smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(CNC(=O)c2ccc(C(C)C)cc2[O-])n1C ZINC001346620852 936854333 /nfs/dbraw/zinc/85/43/33/936854333.db2.gz RJUDWNHDAIPPDJ-UHFFFAOYSA-N -1 3 286.375 3.093 20 0 CGADHM CCCn1cc(C(=O)Nc2c([O-])cccc2Cl)c(C)n1 ZINC001347105139 936870011 /nfs/dbraw/zinc/87/00/11/936870011.db2.gz MWOXTSHKHBZMAI-UHFFFAOYSA-N -1 3 293.754 3.213 20 0 CGADHM Cc1nc(C(=O)[N-]c2cnoc2C(C)C)sc1C ZINC001347306890 936878654 /nfs/dbraw/zinc/87/86/54/936878654.db2.gz KPDJHRNDTTYYDN-UHFFFAOYSA-N -1 3 265.338 3.124 20 0 CGADHM CC(C)c1ccc(C(=O)Nc2cccc([O-])c2F)c(=O)[nH]1 ZINC001362156755 937230411 /nfs/dbraw/zinc/23/04/11/937230411.db2.gz RSPZMAGJFCADJP-UHFFFAOYSA-N -1 3 290.294 3.008 20 0 CGADHM Cc1cc(=O)[n-]c(CSCc2csc(C3CC3)n2)n1 ZINC000759140280 928873264 /nfs/dbraw/zinc/87/32/64/928873264.db2.gz VMUHNLWIJRBOAS-UHFFFAOYSA-N -1 3 293.417 3.258 20 0 CGADHM CSc1ccsc1C(=O)[N-]c1c(F)ccnc1F ZINC001436553733 937282487 /nfs/dbraw/zinc/28/24/87/937282487.db2.gz KLYLGXRDVCMNIJ-UHFFFAOYSA-N -1 3 286.328 3.396 20 0 CGADHM CSc1ccc([O-])c(C(=O)NCC2CCCCC2)c1 ZINC001440711039 937332727 /nfs/dbraw/zinc/33/27/27/937332727.db2.gz AVDGAXNKNJBXTF-UHFFFAOYSA-N -1 3 279.405 3.424 20 0 CGADHM Nc1cc(F)c(F)cc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC001546000581 937371311 /nfs/dbraw/zinc/37/13/11/937371311.db2.gz UMWSSTIXRDRODI-UHFFFAOYSA-N -1 3 298.676 3.158 20 0 CGADHM CC(=O)c1cc(NC(=O)c2cccc([O-])c2)ccc1C ZINC001452496975 937395024 /nfs/dbraw/zinc/39/50/24/937395024.db2.gz WZUVRNMUISEBQB-UHFFFAOYSA-N -1 3 269.300 3.156 20 0 CGADHM CCc1ccc(C(=O)NC[C@@H]2CC[C@@H]3C[C@@H]3C2)c([O-])c1 ZINC001453978865 937405820 /nfs/dbraw/zinc/40/58/20/937405820.db2.gz VEVQAYJWUKHWIG-MCIONIFRSA-N -1 3 273.376 3.121 20 0 CGADHM CCc1cccc(C(=O)N[C@H](C)c2cnc(C)s2)c1[O-] ZINC001454618377 937410102 /nfs/dbraw/zinc/41/01/02/937410102.db2.gz KATRMDWMSLUFKD-SECBINFHSA-N -1 3 290.388 3.211 20 0 CGADHM C[C@@H]1CCCN(Cc2cc(F)c([O-])c(F)c2)[C@@H]1C ZINC000133711214 931973501 /nfs/dbraw/zinc/97/35/01/931973501.db2.gz HFOBVBKPYYWVPL-NXEZZACHSA-N -1 3 255.308 3.291 20 0 CGADHM Cc1ccc(C)c(CCNc2ccccc2-c2nnn[n-]2)c1 ZINC001161831695 931986902 /nfs/dbraw/zinc/98/69/02/931986902.db2.gz GUOMRTVARDDMGO-UHFFFAOYSA-N -1 3 293.374 3.138 20 0 CGADHM Cc1ccc(C)c(CCNc2ccccc2-c2nn[n-]n2)c1 ZINC001161831695 931986908 /nfs/dbraw/zinc/98/69/08/931986908.db2.gz GUOMRTVARDDMGO-UHFFFAOYSA-N -1 3 293.374 3.138 20 0 CGADHM CC(=O)c1cc(C(C)C)c([O-])cc1O[C@H]1CCOC[C@H]1F ZINC001228960263 932060297 /nfs/dbraw/zinc/06/02/97/932060297.db2.gz ZSFCBFTTXQXAOR-HIFRSBDPSA-N -1 3 296.338 3.224 20 0 CGADHM CCCC[C@H](CC)Oc1ccc(-c2nnn[n-]2)cc1OC ZINC001229337635 932135613 /nfs/dbraw/zinc/13/56/13/932135613.db2.gz IENYFPWEWMVCTI-LBPRGKRZSA-N -1 3 290.367 3.223 20 0 CGADHM CCCC[C@H](CC)Oc1ccc(-c2nn[n-]n2)cc1OC ZINC001229337635 932135615 /nfs/dbraw/zinc/13/56/15/932135615.db2.gz IENYFPWEWMVCTI-LBPRGKRZSA-N -1 3 290.367 3.223 20 0 CGADHM CCOC[C@H](C)Oc1nc(=S)[n-]c2scc(C)c21 ZINC001229352091 932139017 /nfs/dbraw/zinc/13/90/17/932139017.db2.gz GMYMVJKLDRDOGT-QMMMGPOBSA-N -1 3 284.406 3.092 20 0 CGADHM C[C@@H]1CCC[C@H](Oc2ccccc2-c2nnn[n-]2)[C@H]1C ZINC001229955829 932510251 /nfs/dbraw/zinc/51/02/51/932510251.db2.gz ZOUMUXBJPWHGIR-MDZLAQPJSA-N -1 3 272.352 3.070 20 0 CGADHM C[C@@H]1CCC[C@H](Oc2ccccc2-c2nn[n-]n2)[C@H]1C ZINC001229955829 932510255 /nfs/dbraw/zinc/51/02/55/932510255.db2.gz ZOUMUXBJPWHGIR-MDZLAQPJSA-N -1 3 272.352 3.070 20 0 CGADHM Cc1ccc([C@H](C)Oc2ccccc2-c2nnn[n-]2)cc1 ZINC001229955621 932510402 /nfs/dbraw/zinc/51/04/02/932510402.db2.gz WKNSZANJDXFIMT-LBPRGKRZSA-N -1 3 280.331 3.315 20 0 CGADHM Cc1ccc([C@H](C)Oc2ccccc2-c2nn[n-]n2)cc1 ZINC001229955621 932510406 /nfs/dbraw/zinc/51/04/06/932510406.db2.gz WKNSZANJDXFIMT-LBPRGKRZSA-N -1 3 280.331 3.315 20 0 CGADHM CCCCN(Cc1ccc([O-])c(F)c1F)C1CC1 ZINC001461898413 937604821 /nfs/dbraw/zinc/60/48/21/937604821.db2.gz MOXRMJBMZVYXQB-UHFFFAOYSA-N -1 3 255.308 3.435 20 0 CGADHM C[C@H](Oc1nc(=O)[n-]c2c1SCC2)c1ccccc1F ZINC001230789709 932624442 /nfs/dbraw/zinc/62/44/42/932624442.db2.gz CRGGLEWTQIZVEZ-QMMMGPOBSA-N -1 3 292.335 3.110 20 0 CGADHM O=c1nc2cccc(F)c2c(OC(C2CC2)C2CC2)[n-]1 ZINC001231074631 932673081 /nfs/dbraw/zinc/67/30/81/932673081.db2.gz QEAUGGSRHXTHTB-UHFFFAOYSA-N -1 3 274.295 3.042 20 0 CGADHM CCOC(=O)c1c(Cl)[n-]c(=O)cc1O[C@H]1CC[C@H](C)C1 ZINC001231091572 932677199 /nfs/dbraw/zinc/67/71/99/932677199.db2.gz XFRCFEIMPFEVNU-IUCAKERBSA-N -1 3 299.754 3.185 20 0 CGADHM Cc1ccc(C(=O)Nc2ccc3c(c2)C[C@@H](C)O3)c([O-])c1 ZINC001304220074 932847646 /nfs/dbraw/zinc/84/76/46/932847646.db2.gz HVUHZOFOJIDUFS-LLVKDONJSA-N -1 3 283.327 3.276 20 0 CGADHM CC1(C)CCC(C)(CNC(=O)c2c([O-])cccc2O)CC1 ZINC001306857126 932889759 /nfs/dbraw/zinc/88/97/59/932889759.db2.gz COVRKYOVBXDZLS-UHFFFAOYSA-N -1 3 291.391 3.434 20 0 CGADHM O=C(Nc1ccc(Cl)cc1[O-])c1cncc(Cl)c1 ZINC001466631311 937710958 /nfs/dbraw/zinc/71/09/58/937710958.db2.gz JWGOMDIEUQANHY-UHFFFAOYSA-N -1 3 283.114 3.346 20 0 CGADHM O=C(CC(C1CC1)C1CC1)Nc1cccc([O-])c1F ZINC001319584557 933895158 /nfs/dbraw/zinc/89/51/58/933895158.db2.gz XGAWQJUKHLCEEY-UHFFFAOYSA-N -1 3 263.312 3.296 20 0 CGADHM CC[C@@H]1CCC[C@]1(C)C(=O)[N-]OCc1ccccc1OC ZINC001467568790 937719153 /nfs/dbraw/zinc/71/91/53/937719153.db2.gz GBEZWZXOBRSQON-PBHICJAKSA-N -1 3 291.391 3.459 20 0 CGADHM COC(=O)c1ccc(NC(=O)c2ccc(C)cc2[O-])c(C)c1 ZINC001320511046 934056551 /nfs/dbraw/zinc/05/65/51/934056551.db2.gz KOPORFREKAYXMQ-UHFFFAOYSA-N -1 3 299.326 3.048 20 0 CGADHM O=C(NCc1cccc(C(F)F)c1)c1ccccc1[O-] ZINC001320832475 934110168 /nfs/dbraw/zinc/11/01/68/934110168.db2.gz GHHYUVPGBAKBOH-UHFFFAOYSA-N -1 3 277.270 3.260 20 0 CGADHM CC(C)[C@H](CC(=O)[O-])NCc1csc(C(C)(C)C)n1 ZINC001320872233 934115143 /nfs/dbraw/zinc/11/51/43/934115143.db2.gz JWXHBVYZCQHVNM-NSHDSACASA-N -1 3 284.425 3.030 20 0 CGADHM CO[C@H](CNC(=O)c1c(C)cccc1[O-])C1CCCCC1 ZINC001470495092 937754256 /nfs/dbraw/zinc/75/42/56/937754256.db2.gz QXKBLRUOEUOPDS-OAHLLOKOSA-N -1 3 291.391 3.026 20 0 CGADHM O=C(Nc1cccc2ocnc21)c1cc([O-])ccc1Cl ZINC001471034913 937760886 /nfs/dbraw/zinc/76/08/86/937760886.db2.gz IRLWAWCXIRTTTD-UHFFFAOYSA-N -1 3 288.690 3.439 20 0 CGADHM CC[C@@H](NC(=O)c1cc([O-])ccc1Cl)C(F)(F)F ZINC001472459385 937776337 /nfs/dbraw/zinc/77/63/37/937776337.db2.gz DTLNQMSOWIKUIC-SECBINFHSA-N -1 3 281.661 3.116 20 0 CGADHM CCc1cc(=O)[n-]c(CN2CCC(CCC(C)C)CC2)n1 ZINC001473226624 937798109 /nfs/dbraw/zinc/79/81/09/937798109.db2.gz BQIHVTWUIUVCFF-UHFFFAOYSA-N -1 3 291.439 3.393 20 0 CGADHM CCC(CC)(CNCc1csc(C(C)C)n1)C(=O)[O-] ZINC001331925348 935423493 /nfs/dbraw/zinc/42/34/93/935423493.db2.gz RCPPIYLSTFWNBK-UHFFFAOYSA-N -1 3 284.425 3.247 20 0 CGADHM CCC1(NC(=O)c2c[n-]c3ccccc3c2=O)CCCCC1 ZINC001338185088 936309817 /nfs/dbraw/zinc/30/98/17/936309817.db2.gz XWJIFUCXDDEVMT-UHFFFAOYSA-N -1 3 298.386 3.371 20 0 CGADHM Cc1nocc1[N-]C(=O)c1oc2c(cccc2F)c1C ZINC001530847499 938079718 /nfs/dbraw/zinc/07/97/18/938079718.db2.gz TVQDLHLWYXZXKY-UHFFFAOYSA-N -1 3 274.251 3.429 20 0 CGADHM Cc1cnc([N-]C(=O)c2cc(-c3ccc(F)cc3)no2)o1 ZINC001531490545 938082077 /nfs/dbraw/zinc/08/20/77/938082077.db2.gz RMIHNUAUZWQTCB-UHFFFAOYSA-N -1 3 287.250 3.029 20 0 CGADHM Cc1sccc1NC(=O)c1c[n-]c2ccccc2c1=O ZINC001535292387 938099903 /nfs/dbraw/zinc/09/99/03/938099903.db2.gz YQJJQVJOMREOHA-UHFFFAOYSA-N -1 3 284.340 3.150 20 0 CGADHM CC(=O)c1ncc(C(=O)[N-]c2cscc2Cl)s1 ZINC001537302985 938109333 /nfs/dbraw/zinc/10/93/33/938109333.db2.gz ONSWWSJEQYARFQ-UHFFFAOYSA-N -1 3 286.765 3.313 20 0 CGADHM Cc1nc([C@@H]2CCCCN2C[C@@H]2C[C@H]2C(=O)[O-])sc1C ZINC001550703164 938170308 /nfs/dbraw/zinc/17/03/08/938170308.db2.gz NJHVXHPKCGMZFO-XQQFMLRXSA-N -1 3 294.420 3.008 20 0 CGADHM COc1cccc([O-])c1C(=O)N1CC[C@@H]1C1CCCCC1 ZINC001551752274 938185376 /nfs/dbraw/zinc/18/53/76/938185376.db2.gz RXFLJVDEOOFUPV-CYBMUJFWSA-N -1 3 289.375 3.196 20 0 CGADHM CC[C@@H]1CCN(C(=O)c2c(C)nc[n-]c2=O)c2ccccc21 ZINC001551919867 938188558 /nfs/dbraw/zinc/18/85/58/938188558.db2.gz VJGZRHLZVBWHRP-GFCCVEGCSA-N -1 3 297.358 3.035 20 0 CGADHM CCc1ccc(C(=O)N[C@@H](C)CCC2CC2)c([O-])c1 ZINC001556311693 938203064 /nfs/dbraw/zinc/20/30/64/938203064.db2.gz NTXSOGOEEHKWSQ-NSHDSACASA-N -1 3 261.365 3.263 20 0 CGADHM C[C@@H](NC(=O)c1ccc(O)cc1[O-])c1cccc(C2CC2)c1 ZINC001556776540 938205536 /nfs/dbraw/zinc/20/55/36/938205536.db2.gz IVWBOWWMQGJYNM-LLVKDONJSA-N -1 3 297.354 3.466 20 0 CGADHM COc1nscc1[N-]C(=O)c1sccc1Cl ZINC001558175935 938213947 /nfs/dbraw/zinc/21/39/47/938213947.db2.gz MKWBWTXJGUGPAX-UHFFFAOYSA-N -1 3 274.754 3.119 20 0 CGADHM Cc1cccc([O-])c1C(=O)N[C@@H]1CCCc2ccccc2C1 ZINC001558648531 938216907 /nfs/dbraw/zinc/21/69/07/938216907.db2.gz VBVCTIZCPLIFTI-MRXNPFEDSA-N -1 3 295.382 3.378 20 0 CGADHM CCc1ccc2c(c1)CCN2C(=O)c1cc(C)ccc1[O-] ZINC001558758703 938217532 /nfs/dbraw/zinc/21/75/32/938217532.db2.gz PEZQKVVPZORHKD-UHFFFAOYSA-N -1 3 281.355 3.466 20 0 CGADHM [O-]c1ccc(CNCc2nc3cc(F)ccc3o2)cc1F ZINC001560349703 938254498 /nfs/dbraw/zinc/25/44/98/938254498.db2.gz TWPYMTSICCNPFO-UHFFFAOYSA-N -1 3 290.269 3.101 20 0 CGADHM CSc1ccc([O-])c(C(=O)N2CC[C@@H]2C(C)(C)C)c1 ZINC001353978750 957708342 /nfs/dbraw/zinc/70/83/42/957708342.db2.gz MUXBHKKNXBDPII-CYBMUJFWSA-N -1 3 279.405 3.375 20 0 CGADHM Cc1cc(CNCc2ccccc2C(=O)[O-])cnc1Cl ZINC001594303948 957943062 /nfs/dbraw/zinc/94/30/62/957943062.db2.gz NPFBOTVXKYQOPS-UHFFFAOYSA-N -1 3 290.750 3.031 20 0 CGADHM Cc1cc(F)ccc1CN(C)Cc1ccc(C(=O)[O-])cc1 ZINC000086725364 957977194 /nfs/dbraw/zinc/97/71/94/957977194.db2.gz ZWXJIUXMABAJSR-UHFFFAOYSA-N -1 3 287.334 3.464 20 0 CGADHM CC[C@H](C)[C@@H](C)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000087612781 958022798 /nfs/dbraw/zinc/02/27/98/958022798.db2.gz BQORUZFUSTZARP-YWPYICTPSA-N -1 3 261.365 3.105 20 0 CGADHM C[C@H](NCc1cc(C(=O)[O-])cs1)c1cccc(O)c1 ZINC000095004941 958328827 /nfs/dbraw/zinc/32/88/27/958328827.db2.gz HKGZWGOOTPPZEP-VIFPVBQESA-N -1 3 277.345 3.003 20 0 CGADHM Cc1cccc([C@H](NCc2cc(F)ccc2C)C(=O)[O-])c1 ZINC001594398756 958811861 /nfs/dbraw/zinc/81/18/61/958811861.db2.gz ZTXAAAYTWDMEKP-INIZCTEOSA-N -1 3 287.334 3.358 20 0 CGADHM CC(C)C1CCN(Cc2cc(C(=O)[O-])ccc2F)CC1 ZINC000232540699 960280929 /nfs/dbraw/zinc/28/09/29/960280929.db2.gz YTLRUJSCAJBNRR-UHFFFAOYSA-N -1 3 279.355 3.392 20 0 CGADHM Cc1ccc([C@@H](C)NCc2ccoc2C(=O)[O-])s1 ZINC000235221649 960400103 /nfs/dbraw/zinc/40/01/03/960400103.db2.gz RLERCRUAEHBMHA-SECBINFHSA-N -1 3 265.334 3.199 20 0 CGADHM COc1ccc(C(=O)NCCCCC2CCCC2)c([O-])c1 ZINC001566096549 960548293 /nfs/dbraw/zinc/54/82/93/960548293.db2.gz BXMQCKDHEHIFQV-UHFFFAOYSA-N -1 3 291.391 3.491 20 0 CGADHM Nc1ccc(F)cc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC001567234119 961148433 /nfs/dbraw/zinc/14/84/33/961148433.db2.gz DIZYTGKMDCECJD-UHFFFAOYSA-N -1 3 280.686 3.019 20 0 CGADHM CSc1ccc([O-])c(C(=O)N[C@H]2C[C@@H]2c2ccccc2)c1 ZINC001568335116 961550901 /nfs/dbraw/zinc/55/09/01/961550901.db2.gz XEGYDWIOACFGNK-HIFRSBDPSA-N -1 3 299.395 3.400 20 0 CGADHM CC[C@@H]1CCC[C@H]1CNC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC001569218958 961718715 /nfs/dbraw/zinc/71/87/15/961718715.db2.gz MJSVPXOZWJDTIZ-OCCSQVGLSA-N -1 3 289.375 3.151 20 0 CGADHM O=C(Nc1c([O-])cccc1Cl)c1cnc2cc[nH]c2c1 ZINC001569682370 961817787 /nfs/dbraw/zinc/81/77/87/961817787.db2.gz LTEUYPMNMKKEDS-UHFFFAOYSA-N -1 3 287.706 3.174 20 0 CGADHM C[C@@H](C(=O)Nc1c([O-])cccc1Cl)c1ccncc1 ZINC001569682376 961818818 /nfs/dbraw/zinc/81/88/18/961818818.db2.gz LUOUFOKKOIOIOK-SECBINFHSA-N -1 3 276.723 3.183 20 0 CGADHM CC(C)=CCCSc1ccc(-c2nnn[n-]2)cc1F ZINC001573942974 962291338 /nfs/dbraw/zinc/29/13/38/962291338.db2.gz RKZISOGWMNWVMC-UHFFFAOYSA-N -1 3 278.356 3.454 20 0 CGADHM CC(C)=CCCSc1ccc(-c2nn[n-]n2)cc1F ZINC001573942974 962291352 /nfs/dbraw/zinc/29/13/52/962291352.db2.gz RKZISOGWMNWVMC-UHFFFAOYSA-N -1 3 278.356 3.454 20 0 CGADHM Cc1cccc(CSc2nc(C)ccc2-c2nnn[n-]2)c1 ZINC001581241223 962750600 /nfs/dbraw/zinc/75/06/00/962750600.db2.gz YZERMQGTDCHAEZ-UHFFFAOYSA-N -1 3 297.387 3.171 20 0 CGADHM Cc1cccc(CSc2nc(C)ccc2-c2nn[n-]n2)c1 ZINC001581241223 962750612 /nfs/dbraw/zinc/75/06/12/962750612.db2.gz YZERMQGTDCHAEZ-UHFFFAOYSA-N -1 3 297.387 3.171 20 0 CGADHM Cc1cc(N[C@H]2C[C@@H]3CCCC[C@@H]32)cc(-c2nnn[n-]2)c1 ZINC001581010874 962755431 /nfs/dbraw/zinc/75/54/31/962755431.db2.gz XYDADYLDYLUOND-CQDKDKBSSA-N -1 3 283.379 3.166 20 0 CGADHM Cc1cc(N[C@H]2C[C@@H]3CCCC[C@@H]32)cc(-c2nn[n-]n2)c1 ZINC001581010874 962755447 /nfs/dbraw/zinc/75/54/47/962755447.db2.gz XYDADYLDYLUOND-CQDKDKBSSA-N -1 3 283.379 3.166 20 0 CGADHM Cc1cc(OCCC2CCCC2)ccc1-c1nn[n-]n1 ZINC001581042886 962756782 /nfs/dbraw/zinc/75/67/82/962756782.db2.gz NKGUDYXPSRTYKY-UHFFFAOYSA-N -1 3 272.352 3.134 20 0 CGADHM C/C(=C/c1ccccc1)CN(C)Cc1ccc(C(=O)[O-])[nH]1 ZINC001589003525 963337049 /nfs/dbraw/zinc/33/70/49/963337049.db2.gz CQMYTYJFNDAEDW-RAXLEYEMSA-N -1 3 284.359 3.248 20 0 CGADHM CC[C@H](C)C[C@H](C)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC000315346262 963886100 /nfs/dbraw/zinc/88/61/00/963886100.db2.gz OTXHEZZWGOGMSX-GUBZILKMSA-N -1 3 270.398 3.317 20 0 CGADHM CC(C)C[C@@H](C)COc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001589550295 964002308 /nfs/dbraw/zinc/00/23/08/964002308.db2.gz VIRBDDWIHFFWKP-SNVBAGLBSA-N -1 3 278.331 3.067 20 0 CGADHM CC(C)C[C@@H](C)COc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001589550295 964002321 /nfs/dbraw/zinc/00/23/21/964002321.db2.gz VIRBDDWIHFFWKP-SNVBAGLBSA-N -1 3 278.331 3.067 20 0 CGADHM CCC[C@@H](NCc1ccc(C(=O)[O-])cc1)c1cccnc1 ZINC001589634937 964007615 /nfs/dbraw/zinc/00/76/15/964007615.db2.gz ZFQSBDZYPXTWOD-MRXNPFEDSA-N -1 3 284.359 3.411 20 0 CGADHM C[C@H](C1CC1)N(Cc1nc2cc(C(=O)[O-])ccc2[nH]1)C1CC1 ZINC001592181706 977110176 /nfs/dbraw/zinc/11/01/76/977110176.db2.gz YLFQXQNZDLKCPW-SNVBAGLBSA-N -1 3 299.374 3.024 20 0 CGADHM CC[C@](NCC=C(Cl)Cl)(C(=O)[O-])c1ccccc1 ZINC001595292547 980398360 /nfs/dbraw/zinc/39/83/60/980398360.db2.gz QVOAMCUVXOARSR-CYBMUJFWSA-N -1 3 288.174 3.285 20 0 CGADHM CC[C@H](C)[C@H](N[C@H](C(F)F)C1CCCCC1)C(=O)[O-] ZINC001594911891 982418848 /nfs/dbraw/zinc/41/88/48/982418848.db2.gz DVNZHSSLYBKJJM-DLOVCJGASA-N -1 3 277.355 3.289 20 0 CGADHM CCCN(CC1CC1)[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001595870156 982848896 /nfs/dbraw/zinc/84/88/96/982848896.db2.gz AKNAEPCTZNSZQE-VIFPVBQESA-N -1 3 268.382 3.024 20 0 CGADHM Cc1[nH]c(CNCc2ccc(C(F)F)cc2)cc1C(=O)[O-] ZINC001599963618 985849781 /nfs/dbraw/zinc/84/97/81/985849781.db2.gz PHBKZJMVRACTAP-UHFFFAOYSA-N -1 3 294.301 3.249 20 0 CGADHM CC(C)(C)[C@H]1CCN(Cc2cc(C(=O)[O-])cs2)CCO1 ZINC001589732551 987963272 /nfs/dbraw/zinc/96/32/72/987963272.db2.gz TVMAGVWDZSVKSV-CYBMUJFWSA-N -1 3 297.420 3.083 20 0 CGADHM COc1ccccc1[C@@H](C)N[C@@H](C(=O)[O-])c1ccccc1C ZINC001599718725 991500730 /nfs/dbraw/zinc/50/07/30/991500730.db2.gz VAXXNRXSGKMFDK-CXAGYDPISA-N -1 3 299.370 3.480 20 0 CGADHM CN(Cc1ccc(C(=O)[O-])cn1)[C@H]1C=CCCCCC1 ZINC001598515945 992617490 /nfs/dbraw/zinc/61/74/90/992617490.db2.gz WKZBQKDFOHTCEG-HNNXBMFYSA-N -1 3 274.364 3.101 20 0 CGADHM C[C@H](N[C@@H](C)c1cccnc1)c1cc(C(=O)[O-])cs1 ZINC001593199719 994180694 /nfs/dbraw/zinc/18/06/94/994180694.db2.gz ZDFRNQDIAKLZRW-UWVGGRQHSA-N -1 3 276.361 3.253 20 0 CGADHM Cc1ccc([O-])c(CNc2ccccc2OCC2CC2)n1 ZINC000124346620 187133763 /nfs/dbraw/zinc/13/37/63/187133763.db2.gz QHZNPRNNVOEULY-UHFFFAOYSA-N -1 3 284.359 3.497 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CC3CC2(c2ccccc2)C3)c1 ZINC000621013971 349443570 /nfs/dbraw/zinc/44/35/70/349443570.db2.gz FBGAJBXZBGCGRT-UHFFFAOYSA-N -1 3 293.366 3.462 20 0 CGADHM Cc1cccc([O-])c1NC(=O)C[C@@H]1CCO[C@H](C(C)C)C1 ZINC000273073358 192037275 /nfs/dbraw/zinc/03/72/75/192037275.db2.gz FVSLEQJJTJTJCR-HIFRSBDPSA-N -1 3 291.391 3.480 20 0 CGADHM CC(C)(C)c1ccc(NC(=O)[C@H]2CCC[C@@H](O)C2)c([O-])c1 ZINC000337654816 214200126 /nfs/dbraw/zinc/20/01/26/214200126.db2.gz MPWDJUKAGCKKAD-WCQYABFASA-N -1 3 291.391 3.179 20 0 CGADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1CCC[C@H]1C1CC1 ZINC000621854739 349597557 /nfs/dbraw/zinc/59/75/57/349597557.db2.gz GWRSKYDTUHJSKW-ZDUSSCGKSA-N -1 3 299.292 3.426 20 0 CGADHM CCN(C(=O)c1cc([O-])cc(C(F)(F)F)c1)C1CC1 ZINC000621916692 349607352 /nfs/dbraw/zinc/60/73/52/349607352.db2.gz UVCSEORLOGZUAL-UHFFFAOYSA-N -1 3 273.254 3.036 20 0 CGADHM Cc1ccc2c(c1)N(C(=O)c1cc(-c3ccco3)[n-]n1)CC2 ZINC000622062105 349625038 /nfs/dbraw/zinc/62/50/38/349625038.db2.gz OKBQQFXOCBUGHE-UHFFFAOYSA-N -1 3 293.326 3.181 20 0 CGADHM Cc1ccc2c(c1)N(C(=O)c1cc(-c3ccco3)n[n-]1)CC2 ZINC000622062105 349625040 /nfs/dbraw/zinc/62/50/40/349625040.db2.gz OKBQQFXOCBUGHE-UHFFFAOYSA-N -1 3 293.326 3.181 20 0 CGADHM COc1ccc(NC(=O)[C@@H]2C[C@H]2C2CCCC2)c([O-])c1 ZINC000651854701 398297363 /nfs/dbraw/zinc/29/73/63/398297363.db2.gz WVGUXFGADXVAQC-QWHCGFSZSA-N -1 3 275.348 3.166 20 0 CGADHM COc1ccc(NC(=O)[C@H]2C[C@@H]2C2CCCC2)c([O-])c1 ZINC000651854700 398297547 /nfs/dbraw/zinc/29/75/47/398297547.db2.gz WVGUXFGADXVAQC-OLZOCXBDSA-N -1 3 275.348 3.166 20 0 CGADHM O=C(c1cc(F)c[n-]c1=O)N1CCCC[C@@H]1CC1CCC1 ZINC000622181907 349642882 /nfs/dbraw/zinc/64/28/82/349642882.db2.gz MUIUNNMAMBMJNK-CYBMUJFWSA-N -1 3 292.354 3.111 20 0 CGADHM Cc1nc2cc(C(=O)Nc3c(C)cccc3[O-])ccc2o1 ZINC000350805895 219063013 /nfs/dbraw/zinc/06/30/13/219063013.db2.gz LNVCOHBAXIHTIV-UHFFFAOYSA-N -1 3 282.299 3.403 20 0 CGADHM CO[C@H](C)CNC(=O)c1cc(C(C)C)cc(C(C)C)c1[O-] ZINC000622546071 349686062 /nfs/dbraw/zinc/68/60/62/349686062.db2.gz FTFLVKCKYYZJIG-GFCCVEGCSA-N -1 3 293.407 3.404 20 0 CGADHM CCc1cccc(C(=O)Nc2cnc(CC(C)C)nc2)c1[O-] ZINC000622570822 349686609 /nfs/dbraw/zinc/68/66/09/349686609.db2.gz UKWXYFKUQAXGLC-UHFFFAOYSA-N -1 3 299.374 3.195 20 0 CGADHM CCc1ccc([O-])c(C(=O)NCc2cscc2C)c1 ZINC000622563379 349687094 /nfs/dbraw/zinc/68/70/94/349687094.db2.gz BVQJVWSLVNGBNY-UHFFFAOYSA-N -1 3 275.373 3.255 20 0 CGADHM Cc1nc(NC(=O)c2cc3c(cc2[O-])CCCC3)cs1 ZINC000622461066 349681084 /nfs/dbraw/zinc/68/10/84/349681084.db2.gz BUSQKPJCFGGVGY-UHFFFAOYSA-N -1 3 288.372 3.288 20 0 CGADHM O=C(NCc1cc(C2CC2)ccc1F)c1ccccc1[O-] ZINC000622628998 349691542 /nfs/dbraw/zinc/69/15/42/349691542.db2.gz VBHCPTFKJXKERY-UHFFFAOYSA-N -1 3 285.318 3.339 20 0 CGADHM CCc1ccc(-c2nc([C@H]3CCOC[C@H]3C)no2)c([O-])c1 ZINC000436880509 529577743 /nfs/dbraw/zinc/57/77/43/529577743.db2.gz KAOBKQIWLJWPPM-PWSUYJOCSA-N -1 3 288.347 3.145 20 0 CGADHM CCc1ccc(C(=O)Nc2cc(F)ccc2OC)c([O-])c1 ZINC000436838455 529609329 /nfs/dbraw/zinc/60/93/29/529609329.db2.gz KRLACYBBIBBMMF-UHFFFAOYSA-N -1 3 289.306 3.355 20 0 CGADHM CCc1ccc(C(=O)N2CCC[C@H]2C2CCC2)c([O-])c1 ZINC000191037184 529596905 /nfs/dbraw/zinc/59/69/05/529596905.db2.gz KYEDNXSJXLDNPI-HNNXBMFYSA-N -1 3 273.376 3.359 20 0 CGADHM CCc1ccccc1NC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000436529218 529600300 /nfs/dbraw/zinc/60/03/00/529600300.db2.gz ZZNIKKOKEIGKHC-UHFFFAOYSA-N -1 3 283.327 3.410 20 0 CGADHM CC[C@@H](NC(=O)c1ccc(O)cc1[O-])c1ccc(C)cc1 ZINC000436657977 529670185 /nfs/dbraw/zinc/67/01/85/529670185.db2.gz KEPDZSOGXGYDRI-OAHLLOKOSA-N -1 3 285.343 3.287 20 0 CGADHM Cc1ncsc1NC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000436977184 282236149 /nfs/dbraw/zinc/23/61/49/282236149.db2.gz QRHJPQIILFKMPV-UHFFFAOYSA-N -1 3 288.372 3.288 20 0 CGADHM O=c1[n-]c(-c2ccc(Cl)s2)nc2cccc(F)c12 ZINC000591726996 346934766 /nfs/dbraw/zinc/93/47/66/346934766.db2.gz TXEINYCIAVAITH-UHFFFAOYSA-N -1 3 280.711 3.444 20 0 CGADHM C[C@H]1CC[C@H](CCC(=O)N2CCCc3cccc([O-])c32)O1 ZINC000155576417 136395808 /nfs/dbraw/zinc/39/58/08/136395808.db2.gz WGRQFDBLYOJXOY-GXTWGEPZSA-N -1 3 289.375 3.019 20 0 CGADHM Cc1c([N-]c2nc3ccccc3o2)cnn1C1CCOCC1 ZINC000295020846 199304701 /nfs/dbraw/zinc/30/47/01/199304701.db2.gz UVJGRPKYTVEMLE-UHFFFAOYSA-N -1 3 298.346 3.428 20 0 CGADHM CCc1nc(Cc2noc(-c3ccccc3[O-])n2)cs1 ZINC000436921113 529741838 /nfs/dbraw/zinc/74/18/38/529741838.db2.gz SDZQLCQDVWHCAR-UHFFFAOYSA-N -1 3 287.344 3.052 20 0 CGADHM CN(CC1CC1)C(=O)CCc1ccc2ccccc2c1[O-] ZINC000448733423 529860283 /nfs/dbraw/zinc/86/02/83/529860283.db2.gz FCPMDDKHOJTUKT-UHFFFAOYSA-N -1 3 283.371 3.346 20 0 CGADHM CCCCn1c(=O)[n-]nc1SCc1cccc(F)c1F ZINC000029616670 344918466 /nfs/dbraw/zinc/91/84/66/344918466.db2.gz OPDGYGCSPWMETE-UHFFFAOYSA-N -1 3 299.346 3.354 20 0 CGADHM CC1CCC(N(C)C(=O)c2cc(=O)c3ccccc3[n-]2)CC1 ZINC000041821877 344974026 /nfs/dbraw/zinc/97/40/26/344974026.db2.gz ZFQVPHRVESRTNG-UHFFFAOYSA-N -1 3 298.386 3.179 20 0 CGADHM CCCCN(Cc1cc(C(=O)[O-])c(C)o1)C1CC1 ZINC000042490659 344984403 /nfs/dbraw/zinc/98/44/03/344984403.db2.gz GPUBXAISCCZHDW-UHFFFAOYSA-N -1 3 251.326 3.051 20 0 CGADHM O=c1nc(-c2ccccn2)[n-]c2sc3c(c21)CCCCC3 ZINC000046703197 345042825 /nfs/dbraw/zinc/04/28/25/345042825.db2.gz QOAKLEBCNFLZCA-UHFFFAOYSA-N -1 3 297.383 3.316 20 0 CGADHM Cc1noc(C)c1[N-]C(=O)c1csc(-c2ccoc2)n1 ZINC000336925027 282390656 /nfs/dbraw/zinc/39/06/56/282390656.db2.gz UQECMRRMSSPIQC-UHFFFAOYSA-N -1 3 289.316 3.260 20 0 CGADHM CC(C)[C@H](C)N(C)Cc1ccc(C(=O)[O-])cc1F ZINC000062752193 345240289 /nfs/dbraw/zinc/24/02/89/345240289.db2.gz LWSFOZVVDAPJHH-JTQLQIEISA-N -1 3 253.317 3.000 20 0 CGADHM CCOc1ccccc1CNC(=O)c1ccc(C)cc1[O-] ZINC000065111502 345268124 /nfs/dbraw/zinc/26/81/24/345268124.db2.gz GRGLVGJSPAHWBI-UHFFFAOYSA-N -1 3 285.343 3.029 20 0 CGADHM C[C@@H]1CCC[C@H](NC(=O)c2cc(=O)c3ccccc3[n-]2)[C@@H]1C ZINC000070736771 345393872 /nfs/dbraw/zinc/39/38/72/345393872.db2.gz MOYUUVLPXUIFEB-BZPMIXESSA-N -1 3 298.386 3.083 20 0 CGADHM Cc1cccc([O-])c1C(=O)N[C@H](C)Cc1cccs1 ZINC000623986074 349936487 /nfs/dbraw/zinc/93/64/87/349936487.db2.gz KLDPYMLKGFOMSX-LLVKDONJSA-N -1 3 275.373 3.123 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])c1cccc(O)c1 ZINC000084831102 345743026 /nfs/dbraw/zinc/74/30/26/345743026.db2.gz HMAJEZRTVGPSMN-UHFFFAOYSA-N -1 3 263.680 3.004 20 0 CGADHM Cn1ccc2c1cccc2C(=O)Nc1ccccc1[O-] ZINC000082272470 345721762 /nfs/dbraw/zinc/72/17/62/345721762.db2.gz PPWIZUOLZVKUJH-UHFFFAOYSA-N -1 3 266.300 3.136 20 0 CGADHM CC[C@@H](c1ccc(F)cc1)N1CCSC[C@@H]1CC(=O)[O-] ZINC000091133062 345804953 /nfs/dbraw/zinc/80/49/53/345804953.db2.gz MUQAPLHCHSGSNJ-KBPBESRZSA-N -1 3 297.395 3.169 20 0 CGADHM CCc1ccc([O-])c(C(=O)N(Cc2cccnc2)C(C)C)c1 ZINC000094020613 345894625 /nfs/dbraw/zinc/89/46/25/345894625.db2.gz ZNOQZFQEEZUOHK-UHFFFAOYSA-N -1 3 298.386 3.400 20 0 CGADHM O=C(Nc1ccccc1[O-])c1ncoc1-c1ccccc1 ZINC000112113593 345953066 /nfs/dbraw/zinc/95/30/66/345953066.db2.gz AUGOMNFGQQZFQV-UHFFFAOYSA-N -1 3 280.283 3.300 20 0 CGADHM C[C@@H](c1ccc(C(=O)[O-])o1)N1CC[C@@H](C)[C@@H](C)C1 ZINC000130290236 346056353 /nfs/dbraw/zinc/05/63/53/346056353.db2.gz KEUSYELHIGBYFH-VWYCJHECSA-N -1 3 251.326 3.017 20 0 CGADHM O=C(Nc1ccccc1[O-])c1cccc([N+](=O)[O-])c1Cl ZINC000144173968 346116890 /nfs/dbraw/zinc/11/68/90/346116890.db2.gz NPVCYGNDYDSWPI-UHFFFAOYSA-N -1 3 292.678 3.206 20 0 CGADHM CC[C@H]1CCCC[C@H]1NC(=O)NCc1ccc([O-])c(F)c1 ZINC000156882491 346159992 /nfs/dbraw/zinc/15/99/92/346159992.db2.gz YGPJXTCCJJGVOA-GXTWGEPZSA-N -1 3 294.370 3.299 20 0 CGADHM Cc1ccc([O-])c(CNc2ccc(NC(=O)C(C)C)cc2)n1 ZINC000336854988 213762831 /nfs/dbraw/zinc/76/28/31/213762831.db2.gz SXPDKRIJKNXXSO-UHFFFAOYSA-N -1 3 299.374 3.302 20 0 CGADHM CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000221945149 346298275 /nfs/dbraw/zinc/29/82/75/346298275.db2.gz FUDXGWRSPBTVDO-BBBLOLIVSA-N -1 3 251.292 3.126 20 0 CGADHM Cc1ccc([O-])c(C(=O)NCCc2cc3ccccc3o2)c1 ZINC000303907042 346448203 /nfs/dbraw/zinc/44/82/03/346448203.db2.gz WODQJWIUVGHRSC-UHFFFAOYSA-N -1 3 295.338 3.419 20 0 CGADHM CC(C)(C)c1ncc(C=Cc2cc(=O)[n-]c(C3CC3)n2)cn1 ZINC000428309082 346615451 /nfs/dbraw/zinc/61/54/51/346615451.db2.gz NVLWGYFXQHQQPA-DAXSKMNVSA-N -1 3 296.374 3.318 20 0 CGADHM CCC[C@@]1(C)CCCN(Cc2ccc(C(=O)[O-])cn2)C1 ZINC000584637685 346701801 /nfs/dbraw/zinc/70/18/01/346701801.db2.gz AFBSYUGBDHNBLB-INIZCTEOSA-N -1 3 276.380 3.182 20 0 CGADHM CC[C@@H](c1ccncc1)N(C)C(=O)c1ccccc1[O-] ZINC000128435331 187370598 /nfs/dbraw/zinc/37/05/98/187370598.db2.gz IJZFGSBLPCAUNQ-AWEZNQCLSA-N -1 3 270.332 3.011 20 0 CGADHM Cc1cccc(N(C)C(=O)c2c[n-]c3ccccc3c2=O)c1 ZINC000589125654 346784071 /nfs/dbraw/zinc/78/40/71/346784071.db2.gz GLKFHCNBCIYEQT-UHFFFAOYSA-N -1 3 292.338 3.113 20 0 CGADHM Cc1cccc(N(C)C(=O)c2cnc3ccccc3c2[O-])c1 ZINC000589125654 346784073 /nfs/dbraw/zinc/78/40/73/346784073.db2.gz GLKFHCNBCIYEQT-UHFFFAOYSA-N -1 3 292.338 3.113 20 0 CGADHM COC(=O)c1cc(NC(=O)c2cccc([O-])c2)c(C)cc1C ZINC000351780392 219203424 /nfs/dbraw/zinc/20/34/24/219203424.db2.gz YOUQYHMZZNIYIW-UHFFFAOYSA-N -1 3 299.326 3.048 20 0 CGADHM CC(C)Oc1ccccc1CN(C[C@H](C)C(=O)[O-])C1CC1 ZINC000517160401 535060638 /nfs/dbraw/zinc/06/06/38/535060638.db2.gz FCBSHLWLGLZRML-ZDUSSCGKSA-N -1 3 291.391 3.159 20 0 CGADHM O=c1cc(CSCC2CC=CC2)nc(C2CC2)[n-]1 ZINC000596365971 347434876 /nfs/dbraw/zinc/43/48/76/347434876.db2.gz MANOWMZFYPDARP-UHFFFAOYSA-N -1 3 262.378 3.259 20 0 CGADHM CN(Cc1nc(-c2ccc([O-])cc2)no1)c1ccccc1 ZINC000598520082 347663819 /nfs/dbraw/zinc/66/38/19/347663819.db2.gz VGPOYVZMRKQZFE-UHFFFAOYSA-N -1 3 281.315 3.079 20 0 CGADHM CSc1cc(CNCc2cccc([O-])c2Cl)ccn1 ZINC000339339002 215105684 /nfs/dbraw/zinc/10/56/84/215105684.db2.gz SQKZJYHMCOVMMN-UHFFFAOYSA-N -1 3 294.807 3.452 20 0 CGADHM Cc1ccc(CCNC(=O)c2ccc(C(C)C)cc2[O-])cn1 ZINC000601027997 347853965 /nfs/dbraw/zinc/85/39/65/347853965.db2.gz VHBJHTMSBHHJMJ-UHFFFAOYSA-N -1 3 298.386 3.192 20 0 CGADHM CC(C)OCCCC(=O)Nc1ccc(Cl)cc1[O-] ZINC000273317678 192111139 /nfs/dbraw/zinc/11/11/39/192111139.db2.gz YUZXTBOPRLXWQS-UHFFFAOYSA-N -1 3 271.744 3.189 20 0 CGADHM CSC1CCN(Cc2cccc([O-])c2Cl)CC1 ZINC000602726530 348018493 /nfs/dbraw/zinc/01/84/93/348018493.db2.gz MXBOWZXHVMEOMW-UHFFFAOYSA-N -1 3 271.813 3.373 20 0 CGADHM [O-]c1cc(CSCCCO)cc(C(F)(F)F)c1 ZINC000603335093 348072332 /nfs/dbraw/zinc/07/23/32/348072332.db2.gz RWPYOJYBXMKFTG-UHFFFAOYSA-N -1 3 266.284 3.027 20 0 CGADHM CCc1ccc([O-])c(C(=O)NCC2Cc3ccccc3C2)c1 ZINC000605022973 348144481 /nfs/dbraw/zinc/14/44/81/348144481.db2.gz UAWAYESARRNQBB-UHFFFAOYSA-N -1 3 295.382 3.099 20 0 CGADHM CCC1(C)CCN(C(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC000606720444 348197907 /nfs/dbraw/zinc/19/79/07/348197907.db2.gz REFZAMQYTXUDHA-UHFFFAOYSA-N -1 3 294.370 3.253 20 0 CGADHM Cc1ccc(CN(C(=O)c2cccc(C)c2[O-])C2CC2)o1 ZINC000612550841 348526862 /nfs/dbraw/zinc/52/68/62/348526862.db2.gz CKTTWBZDMRMHAK-UHFFFAOYSA-N -1 3 285.343 3.407 20 0 CGADHM Cc1ccc([O-])c(NC(=O)[C@H]2CCCC3(CC3)C2)n1 ZINC000614165651 348653763 /nfs/dbraw/zinc/65/37/63/348653763.db2.gz YVSIGXVFXDBZGE-NSHDSACASA-N -1 3 260.337 3.005 20 0 CGADHM CCCn1nccc1C(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000613575803 348620226 /nfs/dbraw/zinc/62/02/26/348620226.db2.gz DNAAFJGPKDSVLT-LBPRGKRZSA-N -1 3 299.374 3.153 20 0 CGADHM CCSCc1cc(C(=O)[N-]c2c(O)cccc2F)no1 ZINC000613806974 348633062 /nfs/dbraw/zinc/63/30/62/348633062.db2.gz CIOMLUYBXMGNKI-UHFFFAOYSA-N -1 3 296.323 3.025 20 0 CGADHM O=C(Nc1ccc([O-])cc1Cl)[C@@H]1CCCSC1 ZINC000616939777 348884964 /nfs/dbraw/zinc/88/49/64/348884964.db2.gz MIVJSLCKNQXUSA-MRVPVSSYSA-N -1 3 271.769 3.127 20 0 CGADHM Cc1ccn([C@@H](C)CC(=O)Nc2ccc([O-])cc2Cl)n1 ZINC000616943304 348885979 /nfs/dbraw/zinc/88/59/79/348885979.db2.gz WIZWFTGUQUUKPU-JTQLQIEISA-N -1 3 293.754 3.140 20 0 CGADHM [O-]c1ccc(F)c(CNCCc2ccccc2)c1F ZINC000352003043 219283900 /nfs/dbraw/zinc/28/39/00/219283900.db2.gz JMJWGJIZLACTBC-UHFFFAOYSA-N -1 3 263.287 3.003 20 0 CGADHM O=C(c1cccc([O-])c1)N1CC[C@H](C2CCCCC2)C1 ZINC000618181955 349057552 /nfs/dbraw/zinc/05/75/52/349057552.db2.gz VUKOSTJNCBGJQG-HNNXBMFYSA-N -1 3 273.376 3.435 20 0 CGADHM COc1ccc([O-])c(C(=O)N[C@@H](C)C2CCC(F)CC2)c1 ZINC000619961896 349298744 /nfs/dbraw/zinc/29/87/44/349298744.db2.gz HXPLEIDFCFFXLR-UNXYVOJBSA-N -1 3 295.354 3.047 20 0 CGADHM CC1(C)[C@@H](CNC(=O)c2cc([O-])ccc2Cl)C1(F)F ZINC000619392242 349243082 /nfs/dbraw/zinc/24/30/82/349243082.db2.gz VQDPZYHZNYROAS-SNVBAGLBSA-N -1 3 289.709 3.067 20 0 CGADHM C[C@@H](NC(=O)Cc1ccc([O-])c(F)c1)C1CCC(F)CC1 ZINC000619967098 349300669 /nfs/dbraw/zinc/30/06/69/349300669.db2.gz XYLCHCKNXMVNGW-QFWMXSHPSA-N -1 3 297.345 3.107 20 0 CGADHM Cc1cc(C(=O)N(CCC2CC2)CC2CC2)ccc1[O-] ZINC000620630767 349399815 /nfs/dbraw/zinc/39/98/15/349399815.db2.gz HXXPWGQJXZAEHG-UHFFFAOYSA-N -1 3 273.376 3.353 20 0 CGADHM C[C@@H]1c2cccn2CCN1Cc1cc([O-])ccc1Cl ZINC000625055003 350123500 /nfs/dbraw/zinc/12/35/00/350123500.db2.gz AOHKUCLXBFTCOO-LLVKDONJSA-N -1 3 276.767 3.424 20 0 CGADHM [O-]c1ccc(Cl)c(CN2CCC([C@@H]3CCOC3)CC2)c1 ZINC000625318362 350158174 /nfs/dbraw/zinc/15/81/74/350158174.db2.gz OORNFUYUDOGLIR-CYBMUJFWSA-N -1 3 295.810 3.294 20 0 CGADHM CC[C@]1(C)COCCN1Cc1cc([O-])ccc1Cl ZINC000625273410 350150666 /nfs/dbraw/zinc/15/06/66/350150666.db2.gz NFBZDKUILUTLCJ-CQSZACIVSA-N -1 3 269.772 3.047 20 0 CGADHM [O-]c1ccc(Cl)c(CN2CCC[C@]3(CCOC3)C2)c1 ZINC000625462143 350175121 /nfs/dbraw/zinc/17/51/21/350175121.db2.gz RFDPKOSZCNTNQB-HNNXBMFYSA-N -1 3 281.783 3.048 20 0 CGADHM [O-]c1ccc(Cl)c(CN2CCOC[C@@H]2C2CCC2)c1 ZINC000625508158 350178846 /nfs/dbraw/zinc/17/88/46/350178846.db2.gz VVFOBVSTOXZAGM-OAHLLOKOSA-N -1 3 281.783 3.047 20 0 CGADHM CN(CC1=CCSC1)Cc1cc([O-])ccc1Cl ZINC000625563052 350184242 /nfs/dbraw/zinc/18/42/42/350184242.db2.gz RUKCAWZMICFRDO-UHFFFAOYSA-N -1 3 269.797 3.151 20 0 CGADHM Cc1ccc(C(C)(C)NC(=O)c2c(C)cccc2[O-])cn1 ZINC000626454571 350308279 /nfs/dbraw/zinc/30/82/79/350308279.db2.gz LQYCLDBNLLHMAX-UHFFFAOYSA-N -1 3 284.359 3.069 20 0 CGADHM Cc1cccc([O-])c1C(=O)N[C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000626309870 350293903 /nfs/dbraw/zinc/29/39/03/350293903.db2.gz ONXYRKOORJZLLH-GXTWGEPZSA-N -1 3 291.391 3.024 20 0 CGADHM Cc1cccc([O-])c1C(=O)NCC1CCC(F)(F)CC1 ZINC000626915459 350346910 /nfs/dbraw/zinc/34/69/10/350346910.db2.gz KEWHMDMUVPXWLO-UHFFFAOYSA-N -1 3 283.318 3.256 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CC(C)(C)[C@@H]1c1ccncc1 ZINC000627513973 350362879 /nfs/dbraw/zinc/36/28/79/350362879.db2.gz CJQWDIKXYXQRRH-INIZCTEOSA-N -1 3 296.370 3.319 20 0 CGADHM CCCCN(C(=O)c1cc(=O)[n-]cn1)[C@H]1CCC[C@H](C)C1 ZINC000627542329 350364826 /nfs/dbraw/zinc/36/48/26/350364826.db2.gz IXPNECWRMZRQGM-STQMWFEESA-N -1 3 291.395 3.003 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CCC(c2ccncc2)CC1 ZINC000626664888 350330723 /nfs/dbraw/zinc/33/07/23/350330723.db2.gz SARFJVFNXOEDAO-UHFFFAOYSA-N -1 3 296.370 3.115 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CC(Cc2ccsc2)C1 ZINC000628195168 350435313 /nfs/dbraw/zinc/43/53/13/350435313.db2.gz KJLZNPWBOWBTGB-UHFFFAOYSA-N -1 3 287.384 3.077 20 0 CGADHM CC1(C)C[C@]1(C)NC(=O)c1cc([O-])cc(Br)c1 ZINC000628137858 350407672 /nfs/dbraw/zinc/40/76/72/350407672.db2.gz UIKPNNFRAPUDME-ZDUSSCGKSA-N -1 3 298.180 3.073 20 0 CGADHM C[C@H]1CN(Cc2ccc(C(=O)[O-])s2)C[C@H](C)C1(F)F ZINC000629362995 350678041 /nfs/dbraw/zinc/67/80/41/350678041.db2.gz AJIHZODTBCXFFR-IUCAKERBSA-N -1 3 289.347 3.169 20 0 CGADHM CCc1oc(C(=O)[O-])cc1CN1CCCC(F)(F)CC1 ZINC000629368312 350680317 /nfs/dbraw/zinc/68/03/17/350680317.db2.gz LTAMGJILGUDZIO-UHFFFAOYSA-N -1 3 287.306 3.161 20 0 CGADHM O=C([O-])[C@@H]1CCN(CCCCC(F)(F)F)[C@H]2CCC[C@@H]21 ZINC000629377616 350684216 /nfs/dbraw/zinc/68/42/16/350684216.db2.gz NXROLJHLAIAMDB-UTUOFQBUSA-N -1 3 293.329 3.294 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)[C@@H]2CCC2(C)C)c1-c1ccc(C)cc1 ZINC000630021880 350798237 /nfs/dbraw/zinc/79/82/37/350798237.db2.gz WSXRXQKXIDOJKI-AWEZNQCLSA-N -1 3 297.402 3.490 20 0 CGADHM C[C@H](c1ccccc1)S(=O)(=O)c1ncc(C(C)(C)C)[n-]1 ZINC000630437235 350840638 /nfs/dbraw/zinc/84/06/38/350840638.db2.gz ZCMAWEXKSXBLER-LLVKDONJSA-N -1 3 292.404 3.242 20 0 CGADHM C[C@H](c1ccccc1)S(=O)(=O)c1nc(C(C)(C)C)c[n-]1 ZINC000630437235 350840642 /nfs/dbraw/zinc/84/06/42/350840642.db2.gz ZCMAWEXKSXBLER-LLVKDONJSA-N -1 3 292.404 3.242 20 0 CGADHM C[C@H](NCC1CCCCCC1)c1nc(C(=O)[O-])cs1 ZINC000630463381 350843773 /nfs/dbraw/zinc/84/37/73/350843773.db2.gz BSIXRGIAESDYOM-JTQLQIEISA-N -1 3 282.409 3.462 20 0 CGADHM CC1=CCC[C@H](C)[C@H]1CN[C@@H](C)c1nc(C(=O)[O-])cs1 ZINC000630464754 350844456 /nfs/dbraw/zinc/84/44/56/350844456.db2.gz NNVZBBVQDGTRQC-SRVKXCTJSA-N -1 3 294.420 3.484 20 0 CGADHM Cc1cnc(NCc2c(F)ccc([O-])c2F)s1 ZINC000335677560 212398789 /nfs/dbraw/zinc/39/87/89/212398789.db2.gz OFZNORXJVJDXLV-UHFFFAOYSA-N -1 3 256.277 3.047 20 0 CGADHM CSc1cc(C(=O)[N-]c2c(C)noc2C2CC2)co1 ZINC000632404256 351196474 /nfs/dbraw/zinc/19/64/74/351196474.db2.gz NTPOLSGCMAPDLF-UHFFFAOYSA-N -1 3 278.333 3.428 20 0 CGADHM O=C(N[C@@]12C[C@@H]1CCCC2)c1cc([O-])ccc1Cl ZINC000634089918 351438340 /nfs/dbraw/zinc/43/83/40/351438340.db2.gz MFWHMUNWEZQVHJ-XPTSAGLGSA-N -1 3 265.740 3.108 20 0 CGADHM Cc1nc(COc2ccc3c([O-])coc3c2C)sc1C ZINC000634559711 351514670 /nfs/dbraw/zinc/51/46/70/351514670.db2.gz CTQRBOBINFLHFA-UHFFFAOYSA-N -1 3 289.356 3.222 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)C2=C(C)CCC2)c1-c1ccccc1F ZINC000634422732 351487434 /nfs/dbraw/zinc/48/74/34/351487434.db2.gz NKHXIMAJIOIYEY-UHFFFAOYSA-N -1 3 299.349 3.385 20 0 CGADHM CCc1[n-]n(Cc2ccccc2N(C)C)c(=O)c1C(C)C ZINC000634595507 351532429 /nfs/dbraw/zinc/53/24/29/351532429.db2.gz DLJSBYQNSYZTCE-MRXNPFEDSA-N -1 3 287.407 3.133 20 0 CGADHM C[C@H]1CCc2[n-]n(Cc3ccc(Cl)cc3)c(=O)c21 ZINC000634607441 351540046 /nfs/dbraw/zinc/54/00/46/351540046.db2.gz XHUJGDOSXKZRFV-ZANVPECISA-N -1 3 262.740 3.084 20 0 CGADHM Cc1cccc(-n2[n-]c(-c3ccccc3)c(C(C)C)c2=O)n1 ZINC000634613307 351542046 /nfs/dbraw/zinc/54/20/46/351542046.db2.gz UYIUHGYKBCWPMN-MRXNPFEDSA-N -1 3 293.370 3.413 20 0 CGADHM O=C([O-])CCCCNCc1csc(-c2ccsc2)n1 ZINC000635315062 351649747 /nfs/dbraw/zinc/64/97/47/351649747.db2.gz GPKQGLIZGUTAMT-UHFFFAOYSA-N -1 3 296.417 3.216 20 0 CGADHM CC[C@H](C)CON=C([O-])Nc1nc(C2CC2)cs1 ZINC000291664211 198055475 /nfs/dbraw/zinc/05/54/75/198055475.db2.gz AQBXYUNWDZITIY-QMMMGPOBSA-N -1 3 269.370 3.120 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)Nc1nc(C2CC2)cs1 ZINC000291664211 198055477 /nfs/dbraw/zinc/05/54/77/198055477.db2.gz AQBXYUNWDZITIY-QMMMGPOBSA-N -1 3 269.370 3.120 20 0 CGADHM C[C@@]1(C2CCCCC2)CCN1C(=O)c1ccc(O)cc1[O-] ZINC000636385512 351747768 /nfs/dbraw/zinc/74/77/68/351747768.db2.gz JRHVZPFTMJQMAJ-KRWDZBQOSA-N -1 3 289.375 3.283 20 0 CGADHM CCOc1cc(NC(=O)[N-]OC[C@@H](C)CC)ccc1OC ZINC000291756615 198082060 /nfs/dbraw/zinc/08/20/60/198082060.db2.gz KYZFHRWFYCRVNA-NSHDSACASA-N -1 3 296.367 3.193 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)Nc1ccc2oc(C)nc2c1 ZINC000291967024 198120191 /nfs/dbraw/zinc/12/01/91/198120191.db2.gz XEOORJNAVCMLIO-SECBINFHSA-N -1 3 277.324 3.235 20 0 CGADHM O=C(Cc1cccc(C(F)(F)F)c1)[N-]OC/C=C/Cl ZINC000291988771 198127176 /nfs/dbraw/zinc/12/71/76/198127176.db2.gz ZVPHOTAXJAMWPV-GORDUTHDSA-N -1 3 293.672 3.048 20 0 CGADHM CCc1cc(C(=O)N[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)ccc1[O-] ZINC000292211733 198203843 /nfs/dbraw/zinc/20/38/43/198203843.db2.gz PZFACSRHMYJWAF-BPQIPLTHSA-N -1 3 293.366 3.023 20 0 CGADHM Cc1cccnc1SCc1noc(-c2ccccc2[O-])n1 ZINC000367743712 234247500 /nfs/dbraw/zinc/24/75/00/234247500.db2.gz APRQVSIDWZUYRU-UHFFFAOYSA-N -1 3 299.355 3.438 20 0 CGADHM CCc1cc(C(=O)N(CC(F)F)C(C)C)ccc1[O-] ZINC000292243747 198216140 /nfs/dbraw/zinc/21/61/40/198216140.db2.gz RUKOJLSZBIYVAD-UHFFFAOYSA-N -1 3 271.307 3.070 20 0 CGADHM O=C([N-]OCCC(F)(F)F)C1(Cc2ccccc2)CC1 ZINC000154963889 188172493 /nfs/dbraw/zinc/17/24/93/188172493.db2.gz YBMMDEIXHXQODP-UHFFFAOYSA-N -1 3 287.281 3.010 20 0 CGADHM O=C(c1ccccc1[O-])N1CCC[C@@H](Oc2ccccc2)C1 ZINC000369297664 234367290 /nfs/dbraw/zinc/36/72/90/234367290.db2.gz JWXNDWHCVWKZAX-OAHLLOKOSA-N -1 3 297.354 3.076 20 0 CGADHM [O-]C(=NO[C@H]1CCCCO1)Nc1cccc(Cl)c1F ZINC000155576654 188214553 /nfs/dbraw/zinc/21/45/53/188214553.db2.gz FFRDQZNANGCMFL-JTQLQIEISA-N -1 3 288.706 3.059 20 0 CGADHM O=C([N-]O[C@H]1CCCCO1)Nc1cccc(Cl)c1F ZINC000155576654 188214554 /nfs/dbraw/zinc/21/45/54/188214554.db2.gz FFRDQZNANGCMFL-JTQLQIEISA-N -1 3 288.706 3.059 20 0 CGADHM CC(C)c1ccccc1NC([O-])=NO[C@H]1CCCCO1 ZINC000155454974 188207132 /nfs/dbraw/zinc/20/71/32/188207132.db2.gz DFWYRWUYRBGAQT-AWEZNQCLSA-N -1 3 278.352 3.390 20 0 CGADHM CC(C)c1ccccc1NC(=O)[N-]O[C@H]1CCCCO1 ZINC000155454974 188207134 /nfs/dbraw/zinc/20/71/34/188207134.db2.gz DFWYRWUYRBGAQT-AWEZNQCLSA-N -1 3 278.352 3.390 20 0 CGADHM O=C([N-]OCC1CC1)Nc1ccc(OC2CCC2)c(F)c1 ZINC000292561886 198332882 /nfs/dbraw/zinc/33/28/82/198332882.db2.gz BCEWVSLMKPHABB-UHFFFAOYSA-N -1 3 294.326 3.220 20 0 CGADHM [O-]C(=NOC1CCCC1)Nc1ccccc1N1CCCC1 ZINC000271799993 191334804 /nfs/dbraw/zinc/33/48/04/191334804.db2.gz MERNNMUMLFPLGS-UHFFFAOYSA-N -1 3 289.379 3.283 20 0 CGADHM O=C([N-]OC1CCCC1)Nc1ccccc1N1CCCC1 ZINC000271799993 191334806 /nfs/dbraw/zinc/33/48/06/191334806.db2.gz MERNNMUMLFPLGS-UHFFFAOYSA-N -1 3 289.379 3.283 20 0 CGADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@@H]1CCCC[C@H]1F ZINC000412676488 235202625 /nfs/dbraw/zinc/20/26/25/235202625.db2.gz VJGFNIWDJDEOQL-TZMCWYRMSA-N -1 3 297.345 3.251 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)[C@H]2CCO[C@@H](C)C2)c1[O-] ZINC000271848439 191364602 /nfs/dbraw/zinc/36/46/02/191364602.db2.gz IWQQKJGPVWPFIE-UWVGGRQHSA-N -1 3 283.755 3.108 20 0 CGADHM O=C([O-])CCCCCCCNCc1ccccc1F ZINC000277363140 304046377 /nfs/dbraw/zinc/04/63/77/304046377.db2.gz PZKIRZGHWCVCNR-UHFFFAOYSA-N -1 3 267.344 3.341 20 0 CGADHM COCc1ccc(C=Cc2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC000414083969 235332454 /nfs/dbraw/zinc/33/24/54/235332454.db2.gz WSEUCAVMOWEYNN-TWGQIWQCSA-N -1 3 282.343 3.376 20 0 CGADHM CCO[N-]C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000273562792 192205093 /nfs/dbraw/zinc/20/50/93/192205093.db2.gz CIIDLYCOMOLACE-UHFFFAOYSA-N -1 3 282.649 3.432 20 0 CGADHM Cc1ccc([O-])c(CNc2c(C)cc(N(C)C)cc2C)n1 ZINC000273597310 192223151 /nfs/dbraw/zinc/22/31/51/192223151.db2.gz FBGKYDUFZMLFGH-UHFFFAOYSA-N -1 3 285.391 3.391 20 0 CGADHM Cc1cc(C)cc([C@@H](C)NC(=O)c2ccc3n[n-]nc3c2)c1 ZINC000107270511 138357185 /nfs/dbraw/zinc/35/71/85/138357185.db2.gz SHGLJZIVNWPHSO-GFCCVEGCSA-N -1 3 294.358 3.066 20 0 CGADHM COc1cccc([C@H](C)C(=O)Nc2ccc([O-])cc2F)c1 ZINC000124459597 138374999 /nfs/dbraw/zinc/37/49/99/138374999.db2.gz KBQKNSNCGAEQRO-JTQLQIEISA-N -1 3 289.306 3.282 20 0 CGADHM O=C(c1c([O-])cccc1O)N1CCC(c2ccccc2)CC1 ZINC000125631155 138383695 /nfs/dbraw/zinc/38/36/95/138383695.db2.gz JAGWMAZAJBRFFS-UHFFFAOYSA-N -1 3 297.354 3.118 20 0 CGADHM O=C(Nc1cccc([O-])c1F)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000128285008 138393291 /nfs/dbraw/zinc/39/32/91/138393291.db2.gz KQKWSTSSOLUXDH-NWDGAFQWSA-N -1 3 289.281 3.413 20 0 CGADHM [O-]c1cccc(CN[C@@H]2C[C@H]2C2CCC2)c1Br ZINC000424189722 236131410 /nfs/dbraw/zinc/13/14/10/236131410.db2.gz DTQAGNNZHFRUMJ-NWDGAFQWSA-N -1 3 296.208 3.433 20 0 CGADHM CN(C(=O)Cc1ccc([O-])c(F)c1)[C@@H]1CCc2ccccc21 ZINC000336241967 213073527 /nfs/dbraw/zinc/07/35/27/213073527.db2.gz OCKVFXMYAMTTCM-MRXNPFEDSA-N -1 3 299.345 3.220 20 0 CGADHM Cc1nc(C(C)C)oc1C(=O)Nc1ccc([O-])cc1F ZINC000336238535 213068096 /nfs/dbraw/zinc/06/80/96/213068096.db2.gz OHAWIVHYJBCIPH-UHFFFAOYSA-N -1 3 278.283 3.203 20 0 CGADHM Cc1cc(Cl)ccc1CN1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC000263064193 138566348 /nfs/dbraw/zinc/56/63/48/138566348.db2.gz NNXSCYNKWXZEFI-GWCFXTLKSA-N -1 3 281.783 3.191 20 0 CGADHM CCC(CC)c1nnc([N-]C(=O)c2ccsn2)s1 ZINC000294630966 199113774 /nfs/dbraw/zinc/11/37/74/199113774.db2.gz UIYKYEDHRORZGY-UHFFFAOYSA-N -1 3 282.394 3.151 20 0 CGADHM Cc1ccc(C[C@H](C)NC(=O)c2ccc(O)cc2[O-])c(C)c1 ZINC000436669484 237157353 /nfs/dbraw/zinc/15/73/53/237157353.db2.gz MBHBMTXDXQRBPO-ZDUSSCGKSA-N -1 3 299.370 3.076 20 0 CGADHM CC[C@@H](C)CON=C([O-])Nc1cccc(C2CC2)n1 ZINC000296852091 200015719 /nfs/dbraw/zinc/01/57/19/200015719.db2.gz KMWRKUVLCSDMQT-SNVBAGLBSA-N -1 3 263.341 3.058 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)Nc1cccc(C2CC2)n1 ZINC000296852091 200015720 /nfs/dbraw/zinc/01/57/20/200015720.db2.gz KMWRKUVLCSDMQT-SNVBAGLBSA-N -1 3 263.341 3.058 20 0 CGADHM C[C@@H](NC(=O)c1ccccc1[O-])c1ccc2ncsc2c1 ZINC000436678451 237156758 /nfs/dbraw/zinc/15/67/58/237156758.db2.gz BODXXCCGDXCSIY-SNVBAGLBSA-N -1 3 298.367 3.493 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2C[C@H](C)CC(C)(C)C2)c1 ZINC000436831519 237187697 /nfs/dbraw/zinc/18/76/97/237187697.db2.gz PUATVQQGJDGSRH-GFCCVEGCSA-N -1 3 261.365 3.209 20 0 CGADHM Cc1cccc(C(=O)N[C@H](C)c2ccc3n[nH]cc3c2)c1[O-] ZINC000436696532 237163578 /nfs/dbraw/zinc/16/35/78/237163578.db2.gz HRIDNZSYYMNZAZ-LLVKDONJSA-N -1 3 295.342 3.068 20 0 CGADHM C[C@H](CNC(=O)c1ccccc1[O-])c1ccc(F)cc1 ZINC000436723077 237164586 /nfs/dbraw/zinc/16/45/86/237164586.db2.gz SBECBODSJSXZAI-LLVKDONJSA-N -1 3 273.307 3.065 20 0 CGADHM Cc1ccc(C(=O)NCCO[C@@H]2CCCC[C@@H]2C)c([O-])c1 ZINC000436730531 237169893 /nfs/dbraw/zinc/16/98/93/237169893.db2.gz HAAGKTJJLKBONF-XJKSGUPXSA-N -1 3 291.391 3.026 20 0 CGADHM Cc1ccc(C(=O)N(Cc2ccccn2)C2CC2)c([O-])c1C ZINC000436752727 237174151 /nfs/dbraw/zinc/17/41/51/237174151.db2.gz AXDJZKMLJFHUSY-UHFFFAOYSA-N -1 3 296.370 3.209 20 0 CGADHM COc1cccc([C@H](C)NC(=O)c2ccc(C)cc2[O-])c1 ZINC000436759142 237174630 /nfs/dbraw/zinc/17/46/30/237174630.db2.gz TVMVOLQAOVSSFP-LBPRGKRZSA-N -1 3 285.343 3.200 20 0 CGADHM COCc1ccc(-c2nc(-c3ccc([O-])cc3)no2)cc1 ZINC000436766503 237176880 /nfs/dbraw/zinc/17/68/80/237176880.db2.gz CGLUJDUGWBYMDI-UHFFFAOYSA-N -1 3 282.299 3.256 20 0 CGADHM Cc1ccncc1NC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000436968037 237220426 /nfs/dbraw/zinc/22/04/26/237220426.db2.gz ZZNDRAZVQNFXMV-UHFFFAOYSA-N -1 3 282.343 3.227 20 0 CGADHM Cc1ccc(C(=O)NC[C@@H](C)Oc2ccccc2)c([O-])c1C ZINC000436917632 237208200 /nfs/dbraw/zinc/20/82/00/237208200.db2.gz ZWPZDAJFWRFZMY-CYBMUJFWSA-N -1 3 299.370 3.206 20 0 CGADHM O=C(N[C@H]1C[C@H]1C1CCCCC1)c1ccccc1[O-] ZINC000436930374 237212242 /nfs/dbraw/zinc/21/22/42/237212242.db2.gz HDFVITYALFOZNS-KBPBESRZSA-N -1 3 259.349 3.091 20 0 CGADHM Cc1cc(NC(=O)c2ccc([O-])c(C)c2)cc2n[nH]cc21 ZINC000436935641 237215342 /nfs/dbraw/zinc/21/53/42/237215342.db2.gz PRTHSYQFGHUQRF-UHFFFAOYSA-N -1 3 281.315 3.138 20 0 CGADHM COc1cc(Cl)c(NC(=O)[N-]OCC2CC2)cc1C ZINC000297051048 200072541 /nfs/dbraw/zinc/07/25/41/200072541.db2.gz NCMFQGASVUPSPY-UHFFFAOYSA-N -1 3 284.743 3.120 20 0 CGADHM Cc1ccc(C(=O)N(C)Cc2cc(C)ccc2F)c([O-])c1 ZINC000437005073 237228958 /nfs/dbraw/zinc/22/89/58/237228958.db2.gz VDAMMJUCKGUDSN-UHFFFAOYSA-N -1 3 287.334 3.420 20 0 CGADHM O=C([O-])[C@]12CCC[C@H]1CN(Cc1cccc(Cl)c1F)C2 ZINC000297022908 200064538 /nfs/dbraw/zinc/06/45/38/200064538.db2.gz QPCIPNSSLDMSIO-NHYWBVRUSA-N -1 3 297.757 3.166 20 0 CGADHM Cc1cc2sc(NC([O-])=NOC(C)C)nc2cc1F ZINC000297122646 200090809 /nfs/dbraw/zinc/09/08/09/200090809.db2.gz NONFTOKJPOPLSL-UHFFFAOYSA-N -1 3 283.328 3.205 20 0 CGADHM Cc1cc2sc(NC(=O)[N-]OC(C)C)nc2cc1F ZINC000297122646 200090811 /nfs/dbraw/zinc/09/08/11/200090811.db2.gz NONFTOKJPOPLSL-UHFFFAOYSA-N -1 3 283.328 3.205 20 0 CGADHM CC1(C)CCCc2sc(NC([O-])=NOCC3CC3)nc21 ZINC000297397081 200176089 /nfs/dbraw/zinc/17/60/89/200176089.db2.gz MHGJUYBGSFJNJY-UHFFFAOYSA-N -1 3 295.408 3.220 20 0 CGADHM CC1(C)CCCc2sc(NC(=O)[N-]OCC3CC3)nc21 ZINC000297397081 200176090 /nfs/dbraw/zinc/17/60/90/200176090.db2.gz MHGJUYBGSFJNJY-UHFFFAOYSA-N -1 3 295.408 3.220 20 0 CGADHM O=[S@](Cc1cc(-c2ccccc2)no1)c1ccc([O-])cc1 ZINC000341752245 216090183 /nfs/dbraw/zinc/09/01/83/216090183.db2.gz VKDXWAZPAXQLIB-OAQYLSRUSA-N -1 3 299.351 3.355 20 0 CGADHM [O-]C(=NOCc1cccnc1)Nc1ccc2c(c1)CCCC2 ZINC000297564112 200229759 /nfs/dbraw/zinc/22/97/59/200229759.db2.gz ZCFSILJHSHHVQX-UHFFFAOYSA-N -1 3 297.358 3.214 20 0 CGADHM O=C([N-]OCc1cccnc1)Nc1ccc2c(c1)CCCC2 ZINC000297564112 200229762 /nfs/dbraw/zinc/22/97/62/200229762.db2.gz ZCFSILJHSHHVQX-UHFFFAOYSA-N -1 3 297.358 3.214 20 0 CGADHM CCOc1cc(CN2CCO[C@H](C)[C@@H]2C)cc(Cl)c1[O-] ZINC000297913666 200303550 /nfs/dbraw/zinc/30/35/50/200303550.db2.gz SMDDANGVKHDLDH-WDEREUQCSA-N -1 3 299.798 3.054 20 0 CGADHM CCOc1cc(CN2C[C@H](C)OC[C@H]2C)cc(Cl)c1[O-] ZINC000297965843 200310948 /nfs/dbraw/zinc/31/09/48/200310948.db2.gz WWWCNALCFHAYAZ-MNOVXSKESA-N -1 3 299.798 3.054 20 0 CGADHM Cc1ccc(C(=O)N([C@@H](C)C(C)C)C2CC2)c([O-])c1 ZINC000298277419 200380260 /nfs/dbraw/zinc/38/02/60/200380260.db2.gz DQHXAIGIRMRUCV-LBPRGKRZSA-N -1 3 261.365 3.350 20 0 CGADHM C[C@]1(C(=O)Nc2ncccc2[O-])CCCc2ccccc21 ZINC000341886790 216139104 /nfs/dbraw/zinc/13/91/04/216139104.db2.gz KPXKTJIJWLBAQT-KRWDZBQOSA-N -1 3 282.343 3.020 20 0 CGADHM O=C(Nc1ncccc1[O-])[C@@H]1C[C@]12CCCc1ccccc12 ZINC000341887476 216139464 /nfs/dbraw/zinc/13/94/64/216139464.db2.gz LJESXECCFOIZIR-KSSFIOAISA-N -1 3 294.354 3.020 20 0 CGADHM Cc1ncc(C(=O)Nc2cc(F)ccc2[O-])c(C(C)C)n1 ZINC000179652323 189210609 /nfs/dbraw/zinc/21/06/09/189210609.db2.gz SPEWKPFYQXWUOG-UHFFFAOYSA-N -1 3 289.310 3.005 20 0 CGADHM Cc1ccc(O[C@H](C)CNC(=O)c2cc(C)ccc2[O-])cc1 ZINC000440264199 238300487 /nfs/dbraw/zinc/30/04/87/238300487.db2.gz HUURKRXUYDZHQR-CQSZACIVSA-N -1 3 299.370 3.206 20 0 CGADHM CC[C@@]1(C)CCN(C(=O)c2c[n-]c3ccc(C)cc3c2=O)C1 ZINC000342249972 216278607 /nfs/dbraw/zinc/27/86/07/216278607.db2.gz XQALECAFTGRRTD-SFHVURJKSA-N -1 3 298.386 3.099 20 0 CGADHM COc1cccc(C(=O)N2C[C@@H](C)[C@H]3CCCC[C@@H]32)c1[O-] ZINC000180549743 189261455 /nfs/dbraw/zinc/26/14/55/189261455.db2.gz HGZGAUOKSDRVDV-BZPMIXESSA-N -1 3 289.375 3.052 20 0 CGADHM Cc1nc(C)c([C@H](C)N(C)C(=O)c2cccc([O-])c2)s1 ZINC000182396375 189322228 /nfs/dbraw/zinc/32/22/28/189322228.db2.gz MNOLGKOGRARAIJ-JTQLQIEISA-N -1 3 290.388 3.299 20 0 CGADHM C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)c1cccc([O-])c1 ZINC000182452871 189324322 /nfs/dbraw/zinc/32/43/22/189324322.db2.gz PISZQQFZOWEMGP-XJKSGUPXSA-N -1 3 281.355 3.410 20 0 CGADHM C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)c1cccc([O-])c1 ZINC000182577166 189328275 /nfs/dbraw/zinc/32/82/75/189328275.db2.gz OSANUIWVFJMMNW-GUYCJALGSA-N -1 3 281.355 3.410 20 0 CGADHM CCCCOc1ccc(NC(=O)[N-]OCC)c(C)c1 ZINC000182950276 189340595 /nfs/dbraw/zinc/34/05/95/189340595.db2.gz ZTPGBLADALQQBT-UHFFFAOYSA-N -1 3 266.341 3.247 20 0 CGADHM CCO[N-]C(=O)Nc1ccc(OCC(F)(F)F)c(C)c1 ZINC000182988552 189342006 /nfs/dbraw/zinc/34/20/06/189342006.db2.gz LRWUYRBGCADMLZ-UHFFFAOYSA-N -1 3 292.257 3.009 20 0 CGADHM CCC(CC)[C@@H]1C[C@H](NC(=O)c2cccc([O-])c2)CCO1 ZINC000183003610 189342526 /nfs/dbraw/zinc/34/25/26/189342526.db2.gz UYIBRKJKYNWLEA-ZBFHGGJFSA-N -1 3 291.391 3.106 20 0 CGADHM Cc1noc(Cl)c1CCC(=O)Nc1c(C)cccc1[O-] ZINC000183016803 189342632 /nfs/dbraw/zinc/34/26/32/189342632.db2.gz RITAQJRMDXYPSH-UHFFFAOYSA-N -1 3 294.738 3.222 20 0 CGADHM CCO[N-]C(=O)Nc1cc(-c2nc(C)co2)ccc1C ZINC000183018088 189342688 /nfs/dbraw/zinc/34/26/88/189342688.db2.gz GJTAHXABBBJEFL-UHFFFAOYSA-N -1 3 275.308 3.031 20 0 CGADHM COc1cccc2c1CC[C@@H]2[N-]c1nc(C(C)C)no1 ZINC000301657699 201119681 /nfs/dbraw/zinc/11/96/81/201119681.db2.gz SKVXNVNKCGEGBR-LBPRGKRZSA-N -1 3 273.336 3.301 20 0 CGADHM Cc1nc(C(=O)[N-]c2c(C)noc2C2CC2)c(C)s1 ZINC000183933294 189372036 /nfs/dbraw/zinc/37/20/36/189372036.db2.gz PGCJWYMHQBASCU-UHFFFAOYSA-N -1 3 277.349 3.186 20 0 CGADHM CCO[N-]C(=O)Nc1cc(NC(=O)C(C)(C)C)ccc1C ZINC000184021621 189374323 /nfs/dbraw/zinc/37/43/23/189374323.db2.gz UIVOIMGXHHBCFI-UHFFFAOYSA-N -1 3 293.367 3.053 20 0 CGADHM C[C@H]1c2ccccc2CN1C(=O)c1ccccc1[O-] ZINC000436581825 291320198 /nfs/dbraw/zinc/32/01/98/291320198.db2.gz GADOYSDOYVZINB-NSHDSACASA-N -1 3 253.301 3.109 20 0 CGADHM CCn1c(=O)[n-]nc1SCc1c(C)cccc1Cl ZINC000450697831 240038565 /nfs/dbraw/zinc/03/85/65/240038565.db2.gz ALAOKWCDRGGCTP-UHFFFAOYSA-N -1 3 283.784 3.258 20 0 CGADHM FC1(F)CCC[C@@H]1CSc1n[n-]c(-c2ccccn2)n1 ZINC000450841370 240111578 /nfs/dbraw/zinc/11/15/78/240111578.db2.gz BSRBGFUOZIPKJX-SECBINFHSA-N -1 3 296.346 3.394 20 0 CGADHM Cc1csc(S(=O)(=O)[N-][C@@H]2CCCc3occc32)c1 ZINC000451028713 240195008 /nfs/dbraw/zinc/19/50/08/240195008.db2.gz SBLGPAKPAMYGFL-LLVKDONJSA-N -1 3 297.401 3.005 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N2CC3(CCC3)[C@@H]2c2ccco2)n1 ZINC000451853502 240370781 /nfs/dbraw/zinc/37/07/81/240370781.db2.gz LOYNQEVCYZAVEF-WFASDCNBSA-N -1 3 299.374 3.372 20 0 CGADHM C[C@]1(F)CCCN(C(=O)c2ccc3c(c2[O-])CCCC3)C1 ZINC000452204042 240446792 /nfs/dbraw/zinc/44/67/92/240446792.db2.gz GLYQGOFAJDKBTC-KRWDZBQOSA-N -1 3 291.366 3.235 20 0 CGADHM Cn1cccc1C(=O)Nc1cc(C(C)(C)C)ccc1[O-] ZINC000120812569 370802943 /nfs/dbraw/zinc/80/29/43/370802943.db2.gz AOSPEKAZWZNHLP-UHFFFAOYSA-N -1 3 272.348 3.281 20 0 CGADHM C[C@@H](CC(C)(C)C)NC(=O)NCc1ccc([O-])c(F)c1 ZINC000455626217 241298745 /nfs/dbraw/zinc/29/87/45/241298745.db2.gz MYMQRJDZVRAYFT-JTQLQIEISA-N -1 3 282.359 3.155 20 0 CGADHM COC(=O)c1c(C)[n-]c(=O)nc1SCCCC(C)(C)C ZINC000337285300 376192066 /nfs/dbraw/zinc/19/20/66/376192066.db2.gz ZTEUIMKIADMTFQ-UHFFFAOYSA-N -1 3 298.408 3.196 20 0 CGADHM C[C@@H](c1cccs1)N(C)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459295305 242058431 /nfs/dbraw/zinc/05/84/31/242058431.db2.gz HRVCXKUTVBHHKW-JTQLQIEISA-N -1 3 289.404 3.314 20 0 CGADHM CCc1ccc(CN(C)Cc2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC000459312899 242065898 /nfs/dbraw/zinc/06/58/98/242065898.db2.gz UQCILPJDGKGDJV-UHFFFAOYSA-N -1 3 297.402 3.254 20 0 CGADHM CC(C)C[C@@H](CCO)CN=c1[n-]cc(C(F)(F)F)s1 ZINC000477748612 243053693 /nfs/dbraw/zinc/05/36/93/243053693.db2.gz YODXDHMXVYBXJH-SECBINFHSA-N -1 3 296.358 3.040 20 0 CGADHM CC(C)(C)c1cccc([N-]S(=O)(=O)CCC2CC2)c1O ZINC000479577031 243112263 /nfs/dbraw/zinc/11/22/63/243112263.db2.gz WAAARBZBZDKDLW-UHFFFAOYSA-N -1 3 297.420 3.232 20 0 CGADHM CCc1nsc([N-]c2csc3ccccc23)n1 ZINC000485148371 243328154 /nfs/dbraw/zinc/32/81/54/243328154.db2.gz SFSMKHYSKGZNSE-UHFFFAOYSA-N -1 3 261.375 3.481 20 0 CGADHM FC(F)(F)c1c[n-]c(=NC[C@H]2CCC(F)(F)C2)s1 ZINC000485419075 243334371 /nfs/dbraw/zinc/33/43/71/243334371.db2.gz XKZHKOAUGIECFZ-LURJTMIESA-N -1 3 286.269 3.431 20 0 CGADHM CCCCC[C@H]1CCCN1Cc1nc(CC)cc(=O)[n-]1 ZINC000486809977 243373011 /nfs/dbraw/zinc/37/30/11/243373011.db2.gz QCYCNSWLEMVMIS-AWEZNQCLSA-N -1 3 277.412 3.289 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2ccc(F)c(F)c2)c1 ZINC000019839269 368770315 /nfs/dbraw/zinc/77/03/15/368770315.db2.gz UBRQRPCCZWPNOZ-UHFFFAOYSA-N -1 3 263.243 3.231 20 0 CGADHM CCOc1ccc(NC(=O)c2cc(C)ccc2[O-])cc1 ZINC000019838029 368770548 /nfs/dbraw/zinc/77/05/48/368770548.db2.gz AMMWNVBVHIZILN-UHFFFAOYSA-N -1 3 271.316 3.352 20 0 CGADHM CCc1ccc(CN(C)C(=O)c2ccc(OC)cc2[O-])cc1 ZINC000024633864 368832977 /nfs/dbraw/zinc/83/29/77/368832977.db2.gz NKIONAOIACXACF-UHFFFAOYSA-N -1 3 299.370 3.235 20 0 CGADHM COCc1cccc(NC(=O)c2cc(-c3ccco3)[n-]n2)c1 ZINC000025336060 368845252 /nfs/dbraw/zinc/84/52/52/368845252.db2.gz JQAHZVIXLLUBBY-UHFFFAOYSA-N -1 3 297.314 3.068 20 0 CGADHM COCc1cccc(NC(=O)c2cc(-c3ccco3)n[n-]2)c1 ZINC000025336060 368845259 /nfs/dbraw/zinc/84/52/59/368845259.db2.gz JQAHZVIXLLUBBY-UHFFFAOYSA-N -1 3 297.314 3.068 20 0 CGADHM Cc1ccc(C(=O)NCc2ccc(Cl)s2)c([O-])c1 ZINC000031287405 368912718 /nfs/dbraw/zinc/91/27/18/368912718.db2.gz SWZXUHYXBHYPBN-UHFFFAOYSA-N -1 3 281.764 3.346 20 0 CGADHM O=C(Nc1ccccc1[O-])c1cccc2[nH]ccc21 ZINC000034155264 368972923 /nfs/dbraw/zinc/97/29/23/368972923.db2.gz LISDAEIXWPKBCL-UHFFFAOYSA-N -1 3 252.273 3.126 20 0 CGADHM O=C(/C=C\c1cscn1)Nc1ccc(Cl)cc1[O-] ZINC000492272368 243916113 /nfs/dbraw/zinc/91/61/13/243916113.db2.gz XOBKLBDOYFHRCG-RQOWECAXSA-N -1 3 280.736 3.154 20 0 CGADHM O=C(/C=C\c1ccsc1)[N-]OC1CCCCC1 ZINC000492717035 244012118 /nfs/dbraw/zinc/01/21/18/244012118.db2.gz GLPVWKKZHVNKPU-SREVYHEPSA-N -1 3 251.351 3.142 20 0 CGADHM O=C(/C=C\c1ccc(Cl)s1)[N-]OCCC(F)(F)F ZINC000492721258 244013901 /nfs/dbraw/zinc/01/39/01/244013901.db2.gz RTHZXODCLHHEIF-RQOWECAXSA-N -1 3 299.701 3.415 20 0 CGADHM Cc1ccc([C@H](C)[C@H](O)C(=O)Nc2ccc(C)cc2[O-])cc1 ZINC000492886865 244045172 /nfs/dbraw/zinc/04/51/72/244045172.db2.gz MVJYUQXERWCGQW-GUYCJALGSA-N -1 3 299.370 3.112 20 0 CGADHM C[C@@H](O[N-]C(=O)/C=C/c1cccc(CO)c1)c1ccccc1 ZINC000493024186 244078267 /nfs/dbraw/zinc/07/82/67/244078267.db2.gz XYAAIYMXCUIGJM-PLSXKVAHSA-N -1 3 297.354 3.001 20 0 CGADHM Cc1cccc(C(=O)N(C)Cc2ccc(F)cc2)c1[O-] ZINC000042252975 369208035 /nfs/dbraw/zinc/20/80/35/369208035.db2.gz QDVBAWPPUQYDEP-UHFFFAOYSA-N -1 3 273.307 3.112 20 0 CGADHM Cc1ccc([O-])c(C(=O)N(C)c2ccc(F)cc2)c1 ZINC000048442346 369351003 /nfs/dbraw/zinc/35/10/03/369351003.db2.gz GNVQTLYRGMGBNH-UHFFFAOYSA-N -1 3 259.280 3.116 20 0 CGADHM CC(C)c1ncc(Cl)c(C(=O)Nc2ccccc2[O-])n1 ZINC000049446911 369402438 /nfs/dbraw/zinc/40/24/38/369402438.db2.gz LTKMFWRYVHAIJA-UHFFFAOYSA-N -1 3 291.738 3.211 20 0 CGADHM CCc1ccc(CN[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000050507963 369440250 /nfs/dbraw/zinc/44/02/50/369440250.db2.gz MBUYTVFGFMTAPR-MRXNPFEDSA-N -1 3 269.344 3.165 20 0 CGADHM O=C(N[C@H]1CCCc2sccc21)c1cccc([O-])c1 ZINC000061367874 369599611 /nfs/dbraw/zinc/59/96/11/369599611.db2.gz MIRIGUCCAXMMEO-ZDUSSCGKSA-N -1 3 273.357 3.261 20 0 CGADHM CCCCCNC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000276522855 193367338 /nfs/dbraw/zinc/36/73/38/193367338.db2.gz CIWIPQLRLYGUGM-UHFFFAOYSA-N -1 3 275.270 3.331 20 0 CGADHM CC(C)(C(=O)Nc1ccc([O-])cc1F)c1ccccc1 ZINC000070333085 369795461 /nfs/dbraw/zinc/79/54/61/369795461.db2.gz XGUMQLMXQILUBX-UHFFFAOYSA-N -1 3 273.307 3.448 20 0 CGADHM O=C(Nc1ccccc1[O-])c1ccnc2ccccc21 ZINC000073138828 369850841 /nfs/dbraw/zinc/85/08/41/369850841.db2.gz JXKBZFLFSZQONL-UHFFFAOYSA-N -1 3 264.284 3.193 20 0 CGADHM Cc1ccc(NC(=O)c2ccc3[nH]ccc3c2)c([O-])c1 ZINC000096787131 370214978 /nfs/dbraw/zinc/21/49/78/370214978.db2.gz ZQKSURDUYXCPDL-UHFFFAOYSA-N -1 3 266.300 3.434 20 0 CGADHM Cc1cccc(-c2nc(Cc3cccs3)no2)c1[O-] ZINC000104418347 370344807 /nfs/dbraw/zinc/34/48/07/370344807.db2.gz FTLCNPYJVWNRTR-UHFFFAOYSA-N -1 3 272.329 3.403 20 0 CGADHM CC(C)[C@H](CNCc1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000277280857 193607222 /nfs/dbraw/zinc/60/72/22/193607222.db2.gz LXRDEZWAPFONAX-NSHDSACASA-N -1 3 290.190 3.440 20 0 CGADHM O=C(C[C@H]1OCCc2ccccc21)Nc1ccccc1[O-] ZINC000115708279 370540314 /nfs/dbraw/zinc/54/03/14/370540314.db2.gz STWVAEMGFWMEHW-MRXNPFEDSA-N -1 3 283.327 3.035 20 0 CGADHM Cc1ccc([O-])c(CN2CCCc3ccccc32)n1 ZINC000131712984 371124837 /nfs/dbraw/zinc/12/48/37/371124837.db2.gz OISHOAKPLZSWNU-UHFFFAOYSA-N -1 3 254.333 3.048 20 0 CGADHM C[C@H](CS(=O)(=O)[N-]c1ccccc1F)c1ccccc1 ZINC000133390471 371247840 /nfs/dbraw/zinc/24/78/40/371247840.db2.gz LYSPDWUTLCOYIP-GFCCVEGCSA-N -1 3 293.363 3.371 20 0 CGADHM COc1cccc(C(=O)N2C[C@@H](C)CCC[C@@H]2C)c1[O-] ZINC000134054237 371300282 /nfs/dbraw/zinc/30/02/82/371300282.db2.gz AOXLJBBQMDKZKS-RYUDHWBXSA-N -1 3 277.364 3.052 20 0 CGADHM COc1ccc([O-])c(C(=O)N2C[C@H](C)CCC[C@@H]2C)c1 ZINC000134177963 371309149 /nfs/dbraw/zinc/30/91/49/371309149.db2.gz KAEVIUPECAJDCX-NEPJUHHUSA-N -1 3 277.364 3.052 20 0 CGADHM CC[C@@H]1CCCCCN1C(=O)c1cccc(OC)c1[O-] ZINC000134722753 371361086 /nfs/dbraw/zinc/36/10/86/371361086.db2.gz YNHYXORPIDEMFY-GFCCVEGCSA-N -1 3 277.364 3.196 20 0 CGADHM Cc1ccccc1CNC(=O)Cc1ccc([O-])cc1Cl ZINC000136073200 371460229 /nfs/dbraw/zinc/46/02/29/371460229.db2.gz CZVDHIFMYHWONF-UHFFFAOYSA-N -1 3 289.762 3.213 20 0 CGADHM C[C@H]1CCCN(C(=O)Cc2ccc([O-])cc2Cl)CC1 ZINC000136227704 371469117 /nfs/dbraw/zinc/46/91/17/371469117.db2.gz JKCCYGCAUZNHOA-NSHDSACASA-N -1 3 281.783 3.237 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CC[C@@H](C3CCCC3)C2)c1 ZINC000421654825 371593999 /nfs/dbraw/zinc/59/39/99/371593999.db2.gz LXCCABMFMCZWCL-CQSZACIVSA-N -1 3 273.376 3.353 20 0 CGADHM Cc1cc(C(=O)N(C)C2CC(OC(C)(C)C)C2)ccc1[O-] ZINC000422007351 371723430 /nfs/dbraw/zinc/72/34/30/371723430.db2.gz AIIWABFNNLHODN-UHFFFAOYSA-N -1 3 291.391 3.119 20 0 CGADHM C[C@@H]1[C@H](C(=O)[O-])CCCN1CCc1ccc(F)cc1Cl ZINC000422640294 371755466 /nfs/dbraw/zinc/75/54/66/371755466.db2.gz YZQKZALSTXMNSO-ZWNOBZJWSA-N -1 3 299.773 3.207 20 0 CGADHM Cc1ccc(NC(=O)COC/C=C/c2ccccc2)c([O-])c1 ZINC000155177087 371910236 /nfs/dbraw/zinc/91/02/36/371910236.db2.gz GVNLAOGWWRQQEA-VMPITWQZSA-N -1 3 297.354 3.369 20 0 CGADHM CC[C@H]1CCC[C@@H]1NC(=O)c1cc([O-])ccc1Cl ZINC000290262881 371949995 /nfs/dbraw/zinc/94/99/95/371949995.db2.gz AJYFSUIHXZCLDA-ZANVPECISA-N -1 3 267.756 3.354 20 0 CGADHM CC[C@H]1CN(Cc2cc(C(=O)[O-])sc2C)CCS1 ZINC000157715513 372033893 /nfs/dbraw/zinc/03/38/93/372033893.db2.gz LNUSUNYILUTSHU-NSHDSACASA-N -1 3 285.434 3.082 20 0 CGADHM O=C(c1cc([O-])ccc1Cl)N1CCC[C@H](C2CC2)C1 ZINC000290731693 372045814 /nfs/dbraw/zinc/04/58/14/372045814.db2.gz WNZHGEGCLZYCBR-NSHDSACASA-N -1 3 279.767 3.308 20 0 CGADHM CCOc1ccc(NC(=O)[N-]OCC(C)C)cc1Cl ZINC000159186939 372114535 /nfs/dbraw/zinc/11/45/35/372114535.db2.gz VPSOKCLZIBTMIP-UHFFFAOYSA-N -1 3 286.759 3.448 20 0 CGADHM CCc1ccc(C(=O)N2CCC(F)(F)[C@@H](C)C2)c([O-])c1 ZINC000290903407 372071349 /nfs/dbraw/zinc/07/13/49/372071349.db2.gz LAGPWBIPBKGTJD-JTQLQIEISA-N -1 3 283.318 3.072 20 0 CGADHM Cc1n[nH]c(C)c1[C@@H](C)CC(=O)Nc1ccc(C)cc1[O-] ZINC000159276273 372124499 /nfs/dbraw/zinc/12/44/99/372124499.db2.gz VQUNSWMYHKTOAQ-JTQLQIEISA-N -1 3 287.363 3.173 20 0 CGADHM CC(F)(F)C(=O)[N-]C1(c2cccc(Cl)c2)CC1 ZINC000293179820 372319061 /nfs/dbraw/zinc/31/90/61/372319061.db2.gz MVPMIYLBDNUORP-UHFFFAOYSA-N -1 3 259.683 3.101 20 0 CGADHM CC1(C)CCC(C(=O)Nc2nnc(-c3ccco3)[n-]2)CC1 ZINC000162123909 372374533 /nfs/dbraw/zinc/37/45/33/372374533.db2.gz NYUWZZATMNIJPW-UHFFFAOYSA-N -1 3 288.351 3.220 20 0 CGADHM CC1(C)CCC(C(=O)Nc2nc(-c3ccco3)n[n-]2)CC1 ZINC000162123909 372374541 /nfs/dbraw/zinc/37/45/41/372374541.db2.gz NYUWZZATMNIJPW-UHFFFAOYSA-N -1 3 288.351 3.220 20 0 CGADHM CC1(C)CCC(C(=O)Nc2n[n-]c(-c3ccco3)n2)CC1 ZINC000162123909 372374545 /nfs/dbraw/zinc/37/45/45/372374545.db2.gz NYUWZZATMNIJPW-UHFFFAOYSA-N -1 3 288.351 3.220 20 0 CGADHM C[C@H](CC(=O)Nc1ccncc1[O-])c1ccc(F)cc1F ZINC000162208294 372380881 /nfs/dbraw/zinc/38/08/81/372380881.db2.gz LGWSQRZUPZCOOU-SECBINFHSA-N -1 3 292.285 3.198 20 0 CGADHM CC(C)[C@H](O)Cc1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000293472094 372390362 /nfs/dbraw/zinc/39/03/62/372390362.db2.gz RVWJNUYHYYQSCM-OAHLLOKOSA-N -1 3 298.342 3.155 20 0 CGADHM CCCCCN(Cc1nc(CC)cc(=O)[n-]1)C(C)C ZINC000344345601 217160486 /nfs/dbraw/zinc/16/04/86/217160486.db2.gz HIENIHIFMCLZPR-UHFFFAOYSA-N -1 3 265.401 3.145 20 0 CGADHM CCCc1nc(C)c(CNCc2c(F)ccc([O-])c2F)o1 ZINC000293783130 372480300 /nfs/dbraw/zinc/48/03/00/372480300.db2.gz BZTVFIMORUMTJR-UHFFFAOYSA-N -1 3 296.317 3.209 20 0 CGADHM [O-]c1cccc(CNCC2(CCO)CCCC2)c1Cl ZINC000293627992 372429369 /nfs/dbraw/zinc/42/93/69/372429369.db2.gz QUVBBMOJJBTPCP-UHFFFAOYSA-N -1 3 283.799 3.078 20 0 CGADHM CN(Cc1cccc([O-])c1Cl)C[C@H]1CCCC[C@@H]1O ZINC000293640248 372433015 /nfs/dbraw/zinc/43/30/15/372433015.db2.gz NVGCMPGBAZLRJJ-YPMHNXCESA-N -1 3 283.799 3.029 20 0 CGADHM COc1cccc2c1[C@@H](C(=O)Nc1ccc(C)cc1[O-])CC2 ZINC000431281830 372452716 /nfs/dbraw/zinc/45/27/16/372452716.db2.gz SMYKVLLCMCSDSE-ZDUSSCGKSA-N -1 3 297.354 3.378 20 0 CGADHM [O-]c1cccc(CN[C@H](CCO)c2ccccc2)c1Cl ZINC000293712039 372459487 /nfs/dbraw/zinc/45/94/87/372459487.db2.gz XVZOPIPZDFYLKY-CQSZACIVSA-N -1 3 291.778 3.259 20 0 CGADHM C[C@H](CC(=O)[N-]OCC1CC1)C(=O)c1ccc(Cl)cc1 ZINC000293716947 372459795 /nfs/dbraw/zinc/45/97/95/372459795.db2.gz GDMOBQLDRXMULW-SNVBAGLBSA-N -1 3 295.766 3.007 20 0 CGADHM CCC[C@@]1(C)CCCN(Cc2nc(CC)cc(=O)[n-]2)C1 ZINC000344383808 217175272 /nfs/dbraw/zinc/17/52/72/217175272.db2.gz XMRXMZSHNVDZLJ-INIZCTEOSA-N -1 3 277.412 3.147 20 0 CGADHM O=C([N-]OCC1CC1)[C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000293752114 372470326 /nfs/dbraw/zinc/47/03/26/372470326.db2.gz KMPPBSCWJJNJHF-CHWSQXEVSA-N -1 3 299.292 3.267 20 0 CGADHM C[C@H]1CCCCN1CCNCc1cccc([O-])c1Cl ZINC000293952491 372534892 /nfs/dbraw/zinc/53/48/92/372534892.db2.gz BVUQPZUZQNGGRU-LBPRGKRZSA-N -1 3 282.815 3.010 20 0 CGADHM CC[C@@H]1CCCCN1C(=O)NCc1ccc([O-])c(F)c1 ZINC000163763300 372491442 /nfs/dbraw/zinc/49/14/42/372491442.db2.gz JZOGPTKCSGBUNR-GFCCVEGCSA-N -1 3 280.343 3.005 20 0 CGADHM CCN(C(=O)NCc1ccc([O-])c(F)c1)[C@@H](C)C(C)C ZINC000163776256 372491664 /nfs/dbraw/zinc/49/16/64/372491664.db2.gz RSPOKOUABQJNAO-NSHDSACASA-N -1 3 282.359 3.107 20 0 CGADHM Cc1cccc(C(=O)N2CC(C)(C)[C@@H]2C(C)C)c1[O-] ZINC000293895755 372516178 /nfs/dbraw/zinc/51/61/78/372516178.db2.gz LLLNRXZFOKPGQI-AWEZNQCLSA-N -1 3 261.365 3.207 20 0 CGADHM [O-]c1ccc(F)c(CNCCCNc2ccccc2)c1F ZINC000294153428 372597456 /nfs/dbraw/zinc/59/74/56/372597456.db2.gz ICMQYOZBURXIJZ-UHFFFAOYSA-N -1 3 292.329 3.262 20 0 CGADHM CN(CCC1CCCCC1)C(=O)c1ccc2n[n-]nc2c1 ZINC000170634575 372645391 /nfs/dbraw/zinc/64/53/91/372645391.db2.gz DWGINMOMZGYJIZ-UHFFFAOYSA-N -1 3 286.379 3.000 20 0 CGADHM COc1ccc(Cl)cc1CN1CCC[C@H](CC(=O)[O-])C1 ZINC000054299670 541881104 /nfs/dbraw/zinc/88/11/04/541881104.db2.gz GNVURAZCLNIPDK-LLVKDONJSA-N -1 3 297.782 3.035 20 0 CGADHM COc1ccc(C(=O)N(C)CCc2ccccc2C)c([O-])c1 ZINC000295425360 372776043 /nfs/dbraw/zinc/77/60/43/372776043.db2.gz MXGJSAWFIHCFJX-UHFFFAOYSA-N -1 3 299.370 3.024 20 0 CGADHM CCO[N-]C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000171742630 372820606 /nfs/dbraw/zinc/82/06/06/372820606.db2.gz GBAOCXZYCNRPES-NXEZZACHSA-N -1 3 274.147 3.165 20 0 CGADHM CC(C)O[N-]C(=O)[C@H](C)CSc1ccc(F)cc1 ZINC000295498247 372803738 /nfs/dbraw/zinc/80/37/38/372803738.db2.gz GGYHDKJMXMLFAQ-SNVBAGLBSA-N -1 3 271.357 3.010 20 0 CGADHM Cc1cccc(C(=O)N2C[C@@H](C)CC(C)(C)C2)c1[O-] ZINC000436839748 372840921 /nfs/dbraw/zinc/84/09/21/372840921.db2.gz VISPZHQVOCBRHF-NSHDSACASA-N -1 3 261.365 3.209 20 0 CGADHM CCc1ccc(C(=O)N2CC(C)(C)[C@@H]2C(C)C)c([O-])c1 ZINC000437001255 372843426 /nfs/dbraw/zinc/84/34/26/372843426.db2.gz CDKLSZSFLMPMEY-HNNXBMFYSA-N -1 3 275.392 3.461 20 0 CGADHM [O-]c1cccc(CN2CC[C@H](COC(F)F)C2)c1Cl ZINC000353472305 220102741 /nfs/dbraw/zinc/10/27/41/220102741.db2.gz OKXSDHFYDITWBE-VIFPVBQESA-N -1 3 291.725 3.107 20 0 CGADHM O=C(Nc1ncccc1[O-])c1ncsc1-c1ccccc1 ZINC000438415477 372952133 /nfs/dbraw/zinc/95/21/33/372952133.db2.gz CKZLFCGSRFRQEB-UHFFFAOYSA-N -1 3 297.339 3.163 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CCCN(C)c3ccccc32)c1 ZINC000172427457 372962738 /nfs/dbraw/zinc/96/27/38/372962738.db2.gz USTMOMZSBCBAMG-UHFFFAOYSA-N -1 3 296.370 3.187 20 0 CGADHM CC(F)(F)CCCNCc1c(F)ccc([O-])c1F ZINC000296067318 373011090 /nfs/dbraw/zinc/01/10/90/373011090.db2.gz PQMWUAKZZMKAAK-UHFFFAOYSA-N -1 3 265.250 3.195 20 0 CGADHM CC(C)ON=C([O-])Nc1cc(C(C)(C)C)nn1C(C)(C)C ZINC000296486214 373152674 /nfs/dbraw/zinc/15/26/74/373152674.db2.gz MOXBMTTZYFCCES-UHFFFAOYSA-N -1 3 296.415 3.397 20 0 CGADHM CC(C)O[N-]C(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C ZINC000296486214 373152681 /nfs/dbraw/zinc/15/26/81/373152681.db2.gz MOXBMTTZYFCCES-UHFFFAOYSA-N -1 3 296.415 3.397 20 0 CGADHM CC[C@H](Cc1ccccc1)N(C)C(=O)c1ccc(O)cc1[O-] ZINC000173568782 373159426 /nfs/dbraw/zinc/15/94/26/373159426.db2.gz FCCRQQQKZUGHRH-CQSZACIVSA-N -1 3 299.370 3.191 20 0 CGADHM [O-]C(=NOCC1CC1)Nc1csc2ccccc12 ZINC000296511969 373159845 /nfs/dbraw/zinc/15/98/45/373159845.db2.gz CMEDMZWKBZITAP-UHFFFAOYSA-N -1 3 262.334 3.364 20 0 CGADHM O=C([N-]OCC1CC1)Nc1csc2ccccc12 ZINC000296511969 373159851 /nfs/dbraw/zinc/15/98/51/373159851.db2.gz CMEDMZWKBZITAP-UHFFFAOYSA-N -1 3 262.334 3.364 20 0 CGADHM CC[C@@H](C)Oc1cccc(NC([O-])=NOC(C)C)c1 ZINC000296517463 373161713 /nfs/dbraw/zinc/16/17/13/373161713.db2.gz OVRBJUKINKEUBA-LLVKDONJSA-N -1 3 266.341 3.325 20 0 CGADHM CC[C@@H](C)Oc1cccc(NC(=O)[N-]OC(C)C)c1 ZINC000296517463 373161721 /nfs/dbraw/zinc/16/17/21/373161721.db2.gz OVRBJUKINKEUBA-LLVKDONJSA-N -1 3 266.341 3.325 20 0 CGADHM CC[C@@H](C)C(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000442944051 373130189 /nfs/dbraw/zinc/13/01/89/373130189.db2.gz NJFXXVZAXYZNSG-SSDOTTSWSA-N -1 3 277.242 3.275 20 0 CGADHM CCc1cc(=O)[n-]c(CN(C)[C@@H]2CCCC[C@H]2CC)n1 ZINC000444663443 373223670 /nfs/dbraw/zinc/22/36/70/373223670.db2.gz OSOWAJIEBKRQFN-TZMCWYRMSA-N -1 3 277.412 3.145 20 0 CGADHM O=C(c1ccccc1[O-])N1CCC[C@@H]1c1ccsc1 ZINC000298752227 373400070 /nfs/dbraw/zinc/40/00/70/373400070.db2.gz PAFNCHLSDJMJMQ-CYBMUJFWSA-N -1 3 273.357 3.431 20 0 CGADHM CCC1(C)CCN([C@@H](C)c2nc(C)cc(=O)[n-]2)CC1 ZINC000447854173 373508045 /nfs/dbraw/zinc/50/80/45/373508045.db2.gz KIPQRIMLVCEPOF-LBPRGKRZSA-N -1 3 263.385 3.064 20 0 CGADHM CCC[C@H](CC)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000299335202 373511829 /nfs/dbraw/zinc/51/18/29/373511829.db2.gz LDCCLNRWEVBDBB-NSHDSACASA-N -1 3 272.348 3.249 20 0 CGADHM CC(C)[C@@H](C[N-]C(=O)C(F)(F)F)c1ccccc1 ZINC000299652208 373590537 /nfs/dbraw/zinc/59/05/37/373590537.db2.gz MFBKAWXKKSLTTC-LLVKDONJSA-N -1 3 259.271 3.105 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])[C@@H]1C[C@@H]1C1CC1 ZINC000176042865 373550586 /nfs/dbraw/zinc/55/05/86/373550586.db2.gz YZJGASLJUMMCTP-NXEZZACHSA-N -1 3 251.713 3.030 20 0 CGADHM C[C@@H]1CC[C@@H](C(=O)Nc2nnc(-c3ccco3)[n-]2)C[C@H]1C ZINC000448893460 373647575 /nfs/dbraw/zinc/64/75/75/373647575.db2.gz IWXKYYMFPPBLQL-GMTAPVOTSA-N -1 3 288.351 3.076 20 0 CGADHM C[C@@H]1CC[C@@H](C(=O)Nc2nc(-c3ccco3)n[n-]2)C[C@H]1C ZINC000448893460 373647582 /nfs/dbraw/zinc/64/75/82/373647582.db2.gz IWXKYYMFPPBLQL-GMTAPVOTSA-N -1 3 288.351 3.076 20 0 CGADHM C[C@@H]1CC[C@@H](C(=O)Nc2n[n-]c(-c3ccco3)n2)C[C@H]1C ZINC000448893460 373647589 /nfs/dbraw/zinc/64/75/89/373647589.db2.gz IWXKYYMFPPBLQL-GMTAPVOTSA-N -1 3 288.351 3.076 20 0 CGADHM CCc1cc(=O)[n-]c(-c2ccc(N3CC[C@H](C)[C@@H]3C)nc2)n1 ZINC000301503417 373781334 /nfs/dbraw/zinc/78/13/34/373781334.db2.gz YLKFKSRXXRVZGZ-RYUDHWBXSA-N -1 3 298.390 3.041 20 0 CGADHM Cc1cccc([O-])c1NC(=O)[C@H](C)Oc1ccccc1 ZINC000179558600 373888274 /nfs/dbraw/zinc/88/82/74/373888274.db2.gz XZHYKVSYSGTCIJ-LBPRGKRZSA-N -1 3 271.316 3.107 20 0 CGADHM Cc1cccc([O-])c1NC(=O)[C@@H](C)Oc1ccccc1 ZINC000179558587 373888617 /nfs/dbraw/zinc/88/86/17/373888617.db2.gz XZHYKVSYSGTCIJ-GFCCVEGCSA-N -1 3 271.316 3.107 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])c1cc2ccccn2c1 ZINC000179649369 373897634 /nfs/dbraw/zinc/89/76/34/373897634.db2.gz UBDKCUPAYSEIMX-UHFFFAOYSA-N -1 3 270.263 3.036 20 0 CGADHM Cc1nc(-c2noc(-c3cc4c(cc3[O-])CCCC4)n2)co1 ZINC000289505539 197380693 /nfs/dbraw/zinc/38/06/93/197380693.db2.gz YYRBORHJZWASLR-UHFFFAOYSA-N -1 3 297.314 3.284 20 0 CGADHM CCc1cc(=O)[n-]c(CN[C@H](C)c2ccc(C)c(F)c2)n1 ZINC000181345400 374112277 /nfs/dbraw/zinc/11/22/77/374112277.db2.gz BNBVUTBZHBYMPG-LLVKDONJSA-N -1 3 289.354 3.043 20 0 CGADHM O=C(Cc1ccc([O-])cc1Cl)N[C@H]1CC12CCCCC2 ZINC000181487605 374130262 /nfs/dbraw/zinc/13/02/62/374130262.db2.gz MZZPGDZPFPCAEB-AWEZNQCLSA-N -1 3 293.794 3.427 20 0 CGADHM Cc1o[n-]c(=NC(=O)c2cc3cc(C)c(C)cc3o2)c1C ZINC000452168074 374261954 /nfs/dbraw/zinc/26/19/54/374261954.db2.gz VMKSRCYJWUWEMK-UHFFFAOYSA-N -1 3 284.315 3.329 20 0 CGADHM CC(C)(NC(=O)c1ccccc1[O-])c1ccccc1 ZINC000311956998 374264352 /nfs/dbraw/zinc/26/43/52/374264352.db2.gz ODCRDPMZPZHTDH-UHFFFAOYSA-N -1 3 255.317 3.057 20 0 CGADHM [O-]c1ccc(Br)c(CNc2cncc(F)c2)c1 ZINC000315620986 374331054 /nfs/dbraw/zinc/33/10/54/374331054.db2.gz SNGIWCSKLVEPFO-UHFFFAOYSA-N -1 3 297.127 3.301 20 0 CGADHM CO[C@H](C(=O)Nc1c(C)cccc1[O-])c1ccccc1 ZINC000182974751 374351407 /nfs/dbraw/zinc/35/14/07/374351407.db2.gz RPYGSMOVYZBCCV-HNNXBMFYSA-N -1 3 271.316 3.027 20 0 CGADHM Cc1cc(C)cc([C@@H](C)NC(=O)c2cccc3nn[n-]c32)c1 ZINC000183584445 374430926 /nfs/dbraw/zinc/43/09/26/374430926.db2.gz DPURWIPMWZASLD-GFCCVEGCSA-N -1 3 294.358 3.066 20 0 CGADHM Cc1cc(C)cc([C@@H](C)NC(=O)c2cccc3[n-]nnc32)c1 ZINC000183584445 374430936 /nfs/dbraw/zinc/43/09/36/374430936.db2.gz DPURWIPMWZASLD-GFCCVEGCSA-N -1 3 294.358 3.066 20 0 CGADHM Cc1cc(C)cc([C@@H](C)NC(=O)c2cccc3n[n-]nc32)c1 ZINC000183584445 374430943 /nfs/dbraw/zinc/43/09/43/374430943.db2.gz DPURWIPMWZASLD-GFCCVEGCSA-N -1 3 294.358 3.066 20 0 CGADHM [O-]c1cccc2ccc(/C=C/c3ccc(O)c(CO)c3)nc12 ZINC000183742035 374448310 /nfs/dbraw/zinc/44/83/10/374448310.db2.gz NWHMVRJAODPNOH-QPJJXVBHSA-N -1 3 293.322 3.309 20 0 CGADHM Cc1nn(C(C)(C)C)cc1C(=O)Nc1cccc([O-])c1F ZINC000183804282 374459642 /nfs/dbraw/zinc/45/96/42/374459642.db2.gz MLNOOSFJAMUQAN-UHFFFAOYSA-N -1 3 291.326 3.044 20 0 CGADHM COc1ccc(NC(=O)[C@@H]2CCC[C@H](C)C2)c([O-])c1 ZINC000331274228 374519200 /nfs/dbraw/zinc/51/92/00/374519200.db2.gz DDEFDIQEGNIEIX-WDEREUQCSA-N -1 3 263.337 3.166 20 0 CGADHM COCc1cccc(NCc2cc([O-])cc(F)c2)c1 ZINC000184135873 374497378 /nfs/dbraw/zinc/49/73/78/374497378.db2.gz TUMGSBQRKLIWRN-UHFFFAOYSA-N -1 3 261.296 3.290 20 0 CGADHM C[C@@H](CN1CCCC[C@H]1c1n[nH]c(=O)[n-]1)C1CCCCC1 ZINC000333638184 374612178 /nfs/dbraw/zinc/61/21/78/374612178.db2.gz BQIUCPUYXXQWEE-JSGCOSHPSA-N -1 3 292.427 3.254 20 0 CGADHM Cc1ccc(C(=O)N[C@H]2CCO[C@@H](CC(C)C)C2)c([O-])c1 ZINC000334087163 374647339 /nfs/dbraw/zinc/64/73/39/374647339.db2.gz LKHAFDDVNBQAPP-KBPBESRZSA-N -1 3 291.391 3.024 20 0 CGADHM CCOC[C@H]1CCCCN1C(=O)c1ccc(C)c(C)c1[O-] ZINC000458071759 374677855 /nfs/dbraw/zinc/67/78/55/374677855.db2.gz GSJXOWIBRWZRBM-CQSZACIVSA-N -1 3 291.391 3.040 20 0 CGADHM CC(C)Oc1cccc(CN2CCC(CC(=O)[O-])CC2)c1 ZINC000093682554 541982835 /nfs/dbraw/zinc/98/28/35/541982835.db2.gz KTLMLFUQQNMNIE-UHFFFAOYSA-N -1 3 291.391 3.161 20 0 CGADHM CC[C@@H](NCc1cc([O-])cc(F)c1)c1ccncc1 ZINC000185552517 374686590 /nfs/dbraw/zinc/68/65/90/374686590.db2.gz ORBKYQBRBDSZRV-OAHLLOKOSA-N -1 3 260.312 3.167 20 0 CGADHM [O-]c1cc(F)cc(CNc2ccn(Cc3ccccc3)n2)c1 ZINC000185575217 374691799 /nfs/dbraw/zinc/69/17/99/374691799.db2.gz JZFNWXDMZFKZJX-UHFFFAOYSA-N -1 3 297.333 3.388 20 0 CGADHM CC(=O)c1ccc(C(=O)Nc2ccccc2C)cc1[O-] ZINC000334438543 374751840 /nfs/dbraw/zinc/75/18/40/374751840.db2.gz SZRINSODHYCYJU-UHFFFAOYSA-N -1 3 269.300 3.156 20 0 CGADHM CS[C@H](C)CC(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000186262670 374823150 /nfs/dbraw/zinc/82/31/50/374823150.db2.gz UQGYABWSMRJEHZ-GHMZBOCLSA-N -1 3 279.405 3.374 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CC[C@H](C(F)(F)F)[C@@H]2C)c1 ZINC000334470495 374777931 /nfs/dbraw/zinc/77/79/31/374777931.db2.gz FSIDXWGVDBOHND-ONGXEEELSA-N -1 3 287.281 3.114 20 0 CGADHM COc1cccc(C(=O)N2CCCC3(CCCC3)C2)c1[O-] ZINC000334575160 374875587 /nfs/dbraw/zinc/87/55/87/374875587.db2.gz YQOHNCBAAKVUJP-UHFFFAOYSA-N -1 3 289.375 3.197 20 0 CGADHM O=C(Nc1cccc([O-])c1F)C1(C2CCC2)CCC1 ZINC000334742024 375025154 /nfs/dbraw/zinc/02/51/54/375025154.db2.gz WNLRSQDHGZJNRC-UHFFFAOYSA-N -1 3 263.312 3.440 20 0 CGADHM [O-]c1ccc(F)c(CNc2ccc3c(c2)COC3)c1F ZINC000335066965 375103295 /nfs/dbraw/zinc/10/32/95/375103295.db2.gz QOISKIVRCUPXKO-UHFFFAOYSA-N -1 3 277.270 3.313 20 0 CGADHM CCc1ccc(C(=O)N[C@H](C)c2ncc(C)s2)c([O-])c1 ZINC000188263537 375186892 /nfs/dbraw/zinc/18/68/92/375186892.db2.gz CDMYSQJPIQNZBC-SNVBAGLBSA-N -1 3 290.388 3.211 20 0 CGADHM Cc1ccc(NC(=O)c2n[n-]nc2-c2ccccc2)c(C)c1 ZINC000188389763 375208461 /nfs/dbraw/zinc/20/84/61/375208461.db2.gz RLRPYGKHLCVSGY-UHFFFAOYSA-N -1 3 292.342 3.341 20 0 CGADHM CCc1cc(C(=O)N2CC(C3CCCC3)C2)ccc1[O-] ZINC000487593293 375260631 /nfs/dbraw/zinc/26/06/31/375260631.db2.gz QEGFXNJAQVQGQD-UHFFFAOYSA-N -1 3 273.376 3.217 20 0 CGADHM COc1ccc(/C=C/C(=O)Nc2ccc(OC)cc2[O-])cc1 ZINC000491984781 375386040 /nfs/dbraw/zinc/38/60/40/375386040.db2.gz QSLNDJVDADONJD-BJMVGYQFSA-N -1 3 299.326 3.061 20 0 CGADHM C[C@@H](c1ccc(F)cc1)[S@](=O)c1cccc([O-])c1 ZINC000335831288 375466097 /nfs/dbraw/zinc/46/60/97/375466097.db2.gz NFFLLTBJGSUORL-YPMLDQLKSA-N -1 3 264.321 3.400 20 0 CGADHM CC(C)(C(=O)Nc1ccc(Cl)cc1[O-])C1CCOCC1 ZINC000335780147 375424233 /nfs/dbraw/zinc/42/42/33/375424233.db2.gz GEFZTCMWLXJPMV-UHFFFAOYSA-N -1 3 297.782 3.437 20 0 CGADHM CCCCOc1ccc(C(=O)N(C)CCCC)c([O-])c1 ZINC000190063935 375475484 /nfs/dbraw/zinc/47/54/84/375475484.db2.gz CSIWSYFNKWPELQ-UHFFFAOYSA-N -1 3 279.380 3.443 20 0 CGADHM Cc1nsc(C)c1C(=O)Nc1c(C)cccc1[O-] ZINC000335857718 375488437 /nfs/dbraw/zinc/48/84/37/375488437.db2.gz XMTFOPSVOZXKFJ-UHFFFAOYSA-N -1 3 262.334 3.026 20 0 CGADHM COc1csc(C(=O)[N-]c2ccc(O)cc2SC)c1 ZINC000191171130 375588980 /nfs/dbraw/zinc/58/89/80/375588980.db2.gz AZHISQAKROLAMY-UHFFFAOYSA-N -1 3 295.385 3.437 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CCCC[C@H]2c2cc[nH]n2)c1 ZINC000335951330 375565142 /nfs/dbraw/zinc/56/51/42/375565142.db2.gz JTDLBRXOHNBYRY-HNNXBMFYSA-N -1 3 299.374 3.045 20 0 CGADHM Cc1cc([O-])c2nc(/C=C/c3cnn(C)c3)ccc2c1 ZINC000191377281 375619989 /nfs/dbraw/zinc/61/99/89/375619989.db2.gz CAMKHJWFOWQRDX-HWKANZROSA-N -1 3 265.316 3.153 20 0 CGADHM CC1([N-]S(=O)(=O)c2ccc(Cl)s2)CCCCC1 ZINC000497772921 375610620 /nfs/dbraw/zinc/61/06/20/375610620.db2.gz SXQRTJSIYFESMN-UHFFFAOYSA-N -1 3 293.841 3.403 20 0 CGADHM Cc1cc(C(=O)N2CC[C@H](C(F)(F)F)[C@H]2C)ccc1[O-] ZINC000336157617 375734204 /nfs/dbraw/zinc/73/42/04/375734204.db2.gz QCXDOUIKCBKJJS-KOLCDFICSA-N -1 3 287.281 3.114 20 0 CGADHM CCc1nnsc1C(=O)[N-]c1ccsc1Cl ZINC000336161822 375738218 /nfs/dbraw/zinc/73/82/18/375738218.db2.gz WUCSUDDQTRRTQV-UHFFFAOYSA-N -1 3 273.770 3.068 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N[C@H](C)c2ccc(F)cc2F)n1 ZINC000192722351 375782175 /nfs/dbraw/zinc/78/21/75/375782175.db2.gz CKRIKBLSRQETAX-ZJUUUORDSA-N -1 3 293.317 3.181 20 0 CGADHM CSc1ccc(C)c(C(=O)Nc2ncccc2[O-])c1 ZINC000192841845 375794627 /nfs/dbraw/zinc/79/46/27/375794627.db2.gz BOGRMUWDQFTFRZ-UHFFFAOYSA-N -1 3 274.345 3.070 20 0 CGADHM O=c1nc(-c2ccc(Cl)o2)[n-]c2sc3c(c21)CCC3 ZINC000131440133 542069668 /nfs/dbraw/zinc/06/96/68/542069668.db2.gz ALJHNNVAPRRLIR-UHFFFAOYSA-N -1 3 292.747 3.387 20 0 CGADHM CCCc1cc(=O)[n-]c(C(=Cc2cccnc2)CC)n1 ZINC000193616833 375897731 /nfs/dbraw/zinc/89/77/31/375897731.db2.gz ZHRSMPXIYSSSQK-LCYFTJDESA-N -1 3 269.348 3.068 20 0 CGADHM C[C@@H](CCCNCc1cc(Cl)ccc1F)C(=O)[O-] ZINC000336794121 375943244 /nfs/dbraw/zinc/94/32/44/375943244.db2.gz ZUIATXJJXGDITB-VIFPVBQESA-N -1 3 273.735 3.070 20 0 CGADHM O=C([N-]C1c2ccccc2Oc2ccccc21)C(F)F ZINC000194520801 376015088 /nfs/dbraw/zinc/01/50/88/376015088.db2.gz WZUDQYMGGCGUGK-UHFFFAOYSA-N -1 3 275.254 3.263 20 0 CGADHM CCc1nnsc1C(=O)[N-]c1ccccc1SC ZINC000194835129 376046968 /nfs/dbraw/zinc/04/69/68/376046968.db2.gz SAFJPNUGEMLMBX-UHFFFAOYSA-N -1 3 279.390 3.075 20 0 CGADHM O=C(c1ccc2c(c1[O-])CCCC2)N1C[C@H]2CCC[C@@H]2C1 ZINC000183115159 296239288 /nfs/dbraw/zinc/23/92/88/296239288.db2.gz CEUDFZVFOQLLQX-ZIAGYGMSSA-N -1 3 285.387 3.143 20 0 CGADHM Cc1ccc(C(=O)NCC(C)(C)c2ccncc2)c([O-])c1C ZINC000131956477 542074191 /nfs/dbraw/zinc/07/41/91/542074191.db2.gz KTJBAMMJTRSGTO-UHFFFAOYSA-N -1 3 298.386 3.112 20 0 CGADHM CCOc1ncccc1NC(=O)c1cccc(CC)c1[O-] ZINC000536692288 376123116 /nfs/dbraw/zinc/12/31/16/376123116.db2.gz LQYCFNTYHXJBRR-UHFFFAOYSA-N -1 3 286.331 3.001 20 0 CGADHM C[C@@H](N[C@@H](C)c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000223833111 376265067 /nfs/dbraw/zinc/26/50/67/376265067.db2.gz UUPRTKQMXDXNSA-NKWVEPMBSA-N -1 3 262.136 3.117 20 0 CGADHM CCc1cccc(C(=O)N(CC)Cc2ccncc2)c1[O-] ZINC000538741048 376267185 /nfs/dbraw/zinc/26/71/85/376267185.db2.gz SGIKDXHCOLTEAP-UHFFFAOYSA-N -1 3 284.359 3.012 20 0 CGADHM C[C@@H](NC(=O)c1cc([O-])ccc1Cl)c1cccc(O)c1 ZINC000334276021 206296252 /nfs/dbraw/zinc/29/62/52/206296252.db2.gz RQVBKYZEGOSIHP-SECBINFHSA-N -1 3 291.734 3.242 20 0 CGADHM CCCCn1c(=O)[n-]nc1S[C@H]1CC[C@@H](C)C1 ZINC000338524885 376410425 /nfs/dbraw/zinc/41/04/25/376410425.db2.gz HVHPEIBKPNXLDG-ZJUUUORDSA-N -1 3 255.387 3.065 20 0 CGADHM C[C@@H](c1ccc(F)cc1)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000226455999 376361510 /nfs/dbraw/zinc/36/15/10/376361510.db2.gz KMZACFAVNOOZLS-STQMWFEESA-N -1 3 279.355 3.464 20 0 CGADHM C[C@@H](c1cccc(F)c1)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000226455147 376361564 /nfs/dbraw/zinc/36/15/64/376361564.db2.gz HTKNKHFGHOQHRQ-STQMWFEESA-N -1 3 279.355 3.464 20 0 CGADHM Cc1cc(C(=O)N2CCC[C@@H](C(F)(F)F)C2)ccc1[O-] ZINC000227015634 376376680 /nfs/dbraw/zinc/37/66/80/376376680.db2.gz MFIZHWWJNYSAMS-LLVKDONJSA-N -1 3 287.281 3.115 20 0 CGADHM CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc([O-])c(C)c1 ZINC000227018602 376379032 /nfs/dbraw/zinc/37/90/32/376379032.db2.gz QDOMWHBLYHDYJP-TZMCWYRMSA-N -1 3 261.365 3.399 20 0 CGADHM CC(C)(C)c1nnc([N-]C(=O)c2cccc(F)c2F)s1 ZINC000263642623 190071630 /nfs/dbraw/zinc/07/16/30/190071630.db2.gz DAEGNIJPNXVFTH-UHFFFAOYSA-N -1 3 297.330 3.366 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CC[C@H](c3cccc(F)c3)C2)c1 ZINC000264242020 190099268 /nfs/dbraw/zinc/09/92/68/190099268.db2.gz BKELKSLIHNDUFK-AWEZNQCLSA-N -1 3 299.345 3.469 20 0 CGADHM CCC[C@@H](C)N(C)C(=O)c1cc([O-])ccc1Cl ZINC000233275055 376594428 /nfs/dbraw/zinc/59/44/28/376594428.db2.gz FCKUBZLBKFYSKV-SECBINFHSA-N -1 3 255.745 3.306 20 0 CGADHM Cc1cc(C)cc(OCC(=O)Nc2ccc([O-])cc2F)c1 ZINC000543027023 376600746 /nfs/dbraw/zinc/60/07/46/376600746.db2.gz ALCICFGBFWEBDG-UHFFFAOYSA-N -1 3 289.306 3.166 20 0 CGADHM Cc1oc(CN2CCC(C(C)C)CC2)cc1C(=O)[O-] ZINC000232540696 376581666 /nfs/dbraw/zinc/58/16/66/376581666.db2.gz LWBNEWCSQBBBSK-UHFFFAOYSA-N -1 3 265.353 3.154 20 0 CGADHM CC(C)c1cc(NC(=O)c2cc([O-])ccc2Cl)n[nH]1 ZINC000232749627 376586827 /nfs/dbraw/zinc/58/68/27/376586827.db2.gz SFSSRYAKVUPYKE-UHFFFAOYSA-N -1 3 279.727 3.144 20 0 CGADHM CC(C)n1nccc1NC(=O)c1cc([O-])ccc1Cl ZINC000232771717 376588462 /nfs/dbraw/zinc/58/84/62/376588462.db2.gz SVLLCZYQNVLEMC-UHFFFAOYSA-N -1 3 279.727 3.075 20 0 CGADHM CCc1occc1-c1nc(-c2ccc([O-])cc2)no1 ZINC000234309304 376615706 /nfs/dbraw/zinc/61/57/06/376615706.db2.gz ALWUYCLZLWHSBO-UHFFFAOYSA-N -1 3 256.261 3.265 20 0 CGADHM Cc1cc(C(=O)Nc2cccc3c2ccn3C)ccc1[O-] ZINC000543713748 376668451 /nfs/dbraw/zinc/66/84/51/376668451.db2.gz RBGGQAGWVIHPNP-UHFFFAOYSA-N -1 3 280.327 3.445 20 0 CGADHM Cc1noc(C)c1CCC(=O)Nc1ccc(Cl)cc1[O-] ZINC000339007297 376627359 /nfs/dbraw/zinc/62/73/59/376627359.db2.gz OQCWLDUHDFLHQK-UHFFFAOYSA-N -1 3 294.738 3.222 20 0 CGADHM C[C@@H]1CCCN(Cc2cccc(Cl)c2F)[C@@H]1C(=O)[O-] ZINC000235322841 376637551 /nfs/dbraw/zinc/63/75/51/376637551.db2.gz TXINGRPCYIUHHD-RNCFNFMXSA-N -1 3 285.746 3.164 20 0 CGADHM C[C@@H]1CCCN(Cc2ccc(F)c(Cl)c2)[C@@H]1C(=O)[O-] ZINC000235319980 376637674 /nfs/dbraw/zinc/63/76/74/376637674.db2.gz UKAVNEQULBIIDL-RNCFNFMXSA-N -1 3 285.746 3.164 20 0 CGADHM C[C@H]1CCCN(Cc2cc(F)ccc2Cl)[C@@H]1C(=O)[O-] ZINC000235663650 376646152 /nfs/dbraw/zinc/64/61/52/376646152.db2.gz HYXORIFMIFFZGW-ZANVPECISA-N -1 3 285.746 3.164 20 0 CGADHM Cc1ccc(NC(=O)c2cc([O-])ccc2Cl)nc1 ZINC000235894795 376651835 /nfs/dbraw/zinc/65/18/35/376651835.db2.gz ZFHJAVZWFJIOJJ-UHFFFAOYSA-N -1 3 262.696 3.001 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2ccccc2Br)n1 ZINC000339116972 376692983 /nfs/dbraw/zinc/69/29/83/376692983.db2.gz VKKZSVZJIVNMSL-VOTSOKGWSA-N -1 3 291.148 3.424 20 0 CGADHM COc1ccc(NC(=O)c2cc(F)c(F)c(F)c2)c([O-])c1 ZINC000135453735 542088185 /nfs/dbraw/zinc/08/81/85/542088185.db2.gz ZPBUVNGDCKCUQD-UHFFFAOYSA-N -1 3 297.232 3.070 20 0 CGADHM Cc1cncc(C(=O)Nc2ccc(Cl)cc2[O-])c1 ZINC000153439063 542112130 /nfs/dbraw/zinc/11/21/30/542112130.db2.gz YXYKFLRNVCYJAT-UHFFFAOYSA-N -1 3 262.696 3.001 20 0 CGADHM Cc1cc([N-]C(=O)[C@H](C)N2C[C@@H](C)[C@H]2c2ccccc2)on1 ZINC000245420712 376811340 /nfs/dbraw/zinc/81/13/40/376811340.db2.gz HRIMDPKBFLQXOA-FFSVYQOJSA-N -1 3 299.374 3.003 20 0 CGADHM CN(Cc1c(F)cccc1Cl)C(=O)c1cccc([O-])c1 ZINC000339999078 376890493 /nfs/dbraw/zinc/89/04/93/376890493.db2.gz QGFYOKZVHOFYPT-UHFFFAOYSA-N -1 3 293.725 3.457 20 0 CGADHM Cc1ccc(NC(=O)CCNc2ccccc2C)c([O-])c1 ZINC000340033127 376894418 /nfs/dbraw/zinc/89/44/18/376894418.db2.gz HPAKNECNSZIOFK-UHFFFAOYSA-N -1 3 284.359 3.450 20 0 CGADHM Cc1ccc(NC(=O)C[C@H](C)c2cccnc2)c([O-])c1 ZINC000340038617 376896787 /nfs/dbraw/zinc/89/67/87/376896787.db2.gz ZAAOOTFSCFJTPV-LBPRGKRZSA-N -1 3 270.332 3.228 20 0 CGADHM COc1ccc(C(=O)Nc2cc(F)ccc2[O-])c(C)c1 ZINC000340313678 376996778 /nfs/dbraw/zinc/99/67/78/376996778.db2.gz KFOXUPOMAGZUPK-UHFFFAOYSA-N -1 3 275.279 3.101 20 0 CGADHM O=C(c1cccc([O-])c1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000035165293 296253155 /nfs/dbraw/zinc/25/31/55/296253155.db2.gz HNUXAADQFWGAPF-SWLSCSKDSA-N -1 3 259.349 3.187 20 0 CGADHM C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)NCc1ccc([O-])c(F)c1 ZINC000246276337 377001395 /nfs/dbraw/zinc/00/13/95/377001395.db2.gz WIYOYIQZBCGTBQ-HBYGRHMLSA-N -1 3 294.370 3.155 20 0 CGADHM CC(=O)CCC(C)(C)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000340329656 377005321 /nfs/dbraw/zinc/00/53/21/377005321.db2.gz SIDOJTDRMFRABO-UHFFFAOYSA-N -1 3 283.755 3.380 20 0 CGADHM CCN1CCCC[C@@H]1C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000340330663 377006883 /nfs/dbraw/zinc/00/68/83/377006883.db2.gz ZWFPWZVFFAPDFZ-CYBMUJFWSA-N -1 3 296.798 3.167 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])[C@H]1C[C@H]1c1ccc(F)cc1 ZINC000340333356 377011101 /nfs/dbraw/zinc/01/11/01/377011101.db2.gz YEJNONMCWAUZHD-STQMWFEESA-N -1 3 289.281 3.413 20 0 CGADHM O=C(Nc1cccc2[nH]cnc21)c1cc([O-])ccc1Cl ZINC000340514412 377113520 /nfs/dbraw/zinc/11/35/20/377113520.db2.gz LWWDHJBRLQJVDR-UHFFFAOYSA-N -1 3 287.706 3.174 20 0 CGADHM CCC[C@H]1CCC[C@@H]1C(=O)N=c1cc(-c2cccnc2)[n-][nH]1 ZINC000562519278 377320617 /nfs/dbraw/zinc/32/06/17/377320617.db2.gz UUVGTPKONISFSB-JSGCOSHPSA-N -1 3 298.390 3.049 20 0 CGADHM CCc1cc(C(=O)N(C)Cc2cccc(F)c2)ccc1[O-] ZINC000340968894 377341043 /nfs/dbraw/zinc/34/10/43/377341043.db2.gz COWPUUPPIBHTBO-UHFFFAOYSA-N -1 3 287.334 3.366 20 0 CGADHM O=C(Nc1cc(C(F)(F)F)ccc1[O-])[C@H]1[C@@H]2CCC[C@@H]21 ZINC000248343461 377290450 /nfs/dbraw/zinc/29/04/50/377290450.db2.gz KILAHILGWIQRSI-GDGBQDQQSA-N -1 3 285.265 3.396 20 0 CGADHM CCCN(C)[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000563278775 377432436 /nfs/dbraw/zinc/43/24/36/377432436.db2.gz MQANCLHLTZECOE-LLVKDONJSA-N -1 3 276.163 3.461 20 0 CGADHM CC(C)CN(CCC(=O)[O-])Cc1cccc(Cl)c1F ZINC000563283005 377434949 /nfs/dbraw/zinc/43/49/49/377434949.db2.gz LYRWMRBTTWMWNW-UHFFFAOYSA-N -1 3 287.762 3.412 20 0 CGADHM Cc1cc(-c2noc(-c3ccccc3[O-])n2)cc(C)c1O ZINC000088163486 249025410 /nfs/dbraw/zinc/02/54/10/249025410.db2.gz CSRZXPMOUOLABN-UHFFFAOYSA-N -1 3 282.299 3.432 20 0 CGADHM CCC1(CC)CCN(C(=O)c2cc(C)ccc2[O-])C1 ZINC000094803799 249041976 /nfs/dbraw/zinc/04/19/76/249041976.db2.gz NXBBSKLZLKLSMH-UHFFFAOYSA-N -1 3 261.365 3.353 20 0 CGADHM [O-]c1cccc(CNCCOCC2CCCC2)c1Cl ZINC000313288742 249091535 /nfs/dbraw/zinc/09/15/35/249091535.db2.gz ZLMWRYWTBNSSOC-UHFFFAOYSA-N -1 3 283.799 3.342 20 0 CGADHM Cc1c2ccccc2nc(CN2CCC(C)CC2)c1C(=O)[O-] ZINC000573689193 377563244 /nfs/dbraw/zinc/56/32/44/377563244.db2.gz MEJWCUNXUZALIS-UHFFFAOYSA-N -1 3 298.386 3.473 20 0 CGADHM C[C@H](c1cc(F)ccc1F)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000515059376 249199614 /nfs/dbraw/zinc/19/96/14/249199614.db2.gz LSXWELQMTAJQOH-BREBYQMCSA-N -1 3 283.318 3.068 20 0 CGADHM O=c1cc(CSCCC2CCOCC2)nc(C2CC2)[n-]1 ZINC000515049691 249199649 /nfs/dbraw/zinc/19/96/49/249199649.db2.gz WLJOQSUTYORTMR-UHFFFAOYSA-N -1 3 294.420 3.110 20 0 CGADHM CCS[C@H]1CC[C@@H](N(C)Cc2cc(C(=O)[O-])co2)C1 ZINC000516932132 249250278 /nfs/dbraw/zinc/25/02/78/249250278.db2.gz CJCPLLSRVBLHQZ-YPMHNXCESA-N -1 3 283.393 3.084 20 0 CGADHM CCc1noc(C)c1[N-]C(=O)c1oc(C(C)C)nc1C ZINC000517161942 249259165 /nfs/dbraw/zinc/25/91/65/249259165.db2.gz MWPDWURRMHQDBK-UHFFFAOYSA-N -1 3 277.324 3.218 20 0 CGADHM Cc1cccc(CN(C)Cc2csc(C(=O)[O-])c2)c1 ZINC000517380703 249264662 /nfs/dbraw/zinc/26/46/62/249264662.db2.gz FBXWSZUIHSZTQD-UHFFFAOYSA-N -1 3 275.373 3.387 20 0 CGADHM C[C@H](c1noc(-c2n[n-]nc2-c2ccccc2)n1)C1CC1 ZINC000518006039 249274475 /nfs/dbraw/zinc/27/44/75/249274475.db2.gz OCCAGFJNGXSYNS-VIFPVBQESA-N -1 3 281.319 3.035 20 0 CGADHM O=C([O-])[C@H]1CCCN([C@@H]2CCc3ccc(Cl)cc32)C1 ZINC000574458260 377666063 /nfs/dbraw/zinc/66/60/63/377666063.db2.gz BXZSOHBTRUXBFZ-SMDDNHRTSA-N -1 3 279.767 3.124 20 0 CGADHM Cc1ccc(F)c([N-]S(=O)(=O)c2ccc(F)cc2C)c1 ZINC000253476646 377695724 /nfs/dbraw/zinc/69/57/24/377695724.db2.gz APTBLUDXWILDAM-UHFFFAOYSA-N -1 3 297.326 3.382 20 0 CGADHM O=C([O-])[C@H]1CC[C@H](CNCc2cccc(Cl)c2F)CC1 ZINC000253143568 377677919 /nfs/dbraw/zinc/67/79/19/377677919.db2.gz YJZCVGMXINGERF-XYPYZODXSA-N -1 3 299.773 3.460 20 0 CGADHM C[C@H]1CCN(Cc2csc(C(=O)[O-])c2)CC1(C)C ZINC000574578602 377683621 /nfs/dbraw/zinc/68/36/21/377683621.db2.gz RFASWKQNSPEJNM-JTQLQIEISA-N -1 3 267.394 3.314 20 0 CGADHM O=C(/C=C\c1cncc([O-])c1)N[C@@H](c1ccccc1)C1CC1 ZINC000254993412 377720837 /nfs/dbraw/zinc/72/08/37/377720837.db2.gz FKGPUZULALGYQB-KKMIYCERSA-N -1 3 294.354 3.068 20 0 CGADHM CCc1cccc(-c2nc(-c3cscn3)no2)c1[O-] ZINC000575197443 377761530 /nfs/dbraw/zinc/76/15/30/377761530.db2.gz NQVXVGKCYOBJNZ-UHFFFAOYSA-N -1 3 273.317 3.128 20 0 CGADHM COc1cccc(C[C@@H](C)NC(=O)c2cccc(C)c2[O-])c1 ZINC000261480456 377813727 /nfs/dbraw/zinc/81/37/27/377813727.db2.gz UOFCRNMROFIJBL-CYBMUJFWSA-N -1 3 299.370 3.070 20 0 CGADHM CCc1ccc([C@H](C)NC(=O)c2cccc3nn[n-]c32)cc1 ZINC000182670659 542225140 /nfs/dbraw/zinc/22/51/40/542225140.db2.gz WPSCREOMEOGGQU-NSHDSACASA-N -1 3 294.358 3.011 20 0 CGADHM CCc1ccc([C@H](C)NC(=O)c2cccc3[n-]nnc32)cc1 ZINC000182670659 542225141 /nfs/dbraw/zinc/22/51/41/542225141.db2.gz WPSCREOMEOGGQU-NSHDSACASA-N -1 3 294.358 3.011 20 0 CGADHM CCc1ccc([C@H](C)NC(=O)c2cccc3n[n-]nc32)cc1 ZINC000182670659 542225142 /nfs/dbraw/zinc/22/51/42/542225142.db2.gz WPSCREOMEOGGQU-NSHDSACASA-N -1 3 294.358 3.011 20 0 CGADHM CC(C)Oc1ccccc1CN1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC000263309439 377926462 /nfs/dbraw/zinc/92/64/62/377926462.db2.gz HTVVRDODDRRWLZ-ZFWWWQNUSA-N -1 3 291.391 3.016 20 0 CGADHM Cc1cc(Cl)cc(C)c1CN1CCC(C(=O)[O-])CC1 ZINC000263442222 377937857 /nfs/dbraw/zinc/93/78/57/377937857.db2.gz WWTMCNIPOOHWQV-UHFFFAOYSA-N -1 3 281.783 3.253 20 0 CGADHM O=C([O-])[C@H]1CCCN1Cc1cc(-c2ccccc2)cs1 ZINC000263444337 377938000 /nfs/dbraw/zinc/93/80/00/377938000.db2.gz XKORTIIPYLELAK-OAHLLOKOSA-N -1 3 287.384 3.464 20 0 CGADHM CC[C@@H](C)[C@@H](C)N(C(=O)c1cccc(OC)c1[O-])C1CC1 ZINC000264358298 377979089 /nfs/dbraw/zinc/97/90/89/377979089.db2.gz HBLPQUQOJWSROC-VXGBXAGGSA-N -1 3 291.391 3.440 20 0 CGADHM C[C@@H](Sc1n[n-]c(-c2ccccn2)n1)c1cccnc1 ZINC000343448904 377982086 /nfs/dbraw/zinc/98/20/86/377982086.db2.gz CTXCTRWJIAFNJS-SNVBAGLBSA-N -1 3 283.360 3.115 20 0 CGADHM CC1=CCCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)C1 ZINC000578110943 378037639 /nfs/dbraw/zinc/03/76/39/378037639.db2.gz OSYLCPMJELEVQO-UHFFFAOYSA-N -1 3 295.342 3.234 20 0 CGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)CC[C@@H](C)CC ZINC000343643686 378051303 /nfs/dbraw/zinc/05/13/03/378051303.db2.gz BKVVUCWZPANCLV-JTQLQIEISA-N -1 3 296.367 3.179 20 0 CGADHM CC1(C)[C@@H]2CN([C@@H](C(=O)[O-])c3c(F)cccc3Cl)C[C@@H]21 ZINC000578514970 378077570 /nfs/dbraw/zinc/07/75/70/378077570.db2.gz FSIHCKVBTCALJY-VYUIOLGVSA-N -1 3 297.757 3.193 20 0 CGADHM CC(C)[C@@H]1CN(CCc2ccccc2C(=O)[O-])CCS1 ZINC000579720710 378186485 /nfs/dbraw/zinc/18/64/85/378186485.db2.gz RMJMLUPFTYMWJB-HNNXBMFYSA-N -1 3 293.432 3.001 20 0 CGADHM CN(Cc1cc(C(=O)[O-])co1)CC1(c2ccccc2)CC1 ZINC000579484477 378165603 /nfs/dbraw/zinc/16/56/03/378165603.db2.gz ORXGHNYOLHZFJV-UHFFFAOYSA-N -1 3 285.343 3.141 20 0 CGADHM CS[C@@H]1CCCCN(Cc2csc(C(=O)[O-])c2)C1 ZINC000581016782 378276954 /nfs/dbraw/zinc/27/69/54/378276954.db2.gz FOGOPBRZMFMVQU-LLVKDONJSA-N -1 3 285.434 3.164 20 0 CGADHM C[C@H]1C[C@H](CSCc2cc(=O)[n-]c(C3CC3)n2)CCO1 ZINC000582350699 378305984 /nfs/dbraw/zinc/30/59/84/378305984.db2.gz UUBLGHAPZCNSLW-WDEREUQCSA-N -1 3 294.420 3.108 20 0 CGADHM O=C(CCC1CCCCC1)[N-]OCc1ncc(C2CC2)o1 ZINC000270430710 378351211 /nfs/dbraw/zinc/35/12/11/378351211.db2.gz DBKBMZMZGRFMJF-UHFFFAOYSA-N -1 3 292.379 3.460 20 0 CGADHM Cc1ccc(CSCc2cc(=O)[n-]c(C3CC3)n2)cn1 ZINC000594561299 378401058 /nfs/dbraw/zinc/40/10/58/378401058.db2.gz UXDLTAFHNNTYDD-UHFFFAOYSA-N -1 3 287.388 3.196 20 0 CGADHM Cc1cccc([C@@H](C)C(=O)Nc2nc(C)ccc2[O-])c1 ZINC000345927837 378410398 /nfs/dbraw/zinc/41/03/98/378410398.db2.gz NHWSYJGOLTUXRL-GFCCVEGCSA-N -1 3 270.332 3.146 20 0 CGADHM CC[C@H](C(=O)Nc1nc(C)ccc1[O-])c1ccccc1 ZINC000345945143 378417006 /nfs/dbraw/zinc/41/70/06/378417006.db2.gz RZIBRJPVAQHBHX-ZDUSSCGKSA-N -1 3 270.332 3.228 20 0 CGADHM CC1=CCN(C(=O)CCCc2ccc([O-])c(F)c2)CC1 ZINC000345817055 378377574 /nfs/dbraw/zinc/37/75/74/378377574.db2.gz WXWVPEKTLGJEER-UHFFFAOYSA-N -1 3 277.339 3.033 20 0 CGADHM CCN(C(=O)CCCc1ccc([O-])c(F)c1)C1CCC1 ZINC000345984715 378429752 /nfs/dbraw/zinc/42/97/52/378429752.db2.gz RXOZAAPFRXKEAG-UHFFFAOYSA-N -1 3 279.355 3.255 20 0 CGADHM C[C@]12CCCC[C@H]1CN2C(=O)NCc1ccc([O-])c(F)c1 ZINC000636822922 378431576 /nfs/dbraw/zinc/43/15/76/378431576.db2.gz KWTYIMMTNQWTSI-LRDDRELGSA-N -1 3 292.354 3.005 20 0 CGADHM CCCc1nnc([N-]C(=O)c2c(F)ccc(C)c2F)s1 ZINC000346364399 378557361 /nfs/dbraw/zinc/55/73/61/378557361.db2.gz BDNXNLZZLUFQAG-UHFFFAOYSA-N -1 3 297.330 3.330 20 0 CGADHM Cc1cc(C(=O)N2CCCC[C@@H]2c2cccn2C)ccc1[O-] ZINC000272350541 378618237 /nfs/dbraw/zinc/61/82/37/378618237.db2.gz AWRINWPFDBZLKE-MRXNPFEDSA-N -1 3 298.386 3.407 20 0 CGADHM COc1cc(C(=O)N[C@@H]2C[C@H]2C2CCCCC2)ccc1[O-] ZINC000272636498 378681284 /nfs/dbraw/zinc/68/12/84/378681284.db2.gz WOMPMZQUVSYOGV-UONOGXRCSA-N -1 3 289.375 3.099 20 0 CGADHM Cc1ncc(CN[C@@H](C)c2cccc3ccccc32)c(=O)[n-]1 ZINC000346807111 218020958 /nfs/dbraw/zinc/02/09/58/218020958.db2.gz LVGKGIGPYBVICC-LBPRGKRZSA-N -1 3 293.370 3.495 20 0 CGADHM CC[C@@H](C)OCC(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000274374800 378822838 /nfs/dbraw/zinc/82/28/38/378822838.db2.gz LFUOHEVDVUEJHM-NWDGAFQWSA-N -1 3 277.364 3.048 20 0 CGADHM CN(Cc1cc([O-])cc(F)c1)[C@H](CCO)c1ccccc1 ZINC000274558594 378851124 /nfs/dbraw/zinc/85/11/24/378851124.db2.gz JSZARTHNNGITMV-QGZVFWFLSA-N -1 3 289.350 3.087 20 0 CGADHM C[C@@H](CCC1CC1)NC(=O)c1cc([O-])ccc1Cl ZINC000346978057 218076629 /nfs/dbraw/zinc/07/66/29/218076629.db2.gz HSGIGPRHXOWYPE-VIFPVBQESA-N -1 3 267.756 3.354 20 0 CGADHM CC[C@]1(C)CCCN(C(=O)c2ccc([O-])c(OC)c2)C1 ZINC000276863164 379008915 /nfs/dbraw/zinc/00/89/15/379008915.db2.gz CUUGNXHWXDHWRB-MRXNPFEDSA-N -1 3 277.364 3.053 20 0 CGADHM COc1cc(C(=O)N2CCCC[C@@H]2CC(C)C)ccc1[O-] ZINC000276933958 379024816 /nfs/dbraw/zinc/02/48/16/379024816.db2.gz OSGZXTOZKBVDFZ-CQSZACIVSA-N -1 3 291.391 3.442 20 0 CGADHM Cc1cccc(CN[C@@H](CC(=O)[O-])c2ccsc2)c1 ZINC000276980780 379036817 /nfs/dbraw/zinc/03/68/17/379036817.db2.gz IGTGIJHLNCBVSH-AWEZNQCLSA-N -1 3 275.373 3.362 20 0 CGADHM Cc1ccsc1CN[C@H](CC(=O)[O-])c1ccsc1 ZINC000276984699 379037023 /nfs/dbraw/zinc/03/70/23/379037023.db2.gz IYVMANZZJLHKDW-LLVKDONJSA-N -1 3 281.402 3.424 20 0 CGADHM COc1cccc2c1nc(-c1cc([O-])cc(F)c1)n2C ZINC000349057944 379147771 /nfs/dbraw/zinc/14/77/71/379147771.db2.gz VICQABDMMSHJKW-UHFFFAOYSA-N -1 3 272.279 3.094 20 0 CGADHM C[C@H](C(=O)[O-])[C@@H](NCc1cccs1)c1ccccc1 ZINC000277420094 379155959 /nfs/dbraw/zinc/15/59/59/379155959.db2.gz SWUYUDNMICTQMZ-SMDDNHRTSA-N -1 3 275.373 3.300 20 0 CGADHM CCCNc1ccc(CNCc2nc(C)ccc2[O-])cc1 ZINC000277476986 379169318 /nfs/dbraw/zinc/16/93/18/379169318.db2.gz LFNVEBRAJWVIHG-UHFFFAOYSA-N -1 3 285.391 3.207 20 0 CGADHM CC[C@](C)(CNCc1cc(Cl)ccc1F)C(=O)[O-] ZINC000278052339 379287895 /nfs/dbraw/zinc/28/78/95/379287895.db2.gz TWCRKAXWNWAWCL-CYBMUJFWSA-N -1 3 273.735 3.070 20 0 CGADHM Cc1ccc(C)c(NC(=O)c2c[n-]nc2-c2ccncc2)c1 ZINC000349376064 379258633 /nfs/dbraw/zinc/25/86/33/379258633.db2.gz DWXBGRHSLGTCOE-UHFFFAOYSA-N -1 3 292.342 3.341 20 0 CGADHM Cc1ccc(C)c(NC(=O)c2cn[n-]c2-c2ccncc2)c1 ZINC000349376064 379258641 /nfs/dbraw/zinc/25/86/41/379258641.db2.gz DWXBGRHSLGTCOE-UHFFFAOYSA-N -1 3 292.342 3.341 20 0 CGADHM CCOc1cc(-c2noc([C@H](C)C3CC3)n2)ccc1[O-] ZINC000278206197 379317136 /nfs/dbraw/zinc/31/71/36/379317136.db2.gz YVPYTZCLLULLCE-SECBINFHSA-N -1 3 274.320 3.354 20 0 CGADHM O=C(Nc1nc(C2CCC2)cs1)c1cccc([O-])c1 ZINC000278123876 379297967 /nfs/dbraw/zinc/29/79/67/379297967.db2.gz LYYUJVSGNOTYIY-UHFFFAOYSA-N -1 3 274.345 3.369 20 0 CGADHM O=C1c2ccccc2N[C@@H](c2ccc([O-])cc2F)N1C1CC1 ZINC000639406741 379367504 /nfs/dbraw/zinc/36/75/04/379367504.db2.gz YXAQGWMEVRONGN-MRXNPFEDSA-N -1 3 298.317 3.260 20 0 CGADHM CCC[C@@H]([N-]C(=O)C(F)F)c1ccc(F)cc1F ZINC000278981762 194239526 /nfs/dbraw/zinc/23/95/26/194239526.db2.gz DTZUPTTZRZQVPY-SNVBAGLBSA-N -1 3 263.234 3.187 20 0 CGADHM C[C@@H]([N-]C(=O)C(F)F)c1ccc(OCC2CC2)c(F)c1 ZINC000278985896 194240782 /nfs/dbraw/zinc/24/07/82/194240782.db2.gz FCGDPUTYJUEFRY-MRVPVSSYSA-N -1 3 287.281 3.057 20 0 CGADHM CCCCOc1cccc(NC([O-])=NOCCSC)c1 ZINC000279781264 379514972 /nfs/dbraw/zinc/51/49/72/379514972.db2.gz BZKWMGVIXXVWBE-UHFFFAOYSA-N -1 3 298.408 3.282 20 0 CGADHM CCCCOc1cccc(NC(=O)[N-]OCCSC)c1 ZINC000279781264 379514980 /nfs/dbraw/zinc/51/49/80/379514980.db2.gz BZKWMGVIXXVWBE-UHFFFAOYSA-N -1 3 298.408 3.282 20 0 CGADHM CCC[C@](C)(CC)C(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000280003567 379576957 /nfs/dbraw/zinc/57/69/57/379576957.db2.gz IBGVJNUDZJBINA-HNNXBMFYSA-N -1 3 287.367 3.022 20 0 CGADHM CCC[C@](C)(CC)C(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000280003567 379576966 /nfs/dbraw/zinc/57/69/66/379576966.db2.gz IBGVJNUDZJBINA-HNNXBMFYSA-N -1 3 287.367 3.022 20 0 CGADHM CCC[C@](C)(CC)C(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000280003567 379576975 /nfs/dbraw/zinc/57/69/75/379576975.db2.gz IBGVJNUDZJBINA-HNNXBMFYSA-N -1 3 287.367 3.022 20 0 CGADHM C[C@@H]1Oc2cc(F)ccc2[C@H]1NCc1cc([O-])cc(F)c1 ZINC000377382336 379665431 /nfs/dbraw/zinc/66/54/31/379665431.db2.gz KZCVFRSEINXDBN-FVMDXXJSSA-N -1 3 291.297 3.282 20 0 CGADHM Cc1nocc1[N-]C(=O)c1scnc1C1CCCC1 ZINC000640484558 379810581 /nfs/dbraw/zinc/81/05/81/379810581.db2.gz VWKODHUAKPBNNT-UHFFFAOYSA-N -1 3 277.349 3.349 20 0 CGADHM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)Nc1cccc2n[n-]nc21 ZINC000640380440 379780677 /nfs/dbraw/zinc/78/06/77/379780677.db2.gz RWCYJJRDLKUBCL-ZJUUUORDSA-N -1 3 298.371 3.070 20 0 CGADHM Cc1ccc([O-])c(CNC(C)(C)c2ccc(F)c(F)c2)n1 ZINC000267534284 190336368 /nfs/dbraw/zinc/33/63/68/190336368.db2.gz UNZOMLCEMUFILZ-UHFFFAOYSA-N -1 3 292.329 3.399 20 0 CGADHM [O-]c1cccc(CN2CC[C@H]3CCC[C@H]32)c1Cl ZINC000378832128 379856744 /nfs/dbraw/zinc/85/67/44/379856744.db2.gz KOPPGXRAPREPOG-ZYHUDNBSSA-N -1 3 251.757 3.420 20 0 CGADHM CC(C)c1ncc(NC(=O)c2cc([O-])ccc2Cl)cn1 ZINC000352571198 379863425 /nfs/dbraw/zinc/86/34/25/379863425.db2.gz RKICVZIOHMTADQ-UHFFFAOYSA-N -1 3 291.738 3.211 20 0 CGADHM COC(=O)c1cnc(SCCCC(C)(C)C)[n-]1 ZINC000347779696 218353775 /nfs/dbraw/zinc/35/37/75/218353775.db2.gz QQBZIFPFSGLZFL-UHFFFAOYSA-N -1 3 256.371 3.115 20 0 CGADHM CCC1(C(=O)Nc2cc(Br)ccc2[O-])CC1 ZINC000268002338 190368738 /nfs/dbraw/zinc/36/87/38/190368738.db2.gz URINOLRTXRRODZ-UHFFFAOYSA-N -1 3 284.153 3.283 20 0 CGADHM CCCC(O)(CCC)CC(=O)Nc1cc(F)ccc1[O-] ZINC000268054775 190372834 /nfs/dbraw/zinc/37/28/34/190372834.db2.gz ADMGHXVMUUPYIB-UHFFFAOYSA-N -1 3 283.343 3.191 20 0 CGADHM COc1ccc(S[C@H](C)c2nc(C)cc(=O)[n-]2)cc1 ZINC000268349065 190396845 /nfs/dbraw/zinc/39/68/45/190396845.db2.gz QKZFQTZOOFEELD-SNVBAGLBSA-N -1 3 276.361 3.353 20 0 CGADHM CCN(CC1CC1)C(=O)c1c[n-]c2ccc(C)cc2c1=O ZINC000286195807 380174044 /nfs/dbraw/zinc/17/40/44/380174044.db2.gz FKOHKTIDABOPLQ-UHFFFAOYSA-N -1 3 284.359 3.121 20 0 CGADHM Cc1cccc(OCCOc2cc3occ([O-])c3c(C)c2)c1 ZINC000642610100 380180404 /nfs/dbraw/zinc/18/04/04/380180404.db2.gz UAKMVVQQWQAZCS-UHFFFAOYSA-N -1 3 298.338 3.336 20 0 CGADHM COc1cc(F)c(F)cc1NCc1cc([O-])cc(F)c1 ZINC000353238663 380184514 /nfs/dbraw/zinc/18/45/14/380184514.db2.gz FOFNQSKZZBAZGQ-UHFFFAOYSA-N -1 3 283.249 3.430 20 0 CGADHM CC(C)C[C@@H](N)c1noc(-c2cc(Cl)ccc2[O-])n1 ZINC000414612753 380335166 /nfs/dbraw/zinc/33/51/66/380335166.db2.gz DZGADSKNIUCCFG-SNVBAGLBSA-N -1 3 281.743 3.142 20 0 CGADHM CN(CCC(=O)[O-])Cc1cc(Cl)ccc1OCC1CC1 ZINC000414683664 380371249 /nfs/dbraw/zinc/37/12/49/380371249.db2.gz PILGPUNTVCNIBR-UHFFFAOYSA-N -1 3 297.782 3.035 20 0 CGADHM C[C@@H]1C[C@H]1c1ccc(CNCCCCCC(=O)[O-])o1 ZINC000414685066 380373198 /nfs/dbraw/zinc/37/31/98/380373198.db2.gz RWNNDKCKXVRZTM-DGCLKSJQSA-N -1 3 265.353 3.138 20 0 CGADHM CC(C)N(Cc1ccc(C(=O)[O-])cc1)Cc1cccnc1 ZINC000414635683 380347790 /nfs/dbraw/zinc/34/77/90/380347790.db2.gz HVYOVJYAULUGSE-UHFFFAOYSA-N -1 3 284.359 3.190 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N[C@H](C)c2c(F)cccc2F)n1 ZINC000279067001 194270282 /nfs/dbraw/zinc/27/02/82/194270282.db2.gz JOQJSDIOVBBLNA-ZJUUUORDSA-N -1 3 293.317 3.181 20 0 CGADHM Cc1cc(C(=O)Nc2ccc3ccn(C)c3c2)ccc1[O-] ZINC000354378722 380418690 /nfs/dbraw/zinc/41/86/90/380418690.db2.gz ALPNZRYPECQCIY-UHFFFAOYSA-N -1 3 280.327 3.445 20 0 CGADHM [O-]c1cc(CN2CCC[C@@H]2CF)cc(C(F)(F)F)c1 ZINC000354520616 380467142 /nfs/dbraw/zinc/46/71/42/380467142.db2.gz KUWMFCTUBUEOEG-LLVKDONJSA-N -1 3 277.261 3.345 20 0 CGADHM Cc1cc(C(=O)N2CC[C@@H]2Cc2ccccc2)ccc1[O-] ZINC000354537805 380476958 /nfs/dbraw/zinc/47/69/58/380476958.db2.gz RBXCXTACFRCQSB-MRXNPFEDSA-N -1 3 281.355 3.158 20 0 CGADHM CO[C@@H](CSc1n[n-]c(-c2ccccn2)n1)CC(C)C ZINC000416925140 380552302 /nfs/dbraw/zinc/55/23/02/380552302.db2.gz PVVWPIDXKXNMFX-LLVKDONJSA-N -1 3 292.408 3.020 20 0 CGADHM Cc1cccc(CN[C@@H](C)CCCCC(=O)[O-])c1F ZINC000417546324 380634277 /nfs/dbraw/zinc/63/42/77/380634277.db2.gz MECVFCGLRPFERN-LBPRGKRZSA-N -1 3 267.344 3.257 20 0 CGADHM CC(C)C[C@H](CNCc1ccc(Cl)o1)CC(=O)[O-] ZINC000417550620 380637175 /nfs/dbraw/zinc/63/71/75/380637175.db2.gz WERHSOGEKFFZFS-JTQLQIEISA-N -1 3 273.760 3.160 20 0 CGADHM C[C@@H]1CC[C@@](CNCc2ccc(Cl)o2)(CC(=O)[O-])C1 ZINC000417563563 380640218 /nfs/dbraw/zinc/64/02/18/380640218.db2.gz JZYQFVVCNYHQSW-YGRLFVJLSA-N -1 3 285.771 3.304 20 0 CGADHM Cc1ncsc1CN[C@@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000417570351 380641437 /nfs/dbraw/zinc/64/14/37/380641437.db2.gz WGAFRPAIDPJCDX-QMTHXVAHSA-N -1 3 290.388 3.003 20 0 CGADHM C[C@@H](C(=O)[O-])[C@H](C)NCc1ccc(Cl)cc1Cl ZINC000417609007 380648584 /nfs/dbraw/zinc/64/85/84/380648584.db2.gz JXWSQJDKEWTAMR-SFYZADRCSA-N -1 3 276.163 3.192 20 0 CGADHM [O-]c1cccnc1CNCc1cccc(-c2ccncc2)c1 ZINC000355325457 380643338 /nfs/dbraw/zinc/64/33/38/380643338.db2.gz BZJZVWSGGXXGOW-UHFFFAOYSA-N -1 3 291.354 3.139 20 0 CGADHM O=C([O-])[C@H](NCc1ccc(C2CC2)cc1)c1ccc(O)cc1 ZINC000417577400 380643424 /nfs/dbraw/zinc/64/34/24/380643424.db2.gz WNEWWAKHOJFEKG-QGZVFWFLSA-N -1 3 297.354 3.185 20 0 CGADHM C[C@H](CNCc1cccc([O-])c1Cl)c1ccncc1 ZINC000645160908 380599995 /nfs/dbraw/zinc/59/99/95/380599995.db2.gz YZVPHQSYRKUTGH-LLVKDONJSA-N -1 3 276.767 3.334 20 0 CGADHM C[C@](O)(CNCc1cccc([O-])c1Cl)C1CCCCC1 ZINC000645177211 380606452 /nfs/dbraw/zinc/60/64/52/380606452.db2.gz ILVRFGDKMSNSPX-INIZCTEOSA-N -1 3 297.826 3.467 20 0 CGADHM C[C@@H](NCc1ccc(-c2ccccc2F)o1)[C@@H](C)C(=O)[O-] ZINC000417614926 380652274 /nfs/dbraw/zinc/65/22/74/380652274.db2.gz SPQZRAGYSNMXQD-GHMZBOCLSA-N -1 3 291.322 3.285 20 0 CGADHM O=C([O-])[C@@H](CC1CC1)NCc1c(Cl)cccc1Cl ZINC000417620732 380654642 /nfs/dbraw/zinc/65/46/42/380654642.db2.gz JRSWVEBMOCGAAB-GFCCVEGCSA-N -1 3 288.174 3.336 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-][C@@H](C2CCC2)C2CCCC2)o1 ZINC000645812431 380739451 /nfs/dbraw/zinc/73/94/51/380739451.db2.gz IZIAPIUPRCYFSO-OAHLLOKOSA-N -1 3 297.420 3.225 20 0 CGADHM Cc1ccc([O-])c(CN2C[C@@H](C)c3ccccc32)n1 ZINC000356988088 380973100 /nfs/dbraw/zinc/97/31/00/380973100.db2.gz WUEBSCBGILDOGZ-LLVKDONJSA-N -1 3 254.333 3.219 20 0 CGADHM CC[C@H](C)[C@H]1CCCCN1C(=O)c1cccc([O-])c1 ZINC000357298102 381097436 /nfs/dbraw/zinc/09/74/36/381097436.db2.gz ZFPSXOHDMLPEAH-SWLSCSKDSA-N -1 3 261.365 3.433 20 0 CGADHM c1coc(CCc2noc(-c3cc(-c4ccco4)[n-]n3)n2)c1 ZINC000357390776 381141741 /nfs/dbraw/zinc/14/17/41/381141741.db2.gz GZIJHLDXLIUGOS-UHFFFAOYSA-N -1 3 296.286 3.098 20 0 CGADHM c1coc(CCc2noc(-c3cc(-c4ccco4)n[n-]3)n2)c1 ZINC000357390776 381141742 /nfs/dbraw/zinc/14/17/42/381141742.db2.gz GZIJHLDXLIUGOS-UHFFFAOYSA-N -1 3 296.286 3.098 20 0 CGADHM COc1ccsc1C(=O)[N-]c1cc(F)cc(F)c1F ZINC000334817078 207127110 /nfs/dbraw/zinc/12/71/10/207127110.db2.gz USQRQKLZNICHLV-UHFFFAOYSA-N -1 3 287.262 3.426 20 0 CGADHM COC[C@@H](C)[C@@H](C)C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000360260353 381500176 /nfs/dbraw/zinc/50/01/76/381500176.db2.gz FUUJKFWWODQZCH-NXEZZACHSA-N -1 3 285.771 3.211 20 0 CGADHM Cc1c(F)cccc1-c1ccc(CN[C@H](C)CC(=O)[O-])o1 ZINC000362348125 381951268 /nfs/dbraw/zinc/95/12/68/381951268.db2.gz DLEFAYDDXJORON-SNVBAGLBSA-N -1 3 291.322 3.347 20 0 CGADHM CCc1cc(C(=O)Nc2ccc3nccnc3c2)ccc1[O-] ZINC000362548468 382050310 /nfs/dbraw/zinc/05/03/10/382050310.db2.gz UFYKLDWSXSWHJO-UHFFFAOYSA-N -1 3 293.326 3.150 20 0 CGADHM O=C(Nc1ccccc1[O-])c1cncc(C(F)(F)F)c1 ZINC000335134056 207748712 /nfs/dbraw/zinc/74/87/12/207748712.db2.gz NOLRFMGFDKRHON-UHFFFAOYSA-N -1 3 282.221 3.058 20 0 CGADHM CCCCOCCNC(=O)c1cc([O-])c2ccccc2c1 ZINC000279620650 542379827 /nfs/dbraw/zinc/37/98/27/542379827.db2.gz URKQLSBOFOIZEZ-UHFFFAOYSA-N -1 3 287.359 3.092 20 0 CGADHM COCCC1(CNC(=O)c2cc([O-])c3ccccc3c2)CC1 ZINC000281684219 542384545 /nfs/dbraw/zinc/38/45/45/542384545.db2.gz UTOXLHUNFSDAGG-UHFFFAOYSA-N -1 3 299.370 3.092 20 0 CGADHM C[C@H]1C[C@@H](c2ccccc2)N(C(=O)c2ccc(O)cc2[O-])C1 ZINC000286539773 542394094 /nfs/dbraw/zinc/39/40/94/542394094.db2.gz IRPOZDFZHVQARF-LRDDRELGSA-N -1 3 297.354 3.321 20 0 CGADHM Cc1cccc(C)c1C[S@](=O)c1cccc([O-])c1 ZINC000350510279 219031725 /nfs/dbraw/zinc/03/17/25/219031725.db2.gz MXAAIROENDLPRA-SFHVURJKSA-N -1 3 260.358 3.317 20 0 CGADHM O=[S@](Cc1cc2ccccc2o1)c1cccc([O-])c1 ZINC000350507898 219032249 /nfs/dbraw/zinc/03/22/49/219032249.db2.gz JGSJYCJQPKRIEM-LJQANCHMSA-N -1 3 272.325 3.446 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])c1ccc2cc[nH]c2n1 ZINC000353868329 220376327 /nfs/dbraw/zinc/37/63/27/220376327.db2.gz GUSCZFGCYVDYTD-UHFFFAOYSA-N -1 3 287.706 3.174 20 0 CGADHM O=C1[N-]C(=O)c2cc(NCc3ccccc3C3CC3)ccc21 ZINC000316431767 542437143 /nfs/dbraw/zinc/43/71/43/542437143.db2.gz LSGJEWNFTJULBK-UHFFFAOYSA-N -1 3 292.338 3.060 20 0 CGADHM O=C(Nc1ccccc1[O-])[C@H]1CC[C@@H](C(F)(F)F)C1 ZINC000334359213 542456072 /nfs/dbraw/zinc/45/60/72/542456072.db2.gz VOQQISXQXIWDAX-DTWKUNHWSA-N -1 3 273.254 3.309 20 0 CGADHM COc1ccc(-c2noc(-c3ccc(C)c(C)c3[O-])n2)cn1 ZINC000436897805 533203109 /nfs/dbraw/zinc/20/31/09/533203109.db2.gz UKQFEZFOPHKWSL-UHFFFAOYSA-N -1 3 297.314 3.130 20 0 CGADHM CC[C@]1(C)COCCN1C(=O)c1cc([O-])c2ccccc2c1 ZINC000350808679 542536295 /nfs/dbraw/zinc/53/62/95/542536295.db2.gz ZLIZYDLJEWCKFC-GOSISDBHSA-N -1 3 299.370 3.187 20 0 CGADHM C[C@H](Cc1nc2ccc([O-])cc2c(=O)[nH]1)c1ccccc1 ZINC000351849373 542551877 /nfs/dbraw/zinc/55/18/77/542551877.db2.gz GNXAUAURYROTCE-LLVKDONJSA-N -1 3 280.327 3.387 20 0 CGADHM CSc1cccc(NC(=O)/C=C/c2cncc([O-])c2)c1 ZINC000179392397 260045601 /nfs/dbraw/zinc/04/56/01/260045601.db2.gz XCBAYABDVFUNMN-AATRIKPKSA-N -1 3 286.356 3.161 20 0 CGADHM CCc1cnc(CNC(=O)c2cc([O-])c3ccccc3c2)o1 ZINC000355749287 542568229 /nfs/dbraw/zinc/56/82/29/542568229.db2.gz KEPTVKRDNWQANU-UHFFFAOYSA-N -1 3 296.326 3.026 20 0 CGADHM COc1cccc(C(=O)N(C)c2ccc3cc[nH]c3c2)c1[O-] ZINC000437004208 533395040 /nfs/dbraw/zinc/39/50/40/533395040.db2.gz UXYFLLJDCGBNGX-UHFFFAOYSA-N -1 3 296.326 3.159 20 0 CGADHM COc1cc(-c2noc(-c3ccccc3C)n2)ccc1[O-] ZINC000436783757 533456026 /nfs/dbraw/zinc/45/60/26/533456026.db2.gz IKZKOQJPOAXHQV-UHFFFAOYSA-N -1 3 282.299 3.426 20 0 CGADHM COc1cc(C)cc(-c2nc(-c3cc(C)ccn3)no2)c1[O-] ZINC000436890135 533616037 /nfs/dbraw/zinc/61/60/37/533616037.db2.gz DRRQNKCWGSXUIX-UHFFFAOYSA-N -1 3 297.314 3.130 20 0 CGADHM CC1CCC(O)(CNCc2cccc([O-])c2Cl)CC1 ZINC000380821554 542595819 /nfs/dbraw/zinc/59/58/19/542595819.db2.gz GCDZPLPHOSFGEF-UHFFFAOYSA-N -1 3 283.799 3.076 20 0 CGADHM O=C([O-])[C@@H]1CN(C[C@H]2CCC(F)(F)C2)Cc2ccccc21 ZINC000384396432 542601229 /nfs/dbraw/zinc/60/12/29/542601229.db2.gz GHPHZLHPVPNHMX-SMDDNHRTSA-N -1 3 295.329 3.106 20 0 CGADHM C[C@@H]([N-]S(=O)(=O)c1ccccc1F)C1CCCCC1 ZINC000052341901 392077562 /nfs/dbraw/zinc/07/75/62/392077562.db2.gz JNXGTGBFWLMVCO-LLVKDONJSA-N -1 3 285.384 3.073 20 0 CGADHM CC[C@H]1CCC[C@@H](NC(=O)c2ccc(OC)cc2[O-])C1 ZINC000068604227 392166965 /nfs/dbraw/zinc/16/69/65/392166965.db2.gz NPBWARYPXOTEKP-NWDGAFQWSA-N -1 3 277.364 3.099 20 0 CGADHM COc1ccc([O-])c(C(=O)Nc2cc(F)cc(F)c2F)c1 ZINC000061120389 392125281 /nfs/dbraw/zinc/12/52/81/392125281.db2.gz WBXBPSKZWIQJNY-UHFFFAOYSA-N -1 3 297.232 3.070 20 0 CGADHM C=Cc1ccc(C(=O)Nc2ccc(OC)cc2[O-])cc1 ZINC000430335155 542652358 /nfs/dbraw/zinc/65/23/58/542652358.db2.gz GPGJOQQYUNCVQR-UHFFFAOYSA-N -1 3 269.300 3.296 20 0 CGADHM Cc1cccc(-c2noc(-c3ccc(C)c(C)c3[O-])n2)n1 ZINC000436920069 542659003 /nfs/dbraw/zinc/65/90/03/542659003.db2.gz QDEWPFAMNWRBTB-UHFFFAOYSA-N -1 3 281.315 3.429 20 0 CGADHM COc1ccc(NC(=O)c2cccc3c2CCC3)c([O-])c1 ZINC000443559265 542667176 /nfs/dbraw/zinc/66/71/76/542667176.db2.gz NSLZWUMUTZYDDD-UHFFFAOYSA-N -1 3 283.327 3.142 20 0 CGADHM CC[C@@](C)(CNC(=O)c1cc([O-])c2ccccc2c1)OC ZINC000452738777 542679095 /nfs/dbraw/zinc/67/90/95/542679095.db2.gz KVCIVXBHMZDAPN-KRWDZBQOSA-N -1 3 287.359 3.090 20 0 CGADHM O=C(Nc1ccc(F)cn1)c1cc([O-])c2ccccc2c1 ZINC000471784226 542702381 /nfs/dbraw/zinc/70/23/81/542702381.db2.gz ZYLMYJIEJHZDGA-UHFFFAOYSA-N -1 3 282.274 3.332 20 0 CGADHM CC(C)CC1(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)CCC1 ZINC000158438227 392567216 /nfs/dbraw/zinc/56/72/16/392567216.db2.gz WFQDUMMECQRADZ-UHFFFAOYSA-N -1 3 299.378 3.022 20 0 CGADHM CC(C)CC1(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)CCC1 ZINC000158438227 392567219 /nfs/dbraw/zinc/56/72/19/392567219.db2.gz WFQDUMMECQRADZ-UHFFFAOYSA-N -1 3 299.378 3.022 20 0 CGADHM CC[C@H](NCc1ccc(-c2c(F)cccc2F)o1)C(=O)[O-] ZINC000647466599 392728871 /nfs/dbraw/zinc/72/88/71/392728871.db2.gz OTILILPJWJJEJB-LBPRGKRZSA-N -1 3 295.285 3.178 20 0 CGADHM CC[C@H](NCc1csc(Cl)c1Cl)C(=O)[O-] ZINC000647466941 392730281 /nfs/dbraw/zinc/73/02/81/392730281.db2.gz MOGBFXLEMIRMFP-LURJTMIESA-N -1 3 268.165 3.008 20 0 CGADHM CCc1ccc([O-])c(C(=O)NC[C@@H](C)Oc2ccccc2)c1 ZINC000505994260 392706930 /nfs/dbraw/zinc/70/69/30/392706930.db2.gz ZZNOODPNVBBLJW-CYBMUJFWSA-N -1 3 299.370 3.152 20 0 CGADHM CC[C@H](C)C(=O)Nc1nnc(-c2ccc3ccccc3n2)[n-]1 ZINC000647770580 392794982 /nfs/dbraw/zinc/79/49/82/392794982.db2.gz XBPVKNNGMRJIFC-JTQLQIEISA-N -1 3 295.346 3.005 20 0 CGADHM CC[C@H](C)C(=O)Nc1nc(-c2ccc3ccccc3n2)n[n-]1 ZINC000647770580 392794985 /nfs/dbraw/zinc/79/49/85/392794985.db2.gz XBPVKNNGMRJIFC-JTQLQIEISA-N -1 3 295.346 3.005 20 0 CGADHM CC[C@H](C)C(=O)Nc1n[n-]c(-c2ccc3ccccc3n2)n1 ZINC000647770580 392794989 /nfs/dbraw/zinc/79/49/89/392794989.db2.gz XBPVKNNGMRJIFC-JTQLQIEISA-N -1 3 295.346 3.005 20 0 CGADHM O=C(CC1(C(F)(F)F)CC1)N1CCCc2cccc([O-])c21 ZINC000335694573 392807751 /nfs/dbraw/zinc/80/77/51/392807751.db2.gz CLCMMERUNQOXBP-UHFFFAOYSA-N -1 3 299.292 3.404 20 0 CGADHM Cc1nc(C)c(C(=O)Nc2c([O-])cccc2Cl)nc1C ZINC000647835328 392810420 /nfs/dbraw/zinc/81/04/20/392810420.db2.gz WBXFGFXGEODKAD-UHFFFAOYSA-N -1 3 291.738 3.013 20 0 CGADHM Cc1noc(C)c1[N-]C(=O)c1csc(Cl)c1 ZINC000336037409 392829656 /nfs/dbraw/zinc/82/96/56/392829656.db2.gz VTYKWCRWPJMZQQ-UHFFFAOYSA-N -1 3 256.714 3.259 20 0 CGADHM C[C@H]1CCN([C@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)C1 ZINC000519763382 392892013 /nfs/dbraw/zinc/89/20/13/392892013.db2.gz WFGBVFSCZMMRPV-UFBFGSQYSA-N -1 3 288.174 3.461 20 0 CGADHM Cc1cc(Cl)cc(CN2CC[C@@H](C(=O)[O-])[C@H](C)C2)c1 ZINC000395105036 392941097 /nfs/dbraw/zinc/94/10/97/392941097.db2.gz KOSZBPQJRXKYTD-BXUZGUMPSA-N -1 3 281.783 3.191 20 0 CGADHM CC(C)CC(C)(C)C(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000411293622 392980848 /nfs/dbraw/zinc/98/08/48/392980848.db2.gz LYDOFCRXLHDRGP-UHFFFAOYSA-N -1 3 276.340 3.076 20 0 CGADHM CC(C)CC(C)(C)C(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000411293622 392980852 /nfs/dbraw/zinc/98/08/52/392980852.db2.gz LYDOFCRXLHDRGP-UHFFFAOYSA-N -1 3 276.340 3.076 20 0 CGADHM CC(C)CC(C)(C)C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000411293622 392980858 /nfs/dbraw/zinc/98/08/58/392980858.db2.gz LYDOFCRXLHDRGP-UHFFFAOYSA-N -1 3 276.340 3.076 20 0 CGADHM CC1(C)CCCN1C(=O)c1cc([O-])ccc1Cl ZINC000232811992 393027065 /nfs/dbraw/zinc/02/70/65/393027065.db2.gz WZPZNBSMPKPAKP-UHFFFAOYSA-N -1 3 253.729 3.060 20 0 CGADHM CC(C)C[C@H](NC(=O)c1csc(=O)[n-]1)c1cccs1 ZINC000471801281 393307312 /nfs/dbraw/zinc/30/73/12/393307312.db2.gz VVVNNKUZYDQHHW-VIFPVBQESA-N -1 3 296.417 3.427 20 0 CGADHM O=C(Nc1ccc2c(c1)CCC2)c1ccc2[nH][n-]c(=O)c2c1 ZINC000646608181 393308140 /nfs/dbraw/zinc/30/81/40/393308140.db2.gz CSPIOAKPBCSKPX-UHFFFAOYSA-N -1 3 293.326 3.010 20 0 CGADHM COc1cc(C(=O)N2CCCC[C@H]2C2CCC2)ccc1[O-] ZINC000649196847 393371876 /nfs/dbraw/zinc/37/18/76/393371876.db2.gz YGFODIOQEBMVQO-AWEZNQCLSA-N -1 3 289.375 3.196 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@@H](C)CC1CCCC1 ZINC000649231712 393379431 /nfs/dbraw/zinc/37/94/31/393379431.db2.gz DDBRYLJPYBIAFY-NSHDSACASA-N -1 3 277.412 3.418 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)c1ccc(C)cc1C ZINC000649234124 393380425 /nfs/dbraw/zinc/38/04/25/393380425.db2.gz UBIOVDDMTFWHTG-UHFFFAOYSA-N -1 3 271.364 3.133 20 0 CGADHM Cc1nc2ccccc2c(N2CC[C@H](C(=O)[O-])[C@H]2C)c1C ZINC000649406961 393414176 /nfs/dbraw/zinc/41/41/76/393414176.db2.gz KDCGULRJDWXRPJ-OLZOCXBDSA-N -1 3 284.359 3.151 20 0 CGADHM CCSc1ccc(Cl)cc1[N-]C(=O)c1ccncn1 ZINC000488324723 393488254 /nfs/dbraw/zinc/48/82/54/393488254.db2.gz VLXHGUGOJOTTJH-UHFFFAOYSA-N -1 3 293.779 3.494 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N2CC[C@H](C3CCCC3)C2)n1 ZINC000420962807 393560616 /nfs/dbraw/zinc/56/06/16/393560616.db2.gz LKJAAFTUIKHHST-JSGCOSHPSA-N -1 3 275.396 3.064 20 0 CGADHM CCCn1c(=O)[n-]nc1S[C@H](C)c1cccc(OC)c1 ZINC000360726749 393577582 /nfs/dbraw/zinc/57/75/82/393577582.db2.gz SCUGTPOZNZSEMO-SNVBAGLBSA-N -1 3 293.392 3.256 20 0 CGADHM COC(=O)c1cnc(SCc2cc3ccccc3o2)[n-]1 ZINC000432671046 393626653 /nfs/dbraw/zinc/62/66/53/393626653.db2.gz ULSBPQRICNDHAE-UHFFFAOYSA-N -1 3 288.328 3.235 20 0 CGADHM Cc1cccc([O-])c1NC(=O)[C@@H](C)COc1ccccc1 ZINC000490730144 393653114 /nfs/dbraw/zinc/65/31/14/393653114.db2.gz FRXOKGBTMUWGEJ-ZDUSSCGKSA-N -1 3 285.343 3.354 20 0 CGADHM CCc1cc(C(=O)NC2CC(C(F)(F)F)C2)ccc1[O-] ZINC000490918885 393660906 /nfs/dbraw/zinc/66/09/06/393660906.db2.gz KQMZVVMNGZDIRS-UHFFFAOYSA-N -1 3 287.281 3.025 20 0 CGADHM COc1cccc(/C=C\C(=O)Nc2c(C)cccc2[O-])c1 ZINC000492440693 393734516 /nfs/dbraw/zinc/73/45/16/393734516.db2.gz MQGQVMBAYNSMCQ-KTKRTIGZSA-N -1 3 283.327 3.361 20 0 CGADHM Cc1ccccc1[C@@H](C)N(C)C(=O)/C=C/c1cncc([O-])c1 ZINC000492474502 393740774 /nfs/dbraw/zinc/74/07/74/393740774.db2.gz OJPWWOFXEOSHMN-MYSGNRETSA-N -1 3 296.370 3.328 20 0 CGADHM C[C@H](CN(C)C(=O)/C=C/c1cncc([O-])c1)c1ccccc1 ZINC000492518240 393748421 /nfs/dbraw/zinc/74/84/21/393748421.db2.gz GKWIFYLVOIGQML-MYSGNRETSA-N -1 3 296.370 3.063 20 0 CGADHM Cc1cc(C(=O)N[C@@H]2C[C@H]2Cc2ccccc2)ccc1[O-] ZINC000500603670 393834288 /nfs/dbraw/zinc/83/42/88/393834288.db2.gz DESSBBJPCJDFSN-HZPDHXFCSA-N -1 3 281.355 3.062 20 0 CGADHM CCC[C@H](C)CC(=O)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000499689787 393804103 /nfs/dbraw/zinc/80/41/03/393804103.db2.gz FHZSWDUOUXQWBF-LBPRGKRZSA-N -1 3 271.364 3.263 20 0 CGADHM CCc1ccc([O-])c(C(=O)NCCOC2CCCCC2)c1 ZINC000499724649 393805068 /nfs/dbraw/zinc/80/50/68/393805068.db2.gz IKLLKOMFBFRYKH-UHFFFAOYSA-N -1 3 291.391 3.034 20 0 CGADHM Cc1ccsc1CCNC(=O)c1ccc([O-])c(C)c1 ZINC000500074199 393816646 /nfs/dbraw/zinc/81/66/46/393816646.db2.gz JQMKTDMLJKOAOB-UHFFFAOYSA-N -1 3 275.373 3.043 20 0 CGADHM CC[C@@H]1CCC[C@@H]1C(=O)Nc1cc(F)ccc1[O-] ZINC000450040312 393967849 /nfs/dbraw/zinc/96/78/49/393967849.db2.gz FROMZJQAJBSIFC-KOLCDFICSA-N -1 3 251.301 3.296 20 0 CGADHM CC(C)(C)C(C)(C)NC(=O)Cc1ccc([O-])c(F)c1 ZINC000452413044 394056211 /nfs/dbraw/zinc/05/62/11/394056211.db2.gz XCKRLMOQWBQZRT-UHFFFAOYSA-N -1 3 267.344 3.015 20 0 CGADHM Cc1ccc([O-])c(CN2Cc3sccc3CC2(C)C)n1 ZINC000453616505 394260060 /nfs/dbraw/zinc/26/00/60/394260060.db2.gz HCWUPJJNJUTQPP-UHFFFAOYSA-N -1 3 288.416 3.494 20 0 CGADHM COc1cc(C(=O)N[C@@]2(C)CCCC[C@@H]2C)ccc1[O-] ZINC000457274418 394340061 /nfs/dbraw/zinc/34/00/61/394340061.db2.gz VTJWAFKDIBKGDC-ZBEGNZNMSA-N -1 3 277.364 3.099 20 0 CGADHM CC(C)(C)C1CN(C(=O)c2ccc3c(c2[O-])CCCC3)C1 ZINC000457349107 394348649 /nfs/dbraw/zinc/34/86/49/394348649.db2.gz YXBDBBMZBUXVLK-UHFFFAOYSA-N -1 3 287.403 3.389 20 0 CGADHM CC[C@H](C)N(Cc1ccccc1)C(=O)Cc1cncc([O-])c1 ZINC000668260662 542999152 /nfs/dbraw/zinc/99/91/52/542999152.db2.gz SVZKAXMEPROJBX-AWEZNQCLSA-N -1 3 298.386 3.157 20 0 CGADHM Cc1noc(C(F)F)c1C(=O)[N-]c1cccc2ocnc21 ZINC000671223477 543163549 /nfs/dbraw/zinc/16/35/49/543163549.db2.gz MZMZBYFMRLKDJW-UHFFFAOYSA-N -1 3 293.229 3.314 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2cccc3cnccc23)n1 ZINC000672776482 543227535 /nfs/dbraw/zinc/22/75/35/543227535.db2.gz LXJSXKYZWPAJHL-WAYWQWQTSA-N -1 3 263.300 3.209 20 0 CGADHM COc1ccc(C(=O)Nc2c(C)cccc2[O-])cc1F ZINC000335860162 397683296 /nfs/dbraw/zinc/68/32/96/397683296.db2.gz FVSJNCCGNGIOFL-UHFFFAOYSA-N -1 3 275.279 3.101 20 0 CGADHM C[C@H](C(=O)[O-])C1(NCc2ccc(-c3ccccc3)o2)CC1 ZINC000649509335 397715750 /nfs/dbraw/zinc/71/57/50/397715750.db2.gz WWWHJZQVCJQRIL-GFCCVEGCSA-N -1 3 285.343 3.290 20 0 CGADHM C[C@H](c1nc(-c2ccc3n[n-]nc3c2)no1)C1CCCC1 ZINC000650603673 397880371 /nfs/dbraw/zinc/88/03/71/397880371.db2.gz XIVHXHRWICSMGJ-VIFPVBQESA-N -1 3 283.335 3.302 20 0 CGADHM C[C@@H]1CC[C@H](C(=O)[O-])N1Cc1cc2ccccc2s1 ZINC000650795324 397920733 /nfs/dbraw/zinc/92/07/33/397920733.db2.gz WGWSOFDFCPDITH-ZWNOBZJWSA-N -1 3 275.373 3.339 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])[C@@H]1CC12CCC2 ZINC000675414177 543337528 /nfs/dbraw/zinc/33/75/28/543337528.db2.gz HXZYTDZGLZVRQK-VIFPVBQESA-N -1 3 251.713 3.174 20 0 CGADHM CC(C)C(NC(=O)NCc1ccc([O-])c(F)c1)C(C)C ZINC000676295447 543390291 /nfs/dbraw/zinc/39/02/91/543390291.db2.gz CCPARLSKBSCFPU-UHFFFAOYSA-N -1 3 282.359 3.011 20 0 CGADHM O=C([N-]c1scnc1-c1ccccc1)c1cnco1 ZINC000677535783 543453995 /nfs/dbraw/zinc/45/39/95/543453995.db2.gz WCVLMDMYIZJLQI-UHFFFAOYSA-N -1 3 271.301 3.050 20 0 CGADHM O=C(c1c([O-])cccc1O)N1CCC(C2CCCC2)CC1 ZINC000678344051 543516446 /nfs/dbraw/zinc/51/64/46/543516446.db2.gz GZQASZHACVSURM-UHFFFAOYSA-N -1 3 289.375 3.140 20 0 CGADHM CCc1ccc([O-])c(C(=O)N[C@H](C)c2cnccc2C)c1 ZINC000678413218 543521487 /nfs/dbraw/zinc/52/14/87/543521487.db2.gz FANZSYUFZXGVHP-GFCCVEGCSA-N -1 3 284.359 3.149 20 0 CGADHM CCc1cccc(C(=O)N[C@@H](C)c2cnccc2C)c1[O-] ZINC000678418143 543523328 /nfs/dbraw/zinc/52/33/28/543523328.db2.gz WNYMJDNGOUZJJJ-LBPRGKRZSA-N -1 3 284.359 3.149 20 0 CGADHM CC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccccc1F ZINC000037988235 286888611 /nfs/dbraw/zinc/88/86/11/286888611.db2.gz MWWFGNIHTUZTEC-YPMHNXCESA-N -1 3 285.384 3.073 20 0 CGADHM Cc1ccc(C(=O)Nc2cccc(F)c2F)c([O-])c1 ZINC000040231317 286890548 /nfs/dbraw/zinc/89/05/48/286890548.db2.gz LTFGKVSUXKGDRI-UHFFFAOYSA-N -1 3 263.243 3.231 20 0 CGADHM C[C@@H](Cc1cccc(F)c1)C(=O)Nc1ccccc1[O-] ZINC000049287999 286921924 /nfs/dbraw/zinc/92/19/24/286921924.db2.gz OHRHVTUHASLOIP-NSHDSACASA-N -1 3 273.307 3.349 20 0 CGADHM Cc1ccc([O-])c(C(=O)NCCc2ccc(Cl)s2)c1 ZINC000049348979 286922831 /nfs/dbraw/zinc/92/28/31/286922831.db2.gz UAHOQXKNDNCSNR-UHFFFAOYSA-N -1 3 295.791 3.388 20 0 CGADHM CC[C@@H](NC(=O)c1cccc(OC)c1[O-])c1ccccc1 ZINC000055463791 286945201 /nfs/dbraw/zinc/94/52/01/286945201.db2.gz AHSNTMASPXHXIE-CQSZACIVSA-N -1 3 285.343 3.282 20 0 CGADHM COc1ccc([O-])c(C(=O)N(C)[C@H]2CCCC[C@H]2C)c1 ZINC000055482008 286945578 /nfs/dbraw/zinc/94/55/78/286945578.db2.gz BGYLCVHPHSXEKG-RISCZKNCSA-N -1 3 277.364 3.052 20 0 CGADHM [O-]c1ccc(Br)c(CNCc2ccco2)c1 ZINC000059278387 286954171 /nfs/dbraw/zinc/95/41/71/286954171.db2.gz FLCKDLMJFGBREK-UHFFFAOYSA-N -1 3 282.137 3.038 20 0 CGADHM COc1ccc([O-])c(C(=O)NCc2ccc(Cl)s2)c1 ZINC000070211464 286986928 /nfs/dbraw/zinc/98/69/28/286986928.db2.gz DKNQEYVKTYJCQG-UHFFFAOYSA-N -1 3 297.763 3.046 20 0 CGADHM Cc1nc2ccc(NC(=O)c3ccc(C)cc3[O-])cc2o1 ZINC000079060367 287053623 /nfs/dbraw/zinc/05/36/23/287053623.db2.gz DOVXBOAAUBTLDY-UHFFFAOYSA-N -1 3 282.299 3.403 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2cccc(-n3ccnc3)c2)c1 ZINC000079217462 287054881 /nfs/dbraw/zinc/05/48/81/287054881.db2.gz DZXUEKRHWCGSOC-UHFFFAOYSA-N -1 3 293.326 3.139 20 0 CGADHM CCc1cccc(S(=O)(=O)[N-]c2cc(C)ccc2F)c1 ZINC000080924046 287068904 /nfs/dbraw/zinc/06/89/04/287068904.db2.gz AIMRQPBRZFJRQL-UHFFFAOYSA-N -1 3 293.363 3.497 20 0 CGADHM C[C@H](CCC[C@H](C)C(=O)[O-])NCc1ccccc1F ZINC000087677481 165191092 /nfs/dbraw/zinc/19/10/92/165191092.db2.gz KVMRYKTVTZWDSR-NWDGAFQWSA-N -1 3 267.344 3.195 20 0 CGADHM COc1cccc(C(=O)[N-]c2nnc(C(C)C)s2)c1F ZINC000090371660 165230837 /nfs/dbraw/zinc/23/08/37/165230837.db2.gz OQDFBNSNSGAPFD-UHFFFAOYSA-N -1 3 295.339 3.062 20 0 CGADHM COc1ccc(C(=O)N2C[C@@H](C)[C@H]2c2ccccc2)c([O-])c1 ZINC000091984410 165279901 /nfs/dbraw/zinc/27/99/01/165279901.db2.gz FJQOBSPDTBUVLE-PXAZEXFGSA-N -1 3 297.354 3.234 20 0 CGADHM CCc1noc(C)c1[N-]C(=O)c1ncccc1C(F)(F)F ZINC000092476731 165297084 /nfs/dbraw/zinc/29/70/84/165297084.db2.gz CEMORMNUNGWCFE-UHFFFAOYSA-N -1 3 299.252 3.212 20 0 CGADHM CCc1ccc([O-])c(C(=O)N(C)[C@@H](C)c2ccccn2)c1 ZINC000094063039 165342772 /nfs/dbraw/zinc/34/27/72/165342772.db2.gz GUXINNWWPCFFFE-LBPRGKRZSA-N -1 3 284.359 3.183 20 0 CGADHM COc1ccccc1[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000094102421 165345014 /nfs/dbraw/zinc/34/50/14/165345014.db2.gz HWWBKKZKWQOEHP-HNNXBMFYSA-N -1 3 297.354 3.378 20 0 CGADHM Cc1cccc(C(=O)N2CC[C@H](Nc3ccccc3)C2)c1[O-] ZINC000102898592 165417645 /nfs/dbraw/zinc/41/76/45/165417645.db2.gz AMBGPZASSJNVIC-HNNXBMFYSA-N -1 3 296.370 3.027 20 0 CGADHM COc1ccc(CN(C)C(=O)c2cccc(C)c2[O-])cc1C ZINC000103023323 287126074 /nfs/dbraw/zinc/12/60/74/287126074.db2.gz DIQVPQBPGWMHJO-UHFFFAOYSA-N -1 3 299.370 3.290 20 0 CGADHM Cc1cccc(-c2nc(Cc3ccccc3)no2)c1[O-] ZINC000109036991 287127186 /nfs/dbraw/zinc/12/71/86/287127186.db2.gz NTOYQPXOZNKYGN-UHFFFAOYSA-N -1 3 266.300 3.341 20 0 CGADHM [O-]c1ccccc1-c1nc(-c2cccc(F)c2)no1 ZINC000109037315 287127630 /nfs/dbraw/zinc/12/76/30/287127630.db2.gz WDWMUDLWUVNWQB-UHFFFAOYSA-N -1 3 256.236 3.248 20 0 CGADHM Cc1cc(C)c(CNC(=O)c2cccc([O-])c2)c(C)c1 ZINC000181865939 165691904 /nfs/dbraw/zinc/69/19/04/165691904.db2.gz DBLKHYOEIPDIMV-UHFFFAOYSA-N -1 3 269.344 3.247 20 0 CGADHM C[C@@H](Sc1ccccn1)C(=O)Nc1ccc([O-])cc1F ZINC000183285608 165707626 /nfs/dbraw/zinc/70/76/26/165707626.db2.gz WKTACDJFMGLZFP-SECBINFHSA-N -1 3 292.335 3.046 20 0 CGADHM [O-]c1ccccc1-c1nc(Cc2cccc(F)c2)no1 ZINC000111688732 287136336 /nfs/dbraw/zinc/13/63/36/287136336.db2.gz FINGPMYNSNVXQV-UHFFFAOYSA-N -1 3 270.263 3.172 20 0 CGADHM COc1ccccc1Cc1noc(-c2ccccc2[O-])n1 ZINC000111688767 287136358 /nfs/dbraw/zinc/13/63/58/287136358.db2.gz XPGHKBHQPYKFKU-UHFFFAOYSA-N -1 3 282.299 3.042 20 0 CGADHM Cc1cccc(O[C@@H](C)C(=O)Nc2ccccc2[O-])c1 ZINC000008215299 170324928 /nfs/dbraw/zinc/32/49/28/170324928.db2.gz TXRAKCRKZSZAOB-LBPRGKRZSA-N -1 3 271.316 3.107 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2cc(F)cc(F)c2)c1 ZINC000019840193 170889045 /nfs/dbraw/zinc/88/90/45/170889045.db2.gz VKNPHGGFRMOMAU-UHFFFAOYSA-N -1 3 263.243 3.231 20 0 CGADHM CCCCN(CCCC)C(=O)c1cccc(OC)c1[O-] ZINC000020304331 171141091 /nfs/dbraw/zinc/14/10/91/171141091.db2.gz TZBOJHGZWUVKHK-UHFFFAOYSA-N -1 3 279.380 3.443 20 0 CGADHM O=C(c1ccccc1[O-])N1CCC[C@H]2CCCC[C@@H]21 ZINC000035219397 172060034 /nfs/dbraw/zinc/06/00/34/172060034.db2.gz QHSQBVFFRFGORM-OCCSQVGLSA-N -1 3 259.349 3.187 20 0 CGADHM CC(C)[C@@H](NCc1csc(-c2ccsc2)n1)C(=O)[O-] ZINC000035391290 172175722 /nfs/dbraw/zinc/17/57/22/172175722.db2.gz HEONCPFZSQZIAW-LLVKDONJSA-N -1 3 296.417 3.070 20 0 CGADHM CCC[C@@H](CC)NC(=O)Cc1ccc([O-])cc1Cl ZINC000126872146 287275571 /nfs/dbraw/zinc/27/55/71/287275571.db2.gz CRJWKPAMLICJFF-LLVKDONJSA-N -1 3 269.772 3.283 20 0 CGADHM COCC1(C(=O)Nc2cc(Cl)cc(C)c2[O-])CCC1 ZINC000285747395 196386890 /nfs/dbraw/zinc/38/68/90/196386890.db2.gz UOJOSUODLJLWIW-UHFFFAOYSA-N -1 3 283.755 3.109 20 0 CGADHM Cc1ccc(NC(=O)c2cc(-c3ccncc3)on2)c([O-])c1 ZINC000127081121 287279766 /nfs/dbraw/zinc/27/97/66/287279766.db2.gz OTFNLPIHZPBWJY-UHFFFAOYSA-N -1 3 295.298 3.003 20 0 CGADHM C[C@@H]1CCCC[C@@H]1C(=O)N1CCCc2cccc([O-])c21 ZINC000424745926 287280043 /nfs/dbraw/zinc/28/00/43/287280043.db2.gz KMGOOJNPTRVPNA-OCCSQVGLSA-N -1 3 273.376 3.498 20 0 CGADHM CC(C)c1ncc(C(=O)Nc2cc(F)ccc2[O-])s1 ZINC000127143845 287281924 /nfs/dbraw/zinc/28/19/24/287281924.db2.gz NSSZCFLAFLTNTP-UHFFFAOYSA-N -1 3 280.324 3.364 20 0 CGADHM COc1cccc(CCC(=O)Nc2cccc([O-])c2F)c1 ZINC000128509421 287312515 /nfs/dbraw/zinc/31/25/15/287312515.db2.gz AFUMQSVFQUCHNB-UHFFFAOYSA-N -1 3 289.306 3.111 20 0 CGADHM O=C(CCOc1ccc(F)cc1)Nc1cccc([O-])c1F ZINC000128549884 287313438 /nfs/dbraw/zinc/31/34/38/287313438.db2.gz KRABOIFINGKEDS-UHFFFAOYSA-N -1 3 293.269 3.078 20 0 CGADHM O=C(CC1CCSCC1)Nc1cccc([O-])c1F ZINC000129388647 287330244 /nfs/dbraw/zinc/33/02/44/287330244.db2.gz QZZLLXANMPZRID-UHFFFAOYSA-N -1 3 269.341 3.003 20 0 CGADHM CC1(C(=O)[O-])CCN(Cc2ccc(Cl)s2)CC1 ZINC000062844417 416487530 /nfs/dbraw/zinc/48/75/30/416487530.db2.gz CRRDZRDDKMFLBM-UHFFFAOYSA-N -1 3 273.785 3.088 20 0 CGADHM CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(C)ccc1F ZINC000048465169 416452652 /nfs/dbraw/zinc/45/26/52/416452652.db2.gz VPJYUYGZZDOHIR-TZMCWYRMSA-N -1 3 299.411 3.381 20 0 CGADHM Cc1ccc(C(=O)N[C@H](C)Cc2ccsc2)c([O-])c1C ZINC000048751891 416459576 /nfs/dbraw/zinc/45/95/76/416459576.db2.gz NVHOWALYPTZUPM-LLVKDONJSA-N -1 3 289.400 3.432 20 0 CGADHM Cc1ccc(CN(C(=O)c2cccc([O-])c2)C2CC2)o1 ZINC000679629554 543651609 /nfs/dbraw/zinc/65/16/09/543651609.db2.gz GUCZEMGSGPGFRU-UHFFFAOYSA-N -1 3 271.316 3.098 20 0 CGADHM COc1cccc(C(=O)N2CCC[C@H]2CC(C)(C)C)c1[O-] ZINC000130194143 287346959 /nfs/dbraw/zinc/34/69/59/287346959.db2.gz QXTBGFWZKBCKBG-LBPRGKRZSA-N -1 3 291.391 3.442 20 0 CGADHM CC1(C)c2ccccc2CCN1C(=O)c1ccc(O)cc1[O-] ZINC000679645045 543653246 /nfs/dbraw/zinc/65/32/46/543653246.db2.gz YBAKMKLFYHMONR-UHFFFAOYSA-N -1 3 297.354 3.031 20 0 CGADHM CCCN(CC)c1ccc(C(=O)Nc2ccccc2[O-])cn1 ZINC000130283627 287350080 /nfs/dbraw/zinc/35/00/80/287350080.db2.gz WPXWWSAPPYEXSC-UHFFFAOYSA-N -1 3 299.374 3.276 20 0 CGADHM Cc1ccc(C(=O)N2CC[C@H](C(C)(C)C)C2)c([O-])c1 ZINC000131374358 287377693 /nfs/dbraw/zinc/37/76/93/287377693.db2.gz GXZHECUVYDHDAZ-LBPRGKRZSA-N -1 3 261.365 3.209 20 0 CGADHM Cc1nc(C(=O)[N-]c2c(C)noc2C2CC2)sc1C ZINC000683570106 543926799 /nfs/dbraw/zinc/92/67/99/543926799.db2.gz NMDJRBNUQNJJQC-UHFFFAOYSA-N -1 3 277.349 3.186 20 0 CGADHM C[C@H](CC1CCCCC1)NC(=O)c1cccc2nn[n-]c21 ZINC000683883072 543950043 /nfs/dbraw/zinc/95/00/43/543950043.db2.gz MOTSWLJTGYJJIP-LLVKDONJSA-N -1 3 286.379 3.047 20 0 CGADHM C[C@H](CC1CCCCC1)NC(=O)c1cccc2[n-]nnc21 ZINC000683883072 543950045 /nfs/dbraw/zinc/95/00/45/543950045.db2.gz MOTSWLJTGYJJIP-LLVKDONJSA-N -1 3 286.379 3.047 20 0 CGADHM C[C@H](CC1CCCCC1)NC(=O)c1cccc2n[n-]nc21 ZINC000683883072 543950047 /nfs/dbraw/zinc/95/00/47/543950047.db2.gz MOTSWLJTGYJJIP-LLVKDONJSA-N -1 3 286.379 3.047 20 0 CGADHM Cc1c(Br)ccc(C(=O)[N-]c2cnoc2)c1F ZINC000684045134 543962998 /nfs/dbraw/zinc/96/29/98/543962998.db2.gz XXUYMVZXNAUTCA-UHFFFAOYSA-N -1 3 299.099 3.137 20 0 CGADHM C[C@@H](CNC(=O)c1cc([O-])ccc1C(F)(F)F)C1CC1 ZINC000684407464 543994571 /nfs/dbraw/zinc/99/45/71/543994571.db2.gz IHRBMVYFMHLUTQ-QMMMGPOBSA-N -1 3 287.281 3.187 20 0 CGADHM CC(=O)CCC(C)(C)C(=O)Nc1ccc(C)cc1[O-] ZINC000135926202 287477257 /nfs/dbraw/zinc/47/72/57/287477257.db2.gz RQGDIWIHAXXGRM-UHFFFAOYSA-N -1 3 263.337 3.035 20 0 CGADHM CC(C)n1cc(NC(=O)Cc2ccc([O-])cc2Cl)cn1 ZINC000136252470 287481637 /nfs/dbraw/zinc/48/16/37/287481637.db2.gz ZRXBVEVXVMAYGF-UHFFFAOYSA-N -1 3 293.754 3.004 20 0 CGADHM CC(C)[C@H]1CN([C@@H](C(=O)[O-])c2ccc(F)cc2)CCS1 ZINC000652438889 418968979 /nfs/dbraw/zinc/96/89/79/418968979.db2.gz KRUAUZANTOTPID-ZIAGYGMSSA-N -1 3 297.395 3.025 20 0 CGADHM Cc1ncccc1CN(CCCC(=O)[O-])Cc1ccccc1 ZINC000652494709 418975207 /nfs/dbraw/zinc/97/52/07/418975207.db2.gz XFUZLVVKTYMAMJ-UHFFFAOYSA-N -1 3 298.386 3.257 20 0 CGADHM CC(C)C[C@H]1CCCCCN1C(=O)Cc1cncc([O-])c1 ZINC000655392335 419045932 /nfs/dbraw/zinc/04/59/32/419045932.db2.gz LDIRVEITSMFDEK-OAHLLOKOSA-N -1 3 290.407 3.147 20 0 CGADHM CSc1ccc([O-])c(C(=O)N2CCCCCC2)c1 ZINC000665058958 419046858 /nfs/dbraw/zinc/04/68/58/419046858.db2.gz HWOOVWUSBYXEMJ-UHFFFAOYSA-N -1 3 265.378 3.130 20 0 CGADHM C[C@H](NC(=O)c1c([O-])cccc1O)C1CCC(F)(F)CC1 ZINC000655412312 419048541 /nfs/dbraw/zinc/04/85/41/419048541.db2.gz RSIQWWJYHUQJOH-VIFPVBQESA-N -1 3 299.317 3.042 20 0 CGADHM Cc1nc(C(C)C)ccc1CN1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000659801360 418995643 /nfs/dbraw/zinc/99/56/43/418995643.db2.gz RGTXUTRVGYWNNV-DOMZBBRYSA-N -1 3 290.407 3.056 20 0 CGADHM CCc1cc(C(=O)NC2(C3CCC3)CC2)ccc1[O-] ZINC000652867977 418996256 /nfs/dbraw/zinc/99/62/56/418996256.db2.gz JRYSMFFHKIQYBW-UHFFFAOYSA-N -1 3 259.349 3.017 20 0 CGADHM C[C@@H]1CN(C(=O)c2cccc([O-])c2)CCc2ccc(F)cc21 ZINC000652996044 419009689 /nfs/dbraw/zinc/00/96/89/419009689.db2.gz UFSYGZRFGZIRHB-GFCCVEGCSA-N -1 3 299.345 3.333 20 0 CGADHM O=C(NCC1CCCCCC1)c1cc(=O)c2ccccc2[n-]1 ZINC000653817061 419091074 /nfs/dbraw/zinc/09/10/74/419091074.db2.gz JDZWBALZLGSLNB-UHFFFAOYSA-N -1 3 298.386 3.228 20 0 CGADHM CCc1cccc(F)c1CN1CCC(CCC(=O)[O-])CC1 ZINC000665343599 419113754 /nfs/dbraw/zinc/11/37/54/419113754.db2.gz ODELIEQCJDHSNH-UHFFFAOYSA-N -1 3 293.382 3.465 20 0 CGADHM C1CC1[C@H]([N-]c1nc(C2CCC2)no1)[C@H]1CCCCO1 ZINC000656206474 419150158 /nfs/dbraw/zinc/15/01/58/419150158.db2.gz FEFUQYMYGAMMLG-OLZOCXBDSA-N -1 3 277.368 3.097 20 0 CGADHM [O-]c1cc(CN2CC3(CC3(F)F)C2)cc(C(F)(F)F)c1 ZINC000656265478 419159287 /nfs/dbraw/zinc/15/92/87/419159287.db2.gz PHPFQGIWAPALOV-UHFFFAOYSA-N -1 3 293.235 3.252 20 0 CGADHM Cn1ncc(C2CC2)c1C=Cc1cc(=O)[n-]c(C(C)(C)C)n1 ZINC000656613687 419186465 /nfs/dbraw/zinc/18/64/65/419186465.db2.gz NWYINILRZMLAOP-BQYQJAHWSA-N -1 3 298.390 3.261 20 0 CGADHM C[C@H](c1ccc(C(=O)[O-])o1)N1CCC[C@@H](CCF)C1 ZINC000656762994 419212919 /nfs/dbraw/zinc/21/29/19/419212919.db2.gz JNULTKWUSKHXAZ-MNOVXSKESA-N -1 3 269.316 3.110 20 0 CGADHM Cc1ccnc(-c2noc(-c3cc(-c4ccco4)n[n-]3)n2)c1 ZINC000355911173 228047514 /nfs/dbraw/zinc/04/75/14/228047514.db2.gz SLFINSWASFSSLL-UHFFFAOYSA-N -1 3 293.286 3.090 20 0 CGADHM Cc1ccnc(-c2noc(-c3cc(-c4ccco4)[n-]n3)n2)c1 ZINC000355911173 228047516 /nfs/dbraw/zinc/04/75/16/228047516.db2.gz SLFINSWASFSSLL-UHFFFAOYSA-N -1 3 293.286 3.090 20 0 CGADHM Cc1ccc(C(=O)N2CCc3c2cc(F)cc3F)c([O-])c1 ZINC000192597815 228164808 /nfs/dbraw/zinc/16/48/08/228164808.db2.gz ZMEASBDBBFKSDC-UHFFFAOYSA-N -1 3 289.281 3.182 20 0 CGADHM COc1cccc(CN2C[C@H](C(=O)[O-])CC[C@@H]2C)c1Cl ZINC000662213224 419361779 /nfs/dbraw/zinc/36/17/79/419361779.db2.gz UQGVOOGKWQWXJC-CMPLNLGQSA-N -1 3 297.782 3.034 20 0 CGADHM CCN(Cc1cc(Cl)ccc1Cl)[C@@H](C)C(=O)[O-] ZINC000662213949 419363922 /nfs/dbraw/zinc/36/39/22/419363922.db2.gz BUIRATPZVCJJCT-QMMMGPOBSA-N -1 3 276.163 3.288 20 0 CGADHM CCSCc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000194097494 287613287 /nfs/dbraw/zinc/61/32/87/287613287.db2.gz GPSKFWFCGOLZEB-UHFFFAOYSA-N -1 3 292.385 3.498 20 0 CGADHM CCS[C@@H]1CCC[C@H]1NC(=O)c1cc(C)ccc1[O-] ZINC000225706302 287632927 /nfs/dbraw/zinc/63/29/27/287632927.db2.gz ILYYZTLNGFSBDE-TZMCWYRMSA-N -1 3 279.405 3.105 20 0 CGADHM COc1ccc([O-])c(-c2nc(-c3cc(C)cc(C)n3)no2)c1 ZINC000318834666 262072801 /nfs/dbraw/zinc/07/28/01/262072801.db2.gz ALXFOAKLDGGYDU-UHFFFAOYSA-N -1 3 297.314 3.130 20 0 CGADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@@H]1C[C@H]1C1CCC1 ZINC000424964934 264399940 /nfs/dbraw/zinc/39/99/40/264399940.db2.gz DYDPQPNDAVCGLN-DZGCQCFKSA-N -1 3 291.366 3.159 20 0 CGADHM Cc1cccc(-c2nc(-c3ncccc3C)no2)c1[O-] ZINC000034396396 270027477 /nfs/dbraw/zinc/02/74/77/270027477.db2.gz WLGNVPSKOUHSPX-UHFFFAOYSA-N -1 3 267.288 3.121 20 0 CGADHM CCOCCN(Cc1ccc(C(=O)[O-])o1)CC1(C)CCC1 ZINC000519167373 265342518 /nfs/dbraw/zinc/34/25/18/265342518.db2.gz RPMMNQCQJXVFAQ-UHFFFAOYSA-N -1 3 295.379 3.007 20 0 CGADHM Cc1ccccc1/C=C/C(=O)Nc1ccc([O-])cc1F ZINC000186286103 270065307 /nfs/dbraw/zinc/06/53/07/270065307.db2.gz NLDFTVSWYLHBKJ-RMKNXTFCSA-N -1 3 271.291 3.492 20 0 CGADHM CS[C@@H]1CCC[C@@H](NC(=O)c2cccc(C)c2[O-])C1 ZINC000227354607 270086990 /nfs/dbraw/zinc/08/69/90/270086990.db2.gz HBVMINKPXAEVAP-VXGBXAGGSA-N -1 3 279.405 3.105 20 0 CGADHM O=C([O-])[C@H](NCc1ccnc2ccccc12)c1ccccc1 ZINC000315644353 270092484 /nfs/dbraw/zinc/09/24/84/270092484.db2.gz ATKUQTQJHUSWSQ-QGZVFWFLSA-N -1 3 292.338 3.150 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)c2cccc(C)c2)c1-c1ccccc1 ZINC000522168273 270105181 /nfs/dbraw/zinc/10/51/81/270105181.db2.gz LTYASFLSBMCHHR-UHFFFAOYSA-N -1 3 291.354 3.368 20 0 CGADHM Cc1cccc([C@@H](Nc2cc(Cl)c(=O)[n-]n2)C(C)C)c1 ZINC000528215645 270158004 /nfs/dbraw/zinc/15/80/04/270158004.db2.gz WAHHCULYLTUVOU-AWEZNQCLSA-N -1 3 291.782 3.375 20 0 CGADHM CCc1ccc(-c2nc([C@@H]3CC[C@@H](C)O3)no2)c([O-])c1 ZINC000528235923 270159159 /nfs/dbraw/zinc/15/91/59/270159159.db2.gz LWZIZGIKYAAGOB-RNCFNFMXSA-N -1 3 274.320 3.245 20 0 CGADHM CC(C)(C)CCCN1CCc2occc2[C@H]1C(=O)[O-] ZINC000530165350 270195191 /nfs/dbraw/zinc/19/51/91/270195191.db2.gz FXAAARYWYUJLAU-ZDUSSCGKSA-N -1 3 265.353 3.090 20 0 CGADHM O=C([O-])c1ccc(F)c2c1CN(CC1=CCCCC1)CC2 ZINC000530168571 270195275 /nfs/dbraw/zinc/19/52/75/270195275.db2.gz KHDCTVKPPIGIMR-UHFFFAOYSA-N -1 3 289.350 3.382 20 0 CGADHM O=C([O-])[C@@H]1c2ccoc2CCN1CC/C=C/c1ccccc1 ZINC000530166484 270195402 /nfs/dbraw/zinc/19/54/02/270195402.db2.gz NOKNQBMPAYIVTA-AUNFYEFLSA-N -1 3 297.354 3.367 20 0 CGADHM CCC[C@@H]1C[C@H]1C(=O)N=c1[nH][n-]c(C)c1-c1ccc(C)cc1 ZINC000530272717 270198293 /nfs/dbraw/zinc/19/82/93/270198293.db2.gz NQLFBHUQJYSFCK-HUUCEWRRSA-N -1 3 297.402 3.490 20 0 CGADHM CCc1cccc(C(=O)Nc2cnc(C(C)C)nc2)c1[O-] ZINC000530318371 270198642 /nfs/dbraw/zinc/19/86/42/270198642.db2.gz GTTLNZHIISODGD-UHFFFAOYSA-N -1 3 285.347 3.120 20 0 CGADHM C[C@@H](NC(=O)c1cc([O-])ccc1Cl)C(C)(C)C ZINC000235205637 287649143 /nfs/dbraw/zinc/64/91/43/287649143.db2.gz CEHZHSAKHYGGIY-MRVPVSSYSA-N -1 3 255.745 3.210 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N[C@H](C)[C@H](C)c2ccccc2)n1 ZINC000248774935 287783884 /nfs/dbraw/zinc/78/38/84/287783884.db2.gz UEFNHNCPEURUBY-MJBXVCDLSA-N -1 3 285.391 3.333 20 0 CGADHM CC(C)c1ccc(C(=O)N2CCS[C@@H](C)[C@@H]2C)c([O-])c1 ZINC000436528179 275732999 /nfs/dbraw/zinc/73/29/99/275732999.db2.gz KMEHMXBATNYIEW-RYUDHWBXSA-N -1 3 293.432 3.482 20 0 CGADHM Cc1cccc([O-])c1NC(=O)/C=C\c1ccc2c(c1)OCO2 ZINC000255121056 287858352 /nfs/dbraw/zinc/85/83/52/287858352.db2.gz QDHVFRBCEAVSQY-VURMDHGXSA-N -1 3 297.310 3.081 20 0 CGADHM CC1(C(=O)Nc2nnc(-c3ccco3)[n-]2)CCCCCC1 ZINC000411292338 276097879 /nfs/dbraw/zinc/09/78/79/276097879.db2.gz KGZRWEWLIUFXMV-UHFFFAOYSA-N -1 3 288.351 3.364 20 0 CGADHM CC1(C(=O)Nc2nc(-c3ccco3)n[n-]2)CCCCCC1 ZINC000411292338 276097880 /nfs/dbraw/zinc/09/78/80/276097880.db2.gz KGZRWEWLIUFXMV-UHFFFAOYSA-N -1 3 288.351 3.364 20 0 CGADHM CC1(C(=O)Nc2n[n-]c(-c3ccco3)n2)CCCCCC1 ZINC000411292338 276097881 /nfs/dbraw/zinc/09/78/81/276097881.db2.gz KGZRWEWLIUFXMV-UHFFFAOYSA-N -1 3 288.351 3.364 20 0 CGADHM CC1(C)CN(Cc2cc([O-])cc(F)c2)[C@@H]2CCC[C@H]2O1 ZINC000442967539 276133801 /nfs/dbraw/zinc/13/38/01/276133801.db2.gz URGBTUPARJLSFW-HUUCEWRRSA-N -1 3 279.355 3.063 20 0 CGADHM COc1cccc(C(=O)N[C@H](C)CCc2ccccc2)c1[O-] ZINC000301217611 287928129 /nfs/dbraw/zinc/92/81/29/287928129.db2.gz FFHLPKGOEGUMOW-CYBMUJFWSA-N -1 3 299.370 3.152 20 0 CGADHM C[C@@H]1CCc2c(sc3[n-]c(-c4ccccn4)nc(=O)c23)C1 ZINC000020369410 277804917 /nfs/dbraw/zinc/80/49/17/277804917.db2.gz GWBJYSUPVNNBLV-SECBINFHSA-N -1 3 297.383 3.171 20 0 CGADHM Cc1cc(C(=O)N2CCCC[C@H]2C(C)C)ccc1[O-] ZINC000395760423 288010517 /nfs/dbraw/zinc/01/05/17/288010517.db2.gz LKQUZKWIZWRJNK-AWEZNQCLSA-N -1 3 261.365 3.351 20 0 CGADHM CC1(C)CCC([N-]S(=O)(=O)c2ccccc2F)CC1 ZINC000079677644 278201035 /nfs/dbraw/zinc/20/10/35/278201035.db2.gz VQJRVCIINSXARZ-UHFFFAOYSA-N -1 3 285.384 3.073 20 0 CGADHM C[C@H]1CCN(C(=O)C(F)(F)C(F)F)c2c([O-])cccc21 ZINC000274354000 278356966 /nfs/dbraw/zinc/35/69/66/278356966.db2.gz IRHQPQHMHMAYAV-ZETCQYMHSA-N -1 3 291.244 3.133 20 0 CGADHM O=c1cc(CNC2(C(F)F)CCCCC2)nc(C2CC2)[n-]1 ZINC000459473751 288093530 /nfs/dbraw/zinc/09/35/30/288093530.db2.gz XIBRCPRJHFFKPC-UHFFFAOYSA-N -1 3 297.349 3.117 20 0 CGADHM C[C@H]1CCN(C(=O)/C=C\c2ccc[nH]2)c2c([O-])cccc21 ZINC000491981949 279695122 /nfs/dbraw/zinc/69/51/22/279695122.db2.gz XPOUZZVNURQFLT-KRZKBDHCSA-N -1 3 282.343 3.274 20 0 CGADHM C[C@H]1CCN(C(=O)c2cncc(F)c2)c2c([O-])cccc21 ZINC000274377735 279714207 /nfs/dbraw/zinc/71/42/07/279714207.db2.gz MCXDLGQSKXBOOF-JTQLQIEISA-N -1 3 286.306 3.080 20 0 CGADHM O=C(Nc1ccc([O-])cc1F)c1c[nH]c(=O)c2ccccc12 ZINC000527299151 288164849 /nfs/dbraw/zinc/16/48/49/288164849.db2.gz BRWJUXOSRWNRCU-UHFFFAOYSA-N -1 3 298.273 3.037 20 0 CGADHM CC(C)[C@H]1CC[C@@H](C)C[C@H]1[N-]S(=O)(=O)c1ccco1 ZINC000527326463 288166898 /nfs/dbraw/zinc/16/68/98/288166898.db2.gz JPHUXEGSUNTBIZ-JHJVBQTASA-N -1 3 285.409 3.019 20 0 CGADHM Cc1ccc(NC(=O)[C@H]2CC(C)(C)OC2(C)C)c([O-])c1 ZINC000527660326 288184253 /nfs/dbraw/zinc/18/42/53/288184253.db2.gz UTVHRCATLNIRLR-LLVKDONJSA-N -1 3 277.364 3.233 20 0 CGADHM O=C(c1ccccc1[O-])N1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000368762834 280213845 /nfs/dbraw/zinc/21/38/45/280213845.db2.gz WMHDVBIOYCYHEN-OAHLLOKOSA-N -1 3 299.345 3.379 20 0 CGADHM O=C([N-]OCCC1CC1)[C@@H]1CC[C@@H]1c1ccc(F)cc1 ZINC000529424652 288245975 /nfs/dbraw/zinc/24/59/75/288245975.db2.gz JVRUIAXKDOVGTP-HUUCEWRRSA-N -1 3 277.339 3.167 20 0 CGADHM CC(C)c1ccc(C(=O)NCC[C@@H]2CCCOC2)c([O-])c1 ZINC000529602101 288270993 /nfs/dbraw/zinc/27/09/93/288270993.db2.gz WZVNDLGUMVEFKW-ZDUSSCGKSA-N -1 3 291.391 3.062 20 0 CGADHM O=C(CC1CCC(=O)CC1)Nc1ccc(Cl)cc1[O-] ZINC000530559312 288310738 /nfs/dbraw/zinc/31/07/38/288310738.db2.gz HANXVFDLLKCRJW-UHFFFAOYSA-N -1 3 281.739 3.134 20 0 CGADHM CCc1c(C)sc2[n-]c(-c3cc(C)ccn3)nc(=O)c12 ZINC000111664994 281368425 /nfs/dbraw/zinc/36/84/25/281368425.db2.gz ALCYCTKUFHYMOO-UHFFFAOYSA-N -1 3 285.372 3.226 20 0 CGADHM CCCOc1cc(C)ccc1[N-]S(=O)(=O)CCC1CC1 ZINC000536117864 288473814 /nfs/dbraw/zinc/47/38/14/288473814.db2.gz ZGZOPMSVIYMSEX-UHFFFAOYSA-N -1 3 297.420 3.326 20 0 CGADHM CCc1cccc(C(=O)N2CCC[C@@H]2c2cccnc2)c1[O-] ZINC000538746880 288587457 /nfs/dbraw/zinc/58/74/57/288587457.db2.gz KLVZBPJRTUZQJH-MRXNPFEDSA-N -1 3 296.370 3.327 20 0 CGADHM CCN(Cc1ccc(C)cc1)C(=O)c1ccc(O)cc1[O-] ZINC000543748874 288818654 /nfs/dbraw/zinc/81/86/54/288818654.db2.gz FAXFDGHFPRPOMI-UHFFFAOYSA-N -1 3 285.343 3.069 20 0 CGADHM Cc1nnccc1C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000548817358 289024196 /nfs/dbraw/zinc/02/41/96/289024196.db2.gz LLQIYGQQAWQIPR-UHFFFAOYSA-N -1 3 285.347 3.040 20 0 CGADHM CCc1cccc(C(=O)N2CCc3cccc(F)c3C2)c1[O-] ZINC000551943673 289141823 /nfs/dbraw/zinc/14/18/23/289141823.db2.gz WFOWDBVWOZWOKA-UHFFFAOYSA-N -1 3 299.345 3.292 20 0 CGADHM Cc1cccc2cc(C(=O)N=c3cc4ccccn4[n-]3)oc21 ZINC000552988418 289204582 /nfs/dbraw/zinc/20/45/82/289204582.db2.gz WBDJDOGCQNOLGL-UHFFFAOYSA-N -1 3 291.310 3.063 20 0 CGADHM CC1(C)CC[C@@H]1NCc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000554523284 289289805 /nfs/dbraw/zinc/28/98/05/289289805.db2.gz XZSUAONVIAWRNC-LBPRGKRZSA-N -1 3 297.358 3.360 20 0 CGADHM Cc1ccc(-c2noc(-c3cccc(C)c3[O-])n2)o1 ZINC000559886551 289558709 /nfs/dbraw/zinc/55/87/09/289558709.db2.gz TXFLRYLJZPTYQL-UHFFFAOYSA-N -1 3 256.261 3.319 20 0 CGADHM O=C(CC1(C(F)(F)F)CC1)Nc1cccc([O-])c1F ZINC000562345932 289694836 /nfs/dbraw/zinc/69/48/36/289694836.db2.gz OBBSCSLUKVCBGL-UHFFFAOYSA-N -1 3 277.217 3.202 20 0 CGADHM CCC[C@@H](C)C[C@H](NCc1ccc(F)cc1F)C(=O)[O-] ZINC000562929100 289743703 /nfs/dbraw/zinc/74/37/03/289743703.db2.gz CZXRTFDTXPDYOZ-YGRLFVJLSA-N -1 3 285.334 3.334 20 0 CGADHM COc1cccc(C(=O)N2[C@H](C)C[C@H]3CCCC[C@@H]32)c1[O-] ZINC000173050919 295287695 /nfs/dbraw/zinc/28/76/95/295287695.db2.gz POCYXZIPRYUUKA-BZPMIXESSA-N -1 3 289.375 3.194 20 0 CGADHM C[C@@H]1C[C@H](C)N(C(=O)c2cc3c(cc2[O-])CCCC3)C1 ZINC000436564878 297366485 /nfs/dbraw/zinc/36/64/85/297366485.db2.gz PVSCWVXHDSDXHL-NEPJUHHUSA-N -1 3 273.376 3.142 20 0 CGADHM C[C@H](C(=O)[O-])N(Cc1cc2ccccc2o1)C1CCC1 ZINC000516665056 298214674 /nfs/dbraw/zinc/21/46/74/298214674.db2.gz SBAXGAZZVIXPNL-LLVKDONJSA-N -1 3 273.332 3.260 20 0 CGADHM C[C@H]1CC[C@H](C(=O)[O-])CN1Cc1ccc(Cl)cc1 ZINC000263452271 300054885 /nfs/dbraw/zinc/05/48/85/300054885.db2.gz AFSAVMPHNOEOIB-JQWIXIFHSA-N -1 3 267.756 3.025 20 0 CGADHM C[C@H]1CN(C(=O)c2cc([O-])ccc2Cl)C(C)(C)C1 ZINC000341780398 300187656 /nfs/dbraw/zinc/18/76/56/300187656.db2.gz ISLNMINXIRDTIT-SECBINFHSA-N -1 3 267.756 3.306 20 0 CGADHM Cc1cc(C(=O)N2CCC3(CCCC3)CC2)ccc1[O-] ZINC000226997943 301086814 /nfs/dbraw/zinc/08/68/14/301086814.db2.gz QUAJJIMMJRXINZ-UHFFFAOYSA-N -1 3 273.376 3.497 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2C[C@H](C)[C@@H]3CCCC[C@@H]32)c1 ZINC000180528049 301652002 /nfs/dbraw/zinc/65/20/02/301652002.db2.gz DEASOXAQHSXGES-YDHLFZDLSA-N -1 3 273.376 3.351 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2ccc([C@@H]3CCOC3)cc2)c1 ZINC000580112661 327703061 /nfs/dbraw/zinc/70/30/61/327703061.db2.gz WCPNPRNAWBDYBH-CQSZACIVSA-N -1 3 297.354 3.457 20 0 CGADHM Cc1cccc2c1CC[C@H]2NC(=O)Cc1ccc([O-])c(F)c1 ZINC000564704764 322039863 /nfs/dbraw/zinc/03/98/63/322039863.db2.gz JXMONMLSZUNPHV-MRXNPFEDSA-N -1 3 299.345 3.186 20 0 CGADHM CC(C)[C@H](C(=O)N=c1cc2ccccn2[n-]1)c1ccccc1 ZINC000565320398 322073317 /nfs/dbraw/zinc/07/33/17/322073317.db2.gz BMYJBCRCLSLFEG-KRWDZBQOSA-N -1 3 293.370 3.135 20 0 CGADHM Cc1oc(CN2CC[C@]3(CC[C@H](C)C3)C2)cc1C(=O)[O-] ZINC000566362765 322118933 /nfs/dbraw/zinc/11/89/33/322118933.db2.gz WTVFWZZEQLQTGZ-ZBEGNZNMSA-N -1 3 277.364 3.298 20 0 CGADHM CSc1ccc([C@H](C)NCc2ncccc2[O-])cc1 ZINC000566528889 322128184 /nfs/dbraw/zinc/12/81/84/322128184.db2.gz BNXZJHKAFHFDMG-NSHDSACASA-N -1 3 274.389 3.360 20 0 CGADHM CC(C)CC1(C)CCN(Cc2oncc2C(=O)[O-])CC1 ZINC000566510539 322128260 /nfs/dbraw/zinc/12/82/60/322128260.db2.gz UQUINKLACGFHLY-UHFFFAOYSA-N -1 3 280.368 3.021 20 0 CGADHM CCc1cc(C(=O)NCCC2CCCC2)ccc1[O-] ZINC000566872278 322141602 /nfs/dbraw/zinc/14/16/02/322141602.db2.gz BWTJQBHNISIJNX-UHFFFAOYSA-N -1 3 261.365 3.265 20 0 CGADHM CCCC1(C(=O)Nc2cccc(C(C)=O)c2[O-])CC1 ZINC000567738123 322175438 /nfs/dbraw/zinc/17/54/38/322175438.db2.gz AJLKWNBZHJMQLI-UHFFFAOYSA-N -1 3 261.321 3.114 20 0 CGADHM CC(=O)c1cccc(NC(=O)C[C@@H]2CCC[C@H]2C)c1[O-] ZINC000568884771 322226216 /nfs/dbraw/zinc/22/62/16/322226216.db2.gz AFPCELPZEHXBFG-PWSUYJOCSA-N -1 3 275.348 3.360 20 0 CGADHM CC(=O)c1cccc(NC(=O)C[C@H]2CCC[C@@H]2C)c1[O-] ZINC000568884769 322226342 /nfs/dbraw/zinc/22/63/42/322226342.db2.gz AFPCELPZEHXBFG-CMPLNLGQSA-N -1 3 275.348 3.360 20 0 CGADHM C[C@H]1C[C@@H]1c1noc(CCCc2ccc([O-])c(F)c2)n1 ZINC000569289523 322242057 /nfs/dbraw/zinc/24/20/57/322242057.db2.gz AELKZLRCVUJHQW-ONGXEEELSA-N -1 3 276.311 3.213 20 0 CGADHM Cc1cc([C@@H](C)N2CCCCCC2)oc1C(=O)[O-] ZINC000570051464 322263825 /nfs/dbraw/zinc/26/38/25/322263825.db2.gz PZPOIIWVBJKXJO-LLVKDONJSA-N -1 3 251.326 3.223 20 0 CGADHM CC[C@@H](c1ccccc1)N(CC)C(=O)Cc1cncc([O-])c1 ZINC000570291178 322270246 /nfs/dbraw/zinc/27/02/46/322270246.db2.gz FALSIEHHZKHLFT-KRWDZBQOSA-N -1 3 298.386 3.330 20 0 CGADHM CCN(Cc1ccoc1C(=O)[O-])[C@@H](C)Cc1ccsc1 ZINC000570521583 322275755 /nfs/dbraw/zinc/27/57/55/322275755.db2.gz GDNIHNFAXXDMLH-NSHDSACASA-N -1 3 293.388 3.492 20 0 CGADHM C[C@@H]1c2cc(F)cc(F)c2CCN1Cc1ncccc1[O-] ZINC000570604398 322277505 /nfs/dbraw/zinc/27/75/05/322277505.db2.gz HOROUPLQBUAOCY-SNVBAGLBSA-N -1 3 290.313 3.185 20 0 CGADHM CCN(Cc1cc(C(=O)[O-])ccc1Cl)C(C)C ZINC000570976428 322286964 /nfs/dbraw/zinc/28/69/64/322286964.db2.gz WJOOSPUPGJJMNC-UHFFFAOYSA-N -1 3 255.745 3.269 20 0 CGADHM Cc1oc(CN([C@H](C)C2CC2)C2CC2)cc1C(=O)[O-] ZINC000571097431 322290090 /nfs/dbraw/zinc/29/00/90/322290090.db2.gz VKOPQTGXJLLCSB-SECBINFHSA-N -1 3 263.337 3.049 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2ncc(C(C)(C)C)s2)n1 ZINC000571188466 322292626 /nfs/dbraw/zinc/29/26/26/322292626.db2.gz JNLXNJMUUDNKNM-AATRIKPKSA-N -1 3 275.377 3.415 20 0 CGADHM CO[C@@]1(C)C[C@H](N(C)Cc2ccsc2C(=O)[O-])C1(C)C ZINC000571410654 322298098 /nfs/dbraw/zinc/29/80/98/322298098.db2.gz VGMAVZQZZUGSDK-NHYWBVRUSA-N -1 3 297.420 3.082 20 0 CGADHM C[C@H]1CCCC[C@@H]1CNC(=O)c1c[n-]nc1-c1ccccn1 ZINC000571724896 322306217 /nfs/dbraw/zinc/30/62/17/322306217.db2.gz FZGVUFDBQOXDOY-QWHCGFSZSA-N -1 3 298.390 3.028 20 0 CGADHM CCCO[C@H]1CCCN(Cc2ccc(C(=O)[O-])s2)CC1 ZINC000571810480 322308200 /nfs/dbraw/zinc/30/82/00/322308200.db2.gz DAFBGGFYKFJAMO-LBPRGKRZSA-N -1 3 297.420 3.227 20 0 CGADHM C[C@H]1CC(NC(=O)c2c[n-]nc2-c2ccccn2)C[C@H](C)C1 ZINC000572329083 322331922 /nfs/dbraw/zinc/33/19/22/322331922.db2.gz XTFQCDCHGJJFHD-VXGBXAGGSA-N -1 3 298.390 3.026 20 0 CGADHM C[C@H](NCc1csc(C2CCCCC2)n1)[C@H](C)C(=O)[O-] ZINC000572967983 322363657 /nfs/dbraw/zinc/36/36/57/322363657.db2.gz WRFWVEJFGJRBLA-QWRGUYRKSA-N -1 3 296.436 3.390 20 0 CGADHM CC(C)(C)c1ccc(NC(=O)c2cnn3c2CCC3)c([O-])c1 ZINC000573437013 322387780 /nfs/dbraw/zinc/38/77/80/322387780.db2.gz WEOBHFZRUUROCI-UHFFFAOYSA-N -1 3 299.374 3.085 20 0 CGADHM CC[C@@H](NCc1cc(C(F)(F)F)ccc1Cl)C(=O)[O-] ZINC000574916143 322463192 /nfs/dbraw/zinc/46/31/92/322463192.db2.gz BFKOTYULRIIKNB-SNVBAGLBSA-N -1 3 295.688 3.312 20 0 CGADHM Cc1cc(CNCc2ccc(C(=O)[O-])cc2)cs1 ZINC000381316824 327454758 /nfs/dbraw/zinc/45/47/58/327454758.db2.gz VISJPINIJNYCBK-UHFFFAOYSA-N -1 3 261.346 3.045 20 0 CGADHM C[C@@H](c1ccc(C(=O)[O-])o1)N(C)Cc1ccccc1 ZINC000011893390 329301568 /nfs/dbraw/zinc/30/15/68/329301568.db2.gz RMHQVLGNBNVNFH-NSHDSACASA-N -1 3 259.305 3.171 20 0 CGADHM CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)Cc1cncc([O-])c1 ZINC000583033610 329305449 /nfs/dbraw/zinc/30/54/49/329305449.db2.gz FKMFWJSFBADNNR-HUUCEWRRSA-N -1 3 290.407 3.051 20 0 CGADHM COc1ccc(Cl)cc1CN1C[C@@H](C(=O)[O-])CC[C@@H]1C ZINC000397112559 329343541 /nfs/dbraw/zinc/34/35/41/329343541.db2.gz SKIFUUHLCJKIRM-QWRGUYRKSA-N -1 3 297.782 3.034 20 0 CGADHM Cc1ccc(C(=O)Nc2ccc([C@H]3CCOC3)cc2)c([O-])c1 ZINC000576064611 335148310 /nfs/dbraw/zinc/14/83/10/335148310.db2.gz WTSMYNUICWFEQY-AWEZNQCLSA-N -1 3 297.354 3.457 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])c1ccc(F)cc1F ZINC000174875360 335168404 /nfs/dbraw/zinc/16/84/04/335168404.db2.gz CRQZQKBVWRHJFZ-UHFFFAOYSA-N -1 3 267.206 3.062 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])[C@H]1C[C@@]12CCc1ccccc12 ZINC000174898611 335169015 /nfs/dbraw/zinc/16/90/15/335169015.db2.gz YUNDOOUCCKIUMR-RDTXWAMCSA-N -1 3 297.329 3.374 20 0 CGADHM COC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000436799283 533714692 /nfs/dbraw/zinc/71/46/92/533714692.db2.gz OVFATGVNFFNCNA-UHFFFAOYSA-N -1 3 262.692 3.499 20 0 CGADHM Cc1oc(C(=O)[O-])cc1CN1CCC(C)(C2CC2)CC1 ZINC000576361986 335195018 /nfs/dbraw/zinc/19/50/18/335195018.db2.gz ZTTQVUDEQCCEHL-UHFFFAOYSA-N -1 3 277.364 3.298 20 0 CGADHM CCC1(C(=O)Nc2nnc(-c3cc4ccccc4o3)[n-]2)CC1 ZINC000576884107 335260211 /nfs/dbraw/zinc/26/02/11/335260211.db2.gz PIVWENQKXAONOF-UHFFFAOYSA-N -1 3 296.330 3.347 20 0 CGADHM CCC1(C(=O)Nc2nc(-c3cc4ccccc4o3)n[n-]2)CC1 ZINC000576884107 335260212 /nfs/dbraw/zinc/26/02/12/335260212.db2.gz PIVWENQKXAONOF-UHFFFAOYSA-N -1 3 296.330 3.347 20 0 CGADHM CCC1(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)CC1 ZINC000576884107 335260214 /nfs/dbraw/zinc/26/02/14/335260214.db2.gz PIVWENQKXAONOF-UHFFFAOYSA-N -1 3 296.330 3.347 20 0 CGADHM CCN(CCc1ccccc1)Cc1ccoc1C(=O)[O-] ZINC000576999344 335276041 /nfs/dbraw/zinc/27/60/41/335276041.db2.gz XLLSXCGXDGDILD-UHFFFAOYSA-N -1 3 273.332 3.042 20 0 CGADHM CC[C@@H]1CCN([C@@H](C)c2cc(C(=O)[O-])c(C)o2)C1 ZINC000577500087 335360174 /nfs/dbraw/zinc/36/01/74/335360174.db2.gz OCRVTTLWFGEVEE-GXSJLCMTSA-N -1 3 251.326 3.079 20 0 CGADHM Cc1oc([C@H](C)N2CC[C@@H](C)[C@@H](C)C2)cc1C(=O)[O-] ZINC000577500778 335360260 /nfs/dbraw/zinc/36/02/60/335360260.db2.gz YVQIUOQHYLYFJZ-VWYCJHECSA-N -1 3 265.353 3.325 20 0 CGADHM C[C@@H]1CCSCCN1Cc1ccc(C(=O)[O-])c(Cl)c1 ZINC000577642517 335385033 /nfs/dbraw/zinc/38/50/33/335385033.db2.gz JSMUIKPJLFAOAQ-SNVBAGLBSA-N -1 3 299.823 3.366 20 0 CGADHM COc1ccc(Cl)cc1CN(C[C@H](C)C(=O)[O-])C1CC1 ZINC000577738238 335394569 /nfs/dbraw/zinc/39/45/69/335394569.db2.gz UVKLMKWVMUDMIK-JTQLQIEISA-N -1 3 297.782 3.034 20 0 CGADHM CCc1ccccc1OCC(=O)Nc1c(C)cccc1[O-] ZINC000179546113 335499987 /nfs/dbraw/zinc/49/99/87/335499987.db2.gz WHPPGTASJVIVPX-UHFFFAOYSA-N -1 3 285.343 3.281 20 0 CGADHM Cc1cccc(-c2nc(-c3ccn4cncc4c3)no2)c1[O-] ZINC000351073249 335563530 /nfs/dbraw/zinc/56/35/30/335563530.db2.gz JDVIJHGBJVGLGN-UHFFFAOYSA-N -1 3 292.298 3.065 20 0 CGADHM CC(C)c1cnc(NC(=O)c2cccc([O-])c2)s1 ZINC000182514190 335824851 /nfs/dbraw/zinc/82/48/51/335824851.db2.gz TVEIVZCCUGJZNP-UHFFFAOYSA-N -1 3 262.334 3.224 20 0 CGADHM CCc1ccc([O-])c(C(=O)NCCC[C@@H]2CCCCO2)c1 ZINC000184325019 335923633 /nfs/dbraw/zinc/92/36/33/335923633.db2.gz HISDRSKVPJUCAC-AWEZNQCLSA-N -1 3 291.391 3.034 20 0 CGADHM CN(CCCc1ccccc1)Cc1cc(C(=O)[O-])co1 ZINC000581136877 336014266 /nfs/dbraw/zinc/01/42/66/336014266.db2.gz GUYGYCDDZALRLY-UHFFFAOYSA-N -1 3 273.332 3.042 20 0 CGADHM Cc1oc(CN2CCC[C@@H]2C(C)(C)C)cc1C(=O)[O-] ZINC000581829861 336148870 /nfs/dbraw/zinc/14/88/70/336148870.db2.gz NCDYMUGVLAMOTG-CYBMUJFWSA-N -1 3 265.353 3.297 20 0 CGADHM Cc1cccc(C(=O)NC[C@H]2CCCCC2(F)F)c1[O-] ZINC000391026709 500981655 /nfs/dbraw/zinc/98/16/55/500981655.db2.gz INUYGJTVPJNBGM-LLVKDONJSA-N -1 3 283.318 3.256 20 0 CGADHM Cc1cc(CN[C@H](C(=O)[O-])c2cccc(F)c2)ccc1F ZINC000426820529 533727830 /nfs/dbraw/zinc/72/78/30/533727830.db2.gz LMCNCLDMSUWYFQ-HNNXBMFYSA-N -1 3 291.297 3.189 20 0 CGADHM COC(=O)c1ccc(C(=O)[N-]c2ccc(Cl)cc2F)o1 ZINC000152793260 534041138 /nfs/dbraw/zinc/04/11/38/534041138.db2.gz KINZOMXTBWIMEE-UHFFFAOYSA-N -1 3 297.669 3.111 20 0 CGADHM CC(C)[C@H](C)N(C(=O)NCc1ccc([O-])c(F)c1)C1CC1 ZINC000086402558 519811381 /nfs/dbraw/zinc/81/13/81/519811381.db2.gz FJUJPINMNNTYIO-NSHDSACASA-N -1 3 294.370 3.250 20 0 CGADHM [O-]c1ccc(-c2noc(/C=C\c3ccco3)n2)cc1 ZINC000436768987 534452217 /nfs/dbraw/zinc/45/22/17/534452217.db2.gz MFSNPDPBBWVULL-FPLPWBNLSA-N -1 3 254.245 3.206 20 0 CGADHM Cc1cccc(C(=O)N[C@@H]2CC[C@H]3CCC[C@@H]3C2)c1[O-] ZINC000436562268 534618599 /nfs/dbraw/zinc/61/85/99/534618599.db2.gz AANGFIFOWKTENB-MGPQQGTHSA-N -1 3 273.376 3.399 20 0 CGADHM O=C(CSCCC(F)(F)F)Nc1ccccc1[O-] ZINC000358544350 534663146 /nfs/dbraw/zinc/66/31/46/534663146.db2.gz KLWCQHRSPQIWHW-UHFFFAOYSA-N -1 3 279.283 3.016 20 0 CGADHM CCc1onc(C)c1[N-]C(=O)c1cc(C(C)=O)cs1 ZINC000089394692 523060338 /nfs/dbraw/zinc/06/03/38/523060338.db2.gz ZKEUTVKHSQEGSR-UHFFFAOYSA-N -1 3 278.333 3.062 20 0 CGADHM O=S(=O)([N-]c1ccccc1Cl)c1ccsc1 ZINC000336032691 534871909 /nfs/dbraw/zinc/87/19/09/534871909.db2.gz SGBNEISZSFJTEX-UHFFFAOYSA-N -1 3 273.766 3.202 20 0 CGADHM CC(C)(C)c1ncc(/C=C\C(=O)[N-]OC2CCC2)s1 ZINC000493379284 534909757 /nfs/dbraw/zinc/90/97/57/534909757.db2.gz DDQQQFPQWXATPU-FPLPWBNLSA-N -1 3 280.393 3.054 20 0 CGADHM [O-]c1ccc(-c2noc([C@@H]3CCOC3)n2)c2ccccc12 ZINC000293496419 526339914 /nfs/dbraw/zinc/33/99/14/526339914.db2.gz VMQDJMJWYXYJRG-SNVBAGLBSA-N -1 3 282.299 3.099 20 0 CGADHM CC(C)(C)[C@@H]1CCC[C@@H]1NC(=O)c1cccc([O-])c1 ZINC000413989647 526661923 /nfs/dbraw/zinc/66/19/23/526661923.db2.gz MOPKLEYHOIQMJV-KGLIPLIRSA-N -1 3 261.365 3.337 20 0 CGADHM O=C(N[C@H]1CCCc2sccc21)c1ccccc1[O-] ZINC000061367870 527042122 /nfs/dbraw/zinc/04/21/22/527042122.db2.gz YMCVRBXKCMRNSS-LBPRGKRZSA-N -1 3 273.357 3.261 20 0 CGADHM CC(C)NC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436605873 527716934 /nfs/dbraw/zinc/71/69/34/527716934.db2.gz GIPUJDLKSQCCMQ-UHFFFAOYSA-N -1 3 283.371 3.316 20 0 CGADHM CCC1(CNC(=O)c2cccc([O-])c2)CCCCC1 ZINC000358183580 527741817 /nfs/dbraw/zinc/74/18/17/527741817.db2.gz HTFYOVOMTXGFPV-UHFFFAOYSA-N -1 3 261.365 3.483 20 0 CGADHM CC1(c2cc(=NC(=O)c3[nH]ccc3C3CC3)[n-]o2)CCCC1 ZINC000412289445 528059980 /nfs/dbraw/zinc/05/99/80/528059980.db2.gz NKZBHCMYJSJXOH-UHFFFAOYSA-N -1 3 299.374 3.386 20 0 CGADHM CC(C)c1ccc(C(=O)N2CC[C@@H]2C(C)C)c([O-])c1 ZINC000436689549 528065577 /nfs/dbraw/zinc/06/55/77/528065577.db2.gz OKEOVSGUKQDCSI-CQSZACIVSA-N -1 3 261.365 3.386 20 0 CGADHM CC(C)c1ccc(C(=O)NCCC(F)(F)F)c([O-])c1 ZINC000436573988 528068337 /nfs/dbraw/zinc/06/83/37/528068337.db2.gz KPPYTCCZPSEJAS-UHFFFAOYSA-N -1 3 275.270 3.198 20 0 CGADHM CC(C)c1ccc(C(=O)NCCc2ccccc2O)c([O-])c1 ZINC000436662002 528070538 /nfs/dbraw/zinc/07/05/38/528070538.db2.gz AKUDFDFRVXFEMU-UHFFFAOYSA-N -1 3 299.370 3.194 20 0 CGADHM CCC[C@H](C)[C@@H]1CCCN1C(=O)c1csc(=NCC)[n-]1 ZINC000427118737 528073925 /nfs/dbraw/zinc/07/39/25/528073925.db2.gz AVGUPJIGAQKCEJ-AAEUAGOBSA-N -1 3 295.452 3.038 20 0 CGADHM CC(C)c1ccc(C(=O)N[C@H]2CCC[C@H]2F)c([O-])c1 ZINC000436775759 528078263 /nfs/dbraw/zinc/07/82/63/528078263.db2.gz XZIAZAHSSQNMOH-OLZOCXBDSA-N -1 3 265.328 3.136 20 0 CGADHM CCC[C@H](Cc1ccccc1)NC(=O)c1c([O-])cccc1O ZINC000436650595 528160786 /nfs/dbraw/zinc/16/07/86/528160786.db2.gz XBOPGLOSWSCOGV-CQSZACIVSA-N -1 3 299.370 3.239 20 0 CGADHM CCOc1cc(-c2noc(C(C)(C)C(F)F)n2)ccc1[O-] ZINC000436882022 528189483 /nfs/dbraw/zinc/18/94/83/528189483.db2.gz ZUPFHPPXXWNRKO-UHFFFAOYSA-N -1 3 298.289 3.384 20 0 CGADHM CCN(CC)[C@H](CN=c1nc(C2CC2)[n-]s1)CC(C)C ZINC000426600467 528269083 /nfs/dbraw/zinc/26/90/83/528269083.db2.gz IEDSFIFEJXYTFY-ZDUSSCGKSA-N -1 3 296.484 3.006 20 0 CGADHM CCCCN(CCOC)C(=O)c1ccc(C(C)C)cc1[O-] ZINC000436557818 528437042 /nfs/dbraw/zinc/43/70/42/528437042.db2.gz VQPGMKSGXNASLA-UHFFFAOYSA-N -1 3 293.407 3.404 20 0 CGADHM CCCCOc1ccc(C(=O)N[C@@H](C)C2CC2)c([O-])c1 ZINC000436972637 528665694 /nfs/dbraw/zinc/66/56/94/528665694.db2.gz PPKLCHUEESPGQX-NSHDSACASA-N -1 3 277.364 3.099 20 0 CGADHM CCCC[C@@H](CC)CNC(=O)Cc1ccc([O-])c(F)c1 ZINC000448652253 528776689 /nfs/dbraw/zinc/77/66/89/528776689.db2.gz VBUATTVOCWVJGX-GFCCVEGCSA-N -1 3 281.371 3.406 20 0 CGADHM CC(C)[C@H](C(=O)[O-])[C@H](C)NCc1ccc(Cl)cc1F ZINC000424623759 528930537 /nfs/dbraw/zinc/93/05/37/528930537.db2.gz QAGOJFSQHHEERY-ZANVPECISA-N -1 3 287.762 3.314 20 0 CGADHM CCCCc1cnc([N-]C(=O)c2cc(C(C)C)no2)nc1 ZINC000411064033 529032360 /nfs/dbraw/zinc/03/23/60/529032360.db2.gz BCFJFKFMEHIZKU-UHFFFAOYSA-N -1 3 288.351 3.183 20 0 CGADHM CCCCn1c(=O)[n-]nc1SCCOCC1CCCC1 ZINC000412985854 529068658 /nfs/dbraw/zinc/06/86/58/529068658.db2.gz UTTLJKUYJPHPAM-UHFFFAOYSA-N -1 3 299.440 3.083 20 0 CGADHM CC[C@H](C)[C@@H](C)N(C(=O)Cc1ccc([O-])c(F)c1)C1CC1 ZINC000448908332 529201729 /nfs/dbraw/zinc/20/17/29/529201729.db2.gz GADWUBNYFVQCPV-NWDGAFQWSA-N -1 3 293.382 3.499 20 0 CGADHM CC[C@H](C)c1cc(C(=O)[N-]c2ncc(C)s2)on1 ZINC000129739726 536020942 /nfs/dbraw/zinc/02/09/42/536020942.db2.gz AQRWIEXXKZGNKJ-ZETCQYMHSA-N -1 3 265.338 3.205 20 0 CGADHM CCc1cc(C(=O)N[C@@H]2C[C@@H]2c2ccccc2)ccc1[O-] ZINC000485928632 536127933 /nfs/dbraw/zinc/12/79/33/536127933.db2.gz DCFZXZUHASKLQU-HZPDHXFCSA-N -1 3 281.355 3.241 20 0 CGADHM COc1ccc([O-])c(C(=O)N2CCC[C@@H]2c2ccccc2)c1 ZINC000123720398 536816342 /nfs/dbraw/zinc/81/63/42/536816342.db2.gz RRVFMBHLQDGEMG-MRXNPFEDSA-N -1 3 297.354 3.378 20 0 CGADHM O=C([O-])c1coc(CN2CC[C@H](c3ccccc3F)C2)c1 ZINC000740269998 571742980 /nfs/dbraw/zinc/74/29/80/571742980.db2.gz UDRGDEAXZOOVOC-NSHDSACASA-N -1 3 289.306 3.106 20 0 CGADHM CC(=O)Nc1ccc(NC(=O)c2cc3occc3[n-]2)cc1C ZINC000750844330 572329909 /nfs/dbraw/zinc/32/99/09/572329909.db2.gz XVQPINBYACNKCN-UHFFFAOYSA-N -1 3 297.314 3.280 20 0 CGADHM Cn1c(NC(=O)c2cc3occc3[n-]2)nc2c1cccc2F ZINC000750905983 572333915 /nfs/dbraw/zinc/33/39/15/572333915.db2.gz VNADIOFCDSCNOP-UHFFFAOYSA-N -1 3 298.277 3.039 20 0 CGADHM Cc1ccc(C)c(NCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737326903 572337237 /nfs/dbraw/zinc/33/72/37/572337237.db2.gz UIXVNLBULCKVHG-UHFFFAOYSA-N -1 3 279.347 3.096 20 0 CGADHM Cc1ccc(C)c(NCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737326903 572337240 /nfs/dbraw/zinc/33/72/40/572337240.db2.gz UIXVNLBULCKVHG-UHFFFAOYSA-N -1 3 279.347 3.096 20 0 CGADHM Cc1ccc(CSc2ccccc2-c2nnn[n-]2)cc1 ZINC000737343062 572337862 /nfs/dbraw/zinc/33/78/62/572337862.db2.gz LVFFTXNXYQAFEH-UHFFFAOYSA-N -1 3 282.372 3.467 20 0 CGADHM Cc1ccc(CSc2ccccc2-c2nn[n-]n2)cc1 ZINC000737343062 572337863 /nfs/dbraw/zinc/33/78/63/572337863.db2.gz LVFFTXNXYQAFEH-UHFFFAOYSA-N -1 3 282.372 3.467 20 0 CGADHM Cc1ccc(CNc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000737343258 572338055 /nfs/dbraw/zinc/33/80/55/572338055.db2.gz SXTVISPBLTVCRM-UHFFFAOYSA-N -1 3 299.765 3.441 20 0 CGADHM Cc1ccc(CNc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000737343258 572338058 /nfs/dbraw/zinc/33/80/58/572338058.db2.gz SXTVISPBLTVCRM-UHFFFAOYSA-N -1 3 299.765 3.441 20 0 CGADHM Cc1ccc(Oc2ccc(-c3nnn[n-]3)cn2)c(Cl)c1 ZINC000737366866 572338732 /nfs/dbraw/zinc/33/87/32/572338732.db2.gz XMSREVYLCUUZFI-UHFFFAOYSA-N -1 3 287.710 3.016 20 0 CGADHM Cc1ccc(Oc2ccc(-c3nn[n-]n3)cn2)c(Cl)c1 ZINC000737366866 572338734 /nfs/dbraw/zinc/33/87/34/572338734.db2.gz XMSREVYLCUUZFI-UHFFFAOYSA-N -1 3 287.710 3.016 20 0 CGADHM Cc1cccc(OCc2ccc(F)cc2-c2nnn[n-]2)c1C ZINC000737412393 572340387 /nfs/dbraw/zinc/34/03/87/572340387.db2.gz XRRDGNYSYVVIMT-UHFFFAOYSA-N -1 3 298.321 3.202 20 0 CGADHM Cc1cccc(OCc2ccc(F)cc2-c2nn[n-]n2)c1C ZINC000737412393 572340390 /nfs/dbraw/zinc/34/03/90/572340390.db2.gz XRRDGNYSYVVIMT-UHFFFAOYSA-N -1 3 298.321 3.202 20 0 CGADHM Cc1ccccc1[C@@H](C)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737424658 572342209 /nfs/dbraw/zinc/34/22/09/572342209.db2.gz WKJKJRUBFCMZSJ-CYBMUJFWSA-N -1 3 293.374 3.373 20 0 CGADHM Cc1ccccc1[C@@H](C)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737424658 572342213 /nfs/dbraw/zinc/34/22/13/572342213.db2.gz WKJKJRUBFCMZSJ-CYBMUJFWSA-N -1 3 293.374 3.373 20 0 CGADHM Clc1cc(NCc2ccccc2)ccc1-c1nnn[n-]1 ZINC000737563049 572348938 /nfs/dbraw/zinc/34/89/38/572348938.db2.gz DGBJIKBYUREVOL-UHFFFAOYSA-N -1 3 285.738 3.132 20 0 CGADHM Clc1cc(NCc2ccccc2)ccc1-c1nn[n-]n1 ZINC000737563049 572348942 /nfs/dbraw/zinc/34/89/42/572348942.db2.gz DGBJIKBYUREVOL-UHFFFAOYSA-N -1 3 285.738 3.132 20 0 CGADHM O=C(Nc1ccc([O-])cc1F)c1coc(C2CCC2)n1 ZINC000192855851 572358761 /nfs/dbraw/zinc/35/87/61/572358761.db2.gz JAPXQAXEGBNXOO-UHFFFAOYSA-N -1 3 276.267 3.039 20 0 CGADHM Fc1cc(-c2nnn[n-]2)ccc1N[C@H]1CCc2ccccc21 ZINC000737640771 572360139 /nfs/dbraw/zinc/36/01/39/572360139.db2.gz PWYPPTAERZNXGD-AWEZNQCLSA-N -1 3 295.321 3.105 20 0 CGADHM Fc1cc(-c2nn[n-]n2)ccc1N[C@H]1CCc2ccccc21 ZINC000737640771 572360143 /nfs/dbraw/zinc/36/01/43/572360143.db2.gz PWYPPTAERZNXGD-AWEZNQCLSA-N -1 3 295.321 3.105 20 0 CGADHM C[C@H](NCc1ccccc1Cl)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739030635 572409360 /nfs/dbraw/zinc/40/93/60/572409360.db2.gz ARERTDYYWARIOW-WCQYABFASA-N -1 3 296.798 3.208 20 0 CGADHM C[C@H](NCC1CCN(C(=O)[O-])CC1)c1cc(F)ccc1F ZINC000739037676 572415736 /nfs/dbraw/zinc/41/57/36/572415736.db2.gz YBHLPPHCBFVQOT-JTQLQIEISA-N -1 3 298.333 3.005 20 0 CGADHM Cc1cc(N2CC[C@H](NC(=O)[O-])[C@@H](C)C2)c2ccccc2n1 ZINC000740078818 572431293 /nfs/dbraw/zinc/43/12/93/572431293.db2.gz VUQGPHIQCMMZHK-FZMZJTMJSA-N -1 3 299.374 3.026 20 0 CGADHM Cc1ccc(-c2cc(CO[N-]C(=O)C(C)(C)C)on2)cc1 ZINC000732805798 572484135 /nfs/dbraw/zinc/48/41/35/572484135.db2.gz JLHNVIWRIXLQPK-UHFFFAOYSA-N -1 3 288.347 3.244 20 0 CGADHM CCCCC[C@H](N=c1ncnc2[nH][n-]cc1-2)c1ccccc1 ZINC000733190329 572541650 /nfs/dbraw/zinc/54/16/50/572541650.db2.gz TULLRJDPIIRANW-HNNXBMFYSA-N -1 3 295.390 3.460 20 0 CGADHM Fc1ccc(NCCC2=CCCCC2)c(-c2nnn[n-]2)c1 ZINC000737658638 572552935 /nfs/dbraw/zinc/55/29/35/572552935.db2.gz FOXDCJQANBJZTA-UHFFFAOYSA-N -1 3 287.342 3.308 20 0 CGADHM Fc1ccc(NCCC2=CCCCC2)c(-c2nn[n-]n2)c1 ZINC000737658638 572552938 /nfs/dbraw/zinc/55/29/38/572552938.db2.gz FOXDCJQANBJZTA-UHFFFAOYSA-N -1 3 287.342 3.308 20 0 CGADHM [O-]c1ccc(CNC[C@H](O)c2cccc(F)c2)cc1Cl ZINC000733325904 572556459 /nfs/dbraw/zinc/55/64/59/572556459.db2.gz XIGZFABHYLQRRU-HNNXBMFYSA-N -1 3 295.741 3.008 20 0 CGADHM Cn1c(C(=O)Nc2ncccc2[O-])ccc1-c1ccccc1 ZINC000743291955 572646827 /nfs/dbraw/zinc/64/68/27/572646827.db2.gz XOHFYPQOOALYPT-UHFFFAOYSA-N -1 3 293.326 3.045 20 0 CGADHM COCCCCCOC(=O)c1cc(-c2cccs2)[n-]n1 ZINC000735133476 572703566 /nfs/dbraw/zinc/70/35/66/572703566.db2.gz KUFMBQFBQXYQHA-UHFFFAOYSA-N -1 3 294.376 3.112 20 0 CGADHM COCCCCCOC(=O)c1cc(-c2cccs2)n[n-]1 ZINC000735133476 572703567 /nfs/dbraw/zinc/70/35/67/572703567.db2.gz KUFMBQFBQXYQHA-UHFFFAOYSA-N -1 3 294.376 3.112 20 0 CGADHM CC(C)CC(CC(C)C)Nc1ncccc1-c1nnn[n-]1 ZINC000735761961 572740524 /nfs/dbraw/zinc/74/05/24/572740524.db2.gz SHYQXUNDZUZLMB-UHFFFAOYSA-N -1 3 288.399 3.134 20 0 CGADHM CC(C)CC(CC(C)C)Nc1ncccc1-c1nn[n-]n1 ZINC000735761961 572740529 /nfs/dbraw/zinc/74/05/29/572740529.db2.gz SHYQXUNDZUZLMB-UHFFFAOYSA-N -1 3 288.399 3.134 20 0 CGADHM CC(C)C[C@@H]1CCCN1c1cccc(F)c1-c1nnn[n-]1 ZINC000735796258 572742316 /nfs/dbraw/zinc/74/23/16/572742316.db2.gz YDUVLNOVKYEBHL-NSHDSACASA-N -1 3 289.358 3.021 20 0 CGADHM CC(C)C[C@@H]1CCCN1c1cccc(F)c1-c1nn[n-]n1 ZINC000735796258 572742320 /nfs/dbraw/zinc/74/23/20/572742320.db2.gz YDUVLNOVKYEBHL-NSHDSACASA-N -1 3 289.358 3.021 20 0 CGADHM C[C@H](Nc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000736136911 572769794 /nfs/dbraw/zinc/76/97/94/572769794.db2.gz HZLVJLNWTBQUOA-JTQLQIEISA-N -1 3 283.310 3.179 20 0 CGADHM C[C@H](Nc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000736136911 572769799 /nfs/dbraw/zinc/76/97/99/572769799.db2.gz HZLVJLNWTBQUOA-JTQLQIEISA-N -1 3 283.310 3.179 20 0 CGADHM C[C@H](Sc1ccc(-c2nnn[n-]2)cn1)c1cccs1 ZINC000736190698 572771196 /nfs/dbraw/zinc/77/11/96/572771196.db2.gz GWAMIHSMNKUTFO-QMMMGPOBSA-N -1 3 289.389 3.177 20 0 CGADHM C[C@H](Sc1ccc(-c2nn[n-]n2)cn1)c1cccs1 ZINC000736190698 572771199 /nfs/dbraw/zinc/77/11/99/572771199.db2.gz GWAMIHSMNKUTFO-QMMMGPOBSA-N -1 3 289.389 3.177 20 0 CGADHM C[C@@H]1C[C@@H](C)CN(c2cc(Cl)ccc2-c2nnn[n-]2)C1 ZINC000736226122 572773402 /nfs/dbraw/zinc/77/34/02/572773402.db2.gz FVYFDNNXQXEASZ-NXEZZACHSA-N -1 3 291.786 3.002 20 0 CGADHM C[C@@H]1C[C@@H](C)CN(c2cc(Cl)ccc2-c2nn[n-]n2)C1 ZINC000736226122 572773404 /nfs/dbraw/zinc/77/34/04/572773404.db2.gz FVYFDNNXQXEASZ-NXEZZACHSA-N -1 3 291.786 3.002 20 0 CGADHM CCc1cccc(OCc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000736699987 572806200 /nfs/dbraw/zinc/80/62/00/572806200.db2.gz QUKXZHNOFDDWCR-UHFFFAOYSA-N -1 3 298.321 3.147 20 0 CGADHM CCc1cccc(OCc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000736699987 572806203 /nfs/dbraw/zinc/80/62/03/572806203.db2.gz QUKXZHNOFDDWCR-UHFFFAOYSA-N -1 3 298.321 3.147 20 0 CGADHM CN(Cc1ccccc1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736828634 572819689 /nfs/dbraw/zinc/81/96/89/572819689.db2.gz PTUPQRKASZAHMB-UHFFFAOYSA-N -1 3 299.765 3.157 20 0 CGADHM CN(Cc1ccccc1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736828634 572819693 /nfs/dbraw/zinc/81/96/93/572819693.db2.gz PTUPQRKASZAHMB-UHFFFAOYSA-N -1 3 299.765 3.157 20 0 CGADHM Cc1cc(-c2nnn[n-]2)cc(C)c1OCc1cccc(F)c1 ZINC000737221344 572866123 /nfs/dbraw/zinc/86/61/23/572866123.db2.gz JGILAXXSMUGNHK-UHFFFAOYSA-N -1 3 298.321 3.202 20 0 CGADHM Cc1cc(-c2nn[n-]n2)cc(C)c1OCc1cccc(F)c1 ZINC000737221344 572866127 /nfs/dbraw/zinc/86/61/27/572866127.db2.gz JGILAXXSMUGNHK-UHFFFAOYSA-N -1 3 298.321 3.202 20 0 CGADHM C[C@@H]1CCC[C@@H](CC(=O)[N-]OCc2ccccc2)C1 ZINC000749838289 573044415 /nfs/dbraw/zinc/04/44/15/573044415.db2.gz MYXWNNLOZYXGNB-UKRRQHHQSA-N -1 3 261.365 3.451 20 0 CGADHM c1cc(-c2nn[n-]n2)ccc1N[C@H]1C[C@@H]1C1CCCCC1 ZINC000823743005 599042656 /nfs/dbraw/zinc/04/26/56/599042656.db2.gz QANUBGFUUQJULQ-CABCVRRESA-N -1 3 283.379 3.247 20 0 CGADHM COc1ccc2c(c1)[C@@H](NCc1cccc(C(=O)[O-])c1)CC2 ZINC000820853368 598192556 /nfs/dbraw/zinc/19/25/56/598192556.db2.gz JZXFQBJDWVOPMZ-KRWDZBQOSA-N -1 3 297.354 3.171 20 0 CGADHM CC(C)[C@H](NCc1cccc(C(=O)[O-])c1)c1ccccn1 ZINC000819962426 598203903 /nfs/dbraw/zinc/20/39/03/598203903.db2.gz QCYVFCJZTBNPJZ-INIZCTEOSA-N -1 3 284.359 3.267 20 0 CGADHM Clc1ccc(-c2nnn[n-]2)c(NCc2cccs2)c1 ZINC000095235946 598629510 /nfs/dbraw/zinc/62/95/10/598629510.db2.gz HIVZDYAYIMUBHO-UHFFFAOYSA-N -1 3 291.767 3.194 20 0 CGADHM Clc1ccc(-c2nn[n-]n2)c(NCc2cccs2)c1 ZINC000095235946 598629513 /nfs/dbraw/zinc/62/95/13/598629513.db2.gz HIVZDYAYIMUBHO-UHFFFAOYSA-N -1 3 291.767 3.194 20 0 CGADHM Clc1cc(NCc2ccsc2)ccc1-c1nn[n-]n1 ZINC000095219851 598650925 /nfs/dbraw/zinc/65/09/25/598650925.db2.gz WFGACOKHZNKHQI-UHFFFAOYSA-N -1 3 291.767 3.194 20 0 CGADHM Clc1cc(NCc2ccsc2)ccc1-c1nnn[n-]1 ZINC000095219851 598650924 /nfs/dbraw/zinc/65/09/24/598650924.db2.gz WFGACOKHZNKHQI-UHFFFAOYSA-N -1 3 291.767 3.194 20 0 CGADHM Clc1ccc(NCCc2ccccc2)c(-c2nnn[n-]2)c1 ZINC000737574669 598791950 /nfs/dbraw/zinc/79/19/50/598791950.db2.gz NSUDZANRDOCVTL-UHFFFAOYSA-N -1 3 299.765 3.175 20 0 CGADHM Clc1ccc(NCCc2ccccc2)c(-c2nn[n-]n2)c1 ZINC000737574669 598791952 /nfs/dbraw/zinc/79/19/52/598791952.db2.gz NSUDZANRDOCVTL-UHFFFAOYSA-N -1 3 299.765 3.175 20 0 CGADHM Clc1ccc(NCc2ccsc2)c(-c2nnn[n-]2)c1 ZINC000737572969 598793820 /nfs/dbraw/zinc/79/38/20/598793820.db2.gz CCWSIHQXNHNMJJ-UHFFFAOYSA-N -1 3 291.767 3.194 20 0 CGADHM Clc1ccc(NCc2ccsc2)c(-c2nn[n-]n2)c1 ZINC000737572969 598793821 /nfs/dbraw/zinc/79/38/21/598793821.db2.gz CCWSIHQXNHNMJJ-UHFFFAOYSA-N -1 3 291.767 3.194 20 0 CGADHM Cc1ccc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1F ZINC000822254391 599363888 /nfs/dbraw/zinc/36/38/88/599363888.db2.gz INYMGLZRCLWOGD-LLVKDONJSA-N -1 3 297.337 3.487 20 0 CGADHM Cc1ccc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000822254391 599363890 /nfs/dbraw/zinc/36/38/90/599363890.db2.gz INYMGLZRCLWOGD-LLVKDONJSA-N -1 3 297.337 3.487 20 0 CGADHM Clc1ccc(-c2nnn[n-]2)c(NCCCC2CC2)c1 ZINC000737570695 599443172 /nfs/dbraw/zinc/44/31/72/599443172.db2.gz LAUGZJVHXHUSLG-UHFFFAOYSA-N -1 3 277.759 3.122 20 0 CGADHM Clc1ccc(-c2nn[n-]n2)c(NCCCC2CC2)c1 ZINC000737570695 599443175 /nfs/dbraw/zinc/44/31/75/599443175.db2.gz LAUGZJVHXHUSLG-UHFFFAOYSA-N -1 3 277.759 3.122 20 0 CGADHM CC1(C)CCN(c2c(Cl)cccc2-c2nnn[n-]2)CC1 ZINC000820596989 599518163 /nfs/dbraw/zinc/51/81/63/599518163.db2.gz WWIJLHFOJXFHQC-UHFFFAOYSA-N -1 3 291.786 3.147 20 0 CGADHM CC1(C)CCN(c2c(Cl)cccc2-c2nn[n-]n2)CC1 ZINC000820596989 599518164 /nfs/dbraw/zinc/51/81/64/599518164.db2.gz WWIJLHFOJXFHQC-UHFFFAOYSA-N -1 3 291.786 3.147 20 0 CGADHM CC[C@@H](NCc1ccc(C(=O)[O-])o1)c1ccccc1 ZINC000071396256 600523751 /nfs/dbraw/zinc/52/37/51/600523751.db2.gz BRUWHYCHHQVPHI-CYBMUJFWSA-N -1 3 259.305 3.219 20 0 CGADHM Cc1c(Cl)cccc1CN1CCC(CC(=O)[O-])CC1 ZINC000901419170 620882043 /nfs/dbraw/zinc/88/20/43/620882043.db2.gz MKGYJZAWNJVGNT-UHFFFAOYSA-N -1 3 281.783 3.335 20 0 CGADHM CC(C)C[C@@H](NC[C@H](NC(=O)[O-])C(C)C)c1ccccn1 ZINC000824218177 604332937 /nfs/dbraw/zinc/33/29/37/604332937.db2.gz LGABTBRHSFXOCQ-CABCVRRESA-N -1 3 293.411 3.051 20 0 CGADHM CC(C)C[C@H](NC[C@H](NC(=O)[O-])C(C)C)c1ccccn1 ZINC000824218179 604332995 /nfs/dbraw/zinc/33/29/95/604332995.db2.gz LGABTBRHSFXOCQ-GJZGRUSLSA-N -1 3 293.411 3.051 20 0 CGADHM O=C([O-])CCCN1CCCC[C@H]1c1ccc(F)cc1F ZINC000833227056 604453420 /nfs/dbraw/zinc/45/34/20/604453420.db2.gz DVOBMJHVVWWORW-AWEZNQCLSA-N -1 3 283.318 3.357 20 0 CGADHM C[C@@H]1CCc2ccccc2[C@H]1NCc1ccoc1C(=O)[O-] ZINC000833617847 605122953 /nfs/dbraw/zinc/12/29/53/605122953.db2.gz WRCNYDOKKRHIGA-ABAIWWIYSA-N -1 3 285.343 3.391 20 0 CGADHM CC(C)CCN[C@@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000211488546 605353697 /nfs/dbraw/zinc/35/36/97/605353697.db2.gz HVYJQCMVKVJURZ-GFCCVEGCSA-N -1 3 273.735 3.241 20 0 CGADHM Cc1cnc([C@H](C)N[C@@H](C)C[C@H]2CCCN2C(=O)[O-])s1 ZINC000830625760 605513173 /nfs/dbraw/zinc/51/31/73/605513173.db2.gz URGCAVYKXJZGQX-ZMLRMANQSA-N -1 3 297.424 3.023 20 0 CGADHM C[C@@H]1CCC[C@@H]1Nc1nc2ccccc2cc1-c1nnn[n-]1 ZINC000820697989 606073723 /nfs/dbraw/zinc/07/37/23/606073723.db2.gz ORRHWSJWZKRYJS-MFKMUULPSA-N -1 3 294.362 3.015 20 0 CGADHM C[C@@H]1CCC[C@@H]1Nc1nc2ccccc2cc1-c1nn[n-]n1 ZINC000820697989 606073727 /nfs/dbraw/zinc/07/37/27/606073727.db2.gz ORRHWSJWZKRYJS-MFKMUULPSA-N -1 3 294.362 3.015 20 0 CGADHM Cc1ccccc1[C@H](C)Sc1cc(-c2nnn[n-]2)ccn1 ZINC000822345417 607161128 /nfs/dbraw/zinc/16/11/28/607161128.db2.gz IPFBKNCMAYRTOI-NSHDSACASA-N -1 3 297.387 3.423 20 0 CGADHM Cc1ccccc1[C@H](C)Sc1cc(-c2nn[n-]n2)ccn1 ZINC000822345417 607161131 /nfs/dbraw/zinc/16/11/31/607161131.db2.gz IPFBKNCMAYRTOI-NSHDSACASA-N -1 3 297.387 3.423 20 0 CGADHM Clc1cc(-c2nnn[n-]2)ccc1SCC1CC1 ZINC000826350546 607844023 /nfs/dbraw/zinc/84/40/23/607844023.db2.gz AZMRUKLJPADCAE-UHFFFAOYSA-N -1 3 266.757 3.022 20 0 CGADHM Clc1cc(-c2nn[n-]n2)ccc1SCC1CC1 ZINC000826350546 607844024 /nfs/dbraw/zinc/84/40/24/607844024.db2.gz AZMRUKLJPADCAE-UHFFFAOYSA-N -1 3 266.757 3.022 20 0 CGADHM CCCCCSc1ncc(-c2nnn[n-]2)cc1Cl ZINC000825276508 608413099 /nfs/dbraw/zinc/41/30/99/608413099.db2.gz YUXLDFXFHOVASI-UHFFFAOYSA-N -1 3 283.788 3.197 20 0 CGADHM CCCCCSc1ncc(-c2nn[n-]n2)cc1Cl ZINC000825276508 608413101 /nfs/dbraw/zinc/41/31/01/608413101.db2.gz YUXLDFXFHOVASI-UHFFFAOYSA-N -1 3 283.788 3.197 20 0 CGADHM CN(CC1CC1)Cn1c(CCC2CCCC2)n[n-]c1=S ZINC000049516165 617612676 /nfs/dbraw/zinc/61/26/76/617612676.db2.gz CLJLNOVEVIIABT-UHFFFAOYSA-N -1 3 294.468 3.363 20 0 CGADHM Cc1oc(C(C)(C)C)cc1CN[C@H]1C=C[C@@H](C(=O)[O-])C1 ZINC000900042125 620751549 /nfs/dbraw/zinc/75/15/49/620751549.db2.gz QSZUNWAHFDBZDB-YPMHNXCESA-N -1 3 277.364 3.004 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2ccc(F)c([C@@H](C)O)c2)c1 ZINC000804794591 617841331 /nfs/dbraw/zinc/84/13/31/617841331.db2.gz IFJCRURFOKZNGS-SNVBAGLBSA-N -1 3 289.306 3.145 20 0 CGADHM Cc1ccc(C(=O)Nc2ccc(F)c([C@H](C)O)c2)c([O-])c1 ZINC000804802459 617846131 /nfs/dbraw/zinc/84/61/31/617846131.db2.gz GNQWAFATSQLBGK-JTQLQIEISA-N -1 3 289.306 3.145 20 0 CGADHM O=C(Cc1ccc2ccccc2c1)[N-]OCc1cccnc1 ZINC000160852880 618161317 /nfs/dbraw/zinc/16/13/17/618161317.db2.gz DBKZPHWHUJNXBO-UHFFFAOYSA-N -1 3 292.338 3.025 20 0 CGADHM O=C(/C=C\c1ccc(Cl)s1)Nc1ncccc1[O-] ZINC000255424126 618442485 /nfs/dbraw/zinc/44/24/85/618442485.db2.gz KFBGPDOGITWJEF-XQRVVYSFSA-N -1 3 280.736 3.154 20 0 CGADHM Cc1ccc2c(c1)CCN2C(=O)c1ccc(C)cc1[O-] ZINC000091102728 618476848 /nfs/dbraw/zinc/47/68/48/618476848.db2.gz QZWFEDPYUXOUAF-UHFFFAOYSA-N -1 3 267.328 3.212 20 0 CGADHM Cc1nc(NC[C@@H]2CCCO[C@@H]2c2ccccc2)cc(=O)[n-]1 ZINC000891997563 618480019 /nfs/dbraw/zinc/48/00/19/618480019.db2.gz HOLWWCKTQFAKTM-WMLDXEAASA-N -1 3 299.374 3.070 20 0 CGADHM O=C(Nc1ccc(Cl)nc1)c1cc([O-])ccc1Cl ZINC000236558098 618864276 /nfs/dbraw/zinc/86/42/76/618864276.db2.gz ZMYWXGSAKOIHJJ-UHFFFAOYSA-N -1 3 283.114 3.346 20 0 CGADHM Cc1ccc(-c2ccc(C(=O)[N-]c3nonc3C)s2)o1 ZINC000180981724 619021185 /nfs/dbraw/zinc/02/11/85/619021185.db2.gz ZQHCWKYQSSADOV-UHFFFAOYSA-N -1 3 289.316 3.260 20 0 CGADHM CCCCCC[C@H](C)CC(=O)[N-]OC[C@@H]1CCOC1 ZINC000189258488 619091160 /nfs/dbraw/zinc/09/11/60/619091160.db2.gz BNDSMQPHUNWCKX-UONOGXRCSA-N -1 3 271.401 3.067 20 0 CGADHM N#CC(=C([O-])C=Cc1ccccc1F)c1ccccn1 ZINC000048540341 619507748 /nfs/dbraw/zinc/50/77/48/619507748.db2.gz LNEFHNLIHOZHHA-LJTDUEICSA-N -1 3 266.275 3.110 20 0 CGADHM Cc1cccc(C(=O)Nc2nn(C(C)C)cc2Cl)c1[O-] ZINC000894888385 619669269 /nfs/dbraw/zinc/66/92/69/619669269.db2.gz MZECKQKDYLXGDR-UHFFFAOYSA-N -1 3 293.754 3.384 20 0 CGADHM C[C@@H](CC(=O)Nc1cc(Cl)ccc1[O-])C1CC1 ZINC000049094140 619693583 /nfs/dbraw/zinc/69/35/83/619693583.db2.gz JBMZVXMFLOKINR-QMMMGPOBSA-N -1 3 253.729 3.420 20 0 CGADHM C[C@H]1CN(Cc2ccc([O-])c(F)c2)CC2(CCCC2)O1 ZINC000895125777 619741767 /nfs/dbraw/zinc/74/17/67/619741767.db2.gz SWALLKWGGVWNJE-LBPRGKRZSA-N -1 3 279.355 3.065 20 0 CGADHM [O-]c1ccc(F)c(CN2CC[C@H](c3nccs3)C2)c1F ZINC000895583889 619854693 /nfs/dbraw/zinc/85/46/93/619854693.db2.gz ZWKZJNWADWXRSC-VIFPVBQESA-N -1 3 296.342 3.116 20 0 CGADHM CC(C)c1ccc(NC(=O)Cc2ccc([O-])c(F)c2)cn1 ZINC000928618396 620014551 /nfs/dbraw/zinc/01/45/51/620014551.db2.gz IKNIXOPVHJPJPB-UHFFFAOYSA-N -1 3 288.322 3.231 20 0 CGADHM C/C(=C\Cl)CS[C@@H](C)c1nc(C)cc(=O)[n-]1 ZINC000797813926 620230950 /nfs/dbraw/zinc/23/09/50/620230950.db2.gz OUDKHGNSQNSUJA-IWGCBNPKSA-N -1 3 258.774 3.427 20 0 CGADHM C[C@H](C(=O)[O-])N(Cc1cc(Cl)ccc1Cl)C1CC1 ZINC000263354595 620312747 /nfs/dbraw/zinc/31/27/47/620312747.db2.gz RCCIBHDMXMNJNB-MRVPVSSYSA-N -1 3 288.174 3.431 20 0 CGADHM CCc1ccc2nccc(N3CCC(C(=O)[O-])CC3)c2c1 ZINC000263536503 620325150 /nfs/dbraw/zinc/32/51/50/620325150.db2.gz ZMDHEOYDAWJQLW-UHFFFAOYSA-N -1 3 284.359 3.098 20 0 CGADHM Cc1cc(C(C#N)=C([O-])C=C(C2CC2)C2CC2)nc(C)n1 ZINC000054451935 620342358 /nfs/dbraw/zinc/34/23/58/620342358.db2.gz OSQNUXPMPWQOOZ-HNNXBMFYSA-N -1 3 281.359 3.016 20 0 CGADHM CC(C)(CC(=O)[N-]Oc1ccc(F)cc1)C1CC1 ZINC000898574967 620597429 /nfs/dbraw/zinc/59/74/29/620597429.db2.gz OPISGQAYQNKHJP-UHFFFAOYSA-N -1 3 251.301 3.062 20 0 CGADHM CC(C)n1cncc1C=Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000901506342 620906021 /nfs/dbraw/zinc/90/60/21/620906021.db2.gz JYIIAGGRRPALNC-AATRIKPKSA-N -1 3 270.336 3.007 20 0 CGADHM C[C@H](N[C@@H]1CC[C@@H]1C1CCC1)c1ncc(C(=O)[O-])s1 ZINC000901907954 621066136 /nfs/dbraw/zinc/06/61/36/621066136.db2.gz LSIWKZSCITUUKR-JMJZKYOTSA-N -1 3 280.393 3.071 20 0 CGADHM C[C@H](N[C@@H](c1ccco1)c1ccccc1)[C@H]1C[C@@H]1C(=O)[O-] ZINC000902083738 621128847 /nfs/dbraw/zinc/12/88/47/621128847.db2.gz ZYEGZQMPRKSULF-ZGMNHVEMSA-N -1 3 285.343 3.068 20 0 CGADHM O=C([O-])c1cccc(CN[C@@H](c2ccccc2)C2CC2)n1 ZINC000902133077 621149863 /nfs/dbraw/zinc/14/98/63/621149863.db2.gz WZIRPPVCGNJUFZ-INIZCTEOSA-N -1 3 282.343 3.021 20 0 CGADHM CCc1oc(CN2CCC[C@H](CCF)C2)cc1C(=O)[O-] ZINC000902263717 621216527 /nfs/dbraw/zinc/21/65/27/621216527.db2.gz DCBDJSOUUCDATQ-LLVKDONJSA-N -1 3 283.343 3.112 20 0 CGADHM CCc1oc(CNC2(Cc3ccccc3)CC2)cc1C(=O)[O-] ZINC000902270473 621235465 /nfs/dbraw/zinc/23/54/65/621235465.db2.gz KRKAFVXEZOGGLL-UHFFFAOYSA-N -1 3 299.370 3.405 20 0 CGADHM O=C([O-])c1coc(CN[C@H]2C[C@H](c3ccccc3)C2)c1 ZINC000902336735 621271347 /nfs/dbraw/zinc/27/13/47/621271347.db2.gz NTYSPXIUXDLOAQ-MQMHXKEQSA-N -1 3 271.316 3.014 20 0 CGADHM CCc1oc(CN2CC[C@H](C)C(C)(C)C2)cc1C(=O)[O-] ZINC000902435540 621318054 /nfs/dbraw/zinc/31/80/54/621318054.db2.gz ITMZDOMCBVCPON-NSHDSACASA-N -1 3 279.380 3.408 20 0 CGADHM CCSCC[C@H](C)N(C)Cc1ccc(/C=C/C(=O)[O-])o1 ZINC000902524975 621361846 /nfs/dbraw/zinc/36/18/46/621361846.db2.gz WMAIMNLIAQXZKP-GUOLPTJISA-N -1 3 297.420 3.341 20 0 CGADHM C[C@@H](COCC1CCCCC1)NCc1ccc(C(=O)[O-])o1 ZINC000902572299 621376797 /nfs/dbraw/zinc/37/67/97/621376797.db2.gz LSVXVRNCNUJTSN-LBPRGKRZSA-N -1 3 295.379 3.053 20 0 CGADHM Cc1cc([C@H](C)N2CCC[C@H](CF)C2)oc1C(=O)[O-] ZINC000903608571 621771209 /nfs/dbraw/zinc/77/12/09/621771209.db2.gz XAWWYEXSURKKDB-WDEREUQCSA-N -1 3 269.316 3.029 20 0 CGADHM O=C([O-])c1cncc(CN2CCC(c3ccccc3)CC2)c1 ZINC000903887494 621822454 /nfs/dbraw/zinc/82/24/54/621822454.db2.gz SVYSQIIJWLTEFN-UHFFFAOYSA-N -1 3 296.370 3.159 20 0 CGADHM CN(Cc1cccs1)[C@@H](CCc1ccccc1)C(=O)[O-] ZINC000903886134 621826536 /nfs/dbraw/zinc/82/65/36/621826536.db2.gz XTWIUWSPBQAFDF-HNNXBMFYSA-N -1 3 289.400 3.266 20 0 CGADHM CCC(C)(C)C(=O)C(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000907434145 622297630 /nfs/dbraw/zinc/29/76/30/622297630.db2.gz NGILYEDMHUXJSP-NSHDSACASA-N -1 3 289.375 3.238 20 0 CGADHM CCOc1ccc(OC(=O)c2cc3occc3[n-]2)cc1 ZINC000151257575 622757113 /nfs/dbraw/zinc/75/71/13/622757113.db2.gz LTXGUAUXXLKXOY-UHFFFAOYSA-N -1 3 271.272 3.379 20 0 CGADHM C/C=C\C[C@@H]1CCCN(C(=O)c2c([O-])cccc2OC)C1 ZINC000913354117 622761169 /nfs/dbraw/zinc/76/11/69/622761169.db2.gz ZMOVIJSKXOTCNJ-DHCBQETCSA-N -1 3 289.375 3.219 20 0 CGADHM O=C1Nc2ccc(F)cc2C1=N[N-]c1ncccc1Cl ZINC000054884528 622800493 /nfs/dbraw/zinc/80/04/93/622800493.db2.gz POCZKMOLTQVMGS-UHFFFAOYSA-N -1 3 290.685 3.292 20 0 CGADHM C[C@@H]1CCC[C@H](CN2Cc3ccccc3[C@@H](C(=O)[O-])C2)C1 ZINC000227535334 623021197 /nfs/dbraw/zinc/02/11/97/623021197.db2.gz NYNHRZRFUKYLLN-KEYYUXOJSA-N -1 3 287.403 3.497 20 0 CGADHM CCCc1ccc(C(=O)COC(=O)c2ccc([O-])cc2)cc1 ZINC000060383194 623037529 /nfs/dbraw/zinc/03/75/29/623037529.db2.gz FJBOTGFFWORWRD-UHFFFAOYSA-N -1 3 298.338 3.384 20 0 CGADHM O=C(OCCOc1cccc(Cl)c1)c1ccc([O-])cc1 ZINC000060383196 623038492 /nfs/dbraw/zinc/03/84/92/623038492.db2.gz LDNVUEJDBSLFNS-UHFFFAOYSA-N -1 3 292.718 3.281 20 0 CGADHM CCCOc1ccc(CCC(=O)[N-]OCC(C)C)cc1 ZINC000153633944 624007069 /nfs/dbraw/zinc/00/70/69/624007069.db2.gz 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ARIJKHCJEPFYDP-OCAPTIKFSA-N -1 3 285.752 3.217 20 0 CGADHM O=C(COC(=O)c1cc2cc(Cl)sc2[n-]1)C1CCC1 ZINC000811393864 631061474 /nfs/dbraw/zinc/06/14/74/631061474.db2.gz FTEVHYXDRAORCC-UHFFFAOYSA-N -1 3 297.763 3.409 20 0 CGADHM O=C(OC[C@@H]1C[C@H]1c1ccccc1)c1ccc([O-])cc1 ZINC000812574288 631274559 /nfs/dbraw/zinc/27/45/59/631274559.db2.gz LCHLJLYQIVRXBN-HOCLYGCPSA-N -1 3 268.312 3.353 20 0 CGADHM Cc1ccc2[nH]cc(CCC(=O)[N-]OC3CCC3)c2c1 ZINC000812790869 631310449 /nfs/dbraw/zinc/31/04/49/631310449.db2.gz KVQXJCQHUNZSFW-UHFFFAOYSA-N -1 3 272.348 3.009 20 0 CGADHM C[C@H](CC(=O)[N-]OC1CCC1)c1c[nH]c2ccccc21 ZINC000812794430 631312600 /nfs/dbraw/zinc/31/26/00/631312600.db2.gz CPJORGXBEBDPSJ-LLVKDONJSA-N -1 3 272.348 3.262 20 0 CGADHM CC(C)OCCO[N-]C(=O)C[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000812808835 631318169 /nfs/dbraw/zinc/31/81/69/631318169.db2.gz LFSKNCDMOBYLLJ-ZIAGYGMSSA-N -1 3 285.428 3.312 20 0 CGADHM Cc1ccc2c(c1)OCCN2Cc1ccc([O-])c(F)c1 ZINC000813337182 631412373 /nfs/dbraw/zinc/41/23/73/631412373.db2.gz MMJTYDXQRLAJNJ-UHFFFAOYSA-N -1 3 273.307 3.239 20 0 CGADHM COc1ccc(NCc2c(F)ccc([O-])c2F)c(OC)c1 ZINC000816521894 632002300 /nfs/dbraw/zinc/00/23/00/632002300.db2.gz BXLZVISSFBMEJP-UHFFFAOYSA-N -1 3 295.285 3.300 20 0 CGADHM CC[C@@H](C)CONC(=O)c1cc([O-])c2ccccc2c1 ZINC000816977192 632066891 /nfs/dbraw/zinc/06/68/91/632066891.db2.gz UAZABEAACWWWOR-LLVKDONJSA-N -1 3 273.332 3.253 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000816977897 632067395 /nfs/dbraw/zinc/06/73/95/632067395.db2.gz JJQIXHNGPYCEJO-UWJCENJNSA-N -1 3 265.397 3.297 20 0 CGADHM O=C(CC1CCC(C(F)(F)F)CC1)[N-]OCC1CC1 ZINC000817353588 632130420 /nfs/dbraw/zinc/13/04/20/632130420.db2.gz ASTSHXWLESWMTO-UHFFFAOYSA-N -1 3 279.302 3.203 20 0 CGADHM CC(C)=C[C@H]1[C@@H](C(=O)[N-]OCCC2CC2)C1(C)C ZINC000817372189 632133103 /nfs/dbraw/zinc/13/31/03/632133103.db2.gz GGLOIXUDXUAILD-STQMWFEESA-N -1 3 251.370 3.073 20 0 CGADHM Nc1ccc(C(=O)N2CCC[C@H]2c2cccs2)c([O-])c1 ZINC000817907811 632233619 /nfs/dbraw/zinc/23/36/19/632233619.db2.gz HWIKPEODDAHNTK-LBPRGKRZSA-N -1 3 288.372 3.013 20 0 CGADHM C[C@@H]1CCN(C(=O)c2ccc(N)cc2[O-])[C@H]2CCCC[C@H]12 ZINC000817920921 632235065 /nfs/dbraw/zinc/23/50/65/632235065.db2.gz YKLOJIDRLUUMRW-KYOSRNDESA-N -1 3 288.391 3.015 20 0 CGADHM Nc1ccc(C(=O)N2CCC[C@@H]2C2CCCCC2)c([O-])c1 ZINC000817915670 632235372 /nfs/dbraw/zinc/23/53/72/632235372.db2.gz OHLWNLJHNNAGMD-OAHLLOKOSA-N -1 3 288.391 3.159 20 0 CGADHM CCCO[N-]C(=O)CCCCC(=O)c1ccc(F)cc1 ZINC000844087711 635819807 /nfs/dbraw/zinc/81/98/07/635819807.db2.gz FEJGZNBKDGLSNO-UHFFFAOYSA-N -1 3 281.327 3.027 20 0 CGADHM O=C(CSC(F)(F)F)Nc1c([O-])cccc1Cl ZINC000820511184 632640721 /nfs/dbraw/zinc/64/07/21/632640721.db2.gz XMQZMSQARIWNNZ-UHFFFAOYSA-N -1 3 285.674 3.237 20 0 CGADHM CC1(C(=O)Nc2ccc(Cl)cc2[O-])CC(F)(F)C1 ZINC000821344587 632755402 /nfs/dbraw/zinc/75/54/02/632755402.db2.gz XBFQGMWSHOENQJ-UHFFFAOYSA-N -1 3 275.682 3.420 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)NC1CCCCCCC1 ZINC000822176746 632884036 /nfs/dbraw/zinc/88/40/36/632884036.db2.gz VGTOMQGNUOEMSX-UHFFFAOYSA-N -1 3 279.355 3.303 20 0 CGADHM O=C(CC[C@H]1CCc2ccccc21)[N-]OC1CCC1 ZINC000880078288 635909917 /nfs/dbraw/zinc/90/99/17/635909917.db2.gz CUSHEMKICXJPRE-CYBMUJFWSA-N -1 3 259.349 3.097 20 0 CGADHM O=C(CC[C@@H]1CCc2ccccc21)[N-]OC1CCC1 ZINC000880078289 635910415 /nfs/dbraw/zinc/91/04/15/635910415.db2.gz CUSHEMKICXJPRE-ZDUSSCGKSA-N -1 3 259.349 3.097 20 0 CGADHM Cc1ccc(C(=O)N(C)OCc2ccccc2)c([O-])c1C ZINC000121214967 633240948 /nfs/dbraw/zinc/24/09/48/633240948.db2.gz DJEQZBOLPRAZRV-UHFFFAOYSA-N -1 3 285.343 3.213 20 0 CGADHM CC[C@H](Nc1cnccc1-c1nnn[n-]1)C1CCCCC1 ZINC000825148073 633332492 /nfs/dbraw/zinc/33/24/92/633332492.db2.gz NSXBLPKZCKJXBH-ZDUSSCGKSA-N -1 3 286.383 3.033 20 0 CGADHM CC[C@H](Nc1cnccc1-c1nn[n-]n1)C1CCCCC1 ZINC000825148073 633332495 /nfs/dbraw/zinc/33/24/95/633332495.db2.gz NSXBLPKZCKJXBH-ZDUSSCGKSA-N -1 3 286.383 3.033 20 0 CGADHM O=C(CCc1ccc(C(F)F)cc1)[N-]OCC1CC1 ZINC000868552897 633335226 /nfs/dbraw/zinc/33/52/26/633335226.db2.gz CGLUTUGSUYASSY-UHFFFAOYSA-N -1 3 269.291 3.015 20 0 CGADHM COCC[C@@H](C)CNC(=O)c1cc2sccc2c([O-])c1 ZINC000840494785 633343554 /nfs/dbraw/zinc/34/35/54/633343554.db2.gz YVKGHKMHGZZKMM-SNVBAGLBSA-N -1 3 293.388 3.009 20 0 CGADHM Fc1ccc(SCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826376361 633408444 /nfs/dbraw/zinc/40/84/44/633408444.db2.gz ZYPPJDBZXXCFSQ-UHFFFAOYSA-N -1 3 286.335 3.298 20 0 CGADHM Fc1ccc(SCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826376361 633408451 /nfs/dbraw/zinc/40/84/51/633408451.db2.gz ZYPPJDBZXXCFSQ-UHFFFAOYSA-N -1 3 286.335 3.298 20 0 CGADHM Cl/C=C/CSc1cccc(Cl)c1-c1nnn[n-]1 ZINC000826350414 633409187 /nfs/dbraw/zinc/40/91/87/633409187.db2.gz VKROHQBYVVFIQQ-GORDUTHDSA-N -1 3 287.175 3.365 20 0 CGADHM Cl/C=C/CSc1cccc(Cl)c1-c1nn[n-]n1 ZINC000826350414 633409191 /nfs/dbraw/zinc/40/91/91/633409191.db2.gz VKROHQBYVVFIQQ-GORDUTHDSA-N -1 3 287.175 3.365 20 0 CGADHM CC[C@@H](N[C@@H](C)c1cccc([O-])c1F)C(=O)OC(C)(C)C ZINC000872045320 633967903 /nfs/dbraw/zinc/96/79/03/633967903.db2.gz ZJQICBLNKBUUJQ-CMPLNLGQSA-N -1 3 297.370 3.302 20 0 CGADHM C[C@H](N[C@@H](C)C(F)(F)F)c1cccc([O-])c1F ZINC000872071414 633993461 /nfs/dbraw/zinc/99/34/61/633993461.db2.gz OUPPZGKCFIXSGX-BQBZGAKWSA-N -1 3 251.223 3.133 20 0 CGADHM COc1ccccc1CO[N-]C(=O)[C@]1(C)CCC[C@@H]1C ZINC000831769928 633998622 /nfs/dbraw/zinc/99/86/22/633998622.db2.gz YJTXPRKKCDZIFM-BLLLJJGKSA-N -1 3 277.364 3.069 20 0 CGADHM C[C@@H](N[C@@H](C)c1ccns1)c1cccc([O-])c1F ZINC000872089640 634016084 /nfs/dbraw/zinc/01/60/84/634016084.db2.gz BGONRALEBYPYPB-BDAKNGLRSA-N -1 3 266.341 3.400 20 0 CGADHM C[C@@H]1C[C@H](NC(=O)c2cc([O-])ccc2Cl)CCS1 ZINC000834651329 634208298 /nfs/dbraw/zinc/20/82/98/634208298.db2.gz VVZBMNQNBKHCTJ-RKDXNWHRSA-N -1 3 285.796 3.060 20 0 CGADHM CCc1ccc(CNCc2ccc([O-])c(Cl)c2)o1 ZINC000873178893 634272127 /nfs/dbraw/zinc/27/21/27/634272127.db2.gz GCHWLBVXZPBDSW-UHFFFAOYSA-N -1 3 265.740 3.491 20 0 CGADHM C[C@@H]1CCCC[C@]1(C)NC(=O)c1nnc2ccccc2c1[O-] ZINC000837254658 634877311 /nfs/dbraw/zinc/87/73/11/634877311.db2.gz RJMRQDBWGMXWGU-DIFFPNOSSA-N -1 3 299.374 3.034 20 0 CGADHM CC(C)(C)CC(=O)[N-]OCc1cc2c(c(Cl)c1)OCO2 ZINC000842060787 635269732 /nfs/dbraw/zinc/26/97/32/635269732.db2.gz PILHGLLCMXSOGQ-UHFFFAOYSA-N -1 3 299.754 3.053 20 0 CGADHM CC(C)(C)CC(=O)[N-]OCCc1ccc(Cl)cc1 ZINC000842062092 635271714 /nfs/dbraw/zinc/27/17/14/635271714.db2.gz XPMHQJFGFHKXTF-UHFFFAOYSA-N -1 3 269.772 3.367 20 0 CGADHM O=C(CCCc1ccccc1)[N-]OCC1=CCCC1 ZINC000842647988 635427205 /nfs/dbraw/zinc/42/72/05/635427205.db2.gz KGCNYWDQOWDGJH-UHFFFAOYSA-N -1 3 259.349 3.167 20 0 CGADHM CCON(C(=O)c1cc2sccc2c([O-])c1)C(C)C ZINC000844074859 635811965 /nfs/dbraw/zinc/81/19/65/635811965.db2.gz SXRCMYNLERNYNC-UHFFFAOYSA-N -1 3 279.361 3.409 20 0 CGADHM CN(C(=O)c1cc2sccc2c([O-])c1)C(C)(C)C ZINC000844090708 635819768 /nfs/dbraw/zinc/81/97/68/635819768.db2.gz DAVCSCLUNKWLMB-UHFFFAOYSA-N -1 3 263.362 3.477 20 0 CGADHM CC(C)c1nsc([N-]C(=O)c2ncsc2C2CC2)n1 ZINC000881463336 636112633 /nfs/dbraw/zinc/11/26/33/636112633.db2.gz NVPHWJHBIMOFSW-UHFFFAOYSA-N -1 3 294.405 3.248 20 0 CGADHM C/C(=C/CN1CC[C@@H](C(F)(F)F)C2(CCC2)C1)C(=O)[O-] ZINC000846262665 636169084 /nfs/dbraw/zinc/16/90/84/636169084.db2.gz SRRYVVWEDVISSP-LBQOUHFTSA-N -1 3 291.313 3.072 20 0 CGADHM C/C(=C/CN1CCC(c2cccc(F)c2F)CC1)C(=O)[O-] ZINC000846261439 636169292 /nfs/dbraw/zinc/16/92/92/636169292.db2.gz RDPLGERIHQOJGX-WZUFQYTHSA-N -1 3 295.329 3.175 20 0 CGADHM CCCCCCSc1nc(=O)[n-]c(C)c1C(=O)OCC ZINC000882291379 636303655 /nfs/dbraw/zinc/30/36/55/636303655.db2.gz DIAJYXXGVQIWBD-UHFFFAOYSA-N -1 3 298.408 3.340 20 0 CGADHM CCN(C(=O)c1cc(=O)[n-]c(C2CC2)n1)c1ccc(C)cc1 ZINC000847330671 636381264 /nfs/dbraw/zinc/38/12/64/636381264.db2.gz BZXSIPZGYYXNJU-UHFFFAOYSA-N -1 3 297.358 3.035 20 0 CGADHM CC[C@@H](CCC(C)C)OC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000847744232 636441320 /nfs/dbraw/zinc/44/13/20/636441320.db2.gz ZGILEQITLQZWKS-ZDUSSCGKSA-N -1 3 294.395 3.100 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)C[C@H]1OCc2cc(Cl)ccc21 ZINC000848121058 636532633 /nfs/dbraw/zinc/53/26/33/636532633.db2.gz UIPOPHQJMSTUKJ-QMTHXVAHSA-N -1 3 297.782 3.395 20 0 CGADHM CCCCCC(=O)OCc1nnc(-c2ccccc2[O-])o1 ZINC000883938415 636883680 /nfs/dbraw/zinc/88/36/80/636883680.db2.gz HFLHAVUKCXROIX-UHFFFAOYSA-N -1 3 290.319 3.066 20 0 CGADHM CC(C)COCCOC(=O)c1cc2sccc2c([O-])c1 ZINC000800219217 636959466 /nfs/dbraw/zinc/95/94/66/636959466.db2.gz HUHDPTSFJKPBPB-UHFFFAOYSA-N -1 3 294.372 3.436 20 0 CGADHM Nc1ccc(C(=O)N[C@@H]2CCCC23CCCCC3)c([O-])c1 ZINC000852900829 637722732 /nfs/dbraw/zinc/72/27/32/637722732.db2.gz SORQJASLWXGDPV-OAHLLOKOSA-N -1 3 288.391 3.207 20 0 CGADHM CC[C@@H](NC(=O)c1cc([O-])c2ccccc2c1)C1CC1 ZINC000855857561 638266772 /nfs/dbraw/zinc/26/67/72/638266772.db2.gz KHCMAGHXQLROCO-OAHLLOKOSA-N -1 3 269.344 3.464 20 0 CGADHM O=C(c1cc2sccc2c([O-])c1)N1CC[C@H]2C[C@H]2C1 ZINC000856064051 638291596 /nfs/dbraw/zinc/29/15/96/638291596.db2.gz HEQWENDXGXKSJN-ONGXEEELSA-N -1 3 273.357 3.089 20 0 CGADHM O=C(/C=C/c1nc2ccccc2s1)[N-]OCC1CCC1 ZINC000856343479 638346358 /nfs/dbraw/zinc/34/63/58/638346358.db2.gz LPPRFRDEBKVEOI-CMDGGOBGSA-N -1 3 288.372 3.157 20 0 CGADHM O=C([N-]OCC1CCC1)C1(Cc2cccc(F)c2)CCC1 ZINC000856349630 638350086 /nfs/dbraw/zinc/35/00/86/638350086.db2.gz ASJAMYRNHLKRAZ-UHFFFAOYSA-N -1 3 291.366 3.386 20 0 CGADHM O=C(CCc1cnc2ccccc2c1)[N-]OCC1CCC1 ZINC000856351512 638351467 /nfs/dbraw/zinc/35/14/67/638351467.db2.gz LFUMZFZQCQSLNG-UHFFFAOYSA-N -1 3 284.359 3.015 20 0 CGADHM CCCC[C@](C)(F)C(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC000857153582 638463521 /nfs/dbraw/zinc/46/35/21/638463521.db2.gz HSDBHVSPDBRRHD-AWEZNQCLSA-N -1 3 294.330 3.230 20 0 CGADHM CC(C)c1ncc(C(=O)[N-]c2ccnc(F)c2F)s1 ZINC000857697538 638556308 /nfs/dbraw/zinc/55/63/08/638556308.db2.gz XSBRCASYCPLOBG-UHFFFAOYSA-N -1 3 283.303 3.192 20 0 CGADHM C[C@@H](NCc1nnc(C2CC2)s1)c1cc([O-])cc(F)c1 ZINC000926597010 638789574 /nfs/dbraw/zinc/78/95/74/638789574.db2.gz ZAJLIWIVMJUZJZ-MRVPVSSYSA-N -1 3 293.367 3.111 20 0 CGADHM Cc1noc(C(C)C)c1NC(=O)c1cc(C)ccc1[O-] ZINC000928788823 638892349 /nfs/dbraw/zinc/89/23/49/638892349.db2.gz HEBNECHBJCTIOL-UHFFFAOYSA-N -1 3 274.320 3.373 20 0 CGADHM CC[C@@H](CCc1ccccc1)[N-]C(=O)C(F)(F)F ZINC000859292624 639125263 /nfs/dbraw/zinc/12/52/63/639125263.db2.gz GEKZHZRPULEYKM-NSHDSACASA-N -1 3 259.271 3.076 20 0 CGADHM O=C(CC(C1CCC1)C1CCC1)[N-]OCc1cccnc1 ZINC000860312896 639326309 /nfs/dbraw/zinc/32/63/09/639326309.db2.gz ORSGTSTWAQUEKT-UHFFFAOYSA-N -1 3 288.391 3.236 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])c1ccnn1C1CCC1 ZINC000935017576 639731365 /nfs/dbraw/zinc/73/13/65/639731365.db2.gz PNMYKDBSOFWYJR-UHFFFAOYSA-N -1 3 291.738 3.219 20 0 CGADHM CCc1onc(C)c1[N-]C(=O)c1cnc(CC(C)C)s1 ZINC000935119580 639752359 /nfs/dbraw/zinc/75/23/59/639752359.db2.gz BYEDBAQFJLMCLN-UHFFFAOYSA-N -1 3 293.392 3.453 20 0 CGADHM O=C1N[C@H](c2ccc([O-])c(F)c2)Nc2cccc(Cl)c21 ZINC000159216151 640034889 /nfs/dbraw/zinc/03/48/89/640034889.db2.gz UBGWNJQKAYVFFJ-CYBMUJFWSA-N -1 3 292.697 3.039 20 0 CGADHM O=C(C=C1CCSCC1)Nc1cc(Cl)ccc1[O-] ZINC000089334863 640641251 /nfs/dbraw/zinc/64/12/51/640641251.db2.gz VVCTVVXSLJTMBK-UHFFFAOYSA-N -1 3 283.780 3.438 20 0 CGADHM [O-]c1cnccc1-c1nc2c(cccc2C(F)(F)F)[nH]1 ZINC001250858589 805790141 /nfs/dbraw/zinc/79/01/41/805790141.db2.gz BVJVEAPVMBZEHD-UHFFFAOYSA-N -1 3 279.221 3.349 20 0 CGADHM COc1ccc2nc(-c3cc(F)c([O-])c(F)c3)[nH]c2c1 ZINC001250920830 805799067 /nfs/dbraw/zinc/79/90/67/805799067.db2.gz BORBNIFZFSIFTG-UHFFFAOYSA-N -1 3 276.242 3.222 20 0 CGADHM [O-]c1cccc(-c2nc3c(cc(F)c(F)c3F)[nH]2)c1F ZINC001251254983 805872891 /nfs/dbraw/zinc/87/28/91/805872891.db2.gz FIARWJZVLKXRQS-UHFFFAOYSA-N -1 3 282.196 3.492 20 0 CGADHM Cc1c[nH]c(=O)c(-c2nc3c(cc(F)cc3Cl)[n-]2)c1 ZINC001251288288 805876965 /nfs/dbraw/zinc/87/69/65/805876965.db2.gz RNCLDXVSSFXTHB-UHFFFAOYSA-N -1 3 277.686 3.431 20 0 CGADHM Cc1c[nH]c(=O)c(-c2nc3cc(F)cc(Cl)c3[n-]2)c1 ZINC001251288288 805876975 /nfs/dbraw/zinc/87/69/75/805876975.db2.gz RNCLDXVSSFXTHB-UHFFFAOYSA-N -1 3 277.686 3.431 20 0 CGADHM CC1(C)C[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC001251374887 805888051 /nfs/dbraw/zinc/88/80/51/805888051.db2.gz PFVDWLFPMZHVPR-JTQLQIEISA-N -1 3 294.203 3.070 20 0 CGADHM CCC[C@H](NC(=O)c1ccc(O)cc1[O-])C(C)(C)C ZINC001158429027 805952982 /nfs/dbraw/zinc/95/29/82/805952982.db2.gz CMCDNJBVWNWCDX-ZDUSSCGKSA-N -1 3 265.353 3.042 20 0 CGADHM O=C(NC/C=C\Cl)c1cc([O-])c2ccccc2c1 ZINC001158553226 805965958 /nfs/dbraw/zinc/96/59/58/805965958.db2.gz WBTMBDDHLJAFEQ-UTCJRWHESA-N -1 3 261.708 3.028 20 0 CGADHM COc1ccc2nc(NCc3ncccc3[O-])c(C)cc2c1 ZINC001158771032 806002474 /nfs/dbraw/zinc/00/24/74/806002474.db2.gz QYAIWSGNBJSKAO-UHFFFAOYSA-N -1 3 295.342 3.265 20 0 CGADHM [O-]c1ccc(-c2nnc(-c3cccc(Cl)c3)o2)nc1 ZINC001253728889 806286023 /nfs/dbraw/zinc/28/60/23/806286023.db2.gz WCQBQXIUHHYFJP-UHFFFAOYSA-N -1 3 273.679 3.158 20 0 CGADHM CCCc1nnc(-c2cc3cc(O)ccc3cc2[O-])o1 ZINC001253951077 806322209 /nfs/dbraw/zinc/32/22/09/806322209.db2.gz ANAGPFXUPNYPQZ-UHFFFAOYSA-N -1 3 270.288 3.254 20 0 CGADHM CCc1ccc(C(=O)N[C@]2(C)CC=CCC2)c([O-])c1 ZINC001161487859 806385303 /nfs/dbraw/zinc/38/53/03/806385303.db2.gz SCLGORXZKHLVQV-MRXNPFEDSA-N -1 3 259.349 3.183 20 0 CGADHM Clc1cc(-c2nnc([C@@H]3C[C@@H]3c3ccccc3)o2)[n-]n1 ZINC001254651547 806474282 /nfs/dbraw/zinc/47/42/82/806474282.db2.gz FANMUUSMZKYUJJ-NXEZZACHSA-N -1 3 286.722 3.384 20 0 CGADHM [O-]c1cc(Cl)cc(-c2nnc(C3CCC3)o2)c1 ZINC001255252419 806584353 /nfs/dbraw/zinc/58/43/53/806584353.db2.gz OGSRDFXUECQXAI-UHFFFAOYSA-N -1 3 250.685 3.363 20 0 CGADHM O=C(NCc1cc(Cl)ccn1)c1cc([O-])ccc1Cl ZINC000335828899 799266769 /nfs/dbraw/zinc/26/67/69/799266769.db2.gz XXRKMLVWIDBGBZ-UHFFFAOYSA-N -1 3 297.141 3.024 20 0 CGADHM C[C@@H](NC(=O)c1cc([O-])c2ccccc2c1)c1ccccn1 ZINC000349250837 799303872 /nfs/dbraw/zinc/30/38/72/799303872.db2.gz HMYVYRSMRXPTAZ-GFCCVEGCSA-N -1 3 292.338 3.431 20 0 CGADHM c1ccc(C2CC(Nc3cccc(-c4nnn[n-]4)c3)C2)cc1 ZINC000378908501 799345149 /nfs/dbraw/zinc/34/51/49/799345149.db2.gz GZYPDGVHULZLSV-UHFFFAOYSA-N -1 3 291.358 3.225 20 0 CGADHM c1ccc(C2CC(Nc3cccc(-c4nn[n-]n4)c3)C2)cc1 ZINC000378908501 799345158 /nfs/dbraw/zinc/34/51/58/799345158.db2.gz GZYPDGVHULZLSV-UHFFFAOYSA-N -1 3 291.358 3.225 20 0 CGADHM CC[C@@H](C)C[C@@H](N)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000400394015 799546979 /nfs/dbraw/zinc/54/69/79/799546979.db2.gz LQPZOPRUAMOFKH-LDYMZIIASA-N -1 3 279.315 3.017 20 0 CGADHM COc1cccc([O-])c1C(=O)NCC(C)(C)C1=CCCC1 ZINC000405375906 799583813 /nfs/dbraw/zinc/58/38/13/799583813.db2.gz HLDGEFDZYHHSTG-UHFFFAOYSA-N -1 3 289.375 3.267 20 0 CGADHM CC(C)c1cccc(NC(=O)c2cc3c(cc2[O-])OCO3)c1 ZINC000436620586 799612352 /nfs/dbraw/zinc/61/23/52/799612352.db2.gz UGQXMMXNOKHNEJ-UHFFFAOYSA-N -1 3 299.326 3.497 20 0 CGADHM CCCCCNC(=O)c1cc([O-])c2ccccc2c1 ZINC000471569231 799647390 /nfs/dbraw/zinc/64/73/90/799647390.db2.gz FZALBLZCSRZCLS-UHFFFAOYSA-N -1 3 257.333 3.465 20 0 CGADHM CC/C=C\CCO[N-]C(=O)CCCc1ccccc1 ZINC000588483059 799699734 /nfs/dbraw/zinc/69/97/34/799699734.db2.gz AWGHVTPFAOZAQX-ARJAWSKDSA-N -1 3 261.365 3.413 20 0 CGADHM C[C@@]1(C(F)(F)F)CCN(Cc2ccc(C(=O)[O-])s2)C1 ZINC000708926283 799999545 /nfs/dbraw/zinc/99/95/45/799999545.db2.gz LDIXRHBJRZSNSN-LLVKDONJSA-N -1 3 293.310 3.221 20 0 CGADHM CCC(C)(C)c1noc(-c2cc(OC)ccc2[O-])n1 ZINC000710833732 800040943 /nfs/dbraw/zinc/04/09/43/800040943.db2.gz KRKWKDGTSMKJDH-UHFFFAOYSA-N -1 3 262.309 3.138 20 0 CGADHM CSCC1CCN(Cc2csc(C(=O)[O-])c2)CC1 ZINC000719269544 800234682 /nfs/dbraw/zinc/23/46/82/800234682.db2.gz QYZDJBRYLOQEJM-UHFFFAOYSA-N -1 3 285.434 3.021 20 0 CGADHM CC(C)Cc1ccc(CC(=O)[N-]OC(C)(C)C)cc1 ZINC001116411388 802345161 /nfs/dbraw/zinc/34/51/61/802345161.db2.gz JAUURUYTSFCFHT-UHFFFAOYSA-N -1 3 263.381 3.274 20 0 CGADHM CC[C@@](C)(CNCc1csc(C(C)(C)C)n1)C(=O)[O-] ZINC001116812295 802414292 /nfs/dbraw/zinc/41/42/92/802414292.db2.gz CEQCEAGSKPYMSX-AWEZNQCLSA-N -1 3 284.425 3.031 20 0 CGADHM Cc1cnccc1Nc1cc(Cl)ccc1[S-] ZINC001174537283 809067815 /nfs/dbraw/zinc/06/78/15/809067815.db2.gz AYAYOMYMWVHTEZ-UHFFFAOYSA-N -1 3 250.754 3.498 20 0 CGADHM CC(C)NC(=S)Nc1ccc(C(F)(F)F)cc1[O-] ZINC001200786688 811744127 /nfs/dbraw/zinc/74/41/27/811744127.db2.gz IZSUXUNIYNPWCW-UHFFFAOYSA-N -1 3 278.299 3.106 20 0 CGADHM Cc1nc(-c2ccc([O-])cc2C(F)(F)F)ncc1F ZINC001205073065 812847971 /nfs/dbraw/zinc/84/79/71/812847971.db2.gz FJRBRIMWKXQJNA-UHFFFAOYSA-N -1 3 272.201 3.316 20 0 CGADHM CC(C)n1cccc(-c2c([O-])cccc2Cl)c1=O ZINC001244047467 803159254 /nfs/dbraw/zinc/15/92/54/803159254.db2.gz GZJXSYFSXCWLFF-UHFFFAOYSA-N -1 3 263.724 3.455 20 0 CGADHM [O-]c1cccc(Cl)c1-c1cc(F)c2nccn2c1 ZINC001244047732 803159465 /nfs/dbraw/zinc/15/94/65/803159465.db2.gz QVXVFNPPFHBRKH-UHFFFAOYSA-N -1 3 262.671 3.499 20 0 CGADHM O=c1cnc(-c2c([O-])cccc2Cl)cn1-c1ccccc1 ZINC001244047428 803159648 /nfs/dbraw/zinc/15/96/48/803159648.db2.gz FTTXMLNDLVKADR-UHFFFAOYSA-N -1 3 298.729 3.259 20 0 CGADHM COC(=O)c1cc(-c2c([O-])cccc2Cl)cnc1C ZINC001244049174 803160783 /nfs/dbraw/zinc/16/07/83/803160783.db2.gz VDZCUHOPGXXDFV-UHFFFAOYSA-N -1 3 277.707 3.203 20 0 CGADHM [O-]c1c(F)cc(-c2cc(N3CCCC3)ccn2)cc1F ZINC001244091870 803181021 /nfs/dbraw/zinc/18/10/21/803181021.db2.gz MGQJVLIRWMULLU-UHFFFAOYSA-N -1 3 276.286 3.333 20 0 CGADHM Cc1cc(C)c(-c2cc(C(F)(F)F)[n-]c(=S)n2)cn1 ZINC001244147165 803208665 /nfs/dbraw/zinc/20/86/65/803208665.db2.gz NLAKUDXPJNVNFP-UHFFFAOYSA-N -1 3 285.294 3.463 20 0 CGADHM CCOc1cc(-c2ccccc2-c2nnn[n-]2)ccc1C ZINC001244439179 803364969 /nfs/dbraw/zinc/36/49/69/803364969.db2.gz BOBKIUJDWOXDQJ-UHFFFAOYSA-N -1 3 280.331 3.241 20 0 CGADHM CCOc1cc(-c2ccccc2-c2nn[n-]n2)ccc1C ZINC001244439179 803364971 /nfs/dbraw/zinc/36/49/71/803364971.db2.gz BOBKIUJDWOXDQJ-UHFFFAOYSA-N -1 3 280.331 3.241 20 0 CGADHM [O-]c1cc(Cl)ccc1-c1cccc2c1OCCO2 ZINC001244469428 803385454 /nfs/dbraw/zinc/38/54/54/803385454.db2.gz HRAOEAZZEZIYOP-UHFFFAOYSA-N -1 3 262.692 3.484 20 0 CGADHM CNC(=O)c1ccc(-c2ccc(Cl)cc2[O-])cc1F ZINC001244471753 803387573 /nfs/dbraw/zinc/38/75/73/803387573.db2.gz GYBMFUZILCRBFR-UHFFFAOYSA-N -1 3 279.698 3.211 20 0 CGADHM Cc1cc(-c2cc(C(N)=O)c3ccccc3n2)cc([O-])c1F ZINC001244506756 803410123 /nfs/dbraw/zinc/41/01/23/803410123.db2.gz IANAGXWSTOSENM-UHFFFAOYSA-N -1 3 296.301 3.154 20 0 CGADHM CCCOc1nccnc1-c1cc(C)c(F)c([O-])c1 ZINC001244508386 803411254 /nfs/dbraw/zinc/41/12/54/803411254.db2.gz RKODKSZQCLOZKZ-UHFFFAOYSA-N -1 3 262.284 3.086 20 0 CGADHM Cc1cc(-c2ccc(C(N)=O)c3[nH]ccc32)cc([O-])c1F ZINC001244520099 803415276 /nfs/dbraw/zinc/41/52/76/803415276.db2.gz JFWFDKOVWKLOLL-UHFFFAOYSA-N -1 3 284.290 3.087 20 0 CGADHM COc1ccc(F)nc1-c1cc(C)c(F)c([O-])c1 ZINC001244525011 803417256 /nfs/dbraw/zinc/41/72/56/803417256.db2.gz KILWGXHNPSBMQH-UHFFFAOYSA-N -1 3 251.232 3.049 20 0 CGADHM Cc1cc(-c2ccc3c(c2)C(=O)NC3(C)C)cc([O-])c1F ZINC001244525002 803417449 /nfs/dbraw/zinc/41/74/49/803417449.db2.gz KEAZAWMOAVIRHB-UHFFFAOYSA-N -1 3 285.318 3.485 20 0 CGADHM Cc1cc(-c2ccc(C3(C)OCCO3)nc2)cc([O-])c1F ZINC001244525874 803418800 /nfs/dbraw/zinc/41/88/00/803418800.db2.gz UXGDPTTUTPMFBV-UHFFFAOYSA-N -1 3 289.306 3.121 20 0 CGADHM Cc1cc(-c2cncc3nccn32)cc(Cl)c1[O-] ZINC001244538868 803426427 /nfs/dbraw/zinc/42/64/27/803426427.db2.gz YZHBABWSSGZSCD-UHFFFAOYSA-N -1 3 259.696 3.064 20 0 CGADHM COCCOc1cncc(-c2cc(C)c([O-])c(Cl)c2)c1 ZINC001244553159 803435021 /nfs/dbraw/zinc/43/50/21/803435021.db2.gz FKVIAECEBWRLME-UHFFFAOYSA-N -1 3 293.750 3.441 20 0 CGADHM CCCCOc1cccc(F)c1Nc1cnc[n-]c1=O ZINC001211792584 814942449 /nfs/dbraw/zinc/94/24/49/814942449.db2.gz LEOSDVDIXYSLJV-UHFFFAOYSA-N -1 3 277.299 3.244 20 0 CGADHM Cc1ccc(-c2cc(F)cc(N(C)C)c2)cc1-c1nnn[n-]1 ZINC001244799340 803532812 /nfs/dbraw/zinc/53/28/12/803532812.db2.gz PAFSVZMBVXDQOL-UHFFFAOYSA-N -1 3 297.337 3.047 20 0 CGADHM Cc1ccc(-c2cc(F)cc(N(C)C)c2)cc1-c1nn[n-]n1 ZINC001244799340 803532816 /nfs/dbraw/zinc/53/28/16/803532816.db2.gz PAFSVZMBVXDQOL-UHFFFAOYSA-N -1 3 297.337 3.047 20 0 CGADHM CC(C)c1cc([N-]C(=O)c2nc(Cl)ccc2F)no1 ZINC001135364842 803590235 /nfs/dbraw/zinc/59/02/35/803590235.db2.gz MGZSWOJEEPIIHJ-UHFFFAOYSA-N -1 3 283.690 3.238 20 0 CGADHM COc1cc(C)c(C)cc1-c1ccc(Cc2nnn[n-]2)cc1 ZINC001245022390 803614748 /nfs/dbraw/zinc/61/47/48/803614748.db2.gz FBNRXCQOIXSXGS-UHFFFAOYSA-N -1 3 294.358 3.083 20 0 CGADHM COc1cc(C)c(C)cc1-c1ccc(Cc2nn[n-]n2)cc1 ZINC001245022390 803614750 /nfs/dbraw/zinc/61/47/50/803614750.db2.gz FBNRXCQOIXSXGS-UHFFFAOYSA-N -1 3 294.358 3.083 20 0 CGADHM Cc1nnc2cc(-c3cc(Cl)ccc3[O-])ccn12 ZINC001245052916 803624056 /nfs/dbraw/zinc/62/40/56/803624056.db2.gz WUHFGKJYDSMYTD-UHFFFAOYSA-N -1 3 259.696 3.064 20 0 CGADHM COc1cnc(F)c(-c2ccc([O-])cc2Cl)c1 ZINC001245078848 803634564 /nfs/dbraw/zinc/63/45/64/803634564.db2.gz JJTZZPXHRDQPSU-UHFFFAOYSA-N -1 3 253.660 3.255 20 0 CGADHM NC(=O)c1cc2ccccc2c(-c2ccc([O-])cc2Cl)n1 ZINC001245080174 803635531 /nfs/dbraw/zinc/63/55/31/803635531.db2.gz UPSACXCRHFYXKU-UHFFFAOYSA-N -1 3 298.729 3.360 20 0 CGADHM COC(=O)c1c(F)cncc1-c1ccc([O-])cc1Cl ZINC001245081431 803636688 /nfs/dbraw/zinc/63/66/88/803636688.db2.gz GAOJMQHQLPYSGG-UHFFFAOYSA-N -1 3 281.670 3.033 20 0 CGADHM COc1ncc(F)cc1-c1ccc([O-])cc1Cl ZINC001245083359 803637094 /nfs/dbraw/zinc/63/70/94/803637094.db2.gz MEQFLNGLOIZBPF-UHFFFAOYSA-N -1 3 253.660 3.255 20 0 CGADHM CCc1ccc(C(=O)NC[C@H]2CC=CCC2)c([O-])c1 ZINC001136443440 803643219 /nfs/dbraw/zinc/64/32/19/803643219.db2.gz CHQRFGFQIKZHBA-ZDUSSCGKSA-N -1 3 259.349 3.041 20 0 CGADHM COCCCCCNC(=O)c1cc2sccc2c([O-])c1 ZINC001136482570 803644726 /nfs/dbraw/zinc/64/47/26/803644726.db2.gz GVWVDFYCIANGLL-UHFFFAOYSA-N -1 3 293.388 3.153 20 0 CGADHM C[C@@H]1C[C@H](C)N(C(=O)c2cc3sccc3c([O-])c2)C1 ZINC001136942311 803661487 /nfs/dbraw/zinc/66/14/87/803661487.db2.gz CVSKFTDLJUUOFW-ZJUUUORDSA-N -1 3 275.373 3.477 20 0 CGADHM [O-]c1ccc(Nc2ccccc2OC2COC2)c(F)c1F ZINC001212011210 814967119 /nfs/dbraw/zinc/96/71/19/814967119.db2.gz YAGXSBNFZPQBAL-UHFFFAOYSA-N -1 3 293.269 3.192 20 0 CGADHM Fc1ccc2[nH]c(-c3ccccc3-c3nnn[n-]3)cc2c1 ZINC001245574851 803826893 /nfs/dbraw/zinc/82/68/93/803826893.db2.gz GOLIDYAMXUPKOI-UHFFFAOYSA-N -1 3 279.278 3.154 20 0 CGADHM Fc1ccc2[nH]c(-c3ccccc3-c3nn[n-]n3)cc2c1 ZINC001245574851 803826901 /nfs/dbraw/zinc/82/69/01/803826901.db2.gz GOLIDYAMXUPKOI-UHFFFAOYSA-N -1 3 279.278 3.154 20 0 CGADHM COc1cc2[nH]cnc2cc1-c1cc([O-])c(F)c(F)c1F ZINC001245637142 803874950 /nfs/dbraw/zinc/87/49/50/803874950.db2.gz LCMNMJKIEZCEBD-UHFFFAOYSA-N -1 3 294.232 3.361 20 0 CGADHM CCOC(=O)Cc1ccccc1-c1c([O-])cccc1F ZINC001245652524 803882103 /nfs/dbraw/zinc/88/21/03/803882103.db2.gz DLSZIZAJKSXMKO-UHFFFAOYSA-N -1 3 274.291 3.304 20 0 CGADHM COC(=O)c1cc(-c2c([O-])cccc2F)ccc1C ZINC001245653751 803883881 /nfs/dbraw/zinc/88/38/81/803883881.db2.gz PEDZQFXNHYNLNY-UHFFFAOYSA-N -1 3 260.264 3.293 20 0 CGADHM O=C(c1ccc(-c2c([O-])cccc2F)cc1)N1CCCC1 ZINC001245656810 803889891 /nfs/dbraw/zinc/88/98/91/803889891.db2.gz OAJTVGGYPNOEOX-UHFFFAOYSA-N -1 3 285.318 3.434 20 0 CGADHM [O-]c1cccc(F)c1-c1cncc(-c2ncco2)c1 ZINC001245656295 803890358 /nfs/dbraw/zinc/89/03/58/803890358.db2.gz HJYVQCJTMDUCOQ-UHFFFAOYSA-N -1 3 256.236 3.248 20 0 CGADHM [O-]c1cc(F)c(-c2cccc3cncn32)cc1Cl ZINC001245672703 803902160 /nfs/dbraw/zinc/90/21/60/803902160.db2.gz ZHDZAJHTAYALHE-UHFFFAOYSA-N -1 3 262.671 3.499 20 0 CGADHM CCc1cccc(C(=O)N2CC[C@H](CC)[C@@H]2C)c1[O-] ZINC001138452251 803941802 /nfs/dbraw/zinc/94/18/02/803941802.db2.gz NJNJFJOMZITBTE-RYUDHWBXSA-N -1 3 261.365 3.215 20 0 CGADHM [O-]c1cnccc1CN1CCC[C@H]1c1cc(F)ccc1F ZINC001140277483 804407275 /nfs/dbraw/zinc/40/72/75/804407275.db2.gz BCSVPQPMSGNCOA-HNNXBMFYSA-N -1 3 290.313 3.403 20 0 CGADHM [O-]c1c(F)cc(CN2CC[C@@H](F)C(F)(F)CC2)cc1F ZINC001140988318 804564132 /nfs/dbraw/zinc/56/41/32/804564132.db2.gz WQCOFSFGNKTDIV-LLVKDONJSA-N -1 3 295.251 3.240 20 0 CGADHM C[C@H](C(=O)Nc1c([O-])cccc1Cl)c1ccco1 ZINC001141467430 804643973 /nfs/dbraw/zinc/64/39/73/804643973.db2.gz VNHRDSUXZMUKKZ-QMMMGPOBSA-N -1 3 265.696 3.381 20 0 CGADHM [O-]c1cc(Cl)c(CN2CCCC[C@H](O)C2)c(Cl)c1 ZINC001142105497 804695100 /nfs/dbraw/zinc/69/51/00/804695100.db2.gz BYXZTVOTPMYVJZ-VIFPVBQESA-N -1 3 290.190 3.046 20 0 CGADHM [O-]c1c(F)cc(F)cc1Nc1ncccc1Cl ZINC001212479780 815035196 /nfs/dbraw/zinc/03/51/96/815035196.db2.gz RIMWBXVJISZJHU-UHFFFAOYSA-N -1 3 256.639 3.462 20 0 CGADHM O=C(Cc1ccc2ccccc2c1)Nc1cncc([O-])c1 ZINC001142755301 804764352 /nfs/dbraw/zinc/76/43/52/804764352.db2.gz NKLCIPZMQAQSNP-UHFFFAOYSA-N -1 3 278.311 3.122 20 0 CGADHM Nc1cc(Cl)cc2c1cnn2-c1cc(F)cc(F)c1[O-] ZINC001212491135 815040408 /nfs/dbraw/zinc/04/04/08/815040408.db2.gz JZZVHRDJDSHNDT-UHFFFAOYSA-N -1 3 295.676 3.245 20 0 CGADHM [O-]c1cc(F)c(CN2C[C@H]3CCCC[C@@H]3C2)c(F)c1 ZINC001144541962 805001799 /nfs/dbraw/zinc/00/17/99/805001799.db2.gz NGMCOGQXCCFCFN-GHMZBOCLSA-N -1 3 267.319 3.292 20 0 CGADHM CN(CCc1ccccc1)Cc1c(F)cc([O-])cc1F ZINC001144542185 805002134 /nfs/dbraw/zinc/00/21/34/805002134.db2.gz RKYDEOGHJWMTFJ-UHFFFAOYSA-N -1 3 277.314 3.345 20 0 CGADHM COCC[C@H]1CCCCN1Cc1c(F)cc([O-])cc1F ZINC001144555015 805003080 /nfs/dbraw/zinc/00/30/80/805003080.db2.gz RBUBXWNAJQTCGI-LLVKDONJSA-N -1 3 285.334 3.061 20 0 CGADHM CN(Cc1c(F)cc([O-])cc1F)C[C@H]1CC1(C)C ZINC001144558710 805003899 /nfs/dbraw/zinc/00/38/99/805003899.db2.gz AXKQUVYNNBWPFP-SECBINFHSA-N -1 3 255.308 3.148 20 0 CGADHM C[C@@H]1[C@@H](C)CCCN1Cc1cc(F)c([O-])cc1F ZINC001144666709 805028828 /nfs/dbraw/zinc/02/88/28/805028828.db2.gz MSOZGGOTCXCRAM-VHSXEESVSA-N -1 3 255.308 3.291 20 0 CGADHM CCOc1ccc(NC(=O)c2cccc(C)c2[O-])nc1C ZINC001148706234 805205304 /nfs/dbraw/zinc/20/53/04/805205304.db2.gz SZVOTMRAKJFMAZ-UHFFFAOYSA-N -1 3 286.331 3.055 20 0 CGADHM Cc1ncc(Nc2cccc(Br)c2F)c(=O)[n-]1 ZINC001249686869 805211190 /nfs/dbraw/zinc/21/11/90/805211190.db2.gz FLYIYOWFZDXMCD-UHFFFAOYSA-N -1 3 298.115 3.136 20 0 CGADHM O=C(Nc1ccc(F)c([O-])c1)c1cnc2ccccc2c1 ZINC001149133368 805220189 /nfs/dbraw/zinc/22/01/89/805220189.db2.gz WQZHZBMFRWRXRG-UHFFFAOYSA-N -1 3 282.274 3.332 20 0 CGADHM CCCCCC(C)(C)CNC(=O)c1cccc2n[n-]nc21 ZINC001149594750 805239305 /nfs/dbraw/zinc/23/93/05/805239305.db2.gz WUVVQRKEHXHKTP-UHFFFAOYSA-N -1 3 288.395 3.294 20 0 CGADHM Cc1ccc2[nH]c(Nc3cc(=O)[n-]c(=S)[nH]3)cc2c1 ZINC001249842186 805257770 /nfs/dbraw/zinc/25/77/70/805257770.db2.gz DOICYIJNGBQSCQ-UHFFFAOYSA-N -1 3 272.333 3.004 20 0 CGADHM [O-]c1ccc(-c2nc(-c3ccc4ncccc4c3)no2)nc1 ZINC001212557950 815068473 /nfs/dbraw/zinc/06/84/73/815068473.db2.gz JTXOQBLSELAWAX-UHFFFAOYSA-N -1 3 290.282 3.052 20 0 CGADHM CC(C)[C@H]1CCCCCN1C(=O)c1ccc(O)cc1[O-] ZINC001152612481 805358399 /nfs/dbraw/zinc/35/83/99/805358399.db2.gz PFDBFPMVJUCWLG-CQSZACIVSA-N -1 3 277.364 3.139 20 0 CGADHM Cc1cn(-c2cc(Cl)c([O-])cc2F)c2ncc(N)cc12 ZINC001250023311 805373297 /nfs/dbraw/zinc/37/32/97/805373297.db2.gz IIDKUYMOBQSUGF-UHFFFAOYSA-N -1 3 291.713 3.414 20 0 CGADHM Cc1nsc([N-]c2ccc(Br)nc2C)n1 ZINC001212561493 815070786 /nfs/dbraw/zinc/07/07/86/815070786.db2.gz UDOKGOXSOHVMFI-UHFFFAOYSA-N -1 3 285.170 3.056 20 0 CGADHM O=C(Nc1ncccc1[O-])c1ccc2c(Cl)ccnc2c1 ZINC001153337597 805392616 /nfs/dbraw/zinc/39/26/16/805392616.db2.gz SEPGUTPCBJMUNJ-UHFFFAOYSA-N -1 3 299.717 3.241 20 0 CGADHM Cc1cccn2cc(C(=O)Nc3cc(F)ccc3[O-])cc12 ZINC001153467911 805398656 /nfs/dbraw/zinc/39/86/56/805398656.db2.gz LKVKMDHOPGZEFX-UHFFFAOYSA-N -1 3 284.290 3.345 20 0 CGADHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC001250108697 805422098 /nfs/dbraw/zinc/42/20/98/805422098.db2.gz WOTKRDSNIMIHNE-LBPRGKRZSA-N -1 3 264.332 3.213 20 0 CGADHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC001250108697 805422102 /nfs/dbraw/zinc/42/21/02/805422102.db2.gz WOTKRDSNIMIHNE-LBPRGKRZSA-N -1 3 264.332 3.213 20 0 CGADHM CSc1ccc(F)c(Nc2cnc(C)[n-]c2=O)c1 ZINC001250119520 805427620 /nfs/dbraw/zinc/42/76/20/805427620.db2.gz KNNXSTPESJJJSW-UHFFFAOYSA-N -1 3 265.313 3.095 20 0 CGADHM CSc1c(Cl)cccc1[N-]c1nonc1C ZINC001250158570 805451586 /nfs/dbraw/zinc/45/15/86/805451586.db2.gz BIJHRDVOIZHDDA-UHFFFAOYSA-N -1 3 255.730 3.497 20 0 CGADHM Cc1cccc([O-])c1C(=O)Nc1cccc2ccn(C)c21 ZINC001154367173 805452465 /nfs/dbraw/zinc/45/24/65/805452465.db2.gz MFONTQYBDNWYRA-UHFFFAOYSA-N -1 3 280.327 3.445 20 0 CGADHM CN(C)c1ccc(Nc2ccc(Cl)c([O-])c2)cn1 ZINC001212588212 815077210 /nfs/dbraw/zinc/07/72/10/815077210.db2.gz KBQXZSCWGRHCEY-UHFFFAOYSA-N -1 3 263.728 3.250 20 0 CGADHM [O-]c1cccc(C[C@@H]2COc3ccccc3O2)c1Cl ZINC001250175783 805463029 /nfs/dbraw/zinc/46/30/29/805463029.db2.gz MMUQJZMHEIAWTP-LLVKDONJSA-N -1 3 276.719 3.428 20 0 CGADHM COC(=O)c1cc(C)c(Nc2ccc(Cl)c([O-])c2)cn1 ZINC001212589238 815078205 /nfs/dbraw/zinc/07/82/05/815078205.db2.gz BRQVYBGJEDSFCD-UHFFFAOYSA-N -1 3 292.722 3.279 20 0 CGADHM COc1cc(OC)c(Nc2ccc(Cl)c([O-])c2)cn1 ZINC001212591373 815080012 /nfs/dbraw/zinc/08/00/12/815080012.db2.gz IXYONHUAPODBCN-UHFFFAOYSA-N -1 3 280.711 3.201 20 0 CGADHM COc1ccc(N)c(Nc2ccc(Cl)c([O-])c2)c1 ZINC001212592140 815080145 /nfs/dbraw/zinc/08/01/45/815080145.db2.gz AESJBEKTEUAIJQ-UHFFFAOYSA-N -1 3 264.712 3.380 20 0 CGADHM COC(=O)c1ccnc(C)c1Nc1ccc(Cl)c([O-])c1 ZINC001212591484 815080274 /nfs/dbraw/zinc/08/02/74/815080274.db2.gz OWVIQMJAIRJKKQ-UHFFFAOYSA-N -1 3 292.722 3.279 20 0 CGADHM CN1Cc2ccc(Nc3ccc(Cl)c([O-])c3)cc2C1=O ZINC001212592154 815080348 /nfs/dbraw/zinc/08/03/48/815080348.db2.gz ARYWSZZZCGFDDT-UHFFFAOYSA-N -1 3 288.734 3.375 20 0 CGADHM CC(C)(NC(F)(F)c1cc(Cl)nc(=S)[n-]1)C1CC1 ZINC001155069212 805533780 /nfs/dbraw/zinc/53/37/80/805533780.db2.gz WSZDLWYMHNVGAD-UHFFFAOYSA-N -1 3 293.770 3.246 20 0 CGADHM CC(C)Oc1c(F)cc(F)c(Nc2cnc[n-]c2=O)c1F ZINC001212643821 815093853 /nfs/dbraw/zinc/09/38/53/815093853.db2.gz GTALFRNQZKIFOH-UHFFFAOYSA-N -1 3 299.252 3.130 20 0 CGADHM [O-]c1cncc(-c2nc(-c3ccc4ccncc4c3)no2)c1 ZINC001212708820 815110391 /nfs/dbraw/zinc/11/03/91/815110391.db2.gz QXKUWIHXVQKSSI-UHFFFAOYSA-N -1 3 290.282 3.052 20 0 CGADHM CC[C@@H](C)C[C@H](C)Nc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001168691202 807482540 /nfs/dbraw/zinc/48/25/40/807482540.db2.gz DAXLDVSQFCPVLA-ZJUUUORDSA-N -1 3 277.347 3.242 20 0 CGADHM CC[C@@H](C)C[C@H](C)Nc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001168691202 807482546 /nfs/dbraw/zinc/48/25/46/807482546.db2.gz DAXLDVSQFCPVLA-ZJUUUORDSA-N -1 3 277.347 3.242 20 0 CGADHM CC(C)Cc1ccc([C@H](C)[N-]S(=O)(=O)C(F)F)cc1 ZINC001259964715 807695324 /nfs/dbraw/zinc/69/53/24/807695324.db2.gz FCPPDSJHKNHJNZ-JTQLQIEISA-N -1 3 291.363 3.088 20 0 CGADHM CC[C@@H](C)S(=O)(=O)[N-]c1c(F)cccc1C(F)(F)F ZINC001260724182 807700049 /nfs/dbraw/zinc/70/00/49/807700049.db2.gz UTMOCKPBFZTHTM-SSDOTTSWSA-N -1 3 299.289 3.385 20 0 CGADHM Cc1cccc(S(=O)(=O)[N-]c2cccc(F)c2F)c1C ZINC001260991557 807708297 /nfs/dbraw/zinc/70/82/97/807708297.db2.gz LKMCSYIJOXTDGW-UHFFFAOYSA-N -1 3 297.326 3.382 20 0 CGADHM O=C([O-])c1cc(CN2CCC[C@H]2CC2CCCCC2)[nH]n1 ZINC001262159581 807830776 /nfs/dbraw/zinc/83/07/76/807830776.db2.gz BEFLTXXFFJMYSI-AWEZNQCLSA-N -1 3 291.395 3.043 20 0 CGADHM CCCCCC[C@@H](CC)[NH2+]CCCCP(=O)([O-])[O-] ZINC001170588990 807861722 /nfs/dbraw/zinc/86/17/22/807861722.db2.gz WFAWDXLKZSJYTD-CYBMUJFWSA-N -1 3 279.361 3.283 20 0 CGADHM CC(C)(C)c1nnc([N-]c2cccc3[nH]cnc32)s1 ZINC001213026287 815202451 /nfs/dbraw/zinc/20/24/51/815202451.db2.gz QYSSXEDTKAYLTO-UHFFFAOYSA-N -1 3 273.365 3.456 20 0 CGADHM Cc1nc2cc(Nc3cc(=O)[n-]c(=S)[nH]3)ccc2s1 ZINC001213035394 815207877 /nfs/dbraw/zinc/20/78/77/815207877.db2.gz JMMBTDOAHOTWHB-UHFFFAOYSA-N -1 3 290.373 3.133 20 0 CGADHM CC(C)(C)OC(=O)N1CCCC(=Nc2ncccc2[O-])C1 ZINC001213051593 815212841 /nfs/dbraw/zinc/21/28/41/815212841.db2.gz DMHDCMSCEWDHDK-UHFFFAOYSA-N -1 3 291.351 3.071 20 0 CGADHM CC(=O)Nc1cccc([N-]c2nnc(C(C)(C)C)o2)c1 ZINC001173829018 808694001 /nfs/dbraw/zinc/69/40/01/808694001.db2.gz QTCFMDRVXNLFKA-UHFFFAOYSA-N -1 3 274.324 3.069 20 0 CGADHM COc1ccccc1Nc1ncc(Cl)cc1[O-] ZINC001173838720 808701714 /nfs/dbraw/zinc/70/17/14/808701714.db2.gz WUSYSUDOHVAYIL-UHFFFAOYSA-N -1 3 250.685 3.193 20 0 CGADHM COCc1cccc(Nc2cc(=O)n(-c3ccccc3)[n-]2)c1 ZINC001174093241 808860239 /nfs/dbraw/zinc/86/02/39/808860239.db2.gz JPJOPARMVLYAQS-UHFFFAOYSA-N -1 3 295.342 3.468 20 0 CGADHM COc1ccc(Nc2ncc(F)cc2[O-])cc1Cl ZINC001174152397 808893507 /nfs/dbraw/zinc/89/35/07/808893507.db2.gz SMEPPYHCKGLPIE-UHFFFAOYSA-N -1 3 268.675 3.332 20 0 CGADHM Cc1n[nH]c(C)c1Nc1nc2c(cccc2[O-])s1 ZINC001174213037 808903657 /nfs/dbraw/zinc/90/36/57/808903657.db2.gz GNWHPBBXDZQPRA-UHFFFAOYSA-N -1 3 260.322 3.085 20 0 CGADHM Cn1cc([N-]c2nc3cc(Br)ccc3o2)cn1 ZINC001174327847 808953522 /nfs/dbraw/zinc/95/35/22/808953522.db2.gz DANKGCTYGLSFJY-UHFFFAOYSA-N -1 3 293.124 3.067 20 0 CGADHM [O-]c1c(F)c(F)ccc1Nc1cccc2n[nH]cc21 ZINC001174345326 808967515 /nfs/dbraw/zinc/96/75/15/808967515.db2.gz UJQBWOWPSBDHBT-UHFFFAOYSA-N -1 3 261.231 3.290 20 0 CGADHM [O-]c1c(F)c(F)ccc1Nc1cccc2[nH]ncc21 ZINC001174345326 808967517 /nfs/dbraw/zinc/96/75/17/808967517.db2.gz UJQBWOWPSBDHBT-UHFFFAOYSA-N -1 3 261.231 3.290 20 0 CGADHM CCOc1ncccc1Nc1cc([O-])c(F)cc1F ZINC001174456540 809019838 /nfs/dbraw/zinc/01/98/38/809019838.db2.gz IQMCQLFTGUBNLJ-UHFFFAOYSA-N -1 3 266.247 3.208 20 0 CGADHM Cc1nc(Nc2ccc(C(F)F)cc2)cc(=O)[n-]1 ZINC001174711485 809139893 /nfs/dbraw/zinc/13/98/93/809139893.db2.gz ORGWFHGEZCJZKX-UHFFFAOYSA-N -1 3 251.236 3.172 20 0 CGADHM O=S(=O)([N-][C@H]1CCCC12CC2)c1ccc(Cl)s1 ZINC001213325024 815265672 /nfs/dbraw/zinc/26/56/72/815265672.db2.gz UZYSQIGRJLUDSG-QMMMGPOBSA-N -1 3 291.825 3.013 20 0 CGADHM [O-]c1cc(F)c(Nc2ccc3c(c2)OCO3)c(F)c1 ZINC001174868320 809184179 /nfs/dbraw/zinc/18/41/79/809184179.db2.gz RLBZGOZZTOPXKB-UHFFFAOYSA-N -1 3 265.215 3.143 20 0 CGADHM Cc1ccc(Nc2cc(F)c([O-])c(F)c2)cc1N ZINC001174936763 809206734 /nfs/dbraw/zinc/20/67/34/809206734.db2.gz PWMDPDMVCZYLHV-UHFFFAOYSA-N -1 3 250.248 3.305 20 0 CGADHM NC(=O)c1ccc(Nc2cc(F)c([O-])c(F)c2)cc1Cl ZINC001213384661 815274716 /nfs/dbraw/zinc/27/47/16/815274716.db2.gz ZLONUOFUGSEBGE-UHFFFAOYSA-N -1 3 298.676 3.166 20 0 CGADHM [O-]c1cc(F)c(Nc2cccc(F)c2CO)c(F)c1 ZINC001175099740 809270917 /nfs/dbraw/zinc/27/09/17/809270917.db2.gz RABWUCKPSDDCKC-UHFFFAOYSA-N -1 3 269.222 3.045 20 0 CGADHM Cc1nc(Nc2ccc(F)cc2C(F)(F)F)cc(=O)[n-]1 ZINC001175101422 809272178 /nfs/dbraw/zinc/27/21/78/809272178.db2.gz JOISHTBHYFEZNL-UHFFFAOYSA-N -1 3 287.216 3.392 20 0 CGADHM Cn1nc(C(F)(F)F)cc1Nc1c(F)ccc([O-])c1F ZINC001175261958 809327850 /nfs/dbraw/zinc/32/78/50/809327850.db2.gz USEVBPKGHLNZFC-UHFFFAOYSA-N -1 3 293.195 3.166 20 0 CGADHM [O-]c1ccc(F)c(Nc2nccnc2C2CC2)c1F ZINC001175261267 809328083 /nfs/dbraw/zinc/32/80/83/809328083.db2.gz JJYJSCRXHOHBMD-UHFFFAOYSA-N -1 3 263.247 3.081 20 0 CGADHM [O-]c1ccc(F)c(Nc2cc(-c3ccncc3)no2)c1F ZINC001175262977 809329668 /nfs/dbraw/zinc/32/96/68/809329668.db2.gz FTNIAZVOXKYWFV-UHFFFAOYSA-N -1 3 289.241 3.464 20 0 CGADHM [O-]c1ccc(F)c(Nc2ccc3c(c2)OCCO3)c1F ZINC001175264746 809329916 /nfs/dbraw/zinc/32/99/16/809329916.db2.gz GCMGGEACCKZZQI-UHFFFAOYSA-N -1 3 279.242 3.185 20 0 CGADHM Cc1cnc(Nc2c(F)ccc([O-])c2F)c(F)c1 ZINC001175262943 809329953 /nfs/dbraw/zinc/32/99/53/809329953.db2.gz DZCHZIJYKNVKQT-UHFFFAOYSA-N -1 3 254.211 3.257 20 0 CGADHM [O-]c1ccc(F)c(Nc2cc(F)ccc2CO)c1F ZINC001175269105 809333729 /nfs/dbraw/zinc/33/37/29/809333729.db2.gz BPVGVJBPHDUMOW-UHFFFAOYSA-N -1 3 269.222 3.045 20 0 CGADHM O=C1Cc2ccc(Nc3c(F)ccc([O-])c3F)cc2C1 ZINC001175270527 809334336 /nfs/dbraw/zinc/33/43/36/809334336.db2.gz DCWKNRSKFUOMIU-UHFFFAOYSA-N -1 3 275.254 3.082 20 0 CGADHM c1cc(Nc2ccc(-c3nn[n-]n3)cc2)nc(C2CCC2)c1 ZINC001175426649 809400535 /nfs/dbraw/zinc/40/05/35/809400535.db2.gz ABHQHIIXNFCLFP-UHFFFAOYSA-N -1 3 292.346 3.273 20 0 CGADHM CCOC(=O)c1c(C)csc1[N-]c1cncs1 ZINC001175496252 809430826 /nfs/dbraw/zinc/43/08/26/809430826.db2.gz YWAIAHBAZZSXFF-UHFFFAOYSA-N -1 3 268.363 3.433 20 0 CGADHM Cc1cc([N-]c2nnc(C(C)C)o2)cc2c[nH]nc21 ZINC001175515890 809436621 /nfs/dbraw/zinc/43/66/21/809436621.db2.gz HUEVTQKPDXUXBE-UHFFFAOYSA-N -1 3 257.297 3.121 20 0 CGADHM Cc1ncc(Cl)cc1-c1noc(-c2cc(Cl)n[n-]2)n1 ZINC001213500571 815291203 /nfs/dbraw/zinc/29/12/03/815291203.db2.gz JVFMRULDIZZSFX-UHFFFAOYSA-N -1 3 296.117 3.137 20 0 CGADHM CCC1(CNC(=O)c2ccc(OC)cc2[O-])CCCCC1 ZINC001296100832 809499302 /nfs/dbraw/zinc/49/93/02/809499302.db2.gz HJLHZCBIOBJORS-UHFFFAOYSA-N -1 3 291.391 3.491 20 0 CGADHM Cc1n[nH]c2ccc([N-]c3nnc(C(C)(C)C)o3)cc12 ZINC001175692775 809507456 /nfs/dbraw/zinc/50/74/56/809507456.db2.gz JIHWHLVKEGBNIW-UHFFFAOYSA-N -1 3 271.324 3.295 20 0 CGADHM COCCOc1ccc(Nc2ccc([O-])c(F)c2F)cc1 ZINC001175785133 809542541 /nfs/dbraw/zinc/54/25/41/809542541.db2.gz KUGSCQPYVWSPFF-UHFFFAOYSA-N -1 3 295.285 3.439 20 0 CGADHM C[C@@H]1CC[C@H](CC(=O)[N-]Oc2ccccc2F)C1 ZINC001303332712 809608196 /nfs/dbraw/zinc/60/81/96/809608196.db2.gz KOKJQMNEQXCFSY-MNOVXSKESA-N -1 3 251.301 3.062 20 0 CGADHM O=c1cc(Nc2ccc(Cl)cc2)nc(C2CC2)[n-]1 ZINC001176726003 809751948 /nfs/dbraw/zinc/75/19/48/809751948.db2.gz PDTHFCQDJIWWKP-UHFFFAOYSA-N -1 3 261.712 3.457 20 0 CGADHM Cc1ccc([O-])c(-c2nc(-c3ccc(F)c(F)c3)no2)n1 ZINC001213698412 815323441 /nfs/dbraw/zinc/32/34/41/815323441.db2.gz VSJHVDGAHJVZCQ-UHFFFAOYSA-N -1 3 289.241 3.091 20 0 CGADHM CCC(CC)C[N-]C(=O)C(F)(F)C(F)(F)Cl ZINC001179773846 809944455 /nfs/dbraw/zinc/94/44/55/809944455.db2.gz BZTBCZQLCCCHHQ-UHFFFAOYSA-N -1 3 263.662 3.006 20 0 CGADHM CC(=O)c1cccc([O-])c1NC(=O)C[C@@H](C)C(F)(F)F ZINC001180089864 809973433 /nfs/dbraw/zinc/97/34/33/809973433.db2.gz VSNXXINGAFLOJJ-SSDOTTSWSA-N -1 3 289.253 3.122 20 0 CGADHM CC(=O)c1cccc([O-])c1NC(=O)C(C)(C)C(F)(F)F ZINC001180449872 810002890 /nfs/dbraw/zinc/00/28/90/810002890.db2.gz DLTUYDFGRLKUTP-UHFFFAOYSA-N -1 3 289.253 3.122 20 0 CGADHM Cc1cc(C2CC2)ccc1Nc1cc(=O)[n-]c(C)n1 ZINC001213862033 815340543 /nfs/dbraw/zinc/34/05/43/815340543.db2.gz CYAXNHRIOHGAIL-UHFFFAOYSA-N -1 3 255.321 3.420 20 0 CGADHM O=C(Nc1ccc(F)c([O-])c1)c1ncccc1C1CCC1 ZINC001185278847 810251904 /nfs/dbraw/zinc/25/19/04/810251904.db2.gz VPJJJTOHLQPJJV-UHFFFAOYSA-N -1 3 286.306 3.446 20 0 CGADHM CC/C=C/[N-]S(=O)(=O)c1cc2ccccc2s1 ZINC001185475814 810267840 /nfs/dbraw/zinc/26/78/40/810267840.db2.gz AWZFUBXKLSQZQF-FPYGCLRLSA-N -1 3 267.375 3.103 20 0 CGADHM O=c1[n-]c(-c2nc(-c3cccc4occc43)no2)ccc1F ZINC001214085769 815366099 /nfs/dbraw/zinc/36/60/99/815366099.db2.gz XZSLHUQCKOMEAW-UHFFFAOYSA-N -1 3 297.245 3.390 20 0 CGADHM [O-]c1c(F)cc(F)cc1Nc1c(F)cc(CO)cc1F ZINC001214103859 815369829 /nfs/dbraw/zinc/36/98/29/815369829.db2.gz PGYGKULQQMHZJN-UHFFFAOYSA-N -1 3 287.212 3.185 20 0 CGADHM COc1ccc(C(C)(C)C)cc1[N-]S(=O)(=O)C1CCC1 ZINC001188097195 810453361 /nfs/dbraw/zinc/45/33/61/810453361.db2.gz FIBZFDUTBVTUSC-UHFFFAOYSA-N -1 3 297.420 3.287 20 0 CGADHM CCCc1nnsc1C(=O)Nc1cc([O-])cc(Cl)c1 ZINC001190165378 810610990 /nfs/dbraw/zinc/61/09/90/810610990.db2.gz AUKOGNQMSCPNPX-UHFFFAOYSA-N -1 3 297.767 3.102 20 0 CGADHM Cc1cccc(CNC(=O)Nc2ncc([O-])cc2Cl)c1 ZINC001190968429 810660022 /nfs/dbraw/zinc/66/00/22/810660022.db2.gz KQGCCTLBBNWCDK-UHFFFAOYSA-N -1 3 291.738 3.071 20 0 CGADHM O=C(Nc1ncccc1[O-])c1cncc(-c2cccs2)c1 ZINC001191813702 810746242 /nfs/dbraw/zinc/74/62/42/810746242.db2.gz RAVWCMJBQZTBOS-UHFFFAOYSA-N -1 3 297.339 3.163 20 0 CGADHM CCCCCCNC(=O)Nc1c([O-])cccc1C(C)=O ZINC001191978832 810762406 /nfs/dbraw/zinc/76/24/06/810762406.db2.gz ZVOMYSALOVGRMI-UHFFFAOYSA-N -1 3 278.352 3.297 20 0 CGADHM CC(C)(C)c1nnc([N-]c2ccc(Cl)cc2O)o1 ZINC001214399840 815404565 /nfs/dbraw/zinc/40/45/65/815404565.db2.gz BPCMVAFXTRTBRD-UHFFFAOYSA-N -1 3 267.716 3.470 20 0 CGADHM Cc1csc(NC(=O)c2c(C)cc(O)cc2[O-])c1 ZINC001193922650 810980347 /nfs/dbraw/zinc/98/03/47/810980347.db2.gz MVJINNANFJMTLF-UHFFFAOYSA-N -1 3 263.318 3.028 20 0 CGADHM O=C(Nc1ncccc1[O-])c1cncc(-c2ccsc2)c1 ZINC001193982445 810993849 /nfs/dbraw/zinc/99/38/49/810993849.db2.gz VAZFWRUSDGMRCP-UHFFFAOYSA-N -1 3 297.339 3.163 20 0 CGADHM CCc1nccnc1Nc1c(Cl)ccc([O-])c1F ZINC001214556560 815423563 /nfs/dbraw/zinc/42/35/63/815423563.db2.gz XNBFYIRNSJWNLS-UHFFFAOYSA-N -1 3 267.691 3.281 20 0 CGADHM [O-]c1ccc(Cl)c(Nc2ccc(F)cn2)c1F ZINC001214554441 815423604 /nfs/dbraw/zinc/42/36/04/815423604.db2.gz RGYBVCLIPCTLSU-UHFFFAOYSA-N -1 3 256.639 3.462 20 0 CGADHM CNC(=O)c1ccc(Nc2c(Cl)ccc([O-])c2F)cc1 ZINC001214559649 815424618 /nfs/dbraw/zinc/42/46/18/815424618.db2.gz RVHQGLHQWYTBDO-UHFFFAOYSA-N -1 3 294.713 3.288 20 0 CGADHM COc1cccc(CO)c1Nc1c(Cl)ccc([O-])c1F ZINC001214563624 815424220 /nfs/dbraw/zinc/42/42/20/815424220.db2.gz JVTVIXAOTKTZIN-UHFFFAOYSA-N -1 3 297.713 3.429 20 0 CGADHM COc1cccc(NC(=S)Nc2ccc(F)c([O-])c2)c1 ZINC001196049029 811313657 /nfs/dbraw/zinc/31/36/57/811313657.db2.gz CZZMYWRCRIIALJ-UHFFFAOYSA-N -1 3 292.335 3.349 20 0 CGADHM O=S(=O)([N-]c1ccccc1F)c1ccc2occc2c1 ZINC001198817068 811545451 /nfs/dbraw/zinc/54/54/51/811545451.db2.gz UGDSCNBVFFHIQC-UHFFFAOYSA-N -1 3 291.303 3.373 20 0 CGADHM COc1c(F)cc(Nc2cnc(C)[n-]c2=O)cc1Cl ZINC001214968867 815471440 /nfs/dbraw/zinc/47/14/40/815471440.db2.gz HONDKZZYHCUGBN-UHFFFAOYSA-N -1 3 283.690 3.035 20 0 CGADHM CCCCCCNC(=S)Nc1ccc([O-])c(F)c1 ZINC001200952585 811773781 /nfs/dbraw/zinc/77/37/81/811773781.db2.gz GZURJTITCOXJCZ-UHFFFAOYSA-N -1 3 270.373 3.398 20 0 CGADHM COc1nc(C)ccc1-c1noc(-c2ccc(C)cc2[O-])n1 ZINC001215296969 815504568 /nfs/dbraw/zinc/50/45/68/815504568.db2.gz IEZJQAGDLYPNEM-UHFFFAOYSA-N -1 3 297.314 3.130 20 0 CGADHM CCc1cccc(NC(=O)Nc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC001202874000 812191451 /nfs/dbraw/zinc/19/14/51/812191451.db2.gz IDSZTFKCMORLRR-UHFFFAOYSA-N -1 3 298.346 3.266 20 0 CGADHM Cc1cc(C)c(NC(=O)Nc2cnc(C)[n-]c2=O)c(C)c1 ZINC001202953194 812209214 /nfs/dbraw/zinc/20/92/14/812209214.db2.gz XYWSSCZJQMVBGU-UHFFFAOYSA-N -1 3 286.335 3.060 20 0 CGADHM COc1ccc2c(c1)nccc2Nc1ncc(F)cc1[O-] ZINC001203523661 812382961 /nfs/dbraw/zinc/38/29/61/812382961.db2.gz UGETXOIVUOMTJM-UHFFFAOYSA-N -1 3 285.278 3.227 20 0 CGADHM Cc1ncc(Nc2cccnc2-c2ccccc2)c(=O)[n-]1 ZINC001203649524 812415788 /nfs/dbraw/zinc/41/57/88/812415788.db2.gz QSLGXAQHAJLFNC-UHFFFAOYSA-N -1 3 278.315 3.296 20 0 CGADHM [O-]c1cc(F)c(Nc2ncnc3sccc32)cc1F ZINC001215569732 815536783 /nfs/dbraw/zinc/53/67/83/815536783.db2.gz GALSBBLTDXHZRO-UHFFFAOYSA-N -1 3 279.271 3.419 20 0 CGADHM CN(c1cc(F)c([O-])cc1F)c1nc(Cl)ccc1N ZINC001215572477 815537293 /nfs/dbraw/zinc/53/72/93/815537293.db2.gz YAODVANPXYOPQB-UHFFFAOYSA-N -1 3 285.681 3.069 20 0 CGADHM Cc1ccc(C)c(Nc2cc(F)c([O-])cc2F)n1 ZINC001215572408 815537729 /nfs/dbraw/zinc/53/77/29/815537729.db2.gz VXHGWOLWLOUGHA-UHFFFAOYSA-N -1 3 250.248 3.426 20 0 CGADHM Cc1cc(C)n2nc(Nc3cc(F)c([O-])cc3F)cc2n1 ZINC001215572232 815537811 /nfs/dbraw/zinc/53/78/11/815537811.db2.gz RQIIRNVCZCRLOU-UHFFFAOYSA-N -1 3 290.273 3.074 20 0 CGADHM CCN(c1ccccc1N)c1cc(F)c([O-])cc1F ZINC001215573068 815538805 /nfs/dbraw/zinc/53/88/05/815538805.db2.gz ACCDDFKHLGHIEH-UHFFFAOYSA-N -1 3 264.275 3.411 20 0 CGADHM CC(C)(C)c1nsc([N-]c2ccc(F)c(CO)c2F)n1 ZINC001215648816 815552527 /nfs/dbraw/zinc/55/25/27/815552527.db2.gz NJKGCIWJLWWTNH-UHFFFAOYSA-N -1 3 299.346 3.350 20 0 CGADHM Cc1ncc(F)c(-c2ccc([O-])cc2C(F)(F)F)n1 ZINC001205066535 812844335 /nfs/dbraw/zinc/84/43/35/812844335.db2.gz QHIZFBFDHHXDKO-UHFFFAOYSA-N -1 3 272.201 3.316 20 0 CGADHM CCN(C)c1ccnc(-c2ccc([O-])cc2C(F)(F)F)n1 ZINC001205066252 812844608 /nfs/dbraw/zinc/84/46/08/812844608.db2.gz HRFFFOFWGAGFNR-UHFFFAOYSA-N -1 3 297.280 3.324 20 0 CGADHM CCOc1nccnc1-c1ccc([O-])cc1C(F)(F)F ZINC001205079706 812852299 /nfs/dbraw/zinc/85/22/99/812852299.db2.gz BWKYIGVKHLSWMX-UHFFFAOYSA-N -1 3 284.237 3.267 20 0 CGADHM Cc1ccc(F)c(NC(=S)c2ccccc2N)c1[O-] ZINC001215741321 815571252 /nfs/dbraw/zinc/57/12/52/815571252.db2.gz JGEAVYXNFJAQMO-UHFFFAOYSA-N -1 3 276.336 3.210 20 0 CGADHM Cn1ccc2cc(Nc3cc([O-])c(F)cc3F)cnc21 ZINC001205736419 813063851 /nfs/dbraw/zinc/06/38/51/813063851.db2.gz YLBRFRGHAVQYDC-UHFFFAOYSA-N -1 3 275.258 3.301 20 0 CGADHM [O-]c1ccc(-c2ncnc3cc(F)ccc32)c(F)c1 ZINC001206021533 813168691 /nfs/dbraw/zinc/16/86/91/813168691.db2.gz PDXGSURHWMYEBY-UHFFFAOYSA-N -1 3 258.227 3.281 20 0 CGADHM CCOC(=O)c1ccnc(-c2ccc([O-])cc2F)c1C ZINC001206021177 813169137 /nfs/dbraw/zinc/16/91/37/813169137.db2.gz IBTIYROLNAUMSL-UHFFFAOYSA-N -1 3 275.279 3.078 20 0 CGADHM Cc1nc(-c2ccc([O-])cc2F)nc2ccccc12 ZINC001206029747 813171168 /nfs/dbraw/zinc/17/11/68/813171168.db2.gz HUGIRBSWTZOUOT-UHFFFAOYSA-N -1 3 254.264 3.450 20 0 CGADHM CSc1cc(-c2ccc([O-])cc2F)ncc1F ZINC001206030385 813172973 /nfs/dbraw/zinc/17/29/73/813172973.db2.gz VJHBPXPMSDBENY-UHFFFAOYSA-N -1 3 253.273 3.454 20 0 CGADHM [O-]c1ccc(-c2cnc3cc(F)c(F)cc3n2)c(F)c1 ZINC001206045037 813179650 /nfs/dbraw/zinc/17/96/50/813179650.db2.gz XCSQXRQHAPJPAR-UHFFFAOYSA-N -1 3 276.217 3.420 20 0 CGADHM Cc1cc2ccncc2nc1-c1ccc([O-])cc1F ZINC001206044678 813179830 /nfs/dbraw/zinc/17/98/30/813179830.db2.gz RPFFGXMYISQVEA-UHFFFAOYSA-N -1 3 254.264 3.450 20 0 CGADHM COC(=O)c1cc(C)ccc1-c1ccc([O-])cc1F ZINC001206064578 813188334 /nfs/dbraw/zinc/18/83/34/813188334.db2.gz IHVAADWLCKMBGT-UHFFFAOYSA-N -1 3 260.264 3.293 20 0 CGADHM Cc1ncc(Nc2ccc(OC(C)C)c(F)c2)c(=O)[n-]1 ZINC001209995917 814235635 /nfs/dbraw/zinc/23/56/35/814235635.db2.gz IBZNSXUQSAJNPB-UHFFFAOYSA-N -1 3 277.299 3.161 20 0 CGADHM CC(C)(C)c1nsc([N-]c2cc(F)ccc2CO)n1 ZINC001210178511 814322766 /nfs/dbraw/zinc/32/27/66/814322766.db2.gz KWNYGUCCZSGTER-UHFFFAOYSA-N -1 3 281.356 3.211 20 0 CGADHM COc1nc(Cl)cc(Nc2cccc(Cl)c2[O-])n1 ZINC001210216836 814346273 /nfs/dbraw/zinc/34/62/73/814346273.db2.gz PXNMUHCKYOGLSD-UHFFFAOYSA-N -1 3 286.118 3.241 20 0 CGADHM COc1ccc(Nc2cccc(Cl)c2[O-])c(CO)c1 ZINC001210223233 814350240 /nfs/dbraw/zinc/35/02/40/814350240.db2.gz PJYGYEJKBYGYHA-UHFFFAOYSA-N -1 3 279.723 3.290 20 0 CGADHM Cc1cc(Nc2cccc(C(=O)N(C)C)c2[O-])c(C)o1 ZINC001210283550 814379136 /nfs/dbraw/zinc/37/91/36/814379136.db2.gz DFRSUOSBQCZIOM-UHFFFAOYSA-N -1 3 274.320 3.047 20 0 CGADHM [O-]c1c(F)cc(Nc2cnn(C(F)(F)F)c2)cc1F ZINC001210362918 814423598 /nfs/dbraw/zinc/42/35/98/814423598.db2.gz OCNWSFLKBJZJQS-UHFFFAOYSA-N -1 3 279.168 3.087 20 0 CGADHM O=c1[nH]cc(Nc2cccc([O-])c2Cl)cc1F ZINC001210602473 814551581 /nfs/dbraw/zinc/55/15/81/814551581.db2.gz UWJCUANTLBLNKB-UHFFFAOYSA-N -1 3 254.648 3.029 20 0 CGADHM Cc1nc(Nc2cc3cc(F)ccc3o2)cc(=O)[n-]1 ZINC001210726743 814599694 /nfs/dbraw/zinc/59/96/94/814599694.db2.gz VFCJEJGRVMPDQH-UHFFFAOYSA-N -1 3 259.240 3.120 20 0 CGADHM COc1cc(Nc2cc([O-])c(F)cc2F)cc(C)n1 ZINC001210781626 814628025 /nfs/dbraw/zinc/62/80/25/814628025.db2.gz YSSHZHCXCYAJFB-UHFFFAOYSA-N -1 3 266.247 3.126 20 0 CGADHM COc1ccc(Nc2cccc([O-])c2Cl)nc1OC ZINC001210844898 814649322 /nfs/dbraw/zinc/64/93/22/814649322.db2.gz QXANYPGUMHXYNW-UHFFFAOYSA-N -1 3 280.711 3.201 20 0 CGADHM COC(=O)c1ncsc1Nc1cccc([O-])c1Cl ZINC001210853700 814650710 /nfs/dbraw/zinc/65/07/10/814650710.db2.gz FCOLMAYGNYXFDD-UHFFFAOYSA-N -1 3 284.724 3.032 20 0 CGADHM Cc1nn(-c2cccc([O-])c2Cl)c2cc(N)cc(F)c12 ZINC001210854849 814652009 /nfs/dbraw/zinc/65/20/09/814652009.db2.gz MHQORZMQFAMIKL-UHFFFAOYSA-N -1 3 291.713 3.414 20 0 CGADHM CNC(=O)c1ccccc1Nc1cccc([O-])c1Cl ZINC001210854442 814652074 /nfs/dbraw/zinc/65/20/74/814652074.db2.gz WWCNDMVWYNDDQT-UHFFFAOYSA-N -1 3 276.723 3.149 20 0 CGADHM COc1nccc(Nc2cccc([O-])c2Cl)c1F ZINC001210855436 814652104 /nfs/dbraw/zinc/65/21/04/814652104.db2.gz NNZZVBUTSPKRBW-UHFFFAOYSA-N -1 3 268.675 3.332 20 0 CGADHM COC(=O)c1cccc(Nc2cccc([O-])c2Cl)c1O ZINC001210855414 814652276 /nfs/dbraw/zinc/65/22/76/814652276.db2.gz ZTKXBSBYVBYWBQ-UHFFFAOYSA-N -1 3 293.706 3.281 20 0 CGADHM Nc1ccc(-c2cnn(-c3cccc([O-])c3Cl)c2)cc1 ZINC001210855289 814652469 /nfs/dbraw/zinc/65/24/69/814652469.db2.gz VNKHZZVATRHDGX-UHFFFAOYSA-N -1 3 285.734 3.481 20 0 CGADHM CONC(=O)c1ccccc1Nc1cccc([O-])c1Cl ZINC001210860012 814654866 /nfs/dbraw/zinc/65/48/66/814654866.db2.gz PSRWUWISLPCCIL-UHFFFAOYSA-N -1 3 292.722 3.080 20 0 CGADHM C[C@H]1CCc2c(sc([N-]c3nccs3)c2C(N)=O)C1 ZINC001210989326 814699802 /nfs/dbraw/zinc/69/98/02/814699802.db2.gz GECIQEQJBXPECN-ZETCQYMHSA-N -1 3 293.417 3.172 20 0 CGADHM [O-]c1c(F)cc(Nc2cnccc2Cl)cc1F ZINC001211210438 814849285 /nfs/dbraw/zinc/84/92/85/814849285.db2.gz CRNDUDYBOLRCER-UHFFFAOYSA-N -1 3 256.639 3.462 20 0 CGADHM O=C1N=NC(=O)c2c(Nc3ccc(F)c([O-])c3)cccc21 ZINC001211217798 814852930 /nfs/dbraw/zinc/85/29/30/814852930.db2.gz CTEVCWPIHVMLLW-UHFFFAOYSA-N -1 3 285.234 3.021 20 0 CGADHM COc1cc2[nH]cnc2cc1-c1cc(F)c([O-])cc1F ZINC001211350177 814883714 /nfs/dbraw/zinc/88/37/14/814883714.db2.gz NZVYYJQCIVPONS-UHFFFAOYSA-N -1 3 276.242 3.222 20 0 CGADHM [O-]c1cccc2sc(Nc3cccc(CO)c3F)nc21 ZINC001211426715 814889744 /nfs/dbraw/zinc/88/97/44/814889744.db2.gz ZXVLFJRWPIHDCG-UHFFFAOYSA-N -1 3 290.319 3.377 20 0 CGADHM CCc1cc([N-]c2nnc(-c3ccco3)o2)ccc1CO ZINC001216103379 815695386 /nfs/dbraw/zinc/69/53/86/815695386.db2.gz POXKFMDEWIAFQU-UHFFFAOYSA-N -1 3 285.303 3.128 20 0 CGADHM COc1cc(Nc2cccc(Cl)c2[O-])ccc1CO ZINC001216113708 815701222 /nfs/dbraw/zinc/70/12/22/815701222.db2.gz JNKFLZPYOBAPJP-UHFFFAOYSA-N -1 3 279.723 3.290 20 0 CGADHM COc1ccc(Nc2cc(F)c([O-])c(F)c2)cc1N ZINC001216258565 815759021 /nfs/dbraw/zinc/75/90/21/815759021.db2.gz TZOGOMADQMVMCQ-UHFFFAOYSA-N -1 3 266.247 3.005 20 0 CGADHM Cc1cc([O-])c(-c2nc(-c3ccc(F)cc3)no2)c(O)c1 ZINC001216271679 815762636 /nfs/dbraw/zinc/76/26/36/815762636.db2.gz ITQQRRNIENGYSE-UHFFFAOYSA-N -1 3 286.262 3.262 20 0 CGADHM NC(=O)c1ccc(Nc2ccc(F)c3ccoc32)cc1[O-] ZINC001216298227 815770843 /nfs/dbraw/zinc/77/08/43/815770843.db2.gz XCEDCSUPRNEERE-UHFFFAOYSA-N -1 3 286.262 3.120 20 0 CGADHM COc1cccc(-c2noc(-c3c(C)cccc3[O-])n2)c1 ZINC001216536530 815854363 /nfs/dbraw/zinc/85/43/63/815854363.db2.gz LUVHEBATGDSRPN-UHFFFAOYSA-N -1 3 282.299 3.426 20 0 CGADHM Cc1ncccc1-c1noc(-c2cc([O-])cc(Cl)c2)n1 ZINC001216702654 815894934 /nfs/dbraw/zinc/89/49/34/815894934.db2.gz ZNVCGGXHGXCMTR-UHFFFAOYSA-N -1 3 287.706 3.466 20 0 CGADHM Cc1cc(-c2noc(-c3cc([O-])cc(Cl)c3)n2)ccn1 ZINC001216701806 815895105 /nfs/dbraw/zinc/89/51/05/815895105.db2.gz BTESOGPPVBOZTN-UHFFFAOYSA-N -1 3 287.706 3.466 20 0 CGADHM CCc1cccc(-c2noc(-c3c([O-])cc(O)cc3O)n2)c1 ZINC001216728923 815895273 /nfs/dbraw/zinc/89/52/73/815895273.db2.gz STOWZOJKCMFUBW-UHFFFAOYSA-N -1 3 298.298 3.083 20 0 CGADHM Fc1ccc(-c2noc(-c3nc4ccccc4[n-]3)n2)cc1 ZINC001217137418 815910760 /nfs/dbraw/zinc/91/07/60/815910760.db2.gz YWCPTTVIELJXDS-UHFFFAOYSA-N -1 3 280.262 3.419 20 0 CGADHM Cc1cccc([O-])c1C(=O)Nc1ccc2sc(N)nc2c1 ZINC001219249489 816266513 /nfs/dbraw/zinc/26/65/13/816266513.db2.gz AIOHCJYLUJPPCA-UHFFFAOYSA-N -1 3 299.355 3.145 20 0 CGADHM Cc1ccc(OC(C)C)cc1-c1cncc(-c2nnn[n-]2)c1 ZINC001222148221 816359248 /nfs/dbraw/zinc/35/92/48/816359248.db2.gz BFSLAZVAYXMWNM-UHFFFAOYSA-N -1 3 295.346 3.024 20 0 CGADHM Cc1ccc(OC(C)C)cc1-c1cncc(-c2nn[n-]n2)c1 ZINC001222148221 816359254 /nfs/dbraw/zinc/35/92/54/816359254.db2.gz BFSLAZVAYXMWNM-UHFFFAOYSA-N -1 3 295.346 3.024 20 0 CGADHM CC(=O)Nc1ccc(C)cc1-c1ccc(F)c([O-])c1 ZINC001243046925 823223566 /nfs/dbraw/zinc/22/35/66/823223566.db2.gz AWJGBYXFARXSOV-UHFFFAOYSA-N -1 3 259.280 3.465 20 0 CGADHM CN1CCOc2cc(-c3ccc(F)c([O-])c3)ccc21 ZINC001243047148 823224425 /nfs/dbraw/zinc/22/44/25/823224425.db2.gz DAZWDRSLQYVYJK-UHFFFAOYSA-N -1 3 259.280 3.027 20 0 CGADHM O=C1CCc2cccc(-c3ccc(F)c([O-])c3)c2N1 ZINC001243049965 823226888 /nfs/dbraw/zinc/22/68/88/823226888.db2.gz CULKCPQCJXIYKA-UHFFFAOYSA-N -1 3 257.264 3.083 20 0 CGADHM Cc1cccc2ncnc(-c3ccc(F)c([O-])c3)c12 ZINC001243053481 823229499 /nfs/dbraw/zinc/22/94/99/823229499.db2.gz DXJRNLYKZOUDEA-UHFFFAOYSA-N -1 3 254.264 3.450 20 0 CGADHM CCOC(=O)c1ccc(OC)cc1-c1ccc(F)c([O-])c1 ZINC001243060912 823232237 /nfs/dbraw/zinc/23/22/37/823232237.db2.gz ALICIWZBZDACAY-UHFFFAOYSA-N -1 3 290.290 3.384 20 0 CGADHM C[C@@H]1CCC[C@@H](Oc2ccc3c([O-])coc3c2)[C@H]1C ZINC001225341077 817018335 /nfs/dbraw/zinc/01/83/35/817018335.db2.gz XKSPXNACFUCLET-JRPNMDOOSA-N -1 3 260.333 3.465 20 0 CGADHM Cc1cnc(=S)[n-]c1OC1CCC(F)(F)CC1 ZINC001225741818 817163874 /nfs/dbraw/zinc/16/38/74/817163874.db2.gz DBKOUUFEGBASHS-UHFFFAOYSA-N -1 3 260.309 3.030 20 0 CGADHM C[C@H]1CC[C@@H](Oc2cc(C(F)(F)F)[n-]c(=S)n2)C1 ZINC001225854521 817196735 /nfs/dbraw/zinc/19/67/35/817196735.db2.gz VHBYPTNVYINRSO-NKWVEPMBSA-N -1 3 278.299 3.352 20 0 CGADHM FC(F)(F)c1cc(OC2CCSCC2)nc(=S)[n-]1 ZINC001225854538 817196764 /nfs/dbraw/zinc/19/67/64/817196764.db2.gz VPWRDPKZQXFACB-UHFFFAOYSA-N -1 3 296.339 3.059 20 0 CGADHM F[C@H]1CCCC[C@H]1Oc1cc(C(F)(F)F)[n-]c(=S)n1 ZINC001225850828 817196935 /nfs/dbraw/zinc/19/69/35/817196935.db2.gz OPHNNICQDUTWBC-NKWVEPMBSA-N -1 3 296.289 3.444 20 0 CGADHM CC(=O)c1ccc([O-])c(O[C@@H]2CCCc3cccnc32)c1 ZINC001225997545 817243172 /nfs/dbraw/zinc/24/31/72/817243172.db2.gz DAIWUIIQFDYTLY-OAHLLOKOSA-N -1 3 283.327 3.446 20 0 CGADHM Cc1c(=O)[n-]cnc1O[C@@H](C)c1csc(Cl)c1 ZINC001226071556 817265123 /nfs/dbraw/zinc/26/51/23/817265123.db2.gz RWJZDERUVQUJHX-ZETCQYMHSA-N -1 3 270.741 3.346 20 0 CGADHM CCC[C@@H](Oc1nc[n-]c(=O)c1C)c1ccc(OC)cc1 ZINC001226077900 817267413 /nfs/dbraw/zinc/26/74/13/817267413.db2.gz YRUXDORIROAWLQ-CQSZACIVSA-N -1 3 288.347 3.419 20 0 CGADHM CCCOc1ccccc1-c1ccc(-c2nnn[n-]2)cc1 ZINC001243124977 823254804 /nfs/dbraw/zinc/25/48/04/823254804.db2.gz DONYNMYCDNQFNI-UHFFFAOYSA-N -1 3 280.331 3.323 20 0 CGADHM CCCOc1ccccc1-c1ccc(-c2nn[n-]n2)cc1 ZINC001243124977 823254807 /nfs/dbraw/zinc/25/48/07/823254807.db2.gz DONYNMYCDNQFNI-UHFFFAOYSA-N -1 3 280.331 3.323 20 0 CGADHM CCCC[C@H](Oc1[n-]c(=O)nnc1C)c1ccccc1 ZINC001226461194 817364939 /nfs/dbraw/zinc/36/49/39/817364939.db2.gz KTPXNBLQYHLQNW-ZDUSSCGKSA-N -1 3 273.336 3.196 20 0 CGADHM CC(=O)c1ccc([O-])c(O[C@@H]2CCC[C@H](C)C2)c1O ZINC001226481267 817371847 /nfs/dbraw/zinc/37/18/47/817371847.db2.gz DWNSLHFNPILSQG-GXSJLCMTSA-N -1 3 264.321 3.258 20 0 CGADHM C[C@H]1CCCC[C@H]1Oc1c([O-])ccc2ccc(=O)oc21 ZINC001226595485 817408452 /nfs/dbraw/zinc/40/84/52/817408452.db2.gz DILOVNGEZXIHOC-GXFFZTMASA-N -1 3 274.316 3.456 20 0 CGADHM C[C@H](Oc1c([O-])ccc2ccc(=O)oc21)c1cccnc1 ZINC001226597608 817409575 /nfs/dbraw/zinc/40/95/75/817409575.db2.gz VLKHLQTZZAKHKV-JTQLQIEISA-N -1 3 283.283 3.034 20 0 CGADHM C[C@H]1CC[C@@H](Oc2c([O-])ccc3ccc(=O)oc32)C1 ZINC001226596620 817409996 /nfs/dbraw/zinc/40/99/96/817409996.db2.gz NECVXGXUZKVRRS-GXSJLCMTSA-N -1 3 260.289 3.066 20 0 CGADHM CCC[C@@H](Oc1cc(=O)[n-]cn1)c1ccc(OC)cc1 ZINC001226945439 817512784 /nfs/dbraw/zinc/51/27/84/817512784.db2.gz USKNUEYPAXZCMH-CYBMUJFWSA-N -1 3 274.320 3.111 20 0 CGADHM C[C@@H](Oc1cnc[n-]c1=O)c1ccc(Br)cc1 ZINC001227048503 817543531 /nfs/dbraw/zinc/54/35/31/817543531.db2.gz FDGFBUVRNWSBHE-MRVPVSSYSA-N -1 3 295.136 3.085 20 0 CGADHM C[C@@H](COC(C)(C)C)Oc1cc(=O)cc(C(F)(F)F)[n-]1 ZINC001227586785 817677921 /nfs/dbraw/zinc/67/79/21/817677921.db2.gz PCLHCGFXFCXRFA-QMMMGPOBSA-N -1 3 293.285 3.388 20 0 CGADHM CCOC[C@H](C)Oc1c([O-])cc(Br)cc1F ZINC001227589035 817677940 /nfs/dbraw/zinc/67/79/40/817677940.db2.gz XQQCGMMJGHHMHR-ZETCQYMHSA-N -1 3 293.132 3.098 20 0 CGADHM [O-]c1cc(Cl)c(O[C@H]2CCc3nccn3C2)cc1Cl ZINC001227646865 817686956 /nfs/dbraw/zinc/68/69/56/817686956.db2.gz UPWIMURMTCHOPQ-QMMMGPOBSA-N -1 3 299.157 3.289 20 0 CGADHM COC(=O)c1ccc([O-])c(O[C@H](C)c2ccccc2C)n1 ZINC001227819816 817726796 /nfs/dbraw/zinc/72/67/96/817726796.db2.gz IJCPLIGWEZULBB-LLVKDONJSA-N -1 3 287.315 3.022 20 0 CGADHM CCCc1c([O-])ccc(C(C)=O)c1O[C@H](CC)COC ZINC001228134444 817820422 /nfs/dbraw/zinc/82/04/22/817820422.db2.gz QWTBYTOSUPOROU-GFCCVEGCSA-N -1 3 280.364 3.351 20 0 CGADHM CCCc1c([O-])ccc(C(C)=O)c1O[C@@H]1CCOC[C@@H]1C ZINC001228136681 817821612 /nfs/dbraw/zinc/82/16/12/817821612.db2.gz PSVHYRNPWQSTQN-MEDUHNTESA-N -1 3 292.375 3.351 20 0 CGADHM Cc1cc(=O)oc2c1ccc([O-])c2O[C@H](C)C1CCC1 ZINC001228630813 817957202 /nfs/dbraw/zinc/95/72/02/817957202.db2.gz UZQWSXAHDNNIMG-SNVBAGLBSA-N -1 3 274.316 3.374 20 0 CGADHM CC[C@H](C[C@@H](C)CC)Oc1nnc(-c2cccnc2)[n-]1 ZINC001228699100 817979219 /nfs/dbraw/zinc/97/92/19/817979219.db2.gz VLKKABYUNMFKLO-WCQYABFASA-N -1 3 274.368 3.460 20 0 CGADHM CC[C@H](C[C@@H](C)CC)Oc1nc(-c2cccnc2)n[n-]1 ZINC001228699100 817979226 /nfs/dbraw/zinc/97/92/26/817979226.db2.gz VLKKABYUNMFKLO-WCQYABFASA-N -1 3 274.368 3.460 20 0 CGADHM CC[C@H](C[C@@H](C)CC)Oc1n[n-]c(-c2cccnc2)n1 ZINC001228699100 817979231 /nfs/dbraw/zinc/97/92/31/817979231.db2.gz VLKKABYUNMFKLO-WCQYABFASA-N -1 3 274.368 3.460 20 0 CGADHM C[C@H]1CCCC[C@@H]1Oc1cc2c(cc1[O-])CCC2=O ZINC001228853781 818023143 /nfs/dbraw/zinc/02/31/43/818023143.db2.gz KTRKHEPFPZVPSA-BONVTDFDSA-N -1 3 260.333 3.479 20 0 CGADHM [O-]c1ccccc1Oc1ccccc1O[C@@H]1CCOC1 ZINC001231218026 818059415 /nfs/dbraw/zinc/05/94/15/818059415.db2.gz HRDYHFHXXFNJAO-GFCCVEGCSA-N -1 3 272.300 3.352 20 0 CGADHM O=C([O-])c1ccc(F)c(CN2C[C@H]3[C@H](CCC3(F)F)C2)c1 ZINC001231456529 818103100 /nfs/dbraw/zinc/10/31/00/818103100.db2.gz CDOPAXWPUYZNRP-PWSUYJOCSA-N -1 3 299.292 3.001 20 0 CGADHM [O-]c1cc(CN2CCC3(CCC3)C2)cc(F)c1F ZINC001232972965 818488920 /nfs/dbraw/zinc/48/89/20/818488920.db2.gz ILXNFOTUNSFDRD-UHFFFAOYSA-N -1 3 253.292 3.046 20 0 CGADHM [O-]c1cnc(Cl)cc1CN1CCCC(F)(F)CC1 ZINC001233032938 818506592 /nfs/dbraw/zinc/50/65/92/818506592.db2.gz WLBCLUUFCMRROW-UHFFFAOYSA-N -1 3 276.714 3.062 20 0 CGADHM [O-]c1cccc(CN2CCC[C@H]2c2cccnc2)c1F ZINC001233049589 818510777 /nfs/dbraw/zinc/51/07/77/818510777.db2.gz FMIFLSLJNHSOHX-AWEZNQCLSA-N -1 3 272.323 3.263 20 0 CGADHM [O-]c1ccc(F)c(CN2Cc3cnc(Cl)cc3C2)c1F ZINC001233396898 818610177 /nfs/dbraw/zinc/61/01/77/818610177.db2.gz BKBLQUQJNHCFRG-UHFFFAOYSA-N -1 3 296.704 3.235 20 0 CGADHM COC[C@H](C)OC[C@H](C)Oc1cc(Cl)c([O-])cc1C ZINC001233591380 818652749 /nfs/dbraw/zinc/65/27/49/818652749.db2.gz GAINRVZFJZIPOC-QWRGUYRKSA-N -1 3 288.771 3.173 20 0 CGADHM C[C@H](COc1ccc2occ([O-])c2c1)Oc1ccccc1 ZINC001233681091 818678381 /nfs/dbraw/zinc/67/83/81/818678381.db2.gz RJNSGEIELOOSBN-GFCCVEGCSA-N -1 3 284.311 3.108 20 0 CGADHM NC(=O)c1c([O-])cccc1O[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC001234148694 818792455 /nfs/dbraw/zinc/79/24/55/818792455.db2.gz JEKWCJUKCALKQV-JHJVBQTASA-N -1 3 289.375 3.229 20 0 CGADHM C[C@H](Oc1c(Cl)ccc([O-])c1F)c1cncnc1 ZINC001234265606 818820966 /nfs/dbraw/zinc/82/09/66/818820966.db2.gz XPXDONFMHMOGTK-ZETCQYMHSA-N -1 3 268.675 3.115 20 0 CGADHM [O-]c1ccc(Cl)c(OC[C@@H]2CCC=CO2)c1F ZINC001234263837 818821312 /nfs/dbraw/zinc/82/13/12/818821312.db2.gz IGNBZFJSHHTDMS-QMMMGPOBSA-N -1 3 258.676 3.256 20 0 CGADHM C[C@H](Cc1ccccc1)Oc1nc2c(cccc2[O-])[nH]1 ZINC001234448827 818857294 /nfs/dbraw/zinc/85/72/94/818857294.db2.gz ZVSCWMPKKGIQJF-LLVKDONJSA-N -1 3 268.316 3.279 20 0 CGADHM [O-]c1cccc2[nH]c(O[C@@H]3CCc4ccccc43)nc21 ZINC001234447685 818857309 /nfs/dbraw/zinc/85/73/09/818857309.db2.gz PKRFPYCYWSSYIG-CQSZACIVSA-N -1 3 266.300 3.335 20 0 CGADHM [O-]c1cccc2[nH]c(OC3CCC(F)(F)CC3)nc21 ZINC001234445802 818857682 /nfs/dbraw/zinc/85/76/82/818857682.db2.gz CFBFSGWUQSZNIO-UHFFFAOYSA-N -1 3 268.263 3.225 20 0 CGADHM CC(C)[C@H](Oc1nc2ccsc2[n-]1)C(=O)OC(C)(C)C ZINC001234847408 818932135 /nfs/dbraw/zinc/93/21/35/818932135.db2.gz JAQCNHHJPPTNDB-JTQLQIEISA-N -1 3 296.392 3.370 20 0 CGADHM CSc1cnc(-c2cc([O-])cc(Cl)c2)nc1 ZINC001235898159 819207608 /nfs/dbraw/zinc/20/76/08/819207608.db2.gz BJMJYNMNMIUPON-UHFFFAOYSA-N -1 3 252.726 3.225 20 0 CGADHM CC(C)n1cnc2cnc(-c3cc([O-])cc(Cl)c3)nc21 ZINC001235898915 819209089 /nfs/dbraw/zinc/20/90/89/819209089.db2.gz FQKJMDBEGDFMAH-UHFFFAOYSA-N -1 3 288.738 3.433 20 0 CGADHM CCCNc1ccnc(-c2cc([O-])cc(Cl)c2)n1 ZINC001235900759 819210982 /nfs/dbraw/zinc/21/09/82/819210982.db2.gz XRHKQGDHUCROJF-UHFFFAOYSA-N -1 3 263.728 3.325 20 0 CGADHM [O-]c1cc(Cl)cc(-c2ncc3c(n2)CCCC3)c1 ZINC001235900406 819211079 /nfs/dbraw/zinc/21/10/79/819211079.db2.gz NUIGFHFUTOECHT-UHFFFAOYSA-N -1 3 260.724 3.381 20 0 CGADHM [O-]c1cc(Cl)cc(-c2nccnc2C(F)F)c1 ZINC001235903629 819212998 /nfs/dbraw/zinc/21/29/98/819212998.db2.gz FOTBYTDBHWICNV-UHFFFAOYSA-N -1 3 256.639 3.440 20 0 CGADHM [O-]c1cc(Cl)cc(-c2cncc3cc(CO)oc32)c1 ZINC001235905391 819214493 /nfs/dbraw/zinc/21/44/93/819214493.db2.gz WSJQXIGNXGDTIT-UHFFFAOYSA-N -1 3 275.691 3.346 20 0 CGADHM Cc1ccc(-c2cc(O)cc(Cl)c2)cc1-c1nn[n-]n1 ZINC001235909128 819217867 /nfs/dbraw/zinc/21/78/67/819217867.db2.gz NPTSYQORRKIFMM-UHFFFAOYSA-N -1 3 286.722 3.201 20 0 CGADHM CCCOc1ccc(F)cc1-c1ccccc1-c1nnn[n-]1 ZINC001243402060 823394554 /nfs/dbraw/zinc/39/45/54/823394554.db2.gz JSDZMFZHHRFYHE-UHFFFAOYSA-N -1 3 298.321 3.462 20 0 CGADHM CCCOc1ccc(F)cc1-c1ccccc1-c1nn[n-]n1 ZINC001243402060 823394559 /nfs/dbraw/zinc/39/45/59/823394559.db2.gz JSDZMFZHHRFYHE-UHFFFAOYSA-N -1 3 298.321 3.462 20 0 CGADHM [S-]c1ccoc1CN1Cc2cnn(-c3ccccc3)c2C1 ZINC001237185261 819690050 /nfs/dbraw/zinc/69/00/50/819690050.db2.gz VNQJDPKMFLSHFX-UHFFFAOYSA-N -1 3 297.383 3.270 20 0 CGADHM [O-]c1cccc(-c2nncc3ccc(F)cc32)c1F ZINC001243541047 823435933 /nfs/dbraw/zinc/43/59/33/823435933.db2.gz CKXCAXWSTIGRPU-UHFFFAOYSA-N -1 3 258.227 3.281 20 0 CGADHM CCOC(=O)c1cc(C)cnc1-c1cccc([O-])c1F ZINC001243543183 823436664 /nfs/dbraw/zinc/43/66/64/823436664.db2.gz RERRWWBXSSXFOQ-UHFFFAOYSA-N -1 3 275.279 3.078 20 0 CGADHM [O-]c1cccc(-c2ncnc3cc(F)ccc32)c1F ZINC001243544772 823437300 /nfs/dbraw/zinc/43/73/00/823437300.db2.gz XJELAYMSMXIGAG-UHFFFAOYSA-N -1 3 258.227 3.281 20 0 CGADHM O=c1c(-c2cccc([O-])c2F)cccn1-c1ccccc1F ZINC001243545467 823438009 /nfs/dbraw/zinc/43/80/09/823438009.db2.gz BEHORXJBZBUNDC-UHFFFAOYSA-N -1 3 299.276 3.488 20 0 CGADHM CCOC(=O)CCc1cccnc1-c1cccc([O-])c1F ZINC001243545735 823438045 /nfs/dbraw/zinc/43/80/45/823438045.db2.gz FAGAQQNQMJWCAZ-UHFFFAOYSA-N -1 3 289.306 3.089 20 0 CGADHM O=c1ccc(-c2cccc([O-])c2F)cn1-c1ccccc1F ZINC001243546033 823438655 /nfs/dbraw/zinc/43/86/55/823438655.db2.gz KHFQULHEYWUKQX-UHFFFAOYSA-N -1 3 299.276 3.488 20 0 CGADHM CCOc1ccc(-c2cccc([O-])c2F)c(OCC)n1 ZINC001243546568 823439051 /nfs/dbraw/zinc/43/90/51/823439051.db2.gz PMLMFZPUHNHVSM-UHFFFAOYSA-N -1 3 277.295 3.391 20 0 CGADHM c1oc2ccccc2c1-c1ccc(Cc2nnn[n-]2)cc1 ZINC001239064081 820211298 /nfs/dbraw/zinc/21/12/98/820211298.db2.gz IOFSFNNDGDTEGQ-UHFFFAOYSA-N -1 3 276.299 3.204 20 0 CGADHM c1oc2ccccc2c1-c1ccc(Cc2nn[n-]n2)cc1 ZINC001239064081 820211303 /nfs/dbraw/zinc/21/13/03/820211303.db2.gz IOFSFNNDGDTEGQ-UHFFFAOYSA-N -1 3 276.299 3.204 20 0 CGADHM Cc1cc(C)c(-c2ccc(-c3nnn[n-]3)cc2)c(C)c1 ZINC001239550937 820403770 /nfs/dbraw/zinc/40/37/70/820403770.db2.gz QXSFPCUUBAWVNQ-UHFFFAOYSA-N -1 3 264.332 3.459 20 0 CGADHM Cc1cc(C)c(-c2ccc(-c3nn[n-]n3)cc2)c(C)c1 ZINC001239550937 820403774 /nfs/dbraw/zinc/40/37/74/820403774.db2.gz QXSFPCUUBAWVNQ-UHFFFAOYSA-N -1 3 264.332 3.459 20 0 CGADHM CN1CCN(c2cccc(-c3ccccc3[S-])c2)CC1 ZINC001243668537 823480636 /nfs/dbraw/zinc/48/06/36/823480636.db2.gz ICEAEQSNEPZJME-UHFFFAOYSA-N -1 3 284.428 3.394 20 0 CGADHM Fc1ccc(-c2nnn[n-]2)cc1-c1ccc2[nH]ccc2c1 ZINC001239696024 820527183 /nfs/dbraw/zinc/52/71/83/820527183.db2.gz KWRGTKUNMUXUHD-UHFFFAOYSA-N -1 3 279.278 3.154 20 0 CGADHM Fc1ccc(-c2nn[n-]n2)cc1-c1ccc2[nH]ccc2c1 ZINC001239696024 820527187 /nfs/dbraw/zinc/52/71/87/820527187.db2.gz KWRGTKUNMUXUHD-UHFFFAOYSA-N -1 3 279.278 3.154 20 0 CGADHM Cc1ccc(-c2ccnc3ccccc32)cc1-c1nnn[n-]1 ZINC001239855271 820660717 /nfs/dbraw/zinc/66/07/17/820660717.db2.gz WXQHIPXLNBZTKK-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM Cc1ccc(-c2ccnc3ccccc32)cc1-c1nn[n-]n1 ZINC001239855271 820660720 /nfs/dbraw/zinc/66/07/20/820660720.db2.gz WXQHIPXLNBZTKK-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM Cc1ccc(-c2cccc3cnccc32)cc1-c1nnn[n-]1 ZINC001240010464 820777744 /nfs/dbraw/zinc/77/77/44/820777744.db2.gz CYSKIEZRGQSGCT-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM Cc1ccc(-c2cccc3cnccc32)cc1-c1nn[n-]n1 ZINC001240010464 820777749 /nfs/dbraw/zinc/77/77/49/820777749.db2.gz CYSKIEZRGQSGCT-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM Cc1ccc(-c2cc(F)cc3[nH]ccc32)cc1-c1nnn[n-]1 ZINC001240042761 820799650 /nfs/dbraw/zinc/79/96/50/820799650.db2.gz RKQGAZJCYUZHEF-UHFFFAOYSA-N -1 3 293.305 3.463 20 0 CGADHM Cc1ccc(-c2cc(F)cc3[nH]ccc32)cc1-c1nn[n-]n1 ZINC001240042761 820799653 /nfs/dbraw/zinc/79/96/53/820799653.db2.gz RKQGAZJCYUZHEF-UHFFFAOYSA-N -1 3 293.305 3.463 20 0 CGADHM CC(C)n1cnc2cc(-c3ccc(=S)[n-]n3)ccc21 ZINC001240368820 820998895 /nfs/dbraw/zinc/99/88/95/820998895.db2.gz SMDRHOXAFBGCAD-UHFFFAOYSA-N -1 3 270.361 3.363 20 0 CGADHM COc1c(F)cc(-c2ccc([O-])c(F)c2)cc1F ZINC001240785666 821325200 /nfs/dbraw/zinc/32/52/00/821325200.db2.gz LONFBXYQRXBJHT-UHFFFAOYSA-N -1 3 254.207 3.485 20 0 CGADHM O=C1CSc2cc(-c3ccc([O-])c(F)c3)ccc2N1 ZINC001240786377 821326402 /nfs/dbraw/zinc/32/64/02/821326402.db2.gz JLMPSXWDWWDJHY-UHFFFAOYSA-N -1 3 275.304 3.243 20 0 CGADHM COC(=O)c1cc2[nH]ccc2c(-c2ccc([O-])c(F)c2)c1 ZINC001240787332 821328291 /nfs/dbraw/zinc/32/82/91/821328291.db2.gz YNXMRZDDHPSWCN-UHFFFAOYSA-N -1 3 285.274 3.466 20 0 CGADHM [O-]c1ccc(-c2ccc(OC(F)F)nc2)cc1F ZINC001240787126 821328454 /nfs/dbraw/zinc/32/84/54/821328454.db2.gz MXFCVMUIJQFVRX-UHFFFAOYSA-N -1 3 255.195 3.195 20 0 CGADHM COC(=O)c1cccc(C)c1-c1ccc([O-])c(F)c1 ZINC001240787345 821328535 /nfs/dbraw/zinc/32/85/35/821328535.db2.gz ZCQXYWFEEAIGRN-UHFFFAOYSA-N -1 3 260.264 3.293 20 0 CGADHM CN1CCc2ccc(-c3ccc(C(=O)[O-])s3)cc2C1 ZINC001240848050 821368584 /nfs/dbraw/zinc/36/85/84/821368584.db2.gz CJLQSSSDPYMZIB-UHFFFAOYSA-N -1 3 273.357 3.101 20 0 CGADHM CCOC(=O)/C=C/c1cccnc1-c1ccccc1[O-] ZINC001241001699 821480992 /nfs/dbraw/zinc/48/09/92/821480992.db2.gz FMETUJPRDNSINS-MDZDMXLPSA-N -1 3 269.300 3.031 20 0 CGADHM CCOC(=O)c1cc2ccnc(-c3ccccc3[O-])c2[nH]1 ZINC001241003960 821483193 /nfs/dbraw/zinc/48/31/93/821483193.db2.gz ZLCUHNIVUUXNOD-UHFFFAOYSA-N -1 3 282.299 3.112 20 0 CGADHM COc1c(C)cc(-c2cc(F)cc(-c3nnn[n-]3)c2)cc1C ZINC001241019214 821494361 /nfs/dbraw/zinc/49/43/61/821494361.db2.gz DZXZFFRGLHGPNE-UHFFFAOYSA-N -1 3 298.321 3.298 20 0 CGADHM COc1c(C)cc(-c2cc(F)cc(-c3nn[n-]n3)c2)cc1C ZINC001241019214 821494366 /nfs/dbraw/zinc/49/43/66/821494366.db2.gz DZXZFFRGLHGPNE-UHFFFAOYSA-N -1 3 298.321 3.298 20 0 CGADHM Cc1ccc(-c2cc3c(nn2)CC[C@@H](C)C3)c([O-])c1 ZINC001241035772 821511781 /nfs/dbraw/zinc/51/17/81/821511781.db2.gz GYXFWLZPVJSNJN-SNVBAGLBSA-N -1 3 254.333 3.282 20 0 CGADHM Fc1cc(-c2ccc(Cc3nnn[n-]3)cc2)ccc1Cl ZINC001241232728 821656938 /nfs/dbraw/zinc/65/69/38/821656938.db2.gz PHBUKRYNWCTRGI-UHFFFAOYSA-N -1 3 288.713 3.250 20 0 CGADHM Fc1cc(-c2ccc(Cc3nn[n-]n3)cc2)ccc1Cl ZINC001241232728 821656944 /nfs/dbraw/zinc/65/69/44/821656944.db2.gz PHBUKRYNWCTRGI-UHFFFAOYSA-N -1 3 288.713 3.250 20 0 CGADHM Cc1cccc2ncnc(-c3cc([O-])cc(F)c3)c12 ZINC001241256428 821677319 /nfs/dbraw/zinc/67/73/19/821677319.db2.gz VPYSCXPUSGLLLK-UHFFFAOYSA-N -1 3 254.264 3.450 20 0 CGADHM [O-]c1cc(F)cc(-c2cc(OCC3CC3)ccn2)c1 ZINC001241262117 821681085 /nfs/dbraw/zinc/68/10/85/821681085.db2.gz WHQYJTRPFBMFKV-UHFFFAOYSA-N -1 3 259.280 3.382 20 0 CGADHM COC(=O)c1cc(-c2cc([O-])cc(F)c2)c(C)cc1F ZINC001241266040 821685533 /nfs/dbraw/zinc/68/55/33/821685533.db2.gz BNOFGWANWWWOPL-UHFFFAOYSA-N -1 3 278.254 3.432 20 0 CGADHM CC(=O)Nc1ccc(C)cc1-c1cc([O-])cc(F)c1 ZINC001241271923 821691125 /nfs/dbraw/zinc/69/11/25/821691125.db2.gz VYDULCMZWNHGEH-UHFFFAOYSA-N -1 3 259.280 3.465 20 0 CGADHM CCOc1ccc(-c2ccc(-c3nnn[n-]3)c(F)c2)c(C)c1 ZINC001241272889 821691331 /nfs/dbraw/zinc/69/13/31/821691331.db2.gz LEAMRKGOKAVPFV-UHFFFAOYSA-N -1 3 298.321 3.380 20 0 CGADHM CCOc1ccc(-c2ccc(-c3nn[n-]n3)c(F)c2)c(C)c1 ZINC001241272889 821691335 /nfs/dbraw/zinc/69/13/35/821691335.db2.gz LEAMRKGOKAVPFV-UHFFFAOYSA-N -1 3 298.321 3.380 20 0 CGADHM CCOc1ccc(-c2cc([O-])cc(F)c2)c(OCC)n1 ZINC001241280699 821699437 /nfs/dbraw/zinc/69/94/37/821699437.db2.gz SBLLWUORIPIGSS-UHFFFAOYSA-N -1 3 277.295 3.391 20 0 CGADHM COc1cc(F)cc(-c2c(F)ccc([O-])c2F)c1 ZINC001241291422 821707905 /nfs/dbraw/zinc/70/79/05/821707905.db2.gz OQFIGWKTFSQYQX-UHFFFAOYSA-N -1 3 254.207 3.485 20 0 CGADHM CCOc1cc(-c2c(F)ccc([O-])c2F)ccn1 ZINC001241291598 821709020 /nfs/dbraw/zinc/70/90/20/821709020.db2.gz SEOGCSWZLMDIJW-UHFFFAOYSA-N -1 3 251.232 3.131 20 0 CGADHM Cc1nc2ncc(-c3c(F)ccc([O-])c3F)cc2o1 ZINC001241292682 821709927 /nfs/dbraw/zinc/70/99/27/821709927.db2.gz HMWILJAIDWHOTP-UHFFFAOYSA-N -1 3 262.215 3.182 20 0 CGADHM C[S@](=O)c1ccccc1-c1c(F)ccc([O-])c1F ZINC001241293295 821711249 /nfs/dbraw/zinc/71/12/49/821711249.db2.gz QYJVKVWACQBDMS-SFHVURJKSA-N -1 3 268.284 3.075 20 0 CGADHM CCOC(=O)c1cc(-c2c(F)ccc([O-])c2F)cnc1F ZINC001241294967 821712380 /nfs/dbraw/zinc/71/23/80/821712380.db2.gz BZRSYWKZGWKTTQ-UHFFFAOYSA-N -1 3 297.232 3.048 20 0 CGADHM [O-]c1ccc(F)c(-c2ccnc3ncccc32)c1F ZINC001241293844 821712759 /nfs/dbraw/zinc/71/27/59/821712759.db2.gz CMUZTXCZJLXXRX-UHFFFAOYSA-N -1 3 258.227 3.281 20 0 CGADHM COCOc1cc(-c2c(F)ccc([O-])c2F)ccc1F ZINC001241295196 821713933 /nfs/dbraw/zinc/71/39/33/821713933.db2.gz IMWNXXSJHLADPZ-UHFFFAOYSA-N -1 3 284.233 3.459 20 0 CGADHM Cc1csc2ccc(-c3ccc(-c4nnn[n-]4)cc3)nc12 ZINC001241442759 821836713 /nfs/dbraw/zinc/83/67/13/821836713.db2.gz QBNGGPOOENQVIY-UHFFFAOYSA-N -1 3 293.355 3.452 20 0 CGADHM Cc1csc2ccc(-c3ccc(-c4nn[n-]n4)cc3)nc12 ZINC001241442759 821836723 /nfs/dbraw/zinc/83/67/23/821836723.db2.gz QBNGGPOOENQVIY-UHFFFAOYSA-N -1 3 293.355 3.452 20 0 CGADHM c1cc2cccc(-c3ccc(-c4nnn[n-]4)cc3)c2[nH]1 ZINC001241443173 821837111 /nfs/dbraw/zinc/83/71/11/821837111.db2.gz BLPQZRAPJCQMQA-UHFFFAOYSA-N -1 3 261.288 3.015 20 0 CGADHM c1cc2cccc(-c3ccc(-c4nn[n-]n4)cc3)c2[nH]1 ZINC001241443173 821837119 /nfs/dbraw/zinc/83/71/19/821837119.db2.gz BLPQZRAPJCQMQA-UHFFFAOYSA-N -1 3 261.288 3.015 20 0 CGADHM c1ccc(-c2ccc(-c3nnn[n-]3)cc2)c(OC2CC2)c1 ZINC001241445096 821841157 /nfs/dbraw/zinc/84/11/57/821841157.db2.gz KKUNYWRHRWXGCH-UHFFFAOYSA-N -1 3 278.315 3.075 20 0 CGADHM c1ccc(-c2ccc(-c3nn[n-]n3)cc2)c(OC2CC2)c1 ZINC001241445096 821841166 /nfs/dbraw/zinc/84/11/66/821841166.db2.gz KKUNYWRHRWXGCH-UHFFFAOYSA-N -1 3 278.315 3.075 20 0 CGADHM CCc1cc(-c2ccc(-c3nnn[n-]3)cc2)ccc1OC ZINC001241446396 821843267 /nfs/dbraw/zinc/84/32/67/821843267.db2.gz FNHKWPVDVGZIOP-UHFFFAOYSA-N -1 3 280.331 3.105 20 0 CGADHM CCc1cc(-c2ccc(-c3nn[n-]n3)cc2)ccc1OC ZINC001241446396 821843275 /nfs/dbraw/zinc/84/32/75/821843275.db2.gz FNHKWPVDVGZIOP-UHFFFAOYSA-N -1 3 280.331 3.105 20 0 CGADHM Cc1ccc(-c2cccc3c2ccn3C)cc1-c1nnn[n-]1 ZINC001241823791 822165295 /nfs/dbraw/zinc/16/52/95/822165295.db2.gz WCMZRXKRPMSGFY-UHFFFAOYSA-N -1 3 289.342 3.334 20 0 CGADHM Cc1ccc(-c2cccc3c2ccn3C)cc1-c1nn[n-]n1 ZINC001241823791 822165298 /nfs/dbraw/zinc/16/52/98/822165298.db2.gz WCMZRXKRPMSGFY-UHFFFAOYSA-N -1 3 289.342 3.334 20 0 CGADHM S=c1ccc(-c2cccnc2OCc2ccccc2)n[n-]1 ZINC001241829880 822167420 /nfs/dbraw/zinc/16/74/20/822167420.db2.gz ZDGLGTLECSNMPN-UHFFFAOYSA-N -1 3 295.367 3.406 20 0 CGADHM c1nn(C2CCCCC2)cc1-c1cccc(-c2nnn[n-]2)c1 ZINC001241841483 822176534 /nfs/dbraw/zinc/17/65/34/822176534.db2.gz MRSUYYYSJVIXEO-UHFFFAOYSA-N -1 3 294.362 3.235 20 0 CGADHM c1nn(C2CCCCC2)cc1-c1cccc(-c2nn[n-]n2)c1 ZINC001241841483 822176537 /nfs/dbraw/zinc/17/65/37/822176537.db2.gz MRSUYYYSJVIXEO-UHFFFAOYSA-N -1 3 294.362 3.235 20 0 CGADHM COc1cccc(-c2ccccc2-c2nnn[n-]2)c1Cl ZINC001241857693 822181827 /nfs/dbraw/zinc/18/18/27/822181827.db2.gz PPVNHALDPKXDRT-UHFFFAOYSA-N -1 3 286.722 3.196 20 0 CGADHM COc1cccc(-c2ccccc2-c2nn[n-]n2)c1Cl ZINC001241857693 822181833 /nfs/dbraw/zinc/18/18/33/822181833.db2.gz PPVNHALDPKXDRT-UHFFFAOYSA-N -1 3 286.722 3.196 20 0 CGADHM Fc1cc(-c2nnn[n-]2)cc(-c2cccc(Cl)c2)c1 ZINC001242145681 822893623 /nfs/dbraw/zinc/89/36/23/822893623.db2.gz HDPLFYPPEKHXHD-UHFFFAOYSA-N -1 3 274.686 3.326 20 0 CGADHM Fc1cc(-c2nn[n-]n2)cc(-c2cccc(Cl)c2)c1 ZINC001242145681 822893626 /nfs/dbraw/zinc/89/36/26/822893626.db2.gz HDPLFYPPEKHXHD-UHFFFAOYSA-N -1 3 274.686 3.326 20 0 CGADHM Nc1cn2ccc(-c3ccc([O-])c(C(F)(F)F)c3)cc2n1 ZINC001242157846 822898831 /nfs/dbraw/zinc/89/88/31/822898831.db2.gz NKJCWECNVSQIBN-UHFFFAOYSA-N -1 3 293.248 3.308 20 0 CGADHM CC(C)c1nnc2ccc(-c3ccc(F)cc3[O-])cn21 ZINC001242219400 822915433 /nfs/dbraw/zinc/91/54/33/822915433.db2.gz RRAQGJNZMUMMGB-UHFFFAOYSA-N -1 3 271.295 3.364 20 0 CGADHM [O-]c1cc(F)ccc1-c1ccc2c(c1)NC(=S)C2 ZINC001242219524 822915449 /nfs/dbraw/zinc/91/54/49/822915449.db2.gz JOHSWOGYBBUNHT-UHFFFAOYSA-N -1 3 259.305 3.494 20 0 CGADHM CC1(C)CNC(=O)c2cc(-c3ccc(F)cc3[O-])ccc21 ZINC001242220063 822916035 /nfs/dbraw/zinc/91/60/35/822916035.db2.gz ZZSVVHSEFTVQOH-UHFFFAOYSA-N -1 3 285.318 3.219 20 0 CGADHM COC(=O)c1noc2cc(-c3ccc(F)cc3[O-])ccc21 ZINC001242220661 822916881 /nfs/dbraw/zinc/91/68/81/822916881.db2.gz JUBFLKXRDGXMHT-UHFFFAOYSA-N -1 3 287.246 3.126 20 0 CGADHM Fc1ccc(C2=CCC(F)(F)CC2)cc1-c1nnn[n-]1 ZINC001242235117 822920531 /nfs/dbraw/zinc/92/05/31/822920531.db2.gz PICRKYQQSOXRBO-UHFFFAOYSA-N -1 3 280.253 3.208 20 0 CGADHM Fc1ccc(C2=CCC(F)(F)CC2)cc1-c1nn[n-]n1 ZINC001242235117 822920533 /nfs/dbraw/zinc/92/05/33/822920533.db2.gz PICRKYQQSOXRBO-UHFFFAOYSA-N -1 3 280.253 3.208 20 0 CGADHM Fc1cc(-c2nnn[n-]2)cc(-c2ccc3cccnc3c2)c1 ZINC001242252737 822928059 /nfs/dbraw/zinc/92/80/59/822928059.db2.gz HSMWUCGTXFIXKA-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Fc1cc(-c2nn[n-]n2)cc(-c2ccc3cccnc3c2)c1 ZINC001242252737 822928060 /nfs/dbraw/zinc/92/80/60/822928060.db2.gz HSMWUCGTXFIXKA-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM CC1(C)CC=C(c2ccc(Cc3nnn[n-]3)cc2)CC1 ZINC001242329529 822952909 /nfs/dbraw/zinc/95/29/09/822952909.db2.gz BSYMGQMBOUYFTD-UHFFFAOYSA-N -1 3 268.364 3.384 20 0 CGADHM CC1(C)CC=C(c2ccc(Cc3nn[n-]n3)cc2)CC1 ZINC001242329529 822952910 /nfs/dbraw/zinc/95/29/10/822952910.db2.gz BSYMGQMBOUYFTD-UHFFFAOYSA-N -1 3 268.364 3.384 20 0 CGADHM [O-]c1c(F)cccc1-c1ccc(Cn2ccnc2)cc1 ZINC001242350228 822960716 /nfs/dbraw/zinc/96/07/16/822960716.db2.gz DUEJIIFBFGBLIC-UHFFFAOYSA-N -1 3 268.291 3.443 20 0 CGADHM COC(=O)c1cc2ccc(-c3cccc(F)c3[O-])cc2n1C ZINC001242350613 822960930 /nfs/dbraw/zinc/96/09/30/822960930.db2.gz IMMQMBQCSPECBK-UHFFFAOYSA-N -1 3 299.301 3.477 20 0 CGADHM COC(=O)CCc1ccc(-c2cccc(F)c2[O-])cc1 ZINC001242350997 822961019 /nfs/dbraw/zinc/96/10/19/822961019.db2.gz MNRZVAWHOHGUMJ-UHFFFAOYSA-N -1 3 274.291 3.304 20 0 CGADHM COC(=O)c1cc2ccc(-c3cccc(F)c3[O-])cc2[nH]1 ZINC001242351424 822961091 /nfs/dbraw/zinc/96/10/91/822961091.db2.gz KHRBTXVKGBDMDK-UHFFFAOYSA-N -1 3 285.274 3.466 20 0 CGADHM [O-]c1c(F)cccc1-c1ccc(C2OCCO2)cc1 ZINC001242351388 822961126 /nfs/dbraw/zinc/96/11/26/822961126.db2.gz IULFHADGZMEJQS-UHFFFAOYSA-N -1 3 260.264 3.244 20 0 CGADHM COC(=O)[C@H](C)c1ccc(-c2cccc(F)c2[O-])cc1 ZINC001242352044 822961807 /nfs/dbraw/zinc/96/18/07/822961807.db2.gz JDTNJNXIWOOILW-SNVBAGLBSA-N -1 3 274.291 3.475 20 0 CGADHM COC(=O)c1c[nH]c2cc(-c3cccc(F)c3[O-])ccc21 ZINC001242352379 822962259 /nfs/dbraw/zinc/96/22/59/822962259.db2.gz VBLKNBSUGYYXLK-UHFFFAOYSA-N -1 3 285.274 3.466 20 0 CGADHM CC1(C)[C@H](CCC(=O)[O-])C[C@@H]1NCc1cccnc1Cl ZINC001350000224 936973213 /nfs/dbraw/zinc/97/32/13/936973213.db2.gz CVFSWGCWFLZWLJ-NEPJUHHUSA-N -1 3 296.798 3.104 20 0 CGADHM CCCCN(C(=O)c1cc2c(cc1[O-])OCO2)[C@@H](C)CC ZINC000436553435 927447554 /nfs/dbraw/zinc/44/75/54/927447554.db2.gz CAZGWIQXFIXHSE-NSHDSACASA-N -1 3 293.363 3.162 20 0 CGADHM COc1ccc([C@@H](C)NCc2ccc(C(=O)[O-])s2)cc1 ZINC000234956362 928210767 /nfs/dbraw/zinc/21/07/67/928210767.db2.gz HQRQNHDYVAHAOQ-SNVBAGLBSA-N -1 3 291.372 3.306 20 0 CGADHM O=c1nc(Cl)cc(SCc2ccccc2F)[n-]1 ZINC001363178616 937231115 /nfs/dbraw/zinc/23/11/15/937231115.db2.gz NCWXDUGPVNUAOO-UHFFFAOYSA-N -1 3 270.716 3.267 20 0 CGADHM C/C(=C/c1ccco1)C(=O)Nc1cccc([O-])c1F ZINC001545836025 937248361 /nfs/dbraw/zinc/24/83/61/937248361.db2.gz YMZSOPMXSRAXHS-HJWRWDBZSA-N -1 3 261.252 3.166 20 0 CGADHM Cc1cccc2c1CCC[C@@H]2[N-]C(=O)C(F)(F)C(F)F ZINC001461796551 928763875 /nfs/dbraw/zinc/76/38/75/928763875.db2.gz KMKMFMAIEPLICO-NSHDSACASA-N -1 3 289.272 3.389 20 0 CGADHM O=C(Nc1cccc2[nH]ccc21)c1[n-]cnc1C(F)(F)F ZINC001443016688 937345087 /nfs/dbraw/zinc/34/50/87/937345087.db2.gz QUWTXCPNJGHIMF-UHFFFAOYSA-N -1 3 294.236 3.162 20 0 CGADHM O=C(Nc1cccc2[nH]ccc21)c1nc[n-]c1C(F)(F)F ZINC001443016688 937345091 /nfs/dbraw/zinc/34/50/91/937345091.db2.gz QUWTXCPNJGHIMF-UHFFFAOYSA-N -1 3 294.236 3.162 20 0 CGADHM COc1cccc([O-])c1C(=O)N[C@@H]1CCc2c1cccc2C ZINC001443706212 937348737 /nfs/dbraw/zinc/34/87/37/937348737.db2.gz ZVLWXMXJNBALFO-CQSZACIVSA-N -1 3 297.354 3.127 20 0 CGADHM Cc1ccncc1CNC(=O)c1cc([O-])c2ccccc2c1 ZINC001450019702 937382408 /nfs/dbraw/zinc/38/24/08/937382408.db2.gz TWAUTWHKVLKZTL-UHFFFAOYSA-N -1 3 292.338 3.179 20 0 CGADHM CN(CC1=CCSC1)C(=O)c1cc([O-])c2ccccc2c1 ZINC001453946199 937405632 /nfs/dbraw/zinc/40/56/32/937405632.db2.gz SJMPTGHMAICOFD-UHFFFAOYSA-N -1 3 299.395 3.291 20 0 CGADHM Cc1cscc1NC(=O)c1c[n-]c2c(C)cccc2c1=O ZINC001457718081 937444686 /nfs/dbraw/zinc/44/46/86/937444686.db2.gz QHMYNZZKJPLEPO-UHFFFAOYSA-N -1 3 298.367 3.459 20 0 CGADHM O=C(Nc1cnc2c(F)cccc2c1)c1c([O-])cccc1O ZINC001457921236 937446998 /nfs/dbraw/zinc/44/69/98/937446998.db2.gz AHLVVKVRMXYUIZ-UHFFFAOYSA-N -1 3 298.273 3.037 20 0 CGADHM [O-]c1cc(O)cc(O[C@@H]2C[C@H]3CC[C@@H]2C3)c1Br ZINC001229098208 932093334 /nfs/dbraw/zinc/09/33/34/932093334.db2.gz CZJJUQBDJYNCAL-VAOFZXAKSA-N -1 3 299.164 3.428 20 0 CGADHM Cc1csc2[n-]c(=S)nc(O[C@@H]3CCOC[C@@H]3C)c12 ZINC001229353140 932138335 /nfs/dbraw/zinc/13/83/35/932138335.db2.gz LWTDYIZWJABVKF-IONNQARKSA-N -1 3 296.417 3.092 20 0 CGADHM Cc1nc(O[C@@H](C)c2cccc(N(C)C)c2)c(C)c(=O)[n-]1 ZINC001229686531 932470021 /nfs/dbraw/zinc/47/00/21/932470021.db2.gz SIUBDMCQMMSQMN-NSHDSACASA-N -1 3 287.363 3.005 20 0 CGADHM CC(C)CC[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC001229954716 932509495 /nfs/dbraw/zinc/50/94/95/932509495.db2.gz NPWZWOSDHRKYTJ-NSHDSACASA-N -1 3 260.341 3.070 20 0 CGADHM CC(C)CC[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC001229954716 932509501 /nfs/dbraw/zinc/50/95/01/932509501.db2.gz NPWZWOSDHRKYTJ-NSHDSACASA-N -1 3 260.341 3.070 20 0 CGADHM c1ccc([C@H](Oc2ccccc2-c2nnn[n-]2)C2CC2)cc1 ZINC001229958666 932509800 /nfs/dbraw/zinc/50/98/00/932509800.db2.gz UBAVALGTCGJPAQ-INIZCTEOSA-N -1 3 292.342 3.397 20 0 CGADHM c1ccc([C@H](Oc2ccccc2-c2nn[n-]n2)C2CC2)cc1 ZINC001229958666 932509801 /nfs/dbraw/zinc/50/98/01/932509801.db2.gz UBAVALGTCGJPAQ-INIZCTEOSA-N -1 3 292.342 3.397 20 0 CGADHM CCCC[C@H](CC)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001231072307 932670853 /nfs/dbraw/zinc/67/08/53/932670853.db2.gz BJXJEEKPKBDYAO-LBPRGKRZSA-N -1 3 260.341 3.214 20 0 CGADHM C[C@@H]1CC[C@H](Oc2ccc(-c3nn[n-]n3)cc2)C[C@@H]1C ZINC001231073561 932672973 /nfs/dbraw/zinc/67/29/73/932672973.db2.gz LPBPMCVMWPQHOX-SUNKGSAMSA-N -1 3 272.352 3.070 20 0 CGADHM CCOC(=O)c1c(Cl)[n-]c(=O)cc1O[C@H]1CC[C@@H](C)C1 ZINC001231091566 932676824 /nfs/dbraw/zinc/67/68/24/932676824.db2.gz XFRCFEIMPFEVNU-BDAKNGLRSA-N -1 3 299.754 3.185 20 0 CGADHM CCc1cccc(C(=O)N[C@@H](c2ccccn2)C2CC2)c1[O-] ZINC001303928627 932835946 /nfs/dbraw/zinc/83/59/46/932835946.db2.gz LGMBISLKSMQRPB-MRXNPFEDSA-N -1 3 296.370 3.231 20 0 CGADHM Cc1ccc(C(=O)Nc2cc(C(C)C)on2)c([O-])c1C ZINC001465491257 937701092 /nfs/dbraw/zinc/70/10/92/937701092.db2.gz OOPNOZKLHQKTGM-UHFFFAOYSA-N -1 3 274.320 3.373 20 0 CGADHM Cc1cccc([O-])c1NC(=O)c1cc(F)c(C=O)cc1F ZINC001466347649 937708514 /nfs/dbraw/zinc/70/85/14/937708514.db2.gz DXBKFLFAHGMRMU-UHFFFAOYSA-N -1 3 291.253 3.044 20 0 CGADHM CC(C)=C(C)C(=O)Nc1ccc(Br)cc1[O-] ZINC001319033851 933814092 /nfs/dbraw/zinc/81/40/92/933814092.db2.gz GWZDYDRPHRTWOL-UHFFFAOYSA-N -1 3 284.153 3.450 20 0 CGADHM O=C([N-]C1CC(F)(F)C1)C(F)(F)c1ccc(Cl)cc1 ZINC001320754088 934097902 /nfs/dbraw/zinc/09/79/02/934097902.db2.gz KDIVZWYYOVDBCW-UHFFFAOYSA-N -1 3 295.663 3.346 20 0 CGADHM Cc1ccc(CCC(=O)[N-]OCC2CCC2)cc1Cl ZINC001470291408 937750932 /nfs/dbraw/zinc/75/09/32/937750932.db2.gz QTMXVJGMONCZEO-UHFFFAOYSA-N -1 3 281.783 3.429 20 0 CGADHM CCc1cccc(C(=O)N(C)c2ccc(O)c(C)c2)c1[O-] ZINC001471035876 937760680 /nfs/dbraw/zinc/76/06/80/937760680.db2.gz HNCNPXAFNBNMDL-UHFFFAOYSA-N -1 3 285.343 3.245 20 0 CGADHM C[C@@H]1CCC[C@@H]1CC(=O)[N-]Oc1ccccc1F ZINC001471718214 937768940 /nfs/dbraw/zinc/76/89/40/937768940.db2.gz HFDVLHCYEADQBQ-GHMZBOCLSA-N -1 3 251.301 3.062 20 0 CGADHM Cc1cccc(C(=O)Nc2cnn(C3CCCC3)c2)c1[O-] ZINC001471957940 937770943 /nfs/dbraw/zinc/77/09/43/937770943.db2.gz FNPLWZBWMKUXRZ-UHFFFAOYSA-N -1 3 285.347 3.265 20 0 CGADHM CCc1cccc(C(=O)N(C)[C@@H]2CC[C@@H](SC)C2)c1[O-] ZINC001324764405 934566098 /nfs/dbraw/zinc/56/60/98/934566098.db2.gz OOIHHTCGWNIAMH-CHWSQXEVSA-N -1 3 293.432 3.311 20 0 CGADHM COC(=O)c1cnc(S[C@@H]2CCc3c2cccc3F)[n-]1 ZINC001326709649 935000587 /nfs/dbraw/zinc/00/05/87/935000587.db2.gz OMIDUYTZTJXLRM-GFCCVEGCSA-N -1 3 292.335 3.115 20 0 CGADHM Cc1cc(NC(=O)c2cc([O-])c3ccccc3c2)cc(C)n1 ZINC001329989807 935259651 /nfs/dbraw/zinc/25/96/51/935259651.db2.gz AFPRYKWHOAJVSE-UHFFFAOYSA-N -1 3 292.338 3.231 20 0 CGADHM Cc1oc(CN(C)CCc2cccc(F)c2)cc1C(=O)[O-] ZINC001334736569 936110263 /nfs/dbraw/zinc/11/02/63/936110263.db2.gz AIVFNENMMVOBDJ-UHFFFAOYSA-N -1 3 291.322 3.100 20 0 CGADHM CCc1ccc(C(=O)N2CC[C@@H]2C(C)(C)C)c([O-])c1 ZINC001337603081 936273033 /nfs/dbraw/zinc/27/30/33/936273033.db2.gz BGTATECVLDTLMX-CQSZACIVSA-N -1 3 261.365 3.215 20 0 CGADHM COc1cccc(F)c1CNCc1c(F)ccc([O-])c1F ZINC001474727574 937877661 /nfs/dbraw/zinc/87/76/61/937877661.db2.gz HDURCHUMNFLLHS-UHFFFAOYSA-N -1 3 297.276 3.108 20 0 CGADHM O=C(O[C@H]1CCCc2nccnc21)c1cc2ccsc2[n-]1 ZINC001525984297 938053167 /nfs/dbraw/zinc/05/31/67/938053167.db2.gz OYVXKYUCRWBKTQ-LBPRGKRZSA-N -1 3 299.355 3.254 20 0 CGADHM O=C(Cc1cccc([O-])c1F)NC1(C2CCCCC2)CC1 ZINC001551158499 938176897 /nfs/dbraw/zinc/17/68/97/938176897.db2.gz WBTAEEAANNFALZ-UHFFFAOYSA-N -1 3 291.366 3.303 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CCC=C(c2cccnc2)C1 ZINC001556504786 938204040 /nfs/dbraw/zinc/20/40/40/938204040.db2.gz LMIFCLYACZUHSK-UHFFFAOYSA-N -1 3 294.354 3.025 20 0 CGADHM CC(C)(C)[C@@H]1CCC[C@@H]1NC(=O)c1c([O-])cccc1O ZINC001558996051 938218768 /nfs/dbraw/zinc/21/87/68/938218768.db2.gz ZCMMRCLMKMVRKM-MNOVXSKESA-N -1 3 277.364 3.042 20 0 CGADHM O=C([O-])c1cccc(CN2CCC=C(c3cccnc3)C2)c1 ZINC001595242225 949479268 /nfs/dbraw/zinc/47/92/68/949479268.db2.gz RWWIDFUSQNCCLU-UHFFFAOYSA-N -1 3 294.354 3.069 20 0 CGADHM CCOc1cccc(Cl)c1CN(CC(=O)[O-])CC1CC1 ZINC001592993303 951379143 /nfs/dbraw/zinc/37/91/43/951379143.db2.gz HOOWUAUYEDPXFR-UHFFFAOYSA-N -1 3 297.782 3.035 20 0 CGADHM CN(c1ccc(Nc2cnc[n-]c2=O)cn1)C1CCCCC1 ZINC001212614675 957876518 /nfs/dbraw/zinc/87/65/18/957876518.db2.gz UMWNZHHPPIIIEP-UHFFFAOYSA-N -1 3 299.378 3.090 20 0 CGADHM C[C@@H](NCc1cc(C(=O)[O-])cs1)c1ccc(F)cc1 ZINC000095004357 958324703 /nfs/dbraw/zinc/32/47/03/958324703.db2.gz KYVCLDHNZVVORN-SECBINFHSA-N -1 3 279.336 3.436 20 0 CGADHM Cc1cc([C@H](NCc2ccc(F)cc2)C(=O)[O-])ccc1F ZINC000211795685 959697042 /nfs/dbraw/zinc/69/70/42/959697042.db2.gz PJBMUTMSQZHIQS-HNNXBMFYSA-N -1 3 291.297 3.189 20 0 CGADHM Cc1ccccc1CN[C@H](C)c1ccccc1OCC(=O)[O-] ZINC000226048679 959869191 /nfs/dbraw/zinc/86/91/91/959869191.db2.gz TYOWMPUIYAPDBN-CQSZACIVSA-N -1 3 299.370 3.309 20 0 CGADHM CC1(C)CC[C@H]1N[C@H](C(=O)[O-])c1c(F)cccc1Cl ZINC001593887103 960510777 /nfs/dbraw/zinc/51/07/77/960510777.db2.gz ZLYFFASYVGYDKP-PWSUYJOCSA-N -1 3 285.746 3.383 20 0 CGADHM C[C@H]1C[C@H](NCc2cc(C(=O)[O-])ccc2Cl)CS1 ZINC001594262257 960516542 /nfs/dbraw/zinc/51/65/42/960516542.db2.gz VXCFIESBWFIUND-KWQFWETISA-N -1 3 285.796 3.022 20 0 CGADHM Cc1ccc(C(=O)N[C@H](Cc2ccccc2)C2CC2)c([O-])c1 ZINC001565734346 960809451 /nfs/dbraw/zinc/80/94/51/960809451.db2.gz BATNNNVYURPCRG-QGZVFWFLSA-N -1 3 295.382 3.452 20 0 CGADHM CCc1cccc(C(=O)N[C@H]2CC(=O)c3ccccc32)c1[O-] ZINC001566957534 961069457 /nfs/dbraw/zinc/06/94/57/961069457.db2.gz UAALNAISFLTZGU-HNNXBMFYSA-N -1 3 295.338 3.012 20 0 CGADHM O=C(Nc1ccc2cc[nH]c2c1)c1[n-]cnc1C(F)(F)F ZINC001568219367 961523221 /nfs/dbraw/zinc/52/32/21/961523221.db2.gz RTGOLLIMABTXCD-UHFFFAOYSA-N -1 3 294.236 3.162 20 0 CGADHM O=C(Nc1ccc2cc[nH]c2c1)c1nc[n-]c1C(F)(F)F ZINC001568219367 961523235 /nfs/dbraw/zinc/52/32/35/961523235.db2.gz RTGOLLIMABTXCD-UHFFFAOYSA-N -1 3 294.236 3.162 20 0 CGADHM CC[C@@H]1CCCC[C@@H]1CNC(=O)c1ccc(O)cc1[O-] ZINC001569767666 961840703 /nfs/dbraw/zinc/84/07/03/961840703.db2.gz BHWPWQBTBZZOFT-VXGBXAGGSA-N -1 3 277.364 3.044 20 0 CGADHM O=C([N-]c1nocc1C1CC1)c1ccc(Br)o1 ZINC001583704203 962848428 /nfs/dbraw/zinc/84/84/28/962848428.db2.gz UPKBWVJNTFYAEG-UHFFFAOYSA-N -1 3 297.108 3.160 20 0 CGADHM CN(Cc1ccns1)C(=O)c1cc([O-])c2ccccc2c1 ZINC001584150580 962895239 /nfs/dbraw/zinc/89/52/39/962895239.db2.gz QCZPQWJYSSIGEA-UHFFFAOYSA-N -1 3 298.367 3.274 20 0 CGADHM C/C(=C\CN1CC=C(c2cccc(Cl)c2)CC1)C(=O)[O-] ZINC001588958587 963332516 /nfs/dbraw/zinc/33/25/16/963332516.db2.gz MJMCTQPNIRSPIY-LFYBBSHMSA-N -1 3 291.778 3.460 20 0 CGADHM CC(C)(C)CCCOc1ccc(-c2nn[n-]n2)cc1 ZINC001589124289 963343471 /nfs/dbraw/zinc/34/34/71/963343471.db2.gz BHXNOMFIEVKGEY-UHFFFAOYSA-N -1 3 260.341 3.072 20 0 CGADHM C[C@@H](C(=O)[O-])[C@@H](NCC=C(Cl)Cl)c1ccccc1 ZINC001589468849 963989767 /nfs/dbraw/zinc/98/97/67/963989767.db2.gz FSVFDUNOFBBRCU-BXKDBHETSA-N -1 3 288.174 3.357 20 0 CGADHM O=C([O-])c1ccccc1CNCc1ccc(Cl)cc1 ZINC000076271675 967562049 /nfs/dbraw/zinc/56/20/49/967562049.db2.gz CHMUZKSUMMFZAU-UHFFFAOYSA-N -1 3 275.735 3.328 20 0 CGADHM Cc1cccc([C@H](NCc2ccc(C)c(F)c2)C(=O)[O-])c1 ZINC001605330217 973206949 /nfs/dbraw/zinc/20/69/49/973206949.db2.gz PFIFHGUDOOPJCL-INIZCTEOSA-N -1 3 287.334 3.358 20 0 CGADHM CC[C@@H](C)[C@@H](C)N1CCc2c(C(=O)[O-])ccc(OC)c2C1 ZINC001594882827 982251253 /nfs/dbraw/zinc/25/12/53/982251253.db2.gz ZMAAUQPWDOXVEE-VXGBXAGGSA-N -1 3 291.391 3.186 20 0 CGADHM CCCN(Cc1ccc(C(=O)[O-])n1C)Cc1ccccc1 ZINC001595899199 982948802 /nfs/dbraw/zinc/94/88/02/982948802.db2.gz IQGMKFSQUQOVBZ-UHFFFAOYSA-N -1 3 286.375 3.136 20 0 CGADHM CCCc1nc(CN[C@]2(C)CCCC[C@@H]2C(=O)[O-])cs1 ZINC001596089929 983414893 /nfs/dbraw/zinc/41/48/93/983414893.db2.gz QXABAKBRKLITKW-IUODEOHRSA-N -1 3 296.436 3.219 20 0 CGADHM CCOc1ccc(Cl)cc1CN1CC[C@H](C(=O)[O-])[C@H]1C ZINC001597106313 986747936 /nfs/dbraw/zinc/74/79/36/986747936.db2.gz NNMTYIOVBAUXQG-MFKMUULPSA-N -1 3 297.782 3.034 20 0 CGADHM CSc1ccccc1[C@H](C)NCc1ccc(C(=O)[O-])[nH]1 ZINC001599826117 988600571 /nfs/dbraw/zinc/60/05/71/988600571.db2.gz WTBMFOJESZOSBQ-JTQLQIEISA-N -1 3 290.388 3.286 20 0 CGADHM CCc1oc(C(=O)[O-])cc1CN1CCC2(CC2(F)F)CC1 ZINC001597763567 989206340 /nfs/dbraw/zinc/20/63/40/989206340.db2.gz ZDVFWGWNYDKQNE-UHFFFAOYSA-N -1 3 299.317 3.161 20 0 CGADHM CC(C)[C@@H](C)N([C@@H](C)c1ncc(C(=O)[O-])s1)C1CC1 ZINC001590974247 991106214 /nfs/dbraw/zinc/10/62/14/991106214.db2.gz CFAMBJIXVWIAFX-ZJUUUORDSA-N -1 3 282.409 3.411 20 0 CGADHM CC(C)[C@H](C)N([C@@H](C)c1ncc(C(=O)[O-])s1)C1CC1 ZINC001590974245 991106443 /nfs/dbraw/zinc/10/64/43/991106443.db2.gz CFAMBJIXVWIAFX-UWVGGRQHSA-N -1 3 282.409 3.411 20 0 CGADHM CC(C)[C@H](NCc1ccc(C(=O)[O-])[nH]1)c1ccccc1F ZINC001591030052 991329649 /nfs/dbraw/zinc/32/96/49/991329649.db2.gz BSRALEVEGJCLNG-HNNXBMFYSA-N -1 3 290.338 3.339 20 0 CGADHM CN(Cc1cc2cnccc2o1)Cc1ccc(C(=O)[O-])cc1 ZINC001598513872 992596814 /nfs/dbraw/zinc/59/68/14/992596814.db2.gz FJPBZSQXXKHXOH-UHFFFAOYSA-N -1 3 296.326 3.158 20 0 CGADHM CO[C@@H]1CCN(Cc2cc(C(=O)[O-])ccc2Cl)[C@@H](C)C1 ZINC001599123399 997786409 /nfs/dbraw/zinc/78/64/09/997786409.db2.gz KZHOYWJEXDPTRP-GXFFZTMASA-N -1 3 297.782 3.038 20 0 CGADHM C[C@H](NC(=O)c1cccc([O-])c1)c1ccc2c(c1)CCCO2 ZINC000621180226 349466594 /nfs/dbraw/zinc/46/65/94/349466594.db2.gz HBZVFCKFRQUKHZ-LBPRGKRZSA-N -1 3 297.354 3.208 20 0 CGADHM CC(C)(CNC(=O)c1ccccc1[O-])CC(F)(F)F ZINC000621229677 349478217 /nfs/dbraw/zinc/47/82/17/349478217.db2.gz CJVPOQHHCZNDCE-UHFFFAOYSA-N -1 3 275.270 3.101 20 0 CGADHM Cc1ccc(NC(=O)C2CCC(C(C)(C)O)CC2)c([O-])c1 ZINC000650999114 398191975 /nfs/dbraw/zinc/19/19/75/398191975.db2.gz TZHDQSJKZMSJPM-UHFFFAOYSA-N -1 3 291.391 3.216 20 0 CGADHM COc1cc(C(=O)[N-]c2nc(C(C)(C)C)cs2)sn1 ZINC000621407403 349522097 /nfs/dbraw/zinc/52/20/97/349522097.db2.gz ZUPLPVJVFKGALL-UHFFFAOYSA-N -1 3 297.405 3.158 20 0 CGADHM Cc1ccc(NC(=O)C[C@@H]2CCO[C@@H](C(C)C)C2)c([O-])c1 ZINC000273073125 192036999 /nfs/dbraw/zinc/03/69/99/192036999.db2.gz FZPAKNQAVUPMOQ-CZUORRHYSA-N -1 3 291.391 3.480 20 0 CGADHM Cc1cccc([O-])c1NC(=O)C[C@H]1CCO[C@H](C(C)C)C1 ZINC000273073366 192037515 /nfs/dbraw/zinc/03/75/15/192037515.db2.gz FVSLEQJJTJTJCR-ZFWWWQNUSA-N -1 3 291.391 3.480 20 0 CGADHM O=C(Nc1cccc([O-])c1F)[C@H]1C[C@H]1C1CCCC1 ZINC000651602078 398257839 /nfs/dbraw/zinc/25/78/39/398257839.db2.gz BFMPAPFJZFRAOJ-QWRGUYRKSA-N -1 3 263.312 3.296 20 0 CGADHM C[C@H]1CCC[C@H]1NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621857159 349597404 /nfs/dbraw/zinc/59/74/04/349597404.db2.gz RSLYXJPVJGUQFL-QPUJVOFHSA-N -1 3 287.281 3.329 20 0 CGADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1CC[C@@H]2CCC[C@@H]21 ZINC000621962508 349613903 /nfs/dbraw/zinc/61/39/03/349613903.db2.gz PYWIEMQLFKYSPC-ZANVPECISA-N -1 3 299.292 3.426 20 0 CGADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1CCC[C@@H]2C[C@@H]21 ZINC000622047391 349623420 /nfs/dbraw/zinc/62/34/20/349623420.db2.gz SBKAEJNEKIFECR-PELKAZGASA-N -1 3 285.265 3.036 20 0 CGADHM Cc1ncc(CN[C@H]2C[C@@H](C(C)C)c3ccccc32)c(=O)[n-]1 ZINC000447596208 282157366 /nfs/dbraw/zinc/15/73/66/282157366.db2.gz BWCNROMWCOAFJQ-IRXDYDNUSA-N -1 3 297.402 3.465 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)C1[C@H]2CCCCCC[C@H]12 ZINC000622122614 349632002 /nfs/dbraw/zinc/63/20/02/349632002.db2.gz PTWVYEHLXQZVIK-STQMWFEESA-N -1 3 289.423 3.418 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)c1c(F)cc(C)cc1F ZINC000622122338 349632044 /nfs/dbraw/zinc/63/20/44/349632044.db2.gz HHEYJEXCWCJLPG-UHFFFAOYSA-N -1 3 293.317 3.102 20 0 CGADHM CCN(c1ccc(C(=O)Nc2ccccc2[O-])cn1)C(C)C ZINC000338038095 214373459 /nfs/dbraw/zinc/37/34/59/214373459.db2.gz GEHZBKFYQYPZDP-UHFFFAOYSA-N -1 3 299.374 3.274 20 0 CGADHM CC[C@@H](C)[C@H]([N-]C(=O)CC(F)(F)F)C(F)(F)F ZINC000436181024 529418129 /nfs/dbraw/zinc/41/81/29/529418129.db2.gz NFNPACGOLBJRMI-VDTYLAMSSA-N -1 3 265.197 3.032 20 0 CGADHM CC12CC(C1)CN2C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622187066 349643763 /nfs/dbraw/zinc/64/37/63/349643763.db2.gz BELVJIFMWWDQRE-UHFFFAOYSA-N -1 3 285.265 3.036 20 0 CGADHM CCc1cc(=O)[n-]c(CSCc2ccc(Cl)nc2)n1 ZINC000125664281 187195533 /nfs/dbraw/zinc/19/55/33/187195533.db2.gz ZHQKONDCNCPKCI-UHFFFAOYSA-N -1 3 295.795 3.226 20 0 CGADHM CC(=O)c1cccc(NC(=O)[C@H]2C[C@@H]2C2CCCC2)c1[O-] ZINC000652166767 398326334 /nfs/dbraw/zinc/32/63/34/398326334.db2.gz BMIPKVSLCYSXNL-KGLIPLIRSA-N -1 3 287.359 3.360 20 0 CGADHM CC1CC(CNC(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000622238397 349655362 /nfs/dbraw/zinc/65/53/62/349655362.db2.gz OMABHQSRHSCSFR-UHFFFAOYSA-N -1 3 279.355 3.016 20 0 CGADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CC(CC2CC2)C1 ZINC000622250788 349661392 /nfs/dbraw/zinc/66/13/92/349661392.db2.gz YSAUKZKWMYUHJH-UHFFFAOYSA-N -1 3 285.387 3.143 20 0 CGADHM COc1ccc([C@H](C)N(C)Cc2nc(C)ccc2[O-])cc1 ZINC000125803049 187200902 /nfs/dbraw/zinc/20/09/02/187200902.db2.gz DNCMNYOUDMGXIR-ZDUSSCGKSA-N -1 3 286.375 3.297 20 0 CGADHM CCc1ccc(C(=O)Nc2cccc3c2CCO3)c([O-])c1 ZINC000622572835 349686997 /nfs/dbraw/zinc/68/69/97/349686997.db2.gz XWCSEKRWFXQFEZ-UHFFFAOYSA-N -1 3 283.327 3.142 20 0 CGADHM Cc1ccc(NC(=O)c2cc([O-])cc(C(F)(F)F)c2)cn1 ZINC000622451485 349680016 /nfs/dbraw/zinc/68/00/16/349680016.db2.gz ISUOJWGUHJYQPD-UHFFFAOYSA-N -1 3 296.248 3.367 20 0 CGADHM Cc1ccc(CN(C)C(=O)c2ccccc2[O-])cc1C ZINC000622670730 349692822 /nfs/dbraw/zinc/69/28/22/349692822.db2.gz HMGRIXPKEUXSLE-UHFFFAOYSA-N -1 3 269.344 3.281 20 0 CGADHM CC[C@@](C)(OC)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000359709933 529514362 /nfs/dbraw/zinc/51/43/62/529514362.db2.gz HDEBOBGNZILDLI-GFCCVEGCSA-N -1 3 291.269 3.165 20 0 CGADHM CCc1cc(C(=O)N2C[C@H](C)C[C@@H]2CC)ccc1[O-] ZINC000436700547 529515595 /nfs/dbraw/zinc/51/55/95/529515595.db2.gz WBTRPBNGFWSJKV-RISCZKNCSA-N -1 3 261.365 3.215 20 0 CGADHM CCc1cc(C(=O)Nc2cccc3[nH]c(=O)oc32)ccc1[O-] ZINC000426811486 529521433 /nfs/dbraw/zinc/52/14/33/529521433.db2.gz UGMVKCSWNDWJMV-UHFFFAOYSA-N -1 3 298.298 3.054 20 0 CGADHM CCc1ccc(C(=O)N(C)[C@H](C)C2CCC2)c([O-])c1 ZINC000436842618 529593505 /nfs/dbraw/zinc/59/35/05/529593505.db2.gz XLPKDIACJHNIST-LLVKDONJSA-N -1 3 261.365 3.215 20 0 CGADHM CCc1ccc(C(=O)N(CC)C[C@H](C)CC)c([O-])c1 ZINC000436831411 529593654 /nfs/dbraw/zinc/59/36/54/529593654.db2.gz PGEVBHUXHFRYNL-GFCCVEGCSA-N -1 3 263.381 3.463 20 0 CGADHM CCc1ccc(C(=O)N[C@H](CC)c2ccncc2)c([O-])c1 ZINC000191758351 529608498 /nfs/dbraw/zinc/60/84/98/529608498.db2.gz QDOJCKGCBOJGBR-OAHLLOKOSA-N -1 3 284.359 3.231 20 0 CGADHM CCc1ccc(C(=O)N2CCC[C@@H](C)[C@@H]2C)c([O-])c1 ZINC000191773319 529595877 /nfs/dbraw/zinc/59/58/77/529595877.db2.gz YZGQJLHBONMZCX-NEPJUHHUSA-N -1 3 261.365 3.215 20 0 CGADHM CCc1cnccc1-c1noc(-c2cc(C)ccc2[O-])n1 ZINC000165310939 529668810 /nfs/dbraw/zinc/66/88/10/529668810.db2.gz IKBBXQVIFXTSFA-UHFFFAOYSA-N -1 3 281.315 3.375 20 0 CGADHM CC(C)(CNC(=O)c1cccc([O-])c1)c1cccs1 ZINC000126297394 187230381 /nfs/dbraw/zinc/23/03/81/187230381.db2.gz NAJKRCOKMPBNNZ-UHFFFAOYSA-N -1 3 275.373 3.161 20 0 CGADHM CCc1ccc(NC(=O)c2c([O-])cccc2O)cc1F ZINC000436649930 529686467 /nfs/dbraw/zinc/68/64/67/529686467.db2.gz WTRFHAKYRQPANX-UHFFFAOYSA-N -1 3 275.279 3.052 20 0 CGADHM CCc1csc(NC(=O)c2ccc(C)c(C)c2[O-])n1 ZINC000436566817 529690975 /nfs/dbraw/zinc/69/09/75/529690975.db2.gz MWRYZEIHRRLSSI-UHFFFAOYSA-N -1 3 276.361 3.280 20 0 CGADHM O=C(Nc1ccccc1[O-])c1cccnc1N1CCCCC1 ZINC000127477544 136385795 /nfs/dbraw/zinc/38/57/95/136385795.db2.gz PAODOCJUDLXZAT-UHFFFAOYSA-N -1 3 297.358 3.030 20 0 CGADHM Cc1cccc([O-])c1NC(=O)[C@@H]1CCCCC1(F)F ZINC000295000510 199292965 /nfs/dbraw/zinc/29/29/65/199292965.db2.gz RTRFQOOEZSJUNF-JTQLQIEISA-N -1 3 269.291 3.465 20 0 CGADHM CCOCc1ccccc1CNC(=O)c1ccc(C)cc1[O-] ZINC000031367548 344926089 /nfs/dbraw/zinc/92/60/89/344926089.db2.gz MRDYHJDXIQWESX-UHFFFAOYSA-N -1 3 299.370 3.167 20 0 CGADHM CCOc1ccc(NC(=O)c2cc(-c3ccco3)[n-]n2)cc1 ZINC000028266456 344913558 /nfs/dbraw/zinc/91/35/58/344913558.db2.gz FRLPDZKMBCSPFW-UHFFFAOYSA-N -1 3 297.314 3.321 20 0 CGADHM CCOc1ccc(NC(=O)c2cc(-c3ccco3)n[n-]2)cc1 ZINC000028266456 344913560 /nfs/dbraw/zinc/91/35/60/344913560.db2.gz FRLPDZKMBCSPFW-UHFFFAOYSA-N -1 3 297.314 3.321 20 0 CGADHM CCC(CC)(CNCc1ncc(C(C)(C)C)s1)C(=O)[O-] ZINC000263045054 534984387 /nfs/dbraw/zinc/98/43/87/534984387.db2.gz JSSSPWNTGWNXNV-UHFFFAOYSA-N -1 3 298.452 3.421 20 0 CGADHM O=C([O-])[C@H]1CC12CCN(Cc1ccc(Cl)cc1)CC2 ZINC000049876342 345075745 /nfs/dbraw/zinc/07/57/45/345075745.db2.gz QURMFGBGOCRFFB-CYBMUJFWSA-N -1 3 279.767 3.027 20 0 CGADHM Cc1nc2cc(NC(=O)c3ccc(C)cc3[O-])ccc2[nH]1 ZINC000055551849 345151993 /nfs/dbraw/zinc/15/19/93/345151993.db2.gz CCGXAROSFYLKGH-UHFFFAOYSA-N -1 3 281.315 3.138 20 0 CGADHM Cc1nc2ccc(NC(=O)c3ccc(C)cc3[O-])cc2[nH]1 ZINC000055551849 345151994 /nfs/dbraw/zinc/15/19/94/345151994.db2.gz CCGXAROSFYLKGH-UHFFFAOYSA-N -1 3 281.315 3.138 20 0 CGADHM CCCCN(Cc1ccc(C(=O)[O-])cc1F)C1CC1 ZINC000062753990 345240347 /nfs/dbraw/zinc/24/03/47/345240347.db2.gz DJRWIZXYQLXYLT-UHFFFAOYSA-N -1 3 265.328 3.288 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])c1ccc2c(c1)COC2 ZINC000064657142 345264028 /nfs/dbraw/zinc/26/40/28/345264028.db2.gz OWDBEDFSLCEZCX-UHFFFAOYSA-N -1 3 289.718 3.328 20 0 CGADHM Cc1ccc(C(=O)Nc2cnc(C(C)(C)C)nc2)c([O-])c1 ZINC000064823590 345264950 /nfs/dbraw/zinc/26/49/50/345264950.db2.gz HENDAOZZULSWDX-UHFFFAOYSA-N -1 3 285.347 3.040 20 0 CGADHM Cc1occc1-c1noc(-c2ccc(C)cc2[O-])n1 ZINC000165730093 232261948 /nfs/dbraw/zinc/26/19/48/232261948.db2.gz JHPWJIFKALCPMB-UHFFFAOYSA-N -1 3 256.261 3.319 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2cc3n[nH]cc3cc2C)c1 ZINC000094101136 345895523 /nfs/dbraw/zinc/89/55/23/345895523.db2.gz AWULNXHYPCXIDJ-UHFFFAOYSA-N -1 3 281.315 3.138 20 0 CGADHM CC[C@@H]1c2ccccc2CCN1C(=O)c1ccc(O)cc1[O-] ZINC000114303804 345963884 /nfs/dbraw/zinc/96/38/84/345963884.db2.gz CLPUBFOISSXAEJ-MRXNPFEDSA-N -1 3 297.354 3.247 20 0 CGADHM Clc1ccc(CNc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000115662680 345972662 /nfs/dbraw/zinc/97/26/62/345972662.db2.gz GKCYRDSBYILKIF-UHFFFAOYSA-N -1 3 285.738 3.132 20 0 CGADHM Clc1ccc(CNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000115662680 345972665 /nfs/dbraw/zinc/97/26/65/345972665.db2.gz GKCYRDSBYILKIF-UHFFFAOYSA-N -1 3 285.738 3.132 20 0 CGADHM C[C@H](Cc1ccccc1F)C(=O)Nc1ccccc1[O-] ZINC000130262020 346056137 /nfs/dbraw/zinc/05/61/37/346056137.db2.gz MKDZBFXMWRGJMX-LLVKDONJSA-N -1 3 273.307 3.349 20 0 CGADHM Cc1noc(Cl)c1CCC(=O)Nc1ccc(C)cc1[O-] ZINC000139607810 346101144 /nfs/dbraw/zinc/10/11/44/346101144.db2.gz AXXIOERVHIGLLA-UHFFFAOYSA-N -1 3 294.738 3.222 20 0 CGADHM Cc1ccc([C@H](NCCC(=O)[O-])c2ccccc2)cc1 ZINC000143611809 346114805 /nfs/dbraw/zinc/11/48/05/346114805.db2.gz MSIVLBQGRMCLMM-QGZVFWFLSA-N -1 3 269.344 3.149 20 0 CGADHM [O-]c1ccc(F)c(CN2CCC(OCC3CC3)CC2)c1F ZINC000351672690 219171909 /nfs/dbraw/zinc/17/19/09/219171909.db2.gz NAXMTCOJUIICDA-UHFFFAOYSA-N -1 3 297.345 3.061 20 0 CGADHM O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1ccc(F)c(Cl)c1 ZINC000229239698 346316296 /nfs/dbraw/zinc/31/62/96/346316296.db2.gz JEJCALRHEKSMET-SUNKGSAMSA-N -1 3 297.757 3.164 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N2CC[C@@H](Cc3ccccc3)C2)n1 ZINC000248762382 346378770 /nfs/dbraw/zinc/37/87/70/346378770.db2.gz QZBQCDAVEIZNBS-HOCLYGCPSA-N -1 3 297.402 3.116 20 0 CGADHM O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1ccc(F)c(Cl)c1 ZINC000300127891 346436056 /nfs/dbraw/zinc/43/60/56/346436056.db2.gz JEJCALRHEKSMET-WDMOLILDSA-N -1 3 297.757 3.164 20 0 CGADHM Cc1ccc(CN2Cc3ccccc3C[C@@H]2C(=O)[O-])cc1F ZINC000315812494 346484307 /nfs/dbraw/zinc/48/43/07/346484307.db2.gz DOCYEIPUOZHXIY-QGZVFWFLSA-N -1 3 299.345 3.146 20 0 CGADHM C[C@H](c1ccccc1)N(C)CCOc1cccc(C(=O)[O-])c1 ZINC000383571840 346562532 /nfs/dbraw/zinc/56/25/32/346562532.db2.gz CXFQREJMZHDCOX-CQSZACIVSA-N -1 3 299.370 3.457 20 0 CGADHM Cc1ccc(CN2CCC3(C[C@@H]3C(=O)[O-])CC2)c(Cl)c1 ZINC000405369280 346603156 /nfs/dbraw/zinc/60/31/56/346603156.db2.gz NTINEUGDTIVUQW-CYBMUJFWSA-N -1 3 293.794 3.335 20 0 CGADHM CC(C)[C@@H]1CN(Cc2c(F)ccc([O-])c2F)CCS1 ZINC000351755333 219197725 /nfs/dbraw/zinc/19/77/25/219197725.db2.gz FRMMUDWLLCIVOI-ZDUSSCGKSA-N -1 3 287.375 3.244 20 0 CGADHM Cc1ccc2nc(C(=O)Nc3nc(C)ccc3[O-])ccc2c1 ZINC000351773139 219201496 /nfs/dbraw/zinc/20/14/96/219201496.db2.gz CLSIDZJMGTVOPV-UHFFFAOYSA-N -1 3 293.326 3.205 20 0 CGADHM CC[C@@H]1CN(C(=O)c2cc(SC)ccc2[O-])CCS1 ZINC000611632025 348464721 /nfs/dbraw/zinc/46/47/21/348464721.db2.gz HJTZVNGCAHSEMS-SNVBAGLBSA-N -1 3 297.445 3.082 20 0 CGADHM C[C@@H](CC(=O)Nc1cc(Cl)ccc1[O-])[C@H]1CCCO1 ZINC000612754322 348543815 /nfs/dbraw/zinc/54/38/15/348543815.db2.gz IKSVTLUVHMIEQR-TVQRCGJNSA-N -1 3 283.755 3.189 20 0 CGADHM O=C(Nc1ccc([O-])cc1F)C1CCC2(CC2)CC1 ZINC000613332294 348591587 /nfs/dbraw/zinc/59/15/87/348591587.db2.gz UPACKFCOXGXROM-UHFFFAOYSA-N -1 3 263.312 3.440 20 0 CGADHM CCC1(C(=O)Nc2ncccc2[O-])CCC(F)(F)CC1 ZINC000613427605 348601495 /nfs/dbraw/zinc/60/14/95/348601495.db2.gz VAWPDZKQQKDPBZ-UHFFFAOYSA-N -1 3 284.306 3.331 20 0 CGADHM CO[C@@H]1CC[C@H](C(=O)Nc2cc(Cl)cc(C)c2[O-])C1 ZINC000613035021 348560495 /nfs/dbraw/zinc/56/04/95/348560495.db2.gz IVDBPFOZOOCAIF-GXSJLCMTSA-N -1 3 283.755 3.108 20 0 CGADHM CCCCCc1cc(C(=O)Nc2cccc([O-])c2F)n[nH]1 ZINC000613110665 348564705 /nfs/dbraw/zinc/56/47/05/348564705.db2.gz SNZDHTNWTBSXTH-UHFFFAOYSA-N -1 3 291.326 3.239 20 0 CGADHM Cc1csc([C@@H](C)C(=O)Nc2c(C)cccc2[O-])n1 ZINC000613208654 348575309 /nfs/dbraw/zinc/57/53/09/348575309.db2.gz WTEVEJNVOHSBSG-JTQLQIEISA-N -1 3 276.361 3.208 20 0 CGADHM CC(C)(C)O[C@@H]1C[C@H]1C(=O)Nc1c([O-])cccc1Cl ZINC000615322422 348731976 /nfs/dbraw/zinc/73/19/76/348731976.db2.gz SFZPTTCLPULTCK-LDYMZIIASA-N -1 3 283.755 3.188 20 0 CGADHM C[C@]1(C(=O)NCc2ccc([O-])c3ncccc23)CC=CCC1 ZINC000616020791 348781796 /nfs/dbraw/zinc/78/17/96/348781796.db2.gz QQUXTIVFTIOWOK-SFHVURJKSA-N -1 3 296.370 3.303 20 0 CGADHM O=C(NCc1ccc([O-])c2ncccc12)C1=CCCCC1 ZINC000616024012 348782539 /nfs/dbraw/zinc/78/25/39/348782539.db2.gz XZHQGSSKOCJESA-UHFFFAOYSA-N -1 3 282.343 3.057 20 0 CGADHM CSc1ccc([O-])c(C(=O)NC[C@H](C)CC(F)F)c1 ZINC000616457935 348821477 /nfs/dbraw/zinc/82/14/77/348821477.db2.gz ALIHVKYRHQSTNR-MRVPVSSYSA-N -1 3 289.347 3.135 20 0 CGADHM Cc1noc(C)c1[C@H](C)C(=O)Nc1ccc([O-])cc1Cl ZINC000616942062 348885862 /nfs/dbraw/zinc/88/58/62/348885862.db2.gz OVMOJFOHSGCLNN-ZETCQYMHSA-N -1 3 294.738 3.393 20 0 CGADHM CC(C)(C)O[C@@H]1C[C@H]1C(=O)Nc1ccc([O-])cc1Cl ZINC000616942916 348885868 /nfs/dbraw/zinc/88/58/68/348885868.db2.gz ILDNWKTYIQQEJF-BXKDBHETSA-N -1 3 283.755 3.188 20 0 CGADHM O=C(Nc1ccc([O-])cc1Cl)[C@@]12C[C@@H]1CCC2 ZINC000616942769 348885896 /nfs/dbraw/zinc/88/58/96/348885896.db2.gz CDYKJZLFMGGGMN-SDBXPKJASA-N -1 3 251.713 3.174 20 0 CGADHM CCc1cc(C(=O)N[C@@H]2CCc3ccccc32)ccc1[O-] ZINC000618373652 349072958 /nfs/dbraw/zinc/07/29/58/349072958.db2.gz NBKUWPDHSDCWJX-MRXNPFEDSA-N -1 3 281.355 3.372 20 0 CGADHM Cc1ccc(C(=O)NCC[C@@]2(C)CC2(F)F)c([O-])c1C ZINC000618633316 349131094 /nfs/dbraw/zinc/13/10/94/349131094.db2.gz IAYFNIPZUVMTRQ-AWEZNQCLSA-N -1 3 283.318 3.174 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2nc(-c3ccccc3)c[nH]2)n1 ZINC000352035406 219296386 /nfs/dbraw/zinc/29/63/86/219296386.db2.gz QKPHZDBNTNPQEO-FPLPWBNLSA-N -1 3 278.315 3.051 20 0 CGADHM O=C(c1cccc([O-])c1)N1CCC[C@H](C2CCC2)C1 ZINC000620216912 349341962 /nfs/dbraw/zinc/34/19/62/349341962.db2.gz FYQDASANLDKCSN-AWEZNQCLSA-N -1 3 259.349 3.045 20 0 CGADHM C[C@H](CC(=O)Nc1nnc(C(F)(F)F)[n-]1)CC(C)(C)C ZINC000620446114 349373403 /nfs/dbraw/zinc/37/34/03/349373403.db2.gz RGMHBQUZIXAZIU-SSDOTTSWSA-N -1 3 292.305 3.224 20 0 CGADHM C[C@H](CC(=O)Nc1nc(C(F)(F)F)n[n-]1)CC(C)(C)C ZINC000620446114 349373407 /nfs/dbraw/zinc/37/34/07/349373407.db2.gz RGMHBQUZIXAZIU-SSDOTTSWSA-N -1 3 292.305 3.224 20 0 CGADHM Cc1ccc(-c2nc(-c3coc(C4CC4)n3)no2)c([O-])c1 ZINC000624715334 350088932 /nfs/dbraw/zinc/08/89/32/350088932.db2.gz QYYBOSYFMFWDAO-UHFFFAOYSA-N -1 3 283.287 3.283 20 0 CGADHM [O-]c1ccc(Cl)c(CN2CCC(c3c[nH]cn3)CC2)c1 ZINC000625261069 350148601 /nfs/dbraw/zinc/14/86/01/350148601.db2.gz PQMSIOLPXOMRRN-UHFFFAOYSA-N -1 3 291.782 3.148 20 0 CGADHM CC[C@H](NC(=O)c1c(C)cccc1[O-])c1nc(C)cs1 ZINC000625290287 350153163 /nfs/dbraw/zinc/15/31/63/350153163.db2.gz GZDYZZOHZVWOBG-NSHDSACASA-N -1 3 290.388 3.347 20 0 CGADHM COC1(C)CCN(Cc2cc([O-])ccc2Cl)CC1 ZINC000625298149 350154923 /nfs/dbraw/zinc/15/49/23/350154923.db2.gz QCWZGGVUDPWLKD-UHFFFAOYSA-N -1 3 269.772 3.047 20 0 CGADHM O=C(Nc1ncc(-c2cccnc2)s1)c1cccc([O-])c1 ZINC000359359813 233305587 /nfs/dbraw/zinc/30/55/87/233305587.db2.gz LCYYZFDDGHKMFU-UHFFFAOYSA-N -1 3 297.339 3.163 20 0 CGADHM C[C@@H]1CCN(Cc2cc([O-])ccc2Cl)CCS1 ZINC000625375101 350164768 /nfs/dbraw/zinc/16/47/68/350164768.db2.gz WBRHOVDFAZJUEF-SNVBAGLBSA-N -1 3 271.813 3.373 20 0 CGADHM Cc1cccc([O-])c1NC(=O)c1ccc(OC(C)C)nc1 ZINC000271307369 191065061 /nfs/dbraw/zinc/06/50/61/191065061.db2.gz HATUNHJJYOVMEF-UHFFFAOYSA-N -1 3 286.331 3.135 20 0 CGADHM O=C([O-])CCCN1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC000625660684 350194251 /nfs/dbraw/zinc/19/42/51/350194251.db2.gz ZWZBJFZQSXJODP-GFCCVEGCSA-N -1 3 283.318 3.009 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CC[C@@H](CC(C)C)C1 ZINC000625948494 350235337 /nfs/dbraw/zinc/23/53/37/350235337.db2.gz NTOSRQRQZNDQJY-ZDUSSCGKSA-N -1 3 261.365 3.209 20 0 CGADHM Cc1cc(CN2CC[C@@H](C(=O)[O-])[C@H](C)C2)ccc1Cl ZINC000625970526 350237978 /nfs/dbraw/zinc/23/79/78/350237978.db2.gz TVCUJHRZLRDDPW-DGCLKSJQSA-N -1 3 281.783 3.191 20 0 CGADHM Cc1cccc([O-])c1NC(=O)[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000626338459 350296744 /nfs/dbraw/zinc/29/67/44/350296744.db2.gz AYUBXWOSJUEGDI-NUEKZKHPSA-N -1 3 279.339 3.225 20 0 CGADHM Cc1cccc([O-])c1C(=O)NC[C@H]1CCCC(F)(F)C1 ZINC000626908308 350345842 /nfs/dbraw/zinc/34/58/42/350345842.db2.gz ZFTLKQABDFZHAY-NSHDSACASA-N -1 3 283.318 3.256 20 0 CGADHM Cc1cccc([O-])c1C(=O)Nc1ccc([C@H]2CCOC2)cc1 ZINC000627541901 350364843 /nfs/dbraw/zinc/36/48/43/350364843.db2.gz ROTZZXWFJMLROY-AWEZNQCLSA-N -1 3 297.354 3.457 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CC2(CCC2)C[C@H]1C ZINC000626666294 350330419 /nfs/dbraw/zinc/33/04/19/350330419.db2.gz AHUJNYZZBITXDG-GFCCVEGCSA-N -1 3 259.349 3.105 20 0 CGADHM Cc1cc(=O)[n-]c(C(C)(C)N[C@@H](C)Cc2ccsc2)n1 ZINC000628375025 350519785 /nfs/dbraw/zinc/51/97/85/350519785.db2.gz UREPHZPCADROFW-NSHDSACASA-N -1 3 291.420 3.008 20 0 CGADHM Cc1ccc(C(=O)N2C[C@@H](C)C(F)(F)[C@@H](C)C2)c([O-])c1 ZINC000628396445 350525845 /nfs/dbraw/zinc/52/58/45/350525845.db2.gz IVWOVUUHLFNAGC-PHIMTYICSA-N -1 3 283.318 3.064 20 0 CGADHM O=C(CCCc1ccc([O-])c(F)c1)N(C1CC1)C1CC1 ZINC000628814911 350605556 /nfs/dbraw/zinc/60/55/56/350605556.db2.gz MSLFWBZLPADWJJ-UHFFFAOYSA-N -1 3 277.339 3.007 20 0 CGADHM CC[C@@H](C)c1cccc([N-]S(=O)(=O)C[C@@H](CC)OC)c1 ZINC000629313378 350675404 /nfs/dbraw/zinc/67/54/04/350675404.db2.gz JTLYGQSGKWZHCX-IUODEOHRSA-N -1 3 299.436 3.367 20 0 CGADHM C/C=C/C[C@@H]1CCCN(Cc2cc(C)c(C(=O)[O-])o2)C1 ZINC000629375826 350683207 /nfs/dbraw/zinc/68/32/07/350683207.db2.gz NFFFZRXWSROMGI-ITDFMYJTSA-N -1 3 277.364 3.464 20 0 CGADHM C/C=C/C[C@H]1CCCN(C(=O)c2ccc([O-])c(OC)c2)C1 ZINC000629874198 350782082 /nfs/dbraw/zinc/78/20/82/350782082.db2.gz SLXQUTQCDSRBAF-OOPCZODUSA-N -1 3 289.375 3.219 20 0 CGADHM CCN(C(=O)c1ccc(C)c(C)c1[O-])c1nc(C)cs1 ZINC000271410722 191122955 /nfs/dbraw/zinc/12/29/55/191122955.db2.gz PGKNMUIIKPDBBA-UHFFFAOYSA-N -1 3 290.388 3.441 20 0 CGADHM O=C([O-])C[C@@H](CNCc1cccc(F)c1F)C1CCCC1 ZINC000630470829 350845478 /nfs/dbraw/zinc/84/54/78/350845478.db2.gz LRKFPQWRSLTHKU-ZDUSSCGKSA-N -1 3 297.345 3.336 20 0 CGADHM Cc1cc(F)c(CN[C@H]2CC[C@H](C(=O)[O-])CC2)c(F)c1 ZINC000630477705 350846946 /nfs/dbraw/zinc/84/69/46/350846946.db2.gz YVIRWAUIBUBOTL-XYPYZODXSA-N -1 3 283.318 3.006 20 0 CGADHM O=C([N-]c1nnc(C2CC2)s1)c1cscc1Cl ZINC000630774378 350885554 /nfs/dbraw/zinc/88/55/54/350885554.db2.gz ITFYGYUDMPQZRJ-UHFFFAOYSA-N -1 3 285.781 3.383 20 0 CGADHM CSc1cc(C(=O)[N-]c2nnc(CC(C)C)s2)co1 ZINC000630799320 350889800 /nfs/dbraw/zinc/88/98/00/350889800.db2.gz HVTOXFBBKLUJLP-UHFFFAOYSA-N -1 3 297.405 3.304 20 0 CGADHM O=C(Nc1ccccc1[O-])c1cc[nH]c1C1CCC1 ZINC000336517225 213395003 /nfs/dbraw/zinc/39/50/03/213395003.db2.gz LHPUFJXZHADWHY-UHFFFAOYSA-N -1 3 256.305 3.240 20 0 CGADHM CCOc1cc(-c2noc(C(C)(C)OCC)n2)ccc1[O-] ZINC000632112218 351168707 /nfs/dbraw/zinc/16/87/07/351168707.db2.gz QJGSGWKAKLHUCQ-UHFFFAOYSA-N -1 3 292.335 3.113 20 0 CGADHM C[C@@H](C(=O)N1CC[C@@H](C)c2cccc([O-])c21)c1ccncc1 ZINC000632506851 351201984 /nfs/dbraw/zinc/20/19/84/351201984.db2.gz LCUPQZUFEPKECO-CHWSQXEVSA-N -1 3 296.370 3.431 20 0 CGADHM CC[C@@H](CC(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1)C(C)(C)C ZINC000633602894 351330316 /nfs/dbraw/zinc/33/03/16/351330316.db2.gz PJPJLXCQMGAIED-AAEUAGOBSA-N -1 3 293.411 3.084 20 0 CGADHM CCc1c(=O)n(Cc2cccnc2)[n-]c1-c1cccc(C)c1 ZINC000634591629 351529079 /nfs/dbraw/zinc/52/90/79/351529079.db2.gz JBYIHTNPNDCLHR-MRXNPFEDSA-N -1 3 293.370 3.163 20 0 CGADHM CCc1[n-]n(Cc2ccc(F)cc2F)c(=O)c1C(C)C ZINC000634601528 351536575 /nfs/dbraw/zinc/53/65/75/351536575.db2.gz PGAAFJYTOYPPSM-CQSZACIVSA-N -1 3 280.318 3.345 20 0 CGADHM CCc1[n-]n(CC(F)(F)C(F)(F)F)c(=O)c1C(C)C ZINC000634604419 351538674 /nfs/dbraw/zinc/53/86/74/351538674.db2.gz FVAHYEYIANDVJM-MRVPVSSYSA-N -1 3 286.244 3.064 20 0 CGADHM CC(C)n1cc([N-]S(=O)(=O)CCC2CCCCC2)cn1 ZINC000634789034 351587458 /nfs/dbraw/zinc/58/74/58/351587458.db2.gz VCQMHSRYDMPTQJ-UHFFFAOYSA-N -1 3 299.440 3.176 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)Nc1cc(OC)c(OC)cc1C ZINC000291714921 198068287 /nfs/dbraw/zinc/06/82/87/198068287.db2.gz GTXKXRKXYYYXHK-SNVBAGLBSA-N -1 3 296.367 3.111 20 0 CGADHM COc1ccccc1C[C@H](C)CC(=O)[N-]OC/C=C/Cl ZINC000291699385 198062956 /nfs/dbraw/zinc/06/29/56/198062956.db2.gz CDXTVAMHYAFKAW-ZCRIDZFUSA-N -1 3 297.782 3.064 20 0 CGADHM CC(C)Sc1ccccc1[N-]C(=O)c1ccon1 ZINC000122180483 187020075 /nfs/dbraw/zinc/02/00/75/187020075.db2.gz DNSJMLDSCQRGHE-UHFFFAOYSA-N -1 3 262.334 3.427 20 0 CGADHM CS[C@@H]1CCCCN(C(=O)c2ccc(C)c(C)c2[O-])C1 ZINC000123175994 187075626 /nfs/dbraw/zinc/07/56/26/187075626.db2.gz BMNAKFXDXGTKNC-CYBMUJFWSA-N -1 3 293.432 3.367 20 0 CGADHM Cc1c(C(=O)Nc2cc(F)ccc2[O-])ccn1C(C)C ZINC000336485849 213358126 /nfs/dbraw/zinc/35/81/26/213358126.db2.gz VKVVSXULZPRQBH-UHFFFAOYSA-N -1 3 276.311 3.474 20 0 CGADHM CC1(C)CCCCN(C(=O)c2c[n-]c3ccccc3c2=O)C1 ZINC000336479179 213350046 /nfs/dbraw/zinc/35/00/46/213350046.db2.gz KXCNWBAQHLUYAW-UHFFFAOYSA-N -1 3 298.386 3.180 20 0 CGADHM [O-]C(=NOC1CCCC1)Nc1nc(C2CC2)cs1 ZINC000271621211 191244884 /nfs/dbraw/zinc/24/48/84/191244884.db2.gz DZDPNPCVUMGMDW-UHFFFAOYSA-N -1 3 267.354 3.016 20 0 CGADHM O=C([N-]OC1CCCC1)Nc1nc(C2CC2)cs1 ZINC000271621211 191244887 /nfs/dbraw/zinc/24/48/87/191244887.db2.gz DZDPNPCVUMGMDW-UHFFFAOYSA-N -1 3 267.354 3.016 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)C[C@@H](C)c1ccccc1OC ZINC000292176535 198192889 /nfs/dbraw/zinc/19/28/89/198192889.db2.gz MEJKPPNCNJFKSY-CHWSQXEVSA-N -1 3 279.380 3.283 20 0 CGADHM Cc1ccccc1[C@H](C)CC(=O)[N-]OCc1cccnc1 ZINC000152700496 188036798 /nfs/dbraw/zinc/03/67/98/188036798.db2.gz HIPBLPPMPLHNHA-CQSZACIVSA-N -1 3 284.359 3.132 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)Cc1coc2cc(OC)ccc12 ZINC000292390934 198271091 /nfs/dbraw/zinc/27/10/91/198271091.db2.gz ZUUWCKGDMVJGIQ-LLVKDONJSA-N -1 3 291.347 3.078 20 0 CGADHM C[C@@H](C(=O)Nc1ccc([O-])c(Cl)c1)N1[C@H](C)CC[C@H]1C ZINC000156583953 188271106 /nfs/dbraw/zinc/27/11/06/188271106.db2.gz IMEXLISATCDNGZ-MXWKQRLJSA-N -1 3 296.798 3.245 20 0 CGADHM COc1cccc(-c2nc([C@H]3CCCCS3)no2)c1[O-] ZINC000157879626 188344340 /nfs/dbraw/zinc/34/43/40/188344340.db2.gz REILYDUHXGGDES-LLVKDONJSA-N -1 3 292.360 3.409 20 0 CGADHM O=C(CCC(=O)c1ccc(Cl)cc1)[N-]OC1CCCC1 ZINC000271734614 191296102 /nfs/dbraw/zinc/29/61/02/191296102.db2.gz HKDVZJOLXVUXRW-UHFFFAOYSA-N -1 3 295.766 3.293 20 0 CGADHM Cn1ccc(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)c1 ZINC000336376065 213228979 /nfs/dbraw/zinc/22/89/79/213228979.db2.gz FXIGFMFWOKZTMX-UHFFFAOYSA-N -1 3 284.237 3.002 20 0 CGADHM CCSc1cccc(NC(=O)[N-]OCC2CC2)c1 ZINC000293482867 198652969 /nfs/dbraw/zinc/65/29/69/198652969.db2.gz YGLGECVHKWXXSC-UHFFFAOYSA-N -1 3 266.366 3.262 20 0 CGADHM C[C@@H]1CCC[C@H](N(C)C(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000172626677 188817182 /nfs/dbraw/zinc/81/71/82/188817182.db2.gz XBUNDPAWINAGMC-YPMHNXCESA-N -1 3 294.370 3.251 20 0 CGADHM Cc1cc(C(=O)N[C@@H](C(C)C)C(F)(F)F)ccc1[O-] ZINC000413991111 235321522 /nfs/dbraw/zinc/32/15/22/235321522.db2.gz VHVVTLMPEGOESV-NSHDSACASA-N -1 3 275.270 3.017 20 0 CGADHM Cc1cccc(CNC[C@@H](CC(=O)[O-])C(F)(F)F)c1C ZINC000417620846 235641618 /nfs/dbraw/zinc/64/16/18/235641618.db2.gz GTRZMVZRPLLJEO-GFCCVEGCSA-N -1 3 289.297 3.046 20 0 CGADHM O=C(Nc1cccc([O-])c1F)[C@H]1CCOc2ccccc21 ZINC000129549459 138397224 /nfs/dbraw/zinc/39/72/24/138397224.db2.gz XQMCJWHTXVZHII-NSHDSACASA-N -1 3 287.290 3.036 20 0 CGADHM Cc1nc(C)c(NC(=O)c2cc([O-])ccc2Cl)s1 ZINC000336295132 213135766 /nfs/dbraw/zinc/13/57/66/213135766.db2.gz HSRWSBCAADVQHJ-UHFFFAOYSA-N -1 3 282.752 3.371 20 0 CGADHM Cc1cc(F)c(CN[C@H](C)[C@@H](C(=O)[O-])C(C)C)c(F)c1 ZINC000424622588 236172877 /nfs/dbraw/zinc/17/28/77/236172877.db2.gz OWWISEJKNXCLAV-YGRLFVJLSA-N -1 3 285.334 3.108 20 0 CGADHM Cc1cc(F)c(CNC[C@@H](CC(=O)[O-])C(C)(C)C)c(F)c1 ZINC000424617394 236173147 /nfs/dbraw/zinc/17/31/47/236173147.db2.gz KXQCTXQLJSSCRM-LLVKDONJSA-N -1 3 299.361 3.500 20 0 CGADHM Cc1cc(F)c(CNCC2(CC(=O)[O-])CCC2)c(F)c1 ZINC000424627742 236173484 /nfs/dbraw/zinc/17/34/84/236173484.db2.gz WFMOZQGWSHGLQT-UHFFFAOYSA-N -1 3 283.318 3.008 20 0 CGADHM O=C(c1cccc([O-])c1)N1CC(C2CCCCC2)C1 ZINC000294459353 199048609 /nfs/dbraw/zinc/04/86/09/199048609.db2.gz WGRHVYBAIKVHDH-UHFFFAOYSA-N -1 3 259.349 3.045 20 0 CGADHM CSC[C@H]1CCCN(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000294524272 199071684 /nfs/dbraw/zinc/07/16/84/199071684.db2.gz FKNXXQLRSSOETA-JTQLQIEISA-N -1 3 299.823 3.261 20 0 CGADHM CCc1cc(NC(=O)c2cccc([O-])c2)ccc1F ZINC000340763231 215713052 /nfs/dbraw/zinc/71/30/52/215713052.db2.gz GXHDFWCMHGTATI-UHFFFAOYSA-N -1 3 259.280 3.346 20 0 CGADHM C[C@H](C(=O)[O-])[C@H](NCc1ccccc1F)c1ccccc1 ZINC000426754347 236311391 /nfs/dbraw/zinc/31/13/91/236311391.db2.gz PODPKUZOLCOLRQ-LRDDRELGSA-N -1 3 287.334 3.377 20 0 CGADHM CCc1cc(C(=O)N2CCC[C@@H](CSC)C2)ccc1[O-] ZINC000294594202 199100001 /nfs/dbraw/zinc/10/00/01/199100001.db2.gz IQTMOHVOIDIMJN-GFCCVEGCSA-N -1 3 293.432 3.170 20 0 CGADHM COc1cccc([C@H](CC(=O)[O-])NCc2ccccc2)c1 ZINC000426762840 236312176 /nfs/dbraw/zinc/31/21/76/236312176.db2.gz NZGKCFGKPRXSRV-INIZCTEOSA-N -1 3 285.343 3.001 20 0 CGADHM Cc1cc(CCNC(=O)c2cccc([O-])c2)ccc1Cl ZINC000428287730 236389233 /nfs/dbraw/zinc/38/92/33/236389233.db2.gz NXRUBADVUQYUAT-UHFFFAOYSA-N -1 3 289.762 3.327 20 0 CGADHM Cc1cccc([O-])c1NC(=O)[C@H]1CC12CCSCC2 ZINC000336186682 213004881 /nfs/dbraw/zinc/00/48/81/213004881.db2.gz RYOUQTQEKHLLQF-LLVKDONJSA-N -1 3 277.389 3.172 20 0 CGADHM C[C@H]1CC[C@H]1NC(=O)CCc1ccc2ccccc2c1[O-] ZINC000451726336 240349177 /nfs/dbraw/zinc/34/91/77/240349177.db2.gz SGVKCQFEOFBSSI-BLLLJJGKSA-N -1 3 283.371 3.393 20 0 CGADHM O=C([O-])C[C@@H](NCc1ccc(F)cc1)c1ccsc1 ZINC000426715776 295985624 /nfs/dbraw/zinc/98/56/24/295985624.db2.gz TWPBOAGUGUQIMQ-CYBMUJFWSA-N -1 3 279.336 3.193 20 0 CGADHM O=C(NC1CCC1)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436487380 237113666 /nfs/dbraw/zinc/11/36/66/237113666.db2.gz SOESPUXHSMUULO-UHFFFAOYSA-N -1 3 295.382 3.460 20 0 CGADHM Cc1ccccc1C(C)(C)CNC(=O)c1ccccc1[O-] ZINC000436634618 237148199 /nfs/dbraw/zinc/14/81/99/237148199.db2.gz QDDYTWBJURJJQB-UHFFFAOYSA-N -1 3 283.371 3.408 20 0 CGADHM COCCC(C)(C)NC(=O)c1ccc(C(C)C)cc1[O-] ZINC000436577530 237131374 /nfs/dbraw/zinc/13/13/74/237131374.db2.gz SMATWFLAIHIRRQ-UHFFFAOYSA-N -1 3 279.380 3.061 20 0 CGADHM Cc1cc(C(=O)N[C@@H](C)c2ccc3n[nH]cc3c2)ccc1[O-] ZINC000436696412 237162840 /nfs/dbraw/zinc/16/28/40/237162840.db2.gz GXIJMVIKUGARJD-NSHDSACASA-N -1 3 295.342 3.068 20 0 CGADHM Cc1ccc(NC(=O)c2ccnc(OC(C)C)c2)c([O-])c1 ZINC000436731590 237168912 /nfs/dbraw/zinc/16/89/12/237168912.db2.gz MNOSOOFHZPNTAT-UHFFFAOYSA-N -1 3 286.331 3.135 20 0 CGADHM CSc1cc(-c2nc(-c3ccc([O-])cc3)no2)ccn1 ZINC000436779416 237179641 /nfs/dbraw/zinc/17/96/41/237179641.db2.gz WHLNQEZDGVDILL-UHFFFAOYSA-N -1 3 285.328 3.226 20 0 CGADHM O=C(N[C@@H]1CCC[C@@H]1c1ccccc1)c1ccccc1[O-] ZINC000436843729 237193710 /nfs/dbraw/zinc/19/37/10/237193710.db2.gz JZYGSGKCCYHHFI-GDBMZVCRSA-N -1 3 281.355 3.458 20 0 CGADHM Cc1cc(C(=O)N[C@H](C)c2c(F)cccc2F)ccc1[O-] ZINC000436925336 237214108 /nfs/dbraw/zinc/21/41/08/237214108.db2.gz ZJAAAQBWDOKNII-SNVBAGLBSA-N -1 3 291.297 3.470 20 0 CGADHM Cc1ccc(C(=O)N(C)Cc2cc(F)cc(F)c2)c([O-])c1 ZINC000436999479 237232421 /nfs/dbraw/zinc/23/24/21/237232421.db2.gz FLLPVQMWWUMXAQ-UHFFFAOYSA-N -1 3 291.297 3.251 20 0 CGADHM COc1ccc([O-])c(C(=O)N([C@H](C)C(C)C)C2CC2)c1 ZINC000298318550 200392993 /nfs/dbraw/zinc/39/29/93/200392993.db2.gz RNGKKSBHILABRZ-LLVKDONJSA-N -1 3 277.364 3.050 20 0 CGADHM C[C@@H](CC(=O)Nc1ncccc1[O-])Cc1cccc(F)c1 ZINC000341894150 216141789 /nfs/dbraw/zinc/14/17/89/216141789.db2.gz WYORUAMRJWRCAN-LLVKDONJSA-N -1 3 288.322 3.134 20 0 CGADHM CC/C=C(\C)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000178298218 189104182 /nfs/dbraw/zinc/10/41/82/189104182.db2.gz NXUAYALPCYREJX-RUDMXATFSA-N -1 3 298.180 3.127 20 0 CGADHM Cc1ccc2[n-]cc(C(=O)N3C[C@H](C)CC[C@@H]3C)c(=O)c2c1 ZINC000342059966 216204234 /nfs/dbraw/zinc/20/42/34/216204234.db2.gz JQFKHAYBEDSRDS-OLZOCXBDSA-N -1 3 298.386 3.097 20 0 CGADHM O=C(Nc1ccccc1-c1cn[nH]c1)c1cccc([O-])c1 ZINC000439739946 238276110 /nfs/dbraw/zinc/27/61/10/238276110.db2.gz CGJDZUSIXSVOLE-UHFFFAOYSA-N -1 3 279.299 3.035 20 0 CGADHM CCOCc1nnc([N-]Cc2ccc(-c3ccccc3)o2)o1 ZINC000181844009 189308366 /nfs/dbraw/zinc/30/83/66/189308366.db2.gz FVGNJOSALSQSKE-UHFFFAOYSA-N -1 3 299.330 3.478 20 0 CGADHM CCO[N-]C(=O)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000183003840 189342153 /nfs/dbraw/zinc/34/21/53/189342153.db2.gz WMWDKJLNEMQSOE-UHFFFAOYSA-N -1 3 282.315 3.220 20 0 CGADHM CCO[N-]C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000182887799 189338568 /nfs/dbraw/zinc/33/85/68/189338568.db2.gz KHKXVHNMOCBTAA-UHFFFAOYSA-N -1 3 280.658 3.014 20 0 CGADHM Cc1ccc(-c2noc([N-][C@@H](C)[C@H]3CCCO3)n2)cc1 ZINC000302086707 201337562 /nfs/dbraw/zinc/33/75/62/201337562.db2.gz ZLZRLHZPLLZAKJ-WCQYABFASA-N -1 3 273.336 3.024 20 0 CGADHM CCc1cc(=O)[n-]c(CN[C@@H](c2ccccc2)C2CCC2)n1 ZINC000119953204 370725955 /nfs/dbraw/zinc/72/59/55/370725955.db2.gz KJNZVWDLVGIOHD-SFHVURJKSA-N -1 3 297.402 3.376 20 0 CGADHM CC(=O)c1cc(F)c([N-]C(=O)c2ccoc2)c(F)c1F ZINC000335659148 212377533 /nfs/dbraw/zinc/37/75/33/212377533.db2.gz BCPPIFOYKLCZKH-UHFFFAOYSA-N -1 3 283.205 3.152 20 0 CGADHM C[C@H]1CCC[C@H](NC(=O)Cc2ccc([O-])c(F)c2)CC1 ZINC000451022523 240192550 /nfs/dbraw/zinc/19/25/50/240192550.db2.gz BMGXQNVQAOCDOZ-AAEUAGOBSA-N -1 3 279.355 3.159 20 0 CGADHM CCc1cc(=O)[n-]c(CN2CC3(CCC3)[C@@H]2c2ccco2)n1 ZINC000451866541 240371709 /nfs/dbraw/zinc/37/17/09/240371709.db2.gz YQLSWTUGKWIXCT-INIZCTEOSA-N -1 3 299.374 3.065 20 0 CGADHM CC(C)[C@@H]1N(C(=O)Cc2ccc([O-])c(F)c2)CC12CCC2 ZINC000451952287 240386291 /nfs/dbraw/zinc/38/62/91/240386291.db2.gz GOOCRLJZWPVUPY-INIZCTEOSA-N -1 3 291.366 3.111 20 0 CGADHM C[C@H]1CCCC[C@@]1(C)NC(=O)NCc1ccc([O-])c(F)c1 ZINC000458406981 241898104 /nfs/dbraw/zinc/89/81/04/241898104.db2.gz FVMRJSRJLVVHML-MEDUHNTESA-N -1 3 294.370 3.299 20 0 CGADHM CC(=O)c1cccc(NC(=O)[C@@H]2CCC[C@H](F)C2)c1[O-] ZINC000335544138 212244629 /nfs/dbraw/zinc/24/46/29/212244629.db2.gz RNPROFYDVDFYKA-MNOVXSKESA-N -1 3 279.311 3.062 20 0 CGADHM C[C@@H]1c2ccccc2CN1Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459364942 242091912 /nfs/dbraw/zinc/09/19/12/242091912.db2.gz SWPLELWGVWHLMD-LLVKDONJSA-N -1 3 281.359 3.136 20 0 CGADHM C[C@@H]1C[C@H](C)[C@@H](C)N(C(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000473830687 242842207 /nfs/dbraw/zinc/84/22/07/242842207.db2.gz QHPXYSYLZWZSEP-GRYCIOLGSA-N -1 3 294.370 3.107 20 0 CGADHM CC(C)C[C@H](CCO)CN=c1[n-]cc(C(F)(F)F)s1 ZINC000477748613 243053512 /nfs/dbraw/zinc/05/35/12/243053512.db2.gz YODXDHMXVYBXJH-VIFPVBQESA-N -1 3 296.358 3.040 20 0 CGADHM C[C@@H]1CC[C@H](CNC(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000478115058 243069143 /nfs/dbraw/zinc/06/91/43/243069143.db2.gz YWGJMRVIPNGDBL-OCCSQVGLSA-N -1 3 293.382 3.406 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CCC(C)=C(C)C2)c1 ZINC000482882801 243248983 /nfs/dbraw/zinc/24/89/83/243248983.db2.gz BWJJSPINTPGINQ-UHFFFAOYSA-N -1 3 259.349 3.137 20 0 CGADHM CCc1cc(C(=O)NC[C@H](C)Oc2ccccc2)ccc1[O-] ZINC000486502476 243364718 /nfs/dbraw/zinc/36/47/18/243364718.db2.gz OTSOISRTKIINRS-ZDUSSCGKSA-N -1 3 299.370 3.152 20 0 CGADHM COc1cc(C(=O)NC[C@@H](C)c2ccc(C)cc2)ccc1[O-] ZINC000275999312 193183720 /nfs/dbraw/zinc/18/37/20/193183720.db2.gz AFECJOFNLDKSHS-CYBMUJFWSA-N -1 3 299.370 3.243 20 0 CGADHM O=C(Cc1c(F)cccc1Cl)Nc1ccccc1[O-] ZINC000016483013 368713555 /nfs/dbraw/zinc/71/35/55/368713555.db2.gz NFKINTDJOZTVHX-UHFFFAOYSA-N -1 3 279.698 3.366 20 0 CGADHM CC(C)CC[C@H](C)[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000023993799 368826099 /nfs/dbraw/zinc/82/60/99/368826099.db2.gz QZOVUSWDZDJCHQ-JTQLQIEISA-N -1 3 291.363 3.068 20 0 CGADHM CCN(CCCNC(=O)c1ccccc1[O-])c1ccccc1 ZINC000024114002 368828996 /nfs/dbraw/zinc/82/89/96/368828996.db2.gz FIUWIWMHITZYOJ-UHFFFAOYSA-N -1 3 298.386 3.039 20 0 CGADHM Cc1nc(NC(=O)c2cc(C)ccc2[O-])sc1C ZINC000029581726 368896182 /nfs/dbraw/zinc/89/61/82/368896182.db2.gz QCZJMJIQJLVUQM-UHFFFAOYSA-N -1 3 262.334 3.026 20 0 CGADHM CC(C)CCC[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000037975661 369128789 /nfs/dbraw/zinc/12/87/89/369128789.db2.gz XAZWTQLCHOGIOV-LBPRGKRZSA-N -1 3 287.400 3.319 20 0 CGADHM Cc1c(Br)ccc([O-])c1NC(=O)/C=C\C1CC1 ZINC000493091952 244095167 /nfs/dbraw/zinc/09/51/67/244095167.db2.gz ZTFFSKMSSHOCGC-DAXSKMNVSA-N -1 3 296.164 3.368 20 0 CGADHM CC(C)c1csc2[nH]c(-c3ccc([O-])cc3)nc(=O)c12 ZINC000041627537 369193321 /nfs/dbraw/zinc/19/33/21/369193321.db2.gz ZFWLUMVVSYZWDU-UHFFFAOYSA-N -1 3 286.356 3.481 20 0 CGADHM O=C(/C=C/c1cccc(Br)c1)[N-]OC1CCC1 ZINC000493773529 244229545 /nfs/dbraw/zinc/22/95/45/244229545.db2.gz XFBPTJZZLLYQHM-BQYQJAHWSA-N -1 3 296.164 3.063 20 0 CGADHM Cc1ccc(CCCC(=O)Nc2ncccc2[O-])cc1 ZINC000044948733 369270197 /nfs/dbraw/zinc/27/01/97/369270197.db2.gz UKTCIVNZTAUWNO-UHFFFAOYSA-N -1 3 270.332 3.057 20 0 CGADHM Cc1ccc(C(=O)N(C)Cc2ccccc2)c([O-])c1C ZINC000048369611 369343741 /nfs/dbraw/zinc/34/37/41/369343741.db2.gz WMCXOEYHIAVZBA-UHFFFAOYSA-N -1 3 269.344 3.281 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CC[C@@H](c3ccccc3)C2)c1 ZINC000050273066 369434360 /nfs/dbraw/zinc/43/43/60/369434360.db2.gz XMPDKZAVWJQWMS-OAHLLOKOSA-N -1 3 281.355 3.330 20 0 CGADHM Cc1ccc(C)c(CN[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000050510296 369440447 /nfs/dbraw/zinc/44/04/47/369440447.db2.gz GMFNRUYCCRCLLP-MRXNPFEDSA-N -1 3 269.344 3.219 20 0 CGADHM CC[C@H](NC(=O)c1cccc([O-])c1)c1ccccc1 ZINC000051629075 369449926 /nfs/dbraw/zinc/44/99/26/369449926.db2.gz BSUHKZDIBZXEML-HNNXBMFYSA-N -1 3 255.317 3.273 20 0 CGADHM O=C(CCCc1ccccc1)Nc1nnc(-c2ccco2)[n-]1 ZINC000060615277 369589145 /nfs/dbraw/zinc/58/91/45/369589145.db2.gz USKOWTLCQVKDMD-UHFFFAOYSA-N -1 3 296.330 3.026 20 0 CGADHM O=C(CCCc1ccccc1)Nc1nc(-c2ccco2)n[n-]1 ZINC000060615277 369589147 /nfs/dbraw/zinc/58/91/47/369589147.db2.gz USKOWTLCQVKDMD-UHFFFAOYSA-N -1 3 296.330 3.026 20 0 CGADHM O=C(CCCc1ccccc1)Nc1n[n-]c(-c2ccco2)n1 ZINC000060615277 369589150 /nfs/dbraw/zinc/58/91/50/369589150.db2.gz USKOWTLCQVKDMD-UHFFFAOYSA-N -1 3 296.330 3.026 20 0 CGADHM CN(C(=O)c1cc(-c2ccco2)[n-]n1)c1ccc(F)cc1 ZINC000065495674 369679493 /nfs/dbraw/zinc/67/94/93/369679493.db2.gz ZFUQHOWITJUACV-UHFFFAOYSA-N -1 3 285.278 3.085 20 0 CGADHM CN(C(=O)c1cc(-c2ccco2)n[n-]1)c1ccc(F)cc1 ZINC000065495674 369679497 /nfs/dbraw/zinc/67/94/97/369679497.db2.gz ZFUQHOWITJUACV-UHFFFAOYSA-N -1 3 285.278 3.085 20 0 CGADHM COc1ccc(C(=O)N(C)Cc2ccc(C)s2)c([O-])c1 ZINC000076175267 369934585 /nfs/dbraw/zinc/93/45/85/369934585.db2.gz LCECLKWMQDZCJN-UHFFFAOYSA-N -1 3 291.372 3.043 20 0 CGADHM O=C(c1ccc2n[n-]nc2c1)N1CCCC2(CCCCC2)C1 ZINC000111162940 370393110 /nfs/dbraw/zinc/39/31/10/370393110.db2.gz IMNPKHHXAQABKX-UHFFFAOYSA-N -1 3 298.390 3.144 20 0 CGADHM C[C@@H]1CCCN(Cc2ccc(C(=O)[O-])cc2F)CC1 ZINC000104354954 370343764 /nfs/dbraw/zinc/34/37/64/370343764.db2.gz MBGTUIMSIRVNKV-LLVKDONJSA-N -1 3 265.328 3.146 20 0 CGADHM Cc1cc([N-]C(=O)[C@@H](C)Nc2ccc3[nH]c(C)cc3c2)on1 ZINC000113308095 370471161 /nfs/dbraw/zinc/47/11/61/370471161.db2.gz NJEZGILMEWGIQQ-LLVKDONJSA-N -1 3 298.346 3.212 20 0 CGADHM Cc1ccc(NC(=O)c2cccc(-n3ccnc3)c2)c([O-])c1 ZINC000117969566 370602881 /nfs/dbraw/zinc/60/28/81/370602881.db2.gz IIWSOXXUYQVNTO-UHFFFAOYSA-N -1 3 293.326 3.139 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)CCc2ccncc2)c1[O-] ZINC000116980299 370576640 /nfs/dbraw/zinc/57/66/40/370576640.db2.gz JUUAPDLMOUAHSI-UHFFFAOYSA-N -1 3 290.750 3.320 20 0 CGADHM Cc1cccc(-c2nc([C@@H]3CCO[C@@H](C)C3)no2)c1[O-] ZINC000331699411 204087683 /nfs/dbraw/zinc/08/76/83/204087683.db2.gz VTRGWCJITQUTSK-WDEREUQCSA-N -1 3 274.320 3.033 20 0 CGADHM Cc1ccc(NC(=O)COc2cc(C)cc(C)c2)c([O-])c1 ZINC000003550594 541848376 /nfs/dbraw/zinc/84/83/76/541848376.db2.gz FEKUUOPAFULRJI-UHFFFAOYSA-N -1 3 285.343 3.335 20 0 CGADHM Cc1nc2ccccc2n1CCC(=O)Nc1ccccc1[O-] ZINC000132570049 371184704 /nfs/dbraw/zinc/18/47/04/371184704.db2.gz HJOAUZNSROZNQJ-UHFFFAOYSA-N -1 3 295.342 3.079 20 0 CGADHM O=C(CC1CCCCC1)NCc1ccc([O-])c(F)c1 ZINC000133089875 371226402 /nfs/dbraw/zinc/22/64/02/371226402.db2.gz QGHIKEYMXIANIF-UHFFFAOYSA-N -1 3 265.328 3.118 20 0 CGADHM Cc1cccc([O-])c1NC(=O)Cc1cnc2ccccc2c1 ZINC000133618794 371266745 /nfs/dbraw/zinc/26/67/45/371266745.db2.gz NNFOTYRPBGNNMV-UHFFFAOYSA-N -1 3 292.338 3.430 20 0 CGADHM CCCCOCC(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000134081402 371301673 /nfs/dbraw/zinc/30/16/73/371301673.db2.gz PBPUFBBWDZXTAE-UHFFFAOYSA-N -1 3 291.269 3.166 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])c1ccc(F)c(F)c1F ZINC000134126819 371305787 /nfs/dbraw/zinc/30/57/87/371305787.db2.gz VISPGTFWKFHWHB-UHFFFAOYSA-N -1 3 285.196 3.201 20 0 CGADHM O=C([N-]OC1CCCC1)c1cc(F)c(Cl)cc1F ZINC000135132775 371392621 /nfs/dbraw/zinc/39/26/21/371392621.db2.gz WLICRHMOJDJAAZ-UHFFFAOYSA-N -1 3 275.682 3.222 20 0 CGADHM CC(C)CO[N-]C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000135412445 371424113 /nfs/dbraw/zinc/42/41/13/371424113.db2.gz FMQDYGSVPJLHMP-UHFFFAOYSA-N -1 3 276.258 3.415 20 0 CGADHM C[C@@H]1CCCC[C@H]1NC(=O)Cc1ccc([O-])cc1Cl ZINC000136061633 371459020 /nfs/dbraw/zinc/45/90/20/371459020.db2.gz ZBMFTVFTBCOZQG-QMTHXVAHSA-N -1 3 281.783 3.283 20 0 CGADHM COc1ccc(C(=O)N2CC[C@@H](C3CCCC3)C2)c([O-])c1 ZINC000421655822 371595927 /nfs/dbraw/zinc/59/59/27/371595927.db2.gz ONZZNSMLWQANQZ-CYBMUJFWSA-N -1 3 289.375 3.053 20 0 CGADHM CC[C@@H](C)CNC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000421926644 371710486 /nfs/dbraw/zinc/71/04/86/371710486.db2.gz ZFINJGNCWMBJPQ-MRVPVSSYSA-N -1 3 275.270 3.187 20 0 CGADHM Cc1nnc([N-][C@@H](C)c2nc(C(F)(F)F)cs2)o1 ZINC000287757580 371703012 /nfs/dbraw/zinc/70/30/12/371703012.db2.gz NAJKHJJYRVBECL-BYPYZUCNSA-N -1 3 278.259 3.026 20 0 CGADHM O=C(Nc1ncccc1[O-])c1csc2ccccc12 ZINC000029579468 541858381 /nfs/dbraw/zinc/85/83/81/541858381.db2.gz UOQRRVWOBROIRE-UHFFFAOYSA-N -1 3 270.313 3.254 20 0 CGADHM CCc1nn(C)cc1NCc1cc([O-])cc(C(F)(F)F)c1 ZINC000289629272 371776888 /nfs/dbraw/zinc/77/68/88/371776888.db2.gz WYDHEFQLJBQKGN-UHFFFAOYSA-N -1 3 299.296 3.319 20 0 CGADHM O=C([O-])C[C@@H](NCc1cccs1)c1cccs1 ZINC000037087929 541861682 /nfs/dbraw/zinc/86/16/82/541861682.db2.gz CNDLNMZGKRLWNI-SNVBAGLBSA-N -1 3 267.375 3.115 20 0 CGADHM Cc1cccc(NC([O-])=NOC/C=C/Cl)c1C ZINC000290061283 371892029 /nfs/dbraw/zinc/89/20/29/371892029.db2.gz XRYUNJOOAPZTFX-QPJJXVBHSA-N -1 3 254.717 3.109 20 0 CGADHM Cc1cccc(NC(=O)[N-]OC/C=C/Cl)c1C ZINC000290061283 371892033 /nfs/dbraw/zinc/89/20/33/371892033.db2.gz XRYUNJOOAPZTFX-QPJJXVBHSA-N -1 3 254.717 3.109 20 0 CGADHM COc1ccccc1CN[C@@H](CC(=O)[O-])c1cccs1 ZINC000037087865 541860945 /nfs/dbraw/zinc/86/09/45/541860945.db2.gz HZBQZIXMLUIMIA-LBPRGKRZSA-N -1 3 291.372 3.062 20 0 CGADHM O=C(N[C@H]1CC12CCCCC2)c1cc([O-])ccc1Cl ZINC000290320065 371962040 /nfs/dbraw/zinc/96/20/40/371962040.db2.gz IGSKNTQEHZUWLE-ZDUSSCGKSA-N -1 3 279.767 3.498 20 0 CGADHM CSc1ccc(C(=O)[N-]c2c(C)noc2C2CC2)o1 ZINC000156547082 371984173 /nfs/dbraw/zinc/98/41/73/371984173.db2.gz ANXKTMUGGXYQSO-UHFFFAOYSA-N -1 3 278.333 3.428 20 0 CGADHM CC[C@](C)(OC)c1noc(-c2cc(C)cc(OC)c2[O-])n1 ZINC000290634148 372032616 /nfs/dbraw/zinc/03/26/16/372032616.db2.gz ZZTSVMXKVNNETB-HNNXBMFYSA-N -1 3 292.335 3.031 20 0 CGADHM CN(Cc1cc([O-])cc(C(F)(F)F)c1)Cc1ccccn1 ZINC000290825720 372058880 /nfs/dbraw/zinc/05/88/80/372058880.db2.gz HMUOGCUWJBAWOC-UHFFFAOYSA-N -1 3 296.292 3.438 20 0 CGADHM Cc1cccc([O-])c1NC(=O)/C=C/c1cccc(O)c1 ZINC000157215185 372012621 /nfs/dbraw/zinc/01/26/21/372012621.db2.gz KQPXTAIAFGRLOK-CMDGGOBGSA-N -1 3 269.300 3.058 20 0 CGADHM CO[C@@](C)(C(=O)Nc1cc(Cl)cc(C)c1[O-])C1CC1 ZINC000290918256 372074622 /nfs/dbraw/zinc/07/46/22/372074622.db2.gz AZNDQPQKZQZVRD-CQSZACIVSA-N -1 3 283.755 3.108 20 0 CGADHM CCCC[C@@H](C)N(C)C(=O)c1cccc(OC)c1[O-] ZINC000291133925 372122902 /nfs/dbraw/zinc/12/29/02/372122902.db2.gz DMQOAUBDRRIDSW-LLVKDONJSA-N -1 3 265.353 3.052 20 0 CGADHM CCOc1cc(C)ccc1NC([O-])=NOCC(C)C ZINC000159268088 372125883 /nfs/dbraw/zinc/12/58/83/372125883.db2.gz OJXHJIWQSLVUBQ-UHFFFAOYSA-N -1 3 266.341 3.103 20 0 CGADHM CCOc1cc(C)ccc1NC(=O)[N-]OCC(C)C ZINC000159268088 372125891 /nfs/dbraw/zinc/12/58/91/372125891.db2.gz OJXHJIWQSLVUBQ-UHFFFAOYSA-N -1 3 266.341 3.103 20 0 CGADHM CSC[C@H]1CCCN(Cc2cc([O-])cc(F)c2)C1 ZINC000292786216 372209246 /nfs/dbraw/zinc/20/92/46/372209246.db2.gz LXILTSWWCBSPJJ-NSHDSACASA-N -1 3 269.385 3.106 20 0 CGADHM [O-]c1cccc(CNC[C@H]2COc3ccccc32)c1Cl ZINC000292968370 372263087 /nfs/dbraw/zinc/26/30/87/372263087.db2.gz MCLPAXFQEHACEI-LBPRGKRZSA-N -1 3 289.762 3.311 20 0 CGADHM CC[C@@H](C(=O)[O-])N(C)Cc1ccc(Cl)cc1Cl ZINC000044622148 541873611 /nfs/dbraw/zinc/87/36/11/541873611.db2.gz XERRODGGUNBTHO-NSHDSACASA-N -1 3 276.163 3.288 20 0 CGADHM CCO[C@@H]1C[C@H]1c1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000293368900 372368022 /nfs/dbraw/zinc/36/80/22/372368022.db2.gz HKHHIMUDACJLBN-UKRRQHHQSA-N -1 3 296.326 3.488 20 0 CGADHM CCn1ncc(C(=O)[N-]c2ccccc2SC(C)C)n1 ZINC000293406982 372375942 /nfs/dbraw/zinc/37/59/42/372375942.db2.gz OMZIWEZHKXBZGC-UHFFFAOYSA-N -1 3 290.392 3.051 20 0 CGADHM CCc1cc(=O)[n-]c(CN2CCCC3(CCCCC3)C2)n1 ZINC000344344667 217161371 /nfs/dbraw/zinc/16/13/71/217161371.db2.gz DZLLCJVHPSJMMB-UHFFFAOYSA-N -1 3 289.423 3.291 20 0 CGADHM C[C@@H](CCO)C1(CNCc2cccc([O-])c2Cl)CCC1 ZINC000293363627 372366215 /nfs/dbraw/zinc/36/62/15/372366215.db2.gz UTHRGYSYGZNXLE-LBPRGKRZSA-N -1 3 297.826 3.324 20 0 CGADHM Cc1ccc(C(=O)N2CCC3(CCC3)C2)c([O-])c1C ZINC000163264762 372457299 /nfs/dbraw/zinc/45/72/99/372457299.db2.gz BLOTZRRASNIMOJ-UHFFFAOYSA-N -1 3 259.349 3.025 20 0 CGADHM CC(C)O[C@H](C(=O)Nc1ccccc1[O-])c1ccccc1 ZINC000431393545 372466120 /nfs/dbraw/zinc/46/61/20/372466120.db2.gz RRGPJWONRFGQQW-INIZCTEOSA-N -1 3 285.343 3.497 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])C1Cc2ccccc2C1 ZINC000431911138 372515130 /nfs/dbraw/zinc/51/51/30/372515130.db2.gz XWGCZFCRGXHREA-UHFFFAOYSA-N -1 3 287.746 3.399 20 0 CGADHM CCOC1(C)CCN(Cc2c(F)ccc([O-])c2F)CC1 ZINC000293943939 372531397 /nfs/dbraw/zinc/53/13/97/372531397.db2.gz ONHSYNGJNZEDMI-UHFFFAOYSA-N -1 3 285.334 3.061 20 0 CGADHM CC(C)ON=C([O-])Nc1ccc(C(F)(F)F)cc1 ZINC000294059910 372570089 /nfs/dbraw/zinc/57/00/89/372570089.db2.gz JZFSZKQMDGUXBI-UHFFFAOYSA-N -1 3 262.231 3.167 20 0 CGADHM CC(C)O[N-]C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000294059910 372570094 /nfs/dbraw/zinc/57/00/94/372570094.db2.gz JZFSZKQMDGUXBI-UHFFFAOYSA-N -1 3 262.231 3.167 20 0 CGADHM CC[C@@H](C)N(CC(=O)[O-])Cc1cccc(Cl)c1F ZINC000167037139 372586357 /nfs/dbraw/zinc/58/63/57/372586357.db2.gz XRMBKYBESYTNTM-SECBINFHSA-N -1 3 273.735 3.164 20 0 CGADHM [O-]c1ccc(F)c(CNCCSC(F)(F)F)c1F ZINC000294223565 372619434 /nfs/dbraw/zinc/61/94/34/372619434.db2.gz MAENPHBJCGXKTH-UHFFFAOYSA-N -1 3 287.253 3.013 20 0 CGADHM Cc1cccc([O-])c1NC(=O)[C@@H](C)OCCc1ccccc1 ZINC000294902188 372678351 /nfs/dbraw/zinc/67/83/51/372678351.db2.gz IJLPMORZLIIAGZ-CQSZACIVSA-N -1 3 299.370 3.287 20 0 CGADHM CC(C)(C)c1nc2cc([N-]S(=O)(=O)C3CC3)ccc2o1 ZINC000171334105 372742385 /nfs/dbraw/zinc/74/23/85/372742385.db2.gz HTMVVXFSCDJIKO-UHFFFAOYSA-N -1 3 294.376 3.029 20 0 CGADHM Cc1ccc([O-])c(C(=O)N[C@@H]2CCCO[C@@H]2CC(C)C)c1 ZINC000436567830 372835548 /nfs/dbraw/zinc/83/55/48/372835548.db2.gz YNNNWNGLJIJCQD-GDBMZVCRSA-N -1 3 291.391 3.024 20 0 CGADHM CC(F)(F)CCNC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000295664014 372865888 /nfs/dbraw/zinc/86/58/88/372865888.db2.gz WFVRUNGAJGIKMD-UHFFFAOYSA-N -1 3 297.223 3.186 20 0 CGADHM CCc1cc(=O)[n-]c(CSCCC(C)(C)C)n1 ZINC000438310074 372924217 /nfs/dbraw/zinc/92/42/17/372924217.db2.gz YYKUNVDLSURPLN-UHFFFAOYSA-N -1 3 254.399 3.414 20 0 CGADHM C/C(=C\c1ccccc1Cl)C(=O)[N-]OC(C)C ZINC000295791597 372911548 /nfs/dbraw/zinc/91/15/48/372911548.db2.gz ZBPBEOKQJLJMLL-CSKARUKUSA-N -1 3 253.729 3.200 20 0 CGADHM Cc1cnc(OC(C)C)c(NC(=O)c2cccc([O-])c2)c1 ZINC000295842468 372931505 /nfs/dbraw/zinc/93/15/05/372931505.db2.gz CUQLBAYXSAXUNR-UHFFFAOYSA-N -1 3 286.331 3.135 20 0 CGADHM CN(Cc1ccc(O)cc1)Cc1cccc([O-])c1Cl ZINC000353519458 220132590 /nfs/dbraw/zinc/13/25/90/220132590.db2.gz MIBYWABYOUISRA-UHFFFAOYSA-N -1 3 277.751 3.383 20 0 CGADHM CC(C)c1ccc(C(=O)N2CCC(CF)CC2)c([O-])c1 ZINC000295981063 372983872 /nfs/dbraw/zinc/98/38/72/372983872.db2.gz PPSBZVITBJEJEF-UHFFFAOYSA-N -1 3 279.355 3.337 20 0 CGADHM FC1(F)CC(CSc2n[n-]c(-c3ccccn3)n2)C1 ZINC000296156046 373038788 /nfs/dbraw/zinc/03/87/88/373038788.db2.gz YKGMEALGASPNQF-UHFFFAOYSA-N -1 3 282.319 3.004 20 0 CGADHM CC(C)ON=C([O-])Nc1ccc(OCC(F)(F)F)cc1 ZINC000296218631 373056208 /nfs/dbraw/zinc/05/62/08/373056208.db2.gz DYQGLWISZHXUOL-UHFFFAOYSA-N -1 3 292.257 3.089 20 0 CGADHM CC(C)O[N-]C(=O)Nc1ccc(OCC(F)(F)F)cc1 ZINC000296218631 373056211 /nfs/dbraw/zinc/05/62/11/373056211.db2.gz DYQGLWISZHXUOL-UHFFFAOYSA-N -1 3 292.257 3.089 20 0 CGADHM CCCC[C@H](NC(=O)c1ccc([O-])c(OC)c1)C1CCC1 ZINC000443048115 373144160 /nfs/dbraw/zinc/14/41/60/373144160.db2.gz IYRLZDKZGSTTND-AWEZNQCLSA-N -1 3 291.391 3.490 20 0 CGADHM CCC[C@H](OC)c1nc(-c2ccc([O-])c(OCC)c2)no1 ZINC000296685964 373220496 /nfs/dbraw/zinc/22/04/96/373220496.db2.gz GVAOIFOCZCGAQI-LBPRGKRZSA-N -1 3 292.335 3.329 20 0 CGADHM C[C@@H](C(=O)Nc1cc(Cl)ccc1[O-])c1cccnc1 ZINC000174066121 373243646 /nfs/dbraw/zinc/24/36/46/373243646.db2.gz ADFYHMBSHAOHSH-SECBINFHSA-N -1 3 276.723 3.183 20 0 CGADHM COc1ccc([O-])c(C(=O)N(Cc2ccco2)C(C)C)c1 ZINC000298340809 373294529 /nfs/dbraw/zinc/29/45/29/373294529.db2.gz CFIIDPADLAIRBM-UHFFFAOYSA-N -1 3 289.331 3.045 20 0 CGADHM Cc1cc(C(=O)Nc2ccc3cc[nH]c3c2)ccc1[O-] ZINC000447642742 373467126 /nfs/dbraw/zinc/46/71/26/373467126.db2.gz CEWNPBRGACUZNH-UHFFFAOYSA-N -1 3 266.300 3.434 20 0 CGADHM Cc1cc(C)c(C(=O)N=c2cc(C3(C)CCCC3)o[n-]2)[nH]1 ZINC000448409913 373577863 /nfs/dbraw/zinc/57/78/63/373577863.db2.gz BZXNOQUOKQWLQC-UHFFFAOYSA-N -1 3 287.363 3.125 20 0 CGADHM CCO[C@@H]1CCN(Cc2cccc([O-])c2Cl)C[C@H]1C ZINC000449492549 373783456 /nfs/dbraw/zinc/78/34/56/373783456.db2.gz CEYAVHYZMOZRSM-BXUZGUMPSA-N -1 3 283.799 3.293 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)[C@@H]2C[C@H]2C(F)(F)F)c1[O-] ZINC000449892070 373960107 /nfs/dbraw/zinc/96/01/07/373960107.db2.gz XKJHKWYOMWXNKV-HTQZYQBOSA-N -1 3 293.672 3.491 20 0 CGADHM CCc1ccc([O-])c(NC(=O)c2ccccc2C(C)=O)c1 ZINC000179816554 373921905 /nfs/dbraw/zinc/92/19/05/373921905.db2.gz OAUPTJQLUHJSHT-UHFFFAOYSA-N -1 3 283.327 3.410 20 0 CGADHM CCc1ccc(C(C)(C)NCc2nc(CC)cc(=O)[n-]2)cc1 ZINC000180097363 373963437 /nfs/dbraw/zinc/96/34/37/373963437.db2.gz MNMPOQABIHNPOJ-UHFFFAOYSA-N -1 3 299.418 3.332 20 0 CGADHM CCC[C@@H]1CCC[C@@H]1C(=O)N=c1cc(-c2ccncc2)[n-][nH]1 ZINC000449836118 373940130 /nfs/dbraw/zinc/94/01/30/373940130.db2.gz RSLCJOJFYNPIPB-OCCSQVGLSA-N -1 3 298.390 3.049 20 0 CGADHM COc1cccc(C(=O)NCC(C)(C)c2ccccc2)c1[O-] ZINC000302927220 374005677 /nfs/dbraw/zinc/00/56/77/374005677.db2.gz CGYLTVPXBKWRTJ-UHFFFAOYSA-N -1 3 299.370 3.108 20 0 CGADHM Cc1cccc(OC[C@H](C)NC(=O)c2cccc(C)c2[O-])c1 ZINC000303057020 374009869 /nfs/dbraw/zinc/00/98/69/374009869.db2.gz ZIXLULSXTCSQKS-AWEZNQCLSA-N -1 3 299.370 3.206 20 0 CGADHM C[C@@H]1CN(C(=O)c2cccc([O-])c2)[C@@H]2CCCC[C@@H]21 ZINC000180516866 374016967 /nfs/dbraw/zinc/01/69/67/374016967.db2.gz DTCQPGLQJRQMKY-KCPJHIHWSA-N -1 3 259.349 3.043 20 0 CGADHM Cc1ccc([C@H](C)CNC(=O)c2ccccc2[O-])cc1 ZINC000303738154 374027984 /nfs/dbraw/zinc/02/79/84/374027984.db2.gz HJDGBIZRKSRQAF-CYBMUJFWSA-N -1 3 269.344 3.234 20 0 CGADHM Cc1cccc(O[C@H](C)CNC(=O)c2ccc(C)cc2[O-])c1 ZINC000303975437 374033572 /nfs/dbraw/zinc/03/35/72/374033572.db2.gz VIEHHRYWYXGGNM-CQSZACIVSA-N -1 3 299.370 3.206 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)N(C)Cc2ccc(C)c(C)c2)n1 ZINC000452048762 374217427 /nfs/dbraw/zinc/21/74/27/374217427.db2.gz QOERFPSKPIHSQM-CQSZACIVSA-N -1 3 285.391 3.300 20 0 CGADHM [O-]c1ccc(Br)c(CNC2(C(F)F)CC2)c1 ZINC000309544506 374188309 /nfs/dbraw/zinc/18/83/09/374188309.db2.gz ZFXQMYZGAOOETM-UHFFFAOYSA-N -1 3 292.123 3.042 20 0 CGADHM COc1c(C)cc(CN(C)C(=O)c2cccc([O-])c2)cc1C ZINC000182288330 374252851 /nfs/dbraw/zinc/25/28/51/374252851.db2.gz GYMPQGBCJSRCDD-UHFFFAOYSA-N -1 3 299.370 3.290 20 0 CGADHM CC1(C)CN(C(=O)Cc2ccc([O-])c(F)c2)[C@@H]2CCC[C@H]21 ZINC000452154374 374254134 /nfs/dbraw/zinc/25/41/34/374254134.db2.gz HYQGUYQMLICATP-TZMCWYRMSA-N -1 3 291.366 3.111 20 0 CGADHM O=C(c1cccc([O-])c1)N1CCSC[C@@H]1c1ccccc1 ZINC000182454166 374274539 /nfs/dbraw/zinc/27/45/39/374274539.db2.gz YLMHHIBSESGRTM-MRXNPFEDSA-N -1 3 299.395 3.323 20 0 CGADHM Cc1nn(-c2ccccc2)cc1NC(=O)c1cccc([O-])c1 ZINC000182615028 374299865 /nfs/dbraw/zinc/29/98/65/374299865.db2.gz FAQYJGAXXLAEBJ-UHFFFAOYSA-N -1 3 293.326 3.139 20 0 CGADHM O=C([O-])[C@H]1Cc2ccccc2CN1C/C=C\c1ccccc1 ZINC000315665614 374331010 /nfs/dbraw/zinc/33/10/10/374331010.db2.gz YJILOPKNVFPMFP-OTIVFRFGSA-N -1 3 293.366 3.211 20 0 CGADHM COc1ccc([O-])c(-c2nc([C@@H]3Cc4ccccc43)no2)c1 ZINC000315805096 374332763 /nfs/dbraw/zinc/33/27/63/374332763.db2.gz BKUVJUQLTXIBPR-CYBMUJFWSA-N -1 3 294.310 3.139 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2C[C@@H](C)C[C@@H]2c2cccnc2)c1 ZINC000182835997 374334698 /nfs/dbraw/zinc/33/46/98/374334698.db2.gz BYMSHTJTPJXXIM-XJKSGUPXSA-N -1 3 296.370 3.319 20 0 CGADHM Cc1cc(C(=O)Nc2ccc(-c3cc[nH]n3)cc2)ccc1[O-] ZINC000318270431 374341671 /nfs/dbraw/zinc/34/16/71/374341671.db2.gz DLUKUENAKCCQTB-UHFFFAOYSA-N -1 3 293.326 3.343 20 0 CGADHM O=C(Nc1ccc(F)c(Cl)c1)c1cccc2nn[n-]c21 ZINC000182690526 374314022 /nfs/dbraw/zinc/31/40/22/374314022.db2.gz CEJCYWHHUSCWIT-UHFFFAOYSA-N -1 3 290.685 3.003 20 0 CGADHM O=C(Nc1ccc(F)c(Cl)c1)c1cccc2[n-]nnc21 ZINC000182690526 374314031 /nfs/dbraw/zinc/31/40/31/374314031.db2.gz CEJCYWHHUSCWIT-UHFFFAOYSA-N -1 3 290.685 3.003 20 0 CGADHM O=C(Nc1ccc(F)c(Cl)c1)c1cccc2n[n-]nc21 ZINC000182690526 374314038 /nfs/dbraw/zinc/31/40/38/374314038.db2.gz CEJCYWHHUSCWIT-UHFFFAOYSA-N -1 3 290.685 3.003 20 0 CGADHM Cc1nscc1C(=O)[N-]c1cc(-c2ccccc2)on1 ZINC000183217080 374387158 /nfs/dbraw/zinc/38/71/58/374387158.db2.gz GVCFKHBBILFGGX-UHFFFAOYSA-N -1 3 285.328 3.359 20 0 CGADHM O=C(c1cccc2[n-]nnc21)N(CC1CCCCC1)C1CC1 ZINC000183448202 374416719 /nfs/dbraw/zinc/41/67/19/374416719.db2.gz WFVHCERTVVONDY-UHFFFAOYSA-N -1 3 298.390 3.143 20 0 CGADHM O=C(c1cccc2nn[n-]c21)N(CC1CCCCC1)C1CC1 ZINC000183448202 374416722 /nfs/dbraw/zinc/41/67/22/374416722.db2.gz WFVHCERTVVONDY-UHFFFAOYSA-N -1 3 298.390 3.143 20 0 CGADHM O=C(c1cccc2n[n-]nc21)N(CC1CCCCC1)C1CC1 ZINC000183448202 374416728 /nfs/dbraw/zinc/41/67/28/374416728.db2.gz WFVHCERTVVONDY-UHFFFAOYSA-N -1 3 298.390 3.143 20 0 CGADHM C[C@@H](C(=O)Nc1cc(F)ccc1[O-])c1ccccc1 ZINC000183780621 374455757 /nfs/dbraw/zinc/45/57/57/374455757.db2.gz YDRZTYNWFKFCFO-SNVBAGLBSA-N -1 3 259.280 3.274 20 0 CGADHM CC(C)[C@](C)(O)C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000330399623 374458406 /nfs/dbraw/zinc/45/84/06/374458406.db2.gz MUAPVQBHUJTYER-INIZCTEOSA-N -1 3 279.380 3.035 20 0 CGADHM O=[S@](Cc1ccc(F)cc1Cl)c1cccc([O-])c1 ZINC000184044221 374485430 /nfs/dbraw/zinc/48/54/30/374485430.db2.gz VAEKICWRDMJAPI-GOSISDBHSA-N -1 3 284.739 3.493 20 0 CGADHM C[C@H]1CC(C(=O)NCc2ccc([O-])c(F)c2)C[C@H](C)C1 ZINC000183907915 374472537 /nfs/dbraw/zinc/47/25/37/374472537.db2.gz QVFACBMCMFFOAK-GHMZBOCLSA-N -1 3 279.355 3.220 20 0 CGADHM CC(=O)Nc1cccc(NCc2cc([O-])cc(F)c2)c1 ZINC000184131847 374495305 /nfs/dbraw/zinc/49/53/05/374495305.db2.gz NHTKSAQYLIVGFZ-UHFFFAOYSA-N -1 3 274.295 3.102 20 0 CGADHM C[C@H]1CC[C@H](C)N(Cc2ccc(F)cc2C(=O)[O-])C1 ZINC000088712481 541951222 /nfs/dbraw/zinc/95/12/22/541951222.db2.gz GVHUJSSPWQEMJU-QWRGUYRKSA-N -1 3 265.328 3.144 20 0 CGADHM C[C@H](c1ccncc1)N(C)C(=O)c1cc([O-])ccc1Cl ZINC000334195527 206177692 /nfs/dbraw/zinc/17/76/92/206177692.db2.gz JRHBFSWSMQLIAL-SNVBAGLBSA-N -1 3 290.750 3.274 20 0 CGADHM CC[C@H]1CCCC[C@H]1OCC(=O)Nc1cccc([O-])c1F ZINC000184891065 374569002 /nfs/dbraw/zinc/56/90/02/374569002.db2.gz WYWUBOLBYCZGHJ-SMDDNHRTSA-N -1 3 295.354 3.455 20 0 CGADHM C[C@H](CN1CCCC[C@H]1c1n[nH]c(=O)[n-]1)C1CCCCC1 ZINC000333638187 374611783 /nfs/dbraw/zinc/61/17/83/374611783.db2.gz BQIUCPUYXXQWEE-OCCSQVGLSA-N -1 3 292.427 3.254 20 0 CGADHM Cc1nc(C(=O)[N-]c2ccncc2F)c(-c2ccccc2)o1 ZINC000185279233 374627804 /nfs/dbraw/zinc/62/78/04/374627804.db2.gz KZJFKBFLAIIHOO-UHFFFAOYSA-N -1 3 297.289 3.436 20 0 CGADHM Cc1ccc(CNCc2cc([O-])cc(F)c2)c(C)c1 ZINC000185472287 374669775 /nfs/dbraw/zinc/66/97/75/374669775.db2.gz LJVOONFBJZPXIJ-UHFFFAOYSA-N -1 3 259.324 3.438 20 0 CGADHM CN1Cc2ccc(NCc3cc([O-])cc(F)c3)cc2C1 ZINC000185589709 374693640 /nfs/dbraw/zinc/69/36/40/374693640.db2.gz DVKKPBDFNVXAJB-UHFFFAOYSA-N -1 3 272.323 3.089 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)[C@H]2CC=CCC2)c1-c1ccccc1 ZINC000334463260 374772634 /nfs/dbraw/zinc/77/26/34/374772634.db2.gz YWHASUQZTMSOCI-AWEZNQCLSA-N -1 3 281.359 3.102 20 0 CGADHM Cc1ccc(C(=O)Nc2cccc(C(N)=O)c2)c([O-])c1C ZINC000334467023 374775574 /nfs/dbraw/zinc/77/55/74/374775574.db2.gz DSVOJEJAHKMYBU-UHFFFAOYSA-N -1 3 284.315 3.145 20 0 CGADHM CCc1ccc([O-])c(C(=O)N(C)c2ccccc2OC)c1 ZINC000094031461 541984836 /nfs/dbraw/zinc/98/48/36/541984836.db2.gz WCNSTGXOQPFEGL-UHFFFAOYSA-N -1 3 285.343 3.240 20 0 CGADHM Cc1ccc(C(=O)N2CCC[C@H]2c2cccnc2)c([O-])c1C ZINC000334699390 374985957 /nfs/dbraw/zinc/98/59/57/374985957.db2.gz FBXJOMHHBNAZIG-INIZCTEOSA-N -1 3 296.370 3.381 20 0 CGADHM COC(=O)c1cnc(S[C@H](C)c2c(F)cccc2F)[n-]1 ZINC000187590088 375050481 /nfs/dbraw/zinc/05/04/81/375050481.db2.gz BXEIWWJOAWCLPU-SSDOTTSWSA-N -1 3 298.314 3.328 20 0 CGADHM CC(C)c1ccc(CCC(=O)NCc2ncccc2[O-])cc1 ZINC000473642495 375057340 /nfs/dbraw/zinc/05/73/40/375057340.db2.gz YXEFEMXOBYLOQW-UHFFFAOYSA-N -1 3 298.386 3.160 20 0 CGADHM Cc1cccc([C@H](C)NC(=O)c2cccc3nn[n-]c32)c1C ZINC000188026221 375142731 /nfs/dbraw/zinc/14/27/31/375142731.db2.gz ZQFYBYJNIBTXOQ-LBPRGKRZSA-N -1 3 294.358 3.066 20 0 CGADHM Cc1cccc([C@H](C)NC(=O)c2cccc3[n-]nnc32)c1C ZINC000188026221 375142733 /nfs/dbraw/zinc/14/27/33/375142733.db2.gz ZQFYBYJNIBTXOQ-LBPRGKRZSA-N -1 3 294.358 3.066 20 0 CGADHM Cc1cccc([C@H](C)NC(=O)c2cccc3n[n-]nc32)c1C ZINC000188026221 375142739 /nfs/dbraw/zinc/14/27/39/375142739.db2.gz ZQFYBYJNIBTXOQ-LBPRGKRZSA-N -1 3 294.358 3.066 20 0 CGADHM CCc1ccc(C(=O)N(C)Cc2ccccc2OC)c([O-])c1 ZINC000188536885 375227965 /nfs/dbraw/zinc/22/79/65/375227965.db2.gz IMECBAJTZJOZBS-UHFFFAOYSA-N -1 3 299.370 3.235 20 0 CGADHM CCCN(C)C(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000189103020 375326118 /nfs/dbraw/zinc/32/61/18/375326118.db2.gz CHRNNJXNMODJOX-UHFFFAOYSA-N -1 3 297.354 3.105 20 0 CGADHM Cc1cc(CN2CC[C@@H](C)[C@@H](C(=O)[O-])C2)ccc1Cl ZINC000335444712 375300469 /nfs/dbraw/zinc/30/04/69/375300469.db2.gz SFCJIJMKAIDOTJ-MFKMUULPSA-N -1 3 281.783 3.191 20 0 CGADHM C[C@H](C(=O)Nc1cc(Cl)ccc1[O-])c1ncccc1F ZINC000335689310 375348443 /nfs/dbraw/zinc/34/84/43/375348443.db2.gz RCBKTBMLICMFMK-QMMMGPOBSA-N -1 3 294.713 3.322 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)c1-c1ccccc1 ZINC000335714217 375370188 /nfs/dbraw/zinc/37/01/88/375370188.db2.gz VDEHBLFQYALXIX-FOLVSLTJSA-N -1 3 295.386 3.182 20 0 CGADHM C/C=C(/C=C\C(=O)Nc1ccc(OC)cc1[O-])CC ZINC000491962758 375379900 /nfs/dbraw/zinc/37/99/00/375379900.db2.gz KKDYDLRIEGLSMS-XJYLAGHESA-N -1 3 261.321 3.252 20 0 CGADHM COc1cccc(/C=C\C(=O)Nc2ccc(OC)cc2[O-])c1 ZINC000491968132 375381466 /nfs/dbraw/zinc/38/14/66/375381466.db2.gz XODVKWGNVZWHGB-TWGQIWQCSA-N -1 3 299.326 3.061 20 0 CGADHM C[C@@H]1CCC[C@@H](NC(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC000190582335 375521973 /nfs/dbraw/zinc/52/19/73/375521973.db2.gz GLJIQEQMPZHQJO-DGCLKSJQSA-N -1 3 294.370 3.299 20 0 CGADHM C[C@H](c1ccccc1Cl)N(C)C(=O)c1csc(=O)[n-]1 ZINC000336054288 375649616 /nfs/dbraw/zinc/64/96/16/375649616.db2.gz SRXVFYZTAKROOS-MRVPVSSYSA-N -1 3 296.779 3.335 20 0 CGADHM CC(=O)c1cccc(NC(=O)c2ccccc2C)c1[O-] ZINC000336143607 375721260 /nfs/dbraw/zinc/72/12/60/375721260.db2.gz CAEXTZCOYIRTOE-UHFFFAOYSA-N -1 3 269.300 3.156 20 0 CGADHM Cc1cnc([N-]C(=O)c2ncsc2C(F)(F)F)s1 ZINC000336127167 375706419 /nfs/dbraw/zinc/70/64/19/375706419.db2.gz HUCCYJLHECQRLY-UHFFFAOYSA-N -1 3 293.295 3.179 20 0 CGADHM Cc1cccc([O-])c1NC(=O)c1ccoc1Cl ZINC000192442225 375749338 /nfs/dbraw/zinc/74/93/38/375749338.db2.gz HDWCSXLRRLCYJY-UHFFFAOYSA-N -1 3 251.669 3.199 20 0 CGADHM CCN(C(=O)c1ccc2n[n-]nc2c1)c1cc(C)cc(C)c1 ZINC000192464575 375752186 /nfs/dbraw/zinc/75/21/86/375752186.db2.gz VBADLQYLDMKJQX-UHFFFAOYSA-N -1 3 294.358 3.241 20 0 CGADHM CCc1ccc([C@@H](C)N[C@@H](C)c2nc(C)cc(=O)[n-]2)cc1 ZINC000192722029 375782266 /nfs/dbraw/zinc/78/22/66/375782266.db2.gz WKZHWLNIAMUEAS-OLZOCXBDSA-N -1 3 285.391 3.465 20 0 CGADHM CC(C)C[C@@H]1CCN(C(=O)Cc2ccc([O-])cc2Cl)C1 ZINC000509113438 375771842 /nfs/dbraw/zinc/77/18/42/375771842.db2.gz SMUJPXNISADZMV-LBPRGKRZSA-N -1 3 295.810 3.483 20 0 CGADHM O=C(CCc1ccccc1F)Nc1cccc([O-])c1F ZINC000129237153 542055104 /nfs/dbraw/zinc/05/51/04/542055104.db2.gz ZMOXEQMNSXPAIR-UHFFFAOYSA-N -1 3 277.270 3.242 20 0 CGADHM Cc1cc(C(=O)N2CC3(CCC3)C[C@@H]2C)ccc1[O-] ZINC000336541842 375820105 /nfs/dbraw/zinc/82/01/05/375820105.db2.gz YTWYJZPQRBWVTM-LBPRGKRZSA-N -1 3 259.349 3.105 20 0 CGADHM CCS[C@@H]1CCCC[C@H]1N[C@@H](C)c1nc(C)cc(=O)[n-]1 ZINC000192794253 375791220 /nfs/dbraw/zinc/79/12/20/375791220.db2.gz JERUKQSOVCXJKN-YNEHKIRRSA-N -1 3 295.452 3.206 20 0 CGADHM C[C@@H](c1nc(-c2ccc([O-])cc2)no1)C(F)(F)F ZINC000336570140 375840348 /nfs/dbraw/zinc/84/03/48/375840348.db2.gz PRIRPKMPHHTJHV-LURJTMIESA-N -1 3 258.199 3.108 20 0 CGADHM O=C(c1ccc2n[n-]nc2c1)N1CCC[C@H]1C1CCCCC1 ZINC000194253500 375976489 /nfs/dbraw/zinc/97/64/89/375976489.db2.gz OMSXRNKWXWGIKG-INIZCTEOSA-N -1 3 298.390 3.143 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCCC[C@H]2C(C)C)o1 ZINC000536894523 376142058 /nfs/dbraw/zinc/14/20/58/376142058.db2.gz SJHAOFTWFSFZIJ-STQMWFEESA-N -1 3 285.409 3.081 20 0 CGADHM CCSCCCNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000337679909 376235501 /nfs/dbraw/zinc/23/55/01/376235501.db2.gz ZHRZAWBVAVHAHR-UHFFFAOYSA-N -1 3 299.411 3.113 20 0 CGADHM CCc1cccc2c1N(C(=O)c1cc(C)ccc1[O-])CC2 ZINC000538740765 376267968 /nfs/dbraw/zinc/26/79/68/376267968.db2.gz UAWDRKDVTWBZSX-UHFFFAOYSA-N -1 3 281.355 3.466 20 0 CGADHM CCc1ccc([O-])c(C(=O)N[C@@H](c2cccnc2)C2CC2)c1 ZINC000538764036 376269429 /nfs/dbraw/zinc/26/94/29/376269429.db2.gz JMSMBKQOXWGHMG-QGZVFWFLSA-N -1 3 296.370 3.231 20 0 CGADHM CCS[C@H]1CCC[C@H]1NC(=O)c1cccc(C)c1[O-] ZINC000225705395 376321655 /nfs/dbraw/zinc/32/16/55/376321655.db2.gz JAWSPBULLZOQHR-OLZOCXBDSA-N -1 3 279.405 3.105 20 0 CGADHM Cc1ccc(NC(=O)c2ccc3c(c2)CCCC3=O)c([O-])c1 ZINC000338521101 376408688 /nfs/dbraw/zinc/40/86/88/376408688.db2.gz UPSGUTFRXXGFOY-UHFFFAOYSA-N -1 3 295.338 3.472 20 0 CGADHM CC(C)N(Cc1cccs1)C(=O)c1ccc(O)cc1[O-] ZINC000227586928 376399343 /nfs/dbraw/zinc/39/93/43/376399343.db2.gz CAPFMEBVTINMCA-UHFFFAOYSA-N -1 3 291.372 3.210 20 0 CGADHM CN(CCCCC(=O)[O-])Cc1ccc(Cl)c(F)c1 ZINC000263572072 190069798 /nfs/dbraw/zinc/06/97/98/190069798.db2.gz KJEWEAAQWZKVSG-UHFFFAOYSA-N -1 3 273.735 3.166 20 0 CGADHM CCc1cc(=O)[n-]c(CN2CC[C@H](c3ccc(C)cc3)C2)n1 ZINC000541391968 376445273 /nfs/dbraw/zinc/44/52/73/376445273.db2.gz CKXDKABBRLGLOX-HNNXBMFYSA-N -1 3 297.402 3.043 20 0 CGADHM CCCn1c(=O)[n-]nc1SCCCc1ccc(C)cc1 ZINC000542215438 376519549 /nfs/dbraw/zinc/51/95/49/376519549.db2.gz IDASHECYAIMXAK-UHFFFAOYSA-N -1 3 291.420 3.427 20 0 CGADHM COc1cccc(C(=O)N(C)C[C@@H](C)c2ccccc2)c1[O-] ZINC000263866212 190082476 /nfs/dbraw/zinc/08/24/76/190082476.db2.gz YDZCPAAMIFRFTA-CYBMUJFWSA-N -1 3 299.370 3.277 20 0 CGADHM Cc1cc(C(=O)N2CCC=C(c3ccncc3)C2)ccc1[O-] ZINC000334303316 206336835 /nfs/dbraw/zinc/33/68/35/206336835.db2.gz FPCUTXJYWLPQKR-UHFFFAOYSA-N -1 3 294.354 3.025 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CC[C@@H](c3cccc(F)c3)C2)c1 ZINC000264242021 190099205 /nfs/dbraw/zinc/09/92/05/190099205.db2.gz BKELKSLIHNDUFK-CQSZACIVSA-N -1 3 299.345 3.469 20 0 CGADHM CC(C)C[C@@H](C)NC(=O)c1cc([O-])ccc1Cl ZINC000232624540 376584958 /nfs/dbraw/zinc/58/49/58/376584958.db2.gz BHSNPBYFNYEJJY-SECBINFHSA-N -1 3 255.745 3.210 20 0 CGADHM CCC(C)(CC)NC(=O)c1cc([O-])ccc1Cl ZINC000232871533 376589035 /nfs/dbraw/zinc/58/90/35/376589035.db2.gz JFJOILLFPICXFI-UHFFFAOYSA-N -1 3 255.745 3.354 20 0 CGADHM O=S(=O)([N-][C@@H]1CCC[C@@H]1F)c1csc2ccccc21 ZINC000339118008 376692122 /nfs/dbraw/zinc/69/21/22/376692122.db2.gz CPACBMKAMRIMPL-WDEREUQCSA-N -1 3 299.392 3.070 20 0 CGADHM CCCCn1c(=O)[n-]nc1SCC1(C)CCC1 ZINC000339117409 376693092 /nfs/dbraw/zinc/69/30/92/376693092.db2.gz SRWALFWCUHOZDU-UHFFFAOYSA-N -1 3 255.387 3.066 20 0 CGADHM [O-]c1ccc(-c2noc(/C=C\c3ccncc3)n2)cc1 ZINC000545174601 376792406 /nfs/dbraw/zinc/79/24/06/376792406.db2.gz BWGRSRAPKDLHAM-BHQIHCQQSA-N -1 3 265.272 3.008 20 0 CGADHM CC(C)n1ccc(C(=O)Nc2c([O-])cccc2Cl)n1 ZINC000557182408 376924070 /nfs/dbraw/zinc/92/40/70/376924070.db2.gz QVJBLFBQBQKLON-UHFFFAOYSA-N -1 3 279.727 3.075 20 0 CGADHM [O-]c1cccnc1CN1CCCCC[C@H]1c1ccco1 ZINC000557521806 376941870 /nfs/dbraw/zinc/94/18/70/376941870.db2.gz WTJSSLUCHPNHHH-AWEZNQCLSA-N -1 3 272.348 3.498 20 0 CGADHM CCOc1ccc(F)c([N-]C(=O)c2cscn2)c1F ZINC000340424495 377052225 /nfs/dbraw/zinc/05/22/25/377052225.db2.gz FJQMTAWWLBFGHJ-UHFFFAOYSA-N -1 3 284.287 3.072 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])c1c[nH]c2ncccc12 ZINC000340303904 376992083 /nfs/dbraw/zinc/99/20/83/376992083.db2.gz RWGMMFGQTGOFDD-UHFFFAOYSA-N -1 3 287.706 3.174 20 0 CGADHM CCCN1CCC[C@H]1C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000340326047 377002921 /nfs/dbraw/zinc/00/29/21/377002921.db2.gz DEPUCEDIAZEZBB-ZDUSSCGKSA-N -1 3 296.798 3.167 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])c1cccc2cnccc21 ZINC000340328300 377005944 /nfs/dbraw/zinc/00/59/44/377005944.db2.gz RIEKRYCHXSXOGV-UHFFFAOYSA-N -1 3 282.274 3.332 20 0 CGADHM CCc1cccc(C(=O)N[C@@H](C2CC2)C(F)(F)F)c1[O-] ZINC000559097944 377065892 /nfs/dbraw/zinc/06/58/92/377065892.db2.gz XWCMBRZPFAXZHU-LBPRGKRZSA-N -1 3 287.281 3.025 20 0 CGADHM CCc1nc(CC(=O)Nc2c([O-])cccc2Cl)cs1 ZINC000560822045 377193848 /nfs/dbraw/zinc/19/38/48/377193848.db2.gz WLIUAAIFLLWJGX-UHFFFAOYSA-N -1 3 296.779 3.246 20 0 CGADHM CCCc1nc(C)c(C(=O)[N-]c2c(C)onc2CC)o1 ZINC000560336580 377141301 /nfs/dbraw/zinc/14/13/01/377141301.db2.gz ZQIJFADQNRQADT-UHFFFAOYSA-N -1 3 277.324 3.047 20 0 CGADHM CN(Cc1cccc(O)c1)Cc1c(F)ccc([O-])c1F ZINC000560443811 377150192 /nfs/dbraw/zinc/15/01/92/377150192.db2.gz VEDAKEWCVAKMSH-UHFFFAOYSA-N -1 3 279.286 3.008 20 0 CGADHM COc1ccnc([N-]c2cnn(CC(C)C)c2C(F)F)n1 ZINC000340574902 377152851 /nfs/dbraw/zinc/15/28/51/377152851.db2.gz SBPXIRDZKMHHLD-UHFFFAOYSA-N -1 3 297.309 3.019 20 0 CGADHM [O-]c1ccc(F)c(CNc2cccc(CCCO)c2)c1F ZINC000340585049 377157845 /nfs/dbraw/zinc/15/78/45/377157845.db2.gz ZLNIALVTVIVDCV-UHFFFAOYSA-N -1 3 293.313 3.207 20 0 CGADHM CC(C)[C@H](NC(=O)c1cccc2nn[n-]c21)c1ccccc1 ZINC000561365596 377221755 /nfs/dbraw/zinc/22/17/55/377221755.db2.gz ICYKEUBQZRTWTR-HNNXBMFYSA-N -1 3 294.358 3.085 20 0 CGADHM CC(C)[C@H](NC(=O)c1cccc2[n-]nnc21)c1ccccc1 ZINC000561365596 377221760 /nfs/dbraw/zinc/22/17/60/377221760.db2.gz ICYKEUBQZRTWTR-HNNXBMFYSA-N -1 3 294.358 3.085 20 0 CGADHM CC(C)[C@H](NC(=O)c1cccc2n[n-]nc21)c1ccccc1 ZINC000561365596 377221767 /nfs/dbraw/zinc/22/17/67/377221767.db2.gz ICYKEUBQZRTWTR-HNNXBMFYSA-N -1 3 294.358 3.085 20 0 CGADHM Cc1cc(C(=O)Nc2ccc([C@@H]3CCOC3)cc2)ccc1[O-] ZINC000561589326 377234269 /nfs/dbraw/zinc/23/42/69/377234269.db2.gz HCMPPLNOOWRGDS-OAHLLOKOSA-N -1 3 297.354 3.457 20 0 CGADHM C[C@H](NCc1ncccc1[O-])c1ccccc1OC(F)F ZINC000561951969 377253583 /nfs/dbraw/zinc/25/35/83/377253583.db2.gz XTRWPTDWYWGVEX-JTQLQIEISA-N -1 3 294.301 3.239 20 0 CGADHM [O-]c1ccc(-c2noc([C@H]3CC3(Cl)Cl)n2)cc1 ZINC000264969568 190149003 /nfs/dbraw/zinc/14/90/03/190149003.db2.gz FBZXVLLXYPWVJJ-MRVPVSSYSA-N -1 3 271.103 3.103 20 0 CGADHM [O-]c1ccc(-c2noc([C@@H]3Cc4ccccc43)n2)cc1 ZINC000090985013 249030896 /nfs/dbraw/zinc/03/08/96/249030896.db2.gz HGBQOMALWMEBCF-CQSZACIVSA-N -1 3 264.284 3.130 20 0 CGADHM CC(C)c1ccc(CN(C)C(=O)c2c([O-])cccc2O)cc1 ZINC000092103489 249032926 /nfs/dbraw/zinc/03/29/26/249032926.db2.gz QWMUQZKEMXOZMO-UHFFFAOYSA-N -1 3 299.370 3.493 20 0 CGADHM C[C@@H](NCc1cc([O-])ccc1Br)C(C)(F)F ZINC000315044485 249098209 /nfs/dbraw/zinc/09/82/09/249098209.db2.gz QQAVVDRWLPCGGT-SSDOTTSWSA-N -1 3 294.139 3.288 20 0 CGADHM Cc1ccc(CN(C)Cc2cc(=O)[n-]c(C3CC3)n2)cc1C ZINC000459498877 249151461 /nfs/dbraw/zinc/15/14/61/249151461.db2.gz ACNZQDOFKZENJQ-UHFFFAOYSA-N -1 3 297.402 3.308 20 0 CGADHM CC(C)(C)C(=O)C(=O)Nc1cc(C(C)(C)C)ccc1[O-] ZINC000265413831 190179877 /nfs/dbraw/zinc/17/98/77/190179877.db2.gz NSAZMTGQYFQONY-UHFFFAOYSA-N -1 3 277.364 3.243 20 0 CGADHM C[C@@H]1CCCC[C@H]1CC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000518837675 249287768 /nfs/dbraw/zinc/28/77/68/249287768.db2.gz KAPVYKQSJJNWEY-NEPJUHHUSA-N -1 3 299.378 3.022 20 0 CGADHM C[C@@H]1CCCC[C@H]1CC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000518837675 249287770 /nfs/dbraw/zinc/28/77/70/249287770.db2.gz KAPVYKQSJJNWEY-NEPJUHHUSA-N -1 3 299.378 3.022 20 0 CGADHM C[C@@H](C(=O)[O-])N(Cc1ccc(Cl)cc1F)C1CCC1 ZINC000564586096 322035747 /nfs/dbraw/zinc/03/57/47/322035747.db2.gz OTDMDKNAWFNXLN-VIFPVBQESA-N -1 3 285.746 3.307 20 0 CGADHM C[C@H](c1ccco1)N(C(=O)/C=C\c1cncc([O-])c1)C1CC1 ZINC000255194823 377741759 /nfs/dbraw/zinc/74/17/59/377741759.db2.gz MZOIKQDYHLDBCU-DJFZKKHWSA-N -1 3 298.342 3.146 20 0 CGADHM Cc1nc2ccccc2c(N2C[C@H](C)C[C@H](C(=O)[O-])C2)c1C ZINC000263100660 377919764 /nfs/dbraw/zinc/91/97/64/377919764.db2.gz CUWBRVOEVVYQBY-RISCZKNCSA-N -1 3 298.386 3.399 20 0 CGADHM CCc1cc(NCCCC(=O)[O-])c2ccccc2n1 ZINC000263378948 377929489 /nfs/dbraw/zinc/92/94/89/377929489.db2.gz CAZKMQGZNCQDGC-UHFFFAOYSA-N -1 3 258.321 3.074 20 0 CGADHM C[C@@H]1CC[C@@H](C(=O)[O-])CN1Cc1cccc(Cl)c1 ZINC000263476291 377941483 /nfs/dbraw/zinc/94/14/83/377941483.db2.gz FKQKPGWZXAGTKJ-ZYHUDNBSSA-N -1 3 267.756 3.025 20 0 CGADHM Cc1nc(CNC[C@@H]2CCCC(C)(C)C2)sc1C(=O)[O-] ZINC000578199231 378045821 /nfs/dbraw/zinc/04/58/21/378045821.db2.gz CSAROCIJGFCEBD-LLVKDONJSA-N -1 3 296.436 3.456 20 0 CGADHM Cc1ccc(-c2nc(-c3ccc(O)c(C)c3)no2)c([O-])c1 ZINC000578720052 378093197 /nfs/dbraw/zinc/09/31/97/378093197.db2.gz LDVKIFOAFILNEO-UHFFFAOYSA-N -1 3 282.299 3.432 20 0 CGADHM Cc1ccc([C@H](C)N(C)Cc2ccc(C(=O)[O-])o2)cc1 ZINC000579723187 378188608 /nfs/dbraw/zinc/18/86/08/378188608.db2.gz YJVUOQUUFPFNPQ-LBPRGKRZSA-N -1 3 273.332 3.479 20 0 CGADHM CC(C)CN(CCC(=O)[O-])Cc1ccc(F)cc1Cl ZINC000579603546 378176762 /nfs/dbraw/zinc/17/67/62/378176762.db2.gz BMZYLRCYZVTUSM-UHFFFAOYSA-N -1 3 287.762 3.412 20 0 CGADHM O=C([O-])c1occc1CN1CCC[C@@]2(CC=CCC2)C1 ZINC000580955767 378271871 /nfs/dbraw/zinc/27/18/71/378271871.db2.gz PCYXDQPLEGMZEG-INIZCTEOSA-N -1 3 275.348 3.300 20 0 CGADHM C[C@@H]1CCN(CCc2c(F)cccc2Cl)C[C@H]1C(=O)[O-] ZINC000580713787 378251014 /nfs/dbraw/zinc/25/10/14/378251014.db2.gz KRUPWALWLOIQBO-ZYHUDNBSSA-N -1 3 299.773 3.064 20 0 CGADHM C[C@H]1CC[C@H](CCC(=O)Nc2ccc(Cl)cc2[O-])O1 ZINC000270031675 378297557 /nfs/dbraw/zinc/29/75/57/378297557.db2.gz GEMKRRKCLADBOM-GXSJLCMTSA-N -1 3 283.755 3.332 20 0 CGADHM CCCN(Cc1ccsc1C(=O)[O-])C[C@H]1CCCCO1 ZINC000583569909 378332561 /nfs/dbraw/zinc/33/25/61/378332561.db2.gz SUWSZQHFYUVJKJ-CYBMUJFWSA-N -1 3 297.420 3.227 20 0 CGADHM C[C@@H]1C[C@@H](c2ccccc2)CN1c1ccncc1C(=O)[O-] ZINC000583755174 378344792 /nfs/dbraw/zinc/34/47/92/378344792.db2.gz GVXJPUWITCCPBZ-TZMCWYRMSA-N -1 3 282.343 3.162 20 0 CGADHM CC[C@@H](CC(=O)Nc1nc(C)ccc1[O-])C(C)C ZINC000345925659 378410563 /nfs/dbraw/zinc/41/05/63/378410563.db2.gz KLLULLXYLXOIJC-NSHDSACASA-N -1 3 250.342 3.106 20 0 CGADHM Cc1ccc(CCCC(=O)Nc2nc(C)ccc2[O-])s1 ZINC000345933199 378413181 /nfs/dbraw/zinc/41/31/81/378413181.db2.gz SDEZGLVPVOLXLM-UHFFFAOYSA-N -1 3 290.388 3.427 20 0 CGADHM CC(C)c1coc([N-]C(=O)c2coc(C3CCC3)n2)n1 ZINC000637631623 378546366 /nfs/dbraw/zinc/54/63/66/378546366.db2.gz GFWCQVGKDFOJBZ-UHFFFAOYSA-N -1 3 275.308 3.306 20 0 CGADHM Cc1cc(C(=O)N2CC[C@H](c3cccc(F)c3)C2)ccc1[O-] ZINC000272394968 378627407 /nfs/dbraw/zinc/62/74/07/378627407.db2.gz HENMDRZUPJUCEG-HNNXBMFYSA-N -1 3 299.345 3.469 20 0 CGADHM COc1cc(C(=O)N(C)[C@H]2CCCC[C@H]2C)ccc1[O-] ZINC000272625813 378679441 /nfs/dbraw/zinc/67/94/41/378679441.db2.gz SHOBMLIIOZYFFZ-YPMHNXCESA-N -1 3 277.364 3.052 20 0 CGADHM CN(Cc1ccc(C(=O)[O-])c(Cl)c1)[C@@H]1CC1(C)C ZINC000566362549 322118781 /nfs/dbraw/zinc/11/87/81/322118781.db2.gz UOSZREYQYGREEW-GFCCVEGCSA-N -1 3 267.756 3.269 20 0 CGADHM CC1(C)CCC(CNCc2nc(C(=O)[O-])cs2)CC1 ZINC000277309664 379126561 /nfs/dbraw/zinc/12/65/61/379126561.db2.gz NHPKMWIIAMXJRC-UHFFFAOYSA-N -1 3 282.409 3.147 20 0 CGADHM CC(C)(CNCc1c(F)cccc1Cl)CC(=O)[O-] ZINC000277265378 379113974 /nfs/dbraw/zinc/11/39/74/379113974.db2.gz LBBVAVGORKBWSL-UHFFFAOYSA-N -1 3 273.735 3.070 20 0 CGADHM CC[C@H](NC(=O)c1csc(=O)[n-]1)c1ccc(C)cc1 ZINC000349325647 379231975 /nfs/dbraw/zinc/23/19/75/379231975.db2.gz SGWLWGTYZMNSKO-NSHDSACASA-N -1 3 276.361 3.038 20 0 CGADHM CCOc1cc(-c2noc(CO[C@@H](C)CC)n2)ccc1[O-] ZINC000277818267 379241242 /nfs/dbraw/zinc/24/12/42/379241242.db2.gz HDVUAWCAGNOZBO-JTQLQIEISA-N -1 3 292.335 3.156 20 0 CGADHM [O-]c1cc(F)cc(CNc2cnc3c(c2)CCCC3)c1 ZINC000349612005 379319353 /nfs/dbraw/zinc/31/93/53/379319353.db2.gz QDANHFCPZVLPGP-UHFFFAOYSA-N -1 3 272.323 3.417 20 0 CGADHM C[C@]1(c2ccccc2)CCN(C(=O)c2ccccc2[O-])C1 ZINC000374530565 379455358 /nfs/dbraw/zinc/45/53/58/379455358.db2.gz NCDLCQCWYJKDKL-SFHVURJKSA-N -1 3 281.355 3.196 20 0 CGADHM C[C@@H](CCNC(=O)NCc1ncccc1[O-])CC(C)(C)C ZINC000349953380 379456135 /nfs/dbraw/zinc/45/61/35/379456135.db2.gz BLCJHOLQCOFJHQ-LBPRGKRZSA-N -1 3 293.411 3.049 20 0 CGADHM COC(=O)c1ccc(-c2nc([C@@H]3CCC[C@@H](C)C3)no2)[n-]1 ZINC000350505212 379552910 /nfs/dbraw/zinc/55/29/10/379552910.db2.gz ARGHNFKMXAWFFS-NXEZZACHSA-N -1 3 289.335 3.145 20 0 CGADHM COC(=O)c1ccc(-c2nc([C@H](C)C(C)(C)C)no2)[n-]1 ZINC000350532034 379554520 /nfs/dbraw/zinc/55/45/20/379554520.db2.gz UTVUXODKKYOXQI-QMMMGPOBSA-N -1 3 277.324 3.001 20 0 CGADHM [O-]c1ccc(-c2noc(/C=C/c3ccncc3)n2)cc1 ZINC000350565196 379561794 /nfs/dbraw/zinc/56/17/94/379561794.db2.gz BWGRSRAPKDLHAM-LZCJLJQNSA-N -1 3 265.272 3.008 20 0 CGADHM COc1cnccc1-c1noc(/C=C/c2cccc([O-])c2)n1 ZINC000350920096 379612409 /nfs/dbraw/zinc/61/24/09/379612409.db2.gz FQHRUKWFRZCWRI-AATRIKPKSA-N -1 3 295.298 3.016 20 0 CGADHM [O-]c1ccc(C(F)(F)F)c(-c2nc(C3CC3)no2)c1 ZINC000280379213 379691794 /nfs/dbraw/zinc/69/17/94/379691794.db2.gz VPTVHZJSBWLXBW-UHFFFAOYSA-N -1 3 270.210 3.338 20 0 CGADHM CC[C@H](C)Oc1cccc(NC([O-])=NOCCSC)c1 ZINC000280498404 379718237 /nfs/dbraw/zinc/71/82/37/379718237.db2.gz KSLMJOWWLBQBIY-NSHDSACASA-N -1 3 298.408 3.280 20 0 CGADHM CC[C@H](C)Oc1cccc(NC(=O)[N-]OCCSC)c1 ZINC000280498404 379718242 /nfs/dbraw/zinc/71/82/42/379718242.db2.gz KSLMJOWWLBQBIY-NSHDSACASA-N -1 3 298.408 3.280 20 0 CGADHM CC[C@@H](C)Oc1ccc(NC([O-])=NOCCSC)cc1 ZINC000280555861 379731607 /nfs/dbraw/zinc/73/16/07/379731607.db2.gz PVQVVJKQQSMKNG-LLVKDONJSA-N -1 3 298.408 3.280 20 0 CGADHM CC[C@@H](C)Oc1ccc(NC(=O)[N-]OCCSC)cc1 ZINC000280555861 379731614 /nfs/dbraw/zinc/73/16/14/379731614.db2.gz PVQVVJKQQSMKNG-LLVKDONJSA-N -1 3 298.408 3.280 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)c1ccc2ccn(C)c2c1 ZINC000640472464 379804031 /nfs/dbraw/zinc/80/40/31/379804031.db2.gz BKHSBZMFVMIVMM-UHFFFAOYSA-N -1 3 296.374 3.007 20 0 CGADHM O=C([N-]c1ccc(-c2ccco2)cc1F)c1csnn1 ZINC000347744056 218342675 /nfs/dbraw/zinc/34/26/75/218342675.db2.gz TXKCRYURBKNPJK-UHFFFAOYSA-N -1 3 289.291 3.190 20 0 CGADHM Cc1cccc([O-])c1NC(=O)[C@H](C)Oc1ccc(F)cc1 ZINC000352647783 379890648 /nfs/dbraw/zinc/89/06/48/379890648.db2.gz QNMJKESOFSXBEW-NSHDSACASA-N -1 3 289.306 3.246 20 0 CGADHM Cc1scc(CNC(=O)c2ccc([O-])c(C)c2)c1C ZINC000399801488 379945332 /nfs/dbraw/zinc/94/53/32/379945332.db2.gz CZFPXPLXNKXSOB-UHFFFAOYSA-N -1 3 275.373 3.309 20 0 CGADHM CC[C@@H]1[C@H](C)CCN1Cc1c(F)ccc([O-])c1F ZINC000352944059 380051315 /nfs/dbraw/zinc/05/13/15/380051315.db2.gz FTOZYARNYIFVBU-BXKDBHETSA-N -1 3 255.308 3.291 20 0 CGADHM C[C@H](C1CCCCC1)N(C)C(=O)c1ccc(O)cc1[O-] ZINC000283686271 380081677 /nfs/dbraw/zinc/08/16/77/380081677.db2.gz TWRMOYUZADGKKV-LLVKDONJSA-N -1 3 277.364 3.139 20 0 CGADHM CC(=O)c1ccc([N-]S(=O)(=O)CCC2CCCC2)cc1 ZINC000641677953 380044461 /nfs/dbraw/zinc/04/44/61/380044461.db2.gz FYBMYQQWNKOULH-UHFFFAOYSA-N -1 3 295.404 3.211 20 0 CGADHM CCC(CC)CN(CC)C(=O)c1ccc([O-])c(OC)c1 ZINC000268065498 190373898 /nfs/dbraw/zinc/37/38/98/190373898.db2.gz HBVJDMNKGSQSKV-UHFFFAOYSA-N -1 3 279.380 3.299 20 0 CGADHM CC(C)(C)c1cnc(COc2ccc3c([O-])coc3c2)o1 ZINC000642608710 380179215 /nfs/dbraw/zinc/17/92/15/380179215.db2.gz MJLHEOBXBNQQEC-UHFFFAOYSA-N -1 3 287.315 3.126 20 0 CGADHM CCN(Cc1c(F)ccc([O-])c1F)CC1CCC1 ZINC000353266873 380198072 /nfs/dbraw/zinc/19/80/72/380198072.db2.gz LFPBFWIXOPFVCN-UHFFFAOYSA-N -1 3 255.308 3.292 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)Sc2ncccc2Cl)n1 ZINC000268306818 190394155 /nfs/dbraw/zinc/39/41/55/190394155.db2.gz GDMOZTJHEFFYJD-QMMMGPOBSA-N -1 3 281.768 3.392 20 0 CGADHM Cc1cc(CNCc2ncccc2[O-])ccc1C(F)(F)F ZINC000414447934 380241395 /nfs/dbraw/zinc/24/13/95/380241395.db2.gz QJZDMNKOQRGILI-UHFFFAOYSA-N -1 3 296.292 3.404 20 0 CGADHM COCC1CCC(NCc2cccc([O-])c2Cl)CC1 ZINC000414516811 380290916 /nfs/dbraw/zinc/29/09/16/380290916.db2.gz XWODURIXHJVQDD-UHFFFAOYSA-N -1 3 283.799 3.340 20 0 CGADHM C[C@@H](C(=O)[O-])N(C)Cc1cc(Cl)ccc1OCC1CC1 ZINC000414680912 380370592 /nfs/dbraw/zinc/37/05/92/380370592.db2.gz LVNNNMQOMGROQI-JTQLQIEISA-N -1 3 297.782 3.034 20 0 CGADHM CC(C)c1ccc(-c2nc(C3(N)CCCC3)no2)c([O-])c1 ZINC000414632285 380347453 /nfs/dbraw/zinc/34/74/53/380347453.db2.gz ZZGNVJLXVBSVPY-UHFFFAOYSA-N -1 3 287.363 3.294 20 0 CGADHM C[C@@H](CC(=O)[O-])NCc1c(Cl)oc2ccccc21 ZINC000414637876 380349207 /nfs/dbraw/zinc/34/92/07/380349207.db2.gz NEYDDXWDHITTSB-QMMMGPOBSA-N -1 3 267.712 3.039 20 0 CGADHM Cc1cc(F)ccc1-c1ccc(CN[C@H](C)CC(=O)[O-])o1 ZINC000414640443 380351081 /nfs/dbraw/zinc/35/10/81/380351081.db2.gz RSLZNOHFFTZKKX-LLVKDONJSA-N -1 3 291.322 3.347 20 0 CGADHM CCc1cc(C(=O)NCc2cc(C)ccc2OC)ccc1[O-] ZINC000643933561 380397641 /nfs/dbraw/zinc/39/76/41/380397641.db2.gz APPUBULSXHAYEY-UHFFFAOYSA-N -1 3 299.370 3.202 20 0 CGADHM CCc1cc(C(=O)N[C@@H]2CCCC2(C)C)ccc1[O-] ZINC000644015735 380408019 /nfs/dbraw/zinc/40/80/19/380408019.db2.gz OKRPMJYCOFLHDQ-CQSZACIVSA-N -1 3 261.365 3.263 20 0 CGADHM CCOc1cccc(NC(=O)c2ccc([O-])c(CC)c2)n1 ZINC000644008182 380408108 /nfs/dbraw/zinc/40/81/08/380408108.db2.gz BLOYIRBNHWHLBE-UHFFFAOYSA-N -1 3 286.331 3.001 20 0 CGADHM CCc1cc(C(=O)NC(C(C)C)C(C)C)ccc1[O-] ZINC000644038903 380409656 /nfs/dbraw/zinc/40/96/56/380409656.db2.gz VGHWKJFPEYQHJH-UHFFFAOYSA-N -1 3 263.381 3.365 20 0 CGADHM CSc1ccccc1NCc1cc(=O)[n-]c(C2CC2)n1 ZINC000417009469 380560052 /nfs/dbraw/zinc/56/00/52/380560052.db2.gz XSUWAXKETFPHFM-UHFFFAOYSA-N -1 3 287.388 3.394 20 0 CGADHM Cc1cccc(NCc2cc(=O)[n-]c(C3CC3)n2)c1F ZINC000417023036 380560482 /nfs/dbraw/zinc/56/04/82/380560482.db2.gz IFBSHHZPKDQFEK-UHFFFAOYSA-N -1 3 273.311 3.119 20 0 CGADHM CCc1cnc(CNCC2(CC(=O)[O-])CCCCC2)s1 ZINC000417542304 380635109 /nfs/dbraw/zinc/63/51/09/380635109.db2.gz DNJZHYPHWUPAKH-UHFFFAOYSA-N -1 3 296.436 3.220 20 0 CGADHM Cc1cc(F)c(CNCCC[C@@H](C)C(=O)[O-])c(Cl)c1 ZINC000417555074 380636821 /nfs/dbraw/zinc/63/68/21/380636821.db2.gz DMKRVJQCVXQPST-SNVBAGLBSA-N -1 3 287.762 3.378 20 0 CGADHM COc1ccc(CN[C@@H](CCC(=O)[O-])c2ccccc2)cc1 ZINC000417589376 380645422 /nfs/dbraw/zinc/64/54/22/380645422.db2.gz ALGKGLQTAXHMFY-KRWDZBQOSA-N -1 3 299.370 3.391 20 0 CGADHM CO[C@@H]1[C@@H](C)[C@@H](NCc2cccc([O-])c2Cl)C1(C)C ZINC000645171475 380603163 /nfs/dbraw/zinc/60/31/63/380603163.db2.gz KGXMKKNIOAGEEG-CUOATXAZSA-N -1 3 283.799 3.195 20 0 CGADHM O=C([O-])C1(CNCc2cc(Cl)sc2Cl)CC1 ZINC000417617638 380653076 /nfs/dbraw/zinc/65/30/76/380653076.db2.gz WPDQFDQMEMOFFX-UHFFFAOYSA-N -1 3 280.176 3.009 20 0 CGADHM O=C([O-])[C@H]1C[C@H](NCc2ccsc2)c2ccccc21 ZINC000417618889 380654070 /nfs/dbraw/zinc/65/40/70/380654070.db2.gz JWMHYDMRGVRWFC-KBPBESRZSA-N -1 3 273.357 3.151 20 0 CGADHM Cc1cc(C(F)(F)F)ccc1CN[C@H]1C=C[C@@H](C(=O)[O-])C1 ZINC000417622455 380654882 /nfs/dbraw/zinc/65/48/82/380654882.db2.gz OITBCKADRGYYTL-MFKMUULPSA-N -1 3 299.292 3.133 20 0 CGADHM Cc1ccc(CN[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)cc1 ZINC000417624179 380656330 /nfs/dbraw/zinc/65/63/30/380656330.db2.gz QFTZEMCWISGEJN-DLBZAZTESA-N -1 3 281.355 3.398 20 0 CGADHM CN(CCOC(C)(C)C)Cc1cccc([O-])c1Cl ZINC000646094913 380830992 /nfs/dbraw/zinc/83/09/92/380830992.db2.gz RTZGIYYBDAOJJM-UHFFFAOYSA-N -1 3 271.788 3.293 20 0 CGADHM O=C(NCC1(c2ccncc2)CCCC1)c1cccc([O-])c1 ZINC000357252389 381082120 /nfs/dbraw/zinc/08/21/20/381082120.db2.gz DVNDXZMAZUELMV-UHFFFAOYSA-N -1 3 296.370 3.029 20 0 CGADHM C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)c1cccc([O-])c1 ZINC000357301686 381097516 /nfs/dbraw/zinc/09/75/16/381097516.db2.gz GCHVZGRLYQLQSR-RISCZKNCSA-N -1 3 261.365 3.337 20 0 CGADHM CN(CC(C)(C)C)C(=O)Cc1ccc([O-])cc1Cl ZINC000357384907 381137773 /nfs/dbraw/zinc/13/77/73/381137773.db2.gz ZVHMLNODEPQTLU-UHFFFAOYSA-N -1 3 269.772 3.093 20 0 CGADHM CC[C@@H](NC(=O)c1cccc([O-])c1)c1nc2ccccc2[nH]1 ZINC000357436513 381156928 /nfs/dbraw/zinc/15/69/28/381156928.db2.gz WBLRQUVYEVEIIY-CYBMUJFWSA-N -1 3 295.342 3.150 20 0 CGADHM CCN(Cc1c(F)cccc1F)C(=O)c1cccc([O-])c1 ZINC000357442055 381161001 /nfs/dbraw/zinc/16/10/01/381161001.db2.gz KRKIHOATOOTZKM-UHFFFAOYSA-N -1 3 291.297 3.333 20 0 CGADHM CN(C(=O)c1c[n-]c2ccccc2c1=O)[C@H]1CCC(C)(C)C1 ZINC000334880744 207234696 /nfs/dbraw/zinc/23/46/96/207234696.db2.gz UQKJJGITDFZLHG-LBPRGKRZSA-N -1 3 298.386 3.179 20 0 CGADHM Cc1cc(C(F)(F)F)ccc1C[N-]C(=O)C(C)(F)F ZINC000289305737 197291813 /nfs/dbraw/zinc/29/18/13/197291813.db2.gz VWBGWTHBRFKCSH-UHFFFAOYSA-N -1 3 281.224 3.285 20 0 CGADHM Cc1cc(C)c(C(=O)[N-]c2nnc(-c3ccco3)s2)o1 ZINC000362906830 382142997 /nfs/dbraw/zinc/14/29/97/382142997.db2.gz YKZPCRVMTXLYAD-UHFFFAOYSA-N -1 3 289.316 3.260 20 0 CGADHM CC(C)C[C@@H](N[C@H](C)c1cccc(F)c1F)C(=O)[O-] ZINC000232613550 542305996 /nfs/dbraw/zinc/30/59/96/542305996.db2.gz FIFDZZDZDYEZBA-BXKDBHETSA-N -1 3 271.307 3.115 20 0 CGADHM Cc1ccc(CN2CCC[C@H](CC(=O)[O-])C2)c(Cl)c1 ZINC000235878178 542313741 /nfs/dbraw/zinc/31/37/41/542313741.db2.gz HDRJRMHXFKDMQU-GFCCVEGCSA-N -1 3 281.783 3.335 20 0 CGADHM O=C(NC[C@H]1Cc2ccccc21)c1cc([O-])ccc1Cl ZINC000236607570 542315141 /nfs/dbraw/zinc/31/51/41/542315141.db2.gz PANHRRMXVRFDKB-LLVKDONJSA-N -1 3 287.746 3.115 20 0 CGADHM O=C([N-]c1cc(F)cc(F)c1F)c1cc(C2CC2)on1 ZINC000335336249 208219783 /nfs/dbraw/zinc/21/97/83/208219783.db2.gz FPZUQCMHBIVKKC-UHFFFAOYSA-N -1 3 282.221 3.222 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)[C@H]2CCCOCC2)c1[O-] ZINC000335402849 208377682 /nfs/dbraw/zinc/37/76/82/208377682.db2.gz QZOZDGLPGMNEPP-JTQLQIEISA-N -1 3 283.755 3.109 20 0 CGADHM CCn1c(=O)[n-]nc1SCCCc1ccc(Cl)cc1 ZINC000353760602 220311423 /nfs/dbraw/zinc/31/14/23/220311423.db2.gz JPJSMCVCNJDSSF-UHFFFAOYSA-N -1 3 297.811 3.382 20 0 CGADHM CC[C@@H]([N-]C(=O)C(C)(F)F)c1ccc(F)cc1F ZINC000289320437 197295420 /nfs/dbraw/zinc/29/54/20/197295420.db2.gz XBVQVHAELOOMDQ-SNVBAGLBSA-N -1 3 263.234 3.187 20 0 CGADHM CCN(CC(F)F)C(=O)c1cc([O-])c2ccccc2c1 ZINC000279399621 542378896 /nfs/dbraw/zinc/37/88/96/542378896.db2.gz ANXXNFHLYIAKFK-UHFFFAOYSA-N -1 3 279.286 3.273 20 0 CGADHM CC1CC(NC(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000280416897 542381142 /nfs/dbraw/zinc/38/11/42/542381142.db2.gz PDCGQLZUABIWLU-UHFFFAOYSA-N -1 3 255.317 3.074 20 0 CGADHM Cc1ccc([O-])c(CNCc2ccc(C(F)F)cc2)n1 ZINC000274209724 542373150 /nfs/dbraw/zinc/37/31/50/542373150.db2.gz WHDJMFAJDJMKFF-UHFFFAOYSA-N -1 3 278.302 3.323 20 0 CGADHM CN(CCC1CC1)C(=O)c1cc([O-])c2ccccc2c1 ZINC000281503597 542383890 /nfs/dbraw/zinc/38/38/90/542383890.db2.gz IHDRYQOXZMDJDS-UHFFFAOYSA-N -1 3 269.344 3.418 20 0 CGADHM Cc1ccc(NC(=O)C(C)(C)C2CCOCC2)c([O-])c1 ZINC000281155398 195126309 /nfs/dbraw/zinc/12/63/09/195126309.db2.gz OUCAYUFZZDKVOH-UHFFFAOYSA-N -1 3 277.364 3.092 20 0 CGADHM Cc1noc(C)c1Cc1noc(/C=C/c2cccc([O-])c2)n1 ZINC000350476256 219027154 /nfs/dbraw/zinc/02/71/54/219027154.db2.gz HGXRXHXEZQRXGH-VOTSOKGWSA-N -1 3 297.314 3.141 20 0 CGADHM CCCc1nc(-c2noc(-c3cc(C)ccc3[O-])n2)co1 ZINC000289109672 197237210 /nfs/dbraw/zinc/23/72/10/197237210.db2.gz LNYSSBVQWXDONZ-UHFFFAOYSA-N -1 3 285.303 3.358 20 0 CGADHM COC[C@@H]([N-]c1nnc(C2CC2)o1)c1cccc(Cl)c1 ZINC000289088602 197232039 /nfs/dbraw/zinc/23/20/39/197232039.db2.gz OPKPIGNWQVGSSW-GFCCVEGCSA-N -1 3 293.754 3.400 20 0 CGADHM O=C(N=c1cc(-c2ccccc2)o[n-]1)c1cc[nH]c1C1CC1 ZINC000354113166 220555661 /nfs/dbraw/zinc/55/56/61/220555661.db2.gz RCCSQNFGSIOKSM-UHFFFAOYSA-N -1 3 293.326 3.221 20 0 CGADHM Cc1ccc([O-])c(CNCc2ccc(C(C)(F)F)cc2)n1 ZINC000292937340 542403195 /nfs/dbraw/zinc/40/31/95/542403195.db2.gz JNZKGKTWXWNWMG-UHFFFAOYSA-N -1 3 292.329 3.497 20 0 CGADHM C[C@@H]1CCN(Cc2ccc(C(=O)[O-])c(F)c2)[C@H](C)C1 ZINC000300119366 542411956 /nfs/dbraw/zinc/41/19/56/542411956.db2.gz DNCBBHZMJQJWII-GHMZBOCLSA-N -1 3 265.328 3.144 20 0 CGADHM CC1(F)CC(NC(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000334867059 542462969 /nfs/dbraw/zinc/46/29/69/542462969.db2.gz ZNAGINVKOHOYEU-UHFFFAOYSA-N -1 3 273.307 3.166 20 0 CGADHM CC(C)(CF)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000335350740 542467378 /nfs/dbraw/zinc/46/73/78/542467378.db2.gz NZQAIEKOGXGASV-UHFFFAOYSA-N -1 3 261.296 3.023 20 0 CGADHM COc1c2ccccc2[nH]c1C(=O)Nc1c(C)cccc1[O-] ZINC000354558329 220804995 /nfs/dbraw/zinc/80/49/95/220804995.db2.gz GPSDBUSFWZOTOV-UHFFFAOYSA-N -1 3 296.326 3.443 20 0 CGADHM O=C(Nc1ccc(Cl)cc1[O-])C1(CF)CCC1 ZINC000335485661 542469233 /nfs/dbraw/zinc/46/92/33/542469233.db2.gz NQJKMQDESPFZIY-UHFFFAOYSA-N -1 3 257.692 3.124 20 0 CGADHM c1ccc(-c2n[n-]nc2-c2nc([C@@H]3CCCS3)no2)cc1 ZINC000346959192 542510067 /nfs/dbraw/zinc/51/00/67/542510067.db2.gz ITXBQUHJBHMKBA-JTQLQIEISA-N -1 3 299.359 3.090 20 0 CGADHM COc1cc(-c2noc(-c3ccc(C)cc3[O-])n2)cc(C)n1 ZINC000436783356 533456123 /nfs/dbraw/zinc/45/61/23/533456123.db2.gz GRQKXINPNSAHNK-UHFFFAOYSA-N -1 3 297.314 3.130 20 0 CGADHM COc1cccc(C(=O)NC[C@H](C)c2cccc(C)c2)c1[O-] ZINC000436995541 533409290 /nfs/dbraw/zinc/40/92/90/533409290.db2.gz IUTXRZJWUTXGGB-ZDUSSCGKSA-N -1 3 299.370 3.243 20 0 CGADHM Cc1ccc(C(=O)Nc2cnn([C@@H](C)C3CC3)c2)c([O-])c1C ZINC000436817799 533619146 /nfs/dbraw/zinc/61/91/46/533619146.db2.gz YPDIQBJIABBSMF-LBPRGKRZSA-N -1 3 299.374 3.429 20 0 CGADHM Cc1ccc(C(=O)Nc2cccc3c[nH]nc32)c([O-])c1C ZINC000436752325 533614944 /nfs/dbraw/zinc/61/49/44/533614944.db2.gz ADHVNIRLPACZFZ-UHFFFAOYSA-N -1 3 281.315 3.138 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])c1ccc2n[nH]cc2c1 ZINC000533997840 288399053 /nfs/dbraw/zinc/39/90/53/288399053.db2.gz RJNINSFAUIEAIT-UHFFFAOYSA-N -1 3 287.706 3.174 20 0 CGADHM Cc1ccc(CN2C[C@H](C(=O)[O-])CC[C@H]2C)c(Cl)c1 ZINC000397514828 542617460 /nfs/dbraw/zinc/61/74/60/542617460.db2.gz ZPOVFDBHEAKDTR-DGCLKSJQSA-N -1 3 281.783 3.334 20 0 CGADHM Cc1csc(CNC(=O)c2ccc(C(C)C)cc2[O-])n1 ZINC000048520141 392003091 /nfs/dbraw/zinc/00/30/91/392003091.db2.gz VZZYUIQSMPNMCF-UHFFFAOYSA-N -1 3 290.388 3.211 20 0 CGADHM Cc1ccc(C(=O)N2CCc3ccccc32)c([O-])c1C ZINC000048552627 392003107 /nfs/dbraw/zinc/00/31/07/392003107.db2.gz MYDIGRJBJBPUDD-UHFFFAOYSA-N -1 3 267.328 3.212 20 0 CGADHM Cc1ccc(CNC(=O)c2ccc(C)c(C)c2[O-])s1 ZINC000048600121 392005628 /nfs/dbraw/zinc/00/56/28/392005628.db2.gz VWDDHWGPQXRMNU-UHFFFAOYSA-N -1 3 275.373 3.309 20 0 CGADHM CC(C)[C@@H](C)N(C)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000030149378 391959963 /nfs/dbraw/zinc/95/99/63/391959963.db2.gz PHSMDHKJHADBSC-LLVKDONJSA-N -1 3 299.374 3.146 20 0 CGADHM CC(C)(C)CC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000030372045 391960031 /nfs/dbraw/zinc/96/00/31/391960031.db2.gz GWMFHXTZXDTPRH-UHFFFAOYSA-N -1 3 281.830 3.116 20 0 CGADHM O=C([O-])[C@H]1CC12CCN(Cc1ccccc1Cl)CC2 ZINC000049876334 392058236 /nfs/dbraw/zinc/05/82/36/392058236.db2.gz VPBHRJULVVXXIC-GFCCVEGCSA-N -1 3 279.767 3.027 20 0 CGADHM CN(CCCc1ccccc1)C(=O)c1ccccc1[O-] ZINC000060673202 392124298 /nfs/dbraw/zinc/12/42/98/392124298.db2.gz JMZUDSZFASQJMS-UHFFFAOYSA-N -1 3 269.344 3.097 20 0 CGADHM COc1cccc(C(=O)N2CCC[C@H](C(C)C)CC2)c1[O-] ZINC000071029139 392186783 /nfs/dbraw/zinc/18/67/83/392186783.db2.gz MZCHLQLKQAOCAP-ZDUSSCGKSA-N -1 3 291.391 3.299 20 0 CGADHM CC(C)Oc1ccccc1C[S@@](=O)c1ccc([O-])cc1 ZINC000108086537 392336025 /nfs/dbraw/zinc/33/60/25/392336025.db2.gz YFVZNLHZCLLVCK-FQEVSTJZSA-N -1 3 290.384 3.487 20 0 CGADHM COc1ccc(NC(=O)c2cccc3cnccc32)c([O-])c1 ZINC000442705348 542666004 /nfs/dbraw/zinc/66/60/04/542666004.db2.gz MQXZJCMFEJCLPG-UHFFFAOYSA-N -1 3 294.310 3.201 20 0 CGADHM COc1ccc(NC(=O)[C@H](C)CC(C)(C)C)c([O-])c1 ZINC000443568047 542667381 /nfs/dbraw/zinc/66/73/81/542667381.db2.gz QULDALIYDGIKAM-SNVBAGLBSA-N -1 3 265.353 3.412 20 0 CGADHM C[C@@H](C(=O)Nc1ccc(Cl)cc1[O-])N1[C@H](C)CC[C@H]1C ZINC000153483772 392519396 /nfs/dbraw/zinc/51/93/96/392519396.db2.gz YHZCVFGXZVNRRX-MXWKQRLJSA-N -1 3 296.798 3.245 20 0 CGADHM Cc1noc(C)c1CNC(=O)c1cc([O-])c2ccccc2c1 ZINC000471885938 542702404 /nfs/dbraw/zinc/70/24/04/542702404.db2.gz LIFINBRPZQQJKK-UHFFFAOYSA-N -1 3 296.326 3.080 20 0 CGADHM CCSc1ccc(CC(=O)[N-]OC/C=C/Cl)cc1 ZINC000291844774 392491465 /nfs/dbraw/zinc/49/14/65/392491465.db2.gz NTLDKHJEZLOHKO-FPYGCLRLSA-N -1 3 285.796 3.141 20 0 CGADHM CCc1cccc(C)c1NC(=O)c1ccc2n[n-]nc2c1 ZINC000170224438 392612688 /nfs/dbraw/zinc/61/26/88/392612688.db2.gz JNTPSFSWRYFTPD-UHFFFAOYSA-N -1 3 280.331 3.081 20 0 CGADHM CC[C@H](CC(F)F)C(=O)Nc1ccc(C)cc1[O-] ZINC000457403445 392633598 /nfs/dbraw/zinc/63/35/98/392633598.db2.gz KHRZEEKPKMAAGK-SECBINFHSA-N -1 3 257.280 3.321 20 0 CGADHM COc1ccc([O-])c(C(=O)N2CC[C@@H](CC(C)(C)C)C2)c1 ZINC000307775291 392655089 /nfs/dbraw/zinc/65/50/89/392655089.db2.gz NAZMMYKPERTDFY-LBPRGKRZSA-N -1 3 291.391 3.299 20 0 CGADHM Cc1cc(CN2CCC(C)(C(=O)[O-])CC2)ccc1Cl ZINC000647464453 392729170 /nfs/dbraw/zinc/72/91/70/392729170.db2.gz RXKDIQRNVLEKGP-UHFFFAOYSA-N -1 3 281.783 3.335 20 0 CGADHM O=C(/C=C/c1cncc([O-])c1)Nc1ccc2scnc2c1 ZINC000181955909 392739398 /nfs/dbraw/zinc/73/93/98/392739398.db2.gz VOCQHBGKWVGMJT-DAFODLJHSA-N -1 3 297.339 3.049 20 0 CGADHM CCCCCN(C(=O)c1cc(C)nc(=O)[n-]1)[C@@H](C)CCC ZINC000509319714 392744557 /nfs/dbraw/zinc/74/45/57/392744557.db2.gz CWUCWTQPRCMIRG-ZDUSSCGKSA-N -1 3 293.411 3.312 20 0 CGADHM CCC(C)(C)OCC(=O)Nc1ccc(Cl)cc1[O-] ZINC000457661395 392723417 /nfs/dbraw/zinc/72/34/17/392723417.db2.gz HDFDHXVAFWBDRH-UHFFFAOYSA-N -1 3 271.744 3.189 20 0 CGADHM C[C@@H]1CCN(C(=O)C2CC=CC2)c2c([O-])cccc21 ZINC000186294415 392780788 /nfs/dbraw/zinc/78/07/88/392780788.db2.gz KXVRXCRVRCOPKS-LLVKDONJSA-N -1 3 257.333 3.199 20 0 CGADHM CC(C)Oc1ccc(N(C)C(=O)c2cccc([O-])c2)cc1 ZINC000192265628 392845659 /nfs/dbraw/zinc/84/56/59/392845659.db2.gz FZYLJDLBYXJLGT-UHFFFAOYSA-N -1 3 285.343 3.456 20 0 CGADHM CC1=CCN([C@H](C(=O)[O-])c2ccccc2C(F)(F)F)CC1 ZINC000514610337 392857635 /nfs/dbraw/zinc/85/76/35/392857635.db2.gz WAEYQOBXMUKRNO-ZDUSSCGKSA-N -1 3 299.292 3.483 20 0 CGADHM CO[C@H](C)c1nsc(Sc2ccccc2[O-])n1 ZINC000383077826 392922079 /nfs/dbraw/zinc/92/20/79/392922079.db2.gz SFFJSTOFAVOTGO-SSDOTTSWSA-N -1 3 268.363 3.102 20 0 CGADHM O=c1[n-]c(-c2cnc3ccsc3c2)nc2cccnc21 ZINC000491607143 542718103 /nfs/dbraw/zinc/71/81/03/542718103.db2.gz LTQCYVZLDXIVFI-UHFFFAOYSA-N -1 3 280.312 3.007 20 0 CGADHM Cc1cc(C)c(Cc2nc3cccnc3c(=O)[n-]2)c(C)c1 ZINC000491763482 542718219 /nfs/dbraw/zinc/71/82/19/542718219.db2.gz TXSZQOIUCBLUFK-UHFFFAOYSA-N -1 3 279.343 3.246 20 0 CGADHM Cc1cccc(C(=O)NCc2cc3ccccc3o2)c1[O-] ZINC000195624748 392971236 /nfs/dbraw/zinc/97/12/36/392971236.db2.gz JVTHEJJTAHVRSG-UHFFFAOYSA-N -1 3 281.311 3.377 20 0 CGADHM Cc1ccc(-c2nc(CCC3CC3)no2)c([O-])c1C ZINC000545821705 393008620 /nfs/dbraw/zinc/00/86/20/393008620.db2.gz XGUKDURUJOVHNN-UHFFFAOYSA-N -1 3 258.321 3.402 20 0 CGADHM CCOc1ncccc1NC(=O)c1cc([O-])ccc1Cl ZINC000346145408 393076190 /nfs/dbraw/zinc/07/61/90/393076190.db2.gz CMZLMGYFFSXXFM-UHFFFAOYSA-N -1 3 292.722 3.092 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)[C@H]2C[C@H]2C(C)C)c1-c1ccccc1 ZINC000547533882 393129811 /nfs/dbraw/zinc/12/98/11/393129811.db2.gz ACFYAUIERZCRCR-KBPBESRZSA-N -1 3 283.375 3.038 20 0 CGADHM CC(C)(C)c1nc(C=Cc2cncs2)cc(=O)[n-]1 ZINC000470255760 393234914 /nfs/dbraw/zinc/23/49/14/393234914.db2.gz REEBUPFIDRAGSB-SNAWJCMRSA-N -1 3 261.350 3.107 20 0 CGADHM CC(=O)c1cccc(NC(=O)[C@@H](C)C2CCCC2)c1[O-] ZINC000648904313 393286628 /nfs/dbraw/zinc/28/66/28/393286628.db2.gz GJKWJGGGOPJCRA-JTQLQIEISA-N -1 3 275.348 3.360 20 0 CGADHM COCC1(CCNC(=O)c2ccc(C(C)C)cc2[O-])CC1 ZINC000648964269 393302335 /nfs/dbraw/zinc/30/23/35/393302335.db2.gz RJJHXBSSWNTMOL-UHFFFAOYSA-N -1 3 291.391 3.062 20 0 CGADHM Cc1cc(C(=O)N2CC[C@H](C)c3cccc([O-])c32)ns1 ZINC000278031793 393315641 /nfs/dbraw/zinc/31/56/41/393315641.db2.gz USODTFSEYLAHJB-VIFPVBQESA-N -1 3 288.372 3.311 20 0 CGADHM COc1ccc(NC(=O)[C@@]2(C)CCc3ccccc32)c([O-])c1 ZINC000648873797 393280123 /nfs/dbraw/zinc/28/01/23/393280123.db2.gz JHIZHRGPPGXYLP-SFHVURJKSA-N -1 3 297.354 3.243 20 0 CGADHM COc1ccc(NC(=O)[C@]2(C)CCc3ccccc32)c([O-])c1 ZINC000648873796 393280264 /nfs/dbraw/zinc/28/02/64/393280264.db2.gz JHIZHRGPPGXYLP-GOSISDBHSA-N -1 3 297.354 3.243 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)c1cccc2c1CCC2 ZINC000649232588 393380693 /nfs/dbraw/zinc/38/06/93/393380693.db2.gz HRNYITMGULDKJD-UHFFFAOYSA-N -1 3 283.375 3.004 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@H]1CCCc2ccccc21 ZINC000649233161 393380911 /nfs/dbraw/zinc/38/09/11/393380911.db2.gz BKENUHJLXZNCJS-HNNXBMFYSA-N -1 3 297.402 3.322 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)C(C1CCC1)C1CCC1 ZINC000649228792 393376713 /nfs/dbraw/zinc/37/67/13/393376713.db2.gz ABKRTOCXRKUFLD-UHFFFAOYSA-N -1 3 289.423 3.418 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)c1cc(C)c(F)cc1F ZINC000649231444 393379358 /nfs/dbraw/zinc/37/93/58/393379358.db2.gz VVOZQDDAXAIFJR-UHFFFAOYSA-N -1 3 293.317 3.102 20 0 CGADHM CC(C)(C)c1nc(CNC[C@H](CC2CC2)C(=O)[O-])cs1 ZINC000649511596 393464833 /nfs/dbraw/zinc/46/48/33/393464833.db2.gz LASOTRASVRXDPW-NSHDSACASA-N -1 3 296.436 3.031 20 0 CGADHM CC[C@H](C)[C@H](OC)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000356560987 393484554 /nfs/dbraw/zinc/48/45/54/393484554.db2.gz BDGCSAYRTPZEEE-UFBFGSQYSA-N -1 3 271.744 3.045 20 0 CGADHM CC[C@@H](CS(=O)(=O)[N-]c1cccc(C2CCC2)c1)OC ZINC000421162830 393592774 /nfs/dbraw/zinc/59/27/74/393592774.db2.gz GNPTTWUJELNOFA-HNNXBMFYSA-N -1 3 297.420 3.121 20 0 CGADHM CCOc1cc(-c2noc([C@]3(C)CC3(F)F)n2)ccc1[O-] ZINC000421304954 393602440 /nfs/dbraw/zinc/60/24/40/393602440.db2.gz WERQGYSKMYXHKM-ZDUSSCGKSA-N -1 3 296.273 3.138 20 0 CGADHM Cc1nsc(C)c1C(=O)[N-]c1nnc(C(C)(C)C)s1 ZINC000432412317 393611118 /nfs/dbraw/zinc/61/11/18/393611118.db2.gz BKJWNVRTOKXFIG-UHFFFAOYSA-N -1 3 296.421 3.161 20 0 CGADHM Cc1ccc(NC(=O)/C=C\c2cnccc2C)c([O-])c1 ZINC000492455353 393737283 /nfs/dbraw/zinc/73/72/83/393737283.db2.gz HZMAALQVZLGLQK-XQRVVYSFSA-N -1 3 268.316 3.056 20 0 CGADHM CC(=O)c1cccc(NC(=O)C=Cc2cccc([O-])c2)c1 ZINC000492484175 393742368 /nfs/dbraw/zinc/74/23/68/393742368.db2.gz BJOYTBVJDHOJKQ-HJWRWDBZSA-N -1 3 281.311 3.247 20 0 CGADHM Cc1ccc(C(=O)N[C@H](CC(F)(F)F)C(C)C)c([O-])c1 ZINC000438606828 393727007 /nfs/dbraw/zinc/72/70/07/393727007.db2.gz JSLGLEPENIUIFW-LLVKDONJSA-N -1 3 289.297 3.407 20 0 CGADHM Cc1cc(C(=O)NCCc2cc3ccccc3[nH]2)ccc1[O-] ZINC000498528484 393782752 /nfs/dbraw/zinc/78/27/52/393782752.db2.gz UWKVWZJKMOHMPD-UHFFFAOYSA-N -1 3 294.354 3.154 20 0 CGADHM CC(C)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccco2)CC1 ZINC000445713150 393818701 /nfs/dbraw/zinc/81/87/01/393818701.db2.gz ALCMUMCUTFITEF-OLZOCXBDSA-N -1 3 285.409 3.163 20 0 CGADHM CSc1cc(C)c(C(=O)[N-]c2c(C)noc2C)o1 ZINC000667367545 542864531 /nfs/dbraw/zinc/86/45/31/542864531.db2.gz PMWSJAKBSJMHOG-UHFFFAOYSA-N -1 3 266.322 3.167 20 0 CGADHM C[C@@H]1CCC[C@H](C)N(C(=O)Cc2ccc([O-])c(F)c2)C1 ZINC000449936427 393947167 /nfs/dbraw/zinc/94/71/67/393947167.db2.gz DAHBCIRVSCIDDQ-NEPJUHHUSA-N -1 3 279.355 3.111 20 0 CGADHM CC[C@@H]1CCC[C@H]1C(=O)Nc1nnc(-c2ccc(C)o2)[n-]1 ZINC000450144053 393985048 /nfs/dbraw/zinc/98/50/48/393985048.db2.gz YWFPPESMZJYGHC-GHMZBOCLSA-N -1 3 288.351 3.138 20 0 CGADHM CC[C@@H]1CCC[C@H]1C(=O)Nc1nc(-c2ccc(C)o2)n[n-]1 ZINC000450144053 393985050 /nfs/dbraw/zinc/98/50/50/393985050.db2.gz YWFPPESMZJYGHC-GHMZBOCLSA-N -1 3 288.351 3.138 20 0 CGADHM CC[C@@H]1CCC[C@H]1C(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC000450144053 393985054 /nfs/dbraw/zinc/98/50/54/393985054.db2.gz YWFPPESMZJYGHC-GHMZBOCLSA-N -1 3 288.351 3.138 20 0 CGADHM C[C@H]1CC[C@]2(CCN(C(=O)Cc3ccc([O-])c(F)c3)C2)C1 ZINC000450526959 394010644 /nfs/dbraw/zinc/01/06/44/394010644.db2.gz XCDYHNPREWIFPT-SJCJKPOMSA-N -1 3 291.366 3.113 20 0 CGADHM CCCCc1cnc(NCc2c(F)ccc([O-])c2F)nc1 ZINC000453053112 394153851 /nfs/dbraw/zinc/15/38/51/394153851.db2.gz OHYZPIVXSJQKHF-UHFFFAOYSA-N -1 3 293.317 3.415 20 0 CGADHM Cc1ccc(CCNCc2cccc([O-])c2Cl)nc1 ZINC000453593413 394252634 /nfs/dbraw/zinc/25/26/34/394252634.db2.gz AAHSZYYBBKXIES-UHFFFAOYSA-N -1 3 276.767 3.081 20 0 CGADHM C[C@H](CC(C)(C)C)NC(=O)c1c[n-]c2ccccc2c1=O ZINC000457235727 394334729 /nfs/dbraw/zinc/33/47/29/394334729.db2.gz ULQBMHKKARQATH-LLVKDONJSA-N -1 3 286.375 3.083 20 0 CGADHM Cc1ccc(C(=O)N2CCCC[C@H]2C(F)F)c([O-])c1C ZINC000436506734 292051992 /nfs/dbraw/zinc/05/19/92/292051992.db2.gz CUGHEBYOGPHUFG-LBPRGKRZSA-N -1 3 283.318 3.269 20 0 CGADHM Cc1ccc(C(=O)N2CCC[C@@H]3CCC[C@H]32)c([O-])c1 ZINC000087777692 292053856 /nfs/dbraw/zinc/05/38/56/292053856.db2.gz AQPUGQMRMMRJOZ-GXTWGEPZSA-N -1 3 259.349 3.105 20 0 CGADHM CSc1ccc([O-])c(C(=O)N2C[C@@H](C)S[C@H](C)C2)c1 ZINC000669277730 543099138 /nfs/dbraw/zinc/09/91/38/543099138.db2.gz YUXJRRBEENKAMO-NXEZZACHSA-N -1 3 297.445 3.080 20 0 CGADHM CC(C)(C)c1nnc([N-]C(=O)c2occ3c2CCC3)s1 ZINC000671665001 543175961 /nfs/dbraw/zinc/17/59/61/543175961.db2.gz YQARHDNYWBGSCI-UHFFFAOYSA-N -1 3 291.376 3.170 20 0 CGADHM Cc1ccc(C(=O)Nc2ncc(Cl)s2)c([O-])c1C ZINC000673937896 543260058 /nfs/dbraw/zinc/26/00/58/543260058.db2.gz HIMKARAZAZCYGC-UHFFFAOYSA-N -1 3 282.752 3.371 20 0 CGADHM CCC[C@H](CC)S(=O)(=O)[N-]c1cccc(C)c1O ZINC000650185062 397799412 /nfs/dbraw/zinc/79/94/12/397799412.db2.gz MKKGHDJICYURAP-NSHDSACASA-N -1 3 271.382 3.021 20 0 CGADHM CCOc1c(Cl)cccc1CN(C)[C@H](CC)C(=O)[O-] ZINC000650806193 397927196 /nfs/dbraw/zinc/92/71/96/397927196.db2.gz SSOZROOUUKVATP-GFCCVEGCSA-N -1 3 285.771 3.034 20 0 CGADHM CCc1cccc(C(=O)N2CC[C@@H](c3ccco3)C2)c1[O-] ZINC000674361346 543283412 /nfs/dbraw/zinc/28/34/12/543283412.db2.gz JXEAYTITNYSYMJ-CYBMUJFWSA-N -1 3 285.343 3.177 20 0 CGADHM Cc1cc(-c2nc3ccccc3c(=O)[n-]2)cc(C)c1F ZINC000675222097 543322835 /nfs/dbraw/zinc/32/28/35/543322835.db2.gz DTVSJLMSVJQSPP-UHFFFAOYSA-N -1 3 268.291 3.346 20 0 CGADHM Cc1ccc(NC(=O)[C@@H]2CCN(C)c3ccccc32)c([O-])c1 ZINC000676829802 543420393 /nfs/dbraw/zinc/42/03/93/543420393.db2.gz UVGWSFDZWTWYKW-CQSZACIVSA-N -1 3 296.370 3.263 20 0 CGADHM CO[C@H](CC(C)C)C(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000416205071 285979379 /nfs/dbraw/zinc/97/93/79/285979379.db2.gz REMUMEAPAFNFAL-SWLSCSKDSA-N -1 3 291.391 3.294 20 0 CGADHM O=C(CNc1ccccc1Cl)Nc1cccc([O-])c1F ZINC000677801436 543466078 /nfs/dbraw/zinc/46/60/78/543466078.db2.gz QNMLWTNFRYHCCD-UHFFFAOYSA-N -1 3 294.713 3.235 20 0 CGADHM Cc1ccc(C(=O)N2CCC[C@@H]2C2CC2)c([O-])c1C ZINC000678310818 543513836 /nfs/dbraw/zinc/51/38/36/543513836.db2.gz RQFXLGXGWQNZLJ-CQSZACIVSA-N -1 3 259.349 3.024 20 0 CGADHM C[C@H]1CC(NC(=O)Cc2ccc([O-])c(F)c2)C[C@H](C)C1 ZINC000449918592 299722968 /nfs/dbraw/zinc/72/29/68/299722968.db2.gz ZWLXEFVMNNLCBC-GHMZBOCLSA-N -1 3 279.355 3.015 20 0 CGADHM COc1ccc([O-])c(C(=O)N2CCC[C@H](C(C)(C)C)C2)c1 ZINC000478456239 286337567 /nfs/dbraw/zinc/33/75/67/286337567.db2.gz BVQYPDKSUXMZAH-LBPRGKRZSA-N -1 3 291.391 3.299 20 0 CGADHM CC[C@@H](C)[C@H](C)C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000558411607 289493195 /nfs/dbraw/zinc/49/31/95/289493195.db2.gz JKMUGTBXRXOAQD-ZJUUUORDSA-N -1 3 263.337 3.216 20 0 CGADHM COc1ccc([O-])c(C(=O)N(C)CC2CCCCC2)c1 ZINC000047868300 286900100 /nfs/dbraw/zinc/90/01/00/286900100.db2.gz QUKAJSOIDXRRAA-UHFFFAOYSA-N -1 3 277.364 3.053 20 0 CGADHM CC(C)CO[C@H](C)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000049138168 286918596 /nfs/dbraw/zinc/91/85/96/286918596.db2.gz MTCRLGGCSULOON-SECBINFHSA-N -1 3 271.744 3.045 20 0 CGADHM Cc1ccc(C[C@@H](C)NC(=O)c2cccc(C)c2[O-])s1 ZINC000080247463 287064141 /nfs/dbraw/zinc/06/41/41/287064141.db2.gz GKGZXQPLJKTPPO-LLVKDONJSA-N -1 3 289.400 3.432 20 0 CGADHM CCCSCC(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000081458788 287073341 /nfs/dbraw/zinc/07/33/41/287073341.db2.gz KBZMAZSGBXPQAS-UHFFFAOYSA-N -1 3 293.310 3.493 20 0 CGADHM CCCc1ccc(S(=O)(=O)[N-]c2ccnc(C)c2)cc1 ZINC000074934656 165095864 /nfs/dbraw/zinc/09/58/64/165095864.db2.gz SIFXDZXFBZBQOO-UHFFFAOYSA-N -1 3 290.388 3.143 20 0 CGADHM CN(C(=O)c1c[n-]nc1-c1ccccc1)c1ccccc1 ZINC000078302077 165128832 /nfs/dbraw/zinc/12/88/32/165128832.db2.gz PVFLSPAIFFQNMB-UHFFFAOYSA-N -1 3 277.327 3.353 20 0 CGADHM COc1cccc(C(=O)N2CCC[C@@H]2c2ccccc2)c1[O-] ZINC000078569607 165131971 /nfs/dbraw/zinc/13/19/71/165131971.db2.gz KHZPXCDEBHLVHL-OAHLLOKOSA-N -1 3 297.354 3.378 20 0 CGADHM Cc1ccc([O-])c(CN([C@H](C)c2ccco2)C2CC2)n1 ZINC000092483462 165299281 /nfs/dbraw/zinc/29/92/81/165299281.db2.gz VHEDQLPOCKWDBB-GFCCVEGCSA-N -1 3 272.348 3.414 20 0 CGADHM Cc1cccc2[nH]cc(CC(=O)Nc3ccccc3[O-])c21 ZINC000103519682 165423644 /nfs/dbraw/zinc/42/36/44/165423644.db2.gz HTFDTOWHSJTGCP-UHFFFAOYSA-N -1 3 280.327 3.363 20 0 CGADHM CCc1nc([C@@H](C)NC(=O)c2ccc(C)cc2[O-])cs1 ZINC000110503813 287131703 /nfs/dbraw/zinc/13/17/03/287131703.db2.gz XPDOYARHFNXJCA-SNVBAGLBSA-N -1 3 290.388 3.211 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CCCC(C)(C)C2)c1 ZINC000112727619 287144652 /nfs/dbraw/zinc/14/46/52/287144652.db2.gz KDKRGCIXNNBFRD-UHFFFAOYSA-N -1 3 261.365 3.217 20 0 CGADHM Cc1ccc(C(=O)N2CC[C@@H](C)C[C@H](C)C2)c([O-])c1 ZINC000119315586 287167967 /nfs/dbraw/zinc/16/79/67/287167967.db2.gz ZQVDPULTNHHUFA-OLZOCXBDSA-N -1 3 261.365 3.209 20 0 CGADHM CCOc1ccccc1N(C)C(=O)c1ccc(C)cc1[O-] ZINC000121285392 287195869 /nfs/dbraw/zinc/19/58/69/287195869.db2.gz QIJWNYZMYCQBBZ-UHFFFAOYSA-N -1 3 285.343 3.376 20 0 CGADHM Cc1conc1[N-]C(=O)c1cnc(Cc2ccccc2)s1 ZINC000123346557 287218919 /nfs/dbraw/zinc/21/89/19/287218919.db2.gz VNPSYERUXYBIGD-UHFFFAOYSA-N -1 3 299.355 3.283 20 0 CGADHM O=C(CCCc1ccccc1)[N-]OCCCCCF ZINC000284557986 196083312 /nfs/dbraw/zinc/08/33/12/196083312.db2.gz WGHRAPQECSEVPL-UHFFFAOYSA-N -1 3 267.344 3.197 20 0 CGADHM O=C(Nc1cc(Br)ccc1[O-])[C@H]1C[C@@H]1C1CC1 ZINC000126541563 287267299 /nfs/dbraw/zinc/26/72/99/287267299.db2.gz XFYJXWUZBFIFTL-ZJUUUORDSA-N -1 3 296.164 3.139 20 0 CGADHM CSc1cccc(F)c1CNCc1nc(C)ccc1[O-] ZINC000285679539 196364884 /nfs/dbraw/zinc/36/48/84/196364884.db2.gz URVWISYLQZUMNP-UHFFFAOYSA-N -1 3 292.379 3.246 20 0 CGADHM O=C(CCC1CCCC1)Nc1cccc([O-])c1F ZINC000128276018 287307669 /nfs/dbraw/zinc/30/76/69/287307669.db2.gz LHLGELBDOAQVKS-UHFFFAOYSA-N -1 3 251.301 3.440 20 0 CGADHM Cc1cccc([O-])c1NC(=O)/C=C/c1ccc(O)cc1 ZINC000128443686 287311209 /nfs/dbraw/zinc/31/12/09/287311209.db2.gz DQEOMOZPNKZLCT-JXMROGBWSA-N -1 3 269.300 3.058 20 0 CGADHM Cc1ccc(CCC(=O)Nc2cccc([O-])c2F)o1 ZINC000128358215 287309381 /nfs/dbraw/zinc/30/93/81/287309381.db2.gz MEGVXALVZWMSIO-UHFFFAOYSA-N -1 3 263.268 3.004 20 0 CGADHM CSc1nc(C(=O)Nc2ccccc2[O-])c2ccccn21 ZINC000128612250 287314886 /nfs/dbraw/zinc/31/48/86/287314886.db2.gz IDIASOIFKJREBG-UHFFFAOYSA-N -1 3 299.355 3.014 20 0 CGADHM C[C@@H]1CCC[C@@H](C(=O)Nc2cccc([O-])c2F)C1 ZINC000129366425 287329712 /nfs/dbraw/zinc/32/97/12/287329712.db2.gz LWIIGIFONRMCPT-NXEZZACHSA-N -1 3 251.301 3.296 20 0 CGADHM O=C(CCc1ccc(F)cc1F)Nc1cccc([O-])c1F ZINC000129400536 287330431 /nfs/dbraw/zinc/33/04/31/287330431.db2.gz WUQFDWLVFFNAOL-UHFFFAOYSA-N -1 3 295.260 3.381 20 0 CGADHM Cc1ccc(F)c([N-]S(=O)(=O)c2cc(F)ccc2C)c1 ZINC000048653283 416455526 /nfs/dbraw/zinc/45/55/26/416455526.db2.gz KEWZSTVAMWSANU-UHFFFAOYSA-N -1 3 297.326 3.382 20 0 CGADHM Cc1cc(N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)c2ccccc2n1 ZINC000314848139 416537344 /nfs/dbraw/zinc/53/73/44/416537344.db2.gz MGQNMEQPUKYYAY-WCQYABFASA-N -1 3 284.359 3.090 20 0 CGADHM COC[C@@H](C)Cc1noc(-c2cc3ccccc3cc2[O-])n1 ZINC000404189829 416550466 /nfs/dbraw/zinc/55/04/66/416550466.db2.gz DJORRJJPMBIDJZ-NSHDSACASA-N -1 3 298.342 3.420 20 0 CGADHM CCN1CCc2ccc(NC(=O)c3ccc([O-])c(C)c3)cc21 ZINC000679408411 543636112 /nfs/dbraw/zinc/63/61/12/543636112.db2.gz AEMYGRAKKXYSIV-UHFFFAOYSA-N -1 3 296.370 3.335 20 0 CGADHM O=C(CC/C=C/c1ccccc1)Nc1ncccc1[O-] ZINC000130198984 287346912 /nfs/dbraw/zinc/34/69/12/287346912.db2.gz UVAMPWPEPSKVEE-RUDMXATFSA-N -1 3 268.316 3.219 20 0 CGADHM Cc1cc(NC(=O)c2cccc(C)c2[O-])nn1[C@@H](C)C1CC1 ZINC000680044307 543679255 /nfs/dbraw/zinc/67/92/55/543679255.db2.gz ZYAIPGRNYJBRPZ-LBPRGKRZSA-N -1 3 299.374 3.429 20 0 CGADHM COc1cc(C)cc(-c2nc(C3CCC3)no2)c1[O-] ZINC000680695760 543727012 /nfs/dbraw/zinc/72/70/12/543727012.db2.gz QUGWTMKLDZNYLI-UHFFFAOYSA-N -1 3 260.293 3.027 20 0 CGADHM CCc1cc(C)c(C(=O)Nc2cc(F)ccc2[O-])o1 ZINC000131238562 287374064 /nfs/dbraw/zinc/37/40/64/287374064.db2.gz KSKPHYPRPYVRBN-UHFFFAOYSA-N -1 3 263.268 3.247 20 0 CGADHM Cc1csc2[n-]c(-c3ccc(Cl)o3)nc(=O)c12 ZINC000131444875 287380512 /nfs/dbraw/zinc/38/05/12/287380512.db2.gz NKJCUGPVZZSNMH-UHFFFAOYSA-N -1 3 266.709 3.206 20 0 CGADHM O=C([N-]c1cccc(F)c1F)c1coc(C2CCC2)n1 ZINC000683442150 543914628 /nfs/dbraw/zinc/91/46/28/543914628.db2.gz IZGNTOZDWRQKMU-UHFFFAOYSA-N -1 3 278.258 3.473 20 0 CGADHM CCCN(Cc1ccccc1F)C(=O)c1csc(=O)[n-]1 ZINC000684256616 543977515 /nfs/dbraw/zinc/97/75/15/543977515.db2.gz KGVAGDHWMJMMMO-UHFFFAOYSA-N -1 3 294.351 3.040 20 0 CGADHM CCc1cccc(-c2nc(Cc3c(C)noc3C)no2)c1[O-] ZINC000684615837 544019997 /nfs/dbraw/zinc/01/99/97/544019997.db2.gz AFQWXXUSNMQCOV-UHFFFAOYSA-N -1 3 299.330 3.200 20 0 CGADHM C[C@@H]1C[C@H](C)N1Cc1cc([O-])ccc1Br ZINC000684412716 543996287 /nfs/dbraw/zinc/99/62/87/543996287.db2.gz ZSJIIPIGVSSIPV-DTORHVGOSA-N -1 3 270.170 3.137 20 0 CGADHM CCc1cccc(C(=O)N2CCC(F)(F)[C@@H](C)C2)c1[O-] ZINC000685888801 544105321 /nfs/dbraw/zinc/10/53/21/544105321.db2.gz PHEQZDCJURPGII-JTQLQIEISA-N -1 3 283.318 3.072 20 0 CGADHM FC(F)(F)c1nnc([N-]Cc2cscc2Cl)o1 ZINC000685915772 544108162 /nfs/dbraw/zinc/10/81/62/544108162.db2.gz MQFUYZUJTAOQRD-UHFFFAOYSA-N -1 3 283.662 3.415 20 0 CGADHM O=C(NCc1ccc([O-])c(F)c1)c1c(F)cccc1Cl ZINC000133555045 287425473 /nfs/dbraw/zinc/42/54/73/287425473.db2.gz RMIVRPNCMWQJQS-UHFFFAOYSA-N -1 3 297.688 3.254 20 0 CGADHM O=C(c1cc([O-])ccc1Cl)N1Cc2ccccc2CO1 ZINC000354983911 227285119 /nfs/dbraw/zinc/28/51/19/227285119.db2.gz HJYLQLGBRVOOMO-UHFFFAOYSA-N -1 3 289.718 3.133 20 0 CGADHM CCCO[C@H]1CCCN([C@H](C)c2ccc(C(=O)[O-])o2)CC1 ZINC000652411234 418965388 /nfs/dbraw/zinc/96/53/88/418965388.db2.gz SEZOISVFBPZSHI-OLZOCXBDSA-N -1 3 295.379 3.320 20 0 CGADHM Cc1ccc(CN(CCCC(=O)[O-])Cc2ccccc2)nc1 ZINC000652494655 418974890 /nfs/dbraw/zinc/97/48/90/418974890.db2.gz ULVXHPCBUHTZRE-UHFFFAOYSA-N -1 3 298.386 3.257 20 0 CGADHM CCN(CCC(F)(F)F)Cc1ccccc1C(=O)[O-] ZINC000652405584 418962494 /nfs/dbraw/zinc/96/24/94/418962494.db2.gz XGHOFJOBSGAOHY-UHFFFAOYSA-N -1 3 275.270 3.159 20 0 CGADHM CCN(CCc1ccccc1C(=O)[O-])CCC(F)(F)F ZINC000652405574 418962752 /nfs/dbraw/zinc/96/27/52/418962752.db2.gz UZDPIMVEHFMBGE-UHFFFAOYSA-N -1 3 289.297 3.202 20 0 CGADHM Cc1c2ccccc2nc(CN(C)C2CCC2)c1C(=O)[O-] ZINC000652417010 418964436 /nfs/dbraw/zinc/96/44/36/418964436.db2.gz RAPUGHPTAGEUMM-UHFFFAOYSA-N -1 3 284.359 3.226 20 0 CGADHM CCO[C@H](CC)c1noc(-c2cc(CC)ccc2[O-])n1 ZINC000665040585 419043056 /nfs/dbraw/zinc/04/30/56/419043056.db2.gz RJVHIGCKDXZWHO-CYBMUJFWSA-N -1 3 276.336 3.492 20 0 CGADHM O=C(Cc1cncc([O-])c1)Nc1ccc(C2CCC2)cc1 ZINC000655394191 419045457 /nfs/dbraw/zinc/04/54/57/419045457.db2.gz IRULSJXLRUIWMY-UHFFFAOYSA-N -1 3 282.343 3.236 20 0 CGADHM O=C([O-])c1ccc2c(c1)CN(CCCC1CCC1)C2 ZINC000659790474 418991282 /nfs/dbraw/zinc/99/12/82/418991282.db2.gz CGHHEEVCASYTRN-UHFFFAOYSA-N -1 3 259.349 3.281 20 0 CGADHM Cc1c2ccccc2nc(CN2CC[C@H]3C[C@H]3C2)c1C(=O)[O-] ZINC000659799827 418994591 /nfs/dbraw/zinc/99/45/91/418994591.db2.gz IZFKZZXYEUAOBZ-STQMWFEESA-N -1 3 296.370 3.083 20 0 CGADHM C[C@H]1CN(C(=O)c2cccc([O-])c2)CCc2ccc(F)cc21 ZINC000652996045 419009323 /nfs/dbraw/zinc/00/93/23/419009323.db2.gz UFSYGZRFGZIRHB-LBPRGKRZSA-N -1 3 299.345 3.333 20 0 CGADHM O=C([O-])[C@@H](CNCc1ccc(F)cc1Cl)C1CCC1 ZINC000665362017 419119554 /nfs/dbraw/zinc/11/95/54/419119554.db2.gz XWDXLANRRWFLHF-LBPRGKRZSA-N -1 3 285.746 3.070 20 0 CGADHM COc1ccc([O-])c(-c2nc([C@@H]3CCC[C@@H]4C[C@@H]43)no2)c1 ZINC000656049868 419136785 /nfs/dbraw/zinc/13/67/85/419136785.db2.gz RJPJQUDDTDGWDN-JLLWLGSASA-N -1 3 286.331 3.354 20 0 CGADHM CC(C)(C)c1nc(C=Cc2cc3n(n2)CCCC3)cc(=O)[n-]1 ZINC000656105272 419141722 /nfs/dbraw/zinc/14/17/22/419141722.db2.gz UWCHVESQHWEXHF-BQYQJAHWSA-N -1 3 298.390 3.183 20 0 CGADHM O=C([O-])CN(Cc1cc2ccccc2s1)C1CCC1 ZINC000656101480 419141956 /nfs/dbraw/zinc/14/19/56/419141956.db2.gz MXKLRJDLVGWCCL-UHFFFAOYSA-N -1 3 275.373 3.340 20 0 CGADHM Cc1cc(=O)[n-]c(C(C)(C)NCc2ccccc2Cl)n1 ZINC000660743264 419188780 /nfs/dbraw/zinc/18/87/80/419188780.db2.gz AXAHUPHYTWLNPN-UHFFFAOYSA-N -1 3 291.782 3.169 20 0 CGADHM Cc1cc(=O)[n-]c(C(C)(C)NCCCC2CCCC2)n1 ZINC000660746411 419189472 /nfs/dbraw/zinc/18/94/72/419189472.db2.gz AKFASISREICAJD-UHFFFAOYSA-N -1 3 277.412 3.286 20 0 CGADHM CCOc1cc(CN2CC3(CC(F)C3)C2)cc(Cl)c1[O-] ZINC000656695526 419204170 /nfs/dbraw/zinc/20/41/70/419204170.db2.gz JEMGRYGWDHRIGL-UHFFFAOYSA-N -1 3 299.773 3.378 20 0 CGADHM CC1(C)CN(Cc2cc(C(=O)[O-])co2)CCc2ccccc21 ZINC000656759040 419210366 /nfs/dbraw/zinc/21/03/66/419210366.db2.gz UTWGOKAMGMAZDG-UHFFFAOYSA-N -1 3 299.370 3.314 20 0 CGADHM Cc1ccc2c(c1)CN(Cc1ccsc1C(=O)[O-])CC2 ZINC000656758943 419210916 /nfs/dbraw/zinc/21/09/16/419210916.db2.gz QPJPKYBBHSVEQL-UHFFFAOYSA-N -1 3 287.384 3.313 20 0 CGADHM CCC1(CC)CCCN(Cc2ccc(C(=O)[O-])cn2)C1 ZINC000656764177 419212942 /nfs/dbraw/zinc/21/29/42/419212942.db2.gz VCGQOCCKAYZZAE-UHFFFAOYSA-N -1 3 276.380 3.182 20 0 CGADHM CC(C)[C@H]([N-]S(=O)(=O)c1ccoc1)c1ccccc1F ZINC000657110577 419227559 /nfs/dbraw/zinc/22/75/59/419227559.db2.gz UWLIVIVZXCDXKD-AWEZNQCLSA-N -1 3 297.351 3.094 20 0 CGADHM CCCn1c(=O)[n-]nc1SC[C@H](CC)CC(F)F ZINC000657232320 419233741 /nfs/dbraw/zinc/23/37/41/419233741.db2.gz VHAYMNBRUSOTGQ-MRVPVSSYSA-N -1 3 279.356 3.167 20 0 CGADHM Cc1cccnc1-c1noc(-c2cc(-c3ccco3)n[n-]2)n1 ZINC000355847435 228019996 /nfs/dbraw/zinc/01/99/96/228019996.db2.gz USVCNWJLQZGEBH-UHFFFAOYSA-N -1 3 293.286 3.090 20 0 CGADHM Cc1cccnc1-c1noc(-c2cc(-c3ccco3)[n-]n2)n1 ZINC000355847435 228019997 /nfs/dbraw/zinc/01/99/97/228019997.db2.gz USVCNWJLQZGEBH-UHFFFAOYSA-N -1 3 293.286 3.090 20 0 CGADHM CO[C@H](CNCc1cccc([O-])c1Cl)CC(C)C ZINC000418097434 228035064 /nfs/dbraw/zinc/03/50/64/228035064.db2.gz NQTWHKOYTVCJOF-LBPRGKRZSA-N -1 3 271.788 3.196 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N2CCC[C@@H](C3CCC3)C2)n1 ZINC000662042411 419327293 /nfs/dbraw/zinc/32/72/93/419327293.db2.gz GEDVSFHUYFNRAJ-GXTWGEPZSA-N -1 3 275.396 3.064 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCC[C@H](C3CCC3)C2)n1 ZINC000662042415 419327879 /nfs/dbraw/zinc/32/78/79/419327879.db2.gz GEDVSFHUYFNRAJ-OCCSQVGLSA-N -1 3 275.396 3.064 20 0 CGADHM Cc1cc(C(=O)Nc2cc(F)ccc2C)ccc1[O-] ZINC000226951779 287636142 /nfs/dbraw/zinc/63/61/42/287636142.db2.gz ZBIJGCCTZOMXBB-UHFFFAOYSA-N -1 3 259.280 3.400 20 0 CGADHM Cc1cc(C)c(NC(=O)/C=C/c2cncc([O-])c2)c(C)c1 ZINC000179443915 260049251 /nfs/dbraw/zinc/04/92/51/260049251.db2.gz MFLOMBUSSPMOGP-SNAWJCMRSA-N -1 3 282.343 3.364 20 0 CGADHM O=C([O-])CC1(CN(Cc2ccccc2F)C2CC2)CC1 ZINC000521055814 260317529 /nfs/dbraw/zinc/31/75/29/260317529.db2.gz DNHOMYAJSFVGIQ-UHFFFAOYSA-N -1 3 277.339 3.045 20 0 CGADHM Cc1ccc([O-])c(C(=O)NCC2(C3CC3)CCC2)c1 ZINC000393628145 262081235 /nfs/dbraw/zinc/08/12/35/262081235.db2.gz CAHSSKVPNAFYDA-UHFFFAOYSA-N -1 3 259.349 3.011 20 0 CGADHM CCC(C)(CC)NC(=O)Cc1ccc([O-])cc1Cl ZINC000182439827 262586909 /nfs/dbraw/zinc/58/69/09/262586909.db2.gz DYPOPTYDDLKUHJ-UHFFFAOYSA-N -1 3 269.772 3.283 20 0 CGADHM C[C@@H]1CC[C@@H](CC(=O)N2CCCc3cccc([O-])c32)C1 ZINC000182918893 270054417 /nfs/dbraw/zinc/05/44/17/270054417.db2.gz VDSJRJXYGIHEGZ-CHWSQXEVSA-N -1 3 273.376 3.498 20 0 CGADHM CCc1cccc(CC(=O)N2CCCc3cccc([O-])c32)c1 ZINC000182915428 270054463 /nfs/dbraw/zinc/05/44/63/270054463.db2.gz FFSLJUGOVFZVHP-UHFFFAOYSA-N -1 3 295.382 3.477 20 0 CGADHM C[C@H]1CCC[C@@H](C(=O)N2CCCc3cccc([O-])c32)C1 ZINC000182908926 270054667 /nfs/dbraw/zinc/05/46/67/270054667.db2.gz KIXPJFAMRIQXFE-GXTWGEPZSA-N -1 3 273.376 3.498 20 0 CGADHM CCc1oc(C(=O)[O-])cc1CN1CCS[C@@H](C(C)C)C1 ZINC000519167209 265343017 /nfs/dbraw/zinc/34/30/17/265343017.db2.gz KQSSYIPNYBXFEL-CQSZACIVSA-N -1 3 297.420 3.114 20 0 CGADHM [O-]c1cc(F)cc(CNc2cccnc2OCC(F)F)c1 ZINC000185614937 270063874 /nfs/dbraw/zinc/06/38/74/270063874.db2.gz WMSSPUNPHIJSHP-UHFFFAOYSA-N -1 3 298.264 3.182 20 0 CGADHM C[C@@H]1CCC[C@H](N(C)C(=O)c2c[n-]c3ccccc3c2=O)C1 ZINC000193619467 270079507 /nfs/dbraw/zinc/07/95/07/270079507.db2.gz JQLWYCHXZAPYLX-OLZOCXBDSA-N -1 3 298.386 3.179 20 0 CGADHM CCN(Cc1cccc([O-])c1Br)C(C)C ZINC000316056977 270092634 /nfs/dbraw/zinc/09/26/34/270092634.db2.gz JKJRCSYNEWJWTG-UHFFFAOYSA-N -1 3 272.186 3.385 20 0 CGADHM Cc1cc(C(=O)N[C@@H](C2CC2)C2CCC2)ccc1[O-] ZINC000325325543 270095059 /nfs/dbraw/zinc/09/50/59/270095059.db2.gz XQYDDGYATDZHNR-OAHLLOKOSA-N -1 3 259.349 3.009 20 0 CGADHM CC(C)CN(C)[C@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000517575902 270097435 /nfs/dbraw/zinc/09/74/35/270097435.db2.gz NMHBBZJQNPCCCX-LBPRGKRZSA-N -1 3 273.735 3.193 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2ccc(OC)cc2)c1 ZINC000522151841 270105077 /nfs/dbraw/zinc/10/50/77/270105077.db2.gz WPVLGTINXRDMHL-UHFFFAOYSA-N -1 3 271.316 3.216 20 0 CGADHM C[C@H]1CCC[C@@H](CC[N-]S(=O)(=O)c2cccs2)C1 ZINC000523735472 270110705 /nfs/dbraw/zinc/11/07/05/270110705.db2.gz NTADYHNLRKIUTC-RYUDHWBXSA-N -1 3 287.450 3.243 20 0 CGADHM [O-]c1cccc(CNCC2CC=CC2)c1Br ZINC000527743681 270133772 /nfs/dbraw/zinc/13/37/72/270133772.db2.gz HPLKRKBLLMFCJA-UHFFFAOYSA-N -1 3 282.181 3.211 20 0 CGADHM CCCN(CC)C(=O)c1cc([O-])cc(Br)c1 ZINC000527878741 270141585 /nfs/dbraw/zinc/14/15/85/270141585.db2.gz DSHAXTCRYHQDAV-UHFFFAOYSA-N -1 3 286.169 3.027 20 0 CGADHM CC(C)Cc1ccccc1CNc1cc(Cl)c(=O)[n-]n1 ZINC000528067474 270153606 /nfs/dbraw/zinc/15/36/06/270153606.db2.gz JFQSDWOEWMTEPE-UHFFFAOYSA-N -1 3 291.782 3.068 20 0 CGADHM CCC([N-]S(=O)(=O)c1cc(C)cs1)(C1CC1)C1CC1 ZINC000528489148 270166569 /nfs/dbraw/zinc/16/65/69/270166569.db2.gz LQWCVKONJJXMKZ-UHFFFAOYSA-N -1 3 299.461 3.304 20 0 CGADHM CCC[C@@H](OCC)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000528876477 270174969 /nfs/dbraw/zinc/17/49/69/270174969.db2.gz MXRGTWSBTXOQIO-GFCCVEGCSA-N -1 3 271.744 3.189 20 0 CGADHM O=C(Nc1cccc(C2CCCCC2)c1)c1cnn[n-]1 ZINC000529648604 270187167 /nfs/dbraw/zinc/18/71/67/270187167.db2.gz HPRNXEDKIRUHRI-UHFFFAOYSA-N -1 3 270.336 3.105 20 0 CGADHM O=C(Nc1cccc(C2CCCCC2)c1)c1c[n-]nn1 ZINC000529648604 270187168 /nfs/dbraw/zinc/18/71/68/270187168.db2.gz HPRNXEDKIRUHRI-UHFFFAOYSA-N -1 3 270.336 3.105 20 0 CGADHM O=C(Nc1cccc(C2CCCCC2)c1)c1cn[n-]n1 ZINC000529648604 270187169 /nfs/dbraw/zinc/18/71/69/270187169.db2.gz HPRNXEDKIRUHRI-UHFFFAOYSA-N -1 3 270.336 3.105 20 0 CGADHM Cc1cccc(C(=O)N[C@@H]2C[C@H]2c2ccsc2)c1[O-] ZINC000529995797 270192422 /nfs/dbraw/zinc/19/24/22/270192422.db2.gz PGEKOBXTDLDYLU-QWHCGFSZSA-N -1 3 273.357 3.048 20 0 CGADHM CC[C@H](NC(=O)Cc1cncc([O-])c1)c1cc(C)ccc1C ZINC000530096154 270194246 /nfs/dbraw/zinc/19/42/46/270194246.db2.gz JVMFAWFMBIJDKL-KRWDZBQOSA-N -1 3 298.386 3.214 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)[C@H](C)C2CC2)c1-c1ccc(C)cc1 ZINC000530272780 270198321 /nfs/dbraw/zinc/19/83/21/270198321.db2.gz NZEJZBQURFQBDN-LLVKDONJSA-N -1 3 283.375 3.100 20 0 CGADHM C[C@H](C(=O)Nc1ccc(Br)cc1[O-])C1CC1 ZINC000530632843 270201495 /nfs/dbraw/zinc/20/14/95/270201495.db2.gz XFQDGAFBHCKEGV-ZETCQYMHSA-N -1 3 284.153 3.139 20 0 CGADHM [O-]c1cc(F)cc(CN[C@@H]2CCCc3c(O)cccc32)c1 ZINC000334782133 275060842 /nfs/dbraw/zinc/06/08/42/275060842.db2.gz SIESOPAZCUBZEQ-MRXNPFEDSA-N -1 3 287.334 3.404 20 0 CGADHM CC[C@@H](C)[C@H](OC)C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000356526556 287974512 /nfs/dbraw/zinc/97/45/12/287974512.db2.gz DPAAWTBYDZRRNF-OQPBUACISA-N -1 3 285.771 3.354 20 0 CGADHM CC[C@@H](C)[C@@H](OC)C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000356526554 287974522 /nfs/dbraw/zinc/97/45/22/287974522.db2.gz DPAAWTBYDZRRNF-AMIZOPFISA-N -1 3 285.771 3.354 20 0 CGADHM CC(C)c1csc2[n-]c(-c3ccccn3)nc(=O)c12 ZINC000069980685 278068459 /nfs/dbraw/zinc/06/84/59/278068459.db2.gz RKRUDBDDPOZTNV-UHFFFAOYSA-N -1 3 271.345 3.170 20 0 CGADHM CC1=CCC[C@@H](C)[C@H]1CNCc1cc(C(=O)[O-])co1 ZINC000276931695 278496632 /nfs/dbraw/zinc/49/66/32/278496632.db2.gz BQYWTTPNLXEBFQ-RISCZKNCSA-N -1 3 263.337 3.060 20 0 CGADHM C[C@@H]1CCN(C(=O)c2cc(F)c[nH]2)c2c([O-])cccc21 ZINC000293459623 278539801 /nfs/dbraw/zinc/53/98/01/278539801.db2.gz JUVVAHXPZSLUQD-SECBINFHSA-N -1 3 274.295 3.013 20 0 CGADHM C[C@@H]1CC[C@@H](C)N1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000123287597 278580221 /nfs/dbraw/zinc/58/02/21/278580221.db2.gz REOCJRLPFWQVJE-GHMZBOCLSA-N -1 3 297.358 3.042 20 0 CGADHM Cc1ccc(C(=O)N2CCc3ccccc3[C@@H]2C)c([O-])c1 ZINC000171505921 278788179 /nfs/dbraw/zinc/78/81/79/278788179.db2.gz WMQRBVKMHDHIMO-ZDUSSCGKSA-N -1 3 281.355 3.460 20 0 CGADHM CC(C)C[C@@H]1CCCCCN1C(=O)c1csc(=O)[n-]1 ZINC000336496072 279017230 /nfs/dbraw/zinc/01/72/30/279017230.db2.gz CGFSNAGZSGBPPV-NSHDSACASA-N -1 3 282.409 3.280 20 0 CGADHM CCC[C@@H]1CCCC[C@@H]1NC(=O)c1cccc2nn[n-]c21 ZINC000526114979 288149684 /nfs/dbraw/zinc/14/96/84/288149684.db2.gz VVHNFIHHNIQFTD-YPMHNXCESA-N -1 3 286.379 3.047 20 0 CGADHM CCC[C@@H]1CCCC[C@@H]1NC(=O)c1cccc2[n-]nnc21 ZINC000526114979 288149686 /nfs/dbraw/zinc/14/96/86/288149686.db2.gz VVHNFIHHNIQFTD-YPMHNXCESA-N -1 3 286.379 3.047 20 0 CGADHM CCC[C@@H]1CCCC[C@@H]1NC(=O)c1cccc2n[n-]nc21 ZINC000526114979 288149687 /nfs/dbraw/zinc/14/96/87/288149687.db2.gz VVHNFIHHNIQFTD-YPMHNXCESA-N -1 3 286.379 3.047 20 0 CGADHM C[C@H]1CCN(C(=O)CNc2ccccc2)c2c([O-])cccc21 ZINC000423899705 279699084 /nfs/dbraw/zinc/69/90/84/279699084.db2.gz ZOELUPPVIVEQLK-ZDUSSCGKSA-N -1 3 296.370 3.345 20 0 CGADHM CCOCc1nc(=O)c2c3c(sc2[n-]1)C[C@H](C)CC3 ZINC000336468226 279753107 /nfs/dbraw/zinc/75/31/07/279753107.db2.gz VQBAEQITJXSSJZ-MRVPVSSYSA-N -1 3 278.377 3.058 20 0 CGADHM CC[C@@H]1CCC[C@@H]1C(=O)Nc1ccc([O-])cc1F ZINC000336203545 280292688 /nfs/dbraw/zinc/29/26/88/280292688.db2.gz BRUZQWZCDWTYBM-KOLCDFICSA-N -1 3 251.301 3.296 20 0 CGADHM C[C@@H]1[C@H](C(=O)Nc2ccc([O-])cc2Cl)[C@H]1C1CC1 ZINC000529514247 288255526 /nfs/dbraw/zinc/25/55/26/288255526.db2.gz AFQWHSAFVYAUNX-YLJLNXRRSA-N -1 3 265.740 3.276 20 0 CGADHM C[C@@H]1CC(C(=O)[O-])C[C@@H](C)N1Cc1sccc1Cl ZINC000530174554 288293559 /nfs/dbraw/zinc/29/35/59/288293559.db2.gz LOBQTGBIYHZYMZ-RKDXNWHRSA-N -1 3 287.812 3.475 20 0 CGADHM CCc1cc(C(=O)N2CC3(CCC3)C[C@@H]2C)ccc1[O-] ZINC000368030994 281376242 /nfs/dbraw/zinc/37/62/42/281376242.db2.gz SXQAHOUMHCAUPY-LBPRGKRZSA-N -1 3 273.376 3.359 20 0 CGADHM CCc1cc(C(=O)N2C[C@@H](C)CC2(C)C)ccc1[O-] ZINC000362878033 281379238 /nfs/dbraw/zinc/37/92/38/281379238.db2.gz VJYKRLLOKGVPLA-NSHDSACASA-N -1 3 261.365 3.215 20 0 CGADHM CCc1ccc(C(=O)N2CC[C@@]3(C)[C@@H](C2)C3(F)F)c([O-])c1 ZINC000335334207 281397990 /nfs/dbraw/zinc/39/79/90/281397990.db2.gz YMOBTSQGACBPDG-HIFRSBDPSA-N -1 3 295.329 3.072 20 0 CGADHM Cc1conc1[N-]C(=O)c1csc(-c2ccccc2)n1 ZINC000123530384 281706879 /nfs/dbraw/zinc/70/68/79/281706879.db2.gz LRUVPLFBSMEWNG-UHFFFAOYSA-N -1 3 285.328 3.359 20 0 CGADHM CCN(Cc1nc2c3ccccc3oc2c(=O)[n-]1)C1CCC1 ZINC000533436547 288381517 /nfs/dbraw/zinc/38/15/17/288381517.db2.gz MWFCVMLUWQHURY-UHFFFAOYSA-N -1 3 297.358 3.456 20 0 CGADHM CC[C@H](Nc1ccccc1)C(=O)Nc1ccc([O-])cc1F ZINC000541169904 288687207 /nfs/dbraw/zinc/68/72/07/288687207.db2.gz NHPFNJOQYBBYIH-AWEZNQCLSA-N -1 3 288.322 3.361 20 0 CGADHM Cc1ncc(CN[C@H](CC2CC2)c2ccccc2)c(=O)[n-]1 ZINC000543427465 288802397 /nfs/dbraw/zinc/80/23/97/288802397.db2.gz OHRKJJHBYZKVAR-MRXNPFEDSA-N -1 3 283.375 3.122 20 0 CGADHM CC(C)(C)[C@@H]1CCN(C(=O)Cc2ccc([O-])cc2Cl)C1 ZINC000544296337 288840645 /nfs/dbraw/zinc/84/06/45/288840645.db2.gz AZFWPNAEISQNNX-GFCCVEGCSA-N -1 3 295.810 3.483 20 0 CGADHM Cc1ccc([C@H]2CCN(C(=O)c3c([O-])cccc3O)C2)cc1 ZINC000544338690 288842095 /nfs/dbraw/zinc/84/20/95/288842095.db2.gz VAIDBXSHBGQKSK-AWEZNQCLSA-N -1 3 297.354 3.036 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CC[C@H](C)C(C)(C)C2)c1 ZINC000546133312 288916960 /nfs/dbraw/zinc/91/69/60/288916960.db2.gz GCTSBQQSXYKSCX-LBPRGKRZSA-N -1 3 275.392 3.463 20 0 CGADHM C[C@H]1CCCCCN1C(=O)NCc1ccc([O-])c(F)c1 ZINC000548606911 289013024 /nfs/dbraw/zinc/01/30/24/289013024.db2.gz AMHOTBCDTONUJG-NSHDSACASA-N -1 3 280.343 3.005 20 0 CGADHM O=C(NCc1ncccc1[O-])Nc1ccc(C2CCC2)cc1 ZINC000548744429 289019523 /nfs/dbraw/zinc/01/95/23/289019523.db2.gz RULZEWVSPOWUIY-UHFFFAOYSA-N -1 3 297.358 3.376 20 0 CGADHM Cc1ccc([O-])c(C(=O)NCC(C)(C)C(F)(F)F)c1 ZINC000548881569 289027199 /nfs/dbraw/zinc/02/71/99/289027199.db2.gz NVJPMZHHXMUSQW-UHFFFAOYSA-N -1 3 275.270 3.019 20 0 CGADHM CCc1ccc([O-])c(C(=O)NCC(C)(C)C(F)(F)F)c1 ZINC000548910771 289028714 /nfs/dbraw/zinc/02/87/14/289028714.db2.gz MKFQJFVDQKCSCN-UHFFFAOYSA-N -1 3 289.297 3.273 20 0 CGADHM CCCCS[C@@H](C)C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000552286476 289178882 /nfs/dbraw/zinc/17/88/82/289178882.db2.gz QVBKFWYVKMCRNS-NSHDSACASA-N -1 3 295.404 3.455 20 0 CGADHM CC(=O)c1cccc(NC(=O)CCC(C)(C)C)c1[O-] ZINC000552287343 289179070 /nfs/dbraw/zinc/17/90/70/289179070.db2.gz OWVNZNLBMDUEKS-UHFFFAOYSA-N -1 3 263.337 3.360 20 0 CGADHM COCc1cccc(C(=O)Nc2c([O-])cccc2Cl)c1 ZINC000552780703 289198416 /nfs/dbraw/zinc/19/84/16/289198416.db2.gz LZDXGVACIFIULH-UHFFFAOYSA-N -1 3 291.734 3.444 20 0 CGADHM Cc1ccc(NC(=O)[C@@H]2CCc3cccc(O)c32)c([O-])c1 ZINC000552881647 289201437 /nfs/dbraw/zinc/20/14/37/289201437.db2.gz HWNVVDOPGUJPIA-GFCCVEGCSA-N -1 3 283.327 3.075 20 0 CGADHM COc1ccc([O-])c(C(=O)N(C)Cc2cccc(C)c2C)c1 ZINC000552998971 289205141 /nfs/dbraw/zinc/20/51/41/289205141.db2.gz QGTNPKLBLMQTIA-UHFFFAOYSA-N -1 3 299.370 3.290 20 0 CGADHM Cc1cnc([C@H](C)SCc2cc(=O)[n-]c(C3CC3)n2)o1 ZINC000557274734 289436429 /nfs/dbraw/zinc/43/64/29/289436429.db2.gz GZWZBKKORZUNTR-VIFPVBQESA-N -1 3 291.376 3.350 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CCC[C@H](CSC)C2)c1 ZINC000558135270 289474219 /nfs/dbraw/zinc/47/42/19/289474219.db2.gz MKZATJUZSCPVRL-ZDUSSCGKSA-N -1 3 293.432 3.170 20 0 CGADHM CCc1cccc(C(=O)N2CCCC[C@H]2C(F)F)c1[O-] ZINC000558643120 289509133 /nfs/dbraw/zinc/50/91/33/289509133.db2.gz POCDQYSOVZVJSJ-LBPRGKRZSA-N -1 3 283.318 3.214 20 0 CGADHM CC(C)n1cc(NCc2c(F)ccc([O-])c2F)cn1 ZINC000560490807 289596162 /nfs/dbraw/zinc/59/61/62/289596162.db2.gz JXCNREGTXRWSIW-UHFFFAOYSA-N -1 3 267.279 3.060 20 0 CGADHM Cc1cc(C(=O)N2CCC[C@H]3CCCC[C@@H]32)ccc1[O-] ZINC000227015143 301098632 /nfs/dbraw/zinc/09/86/32/301098632.db2.gz ODZBHNASPXAESZ-HIFRSBDPSA-N -1 3 273.376 3.495 20 0 CGADHM Cc1cccc2c1ncc(C)c2N1CCC[C@@H](C(=O)[O-])C1 ZINC000263377612 302067309 /nfs/dbraw/zinc/06/73/09/302067309.db2.gz BSMJQAPYXNKEJN-CYBMUJFWSA-N -1 3 284.359 3.153 20 0 CGADHM O=C(CCc1cccs1)Nc1cc(F)ccc1[O-] ZINC000178330510 327793691 /nfs/dbraw/zinc/79/36/91/327793691.db2.gz VQXWTIYJHKHCHG-UHFFFAOYSA-N -1 3 265.309 3.164 20 0 CGADHM CCCCCOCC(=O)Nc1ccc(Cl)cc1[O-] ZINC000153486939 321721313 /nfs/dbraw/zinc/72/13/13/321721313.db2.gz HOMBTHBXYBIKEI-UHFFFAOYSA-N -1 3 271.744 3.191 20 0 CGADHM C/C=C/C=C/C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000153662407 321724342 /nfs/dbraw/zinc/72/43/42/321724342.db2.gz SRVJHLSBZQYZKR-MQQKCMAXSA-N -1 3 271.238 3.482 20 0 CGADHM Cc1cccc(S(=O)(=O)[N-][C@@H]2CC23CCCCC3)c1F ZINC000313216753 321959372 /nfs/dbraw/zinc/95/93/72/321959372.db2.gz GYBAWDGKGVOSHD-CYBMUJFWSA-N -1 3 297.395 3.135 20 0 CGADHM O=C([O-])[C@H]1CC12CCN([C@H]1C=CCCCCC1)CC2 ZINC000405331201 321971137 /nfs/dbraw/zinc/97/11/37/321971137.db2.gz CAIWZXMETRVRIH-UONOGXRCSA-N -1 3 263.381 3.062 20 0 CGADHM Cc1ccccc1C(C)(C)NCc1ncccc1[O-] ZINC000563948137 322016490 /nfs/dbraw/zinc/01/64/90/322016490.db2.gz PXMHWWSVFAIWKV-UHFFFAOYSA-N -1 3 256.349 3.121 20 0 CGADHM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCSC2(CCC2)CC1 ZINC000563976927 322016988 /nfs/dbraw/zinc/01/69/88/322016988.db2.gz SDYFKRFHCGNTHD-NSHDSACASA-N -1 3 295.404 3.400 20 0 CGADHM C[C@@H]1CCN(Cc2ncccc2[O-])[C@@H](c2ccco2)C1 ZINC000564298403 322025693 /nfs/dbraw/zinc/02/56/93/322025693.db2.gz JQPHODUEALKBTN-TZMCWYRMSA-N -1 3 272.348 3.353 20 0 CGADHM Cc1cccc(CSCc2cc(=O)[n-]c(C3CC3)n2)n1 ZINC000564553665 322034173 /nfs/dbraw/zinc/03/41/73/322034173.db2.gz QYBMDUBWJDCBMA-UHFFFAOYSA-N -1 3 287.388 3.196 20 0 CGADHM CCC[C@@H](CC)S(=O)(=O)[N-]c1cnn([C@H](C)C2CC2)c1 ZINC000565053520 322057278 /nfs/dbraw/zinc/05/72/78/322057278.db2.gz AEYDDDZXKGYPDJ-BXUZGUMPSA-N -1 3 299.440 3.175 20 0 CGADHM C[C@H](c1ccco1)N(Cc1ncccc1[O-])C1CC1 ZINC000565390012 322075567 /nfs/dbraw/zinc/07/55/67/322075567.db2.gz JAVSEUFVHFZYGB-LLVKDONJSA-N -1 3 258.321 3.106 20 0 CGADHM CC1CCN(Cc2ccc(C(=O)[O-])c(Cl)c2)CC1 ZINC000566359511 322117930 /nfs/dbraw/zinc/11/79/30/322117930.db2.gz XKBSSQMNGAAUTD-UHFFFAOYSA-N -1 3 267.756 3.270 20 0 CGADHM C[C@H]1CN(Cc2ccccc2C(=O)[O-])Cc2ccccc2O1 ZINC000568783132 322222700 /nfs/dbraw/zinc/22/27/00/322222700.db2.gz NRIZTLKTLNWHQO-ZDUSSCGKSA-N -1 3 297.354 3.168 20 0 CGADHM CC[C@@H]1C[C@H]1C(=O)Nc1ccc(Br)cc1[O-] ZINC000568837837 322224371 /nfs/dbraw/zinc/22/43/71/322224371.db2.gz QLWYPDJUXBHWOW-VXNVDRBHSA-N -1 3 284.153 3.139 20 0 CGADHM CO[C@@]1(C)C[C@@H](N(C)Cc2csc(C(=O)[O-])c2)C1(C)C ZINC000569584176 322251242 /nfs/dbraw/zinc/25/12/42/322251242.db2.gz NIDCQRPGQGEPRA-DOMZBBRYSA-N -1 3 297.420 3.082 20 0 CGADHM C[C@H](CC(=O)[O-])N(C)Cc1ccc(Cl)cc1Cl ZINC000569701526 322254789 /nfs/dbraw/zinc/25/47/89/322254789.db2.gz CYEGGJGWRYAOAY-MRVPVSSYSA-N -1 3 276.163 3.288 20 0 CGADHM C[C@@H](CN(C)Cc1ccoc1C(=O)[O-])c1ccccc1 ZINC000570220879 322268051 /nfs/dbraw/zinc/26/80/51/322268051.db2.gz WRXLLQOFPPDZSN-LBPRGKRZSA-N -1 3 273.332 3.213 20 0 CGADHM COc1ccc(Cl)c(CN2CCC[C@H](C)[C@H]2C(=O)[O-])c1 ZINC000570400394 322272569 /nfs/dbraw/zinc/27/25/69/322272569.db2.gz WUSWKFFXJPPFHA-HZMBPMFUSA-N -1 3 297.782 3.034 20 0 CGADHM CC(=O)c1cccc(NC(=O)c2cccc3cc[nH]c32)c1[O-] ZINC000571069737 322289036 /nfs/dbraw/zinc/28/90/36/322289036.db2.gz XVBIAFSMINKVPD-UHFFFAOYSA-N -1 3 294.310 3.328 20 0 CGADHM Cc1cccc(Cl)c1CN1CCC(CC(=O)[O-])CC1 ZINC000571219546 322293407 /nfs/dbraw/zinc/29/34/07/322293407.db2.gz JXLGKONWWNBHID-UHFFFAOYSA-N -1 3 281.783 3.335 20 0 CGADHM CCC[C@H](C)N(C)Cc1cc(C(=O)[O-])oc1CC ZINC000571337884 322296072 /nfs/dbraw/zinc/29/60/72/322296072.db2.gz XXBFELIJKRXLNY-JTQLQIEISA-N -1 3 253.342 3.161 20 0 CGADHM CCc1ccc([O-])c(C(=O)NCCCC(F)(F)F)c1 ZINC000571408313 322298065 /nfs/dbraw/zinc/29/80/65/322298065.db2.gz OHFOSPULDBFBES-UHFFFAOYSA-N -1 3 275.270 3.027 20 0 CGADHM Cc1cc(C(=O)N2CCC[C@@H](c3ccncc3)C2)ccc1[O-] ZINC000571895885 322311188 /nfs/dbraw/zinc/31/11/88/322311188.db2.gz SUWJOZZVENUOTQ-MRXNPFEDSA-N -1 3 296.370 3.115 20 0 CGADHM Cc1cc(C(=O)N2CCC[C@H](c3ccncc3)C2)ccc1[O-] ZINC000571895883 322311362 /nfs/dbraw/zinc/31/13/62/322311362.db2.gz SUWJOZZVENUOTQ-INIZCTEOSA-N -1 3 296.370 3.115 20 0 CGADHM CCC[C@@H](C(=O)[O-])N(C)Cc1cc(Cl)ccc1F ZINC000572006546 322315414 /nfs/dbraw/zinc/31/54/14/322315414.db2.gz HOYHYBUAKLAMHM-LBPRGKRZSA-N -1 3 273.735 3.164 20 0 CGADHM Cc1ccnc([C@@H]2CCN(C(=O)c3cc(C)ccc3[O-])C2)c1 ZINC000572256234 322328064 /nfs/dbraw/zinc/32/80/64/322328064.db2.gz GJAWGBUWSSZJGD-CQSZACIVSA-N -1 3 296.370 3.034 20 0 CGADHM Cc1cc([C@@H](C)N2C[C@@H](C)S[C@@H](C)C2)oc1C(=O)[O-] ZINC000573259266 322378632 /nfs/dbraw/zinc/37/86/32/322378632.db2.gz PBWBGGLNUYMBGQ-OUAUKWLOSA-N -1 3 283.393 3.173 20 0 CGADHM CN(CCC1CC1)Cc1c(Cl)cccc1C(=O)[O-] ZINC000573259396 322378682 /nfs/dbraw/zinc/37/86/82/322378682.db2.gz VTHYZAMIGIFRSP-UHFFFAOYSA-N -1 3 267.756 3.270 20 0 CGADHM CSc1nnc(NC(=O)c2cccc(C(C)(C)C)c2)[n-]1 ZINC000573623124 322397985 /nfs/dbraw/zinc/39/79/85/322397985.db2.gz IJURYBWUXQYNGH-UHFFFAOYSA-N -1 3 290.392 3.076 20 0 CGADHM CSc1n[n-]c(NC(=O)c2cccc(C(C)(C)C)c2)n1 ZINC000573623124 322397987 /nfs/dbraw/zinc/39/79/87/322397987.db2.gz IJURYBWUXQYNGH-UHFFFAOYSA-N -1 3 290.392 3.076 20 0 CGADHM CSc1nc(NC(=O)c2cccc(C(C)(C)C)c2)n[n-]1 ZINC000573623124 322397989 /nfs/dbraw/zinc/39/79/89/322397989.db2.gz IJURYBWUXQYNGH-UHFFFAOYSA-N -1 3 290.392 3.076 20 0 CGADHM C[C@@H](CCC1CCCCC1)NC(=O)Cc1cncc([O-])c1 ZINC000573696930 322402132 /nfs/dbraw/zinc/40/21/32/322402132.db2.gz MVJJBKMJKOYEIP-ZDUSSCGKSA-N -1 3 290.407 3.195 20 0 CGADHM CCO[C@H](CC)C(=O)[N-]c1onc(C(F)(F)F)c1CC ZINC000583572904 328617321 /nfs/dbraw/zinc/61/73/21/328617321.db2.gz FXEUTNZKMPACTG-MRVPVSSYSA-N -1 3 294.273 3.009 20 0 CGADHM Cc1nc2ccccc2c(N2C[C@@H](C)[C@](C)(C(=O)[O-])C2)c1C ZINC000584234536 327072256 /nfs/dbraw/zinc/07/22/56/327072256.db2.gz HMMTZWSSRNQPBB-ADLMAVQZSA-N -1 3 298.386 3.399 20 0 CGADHM C[C@@H]([N-]S(=O)(=O)c1cccc2ccccc21)C(C)(F)F ZINC000389509636 328852434 /nfs/dbraw/zinc/85/24/34/328852434.db2.gz IUWVEABUONFQEX-SNVBAGLBSA-N -1 3 299.342 3.162 20 0 CGADHM COc1ccc(Cl)cc1CN1C[C@H](C(=O)[O-])CC[C@H]1C ZINC000397112557 329343621 /nfs/dbraw/zinc/34/36/21/329343621.db2.gz SKIFUUHLCJKIRM-GHMZBOCLSA-N -1 3 297.782 3.034 20 0 CGADHM CC[C@@H](C)[C@H](N)C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000232399038 329385247 /nfs/dbraw/zinc/38/52/47/329385247.db2.gz FQCLTNVSKHYUBR-LDWIPMOCSA-N -1 3 291.178 3.011 20 0 CGADHM CCc1coc([N-]C(=O)c2coc(-c3ccccc3)n2)n1 ZINC000583847632 329487761 /nfs/dbraw/zinc/48/77/61/329487761.db2.gz XAPITBCXWLAQLS-UHFFFAOYSA-N -1 3 283.287 3.144 20 0 CGADHM O=C([N-]c1cc(F)ccc1Cl)c1ncc(F)cc1F ZINC000192269080 335102369 /nfs/dbraw/zinc/10/23/69/335102369.db2.gz ILBHQQDEDHFUQU-UHFFFAOYSA-N -1 3 286.640 3.405 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])c1ccc(OC(F)F)cc1 ZINC000174872165 335168045 /nfs/dbraw/zinc/16/80/45/335168045.db2.gz WLVSTFZXIHPXCY-UHFFFAOYSA-N -1 3 297.232 3.385 20 0 CGADHM Cc1ccc(C)c(CC(=O)Nc2cc(F)ccc2[O-])c1 ZINC000174893526 335168908 /nfs/dbraw/zinc/16/89/08/335168908.db2.gz FEYYYYPGARZTMS-UHFFFAOYSA-N -1 3 273.307 3.329 20 0 CGADHM CCCCn1c(SCc2c(C)nsc2C)n[n-]c1=O ZINC000576898942 335262020 /nfs/dbraw/zinc/26/20/20/335262020.db2.gz TXVXELBZCLDJJD-UHFFFAOYSA-N -1 3 298.437 3.149 20 0 CGADHM CN(Cc1ccccc1N1CCCC1)Cc1ncccc1[O-] ZINC000577102208 335300214 /nfs/dbraw/zinc/30/02/14/335300214.db2.gz WVKQBMPHAZLUJQ-UHFFFAOYSA-N -1 3 297.402 3.019 20 0 CGADHM CC(=O)c1cccc(NC(=O)c2cc[nH]c2C(C)C)c1[O-] ZINC000577376589 335344639 /nfs/dbraw/zinc/34/46/39/335344639.db2.gz FLKRRXLJTWPDQL-UHFFFAOYSA-N -1 3 286.331 3.299 20 0 CGADHM [O-]c1ccc(-c2noc([C@H]3CC34CCSCC4)n2)cc1 ZINC000351083853 335565074 /nfs/dbraw/zinc/56/50/74/335565074.db2.gz VASRUOSHQYSSDQ-GFCCVEGCSA-N -1 3 288.372 3.443 20 0 CGADHM CC(C)CCN(CCC(C)C)Cc1oncc1C(=O)[O-] ZINC000380514961 335993151 /nfs/dbraw/zinc/99/31/51/335993151.db2.gz QEGCCXIWYHLYMG-UHFFFAOYSA-N -1 3 282.384 3.267 20 0 CGADHM Cc1cc([C@H](C)N2CCCC(C)(C)C2)oc1C(=O)[O-] ZINC000581374880 336064186 /nfs/dbraw/zinc/06/41/86/336064186.db2.gz GHDQRMDRCGJPBU-NSHDSACASA-N -1 3 265.353 3.469 20 0 CGADHM O=C([O-])c1occc1CN(Cc1ccccc1)C1CC1 ZINC000383556969 336114033 /nfs/dbraw/zinc/11/40/33/336114033.db2.gz IXUODWUZNRMAGP-UHFFFAOYSA-N -1 3 271.316 3.142 20 0 CGADHM C[C@@H](c1ccccc1)N(C)Cc1ccc(C(=O)[O-])o1 ZINC000383857178 336118660 /nfs/dbraw/zinc/11/86/60/336118660.db2.gz RKJAECJDQKMMBZ-NSHDSACASA-N -1 3 259.305 3.171 20 0 CGADHM O=C([O-])[C@H](CC1CCCC1)NCc1cccc(F)c1F ZINC000581860604 336153073 /nfs/dbraw/zinc/15/30/73/336153073.db2.gz IWHFJJRMPLZEJX-ZDUSSCGKSA-N -1 3 283.318 3.088 20 0 CGADHM COC(=O)c1[n-]c(=N[C@@H](C)CCC(C)(C)C)sc1C ZINC000386196595 336167849 /nfs/dbraw/zinc/16/78/49/336167849.db2.gz FDINMJVIOQFSQX-VIFPVBQESA-N -1 3 284.425 3.287 20 0 CGADHM CCCCN(CC)Cc1cc(C(=O)[O-])ccc1F ZINC000062750686 520479498 /nfs/dbraw/zinc/47/94/98/520479498.db2.gz GEHDIDKISLGSRL-UHFFFAOYSA-N -1 3 253.317 3.146 20 0 CGADHM CO[C@@H]1CCC[C@H](C(=O)Nc2ccc(Cl)cc2[O-])C1 ZINC000343888060 500828779 /nfs/dbraw/zinc/82/87/79/500828779.db2.gz NVHBHMATUZBKBE-GXSJLCMTSA-N -1 3 283.755 3.189 20 0 CGADHM C[C@H]1CC[C@](CNCc2c(F)cccc2F)(CC(=O)[O-])C1 ZINC000426628590 533772174 /nfs/dbraw/zinc/77/21/74/533772174.db2.gz NGHBUNGHXJNZPD-MEDUHNTESA-N -1 3 297.345 3.336 20 0 CGADHM C[C@@H]1CCC[C@H](N(C)C(=O)Cc2ccc([O-])c(F)c2)C1 ZINC000448666476 533858167 /nfs/dbraw/zinc/85/81/67/533858167.db2.gz GGJJCVKWYWHTTG-YPMHNXCESA-N -1 3 279.355 3.111 20 0 CGADHM Cc1cc(C(=O)NCc2cnccc2C(C)(C)C)ccc1[O-] ZINC000413934937 534061115 /nfs/dbraw/zinc/06/11/15/534061115.db2.gz BWNZGEAXZCTFDF-UHFFFAOYSA-N -1 3 298.386 3.323 20 0 CGADHM Cc1ccc(C(=O)N(C)[C@H]2CC[C@@H](C)C2)c([O-])c1C ZINC000436874683 534259767 /nfs/dbraw/zinc/25/97/67/534259767.db2.gz BBZJILOPSCBYET-MFKMUULPSA-N -1 3 261.365 3.270 20 0 CGADHM COC(=O)c1cnc(SC[C@@H]2C[C@H]2c2ccccc2)[n-]1 ZINC000359156244 534307714 /nfs/dbraw/zinc/30/77/14/534307714.db2.gz DHXAKKUADUDBGA-RYUDHWBXSA-N -1 3 288.372 3.092 20 0 CGADHM O=C(Nc1cccc(O)c1)c1ccc2c(c1[O-])CCCC2 ZINC000436882124 534360010 /nfs/dbraw/zinc/36/00/10/534360010.db2.gz QNVXTJWCENDKSQ-UHFFFAOYSA-N -1 3 283.327 3.229 20 0 CGADHM Cc1cccc(C(=O)N[C@@H]2C[C@H]2Cc2ccccc2)c1[O-] ZINC000436591792 534618808 /nfs/dbraw/zinc/61/88/08/534618808.db2.gz RLOSRJBRAFTLJF-GDBMZVCRSA-N -1 3 281.355 3.062 20 0 CGADHM Cc1cccc(C(=O)N2CCC[C@@H]2C2CCC2)c1[O-] ZINC000102900093 524174707 /nfs/dbraw/zinc/17/47/07/524174707.db2.gz SKQVOSGYRHHMPU-CQSZACIVSA-N -1 3 259.349 3.105 20 0 CGADHM O=C(NC1CC(c2ccccc2)C1)c1ccccc1[O-] ZINC000436513861 534787854 /nfs/dbraw/zinc/78/78/54/534787854.db2.gz NGVQUCLMIPCZIE-UHFFFAOYSA-N -1 3 267.328 3.068 20 0 CGADHM Cc1ccc([O-])c(C(=O)N(C)[C@H]2CCCC[C@@H]2C)c1 ZINC000055482030 525331337 /nfs/dbraw/zinc/33/13/37/525331337.db2.gz QGTLHAQYCSAIID-JSGCOSHPSA-N -1 3 261.365 3.351 20 0 CGADHM CC(=O)c1cccc(NC(=O)C=Cc2ccsc2)c1[O-] ZINC000492938638 534889792 /nfs/dbraw/zinc/88/97/92/534889792.db2.gz AQUCAMJGPSESHV-WAYWQWQTSA-N -1 3 287.340 3.308 20 0 CGADHM CC(=O)c1cccc(NC(=O)c2ccc3cc[nH]c3c2)c1[O-] ZINC000514966096 534892464 /nfs/dbraw/zinc/89/24/64/534892464.db2.gz ONNOVEYBQCKYTH-UHFFFAOYSA-N -1 3 294.310 3.328 20 0 CGADHM C=Cc1ccc(CCNC(=O)c2cccc(OC)c2[O-])cc1 ZINC000436637931 526272455 /nfs/dbraw/zinc/27/24/55/526272455.db2.gz BFRHHBSYOBVPPM-UHFFFAOYSA-N -1 3 297.354 3.016 20 0 CGADHM [O-]c1ccc(F)c(CNCCCc2ccc(O)cc2)c1F ZINC000293492332 526343752 /nfs/dbraw/zinc/34/37/52/526343752.db2.gz ASWPDTTUSACPBZ-UHFFFAOYSA-N -1 3 293.313 3.098 20 0 CGADHM CC(C)(C)c1ccc(NC(=O)[C@]2(C)C[C@H]2F)c([O-])c1 ZINC000424827384 526782692 /nfs/dbraw/zinc/78/26/92/526782692.db2.gz QUCWTAOGPTWHRH-IUODEOHRSA-N -1 3 265.328 3.376 20 0 CGADHM CC(C)(C)c1nc(C=Cc2ccn(C(F)F)n2)cc(=O)[n-]1 ZINC000414079121 526874414 /nfs/dbraw/zinc/87/44/14/526874414.db2.gz RLRDBNBRANKUAU-PLNGDYQASA-N -1 3 294.305 3.242 20 0 CGADHM CC(=O)Nc1ccc(C)cc1NC(=O)c1cc(C)ccc1[O-] ZINC000170805435 526961262 /nfs/dbraw/zinc/96/12/62/526961262.db2.gz FEUQSBSNALSNDH-UHFFFAOYSA-N -1 3 298.342 3.220 20 0 CGADHM CC(=O)c1ccc(C(=O)N[C@@H]2CC[C@H](C)C[C@@H]2C)cc1[O-] ZINC000412111079 527263212 /nfs/dbraw/zinc/26/32/12/527263212.db2.gz FOOXRDBTKBHWCX-ZIBATOQPSA-N -1 3 289.375 3.149 20 0 CGADHM O=C(Nc1ncccc1[O-])[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000339658158 527522080 /nfs/dbraw/zinc/52/20/80/527522080.db2.gz QBKPWYSMPPZYBR-YNEHKIRRSA-N -1 3 274.364 3.332 20 0 CGADHM CCC1CCC(CNC(=O)c2ccc([O-])c(OC)c2)CC1 ZINC000436636201 527830519 /nfs/dbraw/zinc/83/05/19/527830519.db2.gz XXDLZGZWIKKMNR-UHFFFAOYSA-N -1 3 291.391 3.347 20 0 CGADHM CCC1CCC(C[N-]S(=O)(=O)c2ccc(C)o2)CC1 ZINC000358421955 527833277 /nfs/dbraw/zinc/83/32/77/527833277.db2.gz AGJROOIRPWMFKO-UHFFFAOYSA-N -1 3 285.409 3.083 20 0 CGADHM CC1(CNCc2cc(C(=O)[O-])co2)CCCCCC1 ZINC000426716355 527982115 /nfs/dbraw/zinc/98/21/15/527982115.db2.gz VLQHBSKVPNETLZ-UHFFFAOYSA-N -1 3 265.353 3.428 20 0 CGADHM CCCC(C)(C)CC(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000426467147 527985004 /nfs/dbraw/zinc/98/50/04/527985004.db2.gz FVNKHJYDWXAVPI-UHFFFAOYSA-N -1 3 276.340 3.220 20 0 CGADHM CCCC(C)(C)CC(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000426467147 527985010 /nfs/dbraw/zinc/98/50/10/527985010.db2.gz FVNKHJYDWXAVPI-UHFFFAOYSA-N -1 3 276.340 3.220 20 0 CGADHM CCCC(C)(C)CC(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000426467147 527985012 /nfs/dbraw/zinc/98/50/12/527985012.db2.gz FVNKHJYDWXAVPI-UHFFFAOYSA-N -1 3 276.340 3.220 20 0 CGADHM CCCN(CC)c1ccc(-c2nc(CC)cc(=O)[n-]2)cn1 ZINC000368177369 528006222 /nfs/dbraw/zinc/00/62/22/528006222.db2.gz PWLRCJAXIXAYNR-UHFFFAOYSA-N -1 3 286.379 3.043 20 0 CGADHM CC(C)Oc1ccc(-c2nc(-c3ccc([O-])cc3)no2)nc1 ZINC000436867253 528128173 /nfs/dbraw/zinc/12/81/73/528128173.db2.gz BPEOLPQGQZFYOU-UHFFFAOYSA-N -1 3 297.314 3.291 20 0 CGADHM CCCCN(C(=O)c1ccc(C)c(C)c1[O-])C1CC1 ZINC000436760224 528311596 /nfs/dbraw/zinc/31/15/96/528311596.db2.gz OBKHKQXXKKUGMQ-UHFFFAOYSA-N -1 3 261.365 3.414 20 0 CGADHM CCOc1ccc(-c2noc(-c3cccc(C)c3[O-])n2)cn1 ZINC000436918097 528355718 /nfs/dbraw/zinc/35/57/18/528355718.db2.gz GIQRVFIECGIJEB-UHFFFAOYSA-N -1 3 297.314 3.211 20 0 CGADHM CCC[C@H]1SCCN1C(=O)c1cc(CC)ccc1[O-] ZINC000436545993 528440867 /nfs/dbraw/zinc/44/08/67/528440867.db2.gz IYOPOSMBMXJSBK-CQSZACIVSA-N -1 3 279.405 3.270 20 0 CGADHM CC(C)Cc1c[nH]c(C(=O)Nc2ccccc2[O-])c1 ZINC000411195771 528637872 /nfs/dbraw/zinc/63/78/72/528637872.db2.gz BZESHLZLPCNDNO-UHFFFAOYSA-N -1 3 258.321 3.171 20 0 CGADHM CCCCOc1ccc(C(=O)N2C[C@@H](C)[C@H](C)C2)c([O-])c1 ZINC000436989802 528662511 /nfs/dbraw/zinc/66/25/11/528662511.db2.gz SGADUBMCAHBAMC-CHWSQXEVSA-N -1 3 291.391 3.299 20 0 CGADHM CC(C)[C@@H]1CCCN(C(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000436270626 528663355 /nfs/dbraw/zinc/66/33/55/528663355.db2.gz NYGCFIFIIVXXQT-CYBMUJFWSA-N -1 3 294.370 3.109 20 0 CGADHM CCCc1nc(C(=O)[N-]c2ccc(F)c(F)c2F)co1 ZINC000358870853 528696706 /nfs/dbraw/zinc/69/67/06/528696706.db2.gz KWQDRXIIMKKOBH-UHFFFAOYSA-N -1 3 284.237 3.297 20 0 CGADHM CC1(C)CC([N-]S(=O)(=O)c2ccco2)CC(C)(C)C1 ZINC000445731055 528889669 /nfs/dbraw/zinc/88/96/69/528889669.db2.gz DUQQIGSGGUJMTH-UHFFFAOYSA-N -1 3 285.409 3.163 20 0 CGADHM CCCCn1c(=O)[n-]nc1SC[C@@H](C)C(F)(F)F ZINC000439038495 529068560 /nfs/dbraw/zinc/06/85/60/529068560.db2.gz DXSRETMDEZOGIJ-SSDOTTSWSA-N -1 3 283.319 3.074 20 0 CGADHM CCS[C@@H]1CCCC[C@@H]1NC(=O)c1ccc([O-])c(C)c1 ZINC000436924394 529208881 /nfs/dbraw/zinc/20/88/81/529208881.db2.gz GRSKVSYPSRAZFX-DZGCQCFKSA-N -1 3 293.432 3.495 20 0 CGADHM CCS[C@@H]1CC[C@H](N(C)C(=O)c2ccccc2[O-])C1 ZINC000175392240 529221240 /nfs/dbraw/zinc/22/12/40/529221240.db2.gz MUWQKBHZBQGMEG-NWDGAFQWSA-N -1 3 279.405 3.138 20 0 CGADHM CCSc1cccnc1C(=O)[N-]c1c(C)noc1CC ZINC000410627626 529259573 /nfs/dbraw/zinc/25/95/73/529259573.db2.gz VEGGGJGJPJXNFF-UHFFFAOYSA-N -1 3 291.376 3.305 20 0 CGADHM CC[C@H]1CN(C(=O)c2ccc(C(C)C)cc2[O-])C[C@@H](C)O1 ZINC000436542536 529282271 /nfs/dbraw/zinc/28/22/71/529282271.db2.gz CYSMTLZGKYTEES-OCCSQVGLSA-N -1 3 291.391 3.155 20 0 CGADHM CC[C@H](CCNCc1ccc(F)cc1Cl)C(=O)[O-] ZINC000417644420 529323067 /nfs/dbraw/zinc/32/30/67/529323067.db2.gz CBJVYWAPSWWPDN-SECBINFHSA-N -1 3 273.735 3.070 20 0 CGADHM CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)c1cccc([O-])c1 ZINC000312707571 535017691 /nfs/dbraw/zinc/01/76/91/535017691.db2.gz SJMQXHYFEGSSKH-NSHDSACASA-N -1 3 287.281 3.195 20 0 CGADHM CC(C)(C)[C@@H]1C[C@@H](NCc2c(F)ccc([O-])c2F)CCO1 ZINC000293739659 535084594 /nfs/dbraw/zinc/08/45/94/535084594.db2.gz XAJUAPZUFQNBQY-HZMBPMFUSA-N -1 3 299.361 3.354 20 0 CGADHM CCc1cc(C(=O)N[C@@H]2C[C@H]2Cc2ccccc2)ccc1[O-] ZINC000486473356 536128215 /nfs/dbraw/zinc/12/82/15/536128215.db2.gz VIIGDKBXKWDQOX-IAGOWNOFSA-N -1 3 295.382 3.316 20 0 CGADHM CCc1ccc(NC(=O)c2[n-]nc3c2cccc3OC)cc1 ZINC000515169691 536189744 /nfs/dbraw/zinc/18/97/44/536189744.db2.gz RYOPSYHPHIPQKX-UHFFFAOYSA-N -1 3 295.342 3.386 20 0 CGADHM CCc1ccc(NC(=O)c2n[n-]c3c2cccc3OC)cc1 ZINC000515169691 536189746 /nfs/dbraw/zinc/18/97/46/536189746.db2.gz RYOPSYHPHIPQKX-UHFFFAOYSA-N -1 3 295.342 3.386 20 0 CGADHM O=C([O-])N(CCCNCc1cc2ccccc2o1)C1CC1 ZINC000740489534 571805755 /nfs/dbraw/zinc/80/57/55/571805755.db2.gz PZLJDMIHGFZHHL-UHFFFAOYSA-N -1 3 288.347 3.055 20 0 CGADHM CO[C@@H]1CCC[C@@H](OC(=O)c2cc3ccsc3[n-]2)C1 ZINC000729078259 571866305 /nfs/dbraw/zinc/86/63/05/571866305.db2.gz BRSNCCFJVFASMF-GHMZBOCLSA-N -1 3 279.361 3.344 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CCc3c(C)cccc3C2)c1 ZINC000729537446 571924123 /nfs/dbraw/zinc/92/41/23/571924123.db2.gz DBQRPPFHXHTFAY-UHFFFAOYSA-N -1 3 295.382 3.462 20 0 CGADHM Cc1ccc(NC(=O)c2cc3occc3[n-]2)c2n[nH]cc21 ZINC000750855627 572330071 /nfs/dbraw/zinc/33/00/71/572330071.db2.gz APXXIWDIHZXSSE-UHFFFAOYSA-N -1 3 280.287 3.198 20 0 CGADHM CN1CCCN(C(=O)c2cc3occc3[n-]2)c2ccccc21 ZINC000750887682 572331138 /nfs/dbraw/zinc/33/11/38/572331138.db2.gz VDUZBBKWDLWFHX-UHFFFAOYSA-N -1 3 295.342 3.248 20 0 CGADHM Cc1ccc(NC(=O)c2cc3occc3[n-]2)c(C)c1O ZINC000750915747 572335142 /nfs/dbraw/zinc/33/51/42/572335142.db2.gz XXOCEEZQOQNKDH-UHFFFAOYSA-N -1 3 270.288 3.336 20 0 CGADHM Cc1cccc2c1CC[C@H]2Nc1ccc(-c2nnn[n-]2)cc1 ZINC000737408125 572340262 /nfs/dbraw/zinc/34/02/62/572340262.db2.gz GHEBRCLAFXTQOL-MRXNPFEDSA-N -1 3 291.358 3.275 20 0 CGADHM Cc1cccc2c1CC[C@H]2Nc1ccc(-c2nn[n-]n2)cc1 ZINC000737408125 572340264 /nfs/dbraw/zinc/34/02/64/572340264.db2.gz GHEBRCLAFXTQOL-MRXNPFEDSA-N -1 3 291.358 3.275 20 0 CGADHM Cc1cc(CN[C@@H](C(=O)[O-])c2ccc(F)cc2)ccc1F ZINC000738389167 572373225 /nfs/dbraw/zinc/37/32/25/572373225.db2.gz OGZKRKHGDXTOJW-OAHLLOKOSA-N -1 3 291.297 3.189 20 0 CGADHM C[C@H](c1ccc2ccccc2c1)N1CC[C@H](NC(=O)[O-])C1 ZINC000739055541 572400752 /nfs/dbraw/zinc/40/07/52/572400752.db2.gz FRLGQQSLCZSTJB-WBMJQRKESA-N -1 3 284.359 3.243 20 0 CGADHM C[C@@H](c1ccccc1F)N1CCC(CN(C)C(=O)[O-])CC1 ZINC000739060908 572400998 /nfs/dbraw/zinc/40/09/98/572400998.db2.gz PWPHQTFBLQIXSD-LBPRGKRZSA-N -1 3 294.370 3.209 20 0 CGADHM Cc1cc(C(=O)N[C@@H](C)c2ccsc2)ccc1[O-] ZINC000232385648 572408383 /nfs/dbraw/zinc/40/83/83/572408383.db2.gz QJRJOVNTOLDBGA-JTQLQIEISA-N -1 3 261.346 3.253 20 0 CGADHM O=C([O-])[C@@H](NC/C=C/c1ccccc1)c1ccc(F)cc1 ZINC000739506415 572418557 /nfs/dbraw/zinc/41/85/57/572418557.db2.gz FWQYPNTVTDNBLO-RRGWEWPQSA-N -1 3 285.318 3.254 20 0 CGADHM Cc1ccc(-c2ccc(CNCCCNC(=O)[O-])o2)cc1 ZINC000740093973 572432345 /nfs/dbraw/zinc/43/23/45/572432345.db2.gz CXYZKUZGXFKLGN-UHFFFAOYSA-N -1 3 288.347 3.002 20 0 CGADHM O=C([O-])c1occc1CNC1(c2ccccc2)CCC1 ZINC000740281111 572438889 /nfs/dbraw/zinc/43/88/89/572438889.db2.gz KBVHFANLWBXVML-UHFFFAOYSA-N -1 3 271.316 3.147 20 0 CGADHM CO[N-]C(=O)C[C@H](Cc1ccccc1)c1ccccc1 ZINC000742043269 572550529 /nfs/dbraw/zinc/55/05/29/572550529.db2.gz YIKYJGGQZNDTJK-INIZCTEOSA-N -1 3 269.344 3.081 20 0 CGADHM Cc1ccc(-c2cc(C(=O)O[C@H]3C=CCCC3)[n-]n2)o1 ZINC000733451406 572577932 /nfs/dbraw/zinc/57/79/32/572577932.db2.gz NNDACKKDGVVFBZ-NSHDSACASA-N -1 3 272.304 3.244 20 0 CGADHM Cc1ccc(-c2cc(C(=O)O[C@H]3C=CCCC3)n[n-]2)o1 ZINC000733451406 572577935 /nfs/dbraw/zinc/57/79/35/572577935.db2.gz NNDACKKDGVVFBZ-NSHDSACASA-N -1 3 272.304 3.244 20 0 CGADHM C1=CC[C@@]2(CC1)CCCN(c1ccc(-c3nnn[n-]3)cc1)C2 ZINC000735400485 572719910 /nfs/dbraw/zinc/71/99/10/572719910.db2.gz QKBKOZLSALMQFO-QGZVFWFLSA-N -1 3 295.390 3.193 20 0 CGADHM C1=CC[C@@]2(CC1)CCCN(c1ccc(-c3nn[n-]n3)cc1)C2 ZINC000735400485 572719912 /nfs/dbraw/zinc/71/99/12/572719912.db2.gz QKBKOZLSALMQFO-QGZVFWFLSA-N -1 3 295.390 3.193 20 0 CGADHM CC(C)[C@H](C)CNc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000735701132 572738351 /nfs/dbraw/zinc/73/83/51/572738351.db2.gz JZJAXMGQXQKZHH-LLVKDONJSA-N -1 3 296.378 3.119 20 0 CGADHM CC(C)[C@H](C)CNc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000735701132 572738355 /nfs/dbraw/zinc/73/83/55/572738355.db2.gz JZJAXMGQXQKZHH-LLVKDONJSA-N -1 3 296.378 3.119 20 0 CGADHM CC(C)OCCS[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000735905214 572748406 /nfs/dbraw/zinc/74/84/06/572748406.db2.gz YNVOVCRREKCTIU-LLVKDONJSA-N -1 3 292.408 3.086 20 0 CGADHM CC(C)OCCS[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000735905214 572748410 /nfs/dbraw/zinc/74/84/10/572748410.db2.gz YNVOVCRREKCTIU-LLVKDONJSA-N -1 3 292.408 3.086 20 0 CGADHM CC(C)c1csc(Nc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000735938909 572751257 /nfs/dbraw/zinc/75/12/57/572751257.db2.gz HKSNALVNJSASKR-UHFFFAOYSA-N -1 3 286.364 3.190 20 0 CGADHM CC(C)c1csc(Nc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000735938909 572751259 /nfs/dbraw/zinc/75/12/59/572751259.db2.gz HKSNALVNJSASKR-UHFFFAOYSA-N -1 3 286.364 3.190 20 0 CGADHM C[C@H](CNc1cccc(F)c1-c1nnn[n-]1)C(C)(C)C ZINC000736024931 572762059 /nfs/dbraw/zinc/76/20/59/572762059.db2.gz CXFLIJWGMQASEU-SECBINFHSA-N -1 3 277.347 3.100 20 0 CGADHM C[C@H](CNc1cccc(F)c1-c1nn[n-]n1)C(C)(C)C ZINC000736024931 572762066 /nfs/dbraw/zinc/76/20/66/572762066.db2.gz CXFLIJWGMQASEU-SECBINFHSA-N -1 3 277.347 3.100 20 0 CGADHM C[C@H](CNc1ccc(-c2nnn[n-]2)cc1F)C(C)(C)C ZINC000736025317 572762299 /nfs/dbraw/zinc/76/22/99/572762299.db2.gz FZBQCOJZHDMKJW-SECBINFHSA-N -1 3 277.347 3.100 20 0 CGADHM C[C@H](CNc1ccc(-c2nn[n-]n2)cc1F)C(C)(C)C ZINC000736025317 572762301 /nfs/dbraw/zinc/76/23/01/572762301.db2.gz FZBQCOJZHDMKJW-SECBINFHSA-N -1 3 277.347 3.100 20 0 CGADHM CC(C)(C)SCCN[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000736288067 572779016 /nfs/dbraw/zinc/77/90/16/572779016.db2.gz VDXWTQMHMWPKKY-LBPRGKRZSA-N -1 3 285.384 3.073 20 0 CGADHM C[C@H]1CCCN(c2ccc(Cl)cc2-c2nnn[n-]2)CC1 ZINC000736279290 572779066 /nfs/dbraw/zinc/77/90/66/572779066.db2.gz XIOPZTYSKONZPU-JTQLQIEISA-N -1 3 291.786 3.147 20 0 CGADHM C[C@H]1CCCN(c2ccc(Cl)cc2-c2nn[n-]n2)CC1 ZINC000736279290 572779070 /nfs/dbraw/zinc/77/90/70/572779070.db2.gz XIOPZTYSKONZPU-JTQLQIEISA-N -1 3 291.786 3.147 20 0 CGADHM Cc1ccc([O-])c(C(=O)N[C@@H](c2ccccn2)C(C)C)c1 ZINC000736505644 572796678 /nfs/dbraw/zinc/79/66/78/572796678.db2.gz URKKLQUCYKJHDD-MRXNPFEDSA-N -1 3 284.359 3.223 20 0 CGADHM O=C(NCCOC1CCCC1)c1cc([O-])c2ccccc2c1 ZINC000353052485 572817083 /nfs/dbraw/zinc/81/70/83/572817083.db2.gz PSWAOLSJKSPQJQ-UHFFFAOYSA-N -1 3 299.370 3.234 20 0 CGADHM CC[C@@H](NCc1cccc(OCC(=O)[O-])c1)c1ccccc1 ZINC000736920583 572825068 /nfs/dbraw/zinc/82/50/68/572825068.db2.gz POCBTPBDXXHXNG-QGZVFWFLSA-N -1 3 299.370 3.391 20 0 CGADHM CC[C@H](NC(=O)c1cccc([O-])c1)C1CCCCC1 ZINC000052343721 572867827 /nfs/dbraw/zinc/86/78/27/572867827.db2.gz TWPKHXVPTICGHB-HNNXBMFYSA-N -1 3 261.365 3.481 20 0 CGADHM CCc1ccc([O-])c(C(=O)N[C@H](C)COc2ccccc2)c1 ZINC000748838849 572986809 /nfs/dbraw/zinc/98/68/09/572986809.db2.gz OKMQNGRPPGGDFW-CYBMUJFWSA-N -1 3 299.370 3.152 20 0 CGADHM Cc1ccc(CC(=O)[N-]OCc2cc(C)cc(C)c2)cc1 ZINC000749394465 572998283 /nfs/dbraw/zinc/99/82/83/572998283.db2.gz UREIJYUSUMQUGE-UHFFFAOYSA-N -1 3 283.371 3.402 20 0 CGADHM Cc1cccc([C@H](C)[N-]C(=O)C(F)(F)C(F)F)c1C ZINC000749397537 572999346 /nfs/dbraw/zinc/99/93/46/572999346.db2.gz WSKKJSBFDHNNRT-VIFPVBQESA-N -1 3 277.261 3.381 20 0 CGADHM CC(C)CO[N-]C(=O)CCc1cc(Cl)cs1 ZINC000750028638 573076387 /nfs/dbraw/zinc/07/63/87/573076387.db2.gz UQSVNAOJMKDCEM-UHFFFAOYSA-N -1 3 261.774 3.038 20 0 CGADHM O=C(OCc1cccc2cccnc21)c1ccc(F)cc1[O-] ZINC000750144412 573094737 /nfs/dbraw/zinc/09/47/37/573094737.db2.gz BHKWXAPSFSJASC-UHFFFAOYSA-N -1 3 297.285 3.437 20 0 CGADHM O=C(OCc1nc2ccccc2o1)c1ccc(F)cc1[O-] ZINC000750159512 573096128 /nfs/dbraw/zinc/09/61/28/573096128.db2.gz NZAOVBODBCVYER-UHFFFAOYSA-N -1 3 287.246 3.030 20 0 CGADHM Cc1ccc2c(c1)N(C(=O)c1cc3occc3[n-]1)CC2 ZINC000750811318 573181241 /nfs/dbraw/zinc/18/12/41/573181241.db2.gz FABXLEQRCBEFIJ-UHFFFAOYSA-N -1 3 266.300 3.272 20 0 CGADHM c1cc(N2CCC(C3CCCC3)CC2)ccc1-c1nn[n-]n1 ZINC000823751204 599082161 /nfs/dbraw/zinc/08/21/61/599082161.db2.gz AWLTVJRJDMDFCD-UHFFFAOYSA-N -1 3 297.406 3.273 20 0 CGADHM C[C@@H](NCc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1 ZINC000050920763 597207625 /nfs/dbraw/zinc/20/76/25/597207625.db2.gz NBQJPWBGHRAJFC-LLVKDONJSA-N -1 3 273.307 3.375 20 0 CGADHM C[C@H](NCc1cccc(C(=O)[O-])c1)c1ccc(Cl)nc1 ZINC000820147793 598192002 /nfs/dbraw/zinc/19/20/02/598192002.db2.gz GFMHFEDVOWUYSX-JTQLQIEISA-N -1 3 290.750 3.284 20 0 CGADHM Clc1cc(N2Cc3ccccc3C2)ccc1-c1nnn[n-]1 ZINC000737565847 598674310 /nfs/dbraw/zinc/67/43/10/598674310.db2.gz RRAKLFKPMKRFTD-UHFFFAOYSA-N -1 3 297.749 3.040 20 0 CGADHM Clc1cc(N2Cc3ccccc3C2)ccc1-c1nn[n-]n1 ZINC000737565847 598674311 /nfs/dbraw/zinc/67/43/11/598674311.db2.gz RRAKLFKPMKRFTD-UHFFFAOYSA-N -1 3 297.749 3.040 20 0 CGADHM Clc1ccc(-c2nnn[n-]2)c(N[C@@H]2CC=CCC2)c1 ZINC000737570730 599443276 /nfs/dbraw/zinc/44/32/76/599443276.db2.gz LNLDJJVPLLGWRR-SNVBAGLBSA-N -1 3 275.743 3.041 20 0 CGADHM Clc1ccc(-c2nn[n-]n2)c(N[C@@H]2CC=CCC2)c1 ZINC000737570730 599443280 /nfs/dbraw/zinc/44/32/80/599443280.db2.gz LNLDJJVPLLGWRR-SNVBAGLBSA-N -1 3 275.743 3.041 20 0 CGADHM CCOc1ccccc1CN[C@@H](C(=O)[O-])c1ccccc1 ZINC000050507952 599785008 /nfs/dbraw/zinc/78/50/08/599785008.db2.gz QIIHQHQOYDXOGB-MRXNPFEDSA-N -1 3 285.343 3.001 20 0 CGADHM O=C([O-])[C@@H](c1ccccc1F)N1CCc2ccccc2C1 ZINC000212255199 600981143 /nfs/dbraw/zinc/98/11/43/600981143.db2.gz RLVBABYKPNKYBY-MRXNPFEDSA-N -1 3 285.318 3.010 20 0 CGADHM O=C([O-])c1ccc(CN2CC[C@@H]2Cc2ccccc2)cc1F ZINC000833313092 601649459 /nfs/dbraw/zinc/64/94/59/601649459.db2.gz OPGGNFGUUYFAFT-OAHLLOKOSA-N -1 3 299.345 3.341 20 0 CGADHM O=C([O-])c1cc(CNC2(c3cccc(Cl)c3)CC2)c[nH]1 ZINC000833296832 601834824 /nfs/dbraw/zinc/83/48/24/601834824.db2.gz ZDMDWHQOOWBDQE-UHFFFAOYSA-N -1 3 290.750 3.145 20 0 CGADHM CCCc1nc(CNC2(CC(=O)[O-])CCCCC2)cs1 ZINC000829571010 601879591 /nfs/dbraw/zinc/87/95/91/601879591.db2.gz NODNICYCRHFAQA-UHFFFAOYSA-N -1 3 296.436 3.363 20 0 CGADHM CC[C@H](NCc1ccc(NC(=O)[O-])nc1)c1ccccc1 ZINC000826620013 603543934 /nfs/dbraw/zinc/54/39/34/603543934.db2.gz ODIWMUBONPIDTG-AWEZNQCLSA-N -1 3 285.347 3.412 20 0 CGADHM CCc1ccccc1CNCc1ccc(NC(=O)[O-])nc1 ZINC000827600949 603554570 /nfs/dbraw/zinc/55/45/70/603554570.db2.gz UPTSAIHDUFXRAF-UHFFFAOYSA-N -1 3 285.347 3.024 20 0 CGADHM Cc1cc(CN2Cc3ccccc3C[C@@H]2C(=O)[O-])ccc1F ZINC000316444693 604464721 /nfs/dbraw/zinc/46/47/21/604464721.db2.gz FNPJXLTZRIKSOJ-QGZVFWFLSA-N -1 3 299.345 3.146 20 0 CGADHM CN(CC(=O)[O-])Cc1cc(Cl)ccc1OC1CCCC1 ZINC000263409809 604538835 /nfs/dbraw/zinc/53/88/35/604538835.db2.gz LBAJVXNDSDDRKX-UHFFFAOYSA-N -1 3 297.782 3.178 20 0 CGADHM CCc1onc(C)c1C=Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000899373385 620681665 /nfs/dbraw/zinc/68/16/65/620681665.db2.gz HUYFEZMYWLABCU-SREVYHEPSA-N -1 3 271.320 3.089 20 0 CGADHM CCc1cnccc1[C@H](C)N[C@@H](C(=O)[O-])c1ccccc1 ZINC000833674838 605270756 /nfs/dbraw/zinc/27/07/56/605270756.db2.gz VASPKRFDNYKLCQ-BLLLJJGKSA-N -1 3 284.359 3.121 20 0 CGADHM O=C([O-])N[C@H]1C[C@@H](NCc2ccsc2)c2ccccc21 ZINC000834156475 605791994 /nfs/dbraw/zinc/79/19/94/605791994.db2.gz AKNDCVGHIXTLBM-KGLIPLIRSA-N -1 3 288.372 3.291 20 0 CGADHM C[C@@H]1CCC[C@H](C)N1Cc1cc(C(=O)[O-])ccc1F ZINC000231027905 605836760 /nfs/dbraw/zinc/83/67/60/605836760.db2.gz VQCPPNXIARATOZ-PHIMTYICSA-N -1 3 265.328 3.287 20 0 CGADHM Cc1cc(C)cc(CNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822196469 606438679 /nfs/dbraw/zinc/43/86/79/606438679.db2.gz KSHFQJHAIOMOMT-UHFFFAOYSA-N -1 3 279.347 3.096 20 0 CGADHM CC[C@@H](C)CSCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000820870218 606796117 /nfs/dbraw/zinc/79/61/17/606796117.db2.gz PFEYOWDCDXEGJP-LLVKDONJSA-N -1 3 292.408 3.025 20 0 CGADHM CC[C@H](C)CSCc1ccc(-c2nnn[n-]2)cc1F ZINC000820870001 606796266 /nfs/dbraw/zinc/79/62/66/606796266.db2.gz KVQBJARZSBSVSS-VIFPVBQESA-N -1 3 280.372 3.285 20 0 CGADHM CC[C@H](C)CSCc1ccc(-c2nn[n-]n2)cc1F ZINC000820870001 606796268 /nfs/dbraw/zinc/79/62/68/606796268.db2.gz KVQBJARZSBSVSS-VIFPVBQESA-N -1 3 280.372 3.285 20 0 CGADHM CC=C(C=CC(=O)Nc1cc(-c2nnn[n-]2)ccc1C)CC ZINC000820832667 607016784 /nfs/dbraw/zinc/01/67/84/607016784.db2.gz MPXAPUXTETVKFV-AYMHWXCPSA-N -1 3 297.362 3.026 20 0 CGADHM CC=C(C=CC(=O)Nc1cc(-c2nn[n-]n2)ccc1C)CC ZINC000820832667 607016786 /nfs/dbraw/zinc/01/67/86/607016786.db2.gz MPXAPUXTETVKFV-AYMHWXCPSA-N -1 3 297.362 3.026 20 0 CGADHM c1ccc2c(c1)CC(Sc1cccc(-c3nnn[n-]3)c1)C2 ZINC000823762453 607017619 /nfs/dbraw/zinc/01/76/19/607017619.db2.gz PNFGPOXDPYZXBP-UHFFFAOYSA-N -1 3 294.383 3.126 20 0 CGADHM c1ccc2c(c1)CC(Sc1cccc(-c3nn[n-]n3)c1)C2 ZINC000823762453 607017620 /nfs/dbraw/zinc/01/76/20/607017620.db2.gz PNFGPOXDPYZXBP-UHFFFAOYSA-N -1 3 294.383 3.126 20 0 CGADHM Fc1c(CSC2CCCC2)cccc1-c1nnn[n-]1 ZINC000826371138 608394725 /nfs/dbraw/zinc/39/47/25/608394725.db2.gz UZBQVMDHQRUOJA-UHFFFAOYSA-N -1 3 278.356 3.182 20 0 CGADHM Fc1c(CSC2CCCC2)cccc1-c1nn[n-]n1 ZINC000826371138 608394726 /nfs/dbraw/zinc/39/47/26/608394726.db2.gz UZBQVMDHQRUOJA-UHFFFAOYSA-N -1 3 278.356 3.182 20 0 CGADHM CCc1cc(NCc2ccc(-c3nnn[n-]3)s2)ccc1C ZINC000825700520 609346366 /nfs/dbraw/zinc/34/63/66/609346366.db2.gz IQIYZJGYJBBQQQ-UHFFFAOYSA-N -1 3 299.403 3.411 20 0 CGADHM Cc1cc(=O)[n-]c(CSc2cccc(Cl)c2)n1 ZINC000090238347 617613449 /nfs/dbraw/zinc/61/34/49/617613449.db2.gz HFRHFMAJHVEWHP-UHFFFAOYSA-N -1 3 266.753 3.024 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CC3(CC3)Oc3ccccc32)c1 ZINC000890621636 617710855 /nfs/dbraw/zinc/71/08/55/617710855.db2.gz IWKOOXBWPXYYJS-UHFFFAOYSA-N -1 3 295.338 3.272 20 0 CGADHM O=C1[N-]C(=O)/C(=C/c2cc3ccccc3o2)c2ccccc21 ZINC000255206607 618079449 /nfs/dbraw/zinc/07/94/49/618079449.db2.gz KOABIWZOBLYXFC-XNTDXEJSSA-N -1 3 289.290 3.243 20 0 CGADHM Cc1ccc([C@@H](C)NC(=O)c2ccccc2[O-])s1 ZINC000042375500 620821800 /nfs/dbraw/zinc/82/18/00/620821800.db2.gz TZINTGPNZUHFLE-SNVBAGLBSA-N -1 3 261.346 3.253 20 0 CGADHM CCc1ccc(CC)c(NC([O-])=NO[C@H]2CCCCO2)c1 ZINC000161475935 618679013 /nfs/dbraw/zinc/67/90/13/618679013.db2.gz YUNYTYPELOFMFZ-HNNXBMFYSA-N -1 3 292.379 3.391 20 0 CGADHM CCc1ccc(CC)c(NC(=O)[N-]O[C@H]2CCCCO2)c1 ZINC000161475935 618679016 /nfs/dbraw/zinc/67/90/16/618679016.db2.gz YUNYTYPELOFMFZ-HNNXBMFYSA-N -1 3 292.379 3.391 20 0 CGADHM Cc1oc(C(=O)[O-])cc1CN[C@@H]1CCCc2ccccc21 ZINC000235830575 618828397 /nfs/dbraw/zinc/82/83/97/618828397.db2.gz PSYIHBPBBRWNLA-OAHLLOKOSA-N -1 3 285.343 3.453 20 0 CGADHM O=C([O-])c1occc1CN[C@H]1CCCc2sccc21 ZINC000236476792 618857646 /nfs/dbraw/zinc/85/76/46/618857646.db2.gz QVLMDZNUYAKHSS-NSHDSACASA-N -1 3 277.345 3.207 20 0 CGADHM CCCOc1cccc(CC(=O)[N-]OCc2ccccc2)c1 ZINC000178279735 618922111 /nfs/dbraw/zinc/92/21/11/618922111.db2.gz UOUROFRVXOBMRI-UHFFFAOYSA-N -1 3 299.370 3.266 20 0 CGADHM C[C@H](c1ccco1)N(C)Cc1cc(=O)oc2cc([O-])ccc12 ZINC000182104870 619032209 /nfs/dbraw/zinc/03/22/09/619032209.db2.gz UYGAHPSSEHUJDI-LLVKDONJSA-N -1 3 299.326 3.285 20 0 CGADHM Cc1c(NCc2ccc([O-])c(F)c2)cnn1CC(C)C ZINC000893293601 619072913 /nfs/dbraw/zinc/07/29/13/619072913.db2.gz DSBLHUWLEZPDSQ-UHFFFAOYSA-N -1 3 277.343 3.304 20 0 CGADHM CCC(F)(F)C(=O)[N-]Cc1cc(F)ccc1OC(F)F ZINC000856225965 619122396 /nfs/dbraw/zinc/12/23/96/619122396.db2.gz PHNLWAHIOYHHNS-UHFFFAOYSA-N -1 3 297.223 3.089 20 0 CGADHM C[C@@H](NCc1ccc([O-])c(F)c1)c1nc(C(C)(C)C)no1 ZINC000893970931 619341831 /nfs/dbraw/zinc/34/18/31/619341831.db2.gz HTQCNHCAIOPYBI-SECBINFHSA-N -1 3 293.342 3.063 20 0 CGADHM CC(C)Cn1ccc(C(=O)Nc2cc(Cl)ccc2[O-])n1 ZINC000895847583 619896671 /nfs/dbraw/zinc/89/66/71/619896671.db2.gz OORXRUDZAKJIQO-UHFFFAOYSA-N -1 3 293.754 3.150 20 0 CGADHM C[C@H]1C[C@H](NC(=O)c2cc3sccc3c([O-])c2)CS1 ZINC000840511025 619934635 /nfs/dbraw/zinc/93/46/35/619934635.db2.gz SJUUMARPMRRGCD-WPRPVWTQSA-N -1 3 293.413 3.231 20 0 CGADHM C[C@H](OCC(F)(F)F)c1noc(-c2ccccc2[O-])n1 ZINC000896606478 620037013 /nfs/dbraw/zinc/03/70/13/620037013.db2.gz LMVMAPLFLGBBGC-ZETCQYMHSA-N -1 3 288.225 3.082 20 0 CGADHM CC(C)CC1(C(=O)[N-]OCc2ccccn2)CCCC1 ZINC000909536095 620072994 /nfs/dbraw/zinc/07/29/94/620072994.db2.gz PEVLWUPCRKKURU-UHFFFAOYSA-N -1 3 276.380 3.236 20 0 CGADHM C[C@H]1C[C@@H](C(=O)[O-])CN(Cc2ccc(Cl)c(F)c2)C1 ZINC000263101581 620291474 /nfs/dbraw/zinc/29/14/74/620291474.db2.gz BAPWRICVMFTEFB-GXSJLCMTSA-N -1 3 285.746 3.022 20 0 CGADHM CC(C)c1c[nH]c(C=Cc2nc(C(F)(F)F)cc(=O)[n-]2)n1 ZINC000901532304 620915634 /nfs/dbraw/zinc/91/56/34/620915634.db2.gz PZKXCKMKUVNLQI-ARJAWSKDSA-N -1 3 298.268 3.218 20 0 CGADHM O=C([O-])c1coc(CNCCSCc2ccccc2)c1 ZINC000901953656 621078863 /nfs/dbraw/zinc/07/88/63/621078863.db2.gz AHZIKWFJVPXGHK-UHFFFAOYSA-N -1 3 291.372 3.001 20 0 CGADHM O=C([O-])c1cccc(CN[C@@H](c2cccs2)C2CC2)n1 ZINC000902082444 621129919 /nfs/dbraw/zinc/12/99/19/621129919.db2.gz CGPMEGSPDUTRGO-CQSZACIVSA-N -1 3 288.372 3.082 20 0 CGADHM CCc1nc([C@H](C)N[C@@H]2CC[C@@H](C(=O)[O-])[C@@H](C)C2)cs1 ZINC000902253509 621209610 /nfs/dbraw/zinc/20/96/10/621209610.db2.gz VZAVLSHRIYCQRS-NNYUYHANSA-N -1 3 296.436 3.246 20 0 CGADHM COc1cc(CO[N-]C(=O)CCC2CCCCC2)sn1 ZINC000902241999 621218578 /nfs/dbraw/zinc/21/85/78/621218578.db2.gz VHLLDBYDLBWSED-UHFFFAOYSA-N -1 3 298.408 3.060 20 0 CGADHM COc1cc(C)cc(CNCc2cc(C(=O)[O-])cs2)c1 ZINC000902296762 621243778 /nfs/dbraw/zinc/24/37/78/621243778.db2.gz HLKPNZJNEFNCKY-UHFFFAOYSA-N -1 3 291.372 3.053 20 0 CGADHM C[C@H](CC(C)(C)CC(=O)[O-])N[C@H]1C[C@@]1(F)c1ccccc1 ZINC000902340888 621253132 /nfs/dbraw/zinc/25/31/32/621253132.db2.gz KXGZXVZRPJXDMV-HACGYAERSA-N -1 3 293.382 3.493 20 0 CGADHM C[C@@H]1C[C@H](N[C@@H]2C[C@]2(F)c2ccccc2)CC[C@@H]1C(=O)[O-] ZINC000902340704 621253583 /nfs/dbraw/zinc/25/35/83/621253583.db2.gz JCNNNXRWSHSDJQ-AQFIFQLPSA-N -1 3 291.366 3.103 20 0 CGADHM C[C@@H]1C[C@H](N[C@@H]2C[C@@]2(F)c2ccccc2)CC[C@@H]1C(=O)[O-] ZINC000902340706 621253866 /nfs/dbraw/zinc/25/38/66/621253866.db2.gz JCNNNXRWSHSDJQ-OQAPJDJNSA-N -1 3 291.366 3.103 20 0 CGADHM Cc1cccc2c1CCC[C@H]2NCc1cccc(C(=O)[O-])n1 ZINC000902466719 621338140 /nfs/dbraw/zinc/33/81/40/621338140.db2.gz SELJLYIZXFUOQF-MRXNPFEDSA-N -1 3 296.370 3.255 20 0 CGADHM Cc1ccc(F)c(CN([C@H](C)C(=O)[O-])C2CCC2)c1F ZINC000903608997 621771135 /nfs/dbraw/zinc/77/11/35/621771135.db2.gz QTPXUBWJIRIZDZ-SNVBAGLBSA-N -1 3 283.318 3.101 20 0 CGADHM O=C([O-])c1cccc(CN[C@H](c2ccccn2)C2CC2)c1 ZINC000903703547 621793476 /nfs/dbraw/zinc/79/34/76/621793476.db2.gz GBXLFQXKLZRBLE-INIZCTEOSA-N -1 3 282.343 3.021 20 0 CGADHM CC(C)(/C=C/Cl)NCc1ccc(C(=O)[O-])s1 ZINC000903710899 621797476 /nfs/dbraw/zinc/79/74/76/621797476.db2.gz UVPCGSPTDOIFGY-AATRIKPKSA-N -1 3 259.758 3.067 20 0 CGADHM C[C@H]1CSCCCN1Cc1ccc(C(=O)[O-])c(Cl)c1 ZINC000903957411 621836193 /nfs/dbraw/zinc/83/61/93/621836193.db2.gz NJVNOPATMDVMMC-JTQLQIEISA-N -1 3 299.823 3.366 20 0 CGADHM CC(C)CCC[C@H](NCc1c(F)cccc1F)C(=O)[O-] ZINC000904037746 621857405 /nfs/dbraw/zinc/85/74/05/621857405.db2.gz BDFGAKGDZNZEHM-AWEZNQCLSA-N -1 3 285.334 3.334 20 0 CGADHM O=C(Nc1cccc([O-])c1F)[C@@H]1CCOC2(CCCC2)C1 ZINC000907161402 622285574 /nfs/dbraw/zinc/28/55/74/622285574.db2.gz GWKNBOLAGNYWHJ-LLVKDONJSA-N -1 3 293.338 3.209 20 0 CGADHM Cc1cccc(CO[N-]C(=O)C(C)(C)Cc2ccccc2)n1 ZINC000912630177 622684097 /nfs/dbraw/zinc/68/40/97/622684097.db2.gz GDTZBGIIINHOCL-UHFFFAOYSA-N -1 3 298.386 3.207 20 0 CGADHM CC(C)c1ccc2c(c1)C(=N[N-]c1cnccn1)C(=O)N2 ZINC000044655112 622817641 /nfs/dbraw/zinc/81/76/41/622817641.db2.gz PNRVCMHTKASYLK-UHFFFAOYSA-N -1 3 281.319 3.018 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2cnc(Cl)c(C)c2)c1 ZINC000228071052 623038714 /nfs/dbraw/zinc/03/87/14/623038714.db2.gz ZMJPWPYGDIEDCA-UHFFFAOYSA-N -1 3 276.723 3.310 20 0 CGADHM CCc1cnc(CNCc2ccc([O-])c(Cl)c2)s1 ZINC000230707263 623264938 /nfs/dbraw/zinc/26/49/38/623264938.db2.gz XZOPEVJQZINRIQ-UHFFFAOYSA-N -1 3 282.796 3.354 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2ccc3c(c2)CCCN3C)c1 ZINC000920820114 624545115 /nfs/dbraw/zinc/54/51/15/624545115.db2.gz OZMBKVPRDBRNKO-UHFFFAOYSA-N -1 3 296.370 3.335 20 0 CGADHM O=C([N-]CCCSCCc1ccccc1)C(F)(F)F ZINC000091619156 625865193 /nfs/dbraw/zinc/86/51/93/625865193.db2.gz GXDJNSMNJCTQHM-UHFFFAOYSA-N -1 3 291.338 3.031 20 0 CGADHM Cc1cncc([C@H]2CCCN2Cc2ccc(C(=O)[O-])cc2)c1 ZINC000873648795 634469878 /nfs/dbraw/zinc/46/98/78/634469878.db2.gz OPGANAWMELEORV-QGZVFWFLSA-N -1 3 296.370 3.425 20 0 CGADHM CC[C@@]1(C(=O)[O-])CCCN(Cc2c(F)ccc(C)c2F)C1 ZINC000923473319 626156943 /nfs/dbraw/zinc/15/69/43/626156943.db2.gz SZUJYCYWRIIKGG-MRXNPFEDSA-N -1 3 297.345 3.350 20 0 CGADHM COc1cccc2cc(C=Cc3nccc(=O)[n-]3)oc21 ZINC000742220902 626175049 /nfs/dbraw/zinc/17/50/49/626175049.db2.gz CUAJIDMCMNIHOX-WAYWQWQTSA-N -1 3 268.272 3.107 20 0 CGADHM C/C=C(\C)C(=O)Nc1ccc(Br)cc1[O-] ZINC000751350016 626385529 /nfs/dbraw/zinc/38/55/29/626385529.db2.gz CNMNCZXOYNDLAH-XVNBXDOJSA-N -1 3 270.126 3.059 20 0 CGADHM CCOc1ccc(SCc2nc(C)cc(=O)[n-]2)cc1 ZINC000754449891 626572522 /nfs/dbraw/zinc/57/25/22/626572522.db2.gz HHLMOOWQEIHREM-UHFFFAOYSA-N -1 3 276.361 3.182 20 0 CGADHM CCCc1nnc([N-]C(=O)c2cc(Cl)cs2)s1 ZINC000757858286 626810785 /nfs/dbraw/zinc/81/07/85/626810785.db2.gz SEDDNNPWUMUWDU-UHFFFAOYSA-N -1 3 287.797 3.458 20 0 CGADHM COc1ccc(/C=C/C(=O)Nc2cc(F)ccc2[O-])cc1 ZINC000759702222 626916657 /nfs/dbraw/zinc/91/66/57/626916657.db2.gz SXNUUVQUZDMNQS-RUDMXATFSA-N -1 3 287.290 3.192 20 0 CGADHM CC(C)CC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000761604264 627053350 /nfs/dbraw/zinc/05/33/50/627053350.db2.gz ZJEDFWLUOSTYTF-UHFFFAOYSA-N -1 3 261.365 3.291 20 0 CGADHM Cc1ccc(OCCSCc2nc(C)cc(=O)[n-]2)cc1 ZINC000761861317 627068767 /nfs/dbraw/zinc/06/87/67/627068767.db2.gz QINCLYOVTPPHQA-UHFFFAOYSA-N -1 3 290.388 3.111 20 0 CGADHM O=c1ccnc(C=Cc2cccc(Cl)c2F)[n-]1 ZINC000764434557 627207236 /nfs/dbraw/zinc/20/72/36/627207236.db2.gz KCNYRELRHGCZJI-SNAWJCMRSA-N -1 3 250.660 3.145 20 0 CGADHM O=c1ccnc(C=Cc2cccc(OC(F)(F)F)c2)[n-]1 ZINC000764443934 627208082 /nfs/dbraw/zinc/20/80/82/627208082.db2.gz ZZKYPXILIPZCMV-PLNGDYQASA-N -1 3 282.221 3.251 20 0 CGADHM O=C(Nc1cccc([O-])c1F)C(F)(F)c1ccccc1F ZINC000765879334 627276526 /nfs/dbraw/zinc/27/65/26/627276526.db2.gz HKUVLOYQAJVIKF-UHFFFAOYSA-N -1 3 299.223 3.401 20 0 CGADHM O=c1ccnc(C=Cc2ccc(F)cc2Cl)[n-]1 ZINC000767727590 627432914 /nfs/dbraw/zinc/43/29/14/627432914.db2.gz ADVQXXLMABMIRW-RQOWECAXSA-N -1 3 250.660 3.145 20 0 CGADHM CC(C)CO[N-]C(=O)C1(CCOCc2ccccc2)CC1 ZINC000771437612 627709536 /nfs/dbraw/zinc/70/95/36/627709536.db2.gz QSOIRRNBYZDLPD-UHFFFAOYSA-N -1 3 291.391 3.077 20 0 CGADHM COc1cccc(NC(=O)c2ccc(C)c(C)c2[O-])c1F ZINC000771524537 627717129 /nfs/dbraw/zinc/71/71/29/627717129.db2.gz SXQQKZJXNQQUMB-UHFFFAOYSA-N -1 3 289.306 3.409 20 0 CGADHM COCCO[N-]C(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2 ZINC000772133796 627765878 /nfs/dbraw/zinc/76/58/78/627765878.db2.gz COKMVTSJGDHYPU-UHFFFAOYSA-N -1 3 295.423 3.067 20 0 CGADHM C[C@H]1C[C@@H](CC(=O)[N-]OC2CCOCC2)CC(C)(C)C1 ZINC000772724085 627818067 /nfs/dbraw/zinc/81/80/67/627818067.db2.gz CAPBCEWFOFIDQQ-STQMWFEESA-N -1 3 283.412 3.066 20 0 CGADHM CC(C)[C@@H]1C[C@@H](CC(=O)[N-]Oc2ccccc2F)CCO1 ZINC000874910499 634649410 /nfs/dbraw/zinc/64/94/10/634649410.db2.gz SJBDFPQPWFMHFL-WFASDCNBSA-N -1 3 295.354 3.077 20 0 CGADHM Cc1cc(Br)ccc1C=C1SC(=O)[N-]C1=O ZINC000874928717 634653857 /nfs/dbraw/zinc/65/38/57/634653857.db2.gz QZSZQZLNPFYRFK-UITAMQMPSA-N -1 3 298.161 3.081 20 0 CGADHM O=C(Cc1cccc2ccccc21)[N-]OCCC1CC1 ZINC000783559167 628725593 /nfs/dbraw/zinc/72/55/93/628725593.db2.gz YCUYJSNRIBQOSH-UHFFFAOYSA-N -1 3 269.344 3.230 20 0 CGADHM C[C@H](OC(=O)c1cncc([O-])c1)c1cccc(Cl)c1F ZINC000783625227 628733083 /nfs/dbraw/zinc/73/30/83/628733083.db2.gz RJAYWRMWZCCDGY-QMMMGPOBSA-N -1 3 295.697 3.498 20 0 CGADHM Cc1noc(C)c1[N-]C(=O)c1c(C)occ1C(F)(F)F ZINC000875251138 634686785 /nfs/dbraw/zinc/68/67/85/634686785.db2.gz OBQXEMHNOQQTKN-UHFFFAOYSA-N -1 3 288.225 3.464 20 0 CGADHM Cc1ccc2nc(COC(=O)c3cc4occc4[n-]3)cn2c1 ZINC000786028627 628907908 /nfs/dbraw/zinc/90/79/08/628907908.db2.gz JQFUWNXTPXPIRB-UHFFFAOYSA-N -1 3 295.298 3.074 20 0 CGADHM Cc1ccccc1OCCOC(=O)c1cc2occc2[n-]1 ZINC000786033173 628908592 /nfs/dbraw/zinc/90/85/92/628908592.db2.gz YLMBDIWRZMNEPU-UHFFFAOYSA-N -1 3 285.299 3.305 20 0 CGADHM CC(C)(C)C(=O)COC(=O)c1cc2sccc2c([O-])c1 ZINC000786138623 628915649 /nfs/dbraw/zinc/91/56/49/628915649.db2.gz WNAHTUUQLWBEBZ-UHFFFAOYSA-N -1 3 292.356 3.379 20 0 CGADHM C[C@@H]1CC[C@H](COC(=O)c2cc3sccc3c([O-])c2)O1 ZINC000786131877 628915794 /nfs/dbraw/zinc/91/57/94/628915794.db2.gz RWYHJGYYQFXQNN-MWLCHTKSSA-N -1 3 292.356 3.331 20 0 CGADHM O=C(OC[C@H]1CCCCO1)c1cc2sccc2c([O-])c1 ZINC000786130698 628915934 /nfs/dbraw/zinc/91/59/34/628915934.db2.gz FKPAPRCBDGPSDR-LLVKDONJSA-N -1 3 292.356 3.333 20 0 CGADHM Cc1ccc(C(=O)Nc2cccc(C(C)(C)O)c2)c([O-])c1 ZINC000790064939 629181811 /nfs/dbraw/zinc/18/18/11/629181811.db2.gz DGVLQHMHJDMMJU-UHFFFAOYSA-N -1 3 285.343 3.180 20 0 CGADHM C[C@H](Cc1ccco1)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000792053377 629334244 /nfs/dbraw/zinc/33/42/44/629334244.db2.gz VHURMDGIDCACBZ-GFCCVEGCSA-N -1 3 295.338 3.499 20 0 CGADHM CC(C)CCCCCC(=O)NCc1ncccc1[O-] ZINC000792609526 629370524 /nfs/dbraw/zinc/37/05/24/629370524.db2.gz ANLMNLRISGBPFZ-UHFFFAOYSA-N -1 3 264.369 3.010 20 0 CGADHM Cc1ccc(C=Cc2nccc(=O)[n-]2)cc1Br ZINC000119030758 629420783 /nfs/dbraw/zinc/42/07/83/629420783.db2.gz JZBFLBLANVMNGT-SNAWJCMRSA-N -1 3 291.148 3.011 20 0 CGADHM CC(C)(CC(=O)[N-]OC[C@@H]1CCOC1)C1CCCCC1 ZINC000793939523 629508460 /nfs/dbraw/zinc/50/84/60/629508460.db2.gz RVSLHLPSGSEGPC-CYBMUJFWSA-N -1 3 283.412 3.067 20 0 CGADHM CSCCO[N-]C(=O)CCCCc1ccc(C)cc1 ZINC000794191272 629521151 /nfs/dbraw/zinc/52/11/51/629521151.db2.gz RXEUXYNAYGPGHB-UHFFFAOYSA-N -1 3 281.421 3.119 20 0 CGADHM Cc1ccc2c(CC(=O)[N-]OC/C=C\Cl)coc2c1 ZINC000794293385 629531058 /nfs/dbraw/zinc/53/10/58/629531058.db2.gz OIHZDITZTXSYRK-DJWKRKHSSA-N -1 3 279.723 3.084 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)CCCc1ccsc1 ZINC000794861881 629590933 /nfs/dbraw/zinc/59/09/33/629590933.db2.gz BQSRLCVUQIXXHO-NSHDSACASA-N -1 3 255.383 3.165 20 0 CGADHM O=C([N-]c1nc(C2CC2)no1)c1cccc(C(F)F)c1F ZINC000863879120 629688893 /nfs/dbraw/zinc/68/88/93/629688893.db2.gz ZGXRFDIQDLIOHK-UHFFFAOYSA-N -1 3 297.236 3.276 20 0 CGADHM CC(C)[C@@H](C(=O)[O-])[C@@H](C)NCc1nc(C(C)(C)C)cs1 ZINC000864517734 629850768 /nfs/dbraw/zinc/85/07/68/629850768.db2.gz YJUSMECRXSALQV-ZWNOBZJWSA-N -1 3 298.452 3.276 20 0 CGADHM CCc1ccccc1[C@H](CC(=O)[O-])NCc1cccnc1C ZINC000864527251 629854852 /nfs/dbraw/zinc/85/48/52/629854852.db2.gz CFAHNXSCROQPIU-KRWDZBQOSA-N -1 3 298.386 3.258 20 0 CGADHM CCCOc1ccc(NC([O-])=NO[C@H]2CCCCO2)cc1 ZINC000120571000 630138827 /nfs/dbraw/zinc/13/88/27/630138827.db2.gz LVKBFRWTILEDKK-AWEZNQCLSA-N -1 3 294.351 3.055 20 0 CGADHM CCCOc1ccc(NC(=O)[N-]O[C@H]2CCCCO2)cc1 ZINC000120571000 630138831 /nfs/dbraw/zinc/13/88/31/630138831.db2.gz LVKBFRWTILEDKK-AWEZNQCLSA-N -1 3 294.351 3.055 20 0 CGADHM Cc1ccc(CC(=O)[N-]OCCCC(C)(C)C)cc1 ZINC000799175736 630153146 /nfs/dbraw/zinc/15/31/46/630153146.db2.gz MYBSERTXQBEZSB-UHFFFAOYSA-N -1 3 263.381 3.412 20 0 CGADHM Cc1ccc(C(F)(F)C(=O)[N-]C2(C(F)F)CC2)cc1 ZINC000800337250 630266721 /nfs/dbraw/zinc/26/67/21/630266721.db2.gz YKTZRYMCWWRIOV-UHFFFAOYSA-N -1 3 275.245 3.001 20 0 CGADHM O=C(OC[C@@H]1Cc2ccccc21)c1cc2occc2[n-]1 ZINC000803500004 630483527 /nfs/dbraw/zinc/48/35/27/630483527.db2.gz GQIPEGKGMWONEE-NSHDSACASA-N -1 3 267.284 3.258 20 0 CGADHM O=C(c1c[n-]c2ccccc2c1=O)N1CCCCCCCC1 ZINC000836924837 634830163 /nfs/dbraw/zinc/83/01/63/634830163.db2.gz SWTAGJCIESLDHZ-UHFFFAOYSA-N -1 3 298.386 3.325 20 0 CGADHM COC[C@@H](C)OC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000810582678 630897535 /nfs/dbraw/zinc/89/75/35/630897535.db2.gz ASBIJUQMBPQINK-ZCFIWIBFSA-N -1 3 273.741 3.075 20 0 CGADHM O=C(OCCOCC1CC1)c1cc2cc(Cl)sc2[n-]1 ZINC000811394050 631061230 /nfs/dbraw/zinc/06/12/30/631061230.db2.gz JFBHQFHJYAHBSH-UHFFFAOYSA-N -1 3 299.779 3.466 20 0 CGADHM CC(C)OCCO[N-]C(=O)CCc1ccc(C(C)C)cc1 ZINC000812802564 631316957 /nfs/dbraw/zinc/31/69/57/631316957.db2.gz PTQXJGXYYWJDDF-UHFFFAOYSA-N -1 3 293.407 3.215 20 0 CGADHM CC(C)OCCO[N-]C(=O)C[C@H]1C[C@H](C)CC(C)(C)C1 ZINC000812808834 631317781 /nfs/dbraw/zinc/31/77/81/631317781.db2.gz LFSKNCDMOBYLLJ-UONOGXRCSA-N -1 3 285.428 3.312 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)[C@H](C)Cn1ccc2ccccc21 ZINC000816975697 632066308 /nfs/dbraw/zinc/06/63/08/632066308.db2.gz MQJPZTYAMUWEIV-UONOGXRCSA-N -1 3 288.391 3.371 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)C1(Cc2ccc(F)cc2)CC1 ZINC000816980625 632069859 /nfs/dbraw/zinc/06/98/59/632069859.db2.gz PHIYZVKOLOEDGQ-GFCCVEGCSA-N -1 3 279.355 3.242 20 0 CGADHM CCCCc1ccc(CC(=O)[N-]OCC2CC2)cc1 ZINC000817325145 632121406 /nfs/dbraw/zinc/12/14/06/632121406.db2.gz YKVDFPAWTXTMEY-UHFFFAOYSA-N -1 3 261.365 3.030 20 0 CGADHM O=C(Cc1ccc(-c2ccccc2)cc1)[N-]OCC1CC1 ZINC000817334295 632125069 /nfs/dbraw/zinc/12/50/69/632125069.db2.gz HVRSMELFXXPNIB-UHFFFAOYSA-N -1 3 281.355 3.354 20 0 CGADHM C[C@@H]1C[C@@H](CC(=O)[N-]OCC2CC2)CC(C)(C)C1 ZINC000817362252 632131907 /nfs/dbraw/zinc/13/19/07/632131907.db2.gz JSDROKXJEJEWHZ-YPMHNXCESA-N -1 3 253.386 3.297 20 0 CGADHM O=C(Cc1ccc(Cl)c(Cl)c1)[N-]OCCC1CC1 ZINC000817388502 632135918 /nfs/dbraw/zinc/13/59/18/632135918.db2.gz XPSDRDCBTUWBHM-UHFFFAOYSA-N -1 3 288.174 3.384 20 0 CGADHM COc1ccccc1C[C@H](C)CC(=O)[N-]OCCC1CC1 ZINC000817437362 632157124 /nfs/dbraw/zinc/15/71/24/632157124.db2.gz KXGDHHDEXVEIOZ-ZDUSSCGKSA-N -1 3 291.391 3.112 20 0 CGADHM Nc1ccc(C(=O)N2CCC3(CCCCC3)CC2)c([O-])c1 ZINC000817933113 632236371 /nfs/dbraw/zinc/23/63/71/632236371.db2.gz ZIQQYSBDMRIEPT-UHFFFAOYSA-N -1 3 288.391 3.161 20 0 CGADHM CCCC[C@@H]1CCC[C@H]1NC(=O)c1ccc(N)cc1[O-] ZINC000817933384 632236381 /nfs/dbraw/zinc/23/63/81/632236381.db2.gz CDQQKKROQWSNPX-BXUZGUMPSA-N -1 3 276.380 3.063 20 0 CGADHM CCCO[N-]C(=O)CCCCOc1cccc(C)c1 ZINC000844083616 635817603 /nfs/dbraw/zinc/81/76/03/635817603.db2.gz QHPVMCYDNAIMHG-UHFFFAOYSA-N -1 3 265.353 3.002 20 0 CGADHM CCC(F)(F)C(=O)[N-]Cc1ccc(Cl)s1 ZINC000821271715 632746760 /nfs/dbraw/zinc/74/67/60/632746760.db2.gz HWBJIKNACUCGKG-UHFFFAOYSA-N -1 3 253.701 3.063 20 0 CGADHM CCO[N-]C(=O)c1c(F)ccc(SCC2CC2)c1F ZINC000822341703 632908229 /nfs/dbraw/zinc/90/82/29/632908229.db2.gz GMCXACCEATWXAQ-UHFFFAOYSA-N -1 3 287.331 3.148 20 0 CGADHM CCC(CC)SCc1cccc(-c2nnn[n-]2)c1F ZINC000825114057 633330339 /nfs/dbraw/zinc/33/03/39/633330339.db2.gz ITLYNLGKTKZGAQ-UHFFFAOYSA-N -1 3 280.372 3.428 20 0 CGADHM CCC(CC)SCc1cccc(-c2nn[n-]n2)c1F ZINC000825114057 633330340 /nfs/dbraw/zinc/33/03/40/633330340.db2.gz ITLYNLGKTKZGAQ-UHFFFAOYSA-N -1 3 280.372 3.428 20 0 CGADHM Cc1cc2c(CC(=O)[N-]OC(C)C)csc2s1 ZINC000868658525 633348614 /nfs/dbraw/zinc/34/86/14/633348614.db2.gz YNTUCXPJIXYQOS-UHFFFAOYSA-N -1 3 269.391 3.270 20 0 CGADHM Clc1cccc(SCC2CC2)c1-c1nnn[n-]1 ZINC000826353582 633408895 /nfs/dbraw/zinc/40/88/95/633408895.db2.gz VYIITJJQWXYDLL-UHFFFAOYSA-N -1 3 266.757 3.022 20 0 CGADHM Clc1cccc(SCC2CC2)c1-c1nn[n-]n1 ZINC000826353582 633408900 /nfs/dbraw/zinc/40/89/00/633408900.db2.gz VYIITJJQWXYDLL-UHFFFAOYSA-N -1 3 266.757 3.022 20 0 CGADHM CN(Cc1cccs1)Cc1ccccc1CC(=O)[O-] ZINC000123515534 633712131 /nfs/dbraw/zinc/71/21/31/633712131.db2.gz HFELWHOLPYCZRQ-UHFFFAOYSA-N -1 3 275.373 3.007 20 0 CGADHM O=C(CCc1cccs1)[N-]OCCCC(F)(F)F ZINC000871210637 633727249 /nfs/dbraw/zinc/72/72/49/633727249.db2.gz SKVTZPVAGZIIBV-UHFFFAOYSA-N -1 3 281.299 3.071 20 0 CGADHM CC[C@@H](CC(=O)[N-]OCCCC(F)(F)F)C(C)C ZINC000871211599 633727807 /nfs/dbraw/zinc/72/78/07/633727807.db2.gz WEFFGWDAJLSJPO-JTQLQIEISA-N -1 3 269.307 3.449 20 0 CGADHM Cc1cc(C)cc(CC(=O)[N-]OCCCC(F)(F)F)c1 ZINC000871216813 633731331 /nfs/dbraw/zinc/73/13/31/633731331.db2.gz AQXMYSLSQXNIMT-UHFFFAOYSA-N -1 3 289.297 3.236 20 0 CGADHM Cc1noc(C(C)C)c1[N-]C(=O)c1cc(C(F)F)ncn1 ZINC000830199448 633838708 /nfs/dbraw/zinc/83/87/08/633838708.db2.gz AORDAJBGTFCLTJ-UHFFFAOYSA-N -1 3 296.277 3.086 20 0 CGADHM Cc1c2occ([O-])c2ccc1OCc1nc2c(o1)CCCC2 ZINC000871800112 633871933 /nfs/dbraw/zinc/87/19/33/633871933.db2.gz VMLYDCYCRMGPRT-UHFFFAOYSA-N -1 3 299.326 3.016 20 0 CGADHM Cc1[n-]n(Cc2cccc(Cl)c2Cl)c(=O)c1F ZINC000871959707 633928345 /nfs/dbraw/zinc/92/83/45/633928345.db2.gz PESDRJYDAZRCMS-JTQLQIEISA-N -1 3 275.110 3.050 20 0 CGADHM CCc1[n-]n(C[C@@H]2CCCC2(F)F)c(=O)c1C(C)C ZINC000871962823 633930990 /nfs/dbraw/zinc/93/09/90/633930990.db2.gz HIWIALIEPVAOSQ-JQWIXIFHSA-N -1 3 272.339 3.302 20 0 CGADHM COc1ccc(CN[C@@H](C)c2cccc([O-])c2F)cc1 ZINC000872016100 633937024 /nfs/dbraw/zinc/93/70/24/633937024.db2.gz DQGHRFZGIIPOQG-NSHDSACASA-N -1 3 275.323 3.391 20 0 CGADHM C[C@@]1(CNC(=O)c2cc([O-])c3ccccc3c2)CCCCO1 ZINC000832470757 634064030 /nfs/dbraw/zinc/06/40/30/634064030.db2.gz GHQNLNYIWNJRSV-SFHVURJKSA-N -1 3 299.370 3.234 20 0 CGADHM CC=C(C=CC(=O)OCc1cc(=O)[n-]c(C2CC2)n1)CC ZINC000837582555 634942055 /nfs/dbraw/zinc/94/20/55/634942055.db2.gz SMBSSHVJZPYWHE-MJYGYMJXSA-N -1 3 288.347 3.015 20 0 CGADHM CC(C)(C)CC(=O)[N-]OCc1cccc(Cl)c1 ZINC000842060083 635270455 /nfs/dbraw/zinc/27/04/55/635270455.db2.gz FNGWYGJJSDTOLK-UHFFFAOYSA-N -1 3 255.745 3.324 20 0 CGADHM CCCO[N-]C(=O)C[C@@H](CC)c1ccc(OC)cc1 ZINC000844085638 635818001 /nfs/dbraw/zinc/81/80/01/635818001.db2.gz IEJGQJIAUJORNI-GFCCVEGCSA-N -1 3 265.353 3.037 20 0 CGADHM CCCO[N-]C(=O)CC1(CSc2ccccc2)CC1 ZINC000844088559 635819260 /nfs/dbraw/zinc/81/92/60/635819260.db2.gz WDLFRSDBJQQPKQ-UHFFFAOYSA-N -1 3 279.405 3.407 20 0 CGADHM O=C(Nc1cccc([O-])c1F)C(F)(F)c1ccccc1 ZINC000128796377 636076665 /nfs/dbraw/zinc/07/66/65/636076665.db2.gz MFWRWBLWXKKTEC-UHFFFAOYSA-N -1 3 281.233 3.262 20 0 CGADHM CCCCOc1ccc(C(=O)N2CCC(F)CC2)c([O-])c1 ZINC000881611877 636168904 /nfs/dbraw/zinc/16/89/04/636168904.db2.gz WJKSCCUZUQKXGL-UHFFFAOYSA-N -1 3 295.354 3.145 20 0 CGADHM O=C([O-])[C@H]1CN(Cc2ccc(CF)cc2)Cc2ccccc21 ZINC000846270856 636170355 /nfs/dbraw/zinc/17/03/55/636170355.db2.gz OOOJMYPOMCYRCG-KRWDZBQOSA-N -1 3 299.345 3.340 20 0 CGADHM CCOC(=O)c1c(C)[n-]c(=O)nc1SCCC(C)(C)C ZINC000882295660 636303873 /nfs/dbraw/zinc/30/38/73/636303873.db2.gz WPPVMOSSFBPOOX-UHFFFAOYSA-N -1 3 298.408 3.196 20 0 CGADHM [O-]c1ccc(F)c(CNC[C@H]2CCC3(CCCC3)O2)c1F ZINC000848929185 636700439 /nfs/dbraw/zinc/70/04/39/636700439.db2.gz UICOCSPDOALNAX-LLVKDONJSA-N -1 3 297.345 3.252 20 0 CGADHM Cc1ccc2c(c1)CN(Cc1ccccc1CC(=O)[O-])CC2 ZINC000849344895 636815214 /nfs/dbraw/zinc/81/52/14/636815214.db2.gz SCODQTHCZOLXTN-UHFFFAOYSA-N -1 3 295.382 3.180 20 0 CGADHM O=C([N-]CCCSC[C@@H]1CC[C@@H]2C[C@@H]2C1)C(F)(F)F ZINC000853781164 637920508 /nfs/dbraw/zinc/92/05/08/637920508.db2.gz KITLYZYOOUEYEC-MXWKQRLJSA-N -1 3 295.370 3.224 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CC[C@H](O)c3ccccc32)c1 ZINC000889264542 637992387 /nfs/dbraw/zinc/99/23/87/637992387.db2.gz XNHPPAWBFWARIN-KRWDZBQOSA-N -1 3 297.354 3.039 20 0 CGADHM O=C(CCCc1ccccc1)[N-]OCc1cccc(F)c1 ZINC000112335184 638069960 /nfs/dbraw/zinc/06/99/60/638069960.db2.gz AXMOTRJATFMFBD-UHFFFAOYSA-N -1 3 287.334 3.396 20 0 CGADHM CC(=O)[C@H]1CCCCN1C(=O)c1cc([O-])c2ccccc2c1 ZINC000854724115 638095960 /nfs/dbraw/zinc/09/59/60/638095960.db2.gz LZZJADHQRMRPPD-MRXNPFEDSA-N -1 3 297.354 3.129 20 0 CGADHM O=C(CCC(=O)c1ccc(Cl)cc1)[N-]OCC1CCC1 ZINC000856343101 638344841 /nfs/dbraw/zinc/34/48/41/638344841.db2.gz UMAMFAWYEBBHEE-UHFFFAOYSA-N -1 3 295.766 3.151 20 0 CGADHM C[C@@H](Cn1ccc2ccccc21)C(=O)[N-]OCC1CCC1 ZINC000856352052 638351384 /nfs/dbraw/zinc/35/13/84/638351384.db2.gz WMHLGBOPRSJFCH-ZDUSSCGKSA-N -1 3 286.375 3.125 20 0 CGADHM C/C=C\COc1cccc(CC(=O)[N-]OCC2CCC2)c1 ZINC000856352022 638351397 /nfs/dbraw/zinc/35/13/97/638351397.db2.gz UQRHGFIHSSFBAR-IHWYPQMZSA-N -1 3 289.375 3.032 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)c1c(F)ccc(F)c1Cl ZINC000857266621 638485539 /nfs/dbraw/zinc/48/55/39/638485539.db2.gz XXGOUKOWGPWDMZ-ZETCQYMHSA-N -1 3 277.698 3.326 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2cc3c(cn2)CCCC3)c1 ZINC000857512860 638513345 /nfs/dbraw/zinc/51/33/45/638513345.db2.gz CWYWYCWOGJPZOW-UHFFFAOYSA-N -1 3 282.343 3.227 20 0 CGADHM CC(C)(C)SCCSc1cc(Cl)nc(=O)[n-]1 ZINC000858518334 638753296 /nfs/dbraw/zinc/75/32/96/638753296.db2.gz PDONMTQHLGFJHU-UHFFFAOYSA-N -1 3 278.830 3.459 20 0 CGADHM CC[C@@H](C)CON=c1[n-]cc(Br)cc1F ZINC000858552295 638760405 /nfs/dbraw/zinc/76/04/05/638760405.db2.gz RPRQJSCKFNOBQA-SSDOTTSWSA-N -1 3 277.137 3.373 20 0 CGADHM CCO[C@@H](COC(=O)c1cc(Cl)c(Cl)[n-]1)C1CC1 ZINC000859484589 639150533 /nfs/dbraw/zinc/15/05/33/639150533.db2.gz LUQOETHLODPJPM-JTQLQIEISA-N -1 3 292.162 3.293 20 0 CGADHM CSc1ccc(CN2CCC3(C[C@H]3C(=O)[O-])CC2)s1 ZINC000859806841 639220049 /nfs/dbraw/zinc/22/00/49/639220049.db2.gz ORGVGOKVJSNVNN-NSHDSACASA-N -1 3 297.445 3.157 20 0 CGADHM O=C([N-]OCC(F)(F)F)C1(CCc2ccccc2)CC1 ZINC000934902792 639708030 /nfs/dbraw/zinc/70/80/30/639708030.db2.gz NQGQHJDYFMTKPB-UHFFFAOYSA-N -1 3 287.281 3.010 20 0 CGADHM O=C(Cc1cccc2ccccc21)[N-]OCC1CCC1 ZINC000158001728 639996701 /nfs/dbraw/zinc/99/67/01/639996701.db2.gz QBSCGJGIHGGIAJ-UHFFFAOYSA-N -1 3 269.344 3.230 20 0 CGADHM O=C([N-]Cc1ccoc1)C(F)(F)c1cccc(Cl)c1 ZINC000049289554 640088019 /nfs/dbraw/zinc/08/80/19/640088019.db2.gz GYJXIHYPAHQEJK-UHFFFAOYSA-N -1 3 285.677 3.341 20 0 CGADHM C[C@](O)(C/N=C/c1cc(Cl)ccc1[O-])c1ccsc1 ZINC000077490330 640242777 /nfs/dbraw/zinc/24/27/77/640242777.db2.gz JGMZOVKFRLQDCU-WBNYAZSOSA-N -1 3 295.791 3.434 20 0 CGADHM CCCc1cc(=O)[n-]c(C(=Cc2ccc(F)nc2)CC)n1 ZINC000193617865 640478763 /nfs/dbraw/zinc/47/87/63/640478763.db2.gz FLMXLDIVHWWMAA-WQLSENKSSA-N -1 3 287.338 3.207 20 0 CGADHM Cc1cccc(CSCCC[N-]C(=O)C(F)(F)F)c1 ZINC000091606629 640716672 /nfs/dbraw/zinc/71/66/72/640716672.db2.gz QPAQRMQLBQPEPM-UHFFFAOYSA-N -1 3 291.338 3.297 20 0 CGADHM Fc1cnc(-c2nc3c([n-]2)c(F)cc(F)c3F)c(F)c1 ZINC001250531158 805679384 /nfs/dbraw/zinc/67/93/84/805679384.db2.gz CIGRQABHDSDSGX-UHFFFAOYSA-N -1 3 285.175 3.320 20 0 CGADHM COc1cc2[nH]c(-c3cccc(F)c3[O-])nc2cc1C ZINC001250683985 805754677 /nfs/dbraw/zinc/75/46/77/805754677.db2.gz VIKRHJHAUKQEEW-UHFFFAOYSA-N -1 3 272.279 3.392 20 0 CGADHM CN(C)c1ccc2[nH]c(-c3cc(F)ccc3[O-])nc2c1 ZINC001250837789 805786886 /nfs/dbraw/zinc/78/68/86/805786886.db2.gz LJFOUSLRXGRMOV-UHFFFAOYSA-N -1 3 271.295 3.141 20 0 CGADHM COc1ccc2nc(-c3ccncc3[O-])n(C3CC3)c2c1 ZINC001250858100 805789582 /nfs/dbraw/zinc/78/95/82/805789582.db2.gz PSEXUOWKGQXHKL-UHFFFAOYSA-N -1 3 281.315 3.147 20 0 CGADHM COc1ccc2nc(-c3cccc([O-])c3F)n(C)c2c1 ZINC001251254978 805871807 /nfs/dbraw/zinc/87/18/07/805871807.db2.gz DWKXNSOSZPJVLS-UHFFFAOYSA-N -1 3 272.279 3.094 20 0 CGADHM C[C@H](NC(F)(F)c1cc(Cl)nc(=S)[n-]1)C(C)(C)C ZINC001157877992 805891923 /nfs/dbraw/zinc/89/19/23/805891923.db2.gz HBXUGOIEHQOEJK-LURJTMIESA-N -1 3 295.786 3.492 20 0 CGADHM Cn1c(-c2cc([O-])cc(F)c2)nc2cccc(F)c21 ZINC001251570035 805907706 /nfs/dbraw/zinc/90/77/06/805907706.db2.gz QGOJRBIUKIOEEM-UHFFFAOYSA-N -1 3 260.243 3.224 20 0 CGADHM Cc1ccc2nc(NCc3ncccc3[O-])ccc2c1 ZINC001158770992 806001284 /nfs/dbraw/zinc/00/12/84/806001284.db2.gz PKZUSHWBDPLBAC-UHFFFAOYSA-N -1 3 265.316 3.256 20 0 CGADHM [O-]c1cccnc1CNc1ccc2cc(F)ccc2n1 ZINC001158774567 806002560 /nfs/dbraw/zinc/00/25/60/806002560.db2.gz OHNBVSIYEBTTTH-UHFFFAOYSA-N -1 3 269.279 3.087 20 0 CGADHM Cc1cc(NCc2ncccc2[O-])nc2ccccc12 ZINC001158773963 806002783 /nfs/dbraw/zinc/00/27/83/806002783.db2.gz FNXQHKLLYGDCCR-UHFFFAOYSA-N -1 3 265.316 3.256 20 0 CGADHM O=S(=O)(Cc1ccccc1)[N-]c1cccc2ccncc21 ZINC001252872592 806136955 /nfs/dbraw/zinc/13/69/55/806136955.db2.gz CIXWVJJXCVRRER-UHFFFAOYSA-N -1 3 298.367 3.177 20 0 CGADHM Cc1ccc(F)c(N)c1C(=O)Nc1c([O-])cccc1Cl ZINC001159657126 806142460 /nfs/dbraw/zinc/14/24/60/806142460.db2.gz JKSQJMGVMYTFGH-UHFFFAOYSA-N -1 3 294.713 3.328 20 0 CGADHM CCCOc1ccc(Nc2cc(=O)[n-]c(=S)[nH]2)cc1F ZINC001211665886 814929610 /nfs/dbraw/zinc/92/96/10/814929610.db2.gz JCTHXMRSZUTPQS-UHFFFAOYSA-N -1 3 295.339 3.142 20 0 CGADHM CCCCC[C@@H](O)CNc1ccc([O-])c(F)c1F ZINC001253544415 806245838 /nfs/dbraw/zinc/24/58/38/806245838.db2.gz MBFXZJUELQRJQR-SECBINFHSA-N -1 3 259.296 3.024 20 0 CGADHM CCCS(=O)(=O)[N-]c1ccccc1OC(CC)CC ZINC001253710758 806282687 /nfs/dbraw/zinc/28/26/87/806282687.db2.gz MEPWIGKLMJEEPC-UHFFFAOYSA-N -1 3 285.409 3.406 20 0 CGADHM Cc1c(Cl)cc(NC[C@H](O)C(C)C)c([O-])c1Cl ZINC001253772475 806305241 /nfs/dbraw/zinc/30/52/41/806305241.db2.gz IGDODGGNXHFNKR-JTQLQIEISA-N -1 3 278.179 3.436 20 0 CGADHM Clc1cc(-c2nnc(Cc3cccc(Cl)c3)o2)[n-]n1 ZINC001254468204 806411322 /nfs/dbraw/zinc/41/13/22/806411322.db2.gz OOUHVARVCVVBNP-UHFFFAOYSA-N -1 3 295.129 3.357 20 0 CGADHM CCCCC[C@H](C)NC(=O)c1ccc(OC)cc1[O-] ZINC000025346178 798839964 /nfs/dbraw/zinc/83/99/64/798839964.db2.gz QYYGOJDTVUANGC-NSHDSACASA-N -1 3 265.353 3.099 20 0 CGADHM Cc1ccc(C(=O)NC[C@H]2CCC[C@H](C)C2)c([O-])c1 ZINC000235621894 799144420 /nfs/dbraw/zinc/14/44/20/799144420.db2.gz GVXWGMWQYCRTDW-AAEUAGOBSA-N -1 3 261.365 3.257 20 0 CGADHM COCc1ccc(NC(=O)c2cc([O-])ccc2Cl)cc1 ZINC000383528720 799404116 /nfs/dbraw/zinc/40/41/16/799404116.db2.gz LMOFSMDFNIEEAY-UHFFFAOYSA-N -1 3 291.734 3.444 20 0 CGADHM Cc1ccc(C(=O)NC[C@@H]2CCCC2(C)C)c([O-])c1 ZINC000388991282 799458566 /nfs/dbraw/zinc/45/85/66/799458566.db2.gz AISCKRHDZPRMBG-LBPRGKRZSA-N -1 3 261.365 3.257 20 0 CGADHM O=C(Nc1cccc([O-])c1F)C(=O)c1ccc(Cl)s1 ZINC001255815338 806758356 /nfs/dbraw/zinc/75/83/56/806758356.db2.gz OONSBZRPJMXOJV-UHFFFAOYSA-N -1 3 299.710 3.068 20 0 CGADHM COc1cccc([O-])c1C(=O)N1CCCC(C)(C)CC1 ZINC000405279997 799582758 /nfs/dbraw/zinc/58/27/58/799582758.db2.gz AVURBZLDAYRJGQ-UHFFFAOYSA-N -1 3 277.364 3.053 20 0 CGADHM Cc1cc(Cl)ccc1CN1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000405314194 799582927 /nfs/dbraw/zinc/58/29/27/799582927.db2.gz HSDJRZKOIJRUCP-CQSZACIVSA-N -1 3 293.794 3.335 20 0 CGADHM COc1ccc2c(c1)CN(Cc1ccc([O-])c(F)c1)C2 ZINC000692920686 799803196 /nfs/dbraw/zinc/80/31/96/799803196.db2.gz GGTBNOORYVEPOX-UHFFFAOYSA-N -1 3 273.307 3.056 20 0 CGADHM CC(C)CC[C@H](N)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000704599171 799937442 /nfs/dbraw/zinc/93/74/42/799937442.db2.gz QFARUWWLAXWSOP-NSHDSACASA-N -1 3 279.315 3.017 20 0 CGADHM Cc1cnc(Cl)c(NC(=O)c2c(C)cccc2[O-])c1 ZINC000706669027 799963767 /nfs/dbraw/zinc/96/37/67/799963767.db2.gz NMKKJJQKBVVZGA-UHFFFAOYSA-N -1 3 276.723 3.310 20 0 CGADHM Cc1cccc([O-])c1-c1nc(-c2ccccc2)no1 ZINC000706628711 799964834 /nfs/dbraw/zinc/96/48/34/799964834.db2.gz WXYDZAUQSKVJPQ-UHFFFAOYSA-N -1 3 252.273 3.418 20 0 CGADHM Cc1ccc(CN(C)Cc2cc(C(=O)[O-])cs2)s1 ZINC000711387552 800053459 /nfs/dbraw/zinc/05/34/59/800053459.db2.gz CWJYEBALEBVKBG-UHFFFAOYSA-N -1 3 281.402 3.448 20 0 CGADHM CC(C)[C@@H]1CN(Cc2cc(C(=O)[O-])cs2)CCS1 ZINC000711407376 800056170 /nfs/dbraw/zinc/05/61/70/800056170.db2.gz OPCMWCZPJUMRTE-LBPRGKRZSA-N -1 3 285.434 3.020 20 0 CGADHM CSC1CCC(CNC(=O)c2ccccc2[O-])CC1 ZINC000720540524 800261220 /nfs/dbraw/zinc/26/12/20/800261220.db2.gz MCOFGRCEPSWSQH-UHFFFAOYSA-N -1 3 279.405 3.044 20 0 CGADHM CCCCCc1nnc(Cc2ccc([O-])cc2F)o1 ZINC001256093457 806818265 /nfs/dbraw/zinc/81/82/65/806818265.db2.gz OACXSWXYCWRQSX-UHFFFAOYSA-N -1 3 264.300 3.238 20 0 CGADHM S=c1ccc(N[C@@H](c2ccccc2)c2ccncc2)n[n-]1 ZINC001164068443 806885649 /nfs/dbraw/zinc/88/56/49/806885649.db2.gz HWRLFWLQGALIDV-INIZCTEOSA-N -1 3 294.383 3.362 20 0 CGADHM CCCCc1cccc(NCC[N-]C(=O)C(F)(F)F)c1 ZINC001164251313 806923882 /nfs/dbraw/zinc/92/38/82/806923882.db2.gz QFDGZCDLHIBEOT-UHFFFAOYSA-N -1 3 288.313 3.120 20 0 CGADHM C[C@H]1C[C@@H]1c1nnc(-c2cc(O)c3ccccc3c2[O-])o1 ZINC001256626123 806929831 /nfs/dbraw/zinc/92/98/31/806929831.db2.gz QDMIGVAANFQCCO-KWQFWETISA-N -1 3 282.299 3.424 20 0 CGADHM C[C@@H]1C[C@@H]1c1nnc(-c2cc([O-])cc(Cl)c2)o1 ZINC001256749331 806971253 /nfs/dbraw/zinc/97/12/53/806971253.db2.gz TXCYLFIENMSTCJ-LDWIPMOCSA-N -1 3 250.685 3.219 20 0 CGADHM CC(C)c1cnc(CN[C@@H](C)[C@@H](C(=O)[O-])C(C)C)s1 ZINC001118091336 802525271 /nfs/dbraw/zinc/52/52/71/802525271.db2.gz WNNCCXSVEDQXGI-GWCFXTLKSA-N -1 3 284.425 3.101 20 0 CGADHM CC(C)c1nc(CN[C@H](CC(=O)[O-])C2CCCC2)cs1 ZINC001119611649 802684584 /nfs/dbraw/zinc/68/45/84/802684584.db2.gz KNKOUQCCNCKVHE-CYBMUJFWSA-N -1 3 296.436 3.390 20 0 CGADHM [O-]c1cc(F)c(Nc2ccn3ccnc3c2)cc1F ZINC001204992012 812813211 /nfs/dbraw/zinc/81/32/11/812813211.db2.gz XJOUDPWBMYJMEX-UHFFFAOYSA-N -1 3 261.231 3.062 20 0 CGADHM COc1cc(-c2c([O-])cccc2Cl)c(F)cn1 ZINC001244045411 803159369 /nfs/dbraw/zinc/15/93/69/803159369.db2.gz XHDCIICYBOKVJV-UHFFFAOYSA-N -1 3 253.660 3.255 20 0 CGADHM COc1cccc(-c2ccccc2-c2nnn[n-]2)c1C1CC1 ZINC001244246537 803261285 /nfs/dbraw/zinc/26/12/85/803261285.db2.gz OPVLXGODYXAZQU-UHFFFAOYSA-N -1 3 292.342 3.420 20 0 CGADHM COc1cccc(-c2ccccc2-c2nn[n-]n2)c1C1CC1 ZINC001244246537 803261289 /nfs/dbraw/zinc/26/12/89/803261289.db2.gz OPVLXGODYXAZQU-UHFFFAOYSA-N -1 3 292.342 3.420 20 0 CGADHM [O-]c1cccc(Nc2cncnc2Cl)c1Cl ZINC001210844447 814649041 /nfs/dbraw/zinc/64/90/41/814649041.db2.gz IEDUNZZEUGYJTR-UHFFFAOYSA-N -1 3 256.092 3.233 20 0 CGADHM COC(=O)c1ccccc1-c1ccc(Cl)cc1[O-] ZINC001244469527 803385839 /nfs/dbraw/zinc/38/58/39/803385839.db2.gz LMYJMCNPZIKAJM-UHFFFAOYSA-N -1 3 262.692 3.499 20 0 CGADHM CN1Cc2cccc(-c3ccc(Cl)cc3[O-])c2C1=O ZINC001244470104 803386163 /nfs/dbraw/zinc/38/61/63/803386163.db2.gz ZYRBDCGFHFRFEK-UHFFFAOYSA-N -1 3 273.719 3.298 20 0 CGADHM CC(=O)Nc1ccc(-c2ccc(Cl)cc2[O-])c(C)n1 ZINC001244471306 803387700 /nfs/dbraw/zinc/38/77/00/803387700.db2.gz FIRNBGNBIBVOGY-UHFFFAOYSA-N -1 3 276.723 3.374 20 0 CGADHM Cc1c2nc[nH]c2ncc1-c1ccc(Cl)cc1[O-] ZINC001244473608 803388202 /nfs/dbraw/zinc/38/82/02/803388202.db2.gz UVIGZTOQLHOZHS-UHFFFAOYSA-N -1 3 259.696 3.292 20 0 CGADHM CN1C(=O)NCc2cccc(-c3ccc(Cl)cc3[O-])c21 ZINC001244473172 803388611 /nfs/dbraw/zinc/38/86/11/803388611.db2.gz TVUXQJLEDOYVIM-UHFFFAOYSA-N -1 3 288.734 3.372 20 0 CGADHM Cc1cc(-c2ncnc3c2SCCC3)cc([O-])c1F ZINC001244506200 803409710 /nfs/dbraw/zinc/40/97/10/803409710.db2.gz DSWIDCXHRPXCON-UHFFFAOYSA-N -1 3 276.336 3.335 20 0 CGADHM Cc1cc(-c2nccnc2OC2CCC2)cc([O-])c1F ZINC001244505558 803409792 /nfs/dbraw/zinc/40/97/92/803409792.db2.gz AKILDUQOMXCNPP-UHFFFAOYSA-N -1 3 274.295 3.228 20 0 CGADHM Cc1ccc2c(ncnc2-c2cc(C)c(F)c([O-])c2)n1 ZINC001244507009 803411627 /nfs/dbraw/zinc/41/16/27/803411627.db2.gz KQETYRITSHLJGA-UHFFFAOYSA-N -1 3 269.279 3.153 20 0 CGADHM Cc1cc2ncnc(-c3cc(C)c(F)c([O-])c3)c2[nH]1 ZINC001244507324 803411753 /nfs/dbraw/zinc/41/17/53/803411753.db2.gz MJWIVOAMGGVAGD-UHFFFAOYSA-N -1 3 257.268 3.086 20 0 CGADHM Cc1cc(-c2cc(C)c(F)c([O-])c2)nc2[nH]cnc21 ZINC001244507283 803411946 /nfs/dbraw/zinc/41/19/46/803411946.db2.gz LBPDNFNXXKKPAN-UHFFFAOYSA-N -1 3 257.268 3.086 20 0 CGADHM Cc1cc(-c2cccc3c2CCN(C)C3=O)cc([O-])c1F ZINC001244524945 803417366 /nfs/dbraw/zinc/41/73/66/803417366.db2.gz JNXKGESSUHCDKF-UHFFFAOYSA-N -1 3 285.318 3.135 20 0 CGADHM Cc1cc(-c2ccc3nccn3c2C)cc([O-])c1F ZINC001244524555 803417535 /nfs/dbraw/zinc/41/75/35/803417535.db2.gz BKJHUQPERCGYDM-UHFFFAOYSA-N -1 3 256.280 3.463 20 0 CGADHM CCOC(=O)c1cnc(C)c(-c2cc(C)c(F)c([O-])c2)c1 ZINC001244525676 803418321 /nfs/dbraw/zinc/41/83/21/803418321.db2.gz SCQCQNDDSAEOSJ-UHFFFAOYSA-N -1 3 289.306 3.387 20 0 CGADHM COc1ccnc(F)c1-c1cc(C)c(F)c([O-])c1 ZINC001244531226 803421366 /nfs/dbraw/zinc/42/13/66/803421366.db2.gz WVDCWZWSXXBGEN-UHFFFAOYSA-N -1 3 251.232 3.049 20 0 CGADHM Cc1cc(Cl)ncc1-c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001244915943 803575779 /nfs/dbraw/zinc/57/57/79/803575779.db2.gz FVSPIIKSWOHVLU-UHFFFAOYSA-N -1 3 289.701 3.030 20 0 CGADHM Cc1cc(Cl)ncc1-c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001244915943 803575781 /nfs/dbraw/zinc/57/57/81/803575781.db2.gz FVSPIIKSWOHVLU-UHFFFAOYSA-N -1 3 289.701 3.030 20 0 CGADHM CC(C)c1cc([N-]C(=O)c2ccc(Br)o2)no1 ZINC001135187165 803576193 /nfs/dbraw/zinc/57/61/93/803576193.db2.gz RCXSNFRQVOMGRF-UHFFFAOYSA-N -1 3 299.124 3.406 20 0 CGADHM Fc1cccc2oc(-c3ccc(Cc4nnn[n-]4)cc3)cc21 ZINC001244928774 803580724 /nfs/dbraw/zinc/58/07/24/803580724.db2.gz XVMHGMONIBOGOR-UHFFFAOYSA-N -1 3 294.289 3.343 20 0 CGADHM Fc1cccc2oc(-c3ccc(Cc4nn[n-]n4)cc3)cc21 ZINC001244928774 803580729 /nfs/dbraw/zinc/58/07/29/803580729.db2.gz XVMHGMONIBOGOR-UHFFFAOYSA-N -1 3 294.289 3.343 20 0 CGADHM Fc1ccc(-c2cccc(-c3nnn[n-]3)c2)c2occc21 ZINC001244932886 803582366 /nfs/dbraw/zinc/58/23/66/803582366.db2.gz WWFJGOLIHUOTCA-UHFFFAOYSA-N -1 3 280.262 3.419 20 0 CGADHM Fc1ccc(-c2cccc(-c3nn[n-]n3)c2)c2occc21 ZINC001244932886 803582369 /nfs/dbraw/zinc/58/23/69/803582369.db2.gz WWFJGOLIHUOTCA-UHFFFAOYSA-N -1 3 280.262 3.419 20 0 CGADHM Cc1cc(-c2cccc(CN(C)C)n2)cc(C)c1C(=O)[O-] ZINC001244946397 803586630 /nfs/dbraw/zinc/58/66/30/803586630.db2.gz ORDWXTJEGSLZKP-UHFFFAOYSA-N -1 3 284.359 3.125 20 0 CGADHM CCc1cccc(C(=O)Nc2cccc(F)c2)c1[O-] ZINC001135507976 803600933 /nfs/dbraw/zinc/60/09/33/803600933.db2.gz OZWMPJFFVOAKCO-UHFFFAOYSA-N -1 3 259.280 3.346 20 0 CGADHM CSc1ccc([O-])c(C(=O)NCc2ccccc2F)c1 ZINC001135548157 803603795 /nfs/dbraw/zinc/60/37/95/803603795.db2.gz SJJPIZBJGKEYTL-UHFFFAOYSA-N -1 3 291.347 3.183 20 0 CGADHM Cc1ccc(NC(=O)c2cccc3c2C(=O)CC3)c([O-])c1 ZINC001135745496 803612182 /nfs/dbraw/zinc/61/21/82/803612182.db2.gz XQPFPIJVVJOURF-UHFFFAOYSA-N -1 3 281.311 3.082 20 0 CGADHM CCc1ccc(C(=O)NCc2ccc(F)c(C)c2)c([O-])c1 ZINC001135925848 803620749 /nfs/dbraw/zinc/62/07/49/803620749.db2.gz SXICDCBNJBIBNU-UHFFFAOYSA-N -1 3 287.334 3.332 20 0 CGADHM Cc1cc(-c2cc(Cl)ccc2[O-])c2ncnn2c1 ZINC001245051164 803623019 /nfs/dbraw/zinc/62/30/19/803623019.db2.gz QNMWRDKKEQNFKW-UHFFFAOYSA-N -1 3 259.696 3.064 20 0 CGADHM [O-]c1ccc(-c2ncc3c(n2)CCCC3)c(Cl)c1 ZINC001245079460 803634888 /nfs/dbraw/zinc/63/48/88/803634888.db2.gz OFBHFIJXDWZIMA-UHFFFAOYSA-N -1 3 260.724 3.381 20 0 CGADHM O=c1cnc(-c2ccc([O-])cc2Cl)cn1-c1ccccc1 ZINC001245084292 803638261 /nfs/dbraw/zinc/63/82/61/803638261.db2.gz WZLLDRJDYADYTM-UHFFFAOYSA-N -1 3 298.729 3.259 20 0 CGADHM Cc1cccc([O-])c1C(=O)NCCO[C@H]1CCCC[C@@H]1C ZINC001136266583 803638432 /nfs/dbraw/zinc/63/84/32/803638432.db2.gz VOIXGZQNIANIBQ-WFASDCNBSA-N -1 3 291.391 3.026 20 0 CGADHM [O-]c1ccc(Nc2cc(C(F)(F)F)no2)c(F)c1F ZINC001212000193 814964662 /nfs/dbraw/zinc/96/46/62/814964662.db2.gz RQUXGTCRSIVGMG-UHFFFAOYSA-N -1 3 280.152 3.421 20 0 CGADHM COc1nccc(Nc2cc(F)c([O-])cc2F)c1Cl ZINC001211952688 814961097 /nfs/dbraw/zinc/96/10/97/814961097.db2.gz PKVPICQSXGZXKD-UHFFFAOYSA-N -1 3 286.665 3.471 20 0 CGADHM CC(C)(C)c1nc([N-]c2ccc(O)c(F)c2F)no1 ZINC001211997710 814965018 /nfs/dbraw/zinc/96/50/18/814965018.db2.gz HMOBWNSOOBCYDG-UHFFFAOYSA-N -1 3 269.251 3.095 20 0 CGADHM COc1ccc(C(=O)N2CCCCC[C@@H]2C(C)C)c([O-])c1 ZINC001137857655 803786216 /nfs/dbraw/zinc/78/62/16/803786216.db2.gz XCBOCOGEUMEDBW-OAHLLOKOSA-N -1 3 291.391 3.442 20 0 CGADHM CC1(C)COc2cc(Nc3ccc([O-])c(F)c3F)nn2C1 ZINC001212005588 814965900 /nfs/dbraw/zinc/96/59/00/814965900.db2.gz PFBJRBPDCUAMFJ-UHFFFAOYSA-N -1 3 295.289 3.029 20 0 CGADHM COC(=O)c1ccc(Nc2ccc([O-])c(F)c2F)cc1F ZINC001212009887 814966705 /nfs/dbraw/zinc/96/67/05/814966705.db2.gz WRJCHAAVAAFOTI-UHFFFAOYSA-N -1 3 297.232 3.340 20 0 CGADHM Cc1ccc(N)cc1Nc1ccc([O-])c(F)c1F ZINC001212011018 814967095 /nfs/dbraw/zinc/96/70/95/814967095.db2.gz MTVAAEDCFOPFMC-UHFFFAOYSA-N -1 3 250.248 3.305 20 0 CGADHM O=C(Nc1ccc(Cl)cc1[O-])c1cncc2[nH]ccc21 ZINC001138015219 803825363 /nfs/dbraw/zinc/82/53/63/803825363.db2.gz VVWFVXSXZDMVBS-UHFFFAOYSA-N -1 3 287.706 3.174 20 0 CGADHM CC(C)c1ccc(C(=O)Nc2cc(F)ccc2[O-])c(=O)[nH]1 ZINC001138015996 803825726 /nfs/dbraw/zinc/82/57/26/803825726.db2.gz AACILRIXGPSEGI-UHFFFAOYSA-N -1 3 290.294 3.008 20 0 CGADHM Cc1csc(C(=O)Nc2cc(F)ccc2[O-])c1 ZINC001138016322 803826493 /nfs/dbraw/zinc/82/64/93/803826493.db2.gz LBFVSQXIOHWECM-UHFFFAOYSA-N -1 3 251.282 3.154 20 0 CGADHM c1coc(-c2ccc(-c3cccc(-c4nnn[n-]4)c3)cc2)n1 ZINC001245624785 803863170 /nfs/dbraw/zinc/86/31/70/803863170.db2.gz RKEHQAAMYCDEQO-UHFFFAOYSA-N -1 3 289.298 3.189 20 0 CGADHM c1coc(-c2ccc(-c3cccc(-c4nn[n-]n4)c3)cc2)n1 ZINC001245624785 803863180 /nfs/dbraw/zinc/86/31/80/803863180.db2.gz RKEHQAAMYCDEQO-UHFFFAOYSA-N -1 3 289.298 3.189 20 0 CGADHM CC(C)[C@@H]1CCC[C@@H](NC(=O)c2ccc(O)cc2[O-])CC1 ZINC001138508159 803954699 /nfs/dbraw/zinc/95/46/99/803954699.db2.gz PUFDLTREILCEPB-CHWSQXEVSA-N -1 3 291.391 3.433 20 0 CGADHM Nc1cc(Nc2ccc([O-])c(F)c2F)ccc1F ZINC001212339034 815007563 /nfs/dbraw/zinc/00/75/63/815007563.db2.gz CAIIOHOEFKTCBI-UHFFFAOYSA-N -1 3 254.211 3.135 20 0 CGADHM Cc1[nH]c(CN2CCCc3ccccc3C2)c(C)c1C(=O)[O-] ZINC001140496099 804447692 /nfs/dbraw/zinc/44/76/92/804447692.db2.gz RAJMIPZUMDWRLM-UHFFFAOYSA-N -1 3 298.386 3.278 20 0 CGADHM CN(CCc1ccc(F)cc1)Cc1ccc([O-])c(F)c1F ZINC001140892883 804543228 /nfs/dbraw/zinc/54/32/28/804543228.db2.gz CGJYWJCFRRJLOJ-UHFFFAOYSA-N -1 3 295.304 3.484 20 0 CGADHM C[C@@H]1CN(Cc2c(Cl)cc([O-])cc2Cl)C[C@@H]1F ZINC001142106076 804696455 /nfs/dbraw/zinc/69/64/55/804696455.db2.gz YFTKFXWCKMGBSD-KRTXAFLBSA-N -1 3 278.154 3.489 20 0 CGADHM CCN(c1ccccc1N)c1cc(F)cc(F)c1[O-] ZINC001212487198 815038642 /nfs/dbraw/zinc/03/86/42/815038642.db2.gz AXJXFESFYPNDBM-UHFFFAOYSA-N -1 3 264.275 3.411 20 0 CGADHM CCCC(C)(C)C(=O)Nc1cc(F)c([O-])cc1C(=O)OC ZINC001144122574 804939818 /nfs/dbraw/zinc/93/98/18/804939818.db2.gz FJTWRLVAHRZBSF-UHFFFAOYSA-N -1 3 297.326 3.083 20 0 CGADHM [O-]c1cc(F)c(CN(CC2CC2)C2CC2)c(F)c1 ZINC001144562104 805005824 /nfs/dbraw/zinc/00/58/24/805005824.db2.gz YPQQUKNAJISACU-UHFFFAOYSA-N -1 3 253.292 3.045 20 0 CGADHM C[C@@H]1CN(Cc2c(F)cc([O-])cc2F)C2(CC2)C1 ZINC001144560914 805006686 /nfs/dbraw/zinc/00/66/86/805006686.db2.gz BWGUGHZEJIPEOP-VIFPVBQESA-N -1 3 253.292 3.045 20 0 CGADHM COc1cccc(CN(C)Cc2sccc2C(=O)[O-])c1 ZINC001144671157 805032397 /nfs/dbraw/zinc/03/23/97/805032397.db2.gz ZMBTYXLBLPOUCY-UHFFFAOYSA-N -1 3 291.372 3.087 20 0 CGADHM Cc1ccc(C(=O)Nc2cnc3ccc(O)cc3c2)c([O-])c1 ZINC001148492771 805187922 /nfs/dbraw/zinc/18/79/22/805187922.db2.gz QZXJCIKPAFPHDG-UHFFFAOYSA-N -1 3 294.310 3.207 20 0 CGADHM CC(=O)c1cc(C(=O)Nc2cc(F)ccc2C)ccc1[O-] ZINC001148656490 805203950 /nfs/dbraw/zinc/20/39/50/805203950.db2.gz URCJIMWBRSFQFX-UHFFFAOYSA-N -1 3 287.290 3.295 20 0 CGADHM O=C(Nc1ccc(F)c([O-])c1)c1cc2ccccc2[nH]c1=O ZINC001151233652 805284428 /nfs/dbraw/zinc/28/44/28/805284428.db2.gz TWYIMGALSMTVTO-UHFFFAOYSA-N -1 3 298.273 3.037 20 0 CGADHM COc1ccc(NC(=O)c2ccc(C)cc2[O-])c(F)c1 ZINC001151648226 805304549 /nfs/dbraw/zinc/30/45/49/805304549.db2.gz NRADIFCUOVARNU-UHFFFAOYSA-N -1 3 275.279 3.101 20 0 CGADHM [O-]c1ccc(-c2nc(-c3cc(Cl)ccc3F)no2)nc1 ZINC001212557893 815067789 /nfs/dbraw/zinc/06/77/89/815067789.db2.gz GUOLCYJYEHZOBF-UHFFFAOYSA-N -1 3 291.669 3.297 20 0 CGADHM Cc1c(F)ccc(-c2noc(-c3ccc([O-])cn3)n2)c1F ZINC001212557850 815068513 /nfs/dbraw/zinc/06/85/13/815068513.db2.gz DKZMUUMQAIXWDX-UHFFFAOYSA-N -1 3 289.241 3.091 20 0 CGADHM O=C(Nc1ccc(Cl)cc1[O-])c1ccc(F)s1 ZINC001153460511 805398906 /nfs/dbraw/zinc/39/89/06/805398906.db2.gz GFJOQPATHHQXDS-UHFFFAOYSA-N -1 3 271.700 3.499 20 0 CGADHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC001250108694 805421944 /nfs/dbraw/zinc/42/19/44/805421944.db2.gz WOTKRDSNIMIHNE-GFCCVEGCSA-N -1 3 264.332 3.213 20 0 CGADHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC001250108694 805421948 /nfs/dbraw/zinc/42/19/48/805421948.db2.gz WOTKRDSNIMIHNE-GFCCVEGCSA-N -1 3 264.332 3.213 20 0 CGADHM O=C(Nc1ncccc1[O-])c1sccc1C(F)F ZINC001154067069 805431271 /nfs/dbraw/zinc/43/12/71/805431271.db2.gz CAMWAQAMVFVKMH-UHFFFAOYSA-N -1 3 270.260 3.039 20 0 CGADHM CC(C)c1cccc(NC(=O)c2ccc3[nH][n-]c(=O)c3c2)n1 ZINC001154204864 805439752 /nfs/dbraw/zinc/43/97/52/805439752.db2.gz UEPLATSRMMHHNV-UHFFFAOYSA-N -1 3 296.330 3.039 20 0 CGADHM [O-]c1cc(Nc2ccc(-n3ccnn3)cc2)ccc1Cl ZINC001212591235 815079394 /nfs/dbraw/zinc/07/93/94/815079394.db2.gz BSOWJIZJDVXWBE-UHFFFAOYSA-N -1 3 286.722 3.370 20 0 CGADHM O=c1[nH]cnc2ccc(Nc3ccc(Cl)c([O-])c3)cc12 ZINC001212592337 815079560 /nfs/dbraw/zinc/07/95/60/815079560.db2.gz KTEFYCSVHNBAII-UHFFFAOYSA-N -1 3 287.706 3.438 20 0 CGADHM COc1cccc([O-])c1C(=O)N1CCC(C)(C(C)C)CC1 ZINC001154825331 805493074 /nfs/dbraw/zinc/49/30/74/805493074.db2.gz JGFIKEJCAAISNR-UHFFFAOYSA-N -1 3 291.391 3.299 20 0 CGADHM C[C@@H](O)c1ccnc(Nc2ccc(Cl)c([O-])c2)c1 ZINC001212591607 815080221 /nfs/dbraw/zinc/08/02/21/815080221.db2.gz VPJWQPYJZAABLF-MRVPVSSYSA-N -1 3 264.712 3.238 20 0 CGADHM [O-]c1cc(Nc2cc3ccccn3n2)ccc1Cl ZINC001212591713 815080228 /nfs/dbraw/zinc/08/02/28/815080228.db2.gz ZYIQHXWNDRBPQL-UHFFFAOYSA-N -1 3 259.696 3.437 20 0 CGADHM Cc1cc([O-])c(-c2nnc(C3CCCC3)o2)c(O)c1 ZINC001257583539 807201233 /nfs/dbraw/zinc/20/12/33/807201233.db2.gz OLCUZRPFWSZZGF-UHFFFAOYSA-N -1 3 260.293 3.114 20 0 CGADHM Cc1cc([O-])c(-c2nnc(CC(C)(C)C)o2)c(O)c1 ZINC001257898504 807246778 /nfs/dbraw/zinc/24/67/78/807246778.db2.gz OOSXPRJKTWECHJ-UHFFFAOYSA-N -1 3 262.309 3.045 20 0 CGADHM CCOC(=O)c1oc2ncccc2c1[N-]c1conc1C ZINC001212718435 815113121 /nfs/dbraw/zinc/11/31/21/815113121.db2.gz HMNKVRZGOFDWTI-UHFFFAOYSA-N -1 3 287.275 3.045 20 0 CGADHM CC[C@H](C)C[C@@H](C)Nc1ccccc1-c1nnn[n-]1 ZINC001168692968 807483211 /nfs/dbraw/zinc/48/32/11/807483211.db2.gz ZVHKOECPIDBVPX-WDEREUQCSA-N -1 3 259.357 3.103 20 0 CGADHM CC[C@H](C)C[C@@H](C)Nc1ccccc1-c1nn[n-]n1 ZINC001168692968 807483216 /nfs/dbraw/zinc/48/32/16/807483216.db2.gz ZVHKOECPIDBVPX-WDEREUQCSA-N -1 3 259.357 3.103 20 0 CGADHM Cc1cc(CO)cc(Nc2cc([O-])c(F)cc2F)c1 ZINC001212756678 815128188 /nfs/dbraw/zinc/12/81/88/815128188.db2.gz ZTNCXXDCZLINPI-UHFFFAOYSA-N -1 3 265.259 3.215 20 0 CGADHM CC(C)CS(=O)(=O)[N-]c1cc2c(s1)CCCC2 ZINC001259879822 807690846 /nfs/dbraw/zinc/69/08/46/807690846.db2.gz RFNREDMAABWZEQ-UHFFFAOYSA-N -1 3 273.423 3.025 20 0 CGADHM Cc1ccc(Br)cc1NCc1ncccc1[O-] ZINC001169731973 807700023 /nfs/dbraw/zinc/70/00/23/807700023.db2.gz VAVRYXLQIPWOSE-UHFFFAOYSA-N -1 3 293.164 3.470 20 0 CGADHM CC[C@H](C)S(=O)(=O)[N-]c1c(F)cccc1C(F)(F)F ZINC001260724183 807700028 /nfs/dbraw/zinc/70/00/28/807700028.db2.gz UTMOCKPBFZTHTM-ZETCQYMHSA-N -1 3 299.289 3.385 20 0 CGADHM [O-]c1cccnc1CNc1nccc2cc(F)ccc21 ZINC001169731406 807700475 /nfs/dbraw/zinc/70/04/75/807700475.db2.gz DBFIRZIQCWWPFE-UHFFFAOYSA-N -1 3 269.279 3.087 20 0 CGADHM [O-]c1cccnc1CNc1ccc(F)c2cnccc12 ZINC001169733497 807701765 /nfs/dbraw/zinc/70/17/65/807701765.db2.gz WQWRSZXZQJPXOM-UHFFFAOYSA-N -1 3 269.279 3.087 20 0 CGADHM CCCOc1ccccc1[N-]S(=O)(=O)[C@H](C)CC ZINC001260743258 807704632 /nfs/dbraw/zinc/70/46/32/807704632.db2.gz LRRDZJCYIRWWJL-LLVKDONJSA-N -1 3 271.382 3.016 20 0 CGADHM CN(CC1=CCSC1)[C@H](C(=O)[O-])c1ccccc1Cl ZINC001261636397 807770071 /nfs/dbraw/zinc/77/00/71/807770071.db2.gz ISCKBVRCIABEOX-ZDUSSCGKSA-N -1 3 297.807 3.071 20 0 CGADHM COC(C)(C)COC(=O)c1cccc2[n-]c(C(F)F)nc21 ZINC001263505285 807962212 /nfs/dbraw/zinc/96/22/12/807962212.db2.gz SQOSNHSBMGFDFQ-UHFFFAOYSA-N -1 3 298.289 3.082 20 0 CGADHM CC(C)c1ccc(C(=O)NCC(=O)C2CCCC2)c([O-])c1 ZINC001171340578 808031385 /nfs/dbraw/zinc/03/13/85/808031385.db2.gz KQZKBAUXTZKBGT-UHFFFAOYSA-N -1 3 289.375 3.005 20 0 CGADHM [O-]c1c(F)cc(Br)cc1Nc1cccnc1 ZINC001173856532 808716776 /nfs/dbraw/zinc/71/67/76/808716776.db2.gz AETFEAOAKUKALD-UHFFFAOYSA-N -1 3 283.100 3.432 20 0 CGADHM COc1cccc(OC)c1Nc1ncc(Cl)cc1[O-] ZINC001173921112 808761371 /nfs/dbraw/zinc/76/13/71/808761371.db2.gz FIKVPXFPWVQEGY-UHFFFAOYSA-N -1 3 280.711 3.201 20 0 CGADHM CC(C)Oc1ccc(Nc2ncc(F)cc2[O-])cc1 ZINC001174107311 808870316 /nfs/dbraw/zinc/87/03/16/808870316.db2.gz CYCVVVZTGALGQH-UHFFFAOYSA-N -1 3 262.284 3.457 20 0 CGADHM CCCn1cc(Nc2cccc([O-])c2Cl)cn1 ZINC001174220282 808908524 /nfs/dbraw/zinc/90/85/24/808908524.db2.gz PQIIVVQUCFGBLR-UHFFFAOYSA-N -1 3 251.717 3.396 20 0 CGADHM Cc1ccc(Nc2nc3c(cccc3[O-])s2)cn1 ZINC001174280636 808930169 /nfs/dbraw/zinc/93/01/69/808930169.db2.gz MOMRFAMUKMLSIR-UHFFFAOYSA-N -1 3 257.318 3.449 20 0 CGADHM O=c1ccn(-c2ccc(Nc3ccc4c(c3)NCC4)cc2)[n-]1 ZINC001213160643 815247695 /nfs/dbraw/zinc/24/76/95/815247695.db2.gz CGKHVHVECKYABV-UHFFFAOYSA-N -1 3 292.342 3.290 20 0 CGADHM Cc1ccc([O-])c(N=C2CCCN(Cc3ccccc3)C2)n1 ZINC001174393158 808993044 /nfs/dbraw/zinc/99/30/44/808993044.db2.gz SGAMZQGUJLHAKB-UHFFFAOYSA-N -1 3 295.386 3.297 20 0 CGADHM [O-]c1cc(F)c(Nc2ccc3cn[nH]c3c2)cc1F ZINC001174501084 809049543 /nfs/dbraw/zinc/04/95/43/809049543.db2.gz GFVBRYIBSAJTOQ-UHFFFAOYSA-N -1 3 261.231 3.290 20 0 CGADHM [O-]c1cc(F)c(Nc2ccc3c[nH]nc3c2)cc1F ZINC001174501084 809049544 /nfs/dbraw/zinc/04/95/44/809049544.db2.gz GFVBRYIBSAJTOQ-UHFFFAOYSA-N -1 3 261.231 3.290 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2ccnn2CC2CCC2)c1 ZINC001174878848 809186843 /nfs/dbraw/zinc/18/68/43/809186843.db2.gz ZSXWKNFFGUXPRA-UHFFFAOYSA-N -1 3 299.374 3.204 20 0 CGADHM CN(C)c1ccc(Nc2cc([O-])c(F)cc2F)cc1 ZINC001174881082 809188546 /nfs/dbraw/zinc/18/85/46/809188546.db2.gz SJUHYLBGUVMTNC-UHFFFAOYSA-N -1 3 264.275 3.480 20 0 CGADHM Cc1ccc(Nc2cc(=O)n(-c3ccccc3)[n-]2)cc1N ZINC001174932786 809205120 /nfs/dbraw/zinc/20/51/20/809205120.db2.gz IYUVELZWIBHFFO-UHFFFAOYSA-N -1 3 280.331 3.212 20 0 CGADHM O=c1cc(Nc2ccc(F)c(F)c2F)nc(C2CC2)[n-]1 ZINC001174969187 809221645 /nfs/dbraw/zinc/22/16/45/809221645.db2.gz JFORMFLBWQXPJY-UHFFFAOYSA-N -1 3 281.237 3.221 20 0 CGADHM CCc1cccnc1Nc1cc(F)c([O-])c(F)c1 ZINC001213373647 815271820 /nfs/dbraw/zinc/27/18/20/815271820.db2.gz QAINCXFCCPNRAO-UHFFFAOYSA-N -1 3 250.248 3.371 20 0 CGADHM Cc1ccc(N)c(N(C)c2cc(F)c([O-])c(F)c2)c1 ZINC001213384259 815274675 /nfs/dbraw/zinc/27/46/75/815274675.db2.gz BBKWCOYFPOOKHJ-UHFFFAOYSA-N -1 3 264.275 3.329 20 0 CGADHM O=c1[nH]ccc2cc(Nc3c(F)cc([O-])cc3F)ccc21 ZINC001175096855 809268511 /nfs/dbraw/zinc/26/85/11/809268511.db2.gz KMGMOWRLAISHCM-UHFFFAOYSA-N -1 3 288.253 3.256 20 0 CGADHM O=c1cc(Cl)[nH]cc1Nc1c(F)cc([O-])cc1F ZINC001175095538 809268669 /nfs/dbraw/zinc/26/86/69/809268669.db2.gz IKDRKXQYLYIFRN-UHFFFAOYSA-N -1 3 272.638 3.168 20 0 CGADHM [O-]c1cc(F)c(Nc2cccc3c2CCO3)c(F)c1 ZINC001175096563 809268913 /nfs/dbraw/zinc/26/89/13/809268913.db2.gz DGNAIBSMUWKZBR-UHFFFAOYSA-N -1 3 263.243 3.349 20 0 CGADHM Cn1ncc2cccc(Nc3c(F)cc([O-])cc3F)c21 ZINC001175100604 809272212 /nfs/dbraw/zinc/27/22/12/809272212.db2.gz XRWJXUGPYVKSAC-UHFFFAOYSA-N -1 3 275.258 3.301 20 0 CGADHM Cc1nc(Nc2ccc(OC(C)C)c(C)c2)cc(=O)[n-]1 ZINC001175191446 809302031 /nfs/dbraw/zinc/30/20/31/809302031.db2.gz CURQTYOAXUKATL-UHFFFAOYSA-N -1 3 273.336 3.330 20 0 CGADHM CCOc1cccc([N-]c2nc(C)ns2)c1F ZINC001175233982 809317981 /nfs/dbraw/zinc/31/79/81/809317981.db2.gz FNBXFDKJRNMKDN-UHFFFAOYSA-N -1 3 253.302 3.128 20 0 CGADHM [O-]c1ccc(F)c(Nc2nccnc2C(F)(F)F)c1F ZINC001175265613 809331316 /nfs/dbraw/zinc/33/13/16/809331316.db2.gz ISKPQADOKJGDCC-UHFFFAOYSA-N -1 3 291.179 3.223 20 0 CGADHM [O-]c1ccc(F)c(Nc2ccnn2CC2CCC2)c1F ZINC001175266688 809331504 /nfs/dbraw/zinc/33/15/04/809331504.db2.gz WXCFWOQNRVOXKG-UHFFFAOYSA-N -1 3 279.290 3.411 20 0 CGADHM O=c1[nH]ccc(Nc2c(F)ccc([O-])c2F)c1Cl ZINC001175265228 809331599 /nfs/dbraw/zinc/33/15/99/809331599.db2.gz DXGGWMYKGFTGJK-UHFFFAOYSA-N -1 3 272.638 3.168 20 0 CGADHM CC1(C)COc2c(Nc3c(F)ccc([O-])c3F)cnn2C1 ZINC001175265615 809331862 /nfs/dbraw/zinc/33/18/62/809331862.db2.gz IVMFRFUOJGVUJA-UHFFFAOYSA-N -1 3 295.289 3.029 20 0 CGADHM Cn1cc2ccc(Nc3c(F)ccc([O-])c3F)cc2n1 ZINC001175268422 809332551 /nfs/dbraw/zinc/33/25/51/809332551.db2.gz NAJVNBDVUUGKND-UHFFFAOYSA-N -1 3 275.258 3.301 20 0 CGADHM Nc1ccc2c(c1)N(c1c(F)ccc([O-])c1F)CCC2 ZINC001175269759 809334839 /nfs/dbraw/zinc/33/48/39/809334839.db2.gz KCNGOPGVWLWXNT-UHFFFAOYSA-N -1 3 276.286 3.337 20 0 CGADHM C[S@](=O)c1ccccc1Nc1cc(F)c([O-])c(F)c1 ZINC001175309399 809348701 /nfs/dbraw/zinc/34/87/01/809348701.db2.gz MPSJIXZSWLOUHN-IBGZPJMESA-N -1 3 283.299 3.151 20 0 CGADHM Cc1c(F)cc(Nc2ccc(-c3nn[n-]n3)cc2)cc1F ZINC001175430213 809401405 /nfs/dbraw/zinc/40/14/05/809401405.db2.gz KVJJFZPCDLSZKK-UHFFFAOYSA-N -1 3 287.273 3.197 20 0 CGADHM CC(C)c1cncc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001175428138 809401661 /nfs/dbraw/zinc/40/16/61/809401661.db2.gz DQBBNOCCHAVOLQ-UHFFFAOYSA-N -1 3 280.335 3.129 20 0 CGADHM Fc1cc(Nc2ccc(-c3nn[n-]n3)cc2)ccc1Cl ZINC001175428458 809401879 /nfs/dbraw/zinc/40/18/79/809401879.db2.gz KQPPJBPCLNHSIA-UHFFFAOYSA-N -1 3 289.701 3.403 20 0 CGADHM Cc1c2c[nH]nc2ccc1Nc1ncc(Cl)cc1[O-] ZINC001175467941 809418212 /nfs/dbraw/zinc/41/82/12/809418212.db2.gz KCOXYJALNIARFJ-UHFFFAOYSA-N -1 3 274.711 3.369 20 0 CGADHM O=C([N-]c1cnoc1)c1ncsc1Nc1ccccc1 ZINC001292677049 809435789 /nfs/dbraw/zinc/43/57/89/809435789.db2.gz JZXPVLIRTHONPU-UHFFFAOYSA-N -1 3 286.316 3.127 20 0 CGADHM COc1cccc([O-])c1C(=O)N[C@@H]1C[C@@H]1C1CCCCC1 ZINC001294138174 809461904 /nfs/dbraw/zinc/46/19/04/809461904.db2.gz GPOONDQJUCSIPL-CHWSQXEVSA-N -1 3 289.375 3.099 20 0 CGADHM CCCCO[C@H]1C[C@H](NC(=O)c2ccccc2[O-])C1(C)C ZINC001294441547 809469740 /nfs/dbraw/zinc/46/97/40/809469740.db2.gz TXLPFUPUXLYKPE-GJZGRUSLSA-N -1 3 291.391 3.106 20 0 CGADHM CCCOc1cccc(Nc2cc(=O)[n-]c(C)n2)c1 ZINC001175598638 809469824 /nfs/dbraw/zinc/46/98/24/809469824.db2.gz ORZQHAQSTLROGS-UHFFFAOYSA-N -1 3 259.309 3.023 20 0 CGADHM COc1cc(C)cc(C(=O)Nc2cccc([O-])c2F)c1C ZINC001295128247 809482597 /nfs/dbraw/zinc/48/25/97/809482597.db2.gz MBVOVKCGLHYQFK-UHFFFAOYSA-N -1 3 289.306 3.409 20 0 CGADHM CSc1ncc(Nc2cccc([O-])c2Cl)cn1 ZINC001175649651 809488229 /nfs/dbraw/zinc/48/82/29/809488229.db2.gz HTVHCICMISTDPY-UHFFFAOYSA-N -1 3 267.741 3.301 20 0 CGADHM [O-]c1c(F)cc(Nc2cnn(C3CCC3)c2)cc1F ZINC001175757196 809533285 /nfs/dbraw/zinc/53/32/85/809533285.db2.gz MEJXQEMNKVFHDR-UHFFFAOYSA-N -1 3 265.263 3.336 20 0 CGADHM C[C@@H]1CCCC[C@@H]1CC(=O)[N-]Oc1ccccc1F ZINC001303333268 809608549 /nfs/dbraw/zinc/60/85/49/809608549.db2.gz YVJQCZZGXYONAB-VXGBXAGGSA-N -1 3 265.328 3.452 20 0 CGADHM [O-]c1cc(Nc2cccc3c2OCC3)c(F)cc1F ZINC001176076069 809615290 /nfs/dbraw/zinc/61/52/90/809615290.db2.gz LQSNTVCZWUVJFO-UHFFFAOYSA-N -1 3 263.243 3.349 20 0 CGADHM Cc1ccc2ccc(F)c(Nc3cc(=O)[n-]c(C)n3)c2n1 ZINC001176113834 809625714 /nfs/dbraw/zinc/62/57/14/809625714.db2.gz OEQMXTCHDLAPAF-UHFFFAOYSA-N -1 3 284.294 3.230 20 0 CGADHM COc1cc(Cl)cc(Nc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC001176343838 809673878 /nfs/dbraw/zinc/67/38/78/809673878.db2.gz MOOPKSUDLTUSPD-UHFFFAOYSA-N -1 3 291.738 3.465 20 0 CGADHM O=C1Cc2cc(Nc3nc4c(cccc4[O-])s3)ccc2N1 ZINC001176425649 809693641 /nfs/dbraw/zinc/69/36/41/809693641.db2.gz ZGYRMZIGMSDFAQ-UHFFFAOYSA-N -1 3 297.339 3.240 20 0 CGADHM Cn1cc(Nc2ncc(F)cc2[O-])c(-c2ccccc2)n1 ZINC001176567737 809718843 /nfs/dbraw/zinc/71/88/43/809718843.db2.gz JIWKAUQLBXJORX-UHFFFAOYSA-N -1 3 284.294 3.070 20 0 CGADHM O=C([O-])c1ccc(Nc2ccnc(C3CC3)c2)cc1 ZINC001176711319 809746732 /nfs/dbraw/zinc/74/67/32/809746732.db2.gz XAQTUBLRGRZOSR-UHFFFAOYSA-N -1 3 254.289 3.401 20 0 CGADHM Cc1cc(F)c(CNCc2ccc([O-])c(F)c2)c(F)c1 ZINC001177913368 809831141 /nfs/dbraw/zinc/83/11/41/809831141.db2.gz XQSMEYAITXOCKP-UHFFFAOYSA-N -1 3 281.277 3.408 20 0 CGADHM Cc1ccc([O-])c(-c2nc(-c3cccc(C)c3F)no2)n1 ZINC001213697883 815323134 /nfs/dbraw/zinc/32/31/34/815323134.db2.gz IQDUGCGMHDMAHE-UHFFFAOYSA-N -1 3 285.278 3.260 20 0 CGADHM COc1cccc(C2CC2)c1Nc1ccc(C(N)=O)c([O-])c1 ZINC001213822779 815337104 /nfs/dbraw/zinc/33/71/04/815337104.db2.gz PZXRYFUEXFTVIJ-UHFFFAOYSA-N -1 3 298.342 3.121 20 0 CGADHM O=C(Nc1ccc(F)c([O-])c1)[C@]12CC[C@H](O1)c1ccccc12 ZINC001182483099 810111821 /nfs/dbraw/zinc/11/18/21/810111821.db2.gz HBOYGXSJEKDUKJ-DOTOQJQBSA-N -1 3 299.301 3.230 20 0 CGADHM O=C(Nc1ccc([O-])c(F)c1)Nc1ccc(F)c(F)c1 ZINC001185089290 810233908 /nfs/dbraw/zinc/23/39/08/810233908.db2.gz GUGNYZMZQJCRHL-UHFFFAOYSA-N -1 3 282.221 3.454 20 0 CGADHM O=C(Nc1ccc(F)c([O-])c1)Nc1ccc(F)c(F)c1 ZINC001185090086 810233954 /nfs/dbraw/zinc/23/39/54/810233954.db2.gz SLZAUDXZJGAZTP-UHFFFAOYSA-N -1 3 282.221 3.454 20 0 CGADHM Cc1c(F)ccc([N-]S(=O)(=O)c2ccsc2)c1F ZINC001185391831 810260677 /nfs/dbraw/zinc/26/06/77/810260677.db2.gz SOIODOBTHTZUNU-UHFFFAOYSA-N -1 3 289.328 3.136 20 0 CGADHM O=C(Nc1c([O-])cccc1Br)NC1CCCC1 ZINC001185895195 810301092 /nfs/dbraw/zinc/30/10/92/810301092.db2.gz PVZJJYZRVKGOKJ-UHFFFAOYSA-N -1 3 299.168 3.219 20 0 CGADHM Cc1ccc(CCCNC(=O)c2c(C)cccc2[O-])s1 ZINC001188654756 810500107 /nfs/dbraw/zinc/50/01/07/810500107.db2.gz GRCOLALBQFZGPA-UHFFFAOYSA-N -1 3 289.400 3.433 20 0 CGADHM COc1cccc(C)c1C(=O)Nc1c([O-])cccc1C(C)=O ZINC001188803795 810515730 /nfs/dbraw/zinc/51/57/30/810515730.db2.gz BJDMUYHHIZMMBD-UHFFFAOYSA-N -1 3 299.326 3.164 20 0 CGADHM Cc1ccccc1Oc1ccccc1NC(=O)c1cnn[n-]1 ZINC001189348577 810561549 /nfs/dbraw/zinc/56/15/49/810561549.db2.gz NUTINMFAJGHDFY-UHFFFAOYSA-N -1 3 294.314 3.158 20 0 CGADHM Cc1ccccc1Oc1ccccc1NC(=O)c1c[n-]nn1 ZINC001189348577 810561556 /nfs/dbraw/zinc/56/15/56/810561556.db2.gz NUTINMFAJGHDFY-UHFFFAOYSA-N -1 3 294.314 3.158 20 0 CGADHM Cc1ccccc1Oc1ccccc1NC(=O)c1cn[n-]n1 ZINC001189348577 810561560 /nfs/dbraw/zinc/56/15/60/810561560.db2.gz NUTINMFAJGHDFY-UHFFFAOYSA-N -1 3 294.314 3.158 20 0 CGADHM CC(C)(C)c1ccccc1NC(=O)Nc1cnc[n-]c1=O ZINC001189564128 810577567 /nfs/dbraw/zinc/57/75/67/810577567.db2.gz ZZDIWKLTCIVHJO-UHFFFAOYSA-N -1 3 286.335 3.124 20 0 CGADHM CCc1cccc(C)c1NC(=O)Nc1cc(=O)[n-]c(C)n1 ZINC001189946396 810596138 /nfs/dbraw/zinc/59/61/38/810596138.db2.gz SJRVKPPVDHZSDE-UHFFFAOYSA-N -1 3 286.335 3.005 20 0 CGADHM CCOc1ccc(C(=O)Nc2cc([O-])cc(Cl)c2)nc1 ZINC001190790283 810648351 /nfs/dbraw/zinc/64/83/51/810648351.db2.gz POFQPNBYELTLQS-UHFFFAOYSA-N -1 3 292.722 3.092 20 0 CGADHM O=C([N-]c1cc(-c2cccs2)no1)Nc1ccccn1 ZINC001191302793 810699357 /nfs/dbraw/zinc/69/93/57/810699357.db2.gz VPRQDHQGWOVHHX-UHFFFAOYSA-N -1 3 286.316 3.442 20 0 CGADHM O=C(Nc1ccccn1)Nc1ccc(C(F)(F)F)cc1[O-] ZINC001191335141 810703438 /nfs/dbraw/zinc/70/34/38/810703438.db2.gz IAALGUIQWHNQIB-UHFFFAOYSA-N -1 3 297.236 3.450 20 0 CGADHM O=S(=O)(CC1CCCC1)[N-]c1csc2ncccc12 ZINC001191488367 810719191 /nfs/dbraw/zinc/71/91/91/810719191.db2.gz BIBVRTWWCBPDHU-UHFFFAOYSA-N -1 3 296.417 3.228 20 0 CGADHM Cc1cc(NC(=O)Nc2cncc([O-])c2)ccc1Cl ZINC001191739367 810734499 /nfs/dbraw/zinc/73/44/99/810734499.db2.gz AOVGFIQWSJYPAC-UHFFFAOYSA-N -1 3 277.711 3.393 20 0 CGADHM O=C(Nc1cncc([O-])c1)c1c[nH]cc1-c1ccccc1 ZINC001191774594 810739086 /nfs/dbraw/zinc/73/90/86/810739086.db2.gz OEAGKMLDATXACO-UHFFFAOYSA-N -1 3 279.299 3.035 20 0 CGADHM CC[C@@H](C)CC[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC001192294995 810784186 /nfs/dbraw/zinc/78/41/86/810784186.db2.gz SSVONLWSPHGLOQ-SECBINFHSA-N -1 3 293.791 3.194 20 0 CGADHM Cc1ccc(O)cc1Nc1ncc(Cl)cc1[O-] ZINC001214341448 815397561 /nfs/dbraw/zinc/39/75/61/815397561.db2.gz XSGXEJQZNGFRDP-UHFFFAOYSA-N -1 3 250.685 3.198 20 0 CGADHM C[C@H]1CN(C(=O)c2ccc([O-])cc2C(F)(F)F)C2(CC2)C1 ZINC001193745189 810946471 /nfs/dbraw/zinc/94/64/71/810946471.db2.gz FRFBVNGNOLFIGD-SECBINFHSA-N -1 3 299.292 3.426 20 0 CGADHM NC(=O)c1ccc(F)cc1Nc1c(Cl)ccc([O-])c1F ZINC001214561233 815424572 /nfs/dbraw/zinc/42/45/72/815424572.db2.gz AWQMKNJHOLYSPK-UHFFFAOYSA-N -1 3 298.676 3.166 20 0 CGADHM COc1cncc(Nc2c(Cl)ccc([O-])c2F)c1 ZINC001214556082 815423050 /nfs/dbraw/zinc/42/30/50/815423050.db2.gz JNNZSQOSUFUIAD-UHFFFAOYSA-N -1 3 268.675 3.332 20 0 CGADHM Nc1cc2c(cc1Nc1c(Cl)ccc([O-])c1F)OCO2 ZINC001214561711 815424345 /nfs/dbraw/zinc/42/43/45/815424345.db2.gz ZVJIIQPURFHFNN-UHFFFAOYSA-N -1 3 296.685 3.239 20 0 CGADHM CC(=O)c1cccc(NC(=O)OCCC(C)C)c1[O-] ZINC001194874643 811160302 /nfs/dbraw/zinc/16/03/02/811160302.db2.gz HWTXNEHMKYKWFW-UHFFFAOYSA-N -1 3 265.309 3.189 20 0 CGADHM Cc1ccc([O-])c(C(=O)NC(C)(C)CC(C)(C)C)n1 ZINC001195332467 811242259 /nfs/dbraw/zinc/24/22/59/811242259.db2.gz VCCHDUPVMWXXLQ-UHFFFAOYSA-N -1 3 264.369 3.040 20 0 CGADHM O=C(Nc1ccc(F)c([O-])c1)c1ccc(C2CC2)cn1 ZINC001195615830 811270300 /nfs/dbraw/zinc/27/03/00/811270300.db2.gz LKAUDXWIUDSFMS-UHFFFAOYSA-N -1 3 272.279 3.056 20 0 CGADHM [O-]c1cccc(F)c1NC(=S)Nc1ccccc1F ZINC001195772865 811289886 /nfs/dbraw/zinc/28/98/86/811289886.db2.gz BAWZITKKZVXEEW-UHFFFAOYSA-N -1 3 280.299 3.479 20 0 CGADHM COc1ccccc1NC(=S)Nc1ccc(F)c([O-])c1 ZINC001196252268 811327570 /nfs/dbraw/zinc/32/75/70/811327570.db2.gz VIFDHDFXIZSRFS-UHFFFAOYSA-N -1 3 292.335 3.349 20 0 CGADHM Cc1cccc(NC(=S)Nc2cncc([O-])c2)c1C ZINC001196390284 811338732 /nfs/dbraw/zinc/33/87/32/811338732.db2.gz FMYOQQIGSXXTBN-UHFFFAOYSA-N -1 3 273.361 3.213 20 0 CGADHM [O-]c1cccc(Cl)c1NC(=S)NC1CCCC1 ZINC001198551371 811515342 /nfs/dbraw/zinc/51/53/42/811515342.db2.gz AREHXEPWSCSUQO-UHFFFAOYSA-N -1 3 270.785 3.275 20 0 CGADHM O=C(Nc1cc([O-])cc(Cl)c1)c1ccc2c(c1)COC2 ZINC001198859945 811549070 /nfs/dbraw/zinc/54/90/70/811549070.db2.gz XQOQRDSGIOGVLL-UHFFFAOYSA-N -1 3 289.718 3.328 20 0 CGADHM [O-]c1ccc(NC(=S)Nc2cccnc2)cc1Cl ZINC001199900953 811606702 /nfs/dbraw/zinc/60/67/02/811606702.db2.gz BXNSLMDCJLURMN-UHFFFAOYSA-N -1 3 279.752 3.250 20 0 CGADHM Cc1cnc([C@@H](NCc2nc(C)ccc2[O-])C2CC2)s1 ZINC001200802835 811746661 /nfs/dbraw/zinc/74/66/61/811746661.db2.gz KKMYEQGFFLTZJG-AWEZNQCLSA-N -1 3 289.404 3.101 20 0 CGADHM Cc1cc(C)cc(NC(=S)Nc2cncc([O-])c2)c1 ZINC001201196399 811794911 /nfs/dbraw/zinc/79/49/11/811794911.db2.gz JQJWDMDCBXOSOY-UHFFFAOYSA-N -1 3 273.361 3.213 20 0 CGADHM CC(=O)c1cccc([O-])c1NC(=O)Nc1ccccc1 ZINC001201956149 811984197 /nfs/dbraw/zinc/98/41/97/811984197.db2.gz GLJIASBRWRMJIS-UHFFFAOYSA-N -1 3 270.288 3.239 20 0 CGADHM Cc1ccc(NC(=O)Nc2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC001202422210 812088745 /nfs/dbraw/zinc/08/87/45/812088745.db2.gz HHYSRLWKYUILTL-UHFFFAOYSA-N -1 3 284.319 3.012 20 0 CGADHM CC(=O)c1cc(-c2nc(-c3ccccc3F)no2)ccc1[O-] ZINC001215364719 815509664 /nfs/dbraw/zinc/50/96/64/815509664.db2.gz APXGURYCCHGTOJ-UHFFFAOYSA-N -1 3 298.273 3.451 20 0 CGADHM CN1CCOc2cc(Nc3cccc([O-])c3Cl)cnc21 ZINC001203491140 812375370 /nfs/dbraw/zinc/37/53/70/812375370.db2.gz QRWMXXXEJVJTBS-UHFFFAOYSA-N -1 3 291.738 3.013 20 0 CGADHM Cc1cc(O)cc(Nc2cc(=O)n(-c3ccccc3)[n-]2)c1 ZINC001215509732 815526525 /nfs/dbraw/zinc/52/65/25/815526525.db2.gz UTZXDGUUNZLUTG-UHFFFAOYSA-N -1 3 281.315 3.336 20 0 CGADHM [O-]c1cc(Cl)cnc1Nc1cc(F)c(O)cc1F ZINC001215570905 815537530 /nfs/dbraw/zinc/53/75/30/815537530.db2.gz QPWPIKHASLPBSG-UHFFFAOYSA-N -1 3 272.638 3.168 20 0 CGADHM O=C([O-])c1c(F)ccc(-c2c[nH]cc3ccnc2-3)c1F ZINC001205095762 812861874 /nfs/dbraw/zinc/86/18/74/812861874.db2.gz OESORZVYQMISQY-UHFFFAOYSA-N -1 3 274.226 3.206 20 0 CGADHM [O-]c1cc(Cl)cnc1Nc1cccc(F)c1O ZINC001210194434 814330261 /nfs/dbraw/zinc/33/02/61/814330261.db2.gz BZCQJUWQKRWNIK-UHFFFAOYSA-N -1 3 254.648 3.029 20 0 CGADHM CC(=O)Nc1ccc(Nc2cccc(Cl)c2[O-])cn1 ZINC001210215512 814345441 /nfs/dbraw/zinc/34/54/41/814345441.db2.gz IDUSSMCXFZTPHC-UHFFFAOYSA-N -1 3 277.711 3.143 20 0 CGADHM CCn1cc(Nc2cccc(Cl)c2[O-])c(C)n1 ZINC001210215643 814345566 /nfs/dbraw/zinc/34/55/66/814345566.db2.gz KXSRMVUWCLRBGI-UHFFFAOYSA-N -1 3 251.717 3.314 20 0 CGADHM CCOC(=O)c1scnc1Nc1cccc(Cl)c1[O-] ZINC001210217090 814345896 /nfs/dbraw/zinc/34/58/96/814345896.db2.gz RQJZIZJYZVSZQE-UHFFFAOYSA-N -1 3 298.751 3.422 20 0 CGADHM Nc1ccnc(Cl)c1Nc1cccc(Cl)c1[O-] ZINC001210216275 814347745 /nfs/dbraw/zinc/34/77/45/814347745.db2.gz SJBYQSJYTXXENS-UHFFFAOYSA-N -1 3 270.119 3.420 20 0 CGADHM Cc1ccc(C(N)=O)c(Nc2cccc(Cl)c2[O-])c1 ZINC001210222228 814348318 /nfs/dbraw/zinc/34/83/18/814348318.db2.gz VVWJTDNAHFCQCF-UHFFFAOYSA-N -1 3 276.723 3.197 20 0 CGADHM [O-]c1c(Cl)cccc1Nc1ccnn1-c1ccncc1 ZINC001210220902 814349359 /nfs/dbraw/zinc/34/93/59/814349359.db2.gz SYMSBLQTWXUCNP-UHFFFAOYSA-N -1 3 286.722 3.370 20 0 CGADHM [O-]c1ccc(Nc2ccc(-n3ccnn3)cc2)cc1Cl ZINC001210296822 814390351 /nfs/dbraw/zinc/39/03/51/814390351.db2.gz OIUIFLRRYCPDIL-UHFFFAOYSA-N -1 3 286.722 3.370 20 0 CGADHM [O-]c1cc(F)c(Nc2ccc(OC(F)F)nc2)cc1F ZINC001210305987 814394293 /nfs/dbraw/zinc/39/42/93/814394293.db2.gz PDFAXQXBIABHPC-UHFFFAOYSA-N -1 3 288.200 3.410 20 0 CGADHM C[C@H](O)c1cccc([N-]c2nnc(-c3ccco3)o2)c1 ZINC001210502785 814493406 /nfs/dbraw/zinc/49/34/06/814493406.db2.gz DRWAKQZPFBAXNE-VIFPVBQESA-N -1 3 271.276 3.127 20 0 CGADHM COc1nc(Cl)cnc1Nc1cccc([O-])c1Cl ZINC001210851595 814650588 /nfs/dbraw/zinc/65/05/88/814650588.db2.gz FIFLRCVYTCWIKR-UHFFFAOYSA-N -1 3 286.118 3.241 20 0 CGADHM O=c1[nH]cnc2ccc(Nc3cccc([O-])c3Cl)cc12 ZINC001210854342 814652409 /nfs/dbraw/zinc/65/24/09/814652409.db2.gz QBTQTMUKFPSHJG-UHFFFAOYSA-N -1 3 287.706 3.438 20 0 CGADHM Cc1c[nH]c(=O)cc1Nc1cccc([O-])c1Cl ZINC001210854026 814652492 /nfs/dbraw/zinc/65/24/92/814652492.db2.gz VOSYKJXQHNPXTR-UHFFFAOYSA-N -1 3 250.685 3.198 20 0 CGADHM Cc1ccc2nc(N)n(-c3cccc([S-])c3)c2c1 ZINC001210945820 814685150 /nfs/dbraw/zinc/68/51/50/814685150.db2.gz WGMIKFXRHKFKDX-UHFFFAOYSA-N -1 3 255.346 3.205 20 0 CGADHM Fc1ccc(-c2cc([N-]c3ccncn3)on2)cc1F ZINC001211022650 814709949 /nfs/dbraw/zinc/70/99/49/814709949.db2.gz BTHOPRGQXXHBEI-UHFFFAOYSA-N -1 3 274.230 3.153 20 0 CGADHM Cc1cc(OC(C)C)ncc1Nc1ncc(F)cc1[O-] ZINC001215770314 815585857 /nfs/dbraw/zinc/58/58/57/815585857.db2.gz APMKQBPTDOBHDB-UHFFFAOYSA-N -1 3 277.299 3.161 20 0 CGADHM Nc1cn(-c2ccc(F)c([O-])c2)c2nccc-2c1Cl ZINC001211215171 814851823 /nfs/dbraw/zinc/85/18/23/814851823.db2.gz NKESDTGXSNLTBT-UHFFFAOYSA-N -1 3 277.686 3.057 20 0 CGADHM Nc1ccc2nn(-c3ccc(F)c([O-])c3)cc2c1Cl ZINC001211218375 814853712 /nfs/dbraw/zinc/85/37/12/814853712.db2.gz RZBUUCQCWIVJEE-UHFFFAOYSA-N -1 3 277.686 3.106 20 0 CGADHM Cc1c(Cl)cc(Nc2cncn2C)c([O-])c1Cl ZINC001211251939 814862269 /nfs/dbraw/zinc/86/22/69/814862269.db2.gz RDCXPUAFAQLEBF-UHFFFAOYSA-N -1 3 272.135 3.485 20 0 CGADHM [O-]c1cc(F)cnc1Nc1ccc(Cl)nc1Cl ZINC001211273536 814867606 /nfs/dbraw/zinc/86/76/06/814867606.db2.gz AVGSHEWIHBVYBG-UHFFFAOYSA-N -1 3 274.082 3.372 20 0 CGADHM CSc1cccc(F)c1Nc1cnc(C)[n-]c1=O ZINC001215824206 815605191 /nfs/dbraw/zinc/60/51/91/815605191.db2.gz JZQCCNLSAMOKJW-UHFFFAOYSA-N -1 3 265.313 3.095 20 0 CGADHM c1cc(OC2CC2)cc(-c2cccc(-c3nnn[n-]3)c2)c1 ZINC001242806530 823140064 /nfs/dbraw/zinc/14/00/64/823140064.db2.gz FOSACXBHXPMIEF-UHFFFAOYSA-N -1 3 278.315 3.075 20 0 CGADHM c1cc(OC2CC2)cc(-c2cccc(-c3nn[n-]n3)c2)c1 ZINC001242806530 823140068 /nfs/dbraw/zinc/14/00/68/823140068.db2.gz FOSACXBHXPMIEF-UHFFFAOYSA-N -1 3 278.315 3.075 20 0 CGADHM CSc1ccc(Cl)cc1Nc1cnc[n-]c1=O ZINC001215913790 815627830 /nfs/dbraw/zinc/62/78/30/815627830.db2.gz RBFLOGZOQVJXLB-UHFFFAOYSA-N -1 3 267.741 3.301 20 0 CGADHM O=c1cc(Nc2c(O)cccc2Cl)nc(C2CC2)[n-]1 ZINC001215983524 815651198 /nfs/dbraw/zinc/65/11/98/815651198.db2.gz DQJDOOZTUMKOJJ-UHFFFAOYSA-N -1 3 277.711 3.162 20 0 CGADHM COc1cc(Nc2cccc([O-])c2Cl)ccc1CO ZINC001216117974 815702480 /nfs/dbraw/zinc/70/24/80/815702480.db2.gz QBPOXFNQRCZJQC-UHFFFAOYSA-N -1 3 279.723 3.290 20 0 CGADHM [O-]c1cc(F)cnc1Nc1ccc(O)cc1Cl ZINC001216427196 815825021 /nfs/dbraw/zinc/82/50/21/815825021.db2.gz XRLMJZWZKOKQBK-UHFFFAOYSA-N -1 3 254.648 3.029 20 0 CGADHM Cc1cccc(-c2noc(-c3[n-]nc4c3cccc4F)n2)n1 ZINC001217323028 815919931 /nfs/dbraw/zinc/91/99/31/815919931.db2.gz NBHKGDHCSMOVIA-UHFFFAOYSA-N -1 3 295.277 3.122 20 0 CGADHM Cc1cnccc1-c1noc(-c2[n-]nc3c2cccc3F)n1 ZINC001217323791 815920549 /nfs/dbraw/zinc/92/05/49/815920549.db2.gz YMFTZARDBWUNLE-UHFFFAOYSA-N -1 3 295.277 3.122 20 0 CGADHM COC(=O)c1ccc(-c2ccc(F)c([O-])c2)c(C)c1F ZINC001243052439 823228645 /nfs/dbraw/zinc/22/86/45/823228645.db2.gz VMMRCUVJGGPELZ-UHFFFAOYSA-N -1 3 278.254 3.432 20 0 CGADHM [O-]c1cc(-c2ccc(-c3ccccn3)nn2)ccc1F ZINC001243048604 823225909 /nfs/dbraw/zinc/22/59/09/823225909.db2.gz GOFTUZUVFPVQPE-UHFFFAOYSA-N -1 3 267.263 3.050 20 0 CGADHM [O-]c1cc(-c2ccc(-c3ncccn3)cn2)ccc1F ZINC001243048538 823226095 /nfs/dbraw/zinc/22/60/95/823226095.db2.gz KONWKLFJYGSDPH-UHFFFAOYSA-N -1 3 267.263 3.050 20 0 CGADHM Cc1cc(-c2ccc(F)c([O-])c2)nc(-c2ccncc2)n1 ZINC001243048185 823226147 /nfs/dbraw/zinc/22/61/47/823226147.db2.gz JZDYJYMOMINLIZ-UHFFFAOYSA-N -1 3 281.290 3.359 20 0 CGADHM COC(=O)c1cc(C)cc(-c2ccc(F)c([O-])c2)c1 ZINC001243050048 823226363 /nfs/dbraw/zinc/22/63/63/823226363.db2.gz FKIWDICSXGUKTF-UHFFFAOYSA-N -1 3 260.264 3.293 20 0 CGADHM CC(C)S(=O)(=O)c1ccccc1-c1ccc(F)c([O-])c1 ZINC001243050747 823227614 /nfs/dbraw/zinc/22/76/14/823227614.db2.gz WHXJGJKQVBAMSD-UHFFFAOYSA-N -1 3 294.347 3.380 20 0 CGADHM Cc1cc2ccncc2nc1-c1ccc(F)c([O-])c1 ZINC001243051713 823228404 /nfs/dbraw/zinc/22/84/04/823228404.db2.gz YDNAKOBVGSANSN-UHFFFAOYSA-N -1 3 254.264 3.450 20 0 CGADHM O=C1CCc2cc(-c3ccc(F)c([O-])c3)ccc2N1 ZINC001243050764 823227765 /nfs/dbraw/zinc/22/77/65/823227765.db2.gz XBNGCWXDYPYSIC-UHFFFAOYSA-N -1 3 257.264 3.083 20 0 CGADHM [O-]c1cc(-c2cccc3c2CCC32OCCO2)ccc1F ZINC001243052017 823228746 /nfs/dbraw/zinc/22/87/46/823228746.db2.gz VLPHILJBUYMKJA-UHFFFAOYSA-N -1 3 286.302 3.344 20 0 CGADHM COc1ccc2nc(-c3ccc(F)c([O-])c3)cnc2c1 ZINC001243054285 823230232 /nfs/dbraw/zinc/23/02/32/823230232.db2.gz MLTLUGYQYLPNOE-UHFFFAOYSA-N -1 3 270.263 3.150 20 0 CGADHM Cc1ccc(OC[C@H](C)Oc2ccc3c([O-])coc3c2)cc1 ZINC001225341286 817017814 /nfs/dbraw/zinc/01/78/14/817017814.db2.gz YJMAVDIRGGMLBJ-ZDUSSCGKSA-N -1 3 298.338 3.416 20 0 CGADHM Cc1ccc([C@@H](C)Oc2ccc3c([O-])coc3c2)cn1 ZINC001225342510 817017876 /nfs/dbraw/zinc/01/78/76/817017876.db2.gz JTGCSJFIDGICAB-LLVKDONJSA-N -1 3 269.300 3.105 20 0 CGADHM C[C@H]1CCC[C@@H]1Oc1cc(C(F)(F)F)[n-]c(=S)n1 ZINC001225852284 817196536 /nfs/dbraw/zinc/19/65/36/817196536.db2.gz DUPBPESYPZBDRQ-BQBZGAKWSA-N -1 3 278.299 3.352 20 0 CGADHM C[C@H](Oc1[n-]c(=S)ncc1C1CC1)c1ccccn1 ZINC001226118202 817278427 /nfs/dbraw/zinc/27/84/27/817278427.db2.gz COVOUYQOOZRJPF-VIFPVBQESA-N -1 3 273.361 3.178 20 0 CGADHM C[C@@H](Oc1cc(=O)[n-]c(-c2ccccc2)n1)C(F)(F)F ZINC001226183210 817292496 /nfs/dbraw/zinc/29/24/96/817292496.db2.gz SRGIYDOLKLWWDK-MRVPVSSYSA-N -1 3 284.237 3.179 20 0 CGADHM CCc1nc(O[C@H]2CCc3c2cc(F)cc3F)cc(=O)[n-]1 ZINC001226474786 817368250 /nfs/dbraw/zinc/36/82/50/817368250.db2.gz GZVKFJSYJGWRSQ-LBPRGKRZSA-N -1 3 292.285 3.089 20 0 CGADHM CC(=O)c1ccc([O-])c(O[C@@H](C(C)C)C(F)(F)F)c1O ZINC001226478906 817370053 /nfs/dbraw/zinc/37/00/53/817370053.db2.gz JIQGWQMWGMXLAR-LBPRGKRZSA-N -1 3 292.253 3.266 20 0 CGADHM CC(=O)c1ccc([O-])c(O[C@H](c2cccnc2)C2CC2)c1O ZINC001226481066 817372346 /nfs/dbraw/zinc/37/23/46/817372346.db2.gz BVSKDBWRYCRJTG-INIZCTEOSA-N -1 3 299.326 3.226 20 0 CGADHM CC(=O)c1ccc([O-])c(O[C@H](C)c2ccco2)c1O ZINC001226485398 817373272 /nfs/dbraw/zinc/37/32/72/817373272.db2.gz NWHLNASJWXXGLE-SECBINFHSA-N -1 3 262.261 3.033 20 0 CGADHM COC(=O)[C@H]1CC[C@H](Oc2cccc([O-])c2Cl)CC1 ZINC001226709729 817440538 /nfs/dbraw/zinc/44/05/38/817440538.db2.gz QKGYOEKGWPKIQO-MGCOHNPYSA-N -1 3 284.739 3.156 20 0 CGADHM CCC[C@@H](Oc1[n-]c(=O)ncc1OC)c1ccccc1 ZINC001226827882 817477382 /nfs/dbraw/zinc/47/73/82/817477382.db2.gz KKNVGGVQHNWJDK-GFCCVEGCSA-N -1 3 274.320 3.111 20 0 CGADHM C[C@H](Oc1ccnc(=S)[n-]1)c1c(F)cccc1F ZINC001226936595 817510278 /nfs/dbraw/zinc/51/02/78/817510278.db2.gz KAOZLMQOEHHCMP-ZETCQYMHSA-N -1 3 268.288 3.184 20 0 CGADHM Cc1cccc2c1[C@@H](Oc1ccnc(=S)[n-]1)CC2 ZINC001226936727 817510453 /nfs/dbraw/zinc/51/04/53/817510453.db2.gz KAYANPMTQFWPKM-NSHDSACASA-N -1 3 258.346 3.140 20 0 CGADHM CC[C@H](Oc1ccnc(=S)[n-]1)c1ccccc1F ZINC001226942280 817511313 /nfs/dbraw/zinc/51/13/13/817511313.db2.gz JZOZDLVJPSNKIF-NSHDSACASA-N -1 3 264.325 3.435 20 0 CGADHM CCCC[C@H](Oc1cc(=O)[n-]cn1)c1ccccc1 ZINC001226945027 817512251 /nfs/dbraw/zinc/51/22/51/817512251.db2.gz NGOIJBCOQBJLEG-ZDUSSCGKSA-N -1 3 258.321 3.493 20 0 CGADHM C[C@@H](Oc1cc(=O)[n-]cn1)c1csc(Cl)c1 ZINC001226946229 817512692 /nfs/dbraw/zinc/51/26/92/817512692.db2.gz HRHCEBCPSHVKMS-ZCFIWIBFSA-N -1 3 256.714 3.037 20 0 CGADHM CC(C)Oc1ccc(COc2ccc(=O)[n-]n2)cc1Cl ZINC001227092706 817554796 /nfs/dbraw/zinc/55/47/96/817554796.db2.gz CJXXPEKEQKANNO-UHFFFAOYSA-N -1 3 294.738 3.202 20 0 CGADHM CC[C@@H](C)Oc1c([O-])cc(Br)cc1F ZINC001227588876 817677348 /nfs/dbraw/zinc/67/73/48/817677348.db2.gz WDBWNLQLJVVRFK-ZCFIWIBFSA-N -1 3 263.106 3.471 20 0 CGADHM C[C@@H](COc1ncc(Cl)cc1[O-])Oc1ccccc1 ZINC001227983972 817773157 /nfs/dbraw/zinc/77/31/57/817773157.db2.gz XXPDGHAAVQDOMB-JTQLQIEISA-N -1 3 279.723 3.287 20 0 CGADHM CCCc1c([O-])ccc(C(C)=O)c1OC[C@@H](C)OCC ZINC001228133381 817819951 /nfs/dbraw/zinc/81/99/51/817819951.db2.gz DQENXPQLRJSICH-LLVKDONJSA-N -1 3 280.364 3.351 20 0 CGADHM Cc1cccc2c1CC[C@H]2Oc1n[n-]c(-c2ccncc2)n1 ZINC001228697936 817977902 /nfs/dbraw/zinc/97/79/02/817977902.db2.gz QDNCGUCWPZQRCU-OAHLLOKOSA-N -1 3 292.342 3.241 20 0 CGADHM COc1cccc([C@H](C)Oc2nnc(-c3cccnc3)[n-]2)c1 ZINC001228697014 817978233 /nfs/dbraw/zinc/97/82/33/817978233.db2.gz DKKDSFLEOXIDQL-NSHDSACASA-N -1 3 296.330 3.015 20 0 CGADHM COc1cccc([C@H](C)Oc2nc(-c3cccnc3)n[n-]2)c1 ZINC001228697014 817978237 /nfs/dbraw/zinc/97/82/37/817978237.db2.gz DKKDSFLEOXIDQL-NSHDSACASA-N -1 3 296.330 3.015 20 0 CGADHM COc1cccc([C@H](C)Oc2n[n-]c(-c3cccnc3)n2)c1 ZINC001228697014 817978243 /nfs/dbraw/zinc/97/82/43/817978243.db2.gz DKKDSFLEOXIDQL-NSHDSACASA-N -1 3 296.330 3.015 20 0 CGADHM CCC1CCC(Oc2n[n-]c(-c3ccncc3)n2)CC1 ZINC001228700629 817978860 /nfs/dbraw/zinc/97/88/60/817978860.db2.gz UUPYBSVLGFSZCL-UHFFFAOYSA-N -1 3 272.352 3.214 20 0 CGADHM COc1ccccc1[C@@H](C)Oc1cccc(-c2nnn[n-]2)c1 ZINC001231115851 818034894 /nfs/dbraw/zinc/03/48/94/818034894.db2.gz JYYKWXNFTZPUHA-LLVKDONJSA-N -1 3 296.330 3.015 20 0 CGADHM COc1ccccc1[C@@H](C)Oc1cccc(-c2nn[n-]n2)c1 ZINC001231115851 818034898 /nfs/dbraw/zinc/03/48/98/818034898.db2.gz JYYKWXNFTZPUHA-LLVKDONJSA-N -1 3 296.330 3.015 20 0 CGADHM CC(C)CCC[C@@H](C)Oc1cccc(-c2nnn[n-]2)c1 ZINC001231118800 818035803 /nfs/dbraw/zinc/03/58/03/818035803.db2.gz WRKDBPGUZWGCKX-GFCCVEGCSA-N -1 3 274.368 3.460 20 0 CGADHM CC(C)CCC[C@@H](C)Oc1cccc(-c2nn[n-]n2)c1 ZINC001231118800 818035804 /nfs/dbraw/zinc/03/58/04/818035804.db2.gz WRKDBPGUZWGCKX-GFCCVEGCSA-N -1 3 274.368 3.460 20 0 CGADHM [O-]c1ccccc1Oc1ccccc1OC[C@H]1CCO1 ZINC001231219768 818059724 /nfs/dbraw/zinc/05/97/24/818059724.db2.gz AFJRWFNGIRGHPY-GFCCVEGCSA-N -1 3 272.300 3.352 20 0 CGADHM [O-]c1ccc(CN2C[C@@H]3C[C@@H]3[C@H](F)C2)cc1C(F)(F)F ZINC001231522881 818121204 /nfs/dbraw/zinc/12/12/04/818121204.db2.gz LCSRPOBSAOCSAU-JBLDHEPKSA-N -1 3 289.272 3.201 20 0 CGADHM [O-]c1cc(CN2CC[C@@H]3CCCO[C@@H]3C2)ccc1Cl ZINC001231730746 818162354 /nfs/dbraw/zinc/16/23/54/818162354.db2.gz FRSFCRHDZPWDJJ-SWLSCSKDSA-N -1 3 281.783 3.047 20 0 CGADHM [O-]c1cc(CN2CCC3(C[C@@H](F)CO3)CC2)ccc1Cl ZINC001231734630 818163753 /nfs/dbraw/zinc/16/37/53/818163753.db2.gz BSFPVXHSLBOILW-GFCCVEGCSA-N -1 3 299.773 3.139 20 0 CGADHM C[C@@H]1CN(Cc2ccc(F)c([O-])c2F)C2(CC2)C1 ZINC001232940388 818479147 /nfs/dbraw/zinc/47/91/47/818479147.db2.gz PDJDPEJCHNHVNF-VIFPVBQESA-N -1 3 253.292 3.045 20 0 CGADHM C[C@]1(F)CCCN(Cc2cc([O-])c(F)c(F)c2)CC1 ZINC001232970953 818487076 /nfs/dbraw/zinc/48/70/76/818487076.db2.gz ODZGWZJPIWQXPQ-AWEZNQCLSA-N -1 3 273.298 3.385 20 0 CGADHM Cc1cccc(CN(C)Cc2cccc([O-])c2F)c1 ZINC001233050945 818509522 /nfs/dbraw/zinc/50/95/22/818509522.db2.gz WQIIKXCKWOCVFM-UHFFFAOYSA-N -1 3 259.324 3.472 20 0 CGADHM [O-]c1ccc(F)c(CN2CC[C@H]3CCC[C@@H]3C2)c1F ZINC001233393861 818609122 /nfs/dbraw/zinc/60/91/22/818609122.db2.gz PFYKGTCMRBHHSW-GHMZBOCLSA-N -1 3 267.319 3.292 20 0 CGADHM [O-]c1ccc(F)c(CN(CC2CC2)C2CC2)c1F ZINC001233396674 818610118 /nfs/dbraw/zinc/61/01/18/818610118.db2.gz OYKBQHAJKJPODC-UHFFFAOYSA-N -1 3 253.292 3.045 20 0 CGADHM C[C@H](Oc1c([O-])cc(Cl)cc1F)c1cncnc1 ZINC001234445907 818858278 /nfs/dbraw/zinc/85/82/78/818858278.db2.gz CEKMBQGAMRJRCM-ZETCQYMHSA-N -1 3 268.675 3.115 20 0 CGADHM O=c1[n-]cnc(OC2CCSCC2)c1-c1ccccc1 ZINC001234689348 818915114 /nfs/dbraw/zinc/91/51/14/818915114.db2.gz QJZNDTPZZNMYCJ-UHFFFAOYSA-N -1 3 288.372 3.124 20 0 CGADHM COc1cc([O-])c(C)c(O[C@@H]2C=CCCC2)c1C(C)=O ZINC001234790159 818924271 /nfs/dbraw/zinc/92/42/71/818924271.db2.gz DWXMZSCJBVUCKS-GFCCVEGCSA-N -1 3 276.332 3.399 20 0 CGADHM C[C@@H](Oc1nc2ccsc2[n-]1)c1cnc2ccccn21 ZINC001234850929 818933414 /nfs/dbraw/zinc/93/34/14/818933414.db2.gz BUXFADGCNKLEDE-SECBINFHSA-N -1 3 284.344 3.412 20 0 CGADHM C[C@@H](Oc1nc2sccc2[n-]1)c1cnc2ccccn21 ZINC001234850929 818933418 /nfs/dbraw/zinc/93/34/18/818933418.db2.gz BUXFADGCNKLEDE-SECBINFHSA-N -1 3 284.344 3.412 20 0 CGADHM c1cc2nc(OC[C@H]3CCc4ccccc4O3)[n-]c2s1 ZINC001234851164 818933762 /nfs/dbraw/zinc/93/37/62/818933762.db2.gz GCNXIKOPDVGRDS-LLVKDONJSA-N -1 3 286.356 3.397 20 0 CGADHM c1cc2[n-]c(OC[C@H]3CCc4ccccc4O3)nc2s1 ZINC001234851164 818933768 /nfs/dbraw/zinc/93/37/68/818933768.db2.gz GCNXIKOPDVGRDS-LLVKDONJSA-N -1 3 286.356 3.397 20 0 CGADHM CC(C)C[C@H](C)Oc1nc(=O)[n-]c2c1SCCC2 ZINC001234905560 818949274 /nfs/dbraw/zinc/94/92/74/818949274.db2.gz HGHKHZBDCBZYQV-VIFPVBQESA-N -1 3 268.382 3.034 20 0 CGADHM CSc1ccc(-c2cc([O-])cc(Cl)c2)nn1 ZINC001235901257 819211272 /nfs/dbraw/zinc/21/12/72/819211272.db2.gz RSWZLTJXYDMHAT-UHFFFAOYSA-N -1 3 252.726 3.225 20 0 CGADHM CC(C)Oc1ccc(F)c(-c2ccc(=S)[n-]n2)c1 ZINC001243444900 823406457 /nfs/dbraw/zinc/40/64/57/823406457.db2.gz OQFGZYOCGHIIHI-UHFFFAOYSA-N -1 3 264.325 3.359 20 0 CGADHM CN(Cc1sc(=O)[n-]c1Cl)Cc1cccc(F)c1 ZINC001237162009 819684734 /nfs/dbraw/zinc/68/47/34/819684734.db2.gz SJYJRYUITLVWBA-UHFFFAOYSA-N -1 3 286.759 3.273 20 0 CGADHM [S-]c1ccoc1CN1Cc2cnc(Cl)cc2C1 ZINC001237187932 819693547 /nfs/dbraw/zinc/69/35/47/819693547.db2.gz SIEXMMDDHKVRHQ-UHFFFAOYSA-N -1 3 266.753 3.133 20 0 CGADHM C[C@H]1C(=O)CCN(Cc2cc([O-])cc(F)c2)C12CCCC2 ZINC001237285906 819716847 /nfs/dbraw/zinc/71/68/47/819716847.db2.gz DSDJTCZTQDHERG-LBPRGKRZSA-N -1 3 291.366 3.255 20 0 CGADHM COc1cnc(-c2cccc([O-])c2F)c2[nH]ccc21 ZINC001243543701 823436528 /nfs/dbraw/zinc/43/65/28/823436528.db2.gz WLXZWJIHZOPRAO-UHFFFAOYSA-N -1 3 258.252 3.083 20 0 CGADHM [O-]c1cccc(-c2ccc(CN3CCOCC3)cc2)c1F ZINC001243544102 823437141 /nfs/dbraw/zinc/43/71/41/823437141.db2.gz AZAKBWLTUHZXHT-UHFFFAOYSA-N -1 3 287.334 3.031 20 0 CGADHM [O-]c1cccc(-c2ccc(-c3ccco3)nn2)c1F ZINC001243543887 823437322 /nfs/dbraw/zinc/43/73/22/823437322.db2.gz JSSFQOCCYFNZSP-UHFFFAOYSA-N -1 3 256.236 3.248 20 0 CGADHM COC(=O)c1c(C)c(OC)ccc1-c1cccc([O-])c1F ZINC001243544925 823437649 /nfs/dbraw/zinc/43/76/49/823437649.db2.gz KJJCDJNLCPDTOF-UHFFFAOYSA-N -1 3 290.290 3.302 20 0 CGADHM COC(=O)c1cc(-c2cccc([O-])c2F)c(C)cc1F ZINC001243545089 823438032 /nfs/dbraw/zinc/43/80/32/823438032.db2.gz QQIHDCFHSHSWGA-UHFFFAOYSA-N -1 3 278.254 3.432 20 0 CGADHM [O-]c1cccc(-c2c3ncnn3ccc2C(F)(F)F)c1F ZINC001243549378 823440979 /nfs/dbraw/zinc/44/09/79/823440979.db2.gz ZLWSVCQUFCVMCS-UHFFFAOYSA-N -1 3 297.211 3.260 20 0 CGADHM CC1(C)NC(=O)c2cc(-c3cccc([O-])c3F)ccc21 ZINC001243546675 823438813 /nfs/dbraw/zinc/43/88/13/823438813.db2.gz RWSOYNPPGONFLW-UHFFFAOYSA-N -1 3 271.291 3.177 20 0 CGADHM O=C1c2cccc(-c3cccc([O-])c3F)c2CN1C1CC1 ZINC001243546591 823439209 /nfs/dbraw/zinc/43/92/09/823439209.db2.gz AFBDFVGDWMQYQL-UHFFFAOYSA-N -1 3 283.302 3.317 20 0 CGADHM [O-]c1cccc(-c2ccnc(OC3CCOCC3)c2)c1F ZINC001243546981 823439582 /nfs/dbraw/zinc/43/95/82/823439582.db2.gz WOVZUSLPOIFDQM-UHFFFAOYSA-N -1 3 289.306 3.151 20 0 CGADHM CN1CCN(c2cccc(-c3cccc([S-])c3)c2)CC1 ZINC001243669932 823480575 /nfs/dbraw/zinc/48/05/75/823480575.db2.gz WYBNFKMDRSGIJN-UHFFFAOYSA-N -1 3 284.428 3.394 20 0 CGADHM Cc1cc(-c2nnn[n-]2)ccc1-c1cc(F)cc2[nH]ccc21 ZINC001240046274 820802741 /nfs/dbraw/zinc/80/27/41/820802741.db2.gz UQFRYCNEPUNPPA-UHFFFAOYSA-N -1 3 293.305 3.463 20 0 CGADHM Cc1cc(-c2nn[n-]n2)ccc1-c1cc(F)cc2[nH]ccc21 ZINC001240046274 820802748 /nfs/dbraw/zinc/80/27/48/820802748.db2.gz UQFRYCNEPUNPPA-UHFFFAOYSA-N -1 3 293.305 3.463 20 0 CGADHM Cc1cc(-c2nnn[n-]2)ccc1-c1cccc2[nH]ccc21 ZINC001240713863 821269504 /nfs/dbraw/zinc/26/95/04/821269504.db2.gz FHYJROFSIZPGHA-UHFFFAOYSA-N -1 3 275.315 3.323 20 0 CGADHM Cc1cc(-c2nn[n-]n2)ccc1-c1cccc2[nH]ccc21 ZINC001240713863 821269512 /nfs/dbraw/zinc/26/95/12/821269512.db2.gz FHYJROFSIZPGHA-UHFFFAOYSA-N -1 3 275.315 3.323 20 0 CGADHM [O-]c1ccc(-c2ncccc2-n2cccc2)cc1F ZINC001240781829 821321104 /nfs/dbraw/zinc/32/11/04/821321104.db2.gz JVDRPSAPKRYOLX-UHFFFAOYSA-N -1 3 254.264 3.384 20 0 CGADHM O=c1ccc(-c2ccc([O-])c(F)c2)cn1Cc1ccccc1 ZINC001240786713 821327554 /nfs/dbraw/zinc/32/75/54/821327554.db2.gz QWEQUEBRIJELMQ-UHFFFAOYSA-N -1 3 295.313 3.408 20 0 CGADHM CCOC(=O)c1ccc(-c2ccc([O-])c(F)c2)c(C)n1 ZINC001240787664 821328735 /nfs/dbraw/zinc/32/87/35/821328735.db2.gz NHFLYZNUQIYPFY-UHFFFAOYSA-N -1 3 275.279 3.078 20 0 CGADHM CC(C)(C)OC(=O)c1cccnc1-c1ccccc1[O-] ZINC001241003710 821483243 /nfs/dbraw/zinc/48/32/43/821483243.db2.gz SRNHSGYOSXNTFO-UHFFFAOYSA-N -1 3 271.316 3.410 20 0 CGADHM [O-]c1ccccc1-c1cncc(OCC2CCCC2)n1 ZINC001241007903 821483977 /nfs/dbraw/zinc/48/39/77/821483977.db2.gz BWGNYBHQEYSQER-UHFFFAOYSA-N -1 3 270.332 3.418 20 0 CGADHM Cc1nc(-c2ccccn2)cc(-c2ccccc2[O-])n1 ZINC001241008527 821485203 /nfs/dbraw/zinc/48/52/03/821485203.db2.gz RGRSUFMODHOQHG-UHFFFAOYSA-N -1 3 263.300 3.220 20 0 CGADHM CCOC(=O)c1cnc(C2CC2)nc1-c1ccc(C)cc1[O-] ZINC001241030746 821505864 /nfs/dbraw/zinc/50/58/64/821505864.db2.gz QMUFPDXPNLJSON-UHFFFAOYSA-N -1 3 298.342 3.212 20 0 CGADHM CSc1c[nH]c2ncnc(-c3ccc(C)cc3[O-])c12 ZINC001241035831 821511921 /nfs/dbraw/zinc/51/19/21/821511921.db2.gz FKZMKYVKDBJVAE-UHFFFAOYSA-N -1 3 271.345 3.312 20 0 CGADHM CCOc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1F ZINC001241087204 821550529 /nfs/dbraw/zinc/55/05/29/821550529.db2.gz NEYSBGXXGFFZKD-UHFFFAOYSA-N -1 3 284.294 3.072 20 0 CGADHM CCOc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1F ZINC001241087204 821550533 /nfs/dbraw/zinc/55/05/33/821550533.db2.gz NEYSBGXXGFFZKD-UHFFFAOYSA-N -1 3 284.294 3.072 20 0 CGADHM [O-]c1cc(F)cc(-c2cccc(OC(F)F)n2)c1 ZINC001241256177 821675655 /nfs/dbraw/zinc/67/56/55/821675655.db2.gz PEDDPWSOVILBPO-UHFFFAOYSA-N -1 3 255.195 3.195 20 0 CGADHM CCOc1ccc(-c2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC001241276824 821695228 /nfs/dbraw/zinc/69/52/28/821695228.db2.gz SEQYNGWLXJSGTI-UHFFFAOYSA-N -1 3 284.294 3.072 20 0 CGADHM CCOc1ccc(-c2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC001241276824 821695233 /nfs/dbraw/zinc/69/52/33/821695233.db2.gz SEQYNGWLXJSGTI-UHFFFAOYSA-N -1 3 284.294 3.072 20 0 CGADHM COCOc1ccc(OC)cc1-c1cc([O-])cc(F)c1 ZINC001241277603 821696376 /nfs/dbraw/zinc/69/63/76/821696376.db2.gz LZTOKEXGEBYCJP-UHFFFAOYSA-N -1 3 278.279 3.190 20 0 CGADHM CC(=O)Nc1ccc(F)c(-c2cc([O-])cc(F)c2)c1 ZINC001241278034 821696899 /nfs/dbraw/zinc/69/68/99/821696899.db2.gz UIRPBLMUMHNQQK-UHFFFAOYSA-N -1 3 263.243 3.296 20 0 CGADHM COc1cc(-n2ccnc2)ccc1-c1cc([O-])cc(F)c1 ZINC001241283027 821703114 /nfs/dbraw/zinc/70/31/14/821703114.db2.gz QIILIARYNCJNHJ-UHFFFAOYSA-N -1 3 284.290 3.393 20 0 CGADHM CC(=O)Nc1ccc(-c2c(F)ccc([O-])c2F)cc1F ZINC001241291351 821707550 /nfs/dbraw/zinc/70/75/50/821707550.db2.gz NIYAIGKYJIDJGQ-UHFFFAOYSA-N -1 3 281.233 3.435 20 0 CGADHM COc1cc(-c2c(F)ccc([O-])c2F)ccc1NC(C)=O ZINC001241292458 821709289 /nfs/dbraw/zinc/70/92/89/821709289.db2.gz ABZLTUWBZYWRNR-UHFFFAOYSA-N -1 3 293.269 3.304 20 0 CGADHM Cn1ccc2cc(-c3c(F)ccc([O-])c3F)cnc21 ZINC001241292502 821709487 /nfs/dbraw/zinc/70/94/87/821709487.db2.gz CPPIDWKNSJLWEY-UHFFFAOYSA-N -1 3 260.243 3.224 20 0 CGADHM CSc1cccc(-c2cc(F)cc(-c3nnn[n-]3)c2)c1 ZINC001241315795 821725904 /nfs/dbraw/zinc/72/59/04/821725904.db2.gz QBOYEUDKPLNHPT-UHFFFAOYSA-N -1 3 286.335 3.395 20 0 CGADHM CSc1cccc(-c2cc(F)cc(-c3nn[n-]n3)c2)c1 ZINC001241315795 821725906 /nfs/dbraw/zinc/72/59/06/821725906.db2.gz QBOYEUDKPLNHPT-UHFFFAOYSA-N -1 3 286.335 3.395 20 0 CGADHM c1cc2cccc(-c3cncc(-c4nnn[n-]4)c3)c2s1 ZINC001241405048 821802305 /nfs/dbraw/zinc/80/23/05/821802305.db2.gz NTYYMPLNUSMUSC-UHFFFAOYSA-N -1 3 279.328 3.143 20 0 CGADHM c1cc2cccc(-c3cncc(-c4nn[n-]n4)c3)c2s1 ZINC001241405048 821802312 /nfs/dbraw/zinc/80/23/12/821802312.db2.gz NTYYMPLNUSMUSC-UHFFFAOYSA-N -1 3 279.328 3.143 20 0 CGADHM c1nc2c(cccc2-c2ccc(-c3nnn[n-]3)cc2)s1 ZINC001241443637 821838222 /nfs/dbraw/zinc/83/82/22/821838222.db2.gz IYOGLOZDQFEZCS-UHFFFAOYSA-N -1 3 279.328 3.143 20 0 CGADHM c1nc2c(cccc2-c2ccc(-c3nn[n-]n3)cc2)s1 ZINC001241443637 821838228 /nfs/dbraw/zinc/83/82/28/821838228.db2.gz IYOGLOZDQFEZCS-UHFFFAOYSA-N -1 3 279.328 3.143 20 0 CGADHM Cc1cc(-c2ccc(-c3nnn[n-]3)cc2)cc2cccnc12 ZINC001241444458 821838314 /nfs/dbraw/zinc/83/83/14/821838314.db2.gz DCWKYMGYAGLTDT-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM Cc1cc(-c2ccc(-c3nn[n-]n3)cc2)cc2cccnc12 ZINC001241444458 821838319 /nfs/dbraw/zinc/83/83/19/821838319.db2.gz DCWKYMGYAGLTDT-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM CSc1ccccc1-c1ccc(-c2nnn[n-]2)cc1 ZINC001241443579 821838861 /nfs/dbraw/zinc/83/88/61/821838861.db2.gz HCMVNZHFGUXTNK-UHFFFAOYSA-N -1 3 268.345 3.256 20 0 CGADHM CSc1ccccc1-c1ccc(-c2nn[n-]n2)cc1 ZINC001241443579 821838865 /nfs/dbraw/zinc/83/88/65/821838865.db2.gz HCMVNZHFGUXTNK-UHFFFAOYSA-N -1 3 268.345 3.256 20 0 CGADHM CCc1cccc(C)c1-c1ccc(-c2nnn[n-]2)cc1 ZINC001241445705 821839627 /nfs/dbraw/zinc/83/96/27/821839627.db2.gz UZOKSTDZOUKMPZ-UHFFFAOYSA-N -1 3 264.332 3.405 20 0 CGADHM CCc1cccc(C)c1-c1ccc(-c2nn[n-]n2)cc1 ZINC001241445705 821839632 /nfs/dbraw/zinc/83/96/32/821839632.db2.gz UZOKSTDZOUKMPZ-UHFFFAOYSA-N -1 3 264.332 3.405 20 0 CGADHM CCOCc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001241445546 821840258 /nfs/dbraw/zinc/84/02/58/821840258.db2.gz ROJUIWYMUQNJJU-UHFFFAOYSA-N -1 3 280.331 3.070 20 0 CGADHM CCOCc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001241445546 821840264 /nfs/dbraw/zinc/84/02/64/821840264.db2.gz ROJUIWYMUQNJJU-UHFFFAOYSA-N -1 3 280.331 3.070 20 0 CGADHM C1=Cc2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc2C1 ZINC001241445930 821840333 /nfs/dbraw/zinc/84/03/33/821840333.db2.gz WNIJXYLRHGHWPC-UHFFFAOYSA-N -1 3 260.300 3.103 20 0 CGADHM C1=Cc2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc2C1 ZINC001241445930 821840336 /nfs/dbraw/zinc/84/03/36/821840336.db2.gz WNIJXYLRHGHWPC-UHFFFAOYSA-N -1 3 260.300 3.103 20 0 CGADHM Clc1ccc(C=Cc2cncc(-c3nnn[n-]3)c2)cc1 ZINC001241587656 821973495 /nfs/dbraw/zinc/97/34/95/821973495.db2.gz XPWWLIZACULUHK-OWOJBTEDSA-N -1 3 283.722 3.086 20 0 CGADHM Clc1ccc(C=Cc2cncc(-c3nn[n-]n3)c2)cc1 ZINC001241587656 821973502 /nfs/dbraw/zinc/97/35/02/821973502.db2.gz XPWWLIZACULUHK-OWOJBTEDSA-N -1 3 283.722 3.086 20 0 CGADHM CCCc1ccc(-c2ccc3[n-]c(C(=O)OC)nc3n2)cc1 ZINC001241690170 822071055 /nfs/dbraw/zinc/07/10/55/822071055.db2.gz WDSXREHHLDYBHK-UHFFFAOYSA-N -1 3 295.342 3.316 20 0 CGADHM CCCc1ccc(-c2ccc3nc(C(=O)OC)[n-]c3n2)cc1 ZINC001241690170 822071061 /nfs/dbraw/zinc/07/10/61/822071061.db2.gz WDSXREHHLDYBHK-UHFFFAOYSA-N -1 3 295.342 3.316 20 0 CGADHM CCCc1ccc(-c2ccc3nc(C(=O)OC)nc-3[n-]2)cc1 ZINC001241690170 822071069 /nfs/dbraw/zinc/07/10/69/822071069.db2.gz WDSXREHHLDYBHK-UHFFFAOYSA-N -1 3 295.342 3.316 20 0 CGADHM CCCc1ccc(-c2cc(-c3nnn[n-]3)ccc2OC)cc1 ZINC001241690295 822072316 /nfs/dbraw/zinc/07/23/16/822072316.db2.gz ZJFHXQWUHKVXHM-UHFFFAOYSA-N -1 3 294.358 3.495 20 0 CGADHM CCCc1ccc(-c2cc(-c3nn[n-]n3)ccc2OC)cc1 ZINC001241690295 822072322 /nfs/dbraw/zinc/07/23/22/822072322.db2.gz ZJFHXQWUHKVXHM-UHFFFAOYSA-N -1 3 294.358 3.495 20 0 CGADHM Cc1cscc1-c1ccc(-c2nnn[n-]2)cc1C ZINC001241731270 822110035 /nfs/dbraw/zinc/11/00/35/822110035.db2.gz VFYLHLRMMQSQMR-UHFFFAOYSA-N -1 3 256.334 3.212 20 0 CGADHM Cc1cscc1-c1ccc(-c2nn[n-]n2)cc1C ZINC001241731270 822110037 /nfs/dbraw/zinc/11/00/37/822110037.db2.gz VFYLHLRMMQSQMR-UHFFFAOYSA-N -1 3 256.334 3.212 20 0 CGADHM CCOC(=O)c1nc2ccc(-c3cc(C)nc(C)c3)cc2[n-]1 ZINC001241994207 822263857 /nfs/dbraw/zinc/26/38/57/822263857.db2.gz HGNSYMMEUJYKIF-UHFFFAOYSA-N -1 3 295.342 3.418 20 0 CGADHM CCOC(=O)c1nc2cc(-c3cc(C)nc(C)c3)ccc2[n-]1 ZINC001241994207 822263863 /nfs/dbraw/zinc/26/38/63/822263863.db2.gz HGNSYMMEUJYKIF-UHFFFAOYSA-N -1 3 295.342 3.418 20 0 CGADHM Cc1ccc(-c2ccc(-c3nnn[n-]3)c(F)c2)c(F)c1F ZINC001242030800 822294511 /nfs/dbraw/zinc/29/45/11/822294511.db2.gz QUWMMZOGHFOCFK-UHFFFAOYSA-N -1 3 290.248 3.259 20 0 CGADHM Cc1ccc(-c2ccc(-c3nn[n-]n3)c(F)c2)c(F)c1F ZINC001242030800 822294515 /nfs/dbraw/zinc/29/45/15/822294515.db2.gz QUWMMZOGHFOCFK-UHFFFAOYSA-N -1 3 290.248 3.259 20 0 CGADHM CC(=O)Nc1ccc(-c2ccc(F)cc2[O-])cc1F ZINC001242217935 822915009 /nfs/dbraw/zinc/91/50/09/822915009.db2.gz NDYVWWFHEHMCFH-UHFFFAOYSA-N -1 3 263.243 3.296 20 0 CGADHM [O-]c1ccc(C(F)(F)F)cc1-c1nccc2[nH]cnc21 ZINC001242125966 822886528 /nfs/dbraw/zinc/88/65/28/822886528.db2.gz CXBCPQSEDGYXKY-UHFFFAOYSA-N -1 3 279.221 3.349 20 0 CGADHM COc1ccc(-c2nnn[n-]2)cc1-c1cccc(Cl)c1 ZINC001242146766 822893298 /nfs/dbraw/zinc/89/32/98/822893298.db2.gz RCMOTLRBLCWEQO-UHFFFAOYSA-N -1 3 286.722 3.196 20 0 CGADHM COc1ccc(-c2nn[n-]n2)cc1-c1cccc(Cl)c1 ZINC001242146766 822893301 /nfs/dbraw/zinc/89/33/01/822893301.db2.gz RCMOTLRBLCWEQO-UHFFFAOYSA-N -1 3 286.722 3.196 20 0 CGADHM Clc1cccc(-c2cccc(-c3nnn[n-]3)c2)c1 ZINC001242147070 822893950 /nfs/dbraw/zinc/89/39/50/822893950.db2.gz XQBBRXZXAGGUAH-UHFFFAOYSA-N -1 3 256.696 3.187 20 0 CGADHM Clc1cccc(-c2cccc(-c3nn[n-]n3)c2)c1 ZINC001242147070 822893955 /nfs/dbraw/zinc/89/39/55/822893955.db2.gz XQBBRXZXAGGUAH-UHFFFAOYSA-N -1 3 256.696 3.187 20 0 CGADHM COC(=O)c1ccc(-c2ccc([O-])c(C(F)(F)F)c2)cn1 ZINC001242157612 822899391 /nfs/dbraw/zinc/89/93/91/822899391.db2.gz JZVZCJMSXFFOQS-UHFFFAOYSA-N -1 3 297.232 3.260 20 0 CGADHM CCOC(=O)c1cnc(C)c(-c2ccc(F)cc2[O-])c1 ZINC001242218937 822915749 /nfs/dbraw/zinc/91/57/49/822915749.db2.gz FGPRNKCNIHTHAQ-UHFFFAOYSA-N -1 3 275.279 3.078 20 0 CGADHM [O-]c1cc(F)ccc1-c1ccccc1Cn1ccnc1 ZINC001242218576 822915762 /nfs/dbraw/zinc/91/57/62/822915762.db2.gz FWWUXNMAUFQAIK-UHFFFAOYSA-N -1 3 268.291 3.443 20 0 CGADHM CC(=O)Nc1ccc(-c2ccc(F)cc2[O-])c(C)c1 ZINC001242220535 822916773 /nfs/dbraw/zinc/91/67/73/822916773.db2.gz CNOAOMCRCSGNSE-UHFFFAOYSA-N -1 3 259.280 3.465 20 0 CGADHM Cc1cccc(-c2ccc(C)c(-c3nnn[n-]3)c2)c1F ZINC001242239480 822922570 /nfs/dbraw/zinc/92/25/70/822922570.db2.gz ZJRASYVICWAXTF-UHFFFAOYSA-N -1 3 268.295 3.290 20 0 CGADHM Cc1cccc(-c2ccc(C)c(-c3nn[n-]n3)c2)c1F ZINC001242239480 822922575 /nfs/dbraw/zinc/92/25/75/822922575.db2.gz ZJRASYVICWAXTF-UHFFFAOYSA-N -1 3 268.295 3.290 20 0 CGADHM Cc1c(F)c(F)ccc1-c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001242307554 822946333 /nfs/dbraw/zinc/94/63/33/822946333.db2.gz VQOFVCVQFJEIMU-UHFFFAOYSA-N -1 3 290.248 3.259 20 0 CGADHM Cc1c(F)c(F)ccc1-c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001242307554 822946335 /nfs/dbraw/zinc/94/63/35/822946335.db2.gz VQOFVCVQFJEIMU-UHFFFAOYSA-N -1 3 290.248 3.259 20 0 CGADHM CCOC(=O)Cc1cccc(-c2cccc(F)c2[O-])c1 ZINC001242351615 822961766 /nfs/dbraw/zinc/96/17/66/822961766.db2.gz YWJZMTCFUSEFCH-UHFFFAOYSA-N -1 3 274.291 3.304 20 0 CGADHM COC(=O)c1cc(C)ccc1-c1cccc(F)c1[O-] ZINC001242352336 822961967 /nfs/dbraw/zinc/96/19/67/822961967.db2.gz SMFUJJLHRLRLLE-UHFFFAOYSA-N -1 3 260.264 3.293 20 0 CGADHM CC1(C)C(=O)Nc2cccc(-c3cccc(F)c3[O-])c21 ZINC001242352874 822962513 /nfs/dbraw/zinc/96/25/13/822962513.db2.gz UAKZBBSDHJHNSU-UHFFFAOYSA-N -1 3 271.291 3.428 20 0 CGADHM CC(C)n1cc(-c2ccc3c(c2)[N-]C(=S)C3)cn1 ZINC001242438874 822995241 /nfs/dbraw/zinc/99/52/41/822995241.db2.gz WCIIWSUHMYAFRD-UHFFFAOYSA-N -1 3 257.362 3.426 20 0 CGADHM FC(F)Oc1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC001242442162 822996400 /nfs/dbraw/zinc/99/64/00/822996400.db2.gz ZDNHOZOENPGBGC-UHFFFAOYSA-N -1 3 288.257 3.135 20 0 CGADHM FC(F)Oc1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC001242442162 822996401 /nfs/dbraw/zinc/99/64/01/822996401.db2.gz ZDNHOZOENPGBGC-UHFFFAOYSA-N -1 3 288.257 3.135 20 0 CGADHM CC1(C)C[C@H](C(=O)Nc2cc(Cl)ccc2[O-])CCO1 ZINC001338917617 936338941 /nfs/dbraw/zinc/33/89/41/936338941.db2.gz FPJVWPAJDDRKKZ-SECBINFHSA-N -1 3 283.755 3.189 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2ccc(-c3cnn(C)c3)cc2)n1 ZINC001342256151 936463489 /nfs/dbraw/zinc/46/34/89/936463489.db2.gz VZUCGQWCXOGYSR-YVMONPNESA-N -1 3 292.342 3.062 20 0 CGADHM O=C([N-]c1cc(F)c(F)c(F)c1)c1ocnc1C(F)F ZINC001538904183 936930913 /nfs/dbraw/zinc/93/09/13/936930913.db2.gz ACLBNIJWGXQFLX-UHFFFAOYSA-N -1 3 292.163 3.282 20 0 CGADHM O=C(/C=C/c1nccs1)Nc1ccc(Cl)cc1[O-] ZINC001351536136 937019476 /nfs/dbraw/zinc/01/94/76/937019476.db2.gz LREBFMFMMNOYHT-ONEGZZNKSA-N -1 3 280.736 3.154 20 0 CGADHM Cc1cc([N-]C(=O)c2cc(F)c(Cl)nc2Cl)no1 ZINC001355143132 937125435 /nfs/dbraw/zinc/12/54/35/937125435.db2.gz NVJOXJKOVLTQRA-UHFFFAOYSA-N -1 3 290.081 3.076 20 0 CGADHM [O-]c1ccc(NC(=S)NCc2ccccc2)cc1F ZINC000168633195 927362787 /nfs/dbraw/zinc/36/27/87/927362787.db2.gz VGPXOZJAJMZKCB-UHFFFAOYSA-N -1 3 276.336 3.018 20 0 CGADHM COC(=O)Nc1ccc(C(=O)OCCC=C(C)C)cc1[O-] ZINC001327130079 928611525 /nfs/dbraw/zinc/61/15/25/928611525.db2.gz SCHYBAYYBSQZNL-UHFFFAOYSA-N -1 3 293.319 3.084 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])c1ccc2[nH]ccc2n1 ZINC001446512981 937363736 /nfs/dbraw/zinc/36/37/36/937363736.db2.gz DXAQKTDQXBVVPS-UHFFFAOYSA-N -1 3 287.706 3.174 20 0 CGADHM Cc1ccc(C(=O)N[C@H]2C[C@H](OC(C)C)C2(C)C)c([O-])c1 ZINC001447370231 937368589 /nfs/dbraw/zinc/36/85/89/937368589.db2.gz HATIEVZPWQAWJF-GJZGRUSLSA-N -1 3 291.391 3.023 20 0 CGADHM CC(C)c1cccc(C(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)n1 ZINC001450053318 937382473 /nfs/dbraw/zinc/38/24/73/937382473.db2.gz YOHFBMGVPTYRPA-UHFFFAOYSA-N -1 3 296.330 3.039 20 0 CGADHM C[C@@H](Oc1ccc2c(c1)CCN(C)C2)C1=CC=C[CH]1 ZINC001228945850 932056499 /nfs/dbraw/zinc/05/64/99/932056499.db2.gz VXKJDUYWZWECTB-CYBMUJFWSA-N -1 3 254.353 3.142 20 0 CGADHM Cc1csc2[n-]c(=S)nc(OC[C@H]3CCCCO3)c12 ZINC001229351927 932136898 /nfs/dbraw/zinc/13/68/98/932136898.db2.gz DTFYRNFUASTNMR-SECBINFHSA-N -1 3 296.417 3.236 20 0 CGADHM CC[C@@H](C)Oc1nc(=S)[n-]c2scc(C)c21 ZINC001229351938 932138917 /nfs/dbraw/zinc/13/89/17/932138917.db2.gz DXQQBTJHLVJRRT-SSDOTTSWSA-N -1 3 254.380 3.466 20 0 CGADHM CCO[C@@H](C)COc1nc(=S)[n-]c2scc(C)c21 ZINC001229351922 932139135 /nfs/dbraw/zinc/13/91/35/932139135.db2.gz DQSIGZSUDDBMQC-QMMMGPOBSA-N -1 3 284.406 3.092 20 0 CGADHM COC1CCC(Oc2nc(=S)[n-]c3sccc32)CC1 ZINC001229570562 932173330 /nfs/dbraw/zinc/17/33/30/932173330.db2.gz RTVMCRSQQJYXAJ-UHFFFAOYSA-N -1 3 296.417 3.316 20 0 CGADHM Cc1ccc2c(c1)CC[C@@H]2Oc1nc(C)[n-]c(=O)c1C ZINC001229684304 932188665 /nfs/dbraw/zinc/18/86/65/932188665.db2.gz ZRCWXEPPQLNSCQ-AWEZNQCLSA-N -1 3 270.332 3.174 20 0 CGADHM Cc1cccc2c1[C@H](Oc1nc(C)[n-]c(=O)c1C)CC2 ZINC001229683880 932188961 /nfs/dbraw/zinc/18/89/61/932188961.db2.gz OVRARUNQJPGFGX-CYBMUJFWSA-N -1 3 270.332 3.174 20 0 CGADHM Cc1nc(O[C@H]2CCc3cc(F)ccc32)c(C)c(=O)[n-]1 ZINC001229689813 932470197 /nfs/dbraw/zinc/47/01/97/932470197.db2.gz NMYWPZOHJGXIIH-ZDUSSCGKSA-N -1 3 274.295 3.004 20 0 CGADHM C[C@H]1CC(Oc2ccccc2-c2nnn[n-]2)C[C@H](C)C1 ZINC001229954502 932510170 /nfs/dbraw/zinc/51/01/70/932510170.db2.gz LNRZXPMFFUHTPV-GHMZBOCLSA-N -1 3 272.352 3.070 20 0 CGADHM C[C@H]1CC(Oc2ccccc2-c2nn[n-]n2)C[C@H](C)C1 ZINC001229954502 932510174 /nfs/dbraw/zinc/51/01/74/932510174.db2.gz LNRZXPMFFUHTPV-GHMZBOCLSA-N -1 3 272.352 3.070 20 0 CGADHM CC[C@H](Oc1nc(=O)[n-]c2c1SCC2)C(C)(C)C ZINC001230792240 932624478 /nfs/dbraw/zinc/62/44/78/932624478.db2.gz MVHJGOSACQNGHJ-VIFPVBQESA-N -1 3 268.382 3.034 20 0 CGADHM C[C@H]1CCC[C@@H]1Oc1nc(=O)[n-]cc1-c1ccccc1 ZINC001230970906 932650886 /nfs/dbraw/zinc/65/08/86/932650886.db2.gz OHUAXWASBASUFE-FZMZJTMJSA-N -1 3 270.332 3.417 20 0 CGADHM C[C@H]1CC[C@@H](Oc2[n-]c(=O)nc3cccc(F)c32)C1 ZINC001231074173 932672284 /nfs/dbraw/zinc/67/22/84/932672284.db2.gz MEDFWEMZRPOOSA-DTWKUNHWSA-N -1 3 262.284 3.042 20 0 CGADHM CCOC(=O)c1c(Cl)[n-]c(=O)cc1O[C@@H]1CC[C@H](C)C1 ZINC001231091569 932676735 /nfs/dbraw/zinc/67/67/35/932676735.db2.gz XFRCFEIMPFEVNU-DTWKUNHWSA-N -1 3 299.754 3.185 20 0 CGADHM CC(C)CC1(C(=O)Nc2n[n-]c(-c3ccco3)n2)CCC1 ZINC001462926324 937664412 /nfs/dbraw/zinc/66/44/12/937664412.db2.gz VBQPKLLKXOXFRJ-UHFFFAOYSA-N -1 3 288.351 3.220 20 0 CGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C2(C)CC2)c1Cl ZINC001318938153 933799177 /nfs/dbraw/zinc/79/91/77/933799177.db2.gz DDRBHQCFBBBPPH-UHFFFAOYSA-N -1 3 294.203 3.133 20 0 CGADHM CC(C)(C)O[N-]C(=O)[C@@]1(C)CCc2ccccc2C1 ZINC001319688912 933914459 /nfs/dbraw/zinc/91/44/59/933914459.db2.gz NDWXCVRBPCROOA-INIZCTEOSA-N -1 3 261.365 3.028 20 0 CGADHM CC[C@@](C)(CNC(=O)c1ccc(C(C)C)cc1[O-])OC ZINC001468244649 937725839 /nfs/dbraw/zinc/72/58/39/937725839.db2.gz JNCIPRAKALONLM-INIZCTEOSA-N -1 3 279.380 3.061 20 0 CGADHM CCc1ccc(C(=O)N[C@@H]2C[C@H]2c2ccccc2F)c([O-])c1 ZINC001468844183 937732216 /nfs/dbraw/zinc/73/22/16/937732216.db2.gz KHICNSLIMXFIMK-GOEBONIOSA-N -1 3 299.345 3.380 20 0 CGADHM C[C@H]1C[C@H](C(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)C[C@@H](C)C1 ZINC001468309343 937726937 /nfs/dbraw/zinc/72/69/37/937726937.db2.gz BETQUDIDQGERON-URLYPYJESA-N -1 3 287.363 3.279 20 0 CGADHM C[C@H]1CC[C@H]1NC(=O)c1cc2sccc2c([O-])c1 ZINC001322790559 934337497 /nfs/dbraw/zinc/33/74/97/934337497.db2.gz XLZQTCNAYLVTHJ-GZMMTYOYSA-N -1 3 261.346 3.135 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)N1CC[C@H]2CCCC[C@@H]2C1 ZINC001326427968 934979158 /nfs/dbraw/zinc/97/91/58/934979158.db2.gz WLLWOPIGYQGRMV-ZIAGYGMSSA-N -1 3 291.366 3.113 20 0 CGADHM COC(=O)c1cnc(S[C@H]2CCc3c2cccc3F)[n-]1 ZINC001326709650 935000676 /nfs/dbraw/zinc/00/06/76/935000676.db2.gz OMIDUYTZTJXLRM-LBPRGKRZSA-N -1 3 292.335 3.115 20 0 CGADHM CN(CCC(F)(F)F)[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC001326802936 935009514 /nfs/dbraw/zinc/00/95/14/935009514.db2.gz ARVNSJNFEXCDNC-SNVBAGLBSA-N -1 3 295.688 3.350 20 0 CGADHM CC(C)(CF)[N-]C(=O)C(F)(F)c1cccc(Cl)c1 ZINC001330590456 935300988 /nfs/dbraw/zinc/30/09/88/935300988.db2.gz RGHVEMJLNXMVTH-UHFFFAOYSA-N -1 3 279.689 3.296 20 0 CGADHM Nc1ccc(C(=O)N2C[C@@H]3CC[C@H]2c2ccccc23)c([O-])c1 ZINC001330991250 935339430 /nfs/dbraw/zinc/33/94/30/935339430.db2.gz QUQCZWSKYIAWPU-ZBEGNZNMSA-N -1 3 294.354 3.049 20 0 CGADHM CC(C)(Cc1ccc(O)cc1)C(=O)[N-]OC1CCCCC1 ZINC001335902771 936166535 /nfs/dbraw/zinc/16/65/35/936166535.db2.gz APUIPVDTGAWQDR-UHFFFAOYSA-N -1 3 291.391 3.341 20 0 CGADHM O=C(Nc1[nH][n-]c2cc(=O)ccc1-2)C12CCC(CC1)CC2 ZINC001335921437 936167070 /nfs/dbraw/zinc/16/70/70/936167070.db2.gz VEDGTCXIZJEDLO-UHFFFAOYSA-N -1 3 285.347 3.177 20 0 CGADHM Cc1oc(C(C)C)nc1C(=O)[N-]c1cnoc1C(C)C ZINC001337355432 936253140 /nfs/dbraw/zinc/25/31/40/936253140.db2.gz GGBACIWWUQCEKM-UHFFFAOYSA-N -1 3 277.324 3.470 20 0 CGADHM O=C(c1cc2sccc2c([O-])c1)N1CCCSC1 ZINC001337444822 936259756 /nfs/dbraw/zinc/25/97/56/936259756.db2.gz RVUIEAFMVAWUIX-UHFFFAOYSA-N -1 3 279.386 3.144 20 0 CGADHM O=C([N-]c1cc(F)ccn1)c1oc(C2CC2)nc1C(F)F ZINC001337610543 936274457 /nfs/dbraw/zinc/27/44/57/936274457.db2.gz DDCSIQMWPKRCKQ-UHFFFAOYSA-N -1 3 297.236 3.276 20 0 CGADHM O=C([N-]c1ccon1)c1nc(-c2ccccc2)oc1C1CC1 ZINC001337618254 936274718 /nfs/dbraw/zinc/27/47/18/936274718.db2.gz JDMVAPZZVNXLHY-UHFFFAOYSA-N -1 3 295.298 3.459 20 0 CGADHM [O-]c1ccc(CNC[C@H]2CCC3(CCC3)CO2)c(F)c1F ZINC001474708539 937876088 /nfs/dbraw/zinc/87/60/88/937876088.db2.gz LINBAUPIPFQNRS-GFCCVEGCSA-N -1 3 297.345 3.109 20 0 CGADHM Cc1nocc1[N-]C(=O)c1cc2ccnc(Cl)c2s1 ZINC001530857351 938079720 /nfs/dbraw/zinc/07/97/20/938079720.db2.gz PQPUCIRGJJBYEF-UHFFFAOYSA-N -1 3 293.735 3.498 20 0 CGADHM O=C([O-])[C@H]1CN(Cc2cccc(Cl)c2F)C[C@@H]1C1CC1 ZINC001549117730 938155372 /nfs/dbraw/zinc/15/53/72/938155372.db2.gz VPKUWLPXARKGDA-NEPJUHHUSA-N -1 3 297.757 3.022 20 0 CGADHM O=C([O-])[C@H]1CN(Cc2c(F)cccc2Cl)C[C@@H]1C1CC1 ZINC001549118030 938155514 /nfs/dbraw/zinc/15/55/14/938155514.db2.gz XNKQSTRGVXDWRX-MNOVXSKESA-N -1 3 297.757 3.022 20 0 CGADHM Cc1nc([C@@H]2CCCCN2C[C@@H]2C[C@@H]2C(=O)[O-])sc1C ZINC001550703161 938170354 /nfs/dbraw/zinc/17/03/54/938170354.db2.gz NJHVXHPKCGMZFO-AVGNSLFASA-N -1 3 294.420 3.008 20 0 CGADHM COc1cc(C(=O)Nc2c([O-])cccc2Cl)ccc1F ZINC001556784328 938205801 /nfs/dbraw/zinc/20/58/01/938205801.db2.gz RBLUNFCLVTVJFP-UHFFFAOYSA-N -1 3 295.697 3.446 20 0 CGADHM C/C(=C/C(=O)[N-]Oc1ccccc1F)c1ccc(F)cc1 ZINC001558226071 938214214 /nfs/dbraw/zinc/21/42/14/938214214.db2.gz MZMBFKKHUUZYNA-KHPPLWFESA-N -1 3 289.281 3.478 20 0 CGADHM CC(C)c1ccc(C(=O)NC[C@@]2(C)CCCCO2)c([O-])c1 ZINC001558627866 938216624 /nfs/dbraw/zinc/21/66/24/938216624.db2.gz NGSBJGAGVMYXHE-QGZVFWFLSA-N -1 3 291.391 3.205 20 0 CGADHM CC(C)[C@H]1CCC[C@@H](Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000230990704 944626021 /nfs/dbraw/zinc/62/60/21/944626021.db2.gz MRABYQRLVCJOEZ-GXTWGEPZSA-N -1 3 285.395 3.493 20 0 CGADHM CC(C)[C@H]1CCC[C@@H](Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000230990704 944626032 /nfs/dbraw/zinc/62/60/32/944626032.db2.gz MRABYQRLVCJOEZ-GXTWGEPZSA-N -1 3 285.395 3.493 20 0 CGADHM CC(C)[C@@H]1CCC[C@H](Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000230990707 944626802 /nfs/dbraw/zinc/62/68/02/944626802.db2.gz MRABYQRLVCJOEZ-OCCSQVGLSA-N -1 3 285.395 3.493 20 0 CGADHM CC(C)[C@@H]1CCC[C@H](Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000230990707 944626805 /nfs/dbraw/zinc/62/68/05/944626805.db2.gz MRABYQRLVCJOEZ-OCCSQVGLSA-N -1 3 285.395 3.493 20 0 CGADHM O=C([O-])CCCCCN[C@H]1COCc2cccc(Cl)c21 ZINC001595037537 951409312 /nfs/dbraw/zinc/40/93/12/951409312.db2.gz CARZJZPZBLNXLN-ZDUSSCGKSA-N -1 3 297.782 3.146 20 0 CGADHM O=C([O-])[C@H](NCc1ccc2occc2c1)c1ccc(F)cc1 ZINC001594844648 954125975 /nfs/dbraw/zinc/12/59/75/954125975.db2.gz XABYOCRPOIIAJN-MRXNPFEDSA-N -1 3 299.301 3.487 20 0 CGADHM Cc1ccccc1CN[C@@H](C)c1ccccc1OCC(=O)[O-] ZINC000226048671 959869676 /nfs/dbraw/zinc/86/96/76/959869676.db2.gz TYOWMPUIYAPDBN-AWEZNQCLSA-N -1 3 299.370 3.309 20 0 CGADHM Cc1cscc1CNCc1ccsc1C(=O)[O-] ZINC000235817150 960502767 /nfs/dbraw/zinc/50/27/67/960502767.db2.gz WJQWJALBJUIADV-UHFFFAOYSA-N -1 3 267.375 3.106 20 0 CGADHM CSc1ccc([O-])c(C(=O)N[C@H](C)CC(C)C)c1 ZINC001566681919 960983950 /nfs/dbraw/zinc/98/39/50/960983950.db2.gz ZPBJRSACTIUDDD-SNVBAGLBSA-N -1 3 267.394 3.279 20 0 CGADHM Cc1ccc(C(=O)NCCC2Cc3ccccc3C2)c([O-])c1 ZINC001567596049 961368684 /nfs/dbraw/zinc/36/86/84/961368684.db2.gz GAIFGVHTTGMETP-UHFFFAOYSA-N -1 3 295.382 3.236 20 0 CGADHM C=C/C=C\CCNc1nc(C(C)(C)C)ccc1-c1nnn[n-]1 ZINC001573315698 962241383 /nfs/dbraw/zinc/24/13/83/962241383.db2.gz NXCVSQWGGFNSKJ-SREVYHEPSA-N -1 3 298.394 3.103 20 0 CGADHM C=C/C=C\CCNc1nc(C(C)(C)C)ccc1-c1nn[n-]n1 ZINC001573315698 962241403 /nfs/dbraw/zinc/24/14/03/962241403.db2.gz NXCVSQWGGFNSKJ-SREVYHEPSA-N -1 3 298.394 3.103 20 0 CGADHM CC(C)COCSc1cccc(Cl)c1-c1nnn[n-]1 ZINC001574228504 962292332 /nfs/dbraw/zinc/29/23/32/962292332.db2.gz RNFQIBRKSSDING-UHFFFAOYSA-N -1 3 298.799 3.242 20 0 CGADHM CC(C)COCSc1cccc(Cl)c1-c1nn[n-]n1 ZINC001574228504 962292359 /nfs/dbraw/zinc/29/23/59/962292359.db2.gz RNFQIBRKSSDING-UHFFFAOYSA-N -1 3 298.799 3.242 20 0 CGADHM CCc1ccc(C(=O)Nc2cncc3c2CCCC3)c([O-])c1 ZINC001584477773 962929411 /nfs/dbraw/zinc/92/94/11/962929411.db2.gz TWSCPSDPWZGOPC-UHFFFAOYSA-N -1 3 296.370 3.481 20 0 CGADHM Cc1ccc(CNC(=O)c2cc([O-])c3ccccc3c2)o1 ZINC001586110857 963072452 /nfs/dbraw/zinc/07/24/52/963072452.db2.gz FVFAVVQXHNJKKQ-UHFFFAOYSA-N -1 3 281.311 3.377 20 0 CGADHM Cc1nocc1[N-]C(=O)c1nc(-c2ccco2)sc1C ZINC001586345805 963095950 /nfs/dbraw/zinc/09/59/50/963095950.db2.gz WKHOBBPTZVTVJO-UHFFFAOYSA-N -1 3 289.316 3.260 20 0 CGADHM Cc1nocc1[N-]C(=O)c1c(F)cccc1Br ZINC001586345352 963097075 /nfs/dbraw/zinc/09/70/75/963097075.db2.gz IASIZEMQXFQJMD-UHFFFAOYSA-N -1 3 299.099 3.137 20 0 CGADHM Cc1cccc([O-])c1C(=O)N[C@@H](C)CCc1ccccc1 ZINC001587008595 963164322 /nfs/dbraw/zinc/16/43/22/963164322.db2.gz KHTDQNDRCDTWJJ-AWEZNQCLSA-N -1 3 283.371 3.452 20 0 CGADHM CSc1ccncc1[N-]C(=O)c1cc2ncccc2o1 ZINC001587466478 963200633 /nfs/dbraw/zinc/20/06/33/963200633.db2.gz ODWIPMVMSHMWJS-UHFFFAOYSA-N -1 3 285.328 3.197 20 0 CGADHM CCS[C@@H]1CCC[C@H](NC(=O)c2c(C)cccc2[O-])C1 ZINC001587545139 963201609 /nfs/dbraw/zinc/20/16/09/963201609.db2.gz ZSIGLKYVZPSRSW-QWHCGFSZSA-N -1 3 293.432 3.495 20 0 CGADHM CCS[C@H]1CCC[C@H](NC(=O)c2c(C)cccc2[O-])C1 ZINC001587545140 963203026 /nfs/dbraw/zinc/20/30/26/963203026.db2.gz ZSIGLKYVZPSRSW-STQMWFEESA-N -1 3 293.432 3.495 20 0 CGADHM C/C(=C/CN[C@H]1CC2(CCC2)Oc2ccccc21)C(=O)[O-] ZINC001588981898 963338602 /nfs/dbraw/zinc/33/86/02/963338602.db2.gz IDPQZBPPBBKWDR-VDBIKXPHSA-N -1 3 287.359 3.053 20 0 CGADHM C[C@H](N[C@H]1C[C@H](C(=O)[O-])c2ccccc21)c1ccncc1 ZINC001589124408 963343987 /nfs/dbraw/zinc/34/39/87/963343987.db2.gz XEMGOWXAQVPGPH-UVBJJODRSA-N -1 3 282.343 3.045 20 0 CGADHM CCC1(CN[C@H](C)c2ncc(C(=O)[O-])s2)CCCC1 ZINC000315369298 963890178 /nfs/dbraw/zinc/89/01/78/963890178.db2.gz RLTQZWMHHNBNKW-SNVBAGLBSA-N -1 3 282.409 3.462 20 0 CGADHM CC(C)CCSCc1ccc(-c2nnn[n-]2)cc1F ZINC001589609722 964009207 /nfs/dbraw/zinc/00/92/07/964009207.db2.gz KFQONQHGIUVFSA-UHFFFAOYSA-N -1 3 280.372 3.285 20 0 CGADHM CC(C)CCSCc1ccc(-c2nn[n-]n2)cc1F ZINC001589609722 964009213 /nfs/dbraw/zinc/00/92/13/964009213.db2.gz KFQONQHGIUVFSA-UHFFFAOYSA-N -1 3 280.372 3.285 20 0 CGADHM CC1(c2ccccc2)CN(Cc2ccc(C(=O)[O-])cc2)C1 ZINC001603347979 972761285 /nfs/dbraw/zinc/76/12/85/972761285.db2.gz KBQUILDPOJNWOC-UHFFFAOYSA-N -1 3 281.355 3.158 20 0 CGADHM C[C@](CC(=O)[O-])(NCc1ccsc1)c1cccc(F)c1 ZINC001592330443 977766645 /nfs/dbraw/zinc/76/66/45/977766645.db2.gz UCASOPIGTGVJBA-OAHLLOKOSA-N -1 3 293.363 3.367 20 0 CGADHM C[C@@H](N[C@@H](C)COc1ccccc1)c1cc(C(=O)[O-])co1 ZINC001592783188 979421783 /nfs/dbraw/zinc/42/17/83/979421783.db2.gz QVMIIQDRYDBBSV-NWDGAFQWSA-N -1 3 289.331 3.096 20 0 CGADHM CCCSC[C@H](C)NCc1ccc(C(=O)[O-])cc1F ZINC001595987223 983237280 /nfs/dbraw/zinc/23/72/80/983237280.db2.gz WWOGOKCQIWYAOH-JTQLQIEISA-N -1 3 285.384 3.145 20 0 CGADHM CCOc1ccc(Cl)cc1CN1CCC[C@@H]1CC(=O)[O-] ZINC001597106869 986751493 /nfs/dbraw/zinc/75/14/93/986751493.db2.gz WPBLYRPMLOTXQH-CYBMUJFWSA-N -1 3 297.782 3.178 20 0 CGADHM CCc1[nH]c(CNCc2ccc(C)c(F)c2)cc1C(=O)[O-] ZINC001597395064 987645034 /nfs/dbraw/zinc/64/50/34/987645034.db2.gz MJJFWBRSIXKCKN-UHFFFAOYSA-N -1 3 290.338 3.013 20 0 CGADHM C[C@H](c1ncc(C(=O)[O-])s1)N1CCC[C@@H]1C1CCC1 ZINC001593732173 996309315 /nfs/dbraw/zinc/30/93/15/996309315.db2.gz PGYMUORSRSLSHC-MWLCHTKSSA-N -1 3 280.393 3.167 20 0 CGADHM CC1(C)CC[C@@H](CNCc2cc(C(=O)[O-])ccc2Cl)O1 ZINC001593878563 996704490 /nfs/dbraw/zinc/70/44/90/996704490.db2.gz TVWDYZUNWYAXMA-LBPRGKRZSA-N -1 3 297.782 3.085 20 0 CGADHM CC1(C)CN(Cc2csc(C(=O)[O-])c2)[C@H]1C1CC1 ZINC001593945034 996983958 /nfs/dbraw/zinc/98/39/58/996983958.db2.gz MXULHQHTRMESSM-LBPRGKRZSA-N -1 3 265.378 3.067 20 0 CGADHM C[C@@H]1CC[C@](NCc2cccnc2)(C(=O)[O-])c2ccccc21 ZINC001594321454 999235828 /nfs/dbraw/zinc/23/58/28/999235828.db2.gz ROTUPGVPDVEXKP-FZKQIMNGSA-N -1 3 296.370 3.049 20 0 CGADHM CC(C)c1[nH]c(CN2CCS[C@H](C)CC2)cc1C(=O)[O-] ZINC001594423499 999581253 /nfs/dbraw/zinc/58/12/53/999581253.db2.gz YCBHBTCTWOTQIS-LLVKDONJSA-N -1 3 296.436 3.164 20 0 CGADHM CCc1cc(C(=O)N(C)C[C@@H]2CC2(C)C)ccc1[O-] ZINC000621043689 349448887 /nfs/dbraw/zinc/44/88/87/349448887.db2.gz DKNLWSGTERNFTF-ZDUSSCGKSA-N -1 3 261.365 3.073 20 0 CGADHM C[C@@H](NC(=O)c1cccc([O-])c1)c1ccc2c(c1)CCCO2 ZINC000621180225 349466427 /nfs/dbraw/zinc/46/64/27/349466427.db2.gz HBZVFCKFRQUKHZ-GFCCVEGCSA-N -1 3 297.354 3.208 20 0 CGADHM C[C@@H](CNC(=O)c1cc([O-])cc(C(F)(F)F)c1)C1CC1 ZINC000621721625 349565436 /nfs/dbraw/zinc/56/54/36/349565436.db2.gz VZFPTCMIQIGKJG-QMMMGPOBSA-N -1 3 287.281 3.187 20 0 CGADHM CCC[C@@H]1CCCC[C@H]1NC(=O)c1ccc2n[n-]nc2c1 ZINC000590591587 346853291 /nfs/dbraw/zinc/85/32/91/346853291.db2.gz IRWHFLIHLFVAIG-DGCLKSJQSA-N -1 3 286.379 3.047 20 0 CGADHM CN(CCC1CC1)C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621927214 349608702 /nfs/dbraw/zinc/60/87/02/349608702.db2.gz IHLDJQYNQUJPSN-UHFFFAOYSA-N -1 3 287.281 3.283 20 0 CGADHM CC1=CCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)CC1 ZINC000621932146 349609453 /nfs/dbraw/zinc/60/94/53/349609453.db2.gz VSUHOTRGRVRPRV-UHFFFAOYSA-N -1 3 285.265 3.203 20 0 CGADHM COC(=O)c1cnc(SC[C@H]2CCCC(F)(F)C2)[n-]1 ZINC000337779199 214258179 /nfs/dbraw/zinc/25/81/79/214258179.db2.gz ZXNBUXDLNLEWPD-QMMMGPOBSA-N -1 3 290.335 3.114 20 0 CGADHM CCC(CC)N(C(=O)c1cc(=O)c2ccccc2[n-]1)C1CC1 ZINC000590708675 346866369 /nfs/dbraw/zinc/86/63/69/346866369.db2.gz NPHOOVDKGLIISJ-UHFFFAOYSA-N -1 3 298.386 3.321 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CC(C)(c3ccccc3)C2)c1 ZINC000622213111 349652755 /nfs/dbraw/zinc/65/27/55/349652755.db2.gz RPNRSDBXENWCND-UHFFFAOYSA-N -1 3 281.355 3.114 20 0 CGADHM C[C@H]1CSCCN1Cc1cc([O-])cc(C(F)(F)F)c1 ZINC000356109001 300389218 /nfs/dbraw/zinc/38/92/18/300389218.db2.gz KHXGOLXVCNFMHV-VIFPVBQESA-N -1 3 291.338 3.348 20 0 CGADHM Cc1cccc(C(=O)NCc2cnccc2C(C)(C)C)c1[O-] ZINC000622703947 349695085 /nfs/dbraw/zinc/69/50/85/349695085.db2.gz HBZJFPOBEAXISX-UHFFFAOYSA-N -1 3 298.386 3.323 20 0 CGADHM CCc1ccc(NC(=O)Cc2cncc([O-])c2)cc1Cl ZINC000622597634 349688879 /nfs/dbraw/zinc/68/88/79/349688879.db2.gz TUTWSTVVVAWLPF-UHFFFAOYSA-N -1 3 290.750 3.184 20 0 CGADHM CCc1cc(=O)[n-]c(CN(C)[C@@H](C)c2ccc(F)cc2)n1 ZINC000177508639 529564241 /nfs/dbraw/zinc/56/42/41/529564241.db2.gz LTTXSRCHRAQTLG-NSHDSACASA-N -1 3 289.354 3.077 20 0 CGADHM CCc1ccc(C(=O)Nc2ccc(F)cc2OC)c([O-])c1 ZINC000436808889 529610171 /nfs/dbraw/zinc/61/01/71/529610171.db2.gz MJKKIXQXZGCZGU-UHFFFAOYSA-N -1 3 289.306 3.355 20 0 CGADHM CCc1ccc(C(=O)NC(C)(C)c2ccc(C)nc2)c([O-])c1 ZINC000436838235 529602500 /nfs/dbraw/zinc/60/25/00/529602500.db2.gz IYDYVTVXZLKRHF-UHFFFAOYSA-N -1 3 298.386 3.323 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CCC[C@@H]1c1cccnc1 ZINC000623598666 349845172 /nfs/dbraw/zinc/84/51/72/349845172.db2.gz JXJOKPZELIJWCU-CQSZACIVSA-N -1 3 282.343 3.073 20 0 CGADHM CCC(F)(F)CNCc1cccc([O-])c1Br ZINC000623679275 349864809 /nfs/dbraw/zinc/86/48/09/349864809.db2.gz PSCGARQMKZSOST-UHFFFAOYSA-N -1 3 294.139 3.290 20 0 CGADHM CCN(CCSC)Cc1cccc([O-])c1Cl ZINC000592531916 346997329 /nfs/dbraw/zinc/99/73/29/346997329.db2.gz XTCKHNSMAATCQN-UHFFFAOYSA-N -1 3 259.802 3.231 20 0 CGADHM O=C(C=C1CCCCC1)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000592844916 347018544 /nfs/dbraw/zinc/01/85/44/347018544.db2.gz GPBUMJKVJRLJMG-UHFFFAOYSA-N -1 3 281.359 3.328 20 0 CGADHM Cc1ccc2c(CC(=O)Nc3ncccc3[O-])coc2c1C ZINC000022261833 344895007 /nfs/dbraw/zinc/89/50/07/344895007.db2.gz SAOGWMMJHURZAY-UHFFFAOYSA-N -1 3 296.326 3.331 20 0 CGADHM Cc1cc(C(=O)[N-]c2cccc(Cl)c2F)on1 ZINC000026367491 344906058 /nfs/dbraw/zinc/90/60/58/344906058.db2.gz OIYYFDUPYLLIOP-UHFFFAOYSA-N -1 3 254.648 3.028 20 0 CGADHM CCOCc1ccccc1CNC(=O)c1cc(C)ccc1[O-] ZINC000030179883 344922112 /nfs/dbraw/zinc/92/21/12/344922112.db2.gz NDUBJJCTGXBVRE-UHFFFAOYSA-N -1 3 299.370 3.167 20 0 CGADHM O=C(NC[C@H]1CCCc2ccccc21)c1ccccc1[O-] ZINC000030694519 344923581 /nfs/dbraw/zinc/92/35/81/344923581.db2.gz XVOUWSLVICXXPG-CQSZACIVSA-N -1 3 281.355 3.242 20 0 CGADHM CC[C@@H]1C[C@@H](CC(=O)Nc2ccc(C)cc2[O-])CCO1 ZINC000273245837 192086649 /nfs/dbraw/zinc/08/66/49/192086649.db2.gz UILCISAGGFIWNS-QWHCGFSZSA-N -1 3 277.364 3.234 20 0 CGADHM CC(C)[C@@H](C)N(C)Cc1ccc(C(=O)[O-])cc1F ZINC000062752192 345240334 /nfs/dbraw/zinc/24/03/34/345240334.db2.gz LWSFOZVVDAPJHH-SNVBAGLBSA-N -1 3 253.317 3.000 20 0 CGADHM C[C@]1(C(=O)[O-])CCCN(Cc2ccc(Cl)s2)C1 ZINC000062876842 345241100 /nfs/dbraw/zinc/24/11/00/345241100.db2.gz YPCKMYVIVJBPLN-LBPRGKRZSA-N -1 3 273.785 3.088 20 0 CGADHM CCCN(CC)c1ccc(C(=O)Nc2ncccc2[O-])cc1 ZINC000063536107 345248950 /nfs/dbraw/zinc/24/89/50/345248950.db2.gz LXWKDOCGUHTSBU-UHFFFAOYSA-N -1 3 299.374 3.276 20 0 CGADHM CC(C)c1ccc(C(=O)N2C[C@@H](C)OC(C)(C)C2)c([O-])c1 ZINC000068542002 345355493 /nfs/dbraw/zinc/35/54/93/345355493.db2.gz YCCXDEFJVJTCKU-GFCCVEGCSA-N -1 3 291.391 3.155 20 0 CGADHM Cc1ccc(C(=O)Nc2ncccc2[O-])cc1Cl ZINC000103186029 232182367 /nfs/dbraw/zinc/18/23/67/232182367.db2.gz JVZUHZNYJGWHEB-UHFFFAOYSA-N -1 3 262.696 3.001 20 0 CGADHM CCOC[C@@H]1CCN(C(=O)c2ccc(C(C)C)cc2[O-])C1 ZINC000081467818 345709831 /nfs/dbraw/zinc/70/98/31/345709831.db2.gz IOKASWOYFVEPNV-CYBMUJFWSA-N -1 3 291.391 3.014 20 0 CGADHM O=C([O-])[C@H](c1ccccc1)N1CCC(C(F)(F)F)CC1 ZINC000088422651 345761010 /nfs/dbraw/zinc/76/10/10/345761010.db2.gz SSOFSCOSQVVTDB-LBPRGKRZSA-N -1 3 287.281 3.087 20 0 CGADHM CCc1cccc(C(=O)N[C@H](CC)c2ccncc2)c1[O-] ZINC000091735690 345821870 /nfs/dbraw/zinc/82/18/70/345821870.db2.gz ZWWAMGBXOHZBND-OAHLLOKOSA-N -1 3 284.359 3.231 20 0 CGADHM C[C@H]1[C@H](c2ccccc2)CCN1C(=O)c1c([O-])cccc1O ZINC000092124257 345831545 /nfs/dbraw/zinc/83/15/45/345831545.db2.gz VPPVIDVSSGWRBP-GXTWGEPZSA-N -1 3 297.354 3.116 20 0 CGADHM C[C@@H](c1ccc(F)cc1)N1CCC(CC(=O)[O-])CC1 ZINC000093681977 345884369 /nfs/dbraw/zinc/88/43/69/345884369.db2.gz XCNRJHLIGTYEHL-NSHDSACASA-N -1 3 265.328 3.073 20 0 CGADHM Cc1ccc(F)cc1CN1CCC(CCC(=O)[O-])CC1 ZINC000097850438 345909606 /nfs/dbraw/zinc/90/96/06/345909606.db2.gz DSZMJZQUEKHHJG-UHFFFAOYSA-N -1 3 279.355 3.211 20 0 CGADHM Cc1ccc(F)c([N-]S(=O)(=O)c2cccc(F)c2C)c1 ZINC000174652729 232304695 /nfs/dbraw/zinc/30/46/95/232304695.db2.gz OSHUPINPVHXJOE-UHFFFAOYSA-N -1 3 297.326 3.382 20 0 CGADHM C[C@H](c1ccccc1)[C@H](C)NC(=O)c1ccc(O)cc1[O-] ZINC000175547269 232322166 /nfs/dbraw/zinc/32/21/66/232322166.db2.gz ZNISIOJLSBLHAJ-RYUDHWBXSA-N -1 3 285.343 3.020 20 0 CGADHM C[C@H](OCc1ccccc1)C(=O)Nc1cccc([O-])c1F ZINC000129081726 346046851 /nfs/dbraw/zinc/04/68/51/346046851.db2.gz ACHWFDVYBAHHTI-NSHDSACASA-N -1 3 289.306 3.075 20 0 CGADHM CCc1sc(C(=O)NCc2ccc([O-])c(F)c2)cc1C ZINC000132802475 346074001 /nfs/dbraw/zinc/07/40/01/346074001.db2.gz DEYGUHKILRMEOD-UHFFFAOYSA-N -1 3 293.363 3.394 20 0 CGADHM O=[S@@](CCc1ccccc1Cl)c1ccc([O-])cc1 ZINC000177101576 232355489 /nfs/dbraw/zinc/35/54/89/232355489.db2.gz ZVKSQHIRVRXYEE-SFHVURJKSA-N -1 3 280.776 3.396 20 0 CGADHM CC[C@@]1(C)CCN(Cc2c(F)ccc([O-])c2F)C1 ZINC000351689018 219176021 /nfs/dbraw/zinc/17/60/21/219176021.db2.gz WKTXBEYFNSWPNF-AWEZNQCLSA-N -1 3 255.308 3.292 20 0 CGADHM CC[C@H](C)N(CC(=O)[O-])Cc1ccc(C)cc1Cl ZINC000234019591 346330535 /nfs/dbraw/zinc/33/05/35/346330535.db2.gz ZMMCTMQKSMGSJI-NSHDSACASA-N -1 3 269.772 3.334 20 0 CGADHM Cc1cc(C(=O)N[C@H](C)Cc2ccsc2)ccc1[O-] ZINC000227020875 346307784 /nfs/dbraw/zinc/30/77/84/346307784.db2.gz HQCWGDVUXXSFAT-LLVKDONJSA-N -1 3 275.373 3.123 20 0 CGADHM COc1ccc(CN[C@H](C)CCC[C@@H](C)C(=O)[O-])c(F)c1 ZINC000228614338 346314763 /nfs/dbraw/zinc/31/47/63/346314763.db2.gz DIVKWZUSDSYCHT-VXGBXAGGSA-N -1 3 297.370 3.203 20 0 CGADHM C[C@@H]1CCN(Cc2cc(Cl)ccc2F)[C@@H](C(=O)[O-])C1 ZINC000231110772 346322620 /nfs/dbraw/zinc/32/26/20/346322620.db2.gz RNPAMYZOWFZQTI-NOZJJQNGSA-N -1 3 285.746 3.164 20 0 CGADHM C[C@@H]1CC[C@@H](NC(=O)NCc2ccc([O-])c(F)c2)[C@@H](C)C1 ZINC000247390973 346370159 /nfs/dbraw/zinc/37/01/59/346370159.db2.gz QDSWAGCZGDHZMI-UHIISALHSA-N -1 3 294.370 3.155 20 0 CGADHM C[C@H]1CCN(Cc2ccc(C(=O)[O-])cc2F)C[C@H]1C ZINC000253061655 346393113 /nfs/dbraw/zinc/39/31/13/346393113.db2.gz FFHVOOIQAXFCDC-WDEREUQCSA-N -1 3 265.328 3.002 20 0 CGADHM C[C@@H]1CCCN(Cc2ccc(C(=O)[O-])c(F)c2)[C@H]1C ZINC000300119824 346436136 /nfs/dbraw/zinc/43/61/36/346436136.db2.gz IFLGQILJWIPJKJ-MNOVXSKESA-N -1 3 265.328 3.144 20 0 CGADHM C[C@@H]1CCN(Cc2ccc(C(=O)[O-])c(F)c2)C[C@H]1C ZINC000300119435 346436285 /nfs/dbraw/zinc/43/62/85/346436285.db2.gz FIMPPGOQKGMWDV-GHMZBOCLSA-N -1 3 265.328 3.002 20 0 CGADHM CC1(C)[C@H](C(F)(F)F)CCN1Cc1ccoc1C(=O)[O-] ZINC000312777460 346478425 /nfs/dbraw/zinc/47/84/25/346478425.db2.gz CYOMWDCENOJZHC-SECBINFHSA-N -1 3 291.269 3.141 20 0 CGADHM C[C@H](c1ccco1)c1nc(-c2ccc([O-])cc2)no1 ZINC000350585801 346523575 /nfs/dbraw/zinc/52/35/75/346523575.db2.gz ZVUPXGRSFCLVSS-SECBINFHSA-N -1 3 256.261 3.187 20 0 CGADHM CCCc1ccccc1NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000583508662 346679789 /nfs/dbraw/zinc/67/97/89/346679789.db2.gz QHWAYRPVVMPBNI-UHFFFAOYSA-N -1 3 297.358 3.264 20 0 CGADHM CC[C@H](C)CC(=O)Nc1cc(Cl)cc(C(=O)OC)c1[O-] ZINC000588100069 346749744 /nfs/dbraw/zinc/74/97/44/346749744.db2.gz MNXWEAUXPXIKFU-QMMMGPOBSA-N -1 3 299.754 3.207 20 0 CGADHM CC1(CC(=O)N=c2cc(-c3cccnc3)[n-][nH]2)CCCCC1 ZINC000339284067 215065658 /nfs/dbraw/zinc/06/56/58/215065658.db2.gz PPEKIHOZSCOSQO-UHFFFAOYSA-N -1 3 298.390 3.193 20 0 CGADHM C[C@H]1CCC[C@H](CC(=O)N=c2cc(-c3cccnc3)[n-][nH]2)C1 ZINC000339280973 215063692 /nfs/dbraw/zinc/06/36/92/215063692.db2.gz HZKSABIATJTBCM-STQMWFEESA-N -1 3 298.390 3.049 20 0 CGADHM CSCC1(Cc2noc(-c3cccc(C)c3[O-])n2)CC1 ZINC000596608711 347487993 /nfs/dbraw/zinc/48/79/93/347487993.db2.gz JBJOTIHLBWYXDO-UHFFFAOYSA-N -1 3 290.388 3.436 20 0 CGADHM CC[C@@H](NCc1cccc([O-])c1Cl)[C@@H]1CCCO1 ZINC000339326430 215098024 /nfs/dbraw/zinc/09/80/24/215098024.db2.gz XVDOPGLKHWFCCK-YPMHNXCESA-N -1 3 269.772 3.093 20 0 CGADHM COCCSCc1cc([O-])cc(C(F)(F)F)c1 ZINC000603319507 348070423 /nfs/dbraw/zinc/07/04/23/348070423.db2.gz IXSKIPJLBISWFB-UHFFFAOYSA-N -1 3 266.284 3.291 20 0 CGADHM C[C@@H]1c2ccc(F)cc2CCN1C(=O)c1ccccc1[O-] ZINC000606317968 348174409 /nfs/dbraw/zinc/17/44/09/348174409.db2.gz AWUMZQDLRNWVMK-LLVKDONJSA-N -1 3 285.318 3.291 20 0 CGADHM Cc1ccc(C(=O)N[C@@H]2C[C@@]2(C)c2ccccc2)c([O-])c1 ZINC000607598220 348252384 /nfs/dbraw/zinc/25/23/84/348252384.db2.gz NJCXABQXVKCSSO-AEFFLSMTSA-N -1 3 281.355 3.161 20 0 CGADHM C[C@@H](CC(=O)Nc1cc(Cl)ccc1[O-])[C@@H]1CCCO1 ZINC000612754323 348543954 /nfs/dbraw/zinc/54/39/54/348543954.db2.gz IKSVTLUVHMIEQR-ZANVPECISA-N -1 3 283.755 3.189 20 0 CGADHM Cc1ccc(C(C)(C)CC(=O)Nc2ncccc2[O-])cc1 ZINC000358040652 233044335 /nfs/dbraw/zinc/04/43/35/233044335.db2.gz SBXQDULZNHBBBR-UHFFFAOYSA-N -1 3 284.359 3.402 20 0 CGADHM CCOCCNC(=O)c1cc(C(C)C)cc(C(C)C)c1[O-] ZINC000614136619 348651820 /nfs/dbraw/zinc/65/18/20/348651820.db2.gz NHTJUJUJNAMAIG-UHFFFAOYSA-N -1 3 293.407 3.405 20 0 CGADHM CC(C)C(C)(C)C(=O)NCc1ccc([O-])c2ncccc12 ZINC000616022270 348782284 /nfs/dbraw/zinc/78/22/84/348782284.db2.gz DESQWPZVCNUIKC-UHFFFAOYSA-N -1 3 286.375 3.239 20 0 CGADHM C[C@H]1CCC[C@]1(C)C(=O)NCc1ccc([O-])c2ncccc12 ZINC000616024199 348782324 /nfs/dbraw/zinc/78/23/24/348782324.db2.gz ZIWBZYGVXVPJLM-SGTLLEGYSA-N -1 3 298.386 3.383 20 0 CGADHM CSc1ccc([O-])c(C(=O)N2CC(C(C)(C)C)C2)c1 ZINC000616196380 348797166 /nfs/dbraw/zinc/79/71/66/348797166.db2.gz VROIZMUSYLADKB-UHFFFAOYSA-N -1 3 279.405 3.232 20 0 CGADHM O=C(CCC1CCOCC1)Nc1ccc([O-])cc1Cl ZINC000616940847 348884840 /nfs/dbraw/zinc/88/48/40/348884840.db2.gz HOIHIZVHZPXCKG-UHFFFAOYSA-N -1 3 283.755 3.191 20 0 CGADHM O=c1cc(C=Cc2ccc(F)cc2)nc(C2CC2)[n-]1 ZINC000352006999 219286697 /nfs/dbraw/zinc/28/66/97/219286697.db2.gz IWMWIGPSFYCCCX-FPYGCLRLSA-N -1 3 256.280 3.369 20 0 CGADHM O=C(c1ccc2n[n-]nc2c1)N1CC[C@H](C2CCCCC2)C1 ZINC000618182329 349057425 /nfs/dbraw/zinc/05/74/25/349057425.db2.gz FHOVLMSKQHFGIN-AWEZNQCLSA-N -1 3 298.390 3.000 20 0 CGADHM O=C(c1ccc(O)cc1[O-])N1CCCC[C@@H]1CC1CCC1 ZINC000620567530 349384297 /nfs/dbraw/zinc/38/42/97/349384297.db2.gz FITVXZQWRRICHK-CYBMUJFWSA-N -1 3 289.375 3.283 20 0 CGADHM O=C(c1ccc2n[n-]nc2c1)N1CCCC[C@H]1CC1CCC1 ZINC000620573472 349386969 /nfs/dbraw/zinc/38/69/69/349386969.db2.gz LGGVFSJHYXDQKU-AWEZNQCLSA-N -1 3 298.390 3.143 20 0 CGADHM CC[C@@H]1CCC[C@H](C)N1C(=O)c1cccc(OC)c1[O-] ZINC000620575845 349387993 /nfs/dbraw/zinc/38/79/93/349387993.db2.gz JFCZPGGIUYVHSF-NWDGAFQWSA-N -1 3 277.364 3.194 20 0 CGADHM Cc1ccc(C(=O)N2CCC[C@H]2c2cccn2C)c([O-])c1C ZINC000271227610 191014249 /nfs/dbraw/zinc/01/42/49/191014249.db2.gz SBLDWSLXFSXMFS-INIZCTEOSA-N -1 3 298.386 3.325 20 0 CGADHM Cc1cccc([O-])c1C(=O)N[C@@H](C)Cc1ccsc1 ZINC000624519466 350057030 /nfs/dbraw/zinc/05/70/30/350057030.db2.gz HLNOCAPEQMTUEL-NSHDSACASA-N -1 3 275.373 3.123 20 0 CGADHM Cc1ccc(C(=O)N2CCC[C@@H]2c2cccn2C)c([O-])c1C ZINC000271227612 191015490 /nfs/dbraw/zinc/01/54/90/191015490.db2.gz SBLDWSLXFSXMFS-MRXNPFEDSA-N -1 3 298.386 3.325 20 0 CGADHM CCN(Cc1cc([O-])ccc1Cl)C[C@H]1CCCO1 ZINC000625122056 350130648 /nfs/dbraw/zinc/13/06/48/350130648.db2.gz IXEGFSAOPLHGCV-CYBMUJFWSA-N -1 3 269.772 3.047 20 0 CGADHM CC1(C)CN(Cc2cc([O-])ccc2Cl)CCCO1 ZINC000625174002 350136254 /nfs/dbraw/zinc/13/62/54/350136254.db2.gz IJRLSKGPJNDYMN-UHFFFAOYSA-N -1 3 269.772 3.047 20 0 CGADHM COC[C@H](NCc1cc([O-])ccc1Cl)c1ccc(C)o1 ZINC000625319244 350157873 /nfs/dbraw/zinc/15/78/73/350157873.db2.gz PTLMNQYCGFTNNY-AWEZNQCLSA-N -1 3 295.766 3.424 20 0 CGADHM C[C@@H]1CN(Cc2cc([O-])ccc2Cl)[C@@H](C)[C@@H](C)O1 ZINC000625360660 350162806 /nfs/dbraw/zinc/16/28/06/350162806.db2.gz GFYZKJOWIWNMBX-OUAUKWLOSA-N -1 3 269.772 3.043 20 0 CGADHM C[C@@H]1CSCCN(Cc2cc([O-])ccc2Cl)C1 ZINC000625371683 350165033 /nfs/dbraw/zinc/16/50/33/350165033.db2.gz AXTSNNNUIXWQET-JTQLQIEISA-N -1 3 271.813 3.231 20 0 CGADHM CCO[C@@H]1CCN(Cc2cc([O-])ccc2Cl)C[C@@H]1C ZINC000625459585 350175493 /nfs/dbraw/zinc/17/54/93/350175493.db2.gz YKPHCMDFRXKLSY-XHDPSFHLSA-N -1 3 283.799 3.293 20 0 CGADHM CC1(C)CC[C@H](CO)N(Cc2cc([O-])ccc2Cl)C1 ZINC000625579254 350184941 /nfs/dbraw/zinc/18/49/41/350184941.db2.gz AODKRPOYWPBDKX-GFCCVEGCSA-N -1 3 283.799 3.029 20 0 CGADHM Cc1cccc([O-])c1C(=O)NC[C@@H]1CCCCC1(F)F ZINC000627566196 350366495 /nfs/dbraw/zinc/36/64/95/350366495.db2.gz SDVPZRFYJCHBGD-NSHDSACASA-N -1 3 283.318 3.256 20 0 CGADHM Cc1cccc([O-])c1C(=O)NC[C@@H](C)CC(F)(F)F ZINC000627751693 350379670 /nfs/dbraw/zinc/37/96/70/350379670.db2.gz FHOZLUNGZCMIQV-QMMMGPOBSA-N -1 3 275.270 3.019 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CC[C@@H](C2CCCC2)C1 ZINC000627791275 350382732 /nfs/dbraw/zinc/38/27/32/350382732.db2.gz PQZIOHUBXRVRSX-CQSZACIVSA-N -1 3 273.376 3.353 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CC[C@@H]2CCCC[C@@H]21 ZINC000627905680 350383902 /nfs/dbraw/zinc/38/39/02/350383902.db2.gz TXQOIVIYRAYNCF-STQMWFEESA-N -1 3 259.349 3.105 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CCOc2ccccc2[C@@H]1C ZINC000628169637 350421690 /nfs/dbraw/zinc/42/16/90/350421690.db2.gz GWZLRGDXIQBFFI-ZDUSSCGKSA-N -1 3 297.354 3.296 20 0 CGADHM CC(C)Oc1ccc(CN2CCC[C@@H]2C(=O)[O-])cc1Cl ZINC000107276477 186165456 /nfs/dbraw/zinc/16/54/56/186165456.db2.gz YOYPEBSXOBKNDO-CYBMUJFWSA-N -1 3 297.782 3.176 20 0 CGADHM Cc1cc(=O)[n-]c(C(C)(C)NCc2cccc(C)c2C)n1 ZINC000628374373 350519116 /nfs/dbraw/zinc/51/91/16/350519116.db2.gz GQUIRJSXKXEDJR-UHFFFAOYSA-N -1 3 285.391 3.132 20 0 CGADHM Cc1cc(=O)[n-]c(C(C)(C)NCc2cccc(C3CC3)c2)n1 ZINC000628375034 350519884 /nfs/dbraw/zinc/51/98/84/350519884.db2.gz VOPDXWXSCKURRL-UHFFFAOYSA-N -1 3 297.402 3.393 20 0 CGADHM Cc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)S3)c([O-])c1C ZINC000628651762 350585311 /nfs/dbraw/zinc/58/53/11/350585311.db2.gz XDALHZKRQFOATG-OLZOCXBDSA-N -1 3 291.416 3.119 20 0 CGADHM COc1cccc2c1CN(C(=O)c1ccc(C)c(C)c1[O-])C2 ZINC000629112478 350652911 /nfs/dbraw/zinc/65/29/11/350652911.db2.gz BBNPGKICNTXCPM-UHFFFAOYSA-N -1 3 297.354 3.174 20 0 CGADHM CCCCC[C@H]1CCCCN1Cc1cnc(C(=O)[O-])cn1 ZINC000629363262 350678311 /nfs/dbraw/zinc/67/83/11/350678311.db2.gz HCGGWDLXAJAORW-AWEZNQCLSA-N -1 3 291.395 3.110 20 0 CGADHM O=C([O-])c1cnc(C2CCN(CC3=CCCC3)CC2)s1 ZINC000629369297 350680466 /nfs/dbraw/zinc/68/04/66/350680466.db2.gz VQACPJGEAMWCMO-UHFFFAOYSA-N -1 3 292.404 3.131 20 0 CGADHM C[C@@H](C(=O)[O-])N(C)Cc1ccccc1OCc1ccccc1 ZINC000629370589 350680532 /nfs/dbraw/zinc/68/05/32/350680532.db2.gz ZMVCYSDJYZSSGO-AWEZNQCLSA-N -1 3 299.370 3.171 20 0 CGADHM O=C([O-])c1cc(F)ccc1CN1CCCC(F)(F)CC1 ZINC000629368820 350680816 /nfs/dbraw/zinc/68/08/16/350680816.db2.gz XGKVGCHKNBTXHI-UHFFFAOYSA-N -1 3 287.281 3.145 20 0 CGADHM O=C([O-])[C@@H]1CCN(Cc2cc(F)cc(F)c2)[C@H]2CCC[C@@H]21 ZINC000629373591 350682274 /nfs/dbraw/zinc/68/22/74/350682274.db2.gz KCLOQUUQEWJZAF-KFWWJZLASA-N -1 3 295.329 3.040 20 0 CGADHM O=C([O-])[C@@H]1CCN(Cc2cc(F)cc(F)c2)[C@@H]2CCC[C@H]21 ZINC000629373593 350682398 /nfs/dbraw/zinc/68/23/98/350682398.db2.gz KCLOQUUQEWJZAF-RRFJBIMHSA-N -1 3 295.329 3.040 20 0 CGADHM O=C([O-])CC[C@@H]1CCCCN1Cc1cc(O)ccc1Cl ZINC000629490190 350696207 /nfs/dbraw/zinc/69/62/07/350696207.db2.gz KEMBILZNTUGPKI-LBPRGKRZSA-N -1 3 297.782 3.265 20 0 CGADHM C/C=C/C[C@@H]1CCCN(C(=O)c2ccc(OC)cc2[O-])C1 ZINC000629878467 350784097 /nfs/dbraw/zinc/78/40/97/350784097.db2.gz NOQSOPOVTUPJOU-ITDFMYJTSA-N -1 3 289.375 3.219 20 0 CGADHM Cc1cccc([C@@H](C)S(=O)(=O)c2ncc(C(C)C)[n-]2)c1 ZINC000630432652 350839229 /nfs/dbraw/zinc/83/92/29/350839229.db2.gz RUJYDCQZMWKGGU-GFCCVEGCSA-N -1 3 292.404 3.376 20 0 CGADHM Cc1cccc([C@@H](C)S(=O)(=O)c2nc(C(C)C)c[n-]2)c1 ZINC000630432652 350839231 /nfs/dbraw/zinc/83/92/31/350839231.db2.gz RUJYDCQZMWKGGU-GFCCVEGCSA-N -1 3 292.404 3.376 20 0 CGADHM CCc1cnc(CNC[C@H](CC(=O)[O-])C2CCCC2)s1 ZINC000630471289 350846361 /nfs/dbraw/zinc/84/63/61/350846361.db2.gz BYLKOBQZPGMLJA-LBPRGKRZSA-N -1 3 296.436 3.076 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)Sc2nc(C(C)(C)C)c[nH]2)n1 ZINC000631030249 350930699 /nfs/dbraw/zinc/93/06/99/350930699.db2.gz NHYYSYJDXADCCO-SECBINFHSA-N -1 3 292.408 3.365 20 0 CGADHM CSc1cc(C(=O)[N-]c2nnc(C(C)C)s2)co1 ZINC000630800881 350889812 /nfs/dbraw/zinc/88/98/12/350889812.db2.gz MYJODZBZLRVJEM-UHFFFAOYSA-N -1 3 283.378 3.229 20 0 CGADHM Cc1ccc([O-])c(CN[C@H](CF)c2ccc(F)cc2)n1 ZINC000631284578 351015298 /nfs/dbraw/zinc/01/52/98/351015298.db2.gz QPHBYSVAJXHRPE-CYBMUJFWSA-N -1 3 278.302 3.035 20 0 CGADHM CCn1ncc(C(=O)Nc2cc(Cl)cc(C)c2[O-])c1C ZINC000632147696 351172770 /nfs/dbraw/zinc/17/27/70/351172770.db2.gz YLLWVJMXJSLEKX-UHFFFAOYSA-N -1 3 293.754 3.131 20 0 CGADHM CCN(C(=O)c1cc(C)ccc1[O-])[C@@H]1CCOC(C)(C)C1 ZINC000291419552 198016661 /nfs/dbraw/zinc/01/66/61/198016661.db2.gz FYTSBEXKDJWCTG-CYBMUJFWSA-N -1 3 291.391 3.120 20 0 CGADHM CCc1c(=O)n([C@H]2CCSC2)[n-]c1-c1cccc(C)c1 ZINC000634627594 351550699 /nfs/dbraw/zinc/55/06/99/351550699.db2.gz GKRATKFBKZZVTC-UONOGXRCSA-N -1 3 288.416 3.073 20 0 CGADHM Cc1c2occ([O-])c2ccc1OCc1cc(C2CC2)no1 ZINC000634560051 351514888 /nfs/dbraw/zinc/51/48/88/351514888.db2.gz SEOGJOJYJJLRNL-UHFFFAOYSA-N -1 3 285.299 3.015 20 0 CGADHM O=C([N-]OC/C=C/Cl)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000291744998 198078091 /nfs/dbraw/zinc/07/80/91/198078091.db2.gz GNQNSUOWIMCVRE-SCYODADLSA-N -1 3 292.187 3.305 20 0 CGADHM Cc1ccc(NC(=O)[N-]OCCC(F)(F)F)cc1C ZINC000122437498 187032491 /nfs/dbraw/zinc/03/24/91/187032491.db2.gz LAYZSNCUWIVNMU-UHFFFAOYSA-N -1 3 276.258 3.309 20 0 CGADHM Cc1cccc(NC([O-])=NOCCC(F)(F)F)c1C ZINC000122447110 187033011 /nfs/dbraw/zinc/03/30/11/187033011.db2.gz BOUJGLXNNCXJAM-UHFFFAOYSA-N -1 3 276.258 3.309 20 0 CGADHM Cc1cccc(NC(=O)[N-]OCCC(F)(F)F)c1C ZINC000122447110 187033012 /nfs/dbraw/zinc/03/30/12/187033012.db2.gz BOUJGLXNNCXJAM-UHFFFAOYSA-N -1 3 276.258 3.309 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)Nc1cccc(N2CCCC2)c1 ZINC000291953017 198115728 /nfs/dbraw/zinc/11/57/28/198115728.db2.gz VRMUIVJGPCQRIQ-CYBMUJFWSA-N -1 3 291.395 3.386 20 0 CGADHM CCc1cc(C(=O)N[C@H](CC)c2ccncc2)ccc1[O-] ZINC000291965350 198119237 /nfs/dbraw/zinc/11/92/37/198119237.db2.gz PLOAHGCGMKGKPH-OAHLLOKOSA-N -1 3 284.359 3.231 20 0 CGADHM C[C@@H](CCOCc1ccccc1)NC(=O)c1cccc([O-])c1 ZINC000292030337 198139135 /nfs/dbraw/zinc/13/91/35/198139135.db2.gz YEHQCWSHRQRENL-AWEZNQCLSA-N -1 3 299.370 3.117 20 0 CGADHM O=C(c1cc([O-])ccc1Cl)N1C[C@H]2CCCC[C@H]21 ZINC000365766664 234126357 /nfs/dbraw/zinc/12/63/57/234126357.db2.gz WPZSXFDCUJQDKG-NOZJJQNGSA-N -1 3 265.740 3.060 20 0 CGADHM [O-]C(=NOCC1CC1)Nc1cc(Cl)ccc1Cl ZINC000292252302 198218943 /nfs/dbraw/zinc/21/89/43/198218943.db2.gz DNKLAJPROYAVPB-UHFFFAOYSA-N -1 3 275.135 3.457 20 0 CGADHM O=C([N-]OCC1CC1)Nc1cc(Cl)ccc1Cl ZINC000292252302 198218945 /nfs/dbraw/zinc/21/89/45/198218945.db2.gz DNKLAJPROYAVPB-UHFFFAOYSA-N -1 3 275.135 3.457 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)[C@H]1C[C@@H]1c1sccc1C ZINC000292231448 198211182 /nfs/dbraw/zinc/21/11/82/198211182.db2.gz PPDAANCJZBOLIE-DLOVCJGASA-N -1 3 267.394 3.254 20 0 CGADHM Cc1ccc(CCCCC(=O)[N-]OCc2cccnc2)cc1 ZINC000152708632 188037790 /nfs/dbraw/zinc/03/77/90/188037790.db2.gz FBCKWDMDNHDJBB-UHFFFAOYSA-N -1 3 298.386 3.351 20 0 CGADHM CC(=O)[C@@H](C)CCCCC(=O)Nc1ccc(C)cc1[O-] ZINC000153775639 188102428 /nfs/dbraw/zinc/10/24/28/188102428.db2.gz USFRRCFQYSLMFH-LBPRGKRZSA-N -1 3 277.364 3.425 20 0 CGADHM CCCc1nc(C)c(C[N-]c2nc(C(C)C)no2)o1 ZINC000292405483 198276043 /nfs/dbraw/zinc/27/60/43/198276043.db2.gz VHIMCSRJEURGQJ-UHFFFAOYSA-N -1 3 264.329 3.054 20 0 CGADHM CCCOc1cccc(NC([O-])=NO[C@@H]2CCCCO2)c1 ZINC000154685596 188157933 /nfs/dbraw/zinc/15/79/33/188157933.db2.gz KYCBRABHSDRCLO-CQSZACIVSA-N -1 3 294.351 3.055 20 0 CGADHM CCCOc1cccc(NC(=O)[N-]O[C@@H]2CCCCO2)c1 ZINC000154685596 188157935 /nfs/dbraw/zinc/15/79/35/188157935.db2.gz KYCBRABHSDRCLO-CQSZACIVSA-N -1 3 294.351 3.055 20 0 CGADHM Fc1ccc2c(c1)[C@H]([N-]c1nnc(C(F)F)o1)CCO2 ZINC000292435146 198286830 /nfs/dbraw/zinc/28/68/30/198286830.db2.gz GZQPLYDBTMHJDR-MRVPVSSYSA-N -1 3 285.225 3.082 20 0 CGADHM Cc1csc(S[C@@H](C)c2nc(C)cc(=O)[n-]2)n1 ZINC000155889827 188233412 /nfs/dbraw/zinc/23/34/12/188233412.db2.gz CNZMTVODVPTSRC-QMMMGPOBSA-N -1 3 267.379 3.109 20 0 CGADHM CCCCOc1ccccc1NC([O-])=NOCC1CC1 ZINC000292566756 198334562 /nfs/dbraw/zinc/33/45/62/198334562.db2.gz ILPQWLNFPHQDGO-UHFFFAOYSA-N -1 3 278.352 3.329 20 0 CGADHM CCCCOc1ccccc1NC(=O)[N-]OCC1CC1 ZINC000292566756 198334564 /nfs/dbraw/zinc/33/45/64/198334564.db2.gz ILPQWLNFPHQDGO-UHFFFAOYSA-N -1 3 278.352 3.329 20 0 CGADHM COc1ccc(C)cc1[C@H](C)[N-]c1nnc(C(F)F)o1 ZINC000292614680 198352252 /nfs/dbraw/zinc/35/22/52/198352252.db2.gz XADNNGPNOYRMBX-QMMMGPOBSA-N -1 3 283.278 3.497 20 0 CGADHM Cc1ccc([O-])c(CNc2ccccc2OCCF)n1 ZINC000295177875 199389090 /nfs/dbraw/zinc/38/90/90/199389090.db2.gz VGKQMUFSBRSFMA-UHFFFAOYSA-N -1 3 276.311 3.056 20 0 CGADHM Cc1nc2ccc(NC(=O)[N-]OCC(C)C)cc2s1 ZINC000158280998 188367537 /nfs/dbraw/zinc/36/75/37/188367537.db2.gz DCEMGXLQXVIVNR-UHFFFAOYSA-N -1 3 279.365 3.314 20 0 CGADHM CC(C)c1ccc(C(=O)N(C(C)C)[C@H]2CCOC2)c([O-])c1 ZINC000292667813 198368611 /nfs/dbraw/zinc/36/86/11/198368611.db2.gz CFCXGCIKMPDXMQ-AWEZNQCLSA-N -1 3 291.391 3.155 20 0 CGADHM Cc1ccc([O-])c(CNc2cnccc2OC(C)(C)C)n1 ZINC000158455966 188376951 /nfs/dbraw/zinc/37/69/51/188376951.db2.gz HRFDTSFJZUUUFK-UHFFFAOYSA-N -1 3 287.363 3.280 20 0 CGADHM COc1cccc(F)c1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000340304013 215530497 /nfs/dbraw/zinc/53/04/97/215530497.db2.gz YQDFIVDTVGJFGX-UHFFFAOYSA-N -1 3 295.697 3.446 20 0 CGADHM [O-]C(=NOC1CCCC1)Nc1cccc(-c2ncco2)c1 ZINC000271770296 191317488 /nfs/dbraw/zinc/31/74/88/191317488.db2.gz DBDRSSRWDJYZNS-UHFFFAOYSA-N -1 3 287.319 3.337 20 0 CGADHM O=C([N-]OC1CCCC1)Nc1cccc(-c2ncco2)c1 ZINC000271770296 191317491 /nfs/dbraw/zinc/31/74/91/191317491.db2.gz DBDRSSRWDJYZNS-UHFFFAOYSA-N -1 3 287.319 3.337 20 0 CGADHM O=S(=O)(CCC1=CCCCC1)c1cccc([O-])c1 ZINC000414223471 235367906 /nfs/dbraw/zinc/36/79/06/235367906.db2.gz OUXWVAAEEYGBPK-UHFFFAOYSA-N -1 3 266.362 3.056 20 0 CGADHM CCON=C([O-])Nc1ncc(C2CCCCC2)s1 ZINC000273643768 192243701 /nfs/dbraw/zinc/24/37/01/192243701.db2.gz VNVYIUBKAQUMPH-UHFFFAOYSA-N -1 3 269.370 3.264 20 0 CGADHM CCO[N-]C(=O)Nc1ncc(C2CCCCC2)s1 ZINC000273643768 192243704 /nfs/dbraw/zinc/24/37/04/192243704.db2.gz VNVYIUBKAQUMPH-UHFFFAOYSA-N -1 3 269.370 3.264 20 0 CGADHM O=C(c1ccccc1[O-])N1CCC[C@@H]1c1ccccc1 ZINC000123718815 138369289 /nfs/dbraw/zinc/36/92/89/138369289.db2.gz RAUWNJKCHPMOPH-OAHLLOKOSA-N -1 3 267.328 3.370 20 0 CGADHM COc1cccc(SCC(=O)Nc2ccccc2[O-])c1 ZINC000127495792 138389396 /nfs/dbraw/zinc/38/93/96/138389396.db2.gz BYHATAHVTDYJTJ-UHFFFAOYSA-N -1 3 289.356 3.132 20 0 CGADHM CC(C)=CCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000480702369 535356506 /nfs/dbraw/zinc/35/65/06/535356506.db2.gz VUKIQSJFEXFNCN-UHFFFAOYSA-N -1 3 279.814 3.036 20 0 CGADHM O=C(N[C@H]1CCCCC12CCCC2)c1csc(=O)[n-]1 ZINC000336278075 213116942 /nfs/dbraw/zinc/11/69/42/213116942.db2.gz KLUWTTIRUKITCR-NSHDSACASA-N -1 3 280.393 3.082 20 0 CGADHM CC(C)(C)n1cc(/C=C/c2ccc3cccc([O-])c3n2)nn1 ZINC000191237625 138469858 /nfs/dbraw/zinc/46/98/58/138469858.db2.gz NMUPAORGCARXLJ-MDZDMXLPSA-N -1 3 294.358 3.457 20 0 CGADHM [O-]c1cccc(CN2CCC3(C2)CCOCC3)c1Cl ZINC000294449067 199044257 /nfs/dbraw/zinc/04/42/57/199044257.db2.gz YEDSNGMNRJQBEN-UHFFFAOYSA-N -1 3 281.783 3.048 20 0 CGADHM O=C(NC[C@H](c1ccccc1)C1CC1)c1cccc([O-])c1 ZINC000294474788 199053564 /nfs/dbraw/zinc/05/35/64/199053564.db2.gz IXIZGHXYMGLRCX-QGZVFWFLSA-N -1 3 281.355 3.316 20 0 CGADHM O=C([O-])c1ccc(CNCc2cc(F)cc(Cl)c2)cc1 ZINC000426693177 236306982 /nfs/dbraw/zinc/30/69/82/236306982.db2.gz XYUFCKZDRUCHQK-UHFFFAOYSA-N -1 3 293.725 3.467 20 0 CGADHM O=C([O-])[C@H](NC/C=C\c1ccc(F)cc1)c1cccs1 ZINC000426790346 236315031 /nfs/dbraw/zinc/31/50/31/236315031.db2.gz CUFOTNPALXVKJY-NPPUXFBVSA-N -1 3 291.347 3.316 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)CSC(F)F)c1[O-] ZINC000294753356 199166672 /nfs/dbraw/zinc/16/66/72/199166672.db2.gz AQQUCVVXWLDHSR-UHFFFAOYSA-N -1 3 281.711 3.248 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CCc3cccc(C)c3C2)c1 ZINC000429217851 236474206 /nfs/dbraw/zinc/47/42/06/236474206.db2.gz AZXLWDSGFPCZKE-UHFFFAOYSA-N -1 3 281.355 3.208 20 0 CGADHM O=C(CC1CC(F)(F)C1)Nc1ccc(Cl)cc1[O-] ZINC000336201856 213021350 /nfs/dbraw/zinc/02/13/50/213021350.db2.gz GULGSLLKZWQAIB-UHFFFAOYSA-N -1 3 275.682 3.420 20 0 CGADHM O=C([O-])c1ccc(CN[C@@H]2CCCOc3ccccc32)cc1 ZINC000263449229 295990251 /nfs/dbraw/zinc/99/02/51/295990251.db2.gz ZAMZJGXDOWXMCR-MRXNPFEDSA-N -1 3 297.354 3.388 20 0 CGADHM Cc1ccc(C(=O)Nc2ccc(C)c3c[nH]nc32)c([O-])c1 ZINC000436531987 237124258 /nfs/dbraw/zinc/12/42/58/237124258.db2.gz JCVDLLHUWWBNNL-UHFFFAOYSA-N -1 3 281.315 3.138 20 0 CGADHM COC(C)(C)C[C@H](C)NC(=O)c1ccc(C(C)C)cc1[O-] ZINC000436587399 237137934 /nfs/dbraw/zinc/13/79/34/237137934.db2.gz DXLJQUATVQIQBP-LBPRGKRZSA-N -1 3 293.407 3.449 20 0 CGADHM CCC(CC)[C@H](C)C(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000341543897 216008647 /nfs/dbraw/zinc/00/86/47/216008647.db2.gz AORLNXZIJJQKFB-VIFPVBQESA-N -1 3 276.340 3.076 20 0 CGADHM CCC(CC)[C@H](C)C(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000341543897 216008651 /nfs/dbraw/zinc/00/86/51/216008651.db2.gz AORLNXZIJJQKFB-VIFPVBQESA-N -1 3 276.340 3.076 20 0 CGADHM CCC(CC)[C@H](C)C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000341543897 216008652 /nfs/dbraw/zinc/00/86/52/216008652.db2.gz AORLNXZIJJQKFB-VIFPVBQESA-N -1 3 276.340 3.076 20 0 CGADHM Cc1ccc(C(=O)N(C)Cc2cccc3[nH]ccc32)c([O-])c1 ZINC000436816202 237186178 /nfs/dbraw/zinc/18/61/78/237186178.db2.gz NGAQIEGCOLFFOR-UHFFFAOYSA-N -1 3 294.354 3.454 20 0 CGADHM Cc1cc(C(=O)Nc2cnn([C@@H](C)C3CC3)c2)ccc1[O-] ZINC000436823135 237186920 /nfs/dbraw/zinc/18/69/20/237186920.db2.gz ZLFCZJCGWXMZIZ-NSHDSACASA-N -1 3 285.347 3.120 20 0 CGADHM O=C(NCC1CC(F)(F)C1)c1ccc2c(c1[O-])CCCC2 ZINC000436809534 237186948 /nfs/dbraw/zinc/18/69/48/237186948.db2.gz UFOAACJGTCAHGQ-UHFFFAOYSA-N -1 3 295.329 3.046 20 0 CGADHM Cc1ccc(/C=C\c2nc(-c3ccc([O-])cc3)no2)nc1 ZINC000436823607 237187238 /nfs/dbraw/zinc/18/72/38/237187238.db2.gz BWASSQLLFIZHLK-TWGQIWQCSA-N -1 3 279.299 3.316 20 0 CGADHM Cc1ccc(C(=O)NC[C@H]2CCCCS2)c([O-])c1C ZINC000436828893 237190536 /nfs/dbraw/zinc/19/05/36/237190536.db2.gz JSMBIWHQFLWNBJ-GFCCVEGCSA-N -1 3 279.405 3.025 20 0 CGADHM Cc1ccc(C(=O)NCCCc2cccc(F)c2)c([O-])c1 ZINC000436744108 237168839 /nfs/dbraw/zinc/16/88/39/237168839.db2.gz JIWWWFSUPUQEMW-UHFFFAOYSA-N -1 3 287.334 3.202 20 0 CGADHM COc1cccc([C@H](C)NC(=O)c2cccc(C)c2[O-])c1 ZINC000436759127 237173717 /nfs/dbraw/zinc/17/37/17/237173717.db2.gz SVODFDJRGULNDI-LBPRGKRZSA-N -1 3 285.343 3.200 20 0 CGADHM Cc1cc(C(=O)N2CC[C@H](C)C3(CCC3)C2)ccc1[O-] ZINC000436941062 237219142 /nfs/dbraw/zinc/21/91/42/237219142.db2.gz ZVLWVQYCVZFCAF-ZDUSSCGKSA-N -1 3 273.376 3.353 20 0 CGADHM Cc1cc(C(=O)N(C)[C@@H](C)Cc2ccc(O)cc2)ccc1[O-] ZINC000436938761 237219309 /nfs/dbraw/zinc/21/93/09/237219309.db2.gz MPLLSVXTQBYGGU-ZDUSSCGKSA-N -1 3 299.370 3.109 20 0 CGADHM Cc1ccc(C(=O)NC2CCC3(CC3)CC2)c([O-])c1 ZINC000437001051 237230981 /nfs/dbraw/zinc/23/09/81/237230981.db2.gz JQIFHNQINZDRTH-UHFFFAOYSA-N -1 3 259.349 3.153 20 0 CGADHM CC(C)O[N-]C(=O)CC[C@H](O)c1ccc(C(C)(C)C)cc1 ZINC000297136153 200094715 /nfs/dbraw/zinc/09/47/15/200094715.db2.gz HXUXKPBITVWVAV-HNNXBMFYSA-N -1 3 293.407 3.254 20 0 CGADHM CC(C)O[N-]C(=O)/C=C/Sc1cc(F)ccc1F ZINC000297265927 200130865 /nfs/dbraw/zinc/13/08/65/200130865.db2.gz RRCOZNJBJORQSQ-AATRIKPKSA-N -1 3 273.304 3.027 20 0 CGADHM CC[C@@H](C)CON=C([O-])Nc1ncsc1C(C)C ZINC000297190966 200110093 /nfs/dbraw/zinc/11/00/93/200110093.db2.gz XAURSAZWQLNLCO-SECBINFHSA-N -1 3 271.386 3.366 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)Nc1ncsc1C(C)C ZINC000297190966 200110094 /nfs/dbraw/zinc/11/00/94/200110094.db2.gz XAURSAZWQLNLCO-SECBINFHSA-N -1 3 271.386 3.366 20 0 CGADHM CCSc1cccc(F)c1NC([O-])=NOC(C)C ZINC000297445725 200192888 /nfs/dbraw/zinc/19/28/88/200192888.db2.gz QAIKOUMBPGWCKX-UHFFFAOYSA-N -1 3 272.345 3.399 20 0 CGADHM CCSc1cccc(F)c1NC(=O)[N-]OC(C)C ZINC000297445725 200192890 /nfs/dbraw/zinc/19/28/90/200192890.db2.gz QAIKOUMBPGWCKX-UHFFFAOYSA-N -1 3 272.345 3.399 20 0 CGADHM CC(=O)c1ccsc1[N-]C(=O)c1ocnc1C1CC1 ZINC000297763219 200277053 /nfs/dbraw/zinc/27/70/53/200277053.db2.gz IADWAQOHWOHHFI-UHFFFAOYSA-N -1 3 276.317 3.068 20 0 CGADHM O=C([N-]OCC1CC1)Nc1ccc(C2CCC2)cc1 ZINC000298262687 200374994 /nfs/dbraw/zinc/37/49/94/200374994.db2.gz ACPAJYAWWQSCKQ-UHFFFAOYSA-N -1 3 260.337 3.417 20 0 CGADHM COc1ccc(C(=O)N([C@@H](C)C(C)C)C2CC2)c([O-])c1 ZINC000298275628 200379903 /nfs/dbraw/zinc/37/99/03/200379903.db2.gz DFEXBUQZZLITEZ-NSHDSACASA-N -1 3 277.364 3.050 20 0 CGADHM Cc1ccc(C(=O)N([C@H](C)C(C)C)C2CC2)c([O-])c1 ZINC000298277412 200380486 /nfs/dbraw/zinc/38/04/86/200380486.db2.gz DQHXAIGIRMRUCV-GFCCVEGCSA-N -1 3 261.365 3.350 20 0 CGADHM CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)Nc1ncccc1[O-] ZINC000341890813 216139218 /nfs/dbraw/zinc/13/92/18/216139218.db2.gz QUYMIAJCPJGPBP-OBJOEFQTSA-N -1 3 292.379 3.100 20 0 CGADHM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)Nc1ncccc1[O-] ZINC000341890815 216139798 /nfs/dbraw/zinc/13/97/98/216139798.db2.gz QUYMIAJCPJGPBP-SCRDCRAPSA-N -1 3 292.379 3.100 20 0 CGADHM Cc1cccc([C@H](C)NC(=O)c2ccc(O)cc2[O-])c1C ZINC000439060827 238225269 /nfs/dbraw/zinc/22/52/69/238225269.db2.gz QHWHCBFIDFFUHY-LBPRGKRZSA-N -1 3 285.343 3.206 20 0 CGADHM Cc1ccc(C[N-]c2nnc([C@@H]3Cc4ccccc4O3)o2)o1 ZINC000181956714 189310885 /nfs/dbraw/zinc/31/08/85/189310885.db2.gz RUYKYYRIEKUHMM-AWEZNQCLSA-N -1 3 297.314 3.259 20 0 CGADHM CC[C@@H]([N-]c1nc(C(C)C)no1)c1c(C)noc1C ZINC000301841420 201227413 /nfs/dbraw/zinc/22/74/13/201227413.db2.gz YUXYXYWAGLTCDY-SNVBAGLBSA-N -1 3 264.329 3.361 20 0 CGADHM C[C@H](NC(=O)c1ccc2c(c1[O-])CCCC2)c1cccnc1 ZINC000184913125 189398581 /nfs/dbraw/zinc/39/85/81/189398581.db2.gz HQRQJPAQVALBOZ-LBPRGKRZSA-N -1 3 296.370 3.157 20 0 CGADHM CN(Cc1nc(=O)c2sccc2[n-]1)[C@@H]1CCC(C)(C)C1 ZINC000335707285 212432072 /nfs/dbraw/zinc/43/20/72/212432072.db2.gz XDBPVCMNQLKRLW-SNVBAGLBSA-N -1 3 291.420 3.407 20 0 CGADHM CC[C@H]([N-]S(=O)(=O)c1cccc2ccccc21)C(F)F ZINC000451081957 240214999 /nfs/dbraw/zinc/21/49/99/240214999.db2.gz NHUXHVBLUCWINF-LBPRGKRZSA-N -1 3 299.342 3.162 20 0 CGADHM Cc1ccc(NC(=O)[C@@H]2CCC(=O)[C@H](C)C2(C)C)c([O-])c1 ZINC000275395332 193020149 /nfs/dbraw/zinc/02/01/49/193020149.db2.gz AJIJLDLHXYHKEH-RYUDHWBXSA-N -1 3 289.375 3.281 20 0 CGADHM Cc1cc(-c2nc(-c3ccc([O-])cc3)no2)nn1C(C)C ZINC000453018031 240666024 /nfs/dbraw/zinc/66/60/24/240666024.db2.gz JMCOZHVPUBVBCL-UHFFFAOYSA-N -1 3 284.319 3.195 20 0 CGADHM CCCC[C@@H](C)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000275708190 193110323 /nfs/dbraw/zinc/11/03/23/193110323.db2.gz RFDDAOBNIXZERD-SNVBAGLBSA-N -1 3 279.409 3.407 20 0 CGADHM CC[C@H]1CCC[C@H]1CNC(=O)NCc1ccc([O-])c(F)c1 ZINC000455269626 241226518 /nfs/dbraw/zinc/22/65/18/241226518.db2.gz GRWWRXZUYZJOIV-STQMWFEESA-N -1 3 294.370 3.157 20 0 CGADHM O=C(COCC1CCCC1)Nc1cc(Cl)ccc1[O-] ZINC000455987978 241340561 /nfs/dbraw/zinc/34/05/61/241340561.db2.gz FREZVAORXHPARL-UHFFFAOYSA-N -1 3 283.755 3.191 20 0 CGADHM O=C(c1cc([O-])ccc1Cl)N1C[C@@H](C2CC2)[C@@H]1C1CC1 ZINC000456259487 241385949 /nfs/dbraw/zinc/38/59/49/241385949.db2.gz RKEPTBCQRRVUCX-ZFWWWQNUSA-N -1 3 291.778 3.306 20 0 CGADHM CCc1cc(=O)[n-]c(CN2C[C@H](c3ccccc3)C[C@@H]2C)n1 ZINC000121097651 370828838 /nfs/dbraw/zinc/82/88/38/370828838.db2.gz OXEIRTFTENEKQP-DZGCQCFKSA-N -1 3 297.402 3.123 20 0 CGADHM CCOc1cc(CN(C)C[C@H]2CCCO2)cc(Cl)c1[O-] ZINC000459321295 242071775 /nfs/dbraw/zinc/07/17/75/242071775.db2.gz ZWGHKZJIBLOYFX-GFCCVEGCSA-N -1 3 299.798 3.055 20 0 CGADHM CCN(Cc1cc(=O)[n-]c(C2CC2)n1)c1ccccc1 ZINC000459345000 242082811 /nfs/dbraw/zinc/08/28/11/242082811.db2.gz CENWALWOYDXJTJ-UHFFFAOYSA-N -1 3 269.348 3.086 20 0 CGADHM [O-]c1cccc(CN2CC(C3CCC3)C2)c1Br ZINC000459539340 242126318 /nfs/dbraw/zinc/12/63/18/242126318.db2.gz GHCYERFPXCNWPT-UHFFFAOYSA-N -1 3 296.208 3.387 20 0 CGADHM O=C([O-])[C@@]12CCC[C@H]1CN(Cc1cc(F)ccc1Cl)C2 ZINC000335538842 212236359 /nfs/dbraw/zinc/23/63/59/212236359.db2.gz MUJFSRDVXWUZQO-XHDPSFHLSA-N -1 3 297.757 3.166 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2C[C@H](C)C[C@H](C)[C@@H]2C)c1 ZINC000476543632 243016177 /nfs/dbraw/zinc/01/61/77/243016177.db2.gz LGTIVENIRUYXOP-AGIUHOORSA-N -1 3 275.392 3.461 20 0 CGADHM O=C([O-])[C@H]1CCCCN1Cc1cccc(C(F)(F)F)c1 ZINC000003754729 368519763 /nfs/dbraw/zinc/51/97/63/368519763.db2.gz PGVFLZUSZRYAJB-GFCCVEGCSA-N -1 3 287.281 3.145 20 0 CGADHM CC(C)N(Cc1ccccc1)C(=O)c1cccc([O-])c1 ZINC000019838906 368770369 /nfs/dbraw/zinc/77/03/69/368770369.db2.gz UBVMAVQFUMVVRB-UHFFFAOYSA-N -1 3 269.344 3.443 20 0 CGADHM CCC[C@H](C)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000030269791 368902287 /nfs/dbraw/zinc/90/22/87/368902287.db2.gz KPQSREHUKAWVPA-VIFPVBQESA-N -1 3 265.382 3.017 20 0 CGADHM Cc1cccc([O-])c1NC(=O)/C=C\c1ccnc(Cl)c1 ZINC000492443418 243951025 /nfs/dbraw/zinc/95/10/25/243951025.db2.gz QCBQMLQZZKNYCL-WAYWQWQTSA-N -1 3 288.734 3.401 20 0 CGADHM O=C(/C=C\c1ccc[nH]1)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000492801009 244027248 /nfs/dbraw/zinc/02/72/48/244027248.db2.gz BAHJYCYBCCPGIW-XQRVVYSFSA-N -1 3 296.248 3.391 20 0 CGADHM O=C(/C=C/c1cccc2ccccc12)[N-]OC1CCOCC1 ZINC000492674425 244005597 /nfs/dbraw/zinc/00/55/97/244005597.db2.gz FNOSFBGSZGAIHB-CMDGGOBGSA-N -1 3 297.354 3.080 20 0 CGADHM Cc1cncc(/C=C\C(=O)Nc2c([O-])cccc2Cl)c1 ZINC000493010711 244075169 /nfs/dbraw/zinc/07/51/69/244075169.db2.gz YXKMPJKVVJOGQM-WAYWQWQTSA-N -1 3 288.734 3.401 20 0 CGADHM O=C(/C=C/c1ccc(Cl)s1)[N-]OC1CCC1 ZINC000493032641 244081550 /nfs/dbraw/zinc/08/15/50/244081550.db2.gz ZOTYOEPQAUQGIJ-FNORWQNLSA-N -1 3 257.742 3.015 20 0 CGADHM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1c(F)cccc1F ZINC000227228982 304148189 /nfs/dbraw/zinc/14/81/89/304148189.db2.gz SPECHMCNBPBYMB-ONERCXAPSA-N -1 3 295.329 3.183 20 0 CGADHM Cc1ccc(C(=O)N(C)Cc2ccc(F)cc2)c([O-])c1 ZINC000042252943 369206902 /nfs/dbraw/zinc/20/69/02/369206902.db2.gz HTZAQJPZDBYEQM-UHFFFAOYSA-N -1 3 273.307 3.112 20 0 CGADHM O=C([O-])[C@H](NCc1ccccc1)c1ccc(Cl)c(F)c1 ZINC000043390993 369251383 /nfs/dbraw/zinc/25/13/83/369251383.db2.gz BWFLOQVKMIXXCE-CQSZACIVSA-N -1 3 293.725 3.395 20 0 CGADHM Cc1cccc(S(=O)(=O)[N-]c2cc(F)ccc2F)c1 ZINC000047367549 369313374 /nfs/dbraw/zinc/31/33/74/369313374.db2.gz HXLZAAYUGQKXGX-UHFFFAOYSA-N -1 3 283.299 3.074 20 0 CGADHM O=C([O-])CC[C@H]1CCCCN1Cc1ccccc1F ZINC000050924996 369444882 /nfs/dbraw/zinc/44/48/82/369444882.db2.gz JMQUSYNADFVCMN-CYBMUJFWSA-N -1 3 265.328 3.045 20 0 CGADHM COc1cc(C(=O)N(C)[C@@H]2CCC[C@H](C)C2)ccc1[O-] ZINC000276208346 193243589 /nfs/dbraw/zinc/24/35/89/193243589.db2.gz WCAMLUGQCOSXCV-WCQYABFASA-N -1 3 277.364 3.052 20 0 CGADHM O=C([N-]OC1CCCC1)C1(Cc2ccc(F)cc2)CC1 ZINC000276268820 193264196 /nfs/dbraw/zinc/26/41/96/193264196.db2.gz QMPAFNGRNRHZPQ-UHFFFAOYSA-N -1 3 277.339 3.139 20 0 CGADHM C[C@H]1CCC[C@@H](CCNC(=O)c2cccc([O-])c2)C1 ZINC000070540686 369804286 /nfs/dbraw/zinc/80/42/86/369804286.db2.gz PNNVNUFIIZKRGW-STQMWFEESA-N -1 3 261.365 3.338 20 0 CGADHM C[C@@H](c1cccc(F)c1)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000086809461 370021735 /nfs/dbraw/zinc/02/17/35/370021735.db2.gz HTKNKHFGHOQHRQ-QWHCGFSZSA-N -1 3 279.355 3.464 20 0 CGADHM Cc1cc(C(=O)[N-]c2scnc2-c2ccccc2)on1 ZINC000102725609 370309518 /nfs/dbraw/zinc/30/95/18/370309518.db2.gz WKWCLPPCQHHHDV-UHFFFAOYSA-N -1 3 285.328 3.359 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)c2cccnc2)c1[O-] ZINC000116980151 370576297 /nfs/dbraw/zinc/57/62/97/370576297.db2.gz DNKAMJILRNIEAL-UHFFFAOYSA-N -1 3 262.696 3.001 20 0 CGADHM COc1ccc([O-])c(C(=O)N2CCCC[C@H]2C(C)C)c1 ZINC000117196540 370582493 /nfs/dbraw/zinc/58/24/93/370582493.db2.gz PBRHOCLPADMEFF-AWEZNQCLSA-N -1 3 277.364 3.052 20 0 CGADHM O=C(c1c([O-])cccc1O)N1CC2(CCC2)c2ccccc21 ZINC000336586284 296163509 /nfs/dbraw/zinc/16/35/09/296163509.db2.gz VMANXDIEHNKYDW-UHFFFAOYSA-N -1 3 295.338 3.180 20 0 CGADHM COc1cccc(C(=O)N2CCC[C@H]2CC(C)C)c1[O-] ZINC000133240438 371238510 /nfs/dbraw/zinc/23/85/10/371238510.db2.gz MRQAUWPVYMWUHI-LBPRGKRZSA-N -1 3 277.364 3.052 20 0 CGADHM C[C@@H](CS(=O)(=O)[N-]c1ccccc1F)c1ccccc1 ZINC000133390262 371247776 /nfs/dbraw/zinc/24/77/76/371247776.db2.gz LYSPDWUTLCOYIP-LBPRGKRZSA-N -1 3 293.363 3.371 20 0 CGADHM Cc1onc(-c2ccccn2)c1C(=O)Nc1ccccc1[O-] ZINC000134224925 371313440 /nfs/dbraw/zinc/31/34/40/371313440.db2.gz BFNCIVXEGBHUQP-UHFFFAOYSA-N -1 3 295.298 3.003 20 0 CGADHM CC[C@@H]1CCCCCN1C(=O)c1cc(C)ccc1[O-] ZINC000134719966 371359485 /nfs/dbraw/zinc/35/94/85/371359485.db2.gz NPWRDTHAHKZZHM-CYBMUJFWSA-N -1 3 261.365 3.495 20 0 CGADHM CC[C@@]1(C)C[C@H]1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000136306372 371472724 /nfs/dbraw/zinc/47/27/24/371472724.db2.gz WGCZLVQAMIUBMU-ZANVPECISA-N -1 3 253.729 3.420 20 0 CGADHM Cc1ccc(C(=O)N2C[C@H](C)CCC[C@@H]2C)c([O-])c1 ZINC000150773262 371537574 /nfs/dbraw/zinc/53/75/74/371537574.db2.gz GLYBHCRDDHUEBA-OLZOCXBDSA-N -1 3 261.365 3.351 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2C[C@H](C)CCC[C@@H]2C)c1 ZINC000150784367 371538157 /nfs/dbraw/zinc/53/81/57/371538157.db2.gz CIKXOOHBFKGPEM-OLZOCXBDSA-N -1 3 261.365 3.351 20 0 CGADHM CC[C@@H]1CN(C(=O)c2ccc(C)c(C)c2[O-])C[C@H](CC)O1 ZINC000421973298 371716880 /nfs/dbraw/zinc/71/68/80/371716880.db2.gz KZIUFYPUYGCDFA-OKILXGFUSA-N -1 3 291.391 3.039 20 0 CGADHM CC(C)(C)SCCNC(=O)c1cc([O-])ccc1Cl ZINC000289816294 371830544 /nfs/dbraw/zinc/83/05/44/371830544.db2.gz AWBZDBPMFSTWIF-UHFFFAOYSA-N -1 3 287.812 3.307 20 0 CGADHM Cc1cc(CN2[C@H](C)CCC[C@@H]2C)oc1C(=O)[O-] ZINC000036812792 541859839 /nfs/dbraw/zinc/85/98/39/541859839.db2.gz BXNPQWZERBCMQU-PHIMTYICSA-N -1 3 251.326 3.049 20 0 CGADHM Cc1ccc(CN[C@@H](CC(=O)[O-])c2cccs2)cc1 ZINC000037087869 541861142 /nfs/dbraw/zinc/86/11/42/541861142.db2.gz JXMYRBJPYJOWOP-ZDUSSCGKSA-N -1 3 275.373 3.362 20 0 CGADHM CC(C)N(CCC(=O)[O-])Cc1ccc(F)cc1Cl ZINC000037596016 541865263 /nfs/dbraw/zinc/86/52/63/541865263.db2.gz VQGDPLVJTTZCDO-UHFFFAOYSA-N -1 3 273.735 3.164 20 0 CGADHM CC(C)[C@H](C(=O)[O-])[C@@H](C)NCc1ccc(F)cc1Cl ZINC000424628736 372088509 /nfs/dbraw/zinc/08/85/09/372088509.db2.gz XAAZPLQLDBVZOH-RNCFNFMXSA-N -1 3 287.762 3.314 20 0 CGADHM Cc1ccc(C(=O)N2CC[C@H](C)[C@@H](C)C2)c([O-])c1C ZINC000153732957 321726187 /nfs/dbraw/zinc/72/61/87/321726187.db2.gz UUFNEPLCOOGXES-JQWIXIFHSA-N -1 3 261.365 3.127 20 0 CGADHM CCO[N-]C(=O)C[C@@H](C)c1ccc(Br)cc1 ZINC000160092247 372212616 /nfs/dbraw/zinc/21/26/16/372212616.db2.gz NLTMDYOAXXOFDK-SECBINFHSA-N -1 3 286.169 3.010 20 0 CGADHM C[C@H](NC(=O)c1cc2c(cc1[O-])CCCC2)c1cccnc1 ZINC000332508543 204766025 /nfs/dbraw/zinc/76/60/25/204766025.db2.gz UBKXDEMWBLINME-LBPRGKRZSA-N -1 3 296.370 3.157 20 0 CGADHM O=C(c1cc([O-])ccc1Cl)N1CCC2(CCC2)CC1 ZINC000308736244 296183927 /nfs/dbraw/zinc/18/39/27/296183927.db2.gz YURNTWVPJNGLCU-UHFFFAOYSA-N -1 3 279.767 3.452 20 0 CGADHM CC[C@H](C)OCC(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000162272426 372384066 /nfs/dbraw/zinc/38/40/66/372384066.db2.gz SWTDGLKXFJBKLJ-VIFPVBQESA-N -1 3 271.744 3.108 20 0 CGADHM C[C@@H](C(=O)Nc1ccc(Cl)cc1[O-])C(C)(F)F ZINC000293589827 372418490 /nfs/dbraw/zinc/41/84/90/372418490.db2.gz XCBLVDVYOMIQET-LURJTMIESA-N -1 3 263.671 3.275 20 0 CGADHM CCOC1(C)CCN(C(=O)c2ccc(C)c(C)c2[O-])CC1 ZINC000293764034 372473182 /nfs/dbraw/zinc/47/31/82/372473182.db2.gz XSBILKUENPYBNH-UHFFFAOYSA-N -1 3 291.391 3.040 20 0 CGADHM CC[C@H](CC(=O)[N-]OCC1CC1)c1ccc(OC)cc1 ZINC000293789462 372483756 /nfs/dbraw/zinc/48/37/56/372483756.db2.gz OONMFUYKBMJXRM-CYBMUJFWSA-N -1 3 277.364 3.037 20 0 CGADHM COC(=O)c1cc(C(=O)Nc2ccc(Cl)cc2C)c[n-]1 ZINC000431666678 372494330 /nfs/dbraw/zinc/49/43/30/372494330.db2.gz KZGZXVLQDAIOAS-UHFFFAOYSA-N -1 3 292.722 3.015 20 0 CGADHM CN(C)[C@@H](CNCc1cccc([O-])c1Cl)c1ccco1 ZINC000294064302 372571115 /nfs/dbraw/zinc/57/11/15/372571115.db2.gz KDIZSSPLQADETP-LBPRGKRZSA-N -1 3 294.782 3.031 20 0 CGADHM CC[C@H](CSC)N(C)Cc1ccc(C(=O)[O-])s1 ZINC000167729414 372601768 /nfs/dbraw/zinc/60/17/68/372601768.db2.gz YHXAQUAOOJOMMB-SECBINFHSA-N -1 3 273.423 3.020 20 0 CGADHM Cc1cc(C(=O)N2CC(C)(C)[C@@H]3CCC[C@H]32)ccc1[O-] ZINC000294130084 372589528 /nfs/dbraw/zinc/58/95/28/372589528.db2.gz CRNVXSPDPKEOSQ-ZIAGYGMSSA-N -1 3 273.376 3.351 20 0 CGADHM CCCN(Cc1c(F)ccc([O-])c1F)CC(F)F ZINC000295294041 372730786 /nfs/dbraw/zinc/73/07/86/372730786.db2.gz JJGDLGKUKPZDID-UHFFFAOYSA-N -1 3 265.250 3.148 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-]C2CCC3(CC3)CC2)c(F)c1 ZINC000434780928 372709841 /nfs/dbraw/zinc/70/98/41/372709841.db2.gz CANRSTBHUPRFDI-UHFFFAOYSA-N -1 3 297.395 3.135 20 0 CGADHM CCCc1cc(=O)[n-]c(C(=Cc2ccnn2CC)CC)n1 ZINC000435334752 372751517 /nfs/dbraw/zinc/75/15/17/372751517.db2.gz BZKYWGFYVIOSDX-BENRWUELSA-N -1 3 286.379 3.302 20 0 CGADHM CC(C)c1nnc([N-]C(=O)c2csc(C(C)C)n2)s1 ZINC000171425334 372755760 /nfs/dbraw/zinc/75/57/60/372755760.db2.gz FUCIGCATVCNYDD-UHFFFAOYSA-N -1 3 296.421 3.494 20 0 CGADHM COc1ccc([O-])c(C(=O)N(C)CCc2ccccc2C)c1 ZINC000295518176 372811627 /nfs/dbraw/zinc/81/16/27/372811627.db2.gz VKAHBGKQUFQNAD-UHFFFAOYSA-N -1 3 299.370 3.024 20 0 CGADHM Cc1cc(C(=O)NC[C@@H]2CCCCC2(F)F)ccc1[O-] ZINC000295954405 372973088 /nfs/dbraw/zinc/97/30/88/372973088.db2.gz GWPVRBDIZYZTMC-LBPRGKRZSA-N -1 3 283.318 3.256 20 0 CGADHM CC(C)ON=C([O-])Nc1cccc(OC(F)(F)F)c1 ZINC000296247291 373068668 /nfs/dbraw/zinc/06/86/68/373068668.db2.gz GJTNRPRREPPNRA-UHFFFAOYSA-N -1 3 278.230 3.047 20 0 CGADHM CC(C)O[N-]C(=O)Nc1cccc(OC(F)(F)F)c1 ZINC000296247291 373068674 /nfs/dbraw/zinc/06/86/74/373068674.db2.gz GJTNRPRREPPNRA-UHFFFAOYSA-N -1 3 278.230 3.047 20 0 CGADHM CC[C@@H](C)C(=O)Nc1c(C)c(Br)ccc1[O-] ZINC000296250053 373068763 /nfs/dbraw/zinc/06/87/63/373068763.db2.gz XOMYXNGLJAXWAW-SSDOTTSWSA-N -1 3 286.169 3.448 20 0 CGADHM O=[S@](CCCc1ccccc1)c1ccc([O-])cc1 ZINC000173154069 373101042 /nfs/dbraw/zinc/10/10/42/373101042.db2.gz WXIGIXPJKDRYAG-GOSISDBHSA-N -1 3 260.358 3.133 20 0 CGADHM Cc1ccc(C(=O)N2CCCC[C@H]2c2cccn2C)c([O-])c1 ZINC000173539547 373153812 /nfs/dbraw/zinc/15/38/12/373153812.db2.gz ZSPKVIQHYZHKRS-INIZCTEOSA-N -1 3 298.386 3.407 20 0 CGADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCCC12CCC2 ZINC000444625326 373213632 /nfs/dbraw/zinc/21/36/32/373213632.db2.gz ZWXHKLCHVHFHGL-UHFFFAOYSA-N -1 3 291.366 3.399 20 0 CGADHM Cc1coc(-c2ccc(C)c(NC([O-])=NOC(C)C)c2)n1 ZINC000296708473 373224114 /nfs/dbraw/zinc/22/41/14/373224114.db2.gz VMDAPGYBEHOLTJ-UHFFFAOYSA-N -1 3 289.335 3.420 20 0 CGADHM Cc1coc(-c2ccc(C)c(NC(=O)[N-]OC(C)C)c2)n1 ZINC000296708473 373224121 /nfs/dbraw/zinc/22/41/21/373224121.db2.gz VMDAPGYBEHOLTJ-UHFFFAOYSA-N -1 3 289.335 3.420 20 0 CGADHM CSc1c(F)cc(NC(=O)[N-]OCC2CC2)cc1F ZINC000297273974 373264147 /nfs/dbraw/zinc/26/41/47/373264147.db2.gz URBVYNXCFVNVFW-UHFFFAOYSA-N -1 3 288.319 3.150 20 0 CGADHM Cc1cccc([O-])c1NC(=O)c1c[nH]c(-c2ccccc2)n1 ZINC000344969309 217371648 /nfs/dbraw/zinc/37/16/48/217371648.db2.gz PUNFXBZJZZQIDO-UHFFFAOYSA-N -1 3 293.326 3.343 20 0 CGADHM Cc1ccc(-c2cc(C(=O)Nc3ccc(O)cc3C)n[n-]2)o1 ZINC000174961641 373387749 /nfs/dbraw/zinc/38/77/49/373387749.db2.gz DCMXXIJBQLTZBY-UHFFFAOYSA-N -1 3 297.314 3.244 20 0 CGADHM CCC1(CC)CN([C@H](C)c2nc(C)cc(=O)[n-]2)CCS1 ZINC000447876639 373510714 /nfs/dbraw/zinc/51/07/14/373510714.db2.gz FFZTXMGORXMFAM-GFCCVEGCSA-N -1 3 295.452 3.159 20 0 CGADHM Cc1ccc(F)c(CN(C)[C@@H](C)c2nc(C)cc(=O)[n-]2)c1 ZINC000447884471 373513344 /nfs/dbraw/zinc/51/33/44/373513344.db2.gz XUOCTRLNJFEIPC-LBPRGKRZSA-N -1 3 289.354 3.131 20 0 CGADHM Cc1ccoc1C(=O)N=c1cc(-c2cccc(F)c2)o[n-]1 ZINC000448536882 373581394 /nfs/dbraw/zinc/58/13/94/373581394.db2.gz DSEWZQNHGYRDKB-UHFFFAOYSA-N -1 3 286.262 3.056 20 0 CGADHM CC[C@@H](C)CSc1nc(=O)cc([O-])n1C1CCCC1 ZINC000178136306 373747926 /nfs/dbraw/zinc/74/79/26/373747926.db2.gz XLDPLADTJSJZDT-SNVBAGLBSA-N -1 3 282.409 3.202 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)N1CC2(CC2)c2ccccc21 ZINC000449918376 373971725 /nfs/dbraw/zinc/97/17/25/373971725.db2.gz IEXVNYCQULRHAZ-UHFFFAOYSA-N -1 3 297.329 3.152 20 0 CGADHM O=C(CCc1ccc(O)cc1)Nc1cc(Cl)ccc1[O-] ZINC000180183192 373974317 /nfs/dbraw/zinc/97/43/17/373974317.db2.gz WIICMDULDXWNCU-UHFFFAOYSA-N -1 3 291.734 3.323 20 0 CGADHM O=C(Nc1ccc([O-])cc1F)[C@@H]1C[C@]12CCc1ccccc12 ZINC000180859247 374052115 /nfs/dbraw/zinc/05/21/15/374052115.db2.gz MPMYAKWWOWLNFE-KSSFIOAISA-N -1 3 297.329 3.374 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])c1c[nH]c2cc(F)ccc12 ZINC000181252350 374099443 /nfs/dbraw/zinc/09/94/43/374099443.db2.gz IOJUEZPYSRKKLC-UHFFFAOYSA-N -1 3 288.253 3.404 20 0 CGADHM COc1ccc([C@H](C)N(C)C(=O)c2cccc([O-])c2)cc1 ZINC000181839643 374179950 /nfs/dbraw/zinc/17/99/50/374179950.db2.gz OCPQLLRGYWLSEE-LBPRGKRZSA-N -1 3 285.343 3.234 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)N2CC[C@@H](CC(C)(C)C)C2)n1 ZINC000452078431 374228066 /nfs/dbraw/zinc/22/80/66/374228066.db2.gz LWMBZQFUSWJWLT-OLZOCXBDSA-N -1 3 277.412 3.310 20 0 CGADHM CCc1ccccc1C(=O)Nc1nnc(-c2ccc(C)o2)[n-]1 ZINC000181876472 374185611 /nfs/dbraw/zinc/18/56/11/374185611.db2.gz UHYRXGHWPPOCRK-UHFFFAOYSA-N -1 3 296.330 3.188 20 0 CGADHM CCc1ccccc1C(=O)Nc1nc(-c2ccc(C)o2)n[n-]1 ZINC000181876472 374185617 /nfs/dbraw/zinc/18/56/17/374185617.db2.gz UHYRXGHWPPOCRK-UHFFFAOYSA-N -1 3 296.330 3.188 20 0 CGADHM CCc1ccccc1C(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC000181876472 374185623 /nfs/dbraw/zinc/18/56/23/374185623.db2.gz UHYRXGHWPPOCRK-UHFFFAOYSA-N -1 3 296.330 3.188 20 0 CGADHM CCc1ccc(NC(=O)c2c([O-])cccc2O)cc1C ZINC000312272710 374275290 /nfs/dbraw/zinc/27/52/90/374275290.db2.gz NVKGTJRKVOUXBN-UHFFFAOYSA-N -1 3 271.316 3.221 20 0 CGADHM CCC(=O)Nc1ccc(C)c(NCc2nc(C)ccc2[O-])c1 ZINC000316763828 374335586 /nfs/dbraw/zinc/33/55/86/374335586.db2.gz JHRQEBJRFSZDAO-UHFFFAOYSA-N -1 3 299.374 3.365 20 0 CGADHM Cc1cc(N(C)C)cc(C)c1NC(=O)c1cccc([O-])c1 ZINC000182892842 374339187 /nfs/dbraw/zinc/33/91/87/374339187.db2.gz KDWAUWPLJCPWRW-UHFFFAOYSA-N -1 3 284.359 3.327 20 0 CGADHM Cc1ccc(CNCc2cccc([O-])c2Cl)cn1 ZINC000328185689 374361491 /nfs/dbraw/zinc/36/14/91/374361491.db2.gz BQUZWLDAHRCKRU-UHFFFAOYSA-N -1 3 262.740 3.039 20 0 CGADHM Cc1cccc(C)c1NCC(=O)Nc1ccc([O-])cc1F ZINC000183241540 374390349 /nfs/dbraw/zinc/39/03/49/374390349.db2.gz FHJZNOFPSLFVDQ-UHFFFAOYSA-N -1 3 288.322 3.199 20 0 CGADHM Cc1cc(C)cc([C@H](C)NC(=O)c2cccc3nn[n-]c32)c1 ZINC000183584465 374430693 /nfs/dbraw/zinc/43/06/93/374430693.db2.gz DPURWIPMWZASLD-LBPRGKRZSA-N -1 3 294.358 3.066 20 0 CGADHM Cc1cc(C)cc([C@H](C)NC(=O)c2cccc3[n-]nnc32)c1 ZINC000183584465 374430699 /nfs/dbraw/zinc/43/06/99/374430699.db2.gz DPURWIPMWZASLD-LBPRGKRZSA-N -1 3 294.358 3.066 20 0 CGADHM Cc1cc(C)cc([C@H](C)NC(=O)c2cccc3n[n-]nc32)c1 ZINC000183584465 374430703 /nfs/dbraw/zinc/43/07/03/374430703.db2.gz DPURWIPMWZASLD-LBPRGKRZSA-N -1 3 294.358 3.066 20 0 CGADHM CC(C)(C)c1ccc(NC(=O)[C@H]2CCCCO2)c([O-])c1 ZINC000330399868 374458860 /nfs/dbraw/zinc/45/88/60/374458860.db2.gz JFGSWJILIQNUEH-CQSZACIVSA-N -1 3 277.364 3.197 20 0 CGADHM O=[S@@](Cc1ccc(OC(F)F)cc1)c1cccc([O-])c1 ZINC000184048478 374485539 /nfs/dbraw/zinc/48/55/39/374485539.db2.gz QMGVTEQXPAIFEB-FQEVSTJZSA-N -1 3 298.310 3.301 20 0 CGADHM CCOc1ccccc1C[S@@](=O)c1cccc([O-])c1 ZINC000184077894 374490258 /nfs/dbraw/zinc/49/02/58/374490258.db2.gz FLEBEURKDSIFHH-LJQANCHMSA-N -1 3 276.357 3.099 20 0 CGADHM [O-]c1ccc(F)c(CN2CCC[C@@]3(CCCOC3)C2)c1F ZINC000334170069 206133810 /nfs/dbraw/zinc/13/38/10/206133810.db2.gz AUKCFNVRNXQYIG-MRXNPFEDSA-N -1 3 297.345 3.063 20 0 CGADHM CCOC(=O)c1cccc(NCc2cc([O-])cc(F)c2)c1 ZINC000184135546 374497062 /nfs/dbraw/zinc/49/70/62/374497062.db2.gz CSGCUSSGJJYZOW-UHFFFAOYSA-N -1 3 289.306 3.320 20 0 CGADHM FC1(F)CC[C@H](CSc2n[n-]c(-c3ccccn3)n2)C1 ZINC000332180710 374557982 /nfs/dbraw/zinc/55/79/82/374557982.db2.gz NOYMKNQKXXPFSX-VIFPVBQESA-N -1 3 296.346 3.394 20 0 CGADHM CC1(C)CC[C@@H](CNC(=O)c2cc([O-])c3ccccc3c2)O1 ZINC000332177021 374558622 /nfs/dbraw/zinc/55/86/22/374558622.db2.gz ZUMDYLGDDDDIMN-AWEZNQCLSA-N -1 3 299.370 3.233 20 0 CGADHM Cc1ccsc1CN(C)C(=O)c1cccc([O-])c1 ZINC000334381117 374700804 /nfs/dbraw/zinc/70/08/04/374700804.db2.gz JCSSOTJYWKDHQL-UHFFFAOYSA-N -1 3 261.346 3.034 20 0 CGADHM [O-]c1ccc(F)c(CNC2CCC(F)(F)CC2)c1F ZINC000334447830 374758496 /nfs/dbraw/zinc/75/84/96/374758496.db2.gz QNSAVBFYMCEEFV-UHFFFAOYSA-N -1 3 277.261 3.338 20 0 CGADHM CC(C)N(CC(=O)OC(C)(C)C)Cc1cc([O-])cc(F)c1 ZINC000186245858 374820610 /nfs/dbraw/zinc/82/06/10/374820610.db2.gz DOAWIKCPPMVNRP-UHFFFAOYSA-N -1 3 297.370 3.083 20 0 CGADHM CCC[C@@H](NC(=O)c1ccc([O-])c(OC)c1)C1CCC1 ZINC000458334892 374769944 /nfs/dbraw/zinc/76/99/44/374769944.db2.gz PXWRHHRBIDTOHT-CYBMUJFWSA-N -1 3 277.364 3.099 20 0 CGADHM [O-]c1ccc(Cc2nc(C3CC(F)(F)C3)no2)cc1F ZINC000334547392 374844192 /nfs/dbraw/zinc/84/41/92/374844192.db2.gz GZHNXPNAOYIBHA-UHFFFAOYSA-N -1 3 284.237 3.018 20 0 CGADHM COc1cc(C(=O)N2CC[C@@H](C3CCCC3)C2)ccc1[O-] ZINC000335033696 375083024 /nfs/dbraw/zinc/08/30/24/375083024.db2.gz HSCJJTUTVATWIP-CQSZACIVSA-N -1 3 289.375 3.053 20 0 CGADHM COC(=O)c1cnc(S[C@H](C)c2cccc(OC)c2)[n-]1 ZINC000187583623 375048736 /nfs/dbraw/zinc/04/87/36/375048736.db2.gz CINOYCQVNOBPFZ-SECBINFHSA-N -1 3 292.360 3.058 20 0 CGADHM C[C@@H]1C[C@H](C(=O)[O-])CN(Cc2cc(F)ccc2Cl)C1 ZINC000335152404 375179361 /nfs/dbraw/zinc/17/93/61/375179361.db2.gz QNXFHGXLHRWWQW-KOLCDFICSA-N -1 3 285.746 3.022 20 0 CGADHM O=C(Nc1ccccc1[O-])c1c(Cl)cncc1Cl ZINC000335229494 375247568 /nfs/dbraw/zinc/24/75/68/375247568.db2.gz LTLKFUQQQORDSG-UHFFFAOYSA-N -1 3 283.114 3.346 20 0 CGADHM Cc1cc(C(=O)Nc2cc(Br)ccc2[O-])co1 ZINC000188925394 375292968 /nfs/dbraw/zinc/29/29/68/375292968.db2.gz CTXLHSHMSODDBE-UHFFFAOYSA-N -1 3 296.120 3.308 20 0 CGADHM CCc1cc(C(=O)Nc2ccc3c(c2)COC3)ccc1[O-] ZINC000335438137 375293657 /nfs/dbraw/zinc/29/36/57/375293657.db2.gz CTLNHOQNJGMPRU-UHFFFAOYSA-N -1 3 283.327 3.237 20 0 CGADHM O=C(NCc1ncccc1[O-])c1cc(Cl)ccc1Cl ZINC000335683794 375344050 /nfs/dbraw/zinc/34/40/50/375344050.db2.gz YKNIHGXUJOEPLW-UHFFFAOYSA-N -1 3 297.141 3.024 20 0 CGADHM CCc1ncsc1[N-]C(=O)c1c(F)ccc(F)c1F ZINC000335712372 375368970 /nfs/dbraw/zinc/36/89/70/375368970.db2.gz WNIOKRRWJJBPPL-UHFFFAOYSA-N -1 3 286.278 3.375 20 0 CGADHM COc1ccc(NC(=O)/C=C/c2ccsc2)c([O-])c1 ZINC000491978470 375384382 /nfs/dbraw/zinc/38/43/82/375384382.db2.gz BIIZGDHZEPBADJ-GORDUTHDSA-N -1 3 275.329 3.114 20 0 CGADHM COc1cccc(C(=O)N2CCC(C)(C(C)C)CC2)c1[O-] ZINC000190341079 375497676 /nfs/dbraw/zinc/49/76/76/375497676.db2.gz DMWBFZYUROOVON-UHFFFAOYSA-N -1 3 291.391 3.299 20 0 CGADHM CCCCOc1ccc(C(=O)N2CC[C@H](C)[C@@H]2C)c([O-])c1 ZINC000190579802 375522004 /nfs/dbraw/zinc/52/20/04/375522004.db2.gz ZPGOHDBCHTYQPO-STQMWFEESA-N -1 3 291.391 3.442 20 0 CGADHM Cc1noc(C)c1[N-]C(=O)c1c(F)ccc(C)c1F ZINC000335897734 375523718 /nfs/dbraw/zinc/52/37/18/375523718.db2.gz QHXXNFXJTIFILB-UHFFFAOYSA-N -1 3 266.247 3.130 20 0 CGADHM CC(C)(C(=O)Nc1cc(F)ccc1[O-])C1CCC(O)CC1 ZINC000336053909 375649372 /nfs/dbraw/zinc/64/93/72/375649372.db2.gz ZBSDTSZSMBTFSA-UHFFFAOYSA-N -1 3 295.354 3.047 20 0 CGADHM CC(C)[C@H]1CCCN(C(=O)c2c[n-]c3ccccc3c2=O)C1 ZINC000336177440 375750239 /nfs/dbraw/zinc/75/02/39/375750239.db2.gz AVFKWVIORLORHY-ZDUSSCGKSA-N -1 3 298.386 3.036 20 0 CGADHM CC(C)(C)CNC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000192876717 375797538 /nfs/dbraw/zinc/79/75/38/375797538.db2.gz YUUHISSGQDZBGA-UHFFFAOYSA-N -1 3 275.270 3.187 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)N[C@@H](C)c2cccc(F)c2F)n1 ZINC000192764624 375786988 /nfs/dbraw/zinc/78/69/88/375786988.db2.gz KFFSBMHWFKQAIR-VHSXEESVSA-N -1 3 293.317 3.181 20 0 CGADHM C[C@@H](NC(=O)c1ccc(O)cc1[O-])c1ccc(Cl)s1 ZINC000193295683 375854423 /nfs/dbraw/zinc/85/44/23/375854423.db2.gz ZSPKZSJHFATCTB-SSDOTTSWSA-N -1 3 297.763 3.304 20 0 CGADHM O=C(c1ccc(O)cc1[O-])N1CCCC12CCCCC2 ZINC000336591688 375858543 /nfs/dbraw/zinc/85/85/43/375858543.db2.gz QKYCPBJDXSTSSR-UHFFFAOYSA-N -1 3 275.348 3.037 20 0 CGADHM Cc1c(F)ccc(Cl)c1C(=O)Nc1ncccc1[O-] ZINC000336608908 375871603 /nfs/dbraw/zinc/87/16/03/375871603.db2.gz UBRDADGDNPQKTO-UHFFFAOYSA-N -1 3 280.686 3.140 20 0 CGADHM COC(=O)c1cnc(S[C@@H](C)c2ccccc2C)[n-]1 ZINC000193542861 375893269 /nfs/dbraw/zinc/89/32/69/375893269.db2.gz DHKDCEKTRCLTCK-JTQLQIEISA-N -1 3 276.361 3.358 20 0 CGADHM CO[C@@H](CC(C)C)C(=O)Nc1c([O-])cccc1Cl ZINC000520608081 375867906 /nfs/dbraw/zinc/86/79/06/375867906.db2.gz QEWNESFFMHFHIL-NSHDSACASA-N -1 3 271.744 3.045 20 0 CGADHM C[C@@H](CCCNCc1ccc(Cl)cc1F)C(=O)[O-] ZINC000336792814 375942002 /nfs/dbraw/zinc/94/20/02/375942002.db2.gz UHINHMZAUDYRSH-VIFPVBQESA-N -1 3 273.735 3.070 20 0 CGADHM Cc1ccccc1NCCC(=O)Nc1cccc([O-])c1F ZINC000534944698 376007662 /nfs/dbraw/zinc/00/76/62/376007662.db2.gz POMJAMOBFRBUHW-UHFFFAOYSA-N -1 3 288.322 3.280 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)C(=O)c2ccccc2)c1[O-] ZINC000194525715 376014379 /nfs/dbraw/zinc/01/43/79/376014379.db2.gz BLGGSPSUMXSRAG-UHFFFAOYSA-N -1 3 289.718 3.175 20 0 CGADHM O=C([N-]c1nnc(C(F)F)s1)c1cc2ccccc2o1 ZINC000336879938 376016721 /nfs/dbraw/zinc/01/67/21/376016721.db2.gz BFXGCUCOWAMJLF-UHFFFAOYSA-N -1 3 295.270 3.474 20 0 CGADHM CCCCOc1ccccc1[N-]S(=O)(=O)CCC1CC1 ZINC000536116693 376078939 /nfs/dbraw/zinc/07/89/39/376078939.db2.gz JMVGBHYDWZKXCZ-UHFFFAOYSA-N -1 3 297.420 3.407 20 0 CGADHM CC(C)(C)c1ccc(CC(=O)Nc2ncccc2[O-])cc1 ZINC000337099688 376080058 /nfs/dbraw/zinc/08/00/58/376080058.db2.gz DBTVHTCAGKIMEJ-UHFFFAOYSA-N -1 3 284.359 3.266 20 0 CGADHM C[C@H]1c2c(F)cccc2CCN1C(=O)c1ccccc1[O-] ZINC000537387668 376165863 /nfs/dbraw/zinc/16/58/63/376165863.db2.gz ARKARIGQENZKMG-NSHDSACASA-N -1 3 285.318 3.291 20 0 CGADHM CCc1ccc([O-])c(C(=O)N[C@H](c2cccnc2)C2CC2)c1 ZINC000538764035 376269536 /nfs/dbraw/zinc/26/95/36/376269536.db2.gz JMSMBKQOXWGHMG-KRWDZBQOSA-N -1 3 296.370 3.231 20 0 CGADHM O=C(Nc1cc(C(F)(F)F)ccc1[O-])[C@H]1C[C@@H]1C(F)F ZINC000338192546 376278757 /nfs/dbraw/zinc/27/87/57/376278757.db2.gz SRCPAZWQGUXGFA-BQBZGAKWSA-N -1 3 295.207 3.251 20 0 CGADHM Cc1ccc2c(CN3CCC=C(F)C3)ccc([O-])c2n1 ZINC000338291826 376318360 /nfs/dbraw/zinc/31/83/60/376318360.db2.gz ZLXVTDKVFCPUPN-UHFFFAOYSA-N -1 3 272.323 3.308 20 0 CGADHM Cc1cc(C(=O)N(C)[C@@H]2CCC[C@@H](C)C2)ccc1[O-] ZINC000227017560 376376670 /nfs/dbraw/zinc/37/66/70/376376670.db2.gz JICZGFHIDAMKHL-BXUZGUMPSA-N -1 3 261.365 3.351 20 0 CGADHM COc1ccc(C)cc1NC(=O)c1ccc([O-])c(C)c1 ZINC000226951821 376377696 /nfs/dbraw/zinc/37/76/96/376377696.db2.gz KTFDXRONHAAICD-UHFFFAOYSA-N -1 3 271.316 3.270 20 0 CGADHM Cc1cc(C(=O)N2CC=C(C(F)(F)F)CC2)ccc1[O-] ZINC000227042652 376379471 /nfs/dbraw/zinc/37/94/71/376379471.db2.gz GIKUWCRVYDKJSK-UHFFFAOYSA-N -1 3 285.265 3.035 20 0 CGADHM CC1(C)CCCC[C@@H]1NCc1cc(C(=O)[O-])co1 ZINC000228175970 376431224 /nfs/dbraw/zinc/43/12/24/376431224.db2.gz LLTXQYOJYICWLV-LBPRGKRZSA-N -1 3 251.326 3.036 20 0 CGADHM COC1(c2noc(-c3cc(C)ccc3[O-])n2)CCCC1 ZINC000228233095 376433114 /nfs/dbraw/zinc/43/31/14/376433114.db2.gz OLJALZBELDLAFQ-UHFFFAOYSA-N -1 3 274.320 3.166 20 0 CGADHM CN(CC(C)(C)C)C(=O)c1c[n-]c2ccccc2c1=O ZINC000263783753 190078736 /nfs/dbraw/zinc/07/87/36/190078736.db2.gz HINDOFBZLVEWAS-UHFFFAOYSA-N -1 3 272.348 3.059 20 0 CGADHM C[C@@H]1CCN(C(=O)c2ccc(O)cc2[O-])[C@H]2CCCC[C@H]12 ZINC000541888685 376490362 /nfs/dbraw/zinc/49/03/62/376490362.db2.gz UAUNXBKRPCHFCC-KYOSRNDESA-N -1 3 289.375 3.139 20 0 CGADHM CCc1nc(C(=O)Nc2cc(C(C)(C)C)ccc2[O-])co1 ZINC000542492077 376550552 /nfs/dbraw/zinc/55/05/52/376550552.db2.gz BOANGKGCOIHTHF-UHFFFAOYSA-N -1 3 288.347 3.492 20 0 CGADHM COc1ccccc1[C@H](C)CC(=O)[N-]OCc1ccccc1 ZINC000264206938 190096026 /nfs/dbraw/zinc/09/60/26/190096026.db2.gz TWXCMKIFLMADPD-CQSZACIVSA-N -1 3 299.370 3.437 20 0 CGADHM C[C@H](CNC(=O)c1cc([O-])ccc1Cl)c1nccs1 ZINC000235451624 376641193 /nfs/dbraw/zinc/64/11/93/376641193.db2.gz RCVSQCYOWPRCCS-MRVPVSSYSA-N -1 3 296.779 3.036 20 0 CGADHM Cc1csc([C@H](C)NC(=O)c2cc([O-])ccc2Cl)n1 ZINC000235506107 376643936 /nfs/dbraw/zinc/64/39/36/376643936.db2.gz ROHCIHABRJYXOX-QMMMGPOBSA-N -1 3 296.779 3.302 20 0 CGADHM O=C(c1cc([O-])ccc1Cl)N1CCC[C@@H]2CCC[C@@H]21 ZINC000236604221 376670251 /nfs/dbraw/zinc/67/02/51/376670251.db2.gz AGUCKCHBVOKIGG-HZMBPMFUSA-N -1 3 279.767 3.450 20 0 CGADHM COc1ccc(NC(=O)c2cc(C)sc2C)c([O-])c1 ZINC000135410563 542087703 /nfs/dbraw/zinc/08/77/03/542087703.db2.gz IFZRALYERJDPPJ-UHFFFAOYSA-N -1 3 277.345 3.331 20 0 CGADHM C[C@H](Cc1cccc(Cl)c1)C(=O)Nc1ncccc1[O-] ZINC000339656888 376788120 /nfs/dbraw/zinc/78/81/20/376788120.db2.gz KFOFKCUORKIJPV-SNVBAGLBSA-N -1 3 290.750 3.258 20 0 CGADHM O=C(Cc1cccc(F)c1)Nc1ccc(Cl)cc1[O-] ZINC000153430531 542112707 /nfs/dbraw/zinc/11/27/07/542112707.db2.gz ISNJOWRHZPMWTD-UHFFFAOYSA-N -1 3 279.698 3.366 20 0 CGADHM Cc1ccc(NC(=O)c2c[nH]c(-c3ccccc3)n2)c([O-])c1 ZINC000340033589 376897574 /nfs/dbraw/zinc/89/75/74/376897574.db2.gz KLYWDDJEIWBHJK-UHFFFAOYSA-N -1 3 293.326 3.343 20 0 CGADHM CC(C)c1ncncc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000340327786 377002575 /nfs/dbraw/zinc/00/25/75/377002575.db2.gz MJSWGSBIFUYFAO-UHFFFAOYSA-N -1 3 291.738 3.211 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N2CCC[C@H]2c2cccs2)n1 ZINC000246943379 377123968 /nfs/dbraw/zinc/12/39/68/377123968.db2.gz CAJYIYDWZKOKOO-RYUDHWBXSA-N -1 3 289.404 3.450 20 0 CGADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CC[C@H]2CCC[C@@H]21 ZINC000436834259 284619870 /nfs/dbraw/zinc/61/98/70/284619870.db2.gz LOSSPUGFVVWTPC-WBMJQRKESA-N -1 3 285.387 3.286 20 0 CGADHM CCc1cc(C(=O)N2CCc3ccccc3C2)ccc1[O-] ZINC000340734794 377242287 /nfs/dbraw/zinc/24/22/87/377242287.db2.gz FHRYLTMWDGBKHF-UHFFFAOYSA-N -1 3 281.355 3.153 20 0 CGADHM C[C@H](NCc1ncccc1[O-])c1cccc(OC(F)F)c1 ZINC000561951592 377253314 /nfs/dbraw/zinc/25/33/14/377253314.db2.gz RRFOFCAGEBCPPG-JTQLQIEISA-N -1 3 294.301 3.239 20 0 CGADHM CCc1cc(C(=O)NCCc2cccc(F)c2)ccc1[O-] ZINC000561084940 377206717 /nfs/dbraw/zinc/20/67/17/377206717.db2.gz ZWGIOIBUITZLBQ-UHFFFAOYSA-N -1 3 287.334 3.066 20 0 CGADHM O=C(NCc1ccc([O-])c(F)c1)c1cc(F)cc(Cl)c1 ZINC000340896263 377307959 /nfs/dbraw/zinc/30/79/59/377307959.db2.gz IIAMJIIHYVGIED-UHFFFAOYSA-N -1 3 297.688 3.254 20 0 CGADHM O=C([O-])[C@H](NCc1cccc(C2CC2)c1)c1ccc(O)cc1 ZINC000562949039 377376374 /nfs/dbraw/zinc/37/63/74/377376374.db2.gz UEQVPRVEDCHYGZ-QGZVFWFLSA-N -1 3 297.354 3.185 20 0 CGADHM C[C@H](c1ccccc1)[C@H](C)NC(=O)c1c([O-])cccc1O ZINC000092123852 249032282 /nfs/dbraw/zinc/03/22/82/249032282.db2.gz QNKQNSDKBJONTB-RYUDHWBXSA-N -1 3 285.343 3.020 20 0 CGADHM C[C@H](NC(=O)c1c([O-])cccc1O)c1ccccc1Cl ZINC000092102571 249032860 /nfs/dbraw/zinc/03/28/60/249032860.db2.gz MWCMNZQPMVIKIB-VIFPVBQESA-N -1 3 291.734 3.242 20 0 CGADHM CCc1ccc([O-])c(C(=O)N[C@@H](CC)c2nccs2)c1 ZINC000094163489 249038485 /nfs/dbraw/zinc/03/84/85/249038485.db2.gz VCFHAWRKBMMDIH-LBPRGKRZSA-N -1 3 290.388 3.292 20 0 CGADHM COc1ccc([O-])c(-c2nc(-c3cscc3C)no2)c1 ZINC000094865104 249042816 /nfs/dbraw/zinc/04/28/16/249042816.db2.gz SACLFEGFKYAGBD-UHFFFAOYSA-N -1 3 288.328 3.488 20 0 CGADHM COCC1(c2noc(-c3cc(C)ccc3[O-])n2)CCCC1 ZINC000312973968 249083919 /nfs/dbraw/zinc/08/39/19/249083919.db2.gz CRSXTHFSQCJSQQ-UHFFFAOYSA-N -1 3 288.347 3.209 20 0 CGADHM CCc1ccc(C(=O)N2C[C@H](C)C[C@H](C)C2)c([O-])c1 ZINC000188433971 249058129 /nfs/dbraw/zinc/05/81/29/249058129.db2.gz WMCGIYFYHXOMMI-TXEJJXNPSA-N -1 3 261.365 3.073 20 0 CGADHM O=c1cc(CNc2cc(F)cc(Cl)c2)nc(C2CC2)[n-]1 ZINC000417025070 249124876 /nfs/dbraw/zinc/12/48/76/249124876.db2.gz QXDFOUBYJYRTPY-UHFFFAOYSA-N -1 3 293.729 3.464 20 0 CGADHM CC(=O)c1ccc(C(=O)Nc2cccc(C)c2[O-])cc1 ZINC000174960243 542183891 /nfs/dbraw/zinc/18/38/91/542183891.db2.gz XPGZCNADLJSRSZ-UHFFFAOYSA-N -1 3 269.300 3.156 20 0 CGADHM CCC[C@H]1CCCC[C@H]1CNC(=O)c1csc(=O)[n-]1 ZINC000515428516 249211480 /nfs/dbraw/zinc/21/14/80/249211480.db2.gz DFXYCTIOYIPTQS-QWRGUYRKSA-N -1 3 282.409 3.185 20 0 CGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C(C)(C)C)c1Cl ZINC000515734491 249220304 /nfs/dbraw/zinc/22/03/04/249220304.db2.gz OSGHJSBELMIKMJ-UHFFFAOYSA-N -1 3 296.219 3.379 20 0 CGADHM CS[C@H]1CCCCN(Cc2cc(C)c(C(=O)[O-])o2)C1 ZINC000516300895 249230272 /nfs/dbraw/zinc/23/02/72/249230272.db2.gz JIDZXPYZRVHMDA-LBPRGKRZSA-N -1 3 283.393 3.004 20 0 CGADHM CCc1nc([C@@H](C)[N-]c2nc(C(C)C)no2)cs1 ZINC000265491133 190186145 /nfs/dbraw/zinc/18/61/45/190186145.db2.gz CCJQXPJVOCSNJS-MRVPVSSYSA-N -1 3 266.370 3.385 20 0 CGADHM CC[C@H]([N-]S(=O)(=O)c1ccc(F)cc1F)C(C)(C)C ZINC000517962964 249274090 /nfs/dbraw/zinc/27/40/90/249274090.db2.gz UWXOKUDSQBVEKT-LBPRGKRZSA-N -1 3 291.363 3.068 20 0 CGADHM Cc1cccc([O-])c1NC(=O)CCCc1ccccn1 ZINC000179552899 542200939 /nfs/dbraw/zinc/20/09/39/542200939.db2.gz FZAYFMXYFFJAOD-UHFFFAOYSA-N -1 3 270.332 3.057 20 0 CGADHM CC[C@@H]1CCCN(Cc2csc(C(=O)[O-])c2)C1 ZINC000574458352 377666535 /nfs/dbraw/zinc/66/65/35/377666535.db2.gz FNOMEBHPRLLYNU-SNVBAGLBSA-N -1 3 253.367 3.068 20 0 CGADHM CCN(Cc1cc(C(=O)[O-])co1)[C@@H](C)Cc1ccsc1 ZINC000574697717 377696654 /nfs/dbraw/zinc/69/66/54/377696654.db2.gz YHLWXDLOGQLJLC-NSHDSACASA-N -1 3 293.388 3.492 20 0 CGADHM CO[C@@H]1CCN([C@H](C)c2cc(C(=O)[O-])c(C)o2)CC1(C)C ZINC000574704872 377698776 /nfs/dbraw/zinc/69/87/76/377698776.db2.gz RXUGZJNAWFNBAU-QMTHXVAHSA-N -1 3 295.379 3.094 20 0 CGADHM Cc1cccc([O-])c1NC(=O)/C=C\c1ccccc1 ZINC000255588668 377768110 /nfs/dbraw/zinc/76/81/10/377768110.db2.gz LPBMSLHLIZTQPW-KHPPLWFESA-N -1 3 253.301 3.353 20 0 CGADHM O=C([O-])C1CCN(Cc2ccc(-c3ccccc3)o2)CC1 ZINC000263387686 377931079 /nfs/dbraw/zinc/93/10/79/377931079.db2.gz DKTFZWGQLGWGIB-UHFFFAOYSA-N -1 3 285.343 3.243 20 0 CGADHM CC(C)N(CC(=O)[O-])Cc1c(Cl)ccc2cccnc21 ZINC000263579571 377948333 /nfs/dbraw/zinc/94/83/33/377948333.db2.gz UWXYLOARYNTNEL-UHFFFAOYSA-N -1 3 292.766 3.183 20 0 CGADHM O=C([O-])c1ccc(CN2CCSC3(CCC3)CC2)s1 ZINC000576004096 378006563 /nfs/dbraw/zinc/00/65/63/378006563.db2.gz MVBSOPLEUKXBNK-UHFFFAOYSA-N -1 3 297.445 3.308 20 0 CGADHM Cc1cc(C(=O)N[C@H](c2ccccc2)C(C)(C)C)[n-]c(=O)n1 ZINC000343456003 377986015 /nfs/dbraw/zinc/98/60/15/377986015.db2.gz YFKZRURXZHRRLU-CQSZACIVSA-N -1 3 299.374 3.008 20 0 CGADHM CN(CCC1CCCCC1)Cc1ccc(C(=O)[O-])cn1 ZINC000575810728 377992152 /nfs/dbraw/zinc/99/21/52/377992152.db2.gz UMMRCQIZDJGAFF-UHFFFAOYSA-N -1 3 276.380 3.182 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCCC[C@@H]2C(C)(C)C)o1 ZINC000575823224 377993450 /nfs/dbraw/zinc/99/34/50/377993450.db2.gz UNXYYSOCTMNVKU-STQMWFEESA-N -1 3 299.436 3.471 20 0 CGADHM CC1(C)CCC[C@@H](CNCc2nc(C(=O)[O-])cs2)C1 ZINC000578004511 378029308 /nfs/dbraw/zinc/02/93/08/378029308.db2.gz BPDDJBPBHGUBDH-SNVBAGLBSA-N -1 3 282.409 3.147 20 0 CGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)CC[C@H](C)CC ZINC000343643687 378051663 /nfs/dbraw/zinc/05/16/63/378051663.db2.gz BKVVUCWZPANCLV-SNVBAGLBSA-N -1 3 296.367 3.179 20 0 CGADHM C[C@H]1CC[C@H](C)N1Cc1ccc(C(=O)[O-])c(Cl)c1 ZINC000578329459 378058098 /nfs/dbraw/zinc/05/80/98/378058098.db2.gz DWHMWGLXJWDLJF-UWVGGRQHSA-N -1 3 267.756 3.411 20 0 CGADHM CC(C)[C@@H]1CN([C@H](C)c2ccc(C(=O)[O-])o2)CCS1 ZINC000578369672 378063399 /nfs/dbraw/zinc/06/33/99/378063399.db2.gz VGGCFWRKSXSYTE-MFKMUULPSA-N -1 3 283.393 3.112 20 0 CGADHM COc1ccc(Cl)c(CN(C)[C@H](CC(C)C)C(=O)[O-])c1 ZINC000578874932 378109403 /nfs/dbraw/zinc/10/94/03/378109403.db2.gz IEOJWWKREBNFHO-CQSZACIVSA-N -1 3 299.798 3.280 20 0 CGADHM O=C([O-])CCN1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC000579669803 378181813 /nfs/dbraw/zinc/18/18/13/378181813.db2.gz IFUXCMJYLGATBD-QGZVFWFLSA-N -1 3 281.355 3.261 20 0 CGADHM Cc1oc(C(=O)[O-])cc1CN1CC[C@@H](C)C(C)(C)C1 ZINC000580838373 378262725 /nfs/dbraw/zinc/26/27/25/378262725.db2.gz FYGAWJMAWXMLAS-SNVBAGLBSA-N -1 3 265.353 3.154 20 0 CGADHM CN(Cc1ccc(C(=O)[O-])c(Cl)c1)C[C@@H]1CCCCO1 ZINC000582246685 378297513 /nfs/dbraw/zinc/29/75/13/378297513.db2.gz MPXDRMVAVUOWSS-LBPRGKRZSA-N -1 3 297.782 3.039 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2ccc(-c3cnco3)cc2)n1 ZINC000345940422 378415698 /nfs/dbraw/zinc/41/56/98/378415698.db2.gz NOBVZLWDMHVVHQ-UHFFFAOYSA-N -1 3 295.298 3.003 20 0 CGADHM C[C@@H]1[C@@H](C)CCN1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000345915344 378406666 /nfs/dbraw/zinc/40/66/66/378406666.db2.gz UFIFYUTUJBLRNY-NWDGAFQWSA-N -1 3 279.355 3.111 20 0 CGADHM Cc1ccc([O-])c(NC(=O)C2(c3ccccc3C)CC2)n1 ZINC000345927368 378410374 /nfs/dbraw/zinc/41/03/74/378410374.db2.gz CDDXXRGVERCQNA-UHFFFAOYSA-N -1 3 282.343 3.074 20 0 CGADHM Cc1ccc([O-])c(NC(=O)C[C@H](C)c2ccc(F)cc2)n1 ZINC000345927468 378410414 /nfs/dbraw/zinc/41/04/14/378410414.db2.gz CQOAUWFNLXZOLC-JTQLQIEISA-N -1 3 288.322 3.367 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2ccc(Cl)cc2C)n1 ZINC000345931695 378411677 /nfs/dbraw/zinc/41/16/77/378411677.db2.gz QVBIWLGTWHNFBS-UHFFFAOYSA-N -1 3 276.723 3.310 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2cccc(C(F)(F)F)c2)n1 ZINC000345936472 378413147 /nfs/dbraw/zinc/41/31/47/378413147.db2.gz VMWUPVSPMVXAKG-UHFFFAOYSA-N -1 3 296.248 3.367 20 0 CGADHM CC1(C)CC[C@H]1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000346125932 378471774 /nfs/dbraw/zinc/47/17/74/378471774.db2.gz ZMVLEZZDBGQPNB-CQSZACIVSA-N -1 3 279.355 3.159 20 0 CGADHM O=C(Nc1ccc([O-])cc1F)c1c[nH]c(-c2ccccc2)n1 ZINC000346000283 378435217 /nfs/dbraw/zinc/43/52/17/378435217.db2.gz XCXRDFWEXJKJSP-UHFFFAOYSA-N -1 3 297.289 3.174 20 0 CGADHM Cc1cc(C(=O)N2CCC[C@H]2c2cccn2C)ccc1[O-] ZINC000272442596 378638330 /nfs/dbraw/zinc/63/83/30/378638330.db2.gz MSRHUZXPHXGGTL-HNNXBMFYSA-N -1 3 284.359 3.016 20 0 CGADHM CC[C@@H]1C[C@H](Cc2nc(-c3ccc([O-])cc3)no2)CCO1 ZINC000272757301 378699077 /nfs/dbraw/zinc/69/90/77/378699077.db2.gz OXJQUOCBYCTRQV-BXUZGUMPSA-N -1 3 288.347 3.190 20 0 CGADHM Cc1csc(C[N-]C(=O)C(F)(F)c2ccc(C)cc2)n1 ZINC000272505421 378653022 /nfs/dbraw/zinc/65/30/22/378653022.db2.gz FHEDYPOGFCNANA-UHFFFAOYSA-N -1 3 296.342 3.168 20 0 CGADHM CCCC[C@@H](C(=O)[O-])N1CCc2c(Cl)cccc2C1 ZINC000566358920 322117847 /nfs/dbraw/zinc/11/78/47/322117847.db2.gz OIWNMWXDOJKQOP-AWEZNQCLSA-N -1 3 281.783 3.342 20 0 CGADHM COCCN(C(=O)c1cccc([O-])c1)[C@H](C)c1ccccc1 ZINC000272859157 378713688 /nfs/dbraw/zinc/71/36/88/378713688.db2.gz UMFMKAPTGLACHE-CQSZACIVSA-N -1 3 299.370 3.242 20 0 CGADHM Cc1ncc(CN[C@@H](C)c2ccc(C(C)C)cc2)c(=O)[n-]1 ZINC000346812038 218022545 /nfs/dbraw/zinc/02/25/45/218022545.db2.gz VYGIGYYYVAHFFL-LBPRGKRZSA-N -1 3 285.391 3.465 20 0 CGADHM Cc1cc(C(=O)[N-]c2nnc(C)s2)c(C(F)(F)F)o1 ZINC000274393824 378825264 /nfs/dbraw/zinc/82/52/64/378825264.db2.gz BSNHGMPUCJKBNP-UHFFFAOYSA-N -1 3 291.254 3.019 20 0 CGADHM Cc1ccc2[n-]cc(C(=O)N(C)CC3CCCC3)c(=O)c2c1 ZINC000347053668 218105580 /nfs/dbraw/zinc/10/55/80/218105580.db2.gz XMDOKSHYSPBDJK-UHFFFAOYSA-N -1 3 298.386 3.099 20 0 CGADHM O=C(Nc1ccccc1[O-])[C@@H]1CCCCN1C1CCCC1 ZINC000370471074 379022416 /nfs/dbraw/zinc/02/24/16/379022416.db2.gz STPCSUFFJYRGLN-HNNXBMFYSA-N -1 3 288.391 3.128 20 0 CGADHM CC1(C)CCCC[C@H]1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000348805562 379061547 /nfs/dbraw/zinc/06/15/47/379061547.db2.gz SLRPQTFBVBIQNS-ZDUSSCGKSA-N -1 3 299.378 3.022 20 0 CGADHM CC1(C)CCCC[C@H]1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000348805562 379061551 /nfs/dbraw/zinc/06/15/51/379061551.db2.gz SLRPQTFBVBIQNS-ZDUSSCGKSA-N -1 3 299.378 3.022 20 0 CGADHM Cc1oc([C@H](C)N2CC(C)(C)C[C@H]2C)cc1C(=O)[O-] ZINC000568062601 322191284 /nfs/dbraw/zinc/19/12/84/322191284.db2.gz JBXJBGNFIADXLS-ZJUUUORDSA-N -1 3 265.353 3.468 20 0 CGADHM CC[C@H]1OCCC[C@H]1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000277232241 379105955 /nfs/dbraw/zinc/10/59/55/379105955.db2.gz BNVBNYDXZASHMK-ZWNOBZJWSA-N -1 3 283.755 3.189 20 0 CGADHM COc1cc(C(=O)N2CC=C(C(C)(C)C)CC2)ccc1[O-] ZINC000277200115 379095604 /nfs/dbraw/zinc/09/56/04/379095604.db2.gz XVMRGQSLGLZGBJ-UHFFFAOYSA-N -1 3 289.375 3.219 20 0 CGADHM Cc1ccc(C(=O)Cc2nc(=O)c3c(C)csc3[n-]2)o1 ZINC000348992737 379129444 /nfs/dbraw/zinc/12/94/44/379129444.db2.gz FNUGQMNFVNBHIN-UHFFFAOYSA-N -1 3 288.328 3.032 20 0 CGADHM C[C@H](CCCC(=O)[O-])NCc1cc(Cl)ccc1F ZINC000277545462 379184446 /nfs/dbraw/zinc/18/44/46/379184446.db2.gz ZXLLAKXLIWKGPU-SECBINFHSA-N -1 3 273.735 3.212 20 0 CGADHM Cc1ccc(NC(=O)c2cc3nccnc3cc2F)c([O-])c1 ZINC000349301270 379221871 /nfs/dbraw/zinc/22/18/71/379221871.db2.gz VVPGQJZMMUJIGH-UHFFFAOYSA-N -1 3 297.289 3.035 20 0 CGADHM O=C(c1cc([O-])ccc1C(F)(F)F)N1CCC2(CC2)CC1 ZINC000373540621 379297631 /nfs/dbraw/zinc/29/76/31/379297631.db2.gz ZDSYNAZVKYGYDF-UHFFFAOYSA-N -1 3 299.292 3.427 20 0 CGADHM CCC[C@@]1(COC)CCCN1C(=O)c1ccc([O-])c(C)c1 ZINC000278142183 379299215 /nfs/dbraw/zinc/29/92/15/379299215.db2.gz WOKJKIRGXNMSFH-KRWDZBQOSA-N -1 3 291.391 3.122 20 0 CGADHM c1ccc([C@H]([N-]c2nnc(C3CC3)o2)[C@@H]2CCCO2)cc1 ZINC000278465052 379395878 /nfs/dbraw/zinc/39/58/78/379395878.db2.gz TUYJEOFNEHDSFN-KBPBESRZSA-N -1 3 285.347 3.279 20 0 CGADHM Cc1ccc(NC(=O)c2cc(C(C)(C)C)on2)c([O-])c1 ZINC000266636180 190272583 /nfs/dbraw/zinc/27/25/83/190272583.db2.gz WBXCJHOTFDFTTR-UHFFFAOYSA-N -1 3 274.320 3.238 20 0 CGADHM O=C(c1csc(=O)[n-]1)N(CC1CCCCC1)C1CC1 ZINC000348961232 296297267 /nfs/dbraw/zinc/29/72/67/296297267.db2.gz FHRAXOFLXBYSRG-UHFFFAOYSA-N -1 3 280.393 3.034 20 0 CGADHM CC(C)Oc1ccc(NC(=O)c2cc(C(F)F)[n-]n2)cc1 ZINC000639539327 379462037 /nfs/dbraw/zinc/46/20/37/379462037.db2.gz HYOMGTLXZZQCDM-UHFFFAOYSA-N -1 3 295.289 3.387 20 0 CGADHM COc1ccc([O-])c(C(=O)N(CC2CC2)CC2CCC2)c1 ZINC000280072734 379599061 /nfs/dbraw/zinc/59/90/61/379599061.db2.gz NDESIOGRHJKRAC-UHFFFAOYSA-N -1 3 289.375 3.053 20 0 CGADHM [O-]c1ccc(-c2noc(-c3cnns3)n2)c2ccccc12 ZINC000350579120 379564280 /nfs/dbraw/zinc/56/42/80/379564280.db2.gz KZTNEOUIEZFWIB-UHFFFAOYSA-N -1 3 296.311 3.114 20 0 CGADHM C[C@@H]1CC(c2nc(-c3ccc([O-])cc3)no2)C[C@@H](C)O1 ZINC000350576767 379565210 /nfs/dbraw/zinc/56/52/10/379565210.db2.gz INNCIEDVKCBFLY-NXEZZACHSA-N -1 3 274.320 3.113 20 0 CGADHM COc1ccc([O-])c(-c2nc(-c3cc(C)oc3C)no2)c1 ZINC000351043793 379629623 /nfs/dbraw/zinc/62/96/23/379629623.db2.gz QIDRHSOHDNXGMZ-UHFFFAOYSA-N -1 3 286.287 3.328 20 0 CGADHM C[C@H]1CC=CC[C@@H]1C(=O)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000351678125 379735889 /nfs/dbraw/zinc/73/58/89/379735889.db2.gz WIAVOXRZDHBEDO-JSGCOSHPSA-N -1 3 281.359 3.039 20 0 CGADHM CC[C@H](C)n1ncc(NC(=O)c2cc(C(F)F)[n-]n2)c1C ZINC000640178063 379739898 /nfs/dbraw/zinc/73/98/98/379739898.db2.gz JXYQXIDJLYSVHN-ZETCQYMHSA-N -1 3 297.309 3.076 20 0 CGADHM O=C(c1cc([O-])ccc1Cl)N1CC[C@@H](c2ccco2)C1 ZINC000377939862 379758669 /nfs/dbraw/zinc/75/86/69/379758669.db2.gz KEFNKYPJBKUKEA-SNVBAGLBSA-N -1 3 291.734 3.268 20 0 CGADHM CC(C)n1ccc(NC(=O)c2cc(Cl)c(Cl)[n-]2)n1 ZINC000280697521 379765520 /nfs/dbraw/zinc/76/55/20/379765520.db2.gz HIVRBUADUNOWFJ-UHFFFAOYSA-N -1 3 287.150 3.351 20 0 CGADHM Cc1ccc(C(C)(C)CC(=O)NCc2ncccc2[O-])cc1 ZINC000352502618 379838602 /nfs/dbraw/zinc/83/86/02/379838602.db2.gz WVXHVKFREKFCOP-UHFFFAOYSA-N -1 3 298.386 3.080 20 0 CGADHM CN(Cc1cccc(C(=O)[O-])c1Cl)CC1CCC1 ZINC000381895611 379869854 /nfs/dbraw/zinc/86/98/54/379869854.db2.gz LYOCUZDKJWOJMN-UHFFFAOYSA-N -1 3 267.756 3.270 20 0 CGADHM COc1ccc(C(=O)N(C)C[C@H](C)C(C)(C)C)c([O-])c1 ZINC000399563854 379941612 /nfs/dbraw/zinc/94/16/12/379941612.db2.gz BTABSLKXSKBTFI-NSHDSACASA-N -1 3 279.380 3.155 20 0 CGADHM [O-]c1cc(CNc2ccccn2)cc(C(F)(F)F)c1 ZINC000352830495 379989359 /nfs/dbraw/zinc/98/93/59/379989359.db2.gz AOOJXCDRLBOGTE-UHFFFAOYSA-N -1 3 268.238 3.418 20 0 CGADHM [O-]c1cccnc1CNCc1ccc(-c2ccccc2)o1 ZINC000347885746 218391195 /nfs/dbraw/zinc/39/11/95/218391195.db2.gz ZIZZHSPLXYTDKF-UHFFFAOYSA-N -1 3 280.327 3.337 20 0 CGADHM COc1ccc(F)cc1CNCc1c(F)ccc([O-])c1F ZINC000352975368 380063818 /nfs/dbraw/zinc/06/38/18/380063818.db2.gz UMQVHLGAXPEVQW-UHFFFAOYSA-N -1 3 297.276 3.108 20 0 CGADHM O=C(Nc1ccc(Br)cc1[O-])c1ccoc1 ZINC000642323711 380164111 /nfs/dbraw/zinc/16/41/11/380164111.db2.gz MBNFJFMCKSCPBE-UHFFFAOYSA-N -1 3 282.093 3.000 20 0 CGADHM C[C@@H]1C[C@@H](C)N(Cc2nc3c4ccccc4oc3c(=O)[n-]2)C1 ZINC000354204345 380362444 /nfs/dbraw/zinc/36/24/44/380362444.db2.gz FLMVVJUQMPKDFS-GHMZBOCLSA-N -1 3 297.358 3.312 20 0 CGADHM O=C(Nc1ncccc1[O-])[C@@H]1CCC[C@H]2CCCC[C@H]21 ZINC000354612215 380501585 /nfs/dbraw/zinc/50/15/85/380501585.db2.gz KKMXVMYAHJMHDY-JHJVBQTASA-N -1 3 274.364 3.332 20 0 CGADHM [O-]c1cc(CN2CCC[C@H]2CF)cc(C(F)(F)F)c1 ZINC000354520617 380467998 /nfs/dbraw/zinc/46/79/98/380467998.db2.gz KUWMFCTUBUEOEG-NSHDSACASA-N -1 3 277.261 3.345 20 0 CGADHM CCc1nc(CNC[C@]2(CC(=O)[O-])CC[C@@H](C)C2)cs1 ZINC000417564035 380640481 /nfs/dbraw/zinc/64/04/81/380640481.db2.gz KFPSNVCJNYCEPN-IAQYHMDHSA-N -1 3 296.436 3.076 20 0 CGADHM COc1cccc(Cl)c1CNCCCC(C)(C)C(=O)[O-] ZINC000417571853 380641263 /nfs/dbraw/zinc/64/12/63/380641263.db2.gz UATZZEGFZOKZLC-UHFFFAOYSA-N -1 3 299.798 3.329 20 0 CGADHM CCCc1csc(CN[C@H]2CCCC[C@]2(C)C(=O)[O-])n1 ZINC000417576134 380643339 /nfs/dbraw/zinc/64/33/39/380643339.db2.gz JYSMDAGYDJXDGB-WFASDCNBSA-N -1 3 296.436 3.219 20 0 CGADHM C[C@H](CNCc1cc(C(F)(F)F)ccc1Cl)C(=O)[O-] ZINC000417584945 380644969 /nfs/dbraw/zinc/64/49/69/380644969.db2.gz NSBXOFAIUZQFMT-SSDOTTSWSA-N -1 3 295.688 3.169 20 0 CGADHM CSc1ccc(N(C)Cc2nc(C)ccc2[O-])cc1 ZINC000355364270 380661342 /nfs/dbraw/zinc/66/13/42/380661342.db2.gz KZVDAGIMPJJCHG-UHFFFAOYSA-N -1 3 274.389 3.454 20 0 CGADHM COc1ccc(CN(C)C(C)C)c(Br)c1[O-] ZINC000355365118 380662252 /nfs/dbraw/zinc/66/22/52/380662252.db2.gz BTTABTDAMNGGES-UHFFFAOYSA-N -1 3 288.185 3.004 20 0 CGADHM Cc1nc(C)c(CNCc2ccc(C(=O)[O-])c(C)c2)s1 ZINC000417667062 380663431 /nfs/dbraw/zinc/66/34/31/380663431.db2.gz HKGDLLFVUAYODK-UHFFFAOYSA-N -1 3 290.388 3.056 20 0 CGADHM COc1cc(CNCc2ccc(C(=O)[O-])c(C)c2)ccc1C ZINC000417665386 380663871 /nfs/dbraw/zinc/66/38/71/380663871.db2.gz CKHIQBJDLUICFK-UHFFFAOYSA-N -1 3 299.370 3.300 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2ccc3c(c2)CCC=C3)n1 ZINC000355491703 380687439 /nfs/dbraw/zinc/68/74/39/380687439.db2.gz OFMHJRIEGZVISI-UHFFFAOYSA-N -1 3 280.327 3.307 20 0 CGADHM C[C@H](CC(C)(C)NCc1cc(Cl)ccc1F)C(=O)[O-] ZINC000417631015 380658355 /nfs/dbraw/zinc/65/83/55/380658355.db2.gz DLLLWRRZEYCIAZ-SECBINFHSA-N -1 3 287.762 3.458 20 0 CGADHM Cc1ccc([O-])c(CN2CCC[C@H](CC(F)(F)F)C2)n1 ZINC000421392655 380940707 /nfs/dbraw/zinc/94/07/07/380940707.db2.gz QVNCFOZVNNJWJX-LLVKDONJSA-N -1 3 288.313 3.260 20 0 CGADHM CCc1cc(=O)[n-]c(CSCc2ccccc2OC)n1 ZINC000357355810 381122662 /nfs/dbraw/zinc/12/26/62/381122662.db2.gz SQNNWTNPVLNIAQ-UHFFFAOYSA-N -1 3 290.388 3.187 20 0 CGADHM CCO[C@@H](CCN=c1[n-]cc(C(F)(F)F)s1)C(C)C ZINC000357687289 381252155 /nfs/dbraw/zinc/25/21/55/381252155.db2.gz VMUQQJADIJCZAF-VIFPVBQESA-N -1 3 296.358 3.447 20 0 CGADHM O=C(c1ccc(O)cc1[O-])N1CCC[C@H](c2ccccc2)C1 ZINC000334851019 207184742 /nfs/dbraw/zinc/18/47/42/207184742.db2.gz KINOCIKWQZOQHR-AWEZNQCLSA-N -1 3 297.354 3.118 20 0 CGADHM C[C@@H](c1ccccc1)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000227031176 542291474 /nfs/dbraw/zinc/29/14/74/542291474.db2.gz HADJTKXVSQUFHS-GUYCJALGSA-N -1 3 281.355 3.432 20 0 CGADHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Cl)C1CC1 ZINC000362376953 381962809 /nfs/dbraw/zinc/96/28/09/381962809.db2.gz VQMQPZQDJIFFDT-ZETCQYMHSA-N -1 3 294.203 3.070 20 0 CGADHM CCc1cc(C(=O)N2CCCC[C@@H](SC)C2)ccc1[O-] ZINC000362909353 382144980 /nfs/dbraw/zinc/14/49/80/382144980.db2.gz SGXQOSKAGYPMBR-CQSZACIVSA-N -1 3 293.432 3.312 20 0 CGADHM O=C(c1cccc([O-])c1)N(CC1CC1)CC1CCC1 ZINC000280093592 194699479 /nfs/dbraw/zinc/69/94/79/194699479.db2.gz OSGVJXAPBKUGKJ-UHFFFAOYSA-N -1 3 259.349 3.045 20 0 CGADHM CCc1nc(CNC[C@]2(CC(=O)[O-])CC[C@H](C)C2)cs1 ZINC000417564037 288624527 /nfs/dbraw/zinc/62/45/27/288624527.db2.gz KFPSNVCJNYCEPN-XHDPSFHLSA-N -1 3 296.436 3.076 20 0 CGADHM CC(C)CCc1nnc(NCc2c(F)ccc([O-])c2F)o1 ZINC000280893692 195018505 /nfs/dbraw/zinc/01/85/05/195018505.db2.gz DIYRTLBJDLTRFC-UHFFFAOYSA-N -1 3 297.305 3.254 20 0 CGADHM Cc1noc(C)c1[N-]C(=O)c1cc(Br)oc1C ZINC000335155400 207794559 /nfs/dbraw/zinc/79/45/59/207794559.db2.gz MHQBLOHHUPQMRM-UHFFFAOYSA-N -1 3 299.124 3.208 20 0 CGADHM CSCCON=C([O-])Nc1c(C)cccc1Cl ZINC000281028971 195075073 /nfs/dbraw/zinc/07/50/73/195075073.db2.gz MYTJTFCUKVSPNX-UHFFFAOYSA-N -1 3 274.773 3.065 20 0 CGADHM CSCCO[N-]C(=O)Nc1c(C)cccc1Cl ZINC000281028971 195075075 /nfs/dbraw/zinc/07/50/75/195075075.db2.gz MYTJTFCUKVSPNX-UHFFFAOYSA-N -1 3 274.773 3.065 20 0 CGADHM CO[C@@H]1CN(C(=O)c2cc([O-])c3ccccc3c2)CC[C@H]1C ZINC000281261317 542383455 /nfs/dbraw/zinc/38/34/55/542383455.db2.gz QROWQTPPFGLMDP-SJKOYZFVSA-N -1 3 299.370 3.042 20 0 CGADHM C[C@@H]1C[C@@H](CNC(=O)c2cc([O-])c3ccccc3c2)CCO1 ZINC000281536775 542384649 /nfs/dbraw/zinc/38/46/49/542384649.db2.gz KGVJLIPGWHLODV-OLZOCXBDSA-N -1 3 299.370 3.090 20 0 CGADHM CO[C@@H]1CCN(C(=O)c2cc([O-])c3ccccc3c2)[C@@H](C)C1 ZINC000281876260 542384965 /nfs/dbraw/zinc/38/49/65/542384965.db2.gz WWNHKUVUIMBAMB-SWLSCSKDSA-N -1 3 299.370 3.185 20 0 CGADHM C[C@@H]1CCCN(C(=O)c2cc([O-])ccc2C(F)(F)F)C1 ZINC000188831468 296379887 /nfs/dbraw/zinc/37/98/87/296379887.db2.gz BOJSORDEGDBYOG-SECBINFHSA-N -1 3 287.281 3.283 20 0 CGADHM CSc1nsc([N-]C(=O)c2coc3ccccc32)n1 ZINC000175527698 533097366 /nfs/dbraw/zinc/09/73/66/533097366.db2.gz SLAATRQYNPKZOS-UHFFFAOYSA-N -1 3 291.357 3.259 20 0 CGADHM CCc1ccc(O)c([N-]S(=O)(=O)C2=CCCCC2)c1 ZINC000281172732 195134678 /nfs/dbraw/zinc/13/46/78/195134678.db2.gz MWGVEMJFFNLQMS-UHFFFAOYSA-N -1 3 281.377 3.154 20 0 CGADHM COC1CCC(NC(=O)c2cc([O-])c3ccccc3c2)CC1 ZINC000335140919 542464974 /nfs/dbraw/zinc/46/49/74/542464974.db2.gz ZUCIIZBKLQNNAR-UHFFFAOYSA-N -1 3 299.370 3.233 20 0 CGADHM O=C(Cc1ccco1)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000340685514 542491781 /nfs/dbraw/zinc/49/17/81/542491781.db2.gz SEOKTOCEZYVPGZ-UHFFFAOYSA-N -1 3 285.221 3.185 20 0 CGADHM COc1ccc(NC(=O)c2cc([O-])ccc2Cl)c(O)c1 ZINC000349206982 542524421 /nfs/dbraw/zinc/52/44/21/542524421.db2.gz DVYGHLGVMVQWJA-UHFFFAOYSA-N -1 3 293.706 3.012 20 0 CGADHM C[C@H]1CCCc2ncc(-c3nc(-c4ccc([O-])cc4)no3)n21 ZINC000351429064 542546290 /nfs/dbraw/zinc/54/62/90/542546290.db2.gz CAWADCCTEIQFCP-JTQLQIEISA-N -1 3 296.330 3.203 20 0 CGADHM COC[C@H](C)[C@@H](C)C(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000487206212 285367035 /nfs/dbraw/zinc/36/70/35/285367035.db2.gz ZKZNPJIJNRYSFG-FRRDWIJNSA-N -1 3 291.391 3.151 20 0 CGADHM CO[C@H]1CCN(C(=O)c2ccc(C(C)C)cc2[O-])[C@H](C)C1 ZINC000281823575 195397419 /nfs/dbraw/zinc/39/74/19/195397419.db2.gz RHMGXLZJFOGVHE-OCCSQVGLSA-N -1 3 291.391 3.155 20 0 CGADHM [O-]c1cc(F)cc(CN[C@@H]2CCCc3occc32)c1 ZINC000184135286 285381364 /nfs/dbraw/zinc/38/13/64/285381364.db2.gz SYXRONJQGVNFKF-CQSZACIVSA-N -1 3 261.296 3.292 20 0 CGADHM COc1ccc(C(=O)N(C)Cc2cccc(C)c2C)c([O-])c1 ZINC000436803690 533282640 /nfs/dbraw/zinc/28/26/40/533282640.db2.gz QNCKFDDXTOUHLX-UHFFFAOYSA-N -1 3 299.370 3.290 20 0 CGADHM COc1cccc(C(=O)N(C)Cc2cc(C)cc(C)c2)c1[O-] ZINC000437005126 533394325 /nfs/dbraw/zinc/39/43/25/533394325.db2.gz RTIKSVVQRRBJJI-UHFFFAOYSA-N -1 3 299.370 3.290 20 0 CGADHM C[C@@H](CCCC(F)(F)F)NC(=O)c1ccccc1[O-] ZINC000436807156 533530142 /nfs/dbraw/zinc/53/01/42/533530142.db2.gz KFGKFNKNFSWDGZ-VIFPVBQESA-N -1 3 275.270 3.243 20 0 CGADHM Cc1ccc(CN2C[C@@H](C(=O)[O-])CC[C@@H]2C)c(Cl)c1 ZINC000397514827 542617470 /nfs/dbraw/zinc/61/74/70/542617470.db2.gz ZPOVFDBHEAKDTR-AAEUAGOBSA-N -1 3 281.783 3.334 20 0 CGADHM Cc1cccc2sc(C(=O)[N-]c3nc[nH]n3)c(Cl)c21 ZINC000026258463 391951198 /nfs/dbraw/zinc/95/11/98/391951198.db2.gz GXZFCGKSMDYEGS-UHFFFAOYSA-N -1 3 292.751 3.234 20 0 CGADHM C[C@H](Oc1ccc2c(c1)CCC2)C(=O)Nc1ccccc1[O-] ZINC000033226574 391972673 /nfs/dbraw/zinc/97/26/73/391972673.db2.gz KLWBGWQBIPCYJO-LBPRGKRZSA-N -1 3 297.354 3.287 20 0 CGADHM CC(C)(C)C1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000050348893 392063038 /nfs/dbraw/zinc/06/30/38/392063038.db2.gz ZFDVYWKBMGHZNM-UHFFFAOYSA-N -1 3 261.365 3.291 20 0 CGADHM Cc1ccc(C(=O)Nc2ccc(F)c(C)c2)c([O-])c1 ZINC000061120434 392125385 /nfs/dbraw/zinc/12/53/85/392125385.db2.gz JBAAIRLBGQMMPP-UHFFFAOYSA-N -1 3 259.280 3.400 20 0 CGADHM Cc1cccc(C(=O)N2CCCc3ccccc3C2)c1[O-] ZINC000062946114 392134696 /nfs/dbraw/zinc/13/46/96/392134696.db2.gz ZXPGHUBOGKXKOK-UHFFFAOYSA-N -1 3 281.355 3.289 20 0 CGADHM CCCO[C@H]1CCCN(C(=O)c2ccc(C)cc2[O-])CC1 ZINC000108233320 392338851 /nfs/dbraw/zinc/33/88/51/392338851.db2.gz LCEVYCMTFHHORK-AWEZNQCLSA-N -1 3 291.391 3.122 20 0 CGADHM CCC(=O)c1ccc(C(=O)Nc2ccc(OC)cc2[O-])cc1 ZINC000442700776 542666055 /nfs/dbraw/zinc/66/60/55/542666055.db2.gz SJKGYAQQFQENAL-UHFFFAOYSA-N -1 3 299.326 3.246 20 0 CGADHM CC[C@@H](CC(=O)Nc1ccc(OC)cc1[O-])C(C)C ZINC000443556034 542666415 /nfs/dbraw/zinc/66/64/15/542666415.db2.gz FXWIELPWBKLIES-NSHDSACASA-N -1 3 265.353 3.412 20 0 CGADHM CCC(CC)[C@H](C)C(=O)Nc1ccc(OC)cc1[O-] ZINC000443577655 542667658 /nfs/dbraw/zinc/66/76/58/542667658.db2.gz RJEKIFFEYKUGDW-JTQLQIEISA-N -1 3 265.353 3.412 20 0 CGADHM Cc1nn(C)c(C)c1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000471644778 542701529 /nfs/dbraw/zinc/70/15/29/542701529.db2.gz CSNGUFSNFLIKRT-UHFFFAOYSA-N -1 3 295.342 3.148 20 0 CGADHM CC[C@H](C)c1cc(C(=O)[N-]c2cc(Cl)ccn2)on1 ZINC000163172579 392602371 /nfs/dbraw/zinc/60/23/71/392602371.db2.gz MOZLMYYLOCIACY-QMMMGPOBSA-N -1 3 279.727 3.489 20 0 CGADHM CCc1ccc([C@@H](C)NC(=O)c2ccc3n[n-]nc3c2)cc1 ZINC000170224431 392612849 /nfs/dbraw/zinc/61/28/49/392612849.db2.gz HSFURPZWTZNNDC-LLVKDONJSA-N -1 3 294.358 3.011 20 0 CGADHM C[C@@H](CCC(=O)[O-])NCc1cccc(Cl)c1Cl ZINC000309912674 392658761 /nfs/dbraw/zinc/65/87/61/392658761.db2.gz MTCWGPFHAALPTO-QMMMGPOBSA-N -1 3 276.163 3.336 20 0 CGADHM Cc1ccc(NC(=O)/C=C/c2cncc([O-])c2)c(C)c1 ZINC000179381227 392700058 /nfs/dbraw/zinc/70/00/58/392700058.db2.gz XYVGADTUTVXIGZ-GQCTYLIASA-N -1 3 268.316 3.056 20 0 CGADHM CCc1ccc(C(=O)Nc2cccc3cnncc32)c([O-])c1 ZINC000647619628 392773315 /nfs/dbraw/zinc/77/33/15/392773315.db2.gz SLBHNHADTIPJFE-UHFFFAOYSA-N -1 3 293.326 3.150 20 0 CGADHM Cc1ccc([O-])c(C(=O)N[C@@H]2CCc3cc(F)ccc32)c1 ZINC000511586128 392841212 /nfs/dbraw/zinc/84/12/12/392841212.db2.gz FNPXVKJUMLECDF-OAHLLOKOSA-N -1 3 285.318 3.257 20 0 CGADHM C[C@H]1CCC[C@@H](CC(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)C1 ZINC000647796084 392800347 /nfs/dbraw/zinc/80/03/47/392800347.db2.gz HXTAOHFJCISGIA-WDEREUQCSA-N -1 3 287.363 3.423 20 0 CGADHM Cc1cc(C(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)sc1C ZINC000647802795 392804615 /nfs/dbraw/zinc/80/46/15/392804615.db2.gz UNYYXCXAXGINJL-UHFFFAOYSA-N -1 3 287.344 3.199 20 0 CGADHM [O-]c1ccc(F)c(CN[C@H]2C[C@H]2Cc2ccccc2)c1F ZINC000511145220 392830199 /nfs/dbraw/zinc/83/01/99/392830199.db2.gz LNJXBSYETXLPRY-DOMZBBRYSA-N -1 3 289.325 3.391 20 0 CGADHM CC1(C)CCCC[C@H]1C(=O)NCc1ccc([O-])c(F)c1 ZINC000194367977 392916573 /nfs/dbraw/zinc/91/65/73/392916573.db2.gz HOXODIGWBWZVTA-LBPRGKRZSA-N -1 3 279.355 3.364 20 0 CGADHM O=C(NCc1ncccc1F)c1cc([O-])c2ccccc2c1 ZINC000527264260 542741564 /nfs/dbraw/zinc/74/15/64/542741564.db2.gz GURMMAJWVKXXPP-UHFFFAOYSA-N -1 3 296.301 3.010 20 0 CGADHM Cc1oc([C@@H](C)N(C)CC2CCC2)cc1C(=O)[O-] ZINC000516872579 542736281 /nfs/dbraw/zinc/73/62/81/542736281.db2.gz GHGJTPWDPRBZBJ-SECBINFHSA-N -1 3 251.326 3.079 20 0 CGADHM O=C(N[C@@H]1C[C@@H]1c1ccccc1)c1cc([O-])ccc1Cl ZINC000236608151 393032712 /nfs/dbraw/zinc/03/27/12/393032712.db2.gz DNLDXVNWGJENNV-IUODEOHRSA-N -1 3 287.746 3.332 20 0 CGADHM CC(C)N(Cc1cc([O-])cc(F)c1)Cc1ccccn1 ZINC000546741809 393071850 /nfs/dbraw/zinc/07/18/50/393071850.db2.gz ICNVUQYNNYMTHY-UHFFFAOYSA-N -1 3 274.339 3.337 20 0 CGADHM O=C(CCCc1ccc([O-])c(F)c1)N1CC[C@H](C2CC2)C1 ZINC000469088039 393176362 /nfs/dbraw/zinc/17/63/62/393176362.db2.gz WYKATAHANBIKKS-AWEZNQCLSA-N -1 3 291.366 3.113 20 0 CGADHM CC(C)CCNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000468550986 393151815 /nfs/dbraw/zinc/15/18/15/393151815.db2.gz BWBATUDOMKAVLO-UHFFFAOYSA-N -1 3 267.344 3.016 20 0 CGADHM [O-]c1cccc(CN2CCC([C@H]3CCOC3)CC2)c1Cl ZINC000646158503 393232818 /nfs/dbraw/zinc/23/28/18/393232818.db2.gz OQNTXVUCCLYCCA-AWEZNQCLSA-N -1 3 295.810 3.294 20 0 CGADHM O=C(c1ccccc1[O-])N1CCCC[C@@H]1C1CCC1 ZINC000648705980 393214693 /nfs/dbraw/zinc/21/46/93/393214693.db2.gz WKXWCFNURRUMOK-CQSZACIVSA-N -1 3 259.349 3.187 20 0 CGADHM CC(C)CCC[C@@H](C)NC(=O)c1ccc2[nH][n-]c(=O)c2c1 ZINC000646623069 393308363 /nfs/dbraw/zinc/30/83/63/393308363.db2.gz VVMKTLRDIAREDN-LLVKDONJSA-N -1 3 289.379 3.213 20 0 CGADHM Cc1ccc(C(=O)N2CC(C)(CC(F)F)C2)c([O-])c1C ZINC000649016444 393319455 /nfs/dbraw/zinc/31/94/55/393319455.db2.gz FIMJGHKXLYOCLZ-UHFFFAOYSA-N -1 3 283.318 3.126 20 0 CGADHM CCCC[C@H](CCC)CNC(=O)NCc1ncccc1[O-] ZINC000472061631 393330068 /nfs/dbraw/zinc/33/00/68/393330068.db2.gz DHECARFLNBUWJZ-ZDUSSCGKSA-N -1 3 293.411 3.193 20 0 CGADHM Cc1ccc(C(=O)N2CCSC[C@H]2C2CCC2)c([O-])c1 ZINC000416119010 393268171 /nfs/dbraw/zinc/26/81/71/393268171.db2.gz XVTWBHKPEBNLFO-AWEZNQCLSA-N -1 3 291.416 3.058 20 0 CGADHM O=C(Nc1ncccc1[O-])[C@H]1CCCC[C@H]1C(F)(F)F ZINC000273029666 393268380 /nfs/dbraw/zinc/26/83/80/393268380.db2.gz DGXNVLZUAQOQCG-DTWKUNHWSA-N -1 3 288.269 3.094 20 0 CGADHM COc1cccc(SC)c1[N-]C(=O)c1c(C)noc1C ZINC000416121165 393268447 /nfs/dbraw/zinc/26/84/47/393268447.db2.gz JWBSVPSZZQLXSM-UHFFFAOYSA-N -1 3 292.360 3.274 20 0 CGADHM Cc1nc(C(C)C)oc1CNC(=O)c1cc(C)ccc1[O-] ZINC000646363411 393269483 /nfs/dbraw/zinc/26/94/83/393269483.db2.gz YZLYCJNSQWXTRM-UHFFFAOYSA-N -1 3 288.347 3.050 20 0 CGADHM O=c1cc(CSCC2CC(F)(F)C2)nc(C2CC2)[n-]1 ZINC000419513124 393397954 /nfs/dbraw/zinc/39/79/54/393397954.db2.gz LIBHBRPPZUFMIU-UHFFFAOYSA-N -1 3 286.347 3.338 20 0 CGADHM CC(C)[C@H]1N(C(=O)c2cccc([O-])c2)CC12CC=CC2 ZINC000649146562 393358782 /nfs/dbraw/zinc/35/87/82/393358782.db2.gz UJLKGEZWVPTNQX-OAHLLOKOSA-N -1 3 271.360 3.209 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)N1CCCC[C@@H]1C1CCC1 ZINC000649196714 393371325 /nfs/dbraw/zinc/37/13/25/393371325.db2.gz UKYPKHSLTALXDM-OAHLLOKOSA-N -1 3 291.366 3.255 20 0 CGADHM CCC[C@](C)(CC)C(=O)N=c1[nH][n-]c(C(C)C)c1C ZINC000649229813 393377914 /nfs/dbraw/zinc/37/79/14/393377914.db2.gz NXKKFWJQNGDQND-HNNXBMFYSA-N -1 3 265.401 3.418 20 0 CGADHM CC[C@@H]1CCC[C@H]1C(=O)N=c1[nH][n-]c(C(C)C)c1C ZINC000649229264 393378013 /nfs/dbraw/zinc/37/80/13/393378013.db2.gz ULJGRZSSTCRGST-VXGBXAGGSA-N -1 3 263.385 3.028 20 0 CGADHM CC[C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1[O-])[C@@H](C)O ZINC000420132723 393430619 /nfs/dbraw/zinc/43/06/19/393430619.db2.gz ZHPIUBOWYXUBKR-ZYHUDNBSSA-N -1 3 279.380 3.035 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)N2CC[C@@H](C3CCCC3)C2)n1 ZINC000420962811 393559488 /nfs/dbraw/zinc/55/94/88/393559488.db2.gz LKJAAFTUIKHHST-TZMCWYRMSA-N -1 3 275.396 3.064 20 0 CGADHM Cc1cccc2c(=O)c(C(=O)N(C)[C@@H]3CC[C@@H](C)C3)c[n-]c12 ZINC000430696646 393587450 /nfs/dbraw/zinc/58/74/50/393587450.db2.gz JXFTXANANQZAMU-DGCLKSJQSA-N -1 3 298.386 3.097 20 0 CGADHM Cc1ncoc1C(=O)[N-]c1nc(-c2ccccc2F)co1 ZINC000360942341 393620237 /nfs/dbraw/zinc/62/02/37/393620237.db2.gz ORGOVXGHSKFNTJ-UHFFFAOYSA-N -1 3 287.250 3.029 20 0 CGADHM CC(C)[C@@H](C(=O)[O-])[C@H](C)NCc1ccc(F)cc1Cl ZINC000424628737 393683485 /nfs/dbraw/zinc/68/34/85/393683485.db2.gz XAAZPLQLDBVZOH-TVQRCGJNSA-N -1 3 287.762 3.314 20 0 CGADHM C[C@H](CCNC(=O)/C=C\c1cncc([O-])c1)c1ccccc1 ZINC000492595281 393759331 /nfs/dbraw/zinc/75/93/31/393759331.db2.gz MZPJHDLPOSXPKR-WBTMPAOCSA-N -1 3 296.370 3.110 20 0 CGADHM O=C(/C=C/c1ccncc1)Nc1ccc(Cl)cc1[O-] ZINC000492303747 393717245 /nfs/dbraw/zinc/71/72/45/393717245.db2.gz JCGRVFZBNZXMPC-DAFODLJHSA-N -1 3 274.707 3.093 20 0 CGADHM Cc1cccnc1/C=C/C(=O)Nc1ccc(Cl)cc1[O-] ZINC000492623026 393764311 /nfs/dbraw/zinc/76/43/11/393764311.db2.gz KRSWJEABPFGRBL-VOTSOKGWSA-N -1 3 288.734 3.401 20 0 CGADHM CCSCCCc1noc(-c2cccc(C)c2[O-])n1 ZINC000445764759 393821640 /nfs/dbraw/zinc/82/16/40/393821640.db2.gz JSENDSOSCBNYCX-UHFFFAOYSA-N -1 3 278.377 3.436 20 0 CGADHM CC(C)CCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000502357196 393873350 /nfs/dbraw/zinc/87/33/50/393873350.db2.gz FKEYMAWCKJGUEN-UHFFFAOYSA-N -1 3 293.791 3.194 20 0 CGADHM COCc1csc(C(=O)[N-]c2nnc(C(C)C)s2)c1 ZINC000666969866 542830553 /nfs/dbraw/zinc/83/05/53/542830553.db2.gz CYQIFYJJVKSDGF-UHFFFAOYSA-N -1 3 297.405 3.122 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)N[C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000449954719 393951175 /nfs/dbraw/zinc/95/11/75/393951175.db2.gz WELOMXGGXBBPQR-MGPQQGTHSA-N -1 3 291.366 3.159 20 0 CGADHM CC[C@H](CC(F)(F)F)C(=O)Nc1cc(F)ccc1[O-] ZINC000450041222 393967760 /nfs/dbraw/zinc/96/77/60/393967760.db2.gz HWUHSASDCKVYJW-SSDOTTSWSA-N -1 3 279.233 3.448 20 0 CGADHM C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)Cc1ccc([O-])c(F)c1 ZINC000450039468 393967970 /nfs/dbraw/zinc/96/79/70/393967970.db2.gz CTHZHVIGPOCYPY-RISCZKNCSA-N -1 3 293.382 3.405 20 0 CGADHM O=C(C[C@@H]1CC[C@H]2C[C@H]21)N1CCCc2cccc([O-])c21 ZINC000450511790 394008913 /nfs/dbraw/zinc/00/89/13/394008913.db2.gz NTBVGXRDLLGEGO-MELADBBJSA-N -1 3 271.360 3.108 20 0 CGADHM CCc1ccc(C(=O)N2C[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)c([O-])c1 ZINC000452591284 394088909 /nfs/dbraw/zinc/08/89/09/394088909.db2.gz MFWLEYPWWJNYAF-DZASIIFFSA-N -1 3 297.398 3.239 20 0 CGADHM Cc1c(Br)ccc([O-])c1NC(=O)C[C@H]1C[C@H]1C ZINC000452747851 394111363 /nfs/dbraw/zinc/11/13/63/394111363.db2.gz JFTMIXJJQLSJAV-VXNVDRBHSA-N -1 3 298.180 3.448 20 0 CGADHM Cc1ccc(C(=O)N2CCn3cccc3[C@@H]2C)c([O-])c1C ZINC000271241285 292065824 /nfs/dbraw/zinc/06/58/24/292065824.db2.gz YTKDCAUQFBQIMP-ZDUSSCGKSA-N -1 3 284.359 3.028 20 0 CGADHM CCn1nccc1C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000669746928 543123814 /nfs/dbraw/zinc/12/38/14/543123814.db2.gz XSNQGWAJQLZLTH-UHFFFAOYSA-N -1 3 287.363 3.158 20 0 CGADHM Cc1cc([O-])c2nc(/C=C/c3cn(C)cn3)ccc2c1 ZINC000669819067 543125171 /nfs/dbraw/zinc/12/51/71/543125171.db2.gz DUAUCCILOSIAIP-AATRIKPKSA-N -1 3 265.316 3.153 20 0 CGADHM Cc1cccc(-c2cnc([N-]C(=O)c3cnco3)s2)c1 ZINC000672512447 543215553 /nfs/dbraw/zinc/21/55/53/543215553.db2.gz UDPLVAXILWEAHS-UHFFFAOYSA-N -1 3 285.328 3.359 20 0 CGADHM Cc1noc(C(F)F)c1C(=O)[N-]c1cc(Cl)ccn1 ZINC000673656831 543250226 /nfs/dbraw/zinc/25/02/26/543250226.db2.gz USYMGAQAWRISLO-UHFFFAOYSA-N -1 3 287.653 3.221 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])c1ncoc1-c1ccccc1 ZINC000674015453 543263258 /nfs/dbraw/zinc/26/32/58/543263258.db2.gz NYAHSHSMOBAJII-UHFFFAOYSA-N -1 3 298.273 3.439 20 0 CGADHM C[C@@H](C(=O)Nc1cc(F)ccc1[O-])C1CCCC1 ZINC000674137477 543273343 /nfs/dbraw/zinc/27/33/43/543273343.db2.gz XEDUFVSHLUQXJF-SECBINFHSA-N -1 3 251.301 3.296 20 0 CGADHM O=C(COc1ccc(F)c(Cl)c1)Nc1ccccc1[O-] ZINC000047470866 397633198 /nfs/dbraw/zinc/63/31/98/397633198.db2.gz DRFYHXVRGWYNPR-UHFFFAOYSA-N -1 3 295.697 3.202 20 0 CGADHM CCC[C@@](C)(N)C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000232399155 397668132 /nfs/dbraw/zinc/66/81/32/397668132.db2.gz QSOQGSOUPGRTLA-GFCCVEGCSA-N -1 3 291.178 3.155 20 0 CGADHM Cc1csc(C(=O)[N-]c2ncn(C(C)C)n2)c1Cl ZINC000650285469 397811791 /nfs/dbraw/zinc/81/17/91/397811791.db2.gz ZZGKAXFPSPFJOQ-UHFFFAOYSA-N -1 3 284.772 3.135 20 0 CGADHM COC[C@H](C)Cc1noc(-c2ccc(C(C)C)cc2[O-])n1 ZINC000650654231 397887161 /nfs/dbraw/zinc/88/71/61/397887161.db2.gz LJNNTTNSLIHXBY-LLVKDONJSA-N -1 3 290.363 3.391 20 0 CGADHM CCc1cccc(C(=O)N(C)Cc2ccsc2)c1[O-] ZINC000674359063 543282983 /nfs/dbraw/zinc/28/29/83/543282983.db2.gz NZIZNJRYEOLNPI-UHFFFAOYSA-N -1 3 275.373 3.288 20 0 CGADHM COc1ccnc([N-]c2ccn([C@H](C)c3ccccc3)n2)n1 ZINC000675296184 543327091 /nfs/dbraw/zinc/32/70/91/543327091.db2.gz YKPWKXQRCHFDHM-GFCCVEGCSA-N -1 3 295.346 3.035 20 0 CGADHM Cc1cc(-c2csc([N-]C(=O)c3cnco3)n2)c(C)o1 ZINC000677543968 543454564 /nfs/dbraw/zinc/45/45/64/543454564.db2.gz DSDKHANUXJLHQL-UHFFFAOYSA-N -1 3 289.316 3.260 20 0 CGADHM O=C(Cc1cc2ccccc2o1)Nc1cccc([O-])c1F ZINC000677801367 543466256 /nfs/dbraw/zinc/46/62/56/543466256.db2.gz LIKNDTZYXHUABO-UHFFFAOYSA-N -1 3 285.274 3.459 20 0 CGADHM Cc1ccc([O-])c(CN2CCOc3ccccc3[C@H]2C)n1 ZINC000678197112 543493197 /nfs/dbraw/zinc/49/31/97/543493197.db2.gz RMSGIFCIMJVVSP-CYBMUJFWSA-N -1 3 284.359 3.051 20 0 CGADHM CC[C@@H](NC(=O)c1cccc(OC)c1[O-])c1cccs1 ZINC000048443707 286905262 /nfs/dbraw/zinc/90/52/62/286905262.db2.gz ZMZCQGBTOXGECC-LLVKDONJSA-N -1 3 291.372 3.343 20 0 CGADHM C[C@@H]1CCC[C@H](C)CN1C(=O)NCc1ccc([O-])c(F)c1 ZINC000074375406 287012616 /nfs/dbraw/zinc/01/26/16/287012616.db2.gz GYCACKYIDDEATQ-NWDGAFQWSA-N -1 3 294.370 3.251 20 0 CGADHM C[C@H](c1ccc(F)cc1F)N1CCC[C@H](CC(=O)[O-])C1 ZINC000086757186 287083824 /nfs/dbraw/zinc/08/38/24/287083824.db2.gz BTONWKVYBZIYFP-GHMZBOCLSA-N -1 3 283.318 3.213 20 0 CGADHM Cc1ccc(CC(=O)Nc2cc(Cl)ccc2[O-])cc1O ZINC000089437591 287089911 /nfs/dbraw/zinc/08/99/11/287089911.db2.gz LAVHHESOPCPPAW-UHFFFAOYSA-N -1 3 291.734 3.241 20 0 CGADHM O=C(Cc1ccc(F)cc1)Nc1cc(Cl)ccc1[O-] ZINC000069692961 165054601 /nfs/dbraw/zinc/05/46/01/165054601.db2.gz GSZQEFSDBCZBEE-UHFFFAOYSA-N -1 3 279.698 3.366 20 0 CGADHM O=C(Nc1ccc([O-])cc1F)c1ccc2ccccc2n1 ZINC000070333035 165057100 /nfs/dbraw/zinc/05/71/00/165057100.db2.gz MNIPCBMJRYQRPF-UHFFFAOYSA-N -1 3 282.274 3.332 20 0 CGADHM Cc1ccc(C[C@@H](C)NC(=O)c2cccc([O-])c2)s1 ZINC000080247415 165153445 /nfs/dbraw/zinc/15/34/45/165153445.db2.gz PRQJFAKMROUQNI-SNVBAGLBSA-N -1 3 275.373 3.123 20 0 CGADHM O=C(Nc1ccc(-c2ncc[nH]2)cc1)c1cccc([O-])c1 ZINC000082282709 165168802 /nfs/dbraw/zinc/16/88/02/165168802.db2.gz SLCCRLMODASFDU-UHFFFAOYSA-N -1 3 279.299 3.035 20 0 CGADHM Cc1cc(C(=O)Nc2ccc([O-])cc2F)sc1C ZINC000087568029 165187799 /nfs/dbraw/zinc/18/77/99/165187799.db2.gz YNHBBYTXLGPQPI-UHFFFAOYSA-N -1 3 265.309 3.462 20 0 CGADHM Cc1ccc([O-])c(CNc2ccc(OC(C)C)cc2)n1 ZINC000091993601 165279781 /nfs/dbraw/zinc/27/97/81/165279781.db2.gz DSTKVTHRIUMFHG-UHFFFAOYSA-N -1 3 272.348 3.495 20 0 CGADHM COC(C)(C)c1noc(-c2cc3ccccc3cc2[O-])n1 ZINC000092141657 165282909 /nfs/dbraw/zinc/28/29/09/165282909.db2.gz MEBOLGBIJZBKIS-UHFFFAOYSA-N -1 3 284.315 3.477 20 0 CGADHM COc1csc(C(=O)Nc2ccc(C)cc2[O-])c1 ZINC000093220910 165327022 /nfs/dbraw/zinc/32/70/22/165327022.db2.gz FBNWHEMQAGLFMW-UHFFFAOYSA-N -1 3 263.318 3.023 20 0 CGADHM CCc1ccc([O-])c(C(=O)N(C)[C@H](C)c2ccccn2)c1 ZINC000094063040 165343620 /nfs/dbraw/zinc/34/36/20/165343620.db2.gz GUXINNWWPCFFFE-GFCCVEGCSA-N -1 3 284.359 3.183 20 0 CGADHM COc1ccccc1[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000094102422 165347515 /nfs/dbraw/zinc/34/75/15/165347515.db2.gz HWWBKKZKWQOEHP-OAHLLOKOSA-N -1 3 297.354 3.378 20 0 CGADHM O=C(Cc1ccc([O-])cc1Cl)N1CCc2ccccc21 ZINC000136119863 165450425 /nfs/dbraw/zinc/45/04/25/165450425.db2.gz DPOOVJYVWDOPOI-UHFFFAOYSA-N -1 3 287.746 3.177 20 0 CGADHM CC(C)[C@H]1CCCN(Cc2ccc(C(=O)[O-])cn2)CC1 ZINC000094762870 287122564 /nfs/dbraw/zinc/12/25/64/287122564.db2.gz VQZCVOLDZNHEKV-ZDUSSCGKSA-N -1 3 276.380 3.038 20 0 CGADHM CC[C@H](OC1CCCC1)C(=O)Nc1cc(F)ccc1[O-] ZINC000174905686 165581127 /nfs/dbraw/zinc/58/11/27/165581127.db2.gz HSFLUJAMEREKCS-AWEZNQCLSA-N -1 3 281.327 3.208 20 0 CGADHM Cc1ccc(C[C@H](C)[N-]C(=O)C(F)(F)C(F)F)s1 ZINC000176812138 165604954 /nfs/dbraw/zinc/60/49/54/165604954.db2.gz ZEEQKAWJZDXARQ-LURJTMIESA-N -1 3 283.290 3.004 20 0 CGADHM Cc1cccc(C(=O)Nc2ccc3[nH]ccc3c2)c1[O-] ZINC000113415889 287147967 /nfs/dbraw/zinc/14/79/67/287147967.db2.gz BDNJPAFXXXJIEW-UHFFFAOYSA-N -1 3 266.300 3.434 20 0 CGADHM O=C(c1ccccc1[O-])N1CCc2ccc(Cl)cc2C1 ZINC000121947747 287205004 /nfs/dbraw/zinc/20/50/04/287205004.db2.gz DVTJEBABMJSGHW-UHFFFAOYSA-N -1 3 287.746 3.244 20 0 CGADHM C[C@@H]1CCN(Cc2cc(F)ccc2Cl)[C@H](C(=O)[O-])C1 ZINC000124490422 287233917 /nfs/dbraw/zinc/23/39/17/287233917.db2.gz GAUQNZSIEPDMEY-RNCFNFMXSA-N -1 3 285.746 3.164 20 0 CGADHM Cc1ccc([N-]S(=O)(=O)c2cccc(F)c2)c(F)c1 ZINC000007428114 170284420 /nfs/dbraw/zinc/28/44/20/170284420.db2.gz BOBBCDZDGURBHF-UHFFFAOYSA-N -1 3 283.299 3.074 20 0 CGADHM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C1CC1 ZINC000007703120 170298233 /nfs/dbraw/zinc/29/82/33/170298233.db2.gz KIANBJUWWJFNAA-SSDOTTSWSA-N -1 3 294.203 3.070 20 0 CGADHM Cc1ccccc1-c1noc(-c2ccccc2[O-])n1 ZINC000022119986 171353584 /nfs/dbraw/zinc/35/35/84/171353584.db2.gz DHRWIBGENUGRGO-UHFFFAOYSA-N -1 3 252.273 3.418 20 0 CGADHM Cc1ccc(C(=O)N(C)C2CCCCCC2)c([O-])c1 ZINC000035175524 172028581 /nfs/dbraw/zinc/02/85/81/172028581.db2.gz NVOZGYYTOGZKNO-UHFFFAOYSA-N -1 3 261.365 3.495 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CCC[C@H]3CCCC[C@H]32)c1 ZINC000035219102 172059870 /nfs/dbraw/zinc/05/98/70/172059870.db2.gz IUMMCYFACDVYDF-UKRRQHHQSA-N -1 3 273.376 3.495 20 0 CGADHM Cc1ccc2oc(SCc3cc(=O)c([O-])co3)nc2c1 ZINC000127129944 287281646 /nfs/dbraw/zinc/28/16/46/287281646.db2.gz LBELETJUEJJZDC-UHFFFAOYSA-N -1 3 289.312 3.087 20 0 CGADHM O=C([O-])C[C@@H]1CCCCN1Cc1cccc(Cl)c1 ZINC000038027683 174013669 /nfs/dbraw/zinc/01/36/69/174013669.db2.gz IRURWYPLCQBJPR-ZDUSSCGKSA-N -1 3 267.756 3.169 20 0 CGADHM CCSc1cc(C(=O)Nc2cccc([O-])c2F)ccn1 ZINC000128403137 287309859 /nfs/dbraw/zinc/30/98/59/287309859.db2.gz DFPMGIRPHFTWJW-UHFFFAOYSA-N -1 3 292.335 3.291 20 0 CGADHM O=C(Nc1cccc([O-])c1F)c1ccc(Cl)s1 ZINC000129221672 287326956 /nfs/dbraw/zinc/32/69/56/287326956.db2.gz GWCKQBOSFNVODK-UHFFFAOYSA-N -1 3 271.700 3.499 20 0 CGADHM O=C(/C=C/c1ccc(F)cc1)Nc1cccc([O-])c1F ZINC000129418381 287330940 /nfs/dbraw/zinc/33/09/40/287330940.db2.gz KGYFDWVEZWEPMF-RMKNXTFCSA-N -1 3 275.254 3.322 20 0 CGADHM [O-]c1coc2cc(OCCCc3ccccc3)ccc12 ZINC000057524119 416483854 /nfs/dbraw/zinc/48/38/54/416483854.db2.gz TYXYMBPBHSSRTI-UHFFFAOYSA-N -1 3 268.312 3.273 20 0 CGADHM CC[C@@H](NCc1cccc([O-])c1Br)C1CC1 ZINC000315071971 416538168 /nfs/dbraw/zinc/53/81/68/416538168.db2.gz XANGMQJJXURBIV-LLVKDONJSA-N -1 3 284.197 3.433 20 0 CGADHM Cc1cc(C(=O)Nc2ccc(C)cc2[O-])nn1[C@H](C)C1CC1 ZINC000679083652 543590392 /nfs/dbraw/zinc/59/03/92/543590392.db2.gz ABJROLHMNABFNM-GFCCVEGCSA-N -1 3 299.374 3.429 20 0 CGADHM CC[C@@H](NC(=O)c1cc(C)ccc1[O-])c1c(C)noc1C ZINC000129708534 287337510 /nfs/dbraw/zinc/33/75/10/287337510.db2.gz ZRDPMWRUZGEAOA-CYBMUJFWSA-N -1 3 288.347 3.187 20 0 CGADHM O=C(Nc1cccc([O-])c1F)c1nccc2ccccc21 ZINC000129723340 287337954 /nfs/dbraw/zinc/33/79/54/287337954.db2.gz IPAWVSDAWURYQK-UHFFFAOYSA-N -1 3 282.274 3.332 20 0 CGADHM COc1cccc([C@@H](C)C(=O)Nc2cccc([O-])c2F)c1 ZINC000129716753 287337959 /nfs/dbraw/zinc/33/79/59/287337959.db2.gz YALORICKSWLIDQ-SNVBAGLBSA-N -1 3 289.306 3.282 20 0 CGADHM CC[C@@H](NC(=O)c1cccc(C)c1[O-])c1c(C)noc1C ZINC000129718847 287337968 /nfs/dbraw/zinc/33/79/68/287337968.db2.gz NBRUXUPQIQLMAS-CYBMUJFWSA-N -1 3 288.347 3.187 20 0 CGADHM O=C(Nc1cccc([O-])c1F)C1(Cc2ccccc2)CC1 ZINC000129767855 287338901 /nfs/dbraw/zinc/33/89/01/287338901.db2.gz RKBHXCRYIDUNJW-UHFFFAOYSA-N -1 3 285.318 3.493 20 0 CGADHM C[C@@H]1CCCN(C(=O)c2cc([O-])ccc2Cl)[C@H]1C ZINC000235390464 287338939 /nfs/dbraw/zinc/33/89/39/287338939.db2.gz PHOKLWAPLYGDKZ-ZJUUUORDSA-N -1 3 267.756 3.306 20 0 CGADHM Cc1ccc(C(=O)N2C[C@H](C)c3ccccc32)c([O-])c1 ZINC000129985947 287342428 /nfs/dbraw/zinc/34/24/28/287342428.db2.gz FEKIJEJIWQWNNM-LBPRGKRZSA-N -1 3 267.328 3.465 20 0 CGADHM Cc1ccc(C(=O)Nc2cccc(-c3nnco3)c2)c([O-])c1 ZINC000130089411 287344819 /nfs/dbraw/zinc/34/48/19/287344819.db2.gz JTEXTSUDJICEJK-UHFFFAOYSA-N -1 3 295.298 3.003 20 0 CGADHM Cc1cc(C(=O)N[C@@H]2C[C@]2(C)c2ccccc2)ccc1[O-] ZINC000679411151 543636013 /nfs/dbraw/zinc/63/60/13/543636013.db2.gz WXJLBPQYZRZYMU-SJLPKXTDSA-N -1 3 281.355 3.161 20 0 CGADHM CCC[C@H](NC(=O)c1ccc([O-])c(C)c1)c1ccccn1 ZINC000679409910 543636183 /nfs/dbraw/zinc/63/61/83/543636183.db2.gz UWFBUPKOQPNGNV-HNNXBMFYSA-N -1 3 284.359 3.367 20 0 CGADHM CO[C@@H]1CCCN(C(=O)c2ccc(C(C)C)cc2[O-])CC1 ZINC000680006510 543675553 /nfs/dbraw/zinc/67/55/53/543675553.db2.gz OCJMYLDBCTZJSW-CQSZACIVSA-N -1 3 291.391 3.157 20 0 CGADHM CCCCCNc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000736451349 572794164 /nfs/dbraw/zinc/79/41/64/572794164.db2.gz LAKBKKUYPMCUKF-UHFFFAOYSA-N -1 3 265.748 3.122 20 0 CGADHM CCCCCNc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000736451349 572794170 /nfs/dbraw/zinc/79/41/70/572794170.db2.gz LAKBKKUYPMCUKF-UHFFFAOYSA-N -1 3 265.748 3.122 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])c1coc(C2CC2)n1 ZINC000680844554 543738422 /nfs/dbraw/zinc/73/84/22/543738422.db2.gz ADBZQWUUYUOTGX-UHFFFAOYSA-N -1 3 278.695 3.163 20 0 CGADHM CCc1cccc(C(=O)NC(C)(C)CC(F)(F)F)c1[O-] ZINC000682021532 543816033 /nfs/dbraw/zinc/81/60/33/543816033.db2.gz MPQSBSJSVWOLCF-UHFFFAOYSA-N -1 3 289.297 3.415 20 0 CGADHM C[C@@H](NC(=O)CCCc1ccc([O-])c(F)c1)C1CCC1 ZINC000682516838 543849588 /nfs/dbraw/zinc/84/95/88/543849588.db2.gz OCYKMKPSARZPKS-LLVKDONJSA-N -1 3 279.355 3.159 20 0 CGADHM CCC[C@H](C)NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000682450310 543846524 /nfs/dbraw/zinc/84/65/24/543846524.db2.gz UJBVZMAKCACIQM-NSHDSACASA-N -1 3 267.344 3.159 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CC[C@@H](C(C)(C)C)C2)c1 ZINC000131409426 287379148 /nfs/dbraw/zinc/37/91/48/287379148.db2.gz CYDUYYDHLKRCSI-GFCCVEGCSA-N -1 3 261.365 3.209 20 0 CGADHM CCCCOc1ccc(C(=O)N2CC(C)(C)C2)c([O-])c1 ZINC000684079400 543963896 /nfs/dbraw/zinc/96/38/96/543963896.db2.gz UCWNJHQBLKLSOU-UHFFFAOYSA-N -1 3 277.364 3.053 20 0 CGADHM Cc1cccc(C(=O)NCCCCc2ccccc2)c1[O-] ZINC000684815429 544032291 /nfs/dbraw/zinc/03/22/91/544032291.db2.gz BQWOIFKGTOUOJE-UHFFFAOYSA-N -1 3 283.371 3.453 20 0 CGADHM CCCc1ccc(CNCc2ncccc2[O-])cc1 ZINC000684416570 543997532 /nfs/dbraw/zinc/99/75/32/543997532.db2.gz UQVONXQXYYNQIS-UHFFFAOYSA-N -1 3 256.349 3.030 20 0 CGADHM O=C([C@H]1Cc2ccc(F)cc21)N1CCCc2cccc([O-])c21 ZINC000684469813 544005634 /nfs/dbraw/zinc/00/56/34/544005634.db2.gz LPVNWCPIEDLGJE-HNNXBMFYSA-N -1 3 297.329 3.150 20 0 CGADHM CCc1cccc(C(=O)N2CCC[C@H](C3CC3)C2)c1[O-] ZINC000685857504 544103897 /nfs/dbraw/zinc/10/38/97/544103897.db2.gz FKHMOGJHZBXBCP-AWEZNQCLSA-N -1 3 273.376 3.217 20 0 CGADHM CC(C)[C@H]1CN([C@H](C(=O)[O-])c2ccc(F)cc2)CCS1 ZINC000652438887 418969020 /nfs/dbraw/zinc/96/90/20/418969020.db2.gz KRUAUZANTOTPID-KGLIPLIRSA-N -1 3 297.395 3.025 20 0 CGADHM CC[C@]1(C)CCN([C@@H](C)c2cc(C(=O)[O-])c(C)o2)C1 ZINC000652431660 418969068 /nfs/dbraw/zinc/96/90/68/418969068.db2.gz HCCBSIUHEVMNER-ZUZCIYMTSA-N -1 3 265.353 3.469 20 0 CGADHM C[C@@H]1CCCN(Cc2c(Cl)cccc2C(=O)[O-])C1 ZINC000652366608 418958142 /nfs/dbraw/zinc/95/81/42/418958142.db2.gz DHJPEXYUBLBHBE-SNVBAGLBSA-N -1 3 267.756 3.270 20 0 CGADHM COc1ccc(C(=O)[N-]c2cc(C3(C)CCCC3)on2)o1 ZINC000655394304 419045963 /nfs/dbraw/zinc/04/59/63/419045963.db2.gz SACOJWCTALXQID-UHFFFAOYSA-N -1 3 290.319 3.360 20 0 CGADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CCC12CCCC2 ZINC000652573300 418982810 /nfs/dbraw/zinc/98/28/10/418982810.db2.gz PPRGXKBRBZDXLB-UHFFFAOYSA-N -1 3 285.387 3.430 20 0 CGADHM CC(C)c1ccc(C(=O)N2CC[C@@]3(CC3(F)F)C2)c([O-])c1 ZINC000653004557 419009020 /nfs/dbraw/zinc/00/90/20/419009020.db2.gz SZGQDHADNTZEFC-OAHLLOKOSA-N -1 3 295.329 3.387 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)N2CC(C)(C)[C@@H]2c2ccncc2)n1 ZINC000664830533 419011745 /nfs/dbraw/zinc/01/17/45/419011745.db2.gz WAGFOFJFQJEAAC-DOMZBBRYSA-N -1 3 298.390 3.030 20 0 CGADHM Cc1ccc(CN(Cc2ccccc2)C[C@H](C)C(=O)[O-])cn1 ZINC000656190975 419147103 /nfs/dbraw/zinc/14/71/03/419147103.db2.gz YTMBLJPTKBGCMR-AWEZNQCLSA-N -1 3 298.386 3.113 20 0 CGADHM CSc1ccc([O-])c(C(=O)N(C)[C@H](C)C(C)C)c1 ZINC000666026348 419180383 /nfs/dbraw/zinc/18/03/83/419180383.db2.gz BBDBYJWEKHDFLA-SNVBAGLBSA-N -1 3 267.394 3.231 20 0 CGADHM CCc1ccc(CCNC(C)(C)c2nc(C)cc(=O)[n-]2)cc1 ZINC000660746032 419189149 /nfs/dbraw/zinc/18/91/49/419189149.db2.gz IDTCLCMCMRHHFG-UHFFFAOYSA-N -1 3 299.418 3.120 20 0 CGADHM CCCc1ccc(CNC(C)(C)c2nc(C)cc(=O)[n-]2)cc1 ZINC000660752818 419189533 /nfs/dbraw/zinc/18/95/33/419189533.db2.gz ZWMIHIXWPXCPSC-UHFFFAOYSA-N -1 3 299.418 3.468 20 0 CGADHM CN(CCC(=O)[O-])Cc1ccccc1OCc1ccccc1 ZINC000655920326 419126710 /nfs/dbraw/zinc/12/67/10/419126710.db2.gz IHZSKRCTFQXSRS-UHFFFAOYSA-N -1 3 299.370 3.172 20 0 CGADHM C[C@@H]1CCN(Cc2csc(C(=O)[O-])c2)[C@H](C)C1 ZINC000656758465 419210666 /nfs/dbraw/zinc/21/06/66/419210666.db2.gz ZLYBOUINEXTKJQ-NXEZZACHSA-N -1 3 253.367 3.067 20 0 CGADHM CCC[C@@H](C(=O)[O-])N1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000656766340 419211799 /nfs/dbraw/zinc/21/17/99/419211799.db2.gz OPHVWMLMNRCHSW-INIZCTEOSA-N -1 3 286.375 3.088 20 0 CGADHM CCCn1c(=O)[n-]nc1SC[C@@H](OC)C1CCCCC1 ZINC000657231395 419233560 /nfs/dbraw/zinc/23/35/60/419233560.db2.gz CBPKMEUFBZHXDG-GFCCVEGCSA-N -1 3 299.440 3.081 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2ccnn2[C@@H](C)C2CC2)c1 ZINC000193124859 228062391 /nfs/dbraw/zinc/06/23/91/228062391.db2.gz AGRAKQRWPAVJJR-NSHDSACASA-N -1 3 285.347 3.120 20 0 CGADHM O=C([O-])C1CCN(CCSc2cccc(Cl)c2)CC1 ZINC000662198355 419357410 /nfs/dbraw/zinc/35/74/10/419357410.db2.gz FBHAFNDPSRYAST-UHFFFAOYSA-N -1 3 299.823 3.229 20 0 CGADHM O=C(c1cc([O-])ccc1C(F)(F)F)N1CC[C@H](C2CC2)C1 ZINC000366395159 304499721 /nfs/dbraw/zinc/49/97/21/304499721.db2.gz JOLPMMXKOXJETC-JTQLQIEISA-N -1 3 299.292 3.283 20 0 CGADHM Cc1cc(C(=O)NCc2cccc(Cl)c2)ccc1[O-] ZINC000226714391 287635634 /nfs/dbraw/zinc/63/56/34/287635634.db2.gz NBVSXOHWNYUYOE-UHFFFAOYSA-N -1 3 275.735 3.284 20 0 CGADHM Cc1ccc(NC(=O)c2ccc([O-])c(C)c2)c(F)c1 ZINC000226953162 287636149 /nfs/dbraw/zinc/63/61/49/287636149.db2.gz OAASRANZDGGWFF-UHFFFAOYSA-N -1 3 259.280 3.400 20 0 CGADHM Cc1cc(C(=O)NC[C@@H](C)c2ccccc2)ccc1[O-] ZINC000227013408 287636391 /nfs/dbraw/zinc/63/63/91/287636391.db2.gz ODHRVTULDPAEGF-CYBMUJFWSA-N -1 3 269.344 3.234 20 0 CGADHM O=C([O-])c1cccc(CNCc2cccc3cccnc32)c1 ZINC000317999052 260894229 /nfs/dbraw/zinc/89/42/29/260894229.db2.gz HDSUDNQVWJFEGG-UHFFFAOYSA-N -1 3 292.338 3.223 20 0 CGADHM Cc1cccc(C(=O)NC2CCC(F)(F)CC2)c1[O-] ZINC000390330965 262180984 /nfs/dbraw/zinc/18/09/84/262180984.db2.gz CRYASHXGGLMXQJ-UHFFFAOYSA-N -1 3 269.291 3.008 20 0 CGADHM CC1CCN(Cc2cc(=O)[n-]c(-c3ccccc3)n2)CC1 ZINC000041649082 270031125 /nfs/dbraw/zinc/03/11/25/270031125.db2.gz PJGYLXXOVQMVDM-UHFFFAOYSA-N -1 3 283.375 3.081 20 0 CGADHM O=C(CCOc1ccc(Cl)cc1)Nc1ccccc1[O-] ZINC000127511182 270051794 /nfs/dbraw/zinc/05/17/94/270051794.db2.gz WBGDBHFQQUTOGC-UHFFFAOYSA-N -1 3 291.734 3.453 20 0 CGADHM CC(C)Oc1ccccc1C(=O)Nc1ccccc1[O-] ZINC000106283052 270048462 /nfs/dbraw/zinc/04/84/62/270048462.db2.gz ASBUPNKZFUBFTM-UHFFFAOYSA-N -1 3 271.316 3.432 20 0 CGADHM CCc1cc(N[C@@H](C)C(=O)[N-]c2cc(C)no2)ccc1C ZINC000182480190 270054147 /nfs/dbraw/zinc/05/41/47/270054147.db2.gz YFPLCEJZXHAFCA-LBPRGKRZSA-N -1 3 287.363 3.293 20 0 CGADHM Cc1cccnc1/C=C/C(=O)Nc1cc(Cl)ccc1[O-] ZINC000184012665 270056596 /nfs/dbraw/zinc/05/65/96/270056596.db2.gz DPGLYPGKAHTDPQ-FNORWQNLSA-N -1 3 288.734 3.401 20 0 CGADHM Cc1ccc(-c2nnc(NC(=O)C[C@@H]3CCC[C@H]3C)[n-]2)o1 ZINC000184038737 270057182 /nfs/dbraw/zinc/05/71/82/270057182.db2.gz IAFFKCHNBXMAMV-KOLCDFICSA-N -1 3 288.351 3.138 20 0 CGADHM Cc1ccc(-c2n[n-]c(NC(=O)C[C@@H]3CCC[C@H]3C)n2)o1 ZINC000184038737 270057184 /nfs/dbraw/zinc/05/71/84/270057184.db2.gz IAFFKCHNBXMAMV-KOLCDFICSA-N -1 3 288.351 3.138 20 0 CGADHM Cc1ccc(-c2nc(NC(=O)C[C@@H]3CCC[C@H]3C)n[n-]2)o1 ZINC000184038737 270057185 /nfs/dbraw/zinc/05/71/85/270057185.db2.gz IAFFKCHNBXMAMV-KOLCDFICSA-N -1 3 288.351 3.138 20 0 CGADHM Cc1ccc(C(=O)N[C@@H]2CCc3c2cccc3C)c([O-])c1 ZINC000519162590 265348646 /nfs/dbraw/zinc/34/86/46/265348646.db2.gz YGNRGIVVDLYHGO-MRXNPFEDSA-N -1 3 281.355 3.426 20 0 CGADHM [O-]c1cc(F)cc(CNCc2cnn(-c3ccccc3)c2)c1 ZINC000185461079 270062909 /nfs/dbraw/zinc/06/29/09/270062909.db2.gz HZJHBGKFWCEZMD-UHFFFAOYSA-N -1 3 297.333 3.007 20 0 CGADHM CC(C)[C@]1(C)C[C@H]1C(=O)N1CCCc2cccc([O-])c21 ZINC000186625551 270066792 /nfs/dbraw/zinc/06/67/92/270066792.db2.gz GEFSEOHQYFUMEV-GUYCJALGSA-N -1 3 273.376 3.354 20 0 CGADHM O=C(/C=C/c1nc2ccccc2s1)Nc1ncccc1[O-] ZINC000192734867 270077585 /nfs/dbraw/zinc/07/75/85/270077585.db2.gz GHKWGZWDZUSSGC-BQYQJAHWSA-N -1 3 297.339 3.049 20 0 CGADHM O=C(c1cccc([O-])c1)N(Cc1ccccc1)C1CC1 ZINC000193073929 270078494 /nfs/dbraw/zinc/07/84/94/270078494.db2.gz PJJHNUDCOTXONY-UHFFFAOYSA-N -1 3 267.328 3.197 20 0 CGADHM CCC[C@H](CC)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000521667199 270102997 /nfs/dbraw/zinc/10/29/97/270102997.db2.gz MCXIZRKSAXZCTQ-JTQLQIEISA-N -1 3 293.791 3.336 20 0 CGADHM COc1ccc(-c2nc3ccc(F)cc3c(=O)[n-]2)cc1C ZINC000523123274 270108011 /nfs/dbraw/zinc/10/80/11/270108011.db2.gz HUKIWXREKBLMRI-UHFFFAOYSA-N -1 3 284.290 3.046 20 0 CGADHM O=C(NCc1ccc(C2CCC2)cc1)c1csc(=O)[n-]1 ZINC000527178727 270126210 /nfs/dbraw/zinc/12/62/10/270126210.db2.gz ZBTUMWDHLFMFPJ-UHFFFAOYSA-N -1 3 288.372 3.046 20 0 CGADHM CCC[C@@H](CN=c1[n-]cc(C(F)(F)F)s1)OCC ZINC000528080842 270153780 /nfs/dbraw/zinc/15/37/80/270153780.db2.gz FXAJNRCETPFOIY-QMMMGPOBSA-N -1 3 282.331 3.201 20 0 CGADHM O=C([O-])[C@@H]1c2ccoc2CCN1C[C@H]1CCCCC1(F)F ZINC000530165543 270195311 /nfs/dbraw/zinc/19/53/11/270195311.db2.gz RQDMRTPXHMPVJQ-MFKMUULPSA-N -1 3 299.317 3.089 20 0 CGADHM O=C([O-])c1ccc(F)c2c1CN(CCc1ccccc1)CC2 ZINC000530167996 270195503 /nfs/dbraw/zinc/19/55/03/270195503.db2.gz HPIWHGVGTAAALD-UHFFFAOYSA-N -1 3 299.345 3.125 20 0 CGADHM O=C([O-])c1cccc(CN[C@H](c2ccccn2)C2CCC2)c1 ZINC000530251809 270197658 /nfs/dbraw/zinc/19/76/58/270197658.db2.gz JOXKCXLWJLGLDJ-KRWDZBQOSA-N -1 3 296.370 3.411 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)[C@H]2C[C@@H]2C(C)C)c1-c1ccc(C)cc1 ZINC000530273841 270198066 /nfs/dbraw/zinc/19/80/66/270198066.db2.gz RLIAEIZVFRZRMS-CABCVRRESA-N -1 3 297.402 3.346 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)[C@@]23C[C@@H]2CCC3)c1-c1ccc(C)cc1 ZINC000530272584 270198114 /nfs/dbraw/zinc/19/81/14/270198114.db2.gz GPXRRABUKQRMBM-KSSFIOAISA-N -1 3 295.386 3.244 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)[C@@H]2CC[C@@H](C)C2)c1-c1ccc(C)cc1 ZINC000530275003 270198248 /nfs/dbraw/zinc/19/82/48/270198248.db2.gz YZZKXBDYAGEEGC-IUODEOHRSA-N -1 3 297.402 3.490 20 0 CGADHM CCc1ccc(C(=O)N[C@H](c2cccnc2)C2CC2)c([O-])c1 ZINC000530337587 270198979 /nfs/dbraw/zinc/19/89/79/270198979.db2.gz SLFLJMFFCKPBRA-KRWDZBQOSA-N -1 3 296.370 3.231 20 0 CGADHM Cc1ncc(CN[C@@H]2CCC(C)(C)c3ccccc32)c(=O)[n-]1 ZINC000360885999 274856775 /nfs/dbraw/zinc/85/67/75/274856775.db2.gz UFMKVEMQERLTIV-MRXNPFEDSA-N -1 3 297.402 3.393 20 0 CGADHM CC[C@H](C)[C@@H](C)N(C(=O)/C=C\c1cncc([O-])c1)C1CC1 ZINC000255036608 287855225 /nfs/dbraw/zinc/85/52/25/287855225.db2.gz HMWJVVAOXZDCPO-SDIVBXRLSA-N -1 3 288.391 3.226 20 0 CGADHM O=C(/C=C\c1nc2ccccc2o1)Nc1ccccc1[O-] ZINC000255589723 287873225 /nfs/dbraw/zinc/87/32/25/287873225.db2.gz UEJYLJCJNHFXAN-KTKRTIGZSA-N -1 3 280.283 3.185 20 0 CGADHM CO[C@@H](C)c1cccc(NC(=O)/C=C\c2cncc([O-])c2)c1 ZINC000255718506 287878012 /nfs/dbraw/zinc/87/80/12/287878012.db2.gz VRIRXDYWCLDWKK-DGMVEKRQSA-N -1 3 298.342 3.147 20 0 CGADHM CCc1cccc2c1OCC[C@H]2NC(=O)c1cccc([O-])c1 ZINC000357429721 276678625 /nfs/dbraw/zinc/67/86/25/276678625.db2.gz JAJGEJYKHHBLGU-MRXNPFEDSA-N -1 3 297.354 3.208 20 0 CGADHM CC(=O)c1ccc(C(=O)N(C)[C@@H]2CCC(C)(C)C2)cc1[O-] ZINC000412310746 277106862 /nfs/dbraw/zinc/10/68/62/277106862.db2.gz QSCUKYUODZGGRY-CYBMUJFWSA-N -1 3 289.375 3.246 20 0 CGADHM C[C@@H]1[C@H](C(=O)N2CC[C@@H](C)c3cccc([O-])c32)C1(F)F ZINC000468861939 278087034 /nfs/dbraw/zinc/08/70/34/278087034.db2.gz DNLXCWKCZSVKCL-KBVBSXBZSA-N -1 3 281.302 3.134 20 0 CGADHM CC1(C)CCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000427241979 278236155 /nfs/dbraw/zinc/23/61/55/278236155.db2.gz LUDZFNOOBUCVLX-QMMMGPOBSA-N -1 3 293.841 3.259 20 0 CGADHM CC(C)(C)C[C@@H]1CCCN1C(=O)c1cccc([O-])c1 ZINC000357336459 278334041 /nfs/dbraw/zinc/33/40/41/278334041.db2.gz MGMORXAYVPDZAH-ZDUSSCGKSA-N -1 3 261.365 3.433 20 0 CGADHM C[C@H]1CCCC[C@H]1C(=O)N1CCCc2cccc([O-])c21 ZINC000424745921 278336614 /nfs/dbraw/zinc/33/66/14/278336614.db2.gz KMGOOJNPTRVPNA-GXTWGEPZSA-N -1 3 273.376 3.498 20 0 CGADHM C[C@H]1CCN(C(=O)C[C@@H]2CCCCO2)c2c([O-])cccc21 ZINC000186261620 278358128 /nfs/dbraw/zinc/35/81/28/278358128.db2.gz BFZNSZRAPJRHCJ-STQMWFEESA-N -1 3 289.375 3.192 20 0 CGADHM Cc1cc(C(=O)N[C@H]2c3ccccc3C[C@H]2C)ccc1[O-] ZINC000436939662 280365145 /nfs/dbraw/zinc/36/51/45/280365145.db2.gz PNEOYZAOJXCDRE-SJKOYZFVSA-N -1 3 281.355 3.364 20 0 CGADHM O=C(Nc1ncccc1[O-])[C@@H]1CC[C@H]1c1ccc(F)cc1 ZINC000529008629 288228931 /nfs/dbraw/zinc/22/89/31/288228931.db2.gz LKYNMSWVHUWFHP-QWHCGFSZSA-N -1 3 286.306 3.059 20 0 CGADHM O=C([N-]OCCC1CC1)[C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21 ZINC000529427262 288246733 /nfs/dbraw/zinc/24/67/33/288246733.db2.gz RFNYZJLDIYGSAZ-VHDGCEQUSA-N -1 3 291.778 3.074 20 0 CGADHM CCc1cccc(C(=O)N2C[C@H](C)C[C@H](C)[C@@H]2C)c1[O-] ZINC000530510127 288308952 /nfs/dbraw/zinc/30/89/52/288308952.db2.gz CDMLUKGNLPZZAF-AGIUHOORSA-N -1 3 275.392 3.461 20 0 CGADHM CC[C@H]1Cc2ccccc2CN1C(=O)c1ccccc1[O-] ZINC000436745702 281242391 /nfs/dbraw/zinc/24/23/91/281242391.db2.gz VPHFPDSTZSNWKD-HNNXBMFYSA-N -1 3 281.355 3.369 20 0 CGADHM CCc1ccc(C(=O)N2CC(C)(C)C[C@@H]2C)c([O-])c1 ZINC000412763879 281393744 /nfs/dbraw/zinc/39/37/44/281393744.db2.gz GLROTYOSXQQEAN-NSHDSACASA-N -1 3 261.365 3.215 20 0 CGADHM CCc1cccc(C(=O)N2CC[C@H](C)C[C@H](C)C2)c1[O-] ZINC000533571050 288387972 /nfs/dbraw/zinc/38/79/72/288387972.db2.gz HXXDECCTTCIOSI-STQMWFEESA-N -1 3 275.392 3.463 20 0 CGADHM CCC(CC)N(C(=O)c1ccc(C)cc1[O-])C1CC1 ZINC000539840459 288634807 /nfs/dbraw/zinc/63/48/07/288634807.db2.gz YEHPCZLSPXKTOO-UHFFFAOYSA-N -1 3 261.365 3.494 20 0 CGADHM CCc1cccc(C(=O)N2CCCc3cccc(O)c32)c1[O-] ZINC000548773326 289022055 /nfs/dbraw/zinc/02/20/55/289022055.db2.gz QOVMBGLSMBMJJP-UHFFFAOYSA-N -1 3 297.354 3.253 20 0 CGADHM CC(=O)c1cccc(NC(=O)[C@@H]2CCC[C@H](C)C2)c1[O-] ZINC000552285737 289179036 /nfs/dbraw/zinc/17/90/36/289179036.db2.gz AYJJHVYGWBGPOQ-CMPLNLGQSA-N -1 3 275.348 3.360 20 0 CGADHM CCc1cc(C(=O)NCCOc2ccccc2C)ccc1[O-] ZINC000553340628 289220375 /nfs/dbraw/zinc/22/03/75/289220375.db2.gz PBVJRUIVPGFVJG-UHFFFAOYSA-N -1 3 299.370 3.072 20 0 CGADHM COc1ccc([C@@H](NCc2ncccc2[O-])C2CC2)cc1 ZINC000554857972 289314002 /nfs/dbraw/zinc/31/40/02/289314002.db2.gz FYUJILZUJOVMHT-KRWDZBQOSA-N -1 3 284.359 3.037 20 0 CGADHM Cc1ccc([O-])c(C(=O)N(C2CC2)C2CCCC2)c1 ZINC000559581400 289550864 /nfs/dbraw/zinc/55/08/64/289550864.db2.gz BSORCPXZQUQDEG-UHFFFAOYSA-N -1 3 259.349 3.248 20 0 CGADHM Cc1ccnc(-c2nc(=O)c3c4c(sc3[n-]2)CCCC4)c1 ZINC000111664977 292758863 /nfs/dbraw/zinc/75/88/63/292758863.db2.gz JSXKNTPDZDBQBW-UHFFFAOYSA-N -1 3 297.383 3.234 20 0 CGADHM O=C([O-])C1(CNCc2c(F)cccc2Cl)CCCC1 ZINC000562343958 289694800 /nfs/dbraw/zinc/69/48/00/289694800.db2.gz KXFGWWZXPCKYPL-UHFFFAOYSA-N -1 3 285.746 3.214 20 0 CGADHM C[C@H]1CCN(C(=O)c2csc(=O)[n-]2)[C@@H](c2ccco2)C1 ZINC000334851084 290570753 /nfs/dbraw/zinc/57/07/53/290570753.db2.gz MUWCZFJJJOWDAJ-GXSJLCMTSA-N -1 3 292.360 3.055 20 0 CGADHM CSc1ccccc1[C@@H](C)NCc1ncccc1[O-] ZINC000564302343 322025989 /nfs/dbraw/zinc/02/59/89/322025989.db2.gz VDNYLIUHGNDYFS-LLVKDONJSA-N -1 3 274.389 3.360 20 0 CGADHM CCc1cccc(C)c1NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000565181221 322065228 /nfs/dbraw/zinc/06/52/28/322065228.db2.gz MBKRNEUGONRNTK-UHFFFAOYSA-N -1 3 297.358 3.183 20 0 CGADHM CCC(CC)CC(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000565661305 322086162 /nfs/dbraw/zinc/08/61/62/322086162.db2.gz RESFCEQOMDCEMR-UHFFFAOYSA-N -1 3 263.337 3.360 20 0 CGADHM CC(C)OCc1ccccc1CNC(=O)c1cccc([O-])c1 ZINC000566028516 322101317 /nfs/dbraw/zinc/10/13/17/322101317.db2.gz HJILPZOKPGNLOL-UHFFFAOYSA-N -1 3 299.370 3.247 20 0 CGADHM CC(C)=CCN(CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000566360820 322118480 /nfs/dbraw/zinc/11/84/80/322118480.db2.gz AZZBBARSGNBDPP-UHFFFAOYSA-N -1 3 283.318 3.208 20 0 CGADHM O=C([O-])CC1CCN([C@@H]2CCCc3ccc(F)cc32)CC1 ZINC000567054860 322148473 /nfs/dbraw/zinc/14/84/73/322148473.db2.gz BLVHOIZYWOZNLX-MRXNPFEDSA-N -1 3 291.366 3.390 20 0 CGADHM C[C@@H]1C[C@@H]1CC(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000567974348 322186189 /nfs/dbraw/zinc/18/61/89/322186189.db2.gz QAEBZPHUUGXZDZ-HTQZYQBOSA-N -1 3 289.253 3.275 20 0 CGADHM Cc1ccccc1[C@@H](NC(=O)Cc1cncc([O-])c1)C(C)C ZINC000568232282 322199018 /nfs/dbraw/zinc/19/90/18/322199018.db2.gz KDRQUQJORSKBJP-SFHVURJKSA-N -1 3 298.386 3.152 20 0 CGADHM O=C(Nc1cccc([O-])c1F)c1ccccc1OC1CC1 ZINC000568581695 322214403 /nfs/dbraw/zinc/21/44/03/322214403.db2.gz UVNRRXVKUDUZNG-UHFFFAOYSA-N -1 3 287.290 3.325 20 0 CGADHM [O-]c1ccc(-c2noc([C@@H]3CC34CCCC4)n2)cc1 ZINC000570334976 322270984 /nfs/dbraw/zinc/27/09/84/322270984.db2.gz YCIWOSJVKYGZPI-LBPRGKRZSA-N -1 3 256.305 3.490 20 0 CGADHM CCc1cc(N2CC[C@@H](C(=O)[O-])[C@H]2C)c2ccccc2n1 ZINC000570725212 322280765 /nfs/dbraw/zinc/28/07/65/322280765.db2.gz PNKGSAZHLHDMLV-DGCLKSJQSA-N -1 3 284.359 3.097 20 0 CGADHM CC(C)(NCc1ncccc1[O-])c1cccc(Cl)c1 ZINC000571086630 322289409 /nfs/dbraw/zinc/28/94/09/322289409.db2.gz HLLLVLPPRHVNOA-UHFFFAOYSA-N -1 3 276.767 3.466 20 0 CGADHM CC(C)(C)[C@@H](NC(=O)Cc1cncc([O-])c1)c1ccccc1 ZINC000571416103 322298295 /nfs/dbraw/zinc/29/82/95/322298295.db2.gz HGWIWBIXBQPZHJ-KRWDZBQOSA-N -1 3 298.386 3.233 20 0 CGADHM O=C(NCc1ccc([O-])c(F)c1)[C@H]1CCCC[C@@H]1C1CC1 ZINC000571447217 322298950 /nfs/dbraw/zinc/29/89/50/322298950.db2.gz QBWXUNSWRYKQAN-KGLIPLIRSA-N -1 3 291.366 3.364 20 0 CGADHM CCC[C@@H](CC(C)C)c1nc(-c2cc(=O)[n-]cn2)no1 ZINC000571799163 322308009 /nfs/dbraw/zinc/30/80/09/322308009.db2.gz BNXCBMXETPFQBY-JTQLQIEISA-N -1 3 276.340 3.162 20 0 CGADHM CC(C)c1noc(CCCc2ccc([O-])c(F)c2)n1 ZINC000572202945 322324917 /nfs/dbraw/zinc/32/49/17/322324917.db2.gz GVLNGWOJBFZLJK-UHFFFAOYSA-N -1 3 264.300 3.213 20 0 CGADHM C[C@H]1C[C@H]1CC(=O)Nc1nnc(-c2cc3ccccc3o2)[n-]1 ZINC000583353139 327316663 /nfs/dbraw/zinc/31/66/63/327316663.db2.gz DRDZKRKZCPEJQY-ONGXEEELSA-N -1 3 296.330 3.203 20 0 CGADHM C[C@H]1C[C@H]1CC(=O)Nc1nc(-c2cc3ccccc3o2)n[n-]1 ZINC000583353139 327316665 /nfs/dbraw/zinc/31/66/65/327316665.db2.gz DRDZKRKZCPEJQY-ONGXEEELSA-N -1 3 296.330 3.203 20 0 CGADHM C[C@H]1C[C@H]1CC(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000583353139 327316666 /nfs/dbraw/zinc/31/66/66/327316666.db2.gz DRDZKRKZCPEJQY-ONGXEEELSA-N -1 3 296.330 3.203 20 0 CGADHM CCO[C@H]1C[C@H](N(C)Cc2ccsc2C(=O)[O-])C1(C)C ZINC000583446101 327371583 /nfs/dbraw/zinc/37/15/83/327371583.db2.gz OSSWECZODJYKPF-RYUDHWBXSA-N -1 3 297.420 3.082 20 0 CGADHM CCC[C@@H](C)S(=O)(=O)[N-]c1cnn([C@H](C)CC)c1C ZINC000582550181 329105970 /nfs/dbraw/zinc/10/59/70/329105970.db2.gz OWYLOEAHOYZZRM-GHMZBOCLSA-N -1 3 287.429 3.093 20 0 CGADHM CCc1ccc2nccc(N3CC[C@H](C(=O)[O-])[C@@H]3C)c2c1 ZINC000582668940 329122408 /nfs/dbraw/zinc/12/24/08/329122408.db2.gz QTLHAIFNQZWKEA-AAEUAGOBSA-N -1 3 284.359 3.097 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])c1ccc2ncccc2c1 ZINC000174868898 335167927 /nfs/dbraw/zinc/16/79/27/335167927.db2.gz NPBJPOSEZBIEDK-UHFFFAOYSA-N -1 3 282.274 3.332 20 0 CGADHM Cc1ccccc1CC(=O)Nc1cc(F)ccc1[O-] ZINC000174879924 335168368 /nfs/dbraw/zinc/16/83/68/335168368.db2.gz OATDUCXOBDKSFZ-UHFFFAOYSA-N -1 3 259.280 3.021 20 0 CGADHM Cc1ccc2c(c1)N(C(=O)c1cccc(C)c1[O-])C[C@H](C)O2 ZINC000175051345 335171793 /nfs/dbraw/zinc/17/17/93/335171793.db2.gz PGQPFYBGNKBIFQ-ZDUSSCGKSA-N -1 3 297.354 3.437 20 0 CGADHM CCO[C@@H]1C[C@@H](N(C)Cc2ccc(C(=O)[O-])s2)C1(C)C ZINC000576285493 335183288 /nfs/dbraw/zinc/18/32/88/335183288.db2.gz KBWROXMWFXBSOE-CHWSQXEVSA-N -1 3 297.420 3.082 20 0 CGADHM CC[C@@H](CC(F)(F)F)C(=O)Nc1cccc([O-])c1F ZINC000576583420 335222069 /nfs/dbraw/zinc/22/20/69/335222069.db2.gz BRXQUECKADTJFD-ZETCQYMHSA-N -1 3 279.233 3.448 20 0 CGADHM Cc1[nH]ccc1C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000176162326 335246713 /nfs/dbraw/zinc/24/67/13/335246713.db2.gz WPWPOIUHOLBGHW-UHFFFAOYSA-N -1 3 264.712 3.243 20 0 CGADHM O=C(N[C@@H](c1ccccc1)C1CC1)c1cccc([O-])c1 ZINC000192612388 335286794 /nfs/dbraw/zinc/28/67/94/335286794.db2.gz KXVFMHRPTHTCGV-INIZCTEOSA-N -1 3 267.328 3.273 20 0 CGADHM CC(C)(CC(=O)[O-])NCc1ccc(-c2ccccc2)o1 ZINC000577408329 335349749 /nfs/dbraw/zinc/34/97/49/335349749.db2.gz RYUYQZSCRVCVTR-UHFFFAOYSA-N -1 3 273.332 3.290 20 0 CGADHM Cc1ccc([C@@H]2CCN([C@@H](C)c3nc(C)cc(=O)[n-]3)C2)cc1 ZINC000577457467 335354350 /nfs/dbraw/zinc/35/43/50/335354350.db2.gz OUXBBYPWRGYKNQ-GOEBONIOSA-N -1 3 297.402 3.350 20 0 CGADHM CCCN(C[C@H]1CCCCO1)[C@H](C)c1ccc(C(=O)[O-])o1 ZINC000577521642 335364572 /nfs/dbraw/zinc/36/45/72/335364572.db2.gz LMTGYAOUXRBWBJ-CHWSQXEVSA-N -1 3 295.379 3.320 20 0 CGADHM O=C(CCc1cccs1)Nc1cccc([O-])c1F ZINC000179147835 335475331 /nfs/dbraw/zinc/47/53/31/335475331.db2.gz QWBHVFIRXFABCT-UHFFFAOYSA-N -1 3 265.309 3.164 20 0 CGADHM COc1cc(C)cc(-c2nc(-c3ccco3)no2)c1[O-] ZINC000350566702 335514477 /nfs/dbraw/zinc/51/44/77/335514477.db2.gz PFJWXXVOWPWJLT-UHFFFAOYSA-N -1 3 272.260 3.019 20 0 CGADHM [O-]c1ccccc1-c1nc(-c2ccc(Cl)o2)no1 ZINC000350927221 335549780 /nfs/dbraw/zinc/54/97/80/335549780.db2.gz QFUWJXGZBRFQEZ-UHFFFAOYSA-N -1 3 262.652 3.356 20 0 CGADHM Cc1cc(-c2noc(-c3ccccc3[O-])n2)c(C)o1 ZINC000351036075 335560156 /nfs/dbraw/zinc/56/01/56/335560156.db2.gz PGYNZJPXLUXMER-UHFFFAOYSA-N -1 3 256.261 3.319 20 0 CGADHM COCc1ccc(C(=O)Nc2c([O-])cccc2Cl)o1 ZINC000578868352 335682581 /nfs/dbraw/zinc/68/25/81/335682581.db2.gz CSNGQZDBJUPYLY-UHFFFAOYSA-N -1 3 281.695 3.037 20 0 CGADHM CC(C)c1ccc(CN(C)C(=O)Cc2cncc([O-])c2)cc1 ZINC000581320768 336048676 /nfs/dbraw/zinc/04/86/76/336048676.db2.gz OEKVJPAOSRWZDX-UHFFFAOYSA-N -1 3 298.386 3.112 20 0 CGADHM C[C@H](c1ccccc1)N(C)Cc1ccoc1C(=O)[O-] ZINC000383842653 336118337 /nfs/dbraw/zinc/11/83/37/336118337.db2.gz ORXYTUMCNSYKNA-LLVKDONJSA-N -1 3 259.305 3.171 20 0 CGADHM O=C([C@H]1CC2CCC1CC2)N1CCCc2cccc([O-])c21 ZINC000386489985 336175516 /nfs/dbraw/zinc/17/55/16/336175516.db2.gz OCNIUIFUTROKJN-PIMMBPRGSA-N -1 3 285.387 3.498 20 0 CGADHM CC1(C)CO[C@@H](c2ccccc2)CN1Cc1ncccc1[O-] ZINC000581970459 336181067 /nfs/dbraw/zinc/18/10/67/336181067.db2.gz CWSZKCFKUGSDSK-QGZVFWFLSA-N -1 3 298.386 3.139 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CC[C@](F)(c3ccccc3)C2)c1 ZINC000582015428 336192494 /nfs/dbraw/zinc/19/24/94/336192494.db2.gz UZKSNBZCFJMDPA-GOSISDBHSA-N -1 3 299.345 3.412 20 0 CGADHM COC(=O)c1cc(/C=C/c2ccc3cccc([O-])c3n2)c[nH]1 ZINC000439529718 533716431 /nfs/dbraw/zinc/71/64/31/533716431.db2.gz SVPVNVFUTFRLPY-FNORWQNLSA-N -1 3 294.310 3.226 20 0 CGADHM CCC[C@H](C)N(C)Cc1ccc(C(=O)[O-])cc1F ZINC000062752485 521036662 /nfs/dbraw/zinc/03/66/62/521036662.db2.gz FCLAWGAGBYIXRH-JTQLQIEISA-N -1 3 253.317 3.144 20 0 CGADHM COC(=O)c1ccc(C)c(NC(=O)c2ccc([O-])c(C)c2)c1 ZINC000436926488 534063672 /nfs/dbraw/zinc/06/36/72/534063672.db2.gz LXKXSXWVTWKADH-UHFFFAOYSA-N -1 3 299.326 3.048 20 0 CGADHM COc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C)c([O-])c1 ZINC000424807136 534152625 /nfs/dbraw/zinc/15/26/25/534152625.db2.gz RTGLFAARHLEQHE-CMPLNLGQSA-N -1 3 263.337 3.166 20 0 CGADHM Cc1ccc([O-])c(CN[C@@H]2CCOc3c(C)cccc32)n1 ZINC000365088283 534198581 /nfs/dbraw/zinc/19/85/81/534198581.db2.gz PKKNNNULADBEFR-CQSZACIVSA-N -1 3 284.359 3.017 20 0 CGADHM CC[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccccc2F)C1 ZINC000085069146 536078273 /nfs/dbraw/zinc/07/82/73/536078273.db2.gz WEUWVKDFMWDTHL-RYUDHWBXSA-N -1 3 285.384 3.073 20 0 CGADHM Cc1ccc(C(=O)NC[C@@]2(C)CCCS2)c([O-])c1C ZINC000436586758 534267354 /nfs/dbraw/zinc/26/73/54/534267354.db2.gz USPRGGGMJGGUFL-OAHLLOKOSA-N -1 3 279.405 3.025 20 0 CGADHM Cc1noc([N-]C(=O)[C@@H](C)Oc2cccc(Cl)c2)c1C ZINC000359736051 534431962 /nfs/dbraw/zinc/43/19/62/534431962.db2.gz BXUUZVCTHJDZNO-SNVBAGLBSA-N -1 3 294.738 3.351 20 0 CGADHM [O-]c1cccnc1CNCc1cccc(C(F)(F)F)c1 ZINC000347966012 534456547 /nfs/dbraw/zinc/45/65/47/534456547.db2.gz RXBCRZCRRGCUFR-UHFFFAOYSA-N -1 3 282.265 3.096 20 0 CGADHM Cc1cccc(C(=O)N2CCc3cc(F)c(F)cc32)c1[O-] ZINC000436526935 534596835 /nfs/dbraw/zinc/59/68/35/534596835.db2.gz JVQOSGNWDXILHM-UHFFFAOYSA-N -1 3 289.281 3.182 20 0 CGADHM Cc1cccc(C(=O)N[C@H]2CSc3ccccc32)c1[O-] ZINC000436525606 534623599 /nfs/dbraw/zinc/62/35/99/534623599.db2.gz BOBAKZYZVNTFAB-ZDUSSCGKSA-N -1 3 285.368 3.277 20 0 CGADHM CC[C@H](C(=O)[O-])N(C)Cc1cccc(Cl)c1Cl ZINC000086802951 523807609 /nfs/dbraw/zinc/80/76/09/523807609.db2.gz BMVRZRZXIXRYSY-SNVBAGLBSA-N -1 3 276.163 3.288 20 0 CGADHM O=C(c1ccccc1[O-])N1CCC[C@H](Cc2ccccc2)C1 ZINC000436553709 534749795 /nfs/dbraw/zinc/74/97/95/534749795.db2.gz GICYCDMJJGROKO-MRXNPFEDSA-N -1 3 295.382 3.487 20 0 CGADHM Cc1ccc(CN(C)C(=O)c2cccc(C)c2[O-])s1 ZINC000102736215 524381793 /nfs/dbraw/zinc/38/17/93/524381793.db2.gz CDBSLIHMOBSJFU-UHFFFAOYSA-N -1 3 275.373 3.343 20 0 CGADHM Cc1ccc([N-]S(=O)(=O)c2ccccc2C)c(C)c1O ZINC000112334900 525304364 /nfs/dbraw/zinc/30/43/64/525304364.db2.gz KLWFMPNZNLHYDJ-UHFFFAOYSA-N -1 3 291.372 3.118 20 0 CGADHM COc1cccc(C(=O)N2CCCC(C)(C)CC2)c1[O-] ZINC000087658471 525798245 /nfs/dbraw/zinc/79/82/45/525798245.db2.gz WUQWYUOUTQPANI-UHFFFAOYSA-N -1 3 277.364 3.053 20 0 CGADHM CC(=O)c1cccc(NC(=O)[C@@H]2CCCC2(C)C)c1[O-] ZINC000517375295 534891984 /nfs/dbraw/zinc/89/19/84/534891984.db2.gz UBECOGXTSTUDHE-LBPRGKRZSA-N -1 3 275.348 3.360 20 0 CGADHM CC(C)(C)c1nc(CNCC2(C(=O)[O-])CCCC2)cs1 ZINC000518048691 534899999 /nfs/dbraw/zinc/89/99/99/534899999.db2.gz RFZMZYXDPXSPFF-UHFFFAOYSA-N -1 3 296.436 3.175 20 0 CGADHM Cc1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2C)c([O-])c1 ZINC000055482061 526064693 /nfs/dbraw/zinc/06/46/93/526064693.db2.gz KUMGTIKSWKOLSB-TZMCWYRMSA-N -1 3 261.365 3.351 20 0 CGADHM [O-]c1cccc(CN[C@@H]2CCO[C@@H](C3CC3)C2)c1Cl ZINC000339352282 526361346 /nfs/dbraw/zinc/36/13/46/526361346.db2.gz LLOBEWRAYLROAS-TZMCWYRMSA-N -1 3 281.783 3.093 20 0 CGADHM CC(C)(CC(F)F)C(=O)Nc1ccc([O-])cc1F ZINC000412243225 526979034 /nfs/dbraw/zinc/97/90/34/526979034.db2.gz FARYUVYUMKZALL-UHFFFAOYSA-N -1 3 261.243 3.151 20 0 CGADHM CC(=O)c1ccc(C(=O)N[C@@H]2CCC23CCCC3)cc1[O-] ZINC000412299743 527261384 /nfs/dbraw/zinc/26/13/84/527261384.db2.gz IJGPUANCBVXZJP-OAHLLOKOSA-N -1 3 287.359 3.047 20 0 CGADHM CC(C)(NC(=O)c1ccccc1[O-])c1cccs1 ZINC000436549182 527286916 /nfs/dbraw/zinc/28/69/16/527286916.db2.gz UBPCHGATPGLNAH-UHFFFAOYSA-N -1 3 261.346 3.119 20 0 CGADHM O=[S@@](Cc1coc(-c2ccccc2)n1)c1ccc([O-])cc1 ZINC000108083590 527423535 /nfs/dbraw/zinc/42/35/35/527423535.db2.gz PRDAORXJLDZLFU-OAQYLSRUSA-N -1 3 299.351 3.355 20 0 CGADHM O=C([N-]c1nc(C2CC2)cs1)c1snnc1C1CC1 ZINC000290153845 527506515 /nfs/dbraw/zinc/50/65/15/527506515.db2.gz NUYOBPCEIHDAIU-UHFFFAOYSA-N -1 3 292.389 3.002 20 0 CGADHM CC(C)(C)C[C@H](NCc1cc(Cl)ccc1F)C(=O)[O-] ZINC000426825763 527701998 /nfs/dbraw/zinc/70/19/98/527701998.db2.gz ROGGGBGYTBUKOF-LBPRGKRZSA-N -1 3 287.762 3.458 20 0 CGADHM CC1(C)Cc2ccc(C(=O)NCc3ccccc3)c([O-])c2O1 ZINC000436772285 527775238 /nfs/dbraw/zinc/77/52/38/527775238.db2.gz DOYZLYXZLQSDJG-UHFFFAOYSA-N -1 3 297.354 3.036 20 0 CGADHM CCCN(CC(C)C)C(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000411367163 527927138 /nfs/dbraw/zinc/92/71/38/527927138.db2.gz RAEVXELCBZQXGO-UHFFFAOYSA-N -1 3 277.364 3.103 20 0 CGADHM CC(C)CN(CC(C)C)C(=O)Cc1ccc([O-])c(F)c1 ZINC000448970369 527930055 /nfs/dbraw/zinc/93/00/55/527930055.db2.gz LRIQWUFBGFNLOF-UHFFFAOYSA-N -1 3 281.371 3.214 20 0 CGADHM CC(C)c1ccc(C(=O)N2CC(CC(F)F)C2)c([O-])c1 ZINC000425077562 528060570 /nfs/dbraw/zinc/06/05/70/528060570.db2.gz SBPBTCQAWMPOMB-UHFFFAOYSA-N -1 3 283.318 3.243 20 0 CGADHM CC(C)c1ccc(C(=O)NC[C@@H]2C[C@@H](C)O[C@H]2C)c([O-])c1 ZINC000412693493 528071457 /nfs/dbraw/zinc/07/14/57/528071457.db2.gz TUYSZLIILAFNBX-DYEKYZERSA-N -1 3 291.391 3.059 20 0 CGADHM CC(C)c1ccc(C(=O)N[C@H](C)[C@@H]2CCCCO2)c([O-])c1 ZINC000436878708 528076914 /nfs/dbraw/zinc/07/69/14/528076914.db2.gz HEODADUPVXKOIN-WBMJQRKESA-N -1 3 291.391 3.203 20 0 CGADHM CC1=C(C)CN(C(=O)c2ccc3c(c2[O-])CCCC3)CC1 ZINC000436612103 528090649 /nfs/dbraw/zinc/09/06/49/528090649.db2.gz ZXGRMDHWLZQDKO-UHFFFAOYSA-N -1 3 285.387 3.453 20 0 CGADHM CCCN(C[C@H]1CCCCO1)C(=O)c1ccc([O-])c(C)c1 ZINC000436906375 528127273 /nfs/dbraw/zinc/12/72/73/528127273.db2.gz VRYOFNVBIBLROI-OAHLLOKOSA-N -1 3 291.391 3.122 20 0 CGADHM CC1CN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])C1 ZINC000436639942 528272510 /nfs/dbraw/zinc/27/25/10/528272510.db2.gz GOPCMFRYDUTJDM-UHFFFAOYSA-N -1 3 295.382 3.269 20 0 CGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)CCCC(C)C ZINC000410627425 528370489 /nfs/dbraw/zinc/37/04/89/528370489.db2.gz UPXDGPUTZXHGPA-UHFFFAOYSA-N -1 3 296.367 3.179 20 0 CGADHM CCOC1(CNC(=O)c2ccc(C)c(C)c2[O-])CCCC1 ZINC000436523958 528470860 /nfs/dbraw/zinc/47/08/60/528470860.db2.gz XFBFFQGPJAJGTR-UHFFFAOYSA-N -1 3 291.391 3.088 20 0 CGADHM CCCCOCCNC(=O)c1ccc(C(C)C)cc1[O-] ZINC000436707607 528608137 /nfs/dbraw/zinc/60/81/37/528608137.db2.gz XWUGGIOPFKTLOU-UHFFFAOYSA-N -1 3 279.380 3.062 20 0 CGADHM CC(C)[C@@H]1CCCC[C@H]1NC(=O)Cc1ccc([O-])c(F)c1 ZINC000448905097 528654032 /nfs/dbraw/zinc/65/40/32/528654032.db2.gz XVERFSSDMXPZIS-DZGCQCFKSA-N -1 3 293.382 3.405 20 0 CGADHM CCCc1cnc(NC(=O)c2ccc([O-])c(C)c2)s1 ZINC000436939749 528657827 /nfs/dbraw/zinc/65/78/27/528657827.db2.gz QMTILZRBNXTFTG-UHFFFAOYSA-N -1 3 276.361 3.362 20 0 CGADHM CCCCOc1ccc(C(=O)N(CC)CCC)c([O-])c1 ZINC000436970962 528659132 /nfs/dbraw/zinc/65/91/32/528659132.db2.gz HXPSNRLLXAXWFO-UHFFFAOYSA-N -1 3 279.380 3.443 20 0 CGADHM CCCOc1cccnc1C(=O)Nc1ccc(C)cc1[O-] ZINC000436860777 528781264 /nfs/dbraw/zinc/78/12/64/528781264.db2.gz YHNIATMVOSSLJP-UHFFFAOYSA-N -1 3 286.331 3.137 20 0 CGADHM CCC(O)(CC)CCNC(=O)c1ccc(C(C)C)cc1[O-] ZINC000436887311 528963735 /nfs/dbraw/zinc/96/37/35/528963735.db2.gz NQIDURNQQYYTDM-UHFFFAOYSA-N -1 3 293.407 3.187 20 0 CGADHM CCCC[C@H]1CCC[C@H]1NC(=O)c1cccc(OC)c1[O-] ZINC000303202230 529005364 /nfs/dbraw/zinc/00/53/64/529005364.db2.gz ONMQIPPRECWGAA-GXTWGEPZSA-N -1 3 291.391 3.490 20 0 CGADHM CC[C@H](C)[C@@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC000436535454 529228435 /nfs/dbraw/zinc/22/84/35/529228435.db2.gz KWVLKTRDABOBDW-JSGCOSHPSA-N -1 3 261.365 3.433 20 0 CGADHM CCSc1cc(C(=O)Nc2cc(F)ccc2[O-])ccn1 ZINC000178327818 529236328 /nfs/dbraw/zinc/23/63/28/529236328.db2.gz HJZPPURQSLZCLN-UHFFFAOYSA-N -1 3 292.335 3.291 20 0 CGADHM CC[C@H](C)[C@H](OC)c1nc(-c2ccc([O-])cc2)no1 ZINC000436869437 529266585 /nfs/dbraw/zinc/26/65/85/529266585.db2.gz LGGHKAHHEZUPKX-CABZTGNLSA-N -1 3 262.309 3.176 20 0 CGADHM CC[C@@H]1CCCC[C@H]1C(=O)N=c1cc(-c2ccncc2)[n-][nH]1 ZINC000359369777 529285127 /nfs/dbraw/zinc/28/51/27/529285127.db2.gz KQDUPFVMWLIMHB-TZMCWYRMSA-N -1 3 298.390 3.049 20 0 CGADHM CC/C=C/CNCc1cccc([O-])c1Br ZINC000315095573 535243373 /nfs/dbraw/zinc/24/33/73/535243373.db2.gz ICOYZWBRGCJXAJ-ONEGZZNKSA-N -1 3 270.170 3.211 20 0 CGADHM CCOC(=O)c1ccc(NC(=O)[C@@H](C)CC(C)C)c([O-])c1 ZINC000462763878 535693410 /nfs/dbraw/zinc/69/34/10/535693410.db2.gz SAWRLIYFSBRPIU-NSHDSACASA-N -1 3 293.363 3.190 20 0 CGADHM COc1ccc(NC(=O)[C@@H]2C[C@H]2CC(C)C)c([O-])c1 ZINC000451023599 571717576 /nfs/dbraw/zinc/71/75/76/571717576.db2.gz GDZPQVNKUIPTAF-ZYHUDNBSSA-N -1 3 263.337 3.022 20 0 CGADHM O=C([O-])c1coc(CN2CC[C@@H](c3ccccc3F)C2)c1 ZINC000740269996 571742950 /nfs/dbraw/zinc/74/29/50/571742950.db2.gz UDRGDEAXZOOVOC-LLVKDONJSA-N -1 3 289.306 3.106 20 0 CGADHM Cc1cc(NCCCCC(=O)[O-])c2ccccc2n1 ZINC000070200286 568584576 /nfs/dbraw/zinc/58/45/76/568584576.db2.gz NLOADGAHGFGQAO-UHFFFAOYSA-N -1 3 258.321 3.210 20 0 CGADHM Cc1nonc1[N-]C(=O)c1cc2c(cccc2Cl)s1 ZINC000727709852 571764716 /nfs/dbraw/zinc/76/47/16/571764716.db2.gz SQAXYTALAJNLBQ-UHFFFAOYSA-N -1 3 293.735 3.498 20 0 CGADHM CCc1csc([N-]C(=O)c2scnc2Cl)n1 ZINC000729461064 571919426 /nfs/dbraw/zinc/91/94/26/571919426.db2.gz DJMGTNQEDQDHIG-UHFFFAOYSA-N -1 3 273.770 3.068 20 0 CGADHM Cc1ccc(N(Cc2cccs2)C(=O)c2nnc[n-]2)cc1 ZINC000746175166 571955512 /nfs/dbraw/zinc/95/55/12/571955512.db2.gz XCXHQPTWHQRPAY-UHFFFAOYSA-N -1 3 298.371 3.022 20 0 CGADHM Cc1ccc(N(Cc2cccs2)C(=O)c2nc[n-]n2)cc1 ZINC000746175166 571955516 /nfs/dbraw/zinc/95/55/16/571955516.db2.gz XCXHQPTWHQRPAY-UHFFFAOYSA-N -1 3 298.371 3.022 20 0 CGADHM O=C(Nc1cccc(-c2cc[nH]n2)c1)c1cc2occc2[n-]1 ZINC000750844108 572329751 /nfs/dbraw/zinc/32/97/51/572329751.db2.gz VBIHQIQJOMMTBL-UHFFFAOYSA-N -1 3 292.298 3.403 20 0 CGADHM Cc1ccc([C@@H]2CCCN2c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000737328324 572337423 /nfs/dbraw/zinc/33/74/23/572337423.db2.gz BGOCLELCXLWBIS-AWEZNQCLSA-N -1 3 295.346 3.110 20 0 CGADHM Cc1ccc([C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000737328324 572337426 /nfs/dbraw/zinc/33/74/26/572337426.db2.gz BGOCLELCXLWBIS-AWEZNQCLSA-N -1 3 295.346 3.110 20 0 CGADHM CN(Cc1cccc(F)c1)[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000737487281 572347140 /nfs/dbraw/zinc/34/71/40/572347140.db2.gz UKRCBNGRDSARKB-OAHLLOKOSA-N -1 3 291.297 3.223 20 0 CGADHM Fc1cc(-c2nnn[n-]2)ccc1SCc1ccccc1 ZINC000737645100 572360365 /nfs/dbraw/zinc/36/03/65/572360365.db2.gz RGDUQIIABNFFKQ-UHFFFAOYSA-N -1 3 286.335 3.298 20 0 CGADHM Fc1cc(-c2nn[n-]n2)ccc1SCc1ccccc1 ZINC000737645100 572360366 /nfs/dbraw/zinc/36/03/66/572360366.db2.gz RGDUQIIABNFFKQ-UHFFFAOYSA-N -1 3 286.335 3.298 20 0 CGADHM CC(C)(C)c1ccc(CN2CC[C@@H](CNC(=O)[O-])C2)cc1 ZINC000738731894 572390140 /nfs/dbraw/zinc/39/01/40/572390140.db2.gz SHJLSTJMIZPYTE-AWEZNQCLSA-N -1 3 290.407 3.074 20 0 CGADHM C[C@H](CCNCc1cccc(Cl)c1Cl)NC(=O)[O-] ZINC000738907448 572396590 /nfs/dbraw/zinc/39/65/90/572396590.db2.gz UFTAKHOKUCHWBV-MRVPVSSYSA-N -1 3 291.178 3.129 20 0 CGADHM C[C@@H](NC(=O)[O-])C1CCN(C/C=C\c2ccccc2)CC1 ZINC000739028187 572399799 /nfs/dbraw/zinc/39/97/99/572399799.db2.gz QEZMQCAJAVAWPR-BMWLXYDHSA-N -1 3 288.391 3.068 20 0 CGADHM C[C@H](c1ccc2ccccc2c1)N1CC[C@@H](NC(=O)[O-])C1 ZINC000739055538 572400792 /nfs/dbraw/zinc/40/07/92/572400792.db2.gz FRLGQQSLCZSTJB-MLGOLLRUSA-N -1 3 284.359 3.243 20 0 CGADHM C[C@H]1C[C@H]1c1ccc(CNC2CCC(NC(=O)[O-])CC2)o1 ZINC000739087250 572401896 /nfs/dbraw/zinc/40/18/96/572401896.db2.gz HKALYRYNALNKSN-DLOFLVKXSA-N -1 3 292.379 3.071 20 0 CGADHM C[C@H](c1ccccc1Cl)N1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000739171458 572402809 /nfs/dbraw/zinc/40/28/09/572402809.db2.gz CBZCOSFNKZCNHI-GYSYKLTISA-N -1 3 296.798 3.379 20 0 CGADHM O=C([O-])[C@@H](NCc1cc2ccccc2[nH]1)c1ccc(F)cc1 ZINC000739500000 572417646 /nfs/dbraw/zinc/41/76/46/572417646.db2.gz NNNGGTCHPZMLMR-INIZCTEOSA-N -1 3 298.317 3.223 20 0 CGADHM [O-]c1ccc(CNC[C@H](O)c2ccc(F)cc2)cc1Cl ZINC000733324140 572555463 /nfs/dbraw/zinc/55/54/63/572555463.db2.gz JPMQVRGCUAKRJI-HNNXBMFYSA-N -1 3 295.741 3.008 20 0 CGADHM CC(C)(C)OCCO[N-]C(=O)CCC1CCCCC1 ZINC000733998090 572622468 /nfs/dbraw/zinc/62/24/68/572622468.db2.gz MXWCLMAPSYOYPW-UHFFFAOYSA-N -1 3 271.401 3.210 20 0 CGADHM Cc1ccc(F)c(S(=O)(=O)[N-]C2[C@H](C)CCC[C@H]2C)c1 ZINC000735081022 572699950 /nfs/dbraw/zinc/69/99/50/572699950.db2.gz KFGACDZQQZEMOH-VXGBXAGGSA-N -1 3 299.411 3.237 20 0 CGADHM C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)C(C)(C)C ZINC000736024920 572762534 /nfs/dbraw/zinc/76/25/34/572762534.db2.gz CGLAYRROUICPJC-QMMMGPOBSA-N -1 3 294.790 3.009 20 0 CGADHM C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)C(C)(C)C ZINC000736024920 572762540 /nfs/dbraw/zinc/76/25/40/572762540.db2.gz CGLAYRROUICPJC-QMMMGPOBSA-N -1 3 294.790 3.009 20 0 CGADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000736136922 572769486 /nfs/dbraw/zinc/76/94/86/572769486.db2.gz HZLVJLNWTBQUOA-SNVBAGLBSA-N -1 3 283.310 3.179 20 0 CGADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000736136922 572769490 /nfs/dbraw/zinc/76/94/90/572769490.db2.gz HZLVJLNWTBQUOA-SNVBAGLBSA-N -1 3 283.310 3.179 20 0 CGADHM C[C@@H]1C[C@@H](C)CN(c2ccc(Cl)cc2-c2nnn[n-]2)C1 ZINC000736226039 572773557 /nfs/dbraw/zinc/77/35/57/572773557.db2.gz FKGSPIJQSWBLKN-NXEZZACHSA-N -1 3 291.786 3.002 20 0 CGADHM C[C@@H]1C[C@@H](C)CN(c2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC000736226039 572773562 /nfs/dbraw/zinc/77/35/62/572773562.db2.gz FKGSPIJQSWBLKN-NXEZZACHSA-N -1 3 291.786 3.002 20 0 CGADHM CCCCS[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736462751 572794494 /nfs/dbraw/zinc/79/44/94/572794494.db2.gz JKGHHTWUHKZDPB-SNVBAGLBSA-N -1 3 262.382 3.461 20 0 CGADHM CCCCS[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736462751 572794497 /nfs/dbraw/zinc/79/44/97/572794497.db2.gz JKGHHTWUHKZDPB-SNVBAGLBSA-N -1 3 262.382 3.461 20 0 CGADHM C[C@H]1c2ccccc2OCCN1[C@@H](C(=O)[O-])c1ccccc1 ZINC000736840681 572821005 /nfs/dbraw/zinc/82/10/05/572821005.db2.gz QDPQXJREWBYGHA-SUMWQHHRSA-N -1 3 297.354 3.268 20 0 CGADHM COc1ccc(NC(=O)c2ncsc2C(C)C)c([O-])c1 ZINC000356008416 572841646 /nfs/dbraw/zinc/84/16/46/572841646.db2.gz LWWDPBXZEVLSSA-UHFFFAOYSA-N -1 3 292.360 3.233 20 0 CGADHM Cc1cc(C)c(-c2nnn[n-]2)c(S[C@H](C)C(C)C)n1 ZINC000737239286 572866886 /nfs/dbraw/zinc/86/68/86/572866886.db2.gz CEPRPNRNQLBTSQ-SNVBAGLBSA-N -1 3 277.397 3.015 20 0 CGADHM Cc1cc(C)c(-c2nn[n-]n2)c(S[C@H](C)C(C)C)n1 ZINC000737239286 572866890 /nfs/dbraw/zinc/86/68/90/572866890.db2.gz CEPRPNRNQLBTSQ-SNVBAGLBSA-N -1 3 277.397 3.015 20 0 CGADHM C[C@H](C(=O)Nc1n[n-]c(-c2cccs2)n1)C1CCCC1 ZINC000749373019 572995646 /nfs/dbraw/zinc/99/56/46/572995646.db2.gz NHOQLMTZWQEEDP-VIFPVBQESA-N -1 3 290.392 3.298 20 0 CGADHM CC(C)COc1ccc(NC(=O)c2cc3occc3[n-]2)cn1 ZINC000750811771 573181361 /nfs/dbraw/zinc/18/13/61/573181361.db2.gz QQOLJZKYARGWGR-UHFFFAOYSA-N -1 3 299.330 3.443 20 0 CGADHM CC[C@@H](C)C[C@H](C)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC000820870322 599068010 /nfs/dbraw/zinc/06/80/10/599068010.db2.gz QNJPIMBZGRRWSW-BDAKNGLRSA-N -1 3 294.790 3.152 20 0 CGADHM CC[C@@H](C)C[C@H](C)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC000820870322 599068012 /nfs/dbraw/zinc/06/80/12/599068012.db2.gz QNJPIMBZGRRWSW-BDAKNGLRSA-N -1 3 294.790 3.152 20 0 CGADHM CC(C)[C@@H](C)Sc1ncc(-c2nnn[n-]2)cc1Cl ZINC000095136994 599098716 /nfs/dbraw/zinc/09/87/16/599098716.db2.gz NZIXHYLKFFXJOF-SSDOTTSWSA-N -1 3 283.788 3.052 20 0 CGADHM CC(C)[C@@H](C)Sc1ncc(-c2nn[n-]n2)cc1Cl ZINC000095136994 599098719 /nfs/dbraw/zinc/09/87/19/599098719.db2.gz NZIXHYLKFFXJOF-SSDOTTSWSA-N -1 3 283.788 3.052 20 0 CGADHM C[C@H](NCc1cccc(C(=O)[O-])c1)c1ccnc(Cl)c1 ZINC000820149005 598192061 /nfs/dbraw/zinc/19/20/61/598192061.db2.gz UAKIPBYZUDFFRG-JTQLQIEISA-N -1 3 290.750 3.284 20 0 CGADHM COc1ccccc1[C@@H](C)NCc1cccc(C(=O)[O-])c1 ZINC000234886254 598192209 /nfs/dbraw/zinc/19/22/09/598192209.db2.gz LCJODSXPJXNTEH-GFCCVEGCSA-N -1 3 285.343 3.244 20 0 CGADHM Cc1ccc([C@@H](C)Nc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000737319936 598240503 /nfs/dbraw/zinc/24/05/03/598240503.db2.gz HPXLNOBLGMMVON-LLVKDONJSA-N -1 3 297.337 3.487 20 0 CGADHM Clc1ccc(NC2CCCCC2)c(-c2nnn[n-]2)c1 ZINC000737575400 598506952 /nfs/dbraw/zinc/50/69/52/598506952.db2.gz TWCGRSKSHRBYTM-UHFFFAOYSA-N -1 3 277.759 3.265 20 0 CGADHM Clc1ccc(NC2CCCCC2)c(-c2nn[n-]n2)c1 ZINC000737575400 598506954 /nfs/dbraw/zinc/50/69/54/598506954.db2.gz TWCGRSKSHRBYTM-UHFFFAOYSA-N -1 3 277.759 3.265 20 0 CGADHM FC(F)(F)c1cc(NCC2CCC2)ccc1-c1nnn[n-]1 ZINC000737634098 598573748 /nfs/dbraw/zinc/57/37/48/598573748.db2.gz YERKTVQHYVNJNT-UHFFFAOYSA-N -1 3 297.284 3.098 20 0 CGADHM FC(F)(F)c1cc(NCC2CCC2)ccc1-c1nn[n-]n1 ZINC000737634098 598573750 /nfs/dbraw/zinc/57/37/50/598573750.db2.gz YERKTVQHYVNJNT-UHFFFAOYSA-N -1 3 297.284 3.098 20 0 CGADHM COc1ccc(-c2nnn[n-]2)cc1CS[C@H](C)C(C)C ZINC000821749265 607378584 /nfs/dbraw/zinc/37/85/84/607378584.db2.gz DBPANFOBTNZZBB-SNVBAGLBSA-N -1 3 292.408 3.153 20 0 CGADHM COc1ccc(-c2nn[n-]n2)cc1CS[C@H](C)C(C)C ZINC000821749265 607378586 /nfs/dbraw/zinc/37/85/86/607378586.db2.gz DBPANFOBTNZZBB-SNVBAGLBSA-N -1 3 292.408 3.153 20 0 CGADHM C[C@H](Nc1ccc(-c2nn[n-]n2)cc1F)C1CCCCC1 ZINC000820455045 599578201 /nfs/dbraw/zinc/57/82/01/599578201.db2.gz BLYOHZMCNCEULZ-JTQLQIEISA-N -1 3 289.358 3.387 20 0 CGADHM C[C@@H](Nc1cccc(F)c1-c1nnn[n-]1)C1CCCCC1 ZINC000820462308 599578780 /nfs/dbraw/zinc/57/87/80/599578780.db2.gz XFLSFBGHNNLDBQ-SNVBAGLBSA-N -1 3 289.358 3.387 20 0 CGADHM C[C@@H](Nc1cccc(F)c1-c1nn[n-]n1)C1CCCCC1 ZINC000820462308 599578782 /nfs/dbraw/zinc/57/87/82/599578782.db2.gz XFLSFBGHNNLDBQ-SNVBAGLBSA-N -1 3 289.358 3.387 20 0 CGADHM CC[C@](C)(NCc1csc(-c2ccsc2)n1)C(=O)[O-] ZINC000094228047 600560559 /nfs/dbraw/zinc/56/05/59/600560559.db2.gz CXKJYEXPEOVBKL-ZDUSSCGKSA-N -1 3 296.417 3.215 20 0 CGADHM C/C(=C/CN1CC[C@H](C)C[C@H]1c1ccco1)C(=O)[O-] ZINC000825735024 601178862 /nfs/dbraw/zinc/17/88/62/601178862.db2.gz MPWHGJFKHJZKJX-XTRMEEPQSA-N -1 3 263.337 3.084 20 0 CGADHM CCc1ccc(CNCc2ccc(NC(=O)[O-])nc2)s1 ZINC000827589260 603539567 /nfs/dbraw/zinc/53/95/67/603539567.db2.gz DQZWMUZVEUMEKU-UHFFFAOYSA-N -1 3 291.376 3.085 20 0 CGADHM C[C@@H](NC(=O)[O-])c1ccc(CN[C@@H](C)c2ccncc2)cc1 ZINC000825501959 604304258 /nfs/dbraw/zinc/30/42/58/604304258.db2.gz GDYBPZQCCCVUQW-QWHCGFSZSA-N -1 3 299.374 3.261 20 0 CGADHM CC1(C)CCN(Cc2ccc(C(=O)[O-])cc2F)CC1 ZINC000062756825 604753692 /nfs/dbraw/zinc/75/36/92/604753692.db2.gz HVZBQVLFUOBBNK-UHFFFAOYSA-N -1 3 265.328 3.146 20 0 CGADHM CC(C)c1ccc(CN(C)[C@H](C(=O)[O-])c2cccnc2)cc1 ZINC000833510605 604862007 /nfs/dbraw/zinc/86/20/07/604862007.db2.gz ZYAGNYRPHJBNSD-KRWDZBQOSA-N -1 3 298.386 3.463 20 0 CGADHM CN(Cc1ccc(C(=O)[O-])[nH]1)[C@H]1CCCc2ccccc21 ZINC000833696815 605102286 /nfs/dbraw/zinc/10/22/86/605102286.db2.gz VAWWDMNQNOOMLE-INIZCTEOSA-N -1 3 284.359 3.222 20 0 CGADHM C[C@@H]1CC[C@@H](N[C@@H](C(=O)[O-])c2cccnc2)c2ccccc21 ZINC000833605264 605142402 /nfs/dbraw/zinc/14/24/02/605142402.db2.gz YIZMBPCBEJTFQB-CSMYWGQOSA-N -1 3 296.370 3.436 20 0 CGADHM CC(C)CCN[C@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000211488466 605354008 /nfs/dbraw/zinc/35/40/08/605354008.db2.gz HVYJQCMVKVJURZ-LBPRGKRZSA-N -1 3 273.735 3.241 20 0 CGADHM C[C@H]1CCC[C@@H]1Nc1nc2ccccc2cc1-c1nnn[n-]1 ZINC000820697987 606073773 /nfs/dbraw/zinc/07/37/73/606073773.db2.gz ORRHWSJWZKRYJS-GWCFXTLKSA-N -1 3 294.362 3.015 20 0 CGADHM C[C@H]1CCC[C@@H]1Nc1nc2ccccc2cc1-c1nn[n-]n1 ZINC000820697987 606073778 /nfs/dbraw/zinc/07/37/78/606073778.db2.gz ORRHWSJWZKRYJS-GWCFXTLKSA-N -1 3 294.362 3.015 20 0 CGADHM c1ccc2nc(NCCCC3CC3)c(-c3nnn[n-]3)cc2c1 ZINC000823802376 606089623 /nfs/dbraw/zinc/08/96/23/606089623.db2.gz LJWKJTCIBHFXSI-UHFFFAOYSA-N -1 3 294.362 3.017 20 0 CGADHM c1ccc2nc(NCCCC3CC3)c(-c3nn[n-]n3)cc2c1 ZINC000823802376 606089628 /nfs/dbraw/zinc/08/96/28/606089628.db2.gz LJWKJTCIBHFXSI-UHFFFAOYSA-N -1 3 294.362 3.017 20 0 CGADHM CCC1(CNc2nc3ccccc3cc2-c2nnn[n-]2)CC1 ZINC000820962062 606428925 /nfs/dbraw/zinc/42/89/25/606428925.db2.gz HSJDIKKDCMWDCG-UHFFFAOYSA-N -1 3 294.362 3.017 20 0 CGADHM CCC1(CNc2nc3ccccc3cc2-c2nn[n-]n2)CC1 ZINC000820962062 606428927 /nfs/dbraw/zinc/42/89/27/606428927.db2.gz HSJDIKKDCMWDCG-UHFFFAOYSA-N -1 3 294.362 3.017 20 0 CGADHM Cl/C=C(/Cl)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000822562527 606867388 /nfs/dbraw/zinc/86/73/88/606867388.db2.gz ANPYZOUXDYBZHN-VMPITWQZSA-N -1 3 287.175 3.278 20 0 CGADHM Cl/C=C(/Cl)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000822562527 606867390 /nfs/dbraw/zinc/86/73/90/606867390.db2.gz ANPYZOUXDYBZHN-VMPITWQZSA-N -1 3 287.175 3.278 20 0 CGADHM c1csc(CCSc2cccc(-c3nn[n-]n3)c2)c1 ZINC000823762677 607018053 /nfs/dbraw/zinc/01/80/53/607018053.db2.gz SHSIIOBTQJOBRP-UHFFFAOYSA-N -1 3 288.401 3.263 20 0 CGADHM c1csc(CCSc2cccc(-c3nnn[n-]3)c2)c1 ZINC000823762677 607018051 /nfs/dbraw/zinc/01/80/51/607018051.db2.gz SHSIIOBTQJOBRP-UHFFFAOYSA-N -1 3 288.401 3.263 20 0 CGADHM CC[C@@H](C)Sc1ccc(-c2nnn[n-]2)cc1Cl ZINC000825075245 607843574 /nfs/dbraw/zinc/84/35/74/607843574.db2.gz NNNUSGLLCZVOMP-SSDOTTSWSA-N -1 3 268.773 3.411 20 0 CGADHM CC[C@@H](C)Sc1ccc(-c2nn[n-]n2)cc1Cl ZINC000825075245 607843575 /nfs/dbraw/zinc/84/35/75/607843575.db2.gz NNNUSGLLCZVOMP-SSDOTTSWSA-N -1 3 268.773 3.411 20 0 CGADHM COCCCCSc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826155972 607845586 /nfs/dbraw/zinc/84/55/86/607845586.db2.gz KHMHUMIPOAJOQS-UHFFFAOYSA-N -1 3 298.799 3.039 20 0 CGADHM COCCCCSc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826155972 607845587 /nfs/dbraw/zinc/84/55/87/607845587.db2.gz KHMHUMIPOAJOQS-UHFFFAOYSA-N -1 3 298.799 3.039 20 0 CGADHM Cc1cccc(N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1F ZINC000826299737 609255334 /nfs/dbraw/zinc/25/53/34/609255334.db2.gz SJNPLPFDVSHWIW-LLVKDONJSA-N -1 3 297.337 3.487 20 0 CGADHM Cc1cccc(N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1F ZINC000826299737 609255336 /nfs/dbraw/zinc/25/53/36/609255336.db2.gz SJNPLPFDVSHWIW-LLVKDONJSA-N -1 3 297.337 3.487 20 0 CGADHM CSc1ccccc1COc1ccccc1-c1nnn[n-]1 ZINC000826231603 609280331 /nfs/dbraw/zinc/28/03/31/609280331.db2.gz RETYCLCNWIGPFT-UHFFFAOYSA-N -1 3 298.371 3.168 20 0 CGADHM CSc1ccccc1COc1ccccc1-c1nn[n-]n1 ZINC000826231603 609280332 /nfs/dbraw/zinc/28/03/32/609280332.db2.gz RETYCLCNWIGPFT-UHFFFAOYSA-N -1 3 298.371 3.168 20 0 CGADHM COc1cccc(CCCO[N-]C(=O)CC(C)(C)C)c1 ZINC000842062748 620731476 /nfs/dbraw/zinc/73/14/76/620731476.db2.gz AAEYBZWWFQIPHA-UHFFFAOYSA-N -1 3 279.380 3.112 20 0 CGADHM O=c1ccnc(C=Cc2cc(O)cc(C(F)(F)F)c2)[n-]1 ZINC000811690752 617719550 /nfs/dbraw/zinc/71/95/50/617719550.db2.gz FFVFBUCZXLENBS-UPHRSURJSA-N -1 3 282.221 3.077 20 0 CGADHM O=C(OCc1ccccn1)c1cc(Cl)c(Cl)[n-]1 ZINC000097061644 618204832 /nfs/dbraw/zinc/20/48/32/618204832.db2.gz XNEZPZPBHPVIMY-UHFFFAOYSA-N -1 3 271.103 3.074 20 0 CGADHM COc1cccc([O-])c1C(=O)N1C[C@H](C)[C@@H]1c1ccccc1 ZINC000900883714 620818133 /nfs/dbraw/zinc/81/81/33/620818133.db2.gz SILMDYBCUYRUMT-YVEFUNNKSA-N -1 3 297.354 3.234 20 0 CGADHM CCCCC1(NC(=O)c2cc([O-])ccc2Cl)CC1 ZINC000889528567 618635435 /nfs/dbraw/zinc/63/54/35/618635435.db2.gz PTTFIGZUQVBQES-UHFFFAOYSA-N -1 3 267.756 3.498 20 0 CGADHM CO[C@@H](C/N=C/c1cc(Cl)ccc1[O-])C(C)C ZINC000075078329 618685618 /nfs/dbraw/zinc/68/56/18/618685618.db2.gz LCQLAGSCDFFUDI-FEZXJWFHSA-N -1 3 255.745 3.136 20 0 CGADHM CCCC[C@@H](/N=C/c1cc(Cl)ccc1[O-])C(=O)OC ZINC000184305759 618765329 /nfs/dbraw/zinc/76/53/29/618765329.db2.gz XQETZTRTNVPOST-GFQQVXNGSA-N -1 3 283.755 3.196 20 0 CGADHM CC1(C)CCC[C@@H](CC(=O)[N-]OCc2cccnc2)C1 ZINC000161040592 618869959 /nfs/dbraw/zinc/86/99/59/618869959.db2.gz LRTJBTFOPYOVSW-ZDUSSCGKSA-N -1 3 276.380 3.236 20 0 CGADHM CCCC[C@@H](CC)CC(=O)N1CCCc2c(=O)[n-]cnc21 ZINC000893216002 619032818 /nfs/dbraw/zinc/03/28/18/619032818.db2.gz LVQLYVHCBSXLKQ-GFCCVEGCSA-N -1 3 291.395 3.068 20 0 CGADHM CC[C@H](CC(=O)[N-]OCc1ccccn1)C(C)(C)C ZINC000909518419 619809147 /nfs/dbraw/zinc/80/91/47/619809147.db2.gz ZMLCVSDIBBSPAY-GFCCVEGCSA-N -1 3 264.369 3.092 20 0 CGADHM O=C(Nc1cc(Br)ccc1[O-])C1(C2CC2)CC1 ZINC000896845236 620076274 /nfs/dbraw/zinc/07/62/74/620076274.db2.gz WKQSMHXSQRXUBV-UHFFFAOYSA-N -1 3 296.164 3.283 20 0 CGADHM [O-]c1ccccc1-c1nc([C@@H]2CCOC3(CCC3)C2)no1 ZINC000897106517 620145343 /nfs/dbraw/zinc/14/53/43/620145343.db2.gz FTVMNFYVMLREQD-LLVKDONJSA-N -1 3 286.331 3.259 20 0 CGADHM O=C(Nc1ccc(Cl)cc1[O-])[C@@H]1CCOC2(CCC2)C1 ZINC000897193262 620157764 /nfs/dbraw/zinc/15/77/64/620157764.db2.gz YDIIRQCQSOKFEW-SNVBAGLBSA-N -1 3 295.766 3.333 20 0 CGADHM Cc1ncsc1C(=O)[N-]c1c(C)noc1C(C)C ZINC000928786326 620219263 /nfs/dbraw/zinc/21/92/63/620219263.db2.gz JVHXIIFXLAQOJQ-UHFFFAOYSA-N -1 3 265.338 3.124 20 0 CGADHM C[C@H]1C[C@H](C(=O)[O-])CN(Cc2ccc(Cl)c(F)c2)C1 ZINC000263101586 620291435 /nfs/dbraw/zinc/29/14/35/620291435.db2.gz BAPWRICVMFTEFB-ONGXEEELSA-N -1 3 285.746 3.022 20 0 CGADHM C[C@@H]1C[C@H](c2cccnc2)N(Cc2cccc(C(=O)[O-])c2)C1 ZINC000263419295 620317887 /nfs/dbraw/zinc/31/78/87/620317887.db2.gz OHJGVGVNTSXAJF-CXAGYDPISA-N -1 3 296.370 3.363 20 0 CGADHM CCCCC[C@H](C)CC(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898216053 620488932 /nfs/dbraw/zinc/48/89/32/620488932.db2.gz LYKXESLPQKADLP-QWHCGFSZSA-N -1 3 293.411 3.038 20 0 CGADHM CCc1ccc(CCC(=O)[N-]OCc2cccc(C)n2)cc1 ZINC000898937760 620611027 /nfs/dbraw/zinc/61/10/27/620611027.db2.gz JRTHHLHFVZMJJA-UHFFFAOYSA-N -1 3 298.386 3.133 20 0 CGADHM C/C(=C(\F)C(=O)Nc1cccc([O-])c1F)C1CC1 ZINC000901241972 620845575 /nfs/dbraw/zinc/84/55/75/620845575.db2.gz CSKGGAJQAFXFIH-YRNVUSSQSA-N -1 3 253.248 3.123 20 0 CGADHM CSc1ccc(CN2CCC[C@H](CCC(=O)[O-])C2)o1 ZINC000901551329 620935346 /nfs/dbraw/zinc/93/53/46/620935346.db2.gz FDLFZADDWUUGHA-LLVKDONJSA-N -1 3 283.393 3.078 20 0 CGADHM C[C@H](C[N@H+](Cc1ccccc1)Cc1ccccc1[O-])C(=O)[O-] ZINC000901580852 620946213 /nfs/dbraw/zinc/94/62/13/620946213.db2.gz PWBDWTJYAOUITE-CQSZACIVSA-N -1 3 299.370 3.115 20 0 CGADHM C[C@H](C[N@@H+](Cc1ccccc1)Cc1ccccc1[O-])C(=O)[O-] ZINC000901580852 620946219 /nfs/dbraw/zinc/94/62/19/620946219.db2.gz PWBDWTJYAOUITE-CQSZACIVSA-N -1 3 299.370 3.115 20 0 CGADHM O=C([O-])CC[C@H](CC1CCCCC1)NCc1cscn1 ZINC000901901682 621064323 /nfs/dbraw/zinc/06/43/23/621064323.db2.gz FAKULSRWDFXXMB-CYBMUJFWSA-N -1 3 296.436 3.437 20 0 CGADHM O=C([O-])c1csc(CN[C@H]2CCc3cc(F)ccc32)c1 ZINC000902173512 621185477 /nfs/dbraw/zinc/18/54/77/621185477.db2.gz UXCFZSVRIWKXNA-AWEZNQCLSA-N -1 3 291.347 3.363 20 0 CGADHM C[C@H]1CCN(Cc2ccc(C(=O)[O-])cc2C(F)(F)F)C1 ZINC000902240816 621203859 /nfs/dbraw/zinc/20/38/59/621203859.db2.gz RAHDEKBBAWETAX-VIFPVBQESA-N -1 3 287.281 3.245 20 0 CGADHM O=C([O-])c1csc(CN[C@H]2CCc3ccc(F)cc32)c1 ZINC000902235779 621205792 /nfs/dbraw/zinc/20/57/92/621205792.db2.gz NGXXISNZTAKMAP-AWEZNQCLSA-N -1 3 291.347 3.363 20 0 CGADHM C[C@@H]1CSCCN(Cc2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC000902405159 621308730 /nfs/dbraw/zinc/30/87/30/621308730.db2.gz LKLAXLFAPOIUBO-JTQLQIEISA-N -1 3 299.823 3.223 20 0 CGADHM Oc1[n-]c(SCC2CCC3(CC3)CC2)nc2nncc1-2 ZINC000902696133 621396780 /nfs/dbraw/zinc/39/67/80/621396780.db2.gz YZXVOGSPTHIHDF-UHFFFAOYSA-N -1 3 290.392 3.121 20 0 CGADHM CC[C@H](C)[C@@H](C(=O)[O-])N(CC)Cc1c(F)cccc1F ZINC000903596075 621774614 /nfs/dbraw/zinc/77/46/14/621774614.db2.gz QVXGROHDOOXCKA-HZMBPMFUSA-N -1 3 285.334 3.286 20 0 CGADHM CC(C)(/C=C/Cl)NCc1cccc(C(=O)[O-])c1 ZINC000903709122 621795456 /nfs/dbraw/zinc/79/54/56/621795456.db2.gz CBTHWIQVYUDRHD-VOTSOKGWSA-N -1 3 253.729 3.006 20 0 CGADHM CN(Cc1cccs1)[C@H](CCc1ccccc1)C(=O)[O-] ZINC000903886135 621826995 /nfs/dbraw/zinc/82/69/95/621826995.db2.gz XTWIUWSPBQAFDF-OAHLLOKOSA-N -1 3 289.400 3.266 20 0 CGADHM O=C([O-])c1cccc2c1CCN(CCc1cccc(F)c1)C2 ZINC000903906165 621831664 /nfs/dbraw/zinc/83/16/64/621831664.db2.gz FBQXZGNLMGNGHZ-UHFFFAOYSA-N -1 3 299.345 3.125 20 0 CGADHM C[C@@H]1C[C@H](C)N(Cc2ccncc2Cl)[C@H](C)[C@@H]1C(=O)[O-] ZINC000903952661 621842737 /nfs/dbraw/zinc/84/27/37/621842737.db2.gz SWQLTSFEJDZCJT-FBKDDSFISA-N -1 3 296.798 3.055 20 0 CGADHM Cc1ccc(CN[C@H]2C=CC[C@H](C(=O)[O-])C2)c(Cl)c1 ZINC000904035106 621857003 /nfs/dbraw/zinc/85/70/03/621857003.db2.gz DIQLNMGWASLCRU-AAEUAGOBSA-N -1 3 279.767 3.157 20 0 CGADHM O=C([O-])[C@@H]1CC=C[C@@H](NCc2ccc(-c3ccccc3)o2)C1 ZINC000904036705 621857690 /nfs/dbraw/zinc/85/76/90/621857690.db2.gz QIJHFTJZRBQULW-HUUCEWRRSA-N -1 3 297.354 3.456 20 0 CGADHM COc1ccc(C)cc1CN[C@@H](C(=O)[O-])c1cccc(C)c1 ZINC000904263463 621894025 /nfs/dbraw/zinc/89/40/25/621894025.db2.gz ZDJFKGBGTWUUSH-QGZVFWFLSA-N -1 3 299.370 3.228 20 0 CGADHM C[C@@H]1C[C@H](COC(=O)c2cc3occc3[n-]2)C[C@H](C)O1 ZINC000909254709 622411957 /nfs/dbraw/zinc/41/19/57/622411957.db2.gz DDUKFASSSABDOC-URLYPYJESA-N -1 3 277.320 3.121 20 0 CGADHM COc1cccc([O-])c1C(=O)N1CCC(C2CCC2)CC1 ZINC000912388282 622645676 /nfs/dbraw/zinc/64/56/76/622645676.db2.gz KYKKZMSQIFSMAH-UHFFFAOYSA-N -1 3 289.375 3.053 20 0 CGADHM CC[C@@H]1CCCC[C@H]1C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000913356838 622762382 /nfs/dbraw/zinc/76/23/82/622762382.db2.gz FEDRREUYRCOPKJ-VXGBXAGGSA-N -1 3 299.378 3.022 20 0 CGADHM CC[C@@H]1CCCC[C@H]1C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000913356838 622762388 /nfs/dbraw/zinc/76/23/88/622762388.db2.gz FEDRREUYRCOPKJ-VXGBXAGGSA-N -1 3 299.378 3.022 20 0 CGADHM C[C@H](NCCC1CCCCC1)c1ncc(C(=O)[O-])s1 ZINC000314810795 623664826 /nfs/dbraw/zinc/66/48/26/623664826.db2.gz OVRHEXBLJPYMQD-JTQLQIEISA-N -1 3 282.409 3.462 20 0 CGADHM O=C([N-]Cc1ccc(Cl)o1)C(F)(F)c1ccccc1 ZINC000916040297 624104215 /nfs/dbraw/zinc/10/42/15/624104215.db2.gz ZJLMEJOXYAYSCR-UHFFFAOYSA-N -1 3 285.677 3.341 20 0 CGADHM CCO[N-]C(=O)CCCc1ccc(Cl)c(Cl)c1 ZINC000916737675 624210259 /nfs/dbraw/zinc/21/02/59/624210259.db2.gz ZSJIGECLPKZOIY-UHFFFAOYSA-N -1 3 276.163 3.384 20 0 CGADHM C[C@H]1CCC(C)(C)N1C(=O)NCc1ccc([O-])c(F)c1 ZINC000919747186 624421772 /nfs/dbraw/zinc/42/17/72/624421772.db2.gz JKLIPWHTQBYJOE-JTQLQIEISA-N -1 3 280.343 3.004 20 0 CGADHM O=C(OCc1nccs1)c1cc(Cl)c(Cl)[n-]1 ZINC000920122900 624449579 /nfs/dbraw/zinc/44/95/79/624449579.db2.gz ZHYDZOWCALFZRV-UHFFFAOYSA-N -1 3 277.132 3.135 20 0 CGADHM CCC[C@H](NC(=O)c1nnc2ccccc2c1[O-])C1CCC1 ZINC000838313107 626211461 /nfs/dbraw/zinc/21/14/61/626211461.db2.gz UKLJECVQTXHYCL-ZDUSSCGKSA-N -1 3 299.374 3.034 20 0 CGADHM O=C([O-])[C@H]1C[C@@H](NCc2ccc(Oc3ccccc3)o2)C1 ZINC000874046046 634509188 /nfs/dbraw/zinc/50/91/88/634509188.db2.gz MAVFULDKLRNBJZ-TXEJJXNPSA-N -1 3 287.315 3.025 20 0 CGADHM CCCCC[C@H](C(=O)[N-]O[C@@H]1CCCCO1)C(C)C ZINC000755281733 626611703 /nfs/dbraw/zinc/61/17/03/626611703.db2.gz UZUCGQYHKVOELN-UONOGXRCSA-N -1 3 271.401 3.413 20 0 CGADHM O=C([O-])[C@H](NCc1cccc(F)c1)c1ccc(Cl)cc1 ZINC000756332243 626692829 /nfs/dbraw/zinc/69/28/29/626692829.db2.gz GPFNAHMRWDEBBZ-CQSZACIVSA-N -1 3 293.725 3.395 20 0 CGADHM O=C(C[C@@H](c1ccc(O)cc1)C1CC1)[N-]OC/C=C\Cl ZINC000839776221 626786990 /nfs/dbraw/zinc/78/69/90/626786990.db2.gz ZAJYMDDQUMJKSX-DFRBSWFUSA-N -1 3 295.766 3.076 20 0 CGADHM Cc1ccc(-c2cc(C(=O)O[C@H](C)c3ccncc3)n[n-]2)o1 ZINC000757685893 626800635 /nfs/dbraw/zinc/80/06/35/626800635.db2.gz BFHSOXKNOZWIEQ-LLVKDONJSA-N -1 3 297.314 3.291 20 0 CGADHM Cc1ccc(-c2cc(C(=O)O[C@H](C)c3ccncc3)[n-]n2)o1 ZINC000757685893 626800638 /nfs/dbraw/zinc/80/06/38/626800638.db2.gz BFHSOXKNOZWIEQ-LLVKDONJSA-N -1 3 297.314 3.291 20 0 CGADHM C[C@@H]([N-]c1nc(-c2ccccc2)no1)c1ccc[nH]1 ZINC000760271361 626952171 /nfs/dbraw/zinc/95/21/71/626952171.db2.gz CHNMIUBDNUEIRM-SNVBAGLBSA-N -1 3 254.293 3.238 20 0 CGADHM C/C=C(\C)C(=O)Oc1cccc(-c2nc(C)cc(=O)[n-]2)c1 ZINC000760998691 627007867 /nfs/dbraw/zinc/00/78/67/627007867.db2.gz SPZADPDZWVWOSK-ONNFQVAWSA-N -1 3 284.315 3.029 20 0 CGADHM Cc1ccncc1COC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000762120161 627091789 /nfs/dbraw/zinc/09/17/89/627091789.db2.gz KNQZOUPNUHYTJM-UHFFFAOYSA-N -1 3 285.130 3.382 20 0 CGADHM COc1ccc(Cl)cc1C=Cc1nccc(=O)[n-]1 ZINC000764442685 627207819 /nfs/dbraw/zinc/20/78/19/627207819.db2.gz PWPZCGQRUKRMMZ-GORDUTHDSA-N -1 3 262.696 3.015 20 0 CGADHM CSC[C@@H](C)COC(=O)c1cc(-c2ccc(C)o2)[n-]n1 ZINC000835672511 634586831 /nfs/dbraw/zinc/58/68/31/634586831.db2.gz XFPTTXYLEYQCRG-VIFPVBQESA-N -1 3 294.376 3.134 20 0 CGADHM CSC[C@@H](C)COC(=O)c1cc(-c2ccc(C)o2)n[n-]1 ZINC000835672511 634586838 /nfs/dbraw/zinc/58/68/38/634586838.db2.gz XFPTTXYLEYQCRG-VIFPVBQESA-N -1 3 294.376 3.134 20 0 CGADHM CCc1cccc(C(=O)Nc2cccc(OC)c2F)c1[O-] ZINC000771522587 627716480 /nfs/dbraw/zinc/71/64/80/627716480.db2.gz INBCFSKFUUUUQB-UHFFFAOYSA-N -1 3 289.306 3.355 20 0 CGADHM Cc1ccc(C(=O)CCC(=O)[N-]Oc2ccccc2)s1 ZINC000774277215 627971632 /nfs/dbraw/zinc/97/16/32/627971632.db2.gz ZZUPDPUCWDIBPY-UHFFFAOYSA-N -1 3 289.356 3.130 20 0 CGADHM CC(C)(CC(=O)[N-]OC1CCCC1)c1ccccc1 ZINC000774870014 628045114 /nfs/dbraw/zinc/04/51/14/628045114.db2.gz VIRZKTQNURQKMG-UHFFFAOYSA-N -1 3 261.365 3.345 20 0 CGADHM CCCCC[C@@H](CC)C(=O)Nc1ncccc1[O-] ZINC000776222208 628182486 /nfs/dbraw/zinc/18/24/86/628182486.db2.gz CELKHWMJMBEJNC-LLVKDONJSA-N -1 3 250.342 3.332 20 0 CGADHM O=C(C[C@H]1CCOc2ccccc21)[N-]OC1CCCCC1 ZINC000777961473 628315541 /nfs/dbraw/zinc/31/55/41/628315541.db2.gz OJRQFSOMVHSBAB-CYBMUJFWSA-N -1 3 289.375 3.323 20 0 CGADHM C[C@H](OC(=O)c1cnn[n-]1)c1ccc(Cl)cc1Cl ZINC000805604733 628341294 /nfs/dbraw/zinc/34/12/94/628341294.db2.gz QBGQVHWOSGFRRP-LURJTMIESA-N -1 3 286.118 3.030 20 0 CGADHM C[C@H](OC(=O)c1c[n-]nn1)c1ccc(Cl)cc1Cl ZINC000805604733 628341297 /nfs/dbraw/zinc/34/12/97/628341297.db2.gz QBGQVHWOSGFRRP-LURJTMIESA-N -1 3 286.118 3.030 20 0 CGADHM CCC1(C(=O)[N-]OCCC(F)(F)F)CCCCC1 ZINC000779336315 628408511 /nfs/dbraw/zinc/40/85/11/628408511.db2.gz ZECQAARAFYRIBM-UHFFFAOYSA-N -1 3 267.291 3.347 20 0 CGADHM CCOC(=O)c1ccc(NC(=O)/C(C)=C(\C)CC)c([O-])c1 ZINC000780994241 628528933 /nfs/dbraw/zinc/52/89/33/628528933.db2.gz RJEFOIRYXVGXII-ZHACJKMWSA-N -1 3 291.347 3.254 20 0 CGADHM O=C(OCCCc1ccccc1Cl)c1cncc([O-])c1 ZINC000785315340 628857445 /nfs/dbraw/zinc/85/74/45/628857445.db2.gz HXXVKLAFFXKTNO-UHFFFAOYSA-N -1 3 291.734 3.230 20 0 CGADHM O=C(OC[C@@H]1CC1(Cl)Cl)c1cc2occc2[n-]1 ZINC000786027360 628908240 /nfs/dbraw/zinc/90/82/40/628908240.db2.gz BTNVUYCOIKLDPP-LURJTMIESA-N -1 3 274.103 3.112 20 0 CGADHM C/C=C(/CC)C(=O)Oc1cccc(-c2nc(C)cc(=O)[n-]2)c1 ZINC000789385171 629129300 /nfs/dbraw/zinc/12/93/00/629129300.db2.gz XLPLTEGKFWDNKG-QCDXTXTGSA-N -1 3 298.342 3.419 20 0 CGADHM O=C1[N-]C(=O)/C(=C/c2ccsc2Cl)c2ccccc21 ZINC000790215421 629194449 /nfs/dbraw/zinc/19/44/49/629194449.db2.gz QQWMQXVAFDYLBI-YRNVUSSQSA-N -1 3 289.743 3.212 20 0 CGADHM C[C@@H](Cc1ccco1)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000792053378 629334421 /nfs/dbraw/zinc/33/44/21/629334421.db2.gz VHURMDGIDCACBZ-LBPRGKRZSA-N -1 3 295.338 3.499 20 0 CGADHM C[C@@H]1CCN(C(=O)c2cc([O-])c3ccccc3c2)C[C@H]1F ZINC000792304261 629354647 /nfs/dbraw/zinc/35/46/47/629354647.db2.gz VUZINCWPHPJWFB-IAQYHMDHSA-N -1 3 287.334 3.366 20 0 CGADHM CCCCC[C@](C)(CC)C(=O)NCc1ncccc1[O-] ZINC000792609565 629370223 /nfs/dbraw/zinc/37/02/23/629370223.db2.gz CJVCKSCTKASTCH-INIZCTEOSA-N -1 3 278.396 3.400 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)C[C@@H](C)c1cccc(OC)c1 ZINC000794850446 629587482 /nfs/dbraw/zinc/58/74/82/629587482.db2.gz DCTUJBONCHMMTM-CHWSQXEVSA-N -1 3 279.380 3.283 20 0 CGADHM CCc1ccc(C(=O)CCC(=O)[N-]OC[C@H](C)CC)cc1 ZINC000794853512 629588669 /nfs/dbraw/zinc/58/86/69/629588669.db2.gz RKOMKSOMJJPDJW-CYBMUJFWSA-N -1 3 291.391 3.306 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)CCCOc1ccccc1F ZINC000794862763 629590957 /nfs/dbraw/zinc/59/09/57/629590957.db2.gz GECYNNJZPHWEFK-LBPRGKRZSA-N -1 3 283.343 3.079 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)Cc1ccccc1SC ZINC000794867197 629591536 /nfs/dbraw/zinc/59/15/36/629591536.db2.gz XEVCYWGSNCNCCB-LLVKDONJSA-N -1 3 267.394 3.045 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)C[C@H](C)c1ccc(F)cc1 ZINC000794875090 629593297 /nfs/dbraw/zinc/59/32/97/629593297.db2.gz LSAVWMWMBSVGNM-NEPJUHHUSA-N -1 3 267.344 3.413 20 0 CGADHM O=[S@](CC1CC2(CCC2)C1)c1ccc([O-])cc1 ZINC000864471565 629839185 /nfs/dbraw/zinc/83/91/85/629839185.db2.gz FKAMCHSTUJFPIL-QGZVFWFLSA-N -1 3 250.363 3.080 20 0 CGADHM O=C([N-]OCc1ccc(F)cc1)C1(C2CCC2)CCC1 ZINC000836783747 634801703 /nfs/dbraw/zinc/80/17/03/634801703.db2.gz FWJMWLKCWWOLGV-UHFFFAOYSA-N -1 3 277.339 3.344 20 0 CGADHM C/C(=C\Cl)CSCc1cc(=O)[n-]c(C2CC2)n1 ZINC000840206731 630933417 /nfs/dbraw/zinc/93/34/17/630933417.db2.gz JDSCOWFWKVZOAC-VMPITWQZSA-N -1 3 270.785 3.435 20 0 CGADHM C[C@]1(OC(=O)c2cc3cc(Cl)sc3[n-]2)CCOC1 ZINC000810874504 630969379 /nfs/dbraw/zinc/96/93/79/630969379.db2.gz FSONCCKEFHQVKO-LBPRGKRZSA-N -1 3 285.752 3.219 20 0 CGADHM CCCCc1ccc(CC(=O)[N-]OC/C=C\Cl)cc1 ZINC000812399463 631244852 /nfs/dbraw/zinc/24/48/52/631244852.db2.gz PBYAJCBDIHYUMC-WMZJFQQLSA-N -1 3 281.783 3.372 20 0 CGADHM O=C(CCc1ccc(Cl)s1)[N-]OC/C=C\Cl ZINC000812404920 631246246 /nfs/dbraw/zinc/24/62/46/631246246.db2.gz MGLRMJTXWBPZEH-BHQIHCQQSA-N -1 3 280.176 3.134 20 0 CGADHM O=C(Cc1cc(Cl)ccc1Cl)[N-]OC/C=C/Cl ZINC000812406622 631247467 /nfs/dbraw/zinc/24/74/67/631247467.db2.gz RSXQRPBKBMFICM-DAFODLJHSA-N -1 3 294.565 3.336 20 0 CGADHM O=C(Cc1ccc(Cl)c(Cl)c1)[N-]OC/C=C/Cl ZINC000812405953 631247770 /nfs/dbraw/zinc/24/77/70/631247770.db2.gz LMBARTOLOZOQQX-DAFODLJHSA-N -1 3 294.565 3.336 20 0 CGADHM [O-]c1ccc(F)c(CNc2ccc3c(c2)OCCO3)c1F ZINC000816537165 632006077 /nfs/dbraw/zinc/00/60/77/632006077.db2.gz VQTMXDBFOUHTQC-UHFFFAOYSA-N -1 3 293.269 3.054 20 0 CGADHM O=C(Nc1c([O-])cccc1Cl)c1ccnc(Cl)c1 ZINC000816768866 632049201 /nfs/dbraw/zinc/04/92/01/632049201.db2.gz KRJJDNIEYVRVNA-UHFFFAOYSA-N -1 3 283.114 3.346 20 0 CGADHM CC(=O)c1ccc(C(=O)NC2CCCCCCC2)cc1[O-] ZINC000816820479 632055071 /nfs/dbraw/zinc/05/50/71/632055071.db2.gz ODVWMRPQFOHHNH-UHFFFAOYSA-N -1 3 289.375 3.438 20 0 CGADHM C[C@@H](CC(=O)[N-]OCC1CC1)Cc1ccc(Cl)cc1 ZINC000817362594 632131275 /nfs/dbraw/zinc/13/12/75/632131275.db2.gz NQFZIRUZNXAFEZ-LLVKDONJSA-N -1 3 281.783 3.367 20 0 CGADHM O=C(CCc1cc(Cl)cs1)[N-]OCCC1CC1 ZINC000817388030 632136348 /nfs/dbraw/zinc/13/63/48/632136348.db2.gz OBZCMHZXCQYCRZ-UHFFFAOYSA-N -1 3 273.785 3.182 20 0 CGADHM C[C@H](NC(=O)c1ccc(N)cc1[O-])C(C)(C)c1ccccc1 ZINC000817932111 632236185 /nfs/dbraw/zinc/23/61/85/632236185.db2.gz QAHQJTYAGGFYCN-LBPRGKRZSA-N -1 3 298.386 3.071 20 0 CGADHM CCC(F)(F)C(=O)[N-][C@@H](C)c1c(F)cccc1F ZINC000821048237 632717219 /nfs/dbraw/zinc/71/72/19/632717219.db2.gz AJIUXHPBSMOLOF-ZETCQYMHSA-N -1 3 263.234 3.187 20 0 CGADHM O=C(Cc1csc(C2CC2)n1)Nc1cccc([O-])c1F ZINC000821393674 632763973 /nfs/dbraw/zinc/76/39/73/632763973.db2.gz ABEIKSUSLOYJEY-UHFFFAOYSA-N -1 3 292.335 3.046 20 0 CGADHM O=C([N-]c1cccc2nonc21)c1conc1C1CCCC1 ZINC000868044839 633291236 /nfs/dbraw/zinc/29/12/36/633291236.db2.gz RUSSHXYAIVVSSH-UHFFFAOYSA-N -1 3 298.302 3.121 20 0 CGADHM CCC(F)(F)C(=O)[N-]Cc1ccc(F)c(Cl)c1 ZINC000825308860 633344023 /nfs/dbraw/zinc/34/40/23/633344023.db2.gz GKRWCSBAWHSRCI-UHFFFAOYSA-N -1 3 265.662 3.141 20 0 CGADHM COCC[C@H](C)Sc1cccc(Cl)c1-c1nnn[n-]1 ZINC000826153881 633408733 /nfs/dbraw/zinc/40/87/33/633408733.db2.gz CFMFAWRTFZQRFS-QMMMGPOBSA-N -1 3 298.799 3.037 20 0 CGADHM COCC[C@H](C)Sc1cccc(Cl)c1-c1nn[n-]n1 ZINC000826153881 633408738 /nfs/dbraw/zinc/40/87/38/633408738.db2.gz CFMFAWRTFZQRFS-QMMMGPOBSA-N -1 3 298.799 3.037 20 0 CGADHM CO[C@@H](CNCc1c(F)ccc([O-])c1F)C1CCCCC1 ZINC000827674615 633510160 /nfs/dbraw/zinc/51/01/60/633510160.db2.gz UIJXKPYLYUBHOP-HNNXBMFYSA-N -1 3 299.361 3.355 20 0 CGADHM CO[C@@H]1CC[C@@H](C)N(C(=O)c2ccc(C(C)C)cc2[O-])C1 ZINC000870720295 633635212 /nfs/dbraw/zinc/63/52/12/633635212.db2.gz OJLDQJBEIBGIBT-TZMCWYRMSA-N -1 3 291.391 3.155 20 0 CGADHM O=C([N-]OCC(F)F)C1=C(c2ccccc2)CCCC1 ZINC000829283582 633719011 /nfs/dbraw/zinc/71/90/11/633719011.db2.gz SEKFSKVRXCHMRJ-UHFFFAOYSA-N -1 3 281.302 3.327 20 0 CGADHM O=C(NC1CC2(CSC2)C1)c1cc([O-])c2ccccc2c1 ZINC000871506472 633778298 /nfs/dbraw/zinc/77/82/98/633778298.db2.gz MQEHREGCUUOYET-UHFFFAOYSA-N -1 3 299.395 3.171 20 0 CGADHM CC(C)(C)Sc1c(F)cc([N-]S(C)(=O)=O)cc1F ZINC000830100884 633823993 /nfs/dbraw/zinc/82/39/93/633823993.db2.gz HLJKDJUOTNVVQE-UHFFFAOYSA-N -1 3 295.376 3.227 20 0 CGADHM CCOc1cccc(F)c1CNC[C@H](CC(C)C)C(=O)[O-] ZINC000871874820 633906081 /nfs/dbraw/zinc/90/60/81/633906081.db2.gz WMTNTOKRNBTSMP-LBPRGKRZSA-N -1 3 297.370 3.061 20 0 CGADHM CCCC[C@@](C)(F)C(=O)Nc1cc(F)ccc1[O-] ZINC000831256125 633934269 /nfs/dbraw/zinc/93/42/69/633934269.db2.gz JPJQKROQQBEEMF-CYBMUJFWSA-N -1 3 257.280 3.388 20 0 CGADHM Cc1cnc(CN[C@@H](C)c2cccc([O-])c2F)s1 ZINC000872038537 633958171 /nfs/dbraw/zinc/95/81/71/633958171.db2.gz MFMRGXPNVLKQGV-VIFPVBQESA-N -1 3 266.341 3.147 20 0 CGADHM CC[C@@H]1CN(Cc2ccc(C)c(C(=O)[O-])c2)CCS1 ZINC000872158516 634069360 /nfs/dbraw/zinc/06/93/60/634069360.db2.gz DRNVVDJYHQUJCE-CYBMUJFWSA-N -1 3 279.405 3.021 20 0 CGADHM CCc1cccc(C(=O)N2CCC(F)(C3CC3)CC2)c1[O-] ZINC000834574053 634186871 /nfs/dbraw/zinc/18/68/71/634186871.db2.gz WCJHHHJONMOGCS-UHFFFAOYSA-N -1 3 291.366 3.309 20 0 CGADHM O=C(OCC1CC(F)(F)C1)c1cc(F)cc(Cl)c1[O-] ZINC000837559116 634934606 /nfs/dbraw/zinc/93/46/06/634934606.db2.gz PDUCEUMORBHBGY-UHFFFAOYSA-N -1 3 294.656 3.387 20 0 CGADHM CC(C)OC1(CNCc2c(F)ccc([O-])c2F)CCC1 ZINC000877808198 635212217 /nfs/dbraw/zinc/21/22/17/635212217.db2.gz XHWSDWIRDMHBQO-UHFFFAOYSA-N -1 3 285.334 3.108 20 0 CGADHM C=COc1ccc(NCc2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC000841699779 635215024 /nfs/dbraw/zinc/21/50/24/635215024.db2.gz KWPVNWOVIWZWME-UHFFFAOYSA-N -1 3 283.331 3.194 20 0 CGADHM CCc1noc(C)c1[N-]C(=O)c1cnc(CC2CC2)s1 ZINC000879289570 635748406 /nfs/dbraw/zinc/74/84/06/635748406.db2.gz DNUVXENFRFXHDI-UHFFFAOYSA-N -1 3 291.376 3.207 20 0 CGADHM Cc1ccc(C(=O)NCC[C@]2(C)C[C@]2(F)Cl)c([O-])c1 ZINC000844817050 635969999 /nfs/dbraw/zinc/96/99/99/635969999.db2.gz NQAVZLPCMZXLHC-ZIAGYGMSSA-N -1 3 285.746 3.135 20 0 CGADHM O=C(Nc1cccc([O-])c1F)[C@@H]1C[C@H]1c1ccccc1 ZINC000129113191 636154475 /nfs/dbraw/zinc/15/44/75/636154475.db2.gz ZMYNWZNWILZHEE-NWDGAFQWSA-N -1 3 271.291 3.274 20 0 CGADHM C/C(=C/CN1CCc2c(cccc2C(C)C)C1)C(=O)[O-] ZINC000846259210 636169233 /nfs/dbraw/zinc/16/92/33/636169233.db2.gz MWCPDIVYNUDUOQ-QPEQYQDCSA-N -1 3 273.376 3.199 20 0 CGADHM C[C@@H](O)[C@H]([N-]c1nnc(C(C)(C)C)o1)c1ccccc1F ZINC000882522975 636348712 /nfs/dbraw/zinc/34/87/12/636348712.db2.gz GRGUVYFJBDVWLT-SKDRFNHKSA-N -1 3 293.342 3.040 20 0 CGADHM COc1ccc([O-])c(C(=O)Nc2cnc(Cl)c(C)c2)c1 ZINC000129919930 636392976 /nfs/dbraw/zinc/39/29/76/636392976.db2.gz RCNYSTQDXSOTQY-UHFFFAOYSA-N -1 3 292.722 3.010 20 0 CGADHM O=C(C[C@@H]1OCc2cc(Cl)ccc21)[N-]OCCC1CC1 ZINC000848128931 636533823 /nfs/dbraw/zinc/53/38/23/636533823.db2.gz LIZWBKCJBFINNT-AWEZNQCLSA-N -1 3 295.766 3.149 20 0 CGADHM COC[C@@H](CC(C)(C)C)NCc1c(F)ccc([O-])c1F ZINC000848926467 636699076 /nfs/dbraw/zinc/69/90/76/636699076.db2.gz QMXJOYLWUUUVPU-SNVBAGLBSA-N -1 3 287.350 3.211 20 0 CGADHM Cc1cc(C=Cc2nccc(=O)[n-]2)cc(C)c1OC(F)F ZINC000131742353 636744141 /nfs/dbraw/zinc/74/41/41/636744141.db2.gz PJCVXCIAHIVLID-ONEGZZNKSA-N -1 3 292.285 3.159 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)OC[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000849796460 636878004 /nfs/dbraw/zinc/87/80/04/636878004.db2.gz WSOQQUCZXLKWOV-UPJWGTAASA-N -1 3 278.323 3.053 20 0 CGADHM [O-]c1coc2cc(OCC[C@@H]3CC3(Cl)Cl)ccc12 ZINC000853745087 637907263 /nfs/dbraw/zinc/90/72/63/637907263.db2.gz LFOTXVMMGBXEGO-MRVPVSSYSA-N -1 3 287.142 3.224 20 0 CGADHM C[C@H]1C[C@H]1c1ccc(CCC(=O)[N-]Oc2ccccc2)o1 ZINC000854538678 638069668 /nfs/dbraw/zinc/06/96/68/638069668.db2.gz MEHGSEFYUYJOBC-SWLSCSKDSA-N -1 3 285.343 3.446 20 0 CGADHM O=C(CCc1cccc(Cl)c1)[N-]OCC1CCC1 ZINC000856344338 638345859 /nfs/dbraw/zinc/34/58/59/638345859.db2.gz INLIFSFJKMWRHW-UHFFFAOYSA-N -1 3 267.756 3.121 20 0 CGADHM COc1ccccc1C[C@@H](C)CC(=O)[N-]OCC1CCC1 ZINC000856347284 638347806 /nfs/dbraw/zinc/34/78/06/638347806.db2.gz KPEVPSGOAXEJCC-CYBMUJFWSA-N -1 3 291.391 3.112 20 0 CGADHM CC[C@@H](CC(=O)[N-]OCC1CCC1)c1ccc(OC)cc1 ZINC000856348265 638348257 /nfs/dbraw/zinc/34/82/57/638348257.db2.gz BKNGBVRFHVGFJT-AWEZNQCLSA-N -1 3 291.391 3.427 20 0 CGADHM C[C@H](CC(=O)[N-]OCC1CCC1)c1cccc(F)c1 ZINC000856348750 638349109 /nfs/dbraw/zinc/34/91/09/638349109.db2.gz CWJQMCSMPUYKPC-LLVKDONJSA-N -1 3 265.328 3.167 20 0 CGADHM CC(C)c1ccc(C(=O)N[C@@H]2CCC2(C)C)c([O-])c1 ZINC000857505765 638511736 /nfs/dbraw/zinc/51/17/36/638511736.db2.gz KUWDNMHVASXQEO-CQSZACIVSA-N -1 3 261.365 3.434 20 0 CGADHM CCOc1cccc(CCC(=O)[N-]OCc2ccccc2)c1 ZINC000858169177 638647703 /nfs/dbraw/zinc/64/77/03/638647703.db2.gz YHQAWYKDGAJQIX-UHFFFAOYSA-N -1 3 299.370 3.266 20 0 CGADHM Cc1noc(C(C)C)c1NC(=O)c1cccc(C)c1[O-] ZINC000928790085 638892645 /nfs/dbraw/zinc/89/26/45/638892645.db2.gz SRPMMLQSPMEREY-UHFFFAOYSA-N -1 3 274.320 3.373 20 0 CGADHM CCc1nnc([N-]C(=O)c2cnc(CC(C)C)s2)s1 ZINC000930413585 638995623 /nfs/dbraw/zinc/99/56/23/638995623.db2.gz AWQLAQFDYKWSJP-UHFFFAOYSA-N -1 3 296.421 3.008 20 0 CGADHM CSc1ccc(CN2CCC3(C[C@@H]3C(=O)[O-])CC2)s1 ZINC000859806840 639220504 /nfs/dbraw/zinc/22/05/04/639220504.db2.gz ORGVGOKVJSNVNN-LLVKDONJSA-N -1 3 297.445 3.157 20 0 CGADHM O=C([N-]OCc1ccc(C(F)(F)F)cc1)C12CC(C1)C2 ZINC000860312070 639326672 /nfs/dbraw/zinc/32/66/72/639326672.db2.gz FFNRFHWFFARMBJ-UHFFFAOYSA-N -1 3 285.265 3.053 20 0 CGADHM CCc1oc2ccccc2c1CC(=O)[N-]OCC(C)C ZINC000860345474 639334581 /nfs/dbraw/zinc/33/45/81/639334581.db2.gz IYOKWFGJVVSHID-UHFFFAOYSA-N -1 3 275.348 3.242 20 0 CGADHM O=C(Nc1cccc([O-])c1F)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC000935138557 639755103 /nfs/dbraw/zinc/75/51/03/639755103.db2.gz VBCUMIUAXOCVAK-RTCCRHLQSA-N -1 3 263.312 3.296 20 0 CGADHM Cc1ccc(C(=O)Nc2cnc(Cl)cc2C)c([O-])c1 ZINC000155562519 639939409 /nfs/dbraw/zinc/93/94/09/639939409.db2.gz YYPSNOZIGQMEFG-UHFFFAOYSA-N -1 3 276.723 3.310 20 0 CGADHM COc1ccc([O-])c(C(=O)Nc2ccc(Cl)nc2C)c1 ZINC000192489779 640374507 /nfs/dbraw/zinc/37/45/07/640374507.db2.gz JGHKAPGRCOUESV-UHFFFAOYSA-N -1 3 292.722 3.010 20 0 CGADHM Cc1ccc(CC(=O)[N-]O[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000194628698 640544162 /nfs/dbraw/zinc/54/41/62/640544162.db2.gz LAFXMALVRBCLME-AWEZNQCLSA-N -1 3 294.354 3.218 20 0 CGADHM O=C1[N-]C(=O)/C(=C\c2sccc2Cl)c2ccccc21 ZINC000195335571 640579039 /nfs/dbraw/zinc/57/90/39/640579039.db2.gz ZPQPYNKIJOVCIH-YFHOEESVSA-N -1 3 289.743 3.212 20 0 CGADHM CC(C)c1ccc(C(=O)N[C@@H]2C[C@H]2[C@@H]2C[C@H]2C)c([O-])c1 ZINC001155837898 805615536 /nfs/dbraw/zinc/61/55/36/805615536.db2.gz JXRFOSKCINYRON-QPKOPYBWSA-N -1 3 273.376 3.290 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2cnc(CC(C)C)s2)n1 ZINC001156123936 805654798 /nfs/dbraw/zinc/65/47/98/805654798.db2.gz YWSULRHOZVPTLF-UHFFFAOYSA-N -1 3 291.376 3.003 20 0 CGADHM COc1ccc(-c2ccc([O-])c(C(F)(F)F)c2)cn1 ZINC001250531258 805679470 /nfs/dbraw/zinc/67/94/70/805679470.db2.gz FRTHKOYSCSDNHB-UHFFFAOYSA-N -1 3 269.222 3.482 20 0 CGADHM COc1ccc2nc(-c3ccc([O-])c(F)c3F)[nH]c2c1 ZINC001250913089 805797128 /nfs/dbraw/zinc/79/71/28/805797128.db2.gz RVAHALCTDVEDLL-UHFFFAOYSA-N -1 3 276.242 3.222 20 0 CGADHM CN(C)c1ccc2[nH]c(-c3cccc([O-])c3F)nc2c1 ZINC001251255292 805872437 /nfs/dbraw/zinc/87/24/37/805872437.db2.gz LHFWGQYNGVBHIM-UHFFFAOYSA-N -1 3 271.295 3.141 20 0 CGADHM Cc1ccc(-c2nnc(-c3c([O-])cccc3O)o2)cc1 ZINC001252607702 806084336 /nfs/dbraw/zinc/08/43/36/806084336.db2.gz AETMDSRTYSJDNT-UHFFFAOYSA-N -1 3 268.272 3.123 20 0 CGADHM CCOC(=O)c1ccc(-c2nnc(-c3ccc(C)cc3)o2)[n-]1 ZINC001252680590 806101537 /nfs/dbraw/zinc/10/15/37/806101537.db2.gz LETDYNKRVQXUDF-UHFFFAOYSA-N -1 3 297.314 3.217 20 0 CGADHM CC(C)O[N-]C(=O)[C@](C)(Cc1ccccc1)C(C)C ZINC001159691292 806152449 /nfs/dbraw/zinc/15/24/49/806152449.db2.gz KEIBIZPQIHVYIB-MRXNPFEDSA-N -1 3 263.381 3.348 20 0 CGADHM CCc1ccc(-c2nnc(-c3cc(Cl)n[n-]3)o2)cc1 ZINC001253007887 806152751 /nfs/dbraw/zinc/15/27/51/806152751.db2.gz BQIYIBBOYFIIFE-UHFFFAOYSA-N -1 3 274.711 3.343 20 0 CGADHM CCCCC[C@@H](O)CNc1cc(F)c([O-])c(F)c1 ZINC001253537802 806240065 /nfs/dbraw/zinc/24/00/65/806240065.db2.gz BQWIATPZXPLPBN-SNVBAGLBSA-N -1 3 259.296 3.024 20 0 CGADHM CCC[C@@H](NC(=O)c1ccccc1[O-])C1CCCC1 ZINC001161494526 806385577 /nfs/dbraw/zinc/38/55/77/806385577.db2.gz LJWBFBAVVNNRNZ-CQSZACIVSA-N -1 3 261.365 3.481 20 0 CGADHM Cc1cccc2c1CCC[C@H]2NC(=O)c1c([O-])cccc1O ZINC001161683797 806416522 /nfs/dbraw/zinc/41/65/22/806416522.db2.gz QTCYCRXXLYAZGW-CQSZACIVSA-N -1 3 297.354 3.214 20 0 CGADHM [O-]c1cccc(O)c1-c1nnc([C@H]2C[C@H]2c2ccccc2)o1 ZINC001254515149 806434215 /nfs/dbraw/zinc/43/42/15/806434215.db2.gz XUSBQOYRYCTWJD-RYUDHWBXSA-N -1 3 294.310 3.419 20 0 CGADHM O=C(Nc1ccccc1C(F)F)c1cccc2n[n-]nc21 ZINC001162660578 806642108 /nfs/dbraw/zinc/64/21/08/806642108.db2.gz BQACQYHKHNXEOT-UHFFFAOYSA-N -1 3 288.257 3.148 20 0 CGADHM Cc1cccc([O-])c1C(=O)N[C@H]1C[C@]1(F)c1ccccc1 ZINC001162661436 806642428 /nfs/dbraw/zinc/64/24/28/806642428.db2.gz KYXCSKXBBBPBMA-YOEHRIQHSA-N -1 3 285.318 3.068 20 0 CGADHM Cc1ccc(CNc2[n-]c(=O)c(Cl)cc2Cl)cn1 ZINC001162866055 806676305 /nfs/dbraw/zinc/67/63/05/806676305.db2.gz VWKRQHVMMANITR-UHFFFAOYSA-N -1 3 284.146 3.410 20 0 CGADHM CCC[C@@H](NCc1csc(-c2ccsc2)n1)C(=O)[O-] ZINC000036839536 798851835 /nfs/dbraw/zinc/85/18/35/798851835.db2.gz IBQGQZRAMKNLRX-LLVKDONJSA-N -1 3 296.417 3.215 20 0 CGADHM C[C@H](CCC[C@H](C)NCc1nc2ccccc2o1)C(=O)[O-] ZINC000087678751 798947145 /nfs/dbraw/zinc/94/71/45/798947145.db2.gz XILLVGPLGIFECF-NEPJUHHUSA-N -1 3 290.363 3.197 20 0 CGADHM Nc1ccc(S(=O)(=O)[N-]c2ccc(C(F)F)cc2)cc1 ZINC000386252658 799434516 /nfs/dbraw/zinc/43/45/16/799434516.db2.gz SCPPEJZVUFNTSO-UHFFFAOYSA-N -1 3 298.314 3.007 20 0 CGADHM [O-]c1cc2c(cc1-c1nc(C3CCCCC3)no1)OCO2 ZINC000436894324 799612253 /nfs/dbraw/zinc/61/22/53/799612253.db2.gz SBZVXSINJXDOSO-UHFFFAOYSA-N -1 3 288.303 3.219 20 0 CGADHM Cc1cccc([O-])c1C(=O)NC[C@@H]1CCC[C@@H](C)C1 ZINC000706627832 799964039 /nfs/dbraw/zinc/96/40/39/799964039.db2.gz AGBZDINDCXSNGL-DGCLKSJQSA-N -1 3 261.365 3.257 20 0 CGADHM Cc1cccc([O-])c1C(=O)NC[C@H]1CCCC[C@H]1C ZINC000706621279 799964050 /nfs/dbraw/zinc/96/40/50/799964050.db2.gz BAOZJWWHXDANQO-DGCLKSJQSA-N -1 3 261.365 3.257 20 0 CGADHM Cc1cccc([O-])c1C(=O)NCC(C)(C)c1cccs1 ZINC000706648738 799964081 /nfs/dbraw/zinc/96/40/81/799964081.db2.gz YYUAQKMAZCPSMJ-UHFFFAOYSA-N -1 3 289.400 3.470 20 0 CGADHM C[C@]1(C(F)(F)F)CCN(Cc2cccc(C(=O)[O-])c2)C1 ZINC000708931171 800000619 /nfs/dbraw/zinc/00/06/19/800000619.db2.gz ZYKCDSBHTOIKFR-ZDUSSCGKSA-N -1 3 287.281 3.159 20 0 CGADHM CC(F)(F)CCCN1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000718612042 800218125 /nfs/dbraw/zinc/21/81/25/800218125.db2.gz ZMQSXUNTEBIYDQ-ZDUSSCGKSA-N -1 3 283.318 3.106 20 0 CGADHM CC(F)(F)CCCN1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000718612041 800218180 /nfs/dbraw/zinc/21/81/80/800218180.db2.gz ZMQSXUNTEBIYDQ-CYBMUJFWSA-N -1 3 283.318 3.106 20 0 CGADHM COc1ccc2ncc([O-])c(-c3nnc(CC(C)C)o3)c2c1 ZINC001256426599 806893670 /nfs/dbraw/zinc/89/36/70/806893670.db2.gz OPLIXFZSPJYXHG-UHFFFAOYSA-N -1 3 299.330 3.198 20 0 CGADHM COc1ccc2ncc([O-])c(-c3nnc([C@H]4C[C@H]4C)o3)c2c1 ZINC001256645665 806938249 /nfs/dbraw/zinc/93/82/49/806938249.db2.gz JNSMMHKESWKQQE-SCZZXKLOSA-N -1 3 297.314 3.122 20 0 CGADHM O=C(Nc1ccc(Cl)cc1[O-])c1cnoc1C1CC1 ZINC001116396492 802341240 /nfs/dbraw/zinc/34/12/40/802341240.db2.gz XEXATLPLDNMJCP-UHFFFAOYSA-N -1 3 278.695 3.163 20 0 CGADHM CCc1cccc(C(=O)Nc2cccc3c[nH]nc32)c1[O-] ZINC001116446397 802355125 /nfs/dbraw/zinc/35/51/25/802355125.db2.gz RDIXBQWMGQHRFN-UHFFFAOYSA-N -1 3 281.315 3.083 20 0 CGADHM Cc1cc(NC(=O)Nc2ccc([O-])c(Cl)c2)cc(C)n1 ZINC001116773903 802409468 /nfs/dbraw/zinc/40/94/68/802409468.db2.gz YSIZUIBPIYYJRK-UHFFFAOYSA-N -1 3 291.738 3.123 20 0 CGADHM [O-]c1cncc(NC(=S)Nc2ccc(F)c(Cl)c2)c1 ZINC001200577462 811715677 /nfs/dbraw/zinc/71/56/77/811715677.db2.gz YXIOQJXINSGYPA-UHFFFAOYSA-N -1 3 297.742 3.389 20 0 CGADHM CC(=O)c1cccc(NC(=O)C(C)(C)C(F)(F)F)c1[O-] ZINC001123880399 802977786 /nfs/dbraw/zinc/97/77/86/802977786.db2.gz OVLIPADYURCVDN-UHFFFAOYSA-N -1 3 289.253 3.122 20 0 CGADHM Cc1nc2c(-c3c([O-])cccc3Cl)cccn2n1 ZINC001244033101 803151693 /nfs/dbraw/zinc/15/16/93/803151693.db2.gz NDDVIHNQHKAIEQ-UHFFFAOYSA-N -1 3 259.696 3.064 20 0 CGADHM COc1cnc(F)cc1-c1c([O-])cccc1Cl ZINC001244033845 803153198 /nfs/dbraw/zinc/15/31/98/803153198.db2.gz SXBCXHSQQIVMDH-UHFFFAOYSA-N -1 3 253.660 3.255 20 0 CGADHM Fc1ccc(-c2ccc(-c3nnn[n-]3)cc2)c(F)c1Cl ZINC001244037554 803155332 /nfs/dbraw/zinc/15/53/32/803155332.db2.gz SKPFMQGWHZGBMO-UHFFFAOYSA-N -1 3 292.676 3.465 20 0 CGADHM Fc1ccc(-c2ccc(-c3nn[n-]n3)cc2)c(F)c1Cl ZINC001244037554 803155338 /nfs/dbraw/zinc/15/53/38/803155338.db2.gz SKPFMQGWHZGBMO-UHFFFAOYSA-N -1 3 292.676 3.465 20 0 CGADHM COC(=O)c1cncc(-c2c([O-])cccc2Cl)c1C ZINC001244047406 803159681 /nfs/dbraw/zinc/15/96/81/803159681.db2.gz DXXZONQBKISOTE-UHFFFAOYSA-N -1 3 277.707 3.203 20 0 CGADHM COC(=O)Cc1ccc(-c2ccc(Cl)cc2[O-])cc1 ZINC001244470056 803385902 /nfs/dbraw/zinc/38/59/02/803385902.db2.gz XLGDIXQZVKKLOL-UHFFFAOYSA-N -1 3 276.719 3.428 20 0 CGADHM COC(=O)c1ncc(F)cc1-c1ccc(Cl)cc1[O-] ZINC001244471983 803386828 /nfs/dbraw/zinc/38/68/28/803386828.db2.gz IVRGQCFAEJBRDA-UHFFFAOYSA-N -1 3 281.670 3.033 20 0 CGADHM CCOC(=O)Cc1cc(-c2ccc(Cl)cc2[O-])ccn1 ZINC001244473078 803388476 /nfs/dbraw/zinc/38/84/76/803388476.db2.gz QXFBGYXKEKRZGG-UHFFFAOYSA-N -1 3 291.734 3.213 20 0 CGADHM COC(=O)c1cc(F)c(C)nc1-c1cc(C)c(F)c([O-])c1 ZINC001244506321 803410148 /nfs/dbraw/zinc/41/01/48/803410148.db2.gz MRFFDTZIXPGZLG-UHFFFAOYSA-N -1 3 293.269 3.136 20 0 CGADHM Cc1cc(-c2cc(C3(C)OCCO3)ccn2)cc([O-])c1F ZINC001244508677 803411284 /nfs/dbraw/zinc/41/12/84/803411284.db2.gz VVJFBPXBDHANOM-UHFFFAOYSA-N -1 3 289.306 3.121 20 0 CGADHM CCOC(=O)Cc1ccc(-c2cc(C)c(F)c([O-])c2)nc1 ZINC001244507691 803411591 /nfs/dbraw/zinc/41/15/91/803411591.db2.gz WKURTNVOCZHBBN-UHFFFAOYSA-N -1 3 289.306 3.007 20 0 CGADHM Cc1cc(-c2cccc3c2C(=O)N(C)C3)cc([O-])c1F ZINC001244517727 803413385 /nfs/dbraw/zinc/41/33/85/803413385.db2.gz NBDSGTURSIAZNV-UHFFFAOYSA-N -1 3 271.291 3.092 20 0 CGADHM CCC(=O)Nc1cc(-c2cc(C)c(F)c([O-])c2)ccn1 ZINC001244526325 803420039 /nfs/dbraw/zinc/42/00/39/803420039.db2.gz XEBZXEQRBSZDSM-UHFFFAOYSA-N -1 3 274.295 3.250 20 0 CGADHM Cc1cc(-c2ccc(N(C)C)cn2)cc(Cl)c1[O-] ZINC001244532013 803423216 /nfs/dbraw/zinc/42/32/16/803423216.db2.gz UJMKZMIJDKRPOA-UHFFFAOYSA-N -1 3 262.740 3.482 20 0 CGADHM Cc1cc(Cl)c(N)c(-c2ccc(-c3nnn[n-]3)cc2C)c1 ZINC001244590850 803456783 /nfs/dbraw/zinc/45/67/83/803456783.db2.gz YRSFUNHTAWCFEC-UHFFFAOYSA-N -1 3 299.765 3.386 20 0 CGADHM Cc1cc(Cl)c(N)c(-c2ccc(-c3nn[n-]n3)cc2C)c1 ZINC001244590850 803456784 /nfs/dbraw/zinc/45/67/84/803456784.db2.gz YRSFUNHTAWCFEC-UHFFFAOYSA-N -1 3 299.765 3.386 20 0 CGADHM Fc1cccc2oc(-c3ccc(-c4nnn[n-]4)cc3)cc21 ZINC001244926267 803579274 /nfs/dbraw/zinc/57/92/74/803579274.db2.gz SYKIVQPCELBWQF-UHFFFAOYSA-N -1 3 280.262 3.419 20 0 CGADHM Fc1cccc2oc(-c3ccc(-c4nn[n-]n4)cc3)cc21 ZINC001244926267 803579278 /nfs/dbraw/zinc/57/92/78/803579278.db2.gz SYKIVQPCELBWQF-UHFFFAOYSA-N -1 3 280.262 3.419 20 0 CGADHM Clc1ccnc(Cl)c1-c1ccccc1-c1nnn[n-]1 ZINC001244938765 803583777 /nfs/dbraw/zinc/58/37/77/803583777.db2.gz PWPRNOVQPJPXLC-UHFFFAOYSA-N -1 3 292.129 3.236 20 0 CGADHM Clc1ccnc(Cl)c1-c1ccccc1-c1nn[n-]n1 ZINC001244938765 803583782 /nfs/dbraw/zinc/58/37/82/803583782.db2.gz PWPRNOVQPJPXLC-UHFFFAOYSA-N -1 3 292.129 3.236 20 0 CGADHM NCc1cccc(-c2cc(C(=O)[O-])c(Cl)cc2Cl)n1 ZINC001244999779 803609080 /nfs/dbraw/zinc/60/90/80/803609080.db2.gz IMXTWYMVXOEFBG-UHFFFAOYSA-N -1 3 297.141 3.212 20 0 CGADHM CC(C)NC(=O)c1cncc(-c2cc(Cl)ccc2[O-])c1 ZINC001245055517 803624567 /nfs/dbraw/zinc/62/45/67/803624567.db2.gz QIWYONDPCPJDQJ-UHFFFAOYSA-N -1 3 290.750 3.246 20 0 CGADHM [O-]c1ccc(-c2cncc(OC(F)F)n2)c(Cl)c1 ZINC001245078752 803633939 /nfs/dbraw/zinc/63/39/39/803633939.db2.gz FXGBEAXLIRNJPX-UHFFFAOYSA-N -1 3 272.638 3.104 20 0 CGADHM O=c1c(-c2ccc([O-])cc2Cl)cccn1CC1CC1 ZINC001245082374 803636466 /nfs/dbraw/zinc/63/64/66/803636466.db2.gz COCJXJILKCDWFN-UHFFFAOYSA-N -1 3 275.735 3.284 20 0 CGADHM COc1cnc(SC)nc1-c1ccc([O-])cc1Cl ZINC001245081176 803636669 /nfs/dbraw/zinc/63/66/69/803636669.db2.gz BPHPJIVBGXXRAE-UHFFFAOYSA-N -1 3 282.752 3.233 20 0 CGADHM NC(=O)c1cc(F)c(-c2ccc([O-])cc2Cl)cc1F ZINC001245081758 803636720 /nfs/dbraw/zinc/63/67/20/803636720.db2.gz KDUWCBDRXDPUKW-UHFFFAOYSA-N -1 3 283.661 3.090 20 0 CGADHM CC(=O)c1cccc(-c2ccc(C)c(-c3nnn[n-]3)c2)c1F ZINC001245153147 803653110 /nfs/dbraw/zinc/65/31/10/803653110.db2.gz XQKXRUIYLLVUMU-UHFFFAOYSA-N -1 3 296.305 3.184 20 0 CGADHM CC(=O)c1cccc(-c2ccc(C)c(-c3nn[n-]n3)c2)c1F ZINC001245153147 803653116 /nfs/dbraw/zinc/65/31/16/803653116.db2.gz XQKXRUIYLLVUMU-UHFFFAOYSA-N -1 3 296.305 3.184 20 0 CGADHM [S-]c1ccccc1C1=CC[C@@H](N2CCOCC2)CC1 ZINC001245427784 803734862 /nfs/dbraw/zinc/73/48/62/803734862.db2.gz YHLOVFHZTVDWPW-CQSZACIVSA-N -1 3 275.417 3.243 20 0 CGADHM Cc1cnc(Cl)c(Nc2ccc([O-])c(F)c2F)n1 ZINC001212002946 814964740 /nfs/dbraw/zinc/96/47/40/814964740.db2.gz KXWHJAPXUXSNTQ-UHFFFAOYSA-N -1 3 271.654 3.166 20 0 CGADHM Nc1ncc(-c2ccc3c(c2)[N-]C(=S)C3)cc1Cl ZINC001245569402 803822075 /nfs/dbraw/zinc/82/20/75/803822075.db2.gz URWQLAFXWZQVQY-UHFFFAOYSA-N -1 3 275.764 3.280 20 0 CGADHM Cc1ccc2[nH]c(-c3ccc(-c4nnn[n-]4)c(F)c3)cc2c1 ZINC001245570478 803823106 /nfs/dbraw/zinc/82/31/06/803823106.db2.gz BKDRPYHGLIVIGL-UHFFFAOYSA-N -1 3 293.305 3.463 20 0 CGADHM Cc1ccc2[nH]c(-c3ccc(-c4nn[n-]n4)c(F)c3)cc2c1 ZINC001245570478 803823116 /nfs/dbraw/zinc/82/31/16/803823116.db2.gz BKDRPYHGLIVIGL-UHFFFAOYSA-N -1 3 293.305 3.463 20 0 CGADHM Fc1ccc(-c2cccc3ccoc32)cc1-c1nnn[n-]1 ZINC001245617108 803858438 /nfs/dbraw/zinc/85/84/38/803858438.db2.gz OBUFLXIODDPIPL-UHFFFAOYSA-N -1 3 280.262 3.419 20 0 CGADHM Fc1ccc(-c2cccc3ccoc32)cc1-c1nn[n-]n1 ZINC001245617108 803858443 /nfs/dbraw/zinc/85/84/43/803858443.db2.gz OBUFLXIODDPIPL-UHFFFAOYSA-N -1 3 280.262 3.419 20 0 CGADHM C[C@H]1C(=O)Nc2cc(-c3c([O-])cccc3F)ccc21 ZINC001245652420 803881660 /nfs/dbraw/zinc/88/16/60/803881660.db2.gz ADRHQLIPJLROIC-MRVPVSSYSA-N -1 3 257.264 3.254 20 0 CGADHM O=c1ccc(-c2c([O-])cccc2F)cn1-c1ccccc1 ZINC001245653940 803883738 /nfs/dbraw/zinc/88/37/38/803883738.db2.gz HKVWXRCCIPUWFS-UHFFFAOYSA-N -1 3 281.286 3.349 20 0 CGADHM COc1ncnc2ccc(-c3c([O-])cccc3F)cc21 ZINC001245655153 803888834 /nfs/dbraw/zinc/88/88/34/803888834.db2.gz VWETWEJHUYUOKF-UHFFFAOYSA-N -1 3 270.263 3.150 20 0 CGADHM COC(=O)c1cc(-c2c([O-])cccc2F)c(OC)cc1C ZINC001245655582 803889029 /nfs/dbraw/zinc/88/90/29/803889029.db2.gz FNRMGKLIDTZWQJ-UHFFFAOYSA-N -1 3 290.290 3.302 20 0 CGADHM Nc1cnc2cc(-c3c([O-])cccc3F)ccc2c1 ZINC001245657101 803890307 /nfs/dbraw/zinc/89/03/07/803890307.db2.gz RBMLWSSBQDEWRX-UHFFFAOYSA-N -1 3 254.264 3.329 20 0 CGADHM [O-]c1cccc(F)c1-c1ccnc(OC(F)F)c1 ZINC001245656401 803891106 /nfs/dbraw/zinc/89/11/06/803891106.db2.gz QAGIWTBYBMVETJ-UHFFFAOYSA-N -1 3 255.195 3.195 20 0 CGADHM COc1ccc2nccc(-c3c([O-])cccc3F)c2n1 ZINC001245657087 803891351 /nfs/dbraw/zinc/89/13/51/803891351.db2.gz ZVILMLKVZRWQAU-UHFFFAOYSA-N -1 3 270.263 3.150 20 0 CGADHM CCc1cccc(C(=O)N2CC[C@@H](CC)[C@H]2C)c1[O-] ZINC001138452252 803942644 /nfs/dbraw/zinc/94/26/44/803942644.db2.gz NJNJFJOMZITBTE-VXGBXAGGSA-N -1 3 261.365 3.215 20 0 CGADHM OCc1ccc(F)c(-c2ccc3c(c2)[N-]C(=S)C3)c1F ZINC001245854756 803998914 /nfs/dbraw/zinc/99/89/14/803998914.db2.gz TXALPTKZELKOMT-UHFFFAOYSA-N -1 3 291.322 3.420 20 0 CGADHM CCCOc1ccc(F)cc1Nc1cc(=O)[n-]c(C)n1 ZINC001212195301 814992112 /nfs/dbraw/zinc/99/21/12/814992112.db2.gz JCNLFNAGZMOHQR-UHFFFAOYSA-N -1 3 277.299 3.162 20 0 CGADHM [O-]c1cc(F)cnc1Nc1ccnc(Cl)c1Cl ZINC001212234435 814993555 /nfs/dbraw/zinc/99/35/55/814993555.db2.gz BLISHTAGZGUBFF-UHFFFAOYSA-N -1 3 274.082 3.372 20 0 CGADHM C[C@@H]1CCCN(Cc2ccc([O-])c(F)c2F)CC1 ZINC001140887627 804541188 /nfs/dbraw/zinc/54/11/88/804541188.db2.gz COYLMTPBTPCGET-SNVBAGLBSA-N -1 3 255.308 3.292 20 0 CGADHM C[C@H]1CCC[C@H](C)N1Cc1ccc([O-])c(F)c1F ZINC001140889676 804543163 /nfs/dbraw/zinc/54/31/63/804543163.db2.gz JLEFLVIUJJSXNX-UWVGGRQHSA-N -1 3 255.308 3.433 20 0 CGADHM C[C@@H]1C[C@@H](C)CCN1Cc1ccc([O-])c(F)c1F ZINC001140894038 804545128 /nfs/dbraw/zinc/54/51/28/804545128.db2.gz OSVVOQLQVHTKCN-VHSXEESVSA-N -1 3 255.308 3.291 20 0 CGADHM [O-]c1cc(Cl)c(CN2CCCC[C@H]2CO)c(Cl)c1 ZINC001142101341 804695229 /nfs/dbraw/zinc/69/52/29/804695229.db2.gz CVHTXOLIZXKLLH-VIFPVBQESA-N -1 3 290.190 3.046 20 0 CGADHM CCN(Cc1c(Cl)cc([O-])cc1Cl)CC(C)(C)O ZINC001142118406 804696276 /nfs/dbraw/zinc/69/62/76/804696276.db2.gz KLGVNPDBPDVLPT-UHFFFAOYSA-N -1 3 292.206 3.292 20 0 CGADHM C[C@H]1CN(Cc2c(Cl)cc([O-])cc2Cl)CCC1=O ZINC001142106053 804696622 /nfs/dbraw/zinc/69/66/22/804696622.db2.gz XQWJJEWVANCUNC-QMMMGPOBSA-N -1 3 288.174 3.110 20 0 CGADHM O=C(Cc1ccc(Cl)s1)Nc1ccc(F)c([O-])c1 ZINC001142244747 804706807 /nfs/dbraw/zinc/70/68/07/804706807.db2.gz VQVSMDYNZBQIIB-UHFFFAOYSA-N -1 3 285.727 3.427 20 0 CGADHM CSc1ccc([O-])c(C(=O)Nc2ccc3nc[nH]c3c2)c1 ZINC001142428723 804721954 /nfs/dbraw/zinc/72/19/54/804721954.db2.gz ZGWUVBQBYUXONC-UHFFFAOYSA-N -1 3 299.355 3.243 20 0 CGADHM O=C([O-])c1cc(Cl)ccc1CN1CCC[C@@H](F)CC1 ZINC001142647147 804747882 /nfs/dbraw/zinc/74/78/82/804747882.db2.gz QCJJOMWMKHGXTP-GFCCVEGCSA-N -1 3 285.746 3.362 20 0 CGADHM CC(=O)c1cc(Nc2cc(F)cc(F)c2[O-])cnc1C ZINC001212484181 815037285 /nfs/dbraw/zinc/03/72/85/815037285.db2.gz PCLVFMHDMRHVCH-UHFFFAOYSA-N -1 3 278.258 3.320 20 0 CGADHM COCCN(c1ccccc1N)c1cc(F)cc(F)c1[O-] ZINC001212491501 815039905 /nfs/dbraw/zinc/03/99/05/815039905.db2.gz RQTQGAKTPSYPJB-UHFFFAOYSA-N -1 3 294.301 3.037 20 0 CGADHM Cc1cc(-c2noc(Cc3ccc([O-])cc3F)n2)cnc1C ZINC001248142752 804886080 /nfs/dbraw/zinc/88/60/80/804886080.db2.gz YCQLDECFURINDU-UHFFFAOYSA-N -1 3 299.305 3.184 20 0 CGADHM CC(C)(Br)C(=O)Nc1cc([O-])cc(Cl)c1 ZINC001144553989 805002956 /nfs/dbraw/zinc/00/29/56/805002956.db2.gz CQNKBGUVPYZHTR-UHFFFAOYSA-N -1 3 292.560 3.158 20 0 CGADHM [O-]c1cc(F)c(CN2CC[C@H](c3ccncc3)C2)c(F)c1 ZINC001144554737 805003343 /nfs/dbraw/zinc/00/33/43/805003343.db2.gz FPMFMFXZASSLAQ-LBPRGKRZSA-N -1 3 290.313 3.055 20 0 CGADHM C[C@H]1C[C@H](NC(=O)Cc2ccc([O-])c(F)c2)c2ccccc21 ZINC001144632962 805015574 /nfs/dbraw/zinc/01/55/74/805015574.db2.gz YHFPYDVGWLIBCK-ZBEGNZNMSA-N -1 3 299.345 3.439 20 0 CGADHM CCc1ccccc1C(=O)Nc1ccc(F)c([O-])c1 ZINC001148411317 805181334 /nfs/dbraw/zinc/18/13/34/805181334.db2.gz HCHSKNSLIDHXLQ-UHFFFAOYSA-N -1 3 259.280 3.346 20 0 CGADHM Cc1ccc(C(=O)NCc2cncc3ccccc32)c([O-])c1 ZINC001148508175 805193370 /nfs/dbraw/zinc/19/33/70/805193370.db2.gz YNLRACYAUYKONK-UHFFFAOYSA-N -1 3 292.338 3.179 20 0 CGADHM Cn1cc(Nc2ncc(Cl)cc2[O-])c2ccncc21 ZINC001249693689 805214150 /nfs/dbraw/zinc/21/41/50/805214150.db2.gz VDWQJBCHXYWRPP-UHFFFAOYSA-N -1 3 274.711 3.071 20 0 CGADHM O=C([N-]c1noc2cccnc12)c1cc2cccnc2s1 ZINC001149526354 805236479 /nfs/dbraw/zinc/23/64/79/805236479.db2.gz RZEKZMVSEOGSBP-UHFFFAOYSA-N -1 3 296.311 3.085 20 0 CGADHM Cc1cc(F)c(Nc2ncc(F)cc2[O-])cc1F ZINC001249795513 805251226 /nfs/dbraw/zinc/25/12/26/805251226.db2.gz NBXAPOHKHJCWIB-UHFFFAOYSA-N -1 3 254.211 3.257 20 0 CGADHM Cc1cc(C)c(C(=O)NCc2ccc([O-])c(F)c2)s1 ZINC001150366936 805256992 /nfs/dbraw/zinc/25/69/92/805256992.db2.gz LBDMIOGIAHPWKP-UHFFFAOYSA-N -1 3 279.336 3.140 20 0 CGADHM COc1nnc([N-]C(=O)c2cc3sccc3s2)s1 ZINC001150396783 805257116 /nfs/dbraw/zinc/25/71/16/805257116.db2.gz GWQQJEPAOOBYBI-UHFFFAOYSA-N -1 3 297.386 3.075 20 0 CGADHM O=C(CCCO)c1ccc(Nc2cccc([O-])c2F)cc1 ZINC001212553357 815065285 /nfs/dbraw/zinc/06/52/85/815065285.db2.gz OYZIFEGHHUIQTH-UHFFFAOYSA-N -1 3 289.306 3.230 20 0 CGADHM Cc1ccc(-c2noc(-c3ccc([O-])cn3)n2)cc1Cl ZINC001212558234 815068122 /nfs/dbraw/zinc/06/81/22/815068122.db2.gz XUUWMMOLVTVCOM-UHFFFAOYSA-N -1 3 287.706 3.466 20 0 CGADHM C[C@H](NC(=O)c1ccccc1[O-])c1cc2cnccc2o1 ZINC001152893855 805372794 /nfs/dbraw/zinc/37/27/94/805372794.db2.gz CCYHBOTXSCYBMO-JTQLQIEISA-N -1 3 282.299 3.024 20 0 CGADHM CCOc1cc(F)c(Nc2cnc[n-]c2=O)cc1Cl ZINC001250066872 805401145 /nfs/dbraw/zinc/40/11/45/805401145.db2.gz GOGSLKACLLSELK-UHFFFAOYSA-N -1 3 283.690 3.117 20 0 CGADHM Cc1nc(Nc2c(F)ccc(Cl)c2F)cc(=O)[n-]1 ZINC001250086128 805407175 /nfs/dbraw/zinc/40/71/75/805407175.db2.gz BSAISTRZDVZLQN-UHFFFAOYSA-N -1 3 271.654 3.166 20 0 CGADHM COC(=O)c1ccc(Cc2c(F)ccc([O-])c2F)cc1 ZINC001250126202 805429986 /nfs/dbraw/zinc/42/99/86/805429986.db2.gz WNIDQOFWZPCKFS-UHFFFAOYSA-N -1 3 278.254 3.048 20 0 CGADHM CSc1cnc(F)c(Nc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC001250136737 805437548 /nfs/dbraw/zinc/43/75/48/805437548.db2.gz GZMYAQFSFPNJDU-UHFFFAOYSA-N -1 3 292.339 3.059 20 0 CGADHM O=C(C[C@@H]1CCc2ccccc2C1)[N-]Oc1ccccc1F ZINC001154216023 805440976 /nfs/dbraw/zinc/44/09/76/805440976.db2.gz SRHDEPZIMTZBEO-CYBMUJFWSA-N -1 3 299.345 3.431 20 0 CGADHM [O-]c1cc(Nc2ccc(Cl)nn2)ccc1Cl ZINC001212588001 815077184 /nfs/dbraw/zinc/07/71/84/815077184.db2.gz DUKZRHTXGNKHKJ-UHFFFAOYSA-N -1 3 256.092 3.233 20 0 CGADHM Nc1cc(Cl)ncc1Nc1ccc(Cl)c([O-])c1 ZINC001212588373 815077415 /nfs/dbraw/zinc/07/74/15/815077415.db2.gz MXKKLQFYHCABCA-UHFFFAOYSA-N -1 3 270.119 3.420 20 0 CGADHM Cc1ccc2ncc([O-])c(C(=O)N(C)C[C@H]3CC3(C)C)c2c1 ZINC001154530400 805461569 /nfs/dbraw/zinc/46/15/69/805461569.db2.gz HSJVFXWQKPFZDW-GFCCVEGCSA-N -1 3 298.386 3.367 20 0 CGADHM Cc1cc(C[C@@H](C)Nc2ccc(Cl)c([O-])c2)on1 ZINC001212588712 815078448 /nfs/dbraw/zinc/07/84/48/815078448.db2.gz ZLKMHFSUDBOKHZ-MRVPVSSYSA-N -1 3 266.728 3.385 20 0 CGADHM COC(=O)c1ncsc1Nc1ccc(Cl)c([O-])c1 ZINC001212590501 815078888 /nfs/dbraw/zinc/07/88/88/815078888.db2.gz PFUMVLIOMGYMNC-UHFFFAOYSA-N -1 3 284.724 3.032 20 0 CGADHM CC(=O)c1cccc(Nc2ccc(Cl)c([O-])c2)n1 ZINC001212591589 815079586 /nfs/dbraw/zinc/07/95/86/815079586.db2.gz UPFZQGLYIQETFT-UHFFFAOYSA-N -1 3 262.696 3.387 20 0 CGADHM [O-]c1cc(Nc2ccnn2C2CCOCC2)ccc1Cl ZINC001212590704 815079685 /nfs/dbraw/zinc/07/96/85/815079685.db2.gz ZENHQHCPZWIMQD-UHFFFAOYSA-N -1 3 293.754 3.337 20 0 CGADHM O=C(C[C@H]1CCc2ccccc21)[N-]Oc1ccc(F)cc1 ZINC001165799848 807019634 /nfs/dbraw/zinc/01/96/34/807019634.db2.gz CHCRUWUTMKBDHH-CYBMUJFWSA-N -1 3 285.318 3.356 20 0 CGADHM [O-]c1ccccc1-c1nnc(Cc2cccc(F)c2)o1 ZINC001258486274 807477101 /nfs/dbraw/zinc/47/71/01/807477101.db2.gz YYLJVJBHOLREHO-UHFFFAOYSA-N -1 3 270.263 3.172 20 0 CGADHM CC[C@H](C)C[C@@H](C)Nc1ccc(C)c(-c2nnn[n-]2)c1 ZINC001168695777 807485607 /nfs/dbraw/zinc/48/56/07/807485607.db2.gz VWAPRSQLCFDKJE-CMPLNLGQSA-N -1 3 273.384 3.412 20 0 CGADHM CC[C@H](C)C[C@@H](C)Nc1ccc(C)c(-c2nn[n-]n2)c1 ZINC001168695777 807485610 /nfs/dbraw/zinc/48/56/10/807485610.db2.gz VWAPRSQLCFDKJE-CMPLNLGQSA-N -1 3 273.384 3.412 20 0 CGADHM Cc1ccc(NCCC2=CCCCC2)cc1-c1nnn[n-]1 ZINC001168775406 807510807 /nfs/dbraw/zinc/51/08/07/807510807.db2.gz PGQKFMSGZBAXFV-UHFFFAOYSA-N -1 3 283.379 3.478 20 0 CGADHM Cc1ccc(NCCC2=CCCCC2)cc1-c1nn[n-]n1 ZINC001168775406 807510818 /nfs/dbraw/zinc/51/08/18/807510818.db2.gz PGQKFMSGZBAXFV-UHFFFAOYSA-N -1 3 283.379 3.478 20 0 CGADHM CCc1ccc(OC)c([N-]S(=O)(=O)C2CCCCC2)c1 ZINC001259815663 807689015 /nfs/dbraw/zinc/68/90/15/807689015.db2.gz NMOQPICCUWLLPK-UHFFFAOYSA-N -1 3 297.420 3.332 20 0 CGADHM [O-]c1cccnc1CNc1cccnc1-c1ccccc1 ZINC001169731558 807699729 /nfs/dbraw/zinc/69/97/29/807699729.db2.gz AIYRYLYSZQCMRE-UHFFFAOYSA-N -1 3 277.327 3.461 20 0 CGADHM CCOc1ccc(NCc2ncccc2[O-])cc1C ZINC001169732776 807701678 /nfs/dbraw/zinc/70/16/78/807701678.db2.gz KWBJKQCEAQWLHY-UHFFFAOYSA-N -1 3 258.321 3.106 20 0 CGADHM Cc1cc(F)ncc1Nc1ncc(Br)cc1[O-] ZINC001212812879 815144606 /nfs/dbraw/zinc/14/46/06/815144606.db2.gz SLHZTOBNQXHDQI-UHFFFAOYSA-N -1 3 298.115 3.136 20 0 CGADHM CC(=O)c1ccc(C(=O)Nc2cc(C)cc(C)c2O)cc1[O-] ZINC001170662842 807871036 /nfs/dbraw/zinc/87/10/36/807871036.db2.gz MULSQAQPLVLJBQ-UHFFFAOYSA-N -1 3 299.326 3.170 20 0 CGADHM CCn1c2ccccc2nc1[C@H](C)Nc1nc(C)cc(=O)[n-]1 ZINC001262691287 807897134 /nfs/dbraw/zinc/89/71/34/807897134.db2.gz ZXYFHMXSXTYLLJ-NSHDSACASA-N -1 3 297.362 3.033 20 0 CGADHM CCN(CC)c1ccc(-n2[n-]c(=O)c3ccc(N)cc32)cc1 ZINC001212970773 815192082 /nfs/dbraw/zinc/19/20/82/815192082.db2.gz IKJVJLFIHODIRP-UHFFFAOYSA-N -1 3 296.374 3.160 20 0 CGADHM COc1ccc(Nc2cccc([O-])c2Cl)cn1 ZINC001173959781 808786799 /nfs/dbraw/zinc/78/67/99/808786799.db2.gz SRIOQTJZWQULEO-UHFFFAOYSA-N -1 3 250.685 3.193 20 0 CGADHM Nc1ncc2cc(Nc3ccc([O-])c(Cl)c3)ccc2n1 ZINC001213112369 815237281 /nfs/dbraw/zinc/23/72/81/815237281.db2.gz OIBXMFZYAHUOLU-UHFFFAOYSA-N -1 3 286.722 3.315 20 0 CGADHM CC(=O)Nc1ccccc1Nc1cc(F)c([O-])c(F)c1 ZINC001173996350 808810142 /nfs/dbraw/zinc/81/01/42/808810142.db2.gz UGYICGNBPXKRRJ-UHFFFAOYSA-N -1 3 278.258 3.372 20 0 CGADHM [O-]c1cc(F)cnc1Nc1cccc2cnccc21 ZINC001174136534 808885235 /nfs/dbraw/zinc/88/52/35/808885235.db2.gz LCRZMYIGIWAEJQ-UHFFFAOYSA-N -1 3 255.252 3.218 20 0 CGADHM [O-]c1cc(Nc2ccc3c(c2)NCC3)c(F)cc1F ZINC001213153904 815246327 /nfs/dbraw/zinc/24/63/27/815246327.db2.gz SPOGQMIEGGKGBR-UHFFFAOYSA-N -1 3 262.259 3.382 20 0 CGADHM [O-]c1c(Cl)cccc1Nc1ccc2nccn2c1 ZINC001174279107 808928183 /nfs/dbraw/zinc/92/81/83/808928183.db2.gz NNMKGSAWEMADTG-UHFFFAOYSA-N -1 3 259.696 3.437 20 0 CGADHM O=c1cc(Nc2ccc(C(F)(F)F)nc2)nc(C2CC2)[n-]1 ZINC001174311131 808948503 /nfs/dbraw/zinc/94/85/03/808948503.db2.gz PQPFAKBUUIEXGC-UHFFFAOYSA-N -1 3 296.252 3.217 20 0 CGADHM O=c1ccn(-c2ccc(Nc3cccc4n[nH]cc43)cc2)[n-]1 ZINC001174346683 808968809 /nfs/dbraw/zinc/96/88/09/808968809.db2.gz DPYSOQPRSAEAHO-UHFFFAOYSA-N -1 3 291.314 3.198 20 0 CGADHM Cc1nnc([N-]c2ccc3c(c2)ncn3C(C)C)o1 ZINC001174380328 808984088 /nfs/dbraw/zinc/98/40/88/808984088.db2.gz AOLBMJIWKUJVLP-UHFFFAOYSA-N -1 3 257.297 3.052 20 0 CGADHM COc1ccc(F)c(F)c1Nc1cc(=O)[n-]c(C2CC2)n1 ZINC001174423269 809013991 /nfs/dbraw/zinc/01/39/91/809013991.db2.gz ODYKTPIXILYYDQ-UHFFFAOYSA-N -1 3 293.273 3.090 20 0 CGADHM CCCCCC[C@H](CC)C(=O)Nc1nnc(OCC)[n-]1 ZINC001174745987 809150872 /nfs/dbraw/zinc/15/08/72/809150872.db2.gz XQKSCWOOOXHJBK-NSHDSACASA-N -1 3 282.388 3.139 20 0 CGADHM CCCCCC[C@H](CC)C(=O)Nc1n[n-]c(OCC)n1 ZINC001174745987 809150878 /nfs/dbraw/zinc/15/08/78/809150878.db2.gz XQKSCWOOOXHJBK-NSHDSACASA-N -1 3 282.388 3.139 20 0 CGADHM CCCCCC[C@H](CC)C(=O)Nc1nc(OCC)n[n-]1 ZINC001174745987 809150883 /nfs/dbraw/zinc/15/08/83/809150883.db2.gz XQKSCWOOOXHJBK-NSHDSACASA-N -1 3 282.388 3.139 20 0 CGADHM O=C(Nc1cccc2nccnc21)c1cc([O-])ccc1Cl ZINC001174771955 809160465 /nfs/dbraw/zinc/16/04/65/809160465.db2.gz HUOFEURDTRWETR-UHFFFAOYSA-N -1 3 299.717 3.241 20 0 CGADHM Cn1nc(C(C)(C)C)cc1Nc1cc(F)c([O-])c(F)c1 ZINC001213373382 815271810 /nfs/dbraw/zinc/27/18/10/815271810.db2.gz FGWRBVMGTNLCHH-UHFFFAOYSA-N -1 3 281.306 3.445 20 0 CGADHM O=c1cc(Cl)[nH]cc1Nc1cc(F)c([O-])c(F)c1 ZINC001213375156 815272025 /nfs/dbraw/zinc/27/20/25/815272025.db2.gz RSNGZQIRMFCLHJ-UHFFFAOYSA-N -1 3 272.638 3.168 20 0 CGADHM COc1ccc(Cl)c(Nc2cc(F)c([O-])c(F)c2)n1 ZINC001213377193 815273060 /nfs/dbraw/zinc/27/30/60/815273060.db2.gz BVHVJGKAHKWKLT-UHFFFAOYSA-N -1 3 286.665 3.471 20 0 CGADHM CCc1nnc([N-]c2cc(F)c(F)cc2F)s1 ZINC001175086012 809263964 /nfs/dbraw/zinc/26/39/64/809263964.db2.gz NWNBJJKSMSUZIS-UHFFFAOYSA-N -1 3 259.256 3.261 20 0 CGADHM [O-]c1cc(F)c(Nc2ccccc2OC2COC2)c(F)c1 ZINC001175099418 809269960 /nfs/dbraw/zinc/26/99/60/809269960.db2.gz FVOBBCCQYVJGBR-UHFFFAOYSA-N -1 3 293.269 3.192 20 0 CGADHM COC(=O)c1ccccc1Nc1c(F)cc([O-])cc1F ZINC001175097678 809270028 /nfs/dbraw/zinc/27/00/28/809270028.db2.gz TVGORIIZWIGODN-UHFFFAOYSA-N -1 3 279.242 3.201 20 0 CGADHM O=c1cc[nH]c(Cl)c1Nc1c(F)cc([O-])cc1F ZINC001175099269 809270159 /nfs/dbraw/zinc/27/01/59/809270159.db2.gz ZSSPSKQUGGEYIQ-UHFFFAOYSA-N -1 3 272.638 3.168 20 0 CGADHM CC(=O)N(C)c1ccc(Nc2c(F)cc([O-])cc2F)cc1 ZINC001175099638 809270904 /nfs/dbraw/zinc/27/09/04/809270904.db2.gz AYBPYMNPTVVTHS-UHFFFAOYSA-N -1 3 292.285 3.397 20 0 CGADHM CCOc1cc(Nc2c(F)ccc([O-])c2F)ccn1 ZINC001175263188 809329024 /nfs/dbraw/zinc/32/90/24/809329024.db2.gz PYQNXYBCIVIWAI-UHFFFAOYSA-N -1 3 266.247 3.208 20 0 CGADHM Nc1ccc2ccn(-c3c(F)ccc([O-])c3F)c2c1 ZINC001175264759 809329625 /nfs/dbraw/zinc/32/96/25/809329625.db2.gz GICAOGNPAVHNHX-UHFFFAOYSA-N -1 3 260.243 3.197 20 0 CGADHM Nc1cc(Cl)cnc1Nc1c(F)ccc([O-])c1F ZINC001175264561 809330093 /nfs/dbraw/zinc/33/00/93/809330093.db2.gz XFIPAGQJEXSSQO-UHFFFAOYSA-N -1 3 271.654 3.045 20 0 CGADHM [O-]c1ccc(F)c(Nc2ccc3cncnc3c2)c1F ZINC001175267602 809331609 /nfs/dbraw/zinc/33/16/09/809331609.db2.gz CFJLDZIEKPYGHK-UHFFFAOYSA-N -1 3 273.242 3.357 20 0 CGADHM Cc1ccc(N)c(N(C)c2c(F)ccc([O-])c2F)c1 ZINC001175268857 809332440 /nfs/dbraw/zinc/33/24/40/809332440.db2.gz ZOGAYFCPPRDWNB-UHFFFAOYSA-N -1 3 264.275 3.329 20 0 CGADHM CC(=O)Oc1ccc(Nc2c(F)ccc([O-])c2F)cc1 ZINC001175269167 809333997 /nfs/dbraw/zinc/33/39/97/809333997.db2.gz FTNIARTVCLAALO-UHFFFAOYSA-N -1 3 279.242 3.339 20 0 CGADHM C[C@H](O)c1ccccc1Nc1c(F)ccc([O-])c1F ZINC001175269778 809334092 /nfs/dbraw/zinc/33/40/92/809334092.db2.gz KZIHNJMFXCFQMH-QMMMGPOBSA-N -1 3 265.259 3.467 20 0 CGADHM Nc1cc2ccn(-c3c(F)ccc([O-])c3F)c2cc1F ZINC001175270891 809334209 /nfs/dbraw/zinc/33/42/09/809334209.db2.gz NCVWRQNCRZDUGD-UHFFFAOYSA-N -1 3 278.233 3.336 20 0 CGADHM Nc1ccccc1-c1ccn(-c2c(F)ccc([O-])c2F)n1 ZINC001175269155 809334384 /nfs/dbraw/zinc/33/43/84/809334384.db2.gz FEWQVWPEQXMMFN-UHFFFAOYSA-N -1 3 287.269 3.105 20 0 CGADHM C[S@@](=O)c1ccccc1Nc1c(F)cc([O-])cc1F ZINC001175318506 809352826 /nfs/dbraw/zinc/35/28/26/809352826.db2.gz NOYWWSOHBPOVBY-LJQANCHMSA-N -1 3 283.299 3.151 20 0 CGADHM [O-]c1cc(Nc2cnc3cccnc3c2)c(F)cc1F ZINC001175358471 809377808 /nfs/dbraw/zinc/37/78/08/809377808.db2.gz HYNJUCNWCDIRFW-UHFFFAOYSA-N -1 3 273.242 3.357 20 0 CGADHM COc1ncc(Nc2nc3c(cccc3[O-])s2)s1 ZINC001175387312 809387223 /nfs/dbraw/zinc/38/72/23/809387223.db2.gz QGYJBHBSGYESEC-UHFFFAOYSA-N -1 3 279.346 3.211 20 0 CGADHM [O-]c1cccc(Nc2cnc3n[nH]cc3c2)c1Cl ZINC001175404380 809394626 /nfs/dbraw/zinc/39/46/26/809394626.db2.gz ACMVMJLMCQTRFM-UHFFFAOYSA-N -1 3 260.684 3.061 20 0 CGADHM c1cc2ccc(Nc3ccc(-c4nn[n-]n4)cc3)cc2cn1 ZINC001175429386 809401586 /nfs/dbraw/zinc/40/15/86/809401586.db2.gz JMJJIYJKVMVZKA-UHFFFAOYSA-N -1 3 288.314 3.159 20 0 CGADHM c1nc2ccc(Nc3ccc(-c4nn[n-]n4)cc3)cc2s1 ZINC001175428824 809401715 /nfs/dbraw/zinc/40/17/15/809401715.db2.gz MNHOFZXYQOYTMI-UHFFFAOYSA-N -1 3 294.343 3.220 20 0 CGADHM CC[C@](C)(NC(=O)c1ccc(OC)cc1[O-])c1ccccc1 ZINC001293536084 809451230 /nfs/dbraw/zinc/45/12/30/809451230.db2.gz OGZVIXPHNHFXBQ-SFHVURJKSA-N -1 3 299.370 3.456 20 0 CGADHM COc1cccc([O-])c1C(=O)N[C@@H]1CCC(C)(C)C[C@H]1C ZINC001294397667 809468401 /nfs/dbraw/zinc/46/84/01/809468401.db2.gz VWENAGZSIJHMEZ-VXGBXAGGSA-N -1 3 291.391 3.345 20 0 CGADHM CCc1ccc(C(=O)N[C@@H]2COc3ccc(C)cc32)c([O-])c1 ZINC001294650793 809474064 /nfs/dbraw/zinc/47/40/64/809474064.db2.gz UVQTYUGDXSQTDJ-OAHLLOKOSA-N -1 3 297.354 3.127 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001295350903 809485851 /nfs/dbraw/zinc/48/58/51/809485851.db2.gz MDVQLYBOXWCKEM-ILPMLJPZSA-N -1 3 277.751 3.276 20 0 CGADHM CCc1nc(C)c(C(=O)Nc2c([O-])cccc2Cl)o1 ZINC001298551034 809533917 /nfs/dbraw/zinc/53/39/17/809533917.db2.gz SEOUTNZJWFKVIE-UHFFFAOYSA-N -1 3 280.711 3.157 20 0 CGADHM [O-]c1cc(Cl)cnc1Nc1cnn(-c2ccccc2)c1 ZINC001175792072 809544665 /nfs/dbraw/zinc/54/46/65/809544665.db2.gz FHMWKMLTRYSMCT-UHFFFAOYSA-N -1 3 286.722 3.370 20 0 CGADHM COc1ccc(C(=O)N[C@H]2CCC[C@@H]2C(C)(C)C)c([O-])c1 ZINC001299247704 809547323 /nfs/dbraw/zinc/54/73/23/809547323.db2.gz DWOXOATXNAMEOB-KBPBESRZSA-N -1 3 291.391 3.345 20 0 CGADHM COc1nonc1[N-]c1ccc2[nH]c3ccccc3c2c1 ZINC001175853246 809558627 /nfs/dbraw/zinc/55/86/27/809558627.db2.gz ITICTCQDVLXOHF-UHFFFAOYSA-N -1 3 280.287 3.456 20 0 CGADHM Cc1ncc(Nc2ccc(-c3cccnc3)cc2)c(=O)[n-]1 ZINC001175886600 809563863 /nfs/dbraw/zinc/56/38/63/809563863.db2.gz KKLBKXDTVVAFQQ-UHFFFAOYSA-N -1 3 278.315 3.296 20 0 CGADHM COc1cccc2[nH]c(Nc3cc(=O)[n-]c(C4CC4)n3)cc21 ZINC001176061783 809613415 /nfs/dbraw/zinc/61/34/15/809613415.db2.gz LWCYCEHOHFSUCH-UHFFFAOYSA-N -1 3 296.330 3.293 20 0 CGADHM COc1ccc(O)cc1Nc1ccc([O-])c(F)c1F ZINC001176577821 809721507 /nfs/dbraw/zinc/72/15/07/809721507.db2.gz KHEWBLJANSWNPR-UHFFFAOYSA-N -1 3 267.231 3.128 20 0 CGADHM COc1cc(C)ccc1-c1noc(-c2nc(C)ccc2[O-])n1 ZINC001213699769 815323089 /nfs/dbraw/zinc/32/30/89/815323089.db2.gz WAYAIZUOANXFIU-UHFFFAOYSA-N -1 3 297.314 3.130 20 0 CGADHM Cc1ccc([O-])c(-c2nc(-c3cccc(Cl)c3)no2)n1 ZINC001213699589 815323241 /nfs/dbraw/zinc/32/32/41/815323241.db2.gz QXDLEYNXBHDOQK-UHFFFAOYSA-N -1 3 287.706 3.466 20 0 CGADHM O=C(NCCC1(c2ccccc2)CC1)c1ccccc1[O-] ZINC001178175124 809849103 /nfs/dbraw/zinc/84/91/03/809849103.db2.gz OBQXIUFLUUPHDI-UHFFFAOYSA-N -1 3 281.355 3.244 20 0 CGADHM O=C(/C=C/C(F)(F)F)Nc1cc([O-])cc(Cl)c1 ZINC001179927649 809958555 /nfs/dbraw/zinc/95/85/55/809958555.db2.gz IHGMQVVIULROMM-OWOJBTEDSA-N -1 3 265.618 3.103 20 0 CGADHM CC[C@H](C(=O)Nc1ccncc1[O-])C1CCC(C)CC1 ZINC001182627735 810117738 /nfs/dbraw/zinc/11/77/38/810117738.db2.gz SEGQZPQZVPILFG-BPCQOVAHSA-N -1 3 276.380 3.000 20 0 CGADHM [O-]c1ccc(CNc2cccc3c2OCC3)cc1F ZINC001182901364 810130031 /nfs/dbraw/zinc/13/00/31/810130031.db2.gz CINQIAMLWVYYNR-UHFFFAOYSA-N -1 3 259.280 3.078 20 0 CGADHM O=c1cc(Nc2cccc3[nH]c(=O)ccc23)nc(C2CC2)[n-]1 ZINC001213968056 815352666 /nfs/dbraw/zinc/35/26/66/815352666.db2.gz WWFZGCNRQGGRTF-UHFFFAOYSA-N -1 3 294.314 3.057 20 0 CGADHM O=C(NCCc1ccc(F)cc1)Nc1ccc([O-])c(F)c1 ZINC001186275501 810324801 /nfs/dbraw/zinc/32/48/01/810324801.db2.gz KFQWBQYOISZBOZ-UHFFFAOYSA-N -1 3 292.285 3.035 20 0 CGADHM c1[n-][nH]c2ncnc(=Nc3cccc(-c4ccccc4)c3)c1-2 ZINC001186381010 810334145 /nfs/dbraw/zinc/33/41/45/810334145.db2.gz PRBSKYJCYFZHTA-UHFFFAOYSA-N -1 3 287.326 3.137 20 0 CGADHM CCc1cccc(-c2noc(-c3ccc(F)c(=O)[n-]3)n2)c1 ZINC001214085393 815366377 /nfs/dbraw/zinc/36/63/77/815366377.db2.gz NCKYSEVPEUQZKF-UHFFFAOYSA-N -1 3 285.278 3.206 20 0 CGADHM O=C(Nc1cc(F)cc(F)c1)Nc1cc(F)ccc1[O-] ZINC001187570315 810405712 /nfs/dbraw/zinc/40/57/12/810405712.db2.gz OFPCCKOVFDPBHW-UHFFFAOYSA-N -1 3 282.221 3.454 20 0 CGADHM CC(C)c1nsc(NCCc2c(F)cc([O-])cc2F)n1 ZINC001187708154 810418967 /nfs/dbraw/zinc/41/89/67/810418967.db2.gz CIGQKTHLHVEXBQ-UHFFFAOYSA-N -1 3 299.346 3.300 20 0 CGADHM COc1ccc(Cl)cc1NC(=O)Nc1cncc([O-])c1 ZINC001187903950 810431807 /nfs/dbraw/zinc/43/18/07/810431807.db2.gz HEVRPPNNTFBXNA-UHFFFAOYSA-N -1 3 293.710 3.093 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CC[C@H](C)C(F)(F)CC1 ZINC001188640259 810496791 /nfs/dbraw/zinc/49/67/91/810496791.db2.gz LABNPASFXXLFRB-NSHDSACASA-N -1 3 283.318 3.208 20 0 CGADHM Cc1cccc([O-])c1C(=O)Nc1ccc2oncc2c1 ZINC001188648091 810498814 /nfs/dbraw/zinc/49/88/14/810498814.db2.gz BUUIQOPNADJVJO-UHFFFAOYSA-N -1 3 268.272 3.094 20 0 CGADHM Cc1cccc([O-])c1C(=O)Nc1cccc(Cl)c1CO ZINC001188654425 810500080 /nfs/dbraw/zinc/50/00/80/810500080.db2.gz AFOJMHCJXTZAPP-UHFFFAOYSA-N -1 3 291.734 3.099 20 0 CGADHM Cc1cccc([O-])c1C(=O)NCc1cc2ccccc2n1C ZINC001188654825 810500879 /nfs/dbraw/zinc/50/08/79/810500879.db2.gz HIGIXROQONTDEB-UHFFFAOYSA-N -1 3 294.354 3.122 20 0 CGADHM Cc1ccc(Nc2cc([O-])c(F)cc2F)c(N)c1 ZINC001214186902 815379454 /nfs/dbraw/zinc/37/94/54/815379454.db2.gz KMMVFESSNMETJF-UHFFFAOYSA-N -1 3 250.248 3.305 20 0 CGADHM Cc1c(F)ccc(C(=O)Nc2cncc([O-])c2)c1Cl ZINC001191353926 810705652 /nfs/dbraw/zinc/70/56/52/810705652.db2.gz KBBCDOZZZQCIPS-UHFFFAOYSA-N -1 3 280.686 3.140 20 0 CGADHM C[C@H]1CC[C@H](NC(=O)Nc2ncc([O-])cc2Cl)CC1 ZINC001191800175 810744742 /nfs/dbraw/zinc/74/47/42/810744742.db2.gz ZBFULMOCZWINFY-KYZUINATSA-N -1 3 283.759 3.141 20 0 CGADHM Cc1ccc(Nc2cnc[n-]c2=O)cc1OC(C)C ZINC001214332063 815396845 /nfs/dbraw/zinc/39/68/45/815396845.db2.gz FXTTUIUOBLUUPW-UHFFFAOYSA-N -1 3 259.309 3.021 20 0 CGADHM CC(C)(C)c1ccc(C(=O)Nc2ncccc2O)c([O-])c1 ZINC001192314215 810786255 /nfs/dbraw/zinc/78/62/55/810786255.db2.gz KMOJAJZBKGDBNH-UHFFFAOYSA-N -1 3 286.331 3.043 20 0 CGADHM Cc1cc([O-])c(NC(=O)OC(C)C)cc1Br ZINC001193492983 810896704 /nfs/dbraw/zinc/89/67/04/810896704.db2.gz WPECYRUENXLTDK-UHFFFAOYSA-N -1 3 288.141 3.420 20 0 CGADHM Cc1ccc(F)cc1NC(=O)c1c(C)cc(O)cc1[O-] ZINC001193912563 810977551 /nfs/dbraw/zinc/97/75/51/810977551.db2.gz ZWVMXNDIAUICQV-UHFFFAOYSA-N -1 3 275.279 3.106 20 0 CGADHM C=Cc1ccc(NC(=O)c2c(C)cc(O)cc2[O-])cc1 ZINC001193935779 810981435 /nfs/dbraw/zinc/98/14/35/810981435.db2.gz DIVWTLYFVVVLKP-UHFFFAOYSA-N -1 3 269.300 3.302 20 0 CGADHM COc1ncccc1Nc1c(Cl)ccc([O-])c1F ZINC001214554042 815422147 /nfs/dbraw/zinc/42/21/47/815422147.db2.gz IAGQQINJQSDIFX-UHFFFAOYSA-N -1 3 268.675 3.332 20 0 CGADHM NC(=O)c1ccsc1Nc1c(Cl)ccc([O-])c1F ZINC001214554007 815422571 /nfs/dbraw/zinc/42/25/71/815422571.db2.gz GRFGKBVASGHYNB-UHFFFAOYSA-N -1 3 286.715 3.089 20 0 CGADHM Cc1cc(O)cnc1Nc1c(Cl)ccc([O-])c1F ZINC001214554059 815423299 /nfs/dbraw/zinc/42/32/99/815423299.db2.gz JAJNEFJTUBPHCG-UHFFFAOYSA-N -1 3 268.675 3.337 20 0 CGADHM CCOc1cc(Nc2c(Cl)ccc([O-])c2F)no1 ZINC001214557991 815424173 /nfs/dbraw/zinc/42/41/73/815424173.db2.gz NLDCFPXIDXKYFZ-UHFFFAOYSA-N -1 3 272.663 3.315 20 0 CGADHM NC(=O)c1ccc(Nc2c(Cl)ccc([O-])c2F)cc1 ZINC001214559355 815424324 /nfs/dbraw/zinc/42/43/24/815424324.db2.gz NFFJHWPFIFVLPE-UHFFFAOYSA-N -1 3 280.686 3.027 20 0 CGADHM Cc1cc(CO)ccc1Nc1cc([O-])c(F)cc1F ZINC001214666824 815440504 /nfs/dbraw/zinc/44/05/04/815440504.db2.gz CWQAROWZYSOJMN-UHFFFAOYSA-N -1 3 265.259 3.215 20 0 CGADHM CCOc1ncc([N-]c2nnc(C(C)C)o2)cc1C ZINC001214926250 815460532 /nfs/dbraw/zinc/46/05/32/815460532.db2.gz BGKLMHIETDJQBC-UHFFFAOYSA-N -1 3 262.313 3.039 20 0 CGADHM COc1c(F)cccc1-c1noc(-c2ccccc2[O-])n1 ZINC001215141813 815487736 /nfs/dbraw/zinc/48/77/36/815487736.db2.gz AITJTDLDDDHTIY-UHFFFAOYSA-N -1 3 286.262 3.257 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])N[C@@H]1C[C@H]1c1ccccc1 ZINC001201934185 811976830 /nfs/dbraw/zinc/97/68/30/811976830.db2.gz QSLRGXPEYLGLPY-QWHCGFSZSA-N -1 3 286.306 3.209 20 0 CGADHM O=C(Nc1ccc(F)cc1F)Nc1cc(F)ccc1[O-] ZINC001202020578 811998713 /nfs/dbraw/zinc/99/87/13/811998713.db2.gz TZJQEFQKTRFTRY-UHFFFAOYSA-N -1 3 282.221 3.454 20 0 CGADHM O=C([N-]c1cc(C(F)(F)F)no1)Nc1cccc(F)c1 ZINC001202222016 812043583 /nfs/dbraw/zinc/04/35/83/812043583.db2.gz MEWXTNLTFOWGCO-UHFFFAOYSA-N -1 3 289.188 3.477 20 0 CGADHM COc1ccc(C)cc1NC(=O)Nc1cc(F)ccc1[O-] ZINC001202869617 812191041 /nfs/dbraw/zinc/19/10/41/812191041.db2.gz LYMAMUNHLWXPKS-UHFFFAOYSA-N -1 3 290.294 3.492 20 0 CGADHM CCCOc1ccc(Nc2cc(=O)[n-]c(C)n2)c(F)c1 ZINC001215487013 815524023 /nfs/dbraw/zinc/52/40/23/815524023.db2.gz WYUIJKDOLDCNAX-UHFFFAOYSA-N -1 3 277.299 3.162 20 0 CGADHM COc1ncc(Nc2nc3c(cccc3[O-])s2)cc1F ZINC001203398209 812342401 /nfs/dbraw/zinc/34/24/01/812342401.db2.gz XHBZLZUHBNPGIP-UHFFFAOYSA-N -1 3 291.307 3.288 20 0 CGADHM Cc1ccc(F)c(Nc2cc(F)c([O-])cc2F)n1 ZINC001215572823 815538364 /nfs/dbraw/zinc/53/83/64/815538364.db2.gz XVDQHQNNENFRCM-UHFFFAOYSA-N -1 3 254.211 3.257 20 0 CGADHM COC(=O)c1ccc(Nc2cc(F)c([O-])cc2F)s1 ZINC001215569930 815536723 /nfs/dbraw/zinc/53/67/23/815536723.db2.gz JFKLAZCYNNGONF-UHFFFAOYSA-N -1 3 285.271 3.262 20 0 CGADHM Cc1nc(Nc2cc(F)c([O-])cc2F)sc1C ZINC001215570568 815536768 /nfs/dbraw/zinc/53/67/68/815536768.db2.gz SVPINBCIEKHSNU-UHFFFAOYSA-N -1 3 256.277 3.487 20 0 CGADHM O=c1cc[nH]c(Cl)c1Nc1cc(F)c([O-])cc1F ZINC001215572677 815537205 /nfs/dbraw/zinc/53/72/05/815537205.db2.gz PPPGIGNGJKOGDH-UHFFFAOYSA-N -1 3 272.638 3.168 20 0 CGADHM COc1cc(Cl)nc(Nc2cc(F)c([O-])cc2F)c1 ZINC001215572351 815537237 /nfs/dbraw/zinc/53/72/37/815537237.db2.gz DBOJDHXKUBXFNF-UHFFFAOYSA-N -1 3 286.665 3.471 20 0 CGADHM Nc1cn(-c2cc(F)c([O-])cc2F)c2nccc-2c1Cl ZINC001215572223 815537395 /nfs/dbraw/zinc/53/73/95/815537395.db2.gz RABHDFBUVGNAGS-UHFFFAOYSA-N -1 3 295.676 3.197 20 0 CGADHM CC1(C)COc2cc(Nc3cc(F)c([O-])cc3F)nn2C1 ZINC001215572276 815537656 /nfs/dbraw/zinc/53/76/56/815537656.db2.gz BRJFDFVWCYDMNW-UHFFFAOYSA-N -1 3 295.289 3.029 20 0 CGADHM Cn1nc2c(c1Nc1cc(F)c([O-])cc1F)CCCC2 ZINC001215572296 815537732 /nfs/dbraw/zinc/53/77/32/815537732.db2.gz SLOZYZMTAJRFGT-UHFFFAOYSA-N -1 3 279.290 3.026 20 0 CGADHM Cc1nn(C)c2cc(NCc3ccc([O-])c(F)c3)ccc12 ZINC001205924134 813135782 /nfs/dbraw/zinc/13/57/82/813135782.db2.gz IAEYKKKNRLMFDL-UHFFFAOYSA-N -1 3 285.322 3.339 20 0 CGADHM CSc1nc2c(c(-c3ccc([O-])cc3F)n1)CCC2 ZINC001206037355 813175334 /nfs/dbraw/zinc/17/53/34/813175334.db2.gz GFTMDKCWNDFNQH-UHFFFAOYSA-N -1 3 276.336 3.199 20 0 CGADHM [O-]c1ccc(-c2ccc(-n3cccc3)cn2)c(F)c1 ZINC001206037101 813175849 /nfs/dbraw/zinc/17/58/49/813175849.db2.gz CSUROZNJKLGDAV-UHFFFAOYSA-N -1 3 254.264 3.384 20 0 CGADHM CC1(C)CC(=O)Nc2nc(-c3ccc([O-])cc3F)ccc21 ZINC001206044658 813179228 /nfs/dbraw/zinc/17/92/28/813179228.db2.gz QYQVSYZJMKBDIA-UHFFFAOYSA-N -1 3 286.306 3.213 20 0 CGADHM [O-]c1ccc(-c2nc(CC3CC3)nc3[nH]ccc32)c(F)c1 ZINC001206051119 813182180 /nfs/dbraw/zinc/18/21/80/813182180.db2.gz HEWSVSBZMUGYMI-UHFFFAOYSA-N -1 3 283.306 3.374 20 0 CGADHM COC(=O)c1c(F)cccc1-c1ccc([O-])cc1F ZINC001206072795 813190748 /nfs/dbraw/zinc/19/07/48/813190748.db2.gz GTZCEOUYYOBJHQ-UHFFFAOYSA-N -1 3 264.227 3.124 20 0 CGADHM CCCOc1ccc(-c2ccccc2-c2nnn[n-]2)c(F)c1 ZINC001206136524 813210720 /nfs/dbraw/zinc/21/07/20/813210720.db2.gz LKZDZTIVGPOQKL-UHFFFAOYSA-N -1 3 298.321 3.462 20 0 CGADHM CCCOc1ccc(-c2ccccc2-c2nn[n-]n2)c(F)c1 ZINC001206136524 813210723 /nfs/dbraw/zinc/21/07/23/813210723.db2.gz LKZDZTIVGPOQKL-UHFFFAOYSA-N -1 3 298.321 3.462 20 0 CGADHM CC(C)Oc1cc(-c2cccc(-c3nnn[n-]3)c2)ccc1F ZINC001206191693 813233964 /nfs/dbraw/zinc/23/39/64/813233964.db2.gz SXJQXLPKVLHEPU-UHFFFAOYSA-N -1 3 298.321 3.460 20 0 CGADHM CC(C)Oc1cc(-c2cccc(-c3nn[n-]n3)c2)ccc1F ZINC001206191693 813233969 /nfs/dbraw/zinc/23/39/69/813233969.db2.gz SXJQXLPKVLHEPU-UHFFFAOYSA-N -1 3 298.321 3.460 20 0 CGADHM CCCOc1ccc(F)c(-c2ccc(=S)[n-]n2)c1F ZINC001206732568 813411546 /nfs/dbraw/zinc/41/15/46/813411546.db2.gz DQEQXWQCCOEJOD-UHFFFAOYSA-N -1 3 282.315 3.499 20 0 CGADHM CCOc1cncc(-c2ccc3c(c2)[N-]C(=S)C3)c1 ZINC001242660147 823085591 /nfs/dbraw/zinc/08/55/91/823085591.db2.gz JSCPXJARYILWTL-UHFFFAOYSA-N -1 3 270.357 3.443 20 0 CGADHM FC(F)(F)c1ncc(-c2ccc3c(c2)[N-]C(=S)C3)cn1 ZINC001242664485 823088161 /nfs/dbraw/zinc/08/81/61/823088161.db2.gz VNTLWHOTBZUAME-UHFFFAOYSA-N -1 3 295.289 3.458 20 0 CGADHM COc1cc(C)c(Nc2cc([O-])c(F)cc2F)cn1 ZINC001209872375 814180295 /nfs/dbraw/zinc/18/02/95/814180295.db2.gz ZOICUCFNYARTKQ-UHFFFAOYSA-N -1 3 266.247 3.126 20 0 CGADHM O=C1N=NC(=O)c2c(Nc3ccc(F)cc3[O-])cccc21 ZINC001210016908 814246931 /nfs/dbraw/zinc/24/69/31/814246931.db2.gz PLAODDOWSLTFQG-UHFFFAOYSA-N -1 3 285.234 3.021 20 0 CGADHM Nc1ccc2cn(-c3ccc(F)cc3[O-])nc2c1Cl ZINC001210020918 814249038 /nfs/dbraw/zinc/24/90/38/814249038.db2.gz PUMKKMIUMCMULJ-UHFFFAOYSA-N -1 3 277.686 3.106 20 0 CGADHM [O-]c1c(Cl)cccc1Nc1cccc2nccn21 ZINC001210216160 814344770 /nfs/dbraw/zinc/34/47/70/814344770.db2.gz FOAZDEBFJZMBOI-UHFFFAOYSA-N -1 3 259.696 3.437 20 0 CGADHM Cc1ccc(O)c(Nc2cccc(Cl)c2[O-])n1 ZINC001210216103 814344995 /nfs/dbraw/zinc/34/49/95/814344995.db2.gz QSSCBOILUWKSMY-UHFFFAOYSA-N -1 3 250.685 3.198 20 0 CGADHM [O-]c1c(Cl)cccc1Nc1cc(F)ncc1F ZINC001210218593 814347145 /nfs/dbraw/zinc/34/71/45/814347145.db2.gz ACKUIIJYSOCDTA-UHFFFAOYSA-N -1 3 256.639 3.462 20 0 CGADHM COC(=O)c1ccnc(C)c1Nc1cccc(Cl)c1[O-] ZINC001210220835 814348968 /nfs/dbraw/zinc/34/89/68/814348968.db2.gz RVSLVBUDIHLZQM-UHFFFAOYSA-N -1 3 292.722 3.279 20 0 CGADHM Cn1nnc2cc(Nc3cccc(Cl)c3[O-])ccc21 ZINC001210222013 814349122 /nfs/dbraw/zinc/34/91/22/814349122.db2.gz JFPQXJDXDVVJJX-UHFFFAOYSA-N -1 3 274.711 3.071 20 0 CGADHM CC(=O)c1ccc(Nc2cccc(Cl)c2[O-])cn1 ZINC001210274883 814374143 /nfs/dbraw/zinc/37/41/43/814374143.db2.gz WMNBRDPMRHDMLE-UHFFFAOYSA-N -1 3 262.696 3.387 20 0 CGADHM CC(C)n1cc(Nc2cc(F)c([O-])cc2F)cn1 ZINC001210322943 814405497 /nfs/dbraw/zinc/40/54/97/814405497.db2.gz BJRNAZCWXVAUBU-UHFFFAOYSA-N -1 3 253.252 3.191 20 0 CGADHM CC(C)n1ccc([N-]c2cc(-c3ccco3)no2)n1 ZINC001210341432 814411215 /nfs/dbraw/zinc/41/12/15/814411215.db2.gz HHAVFVSWIDMUEA-UHFFFAOYSA-N -1 3 258.281 3.456 20 0 CGADHM [O-]c1cc(Nc2ccc3ncncc3c2)c(F)cc1F ZINC001210456816 814466668 /nfs/dbraw/zinc/46/66/68/814466668.db2.gz GNULCECXFFDFDM-UHFFFAOYSA-N -1 3 273.242 3.357 20 0 CGADHM [O-]c1cc(Nc2cccc3c2OCO3)c(F)cc1F ZINC001210560547 814526858 /nfs/dbraw/zinc/52/68/58/814526858.db2.gz XPORMEYOPRENCL-UHFFFAOYSA-N -1 3 265.215 3.143 20 0 CGADHM CSc1cc(C)ccc1Nc1cc(=O)[n-]c(C)n1 ZINC001215871233 815619505 /nfs/dbraw/zinc/61/95/05/815619505.db2.gz XZIQKFFXFMLMJO-UHFFFAOYSA-N -1 3 261.350 3.265 20 0 CGADHM CCOc1cncc(Nc2cc(=O)n(-c3ccccc3)[n-]2)c1 ZINC001210663448 814575749 /nfs/dbraw/zinc/57/57/49/814575749.db2.gz YRMXFBNRFAMJNF-UHFFFAOYSA-N -1 3 296.330 3.115 20 0 CGADHM O=c1cnc2cc(Nc3cccc([O-])c3Cl)ccc2[nH]1 ZINC001210859212 814653552 /nfs/dbraw/zinc/65/35/52/814653552.db2.gz FJICDWYGSSIHKB-UHFFFAOYSA-N -1 3 287.706 3.026 20 0 CGADHM Nc1cccc2c1CCN2c1cccc([O-])c1Cl ZINC001210860039 814654745 /nfs/dbraw/zinc/65/47/45/814654745.db2.gz RDVPRNGTYVSEJR-UHFFFAOYSA-N -1 3 260.724 3.322 20 0 CGADHM [O-]c1c(Cl)cc(Nc2ccnc(CO)c2)cc1Cl ZINC001210927026 814678175 /nfs/dbraw/zinc/67/81/75/814678175.db2.gz PJFJEKJVRCCOOR-UHFFFAOYSA-N -1 3 285.130 3.330 20 0 CGADHM Cc1c(CO)cccc1Nc1cc(F)c([O-])c(F)c1 ZINC001211166245 814839732 /nfs/dbraw/zinc/83/97/32/814839732.db2.gz PLLUKESLBOEAHH-UHFFFAOYSA-N -1 3 265.259 3.215 20 0 CGADHM Cc1cnc(F)c(Nc2cc([O-])c(F)cc2F)c1 ZINC001211503581 814898461 /nfs/dbraw/zinc/89/84/61/814898461.db2.gz HVTMTYQDTNJPOF-UHFFFAOYSA-N -1 3 254.211 3.257 20 0 CGADHM Cc1nc(OC(C)C)ccc1Nc1ncc(F)cc1[O-] ZINC001215918935 815630200 /nfs/dbraw/zinc/63/02/00/815630200.db2.gz MYKGFKQZVZCAPW-UHFFFAOYSA-N -1 3 277.299 3.161 20 0 CGADHM O=c1[n-]cncc1Nc1cc(-c2ccccc2)cnc1F ZINC001216071629 815680005 /nfs/dbraw/zinc/68/00/05/815680005.db2.gz KPLREOQQHOWPNT-UHFFFAOYSA-N -1 3 282.278 3.127 20 0 CGADHM CC(=O)c1ncccc1Nc1cc(C)c(F)c([O-])c1 ZINC001216078751 815684568 /nfs/dbraw/zinc/68/45/68/815684568.db2.gz CUMCYNIRBZAJMB-UHFFFAOYSA-N -1 3 260.268 3.181 20 0 CGADHM CCc1cccnc1-c1noc(-c2c(C)cccc2[O-])n1 ZINC001216540305 815853647 /nfs/dbraw/zinc/85/36/47/815853647.db2.gz LSRBYEMZZPLLAS-UHFFFAOYSA-N -1 3 281.315 3.375 20 0 CGADHM Cc1cc(C)c(-c2noc(-c3c(C)cccc3[O-])n2)cn1 ZINC001216540215 815854269 /nfs/dbraw/zinc/85/42/69/815854269.db2.gz GIVWRRXDPSSIOJ-UHFFFAOYSA-N -1 3 281.315 3.429 20 0 CGADHM Cc1cc(C)cc(-c2noc(-c3cc(O)ccc3[O-])n2)c1 ZINC001216735384 815894837 /nfs/dbraw/zinc/89/48/37/815894837.db2.gz HUATZLMMIITPGQ-UHFFFAOYSA-N -1 3 282.299 3.432 20 0 CGADHM COc1ccc(-c2nnn[n-]2)cc1-c1ccccc1Cl ZINC001222441214 816446142 /nfs/dbraw/zinc/44/61/42/816446142.db2.gz QNMSJCCFVAKFLN-UHFFFAOYSA-N -1 3 286.722 3.196 20 0 CGADHM COc1ccc(-c2nn[n-]n2)cc1-c1ccccc1Cl ZINC001222441214 816446148 /nfs/dbraw/zinc/44/61/48/816446148.db2.gz QNMSJCCFVAKFLN-UHFFFAOYSA-N -1 3 286.722 3.196 20 0 CGADHM Cc1ncc(-c2ccc(F)c([O-])c2)c(C(F)(F)F)n1 ZINC001243052079 823228486 /nfs/dbraw/zinc/22/84/86/823228486.db2.gz XDQPGUUYLXERBX-UHFFFAOYSA-N -1 3 272.201 3.316 20 0 CGADHM [O-]c1cc(-c2ccc(-c3cccnc3)nn2)ccc1F ZINC001243046163 823224154 /nfs/dbraw/zinc/22/41/54/823224154.db2.gz BPGJCHBFLAZONV-UHFFFAOYSA-N -1 3 267.263 3.050 20 0 CGADHM COc1cc(F)c(-c2ccc(F)c([O-])c2)cc1F ZINC001243047433 823225186 /nfs/dbraw/zinc/22/51/86/823225186.db2.gz CNJABLDZBDDRLO-UHFFFAOYSA-N -1 3 254.207 3.485 20 0 CGADHM [O-]c1cc(-c2cncc(C(F)(F)F)n2)ccc1F ZINC001243049233 823226633 /nfs/dbraw/zinc/22/66/33/823226633.db2.gz SIZDRWFSLLKCHW-UHFFFAOYSA-N -1 3 258.174 3.007 20 0 CGADHM O=C1Nc2c(cccc2-c2ccc(F)c([O-])c2)C12CC2 ZINC001243050083 823226643 /nfs/dbraw/zinc/22/66/43/823226643.db2.gz FVKSYHNTSZEASR-UHFFFAOYSA-N -1 3 269.275 3.182 20 0 CGADHM COc1cc(-c2ccc(F)c([O-])c2)cc(OC)c1OC ZINC001243050421 823227531 /nfs/dbraw/zinc/22/75/31/823227531.db2.gz VREBZGGHNVZJEM-UHFFFAOYSA-N -1 3 278.279 3.224 20 0 CGADHM CN(C)C(=O)c1ccc(F)c(-c2ccc(F)c([O-])c2)c1 ZINC001243051475 823228402 /nfs/dbraw/zinc/22/84/02/823228402.db2.gz QITSRZPFAXXMIK-UHFFFAOYSA-N -1 3 277.270 3.039 20 0 CGADHM COc1cc2c(cc1F)ncnc2-c1ccc(F)c([O-])c1 ZINC001243053841 823229537 /nfs/dbraw/zinc/22/95/37/823229537.db2.gz HDIMNEWNNDPRDK-UHFFFAOYSA-N -1 3 288.253 3.289 20 0 CGADHM COC(=O)c1ccc(N(C)C)c(-c2ccc(F)c([O-])c2)c1 ZINC001243060995 823231791 /nfs/dbraw/zinc/23/17/91/823231791.db2.gz BURDBWDONLZKLO-UHFFFAOYSA-N -1 3 289.306 3.051 20 0 CGADHM COC(=O)c1cc(F)c(C)c(-c2ccc(F)c([O-])c2)c1 ZINC001243063918 823232504 /nfs/dbraw/zinc/23/25/04/823232504.db2.gz XMOUIXVOCXSSIN-UHFFFAOYSA-N -1 3 278.254 3.432 20 0 CGADHM Cc1cnc(=S)[n-]c1O[C@@H](C)Cc1ccccc1 ZINC001225743091 817164286 /nfs/dbraw/zinc/16/42/86/817164286.db2.gz SORSRMCOLGQFPE-NSHDSACASA-N -1 3 260.362 3.084 20 0 CGADHM CC(=O)c1ccc([O-])c(O[C@@H](C)c2cccnc2F)c1 ZINC001225996307 817243602 /nfs/dbraw/zinc/24/36/02/817243602.db2.gz WIJIYKNLASNYDK-JTQLQIEISA-N -1 3 275.279 3.269 20 0 CGADHM Cc1c(=O)[n-]cnc1O[C@H](c1ccccc1)C(F)(F)F ZINC001226071073 817264719 /nfs/dbraw/zinc/26/47/19/817264719.db2.gz MABGWPHNLHEYGO-SNVBAGLBSA-N -1 3 284.237 3.173 20 0 CGADHM Cc1ccc([C@@H](C)Oc2[n-]c(=S)ncc2C2CC2)cn1 ZINC001226119845 817278041 /nfs/dbraw/zinc/27/80/41/817278041.db2.gz PBOZPFGGTCTGCN-SNVBAGLBSA-N -1 3 287.388 3.486 20 0 CGADHM F[C@H]1CCCC[C@H]1Oc1[n-]c(=S)ncc1C1CC1 ZINC001226120788 817279859 /nfs/dbraw/zinc/27/98/59/817279859.db2.gz UFGRSVCBGFSNDE-WDEREUQCSA-N -1 3 268.357 3.302 20 0 CGADHM S=c1nc2c(c(O[C@@H](c3cccnc3)C3CC3)[n-]1)CCC2 ZINC001226300795 817323538 /nfs/dbraw/zinc/32/35/38/817323538.db2.gz SQIXKQNDPRENLQ-CQSZACIVSA-N -1 3 299.399 3.179 20 0 CGADHM CCc1nc(OC2CCC(C(F)(F)F)CC2)cc(=O)[n-]1 ZINC001226472375 817367821 /nfs/dbraw/zinc/36/78/21/817367821.db2.gz FXIQRCPBRFAZOJ-UHFFFAOYSA-N -1 3 290.285 3.245 20 0 CGADHM CCc1nc(O[C@H]2CCc3cccc(C)c32)cc(=O)[n-]1 ZINC001226472901 817368370 /nfs/dbraw/zinc/36/83/70/817368370.db2.gz OSCNJWVDEJDECM-LBPRGKRZSA-N -1 3 270.332 3.119 20 0 CGADHM CCCC(=O)[C@H](CCC)Oc1c([O-])ccc(C(C)=O)c1O ZINC001226481282 817371390 /nfs/dbraw/zinc/37/13/90/817371390.db2.gz DXDKUZUKBZEREN-AWEZNQCLSA-N -1 3 294.347 3.217 20 0 CGADHM Cc1nc(O[C@H](C)c2csc(Cl)c2)cc(=O)[n-]1 ZINC001226509742 817379783 /nfs/dbraw/zinc/37/97/83/817379783.db2.gz CTYKPDLRLWMOAI-ZCFIWIBFSA-N -1 3 270.741 3.346 20 0 CGADHM O=c1nc2nc(Cl)ccc2c(O[C@H]2CCCC[C@@H]2F)[n-]1 ZINC001226555689 817396657 /nfs/dbraw/zinc/39/66/57/817396657.db2.gz FNMZHDDTUJYMDA-IUCAKERBSA-N -1 3 297.717 3.043 20 0 CGADHM CCOC(=O)[C@H](CC(C)C)Oc1cccc([O-])c1Cl ZINC001226708497 817440591 /nfs/dbraw/zinc/44/05/91/817440591.db2.gz GLFJOYAZDFESTN-LBPRGKRZSA-N -1 3 286.755 3.402 20 0 CGADHM Cc1cc(O[C@H](C)c2cccnc2Cl)[n-]c(=S)n1 ZINC001226799881 817470286 /nfs/dbraw/zinc/47/02/86/817470286.db2.gz CKIQLPROGTXGTD-MRVPVSSYSA-N -1 3 281.768 3.262 20 0 CGADHM CC[C@@H](Oc1[n-]c(=O)ncc1OC)c1cccc(F)c1C ZINC001226829385 817476673 /nfs/dbraw/zinc/47/66/73/817476673.db2.gz ZJHGHMULTHMVNR-GFCCVEGCSA-N -1 3 292.310 3.168 20 0 CGADHM C[C@H](Oc1cnc[n-]c1=O)c1ccc(C(F)(F)F)cc1 ZINC001227048720 817543316 /nfs/dbraw/zinc/54/33/16/817543316.db2.gz JPXHMONMGQMLKS-QMMMGPOBSA-N -1 3 284.237 3.341 20 0 CGADHM O=c1[n-]cncc1O[C@@H]1CCc2cc(C(F)(F)F)ccc21 ZINC001227051583 817544268 /nfs/dbraw/zinc/54/42/68/817544268.db2.gz LYGAHNRLQFACRF-LLVKDONJSA-N -1 3 296.248 3.267 20 0 CGADHM CC1(C)C[C@H](Oc2cc(=O)cc(C(F)(F)F)[n-]2)CCO1 ZINC001227582820 817676137 /nfs/dbraw/zinc/67/61/37/817676137.db2.gz FYRNBROUJCRSTH-SECBINFHSA-N -1 3 291.269 3.142 20 0 CGADHM [O-]c1cc(Br)cc(F)c1OC1CCC1 ZINC001227587699 817677388 /nfs/dbraw/zinc/67/73/88/817677388.db2.gz LPKNMZVTRCHWHK-UHFFFAOYSA-N -1 3 261.090 3.225 20 0 CGADHM S=c1nc2nc[n-]c2c(O[C@H]2CCCc3ccccc32)[nH]1 ZINC001227612413 817681973 /nfs/dbraw/zinc/68/19/73/817681973.db2.gz BKYGWNYIDDHMCB-NSHDSACASA-N -1 3 298.371 3.098 20 0 CGADHM CCCc1c([O-])ccc(C(C)=O)c1O[C@@H]1CCO[C@@H](C)C1 ZINC001228134793 817820294 /nfs/dbraw/zinc/82/02/94/817820294.db2.gz RDWQQLFIWDLRDG-WCQYABFASA-N -1 3 292.375 3.494 20 0 CGADHM CCCc1c([O-])ccc(C(C)=O)c1O[C@H]1CCCOC1 ZINC001228130634 817820684 /nfs/dbraw/zinc/82/06/84/817820684.db2.gz CEMZERIULNHVHJ-LBPRGKRZSA-N -1 3 278.348 3.105 20 0 CGADHM CCC[C@@H](C)Oc1c([O-])ccc2c(C)cc(=O)oc21 ZINC001228631527 817957263 /nfs/dbraw/zinc/95/72/63/817957263.db2.gz YMRYWQCVBCBTPG-SNVBAGLBSA-N -1 3 262.305 3.374 20 0 CGADHM CC(C)C[C@H](Oc1n[n-]c(-c2ccncc2)n1)C(C)C ZINC001228698659 817979407 /nfs/dbraw/zinc/97/94/07/817979407.db2.gz ZJPNFACVGQSPGK-ZDUSSCGKSA-N -1 3 274.368 3.316 20 0 CGADHM CC(=O)[C@H](Oc1cc2c(cc1[O-])CCC2=O)c1ccccc1 ZINC001228854158 818024193 /nfs/dbraw/zinc/02/41/93/818024193.db2.gz OQMABVHBOFJZLJ-SFHVURJKSA-N -1 3 296.322 3.230 20 0 CGADHM CCCC[C@@H](CC)Oc1cccc(-c2nnn[n-]2)c1 ZINC001231117371 818034428 /nfs/dbraw/zinc/03/44/28/818034428.db2.gz ACQQACDDOZCJTH-GFCCVEGCSA-N -1 3 260.341 3.214 20 0 CGADHM CCCC[C@@H](CC)Oc1cccc(-c2nn[n-]n2)c1 ZINC001231117371 818034433 /nfs/dbraw/zinc/03/44/33/818034433.db2.gz ACQQACDDOZCJTH-GFCCVEGCSA-N -1 3 260.341 3.214 20 0 CGADHM O=C([O-])c1ccc(CN2CC[C@@H](F)C(F)(F)CC2)s1 ZINC001231461465 818101915 /nfs/dbraw/zinc/10/19/15/818101915.db2.gz IZATWCKCVHRDJJ-SNVBAGLBSA-N -1 3 293.310 3.016 20 0 CGADHM [O-]c1ccc(CN2C[C@@H]3C[C@H]2C[C@H]3F)cc1C(F)(F)F ZINC001231525029 818121095 /nfs/dbraw/zinc/12/10/95/818121095.db2.gz RVIQJHONKLGSLN-JBLDHEPKSA-N -1 3 289.272 3.343 20 0 CGADHM Cc1ccc([O-])c(CN(C)[C@@H](C2CCC2)C(F)(F)F)n1 ZINC001231674506 818156313 /nfs/dbraw/zinc/15/63/13/818156313.db2.gz XFPHKCWGYLTTBO-ZDUSSCGKSA-N -1 3 288.313 3.258 20 0 CGADHM Cc1ccc([O-])c(CN2CCc3c4ccccc4oc3C2)n1 ZINC001231674283 818156491 /nfs/dbraw/zinc/15/64/91/818156491.db2.gz LNOXREPJDQYFTI-UHFFFAOYSA-N -1 3 294.354 3.400 20 0 CGADHM [O-]c1cc(CN2CC[C@]3(C2)CCCCO3)ccc1Cl ZINC001231731515 818162383 /nfs/dbraw/zinc/16/23/83/818162383.db2.gz NNMGHYDKTYAQCZ-HNNXBMFYSA-N -1 3 281.783 3.191 20 0 CGADHM [O-]c1cc(CN2CCC(n3cccn3)CC2)ccc1Cl ZINC001231736635 818163192 /nfs/dbraw/zinc/16/31/92/818163192.db2.gz JHTXYFNPNYJJQJ-UHFFFAOYSA-N -1 3 291.782 3.079 20 0 CGADHM COC(C)(C)[C@@H]1CCCN1Cc1ccc(F)c([O-])c1F ZINC001232934574 818475140 /nfs/dbraw/zinc/47/51/40/818475140.db2.gz IBHLKAAMKQDNGZ-LBPRGKRZSA-N -1 3 285.334 3.060 20 0 CGADHM C[C@@H]1CCN(Cc2cc(Cl)ncc2[O-])[C@@H](C)C1 ZINC001233035165 818505929 /nfs/dbraw/zinc/50/59/29/818505929.db2.gz YRLGZERFZLGFSB-ZJUUUORDSA-N -1 3 254.761 3.061 20 0 CGADHM [O-]c1cccc(CN2CCC[C@H](C(F)F)C2)c1F ZINC001233052376 818512169 /nfs/dbraw/zinc/51/21/69/818512169.db2.gz DECFHIXIBSEXNF-JTQLQIEISA-N -1 3 259.271 3.008 20 0 CGADHM [O-]c1cccc(CN2CCC[C@H]2c2ccccn2)c1F ZINC001233054063 818513804 /nfs/dbraw/zinc/51/38/04/818513804.db2.gz ZEHXFYZKGMEAIY-AWEZNQCLSA-N -1 3 272.323 3.263 20 0 CGADHM [S-]c1ccc(CN2CCN(c3ccccc3)CC2)cc1 ZINC001233258649 818558964 /nfs/dbraw/zinc/55/89/64/818558964.db2.gz NVDNXWRWCCMGMS-UHFFFAOYSA-N -1 3 284.428 3.298 20 0 CGADHM OCCN(Cc1cccs1)Cc1ccc([S-])cc1 ZINC001233261273 818559126 /nfs/dbraw/zinc/55/91/26/818559126.db2.gz JADWTGBNCVCNNZ-UHFFFAOYSA-N -1 3 279.430 3.031 20 0 CGADHM CN(C)Cc1ccnc(-c2cc(Cl)cc(C(=O)[O-])c2)c1 ZINC001243323787 823347729 /nfs/dbraw/zinc/34/77/29/823347729.db2.gz NGSIWXLZTSEWTB-UHFFFAOYSA-N -1 3 290.750 3.162 20 0 CGADHM CN(C)c1ccnc(-c2cc(Cl)cc(C(=O)[O-])c2)c1 ZINC001243323555 823347810 /nfs/dbraw/zinc/34/78/10/823347810.db2.gz ZPFPQPFTUAHSQP-UHFFFAOYSA-N -1 3 276.723 3.166 20 0 CGADHM CN(CCc1cccc(F)c1)Cc1c(F)ccc([O-])c1F ZINC001233396428 818610824 /nfs/dbraw/zinc/61/08/24/818610824.db2.gz BOWRQUMOOFODSX-UHFFFAOYSA-N -1 3 295.304 3.484 20 0 CGADHM CCC[C@@H](Oc1cc(Cl)c([O-])cc1C)C(=O)OCC ZINC001233593770 818653771 /nfs/dbraw/zinc/65/37/71/818653771.db2.gz ZTSQSOLMQHWKOF-GFCCVEGCSA-N -1 3 286.755 3.465 20 0 CGADHM COc1ccccc1[C@@H](C)Oc1ccc2occ([O-])c2c1 ZINC001233678132 818678895 /nfs/dbraw/zinc/67/88/95/818678895.db2.gz SWMWFEPVTYKAJH-LLVKDONJSA-N -1 3 284.311 3.410 20 0 CGADHM CCOC(=O)[C@@H]1CCC[C@@H](Oc2cccc([O-])c2F)C1 ZINC001233873131 818721541 /nfs/dbraw/zinc/72/15/41/818721541.db2.gz WFIKFJXOFIKYCJ-GHMZBOCLSA-N -1 3 282.311 3.032 20 0 CGADHM COc1cccc2c1[C@H](Oc1cccc([O-])c1F)CCO2 ZINC001233871482 818722105 /nfs/dbraw/zinc/72/21/05/818722105.db2.gz OYKOZNKDWTZOMC-CYBMUJFWSA-N -1 3 290.290 3.443 20 0 CGADHM CCCCC[C@@H](CC)Oc1cccc([O-])c1C(N)=O ZINC001234149315 818791732 /nfs/dbraw/zinc/79/17/32/818791732.db2.gz NNJDBYDNIRFEGE-LLVKDONJSA-N -1 3 265.353 3.229 20 0 CGADHM C[C@@H](Oc1c([O-])cc(Cl)cc1F)c1cncnc1 ZINC001234445904 818857021 /nfs/dbraw/zinc/85/70/21/818857021.db2.gz CEKMBQGAMRJRCM-SSDOTTSWSA-N -1 3 268.675 3.115 20 0 CGADHM C[C@H]1CCC[C@@H]1Oc1nc[n-]c(=O)c1-c1ccccc1 ZINC001234689424 818915016 /nfs/dbraw/zinc/91/50/16/818915016.db2.gz RHXUZWDNTRQSMX-AAEUAGOBSA-N -1 3 270.332 3.417 20 0 CGADHM [O-]c1cc(Cl)cc(-c2ccnc(N3CCCCC3)n2)c1 ZINC001235898425 819207533 /nfs/dbraw/zinc/20/75/33/819207533.db2.gz HLJQHOOHLHCHJY-UHFFFAOYSA-N -1 3 289.766 3.493 20 0 CGADHM CCOc1cc(C)nc(-c2cc([O-])cc(Cl)c2)n1 ZINC001235898864 819209635 /nfs/dbraw/zinc/20/96/35/819209635.db2.gz DYWJPYGILAPPJD-UHFFFAOYSA-N -1 3 264.712 3.210 20 0 CGADHM CC(C)Oc1cc(-c2cc([O-])cc(Cl)c2)ncn1 ZINC001235900455 819211257 /nfs/dbraw/zinc/21/12/57/819211257.db2.gz NSKSJNVBYHMHEQ-UHFFFAOYSA-N -1 3 264.712 3.290 20 0 CGADHM CCc1nnc(-c2cc([O-])cc(Cl)c2)nc1CC ZINC001235904980 819214540 /nfs/dbraw/zinc/21/45/40/819214540.db2.gz TVQXLJGVSUJPBP-UHFFFAOYSA-N -1 3 263.728 3.022 20 0 CGADHM COc1ccc(-c2nnn[n-]2)cc1-c1ccc(Cl)cc1 ZINC001236092221 819311056 /nfs/dbraw/zinc/31/10/56/819311056.db2.gz UZRJBJGVCDXACE-UHFFFAOYSA-N -1 3 286.722 3.196 20 0 CGADHM COc1ccc(-c2nn[n-]n2)cc1-c1ccc(Cl)cc1 ZINC001236092221 819311061 /nfs/dbraw/zinc/31/10/61/819311061.db2.gz UZRJBJGVCDXACE-UHFFFAOYSA-N -1 3 286.722 3.196 20 0 CGADHM CCOC(=O)c1c(F)cncc1-c1c(F)ccc(C)c1[O-] ZINC001236406239 819454360 /nfs/dbraw/zinc/45/43/60/819454360.db2.gz PYHMDENZBGZQAM-UHFFFAOYSA-N -1 3 293.269 3.218 20 0 CGADHM [O-]c1cc(CN2CCC(C(F)F)CC2)ccc1F ZINC001236711370 819578261 /nfs/dbraw/zinc/57/82/61/819578261.db2.gz SYPWTEDSGJMDPP-UHFFFAOYSA-N -1 3 259.271 3.008 20 0 CGADHM C[C@@H]1Oc2ccc(-c3cc(F)cc(F)c3[O-])cc2NC1=O ZINC001243502681 823421515 /nfs/dbraw/zinc/42/15/15/823421515.db2.gz NWOJTIUJKPNFJY-ZETCQYMHSA-N -1 3 291.253 3.057 20 0 CGADHM Cc1cc(N(C)C)ncc1-c1cc(F)cc(F)c1[O-] ZINC001243503235 823422604 /nfs/dbraw/zinc/42/26/04/823422604.db2.gz SKGXGELPALNSAA-UHFFFAOYSA-N -1 3 264.275 3.107 20 0 CGADHM Cc1cc(N)c(F)cc1-c1cc(F)cc(F)c1[O-] ZINC001243505892 823423909 /nfs/dbraw/zinc/42/39/09/823423909.db2.gz XBQIVFOZVFMCIH-UHFFFAOYSA-N -1 3 253.223 3.367 20 0 CGADHM CC1(C)CN(Cc2sc(=O)[n-]c2Cl)CCC1(F)F ZINC001237156363 819683233 /nfs/dbraw/zinc/68/32/33/819683233.db2.gz APCDXAMLZLGDRK-UHFFFAOYSA-N -1 3 296.770 3.369 20 0 CGADHM [O-]c1cccc(-c2ncnc3c(F)cccc32)c1F ZINC001243541445 823435659 /nfs/dbraw/zinc/43/56/59/823435659.db2.gz BKAKZTPTBGMUEX-UHFFFAOYSA-N -1 3 258.227 3.281 20 0 CGADHM [O-]c1cccc(-c2ccc(-c3cccnc3)nn2)c1F ZINC001243542086 823435903 /nfs/dbraw/zinc/43/59/03/823435903.db2.gz KVKWFYDQJJQZHK-UHFFFAOYSA-N -1 3 267.263 3.050 20 0 CGADHM CC(C)(C)NC(=O)c1cccnc1-c1cccc([O-])c1F ZINC001243540927 823435942 /nfs/dbraw/zinc/43/59/42/823435942.db2.gz AJBRPHRCFIOGQY-UHFFFAOYSA-N -1 3 288.322 3.122 20 0 CGADHM Cc1[nH]c2ncnc(-c3cccc([O-])c3F)c2c1C ZINC001243542349 823436690 /nfs/dbraw/zinc/43/66/90/823436690.db2.gz OEXKBCNKQQQKCR-UHFFFAOYSA-N -1 3 257.268 3.086 20 0 CGADHM [O-]c1cccc(-c2cccc(OC(F)(F)F)n2)c1F ZINC001243542838 823436704 /nfs/dbraw/zinc/43/67/04/823436704.db2.gz LRPVEFDOKIEPMK-UHFFFAOYSA-N -1 3 273.185 3.492 20 0 CGADHM [O-]c1cccc(-c2nncc3cc(F)ccc32)c1F ZINC001243544758 823437092 /nfs/dbraw/zinc/43/70/92/823437092.db2.gz WTPZRCOYXMGDAQ-UHFFFAOYSA-N -1 3 258.227 3.281 20 0 CGADHM [O-]c1cccc(-c2ccnc(OC(F)F)c2)c1F ZINC001243548077 823440521 /nfs/dbraw/zinc/44/05/21/823440521.db2.gz ZGDIGQGBSBKHTQ-UHFFFAOYSA-N -1 3 255.195 3.195 20 0 CGADHM CN(C)c1ncc2cc(-c3cccc([O-])c3F)ccc2n1 ZINC001243544953 823437281 /nfs/dbraw/zinc/43/72/81/823437281.db2.gz LKILOEILCIGDOI-UHFFFAOYSA-N -1 3 283.306 3.208 20 0 CGADHM [O-]c1cccc(-c2ccc(-n3ccnc3)cc2)c1F ZINC001243545098 823437729 /nfs/dbraw/zinc/43/77/29/823437729.db2.gz REFXUEOWSPKEQK-UHFFFAOYSA-N -1 3 254.264 3.384 20 0 CGADHM [O-]c1cccc(-c2cc(C(F)(F)F)cn3ncnc23)c1F ZINC001243545222 823438037 /nfs/dbraw/zinc/43/80/37/823438037.db2.gz YNDWNKVLFALXDI-UHFFFAOYSA-N -1 3 297.211 3.260 20 0 CGADHM [O-]c1cccc(-c2ccc3c(c2)NC(=S)C3)c1F ZINC001243545518 823438075 /nfs/dbraw/zinc/43/80/75/823438075.db2.gz DFJOWRGMUOXSAL-UHFFFAOYSA-N -1 3 259.305 3.494 20 0 CGADHM O=c1ccc(-c2cccc([O-])c2F)cn1-c1cccc(F)c1 ZINC001243545575 823438175 /nfs/dbraw/zinc/43/81/75/823438175.db2.gz MSKPSQVRLWQIGO-UHFFFAOYSA-N -1 3 299.276 3.488 20 0 CGADHM [O-]c1cccc(-c2nc(C3CC3)nc3c2CCC3)c1F ZINC001243546082 823438792 /nfs/dbraw/zinc/43/87/92/823438792.db2.gz HLFUGAPBAISLOT-UHFFFAOYSA-N -1 3 270.307 3.354 20 0 CGADHM COC(=O)/C=C\c1ccc(-c2cccc([O-])c2F)cc1 ZINC001243546567 823438908 /nfs/dbraw/zinc/43/89/08/823438908.db2.gz PMCHCIAVPFBKJV-YFHOEESVSA-N -1 3 272.275 3.385 20 0 CGADHM Cc1cc(-c2cccc([O-])c2F)cc2c1NC(=O)CC2 ZINC001243546155 823439044 /nfs/dbraw/zinc/43/90/44/823439044.db2.gz UQCKKAGBEKCJPV-UHFFFAOYSA-N -1 3 271.291 3.391 20 0 CGADHM CN1CCc2ccc(-c3ccc(C(=O)[O-])cc3F)cc2C1 ZINC001239275396 820250339 /nfs/dbraw/zinc/25/03/39/820250339.db2.gz RSSHHUWWBUPHAK-UHFFFAOYSA-N -1 3 285.318 3.179 20 0 CGADHM [O-]c1cc(C(F)(F)F)ccc1-c1nccc2[nH]cnc21 ZINC001243605090 823464316 /nfs/dbraw/zinc/46/43/16/823464316.db2.gz RESCQFJAFNSJNW-UHFFFAOYSA-N -1 3 279.221 3.349 20 0 CGADHM Cc1ccc(-c2ccccc2C)cc1-c1nnn[n-]1 ZINC001239504603 820353345 /nfs/dbraw/zinc/35/33/45/820353345.db2.gz VPOAZZKJIURDSA-UHFFFAOYSA-N -1 3 250.305 3.151 20 0 CGADHM Cc1ccc(-c2ccccc2C)cc1-c1nn[n-]n1 ZINC001239504603 820353356 /nfs/dbraw/zinc/35/33/56/820353356.db2.gz VPOAZZKJIURDSA-UHFFFAOYSA-N -1 3 250.305 3.151 20 0 CGADHM Fc1ccc(-c2ccc3[nH]ccc3c2)cc1-c1nnn[n-]1 ZINC001239696603 820528696 /nfs/dbraw/zinc/52/86/96/820528696.db2.gz XNDFCANNWDFXDY-UHFFFAOYSA-N -1 3 279.278 3.154 20 0 CGADHM Fc1ccc(-c2ccc3[nH]ccc3c2)cc1-c1nn[n-]n1 ZINC001239696603 820528704 /nfs/dbraw/zinc/52/87/04/820528704.db2.gz XNDFCANNWDFXDY-UHFFFAOYSA-N -1 3 279.278 3.154 20 0 CGADHM c1ccc2c(c1)nccc2-c1ccc(-c2nnn[n-]2)cc1 ZINC001239851276 820657523 /nfs/dbraw/zinc/65/75/23/820657523.db2.gz LFBYYSRLDOGTOJ-UHFFFAOYSA-N -1 3 273.299 3.082 20 0 CGADHM c1ccc2c(c1)nccc2-c1ccc(-c2nn[n-]n2)cc1 ZINC001239851276 820657528 /nfs/dbraw/zinc/65/75/28/820657528.db2.gz LFBYYSRLDOGTOJ-UHFFFAOYSA-N -1 3 273.299 3.082 20 0 CGADHM Fc1ccc2[nH]ccc2c1-c1ccc(Cc2nnn[n-]2)cc1 ZINC001240219418 820894790 /nfs/dbraw/zinc/89/47/90/820894790.db2.gz GOYNQJJTDFOQST-UHFFFAOYSA-N -1 3 293.305 3.078 20 0 CGADHM Fc1ccc2[nH]ccc2c1-c1ccc(Cc2nn[n-]n2)cc1 ZINC001240219418 820894803 /nfs/dbraw/zinc/89/48/03/820894803.db2.gz GOYNQJJTDFOQST-UHFFFAOYSA-N -1 3 293.305 3.078 20 0 CGADHM CN1CCN(Cc2cccc(-c3ccc([S-])cc3)c2)CC1 ZINC001240293020 820941140 /nfs/dbraw/zinc/94/11/40/820941140.db2.gz VZPNFZXHPKYQSV-UHFFFAOYSA-N -1 3 298.455 3.390 20 0 CGADHM Cn1ccc2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc21 ZINC001240574430 821159595 /nfs/dbraw/zinc/15/95/95/821159595.db2.gz LCIQYZONFHFQHP-UHFFFAOYSA-N -1 3 275.315 3.025 20 0 CGADHM Cn1ccc2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc21 ZINC001240574430 821159599 /nfs/dbraw/zinc/15/95/99/821159599.db2.gz LCIQYZONFHFQHP-UHFFFAOYSA-N -1 3 275.315 3.025 20 0 CGADHM Cc1ccc(-c2ccc3ccn(C)c3c2)cc1-c1nnn[n-]1 ZINC001240577279 821162599 /nfs/dbraw/zinc/16/25/99/821162599.db2.gz SBJPPKHIRSISMF-UHFFFAOYSA-N -1 3 289.342 3.334 20 0 CGADHM Cc1ccc(-c2ccc3ccn(C)c3c2)cc1-c1nn[n-]n1 ZINC001240577279 821162604 /nfs/dbraw/zinc/16/26/04/821162604.db2.gz SBJPPKHIRSISMF-UHFFFAOYSA-N -1 3 289.342 3.334 20 0 CGADHM c1cc2ccc(-c3cccc(-c4nnn[n-]4)c3)cc2[nH]1 ZINC001240798643 821341503 /nfs/dbraw/zinc/34/15/03/821341503.db2.gz SMEAUUMJSCRZPD-UHFFFAOYSA-N -1 3 261.288 3.015 20 0 CGADHM c1cc2ccc(-c3cccc(-c4nn[n-]n4)c3)cc2[nH]1 ZINC001240798643 821341511 /nfs/dbraw/zinc/34/15/11/821341511.db2.gz SMEAUUMJSCRZPD-UHFFFAOYSA-N -1 3 261.288 3.015 20 0 CGADHM CC(C)(C)NC(=O)c1ccnc(-c2ccc([O-])c(F)c2)c1 ZINC001240781721 821321828 /nfs/dbraw/zinc/32/18/28/821321828.db2.gz GHSZQPSZFSPWCE-UHFFFAOYSA-N -1 3 288.322 3.122 20 0 CGADHM Cc1cc(-c2ccc([O-])c(F)c2)cc2c1NC(=O)CC2 ZINC001240787865 821328751 /nfs/dbraw/zinc/32/87/51/821328751.db2.gz UOIQUKMVMHNMJU-UHFFFAOYSA-N -1 3 271.291 3.391 20 0 CGADHM O=c1ccc2ccc(-c3ccc([O-])c(F)c3)cc2o1 ZINC001240788048 821329349 /nfs/dbraw/zinc/32/93/49/821329349.db2.gz XRKUTJPYVHGTNO-UHFFFAOYSA-N -1 3 256.232 3.305 20 0 CGADHM COC(=O)[C@H](C)c1cccc(-c2ccc([O-])c(F)c2)c1 ZINC001240789178 821330344 /nfs/dbraw/zinc/33/03/44/821330344.db2.gz UGUOZSMUTHTPSJ-SNVBAGLBSA-N -1 3 274.291 3.475 20 0 CGADHM CC1(C)C(=O)Nc2cc(-c3ccc([O-])c(F)c3)ccc21 ZINC001240790952 821333578 /nfs/dbraw/zinc/33/35/78/821333578.db2.gz RZPLYXZDFFLHQP-UHFFFAOYSA-N -1 3 271.291 3.428 20 0 CGADHM COC(=O)/C=C/c1ccc(-c2ccc([O-])c(F)c2)cc1 ZINC001240790543 821334284 /nfs/dbraw/zinc/33/42/84/821334284.db2.gz NVXLFAJZYSVCAW-RUDMXATFSA-N -1 3 272.275 3.385 20 0 CGADHM Cc1ccc(-c2cc(F)ccc2C)cc1-c1nnn[n-]1 ZINC001240922704 821417144 /nfs/dbraw/zinc/41/71/44/821417144.db2.gz ZCVZVIHMOSDLQZ-UHFFFAOYSA-N -1 3 268.295 3.290 20 0 CGADHM Cc1ccc(-c2cc(F)ccc2C)cc1-c1nn[n-]n1 ZINC001240922704 821417149 /nfs/dbraw/zinc/41/71/49/821417149.db2.gz ZCVZVIHMOSDLQZ-UHFFFAOYSA-N -1 3 268.295 3.290 20 0 CGADHM Cc1cc(-c2nnn[n-]2)ccc1-c1ccc(F)c(F)c1F ZINC001240993821 821475540 /nfs/dbraw/zinc/47/55/40/821475540.db2.gz QWXFVFJNYSAANY-UHFFFAOYSA-N -1 3 290.248 3.259 20 0 CGADHM Cc1cc(-c2nn[n-]n2)ccc1-c1ccc(F)c(F)c1F ZINC001240993821 821475543 /nfs/dbraw/zinc/47/55/43/821475543.db2.gz QWXFVFJNYSAANY-UHFFFAOYSA-N -1 3 290.248 3.259 20 0 CGADHM [O-]c1ccccc1-c1cc(OC(F)(F)F)ccn1 ZINC001241009049 821485167 /nfs/dbraw/zinc/48/51/67/821485167.db2.gz MWVULVSOZFCOTI-UHFFFAOYSA-N -1 3 255.195 3.353 20 0 CGADHM [O-]c1ccccc1-c1cnc2cc(F)c(F)cc2n1 ZINC001241009114 821485939 /nfs/dbraw/zinc/48/59/39/821485939.db2.gz NGVWZJUKFPLZDA-UHFFFAOYSA-N -1 3 258.227 3.281 20 0 CGADHM COc1c(C)cc(-c2ccc(-c3nnn[n-]3)cc2)cc1C ZINC001241017682 821493722 /nfs/dbraw/zinc/49/37/22/821493722.db2.gz NGHRZOGELNFDEX-UHFFFAOYSA-N -1 3 280.331 3.159 20 0 CGADHM COc1c(C)cc(-c2ccc(-c3nn[n-]n3)cc2)cc1C ZINC001241017682 821493727 /nfs/dbraw/zinc/49/37/27/821493727.db2.gz NGHRZOGELNFDEX-UHFFFAOYSA-N -1 3 280.331 3.159 20 0 CGADHM Cc1ccc(-c2cnc(C(F)(F)F)cn2)c([O-])c1 ZINC001241027612 821503022 /nfs/dbraw/zinc/50/30/22/821503022.db2.gz BUCRXLYLAQFODC-UHFFFAOYSA-N -1 3 254.211 3.176 20 0 CGADHM Cc1ccc(-c2cnc3ccc(F)cc3n2)c([O-])c1 ZINC001241030811 821506270 /nfs/dbraw/zinc/50/62/70/821506270.db2.gz USIHKIVSQFLMQP-UHFFFAOYSA-N -1 3 254.264 3.450 20 0 CGADHM Cc1ccc(-c2cncc(OCC(F)(F)F)n2)c([O-])c1 ZINC001241036532 821511680 /nfs/dbraw/zinc/51/16/80/821511680.db2.gz ZESZPCMUHPASCP-UHFFFAOYSA-N -1 3 284.237 3.099 20 0 CGADHM CCOc1ccc(C)cc1-c1ccccc1-c1nnn[n-]1 ZINC001241146407 821598990 /nfs/dbraw/zinc/59/89/90/821598990.db2.gz LSQLOYGDWVXOHB-UHFFFAOYSA-N -1 3 280.331 3.241 20 0 CGADHM CCOc1ccc(C)cc1-c1ccccc1-c1nn[n-]n1 ZINC001241146407 821598993 /nfs/dbraw/zinc/59/89/93/821598993.db2.gz LSQLOYGDWVXOHB-UHFFFAOYSA-N -1 3 280.331 3.241 20 0 CGADHM [O-]c1cc(F)cc(-c2ccc(-c3ccco3)nn2)c1 ZINC001241261303 821681375 /nfs/dbraw/zinc/68/13/75/821681375.db2.gz JJKQYEBQEXZKNI-UHFFFAOYSA-N -1 3 256.236 3.248 20 0 CGADHM COC(=O)c1ccc(OC)c(-c2cc([O-])cc(F)c2)c1F ZINC001241266946 821686446 /nfs/dbraw/zinc/68/64/46/821686446.db2.gz PMTKMJVJWUCXLP-UHFFFAOYSA-N -1 3 294.253 3.133 20 0 CGADHM COC(=O)c1ccc(-c2cc([O-])cc(F)c2)c(C)c1F ZINC001241270878 821688913 /nfs/dbraw/zinc/68/89/13/821688913.db2.gz FARAEKXZXKOVQS-UHFFFAOYSA-N -1 3 278.254 3.432 20 0 CGADHM COC(=O)c1ccc(C)c(-c2cc([O-])cc(F)c2)c1 ZINC001241271751 821689988 /nfs/dbraw/zinc/68/99/88/821689988.db2.gz JYYOCVYINKZJHH-UHFFFAOYSA-N -1 3 260.264 3.293 20 0 CGADHM [O-]c1cc(F)cc(-c2cc(C(F)(F)F)cn3ncnc23)c1 ZINC001241271628 821689872 /nfs/dbraw/zinc/68/98/72/821689872.db2.gz IDVQQWHCHFIPRK-UHFFFAOYSA-N -1 3 297.211 3.260 20 0 CGADHM COC(=O)c1cc(-c2cc([O-])cc(F)c2)cc2[nH]ccc21 ZINC001241271347 821689948 /nfs/dbraw/zinc/68/99/48/821689948.db2.gz CXFOQFMTKAUPSN-UHFFFAOYSA-N -1 3 285.274 3.466 20 0 CGADHM COC(=O)c1cccc(C)c1-c1cc([O-])cc(F)c1 ZINC001241271506 821690079 /nfs/dbraw/zinc/69/00/79/821690079.db2.gz GEMNTDYCWXAENX-UHFFFAOYSA-N -1 3 260.264 3.293 20 0 CGADHM Cn1cc(-c2cc([O-])cc(F)c2)c2ccccc2c1=O ZINC001241271633 821690387 /nfs/dbraw/zinc/69/03/87/821690387.db2.gz IEPQZOOOLZRGSO-UHFFFAOYSA-N -1 3 269.275 3.050 20 0 CGADHM COC(=O)c1cc(F)c(F)cc1-c1cc([O-])cc(F)c1 ZINC001241271803 821690405 /nfs/dbraw/zinc/69/04/05/821690405.db2.gz KJVWDDMDAYSEEQ-UHFFFAOYSA-N -1 3 282.217 3.263 20 0 CGADHM COC(=O)c1c(F)cc(F)cc1-c1cc([O-])cc(F)c1 ZINC001241276684 821695841 /nfs/dbraw/zinc/69/58/41/821695841.db2.gz BABJHRDEUBDZCY-UHFFFAOYSA-N -1 3 282.217 3.263 20 0 CGADHM COC(=O)c1cc(OC)ccc1-c1c(F)ccc([O-])c1F ZINC001241292825 821711090 /nfs/dbraw/zinc/71/10/90/821711090.db2.gz JLVCZZJZHHEBNL-UHFFFAOYSA-N -1 3 294.253 3.133 20 0 CGADHM Cc1cc2nccn2cc1-c1c(F)ccc([O-])c1F ZINC001241293003 821711522 /nfs/dbraw/zinc/71/15/22/821711522.db2.gz MOIIWVCLKJQKLC-UHFFFAOYSA-N -1 3 260.243 3.294 20 0 CGADHM CCn1nnc2c1ccc(-c1c(F)ccc([O-])c1F)c2C ZINC001241295279 821714217 /nfs/dbraw/zinc/71/42/17/821714217.db2.gz METSBDSNMODNOV-UHFFFAOYSA-N -1 3 289.285 3.410 20 0 CGADHM c1coc(-c2cccc(-c3ccc(-c4nnn[n-]4)cc3)c2)n1 ZINC001241443217 821836929 /nfs/dbraw/zinc/83/69/29/821836929.db2.gz CSNDMTLLFNJFPH-UHFFFAOYSA-N -1 3 289.298 3.189 20 0 CGADHM c1coc(-c2cccc(-c3ccc(-c4nn[n-]n4)cc3)c2)n1 ZINC001241443217 821836941 /nfs/dbraw/zinc/83/69/41/821836941.db2.gz CSNDMTLLFNJFPH-UHFFFAOYSA-N -1 3 289.298 3.189 20 0 CGADHM Cc1cc(-c2ccc(-c3nnn[n-]3)cc2)cc(C)c1F ZINC001241442646 821837166 /nfs/dbraw/zinc/83/71/66/821837166.db2.gz AJEUWKLXNMKTLE-UHFFFAOYSA-N -1 3 268.295 3.290 20 0 CGADHM Cc1cc(-c2ccc(-c3nn[n-]n3)cc2)cc(C)c1F ZINC001241442646 821837176 /nfs/dbraw/zinc/83/71/76/821837176.db2.gz AJEUWKLXNMKTLE-UHFFFAOYSA-N -1 3 268.295 3.290 20 0 CGADHM c1cc2ccncc2c(-c2ccc(-c3nnn[n-]3)cc2)c1 ZINC001241444007 821838240 /nfs/dbraw/zinc/83/82/40/821838240.db2.gz MIYZAMWUOHOQTF-UHFFFAOYSA-N -1 3 273.299 3.082 20 0 CGADHM c1cc2ccncc2c(-c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001241444007 821838244 /nfs/dbraw/zinc/83/82/44/821838244.db2.gz MIYZAMWUOHOQTF-UHFFFAOYSA-N -1 3 273.299 3.082 20 0 CGADHM Cc1cc(-c2ccc(-c3nnn[n-]3)cc2)cc2cc[nH]c21 ZINC001241446424 821842438 /nfs/dbraw/zinc/84/24/38/821842438.db2.gz WHKPXWXFUVMPMK-UHFFFAOYSA-N -1 3 275.315 3.323 20 0 CGADHM Cc1cc(-c2ccc(-c3nn[n-]n3)cc2)cc2cc[nH]c21 ZINC001241446424 821842446 /nfs/dbraw/zinc/84/24/46/821842446.db2.gz WHKPXWXFUVMPMK-UHFFFAOYSA-N -1 3 275.315 3.323 20 0 CGADHM CCCOc1ccc(-c2cc(F)cc(-c3nnn[n-]3)c2)cc1 ZINC001241750996 822123033 /nfs/dbraw/zinc/12/30/33/822123033.db2.gz WOOJASUDXQKSFZ-UHFFFAOYSA-N -1 3 298.321 3.462 20 0 CGADHM CCCOc1ccc(-c2cc(F)cc(-c3nn[n-]n3)c2)cc1 ZINC001241750996 822123039 /nfs/dbraw/zinc/12/30/39/822123039.db2.gz WOOJASUDXQKSFZ-UHFFFAOYSA-N -1 3 298.321 3.462 20 0 CGADHM Nc1cncc(-c2ccc([O-])c(C(F)(F)F)c2)c1 ZINC001242157471 822898982 /nfs/dbraw/zinc/89/89/82/822898982.db2.gz GZEPNZMZUGUYSD-UHFFFAOYSA-N -1 3 254.211 3.055 20 0 CGADHM Cc1ncc(-c2ccc([O-])c(C(F)(F)F)c2)cn1 ZINC001242158361 822899278 /nfs/dbraw/zinc/89/92/78/822899278.db2.gz VBRRVAVSSYOLEL-UHFFFAOYSA-N -1 3 254.211 3.176 20 0 CGADHM NC(=O)c1cccc(-c2ccc([O-])c(C(F)(F)F)c2)c1 ZINC001242161790 822900136 /nfs/dbraw/zinc/90/01/36/822900136.db2.gz DOWOEYZJUZJRMI-UHFFFAOYSA-N -1 3 281.233 3.177 20 0 CGADHM CC1(C)NC(=O)Cc2ccc(-c3ccc(F)cc3[O-])cc21 ZINC001242219355 822915847 /nfs/dbraw/zinc/91/58/47/822915847.db2.gz FRYOFDAPRUPCCP-UHFFFAOYSA-N -1 3 285.318 3.106 20 0 CGADHM O=C([O-])c1ccc(-c2cccc(C3=NCCC3)c2)cn1 ZINC001242338131 822955033 /nfs/dbraw/zinc/95/50/33/822955033.db2.gz VEGGQBYYDKTCND-UHFFFAOYSA-N -1 3 266.300 3.030 20 0 CGADHM O=C1CCCc2cc(-c3cccc(F)c3[O-])ccc2N1 ZINC001242351976 822962216 /nfs/dbraw/zinc/96/22/16/822962216.db2.gz FSAVVYFVEAGVHZ-UHFFFAOYSA-N -1 3 271.291 3.473 20 0 CGADHM CC(=O)c1ccc(-c2ccc3c(c2)[N-]C(=S)C3)cn1 ZINC001242404891 822982987 /nfs/dbraw/zinc/98/29/87/822982987.db2.gz PSRICLIPQIZMEU-UHFFFAOYSA-N -1 3 268.341 3.247 20 0 CGADHM Cc1cccc(CC(=O)[N-]OC(C)(C)C)c1Cl ZINC001338999633 936343610 /nfs/dbraw/zinc/34/36/10/936343610.db2.gz XGYVXVWNMJBHKJ-UHFFFAOYSA-N -1 3 255.745 3.037 20 0 CGADHM C[C@@]1(COC(=O)c2cccc3[n-]c(C(F)F)nc32)C[C@@H]1F ZINC001343760962 936512817 /nfs/dbraw/zinc/51/28/17/936512817.db2.gz JVVLWRLNVFUGKA-XPTSAGLGSA-N -1 3 298.264 3.405 20 0 CGADHM CSc1ccccc1[N-]C(=O)c1cnc(C(C)=O)s1 ZINC001349515115 936951145 /nfs/dbraw/zinc/95/11/45/936951145.db2.gz OIBOECIEOARIGH-UHFFFAOYSA-N -1 3 292.385 3.320 20 0 CGADHM CCCCCc1ccc(N=c2ncnc3[nH][n-]cc2-3)cc1 ZINC001472635810 937100474 /nfs/dbraw/zinc/10/04/74/937100474.db2.gz MELZTZYEROCUJA-UHFFFAOYSA-N -1 3 281.363 3.203 20 0 CGADHM C[C@H](CCNCc1nc(C(C)(C)C)cs1)CC(=O)[O-] ZINC001351743115 926827733 /nfs/dbraw/zinc/82/77/33/926827733.db2.gz VKZBPDGZRHBEFE-SNVBAGLBSA-N -1 3 284.425 3.031 20 0 CGADHM O=C(C[C@@H]1CCNc2ccccc21)[N-]OCc1ccccc1 ZINC001357321734 937170612 /nfs/dbraw/zinc/17/06/12/937170612.db2.gz ISNBZGUTIWVICE-HNNXBMFYSA-N -1 3 296.370 3.224 20 0 CGADHM COc1ccc(C)cc1COC(=O)c1ccc([O-])cc1 ZINC000005280072 928123131 /nfs/dbraw/zinc/12/31/31/928123131.db2.gz WGSATKIHUIQJMI-UHFFFAOYSA-N -1 3 272.300 3.066 20 0 CGADHM CCCC[C@H](CC)COCCC[N-]C(=O)C(F)(F)F ZINC000230842901 928187775 /nfs/dbraw/zinc/18/77/75/928187775.db2.gz ICTVAXQPDDSLGE-NSHDSACASA-N -1 3 283.334 3.288 20 0 CGADHM CSc1ccc([O-])c(C(=O)N[C@@H](C)c2ccccn2)c1 ZINC001361995473 937230041 /nfs/dbraw/zinc/23/00/41/937230041.db2.gz LSZGZJSHCATNBV-JTQLQIEISA-N -1 3 288.372 3.000 20 0 CGADHM Cc1cccc([O-])c1C(=O)NCc1ccc([C@H]2C[C@H]2C)o1 ZINC001441751816 937339325 /nfs/dbraw/zinc/33/93/25/937339325.db2.gz ZTSVQCQFGXIHMH-YPMHNXCESA-N -1 3 285.343 3.347 20 0 CGADHM CC(=O)c1ccc(C(=O)N(C)c2cc(C)cc(C)c2)cc1[O-] ZINC001441962667 937340776 /nfs/dbraw/zinc/34/07/76/937340776.db2.gz YBCVXSPXORRRDK-UHFFFAOYSA-N -1 3 297.354 3.488 20 0 CGADHM Cc1c(N)c(C(=O)Nc2cc(Cl)ccc2[O-])ccc1F ZINC001446514629 937363280 /nfs/dbraw/zinc/36/32/80/937363280.db2.gz ICWJVCFJUBPNLT-UHFFFAOYSA-N -1 3 294.713 3.328 20 0 CGADHM COc1ccc(C(=O)N[C@@H](C)C2CCCCCC2)c([O-])c1 ZINC001447511237 937369669 /nfs/dbraw/zinc/36/96/69/937369669.db2.gz YWPBYFWEABUKNX-LBPRGKRZSA-N -1 3 291.391 3.490 20 0 CGADHM C[C@H](NC(=O)Cc1ccc([O-])c(F)c1)c1ccsc1 ZINC001448441035 937375389 /nfs/dbraw/zinc/37/53/89/937375389.db2.gz VOWPCGUWFQWMFI-VIFPVBQESA-N -1 3 279.336 3.013 20 0 CGADHM CC(C)SCCNC(=O)c1ccc(C(C)C)cc1[O-] ZINC001449111129 937378162 /nfs/dbraw/zinc/37/81/62/937378162.db2.gz WJLWSBANYGIBCN-UHFFFAOYSA-N -1 3 281.421 3.387 20 0 CGADHM Cc1cccnc1[C@H](C)NC(=O)c1cc([O-])ccc1Cl ZINC001457132595 937439140 /nfs/dbraw/zinc/43/91/40/937439140.db2.gz FLKMQXYWAIYTFZ-JTQLQIEISA-N -1 3 290.750 3.240 20 0 CGADHM CC(C)(C)O[N-]C(=O)[C@@H]1[C@@H](c2ccccc2)C1(C)C ZINC001457721166 937445310 /nfs/dbraw/zinc/44/53/10/937445310.db2.gz CBPQBLRHLGIJEX-OLZOCXBDSA-N -1 3 261.365 3.273 20 0 CGADHM O=C(OCCCc1cccnc1)c1cccc(Cl)c1[O-] ZINC001124303726 931946538 /nfs/dbraw/zinc/94/65/38/931946538.db2.gz RYWSGOHBAGMMGO-UHFFFAOYSA-N -1 3 291.734 3.230 20 0 CGADHM CCOC(=O)[C@H](C)Oc1cc([O-])c(C(C)C)cc1C(C)=O ZINC001228959401 932060270 /nfs/dbraw/zinc/06/02/70/932060270.db2.gz YXZQWAILZYGVFX-NSHDSACASA-N -1 3 294.347 3.049 20 0 CGADHM C[C@@H](Oc1cc(O)cc([O-])c1Br)C1CCC1 ZINC001229101091 932094627 /nfs/dbraw/zinc/09/46/27/932094627.db2.gz XWMLMUXKEJLKFY-SSDOTTSWSA-N -1 3 287.153 3.428 20 0 CGADHM C[C@@H]1CC[C@@H](Oc2cc(O)cc([O-])c2Br)C1 ZINC001229100082 932094709 /nfs/dbraw/zinc/09/47/09/932094709.db2.gz OWDLXHFBRYPWSB-VXNVDRBHSA-N -1 3 287.153 3.428 20 0 CGADHM C[C@@H]1CC[C@H](Oc2cc(O)cc([O-])c2Br)C1 ZINC001229100079 932094864 /nfs/dbraw/zinc/09/48/64/932094864.db2.gz OWDLXHFBRYPWSB-APPZFPTMSA-N -1 3 287.153 3.428 20 0 CGADHM O=C1CCCC[C@H]1Oc1cccc([O-])c1Br ZINC001229141624 932103645 /nfs/dbraw/zinc/10/36/45/932103645.db2.gz LMGOQHXNOIIOBG-SNVBAGLBSA-N -1 3 285.137 3.045 20 0 CGADHM COc1cccc2nc(=O)[n-]c(O[C@@H]3CCCC[C@@H]3F)c21 ZINC001229240624 932121651 /nfs/dbraw/zinc/12/16/51/932121651.db2.gz XMQJEJJQXNYHOX-GXSJLCMTSA-N -1 3 292.310 3.004 20 0 CGADHM CCCOC[C@@H](C)Oc1nc(=S)[n-]c2sccc21 ZINC001229569481 932173420 /nfs/dbraw/zinc/17/34/20/932173420.db2.gz KDKATNRZZPSPDY-MRVPVSSYSA-N -1 3 284.406 3.174 20 0 CGADHM CCC(=O)[C@H](CC)Oc1nc(=S)[n-]c2sccc21 ZINC001229570083 932173802 /nfs/dbraw/zinc/17/38/02/932173802.db2.gz OKTLXQBYJCVPKH-VIFPVBQESA-N -1 3 282.390 3.117 20 0 CGADHM CCC[C@H](Oc1ccccc1-c1nnn[n-]1)[C@H](C)CC ZINC001229954798 932509340 /nfs/dbraw/zinc/50/93/40/932509340.db2.gz PNHGECZSCKBWGG-YPMHNXCESA-N -1 3 274.368 3.460 20 0 CGADHM CCC[C@H](Oc1ccccc1-c1nn[n-]n1)[C@H](C)CC ZINC001229954798 932509344 /nfs/dbraw/zinc/50/93/44/932509344.db2.gz PNHGECZSCKBWGG-YPMHNXCESA-N -1 3 274.368 3.460 20 0 CGADHM O=c1nc2cccc(Cl)c2c(OC[C@@H]2CCC=CO2)[n-]1 ZINC001230883778 932634513 /nfs/dbraw/zinc/63/45/13/932634513.db2.gz BFMHAXSUJRIBEX-VIFPVBQESA-N -1 3 292.722 3.060 20 0 CGADHM O=c1nc2cccc(Cl)c2c(OC2CCSCC2)[n-]1 ZINC001230887384 932636168 /nfs/dbraw/zinc/63/61/68/932636168.db2.gz ZJNGVXZSCIGLSJ-UHFFFAOYSA-N -1 3 296.779 3.263 20 0 CGADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)c1cccc(F)c1 ZINC001231073472 932673256 /nfs/dbraw/zinc/67/32/56/932673256.db2.gz LAYYTTPSMLMLIS-JTQLQIEISA-N -1 3 284.294 3.146 20 0 CGADHM CCc1ccc(C(=O)NCc2ccc(C)c(F)c2)c([O-])c1 ZINC001303966510 932837623 /nfs/dbraw/zinc/83/76/23/932837623.db2.gz CMSSSLOXVLAOSW-UHFFFAOYSA-N -1 3 287.334 3.332 20 0 CGADHM [O-]c1ccc(CN2CC[C@H]3CC[C@@H](C2)S3)c(F)c1F ZINC001308869494 933194369 /nfs/dbraw/zinc/19/43/69/933194369.db2.gz MQFMJDUCAJUUKL-MNOVXSKESA-N -1 3 285.359 3.140 20 0 CGADHM COc1cccc([C@@H](C)NC(=O)c2c(C)cccc2[O-])c1 ZINC001464058603 937685050 /nfs/dbraw/zinc/68/50/50/937685050.db2.gz VGGBRHVRGSAEAT-GFCCVEGCSA-N -1 3 285.343 3.200 20 0 CGADHM CSc1ccc([O-])c(C(=O)NC[C@H]2Cc3ccccc32)c1 ZINC001464322245 937689003 /nfs/dbraw/zinc/68/90/03/937689003.db2.gz ZHAFFAFPUVDQRC-GFCCVEGCSA-N -1 3 299.395 3.184 20 0 CGADHM CC1(C)CCCC[C@H]1CC(=O)Nc1ncccc1[O-] ZINC001466802857 937712563 /nfs/dbraw/zinc/71/25/63/937712563.db2.gz FGZHTBRYJSETKX-NSHDSACASA-N -1 3 262.353 3.332 20 0 CGADHM Cc1c2occ(CC(=O)[N-]OC(C)C)c2ccc1Cl ZINC001468462232 937728191 /nfs/dbraw/zinc/72/81/91/937728191.db2.gz ZAXMENGPZUZZCL-UHFFFAOYSA-N -1 3 281.739 3.393 20 0 CGADHM COC(=O)c1ccc(C(=O)[N-]c2c(F)cccc2Cl)o1 ZINC001320208456 934017723 /nfs/dbraw/zinc/01/77/23/934017723.db2.gz IFUXKEZGLXJJLX-UHFFFAOYSA-N -1 3 297.669 3.111 20 0 CGADHM CCc1ccc(C(=O)NC[C@@]2(C)CC2(C)C)c([O-])c1 ZINC001471619103 937767894 /nfs/dbraw/zinc/76/78/94/937767894.db2.gz HGDWPEHCNUIFLF-MRXNPFEDSA-N -1 3 261.365 3.121 20 0 CGADHM Cc1ccc(C(=O)NC2CC(Nc3ccccc3)C2)c([O-])c1 ZINC001471725522 937768765 /nfs/dbraw/zinc/76/87/65/937768765.db2.gz ZBYIYGQCCFVSQH-UHFFFAOYSA-N -1 3 296.370 3.074 20 0 CGADHM CSCC(C)(C)NC(=O)c1ccc(C(C)C)cc1[O-] ZINC001472255893 937774458 /nfs/dbraw/zinc/77/44/58/937774458.db2.gz QKKILAFVOUZQGQ-UHFFFAOYSA-N -1 3 281.421 3.387 20 0 CGADHM O=c1cc(CSCC(F)(F)C(F)F)nc(C2CC2)[n-]1 ZINC001325412447 934910160 /nfs/dbraw/zinc/91/01/60/934910160.db2.gz ATFAVKQWLZERGV-UHFFFAOYSA-N -1 3 296.289 3.193 20 0 CGADHM CC(C)=CCC[C@@H](C)NC(=O)c1nnc2ccccc2c1[O-] ZINC001326556628 934989335 /nfs/dbraw/zinc/98/93/35/934989335.db2.gz FDDFMPSWZTWHTG-GFCCVEGCSA-N -1 3 299.374 3.200 20 0 CGADHM CC(C)(NC(=O)c1ccccc1[O-])C1CCCCC1 ZINC001332710319 935484557 /nfs/dbraw/zinc/48/45/57/935484557.db2.gz QRGBKXCGVCGBIG-UHFFFAOYSA-N -1 3 261.365 3.481 20 0 CGADHM C[C@@H]1CC[C@@H](c2nc3cc(-c4ccccc4)oc3c(=O)[n-]2)O1 ZINC001336370925 936190955 /nfs/dbraw/zinc/19/09/55/936190955.db2.gz SUAXBALRVQNPMQ-MFKMUULPSA-N -1 3 296.326 3.423 20 0 CGADHM COc1ccc2cc(CNc3nc(C)cc(=O)[n-]3)ccc2c1 ZINC001336401968 936191499 /nfs/dbraw/zinc/19/14/99/936191499.db2.gz XQGGUDUDSVXOBA-UHFFFAOYSA-N -1 3 295.342 3.265 20 0 CGADHM Cc1cc(=O)[n-]c(N[C@@H](C)c2ccc(C(F)(F)F)nc2)n1 ZINC001336697391 936207569 /nfs/dbraw/zinc/20/75/69/936207569.db2.gz AZKAXGQGBBQZLX-QMMMGPOBSA-N -1 3 298.268 3.078 20 0 CGADHM COc1ccsc1C(=O)[N-]c1cnoc1C(C)C ZINC001514580534 938001930 /nfs/dbraw/zinc/00/19/30/938001930.db2.gz KEQAAEHDYFJDMH-UHFFFAOYSA-N -1 3 266.322 3.120 20 0 CGADHM O=C(O[C@@H]1CCCc2nccnc21)c1cc2ccsc2[n-]1 ZINC001525984293 938053156 /nfs/dbraw/zinc/05/31/56/938053156.db2.gz OYVXKYUCRWBKTQ-GFCCVEGCSA-N -1 3 299.355 3.254 20 0 CGADHM Cc1cnc(F)c(C(=O)[N-]c2c(F)cc(F)cc2F)c1 ZINC001531647521 938082686 /nfs/dbraw/zinc/08/26/86/938082686.db2.gz DHTBAGIACZYHRS-UHFFFAOYSA-N -1 3 284.212 3.199 20 0 CGADHM C[C@@H](C(=O)Nc1nnc(C(F)(F)F)[n-]1)[C@@H](C)C(C)(C)C ZINC001538229932 938116460 /nfs/dbraw/zinc/11/64/60/938116460.db2.gz NGWDUUPRBMMVTB-RNFRBKRXSA-N -1 3 292.305 3.080 20 0 CGADHM C[C@@H](C(=O)Nc1nc(C(F)(F)F)n[n-]1)[C@@H](C)C(C)(C)C ZINC001538229932 938116461 /nfs/dbraw/zinc/11/64/61/938116461.db2.gz NGWDUUPRBMMVTB-RNFRBKRXSA-N -1 3 292.305 3.080 20 0 CGADHM CSc1c(F)cccc1[N-]C(=O)c1ncoc1C ZINC001538802903 938120798 /nfs/dbraw/zinc/12/07/98/938120798.db2.gz ZNBVQKLLWLLFJB-UHFFFAOYSA-N -1 3 266.297 3.096 20 0 CGADHM CCc1ccc(C(=O)NCc2ccccc2F)c([O-])c1 ZINC001538875256 938121196 /nfs/dbraw/zinc/12/11/96/938121196.db2.gz QZFLHTMZDWPXMJ-UHFFFAOYSA-N -1 3 273.307 3.024 20 0 CGADHM CC(C)(C)OCCNC(=O)c1cc2sccc2c([O-])c1 ZINC001544227190 938143975 /nfs/dbraw/zinc/14/39/75/938143975.db2.gz DCSMNNWMXHYBSN-UHFFFAOYSA-N -1 3 293.388 3.152 20 0 CGADHM O=C([N-]c1cc(F)c(F)c(F)c1F)c1ncccc1F ZINC001544883420 938147591 /nfs/dbraw/zinc/14/75/91/938147591.db2.gz CTGQWHMCWUJNTG-UHFFFAOYSA-N -1 3 288.175 3.029 20 0 CGADHM O=C(Cc1cccc([O-])c1F)N1CCC[C@@H](C2CCC2)C1 ZINC001549491085 938157653 /nfs/dbraw/zinc/15/76/53/938157653.db2.gz KGEPKWMNMTVFLI-CQSZACIVSA-N -1 3 291.366 3.113 20 0 CGADHM CN(C(=O)Cc1ccc([O-])c(F)c1)c1ccc2cc[nH]c2c1 ZINC001556491397 938204035 /nfs/dbraw/zinc/20/40/35/938204035.db2.gz VLJKOBUYCXDNDS-UHFFFAOYSA-N -1 3 298.317 3.218 20 0 CGADHM Cc1ccc(C(=O)NC2(Cc3ccc(F)cc3)CC2)c([O-])c1 ZINC001556619354 938204753 /nfs/dbraw/zinc/20/47/53/938204753.db2.gz MDRGYCLOCRLLKU-UHFFFAOYSA-N -1 3 299.345 3.345 20 0 CGADHM Cc1cccc([O-])c1C(=O)NC1CC(C(C)(C)C)C1 ZINC001556801218 938205666 /nfs/dbraw/zinc/20/56/66/938205666.db2.gz ZYHAWDGSYXWNTN-UHFFFAOYSA-N -1 3 261.365 3.255 20 0 CGADHM CCCO[N-]C(=O)CCc1ccc(F)c2c1CCCC2 ZINC001557193359 938208388 /nfs/dbraw/zinc/20/83/88/938208388.db2.gz UUEXGCSUUWIRDS-UHFFFAOYSA-N -1 3 279.355 3.095 20 0 CGADHM COc1ccc(C(=O)NC[C@H]2C[C@H](C)C[C@H](C)C2)c([O-])c1 ZINC001557420114 938209871 /nfs/dbraw/zinc/20/98/71/938209871.db2.gz NZISEVICQSHPAT-ITGUQSILSA-N -1 3 291.391 3.203 20 0 CGADHM CSc1ccc([O-])c(C(=O)N[C@@H](C)C2(C)CC2)c1 ZINC001558670750 938216835 /nfs/dbraw/zinc/21/68/35/938216835.db2.gz YNIREARNJJNGHE-VIFPVBQESA-N -1 3 265.378 3.033 20 0 CGADHM Cc1ccc2oc(CNC(=O)c3c([O-])cccc3O)cc2c1 ZINC001559014571 938219131 /nfs/dbraw/zinc/21/91/31/938219131.db2.gz FFIPFDMZKCUULU-UHFFFAOYSA-N -1 3 297.310 3.082 20 0 CGADHM CN(Cc1ccc(F)cc1)Cc1cccc(C(=O)[O-])c1 ZINC000048875678 948905398 /nfs/dbraw/zinc/90/53/98/948905398.db2.gz HIFBAEKNOIKDGV-UHFFFAOYSA-N -1 3 273.307 3.156 20 0 CGADHM Cc1cccc([C@H](NCc2cccn2C(F)F)C(=O)[O-])c1 ZINC001594398197 958796990 /nfs/dbraw/zinc/79/69/90/958796990.db2.gz TWTNSCFFBVVUCB-ZDUSSCGKSA-N -1 3 294.301 3.107 20 0 CGADHM C[C@@H](NCc1ccsc1C(=O)[O-])c1ccc(F)cc1 ZINC000235225325 960401749 /nfs/dbraw/zinc/40/17/49/960401749.db2.gz YXQYRTIBRPNDLT-SECBINFHSA-N -1 3 279.336 3.436 20 0 CGADHM Cc1cccc([O-])c1C(=O)N[C@H]1C[C@@H](OC(C)C)C1(C)C ZINC001567322390 961279215 /nfs/dbraw/zinc/27/92/15/961279215.db2.gz CHGOSMJVAYMISB-UONOGXRCSA-N -1 3 291.391 3.023 20 0 CGADHM CC(C)c1coc(NC(=O)c2cc([O-])ccc2Cl)n1 ZINC001569318961 961733086 /nfs/dbraw/zinc/73/30/86/961733086.db2.gz FRZCHJRVHARRBT-UHFFFAOYSA-N -1 3 280.711 3.409 20 0 CGADHM CC(C)C[C@H](CNCc1nc(Cl)cs1)CC(=O)[O-] ZINC001573537018 962268062 /nfs/dbraw/zinc/26/80/62/962268062.db2.gz MNPWQJHCMQKMIM-VIFPVBQESA-N -1 3 290.816 3.023 20 0 CGADHM CCCC[C@H](CC)CNc1nccc(C)c1-c1nnn[n-]1 ZINC001577458959 962544058 /nfs/dbraw/zinc/54/40/58/962544058.db2.gz UBFBYKNJKPYNPG-LBPRGKRZSA-N -1 3 288.399 3.198 20 0 CGADHM CCCC[C@H](CC)CNc1nccc(C)c1-c1nn[n-]n1 ZINC001577458959 962544077 /nfs/dbraw/zinc/54/40/77/962544077.db2.gz UBFBYKNJKPYNPG-LBPRGKRZSA-N -1 3 288.399 3.198 20 0 CGADHM Nc1ccc(C(=O)Nc2cccc3ccc(O)cc32)c([O-])c1 ZINC001580443215 962723201 /nfs/dbraw/zinc/72/32/01/962723201.db2.gz WTYAJWZRMGGEKH-UHFFFAOYSA-N -1 3 294.310 3.086 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])[C@@H]1CNc2ccccc21 ZINC001580759751 962737214 /nfs/dbraw/zinc/73/72/14/962737214.db2.gz SBYJVUUBMBVTDQ-LLVKDONJSA-N -1 3 288.734 3.193 20 0 CGADHM Cc1cc(Cl)cc(-c2nnn[n-]2)c1O[C@@H]1C=CCCC1 ZINC001580928895 962749190 /nfs/dbraw/zinc/74/91/90/962749190.db2.gz DEFGJKBNXMFVRY-LLVKDONJSA-N -1 3 290.754 3.316 20 0 CGADHM Cc1cc(Cl)cc(-c2nn[n-]n2)c1O[C@@H]1C=CCCC1 ZINC001580928895 962749202 /nfs/dbraw/zinc/74/92/02/962749202.db2.gz DEFGJKBNXMFVRY-LLVKDONJSA-N -1 3 290.754 3.316 20 0 CGADHM C[C@@H](NCc1ccc(C(=O)[O-])cc1)c1cc2cnccc2o1 ZINC001589129291 963350197 /nfs/dbraw/zinc/35/01/97/963350197.db2.gz SKXPCYGBDLZZDP-LLVKDONJSA-N -1 3 296.326 3.377 20 0 CGADHM Cc1oc(-c2cccs2)nc1CNCCCCC(=O)[O-] ZINC001605454773 973539407 /nfs/dbraw/zinc/53/94/07/973539407.db2.gz KTXKOZHIIKAONL-UHFFFAOYSA-N -1 3 294.376 3.056 20 0 CGADHM O=C([O-])c1ccc(CNCc2coc3ccccc23)s1 ZINC001606494815 973977811 /nfs/dbraw/zinc/97/78/11/973977811.db2.gz DSZCAXCBEKVYSC-UHFFFAOYSA-N -1 3 287.340 3.482 20 0 CGADHM COc1ccsc1[C@@H](C)NCc1ccc(C(=O)[O-])cc1 ZINC001604900669 974164993 /nfs/dbraw/zinc/16/49/93/974164993.db2.gz SCUBCONFDIMDJY-SNVBAGLBSA-N -1 3 291.372 3.306 20 0 CGADHM CC[C@@H]1COC(C)(C)CN1Cc1ccc(C(=O)[O-])c(C)c1 ZINC001595498716 981261340 /nfs/dbraw/zinc/26/13/40/981261340.db2.gz YQJYZIGEOMWHSE-CQSZACIVSA-N -1 3 291.391 3.083 20 0 CGADHM CCCCO[C@H]1C[C@@H](NCc2occc2C(=O)[O-])C1(C)C ZINC001595771342 982520067 /nfs/dbraw/zinc/52/00/67/982520067.db2.gz YCLAWAYRBOCDNI-KGLIPLIRSA-N -1 3 295.379 3.051 20 0 CGADHM CC(C)(C)CCCCNCc1ncc(C(=O)[O-])s1 ZINC001589772033 988128833 /nfs/dbraw/zinc/12/88/33/988128833.db2.gz WLZIUKYQNWNAEP-UHFFFAOYSA-N -1 3 270.398 3.147 20 0 CGADHM CC(C)=CCC[C@@H](C)NCc1ncc(C(=O)[O-])s1 ZINC001590922251 990918294 /nfs/dbraw/zinc/91/82/94/990918294.db2.gz VONTVHZQXIGKHQ-SNVBAGLBSA-N -1 3 268.382 3.066 20 0 CGADHM CC(C)[C@H](NCc1c[nH]c(C(=O)[O-])c1)c1ccccc1F ZINC001591030158 991331288 /nfs/dbraw/zinc/33/12/88/991331288.db2.gz FFDQZGCIKVREBM-HNNXBMFYSA-N -1 3 290.338 3.339 20 0 CGADHM C[C@@H](N[C@H](C(=O)[O-])c1ccc(Cl)cc1)c1cccnc1 ZINC001593190974 994129992 /nfs/dbraw/zinc/12/99/92/994129992.db2.gz ZXXLDOSGHLJYRN-YGRLFVJLSA-N -1 3 290.750 3.212 20 0 CGADHM C[C@H](NCC1(CC(=O)[O-])CC1)c1nc(C(C)(C)C)cs1 ZINC001593250781 994488206 /nfs/dbraw/zinc/48/82/06/994488206.db2.gz WXCAOETZQCTXCX-JTQLQIEISA-N -1 3 296.436 3.346 20 0 CGADHM C[C@H](NC[C@@H]1C[C@H]1C1CCCC1)c1ncc(C(=O)[O-])s1 ZINC001593252545 994507636 /nfs/dbraw/zinc/50/76/36/994507636.db2.gz SMIHYYWAGZXHLQ-DLOVCJGASA-N -1 3 294.420 3.318 20 0 CGADHM C[C@H](c1ccccc1)[C@H](C)NCc1ncc(C(=O)[O-])s1 ZINC001593317607 994820239 /nfs/dbraw/zinc/82/02/39/994820239.db2.gz RIDKBDVYMCGZHH-QWRGUYRKSA-N -1 3 290.388 3.123 20 0 CGADHM C[C@H](Oc1ccccc1CN1CC(C)(C)C1(C)C)C(=O)[O-] ZINC001593644358 995960609 /nfs/dbraw/zinc/96/06/09/995960609.db2.gz ILWNNUSLIFOICW-LBPRGKRZSA-N -1 3 291.391 3.159 20 0 CGADHM C[C@H](c1ccc(F)c(F)c1)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001593692975 996141776 /nfs/dbraw/zinc/14/17/76/996141776.db2.gz IEWOCHHHEFJDQB-HOSYDEDBSA-N -1 3 283.318 3.068 20 0 CGADHM CO[C@H]1CCCN(Cc2cc(C(=O)[O-])ccc2Cl)CC1 ZINC001599116719 997666556 /nfs/dbraw/zinc/66/65/56/997666556.db2.gz LQQYBTBAPXLGKP-ZDUSSCGKSA-N -1 3 297.782 3.039 20 0 CGADHM C[C@]1(NCc2cncc(C(=O)[O-])c2)CCCc2ccccc21 ZINC001594060876 997841384 /nfs/dbraw/zinc/84/13/84/997841384.db2.gz XAMVVEOJCULFOE-SFHVURJKSA-N -1 3 296.370 3.121 20 0 CGADHM C[C@@H]1CCN(Cc2cc(C(=O)[O-])n(C)c2)[C@@H]2CCCC[C@H]12 ZINC001594423022 999577677 /nfs/dbraw/zinc/57/76/77/999577677.db2.gz LUOYEVJBQJSQJI-BPLDGKMQSA-N -1 3 290.407 3.124 20 0 CGADHM CSc1nnc(NC(=O)c2cc3sccc3s2)[n-]1 ZINC000589691339 346808400 /nfs/dbraw/zinc/80/84/00/346808400.db2.gz BQIILEKVFKKSHO-UHFFFAOYSA-N -1 3 296.402 3.055 20 0 CGADHM CC(C)(O)C1CCC(C(=O)Nc2cccc([O-])c2F)CC1 ZINC000651602298 398257503 /nfs/dbraw/zinc/25/75/03/398257503.db2.gz LEHJURDMWCHFAD-UHFFFAOYSA-N -1 3 295.354 3.047 20 0 CGADHM O=C(c1cc(F)c[n-]c1=O)N1CCC[C@H]1C1CCCCC1 ZINC000621664681 349554016 /nfs/dbraw/zinc/55/40/16/349554016.db2.gz CRVUNKUPQVBNRZ-AWEZNQCLSA-N -1 3 292.354 3.111 20 0 CGADHM C[C@H]1CC[C@H](C)N(C(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC000266489393 290628174 /nfs/dbraw/zinc/62/81/74/290628174.db2.gz RYGTVDYSTJKMJZ-RYUDHWBXSA-N -1 3 284.359 3.201 20 0 CGADHM C[C@H]1C[C@H](C)N1C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621984724 349617298 /nfs/dbraw/zinc/61/72/98/349617298.db2.gz GSMVZVJEAQVIBY-YUMQZZPRSA-N -1 3 273.254 3.034 20 0 CGADHM CC[C@@H](C)c1cc(C(=O)Nc2cc(F)ccc2[O-])on1 ZINC000178326224 529429399 /nfs/dbraw/zinc/42/93/99/529429399.db2.gz NHDZIFKGOLCXCQ-MRVPVSSYSA-N -1 3 278.283 3.285 20 0 CGADHM CC1CC(CNC(=O)c2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000622237987 349654890 /nfs/dbraw/zinc/65/48/90/349654890.db2.gz YPWMXZZAGLBIIY-UHFFFAOYSA-N -1 3 287.281 3.187 20 0 CGADHM Cc1ccccc1CN(C)C(=O)Cc1ccc([O-])c(F)c1 ZINC000622278335 349666949 /nfs/dbraw/zinc/66/69/49/349666949.db2.gz RYCKIVOXZMLLBE-UHFFFAOYSA-N -1 3 287.334 3.041 20 0 CGADHM Cc1ccc(C(=O)NC2(C)CCCCC2)c([O-])c1C ZINC000622324645 349672279 /nfs/dbraw/zinc/67/22/79/349672279.db2.gz YQELYEXIUYVHLE-UHFFFAOYSA-N -1 3 261.365 3.462 20 0 CGADHM CCCc1csc([N-]C(=O)c2nnc(C(C)C)s2)n1 ZINC000622476607 349682035 /nfs/dbraw/zinc/68/20/35/349682035.db2.gz SQDOQPINDCTYRK-UHFFFAOYSA-N -1 3 296.421 3.323 20 0 CGADHM CCCc1cnc(NC(=O)c2cccc(C)c2[O-])s1 ZINC000622487662 349683275 /nfs/dbraw/zinc/68/32/75/349683275.db2.gz NHGLQEIZQJHZNT-UHFFFAOYSA-N -1 3 276.361 3.362 20 0 CGADHM Cc1cccc(C(=O)Nc2ccccc2OCCF)c1[O-] ZINC000622629337 349691280 /nfs/dbraw/zinc/69/12/80/349691280.db2.gz JUBWQYFJOOWKAG-UHFFFAOYSA-N -1 3 289.306 3.301 20 0 CGADHM CCc1cc(C(=O)N2CCCC[C@H]2CC)ccc1[O-] ZINC000436868763 529512018 /nfs/dbraw/zinc/51/20/18/529512018.db2.gz JXDJQGXKBRHIDV-CQSZACIVSA-N -1 3 261.365 3.359 20 0 CGADHM CCc1cc(C(=O)N[C@@H]2C[C@@]2(F)c2ccccc2)ccc1[O-] ZINC000424987783 529519388 /nfs/dbraw/zinc/51/93/88/529519388.db2.gz DAIHUGCUSLHHGA-SJLPKXTDSA-N -1 3 299.345 3.322 20 0 CGADHM CC[C@@H](CSC)N(C)C(=O)c1ccc(C)c(C)c1[O-] ZINC000436813026 529527376 /nfs/dbraw/zinc/52/73/76/529527376.db2.gz GNIMWOISJWQIQL-LBPRGKRZSA-N -1 3 281.421 3.223 20 0 CGADHM CC[C@H](NC(=O)c1c[n-]c2ccccc2c1=O)C1CCCC1 ZINC000412404449 529556304 /nfs/dbraw/zinc/55/63/04/529556304.db2.gz SRVOBYQJGHBZCT-HNNXBMFYSA-N -1 3 298.386 3.227 20 0 CGADHM CCc1ccccc1CC(=O)N1CCCc2cccc([O-])c21 ZINC000189080795 529572565 /nfs/dbraw/zinc/57/25/65/529572565.db2.gz MHAUUJHPDVOFSJ-UHFFFAOYSA-N -1 3 295.382 3.477 20 0 CGADHM CCc1ccc(-c2nc([C@H]3CCOC[C@@H]3C)no2)c([O-])c1 ZINC000436880507 529577811 /nfs/dbraw/zinc/57/78/11/529577811.db2.gz KAOBKQIWLJWPPM-JQWIXIFHSA-N -1 3 288.347 3.145 20 0 CGADHM CCc1cc(=O)[n-]c(CN[C@H](C)c2c(C)cccc2C)n1 ZINC000355030945 529565220 /nfs/dbraw/zinc/56/52/20/529565220.db2.gz FEHDHAQJXFBGSV-CYBMUJFWSA-N -1 3 285.391 3.212 20 0 CGADHM CCc1ccc(C(=O)N[C@H](C2CC2)C(F)(F)F)c([O-])c1 ZINC000436746019 529608639 /nfs/dbraw/zinc/60/86/39/529608639.db2.gz CMAUNBSDPQKOLA-GFCCVEGCSA-N -1 3 287.281 3.025 20 0 CGADHM CCc1ccc(C(=O)Nc2ccc(OC)cc2)c([O-])c1 ZINC000436803963 529610140 /nfs/dbraw/zinc/61/01/40/529610140.db2.gz SVQQZOFVOMHOJX-UHFFFAOYSA-N -1 3 271.316 3.216 20 0 CGADHM CCc1ccc(C(=O)NCCCc2ccc(O)cc2)c([O-])c1 ZINC000436829393 529603406 /nfs/dbraw/zinc/60/34/06/529603406.db2.gz AETDGDVZKNJOBM-UHFFFAOYSA-N -1 3 299.370 3.023 20 0 CGADHM CCc1csc(NC(=O)c2cc([O-])ccc2Cl)n1 ZINC000336032695 529691123 /nfs/dbraw/zinc/69/11/23/529691123.db2.gz WVPMJPDUOCRTEK-UHFFFAOYSA-N -1 3 282.752 3.317 20 0 CGADHM CCC[C@@H](NC(=O)c1ccc(C)cc1[O-])c1ccccn1 ZINC000591673344 346932844 /nfs/dbraw/zinc/93/28/44/346932844.db2.gz SDWONOBUYZEAIF-OAHLLOKOSA-N -1 3 284.359 3.367 20 0 CGADHM CCc1ccc([O-])c(C(=O)N[C@H](C)Cc2cccs2)c1 ZINC000623475019 349816716 /nfs/dbraw/zinc/81/67/16/349816716.db2.gz FGRIXGFLRNJVQX-LLVKDONJSA-N -1 3 289.400 3.377 20 0 CGADHM CCc1nc(NC(=O)Cc2ccc([O-])c(F)c2)sc1C ZINC000448749498 529743262 /nfs/dbraw/zinc/74/32/62/529743262.db2.gz NZLQKBKSAQAZQU-UHFFFAOYSA-N -1 3 294.351 3.040 20 0 CGADHM CS[C@H](C)CCC(=O)N1CCCc2cccc([O-])c21 ZINC000352664999 136419939 /nfs/dbraw/zinc/41/99/39/136419939.db2.gz POLXEGDUCPIIDI-LLVKDONJSA-N -1 3 279.405 3.203 20 0 CGADHM Cc1ccc(OCCN(C)C(=O)c2c(C)cccc2[O-])cc1 ZINC000623586848 349841838 /nfs/dbraw/zinc/84/18/38/349841838.db2.gz RIILOUFIYWRXSN-UHFFFAOYSA-N -1 3 299.370 3.160 20 0 CGADHM CCC[C@H](C)NC(=O)c1cc([O-])cc(Br)c1 ZINC000623685406 349867137 /nfs/dbraw/zinc/86/71/37/349867137.db2.gz MPNQDBYFUMEFGI-QMMMGPOBSA-N -1 3 286.169 3.073 20 0 CGADHM CCN(CCSC)C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000592918433 347020964 /nfs/dbraw/zinc/02/09/64/347020964.db2.gz QAYUMCKDOTVWBW-UHFFFAOYSA-N -1 3 293.432 3.096 20 0 CGADHM Cc1ccc([O-])c(C(=O)N(C)Cc2ccc(F)cc2F)c1 ZINC000031025652 344924286 /nfs/dbraw/zinc/92/42/86/344924286.db2.gz DSRNZXVKBSOSIM-UHFFFAOYSA-N -1 3 291.297 3.251 20 0 CGADHM O=C(Nc1ccccc1[O-])[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC000029769669 344919616 /nfs/dbraw/zinc/91/96/16/344919616.db2.gz YZVGJVZNFPMYQT-CHWSQXEVSA-N -1 3 271.291 3.274 20 0 CGADHM O=C(Nc1ccccc1[O-])[C@H]1C[C@H]1c1ccc(F)cc1 ZINC000029769672 344919780 /nfs/dbraw/zinc/91/97/80/344919780.db2.gz YZVGJVZNFPMYQT-STQMWFEESA-N -1 3 271.291 3.274 20 0 CGADHM C[C@@H](CC[N-]S(=O)(=O)c1cccs1)c1ccccc1 ZINC000041341879 344968874 /nfs/dbraw/zinc/96/88/74/344968874.db2.gz FDKUZMJEAFMOLZ-LBPRGKRZSA-N -1 3 295.429 3.220 20 0 CGADHM C[C@@H]1[C@H](C)SCCN1Cc1cccc([O-])c1Cl ZINC000351622818 219149780 /nfs/dbraw/zinc/14/97/80/219149780.db2.gz FQPGUOQPWJAXSQ-ZJUUUORDSA-N -1 3 271.813 3.371 20 0 CGADHM CCC(=O)Nc1ccc(NC(=O)c2ccc(C)cc2[O-])cc1 ZINC000044790739 345016626 /nfs/dbraw/zinc/01/66/26/345016626.db2.gz OFHSGLZRDUVRTD-UHFFFAOYSA-N -1 3 298.342 3.301 20 0 CGADHM Cc1cc([N-]C(=O)c2nc(-c3ccccc3)oc2C)no1 ZINC000053759063 345124918 /nfs/dbraw/zinc/12/49/18/345124918.db2.gz QKFVEKFWBNEDAS-UHFFFAOYSA-N -1 3 283.287 3.199 20 0 CGADHM COc1ccc(C(C)(C)CNC(=O)c2ccccc2[O-])cc1 ZINC000063632055 345250941 /nfs/dbraw/zinc/25/09/41/345250941.db2.gz DIFILHDTPCNCPI-UHFFFAOYSA-N -1 3 299.370 3.108 20 0 CGADHM Cc1ccc(C(=O)N2CCC[C@@H](C(F)(F)F)C2)c([O-])c1 ZINC000060635990 345221711 /nfs/dbraw/zinc/22/17/11/345221711.db2.gz RZTUCCWRWFTWRC-SNVBAGLBSA-N -1 3 287.281 3.115 20 0 CGADHM Cc1ccc(F)c(NC(=O)c2c[n-]c3ccccc3c2=O)c1 ZINC000032804335 232171023 /nfs/dbraw/zinc/17/10/23/232171023.db2.gz YRVAPESOYQFWSV-UHFFFAOYSA-N -1 3 296.301 3.228 20 0 CGADHM Cc1ccc(F)c(NC(=O)c2cnc3ccccc3c2[O-])c1 ZINC000032804335 232171025 /nfs/dbraw/zinc/17/10/25/232171025.db2.gz YRVAPESOYQFWSV-UHFFFAOYSA-N -1 3 296.301 3.228 20 0 CGADHM Cc1ccc(C(=O)N(C)CCCOc2ccccc2)c([O-])c1 ZINC000075575368 345513729 /nfs/dbraw/zinc/51/37/29/345513729.db2.gz ARVNNECBXXYZFM-UHFFFAOYSA-N -1 3 299.370 3.242 20 0 CGADHM CC[C@@H](C)C[C@H](C)NC(=O)c1c[n-]c2ccccc2c1=O ZINC000080686983 345683634 /nfs/dbraw/zinc/68/36/34/345683634.db2.gz FTUIJRQWODMDEZ-NEPJUHHUSA-N -1 3 286.375 3.083 20 0 CGADHM COc1csc(C(=O)[N-]c2c(F)cc(F)cc2F)c1 ZINC000080942610 345689994 /nfs/dbraw/zinc/68/99/94/345689994.db2.gz DJEMWFNTQODZSN-UHFFFAOYSA-N -1 3 287.262 3.426 20 0 CGADHM CCc1cccc(C(=O)N[C@H](C)c2ncc(C)s2)c1[O-] ZINC000081808660 345718462 /nfs/dbraw/zinc/71/84/62/345718462.db2.gz CWOKLPYJSJHCIA-SNVBAGLBSA-N -1 3 290.388 3.211 20 0 CGADHM COc1cccc(CN(C)[C@H](C)c2ccc(C(=O)[O-])o2)c1 ZINC000091780966 345823208 /nfs/dbraw/zinc/82/32/08/345823208.db2.gz SMYIGDPFXBJBSP-LLVKDONJSA-N -1 3 289.331 3.179 20 0 CGADHM COc1cc(C)cc(C(=O)N2CCc3cc(C)ccc32)c1[O-] ZINC000091104134 345805099 /nfs/dbraw/zinc/80/50/99/345805099.db2.gz VSXRCWMELLMAQB-UHFFFAOYSA-N -1 3 297.354 3.221 20 0 CGADHM CCc1cccc(C(=O)N2CCc3cccc(C)c32)c1[O-] ZINC000092227585 345833321 /nfs/dbraw/zinc/83/33/21/345833321.db2.gz BGCXAGVXJLXZSW-UHFFFAOYSA-N -1 3 281.355 3.466 20 0 CGADHM CC(C)COc1ccccc1[N-]S(=O)(=O)CCC1CC1 ZINC000092264548 345833596 /nfs/dbraw/zinc/83/35/96/345833596.db2.gz HIOANFIZTRACJX-UHFFFAOYSA-N -1 3 297.420 3.263 20 0 CGADHM O=C([O-])CN(Cc1cc(F)ccc1Cl)C1CCCC1 ZINC000124448964 346011952 /nfs/dbraw/zinc/01/19/52/346011952.db2.gz VFWVCRMJUHZLMM-UHFFFAOYSA-N -1 3 285.746 3.308 20 0 CGADHM Cc1ccc2c(c1)CC[C@@H](C(=O)Nc1ccccc1[O-])O2 ZINC000137750987 346094589 /nfs/dbraw/zinc/09/45/89/346094589.db2.gz ZKWYJIUNEKLEMF-INIZCTEOSA-N -1 3 283.327 3.033 20 0 CGADHM O=C(Nc1ncccc1[O-])[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000149466616 346131118 /nfs/dbraw/zinc/13/11/18/346131118.db2.gz LWSNBJAXUIEJCS-NWDGAFQWSA-N -1 3 288.734 3.183 20 0 CGADHM O=C(Nc1ccccc1[O-])c1cnc(-c2ccco2)s1 ZINC000170892202 346200048 /nfs/dbraw/zinc/20/00/48/346200048.db2.gz CXBCKVRTAFFZNB-UHFFFAOYSA-N -1 3 286.312 3.361 20 0 CGADHM CC(C)[C@]1(C(=O)[O-])CCN(Cc2c(F)cccc2Cl)C1 ZINC000232746228 346327012 /nfs/dbraw/zinc/32/70/12/346327012.db2.gz DSXSMBHMIBKQBL-HNNXBMFYSA-N -1 3 299.773 3.412 20 0 CGADHM C[C@H]1CCN(Cc2ccc(F)cc2Cl)[C@@H](C(=O)[O-])C1 ZINC000229307263 346316888 /nfs/dbraw/zinc/31/68/88/346316888.db2.gz YRPMPVOKKVAZCC-TVQRCGJNSA-N -1 3 285.746 3.164 20 0 CGADHM C[C@@H]1CN(C(=O)c2cc([O-])ccc2Cl)C[C@H](C)S1 ZINC000235674734 346336770 /nfs/dbraw/zinc/33/67/70/346336770.db2.gz SXLMOWDWRFLGLO-DTORHVGOSA-N -1 3 285.796 3.012 20 0 CGADHM CC[C@]1(C)CCCN([C@H](C)c2nc(C)cc(=O)[n-]2)C1 ZINC000248763719 346378829 /nfs/dbraw/zinc/37/88/29/346378829.db2.gz RGZMKWPYLWIZTK-IUODEOHRSA-N -1 3 263.385 3.064 20 0 CGADHM c1cc(-c2nc(-c3ccc4n[n-]nc4c3)no2)c(C2CC2)o1 ZINC000350533036 346523690 /nfs/dbraw/zinc/52/36/90/346523690.db2.gz PWYIPZYWRBIFCR-UHFFFAOYSA-N -1 3 293.286 3.145 20 0 CGADHM Cc1ccc([O-])c(C(=O)N[C@@H](C2CC2)C2CCC2)c1 ZINC000325302102 346491690 /nfs/dbraw/zinc/49/16/90/346491690.db2.gz QBEHBFZCZIXGPU-OAHLLOKOSA-N -1 3 259.349 3.009 20 0 CGADHM O=c1cc(-c2noc(C(F)=CC3CCCCC3)n2)nc[n-]1 ZINC000351378552 346537649 /nfs/dbraw/zinc/53/76/49/346537649.db2.gz VMKYINAIXAPGKF-POHAHGRESA-N -1 3 290.298 3.123 20 0 CGADHM Cc1cc(N2CCC3(C[C@@H]3C(=O)[O-])CC2)c2ccccc2n1 ZINC000405458250 346603546 /nfs/dbraw/zinc/60/35/46/346603546.db2.gz UXCJZOTUKVRNSW-CQSZACIVSA-N -1 3 296.370 3.234 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CC(C)(CC(F)(F)F)C2)c1 ZINC000335571857 212282624 /nfs/dbraw/zinc/28/26/24/212282624.db2.gz RTTOXLLXRQJZBX-UHFFFAOYSA-N -1 3 287.281 3.115 20 0 CGADHM CS[C@H](C)CC(=O)Nc1ccc([O-])cc1Cl ZINC000597857040 347595795 /nfs/dbraw/zinc/59/57/95/347595795.db2.gz JUYSNUTVIUWBIX-SSDOTTSWSA-N -1 3 259.758 3.126 20 0 CGADHM COC(=O)c1cccc(NC(=O)c2cc(C)ccc2[O-])c1C ZINC000603477840 348086153 /nfs/dbraw/zinc/08/61/53/348086153.db2.gz JUBBHPMIJCHUHL-UHFFFAOYSA-N -1 3 299.326 3.048 20 0 CGADHM Cc1ccc(CC(=O)NCc2ccc([O-])c(F)c2)cc1C ZINC000606536933 348190196 /nfs/dbraw/zinc/19/01/96/348190196.db2.gz FXJPSBYYWCNEBS-UHFFFAOYSA-N -1 3 287.334 3.007 20 0 CGADHM CCc1ccc([C@@H](C)CC(=O)Nc2ncccc2[O-])cc1 ZINC000606530306 348190324 /nfs/dbraw/zinc/19/03/24/348190324.db2.gz NODRHLLZMUFBCV-LBPRGKRZSA-N -1 3 284.359 3.482 20 0 CGADHM CCOC(=O)c1ccc(NC(=O)CC(C)(C)CC)c([O-])c1 ZINC000610413845 348382401 /nfs/dbraw/zinc/38/24/01/348382401.db2.gz YXPCTKGTHGAAND-UHFFFAOYSA-N -1 3 293.363 3.334 20 0 CGADHM [O-]c1c(-c2nc(C3CC3)no2)ccc2c1CCCC2 ZINC000273403196 192139222 /nfs/dbraw/zinc/13/92/22/192139222.db2.gz KYMSHGRXXVONPW-UHFFFAOYSA-N -1 3 256.305 3.198 20 0 CGADHM Cc1cc(C(=O)NCc2c(F)cc(F)cc2F)ccc1[O-] ZINC000357986646 233033731 /nfs/dbraw/zinc/03/37/31/233033731.db2.gz JVAYJWNDLVYEMC-UHFFFAOYSA-N -1 3 295.260 3.048 20 0 CGADHM CSc1ccc([O-])c(C(=O)N2CCC3(CCC3)C2)c1 ZINC000612317234 348509646 /nfs/dbraw/zinc/50/96/46/348509646.db2.gz HYQRYQFRRCFEFQ-UHFFFAOYSA-N -1 3 277.389 3.130 20 0 CGADHM CSc1ccc([O-])c(C(=O)N2CC[C@@H](C)[C@@H](C)C2)c1 ZINC000613157415 348569213 /nfs/dbraw/zinc/56/92/13/348569213.db2.gz BRYIMMYNDBEPIZ-MNOVXSKESA-N -1 3 279.405 3.232 20 0 CGADHM C[C@@H]1CCC[C@@H]1CC(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000615138292 348717509 /nfs/dbraw/zinc/71/75/09/348717509.db2.gz XQHLDMIUOSHTEA-NXEZZACHSA-N -1 3 273.336 3.033 20 0 CGADHM CC[C@H](C)[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000614598505 348685508 /nfs/dbraw/zinc/68/55/08/348685508.db2.gz JGHCKIGGBLUQNB-QMMMGPOBSA-N -1 3 296.219 3.379 20 0 CGADHM CC[C@H]1CCC[C@@H]1C(=O)NCc1ccc([O-])c2ncccc12 ZINC000616022446 348782621 /nfs/dbraw/zinc/78/26/21/348782621.db2.gz GPKLDBJCLXXLHO-WFASDCNBSA-N -1 3 298.386 3.383 20 0 CGADHM CCc1cc(C(=O)Nc2cc([C@@H]3C[C@H]3C)[nH]n2)ccc1[O-] ZINC000616438134 348820349 /nfs/dbraw/zinc/82/03/49/348820349.db2.gz FPVWGURHSSVQLM-BXKDBHETSA-N -1 3 285.347 3.053 20 0 CGADHM CCC[C@@H]1C[C@H]1C(=O)Nc1ccc([O-])cc1Cl ZINC000616940405 348885121 /nfs/dbraw/zinc/88/51/21/348885121.db2.gz ZMICPYQGRCWSGA-PSASIEDQSA-N -1 3 253.729 3.420 20 0 CGADHM CC(C)Cn1cc(C(=O)Nc2ccc([O-])cc2Cl)cn1 ZINC000616941066 348885196 /nfs/dbraw/zinc/88/51/96/348885196.db2.gz PVYBLJPAJAHYSS-UHFFFAOYSA-N -1 3 293.754 3.150 20 0 CGADHM O=C(Nc1ccc([O-])cc1Cl)C1CC2(CC2)C1 ZINC000616943165 348885452 /nfs/dbraw/zinc/88/54/52/348885452.db2.gz QWAJFMLWAKNPSS-UHFFFAOYSA-N -1 3 251.713 3.174 20 0 CGADHM CO[C@@H](CC(C)C)C(=O)Nc1ccc([O-])cc1Cl ZINC000616942756 348885544 /nfs/dbraw/zinc/88/55/44/348885544.db2.gz BPKHYZPEXTXWNF-LBPRGKRZSA-N -1 3 271.744 3.045 20 0 CGADHM C[C@]1(C(=O)Nc2ccc([O-])cc2Cl)CC1(F)F ZINC000616942728 348885585 /nfs/dbraw/zinc/88/55/85/348885585.db2.gz AITDRQHYUPRVPQ-SNVBAGLBSA-N -1 3 261.655 3.029 20 0 CGADHM Cc1ccoc1C(=O)[N-]c1nnc(CCC(C)C)s1 ZINC000617097906 348917399 /nfs/dbraw/zinc/91/73/99/348917399.db2.gz IAKPUAAUYYBPMD-UHFFFAOYSA-N -1 3 279.365 3.280 20 0 CGADHM CC(C)CCc1nnc(NC(=O)c2cccc([O-])c2)s1 ZINC000617098659 348917420 /nfs/dbraw/zinc/91/74/20/348917420.db2.gz GGUHRBSYEHLBDP-UHFFFAOYSA-N -1 3 291.376 3.085 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CC[C@@H]3CCCC[C@@H]3C2)o1 ZINC000358461317 233136335 /nfs/dbraw/zinc/13/63/35/233136335.db2.gz DKCPQAYYJGLZII-BFHYXJOUSA-N -1 3 297.420 3.225 20 0 CGADHM COc1ccc([O-])c(C(=O)N2CCC(C3CCC3)CC2)c1 ZINC000617774196 349006593 /nfs/dbraw/zinc/00/65/93/349006593.db2.gz SEQXUWMGODZAIL-UHFFFAOYSA-N -1 3 289.375 3.053 20 0 CGADHM CSc1ccc([O-])c(C(=O)N2CCC[C@H](CCF)C2)c1 ZINC000618683849 349141689 /nfs/dbraw/zinc/14/16/89/349141689.db2.gz NKYLCGPWEVORJF-LLVKDONJSA-N -1 3 297.395 3.326 20 0 CGADHM O=c1cc(C=Cc2ccccc2F)nc(-c2ccncc2)[n-]1 ZINC000352021300 219292345 /nfs/dbraw/zinc/29/23/45/219292345.db2.gz OOLFPSADPKTPOY-WAYWQWQTSA-N -1 3 293.301 3.141 20 0 CGADHM O=c1cc(C=Cc2cccc(F)c2)nc(C2CC2)[n-]1 ZINC000352028780 219293740 /nfs/dbraw/zinc/29/37/40/219293740.db2.gz WEJCBKHMGOPVAU-QPJJXVBHSA-N -1 3 256.280 3.369 20 0 CGADHM COc1cccc(C=Cc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000352028397 219295524 /nfs/dbraw/zinc/29/55/24/219295524.db2.gz TVAQHPMWYBSSKK-YVMONPNESA-N -1 3 268.316 3.239 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)N[C@@H]1CC[C@@H]1c1ccccc1 ZINC000619212438 349222085 /nfs/dbraw/zinc/22/20/85/349222085.db2.gz SELPYUZNUIRLPP-GDBMZVCRSA-N -1 3 299.345 3.136 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2nc3ccc(F)cc3s2)n1 ZINC000352034471 219297179 /nfs/dbraw/zinc/29/71/79/219297179.db2.gz CBNPIRXRCHAUTG-SNAWJCMRSA-N -1 3 287.319 3.410 20 0 CGADHM C[C@H](CNC(=O)c1cc2c(cc1[O-])CCCC2)C1CC1 ZINC000620396362 349369655 /nfs/dbraw/zinc/36/96/55/349369655.db2.gz RRCIWRLLWCIUKS-LLVKDONJSA-N -1 3 273.376 3.047 20 0 CGADHM CC1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc([O-])ccc1Cl ZINC000620429748 349370710 /nfs/dbraw/zinc/37/07/10/349370710.db2.gz WLLYHGDIMHPFLO-FGWVZKOKSA-N -1 3 279.767 3.449 20 0 CGADHM O=C(c1cccc2[n-]nnc21)N1CCCC[C@H]1CC1CCC1 ZINC000620569331 349385842 /nfs/dbraw/zinc/38/58/42/349385842.db2.gz UPUMMZPPTUMQJO-ZDUSSCGKSA-N -1 3 298.390 3.143 20 0 CGADHM O=C(c1cccc2nn[n-]c21)N1CCCC[C@H]1CC1CCC1 ZINC000620569331 349385843 /nfs/dbraw/zinc/38/58/43/349385843.db2.gz UPUMMZPPTUMQJO-ZDUSSCGKSA-N -1 3 298.390 3.143 20 0 CGADHM O=C(c1cccc2n[n-]nc21)N1CCCC[C@H]1CC1CCC1 ZINC000620569331 349385844 /nfs/dbraw/zinc/38/58/44/349385844.db2.gz UPUMMZPPTUMQJO-ZDUSSCGKSA-N -1 3 298.390 3.143 20 0 CGADHM O=C(c1ccc2n[n-]nc2c1)N1CCCC[C@@H]1CC1CCC1 ZINC000620573473 349387267 /nfs/dbraw/zinc/38/72/67/349387267.db2.gz LGGVFSJHYXDQKU-CQSZACIVSA-N -1 3 298.390 3.143 20 0 CGADHM Cc1cccc([O-])c1C(=O)Nc1nnc(C(C)(C)C)s1 ZINC000624516876 350056485 /nfs/dbraw/zinc/05/64/85/350056485.db2.gz SBBAZWPSWSTEAT-UHFFFAOYSA-N -1 3 291.376 3.102 20 0 CGADHM C/C(=C/c1ccccc1)CN(C)C(=O)c1csc(=O)[n-]1 ZINC000352066339 219307947 /nfs/dbraw/zinc/30/79/47/219307947.db2.gz XJFWZNJJNNHTSR-FLIBITNWSA-N -1 3 288.372 3.024 20 0 CGADHM C[C@H]1N(Cc2cc([O-])ccc2Cl)CCOC1(C)C ZINC000625222045 350144093 /nfs/dbraw/zinc/14/40/93/350144093.db2.gz NEUILOPRKQBYHY-SNVBAGLBSA-N -1 3 269.772 3.045 20 0 CGADHM [O-]c1ccc(Cl)c(CN2CCc3ncsc3C2)c1 ZINC000625361562 350163108 /nfs/dbraw/zinc/16/31/08/350163108.db2.gz LMGBIXWXROYRAB-UHFFFAOYSA-N -1 3 280.780 3.060 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CC[C@@H](c2ccccc2F)C1 ZINC000625352743 350163276 /nfs/dbraw/zinc/16/32/76/350163276.db2.gz PBVFTKLBNXFUCT-CYBMUJFWSA-N -1 3 299.345 3.469 20 0 CGADHM CCc1nc([C@H](C)NC(=O)c2c(C)cccc2[O-])cs1 ZINC000625486167 350177767 /nfs/dbraw/zinc/17/77/67/350177767.db2.gz AFYLAFPQVVNKRE-JTQLQIEISA-N -1 3 290.388 3.211 20 0 CGADHM CSc1ccc(CN2CC[C@H](C(=O)[O-])[C@@H](C)C2)s1 ZINC000625970445 350238132 /nfs/dbraw/zinc/23/81/32/350238132.db2.gz QUSRJJPNSDBZRU-ONGXEEELSA-N -1 3 285.434 3.013 20 0 CGADHM Cc1nnc([N-]c2cn(CC(C)C)nc2C(F)F)nc1C ZINC000359780586 233375988 /nfs/dbraw/zinc/37/59/88/233375988.db2.gz CBXJCGCBBFUICU-UHFFFAOYSA-N -1 3 296.325 3.022 20 0 CGADHM CCO[C@H](C(=O)Nc1ccc(Cl)cc1[O-])C(C)C ZINC000626277847 350291050 /nfs/dbraw/zinc/29/10/50/350291050.db2.gz SPINDYSAHDEOEJ-LBPRGKRZSA-N -1 3 271.744 3.045 20 0 CGADHM Cc1csc(N(C)C(=O)c2ccc(C)c(C)c2[O-])n1 ZINC000271361628 191097096 /nfs/dbraw/zinc/09/70/96/191097096.db2.gz YKLPYPYFFHRHDW-UHFFFAOYSA-N -1 3 276.361 3.051 20 0 CGADHM CC(=O)c1cccc(NC(=O)C[C@H](C)C(F)(F)F)c1[O-] ZINC000627276426 350355328 /nfs/dbraw/zinc/35/53/28/350355328.db2.gz DWGPJRPJZIKFAS-ZETCQYMHSA-N -1 3 289.253 3.122 20 0 CGADHM Cc1cccc([O-])c1C(=O)NC[C@H](C)CC(F)(F)F ZINC000627751692 350379781 /nfs/dbraw/zinc/37/97/81/350379781.db2.gz FHOZLUNGZCMIQV-MRVPVSSYSA-N -1 3 275.270 3.019 20 0 CGADHM COc1ccc(C(=O)N2CC[C@H](C)C3(CCC3)C2)c([O-])c1 ZINC000271375059 191105432 /nfs/dbraw/zinc/10/54/32/191105432.db2.gz QIGRJCLGTJXSEZ-LBPRGKRZSA-N -1 3 289.375 3.053 20 0 CGADHM CC(C)Oc1ccc(CN2CCC[C@H]2C(=O)[O-])cc1Cl ZINC000107276482 186166135 /nfs/dbraw/zinc/16/61/35/186166135.db2.gz YOYPEBSXOBKNDO-ZDUSSCGKSA-N -1 3 297.782 3.176 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2C[C@@H](C)C(F)(F)[C@@H](C)C2)c1 ZINC000628397254 350525882 /nfs/dbraw/zinc/52/58/82/350525882.db2.gz XCQVDVPFNLTTRS-PHIMTYICSA-N -1 3 297.345 3.318 20 0 CGADHM CC1(C)CC(CN2Cc3ccccc3[C@@H](C(=O)[O-])C2)C1 ZINC000629360422 350677101 /nfs/dbraw/zinc/67/71/01/350677101.db2.gz RAKLMVGIKHTVKD-HNNXBMFYSA-N -1 3 273.376 3.107 20 0 CGADHM O=C([O-])[C@@H]1CCN(Cc2ccc(Cl)s2)[C@H]2CCC[C@@H]21 ZINC000629373959 350682406 /nfs/dbraw/zinc/68/24/06/350682406.db2.gz QRVCIFSWPDWBLA-UTUOFQBUSA-N -1 3 299.823 3.477 20 0 CGADHM Cc1ccc(C(=O)N2CCCC3(CC3)CC2)c([O-])c1 ZINC000629645471 350728125 /nfs/dbraw/zinc/72/81/25/350728125.db2.gz RSOJGBBLRCMIDN-UHFFFAOYSA-N -1 3 259.349 3.107 20 0 CGADHM O=c1nc(-c2cncnc2)[n-]c2sc3c(c21)CCCCC3 ZINC000630385789 350831199 /nfs/dbraw/zinc/83/11/99/350831199.db2.gz SLACRXGXYRYOCB-UHFFFAOYSA-N -1 3 298.371 3.123 20 0 CGADHM CCc1cnc(CNC[C@@H](CC(=O)[O-])C2CCCC2)s1 ZINC000630471288 350846280 /nfs/dbraw/zinc/84/62/80/350846280.db2.gz BYLKOBQZPGMLJA-GFCCVEGCSA-N -1 3 296.436 3.076 20 0 CGADHM CC[C@@H](C)Cc1noc(-c2cc(OC)ccc2[O-])n1 ZINC000632247749 351184681 /nfs/dbraw/zinc/18/46/81/351184681.db2.gz AHTLQAOKHVVQGU-SECBINFHSA-N -1 3 262.309 3.039 20 0 CGADHM CCc1cc(C(=O)Nc2ccnn2CC2CCC2)ccc1[O-] ZINC000634467965 351493484 /nfs/dbraw/zinc/49/34/84/351493484.db2.gz ATSMJXZRTJKMJV-UHFFFAOYSA-N -1 3 299.374 3.204 20 0 CGADHM Cc1c2occ([O-])c2ccc1OCCCC1CCOCC1 ZINC000634560766 351514597 /nfs/dbraw/zinc/51/45/97/351514597.db2.gz XKOSKGONCIPJJU-UHFFFAOYSA-N -1 3 290.359 3.156 20 0 CGADHM CCc1c(=O)n(C[C@H]2CCSC2)[n-]c1-c1ccccc1 ZINC000634628646 351551808 /nfs/dbraw/zinc/55/18/08/351551808.db2.gz CDYUMXZTCASBTH-OCCSQVGLSA-N -1 3 288.416 3.012 20 0 CGADHM C[C@H]1CCc2[n-]n(Cc3cccc(Cl)c3)c(=O)c21 ZINC000634605024 351538390 /nfs/dbraw/zinc/53/83/90/351538390.db2.gz YUOKOJJZLUKDSP-TVQRCGJNSA-N -1 3 262.740 3.084 20 0 CGADHM Cn1nc(C(=O)[O-])cc1CN(CC(C)(C)C)CC(C)(C)C ZINC000635312732 351649856 /nfs/dbraw/zinc/64/98/56/351649856.db2.gz OGZQQSMHJSRLIO-UHFFFAOYSA-N -1 3 295.427 3.013 20 0 CGADHM O=C([O-])C1CCC(N[C@H](CF)c2ccc(F)cc2)CC1 ZINC000635328514 351650719 /nfs/dbraw/zinc/65/07/19/351650719.db2.gz PBVOIQQXKRCMHK-UXUKBGGZSA-N -1 3 283.318 3.069 20 0 CGADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)CCCC(C)(C)C)n1 ZINC000636113126 351722889 /nfs/dbraw/zinc/72/28/89/351722889.db2.gz CXZWLKSYNHSZJB-UHFFFAOYSA-N -1 3 293.411 3.058 20 0 CGADHM O=C(Nc1ccc([O-])cc1Cl)[C@@H]1CCN1C1CCCC1 ZINC000636170605 351727134 /nfs/dbraw/zinc/72/71/34/351727134.db2.gz RMSCQJYVQCBUEJ-AWEZNQCLSA-N -1 3 294.782 3.001 20 0 CGADHM Cc1ccc([O-])c(CN(C)[C@H](C)c2ccc(F)cc2)n1 ZINC000122176038 187019403 /nfs/dbraw/zinc/01/94/03/187019403.db2.gz XZLMFTWOPOOOGY-GFCCVEGCSA-N -1 3 274.339 3.428 20 0 CGADHM O=C(Cc1cnccc1Cl)Nc1cc(Cl)ccc1[O-] ZINC000336490917 213365087 /nfs/dbraw/zinc/36/50/87/213365087.db2.gz XQWQVEWCIIQGPH-UHFFFAOYSA-N -1 3 297.141 3.275 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)Nc1cc(F)cc(F)c1 ZINC000291767461 198085880 /nfs/dbraw/zinc/08/58/80/198085880.db2.gz MGLMEFDNKVHTIU-MRVPVSSYSA-N -1 3 258.268 3.064 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)/C=C/SCc1ccco1 ZINC000292093554 198159807 /nfs/dbraw/zinc/15/98/07/198159807.db2.gz FSZALNHNOGIFRM-LXSSAFMLSA-N -1 3 269.366 3.120 20 0 CGADHM CCc1cc(C(=O)Nc2ccc(C)nc2C)ccc1[O-] ZINC000292187547 198194538 /nfs/dbraw/zinc/19/45/38/198194538.db2.gz OOZAJXZWDAMMGW-UHFFFAOYSA-N -1 3 270.332 3.219 20 0 CGADHM Cc1ccc([C@H]2CCN(C(=O)c3ccc(O)cc3[O-])C2)cc1 ZINC000368176771 234290713 /nfs/dbraw/zinc/29/07/13/234290713.db2.gz ZHENTOQCIRFFRZ-AWEZNQCLSA-N -1 3 297.354 3.036 20 0 CGADHM COCCC1(C(=O)Nc2ccc(Cl)cc2[O-])CCC1 ZINC000153718485 188098708 /nfs/dbraw/zinc/09/87/08/188098708.db2.gz JHPDCMPGPICGJM-UHFFFAOYSA-N -1 3 283.755 3.191 20 0 CGADHM CC(C)CO[N-]C(=O)/C=C/c1cnc(C(C)(C)C)s1 ZINC000153500700 188086699 /nfs/dbraw/zinc/08/66/99/188086699.db2.gz LPHXMMIOYOJFDD-VOTSOKGWSA-N -1 3 282.409 3.158 20 0 CGADHM COc1ccccc1[C@H](C)[N-]c1nnc(C(F)F)o1 ZINC000292422528 198282816 /nfs/dbraw/zinc/28/28/16/198282816.db2.gz FSUDBXFVOYDRMH-ZETCQYMHSA-N -1 3 269.251 3.189 20 0 CGADHM Cc1ccc([C@H](C)[N-]c2nnc(C(F)F)o2)cc1 ZINC000292448835 198292793 /nfs/dbraw/zinc/29/27/93/198292793.db2.gz IMXHIPMEWYWENZ-QMMMGPOBSA-N -1 3 253.252 3.489 20 0 CGADHM Cc1c(F)cccc1NC([O-])=NOCCC(F)(F)F ZINC000157531662 188323303 /nfs/dbraw/zinc/32/33/03/188323303.db2.gz KIBAHYNYZGBEEE-UHFFFAOYSA-N -1 3 280.221 3.140 20 0 CGADHM Cc1c(F)cccc1NC(=O)[N-]OCCC(F)(F)F ZINC000157531662 188323304 /nfs/dbraw/zinc/32/33/04/188323304.db2.gz KIBAHYNYZGBEEE-UHFFFAOYSA-N -1 3 280.221 3.140 20 0 CGADHM O=C([N-]OCC1CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000292679472 198372386 /nfs/dbraw/zinc/37/23/86/198372386.db2.gz MTZLIPJWFSGENW-UHFFFAOYSA-N -1 3 275.135 3.457 20 0 CGADHM O=S(=O)([N-]c1ccsc1Cl)c1ccccc1 ZINC000336424739 213283966 /nfs/dbraw/zinc/28/39/66/213283966.db2.gz FBKULEBZQGLXSW-UHFFFAOYSA-N -1 3 273.766 3.202 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])c1cc(C2CC2)no1 ZINC000336406241 213264471 /nfs/dbraw/zinc/26/44/71/213264471.db2.gz VPEHCBHXOWUSGT-UHFFFAOYSA-N -1 3 278.695 3.163 20 0 CGADHM O=C(CCc1ccc(Cl)cc1)[N-]OCCC(F)(F)F ZINC000162866566 188593406 /nfs/dbraw/zinc/59/34/06/188593406.db2.gz OAFLGSCDCBAHOM-UHFFFAOYSA-N -1 3 295.688 3.273 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CCCC[C@@H]2c2cccn2C)c1 ZINC000173549986 188858971 /nfs/dbraw/zinc/85/89/71/188858971.db2.gz WXNHLYYUYYHERY-MRXNPFEDSA-N -1 3 298.386 3.407 20 0 CGADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CC(CF)C1 ZINC000412516046 235180803 /nfs/dbraw/zinc/18/08/03/235180803.db2.gz BHGZXHSEPVHASE-UHFFFAOYSA-N -1 3 299.345 3.025 20 0 CGADHM Cc1nc2ccc(NC([O-])=NOC3CCCC3)cc2o1 ZINC000271834127 191354907 /nfs/dbraw/zinc/35/49/07/191354907.db2.gz SPVRPYCNEUGVPQ-UHFFFAOYSA-N -1 3 275.308 3.132 20 0 CGADHM Cc1nc2ccc(NC(=O)[N-]OC3CCCC3)cc2o1 ZINC000271834127 191354910 /nfs/dbraw/zinc/35/49/10/191354910.db2.gz SPVRPYCNEUGVPQ-UHFFFAOYSA-N -1 3 275.308 3.132 20 0 CGADHM COCC(C)(C)CC(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000413715916 235304998 /nfs/dbraw/zinc/30/49/98/235304998.db2.gz SDYNKGHPBFPMFH-GFCCVEGCSA-N -1 3 291.391 3.295 20 0 CGADHM Cc1ncccc1C=Cc1cc(=O)[n-]c(C(C)(C)C)n1 ZINC000414082484 235331777 /nfs/dbraw/zinc/33/17/77/235331777.db2.gz VDQFIMZAFRXEMC-FPLPWBNLSA-N -1 3 269.348 3.354 20 0 CGADHM CC(=O)[C@@H]1C[C@H](CC(=O)Nc2ccc(C)cc2[O-])C1(C)C ZINC000273509811 192181098 /nfs/dbraw/zinc/18/10/98/192181098.db2.gz NOKHYXCQYOBMJX-OLZOCXBDSA-N -1 3 289.375 3.281 20 0 CGADHM Cc1nc(C2CC2)oc1C(=O)Nc1ccc(C)cc1[O-] ZINC000273581277 192214215 /nfs/dbraw/zinc/21/42/15/192214215.db2.gz QPKWWQBDCSLWGW-UHFFFAOYSA-N -1 3 272.304 3.127 20 0 CGADHM CSc1ccccc1C(=O)Nc1nc(C)ccc1[O-] ZINC000336335039 213181549 /nfs/dbraw/zinc/18/15/49/213181549.db2.gz MZFPNOYBWIDWQO-UHFFFAOYSA-N -1 3 274.345 3.070 20 0 CGADHM C[C@@H]1CCc2nc(CNCCCCCC(=O)[O-])sc2C1 ZINC000426673199 236306580 /nfs/dbraw/zinc/30/65/80/236306580.db2.gz WFGNKWXIFAWMCW-LLVKDONJSA-N -1 3 296.436 3.003 20 0 CGADHM CC(=O)c1ccc(C(=O)N2C[C@H](C)C[C@H](C)[C@H]2C)cc1[O-] ZINC000408462738 138606848 /nfs/dbraw/zinc/60/68/48/138606848.db2.gz ANDJIPKGQLGQMJ-GRYCIOLGSA-N -1 3 289.375 3.101 20 0 CGADHM O=C(CSC1CC1)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000294834207 199204181 /nfs/dbraw/zinc/20/41/81/199204181.db2.gz LXEANMOXJJTATP-UHFFFAOYSA-N -1 3 291.294 3.245 20 0 CGADHM CCCc1csc(NC([O-])=NOC[C@@H](C)CC)n1 ZINC000296801835 200002096 /nfs/dbraw/zinc/00/20/96/200002096.db2.gz IFZAMTCYCAXADK-VIFPVBQESA-N -1 3 271.386 3.195 20 0 CGADHM CCCc1csc(NC(=O)[N-]OC[C@@H](C)CC)n1 ZINC000296801835 200002098 /nfs/dbraw/zinc/00/20/98/200002098.db2.gz IFZAMTCYCAXADK-VIFPVBQESA-N -1 3 271.386 3.195 20 0 CGADHM Cc1ccc(C(=O)NC[C@H]2CCCC(F)(F)C2)c([O-])c1 ZINC000436496382 237115845 /nfs/dbraw/zinc/11/58/45/237115845.db2.gz QLRQLNPTPKSZFP-NSHDSACASA-N -1 3 283.318 3.256 20 0 CGADHM Cc1nn(C)c2cc(NC(=O)c3cccc(C)c3[O-])ccc12 ZINC000436643857 237150778 /nfs/dbraw/zinc/15/07/78/237150778.db2.gz YZTUJLPEXWXMAR-UHFFFAOYSA-N -1 3 295.342 3.148 20 0 CGADHM C[C@H]1[C@@H](Cc2ccccc2)CCN1C(=O)c1ccccc1[O-] ZINC000436576246 237132621 /nfs/dbraw/zinc/13/26/21/237132621.db2.gz OVKNNLPXFMQXEY-GOEBONIOSA-N -1 3 295.382 3.486 20 0 CGADHM Cc1coc(C)c1-c1nc(-c2ccc([O-])cc2)no1 ZINC000436565912 237133985 /nfs/dbraw/zinc/13/39/85/237133985.db2.gz NZSGKNCGIFJWDE-UHFFFAOYSA-N -1 3 256.261 3.319 20 0 CGADHM Cc1ccc(-c2nc(Cc3cncs3)no2)c([O-])c1C ZINC000436597931 237141035 /nfs/dbraw/zinc/14/10/35/237141035.db2.gz XHUKUIZJXCZRTH-UHFFFAOYSA-N -1 3 287.344 3.106 20 0 CGADHM O=C(Nc1ccc2nc[nH]c2c1)c1cc(Cl)ccc1[O-] ZINC000436710323 237161480 /nfs/dbraw/zinc/16/14/80/237161480.db2.gz SDKBFTFIYVZTBN-UHFFFAOYSA-N -1 3 287.706 3.174 20 0 CGADHM Cc1cccc(CCNC(=O)c2ccc(C)c(C)c2[O-])c1 ZINC000436717126 237165242 /nfs/dbraw/zinc/16/52/42/237165242.db2.gz SCFWAVDLIDQGQS-UHFFFAOYSA-N -1 3 283.371 3.290 20 0 CGADHM Cc1ccc(C(=O)N2CC[C@H](C)C3(CCC3)C2)c([O-])c1 ZINC000436713891 237165983 /nfs/dbraw/zinc/16/59/83/237165983.db2.gz DIPJCCVVXSLRIY-ZDUSSCGKSA-N -1 3 273.376 3.353 20 0 CGADHM Cc1ccc(OCc2nc(-c3ccc([O-])cc3)no2)cc1 ZINC000436768498 237179897 /nfs/dbraw/zinc/17/98/97/237179897.db2.gz KUYJOGMWJBFTCQ-UHFFFAOYSA-N -1 3 282.299 3.330 20 0 CGADHM CCc1occc1-c1nc(-c2ccc([O-])c(OC)c2)no1 ZINC000436869625 237197501 /nfs/dbraw/zinc/19/75/01/237197501.db2.gz NBUZROGRQGJGHT-UHFFFAOYSA-N -1 3 286.287 3.273 20 0 CGADHM O=C(N[C@@H](c1ccccc1)C(F)F)c1ccccc1[O-] ZINC000436888148 237205260 /nfs/dbraw/zinc/20/52/60/237205260.db2.gz QMGKUUGDTVUIQP-ZDUSSCGKSA-N -1 3 277.270 3.128 20 0 CGADHM Cc1ccc(OCCN(C)C(=O)c2ccc([O-])c(C)c2)cc1 ZINC000436902949 237209182 /nfs/dbraw/zinc/20/91/82/237209182.db2.gz RXRDEVLLQITQJG-UHFFFAOYSA-N -1 3 299.370 3.160 20 0 CGADHM Cc1cc(C(=O)N2CCc3ccccc3[C@H]2C)ccc1[O-] ZINC000436931341 237211145 /nfs/dbraw/zinc/21/11/45/237211145.db2.gz BEZIGNKEUSWYTM-CYBMUJFWSA-N -1 3 281.355 3.460 20 0 CGADHM Cc1cc(C(=O)N[C@H]2c3ccccc3C[C@@H]2C)ccc1[O-] ZINC000436939663 237216277 /nfs/dbraw/zinc/21/62/77/237216277.db2.gz PNEOYZAOJXCDRE-YVEFUNNKSA-N -1 3 281.355 3.364 20 0 CGADHM CC(C)ON=C([O-])Nc1ccc(OC2CCC2)c(F)c1 ZINC000297032495 200067616 /nfs/dbraw/zinc/06/76/16/200067616.db2.gz UNWHQYLKXYGPQO-UHFFFAOYSA-N -1 3 282.315 3.219 20 0 CGADHM CC(C)O[N-]C(=O)Nc1ccc(OC2CCC2)c(F)c1 ZINC000297032495 200067618 /nfs/dbraw/zinc/06/76/18/200067618.db2.gz UNWHQYLKXYGPQO-UHFFFAOYSA-N -1 3 282.315 3.219 20 0 CGADHM Cc1ccc([O-])c(C(=O)N[C@H]2C[C@H](c3ccccc3)C2)c1 ZINC000437406430 237284533 /nfs/dbraw/zinc/28/45/33/237284533.db2.gz FZSMTMJJUWOSQQ-SHTZXODSSA-N -1 3 281.355 3.377 20 0 CGADHM CCOc1cc(CN2CCO[C@H](C)[C@H]2C)cc(Cl)c1[O-] ZINC000297913663 200303905 /nfs/dbraw/zinc/30/39/05/200303905.db2.gz SMDDANGVKHDLDH-GHMZBOCLSA-N -1 3 299.798 3.054 20 0 CGADHM CCc1cc(C(=O)N2CCC[C@H]2C(C)C)ccc1[O-] ZINC000342160410 216244530 /nfs/dbraw/zinc/24/45/30/216244530.db2.gz MOISQZYZUJRKOO-AWEZNQCLSA-N -1 3 261.365 3.215 20 0 CGADHM Cc1cccc([O-])c1NC(=O)C[C@@H]1OCCc2ccccc21 ZINC000179560108 189202459 /nfs/dbraw/zinc/20/24/59/189202459.db2.gz ZJXHQPDNCKTVBB-INIZCTEOSA-N -1 3 297.354 3.343 20 0 CGADHM O=C([N-]c1nc2ccccc2s1)c1cc(C2CC2)no1 ZINC000440450159 238307581 /nfs/dbraw/zinc/30/75/81/238307581.db2.gz IBGYOQVWZMJYTI-UHFFFAOYSA-N -1 3 285.328 3.414 20 0 CGADHM CCN(CCCCC(=O)[O-])Cc1ccccc1Cl ZINC000181545594 189300645 /nfs/dbraw/zinc/30/06/45/189300645.db2.gz DOCVIWAZCHDQCN-UHFFFAOYSA-N -1 3 269.772 3.417 20 0 CGADHM C[C@H](c1ccco1)N(C(=O)c1cccc([O-])c1)C1CC1 ZINC000182181099 189316378 /nfs/dbraw/zinc/31/63/78/189316378.db2.gz RIHXONBYKJYDFY-LLVKDONJSA-N -1 3 271.316 3.351 20 0 CGADHM CCc1cc(=O)[n-]c(CN[C@H](C)c2cc(C)cc(C)c2)n1 ZINC000182889788 189338488 /nfs/dbraw/zinc/33/84/88/189338488.db2.gz YXLASBJHKPLYNO-CYBMUJFWSA-N -1 3 285.391 3.212 20 0 CGADHM COc1cccc2c1CC[C@H]2[N-]c1nc(C(C)C)no1 ZINC000301657698 201118993 /nfs/dbraw/zinc/11/89/93/201118993.db2.gz SKVXNVNKCGEGBR-GFCCVEGCSA-N -1 3 273.336 3.301 20 0 CGADHM CCC(CC)[C@H](C)C(=O)Nc1nnc(-c2ccc(C)o2)[n-]1 ZINC000342371779 216328913 /nfs/dbraw/zinc/32/89/13/216328913.db2.gz ZEYKGKIYSKUTLL-JTQLQIEISA-N -1 3 290.367 3.384 20 0 CGADHM CCC(CC)[C@H](C)C(=O)Nc1nc(-c2ccc(C)o2)n[n-]1 ZINC000342371779 216328915 /nfs/dbraw/zinc/32/89/15/216328915.db2.gz ZEYKGKIYSKUTLL-JTQLQIEISA-N -1 3 290.367 3.384 20 0 CGADHM CCC(CC)[C@H](C)C(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC000342371779 216328917 /nfs/dbraw/zinc/32/89/17/216328917.db2.gz ZEYKGKIYSKUTLL-JTQLQIEISA-N -1 3 290.367 3.384 20 0 CGADHM Cc1cccc2c(NCc3ccc([O-])c(F)c3)ncnc12 ZINC000301695788 201144643 /nfs/dbraw/zinc/14/46/43/201144643.db2.gz BBMGAOKYGXQVMV-UHFFFAOYSA-N -1 3 283.306 3.395 20 0 CGADHM Cc1n[nH]c(C)c1[C@H](C)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000183704148 189366328 /nfs/dbraw/zinc/36/63/28/189366328.db2.gz BBFWMGMFNGBFEC-ZETCQYMHSA-N -1 3 293.754 3.128 20 0 CGADHM CCO[N-]C(=O)Nc1cccc(C(F)(F)F)c1C ZINC000184087098 189375800 /nfs/dbraw/zinc/37/58/00/189375800.db2.gz HUMKLOQHCUNXGC-UHFFFAOYSA-N -1 3 262.231 3.087 20 0 CGADHM CCc1cccc(C(=O)Nc2ccccc2N(C)C)c1[O-] ZINC000537644635 376190071 /nfs/dbraw/zinc/19/00/71/376190071.db2.gz QUIPCACGFNINPJ-UHFFFAOYSA-N -1 3 284.359 3.273 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2ccc(F)cc2F)c1 ZINC000537645352 376190360 /nfs/dbraw/zinc/19/03/60/376190360.db2.gz REUZHKKTLZGZJY-UHFFFAOYSA-N -1 3 277.270 3.485 20 0 CGADHM C/C=C/C[C@H](CO)[N-]c1nc(-c2cccc(Cl)c2)no1 ZINC000302240972 201417758 /nfs/dbraw/zinc/41/77/58/201417758.db2.gz IENWXJWYMMTTFD-QAVQXKDTSA-N -1 3 293.754 3.129 20 0 CGADHM CCCc1nc(C)c([N-]C(=O)c2cc(OCC)no2)s1 ZINC000450751255 240072029 /nfs/dbraw/zinc/07/20/29/240072029.db2.gz AGKODMBPEOQCQN-UHFFFAOYSA-N -1 3 295.364 3.043 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)NC(C1CCC1)C1CCC1 ZINC000451720644 240347251 /nfs/dbraw/zinc/34/72/51/240347251.db2.gz VFEORUSMYHDGCL-UHFFFAOYSA-N -1 3 291.366 3.159 20 0 CGADHM Cc1cccc(C(=O)N2C[C@H](C(C)C)[C@@H]2C(C)C)c1[O-] ZINC000456292101 241393213 /nfs/dbraw/zinc/39/32/13/241393213.db2.gz OMRUWYKSAYAAAM-CABCVRRESA-N -1 3 275.392 3.453 20 0 CGADHM CCc1oc(C(=O)Nc2ccc(C)cc2[O-])cc1C ZINC000121347682 370853659 /nfs/dbraw/zinc/85/36/59/370853659.db2.gz BSKLRYAKTJPFHC-UHFFFAOYSA-N -1 3 259.305 3.417 20 0 CGADHM [O-]c1ccc(F)c(CN2CC(C3CCCC3)C2)c1F ZINC000459606730 242144765 /nfs/dbraw/zinc/14/47/65/242144765.db2.gz FNOGQVDKEQMLTE-UHFFFAOYSA-N -1 3 267.319 3.292 20 0 CGADHM COc1ccc([O-])c(C(=O)N2CC[C@H](c3ccccc3)C2)c1 ZINC000121541947 370871385 /nfs/dbraw/zinc/87/13/85/370871385.db2.gz GIMXCDLWNZCFHU-AWEZNQCLSA-N -1 3 297.354 3.031 20 0 CGADHM O=C(CCCc1ccc([O-])c(F)c1)NC[C@@H]1CC=CCC1 ZINC000469060810 242666473 /nfs/dbraw/zinc/66/64/73/242666473.db2.gz VHYVEXRWTSJEKY-CQSZACIVSA-N -1 3 291.366 3.327 20 0 CGADHM CC(C)[C@H]1C[C@H]1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000477706147 243052168 /nfs/dbraw/zinc/05/21/68/243052168.db2.gz VAJPPAUHJTVEAE-NXEZZACHSA-N -1 3 253.729 3.276 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2cc3c[nH]nc3cc2C)c1 ZINC000481347868 243188626 /nfs/dbraw/zinc/18/86/26/243188626.db2.gz WBNPLURDAKZRQJ-UHFFFAOYSA-N -1 3 281.315 3.138 20 0 CGADHM C[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000013939371 368670222 /nfs/dbraw/zinc/67/02/22/368670222.db2.gz KJMUSVXKIAKWNV-BDAKNGLRSA-N -1 3 293.841 3.259 20 0 CGADHM CO[C@@](C)(C(=O)Nc1ccc(C)cc1[O-])c1ccccc1 ZINC000122538980 370906148 /nfs/dbraw/zinc/90/61/48/370906148.db2.gz AJPJRCZNZHAFLD-QGZVFWFLSA-N -1 3 285.343 3.201 20 0 CGADHM CC(C)N(Cc1ccccc1)C(=O)c1ccccc1[O-] ZINC000019838904 368770054 /nfs/dbraw/zinc/77/00/54/368770054.db2.gz RJDCPJXBOQFWQG-UHFFFAOYSA-N -1 3 269.344 3.443 20 0 CGADHM CCOc1ccc(NC(=O)c2cccc([O-])c2)cc1 ZINC000019838024 368770276 /nfs/dbraw/zinc/77/02/76/368770276.db2.gz DGTHAKMMYYBXEV-UHFFFAOYSA-N -1 3 257.289 3.043 20 0 CGADHM CCN(C(=O)c1cccc(OC)c1[O-])C1CCCCC1 ZINC000019839479 368771278 /nfs/dbraw/zinc/77/12/78/368771278.db2.gz JQVXJGGPFUNYHQ-UHFFFAOYSA-N -1 3 277.364 3.196 20 0 CGADHM COc1cccc(C(=O)Nc2ccc(Cl)cc2)c1[O-] ZINC000019839523 368771554 /nfs/dbraw/zinc/77/15/54/368771554.db2.gz CNJAGBJTTAYAMX-UHFFFAOYSA-N -1 3 277.707 3.307 20 0 CGADHM O=C([O-])c1ccc(CNC/C=C/c2ccccc2)cc1 ZINC000026483035 368859937 /nfs/dbraw/zinc/85/99/37/368859937.db2.gz FONTVIJPUHPZKR-QPJJXVBHSA-N -1 3 267.328 3.188 20 0 CGADHM Cc1noc(C(C)C)c1C(=O)[N-]c1nnc(C(C)C)s1 ZINC000026601805 368862820 /nfs/dbraw/zinc/86/28/20/368862820.db2.gz QMQBGGJCIGMCPR-UHFFFAOYSA-N -1 3 294.380 3.334 20 0 CGADHM O=C(Nc1ncccc1[O-])c1cc2ccc(Cl)cc2[nH]1 ZINC000028869257 368890398 /nfs/dbraw/zinc/89/03/98/368890398.db2.gz MYTKOEZZZUIGDR-UHFFFAOYSA-N -1 3 287.706 3.174 20 0 CGADHM O=C(Nc1ccc(Cl)cc1F)c1ccc2n[n-]nc2c1 ZINC000029108249 368891888 /nfs/dbraw/zinc/89/18/88/368891888.db2.gz DWGXSKMNIQKGLN-UHFFFAOYSA-N -1 3 290.685 3.003 20 0 CGADHM COc1cc(C(=O)N(C(C)C)C2CCCC2)ccc1[O-] ZINC000276039888 193195934 /nfs/dbraw/zinc/19/59/34/193195934.db2.gz VSJPDEQLZNTFHY-UHFFFAOYSA-N -1 3 277.364 3.194 20 0 CGADHM O=C(/C=C\c1cc2ccccc2o1)[N-]OCCC(F)(F)F ZINC000492745611 244017164 /nfs/dbraw/zinc/01/71/64/244017164.db2.gz AKOCASLMZRYYBC-WAYWQWQTSA-N -1 3 299.248 3.446 20 0 CGADHM O=C(/C=C\c1ccsc1)Nc1cccc([O-])c1F ZINC000492823565 244033873 /nfs/dbraw/zinc/03/38/73/244033873.db2.gz NLUKGZXRTRVFJC-PLNGDYQASA-N -1 3 263.293 3.245 20 0 CGADHM C[C@@H](c1cccs1)N(C)C(=O)c1cccc([O-])c1 ZINC000042226931 369205474 /nfs/dbraw/zinc/20/54/74/369205474.db2.gz CHFRCUDSRODGDK-JTQLQIEISA-N -1 3 261.346 3.287 20 0 CGADHM O=C(/C=C\c1cccnc1)Nc1c([O-])cccc1Cl ZINC000493651714 244205474 /nfs/dbraw/zinc/20/54/74/244205474.db2.gz LDLAYNKDSFCJQI-SREVYHEPSA-N -1 3 274.707 3.093 20 0 CGADHM COc1ccc([O-])c(C(=O)N[C@@H](C)c2cc(C)oc2C)c1 ZINC000044731505 369269508 /nfs/dbraw/zinc/26/95/08/369269508.db2.gz KEEIUQUQWUYBOV-JTQLQIEISA-N -1 3 289.331 3.102 20 0 CGADHM O=C(N[C@@H]1C[C@H]1C1CCC1)c1cc([O-])c2ccccc2c1 ZINC000424972607 284142927 /nfs/dbraw/zinc/14/29/27/284142927.db2.gz VWBWRDFUOBKWMR-JKSUJKDBSA-N -1 3 281.355 3.464 20 0 CGADHM COc1ccc([O-])c(C(=O)N(C)[C@@H](C)c2cccs2)c1 ZINC000049932340 369424078 /nfs/dbraw/zinc/42/40/78/369424078.db2.gz HOCONJVTEPBGJS-JTQLQIEISA-N -1 3 291.372 3.296 20 0 CGADHM COc1ccc([O-])c(C(=O)N(C)[C@H]2CCC[C@H](C)C2)c1 ZINC000055464161 369517779 /nfs/dbraw/zinc/51/77/79/369517779.db2.gz NZQYLRFEGXQPSU-RYUDHWBXSA-N -1 3 277.364 3.052 20 0 CGADHM CCc1ccc(C(=O)N(C)[C@H](C)C2(C)CC2)c([O-])c1 ZINC000276584616 193390543 /nfs/dbraw/zinc/39/05/43/193390543.db2.gz VRKPMSMXZMUROF-LLVKDONJSA-N -1 3 261.365 3.215 20 0 CGADHM CCN(Cc1cccc(F)c1)C(=O)c1ccccc1[O-] ZINC000078926293 369955687 /nfs/dbraw/zinc/95/56/87/369955687.db2.gz XJNZSZMGTGXQAV-UHFFFAOYSA-N -1 3 273.307 3.194 20 0 CGADHM CCC[C@H](C)C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000076720516 369939817 /nfs/dbraw/zinc/93/98/17/369939817.db2.gz KRHGQILWPZGPNB-NSHDSACASA-N -1 3 299.374 3.120 20 0 CGADHM Cc1ccc(C(=O)N[C@@H]2CCCc3occc32)c([O-])c1C ZINC000097476570 370243842 /nfs/dbraw/zinc/24/38/42/370243842.db2.gz YKJBVJZJSBGSBI-CQSZACIVSA-N -1 3 285.343 3.409 20 0 CGADHM Cc1cc(C)cc(-c2cc(=NC(=O)[C@H]3CC=CCC3)[nH][n-]2)c1 ZINC000512555755 245041112 /nfs/dbraw/zinc/04/11/12/245041112.db2.gz SJBJAMLISZNRFA-AWEZNQCLSA-N -1 3 295.386 3.410 20 0 CGADHM O=C(c1cc(OCc2ccccc2)ccc1[O-])N1CCCC1 ZINC000130147866 371013108 /nfs/dbraw/zinc/01/31/08/371013108.db2.gz HWESPBWPYMGDEP-UHFFFAOYSA-N -1 3 297.354 3.207 20 0 CGADHM CCOC(=O)c1ccc(NC(=O)[C@@H](C)C(C)(C)C)c([O-])c1 ZINC000537823358 376202253 /nfs/dbraw/zinc/20/22/53/376202253.db2.gz NZJMINHWCLLRHL-SNVBAGLBSA-N -1 3 293.363 3.190 20 0 CGADHM COc1ccc(C(C)C)cc1CN1CCC(C(=O)[O-])CC1 ZINC000003747700 541848197 /nfs/dbraw/zinc/84/81/97/541848197.db2.gz MHSUEAVUPHPBFU-UHFFFAOYSA-N -1 3 291.391 3.115 20 0 CGADHM CCc1noc(C)c1[N-]C(=O)c1cc(F)c(F)c(F)c1 ZINC000132771427 371200971 /nfs/dbraw/zinc/20/09/71/371200971.db2.gz UHZKVDABMTWTBR-UHFFFAOYSA-N -1 3 284.237 3.215 20 0 CGADHM COc1cccc(C(=O)N2CCC[C@@H]2CC(C)C)c1[O-] ZINC000133240669 371239321 /nfs/dbraw/zinc/23/93/21/371239321.db2.gz MRQAUWPVYMWUHI-GFCCVEGCSA-N -1 3 277.364 3.052 20 0 CGADHM C[C@H](CS(=O)(=O)[N-]c1cccc(F)c1)c1ccccc1 ZINC000133385182 371248005 /nfs/dbraw/zinc/24/80/05/371248005.db2.gz PWWBBEDUUOXSDH-GFCCVEGCSA-N -1 3 293.363 3.371 20 0 CGADHM CC[C@@H]1CCCCCN1C(=O)c1ccc(C)cc1[O-] ZINC000134721313 371361297 /nfs/dbraw/zinc/36/12/97/371361297.db2.gz DVRNRVWPEHNRPN-CYBMUJFWSA-N -1 3 261.365 3.495 20 0 CGADHM Cc1ccc(NC(=O)Cc2ccc([O-])cc2Cl)c(O)c1 ZINC000136091291 371459809 /nfs/dbraw/zinc/45/98/09/371459809.db2.gz MNAOLWBGPMEPDF-UHFFFAOYSA-N -1 3 291.734 3.241 20 0 CGADHM C[C@H]1CCC[C@@H](NC(=O)Cc2ccc([O-])cc2Cl)C1 ZINC000136149727 371463419 /nfs/dbraw/zinc/46/34/19/371463419.db2.gz UHQLZGNAFKNVDK-CMPLNLGQSA-N -1 3 281.783 3.283 20 0 CGADHM CC[C@H]1CCCCCN1Cc1nc(=O)c2sccc2[n-]1 ZINC000150737916 371534533 /nfs/dbraw/zinc/53/45/33/371534533.db2.gz MXQVSGWIGOCTJQ-NSHDSACASA-N -1 3 291.420 3.139 20 0 CGADHM Cc1ccc(NC(=O)NCc2ccc([O-])c(F)c2)cc1C ZINC000151238832 371584462 /nfs/dbraw/zinc/58/44/62/371584462.db2.gz GDGGKZIFNCFWQP-UHFFFAOYSA-N -1 3 288.322 3.470 20 0 CGADHM Cc1ccc(Cl)cc1C(=O)NCc1ccc([O-])c(F)c1 ZINC000151726132 371629301 /nfs/dbraw/zinc/62/93/01/371629301.db2.gz GONIXAGIQVDSDW-UHFFFAOYSA-N -1 3 293.725 3.423 20 0 CGADHM O=C(Cc1ccc([O-])cc1Cl)N1CCC[C@@H]2CCC[C@@H]21 ZINC000154811939 371880674 /nfs/dbraw/zinc/88/06/74/371880674.db2.gz LDOMRPPDOFTBNI-NHYWBVRUSA-N -1 3 293.794 3.379 20 0 CGADHM O=C([O-])C[C@H](NCc1cccs1)c1cccs1 ZINC000037087928 541861421 /nfs/dbraw/zinc/86/14/21/541861421.db2.gz CNDLNMZGKRLWNI-JTQLQIEISA-N -1 3 267.375 3.115 20 0 CGADHM CCc1ccc(-c2nc([C@](C)(CC)OC)no2)c([O-])c1 ZINC000290478735 371998892 /nfs/dbraw/zinc/99/88/92/371998892.db2.gz NQNITNYJQBYCSI-HNNXBMFYSA-N -1 3 276.336 3.276 20 0 CGADHM [O-]c1cc(F)cc(CN2CCCc3occc3C2)c1 ZINC000290264254 371950241 /nfs/dbraw/zinc/95/02/41/371950241.db2.gz XCNFDUDRZQFPJJ-UHFFFAOYSA-N -1 3 261.296 3.073 20 0 CGADHM CC[C@@H]1CCC[C@H]1NC(=O)c1cc([O-])ccc1Cl ZINC000290262877 371950550 /nfs/dbraw/zinc/95/05/50/371950550.db2.gz AJYFSUIHXZCLDA-NOZJJQNGSA-N -1 3 267.756 3.354 20 0 CGADHM O=C(c1cc([O-])ccc1Cl)N1CC2(C1)CCCCC2 ZINC000290586456 372022572 /nfs/dbraw/zinc/02/25/72/372022572.db2.gz YZELERAOUUIYHG-UHFFFAOYSA-N -1 3 279.767 3.452 20 0 CGADHM CC(C)CCN(CCC(C)C)C(=O)c1csc(=O)[n-]1 ZINC000344200096 217095377 /nfs/dbraw/zinc/09/53/77/217095377.db2.gz KLNNFGSQOGLOOU-UHFFFAOYSA-N -1 3 284.425 3.383 20 0 CGADHM C[C@@H]1CC(CCNCc2c(F)ccc([O-])c2F)C[C@@H](C)O1 ZINC000353361163 220042608 /nfs/dbraw/zinc/04/26/08/220042608.db2.gz QYLAARPKFDSKBF-GHMZBOCLSA-N -1 3 299.361 3.354 20 0 CGADHM CCC[C@]1(NCc2cccc([O-])c2Cl)CCOC1 ZINC000293069914 372293064 /nfs/dbraw/zinc/29/30/64/372293064.db2.gz VIJPLVVBUNTXQM-AWEZNQCLSA-N -1 3 269.772 3.094 20 0 CGADHM [O-]c1cccc(CNCC2(CO)CC3(CCC3)C2)c1Cl ZINC000293202764 372324697 /nfs/dbraw/zinc/32/46/97/372324697.db2.gz ISVUBVAFFABPHJ-UHFFFAOYSA-N -1 3 295.810 3.078 20 0 CGADHM CC[C@@H](CSC)NCc1cccc([O-])c1Cl ZINC000293344624 372360915 /nfs/dbraw/zinc/36/09/15/372360915.db2.gz SMSJBDLZTWBAAT-JTQLQIEISA-N -1 3 259.802 3.277 20 0 CGADHM Cc1ncc(CNCc2cc(Cl)cc(Cl)c2)c(=O)[n-]1 ZINC000344328289 217151082 /nfs/dbraw/zinc/15/10/82/217151082.db2.gz LFLNXWKHDSSSRP-UHFFFAOYSA-N -1 3 298.173 3.087 20 0 CGADHM CCC[C@H](C(=O)NCc1ccc([O-])c(F)c1)C(C)C ZINC000162830076 372426861 /nfs/dbraw/zinc/42/68/61/372426861.db2.gz JTHVIDKKELICLU-LBPRGKRZSA-N -1 3 267.344 3.220 20 0 CGADHM CN(CCc1ccncc1)Cc1cccc([O-])c1Cl ZINC000293662560 372442979 /nfs/dbraw/zinc/44/29/79/372442979.db2.gz PQYIVKWSOJMHAS-UHFFFAOYSA-N -1 3 276.767 3.115 20 0 CGADHM [O-]c1cccc(CNCCCOC2CCCC2)c1Cl ZINC000293724776 372462869 /nfs/dbraw/zinc/46/28/69/372462869.db2.gz YUCSJXLEDJOGAF-UHFFFAOYSA-N -1 3 283.799 3.485 20 0 CGADHM COc1cc(C(=O)N(C)Cc2cccc(C)c2C)ccc1[O-] ZINC000293732615 372464257 /nfs/dbraw/zinc/46/42/57/372464257.db2.gz UNGNUOFNQWXJBH-UHFFFAOYSA-N -1 3 299.370 3.290 20 0 CGADHM C[C@@H]1CCN(C(=O)c2c[n-]c3ccccc3c2=O)C[C@@H](C)C1 ZINC000163427143 372468437 /nfs/dbraw/zinc/46/84/37/372468437.db2.gz FIYGVAHMRJAHLP-OLZOCXBDSA-N -1 3 298.386 3.036 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)c1c(Cl)cncc1Cl ZINC000293802995 372486957 /nfs/dbraw/zinc/48/69/57/372486957.db2.gz TTXTUOZZZQOTMM-SSDOTTSWSA-N -1 3 277.151 3.096 20 0 CGADHM CC[C@@H](C)N(C)C(=O)c1c[n-]c2c(C)cccc2c1=O ZINC000164597319 372525924 /nfs/dbraw/zinc/52/59/24/372525924.db2.gz NAMAWGZUAMTSCP-LLVKDONJSA-N -1 3 272.348 3.119 20 0 CGADHM CC(C)N(Cc1cccc([O-])c1Cl)[C@H]1CCOC1 ZINC000293952103 372534156 /nfs/dbraw/zinc/53/41/56/372534156.db2.gz PENYVJXDXOHISK-LBPRGKRZSA-N -1 3 269.772 3.045 20 0 CGADHM [O-]c1ccc(F)c(CN[C@@H]2CCc3ccccc32)c1F ZINC000294260852 372631884 /nfs/dbraw/zinc/63/18/84/372631884.db2.gz NVJRWAQPYIMIMP-CQSZACIVSA-N -1 3 275.298 3.448 20 0 CGADHM Cc1cc(C(=O)Nc2cc(Cl)ccc2[O-])ns1 ZINC000170241827 372636287 /nfs/dbraw/zinc/63/62/87/372636287.db2.gz IYVAIJKUZNXJID-UHFFFAOYSA-N -1 3 268.725 3.063 20 0 CGADHM [O-]c1cccc(CN2CC[C@]3(C2)CCCOC3)c1Cl ZINC000353388225 220057611 /nfs/dbraw/zinc/05/76/11/220057611.db2.gz MOCNGRHSILNBNO-HNNXBMFYSA-N -1 3 281.783 3.048 20 0 CGADHM Cc1csc(CNCc2ccc(C(=O)[O-])cc2)c1 ZINC000344612587 217247618 /nfs/dbraw/zinc/24/76/18/217247618.db2.gz NQHPBIQAECPVNJ-UHFFFAOYSA-N -1 3 261.346 3.045 20 0 CGADHM CCO[N-]C(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000171710551 372813579 /nfs/dbraw/zinc/81/35/79/372813579.db2.gz XMASWTAAWZSKOC-CABCVRRESA-N -1 3 255.317 3.011 20 0 CGADHM Cc1ccc(C(=O)N2CCCCC[C@@H]2C)c([O-])c1C ZINC000436543078 372836019 /nfs/dbraw/zinc/83/60/19/372836019.db2.gz DCYJPTNWIZGTBS-LBPRGKRZSA-N -1 3 261.365 3.414 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2Cc3ccccc3O[C@@H](C)C2)c1 ZINC000436688198 372838170 /nfs/dbraw/zinc/83/81/70/372838170.db2.gz TWTMEPCYKJZWFN-ZDUSSCGKSA-N -1 3 297.354 3.124 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N(C)CCc2ccccc2C)n1 ZINC000295613891 372848993 /nfs/dbraw/zinc/84/89/93/372848993.db2.gz DJPDKXBCEWEFGR-AWEZNQCLSA-N -1 3 285.391 3.035 20 0 CGADHM CCc1onc(C)c1[N-]C(=O)c1cccc(C(F)(F)F)n1 ZINC000295636894 372855848 /nfs/dbraw/zinc/85/58/48/372855848.db2.gz XXODAFHSZAKONG-UHFFFAOYSA-N -1 3 299.252 3.212 20 0 CGADHM Cc1cccc(C(=O)N[C@H](C)c2ccsc2)c1[O-] ZINC000061367976 541884141 /nfs/dbraw/zinc/88/41/41/541884141.db2.gz SZPPXIJXMRPLEM-SNVBAGLBSA-N -1 3 261.346 3.253 20 0 CGADHM COc1cccc(C(=O)N2CCC[C@]2(C)CC(C)C)c1[O-] ZINC000295822026 372923033 /nfs/dbraw/zinc/92/30/33/372923033.db2.gz PTJJRXDSBMKMQF-QGZVFWFLSA-N -1 3 291.391 3.442 20 0 CGADHM COc1cc(C(=O)N2CCC[C@@]2(C)CC(C)C)ccc1[O-] ZINC000296108600 373025450 /nfs/dbraw/zinc/02/54/50/373025450.db2.gz KWJOOTYJIKBTDL-KRWDZBQOSA-N -1 3 291.391 3.442 20 0 CGADHM Cc1ncc(C[N-]c2nc(C(C)C)no2)n1-c1ccccc1 ZINC000172808655 373037737 /nfs/dbraw/zinc/03/77/37/373037737.db2.gz GVLIIXBHXCSBRW-UHFFFAOYSA-N -1 3 297.362 3.299 20 0 CGADHM CCC[C@@H](OC)c1noc(/C=C/c2cccc([O-])c2)n1 ZINC000296507974 373157185 /nfs/dbraw/zinc/15/71/85/373157185.db2.gz QJNMQVFHOJBWMM-MMQHEFTJSA-N -1 3 274.320 3.433 20 0 CGADHM CCN(C(=O)c1ccc([O-])c(OC)c1)[C@H]1CCCC[C@H]1C ZINC000442967716 373134977 /nfs/dbraw/zinc/13/49/77/373134977.db2.gz PVLLJKVHLQWJST-OCCSQVGLSA-N -1 3 291.391 3.442 20 0 CGADHM Cc1cc(Br)cc(NC([O-])=NOC(C)C)c1 ZINC000296555434 373176374 /nfs/dbraw/zinc/17/63/74/373176374.db2.gz CBNLMQQVRXJWFR-UHFFFAOYSA-N -1 3 287.157 3.219 20 0 CGADHM Cc1cc(Br)cc(NC(=O)[N-]OC(C)C)c1 ZINC000296555434 373176388 /nfs/dbraw/zinc/17/63/88/373176388.db2.gz CBNLMQQVRXJWFR-UHFFFAOYSA-N -1 3 287.157 3.219 20 0 CGADHM Cc1cc(C(=O)Nc2cc(Cl)cc(C)c2[O-])ns1 ZINC000444329615 373184316 /nfs/dbraw/zinc/18/43/16/373184316.db2.gz PJXFSLJEZKXTKH-UHFFFAOYSA-N -1 3 282.752 3.371 20 0 CGADHM Cc1ccc(NC([O-])=NOC(C)C)cc1OC(C)C ZINC000298419027 373321765 /nfs/dbraw/zinc/32/17/65/373321765.db2.gz LDGQCERBAGLGLN-UHFFFAOYSA-N -1 3 266.341 3.244 20 0 CGADHM Cc1ccc(NC(=O)[N-]OC(C)C)cc1OC(C)C ZINC000298419027 373321769 /nfs/dbraw/zinc/32/17/69/373321769.db2.gz LDGQCERBAGLGLN-UHFFFAOYSA-N -1 3 266.341 3.244 20 0 CGADHM CC(C)C[C@@H]1CCN(C(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000175191191 373426505 /nfs/dbraw/zinc/42/65/05/373426505.db2.gz FYAZPLPBJFTRLP-ZDUSSCGKSA-N -1 3 294.370 3.109 20 0 CGADHM CC(C)C[C@H]1CCN(C(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000175191208 373426905 /nfs/dbraw/zinc/42/69/05/373426905.db2.gz FYAZPLPBJFTRLP-CYBMUJFWSA-N -1 3 294.370 3.109 20 0 CGADHM CN(Cc1cc(C(C)(C)C)n[nH]1)Cc1cc([O-])cc(F)c1 ZINC000447063031 373396766 /nfs/dbraw/zinc/39/67/66/373396766.db2.gz HNBOCPSLWLKZFP-UHFFFAOYSA-N -1 3 291.370 3.184 20 0 CGADHM Cc1ncc(CN[C@H]2C[C@H](C(C)C)c3ccccc32)c(=O)[n-]1 ZINC000447596211 373460907 /nfs/dbraw/zinc/46/09/07/373460907.db2.gz BWCNROMWCOAFJQ-SJORKVTESA-N -1 3 297.402 3.465 20 0 CGADHM CCC1(CC)CCN([C@H](C)c2nc(C)cc(=O)[n-]2)CC1 ZINC000447882594 373513396 /nfs/dbraw/zinc/51/33/96/373513396.db2.gz POPVIQQLTKTNIP-CYBMUJFWSA-N -1 3 277.412 3.454 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N2CCCC3(CCCC3)C2)n1 ZINC000447879385 373514517 /nfs/dbraw/zinc/51/45/17/373514517.db2.gz QDQVMQQXUQWRBT-ZDUSSCGKSA-N -1 3 275.396 3.208 20 0 CGADHM Cc1ccc(C(=O)N=c2cc(-c3ccccc3F)o[n-]2)o1 ZINC000448488888 373579216 /nfs/dbraw/zinc/57/92/16/373579216.db2.gz DYIKIUMAFUUSGT-UHFFFAOYSA-N -1 3 286.262 3.056 20 0 CGADHM Cc1occc1C(=O)N=c1cc(-c2cccc(F)c2)o[n-]1 ZINC000448538952 373581623 /nfs/dbraw/zinc/58/16/23/373581623.db2.gz RCDJWPXPBZQXSX-UHFFFAOYSA-N -1 3 286.262 3.056 20 0 CGADHM C[C@@H]1CCCN(Cc2ccc(Cl)cc2F)[C@H]1C(=O)[O-] ZINC000300268633 373621848 /nfs/dbraw/zinc/62/18/48/373621848.db2.gz ATPJOQANOBYPQN-NOZJJQNGSA-N -1 3 285.746 3.164 20 0 CGADHM C[C@H]1CCCN(Cc2ccc(Cl)c(F)c2)[C@H]1C(=O)[O-] ZINC000300453827 373636346 /nfs/dbraw/zinc/63/63/46/373636346.db2.gz HEVZMSPIIYUIIR-TVQRCGJNSA-N -1 3 285.746 3.164 20 0 CGADHM C[C@@H]1CCC[C@H](NC(=O)Cc2ccc([O-])c(F)c2)[C@@H]1C ZINC000448568112 373602700 /nfs/dbraw/zinc/60/27/00/373602700.db2.gz DMGJNGMBKPFMKX-GYSYKLTISA-N -1 3 279.355 3.015 20 0 CGADHM CC(=O)Nc1cc(C(=O)Nc2c(C)cccc2[O-])ccc1C ZINC000179547553 373885202 /nfs/dbraw/zinc/88/52/02/373885202.db2.gz DGLJDZIEWNTABN-UHFFFAOYSA-N -1 3 298.342 3.220 20 0 CGADHM Cc1ccc2oc(C(=O)Nc3cccc([O-])c3F)cc2n1 ZINC000179146779 373842840 /nfs/dbraw/zinc/84/28/40/373842840.db2.gz LGVZLXWDPRHLHN-UHFFFAOYSA-N -1 3 286.262 3.233 20 0 CGADHM CCOc1nc2cc(C(=O)N(C)CC(C)(C)C)ccc2[n-]1 ZINC000449838617 373939394 /nfs/dbraw/zinc/93/93/94/373939394.db2.gz HBWZDKGQXOESDF-UHFFFAOYSA-N -1 3 289.379 3.080 20 0 CGADHM CCOc1nc2ccc(C(=O)N(C)CC(C)(C)C)cc2[n-]1 ZINC000449838617 373939397 /nfs/dbraw/zinc/93/93/97/373939397.db2.gz HBWZDKGQXOESDF-UHFFFAOYSA-N -1 3 289.379 3.080 20 0 CGADHM Cc1cccc(C(=O)NCC2(c3ccccc3)CC2)c1[O-] ZINC000302980697 374007595 /nfs/dbraw/zinc/00/75/95/374007595.db2.gz TXPIHFQKSGGWBY-UHFFFAOYSA-N -1 3 281.355 3.162 20 0 CGADHM CCOc1ccccc1CNC(=O)c1cccc(C)c1[O-] ZINC000303051200 374009482 /nfs/dbraw/zinc/00/94/82/374009482.db2.gz YAUUNOVRJCZQPM-UHFFFAOYSA-N -1 3 285.343 3.029 20 0 CGADHM Cc1cccc(C(=O)NC2(c3cccc(F)c3)CC2)c1[O-] ZINC000303871899 374029436 /nfs/dbraw/zinc/02/94/36/374029436.db2.gz XRDQXUHPECRSID-UHFFFAOYSA-N -1 3 285.318 3.259 20 0 CGADHM CCOc1ccccc1CN=c1[n-]c(C(C)=O)c(C)s1 ZINC000450270400 374032004 /nfs/dbraw/zinc/03/20/04/374032004.db2.gz RKGQUQFGQULKNR-UHFFFAOYSA-N -1 3 290.388 3.087 20 0 CGADHM Cc1cc2c([n-]c(COc3ccc(F)cc3)nc2=O)s1 ZINC000180971959 374064660 /nfs/dbraw/zinc/06/46/60/374064660.db2.gz OVTRCLKUKQEVJA-UHFFFAOYSA-N -1 3 290.319 3.011 20 0 CGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)[C@H](C)[C@H](C)CC ZINC000181267913 374101558 /nfs/dbraw/zinc/10/15/58/374101558.db2.gz PYANKNBUXLIOHK-NXEZZACHSA-N -1 3 296.367 3.034 20 0 CGADHM CC[C@H](CNCc1c(F)cccc1Cl)CC(=O)[O-] ZINC000310819948 374224982 /nfs/dbraw/zinc/22/49/82/374224982.db2.gz HFAZZSKTZBUSBZ-VIFPVBQESA-N -1 3 273.735 3.070 20 0 CGADHM Cc1ccccc1C[C@H](C)NC(=O)c1cccc([O-])c1 ZINC000182135486 374226009 /nfs/dbraw/zinc/22/60/09/374226009.db2.gz FXXGJKMEHXEZAA-ZDUSSCGKSA-N -1 3 269.344 3.062 20 0 CGADHM C[C@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cccc([O-])c1 ZINC000182460705 374276170 /nfs/dbraw/zinc/27/61/70/374276170.db2.gz XMAXWOCZIQSHKE-HUBLWGQQSA-N -1 3 259.349 3.185 20 0 CGADHM [O-]c1cccc(CNCc2cccs2)c1Cl ZINC000328377297 374364715 /nfs/dbraw/zinc/36/47/15/374364715.db2.gz RFUAWFNGMVRDBO-UHFFFAOYSA-N -1 3 253.754 3.397 20 0 CGADHM C[C@H](Cc1cccc(F)c1)C(=O)Nc1ccc([O-])cc1F ZINC000183259738 374392688 /nfs/dbraw/zinc/39/26/88/374392688.db2.gz GWGMTINSEOYPEF-SNVBAGLBSA-N -1 3 291.297 3.488 20 0 CGADHM CC(C)c1nc(C(=O)Nc2ccc([O-])cc2F)cs1 ZINC000183253174 374392731 /nfs/dbraw/zinc/39/27/31/374392731.db2.gz INDHAZSOIDXIFN-UHFFFAOYSA-N -1 3 280.324 3.364 20 0 CGADHM O=C(c1ccc2c(c1[O-])CCCC2)N1CCC2(CCC2)C1 ZINC000183172570 374379711 /nfs/dbraw/zinc/37/97/11/374379711.db2.gz BDRCCFWHMXGFMB-UHFFFAOYSA-N -1 3 285.387 3.287 20 0 CGADHM CC(=O)c1ccc(C(=O)Nc2cccc([O-])c2F)c(F)c1 ZINC000334143970 206066060 /nfs/dbraw/zinc/06/60/60/206066060.db2.gz GNSPQZDCTVOELJ-UHFFFAOYSA-N -1 3 291.253 3.125 20 0 CGADHM CCCC(O)(CCC)CC(=O)Nc1ccc([O-])cc1F ZINC000183247058 374390328 /nfs/dbraw/zinc/39/03/28/374390328.db2.gz DMGCTZZDTSHYBF-UHFFFAOYSA-N -1 3 283.343 3.191 20 0 CGADHM Cc1ccc(C(=O)N2CC(Cc3ccccc3C)C2)c([O-])c1 ZINC000085652309 541937949 /nfs/dbraw/zinc/93/79/49/541937949.db2.gz FXKLUBZFFQBKJV-UHFFFAOYSA-N -1 3 295.382 3.324 20 0 CGADHM COc1csc(C(=O)[N-]c2cc(F)cc(F)c2F)c1 ZINC000334379991 374699196 /nfs/dbraw/zinc/69/91/96/374699196.db2.gz IBKHQFMVEFBOMB-UHFFFAOYSA-N -1 3 287.262 3.426 20 0 CGADHM CCc1ccc([C@H](COC)NCc2cc([O-])cc(F)c2)o1 ZINC000185553843 374685990 /nfs/dbraw/zinc/68/59/90/374685990.db2.gz KDDFSUOHQBPMPB-HNNXBMFYSA-N -1 3 293.338 3.164 20 0 CGADHM NC(=O)c1ccc(F)c([N-]C(=O)c2sccc2F)c1 ZINC000334365962 374686959 /nfs/dbraw/zinc/68/69/59/374686959.db2.gz IJEATHZRUICZSG-UHFFFAOYSA-N -1 3 282.271 3.162 20 0 CGADHM Cc1ccc(C(=O)N2CC[C@@H](C(F)(F)F)[C@H]2C)c([O-])c1 ZINC000334430826 374745651 /nfs/dbraw/zinc/74/56/51/374745651.db2.gz JYVNFCPVDILLCP-MWLCHTKSSA-N -1 3 287.281 3.114 20 0 CGADHM CCc1csc([N-]C(=O)c2nnc(C(C)(C)C)s2)n1 ZINC000458302533 374755164 /nfs/dbraw/zinc/75/51/64/374755164.db2.gz LFHKKMHFINILQS-UHFFFAOYSA-N -1 3 296.421 3.107 20 0 CGADHM Cc1cnccc1C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000334441435 374755909 /nfs/dbraw/zinc/75/59/09/374755909.db2.gz ZYQGZKBHRGCKJB-UHFFFAOYSA-N -1 3 296.248 3.367 20 0 CGADHM CN(C(=O)Cc1ccc([O-])cc1Cl)C1CC(C)(C)C1 ZINC000458196195 374718520 /nfs/dbraw/zinc/71/85/20/374718520.db2.gz YCGQTFBDRSPDKU-UHFFFAOYSA-N -1 3 281.783 3.235 20 0 CGADHM CN(Cc1cccc(F)c1)Cc1cc([O-])cc(F)c1 ZINC000186158717 374805871 /nfs/dbraw/zinc/80/58/71/374805871.db2.gz SKPNJZDOXQKLJC-UHFFFAOYSA-N -1 3 263.287 3.302 20 0 CGADHM [O-]c1cc(F)cc(CN2CC[C@H](Nc3ccccc3)C2)c1 ZINC000186204434 374813579 /nfs/dbraw/zinc/81/35/79/374813579.db2.gz NONXGZPZEKAXRD-INIZCTEOSA-N -1 3 286.350 3.218 20 0 CGADHM Cc1cccc([O-])c1NC(=O)CCc1cccc2c1OCO2 ZINC000186305092 374830622 /nfs/dbraw/zinc/83/06/22/374830622.db2.gz DGLLFBLBGVYIAP-UHFFFAOYSA-N -1 3 299.326 3.001 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2[C@H](C)CCC[C@H]2C)c1 ZINC000094106939 541984928 /nfs/dbraw/zinc/98/49/28/541984928.db2.gz OEISGQYMEOVHPW-VXGBXAGGSA-N -1 3 261.365 3.358 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])[C@@H]1C[C@H]1C(F)(F)F ZINC000334683543 374974122 /nfs/dbraw/zinc/97/41/22/374974122.db2.gz VPDDHDUWPOKORX-RNFRBKRXSA-N -1 3 279.645 3.183 20 0 CGADHM CC(C)N(C)C(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000187696540 375075178 /nfs/dbraw/zinc/07/51/78/375075178.db2.gz SUNXCYQZGXRBDK-UHFFFAOYSA-N -1 3 297.354 3.104 20 0 CGADHM C[C@@H]1CCCC[C@H]1C(=O)Nc1ccc([O-])cc1F ZINC000335106686 375136389 /nfs/dbraw/zinc/13/63/89/375136389.db2.gz GNZXWFQKCHGFHI-MWLCHTKSSA-N -1 3 251.301 3.296 20 0 CGADHM O=S(=O)([N-][C@@H](c1ccccc1)C1CCC1)c1ccco1 ZINC000188672225 375252878 /nfs/dbraw/zinc/25/28/78/375252878.db2.gz SXNKAZJYVXKYBX-HNNXBMFYSA-N -1 3 291.372 3.099 20 0 CGADHM CCc1cc(C(=O)Nc2cc3c(cc2C)OCO3)ccc1[O-] ZINC000487166146 375202890 /nfs/dbraw/zinc/20/28/90/375202890.db2.gz XNKTWPOUYKDOLM-UHFFFAOYSA-N -1 3 299.326 3.244 20 0 CGADHM CCc1ccc(C(=O)N2CC[C@@H](C)[C@@H](C)C2)c([O-])c1 ZINC000188910375 375289648 /nfs/dbraw/zinc/28/96/48/375289648.db2.gz DNNDLWBZOXGMTF-NEPJUHHUSA-N -1 3 261.365 3.073 20 0 CGADHM CCc1cc(C(=O)N[C@@H]2CCC23CCCC3)ccc1[O-] ZINC000487617362 375261833 /nfs/dbraw/zinc/26/18/33/375261833.db2.gz JNBLSCBDVSJJSE-OAHLLOKOSA-N -1 3 273.376 3.407 20 0 CGADHM C/C=C/C=C/C(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000492019316 375396754 /nfs/dbraw/zinc/39/67/54/375396754.db2.gz OHLKELGFSBLLQG-MQQKCMAXSA-N -1 3 287.237 3.362 20 0 CGADHM O=C(Nc1cc(C(F)(F)F)ccc1[O-])[C@@H]1CCSC1 ZINC000335734620 375387638 /nfs/dbraw/zinc/38/76/38/375387638.db2.gz GZFYUEUUKYPLMA-SSDOTTSWSA-N -1 3 291.294 3.103 20 0 CGADHM CC(C)C1(C)CCN(C(=O)c2ccccc2[O-])CC1 ZINC000190348222 375497598 /nfs/dbraw/zinc/49/75/98/375497598.db2.gz NZFRAOZNMBEKNU-UHFFFAOYSA-N -1 3 261.365 3.291 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)C2CCCCC2)c1-c1ccccc1 ZINC000335967520 375578945 /nfs/dbraw/zinc/57/89/45/375578945.db2.gz OABBCGPGPQVMSD-UHFFFAOYSA-N -1 3 283.375 3.326 20 0 CGADHM CC(C)CCCN1CCc2c(cccc2C(=O)[O-])C1 ZINC000124542749 542032508 /nfs/dbraw/zinc/03/25/08/542032508.db2.gz UWOCILUZEAVZHA-UHFFFAOYSA-N -1 3 261.365 3.179 20 0 CGADHM CC(C)(C)OC(=O)CCC(=O)Nc1cc(Cl)ccc1[O-] ZINC000192438469 375748995 /nfs/dbraw/zinc/74/89/95/375748995.db2.gz HVOFCILWUUEXRY-UHFFFAOYSA-N -1 3 299.754 3.106 20 0 CGADHM [O-]c1ccc(F)c(CN2CC[C@@H]2Cc2ccccc2)c1F ZINC000508811775 375762339 /nfs/dbraw/zinc/76/23/39/375762339.db2.gz LSNSXSBSMKLQKR-CYBMUJFWSA-N -1 3 289.325 3.487 20 0 CGADHM CC[C@@H]1CCCN([C@@H](C)c2nc(C)cc(=O)[n-]2)CC1 ZINC000192594723 375768123 /nfs/dbraw/zinc/76/81/23/375768123.db2.gz NWBVPXLZYCJKDF-QWHCGFSZSA-N -1 3 263.385 3.064 20 0 CGADHM O=C(c1cccc([O-])c1)N1CCC[C@H]1Cc1ccccc1 ZINC000192644882 375774890 /nfs/dbraw/zinc/77/48/90/375774890.db2.gz LEGKBKMGSCSDMA-INIZCTEOSA-N -1 3 281.355 3.240 20 0 CGADHM O=C(c1ccnc(C2CC2)c1)N1CCCc2cccc([O-])c21 ZINC000336479656 375798308 /nfs/dbraw/zinc/79/83/08/375798308.db2.gz SWDRPHQRPSLMGL-UHFFFAOYSA-N -1 3 294.354 3.258 20 0 CGADHM Cc1sccc1CC(=O)N1CCCc2cccc([O-])c21 ZINC000336541189 375818027 /nfs/dbraw/zinc/81/80/27/375818027.db2.gz WGDVBOHUAFMBHD-UHFFFAOYSA-N -1 3 287.384 3.284 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N(C)CC2(c3ccccc3)CC2)n1 ZINC000192803323 375790946 /nfs/dbraw/zinc/79/09/46/375790946.db2.gz GGJPRIKRSQSCPM-AWEZNQCLSA-N -1 3 297.402 3.215 20 0 CGADHM COc1ccc(C(=O)Nc2c(C)cccc2[O-])c(C)c1 ZINC000336618953 375880882 /nfs/dbraw/zinc/88/08/82/375880882.db2.gz QABHAHKPIRAJNN-UHFFFAOYSA-N -1 3 271.316 3.270 20 0 CGADHM CCC[C@](C)(NCc1ccsc1Cl)C(=O)[O-] ZINC000336750032 375929365 /nfs/dbraw/zinc/92/93/65/375929365.db2.gz UNTTYUZRTHGQSY-NSHDSACASA-N -1 3 261.774 3.135 20 0 CGADHM Cc1cccc([O-])c1NC(=O)CCc1cccc(N(C)C)c1 ZINC000194539002 376015923 /nfs/dbraw/zinc/01/59/23/376015923.db2.gz RCLZEMUSPGZOPL-UHFFFAOYSA-N -1 3 298.386 3.338 20 0 CGADHM [O-]c1cccc(CNCc2ccc(F)cc2)c1Cl ZINC000336885871 376019327 /nfs/dbraw/zinc/01/93/27/376019327.db2.gz BCKHXHZWRYHCMY-UHFFFAOYSA-N -1 3 265.715 3.475 20 0 CGADHM O=C(c1ccc2c(c1[O-])CCCC2)N1CCC12CCC2 ZINC000436964610 296238957 /nfs/dbraw/zinc/23/89/57/296238957.db2.gz MNGCIPZTKBDITD-UHFFFAOYSA-N -1 3 271.360 3.040 20 0 CGADHM CCC(CC)C(=O)N=c1cc(-c2ccccc2C)[n-][nH]1 ZINC000538220482 376226731 /nfs/dbraw/zinc/22/67/31/376226731.db2.gz ONVOYHLOKXCMOQ-UHFFFAOYSA-N -1 3 271.364 3.182 20 0 CGADHM [O-]c1cc(F)cc(CNCc2ccc(F)cc2F)c1 ZINC000223125003 376246160 /nfs/dbraw/zinc/24/61/60/376246160.db2.gz UYTZUTPFQPSBOW-UHFFFAOYSA-N -1 3 267.250 3.099 20 0 CGADHM Cc1ccc([O-])c(CN2CCCc3c(F)cccc32)n1 ZINC000540952606 376407763 /nfs/dbraw/zinc/40/77/63/376407763.db2.gz MDYHQDATSIZYPF-UHFFFAOYSA-N -1 3 272.323 3.188 20 0 CGADHM CCCCn1c(=O)[n-]nc1S[C@@H]1CC[C@@H](C)C1 ZINC000338524882 376411024 /nfs/dbraw/zinc/41/10/24/376411024.db2.gz HVHPEIBKPNXLDG-NXEZZACHSA-N -1 3 255.387 3.065 20 0 CGADHM CCC(CC)(OC)c1noc(-c2cc(OC)ccc2[O-])n1 ZINC000227833994 376415362 /nfs/dbraw/zinc/41/53/62/376415362.db2.gz XNKLTQWTNAERDD-UHFFFAOYSA-N -1 3 292.335 3.113 20 0 CGADHM C[C@@H]1C[C@H]1c1ccc(CN2CCC[C@@H](CC(=O)[O-])C2)o1 ZINC000226420155 376358371 /nfs/dbraw/zinc/35/83/71/376358371.db2.gz AKTZPCOCLHGNFG-MBNYWOFBSA-N -1 3 277.364 3.090 20 0 CGADHM CCC(CC)CNC(=O)Cc1ccc([O-])cc1Cl ZINC000133090847 542078542 /nfs/dbraw/zinc/07/85/42/542078542.db2.gz WWAWYBCRCLYHHV-UHFFFAOYSA-N -1 3 269.772 3.141 20 0 CGADHM Cc1cc(C(=O)N2CCC[C@@H]3CCC[C@@H]32)ccc1[O-] ZINC000226717957 376369977 /nfs/dbraw/zinc/36/99/77/376369977.db2.gz MGAQWASAOGSLFU-JSGCOSHPSA-N -1 3 259.349 3.105 20 0 CGADHM Cc1cc(C(=O)Nc2nc3c(s2)CCCC3)ccc1[O-] ZINC000226715603 376370344 /nfs/dbraw/zinc/37/03/44/376370344.db2.gz RQWYITXLZCKQHF-UHFFFAOYSA-N -1 3 288.372 3.288 20 0 CGADHM CC[C@@H](NCCCCC(=O)[O-])c1cc(F)ccc1F ZINC000263576017 190069494 /nfs/dbraw/zinc/06/94/94/190069494.db2.gz PWFDLCMJGICVST-CYBMUJFWSA-N -1 3 271.307 3.260 20 0 CGADHM CCC[C@@H](C(=O)Nc1nc(C)ccc1[O-])C(C)C ZINC000541514649 376452986 /nfs/dbraw/zinc/45/29/86/376452986.db2.gz KWQLSVNBVLPIOD-LLVKDONJSA-N -1 3 250.342 3.106 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CCC[C@@H]2c2cccnc2)c1 ZINC000334288990 206315338 /nfs/dbraw/zinc/31/53/38/206315338.db2.gz KTGZSOMHLKDOEX-MRXNPFEDSA-N -1 3 296.370 3.327 20 0 CGADHM C[C@H]1CC[C@@H](CNC(=O)c2cc([O-])ccc2Cl)C1 ZINC000230429030 376518945 /nfs/dbraw/zinc/51/89/45/376518945.db2.gz VNADGRIBQVQBTB-VHSXEESVSA-N -1 3 267.756 3.212 20 0 CGADHM Cc1ccc([O-])c(CNC(C)(C)c2ccccc2)n1 ZINC000264045700 190090429 /nfs/dbraw/zinc/09/04/29/190090429.db2.gz KLBBDSMMPUDIGB-UHFFFAOYSA-N -1 3 256.349 3.121 20 0 CGADHM CC1(C)CN(C(=O)c2cc([O-])ccc2Cl)CC(C)(C)O1 ZINC000232797901 376590545 /nfs/dbraw/zinc/59/05/45/376590545.db2.gz TVOWYHJSHJYOSK-UHFFFAOYSA-N -1 3 297.782 3.075 20 0 CGADHM C[C@H]1CCCC[C@H]1NC(=O)c1cc([O-])ccc1Cl ZINC000235577221 376646268 /nfs/dbraw/zinc/64/62/68/376646268.db2.gz KUNUYVAJHJHWCV-TVQRCGJNSA-N -1 3 267.756 3.354 20 0 CGADHM C[C@H]1CCCN(Cc2cccc(Cl)c2F)[C@@H]1C(=O)[O-] ZINC000235669828 376649192 /nfs/dbraw/zinc/64/91/92/376649192.db2.gz TXINGRPCYIUHHD-ZANVPECISA-N -1 3 285.746 3.164 20 0 CGADHM O=C(NCCc1ccccc1)c1cc([O-])ccc1Cl ZINC000236613344 376672989 /nfs/dbraw/zinc/67/29/89/376672989.db2.gz QLOQTCJVDLAJGZ-UHFFFAOYSA-N -1 3 275.735 3.018 20 0 CGADHM Cc1ccc(C(=O)N2CC[C@H](c3ccccc3F)C2)c([O-])c1 ZINC000264503978 190114651 /nfs/dbraw/zinc/11/46/51/190114651.db2.gz ZURATYVGWQDTEV-ZDUSSCGKSA-N -1 3 299.345 3.469 20 0 CGADHM COC(C)(C)C[C@@H](C)NCc1cccc([O-])c1Cl ZINC000339283562 376743708 /nfs/dbraw/zinc/74/37/08/376743708.db2.gz NKILPZDUKBHVPL-SNVBAGLBSA-N -1 3 271.788 3.339 20 0 CGADHM O=C1[C@H]([N-]c2nc3ccccc3o2)CCN1C1CCCCC1 ZINC000151504405 542101927 /nfs/dbraw/zinc/10/19/27/542101927.db2.gz FRNCAJOCIDAZRO-CQSZACIVSA-N -1 3 299.374 3.173 20 0 CGADHM O=c1[n-]c(-c2ccc(C(F)(F)F)cc2)nc2cccnc21 ZINC000147314031 542096581 /nfs/dbraw/zinc/09/65/81/542096581.db2.gz QYLSEZWPDFKNBA-UHFFFAOYSA-N -1 3 291.232 3.004 20 0 CGADHM O=C([O-])c1cnc2ccccc2c1N1C[C@@H]2CCC[C@@H]2C1 ZINC000158184678 542141679 /nfs/dbraw/zinc/14/16/79/542141679.db2.gz QLZGTQWGYVWXFL-TXEJJXNPSA-N -1 3 282.343 3.169 20 0 CGADHM O=C(Nc1c([O-])cccc1Cl)[C@@H]1CC=CCC1 ZINC000557182245 376923882 /nfs/dbraw/zinc/92/38/82/376923882.db2.gz MHWMQGPYRKGJDU-SECBINFHSA-N -1 3 251.713 3.340 20 0 CGADHM C[C@@H](CC(=O)N=c1cc2ccccn2[n-]1)c1ccccc1F ZINC000557532718 376941826 /nfs/dbraw/zinc/94/18/26/376941826.db2.gz FLNKYTBWHXFHSB-LBPRGKRZSA-N -1 3 297.333 3.028 20 0 CGADHM CCOc1ccc(F)c([N-]C(=O)c2scnc2C)c1F ZINC000340422724 377049391 /nfs/dbraw/zinc/04/93/91/377049391.db2.gz CRPGQFAYZXDHRB-UHFFFAOYSA-N -1 3 298.314 3.381 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)C2(C(=O)C3CC3)CC2)c1[O-] ZINC000560133119 377122407 /nfs/dbraw/zinc/12/24/07/377122407.db2.gz QDVZFCZAFUKPSK-UHFFFAOYSA-N -1 3 293.750 3.052 20 0 CGADHM COc1ccc([O-])c(C(=O)N2[C@H](C)C[C@H]3CCCC[C@H]32)c1 ZINC000246799123 377091431 /nfs/dbraw/zinc/09/14/31/377091431.db2.gz PBPXLCXSNKNMQV-LALPHHSUSA-N -1 3 289.375 3.194 20 0 CGADHM CSc1cc(O)ccc1[N-]C(=O)c1ncoc1C1CC1 ZINC000560442947 377150339 /nfs/dbraw/zinc/15/03/39/377150339.db2.gz NFUMMBRRKQTPIO-UHFFFAOYSA-N -1 3 290.344 3.232 20 0 CGADHM CCO[N-]C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl ZINC000264821126 190136894 /nfs/dbraw/zinc/13/68/94/190136894.db2.gz XRNJBDULDKPQIT-DTWKUNHWSA-N -1 3 274.147 3.165 20 0 CGADHM CCCc1ccc(-c2cc(=NC(=O)c3ccoc3)[nH][n-]2)cc1 ZINC000340763874 377248442 /nfs/dbraw/zinc/24/84/42/377248442.db2.gz ASYMLELVIFUKMI-UHFFFAOYSA-N -1 3 295.342 3.296 20 0 CGADHM O=C([O-])C1(NCc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000340673560 377207332 /nfs/dbraw/zinc/20/73/32/377207332.db2.gz WIXYQAFJLGOYKL-UHFFFAOYSA-N -1 3 293.672 3.066 20 0 CGADHM Cc1cccc(-c2nc([C@@H]3CCCS3)no2)c1[O-] ZINC000161650351 542159502 /nfs/dbraw/zinc/15/95/02/542159502.db2.gz OLIYRKUSKDYDEP-JTQLQIEISA-N -1 3 262.334 3.319 20 0 CGADHM C[C@@H]1CC[C@H](NC(=O)NCc2ccc([O-])c(F)c2)C[C@H]1C ZINC000248646550 377373436 /nfs/dbraw/zinc/37/34/36/377373436.db2.gz SRGCNXBGTDFDNX-WZRBSPASSA-N -1 3 294.370 3.155 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N2CC[C@H](c3ccccc3)[C@H]2C)n1 ZINC000248737601 377391948 /nfs/dbraw/zinc/39/19/48/377391948.db2.gz LHCUDLMNLYHPRR-YCPHGPKFSA-N -1 3 297.402 3.430 20 0 CGADHM C[C@H]1C[C@H](C(=O)NCc2ccc([O-])c(F)c2)C[C@@H](C)C1 ZINC000248585535 377357744 /nfs/dbraw/zinc/35/77/44/377357744.db2.gz QVFACBMCMFFOAK-PJXYFTJBSA-N -1 3 279.355 3.220 20 0 CGADHM O=C(Nc1ccncc1)c1c[n-]nc1-c1cccc(Cl)c1 ZINC000087006921 249020421 /nfs/dbraw/zinc/02/04/21/249020421.db2.gz PDESABSJZYDHDB-UHFFFAOYSA-N -1 3 298.733 3.377 20 0 CGADHM Cc1ccc(CN(C)C)cc1NC(=O)c1ccccc1[O-] ZINC000092229091 249033038 /nfs/dbraw/zinc/03/30/38/249033038.db2.gz UMMCLBWELYJLDO-UHFFFAOYSA-N -1 3 284.359 3.015 20 0 CGADHM [O-]c1ccc(-c2noc(Cc3ccc(F)c(F)c3)n2)cc1 ZINC000094928845 249043250 /nfs/dbraw/zinc/04/32/50/249043250.db2.gz PMFOWJHTQSWSOM-UHFFFAOYSA-N -1 3 288.253 3.311 20 0 CGADHM Cc1ccc(-c2nnc(NC(=O)C[C@@H]3C=CCCC3)[n-]2)o1 ZINC000188438043 249057540 /nfs/dbraw/zinc/05/75/40/249057540.db2.gz XGCKOWDNUCFRAM-LLVKDONJSA-N -1 3 286.335 3.058 20 0 CGADHM Cc1ccc(-c2n[n-]c(NC(=O)C[C@@H]3C=CCCC3)n2)o1 ZINC000188438043 249057544 /nfs/dbraw/zinc/05/75/44/249057544.db2.gz XGCKOWDNUCFRAM-LLVKDONJSA-N -1 3 286.335 3.058 20 0 CGADHM Cc1ccc(-c2nc(NC(=O)C[C@@H]3C=CCCC3)n[n-]2)o1 ZINC000188438043 249057546 /nfs/dbraw/zinc/05/75/46/249057546.db2.gz XGCKOWDNUCFRAM-LLVKDONJSA-N -1 3 286.335 3.058 20 0 CGADHM CC[C@@H]1CCN(Cc2cccc([O-])c2Br)C1 ZINC000315237430 249098201 /nfs/dbraw/zinc/09/82/01/249098201.db2.gz IBJVXDYUGFPLLG-SNVBAGLBSA-N -1 3 284.197 3.387 20 0 CGADHM C[C@H](NCc1cccc([O-])c1Br)C(C)(F)F ZINC000315200003 249098365 /nfs/dbraw/zinc/09/83/65/249098365.db2.gz DBPNXFQRNXANGE-ZETCQYMHSA-N -1 3 294.139 3.288 20 0 CGADHM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1c(F)cccc1F ZINC000250792403 377566053 /nfs/dbraw/zinc/56/60/53/377566053.db2.gz SPECHMCNBPBYMB-VQISRLSMSA-N -1 3 295.329 3.183 20 0 CGADHM CCC1(CC)[C@H](OC)C[C@H]1N(C)Cc1occc1C(=O)[O-] ZINC000517036106 249254727 /nfs/dbraw/zinc/25/47/27/249254727.db2.gz YREGBNWRIMVMQP-ZIAGYGMSSA-N -1 3 295.379 3.003 20 0 CGADHM CCCC[C@H](C(=O)[O-])N1CCc2sc(Cl)cc2C1 ZINC000574696804 377695771 /nfs/dbraw/zinc/69/57/71/377695771.db2.gz ADPJLTGLYUYALD-SNVBAGLBSA-N -1 3 287.812 3.403 20 0 CGADHM CCN(Cc1cc(C(=O)[O-])co1)[C@H](C)Cc1ccsc1 ZINC000574697715 377697233 /nfs/dbraw/zinc/69/72/33/377697233.db2.gz YHLWXDLOGQLJLC-LLVKDONJSA-N -1 3 293.388 3.492 20 0 CGADHM CCC[C@H](CC)S(=O)(=O)[N-]c1cccc2[nH]ccc21 ZINC000574747393 377703581 /nfs/dbraw/zinc/70/35/81/377703581.db2.gz FOZWKZBUKXNNBE-NSHDSACASA-N -1 3 280.393 3.488 20 0 CGADHM Cc1ccc(NC(=O)/C=C\c2nc3ccccc3o2)c([O-])c1 ZINC000254943194 377716949 /nfs/dbraw/zinc/71/69/49/377716949.db2.gz XZRWKZDCGOYFLG-HJWRWDBZSA-N -1 3 294.310 3.494 20 0 CGADHM Cc1ccc(C)c(NC(=O)/C=C\c2cncc([O-])c2)c1 ZINC000255162953 377738227 /nfs/dbraw/zinc/73/82/27/377738227.db2.gz HVNXACAHXGIRTH-WAYWQWQTSA-N -1 3 268.316 3.056 20 0 CGADHM Cc1ncc(/C=C\C(=O)Nc2ccc(C)cc2[O-])s1 ZINC000255228187 377743513 /nfs/dbraw/zinc/74/35/13/377743513.db2.gz SEUUSKFJGLICQJ-XQRVVYSFSA-N -1 3 274.345 3.117 20 0 CGADHM Cc1cccc(C(=O)N[C@@H]2CCc3c2cccc3F)c1[O-] ZINC000261376919 377809939 /nfs/dbraw/zinc/80/99/39/377809939.db2.gz PJYGIJRVLPVJNZ-OAHLLOKOSA-N -1 3 285.318 3.257 20 0 CGADHM CC(C)(CCNCc1c(F)cccc1Cl)C(=O)[O-] ZINC000261577162 377820889 /nfs/dbraw/zinc/82/08/89/377820889.db2.gz OEIQUGTUDYZQOP-UHFFFAOYSA-N -1 3 273.735 3.070 20 0 CGADHM CC(C)N(CC(=O)[O-])Cc1cc(C(F)(F)F)ccc1F ZINC000263526718 377944428 /nfs/dbraw/zinc/94/44/28/377944428.db2.gz UIEAZDFYTKECKM-UHFFFAOYSA-N -1 3 293.260 3.140 20 0 CGADHM C[C@@H](NCCCCC(=O)[O-])c1ccc(F)cc1Cl ZINC000263580417 377948494 /nfs/dbraw/zinc/94/84/94/377948494.db2.gz VYRCEYKLHXWYSV-SECBINFHSA-N -1 3 273.735 3.385 20 0 CGADHM C[C@@H]1c2cc(Cl)cc(Cl)c2CCN1CCC(=O)[O-] ZINC000262903227 377911320 /nfs/dbraw/zinc/91/13/20/377911320.db2.gz XWGQMFOKAUSPLB-MRVPVSSYSA-N -1 3 288.174 3.387 20 0 CGADHM C[C@@H]1[C@H](C(=O)[O-])CCCN1Cc1ccccc1Cl ZINC000263008879 377913610 /nfs/dbraw/zinc/91/36/10/377913610.db2.gz BFTUVONKUQNRGJ-ZYHUDNBSSA-N -1 3 267.756 3.025 20 0 CGADHM Cc1oc(C(=O)[O-])cc1CN1CC[C@@](C)(c2ccccc2)C1 ZINC000575755178 377987042 /nfs/dbraw/zinc/98/70/42/377987042.db2.gz CVNRWTCVERNVKG-GOSISDBHSA-N -1 3 299.370 3.450 20 0 CGADHM Cc1ccc([O-])c(NC(=O)C2(C3CCC3)CCC2)n1 ZINC000578434973 378068895 /nfs/dbraw/zinc/06/88/95/378068895.db2.gz YKBRZLCYKKMICS-UHFFFAOYSA-N -1 3 260.337 3.005 20 0 CGADHM COc1cccc2c1n[n-]c2C(=O)Nc1cccc(C)c1C ZINC000577915559 378023030 /nfs/dbraw/zinc/02/30/30/378023030.db2.gz GQBSWNKRQCPRDC-UHFFFAOYSA-N -1 3 295.342 3.441 20 0 CGADHM COc1cccc2c(C(=O)Nc3cccc(C)c3C)n[n-]c21 ZINC000577915559 378023033 /nfs/dbraw/zinc/02/30/33/378023033.db2.gz GQBSWNKRQCPRDC-UHFFFAOYSA-N -1 3 295.342 3.441 20 0 CGADHM C[C@H]1CCCN1[C@H](C(=O)[O-])c1cccc(Br)c1 ZINC000579720705 378186689 /nfs/dbraw/zinc/18/66/89/378186689.db2.gz RLZGABGFQHVDLG-CABZTGNLSA-N -1 3 298.180 3.059 20 0 CGADHM CCCCO[C@@H](C)C(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000345126546 378200483 /nfs/dbraw/zinc/20/04/83/378200483.db2.gz HQIOXTDATKTHEE-STQMWFEESA-N -1 3 291.391 3.438 20 0 CGADHM O=C(CSc1ccncc1)Nc1c([O-])cccc1Cl ZINC000579896965 378206051 /nfs/dbraw/zinc/20/60/51/378206051.db2.gz XZSXKXIVFZUYQM-UHFFFAOYSA-N -1 3 294.763 3.171 20 0 CGADHM C[C@@H]1CCN(C(=O)CCOCC2CC2)c2c([O-])cccc21 ZINC000345159537 378208317 /nfs/dbraw/zinc/20/83/17/378208317.db2.gz MGIROASZDXEKOT-GFCCVEGCSA-N -1 3 289.375 3.049 20 0 CGADHM Cc1ncc(CN[C@@H](C)c2csc(Cl)c2)c(=O)[n-]1 ZINC000345273696 378240901 /nfs/dbraw/zinc/24/09/01/378240901.db2.gz BYWADIWQKKWGNW-ZETCQYMHSA-N -1 3 283.784 3.056 20 0 CGADHM Cc1ccccc1-c1cc(=NC(=O)C23CCC(CC2)C3)[nH][n-]1 ZINC000345282533 378243699 /nfs/dbraw/zinc/24/36/99/378243699.db2.gz FNBZHZMFSPDQQE-UHFFFAOYSA-N -1 3 295.386 3.326 20 0 CGADHM Cc1oc(CN(C)[C@@H]2CCc3ccccc3C2)cc1C(=O)[O-] ZINC000582306241 378302088 /nfs/dbraw/zinc/30/20/88/378302088.db2.gz HIDCIDKBOKNSLO-OAHLLOKOSA-N -1 3 299.370 3.276 20 0 CGADHM c1csc(-c2noc(-c3n[n-]nc3-c3ccccc3)n2)c1 ZINC000345646106 378332701 /nfs/dbraw/zinc/33/27/01/378332701.db2.gz KLJFELIWMFAKFM-UHFFFAOYSA-N -1 3 295.327 3.250 20 0 CGADHM C[C@H](CN1CCC[C@@H](CC(=O)[O-])C1)c1cc(F)cc(F)c1 ZINC000583919092 378357886 /nfs/dbraw/zinc/35/78/86/378357886.db2.gz PMLXDJZNEMZVFM-NEPJUHHUSA-N -1 3 297.345 3.255 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2cccc(F)c2Cl)n1 ZINC000345936436 378413796 /nfs/dbraw/zinc/41/37/96/378413796.db2.gz VHRWMTAKWGSKBW-UHFFFAOYSA-N -1 3 280.686 3.140 20 0 CGADHM CC(C)c1nn(C)cc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000270549481 378367338 /nfs/dbraw/zinc/36/73/38/378367338.db2.gz RFLRYYPZWLZAOX-UHFFFAOYSA-N -1 3 293.754 3.155 20 0 CGADHM CCc1cc(=O)[n-]c(CN2CCC[C@@H](CC(C)C)C2)n1 ZINC000345857055 378388165 /nfs/dbraw/zinc/38/81/65/378388165.db2.gz AVVBGNBHXXGRJM-ZDUSSCGKSA-N -1 3 277.412 3.003 20 0 CGADHM CCCc1csc(NC([O-])=NOC2CCCC2)n1 ZINC000271994932 378541449 /nfs/dbraw/zinc/54/14/49/378541449.db2.gz MDEDYJIJOOLDRT-UHFFFAOYSA-N -1 3 269.370 3.091 20 0 CGADHM CCCc1csc(NC(=O)[N-]OC2CCCC2)n1 ZINC000271994932 378541455 /nfs/dbraw/zinc/54/14/55/378541455.db2.gz MDEDYJIJOOLDRT-UHFFFAOYSA-N -1 3 269.370 3.091 20 0 CGADHM CCN(C(=O)c1ccc([O-])c(C)c1)[C@@H](C)c1cccnc1 ZINC000272395174 378627332 /nfs/dbraw/zinc/62/73/32/378627332.db2.gz HIXWMEZXDNCLHI-ZDUSSCGKSA-N -1 3 284.359 3.319 20 0 CGADHM CC[C@@](C)(NC(=O)c1ccc([O-])c(C)c1)c1nccs1 ZINC000272453142 378641694 /nfs/dbraw/zinc/64/16/94/378641694.db2.gz NSMVYZXBQHJPOE-OAHLLOKOSA-N -1 3 290.388 3.212 20 0 CGADHM Cc1cccc([O-])c1NC(=O)c1cccc([C@@H]2CCOC2)c1 ZINC000272581299 378669813 /nfs/dbraw/zinc/66/98/13/378669813.db2.gz WHRJBVQIFBNURB-OAHLLOKOSA-N -1 3 297.354 3.457 20 0 CGADHM Cc1cc(C(=O)N2CCC(OC(C)(C)C)CC2)ccc1[O-] ZINC000272673370 378686049 /nfs/dbraw/zinc/68/60/49/378686049.db2.gz QQVNUNNLRWKGCG-UHFFFAOYSA-N -1 3 291.391 3.120 20 0 CGADHM Cc1cc(C(=O)N[C@@H]2CCO[C@H](C(C)(C)C)C2)ccc1[O-] ZINC000272695475 378690414 /nfs/dbraw/zinc/69/04/14/378690414.db2.gz VDWYACBQJCULDF-HIFRSBDPSA-N -1 3 291.391 3.024 20 0 CGADHM CC(C)[C@@H]1C[C@H](CC(=O)[N-]OCc2ccccc2)CCO1 ZINC000272924354 378723939 /nfs/dbraw/zinc/72/39/39/378723939.db2.gz MDEXHHXSVOCGRL-CVEARBPZSA-N -1 3 291.391 3.076 20 0 CGADHM COC1(c2noc(-c3cc(Cl)c(Cl)[n-]3)n2)CCC1 ZINC000274034024 378767216 /nfs/dbraw/zinc/76/72/16/378767216.db2.gz OMOLXUSOIJQXGN-UHFFFAOYSA-N -1 3 288.134 3.397 20 0 CGADHM Cc1cc(CNCc2ncccc2[O-])ccc1Cl ZINC000348218451 378843338 /nfs/dbraw/zinc/84/33/38/378843338.db2.gz JVQWNIIKQUAULE-UHFFFAOYSA-N -1 3 262.740 3.039 20 0 CGADHM O=C(/C=C/c1ccc(Cl)s1)[N-]OCCC(F)(F)F ZINC000275094494 378936041 /nfs/dbraw/zinc/93/60/41/378936041.db2.gz RTHZXODCLHHEIF-DUXPYHPUSA-N -1 3 299.701 3.415 20 0 CGADHM Cc1cc(C(=O)N[C@H]2CCCO[C@H]2CC(C)C)ccc1[O-] ZINC000274855861 378907596 /nfs/dbraw/zinc/90/75/96/378907596.db2.gz QKFJGLQHWUKQAG-HOCLYGCPSA-N -1 3 291.391 3.024 20 0 CGADHM CCCN(C(=O)c1c[n-]c2ccc(C)cc2c1=O)C1CC1 ZINC000278581258 194053931 /nfs/dbraw/zinc/05/39/31/194053931.db2.gz BPVBCRGCJSYGRD-UHFFFAOYSA-N -1 3 284.359 3.263 20 0 CGADHM O=C([O-])CCCCCNCc1cc(Cl)cc2c1OCC2 ZINC000276933535 379024556 /nfs/dbraw/zinc/02/45/56/379024556.db2.gz BUOUHXOVMQZQFK-UHFFFAOYSA-N -1 3 297.782 3.010 20 0 CGADHM C[C@@H]1CCC[C@H](CC(=O)Nc2nnc(-c3ccco3)[n-]2)C1 ZINC000347393561 218220372 /nfs/dbraw/zinc/22/03/72/218220372.db2.gz WFYOEJSAGHTDEX-MNOVXSKESA-N -1 3 288.351 3.220 20 0 CGADHM C[C@@H]1CCC[C@H](CC(=O)Nc2nc(-c3ccco3)n[n-]2)C1 ZINC000347393561 218220373 /nfs/dbraw/zinc/22/03/73/218220373.db2.gz WFYOEJSAGHTDEX-MNOVXSKESA-N -1 3 288.351 3.220 20 0 CGADHM C[C@@H]1CCC[C@H](CC(=O)Nc2n[n-]c(-c3ccco3)n2)C1 ZINC000347393561 218220375 /nfs/dbraw/zinc/22/03/75/218220375.db2.gz WFYOEJSAGHTDEX-MNOVXSKESA-N -1 3 288.351 3.220 20 0 CGADHM Cc1c(C(=O)N2CC[C@H](C)c3cccc([O-])c32)ccn1C ZINC000192595472 542267151 /nfs/dbraw/zinc/26/71/51/542267151.db2.gz RSSIJERYJIMRKS-NSHDSACASA-N -1 3 284.359 3.193 20 0 CGADHM COc1cccc(Cl)c1CN(C)[C@@H](CC(C)C)C(=O)[O-] ZINC000569981618 322262249 /nfs/dbraw/zinc/26/22/49/322262249.db2.gz LBFQDEOMWPRNSB-ZDUSSCGKSA-N -1 3 299.798 3.280 20 0 CGADHM O=C(Nc1ccc([O-])cc1F)[C@@H]1CC12CCSCC2 ZINC000334577461 206744938 /nfs/dbraw/zinc/74/49/38/206744938.db2.gz NDSLTAULLXAKSY-JTQLQIEISA-N -1 3 281.352 3.003 20 0 CGADHM CCC[C@H](C)CC(=O)N1CCCc2cccc([O-])c21 ZINC000347642734 218303084 /nfs/dbraw/zinc/30/30/84/218303084.db2.gz BEFUYUSTBQTJIA-LBPRGKRZSA-N -1 3 261.365 3.498 20 0 CGADHM C[C@@H]1C[C@H](C)CN(Cc2c(F)ccc([O-])c2F)C1 ZINC000350148529 379520417 /nfs/dbraw/zinc/52/04/17/379520417.db2.gz RWRAWPCEWBIBJV-AOOOYVTPSA-N -1 3 255.308 3.148 20 0 CGADHM COC(=O)c1ccc(-c2nc([C@H]3CCC[C@H](C)C3)no2)[n-]1 ZINC000350505213 379553357 /nfs/dbraw/zinc/55/33/57/379553357.db2.gz ARGHNFKMXAWFFS-UWVGGRQHSA-N -1 3 289.335 3.145 20 0 CGADHM [O-]c1ccc(-c2noc(CSCc3ccncc3)n2)cc1 ZINC000350566392 379562197 /nfs/dbraw/zinc/56/21/97/379562197.db2.gz BOZWDTRPURABEC-UHFFFAOYSA-N -1 3 299.355 3.271 20 0 CGADHM Cc1ccc(Cc2noc(-c3cccc(C)c3[O-])n2)cn1 ZINC000350569930 379564086 /nfs/dbraw/zinc/56/40/86/379564086.db2.gz MTNSHQSMYSIMFY-UHFFFAOYSA-N -1 3 281.315 3.045 20 0 CGADHM Cc1ccc(-c2nc(-c3cncs3)no2)c([O-])c1C ZINC000350899885 379605862 /nfs/dbraw/zinc/60/58/62/379605862.db2.gz KLEDRZUFEHLJOT-UHFFFAOYSA-N -1 3 273.317 3.183 20 0 CGADHM [O-]c1ccc(Cl)c(CN2CCC[C@H]2c2ncccn2)c1 ZINC000639843191 379609345 /nfs/dbraw/zinc/60/93/45/379609345.db2.gz ASDIPGCOLPTBPP-AWEZNQCLSA-N -1 3 289.766 3.173 20 0 CGADHM O=C(CC1CCC(F)(F)CC1)Nc1cccc2n[n-]nc21 ZINC000640379423 379780940 /nfs/dbraw/zinc/78/09/40/379780940.db2.gz NHJYKQUOXOJNGE-UHFFFAOYSA-N -1 3 294.305 3.112 20 0 CGADHM CC[C@@H](C)[C@H](C(=O)NCc1ncccc1[O-])c1ccccc1 ZINC000352502635 379838503 /nfs/dbraw/zinc/83/85/03/379838503.db2.gz WZIHUODGUICPSP-DYVFJYSZSA-N -1 3 298.386 3.233 20 0 CGADHM CC(C)(C)c1ccc(C(=O)NCc2ncccc2[O-])cc1 ZINC000352511446 379841189 /nfs/dbraw/zinc/84/11/89/379841189.db2.gz XPTURFDXIGJIJP-UHFFFAOYSA-N -1 3 284.359 3.015 20 0 CGADHM CCCc1cc(C(=O)NCc2ncccc2[O-])sc1C ZINC000352510569 379841957 /nfs/dbraw/zinc/84/19/57/379841957.db2.gz UBIMDWUPMMRMLO-UHFFFAOYSA-N -1 3 290.388 3.040 20 0 CGADHM C[C@@H](C1CCCCC1)N(C)C(=O)c1ccc(O)cc1[O-] ZINC000283686275 380082436 /nfs/dbraw/zinc/08/24/36/380082436.db2.gz TWRMOYUZADGKKV-NSHDSACASA-N -1 3 277.364 3.139 20 0 CGADHM Cc1cscc1[N-]S(=O)(=O)CCC1CCCC1 ZINC000641685587 380046294 /nfs/dbraw/zinc/04/62/94/380046294.db2.gz LKQAGFCOCTWGNI-UHFFFAOYSA-N -1 3 273.423 3.379 20 0 CGADHM Cc1ccc(NC(=O)c2cc3ccsc3[nH]2)c([O-])c1 ZINC000642001438 380129725 /nfs/dbraw/zinc/12/97/25/380129725.db2.gz DRVYCTXTJNPPPR-UHFFFAOYSA-N -1 3 272.329 3.496 20 0 CGADHM COc1ccc(S[C@@H](C)c2nc(C)cc(=O)[n-]2)cc1 ZINC000268349061 190397107 /nfs/dbraw/zinc/39/71/07/190397107.db2.gz QKZFQTZOOFEELD-JTQLQIEISA-N -1 3 276.361 3.353 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)Sc2cccs2)n1 ZINC000268363319 190397905 /nfs/dbraw/zinc/39/79/05/190397905.db2.gz TVNNKMBLSXMBCF-MRVPVSSYSA-N -1 3 252.364 3.405 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)[C@@H]2CCCSC2)c1[O-] ZINC000354444186 380441257 /nfs/dbraw/zinc/44/12/57/380441257.db2.gz YAJQSFJXKGWNEL-SECBINFHSA-N -1 3 285.796 3.436 20 0 CGADHM CCc1cc(C(=O)NC[C@H]2Cc3ccccc32)ccc1[O-] ZINC000643952661 380399139 /nfs/dbraw/zinc/39/91/39/380399139.db2.gz OSNLYYMKJITKIE-OAHLLOKOSA-N -1 3 281.355 3.024 20 0 CGADHM Cc1ccc(C2(C(=O)Nc3ncccc3[O-])CCC2)cc1 ZINC000644702744 380489982 /nfs/dbraw/zinc/48/99/82/380489982.db2.gz MMRYUUAHSNIBMU-UHFFFAOYSA-N -1 3 282.343 3.156 20 0 CGADHM CCc1ccc(NCc2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC000416996647 380557991 /nfs/dbraw/zinc/55/79/91/380557991.db2.gz JMEDDSUIUNSJBC-UHFFFAOYSA-N -1 3 269.348 3.234 20 0 CGADHM Cc1cc(CN[C@@H](CC(=O)[O-])c2ccsc2)cs1 ZINC000417526371 380632882 /nfs/dbraw/zinc/63/28/82/380632882.db2.gz CFJNSOQUQJWJEY-LBPRGKRZSA-N -1 3 281.402 3.424 20 0 CGADHM Cc1cccc(CNCCCC(C)(C)C(=O)[O-])c1F ZINC000417571357 380641501 /nfs/dbraw/zinc/64/15/01/380641501.db2.gz SYQLUVJEIZMMFK-UHFFFAOYSA-N -1 3 267.344 3.115 20 0 CGADHM Cc1cccc(C)c1[C@H](C)NC(=O)c1ccc2n[n-]nc2c1 ZINC000355155659 380602744 /nfs/dbraw/zinc/60/27/44/380602744.db2.gz CZURYKNOMSAWIV-LBPRGKRZSA-N -1 3 294.358 3.066 20 0 CGADHM Cc1ccc([O-])c(CN2CC=C(C(C)(C)C)CC2)n1 ZINC000355194946 380618331 /nfs/dbraw/zinc/61/83/31/380618331.db2.gz WQVVAJDBFPFDJV-UHFFFAOYSA-N -1 3 260.381 3.274 20 0 CGADHM C[C@H](NCc1c(Cl)oc2ccccc21)[C@H](C)C(=O)[O-] ZINC000417609357 380650572 /nfs/dbraw/zinc/65/05/72/380650572.db2.gz KLFMIGTYDXBQAS-IUCAKERBSA-N -1 3 281.739 3.285 20 0 CGADHM C[C@@H](CNCc1cc(Cl)sc1Cl)CC(=O)[O-] ZINC000417628691 380656379 /nfs/dbraw/zinc/65/63/79/380656379.db2.gz WGASGMBQOUNPPC-ZCFIWIBFSA-N -1 3 282.192 3.255 20 0 CGADHM CCOc1ccc(N(CC)C(=O)c2cccc([O-])c2)cc1 ZINC000357191828 381063321 /nfs/dbraw/zinc/06/33/21/381063321.db2.gz RHDFDBYJAVKGNR-UHFFFAOYSA-N -1 3 285.343 3.458 20 0 CGADHM CC[C@H](NC(=O)Cc1ccc([O-])cc1Cl)C(C)C ZINC000357351274 381121472 /nfs/dbraw/zinc/12/14/72/381121472.db2.gz XKEGUUKLTQIMSY-ZDUSSCGKSA-N -1 3 269.772 3.139 20 0 CGADHM O=C(c1cccc([O-])c1)N(Cc1ccccc1)CC(F)F ZINC000357370727 381132028 /nfs/dbraw/zinc/13/20/28/381132028.db2.gz USMUJDNKCQPMOR-UHFFFAOYSA-N -1 3 291.297 3.300 20 0 CGADHM COc1cc(C(=O)N(C)[C@@H](C)c2ccccc2)ccc1[O-] ZINC000357580045 381217018 /nfs/dbraw/zinc/21/70/18/381217018.db2.gz HHFVGPYFSGRNOQ-LBPRGKRZSA-N -1 3 285.343 3.234 20 0 CGADHM COc1cc(C(=O)N(C)[C@H](C)c2ccccc2)ccc1[O-] ZINC000357580044 381217079 /nfs/dbraw/zinc/21/70/79/381217079.db2.gz HHFVGPYFSGRNOQ-GFCCVEGCSA-N -1 3 285.343 3.234 20 0 CGADHM CC1(C)CCC[C@@H]1C(=O)Nc1cc(F)ccc1[O-] ZINC000357634562 381234397 /nfs/dbraw/zinc/23/43/97/381234397.db2.gz KIWSEXWRNAGIFE-SNVBAGLBSA-N -1 3 251.301 3.296 20 0 CGADHM CC[C@H](C(=O)[O-])N1CCC[C@H]1c1ccc(C)s1 ZINC000358350701 381304763 /nfs/dbraw/zinc/30/47/63/381304763.db2.gz DXQVDPOZWGFPJC-MNOVXSKESA-N -1 3 253.367 3.057 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-]CC2(C)CCC(C)CC2)o1 ZINC000360209118 381479084 /nfs/dbraw/zinc/47/90/84/381479084.db2.gz YERYMJVICKKTKT-UHFFFAOYSA-N -1 3 285.409 3.083 20 0 CGADHM CC(F)(F)C(=O)[N-][C@@H]1C[C@H]1c1ccc(Cl)c(F)c1 ZINC000289150316 197248222 /nfs/dbraw/zinc/24/82/22/197248222.db2.gz HOJCQVAUOUIIQX-OIBJUYFYSA-N -1 3 277.673 3.106 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N2CCC[C@@H](C(C)(C)C)C2)n1 ZINC000361547408 381797348 /nfs/dbraw/zinc/79/73/48/381797348.db2.gz FOTVFHGZVGXVQR-QWHCGFSZSA-N -1 3 277.412 3.310 20 0 CGADHM CC[C@H]1CN(Cc2nc(C)ccc2[O-])c2ccccc2O1 ZINC000362093725 381882028 /nfs/dbraw/zinc/88/20/28/381882028.db2.gz FTLKRRXLQLMXKZ-ZDUSSCGKSA-N -1 3 284.359 3.273 20 0 CGADHM Cc1cccc2c(=O)c(C(=O)N3CCCC[C@@H](C)C3)c[n-]c12 ZINC000361755429 381868314 /nfs/dbraw/zinc/86/83/14/381868314.db2.gz QPFLSWOPWMMYSC-GFCCVEGCSA-N -1 3 298.386 3.099 20 0 CGADHM CCc1cc(C(=O)N2CC[C@](C)(CC)C2)ccc1[O-] ZINC000362901940 382143011 /nfs/dbraw/zinc/14/30/11/382143011.db2.gz UGGLWVUNGLKRLN-INIZCTEOSA-N -1 3 261.365 3.217 20 0 CGADHM COc1cccc(Cl)c1CN1CCC[C@](C)(C(=O)[O-])C1 ZINC000228805340 542298936 /nfs/dbraw/zinc/29/89/36/542298936.db2.gz RWYJIAKWKHVLNP-HNNXBMFYSA-N -1 3 297.782 3.035 20 0 CGADHM COc1ccccc1N(C)C(=O)c1cc([O-])ccc1Cl ZINC000234909621 542309692 /nfs/dbraw/zinc/30/96/92/542309692.db2.gz RERWSXFSIQYUEP-UHFFFAOYSA-N -1 3 291.734 3.331 20 0 CGADHM Cc1cc(C)c2[n-]cc(C(=O)N3C[C@H](C)C[C@H]3C)c(=O)c2c1 ZINC000331989112 291828880 /nfs/dbraw/zinc/82/88/80/291828880.db2.gz NQDKGVNZBHLRGU-DGCLKSJQSA-N -1 3 298.386 3.015 20 0 CGADHM COC1CCC(C)(CNC(=O)c2ccc([O-])c(C)c2)CC1 ZINC000436989547 533035085 /nfs/dbraw/zinc/03/50/85/533035085.db2.gz NWCMDSMEAKDKQT-UHFFFAOYSA-N -1 3 291.391 3.026 20 0 CGADHM [O-]c1cccc(CN2CCC[C@]3(CCOC3)C2)c1Cl ZINC000335384670 208333194 /nfs/dbraw/zinc/33/31/94/208333194.db2.gz NTNRHGZQDDAGNR-HNNXBMFYSA-N -1 3 281.783 3.048 20 0 CGADHM CO[C@@](C)(c1noc(/C=C/c2cccc([O-])c2)n1)C1CC1 ZINC000353868631 220377151 /nfs/dbraw/zinc/37/71/51/220377151.db2.gz QPNCBMNUYSKCSB-YXMGTMDOSA-N -1 3 286.331 3.217 20 0 CGADHM O=c1[n-]c(-c2cscn2)nc2cc(Cl)c(Cl)cc12 ZINC000362339852 285225762 /nfs/dbraw/zinc/22/57/62/285225762.db2.gz NIGKWRWVRZPYEM-UHFFFAOYSA-N -1 3 298.154 3.353 20 0 CGADHM Cc1cc(C(=O)N[C@H]2C[C@@H]2c2cccc(F)c2)ccc1[O-] ZINC000354372958 220706615 /nfs/dbraw/zinc/70/66/15/220706615.db2.gz QQVXQCSGHPJDBR-CABCVRRESA-N -1 3 285.318 3.126 20 0 CGADHM C[C@@H]1CC[C@H]1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000343953517 542502469 /nfs/dbraw/zinc/50/24/69/542502469.db2.gz KJSVCPAJYPZFQH-QMTHXVAHSA-N -1 3 255.317 3.074 20 0 CGADHM CCc1cc(=O)[n-]c(CN2C[C@@H](C)C[C@H]2c2ccccc2)n1 ZINC000353207376 542555257 /nfs/dbraw/zinc/55/52/57/542555257.db2.gz UNFRYRZCCBTIHG-BBRMVZONSA-N -1 3 297.402 3.328 20 0 CGADHM CCCc1occc1C(=O)Nc1ccc(C)cc1[O-] ZINC000281623570 195311854 /nfs/dbraw/zinc/31/18/54/195311854.db2.gz YJAXZOATDHQFQJ-UHFFFAOYSA-N -1 3 259.305 3.498 20 0 CGADHM C[C@@H](C(=O)Nc1cc(Cl)ccc1[O-])N1CCCCCC1 ZINC000439096605 533314536 /nfs/dbraw/zinc/31/45/36/533314536.db2.gz MMIDFSYRWJYCOX-NSHDSACASA-N -1 3 296.798 3.249 20 0 CGADHM COc1cc(-c2noc(-c3ccccc3F)n2)ccc1[O-] ZINC000436788827 533456746 /nfs/dbraw/zinc/45/67/46/533456746.db2.gz IGTUWPUGDNDTEV-UHFFFAOYSA-N -1 3 286.262 3.257 20 0 CGADHM COc1cccc(C(=O)N[C@@H](C)[C@@H](C)c2ccccc2)c1[O-] ZINC000436920156 533414095 /nfs/dbraw/zinc/41/40/95/533414095.db2.gz OBRCFWHTWFGNTM-OLZOCXBDSA-N -1 3 299.370 3.323 20 0 CGADHM COc1cc(C(=O)N[C@@H]2CCC[C@@H]2C(C)(C)C)ccc1[O-] ZINC000413996664 533547635 /nfs/dbraw/zinc/54/76/35/533547635.db2.gz VEMAGIRRGMITOJ-QWHCGFSZSA-N -1 3 291.391 3.345 20 0 CGADHM COc1ccc(CN2CCC[C@@H](C)[C@@H]2C(=O)[O-])cc1Cl ZINC000424262175 533557326 /nfs/dbraw/zinc/55/73/26/533557326.db2.gz DGDPMCPYOLWXAY-QMTHXVAHSA-N -1 3 297.782 3.034 20 0 CGADHM Cc1ccc(C(=O)Nc2cnn(CC(C)C)c2)c([O-])c1C ZINC000436575606 533618698 /nfs/dbraw/zinc/61/86/98/533618698.db2.gz OIOPKVKXWUMYCR-UHFFFAOYSA-N -1 3 287.363 3.114 20 0 CGADHM Cc1cc(C(=O)N2CCCc3cccc([O-])c32)cs1 ZINC000381104714 542596100 /nfs/dbraw/zinc/59/61/00/542596100.db2.gz BAQYKKHIVAZDDO-UHFFFAOYSA-N -1 3 273.357 3.355 20 0 CGADHM COc1ccc(C(=O)N(C)CC2CCCCC2)c([O-])c1 ZINC000042350594 391986991 /nfs/dbraw/zinc/98/69/91/391986991.db2.gz ZLGXTVNHXVFVNM-UHFFFAOYSA-N -1 3 277.364 3.053 20 0 CGADHM Cc1ccc(C(=O)NC[C@@H](C)c2ccccc2)c([O-])c1 ZINC000048390845 391998275 /nfs/dbraw/zinc/99/82/75/391998275.db2.gz PXBORZGFBYERIY-CYBMUJFWSA-N -1 3 269.344 3.234 20 0 CGADHM Cc1cc([N-]C(=O)c2cc(-c3ccccc3F)on2)no1 ZINC000030034427 391959811 /nfs/dbraw/zinc/95/98/11/391959811.db2.gz LUERKLAQZGNMDE-UHFFFAOYSA-N -1 3 287.250 3.029 20 0 CGADHM COc1ccc(NC(=O)c2cccc(C)c2[O-])c(C)c1 ZINC000061568548 392127681 /nfs/dbraw/zinc/12/76/81/392127681.db2.gz USWISNYWUYBAFB-UHFFFAOYSA-N -1 3 271.316 3.270 20 0 CGADHM Cc1ccc([O-])c(C(=O)N[C@H](C)Cc2cccs2)c1 ZINC000070140833 392177147 /nfs/dbraw/zinc/17/71/47/392177147.db2.gz BGVMFBMVEQATJM-LLVKDONJSA-N -1 3 275.373 3.123 20 0 CGADHM C[C@H]1CCN(C(=O)c2cc(C3CC3)no2)c2c([O-])cccc21 ZINC000282163341 392282540 /nfs/dbraw/zinc/28/25/40/392282540.db2.gz DMNWKWDRZYTLPW-JTQLQIEISA-N -1 3 298.342 3.412 20 0 CGADHM Cc1ccc2[n-]cc(C(=O)N(C)C3CCCC3)c(=O)c2c1 ZINC000285868765 392342031 /nfs/dbraw/zinc/34/20/31/392342031.db2.gz CVVXXHXFSMPEBG-UHFFFAOYSA-N -1 3 284.359 3.263 20 0 CGADHM COc1ccc(NC(=O)[C@@H]2C[C@@]2(C)C(C)C)c([O-])c1 ZINC000443561301 542666582 /nfs/dbraw/zinc/66/65/82/542666582.db2.gz RCONLBIBAJCPTQ-NHYWBVRUSA-N -1 3 263.337 3.022 20 0 CGADHM O=C([N-]c1n[nH]c(C2CCC2)n1)c1sccc1Cl ZINC000286072628 392372932 /nfs/dbraw/zinc/37/29/32/392372932.db2.gz MNSRBUCWLGSLJK-UHFFFAOYSA-N -1 3 282.756 3.039 20 0 CGADHM CCc1cc(C(=O)Nc2cnn(C(C)(C)C)c2)ccc1[O-] ZINC000362700953 392420584 /nfs/dbraw/zinc/42/05/84/392420584.db2.gz WPAZABMCZFQNPX-UHFFFAOYSA-N -1 3 287.363 3.158 20 0 CGADHM Cc1ccc(C(=O)N2CC[C@@H](c3ccc(F)cc3)C2)c([O-])c1 ZINC000365984493 392448857 /nfs/dbraw/zinc/44/88/57/392448857.db2.gz JLVPRTXVXQEYMF-CQSZACIVSA-N -1 3 299.345 3.469 20 0 CGADHM Cc1cc(C)c2c(=O)[n-]c(SCC[C@@H](C)F)nc2n1 ZINC000505658671 392685822 /nfs/dbraw/zinc/68/58/22/392685822.db2.gz IMOGMBDKDGMAOF-MRVPVSSYSA-N -1 3 281.356 3.187 20 0 CGADHM CC[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(C)cc2F)C1 ZINC000303898149 392626953 /nfs/dbraw/zinc/62/69/53/392626953.db2.gz SLKPYYIFOPMZTI-CHWSQXEVSA-N -1 3 299.411 3.381 20 0 CGADHM CC1(C(=O)[O-])CCN(C/C=C/c2ccc(F)cc2)CC1 ZINC000647464376 392729081 /nfs/dbraw/zinc/72/90/81/392729081.db2.gz MJHZRDYENHZIEG-NSCUHMNNSA-N -1 3 277.339 3.026 20 0 CGADHM [O-]c1ccc(F)c(CN[C@@H]2CCc3ccccc3C2)c1F ZINC000509654749 392764816 /nfs/dbraw/zinc/76/48/16/392764816.db2.gz DLEFIEUNTCHCAM-CYBMUJFWSA-N -1 3 289.325 3.318 20 0 CGADHM Cc1c(Cl)cccc1NC(=O)/C=C/c1cncc([O-])c1 ZINC000179382311 392699687 /nfs/dbraw/zinc/69/96/87/392699687.db2.gz MCKKBIPCFDIKCD-AATRIKPKSA-N -1 3 288.734 3.401 20 0 CGADHM CCc1ccc(C(=O)N[C@H](C)c2nc(C)cs2)c([O-])c1 ZINC000190991803 392818984 /nfs/dbraw/zinc/81/89/84/392818984.db2.gz UANQHLAEQLHDFX-SNVBAGLBSA-N -1 3 290.388 3.211 20 0 CGADHM CCCC[C@@H](CC)CC(=O)Nc1ncccc1[O-] ZINC000522672331 392930773 /nfs/dbraw/zinc/93/07/73/392930773.db2.gz HLVUYLYEIUQJAD-LLVKDONJSA-N -1 3 250.342 3.332 20 0 CGADHM C[C@@H](Cc1nc2cccnc2c(=O)[n-]1)c1ccccc1 ZINC000491855410 542718046 /nfs/dbraw/zinc/71/80/46/542718046.db2.gz WHYJVOABSYKOPT-NSHDSACASA-N -1 3 265.316 3.077 20 0 CGADHM COc1ccc(NC(=O)[C@H]2CC23CCCCC3)c([O-])c1 ZINC000525960993 542740720 /nfs/dbraw/zinc/74/07/20/542740720.db2.gz VMOCXYUSQVYUQH-GFCCVEGCSA-N -1 3 275.348 3.310 20 0 CGADHM Cc1cc2c([n-]c(-c3cccc(C)n3)nc2=O)s1 ZINC000340092296 392963477 /nfs/dbraw/zinc/96/34/77/392963477.db2.gz BZDSZEYEFLVALJ-UHFFFAOYSA-N -1 3 257.318 3.076 20 0 CGADHM CCCCn1c(=O)[n-]nc1SCCCCCF ZINC000340667176 392977824 /nfs/dbraw/zinc/97/78/24/392977824.db2.gz OCOLWPCGCPLANL-UHFFFAOYSA-N -1 3 261.366 3.016 20 0 CGADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@@H]1C=CCCC1 ZINC000469194785 393181285 /nfs/dbraw/zinc/18/12/85/393181285.db2.gz RPJIOVPQNXMXMM-CYBMUJFWSA-N -1 3 277.339 3.079 20 0 CGADHM CN(C(=O)CCCc1ccc([O-])c(F)c1)C1CCCC1 ZINC000468362290 393138352 /nfs/dbraw/zinc/13/83/52/393138352.db2.gz OVMIVYCFQZYSKD-UHFFFAOYSA-N -1 3 279.355 3.255 20 0 CGADHM CC[C@H](NC(=O)c1ccc(O)cc1[O-])c1csc(C)c1 ZINC000648654770 393163001 /nfs/dbraw/zinc/16/30/01/393163001.db2.gz TWQCHDYKYRDKLE-ZDUSSCGKSA-N -1 3 291.372 3.349 20 0 CGADHM CCc1nc(C(=O)[N-]c2ccc(O)cc2SC)c(C)o1 ZINC000355295413 393296364 /nfs/dbraw/zinc/29/63/64/393296364.db2.gz ZSNIUPYXVOBUHK-UHFFFAOYSA-N -1 3 292.360 3.225 20 0 CGADHM Cc1cccc2c1CCCN2C(=O)Cc1ccc([O-])c(F)c1 ZINC000648951905 393297838 /nfs/dbraw/zinc/29/78/38/393297838.db2.gz HFXFZTCLPXRBCZ-UHFFFAOYSA-N -1 3 299.345 3.362 20 0 CGADHM CCc1ccc2nccc(N(C)CCCC(=O)[O-])c2c1 ZINC000416422031 393311693 /nfs/dbraw/zinc/31/16/93/393311693.db2.gz IAPSHRTXXUHCLK-UHFFFAOYSA-N -1 3 272.348 3.098 20 0 CGADHM O=C(NC[C@@H]1CC=CCC1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000646768698 393321459 /nfs/dbraw/zinc/32/14/59/393321459.db2.gz PNQVMTMQZAEFLY-SNVBAGLBSA-N -1 3 299.292 3.497 20 0 CGADHM CC1=CCCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000646967019 393330730 /nfs/dbraw/zinc/33/07/30/393330730.db2.gz TZFAKWBSXMZCCI-UHFFFAOYSA-N -1 3 285.265 3.203 20 0 CGADHM O=C(NC1(C(F)F)CCCC1)c1cc([O-])ccc1Cl ZINC000646394157 393275293 /nfs/dbraw/zinc/27/52/93/393275293.db2.gz FDRYTWSFTQPEJS-UHFFFAOYSA-N -1 3 289.709 3.353 20 0 CGADHM CC[C@H](C(=O)N=c1[nH][n-]c(C(C)C)c1C)c1ccccc1 ZINC000649233120 393380525 /nfs/dbraw/zinc/38/05/25/393380525.db2.gz AAZWXAJJECXUFV-AWEZNQCLSA-N -1 3 285.391 3.396 20 0 CGADHM C[C@H]1C[C@@H]1CC(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000487199808 393449915 /nfs/dbraw/zinc/44/99/15/393449915.db2.gz NPMHDZLSVHFJCI-GRYCIOLGSA-N -1 3 259.349 3.279 20 0 CGADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@@H]1CC12CCCC2 ZINC000430243358 393547449 /nfs/dbraw/zinc/54/74/49/393547449.db2.gz KUJZPSMIXKJDRV-OAHLLOKOSA-N -1 3 291.366 3.303 20 0 CGADHM CCO[C@@H](CC(=O)Nc1ccc([O-])cc1F)C1=CCCC1 ZINC000360855026 393598602 /nfs/dbraw/zinc/59/86/02/393598602.db2.gz CSOVWXWOMHPYCI-HNNXBMFYSA-N -1 3 293.338 3.375 20 0 CGADHM CO[C@](C)(CNC(=O)c1cc([O-])c2ccccc2c1)C1CC1 ZINC000360744284 393580270 /nfs/dbraw/zinc/58/02/70/393580270.db2.gz JDWHZPBAFDGCJP-GOSISDBHSA-N -1 3 299.370 3.090 20 0 CGADHM COC(=O)c1cnc(SCc2ccc(C)cc2Cl)[n-]1 ZINC000432673623 393626971 /nfs/dbraw/zinc/62/69/71/393626971.db2.gz XMKDFRAWTQJQPB-UHFFFAOYSA-N -1 3 296.779 3.450 20 0 CGADHM CCCCSCCC(=O)Nc1ccc(OC)cc1[O-] ZINC000443564830 393763811 /nfs/dbraw/zinc/76/38/11/393763811.db2.gz COHXEEKUBXFSBC-UHFFFAOYSA-N -1 3 283.393 3.263 20 0 CGADHM Cc1cscc1-c1nc2cc(F)c(F)cc2c(=O)[n-]1 ZINC000445655805 393814403 /nfs/dbraw/zinc/81/44/03/393814403.db2.gz RYOBVTLNKOMJFF-UHFFFAOYSA-N -1 3 278.283 3.238 20 0 CGADHM CCc1ccc([O-])c(C(=O)N[C@@H](C)c2ccccc2)c1 ZINC000500412499 393827074 /nfs/dbraw/zinc/82/70/74/393827074.db2.gz DALQIUUAMUMUMX-LBPRGKRZSA-N -1 3 269.344 3.446 20 0 CGADHM Cc1ccc([O-])c(CN2CC(c3cccc(Cl)c3)C2)n1 ZINC000449556757 393901773 /nfs/dbraw/zinc/90/17/73/393901773.db2.gz ODQCBTZMVXZMPO-UHFFFAOYSA-N -1 3 288.778 3.348 20 0 CGADHM CC[C@@H]1CCC[C@H]1CNC(=O)Cc1ccc([O-])c(F)c1 ZINC000452527064 394078761 /nfs/dbraw/zinc/07/87/61/394078761.db2.gz LFPVARAIPHWKEX-OLZOCXBDSA-N -1 3 279.355 3.016 20 0 CGADHM C[C@H](c1noc(Cc2ccc([O-])c(F)c2)n1)C1CC1 ZINC000453145423 394186971 /nfs/dbraw/zinc/18/69/71/394186971.db2.gz OQHSIOQVONJDSS-QMMMGPOBSA-N -1 3 262.284 3.019 20 0 CGADHM Cc1cccc(C(=O)N2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@@]3(C)C2)c1[O-] ZINC000456999247 394308832 /nfs/dbraw/zinc/30/88/32/394308832.db2.gz XLHMFIIEXKWYBD-ZFHGCVPZSA-N -1 3 285.387 3.209 20 0 CGADHM CC(C)N(C(=O)c1ccccc1[O-])C1CC(C)(C)C1 ZINC000457083572 394317962 /nfs/dbraw/zinc/31/79/62/394317962.db2.gz ZMCIIRBJNUFSTG-UHFFFAOYSA-N -1 3 261.365 3.431 20 0 CGADHM CCc1ccc([O-])c(C(=O)NCCC2CC(F)(F)C2)c1 ZINC000457163974 394323240 /nfs/dbraw/zinc/32/32/40/394323240.db2.gz VKERAGWLIBHKLZ-UHFFFAOYSA-N -1 3 283.318 3.120 20 0 CGADHM CCc1ccc(C(=O)N2CC(C(C)(C)C)C2)c([O-])c1 ZINC000457349090 394348768 /nfs/dbraw/zinc/34/87/68/394348768.db2.gz YUGOSVVWJNTAQJ-UHFFFAOYSA-N -1 3 261.365 3.073 20 0 CGADHM Cc1ccc(C(=O)N2CC(C)(C)[C@H]2C(C)C)c([O-])c1 ZINC000437004624 292049588 /nfs/dbraw/zinc/04/95/88/292049588.db2.gz MPKKUILGANMRGP-CQSZACIVSA-N -1 3 261.365 3.207 20 0 CGADHM Cc1ccc(C(=O)N2CC[C@H](CC(C)C)C2)c([O-])c1 ZINC000307770501 292063702 /nfs/dbraw/zinc/06/37/02/292063702.db2.gz FRRPKOGQYDFBNW-CYBMUJFWSA-N -1 3 261.365 3.209 20 0 CGADHM Cc1cc(C(=O)[N-]c2csc(-c3ccccc3)n2)on1 ZINC000672331367 543209431 /nfs/dbraw/zinc/20/94/31/543209431.db2.gz OJCPPSUKFJWTGS-UHFFFAOYSA-N -1 3 285.328 3.359 20 0 CGADHM O=c1nc(-c2ccc(F)cn2)[n-]c2sc3c(c21)CCC3 ZINC000672773278 543227003 /nfs/dbraw/zinc/22/70/03/543227003.db2.gz VUWMUOZRHNZNAA-UHFFFAOYSA-N -1 3 287.319 3.087 20 0 CGADHM COc1ccc(NC(=O)c2ccc3cc(C)cn3c2)c([O-])c1 ZINC000673117621 543234081 /nfs/dbraw/zinc/23/40/81/543234081.db2.gz ZWVZBCHMTBERQK-UHFFFAOYSA-N -1 3 296.326 3.214 20 0 CGADHM Cc1ccc(C)c2sc([N-]C(=O)c3cnns3)nc21 ZINC000047412919 397632523 /nfs/dbraw/zinc/63/25/23/397632523.db2.gz SFHLCSMVYKAIEF-UHFFFAOYSA-N -1 3 290.373 3.017 20 0 CGADHM CC(C)Oc1ccccc1CN1CCCC[C@@H]1CC(=O)[O-] ZINC000650505442 397859853 /nfs/dbraw/zinc/85/98/53/397859853.db2.gz DITYTIRTUCNQBJ-OAHLLOKOSA-N -1 3 291.391 3.303 20 0 CGADHM CC[C@@H](C(=O)[O-])N(C)Cc1oc2c(cccc2C)c1C ZINC000650513776 397861252 /nfs/dbraw/zinc/86/12/52/397861252.db2.gz IHHVUQBVQRFTCE-ZDUSSCGKSA-N -1 3 275.348 3.345 20 0 CGADHM CCc1cccc(C(=O)Nc2cccc(C)c2O)c1[O-] ZINC000674362639 543283485 /nfs/dbraw/zinc/28/34/85/543283485.db2.gz XNGCDTDRQNFRHV-UHFFFAOYSA-N -1 3 271.316 3.221 20 0 CGADHM CCc1ncsc1C(=O)[N-]c1c(F)cc(F)cc1F ZINC000676727924 543413470 /nfs/dbraw/zinc/41/34/70/543413470.db2.gz ZLRLATCVJLBSCZ-UHFFFAOYSA-N -1 3 286.278 3.375 20 0 CGADHM Cc1ccc2[n-]cc(C(=O)N3CCCC(C)(C)C3)c(=O)c2c1 ZINC000341811482 292300333 /nfs/dbraw/zinc/30/03/33/292300333.db2.gz OYHSWOJFVPAYPG-UHFFFAOYSA-N -1 3 298.386 3.099 20 0 CGADHM C[C@@H](CCNC(=O)c1cccc([O-])c1)c1ccccc1 ZINC000061911420 286959369 /nfs/dbraw/zinc/95/93/69/286959369.db2.gz ZLBYKRMXURZWIB-ZDUSSCGKSA-N -1 3 269.344 3.316 20 0 CGADHM CC[C@H](C)C[C@H](C)NC(=O)NCc1ccc([O-])c(F)c1 ZINC000074374431 287012631 /nfs/dbraw/zinc/01/26/31/287012631.db2.gz GGMWFKCXZFCJNZ-QWRGUYRKSA-N -1 3 282.359 3.155 20 0 CGADHM CCC[C@@]1(C)CCCN(C(=O)c2ccccc2[O-])C1 ZINC000075501151 287025369 /nfs/dbraw/zinc/02/53/69/287025369.db2.gz SYWOLPWJKLXCBV-INIZCTEOSA-N -1 3 261.365 3.435 20 0 CGADHM CCc1cccc(S(=O)(=O)[N-]c2ccc(F)cc2C)c1 ZINC000080925902 287069437 /nfs/dbraw/zinc/06/94/37/287069437.db2.gz WFDRTSJVXRIWOM-UHFFFAOYSA-N -1 3 293.363 3.497 20 0 CGADHM CCCOCC(=O)Nc1cc(Cc2ccccc2)ccc1[O-] ZINC000081459828 287073263 /nfs/dbraw/zinc/07/32/63/287073263.db2.gz OXGVFSJYUSOUBG-UHFFFAOYSA-N -1 3 299.370 3.348 20 0 CGADHM COc1ccc(CN2CCC[C@@](C)(C(=O)[O-])C2)cc1Cl ZINC000086783854 287083943 /nfs/dbraw/zinc/08/39/43/287083943.db2.gz UQTPUUKLKKAELI-OAHLLOKOSA-N -1 3 297.782 3.035 20 0 CGADHM C[C@@H]1CSCCN1Cc1cc([O-])cc(C(F)(F)F)c1 ZINC000356109000 297182429 /nfs/dbraw/zinc/18/24/29/297182429.db2.gz KHXGOLXVCNFMHV-SECBINFHSA-N -1 3 291.338 3.348 20 0 CGADHM Cc1cccc(C(=O)N(C)[C@H](C)c2ccco2)c1[O-] ZINC000078272044 165128433 /nfs/dbraw/zinc/12/84/33/165128433.db2.gz YEHPGSFERIOZTB-LLVKDONJSA-N -1 3 259.305 3.127 20 0 CGADHM C[C@H](CCC[C@H](C)NCc1ccccc1F)C(=O)[O-] ZINC000087677484 165191619 /nfs/dbraw/zinc/19/16/19/165191619.db2.gz KVMRYKTVTZWDSR-NEPJUHHUSA-N -1 3 267.344 3.195 20 0 CGADHM Cn1cc(C(=O)Nc2ccccc2[O-])c(-c2ccccc2)n1 ZINC000091171552 165261068 /nfs/dbraw/zinc/26/10/68/165261068.db2.gz BUJJGFMVTKCDRW-UHFFFAOYSA-N -1 3 293.326 3.045 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2C[C@H](C)CC[C@H]2C)c1 ZINC000091989955 287110184 /nfs/dbraw/zinc/11/01/84/287110184.db2.gz FVTXUKUGMJEGRR-VXGBXAGGSA-N -1 3 261.365 3.215 20 0 CGADHM O=C(Nc1ccccc1[O-])c1scnc1C(F)(F)F ZINC000096749171 287124043 /nfs/dbraw/zinc/12/40/43/287124043.db2.gz ADVCKICFCQYRBQ-UHFFFAOYSA-N -1 3 288.250 3.120 20 0 CGADHM O=C(N[C@@H]1CCC[C@H]1c1ccccc1)c1ccc(O)cc1[O-] ZINC000110571150 287131695 /nfs/dbraw/zinc/13/16/95/287131695.db2.gz RDONODFMDMQIFP-GOEBONIOSA-N -1 3 297.354 3.164 20 0 CGADHM Cn1ccnc1-c1cccc(NC(=O)c2cccc([O-])c2)c1 ZINC000182134905 165696734 /nfs/dbraw/zinc/69/67/34/165696734.db2.gz DTIFBCKOUMLLQX-UHFFFAOYSA-N -1 3 293.326 3.045 20 0 CGADHM Cc1ccc(-c2nc(Cc3ccc(F)cc3)no2)c([O-])c1 ZINC000111687540 287135903 /nfs/dbraw/zinc/13/59/03/287135903.db2.gz IYVNTKQLMQWERL-UHFFFAOYSA-N -1 3 284.290 3.481 20 0 CGADHM Cc1ccc([O-])c(-c2nc(Cc3cccs3)no2)c1 ZINC000111688194 287136181 /nfs/dbraw/zinc/13/61/81/287136181.db2.gz LEYMZAZHUHETJX-UHFFFAOYSA-N -1 3 272.329 3.403 20 0 CGADHM CSCc1ccccc1NC(=O)c1cccc2nn[n-]c21 ZINC000119253183 287167361 /nfs/dbraw/zinc/16/73/61/287167361.db2.gz BJKRGEVUKYTXLZ-UHFFFAOYSA-N -1 3 298.371 3.073 20 0 CGADHM CSCc1ccccc1NC(=O)c1cccc2[n-]nnc21 ZINC000119253183 287167363 /nfs/dbraw/zinc/16/73/63/287167363.db2.gz BJKRGEVUKYTXLZ-UHFFFAOYSA-N -1 3 298.371 3.073 20 0 CGADHM CSCc1ccccc1NC(=O)c1cccc2n[n-]nc21 ZINC000119253183 287167366 /nfs/dbraw/zinc/16/73/66/287167366.db2.gz BJKRGEVUKYTXLZ-UHFFFAOYSA-N -1 3 298.371 3.073 20 0 CGADHM Cc1ccc(C(=O)Nc2ccc3c(c2)COC3)c([O-])c1C ZINC000121412197 287197868 /nfs/dbraw/zinc/19/78/68/287197868.db2.gz KCEQDVSMLNKZGK-UHFFFAOYSA-N -1 3 283.327 3.292 20 0 CGADHM C[C@@H](c1ccc(Cl)cc1)N1CCC(C(=O)[O-])CC1 ZINC000006175482 170180561 /nfs/dbraw/zinc/18/05/61/170180561.db2.gz AFCRNDNODFYWHO-JTQLQIEISA-N -1 3 267.756 3.198 20 0 CGADHM CC(C)Cc1nnc([N-]C(=O)c2cc(F)cc(F)c2)s1 ZINC000007642994 170295065 /nfs/dbraw/zinc/29/50/65/170295065.db2.gz UWXZVKZWVMCESH-UHFFFAOYSA-N -1 3 297.330 3.267 20 0 CGADHM Cc1ccc(NC(=O)Cc2ccc(C)c(C)c2)c([O-])c1 ZINC000008378351 170333738 /nfs/dbraw/zinc/33/37/38/170333738.db2.gz WBFOZAYRFXAVNF-UHFFFAOYSA-N -1 3 269.344 3.499 20 0 CGADHM Cc1ccc(C(=O)N(C)Cc2cccc(F)c2)c([O-])c1 ZINC000020293394 171134303 /nfs/dbraw/zinc/13/43/03/171134303.db2.gz GHSGKMAVIKTWOK-UHFFFAOYSA-N -1 3 273.307 3.112 20 0 CGADHM Cc1ccc(F)c(NC(=O)c2cc(C)ccc2[O-])c1 ZINC000020363092 171162165 /nfs/dbraw/zinc/16/21/65/171162165.db2.gz YIKVAGFYFSBKQP-UHFFFAOYSA-N -1 3 259.280 3.400 20 0 CGADHM Cc1ccc(NC(=O)c2ccc(F)c(F)c2)c([O-])c1 ZINC000022634698 171395177 /nfs/dbraw/zinc/39/51/77/171395177.db2.gz XKEXOQNFUCDTHN-UHFFFAOYSA-N -1 3 263.243 3.231 20 0 CGADHM Cc1cccc(C(=O)N2CCC[C@@H]3CCCC[C@H]32)c1[O-] ZINC000035219408 172059737 /nfs/dbraw/zinc/05/97/37/172059737.db2.gz OVSIXBJWMMNWBA-DZGCQCFKSA-N -1 3 273.376 3.495 20 0 CGADHM O=C([O-])[C@H](c1cccc(Br)c1)N1CCCCC1 ZINC000037362076 173151447 /nfs/dbraw/zinc/15/14/47/173151447.db2.gz ZLIOYKHWPKOPEP-LBPRGKRZSA-N -1 3 298.180 3.061 20 0 CGADHM CCc1oc(C(=O)[N-]c2nnc(C(F)F)s2)cc1C ZINC000127438740 287287966 /nfs/dbraw/zinc/28/79/66/287287966.db2.gz LBCHWPFRPINKGQ-UHFFFAOYSA-N -1 3 287.291 3.192 20 0 CGADHM [O-]c1ccc(CNCc2ccc(F)cc2)cc1Cl ZINC000043476880 175054459 /nfs/dbraw/zinc/05/44/59/175054459.db2.gz RTCDHCSWILSABE-UHFFFAOYSA-N -1 3 265.715 3.475 20 0 CGADHM Cc1ccc(CC(=O)Nc2cccc([O-])c2F)cc1 ZINC000128295824 287307991 /nfs/dbraw/zinc/30/79/91/287307991.db2.gz CINBUSDNMZTCKM-UHFFFAOYSA-N -1 3 259.280 3.021 20 0 CGADHM O=C(Nc1cccc([O-])c1F)c1cc(=O)[nH]c2ccccc21 ZINC000128323507 287308668 /nfs/dbraw/zinc/30/86/68/287308668.db2.gz XBWFAAWWEZPRJU-UHFFFAOYSA-N -1 3 298.273 3.037 20 0 CGADHM Cc1cccc(O[C@@H](C)C(=O)Nc2cccc([O-])c2F)c1 ZINC000128319736 287308700 /nfs/dbraw/zinc/30/87/00/287308700.db2.gz NGNZQKOWTJSFSC-NSHDSACASA-N -1 3 289.306 3.246 20 0 CGADHM Cc1ccc(/C=C/C(=O)Nc2cccc([O-])c2F)cc1 ZINC000128272089 287307738 /nfs/dbraw/zinc/30/77/38/287307738.db2.gz BHQFDDQHSNFIDK-MDZDMXLPSA-N -1 3 271.291 3.492 20 0 CGADHM Cc1ccc(F)cc1C(=O)Nc1cccc([O-])c1F ZINC000128513653 287312934 /nfs/dbraw/zinc/31/29/34/287312934.db2.gz IOBXIXYLXQLGRO-UHFFFAOYSA-N -1 3 263.243 3.231 20 0 CGADHM CCOc1ccc(C(=O)Nc2cccc([O-])c2F)cc1 ZINC000128954403 287321622 /nfs/dbraw/zinc/32/16/22/287321622.db2.gz XVJLGRRPCMGUQT-UHFFFAOYSA-N -1 3 275.279 3.182 20 0 CGADHM Cc1cccc(/C=C/C(=O)Nc2cccc([O-])c2F)c1 ZINC000129010664 287322404 /nfs/dbraw/zinc/32/24/04/287322404.db2.gz ZRCZPQGGHWGGIQ-CMDGGOBGSA-N -1 3 271.291 3.492 20 0 CGADHM O=C(Cc1cccc2cccnc21)Nc1cccc([O-])c1F ZINC000129271169 287328066 /nfs/dbraw/zinc/32/80/66/287328066.db2.gz DXJHGIZEFVDIBH-UHFFFAOYSA-N -1 3 296.301 3.261 20 0 CGADHM C[C@@H](CN1Cc2ccccc2[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000315867831 416539940 /nfs/dbraw/zinc/53/99/40/416539940.db2.gz IIMSKNKBDLAQSH-KBXCAEBGSA-N -1 3 295.382 3.474 20 0 CGADHM O=C([O-])c1cccc(CN2CCC3(CC3(F)F)CC2)c1 ZINC000405106252 416559376 /nfs/dbraw/zinc/55/93/76/416559376.db2.gz YJWRBADSOXYXMR-UHFFFAOYSA-N -1 3 281.302 3.006 20 0 CGADHM CN(C(=O)c1c[n-]nc1-c1ccc(F)cc1)c1ccccc1 ZINC000073562792 416494469 /nfs/dbraw/zinc/49/44/69/416494469.db2.gz ASNOSRFGECAUGE-UHFFFAOYSA-N -1 3 295.317 3.492 20 0 CGADHM CC(C)(C)C1CCC(CN2CCOC[C@H]2CC(=O)[O-])CC1 ZINC000130305552 416513953 /nfs/dbraw/zinc/51/39/53/416513953.db2.gz KUOUJCAXLLAOBW-YMAMQOFZSA-N -1 3 297.439 3.014 20 0 CGADHM O=C(c1ccc2c(c1[O-])CCCC2)N1CCC[C@H]1C1CC1 ZINC000680433225 543710739 /nfs/dbraw/zinc/71/07/39/543710739.db2.gz QTXPSIHALZKSIK-INIZCTEOSA-N -1 3 285.387 3.286 20 0 CGADHM Cc1ccc(C(=O)NC(C)(C)CC(F)(F)F)c([O-])c1C ZINC000682021877 543816061 /nfs/dbraw/zinc/81/60/61/543816061.db2.gz YASWRKRJGONKBL-UHFFFAOYSA-N -1 3 289.297 3.470 20 0 CGADHM O=C([O-])c1cccc(CNCc2cc(F)cc(Cl)c2)c1 ZINC000683176855 543901510 /nfs/dbraw/zinc/90/15/10/543901510.db2.gz UQBMHVOCWUFPKY-UHFFFAOYSA-N -1 3 293.725 3.467 20 0 CGADHM CC(=O)Nc1ccc(C)c(NC(=O)c2ccc(C)cc2[O-])c1 ZINC000132202044 287399218 /nfs/dbraw/zinc/39/92/18/287399218.db2.gz XYGASGCOKVWSBF-UHFFFAOYSA-N -1 3 298.342 3.220 20 0 CGADHM CC(C)c1cccc(CNCc2ncccc2[O-])c1 ZINC000685427620 544068424 /nfs/dbraw/zinc/06/84/24/544068424.db2.gz KMRGGCNJLNRCHJ-UHFFFAOYSA-N -1 3 256.349 3.200 20 0 CGADHM O=C(Cc1ccc([O-])cc1Cl)Nc1ccsc1 ZINC000136286478 287482280 /nfs/dbraw/zinc/48/22/80/287482280.db2.gz LTYHDBDYVSYWCJ-UHFFFAOYSA-N -1 3 267.737 3.288 20 0 CGADHM C[C@@H](CN(Cc1cc(Cl)ccc1F)C1CC1)C(=O)[O-] ZINC000652489318 418975345 /nfs/dbraw/zinc/97/53/45/418975345.db2.gz FPIRSPJPDSABFB-VIFPVBQESA-N -1 3 285.746 3.164 20 0 CGADHM C[C@@H]1CCCN(Cc2cc(C(=O)[O-])ccc2Cl)C1 ZINC000652366772 418958546 /nfs/dbraw/zinc/95/85/46/418958546.db2.gz OCDFIVWVWPDBKO-SNVBAGLBSA-N -1 3 267.756 3.270 20 0 CGADHM O=C([O-])CC1(CN(Cc2ccc(F)cc2F)C2CC2)CC1 ZINC000652388156 418959845 /nfs/dbraw/zinc/95/98/45/418959845.db2.gz ZEDDWIFOZMPKOL-UHFFFAOYSA-N -1 3 295.329 3.184 20 0 CGADHM CCc1oc(C(=O)[O-])cc1CN(C)[C@H](C)C(C)(C)C ZINC000652394664 418961826 /nfs/dbraw/zinc/96/18/26/418961826.db2.gz ZPLPDQLUIJEGCN-SNVBAGLBSA-N -1 3 267.369 3.407 20 0 CGADHM CC[C@]1(C)CCCN(Cc2ccc(C(=O)[O-])s2)C1 ZINC000652416636 418964931 /nfs/dbraw/zinc/96/49/31/418964931.db2.gz XWTKQDRXESAVBW-CQSZACIVSA-N -1 3 267.394 3.458 20 0 CGADHM Cc1ccc(C(=O)N2CC[C@@H](c3cc(C)ccn3)C2)c([O-])c1 ZINC000655133310 419023924 /nfs/dbraw/zinc/02/39/24/419023924.db2.gz KFDHYKOXYHWWRC-CQSZACIVSA-N -1 3 296.370 3.034 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2Cc3ccc(OC)cc3C2)c1 ZINC000655317293 419038681 /nfs/dbraw/zinc/03/86/81/419038681.db2.gz IFBABSRXSVOKPG-UHFFFAOYSA-N -1 3 297.354 3.119 20 0 CGADHM CCc1ccc(C(=O)N2Cc3ccc(OC)cc3C2)c([O-])c1 ZINC000655317490 419038733 /nfs/dbraw/zinc/03/87/33/419038733.db2.gz MOQIAHMJHUDZRF-UHFFFAOYSA-N -1 3 297.354 3.119 20 0 CGADHM CCO[C@@H](CC)c1noc(-c2ccc(CC)cc2[O-])n1 ZINC000665042195 419044755 /nfs/dbraw/zinc/04/47/55/419044755.db2.gz LJGYKFLXWYIVIY-ZDUSSCGKSA-N -1 3 276.336 3.492 20 0 CGADHM C[C@H]1CCCN1[C@H](C(=O)[O-])c1ccccc1Br ZINC000659787897 418989955 /nfs/dbraw/zinc/98/99/55/418989955.db2.gz SKLXJOISBSPLMF-CABZTGNLSA-N -1 3 298.180 3.059 20 0 CGADHM [O-]c1cccc(CN[C@@H](C2CC2)[C@@H]2CCCCO2)c1Cl ZINC000655811360 419104007 /nfs/dbraw/zinc/10/40/07/419104007.db2.gz HEVPITUDFAPDRI-HOCLYGCPSA-N -1 3 295.810 3.483 20 0 CGADHM Cc1ccc(NC(=O)[C@@H](C)Cc2ccco2)c([O-])c1 ZINC000665203168 419080348 /nfs/dbraw/zinc/08/03/48/419080348.db2.gz YYOIJWISDZAZCZ-NSHDSACASA-N -1 3 259.305 3.111 20 0 CGADHM COc1cccc(-c2nc([C@@H]3CCC[C@@H]4C[C@@H]43)no2)c1[O-] ZINC000656047330 419135682 /nfs/dbraw/zinc/13/56/82/419135682.db2.gz FXYQOVLBXJXGEY-FOGDFJRCSA-N -1 3 286.331 3.354 20 0 CGADHM CCc1nsc([N-][C@H](C[C@@H]2CCCO2)C(F)(F)F)n1 ZINC000656224110 419154375 /nfs/dbraw/zinc/15/43/75/419154375.db2.gz CVVLGGMDCMVZHC-JGVFFNPUSA-N -1 3 295.330 3.012 20 0 CGADHM CCN(Cc1ccc(C)cc1)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000656421219 419170225 /nfs/dbraw/zinc/17/02/25/419170225.db2.gz GQJMMWJVJPRDFT-UHFFFAOYSA-N -1 3 297.402 3.390 20 0 CGADHM Cc1oc(C(=O)[O-])cc1CN1CCC(C2CCC2)CC1 ZINC000656758647 419211069 /nfs/dbraw/zinc/21/10/69/419211069.db2.gz KBGUFLKWLCJORW-UHFFFAOYSA-N -1 3 277.364 3.298 20 0 CGADHM Cc1cccc([C@H]2CCCN2Cc2cccc(C(=O)[O-])c2)n1 ZINC000666573597 419226659 /nfs/dbraw/zinc/22/66/59/419226659.db2.gz XMPVWNKTCHPZAG-QGZVFWFLSA-N -1 3 296.370 3.425 20 0 CGADHM [O-]c1cccc(CNCC2=CCCC2)c1Br ZINC000657749745 419337198 /nfs/dbraw/zinc/33/71/98/419337198.db2.gz LNQXKEZNOIGDRC-UHFFFAOYSA-N -1 3 282.181 3.355 20 0 CGADHM CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc([O-])c(C)c1 ZINC000227018594 287636373 /nfs/dbraw/zinc/63/63/73/287636373.db2.gz QDOMWHBLYHDYJP-JSGCOSHPSA-N -1 3 261.365 3.399 20 0 CGADHM C[C@H](c1ccccc1)N(C)C(=O)/C=C/c1cncc([O-])c1 ZINC000179398848 260047060 /nfs/dbraw/zinc/04/70/60/260047060.db2.gz RDDPOKCTCLNVRX-MMQHEFTJSA-N -1 3 282.343 3.020 20 0 CGADHM C[C@H](c1ccccc1)[C@H](C)NC(=O)/C=C/c1cncc([O-])c1 ZINC000179533887 260054077 /nfs/dbraw/zinc/05/40/77/260054077.db2.gz NXLYCRIRLDRBAP-CFYKVZDHSA-N -1 3 296.370 3.109 20 0 CGADHM O=C(/C=C/c1ccc[nH]1)Nc1cc(Cl)ccc1[O-] ZINC000188600946 262323758 /nfs/dbraw/zinc/32/37/58/262323758.db2.gz SDSPVDAEWCTZGK-GQCTYLIASA-N -1 3 262.696 3.026 20 0 CGADHM O=C([O-])c1ccc(CN[C@H]2CCCc3c(O)cccc32)cc1 ZINC000414644437 263020079 /nfs/dbraw/zinc/02/00/79/263020079.db2.gz ZLDFOKDZGBKZAY-INIZCTEOSA-N -1 3 297.354 3.258 20 0 CGADHM O=C(c1cc([O-])ccc1Cl)N1CC2(CCC2)[C@H]1C1CC1 ZINC000291099062 263120163 /nfs/dbraw/zinc/12/01/63/263120163.db2.gz LNFQXHYGSWBSJN-CQSZACIVSA-N -1 3 291.778 3.450 20 0 CGADHM O=C(Nc1ccc(C(F)(F)F)cc1)c1c([O-])cccc1O ZINC000034045490 270027803 /nfs/dbraw/zinc/02/78/03/270027803.db2.gz WFYVEHWBNBCCFY-UHFFFAOYSA-N -1 3 297.232 3.369 20 0 CGADHM CC(C)(C[N-]S(=O)(=O)c1cccs1)c1ccccc1 ZINC000043785461 270034582 /nfs/dbraw/zinc/03/45/82/270034582.db2.gz QKUXRUMYHCDPQD-UHFFFAOYSA-N -1 3 295.429 3.004 20 0 CGADHM COc1cc(C)cc(C(=O)Nc2ccccc2C)c1[O-] ZINC000106453723 270048782 /nfs/dbraw/zinc/04/87/82/270048782.db2.gz COEZRYBQYBATRL-UHFFFAOYSA-N -1 3 271.316 3.270 20 0 CGADHM CC(C)(CNC(=O)c1cccc([O-])c1)Cc1ccccc1 ZINC000182464732 270054090 /nfs/dbraw/zinc/05/40/90/270054090.db2.gz HNAFNSAYDPDJHY-UHFFFAOYSA-N -1 3 283.371 3.391 20 0 CGADHM CC(C)c1cccc2c1CCN(CC1(CC(=O)[O-])CC1)C2 ZINC000519757715 265577759 /nfs/dbraw/zinc/57/77/59/265577759.db2.gz FCUWAJGKCNFTRW-UHFFFAOYSA-N -1 3 287.403 3.423 20 0 CGADHM COc1ccc([O-])c(C(=O)N[C@H](C)CCc2ccccc2)c1 ZINC000215795827 270085180 /nfs/dbraw/zinc/08/51/80/270085180.db2.gz SNZKGPQQDOWBLF-CYBMUJFWSA-N -1 3 299.370 3.152 20 0 CGADHM O=C(Nc1cccc(C(F)(F)F)c1)c1c([O-])cccc1O ZINC000220218139 270085690 /nfs/dbraw/zinc/08/56/90/270085690.db2.gz DHSZETJOEXZLRO-UHFFFAOYSA-N -1 3 297.232 3.369 20 0 CGADHM C[C@@H](NC(=O)c1c([O-])cccc1O)c1cccc(Cl)c1 ZINC000228853866 270087961 /nfs/dbraw/zinc/08/79/61/270087961.db2.gz YOUADZCIQVQLIF-SECBINFHSA-N -1 3 291.734 3.242 20 0 CGADHM Cc1ccc(NC(=O)c2c([O-])cccc2O)cc1Cl ZINC000228854826 270088247 /nfs/dbraw/zinc/08/82/47/270088247.db2.gz QKYMKBCKLWXNJD-UHFFFAOYSA-N -1 3 277.707 3.312 20 0 CGADHM O=C(N[C@@H](C1CC1)C1CCC1)c1cc([O-])ccc1Cl ZINC000325326954 270095054 /nfs/dbraw/zinc/09/50/54/270095054.db2.gz FYRJSSXNMFEXGY-CQSZACIVSA-N -1 3 279.767 3.354 20 0 CGADHM CC(C)[C@H]1CN(Cc2ccc(C(=O)[O-])s2)CCS1 ZINC000519826868 270098258 /nfs/dbraw/zinc/09/82/58/270098258.db2.gz NVFWJLNUCOOBNX-GFCCVEGCSA-N -1 3 285.434 3.020 20 0 CGADHM COc1ccc([O-])c(C(=O)N[C@H]2C[C@H]2C2CCCCC2)c1 ZINC000525258720 270118605 /nfs/dbraw/zinc/11/86/05/270118605.db2.gz MWQUNONTYATSOW-ZFWWWQNUSA-N -1 3 289.375 3.099 20 0 CGADHM C[C@H]1CCCCN1C(=O)c1cc([O-])cc(Br)c1 ZINC000527651474 270130954 /nfs/dbraw/zinc/13/09/54/270130954.db2.gz FZHHQVMYMPNQFZ-VIFPVBQESA-N -1 3 298.180 3.169 20 0 CGADHM O=C(N[C@H](c1ccccn1)C1CCC1)c1cccc([O-])c1 ZINC000529826700 270189337 /nfs/dbraw/zinc/18/93/37/270189337.db2.gz WIPRSHXJOVGKJD-INIZCTEOSA-N -1 3 282.343 3.058 20 0 CGADHM C[C@H](CN(C)C(=O)c1csc(=O)[n-]1)C1CCCCC1 ZINC000530039473 270193764 /nfs/dbraw/zinc/19/37/64/270193764.db2.gz PBOTYHNZRLFTPD-SNVBAGLBSA-N -1 3 282.409 3.137 20 0 CGADHM O=c1cc(COc2cc(F)cc(Cl)c2)nc(C2CC2)[n-]1 ZINC000530120226 270194598 /nfs/dbraw/zinc/19/45/98/270194598.db2.gz QPTKHKZKEFYJLG-UHFFFAOYSA-N -1 3 294.713 3.431 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)[C@@H]2[C@H](C)[C@@H]2C2CC2)c1-c1ccccc1 ZINC000530262058 270197976 /nfs/dbraw/zinc/19/79/76/270197976.db2.gz JKKUNKMBBQKMMC-VCTAVGKDSA-N -1 3 295.386 3.038 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)[C@H]2[C@H](C3CC3)[C@@H]2C)c1-c1ccccc1 ZINC000530262057 270197993 /nfs/dbraw/zinc/19/79/93/270197993.db2.gz JKKUNKMBBQKMMC-NZVBXONLSA-N -1 3 295.386 3.038 20 0 CGADHM CCc1cccc(C(=O)Nc2cccc(NC(C)=O)c2)c1[O-] ZINC000530880476 270203306 /nfs/dbraw/zinc/20/33/06/270203306.db2.gz REUQGNBKVKFGFR-UHFFFAOYSA-N -1 3 298.342 3.165 20 0 CGADHM CCc1cccc(C(=O)Nc2ccc(NC(C)=O)cc2)c1[O-] ZINC000531119089 270204215 /nfs/dbraw/zinc/20/42/15/270204215.db2.gz NDSHQEIOZDXCNO-UHFFFAOYSA-N -1 3 298.342 3.165 20 0 CGADHM CCc1cccc(C(=O)N2CCC(CC)CC2)c1[O-] ZINC000531193689 270204887 /nfs/dbraw/zinc/20/48/87/270204887.db2.gz UXFDEEKSHAUPJG-UHFFFAOYSA-N -1 3 261.365 3.217 20 0 CGADHM CCc1cccc(C(=O)N2Cc3ccccc3C2)c1[O-] ZINC000531432258 270206599 /nfs/dbraw/zinc/20/65/99/270206599.db2.gz ZYGXSYDFACSFDY-UHFFFAOYSA-N -1 3 267.328 3.111 20 0 CGADHM C[C@H](N(C)C(=O)Cc1ccc([O-])cc1Cl)C(C)(C)C ZINC000532659372 270218211 /nfs/dbraw/zinc/21/82/11/270218211.db2.gz KIVGNGLGFLHZCT-JTQLQIEISA-N -1 3 283.799 3.481 20 0 CGADHM CCC1(NC(=O)c2cc(=O)c3ccccc3[n-]2)CCC1 ZINC000267918289 287889945 /nfs/dbraw/zinc/88/99/45/287889945.db2.gz WZFQHOAYLYYCBS-UHFFFAOYSA-N -1 3 270.332 3.003 20 0 CGADHM O=C(N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21)c1cc([O-])ccc1Cl ZINC000378005003 287992571 /nfs/dbraw/zinc/99/25/71/287992571.db2.gz SUSAXPNTUPXLBU-VNQPRFMTSA-N -1 3 299.757 3.114 20 0 CGADHM C[C@@H]1CN(C(=O)c2c[n-]c3ccccc3c2=O)CC(C)(C)C1 ZINC000336595298 288013716 /nfs/dbraw/zinc/01/37/16/288013716.db2.gz NZMJLKQUPRPFEE-LBPRGKRZSA-N -1 3 298.386 3.036 20 0 CGADHM CC(C)(C)[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccco1 ZINC000188592573 278500481 /nfs/dbraw/zinc/50/04/81/278500481.db2.gz FZXLOBKHOGBARC-VXGBXAGGSA-N -1 3 285.409 3.163 20 0 CGADHM C[C@@H]1CCN(C(=O)CCc2ccncc2)c2c([O-])cccc21 ZINC000186267753 278530353 /nfs/dbraw/zinc/53/03/53/278530353.db2.gz NCXQSSLNQKNBIJ-CYBMUJFWSA-N -1 3 296.370 3.260 20 0 CGADHM Cc1cc(C(=O)N2CCCc3cccc([O-])c32)oc1C ZINC000336362793 278634958 /nfs/dbraw/zinc/63/49/58/278634958.db2.gz BNJQASGQUAIIJM-UHFFFAOYSA-N -1 3 271.316 3.195 20 0 CGADHM Cc1cc([C@@H](C)NCc2cc(=O)[n-]c(C3CC3)n2)c(C)o1 ZINC000459396342 288088438 /nfs/dbraw/zinc/08/84/38/288088438.db2.gz CIVSRBJNUQTYAK-SNVBAGLBSA-N -1 3 287.363 3.120 20 0 CGADHM Cc1cccnc1C(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000274392923 278970464 /nfs/dbraw/zinc/97/04/64/278970464.db2.gz PZNRYLJNNSBXFI-NSHDSACASA-N -1 3 282.343 3.250 20 0 CGADHM Cc1c(C(=O)Nc2nnc(-c3ccco3)[n-]2)ccn1C(C)C ZINC000339862036 280222123 /nfs/dbraw/zinc/22/21/23/280222123.db2.gz UXHISFURDGFXSO-UHFFFAOYSA-N -1 3 299.334 3.008 20 0 CGADHM Cc1c(C(=O)Nc2nc(-c3ccco3)n[n-]2)ccn1C(C)C ZINC000339862036 280222126 /nfs/dbraw/zinc/22/21/26/280222126.db2.gz UXHISFURDGFXSO-UHFFFAOYSA-N -1 3 299.334 3.008 20 0 CGADHM Cc1c(C(=O)Nc2n[n-]c(-c3ccco3)n2)ccn1C(C)C ZINC000339862036 280222128 /nfs/dbraw/zinc/22/21/28/280222128.db2.gz UXHISFURDGFXSO-UHFFFAOYSA-N -1 3 299.334 3.008 20 0 CGADHM C[C@@H](CC(=O)Nc1ccc(Cl)cc1[O-])n1cccc1 ZINC000532836639 288371107 /nfs/dbraw/zinc/37/11/07/288371107.db2.gz HCIBGOATRAWACT-JTQLQIEISA-N -1 3 278.739 3.437 20 0 CGADHM CCc1cccc(C(=O)N(C)C2Cc3ccccc3C2)c1[O-] ZINC000537641085 288541364 /nfs/dbraw/zinc/54/13/64/288541364.db2.gz NBPFOCIRHMHOQL-UHFFFAOYSA-N -1 3 295.382 3.194 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2cc(OC)ccc2F)c1 ZINC000537680582 288543455 /nfs/dbraw/zinc/54/34/55/288543455.db2.gz KGHBSPCAVIASAR-UHFFFAOYSA-N -1 3 289.306 3.355 20 0 CGADHM CCc1cccc(C(=O)N2C[C@H](C)Oc3ccccc32)c1[O-] ZINC000539843968 288634726 /nfs/dbraw/zinc/63/47/26/288634726.db2.gz MWOBJXRWIKOOOA-LBPRGKRZSA-N -1 3 297.354 3.382 20 0 CGADHM Cc1ccc(CC(=O)Nc2c(C)cccc2[O-])cc1C ZINC000542774818 288770156 /nfs/dbraw/zinc/77/01/56/288770156.db2.gz OGKYZMUSSUMQGK-UHFFFAOYSA-N -1 3 269.344 3.499 20 0 CGADHM COc1cc(C)cc(-c2nc(CC3CCCC3)no2)c1[O-] ZINC000551510469 289118225 /nfs/dbraw/zinc/11/82/25/289118225.db2.gz IGXQLXRWDNYREZ-UHFFFAOYSA-N -1 3 288.347 3.492 20 0 CGADHM C[C@@H](C(=O)Nc1c([O-])cccc1Cl)N1CCCCCC1 ZINC000552431322 289188867 /nfs/dbraw/zinc/18/88/67/289188867.db2.gz DYYVGZVSINIQIM-NSHDSACASA-N -1 3 296.798 3.249 20 0 CGADHM Cc1nscc1C(=O)Nc1c([O-])cccc1Cl ZINC000552782359 289198939 /nfs/dbraw/zinc/19/89/39/289198939.db2.gz IKTHXQKGEBABAG-UHFFFAOYSA-N -1 3 268.725 3.063 20 0 CGADHM O=C(N=c1cc2ccccn2[n-]1)c1cccc2ccsc21 ZINC000552990860 289204640 /nfs/dbraw/zinc/20/46/40/289204640.db2.gz XKUMXVSLLDCAJT-UHFFFAOYSA-N -1 3 293.351 3.223 20 0 CGADHM [O-]c1cccnc1CN1CCC[C@@H]1c1ccc(F)cc1 ZINC000554851675 289313399 /nfs/dbraw/zinc/31/33/99/289313399.db2.gz JBQIZOJTTCSOTJ-OAHLLOKOSA-N -1 3 272.323 3.263 20 0 CGADHM Cc1cc(C)nc(Sc2n[n-]c(-c3ccccc3)n2)n1 ZINC000555949314 289366038 /nfs/dbraw/zinc/36/60/38/289366038.db2.gz GEPIBPXFPOCPLW-UHFFFAOYSA-N -1 3 283.360 3.030 20 0 CGADHM CC(=O)c1cccc(NC(=O)CSCCC(C)C)c1[O-] ZINC000556891626 289419411 /nfs/dbraw/zinc/41/94/11/289419411.db2.gz FESDKJUBHPGCQZ-UHFFFAOYSA-N -1 3 295.404 3.313 20 0 CGADHM Cc1ncc(C(=O)Nc2c([O-])cccc2Cl)s1 ZINC000557182391 289434492 /nfs/dbraw/zinc/43/44/92/289434492.db2.gz PYGBWHBCYIBHAR-UHFFFAOYSA-N -1 3 268.725 3.063 20 0 CGADHM CCc1ccc([O-])c(C(=O)N[C@@H](C)Cc2cccc(O)c2)c1 ZINC000560639485 289611614 /nfs/dbraw/zinc/61/16/14/289611614.db2.gz FSVUPEUULQRMMD-LBPRGKRZSA-N -1 3 299.370 3.021 20 0 CGADHM CC(C)(CC(=O)N=c1cc2ccccn2[n-]1)c1ccccc1 ZINC000561154932 289626957 /nfs/dbraw/zinc/62/69/57/289626957.db2.gz UHFAJPLWEHWWSQ-UHFFFAOYSA-N -1 3 293.370 3.063 20 0 CGADHM C[C@H]1CCCCN1C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436755061 290381069 /nfs/dbraw/zinc/38/10/69/290381069.db2.gz LUARTRMRWXCRPU-LBPRGKRZSA-N -1 3 273.376 3.286 20 0 CGADHM Cc1csc2[n-]c(-c3cc(C)ccn3)nc(=O)c12 ZINC000348996176 293071453 /nfs/dbraw/zinc/07/14/53/293071453.db2.gz PUNFMPPWQRUVRO-UHFFFAOYSA-N -1 3 257.318 3.076 20 0 CGADHM CO[C@H](C)C(=O)[N-]c1onc(C2CCCCC2)c1C ZINC000291515211 294213708 /nfs/dbraw/zinc/21/37/08/294213708.db2.gz YCICFLRTYDYHCK-SNVBAGLBSA-N -1 3 266.341 3.004 20 0 CGADHM COc1ccc(C(=O)N2CC[C@]3(CC[C@@H](C)C3)C2)c([O-])c1 ZINC000368055635 295091070 /nfs/dbraw/zinc/09/10/70/295091070.db2.gz FVNWIVZJVHDDIN-PXAZEXFGSA-N -1 3 289.375 3.053 20 0 CGADHM O=C(c1ccccc1[O-])N1CCSC[C@@H]1c1ccccc1 ZINC000115236813 304567480 /nfs/dbraw/zinc/56/74/80/304567480.db2.gz IKYGMOFLVBVRTP-OAHLLOKOSA-N -1 3 299.395 3.323 20 0 CGADHM Cc1ccc(C(=O)N2CCC[C@@H]3CCC[C@H]32)c([O-])c1C ZINC000271420838 301503567 /nfs/dbraw/zinc/50/35/67/301503567.db2.gz RGJMAQUKLSYANN-DZGCQCFKSA-N -1 3 273.376 3.414 20 0 CGADHM Cc1cccc2c(=O)c(C(=O)N3CCC(C)(C)C3)c[n-]c12 ZINC000164254930 302054209 /nfs/dbraw/zinc/05/42/09/302054209.db2.gz VZWNCPRNVIYTNH-UHFFFAOYSA-N -1 3 284.359 3.121 20 0 CGADHM COc1ccc(CN[C@H](C)CCCCC(=O)[O-])c(Cl)c1 ZINC000426661112 533695870 /nfs/dbraw/zinc/69/58/70/533695870.db2.gz COWAOYPAAJVPBV-LLVKDONJSA-N -1 3 299.798 3.472 20 0 CGADHM CCC[C@H]1CCCN(C(=O)c2cc(C)ccc2[O-])C1 ZINC000155113427 321757844 /nfs/dbraw/zinc/75/78/44/321757844.db2.gz PKZNCHKPSZWLNN-ZDUSSCGKSA-N -1 3 261.365 3.353 20 0 CGADHM CC[C@@H](C)CN(CC)C(=O)Cc1ccc([O-])cc1Cl ZINC000156447229 321781131 /nfs/dbraw/zinc/78/11/31/321781131.db2.gz YUVZXGOWYPQPPK-LLVKDONJSA-N -1 3 283.799 3.483 20 0 CGADHM O=C(NCc1ncccc1[O-])[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000332939903 321964433 /nfs/dbraw/zinc/96/44/33/321964433.db2.gz HEOOVMDOLQJZLZ-HZSPNIEDSA-N -1 3 288.391 3.010 20 0 CGADHM C[C@@H]1C[C@@H](C)N(Cc2cc(C(=O)[O-])ccc2Cl)C1 ZINC000565103309 322060312 /nfs/dbraw/zinc/06/03/12/322060312.db2.gz DZZGDPNLKSWPBM-NXEZZACHSA-N -1 3 267.756 3.269 20 0 CGADHM O=c1cc(CNc2cccc3cc[nH]c32)nc(C2CC2)[n-]1 ZINC000565293839 322072125 /nfs/dbraw/zinc/07/21/25/322072125.db2.gz YIZHVDACDODKFT-UHFFFAOYSA-N -1 3 280.331 3.153 20 0 CGADHM Cc1ccc(CN(C)Cc2ccoc2C(=O)[O-])cc1C ZINC000566690151 322135001 /nfs/dbraw/zinc/13/50/01/322135001.db2.gz ZBTDUVNBJMYGBF-UHFFFAOYSA-N -1 3 273.332 3.227 20 0 CGADHM CC[C@]1(C)C[C@H]1C(=O)Nc1c([O-])cccc1Cl ZINC000567249142 322156377 /nfs/dbraw/zinc/15/63/77/322156377.db2.gz YUUFEKWSKVXUOO-ISVAXAHUSA-N -1 3 253.729 3.420 20 0 CGADHM Cc1cc(CN2CC[C@]3(CC[C@H](C)C3)C2)oc1C(=O)[O-] ZINC000567620179 322170691 /nfs/dbraw/zinc/17/06/91/322170691.db2.gz STJXCJOYWHCKNS-ZBEGNZNMSA-N -1 3 277.364 3.298 20 0 CGADHM C[C@H](CN(Cc1cccc(Cl)c1F)C1CC1)C(=O)[O-] ZINC000568642107 322216777 /nfs/dbraw/zinc/21/67/77/322216777.db2.gz XSLLPJQUPSIGKM-SECBINFHSA-N -1 3 285.746 3.164 20 0 CGADHM O=C([O-])c1cc(CN2CCSC3(CCC3)CC2)cs1 ZINC000568885183 322226557 /nfs/dbraw/zinc/22/65/57/322226557.db2.gz CXONXDXNUCOBFI-UHFFFAOYSA-N -1 3 297.445 3.308 20 0 CGADHM CC1([C@@H](NCc2cccc(F)c2F)C(=O)[O-])CCCCC1 ZINC000569061931 322233129 /nfs/dbraw/zinc/23/31/29/322233129.db2.gz MNJTUKOMQMGKDK-AWEZNQCLSA-N -1 3 297.345 3.478 20 0 CGADHM CC[C@@H](C)c1n[n-]c(=NC(C)(C)C)n1Cc1ccccc1 ZINC000569777622 322256789 /nfs/dbraw/zinc/25/67/89/322256789.db2.gz OPGQAGYFJVWQTM-CYBMUJFWSA-N -1 3 286.423 3.472 20 0 CGADHM CCCCn1c(=O)[n-]nc1SCc1ccsc1 ZINC000569989424 322262459 /nfs/dbraw/zinc/26/24/59/322262459.db2.gz YWQAEXMUNZFVNM-UHFFFAOYSA-N -1 3 269.395 3.138 20 0 CGADHM C[C@H]1c2cc(F)cc(F)c2CCN1Cc1ncccc1[O-] ZINC000570604391 322277514 /nfs/dbraw/zinc/27/75/14/322277514.db2.gz HOROUPLQBUAOCY-JTQLQIEISA-N -1 3 290.313 3.185 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2ccc3oc(CO)cc3c2)c1 ZINC000570651934 322279059 /nfs/dbraw/zinc/27/90/59/322279059.db2.gz RWBLLWBMAGQXDB-UHFFFAOYSA-N -1 3 297.310 3.191 20 0 CGADHM O=C(Nc1ccc(Br)cc1[O-])[C@@]12C[C@@H]1CCC2 ZINC000570830671 322283325 /nfs/dbraw/zinc/28/33/25/322283325.db2.gz DYBFGOBTZBLWKB-SDBXPKJASA-N -1 3 296.164 3.283 20 0 CGADHM CCn1c2ccccc2nc1SCc1ncccc1[O-] ZINC000571503627 322300309 /nfs/dbraw/zinc/30/03/09/322300309.db2.gz AXKWSNKUFDFILY-UHFFFAOYSA-N -1 3 285.372 3.449 20 0 CGADHM CN(CCc1cccs1)Cc1csc(C(=O)[O-])c1 ZINC000571887982 322310611 /nfs/dbraw/zinc/31/06/11/322310611.db2.gz FTCAYLLEJHEOJU-UHFFFAOYSA-N -1 3 281.402 3.182 20 0 CGADHM CC(C)c1nnc(C(=O)[N-]c2ncsc2C(C)C)s1 ZINC000573018710 322366426 /nfs/dbraw/zinc/36/64/26/322366426.db2.gz BBXGIFJNDHRFHW-UHFFFAOYSA-N -1 3 296.421 3.494 20 0 CGADHM CC(=O)c1cccc(NC(=O)[C@]2(C)CCC[C@@H]2C)c1[O-] ZINC000573492434 322390612 /nfs/dbraw/zinc/39/06/12/322390612.db2.gz FHLHEMYTNZIUNX-MGPLVRAMSA-N -1 3 275.348 3.360 20 0 CGADHM C[C@@H]1CC[C@H](NC(=O)c2c[n-]nc2-c2ccccn2)[C@H](C)C1 ZINC000573611900 322397302 /nfs/dbraw/zinc/39/73/02/322397302.db2.gz UOZGZCMZZZDBNO-BZPMIXESSA-N -1 3 298.390 3.026 20 0 CGADHM CCO[C@@H](CC)C(=O)[N-]c1onc(C(F)(F)F)c1CC ZINC000583572905 328617359 /nfs/dbraw/zinc/61/73/59/328617359.db2.gz FXEUTNZKMPACTG-QMMMGPOBSA-N -1 3 294.273 3.009 20 0 CGADHM CCC[C@@H](C)S(=O)(=O)[N-]c1cnn([C@@H](C)CC)c1C ZINC000582550189 329106083 /nfs/dbraw/zinc/10/60/83/329106083.db2.gz OWYLOEAHOYZZRM-WDEREUQCSA-N -1 3 287.429 3.093 20 0 CGADHM CCc1ccc2nccc(N3CC[C@H](C(=O)[O-])[C@H]3C)c2c1 ZINC000582668943 329122376 /nfs/dbraw/zinc/12/23/76/329122376.db2.gz QTLHAIFNQZWKEA-YPMHNXCESA-N -1 3 284.359 3.097 20 0 CGADHM C[C@H]1CCC(=Cc2nc(-c3ccc4n[n-]nc4c3)no2)C1 ZINC000583119069 329313988 /nfs/dbraw/zinc/31/39/88/329313988.db2.gz OBLAVKWVRQWSTG-HZAKCSEPSA-N -1 3 281.319 3.211 20 0 CGADHM Cc1ccc(C(=O)NCC(C)(C)C(F)(F)F)c([O-])c1 ZINC000583824416 329481659 /nfs/dbraw/zinc/48/16/59/329481659.db2.gz FQMQXQPBBGJYFE-UHFFFAOYSA-N -1 3 275.270 3.019 20 0 CGADHM COCC1(CC(=O)N2CC[C@@H](C)c3cccc([O-])c32)CC1 ZINC000580449807 330137799 /nfs/dbraw/zinc/13/77/99/330137799.db2.gz BBMMFGUTVNZBTR-GFCCVEGCSA-N -1 3 289.375 3.049 20 0 CGADHM CS[C@H]1CCCCN(Cc2cc(C(=O)[O-])c(C)o2)C1 ZINC000576114099 335156624 /nfs/dbraw/zinc/15/66/24/335156624.db2.gz LANHYDQVQKUBBK-LBPRGKRZSA-N -1 3 283.393 3.004 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])c1csc(C2CC2)n1 ZINC000174873098 335167982 /nfs/dbraw/zinc/16/79/82/335167982.db2.gz SIUNJHCCLLPSBZ-UHFFFAOYSA-N -1 3 278.308 3.118 20 0 CGADHM Cc1cc(C(=O)Nc2cc(F)ccc2[O-])c(F)cc1F ZINC000174880929 335168331 /nfs/dbraw/zinc/16/83/31/335168331.db2.gz YCSYSLWIZBNLBO-UHFFFAOYSA-N -1 3 281.233 3.370 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])c1cccc2cc[nH]c21 ZINC000174886094 335168621 /nfs/dbraw/zinc/16/86/21/335168621.db2.gz ILRXGYNSWJQUSV-UHFFFAOYSA-N -1 3 270.263 3.265 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])c1ccc2ccccc2n1 ZINC000174904343 335169247 /nfs/dbraw/zinc/16/92/47/335169247.db2.gz BLNLWGQMEGMEFY-UHFFFAOYSA-N -1 3 282.274 3.332 20 0 CGADHM CC[C@H](CC(F)(F)F)C(=O)Nc1cccc([O-])c1F ZINC000576583419 335222202 /nfs/dbraw/zinc/22/22/02/335222202.db2.gz BRXQUECKADTJFD-SSDOTTSWSA-N -1 3 279.233 3.448 20 0 CGADHM Cc1c2ccccc2nc(CN(C)CCC2CC2)c1C(=O)[O-] ZINC000577380541 335345419 /nfs/dbraw/zinc/34/54/19/335345419.db2.gz BKCHHFJLZQNLJQ-UHFFFAOYSA-N -1 3 298.386 3.473 20 0 CGADHM COC(=O)c1ccc(-c2nc([C@H]3CCC[C@@H](C)C3)no2)[n-]1 ZINC000350505215 335508711 /nfs/dbraw/zinc/50/87/11/335508711.db2.gz ARGHNFKMXAWFFS-ZJUUUORDSA-N -1 3 289.335 3.145 20 0 CGADHM CCOc1cc(-c2noc(-c3ccco3)n2)ccc1[O-] ZINC000350794124 335533791 /nfs/dbraw/zinc/53/37/91/335533791.db2.gz ORBAJAISBFKNFW-UHFFFAOYSA-N -1 3 272.260 3.101 20 0 CGADHM [O-]c1cccnc1CNC1(c2ccc(F)cc2)CCCC1 ZINC000580861261 335976075 /nfs/dbraw/zinc/97/60/75/335976075.db2.gz WKDRWDVZQUBPTM-UHFFFAOYSA-N -1 3 286.350 3.485 20 0 CGADHM COc1ccc(CCNCc2cccc([O-])c2Cl)cc1 ZINC000381442023 336063977 /nfs/dbraw/zinc/06/39/77/336063977.db2.gz WTFKGJGXHLOKLO-UHFFFAOYSA-N -1 3 291.778 3.387 20 0 CGADHM Cc1oc(CN2CCS[C@H]3CCCC[C@@H]32)cc1C(=O)[O-] ZINC000581553721 336101750 /nfs/dbraw/zinc/10/17/50/336101750.db2.gz BRKSNWXVKMNRQQ-KBPBESRZSA-N -1 3 295.404 3.146 20 0 CGADHM COc1cccc(C(=O)N(C)Cc2sccc2C)c1[O-] ZINC000383655879 336116113 /nfs/dbraw/zinc/11/61/13/336116113.db2.gz RBVAQPAQTXBHIM-UHFFFAOYSA-N -1 3 291.372 3.043 20 0 CGADHM CCCN(Cc1ccoc1C(=O)[O-])Cc1ccccc1 ZINC000383785422 336117844 /nfs/dbraw/zinc/11/78/44/336117844.db2.gz LRNBBOAGYNFPNZ-UHFFFAOYSA-N -1 3 273.332 3.390 20 0 CGADHM O=C(/C=C/c1ccc2ccccc2c1)[N-]OCC(F)(F)F ZINC000492640004 501038793 /nfs/dbraw/zinc/03/87/93/501038793.db2.gz LJGRLQVILJYFAL-SOFGYWHQSA-N -1 3 295.260 3.463 20 0 CGADHM C[C@@H]1CC[C@](CNCc2cc(F)ccc2F)(CC(=O)[O-])C1 ZINC000426638314 534264049 /nfs/dbraw/zinc/26/40/49/534264049.db2.gz PUQFMYOXDLKKGE-BDJLRTHQSA-N -1 3 297.345 3.336 20 0 CGADHM O=C([O-])[C@H]1CC12CCN(Cc1ccc(C(F)F)cc1)CC2 ZINC000405361108 518201525 /nfs/dbraw/zinc/20/15/25/518201525.db2.gz OUILHSSMYXKOHG-CYBMUJFWSA-N -1 3 295.329 3.311 20 0 CGADHM Cc1noc([N-]C(=O)C(C)(C)Oc2ccc(F)cc2)c1C ZINC000358323519 534429514 /nfs/dbraw/zinc/42/95/14/534429514.db2.gz VRLYKAHOJKYZIP-UHFFFAOYSA-N -1 3 292.310 3.227 20 0 CGADHM [O-]c1ccc(-c2noc(-c3ccc(C4CC4)cn3)n2)cc1 ZINC000445262607 534448730 /nfs/dbraw/zinc/44/87/30/534448730.db2.gz WJLKZRPTINNPNM-UHFFFAOYSA-N -1 3 279.299 3.382 20 0 CGADHM [O-]c1cc2c(cc1-c1nc(-c3ccccn3)no1)CCCC2 ZINC000436890130 534450132 /nfs/dbraw/zinc/45/01/32/534450132.db2.gz DQFPIHBBXJBPJU-UHFFFAOYSA-N -1 3 293.326 3.383 20 0 CGADHM O=C([O-])[C@H](NCc1cccc2[nH]ccc21)c1cccc(F)c1 ZINC000426801913 534531474 /nfs/dbraw/zinc/53/14/74/534531474.db2.gz SZVXKUNOBVXSCD-MRXNPFEDSA-N -1 3 298.317 3.223 20 0 CGADHM Cc1ccc2oc(C(=O)Nc3cc(F)ccc3[O-])cc2n1 ZINC000174900150 534535437 /nfs/dbraw/zinc/53/54/37/534535437.db2.gz ZKPDHDHJDXHPBO-UHFFFAOYSA-N -1 3 286.262 3.233 20 0 CGADHM Cc1cccc(C(=O)NCCc2ccccc2Cl)c1[O-] ZINC000436653099 534605576 /nfs/dbraw/zinc/60/55/76/534605576.db2.gz SJSLZCGILCGFGM-UHFFFAOYSA-N -1 3 289.762 3.327 20 0 CGADHM Cc1cccc(C(=O)NC[C@H]2CCCC(F)(F)C2)c1[O-] ZINC000436499030 534607840 /nfs/dbraw/zinc/60/78/40/534607840.db2.gz YKBKWZPVYBVYAO-NSHDSACASA-N -1 3 283.318 3.256 20 0 CGADHM CC(C)(C)C[C@@H](N=c1ncnc2[nH][n-]cc1-2)c1ccccc1 ZINC000462869482 534619657 /nfs/dbraw/zinc/61/96/57/534619657.db2.gz BRSITBWGNJLQOK-CQSZACIVSA-N -1 3 295.390 3.316 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)N1CCCCc2ccccc21 ZINC000448904681 534698761 /nfs/dbraw/zinc/69/87/61/534698761.db2.gz SUZOIBDTHVKWNM-UHFFFAOYSA-N -1 3 299.345 3.443 20 0 CGADHM COc1ccc(C(=O)N(CC(C)C)C2CCCC2)c([O-])c1 ZINC000083946029 523610079 /nfs/dbraw/zinc/61/00/79/523610079.db2.gz ISZKKPKWEXMDFV-UHFFFAOYSA-N -1 3 291.391 3.442 20 0 CGADHM CC(C)(C)[N-]S(=O)(=O)c1ccc2ccccc2c1F ZINC000450965938 534722790 /nfs/dbraw/zinc/72/27/90/534722790.db2.gz IWAVZXIBCXFWBL-UHFFFAOYSA-N -1 3 281.352 3.056 20 0 CGADHM CCc1cc(C(=O)N2CCSC(C)(C)CC2)ccc1[O-] ZINC000292772619 523756874 /nfs/dbraw/zinc/75/68/74/523756874.db2.gz GOJKYLPUQJPMEZ-UHFFFAOYSA-N -1 3 293.432 3.312 20 0 CGADHM O=C(NCC(F)F)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436577025 534806067 /nfs/dbraw/zinc/80/60/67/534806067.db2.gz QTYLGTMPGMXDMZ-UHFFFAOYSA-N -1 3 293.269 3.179 20 0 CGADHM O=C(Nc1ccc(F)cn1)c1ccc2c(c1[O-])CCCC2 ZINC000436961782 534831605 /nfs/dbraw/zinc/83/16/05/534831605.db2.gz UVCDDRZPTQWBCD-UHFFFAOYSA-N -1 3 286.306 3.057 20 0 CGADHM Cc1noc(-c2cc(Cc3ccccc3)ccc2[O-])n1 ZINC000436887727 534874974 /nfs/dbraw/zinc/87/49/74/534874974.db2.gz PAYCXBKAUKNENZ-UHFFFAOYSA-N -1 3 266.300 3.341 20 0 CGADHM Cc1ccc([C@H]2CCN(C(=O)c3ccccc3[O-])C2)cc1 ZINC000374604728 526018251 /nfs/dbraw/zinc/01/82/51/526018251.db2.gz NYFDYEMHBSKRHS-HNNXBMFYSA-N -1 3 281.355 3.330 20 0 CGADHM Cc1nc(CC(C)C)c(NC([O-])=NOCC2CC2)s1 ZINC000292800083 526797223 /nfs/dbraw/zinc/79/72/23/526797223.db2.gz RIUYJHWDOZUIBV-UHFFFAOYSA-N -1 3 283.397 3.113 20 0 CGADHM Cc1nc(CC(C)C)c(NC(=O)[N-]OCC2CC2)s1 ZINC000292800083 526797230 /nfs/dbraw/zinc/79/72/30/526797230.db2.gz RIUYJHWDOZUIBV-UHFFFAOYSA-N -1 3 283.397 3.113 20 0 CGADHM CC(=O)c1ccc(C(=O)Nc2cccc(C)c2)cc1[O-] ZINC000436848622 527268745 /nfs/dbraw/zinc/26/87/45/527268745.db2.gz WFRAJZTWUIUSAW-UHFFFAOYSA-N -1 3 269.300 3.156 20 0 CGADHM CC1(C)C[C@H](NC(=O)c2c([O-])cccc2O)c2ccccc21 ZINC000436648689 527739059 /nfs/dbraw/zinc/73/90/59/527739059.db2.gz QNWYXMIQKVAYSR-ZDUSSCGKSA-N -1 3 297.354 3.250 20 0 CGADHM CC(C)[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000440402141 527754966 /nfs/dbraw/zinc/75/49/66/527754966.db2.gz QIGQGRJYAVJUDI-UHFFFAOYSA-N -1 3 283.780 3.180 20 0 CGADHM CC1(C)Cc2ccc(C(=O)NCC3CCCC3)c([O-])c2O1 ZINC000436681657 527776038 /nfs/dbraw/zinc/77/60/38/527776038.db2.gz NPJYMSBVVIGFSX-UHFFFAOYSA-N -1 3 289.375 3.026 20 0 CGADHM CC(C)[C@H]1CCC[C@H](NC(=O)c2ccccc2[O-])C1 ZINC000436593803 527792018 /nfs/dbraw/zinc/79/20/18/527792018.db2.gz DSCWZCUJJXKTNH-STQMWFEESA-N -1 3 261.365 3.337 20 0 CGADHM CCO[C@H](CNC(=O)c1ccc(C)cc1[O-])c1ccccc1 ZINC000436706654 528057284 /nfs/dbraw/zinc/05/72/84/528057284.db2.gz MRIXJQYXULANOQ-QGZVFWFLSA-N -1 3 299.370 3.208 20 0 CGADHM CC(C)c1ccc(C(=O)NCCCc2ccccn2)c([O-])c1 ZINC000436606931 528069426 /nfs/dbraw/zinc/06/94/26/528069426.db2.gz RGHDUQYKQIDAFE-UHFFFAOYSA-N -1 3 298.386 3.273 20 0 CGADHM CC(C)c1ccc(C(=O)NC[C@@H]2C[C@@H](C)O[C@@H]2C)c([O-])c1 ZINC000412693492 528070736 /nfs/dbraw/zinc/07/07/36/528070736.db2.gz TUYSZLIILAFNBX-BZPMIXESSA-N -1 3 291.391 3.059 20 0 CGADHM CC(C)c1ccc(C(=O)NC[C@H](C)C(F)(F)F)c([O-])c1 ZINC000436956352 528072526 /nfs/dbraw/zinc/07/25/26/528072526.db2.gz MEOXSUXYDRJAAA-VIFPVBQESA-N -1 3 289.297 3.444 20 0 CGADHM CC(C)c1ccc(C(=O)N[C@H](C)C(F)(F)F)c([O-])c1 ZINC000436750431 528077472 /nfs/dbraw/zinc/07/74/72/528077472.db2.gz WVWPPVLKKTVGEN-MRVPVSSYSA-N -1 3 275.270 3.196 20 0 CGADHM CC(C)[C@@H](C(=O)[O-])[C@H](C)NCc1cccc(Cl)c1F ZINC000424615701 528376924 /nfs/dbraw/zinc/37/69/24/528376924.db2.gz FAXIPZIKILAQDM-JOYOIKCWSA-N -1 3 287.762 3.314 20 0 CGADHM CCCNc1ccc(CNC(=O)c2ccccc2[O-])cc1 ZINC000436903115 528570327 /nfs/dbraw/zinc/57/03/27/528570327.db2.gz HEYSTSVCVVLWHZ-UHFFFAOYSA-N -1 3 284.359 3.144 20 0 CGADHM CCCc1cc(C(=O)Nc2ccc([O-])cc2F)ccn1 ZINC000436997044 528595378 /nfs/dbraw/zinc/59/53/78/528595378.db2.gz MKWPMADCSBNUCZ-UHFFFAOYSA-N -1 3 274.295 3.131 20 0 CGADHM CCCCOc1ccc(C(=O)N[C@H](C)CSC)c([O-])c1 ZINC000436990196 528667316 /nfs/dbraw/zinc/66/73/16/528667316.db2.gz PMKSYHLYBAZNRM-LLVKDONJSA-N -1 3 297.420 3.052 20 0 CGADHM CCC(CC)[C@@H](CCNC(=O)c1ccc([O-])c(C)c1)OC ZINC000436931379 528817243 /nfs/dbraw/zinc/81/72/43/528817243.db2.gz BPZBNHCGKLMACV-MRXNPFEDSA-N -1 3 293.407 3.272 20 0 CGADHM CCCSC[C@@H](NCc1coc2ccccc12)C(=O)[O-] ZINC000426766570 528829665 /nfs/dbraw/zinc/82/96/65/528829665.db2.gz FTPYTOBGZKYFLZ-CYBMUJFWSA-N -1 3 293.388 3.119 20 0 CGADHM CCCC[C@@H]1CCC[C@@H]1NC(=O)c1ccc([O-])c(OC)c1 ZINC000436636496 528868408 /nfs/dbraw/zinc/86/84/08/528868408.db2.gz YRHCICFGGRRYKY-OCCSQVGLSA-N -1 3 291.391 3.490 20 0 CGADHM CC(C)[C@H](C(=O)[O-])[C@H](C)NCc1c(F)cccc1Cl ZINC000424608212 528930930 /nfs/dbraw/zinc/93/09/30/528930930.db2.gz AFEYCAJBPWPZKV-ZANVPECISA-N -1 3 287.762 3.314 20 0 CGADHM CCCCn1c(=O)[n-]nc1S[C@H]1CCCC(C)(C)C1=O ZINC000412981812 529071406 /nfs/dbraw/zinc/07/14/06/529071406.db2.gz HBMDBIOCBDFZPH-JTQLQIEISA-N -1 3 297.424 3.024 20 0 CGADHM CCN(C(=O)c1ccc([O-])c(OC)c1)C1CC(C)(C)C1 ZINC000413990659 529084670 /nfs/dbraw/zinc/08/46/70/529084670.db2.gz SYKKHSYJHLFFIS-UHFFFAOYSA-N -1 3 277.364 3.052 20 0 CGADHM CCSCCSCc1noc(-c2ccccc2[O-])n1 ZINC000363905210 529181624 /nfs/dbraw/zinc/18/16/24/529181624.db2.gz MUCSLAUJZAVMKU-UHFFFAOYSA-N -1 3 296.417 3.429 20 0 CGADHM CCS[C@@H]1CCCCN(C(=O)c2ccc(C)cc2[O-])C1 ZINC000436543923 529206776 /nfs/dbraw/zinc/20/67/76/529206776.db2.gz HKLIHTQLMGQNFP-CYBMUJFWSA-N -1 3 293.432 3.448 20 0 CGADHM CCS[C@@H]1CC[C@@H](N(C)C(=O)c2ccccc2[O-])C1 ZINC000175392278 529219224 /nfs/dbraw/zinc/21/92/24/529219224.db2.gz MUWQKBHZBQGMEG-VXGBXAGGSA-N -1 3 279.405 3.138 20 0 CGADHM CC[C@H](C)n1ncc(C(=O)Nc2ccccc2[O-])c1C ZINC000359193968 529290996 /nfs/dbraw/zinc/29/09/96/529290996.db2.gz WHOWIVVCLNHOFZ-JTQLQIEISA-N -1 3 273.336 3.120 20 0 CGADHM CC[C@@H]1CCN(C(=O)c2ccc(C(C)C)cc2[O-])C1 ZINC000436579918 529326048 /nfs/dbraw/zinc/32/60/48/529326048.db2.gz VUHXFJQAOFIVNP-GFCCVEGCSA-N -1 3 261.365 3.388 20 0 CGADHM CC(C)c1ccoc1-c1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000517466944 535376811 /nfs/dbraw/zinc/37/68/11/535376811.db2.gz POIQZJVOOIBZIE-UHFFFAOYSA-N -1 3 295.302 3.391 20 0 CGADHM CCc1cc(C(=O)N2CC[C@H]2Cc2ccccc2)ccc1[O-] ZINC000486589219 536114283 /nfs/dbraw/zinc/11/42/83/536114283.db2.gz ZQSCSJVXEYYZGY-KRWDZBQOSA-N -1 3 295.382 3.412 20 0 CGADHM CCc1cc(C(=O)NCc2ccc(C)c(OC)c2)ccc1[O-] ZINC000485925242 536124566 /nfs/dbraw/zinc/12/45/66/536124566.db2.gz RSJKRVXEVFONJO-UHFFFAOYSA-N -1 3 299.370 3.202 20 0 CGADHM CC[C@H](C)NCc1cccc([O-])c1Br ZINC000315289154 536170853 /nfs/dbraw/zinc/17/08/53/536170853.db2.gz DDHIFPRNZCWAAY-QMMMGPOBSA-N -1 3 258.159 3.043 20 0 CGADHM COc1ccc(F)c(NC(=O)c2ccc(C)cc2[O-])c1 ZINC000094820371 536608608 /nfs/dbraw/zinc/60/86/08/536608608.db2.gz ROJBHOMYRJUDQH-UHFFFAOYSA-N -1 3 275.279 3.101 20 0 CGADHM COc1ccc(CN2C[C@@H](C(=O)[O-])CC[C@H]2C)cc1Cl ZINC000263487521 536861766 /nfs/dbraw/zinc/86/17/66/536861766.db2.gz HURFNWWCBZUUCS-PWSUYJOCSA-N -1 3 297.782 3.034 20 0 CGADHM COc1cccc([C@@H]2CCCN2Cc2nc(C)ccc2[O-])c1 ZINC000124222069 537138665 /nfs/dbraw/zinc/13/86/65/537138665.db2.gz FYVMKOSNKMUCTB-KRWDZBQOSA-N -1 3 298.386 3.441 20 0 CGADHM C/C(=C\C(=O)Nc1ncccc1[O-])c1ccccc1Cl ZINC000727483419 571751018 /nfs/dbraw/zinc/75/10/18/571751018.db2.gz QDEQRWHKTYDPHT-MDZDMXLPSA-N -1 3 288.734 3.483 20 0 CGADHM CN(CC1CCOCC1)C(=O)c1cc([O-])c2ccccc2c1 ZINC000335689287 571752221 /nfs/dbraw/zinc/75/22/21/571752221.db2.gz LMIIWTNCXSTKJA-UHFFFAOYSA-N -1 3 299.370 3.044 20 0 CGADHM O=C(OCc1ccc2ccccc2n1)c1ccc([O-])cc1 ZINC000728854757 571834236 /nfs/dbraw/zinc/83/42/36/571834236.db2.gz RXZJYFPPRIDGHC-UHFFFAOYSA-N -1 3 279.295 3.297 20 0 CGADHM Cc1oc([C@@H](C)N2CCC(C)CC2)cc1C(=O)[O-] ZINC000518547208 572330172 /nfs/dbraw/zinc/33/01/72/572330172.db2.gz YVINOLFNCYSLDV-SNVBAGLBSA-N -1 3 251.326 3.079 20 0 CGADHM CC[C@@H](C)OC(=O)c1cccc(Br)c1[O-] ZINC000738650350 572385255 /nfs/dbraw/zinc/38/52/55/572385255.db2.gz MEKOZVSPALRDJN-SSDOTTSWSA-N -1 3 273.126 3.110 20 0 CGADHM Cc1cccc2c1CCN(Cc1cccc(C(=O)[O-])c1)C2 ZINC000738747987 572391320 /nfs/dbraw/zinc/39/13/20/572391320.db2.gz NLMFKVHNDAZMGL-UHFFFAOYSA-N -1 3 281.355 3.252 20 0 CGADHM C[C@H](CNC(=O)NCc1ccc([O-])c(F)c1)C(C)(C)C ZINC000739020448 572399314 /nfs/dbraw/zinc/39/93/14/572399314.db2.gz RLUFCKWPYCINDK-SNVBAGLBSA-N -1 3 282.359 3.013 20 0 CGADHM C[C@H](NC[C@@H]1CCCN(C(=O)[O-])C1)c1c(F)cccc1F ZINC000739037726 572415808 /nfs/dbraw/zinc/41/58/08/572415808.db2.gz YHWQBWBDKZLWFE-QWRGUYRKSA-N -1 3 298.333 3.005 20 0 CGADHM O=C([O-])[C@H](NCc1ccc(Cl)s1)c1ccc(F)cc1 ZINC000739500621 572417264 /nfs/dbraw/zinc/41/72/64/572417264.db2.gz QYUQSOBBARWKBW-GFCCVEGCSA-N -1 3 299.754 3.456 20 0 CGADHM Cc1ccc([C@@H]2CCCCN2C[C@H]2CCN(C(=O)[O-])C2)o1 ZINC000740116600 572432773 /nfs/dbraw/zinc/43/27/73/572432773.db2.gz BECYLRXZCPSSTF-KGLIPLIRSA-N -1 3 292.379 3.115 20 0 CGADHM O=C([O-])c1ccc(CN2CC[C@H](c3ccccc3F)C2)o1 ZINC000740124386 572432800 /nfs/dbraw/zinc/43/28/00/572432800.db2.gz RNMXKHHJVLFALN-NSHDSACASA-N -1 3 289.306 3.106 20 0 CGADHM O=C(OCc1csc2ccccc12)c1cncc([O-])c1 ZINC000732394473 572461990 /nfs/dbraw/zinc/46/19/90/572461990.db2.gz NAGQPSGDIYKATC-UHFFFAOYSA-N -1 3 285.324 3.359 20 0 CGADHM C[C@H](c1ccccc1F)N(C)CC1CCN(C(=O)[O-])CC1 ZINC000739062047 572462479 /nfs/dbraw/zinc/46/24/79/572462479.db2.gz ZUMFYEFEMJGSDJ-GFCCVEGCSA-N -1 3 294.370 3.209 20 0 CGADHM O=C(C[C@H]1CCc2ccccc2C1)[N-]OCc1ccccc1 ZINC000732549888 572471268 /nfs/dbraw/zinc/47/12/68/572471268.db2.gz GPYZXNMQHLYXJZ-INIZCTEOSA-N -1 3 295.382 3.430 20 0 CGADHM [O-]c1ccccc1-c1nc(COCc2ccccc2)no1 ZINC000395553873 572479626 /nfs/dbraw/zinc/47/96/26/572479626.db2.gz BAKUPKOMLHXUJA-UHFFFAOYSA-N -1 3 282.299 3.159 20 0 CGADHM COCc1cccc(OC(=O)c2cc(-c3ccoc3)[n-]n2)c1 ZINC000733073557 572505223 /nfs/dbraw/zinc/50/52/23/572505223.db2.gz MNPGFVDFGJIUGZ-UHFFFAOYSA-N -1 3 298.298 3.035 20 0 CGADHM CCC(CC)(C[N-]C(=O)C(F)(F)F)c1ccccc1 ZINC000742852664 572622244 /nfs/dbraw/zinc/62/22/44/572622244.db2.gz HYKYYWSNLLXRAU-UHFFFAOYSA-N -1 3 273.298 3.423 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-]C2[C@H](C)CCC[C@H]2C)c(F)c1 ZINC000735082813 572699868 /nfs/dbraw/zinc/69/98/68/572699868.db2.gz QSHRFALLTZRACB-VXGBXAGGSA-N -1 3 299.411 3.237 20 0 CGADHM Cc1cccc([C@H](C)OC(=O)c2ccc([O-])cc2O)c1 ZINC000736029394 572763230 /nfs/dbraw/zinc/76/32/30/572763230.db2.gz IKZLYGNKDHXADN-NSHDSACASA-N -1 3 272.300 3.324 20 0 CGADHM C[C@H](CSc1cc(-c2nnn[n-]2)ccn1)c1ccccc1 ZINC000736046427 572765414 /nfs/dbraw/zinc/76/54/14/572765414.db2.gz JJGOPGVJYDUVOA-LLVKDONJSA-N -1 3 297.387 3.158 20 0 CGADHM C[C@H](CSc1cc(-c2nn[n-]n2)ccn1)c1ccccc1 ZINC000736046427 572765417 /nfs/dbraw/zinc/76/54/17/572765417.db2.gz JJGOPGVJYDUVOA-LLVKDONJSA-N -1 3 297.387 3.158 20 0 CGADHM CC1(C)CCCN(c2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000736211188 572772451 /nfs/dbraw/zinc/77/24/51/572772451.db2.gz MQRBUWIVYKBFKO-UHFFFAOYSA-N -1 3 291.786 3.147 20 0 CGADHM CC1(C)CCCN(c2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000736211188 572772453 /nfs/dbraw/zinc/77/24/53/572772453.db2.gz MQRBUWIVYKBFKO-UHFFFAOYSA-N -1 3 291.786 3.147 20 0 CGADHM C[C@H]1CCC[C@@H]1Nc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000736261609 572778011 /nfs/dbraw/zinc/77/80/11/572778011.db2.gz KZSOCDVZKZKXJB-GWCFXTLKSA-N -1 3 294.362 3.015 20 0 CGADHM C[C@H]1CCC[C@@H]1Nc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000736261609 572778013 /nfs/dbraw/zinc/77/80/13/572778013.db2.gz KZSOCDVZKZKXJB-GWCFXTLKSA-N -1 3 294.362 3.015 20 0 CGADHM CCC[C@@H]1CCCC[C@@H]1Nc1ncccc1-c1nnn[n-]1 ZINC000736435371 572791136 /nfs/dbraw/zinc/79/11/36/572791136.db2.gz LELSERNTYVLHCT-YPMHNXCESA-N -1 3 286.383 3.033 20 0 CGADHM CCC[C@@H]1CCCC[C@@H]1Nc1ncccc1-c1nn[n-]n1 ZINC000736435371 572791140 /nfs/dbraw/zinc/79/11/40/572791140.db2.gz LELSERNTYVLHCT-YPMHNXCESA-N -1 3 286.383 3.033 20 0 CGADHM CCCCC[C@H](C)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC000736442690 572792379 /nfs/dbraw/zinc/79/23/79/572792379.db2.gz YKVBVBPTZCFQBD-VIFPVBQESA-N -1 3 294.790 3.296 20 0 CGADHM CCCCC[C@H](C)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC000736442690 572792380 /nfs/dbraw/zinc/79/23/80/572792380.db2.gz YKVBVBPTZCFQBD-VIFPVBQESA-N -1 3 294.790 3.296 20 0 CGADHM CC[C@](C)(NCc1cc2ccccc2nc1Cl)C(=O)[O-] ZINC000736862471 572822398 /nfs/dbraw/zinc/82/23/98/572822398.db2.gz CGRUOACXILQYJJ-HNNXBMFYSA-N -1 3 292.766 3.231 20 0 CGADHM CCCC[C@@H](N[C@@H](C)c1cc(F)ccc1OC)C(=O)[O-] ZINC000736981907 572831512 /nfs/dbraw/zinc/83/15/12/572831512.db2.gz KDSUWNSMQRNCKS-GXFFZTMASA-N -1 3 283.343 3.128 20 0 CGADHM Cc1c(Cl)cccc1NCc1ccc(-c2nnn[n-]2)cc1 ZINC000737215313 572866089 /nfs/dbraw/zinc/86/60/89/572866089.db2.gz HACKXRITZYAHEQ-UHFFFAOYSA-N -1 3 299.765 3.441 20 0 CGADHM Cc1c(Cl)cccc1NCc1ccc(-c2nn[n-]n2)cc1 ZINC000737215313 572866094 /nfs/dbraw/zinc/86/60/94/572866094.db2.gz HACKXRITZYAHEQ-UHFFFAOYSA-N -1 3 299.765 3.441 20 0 CGADHM CC(C)[C@H]1CCC[C@@H]([N-]C(=O)C(F)(F)C(F)F)C1 ZINC000749379927 572995186 /nfs/dbraw/zinc/99/51/86/572995186.db2.gz QKUNXZZFPBXSBD-DTWKUNHWSA-N -1 3 269.282 3.218 20 0 CGADHM CC(=O)Nc1ccc(Cl)c(NC(=O)[N-]OCC(C)C)c1 ZINC000750312638 573110177 /nfs/dbraw/zinc/11/01/77/573110177.db2.gz DXLSSBOTIPJXCQ-UHFFFAOYSA-N -1 3 299.758 3.008 20 0 CGADHM O=c1[n-]c(Sc2ncc3ccccn32)nc2ccccc12 ZINC000750530085 573146040 /nfs/dbraw/zinc/14/60/40/573146040.db2.gz DMNCOGQUQCBATP-UHFFFAOYSA-N -1 3 294.339 3.134 20 0 CGADHM CCC(CC)(CC(=O)[O-])NCc1csc(C2CC2)n1 ZINC000828804148 601260776 /nfs/dbraw/zinc/26/07/76/601260776.db2.gz HHJZDLSTECCNES-UHFFFAOYSA-N -1 3 282.409 3.144 20 0 CGADHM CCC[C@]1(C)CCCN(c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821028080 599110408 /nfs/dbraw/zinc/11/04/08/599110408.db2.gz TYNVEEOTNQGHJM-MRXNPFEDSA-N -1 3 285.395 3.273 20 0 CGADHM CC[C@](C)(CC(=O)[O-])NCc1csc(CCC(C)C)n1 ZINC000828671932 602216878 /nfs/dbraw/zinc/21/68/78/602216878.db2.gz IRYSDSLKBFZHRK-OAHLLOKOSA-N -1 3 298.452 3.465 20 0 CGADHM CC(C)[C@@H](C)SCc1ccc(F)cc1-c1nnn[n-]1 ZINC000820021638 599130062 /nfs/dbraw/zinc/13/00/62/599130062.db2.gz XLKVMOALQSCQSO-SECBINFHSA-N -1 3 280.372 3.284 20 0 CGADHM CC(C)[C@@H](C)SCc1ccc(F)cc1-c1nn[n-]n1 ZINC000820021638 599130064 /nfs/dbraw/zinc/13/00/64/599130064.db2.gz XLKVMOALQSCQSO-SECBINFHSA-N -1 3 280.372 3.284 20 0 CGADHM CC(C)[C@@H](C)SCc1ccccc1-c1nnn[n-]1 ZINC000820021873 599130087 /nfs/dbraw/zinc/13/00/87/599130087.db2.gz ZWSQRRMLQOVFFP-SNVBAGLBSA-N -1 3 262.382 3.144 20 0 CGADHM CC(C)[C@@H](C)SCc1ccccc1-c1nn[n-]n1 ZINC000820021873 599130090 /nfs/dbraw/zinc/13/00/90/599130090.db2.gz ZWSQRRMLQOVFFP-SNVBAGLBSA-N -1 3 262.382 3.144 20 0 CGADHM Cc1c(NC(=O)CC2=CCCCC2)cccc1-c1nnn[n-]1 ZINC000822068784 607269533 /nfs/dbraw/zinc/26/95/33/607269533.db2.gz USHDOJCNCHIAQL-UHFFFAOYSA-N -1 3 297.362 3.004 20 0 CGADHM Cc1c(NC(=O)CC2=CCCCC2)cccc1-c1nn[n-]n1 ZINC000822068784 607269534 /nfs/dbraw/zinc/26/95/34/607269534.db2.gz USHDOJCNCHIAQL-UHFFFAOYSA-N -1 3 297.362 3.004 20 0 CGADHM CC[C@](NCc1ccccc1F)(C(=O)[O-])c1ccccc1 ZINC000041762575 600303586 /nfs/dbraw/zinc/30/35/86/600303586.db2.gz RQCGGVUMFOXEIL-QGZVFWFLSA-N -1 3 287.334 3.305 20 0 CGADHM C[C@H](NCCCCC(=O)[O-])c1ncc(-c2ccccc2)o1 ZINC000827734049 600744157 /nfs/dbraw/zinc/74/41/57/600744157.db2.gz BDYLKPAIXADMMN-LBPRGKRZSA-N -1 3 288.347 3.247 20 0 CGADHM CCc1ccc([C@H]2CCCN2C/C=C(/C)C(=O)[O-])o1 ZINC000830239129 601169159 /nfs/dbraw/zinc/16/91/59/601169159.db2.gz WMRMRMPMVVQKIG-BIRHUZIMSA-N -1 3 263.337 3.010 20 0 CGADHM C/C(=C\CN1CCCC[C@@H]1c1ccc(F)cc1)C(=O)[O-] ZINC000825740877 601451790 /nfs/dbraw/zinc/45/17/90/601451790.db2.gz CPZWENZNBHJGES-SAAWKEMMSA-N -1 3 277.339 3.384 20 0 CGADHM CC[C@@H](C)CN1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC000828746946 601823033 /nfs/dbraw/zinc/82/30/33/601823033.db2.gz KAFZMUSDWYUGHP-LLVKDONJSA-N -1 3 286.375 3.270 20 0 CGADHM CC[C@@](C)(CC(=O)[O-])NCc1coc(-c2cccs2)n1 ZINC000828665135 602216723 /nfs/dbraw/zinc/21/67/23/602216723.db2.gz OQXQXYDOSWVZNJ-AWEZNQCLSA-N -1 3 294.376 3.136 20 0 CGADHM Cc1[n-]n(-c2ccnc3ccccc32)c(=O)c1C(C)C ZINC000899350887 620655295 /nfs/dbraw/zinc/65/52/95/620655295.db2.gz SLHBGSFDEVSSAG-OAHLLOKOSA-N -1 3 267.332 3.230 20 0 CGADHM C[C@H](NC(=O)[O-])[C@H]1CCCN(c2ccnc3ccccc32)C1 ZINC000825281144 604057907 /nfs/dbraw/zinc/05/79/07/604057907.db2.gz QSKHFUFWUFZSJI-STQMWFEESA-N -1 3 299.374 3.107 20 0 CGADHM O=C([O-])CCCN(C/C=C\Cl)Cc1ccccc1 ZINC000833225735 604787119 /nfs/dbraw/zinc/78/71/19/604787119.db2.gz MBZYOWFRGKOCCF-UITAMQMPSA-N -1 3 267.756 3.106 20 0 CGADHM CCC(CC)(CN[C@H](C)c1cccnc1Cl)NC(=O)[O-] ZINC000826560959 605078022 /nfs/dbraw/zinc/07/80/22/605078022.db2.gz DTYOTRYBDKXLEV-SNVBAGLBSA-N -1 3 299.802 3.212 20 0 CGADHM CN(Cc1ccc(C(=O)[O-])[nH]1)Cc1cccc2ccccc21 ZINC000833696799 605105769 /nfs/dbraw/zinc/10/57/69/605105769.db2.gz ULHOSGYYUVJVMU-UHFFFAOYSA-N -1 3 294.354 3.498 20 0 CGADHM CC1(c2ccccc2)CCN(Cc2ccc(C(=O)[O-])[nH]2)CC1 ZINC000833577175 605106701 /nfs/dbraw/zinc/10/67/01/605106701.db2.gz HLTDDNMCAUQKOM-UHFFFAOYSA-N -1 3 298.386 3.267 20 0 CGADHM C/C(=C/CN[C@@H](C)c1ccc(F)cc1Cl)C(=O)[O-] ZINC000833383146 605141140 /nfs/dbraw/zinc/14/11/40/605141140.db2.gz KNCZSQCIXDJVBA-RDOCRHDPSA-N -1 3 271.719 3.161 20 0 CGADHM CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2ccc(Cl)o2)C1 ZINC000833420517 605548789 /nfs/dbraw/zinc/54/87/89/605548789.db2.gz SZEVKPRCWUXJFL-JTQLQIEISA-N -1 3 285.771 3.256 20 0 CGADHM O=C([O-])N[C@@H]1C[C@H](NCc2cccs2)c2ccccc21 ZINC000834157469 605788908 /nfs/dbraw/zinc/78/89/08/605788908.db2.gz HUZKZYKMWMKPCN-UONOGXRCSA-N -1 3 288.372 3.291 20 0 CGADHM C[C@@H]1CCC[C@@H](C)N1Cc1cc(C(=O)[O-])ccc1F ZINC000231027902 605834660 /nfs/dbraw/zinc/83/46/60/605834660.db2.gz VQCPPNXIARATOZ-GHMZBOCLSA-N -1 3 265.328 3.287 20 0 CGADHM CCC[C@@H](Nc1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC000821022727 606212817 /nfs/dbraw/zinc/21/28/17/606212817.db2.gz UCDXXBGVFGWFEX-CQSZACIVSA-N -1 3 294.362 3.215 20 0 CGADHM CCC[C@@H](Nc1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC000821022727 606212818 /nfs/dbraw/zinc/21/28/18/606212818.db2.gz UCDXXBGVFGWFEX-CQSZACIVSA-N -1 3 294.362 3.215 20 0 CGADHM CCC[C@H](C)Sc1ccc(-c2nnn[n-]2)cc1F ZINC000821016616 606329179 /nfs/dbraw/zinc/32/91/79/606329179.db2.gz XXQLKDVYSXDXKI-QMMMGPOBSA-N -1 3 266.345 3.287 20 0 CGADHM CCC[C@H](C)Sc1ccc(-c2nn[n-]n2)cc1F ZINC000821016616 606329181 /nfs/dbraw/zinc/32/91/81/606329181.db2.gz XXQLKDVYSXDXKI-QMMMGPOBSA-N -1 3 266.345 3.287 20 0 CGADHM Cc1cccc(C)c1NCc1ccc(-c2nnn[n-]2)cc1 ZINC000095213941 606661031 /nfs/dbraw/zinc/66/10/31/606661031.db2.gz ALXFQKLYKGCGKT-UHFFFAOYSA-N -1 3 279.347 3.096 20 0 CGADHM Cc1cccc(C)c1NCc1ccc(-c2nn[n-]n2)cc1 ZINC000095213941 606661032 /nfs/dbraw/zinc/66/10/32/606661032.db2.gz ALXFQKLYKGCGKT-UHFFFAOYSA-N -1 3 279.347 3.096 20 0 CGADHM CC[C@@H](C)CSCCOc1ccccc1-c1nnn[n-]1 ZINC000820868879 606795720 /nfs/dbraw/zinc/79/57/20/606795720.db2.gz BWKUEGZLGUGSHO-LLVKDONJSA-N -1 3 292.408 3.025 20 0 CGADHM CC[C@@H](C)CSCCOc1ccccc1-c1nn[n-]n1 ZINC000820868879 606795721 /nfs/dbraw/zinc/79/57/21/606795721.db2.gz BWKUEGZLGUGSHO-LLVKDONJSA-N -1 3 292.408 3.025 20 0 CGADHM CCCC[C@H](Nc1ncccc1-c1nnn[n-]1)C1CCC1 ZINC000821043437 606804480 /nfs/dbraw/zinc/80/44/80/606804480.db2.gz PNCAZPQDXVMXPS-ZDUSSCGKSA-N -1 3 286.383 3.033 20 0 CGADHM CCCC[C@H](Nc1ncccc1-c1nn[n-]n1)C1CCC1 ZINC000821043437 606804483 /nfs/dbraw/zinc/80/44/83/606804483.db2.gz PNCAZPQDXVMXPS-ZDUSSCGKSA-N -1 3 286.383 3.033 20 0 CGADHM FC(F)(F)c1ccc(-c2nnn[n-]2)cc1NCC1CCC1 ZINC000822724062 607227503 /nfs/dbraw/zinc/22/75/03/607227503.db2.gz XSHLDIIEMRWSJT-UHFFFAOYSA-N -1 3 297.284 3.098 20 0 CGADHM FC(F)(F)c1ccc(-c2nn[n-]n2)cc1NCC1CCC1 ZINC000822724062 607227504 /nfs/dbraw/zinc/22/75/04/607227504.db2.gz XSHLDIIEMRWSJT-UHFFFAOYSA-N -1 3 297.284 3.098 20 0 CGADHM CCC(CC)SCc1ccc(-c2nnn[n-]2)cc1OC ZINC000825108591 608264004 /nfs/dbraw/zinc/26/40/04/608264004.db2.gz XLLSOHQYSPPWFY-UHFFFAOYSA-N -1 3 292.408 3.297 20 0 CGADHM CCC(CC)SCc1ccc(-c2nn[n-]n2)cc1OC ZINC000825108591 608264006 /nfs/dbraw/zinc/26/40/06/608264006.db2.gz XLLSOHQYSPPWFY-UHFFFAOYSA-N -1 3 292.408 3.297 20 0 CGADHM Cc1ccccc1[C@H](C)Nc1nc(-c2nnn[n-]2)ccc1C ZINC000826306254 608543873 /nfs/dbraw/zinc/54/38/73/608543873.db2.gz UNUSJHZIZLBMNC-LBPRGKRZSA-N -1 3 294.362 3.052 20 0 CGADHM C[C@@H](Nc1ccc(F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824656924 609161025 /nfs/dbraw/zinc/16/10/25/609161025.db2.gz OBNBPBHYXTXTKH-SNVBAGLBSA-N -1 3 283.310 3.179 20 0 CGADHM C[C@@H](Nc1ccc(F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824656924 609161028 /nfs/dbraw/zinc/16/10/28/609161028.db2.gz OBNBPBHYXTXTKH-SNVBAGLBSA-N -1 3 283.310 3.179 20 0 CGADHM Cc1cccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC000826299427 609161223 /nfs/dbraw/zinc/16/12/23/609161223.db2.gz DVVBTPBUYNKGOV-NSHDSACASA-N -1 3 297.337 3.487 20 0 CGADHM Cc1cccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC000826299427 609161224 /nfs/dbraw/zinc/16/12/24/609161224.db2.gz DVVBTPBUYNKGOV-NSHDSACASA-N -1 3 297.337 3.487 20 0 CGADHM Cc1cc(F)cc(N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000826268325 609273825 /nfs/dbraw/zinc/27/38/25/609273825.db2.gz SNYOVGSXUVKCPD-LLVKDONJSA-N -1 3 297.337 3.487 20 0 CGADHM Cc1cc(F)cc(N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000826268325 609273826 /nfs/dbraw/zinc/27/38/26/609273826.db2.gz SNYOVGSXUVKCPD-LLVKDONJSA-N -1 3 297.337 3.487 20 0 CGADHM Fc1cccc(CCCOc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826376725 609413580 /nfs/dbraw/zinc/41/35/80/609413580.db2.gz PCPBYIUUSNYYMH-UHFFFAOYSA-N -1 3 298.321 3.017 20 0 CGADHM [O-]c1ccc(CN2CCC[C@H](C(F)(F)F)C2)cc1F ZINC000236581201 618097642 /nfs/dbraw/zinc/09/76/42/618097642.db2.gz HIILCMIDCIIFBP-JTQLQIEISA-N -1 3 277.261 3.306 20 0 CGADHM CC1(C)CCC[C@H](CC(=O)[N-]OCc2cccnc2)C1 ZINC000161040450 618236872 /nfs/dbraw/zinc/23/68/72/618236872.db2.gz LRTJBTFOPYOVSW-CYBMUJFWSA-N -1 3 276.380 3.236 20 0 CGADHM CC(C)(CCC(=O)[N-]OCc1cccnc1)c1ccccc1 ZINC000161068862 618247597 /nfs/dbraw/zinc/24/75/97/618247597.db2.gz ZVFGUEBELKLLMV-UHFFFAOYSA-N -1 3 298.386 3.387 20 0 CGADHM CC(C)(C[N-]C(=O)C(F)(F)F)C1CCCCC1 ZINC000258775445 618431438 /nfs/dbraw/zinc/43/14/38/618431438.db2.gz MRZUGRBIJVDJLH-UHFFFAOYSA-N -1 3 251.292 3.271 20 0 CGADHM [O-]c1ccc(CN2CC=C(C(F)(F)F)CC2)cc1F ZINC000892105870 618533899 /nfs/dbraw/zinc/53/38/99/618533899.db2.gz PWMNVLDEGNVZLT-UHFFFAOYSA-N -1 3 275.245 3.226 20 0 CGADHM COc1cccc([C@H](C)NCc2ccc(C(=O)[O-])s2)c1 ZINC000235015673 618541229 /nfs/dbraw/zinc/54/12/29/618541229.db2.gz AHCURZULNVWHCH-JTQLQIEISA-N -1 3 291.372 3.306 20 0 CGADHM C/C=C(/C)C(=O)Nc1cc(Br)ccc1[O-] ZINC000255476620 618564778 /nfs/dbraw/zinc/56/47/78/618564778.db2.gz GFLICUMMYNVYFY-CLTKARDFSA-N -1 3 270.126 3.059 20 0 CGADHM C/C(=C/C(=O)[N-]O[C@@H]1CCCCO1)c1cccc(Cl)c1 ZINC000255685836 618777455 /nfs/dbraw/zinc/77/74/55/618777455.db2.gz YFOHAYFANYRLSL-ZHUYAKLQSA-N -1 3 295.766 3.318 20 0 CGADHM Cc1ccc(NC=C2C(=O)[N-]C(=O)c3ccccc32)c(C)c1 ZINC000255742739 618783908 /nfs/dbraw/zinc/78/39/08/618783908.db2.gz ZKRJBKNJTLNMAJ-GDNBJRDFSA-N -1 3 292.338 3.026 20 0 CGADHM Cc1oc(C(=O)[O-])cc1CN[C@H]1CCCc2ccccc21 ZINC000235832301 618828440 /nfs/dbraw/zinc/82/84/40/618828440.db2.gz PSYIHBPBBRWNLA-HNNXBMFYSA-N -1 3 285.343 3.453 20 0 CGADHM CO[N-]C(=O)CC(Cc1ccccc1)Cc1ccccc1 ZINC000177584463 618831055 /nfs/dbraw/zinc/83/10/55/618831055.db2.gz UZIJVKXSRNXTJL-UHFFFAOYSA-N -1 3 283.371 3.156 20 0 CGADHM Cc1[n-]n(CCCc2ccccc2)c(=O)c1C(C)C ZINC000109351640 618905458 /nfs/dbraw/zinc/90/54/58/618905458.db2.gz IYRHELFHFPGIIQ-OAHLLOKOSA-N -1 3 258.365 3.110 20 0 CGADHM COCC1CC(OC(=O)c2cc3cc(Cl)sc3[n-]2)C1 ZINC000893642507 619264083 /nfs/dbraw/zinc/26/40/83/619264083.db2.gz CBMCCIXJBLBSJF-UHFFFAOYSA-N -1 3 299.779 3.465 20 0 CGADHM C[C@H]1CCN(C(=O)c2ccc(O)cc2[O-])[C@@H]1c1ccccc1 ZINC000894302717 619476809 /nfs/dbraw/zinc/47/68/09/619476809.db2.gz ZFSSRWZGEQXWKD-SJCJKPOMSA-N -1 3 297.354 3.321 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2nn(C(C)C)cc2Cl)c1 ZINC000894888403 619669190 /nfs/dbraw/zinc/66/91/90/619669190.db2.gz NESJAOJPIZICRF-UHFFFAOYSA-N -1 3 293.754 3.384 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)CCC(=O)c1ccc(C)cc1 ZINC000794862879 619777911 /nfs/dbraw/zinc/77/79/11/619777911.db2.gz HBKLRFSLQMFLJC-LBPRGKRZSA-N -1 3 277.364 3.052 20 0 CGADHM O=C(C[C@@H]1CCC2(CCC2)O1)Nc1cc(Cl)ccc1[O-] ZINC000895845703 619894495 /nfs/dbraw/zinc/89/44/95/619894495.db2.gz IBCMDEXCHZFKRX-NSHDSACASA-N -1 3 295.766 3.476 20 0 CGADHM CCCOc1ccc(CNCc2cccc(C(=O)[O-])c2)cc1 ZINC000262699664 620254882 /nfs/dbraw/zinc/25/48/82/620254882.db2.gz JNFGSZPBTWTGQL-UHFFFAOYSA-N -1 3 299.370 3.463 20 0 CGADHM C[C@@H]1C[C@H](C(=O)[O-])CN(Cc2ccc(Cl)c(F)c2)C1 ZINC000263101583 620291714 /nfs/dbraw/zinc/29/17/14/620291714.db2.gz BAPWRICVMFTEFB-KOLCDFICSA-N -1 3 285.746 3.022 20 0 CGADHM C[C@@H]1CC[C@@H](C(=O)[O-])CN1Cc1sccc1Cl ZINC000263526054 620323826 /nfs/dbraw/zinc/32/38/26/620323826.db2.gz UDALUPAWNRREKP-RKDXNWHRSA-N -1 3 273.785 3.087 20 0 CGADHM O=C(CCCCc1ccccc1)[N-]OCCC(F)(F)F ZINC000897458239 620339617 /nfs/dbraw/zinc/33/96/17/620339617.db2.gz VKGIJBZLRWMJDA-UHFFFAOYSA-N -1 3 289.297 3.400 20 0 CGADHM CC[C@H](C)CCCCC(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898217190 620488672 /nfs/dbraw/zinc/48/86/72/620488672.db2.gz FRMKPNXVGNROLZ-QWHCGFSZSA-N -1 3 293.411 3.038 20 0 CGADHM CSc1ccc([O-])c(C(=O)N2CCC=C(Cl)C2)c1 ZINC000898201502 620495080 /nfs/dbraw/zinc/49/50/80/620495080.db2.gz HWDVQYNEKVQEIV-UHFFFAOYSA-N -1 3 283.780 3.083 20 0 CGADHM Cc1cccc(CO[N-]C(=O)[C@@]2(C)CC=C(C)CC2)n1 ZINC000898931429 620610355 /nfs/dbraw/zinc/61/03/55/620610355.db2.gz REATVYTTXIGQSM-INIZCTEOSA-N -1 3 274.364 3.074 20 0 CGADHM Cc1cccc2[nH]c(CN3CCC(CC(=O)[O-])CC3)cc21 ZINC000901419334 620882350 /nfs/dbraw/zinc/88/23/50/620882350.db2.gz ZQWPHMUCFZCDNJ-UHFFFAOYSA-N -1 3 286.375 3.163 20 0 CGADHM CC(C)[C@@H]1C[C@H](NCc2ccc(C(=O)[O-])cc2F)CS1 ZINC000901754112 621012850 /nfs/dbraw/zinc/01/28/50/621012850.db2.gz APGBBZGPRYIMOL-JSGCOSHPSA-N -1 3 297.395 3.144 20 0 CGADHM CCc1ccccc1CNCc1ccc(OCC(=O)[O-])cc1 ZINC000902293793 621231477 /nfs/dbraw/zinc/23/14/77/621231477.db2.gz PWDSQQZEZCNSNC-UHFFFAOYSA-N -1 3 299.370 3.002 20 0 CGADHM CC[C@H](C)[C@H](C(=O)[O-])N(CC)Cc1c(F)cccc1F ZINC000903596076 621774513 /nfs/dbraw/zinc/77/45/13/621774513.db2.gz QVXGROHDOOXCKA-IINYFYTJSA-N -1 3 285.334 3.286 20 0 CGADHM C[C@@H](c1ncc(C(C)(C)C)o1)N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC000903629355 621778216 /nfs/dbraw/zinc/77/82/16/621778216.db2.gz BQCHOINXGWCGLT-GRYCIOLGSA-N -1 3 294.395 3.076 20 0 CGADHM O=C([O-])CC1CC(NCc2c(Cl)oc3ccccc32)C1 ZINC000904062897 621862141 /nfs/dbraw/zinc/86/21/41/621862141.db2.gz XFCDLFXYFNLBBE-UHFFFAOYSA-N -1 3 293.750 3.429 20 0 CGADHM CCC(C)(C)C(=O)C(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000907434144 622297516 /nfs/dbraw/zinc/29/75/16/622297516.db2.gz NGILYEDMHUXJSP-LLVKDONJSA-N -1 3 289.375 3.238 20 0 CGADHM O=c1ccnc(C=Cc2cc(F)cc(C(F)(F)F)c2)[n-]1 ZINC000157316964 622898647 /nfs/dbraw/zinc/89/86/47/622898647.db2.gz ZGIIPDUYAGPOIH-OWOJBTEDSA-N -1 3 284.212 3.098 20 0 CGADHM CCc1ccc([C@H](C)[N-]C(=O)C(F)(F)C(F)F)cc1 ZINC000226597899 622982510 /nfs/dbraw/zinc/98/25/10/622982510.db2.gz ZNIXCQYSTMLWTC-QMMMGPOBSA-N -1 3 277.261 3.327 20 0 CGADHM CC(C)c1ccc(C[N-]C(=O)C(F)(F)C(F)F)cc1 ZINC000226603701 622984064 /nfs/dbraw/zinc/98/40/64/622984064.db2.gz WQOVAVAQGFGHFB-UHFFFAOYSA-N -1 3 277.261 3.327 20 0 CGADHM CCCCCC[C@@H](C)NC(=O)c1c([O-])cccc1O ZINC000228855100 623081411 /nfs/dbraw/zinc/08/14/11/623081411.db2.gz TYWAWVOQUVYNFN-LLVKDONJSA-N -1 3 265.353 3.187 20 0 CGADHM Cc1ccc(OCCCC(=O)[N-]OCc2ccccc2)cc1 ZINC000061509092 623150264 /nfs/dbraw/zinc/15/02/64/623150264.db2.gz KBTXRAQGTFOTAA-UHFFFAOYSA-N -1 3 299.370 3.402 20 0 CGADHM COC(=O)c1ccc(C(=O)N(c2ccccc2)C2CCC2)[n-]1 ZINC000913673961 623558955 /nfs/dbraw/zinc/55/89/55/623558955.db2.gz YDVVEPSLSNOYKA-UHFFFAOYSA-N -1 3 298.342 3.001 20 0 CGADHM O=C(Nc1cscc1Cl)c1cnc(C2CC2)[n-]c1=O ZINC000913814426 623591039 /nfs/dbraw/zinc/59/10/39/623591039.db2.gz VVNMWGLHYOHRKC-UHFFFAOYSA-N -1 3 295.751 3.027 20 0 CGADHM CCC[C@H](C)CCNC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000914368438 623717718 /nfs/dbraw/zinc/71/77/18/623717718.db2.gz RPQLXSCXRWWTGC-LBPRGKRZSA-N -1 3 286.375 3.084 20 0 CGADHM O=C([N-]c1ccc(C2CC2)cn1)c1ocnc1C(F)(F)F ZINC000888279165 624000360 /nfs/dbraw/zinc/00/03/60/624000360.db2.gz UJKKZLKCZDCJPD-UHFFFAOYSA-N -1 3 297.236 3.218 20 0 CGADHM Cc1cccc(C(=O)NNc2c(F)cccc2Cl)c1[O-] ZINC000184667192 625260048 /nfs/dbraw/zinc/26/00/48/625260048.db2.gz FJIYICAREFMONN-UHFFFAOYSA-N -1 3 294.713 3.250 20 0 CGADHM C[C@@H]1CN(C(=O)c2ccccc2[O-])Cc2ccccc21 ZINC000922319189 625997011 /nfs/dbraw/zinc/99/70/11/625997011.db2.gz VSTJIPBSJVOXCA-GFCCVEGCSA-N -1 3 267.328 3.152 20 0 CGADHM Cc1occc1CN(C)C[C@@H](C)C(=O)c1ccc([O-])cc1 ZINC000929336128 626086409 /nfs/dbraw/zinc/08/64/09/626086409.db2.gz QMBIYQIJURLAEB-GFCCVEGCSA-N -1 3 287.359 3.244 20 0 CGADHM Cc1nc(CN2CC[C@@](C)(C(=O)[O-])C2)sc1C(C)(C)C ZINC000923243531 626138919 /nfs/dbraw/zinc/13/89/19/626138919.db2.gz DXUIKAZLBCEWKG-OAHLLOKOSA-N -1 3 296.436 3.046 20 0 CGADHM O=c1ccnc(C=Cc2ccc(C(F)(F)F)cc2)[n-]1 ZINC000742221509 626175034 /nfs/dbraw/zinc/17/50/34/626175034.db2.gz MNIDQLQTFICVSW-ZZXKWVIFSA-N -1 3 266.222 3.371 20 0 CGADHM CCO[C@@H](C(=O)Nc1cc(F)ccc1[O-])C1CCCC1 ZINC000867006378 626324425 /nfs/dbraw/zinc/32/44/25/626324425.db2.gz JTFYCELZWBURGY-CQSZACIVSA-N -1 3 281.327 3.065 20 0 CGADHM O=C(Cc1ccc(-c2ccccc2)cc1)[N-]OCC(F)F ZINC000759339009 626888760 /nfs/dbraw/zinc/88/87/60/626888760.db2.gz VUASUBMWBMPRAA-UHFFFAOYSA-N -1 3 291.297 3.209 20 0 CGADHM Cc1noc(C)c1[N-]C(=O)c1cc(Cl)cc(Cl)n1 ZINC000762444758 627110319 /nfs/dbraw/zinc/11/03/19/627110319.db2.gz UBHFNLXOKHTDIA-UHFFFAOYSA-N -1 3 286.118 3.246 20 0 CGADHM CC[C@@H](C(=O)[N-]O[C@H]1CCCCO1)C1CCC(C)CC1 ZINC000764037042 627191908 /nfs/dbraw/zinc/19/19/08/627191908.db2.gz GWWXISDAYSHVBN-CVSAEHQPSA-N -1 3 283.412 3.413 20 0 CGADHM C/C(=C/C(=O)[N-]OCC(F)(F)F)c1ccccc1Cl ZINC000766757007 627358905 /nfs/dbraw/zinc/35/89/05/627358905.db2.gz 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/nfs/dbraw/zinc/79/76/21/628797621.db2.gz UOLHXSCLPNSYJY-OAHLLOKOSA-N -1 3 297.354 3.067 20 0 CGADHM CC(C)c1cnc(COC(=O)c2cc3occc3[n-]2)o1 ZINC000786033148 628908815 /nfs/dbraw/zinc/90/88/15/628908815.db2.gz IHMUEACGZDDOPY-UHFFFAOYSA-N -1 3 274.276 3.229 20 0 CGADHM Cn1c(COC(=O)c2cc3occc3[n-]2)nc2ccccc21 ZINC000786031023 628908902 /nfs/dbraw/zinc/90/89/02/628908902.db2.gz GOBICRCLDVKRHQ-UHFFFAOYSA-N -1 3 295.298 3.005 20 0 CGADHM CN(C)c1cccc(COC(=O)c2cc3occc3[n-]2)c1 ZINC000786030288 628909087 /nfs/dbraw/zinc/90/90/87/628909087.db2.gz WZIIBZCIAVLPSD-UHFFFAOYSA-N -1 3 284.315 3.184 20 0 CGADHM O=C(OCc1ccccn1)c1cc2sccc2c([O-])c1 ZINC000786135344 628915697 /nfs/dbraw/zinc/91/56/97/628915697.db2.gz AGNCQGHNVXYIDB-UHFFFAOYSA-N -1 3 285.324 3.359 20 0 CGADHM CC(C)CN(C)C(=O)c1cc2sccc2c([O-])c1 ZINC000788293566 629045058 /nfs/dbraw/zinc/04/50/58/629045058.db2.gz PRFWLSDKJNTOAP-UHFFFAOYSA-N -1 3 263.362 3.335 20 0 CGADHM Cc1ccc(C2(C[N-]C(=O)C(F)(F)F)CCC2)cc1C ZINC000790081198 629182331 /nfs/dbraw/zinc/18/23/31/629182331.db2.gz IIMXCYAVBKRQBC-UHFFFAOYSA-N -1 3 285.309 3.404 20 0 CGADHM CCc1cc(NC(=O)c2cc([O-])c3ccccc3c2)no1 ZINC000792195501 629348233 /nfs/dbraw/zinc/34/82/33/629348233.db2.gz RACGUUNJBLFGEQ-UHFFFAOYSA-N -1 3 282.299 3.348 20 0 CGADHM O=C(NCC[C@H]1CCCOC1)c1cc([O-])c2ccccc2c1 ZINC000862391591 629359256 /nfs/dbraw/zinc/35/92/56/629359256.db2.gz FKEMCCODURSKTB-CYBMUJFWSA-N -1 3 299.370 3.092 20 0 CGADHM O=C(CNC(=O)c1cc([O-])c2ccccc2c1)C1CCCC1 ZINC000863057556 629465418 /nfs/dbraw/zinc/46/54/18/629465418.db2.gz CLSIMVNTIUMCID-UHFFFAOYSA-N -1 3 297.354 3.035 20 0 CGADHM CC(C)c1ccc(C(=O)N2CCC(F)(F)CC2)c([O-])c1 ZINC000794294885 629530970 /nfs/dbraw/zinc/53/09/70/629530970.db2.gz FSZSWHBHYVAOSD-UHFFFAOYSA-N -1 3 283.318 3.387 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)CCCc1ccc(OC)cc1 ZINC000794841034 629586770 /nfs/dbraw/zinc/58/67/70/629586770.db2.gz BZDYDRZUOOMYDH-CYBMUJFWSA-N -1 3 279.380 3.112 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)CCc1cc(C)cc(C)c1 ZINC000794866633 629591342 /nfs/dbraw/zinc/59/13/42/629591342.db2.gz SNMBYYBLHVGERW-LBPRGKRZSA-N -1 3 263.381 3.330 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)C[C@@H](C)c1cccc(F)c1 ZINC000794870099 629592581 /nfs/dbraw/zinc/59/25/81/629592581.db2.gz KRXGPUXXMPVSCH-NWDGAFQWSA-N -1 3 267.344 3.413 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)CCCc1cc(F)ccc1F ZINC000794870180 629592621 /nfs/dbraw/zinc/59/26/21/629592621.db2.gz MQIYGXDNJZAVEB-LLVKDONJSA-N -1 3 285.334 3.381 20 0 CGADHM CC(C)[C@@H](C(=O)[O-])[C@H](C)NCc1nc(C(C)(C)C)cs1 ZINC000864517732 629851159 /nfs/dbraw/zinc/85/11/59/629851159.db2.gz YJUSMECRXSALQV-GXFFZTMASA-N -1 3 298.452 3.276 20 0 CGADHM O=C([N-]OC1CCCCC1)C1(C2CCC2)CCC1 ZINC000836783614 634801208 /nfs/dbraw/zinc/80/12/08/634801208.db2.gz KKPCCIQIMKKIKO-UHFFFAOYSA-N -1 3 251.370 3.337 20 0 CGADHM CCc1ccc(C(=O)N(CC(C)(C)C)OC)c([O-])c1 ZINC000804586730 630541358 /nfs/dbraw/zinc/54/13/58/630541358.db2.gz OJJHHCXXHGYXLE-UHFFFAOYSA-N -1 3 265.353 3.004 20 0 CGADHM C[C@H](OC(=O)c1cc2cc(Cl)sc2[n-]1)C(=O)C1CC1 ZINC000811397462 631062125 /nfs/dbraw/zinc/06/21/25/631062125.db2.gz ZURNNEQSUUCKBD-LURJTMIESA-N -1 3 297.763 3.407 20 0 CGADHM CC(C)(C)c1ccc(CC(=O)[N-]OC/C=C/Cl)cc1 ZINC000812402211 631245057 /nfs/dbraw/zinc/24/50/57/631245057.db2.gz RNTBRHBAJDYLDF-RUDMXATFSA-N -1 3 281.783 3.327 20 0 CGADHM O=C(CCCCCc1cccs1)[N-]OC1CCC1 ZINC000812790307 631309121 /nfs/dbraw/zinc/30/91/21/631309121.db2.gz YFWVOUCNPCBOIA-UHFFFAOYSA-N -1 3 267.394 3.451 20 0 CGADHM O=C(CCCOc1ccccc1Cl)[N-]OC1CCC1 ZINC000812789708 631309671 /nfs/dbraw/zinc/30/96/71/631309671.db2.gz LWTYUCZVXSZESH-UHFFFAOYSA-N -1 3 283.755 3.099 20 0 CGADHM O=C([N-]OC1CCC1)C1(Cc2ccccc2Cl)CC1 ZINC000812795722 631313085 /nfs/dbraw/zinc/31/30/85/631313085.db2.gz AKDGLBNAUKUXDA-UHFFFAOYSA-N -1 3 279.767 3.263 20 0 CGADHM CC(C)OCCO[N-]C(=O)CC(C)(C)C1CCCCC1 ZINC000812806498 631317042 /nfs/dbraw/zinc/31/70/42/631317042.db2.gz FKFHHCRDTSETKK-UHFFFAOYSA-N -1 3 285.428 3.456 20 0 CGADHM O=C(OCc1nc2ccccc2s1)c1ccc([O-])cc1 ZINC000003275333 634848616 /nfs/dbraw/zinc/84/86/16/634848616.db2.gz JPTVXUJRUCJEAJ-UHFFFAOYSA-N -1 3 285.324 3.359 20 0 CGADHM CC[C@@H](OC(=O)c1c[n-]c(C(=O)OC)c1)c1ccccc1 ZINC000814529525 631601471 /nfs/dbraw/zinc/60/14/71/631601471.db2.gz HOZYBCJOLYLPAE-CQSZACIVSA-N -1 3 287.315 3.109 20 0 CGADHM CN(CCc1ccccc1F)Cc1c(F)ccc([O-])c1F ZINC000816495593 631993933 /nfs/dbraw/zinc/99/39/33/631993933.db2.gz BJRQFNFFXVGARA-UHFFFAOYSA-N -1 3 295.304 3.484 20 0 CGADHM COc1ccccc1CO[N-]C(=O)CC(C)(C)C1CC1 ZINC000816568495 632014180 /nfs/dbraw/zinc/01/41/80/632014180.db2.gz IDLOLSOIQZNFBC-UHFFFAOYSA-N -1 3 277.364 3.069 20 0 CGADHM CCCCCC[C@H](C)NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000816843394 632056940 /nfs/dbraw/zinc/05/69/40/632056940.db2.gz ZRGHUZQPWNIXOW-NSHDSACASA-N -1 3 291.395 3.148 20 0 CGADHM COc1ccc(SCCCC(=O)[N-]OCC2CC2)cc1 ZINC000817329527 632123848 /nfs/dbraw/zinc/12/38/48/632123848.db2.gz BEZRUXGYMGAOFH-UHFFFAOYSA-N -1 3 295.404 3.025 20 0 CGADHM CC(C)[C@H](CC(=O)[N-]OCC1CC1)c1ccccc1 ZINC000817367616 632133137 /nfs/dbraw/zinc/13/31/37/632133137.db2.gz HLAHSMXHGAUGOX-HNNXBMFYSA-N -1 3 261.365 3.274 20 0 CGADHM CCOc1c(Cl)cccc1CC(=O)[N-]OCCC1CC1 ZINC000817388542 632136202 /nfs/dbraw/zinc/13/62/02/632136202.db2.gz YOUFTFUXQIMGHW-UHFFFAOYSA-N -1 3 297.782 3.129 20 0 CGADHM O=C([N-]OCCC1CC1)C1(Cc2cccc(F)c2)CCC1 ZINC000817408106 632139440 /nfs/dbraw/zinc/13/94/40/632139440.db2.gz LOQNLKCHGWJGFE-UHFFFAOYSA-N -1 3 291.366 3.386 20 0 CGADHM O=C(CCCc1ccc(F)c(F)c1)[N-]OCCC1CC1 ZINC000817416860 632146427 /nfs/dbraw/zinc/14/64/27/632146427.db2.gz YIZOADUBGXJBGM-UHFFFAOYSA-N -1 3 283.318 3.135 20 0 CGADHM Cc1cccc(Cl)c1CC(=O)[N-]OCCC1CC1 ZINC000817437495 632156898 /nfs/dbraw/zinc/15/68/98/632156898.db2.gz MUVIZOOGCSHFGW-UHFFFAOYSA-N -1 3 267.756 3.039 20 0 CGADHM CC[C@H](CC(=O)[N-]OCCC1CC1)c1ccc(OC)cc1 ZINC000817441927 632158989 /nfs/dbraw/zinc/15/89/89/632158989.db2.gz QFRIFKFUNUGOHP-CQSZACIVSA-N -1 3 291.391 3.427 20 0 CGADHM CC[C@@H](NC(=O)c1ccc(N)cc1[O-])C1CCCCC1 ZINC000817931086 632235909 /nfs/dbraw/zinc/23/59/09/632235909.db2.gz IRTMACDRIHHAJJ-CQSZACIVSA-N -1 3 276.380 3.063 20 0 CGADHM CCCO[N-]C(=O)C1(Cc2cccc(Cl)c2)CC1 ZINC000844090518 635819880 /nfs/dbraw/zinc/81/98/80/635819880.db2.gz VMWHBRHSIRHANL-UHFFFAOYSA-N -1 3 267.756 3.121 20 0 CGADHM O=C([N-]OCC1CC1)[C@H]1C2CCC(CC2)[C@@H]1C(F)(F)F ZINC000819540152 632483034 /nfs/dbraw/zinc/48/30/34/632483034.db2.gz IWPBKZACPTUFFS-QQFIATSDSA-N -1 3 291.313 3.059 20 0 CGADHM O=C(Nc1[nH][n-]c2cc(=O)ccc1-2)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC000820175853 632582308 /nfs/dbraw/zinc/58/23/08/632582308.db2.gz QIRHSNVZVAFNKO-JGPRNRPPSA-N -1 3 285.347 3.033 20 0 CGADHM O=C([N-]O[C@@H]1CCCCO1)[C@H]1CCC[C@H]1c1ccccc1 ZINC000822923500 633039279 /nfs/dbraw/zinc/03/92/79/633039279.db2.gz BLXVZCBSBLAXST-HRCADAONSA-N -1 3 289.375 3.145 20 0 CGADHM Cc1cc(C)cc(NC=C2C(=O)[N-]C(=O)c3ccccc32)c1 ZINC000016719316 633261762 /nfs/dbraw/zinc/26/17/62/633261762.db2.gz KCPADRPFLPKYJD-MHWRWJLKSA-N -1 3 292.338 3.026 20 0 CGADHM C[C@@]1(CNCc2c(F)ccc([O-])c2F)CC1(Cl)Cl ZINC000824773021 633286942 /nfs/dbraw/zinc/28/69/42/633286942.db2.gz IVRKSLJTFHXKHK-NSHDSACASA-N -1 3 296.144 3.344 20 0 CGADHM CC(=O)c1cccc(NC(=O)[C@]23C[C@H]2CCCC3)c1[O-] ZINC000868346405 633317271 /nfs/dbraw/zinc/31/72/71/633317271.db2.gz CYXQAPALADSNHP-BDJLRTHQSA-N -1 3 273.332 3.114 20 0 CGADHM CCC(F)(F)C(=O)[N-][C@@H](c1nccs1)c1ccccc1 ZINC000826123139 633407995 /nfs/dbraw/zinc/40/79/95/633407995.db2.gz HNZKBVZKJMKERK-LLVKDONJSA-N -1 3 296.342 3.394 20 0 CGADHM Clc1cccc(SCC2CCC2)c1-c1nnn[n-]1 ZINC000826353116 633409344 /nfs/dbraw/zinc/40/93/44/633409344.db2.gz BQEXIJDSDHOUMS-UHFFFAOYSA-N -1 3 280.784 3.412 20 0 CGADHM Clc1cccc(SCC2CCC2)c1-c1nn[n-]n1 ZINC000826353116 633409349 /nfs/dbraw/zinc/40/93/49/633409349.db2.gz BQEXIJDSDHOUMS-UHFFFAOYSA-N -1 3 280.784 3.412 20 0 CGADHM CCCCC(=O)COC(=O)c1cc2ccsc2[n-]1 ZINC000869322251 633431245 /nfs/dbraw/zinc/43/12/45/633431245.db2.gz BNWKAOLQJAORLF-UHFFFAOYSA-N -1 3 265.334 3.146 20 0 CGADHM CC(C)(NC(=O)c1cc([O-])ccc1Cl)[C@@H]1CCCCO1 ZINC000871169533 633716716 /nfs/dbraw/zinc/71/67/16/633716716.db2.gz NVTPTYBRMBGVKJ-ZDUSSCGKSA-N -1 3 297.782 3.123 20 0 CGADHM O=C(CCc1ccccc1F)[N-]OCCCC(F)(F)F ZINC000871210380 633727392 /nfs/dbraw/zinc/72/73/92/633727392.db2.gz GUGDVGRLKFNCNM-UHFFFAOYSA-N -1 3 293.260 3.149 20 0 CGADHM Cc1ccccc1CCC(=O)[N-]OCCCC(F)(F)F ZINC000871211140 633727928 /nfs/dbraw/zinc/72/79/28/633727928.db2.gz LGMXLMBBSHWIBY-UHFFFAOYSA-N -1 3 289.297 3.318 20 0 CGADHM C[C@@H]1CCC[C@@]1(C)C(=O)[N-]OCCCC(F)(F)F ZINC000871215773 633730948 /nfs/dbraw/zinc/73/09/48/633730948.db2.gz GITRXUDAPRYPBV-MWLCHTKSSA-N -1 3 267.291 3.203 20 0 CGADHM CSc1ccc([O-])c(C(=O)N2C[C@@H](C)CC2(C)C)c1 ZINC000829514264 633746282 /nfs/dbraw/zinc/74/62/82/633746282.db2.gz TZAUBKZDUTUCCX-JTQLQIEISA-N -1 3 279.405 3.375 20 0 CGADHM Cc1nnc([C@H](C)N[C@@H](C)c2cccc([O-])c2F)s1 ZINC000872062832 633985275 /nfs/dbraw/zinc/98/52/75/633985275.db2.gz QRYVHFITOSALGD-YUMQZZPRSA-N -1 3 281.356 3.103 20 0 CGADHM Cc1cccc([O-])c1C(=O)N[C@H]1CCSC2(CCC2)C1 ZINC000834715690 634227274 /nfs/dbraw/zinc/22/72/74/634227274.db2.gz BSFIAXTUZWIFDR-LBPRGKRZSA-N -1 3 291.416 3.249 20 0 CGADHM CC1(CC(=O)OCc2cc(=O)[n-]c(C3CC3)n2)CCCC1 ZINC000837733470 634975567 /nfs/dbraw/zinc/97/55/67/634975567.db2.gz CRTOULRMXDRUSN-UHFFFAOYSA-N -1 3 290.363 3.073 20 0 CGADHM C/C(=C/C(=O)Nc1cc(Br)ccc1[O-])C1CC1 ZINC000126687131 635181174 /nfs/dbraw/zinc/18/11/74/635181174.db2.gz GTGIVVNUFSONGL-VURMDHGXSA-N -1 3 296.164 3.450 20 0 CGADHM CC1(C)CCCN(Cc2nnc(-c3ccccc3[O-])o2)C1 ZINC000878101272 635356526 /nfs/dbraw/zinc/35/65/26/635356526.db2.gz QSMJKALVKZBRHW-UHFFFAOYSA-N -1 3 287.363 3.064 20 0 CGADHM CC(=O)c1cccc(NC(=O)C2(F)CCCCC2)c1[O-] ZINC000843888377 635791591 /nfs/dbraw/zinc/79/15/91/635791591.db2.gz FYVXQQFBSDZVGQ-UHFFFAOYSA-N -1 3 279.311 3.206 20 0 CGADHM O=C(NC[C@H]1C=CCC1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000881498785 636119988 /nfs/dbraw/zinc/11/99/88/636119988.db2.gz NIXNXVPAXQHTNU-VIFPVBQESA-N -1 3 285.265 3.107 20 0 CGADHM CC(=O)c1ccc(C(=O)NCC(C)(C)CC(F)F)cc1[O-] ZINC000881536691 636136098 /nfs/dbraw/zinc/13/60/98/636136098.db2.gz JFSPNRSNFMOATM-UHFFFAOYSA-N -1 3 299.317 3.006 20 0 CGADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCC[C@H](CF)C1 ZINC000881600364 636160608 /nfs/dbraw/zinc/16/06/08/636160608.db2.gz IXOXIAUYWQEIEK-CYBMUJFWSA-N -1 3 297.345 3.062 20 0 CGADHM C[C@H](NCc1ncc(-c2ccccc2)s1)[C@H](C)C(=O)[O-] ZINC000846229294 636164282 /nfs/dbraw/zinc/16/42/82/636164282.db2.gz SKMRHIHXGUWFNZ-QWRGUYRKSA-N -1 3 290.388 3.009 20 0 CGADHM CSCCCSCc1nnc(-c2ccccc2[O-])o1 ZINC000882175785 636278084 /nfs/dbraw/zinc/27/80/84/636278084.db2.gz ZRRKXQAOCBJEQG-UHFFFAOYSA-N -1 3 296.417 3.429 20 0 CGADHM CC(C)([N-]C(=O)C(F)(F)c1ccccc1)C(C)(F)F ZINC000847119629 636344282 /nfs/dbraw/zinc/34/42/82/636344282.db2.gz RKSCEOBBIJNFIA-UHFFFAOYSA-N -1 3 277.261 3.328 20 0 CGADHM Cc1ccc(-c2ncc(C=Cc3nccc(=O)[n-]3)s2)cc1 ZINC000131732749 636744573 /nfs/dbraw/zinc/74/45/73/636744573.db2.gz RIKDJTYJQUEFKO-VOTSOKGWSA-N -1 3 295.367 3.372 20 0 CGADHM COc1cncc(C=Cc2cc(=O)[n-]c(C(C)(C)C)n2)c1 ZINC000849248657 636781001 /nfs/dbraw/zinc/78/10/01/636781001.db2.gz XBBVNFRWBPOAHZ-WAYWQWQTSA-N -1 3 285.347 3.054 20 0 CGADHM Cc1ccccc1CCCOC(=O)c1cccc2nn[n-]c21 ZINC000800208600 636957054 /nfs/dbraw/zinc/95/70/54/636957054.db2.gz PLXKATIWMSISQP-UHFFFAOYSA-N -1 3 295.342 3.056 20 0 CGADHM Cc1ccccc1CCCOC(=O)c1cccc2[n-]nnc21 ZINC000800208600 636957057 /nfs/dbraw/zinc/95/70/57/636957057.db2.gz PLXKATIWMSISQP-UHFFFAOYSA-N -1 3 295.342 3.056 20 0 CGADHM Cc1ccccc1CCCOC(=O)c1cccc2n[n-]nc21 ZINC000800208600 636957060 /nfs/dbraw/zinc/95/70/60/636957060.db2.gz PLXKATIWMSISQP-UHFFFAOYSA-N -1 3 295.342 3.056 20 0 CGADHM Cc1ccc(C)c(OCCC(=O)[N-]OC2CCCC2)c1 ZINC000135136818 637090579 /nfs/dbraw/zinc/09/05/79/637090579.db2.gz YNXBQLZYSARCNL-UHFFFAOYSA-N -1 3 277.364 3.063 20 0 CGADHM O=C([N-][C@H](c1cccs1)c1ccc(F)cc1)C(F)F ZINC000219710329 637544008 /nfs/dbraw/zinc/54/40/08/637544008.db2.gz WHNZUBKOJKAGMX-NSHDSACASA-N -1 3 285.290 3.358 20 0 CGADHM C[C@@H](NCc1cc(C2CC2)no1)c1cccc([O-])c1F ZINC000886685779 637650450 /nfs/dbraw/zinc/65/04/50/637650450.db2.gz BTYIJIUTWNRIRO-SECBINFHSA-N -1 3 276.311 3.248 20 0 CGADHM C[C@H]1N(C(=O)c2ccc(N)cc2[O-])c2ccccc2C1(C)C ZINC000852909791 637722828 /nfs/dbraw/zinc/72/28/28/637722828.db2.gz AESPROVDQIKGHF-LLVKDONJSA-N -1 3 296.370 3.301 20 0 CGADHM O=C([O-])C1=CC[C@@H](NCc2cc(Cl)sc2Cl)C1 ZINC000853039472 637742790 /nfs/dbraw/zinc/74/27/90/637742790.db2.gz ODDYKBMZXRYWHK-MRVPVSSYSA-N -1 3 292.187 3.318 20 0 CGADHM CCc1c(=O)n([C@H]2CCCSC2)[n-]c1-c1ccccc1 ZINC000887299413 637793384 /nfs/dbraw/zinc/79/33/84/637793384.db2.gz YXOQIJRKBYMHEP-UONOGXRCSA-N -1 3 288.416 3.155 20 0 CGADHM Cn1ccc(-c2nc(=O)c3cc(C(C)(C)C)sc3[n-]2)n1 ZINC000887317769 637795710 /nfs/dbraw/zinc/79/57/10/637795710.db2.gz RCTSTSIAWCMWSJ-UHFFFAOYSA-N -1 3 288.376 3.095 20 0 CGADHM COC(=O)C[C@H](C)c1ccc(-c2ccc(=O)[n-]c2F)cc1 ZINC000854190081 638013283 /nfs/dbraw/zinc/01/32/83/638013283.db2.gz VTIJCLXELPJSTA-JTQLQIEISA-N -1 3 289.306 3.260 20 0 CGADHM C[C@@]1(CNC(=O)c2cc3sccc3c([O-])c2)CC1(F)F ZINC000855799046 638252098 /nfs/dbraw/zinc/25/20/98/638252098.db2.gz RENCPQMJSQGXLQ-ZDUSSCGKSA-N -1 3 297.326 3.382 20 0 CGADHM CCc1cnc(CN[C@@H](C)c2cc([O-])cc(F)c2)s1 ZINC000925166007 638467011 /nfs/dbraw/zinc/46/70/11/638467011.db2.gz XWYJPFHUXWAKOE-VIFPVBQESA-N -1 3 280.368 3.401 20 0 CGADHM CC[C@H](C)CONC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000857266287 638486133 /nfs/dbraw/zinc/48/61/33/638486133.db2.gz QZEMBFYITIIGDU-QMMMGPOBSA-N -1 3 291.269 3.119 20 0 CGADHM O=C(NC12CCC(CC1)C2)c1cc([O-])cc(C(F)(F)F)c1 ZINC000857715174 638558462 /nfs/dbraw/zinc/55/84/62/638558462.db2.gz BEZBOVTXPSSLCX-UHFFFAOYSA-N -1 3 299.292 3.474 20 0 CGADHM C[C@H](N[C@@H]1CCCC1(F)F)c1cc([O-])cc(F)c1 ZINC000926428247 638770470 /nfs/dbraw/zinc/77/04/70/638770470.db2.gz IPRIDRIRKUNSGY-QPUJVOFHSA-N -1 3 259.271 3.370 20 0 CGADHM COc1cnc([C@@H]2CCCN2CCCC(C)(C)C)[n-]c1=O ZINC000934275090 639570303 /nfs/dbraw/zinc/57/03/03/639570303.db2.gz ZEWOJLYQVQTJOJ-LBPRGKRZSA-N -1 3 293.411 3.154 20 0 CGADHM O=C(CCc1ccc(Cl)c(F)c1)[N-]OC/C=C\Cl ZINC000861783221 639614130 /nfs/dbraw/zinc/61/41/30/639614130.db2.gz UGDDLKMFWAOVDY-BHQIHCQQSA-N -1 3 292.137 3.212 20 0 CGADHM O=C(Cc1coc2cc(Cl)ccc12)[N-]OCCC1CC1 ZINC000861823212 639617029 /nfs/dbraw/zinc/61/70/29/639617029.db2.gz GDEKIWYXHHNUCP-UHFFFAOYSA-N -1 3 293.750 3.477 20 0 CGADHM CC(C)[C@H]1C[C@@H](C(=O)Nc2ccc(Cl)cc2[O-])CCO1 ZINC000935101166 639747425 /nfs/dbraw/zinc/74/74/25/639747425.db2.gz VTOZASFTTCZOKC-IINYFYTJSA-N -1 3 297.782 3.435 20 0 CGADHM CC(=O)c1cccc(NC(=O)CCC2(C)CC2)c1[O-] ZINC000935984143 639876693 /nfs/dbraw/zinc/87/66/93/639876693.db2.gz DFMMXUSLDMKXPR-UHFFFAOYSA-N -1 3 261.321 3.114 20 0 CGADHM Cc1cc(C(=O)/C=C/c2cccc3c2OCO3)ccc1[O-] ZINC000077166016 640226887 /nfs/dbraw/zinc/22/68/87/640226887.db2.gz ZZAUHMAOZKMZIZ-VMPITWQZSA-N -1 3 282.295 3.325 20 0 CGADHM CCOC1CC(CC(=O)Nc2cc(Cl)ccc2[O-])C1 ZINC000190810035 640269167 /nfs/dbraw/zinc/26/91/67/640269167.db2.gz IEMHHQLJYNSXEZ-UHFFFAOYSA-N -1 3 283.755 3.189 20 0 CGADHM Cc1noc(C)c1CNCc1c([O-])ccc(Cl)c1F ZINC000190871459 640274818 /nfs/dbraw/zinc/27/48/18/640274818.db2.gz FQRUWDWPEKEGKD-UHFFFAOYSA-N -1 3 284.718 3.079 20 0 CGADHM CCCCc1ccc(C(=O)CCC(=O)[N-]OCC)cc1 ZINC000079718677 640424287 /nfs/dbraw/zinc/42/42/87/640424287.db2.gz HURFQXCUZBKRET-UHFFFAOYSA-N -1 3 277.364 3.060 20 0 CGADHM CC(C)CC1(C[N-]C(=O)C(F)(F)F)CCCC1 ZINC000094820097 640803624 /nfs/dbraw/zinc/80/36/24/640803624.db2.gz POTSUSBEQXWRCN-UHFFFAOYSA-N -1 3 251.292 3.271 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2cccc3c2OC(C)(C)C3)n1 ZINC001156113853 805655604 /nfs/dbraw/zinc/65/56/04/805655604.db2.gz AIBFAHFTQIPOSF-UHFFFAOYSA-N -1 3 298.342 3.061 20 0 CGADHM [O-]C(=Cc1nc(-c2cccnc2)no1)c1ccccc1Cl ZINC001211647485 814925192 /nfs/dbraw/zinc/92/51/92/814925192.db2.gz ROQCJSLLKGKICI-UHFFFAOYSA-N -1 3 299.717 3.210 20 0 CGADHM Cn1c(-c2ccc([O-])cc2F)nc2ccc(F)c(F)c21 ZINC001250846185 805787992 /nfs/dbraw/zinc/78/79/92/805787992.db2.gz RXHVCDZBILPFKM-UHFFFAOYSA-N -1 3 278.233 3.363 20 0 CGADHM Cc1ncc(CO)c(-c2nc3cc(C(C)C)ccc3[nH]2)c1[O-] ZINC001250913670 805797347 /nfs/dbraw/zinc/79/73/47/805797347.db2.gz LDJMTQZAGQXQRV-UHFFFAOYSA-N -1 3 297.358 3.255 20 0 CGADHM Cc1ncc(CO)c(-c2nc3ccc(C(C)C)cc3[nH]2)c1[O-] ZINC001250913670 805797356 /nfs/dbraw/zinc/79/73/56/805797356.db2.gz LDJMTQZAGQXQRV-UHFFFAOYSA-N -1 3 297.358 3.255 20 0 CGADHM COC(=O)c1ccc(-c2nc3c([n-]2)c(F)cc(F)c3F)o1 ZINC001250968574 805811558 /nfs/dbraw/zinc/81/15/58/805811558.db2.gz PMLCAGDDEVHVLG-UHFFFAOYSA-N -1 3 296.204 3.027 20 0 CGADHM Cc1cnc([N-]S(=O)(=O)/C=C/c2ccccc2)c(C)c1 ZINC001252963945 806140826 /nfs/dbraw/zinc/14/08/26/806140826.db2.gz RDLPZJPLHGMLEI-CMDGGOBGSA-N -1 3 288.372 3.111 20 0 CGADHM C[C@](O)(CNc1cccc([O-])c1Cl)c1ccccc1 ZINC001253112823 806173689 /nfs/dbraw/zinc/17/36/89/806173689.db2.gz YRFNBRYBYLEYDG-HNNXBMFYSA-N -1 3 277.751 3.365 20 0 CGADHM Cc1nnc(-c2cccc(-c3ccccc3)c2[O-])o1 ZINC001253375595 806213213 /nfs/dbraw/zinc/21/32/13/806213213.db2.gz NSXKXAPZEVYRPV-UHFFFAOYSA-N -1 3 252.273 3.418 20 0 CGADHM CC(=O)c1cccc(NC(=O)[C@H]2Cc3ccc(F)cc32)c1[O-] ZINC001160320858 806256687 /nfs/dbraw/zinc/25/66/87/806256687.db2.gz DDPSZULLTMWKNJ-AWEZNQCLSA-N -1 3 299.301 3.012 20 0 CGADHM CC12C[C@H]3C[C@@H](C1)CC(C(=O)[N-]OC/C=C/Cl)(C3)C2 ZINC001160682603 806294549 /nfs/dbraw/zinc/29/45/49/806294549.db2.gz ZYHSSTKEWODLDA-VVDVDOAZSA-N -1 3 283.799 3.393 20 0 CGADHM CC(C)(C)OC(=O)N1CCCC[C@H](NC2=CC=C[CH]2)C1 ZINC001254192127 806360781 /nfs/dbraw/zinc/36/07/81/806360781.db2.gz NZNDXSCJSNMLTI-AWEZNQCLSA-N -1 3 277.388 3.024 20 0 CGADHM C=COc1ccc(NC(=O)Cc2ccc([O-])c(F)c2)cc1 ZINC001161310883 806364113 /nfs/dbraw/zinc/36/41/13/806364113.db2.gz YDSUTLFHTZMRGW-UHFFFAOYSA-N -1 3 287.290 3.235 20 0 CGADHM O=C([N-]c1cc(-c2cccs2)on1)c1nccs1 ZINC001161601417 806397322 /nfs/dbraw/zinc/39/73/22/806397322.db2.gz PMNGYCCUFFRSHI-UHFFFAOYSA-N -1 3 277.330 3.112 20 0 CGADHM Cc1cccc([O-])c1C(=O)N[C@@H]1C[C@@]1(F)c1ccccc1 ZINC001162661433 806642306 /nfs/dbraw/zinc/64/23/06/806642306.db2.gz KYXCSKXBBBPBMA-RHSMWYFYSA-N -1 3 285.318 3.068 20 0 CGADHM CC(C)(C)OCCOC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000127599230 799015178 /nfs/dbraw/zinc/01/51/78/799015178.db2.gz RRBRSTTXKCHNPE-UHFFFAOYSA-N -1 3 280.151 3.293 20 0 CGADHM Cc1cccc([O-])c1C(=O)NCc1ccc(Cl)cc1 ZINC000140678609 799044111 /nfs/dbraw/zinc/04/41/11/799044111.db2.gz PXKXXOMYADYCOS-UHFFFAOYSA-N -1 3 275.735 3.284 20 0 CGADHM O=C(COC1CCCCC1)Nc1ccc(Cl)cc1[O-] ZINC000153487500 799059087 /nfs/dbraw/zinc/05/90/87/799059087.db2.gz SKUOOSKPEAVYLU-UHFFFAOYSA-N -1 3 283.755 3.333 20 0 CGADHM C[C@@]1(C(=O)[O-])CCCN(Cc2cc(F)cc(Cl)c2)C1 ZINC000161389757 799079061 /nfs/dbraw/zinc/07/90/61/799079061.db2.gz ZPZAUQFMFJRDCX-CQSZACIVSA-N -1 3 285.746 3.166 20 0 CGADHM CC(C)O[N-]C(=O)CCc1ccc(Cl)cc1Cl ZINC000379009247 799346799 /nfs/dbraw/zinc/34/67/99/799346799.db2.gz JZFUSFRHXZFHRU-UHFFFAOYSA-N -1 3 276.163 3.382 20 0 CGADHM CC[C@H](C)C[C@H](N)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000400394011 799546031 /nfs/dbraw/zinc/54/60/31/799546031.db2.gz LQPZOPRUAMOFKH-KWQFWETISA-N -1 3 279.315 3.017 20 0 CGADHM C[C@H](c1noc(-c2cc3c(cc2[O-])OCO3)n1)C(C)(C)C ZINC000436932855 799612508 /nfs/dbraw/zinc/61/25/08/799612508.db2.gz QZESGUAQAMOFIC-MRVPVSSYSA-N -1 3 290.319 3.321 20 0 CGADHM Cc1cccc([O-])c1C(=O)N[C@H](C)c1cccs1 ZINC000706648744 799964225 /nfs/dbraw/zinc/96/42/25/799964225.db2.gz ZFKAGKVKUYWNBJ-SNVBAGLBSA-N -1 3 261.346 3.253 20 0 CGADHM Cc1cccc([O-])c1C(=O)NCCC1=CCCCC1 ZINC000706655795 799964295 /nfs/dbraw/zinc/96/42/95/799964295.db2.gz UFPRXKBMZROKKQ-UHFFFAOYSA-N -1 3 259.349 3.321 20 0 CGADHM CCC[C@H]1CCCN(C(=O)c2c([O-])cccc2OC)C1 ZINC000708447830 799987910 /nfs/dbraw/zinc/98/79/10/799987910.db2.gz JDZWGIKKUVMMSG-LBPRGKRZSA-N -1 3 277.364 3.053 20 0 CGADHM C[C@H]1C[C@H]1c1nnc(-c2c([O-])cnc3ccccc32)o1 ZINC001256634985 806934304 /nfs/dbraw/zinc/93/43/04/806934304.db2.gz PUHPEBSQVDCFJT-WCBMZHEXSA-N -1 3 267.288 3.114 20 0 CGADHM O=c1[n-]c(NC[C@H]2CCCCO2)c(Cl)cc1Cl ZINC001164670827 806964796 /nfs/dbraw/zinc/96/47/96/806964796.db2.gz BKXCAUJOHWIORN-SSDOTTSWSA-N -1 3 277.151 3.075 20 0 CGADHM CC(C)(C)O[N-]C(=O)C[C@@H]1CCCc2ccccc21 ZINC001116411866 802344806 /nfs/dbraw/zinc/34/48/06/802344806.db2.gz WUMLXWBFPWHKIF-ZDUSSCGKSA-N -1 3 261.365 3.343 20 0 CGADHM CC(C)c1nc(CNCC2(CC(=O)[O-])CCC2)cs1 ZINC001116762099 802407387 /nfs/dbraw/zinc/40/73/87/802407387.db2.gz AYLQIHNQRNFDFC-UHFFFAOYSA-N -1 3 282.409 3.001 20 0 CGADHM COc1cc(Nc2cc(=O)[n-]c(C3CC3)n2)cc(F)c1F ZINC001174580337 809090617 /nfs/dbraw/zinc/09/06/17/809090617.db2.gz JBATZBKBNGRHKY-UHFFFAOYSA-N -1 3 293.273 3.090 20 0 CGADHM CC(=O)c1cccc([O-])c1NC(=O)[C@@H]1C[C@@H]1c1ccccc1 ZINC001181453983 810053749 /nfs/dbraw/zinc/05/37/49/810053749.db2.gz LEWRKIKUTBWWAF-HUUCEWRRSA-N -1 3 295.338 3.337 20 0 CGADHM O=C(O[C@@H]1CCSC1)c1cccc2[n-]c(C(F)F)nc21 ZINC001123035450 802904572 /nfs/dbraw/zinc/90/45/72/802904572.db2.gz UOIBAOMNBKMADU-SSDOTTSWSA-N -1 3 298.314 3.163 20 0 CGADHM Fc1cc(-c2ccc3c(c2)[N-]C(=S)C3)cc(F)n1 ZINC001243975391 803114659 /nfs/dbraw/zinc/11/46/59/803114659.db2.gz WXONDZCBGIXSBS-UHFFFAOYSA-N -1 3 262.284 3.322 20 0 CGADHM CCOC(=O)Cc1ncccc1-c1c([O-])cccc1Cl ZINC001244049316 803160236 /nfs/dbraw/zinc/16/02/36/803160236.db2.gz YAQRRGNCBFUDPP-UHFFFAOYSA-N -1 3 291.734 3.213 20 0 CGADHM O=C1C=CC(=O)N1c1ccccc1-c1c([O-])cccc1Cl ZINC001244048685 803160830 /nfs/dbraw/zinc/16/08/30/803160830.db2.gz QJVSEULTYIOZLQ-UHFFFAOYSA-N -1 3 299.713 3.142 20 0 CGADHM O=C([O-])CCc1ccc(-c2cncc3cc[nH]c32)cc1 ZINC001244189852 803234259 /nfs/dbraw/zinc/23/42/59/803234259.db2.gz ZZXWUDPIPFYNSV-UHFFFAOYSA-N -1 3 266.300 3.247 20 0 CGADHM CN(C)/C=C/c1ccncc1-c1ccc(CCC(=O)[O-])cc1 ZINC001244193983 803237100 /nfs/dbraw/zinc/23/71/00/803237100.db2.gz TTXLDBMSLZCHDH-ZRDIBKRKSA-N -1 3 296.370 3.298 20 0 CGADHM Cc1nocc1[N-]C(=O)c1sccc1C(F)F ZINC001130577071 803290062 /nfs/dbraw/zinc/29/00/62/803290062.db2.gz CBXMWTKEFDXNNL-UHFFFAOYSA-N -1 3 258.249 3.234 20 0 CGADHM [O-]c1cc(OC(F)(F)F)ccc1-c1cnc(F)nc1F ZINC001244462270 803381442 /nfs/dbraw/zinc/38/14/42/803381442.db2.gz DLYKBQAJAWUCQM-UHFFFAOYSA-N -1 3 292.163 3.026 20 0 CGADHM Cc1cc(N(C)C)ncc1-c1ccc(Cl)cc1[O-] ZINC001244470023 803385484 /nfs/dbraw/zinc/38/54/84/803385484.db2.gz WHUMDYNKMHSNSB-UHFFFAOYSA-N -1 3 262.740 3.482 20 0 CGADHM [O-]c1cc(Cl)ccc1-c1cncc2nccnc21 ZINC001244471134 803387843 /nfs/dbraw/zinc/38/78/43/803387843.db2.gz DFXVTCKKFHGNIJ-UHFFFAOYSA-N -1 3 257.680 3.051 20 0 CGADHM O=c1cc(-c2ccc(Cl)cc2[O-])ccn1-c1ccncc1 ZINC001244471277 803387874 /nfs/dbraw/zinc/38/78/74/803387874.db2.gz CVCLNTDVYVHPLI-UHFFFAOYSA-N -1 3 298.729 3.259 20 0 CGADHM Cc1cnc(-c2cc(C)c(F)c([O-])c2)nc1NC1CC1 ZINC001244495663 803403739 /nfs/dbraw/zinc/40/37/39/803403739.db2.gz HGAXNENEZYHUEC-UHFFFAOYSA-N -1 3 273.311 3.179 20 0 CGADHM COc1cnc(SC)nc1-c1cc(C)c(F)c([O-])c1 ZINC001244497005 803404247 /nfs/dbraw/zinc/40/42/47/803404247.db2.gz ZZLOAUDMTRRQOC-UHFFFAOYSA-N -1 3 280.324 3.027 20 0 CGADHM Cc1cc(-c2cc(-c3ccccn3)ncn2)cc([O-])c1F ZINC001244508376 803411471 /nfs/dbraw/zinc/41/14/71/803411471.db2.gz RICQNNLVTATHAK-UHFFFAOYSA-N -1 3 281.290 3.359 20 0 CGADHM CC(=O)Nc1c(C)ccnc1-c1cc(C)c(F)c([O-])c1 ZINC001244508836 803411828 /nfs/dbraw/zinc/41/18/28/803411828.db2.gz YRZHQIJOUTWTSH-UHFFFAOYSA-N -1 3 274.295 3.169 20 0 CGADHM Cc1cc(-c2ncccc2C(=O)OC(C)C)cc([O-])c1F ZINC001244507671 803411970 /nfs/dbraw/zinc/41/19/70/803411970.db2.gz NTORNJCGHAAJAS-UHFFFAOYSA-N -1 3 289.306 3.467 20 0 CGADHM Cc1cc(-c2cc(C)c(F)c([O-])c2)cn2ccnc12 ZINC001244521506 803415105 /nfs/dbraw/zinc/41/51/05/803415105.db2.gz UTHKSMNYLRAIND-UHFFFAOYSA-N -1 3 256.280 3.463 20 0 CGADHM Cc1cc(-c2ccc3ccnnc3c2)cc([O-])c1F ZINC001244524308 803417415 /nfs/dbraw/zinc/41/74/15/803417415.db2.gz AQUQFIPLKMKSLN-UHFFFAOYSA-N -1 3 254.264 3.450 20 0 CGADHM CCOC(=O)Cc1cc(-c2cc(C)c(F)c([O-])c2)ccn1 ZINC001244524296 803417752 /nfs/dbraw/zinc/41/77/52/803417752.db2.gz AFCCSTKQQBBJCR-UHFFFAOYSA-N -1 3 289.306 3.007 20 0 CGADHM Cc1cc(-c2cccn(-c3ccccn3)c2=O)cc([O-])c1F ZINC001244525849 803418403 /nfs/dbraw/zinc/41/84/03/803418403.db2.gz UKHLSEKPHSAEAT-UHFFFAOYSA-N -1 3 296.301 3.053 20 0 CGADHM COc1ccc(-c2cc(C)c(F)c([O-])c2)c(F)n1 ZINC001244530789 803421764 /nfs/dbraw/zinc/42/17/64/803421764.db2.gz TWHBNWNIVSBAHQ-UHFFFAOYSA-N -1 3 251.232 3.049 20 0 CGADHM Cc1nc(Nc2ccc(OC(C)C)cc2C)cc(=O)[n-]1 ZINC001211809698 814944287 /nfs/dbraw/zinc/94/42/87/814944287.db2.gz KIXMBOHADBTSIG-UHFFFAOYSA-N -1 3 273.336 3.330 20 0 CGADHM CCOc1cc(C)cc(F)c1-c1ccc(-c2nnn[n-]2)cc1 ZINC001245012342 803610470 /nfs/dbraw/zinc/61/04/70/803610470.db2.gz GEBIRDQIHHXOSJ-UHFFFAOYSA-N -1 3 298.321 3.380 20 0 CGADHM CCOc1cc(C)cc(F)c1-c1ccc(-c2nn[n-]n2)cc1 ZINC001245012342 803610472 /nfs/dbraw/zinc/61/04/72/803610472.db2.gz GEBIRDQIHHXOSJ-UHFFFAOYSA-N -1 3 298.321 3.380 20 0 CGADHM COc1cc(C)c(C)cc1-c1ccccc1-c1nnn[n-]1 ZINC001245018781 803613335 /nfs/dbraw/zinc/61/33/35/803613335.db2.gz CZGUTQIEGUBXHN-UHFFFAOYSA-N -1 3 280.331 3.159 20 0 CGADHM COc1cc(C)c(C)cc1-c1ccccc1-c1nn[n-]n1 ZINC001245018781 803613339 /nfs/dbraw/zinc/61/33/39/803613339.db2.gz CZGUTQIEGUBXHN-UHFFFAOYSA-N -1 3 280.331 3.159 20 0 CGADHM COc1c(F)nccc1-c1cc(Cl)ccc1[O-] ZINC001245050173 803622290 /nfs/dbraw/zinc/62/22/90/803622290.db2.gz CNISCGKMZCEGDY-UHFFFAOYSA-N -1 3 253.660 3.255 20 0 CGADHM COc1cc(-c2ccc([O-])cc2Cl)ncc1F ZINC001245078477 803633856 /nfs/dbraw/zinc/63/38/56/803633856.db2.gz KJHCGCCKNKJRDF-UHFFFAOYSA-N -1 3 253.660 3.255 20 0 CGADHM [O-]c1ccc(-c2nncc3cnccc32)c(Cl)c1 ZINC001245078534 803634219 /nfs/dbraw/zinc/63/42/19/803634219.db2.gz OZXKNSJBNXVNAT-UHFFFAOYSA-N -1 3 257.680 3.051 20 0 CGADHM COc1nc(C)nc(-c2ccc([O-])cc2Cl)c1C ZINC001245080117 803635392 /nfs/dbraw/zinc/63/53/92/803635392.db2.gz UBNZPJTVPAPFEV-UHFFFAOYSA-N -1 3 264.712 3.128 20 0 CGADHM COc1cc(OC)nc(-c2ccc([O-])cc2Cl)c1 ZINC001245080069 803635675 /nfs/dbraw/zinc/63/56/75/803635675.db2.gz YAZCVOLUDSROIE-UHFFFAOYSA-N -1 3 265.696 3.125 20 0 CGADHM COC(=O)c1ncc(F)cc1-c1ccc([O-])cc1Cl ZINC001245083316 803637491 /nfs/dbraw/zinc/63/74/91/803637491.db2.gz NXXBXPACNTYXON-UHFFFAOYSA-N -1 3 281.670 3.033 20 0 CGADHM CCC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(OC)cc1[O-] ZINC001136622918 803648609 /nfs/dbraw/zinc/64/86/09/803648609.db2.gz WSKCDRZDDCUFGG-IUODEOHRSA-N -1 3 291.391 3.490 20 0 CGADHM C[C@H]1CCCC[C@H]1CCNC(=O)c1ccc(O)cc1[O-] ZINC001136790706 803652630 /nfs/dbraw/zinc/65/26/30/803652630.db2.gz CQIHPGZWPPRKII-RYUDHWBXSA-N -1 3 277.364 3.044 20 0 CGADHM Cc1cccc([O-])c1C(=O)NCCc1ccc(F)cc1C ZINC001137293089 803711753 /nfs/dbraw/zinc/71/17/53/803711753.db2.gz CMPGJKXAGNGWBV-UHFFFAOYSA-N -1 3 287.334 3.121 20 0 CGADHM COc1c(C)cccc1-c1ccc(-c2nnn[n-]2)cc1C ZINC001245365895 803714864 /nfs/dbraw/zinc/71/48/64/803714864.db2.gz OVKYHBHEGQSVNJ-UHFFFAOYSA-N -1 3 280.331 3.159 20 0 CGADHM COc1c(C)cccc1-c1ccc(-c2nn[n-]n2)cc1C ZINC001245365895 803714869 /nfs/dbraw/zinc/71/48/69/803714869.db2.gz OVKYHBHEGQSVNJ-UHFFFAOYSA-N -1 3 280.331 3.159 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)Nc1cccc2ccncc21 ZINC001137336143 803719457 /nfs/dbraw/zinc/71/94/57/803719457.db2.gz QZHPDYRYUNVTKB-UHFFFAOYSA-N -1 3 296.301 3.261 20 0 CGADHM Cc1ccc(F)c(Nc2ccc([O-])c(F)c2F)n1 ZINC001212005330 814965925 /nfs/dbraw/zinc/96/59/25/814965925.db2.gz HMUGUTYPNNVLPB-UHFFFAOYSA-N -1 3 254.211 3.257 20 0 CGADHM Nc1ccc(F)c(F)c1Nc1ccc([O-])c(F)c1F ZINC001212007671 814965944 /nfs/dbraw/zinc/96/59/44/814965944.db2.gz VWJUAVMFAVWXBA-UHFFFAOYSA-N -1 3 272.201 3.274 20 0 CGADHM COc1ccc(Cl)c(Nc2ccc([O-])c(F)c2F)n1 ZINC001212005773 814965982 /nfs/dbraw/zinc/96/59/82/814965982.db2.gz UIGNLVZEXTVVGQ-UHFFFAOYSA-N -1 3 286.665 3.471 20 0 CGADHM COC(=O)c1ccccc1Nc1ccc([O-])c(F)c1F ZINC001212011230 814966493 /nfs/dbraw/zinc/96/64/93/814966493.db2.gz YUAQJYYPADSTJP-UHFFFAOYSA-N -1 3 279.242 3.201 20 0 CGADHM Cc1cc(F)c(-c2cc(-c3nnn[n-]3)ccc2F)cc1F ZINC001245543621 803802181 /nfs/dbraw/zinc/80/21/81/803802181.db2.gz LBVBETDOMBVIAQ-UHFFFAOYSA-N -1 3 290.248 3.259 20 0 CGADHM Cc1cc(F)c(-c2cc(-c3nn[n-]n3)ccc2F)cc1F ZINC001245543621 803802188 /nfs/dbraw/zinc/80/21/88/803802188.db2.gz LBVBETDOMBVIAQ-UHFFFAOYSA-N -1 3 290.248 3.259 20 0 CGADHM C[C@H](O)c1ccccc1Nc1ccc([O-])c(F)c1F ZINC001212013752 814966832 /nfs/dbraw/zinc/96/68/32/814966832.db2.gz IEJCVIFOHDBUHY-QMMMGPOBSA-N -1 3 265.259 3.467 20 0 CGADHM COc1ccc(Nc2ccc([O-])c(F)c2F)c(O)c1 ZINC001212011226 814967025 /nfs/dbraw/zinc/96/70/25/814967025.db2.gz YSLWIHDFSGDCTJ-UHFFFAOYSA-N -1 3 267.231 3.128 20 0 CGADHM COc1cccc(N)c1Nc1ccc([O-])c(F)c1F ZINC001212013922 814967046 /nfs/dbraw/zinc/96/70/46/814967046.db2.gz PVFPAAZYPAUYAC-UHFFFAOYSA-N -1 3 266.247 3.005 20 0 CGADHM O=C(Nc1ncccc1[O-])[C@H]1CCC[C@H]1c1ccccc1 ZINC001138165960 803869802 /nfs/dbraw/zinc/86/98/02/803869802.db2.gz YEKSSPCUTMTYHL-KBPBESRZSA-N -1 3 282.343 3.310 20 0 CGADHM [O-]c1cc(-c2cc3nc[nH]c3cc2F)c(F)c(F)c1F ZINC001245639572 803875650 /nfs/dbraw/zinc/87/56/50/803875650.db2.gz MXNPJGJFZKUCJT-UHFFFAOYSA-N -1 3 282.196 3.492 20 0 CGADHM O=c1ccc(-c2c([O-])cccc2F)cn1C1CCC1 ZINC001245654742 803885448 /nfs/dbraw/zinc/88/54/48/803885448.db2.gz KZNIZKGBIHNSHI-UHFFFAOYSA-N -1 3 259.280 3.085 20 0 CGADHM CCS(=O)(=O)c1ccc(F)c(-c2c([O-])cccc2F)c1 ZINC001245655294 803887768 /nfs/dbraw/zinc/88/77/68/803887768.db2.gz BOGHHKYLUVUGBX-UHFFFAOYSA-N -1 3 298.310 3.131 20 0 CGADHM [O-]c1cccc(F)c1-c1ncccc1CN1CCCC1 ZINC001245655843 803888151 /nfs/dbraw/zinc/88/81/51/803888151.db2.gz VCDKJRNGYZZASQ-UHFFFAOYSA-N -1 3 272.323 3.189 20 0 CGADHM COC(=O)c1cc(F)c(-c2c([O-])cccc2F)cc1F ZINC001245656557 803889520 /nfs/dbraw/zinc/88/95/20/803889520.db2.gz LFAXCBXZGVZZJT-UHFFFAOYSA-N -1 3 282.217 3.263 20 0 CGADHM [O-]c1cccc(F)c1-c1ccccc1Cn1ccnc1 ZINC001245656393 803889666 /nfs/dbraw/zinc/88/96/66/803889666.db2.gz PNBMYDZKQUSLIM-UHFFFAOYSA-N -1 3 268.291 3.443 20 0 CGADHM CN(C)c1ncc2cc(-c3c([O-])cccc3F)ccc2n1 ZINC001245657011 803890794 /nfs/dbraw/zinc/89/07/94/803890794.db2.gz YXBPVPUHCYLLIT-UHFFFAOYSA-N -1 3 283.306 3.208 20 0 CGADHM [O-]c1cccc(F)c1-c1ccc2c(c1)CCC21OCCO1 ZINC001245658000 803891690 /nfs/dbraw/zinc/89/16/90/803891690.db2.gz WSSVQLLYLREFHW-UHFFFAOYSA-N -1 3 286.302 3.344 20 0 CGADHM [O-]c1cc(F)c(-c2ccc3cncn3c2)cc1Cl ZINC001245669818 803898637 /nfs/dbraw/zinc/89/86/37/803898637.db2.gz NFTJVYWIULFHOA-UHFFFAOYSA-N -1 3 262.671 3.499 20 0 CGADHM Cc1c(F)ccc(-c2ccccc2-c2nnn[n-]2)c1F ZINC001245691589 803912822 /nfs/dbraw/zinc/91/28/22/803912822.db2.gz FUPMIPMQKOLUPB-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM Cc1c(F)ccc(-c2ccccc2-c2nn[n-]n2)c1F ZINC001245691589 803912828 /nfs/dbraw/zinc/91/28/28/803912828.db2.gz FUPMIPMQKOLUPB-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM [O-]c1ccc(CN2CCC[C@@H]3CCC[C@H]32)c(F)c1F ZINC001140893173 804543572 /nfs/dbraw/zinc/54/35/72/804543572.db2.gz JUYUYACAFQISGC-CMPLNLGQSA-N -1 3 267.319 3.435 20 0 CGADHM [O-]c1c(F)cc(CN2CCC3(CC(F)C3)CC2)cc1F ZINC001140988577 804564546 /nfs/dbraw/zinc/56/45/46/804564546.db2.gz DXOSMCWIXFHMCB-UHFFFAOYSA-N -1 3 285.309 3.385 20 0 CGADHM Cc1ccc(CN(C)Cc2cc(F)c([O-])c(F)c2)cn1 ZINC001140992015 804564837 /nfs/dbraw/zinc/56/48/37/804564837.db2.gz JGZRCYCNSBEWJB-UHFFFAOYSA-N -1 3 278.302 3.006 20 0 CGADHM Cc1ccc(C(=O)NC[C@@H]2CSc3ccccc32)c([O-])c1 ZINC001141356361 804634731 /nfs/dbraw/zinc/63/47/31/804634731.db2.gz ODUJYUWPACTTNW-GFCCVEGCSA-N -1 3 299.395 3.320 20 0 CGADHM C/C(=C/c1ccc(C)cc1)C(=O)[N-]OCc1ccccn1 ZINC001141946197 804682028 /nfs/dbraw/zinc/68/20/28/804682028.db2.gz DVGWTDTXIYXSNV-KAMYIIQDSA-N -1 3 282.343 3.041 20 0 CGADHM Nc1ccc(Cl)nc1Nc1cc(F)cc(F)c1[O-] ZINC001212479915 815035272 /nfs/dbraw/zinc/03/52/72/815035272.db2.gz YYCJTZGWZZIPPK-UHFFFAOYSA-N -1 3 271.654 3.045 20 0 CGADHM CC(C)O[C@H]1CCN(Cc2ccc(Cl)cc2C(=O)[O-])C1 ZINC001142664014 804751500 /nfs/dbraw/zinc/75/15/00/804751500.db2.gz ZHYQQGPLDMYSQI-ZDUSSCGKSA-N -1 3 297.782 3.038 20 0 CGADHM O=C([N-]c1cc(C2CCCC2)no1)C(=O)c1ccccc1 ZINC001142681994 804756273 /nfs/dbraw/zinc/75/62/73/804756273.db2.gz RTFDMJKSGQPWAC-UHFFFAOYSA-N -1 3 284.315 3.154 20 0 CGADHM O=C(Nc1cc2ccccc2cc1[O-])C(F)(F)F ZINC001142768315 804766329 /nfs/dbraw/zinc/76/63/29/804766329.db2.gz HQZOLKWLBSWGIK-UHFFFAOYSA-N -1 3 255.195 3.046 20 0 CGADHM CC(=O)c1cccc([O-])c1NC(=O)C=Cc1ccccc1 ZINC001142869026 804776630 /nfs/dbraw/zinc/77/66/30/804776630.db2.gz HTLLDYRWUODHEW-ZHACJKMWSA-N -1 3 281.311 3.247 20 0 CGADHM Nc1cc2nn(-c3cc(F)cc(F)c3[O-])cc2cc1Cl ZINC001212492612 815040308 /nfs/dbraw/zinc/04/03/08/815040308.db2.gz DYTNCXDMDVDHFY-UHFFFAOYSA-N -1 3 295.676 3.245 20 0 CGADHM Cc1cccc2[nH]c(Nc3ccc(C(N)=O)c([O-])c3)cc21 ZINC001248449191 804934397 /nfs/dbraw/zinc/93/43/97/804934397.db2.gz FYRVAEVBUOBGMK-UHFFFAOYSA-N -1 3 281.315 3.024 20 0 CGADHM CC(=O)c1cccc([O-])c1NC(=O)CCc1ccccc1C ZINC001144435338 804988633 /nfs/dbraw/zinc/98/86/33/804988633.db2.gz GHZIXFHODXYFKZ-UHFFFAOYSA-N -1 3 297.354 3.475 20 0 CGADHM CC(=O)c1cccc([O-])c1NC(=O)[C@H](C)Oc1ccccc1 ZINC001144498036 804996305 /nfs/dbraw/zinc/99/63/05/804996305.db2.gz VZLGEYOWGGQECV-LBPRGKRZSA-N -1 3 299.326 3.001 20 0 CGADHM Cc1ccccc1[C@H](O)C(=O)Nc1cc([O-])cc(Cl)c1 ZINC001144532734 804999343 /nfs/dbraw/zinc/99/93/43/804999343.db2.gz VWAPZOWTYOAVHL-AWEZNQCLSA-N -1 3 291.734 3.026 20 0 CGADHM [O-]c1cc(F)c(CN2CCCC3(CCC3)C2)c(F)c1 ZINC001144561280 805006176 /nfs/dbraw/zinc/00/61/76/805006176.db2.gz FBDGYYKBQAPOPA-UHFFFAOYSA-N -1 3 267.319 3.437 20 0 CGADHM C=Cc1ccc(CNC(=O)Cc2ccc([O-])c(F)c2)cc1 ZINC001144632950 805016515 /nfs/dbraw/zinc/01/65/15/805016515.db2.gz XWDIWKULIFCJNY-UHFFFAOYSA-N -1 3 285.318 3.033 20 0 CGADHM CC1(C)CCN(Cc2cc(F)c([O-])cc2F)CC1 ZINC001144667061 805029997 /nfs/dbraw/zinc/02/99/97/805029997.db2.gz QOAOYXZCGGKAHP-UHFFFAOYSA-N -1 3 255.308 3.292 20 0 CGADHM O=C([O-])c1ccsc1CN1CCC(C(F)(F)F)CC1 ZINC001144670680 805031844 /nfs/dbraw/zinc/03/18/44/805031844.db2.gz NKZQAMWLXNICJX-UHFFFAOYSA-N -1 3 293.310 3.221 20 0 CGADHM COCc1csc(C(=O)[N-]c2ncccc2SC)c1 ZINC001144820499 805056433 /nfs/dbraw/zinc/05/64/33/805056433.db2.gz JCLOHERJFMVFHD-UHFFFAOYSA-N -1 3 294.401 3.264 20 0 CGADHM Cc1ccc(C(=O)Nc2cnc(Cl)nc2Cl)c([O-])c1 ZINC001148491780 805188122 /nfs/dbraw/zinc/18/81/22/805188122.db2.gz APNDNBKPWNLCFE-UHFFFAOYSA-N -1 3 298.129 3.050 20 0 CGADHM CC(=O)c1cccc(NC(=O)c2ccc(C)cc2[O-])c1C ZINC001148500032 805191819 /nfs/dbraw/zinc/19/18/19/805191819.db2.gz HULHXDJKDLCKKE-UHFFFAOYSA-N -1 3 283.327 3.464 20 0 CGADHM Cc1nc2ccccc2c(C(=O)N[C@@H](C)C(C)C)c1[O-] ZINC001149186766 805224071 /nfs/dbraw/zinc/22/40/71/805224071.db2.gz UVONXYMSGPSZQW-JTQLQIEISA-N -1 3 272.348 3.023 20 0 CGADHM Cc1nc2ccccc2c(C(=O)Nc2cccnc2F)c1[O-] ZINC001149190143 805224460 /nfs/dbraw/zinc/22/44/60/805224460.db2.gz FSSOEIVQYQSXHH-UHFFFAOYSA-N -1 3 297.289 3.035 20 0 CGADHM COc1ccc2[nH]c(Nc3cc(=O)[n-]c(C4CC4)n3)cc2c1 ZINC001249879830 805274680 /nfs/dbraw/zinc/27/46/80/805274680.db2.gz CROAWLAGCORUED-UHFFFAOYSA-N -1 3 296.330 3.293 20 0 CGADHM O=C(Nc1cccc([O-])c1F)c1cc2ccncc2s1 ZINC001151092454 805281720 /nfs/dbraw/zinc/28/17/20/805281720.db2.gz HPPCHJVUXBNCHA-UHFFFAOYSA-N -1 3 288.303 3.393 20 0 CGADHM O=C(Nc1cc([O-])cc(Cl)c1)c1ccc2[nH]cnc2c1 ZINC001151094260 805282298 /nfs/dbraw/zinc/28/22/98/805282298.db2.gz YKAPWMUYOLYVNL-UHFFFAOYSA-N -1 3 287.706 3.174 20 0 CGADHM COc1ccc(C(C)=O)c(Nc2cccc([O-])c2F)c1 ZINC001212552396 815065228 /nfs/dbraw/zinc/06/52/28/815065228.db2.gz PTHQCNISWHOOQQ-UHFFFAOYSA-N -1 3 275.279 3.486 20 0 CGADHM Cc1ccnc(F)c1Nc1ncc(Br)cc1[O-] ZINC001212554249 815066256 /nfs/dbraw/zinc/06/62/56/815066256.db2.gz OBJNNNAAQJMTFI-UHFFFAOYSA-N -1 3 298.115 3.136 20 0 CGADHM Nc1ccc2nn(-c3c([O-])cccc3F)c(Cl)c2c1 ZINC001249994876 805352795 /nfs/dbraw/zinc/35/27/95/805352795.db2.gz UWHDNJJMXWVBRY-UHFFFAOYSA-N -1 3 277.686 3.106 20 0 CGADHM Cc1cccc(C)c1NC(=O)Cc1ccc(F)c([O-])c1 ZINC001250006668 805362012 /nfs/dbraw/zinc/36/20/12/805362012.db2.gz MQIXSVFUTADSQJ-UHFFFAOYSA-N -1 3 273.307 3.329 20 0 CGADHM Nc1cccc2ncn(-c3cc(Cl)c([O-])cc3F)c21 ZINC001250022327 805373881 /nfs/dbraw/zinc/37/38/81/805373881.db2.gz IQPCLUWBKJJMHW-UHFFFAOYSA-N -1 3 277.686 3.106 20 0 CGADHM CCOC(=O)c1ccc([N-]c2nonc2C2CC2)cc1C ZINC001250083301 805406177 /nfs/dbraw/zinc/40/61/77/805406177.db2.gz AXMXIVBXDBQXOX-UHFFFAOYSA-N -1 3 287.319 3.176 20 0 CGADHM O=C(c1c(O)cc2ccccc2c1[O-])N1C2CCC1CC2 ZINC001154027949 805428408 /nfs/dbraw/zinc/42/84/08/805428408.db2.gz JYLKJIQXQDKXCV-UHFFFAOYSA-N -1 3 283.327 3.018 20 0 CGADHM O=C(Nc1ncccc1[O-])c1ccc2ccccc2c1F ZINC001154290920 805445660 /nfs/dbraw/zinc/44/56/60/805445660.db2.gz KJUAOWPKPWEFSI-UHFFFAOYSA-N -1 3 282.274 3.332 20 0 CGADHM COc1ccnc(Nc2ccc(Cl)c([O-])c2)c1 ZINC001212588511 815078883 /nfs/dbraw/zinc/07/88/83/815078883.db2.gz RQKGCOKBZPFZQC-UHFFFAOYSA-N -1 3 250.685 3.193 20 0 CGADHM COc1ncccc1Nc1ccc(Cl)c([O-])c1 ZINC001212588679 815079129 /nfs/dbraw/zinc/07/91/29/815079129.db2.gz YGMAANALOIDDKQ-UHFFFAOYSA-N -1 3 250.685 3.193 20 0 CGADHM [O-]c1c(F)cc(F)cc1Cc1cc(F)cc2c1OCOC2 ZINC001250206109 805489087 /nfs/dbraw/zinc/48/90/87/805489087.db2.gz PRVRIKDSMWLJAG-UHFFFAOYSA-N -1 3 296.244 3.267 20 0 CGADHM NC(=O)c1ccc(F)cc1Nc1ccc(Cl)c([O-])c1 ZINC001212593408 815079751 /nfs/dbraw/zinc/07/97/51/815079751.db2.gz PJQHIHLAVVHWMX-UHFFFAOYSA-N -1 3 280.686 3.027 20 0 CGADHM CS(=O)(=O)c1ccccc1Nc1ccc(Cl)c([O-])c1 ZINC001212592594 815080293 /nfs/dbraw/zinc/08/02/93/815080293.db2.gz XMNRDILLLILOJC-UHFFFAOYSA-N -1 3 297.763 3.193 20 0 CGADHM COC(=O)c1c(O)cccc1Nc1ccc(Cl)c([O-])c1 ZINC001212594313 815081211 /nfs/dbraw/zinc/08/12/11/815081211.db2.gz WCYUJQMHYAJDQW-UHFFFAOYSA-N -1 3 293.706 3.281 20 0 CGADHM FC(F)(F)c1ncc(-c2nnc(C3CCCC3)o2)[n-]1 ZINC001257572122 807199832 /nfs/dbraw/zinc/19/98/32/807199832.db2.gz NODMUVCKAAIYDI-UHFFFAOYSA-N -1 3 272.230 3.136 20 0 CGADHM FC(F)(F)c1nc(-c2nnc(C3CCCC3)o2)c[n-]1 ZINC001257572122 807199835 /nfs/dbraw/zinc/19/98/35/807199835.db2.gz NODMUVCKAAIYDI-UHFFFAOYSA-N -1 3 272.230 3.136 20 0 CGADHM CC(C)(C)Cc1nnc(Cc2ccc([O-])cc2F)o1 ZINC001257861669 807229375 /nfs/dbraw/zinc/22/93/75/807229375.db2.gz OKTCRYWGJBBXOW-UHFFFAOYSA-N -1 3 264.300 3.094 20 0 CGADHM Cc1cc(Cl)cc(-c2noc(-c3cncc([O-])c3)n2)c1 ZINC001212708380 815109527 /nfs/dbraw/zinc/10/95/27/815109527.db2.gz GWYJIDFRVAKUTC-UHFFFAOYSA-N -1 3 287.706 3.466 20 0 CGADHM COc1ccc([O-])c(-c2nnc(Cc3ccccc3C)o2)c1 ZINC001258375766 807432155 /nfs/dbraw/zinc/43/21/55/807432155.db2.gz JBSBWOAZQYOVFF-UHFFFAOYSA-N -1 3 296.326 3.350 20 0 CGADHM Cc1cnc([N-]S(=O)(=O)CC2CCCCC2)c(C)c1 ZINC001259614052 807682205 /nfs/dbraw/zinc/68/22/05/807682205.db2.gz KZKRCVYLOCXKPX-UHFFFAOYSA-N -1 3 282.409 3.020 20 0 CGADHM CC(C)CS(=O)(=O)[N-]c1ccc(F)cc1C(F)(F)F ZINC001259877846 807690419 /nfs/dbraw/zinc/69/04/19/807690419.db2.gz WBYUIXBYTYAPLV-UHFFFAOYSA-N -1 3 299.289 3.242 20 0 CGADHM CC(C)CS(=O)(=O)[N-]c1c(F)cccc1OC(C)C ZINC001259887367 807693323 /nfs/dbraw/zinc/69/33/23/807693323.db2.gz YQAYQZXCOARNCY-UHFFFAOYSA-N -1 3 289.372 3.011 20 0 CGADHM [O-]c1cccnc1CNc1c(F)cccc1Br ZINC001169732008 807699691 /nfs/dbraw/zinc/69/96/91/807699691.db2.gz WIVGOKYGWXVOIY-UHFFFAOYSA-N -1 3 297.127 3.301 20 0 CGADHM COc1cc(F)cc2ccc(NCc3ncccc3[O-])nc21 ZINC001169734413 807701258 /nfs/dbraw/zinc/70/12/58/807701258.db2.gz XMTZSQRNSNXWNC-UHFFFAOYSA-N -1 3 299.305 3.095 20 0 CGADHM CC(C)c1nc(C(=O)[N-]c2c(F)ccnc2F)cs1 ZINC001261216387 807716067 /nfs/dbraw/zinc/71/60/67/807716067.db2.gz UALPVWGNOXHKTI-UHFFFAOYSA-N -1 3 283.303 3.192 20 0 CGADHM Cc1ncc(Nc2ccc3c(c2)CCC(C)(C)O3)c(=O)[n-]1 ZINC001213012194 815198070 /nfs/dbraw/zinc/19/80/70/815198070.db2.gz AESYXNFTKXLVDL-UHFFFAOYSA-N -1 3 285.347 3.338 20 0 CGADHM [O-]c1c(F)cc(Nc2ccc3c(c2)OCCO3)cc1F ZINC001173878916 808734386 /nfs/dbraw/zinc/73/43/86/808734386.db2.gz MOHSZIOYSCAHRV-UHFFFAOYSA-N -1 3 279.242 3.185 20 0 CGADHM [O-]c1cc(Cl)cnc1Nc1ccnc2ccccc21 ZINC001174038266 808835754 /nfs/dbraw/zinc/83/57/54/808835754.db2.gz AOPKTPPAXWRVTF-UHFFFAOYSA-N -1 3 271.707 3.154 20 0 CGADHM CCCn1cc(Nc2cc(F)c([O-])cc2F)cn1 ZINC001174221337 808909174 /nfs/dbraw/zinc/90/91/74/808909174.db2.gz NNXNVYZAMJZJNV-UHFFFAOYSA-N -1 3 253.252 3.021 20 0 CGADHM CC(C)(C)c1cc(-n2[n-]c(=O)c3ccc(N)cc32)ccn1 ZINC001213168495 815250361 /nfs/dbraw/zinc/25/03/61/815250361.db2.gz JBTQSXKSTBNVEM-UHFFFAOYSA-N -1 3 282.347 3.006 20 0 CGADHM Cc1ncc(Nc2ccc(C(F)(F)F)cc2F)c(=O)[n-]1 ZINC001174400553 808997505 /nfs/dbraw/zinc/99/75/05/808997505.db2.gz IYDKNUVKVZHGER-UHFFFAOYSA-N -1 3 287.216 3.392 20 0 CGADHM [O-]c1cc(Nc2cnn(CC3CC3)c2)c(F)cc1F ZINC001174469813 809027081 /nfs/dbraw/zinc/02/70/81/809027081.db2.gz NLAYGFGITAYAJC-UHFFFAOYSA-N -1 3 265.263 3.021 20 0 CGADHM CCn1cc([N-]c2nc3cc(Cl)ccc3o2)cn1 ZINC001174566686 809086871 /nfs/dbraw/zinc/08/68/71/809086871.db2.gz WSTRTJGYWSMHST-UHFFFAOYSA-N -1 3 262.700 3.441 20 0 CGADHM Cc1nocc1[N-]C(=O)c1ccc(-c2ccccc2)o1 ZINC001277811798 809099564 /nfs/dbraw/zinc/09/95/64/809099564.db2.gz NJJGDJDNOYUJGG-UHFFFAOYSA-N -1 3 268.272 3.495 20 0 CGADHM Cc1ncc(Nc2ccc(C(F)F)cc2)c(=O)[n-]1 ZINC001174714855 809141024 /nfs/dbraw/zinc/14/10/24/809141024.db2.gz HBEMBOYNQCLBKR-UHFFFAOYSA-N -1 3 251.236 3.172 20 0 CGADHM [O-]c1c(F)cc(Nc2ccc(O)c(F)c2)cc1F ZINC001174737894 809147415 /nfs/dbraw/zinc/14/74/15/809147415.db2.gz IOSURGBDZBMUKJ-UHFFFAOYSA-N -1 3 255.195 3.259 20 0 CGADHM NC(=O)c1ccc(Nc2ccc(C(F)(F)F)cc2)cc1[O-] ZINC001174775539 809160897 /nfs/dbraw/zinc/16/08/97/809160897.db2.gz XAEDKSRIOMRPAY-UHFFFAOYSA-N -1 3 296.248 3.254 20 0 CGADHM Nc1ccc(Cl)nc1Nc1cc(F)c([O-])c(F)c1 ZINC001213373617 815271746 /nfs/dbraw/zinc/27/17/46/815271746.db2.gz OROLNAJUIQQCEK-UHFFFAOYSA-N -1 3 271.654 3.045 20 0 CGADHM [O-]c1c(F)cc(Nc2cccnc2Cl)cc1F ZINC001213371348 815271993 /nfs/dbraw/zinc/27/19/93/815271993.db2.gz YXZITNWVDSZWAR-UHFFFAOYSA-N -1 3 256.639 3.462 20 0 CGADHM Cc1nc(Cl)cc(Nc2cc(F)c([O-])c(F)c2)n1 ZINC001213371327 815272073 /nfs/dbraw/zinc/27/20/73/815272073.db2.gz YFJOJZLXKOHCRL-UHFFFAOYSA-N -1 3 271.654 3.166 20 0 CGADHM [O-]c1c(F)cc(Nc2cc(-c3ccccn3)no2)cc1F ZINC001213374981 815272263 /nfs/dbraw/zinc/27/22/63/815272263.db2.gz JETAXVQXTZILEO-UHFFFAOYSA-N -1 3 289.241 3.464 20 0 CGADHM [O-]c1c(F)cc(Nc2cn(CC(F)(F)F)cn2)cc1F ZINC001213377655 815272864 /nfs/dbraw/zinc/27/28/64/815272864.db2.gz VKPSQYVSYOKFOP-UHFFFAOYSA-N -1 3 293.195 3.173 20 0 CGADHM COc1ccc(Nc2ncc(Cl)cc2[O-])c(F)c1F ZINC001175020781 809241992 /nfs/dbraw/zinc/24/19/92/809241992.db2.gz UGJZTJARZYZRJD-UHFFFAOYSA-N -1 3 286.665 3.471 20 0 CGADHM COC(=O)c1cc(F)ccc1Nc1cc(F)c([O-])c(F)c1 ZINC001213382038 815273901 /nfs/dbraw/zinc/27/39/01/815273901.db2.gz WOHXLCVRMCISOX-UHFFFAOYSA-N -1 3 297.232 3.340 20 0 CGADHM Cc1ncc(Nc2cc(C(F)(F)F)ccc2F)c(=O)[n-]1 ZINC001175076393 809261084 /nfs/dbraw/zinc/26/10/84/809261084.db2.gz MEDMOBADPTUZRT-UHFFFAOYSA-N -1 3 287.216 3.392 20 0 CGADHM CCOc1ccc(N)cc1Nc1c(F)cc([O-])cc1F ZINC001175097096 809269627 /nfs/dbraw/zinc/26/96/27/809269627.db2.gz PBEBVLAXBHVNTI-UHFFFAOYSA-N -1 3 280.274 3.395 20 0 CGADHM [O-]c1c(F)cc(Nc2ccc3c(c2)[C@@H](O)CC3)cc1F ZINC001213390816 815275591 /nfs/dbraw/zinc/27/55/91/815275591.db2.gz SJTUQNXKRXDOSH-AWEZNQCLSA-N -1 3 277.270 3.394 20 0 CGADHM COc1ccc(O)c(Nc2c(F)cc([O-])cc2F)c1 ZINC001175100312 809270838 /nfs/dbraw/zinc/27/08/38/809270838.db2.gz PHFOHAXXHGUKQD-UHFFFAOYSA-N -1 3 267.231 3.128 20 0 CGADHM [O-]c1cc(F)c(Nc2ccc3nsnc3c2)c(F)c1 ZINC001175100460 809271762 /nfs/dbraw/zinc/27/17/62/809271762.db2.gz NQZKUIWOKDSEGB-UHFFFAOYSA-N -1 3 279.271 3.419 20 0 CGADHM Nc1ccc(F)c(F)c1Nc1c(F)cc([O-])cc1F ZINC001175100513 809272314 /nfs/dbraw/zinc/27/23/14/809272314.db2.gz WKDZPQXNFHWBGP-UHFFFAOYSA-N -1 3 272.201 3.274 20 0 CGADHM CN(C)Cc1ccccc1Nc1ccc(C(=O)[O-])c(F)c1 ZINC001175159420 809292585 /nfs/dbraw/zinc/29/25/85/809292585.db2.gz AWODHECTMHPLNI-UHFFFAOYSA-N -1 3 288.322 3.329 20 0 CGADHM CC(C)OC(=O)c1ccc([N-]c2nonc2C2CC2)cc1 ZINC001175259069 809328441 /nfs/dbraw/zinc/32/84/41/809328441.db2.gz XMDVUGWZEJVWMC-UHFFFAOYSA-N -1 3 287.319 3.256 20 0 CGADHM [O-]c1ccc(F)c(Nc2ncccc2Cl)c1F ZINC001175263411 809328850 /nfs/dbraw/zinc/32/88/50/809328850.db2.gz KTWLRATVWDOOSF-UHFFFAOYSA-N -1 3 256.639 3.462 20 0 CGADHM CC(=O)c1cc(Nc2c(F)ccc([O-])c2F)cnc1C ZINC001175266641 809331258 /nfs/dbraw/zinc/33/12/58/809331258.db2.gz VGZRHZQTLALITF-UHFFFAOYSA-N -1 3 278.258 3.320 20 0 CGADHM COCCN(c1ccccc1N)c1c(F)ccc([O-])c1F ZINC001175270923 809333896 /nfs/dbraw/zinc/33/38/96/809333896.db2.gz OEOVYMFXWMWAKY-UHFFFAOYSA-N -1 3 294.301 3.037 20 0 CGADHM COc1ncc(C)cc1[N-]c1nc(C(C)(C)C)ns1 ZINC001175337825 809363587 /nfs/dbraw/zinc/36/35/87/809363587.db2.gz XFFLYKBQDVPHKC-UHFFFAOYSA-N -1 3 278.381 3.291 20 0 CGADHM CCOc1ccc(Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001175430059 809401351 /nfs/dbraw/zinc/40/13/51/809401351.db2.gz CGWDZBTVDCNTDC-UHFFFAOYSA-N -1 3 281.319 3.009 20 0 CGADHM Fc1cc(F)c(Nc2ccc(-c3nn[n-]n3)cc2)cc1F ZINC001175429965 809401570 /nfs/dbraw/zinc/40/15/70/809401570.db2.gz YEICPIFHNXMVQZ-UHFFFAOYSA-N -1 3 291.236 3.028 20 0 CGADHM CCc1ccc(C(=O)NCC2(c3ccccc3)CC2)c([O-])c1 ZINC001290463879 809407355 /nfs/dbraw/zinc/40/73/55/809407355.db2.gz QBPAUPKCJRIYHD-UHFFFAOYSA-N -1 3 295.382 3.416 20 0 CGADHM Cc1nc(Nc2cccc(C3CC3)c2C)cc(=O)[n-]1 ZINC001213470978 815286658 /nfs/dbraw/zinc/28/66/58/815286658.db2.gz MUDBTEJAFFNYLR-UHFFFAOYSA-N -1 3 255.321 3.420 20 0 CGADHM COc1cccc([O-])c1C(=O)N[C@@H]1CCC(C)(C)C[C@@H]1C ZINC001294397665 809468527 /nfs/dbraw/zinc/46/85/27/809468527.db2.gz VWENAGZSIJHMEZ-NWDGAFQWSA-N -1 3 291.391 3.345 20 0 CGADHM Cc1cccc(Cl)c1C(=O)NCc1ccc([O-])c(F)c1 ZINC001294866354 809476715 /nfs/dbraw/zinc/47/67/15/809476715.db2.gz AXWRQCCWHVBGGX-UHFFFAOYSA-N -1 3 293.725 3.423 20 0 CGADHM CC[C@@H](NC(=O)c1ccc(O)cc1[O-])c1ccc(F)cc1 ZINC001295463789 809488250 /nfs/dbraw/zinc/48/82/50/809488250.db2.gz YLSPZTPXUIIEAR-CQSZACIVSA-N -1 3 289.306 3.118 20 0 CGADHM Cc1ncccc1/C=C\C(=O)Nc1c([O-])cccc1Cl ZINC001298549668 809534121 /nfs/dbraw/zinc/53/41/21/809534121.db2.gz AIZVCSBXLNCMDF-FPLPWBNLSA-N -1 3 288.734 3.401 20 0 CGADHM CCCn1nc(C)cc1[N-]c1nnc(C(C)(C)C)o1 ZINC001175799271 809546139 /nfs/dbraw/zinc/54/61/39/809546139.db2.gz OSDQBIJWAAWRLT-UHFFFAOYSA-N -1 3 263.345 3.026 20 0 CGADHM CCc1cccc(C(=O)Nc2ncccc2SC)c1[O-] ZINC001300261599 809565406 /nfs/dbraw/zinc/56/54/06/809565406.db2.gz OMNMIHBGZKTOME-UHFFFAOYSA-N -1 3 288.372 3.324 20 0 CGADHM Cc1ccc(C(=O)NCC(C)(C)CC(F)F)c([O-])c1 ZINC001303155908 809605350 /nfs/dbraw/zinc/60/53/50/809605350.db2.gz JUWOMJSUTGPBAD-UHFFFAOYSA-N -1 3 271.307 3.112 20 0 CGADHM O=c1[n-]cncc1Nc1ccc(Oc2ccccc2)nc1 ZINC001176376474 809681717 /nfs/dbraw/zinc/68/17/17/809681717.db2.gz ODXIZJHRSIQTNS-UHFFFAOYSA-N -1 3 280.287 3.113 20 0 CGADHM CC(C)(C)Oc1ccc(Nc2cnc[n-]c2=O)cc1 ZINC001176638183 809735397 /nfs/dbraw/zinc/73/53/97/809735397.db2.gz LJCKGPFAYCMFRO-UHFFFAOYSA-N -1 3 259.309 3.103 20 0 CGADHM O=C(Nc1ccc(F)c([O-])c1)[C@H]1CCC(=O)c2ccccc21 ZINC001178925161 809894303 /nfs/dbraw/zinc/89/43/03/809894303.db2.gz FNOAWMAXQBMCPM-ZDUSSCGKSA-N -1 3 299.301 3.230 20 0 CGADHM COc1cccc(C2CC2)c1Nc1cnc(C)[n-]c1=O ZINC001213816481 815336545 /nfs/dbraw/zinc/33/65/45/815336545.db2.gz OGGLLIGSTNPXQE-UHFFFAOYSA-N -1 3 271.320 3.120 20 0 CGADHM CCc1nocc1C(=O)[N-]c1cc(-c2cccs2)on1 ZINC001183913602 810168879 /nfs/dbraw/zinc/16/88/79/810168879.db2.gz GESIVFHWZKBHEP-UHFFFAOYSA-N -1 3 289.316 3.206 20 0 CGADHM NC(=O)c1ccc(Nc2c(Cl)ccc(F)c2F)cc1[O-] ZINC001213952072 815350214 /nfs/dbraw/zinc/35/02/14/815350214.db2.gz IXRSRFKBNAEWJG-UHFFFAOYSA-N -1 3 298.676 3.166 20 0 CGADHM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1C[N-]S(=O)(=O)c1ccco1 ZINC001186186314 810320020 /nfs/dbraw/zinc/32/00/20/810320020.db2.gz NQXAZXRGOBPEFB-RDBSUJKOSA-N -1 3 299.436 3.266 20 0 CGADHM Cc1cccc(C)c1CNC(=O)c1c(C)cccc1[O-] ZINC001188660224 810500538 /nfs/dbraw/zinc/50/05/38/810500538.db2.gz WDFBGSXMBVTZDK-UHFFFAOYSA-N -1 3 269.344 3.247 20 0 CGADHM O=C([N-]c1cc(C2CCCC2)no1)Nc1nccs1 ZINC001189342569 810560768 /nfs/dbraw/zinc/56/07/68/810560768.db2.gz HFMZOWHMKMRSOC-UHFFFAOYSA-N -1 3 278.337 3.433 20 0 CGADHM Cc1ccc(O)c(Nc2cc([O-])c(F)cc2F)c1 ZINC001214227563 815388179 /nfs/dbraw/zinc/38/81/79/815388179.db2.gz LLIWOQGCGQHPOT-UHFFFAOYSA-N -1 3 251.232 3.428 20 0 CGADHM CC(C)(C)c1ccc(NC(=O)Nc2cnc[n-]c2=O)cc1 ZINC001191131392 810680838 /nfs/dbraw/zinc/68/08/38/810680838.db2.gz IBHNTUVUWJDFBE-UHFFFAOYSA-N -1 3 286.335 3.124 20 0 CGADHM O=C(Nc1ccc(F)c([O-])c1)NC1CCCCCC1 ZINC001191270093 810695205 /nfs/dbraw/zinc/69/52/05/810695205.db2.gz HFEJRCSKEJVDGL-UHFFFAOYSA-N -1 3 266.316 3.376 20 0 CGADHM Cc1nc(C(=O)Nc2cc([O-])cc(Cl)c2)sc1C ZINC001192606279 810810108 /nfs/dbraw/zinc/81/01/08/810810108.db2.gz MXYYVUZSLSPNPV-UHFFFAOYSA-N -1 3 282.752 3.371 20 0 CGADHM CCC1(NC(=O)c2c(C)cc(O)cc2[O-])CCCCC1 ZINC001193945284 810983374 /nfs/dbraw/zinc/98/33/74/810983374.db2.gz BGABDOQNAQQUEX-UHFFFAOYSA-N -1 3 277.364 3.249 20 0 CGADHM Cc1cc(O)cc([O-])c1C(=O)N[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC001193945382 810984549 /nfs/dbraw/zinc/98/45/49/810984549.db2.gz CNIZAEJWYQRBLC-ZYHUDNBSSA-N -1 3 291.391 3.351 20 0 CGADHM Cc1cccc(C)c1S(=O)(=O)[N-]c1cnccc1Cl ZINC001194606220 811094300 /nfs/dbraw/zinc/09/43/00/811094300.db2.gz XSVUJEQJWFHGAH-UHFFFAOYSA-N -1 3 296.779 3.153 20 0 CGADHM Cc1cnc(C)c(Nc2c(Cl)ccc([O-])c2F)n1 ZINC001214553890 815422237 /nfs/dbraw/zinc/42/22/37/815422237.db2.gz FQLVWMPKIYQLME-UHFFFAOYSA-N -1 3 267.691 3.335 20 0 CGADHM Nc1cc(F)cnc1Nc1c(Cl)ccc([O-])c1F ZINC001214556543 815423076 /nfs/dbraw/zinc/42/30/76/815423076.db2.gz WRPBPHVYJDUYTG-UHFFFAOYSA-N -1 3 271.654 3.045 20 0 CGADHM Cc1cn(-c2c(Cl)ccc([O-])c2F)c2ncc(N)cc12 ZINC001214558014 815424602 /nfs/dbraw/zinc/42/46/02/815424602.db2.gz OICUJEXKJCAYRM-UHFFFAOYSA-N -1 3 291.713 3.414 20 0 CGADHM Cc1ccc(C(N)=O)cc1Nc1c(Cl)ccc([O-])c1F ZINC001214561451 815424122 /nfs/dbraw/zinc/42/41/22/815424122.db2.gz MQLQCVVUXCGRGJ-UHFFFAOYSA-N -1 3 294.713 3.336 20 0 CGADHM Nc1ccc(N(c2c(Cl)ccc([O-])c2F)C2CC2)nc1 ZINC001214558466 815424182 /nfs/dbraw/zinc/42/41/82/815424182.db2.gz WVVJIBHWGIBXQA-UHFFFAOYSA-N -1 3 293.729 3.462 20 0 CGADHM NC(=O)c1cccc(Nc2c(Cl)ccc([O-])c2F)c1F ZINC001214565029 815425511 /nfs/dbraw/zinc/42/55/11/815425511.db2.gz TZYJHXHARFNLJX-UHFFFAOYSA-N -1 3 298.676 3.166 20 0 CGADHM Cc1ccc([O-])c(C(=O)N[C@H]2C[C@@H](C)c3ccccc32)n1 ZINC001195332266 811242756 /nfs/dbraw/zinc/24/27/56/811242756.db2.gz MUOPDWNGQHDWLT-YGRLFVJLSA-N -1 3 282.343 3.074 20 0 CGADHM CC(=O)c1cccc([O-])c1NC(=O)c1cccnc1C1CC1 ZINC001195564735 811266065 /nfs/dbraw/zinc/26/60/65/811266065.db2.gz HYRDDUGEZMZDCX-UHFFFAOYSA-N -1 3 296.326 3.120 20 0 CGADHM CC(C)n1ccnc1C(=O)Nc1cc([O-])cc(Cl)c1 ZINC001199412407 811576005 /nfs/dbraw/zinc/57/60/05/811576005.db2.gz XJERMNOYDLPDHS-UHFFFAOYSA-N -1 3 279.727 3.075 20 0 CGADHM CCCCCNC(=S)Nc1c([O-])cccc1C(C)=O ZINC001200056690 811631897 /nfs/dbraw/zinc/63/18/97/811631897.db2.gz MJUBMBWLVDAKAX-UHFFFAOYSA-N -1 3 280.393 3.071 20 0 CGADHM COc1cc(C)cc(-c2noc(-c3ccccc3[O-])n2)c1 ZINC001215141820 815488098 /nfs/dbraw/zinc/48/80/98/815488098.db2.gz AOZOUNIABNGFFM-UHFFFAOYSA-N -1 3 282.299 3.426 20 0 CGADHM [O-]c1cccc(Nc2cnn(C(F)F)c2)c1Cl ZINC001201742725 811954460 /nfs/dbraw/zinc/95/44/60/811954460.db2.gz YTYAJZJMUGOYDE-UHFFFAOYSA-N -1 3 259.643 3.381 20 0 CGADHM Cc1ncc(Nc2c(F)ccc(OC(C)C)c2F)c(=O)[n-]1 ZINC001215174520 815491823 /nfs/dbraw/zinc/49/18/23/815491823.db2.gz JLIZDACMTOTIMY-UHFFFAOYSA-N -1 3 295.289 3.300 20 0 CGADHM Cc1cc(C)cc(NC(=O)Nc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC001202835640 812183396 /nfs/dbraw/zinc/18/33/96/812183396.db2.gz LRNMCCCXBNTZDQ-UHFFFAOYSA-N -1 3 298.346 3.320 20 0 CGADHM CN(C)Cc1ccccc1Nc1ccc(C(=O)[O-])cc1F ZINC001203292373 812296358 /nfs/dbraw/zinc/29/63/58/812296358.db2.gz MSXMOBHSBRYHNU-UHFFFAOYSA-N -1 3 288.322 3.329 20 0 CGADHM Cc1cnc([N-]c2c(F)cc(C3OCCO3)cc2F)o1 ZINC001215429042 815519000 /nfs/dbraw/zinc/51/90/00/815519000.db2.gz PJDYYSUAHCEEBM-UHFFFAOYSA-N -1 3 282.246 3.050 20 0 CGADHM O=c1[nH]cc(Cl)cc1Nc1cc(F)c([O-])cc1F ZINC001215572213 815537127 /nfs/dbraw/zinc/53/71/27/815537127.db2.gz QLXSNYJIRDYLQX-UHFFFAOYSA-N -1 3 272.638 3.168 20 0 CGADHM [O-]c1cc(F)c(Nc2ccnn2C2CCC2)cc1F ZINC001215572705 815538774 /nfs/dbraw/zinc/53/87/74/815538774.db2.gz QYSRTUHWEBNWLQ-UHFFFAOYSA-N -1 3 265.263 3.336 20 0 CGADHM Cc1ccc(-c2cncc(C3CC3)c2)cc1-c1nnn[n-]1 ZINC001204598281 812685821 /nfs/dbraw/zinc/68/58/21/812685821.db2.gz TZDHIYJXDAANBI-UHFFFAOYSA-N -1 3 277.331 3.115 20 0 CGADHM Cc1ccc(-c2cncc(C3CC3)c2)cc1-c1nn[n-]n1 ZINC001204598281 812685826 /nfs/dbraw/zinc/68/58/26/812685826.db2.gz TZDHIYJXDAANBI-UHFFFAOYSA-N -1 3 277.331 3.115 20 0 CGADHM CCc1cc(Nc2ccc(C(=O)[O-])c(C)c2Cl)ccn1 ZINC001215691379 815559207 /nfs/dbraw/zinc/55/92/07/815559207.db2.gz HBALSTUQRCKWPC-UHFFFAOYSA-N -1 3 290.750 3.470 20 0 CGADHM Cc1nnc([N-]c2cccc(CN3CCCCC3)c2F)o1 ZINC001215676267 815557519 /nfs/dbraw/zinc/55/75/19/815557519.db2.gz SOOASSVOZOEPDI-UHFFFAOYSA-N -1 3 290.342 3.247 20 0 CGADHM CCn1nccc1Nc1cccc([O-])c1Br ZINC001205331358 812958940 /nfs/dbraw/zinc/95/89/40/812958940.db2.gz UNBHVVABPWHLMU-UHFFFAOYSA-N -1 3 282.141 3.115 20 0 CGADHM CSc1cc(-c2ccc([O-])cc2F)nc(C)n1 ZINC001206030458 813173277 /nfs/dbraw/zinc/17/32/77/813173277.db2.gz XRRCUEZSXRFCBZ-UHFFFAOYSA-N -1 3 250.298 3.019 20 0 CGADHM Cc1[nH]c2c(ncnc2-c2ccc([O-])cc2F)c1C ZINC001206038360 813177270 /nfs/dbraw/zinc/17/72/70/813177270.db2.gz WLXQYMSEOGBVEC-UHFFFAOYSA-N -1 3 257.268 3.086 20 0 CGADHM COC(=O)c1ccc(C)cc1-c1ccc([O-])cc1F ZINC001206050898 813181532 /nfs/dbraw/zinc/18/15/32/813181532.db2.gz AMOAUQVSOKHDLS-UHFFFAOYSA-N -1 3 260.264 3.293 20 0 CGADHM CCOC(=O)c1ccccc1-c1ccc([O-])cc1F ZINC001206064988 813188533 /nfs/dbraw/zinc/18/85/33/813188533.db2.gz XVGRHCSPXWQZSZ-UHFFFAOYSA-N -1 3 260.264 3.375 20 0 CGADHM CCOC[C@@H]1CCCCN1Cc1ccc([O-])c(F)c1F ZINC001206240450 813251212 /nfs/dbraw/zinc/25/12/12/813251212.db2.gz ZKMLZZXQVKUEIP-LBPRGKRZSA-N -1 3 285.334 3.061 20 0 CGADHM COCc1cc(C)c(-c2ccc(=S)[n-]n2)c(C)c1 ZINC001206312132 813285724 /nfs/dbraw/zinc/28/57/24/813285724.db2.gz WFNJQQFMDRBLSG-UHFFFAOYSA-N -1 3 260.362 3.196 20 0 CGADHM c1cc2cc(-c3cccc(-c4nnn[n-]4)c3)cnc2s1 ZINC001242680236 823098674 /nfs/dbraw/zinc/09/86/74/823098674.db2.gz OGRZFCYDOJHDGN-UHFFFAOYSA-N -1 3 279.328 3.143 20 0 CGADHM c1cc2cc(-c3cccc(-c4nn[n-]n4)c3)cnc2s1 ZINC001242680236 823098675 /nfs/dbraw/zinc/09/86/75/823098675.db2.gz OGRZFCYDOJHDGN-UHFFFAOYSA-N -1 3 279.328 3.143 20 0 CGADHM Cc1cc(Nc2ccc([O-])c(F)c2F)ccc1O ZINC001209976832 814227849 /nfs/dbraw/zinc/22/78/49/814227849.db2.gz WISVRBUVYKSPGL-UHFFFAOYSA-N -1 3 251.232 3.428 20 0 CGADHM Cc1cc(Nc2ncc(F)cc2[O-])ccc1N(C)C ZINC001210042462 814260079 /nfs/dbraw/zinc/26/00/79/814260079.db2.gz FNXYNUZHPBBUHS-UHFFFAOYSA-N -1 3 261.300 3.044 20 0 CGADHM COc1ncnc(Cl)c1Nc1cccc(Cl)c1[O-] ZINC001210215809 814345301 /nfs/dbraw/zinc/34/53/01/814345301.db2.gz NMYNQMQWBWQEBA-UHFFFAOYSA-N -1 3 286.118 3.241 20 0 CGADHM [O-]c1c(Cl)cccc1Nc1ccc(Cl)nn1 ZINC001210216830 814347347 /nfs/dbraw/zinc/34/73/47/814347347.db2.gz PQCLZXRKLWXMIJ-UHFFFAOYSA-N -1 3 256.092 3.233 20 0 CGADHM [O-]c1c(Cl)cccc1Nc1ccc(O)cc1O ZINC001210220349 814349178 /nfs/dbraw/zinc/34/91/78/814349178.db2.gz SLGIGPYNOCGTOM-UHFFFAOYSA-N -1 3 251.669 3.200 20 0 CGADHM O=c1[nH]cnc2ccc(Nc3cccc(Cl)c3[O-])cc12 ZINC001210222081 814349323 /nfs/dbraw/zinc/34/93/23/814349323.db2.gz MXBCVGYOIHTRJG-UHFFFAOYSA-N -1 3 287.706 3.438 20 0 CGADHM CC(C)n1cc(Nc2ncc(Br)cc2[O-])cn1 ZINC001210318044 814402755 /nfs/dbraw/zinc/40/27/55/814402755.db2.gz MWBXQCLWNROZGR-UHFFFAOYSA-N -1 3 297.156 3.071 20 0 CGADHM CSc1cccc(F)c1Nc1cc(=O)[n-]c(C)n1 ZINC001215822969 815605324 /nfs/dbraw/zinc/60/53/24/815605324.db2.gz JJNLQOJNURNNIM-UHFFFAOYSA-N -1 3 265.313 3.095 20 0 CGADHM C[C@@H](O)c1ccc(Nc2ncc(Cl)cc2[O-])cc1 ZINC001210639870 814565925 /nfs/dbraw/zinc/56/59/25/814565925.db2.gz AXMLCJNOIZSECV-MRVPVSSYSA-N -1 3 264.712 3.238 20 0 CGADHM [O-]c1cc(-c2ncc3ncsc3n2)cc(C(F)(F)F)c1 ZINC001242780476 823131276 /nfs/dbraw/zinc/13/12/76/823131276.db2.gz MOLVESLPMNVCJE-UHFFFAOYSA-N -1 3 297.261 3.478 20 0 CGADHM Nc1ccccc1-c1ccn(-c2cccc([O-])c2Cl)n1 ZINC001210860209 814655024 /nfs/dbraw/zinc/65/50/24/814655024.db2.gz QEHUWYXZKUCYSA-UHFFFAOYSA-N -1 3 285.734 3.481 20 0 CGADHM Nc1ccc(C(F)(F)F)cc1[N-]c1nonc1C1CC1 ZINC001211149881 814837835 /nfs/dbraw/zinc/83/78/35/814837835.db2.gz AWZMLEBRDPSGJW-UHFFFAOYSA-N -1 3 284.241 3.292 20 0 CGADHM Fc1cc(-c2nnn[n-]2)cc(-c2cccc(OC3CC3)c2)c1 ZINC001242806087 823140160 /nfs/dbraw/zinc/14/01/60/823140160.db2.gz WMTLVSFHIUDTKP-UHFFFAOYSA-N -1 3 296.305 3.214 20 0 CGADHM Fc1cc(-c2nn[n-]n2)cc(-c2cccc(OC3CC3)c2)c1 ZINC001242806087 823140161 /nfs/dbraw/zinc/14/01/61/823140161.db2.gz WMTLVSFHIUDTKP-UHFFFAOYSA-N -1 3 296.305 3.214 20 0 CGADHM Cc1ccc(Nc2cnc(C)[n-]c2=O)c(OC(C)C)c1 ZINC001215879438 815621817 /nfs/dbraw/zinc/62/18/17/815621817.db2.gz OMSUSMFWRJYJLV-UHFFFAOYSA-N -1 3 273.336 3.330 20 0 CGADHM CSc1ncc(Nc2cnc(C)[n-]c2=O)cc1Cl ZINC001216028463 815665181 /nfs/dbraw/zinc/66/51/81/815665181.db2.gz VLHJRQLFNLOHGA-UHFFFAOYSA-N -1 3 282.756 3.005 20 0 CGADHM CC(=O)c1ccncc1Nc1cc(C)c(F)c([O-])c1 ZINC001216079185 815684511 /nfs/dbraw/zinc/68/45/11/815684511.db2.gz RDBWYBLAEFXDCK-UHFFFAOYSA-N -1 3 260.268 3.181 20 0 CGADHM NCc1cccc(-c2cc(Cl)c([O-])c(Cl)c2)n1 ZINC001242849185 823152308 /nfs/dbraw/zinc/15/23/08/823152308.db2.gz NBGNVRIBLVARQA-UHFFFAOYSA-N -1 3 269.131 3.220 20 0 CGADHM OCc1cc(Cl)c([N-]c2cnns2)c(Cl)c1 ZINC001216364935 815798731 /nfs/dbraw/zinc/79/87/31/815798731.db2.gz SQEKNPQHBGGQPL-UHFFFAOYSA-N -1 3 276.148 3.081 20 0 CGADHM Cc1cccc([O-])c1-c1nc(-c2ccc(F)c(C)n2)no1 ZINC001216540539 815853233 /nfs/dbraw/zinc/85/32/33/815853233.db2.gz WEESXRHZGQIWCC-UHFFFAOYSA-N -1 3 285.278 3.260 20 0 CGADHM CCCOc1ccc(Nc2ncc(Cl)cc2[O-])cn1 ZINC001216585912 815865221 /nfs/dbraw/zinc/86/52/21/815865221.db2.gz VAHLCURPJBZRLW-UHFFFAOYSA-N -1 3 279.727 3.368 20 0 CGADHM Nc1cccc(NC(=O)c2c([O-])cc3ccccc3c2O)c1 ZINC001218828872 816254001 /nfs/dbraw/zinc/25/40/01/816254001.db2.gz OEUQTLKLDBMHHB-UHFFFAOYSA-N -1 3 294.310 3.086 20 0 CGADHM FC(F)(F)c1cc(-c2cnn3ccccc23)nc(=S)[n-]1 ZINC001242964779 823192456 /nfs/dbraw/zinc/19/24/56/823192456.db2.gz NSWLJSGOEDTDOB-UHFFFAOYSA-N -1 3 296.277 3.099 20 0 CGADHM COc1c(F)c(C)ccc1-c1ccc(-c2nnn[n-]2)cc1C ZINC001222326752 816409815 /nfs/dbraw/zinc/40/98/15/816409815.db2.gz FLYRFPDPLQZXHA-UHFFFAOYSA-N -1 3 298.321 3.298 20 0 CGADHM COc1c(F)c(C)ccc1-c1ccc(-c2nn[n-]n2)cc1C ZINC001222326752 816409818 /nfs/dbraw/zinc/40/98/18/816409818.db2.gz FLYRFPDPLQZXHA-UHFFFAOYSA-N -1 3 298.321 3.298 20 0 CGADHM Fc1cc(-c2nnn[n-]2)cc(-c2ccccc2Cl)c1 ZINC001222445658 816447094 /nfs/dbraw/zinc/44/70/94/816447094.db2.gz QUNADCYLZDBTRO-UHFFFAOYSA-N -1 3 274.686 3.326 20 0 CGADHM Fc1cc(-c2nn[n-]n2)cc(-c2ccccc2Cl)c1 ZINC001222445658 816447099 /nfs/dbraw/zinc/44/70/99/816447099.db2.gz QUNADCYLZDBTRO-UHFFFAOYSA-N -1 3 274.686 3.326 20 0 CGADHM [O-]c1cc(-c2cnc3cc(F)ccc3n2)ccc1F ZINC001243047256 823224572 /nfs/dbraw/zinc/22/45/72/823224572.db2.gz DPFMQHOADQFRRQ-UHFFFAOYSA-N -1 3 258.227 3.281 20 0 CGADHM COC(=O)c1cccc(-c2ccc(F)c([O-])c2)c1C ZINC001243047471 823225071 /nfs/dbraw/zinc/22/50/71/823225071.db2.gz DIHKWJDNNAWXQP-UHFFFAOYSA-N -1 3 260.264 3.293 20 0 CGADHM [O-]c1cc(-c2ccc3ncc(F)cc3n2)ccc1F ZINC001243049237 823226729 /nfs/dbraw/zinc/22/67/29/823226729.db2.gz SMAQCJBRMGICHS-UHFFFAOYSA-N -1 3 258.227 3.281 20 0 CGADHM CSc1ncc2ccc(-c3ccc(F)c([O-])c3)nc2n1 ZINC001243051075 823227302 /nfs/dbraw/zinc/22/73/02/823227302.db2.gz ZTORLLNXBOCYNH-UHFFFAOYSA-N -1 3 287.319 3.258 20 0 CGADHM CC1(C)Cc2cccc(-c3ccc(F)c([O-])c3)c2C(=O)N1 ZINC001243051025 823227594 /nfs/dbraw/zinc/22/75/94/823227594.db2.gz MNQAPSSIZGSLPU-UHFFFAOYSA-N -1 3 285.318 3.263 20 0 CGADHM [O-]c1cc(-c2nc(C3CC3)nc3c2CCC3)ccc1F ZINC001243050762 823227626 /nfs/dbraw/zinc/22/76/26/823227626.db2.gz SIVQKKOHBVDTQU-UHFFFAOYSA-N -1 3 270.307 3.354 20 0 CGADHM COc1ccc2c(c1)ncnc2-c1ccc(F)c([O-])c1 ZINC001243053797 823229228 /nfs/dbraw/zinc/22/92/28/823229228.db2.gz GEGGZNLFQNVZEG-UHFFFAOYSA-N -1 3 270.263 3.150 20 0 CGADHM [O-]c1coc2cc(O[C@@H]3CCCc4cccnc43)ccc12 ZINC001225339960 817017070 /nfs/dbraw/zinc/01/70/70/817017070.db2.gz XSVLSTIRARICMO-OAHLLOKOSA-N -1 3 281.311 3.113 20 0 CGADHM Cc1cccc(OC[C@H](C)Oc2ccc3c([O-])coc3c2)c1 ZINC001225340195 817018361 /nfs/dbraw/zinc/01/83/61/817018361.db2.gz FRZCYILIUNFSKN-ZDUSSCGKSA-N -1 3 298.338 3.416 20 0 CGADHM CC(C)[C@@H](Oc1ccc2c([O-])coc2c1)C(F)(F)F ZINC001225343111 817019593 /nfs/dbraw/zinc/01/95/93/817019593.db2.gz PRSQKFABHFVJJM-GFCCVEGCSA-N -1 3 274.238 3.227 20 0 CGADHM Cc1cnc(=S)[n-]c1O[C@@H](C)c1ccc(F)cc1 ZINC001225740382 817162926 /nfs/dbraw/zinc/16/29/26/817162926.db2.gz DUFAXSJRBWQSAA-VIFPVBQESA-N -1 3 264.325 3.353 20 0 CGADHM Cc1cccc2c1CC[C@H]2Oc1[n-]c(=S)ncc1C ZINC001225742591 817163722 /nfs/dbraw/zinc/16/37/22/817163722.db2.gz NAUCHKZBQYQXJO-CYBMUJFWSA-N -1 3 272.373 3.448 20 0 CGADHM CC(=O)c1ccc([O-])c(O[C@@H]2C[C@@H]3[C@H](C2)C3(C)C)c1O ZINC001226481763 817372193 /nfs/dbraw/zinc/37/21/93/817372193.db2.gz IRSHVPBGSKTHHC-WLLOZRIZSA-N -1 3 276.332 3.114 20 0 CGADHM Cc1cc(=O)oc2cc([O-])c(O[C@H](C)C(F)(F)F)cc12 ZINC001226536345 817391434 /nfs/dbraw/zinc/39/14/34/817391434.db2.gz VZDUVSAOIBGMEB-SSDOTTSWSA-N -1 3 288.221 3.137 20 0 CGADHM COc1ccc([C@@H](C)Oc2cc(C)nc(=S)[n-]2)cc1 ZINC001226798852 817468426 /nfs/dbraw/zinc/46/84/26/817468426.db2.gz MQGSTILSKBOOJY-SNVBAGLBSA-N -1 3 276.361 3.222 20 0 CGADHM C[C@H](Oc1ccnc(=S)[n-]1)c1cccc(F)c1 ZINC001226935963 817509795 /nfs/dbraw/zinc/50/97/95/817509795.db2.gz FGUHUUZLXLGJLO-QMMMGPOBSA-N -1 3 250.298 3.044 20 0 CGADHM CCOc1ccc([C@@H](C)Oc2ccnc(=S)[n-]2)cc1 ZINC001226939558 817511418 /nfs/dbraw/zinc/51/14/18/817511418.db2.gz IZDZPKMLKUONDX-SNVBAGLBSA-N -1 3 276.361 3.304 20 0 CGADHM C[C@H](Oc1cc(=O)[n-]cn1)c1cccc(C(F)(F)F)c1 ZINC001226944960 817513173 /nfs/dbraw/zinc/51/31/73/817513173.db2.gz LURXXNHRZNESBN-QMMMGPOBSA-N -1 3 284.237 3.341 20 0 CGADHM C[C@@H](Oc1cc(=O)[n-]cn1)c1c(Cl)cncc1Cl ZINC001226944541 817513186 /nfs/dbraw/zinc/51/31/86/817513186.db2.gz GZVJUZLBSGPLCF-ZCFIWIBFSA-N -1 3 286.118 3.024 20 0 CGADHM C[C@H](Oc1cnc[n-]c1=O)c1cccc(Br)c1 ZINC001227051678 817544877 /nfs/dbraw/zinc/54/48/77/817544877.db2.gz NMEJMPKBNJSUPL-QMMMGPOBSA-N -1 3 295.136 3.085 20 0 CGADHM CCc1cnc(=S)[n-]c1OC1CCC(F)(F)CC1 ZINC001227060513 817547050 /nfs/dbraw/zinc/54/70/50/817547050.db2.gz CDAXRSUNUFHOMH-UHFFFAOYSA-N -1 3 274.336 3.284 20 0 CGADHM CCc1cnc(=S)[n-]c1O[C@H](C)c1ccncc1F ZINC001227062372 817547970 /nfs/dbraw/zinc/54/79/70/817547970.db2.gz VHBNBNBUZBZPLH-MRVPVSSYSA-N -1 3 279.340 3.002 20 0 CGADHM CC(C)(C)C1CCC(Oc2ccc(=O)[n-]n2)CC1 ZINC001227094736 817556284 /nfs/dbraw/zinc/55/62/84/817556284.db2.gz JIKNCLYTRJXFCY-UHFFFAOYSA-N -1 3 250.342 3.166 20 0 CGADHM CC[C@H](C[C@@H](C)CC)Oc1nc(C(=O)OC)ccc1[O-] ZINC001227820159 817727243 /nfs/dbraw/zinc/72/72/43/817727243.db2.gz OVTRHKKYZVPXTD-WDEREUQCSA-N -1 3 281.352 3.167 20 0 CGADHM [O-]c1cc(Cl)cnc1O[C@@H]1COCc2ccccc21 ZINC001227981493 817771173 /nfs/dbraw/zinc/77/11/73/817771173.db2.gz WRKQZZNBFRRWDQ-CYBMUJFWSA-N -1 3 277.707 3.091 20 0 CGADHM Cc1cccc2c1[C@@H](Oc1[n-]c(=O)nc3cccnc31)CC2 ZINC001228001403 817779993 /nfs/dbraw/zinc/77/99/93/817779993.db2.gz XPVUIIRVBPNDSG-ZDUSSCGKSA-N -1 3 293.326 3.105 20 0 CGADHM Cc1cc(=O)oc2c1ccc([O-])c2O[C@H]1CC[C@@H](C)C1 ZINC001228621532 817956578 /nfs/dbraw/zinc/95/65/78/817956578.db2.gz BSXYRGIEBCIUNN-KOLCDFICSA-N -1 3 274.316 3.374 20 0 CGADHM C[C@@H]1C[C@@H](Oc2n[n-]c(-c3ccncc3)n2)CC(C)(C)C1 ZINC001228698076 817976641 /nfs/dbraw/zinc/97/66/41/817976641.db2.gz SFWIVLONHUQJLL-DGCLKSJQSA-N -1 3 286.379 3.460 20 0 CGADHM Cc1ccc2c(c1)[C@@H](Oc1n[n-]c(-c3ccncc3)n1)CC2 ZINC001228696607 817977039 /nfs/dbraw/zinc/97/70/39/817977039.db2.gz AXRFMWJEORIGET-HNNXBMFYSA-N -1 3 292.342 3.241 20 0 CGADHM C[C@@H](Oc1n[n-]c(-c2ccncc2)n1)c1cccs1 ZINC001228697273 817977770 /nfs/dbraw/zinc/97/77/70/817977770.db2.gz ITZMBTQQCFULEP-SECBINFHSA-N -1 3 272.333 3.068 20 0 CGADHM CCC[C@H](Oc1n[n-]c(-c2ccncc2)n1)[C@H](C)CC ZINC001228698674 817978797 /nfs/dbraw/zinc/97/87/97/817978797.db2.gz ZUKVHWSPIGSGIA-YPMHNXCESA-N -1 3 274.368 3.460 20 0 CGADHM [O-]c1ccc(CN2C[C@@H]3C[C@H]2C[C@@H]3F)cc1C(F)(F)F ZINC001231526681 818120213 /nfs/dbraw/zinc/12/02/13/818120213.db2.gz RVIQJHONKLGSLN-NHCYSSNCSA-N -1 3 289.272 3.343 20 0 CGADHM [O-]c1cccc(CN2CCC(n3cccn3)CC2)c1Cl ZINC001232789052 818440978 /nfs/dbraw/zinc/44/09/78/818440978.db2.gz STNZEGKUHKOZGG-UHFFFAOYSA-N -1 3 291.782 3.079 20 0 CGADHM CC1(C)CN(Cc2cc(Cl)ncc2[O-])CCC1(F)F ZINC001233032843 818504362 /nfs/dbraw/zinc/50/43/62/818504362.db2.gz UKUNABNBTDKTKN-UHFFFAOYSA-N -1 3 290.741 3.308 20 0 CGADHM C[C@@H]1CCCN(Cc2cc(Cl)ncc2[O-])CC1 ZINC001233033050 818504973 /nfs/dbraw/zinc/50/49/73/818504973.db2.gz YJLAKUMXCQNUIZ-SNVBAGLBSA-N -1 3 254.761 3.063 20 0 CGADHM [O-]c1cccc(CN2CCc3cc(F)c(F)cc3C2)c1F ZINC001233055023 818512933 /nfs/dbraw/zinc/51/29/33/818512933.db2.gz JUJIDTKWXFWNAU-UHFFFAOYSA-N -1 3 293.288 3.368 20 0 CGADHM CN(CCC(=O)c1cccs1)Cc1cccc([O-])c1F ZINC001233054478 818513190 /nfs/dbraw/zinc/51/31/90/818513190.db2.gz NYXCVMHDBBPZFS-UHFFFAOYSA-N -1 3 293.363 3.298 20 0 CGADHM CN1CCN(Cc2ccc([S-])cc2)C[C@H]1c1ccccc1 ZINC001233261221 818558572 /nfs/dbraw/zinc/55/85/72/818558572.db2.gz HLAHYOYPFIVLPF-SFHVURJKSA-N -1 3 298.455 3.464 20 0 CGADHM Cc1ccc(CN(C)Cc2ccc([S-])cc2)cn1 ZINC001233262631 818560353 /nfs/dbraw/zinc/56/03/53/818560353.db2.gz ONHRNYWLAXMBEE-UHFFFAOYSA-N -1 3 258.390 3.311 20 0 CGADHM COc1ccc(CN2CCCC[C@@H](F)C2)c(Cl)c1[O-] ZINC001233397594 818610656 /nfs/dbraw/zinc/61/06/56/818610656.db2.gz FYXWMGFBCWECMS-LLVKDONJSA-N -1 3 287.762 3.378 20 0 CGADHM CO[C@@H](C)CO[C@@H](C)COc1cc(Cl)c([O-])cc1C ZINC001233596279 818653755 /nfs/dbraw/zinc/65/37/55/818653755.db2.gz XDBWSRRNHMERAZ-QWRGUYRKSA-N -1 3 288.771 3.173 20 0 CGADHM C[C@H]1C[C@H](Oc2ccc3occ([O-])c3c2)C[C@@H](C)C1 ZINC001233677066 818677473 /nfs/dbraw/zinc/67/74/73/818677473.db2.gz DWFOEVBKAMVSQG-PJXYFTJBSA-N -1 3 260.333 3.465 20 0 CGADHM CC(C)[C@H](Oc1ccc2occ([O-])c2c1)C(F)(F)F ZINC001233678508 818678705 /nfs/dbraw/zinc/67/87/05/818678705.db2.gz USKOTKUSBCIUOT-LBPRGKRZSA-N -1 3 274.238 3.227 20 0 CGADHM CC(C)[C@H](Oc1cccc([O-])c1C(N)=O)c1ccccc1 ZINC001234149511 818792112 /nfs/dbraw/zinc/79/21/12/818792112.db2.gz PBXBUEJZPVREKF-INIZCTEOSA-N -1 3 285.343 3.267 20 0 CGADHM COc1cc(CN(C)C)cc(F)c1O[C@H](C)C1=CC=C[CH]1 ZINC001234244194 818815068 /nfs/dbraw/zinc/81/50/68/818815068.db2.gz NFDVGIBAFNSHQG-GFCCVEGCSA-N -1 3 290.358 3.364 20 0 CGADHM CO[C@@H](COc1nc2c(cccc2[O-])[nH]1)c1ccccc1 ZINC001234447912 818858241 /nfs/dbraw/zinc/85/82/41/818858241.db2.gz RABKLVRZQTUBAQ-AWEZNQCLSA-N -1 3 284.315 3.035 20 0 CGADHM CC(C)[C@@H](C)Oc1nc[n-]c(=O)c1-c1ccccc1 ZINC001234692331 818916908 /nfs/dbraw/zinc/91/69/08/818916908.db2.gz NVDLJADQPJCGCC-LLVKDONJSA-N -1 3 258.321 3.273 20 0 CGADHM c1cc2nc(O[C@@H]3COCc4ccccc43)[n-]c2s1 ZINC001234849135 818933563 /nfs/dbraw/zinc/93/35/63/818933563.db2.gz YOFUSEGHIURWFH-GFCCVEGCSA-N -1 3 272.329 3.275 20 0 CGADHM CC(C)C[C@H](Oc1nc2ccsc2[n-]1)C(=O)OC(C)C ZINC001234852461 818934609 /nfs/dbraw/zinc/93/46/09/818934609.db2.gz WNOWOSQYMGEMNL-NSHDSACASA-N -1 3 296.392 3.370 20 0 CGADHM COCOc1ccc(-c2cc([O-])cc(Cl)c2)nc1 ZINC001235899682 819208846 /nfs/dbraw/zinc/20/88/46/819208846.db2.gz JRXUTRCBVDFKIG-UHFFFAOYSA-N -1 3 265.696 3.090 20 0 CGADHM CC(C)Oc1cnc(-c2cc([O-])cc(Cl)c2)cn1 ZINC001235899468 819209441 /nfs/dbraw/zinc/20/94/41/819209441.db2.gz RATMVSDVANMCMF-UHFFFAOYSA-N -1 3 264.712 3.290 20 0 CGADHM [O-]c1cc(Cl)cc(-c2ncc(F)c3nccnc32)c1 ZINC001235900604 819210170 /nfs/dbraw/zinc/21/01/70/819210170.db2.gz YAKBFBMIIWEDJJ-UHFFFAOYSA-N -1 3 275.670 3.190 20 0 CGADHM Fc1cc(-c2ccc(Cl)cc2)ccc1-c1nnn[n-]1 ZINC001236095347 819313916 /nfs/dbraw/zinc/31/39/16/819313916.db2.gz MMNKCVSNVNQJKX-UHFFFAOYSA-N -1 3 274.686 3.326 20 0 CGADHM Fc1cc(-c2ccc(Cl)cc2)ccc1-c1nn[n-]n1 ZINC001236095347 819313921 /nfs/dbraw/zinc/31/39/21/819313921.db2.gz MMNKCVSNVNQJKX-UHFFFAOYSA-N -1 3 274.686 3.326 20 0 CGADHM COc1cncc(-c2ccc3c(c2)[N-]C(=S)C3)c1C ZINC001236393512 819449160 /nfs/dbraw/zinc/44/91/60/819449160.db2.gz ULGJLANTWSZDMD-UHFFFAOYSA-N -1 3 270.357 3.361 20 0 CGADHM [O-]c1cc(CN2CCC[C@H](F)C2)ccc1Br ZINC001236683790 819569816 /nfs/dbraw/zinc/56/98/16/819569816.db2.gz FVPNELHZNKOOPQ-JTQLQIEISA-N -1 3 288.160 3.089 20 0 CGADHM COc1cccc2c1CN(Cc1sc(=O)[n-]c1Cl)C2 ZINC001237168988 819687666 /nfs/dbraw/zinc/68/76/66/819687666.db2.gz LPBDOFXWGKWXKH-UHFFFAOYSA-N -1 3 296.779 3.027 20 0 CGADHM [S-]c1ccoc1CN1CCC[C@H]1c1nccs1 ZINC001237192220 819694778 /nfs/dbraw/zinc/69/47/78/819694778.db2.gz QMNIKWYKAJTJCH-VIFPVBQESA-N -1 3 266.391 3.362 20 0 CGADHM Cc1cc(-c2cccc([O-])c2F)nc(C(F)(F)F)n1 ZINC001243541865 823435952 /nfs/dbraw/zinc/43/59/52/823435952.db2.gz GAZIELZDXZOFIE-UHFFFAOYSA-N -1 3 272.201 3.316 20 0 CGADHM CC1CCN(c2cncc(-c3cccc([O-])c3F)n2)CC1 ZINC001243542973 823436429 /nfs/dbraw/zinc/43/64/29/823436429.db2.gz BAPZFNWOQZRCES-UHFFFAOYSA-N -1 3 287.338 3.225 20 0 CGADHM CCOC(=O)c1ccc(C)c(-c2cccc([O-])c2F)n1 ZINC001243543385 823436638 /nfs/dbraw/zinc/43/66/38/823436638.db2.gz UTIWTSRFQLNXRQ-UHFFFAOYSA-N -1 3 275.279 3.078 20 0 CGADHM [O-]c1cccc(-c2nccnc2C(F)(F)F)c1F ZINC001243543722 823436658 /nfs/dbraw/zinc/43/66/58/823436658.db2.gz IEFWOOLXXYHESO-UHFFFAOYSA-N -1 3 258.174 3.007 20 0 CGADHM [O-]c1c(F)cc(CN2CC[C@H]3OCCC[C@H]3C2)cc1Cl ZINC001237989760 819903602 /nfs/dbraw/zinc/90/36/02/819903602.db2.gz KGEVNGYXJCCTCV-SMDDNHRTSA-N -1 3 299.773 3.186 20 0 CGADHM Cc1ccc2ncnc(-c3cccc([O-])c3F)c2c1 ZINC001243543981 823437290 /nfs/dbraw/zinc/43/72/90/823437290.db2.gz TWAFDDRIUVIDAF-UHFFFAOYSA-N -1 3 254.264 3.450 20 0 CGADHM Cc1nc(-c2ccncc2)cc(-c2cccc([O-])c2F)n1 ZINC001243544549 823437318 /nfs/dbraw/zinc/43/73/18/823437318.db2.gz RMMLXVYQVQQHMC-UHFFFAOYSA-N -1 3 281.290 3.359 20 0 CGADHM Nc1cc(C(F)(F)F)cnc1-c1cccc([O-])c1F ZINC001243544232 823437345 /nfs/dbraw/zinc/43/73/45/823437345.db2.gz OCZOYVNZKUQEBK-UHFFFAOYSA-N -1 3 272.201 3.194 20 0 CGADHM COC(=O)c1cc2cc(-c3cccc([O-])c3F)ccc2[nH]1 ZINC001243544090 823437483 /nfs/dbraw/zinc/43/74/83/823437483.db2.gz AVAVMUIRZAUIRL-UHFFFAOYSA-N -1 3 285.274 3.466 20 0 CGADHM COC(=O)c1cc2cc[nH]c2c(-c2cccc([O-])c2F)c1 ZINC001243546651 823439014 /nfs/dbraw/zinc/43/90/14/823439014.db2.gz BQOSNMGFKKBKNX-UHFFFAOYSA-N -1 3 285.274 3.466 20 0 CGADHM COC(=O)c1cc2ccc(-c3cccc([O-])c3F)cc2n1C ZINC001243546584 823439158 /nfs/dbraw/zinc/43/91/58/823439158.db2.gz JTJCDWYVHHSWEI-UHFFFAOYSA-N -1 3 299.301 3.477 20 0 CGADHM O=c1ccc(-c2cccc([O-])c2F)cn1Cc1ccccc1 ZINC001243547682 823439426 /nfs/dbraw/zinc/43/94/26/823439426.db2.gz UYOLOVLLVRHVBZ-UHFFFAOYSA-N -1 3 295.313 3.408 20 0 CGADHM [O-]c1cccc(-c2ccnc(N3CCCC3)c2)c1F ZINC001243547607 823439435 /nfs/dbraw/zinc/43/94/35/823439435.db2.gz YCVXRJGRCGUCIS-UHFFFAOYSA-N -1 3 258.296 3.194 20 0 CGADHM Cc1cc(C(=O)[O-])ccc1CN1CCC[C@@](C)(F)C1 ZINC001238139607 819940966 /nfs/dbraw/zinc/94/09/66/819940966.db2.gz IEIWQAOKBVFDNU-OAHLLOKOSA-N -1 3 265.328 3.017 20 0 CGADHM [O-]c1cccc(-c2ccnc(-c3cncs3)n2)c1F ZINC001243547621 823439961 /nfs/dbraw/zinc/43/99/61/823439961.db2.gz YSOQFUFEUGRXMY-UHFFFAOYSA-N -1 3 273.292 3.112 20 0 CGADHM CSc1ccc(-c2cc(F)cc(-c3nnn[n-]3)c2)cc1 ZINC001239499556 820349559 /nfs/dbraw/zinc/34/95/59/820349559.db2.gz ZXSWZXLNOBCFIW-UHFFFAOYSA-N -1 3 286.335 3.395 20 0 CGADHM CSc1ccc(-c2cc(F)cc(-c3nn[n-]n3)c2)cc1 ZINC001239499556 820349565 /nfs/dbraw/zinc/34/95/65/820349565.db2.gz ZXSWZXLNOBCFIW-UHFFFAOYSA-N -1 3 286.335 3.395 20 0 CGADHM CCc1ccc(-c2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC001239588170 820436692 /nfs/dbraw/zinc/43/66/92/820436692.db2.gz ACTSHRVYKRHDBR-UHFFFAOYSA-N -1 3 268.295 3.235 20 0 CGADHM CCc1ccc(-c2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC001239588170 820436697 /nfs/dbraw/zinc/43/66/97/820436697.db2.gz ACTSHRVYKRHDBR-UHFFFAOYSA-N -1 3 268.295 3.235 20 0 CGADHM Cc1cc(CO)cc(-c2ccc3c(c2)[N-]C(=S)C3)c1 ZINC001243704943 823495346 /nfs/dbraw/zinc/49/53/46/823495346.db2.gz UMNFBCAPQWKYSD-UHFFFAOYSA-N -1 3 269.369 3.450 20 0 CGADHM Cn1ccc2cc(-c3cc(-c4nnn[n-]4)ccc3F)ccc21 ZINC001239942438 820723694 /nfs/dbraw/zinc/72/36/94/820723694.db2.gz LESYJKDXAZSMNB-UHFFFAOYSA-N -1 3 293.305 3.165 20 0 CGADHM Cn1ccc2cc(-c3cc(-c4nn[n-]n4)ccc3F)ccc21 ZINC001239942438 820723699 /nfs/dbraw/zinc/72/36/99/820723699.db2.gz LESYJKDXAZSMNB-UHFFFAOYSA-N -1 3 293.305 3.165 20 0 CGADHM Fc1ccc(-c2c3cc[nH]c3ccc2F)cc1-c1nnn[n-]1 ZINC001240220073 820897432 /nfs/dbraw/zinc/89/74/32/820897432.db2.gz UZWBNXLWJWGXHY-UHFFFAOYSA-N -1 3 297.268 3.293 20 0 CGADHM Fc1ccc(-c2c3cc[nH]c3ccc2F)cc1-c1nn[n-]n1 ZINC001240220073 820897440 /nfs/dbraw/zinc/89/74/40/820897440.db2.gz UZWBNXLWJWGXHY-UHFFFAOYSA-N -1 3 297.268 3.293 20 0 CGADHM c1cc(-c2ccc(N3CCCC3)cc2)ccc1-c1nnn[n-]1 ZINC001240591044 821173131 /nfs/dbraw/zinc/17/31/31/821173131.db2.gz AZOXORUISDRJKU-UHFFFAOYSA-N -1 3 291.358 3.134 20 0 CGADHM c1cc(-c2ccc(N3CCCC3)cc2)ccc1-c1nn[n-]n1 ZINC001240591044 821173136 /nfs/dbraw/zinc/17/31/36/821173136.db2.gz AZOXORUISDRJKU-UHFFFAOYSA-N -1 3 291.358 3.134 20 0 CGADHM c1cc2c(cccc2-c2ccc(-c3nnn[n-]3)cc2)[nH]1 ZINC001240712013 821267618 /nfs/dbraw/zinc/26/76/18/821267618.db2.gz CLROGQDYNKBXCG-UHFFFAOYSA-N -1 3 261.288 3.015 20 0 CGADHM c1cc2c(cccc2-c2ccc(-c3nn[n-]n3)cc2)[nH]1 ZINC001240712013 821267623 /nfs/dbraw/zinc/26/76/23/821267623.db2.gz CLROGQDYNKBXCG-UHFFFAOYSA-N -1 3 261.288 3.015 20 0 CGADHM CSc1nc(C)cc(-c2ccc([O-])c(F)c2)n1 ZINC001240783563 821322996 /nfs/dbraw/zinc/32/29/96/821322996.db2.gz PJVAHDLFEZZPHS-UHFFFAOYSA-N -1 3 250.298 3.019 20 0 CGADHM COc1ccc2ncnc(-c3ccc([O-])c(F)c3)c2c1 ZINC001240783574 821323377 /nfs/dbraw/zinc/32/33/77/821323377.db2.gz USRGCKIHHVGYJL-UHFFFAOYSA-N -1 3 270.263 3.150 20 0 CGADHM Cc1nc(-c2ccc([O-])c(F)c2)cc(-c2ccccn2)n1 ZINC001240783311 821323509 /nfs/dbraw/zinc/32/35/09/821323509.db2.gz UJRAHLRTQPWHRT-UHFFFAOYSA-N -1 3 281.290 3.359 20 0 CGADHM CC(=O)Nc1ccc(C)c(-c2ccc([O-])c(F)c2)c1 ZINC001240785550 821324628 /nfs/dbraw/zinc/32/46/28/821324628.db2.gz FBWFTKPDJNVSLU-UHFFFAOYSA-N -1 3 259.280 3.465 20 0 CGADHM CCOC(=O)c1cnc(C)c(-c2ccc([O-])c(F)c2)c1 ZINC001240787762 821329255 /nfs/dbraw/zinc/32/92/55/821329255.db2.gz PKZHSZOOVYPDSX-UHFFFAOYSA-N -1 3 275.279 3.078 20 0 CGADHM CC(C)c1nc2[nH]ccc2c(-c2ccccc2[O-])n1 ZINC001241009470 821486306 /nfs/dbraw/zinc/48/63/06/821486306.db2.gz QUZLMPQBXLCRKZ-UHFFFAOYSA-N -1 3 253.305 3.406 20 0 CGADHM COc1c(C)cc(-c2cc(-c3nnn[n-]3)ccc2F)cc1C ZINC001241017984 821494754 /nfs/dbraw/zinc/49/47/54/821494754.db2.gz STMHTMMBEVFKSI-UHFFFAOYSA-N -1 3 298.321 3.298 20 0 CGADHM COc1c(C)cc(-c2cc(-c3nn[n-]n3)ccc2F)cc1C ZINC001241017984 821494762 /nfs/dbraw/zinc/49/47/62/821494762.db2.gz STMHTMMBEVFKSI-UHFFFAOYSA-N -1 3 298.321 3.298 20 0 CGADHM CCN(CC)c1cncc(-c2ccc(C)cc2[O-])n1 ZINC001241035658 821511620 /nfs/dbraw/zinc/51/16/20/821511620.db2.gz CCBNIIZHUQBUHA-UHFFFAOYSA-N -1 3 257.337 3.004 20 0 CGADHM CCOc1ccc(-c2ccc(C)c(-c3nnn[n-]3)c2)cc1F ZINC001241088704 821551608 /nfs/dbraw/zinc/55/16/08/821551608.db2.gz GAMREMXJLZHZAS-UHFFFAOYSA-N -1 3 298.321 3.380 20 0 CGADHM CCOc1ccc(-c2ccc(C)c(-c3nn[n-]n3)c2)cc1F ZINC001241088704 821551611 /nfs/dbraw/zinc/55/16/11/821551611.db2.gz GAMREMXJLZHZAS-UHFFFAOYSA-N -1 3 298.321 3.380 20 0 CGADHM [O-]c1cc(F)cc(-c2cnc3ccc(F)cc3n2)c1 ZINC001241256692 821676955 /nfs/dbraw/zinc/67/69/55/821676955.db2.gz ZZVLGWUPWSIUOB-UHFFFAOYSA-N -1 3 258.227 3.281 20 0 CGADHM CCOC(=O)c1cc(C)cnc1-c1cc([O-])cc(F)c1 ZINC001241256564 821677217 /nfs/dbraw/zinc/67/72/17/821677217.db2.gz XVUSOHFTBMLYTH-UHFFFAOYSA-N -1 3 275.279 3.078 20 0 CGADHM Cc1cc(-c2cc([O-])cc(F)c2)nc(-c2ccccn2)n1 ZINC001241263124 821682354 /nfs/dbraw/zinc/68/23/54/821682354.db2.gz YIPQPHOOOVLTAI-UHFFFAOYSA-N -1 3 281.290 3.359 20 0 CGADHM COC(=O)c1cc(-c2cc([O-])cc(F)c2)ccc1C ZINC001241266401 821685301 /nfs/dbraw/zinc/68/53/01/821685301.db2.gz JADWULRMAYVUID-UHFFFAOYSA-N -1 3 260.264 3.293 20 0 CGADHM COC(=O)c1cc(-c2cc([O-])cc(F)c2)c(F)cc1F ZINC001241266160 821685320 /nfs/dbraw/zinc/68/53/20/821685320.db2.gz GNVYQFQMQJVJGH-UHFFFAOYSA-N -1 3 282.217 3.263 20 0 CGADHM COC(=O)c1cc(F)ccc1-c1cc([O-])cc(F)c1 ZINC001241266070 821685861 /nfs/dbraw/zinc/68/58/61/821685861.db2.gz CLYUXAKUQYGZGK-UHFFFAOYSA-N -1 3 264.227 3.124 20 0 CGADHM [O-]c1cc(F)cc(-c2ccc(N3CCOCC3)c(F)c2)c1 ZINC001241271749 821690122 /nfs/dbraw/zinc/69/01/22/821690122.db2.gz SHQWOSXASYTNBL-UHFFFAOYSA-N -1 3 291.297 3.174 20 0 CGADHM CC(C)S(=O)(=O)c1cccc(-c2cc([O-])cc(F)c2)c1 ZINC001241272058 821691524 /nfs/dbraw/zinc/69/15/24/821691524.db2.gz MJMCDAVPVHPSNQ-UHFFFAOYSA-N -1 3 294.347 3.380 20 0 CGADHM Cc1nc(C(=O)OC(C)C)ccc1-c1cc([O-])cc(F)c1 ZINC001241280462 821698332 /nfs/dbraw/zinc/69/83/32/821698332.db2.gz MNOXJZMOLVVXGN-UHFFFAOYSA-N -1 3 289.306 3.467 20 0 CGADHM CC(C)COc1ncc(-c2cc([O-])cc(F)c2)cn1 ZINC001241280304 821698863 /nfs/dbraw/zinc/69/88/63/821698863.db2.gz JHWVVMDFWMUOQV-UHFFFAOYSA-N -1 3 262.284 3.023 20 0 CGADHM Cc1cc(-c2cc(-c3nnn[n-]3)ccc2F)ccc1F ZINC001241280807 821699746 /nfs/dbraw/zinc/69/97/46/821699746.db2.gz JHKWJZTUZCUZQY-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM Cc1cc(-c2cc(-c3nn[n-]n3)ccc2F)ccc1F ZINC001241280807 821699754 /nfs/dbraw/zinc/69/97/54/821699754.db2.gz JHKWJZTUZCUZQY-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM COc1ncc(-c2c(F)ccc([O-])c2F)c2cc[nH]c21 ZINC001241292400 821709710 /nfs/dbraw/zinc/70/97/10/821709710.db2.gz CPBYQUQOHDGSNP-UHFFFAOYSA-N -1 3 276.242 3.222 20 0 CGADHM O=c1c(-c2c(F)ccc([O-])c2F)cccn1C1CCC1 ZINC001241294344 821712024 /nfs/dbraw/zinc/71/20/24/821712024.db2.gz RIVJLZSAUPIMPP-UHFFFAOYSA-N -1 3 277.270 3.224 20 0 CGADHM CN1Cc2ccc(-c3c(F)ccc([O-])c3F)cc2NC1=O ZINC001241294045 821712667 /nfs/dbraw/zinc/71/26/67/821712667.db2.gz ILOOBPBYBNGNEI-UHFFFAOYSA-N -1 3 290.269 3.315 20 0 CGADHM CCOc1cncc(-c2c(F)ccc([O-])c2F)c1 ZINC001241293747 821712999 /nfs/dbraw/zinc/71/29/99/821712999.db2.gz MYIIHHAGPZDXRX-UHFFFAOYSA-N -1 3 251.232 3.131 20 0 CGADHM CSc1cnccc1-c1c(F)ccc([O-])c1F ZINC001241295435 821713971 /nfs/dbraw/zinc/71/39/71/821713971.db2.gz QUZLEGYSDZGKTQ-UHFFFAOYSA-N -1 3 253.273 3.454 20 0 CGADHM Cc1ccc2ccnc(-c3ccc(-c4nnn[n-]4)cc3)c2c1 ZINC001241441683 821836398 /nfs/dbraw/zinc/83/63/98/821836398.db2.gz SCBRUWUQXUVQSL-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM Cc1ccc2ccnc(-c3ccc(-c4nn[n-]n4)cc3)c2c1 ZINC001241441683 821836403 /nfs/dbraw/zinc/83/64/03/821836403.db2.gz SCBRUWUQXUVQSL-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM Cc1cc(-c2ccc(C)c(-c3nnn[n-]3)c2)cc2c[nH]nc21 ZINC001241516908 821917448 /nfs/dbraw/zinc/91/74/48/821917448.db2.gz AGMAMYDKINNNHB-UHFFFAOYSA-N -1 3 290.330 3.027 20 0 CGADHM Cc1cc(-c2ccc(C)c(-c3nn[n-]n3)c2)cc2c[nH]nc21 ZINC001241516908 821917454 /nfs/dbraw/zinc/91/74/54/821917454.db2.gz AGMAMYDKINNNHB-UHFFFAOYSA-N -1 3 290.330 3.027 20 0 CGADHM Cc1n[nH]c2cc(-c3ccc(-c4nn[n-]n4)cc3C)ccc12 ZINC001241643968 822028456 /nfs/dbraw/zinc/02/84/56/822028456.db2.gz ZYAJEUZHTLKOPR-UHFFFAOYSA-N -1 3 290.330 3.027 20 0 CGADHM CC(C)c1cccc(-c2cncc(-c3nnn[n-]3)c2)c1 ZINC001241739561 822116205 /nfs/dbraw/zinc/11/62/05/822116205.db2.gz JUAAURFBKVQRCD-UHFFFAOYSA-N -1 3 265.320 3.052 20 0 CGADHM CC(C)c1cccc(-c2cncc(-c3nn[n-]n3)c2)c1 ZINC001241739561 822116209 /nfs/dbraw/zinc/11/62/09/822116209.db2.gz JUAAURFBKVQRCD-UHFFFAOYSA-N -1 3 265.320 3.052 20 0 CGADHM COC(=O)c1nc2ccc(-c3cc(C)nc(C)c3)cc2[n-]1 ZINC001241992712 822262237 /nfs/dbraw/zinc/26/22/37/822262237.db2.gz XKYLDUPFJBHTJR-UHFFFAOYSA-N -1 3 281.315 3.028 20 0 CGADHM COC(=O)c1nc2cc(-c3cc(C)nc(C)c3)ccc2[n-]1 ZINC001241992712 822262245 /nfs/dbraw/zinc/26/22/45/822262245.db2.gz XKYLDUPFJBHTJR-UHFFFAOYSA-N -1 3 281.315 3.028 20 0 CGADHM Cc1nc2ccc(-c3ccc([O-])c(C(F)(F)F)c3)cn2n1 ZINC001242158375 822899407 /nfs/dbraw/zinc/89/94/07/822899407.db2.gz VOWGJBVRVBYLFZ-UHFFFAOYSA-N -1 3 293.248 3.429 20 0 CGADHM CC(C)n1ncc(-c2ccc([O-])c(C(F)(F)F)c2)cc1=O ZINC001242167677 822901021 /nfs/dbraw/zinc/90/10/21/822901021.db2.gz AGKHEKHFMCKVHY-UHFFFAOYSA-N -1 3 298.264 3.216 20 0 CGADHM [O-]c1cc(F)ccc1-c1ccc(N2CCOCC2)c(F)c1 ZINC001242218439 822915080 /nfs/dbraw/zinc/91/50/80/822915080.db2.gz DXNXFPKZHAMUFM-UHFFFAOYSA-N -1 3 291.297 3.174 20 0 CGADHM COC(=O)c1cc(-c2ccc(F)cc2[O-])cc2cc[nH]c21 ZINC001242221213 822916710 /nfs/dbraw/zinc/91/67/10/822916710.db2.gz SPJMVWADDBTYDM-UHFFFAOYSA-N -1 3 285.274 3.466 20 0 CGADHM COC(=O)c1cc2c(cccc2-c2ccc(F)cc2[O-])[nH]1 ZINC001242220750 822916977 /nfs/dbraw/zinc/91/69/77/822916977.db2.gz OGXBSGUOBKIQMV-UHFFFAOYSA-N -1 3 285.274 3.466 20 0 CGADHM Cc1ccc(-c2ccc(F)c(F)c2C)cc1-c1nnn[n-]1 ZINC001242308128 822946840 /nfs/dbraw/zinc/94/68/40/822946840.db2.gz XAFBKZCLCFPFJD-UHFFFAOYSA-N -1 3 286.285 3.429 20 0 CGADHM Cc1ccc(-c2ccc(F)c(F)c2C)cc1-c1nn[n-]n1 ZINC001242308128 822946843 /nfs/dbraw/zinc/94/68/43/822946843.db2.gz XAFBKZCLCFPFJD-UHFFFAOYSA-N -1 3 286.285 3.429 20 0 CGADHM COC(=O)c1cc(-c2cccc(F)c2[O-])ccc1F ZINC001242350284 822960622 /nfs/dbraw/zinc/96/06/22/822960622.db2.gz AXRFCDVASPIGBJ-UHFFFAOYSA-N -1 3 264.227 3.124 20 0 CGADHM COC(=O)c1ccc(-c2cccc(F)c2[O-])c(C)c1 ZINC001242351762 822961795 /nfs/dbraw/zinc/96/17/95/822961795.db2.gz RTFCBEJUPMVLMB-UHFFFAOYSA-N -1 3 260.264 3.293 20 0 CGADHM COC(=O)c1ccc(-c2cccc(F)c2[O-])c(C)c1F ZINC001242352518 822962715 /nfs/dbraw/zinc/96/27/15/822962715.db2.gz WTFLOJLECDDTGD-UHFFFAOYSA-N -1 3 278.254 3.432 20 0 CGADHM O=c1cc(-c2cccc(F)c2[O-])ccn1-c1ccccc1 ZINC001242353752 822963119 /nfs/dbraw/zinc/96/31/19/822963119.db2.gz PSHMCENLFAPWEE-UHFFFAOYSA-N -1 3 281.286 3.349 20 0 CGADHM Cc1ccc(-c2cccc3cc[nH]c32)cc1-c1nnn[n-]1 ZINC001242362790 822967712 /nfs/dbraw/zinc/96/77/12/822967712.db2.gz SFAWLUHTZDDANK-UHFFFAOYSA-N -1 3 275.315 3.323 20 0 CGADHM Cc1ccc(-c2cccc3cc[nH]c32)cc1-c1nn[n-]n1 ZINC001242362790 822967714 /nfs/dbraw/zinc/96/77/14/822967714.db2.gz SFAWLUHTZDDANK-UHFFFAOYSA-N -1 3 275.315 3.323 20 0 CGADHM CN(C)Cc1cccc(-c2cccc(Cl)c2[O-])n1 ZINC001242366016 822969065 /nfs/dbraw/zinc/96/90/65/822969065.db2.gz WPUMKNKGGNNOHI-UHFFFAOYSA-N -1 3 262.740 3.169 20 0 CGADHM CCc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2C)c([O-])c1 ZINC001440437160 928095490 /nfs/dbraw/zinc/09/54/90/928095490.db2.gz OEIGXQWILSHRTN-SMDDNHRTSA-N -1 3 261.365 3.263 20 0 CGADHM CC[C@H](Cc1cccc(C)c1)C(=O)[N-]O[C@@H]1CCCCO1 ZINC001442533609 937342614 /nfs/dbraw/zinc/34/26/14/937342614.db2.gz SFDNEOIGDYZYCO-HZPDHXFCSA-N -1 3 291.391 3.138 20 0 CGADHM C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)Nc1cc(Cl)ccc1[O-] ZINC001446530295 937363402 /nfs/dbraw/zinc/36/34/02/937363402.db2.gz WVIHKJRVUVETFI-PXIYARARSA-N -1 3 265.740 3.276 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CC=C(c2ccccc2)C1 ZINC001446743524 937365202 /nfs/dbraw/zinc/36/52/02/937365202.db2.gz RUQBVVVFVGHYCZ-UHFFFAOYSA-N -1 3 279.339 3.240 20 0 CGADHM C[C@]1(CNC(=O)c2ccccc2[O-])CCCc2ccccc21 ZINC001447212461 937367190 /nfs/dbraw/zinc/36/71/90/937367190.db2.gz DPBUWFNZIBMKHM-LJQANCHMSA-N -1 3 295.382 3.416 20 0 CGADHM O=C(N[C@@H]1CCC[C@H](C2CC2)C1)c1ccccc1[O-] ZINC001451801201 937392621 /nfs/dbraw/zinc/39/26/21/937392621.db2.gz IJKNAOXLJVMTGC-QWHCGFSZSA-N -1 3 259.349 3.091 20 0 CGADHM Cc1ccc(C(=O)Nc2nc(CC(C)C)co2)c([O-])c1C ZINC001457104367 937438529 /nfs/dbraw/zinc/43/85/29/937438529.db2.gz TUPNBKAPVXZPFC-UHFFFAOYSA-N -1 3 288.347 3.448 20 0 CGADHM CCCc1ccc(CCCC(=O)Nc2ccncc2[O-])cc1 ZINC001457614184 937444278 /nfs/dbraw/zinc/44/42/78/937444278.db2.gz HXLQTAUWKAXIRP-UHFFFAOYSA-N -1 3 298.386 3.123 20 0 CGADHM CC[C@H](NCc1nc(C)cc(=O)[n-]1)c1ccc(C)c(F)c1 ZINC001459877224 937504591 /nfs/dbraw/zinc/50/45/91/937504591.db2.gz MPAOHDYXRVHJCX-AWEZNQCLSA-N -1 3 289.354 3.179 20 0 CGADHM CCCCC[C@@H](C)Oc1ccc(-c2nnn[n-]2)cc1OC ZINC001229337927 932135794 /nfs/dbraw/zinc/13/57/94/932135794.db2.gz OJYFFYMGRKCOJS-LLVKDONJSA-N -1 3 290.367 3.223 20 0 CGADHM CCCCC[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1OC ZINC001229337927 932135799 /nfs/dbraw/zinc/13/57/99/932135799.db2.gz OJYFFYMGRKCOJS-LLVKDONJSA-N -1 3 290.367 3.223 20 0 CGADHM Cc1csc2[n-]c(=S)nc(OC[C@@H]3CCC=CO3)c12 ZINC001229353336 932138108 /nfs/dbraw/zinc/13/81/08/932138108.db2.gz NRVDYNSNPYOZAZ-VIFPVBQESA-N -1 3 294.401 3.360 20 0 CGADHM C[C@@H](Oc1nc(=S)[n-]c2sccc21)C1CCOCC1 ZINC001229564807 932171858 /nfs/dbraw/zinc/17/18/58/932171858.db2.gz ISVIGORBRQMBAO-MRVPVSSYSA-N -1 3 296.417 3.174 20 0 CGADHM CC[C@H]1CCCC[C@@H]1Oc1ccccc1-c1nnn[n-]1 ZINC001229954728 932509145 /nfs/dbraw/zinc/50/91/45/932509145.db2.gz NYKCBJYLDIXBKI-AAEUAGOBSA-N -1 3 272.352 3.214 20 0 CGADHM CC[C@H]1CCCC[C@@H]1Oc1ccccc1-c1nn[n-]n1 ZINC001229954728 932509151 /nfs/dbraw/zinc/50/91/51/932509151.db2.gz NYKCBJYLDIXBKI-AAEUAGOBSA-N -1 3 272.352 3.214 20 0 CGADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)c1cccs1 ZINC001229957429 932509716 /nfs/dbraw/zinc/50/97/16/932509716.db2.gz KDSBTNIXKDGYDJ-SECBINFHSA-N -1 3 272.333 3.068 20 0 CGADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)c1cccs1 ZINC001229957429 932509723 /nfs/dbraw/zinc/50/97/23/932509723.db2.gz KDSBTNIXKDGYDJ-SECBINFHSA-N -1 3 272.333 3.068 20 0 CGADHM CN(Cc1ccc([O-])c(F)c1)Cc1ccccc1F ZINC001461940989 937607666 /nfs/dbraw/zinc/60/76/66/937607666.db2.gz DHKIHLFKRBUPAV-UHFFFAOYSA-N -1 3 263.287 3.302 20 0 CGADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)CC(C)C)sc1Cl ZINC001309335002 933232346 /nfs/dbraw/zinc/23/23/46/933232346.db2.gz RCUFDCIITJJVAT-VIFPVBQESA-N -1 3 295.857 3.423 20 0 CGADHM CC1(C)CC(C(=O)[N-]O[C@H]2CCCCO2)CC(C)(C)C1 ZINC001464562835 937692332 /nfs/dbraw/zinc/69/23/32/937692332.db2.gz JFNIMPZBGQDCBC-ZDUSSCGKSA-N -1 3 283.412 3.413 20 0 CGADHM Cc1cc2ccc(C(=O)Nc3cccc([O-])c3F)cn2c1 ZINC001466117582 937706598 /nfs/dbraw/zinc/70/65/98/937706598.db2.gz QJMCWSLDRRRREQ-UHFFFAOYSA-N -1 3 284.290 3.345 20 0 CGADHM Cc1cc(O)ccc1CC(=O)Nc1ccc(Cl)cc1[O-] ZINC001466631616 937710921 /nfs/dbraw/zinc/71/09/21/937710921.db2.gz QQBYNWLOGKHWLQ-UHFFFAOYSA-N -1 3 291.734 3.241 20 0 CGADHM CC1=CCN(C(=O)c2cc3sccc3c([O-])c2)CC1 ZINC001466643384 937710967 /nfs/dbraw/zinc/71/09/67/937710967.db2.gz POEGAUWXXKYBBQ-UHFFFAOYSA-N -1 3 273.357 3.399 20 0 CGADHM CCC[C@H](NC(=O)c1cc(F)cc2n[n-]nc21)C(C)(C)C ZINC001468164292 937724901 /nfs/dbraw/zinc/72/49/01/937724901.db2.gz WPSZSRDQCQSAGN-LBPRGKRZSA-N -1 3 292.358 3.042 20 0 CGADHM Cc1ccc(C(=O)Nc2cc([C@@H]3C[C@H]3C)[nH]n2)c([O-])c1C ZINC001469429687 937739190 /nfs/dbraw/zinc/73/91/90/937739190.db2.gz ISWDKBMGGMEKIQ-BXKDBHETSA-N -1 3 285.347 3.108 20 0 CGADHM C[C@H](CC(=O)[N-]Oc1ccc(F)cc1)c1ccco1 ZINC001469936398 937745933 /nfs/dbraw/zinc/74/59/33/937745933.db2.gz AZNSZYWHJAVTKK-SNVBAGLBSA-N -1 3 263.268 3.023 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)Nc1cscc1Cl ZINC001471683830 937768542 /nfs/dbraw/zinc/76/85/42/937768542.db2.gz OBGKWNRWVIDFDM-UHFFFAOYSA-N -1 3 285.727 3.427 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2cnc3[nH]ccc3c2C)c1 ZINC001472020624 937771777 /nfs/dbraw/zinc/77/17/77/937771777.db2.gz XAIDECATZGBDOM-UHFFFAOYSA-N -1 3 281.315 3.089 20 0 CGADHM Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)[N-]OC(C)C ZINC001324501033 934516079 /nfs/dbraw/zinc/51/60/79/934516079.db2.gz OULZXUAQFQVFCL-OLZOCXBDSA-N -1 3 261.365 3.432 20 0 CGADHM C[C@H](CCCC(=O)[O-])NCc1coc(-c2ccccc2)n1 ZINC001324574841 934527384 /nfs/dbraw/zinc/52/73/84/934527384.db2.gz JXTLCXNTIHKPST-GFCCVEGCSA-N -1 3 288.347 3.075 20 0 CGADHM C[C@H](NC(=O)c1c([O-])cccc1O)[C@@H]1CCC[C@@H](C)C1 ZINC001472578316 937778206 /nfs/dbraw/zinc/77/82/06/937778206.db2.gz AMZZWLPPGASRQJ-GRYCIOLGSA-N -1 3 277.364 3.042 20 0 CGADHM [O-]c1cc(F)c(CCNc2ncc(Cl)s2)c(F)c1 ZINC001472886853 937788031 /nfs/dbraw/zinc/78/80/31/937788031.db2.gz XXHPIYYIGSUHCH-UHFFFAOYSA-N -1 3 290.722 3.435 20 0 CGADHM Cc1cc(=O)[n-]c(CS[C@@H]2CCc3ccccc3C2)n1 ZINC001473057816 937791388 /nfs/dbraw/zinc/79/13/88/937791388.db2.gz MBYIWGBXAAFUEG-CQSZACIVSA-N -1 3 286.400 3.281 20 0 CGADHM O=C(OCc1ccccc1C1CC1)c1cncc([O-])c1 ZINC001327712448 935078797 /nfs/dbraw/zinc/07/87/97/935078797.db2.gz YWOSNMUXNLGFQJ-UHFFFAOYSA-N -1 3 269.300 3.022 20 0 CGADHM CC(C)O[N-]C(=O)C1(Cc2ccc(Cl)cc2)CC1 ZINC001328051749 935112690 /nfs/dbraw/zinc/11/26/90/935112690.db2.gz RPTFWKKNIMGOMK-UHFFFAOYSA-N -1 3 267.756 3.119 20 0 CGADHM O=C([N-]c1cscc1Cl)c1ncoc1[C@@H]1CCCO1 ZINC001332401712 935465988 /nfs/dbraw/zinc/46/59/88/935465988.db2.gz KWZZKVNOTXOTOT-VIFPVBQESA-N -1 3 298.751 3.493 20 0 CGADHM CC(C)c1nc(CN[C@]2(C)CCCC[C@@H]2C(=O)[O-])cs1 ZINC001332423639 935468586 /nfs/dbraw/zinc/46/85/86/935468586.db2.gz RESAJHYRJKVCTM-IUODEOHRSA-N -1 3 296.436 3.390 20 0 CGADHM Cc1oc(CN(C)CCCC(C)(F)F)cc1C(=O)[O-] ZINC001332454375 935471072 /nfs/dbraw/zinc/47/10/72/935471072.db2.gz DWXWTKYISJRAIR-UHFFFAOYSA-N -1 3 275.295 3.153 20 0 CGADHM CC(C)(C)O[N-]C(=O)[C@H]1[C@@H]2c3cccc(Cl)c3C[C@H]12 ZINC001335407941 936143880 /nfs/dbraw/zinc/14/38/80/936143880.db2.gz NKYWAMRQTXVSRM-CYZMBNFOSA-N -1 3 279.767 3.072 20 0 CGADHM O=C([N-]c1nncs1)c1cc2c(ccnc2Cl)s1 ZINC001523631234 938040471 /nfs/dbraw/zinc/04/04/71/938040471.db2.gz KEYMKDJSISSZKS-UHFFFAOYSA-N -1 3 296.764 3.054 20 0 CGADHM O=C([N-]c1nocc1C1CC1)c1cc(F)c(F)cc1F ZINC001536867033 938107184 /nfs/dbraw/zinc/10/71/84/938107184.db2.gz ZNUQWAZPMSPYTF-UHFFFAOYSA-N -1 3 282.221 3.222 20 0 CGADHM CCc1ncoc1C(=O)[N-]c1cc(C2(C)CCCC2)on1 ZINC001540234700 938129088 /nfs/dbraw/zinc/12/90/88/938129088.db2.gz SWJBEQBQSGLUGP-UHFFFAOYSA-N -1 3 289.335 3.309 20 0 CGADHM CCO[N-]C(=O)Cc1ccccc1Oc1ccc(C)cc1 ZINC001540568150 938132153 /nfs/dbraw/zinc/13/21/53/938132153.db2.gz PACWDTULDSCOIF-UHFFFAOYSA-N -1 3 285.343 3.398 20 0 CGADHM CC[C@@H](CNC(=O)c1ccccc1[O-])Oc1cccc(C)c1 ZINC001543084303 938137921 /nfs/dbraw/zinc/13/79/21/938137921.db2.gz VZZDKUKMLGRPMO-AWEZNQCLSA-N -1 3 299.370 3.288 20 0 CGADHM CSc1ccc([O-])c(C(=O)NCC2(C)CCCC2)c1 ZINC001543243037 938138325 /nfs/dbraw/zinc/13/83/25/938138325.db2.gz DPYSOYJFYYAEGM-UHFFFAOYSA-N -1 3 279.405 3.424 20 0 CGADHM O=C(Cc1cccc([O-])c1F)NC(C1CCC1)C1CCC1 ZINC001548701507 938151878 /nfs/dbraw/zinc/15/18/78/938151878.db2.gz PXGDEYDWAYYDJP-UHFFFAOYSA-N -1 3 291.366 3.159 20 0 CGADHM COc1cccc([O-])c1C(=O)N1CCCCC2(CCC2)C1 ZINC001551633159 938183171 /nfs/dbraw/zinc/18/31/71/938183171.db2.gz NHVFGPPRPQYGCD-UHFFFAOYSA-N -1 3 289.375 3.197 20 0 CGADHM O=C(c1ccccc1[O-])N1CC[C@H]1C1CCCCC1 ZINC001551767844 938186233 /nfs/dbraw/zinc/18/62/33/938186233.db2.gz OKHDUKSTMRRUNY-AWEZNQCLSA-N -1 3 259.349 3.187 20 0 CGADHM Cc1cccc([O-])c1C(=O)Nc1nc(C(C)C)co1 ZINC001556683535 938204992 /nfs/dbraw/zinc/20/49/92/938204992.db2.gz ICBHPTXLSUDUOA-UHFFFAOYSA-N -1 3 260.293 3.064 20 0 CGADHM Cc1oc(C=O)cc1C(=O)Nc1c([O-])cccc1Cl ZINC001556785150 938205717 /nfs/dbraw/zinc/20/57/17/938205717.db2.gz ODIDGQWRPKWIGX-UHFFFAOYSA-N -1 3 279.679 3.012 20 0 CGADHM COCC1(CNC(=O)c2ccc(C)cc2[O-])CCCCC1 ZINC001556907052 938206455 /nfs/dbraw/zinc/20/64/55/938206455.db2.gz BKSBXYBUCLYNNR-UHFFFAOYSA-N -1 3 291.391 3.027 20 0 CGADHM COc1ccc(C(=O)NCC2C[C@H](C)C[C@@H](C)C2)c([O-])c1 ZINC001557420116 938210102 /nfs/dbraw/zinc/21/01/02/938210102.db2.gz NZISEVICQSHPAT-VXGBXAGGSA-N -1 3 291.391 3.203 20 0 CGADHM CCCCCC[C@H](C)CC(=O)Nc1nnc(OCC)[n-]1 ZINC001558011511 938212813 /nfs/dbraw/zinc/21/28/13/938212813.db2.gz LEYRFZZSGQUHNZ-NSHDSACASA-N -1 3 282.388 3.139 20 0 CGADHM CCCCCC[C@H](C)CC(=O)Nc1n[n-]c(OCC)n1 ZINC001558011511 938212814 /nfs/dbraw/zinc/21/28/14/938212814.db2.gz LEYRFZZSGQUHNZ-NSHDSACASA-N -1 3 282.388 3.139 20 0 CGADHM CCCCCC[C@H](C)CC(=O)Nc1nc(OCC)n[n-]1 ZINC001558011511 938212815 /nfs/dbraw/zinc/21/28/15/938212815.db2.gz LEYRFZZSGQUHNZ-NSHDSACASA-N -1 3 282.388 3.139 20 0 CGADHM CCc1cccc(C(=O)Nc2nc(C3CC3)c(C)o2)c1[O-] ZINC001558605134 938216638 /nfs/dbraw/zinc/21/66/38/938216638.db2.gz IEKXCYBRYRCLHM-UHFFFAOYSA-N -1 3 286.331 3.381 20 0 CGADHM Cc1ccc(-c2nc(NC(=O)C[C@@H]3CC=CCC3)n[n-]2)o1 ZINC001558947908 938218509 /nfs/dbraw/zinc/21/85/09/938218509.db2.gz HKSKUFKXRAZQAR-LLVKDONJSA-N -1 3 286.335 3.058 20 0 CGADHM C[C@@H]1CCCN(Cc2cccc(F)c2Cl)[C@@H]1C(=O)[O-] ZINC000235323012 949855699 /nfs/dbraw/zinc/85/56/99/949855699.db2.gz BVECWBJJYHDRKP-RNCFNFMXSA-N -1 3 285.746 3.164 20 0 CGADHM C[C@H]1CCCN(Cc2cccc(F)c2Cl)[C@@H]1C(=O)[O-] ZINC000235669994 949876307 /nfs/dbraw/zinc/87/63/07/949876307.db2.gz BVECWBJJYHDRKP-ZANVPECISA-N -1 3 285.746 3.164 20 0 CGADHM C[C@H]1C[C@H](C(=O)[O-])CN(Cc2cccc(F)c2Cl)C1 ZINC000399080229 951631817 /nfs/dbraw/zinc/63/18/17/951631817.db2.gz SWGATBKFBRLULV-ONGXEEELSA-N -1 3 285.746 3.022 20 0 CGADHM O=C([O-])[C@H](NCc1ccc(CF)cc1)c1ccc(F)cc1 ZINC001594843970 954113186 /nfs/dbraw/zinc/11/31/86/954113186.db2.gz QKQKIOVENZDHJW-OAHLLOKOSA-N -1 3 291.297 3.211 20 0 CGADHM C[C@@H](c1ccc(F)c(F)c1)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC000086782743 957986194 /nfs/dbraw/zinc/98/61/94/957986194.db2.gz BWHHYKWWXJWNOD-ZUZCIYMTSA-N -1 3 283.318 3.213 20 0 CGADHM CC[C@H](C)[C@H](C)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000087612783 958022640 /nfs/dbraw/zinc/02/26/40/958022640.db2.gz BQORUZFUSTZARP-SLEUVZQESA-N -1 3 261.365 3.105 20 0 CGADHM Cc1cccc2c1CN(Cc1cccc(C(=O)[O-])c1)CC2 ZINC001594413227 958963806 /nfs/dbraw/zinc/96/38/06/958963806.db2.gz YTDLAZBZFAUWKN-UHFFFAOYSA-N -1 3 281.355 3.252 20 0 CGADHM C[C@H](N[C@H]1C[C@H](C(=O)[O-])c2ccccc21)c1cccc(O)c1 ZINC001603242848 972395226 /nfs/dbraw/zinc/39/52/26/972395226.db2.gz MFQGCXSRZWSSJH-GOPGUHFVSA-N -1 3 297.354 3.356 20 0 CGADHM C[C@H](c1ccc(F)c(Cl)c1)N1CC[C@H](C(=O)[O-])[C@@H]1C ZINC000227581903 959959992 /nfs/dbraw/zinc/95/99/92/959959992.db2.gz CSYZPBTZFKFLCX-YWVKMMECSA-N -1 3 285.746 3.335 20 0 CGADHM C[C@@H](NCc1ccsc1C(=O)[O-])c1ccsc1 ZINC000235225897 960401887 /nfs/dbraw/zinc/40/18/87/960401887.db2.gz ULDYWAQIZGGCRF-MRVPVSSYSA-N -1 3 267.375 3.359 20 0 CGADHM CC(C)(C)CSCc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001589130253 960494451 /nfs/dbraw/zinc/49/44/51/960494451.db2.gz AOXOEWRQWQTHMG-UHFFFAOYSA-N -1 3 280.372 3.285 20 0 CGADHM CC(C)(C)CSCc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001589130253 960494464 /nfs/dbraw/zinc/49/44/64/960494464.db2.gz AOXOEWRQWQTHMG-UHFFFAOYSA-N -1 3 280.372 3.285 20 0 CGADHM CC[C@@H](C)[C@@H](C(=O)[O-])N1Cc2ccc(Cl)cc2C1 ZINC001594874293 960521451 /nfs/dbraw/zinc/52/14/51/960521451.db2.gz VGVINGVILRLSMS-RNCFNFMXSA-N -1 3 267.756 3.155 20 0 CGADHM CC[C@H](NCc1csc(C(=O)[O-])c1)c1ccncc1 ZINC001595305208 960528906 /nfs/dbraw/zinc/52/89/06/960528906.db2.gz MSFROOFHOHDHTD-LBPRGKRZSA-N -1 3 276.361 3.082 20 0 CGADHM CC(C)(C)c1ccc(-c2nnn[n-]2)c(O[C@H]2C=CCCC2)n1 ZINC001573881408 962283757 /nfs/dbraw/zinc/28/37/57/962283757.db2.gz DUKJNVJLHCVOFX-NSHDSACASA-N -1 3 299.378 3.047 20 0 CGADHM CC(C)(C)c1ccc(-c2nn[n-]n2)c(O[C@H]2C=CCCC2)n1 ZINC001573881408 962283780 /nfs/dbraw/zinc/28/37/80/962283780.db2.gz DUKJNVJLHCVOFX-NSHDSACASA-N -1 3 299.378 3.047 20 0 CGADHM CCc1cccc(COc2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC001578534064 962597194 /nfs/dbraw/zinc/59/71/94/962597194.db2.gz KJXVYYXQIBPQSI-UHFFFAOYSA-N -1 3 298.321 3.147 20 0 CGADHM CCc1cccc(COc2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC001578534064 962597197 /nfs/dbraw/zinc/59/71/97/962597197.db2.gz KJXVYYXQIBPQSI-UHFFFAOYSA-N -1 3 298.321 3.147 20 0 CGADHM Cc1cc(SC[C@@H]2C[C@H]3C[C@H]3C2)ccc1-c1nnn[n-]1 ZINC001581044989 962750028 /nfs/dbraw/zinc/75/00/28/962750028.db2.gz UYQSDWUXADADMS-ZSBIGDGJSA-N -1 3 286.404 3.313 20 0 CGADHM Cc1cc(SC[C@@H]2C[C@H]3C[C@H]3C2)ccc1-c1nn[n-]n1 ZINC001581044989 962750040 /nfs/dbraw/zinc/75/00/40/962750040.db2.gz UYQSDWUXADADMS-ZSBIGDGJSA-N -1 3 286.404 3.313 20 0 CGADHM CCc1ccc(C(=O)NCc2ccc(C)c(OC)c2)c([O-])c1 ZINC001583327847 962794827 /nfs/dbraw/zinc/79/48/27/962794827.db2.gz 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999577641 /nfs/dbraw/zinc/57/76/41/999577641.db2.gz LUOYEVJBQJSQJI-SNPRPXQTSA-N -1 3 290.407 3.124 20 0 CGADHM C[C@@H]1CCCC[C@H]1OCC(=O)Nc1ccc([O-])cc1F ZINC000124401998 187135854 /nfs/dbraw/zinc/13/58/54/187135854.db2.gz OOAMIUJERRJDMH-QMTHXVAHSA-N -1 3 281.327 3.065 20 0 CGADHM C[C@@H]1CN(C(=O)c2ccccc2[O-])CCc2ccc(F)cc21 ZINC000650911618 398176226 /nfs/dbraw/zinc/17/62/26/398176226.db2.gz RZKFGNPERXOAJD-GFCCVEGCSA-N -1 3 299.345 3.333 20 0 CGADHM C[C@@H]1C[C@@H](C(F)(F)F)CCN1C(=O)c1ccccc1[O-] ZINC000295910672 297220217 /nfs/dbraw/zinc/22/02/17/297220217.db2.gz INVQKMZZBKMXKC-ZJUUUORDSA-N -1 3 287.281 3.195 20 0 CGADHM c1c[nH]c(-c2csc([N-]c3ncnc4ccncc43)n2)c1 ZINC000337530651 214141439 /nfs/dbraw/zinc/14/14/39/214141439.db2.gz UYCVQCKNMKQFHI-UHFFFAOYSA-N -1 3 294.343 3.220 20 0 CGADHM CO[C@H](C)CCC(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000337668223 214205125 /nfs/dbraw/zinc/20/51/25/214205125.db2.gz VUZGNYOXSOZYSY-LLVKDONJSA-N -1 3 279.380 3.443 20 0 CGADHM C[C@@H]1C[C@H](C)CN1C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621878963 349601104 /nfs/dbraw/zinc/60/11/04/349601104.db2.gz GRQGMAJBWJXJTJ-DTWKUNHWSA-N -1 3 287.281 3.282 20 0 CGADHM CC[C@H]1CCCN1C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621852410 349596830 /nfs/dbraw/zinc/59/68/30/349596830.db2.gz ZXHZRBOEAJGHCY-NSHDSACASA-N -1 3 287.281 3.426 20 0 CGADHM CCC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc2n[n-]nc2c1 ZINC000590591589 346853052 /nfs/dbraw/zinc/85/30/52/346853052.db2.gz IRWHFLIHLFVAIG-YPMHNXCESA-N -1 3 286.379 3.047 20 0 CGADHM C[C@@H]1C[C@H](C)N1C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621984723 349617048 /nfs/dbraw/zinc/61/70/48/349617048.db2.gz GSMVZVJEAQVIBY-OCAPTIKFSA-N -1 3 273.254 3.034 20 0 CGADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1CCC[C@H]2C[C@H]21 ZINC000622047393 349623246 /nfs/dbraw/zinc/62/32/46/349623246.db2.gz SBKAEJNEKIFECR-QPUJVOFHSA-N -1 3 285.265 3.036 20 0 CGADHM CCC1(C)CN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000622060415 349624477 /nfs/dbraw/zinc/62/44/77/349624477.db2.gz BHXIQJCGDVOJEG-UHFFFAOYSA-N -1 3 287.281 3.283 20 0 CGADHM CC[C@@H](C)[C@@H]1CCCCN1C(=O)c1ccc(OC)cc1[O-] ZINC000436534903 529406579 /nfs/dbraw/zinc/40/65/79/529406579.db2.gz JAVIWVFLOJYXDG-DOMZBBRYSA-N -1 3 291.391 3.442 20 0 CGADHM O=C(c1cc(F)c[n-]c1=O)N1CCC[C@@H]1CC1CCCC1 ZINC000622130273 349633681 /nfs/dbraw/zinc/63/36/81/349633681.db2.gz CZIFPURJQDPMRQ-CYBMUJFWSA-N -1 3 292.354 3.111 20 0 CGADHM CC[C@@H](C)c1cc(C(=O)Nc2ccc(C)cc2[O-])on1 ZINC000175059528 529429476 /nfs/dbraw/zinc/42/94/76/529429476.db2.gz URQQZQYIZAVMFF-SNVBAGLBSA-N -1 3 274.320 3.454 20 0 CGADHM CC[C@H](N=c1ncnc2[nH][n-]cc1-2)c1ccc(Cl)s1 ZINC000426905256 529455941 /nfs/dbraw/zinc/45/59/41/529455941.db2.gz PXAABCQQEJTKFT-QMMMGPOBSA-N -1 3 293.783 3.005 20 0 CGADHM O=C(Nc1cccc(O)c1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622274156 349666204 /nfs/dbraw/zinc/66/62/04/349666204.db2.gz XFDHEOCBQYEUQV-UHFFFAOYSA-N -1 3 297.232 3.369 20 0 CGADHM CCc1cccc(C(=O)Nc2ccc(F)cc2)c1[O-] ZINC000622273604 349666501 /nfs/dbraw/zinc/66/65/01/349666501.db2.gz VXHUYVRFILYGEB-UHFFFAOYSA-N -1 3 259.280 3.346 20 0 CGADHM Cc1ccc(C(=O)N[C@H](C)C2CCCC2)c([O-])c1C ZINC000622372706 349675859 /nfs/dbraw/zinc/67/58/59/349675859.db2.gz VRUPYWHGBUBHQL-GFCCVEGCSA-N -1 3 261.365 3.318 20 0 CGADHM CCc1ccc([O-])c(C(=O)NCCc2sccc2C)c1 ZINC000622483287 349683177 /nfs/dbraw/zinc/68/31/77/349683177.db2.gz YKCIKDLHAAZMBO-UHFFFAOYSA-N -1 3 289.400 3.297 20 0 CGADHM CC1(C)CCC(CC(=O)Nc2ncccc2[O-])CC1 ZINC000622505266 349683515 /nfs/dbraw/zinc/68/35/15/349683515.db2.gz WVQWTBAEMZRMBT-UHFFFAOYSA-N -1 3 262.353 3.332 20 0 CGADHM COC1(CNC(=O)c2ccc(C(C)C)cc2[O-])CCCC1 ZINC000622623945 349690551 /nfs/dbraw/zinc/69/05/51/349690551.db2.gz QLDBNWODVMTVBS-UHFFFAOYSA-N -1 3 291.391 3.205 20 0 CGADHM CCc1cc(C(=O)N2CC[C@H](C)[C@H]2CC)ccc1[O-] ZINC000436673452 529514650 /nfs/dbraw/zinc/51/46/50/529514650.db2.gz QOFHSPWFSNEDPT-SMDDNHRTSA-N -1 3 261.365 3.215 20 0 CGADHM CCc1ccc(-c2nc(CCc3ccco3)no2)c([O-])c1 ZINC000436862771 529576956 /nfs/dbraw/zinc/57/69/56/529576956.db2.gz PMEFKDWMLIZCRC-UHFFFAOYSA-N -1 3 284.315 3.383 20 0 CGADHM O=C(N=c1cc(-c2cccc(Cl)c2)[n-][nH]1)c1ccccc1 ZINC000622893489 349725669 /nfs/dbraw/zinc/72/56/69/349725669.db2.gz DSJKJEDTYMIUOD-UHFFFAOYSA-N -1 3 297.745 3.404 20 0 CGADHM CCc1ccc(C(=O)N[C@@H](C)Cc2ccc(O)cc2)c([O-])c1 ZINC000436829902 529606274 /nfs/dbraw/zinc/60/62/74/529606274.db2.gz BLSSYQDVQUOKNG-LBPRGKRZSA-N -1 3 299.370 3.021 20 0 CGADHM CCc1ccc(C(=O)N[C@@H](CC)C(F)(F)F)c([O-])c1 ZINC000436833798 529606540 /nfs/dbraw/zinc/60/65/40/529606540.db2.gz ZDOFJJZARWCBOQ-NSHDSACASA-N -1 3 275.270 3.025 20 0 CGADHM CCc1ccc(C(=O)N[C@@H]2CCc3c2cccc3O)c([O-])c1 ZINC000436812188 529607188 /nfs/dbraw/zinc/60/71/88/529607188.db2.gz AIVOHTQQAACXLW-OAHLLOKOSA-N -1 3 297.354 3.078 20 0 CGADHM CCc1ccc(C(=O)N2CCCc3occc3C2)c([O-])c1 ZINC000333102246 529597391 /nfs/dbraw/zinc/59/73/91/529597391.db2.gz VNBXFXSAVJQCDJ-UHFFFAOYSA-N -1 3 285.343 3.136 20 0 CGADHM CCc1cccnc1-c1noc(-c2ccccc2[O-])n1 ZINC000157798256 529617964 /nfs/dbraw/zinc/61/79/64/529617964.db2.gz CHHMRIPWZXMWNB-UHFFFAOYSA-N -1 3 267.288 3.067 20 0 CGADHM CCc1cnc(CNC[C@]2(CC(=O)[O-])CC[C@@H](C)C2)s1 ZINC000417565306 529652362 /nfs/dbraw/zinc/65/23/62/529652362.db2.gz LUDKBPVDMAJAMV-IAQYHMDHSA-N -1 3 296.436 3.076 20 0 CGADHM C[C@H](CC(=O)Nc1cc(Cl)ccc1[O-])n1cccc1 ZINC000591441302 346923218 /nfs/dbraw/zinc/92/32/18/346923218.db2.gz HBKIRNKIMWNYDV-SNVBAGLBSA-N -1 3 278.739 3.437 20 0 CGADHM Cc1noc([N-]C(=O)[C@@H](OC(C)C)c2ccccc2)c1C ZINC000294988305 199287487 /nfs/dbraw/zinc/28/74/87/199287487.db2.gz OINXPQGBWNYSGW-AWEZNQCLSA-N -1 3 288.347 3.396 20 0 CGADHM CCc1ccc([C@@H](NCc2cccc(F)c2)C(=O)[O-])cc1 ZINC000426801122 529712252 /nfs/dbraw/zinc/71/22/52/529712252.db2.gz QDGMZTNUFJONST-MRXNPFEDSA-N -1 3 287.334 3.304 20 0 CGADHM C[C@H](Oc1ccccc1)C(=O)N1CCCc2cccc([O-])c21 ZINC000155570022 136395504 /nfs/dbraw/zinc/39/55/04/136395504.db2.gz QFZJYXLHQFIFNV-ZDUSSCGKSA-N -1 3 297.354 3.139 20 0 CGADHM CC1(C)CCC[C@@](CO)(NCc2cccc([O-])c2Cl)C1 ZINC000623668354 349862041 /nfs/dbraw/zinc/86/20/41/349862041.db2.gz HPXZJECLMKJNTB-MRXNPFEDSA-N -1 3 297.826 3.467 20 0 CGADHM CN(CCCC(=O)[O-])Cc1cc(Cl)cc(Cl)c1 ZINC000083662606 529880158 /nfs/dbraw/zinc/88/01/58/529880158.db2.gz OGIFVJAFTCGZHF-UHFFFAOYSA-N -1 3 276.163 3.290 20 0 CGADHM Cc1ccc2c(c1)[C@H](NC(=O)c1ccc(C)cc1[O-])CC2 ZINC000592661768 347004454 /nfs/dbraw/zinc/00/44/54/347004454.db2.gz CTXSCHQOZAMXBV-MRXNPFEDSA-N -1 3 281.355 3.426 20 0 CGADHM CCN(CCSC)C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000592916202 347020875 /nfs/dbraw/zinc/02/08/75/347020875.db2.gz AFRGLRQXDUOSHA-UHFFFAOYSA-N -1 3 293.432 3.096 20 0 CGADHM CCCC[C@H](C)N(C)C(=O)Cc1ccc([O-])c(F)c1 ZINC000451872814 534968863 /nfs/dbraw/zinc/96/88/63/534968863.db2.gz UIAFYVIBVMVROW-NSHDSACASA-N -1 3 267.344 3.111 20 0 CGADHM CC(C)CC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000007374292 344867712 /nfs/dbraw/zinc/86/77/12/344867712.db2.gz GCHAJZDRJIUUDR-UHFFFAOYSA-N -1 3 296.219 3.318 20 0 CGADHM CCCCCc1nnc([N-]C(=O)c2occc2C)s1 ZINC000025319686 344901975 /nfs/dbraw/zinc/90/19/75/344901975.db2.gz LMXNBASEWPCWLJ-UHFFFAOYSA-N -1 3 279.365 3.425 20 0 CGADHM O=C(NCCCC1CCCC1)c1cc(=O)c2ccccc2[n-]1 ZINC000044633260 345014970 /nfs/dbraw/zinc/01/49/70/345014970.db2.gz KPZIPRGBUGCBDL-UHFFFAOYSA-N -1 3 298.386 3.228 20 0 CGADHM CCCOCc1ccccc1CNC(=O)c1ccccc1[O-] ZINC000046534968 345040866 /nfs/dbraw/zinc/04/08/66/345040866.db2.gz OPVGLAIVQCLRNQ-UHFFFAOYSA-N -1 3 299.370 3.249 20 0 CGADHM CC[C@@H](NC(=O)c1cccc(OC)c1[O-])C1CCCCC1 ZINC000052343734 345102973 /nfs/dbraw/zinc/10/29/73/345102973.db2.gz PHJBRSRRMIILBG-CQSZACIVSA-N -1 3 291.391 3.490 20 0 CGADHM C[C@@H]1CCC[C@@H](CNC(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC000056266481 345161960 /nfs/dbraw/zinc/16/19/60/345161960.db2.gz OERNAFAPMZXZEZ-CHWSQXEVSA-N -1 3 298.386 3.084 20 0 CGADHM CC(C)C[C@@H](C)CC(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000069375164 345379828 /nfs/dbraw/zinc/37/98/28/345379828.db2.gz PAHCTVPYJFMJHH-SNVBAGLBSA-N -1 3 276.340 3.076 20 0 CGADHM CC(C)C[C@@H](C)CC(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000069375164 345379831 /nfs/dbraw/zinc/37/98/31/345379831.db2.gz PAHCTVPYJFMJHH-SNVBAGLBSA-N -1 3 276.340 3.076 20 0 CGADHM CC(C)C[C@@H](C)CC(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000069375164 345379832 /nfs/dbraw/zinc/37/98/32/345379832.db2.gz PAHCTVPYJFMJHH-SNVBAGLBSA-N -1 3 276.340 3.076 20 0 CGADHM CC1(C)CCCN(Cc2ccsc2C(=O)[O-])C1 ZINC000070259309 345390388 /nfs/dbraw/zinc/39/03/88/345390388.db2.gz YAWOAUGVCZFNKK-UHFFFAOYSA-N -1 3 253.367 3.068 20 0 CGADHM CC(C)CN(CCC(=O)[O-])Cc1ccccc1Cl ZINC000071739127 345404823 /nfs/dbraw/zinc/40/48/23/345404823.db2.gz FEUNDGLQWIAUGY-UHFFFAOYSA-N -1 3 269.772 3.273 20 0 CGADHM CCC1(CC)[C@H](N(C)C(=O)c2cccc([O-])c2)C[C@@H]1OC ZINC000182825036 282403672 /nfs/dbraw/zinc/40/36/72/282403672.db2.gz BGRANKZATNSQMT-CABCVRRESA-N -1 3 291.391 3.058 20 0 CGADHM Cc1cccc(CN(C)C(=O)c2ccc(C(C)C)cc2[O-])n1 ZINC000078027115 345589481 /nfs/dbraw/zinc/58/94/81/345589481.db2.gz LHZPBAHWVXTTRD-UHFFFAOYSA-N -1 3 298.386 3.491 20 0 CGADHM CC1CC([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000080815616 345688366 /nfs/dbraw/zinc/68/83/66/345688366.db2.gz ARCPBMNVSIQFJI-UHFFFAOYSA-N -1 3 294.203 3.070 20 0 CGADHM CCc1cccc(C(=O)N(C)CC2CCCC2)c1[O-] ZINC000081958040 345720990 /nfs/dbraw/zinc/72/09/90/345720990.db2.gz VLLMJOOLCGSSEY-UHFFFAOYSA-N -1 3 261.365 3.217 20 0 CGADHM C[C@@H]1CC[C@H](C)N1C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000092599691 345846375 /nfs/dbraw/zinc/84/63/75/345846375.db2.gz MECFZGXLNFKIND-PHIMTYICSA-N -1 3 289.375 3.119 20 0 CGADHM CCc1cccc(C(=O)N2CCC[C@@H]2c2ccncc2)c1[O-] ZINC000093913219 345893023 /nfs/dbraw/zinc/89/30/23/345893023.db2.gz PNJPPNMGTZMIDB-MRXNPFEDSA-N -1 3 296.370 3.327 20 0 CGADHM Cc1ccc(C(=O)N2C[C@H](C)C[C@H](C)[C@@H]2C)c([O-])c1 ZINC000166849790 232263664 /nfs/dbraw/zinc/26/36/64/232263664.db2.gz XVYRRARHFGIVFK-AGIUHOORSA-N -1 3 261.365 3.207 20 0 CGADHM CCc1cccc(C(=O)N2CCC[C@@H]2C2CCC2)c1[O-] ZINC000094105838 345895196 /nfs/dbraw/zinc/89/51/96/345895196.db2.gz JUVHTHBAWKTGMC-OAHLLOKOSA-N -1 3 273.376 3.359 20 0 CGADHM CCc1ccc([O-])c(C(=O)NCCCNc2ccccc2)c1 ZINC000111050775 345947836 /nfs/dbraw/zinc/94/78/36/345947836.db2.gz VCULOQFDMJITJT-UHFFFAOYSA-N -1 3 298.386 3.187 20 0 CGADHM Cc1ccc2c(c1)N(C(=O)c1cccc(C)c1[O-])CC2 ZINC000121996788 346003427 /nfs/dbraw/zinc/00/34/27/346003427.db2.gz YYELXDVCMSMPKD-UHFFFAOYSA-N -1 3 267.328 3.212 20 0 CGADHM Cc1cccc2cc(C(=O)Nc3ncccc3[O-])oc21 ZINC000149612192 346131096 /nfs/dbraw/zinc/13/10/96/346131096.db2.gz FTZXMAJELHASLE-UHFFFAOYSA-N -1 3 268.272 3.094 20 0 CGADHM Cc1sc(C(=O)[O-])cc1CN1C[C@H](C)S[C@@H](C)C1 ZINC000155986325 346157160 /nfs/dbraw/zinc/15/71/60/346157160.db2.gz TUQWRQSDZBHABN-IUCAKERBSA-N -1 3 285.434 3.081 20 0 CGADHM CC[C@@H]1CCCC[C@H]1NC(=O)NCc1ccc([O-])c(F)c1 ZINC000156882349 346160234 /nfs/dbraw/zinc/16/02/34/346160234.db2.gz YGPJXTCCJJGVOA-TZMCWYRMSA-N -1 3 294.370 3.299 20 0 CGADHM CCc1ccc([C@H](NCc2ccc(OC)cc2)C(=O)[O-])cc1 ZINC000211617445 346286131 /nfs/dbraw/zinc/28/61/31/346286131.db2.gz XDYPKKKANAIPEW-KRWDZBQOSA-N -1 3 299.370 3.173 20 0 CGADHM CCc1ccc([C@H](NCc2ccc(C)cc2)C(=O)[O-])cc1 ZINC000211620510 346286192 /nfs/dbraw/zinc/28/61/92/346286192.db2.gz ZUCFYRXUUDOCDG-KRWDZBQOSA-N -1 3 283.371 3.473 20 0 CGADHM CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000221945096 346298382 /nfs/dbraw/zinc/29/83/82/346298382.db2.gz FUDXGWRSPBTVDO-UTLUCORTSA-N -1 3 251.292 3.126 20 0 CGADHM CC(C)[C@@]1(C(=O)[O-])CCN(Cc2ccc(Cl)s2)C1 ZINC000232783233 346328274 /nfs/dbraw/zinc/32/82/74/346328274.db2.gz BEHGFHVPLZQDTL-CYBMUJFWSA-N -1 3 287.812 3.334 20 0 CGADHM C[C@@H]1CC[C@H](C)N(Cc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000235324670 346335404 /nfs/dbraw/zinc/33/54/04/346335404.db2.gz KXPMBVMCGTTZNK-MNOVXSKESA-N -1 3 265.328 3.144 20 0 CGADHM CC[C@@H](c1ccc(F)cc1)N1CCSC[C@H]1CC(=O)[O-] ZINC000251084557 346387448 /nfs/dbraw/zinc/38/74/48/346387448.db2.gz MUQAPLHCHSGSNJ-KGLIPLIRSA-N -1 3 297.395 3.169 20 0 CGADHM Cc1cccc(C)c1OC[C@@H](C)NC(=O)c1ccccc1[O-] ZINC000195645826 232520848 /nfs/dbraw/zinc/52/08/48/232520848.db2.gz MVUXFHSNRXWSPW-CQSZACIVSA-N -1 3 299.370 3.206 20 0 CGADHM Cc1ccc([O-])c(C(=O)NC(C2CCC2)C2CCC2)c1 ZINC000325347933 346491321 /nfs/dbraw/zinc/49/13/21/346491321.db2.gz HAPOXYPZQLXWHP-UHFFFAOYSA-N -1 3 273.376 3.399 20 0 CGADHM F[C@H]1CCC[C@H](c2nc(-c3ccc4n[n-]nc4c3)no2)C1 ZINC000351448699 346538344 /nfs/dbraw/zinc/53/83/44/346538344.db2.gz CTPPLGHQRCDDBG-UWVGGRQHSA-N -1 3 287.298 3.004 20 0 CGADHM COc1cc(Cl)ccc1CN1CC[C@@H](C)C[C@@H]1C(=O)[O-] ZINC000584844569 346718794 /nfs/dbraw/zinc/71/87/94/346718794.db2.gz FAXLCUZWNRZTTC-ZWNOBZJWSA-N -1 3 297.782 3.034 20 0 CGADHM c1ccc2sc(Oc3ccc(-c4nnn[n-]4)cc3)nc2c1 ZINC000584599703 346689011 /nfs/dbraw/zinc/68/90/11/346689011.db2.gz SSWGYSMXYSPUDJ-UHFFFAOYSA-N -1 3 295.327 3.269 20 0 CGADHM c1ccc2sc(Oc3ccc(-c4nn[n-]n4)cc3)nc2c1 ZINC000584599703 346689013 /nfs/dbraw/zinc/68/90/13/346689013.db2.gz SSWGYSMXYSPUDJ-UHFFFAOYSA-N -1 3 295.327 3.269 20 0 CGADHM CC(C)SCCN1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@@H]21 ZINC000594734295 347215036 /nfs/dbraw/zinc/21/50/36/347215036.db2.gz VVAAVKWTRUPRLQ-RDBSUJKOSA-N -1 3 285.453 3.093 20 0 CGADHM O=c1cc(CSCC[C@@H]2CCCCO2)nc(C2CC2)[n-]1 ZINC000596368428 347436031 /nfs/dbraw/zinc/43/60/31/347436031.db2.gz ZOVQTMBGQOMWPZ-ZDUSSCGKSA-N -1 3 294.420 3.252 20 0 CGADHM COc1cc(F)cc(CNCc2cccc([O-])c2Cl)c1 ZINC000339332439 215101372 /nfs/dbraw/zinc/10/13/72/215101372.db2.gz PPRQDABKDSHXFN-UHFFFAOYSA-N -1 3 295.741 3.483 20 0 CGADHM CCO[C@@H](CSCc1cc(=O)[n-]c(C2CC2)n1)C1CC1 ZINC000600633411 347820063 /nfs/dbraw/zinc/82/00/63/347820063.db2.gz QOKSRPOIJLLOEX-ZDUSSCGKSA-N -1 3 294.420 3.108 20 0 CGADHM O=C(Nc1cc(Br)ccc1[O-])C1CC2(CC2)C1 ZINC000613029656 348560668 /nfs/dbraw/zinc/56/06/68/348560668.db2.gz YKPVJDFXJPCHMH-UHFFFAOYSA-N -1 3 296.164 3.283 20 0 CGADHM C[C@@H](CC(=O)Nc1ncccc1[O-])CC(C)(C)C ZINC000613182013 348572586 /nfs/dbraw/zinc/57/25/86/348572586.db2.gz DXDRVSNJBAAQLR-JTQLQIEISA-N -1 3 250.342 3.188 20 0 CGADHM CN(CCN(C)c1ccccc1)Cc1cc([O-])cc(F)c1 ZINC000351988447 219276888 /nfs/dbraw/zinc/27/68/88/219276888.db2.gz HOERKJVSAYZBCG-UHFFFAOYSA-N -1 3 288.366 3.100 20 0 CGADHM CCOC(=O)c1ccc(NC(=O)C(C)(CC)CC)c([O-])c1 ZINC000613517731 348614308 /nfs/dbraw/zinc/61/43/08/348614308.db2.gz BYKJTQOJCPFDKI-UHFFFAOYSA-N -1 3 293.363 3.334 20 0 CGADHM CC(C)(C)c1ccc(NC(=O)Cc2cscn2)c([O-])c1 ZINC000614488127 348680231 /nfs/dbraw/zinc/68/02/31/348680231.db2.gz KFWTTWHMMHZYFE-UHFFFAOYSA-N -1 3 290.388 3.327 20 0 CGADHM CC(=O)c1cccc(NC(=O)[C@H](C)Cc2ccco2)c1[O-] ZINC000614861756 348696950 /nfs/dbraw/zinc/69/69/50/348696950.db2.gz SWNDBLULCZRZPF-SNVBAGLBSA-N -1 3 287.315 3.005 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2[C@@H](C)CCC2(C)C)c1 ZINC000616165291 348792702 /nfs/dbraw/zinc/79/27/02/348792702.db2.gz OLUKGWDDIKNANK-NSHDSACASA-N -1 3 261.365 3.358 20 0 CGADHM CC(C)c1cc(C(=O)Nc2ccc([O-])cc2Cl)nn1C ZINC000616940679 348884726 /nfs/dbraw/zinc/88/47/26/348884726.db2.gz BTQDLEGZLMAPTD-UHFFFAOYSA-N -1 3 293.754 3.155 20 0 CGADHM C[C@@H]1CC[C@H](C(=O)Nc2ccc([O-])cc2Cl)C1 ZINC000616941105 348884939 /nfs/dbraw/zinc/88/49/39/348884939.db2.gz RKLICUOHKSKQOV-BDAKNGLRSA-N -1 3 253.729 3.420 20 0 CGADHM O=C(NC[C@@H]1CCC[C@H]2C[C@H]21)c1cc([O-])ccc1Cl ZINC000618500582 349094202 /nfs/dbraw/zinc/09/42/02/349094202.db2.gz USPBQIYWAJMBMP-JBLDHEPKSA-N -1 3 279.767 3.212 20 0 CGADHM CC(C)c1ccc(C(=O)NC[C@]2(C)CC2(F)F)c([O-])c1 ZINC000618599927 349118403 /nfs/dbraw/zinc/11/84/03/349118403.db2.gz YZUZTICPDHAQFF-AWEZNQCLSA-N -1 3 283.318 3.291 20 0 CGADHM O=c1cc(C=Cc2cccs2)nc(-c2ccncc2)[n-]1 ZINC000352026609 219292883 /nfs/dbraw/zinc/29/28/83/219292883.db2.gz LNCPGAPMQUZBCV-ARJAWSKDSA-N -1 3 281.340 3.064 20 0 CGADHM CCc1ccc([O-])c(C(=O)NCC[C@]2(C)CC2(F)F)c1 ZINC000618633325 349131371 /nfs/dbraw/zinc/13/13/71/349131371.db2.gz ICNQTOUTSGHLTC-CQSZACIVSA-N -1 3 283.318 3.120 20 0 CGADHM CC[C@@H]1CC[C@@H](C)N(C(=O)c2ccc(C(C)=O)c([O-])c2)C1 ZINC000619135473 349211959 /nfs/dbraw/zinc/21/19/59/349211959.db2.gz QOABBMGXPWGNAS-DGCLKSJQSA-N -1 3 289.375 3.246 20 0 CGADHM Cc1cccc(C(=O)NC2CCC3(CC3(F)F)CC2)c1[O-] ZINC000619235561 349225593 /nfs/dbraw/zinc/22/55/93/349225593.db2.gz YFZXQRSSBINGKL-UHFFFAOYSA-N -1 3 295.329 3.398 20 0 CGADHM C[C@@H](NC(=O)c1cccc([O-])c1)C1CCC(F)CC1 ZINC000619965860 349300053 /nfs/dbraw/zinc/30/00/53/349300053.db2.gz XQUXHOMCXVAROY-XSRFYTQQSA-N -1 3 265.328 3.039 20 0 CGADHM CCC(CC)CCCN(C)C(=O)c1cccc2[n-]nnc21 ZINC000620198281 349334783 /nfs/dbraw/zinc/33/47/83/349334783.db2.gz DRHCZINMUPAOKB-UHFFFAOYSA-N -1 3 288.395 3.246 20 0 CGADHM CCC(CC)CCCN(C)C(=O)c1cccc2nn[n-]c21 ZINC000620198281 349334787 /nfs/dbraw/zinc/33/47/87/349334787.db2.gz DRHCZINMUPAOKB-UHFFFAOYSA-N -1 3 288.395 3.246 20 0 CGADHM CCC(CC)CCCN(C)C(=O)c1cccc2n[n-]nc21 ZINC000620198281 349334791 /nfs/dbraw/zinc/33/47/91/349334791.db2.gz DRHCZINMUPAOKB-UHFFFAOYSA-N -1 3 288.395 3.246 20 0 CGADHM C[C@H](CNC(=O)Cc1ccc([O-])c(F)c1)C1CCCCC1 ZINC000620366833 349361321 /nfs/dbraw/zinc/36/13/21/349361321.db2.gz KMCCOZGZYZWTFL-GFCCVEGCSA-N -1 3 293.382 3.406 20 0 CGADHM CC(C)c1csc([N-]C(=O)c2ocnc2C(F)F)n1 ZINC000624528892 350059778 /nfs/dbraw/zinc/05/97/78/350059778.db2.gz UDVUSKDGEITFRH-UHFFFAOYSA-N -1 3 287.291 3.444 20 0 CGADHM Cc1ccc(C(=O)N(C)[C@H](C)c2cccnc2)c([O-])c1C ZINC000271230275 191017005 /nfs/dbraw/zinc/01/70/05/191017005.db2.gz IMTADSBQQJFTSG-CYBMUJFWSA-N -1 3 284.359 3.237 20 0 CGADHM Cc1nnc([C@H](C)NCc2cc([O-])ccc2Cl)s1 ZINC000625323661 350158712 /nfs/dbraw/zinc/15/87/12/350158712.db2.gz CFODFIKZTORSAR-ZETCQYMHSA-N -1 3 283.784 3.056 20 0 CGADHM CC[C@@H]1CCCCCN1C(=O)c1c(C)cccc1[O-] ZINC000625757357 350207789 /nfs/dbraw/zinc/20/77/89/350207789.db2.gz FNTZBMFSKOFTOW-CYBMUJFWSA-N -1 3 261.365 3.495 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1C[C@@H](C)CCC[C@@H]1C ZINC000625797184 350215037 /nfs/dbraw/zinc/21/50/37/350215037.db2.gz RTOAEVWRLABAEC-AAEUAGOBSA-N -1 3 261.365 3.351 20 0 CGADHM C/C=C\C[C@@H]1CCCN(Cc2ccc(C(=O)[O-])o2)C1 ZINC000625971721 350237801 /nfs/dbraw/zinc/23/78/01/350237801.db2.gz WIGPPJFAZOFHEL-ZZKXABKFSA-N -1 3 263.337 3.156 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CC[C@@H](c2ccc(F)cc2)C1 ZINC000626058019 350254003 /nfs/dbraw/zinc/25/40/03/350254003.db2.gz LTRNLDJCAIDUCA-CQSZACIVSA-N -1 3 299.345 3.469 20 0 CGADHM CCc1nc(C)c(NC(=O)c2c(C)cccc2[O-])s1 ZINC000626518189 350316776 /nfs/dbraw/zinc/31/67/76/350316776.db2.gz YZPHPUMSYMYUIB-UHFFFAOYSA-N -1 3 276.361 3.280 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000626726889 350335007 /nfs/dbraw/zinc/33/50/07/350335007.db2.gz LZVIYOHIXYLPTR-NXEZZACHSA-N -1 3 287.281 3.114 20 0 CGADHM Cc1cccc([O-])c1C(=O)NCCC1C[C@H](C)O[C@@H](C)C1 ZINC000626963812 350348823 /nfs/dbraw/zinc/34/88/23/350348823.db2.gz DHTBXUOIXOVSMR-STQMWFEESA-N -1 3 291.391 3.024 20 0 CGADHM O=C([N-]c1cccc(C2CC2)n1)c1ocnc1C(F)F ZINC000627521703 350363521 /nfs/dbraw/zinc/36/35/21/350363521.db2.gz AFKWAPANAHNQIT-UHFFFAOYSA-N -1 3 279.246 3.137 20 0 CGADHM CCCC[C@H](C)N(CCCC)C(=O)c1cc(=O)[n-]cn1 ZINC000627542879 350364728 /nfs/dbraw/zinc/36/47/28/350364728.db2.gz FUEOQSJLKLNXHE-LBPRGKRZSA-N -1 3 279.384 3.003 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2C[C@H](C)C(F)(F)[C@@H](C)C2)c1 ZINC000628387085 350522339 /nfs/dbraw/zinc/52/23/39/350522339.db2.gz LLXPLLJLHRJAHV-QWRGUYRKSA-N -1 3 283.318 3.064 20 0 CGADHM CCc1cccc(C(=O)N2C[C@@H](C)C(F)(F)[C@H](C)C2)c1[O-] ZINC000628397175 350525716 /nfs/dbraw/zinc/52/57/16/350525716.db2.gz VYRGPGXTKLBZKW-GHMZBOCLSA-N -1 3 297.345 3.318 20 0 CGADHM COc1cc(C(=O)N2CC(C)(C)CCC2(C)C)ccc1[O-] ZINC000628532779 350567493 /nfs/dbraw/zinc/56/74/93/350567493.db2.gz ALAYCKDKVLWVIQ-UHFFFAOYSA-N -1 3 291.391 3.442 20 0 CGADHM C[C@H](c1ccc(C(=O)[O-])o1)N1C[C@@H](C)C(F)(F)[C@H](C)C1 ZINC000629364577 350678182 /nfs/dbraw/zinc/67/81/82/350678182.db2.gz NZWDBPVJEIJIFQ-OPRDCNLKSA-N -1 3 287.306 3.262 20 0 CGADHM CC1(C)CC(CN2CCc3c(F)ccc(C(=O)[O-])c3C2)C1 ZINC000629367349 350679946 /nfs/dbraw/zinc/67/99/46/350679946.db2.gz RGAILBNVYLZCRE-UHFFFAOYSA-N -1 3 291.366 3.318 20 0 CGADHM O=C([O-])c1ccc(CN2CCCC(F)(F)CC2)s1 ZINC000629368080 350680299 /nfs/dbraw/zinc/68/02/99/350680299.db2.gz JHVWJNODUSSMHI-UHFFFAOYSA-N -1 3 275.320 3.068 20 0 CGADHM O=C(NCC1(C(F)(F)F)CCCC1)c1cccc([O-])c1 ZINC000629460735 350693617 /nfs/dbraw/zinc/69/36/17/350693617.db2.gz ZKCQXTXSRILRNH-UHFFFAOYSA-N -1 3 287.281 3.245 20 0 CGADHM Cc1ccc(C(=O)N2C[C@@H]3CCCC[C@@]32C)c([O-])c1 ZINC000629616919 350719909 /nfs/dbraw/zinc/71/99/09/350719909.db2.gz MYSMEPJVTYOVKH-LRDDRELGSA-N -1 3 259.349 3.105 20 0 CGADHM C/C=C/C[C@@H]1CCCN(C(=O)c2ccc([O-])c(OC)c2)C1 ZINC000629874197 350781880 /nfs/dbraw/zinc/78/18/80/350781880.db2.gz SLXQUTQCDSRBAF-ITDFMYJTSA-N -1 3 289.375 3.219 20 0 CGADHM C/C=C\C[C@H]1CCCN(C(=O)c2cccc([O-])c2)C1 ZINC000629879780 350784415 /nfs/dbraw/zinc/78/44/15/350784415.db2.gz RNXCCECZJGKAFI-ZRMMWKCHSA-N -1 3 259.349 3.211 20 0 CGADHM O=C([O-])C[C@@H](CNCc1ccc(Cl)o1)C1CCCC1 ZINC000630471866 350846366 /nfs/dbraw/zinc/84/63/66/350846366.db2.gz HAPSXAAPCKEYOB-NSHDSACASA-N -1 3 285.771 3.304 20 0 CGADHM CCc1cc(=O)[n-]c(SCc2c(C)cc(C)nc2C)n1 ZINC000631020437 350925921 /nfs/dbraw/zinc/92/59/21/350925921.db2.gz XGPOCUJMTOZIQZ-UHFFFAOYSA-N -1 3 289.404 3.357 20 0 CGADHM [O-]c1cccc(CN[C@H]2CCCC23CC3)c1Cl ZINC000631191803 350985743 /nfs/dbraw/zinc/98/57/43/350985743.db2.gz IJDHJUUUNMHGET-LBPRGKRZSA-N -1 3 251.757 3.468 20 0 CGADHM CCc1onc(C)c1[N-]C(=O)c1ccc(C)c(F)c1F ZINC000632165847 351175509 /nfs/dbraw/zinc/17/55/09/351175509.db2.gz SYRLZYAMOKMHNX-UHFFFAOYSA-N -1 3 280.274 3.384 20 0 CGADHM CCc1cc(C(=O)N[C@H](C)c2cnc(C)s2)ccc1[O-] ZINC000634042256 351424866 /nfs/dbraw/zinc/42/48/66/351424866.db2.gz ZHTOCHFTUBNKBU-SECBINFHSA-N -1 3 290.388 3.211 20 0 CGADHM CCc1cc(C(=O)N(Cc2cccnc2)C2CC2)ccc1[O-] ZINC000291403199 198012634 /nfs/dbraw/zinc/01/26/34/198012634.db2.gz DTQPETBSCLLKJW-UHFFFAOYSA-N -1 3 296.370 3.154 20 0 CGADHM Cc1cc(OC[C@H]2CCC(F)(F)C2)cc2occ([O-])c21 ZINC000634561055 351514335 /nfs/dbraw/zinc/51/43/35/351514335.db2.gz JPKYGFSJHXJGID-JTQLQIEISA-N -1 3 282.286 3.384 20 0 CGADHM CC[C@H](CC(=O)[N-]OC/C=C/Cl)c1ccc(OC)cc1 ZINC000291442317 198022933 /nfs/dbraw/zinc/02/29/33/198022933.db2.gz BDCWRPLNXWJQAU-OXFRDRNISA-N -1 3 297.782 3.379 20 0 CGADHM Cc1[n-]n([C@@H]2CCc3c2cccc3F)c(=O)c1C1CC1 ZINC000634632504 351554540 /nfs/dbraw/zinc/55/45/40/351554540.db2.gz SRDGAXPGZRXOTQ-CABCVRRESA-N -1 3 272.323 3.057 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)Nc1cc(F)c(OC)c(F)c1 ZINC000291668802 198057656 /nfs/dbraw/zinc/05/76/56/198057656.db2.gz BBOBOQPQLLKQIW-MRVPVSSYSA-N -1 3 288.294 3.073 20 0 CGADHM Cc1cccc(C2(C(=O)Nc3ncccc3[O-])CCC2)c1 ZINC000636339308 351737920 /nfs/dbraw/zinc/73/79/20/351737920.db2.gz YMEPXBZIEBDZKU-UHFFFAOYSA-N -1 3 282.343 3.156 20 0 CGADHM C[C@@]1(C2CCCCC2)CCN1C(=O)c1cccc2[n-]nnc21 ZINC000636386144 351748316 /nfs/dbraw/zinc/74/83/16/351748316.db2.gz YAULXMMFCCHDEY-KRWDZBQOSA-N -1 3 298.390 3.143 20 0 CGADHM C[C@@]1(C2CCCCC2)CCN1C(=O)c1cccc2nn[n-]c21 ZINC000636386144 351748318 /nfs/dbraw/zinc/74/83/18/351748318.db2.gz YAULXMMFCCHDEY-KRWDZBQOSA-N -1 3 298.390 3.143 20 0 CGADHM C[C@@]1(C2CCCCC2)CCN1C(=O)c1cccc2n[n-]nc21 ZINC000636386144 351748323 /nfs/dbraw/zinc/74/83/23/351748323.db2.gz YAULXMMFCCHDEY-KRWDZBQOSA-N -1 3 298.390 3.143 20 0 CGADHM O=C(NCc1ccc([O-])c2ncccc12)C1CCC=CCC1 ZINC000636001992 351710725 /nfs/dbraw/zinc/71/07/25/351710725.db2.gz UZEICNGQQNCCDN-UHFFFAOYSA-N -1 3 296.370 3.303 20 0 CGADHM CCc1cc(C(=O)N[C@@H](C2CC2)C(F)(F)F)ccc1[O-] ZINC000291714795 198068376 /nfs/dbraw/zinc/06/83/76/198068376.db2.gz GSKGALNQAWGCJI-LBPRGKRZSA-N -1 3 287.281 3.025 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)CCc1c[nH]c2ccccc12 ZINC000292146591 198181482 /nfs/dbraw/zinc/18/14/82/198181482.db2.gz ROXJVACZLIGGJO-LBPRGKRZSA-N -1 3 274.364 3.194 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)CCc1ccc(C)s1 ZINC000292187722 198194680 /nfs/dbraw/zinc/19/46/80/198194680.db2.gz WHJKCYNJHBQRRY-JTQLQIEISA-N -1 3 255.383 3.083 20 0 CGADHM C[C@@H](c1ccco1)N(C)C(=O)c1cc([O-])ccc1Cl ZINC000336456850 213324274 /nfs/dbraw/zinc/32/42/74/213324274.db2.gz VSNDSCXEFCEIPN-VIFPVBQESA-N -1 3 279.723 3.472 20 0 CGADHM O=C([N-]OCC1CC1)Nc1ccccc1C(F)(F)F ZINC000292328614 198246355 /nfs/dbraw/zinc/24/63/55/198246355.db2.gz NFNAQFTUUWYXJM-UHFFFAOYSA-N -1 3 274.242 3.169 20 0 CGADHM Cc1ccc([C@@H](C)[N-]c2nnc(C(F)F)o2)cc1 ZINC000292448834 198292852 /nfs/dbraw/zinc/29/28/52/198292852.db2.gz IMXHIPMEWYWENZ-MRVPVSSYSA-N -1 3 253.252 3.489 20 0 CGADHM Cc1ccc(NC(=O)[N-]OCCC(F)(F)F)c(C)c1 ZINC000156061930 188240888 /nfs/dbraw/zinc/24/08/88/188240888.db2.gz XWLNNXWBCUGDAA-UHFFFAOYSA-N -1 3 276.258 3.309 20 0 CGADHM O=C([N-]OCC1CC1)Nc1ccccc1SC(F)F ZINC000292669591 198370240 /nfs/dbraw/zinc/37/02/40/198370240.db2.gz OTSVHEYVUZSKIT-UHFFFAOYSA-N -1 3 288.319 3.464 20 0 CGADHM O=c1cc(CSC2CCCC2)nc(C2CC2)[n-]1 ZINC000412982790 235234754 /nfs/dbraw/zinc/23/47/54/235234754.db2.gz ZYFHVDCTDNXUIR-UHFFFAOYSA-N -1 3 250.367 3.235 20 0 CGADHM O=C(c1csc(=O)[n-]1)N1CCCC2(CCCCC2)C1 ZINC000336349280 213198993 /nfs/dbraw/zinc/19/89/93/213198993.db2.gz RXRSMTANGKRZFW-UHFFFAOYSA-N -1 3 280.393 3.035 20 0 CGADHM CCO[N-]C(=O)Nc1cc(Cl)c(OC)c(Cl)c1 ZINC000273665264 192253217 /nfs/dbraw/zinc/25/32/17/192253217.db2.gz IORRNWHJRQVUEY-UHFFFAOYSA-N -1 3 279.123 3.075 20 0 CGADHM [O-]c1cccc(CNCCCc2nccs2)c1Cl ZINC000293717287 198744449 /nfs/dbraw/zinc/74/44/49/198744449.db2.gz YEXIUHCRTHPNIG-UHFFFAOYSA-N -1 3 282.796 3.225 20 0 CGADHM CC(C)=CCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000480738375 535356814 /nfs/dbraw/zinc/35/68/14/535356814.db2.gz XGRZTSLRIVGFDK-UHFFFAOYSA-N -1 3 291.775 3.114 20 0 CGADHM COc1ccc(C(=O)N2CC(C3CCCCC3)C2)c([O-])c1 ZINC000294291616 198986758 /nfs/dbraw/zinc/98/67/58/198986758.db2.gz NXVPLGSHKMXKRY-UHFFFAOYSA-N -1 3 289.375 3.053 20 0 CGADHM C[C@]1(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)C[C@H]1F ZINC000424733488 236185580 /nfs/dbraw/zinc/18/55/80/236185580.db2.gz INHLAKIKAOJSNV-KOLCDFICSA-N -1 3 277.217 3.098 20 0 CGADHM C[C@H]1CCN(Cc2cc([O-])cc(F)c2)CC1(F)F ZINC000426391795 236291977 /nfs/dbraw/zinc/29/19/77/236291977.db2.gz SLDWEWYYAAKPPD-VIFPVBQESA-N -1 3 259.271 3.008 20 0 CGADHM Cc1cccc([C@@H]([N-]C(=O)C(C)(F)F)c2ccccn2)c1 ZINC000294713060 199147094 /nfs/dbraw/zinc/14/70/94/199147094.db2.gz WRLLWIGDKZNPPO-CQSZACIVSA-N -1 3 290.313 3.251 20 0 CGADHM Cc1cccc([C@H]([N-]C(=O)C(C)(F)F)c2ccccn2)c1 ZINC000294713052 199147433 /nfs/dbraw/zinc/14/74/33/199147433.db2.gz WRLLWIGDKZNPPO-AWEZNQCLSA-N -1 3 290.313 3.251 20 0 CGADHM CC(C)(C)c1nsc([N-]C(=O)c2cncc(Cl)c2)n1 ZINC000294803791 199190735 /nfs/dbraw/zinc/19/07/35/199190735.db2.gz FFVUNZHJKPZVDB-UHFFFAOYSA-N -1 3 296.783 3.136 20 0 CGADHM Cc1cccc([O-])c1NC(=O)[C@@H]1CCN(c2ccccc2)C1 ZINC000336186176 213005336 /nfs/dbraw/zinc/00/53/36/213005336.db2.gz DWSBWULRFWRLEO-CQSZACIVSA-N -1 3 296.370 3.166 20 0 CGADHM Cc1cscc1CNC(=O)c1ccc(C)c(C)c1[O-] ZINC000436819575 237184669 /nfs/dbraw/zinc/18/46/69/237184669.db2.gz YTBYXTPMEGTDPJ-UHFFFAOYSA-N -1 3 275.373 3.309 20 0 CGADHM Cc1ccc(C(=O)NCC2(C(F)(F)F)CCC2)c([O-])c1 ZINC000436684445 237158369 /nfs/dbraw/zinc/15/83/69/237158369.db2.gz AMUBVLKRIICNGO-UHFFFAOYSA-N -1 3 287.281 3.163 20 0 CGADHM Cc1ccc(Cc2nc(-c3ccc([O-])cc3)no2)cc1O ZINC000436692942 237160711 /nfs/dbraw/zinc/16/07/11/237160711.db2.gz ZBZMKRFYCJIXJI-UHFFFAOYSA-N -1 3 282.299 3.047 20 0 CGADHM Cc1ccc(C(=O)NCC2(c3ccccc3)CC2)c([O-])c1C ZINC000436693034 237162900 /nfs/dbraw/zinc/16/29/00/237162900.db2.gz POCMCSTWVFOZFL-UHFFFAOYSA-N -1 3 295.382 3.471 20 0 CGADHM Cc1ccc(C(=O)NCCO[C@H]2CCCC[C@H]2C)c([O-])c1 ZINC000436730526 237172484 /nfs/dbraw/zinc/17/24/84/237172484.db2.gz HAAGKTJJLKBONF-CJNGLKHVSA-N -1 3 291.391 3.026 20 0 CGADHM O=C(c1ccc2c(c1[O-])CCCC2)N1CCc2ccccc21 ZINC000436948061 237218275 /nfs/dbraw/zinc/21/82/75/237218275.db2.gz NTJXQDHMGNQQPA-UHFFFAOYSA-N -1 3 293.366 3.474 20 0 CGADHM C[C@@]1(CNC(=O)c2ccc(O)cc2[O-])C[C@H]1c1ccccc1 ZINC000436966093 237222870 /nfs/dbraw/zinc/22/28/70/237222870.db2.gz UXNLKKKDVZNOJB-YJBOKZPZSA-N -1 3 297.354 3.021 20 0 CGADHM COCCc1ccccc1NC(=O)c1ccc(C)c(C)c1[O-] ZINC000436842699 237193274 /nfs/dbraw/zinc/19/32/74/237193274.db2.gz WNYHDXWHZNLXHM-UHFFFAOYSA-N -1 3 299.370 3.450 20 0 CGADHM Cc1ncsc1/C=C\c1nc(-c2ccc([O-])cc2)no1 ZINC000436870580 237198317 /nfs/dbraw/zinc/19/83/17/237198317.db2.gz NVWRRFZOEWSJAX-SREVYHEPSA-N -1 3 285.328 3.378 20 0 CGADHM Cc1ccc(O[C@@H](C)CNC(=O)c2ccc([O-])c(C)c2)cc1 ZINC000436925115 237213756 /nfs/dbraw/zinc/21/37/56/237213756.db2.gz FWEXJUBBCBYXKG-AWEZNQCLSA-N -1 3 299.370 3.206 20 0 CGADHM CCc1cccc(NC(=O)c2c[n-]nc2-c2ccncc2)c1 ZINC000341650732 216050043 /nfs/dbraw/zinc/05/00/43/216050043.db2.gz VXTFZSPFKQYRAA-UHFFFAOYSA-N -1 3 292.342 3.286 20 0 CGADHM CCc1cccc(NC(=O)c2cn[n-]c2-c2ccncc2)c1 ZINC000341650732 216050046 /nfs/dbraw/zinc/05/00/46/216050046.db2.gz VXTFZSPFKQYRAA-UHFFFAOYSA-N -1 3 292.342 3.286 20 0 CGADHM Cc1cc(Cl)c(NC([O-])=NOC[C@H]2CCOC2)cc1C ZINC000297417373 200182864 /nfs/dbraw/zinc/18/28/64/200182864.db2.gz NTPRSRQLSAMEKH-NSHDSACASA-N -1 3 298.770 3.046 20 0 CGADHM Cc1cc(Cl)c(NC(=O)[N-]OC[C@H]2CCOC2)cc1C ZINC000297417373 200182865 /nfs/dbraw/zinc/18/28/65/200182865.db2.gz NTPRSRQLSAMEKH-NSHDSACASA-N -1 3 298.770 3.046 20 0 CGADHM CC(C)ON=C([O-])Nc1ccc(F)cc1OC(C)(C)C ZINC000297810032 200284234 /nfs/dbraw/zinc/28/42/34/200284234.db2.gz PPXSEDBGOZNKKQ-UHFFFAOYSA-N -1 3 284.331 3.465 20 0 CGADHM CC(C)O[N-]C(=O)Nc1ccc(F)cc1OC(C)(C)C ZINC000297810032 200284236 /nfs/dbraw/zinc/28/42/36/200284236.db2.gz PPXSEDBGOZNKKQ-UHFFFAOYSA-N -1 3 284.331 3.465 20 0 CGADHM COc1cccc(C(=O)N([C@@H](C)C(C)C)C2CC2)c1[O-] ZINC000298332496 200398706 /nfs/dbraw/zinc/39/87/06/200398706.db2.gz XDNZGHNMURZFQH-NSHDSACASA-N -1 3 277.364 3.050 20 0 CGADHM O=C(Nc1ncccc1[O-])c1c[nH]cc1-c1ccccc1 ZINC000341888263 216138914 /nfs/dbraw/zinc/13/89/14/216138914.db2.gz MFWLKNDBMBKVQH-UHFFFAOYSA-N -1 3 279.299 3.035 20 0 CGADHM CCN(Cc1ccncc1)C(=O)c1ccc(C)c(C)c1[O-] ZINC000298685556 200503992 /nfs/dbraw/zinc/50/39/92/200503992.db2.gz HZYDHIQULDDKFY-UHFFFAOYSA-N -1 3 284.359 3.066 20 0 CGADHM Cc1cccc([O-])c1NC(=O)CSC(C)(C)C ZINC000179547941 189201907 /nfs/dbraw/zinc/20/19/07/189201907.db2.gz JKXMTUDUFFKNJD-UHFFFAOYSA-N -1 3 253.367 3.171 20 0 CGADHM c1c2ccccc2oc1C[N-]c1nnc([C@@H]2CCCO2)o1 ZINC000181970594 189311521 /nfs/dbraw/zinc/31/15/21/189311521.db2.gz CYBKNQBUPFNIAC-ZDUSSCGKSA-N -1 3 285.303 3.279 20 0 CGADHM CCO[N-]C(=O)Nc1ccc2c3c(cccc31)CC2 ZINC000182953610 189340624 /nfs/dbraw/zinc/34/06/24/189340624.db2.gz KJWKMMGSMKZLIQ-UHFFFAOYSA-N -1 3 256.305 3.011 20 0 CGADHM COCCC1(C(=O)Nc2ccc([O-])cc2F)CCCC1 ZINC000183247154 189352198 /nfs/dbraw/zinc/35/21/98/189352198.db2.gz YNLOZXMGXCEJTE-UHFFFAOYSA-N -1 3 281.327 3.067 20 0 CGADHM CO[C@@H]1CCCC[C@@H]1[N-]c1nc(-c2ccc(C)cc2)no1 ZINC000302022423 201302940 /nfs/dbraw/zinc/30/29/40/201302940.db2.gz FKHJWAARRQCDSB-UONOGXRCSA-N -1 3 287.363 3.415 20 0 CGADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@@H]3C[C@H]3CC)nc2)n1 ZINC000450727279 240055547 /nfs/dbraw/zinc/05/55/47/240055547.db2.gz XRFBDGBBNOQDEB-YPMHNXCESA-N -1 3 298.390 3.265 20 0 CGADHM CC[C@H](C)[N-]S(=O)(=O)c1ccc2ccccc2c1F ZINC000450960401 240170848 /nfs/dbraw/zinc/17/08/48/240170848.db2.gz RLTIZSUYWNAZLY-JTQLQIEISA-N -1 3 281.352 3.056 20 0 CGADHM CC(C)N(CC1CCC1)C(=O)Cc1ccc([O-])c(F)c1 ZINC000451424076 240298632 /nfs/dbraw/zinc/29/86/32/240298632.db2.gz DGXVUTVJWKROHR-UHFFFAOYSA-N -1 3 279.355 3.111 20 0 CGADHM CCC[C@@H](OC)C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000451482650 240311723 /nfs/dbraw/zinc/31/17/23/240311723.db2.gz WLQVTHUMPBKQLO-CQSZACIVSA-N -1 3 279.380 3.443 20 0 CGADHM CCN(Cc1cccc([O-])c1Br)C1CC1 ZINC000459311518 242065603 /nfs/dbraw/zinc/06/56/03/242065603.db2.gz XSKKCUKBAAGIIB-UHFFFAOYSA-N -1 3 270.170 3.139 20 0 CGADHM C[C@@H]1CN(Cc2cc(=O)[n-]c(C3CC3)n2)[C@H]1c1ccccc1 ZINC000459364497 242090513 /nfs/dbraw/zinc/09/05/13/242090513.db2.gz SLRSKMFQXGEHDQ-SJKOYZFVSA-N -1 3 295.386 3.253 20 0 CGADHM Cc1ccc([O-])c(CN2Cc3ccc(Cl)cc3C2)n1 ZINC000459737534 242201067 /nfs/dbraw/zinc/20/10/67/242201067.db2.gz CIDIXFLBAYWXFF-UHFFFAOYSA-N -1 3 274.751 3.265 20 0 CGADHM O=C(c1csc(=O)[n-]1)N1CCC[C@H]1CCC1CCCC1 ZINC000472347674 242809360 /nfs/dbraw/zinc/80/93/60/242809360.db2.gz IULIZRNBWKXJHR-LBPRGKRZSA-N -1 3 294.420 3.424 20 0 CGADHM C[C@@H]1C[C@@H](C)[C@H](C)N(C(=O)Cc2ccc([O-])cc2Cl)C1 ZINC000476545121 243016938 /nfs/dbraw/zinc/01/69/38/243016938.db2.gz LQXNHXBMLHOQMS-UTUOFQBUSA-N -1 3 295.810 3.481 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2ccc(F)c(Cl)c2)n1 ZINC000486122691 243354327 /nfs/dbraw/zinc/35/43/27/243354327.db2.gz FFJKRMZTIVYNEI-HWKANZROSA-N -1 3 264.687 3.454 20 0 CGADHM COc1cc(C(=O)NC[C@H](C)c2ccc(C)cc2)ccc1[O-] ZINC000275999318 193184028 /nfs/dbraw/zinc/18/40/28/193184028.db2.gz AFECJOFNLDKSHS-ZDUSSCGKSA-N -1 3 299.370 3.243 20 0 CGADHM O=C([O-])[C@@H](NCc1cccc(Cl)c1)c1ccccc1 ZINC000019787872 368766273 /nfs/dbraw/zinc/76/62/73/368766273.db2.gz FLQUKKMSOZDYFP-AWEZNQCLSA-N -1 3 275.735 3.256 20 0 CGADHM COc1cccc(C(=O)Nc2ccc(C)cc2C)c1[O-] ZINC000019836817 368769838 /nfs/dbraw/zinc/76/98/38/368769838.db2.gz ZNNBVSQGVNCGPH-UHFFFAOYSA-N -1 3 271.316 3.270 20 0 CGADHM O=C(/C=C/c1ccc(F)c(Cl)c1)[N-]O[C@H]1CCCCO1 ZINC000491353459 243784484 /nfs/dbraw/zinc/78/44/84/243784484.db2.gz WOAHIKNHJPNQGB-DYLGSBMWSA-N -1 3 299.729 3.067 20 0 CGADHM Cc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)c([O-])c1 ZINC000028198312 368880993 /nfs/dbraw/zinc/88/09/93/368880993.db2.gz HWLJQHTZQZRUJF-AWEZNQCLSA-N -1 3 283.371 3.452 20 0 CGADHM O=C(Nc1cc(F)cc(F)c1)c1cc(-c2ccco2)[n-]n1 ZINC000029833677 368899647 /nfs/dbraw/zinc/89/96/47/368899647.db2.gz DLSGZKPCMUKMCU-UHFFFAOYSA-N -1 3 289.241 3.200 20 0 CGADHM O=C(Nc1cc(F)cc(F)c1)c1cc(-c2ccco2)n[n-]1 ZINC000029833677 368899650 /nfs/dbraw/zinc/89/96/50/368899650.db2.gz DLSGZKPCMUKMCU-UHFFFAOYSA-N -1 3 289.241 3.200 20 0 CGADHM CC[C@H](C)N(CC(=O)[O-])Cc1c(F)cccc1Cl ZINC000032120769 368926769 /nfs/dbraw/zinc/92/67/69/368926769.db2.gz NDRQRATVJGXWGI-VIFPVBQESA-N -1 3 273.735 3.164 20 0 CGADHM O=C(/C=C/c1cncs1)Nc1cc(Cl)ccc1[O-] ZINC000493328155 244142752 /nfs/dbraw/zinc/14/27/52/244142752.db2.gz VTMWLMIFOJIIBI-DUXPYHPUSA-N -1 3 280.736 3.154 20 0 CGADHM Cc1cccc(C(=O)N(C)[C@H]2CCC[C@H](C)C2)c1[O-] ZINC000042355357 369216247 /nfs/dbraw/zinc/21/62/47/369216247.db2.gz LXDPVWKMTABSAV-AAEUAGOBSA-N -1 3 261.365 3.351 20 0 CGADHM Cc1cccc(C(=O)N(C)Cc2ccccc2F)c1[O-] ZINC000042252306 369207832 /nfs/dbraw/zinc/20/78/32/369207832.db2.gz OUJYEVTZYBWAJQ-UHFFFAOYSA-N -1 3 273.307 3.112 20 0 CGADHM O=C([O-])[C@@H](NCc1ccccc1)c1ccc(Cl)c(F)c1 ZINC000043390992 369251577 /nfs/dbraw/zinc/25/15/77/369251577.db2.gz BWFLOQVKMIXXCE-AWEZNQCLSA-N -1 3 293.725 3.395 20 0 CGADHM CCCCCN(C(=O)c1cccc(OC)c1[O-])C(C)C ZINC000047846409 369328731 /nfs/dbraw/zinc/32/87/31/369328731.db2.gz AISSQVDVZOVLTC-UHFFFAOYSA-N -1 3 279.380 3.442 20 0 CGADHM Cc1ccc(C(=O)N(C)c2ccc(F)cc2)c([O-])c1 ZINC000048442334 369351203 /nfs/dbraw/zinc/35/12/03/369351203.db2.gz WTFYGBQZCVENMN-UHFFFAOYSA-N -1 3 259.280 3.116 20 0 CGADHM C[C@@H](N[C@@H](C)C(=O)[O-])c1cc(F)c(Cl)cc1Cl ZINC000049357501 369398117 /nfs/dbraw/zinc/39/81/17/369398117.db2.gz IUVHLYWITKVTQD-RITPCOANSA-N -1 3 280.126 3.256 20 0 CGADHM Cc1cc([C@@H](C)NCc2ccc(C(=O)[O-])cc2)c(C)o1 ZINC000050920904 369445017 /nfs/dbraw/zinc/44/50/17/369445017.db2.gz SXUFSQNVDRCFEO-LLVKDONJSA-N -1 3 273.332 3.445 20 0 CGADHM C[C@@H]1c2ccsc2CCN1C(=O)c1ccccc1[O-] ZINC000049933475 369423772 /nfs/dbraw/zinc/42/37/72/369423772.db2.gz CQIDLWVEQZJVSK-SNVBAGLBSA-N -1 3 273.357 3.213 20 0 CGADHM CCC1(C)CCN(C(=O)c2ccc(OC)cc2[O-])CC1 ZINC000060942527 369594101 /nfs/dbraw/zinc/59/41/01/369594101.db2.gz YQBSRAVKSLFNOV-UHFFFAOYSA-N -1 3 277.364 3.053 20 0 CGADHM c1csc(-c2cccc(N=c3ncnc4[nH][n-]cc3-4)c2)c1 ZINC000507023024 244803411 /nfs/dbraw/zinc/80/34/11/244803411.db2.gz STSHTIIRAZHTPZ-UHFFFAOYSA-N -1 3 293.355 3.199 20 0 CGADHM O=C(c1cccc([O-])c1)N1CCCCc2ccccc21 ZINC000088337201 370034107 /nfs/dbraw/zinc/03/41/07/370034107.db2.gz QRVDQWPNCQOYHK-UHFFFAOYSA-N -1 3 267.328 3.375 20 0 CGADHM C[C@@H](C(=O)Nc1cc(Cl)ccc1[O-])N1[C@H](C)CC[C@H]1C ZINC000101652479 370294354 /nfs/dbraw/zinc/29/43/54/370294354.db2.gz VZLUFHXZJXDXFF-MXWKQRLJSA-N -1 3 296.798 3.245 20 0 CGADHM CCOc1ncc(C(=O)Nc2ccccc2[O-])cc1Cl ZINC000112392804 370424955 /nfs/dbraw/zinc/42/49/55/370424955.db2.gz IZMMMTFFKHPCSH-UHFFFAOYSA-N -1 3 292.722 3.092 20 0 CGADHM CC[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000512031380 245015962 /nfs/dbraw/zinc/01/59/62/245015962.db2.gz PFKUZNRBMAQGLL-DTWKUNHWSA-N -1 3 293.791 3.192 20 0 CGADHM O=C(c1ccccc1[O-])N1CCC[C@]2(CC=CCC2)C1 ZINC000114557877 370505942 /nfs/dbraw/zinc/50/59/42/370505942.db2.gz QIVYKHHXKHSLHU-QGZVFWFLSA-N -1 3 271.360 3.355 20 0 CGADHM CCOCCC1(C(=O)Nc2cc(F)ccc2[O-])CCC1 ZINC000129617665 370996657 /nfs/dbraw/zinc/99/66/57/370996657.db2.gz YYYDFQVYNOOCSS-UHFFFAOYSA-N -1 3 281.327 3.067 20 0 CGADHM Cc1ccc([O-])c(CN(C)[C@H]2CCc3ccccc32)n1 ZINC000131989174 371144363 /nfs/dbraw/zinc/14/43/63/371144363.db2.gz WPBVSSISVYNQAZ-INIZCTEOSA-N -1 3 268.360 3.215 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CCC[C@H](CC)C2)c1 ZINC000132585491 371185740 /nfs/dbraw/zinc/18/57/40/371185740.db2.gz PIMNKGDNRQQWAL-ZDUSSCGKSA-N -1 3 261.365 3.217 20 0 CGADHM CC(C)OCCC(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000134223052 371313352 /nfs/dbraw/zinc/31/33/52/371313352.db2.gz IDWIMLDFTZADMC-UHFFFAOYSA-N -1 3 291.269 3.165 20 0 CGADHM COCC1(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])CC1 ZINC000331998222 204374583 /nfs/dbraw/zinc/37/45/83/204374583.db2.gz RBOQNEKKZDYDQT-UHFFFAOYSA-N -1 3 277.364 3.055 20 0 CGADHM CCCN(CC(F)F)C(=O)Cc1ccc([O-])cc1Cl ZINC000136235988 371468962 /nfs/dbraw/zinc/46/89/62/371468962.db2.gz CVDSDPQQXSKNAT-UHFFFAOYSA-N -1 3 291.725 3.092 20 0 CGADHM O=C(NCc1ccc([O-])c(F)c1)C(C1CCC1)C1CCC1 ZINC000286728583 371544771 /nfs/dbraw/zinc/54/47/71/371544771.db2.gz JTVVJRLWBSUJPX-UHFFFAOYSA-N -1 3 291.366 3.364 20 0 CGADHM Cc1noc(C)c1[C@H](C)CC(=O)Nc1ccccc1[O-] ZINC000151314624 371591732 /nfs/dbraw/zinc/59/17/32/371591732.db2.gz MMPJDUZIRWHXOE-SECBINFHSA-N -1 3 274.320 3.129 20 0 CGADHM CC[C@H]1CN(C(=O)c2ccc(C)c(C)c2[O-])C[C@H](CC)O1 ZINC000421973297 371716985 /nfs/dbraw/zinc/71/69/85/371716985.db2.gz KZIUFYPUYGCDFA-KBPBESRZSA-N -1 3 291.391 3.039 20 0 CGADHM O=C(CSc1ccncc1)Nc1ccc(Cl)cc1[O-] ZINC000153534640 371774981 /nfs/dbraw/zinc/77/49/81/371774981.db2.gz YHUJWPAEKWYJBU-UHFFFAOYSA-N -1 3 294.763 3.171 20 0 CGADHM O=C(CCc1ccoc1)Nc1ccc(Cl)cc1[O-] ZINC000153588552 371777108 /nfs/dbraw/zinc/77/71/08/371777108.db2.gz ZZMSAIIQALEVBI-UHFFFAOYSA-N -1 3 265.696 3.210 20 0 CGADHM CCc1cccc(C(=O)N2CC[C@H](C)[C@@H](C)C2)c1[O-] ZINC000153754318 371784143 /nfs/dbraw/zinc/78/41/43/371784143.db2.gz FQLXSRMVAIQHTB-RYUDHWBXSA-N -1 3 261.365 3.073 20 0 CGADHM CC[C@H](O)CSc1nnc([N-]c2ccccc2F)s1 ZINC000156112913 371962235 /nfs/dbraw/zinc/96/22/35/371962235.db2.gz BQYJCQNBABPHPZ-QMMMGPOBSA-N -1 3 299.396 3.284 20 0 CGADHM [O-]c1cc(F)cc(CN2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c1 ZINC000291002438 372091048 /nfs/dbraw/zinc/09/10/48/372091048.db2.gz WCNBMPSTSDNFSB-HOTGVXAUSA-N -1 3 291.366 3.065 20 0 CGADHM O=C1c2ccccc2N[C@H](c2ccc([O-])c(F)c2)N1C1CC1 ZINC000158999828 372096993 /nfs/dbraw/zinc/09/69/93/372096993.db2.gz DGVUVLCLEVJEFQ-INIZCTEOSA-N -1 3 298.317 3.260 20 0 CGADHM CCc1noc([N-]Cc2csc(-c3ccsc3)n2)n1 ZINC000292785322 372209968 /nfs/dbraw/zinc/20/99/68/372209968.db2.gz QAIZZQNHCWXLGL-UHFFFAOYSA-N -1 3 292.389 3.429 20 0 CGADHM CSCc1ccc(NC(=O)[N-]OCC2CC2)cc1 ZINC000292928043 372251140 /nfs/dbraw/zinc/25/11/40/372251140.db2.gz MHOBEDIJLOVZOU-UHFFFAOYSA-N -1 3 266.366 3.013 20 0 CGADHM CC[C@@H](C)OCC(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000161914894 372360269 /nfs/dbraw/zinc/36/02/69/372360269.db2.gz OEHNARBQNWSSQP-MRVPVSSYSA-N -1 3 291.269 3.165 20 0 CGADHM CC(F)(F)C(=O)[N-]C(C)(C)c1cccc(Cl)c1F ZINC000293348134 372360483 /nfs/dbraw/zinc/36/04/83/372360483.db2.gz BDQARQPCTLBGKT-UHFFFAOYSA-N -1 3 279.689 3.486 20 0 CGADHM [O-]c1ccc(-c2noc(C[C@@H]3CCCO3)n2)c2ccccc12 ZINC000293491868 372394576 /nfs/dbraw/zinc/39/45/76/372394576.db2.gz UXYLRBZJUGPBOM-NSHDSACASA-N -1 3 296.326 3.317 20 0 CGADHM CC(C)[C@@H]1N(C(=O)c2cccc([O-])c2)CC12CCC2 ZINC000293623451 372426280 /nfs/dbraw/zinc/42/62/80/372426280.db2.gz CGNMLVQNEPWDNR-AWEZNQCLSA-N -1 3 259.349 3.043 20 0 CGADHM CC(C)O[C@@H](C(=O)Nc1ccccc1[O-])c1ccccc1 ZINC000431393546 372465783 /nfs/dbraw/zinc/46/57/83/372465783.db2.gz RRGPJWONRFGQQW-MRXNPFEDSA-N -1 3 285.343 3.497 20 0 CGADHM O=C(CCc1ccc2ccccc2c1)[N-]OCC1CC1 ZINC000293863424 372504097 /nfs/dbraw/zinc/50/40/97/372504097.db2.gz WETBKVNQJLUJHZ-UHFFFAOYSA-N -1 3 269.344 3.230 20 0 CGADHM C[C@@H](NC(=O)CCc1ccc2ccccc2c1[O-])C1CC1 ZINC000294212367 372614259 /nfs/dbraw/zinc/61/42/59/372614259.db2.gz AOSGAXQPOPANSZ-GFCCVEGCSA-N -1 3 283.371 3.393 20 0 CGADHM O=S(=O)([N-]c1cc(F)c(F)cc1F)C1=CCCCC1 ZINC000294178428 372604034 /nfs/dbraw/zinc/60/40/34/372604034.db2.gz JVXRGGKAYFNEJG-UHFFFAOYSA-N -1 3 291.294 3.304 20 0 CGADHM Cc1cnc(CCN(C)Cc2cccc([O-])c2Cl)s1 ZINC000295262379 372721849 /nfs/dbraw/zinc/72/18/49/372721849.db2.gz HADVQJBDPLTGTQ-UHFFFAOYSA-N -1 3 296.823 3.485 20 0 CGADHM Cc1cccc(S(=O)(=O)[N-]C2CCC3(CC3)CC2)c1F ZINC000434759523 372708742 /nfs/dbraw/zinc/70/87/42/372708742.db2.gz OPYVZMPPZMZVBD-UHFFFAOYSA-N -1 3 297.395 3.135 20 0 CGADHM CCc1ccccc1C(=O)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000435675089 372793774 /nfs/dbraw/zinc/79/37/74/372793774.db2.gz TYPVOWFOLUHTRH-UHFFFAOYSA-N -1 3 291.354 3.313 20 0 CGADHM CC[C@@H]1CCN1C(=O)CCc1ccc2ccccc2c1[O-] ZINC000295449982 372785540 /nfs/dbraw/zinc/78/55/40/372785540.db2.gz XIWUWPWDCLWEPR-OAHLLOKOSA-N -1 3 283.371 3.489 20 0 CGADHM C[C@@H]1[C@@H](C(=O)NCc2ccc([O-])c(F)c2)[C@H]1c1ccccc1 ZINC000435760962 372805935 /nfs/dbraw/zinc/80/59/35/372805935.db2.gz OZULUNVUAWITDA-YMRXKLBXSA-N -1 3 299.345 3.197 20 0 CGADHM CCOC[C@H]1CCCN(Cc2cccc([O-])c2Cl)C1 ZINC000295509934 372809767 /nfs/dbraw/zinc/80/97/67/372809767.db2.gz ZAYPWUXSMAPECT-LBPRGKRZSA-N -1 3 283.799 3.294 20 0 CGADHM Cc1cc(C)c2[n-]cc(C(=O)N3C[C@H](C)[C@H]3C)c(=O)c2c1 ZINC000295583204 372836491 /nfs/dbraw/zinc/83/64/91/372836491.db2.gz LSNCBLOTIIWDIX-NWDGAFQWSA-N -1 3 284.359 3.038 20 0 CGADHM Cc1cccc(C(=O)N2CC[C@]3(CC[C@@H](C)C3)C2)c1[O-] ZINC000436703697 372838923 /nfs/dbraw/zinc/83/89/23/372838923.db2.gz JIMMZPNFEVAOKS-PXAZEXFGSA-N -1 3 273.376 3.353 20 0 CGADHM CCc1ccc(C(=O)N2CC[C@@H](C)[C@H]2CC)c([O-])c1 ZINC000436840716 372840734 /nfs/dbraw/zinc/84/07/34/372840734.db2.gz SXDWCOBRLXBFAO-BXUZGUMPSA-N -1 3 261.365 3.215 20 0 CGADHM Cc1cccc(C(=O)N(C)[C@@H]2CCC(C)(C)C2)c1[O-] ZINC000436911708 372842802 /nfs/dbraw/zinc/84/28/02/372842802.db2.gz FZOUUBNSROKFBE-GFCCVEGCSA-N -1 3 261.365 3.351 20 0 CGADHM CCC[C@@H](OC)C(=O)[N-]c1onc(C(F)(F)F)c1CC ZINC000295829644 372925506 /nfs/dbraw/zinc/92/55/06/372925506.db2.gz WAGVHEHSXHTSQG-MRVPVSSYSA-N -1 3 294.273 3.009 20 0 CGADHM CSCC1CCC(NC(=O)c2ccc([O-])c(C)c2)CC1 ZINC000295938161 372967084 /nfs/dbraw/zinc/96/70/84/372967084.db2.gz IFBGQFMFMPKYLE-UHFFFAOYSA-N -1 3 293.432 3.352 20 0 CGADHM CC[C@H](C)N(CC(=O)[O-])Cc1ccc(OC)cc1Cl ZINC000442762236 373073580 /nfs/dbraw/zinc/07/35/80/373073580.db2.gz GVOJGIQMEDQHCC-JTQLQIEISA-N -1 3 285.771 3.034 20 0 CGADHM Cn1cccc1[C@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC000173533788 373154050 /nfs/dbraw/zinc/15/40/50/373154050.db2.gz HIJLGCWSUGNEMV-OAHLLOKOSA-N -1 3 284.359 3.098 20 0 CGADHM Cc1csc([C@H](NC(=O)c2ccccc2[O-])C2CC2)n1 ZINC000173391356 373135210 /nfs/dbraw/zinc/13/52/10/373135210.db2.gz VEDBXLKPJMHTIV-CYBMUJFWSA-N -1 3 288.372 3.038 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)N(C)Cc2ccc(F)c(C)c2)n1 ZINC000447881801 373513168 /nfs/dbraw/zinc/51/31/68/373513168.db2.gz MUHXCYMDBHDYAN-GFCCVEGCSA-N -1 3 289.354 3.131 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)N(C)Cc2ccc(F)cc2C)n1 ZINC000447884098 373513988 /nfs/dbraw/zinc/51/39/88/373513988.db2.gz WFQVGPAILUZGEU-GFCCVEGCSA-N -1 3 289.354 3.131 20 0 CGADHM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000176671904 373622508 /nfs/dbraw/zinc/62/25/08/373622508.db2.gz ZGZBTJBLGOMZTP-UHFFFAOYSA-N -1 3 283.299 3.074 20 0 CGADHM CCC[C@@H]1CCC[C@@H]1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000448620172 373626643 /nfs/dbraw/zinc/62/66/43/373626643.db2.gz BUKJMOZFJZQHGF-RISCZKNCSA-N -1 3 299.378 3.022 20 0 CGADHM CCC[C@@H]1CCC[C@@H]1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000448620172 373626651 /nfs/dbraw/zinc/62/66/51/373626651.db2.gz BUKJMOZFJZQHGF-RISCZKNCSA-N -1 3 299.378 3.022 20 0 CGADHM Cc1cccc([O-])c1NC(=O)CCCOc1ccccc1 ZINC000179560988 373888075 /nfs/dbraw/zinc/88/80/75/373888075.db2.gz ZHISPPIGUNVMLH-UHFFFAOYSA-N -1 3 285.343 3.498 20 0 CGADHM C[C@H]1CCCC[C@@H]1CCNC(=O)Cc1ccc([O-])c(F)c1 ZINC000449863840 373950075 /nfs/dbraw/zinc/95/00/75/373950075.db2.gz JRBNFQAPLJFNGW-GXTWGEPZSA-N -1 3 293.382 3.406 20 0 CGADHM C[C@@H](CCC(C)(C)C)NC(=O)Cc1ccc([O-])c(F)c1 ZINC000449894600 373960274 /nfs/dbraw/zinc/96/02/74/373960274.db2.gz BJYJQKCXKMPPDU-NSHDSACASA-N -1 3 281.371 3.405 20 0 CGADHM O=C(Nc1cccc(C2CC2)n1)c1cc(-c2ccco2)[n-]n1 ZINC000353667149 220240160 /nfs/dbraw/zinc/24/01/60/220240160.db2.gz GAIXOBJNBZEPJM-UHFFFAOYSA-N -1 3 294.314 3.194 20 0 CGADHM O=C(Nc1cccc(C2CC2)n1)c1cc(-c2ccco2)n[n-]1 ZINC000353667149 220240162 /nfs/dbraw/zinc/24/01/62/220240162.db2.gz GAIXOBJNBZEPJM-UHFFFAOYSA-N -1 3 294.314 3.194 20 0 CGADHM CC(=O)c1[n-]c(=NCc2ccc(F)c(C)c2)sc1C ZINC000450235289 374012028 /nfs/dbraw/zinc/01/20/28/374012028.db2.gz XGSMSWICNDSCNR-UHFFFAOYSA-N -1 3 278.352 3.136 20 0 CGADHM O=C([N-][C@@H](c1ccc(F)cc1)C(F)(F)F)[C@@H]1CC1(F)F ZINC000449932998 373976958 /nfs/dbraw/zinc/97/69/58/373976958.db2.gz YEPIZDMOTAVCHK-IUCAKERBSA-N -1 3 297.198 3.201 20 0 CGADHM Cc1ccc([O-])c(C(=O)NC[C@@H](C)Cc2cccs2)c1 ZINC000303879460 374029562 /nfs/dbraw/zinc/02/95/62/374029562.db2.gz JBHOSGAEIYYNDV-LBPRGKRZSA-N -1 3 289.400 3.371 20 0 CGADHM O=C([O-])[C@@H]1C=C[C@H](NCc2cc(Cl)ccc2Cl)C1 ZINC000310817959 374224769 /nfs/dbraw/zinc/22/47/69/374224769.db2.gz GXXIDFVLVOTJBI-KCJUWKMLSA-N -1 3 286.158 3.112 20 0 CGADHM C[C@@H](F)CCNC(=O)CCc1ccc2ccccc2c1[O-] ZINC000452157148 374256458 /nfs/dbraw/zinc/25/64/58/374256458.db2.gz WZDKHQWGXZTAAZ-GFCCVEGCSA-N -1 3 289.350 3.342 20 0 CGADHM Cc1o[n-]c(=NC(=O)c2oc3c(cccc3C)c2C)c1C ZINC000452166921 374261309 /nfs/dbraw/zinc/26/13/09/374261309.db2.gz UFUJPJCXSOEXMO-UHFFFAOYSA-N -1 3 284.315 3.329 20 0 CGADHM C[C@@]1(F)CCCN(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000452209901 374280429 /nfs/dbraw/zinc/28/04/29/374280429.db2.gz TWINRTTVRDHMTP-MRXNPFEDSA-N -1 3 297.345 3.205 20 0 CGADHM CC(C)n1ccc(NC(=O)c2cc([O-])ccc2Cl)n1 ZINC000311567841 374247633 /nfs/dbraw/zinc/24/76/33/374247633.db2.gz QAVYOUMZDWUQOM-UHFFFAOYSA-N -1 3 279.727 3.075 20 0 CGADHM O=C([O-])[C@H]1Cc2ccccc2CN1C/C=C/c1ccccc1 ZINC000315665611 374329875 /nfs/dbraw/zinc/32/98/75/374329875.db2.gz YJILOPKNVFPMFP-AHKGRUIUSA-N -1 3 293.366 3.211 20 0 CGADHM COc1cccc([C@H]2C[C@H]2C(=O)Nc2c(C)cccc2[O-])c1 ZINC000183029934 374358111 /nfs/dbraw/zinc/35/81/11/374358111.db2.gz KYKTXZVLQNWNEJ-HUUCEWRRSA-N -1 3 297.354 3.451 20 0 CGADHM C[C@@H](C1CCC1)N(C)C(=O)c1cc([O-])ccc1Cl ZINC000325336035 374358709 /nfs/dbraw/zinc/35/87/09/374358709.db2.gz BYCNMSVIIFNICM-VIFPVBQESA-N -1 3 267.756 3.306 20 0 CGADHM O=C(c1cccc([O-])c1)N1CCc2ccc(Cl)cc2C1 ZINC000182950357 374350158 /nfs/dbraw/zinc/35/01/58/374350158.db2.gz DSZZHJJTMQZNAR-UHFFFAOYSA-N -1 3 287.746 3.244 20 0 CGADHM O=C(Nc1ccc([O-])cc1F)c1cc(-c2ccccc2)no1 ZINC000183270123 374395461 /nfs/dbraw/zinc/39/54/61/374395461.db2.gz IJIWUALDHCZXRN-UHFFFAOYSA-N -1 3 298.273 3.439 20 0 CGADHM C[C@@H](C(=O)Nc1cccc([O-])c1F)c1ccccc1 ZINC000183804373 374459468 /nfs/dbraw/zinc/45/94/68/374459468.db2.gz JOZQBEOFFHMYBY-SNVBAGLBSA-N -1 3 259.280 3.274 20 0 CGADHM O=[S@](Cc1cc(-c2ccccc2)on1)c1cccc([O-])c1 ZINC000184045267 374486279 /nfs/dbraw/zinc/48/62/79/374486279.db2.gz UHAPMYDUFWVDAK-OAQYLSRUSA-N -1 3 299.351 3.355 20 0 CGADHM O=[S@@](CCCC1CCCC1)c1cccc([O-])c1 ZINC000184069458 374489208 /nfs/dbraw/zinc/48/92/08/374489208.db2.gz BWHFPGNAXAZGBD-KRWDZBQOSA-N -1 3 252.379 3.470 20 0 CGADHM [O-]c1cc(F)cc(CNc2ccc(-n3cccn3)cc2)c1 ZINC000184136961 374496367 /nfs/dbraw/zinc/49/63/67/374496367.db2.gz WBFRIGSXNKTDBO-UHFFFAOYSA-N -1 3 283.306 3.329 20 0 CGADHM COc1ccc(OC)c(NCc2cc([O-])cc(F)c2)c1 ZINC000184131503 374494879 /nfs/dbraw/zinc/49/48/79/374494879.db2.gz ZCMKSBNWPFZYTE-UHFFFAOYSA-N -1 3 277.295 3.161 20 0 CGADHM Cc1cc(C(=O)N2C[C@H](C(C)C)[C@@H]2C(C)C)ccc1[O-] ZINC000456324964 374514458 /nfs/dbraw/zinc/51/44/58/374514458.db2.gz HYTPQVHXAGMBMI-ZBFHGGJFSA-N -1 3 275.392 3.453 20 0 CGADHM C[C@@H](CN1CCCC[C@@H]1c1n[nH]c(=O)[n-]1)C1CCCCC1 ZINC000333638181 374612543 /nfs/dbraw/zinc/61/25/43/374612543.db2.gz BQIUCPUYXXQWEE-GXTWGEPZSA-N -1 3 292.427 3.254 20 0 CGADHM Cc1ocnc1C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000334348370 374672587 /nfs/dbraw/zinc/67/25/87/374672587.db2.gz YRGDZOZQUDQFTJ-UHFFFAOYSA-N -1 3 274.320 3.238 20 0 CGADHM CC(C)[C@]1(C)C[C@H]1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000458133602 374701309 /nfs/dbraw/zinc/70/13/09/374701309.db2.gz PKKUGALLUWELQJ-WBVHZDCISA-N -1 3 293.382 3.405 20 0 CGADHM O=C(Nc1cccc([O-])c1F)c1ccc(C2CC2)cn1 ZINC000334437827 374751852 /nfs/dbraw/zinc/75/18/52/374751852.db2.gz RXVJQQOYBZIUPX-UHFFFAOYSA-N -1 3 272.279 3.056 20 0 CGADHM O=C(Nc1ccc([O-])cc1F)[C@H]1CC12CCCCC2 ZINC000334419295 374733927 /nfs/dbraw/zinc/73/39/27/374733927.db2.gz ZEIIOSMIYHJMGH-LLVKDONJSA-N -1 3 263.312 3.440 20 0 CGADHM Cc1ccc(C2=CCN(C(=O)c3cccc([O-])c3)CC2)cn1 ZINC000334420619 374736367 /nfs/dbraw/zinc/73/63/67/374736367.db2.gz AFRYKGVQUXYXPX-UHFFFAOYSA-N -1 3 294.354 3.025 20 0 CGADHM Cc1cccc([O-])c1NC(=O)c1sccc1F ZINC000334460761 374770941 /nfs/dbraw/zinc/77/09/41/374770941.db2.gz NSSWEAIBMBERMK-UHFFFAOYSA-N -1 3 251.282 3.154 20 0 CGADHM Cc1nc(C(=O)Nc2cc(Cl)cc(C)c2[O-])c(C)o1 ZINC000334540487 374836061 /nfs/dbraw/zinc/83/60/61/374836061.db2.gz KPZZALJEIHIGEH-UHFFFAOYSA-N -1 3 280.711 3.211 20 0 CGADHM Cc1cc(Cl)ccc1NC(=O)NCc1ncccc1[O-] ZINC000334671181 374959759 /nfs/dbraw/zinc/95/97/59/374959759.db2.gz RBSWRVRWVJDYAS-UHFFFAOYSA-N -1 3 291.738 3.071 20 0 CGADHM CC(C)c1ccc(C(=O)N2CC[C@@H]2C2CC2)c([O-])c1 ZINC000334671557 374961354 /nfs/dbraw/zinc/96/13/54/374961354.db2.gz QUFUJLXTPLFPSR-CQSZACIVSA-N -1 3 259.349 3.140 20 0 CGADHM C[C@@H](NC(=O)c1c[n-]nc1-c1ccc(Cl)s1)C1CC1 ZINC000187481479 375028930 /nfs/dbraw/zinc/02/89/30/375028930.db2.gz GBSWCYFECKMVGH-SSDOTTSWSA-N -1 3 295.795 3.320 20 0 CGADHM CCC1(CC)CCN(C(=O)c2cccc3[n-]nnc32)CC1 ZINC000188872803 375285478 /nfs/dbraw/zinc/28/54/78/375285478.db2.gz XLMNNIHTDOCWBO-UHFFFAOYSA-N -1 3 286.379 3.000 20 0 CGADHM CCC1(CC)CCN(C(=O)c2cccc3nn[n-]c32)CC1 ZINC000188872803 375285487 /nfs/dbraw/zinc/28/54/87/375285487.db2.gz XLMNNIHTDOCWBO-UHFFFAOYSA-N -1 3 286.379 3.000 20 0 CGADHM CCC1(CC)CCN(C(=O)c2cccc3n[n-]nc32)CC1 ZINC000188872803 375285494 /nfs/dbraw/zinc/28/54/94/375285494.db2.gz XLMNNIHTDOCWBO-UHFFFAOYSA-N -1 3 286.379 3.000 20 0 CGADHM C[C@@H]([N-]S(=O)(=O)c1ccco1)[C@H](C)C1CCCCC1 ZINC000188744508 375262213 /nfs/dbraw/zinc/26/22/13/375262213.db2.gz VPBIEFHJXLQRIB-NWDGAFQWSA-N -1 3 285.409 3.163 20 0 CGADHM Cc1csc(C(=O)[N-]c2ncn(C(C)(C)C)n2)c1Cl ZINC000335747920 375396750 /nfs/dbraw/zinc/39/67/50/375396750.db2.gz PYJAUUMMVPYVMT-UHFFFAOYSA-N -1 3 298.799 3.309 20 0 CGADHM Cc1noc(C)c1C(C)(C)C(=O)Nc1cccc([O-])c1F ZINC000335752471 375400486 /nfs/dbraw/zinc/40/04/86/375400486.db2.gz GQDNMXHOWWXQQK-UHFFFAOYSA-N -1 3 292.310 3.052 20 0 CGADHM Cc1cccc(C(=O)Nc2cccc([O-])c2F)c1F ZINC000335767273 375412678 /nfs/dbraw/zinc/41/26/78/375412678.db2.gz VKKTVCPBJQBFRG-UHFFFAOYSA-N -1 3 263.243 3.231 20 0 CGADHM O=C(Nc1cccc([O-])c1F)c1c(F)ccc(F)c1F ZINC000335793400 375435526 /nfs/dbraw/zinc/43/55/26/375435526.db2.gz RYBZOWAXHDOIKP-UHFFFAOYSA-N -1 3 285.196 3.201 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])C1CC(F)(F)C1 ZINC000335933044 375548545 /nfs/dbraw/zinc/54/85/45/375548545.db2.gz MRXKBYZADRGKHK-UHFFFAOYSA-N -1 3 261.655 3.029 20 0 CGADHM Cc1oc(C2CC2)nc1C(=O)Nc1c(C)cccc1[O-] ZINC000335943116 375557942 /nfs/dbraw/zinc/55/79/42/375557942.db2.gz CEQMBQOBOQISPW-UHFFFAOYSA-N -1 3 272.304 3.127 20 0 CGADHM Cc1cc(C(=O)Nc2ncccc2[O-])c(C)n1C(C)C ZINC000191594649 375641927 /nfs/dbraw/zinc/64/19/27/375641927.db2.gz MVLOXPUQQMMTJT-UHFFFAOYSA-N -1 3 273.336 3.039 20 0 CGADHM CC[C@@H]1CCCN(Cc2c(F)ccc([O-])c2F)C1 ZINC000507545366 375713158 /nfs/dbraw/zinc/71/31/58/375713158.db2.gz DYJUOISECWEDRU-SNVBAGLBSA-N -1 3 255.308 3.292 20 0 CGADHM CN(CCc1ccc(F)cc1)Cc1c(F)ccc([O-])c1F ZINC000507637366 375717902 /nfs/dbraw/zinc/71/79/02/375717902.db2.gz POPSKDJEBMGZLM-UHFFFAOYSA-N -1 3 295.304 3.484 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])c1ncoc1C1CC1 ZINC000336160735 375737171 /nfs/dbraw/zinc/73/71/71/375737171.db2.gz STZXZFLEGOKADJ-UHFFFAOYSA-N -1 3 278.695 3.163 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N(C)Cc2ccc(Cl)cc2)n1 ZINC000192537174 375762690 /nfs/dbraw/zinc/76/26/90/375762690.db2.gz PZBIKJWNLDLYNT-NSHDSACASA-N -1 3 291.782 3.337 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)N(C)CCCc2ccccc2)n1 ZINC000192541294 375763192 /nfs/dbraw/zinc/76/31/92/375763192.db2.gz GRPHUAQCQACMEQ-CQSZACIVSA-N -1 3 285.391 3.116 20 0 CGADHM O=S(=O)([N-]c1ccc(Cl)cc1F)c1ccsc1 ZINC000334269148 206285085 /nfs/dbraw/zinc/28/50/85/206285085.db2.gz QILNWPIHIWPQBB-UHFFFAOYSA-N -1 3 291.756 3.341 20 0 CGADHM C[C@@H]1CCC[C@H](C)CN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000336526651 375806401 /nfs/dbraw/zinc/80/64/01/375806401.db2.gz JWPOTEHYDHDBLQ-QWHCGFSZSA-N -1 3 298.386 3.179 20 0 CGADHM Cc1c(NC(=O)c2cccc([O-])c2)cnn1C1CCCC1 ZINC000192991069 375812051 /nfs/dbraw/zinc/81/20/51/375812051.db2.gz JYOZPVBTNVVJHH-UHFFFAOYSA-N -1 3 285.347 3.265 20 0 CGADHM COc1cccc([C@H]2CCCN2C(=O)c2cccc([O-])c2)c1 ZINC000193036381 375818114 /nfs/dbraw/zinc/81/81/14/375818114.db2.gz CABMFSUJRGORTK-QGZVFWFLSA-N -1 3 297.354 3.378 20 0 CGADHM COc1ccc(C)cc1C[S@@](=O)c1ccc([O-])cc1 ZINC000519395541 375835430 /nfs/dbraw/zinc/83/54/30/375835430.db2.gz OVBNOEVUTHFORE-LJQANCHMSA-N -1 3 276.357 3.017 20 0 CGADHM CCc1oc(C(=O)[O-])cc1CN1CCC[C@H](CC)C1 ZINC000520416598 375855438 /nfs/dbraw/zinc/85/54/38/375855438.db2.gz LRSURTWTFXGTAN-NSHDSACASA-N -1 3 265.353 3.162 20 0 CGADHM CCc1cc(C(=O)Nc2nc(C)ccc2[O-])sc1C ZINC000345974190 217766751 /nfs/dbraw/zinc/76/67/51/217766751.db2.gz FPZQTSKNDQSFLD-UHFFFAOYSA-N -1 3 276.361 3.280 20 0 CGADHM O=C(c1cccc([O-])c1)N1CC=C(c2ccc(O)cc2)CC1 ZINC000193679529 375909105 /nfs/dbraw/zinc/90/91/05/375909105.db2.gz YZMFVTUMOUKZLZ-UHFFFAOYSA-N -1 3 295.338 3.027 20 0 CGADHM CC(=O)c1cc(C(=O)Nc2ccc(C)cc2[O-])ccc1C ZINC000193679436 375909290 /nfs/dbraw/zinc/90/92/90/375909290.db2.gz NADNWTNCKBECME-UHFFFAOYSA-N -1 3 283.327 3.464 20 0 CGADHM CC1(C)C[C@@H]1CN=c1[n-]c(C(F)(F)F)cs1 ZINC000336782857 375934557 /nfs/dbraw/zinc/93/45/57/375934557.db2.gz YVGOTGLFRQGPQV-ZCFIWIBFSA-N -1 3 250.289 3.042 20 0 CGADHM COc1ccc([C@@H](NC(=O)c2cccc([O-])c2)C2CC2)cc1 ZINC000193924221 375940621 /nfs/dbraw/zinc/94/06/21/375940621.db2.gz MQLWPNMOQKBWJT-KRWDZBQOSA-N -1 3 297.354 3.282 20 0 CGADHM Cc1nc(C(C)C)sc1[C@H](C)N(C)CCC(=O)[O-] ZINC000262032138 190047418 /nfs/dbraw/zinc/04/74/18/190047418.db2.gz XFCOZNJWNCDENV-JTQLQIEISA-N -1 3 270.398 3.042 20 0 CGADHM CCCC[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(C)o1 ZINC000536893095 376141058 /nfs/dbraw/zinc/14/10/58/376141058.db2.gz JUFCIYGNLFGSFZ-CHWSQXEVSA-N -1 3 285.409 3.225 20 0 CGADHM CCCC1(C(=O)N=c2cc(-c3ccccc3C)[n-][nH]2)CC1 ZINC000537120765 376149260 /nfs/dbraw/zinc/14/92/60/376149260.db2.gz HMYZFQKUEAZCRG-UHFFFAOYSA-N -1 3 283.375 3.326 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-]CCCC2CCCCC2)o1 ZINC000539109463 376295058 /nfs/dbraw/zinc/29/50/58/376295058.db2.gz SMYAJVWJZSSOQY-UHFFFAOYSA-N -1 3 285.409 3.227 20 0 CGADHM CC[C@@](C)(OC)c1noc(-c2cc(C)ccc2[O-])n1 ZINC000227832880 376415402 /nfs/dbraw/zinc/41/54/02/376415402.db2.gz KCJRJLZUMUHHLS-CQSZACIVSA-N -1 3 262.309 3.022 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-]C2CCC(C(C)C)CC2)o1 ZINC000540215854 376368107 /nfs/dbraw/zinc/36/81/07/376368107.db2.gz VHXKUYPSJHXTPG-UHFFFAOYSA-N -1 3 285.409 3.081 20 0 CGADHM Cc1cc(C(=O)N2CCC[C@@H]2C2CCCC2)ccc1[O-] ZINC000226717060 376370397 /nfs/dbraw/zinc/37/03/97/376370397.db2.gz YGBYCLKZXVTBQK-OAHLLOKOSA-N -1 3 273.376 3.495 20 0 CGADHM Cc1cc(C(=O)Nc2cccc(F)c2F)ccc1[O-] ZINC000227023112 376379024 /nfs/dbraw/zinc/37/90/24/376379024.db2.gz ODOLMQFAYGQANN-UHFFFAOYSA-N -1 3 263.243 3.231 20 0 CGADHM O=C([O-])CCCCN1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000263577294 190069560 /nfs/dbraw/zinc/06/95/60/190069560.db2.gz RJXGFZHATSOCRY-GFCCVEGCSA-N -1 3 297.782 3.048 20 0 CGADHM CC(C)(C)c1ccc([O-])c(NC(=O)c2cscn2)c1 ZINC000264031086 190089834 /nfs/dbraw/zinc/08/98/34/190089834.db2.gz MVXMSIPSYFMZMG-UHFFFAOYSA-N -1 3 276.361 3.399 20 0 CGADHM CC[C@@H](Cc1ccccc1)C(=O)Nc1nc(C)ccc1[O-] ZINC000542461832 376542710 /nfs/dbraw/zinc/54/27/10/376542710.db2.gz NZGGFEGNSOHENJ-AWEZNQCLSA-N -1 3 284.359 3.303 20 0 CGADHM CCCN(C(=O)c1cc([O-])ccc1Cl)C1CC1 ZINC000233048819 376594795 /nfs/dbraw/zinc/59/47/95/376594795.db2.gz BMPGKJIFFUFNNN-UHFFFAOYSA-N -1 3 253.729 3.060 20 0 CGADHM Cc1ccc(C(=O)N2CC[C@@H](c3cccc(F)c3)C2)c([O-])c1 ZINC000264274964 190100722 /nfs/dbraw/zinc/10/07/22/190100722.db2.gz NEWMGBBLFXSTIN-CQSZACIVSA-N -1 3 299.345 3.469 20 0 CGADHM CCSCC[C@@H](C)NC(=O)c1cc([O-])ccc1Cl ZINC000233818874 376602180 /nfs/dbraw/zinc/60/21/80/376602180.db2.gz PLNVYPYHCFXRQX-SECBINFHSA-N -1 3 287.812 3.307 20 0 CGADHM CC[C@H](C)[C@@H](C)NC(=O)c1cc([O-])ccc1Cl ZINC000234016370 376609587 /nfs/dbraw/zinc/60/95/87/376609587.db2.gz NDHXMDVDUXTSLM-DTWKUNHWSA-N -1 3 255.745 3.210 20 0 CGADHM O=C(Nc1ccc(Cl)cc1[O-])c1c[nH]c2ncccc12 ZINC000339006754 376625874 /nfs/dbraw/zinc/62/58/74/376625874.db2.gz ALDHKPRGJBANAG-UHFFFAOYSA-N -1 3 287.706 3.174 20 0 CGADHM COc1ccc(F)c(NC(=O)c2cc([O-])ccc2Cl)c1 ZINC000234969761 376626991 /nfs/dbraw/zinc/62/69/91/376626991.db2.gz FTDTVRBYRXAHGV-UHFFFAOYSA-N -1 3 295.697 3.446 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2ccccc2Br)n1 ZINC000339116971 376693176 /nfs/dbraw/zinc/69/31/76/376693176.db2.gz VKKZSVZJIVNMSL-SREVYHEPSA-N -1 3 291.148 3.424 20 0 CGADHM CCO[C@H](CC(=O)Nc1cc(Cl)ccc1[O-])C(C)C ZINC000340234379 376955447 /nfs/dbraw/zinc/95/54/47/376955447.db2.gz HADCGUFYGXNQPM-CYBMUJFWSA-N -1 3 285.771 3.435 20 0 CGADHM Cc1ccncc1C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000340329343 377004637 /nfs/dbraw/zinc/00/46/37/377004637.db2.gz OOKCLYICOFGBJO-UHFFFAOYSA-N -1 3 276.723 3.310 20 0 CGADHM O=C(Nc1ccc(Cl)cc1[O-])c1ccc2nccnc2c1 ZINC000340332200 377008025 /nfs/dbraw/zinc/00/80/25/377008025.db2.gz NGNLADWCQVHCCH-UHFFFAOYSA-N -1 3 299.717 3.241 20 0 CGADHM CC[C@H](C(=O)Nc1c([O-])cccc1Cl)N(CC)CC ZINC000558472512 377011593 /nfs/dbraw/zinc/01/15/93/377011593.db2.gz GQDLZYZQEDQHAW-LLVKDONJSA-N -1 3 284.787 3.105 20 0 CGADHM CCc1ccc(-c2ccc(CNCCC(=O)[O-])o2)cc1 ZINC000340686651 377217570 /nfs/dbraw/zinc/21/75/70/377217570.db2.gz WRMMCVWEHCPOIT-UHFFFAOYSA-N -1 3 273.332 3.073 20 0 CGADHM C[C@@H]1CCc2onc(-c3nc(-c4ccc([O-])cc4)no3)c2C1 ZINC000561909201 377251394 /nfs/dbraw/zinc/25/13/94/377251394.db2.gz FKVZMMMOXVCOKF-SECBINFHSA-N -1 3 297.314 3.222 20 0 CGADHM CCCN(Cc1cc(C(=O)[O-])oc1C)C[C@@H]1CCCCO1 ZINC000563278555 377431889 /nfs/dbraw/zinc/43/18/89/377431889.db2.gz XSRLNKZFWYQATC-AWEZNQCLSA-N -1 3 295.379 3.067 20 0 CGADHM C[C@@H](NC(=O)c1c([O-])cccc1O)[C@H](C)c1ccccc1 ZINC000092123843 249032225 /nfs/dbraw/zinc/03/22/25/249032225.db2.gz QNKQNSDKBJONTB-NWDGAFQWSA-N -1 3 285.343 3.020 20 0 CGADHM CCOC[C@@H]1CCCCN1C(=O)c1cc([O-])ccc1Cl ZINC000313464307 249092502 /nfs/dbraw/zinc/09/25/02/249092502.db2.gz VGEKXXYNBXCZJH-NSHDSACASA-N -1 3 297.782 3.077 20 0 CGADHM C[C@@H]1CCCC[C@@H]1CC(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000516842362 249245410 /nfs/dbraw/zinc/24/54/10/249245410.db2.gz GRCYUAVJYKWVIC-VXGBXAGGSA-N -1 3 299.378 3.022 20 0 CGADHM C[C@@H]1CCCC[C@@H]1CC(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000516842362 249245412 /nfs/dbraw/zinc/24/54/12/249245412.db2.gz GRCYUAVJYKWVIC-VXGBXAGGSA-N -1 3 299.378 3.022 20 0 CGADHM C[C@@H]1CCCC[C@@H]1CC(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000516842362 249245415 /nfs/dbraw/zinc/24/54/15/249245415.db2.gz GRCYUAVJYKWVIC-VXGBXAGGSA-N -1 3 299.378 3.022 20 0 CGADHM CCc1oc(C(=O)[O-])cc1CN1CCCC[C@H](SC)C1 ZINC000515489368 249213089 /nfs/dbraw/zinc/21/30/89/249213089.db2.gz CEAOQCHBKMCJSN-LBPRGKRZSA-N -1 3 297.420 3.258 20 0 CGADHM CCCc1ccc(-c2cc(=NC(=O)CC3CC3)[nH][n-]2)cc1 ZINC000515828889 249220662 /nfs/dbraw/zinc/22/06/62/249220662.db2.gz FLQHHWSMVRBLOY-UHFFFAOYSA-N -1 3 283.375 3.190 20 0 CGADHM C[C@@H]1CCCC[C@H]1CC(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000516384080 249232894 /nfs/dbraw/zinc/23/28/94/249232894.db2.gz FFXINXZRFHFEMN-MNOVXSKESA-N -1 3 288.351 3.220 20 0 CGADHM C[C@@H]1CCCC[C@H]1CC(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000516384080 249232895 /nfs/dbraw/zinc/23/28/95/249232895.db2.gz FFXINXZRFHFEMN-MNOVXSKESA-N -1 3 288.351 3.220 20 0 CGADHM C[C@@H]1CCCC[C@H]1CC(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000516384080 249232898 /nfs/dbraw/zinc/23/28/98/249232898.db2.gz FFXINXZRFHFEMN-MNOVXSKESA-N -1 3 288.351 3.220 20 0 CGADHM CC(C)N(Cc1cccc(C(=O)[O-])c1)Cc1ccccn1 ZINC000574738884 377701921 /nfs/dbraw/zinc/70/19/21/377701921.db2.gz KCEOXMGDTGWXLG-UHFFFAOYSA-N -1 3 284.359 3.190 20 0 CGADHM Cc1oc([C@@H](C)N2CCCC(C)(C)C2)cc1C(=O)[O-] ZINC000574816796 377713165 /nfs/dbraw/zinc/71/31/65/377713165.db2.gz UYUMTBBUVUUEKS-SNVBAGLBSA-N -1 3 265.353 3.469 20 0 CGADHM Cc1cc(C)c(NC(=O)/C=C\c2cncc([O-])c2)c(C)c1 ZINC000255126754 377734893 /nfs/dbraw/zinc/73/48/93/377734893.db2.gz MFLOMBUSSPMOGP-PLNGDYQASA-N -1 3 282.343 3.364 20 0 CGADHM Cc1cccc([C@H]2CCN(c3ccncc3C(=O)[O-])C2)c1 ZINC000575062587 377745581 /nfs/dbraw/zinc/74/55/81/377745581.db2.gz SEHKGHZBYDUWBK-AWEZNQCLSA-N -1 3 282.343 3.082 20 0 CGADHM CCc1cc(C(=O)N2CCC[C@@H]3CCC[C@H]32)ccc1[O-] ZINC000342752715 377772848 /nfs/dbraw/zinc/77/28/48/377772848.db2.gz LXHJNOKGHRUCAB-DZGCQCFKSA-N -1 3 273.376 3.359 20 0 CGADHM Cc1ccc([O-])c(CN2CCC(CC(F)(F)F)CC2)n1 ZINC000342835492 377826606 /nfs/dbraw/zinc/82/66/06/377826606.db2.gz GWAJJLSZNKMWRT-UHFFFAOYSA-N -1 3 288.313 3.260 20 0 CGADHM CC(C)Sc1cccc(Cl)c1CN[C@@H](C)C(=O)[O-] ZINC000263412557 377934154 /nfs/dbraw/zinc/93/41/54/377934154.db2.gz LYTSSXPUYQOEGZ-VIFPVBQESA-N -1 3 287.812 3.403 20 0 CGADHM C[C@@H]1CC[C@H](C(=O)[O-])CN1Cc1cccc(Cl)c1 ZINC000263476277 377941004 /nfs/dbraw/zinc/94/10/04/377941004.db2.gz FKQKPGWZXAGTKJ-PWSUYJOCSA-N -1 3 267.756 3.025 20 0 CGADHM CO[C@@H]1CCC[C@@H](C(=O)Nc2cc(Cl)ccc2[O-])C1 ZINC000343305346 377948949 /nfs/dbraw/zinc/94/89/49/377948949.db2.gz WYPNHUVWAUGIOY-MWLCHTKSSA-N -1 3 283.755 3.189 20 0 CGADHM C[C@H]1c2cc(Cl)cc(Cl)c2CCN1CCC(=O)[O-] ZINC000262903229 377911124 /nfs/dbraw/zinc/91/11/24/377911124.db2.gz XWGQMFOKAUSPLB-QMMMGPOBSA-N -1 3 288.174 3.387 20 0 CGADHM CN(CCOc1ccc(C(=O)[O-])cc1Cl)[C@@H]1CC1(C)C ZINC000578199855 378046138 /nfs/dbraw/zinc/04/61/38/378046138.db2.gz YTQUVMQSGRNKTN-CYBMUJFWSA-N -1 3 297.782 3.147 20 0 CGADHM CCCn1ncc(NCc2nc(C)ccc2[O-])c1C1CC1 ZINC000578217037 378046769 /nfs/dbraw/zinc/04/67/69/378046769.db2.gz LZNDOYWQXYENRG-UHFFFAOYSA-N -1 3 286.379 3.192 20 0 CGADHM O=C(C=C(C1CC1)C1CC1)Nc1cc(F)ccc1[O-] ZINC000268598094 378078945 /nfs/dbraw/zinc/07/89/45/378078945.db2.gz RLTXUFPKNFWYBS-UHFFFAOYSA-N -1 3 261.296 3.216 20 0 CGADHM CCC1(CC)[C@@H](OC)C[C@@H]1N(C)Cc1ccoc1C(=O)[O-] ZINC000579016425 378121906 /nfs/dbraw/zinc/12/19/06/378121906.db2.gz SBNSHQKRNJWOQC-STQMWFEESA-N -1 3 295.379 3.003 20 0 CGADHM CC(C)N(Cc1ccc(C(=O)[O-])cc1F)C1CCC1 ZINC000579364572 378153866 /nfs/dbraw/zinc/15/38/66/378153866.db2.gz NYVVTMDFPUVDJY-UHFFFAOYSA-N -1 3 265.328 3.287 20 0 CGADHM CC[C@@H](NC(=O)c1c[n-]nc1-c1ccccn1)[C@@H]1CC1(C)C ZINC000579209885 378140277 /nfs/dbraw/zinc/14/02/77/378140277.db2.gz LDERZAPIFUFIFK-QWHCGFSZSA-N -1 3 298.390 3.026 20 0 CGADHM CCC[C@H]1CCCN(Cc2cc(C(=O)[O-])oc2C)C1 ZINC000579247223 378143442 /nfs/dbraw/zinc/14/34/42/378143442.db2.gz KQDKPGYRXSCSNV-LBPRGKRZSA-N -1 3 265.353 3.298 20 0 CGADHM C[C@H](c1ccccc1)N(C)Cc1ccc(OCC(=O)[O-])cc1 ZINC000579961659 378211371 /nfs/dbraw/zinc/21/13/71/378211371.db2.gz MLARGWHBEKWFHP-CQSZACIVSA-N -1 3 299.370 3.343 20 0 CGADHM CCS[C@@H]1CC[C@H](N(C)Cc2cc(C(=O)[O-])c(C)o2)C1 ZINC000579484558 378166252 /nfs/dbraw/zinc/16/62/52/378166252.db2.gz PTKYOQPMYVUNCL-WCQYABFASA-N -1 3 297.420 3.392 20 0 CGADHM CCc1cc(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)ccc1C ZINC000580901737 378266730 /nfs/dbraw/zinc/26/67/30/378266730.db2.gz CLJISEKGVKSGRS-UHFFFAOYSA-N -1 3 297.358 3.183 20 0 CGADHM CCN(CC1CC1)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000345452191 378286981 /nfs/dbraw/zinc/28/69/81/378286981.db2.gz RRSXDYXOXHVJQI-UHFFFAOYSA-N -1 3 279.355 3.113 20 0 CGADHM CC(C)SCCNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000345518693 378303141 /nfs/dbraw/zinc/30/31/41/378303141.db2.gz RUFHALYMHVFJJO-UHFFFAOYSA-N -1 3 299.411 3.112 20 0 CGADHM CCOC(=O)c1ccc(NC(=O)CC[C@H](C)CC)c([O-])c1 ZINC000583515636 378327742 /nfs/dbraw/zinc/32/77/42/378327742.db2.gz LIFVZFFNPWCXFH-LLVKDONJSA-N -1 3 293.363 3.334 20 0 CGADHM [O-]c1ccc(CCCc2nc(-c3ccccn3)no2)cc1F ZINC000345663110 378338555 /nfs/dbraw/zinc/33/85/55/378338555.db2.gz HXRPIXHTATULEC-UHFFFAOYSA-N -1 3 299.305 3.152 20 0 CGADHM CC(C)C[C@H]1CCCCN1Cc1nc(C(=O)[O-])cs1 ZINC000583817955 378350329 /nfs/dbraw/zinc/35/03/29/378350329.db2.gz IVSWHXVLXUYUGY-LLVKDONJSA-N -1 3 282.409 3.242 20 0 CGADHM CC1(C)CCN(Cc2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC000583939936 378359471 /nfs/dbraw/zinc/35/94/71/378359471.db2.gz JYTPQCFTHUQFHS-UHFFFAOYSA-N -1 3 267.756 3.270 20 0 CGADHM CC(C)(C)n1cnc(C(=O)[N-]c2c(F)cccc2Cl)n1 ZINC000637101985 378458116 /nfs/dbraw/zinc/45/81/16/378458116.db2.gz KIDOSUQDXMGBFY-UHFFFAOYSA-N -1 3 296.733 3.078 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2cc(C)nc3ccccc32)n1 ZINC000345979211 378428431 /nfs/dbraw/zinc/42/84/31/378428431.db2.gz JCNWVMHIFAKEKP-UHFFFAOYSA-N -1 3 293.326 3.205 20 0 CGADHM Cc1ccccc1[C@@H]1CCN(C(=O)c2c([O-])cccc2O)C1 ZINC000271382706 378489306 /nfs/dbraw/zinc/48/93/06/378489306.db2.gz RTCBSWGERUBLSO-CYBMUJFWSA-N -1 3 297.354 3.036 20 0 CGADHM CC[C@@H]1C[C@H](c2nc(-c3ccc([O-])cc3)no2)CCO1 ZINC000272508041 378653224 /nfs/dbraw/zinc/65/32/24/378653224.db2.gz VQFJYPYIBHXHQV-DGCLKSJQSA-N -1 3 274.320 3.115 20 0 CGADHM COc1cc(C(=O)N[C@@H](C)[C@H](C)c2ccccc2)ccc1[O-] ZINC000272615783 378678317 /nfs/dbraw/zinc/67/83/17/378678317.db2.gz PFTFBLIWWFXZLG-STQMWFEESA-N -1 3 299.370 3.323 20 0 CGADHM Cc1cnc(C(C)(C)NC(=O)c2ccc([O-])c(C)c2)s1 ZINC000272665703 378684189 /nfs/dbraw/zinc/68/41/89/378684189.db2.gz PMUACTLGXMGULW-UHFFFAOYSA-N -1 3 290.388 3.131 20 0 CGADHM CCCCCN(CCCOC)C(=O)c1cccc([O-])c1 ZINC000273022160 378734625 /nfs/dbraw/zinc/73/46/25/378734625.db2.gz RNSFIPLTTCBCEF-UHFFFAOYSA-N -1 3 279.380 3.061 20 0 CGADHM O=C([N-]c1cc(F)cc(F)c1F)c1cn2ccnc2s1 ZINC000348111457 378797291 /nfs/dbraw/zinc/79/72/91/378797291.db2.gz BGPWMVPQODCFJZ-UHFFFAOYSA-N -1 3 297.261 3.065 20 0 CGADHM Cc1ncc(CN[C@H](C)c2ccc(Cl)s2)c(=O)[n-]1 ZINC000346805837 218019957 /nfs/dbraw/zinc/01/99/57/218019957.db2.gz JBFXOCDPTZTWDW-SSDOTTSWSA-N -1 3 283.784 3.056 20 0 CGADHM Cc1cc(C)c([C@@H](C)NCc2cnc(C)[n-]c2=O)cc1C ZINC000346812412 218021971 /nfs/dbraw/zinc/02/19/71/218021971.db2.gz WSLSYYYFVTXLBO-CYBMUJFWSA-N -1 3 285.391 3.267 20 0 CGADHM Cc1noc([N-]C(=O)[C@H](C)Oc2cccc(C)c2)c1C ZINC000266224607 190241380 /nfs/dbraw/zinc/24/13/80/190241380.db2.gz SAFHXHZTSBNEKG-LBPRGKRZSA-N -1 3 274.320 3.006 20 0 CGADHM C[C@@H]1CCN(C(=O)c2ccncc2F)c2c([O-])cccc21 ZINC000274404024 378826900 /nfs/dbraw/zinc/82/69/00/378826900.db2.gz SXNWZPKDONVLGD-SNVBAGLBSA-N -1 3 286.306 3.080 20 0 CGADHM COCCC[C@H](C)C(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000274411686 378827929 /nfs/dbraw/zinc/82/79/29/378827929.db2.gz VQXRPJSCRHVHGQ-OLZOCXBDSA-N -1 3 291.391 3.295 20 0 CGADHM [O-]c1cc(F)cc(CN2CCO[C@H](c3ccccc3)C2)c1 ZINC000274584217 378854790 /nfs/dbraw/zinc/85/47/90/378854790.db2.gz OBDGTFHKYMSJMW-KRWDZBQOSA-N -1 3 287.334 3.105 20 0 CGADHM O=C(c1cccc([O-])c1)N1CCC[C@H]1Cc1ccc(F)cc1 ZINC000370141908 378988253 /nfs/dbraw/zinc/98/82/53/378988253.db2.gz VREILAAVMOMRSJ-INIZCTEOSA-N -1 3 299.345 3.379 20 0 CGADHM CCC[C@H]1CCCN(C(=O)c2ccc([O-])c(OC)c2)C1 ZINC000276986648 379038456 /nfs/dbraw/zinc/03/84/56/379038456.db2.gz WRPIUULMRZBFPN-LBPRGKRZSA-N -1 3 277.364 3.053 20 0 CGADHM Cc1cc(NC(=O)CCCc2ccc([O-])c(F)c2)sn1 ZINC000348780169 379051695 /nfs/dbraw/zinc/05/16/95/379051695.db2.gz HGHPRFZYLSTMGN-UHFFFAOYSA-N -1 3 294.351 3.258 20 0 CGADHM O=C([O-])[C@H](NC[C@@H]1CC=CCC1)c1c(F)cccc1F ZINC000277166040 379086848 /nfs/dbraw/zinc/08/68/48/379086848.db2.gz DLQRISLEVNIJAQ-QMTHXVAHSA-N -1 3 281.302 3.036 20 0 CGADHM CC[C@H]1CCC[C@H](CNCc2nc(C(=O)[O-])cs2)C1 ZINC000277387053 379146627 /nfs/dbraw/zinc/14/66/27/379146627.db2.gz RBXXUCYKHAJWHV-QWRGUYRKSA-N -1 3 282.409 3.147 20 0 CGADHM CCOc1cc(-c2noc(C[C@H](C)SC)n2)ccc1[O-] ZINC000277781837 379234955 /nfs/dbraw/zinc/23/49/55/379234955.db2.gz DGSXCELRHQHEEX-VIFPVBQESA-N -1 3 294.376 3.135 20 0 CGADHM Cc1ccc(NC(=O)c2c[n-]nc2-c2ccncc2)c(C)c1 ZINC000349319277 379228522 /nfs/dbraw/zinc/22/85/22/379228522.db2.gz FCDZEFDAJFAPKG-UHFFFAOYSA-N -1 3 292.342 3.341 20 0 CGADHM Cc1ccc(NC(=O)c2cn[n-]c2-c2ccncc2)c(C)c1 ZINC000349319277 379228530 /nfs/dbraw/zinc/22/85/30/379228530.db2.gz FCDZEFDAJFAPKG-UHFFFAOYSA-N -1 3 292.342 3.341 20 0 CGADHM c1cc(N2CCCCC2)ncc1[N-]c1nnc(C2CC2)o1 ZINC000278465203 379396253 /nfs/dbraw/zinc/39/62/53/379396253.db2.gz TXVDYNFBFWFVDU-UHFFFAOYSA-N -1 3 285.351 3.076 20 0 CGADHM CN(Cc1ccns1)Cc1cc([O-])ccc1Cl ZINC000639810332 379596026 /nfs/dbraw/zinc/59/60/26/379596026.db2.gz UGXDPHWIKKIYMV-UHFFFAOYSA-N -1 3 268.769 3.134 20 0 CGADHM Cc1cc(C)n([C@H](C)Cc2nc(-c3ccc([O-])cc3)no2)n1 ZINC000350571388 379564152 /nfs/dbraw/zinc/56/41/52/379564152.db2.gz CGUZDOYCFNIFLD-GFCCVEGCSA-N -1 3 298.346 3.059 20 0 CGADHM COc1cncc(/C=C/c2nc(-c3ccc([O-])cc3)no2)c1 ZINC000350586394 379566640 /nfs/dbraw/zinc/56/66/40/379566640.db2.gz VLYZVGNECUYNFU-FARCUNLSSA-N -1 3 295.298 3.016 20 0 CGADHM Cc1ccc(-c2noc(-c3ccc(C(C)C)cc3[O-])n2)nn1 ZINC000351262315 379696061 /nfs/dbraw/zinc/69/60/61/379696061.db2.gz LMJNIYRTNOCNPU-UHFFFAOYSA-N -1 3 296.330 3.331 20 0 CGADHM C[C@H]1CCC[C@H]1NC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000280500146 379718405 /nfs/dbraw/zinc/71/84/05/379718405.db2.gz KWLMDZFFXRHCEH-QPUJVOFHSA-N -1 3 287.281 3.329 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)S[C@H](C)C(=O)OC(C)(C)C)n1 ZINC000280845873 379805689 /nfs/dbraw/zinc/80/56/89/379805689.db2.gz BCPWUCRWCLZRTL-NXEZZACHSA-N -1 3 298.408 3.015 20 0 CGADHM Cc1cnc(CCN(C)Cc2c(F)ccc([O-])c2F)s1 ZINC000280714433 379770636 /nfs/dbraw/zinc/77/06/36/379770636.db2.gz BMZHEPOULFCZHN-UHFFFAOYSA-N -1 3 298.358 3.110 20 0 CGADHM CC[C@@H]1CCCCN1CCNCc1c(F)ccc([O-])c1F ZINC000352490775 379836132 /nfs/dbraw/zinc/83/61/32/379836132.db2.gz LDIXGMNTCJIINS-GFCCVEGCSA-N -1 3 298.377 3.025 20 0 CGADHM CCO[C@H]1C[C@H](NCc2c(F)ccc([O-])c2F)C12CCC2 ZINC000352570324 379862505 /nfs/dbraw/zinc/86/25/05/379862505.db2.gz FZDBSAFVNPDKRP-KBPBESRZSA-N -1 3 297.345 3.108 20 0 CGADHM C[C@@H]1CC[C@@H](C(=O)N2CCCc3cccc([O-])c32)C1 ZINC000352662818 379899985 /nfs/dbraw/zinc/89/99/85/379899985.db2.gz BNJMCYPZVQBSDC-DGCLKSJQSA-N -1 3 259.349 3.108 20 0 CGADHM Cc1ccc(NC(=O)[C@H](C)CC(F)(F)F)c([O-])c1 ZINC000402514037 379967428 /nfs/dbraw/zinc/96/74/28/379967428.db2.gz JZHRKDDQGLCTSR-MRVPVSSYSA-N -1 3 261.243 3.228 20 0 CGADHM Cc1ccc([O-])c(C(=O)N(C)C[C@H]2CC=CCC2)c1 ZINC000402732278 379971989 /nfs/dbraw/zinc/97/19/89/379971989.db2.gz GWVOCQXQMAWWHK-ZDUSSCGKSA-N -1 3 259.349 3.129 20 0 CGADHM C[C@H](CCC1CC1)NC(=O)Cc1ccc([O-])cc1Cl ZINC000347854202 218377515 /nfs/dbraw/zinc/37/75/15/218377515.db2.gz YFVZFLPDCNIJHQ-SNVBAGLBSA-N -1 3 281.783 3.283 20 0 CGADHM CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(C)cc1F ZINC000404853910 379984313 /nfs/dbraw/zinc/98/43/13/379984313.db2.gz ADUGQUBGNPDUDH-TZMCWYRMSA-N -1 3 299.411 3.381 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CC23CCCCC3)c(F)c1 ZINC000404867345 379985202 /nfs/dbraw/zinc/98/52/02/379985202.db2.gz CSPGPPVEXZPQDW-CQSZACIVSA-N -1 3 297.395 3.135 20 0 CGADHM CC(C)(Cc1nc(-c2ccc([O-])cc2)no1)C1CC1 ZINC000405876470 379986167 /nfs/dbraw/zinc/98/61/67/379986167.db2.gz JPUJQSHZXYUHHD-UHFFFAOYSA-N -1 3 258.321 3.421 20 0 CGADHM CCS[C@H]1CC[C@H](N(C)Cc2ccoc2C(=O)[O-])C1 ZINC000571453274 322299253 /nfs/dbraw/zinc/29/92/53/322299253.db2.gz POBKFZBXXLYRDP-RYUDHWBXSA-N -1 3 283.393 3.084 20 0 CGADHM O=C(c1cc([O-])ccc1Cl)N1CCCC[C@@H]1C(F)F ZINC000353020302 380076979 /nfs/dbraw/zinc/07/69/79/380076979.db2.gz HUOPEQOBUINBCC-LLVKDONJSA-N -1 3 289.709 3.305 20 0 CGADHM CC(C)=CCSc1nc(=O)cc([O-])n1C1CCCC1 ZINC000283797274 380091376 /nfs/dbraw/zinc/09/13/76/380091376.db2.gz GJCGRVAIFWAXLI-UHFFFAOYSA-N -1 3 280.393 3.122 20 0 CGADHM COCC[C@@H](NC(=O)c1cc([O-])ccc1Cl)C(C)(C)C ZINC000353227741 380176322 /nfs/dbraw/zinc/17/63/22/380176322.db2.gz ANNVXNSHBOKISQ-CYBMUJFWSA-N -1 3 299.798 3.227 20 0 CGADHM Cc1cccc(COc2cc3occ([O-])c3c(C)c2)c1 ZINC000642609619 380179380 /nfs/dbraw/zinc/17/93/80/380179380.db2.gz WQFBYERBQDGODV-UHFFFAOYSA-N -1 3 268.312 3.458 20 0 CGADHM Cc1cc(C(=O)N2Cc3ccccc3OC[C@@H]2C)ccc1[O-] ZINC000436745031 291747827 /nfs/dbraw/zinc/74/78/27/291747827.db2.gz ACPRGJREOGDASH-ZDUSSCGKSA-N -1 3 297.354 3.124 20 0 CGADHM CC[C@@H](C)N(CC(=O)[O-])Cc1cc2cc(OC)ccc2o1 ZINC000414683701 380373260 /nfs/dbraw/zinc/37/32/60/380373260.db2.gz PQOLFPSKGCUZAF-LLVKDONJSA-N -1 3 291.347 3.127 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2cccc(NC(C)=O)c2)c1 ZINC000354144313 380341788 /nfs/dbraw/zinc/34/17/88/380341788.db2.gz ZKDNIYWIXRCARU-UHFFFAOYSA-N -1 3 298.342 3.165 20 0 CGADHM O=C([O-])c1cccc(CN2CC[C@@H](Nc3ccccc3)C2)c1 ZINC000414635937 380348747 /nfs/dbraw/zinc/34/87/47/380348747.db2.gz JAHBBXYFJRTLEB-QGZVFWFLSA-N -1 3 296.370 3.071 20 0 CGADHM CCc1cccc(Cl)c1CN(C)CCCC(=O)[O-] ZINC000414640050 380350786 /nfs/dbraw/zinc/35/07/86/380350786.db2.gz QSRSGLAGEJXPCH-UHFFFAOYSA-N -1 3 269.772 3.199 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)N[C@@H](C)c2c(F)cccc2F)n1 ZINC000279066999 194270618 /nfs/dbraw/zinc/27/06/18/194270618.db2.gz JOQJSDIOVBBLNA-VHSXEESVSA-N -1 3 293.317 3.181 20 0 CGADHM Cc1cc(C(=O)Nc2nc(-c3ccc[nH]3)cs2)ccc1[O-] ZINC000354403687 380426769 /nfs/dbraw/zinc/42/67/69/380426769.db2.gz NKSZENHJCRYVCO-UHFFFAOYSA-N -1 3 299.355 3.405 20 0 CGADHM CCc1cc(C(=O)N2CCc3ccc(C)cc32)ccc1[O-] ZINC000643968150 380402783 /nfs/dbraw/zinc/40/27/83/380402783.db2.gz XFNZPROQFJQHGQ-UHFFFAOYSA-N -1 3 281.355 3.466 20 0 CGADHM Cc1ccc([O-])c(CN(C)c2ccc3cc[nH]c3c2)n1 ZINC000355337692 380648424 /nfs/dbraw/zinc/64/84/24/380648424.db2.gz REBDLASJXIZUMI-UHFFFAOYSA-N -1 3 267.332 3.213 20 0 CGADHM CCc1cnc(CNC[C@]2(CC(=O)[O-])CC[C@H](C)C2)s1 ZINC000417565308 380639778 /nfs/dbraw/zinc/63/97/78/380639778.db2.gz LUDKBPVDMAJAMV-XHDPSFHLSA-N -1 3 296.436 3.076 20 0 CGADHM CCc1nc(CNC[C@@]2(CC(=O)[O-])CC[C@@H](C)C2)cs1 ZINC000417564034 380640206 /nfs/dbraw/zinc/64/02/06/380640206.db2.gz KFPSNVCJNYCEPN-ABAIWWIYSA-N -1 3 296.436 3.076 20 0 CGADHM C[C@H](NCc1cccc(Cl)c1Cl)[C@H](C)C(=O)[O-] ZINC000417596599 380646940 /nfs/dbraw/zinc/64/69/40/380646940.db2.gz AKBWAPYXYWFBBL-YUMQZZPRSA-N -1 3 276.163 3.192 20 0 CGADHM Cc1ccc([O-])c(NC(=O)C[C@@H]2C[C@H]2c2ccccc2)n1 ZINC000355512968 380693990 /nfs/dbraw/zinc/69/39/90/380693990.db2.gz YXKSJLQABANLGB-KBPBESRZSA-N -1 3 282.343 3.228 20 0 CGADHM Cc1cccc(CNC[C@H](CC(=O)[O-])C(F)(F)F)c1C ZINC000417620847 380654601 /nfs/dbraw/zinc/65/46/01/380654601.db2.gz GTRZMVZRPLLJEO-LBPRGKRZSA-N -1 3 289.297 3.046 20 0 CGADHM O=C([O-])C[C@H](CNCc1cccc(Cl)c1)C(F)(F)F ZINC000417626349 380656770 /nfs/dbraw/zinc/65/67/70/380656770.db2.gz MWMMBAVFKBJURZ-SECBINFHSA-N -1 3 295.688 3.083 20 0 CGADHM CC(C)(C)CC[C@H](NCc1c(F)cccc1F)C(=O)[O-] ZINC000417630616 380658251 /nfs/dbraw/zinc/65/82/51/380658251.db2.gz CXHUEUWHGXPRIG-ZDUSSCGKSA-N -1 3 285.334 3.334 20 0 CGADHM Cc1cc(C(=O)N2CCC[C@]3(CCSC3)C2)ccc1[O-] ZINC000334765144 207039753 /nfs/dbraw/zinc/03/97/53/207039753.db2.gz YRMSXMXJCBMSFT-INIZCTEOSA-N -1 3 291.416 3.060 20 0 CGADHM CCc1ccc(C(=O)N2CCC(C(F)F)CC2)c([O-])c1 ZINC000334772292 207049368 /nfs/dbraw/zinc/04/93/68/207049368.db2.gz DOUNDIHNHAZILS-UHFFFAOYSA-N -1 3 283.318 3.072 20 0 CGADHM C[C@@H](C1CC1)n1cc([N-]S(=O)(=O)CCC(C)(C)C)cn1 ZINC000357105328 381030440 /nfs/dbraw/zinc/03/04/40/381030440.db2.gz NVRHDZIIOVGPIH-NSHDSACASA-N -1 3 299.440 3.032 20 0 CGADHM CCC1CCN(C(=O)Cc2ccc([O-])cc2Cl)CC1 ZINC000357179600 381056447 /nfs/dbraw/zinc/05/64/47/381056447.db2.gz BXJJSROZXIFTNQ-UHFFFAOYSA-N -1 3 281.783 3.237 20 0 CGADHM CCC(C)(C)N(C)C(=O)Cc1ccc([O-])cc1Cl ZINC000357295472 381095051 /nfs/dbraw/zinc/09/50/51/381095051.db2.gz WBMRUABIQCSJKY-UHFFFAOYSA-N -1 3 269.772 3.235 20 0 CGADHM C[C@H](NC(=O)c1cccc([O-])c1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000357302437 381097737 /nfs/dbraw/zinc/09/77/37/381097737.db2.gz JRAJNSPNMLBNAT-PRXAMGSTSA-N -1 3 297.354 3.075 20 0 CGADHM CCOc1cccc([C@H]2C[C@H]2NC(=O)c2cccc([O-])c2)c1 ZINC000357470533 381171344 /nfs/dbraw/zinc/17/13/44/381171344.db2.gz DJXOBGRMRRVCIJ-IAGOWNOFSA-N -1 3 297.354 3.077 20 0 CGADHM COc1cc(C(=O)N[C@H](C)CCCC(C)C)ccc1[O-] ZINC000357598712 381225078 /nfs/dbraw/zinc/22/50/78/381225078.db2.gz UXYOVQPJQRDXGG-GFCCVEGCSA-N -1 3 279.380 3.345 20 0 CGADHM COc1ccc([O-])c(C(=O)N2CC[C@@]3(CC[C@@H](C)C3)C2)c1 ZINC000360680569 381614639 /nfs/dbraw/zinc/61/46/39/381614639.db2.gz MHMLUQKTMDYSHI-SJKOYZFVSA-N -1 3 289.375 3.053 20 0 CGADHM CC(C)(C(=O)Nc1ccc([O-])cc1F)C1CCC(O)CC1 ZINC000334887063 207246557 /nfs/dbraw/zinc/24/65/57/207246557.db2.gz UFQRTZKNSJDFFI-UHFFFAOYSA-N -1 3 295.354 3.047 20 0 CGADHM CC(C)c1cc(C(=O)[N-]c2cc(F)c(F)c(F)c2)on1 ZINC000334909006 207276898 /nfs/dbraw/zinc/27/68/98/207276898.db2.gz HBEWZZPPRVXHGT-UHFFFAOYSA-N -1 3 284.237 3.468 20 0 CGADHM CCSc1cccc(F)c1[N-]C(=O)c1cncnc1C ZINC000362179258 381898356 /nfs/dbraw/zinc/89/83/56/381898356.db2.gz FKLFWUBBZPUAOL-UHFFFAOYSA-N -1 3 291.351 3.288 20 0 CGADHM O=C(Nc1nnc(-c2cc3ccccc3o2)[n-]1)c1ccoc1 ZINC000362259242 381922932 /nfs/dbraw/zinc/92/29/32/381922932.db2.gz DBWHFDSLQPVNHF-UHFFFAOYSA-N -1 3 294.270 3.063 20 0 CGADHM O=C(Nc1nc(-c2cc3ccccc3o2)n[n-]1)c1ccoc1 ZINC000362259242 381922938 /nfs/dbraw/zinc/92/29/38/381922938.db2.gz DBWHFDSLQPVNHF-UHFFFAOYSA-N -1 3 294.270 3.063 20 0 CGADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)c1ccoc1 ZINC000362259242 381922941 /nfs/dbraw/zinc/92/29/41/381922941.db2.gz DBWHFDSLQPVNHF-UHFFFAOYSA-N -1 3 294.270 3.063 20 0 CGADHM C[C@@H](CC(=O)[O-])NCc1ccc(-c2ccccc2F)o1 ZINC000362344787 381950031 /nfs/dbraw/zinc/95/00/31/381950031.db2.gz AMZKPJIURQZYNP-JTQLQIEISA-N -1 3 277.295 3.039 20 0 CGADHM CCc1cc(C(=O)N2C[C@H](C)CC[C@@H]2C)ccc1[O-] ZINC000362866746 382134381 /nfs/dbraw/zinc/13/43/81/382134381.db2.gz HASWHFPFCDVDFT-NEPJUHHUSA-N -1 3 261.365 3.215 20 0 CGADHM CCc1cc(C(=O)Nc2ccnc3ccncc32)ccc1[O-] ZINC000362871174 382135350 /nfs/dbraw/zinc/13/53/50/382135350.db2.gz CFQZKQSQYAQZEE-UHFFFAOYSA-N -1 3 293.326 3.150 20 0 CGADHM CCc1cc(=O)[n-]c(CN2CCC[C@H]2CCC(C)C)n1 ZINC000362947815 382160153 /nfs/dbraw/zinc/16/01/53/382160153.db2.gz CSLQUPWJGVDTJS-AWEZNQCLSA-N -1 3 277.412 3.145 20 0 CGADHM COc1ccccc1[C@H](NCc1cc(C)ccc1C)C(=O)[O-] ZINC000426819158 533020554 /nfs/dbraw/zinc/02/05/54/533020554.db2.gz USRQNIZMCSRJMC-KRWDZBQOSA-N -1 3 299.370 3.228 20 0 CGADHM CCCc1nnc(NC(=O)c2cc([O-])ccc2Cl)s1 ZINC000289375818 197319141 /nfs/dbraw/zinc/31/91/41/197319141.db2.gz BDANRCKGMLBMTH-UHFFFAOYSA-N -1 3 297.767 3.102 20 0 CGADHM CCC(C)(C)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000280958987 542382773 /nfs/dbraw/zinc/38/27/73/542382773.db2.gz YAXVMNPFPOBKHW-UHFFFAOYSA-N -1 3 257.333 3.464 20 0 CGADHM O=C(NCC[C@H]1CCCCO1)c1cc([O-])c2ccccc2c1 ZINC000279392112 542378978 /nfs/dbraw/zinc/37/89/78/542378978.db2.gz AAYPPAYFLUGEQV-OAHLLOKOSA-N -1 3 299.370 3.234 20 0 CGADHM CC[C@H]1CO[C@H](C)CN1C(=O)c1cc([O-])c2ccccc2c1 ZINC000280190807 542381121 /nfs/dbraw/zinc/38/11/21/542381121.db2.gz DJBUIKALVBAREZ-DOMZBBRYSA-N -1 3 299.370 3.185 20 0 CGADHM O=C(c1cc([O-])c2ccccc2c1)N1C[C@H]2CCC[C@@H]2C1 ZINC000280208582 542381419 /nfs/dbraw/zinc/38/14/19/542381419.db2.gz FMQPZKQFMSSTEL-ZIAGYGMSSA-N -1 3 281.355 3.418 20 0 CGADHM CCCc1nc(-c2noc(-c3ccc(C)cc3[O-])n2)co1 ZINC000288991943 197208866 /nfs/dbraw/zinc/20/88/66/197208866.db2.gz CNQBFRAURRRIKQ-UHFFFAOYSA-N -1 3 285.303 3.358 20 0 CGADHM COCc1nc(C(=O)[N-]c2ncsc2C(C)C)cs1 ZINC000288771336 197162284 /nfs/dbraw/zinc/16/22/84/197162284.db2.gz GHENOSJJMQCVBU-UHFFFAOYSA-N -1 3 297.405 3.122 20 0 CGADHM C[C@@H]1CCN(Cc2ccc(F)c(Cl)c2)[C@H](C(=O)[O-])C1 ZINC000300066846 542411590 /nfs/dbraw/zinc/41/15/90/542411590.db2.gz KALTWTONPZFKRB-RNCFNFMXSA-N -1 3 285.746 3.164 20 0 CGADHM Cc1ccc(CN2CC[C@H](C)C[C@H]2C(=O)[O-])c(Cl)c1 ZINC000300249083 542411969 /nfs/dbraw/zinc/41/19/69/542411969.db2.gz ZLHUKAKIAJAHGG-FZMZJTMJSA-N -1 3 281.783 3.334 20 0 CGADHM CC[C@H]1CCN(C(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000350116210 542530580 /nfs/dbraw/zinc/53/05/80/542530580.db2.gz OKCURGGZDNQPLC-LBPRGKRZSA-N -1 3 269.344 3.418 20 0 CGADHM CC1(C)C[C@@H]1CNC(=O)c1cc([O-])c2ccccc2c1 ZINC000354402886 542562866 /nfs/dbraw/zinc/56/28/66/542562866.db2.gz QSICUGVTKHKHAG-CYBMUJFWSA-N -1 3 269.344 3.321 20 0 CGADHM CCc1cc(NC(=O)c2cc([O-])c3ccccc3c2)n(C)n1 ZINC000354443034 542562925 /nfs/dbraw/zinc/56/29/25/542562925.db2.gz YGPLXXNPGDAXKI-UHFFFAOYSA-N -1 3 295.342 3.094 20 0 CGADHM O=C(N[C@H]1CC=CCC1)c1cc([O-])c2ccccc2c1 ZINC000354368370 542562749 /nfs/dbraw/zinc/56/27/49/542562749.db2.gz OECPIZUZWLCZOA-AWEZNQCLSA-N -1 3 267.328 3.384 20 0 CGADHM CC[C@H](NC(=O)c1cc([O-])c2ccccc2c1)[C@H]1CCCO1 ZINC000355266467 542565418 /nfs/dbraw/zinc/56/54/18/542565418.db2.gz NGTKVIPJRSJKIO-DOTOQJQBSA-N -1 3 299.370 3.233 20 0 CGADHM CCCCCN(C(=O)/C=C/c1cncc([O-])c1)C(C)C ZINC000179443505 260049183 /nfs/dbraw/zinc/04/91/83/260049183.db2.gz IKZIYUBVOXTXBV-BQYQJAHWSA-N -1 3 276.380 3.228 20 0 CGADHM COc1cccc(C(=O)NC2(C)CCC(C)CC2)c1[O-] ZINC000436924045 533404975 /nfs/dbraw/zinc/40/49/75/533404975.db2.gz FPYUBQCKTNWGLM-UHFFFAOYSA-N -1 3 277.364 3.099 20 0 CGADHM Cc1ccc(C(=O)Nc2cccc3c2OCCC3)c([O-])c1 ZINC000436587929 533614493 /nfs/dbraw/zinc/61/44/93/533614493.db2.gz XZCPONZXNDWFNX-UHFFFAOYSA-N -1 3 283.327 3.278 20 0 CGADHM C[C@@H]1CCCC[C@H]1CN1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000394873633 542614646 /nfs/dbraw/zinc/61/46/46/542614646.db2.gz BBZXOMBLOVRAQB-JKIFEVAISA-N -1 3 287.403 3.497 20 0 CGADHM COCCCCN(C)C(=O)c1cc([O-])c2ccccc2c1 ZINC000416341401 542643386 /nfs/dbraw/zinc/64/33/86/542643386.db2.gz WXRFXUFCODXLKZ-UHFFFAOYSA-N -1 3 287.359 3.044 20 0 CGADHM Cc1ccc(F)c(S(=O)(=O)[N-][C@@H]2CCC[C@H](C)[C@H]2C)c1 ZINC000032402593 391969013 /nfs/dbraw/zinc/96/90/13/391969013.db2.gz YWRHKIBANIVBKT-OUCADQQQSA-N -1 3 299.411 3.237 20 0 CGADHM COc1ccc([O-])c(C(=O)N[C@@H](C)C2CCCCC2)c1 ZINC000052343706 392078297 /nfs/dbraw/zinc/07/82/97/392078297.db2.gz MEOJCERNGSQMHO-NSHDSACASA-N -1 3 277.364 3.099 20 0 CGADHM Cc1ccc(NC(=O)Cc2cc(C)ccc2C)c([O-])c1 ZINC000053144461 392082137 /nfs/dbraw/zinc/08/21/37/392082137.db2.gz VOUYSVSPTPJZMX-UHFFFAOYSA-N -1 3 269.344 3.499 20 0 CGADHM C[C@H](Cc1cccc(F)c1)C(=O)Nc1ccccc1[O-] ZINC000049288002 392042524 /nfs/dbraw/zinc/04/25/24/392042524.db2.gz OHRHVTUHASLOIP-LLVKDONJSA-N -1 3 273.307 3.349 20 0 CGADHM Cc1ccccc1C[C@H](C)NC(=O)c1ccccc1[O-] ZINC000049349982 392044417 /nfs/dbraw/zinc/04/44/17/392044417.db2.gz YMERBCBUYQGTJL-ZDUSSCGKSA-N -1 3 269.344 3.062 20 0 CGADHM CCCCN(C(=O)c1ccc(OC)cc1[O-])[C@H](C)CC ZINC000055487506 392099376 /nfs/dbraw/zinc/09/93/76/392099376.db2.gz ZFNLTTNIQRUVMK-GFCCVEGCSA-N -1 3 279.380 3.442 20 0 CGADHM O=c1[nH]c(Cc2cccc(Cl)c2)nc2ccc([O-])cc12 ZINC000436925229 542658438 /nfs/dbraw/zinc/65/84/38/542658438.db2.gz IAABLVBSZXAJAN-UHFFFAOYSA-N -1 3 286.718 3.285 20 0 CGADHM CC[C@@H](C)[C@@H](C)C(=O)Nc1ccc(OC)cc1[O-] ZINC000443565918 542666395 /nfs/dbraw/zinc/66/63/95/542666395.db2.gz JOZCGKOLXQRVGS-NXEZZACHSA-N -1 3 251.326 3.022 20 0 CGADHM COc1ccc(NC(=O)[C@H]2CCCC2(C)C)c([O-])c1 ZINC000443555220 542666802 /nfs/dbraw/zinc/66/68/02/542666802.db2.gz CTIRRWZQIIZHRS-LLVKDONJSA-N -1 3 263.337 3.166 20 0 CGADHM COc1ccc(NC(=O)Cc2cccc(Cl)c2)c([O-])c1 ZINC000443556010 542666923 /nfs/dbraw/zinc/66/69/23/542666923.db2.gz FTYPVXDCTPPXQG-UHFFFAOYSA-N -1 3 291.734 3.235 20 0 CGADHM CC[C@H](NC(=O)c1cc([O-])c2ccccc2c1)C(F)F ZINC000452264404 542677245 /nfs/dbraw/zinc/67/72/45/542677245.db2.gz MRTDTQWVRKRQGP-LBPRGKRZSA-N -1 3 279.286 3.319 20 0 CGADHM CSCCON=C([O-])Nc1cc(C)c(F)cc1Cl ZINC000287370853 392397863 /nfs/dbraw/zinc/39/78/63/392397863.db2.gz ZCJDQLYFIHFQAR-UHFFFAOYSA-N -1 3 292.763 3.204 20 0 CGADHM CSCCO[N-]C(=O)Nc1cc(C)c(F)cc1Cl ZINC000287370853 392397866 /nfs/dbraw/zinc/39/78/66/392397866.db2.gz ZCJDQLYFIHFQAR-UHFFFAOYSA-N -1 3 292.763 3.204 20 0 CGADHM CC[C@H](C)CON=C([O-])Nc1nc2ccccc2s1 ZINC000291780900 392480402 /nfs/dbraw/zinc/48/04/02/392480402.db2.gz NTCIRUHGOPYUIG-VIFPVBQESA-N -1 3 279.365 3.396 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)Nc1nc2ccccc2s1 ZINC000291780900 392480406 /nfs/dbraw/zinc/48/04/06/392480406.db2.gz NTCIRUHGOPYUIG-VIFPVBQESA-N -1 3 279.365 3.396 20 0 CGADHM CC(C)(C)C1CC(C(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000457668475 392727016 /nfs/dbraw/zinc/72/70/16/392727016.db2.gz MUYFTQUXTSHBFR-UHFFFAOYSA-N -1 3 279.355 3.220 20 0 CGADHM C[C@@H](NC(=O)c1cccc([O-])c1)[C@H](C)c1ccccc1 ZINC000182547678 392746270 /nfs/dbraw/zinc/74/62/70/392746270.db2.gz YEAGKVSUUUZHQB-QWHCGFSZSA-N -1 3 269.344 3.314 20 0 CGADHM O=C(Nc1cccc2c1CN(C1CC1)C2)c1cccc([O-])c1 ZINC000375245172 392752847 /nfs/dbraw/zinc/75/28/47/392752847.db2.gz KWAIOSBHHCMSQN-UHFFFAOYSA-N -1 3 294.354 3.123 20 0 CGADHM CCN(CC1CC1)C(=O)c1c[n-]c2c(C)cccc2c1=O ZINC000185476183 392772269 /nfs/dbraw/zinc/77/22/69/392772269.db2.gz BBFFNDBVMIGVGX-UHFFFAOYSA-N -1 3 284.359 3.121 20 0 CGADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CC[C@H]1C(F)(F)F ZINC000647752086 392791884 /nfs/dbraw/zinc/79/18/84/392791884.db2.gz QXPOBHJMKODXKJ-ZDUSSCGKSA-N -1 3 299.292 3.048 20 0 CGADHM C[C@H]1CCC[C@H](NC(=O)c2c[n-]c3ccccc3c2=O)CC1 ZINC000188918122 392803063 /nfs/dbraw/zinc/80/30/63/392803063.db2.gz QASKVGFQWFTVIF-STQMWFEESA-N -1 3 298.386 3.227 20 0 CGADHM O=C(Nc1ccc([O-])cc1F)c1cc2sccc2[nH]1 ZINC000192205031 392844231 /nfs/dbraw/zinc/84/42/31/392844231.db2.gz GUPLTCGOERTZNF-UHFFFAOYSA-N -1 3 276.292 3.326 20 0 CGADHM C[C@@H]1CCN(C(=O)[C@@H]2CCCSC2)c2c([O-])cccc21 ZINC000336100573 392834188 /nfs/dbraw/zinc/83/41/88/392834188.db2.gz ZNMLMYPFBXOVCN-VXGBXAGGSA-N -1 3 291.416 3.376 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)N(C1CC1)C1CCCCC1 ZINC000648178819 392926739 /nfs/dbraw/zinc/92/67/39/392926739.db2.gz KGKHRJWSLWKNBO-UHFFFAOYSA-N -1 3 291.366 3.398 20 0 CGADHM Cc1cccc2c(Cc3nc4cccnc4c(=O)[n-]3)c[nH]c21 ZINC000491720810 542718155 /nfs/dbraw/zinc/71/81/55/542718155.db2.gz PFLHEGVICKOUBT-UHFFFAOYSA-N -1 3 290.326 3.111 20 0 CGADHM Cc1ccc2[n-]cc(C(=O)N(C)C3CCCCC3)c(=O)c2c1 ZINC000346815213 393096999 /nfs/dbraw/zinc/09/69/99/393096999.db2.gz NQIVBAXNMJAAJN-UHFFFAOYSA-N -1 3 298.386 3.241 20 0 CGADHM CC(C)[C@H]1CCN(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000469216031 393182904 /nfs/dbraw/zinc/18/29/04/393182904.db2.gz JRMJNPKZJFJWIM-AWEZNQCLSA-N -1 3 293.382 3.359 20 0 CGADHM Cc1noc(C)c1[C@H](C)C(=O)Nc1c([O-])cccc1Cl ZINC000646488420 393292724 /nfs/dbraw/zinc/29/27/24/393292724.db2.gz JJMFMIXPJONQCP-ZETCQYMHSA-N -1 3 294.738 3.393 20 0 CGADHM Cc1ccc(C(=O)N2C[C@H](C)[C@@H](C)[C@H]2C)c([O-])c1C ZINC000416324308 393299740 /nfs/dbraw/zinc/29/97/40/393299740.db2.gz WRAKMPGLYKIOAI-DMDPSCGWSA-N -1 3 261.365 3.126 20 0 CGADHM CC(C)(C)C(=O)Nc1nnc(-c2cc3ccccc3o2)[n-]1 ZINC000276793550 393301121 /nfs/dbraw/zinc/30/11/21/393301121.db2.gz PQJQWRCQYYBROB-UHFFFAOYSA-N -1 3 284.319 3.203 20 0 CGADHM CC(C)(C)C(=O)Nc1nc(-c2cc3ccccc3o2)n[n-]1 ZINC000276793550 393301125 /nfs/dbraw/zinc/30/11/25/393301125.db2.gz PQJQWRCQYYBROB-UHFFFAOYSA-N -1 3 284.319 3.203 20 0 CGADHM CC(C)(C)C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000276793550 393301130 /nfs/dbraw/zinc/30/11/30/393301130.db2.gz PQJQWRCQYYBROB-UHFFFAOYSA-N -1 3 284.319 3.203 20 0 CGADHM C[C@@H]1[C@H](C)CN(C(=O)Cc2ccc([O-])cc2Cl)[C@H]1C ZINC000416327869 393302107 /nfs/dbraw/zinc/30/21/07/393302107.db2.gz YRTLVBYIVWHZQC-MXWKQRLJSA-N -1 3 281.783 3.091 20 0 CGADHM C[C@H]1[C@@H](C)N(C(=O)Cc2ccc([O-])cc2Cl)C[C@H]1C ZINC000416327868 393302279 /nfs/dbraw/zinc/30/22/79/393302279.db2.gz YRTLVBYIVWHZQC-GMTAPVOTSA-N -1 3 281.783 3.091 20 0 CGADHM CCc1ccc([O-])c(C(=O)N(C)CCC(C)(C)C)c1 ZINC000649028082 393326210 /nfs/dbraw/zinc/32/62/10/393326210.db2.gz MFBDXLOMGDFSKH-UHFFFAOYSA-N -1 3 263.381 3.463 20 0 CGADHM O=C([O-])[C@H](CNCc1ccc(F)cc1Cl)CC1CC1 ZINC000649511374 393463115 /nfs/dbraw/zinc/46/31/15/393463115.db2.gz GMOKIXAGEGPDLU-NSHDSACASA-N -1 3 285.746 3.070 20 0 CGADHM CCc1cc(C(=O)N[C@@H](CCOC)C(C)(C)C)ccc1[O-] ZINC000488351899 393492985 /nfs/dbraw/zinc/49/29/85/393492985.db2.gz NKMUVMHCXIOQJB-HNNXBMFYSA-N -1 3 293.407 3.136 20 0 CGADHM Cc1cc2c[nH]nc2c(-c2nc(-c3ccc([O-])cc3)no2)c1 ZINC000436769643 292017839 /nfs/dbraw/zinc/01/78/39/292017839.db2.gz KGRMWQPXGNSZHK-UHFFFAOYSA-N -1 3 292.298 3.294 20 0 CGADHM O=C([N-]c1nnc(C2CC2)s1)c1ccsc1Cl ZINC000666726935 542810837 /nfs/dbraw/zinc/81/08/37/542810837.db2.gz PPMKCSBVYUMMCY-UHFFFAOYSA-N -1 3 285.781 3.383 20 0 CGADHM CC[C@@H](C)C[C@@H](C)[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000360875574 393603947 /nfs/dbraw/zinc/60/39/47/393603947.db2.gz FXPYMPHKGLHPKV-NXEZZACHSA-N -1 3 291.363 3.068 20 0 CGADHM CCN(C[C@@H](C)OC)C(=O)c1cc([O-])c2ccccc2c1 ZINC000361049197 393656464 /nfs/dbraw/zinc/65/64/64/393656464.db2.gz DFAIMHOEXFKAKH-GFCCVEGCSA-N -1 3 287.359 3.042 20 0 CGADHM CC(C)CN(C(=O)/C=C\c1cncc([O-])c1)C1CCCC1 ZINC000492470857 393740529 /nfs/dbraw/zinc/74/05/29/393740529.db2.gz GQQMLOGKQMLQFM-FPLPWBNLSA-N -1 3 288.391 3.228 20 0 CGADHM O=C(N[C@@H]1CCCCC12CCCC2)c1ccc2n[n-]nc2c1 ZINC000361209774 393702032 /nfs/dbraw/zinc/70/20/32/393702032.db2.gz HTOVLIZDGSIJCD-OAHLLOKOSA-N -1 3 298.390 3.191 20 0 CGADHM O=C(/C=C/c1ccncc1)Nc1cc(Cl)ccc1[O-] ZINC000492269389 393712567 /nfs/dbraw/zinc/71/25/67/393712567.db2.gz OLQMHJWAJCLHCM-DAFODLJHSA-N -1 3 274.707 3.093 20 0 CGADHM O=C(/C=C\c1cscn1)Nc1cc(Cl)ccc1[O-] ZINC000492290592 393714891 /nfs/dbraw/zinc/71/48/91/393714891.db2.gz UUIWZESUFQSGIU-RQOWECAXSA-N -1 3 280.736 3.154 20 0 CGADHM Cc1ccc(C(=O)N2CCCC[C@@H](C)C2)c([O-])c1C ZINC000436952931 393718363 /nfs/dbraw/zinc/71/83/63/393718363.db2.gz KUVCPIZSUIAEOP-LLVKDONJSA-N -1 3 261.365 3.271 20 0 CGADHM Cc1cccc([O-])c1NC(=O)/C=C\c1ccsc1 ZINC000492323195 393719688 /nfs/dbraw/zinc/71/96/88/393719688.db2.gz MTWLWPGIHBTVQG-WAYWQWQTSA-N -1 3 259.330 3.414 20 0 CGADHM CCc1ccc(/C=C\C(=O)NCc2ccc([O-])c(F)c2)o1 ZINC000492628554 393764830 /nfs/dbraw/zinc/76/48/30/393764830.db2.gz COWXSZRZKLMLMO-VURMDHGXSA-N -1 3 289.306 3.016 20 0 CGADHM Cc1cc(C(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)ccc1[O-] ZINC000500641547 393834765 /nfs/dbraw/zinc/83/47/65/393834765.db2.gz JQTFEDXHROODFH-GZBFAFLISA-N -1 3 273.376 3.399 20 0 CGADHM Cc1cc(C(=O)N2CCc3c2cc(F)cc3F)ccc1[O-] ZINC000499774950 393807714 /nfs/dbraw/zinc/80/77/14/393807714.db2.gz CXGRNKBNQFJQEP-UHFFFAOYSA-N -1 3 289.281 3.182 20 0 CGADHM CC(C)CC1(C[N-]S(=O)(=O)c2ccco2)CCCC1 ZINC000445748369 393820827 /nfs/dbraw/zinc/82/08/27/393820827.db2.gz KWMFAZUJRVPBFS-UHFFFAOYSA-N -1 3 285.409 3.164 20 0 CGADHM C[C@@H]1C[C@@H](C)[C@@H](C(=O)Nc2ccc(C(C)(C)C)cc2[O-])O1 ZINC000501978571 393865799 /nfs/dbraw/zinc/86/57/99/393865799.db2.gz QCVAUZPGSNUMEK-HFAKWTLXSA-N -1 3 291.391 3.442 20 0 CGADHM COc1cc(-c2nc3ccc(C)cc3c(=O)[n-]2)ccc1F ZINC000502776509 393883746 /nfs/dbraw/zinc/88/37/46/393883746.db2.gz GOBPRRUGHNEATE-UHFFFAOYSA-N -1 3 284.290 3.459 20 0 CGADHM Cc1ccc([O-])c(CN2CC3(CCC3)[C@@H]2c2ccco2)n1 ZINC000449636886 393932106 /nfs/dbraw/zinc/93/21/06/393932106.db2.gz XRIYFHLFNUCOGD-INIZCTEOSA-N -1 3 284.359 3.416 20 0 CGADHM CC(C)=CCC[C@H](C)NC(=O)c1c[n-]nc1-c1ccccn1 ZINC000452541589 394081869 /nfs/dbraw/zinc/08/18/69/394081869.db2.gz LZYVBLBYPIWDLE-ZDUSSCGKSA-N -1 3 298.390 3.336 20 0 CGADHM CCCn1ncc(NC(=O)c2ccc(C)cc2[O-])c1C1CC1 ZINC000452976090 394139697 /nfs/dbraw/zinc/13/96/97/394139697.db2.gz FYCGEQRRVIOYJX-UHFFFAOYSA-N -1 3 299.374 3.437 20 0 CGADHM Cc1ccc(C(=O)N2CCOc3ccccc32)c([O-])c1C ZINC000436760851 292060155 /nfs/dbraw/zinc/06/01/55/292060155.db2.gz SVHSYSIVOLTRCN-UHFFFAOYSA-N -1 3 283.327 3.048 20 0 CGADHM CCC[C@@H](O)CC(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000669746763 543123900 /nfs/dbraw/zinc/12/39/00/543123900.db2.gz WVVYHJXUJFHQST-GFCCVEGCSA-N -1 3 279.380 3.179 20 0 CGADHM CC(C)(C)c1ccc(NC(=O)C2(C)CCOCC2)c([O-])c1 ZINC000669746580 543123929 /nfs/dbraw/zinc/12/39/29/543123929.db2.gz KFDCUAIELGFKRJ-UHFFFAOYSA-N -1 3 291.391 3.445 20 0 CGADHM O=C([N-]c1csc(-c2ccccc2)n1)c1ccon1 ZINC000672331755 543209389 /nfs/dbraw/zinc/20/93/89/543209389.db2.gz OYOWWPYLCQLZHB-UHFFFAOYSA-N -1 3 271.301 3.050 20 0 CGADHM CC1(C)CC[C@@H]1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000672506346 543215562 /nfs/dbraw/zinc/21/55/62/543215562.db2.gz PAPBAQFHHGJRJH-HNNXBMFYSA-N -1 3 269.344 3.464 20 0 CGADHM Cc1noc(C(F)F)c1C(=O)[N-]c1cccc(F)c1F ZINC000673650733 543249656 /nfs/dbraw/zinc/24/96/56/543249656.db2.gz GWDQFYUJASGYIN-UHFFFAOYSA-N -1 3 288.200 3.451 20 0 CGADHM C[C@H](C(=O)[O-])C1(NCc2cccc(Cl)c2Cl)CC1 ZINC000649508662 397715704 /nfs/dbraw/zinc/71/57/04/397715704.db2.gz ADCCRCLAEAZJMO-MRVPVSSYSA-N -1 3 288.174 3.336 20 0 CGADHM CCC(CC)(CC)C(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000675514800 543345058 /nfs/dbraw/zinc/34/50/58/543345058.db2.gz KHDYEWQRHGYYPU-UHFFFAOYSA-N -1 3 287.367 3.022 20 0 CGADHM CCC(CC)(CC)C(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000675514800 543345061 /nfs/dbraw/zinc/34/50/61/543345061.db2.gz KHDYEWQRHGYYPU-UHFFFAOYSA-N -1 3 287.367 3.022 20 0 CGADHM CCC(CC)(CC)C(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000675514800 543345064 /nfs/dbraw/zinc/34/50/64/543345064.db2.gz KHDYEWQRHGYYPU-UHFFFAOYSA-N -1 3 287.367 3.022 20 0 CGADHM O=C(CCC1CCOCC1)Nc1c([O-])cccc1Cl ZINC000552783420 289198832 /nfs/dbraw/zinc/19/88/32/289198832.db2.gz UWMCMSGLBOMSPS-UHFFFAOYSA-N -1 3 283.755 3.191 20 0 CGADHM O=C(CCOc1cccc(F)c1)Nc1cc(F)ccc1[O-] ZINC000677590408 543455818 /nfs/dbraw/zinc/45/58/18/543455818.db2.gz UXIKFTWHYOKYHR-UHFFFAOYSA-N -1 3 293.269 3.078 20 0 CGADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CCC[C@@H]1C1CC1 ZINC000678310019 543513511 /nfs/dbraw/zinc/51/35/11/543513511.db2.gz CCDSTYDLWSWHMN-MRXNPFEDSA-N -1 3 285.387 3.286 20 0 CGADHM CCCN(CC(F)(F)F)C(=O)c1cccc(CC)c1[O-] ZINC000678308121 543513709 /nfs/dbraw/zinc/51/37/09/543513709.db2.gz UJBNYEOQWWTBCP-UHFFFAOYSA-N -1 3 289.297 3.369 20 0 CGADHM O=c1[n-]c(-c2ccc3c(n2)CCCC3)nc2cccc(F)c12 ZINC000678351799 543517467 /nfs/dbraw/zinc/51/74/67/543517467.db2.gz MJJCRGZAPRPFAW-UHFFFAOYSA-N -1 3 295.317 3.415 20 0 CGADHM COc1ccc(C(=O)N[C@@H]2CC[C@H]3CCC[C@H]3C2)c([O-])c1 ZINC000436590112 286287848 /nfs/dbraw/zinc/28/78/48/286287848.db2.gz RGYMYDNCWFSAEE-FRRDWIJNSA-N -1 3 289.375 3.099 20 0 CGADHM Cc1ccc2[n-]cc(C(=O)N3CCCC[C@H](C)C3)c(=O)c2c1 ZINC000342572870 292300505 /nfs/dbraw/zinc/30/05/05/292300505.db2.gz RQKMMFZXRHQAIB-ZDUSSCGKSA-N -1 3 298.386 3.099 20 0 CGADHM Cc1ccc(C(=O)NCc2cccs2)c([O-])c1C ZINC000048384094 286904570 /nfs/dbraw/zinc/90/45/70/286904570.db2.gz RIGVSNYUTVMPEQ-UHFFFAOYSA-N -1 3 261.346 3.001 20 0 CGADHM COc1ccc([O-])c(C(=O)Nc2ccc(F)cc2C)c1 ZINC000051770659 286934697 /nfs/dbraw/zinc/93/46/97/286934697.db2.gz HGOGWCOHCXKHAV-UHFFFAOYSA-N -1 3 275.279 3.101 20 0 CGADHM CC[C@H](C)C[C@@H](C)NC(=O)NCc1ccc([O-])c(F)c1 ZINC000074374417 287012241 /nfs/dbraw/zinc/01/22/41/287012241.db2.gz GGMWFKCXZFCJNZ-WDEREUQCSA-N -1 3 282.359 3.155 20 0 CGADHM CC[C@H]1CCCN(C(=O)c2ccc(C)cc2[O-])CC1 ZINC000079053541 287053206 /nfs/dbraw/zinc/05/32/06/287053206.db2.gz PVKJMIIEPLEWAT-ZDUSSCGKSA-N -1 3 261.365 3.353 20 0 CGADHM COc1ccc([O-])c(C(=O)Nc2ccc3oc(C)nc3c2)c1 ZINC000078401073 165131753 /nfs/dbraw/zinc/13/17/53/165131753.db2.gz QDGLESUUUMZURN-UHFFFAOYSA-N -1 3 298.298 3.103 20 0 CGADHM Cc1cc([N-]C(=O)[C@@H](C)Nc2ccc(C)cc2C)on1 ZINC000078455895 165133612 /nfs/dbraw/zinc/13/36/12/165133612.db2.gz QVNABZPZUZMMFQ-GFCCVEGCSA-N -1 3 273.336 3.039 20 0 CGADHM CSCc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000079334211 165143804 /nfs/dbraw/zinc/14/38/04/165143804.db2.gz OGNVLNSYAFBNJF-UHFFFAOYSA-N -1 3 278.358 3.108 20 0 CGADHM Cc1ccc([O-])c(CNc2cccc3ncccc32)n1 ZINC000091993476 165277715 /nfs/dbraw/zinc/27/77/15/165277715.db2.gz NXSCWDNWXVIOPT-UHFFFAOYSA-N -1 3 265.316 3.256 20 0 CGADHM CCc1ccc(/C=C/C(=O)Nc2ccccc2[O-])o1 ZINC000122904956 287214001 /nfs/dbraw/zinc/21/40/01/287214001.db2.gz JHMVVMRMEJSHAA-MDZDMXLPSA-N -1 3 257.289 3.200 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CCCC[C@@H](SC)C2)c1 ZINC000123224173 287217139 /nfs/dbraw/zinc/21/71/39/287217139.db2.gz FICZMEQJAUHBRI-CYBMUJFWSA-N -1 3 293.432 3.312 20 0 CGADHM Cc1conc1[N-]C(=O)c1csc(Cc2ccccc2)n1 ZINC000123598835 287222324 /nfs/dbraw/zinc/22/23/24/287222324.db2.gz LGYDQXHEVXJEND-UHFFFAOYSA-N -1 3 299.355 3.283 20 0 CGADHM O=C(CC(F)(F)F)Nc1ccc(Br)cc1[O-] ZINC000124308131 287231985 /nfs/dbraw/zinc/23/19/85/287231985.db2.gz OVMUONMGPKTGKE-UHFFFAOYSA-N -1 3 298.058 3.046 20 0 CGADHM Cc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000007052954 170264508 /nfs/dbraw/zinc/26/45/08/170264508.db2.gz VYGYXNAWIQBFKX-UHFFFAOYSA-N -1 3 287.384 3.285 20 0 CGADHM CC(C)[C@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000007212458 170271957 /nfs/dbraw/zinc/27/19/57/170271957.db2.gz YJXRIIBUGMIMGF-QMMMGPOBSA-N -1 3 296.219 3.316 20 0 CGADHM CC[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000007307843 170277083 /nfs/dbraw/zinc/27/70/83/170277083.db2.gz BXOAOYMAOGCXLK-SSDOTTSWSA-N -1 3 282.192 3.070 20 0 CGADHM CC(C)(C)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000007308627 170277262 /nfs/dbraw/zinc/27/72/62/170277262.db2.gz AZUCHYINHVANLV-UHFFFAOYSA-N -1 3 282.192 3.070 20 0 CGADHM CCOc1ccccc1NC(=O)c1cccc(OC)c1[O-] ZINC000019838137 170886101 /nfs/dbraw/zinc/88/61/01/170886101.db2.gz BUILASCQCWLDJI-UHFFFAOYSA-N -1 3 287.315 3.052 20 0 CGADHM O=C(CCC(=O)c1ccccc1)Nc1cccc([O-])c1F ZINC000128317406 287308705 /nfs/dbraw/zinc/30/87/05/287308705.db2.gz RESBQHURLZPZAY-UHFFFAOYSA-N -1 3 287.290 3.133 20 0 CGADHM Cc1cc2ccccc2n1CC(=O)Nc1cccc([O-])c1F ZINC000129027137 287322750 /nfs/dbraw/zinc/32/27/50/287322750.db2.gz KXQHUNXOHWRXPW-UHFFFAOYSA-N -1 3 298.317 3.433 20 0 CGADHM CC[C@H]1CCC[C@@H](NC(=O)c2c[n-]c3ccccc3c2=O)C1 ZINC000077136077 177226898 /nfs/dbraw/zinc/22/68/98/177226898.db2.gz XICKKDXUUOQRQB-QWHCGFSZSA-N -1 3 298.386 3.227 20 0 CGADHM Cc1ccc(CN2CC[C@H](C(=O)[O-])[C@@H](C)C2)c(Cl)c1 ZINC000311610504 416532466 /nfs/dbraw/zinc/53/24/66/416532466.db2.gz QFXBTDBIPICTAE-AAEUAGOBSA-N -1 3 281.783 3.191 20 0 CGADHM CCC[C@H](C)NCc1cccc([O-])c1Br ZINC000315012818 416538275 /nfs/dbraw/zinc/53/82/75/416538275.db2.gz KIKMMVQXQCJISW-VIFPVBQESA-N -1 3 272.186 3.433 20 0 CGADHM COc1ccc([O-])c(C(=O)N2c3ccccc3CC[C@H]2C)c1 ZINC000315032558 416538438 /nfs/dbraw/zinc/53/84/38/416538438.db2.gz XCHFLCPCKJFPIQ-GFCCVEGCSA-N -1 3 297.354 3.382 20 0 CGADHM Cc1nc(C)c(C[N-]c2nc(-c3ccccc3)no2)s1 ZINC000679120576 543593155 /nfs/dbraw/zinc/59/31/55/543593155.db2.gz SNKFYEWBIMTMEX-UHFFFAOYSA-N -1 3 286.360 3.422 20 0 CGADHM CCCCn1ncc(C(=O)Nc2cccc([O-])c2F)c1C ZINC000129617303 287336255 /nfs/dbraw/zinc/33/62/55/287336255.db2.gz QOBKHQNNYZJRLZ-UHFFFAOYSA-N -1 3 291.326 3.089 20 0 CGADHM COc1c(F)ccc(F)c1C(=O)Nc1cccc([O-])c1F ZINC000129769416 287338894 /nfs/dbraw/zinc/33/88/94/287338894.db2.gz BZAYWWJRYKFWLK-UHFFFAOYSA-N -1 3 297.232 3.070 20 0 CGADHM CC(F)(F)CCC(=O)N1CCCc2cccc([O-])c21 ZINC000679318884 543616631 /nfs/dbraw/zinc/61/66/31/543616631.db2.gz IZJPRWNJGUQEEK-UHFFFAOYSA-N -1 3 269.291 3.107 20 0 CGADHM CC(C)(C)n1cnc([N-]C(=O)c2cc3occc3s2)n1 ZINC000680107310 543685055 /nfs/dbraw/zinc/68/50/55/543685055.db2.gz SAOUTKMOJUFFIX-UHFFFAOYSA-N -1 3 290.348 3.093 20 0 CGADHM Cc1nnc([N-]c2ccn([C@H](C)c3ccccc3)n2)nc1C ZINC000681388784 543785582 /nfs/dbraw/zinc/78/55/82/543785582.db2.gz AHBBSJYXYQQMJR-CYBMUJFWSA-N -1 3 294.362 3.038 20 0 CGADHM COc1ccc(NC(=O)CCc2ccccc2F)c([O-])c1 ZINC000682388108 543839795 /nfs/dbraw/zinc/83/97/95/543839795.db2.gz YXADHJFCVZOLJI-UHFFFAOYSA-N -1 3 289.306 3.111 20 0 CGADHM C[C@@H]1CCC[C@@H](C(=O)Nc2ccc([O-])cc2F)C1 ZINC000121839543 287372465 /nfs/dbraw/zinc/37/24/65/287372465.db2.gz JEWGYFYOPKNNDW-NXEZZACHSA-N -1 3 251.301 3.296 20 0 CGADHM O=C([N-]c1nc2c(cccc2Cl)s1)c1cocn1 ZINC000683070894 543893296 /nfs/dbraw/zinc/89/32/96/543893296.db2.gz JKQWAYVSMXSCRI-UHFFFAOYSA-N -1 3 279.708 3.190 20 0 CGADHM COc1ccc([C@@H](CC(=O)[O-])NCc2cccc(C)c2)cc1 ZINC000683170978 543900840 /nfs/dbraw/zinc/90/08/40/543900840.db2.gz CVFAQEFJLKNMHK-QGZVFWFLSA-N -1 3 299.370 3.309 20 0 CGADHM CSc1nsc([N-]C(=O)c2ccoc2C(C)C)n1 ZINC000684562262 544014265 /nfs/dbraw/zinc/01/42/65/544014265.db2.gz VQFLZJYZTKLSEX-UHFFFAOYSA-N -1 3 283.378 3.229 20 0 CGADHM CCC(C)(C)[C@H]1CCCN1C(=O)c1ccc(O)cc1[O-] ZINC000133793032 287429824 /nfs/dbraw/zinc/42/98/24/287429824.db2.gz JVQRUKYWTJXCQJ-CQSZACIVSA-N -1 3 277.364 3.139 20 0 CGADHM CCC[C@@]1(COC)CCCN1Cc1cc(C)c(C(=O)[O-])o1 ZINC000652441095 418968747 /nfs/dbraw/zinc/96/87/47/418968747.db2.gz OUMUTQXJEJXSKR-INIZCTEOSA-N -1 3 295.379 3.067 20 0 CGADHM CCc1nnc([N-]C(=O)c2cccc(Cl)c2F)s1 ZINC000150740342 287498231 /nfs/dbraw/zinc/49/82/31/287498231.db2.gz ROFNLKWJOLXPQS-UHFFFAOYSA-N -1 3 285.731 3.145 20 0 CGADHM O=C([O-])CCN(Cc1cc(F)ccc1Cl)CC1CC1 ZINC000652467639 418970843 /nfs/dbraw/zinc/97/08/43/418970843.db2.gz GNSQZVBERVPYEK-UHFFFAOYSA-N -1 3 285.746 3.166 20 0 CGADHM CC(C)Oc1ccccc1CN(CCC(=O)[O-])C(C)C ZINC000652478709 418972454 /nfs/dbraw/zinc/97/24/54/418972454.db2.gz SMCHHHSMHWJUFJ-UHFFFAOYSA-N -1 3 279.380 3.159 20 0 CGADHM C[C@@H]1CCCN(Cc2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC000652366572 418957568 /nfs/dbraw/zinc/95/75/68/418957568.db2.gz AXFPGVIJASYAIR-SNVBAGLBSA-N -1 3 267.756 3.270 20 0 CGADHM Cc1ccc(CN(C)Cc2ccsc2C(=O)[O-])s1 ZINC000652409417 418962281 /nfs/dbraw/zinc/96/22/81/418962281.db2.gz ZAKGZEAKDPNEBY-UHFFFAOYSA-N -1 3 281.402 3.448 20 0 CGADHM CC1=CC[C@](C)(c2nc(-c3ccc4n[n-]nc4c3)no2)CC1 ZINC000664875607 419018262 /nfs/dbraw/zinc/01/82/62/419018262.db2.gz AAUMLTJUOMPQAK-INIZCTEOSA-N -1 3 295.346 3.396 20 0 CGADHM O=C([O-])[C@]12CN(Cc3cc(F)cc(F)c3)C[C@H]1CCCC2 ZINC000659798746 418992966 /nfs/dbraw/zinc/99/29/66/418992966.db2.gz PKBSSLDASXOHPP-MLGOLLRUSA-N -1 3 295.329 3.042 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N2CC(C)(C)[C@@H]2c2cccnc2)n1 ZINC000664820521 419009684 /nfs/dbraw/zinc/00/96/84/419009684.db2.gz ABFMRIHWIKMGBZ-WFASDCNBSA-N -1 3 298.390 3.030 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@H]1C[C@@H]1C1CCCC1 ZINC000653035842 419012658 /nfs/dbraw/zinc/01/26/58/419012658.db2.gz CCNWQNCLKWSPJM-OLZOCXBDSA-N -1 3 275.396 3.028 20 0 CGADHM CC[C@@H](N[C@@H](C)c1nc(C)cc(=O)[n-]1)c1ccccc1F ZINC000653791038 419087107 /nfs/dbraw/zinc/08/71/07/419087107.db2.gz AQIVXQKPAIOGLL-SMDDNHRTSA-N -1 3 289.354 3.432 20 0 CGADHM Cc1ccc2c(c1)[C@@H]([N-]c1nc(C3CCOCC3)no1)CC2 ZINC000665700118 419152550 /nfs/dbraw/zinc/15/25/50/419152550.db2.gz BJQAQENWXWBEFD-HNNXBMFYSA-N -1 3 299.374 3.371 20 0 CGADHM C[C@@H](c1ccccc1)[C@H](NCc1ccc(Cl)o1)C(=O)[O-] ZINC000656569781 419184126 /nfs/dbraw/zinc/18/41/26/419184126.db2.gz TXGSPZRGAFJJKD-HZMBPMFUSA-N -1 3 293.750 3.280 20 0 CGADHM CCc1cccc2cc(CN[C@H]3C=C[C@H](C(=O)[O-])C3)oc21 ZINC000656566094 419184154 /nfs/dbraw/zinc/18/41/54/419184154.db2.gz DCGGBLVIGWUYRB-KBPBESRZSA-N -1 3 285.343 3.114 20 0 CGADHM Cc1ccc(CN2CC[C@@H](C)[C@@H](C(=O)[O-])C2)c(Cl)c1 ZINC000655927306 419128476 /nfs/dbraw/zinc/12/84/76/419128476.db2.gz HAXFLLOLVKYALX-YPMHNXCESA-N -1 3 281.783 3.191 20 0 CGADHM C[C@@H](c1cccc2ccccc21)N(C)Cc1n[n-]c(=O)o1 ZINC000660849716 419203501 /nfs/dbraw/zinc/20/35/01/419203501.db2.gz DPVBUGFEKRMXJC-NSHDSACASA-N -1 3 283.331 3.121 20 0 CGADHM CC(C)(C)c1ccc(S(=O)(=O)[N-][C@]23C[C@H]2CCC3)s1 ZINC000657052226 419226365 /nfs/dbraw/zinc/22/63/65/419226365.db2.gz NTEJTFSLSRCUEA-QMTHXVAHSA-N -1 3 299.461 3.267 20 0 CGADHM CCCCn1c(=O)[n-]nc1SC/C(Cl)=C\Cl ZINC000746141938 572855855 /nfs/dbraw/zinc/85/58/55/572855855.db2.gz NXOLZHOEHMQGNE-FNORWQNLSA-N -1 3 282.196 3.195 20 0 CGADHM Cc1cc(C(=O)NCCCC2CCCC2)ccc1[O-] ZINC000226715717 287635802 /nfs/dbraw/zinc/63/58/02/287635802.db2.gz JMQLODFWIIXHGX-UHFFFAOYSA-N -1 3 261.365 3.401 20 0 CGADHM Cc1cc(C(=O)NC[C@H]2CCCC[C@@H]2C)ccc1[O-] ZINC000227022500 287636776 /nfs/dbraw/zinc/63/67/76/287636776.db2.gz SOOOPBAEOIVLMI-SMDDNHRTSA-N -1 3 261.365 3.257 20 0 CGADHM C[C@@H](c1cccs1)N(C)C(=O)/C=C/c1cncc([O-])c1 ZINC000179435529 260047252 /nfs/dbraw/zinc/04/72/52/260047252.db2.gz SEMATCXEHRIMTB-QRGHLMKCSA-N -1 3 288.372 3.082 20 0 CGADHM CCc1ccccc1NC(=O)/C=C/c1cncc([O-])c1 ZINC000179407301 260047362 /nfs/dbraw/zinc/04/73/62/260047362.db2.gz LOZQIHDPECKULI-BQYQJAHWSA-N -1 3 268.316 3.002 20 0 CGADHM C[C@@H]1CCC[C@H]1CC(=O)Nc1cc(F)ccc1[O-] ZINC000187718399 260164115 /nfs/dbraw/zinc/16/41/15/260164115.db2.gz AGDQVVAFDJGRFJ-ZJUUUORDSA-N -1 3 251.301 3.296 20 0 CGADHM Cc1cc(C(=O)N2CC[C@H](c3ccccc3F)C2)ccc1[O-] ZINC000272462016 263004766 /nfs/dbraw/zinc/00/47/66/263004766.db2.gz OOWAVQNLQPMUKZ-AWEZNQCLSA-N -1 3 299.345 3.469 20 0 CGADHM CN(CCCC(=O)[O-])Cc1c(Cl)oc2ccccc21 ZINC000414642327 263019438 /nfs/dbraw/zinc/01/94/38/263019438.db2.gz VNLHQEDNDCYOGF-UHFFFAOYSA-N -1 3 281.739 3.383 20 0 CGADHM CC(C)N(Cc1occc1C(=O)[O-])Cc1ccccc1 ZINC000035432954 270028010 /nfs/dbraw/zinc/02/80/10/270028010.db2.gz WSTHCOKIUBADBJ-UHFFFAOYSA-N -1 3 273.332 3.388 20 0 CGADHM Cc1ccc([O-])c(C(=O)N[C@@H](C)CCc2ccco2)c1 ZINC000042306579 270032084 /nfs/dbraw/zinc/03/20/84/270032084.db2.gz DJZPFHAQZYHXIZ-LBPRGKRZSA-N -1 3 273.332 3.045 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CCC[C@H]2C2CCCC2)c1 ZINC000044352598 270035381 /nfs/dbraw/zinc/03/53/81/270035381.db2.gz BCOWSZNYRMPODZ-HNNXBMFYSA-N -1 3 273.376 3.495 20 0 CGADHM O=C(NCCc1ccc(Cl)s1)c1ccccc1[O-] ZINC000044810391 270037907 /nfs/dbraw/zinc/03/79/07/270037907.db2.gz CHPVGNPYPRQMCR-UHFFFAOYSA-N -1 3 281.764 3.080 20 0 CGADHM CC[C@@H](NC(=O)c1cccc(C)c1[O-])c1nc(C)cs1 ZINC000104939442 270047110 /nfs/dbraw/zinc/04/71/10/270047110.db2.gz ZLDXRSRAPGYTMK-GFCCVEGCSA-N -1 3 290.388 3.347 20 0 CGADHM CC[C@H](NC(=O)c1cc(C)ccc1[O-])c1nc(C)cs1 ZINC000105381520 270047627 /nfs/dbraw/zinc/04/76/27/270047627.db2.gz GPVLVRDZPRWVBF-LBPRGKRZSA-N -1 3 290.388 3.347 20 0 CGADHM COc1cc(C)cc(C(=O)Nc2ccccc2F)c1[O-] ZINC000106903611 270049216 /nfs/dbraw/zinc/04/92/16/270049216.db2.gz NJWGMQFDIBSIOL-UHFFFAOYSA-N -1 3 275.279 3.101 20 0 CGADHM CC[C@H](CNC(=O)c1cccc([O-])c1)Oc1ccccc1C ZINC000182565545 270054189 /nfs/dbraw/zinc/05/41/89/270054189.db2.gz LQVYMKUCUQAWKT-MRXNPFEDSA-N -1 3 299.370 3.288 20 0 CGADHM C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2C2CC2)c2c([O-])cccc21 ZINC000186272569 270065362 /nfs/dbraw/zinc/06/53/62/270065362.db2.gz NWPAGKOEBJUEHA-LERXQTSPSA-N -1 3 271.360 3.279 20 0 CGADHM CC(=O)CCC(=O)Nc1cc(Cc2ccccc2)ccc1[O-] ZINC000192981376 270078286 /nfs/dbraw/zinc/07/82/86/270078286.db2.gz DEJGDMVBUUOKJI-UHFFFAOYSA-N -1 3 297.354 3.291 20 0 CGADHM Cc1cc(C(=O)N[C@@H]2CCC[C@@H](C)CC2)ccc1[O-] ZINC000227535803 270086903 /nfs/dbraw/zinc/08/69/03/270086903.db2.gz JQMKIDVHSBIJLH-BXUZGUMPSA-N -1 3 261.365 3.399 20 0 CGADHM Cc1cc(C(=O)NCCC(C)(C)C2CC2)ccc1[O-] ZINC000328575581 270095397 /nfs/dbraw/zinc/09/53/97/270095397.db2.gz YGVBVHJUQSOCNE-UHFFFAOYSA-N -1 3 261.365 3.257 20 0 CGADHM Cc1cc(C(=O)NCC2(CC(C)C)CC2)ccc1[O-] ZINC000392104182 266022707 /nfs/dbraw/zinc/02/27/07/266022707.db2.gz NKDMENOHUFYLIV-UHFFFAOYSA-N -1 3 261.365 3.257 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)c2ccsc2)c1-c1ccccc1 ZINC000522168183 270105105 /nfs/dbraw/zinc/10/51/05/270105105.db2.gz AOTQOUWYWJGGAQ-UHFFFAOYSA-N -1 3 283.356 3.121 20 0 CGADHM O=C(Cc1nc(=O)c2c3ccccc3sc2[n-]1)C1CCC1 ZINC000524610922 270113699 /nfs/dbraw/zinc/11/36/99/270113699.db2.gz OMLHRLIBMFXMAM-UHFFFAOYSA-N -1 3 298.367 3.462 20 0 CGADHM C[C@@H]1C[C@H](CCNC(=O)c2csc(=O)[n-]2)CC(C)(C)C1 ZINC000527184067 270126380 /nfs/dbraw/zinc/12/63/80/270126380.db2.gz LQJKMDFVIHZQMP-MNOVXSKESA-N -1 3 296.436 3.431 20 0 CGADHM O=C(NCCCCC1CCCC1)c1cccc2nn[n-]c21 ZINC000527356613 270127406 /nfs/dbraw/zinc/12/74/06/270127406.db2.gz SXLDSDIDAPWQQQ-UHFFFAOYSA-N -1 3 286.379 3.048 20 0 CGADHM O=C(NCCCCC1CCCC1)c1cccc2[n-]nnc21 ZINC000527356613 270127407 /nfs/dbraw/zinc/12/74/07/270127407.db2.gz SXLDSDIDAPWQQQ-UHFFFAOYSA-N -1 3 286.379 3.048 20 0 CGADHM O=C(NCCCCC1CCCC1)c1cccc2n[n-]nc21 ZINC000527356613 270127408 /nfs/dbraw/zinc/12/74/08/270127408.db2.gz SXLDSDIDAPWQQQ-UHFFFAOYSA-N -1 3 286.379 3.048 20 0 CGADHM CC(C)O[C@@]1(C)C[C@H]1NCc1cccc([O-])c1Cl ZINC000527801479 270136564 /nfs/dbraw/zinc/13/65/64/270136564.db2.gz JMWPHQJPSQGGBP-OCCSQVGLSA-N -1 3 269.772 3.091 20 0 CGADHM C[C@@H]1CCN(C(=O)c2cc([O-])cc(Br)c2)[C@@H]1C ZINC000528775115 270173062 /nfs/dbraw/zinc/17/30/62/270173062.db2.gz PEGWYBKNJCULFE-RKDXNWHRSA-N -1 3 298.180 3.025 20 0 CGADHM Cc1cccc([O-])c1NC(=O)C[C@H](C)c1ccco1 ZINC000528951735 270176258 /nfs/dbraw/zinc/17/62/58/270176258.db2.gz QVMSKJQHUJDNHP-NSHDSACASA-N -1 3 259.305 3.426 20 0 CGADHM Cc1scnc1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000529544321 270183455 /nfs/dbraw/zinc/18/34/55/270183455.db2.gz IVAYYDOVMLYTAB-UHFFFAOYSA-N -1 3 294.351 3.258 20 0 CGADHM Cc1scnc1[N-]C(=O)c1cnc([C@@H]2CCCO2)s1 ZINC000529552555 270184347 /nfs/dbraw/zinc/18/43/47/270184347.db2.gz YKAQFGKLHJMDTK-QMMMGPOBSA-N -1 3 295.389 3.012 20 0 CGADHM O=C(N[C@@H](c1ccccn1)C1CCC1)c1cccc([O-])c1 ZINC000529826701 270189248 /nfs/dbraw/zinc/18/92/48/270189248.db2.gz WIPRSHXJOVGKJD-MRXNPFEDSA-N -1 3 282.343 3.058 20 0 CGADHM Cc1ccc(C(=O)N[C@@H](c2ccccn2)C2CCC2)c([O-])c1 ZINC000529826817 270189403 /nfs/dbraw/zinc/18/94/03/270189403.db2.gz LWJSBMRXJKVTAF-QGZVFWFLSA-N -1 3 296.370 3.367 20 0 CGADHM O=C(Nc1ccc(Br)cc1[O-])[C@H]1[C@@H]2CCC[C@@H]21 ZINC000530656839 270201785 /nfs/dbraw/zinc/20/17/85/270201785.db2.gz MVDVJWFEHQDGRJ-GDGBQDQQSA-N -1 3 296.164 3.139 20 0 CGADHM COc1ccc(/C=C\C(=O)Nc2ccccc2[O-])c(OC)c1 ZINC000255290878 287862050 /nfs/dbraw/zinc/86/20/50/287862050.db2.gz YVRNBDAMYPPDOF-NTMALXAHSA-N -1 3 299.326 3.061 20 0 CGADHM CC(C)c1[nH]ccc1C(=O)N1CCCc2cccc([O-])c21 ZINC000285505333 276039903 /nfs/dbraw/zinc/03/99/03/276039903.db2.gz BEWPYWPOYYFITD-UHFFFAOYSA-N -1 3 284.359 3.437 20 0 CGADHM CCCOc1ccccc1NC(=O)/C=C\c1cncc([O-])c1 ZINC000255630663 287875331 /nfs/dbraw/zinc/87/53/31/287875331.db2.gz IVCWGRQZOHEHMT-FPLPWBNLSA-N -1 3 298.342 3.228 20 0 CGADHM CC(=O)c1ccc(C(=O)N2CC[C@H](C)C(C)(C)C2)cc1[O-] ZINC000412249830 277108552 /nfs/dbraw/zinc/10/85/52/277108552.db2.gz NLUCNBIGVSNOMR-NSHDSACASA-N -1 3 289.375 3.103 20 0 CGADHM CC(C)c1ccc(C(=O)N2C[C@H](C)C[C@H]2C)c([O-])c1 ZINC000436562922 278029246 /nfs/dbraw/zinc/02/92/46/278029246.db2.gz KZQJAQGVAGXIMY-VXGBXAGGSA-N -1 3 261.365 3.386 20 0 CGADHM CC(C)c1scnc1C(=O)Nc1ccccc1[O-] ZINC000335724011 278117247 /nfs/dbraw/zinc/11/72/47/278117247.db2.gz HLNXMPDBZRLEPT-UHFFFAOYSA-N -1 3 262.334 3.224 20 0 CGADHM C[C@H]1CCN(C(=O)CC2CCC2)c2c([O-])cccc21 ZINC000186260558 278357307 /nfs/dbraw/zinc/35/73/07/278357307.db2.gz YVEZMVKGAPIGME-NSHDSACASA-N -1 3 259.349 3.423 20 0 CGADHM C[C@@H]1Cc2cc(F)ccc2[C@H](C)N1Cc1ncccc1[O-] ZINC000515495196 279012526 /nfs/dbraw/zinc/01/25/26/279012526.db2.gz FWLOIKADFMDNLI-NEPJUHHUSA-N -1 3 286.350 3.434 20 0 CGADHM C[C@H]1CCN([C@H](C(=O)[O-])c2ccccc2C(F)(F)F)C1 ZINC000521886998 288142587 /nfs/dbraw/zinc/14/25/87/288142587.db2.gz VNBGRONQFRNDJT-CABZTGNLSA-N -1 3 287.281 3.173 20 0 CGADHM CCC[C@@H]1CCCC[C@H]1NC(=O)c1ccc([O-])c(OC)c1 ZINC000527487409 288172044 /nfs/dbraw/zinc/17/20/44/288172044.db2.gz YIYTULLALAYVIQ-TZMCWYRMSA-N -1 3 291.391 3.490 20 0 CGADHM Cc1ccc(NC(=O)C[C@@H](C)c2ccco2)c([O-])c1 ZINC000527660501 288184245 /nfs/dbraw/zinc/18/42/45/288184245.db2.gz WOPKEYSDWHWJIG-LLVKDONJSA-N -1 3 259.305 3.426 20 0 CGADHM C[C@@H]1CCC[C@@H]1NC(=O)c1cc([O-])cc(Br)c1 ZINC000528429597 288199597 /nfs/dbraw/zinc/19/95/97/288199597.db2.gz ARJKMJUIZMZGMA-PELKAZGASA-N -1 3 298.180 3.073 20 0 CGADHM C[C@H]1c2cccn2CCN1C(=O)c1cc([O-])ccc1Cl ZINC000278563374 280131137 /nfs/dbraw/zinc/13/11/37/280131137.db2.gz ICUKEBXKFFHMDQ-JTQLQIEISA-N -1 3 290.750 3.064 20 0 CGADHM Cc1[nH]c2ccc(C(=O)Nc3nc(C)ccc3[O-])cc2c1C ZINC000345924396 280184002 /nfs/dbraw/zinc/18/40/02/280184002.db2.gz JEZAKGIMBVWNGD-UHFFFAOYSA-N -1 3 295.342 3.446 20 0 CGADHM O=C(c1ccc2c(c1)CCC2)N1CCCc2cccc([O-])c21 ZINC000170873020 280193933 /nfs/dbraw/zinc/19/39/33/280193933.db2.gz LLVZHRCBMJHEMW-UHFFFAOYSA-N -1 3 293.366 3.474 20 0 CGADHM CC1(C)CN(Cc2c(F)ccc([O-])c2F)[C@H]1[C@H]1CCCO1 ZINC000294037585 281245626 /nfs/dbraw/zinc/24/56/26/281245626.db2.gz WBWYQZCZGUCTCG-HIFRSBDPSA-N -1 3 297.345 3.060 20 0 CGADHM O=c1[n-]c(-c2ccc3c(n2)CCCC3)nc2ccc(F)cc12 ZINC000539958108 288640024 /nfs/dbraw/zinc/64/00/24/288640024.db2.gz CYVZWSOVCYLVMD-UHFFFAOYSA-N -1 3 295.317 3.415 20 0 CGADHM Cc1ccc2c(c1)N(C(=O)c1ccc([O-])c(C)c1)C[C@H](C)O2 ZINC000543712839 288816118 /nfs/dbraw/zinc/81/61/18/288816118.db2.gz LVPWXUVLGQPCEE-ZDUSSCGKSA-N -1 3 297.354 3.437 20 0 CGADHM CSc1ccc(NCc2cc([O-])cc(F)c2)cn1 ZINC000547436103 288961563 /nfs/dbraw/zinc/96/15/63/288961563.db2.gz VGNHMDVZSXMKTO-UHFFFAOYSA-N -1 3 264.325 3.260 20 0 CGADHM Cc1ccc(C(=O)N2CCC=C(c3cccnc3)C2)c([O-])c1 ZINC000552060721 289156782 /nfs/dbraw/zinc/15/67/82/289156782.db2.gz FYWASTQSBIEWJC-UHFFFAOYSA-N -1 3 294.354 3.025 20 0 CGADHM O=C(Cc1coc2ccccc12)NCc1ccc([O-])c(F)c1 ZINC000552388529 289185484 /nfs/dbraw/zinc/18/54/84/289185484.db2.gz GTHADULPPCTIKH-UHFFFAOYSA-N -1 3 299.301 3.136 20 0 CGADHM O=C(COc1ccc(F)cc1)Nc1c([O-])cccc1Cl ZINC000552780060 289198272 /nfs/dbraw/zinc/19/82/72/289198272.db2.gz UNIWUZBHRRWOOV-UHFFFAOYSA-N -1 3 295.697 3.202 20 0 CGADHM Cc1cc(C(=O)N=c2cc3ccccn3[n-]2)c(C)n1C(C)C ZINC000552990200 289204663 /nfs/dbraw/zinc/20/46/63/289204663.db2.gz MBNHLBSLQQXHPQ-UHFFFAOYSA-N -1 3 296.374 3.008 20 0 CGADHM O=C(N=c1cc2ccccn2[n-]1)[C@@H]1CCC[C@H]2CCCC[C@@H]21 ZINC000553320341 289219230 /nfs/dbraw/zinc/21/92/30/289219230.db2.gz AQWUQNLSUFKTQY-VNQPRFMTSA-N -1 3 297.402 3.301 20 0 CGADHM CCC(C)(CC)[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000555583349 289350058 /nfs/dbraw/zinc/35/00/58/289350058.db2.gz XYPSOMDRPBJSKQ-UHFFFAOYSA-N -1 3 293.791 3.336 20 0 CGADHM CCCC1(C(=O)Nc2cccc([O-])c2F)CCC1 ZINC000556554883 289396998 /nfs/dbraw/zinc/39/69/98/289396998.db2.gz JHXVLTZTYSPIDA-UHFFFAOYSA-N -1 3 251.301 3.440 20 0 CGADHM CC(=O)c1cccc(NC(=O)c2ccoc2C2CC2)c1[O-] ZINC000556893275 289419433 /nfs/dbraw/zinc/41/94/33/289419433.db2.gz UPRWMTZEWCWBEC-UHFFFAOYSA-N -1 3 285.299 3.318 20 0 CGADHM Cc1cnc([C@@H](C)SCc2cc(=O)[n-]c(C3CC3)n2)o1 ZINC000557274732 289436419 /nfs/dbraw/zinc/43/64/19/289436419.db2.gz GZWZBKKORZUNTR-SECBINFHSA-N -1 3 291.376 3.350 20 0 CGADHM O=C(Nc1cccc([O-])c1F)[C@H]1CC2CCC1CC2 ZINC000560343430 289584986 /nfs/dbraw/zinc/58/49/86/289584986.db2.gz SNBJUDCHQSPQOL-ILDUYXDCSA-N -1 3 263.312 3.296 20 0 CGADHM CC(=O)c1cccc(NC(=O)[C@@H](C)c2cccs2)c1[O-] ZINC000560550292 289604125 /nfs/dbraw/zinc/60/41/25/289604125.db2.gz JXMLNRPXROKOAW-VIFPVBQESA-N -1 3 289.356 3.399 20 0 CGADHM COc1ccc([O-])c(C(=O)N2CCCC23CCCCC3)c1 ZINC000366898044 295165026 /nfs/dbraw/zinc/16/50/26/295165026.db2.gz YUUAVODUPJCIMA-UHFFFAOYSA-N -1 3 289.375 3.340 20 0 CGADHM Cc1cc(C(=O)N(C)[C@H]2CCCC[C@@H]2C)ccc1[O-] ZINC000226954098 301081492 /nfs/dbraw/zinc/08/14/92/301081492.db2.gz NZIOQOXAMLXLSE-FZMZJTMJSA-N -1 3 261.365 3.351 20 0 CGADHM Cc1ccc(C(=O)N2CC(C)(C)[C@@H]2C(C)C)c([O-])c1 ZINC000437004376 301496322 /nfs/dbraw/zinc/49/63/22/301496322.db2.gz MPKKUILGANMRGP-AWEZNQCLSA-N -1 3 261.365 3.207 20 0 CGADHM C[C@H]1CCN(C(=O)c2ccc(F)cn2)c2c([O-])cccc21 ZINC000186263678 327685645 /nfs/dbraw/zinc/68/56/45/327685645.db2.gz KJOBJIVTRANVJY-JTQLQIEISA-N -1 3 286.306 3.080 20 0 CGADHM Cc1cc(F)ccc1C[S@](=O)c1cccc([O-])c1 ZINC000187080696 327709103 /nfs/dbraw/zinc/70/91/03/327709103.db2.gz ZJYIGPJOQDLWLN-SFHVURJKSA-N -1 3 264.321 3.148 20 0 CGADHM C[C@H]1CCCN1Cc1cccc(C(=O)[O-])c1Cl ZINC000394504791 329124290 /nfs/dbraw/zinc/12/42/90/329124290.db2.gz ITAHSRRBUSWMDP-VIFPVBQESA-N -1 3 253.729 3.023 20 0 CGADHM Cc1noc(C2CC2)c1[N-]C(=O)c1cc(F)ccc1F ZINC000156531377 321782057 /nfs/dbraw/zinc/78/20/57/321782057.db2.gz DSDDRBXBBXKJLS-UHFFFAOYSA-N -1 3 278.258 3.391 20 0 CGADHM CC1(C)C[C@H]1C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000162404800 321882941 /nfs/dbraw/zinc/88/29/41/321882941.db2.gz JBASEDCJZMWXSB-VIFPVBQESA-N -1 3 273.254 3.396 20 0 CGADHM Cc1ccc(C(=O)NCCCc2ccc(O)cc2)c([O-])c1C ZINC000261475228 321950496 /nfs/dbraw/zinc/95/04/96/321950496.db2.gz XHZCYLMVUYGCSO-UHFFFAOYSA-N -1 3 299.370 3.077 20 0 CGADHM COc1cccc(-c2nc([C@@H]3Cc4ccccc43)no2)c1[O-] ZINC000316186821 321960272 /nfs/dbraw/zinc/96/02/72/321960272.db2.gz ZJGIPAHWACFOFB-CYBMUJFWSA-N -1 3 294.310 3.139 20 0 CGADHM CC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(C)cc1F ZINC000404853908 321970995 /nfs/dbraw/zinc/97/09/95/321970995.db2.gz ADUGQUBGNPDUDH-OCCSQVGLSA-N -1 3 299.411 3.381 20 0 CGADHM CCC(C)(C)[C@@H](NCc1ccc(Cl)cc1F)C(=O)[O-] ZINC000563147031 321979868 /nfs/dbraw/zinc/97/98/68/321979868.db2.gz MDYLFBRGDFGVOY-LBPRGKRZSA-N -1 3 287.762 3.458 20 0 CGADHM CCC[C@@H](C(=O)[O-])N1CCc2sc(Cl)cc2C1 ZINC000564803256 322043869 /nfs/dbraw/zinc/04/38/69/322043869.db2.gz QGOZCWKXGZILMC-VIFPVBQESA-N -1 3 273.785 3.013 20 0 CGADHM C[C@H](c1cccc(Cl)c1)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000563886746 322014254 /nfs/dbraw/zinc/01/42/54/322014254.db2.gz XTCUETPCXKZNFB-GYSYKLTISA-N -1 3 281.783 3.444 20 0 CGADHM O=C([O-])C[C@@H](NCc1cccc(C2CC2)c1)c1ccncc1 ZINC000563899266 322015039 /nfs/dbraw/zinc/01/50/39/322015039.db2.gz SAERAMOJTVIRKK-QGZVFWFLSA-N -1 3 296.370 3.265 20 0 CGADHM [O-]c1cccc(/C=C/c2nc([C@@H]3CC34CC4)no2)c1 ZINC000564554805 322034139 /nfs/dbraw/zinc/03/41/39/322034139.db2.gz QGGYNIXJEKMYEA-ITKZLYELSA-N -1 3 254.289 3.213 20 0 CGADHM Cc1oc(C(=O)[O-])cc1CN1CCS[C@H]2CCCC[C@H]21 ZINC000565103349 322060425 /nfs/dbraw/zinc/06/04/25/322060425.db2.gz FGVUSUOTGOAFLM-OCCSQVGLSA-N -1 3 295.404 3.146 20 0 CGADHM C[C@@H](C(=O)Nc1c([O-])cccc1Cl)C1CCC1 ZINC000565198151 322066195 /nfs/dbraw/zinc/06/61/95/322066195.db2.gz CNDUCICGRATPAO-MRVPVSSYSA-N -1 3 253.729 3.420 20 0 CGADHM CC1(C)CCN(Cc2cc(C(=O)[O-])ccc2Cl)C1 ZINC000565838796 322093676 /nfs/dbraw/zinc/09/36/76/322093676.db2.gz RCEHGAHOBGKERK-UHFFFAOYSA-N -1 3 267.756 3.270 20 0 CGADHM Cc1noc([N-]C(=O)COc2ccccc2C(C)C)c1C ZINC000567298990 322158347 /nfs/dbraw/zinc/15/83/47/322158347.db2.gz CXRWVEPGBPGKSA-UHFFFAOYSA-N -1 3 288.347 3.432 20 0 CGADHM C[C@@H]1CCN(Cc2nc(C(=O)[O-])cs2)[C@H]2CCCC[C@H]12 ZINC000568059970 322190496 /nfs/dbraw/zinc/19/04/96/322190496.db2.gz NGSSLPGHCVETHW-WZRBSPASSA-N -1 3 294.420 3.242 20 0 CGADHM CCCCOc1ccc(C(=O)N2CCC[C@@H](F)C2)c([O-])c1 ZINC000568138041 322194553 /nfs/dbraw/zinc/19/45/53/322194553.db2.gz GZSIUHJGYNWPEK-GFCCVEGCSA-N -1 3 295.354 3.145 20 0 CGADHM CN(CCCCc1ccccc1)Cc1ccc(C(=O)[O-])cn1 ZINC000568520591 322212393 /nfs/dbraw/zinc/21/23/93/322212393.db2.gz HUVALKLMGHHWJT-UHFFFAOYSA-N -1 3 298.386 3.235 20 0 CGADHM O=C([O-])C[C@H]1CCCN(CCc2ccc(F)cc2Cl)C1 ZINC000568604894 322215351 /nfs/dbraw/zinc/21/53/51/322215351.db2.gz HFWFFTSUXOAGHD-LLVKDONJSA-N -1 3 299.773 3.208 20 0 CGADHM CC[C@H]1Cc2ccccc2CN1Cc1ccc(C(=O)[O-])o1 ZINC000568891722 322226659 /nfs/dbraw/zinc/22/66/59/322226659.db2.gz XKTZPTLGSAKOGE-AWEZNQCLSA-N -1 3 285.343 3.315 20 0 CGADHM CSc1ccccc1CN(C)Cc1ncccc1[O-] ZINC000570033423 322263411 /nfs/dbraw/zinc/26/34/11/322263411.db2.gz TZCXQAYFHRKEPX-UHFFFAOYSA-N -1 3 274.389 3.141 20 0 CGADHM COc1ccc(Cl)c(CN2CCC[C@H](C)[C@@H]2C(=O)[O-])c1 ZINC000570400395 322272577 /nfs/dbraw/zinc/27/25/77/322272577.db2.gz WUSWKFFXJPPFHA-IINYFYTJSA-N -1 3 297.782 3.034 20 0 CGADHM O=C([O-])c1cnc2ccccc2c1N1CCC(CF)CC1 ZINC000570454061 322273873 /nfs/dbraw/zinc/27/38/73/322273873.db2.gz IAYOPMQUYVWPAR-UHFFFAOYSA-N -1 3 288.322 3.119 20 0 CGADHM COc1ccc(CN[C@@H](CCC(C)(C)C)C(=O)[O-])c(F)c1 ZINC000570686011 322279595 /nfs/dbraw/zinc/27/95/95/322279595.db2.gz GIBXNFIEJZVPKA-AWEZNQCLSA-N -1 3 297.370 3.203 20 0 CGADHM CC[C@H](C)[C@@H](OC)C(=O)Nc1c([O-])cccc1Cl ZINC000571178147 322292243 /nfs/dbraw/zinc/29/22/43/322292243.db2.gz XSLMIHXRSVWJHB-QPUJVOFHSA-N -1 3 271.744 3.045 20 0 CGADHM C[C@H](c1ccc(C(=O)[O-])o1)N1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000571941376 322312984 /nfs/dbraw/zinc/31/29/84/322312984.db2.gz GZCODPQVZVISCK-YDEJPDAXSA-N -1 3 285.290 3.016 20 0 CGADHM COCC(C)(C)CC(=O)Nc1c([O-])cccc1Cl ZINC000573019064 322366443 /nfs/dbraw/zinc/36/64/43/322366443.db2.gz MFFHOIFDKUKPBG-UHFFFAOYSA-N -1 3 271.744 3.047 20 0 CGADHM CCc1cccc2c1N(C(=O)Cc1ccc([O-])c(F)c1)CC2 ZINC000573175011 322374373 /nfs/dbraw/zinc/37/43/73/322374373.db2.gz FKKYAPYDADBYPB-UHFFFAOYSA-N -1 3 299.345 3.226 20 0 CGADHM O=C(Nc1cc(Br)ccc1[O-])c1ccsc1 ZINC000176431947 327075420 /nfs/dbraw/zinc/07/54/20/327075420.db2.gz FGBGAKMAGLIMBY-UHFFFAOYSA-N -1 3 298.161 3.469 20 0 CGADHM CC(C)[C@H]1CN(Cc2ccc(C(=O)[O-])c(F)c2)CCS1 ZINC000582498317 329104278 /nfs/dbraw/zinc/10/42/78/329104278.db2.gz KAVITUXCDHZVTC-CQSZACIVSA-N -1 3 297.395 3.097 20 0 CGADHM Cc1oc(CN(C)[C@H]2CCc3ccccc32)cc1C(=O)[O-] ZINC000576114262 335156493 /nfs/dbraw/zinc/15/64/93/335156493.db2.gz QYPPFUAEDRGGHI-INIZCTEOSA-N -1 3 285.343 3.406 20 0 CGADHM Cc1cccc(CCC(=O)Nc2cc(F)ccc2[O-])c1 ZINC000174874483 335168280 /nfs/dbraw/zinc/16/82/80/335168280.db2.gz DXSSMYQJCDBJFC-UHFFFAOYSA-N -1 3 273.307 3.411 20 0 CGADHM CCc1ccccc1OCC(=O)Nc1cc(F)ccc1[O-] ZINC000174880389 335168436 /nfs/dbraw/zinc/16/84/36/335168436.db2.gz BRXMSOYVJQRCKP-UHFFFAOYSA-N -1 3 289.306 3.111 20 0 CGADHM CCO[C@H]1C[C@H](N(C)Cc2ccc(C(=O)[O-])s2)C1(C)C ZINC000576285496 335183204 /nfs/dbraw/zinc/18/32/04/335183204.db2.gz KBWROXMWFXBSOE-STQMWFEESA-N -1 3 297.420 3.082 20 0 CGADHM COc1cccc(CSCc2ncccc2[O-])c1 ZINC000576693058 335235382 /nfs/dbraw/zinc/23/53/82/335235382.db2.gz XEWZUSKWZLHRMT-UHFFFAOYSA-N -1 3 261.346 3.229 20 0 CGADHM CC(=O)c1cccc(NC(=O)[C@]2(C)CC=CCC2)c1[O-] ZINC000576825450 335252623 /nfs/dbraw/zinc/25/26/23/335252623.db2.gz HEXJTUFYOWZJKX-MRXNPFEDSA-N -1 3 273.332 3.280 20 0 CGADHM CCCCO[C@H]1C[C@H](N(C)Cc2ncccc2[O-])C1(C)C ZINC000577324778 335338737 /nfs/dbraw/zinc/33/87/37/335338737.db2.gz XMYZXBWPDVLTEM-HOTGVXAUSA-N -1 3 292.423 3.203 20 0 CGADHM Cc1ccc([C@@H]2CCN([C@H](C)c3nc(C)cc(=O)[n-]3)C2)cc1 ZINC000577457466 335354247 /nfs/dbraw/zinc/35/42/47/335354247.db2.gz OUXBBYPWRGYKNQ-GDBMZVCRSA-N -1 3 297.402 3.350 20 0 CGADHM C[C@H]1CCC[C@@H](c2nc(-c3ccc4n[n-]nc4c3)no2)C1 ZINC000577638790 335384346 /nfs/dbraw/zinc/38/43/46/335384346.db2.gz BFRPEORXGOUJRN-GXSJLCMTSA-N -1 3 283.335 3.302 20 0 CGADHM Cc1ccc(C)c(OCC(=O)Nc2c(C)cccc2[O-])c1 ZINC000179563628 335501133 /nfs/dbraw/zinc/50/11/33/335501133.db2.gz KXQLFOPAUGBUSO-UHFFFAOYSA-N -1 3 285.343 3.335 20 0 CGADHM COc1cc(-c2noc([C@@H](C)OCC(C)C)n2)ccc1[O-] ZINC000350588463 335517327 /nfs/dbraw/zinc/51/73/27/335517327.db2.gz XRKIYRXPYINQMQ-SNVBAGLBSA-N -1 3 292.335 3.184 20 0 CGADHM CCCCN(C)Cc1cccc(C(=O)[O-])c1Cl ZINC000381480265 336066312 /nfs/dbraw/zinc/06/63/12/336066312.db2.gz AGMOEFFFAMGWDD-UHFFFAOYSA-N -1 3 255.745 3.270 20 0 CGADHM CC[C@@H](C)N(Cc1oncc1C(=O)[O-])Cc1ccccc1 ZINC000387202609 336187751 /nfs/dbraw/zinc/18/77/51/336187751.db2.gz HXAZJPWXKZRPKY-GFCCVEGCSA-N -1 3 288.347 3.174 20 0 CGADHM Cc1cc(F)ccc1CN(C)C(=O)c1ccccc1[O-] ZINC000436730832 533875352 /nfs/dbraw/zinc/87/53/52/533875352.db2.gz YIVNVPKJHMABFJ-UHFFFAOYSA-N -1 3 273.307 3.112 20 0 CGADHM C[C@@H](CNC(=O)c1ccccc1[O-])Sc1ccccc1 ZINC000436719159 534045874 /nfs/dbraw/zinc/04/58/74/534045874.db2.gz NYMKOJLSUKYNTB-LBPRGKRZSA-N -1 3 287.384 3.303 20 0 CGADHM Cc1ccc(CN[C@H](C(=O)[O-])c2ccc(F)cc2)cc1F ZINC000426783148 534085257 /nfs/dbraw/zinc/08/52/57/534085257.db2.gz IVAFXBSVUJFKFU-HNNXBMFYSA-N -1 3 291.297 3.189 20 0 CGADHM Cc1ccc(CN[C@H](C(=O)[O-])c2ccsc2)cc1F ZINC000426782572 534085841 /nfs/dbraw/zinc/08/58/41/534085841.db2.gz GWNRBCGCJFKUKC-ZDUSSCGKSA-N -1 3 279.336 3.111 20 0 CGADHM Cc1cc(C)nc(NC(=O)c2ccc(C)c(C)c2[O-])c1 ZINC000436603673 534139992 /nfs/dbraw/zinc/13/99/92/534139992.db2.gz MPIIZUPNGIFEJL-UHFFFAOYSA-N -1 3 270.332 3.273 20 0 CGADHM C[C@H](C(=O)Nc1cc(Cl)ccc1[O-])N1CCCCCC1 ZINC000439096603 534296686 /nfs/dbraw/zinc/29/66/86/534296686.db2.gz MMIDFSYRWJYCOX-LLVKDONJSA-N -1 3 296.798 3.249 20 0 CGADHM O=C(Nc1ccccc1[O-])[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000175083167 534397915 /nfs/dbraw/zinc/39/79/15/534397915.db2.gz QPQZFPFLOMLWIU-GHMZBOCLSA-N -1 3 289.281 3.413 20 0 CGADHM Cc1noc2nc(C)cc(C(=O)Nc3c(C)cccc3[O-])c12 ZINC000179554443 534485078 /nfs/dbraw/zinc/48/50/78/534485078.db2.gz LAVIWBKECRRSED-UHFFFAOYSA-N -1 3 297.314 3.106 20 0 CGADHM O=C([O-])Cc1ccccc1CNCc1cc2ccccc2o1 ZINC000426712705 534507873 /nfs/dbraw/zinc/50/78/73/534507873.db2.gz YERWSXRXXWUZCF-UHFFFAOYSA-N -1 3 295.338 3.350 20 0 CGADHM CC1(CNC(=O)Cc2ccc([O-])cc2Cl)CCCC1 ZINC000150975791 520710278 /nfs/dbraw/zinc/71/02/78/520710278.db2.gz QMNRRQNZWGXTAI-UHFFFAOYSA-N -1 3 281.783 3.285 20 0 CGADHM O=C([O-])[C@H](NCc1cccc(F)c1)c1cccc(Cl)c1 ZINC000426730969 534530830 /nfs/dbraw/zinc/53/08/30/534530830.db2.gz NCPMGFBAJRGXLK-CQSZACIVSA-N -1 3 293.725 3.395 20 0 CGADHM Cc1cccc(C(=O)N2CCc3cccc(C)c3C2)c1[O-] ZINC000436852342 534597186 /nfs/dbraw/zinc/59/71/86/534597186.db2.gz PEGNFYFEVJPYFU-UHFFFAOYSA-N -1 3 281.355 3.208 20 0 CGADHM Cc1cccc(C(=O)N[C@H]2CCCO[C@H]2CC(C)C)c1[O-] ZINC000436561857 534623334 /nfs/dbraw/zinc/62/33/34/534623334.db2.gz KWOVGHISLOCQNX-GJZGRUSLSA-N -1 3 291.391 3.024 20 0 CGADHM CCc1ncsc1NC(=O)Cc1ccc([O-])cc1Cl ZINC000154023499 522629856 /nfs/dbraw/zinc/62/98/56/522629856.db2.gz KPVJTLMQRUNMIH-UHFFFAOYSA-N -1 3 296.779 3.246 20 0 CGADHM CCc1onc(C)c1[N-]C(=O)c1cnc(C(C)C)s1 ZINC000089408938 523062474 /nfs/dbraw/zinc/06/24/74/523062474.db2.gz SPJARSBAFIZNBB-UHFFFAOYSA-N -1 3 279.365 3.378 20 0 CGADHM O=C(N[C@@H]1CC[C@H]2CCCC[C@H]2C1)c1ccc(O)cc1[O-] ZINC000436764462 534772455 /nfs/dbraw/zinc/77/24/55/534772455.db2.gz QYVICIIORHIOHT-FRRDWIJNSA-N -1 3 289.375 3.187 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CCC[C@@H]3CCC[C@@H]32)c1 ZINC000087777535 525332874 /nfs/dbraw/zinc/33/28/74/525332874.db2.gz DSAWQFAQVHTZCR-JSGCOSHPSA-N -1 3 259.349 3.105 20 0 CGADHM Cc1ccc([O-])c(CN[C@@H](C)c2ccc(F)cc2F)n1 ZINC000103340735 525351409 /nfs/dbraw/zinc/35/14/09/525351409.db2.gz DPKIXXGXBYXUHQ-JTQLQIEISA-N -1 3 278.302 3.225 20 0 CGADHM Cc1ccc(C(=O)N2CCC(C(F)(F)F)CC2)c([O-])c1 ZINC000088431946 526083096 /nfs/dbraw/zinc/08/30/96/526083096.db2.gz ZQGZTFUXFKPZBG-UHFFFAOYSA-N -1 3 287.281 3.115 20 0 CGADHM [O-]c1cccc(CNC2(CCO)CCCCC2)c1Cl ZINC000339294261 527533436 /nfs/dbraw/zinc/53/34/36/527533436.db2.gz REYFBJNVXUBXHH-UHFFFAOYSA-N -1 3 283.799 3.221 20 0 CGADHM CCCCn1ncc(NC(=O)c2ccc([O-])c(C)c2)c1C ZINC000436937054 527706954 /nfs/dbraw/zinc/70/69/54/527706954.db2.gz HKXWDSRHHHHKER-UHFFFAOYSA-N -1 3 287.363 3.258 20 0 CGADHM CCN=c1[n-]c(C(=O)N2CCC(CC)(CC)CC2)cs1 ZINC000362476527 527997596 /nfs/dbraw/zinc/99/75/96/527997596.db2.gz KQGSLKBFKHPHIH-UHFFFAOYSA-N -1 3 295.452 3.039 20 0 CGADHM CC(C)[C@@H](C(=O)[O-])[C@H](C)NCc1c(F)cccc1Cl ZINC000424608210 528377452 /nfs/dbraw/zinc/37/74/52/528377452.db2.gz AFEYCAJBPWPZKV-TVQRCGJNSA-N -1 3 287.762 3.314 20 0 CGADHM CCOC1(C(=O)Nc2ccc(Cl)cc2[O-])CCCC1 ZINC000285642224 528439395 /nfs/dbraw/zinc/43/93/95/528439395.db2.gz BPDCYVZXEJQFPH-UHFFFAOYSA-N -1 3 283.755 3.333 20 0 CGADHM CCCCOc1ccc(C(=O)N(C)CC(C)C)c([O-])c1 ZINC000436972769 528657478 /nfs/dbraw/zinc/65/74/78/528657478.db2.gz QNTCEKQQDFOTLR-UHFFFAOYSA-N -1 3 279.380 3.299 20 0 CGADHM CCCCOc1ccc(C(=O)N2CC(C)(CC)C2)c([O-])c1 ZINC000436658188 528659214 /nfs/dbraw/zinc/65/92/14/528659214.db2.gz YGDSZIOIPHSDPZ-UHFFFAOYSA-N -1 3 291.391 3.443 20 0 CGADHM CC(C)[C@@H]1CCN1C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000436977669 528704493 /nfs/dbraw/zinc/70/44/93/528704493.db2.gz GGBYCMMHSMNNPH-HNNXBMFYSA-N -1 3 273.376 3.142 20 0 CGADHM CCCc1ncc(C(=O)[N-]c2nnc(CCC)s2)s1 ZINC000152642944 528765356 /nfs/dbraw/zinc/76/53/56/528765356.db2.gz VGQMAJCCOQLIJA-UHFFFAOYSA-N -1 3 296.421 3.152 20 0 CGADHM CCN(C(=O)Cc1ccc([O-])c(F)c1)C1CCCCC1 ZINC000448658560 528975778 /nfs/dbraw/zinc/97/57/78/528975778.db2.gz UGUURDLVZDOEOB-UHFFFAOYSA-N -1 3 279.355 3.255 20 0 CGADHM CCCC[C@H]1CCC[C@H]1NC(=O)c1ccc(O)cc1[O-] ZINC000436535400 529005583 /nfs/dbraw/zinc/00/55/83/529005583.db2.gz ZUJFLQNIZICUNW-SMDDNHRTSA-N -1 3 277.364 3.187 20 0 CGADHM CCN(C(=O)c1ccc(O)cc1[O-])[C@H]1CCCC[C@H]1C ZINC000171242865 529084728 /nfs/dbraw/zinc/08/47/28/529084728.db2.gz AQAIWQKLILIPGO-RISCZKNCSA-N -1 3 277.364 3.139 20 0 CGADHM CC1(C)CN(C(=O)c2ccccc2[O-])CC(C)(C)C1 ZINC000436745173 529107655 /nfs/dbraw/zinc/10/76/55/529107655.db2.gz SMKXVUZRAYDCLH-UHFFFAOYSA-N -1 3 261.365 3.291 20 0 CGADHM CC1(C)C[C@@H](CN=c2[n-]cc(C(F)(F)F)s2)CCO1 ZINC000413336207 529135455 /nfs/dbraw/zinc/13/54/55/529135455.db2.gz MITVKSFJBJLBHW-QMMMGPOBSA-N -1 3 294.342 3.201 20 0 CGADHM CCS[C@H]1CCC[C@H](NC(=O)c2ccc([O-])c(C)c2)C1 ZINC000436927314 529230672 /nfs/dbraw/zinc/23/06/72/529230672.db2.gz RRQMJGBERWSKJG-KBPBESRZSA-N -1 3 293.432 3.495 20 0 CGADHM CC[C@H](C)[C@H]([N-]C(=O)CC(F)(F)F)C(F)(F)F ZINC000436181015 529251371 /nfs/dbraw/zinc/25/13/71/529251371.db2.gz NFNPACGOLBJRMI-FSPLSTOPSA-N -1 3 265.197 3.032 20 0 CGADHM CCSc1cccnc1C(=O)[N-]c1c(C)onc1CC ZINC000410617696 529259386 /nfs/dbraw/zinc/25/93/86/529259386.db2.gz LELFQQVMWVPIRT-UHFFFAOYSA-N -1 3 291.376 3.305 20 0 CGADHM CC[C@H](C)c1ncc(NC(=O)c2cc(C)ccc2[O-])cn1 ZINC000436917904 529281035 /nfs/dbraw/zinc/28/10/35/529281035.db2.gz COAUDYUGDKCLBK-NSHDSACASA-N -1 3 285.347 3.256 20 0 CGADHM CC1(C)CCN(Cc2cc(=O)[n-]c(-c3ccccc3)n2)C1 ZINC000459364767 535316041 /nfs/dbraw/zinc/31/60/41/535316041.db2.gz WLAXCDYAJOZBMQ-UHFFFAOYSA-N -1 3 283.375 3.081 20 0 CGADHM CC(C)c1cc(C(=O)NC(C)(C)CO)c([O-])c(C(C)C)c1 ZINC000481832509 535359988 /nfs/dbraw/zinc/35/99/88/535359988.db2.gz YNJKAVGHXGTTSR-UHFFFAOYSA-N -1 3 293.407 3.140 20 0 CGADHM CC[C@@H]1CCC[C@H]1CNC(=O)NCc1ccc([O-])c(F)c1 ZINC000455269624 535822567 /nfs/dbraw/zinc/82/25/67/535822567.db2.gz GRWWRXZUYZJOIV-OLZOCXBDSA-N -1 3 294.370 3.157 20 0 CGADHM CC[C@](C)(CO)C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000518794427 535829193 /nfs/dbraw/zinc/82/91/93/535829193.db2.gz DCPKTLHETLREOW-MRXNPFEDSA-N -1 3 279.380 3.037 20 0 CGADHM CCc1cccc(C(=O)NC[C@H](C)CC(F)(F)F)c1[O-] ZINC000516011249 535849882 /nfs/dbraw/zinc/84/98/82/535849882.db2.gz KPUAIQAPSFNXHN-SECBINFHSA-N -1 3 289.297 3.273 20 0 CGADHM CCc1cc(C(=O)N2CC[C@@H](C(C)C)C2)ccc1[O-] ZINC000486752865 536111341 /nfs/dbraw/zinc/11/13/41/536111341.db2.gz VEIKZWMNRWWAFZ-CQSZACIVSA-N -1 3 261.365 3.073 20 0 CGADHM COc1cc(C)cc(C(=O)N(C)c2cccc(C)c2)c1[O-] ZINC000094093614 536627675 /nfs/dbraw/zinc/62/76/75/536627675.db2.gz YJKCDEFMGZGXPR-UHFFFAOYSA-N -1 3 285.343 3.294 20 0 CGADHM CCCCCCOCC(=O)[N-]c1cc(C(F)(F)F)no1 ZINC000748352414 572974415 /nfs/dbraw/zinc/97/44/15/572974415.db2.gz FNXDIVVDIHWOKB-UHFFFAOYSA-N -1 3 294.273 3.229 20 0 CGADHM CCc1ccc(CN[C@@H](C(=O)[O-])c2ccc(OC)cc2)cc1 ZINC000737265891 572334895 /nfs/dbraw/zinc/33/48/95/572334895.db2.gz WNNANDHQCNIUFU-QGZVFWFLSA-N -1 3 299.370 3.173 20 0 CGADHM CCOC1CC(N(C)C(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000291021495 572335541 /nfs/dbraw/zinc/33/55/41/572335541.db2.gz XUDZVGIJUDRBDW-UHFFFAOYSA-N -1 3 299.370 3.185 20 0 CGADHM CN(Cc1cc2ccccc2nc1Cl)C(C)(C)C(=O)[O-] ZINC000737452181 572344436 /nfs/dbraw/zinc/34/44/36/572344436.db2.gz YRZNMGSPVQGBPJ-UHFFFAOYSA-N -1 3 292.766 3.183 20 0 CGADHM CN(Cc1ccc(F)cc1)[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000737472693 572347227 /nfs/dbraw/zinc/34/72/27/572347227.db2.gz XGNBSJQNYHPSIC-HNNXBMFYSA-N -1 3 291.297 3.223 20 0 CGADHM Cc1cccc(C)c1CO[N-]C(=O)CCOc1ccccc1 ZINC000738289401 572370102 /nfs/dbraw/zinc/37/01/02/572370102.db2.gz OMADFWICEPCYCN-UHFFFAOYSA-N -1 3 299.370 3.320 20 0 CGADHM c1csc(SCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000738451630 572376193 /nfs/dbraw/zinc/37/61/93/572376193.db2.gz ITSTYCOIMDTATN-UHFFFAOYSA-N -1 3 274.374 3.221 20 0 CGADHM c1csc(SCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738451630 572376197 /nfs/dbraw/zinc/37/61/97/572376197.db2.gz ITSTYCOIMDTATN-UHFFFAOYSA-N -1 3 274.374 3.221 20 0 CGADHM O=C([O-])[C@H](NC/C=C\c1ccccc1)c1ccc(F)cc1 ZINC000739506406 572418673 /nfs/dbraw/zinc/41/86/73/572418673.db2.gz FWQYPNTVTDNBLO-HQQUCIOCSA-N -1 3 285.318 3.254 20 0 CGADHM O=C([O-])NC1CCC(NCc2ccccc2Cl)CC1 ZINC000740559435 572446232 /nfs/dbraw/zinc/44/62/32/572446232.db2.gz DLMUUIYYUGLRLN-UHFFFAOYSA-N -1 3 282.771 3.008 20 0 CGADHM Cc1cc(C)c(COC(=O)c2cncc([O-])c2)c(C)c1 ZINC000732391628 572462034 /nfs/dbraw/zinc/46/20/34/572462034.db2.gz KRTVFROJTHXMGM-UHFFFAOYSA-N -1 3 271.316 3.069 20 0 CGADHM CC(C)(C)C(=O)[N-]OCc1coc(-c2ccc(F)cc2)n1 ZINC000732805721 572484123 /nfs/dbraw/zinc/48/41/23/572484123.db2.gz HGNQWOLIZSDXIO-UHFFFAOYSA-N -1 3 292.310 3.075 20 0 CGADHM CC[C@H](NC[C@@H]1CCCN1C(=O)[O-])c1ccc(F)cc1 ZINC000739275536 572539161 /nfs/dbraw/zinc/53/91/61/572539161.db2.gz ZTQJRMVSDZCVBE-KBPBESRZSA-N -1 3 280.343 3.009 20 0 CGADHM CCCCC[C@@H](N=c1ncnc2[nH][n-]cc1-2)c1ccccc1 ZINC000733190330 572541495 /nfs/dbraw/zinc/54/14/95/572541495.db2.gz TULLRJDPIIRANW-OAHLLOKOSA-N -1 3 295.390 3.460 20 0 CGADHM CCCCCC[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000743290975 572646719 /nfs/dbraw/zinc/64/67/19/572646719.db2.gz PRQVIIAOSQCOMD-NSHDSACASA-N -1 3 250.342 3.332 20 0 CGADHM Cc1c2ccccc2oc1C(=O)[N-]c1nc(C2CC2)no1 ZINC000734878283 572690142 /nfs/dbraw/zinc/69/01/42/572690142.db2.gz HUFFFTRKKFSSED-UHFFFAOYSA-N -1 3 283.287 3.254 20 0 CGADHM CCc1sc(C(=O)[N-]c2nc(C3CC3)no2)cc1C ZINC000734878819 572690267 /nfs/dbraw/zinc/69/02/67/572690267.db2.gz OFSOPYLEZBJPFI-UHFFFAOYSA-N -1 3 277.349 3.132 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-]C2[C@@H](C)CCC[C@@H]2C)c(F)c1 ZINC000735082812 572699785 /nfs/dbraw/zinc/69/97/85/572699785.db2.gz QSHRFALLTZRACB-RYUDHWBXSA-N -1 3 299.411 3.237 20 0 CGADHM C[C@H](COC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000735124521 572702118 /nfs/dbraw/zinc/70/21/18/572702118.db2.gz OBKZFEIIQYCHQK-GFCCVEGCSA-N -1 3 256.301 3.353 20 0 CGADHM CC(C)CCSCc1ccc(F)cc1-c1nnn[n-]1 ZINC000735818715 572742795 /nfs/dbraw/zinc/74/27/95/572742795.db2.gz CMTDCXCXPNDTDU-UHFFFAOYSA-N -1 3 280.372 3.285 20 0 CGADHM CC(C)CCSCc1ccc(F)cc1-c1nn[n-]n1 ZINC000735818715 572742799 /nfs/dbraw/zinc/74/27/99/572742799.db2.gz CMTDCXCXPNDTDU-UHFFFAOYSA-N -1 3 280.372 3.285 20 0 CGADHM O=C(OCC(F)(F)C(F)F)c1cc2ccsc2[n-]1 ZINC000744543623 572762258 /nfs/dbraw/zinc/76/22/58/572762258.db2.gz YHIOFTBRKBQLIU-UHFFFAOYSA-N -1 3 281.230 3.287 20 0 CGADHM C[C@@H](CSc1cc(-c2nnn[n-]2)ccn1)c1ccccc1 ZINC000736046428 572765506 /nfs/dbraw/zinc/76/55/06/572765506.db2.gz JJGOPGVJYDUVOA-NSHDSACASA-N -1 3 297.387 3.158 20 0 CGADHM C[C@@H](CSc1cc(-c2nn[n-]n2)ccn1)c1ccccc1 ZINC000736046428 572765510 /nfs/dbraw/zinc/76/55/10/572765510.db2.gz JJGOPGVJYDUVOA-NSHDSACASA-N -1 3 297.387 3.158 20 0 CGADHM C[C@@H]1CCC[C@@H](CC(=O)Nc2ccccc2-c2nnn[n-]2)C1 ZINC000736254065 572777258 /nfs/dbraw/zinc/77/72/58/572777258.db2.gz XPCLKUWXPVLADL-VXGBXAGGSA-N -1 3 299.378 3.022 20 0 CGADHM C[C@@H]1CCC[C@@H](CC(=O)Nc2ccccc2-c2nn[n-]n2)C1 ZINC000736254065 572777261 /nfs/dbraw/zinc/77/72/61/572777261.db2.gz XPCLKUWXPVLADL-VXGBXAGGSA-N -1 3 299.378 3.022 20 0 CGADHM O=C(NCc1cccc(O)c1)c1cc([O-])c2ccccc2c1 ZINC000352946403 572815544 /nfs/dbraw/zinc/81/55/44/572815544.db2.gz VTDRSAHMLYUEOL-UHFFFAOYSA-N -1 3 293.322 3.181 20 0 CGADHM C[C@@H]1CN(C(=O)c2cc([O-])c3ccccc3c2)[C@@H](C)[C@@H](C)O1 ZINC000356011031 572841478 /nfs/dbraw/zinc/84/14/78/572841478.db2.gz PTPHPFKZXJEHBL-FRRDWIJNSA-N -1 3 299.370 3.183 20 0 CGADHM CC/C=C(\C)C(=O)Nc1ccc(Br)cc1[O-] ZINC000747151127 572912757 /nfs/dbraw/zinc/91/27/57/572912757.db2.gz AMUPHZINKAXALF-XBXARRHUSA-N -1 3 284.153 3.450 20 0 CGADHM CCS[C@H](C(=O)[N-]c1cc(C(F)(F)F)no1)C(C)C ZINC000748354071 572975012 /nfs/dbraw/zinc/97/50/12/572975012.db2.gz BEXSOJQNSLZMBU-VIFPVBQESA-N -1 3 296.314 3.410 20 0 CGADHM CC(C)CO[N-]C(=O)Cc1ccc(CC(C)C)cc1 ZINC000750006290 573070162 /nfs/dbraw/zinc/07/01/62/573070162.db2.gz BGASQSQKJGLVIY-UHFFFAOYSA-N -1 3 263.381 3.131 20 0 CGADHM CCc1ccc([C@H](C)CC(=O)[N-]OCC(C)C)cc1 ZINC000750005095 573072623 /nfs/dbraw/zinc/07/26/23/573072623.db2.gz AYMOXYHNLAVANB-CYBMUJFWSA-N -1 3 263.381 3.446 20 0 CGADHM Cc1ccc(NC(=O)c2ccc(N)cc2[O-])cc1Cl ZINC000750788803 573180096 /nfs/dbraw/zinc/18/00/96/573180096.db2.gz USAJXLOIHGCVTO-UHFFFAOYSA-N -1 3 276.723 3.189 20 0 CGADHM Cc1ccc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822254118 599364061 /nfs/dbraw/zinc/36/40/61/599364061.db2.gz AQZOZWZEBUWDLH-GFCCVEGCSA-N -1 3 279.347 3.348 20 0 CGADHM Cc1ccc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822254118 599364062 /nfs/dbraw/zinc/36/40/62/599364062.db2.gz AQZOZWZEBUWDLH-GFCCVEGCSA-N -1 3 279.347 3.348 20 0 CGADHM C[C@@H](Sc1ccccc1-c1nnn[n-]1)c1cccnc1 ZINC000820555558 599347424 /nfs/dbraw/zinc/34/74/24/599347424.db2.gz MUDYJTHOEJZAEJ-SNVBAGLBSA-N -1 3 283.360 3.115 20 0 CGADHM C[C@@H](Sc1ccccc1-c1nn[n-]n1)c1cccnc1 ZINC000820555558 599347427 /nfs/dbraw/zinc/34/74/27/599347427.db2.gz MUDYJTHOEJZAEJ-SNVBAGLBSA-N -1 3 283.360 3.115 20 0 CGADHM Fc1ccc(CSc2ccccc2-c2nnn[n-]2)cc1 ZINC000822774522 599348098 /nfs/dbraw/zinc/34/80/98/599348098.db2.gz LGWBWWMLABLNDP-UHFFFAOYSA-N -1 3 286.335 3.298 20 0 CGADHM Fc1ccc(CSc2ccccc2-c2nn[n-]n2)cc1 ZINC000822774522 599348100 /nfs/dbraw/zinc/34/81/00/599348100.db2.gz LGWBWWMLABLNDP-UHFFFAOYSA-N -1 3 286.335 3.298 20 0 CGADHM CN(CC1CCCC1)c1c(Cl)cccc1-c1nnn[n-]1 ZINC000821596632 599503653 /nfs/dbraw/zinc/50/36/53/599503653.db2.gz QHRHGDREYXHGJG-UHFFFAOYSA-N -1 3 291.786 3.147 20 0 CGADHM CN(CC1CCCC1)c1c(Cl)cccc1-c1nn[n-]n1 ZINC000821596632 599503656 /nfs/dbraw/zinc/50/36/56/599503656.db2.gz QHRHGDREYXHGJG-UHFFFAOYSA-N -1 3 291.786 3.147 20 0 CGADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1NCC1CCC1 ZINC000737628025 599520819 /nfs/dbraw/zinc/52/08/19/599520819.db2.gz UFTQDSCRAHMKSW-UHFFFAOYSA-N -1 3 297.284 3.098 20 0 CGADHM CC(C)[C@H](C)CNc1c(Cl)cccc1-c1nnn[n-]1 ZINC000820015911 599565787 /nfs/dbraw/zinc/56/57/87/599565787.db2.gz IACGKGZDXMWZGA-SECBINFHSA-N -1 3 279.775 3.224 20 0 CGADHM CC(C)[C@H](C)CNc1c(Cl)cccc1-c1nn[n-]n1 ZINC000820015911 599565789 /nfs/dbraw/zinc/56/57/89/599565789.db2.gz IACGKGZDXMWZGA-SECBINFHSA-N -1 3 279.775 3.224 20 0 CGADHM CCC[C@](C)(NCc1cc(-c2cccs2)on1)C(=O)[O-] ZINC000036808390 600322149 /nfs/dbraw/zinc/32/21/49/600322149.db2.gz HELCPTHQFKCUTG-AWEZNQCLSA-N -1 3 294.376 3.136 20 0 CGADHM CCC[C@](C)(NCc1csc(-c2ccco2)n1)C(=O)[O-] ZINC000036808100 600505344 /nfs/dbraw/zinc/50/53/44/600505344.db2.gz AGRIPNPNIGKJFE-AWEZNQCLSA-N -1 3 294.376 3.136 20 0 CGADHM C/C(=C\CN1CC=C(c2c[nH]c3ccccc32)CC1)C(=O)[O-] ZINC000825735118 601155657 /nfs/dbraw/zinc/15/56/57/601155657.db2.gz NFVJUDVIIBTHPV-AWNIVKPZSA-N -1 3 296.370 3.288 20 0 CGADHM Cc1[n-]n(Cc2cccc3cccnc32)c(=O)c1C(C)C ZINC000899348339 620650917 /nfs/dbraw/zinc/65/09/17/620650917.db2.gz VKOYQCXQGAGPGY-OAHLLOKOSA-N -1 3 281.359 3.225 20 0 CGADHM C[C@H](c1ccc(C(=O)[O-])o1)N1CCC(OC(C)(C)C)CC1 ZINC000827929279 602336908 /nfs/dbraw/zinc/33/69/08/602336908.db2.gz YLIJALWLQULCFT-LLVKDONJSA-N -1 3 295.379 3.318 20 0 CGADHM Cc1[n-]n(-c2ccnc3ccccc32)c(=O)c1C(C)C ZINC000899350886 620656008 /nfs/dbraw/zinc/65/60/08/620656008.db2.gz SLHBGSFDEVSSAG-HNNXBMFYSA-N -1 3 267.332 3.230 20 0 CGADHM CC(C)(C)c1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000824136431 607643956 /nfs/dbraw/zinc/64/39/56/607643956.db2.gz QRTSTYBXLKVAGL-UHFFFAOYSA-N -1 3 285.376 3.288 20 0 CGADHM CC(C)(C)c1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000824136431 607643958 /nfs/dbraw/zinc/64/39/58/607643958.db2.gz QRTSTYBXLKVAGL-UHFFFAOYSA-N -1 3 285.376 3.288 20 0 CGADHM Cc1[n-]n([C@H](C)c2ccc(C(C)C)cc2)c(=O)c1F ZINC000899359696 620664153 /nfs/dbraw/zinc/66/41/53/620664153.db2.gz FLWFQVUROXOOAO-BXUZGUMPSA-N -1 3 262.328 3.427 20 0 CGADHM C[C@@H](NCC[C@@H]1CCN(C(=O)[O-])C1)c1cc(F)ccc1F ZINC000825490614 604288423 /nfs/dbraw/zinc/28/84/23/604288423.db2.gz NBSJERWDWDEBRQ-GHMZBOCLSA-N -1 3 298.333 3.005 20 0 CGADHM C[C@H]1C[C@H](N[C@H]2CCN(C(=O)[O-])C2)c2ccsc2S1 ZINC000829820815 604316693 /nfs/dbraw/zinc/31/66/93/604316693.db2.gz JEPXHENJKRXQEP-QXEWZRGKSA-N -1 3 298.433 3.015 20 0 CGADHM O=C([O-])c1cc(CN2CCC[C@@H]2c2ccsc2)c[nH]1 ZINC000833779166 604536134 /nfs/dbraw/zinc/53/61/34/604536134.db2.gz JVCNOAOBDXCXGV-CYBMUJFWSA-N -1 3 276.361 3.112 20 0 CGADHM Cc1cc(C)cc([C@H](C)N[C@@H](C(=O)[O-])c2cccnc2)c1 ZINC000832874572 605001071 /nfs/dbraw/zinc/00/10/71/605001071.db2.gz JLNGIONGIJGERV-XJKSGUPXSA-N -1 3 284.359 3.175 20 0 CGADHM C(=Cc1nc2ccccc2o1)c1cc(-c2nnn[n-]2)cs1 ZINC000819710117 606303393 /nfs/dbraw/zinc/30/33/93/606303393.db2.gz WOZUIGAWQMNIKV-AATRIKPKSA-N -1 3 295.327 3.240 20 0 CGADHM C(=Cc1nc2ccccc2o1)c1cc(-c2nn[n-]n2)cs1 ZINC000819710117 606303396 /nfs/dbraw/zinc/30/33/96/606303396.db2.gz WOZUIGAWQMNIKV-AATRIKPKSA-N -1 3 295.327 3.240 20 0 CGADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C1CC1 ZINC000820456803 606448543 /nfs/dbraw/zinc/44/85/43/606448543.db2.gz WBMATIHYCOEGFY-SSDOTTSWSA-N -1 3 297.284 3.096 20 0 CGADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C1CC1 ZINC000820456803 606448545 /nfs/dbraw/zinc/44/85/45/606448545.db2.gz WBMATIHYCOEGFY-SSDOTTSWSA-N -1 3 297.284 3.096 20 0 CGADHM Cc1cc(C)cc(NCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822196412 606642129 /nfs/dbraw/zinc/64/21/29/606642129.db2.gz INIMQBMCVSEZRK-UHFFFAOYSA-N -1 3 279.347 3.096 20 0 CGADHM Cc1cc(C)cc(NCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822196412 606642130 /nfs/dbraw/zinc/64/21/30/606642130.db2.gz INIMQBMCVSEZRK-UHFFFAOYSA-N -1 3 279.347 3.096 20 0 CGADHM c1cc2nc(NCC3CCCC3)ccc2cc1-c1nnn[n-]1 ZINC000826518513 607839929 /nfs/dbraw/zinc/83/99/29/607839929.db2.gz PXSKVGMGWOWTHU-UHFFFAOYSA-N -1 3 294.362 3.017 20 0 CGADHM c1cc2nc(NCC3CCCC3)ccc2cc1-c1nn[n-]n1 ZINC000826518513 607839930 /nfs/dbraw/zinc/83/99/30/607839930.db2.gz PXSKVGMGWOWTHU-UHFFFAOYSA-N -1 3 294.362 3.017 20 0 CGADHM CC(C)OCCSc1ccc(-c2nnn[n-]2)cc1Cl ZINC000824314537 607843540 /nfs/dbraw/zinc/84/35/40/607843540.db2.gz DRHFTWJOIOUCET-UHFFFAOYSA-N -1 3 298.799 3.037 20 0 CGADHM CC(C)OCCSc1ccc(-c2nn[n-]n2)cc1Cl ZINC000824314537 607843541 /nfs/dbraw/zinc/84/35/41/607843541.db2.gz DRHFTWJOIOUCET-UHFFFAOYSA-N -1 3 298.799 3.037 20 0 CGADHM C[C@@H](Nc1cc(-c2nnn[n-]2)c2ccccc2n1)C1CCC1 ZINC000824648367 607903737 /nfs/dbraw/zinc/90/37/37/607903737.db2.gz DXIFYXOXLWYMPT-SNVBAGLBSA-N -1 3 294.362 3.015 20 0 CGADHM C[C@@H](Nc1cc(-c2nn[n-]n2)c2ccccc2n1)C1CCC1 ZINC000824648367 607903738 /nfs/dbraw/zinc/90/37/38/607903738.db2.gz DXIFYXOXLWYMPT-SNVBAGLBSA-N -1 3 294.362 3.015 20 0 CGADHM Cc1cccc(CNc2cccc(-c3nnn[n-]3)c2)c1C ZINC000043314020 608866608 /nfs/dbraw/zinc/86/66/08/608866608.db2.gz YCDKBLMMNZLRQP-UHFFFAOYSA-N -1 3 279.347 3.096 20 0 CGADHM Cc1cccc(CNc2cccc(-c3nn[n-]n3)c2)c1C ZINC000043314020 608866611 /nfs/dbraw/zinc/86/66/11/608866611.db2.gz YCDKBLMMNZLRQP-UHFFFAOYSA-N -1 3 279.347 3.096 20 0 CGADHM Cc1cc(C)cc(N(C)Cc2ccc(-c3nnn[n-]3)s2)c1 ZINC000826264238 609174219 /nfs/dbraw/zinc/17/42/19/609174219.db2.gz GVTTXNPWAJJLSF-UHFFFAOYSA-N -1 3 299.403 3.181 20 0 CGADHM Cc1ccc(CNc2ccc(Cl)c(-c3nnn[n-]3)c2)cc1 ZINC000826288797 609199524 /nfs/dbraw/zinc/19/95/24/609199524.db2.gz XHUUTRGTDRAYDD-UHFFFAOYSA-N -1 3 299.765 3.441 20 0 CGADHM Cc1ccc(CNc2ccc(Cl)c(-c3nn[n-]n3)c2)cc1 ZINC000826288797 609199525 /nfs/dbraw/zinc/19/95/25/609199525.db2.gz XHUUTRGTDRAYDD-UHFFFAOYSA-N -1 3 299.765 3.441 20 0 CGADHM CC(=O)c1ccc(-c2nnn[n-]2)c(NC2CCCCCC2)c1 ZINC000824015763 609211592 /nfs/dbraw/zinc/21/15/92/609211592.db2.gz XXLRUZYLJMCKMZ-UHFFFAOYSA-N -1 3 299.378 3.204 20 0 CGADHM CC(=O)c1ccc(-c2nn[n-]n2)c(NC2CCCCCC2)c1 ZINC000824015763 609211594 /nfs/dbraw/zinc/21/15/94/609211594.db2.gz XXLRUZYLJMCKMZ-UHFFFAOYSA-N -1 3 299.378 3.204 20 0 CGADHM Cc1ccc(F)cc1N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826290010 609272571 /nfs/dbraw/zinc/27/25/71/609272571.db2.gz WHDBKFZMXVVXGU-NSHDSACASA-N -1 3 297.337 3.487 20 0 CGADHM Cc1ccc(F)cc1N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826290010 609272573 /nfs/dbraw/zinc/27/25/73/609272573.db2.gz WHDBKFZMXVVXGU-NSHDSACASA-N -1 3 297.337 3.487 20 0 CGADHM Cc1cc(F)ccc1CNc1cccc(-c2nnn[n-]2)c1C ZINC000826268970 609487054 /nfs/dbraw/zinc/48/70/54/609487054.db2.gz VZCMRWLTWOHIBE-UHFFFAOYSA-N -1 3 297.337 3.235 20 0 CGADHM Cc1cc(F)ccc1CNc1cccc(-c2nn[n-]n2)c1C ZINC000826268970 609487055 /nfs/dbraw/zinc/48/70/55/609487055.db2.gz VZCMRWLTWOHIBE-UHFFFAOYSA-N -1 3 297.337 3.235 20 0 CGADHM CO[N-]C(=O)/C(=C\c1ccc(F)cc1)c1cccs1 ZINC000073811242 617726533 /nfs/dbraw/zinc/72/65/33/617726533.db2.gz QBWXWCAWTSVSMW-XFXZXTDPSA-N -1 3 277.320 3.105 20 0 CGADHM CC(C)(C)OCc1cccc(CNc2cc(=O)[n-]cn2)c1 ZINC000892265052 618633843 /nfs/dbraw/zinc/63/38/43/618633843.db2.gz OEONCLHYGOCDAA-UHFFFAOYSA-N -1 3 287.363 3.109 20 0 CGADHM O=C(Cc1cccc2ccccc21)[N-]OCc1nccs1 ZINC000161343604 618648922 /nfs/dbraw/zinc/64/89/22/618648922.db2.gz LRYBRBJBGQDQFU-UHFFFAOYSA-N -1 3 298.367 3.087 20 0 CGADHM CCCCCC(C)(C)C(=O)[N-]O[C@H]1CCCCO1 ZINC000177632804 618833521 /nfs/dbraw/zinc/83/35/21/618833521.db2.gz YLKASDXFYBUUJB-LBPRGKRZSA-N -1 3 257.374 3.167 20 0 CGADHM O=C(Nc1n[nH]c2ccccc21)c1cc([O-])ccc1Cl ZINC000236609506 618910262 /nfs/dbraw/zinc/91/02/62/618910262.db2.gz UCDRWENWGMTTRB-UHFFFAOYSA-N -1 3 287.706 3.174 20 0 CGADHM C[C@@H](NCc1ncc(Cl)s1)c1cc([O-])cc(F)c1 ZINC000926830493 618921270 /nfs/dbraw/zinc/92/12/70/618921270.db2.gz VHZNFSGNUYQFAC-SSDOTTSWSA-N -1 3 286.759 3.492 20 0 CGADHM CC(C)(C)CCCCC(=O)N1CCCc2c(=O)[n-]cnc21 ZINC000893205734 619027990 /nfs/dbraw/zinc/02/79/90/619027990.db2.gz WCTNALNBTMFFNL-UHFFFAOYSA-N -1 3 291.395 3.068 20 0 CGADHM C[C@@H](NCc1cscn1)c1cc(Cl)ccc1[O-] ZINC000185246463 625327634 /nfs/dbraw/zinc/32/76/34/625327634.db2.gz RXWRAAUUEWABAQ-MRVPVSSYSA-N -1 3 268.769 3.353 20 0 CGADHM Cc1cccc2oc(C(=O)[N-]c3nc(C4CC4)no3)cc21 ZINC000895036941 619698172 /nfs/dbraw/zinc/69/81/72/619698172.db2.gz QPIGMIDNEIENES-UHFFFAOYSA-N -1 3 283.287 3.254 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)CCCSC(C)(C)C ZINC000794851758 619776759 /nfs/dbraw/zinc/77/67/59/619776759.db2.gz LIGBQIARHRHWBR-NSHDSACASA-N -1 3 261.431 3.392 20 0 CGADHM Cc1ccc(-c2ncc(CN(C)CCC(=O)[O-])s2)cc1 ZINC000263385497 620315079 /nfs/dbraw/zinc/31/50/79/620315079.db2.gz CTIWPVIYYTZJKW-UHFFFAOYSA-N -1 3 290.388 3.025 20 0 CGADHM O=C(C[C@@H]1CCC2(CCC2)CO1)[N-]OC1CCCCC1 ZINC000897455552 620339322 /nfs/dbraw/zinc/33/93/22/620339322.db2.gz PQBBQPNARDWESC-AWEZNQCLSA-N -1 3 281.396 3.106 20 0 CGADHM CC1(C)CO[C@@H](CC(=O)Nc2c([O-])cccc2Cl)C1 ZINC000897847215 620438748 /nfs/dbraw/zinc/43/87/48/620438748.db2.gz UMXKGCRRBOIDGU-VIFPVBQESA-N -1 3 283.755 3.189 20 0 CGADHM CC(C)(C)CC(=O)[N-]OCc1cccc(OC(F)F)c1 ZINC000842063167 620858312 /nfs/dbraw/zinc/85/83/12/620858312.db2.gz JBUCJEZBLXHYDA-UHFFFAOYSA-N -1 3 287.306 3.272 20 0 CGADHM C[C@@H](C[N@H+](Cc1ccccc1)Cc1ccccc1[O-])C(=O)[O-] ZINC000901580850 620945610 /nfs/dbraw/zinc/94/56/10/620945610.db2.gz PWBDWTJYAOUITE-AWEZNQCLSA-N -1 3 299.370 3.115 20 0 CGADHM C[C@@H](C[N@@H+](Cc1ccccc1)Cc1ccccc1[O-])C(=O)[O-] ZINC000901580850 620945614 /nfs/dbraw/zinc/94/56/14/620945614.db2.gz PWBDWTJYAOUITE-AWEZNQCLSA-N -1 3 299.370 3.115 20 0 CGADHM CC(C)(C)c1ncc(CN2CCC[C@](C)(C(=O)[O-])C2)s1 ZINC000901696884 620992760 /nfs/dbraw/zinc/99/27/60/620992760.db2.gz ATBAEYZYBPCBKB-HNNXBMFYSA-N -1 3 296.436 3.127 20 0 CGADHM CC(C)C[C@@H](C)CN[C@H](C)c1ncc(C(=O)[O-])s1 ZINC000901912166 621067833 /nfs/dbraw/zinc/06/78/33/621067833.db2.gz PULUQSKHGDWMSC-NXEZZACHSA-N -1 3 270.398 3.174 20 0 CGADHM CSCCNCc1ccc(-c2ccccc2C(=O)[O-])o1 ZINC000902073417 621126125 /nfs/dbraw/zinc/12/61/25/621126125.db2.gz BHXJHQLEKRTGSE-UHFFFAOYSA-N -1 3 291.372 3.097 20 0 CGADHM C[C@@H]1C[C@@H](NCc2c(F)cccc2Cl)CC[C@H]1C(=O)[O-] ZINC000902096251 621147087 /nfs/dbraw/zinc/14/70/87/621147087.db2.gz DOUMPQHREGPPCB-OUAUKWLOSA-N -1 3 299.773 3.458 20 0 CGADHM O=C([O-])c1occc1CN[C@@H]1CCc2c1cccc2Cl ZINC000902177580 621175877 /nfs/dbraw/zinc/17/58/77/621175877.db2.gz ZXXBAGRQCLVKII-CYBMUJFWSA-N -1 3 291.734 3.408 20 0 CGADHM CC(C)COC[C@@H](NCCC(C)(C)C(=O)[O-])c1ccco1 ZINC000902191295 621188958 /nfs/dbraw/zinc/18/89/58/621188958.db2.gz RLPYTUDOECWOFF-CYBMUJFWSA-N -1 3 297.395 3.084 20 0 CGADHM Cc1ccc(CC(=O)[N-]OCCCC(C)(F)F)cc1 ZINC000902230136 621203292 /nfs/dbraw/zinc/20/32/92/621203292.db2.gz DMCWYQSJTZJXJG-UHFFFAOYSA-N -1 3 271.307 3.021 20 0 CGADHM Cc1oc(CNC2(Cc3ccccc3)CC2)cc1C(=O)[O-] ZINC000902269680 621234462 /nfs/dbraw/zinc/23/44/62/621234462.db2.gz GXWBSSXBRXGFFW-UHFFFAOYSA-N -1 3 285.343 3.151 20 0 CGADHM COC[C@@H](N[C@H](C)CC(C)(C)CC(=O)[O-])c1ccc(C)o1 ZINC000902271739 621236546 /nfs/dbraw/zinc/23/65/46/621236546.db2.gz KVUBALVKIYRBAM-DGCLKSJQSA-N -1 3 297.395 3.145 20 0 CGADHM CCc1oc(CN2CC[C@@H](C)C(C)(C)C2)cc1C(=O)[O-] ZINC000902435539 621317762 /nfs/dbraw/zinc/31/77/62/621317762.db2.gz ITMZDOMCBVCPON-LLVKDONJSA-N -1 3 279.380 3.408 20 0 CGADHM C[C@H](N[C@H](c1ncccn1)C1CC1)c1cccc([O-])c1F ZINC000903321837 621676339 /nfs/dbraw/zinc/67/63/39/621676339.db2.gz DVCXCXLDYYYQJD-BONVTDFDSA-N -1 3 287.338 3.123 20 0 CGADHM CCCCCCN1CCOc2cc(C(=O)[O-])ccc2C1 ZINC000903957215 621836355 /nfs/dbraw/zinc/83/63/55/621836355.db2.gz NURYQCSYWNHXQD-UHFFFAOYSA-N -1 3 277.364 3.160 20 0 CGADHM CCCSC[C@@H](NCc1cscc1Cl)C(=O)[O-] ZINC000903998583 621846111 /nfs/dbraw/zinc/84/61/11/621846111.db2.gz UWOZSVKYVRTCSH-SNVBAGLBSA-N -1 3 293.841 3.088 20 0 CGADHM CC(C)(C)C[C@@H](CC(=O)[O-])NCc1nc2ccccc2o1 ZINC000904010079 621854395 /nfs/dbraw/zinc/85/43/95/621854395.db2.gz DHFXRPSMKPVTMA-LLVKDONJSA-N -1 3 290.363 3.197 20 0 CGADHM O=C(NCc1ccc([O-])c(F)c1)[C@H]1CCC=CCCC1 ZINC000907060464 622280055 /nfs/dbraw/zinc/28/00/55/622280055.db2.gz OOZUBDKRTBLLKY-ZDUSSCGKSA-N -1 3 277.339 3.284 20 0 CGADHM CCCCCC[C@H](C)NC(=O)c1c([O-])cccc1O ZINC000228855112 623081635 /nfs/dbraw/zinc/08/16/35/623081635.db2.gz TYWAWVOQUVYNFN-NSHDSACASA-N -1 3 265.353 3.187 20 0 CGADHM O=C(OC/C=C\Cl)c1cccc(Br)c1[O-] ZINC000730366884 623637900 /nfs/dbraw/zinc/63/79/00/623637900.db2.gz XQWNASBHTFMREN-DJWKRKHSSA-N -1 3 291.528 3.064 20 0 CGADHM CC/C=C\CCOC(=O)c1cc(-c2ccc(C)o2)[n-]n1 ZINC000918508865 624356098 /nfs/dbraw/zinc/35/60/98/624356098.db2.gz GYVKBJBKOZUUOX-PLNGDYQASA-N -1 3 274.320 3.491 20 0 CGADHM CC/C=C\CCOC(=O)c1cc(-c2ccc(C)o2)n[n-]1 ZINC000918508865 624356101 /nfs/dbraw/zinc/35/61/01/624356101.db2.gz GYVKBJBKOZUUOX-PLNGDYQASA-N -1 3 274.320 3.491 20 0 CGADHM O=C(CCc1ccc2[nH]ccc2c1)[N-]OCc1ccccc1 ZINC000179594778 624667596 /nfs/dbraw/zinc/66/75/96/624667596.db2.gz VFKVKYATSRFDJR-UHFFFAOYSA-N -1 3 294.354 3.349 20 0 CGADHM O=C(/C=C/c1cccc(F)c1)Nc1cc(F)ccc1[O-] ZINC000179645746 624672643 /nfs/dbraw/zinc/67/26/43/624672643.db2.gz DLYRWOLYBTUPFY-QPJJXVBHSA-N -1 3 275.254 3.322 20 0 CGADHM CCCCC[C@H](CC)C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000179949614 624701266 /nfs/dbraw/zinc/70/12/66/624701266.db2.gz LEWWZSAJECIBAO-QMMMGPOBSA-N -1 3 292.305 3.369 20 0 CGADHM CCCCC[C@H](CC)C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000179949614 624701278 /nfs/dbraw/zinc/70/12/78/624701278.db2.gz LEWWZSAJECIBAO-QMMMGPOBSA-N -1 3 292.305 3.369 20 0 CGADHM CN(Cc1cccnc1)Cc1cccc(Cl)c1[O-] ZINC000182030517 624934561 /nfs/dbraw/zinc/93/45/61/624934561.db2.gz GGHMECRGWVUZSO-UHFFFAOYSA-N -1 3 262.740 3.073 20 0 CGADHM CCc1ccc(CC(=O)[N-]OCc2ccc(F)cc2)cc1 ZINC000184188059 625209345 /nfs/dbraw/zinc/20/93/45/625209345.db2.gz RCKXJBYIIRGJOY-UHFFFAOYSA-N -1 3 287.334 3.179 20 0 CGADHM C[C@@H]1CC[C@H](CC(=O)[N-]OCc2ccc(F)cc2)C1 ZINC000184223409 625212820 /nfs/dbraw/zinc/21/28/20/625212820.db2.gz STFICYLKLHVFSA-YPMHNXCESA-N -1 3 265.328 3.200 20 0 CGADHM O=C(OCc1cncs1)c1cc(Cl)c(Cl)[n-]1 ZINC000184624308 625253519 /nfs/dbraw/zinc/25/35/19/625253519.db2.gz DVVMLOBKYQYVOH-UHFFFAOYSA-N -1 3 277.132 3.135 20 0 CGADHM CCOCCO[N-]C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000184780158 625272030 /nfs/dbraw/zinc/27/20/30/625272030.db2.gz CACPFTNDWYZWSM-UHFFFAOYSA-N -1 3 293.407 3.001 20 0 CGADHM CCSCCOC(=O)c1cc(F)cc(Cl)c1[O-] ZINC000751734079 626402560 /nfs/dbraw/zinc/40/25/60/626402560.db2.gz HELKQGRTRBNJOC-UHFFFAOYSA-N -1 3 278.732 3.095 20 0 CGADHM CC(C)(C)OCCCO[N-]C(=O)CCCc1ccccc1 ZINC000756875879 626739082 /nfs/dbraw/zinc/73/90/82/626739082.db2.gz JZIVXFYQFMAZBR-UHFFFAOYSA-N -1 3 293.407 3.262 20 0 CGADHM [O-]C(=NOCC(F)F)Nc1ncc(-c2ccccc2)s1 ZINC000758827651 626861676 /nfs/dbraw/zinc/86/16/76/626861676.db2.gz YQQPBGUBSJTKTO-UHFFFAOYSA-N -1 3 299.302 3.128 20 0 CGADHM O=C([N-]OCC(F)F)Nc1ncc(-c2ccccc2)s1 ZINC000758827651 626861680 /nfs/dbraw/zinc/86/16/80/626861680.db2.gz YQQPBGUBSJTKTO-UHFFFAOYSA-N -1 3 299.302 3.128 20 0 CGADHM CCC(CC)OC(=O)c1cc(-c2ccc(C)o2)[n-]n1 ZINC000762110543 627090267 /nfs/dbraw/zinc/09/02/67/627090267.db2.gz LMOJVYFOTSIWBV-UHFFFAOYSA-N -1 3 262.309 3.324 20 0 CGADHM CCC(CC)OC(=O)c1cc(-c2ccc(C)o2)n[n-]1 ZINC000762110543 627090269 /nfs/dbraw/zinc/09/02/69/627090269.db2.gz LMOJVYFOTSIWBV-UHFFFAOYSA-N -1 3 262.309 3.324 20 0 CGADHM Cc1cc(=O)[n-]c(CSC/C=C/c2ccccc2)n1 ZINC000763212405 627145620 /nfs/dbraw/zinc/14/56/20/627145620.db2.gz LABRDCGTGINNEK-VMPITWQZSA-N -1 3 272.373 3.437 20 0 CGADHM CC(C)c1nc(C=Cc2nccc(=O)[n-]2)c2ccccn21 ZINC000764440854 627208004 /nfs/dbraw/zinc/20/80/04/627208004.db2.gz BLXZZTVILSMZSK-SREVYHEPSA-N -1 3 280.331 3.124 20 0 CGADHM Cc1ccc2c(c1)OCCN2C(=O)c1ccc(C)c(C)c1[O-] ZINC000769913029 627588724 /nfs/dbraw/zinc/58/87/24/627588724.db2.gz MYQWKTQAHFTORB-UHFFFAOYSA-N -1 3 297.354 3.357 20 0 CGADHM Cc1cc(Br)cc(C=Cc2nccc(=O)[n-]2)c1 ZINC000773140565 627861835 /nfs/dbraw/zinc/86/18/35/627861835.db2.gz TUVMQNPCRDXISV-IHWYPQMZSA-N -1 3 291.148 3.424 20 0 CGADHM CC(C)CO[N-]C(=O)C[C@@H](C)C(=O)c1ccc(Cl)cc1 ZINC000776983769 628242665 /nfs/dbraw/zinc/24/26/65/628242665.db2.gz PDRNPLCZIRIVLY-LLVKDONJSA-N -1 3 297.782 3.253 20 0 CGADHM CC(C)[C@@H]1C[C@H](CC(=O)[N-]Oc2ccccc2F)CCO1 ZINC000874910496 634649988 /nfs/dbraw/zinc/64/99/88/634649988.db2.gz SJBDFPQPWFMHFL-DOMZBBRYSA-N -1 3 295.354 3.077 20 0 CGADHM CC(=O)[C@@H](C)CCCCC(=O)[N-]OC1CCCCC1 ZINC000779318767 628407757 /nfs/dbraw/zinc/40/77/57/628407757.db2.gz YPHAHBMFZNAMPQ-LBPRGKRZSA-N -1 3 269.385 3.152 20 0 CGADHM CCCC(C)(C)CC(=O)[N-]OCCC(F)(F)F ZINC000785291232 628857591 /nfs/dbraw/zinc/85/75/91/628857591.db2.gz ZOCUYPABAKYEJY-UHFFFAOYSA-N -1 3 255.280 3.203 20 0 CGADHM Cc1cnc(COC(=O)c2cc3sccc3c([O-])c2)o1 ZINC000786139133 628915800 /nfs/dbraw/zinc/91/58/00/628915800.db2.gz YNPBEFAKHVWKTD-UHFFFAOYSA-N -1 3 289.312 3.260 20 0 CGADHM C[C@H](OC(=O)c1ccc([O-])cc1)c1nc2ccccc2o1 ZINC000787973542 629036625 /nfs/dbraw/zinc/03/66/25/629036625.db2.gz BJKNQQMFIAQTPX-JTQLQIEISA-N -1 3 283.283 3.451 20 0 CGADHM CCCCCc1ccc(C(=O)CCC(=O)[N-]OCC)cc1 ZINC000790926333 629241474 /nfs/dbraw/zinc/24/14/74/629241474.db2.gz MHMGGTPIHSOWBE-UHFFFAOYSA-N -1 3 291.391 3.450 20 0 CGADHM CSCCO[N-]C(=O)C[C@H]1C[C@@H](C)c2c1cccc2C ZINC000794196471 629521569 /nfs/dbraw/zinc/52/15/69/629521569.db2.gz XWGSVEQZGXYJRR-CHWSQXEVSA-N -1 3 293.432 3.387 20 0 CGADHM CSCCO[N-]C(=O)C[C@H]1C[C@H](C)c2c1cccc2C ZINC000794196473 629521888 /nfs/dbraw/zinc/52/18/88/629521888.db2.gz XWGSVEQZGXYJRR-QWHCGFSZSA-N -1 3 293.432 3.387 20 0 CGADHM O=C1[N-]C(=O)/C(=C\c2ccc3occc3c2)c2ccccc21 ZINC000794698159 629567735 /nfs/dbraw/zinc/56/77/35/629567735.db2.gz NNIJLEDCQHFHKP-GDNBJRDFSA-N -1 3 289.290 3.243 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)Cc1ccc(C)cc1Cl ZINC000794863504 629591062 /nfs/dbraw/zinc/59/10/62/629591062.db2.gz IWNGMOWWFRFNPM-JTQLQIEISA-N -1 3 269.772 3.285 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)CCCOc1ccccc1C ZINC000794866706 629591323 /nfs/dbraw/zinc/59/13/23/629591323.db2.gz VCNUJAJKPDFNCG-ZDUSSCGKSA-N -1 3 279.380 3.248 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)CCCC(=O)c1ccc(C)cc1 ZINC000794870586 629592451 /nfs/dbraw/zinc/59/24/51/629592451.db2.gz OMYCHATXVUDTJP-CYBMUJFWSA-N -1 3 291.391 3.442 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)C[C@@H](C)c1ccc(F)cc1 ZINC000794875091 629592848 /nfs/dbraw/zinc/59/28/48/629592848.db2.gz LSAVWMWMBSVGNM-NWDGAFQWSA-N -1 3 267.344 3.413 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000794876194 629593363 /nfs/dbraw/zinc/59/33/63/629593363.db2.gz TVDWSNWXJVZXEH-JTQLQIEISA-N -1 3 289.297 3.342 20 0 CGADHM CCO[N-]C(=O)Cc1coc2c1ccc(Cl)c2Cl ZINC000864690673 629891909 /nfs/dbraw/zinc/89/19/09/629891909.db2.gz UUUZEXUHUVVFRQ-UHFFFAOYSA-N -1 3 288.130 3.350 20 0 CGADHM O=C(OC[C@@H]1CCC(F)(F)C1)c1cc(-c2ccco2)[n-]n1 ZINC000798919487 630123144 /nfs/dbraw/zinc/12/31/44/630123144.db2.gz DZBKOZSPEHSQEU-SECBINFHSA-N -1 3 296.273 3.262 20 0 CGADHM O=C(OC[C@@H]1CCC(F)(F)C1)c1cc(-c2ccco2)n[n-]1 ZINC000798919487 630123147 /nfs/dbraw/zinc/12/31/47/630123147.db2.gz DZBKOZSPEHSQEU-SECBINFHSA-N -1 3 296.273 3.262 20 0 CGADHM CCC(C)(C)CC(=O)[N-]OCc1ccccc1OC ZINC000799096445 630141947 /nfs/dbraw/zinc/14/19/47/630141947.db2.gz MLKDNKYXFCVUIE-UHFFFAOYSA-N -1 3 265.353 3.069 20 0 CGADHM CC(=O)c1cccc(NC(=O)C(C)=C2CCCC2)c1[O-] ZINC000808187299 630629932 /nfs/dbraw/zinc/62/99/32/630629932.db2.gz BYORVNMSKRVMJR-UHFFFAOYSA-N -1 3 273.332 3.424 20 0 CGADHM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1cccnc1F ZINC000808732278 630672982 /nfs/dbraw/zinc/67/29/82/630672982.db2.gz HXLALBQQQMCHRJ-UHFFFAOYSA-N -1 3 297.289 3.436 20 0 CGADHM CC(C)C(=O)COC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000810811906 630951522 /nfs/dbraw/zinc/95/15/22/630951522.db2.gz WVUKRTDVIYMNCB-UHFFFAOYSA-N -1 3 285.752 3.265 20 0 CGADHM Cc1ncccc1COC(=O)c1cc(F)cc(Cl)c1[O-] ZINC000811138741 631032310 /nfs/dbraw/zinc/03/23/10/631032310.db2.gz WOALZOYKXFFAJK-UHFFFAOYSA-N -1 3 295.697 3.245 20 0 CGADHM O=C(C[C@H]1CCCc2ccccc21)[N-]OC/C=C\Cl ZINC000812407244 631247977 /nfs/dbraw/zinc/24/79/77/631247977.db2.gz IEFRFSDAUGQUNG-VVOKDJNJSA-N -1 3 279.767 3.297 20 0 CGADHM O=C(c1cc([O-])c2ccccc2c1)N1CC(C2CC2)C1 ZINC000812648555 631288595 /nfs/dbraw/zinc/28/85/95/631288595.db2.gz CVBQQSKCQRCZPB-UHFFFAOYSA-N -1 3 267.328 3.027 20 0 CGADHM O=C(CCCOc1ccc(Cl)cc1)[N-]OC1CCC1 ZINC000812788349 631307957 /nfs/dbraw/zinc/30/79/57/631307957.db2.gz UOMWVDPJECLCPN-UHFFFAOYSA-N -1 3 283.755 3.099 20 0 CGADHM O=C(CCc1cccc(C(F)(F)F)c1)[N-]OC1CCC1 ZINC000812789424 631309538 /nfs/dbraw/zinc/30/95/38/631309538.db2.gz YTGBMUNIJSKRTD-UHFFFAOYSA-N -1 3 287.281 3.238 20 0 CGADHM O=C([N-]OC1CCC1)C1(Cc2cccc(F)c2)CCC1 ZINC000812794166 631311676 /nfs/dbraw/zinc/31/16/76/631311676.db2.gz SZKYRFOESRAYMS-UHFFFAOYSA-N -1 3 277.339 3.139 20 0 CGADHM CC(C)OCCO[N-]C(=O)CC[C@H](C)c1ccccc1 ZINC000812808058 631316463 /nfs/dbraw/zinc/31/64/63/631316463.db2.gz QFPAQOHMFXOAHY-AWEZNQCLSA-N -1 3 279.380 3.043 20 0 CGADHM O=C(Nc1cccc([O-])c1F)C1(F)CCCCC1 ZINC000813502279 631430627 /nfs/dbraw/zinc/43/06/27/631430627.db2.gz JOODXBPRCZIXSJ-UHFFFAOYSA-N -1 3 255.264 3.142 20 0 CGADHM C[C@@H](NCc1cccc([O-])c1Cl)c1ccc[nH]1 ZINC000815132619 631726052 /nfs/dbraw/zinc/72/60/52/631726052.db2.gz GEDMQRHPJGJFOX-SECBINFHSA-N -1 3 250.729 3.225 20 0 CGADHM COc1ccc(NCc2c(F)ccc([O-])c2F)cc1OC ZINC000816522485 632004202 /nfs/dbraw/zinc/00/42/02/632004202.db2.gz BILSHOMENHFBHH-UHFFFAOYSA-N -1 3 295.285 3.300 20 0 CGADHM O=C(c1cc([O-])c2ccccc2c1)N1CC[C@@H]1C(F)(F)F ZINC000816662033 632040088 /nfs/dbraw/zinc/04/00/88/632040088.db2.gz GCVRZJKOUCUMDJ-CYBMUJFWSA-N -1 3 295.260 3.322 20 0 CGADHM O=C(CCSc1ccc(Cl)cc1)[N-]OCC1CC1 ZINC000817339843 632127638 /nfs/dbraw/zinc/12/76/38/632127638.db2.gz ZRCSTUKWDSLBSR-UHFFFAOYSA-N -1 3 285.796 3.280 20 0 CGADHM O=C([N-]OCCC1CC1)C12CC3CC(CC(C3)C1)C2 ZINC000817408122 632140076 /nfs/dbraw/zinc/14/00/76/632140076.db2.gz MKLQMYPAZVXZRU-UHFFFAOYSA-N -1 3 263.381 3.051 20 0 CGADHM C[C@H](CCCc1ccccc1)C(=O)[N-]OCCC1CC1 ZINC000817420936 632147722 /nfs/dbraw/zinc/14/77/22/632147722.db2.gz GTRCTIJHWFIFET-CQSZACIVSA-N -1 3 275.392 3.493 20 0 CGADHM Cc1cccc(OCCCCC(=O)[N-]OCCC2CC2)c1 ZINC000817425558 632150565 /nfs/dbraw/zinc/15/05/65/632150565.db2.gz HQFKZBZQVUESEQ-UHFFFAOYSA-N -1 3 291.391 3.392 20 0 CGADHM Cc1ccc(CCCC(=O)[N-]OCCC2CC2)cc1 ZINC000817437709 632157222 /nfs/dbraw/zinc/15/72/22/632157222.db2.gz RGDZGQJCZAOCCZ-UHFFFAOYSA-N -1 3 261.365 3.166 20 0 CGADHM CCCO[N-]C(=O)C[C@H](C)C(=O)c1ccc(Cl)cc1 ZINC000844084884 635817635 /nfs/dbraw/zinc/81/76/35/635817635.db2.gz DEIMEYGFWDHJDS-JTQLQIEISA-N -1 3 283.755 3.007 20 0 CGADHM CC(C)(C)CC(=O)[N-]OCC[C@H]1CC1(Cl)Cl ZINC000818086765 632287340 /nfs/dbraw/zinc/28/73/40/632287340.db2.gz HQTVJKSFYBSBBY-QMMMGPOBSA-N -1 3 268.184 3.054 20 0 CGADHM CCCO[N-]C(=O)C[C@H]1C[C@@H](C)c2c1cccc2C ZINC000844087097 635818601 /nfs/dbraw/zinc/81/86/01/635818601.db2.gz HWYQLTKWTVBNNS-CHWSQXEVSA-N -1 3 261.365 3.434 20 0 CGADHM O=C(C=C1CCCCC1)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000820213958 632590512 /nfs/dbraw/zinc/59/05/12/632590512.db2.gz TVLJBDORLJKRQI-UHFFFAOYSA-N -1 3 271.320 3.098 20 0 CGADHM C[C@H](Sc1ccncc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820555610 632646453 /nfs/dbraw/zinc/64/64/53/632646453.db2.gz NWBSQPSGZBNMRR-JTQLQIEISA-N -1 3 283.360 3.115 20 0 CGADHM C[C@H](Sc1ccncc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820555610 632646457 /nfs/dbraw/zinc/64/64/57/632646457.db2.gz NWBSQPSGZBNMRR-JTQLQIEISA-N -1 3 283.360 3.115 20 0 CGADHM O=C([N-]c1nc(C2CCC2)cs1)c1cc(Cl)no1 ZINC000822467638 632934871 /nfs/dbraw/zinc/93/48/71/632934871.db2.gz QDSPOZQWRLTZPR-UHFFFAOYSA-N -1 3 283.740 3.304 20 0 CGADHM CCC[C@H](CC)C(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000823082031 633056841 /nfs/dbraw/zinc/05/68/41/633056841.db2.gz ZHQJDOQWOZAMBM-VIFPVBQESA-N -1 3 261.325 3.033 20 0 CGADHM CCCC[C@@H](C)C(=O)[N-]OCCCC(F)(F)F ZINC000871216499 633730850 /nfs/dbraw/zinc/73/08/50/633730850.db2.gz ZTGXIRCAAVPHGK-SECBINFHSA-N -1 3 255.280 3.203 20 0 CGADHM Cc1noc(C(C)C)c1[N-]C(=O)c1cc2ncccc2o1 ZINC000830200129 633838587 /nfs/dbraw/zinc/83/85/87/633838587.db2.gz WXPJYNVUUMFAJL-UHFFFAOYSA-N -1 3 285.303 3.500 20 0 CGADHM CCc1[n-]n([C@H]2CCOC3(CCCC3)C2)c(=O)c1C(C)C ZINC000871964558 633932106 /nfs/dbraw/zinc/93/21/06/633932106.db2.gz SWFHREIVFKMGER-DZGCQCFKSA-N -1 3 292.423 3.359 20 0 CGADHM CC[C@H]1CN(Cc2ccc(C)c(C(=O)[O-])c2)CCS1 ZINC000872158517 634068779 /nfs/dbraw/zinc/06/87/79/634068779.db2.gz DRNVVDJYHQUJCE-ZDUSSCGKSA-N -1 3 279.405 3.021 20 0 CGADHM Cc1ccc(CN2CC[C@@]3(C)[C@@H](C2)C3(F)F)cc1C(=O)[O-] ZINC000872162565 634072420 /nfs/dbraw/zinc/07/24/20/634072420.db2.gz RPEHEVBCFYQCQL-HIFRSBDPSA-N -1 3 295.329 3.170 20 0 CGADHM C/C(=C/CN1CC=C(c2cc(C)cc(C)c2)CC1)C(=O)[O-] ZINC000846257578 636167584 /nfs/dbraw/zinc/16/75/84/636167584.db2.gz SBOHILMZPGQULA-TVPGTPATSA-N -1 3 285.387 3.423 20 0 CGADHM [O-]c1ccc(F)c(CN2CCC[C@@H](OC3CCC3)C2)c1F ZINC000848925223 636697169 /nfs/dbraw/zinc/69/71/69/636697169.db2.gz QPSPSSPHINCPEW-GFCCVEGCSA-N -1 3 297.345 3.204 20 0 CGADHM CC(C)(C)O[C@H]1C[C@H](NCc2c(F)ccc([O-])c2F)C1 ZINC000848926583 636699118 /nfs/dbraw/zinc/69/91/18/636699118.db2.gz SWUASDQSNLVGAF-MGCOHNPYSA-N -1 3 285.334 3.106 20 0 CGADHM O=c1ccnc(C=Cc2cnc(-c3cccs3)s2)[n-]1 ZINC000131772994 636748667 /nfs/dbraw/zinc/74/86/67/636748667.db2.gz QCIGWHXUHLFKOH-ONEGZZNKSA-N -1 3 287.369 3.125 20 0 CGADHM CC(=O)[C@H](C)CCOC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000849672722 636843382 /nfs/dbraw/zinc/84/33/82/636843382.db2.gz JEIWGRMWEPEXGG-ZCFIWIBFSA-N -1 3 278.135 3.094 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-][C@H](c2cccs2)C2CC2)o1 ZINC000884904581 637150079 /nfs/dbraw/zinc/15/00/79/637150079.db2.gz OOYJRXBQHUHNOQ-ZDUSSCGKSA-N -1 3 297.401 3.079 20 0 CGADHM Cc1ccc(C(=O)Nc2cccnc2C2CC2)c([O-])c1 ZINC000889882160 638126250 /nfs/dbraw/zinc/12/62/50/638126250.db2.gz DBCFOQYNUCAFNH-UHFFFAOYSA-N -1 3 268.316 3.225 20 0 CGADHM Cc1cc(C(=O)CCC(=O)[N-]OCC2CCC2)c(C)s1 ZINC000856343496 638345743 /nfs/dbraw/zinc/34/57/43/638345743.db2.gz MMELQRWZJOTXMV-UHFFFAOYSA-N -1 3 295.404 3.176 20 0 CGADHM O=C(CCc1ccc(OC(F)F)cc1)[N-]OCC1CCC1 ZINC000856346261 638347304 /nfs/dbraw/zinc/34/73/04/638347304.db2.gz SAZHJLSSUAHYLX-UHFFFAOYSA-N -1 3 299.317 3.069 20 0 CGADHM O=C(CCc1cncc2ccccc21)[N-]OCC1CCC1 ZINC000856350493 638350021 /nfs/dbraw/zinc/35/00/21/638350021.db2.gz WYNLXXULOMWNJX-UHFFFAOYSA-N -1 3 284.359 3.015 20 0 CGADHM Cc1ccc(C(=O)CCCC(=O)[N-]OCC2CCC2)cc1 ZINC000856350312 638350040 /nfs/dbraw/zinc/35/00/40/638350040.db2.gz UAONUMJRRWDLDL-UHFFFAOYSA-N -1 3 289.375 3.196 20 0 CGADHM C[C@@H](NC1(c2ncccn2)CCC1)c1cc([O-])cc(F)c1 ZINC000926850547 638817248 /nfs/dbraw/zinc/81/72/48/638817248.db2.gz GBJHMCCEIFQZLB-LLVKDONJSA-N -1 3 287.338 3.051 20 0 CGADHM C[C@H](NCc1nc2c(s1)CCC2)c1cc([O-])cc(F)c1 ZINC000926881670 638821138 /nfs/dbraw/zinc/82/11/38/638821138.db2.gz BYTVCZGQOQSAQH-VIFPVBQESA-N -1 3 292.379 3.327 20 0 CGADHM Cc1noc(C(C)C)c1[N-]C(=O)c1nc(C)ncc1Cl ZINC000928789320 638892402 /nfs/dbraw/zinc/89/24/02/638892402.db2.gz ZUCYRXMPEGJZMS-UHFFFAOYSA-N -1 3 294.742 3.111 20 0 CGADHM Cc1cc(CN2CCC3(C[C@H]3C(=O)[O-])CC2)ccc1Cl ZINC000859806778 639219964 /nfs/dbraw/zinc/21/99/64/639219964.db2.gz MVPBZQYRQVIDHK-ZDUSSCGKSA-N -1 3 293.794 3.335 20 0 CGADHM O=C([O-])[C@H](NCc1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000074403449 639256606 /nfs/dbraw/zinc/25/66/06/639256606.db2.gz LRNHRKGGBZWPSM-CQSZACIVSA-N -1 3 293.725 3.395 20 0 CGADHM O=C(C[C@H]1CCOc2ccccc21)[N-]OCc1ccccc1 ZINC000117745822 639431049 /nfs/dbraw/zinc/43/10/49/639431049.db2.gz FMUZENICRINPRO-OAHLLOKOSA-N -1 3 297.354 3.191 20 0 CGADHM COc1cnc([C@H]2CCCN2CCCC(C)(C)C)[n-]c1=O ZINC000934275087 639570114 /nfs/dbraw/zinc/57/01/14/639570114.db2.gz ZEWOJLYQVQTJOJ-GFCCVEGCSA-N -1 3 293.411 3.154 20 0 CGADHM O=C(Cc1ccc(SC2CC2)cc1)[N-]OC/C=C/Cl ZINC000936057468 639890371 /nfs/dbraw/zinc/89/03/71/639890371.db2.gz AQYSLQIYIBJBQU-UNXLUWIOSA-N -1 3 297.807 3.284 20 0 CGADHM [O-]c1ccc(CNCc2cccc3c2OCO3)cc1Cl ZINC000043488415 639929175 /nfs/dbraw/zinc/92/91/75/639929175.db2.gz CVZPEJATVVOGQD-UHFFFAOYSA-N -1 3 291.734 3.064 20 0 CGADHM CCOc1cc(O)ccc1NC(=O)c1ccc(C)cc1[O-] ZINC000190959249 640280492 /nfs/dbraw/zinc/28/04/92/640280492.db2.gz NNDBMSVVWIQDEH-UHFFFAOYSA-N -1 3 287.315 3.057 20 0 CGADHM O=C([O-])CC[C@@H]1CCCN(Cc2cc(Cl)cs2)C1 ZINC000093097130 640754945 /nfs/dbraw/zinc/75/49/45/640754945.db2.gz FWSFQLVMAHEQHO-JTQLQIEISA-N -1 3 287.812 3.478 20 0 CGADHM CC(C)c1ccccc1NC(=O)c1cc2c(cc1[O-])OCO2 ZINC000093918108 640785685 /nfs/dbraw/zinc/78/56/85/640785685.db2.gz NZRLXARNZCBORJ-UHFFFAOYSA-N -1 3 299.326 3.497 20 0 CGADHM CNc1ccc(C(=O)Nc2nc(C)ccc2[O-])c(Cl)c1 ZINC001156123520 805655376 /nfs/dbraw/zinc/65/53/76/805655376.db2.gz QHYZAXLRWLYQGE-UHFFFAOYSA-N -1 3 291.738 3.043 20 0 CGADHM [O-]c1cnccc1-c1nc2c(ccc(F)c2Cl)[nH]1 ZINC001250859352 805790301 /nfs/dbraw/zinc/79/03/01/805790301.db2.gz HBBHTVWLJGTJHV-UHFFFAOYSA-N -1 3 263.659 3.123 20 0 CGADHM [O-]c1cccc(-c2nc3cc4c(cc3[nH]2)CCO4)c1F ZINC001251255599 805871782 /nfs/dbraw/zinc/87/17/82/805871782.db2.gz RSDATQVPBFPGGD-UHFFFAOYSA-N -1 3 270.263 3.010 20 0 CGADHM [O-]c1cccnc1CNc1nccc2ccsc21 ZINC001158771124 806001971 /nfs/dbraw/zinc/00/19/71/806001971.db2.gz UGEHEBRLZMWRNJ-UHFFFAOYSA-N -1 3 257.318 3.009 20 0 CGADHM CCc1ccc(-c2nnc(-c3nc(C)ccc3[O-])o2)cc1 ZINC001253008511 806153909 /nfs/dbraw/zinc/15/39/09/806153909.db2.gz SKFODEPDLVPKEO-UHFFFAOYSA-N -1 3 281.315 3.375 20 0 CGADHM CCCCC[C@H](O)CNc1cc(F)c([O-])cc1F ZINC001253543680 806244347 /nfs/dbraw/zinc/24/43/47/806244347.db2.gz DXRNQFIJCUITSE-VIFPVBQESA-N -1 3 259.296 3.024 20 0 CGADHM CC(C)c1ccc([C@H](C)CC(=O)Nc2ccncc2[O-])cc1 ZINC001160739573 806299487 /nfs/dbraw/zinc/29/94/87/806299487.db2.gz OVILZUWDUIJOBJ-CYBMUJFWSA-N -1 3 298.386 3.465 20 0 CGADHM [O-]c1ccc(O)cc1-c1nnc(-c2cccc(Cl)c2)o1 ZINC001253806646 806312798 /nfs/dbraw/zinc/31/27/98/806312798.db2.gz IIAMZVWALLMBGV-UHFFFAOYSA-N -1 3 288.690 3.468 20 0 CGADHM [O-]c1cc2ccccc2cc1-c1nnc(C2CC2)o1 ZINC001254054752 806334444 /nfs/dbraw/zinc/33/44/44/806334444.db2.gz UOGUYSFCKFMNNC-UHFFFAOYSA-N -1 3 252.273 3.473 20 0 CGADHM [O-]c1cccc(O)c1-c1nnc([C@H]2C[C@@H]2c2ccccc2)o1 ZINC001254515147 806434009 /nfs/dbraw/zinc/43/40/09/806434009.db2.gz XUSBQOYRYCTWJD-NEPJUHHUSA-N -1 3 294.310 3.419 20 0 CGADHM COc1ccc(C)cc1CSc1cc(Cl)nc(=O)[n-]1 ZINC001162799550 806666570 /nfs/dbraw/zinc/66/65/70/806666570.db2.gz CGNHMGFHXMMVQO-UHFFFAOYSA-N -1 3 296.779 3.445 20 0 CGADHM O=C(NCCSCc1ccccc1)c1ccccc1[O-] ZINC000023743412 798838329 /nfs/dbraw/zinc/83/83/29/798838329.db2.gz BMIBGZWCUPTYQW-UHFFFAOYSA-N -1 3 287.384 3.055 20 0 CGADHM CN(Cc1ccc(F)cc1)Cc1ccccc1C(=O)[O-] ZINC000048875697 798893250 /nfs/dbraw/zinc/89/32/50/798893250.db2.gz YSNHTCCBPHHKQC-UHFFFAOYSA-N -1 3 273.307 3.156 20 0 CGADHM O=C([N-]Cc1ccc(F)cc1)C(F)(F)c1ccc(F)cc1 ZINC000147114384 799049245 /nfs/dbraw/zinc/04/92/45/799049245.db2.gz IEWAHTKQQCZWMU-UHFFFAOYSA-N -1 3 297.251 3.373 20 0 CGADHM Cc1ccc(C(=O)NC[C@@H]2CCC[C@H](C)C2)c([O-])c1 ZINC000235599826 799144121 /nfs/dbraw/zinc/14/41/21/799144121.db2.gz GVXWGMWQYCRTDW-WCQYABFASA-N -1 3 261.365 3.257 20 0 CGADHM CCC1CCC(N[C@@H](C)c2ncc(C(=O)[O-])s2)CC1 ZINC000315322299 799235488 /nfs/dbraw/zinc/23/54/88/799235488.db2.gz LPVATZXCMULEOT-WHXUTIOJSA-N -1 3 282.409 3.461 20 0 CGADHM COc1ccc([O-])c(-c2nc(-c3cc(C)nc(C)c3)no2)c1 ZINC000318362883 799245404 /nfs/dbraw/zinc/24/54/04/799245404.db2.gz WWSPWOARLATQGY-UHFFFAOYSA-N -1 3 297.314 3.130 20 0 CGADHM O=C([O-])CC[C@H]1CCCCN1CC=C(Cl)Cl ZINC000403509645 799567225 /nfs/dbraw/zinc/56/72/25/799567225.db2.gz BRGRRYZVXZPDAB-SECBINFHSA-N -1 3 266.168 3.025 20 0 CGADHM COc1cccc(NC(=O)c2cc(C)ccc2[O-])c1F ZINC000690019585 799771882 /nfs/dbraw/zinc/77/18/82/799771882.db2.gz JEUPXWUMAJJMLN-UHFFFAOYSA-N -1 3 275.279 3.101 20 0 CGADHM C[C@@H]1CC[C@@H](NC(=O)c2cc([O-])cc(Br)c2)C1 ZINC000700839677 799881829 /nfs/dbraw/zinc/88/18/29/799881829.db2.gz RBJNUBDVNZNBRA-LDYMZIIASA-N -1 3 298.180 3.073 20 0 CGADHM Cc1cccc([O-])c1C(=O)NCC(C)(C)C(C)(F)F ZINC000706647786 799963796 /nfs/dbraw/zinc/96/37/96/799963796.db2.gz VYFZKYPPGWCQFC-UHFFFAOYSA-N -1 3 271.307 3.112 20 0 CGADHM O=C([O-])[C@]12CCC[C@H]1N(Cc1cccc(Cl)c1F)CC2 ZINC000711655280 800068308 /nfs/dbraw/zinc/06/83/08/800068308.db2.gz ROEJYYYOJQPZDO-DOMZBBRYSA-N -1 3 297.757 3.308 20 0 CGADHM Cc1cc2ccccc2c(NCC[N-]C(=O)C(F)(F)F)c1 ZINC001164251172 806923426 /nfs/dbraw/zinc/92/34/26/806923426.db2.gz OKRJBXNQUFFJDN-UHFFFAOYSA-N -1 3 296.292 3.239 20 0 CGADHM CC(C)(C)O[N-]C(=O)[C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21 ZINC001118967870 802621800 /nfs/dbraw/zinc/62/18/00/802621800.db2.gz MNSJRTOBEMQGSI-FRRDWIJNSA-N -1 3 279.767 3.072 20 0 CGADHM [O-]c1cccc(Cl)c1-c1cnc2nccnc2c1 ZINC001244033809 803153475 /nfs/dbraw/zinc/15/34/75/803153475.db2.gz RHMKAKSCCGBIOE-UHFFFAOYSA-N -1 3 257.680 3.051 20 0 CGADHM COc1c(C)cc(C)cc1-c1ccccc1-c1nnn[n-]1 ZINC001244105295 803188461 /nfs/dbraw/zinc/18/84/61/803188461.db2.gz AMPWOVOQEGHOKH-UHFFFAOYSA-N -1 3 280.331 3.159 20 0 CGADHM COc1c(C)cc(C)cc1-c1ccccc1-c1nn[n-]n1 ZINC001244105295 803188465 /nfs/dbraw/zinc/18/84/65/803188465.db2.gz AMPWOVOQEGHOKH-UHFFFAOYSA-N -1 3 280.331 3.159 20 0 CGADHM Cc1ncc(C2CC2)cc1-c1cccc(-c2nnn[n-]2)c1 ZINC001244145638 803208212 /nfs/dbraw/zinc/20/82/12/803208212.db2.gz ZUCGEGNVOCNWKS-UHFFFAOYSA-N -1 3 277.331 3.115 20 0 CGADHM Cc1ncc(C2CC2)cc1-c1cccc(-c2nn[n-]n2)c1 ZINC001244145638 803208217 /nfs/dbraw/zinc/20/82/17/803208217.db2.gz ZUCGEGNVOCNWKS-UHFFFAOYSA-N -1 3 277.331 3.115 20 0 CGADHM Cc1cc2cc(-c3cc(F)cc(-c4nnn[n-]4)c3)ccc2[nH]1 ZINC001244245049 803261130 /nfs/dbraw/zinc/26/11/30/803261130.db2.gz YQKUEFXTLFXUAC-UHFFFAOYSA-N -1 3 293.305 3.463 20 0 CGADHM Cc1cc2cc(-c3cc(F)cc(-c4nn[n-]n4)c3)ccc2[nH]1 ZINC001244245049 803261133 /nfs/dbraw/zinc/26/11/33/803261133.db2.gz YQKUEFXTLFXUAC-UHFFFAOYSA-N -1 3 293.305 3.463 20 0 CGADHM Cc1cc(-c2nnn[n-]2)ccc1-c1cnccc1C1CC1 ZINC001244285046 803278482 /nfs/dbraw/zinc/27/84/82/803278482.db2.gz GAUMXJYTZVCEOQ-UHFFFAOYSA-N -1 3 277.331 3.115 20 0 CGADHM Cc1cc(-c2nn[n-]n2)ccc1-c1cnccc1C1CC1 ZINC001244285046 803278487 /nfs/dbraw/zinc/27/84/87/803278487.db2.gz GAUMXJYTZVCEOQ-UHFFFAOYSA-N -1 3 277.331 3.115 20 0 CGADHM Cc1ccc(-c2cc(OC(F)(F)F)ccc2[O-])nc1N ZINC001244456345 803378011 /nfs/dbraw/zinc/37/80/11/803378011.db2.gz DRCAHQCMRSTGJN-UHFFFAOYSA-N -1 3 284.237 3.243 20 0 CGADHM [O-]c1ccc(OC(F)(F)F)cc1-c1ccc2c(n1)COC2 ZINC001244458307 803379889 /nfs/dbraw/zinc/37/98/89/803379889.db2.gz GIWVDPXQPRITAZ-UHFFFAOYSA-N -1 3 297.232 3.383 20 0 CGADHM O=C1COc2ccc(-c3ccc(Cl)cc3[O-])cc2N1 ZINC001244469120 803385694 /nfs/dbraw/zinc/38/56/94/803385694.db2.gz BFZIGEMVWFJBSY-UHFFFAOYSA-N -1 3 275.691 3.044 20 0 CGADHM Cc1cnc2ncc(-c3ccc(Cl)cc3[O-])cc2n1 ZINC001244469958 803386211 /nfs/dbraw/zinc/38/62/11/803386211.db2.gz VPGNCEZBMUJUSC-UHFFFAOYSA-N -1 3 271.707 3.359 20 0 CGADHM CS(=O)(=O)c1cccc(-c2ccc(Cl)cc2[O-])c1 ZINC001244469749 803386492 /nfs/dbraw/zinc/38/64/92/803386492.db2.gz RDGMLDIIGJYWOU-UHFFFAOYSA-N -1 3 282.748 3.116 20 0 CGADHM CC(C)n1ccc(-c2ccc(Cl)cc2[O-])cc1=O ZINC001244472533 803388344 /nfs/dbraw/zinc/38/83/44/803388344.db2.gz PKOLVFAEUPUZEE-UHFFFAOYSA-N -1 3 263.724 3.455 20 0 CGADHM O=c1cc(-c2ccc(Cl)cc2[O-])ccn1-c1ccccn1 ZINC001244473889 803389275 /nfs/dbraw/zinc/38/92/75/803389275.db2.gz ZSQXEUWHNNGCMY-UHFFFAOYSA-N -1 3 298.729 3.259 20 0 CGADHM Cc1cc(-c2cc(N3CCCC3)nc(C)n2)cc([O-])c1F ZINC001244496290 803403640 /nfs/dbraw/zinc/40/36/40/803403640.db2.gz PXZJXVXGXNWKPY-UHFFFAOYSA-N -1 3 287.338 3.205 20 0 CGADHM Cc1cc(-c2ncnc3ccccc32)cc([O-])c1F ZINC001244496839 803404004 /nfs/dbraw/zinc/40/40/04/803404004.db2.gz WHQLUFFKADJPPL-UHFFFAOYSA-N -1 3 254.264 3.450 20 0 CGADHM CN(C)Cc1ccnc(-c2cc(F)c([O-])c(Cl)c2)c1 ZINC001244499111 803405297 /nfs/dbraw/zinc/40/52/97/803405297.db2.gz FXJHPXWRAYUVIF-UHFFFAOYSA-N -1 3 280.730 3.308 20 0 CGADHM Cc1cc(-c2ccnc(-c3cccnc3)n2)cc([O-])c1F ZINC001244507493 803411323 /nfs/dbraw/zinc/41/13/23/803411323.db2.gz NYXLUXXPDNWCIS-UHFFFAOYSA-N -1 3 281.290 3.359 20 0 CGADHM COc1nc(SC)ncc1-c1cc(C)c(F)c([O-])c1 ZINC001244519965 803415369 /nfs/dbraw/zinc/41/53/69/803415369.db2.gz HVESHVHCFQYXOB-UHFFFAOYSA-N -1 3 280.324 3.027 20 0 CGADHM COC(=O)c1cccc(F)c1-c1cc(C)c(F)c([O-])c1 ZINC001244521918 803415559 /nfs/dbraw/zinc/41/55/59/803415559.db2.gz YSXOUNRABNGXIK-UHFFFAOYSA-N -1 3 278.254 3.432 20 0 CGADHM COC(=O)Cc1cccc(-c2cc(C)c(F)c([O-])c2)c1 ZINC001244519249 803415768 /nfs/dbraw/zinc/41/57/68/803415768.db2.gz XVBQYTDCBFPUJQ-UHFFFAOYSA-N -1 3 274.291 3.222 20 0 CGADHM Cc1cc(-c2ccc3c(c2)CNC(=O)N3C)cc([O-])c1F ZINC001244526377 803419754 /nfs/dbraw/zinc/41/97/54/803419754.db2.gz ZXLMRUUKDRFDEG-UHFFFAOYSA-N -1 3 286.306 3.166 20 0 CGADHM Cc1cc(-c2ccc3c(c2)CNC(=O)C3)cc(Cl)c1[O-] ZINC001244537516 803425501 /nfs/dbraw/zinc/42/55/01/803425501.db2.gz MGWMLLGBYFUVPH-UHFFFAOYSA-N -1 3 287.746 3.193 20 0 CGADHM COCOc1cncc(-c2cc(C)c([O-])c(Cl)c2)c1 ZINC001244553090 803435046 /nfs/dbraw/zinc/43/50/46/803435046.db2.gz CGRLWDJEHAGIDR-UHFFFAOYSA-N -1 3 279.723 3.399 20 0 CGADHM Cc1cc(CO)ccc1-c1ccc2c(c1)[N-]C(=S)C2 ZINC001244584508 803454069 /nfs/dbraw/zinc/45/40/69/803454069.db2.gz UCSJHZCSBTYOHJ-UHFFFAOYSA-N -1 3 269.369 3.450 20 0 CGADHM Nc1ccc(F)c(Nc2ccc([O-])c(F)c2F)c1 ZINC001211830644 814946279 /nfs/dbraw/zinc/94/62/79/814946279.db2.gz OYLLFGMHSJXUPV-UHFFFAOYSA-N -1 3 254.211 3.135 20 0 CGADHM Cc1c(F)ccc(F)c1-c1cccc(-c2nnn[n-]2)c1 ZINC001244984917 803604545 /nfs/dbraw/zinc/60/45/45/803604545.db2.gz JLSFJXZEVLVCGO-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM Cc1c(F)ccc(F)c1-c1cccc(-c2nn[n-]n2)c1 ZINC001244984917 803604547 /nfs/dbraw/zinc/60/45/47/803604547.db2.gz JLSFJXZEVLVCGO-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM Cc1c(F)ccc(F)c1-c1ccc(Cc2nnn[n-]2)cc1 ZINC001244985715 803604713 /nfs/dbraw/zinc/60/47/13/803604713.db2.gz QTQICHJXJNVVML-UHFFFAOYSA-N -1 3 286.285 3.044 20 0 CGADHM Cc1c(F)ccc(F)c1-c1ccc(Cc2nn[n-]n2)cc1 ZINC001244985715 803604716 /nfs/dbraw/zinc/60/47/16/803604716.db2.gz QTQICHJXJNVVML-UHFFFAOYSA-N -1 3 286.285 3.044 20 0 CGADHM Fc1cc(Cl)c(-c2ccc(-c3nnn[n-]3)cc2)cc1F ZINC001245018934 803613526 /nfs/dbraw/zinc/61/35/26/803613526.db2.gz NCRJNFFHQPNRIR-UHFFFAOYSA-N -1 3 292.676 3.465 20 0 CGADHM Fc1cc(Cl)c(-c2ccc(-c3nn[n-]n3)cc2)cc1F ZINC001245018934 803613528 /nfs/dbraw/zinc/61/35/28/803613528.db2.gz NCRJNFFHQPNRIR-UHFFFAOYSA-N -1 3 292.676 3.465 20 0 CGADHM COc1cc2nccn2cc1-c1cc(Cl)ccc1[O-] ZINC001245054519 803623975 /nfs/dbraw/zinc/62/39/75/803623975.db2.gz HDYHYICABSVFQW-UHFFFAOYSA-N -1 3 274.707 3.369 20 0 CGADHM Cc1cc(C(=O)N(C)C)ncc1-c1cc(Cl)ccc1[O-] ZINC001245053218 803624228 /nfs/dbraw/zinc/62/42/28/803624228.db2.gz YLCNNROSMSQWCC-UHFFFAOYSA-N -1 3 290.750 3.118 20 0 CGADHM COC(=O)[C@H](C)c1ccc(-c2ccc([O-])cc2Cl)nc1 ZINC001245080778 803635601 /nfs/dbraw/zinc/63/56/01/803635601.db2.gz YCPWZXBMJAJGIJ-SECBINFHSA-N -1 3 291.734 3.384 20 0 CGADHM Oc1ccc(-c2cc(F)cc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC001245082965 803637168 /nfs/dbraw/zinc/63/71/68/803637168.db2.gz GMBFCUVRIPNODF-UHFFFAOYSA-N -1 3 290.685 3.032 20 0 CGADHM Oc1ccc(-c2cc(F)cc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC001245082965 803637170 /nfs/dbraw/zinc/63/71/70/803637170.db2.gz GMBFCUVRIPNODF-UHFFFAOYSA-N -1 3 290.685 3.032 20 0 CGADHM CCN1CCc2ccc(NC(=O)c3c(C)cccc3[O-])cc21 ZINC001136594121 803647547 /nfs/dbraw/zinc/64/75/47/803647547.db2.gz CARBNRUHYZIWOQ-UHFFFAOYSA-N -1 3 296.370 3.335 20 0 CGADHM Fc1ccc(Cl)c(-c2ccc(-c3nnn[n-]3)cc2)c1 ZINC001245132207 803647831 /nfs/dbraw/zinc/64/78/31/803647831.db2.gz OMTVRELGJGIAOW-UHFFFAOYSA-N -1 3 274.686 3.326 20 0 CGADHM Fc1ccc(Cl)c(-c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001245132207 803647834 /nfs/dbraw/zinc/64/78/34/803647834.db2.gz OMTVRELGJGIAOW-UHFFFAOYSA-N -1 3 274.686 3.326 20 0 CGADHM [O-]c1cccc(Nc2cnc(N3CCCC3)nc2)c1Cl ZINC001211934030 814958281 /nfs/dbraw/zinc/95/82/81/814958281.db2.gz QKUNBKIVBFKZTN-UHFFFAOYSA-N -1 3 290.754 3.179 20 0 CGADHM [S-]c1cccc(C2=CC[C@H](N3CCOCC3)CC2)c1 ZINC001245422557 803732265 /nfs/dbraw/zinc/73/22/65/803732265.db2.gz DEIYXJMMCHRPKK-HNNXBMFYSA-N -1 3 275.417 3.243 20 0 CGADHM Nc1ccc2nn(-c3ccc([O-])c(F)c3F)cc2c1Cl ZINC001212010864 814967176 /nfs/dbraw/zinc/96/71/76/814967176.db2.gz DEIOHAULBDJBSA-UHFFFAOYSA-N -1 3 295.676 3.245 20 0 CGADHM NC(=O)c1ccc(Cl)c(Nc2ccc([O-])c(F)c2F)c1 ZINC001212009469 814967183 /nfs/dbraw/zinc/96/71/83/814967183.db2.gz PTLDYXLOOUTRGA-UHFFFAOYSA-N -1 3 298.676 3.166 20 0 CGADHM [O-]c1ccc(Nc2cccc3snnc32)c(F)c1F ZINC001212013747 814967241 /nfs/dbraw/zinc/96/72/41/814967241.db2.gz IATVUVGYJAZFOW-UHFFFAOYSA-N -1 3 279.271 3.419 20 0 CGADHM [O-]c1ccc(Nc2cc(F)cc(F)c2O)c(F)c1F ZINC001212016500 814967730 /nfs/dbraw/zinc/96/77/30/814967730.db2.gz SRDNJCXRMLVATD-UHFFFAOYSA-N -1 3 273.185 3.398 20 0 CGADHM Cc1c(Nc2ccc([O-])c(F)c2F)ccc2c1OCCO2 ZINC001212016409 814968106 /nfs/dbraw/zinc/96/81/06/814968106.db2.gz OPTKZGUZIRQXRQ-UHFFFAOYSA-N -1 3 293.269 3.494 20 0 CGADHM c1cc2cccc(-c3ccccc3-c3nnn[n-]3)c2o1 ZINC001245614844 803856801 /nfs/dbraw/zinc/85/68/01/803856801.db2.gz CNUFQUYDCBFRIK-UHFFFAOYSA-N -1 3 262.272 3.280 20 0 CGADHM c1cc2cccc(-c3ccccc3-c3nn[n-]n3)c2o1 ZINC001245614844 803856810 /nfs/dbraw/zinc/85/68/10/803856810.db2.gz CNUFQUYDCBFRIK-UHFFFAOYSA-N -1 3 262.272 3.280 20 0 CGADHM CC(C)(C)c1ccc(-c2noc(-c3cc(=O)[n-]cn3)n2)cc1 ZINC001212361157 815010868 /nfs/dbraw/zinc/01/08/68/815010868.db2.gz ZQGNBKDTTUXXEN-UHFFFAOYSA-N -1 3 296.330 3.197 20 0 CGADHM C[C@]1(F)CCCCN(Cc2ccccc2C(=O)[O-])C1 ZINC001140498952 804448310 /nfs/dbraw/zinc/44/83/10/804448310.db2.gz FGLPIBRZVRBFML-HNNXBMFYSA-N -1 3 265.328 3.099 20 0 CGADHM Cc1[nH]c(CN2CC[C@H]3CCCC[C@@H]3C2)c(C)c1C(=O)[O-] ZINC001140499495 804448561 /nfs/dbraw/zinc/44/85/61/804448561.db2.gz RGCMFSLDDCJLDQ-ZIAGYGMSSA-N -1 3 290.407 3.342 20 0 CGADHM [O-]c1ccc(CN2CC[C@H]3CCC[C@@H]3C2)c(F)c1F ZINC001140887572 804541146 /nfs/dbraw/zinc/54/11/46/804541146.db2.gz BKKVEZLVPHLITB-GHMZBOCLSA-N -1 3 267.319 3.292 20 0 CGADHM CN(Cc1cccc(O)c1)Cc1cc(F)c([O-])c(F)c1 ZINC001140987748 804561581 /nfs/dbraw/zinc/56/15/81/804561581.db2.gz BWZJFFSFUUTRBA-UHFFFAOYSA-N -1 3 279.286 3.008 20 0 CGADHM CC[C@H]1CCC[C@H]1CNC(=O)c1c(C)cccc1[O-] ZINC001140981186 804561829 /nfs/dbraw/zinc/56/18/29/804561829.db2.gz GOIPENMZQZCWDN-STQMWFEESA-N -1 3 261.365 3.257 20 0 CGADHM CN(CCOc1ccccc1)Cc1cc(F)c([O-])c(F)c1 ZINC001140990249 804563974 /nfs/dbraw/zinc/56/39/74/804563974.db2.gz RTKCFGXDCFDECS-UHFFFAOYSA-N -1 3 293.313 3.181 20 0 CGADHM O=C([N-]OCC1CC1)C1=C(c2ccccc2)CCCC1 ZINC001141399393 804638105 /nfs/dbraw/zinc/63/81/05/804638105.db2.gz OUDXXSHUVVVLMM-UHFFFAOYSA-N -1 3 271.360 3.472 20 0 CGADHM Cc1ccc2[nH]c(NC(=O)c3c(C)cccc3[O-])nc2c1 ZINC001141481750 804645159 /nfs/dbraw/zinc/64/51/59/804645159.db2.gz BFIUIAGKFJFOPK-UHFFFAOYSA-N -1 3 281.315 3.138 20 0 CGADHM Cc1ccc2nc(NC(=O)c3c(C)cccc3[O-])[nH]c2c1 ZINC001141481750 804645161 /nfs/dbraw/zinc/64/51/61/804645161.db2.gz BFIUIAGKFJFOPK-UHFFFAOYSA-N -1 3 281.315 3.138 20 0 CGADHM CCc1ccc(NC(=S)Nc2cncc([O-])c2)cc1 ZINC001247292346 804693197 /nfs/dbraw/zinc/69/31/97/804693197.db2.gz FPUBOMUETDBUBD-UHFFFAOYSA-N -1 3 273.361 3.159 20 0 CGADHM Cc1cnc(Nc2cc(F)cc(F)c2[O-])c(C)c1 ZINC001212479888 815035086 /nfs/dbraw/zinc/03/50/86/815035086.db2.gz XJHSPGGMNXLHSO-UHFFFAOYSA-N -1 3 250.248 3.426 20 0 CGADHM Cc1cc(C)n2nc(Nc3cc(F)cc(F)c3[O-])cc2n1 ZINC001212479805 815035094 /nfs/dbraw/zinc/03/50/94/815035094.db2.gz SOQNPWRAJGDPNM-UHFFFAOYSA-N -1 3 290.273 3.074 20 0 CGADHM CC(=O)c1cccc([O-])c1NC(=O)C1(C(C)C)CCC1 ZINC001142652647 804749179 /nfs/dbraw/zinc/74/91/79/804749179.db2.gz TXYCNHQMBMFJHQ-UHFFFAOYSA-N -1 3 275.348 3.360 20 0 CGADHM CCC[C@@H](CC)C(=O)Nc1cc(C(=O)OC(C)(C)C)n[n-]1 ZINC001142905317 804782042 /nfs/dbraw/zinc/78/20/42/804782042.db2.gz BFUQDFOSTVPXAI-SNVBAGLBSA-N -1 3 295.383 3.130 20 0 CGADHM CCC[C@@H](CC)C(=O)Nc1cc(C(=O)OC(C)(C)C)[n-]n1 ZINC001142905317 804782045 /nfs/dbraw/zinc/78/20/45/804782045.db2.gz BFUQDFOSTVPXAI-SNVBAGLBSA-N -1 3 295.383 3.130 20 0 CGADHM C[C@H]1CCC[C@H](C)N1Cc1cc(F)c([O-])cc1F ZINC001144647039 805022801 /nfs/dbraw/zinc/02/28/01/805022801.db2.gz WGXZWLUQDMSWFJ-UWVGGRQHSA-N -1 3 255.308 3.433 20 0 CGADHM CC[C@H]1CCCCN1Cc1cc(F)c([O-])cc1F ZINC001144658412 805025330 /nfs/dbraw/zinc/02/53/30/805025330.db2.gz VJZOTMYICWYASI-NSHDSACASA-N -1 3 255.308 3.435 20 0 CGADHM C[C@H]1CCN(Cc2cc(F)c([O-])cc2F)[C@@H](C)C1 ZINC001144658254 805026108 /nfs/dbraw/zinc/02/61/08/805026108.db2.gz UQBKSRYIIXJEQK-UWVGGRQHSA-N -1 3 255.308 3.291 20 0 CGADHM [O-]c1cc(F)c(CN2CC[C@H](c3cccnc3)C2)cc1F ZINC001144665667 805026841 /nfs/dbraw/zinc/02/68/41/805026841.db2.gz CMUTWZWTQZJNKO-LBPRGKRZSA-N -1 3 290.313 3.055 20 0 CGADHM Cc1nc(NC(=O)CCCCCC(C)(C)C)cc(=O)[n-]1 ZINC001144676620 805031892 /nfs/dbraw/zinc/03/18/92/805031892.db2.gz GLBKNRLORVOPNW-UHFFFAOYSA-N -1 3 279.384 3.426 20 0 CGADHM O=C([O-])c1ccsc1CN1CCC[C@@H]1c1ccccn1 ZINC001144678338 805032544 /nfs/dbraw/zinc/03/25/44/805032544.db2.gz WLYFYQHBECBFSH-CYBMUJFWSA-N -1 3 288.372 3.178 20 0 CGADHM CC(C)CC[C@@H](CO)NC(=O)c1ccc(C(C)C)cc1[O-] ZINC001147384766 805124707 /nfs/dbraw/zinc/12/47/07/805124707.db2.gz MLQZGUZVUPCPDD-AWEZNQCLSA-N -1 3 293.407 3.043 20 0 CGADHM Cc1cncc(C(=O)Nc2cc([O-])cc(Cl)c2)c1 ZINC001147402674 805127323 /nfs/dbraw/zinc/12/73/23/805127323.db2.gz TXIRWSNEIXCWSK-UHFFFAOYSA-N -1 3 262.696 3.001 20 0 CGADHM Cc1ccc(C(=O)N2C[C@@H]3C[C@H](C2)c2ccccc23)c([O-])c1 ZINC001148504435 805191637 /nfs/dbraw/zinc/19/16/37/805191637.db2.gz QKBJUFHUBGDTQY-OKILXGFUSA-N -1 3 293.366 3.428 20 0 CGADHM CC(=O)c1cc(C(=O)NC[C@@H]2CCCC[C@H]2C)ccc1[O-] ZINC001148664646 805203351 /nfs/dbraw/zinc/20/33/51/805203351.db2.gz QZEYSLDHCWIHSC-RISCZKNCSA-N -1 3 289.375 3.151 20 0 CGADHM Cc1ccc(Nc2cnc3c(cnn3C)c2)c(Cl)c1[O-] ZINC001249666352 805207717 /nfs/dbraw/zinc/20/77/17/805207717.db2.gz HUVLWJJOVRCYSU-UHFFFAOYSA-N -1 3 288.738 3.379 20 0 CGADHM O=c1cc(Nc2cccc(O)c2F)[n-]n1-c1ccccc1 ZINC001212546999 815061631 /nfs/dbraw/zinc/06/16/31/815061631.db2.gz CRDVFGJOPSFRFQ-UHFFFAOYSA-N -1 3 285.278 3.166 20 0 CGADHM Nc1c(F)cc(F)cc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC001151770788 805309755 /nfs/dbraw/zinc/30/97/55/805309755.db2.gz YVKMXFBWQXLHFA-UHFFFAOYSA-N -1 3 298.676 3.158 20 0 CGADHM [O-]c1ccc(-c2nc(-c3cc(F)cc(Cl)c3)no2)nc1 ZINC001212558265 815067959 /nfs/dbraw/zinc/06/79/59/815067959.db2.gz ZJWNMJCKTMUUSU-UHFFFAOYSA-N -1 3 291.669 3.297 20 0 CGADHM O=C(Nc1ccccc1[S-])c1cnc2ccc[nH]c1-2 ZINC001153244998 805388357 /nfs/dbraw/zinc/38/83/57/805388357.db2.gz IZQWVCJNSWCPNS-UHFFFAOYSA-N -1 3 269.329 3.104 20 0 CGADHM COc1ccc(C(=O)Nc2cc(F)ccc2[O-])cc1C ZINC001153468983 805398001 /nfs/dbraw/zinc/39/80/01/805398001.db2.gz ZIZCSSIIGRHAOH-UHFFFAOYSA-N -1 3 275.279 3.101 20 0 CGADHM CC(=O)c1ccsc1[N-]C(=O)c1nc2ccccc2o1 ZINC001153573279 805404018 /nfs/dbraw/zinc/40/40/18/805404018.db2.gz WFLJWZDGVHSMSO-UHFFFAOYSA-N -1 3 286.312 3.344 20 0 CGADHM CC(C)(C)n1cc(Nc2cc([O-])c(F)cc2F)cn1 ZINC001212571514 815073061 /nfs/dbraw/zinc/07/30/61/815073061.db2.gz WYHVWJMVUPPXIQ-UHFFFAOYSA-N -1 3 267.279 3.366 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2ccc3cc(F)ccc3n2)n1 ZINC001153892300 805420539 /nfs/dbraw/zinc/42/05/39/805420539.db2.gz RXUKKZGSNDULBX-UHFFFAOYSA-N -1 3 297.289 3.035 20 0 CGADHM Cn1nnc2cc(Nc3ccc(Cl)c([O-])c3)ccc21 ZINC001212592150 815080019 /nfs/dbraw/zinc/08/00/19/815080019.db2.gz ANWJDLRNLJCFBA-UHFFFAOYSA-N -1 3 274.711 3.071 20 0 CGADHM Nc1cccc(O)c1Nc1ccc(Cl)c([O-])c1 ZINC001212594179 815081116 /nfs/dbraw/zinc/08/11/16/815081116.db2.gz SOOKVJQZLVXLLU-UHFFFAOYSA-N -1 3 250.685 3.077 20 0 CGADHM COc1cc(Cc2cc(F)cc(F)c2[O-])cc(OC)c1 ZINC001250298351 805550242 /nfs/dbraw/zinc/55/02/42/805550242.db2.gz XCGFFVKNBULCKF-UHFFFAOYSA-N -1 3 280.270 3.278 20 0 CGADHM Cc1c(C)c(C(=O)Nc2cncc([O-])c2)nc2ccccc12 ZINC001155203747 805556938 /nfs/dbraw/zinc/55/69/38/805556938.db2.gz LQJZYZKTTPJMLI-UHFFFAOYSA-N -1 3 293.326 3.205 20 0 CGADHM Cc1nc([N-]C(=O)c2cc(-c3ccccc3)no2)oc1C ZINC001167297481 807178352 /nfs/dbraw/zinc/17/83/52/807178352.db2.gz WASJQFCYSJCYLI-UHFFFAOYSA-N -1 3 283.287 3.199 20 0 CGADHM Cc1ccccc1Cc1nnc(-c2c(C)cc(O)cc2[O-])o1 ZINC001258462984 807465470 /nfs/dbraw/zinc/46/54/70/807465470.db2.gz NYBLMWDCUIWZCS-UHFFFAOYSA-N -1 3 296.326 3.355 20 0 CGADHM [O-]c1cccc(Nc2cc(F)cc(CO)c2)c1Cl ZINC001212749196 815125788 /nfs/dbraw/zinc/12/57/88/815125788.db2.gz SQJPDVWCRKXNQW-UHFFFAOYSA-N -1 3 267.687 3.421 20 0 CGADHM Cc1cccc(C(F)(F)F)c1[N-]S(=O)(=O)CC(C)C ZINC001259885003 807692140 /nfs/dbraw/zinc/69/21/40/807692140.db2.gz SMXVJLCUBCMVDH-UHFFFAOYSA-N -1 3 295.326 3.412 20 0 CGADHM C[Si](C)(C)c1c(F)cccc1NCc1ncccc1[O-] ZINC001169732189 807700230 /nfs/dbraw/zinc/70/02/30/807700230.db2.gz IMHYWPPVAAKPCN-UHFFFAOYSA-N -1 3 290.414 3.084 20 0 CGADHM CCCc1cc(NCc2ncccc2[O-])nc(CCC)n1 ZINC001169732513 807701009 /nfs/dbraw/zinc/70/10/09/807701009.db2.gz ZFZSWTNGWATBOT-UHFFFAOYSA-N -1 3 286.379 3.094 20 0 CGADHM S=C1Cc2ccc(NCCc3cncs3)cc2[N-]1 ZINC001169867872 807720017 /nfs/dbraw/zinc/72/00/17/807720017.db2.gz GFJOLOUXBQJMIB-UHFFFAOYSA-N -1 3 275.402 3.093 20 0 CGADHM Cc1noc([N-]C(=O)C(F)(F)c2ccccc2C)c1C ZINC001261298538 807736337 /nfs/dbraw/zinc/73/63/37/807736337.db2.gz MRLFOGDLEBUVER-UHFFFAOYSA-N -1 3 280.274 3.330 20 0 CGADHM Cc1nc(C(C)C)oc1C(=O)[N-]c1cnoc1C(C)C ZINC001262638629 807883066 /nfs/dbraw/zinc/88/30/66/807883066.db2.gz DVCYVJBMHPNKGU-UHFFFAOYSA-N -1 3 277.324 3.470 20 0 CGADHM CSc1ccc(Nc2ncc(F)cc2[O-])cc1 ZINC001173814619 808685472 /nfs/dbraw/zinc/68/54/72/808685472.db2.gz YHQVXCXXFGXQMU-UHFFFAOYSA-N -1 3 250.298 3.392 20 0 CGADHM CCc1ccc(Nc2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC001173869494 808727263 /nfs/dbraw/zinc/72/72/63/808727263.db2.gz RSPLCISDVZBERH-UHFFFAOYSA-N -1 3 255.321 3.366 20 0 CGADHM O=c1cc(Nc2cc(F)cc(F)c2)nc(C2CC2)[n-]1 ZINC001173912731 808755753 /nfs/dbraw/zinc/75/57/53/808755753.db2.gz BRSPULYXILIQFD-UHFFFAOYSA-N -1 3 263.247 3.081 20 0 CGADHM COc1cccc(OC)c1Nc1c(F)cc([O-])cc1F ZINC001173924808 808763977 /nfs/dbraw/zinc/76/39/77/808763977.db2.gz JGDJZLNVJYMPGC-UHFFFAOYSA-N -1 3 281.258 3.431 20 0 CGADHM CC(=O)Nc1ccccc1Nc1ncc(Cl)cc1[O-] ZINC001173990274 808807510 /nfs/dbraw/zinc/80/75/10/808807510.db2.gz CQQUHIOMGQHJDB-UHFFFAOYSA-N -1 3 277.711 3.143 20 0 CGADHM CN(C)C(=O)c1ccc(Nc2ccc([O-])c(F)c2F)cc1 ZINC001174005462 808816146 /nfs/dbraw/zinc/81/61/46/808816146.db2.gz QHYNTJXNTNTKAZ-UHFFFAOYSA-N -1 3 292.285 3.116 20 0 CGADHM Cc1nc(Nc2cccc(OC(C)C)c2)cc(=O)[n-]1 ZINC001174112133 808871778 /nfs/dbraw/zinc/87/17/78/808871778.db2.gz AIQWBTLBONHTEC-UHFFFAOYSA-N -1 3 259.309 3.021 20 0 CGADHM [O-]c1cc(F)cc(F)c1Nc1ccc2nccn2c1 ZINC001174276614 808922621 /nfs/dbraw/zinc/92/26/21/808922621.db2.gz KFPRXPWIYPBDBQ-UHFFFAOYSA-N -1 3 261.231 3.062 20 0 CGADHM COc1ccc(C(=O)[N-]c2ccc(F)cc2SC)o1 ZINC001277094616 809057189 /nfs/dbraw/zinc/05/71/89/809057189.db2.gz AOECHEVSKJHJTN-UHFFFAOYSA-N -1 3 281.308 3.402 20 0 CGADHM CN(C)c1cccc(Nc2c(F)cc([O-])cc2F)c1 ZINC001174967003 809220784 /nfs/dbraw/zinc/22/07/84/809220784.db2.gz SNSQTWDOFMZIEN-UHFFFAOYSA-N -1 3 264.275 3.480 20 0 CGADHM [O-]c1c(F)cc(Nc2ccnn2C2CCC2)cc1F ZINC001213377668 815272976 /nfs/dbraw/zinc/27/29/76/815272976.db2.gz WDPAWORHYDNZBO-UHFFFAOYSA-N -1 3 265.263 3.336 20 0 CGADHM Nc1cc2cn(-c3cc(F)c([O-])c(F)c3)nc2cc1Cl ZINC001213386655 815275372 /nfs/dbraw/zinc/27/53/72/815275372.db2.gz NMGUVKLSKPCMNB-UHFFFAOYSA-N -1 3 295.676 3.245 20 0 CGADHM [O-]c1cc(F)c(Nc2cccc(CO)c2F)c(F)c1 ZINC001175096503 809268683 /nfs/dbraw/zinc/26/86/83/809268683.db2.gz BXZYACHPEAEENQ-UHFFFAOYSA-N -1 3 269.222 3.045 20 0 CGADHM [O-]c1cc(F)c(Nc2ccc(O)cc2F)c(F)c1 ZINC001175099964 809270762 /nfs/dbraw/zinc/27/07/62/809270762.db2.gz JNYBAQKLCOHSEN-UHFFFAOYSA-N -1 3 255.195 3.259 20 0 CGADHM CN(C)c1ccccc1Nc1c(F)cc([O-])cc1F ZINC001175100395 809270952 /nfs/dbraw/zinc/27/09/52/809270952.db2.gz RSACTBFLQIVQJV-UHFFFAOYSA-N -1 3 264.275 3.480 20 0 CGADHM Nc1ccccc1-c1ccn(-c2cc(F)c([O-])c(F)c2)n1 ZINC001213386871 815275783 /nfs/dbraw/zinc/27/57/83/815275783.db2.gz ZWUAQEXORNDGHY-UHFFFAOYSA-N -1 3 287.269 3.105 20 0 CGADHM [O-]c1cc(F)c(Nc2c(O)cccc2F)c(F)c1 ZINC001175100483 809272030 /nfs/dbraw/zinc/27/20/30/809272030.db2.gz VJOSCXCFBXHASR-UHFFFAOYSA-N -1 3 255.195 3.259 20 0 CGADHM Cn1cc2ccc(Nc3c(F)cc([O-])cc3F)cc2n1 ZINC001175100455 809272272 /nfs/dbraw/zinc/27/22/72/809272272.db2.gz UUXVQEJQPOXFBD-UHFFFAOYSA-N -1 3 275.258 3.301 20 0 CGADHM O=c1cc(Nc2c(F)ccc([O-])c2F)cc(Cl)[nH]1 ZINC001175263620 809328870 /nfs/dbraw/zinc/32/88/70/809328870.db2.gz NBUGAKQJBBJIBZ-UHFFFAOYSA-N -1 3 272.638 3.168 20 0 CGADHM Cc1nc(Cl)ncc1Nc1c(F)ccc([O-])c1F ZINC001175262792 809330193 /nfs/dbraw/zinc/33/01/93/809330193.db2.gz LJGCZIPZEXMJDZ-UHFFFAOYSA-N -1 3 271.654 3.166 20 0 CGADHM [O-]c1ccc(F)c(Nc2cc(C(F)(F)F)cnn2)c1F ZINC001175266669 809330934 /nfs/dbraw/zinc/33/09/34/809330934.db2.gz WIZAHJRAPYINBF-UHFFFAOYSA-N -1 3 291.179 3.223 20 0 CGADHM COCCOc1cccc(Nc2c(F)ccc([O-])c2F)c1 ZINC001175268125 809332705 /nfs/dbraw/zinc/33/27/05/809332705.db2.gz KWQCRDXOPUWISN-UHFFFAOYSA-N -1 3 295.285 3.439 20 0 CGADHM Cc1cccc(O)c1Nc1c(F)ccc([O-])c1F ZINC001175269005 809332969 /nfs/dbraw/zinc/33/29/69/809332969.db2.gz WCDGFAOPEOLATP-UHFFFAOYSA-N -1 3 251.232 3.428 20 0 CGADHM Cc1nc(Nc2ccc(C3CC3)cc2F)cc(=O)[n-]1 ZINC001213457359 815285123 /nfs/dbraw/zinc/28/51/23/815285123.db2.gz TVFAFSLRNASKDL-UHFFFAOYSA-N -1 3 259.284 3.251 20 0 CGADHM Cn1ncc2cc(Nc3cc([O-])c(F)cc3F)ccc21 ZINC001175424113 809400386 /nfs/dbraw/zinc/40/03/86/809400386.db2.gz IRJGQELTKWMIAP-UHFFFAOYSA-N -1 3 275.258 3.301 20 0 CGADHM Cc1ccnc(C(C)C)c1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175428450 809401315 /nfs/dbraw/zinc/40/13/15/809401315.db2.gz JSVBIKXSHMOGMT-UHFFFAOYSA-N -1 3 294.362 3.437 20 0 CGADHM Cc1noc2ccc(Nc3ccc(-c4nn[n-]n4)cc3)cc12 ZINC001175430443 809401416 /nfs/dbraw/zinc/40/14/16/809401416.db2.gz QZFHEIAGEMNDSO-UHFFFAOYSA-N -1 3 292.302 3.060 20 0 CGADHM CCc1ccccc1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175430450 809401446 /nfs/dbraw/zinc/40/14/46/809401446.db2.gz RGXQDYGCJBORSE-UHFFFAOYSA-N -1 3 265.320 3.173 20 0 CGADHM CC(=O)c1cc(C)ccc1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175432442 809402829 /nfs/dbraw/zinc/40/28/29/809402829.db2.gz NFLHITVBZQFGPQ-UHFFFAOYSA-N -1 3 293.330 3.121 20 0 CGADHM Cc1[nH]nc(NC(=O)c2cc3sccc3c([O-])c2)c1C ZINC001292819395 809438080 /nfs/dbraw/zinc/43/80/80/809438080.db2.gz BRXVCXLIAYCXPI-UHFFFAOYSA-N -1 3 287.344 3.199 20 0 CGADHM CSc1ccc([O-])c(C(=O)N[C@@H]2CCC[C@@H]2C)c1 ZINC001293164602 809443736 /nfs/dbraw/zinc/44/37/36/809443736.db2.gz ITWVUFLRMUQBPC-JOYOIKCWSA-N -1 3 265.378 3.033 20 0 CGADHM Cc1cc(-c2noc(-c3cc(Cl)n[n-]3)n2)ccc1F ZINC001213498706 815290751 /nfs/dbraw/zinc/29/07/51/815290751.db2.gz RIBOKPNUTBGAHQ-UHFFFAOYSA-N -1 3 278.674 3.228 20 0 CGADHM CC(C)Sc1ccc(Nc2cnc[n-]c2=O)cc1 ZINC001175624064 809478716 /nfs/dbraw/zinc/47/87/16/809478716.db2.gz QTHCHFLVMJIQLO-UHFFFAOYSA-N -1 3 261.350 3.426 20 0 CGADHM CCNC(=O)c1ccc(Nc2ccc([O-])c(F)c2F)cc1 ZINC001175631402 809481281 /nfs/dbraw/zinc/48/12/81/809481281.db2.gz MFMMSXBUSIDFSN-UHFFFAOYSA-N -1 3 292.285 3.164 20 0 CGADHM Cc1cc(C)c(Nc2cc(=O)n(-c3ccccc3)[n-]2)cn1 ZINC001213508411 815293044 /nfs/dbraw/zinc/29/30/44/815293044.db2.gz RYYOVAAIFQDRRU-UHFFFAOYSA-N -1 3 280.331 3.333 20 0 CGADHM C[C@H](C(=O)Nc1ccc(Cl)cc1[O-])c1ccccn1 ZINC001295973207 809496888 /nfs/dbraw/zinc/49/68/88/809496888.db2.gz WOUPNMOZDKMNKV-VIFPVBQESA-N -1 3 276.723 3.183 20 0 CGADHM O=c1ccn(-c2ccc(NC3=CCCCC3)cc2)[n-]1 ZINC001175754518 809532665 /nfs/dbraw/zinc/53/26/65/809532665.db2.gz GOGSIUFHLVGPSZ-UHFFFAOYSA-N -1 3 255.321 3.448 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2nc3cc(C)ccc3[nH]2)c1 ZINC001298563387 809535109 /nfs/dbraw/zinc/53/51/09/809535109.db2.gz DUNXEWJMKNEGMF-UHFFFAOYSA-N -1 3 295.342 3.392 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2nc3ccc(C)cc3[nH]2)c1 ZINC001298563387 809535112 /nfs/dbraw/zinc/53/51/12/809535112.db2.gz DUNXEWJMKNEGMF-UHFFFAOYSA-N -1 3 295.342 3.392 20 0 CGADHM O=C(C[C@@H]1C[C@H]1Cc1ccccc1)[N-]OCC1CCC1 ZINC001301102229 809579221 /nfs/dbraw/zinc/57/92/21/809579221.db2.gz BLNDVIGFIQPNGP-CVEARBPZSA-N -1 3 273.376 3.103 20 0 CGADHM COc1ccncc1Nc1nc2c(cccc2[O-])s1 ZINC001176118762 809626713 /nfs/dbraw/zinc/62/67/13/809626713.db2.gz GRYSTQQYHMADGS-UHFFFAOYSA-N -1 3 273.317 3.149 20 0 CGADHM [O-]c1cc(Cl)c(NC2=CCOCC2)cc1Cl ZINC001176148450 809635850 /nfs/dbraw/zinc/63/58/50/809635850.db2.gz VFXIHRYBZGDXAT-UHFFFAOYSA-N -1 3 260.120 3.415 20 0 CGADHM Cc1ccc2nc(N)n(-c3c(F)cc(F)c([O-])c3F)c2c1 ZINC001176663727 809738278 /nfs/dbraw/zinc/73/82/78/809738278.db2.gz LBWQYAGAVQNPOR-UHFFFAOYSA-N -1 3 293.248 3.039 20 0 CGADHM O=C(Cc1ccc2cc[nH]c2c1)Nc1ccc(F)c([O-])c1 ZINC001181805111 810072835 /nfs/dbraw/zinc/07/28/35/810072835.db2.gz FPGYJVQQNJHZGE-UHFFFAOYSA-N -1 3 284.290 3.194 20 0 CGADHM [O-]c1ccc(CNCC2=CCCCC2)c(F)c1F ZINC001182109167 810093422 /nfs/dbraw/zinc/09/34/22/810093422.db2.gz KNGRPEOQAKQMNJ-UHFFFAOYSA-N -1 3 253.292 3.260 20 0 CGADHM Cc1cc(C2CC2)ccc1Nc1ccc(C(N)=O)c([O-])c1 ZINC001213866923 815340509 /nfs/dbraw/zinc/34/05/09/815340509.db2.gz UDEOXDNZIKCNGV-UHFFFAOYSA-N -1 3 282.343 3.421 20 0 CGADHM [O-]c1ccc(CN2CC[C@H](c3nccs3)C2)c(F)c1F ZINC001183526644 810151815 /nfs/dbraw/zinc/15/18/15/810151815.db2.gz PYOBRXWOAKJNCJ-JTQLQIEISA-N -1 3 296.342 3.116 20 0 CGADHM CC(C)(/C=C\Cl)NCc1ccc([O-])c(F)c1F ZINC001183899804 810168421 /nfs/dbraw/zinc/16/84/21/810168421.db2.gz WPVLDUUYPWCPJE-WAYWQWQTSA-N -1 3 261.699 3.291 20 0 CGADHM O=C(NCC1CCCCC1)Nc1cc(F)ccc1[O-] ZINC001186875437 810368686 /nfs/dbraw/zinc/36/86/86/810368686.db2.gz LZPPXAUUXYKVRC-UHFFFAOYSA-N -1 3 266.316 3.233 20 0 CGADHM Cc1cc(F)cc(Nc2ccc(C(N)=O)c([O-])c2)c1Cl ZINC001214078400 815364994 /nfs/dbraw/zinc/36/49/94/815364994.db2.gz MUPILLDWSVMYFM-UHFFFAOYSA-N -1 3 294.713 3.336 20 0 CGADHM COc1ccccc1[C@H](C)C(=O)Nc1ccc(F)c([O-])c1 ZINC001187685732 810416172 /nfs/dbraw/zinc/41/61/72/810416172.db2.gz OPKSXKYQYCIIQR-JTQLQIEISA-N -1 3 289.306 3.282 20 0 CGADHM O=C(Nc1ccc(F)c([O-])c1)c1cc(C(F)(F)F)c[nH]1 ZINC001187703014 810417976 /nfs/dbraw/zinc/41/79/76/810417976.db2.gz WYPOFDLRUKVXLR-UHFFFAOYSA-N -1 3 288.200 3.131 20 0 CGADHM O=C(Nc1ccc(F)c([O-])c1)c1ccoc1C(F)(F)F ZINC001187719349 810420063 /nfs/dbraw/zinc/42/00/63/810420063.db2.gz IGNGBWWXUIOHHW-UHFFFAOYSA-N -1 3 289.184 3.395 20 0 CGADHM O=S(=O)([N-]c1ccccc1-c1nccs1)C1CCC1 ZINC001188144148 810457838 /nfs/dbraw/zinc/45/78/38/810457838.db2.gz HXHRBKSVHHTLSA-UHFFFAOYSA-N -1 3 294.401 3.104 20 0 CGADHM Cc1ncc(C(=O)Nc2cc([O-])cc(Cl)c2)s1 ZINC001188417645 810481259 /nfs/dbraw/zinc/48/12/59/810481259.db2.gz QIBZGGARCBQCQB-UHFFFAOYSA-N -1 3 268.725 3.063 20 0 CGADHM Cc1cc(F)cc(Cl)c1[N-]S(=O)(=O)c1ccoc1 ZINC001188615515 810494158 /nfs/dbraw/zinc/49/41/58/810494158.db2.gz OZKLDGPAFHPTFU-UHFFFAOYSA-N -1 3 289.715 3.181 20 0 CGADHM Cc1cccc([O-])c1C(=O)Nc1cc(-c2ccncc2)no1 ZINC001188639507 810496711 /nfs/dbraw/zinc/49/67/11/810496711.db2.gz YVSZRIDFSVDDGM-UHFFFAOYSA-N -1 3 295.298 3.003 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CC[C@@H](C)C(F)(F)CC1 ZINC001188640258 810496998 /nfs/dbraw/zinc/49/69/98/810496998.db2.gz LABNPASFXXLFRB-LLVKDONJSA-N -1 3 283.318 3.208 20 0 CGADHM Cc1cccc([O-])c1C(=O)N(C)Cc1ccc(F)cc1F ZINC001188647113 810498573 /nfs/dbraw/zinc/49/85/73/810498573.db2.gz LUCRVCGGBNDVPE-UHFFFAOYSA-N -1 3 291.297 3.251 20 0 CGADHM Cc1cccc([O-])c1C(=O)N(C)Cc1nc2ccccc2o1 ZINC001188647356 810498624 /nfs/dbraw/zinc/49/86/24/810498624.db2.gz RGPRAPAQGAKGDC-UHFFFAOYSA-N -1 3 296.326 3.114 20 0 CGADHM Cc1cccc([O-])c1C(=O)N[C@@H](C)c1nc2ccccc2[nH]1 ZINC001188654880 810499953 /nfs/dbraw/zinc/49/99/53/810499953.db2.gz IPVQGPWICGZNME-NSHDSACASA-N -1 3 295.342 3.068 20 0 CGADHM Cc1cccc([O-])c1C(=O)N[C@H](c1cccnc1)C(C)C ZINC001188659570 810500679 /nfs/dbraw/zinc/50/06/79/810500679.db2.gz RTIKIXTVPZZZAO-INIZCTEOSA-N -1 3 284.359 3.223 20 0 CGADHM Cc1cccc([O-])c1C(=O)Nc1ccc(C2(C)COC2)cc1 ZINC001188655580 810500703 /nfs/dbraw/zinc/50/07/03/810500703.db2.gz QQRVKOGUIXIMRZ-UHFFFAOYSA-N -1 3 297.354 3.241 20 0 CGADHM CCCCNC(=O)Nc1ccc(C(F)(F)F)cc1[O-] ZINC001190615550 810637758 /nfs/dbraw/zinc/63/77/58/810637758.db2.gz FOYBFUKTMDBRBS-UHFFFAOYSA-N -1 3 276.258 3.333 20 0 CGADHM C[C@H]1C[C@H](NC(=O)c2ccc(=O)[n-]c2Cl)CC(C)(C)C1 ZINC001190917585 810656974 /nfs/dbraw/zinc/65/69/74/810656974.db2.gz IOWPAYNLEMWUFG-UWVGGRQHSA-N -1 3 296.798 3.385 20 0 CGADHM O=S(=O)(CC1CCCC1)[N-]c1cc(F)cc(Cl)c1 ZINC001191523291 810721516 /nfs/dbraw/zinc/72/15/16/810721516.db2.gz OGSLWWQLTRSHGP-UHFFFAOYSA-N -1 3 291.775 3.411 20 0 CGADHM COCCN(C(=O)c1ccc(C(C)(C)C)cc1[O-])C(C)C ZINC001192324087 810788155 /nfs/dbraw/zinc/78/81/55/810788155.db2.gz CQXDJRRHHMPNBA-UHFFFAOYSA-N -1 3 293.407 3.187 20 0 CGADHM CC[C@H]([N-]S(=O)(=O)c1cc(C)c(Cl)s1)C1CC1 ZINC001192637322 810813025 /nfs/dbraw/zinc/81/30/25/810813025.db2.gz WSSLXLWEECCKFK-VIFPVBQESA-N -1 3 293.841 3.177 20 0 CGADHM CCCCCNC(=O)Nc1nc2c(cccc2[O-])s1 ZINC001193282440 810866880 /nfs/dbraw/zinc/86/68/80/810866880.db2.gz QHZYVFRRGAMKBL-UHFFFAOYSA-N -1 3 279.365 3.314 20 0 CGADHM O=C(N=c1[nH]c2c(cccc2[O-])s1)OC1CCCC1 ZINC001193521459 810903657 /nfs/dbraw/zinc/90/36/57/810903657.db2.gz PANCLMYORSGCPU-UHFFFAOYSA-N -1 3 278.333 3.493 20 0 CGADHM O=C(N[C@H]1CC12CCC2)c1ccc([O-])cc1C(F)(F)F ZINC001193759776 810949260 /nfs/dbraw/zinc/94/92/60/810949260.db2.gz YMBSCHSLGQNDEN-NSHDSACASA-N -1 3 285.265 3.083 20 0 CGADHM Cc1ccc(Nc2cc(F)c([O-])c(F)c2)c(CO)c1 ZINC001214459476 815412494 /nfs/dbraw/zinc/41/24/94/815412494.db2.gz AWFVHGXOROKZCB-UHFFFAOYSA-N -1 3 265.259 3.215 20 0 CGADHM CCCOC(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC001194122559 811017324 /nfs/dbraw/zinc/01/73/24/811017324.db2.gz NUTBHQBDKDMFPF-UHFFFAOYSA-N -1 3 263.215 3.370 20 0 CGADHM CC(=O)c1cccc([O-])c1NC(=O)OCC(C)(C)C ZINC001194385404 811063585 /nfs/dbraw/zinc/06/35/85/811063585.db2.gz NSFINDIDNNREBA-UHFFFAOYSA-N -1 3 265.309 3.189 20 0 CGADHM CCC(CC)COC(=O)Nc1ccc(C(=O)OC)cc1[O-] ZINC001194706543 811111624 /nfs/dbraw/zinc/11/16/24/811111624.db2.gz IYEJWNACJUTWDJ-UHFFFAOYSA-N -1 3 295.335 3.164 20 0 CGADHM Cc1csc(NC(=O)c2cnc(C(F)(F)F)[n-]2)c1 ZINC001194770453 811129460 /nfs/dbraw/zinc/12/94/60/811129460.db2.gz JJMBBYSVYCLCRO-UHFFFAOYSA-N -1 3 275.255 3.051 20 0 CGADHM Cc1cc(O)cc(C)c1NC(=O)c1cnc(C(F)(F)F)[n-]1 ZINC001194783160 811131813 /nfs/dbraw/zinc/13/18/13/811131813.db2.gz GXZUDXWXFMYZCA-UHFFFAOYSA-N -1 3 299.252 3.003 20 0 CGADHM COc1nccc(Nc2c(Cl)ccc([O-])c2F)c1F ZINC001214559306 815424773 /nfs/dbraw/zinc/42/47/73/815424773.db2.gz MAJXWPFMVUDRHD-UHFFFAOYSA-N -1 3 286.665 3.471 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2cccc(C3CCC3)n2)n1 ZINC001197865121 811458550 /nfs/dbraw/zinc/45/85/50/811458550.db2.gz CQKHBCFVORTVMN-UHFFFAOYSA-N -1 3 283.331 3.010 20 0 CGADHM Cc1ccc([O-])c(NC(=O)Nc2cccc(Cl)c2)n1 ZINC001202238954 812048492 /nfs/dbraw/zinc/04/84/92/812048492.db2.gz RYLHPEMYPVWHLU-UHFFFAOYSA-N -1 3 277.711 3.393 20 0 CGADHM O=C(Nc1cc([O-])cc(Cl)c1)NC1CCCCC1 ZINC001202615160 812136589 /nfs/dbraw/zinc/13/65/89/812136589.db2.gz SSPLSDVFWIZYSL-UHFFFAOYSA-N -1 3 268.744 3.500 20 0 CGADHM CCOc1cc(C)c([N-]c2noc(C(C)(C)C)n2)cn1 ZINC001203040853 812224102 /nfs/dbraw/zinc/22/41/02/812224102.db2.gz CLBQREWJMXFFCY-UHFFFAOYSA-N -1 3 276.340 3.213 20 0 CGADHM CC(=O)c1cc(-c2nc(-c3cccnc3C)no2)ccc1[O-] ZINC001215365104 815510159 /nfs/dbraw/zinc/51/01/59/815510159.db2.gz JZRUTNQWRRQFAQ-UHFFFAOYSA-N -1 3 295.298 3.015 20 0 CGADHM [O-]c1cc(F)c(Nc2ccc(Cl)cn2)cc1F ZINC001215569689 815536072 /nfs/dbraw/zinc/53/60/72/815536072.db2.gz DCEHOXBIJNLMNT-UHFFFAOYSA-N -1 3 256.639 3.462 20 0 CGADHM COC(=O)c1cc(Nc2cc(F)c([O-])cc2F)cs1 ZINC001215570736 815536412 /nfs/dbraw/zinc/53/64/12/815536412.db2.gz MPQOBCVGXRTBAN-UHFFFAOYSA-N -1 3 285.271 3.262 20 0 CGADHM [O-]c1cc(F)c(Nc2cc(-c3ccccn3)no2)cc1F ZINC001215572152 815537607 /nfs/dbraw/zinc/53/76/07/815537607.db2.gz NEHALINMXKPPFJ-UHFFFAOYSA-N -1 3 289.241 3.464 20 0 CGADHM [O-]c1cc(F)c(Nc2cnn3cc(F)ccc23)cc1F ZINC001215572801 815538736 /nfs/dbraw/zinc/53/87/36/815538736.db2.gz XBPOXPAWXVTZCK-UHFFFAOYSA-N -1 3 279.221 3.201 20 0 CGADHM CC[C@H]1C[C@H](C)CN1Cc1ncc(Br)cc1[O-] ZINC001204775298 812734334 /nfs/dbraw/zinc/73/43/34/812734334.db2.gz BOUYCHCGPYTCNE-ONGXEEELSA-N -1 3 299.212 3.170 20 0 CGADHM Cc1cnccc1Nc1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC001215640573 815549710 /nfs/dbraw/zinc/54/97/10/815549710.db2.gz QUMJBNUHULKXBP-UHFFFAOYSA-N -1 3 296.248 3.273 20 0 CGADHM Cc1cc(N(C)C)nc(-c2ccc([O-])cc2C(F)(F)F)n1 ZINC001205080369 812851471 /nfs/dbraw/zinc/85/14/71/812851471.db2.gz VYNOZONOEUBEBZ-UHFFFAOYSA-N -1 3 297.280 3.242 20 0 CGADHM [O-]c1ccc(-c2ncc(CF)cn2)c(C(F)(F)F)c1 ZINC001205087892 812855277 /nfs/dbraw/zinc/85/52/77/812855277.db2.gz WXLUKXJMRBKSPV-UHFFFAOYSA-N -1 3 272.201 3.338 20 0 CGADHM Nc1ccnc2cc(-c3ccsc3C(=O)[O-])ccc12 ZINC001205605219 813021841 /nfs/dbraw/zinc/02/18/41/813021841.db2.gz GVMRIZVAZFQZKS-UHFFFAOYSA-N -1 3 270.313 3.244 20 0 CGADHM Cc1ccc(F)c(Nc2cc(=O)n(-c3ccccc3)[n-]2)c1O ZINC001215738572 815570660 /nfs/dbraw/zinc/57/06/60/815570660.db2.gz KRXQGTIYMXAUJC-UHFFFAOYSA-N -1 3 299.305 3.475 20 0 CGADHM COc1ccc2c(c1)ncnc2-c1ccc([O-])cc1F ZINC001206030260 813172527 /nfs/dbraw/zinc/17/25/27/813172527.db2.gz SAUJEICQUNDDCD-UHFFFAOYSA-N -1 3 270.263 3.150 20 0 CGADHM COc1ccc2nc(-c3ccc([O-])cc3F)cnc2c1 ZINC001206030517 813172916 /nfs/dbraw/zinc/17/29/16/813172916.db2.gz ZICRITSIUZQMRZ-UHFFFAOYSA-N -1 3 270.263 3.150 20 0 CGADHM CC(C)(C)c1nc2[nH]cnc2c(-c2ccc([O-])cc2F)n1 ZINC001206037505 813176365 /nfs/dbraw/zinc/17/63/65/813176365.db2.gz JQSZUDCIAYEHLM-UHFFFAOYSA-N -1 3 286.310 3.114 20 0 CGADHM Cc1nnc(-c2ccc([O-])cc2F)c2ccccc12 ZINC001206038025 813177688 /nfs/dbraw/zinc/17/76/88/813177688.db2.gz PRWYUWIDGDGTTE-UHFFFAOYSA-N -1 3 254.264 3.450 20 0 CGADHM [O-]c1ccc(-c2cc(-c3cccnc3)ncn2)c(F)c1 ZINC001206045038 813179147 /nfs/dbraw/zinc/17/91/47/813179147.db2.gz XDFUALFBNWQDSZ-UHFFFAOYSA-N -1 3 267.263 3.050 20 0 CGADHM CCN(Cc1ccc([O-])c(F)c1)c1cccc(O)c1 ZINC001206664822 813393587 /nfs/dbraw/zinc/39/35/87/813393587.db2.gz UKTJVXGJMWGAPI-UHFFFAOYSA-N -1 3 261.296 3.263 20 0 CGADHM CC(=O)c1cc2c(cc1Nc1cc([O-])cc(F)c1)OCO2 ZINC001206851606 813451382 /nfs/dbraw/zinc/45/13/82/813451382.db2.gz QVUZIYHWLXSGNU-UHFFFAOYSA-N -1 3 289.262 3.206 20 0 CGADHM O=C1N=NC(=O)c2c(Nc3cc([O-])cc(F)c3)cccc21 ZINC001206851905 813451876 /nfs/dbraw/zinc/45/18/76/813451876.db2.gz YDXCRWFZVIGDMZ-UHFFFAOYSA-N -1 3 285.234 3.021 20 0 CGADHM COc1ccc(Nc2ccnc(C3CC3)c2)cc1C(=O)[O-] ZINC001209900140 814192826 /nfs/dbraw/zinc/19/28/26/814192826.db2.gz GBLKMXWOJAWIAF-UHFFFAOYSA-N -1 3 284.315 3.409 20 0 CGADHM CC1(C)CC=C(n2[n-]c(=O)c3ccc(N)cc32)CC1 ZINC001210168957 814318890 /nfs/dbraw/zinc/31/88/90/814318890.db2.gz ZLLXWSITWPDPRI-UHFFFAOYSA-N -1 3 257.337 3.375 20 0 CGADHM CC(=O)c1cc(Nc2cccc(F)c2[O-])ccc1O ZINC001210200189 814335038 /nfs/dbraw/zinc/33/50/38/814335038.db2.gz YLZJKRRXQHPHNV-UHFFFAOYSA-N -1 3 261.252 3.183 20 0 CGADHM Cc1cnn2cc(Nc3cccc(Cl)c3[O-])cnc12 ZINC001210219502 814346486 /nfs/dbraw/zinc/34/64/86/814346486.db2.gz QOCUXOFCKJNARK-UHFFFAOYSA-N -1 3 274.711 3.140 20 0 CGADHM [O-]c1c(Cl)cccc1Nc1nccnc1Cl ZINC001210216558 814347126 /nfs/dbraw/zinc/34/71/26/814347126.db2.gz KDGVTMKIRHVURS-UHFFFAOYSA-N -1 3 256.092 3.233 20 0 CGADHM Cc1cc2ncc(Nc3cccc(Cl)c3[O-])cn2n1 ZINC001210218298 814347602 /nfs/dbraw/zinc/34/76/02/814347602.db2.gz IEYQAECKNHMZHI-UHFFFAOYSA-N -1 3 274.711 3.140 20 0 CGADHM [O-]c1c(Cl)cccc1Nc1cnnc(Cl)c1 ZINC001210216671 814347756 /nfs/dbraw/zinc/34/77/56/814347756.db2.gz MGAHNQLKENNBDP-UHFFFAOYSA-N -1 3 256.092 3.233 20 0 CGADHM O=C1NCc2c(Nc3cccc(Cl)c3[O-])cccc2N1 ZINC001210223035 814350966 /nfs/dbraw/zinc/35/09/66/814350966.db2.gz IFMPBJLQBUWMAP-UHFFFAOYSA-N -1 3 289.722 3.424 20 0 CGADHM Nc1cccc(Nc2cccc(Cl)c2[O-])c1O ZINC001210222721 814351215 /nfs/dbraw/zinc/35/12/15/814351215.db2.gz VMIJXUWFCBCHLX-UHFFFAOYSA-N -1 3 250.685 3.077 20 0 CGADHM CN1Cc2c(cccc2Nc2cccc(Cl)c2[O-])C1=O ZINC001210223257 814351420 /nfs/dbraw/zinc/35/14/20/814351420.db2.gz LLULAPPCEFJCND-UHFFFAOYSA-N -1 3 288.734 3.375 20 0 CGADHM [O-]c1c(Cl)cccc1Nc1cccc(F)c1CO ZINC001210223189 814351610 /nfs/dbraw/zinc/35/16/10/814351610.db2.gz NMRMQEOYVQGXSN-UHFFFAOYSA-N -1 3 267.687 3.421 20 0 CGADHM COc1ncc(Cl)cc1Nc1cc([O-])c(F)cc1F ZINC001210451784 814463148 /nfs/dbraw/zinc/46/31/48/814463148.db2.gz KIOBTURJGSWAPR-UHFFFAOYSA-N -1 3 286.665 3.471 20 0 CGADHM CCc1ncccc1Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001210465230 814471699 /nfs/dbraw/zinc/47/16/99/814471699.db2.gz KIHOTINSBZRHOM-UHFFFAOYSA-N -1 3 280.331 3.279 20 0 CGADHM CC(C)n1nccc1Nc1cc([O-])c(F)cc1F ZINC001210520978 814506725 /nfs/dbraw/zinc/50/67/25/814506725.db2.gz QAIAVESZHJIDOE-UHFFFAOYSA-N -1 3 253.252 3.191 20 0 CGADHM Cc1ccc(CO)cc1Nc1cc([O-])c(F)cc1F ZINC001210680175 814582732 /nfs/dbraw/zinc/58/27/32/814582732.db2.gz CDQCQKXQOVVENK-UHFFFAOYSA-N -1 3 265.259 3.215 20 0 CGADHM CCc1cc(OC)ccc1Nc1ncc(F)cc1[O-] ZINC001210714994 814594995 /nfs/dbraw/zinc/59/49/95/814594995.db2.gz FXSUMRRSWSYIKZ-UHFFFAOYSA-N -1 3 262.284 3.241 20 0 CGADHM CC(C)c1nnc([N-]c2ccccc2-n2cccn2)o1 ZINC001210730961 814600673 /nfs/dbraw/zinc/60/06/73/814600673.db2.gz MNRMBNPHSKSVQK-UHFFFAOYSA-N -1 3 269.308 3.122 20 0 CGADHM CN(c1cccc([O-])c1Cl)c1nc(Cl)ccc1N ZINC001210854070 814651928 /nfs/dbraw/zinc/65/19/28/814651928.db2.gz YCOUGDNXAAFGQU-UHFFFAOYSA-N -1 3 284.146 3.444 20 0 CGADHM Cc1nnc2ccc(Nc3cccc([O-])c3Cl)cn12 ZINC001210855442 814652016 /nfs/dbraw/zinc/65/20/16/814652016.db2.gz NVSZTCFXCNGLII-UHFFFAOYSA-N -1 3 274.711 3.140 20 0 CGADHM Nc1cc2c(cc1Nc1cccc([O-])c1Cl)OCO2 ZINC001210855173 814652078 /nfs/dbraw/zinc/65/20/78/814652078.db2.gz STYFKVYDZHCIIW-UHFFFAOYSA-N -1 3 278.695 3.100 20 0 CGADHM CCc1cc2ncc(Nc3cccc([O-])c3Cl)cn2n1 ZINC001210855139 814652161 /nfs/dbraw/zinc/65/21/61/814652161.db2.gz IYPILLRPQWEQNZ-UHFFFAOYSA-N -1 3 288.738 3.394 20 0 CGADHM [O-]c1cccc(Nc2ccc(CO)cc2F)c1Cl ZINC001210854221 814652283 /nfs/dbraw/zinc/65/22/83/814652283.db2.gz IROBXRXPVUHEAM-UHFFFAOYSA-N -1 3 267.687 3.421 20 0 CGADHM Cc1c(Nc2cccc([O-])c2Cl)cnn1[C@H]1CCOC1 ZINC001210854855 814652424 /nfs/dbraw/zinc/65/24/24/814652424.db2.gz CLZKADXYIXVLRK-JTQLQIEISA-N -1 3 293.754 3.256 20 0 CGADHM CN(C)C(=O)c1ccccc1Nc1cccc([O-])c1Cl ZINC001210854404 814652456 /nfs/dbraw/zinc/65/24/56/814652456.db2.gz UUZHGBMVEWHZHP-UHFFFAOYSA-N -1 3 290.750 3.491 20 0 CGADHM COC(=O)c1cc(O)cc(Nc2cccc([O-])c2Cl)c1 ZINC001210860234 814655255 /nfs/dbraw/zinc/65/52/55/814655255.db2.gz RKQSMJKSURFLMN-UHFFFAOYSA-N -1 3 293.706 3.281 20 0 CGADHM [O-]c1c(F)cc(Nc2c[nH]c3ncccc23)cc1F ZINC001210941311 814682732 /nfs/dbraw/zinc/68/27/32/814682732.db2.gz QGXVDSFBYJTREZ-UHFFFAOYSA-N -1 3 261.231 3.290 20 0 CGADHM Cc1ccc2ccccc2c1Nc1cnc[n-]c1=O ZINC001211120574 814753163 /nfs/dbraw/zinc/75/31/63/814753163.db2.gz QARGTLQRCGRHAJ-UHFFFAOYSA-N -1 3 251.289 3.387 20 0 CGADHM [O-]c1cc(Cl)cnc1Nc1cnccc1Cl ZINC001211207228 814848006 /nfs/dbraw/zinc/84/80/06/814848006.db2.gz CSSARWXURLDXKN-UHFFFAOYSA-N -1 3 256.092 3.233 20 0 CGADHM CCCCOC(=O)c1cccc([N-]c2nnc(C)o2)c1 ZINC001211280478 814869197 /nfs/dbraw/zinc/86/91/97/814869197.db2.gz OSWKICUVZJDJKB-UHFFFAOYSA-N -1 3 275.308 3.079 20 0 CGADHM Cc1ncc(Nc2ccnc(Oc3ccccc3)c2)c(=O)[n-]1 ZINC001215774255 815586541 /nfs/dbraw/zinc/58/65/41/815586541.db2.gz GHUGMVDWAQMUEW-UHFFFAOYSA-N -1 3 294.314 3.422 20 0 CGADHM COCOc1ccc(Nc2ncc(Cl)cc2[O-])cc1 ZINC001211630797 814921084 /nfs/dbraw/zinc/92/10/84/814921084.db2.gz FXCVXZMLALGKFY-UHFFFAOYSA-N -1 3 280.711 3.167 20 0 CGADHM Cc1cc(NC(=S)c2cccc(N)c2)cc([O-])c1F ZINC001216082332 815687091 /nfs/dbraw/zinc/68/70/91/815687091.db2.gz OTBWLXQPHWHKDI-UHFFFAOYSA-N -1 3 276.336 3.210 20 0 CGADHM COc1ccc(Nc2ccc([O-])c(Cl)c2)cc1N ZINC001216257893 815758539 /nfs/dbraw/zinc/75/85/39/815758539.db2.gz DXBUQKGBXNAPGT-UHFFFAOYSA-N -1 3 264.712 3.380 20 0 CGADHM [O-]c1cc(-c2ccnc(-c3cncs3)n2)ccc1F ZINC001243050691 823227981 /nfs/dbraw/zinc/22/79/81/823227981.db2.gz QRGPXMKJDQYGKL-UHFFFAOYSA-N -1 3 273.292 3.112 20 0 CGADHM [O-]c1cc(-c2ccc(Cn3ccnc3)cc2)ccc1F ZINC001243051605 823228721 /nfs/dbraw/zinc/22/87/21/823228721.db2.gz OIKFFECYXCWNLM-UHFFFAOYSA-N -1 3 268.291 3.443 20 0 CGADHM COC(=O)c1cc(F)ccc1-c1ccc(F)c([O-])c1 ZINC001243048772 823226014 /nfs/dbraw/zinc/22/60/14/823226014.db2.gz JAJIVDCBFTVLIF-UHFFFAOYSA-N -1 3 264.227 3.124 20 0 CGADHM COc1cc(F)c(F)cc1-c1ccc(F)c([O-])c1 ZINC001243049339 823226737 /nfs/dbraw/zinc/22/67/37/823226737.db2.gz LMXFZYHXVQNSGB-UHFFFAOYSA-N -1 3 254.207 3.485 20 0 CGADHM COC(=O)CCc1ccc(-c2ccc(F)c([O-])c2)cc1 ZINC001243050181 823227057 /nfs/dbraw/zinc/22/70/57/823227057.db2.gz RSDNOQLJEDGUIF-UHFFFAOYSA-N -1 3 274.291 3.304 20 0 CGADHM [O-]c1cc(-c2ncnc3ccc(F)cc32)ccc1F ZINC001243050277 823227559 /nfs/dbraw/zinc/22/75/59/823227559.db2.gz WMRQTRCWLDQOCM-UHFFFAOYSA-N -1 3 258.227 3.281 20 0 CGADHM O=C1CCc2c(cccc2-c2ccc(F)c([O-])c2)N1 ZINC001243051471 823228383 /nfs/dbraw/zinc/22/83/83/823228383.db2.gz MPOZQMFDURMUPQ-UHFFFAOYSA-N -1 3 257.264 3.083 20 0 CGADHM COC(=O)c1cc2c(cccc2-c2ccc(F)c([O-])c2)[nH]1 ZINC001243050405 823227633 /nfs/dbraw/zinc/22/76/33/823227633.db2.gz VELLJCOKHZTHSA-UHFFFAOYSA-N -1 3 285.274 3.466 20 0 CGADHM C[S@](=N)(=O)c1ccc(-c2ccc(F)c([O-])c2)cc1 ZINC001243051045 823227970 /nfs/dbraw/zinc/22/79/70/823227970.db2.gz KOMNROBJWBBXJX-SFHVURJKSA-N -1 3 265.309 3.234 20 0 CGADHM O=C1NCCC[C@@H]1c1ccc(-c2ccc(F)c([O-])c2)cc1 ZINC001243052098 823228736 /nfs/dbraw/zinc/22/87/36/823228736.db2.gz XTUCNXBDFQXXEX-CQSZACIVSA-N -1 3 285.318 3.192 20 0 CGADHM CC1(C)C(=O)Nc2cccc(-c3ccc(F)c([O-])c3)c21 ZINC001243062182 823231974 /nfs/dbraw/zinc/23/19/74/823231974.db2.gz KPEDSVFHGNGUOI-UHFFFAOYSA-N -1 3 271.291 3.428 20 0 CGADHM CC(=O)Nc1ccc(F)c(-c2ccc(F)c([O-])c2)c1 ZINC001243061136 823232082 /nfs/dbraw/zinc/23/20/82/823232082.db2.gz FHZQYHYSJAKHON-UHFFFAOYSA-N -1 3 263.243 3.296 20 0 CGADHM [O-]c1cc(-c2ccc3[nH]c(=S)[nH]c3c2)ccc1F ZINC001243063931 823232660 /nfs/dbraw/zinc/23/26/60/823232660.db2.gz XWQKWQLBOAAPIX-UHFFFAOYSA-N -1 3 260.293 3.363 20 0 CGADHM C[C@@H]1CC[C@H](C)[C@@H](Oc2ccc3c([O-])coc3c2)C1 ZINC001225341970 817017969 /nfs/dbraw/zinc/01/79/69/817017969.db2.gz GXAPZKGBZVKUCC-ZETOZRRWSA-N -1 3 260.333 3.465 20 0 CGADHM C[C@@H]1CCC[C@@H](Oc2nc(=O)[n-]cc2C(F)(F)F)C1 ZINC001225579050 817100040 /nfs/dbraw/zinc/10/00/40/817100040.db2.gz JWSPVFBGWVGOKN-HTQZYQBOSA-N -1 3 276.258 3.159 20 0 CGADHM Cc1cc(C)nc(OC(=C([O-])c2ccco2)c2ccco2)n1 ZINC001225645468 817125969 /nfs/dbraw/zinc/12/59/69/817125969.db2.gz VZIOPQARMYGFRM-OAHLLOKOSA-N -1 3 298.298 3.282 20 0 CGADHM c1c2ccccc2[nH]c1-c1cccc(-c2nnn[n-]2)c1 ZINC001243106657 823249706 /nfs/dbraw/zinc/24/97/06/823249706.db2.gz LPSUHCKBJQAUDY-UHFFFAOYSA-N -1 3 261.288 3.015 20 0 CGADHM c1c2ccccc2[nH]c1-c1cccc(-c2nn[n-]n2)c1 ZINC001243106657 823249713 /nfs/dbraw/zinc/24/97/13/823249713.db2.gz LPSUHCKBJQAUDY-UHFFFAOYSA-N -1 3 261.288 3.015 20 0 CGADHM CCCCOC[C@@H](C)Oc1[n-]c(=S)ncc1C1CC1 ZINC001226118913 817278443 /nfs/dbraw/zinc/27/84/43/817278443.db2.gz KFGBACQBGDZWCU-SNVBAGLBSA-N -1 3 282.409 3.227 20 0 CGADHM C[C@H](Oc1[n-]c(=S)ncc1C1CC1)c1ncccc1F ZINC001226119221 817278809 /nfs/dbraw/zinc/27/88/09/817278809.db2.gz LRZMWBSLHCQEPA-QMMMGPOBSA-N -1 3 291.351 3.317 20 0 CGADHM CCc1nc(O[C@H](C)c2ccc(C)cc2)cc(=O)[n-]1 ZINC001226475921 817369866 /nfs/dbraw/zinc/36/98/66/817369866.db2.gz OBYQMFQVFOKLQN-LLVKDONJSA-N -1 3 258.321 3.193 20 0 CGADHM CC(=O)c1ccc([O-])c(O[C@@H](C)c2ccccc2)c1O ZINC001226479347 817370742 /nfs/dbraw/zinc/37/07/42/817370742.db2.gz PKHFWPUQRGETAS-NSHDSACASA-N -1 3 272.300 3.440 20 0 CGADHM Cc1cc(=O)oc2cc([O-])c(O[C@@H](C)c3ccncc3)cc12 ZINC001226531482 817390043 /nfs/dbraw/zinc/39/00/43/817390043.db2.gz AVPFNOMVQJDOFU-NSHDSACASA-N -1 3 297.310 3.342 20 0 CGADHM [O-]c1cccc(OC2CN(Cc3ccccc3)C2)c1Cl ZINC001226712406 817443194 /nfs/dbraw/zinc/44/31/94/817443194.db2.gz RJSKZCKXOPJZHF-UHFFFAOYSA-N -1 3 289.762 3.309 20 0 CGADHM Cc1cc(O[C@H]2CCc3c2nccc3Cl)[n-]c(=S)n1 ZINC001226799685 817468953 /nfs/dbraw/zinc/46/89/53/817468953.db2.gz YNQIHRYYWLRKID-JTQLQIEISA-N -1 3 293.779 3.188 20 0 CGADHM C[C@H](Oc1ccnc(=S)[n-]1)c1cccc(F)c1F ZINC001226940377 817511161 /nfs/dbraw/zinc/51/11/61/817511161.db2.gz PXGYJLLBEDGUNH-ZETCQYMHSA-N -1 3 268.288 3.184 20 0 CGADHM Cc1ccc([C@@H](Oc2cc(=O)[n-]cn2)C(F)(F)F)cc1 ZINC001226945058 817512504 /nfs/dbraw/zinc/51/25/04/817512504.db2.gz OEUWFSOSVKAHTN-GFCCVEGCSA-N -1 3 284.237 3.173 20 0 CGADHM O=c1cc(O[C@H]2Cc3cccc4cccc2c34)nc[n-]1 ZINC001226946907 817513115 /nfs/dbraw/zinc/51/31/15/817513115.db2.gz MANBWEQKZABTJJ-ZDUSSCGKSA-N -1 3 264.284 3.012 20 0 CGADHM O=c1cc(OC(c2ccccc2)c2ccccc2)nc[n-]1 ZINC001226947740 817513861 /nfs/dbraw/zinc/51/38/61/817513861.db2.gz UQJPOENSDHWPBG-UHFFFAOYSA-N -1 3 278.311 3.351 20 0 CGADHM Cc1ccc([C@@H](Oc2cnc[n-]c2=O)C(F)(F)F)cc1 ZINC001227048241 817543262 /nfs/dbraw/zinc/54/32/62/817543262.db2.gz AYTUXIJLDAMIRC-LLVKDONJSA-N -1 3 284.237 3.173 20 0 CGADHM C[C@H](Oc1cnc[n-]c1=O)c1c(Cl)cncc1Cl ZINC001227050960 817544290 /nfs/dbraw/zinc/54/42/90/817544290.db2.gz DWYMIZUHSYJGJQ-LURJTMIESA-N -1 3 286.118 3.024 20 0 CGADHM Cc1cc(C(=O)[O-])cc(-c2ccc(CN(C)C3CC3)cn2)c1 ZINC001243179440 823275842 /nfs/dbraw/zinc/27/58/42/823275842.db2.gz VDKHHMMUUWIKMS-UHFFFAOYSA-N -1 3 296.370 3.349 20 0 CGADHM CCCc1cc(O[C@@H](C)c2ccncc2F)[n-]c(=S)n1 ZINC001227423430 817646232 /nfs/dbraw/zinc/64/62/32/817646232.db2.gz ZFBNAIOWYVOFCB-VIFPVBQESA-N -1 3 293.367 3.392 20 0 CGADHM CC1(C)C[C@@H](Oc2cc(=O)cc(C(F)(F)F)[n-]2)CCO1 ZINC001227582821 817675903 /nfs/dbraw/zinc/67/59/03/817675903.db2.gz FYRNBROUJCRSTH-VIFPVBQESA-N -1 3 291.269 3.142 20 0 CGADHM CC(=O)[C@@H](Oc1ncc(Cl)cc1[O-])c1ccccc1 ZINC001227979310 817770677 /nfs/dbraw/zinc/77/06/77/817770677.db2.gz BTPZAOWWCHRWHK-CYBMUJFWSA-N -1 3 277.707 3.150 20 0 CGADHM [O-]c1cc(Cl)cnc1O[C@H](c1cccnc1)C1CC1 ZINC001227982657 817773292 /nfs/dbraw/zinc/77/32/92/817773292.db2.gz GMHUCWKDHIALCR-ZDUSSCGKSA-N -1 3 276.723 3.366 20 0 CGADHM C[C@H](Oc1[n-]c(=O)nc2cccnc21)c1cccc(F)c1 ZINC001228006696 817781709 /nfs/dbraw/zinc/78/17/09/817781709.db2.gz FSEJJKYHFZNHSR-VIFPVBQESA-N -1 3 285.278 3.010 20 0 CGADHM C[C@H](Oc1[n-]c(=O)nc2cccnc21)c1ccccc1F ZINC001228006700 817782206 /nfs/dbraw/zinc/78/22/06/817782206.db2.gz FTPMEWOKBPHISB-VIFPVBQESA-N -1 3 285.278 3.010 20 0 CGADHM CCCc1c([O-])ccc(C(C)=O)c1O[C@H]1CCCN(C)C1 ZINC001228134402 817819862 /nfs/dbraw/zinc/81/98/62/817819862.db2.gz POAQXHXQMSCKEI-ZDUSSCGKSA-N -1 3 291.391 3.020 20 0 CGADHM CCCOc1ccc(-c2ccccc2-c2nnn[n-]2)cc1F ZINC001243219558 823298186 /nfs/dbraw/zinc/29/81/86/823298186.db2.gz RFDJIBYEICHAMP-UHFFFAOYSA-N -1 3 298.321 3.462 20 0 CGADHM CCCOc1ccc(-c2ccccc2-c2nn[n-]n2)cc1F ZINC001243219558 823298187 /nfs/dbraw/zinc/29/81/87/823298187.db2.gz RFDJIBYEICHAMP-UHFFFAOYSA-N -1 3 298.321 3.462 20 0 CGADHM COc1ccc(-c2ccc(C(=O)[O-])c(C)c2)cc1CN(C)C ZINC001243215482 823296139 /nfs/dbraw/zinc/29/61/39/823296139.db2.gz REKBXBWIBZAIME-UHFFFAOYSA-N -1 3 299.370 3.430 20 0 CGADHM CCC[C@H](Oc1nnc(-c2cccnc2)[n-]1)C(C)(C)C ZINC001228698333 817977755 /nfs/dbraw/zinc/97/77/55/817977755.db2.gz PECMRGSYAMSGPT-LBPRGKRZSA-N -1 3 274.368 3.460 20 0 CGADHM CCC[C@H](Oc1nc(-c2cccnc2)n[n-]1)C(C)(C)C ZINC001228698333 817977759 /nfs/dbraw/zinc/97/77/59/817977759.db2.gz PECMRGSYAMSGPT-LBPRGKRZSA-N -1 3 274.368 3.460 20 0 CGADHM CCC[C@H](Oc1n[n-]c(-c2cccnc2)n1)C(C)(C)C ZINC001228698333 817977763 /nfs/dbraw/zinc/97/77/63/817977763.db2.gz PECMRGSYAMSGPT-LBPRGKRZSA-N -1 3 274.368 3.460 20 0 CGADHM CC[C@H](C)CC[C@H](C)Oc1nnc(-c2cccnc2)[n-]1 ZINC001228698835 817978693 /nfs/dbraw/zinc/97/86/93/817978693.db2.gz ULKHVHDTFWEJIB-RYUDHWBXSA-N -1 3 274.368 3.460 20 0 CGADHM CC[C@H](C)CC[C@H](C)Oc1nc(-c2cccnc2)n[n-]1 ZINC001228698835 817978697 /nfs/dbraw/zinc/97/86/97/817978697.db2.gz ULKHVHDTFWEJIB-RYUDHWBXSA-N -1 3 274.368 3.460 20 0 CGADHM CC[C@H](C)CC[C@H](C)Oc1n[n-]c(-c2cccnc2)n1 ZINC001228698835 817978703 /nfs/dbraw/zinc/97/87/03/817978703.db2.gz ULKHVHDTFWEJIB-RYUDHWBXSA-N -1 3 274.368 3.460 20 0 CGADHM CCC[C@@H](C)[C@@H](CC)Oc1nnc(-c2cccnc2)[n-]1 ZINC001228699233 817978993 /nfs/dbraw/zinc/97/89/93/817978993.db2.gz XOPNLJPMJCOLEB-DGCLKSJQSA-N -1 3 274.368 3.460 20 0 CGADHM CCC[C@@H](C)[C@@H](CC)Oc1nc(-c2cccnc2)n[n-]1 ZINC001228699233 817978998 /nfs/dbraw/zinc/97/89/98/817978998.db2.gz XOPNLJPMJCOLEB-DGCLKSJQSA-N -1 3 274.368 3.460 20 0 CGADHM CCC[C@@H](C)[C@@H](CC)Oc1n[n-]c(-c2cccnc2)n1 ZINC001228699233 817979007 /nfs/dbraw/zinc/97/90/07/817979007.db2.gz XOPNLJPMJCOLEB-DGCLKSJQSA-N -1 3 274.368 3.460 20 0 CGADHM C[C@@H]1CCC[C@@H](Oc2cc3c(cc2[O-])CCC3=O)C1 ZINC001228852583 818022164 /nfs/dbraw/zinc/02/21/64/818022164.db2.gz AEUXFPIRPSOXDB-ZYHUDNBSSA-N -1 3 260.333 3.479 20 0 CGADHM Cc1ccc([C@@H](C)Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC001231117457 818034070 /nfs/dbraw/zinc/03/40/70/818034070.db2.gz BICVYPASCBTEEY-GFCCVEGCSA-N -1 3 280.331 3.315 20 0 CGADHM Cc1ccc([C@@H](C)Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC001231117457 818034073 /nfs/dbraw/zinc/03/40/73/818034073.db2.gz BICVYPASCBTEEY-GFCCVEGCSA-N -1 3 280.331 3.315 20 0 CGADHM CCC[C@@H](C)[C@@H](CC)Oc1cccc(-c2nnn[n-]2)c1 ZINC001231122580 818035411 /nfs/dbraw/zinc/03/54/11/818035411.db2.gz VCNYBEKHVDTXMA-BXUZGUMPSA-N -1 3 274.368 3.460 20 0 CGADHM CCC[C@@H](C)[C@@H](CC)Oc1cccc(-c2nn[n-]n2)c1 ZINC001231122580 818035416 /nfs/dbraw/zinc/03/54/16/818035416.db2.gz VCNYBEKHVDTXMA-BXUZGUMPSA-N -1 3 274.368 3.460 20 0 CGADHM CCCCC[C@H](C)Oc1cccc(-c2nnn[n-]2)c1 ZINC001231118819 818035523 /nfs/dbraw/zinc/03/55/23/818035523.db2.gz XBDKLGDIPNGBSZ-NSHDSACASA-N -1 3 260.341 3.214 20 0 CGADHM CCCCC[C@H](C)Oc1cccc(-c2nn[n-]n2)c1 ZINC001231118819 818035528 /nfs/dbraw/zinc/03/55/28/818035528.db2.gz XBDKLGDIPNGBSZ-NSHDSACASA-N -1 3 260.341 3.214 20 0 CGADHM CC1(C)CCC[C@@H](Oc2cccc(-c3nnn[n-]3)c2)C1 ZINC001231118505 818036353 /nfs/dbraw/zinc/03/63/53/818036353.db2.gz PWEWOXUCYGZFFD-CYBMUJFWSA-N -1 3 272.352 3.214 20 0 CGADHM CC1(C)CCC[C@@H](Oc2cccc(-c3nn[n-]n3)c2)C1 ZINC001231118505 818036360 /nfs/dbraw/zinc/03/63/60/818036360.db2.gz PWEWOXUCYGZFFD-CYBMUJFWSA-N -1 3 272.352 3.214 20 0 CGADHM C[C@H]1CC(Oc2cccc(-c3nnn[n-]3)c2)C[C@H](C)C1 ZINC001231118369 818036639 /nfs/dbraw/zinc/03/66/39/818036639.db2.gz MPWNJQSCKXWTKA-GHMZBOCLSA-N -1 3 272.352 3.070 20 0 CGADHM C[C@H]1CC(Oc2cccc(-c3nn[n-]n3)c2)C[C@H](C)C1 ZINC001231118369 818036646 /nfs/dbraw/zinc/03/66/46/818036646.db2.gz MPWNJQSCKXWTKA-GHMZBOCLSA-N -1 3 272.352 3.070 20 0 CGADHM Cc1ccc([O-])c(CN2CCCC[C@@H]2C(F)(F)F)n1 ZINC001231672009 818156251 /nfs/dbraw/zinc/15/62/51/818156251.db2.gz DRAPKOPBFQGYEW-GFCCVEGCSA-N -1 3 274.286 3.012 20 0 CGADHM [O-]c1cccc(CN2CC(c3cccnc3)C2)c1Cl ZINC001232788818 818440571 /nfs/dbraw/zinc/44/05/71/818440571.db2.gz OWTXQNOXFZCGPB-UHFFFAOYSA-N -1 3 274.751 3.040 20 0 CGADHM [O-]c1c(F)ccc(CN2CCC[C@@H]3CCC[C@@H]32)c1F ZINC001232934347 818475483 /nfs/dbraw/zinc/47/54/83/818475483.db2.gz FCJNZNSCGKLJMG-GWCFXTLKSA-N -1 3 267.319 3.435 20 0 CGADHM CN(CCc1ccc(F)cc1)Cc1ccc(F)c([O-])c1F ZINC001232935677 818477186 /nfs/dbraw/zinc/47/71/86/818477186.db2.gz VKJAVKICILDFFK-UHFFFAOYSA-N -1 3 295.304 3.484 20 0 CGADHM CN(Cc1ccccc1)Cc1cc([O-])c(F)c(F)c1 ZINC001232968622 818485699 /nfs/dbraw/zinc/48/56/99/818485699.db2.gz JTKYKPJEYJPAKO-UHFFFAOYSA-N -1 3 263.287 3.302 20 0 CGADHM C[C@@H]1CCCN(Cc2cc([O-])c(F)c(F)c2)[C@@H]1C ZINC001232971632 818488402 /nfs/dbraw/zinc/48/84/02/818488402.db2.gz OUTKIUKYIIWOLU-NXEZZACHSA-N -1 3 255.308 3.291 20 0 CGADHM [O-]c1cccc(CN2CCC(C(F)(F)F)CC2)c1F ZINC001233049672 818511508 /nfs/dbraw/zinc/51/15/08/818511508.db2.gz GYKPEVAVKZULJZ-UHFFFAOYSA-N -1 3 277.261 3.306 20 0 CGADHM Clc1cc2n[nH]cc2c(-c2ccc(-c3nnn[n-]3)cc2)c1 ZINC001243314955 823342170 /nfs/dbraw/zinc/34/21/70/823342170.db2.gz HHUUTZIOGKXJSL-UHFFFAOYSA-N -1 3 296.721 3.063 20 0 CGADHM Clc1cc2n[nH]cc2c(-c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001243314955 823342177 /nfs/dbraw/zinc/34/21/77/823342177.db2.gz HHUUTZIOGKXJSL-UHFFFAOYSA-N -1 3 296.721 3.063 20 0 CGADHM CN(C)Cc1cncc(-c2cc(Cl)cc(C(=O)[O-])c2)c1 ZINC001243326341 823348946 /nfs/dbraw/zinc/34/89/46/823348946.db2.gz PRAQNRZBBNIKMB-UHFFFAOYSA-N -1 3 290.750 3.162 20 0 CGADHM [O-]c1ccc(F)c(CN2CCC[C@@H](F)C(F)(F)C2)c1F ZINC001233393095 818609161 /nfs/dbraw/zinc/60/91/61/818609161.db2.gz AOWNZDSOJRPSJB-LLVKDONJSA-N -1 3 295.251 3.240 20 0 CGADHM CC(C)N(Cc1c(F)ccc([O-])c1F)C1CCOCC1 ZINC001233397100 818610927 /nfs/dbraw/zinc/61/09/27/818610927.db2.gz KVGITPLVGAGLSB-UHFFFAOYSA-N -1 3 285.334 3.060 20 0 CGADHM CCC(=O)[C@H](CC)Oc1cc(Cl)c([O-])cc1C ZINC001233592829 818652125 /nfs/dbraw/zinc/65/21/25/818652125.db2.gz QBFMGQOVZLNKDI-LBPRGKRZSA-N -1 3 256.729 3.491 20 0 CGADHM C[C@@H]1CC[C@H](Oc2ccc3occ([O-])c3c2)C[C@H]1C ZINC001233677695 818677393 /nfs/dbraw/zinc/67/73/93/818677393.db2.gz NBBAYTGRZNMMHA-UTUOFQBUSA-N -1 3 260.333 3.465 20 0 CGADHM C[C@H]1CC(Oc2ccc3occ([O-])c3c2)C[C@H](C)C1 ZINC001233677064 818677422 /nfs/dbraw/zinc/67/74/22/818677422.db2.gz DWFOEVBKAMVSQG-GHMZBOCLSA-N -1 3 260.333 3.465 20 0 CGADHM C[C@@H]1CC[C@H](C)[C@H](Oc2ccc3occ([O-])c3c2)C1 ZINC001233676981 818677556 /nfs/dbraw/zinc/67/75/56/818677556.db2.gz BXOLUQDJTBVOFH-OHUAYANFSA-N -1 3 260.333 3.465 20 0 CGADHM CO[C@@H](COc1ccc2occ([O-])c2c1)c1ccccc1 ZINC001233678602 818678647 /nfs/dbraw/zinc/67/86/47/818678647.db2.gz VVMGHBYGSWKBGW-KRWDZBQOSA-N -1 3 284.311 3.028 20 0 CGADHM Cc1ccccc1OC[C@H](C)Oc1ccc2occ([O-])c2c1 ZINC001233680526 818678906 /nfs/dbraw/zinc/67/89/06/818678906.db2.gz KCZKIYCDOBZDKO-ZDUSSCGKSA-N -1 3 298.338 3.416 20 0 CGADHM CCOC(=O)[C@H]1CC[C@H](Oc2cccc([O-])c2F)CC1 ZINC001233872591 818722170 /nfs/dbraw/zinc/72/21/70/818722170.db2.gz VUSOKTUERDISTA-XYPYZODXSA-N -1 3 282.311 3.032 20 0 CGADHM Cn1c(-c2ccccc2-c2nnn[n-]2)cc2ccccc21 ZINC001243353748 823362669 /nfs/dbraw/zinc/36/26/69/823362669.db2.gz ZDQVPVYFNWWTGC-UHFFFAOYSA-N -1 3 275.315 3.025 20 0 CGADHM Cn1c(-c2ccccc2-c2nn[n-]n2)cc2ccccc21 ZINC001243353748 823362676 /nfs/dbraw/zinc/36/26/76/823362676.db2.gz ZDQVPVYFNWWTGC-UHFFFAOYSA-N -1 3 275.315 3.025 20 0 CGADHM CCCC[C@@H](CCC)Oc1cccc([O-])c1C(N)=O ZINC001234148205 818792742 /nfs/dbraw/zinc/79/27/42/818792742.db2.gz DKUZXLPQYGRJPW-LLVKDONJSA-N -1 3 265.353 3.229 20 0 CGADHM FC(F)Oc1cccc(-c2ccccc2-c2nnn[n-]2)c1 ZINC001243357317 823365394 /nfs/dbraw/zinc/36/53/94/823365394.db2.gz KGDLTHZROKDQDR-UHFFFAOYSA-N -1 3 288.257 3.135 20 0 CGADHM FC(F)Oc1cccc(-c2ccccc2-c2nn[n-]n2)c1 ZINC001243357317 823365402 /nfs/dbraw/zinc/36/54/02/823365402.db2.gz KGDLTHZROKDQDR-UHFFFAOYSA-N -1 3 288.257 3.135 20 0 CGADHM Clc1cc(-c2cccc(-c3nnn[n-]3)c2)cc(Cl)n1 ZINC001243369642 823374172 /nfs/dbraw/zinc/37/41/72/823374172.db2.gz WTJAPLWFSNCHHU-UHFFFAOYSA-N -1 3 292.129 3.236 20 0 CGADHM Clc1cc(-c2cccc(-c3nn[n-]n3)c2)cc(Cl)n1 ZINC001243369642 823374179 /nfs/dbraw/zinc/37/41/79/823374179.db2.gz WTJAPLWFSNCHHU-UHFFFAOYSA-N -1 3 292.129 3.236 20 0 CGADHM CCC[C@@H](C)Oc1nc[n-]c(=O)c1-c1ccccc1 ZINC001234689264 818916096 /nfs/dbraw/zinc/91/60/96/818916096.db2.gz PNDRTSKESKCLNV-LLVKDONJSA-N -1 3 258.321 3.417 20 0 CGADHM CSc1cc(C)ccc1-c1ccc(Cc2nnn[n-]2)cc1 ZINC001243385114 823384100 /nfs/dbraw/zinc/38/41/00/823384100.db2.gz PSQPPRZTZTYOLE-UHFFFAOYSA-N -1 3 296.399 3.488 20 0 CGADHM CSc1cc(C)ccc1-c1ccc(Cc2nn[n-]n2)cc1 ZINC001243385114 823384106 /nfs/dbraw/zinc/38/41/06/823384106.db2.gz PSQPPRZTZTYOLE-UHFFFAOYSA-N -1 3 296.399 3.488 20 0 CGADHM COc1cnc2c(c1)ncnc2-c1cc([O-])cc(Cl)c1 ZINC001235898467 819207510 /nfs/dbraw/zinc/20/75/10/819207510.db2.gz ICVPWFVVLFOLHT-UHFFFAOYSA-N -1 3 287.706 3.059 20 0 CGADHM CCCOc1ccnc(-c2cc([O-])cc(Cl)c2)n1 ZINC001235898746 819208020 /nfs/dbraw/zinc/20/80/20/819208020.db2.gz CHIFHMXCVLBKLV-UHFFFAOYSA-N -1 3 264.712 3.291 20 0 CGADHM Cc1cc2ncnc(-c3cc([O-])cc(Cl)c3)c2[nH]1 ZINC001235898857 819209255 /nfs/dbraw/zinc/20/92/55/819209255.db2.gz MYHHDIIFRCRKSK-UHFFFAOYSA-N -1 3 259.696 3.292 20 0 CGADHM CCCNC(=O)c1ccc(-c2cc([O-])cc(Cl)c2)nc1 ZINC001235900139 819210423 /nfs/dbraw/zinc/21/04/23/819210423.db2.gz LECNQGATWLAFNY-UHFFFAOYSA-N -1 3 290.750 3.247 20 0 CGADHM O=c1c(-c2cc([O-])cc(Cl)c2)ccnn1-c1ccccc1 ZINC001235909667 819218674 /nfs/dbraw/zinc/21/86/74/819218674.db2.gz RCBPBIKBHJJJRO-UHFFFAOYSA-N -1 3 298.729 3.259 20 0 CGADHM Cc1c(N)ccnc1-c1ccc(C(=O)[O-])c(C)c1Cl ZINC001236113687 819326716 /nfs/dbraw/zinc/32/67/16/819326716.db2.gz KZTSMVAKBDPGCU-UHFFFAOYSA-N -1 3 276.723 3.299 20 0 CGADHM CCOC(=O)c1ncccc1-c1c(F)ccc(C)c1[O-] ZINC001236414888 819459984 /nfs/dbraw/zinc/45/99/84/819459984.db2.gz MPYRRGCEEGRHTQ-UHFFFAOYSA-N -1 3 275.279 3.078 20 0 CGADHM COc1ccc(-c2cccn(C3CCC3)c2=O)c2cn[n-]c21 ZINC001236476218 819493872 /nfs/dbraw/zinc/49/38/72/819493872.db2.gz MHIWFEKXAAOENV-UHFFFAOYSA-N -1 3 295.342 3.125 20 0 CGADHM CN(CCC(=O)c1cccs1)Cc1ccc(F)c([O-])c1 ZINC001236708160 819578233 /nfs/dbraw/zinc/57/82/33/819578233.db2.gz OAMFKJPOKFIUFG-UHFFFAOYSA-N -1 3 293.363 3.298 20 0 CGADHM COc1cccc(CN(C)Cc2sc(=O)[n-]c2Cl)c1 ZINC001237151541 819680147 /nfs/dbraw/zinc/68/01/47/819680147.db2.gz WPUIDELDIPHDQJ-UHFFFAOYSA-N -1 3 298.795 3.143 20 0 CGADHM Cc1cc(-c2cc(F)cc(F)c2[O-])cn2ccnc12 ZINC001243506070 823424256 /nfs/dbraw/zinc/42/42/56/823424256.db2.gz WOFOHRWDQIPTOX-UHFFFAOYSA-N -1 3 260.243 3.294 20 0 CGADHM CC(=O)c1ccc2c(c1)CN(Cc1occc1[S-])CC2 ZINC001237183503 819688825 /nfs/dbraw/zinc/68/88/25/819688825.db2.gz JQHWWDZLISVKCZ-UHFFFAOYSA-N -1 3 287.384 3.329 20 0 CGADHM [S-]c1ccoc1CN1CCO[C@@H](Cc2ccccc2)C1 ZINC001237184695 819689672 /nfs/dbraw/zinc/68/96/72/819689672.db2.gz OILFVZHUZUGXPV-AWEZNQCLSA-N -1 3 289.400 3.012 20 0 CGADHM Fc1cc2c(cc1F)CN(Cc1occc1[S-])CC2 ZINC001237187725 819692774 /nfs/dbraw/zinc/69/27/74/819692774.db2.gz QAHMQMZZGYXZEN-UHFFFAOYSA-N -1 3 281.327 3.405 20 0 CGADHM [O-]c1cc(F)c(CN2CCNC3=CCCC[C@H]32)cc1Cl ZINC001237230734 819706673 /nfs/dbraw/zinc/70/66/73/819706673.db2.gz UVNZKTPOJBEEIR-CQSZACIVSA-N -1 3 296.773 3.026 20 0 CGADHM CC1(C)Cc2cccc(-c3cccc([O-])c3F)c2C(=O)N1 ZINC001243548411 823440329 /nfs/dbraw/zinc/44/03/29/823440329.db2.gz CTNXDACVBOPVHJ-UHFFFAOYSA-N -1 3 285.318 3.263 20 0 CGADHM COc1cccc2c1ncnc2-c1cccc([O-])c1F ZINC001243544756 823437332 /nfs/dbraw/zinc/43/73/32/823437332.db2.gz WSFZDDXKZOWXJB-UHFFFAOYSA-N -1 3 270.263 3.150 20 0 CGADHM O=C1Nc2cccc(-c3cccc([O-])c3F)c2C12CC2 ZINC001243545930 823437935 /nfs/dbraw/zinc/43/79/35/823437935.db2.gz RJORAIZEBSRGBH-UHFFFAOYSA-N -1 3 269.275 3.182 20 0 CGADHM COc1nc(-c2cccc([O-])c2F)ccc1-n1cnc(C)c1 ZINC001243545198 823438298 /nfs/dbraw/zinc/43/82/98/823438298.db2.gz XIQAZWPKZXITTN-UHFFFAOYSA-N -1 3 299.305 3.096 20 0 CGADHM [O-]c1cccc(-c2ccccc2Cn2ccnc2)c1F ZINC001243547200 823439655 /nfs/dbraw/zinc/43/96/55/823439655.db2.gz MPHPUJLLROWQBS-UHFFFAOYSA-N -1 3 268.291 3.443 20 0 CGADHM Cc1nc2c(-c3ccc(C(F)(F)F)cc3[O-])cccn2n1 ZINC001243605499 823464419 /nfs/dbraw/zinc/46/44/19/823464419.db2.gz HEYZSBAOPNZKOB-UHFFFAOYSA-N -1 3 293.248 3.429 20 0 CGADHM Cc1cccc(C)c1-c1cccc(-c2nnn[n-]2)c1 ZINC001239598177 820445196 /nfs/dbraw/zinc/44/51/96/820445196.db2.gz REESVNUCRIBYKU-UHFFFAOYSA-N -1 3 250.305 3.151 20 0 CGADHM Cc1cccc(C)c1-c1cccc(-c2nn[n-]n2)c1 ZINC001239598177 820445204 /nfs/dbraw/zinc/44/52/04/820445204.db2.gz REESVNUCRIBYKU-UHFFFAOYSA-N -1 3 250.305 3.151 20 0 CGADHM CN1CCN(c2cccc(-c3ccc([S-])cc3)c2)CC1 ZINC001243668502 823480872 /nfs/dbraw/zinc/48/08/72/823480872.db2.gz HHXQZWCVWFRODJ-UHFFFAOYSA-N -1 3 284.428 3.394 20 0 CGADHM CCc1ccccc1-c1ccc(-c2nnn[n-]2)cc1 ZINC001239743247 820565885 /nfs/dbraw/zinc/56/58/85/820565885.db2.gz DKYVARARPUYNMV-UHFFFAOYSA-N -1 3 250.305 3.096 20 0 CGADHM CCc1ccccc1-c1ccc(-c2nn[n-]n2)cc1 ZINC001239743247 820565890 /nfs/dbraw/zinc/56/58/90/820565890.db2.gz DKYVARARPUYNMV-UHFFFAOYSA-N -1 3 250.305 3.096 20 0 CGADHM CCCOc1ccc(-c2ccc(=S)[n-]n2)c(F)c1F ZINC001239963541 820742546 /nfs/dbraw/zinc/74/25/46/820742546.db2.gz HVRXRNSQLDMZIR-UHFFFAOYSA-N -1 3 282.315 3.499 20 0 CGADHM c1nc2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc2s1 ZINC001240345666 820982141 /nfs/dbraw/zinc/98/21/41/820982141.db2.gz YWHQJMWKLXACMP-UHFFFAOYSA-N -1 3 279.328 3.143 20 0 CGADHM c1nc2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc2s1 ZINC001240345666 820982145 /nfs/dbraw/zinc/98/21/45/820982145.db2.gz YWHQJMWKLXACMP-UHFFFAOYSA-N -1 3 279.328 3.143 20 0 CGADHM Fc1cc(-c2ccc3occc3c2)ccc1-c1nnn[n-]1 ZINC001240426177 821047076 /nfs/dbraw/zinc/04/70/76/821047076.db2.gz YJDFTBKVSQVUNP-UHFFFAOYSA-N -1 3 280.262 3.419 20 0 CGADHM Fc1cc(-c2ccc3occc3c2)ccc1-c1nn[n-]n1 ZINC001240426177 821047084 /nfs/dbraw/zinc/04/70/84/821047084.db2.gz YJDFTBKVSQVUNP-UHFFFAOYSA-N -1 3 280.262 3.419 20 0 CGADHM Cc1sccc1-c1ccc(C)c(-c2nnn[n-]2)c1 ZINC001240501493 821097776 /nfs/dbraw/zinc/09/77/76/821097776.db2.gz BYGVXPZLIVVLFL-UHFFFAOYSA-N -1 3 256.334 3.212 20 0 CGADHM Cc1sccc1-c1ccc(C)c(-c2nn[n-]n2)c1 ZINC001240501493 821097787 /nfs/dbraw/zinc/09/77/87/821097787.db2.gz BYGVXPZLIVVLFL-UHFFFAOYSA-N -1 3 256.334 3.212 20 0 CGADHM [O-]c1ccc(-c2ccc(-n3cccc3)cn2)cc1F ZINC001240782968 821320664 /nfs/dbraw/zinc/32/06/64/821320664.db2.gz LZORRFZDOLCVKG-UHFFFAOYSA-N -1 3 254.264 3.384 20 0 CGADHM COC(=O)c1nc2c(cccc2-c2ccc([O-])c(F)c2)o1 ZINC001240786537 821326203 /nfs/dbraw/zinc/32/62/03/821326203.db2.gz MBTDLDQOKQMCPR-UHFFFAOYSA-N -1 3 287.246 3.126 20 0 CGADHM [O-]c1ccc(-c2ccc3nnc(C(F)(F)F)n3c2)cc1F ZINC001240786180 821327119 /nfs/dbraw/zinc/32/71/19/821327119.db2.gz ABOLNZRKTJSNAS-UHFFFAOYSA-N -1 3 297.211 3.260 20 0 CGADHM COC(=O)CCc1cccc(-c2ccc([O-])c(F)c2)c1 ZINC001240786861 821328001 /nfs/dbraw/zinc/32/80/01/821328001.db2.gz YTQKRZYOACFRTJ-UHFFFAOYSA-N -1 3 274.291 3.304 20 0 CGADHM Nc1ccc2cc(-c3ccc([O-])c(F)c3)ccc2n1 ZINC001240787646 821329102 /nfs/dbraw/zinc/32/91/02/821329102.db2.gz MSLYWVXYNQFKAE-UHFFFAOYSA-N -1 3 254.264 3.329 20 0 CGADHM COC(=O)c1cc(F)c(F)c(-c2ccc([O-])c(F)c2)c1 ZINC001240787376 821329988 /nfs/dbraw/zinc/32/99/88/821329988.db2.gz AVCYIXSVFDFCNV-UHFFFAOYSA-N -1 3 282.217 3.263 20 0 CGADHM [O-]c1ccc(-c2ccc3ncnn3c2C(F)(F)F)cc1F ZINC001240789064 821330964 /nfs/dbraw/zinc/33/09/64/821330964.db2.gz SODBVTVJTUBPQA-UHFFFAOYSA-N -1 3 297.211 3.260 20 0 CGADHM [O-]c1ccc(-c2ccc3c(c2)C2(CC3)OCCO2)cc1F ZINC001240788171 821331010 /nfs/dbraw/zinc/33/10/10/821331010.db2.gz CUHLPANQSGSUJK-UHFFFAOYSA-N -1 3 286.302 3.344 20 0 CGADHM O=c1cc(-c2ccc([O-])c(F)c2)ccn1Cc1ccccc1 ZINC001240791227 821335028 /nfs/dbraw/zinc/33/50/28/821335028.db2.gz VQOFOSUYQKWXSY-UHFFFAOYSA-N -1 3 295.313 3.408 20 0 CGADHM Cc1ccc(-c2cccc3cccnc32)cc1-c1nnn[n-]1 ZINC001240894730 821398513 /nfs/dbraw/zinc/39/85/13/821398513.db2.gz CDMZYKSNRLUTJM-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM Cc1ccc(-c2cccc3cccnc32)cc1-c1nn[n-]n1 ZINC001240894730 821398521 /nfs/dbraw/zinc/39/85/21/821398521.db2.gz CDMZYKSNRLUTJM-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM Cc1ccc(C(=O)[O-])cc1-c1ccc(CN(C)C2CC2)cn1 ZINC001241000285 821478581 /nfs/dbraw/zinc/47/85/81/821478581.db2.gz LOSMEIUQMXSRKX-UHFFFAOYSA-N -1 3 296.370 3.349 20 0 CGADHM CC(=O)Nc1nc2ccc(-c3ccccc3[O-])nc2s1 ZINC001241013781 821489890 /nfs/dbraw/zinc/48/98/90/821489890.db2.gz LUWPVBMYYVHZHS-UHFFFAOYSA-N -1 3 285.328 3.022 20 0 CGADHM CCOC(=O)c1c(C)ccnc1-c1ccc(C)cc1[O-] ZINC001241036010 821511454 /nfs/dbraw/zinc/51/14/54/821511454.db2.gz LGWQNHNNIZZOGY-UHFFFAOYSA-N -1 3 271.316 3.248 20 0 CGADHM CCOC(=O)c1cc(C)cc(-c2cc([O-])cc(F)c2)n1 ZINC001241256992 821677340 /nfs/dbraw/zinc/67/73/40/821677340.db2.gz DQDSLPRHYZGPIO-UHFFFAOYSA-N -1 3 275.279 3.078 20 0 CGADHM CC1(C)CC(=O)Nc2nc(-c3cc([O-])cc(F)c3)ccc21 ZINC001241261364 821681443 /nfs/dbraw/zinc/68/14/43/821681443.db2.gz LLWGRJMVJGSLLD-UHFFFAOYSA-N -1 3 286.306 3.213 20 0 CGADHM CCOC(=O)c1cccc(-c2cc([O-])cc(F)c2)c1 ZINC001241271343 821689569 /nfs/dbraw/zinc/68/95/69/821689569.db2.gz CTWOCWKYXBDETJ-UHFFFAOYSA-N -1 3 260.264 3.375 20 0 CGADHM CC1(c2cccc(-c3cc([O-])cc(F)c3)c2)OCCO1 ZINC001241271646 821690323 /nfs/dbraw/zinc/69/03/23/821690323.db2.gz RHDJOTXESJJKFO-UHFFFAOYSA-N -1 3 274.291 3.418 20 0 CGADHM O=C1CCCN1c1ccc(-c2cc([O-])cc(F)c2)cc1 ZINC001241272553 821691307 /nfs/dbraw/zinc/69/13/07/821691307.db2.gz SQIMWRDCUMTZDF-UHFFFAOYSA-N -1 3 271.291 3.325 20 0 CGADHM COc1cc(OC)c(-c2cc([O-])cc(F)c2)cc1OC ZINC001241276678 821695797 /nfs/dbraw/zinc/69/57/97/821695797.db2.gz ATNAJPDCJAQXAS-UHFFFAOYSA-N -1 3 278.279 3.224 20 0 CGADHM [O-]c1cc(F)cc(-c2ccc(OC3CCOCC3)nc2)c1 ZINC001241280646 821700213 /nfs/dbraw/zinc/70/02/13/821700213.db2.gz QDRHIFAHXAVZHP-UHFFFAOYSA-N -1 3 289.306 3.151 20 0 CGADHM COc1ccc2nccc(-c3c(F)ccc([O-])c3F)c2n1 ZINC001241292488 821709161 /nfs/dbraw/zinc/70/91/61/821709161.db2.gz BVKZBAIQZOIEJO-UHFFFAOYSA-N -1 3 288.253 3.289 20 0 CGADHM O=C1CCc2cc(-c3c(F)ccc([O-])c3F)ccc2N1 ZINC001241292688 821709414 /nfs/dbraw/zinc/70/94/14/821709414.db2.gz HRLTYMFRPBELBY-UHFFFAOYSA-N -1 3 275.254 3.222 20 0 CGADHM [O-]c1ccc(F)c(-c2cccc(C3OCCO3)c2)c1F ZINC001241292758 821709425 /nfs/dbraw/zinc/70/94/25/821709425.db2.gz JZKCVEPSYUJJIR-UHFFFAOYSA-N -1 3 278.254 3.383 20 0 CGADHM Cn1c(=O)ccc2cc(-c3c(F)ccc([O-])c3F)ccc21 ZINC001241293650 821713130 /nfs/dbraw/zinc/71/31/30/821713130.db2.gz YFWNNTDEOTXLCY-UHFFFAOYSA-N -1 3 287.265 3.189 20 0 CGADHM CCSc1ccnc(-c2ccc(-c3nnn[n-]3)cc2)c1 ZINC001241442940 821836890 /nfs/dbraw/zinc/83/68/90/821836890.db2.gz KOKGSZKXABVIIQ-UHFFFAOYSA-N -1 3 283.360 3.041 20 0 CGADHM CCSc1ccnc(-c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001241442940 821836896 /nfs/dbraw/zinc/83/68/96/821836896.db2.gz KOKGSZKXABVIIQ-UHFFFAOYSA-N -1 3 283.360 3.041 20 0 CGADHM c1ccc2c(c1)ccnc2-c1ccc(-c2nnn[n-]2)cc1 ZINC001241441421 821836985 /nfs/dbraw/zinc/83/69/85/821836985.db2.gz ULAWJQMSVZKDPN-UHFFFAOYSA-N -1 3 273.299 3.082 20 0 CGADHM c1ccc2c(c1)ccnc2-c1ccc(-c2nn[n-]n2)cc1 ZINC001241441421 821836995 /nfs/dbraw/zinc/83/69/95/821836995.db2.gz ULAWJQMSVZKDPN-UHFFFAOYSA-N -1 3 273.299 3.082 20 0 CGADHM Fc1ccc2nccc(-c3ccc(-c4nnn[n-]4)cc3)c2c1 ZINC001241444421 821838151 /nfs/dbraw/zinc/83/81/51/821838151.db2.gz AZSMXEKVYNNGTK-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Fc1ccc2nccc(-c3ccc(-c4nn[n-]n4)cc3)c2c1 ZINC001241444421 821838156 /nfs/dbraw/zinc/83/81/56/821838156.db2.gz AZSMXEKVYNNGTK-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM c1nsc2cc(-c3ccc(-c4nnn[n-]4)cc3)ccc12 ZINC001241444890 821841264 /nfs/dbraw/zinc/84/12/64/821841264.db2.gz IQSFDSGBSYQLTJ-UHFFFAOYSA-N -1 3 279.328 3.143 20 0 CGADHM c1nsc2cc(-c3ccc(-c4nn[n-]n4)cc3)ccc12 ZINC001241444890 821841271 /nfs/dbraw/zinc/84/12/71/821841271.db2.gz IQSFDSGBSYQLTJ-UHFFFAOYSA-N -1 3 279.328 3.143 20 0 CGADHM Cc1ncc2ccccc2c1-c1ccc(-c2nnn[n-]2)cc1 ZINC001241446669 821842561 /nfs/dbraw/zinc/84/25/61/821842561.db2.gz MGEMUHMHJPVJTN-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM Cc1ncc2ccccc2c1-c1ccc(-c2nn[n-]n2)cc1 ZINC001241446669 821842568 /nfs/dbraw/zinc/84/25/68/821842568.db2.gz MGEMUHMHJPVJTN-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM CO[C@H](C)c1cccc(-c2ccccc2-c2nnn[n-]2)c1 ZINC001242023363 822285835 /nfs/dbraw/zinc/28/58/35/822285835.db2.gz GJOKLSFBDNZMRB-LLVKDONJSA-N -1 3 280.331 3.241 20 0 CGADHM CO[C@H](C)c1cccc(-c2ccccc2-c2nn[n-]n2)c1 ZINC001242023363 822285838 /nfs/dbraw/zinc/28/58/38/822285838.db2.gz GJOKLSFBDNZMRB-LLVKDONJSA-N -1 3 280.331 3.241 20 0 CGADHM [O-]c1ccc(-c2cccc3ncnn32)cc1C(F)(F)F ZINC001242157753 822898846 /nfs/dbraw/zinc/89/88/46/822898846.db2.gz MFYOMWNUWALRNT-UHFFFAOYSA-N -1 3 279.221 3.121 20 0 CGADHM CCOc1ncc(-c2ccc([O-])c(C(F)(F)F)c2)cn1 ZINC001242157492 822899074 /nfs/dbraw/zinc/89/90/74/822899074.db2.gz HFSCZOUMTLAWOT-UHFFFAOYSA-N -1 3 284.237 3.267 20 0 CGADHM COCc1cc(OC)ccc1-c1ccc(F)cc1[O-] ZINC001242219527 822916348 /nfs/dbraw/zinc/91/63/48/822916348.db2.gz JQAZWTSBCPKOAO-UHFFFAOYSA-N -1 3 262.280 3.353 20 0 CGADHM Cc1cccc(-c2cc(F)cc(-c3nnn[n-]3)c2)c1F ZINC001242238800 822922379 /nfs/dbraw/zinc/92/23/79/822922379.db2.gz LUCCOWGDONLRCF-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM Cc1cccc(-c2cc(F)cc(-c3nn[n-]n3)c2)c1F ZINC001242238800 822922380 /nfs/dbraw/zinc/92/23/80/822922380.db2.gz LUCCOWGDONLRCF-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM Cc1c(F)c(F)ccc1-c1cc(-c2nnn[n-]2)ccc1F ZINC001242307065 822946387 /nfs/dbraw/zinc/94/63/87/822946387.db2.gz CEHKGPYVQIRTRB-UHFFFAOYSA-N -1 3 290.248 3.259 20 0 CGADHM Cc1c(F)c(F)ccc1-c1cc(-c2nn[n-]n2)ccc1F ZINC001242307065 822946388 /nfs/dbraw/zinc/94/63/88/822946388.db2.gz CEHKGPYVQIRTRB-UHFFFAOYSA-N -1 3 290.248 3.259 20 0 CGADHM COC(=O)c1cc2[nH]ccc2cc1-c1cccc(F)c1[O-] ZINC001242351731 822961723 /nfs/dbraw/zinc/96/17/23/822961723.db2.gz QJWHMCRXKSWVLY-UHFFFAOYSA-N -1 3 285.274 3.466 20 0 CGADHM O=c1ccc(-c2cccc(F)c2[O-])cn1CC1CCC1 ZINC001242353258 822962366 /nfs/dbraw/zinc/96/23/66/822962366.db2.gz XQMLNDCAYWMLIE-UHFFFAOYSA-N -1 3 273.307 3.160 20 0 CGADHM O=C1CC[C@H](c2ccc(-c3cccc(F)c3[O-])cc2)N1 ZINC001242352688 822962675 /nfs/dbraw/zinc/96/26/75/822962675.db2.gz BXSWEKSTMNQIQO-CQSZACIVSA-N -1 3 271.291 3.149 20 0 CGADHM CN(C)Cc1ccnc(-c2cccc(Cl)c2[O-])c1 ZINC001242366054 822968835 /nfs/dbraw/zinc/96/88/35/822968835.db2.gz XLKDWYFRWLCJBP-UHFFFAOYSA-N -1 3 262.740 3.169 20 0 CGADHM O=C([O-])c1cccc(-c2c[nH]cc3ccnc2-3)c1F ZINC001242378996 822973809 /nfs/dbraw/zinc/97/38/09/822973809.db2.gz BSVKIWVULMGHPD-UHFFFAOYSA-N -1 3 256.236 3.067 20 0 CGADHM C[C@H](CCC[C@@H](C)C(=O)[O-])NCc1nc2c(s1)CCC2 ZINC001339010405 936344560 /nfs/dbraw/zinc/34/45/60/936344560.db2.gz JOPIWZBVVGTRMO-GHMZBOCLSA-N -1 3 296.436 3.001 20 0 CGADHM C[C@H](CCC[C@H](C)NCc1nc2c(s1)CCC2)C(=O)[O-] ZINC001339010407 936344682 /nfs/dbraw/zinc/34/46/82/936344682.db2.gz JOPIWZBVVGTRMO-MNOVXSKESA-N -1 3 296.436 3.001 20 0 CGADHM C[C@@]1(COC(=O)c2cccc3[n-]c(C(F)F)nc32)C[C@H]1F ZINC001343760957 936513095 /nfs/dbraw/zinc/51/30/95/936513095.db2.gz JVVLWRLNVFUGKA-OTYXRUKQSA-N -1 3 298.264 3.405 20 0 CGADHM C[C@]1(COC(=O)c2cccc3[n-]c(C(F)F)nc32)C[C@H]1F ZINC001343760966 936513231 /nfs/dbraw/zinc/51/32/31/936513231.db2.gz JVVLWRLNVFUGKA-YMTOWFKASA-N -1 3 298.264 3.405 20 0 CGADHM Cc1cnc2ccccc2c1N1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC001345458019 936811936 /nfs/dbraw/zinc/81/19/36/936811936.db2.gz CJGOKUUBEPQZIA-WCQYABFASA-N -1 3 284.359 3.090 20 0 CGADHM Cc1cc(=O)[n-]c(N[C@H](C)c2ccc(C(F)(F)F)nc2)n1 ZINC001348290992 936916270 /nfs/dbraw/zinc/91/62/70/936916270.db2.gz AZKAXGQGBBQZLX-MRVPVSSYSA-N -1 3 298.268 3.078 20 0 CGADHM CCOc1ncccc1CN[C@@H](C)c1cccc([O-])c1F ZINC001352085909 937036016 /nfs/dbraw/zinc/03/60/16/937036016.db2.gz XHFUMPSTNIBCHD-NSHDSACASA-N -1 3 290.338 3.176 20 0 CGADHM CC(C)(C)O[N-]C(=O)C[C@@H]1C[C@H]1Cc1ccccc1 ZINC001355363616 937137991 /nfs/dbraw/zinc/13/79/91/937137991.db2.gz PXAFURIMCLWAKK-KGLIPLIRSA-N -1 3 261.365 3.102 20 0 CGADHM [O-]c1cccc(O[C@H]2C=CCC2)c1Br ZINC001229140865 927323525 /nfs/dbraw/zinc/32/35/25/927323525.db2.gz GWZOPYKJDNLZSJ-QMMMGPOBSA-N -1 3 255.111 3.252 20 0 CGADHM COc1cccc([O-])c1C(=O)N1CCC[C@H](C(C)(C)C)C1 ZINC001448382552 937374297 /nfs/dbraw/zinc/37/42/97/937374297.db2.gz APTGIGJECZUCTE-LBPRGKRZSA-N -1 3 291.391 3.299 20 0 CGADHM C[C@@H]1CCCC[C@H]1CC(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC001450051575 937383012 /nfs/dbraw/zinc/38/30/12/937383012.db2.gz POXPQWJBNSIFJO-MNOVXSKESA-N -1 3 287.363 3.423 20 0 CGADHM C[C@@H]1CC[C@H](C(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)C[C@H]1C ZINC001450050221 937382571 /nfs/dbraw/zinc/38/25/71/937382571.db2.gz KJBRJEUUXQUZAC-MXWKQRLJSA-N -1 3 287.363 3.279 20 0 CGADHM C[C@@H](C(=O)Nc1[nH][n-]c2cc(=O)ccc1-2)c1ccsc1 ZINC001450051632 937382623 /nfs/dbraw/zinc/38/26/23/937382623.db2.gz RHEQHQAQEIKCOS-MRVPVSSYSA-N -1 3 287.344 3.072 20 0 CGADHM CCOc1ccc(NC(=O)c2ccc(C)cc2[O-])nc1C ZINC001453997568 937406030 /nfs/dbraw/zinc/40/60/30/937406030.db2.gz HMQBYSOPMUYVJE-UHFFFAOYSA-N -1 3 286.331 3.055 20 0 CGADHM CCC1(CC)[C@H](NC(=O)c2ccc(C)cc2[O-])C[C@H]1OC ZINC001546060794 937408421 /nfs/dbraw/zinc/40/84/21/937408421.db2.gz JREGVOFQMCAEIP-HUUCEWRRSA-N -1 3 291.391 3.024 20 0 CGADHM CC(=O)c1ccc(C(=O)Nc2ccsc2C)cc1[O-] ZINC001454681867 937410520 /nfs/dbraw/zinc/41/05/20/937410520.db2.gz FKQLAUXFODBPBK-UHFFFAOYSA-N -1 3 275.329 3.217 20 0 CGADHM CC(C)CO[N-]C(=O)C[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001457726923 937445297 /nfs/dbraw/zinc/44/52/97/937445297.db2.gz YWAHHOGYXLAZEG-WDEREUQCSA-N -1 3 281.318 3.449 20 0 CGADHM CCC[C@@H](C)Oc1cc(O)cc([O-])c1Br ZINC001229099440 932093536 /nfs/dbraw/zinc/09/35/36/932093536.db2.gz KGPSTSQKHUYTHX-SSDOTTSWSA-N -1 3 275.142 3.428 20 0 CGADHM CC[C@@H](Oc1ccc(-c2nnn[n-]2)cc1OC)C(C)(C)C ZINC001229337670 932135628 /nfs/dbraw/zinc/13/56/28/932135628.db2.gz JHZQTIROIVRRMP-CYBMUJFWSA-N -1 3 290.367 3.079 20 0 CGADHM CC[C@@H](Oc1ccc(-c2nn[n-]n2)cc1OC)C(C)(C)C ZINC001229337670 932135632 /nfs/dbraw/zinc/13/56/32/932135632.db2.gz JHZQTIROIVRRMP-CYBMUJFWSA-N -1 3 290.367 3.079 20 0 CGADHM CC[C@@H](COc1nc(=S)[n-]c2scc(C)c21)OC ZINC001229354534 932135720 /nfs/dbraw/zinc/13/57/20/932135720.db2.gz YIQUJQNATPUCST-QMMMGPOBSA-N -1 3 284.406 3.092 20 0 CGADHM Cc1nc(O[C@H]2CC[C@H](C(F)(F)F)CC2)c(C)c(=O)[n-]1 ZINC001229686544 932469600 /nfs/dbraw/zinc/46/96/00/932469600.db2.gz SNTBYIQZELJALI-MGCOHNPYSA-N -1 3 290.285 3.299 20 0 CGADHM C[C@@H]1CCC[C@@H](Oc2ccccc2-c2nnn[n-]2)[C@@H]1C ZINC001229955835 932509065 /nfs/dbraw/zinc/50/90/65/932509065.db2.gz ZOUMUXBJPWHGIR-NQBHXWOUSA-N -1 3 272.352 3.070 20 0 CGADHM C[C@@H]1CCC[C@@H](Oc2ccccc2-c2nn[n-]n2)[C@@H]1C ZINC001229955835 932509072 /nfs/dbraw/zinc/50/90/72/932509072.db2.gz ZOUMUXBJPWHGIR-NQBHXWOUSA-N -1 3 272.352 3.070 20 0 CGADHM CC[C@H](C)C[C@H](CC)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001231072453 932671223 /nfs/dbraw/zinc/67/12/23/932671223.db2.gz CPYUDCGUSYDKJO-AAEUAGOBSA-N -1 3 274.368 3.460 20 0 CGADHM Cc1ccc2c(c1)CC[C@@H]2Oc1ccc(-c2nn[n-]n2)cc1 ZINC001231073474 932672752 /nfs/dbraw/zinc/67/27/52/932672752.db2.gz LBLDVIYBNFOTIS-INIZCTEOSA-N -1 3 292.342 3.241 20 0 CGADHM COc1cccc([C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001231073923 932672892 /nfs/dbraw/zinc/67/28/92/932672892.db2.gz OFGCAEFVHZQFTE-NSHDSACASA-N -1 3 296.330 3.015 20 0 CGADHM CCc1cccc(C(=O)Nc2nc(C(C)(C)C)co2)c1[O-] ZINC001305250276 932864302 /nfs/dbraw/zinc/86/43/02/932864302.db2.gz PAWPTJHPIQFZSD-UHFFFAOYSA-N -1 3 288.347 3.492 20 0 CGADHM O=c1nc(Cl)cc(Sc2ccc3c(c2)CCC3)[n-]1 ZINC001306916639 932895522 /nfs/dbraw/zinc/89/55/22/932895522.db2.gz HWMDNSRQHPRRNE-UHFFFAOYSA-N -1 3 278.764 3.476 20 0 CGADHM Cc1coc(CNCc2ccc([O-])c(Cl)c2)c1 ZINC001308509409 933123237 /nfs/dbraw/zinc/12/32/37/933123237.db2.gz PQYLJNHEDKKXNS-UHFFFAOYSA-N -1 3 251.713 3.237 20 0 CGADHM [O-]c1ccc(CN[C@@H](c2ccncc2)C2CC2)c(F)c1F ZINC001308971466 933217785 /nfs/dbraw/zinc/21/77/85/933217785.db2.gz GNBNZOPNMFGNSN-MRXNPFEDSA-N -1 3 290.313 3.306 20 0 CGADHM COc1cccc([C@H](C)NC(=O)c2c(C)cccc2[O-])c1 ZINC001464058604 937685348 /nfs/dbraw/zinc/68/53/48/937685348.db2.gz VGGBRHVRGSAEAT-LBPRGKRZSA-N -1 3 285.343 3.200 20 0 CGADHM Cc1cccc([O-])c1C(=O)Nc1ccc(-c2nnco2)cc1 ZINC001464145668 937686761 /nfs/dbraw/zinc/68/67/61/937686761.db2.gz HUMAZQNXKBTLQK-UHFFFAOYSA-N -1 3 295.298 3.003 20 0 CGADHM Cc1cccc([O-])c1C(=O)N[C@@H]1C[C@@H]1C1CCCCC1 ZINC001465515117 937701284 /nfs/dbraw/zinc/70/12/84/937701284.db2.gz GPXIKHLDHYXIDE-ZIAGYGMSSA-N -1 3 273.376 3.399 20 0 CGADHM CC(C)[C@H]1CCCCCN1C(=O)c1ccccc1[O-] ZINC001466447305 937709260 /nfs/dbraw/zinc/70/92/60/937709260.db2.gz DGUUCWCUEGKSTN-CQSZACIVSA-N -1 3 261.365 3.433 20 0 CGADHM O=C(CC(C1CCC1)C1CCC1)Nc1ncccc1[O-] ZINC001466805786 937712410 /nfs/dbraw/zinc/71/24/10/937712410.db2.gz WHAGRAIUDDQYEC-UHFFFAOYSA-N -1 3 274.364 3.332 20 0 CGADHM Cc1cc(=O)[n-]c(CSCCc2ccc(F)c(F)c2)n1 ZINC001319240395 933846756 /nfs/dbraw/zinc/84/67/56/933846756.db2.gz YYLFYWFEWXZHGR-UHFFFAOYSA-N -1 3 296.342 3.245 20 0 CGADHM O=C(CCc1cc(F)ccc1F)[N-]Oc1ccccc1F ZINC001471717426 937768918 /nfs/dbraw/zinc/76/89/18/937768918.db2.gz PJTJHWLOWLZFBD-UHFFFAOYSA-N -1 3 295.260 3.147 20 0 CGADHM Cc1cccc([O-])c1C(=O)NC[C@H]1C[C@H]1Cc1ccccc1 ZINC001472374120 937775750 /nfs/dbraw/zinc/77/57/50/937775750.db2.gz MAJFHNNZHZTHQZ-HZPDHXFCSA-N -1 3 295.382 3.309 20 0 CGADHM CC(C)(C)O[N-]C(=O)CC1C2CC3CC(C2)CC1C3 ZINC001472532110 937777234 /nfs/dbraw/zinc/77/72/34/937777234.db2.gz DONPDZVEXPEQPI-UHFFFAOYSA-N -1 3 265.397 3.295 20 0 CGADHM CC(C)O[N-]C(=O)CCCCCc1ccc(F)cc1 ZINC001330659268 935308775 /nfs/dbraw/zinc/30/87/75/935308775.db2.gz HUTFQFZOJUNQAA-UHFFFAOYSA-N -1 3 267.344 3.385 20 0 CGADHM O=C([O-])c1cc(CN2CCCC3(CCCCC3)CC2)[nH]n1 ZINC001334035103 936081164 /nfs/dbraw/zinc/08/11/64/936081164.db2.gz TZPLBQUAAJWJKM-UHFFFAOYSA-N -1 3 291.395 3.044 20 0 CGADHM Cc1nc(CN2[C@H](C)C[C@H](C)[C@@H](C(=O)[O-])[C@@H]2C)c(C)s1 ZINC001334739808 936111262 /nfs/dbraw/zinc/11/12/62/936111262.db2.gz YQYLKMDJLYIRIO-AEISUSGSSA-N -1 3 296.436 3.080 20 0 CGADHM C[C@H](CCCCC(=O)[O-])NCc1c(Cl)n[nH]c1C1CC1 ZINC001335615607 936155703 /nfs/dbraw/zinc/15/57/03/936155703.db2.gz JJFCPUVIMNAIIG-SECBINFHSA-N -1 3 299.802 3.064 20 0 CGADHM C[C@H]1CC[C@H](c2nc3cc(-c4ccccc4)oc3c(=O)[n-]2)O1 ZINC001336370923 936190521 /nfs/dbraw/zinc/19/05/21/936190521.db2.gz SUAXBALRVQNPMQ-GXFFZTMASA-N -1 3 296.326 3.423 20 0 CGADHM C[C@@H]1CCC(F)(F)CN1C(=O)c1cc([O-])ccc1Cl ZINC001336773157 936216562 /nfs/dbraw/zinc/21/65/62/936216562.db2.gz CAMOSSUSJKJWRU-MRVPVSSYSA-N -1 3 289.709 3.305 20 0 CGADHM CC(C)c1oncc1[N-]C(=O)c1ccc(F)s1 ZINC001337410725 936257384 /nfs/dbraw/zinc/25/73/84/936257384.db2.gz WCOJMTZZEMGSSK-UHFFFAOYSA-N -1 3 254.286 3.251 20 0 CGADHM COC(=O)c1coc(C(=O)[N-]c2cscc2Cl)c1 ZINC001533984921 938093623 /nfs/dbraw/zinc/09/36/23/938093623.db2.gz BAXDGKPTHWKUBL-UHFFFAOYSA-N -1 3 285.708 3.033 20 0 CGADHM CSc1ccc([O-])c(C(=O)NCC2CCCC2)c1 ZINC001540842726 938134320 /nfs/dbraw/zinc/13/43/20/938134320.db2.gz MCVQCVQUADZYRO-UHFFFAOYSA-N -1 3 265.378 3.034 20 0 CGADHM CCC(C)(C)NC(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC001542551665 938136260 /nfs/dbraw/zinc/13/62/60/938136260.db2.gz UEZYPUSYDZYHGM-UHFFFAOYSA-N -1 3 292.766 3.100 20 0 CGADHM CC1(CNC(=O)c2cc3sccc3c([O-])c2)CC1 ZINC001545203585 938149056 /nfs/dbraw/zinc/14/90/56/938149056.db2.gz NBNOMHJVSJJZEY-UHFFFAOYSA-N -1 3 261.346 3.137 20 0 CGADHM O=C([O-])[C@@]12CCC[C@H]1N(c1ccnc3ccccc31)CC2 ZINC001549895021 938160728 /nfs/dbraw/zinc/16/07/28/938160728.db2.gz NUSLURJTAJAEBY-NVXWUHKLSA-N -1 3 282.343 3.068 20 0 CGADHM Cc1nc([C@@H]2CCCCN2C[C@H]2C[C@H]2C(=O)[O-])sc1C ZINC001550703162 938170366 /nfs/dbraw/zinc/17/03/66/938170366.db2.gz NJHVXHPKCGMZFO-UPJWGTAASA-N -1 3 294.420 3.008 20 0 CGADHM Cc1ccc(C(=O)N[C@@H]2Cc3ccccc3[C@@H]2C)c([O-])c1 ZINC001557414926 938209813 /nfs/dbraw/zinc/20/98/13/938209813.db2.gz LATXWMYVRLIHKT-BLLLJJGKSA-N -1 3 281.355 3.159 20 0 CGADHM CCC[C@H]1CCCN1C(=O)c1cc(CC)ccc1[O-] ZINC001558686845 938217194 /nfs/dbraw/zinc/21/71/94/938217194.db2.gz DCCNSZPHNHWEQB-ZDUSSCGKSA-N -1 3 261.365 3.359 20 0 CGADHM CC[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1cc(C)c(Cl)s1 ZINC001561273567 938293811 /nfs/dbraw/zinc/29/38/11/938293811.db2.gz KUQPPZZPANNFFF-IONNQARKSA-N -1 3 295.857 3.423 20 0 CGADHM C[C@@]1(C(=O)[O-])CCCN1Cc1cc(Cl)cc(Cl)c1 ZINC000086816116 949069338 /nfs/dbraw/zinc/06/93/38/949069338.db2.gz LPKDEETVHWNSAK-ZDUSSCGKSA-N -1 3 288.174 3.433 20 0 CGADHM O=C([O-])c1ccccc1CNCc1ccc(Cl)s1 ZINC000236459731 949910337 /nfs/dbraw/zinc/91/03/37/949910337.db2.gz PLFDDHZGMFLDHA-UHFFFAOYSA-N -1 3 281.764 3.390 20 0 CGADHM C[C@H]1CSCCN(Cc2cccc(C(=O)[O-])c2Cl)C1 ZINC000379422917 971635247 /nfs/dbraw/zinc/63/52/47/971635247.db2.gz BUWPWQCERYRPGA-SNVBAGLBSA-N -1 3 299.823 3.223 20 0 CGADHM O=C([O-])[C@H](NCc1cc(Cl)cs1)c1ccc(F)cc1 ZINC001594841828 954085725 /nfs/dbraw/zinc/08/57/25/954085725.db2.gz CTLBQHBBBIOADV-GFCCVEGCSA-N -1 3 299.754 3.456 20 0 CGADHM COc1ccsc1[C@@H](C)NCc1cccc(C(=O)[O-])c1 ZINC001594152671 958802979 /nfs/dbraw/zinc/80/29/79/958802979.db2.gz CWUYDFLFYKCWFE-SNVBAGLBSA-N -1 3 291.372 3.306 20 0 CGADHM C[C@H](NCc1ccc(C(=O)[O-])c(F)c1)c1ccsc1 ZINC000235518072 960448695 /nfs/dbraw/zinc/44/86/95/960448695.db2.gz JFBVBEGJMPVCSS-VIFPVBQESA-N -1 3 279.336 3.436 20 0 CGADHM CCCC[C@@H](N[C@H](C)c1nc(C(=O)[O-])co1)C1CCC1 ZINC001595637868 960533629 /nfs/dbraw/zinc/53/36/29/960533629.db2.gz VUZMURZRZUUSQY-ZYHUDNBSSA-N -1 3 280.368 3.382 20 0 CGADHM COc1cccc([O-])c1C(=O)NC1CCC(C(C)C)CC1 ZINC001566300447 960922230 /nfs/dbraw/zinc/92/22/30/960922230.db2.gz QNDYRDKTEUIZFX-UHFFFAOYSA-N -1 3 291.391 3.345 20 0 CGADHM C(=C\c1ccccc1)\CCOc1cccc(-c2nnn[n-]2)c1 ZINC001573291689 962241310 /nfs/dbraw/zinc/24/13/10/962241310.db2.gz IEDZERFYLAMPJA-WTKPLQERSA-N -1 3 292.342 3.349 20 0 CGADHM C(=C\c1ccccc1)\CCOc1cccc(-c2nn[n-]n2)c1 ZINC001573291689 962241321 /nfs/dbraw/zinc/24/13/21/962241321.db2.gz IEDZERFYLAMPJA-WTKPLQERSA-N -1 3 292.342 3.349 20 0 CGADHM O=C([O-])c1cccc(CN2CC(Cc3ccc(F)cc3)C2)c1 ZINC001574807364 962322982 /nfs/dbraw/zinc/32/29/82/962322982.db2.gz ICFIUTZODIYZCL-UHFFFAOYSA-N -1 3 299.345 3.198 20 0 CGADHM O=C([O-])c1ccc(CNCc2ccc3scnc3c2)cc1 ZINC001574973278 962344119 /nfs/dbraw/zinc/34/41/19/962344119.db2.gz GBOUTHNUZMQZTJ-UHFFFAOYSA-N -1 3 298.367 3.284 20 0 CGADHM C[C@H]1CC(Sc2ccncc2-c2nnn[n-]2)C[C@H](C)C1 ZINC001575968941 962428539 /nfs/dbraw/zinc/42/85/39/962428539.db2.gz HGRNKSSTJAIRDE-NXEZZACHSA-N -1 3 289.408 3.179 20 0 CGADHM C[C@H]1CC(Sc2ccncc2-c2nn[n-]n2)C[C@H](C)C1 ZINC001575968941 962428545 /nfs/dbraw/zinc/42/85/45/962428545.db2.gz HGRNKSSTJAIRDE-NXEZZACHSA-N -1 3 289.408 3.179 20 0 CGADHM C[C@H]1C[C@H](Sc2ccncc2-c2nnn[n-]2)C[C@@H](C)C1 ZINC001575968959 962428926 /nfs/dbraw/zinc/42/89/26/962428926.db2.gz HGRNKSSTJAIRDE-URLYPYJESA-N -1 3 289.408 3.179 20 0 CGADHM C[C@H]1C[C@H](Sc2ccncc2-c2nn[n-]n2)C[C@@H](C)C1 ZINC001575968959 962428934 /nfs/dbraw/zinc/42/89/34/962428934.db2.gz HGRNKSSTJAIRDE-URLYPYJESA-N -1 3 289.408 3.179 20 0 CGADHM C[C@H]1CCCC[C@H]1COc1ccccc1-c1nnn[n-]1 ZINC001576171440 962436126 /nfs/dbraw/zinc/43/61/26/962436126.db2.gz QHAZOKRCFOIPLI-RYUDHWBXSA-N -1 3 272.352 3.072 20 0 CGADHM C[C@H]1CCCC[C@H]1COc1ccccc1-c1nn[n-]n1 ZINC001576171440 962436132 /nfs/dbraw/zinc/43/61/32/962436132.db2.gz QHAZOKRCFOIPLI-RYUDHWBXSA-N -1 3 272.352 3.072 20 0 CGADHM Cc1cc(-c2nnn[n-]2)cc(C)c1CSc1ccccn1 ZINC001580617003 962736396 /nfs/dbraw/zinc/73/63/96/962736396.db2.gz MLOQZGQPYVOOSW-UHFFFAOYSA-N -1 3 297.387 3.171 20 0 CGADHM Cc1cc(-c2nn[n-]n2)cc(C)c1CSc1ccccn1 ZINC001580617003 962736412 /nfs/dbraw/zinc/73/64/12/962736412.db2.gz MLOQZGQPYVOOSW-UHFFFAOYSA-N -1 3 297.387 3.171 20 0 CGADHM c1cc(S[C@H]2C=CCCCCC2)ncc1-c1nnn[n-]1 ZINC001588387705 963265780 /nfs/dbraw/zinc/26/57/80/963265780.db2.gz FCWDZFJMLLMMLM-LBPRGKRZSA-N -1 3 287.392 3.243 20 0 CGADHM c1cc(S[C@H]2C=CCCCCC2)ncc1-c1nn[n-]n1 ZINC001588387705 963265786 /nfs/dbraw/zinc/26/57/86/963265786.db2.gz FCWDZFJMLLMMLM-LBPRGKRZSA-N -1 3 287.392 3.243 20 0 CGADHM CC(C)(C)CCCOc1cccc(-c2nnn[n-]2)c1 ZINC001589125435 963347685 /nfs/dbraw/zinc/34/76/85/963347685.db2.gz YPUYEWBOPMOTCS-UHFFFAOYSA-N -1 3 260.341 3.072 20 0 CGADHM CC(C)(C)CCCOc1cccc(-c2nn[n-]n2)c1 ZINC001589125435 963347694 /nfs/dbraw/zinc/34/76/94/963347694.db2.gz YPUYEWBOPMOTCS-UHFFFAOYSA-N -1 3 260.341 3.072 20 0 CGADHM CC(C)(CNc1cccc(F)c1-c1nnn[n-]1)C1CCC1 ZINC001589293424 963980060 /nfs/dbraw/zinc/98/00/60/963980060.db2.gz XXMCGBNDFFDWGI-UHFFFAOYSA-N -1 3 289.358 3.244 20 0 CGADHM CC(C)(CNc1cccc(F)c1-c1nn[n-]n1)C1CCC1 ZINC001589293424 963980065 /nfs/dbraw/zinc/98/00/65/963980065.db2.gz XXMCGBNDFFDWGI-UHFFFAOYSA-N -1 3 289.358 3.244 20 0 CGADHM CC[C@](NC/C=C\Cl)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595290526 980389963 /nfs/dbraw/zinc/38/99/63/980389963.db2.gz LPELOEKXTBJUSU-UJYKQDJBSA-N -1 3 288.174 3.372 20 0 CGADHM CC[C@@]1(C)CCCN(Cc2cc(C(=O)[O-])c(C)[nH]2)C1 ZINC001595369440 980838971 /nfs/dbraw/zinc/83/89/71/980838971.db2.gz ZLMGBTMYAAITBW-HNNXBMFYSA-N -1 3 264.369 3.033 20 0 CGADHM CCC[C@@H](CN[C@H](C(=O)[O-])c1ccccc1Cl)OCC ZINC001595593044 981555164 /nfs/dbraw/zinc/55/51/64/981555164.db2.gz RATMSTBHYCRNLB-FZMZJTMJSA-N -1 3 299.798 3.261 20 0 CGADHM CCCN(CC1CC1)[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001595870155 982848555 /nfs/dbraw/zinc/84/85/55/982848555.db2.gz AKNAEPCTZNSZQE-SECBINFHSA-N -1 3 268.382 3.024 20 0 CGADHM Cc1[nH]c(CN2CC[C@H]3CCCC[C@H]3C2)cc1C(=O)[O-] ZINC001599964395 985868103 /nfs/dbraw/zinc/86/81/03/985868103.db2.gz ZJPZIMQQPHOBOS-OLZOCXBDSA-N -1 3 276.380 3.033 20 0 CGADHM CCc1nc(CN[C@@H]2CCC[C@@H](CCCC(=O)[O-])C2)co1 ZINC001597670249 988765691 /nfs/dbraw/zinc/76/56/91/988765691.db2.gz UXMZONJNJNCZMY-QWHCGFSZSA-N -1 3 294.395 3.140 20 0 CGADHM CC(C)CCOC1CCN(Cc2occc2C(=O)[O-])CC1 ZINC001591257122 992159375 /nfs/dbraw/zinc/15/93/75/992159375.db2.gz XSOHIBBRDCCXGX-UHFFFAOYSA-N -1 3 295.379 3.005 20 0 CGADHM CN(Cc1cc(C(=O)[O-])n(C)c1)Cc1cccc(Cl)c1 ZINC001598526255 992724091 /nfs/dbraw/zinc/72/40/91/992724091.db2.gz SDZJSQCMTKXCMB-UHFFFAOYSA-N -1 3 292.766 3.009 20 0 CGADHM C[C@@H](N[C@H](C(=O)[O-])c1cccc(Cl)c1)c1ccc[nH]1 ZINC001593196546 994155383 /nfs/dbraw/zinc/15/53/83/994155383.db2.gz VVDCJZBOHAPBAC-RNCFNFMXSA-N -1 3 278.739 3.145 20 0 CGADHM C[C@@H](NC[C@@H]1CCCC2(CCC2)O1)c1cc(C(=O)[O-])co1 ZINC001593252808 994508582 /nfs/dbraw/zinc/50/85/82/994508582.db2.gz VJGUFXXTBDLODC-YPMHNXCESA-N -1 3 293.363 3.120 20 0 CGADHM C[C@H](NCc1ccsc1)c1ccc(OCC(=O)[O-])cc1 ZINC001593309757 994765886 /nfs/dbraw/zinc/76/58/86/994765886.db2.gz ABEYSOXTYZJAOA-NSHDSACASA-N -1 3 291.372 3.062 20 0 CGADHM CC1=C(C)CN(Cc2ccc(F)cc2C(=O)[O-])CC1 ZINC001594110610 998211409 /nfs/dbraw/zinc/21/14/09/998211409.db2.gz YBBHOCCXTVUBPL-UHFFFAOYSA-N -1 3 263.312 3.066 20 0 CGADHM CC1=CCC[C@@H](C)[C@@H]1CNC(C)(C)c1cc(C(=O)[O-])on1 ZINC001594113203 998220516 /nfs/dbraw/zinc/22/05/16/998220516.db2.gz JKNNENQZUJLAIC-VXGBXAGGSA-N -1 3 292.379 3.190 20 0 CGADHM CC1CCC(C)(CNCc2ncc(C(=O)[O-])s2)CC1 ZINC001594296064 999140579 /nfs/dbraw/zinc/14/05/79/999140579.db2.gz MXVNRSAJLRFOFZ-UHFFFAOYSA-N -1 3 282.409 3.147 20 0 CGADHM C[C@H]1CC[C@](NCc2cccnc2)(C(=O)[O-])c2ccccc21 ZINC001594321455 999236041 /nfs/dbraw/zinc/23/60/41/999236041.db2.gz ROTUPGVPDVEXKP-SCLBCKFNSA-N -1 3 296.370 3.049 20 0 CGADHM CC12CC(C1)CN2C(=O)CCc1ccc2ccccc2c1[O-] ZINC000621217624 349474791 /nfs/dbraw/zinc/47/47/91/349474791.db2.gz AAIAYAIUTWEGMA-UHFFFAOYSA-N -1 3 295.382 3.489 20 0 CGADHM CCC1(CNC(=O)NCc2ccc([O-])c(F)c2)CCCC1 ZINC000127707032 187327746 /nfs/dbraw/zinc/32/77/46/187327746.db2.gz QFTWSWARNLPPTR-UHFFFAOYSA-N -1 3 294.370 3.301 20 0 CGADHM Cc1ccccc1[C@H](C)N(C)C(=O)c1cc(F)c[n-]c1=O ZINC000621509332 349537472 /nfs/dbraw/zinc/53/74/72/349537472.db2.gz XIJALEZALILNHP-NSHDSACASA-N -1 3 288.322 3.068 20 0 CGADHM CCn1cc(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])cn1 ZINC000337671592 214207587 /nfs/dbraw/zinc/20/75/87/214207587.db2.gz XUEUEWHCGXIXEY-UHFFFAOYSA-N -1 3 287.363 3.158 20 0 CGADHM COc1cc(C)cc(-c2nc([C@H](C)C3CC3)no2)c1[O-] ZINC000273871577 192343102 /nfs/dbraw/zinc/34/31/02/192343102.db2.gz DWYUMVFDNRVRIJ-SECBINFHSA-N -1 3 274.320 3.273 20 0 CGADHM CCCc1nc(C(=O)[N-]c2cc(F)c(F)cc2F)co1 ZINC000337846139 214285241 /nfs/dbraw/zinc/28/52/41/214285241.db2.gz DBQQWHVBEAERFG-UHFFFAOYSA-N -1 3 284.237 3.297 20 0 CGADHM C[C@H]1C[C@@H](C(C)(C)C)CCN1C(=O)c1cc(F)c[n-]c1=O ZINC000622054905 349624030 /nfs/dbraw/zinc/62/40/30/349624030.db2.gz TWKFHQOSWLLEJV-QWRGUYRKSA-N -1 3 294.370 3.213 20 0 CGADHM O=C(NC[C@@H]1C[C@H]1C1CC1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622096254 349628354 /nfs/dbraw/zinc/62/83/54/349628354.db2.gz KUJHPLVUROQEKL-GWCFXTLKSA-N -1 3 299.292 3.187 20 0 CGADHM CC[C@@H](C)[C@@H](OC)c1nc(-c2ccc([O-])cc2)no1 ZINC000436869435 529406083 /nfs/dbraw/zinc/40/60/83/529406083.db2.gz LGGHKAHHEZUPKX-BXKDBHETSA-N -1 3 262.309 3.176 20 0 CGADHM CC(C)(NC(=O)c1cc([O-])cc(C(F)(F)F)c1)C1CC1 ZINC000622131977 349633643 /nfs/dbraw/zinc/63/36/43/349633643.db2.gz DRWHYFOXDNBXEB-UHFFFAOYSA-N -1 3 287.281 3.329 20 0 CGADHM O=C(N[C@]12C[C@H]1CCC2)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622135535 349634255 /nfs/dbraw/zinc/63/42/55/349634255.db2.gz IGDQLSVMGAJUES-NOZJJQNGSA-N -1 3 285.265 3.083 20 0 CGADHM CCc1ccc(C(=O)NC2CCC3(CC3)CC2)c([O-])c1 ZINC000622558027 349685877 /nfs/dbraw/zinc/68/58/77/349685877.db2.gz YHNBZDHXWCCGGE-UHFFFAOYSA-N -1 3 273.376 3.407 20 0 CGADHM CCc1ccc(NC(=O)Cc2ccc([O-])c(F)c2)cc1F ZINC000622460421 349680960 /nfs/dbraw/zinc/68/09/60/349680960.db2.gz RMZFWOQDDHHVNQ-UHFFFAOYSA-N -1 3 291.297 3.414 20 0 CGADHM CC(C)c1ncsc1C(=O)Nc1ccc([O-])cc1F ZINC000622494529 349683079 /nfs/dbraw/zinc/68/30/79/349683079.db2.gz BEHNOWAEPLOTIR-UHFFFAOYSA-N -1 3 280.324 3.364 20 0 CGADHM CCc1ccc(C(=O)N2CCCCC[C@@H]2C)c([O-])c1 ZINC000436834854 529595160 /nfs/dbraw/zinc/59/51/60/529595160.db2.gz RNLFDSNMAANEMM-LBPRGKRZSA-N -1 3 261.365 3.359 20 0 CGADHM CCCN(CCc1cccs1)C(=O)c1csc(=O)[n-]1 ZINC000350893109 219068730 /nfs/dbraw/zinc/06/87/30/219068730.db2.gz BZRWSOGKQBQKQO-UHFFFAOYSA-N -1 3 296.417 3.005 20 0 CGADHM CCc1ccc(CN[C@@H](C(=O)[O-])c2cccc(F)c2)cc1 ZINC000426810620 529654750 /nfs/dbraw/zinc/65/47/50/529654750.db2.gz JDBWWXDBFYDVQL-MRXNPFEDSA-N -1 3 287.334 3.304 20 0 CGADHM CCc1cnccc1[C@H](C)NC(=O)c1cc(C)ccc1[O-] ZINC000436791949 529680876 /nfs/dbraw/zinc/68/08/76/529680876.db2.gz MKHFUNQUVJMMOK-LBPRGKRZSA-N -1 3 284.359 3.149 20 0 CGADHM CCc1ccc([O-])c(C(=O)N(CC)C[C@H](C)CC)c1 ZINC000436873904 529690354 /nfs/dbraw/zinc/69/03/54/529690354.db2.gz UFRPMXXNAZRVDH-GFCCVEGCSA-N -1 3 263.381 3.463 20 0 CGADHM Cc1noc([N-]C(=O)[C@H](OC(C)C)c2ccccc2)c1C ZINC000294988313 199286899 /nfs/dbraw/zinc/28/68/99/199286899.db2.gz OINXPQGBWNYSGW-CQSZACIVSA-N -1 3 288.347 3.396 20 0 CGADHM CSCC1(Cc2nc(-c3ccc([O-])cc3)no2)CC1 ZINC000593215693 347052475 /nfs/dbraw/zinc/05/24/75/347052475.db2.gz NDLSFRMAVLTKEB-UHFFFAOYSA-N -1 3 276.361 3.128 20 0 CGADHM Cc1ccc(NC(=O)NCc2ccccc2)c([O-])c1 ZINC000038437349 344955541 /nfs/dbraw/zinc/95/55/41/344955541.db2.gz DAURGHSHWRUJSB-UHFFFAOYSA-N -1 3 256.305 3.022 20 0 CGADHM Cc1cc(N2CCC[C@@H](CC(=O)[O-])C2)c2ccccc2n1 ZINC000054297824 345131846 /nfs/dbraw/zinc/13/18/46/345131846.db2.gz LRJIFGXBWXQHQV-ZDUSSCGKSA-N -1 3 284.359 3.234 20 0 CGADHM C[C@@H]1C[C@@H](C)CN(Cc2ccc(C(=O)[O-])cc2F)C1 ZINC000062749634 345240174 /nfs/dbraw/zinc/24/01/74/345240174.db2.gz KTVCCLYCSZXRHZ-GHMZBOCLSA-N -1 3 265.328 3.002 20 0 CGADHM COc1ccccc1C(C)(C)CNC(=O)c1ccccc1[O-] ZINC000062928717 345242541 /nfs/dbraw/zinc/24/25/41/345242541.db2.gz UCPSDLHOOXOIJI-UHFFFAOYSA-N -1 3 299.370 3.108 20 0 CGADHM CCS[C@H](C(=O)Nc1ccc(C)cc1[O-])C(C)C ZINC000067105881 345314703 /nfs/dbraw/zinc/31/47/03/345314703.db2.gz UCIJAWHEIIZNQM-ZDUSSCGKSA-N -1 3 267.394 3.417 20 0 CGADHM COc1ccc(F)cc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000067138955 345315794 /nfs/dbraw/zinc/31/57/94/345315794.db2.gz PCELIVVDVANNCW-UHFFFAOYSA-N -1 3 295.697 3.446 20 0 CGADHM Cc1cccc2c(=O)c(C(=O)N3C[C@H](C)C[C@@H](C)C3)c[n-]c12 ZINC000154918944 232222099 /nfs/dbraw/zinc/22/20/99/232222099.db2.gz OZENTHHWFRDTCP-VXGBXAGGSA-N -1 3 298.386 3.367 20 0 CGADHM O=C([O-])[C@@H](c1ccccc1)N1CCC(C(F)(F)F)CC1 ZINC000088422653 345761086 /nfs/dbraw/zinc/76/10/86/345761086.db2.gz SSOFSCOSQVVTDB-GFCCVEGCSA-N -1 3 287.281 3.087 20 0 CGADHM C[C@@H]1CC[C@H](C)CN1Cc1ccc(C(=O)[O-])cc1F ZINC000088712479 345763912 /nfs/dbraw/zinc/76/39/12/345763912.db2.gz KIXHXNWMRQWJOY-WDEREUQCSA-N -1 3 265.328 3.144 20 0 CGADHM [O-]C(=NOC1CCCC1)Nc1nc(C(F)(F)F)cs1 ZINC000089264980 345767474 /nfs/dbraw/zinc/76/74/74/345767474.db2.gz BQUQRTPNVWEROO-UHFFFAOYSA-N -1 3 295.286 3.158 20 0 CGADHM O=C([N-]OC1CCCC1)Nc1nc(C(F)(F)F)cs1 ZINC000089264980 345767476 /nfs/dbraw/zinc/76/74/76/345767476.db2.gz BQUQRTPNVWEROO-UHFFFAOYSA-N -1 3 295.286 3.158 20 0 CGADHM C[C@H]1CN(C(=O)c2cc([O-])ccc2Cl)CCC1(F)F ZINC000290942403 290761568 /nfs/dbraw/zinc/76/15/68/290761568.db2.gz OPLAMLQEDYMVIF-QMMMGPOBSA-N -1 3 289.709 3.163 20 0 CGADHM CC(C)c1cc(C(=O)N(C)C[C@H](C)O)c([O-])c(C(C)C)c1 ZINC000092224988 345833151 /nfs/dbraw/zinc/83/31/51/345833151.db2.gz JSCJWRJEAQCKDP-LBPRGKRZSA-N -1 3 293.407 3.092 20 0 CGADHM O=C(CCc1cc(Cl)cs1)Nc1ncccc1[O-] ZINC000126365893 346023453 /nfs/dbraw/zinc/02/34/53/346023453.db2.gz NZSDLFYYFALMOJ-UHFFFAOYSA-N -1 3 282.752 3.073 20 0 CGADHM C[C@H]1CCN(Cc2ccc(Cl)cc2)[C@H](C(=O)[O-])C1 ZINC000129440311 346049452 /nfs/dbraw/zinc/04/94/52/346049452.db2.gz DTPHYZOEUQBSFQ-GWCFXTLKSA-N -1 3 267.756 3.025 20 0 CGADHM CCc1ccc([O-])c(C(=O)N(C)Cc2cccc(F)c2)c1 ZINC000132291337 346070893 /nfs/dbraw/zinc/07/08/93/346070893.db2.gz YFGSRWQVLWVQPT-UHFFFAOYSA-N -1 3 287.334 3.366 20 0 CGADHM CCS[C@H](C(=O)Nc1ccc(OC)cc1[O-])C(C)C ZINC000135407743 346087682 /nfs/dbraw/zinc/08/76/82/346087682.db2.gz OCSMXUHDRNAZAT-ZDUSSCGKSA-N -1 3 283.393 3.117 20 0 CGADHM CC(=O)c1cccc(NC(=O)CCc2ccccc2)c1[O-] ZINC000148052690 346127057 /nfs/dbraw/zinc/12/70/57/346127057.db2.gz RQZHEXOOPZEFQC-UHFFFAOYSA-N -1 3 283.327 3.166 20 0 CGADHM Cc1ncc(C(=O)Nc2cc(Cl)cc(C)c2[O-])s1 ZINC000172082483 346214977 /nfs/dbraw/zinc/21/49/77/346214977.db2.gz HQOZZKSGAYXWHG-UHFFFAOYSA-N -1 3 282.752 3.371 20 0 CGADHM Cc1ccc(CN2CCC[C@@H](CC(=O)[O-])C2)cc1Cl ZINC000235875281 346337698 /nfs/dbraw/zinc/33/76/98/346337698.db2.gz WKVMISYKRFCRKD-LBPRGKRZSA-N -1 3 281.783 3.335 20 0 CGADHM CS[C@@H](C)CNC(=O)c1cc([O-])c2ccccc2c1 ZINC000281544308 346418548 /nfs/dbraw/zinc/41/85/48/346418548.db2.gz KTODSXPIMSCKDY-JTQLQIEISA-N -1 3 275.373 3.027 20 0 CGADHM CCc1ccc(CN2Cc3ccccc3C[C@@H]2C(=O)[O-])cc1 ZINC000315779555 346484223 /nfs/dbraw/zinc/48/42/23/346484223.db2.gz WQYKPVAUYCVKIK-GOSISDBHSA-N -1 3 295.382 3.261 20 0 CGADHM C[C@H](NC(=O)c1ccc(O)cc1[O-])[C@H]1CC2CCC1CC2 ZINC000381487273 346558512 /nfs/dbraw/zinc/55/85/12/346558512.db2.gz GOBOQPFWIRNGLV-ZIULKBFBSA-N -1 3 289.375 3.042 20 0 CGADHM Cc1ccsc1CN(C)Cc1ccccc1C(=O)[O-] ZINC000383700790 346562765 /nfs/dbraw/zinc/56/27/65/346562765.db2.gz GZYSMIWQIFTBGR-UHFFFAOYSA-N -1 3 275.373 3.387 20 0 CGADHM C[C@@H]1CCC[C@@H](CC(=O)N=c2cc(-c3cccnc3)[n-][nH]2)C1 ZINC000339280970 215062884 /nfs/dbraw/zinc/06/28/84/215062884.db2.gz HZKSABIATJTBCM-CHWSQXEVSA-N -1 3 298.390 3.049 20 0 CGADHM CCSC1(CNC(=O)c2cc(SC)ccc2[O-])CC1 ZINC000598338012 347645896 /nfs/dbraw/zinc/64/58/96/347645896.db2.gz OELLSNWJVSABMQ-UHFFFAOYSA-N -1 3 297.445 3.130 20 0 CGADHM CC[C@@H](NC(=O)NCc1ccc([O-])c(F)c1)C(C)(C)C ZINC000606681658 348196379 /nfs/dbraw/zinc/19/63/79/348196379.db2.gz LCGBWICFDUQRLD-CYBMUJFWSA-N -1 3 282.359 3.155 20 0 CGADHM CCc1ccc([O-])c(C(=O)N[C@H]2CCC[C@@H](SC)C2)c1 ZINC000609771760 348352549 /nfs/dbraw/zinc/35/25/49/348352549.db2.gz BTXSKVLHARCJNW-QWHCGFSZSA-N -1 3 293.432 3.359 20 0 CGADHM Cc1n[nH]c(C)c1NC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000357850835 233017142 /nfs/dbraw/zinc/01/71/42/233017142.db2.gz RWOKUOYQEAJCGZ-UHFFFAOYSA-N -1 3 294.767 3.475 20 0 CGADHM CSc1ccc([O-])c(C(=O)N2C[C@@H](C)CC[C@H]2C)c1 ZINC000611701420 348469029 /nfs/dbraw/zinc/46/90/29/348469029.db2.gz AJHIEUYAEBWOJG-WDEREUQCSA-N -1 3 279.405 3.375 20 0 CGADHM [O-]c1ccc(F)c(CNCc2cccs2)c1F ZINC000351978969 219272890 /nfs/dbraw/zinc/27/28/90/219272890.db2.gz FFAXXNUEURDDGE-UHFFFAOYSA-N -1 3 255.289 3.022 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)C[C@H](C)[C@@H]2CCCO2)c1[O-] ZINC000613035681 348561346 /nfs/dbraw/zinc/56/13/46/348561346.db2.gz PACAHKWXRZUHDX-ZANVPECISA-N -1 3 297.782 3.498 20 0 CGADHM CCc1onc(C)c1[N-]C(=O)c1cc(COC)cs1 ZINC000613075248 348563536 /nfs/dbraw/zinc/56/35/36/348563536.db2.gz SMKLXDNMIGHYLD-UHFFFAOYSA-N -1 3 280.349 3.006 20 0 CGADHM CSc1ccc([O-])c(C(=O)N2CCSCC[C@@H]2C)c1 ZINC000613951588 348642860 /nfs/dbraw/zinc/64/28/60/348642860.db2.gz GYJOCSIVGNDSOM-JTQLQIEISA-N -1 3 297.445 3.082 20 0 CGADHM CC[C@@H](CC(=O)Nc1[nH][n-]c2cc(=O)ccc1-2)C(C)C ZINC000615138082 348717325 /nfs/dbraw/zinc/71/73/25/348717325.db2.gz UCGOWIKLDSQIRN-JTQLQIEISA-N -1 3 275.352 3.279 20 0 CGADHM CC(=O)c1ccc(C(=O)NC(C)(C)C(C)(C)C)cc1[O-] ZINC000615240229 348726622 /nfs/dbraw/zinc/72/66/22/348726622.db2.gz PLNIITRDHSSOPZ-UHFFFAOYSA-N -1 3 277.364 3.149 20 0 CGADHM CCc1nocc1C(=O)[N-]c1ncsc1C(C)C ZINC000614961032 348703531 /nfs/dbraw/zinc/70/35/31/348703531.db2.gz RHMNGLYGFCCNKG-UHFFFAOYSA-N -1 3 265.338 3.069 20 0 CGADHM CSc1ccc([O-])c(C(=O)N(C)C2CC(C)(C)C2)c1 ZINC000616235284 348801238 /nfs/dbraw/zinc/80/12/38/348801238.db2.gz LGLIZOAMTNFPIP-UHFFFAOYSA-N -1 3 279.405 3.375 20 0 CGADHM CCCCCC(=O)NCc1ccc([O-])c2ncccc12 ZINC000616019918 348781593 /nfs/dbraw/zinc/78/15/93/348781593.db2.gz GQXDNVZUYBBMQJ-UHFFFAOYSA-N -1 3 272.348 3.137 20 0 CGADHM C[C@H]1CC[C@H](C(=O)NCc2ccc([O-])c3ncccc23)CC1 ZINC000616020341 348781731 /nfs/dbraw/zinc/78/17/31/348781731.db2.gz KPCFUJUWBPLLGS-JOCQHMNTSA-N -1 3 298.386 3.383 20 0 CGADHM Cc1ccc(C(=O)N2[C@H](C)CCC2(C)C)c([O-])c1C ZINC000616164655 348792255 /nfs/dbraw/zinc/79/22/55/348792255.db2.gz FLNMRXNZIBPEST-LLVKDONJSA-N -1 3 261.365 3.412 20 0 CGADHM O=C(Cc1cccc2cccnc21)Nc1ccc([O-])cc1F ZINC000358152311 233066294 /nfs/dbraw/zinc/06/62/94/233066294.db2.gz OPQDMTKWUJOQIF-UHFFFAOYSA-N -1 3 296.301 3.261 20 0 CGADHM O=C(Nc1cc(C2CC2)ccn1)c1cc(-c2ccco2)[n-]n1 ZINC000358250231 233089900 /nfs/dbraw/zinc/08/99/00/233089900.db2.gz LEBOOKREQSVCTL-UHFFFAOYSA-N -1 3 294.314 3.194 20 0 CGADHM O=C(Nc1cc(C2CC2)ccn1)c1cc(-c2ccco2)n[n-]1 ZINC000358250231 233089901 /nfs/dbraw/zinc/08/99/01/233089901.db2.gz LEBOOKREQSVCTL-UHFFFAOYSA-N -1 3 294.314 3.194 20 0 CGADHM C[C@]1(C(=O)Nc2ccc([O-])cc2Cl)C[C@H]2C[C@H]2C1 ZINC000616940271 348884885 /nfs/dbraw/zinc/88/48/85/348884885.db2.gz VXKJYXGGZZLJNK-QRJZZWFUSA-N -1 3 265.740 3.420 20 0 CGADHM COC1CCC(C(=O)Nc2ccc([O-])cc2Cl)CC1 ZINC000616940651 348885151 /nfs/dbraw/zinc/88/51/51/348885151.db2.gz BBGGEVQAMAAKOY-UHFFFAOYSA-N -1 3 283.755 3.189 20 0 CGADHM CC1(C)CCC[C@](O)(C(=O)Nc2ccc([O-])cc2Cl)C1 ZINC000616942984 348885923 /nfs/dbraw/zinc/88/59/23/348885923.db2.gz KCFTUEUHIJKYLS-OAHLLOKOSA-N -1 3 297.782 3.315 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-]CC[C@H](C)c2ccccc2)o1 ZINC000358424344 233129939 /nfs/dbraw/zinc/12/99/39/233129939.db2.gz FXJAEXOIIKOXHN-LBPRGKRZSA-N -1 3 293.388 3.060 20 0 CGADHM Cc1cc2c([n-]c(CC(=O)c3ccccc3)nc2=O)s1 ZINC000339570041 215247403 /nfs/dbraw/zinc/24/74/03/215247403.db2.gz ZKTOFPYBWBAIQA-UHFFFAOYSA-N -1 3 284.340 3.131 20 0 CGADHM [O-]c1ccc(F)c(CNCCc2ccc(F)cc2)c1F ZINC000352016473 219291135 /nfs/dbraw/zinc/29/11/35/219291135.db2.gz XKQHFXVZLKNHSV-UHFFFAOYSA-N -1 3 281.277 3.142 20 0 CGADHM COc1cccc(C=Cc2cc(=O)[n-]c(C3CC3)n2)c1OC ZINC000352022126 219292581 /nfs/dbraw/zinc/29/25/81/219292581.db2.gz VJLATDHGSOXZEH-CMDGGOBGSA-N -1 3 298.342 3.247 20 0 CGADHM C[C@@]1(CNC(=O)c2ccc3c(c2[O-])CCCC3)CC1(F)F ZINC000618598886 349117362 /nfs/dbraw/zinc/11/73/62/349117362.db2.gz OPVPUTXCPJCRQD-HNNXBMFYSA-N -1 3 295.329 3.046 20 0 CGADHM Cc1cc(C(=O)N[C@@H]2CC[C@@H]2c2ccccc2)ccc1[O-] ZINC000619213568 349221599 /nfs/dbraw/zinc/22/15/99/349221599.db2.gz IDVPGZRBRNHQMJ-HZPDHXFCSA-N -1 3 281.355 3.377 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2cccc(OC(F)F)c2)n1 ZINC000352035065 219297639 /nfs/dbraw/zinc/29/76/39/219297639.db2.gz LQOQABACIHSKCW-WAYWQWQTSA-N -1 3 278.258 3.262 20 0 CGADHM CCCCOc1ccc(C(=O)N2CC[C@H]3C[C@H]3C2)c([O-])c1 ZINC000619366159 349238092 /nfs/dbraw/zinc/23/80/92/349238092.db2.gz ISBXOKATOCMFIB-STQMWFEESA-N -1 3 289.375 3.053 20 0 CGADHM Cc1ccc(C(=O)N(CCC2CC2)CC2CC2)c([O-])c1 ZINC000620629180 349399210 /nfs/dbraw/zinc/39/92/10/349399210.db2.gz GLJJWVJZSGKJIV-UHFFFAOYSA-N -1 3 273.376 3.353 20 0 CGADHM CN(C[C@@H]1CCc2ccccc21)C(=O)c1cccc([O-])c1 ZINC000620681413 349409850 /nfs/dbraw/zinc/40/98/50/349409850.db2.gz FLCGZFWEZDODKC-HNNXBMFYSA-N -1 3 281.355 3.194 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CCC[C@@H]1C1CCCC1 ZINC000624499238 350055589 /nfs/dbraw/zinc/05/55/89/350055589.db2.gz FVMKFTOZVOVKBJ-CQSZACIVSA-N -1 3 273.376 3.495 20 0 CGADHM CCCN(C(=O)c1cc(=O)[n-]cn1)[C@@H](CC)c1ccccc1 ZINC000624795794 350104752 /nfs/dbraw/zinc/10/47/52/350104752.db2.gz BZSAFCMAWXAQCV-HNNXBMFYSA-N -1 3 299.374 3.186 20 0 CGADHM Cc1ccc(C(=O)N2CCn3cccc3[C@H]2C)c([O-])c1C ZINC000271241282 191023177 /nfs/dbraw/zinc/02/31/77/191023177.db2.gz YTKDCAUQFBQIMP-CYBMUJFWSA-N -1 3 284.359 3.028 20 0 CGADHM [O-]c1ccc(Cl)c(CN2CCO[C@H](c3ccco3)C2)c1 ZINC000625217118 350142246 /nfs/dbraw/zinc/14/22/46/350142246.db2.gz KJCYBGSCMNJSKH-HNNXBMFYSA-N -1 3 293.750 3.212 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CCCC[C@H]1c1cccn1C ZINC000625964710 350236188 /nfs/dbraw/zinc/23/61/88/350236188.db2.gz FIIZOGUYWDXYSB-HNNXBMFYSA-N -1 3 298.386 3.407 20 0 CGADHM CCc1cccc(Cl)c1CN1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000625970265 350237541 /nfs/dbraw/zinc/23/75/41/350237541.db2.gz MFUOBQBWLCEARB-YPMHNXCESA-N -1 3 295.810 3.445 20 0 CGADHM C/C=C/C[C@@H]1CCCN(Cc2ccoc2C(=O)[O-])C1 ZINC000625971732 350238567 /nfs/dbraw/zinc/23/85/67/350238567.db2.gz XDRINYQJGHZDBO-QAVQXKDTSA-N -1 3 263.337 3.156 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CCC[C@H](C(C)C)C1 ZINC000626590868 350321137 /nfs/dbraw/zinc/32/11/37/350321137.db2.gz NVGCGLASTCPQKN-ZDUSSCGKSA-N -1 3 261.365 3.209 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1C[C@H](C)C[C@@H](C)[C@@H]1C ZINC000626631215 350325376 /nfs/dbraw/zinc/32/53/76/350325376.db2.gz UVCIYFSBGOLSTQ-RTXFEEFZSA-N -1 3 261.365 3.207 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CC[C@H](C)C[C@@H](C)C1 ZINC000626243195 350287233 /nfs/dbraw/zinc/28/72/33/350287233.db2.gz LRYGZGAHVGHITD-NWDGAFQWSA-N -1 3 261.365 3.209 20 0 CGADHM CCO[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1[O-])C1CC1 ZINC000626916326 350347321 /nfs/dbraw/zinc/34/73/21/350347321.db2.gz XUNUNASSNUDINB-HNNXBMFYSA-N -1 3 291.391 3.443 20 0 CGADHM Cc1ccc(C(=O)N2CCC[C@H]2C2CCC2)c([O-])c1C ZINC000271363455 191097296 /nfs/dbraw/zinc/09/72/96/191097296.db2.gz YNHIWKHWKJGQHK-HNNXBMFYSA-N -1 3 273.376 3.414 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CC2(CCC2)[C@H]1C(C)C ZINC000627471031 350361766 /nfs/dbraw/zinc/36/17/66/350361766.db2.gz FALIIYSELQBDNR-OAHLLOKOSA-N -1 3 273.376 3.351 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CCC[C@@]2(CCSC2)C1 ZINC000627682140 350375126 /nfs/dbraw/zinc/37/51/26/350375126.db2.gz CENGHKVHWZTDIH-MRXNPFEDSA-N -1 3 291.416 3.060 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CCC(C2CCC2)CC1 ZINC000628062704 350395983 /nfs/dbraw/zinc/39/59/83/350395983.db2.gz OBCFPPNDDAWSKZ-UHFFFAOYSA-N -1 3 273.376 3.353 20 0 CGADHM Cc1cc(=O)[n-]c(C(C)(C)N[C@H](C)Cc2ccsc2)n1 ZINC000628375024 350519680 /nfs/dbraw/zinc/51/96/80/350519680.db2.gz UREPHZPCADROFW-LLVKDONJSA-N -1 3 291.420 3.008 20 0 CGADHM CCN=c1[n-]c(C(=O)N2CC(C)(C)CCC2(C)C)cs1 ZINC000628533468 350568736 /nfs/dbraw/zinc/56/87/36/350568736.db2.gz FAOQLUJVZVVJIF-UHFFFAOYSA-N -1 3 295.452 3.038 20 0 CGADHM C[C@@H]1CN(Cc2csc(C(=O)[O-])c2)C[C@@H](C)C1(F)F ZINC000629363419 350678404 /nfs/dbraw/zinc/67/84/04/350678404.db2.gz DBUNMVUUVURBNG-RKDXNWHRSA-N -1 3 289.347 3.169 20 0 CGADHM O=C([O-])[C@@H](c1ccccc1F)N1CCCC(F)(F)CC1 ZINC000629368811 350680515 /nfs/dbraw/zinc/68/05/15/350680515.db2.gz WVCRKUKASYRIMA-GFCCVEGCSA-N -1 3 287.281 3.073 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)[C@@H]2CC23CCC3)c1-c1ccc(F)cc1 ZINC000630028594 350798743 /nfs/dbraw/zinc/79/87/43/350798743.db2.gz BOQZEWYAPSRUIJ-ZDUSSCGKSA-N -1 3 299.349 3.075 20 0 CGADHM CC[C@@H](CNCc1c(F)ccc(F)c1Cl)CC(=O)[O-] ZINC000630452795 350842248 /nfs/dbraw/zinc/84/22/48/350842248.db2.gz OVMCHYYBASBPOF-MRVPVSSYSA-N -1 3 291.725 3.209 20 0 CGADHM Cc1nc(CNC[C@@H](CC(=O)[O-])C2CCCCC2)cs1 ZINC000630473647 350846111 /nfs/dbraw/zinc/84/61/11/350846111.db2.gz VBVWCXJOACWESS-CYBMUJFWSA-N -1 3 296.436 3.212 20 0 CGADHM CC[C@@H](C)Cc1noc(-c2cc(C)cc(OC)c2[O-])n1 ZINC000632248659 351185685 /nfs/dbraw/zinc/18/56/85/351185685.db2.gz WDQUJGDRBMHDBM-SECBINFHSA-N -1 3 276.336 3.348 20 0 CGADHM CC(C)(C(=O)Nc1ccc([O-])cc1F)[C@H]1CCCCO1 ZINC000632344107 351194598 /nfs/dbraw/zinc/19/45/98/351194598.db2.gz NPVLRJYELLUOAK-CYBMUJFWSA-N -1 3 281.327 3.065 20 0 CGADHM CC(=O)c1cccc(NC(=O)c2cc(C)ccc2F)c1[O-] ZINC000336512409 213390456 /nfs/dbraw/zinc/39/04/56/213390456.db2.gz AUTRBUCKXBTXRD-UHFFFAOYSA-N -1 3 287.290 3.295 20 0 CGADHM CCc1c(=O)n([C@H]2CCSC2)[n-]c1-c1cccc(C)c1 ZINC000634627592 351550335 /nfs/dbraw/zinc/55/03/35/351550335.db2.gz GKRATKFBKZZVTC-KBPBESRZSA-N -1 3 288.416 3.073 20 0 CGADHM CCc1c(-c2ccccc2)[n-]n([C@H](C)c2ccncc2)c1=O ZINC000634626581 351550730 /nfs/dbraw/zinc/55/07/30/351550730.db2.gz HJQHUMYPRQTKRF-CJNGLKHVSA-N -1 3 293.370 3.415 20 0 CGADHM Cc1cc(OC[C@@H]2CCC(F)(F)C2)cc2occ([O-])c21 ZINC000634561056 351514732 /nfs/dbraw/zinc/51/47/32/351514732.db2.gz JPKYGFSJHXJGID-SNVBAGLBSA-N -1 3 282.286 3.384 20 0 CGADHM Cc1c2occ([O-])c2ccc1OC[C@@H]1CCC(F)(F)C1 ZINC000634559655 351514817 /nfs/dbraw/zinc/51/48/17/351514817.db2.gz APWFIJGMGZBHNM-SNVBAGLBSA-N -1 3 282.286 3.384 20 0 CGADHM Cc1[n-]n([C@H]2CCc3c2cccc3F)c(=O)c1C1CC1 ZINC000634632507 351554153 /nfs/dbraw/zinc/55/41/53/351554153.db2.gz SRDGAXPGZRXOTQ-LSDHHAIUSA-N -1 3 272.323 3.057 20 0 CGADHM Cc1ccc(NC(=O)[C@@H](CC(C)C)n2ccnc2)c([O-])c1 ZINC000635097086 351637234 /nfs/dbraw/zinc/63/72/34/351637234.db2.gz ZTBYAOYYHVBHSU-CQSZACIVSA-N -1 3 287.363 3.123 20 0 CGADHM CCC(CC)N(CC(C)C)C(=O)c1cc(F)c[n-]c1=O ZINC000635650121 351679453 /nfs/dbraw/zinc/67/94/53/351679453.db2.gz ZRZGYLDBQDHGIZ-UHFFFAOYSA-N -1 3 282.359 3.213 20 0 CGADHM O=c1cc(-c2nc(C3CCCCC3)no2)nc(C2CC2)[n-]1 ZINC000635528896 351666694 /nfs/dbraw/zinc/66/66/94/351666694.db2.gz ZYFKBAKIECVXSF-UHFFFAOYSA-N -1 3 286.335 3.157 20 0 CGADHM CC(=O)c1ccc(C(=O)N(C)C[C@@H](C)C(C)(C)C)cc1[O-] ZINC000636429329 351755376 /nfs/dbraw/zinc/75/53/76/351755376.db2.gz DOBOBHRDFODFBP-LLVKDONJSA-N -1 3 291.391 3.349 20 0 CGADHM CC(=O)c1ccccc1C(=O)Nc1ccc(C)cc1[O-] ZINC000122582588 187039419 /nfs/dbraw/zinc/03/94/19/187039419.db2.gz GEAKIRXWNRXHHI-UHFFFAOYSA-N -1 3 269.300 3.156 20 0 CGADHM CC[C@@H](C)CON=C([O-])Nc1ccc(F)cc1F ZINC000291940535 198111877 /nfs/dbraw/zinc/11/18/77/198111877.db2.gz UJCUSBQMJJNMRZ-MRVPVSSYSA-N -1 3 258.268 3.064 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)Nc1ccc(F)cc1F ZINC000291940535 198111879 /nfs/dbraw/zinc/11/18/79/198111879.db2.gz UJCUSBQMJJNMRZ-MRVPVSSYSA-N -1 3 258.268 3.064 20 0 CGADHM O=C([N-]OC1CCCC1)[C@H]1C[C@@H]1c1ccc(F)cc1F ZINC000271625193 191245928 /nfs/dbraw/zinc/24/59/28/191245928.db2.gz ASGVJQCUZSXFDK-OLZOCXBDSA-N -1 3 281.302 3.059 20 0 CGADHM CCc1cc(C(=O)N[C@@H]2[C@H]3Cc4ccccc4[C@@H]23)ccc1[O-] ZINC000292211736 198203083 /nfs/dbraw/zinc/20/30/83/198203083.db2.gz PZFACSRHMYJWAF-CGTJXYLNSA-N -1 3 293.366 3.023 20 0 CGADHM O=C([N-]OC/C=C/Cl)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000292218964 198206910 /nfs/dbraw/zinc/20/69/10/198206910.db2.gz QMCOYZXEBLDNIK-PVNVNXCXSA-N -1 3 285.693 3.155 20 0 CGADHM CC(C)CO[N-]C(=O)CCc1ccc(Cl)s1 ZINC000153423310 188081699 /nfs/dbraw/zinc/08/16/99/188081699.db2.gz WYKLFLSAOHHMMC-UHFFFAOYSA-N -1 3 261.774 3.038 20 0 CGADHM CC(=O)[C@@H](C)CCCCC(=O)Nc1cc(F)ccc1[O-] ZINC000155724038 188224346 /nfs/dbraw/zinc/22/43/46/188224346.db2.gz AJOKUHBNXKVEHH-JTQLQIEISA-N -1 3 281.327 3.255 20 0 CGADHM CCCOc1ccc(NC(=O)[N-]OCC2CC2)c(C)c1 ZINC000292625897 198355296 /nfs/dbraw/zinc/35/52/96/198355296.db2.gz NDPYTHUALGYPRL-UHFFFAOYSA-N -1 3 278.352 3.247 20 0 CGADHM COc1cc(NCc2nc(C)ccc2[O-])cc(OC)c1C ZINC000292835817 198427871 /nfs/dbraw/zinc/42/78/71/198427871.db2.gz YENOEMBJNGLCJY-UHFFFAOYSA-N -1 3 288.347 3.033 20 0 CGADHM Cc1cc(NC([O-])=NOC2CCCC2)ccc1N(C)C ZINC000271783705 191324126 /nfs/dbraw/zinc/32/41/26/191324126.db2.gz ILLBDUHOVQQBJL-UHFFFAOYSA-N -1 3 277.368 3.057 20 0 CGADHM Cc1cc(NC(=O)[N-]OC2CCCC2)ccc1N(C)C ZINC000271783705 191324130 /nfs/dbraw/zinc/32/41/30/191324130.db2.gz ILLBDUHOVQQBJL-UHFFFAOYSA-N -1 3 277.368 3.057 20 0 CGADHM [O-]C(=NOC1CCCC1)Nc1ccc(F)c(Cl)c1 ZINC000271789497 191328881 /nfs/dbraw/zinc/32/88/81/191328881.db2.gz JUAZLUCZFQRLLA-UHFFFAOYSA-N -1 3 272.707 3.475 20 0 CGADHM O=C([N-]OC1CCCC1)Nc1ccc(F)c(Cl)c1 ZINC000271789497 191328883 /nfs/dbraw/zinc/32/88/83/191328883.db2.gz JUAZLUCZFQRLLA-UHFFFAOYSA-N -1 3 272.707 3.475 20 0 CGADHM COc1c(Cl)cccc1NC([O-])=NOC1CCCC1 ZINC000271848119 191365256 /nfs/dbraw/zinc/36/52/56/191365256.db2.gz VWFVKGXTDHTZJL-UHFFFAOYSA-N -1 3 284.743 3.344 20 0 CGADHM COc1c(Cl)cccc1NC(=O)[N-]OC1CCCC1 ZINC000271848119 191365259 /nfs/dbraw/zinc/36/52/59/191365259.db2.gz VWFVKGXTDHTZJL-UHFFFAOYSA-N -1 3 284.743 3.344 20 0 CGADHM O=c1cc(COc2ccc(F)cc2Cl)nc(C2CC2)[n-]1 ZINC000412973869 235233484 /nfs/dbraw/zinc/23/34/84/235233484.db2.gz BDYHJNFXIHOWTC-UHFFFAOYSA-N -1 3 294.713 3.431 20 0 CGADHM CCSCC[C@@H](C)N(C)C(=O)c1cc(OC)ccc1[O-] ZINC000175463107 188952310 /nfs/dbraw/zinc/95/23/10/188952310.db2.gz FHYGEBREDBKFJW-LLVKDONJSA-N -1 3 297.420 3.005 20 0 CGADHM C[C@@H](C(=O)Nc1ccc([O-])cc1F)c1ccccc1F ZINC000124582450 138376045 /nfs/dbraw/zinc/37/60/45/138376045.db2.gz WGBFAHUEPRMTQE-SECBINFHSA-N -1 3 277.270 3.413 20 0 CGADHM CC(C)=CCC[C@@H](C)NC(=O)/C=C/c1cncc([O-])c1 ZINC000493634978 535359150 /nfs/dbraw/zinc/35/91/50/535359150.db2.gz UKIYTLGSGPZYFY-SBDDDAINSA-N -1 3 274.364 3.052 20 0 CGADHM CC(C)(NCc1ccc(Oc2ccccc2)o1)C(=O)[O-] ZINC000340677629 215680837 /nfs/dbraw/zinc/68/08/37/215680837.db2.gz JZAAZKZCADMTNX-UHFFFAOYSA-N -1 3 275.304 3.025 20 0 CGADHM CN(C(=O)CCc1ccc2ccccc2c1[O-])C1CC1 ZINC000294453035 199044912 /nfs/dbraw/zinc/04/49/12/199044912.db2.gz RQNZVXNHXDTUOH-UHFFFAOYSA-N -1 3 269.344 3.099 20 0 CGADHM O=C(CCc1ccc2ccccc2c1[O-])N[C@@H]1CC12CC2 ZINC000424972574 236205110 /nfs/dbraw/zinc/20/51/10/236205110.db2.gz QEWYBYGPGCMQCJ-OAHLLOKOSA-N -1 3 281.355 3.147 20 0 CGADHM O=C(CCc1ccc2ccccc2c1[O-])N[C@H]1CC12CC2 ZINC000424972573 236205222 /nfs/dbraw/zinc/20/52/22/236205222.db2.gz QEWYBYGPGCMQCJ-HNNXBMFYSA-N -1 3 281.355 3.147 20 0 CGADHM Cc1nc(C)c(CN[C@@H](CC(=O)[O-])c2ccsc2)s1 ZINC000426682729 236306360 /nfs/dbraw/zinc/30/63/60/236306360.db2.gz LHJAEGXVYLMOOX-NSHDSACASA-N -1 3 296.417 3.127 20 0 CGADHM COc1cccc(CN[C@@H](C(=O)[O-])c2cc(C)cc(C)c2)c1 ZINC000426756185 236312291 /nfs/dbraw/zinc/31/22/91/236312291.db2.gz ILPRZZROTSLCRI-QGZVFWFLSA-N -1 3 299.370 3.228 20 0 CGADHM [O-]c1ccc(F)c(CN2CC[C@H](CC(F)(F)F)C2)c1F ZINC000294772549 199175570 /nfs/dbraw/zinc/17/55/70/199175570.db2.gz SZEVCKXMBQKUFY-MRVPVSSYSA-N -1 3 295.251 3.445 20 0 CGADHM CCOC1CC2(C1)CCN(Cc1cccc([O-])c1Cl)C2 ZINC000294842608 199208848 /nfs/dbraw/zinc/20/88/48/199208848.db2.gz ZHTYBLPIYKOCFO-UHFFFAOYSA-N -1 3 295.810 3.437 20 0 CGADHM CC(=O)c1cccc(NC(=O)c2sccc2C)c1[O-] ZINC000336143602 212956642 /nfs/dbraw/zinc/95/66/42/212956642.db2.gz BHXLRRYYGHVAAA-UHFFFAOYSA-N -1 3 275.329 3.217 20 0 CGADHM O=C(N[C@H]1CCC[C@H]1c1ccccc1)c1c([O-])cccc1O ZINC000436650839 237155201 /nfs/dbraw/zinc/15/52/01/237155201.db2.gz XSHXYUUELMWUPN-KBPBESRZSA-N -1 3 297.354 3.164 20 0 CGADHM Cc1cc(C)cc(C[C@@H](C)NC(=O)c2ccc(O)cc2[O-])c1 ZINC000436670955 237156466 /nfs/dbraw/zinc/15/64/66/237156466.db2.gz SPVNHCMQZATIHE-CYBMUJFWSA-N -1 3 299.370 3.076 20 0 CGADHM Cc1cnccc1CNC(=O)c1ccc(C(C)C)cc1[O-] ZINC000436836702 237190473 /nfs/dbraw/zinc/19/04/73/237190473.db2.gz IBHLAGWAHAMXKE-UHFFFAOYSA-N -1 3 284.359 3.149 20 0 CGADHM Cc1cc(-c2csc(-c3ccccc3[O-])n2)on1 ZINC000436705288 237163316 /nfs/dbraw/zinc/16/33/16/237163316.db2.gz RNTJPSMZGBDTGP-UHFFFAOYSA-N -1 3 258.302 3.479 20 0 CGADHM CN(C(=O)c1ccccc1[O-])C1C2CC3CC(C2)CC1C3 ZINC000436760539 237178723 /nfs/dbraw/zinc/17/87/23/237178723.db2.gz QESZULBCVOJJBR-UHFFFAOYSA-N -1 3 285.387 3.289 20 0 CGADHM CCc1ccc(S(=O)(=O)[N-]CCCC(C)(F)F)s1 ZINC000296937375 200039948 /nfs/dbraw/zinc/03/99/48/200039948.db2.gz GNNXMQJKZLYVJP-UHFFFAOYSA-N -1 3 297.392 3.024 20 0 CGADHM COc1ccc(C(=O)NC2(C(F)F)CCCCC2)c([O-])c1 ZINC000436856615 237197673 /nfs/dbraw/zinc/19/76/73/237197673.db2.gz MQRFBJBFBKOBNZ-UHFFFAOYSA-N -1 3 299.317 3.099 20 0 CGADHM Cc1cccc(Cl)c1NC([O-])=NOCC1CC1 ZINC000297044684 200069853 /nfs/dbraw/zinc/06/98/53/200069853.db2.gz XKYNSCFWENGADV-UHFFFAOYSA-N -1 3 254.717 3.112 20 0 CGADHM Cc1cccc(Cl)c1NC(=O)[N-]OCC1CC1 ZINC000297044684 200069854 /nfs/dbraw/zinc/06/98/54/200069854.db2.gz XKYNSCFWENGADV-UHFFFAOYSA-N -1 3 254.717 3.112 20 0 CGADHM CCCc1cnc(NC([O-])=NOC[C@H](C)CC)s1 ZINC000297019965 200063152 /nfs/dbraw/zinc/06/31/52/200063152.db2.gz VFNUDWRWPCBUHU-SECBINFHSA-N -1 3 271.386 3.195 20 0 CGADHM CCCc1cnc(NC(=O)[N-]OC[C@H](C)CC)s1 ZINC000297019965 200063154 /nfs/dbraw/zinc/06/31/54/200063154.db2.gz VFNUDWRWPCBUHU-SECBINFHSA-N -1 3 271.386 3.195 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)[C@@H](O)C2CCCCC2)c1[O-] ZINC000438164790 237439135 /nfs/dbraw/zinc/43/91/35/237439135.db2.gz BKMPZIXWMIUEGR-AWEZNQCLSA-N -1 3 297.782 3.234 20 0 CGADHM CC[C@@H](C)CON=C([O-])Nc1cc(F)c(F)cc1OC ZINC000297447537 200194065 /nfs/dbraw/zinc/19/40/65/200194065.db2.gz QEWHXTFAMVFMRU-MRVPVSSYSA-N -1 3 288.294 3.073 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)Nc1cc(F)c(F)cc1OC ZINC000297447537 200194067 /nfs/dbraw/zinc/19/40/67/200194067.db2.gz QEWHXTFAMVFMRU-MRVPVSSYSA-N -1 3 288.294 3.073 20 0 CGADHM Cc1cc(C)cc(C2(C(=O)Nc3ncccc3[O-])CC2)c1 ZINC000341904577 216147204 /nfs/dbraw/zinc/14/72/04/216147204.db2.gz USRAWSATBKONFA-UHFFFAOYSA-N -1 3 282.343 3.074 20 0 CGADHM CCC(CC)[C@@H]1C[C@H](NC(=O)c2ccccc2[O-])CCO1 ZINC000180818064 189277139 /nfs/dbraw/zinc/27/71/39/189277139.db2.gz UWMISTLZFLJRPP-CJNGLKHVSA-N -1 3 291.391 3.106 20 0 CGADHM Cc1cccc2ncnc(NCc3ccc([O-])c(F)c3)c12 ZINC000301529704 201049488 /nfs/dbraw/zinc/04/94/88/201049488.db2.gz KNARXASZPNHJEC-UHFFFAOYSA-N -1 3 283.306 3.395 20 0 CGADHM Cc1cccnc1[C@H](NC(=O)c1cccc([O-])c1)C(C)C ZINC000182452090 189323925 /nfs/dbraw/zinc/32/39/25/189323925.db2.gz ZKCCYONVCBHBKE-OAHLLOKOSA-N -1 3 284.359 3.223 20 0 CGADHM O=C([N-]c1ncn(C2CCCCC2)n1)c1ccc(Cl)o1 ZINC000182705602 189331870 /nfs/dbraw/zinc/33/18/70/189331870.db2.gz AOIKLBVWLVJAMZ-UHFFFAOYSA-N -1 3 294.742 3.282 20 0 CGADHM CCc1cc(=O)[n-]c(CN2Cc3ccccc3C[C@H]2CC)n1 ZINC000342380504 216331969 /nfs/dbraw/zinc/33/19/69/216331969.db2.gz STIIKSMYYYDRMP-MRXNPFEDSA-N -1 3 297.402 3.082 20 0 CGADHM C[C@H]1CCC[C@@H](N(C)C(=O)Cc2ccc([O-])c(F)c2)C1 ZINC000448666475 239015067 /nfs/dbraw/zinc/01/50/67/239015067.db2.gz GGJJCVKWYWHTTG-WCQYABFASA-N -1 3 279.355 3.111 20 0 CGADHM Cc1ccc(-c2noc([N-][C@H](C)[C@H]3CCCO3)n2)cc1 ZINC000302086706 201338327 /nfs/dbraw/zinc/33/83/27/201338327.db2.gz ZLZRLHZPLLZAKJ-DGCLKSJQSA-N -1 3 273.336 3.024 20 0 CGADHM [O-]c1cccc(CNCCCC2CCOCC2)c1Cl ZINC000449354332 239341364 /nfs/dbraw/zinc/34/13/64/239341364.db2.gz MLDNXWNYPYYVMX-UHFFFAOYSA-N -1 3 283.799 3.342 20 0 CGADHM Cc1ccc(NC(=O)CCc2cccc(N(C)C)c2)c([O-])c1 ZINC000188911566 189517111 /nfs/dbraw/zinc/51/71/11/189517111.db2.gz SYFMKAXMCBEETP-UHFFFAOYSA-N -1 3 298.386 3.338 20 0 CGADHM Cc1ccc(NC(=O)[C@H]2CCC(=O)[C@H](C)C2(C)C)c([O-])c1 ZINC000275395326 193020518 /nfs/dbraw/zinc/02/05/18/193020518.db2.gz AJIJLDLHXYHKEH-NWDGAFQWSA-N -1 3 289.375 3.281 20 0 CGADHM CC[C@H]1CCN1C(=O)c1cc([O-])ccc1C(F)(F)F ZINC000335560064 212268047 /nfs/dbraw/zinc/26/80/47/212268047.db2.gz TWDRIBIBCMMNSI-QMMMGPOBSA-N -1 3 273.254 3.036 20 0 CGADHM C[C@]1(C(=O)Nc2cc(Cl)ccc2[O-])CC1(F)F ZINC000335549942 212252261 /nfs/dbraw/zinc/25/22/61/212252261.db2.gz IXUUCZUIIRMVBH-SNVBAGLBSA-N -1 3 261.655 3.029 20 0 CGADHM C[C@@H](CC(C)(C)C)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000457225735 241584425 /nfs/dbraw/zinc/58/44/25/241584425.db2.gz MGRNFFJFEXDIEY-NSHDSACASA-N -1 3 286.375 3.083 20 0 CGADHM CN(Cc1cccc([O-])c1Br)C1CCC1 ZINC000459343236 242083513 /nfs/dbraw/zinc/08/35/13/242083513.db2.gz LOYMHTAQXIEINA-UHFFFAOYSA-N -1 3 270.170 3.139 20 0 CGADHM CC1(C)CCC[N@@H+]1Cc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000459322736 242070177 /nfs/dbraw/zinc/07/01/77/242070177.db2.gz DBFJTDKOUHVLDY-UHFFFAOYSA-N -1 3 283.375 3.224 20 0 CGADHM CC1(C)CCCN1Cc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000459322736 242070190 /nfs/dbraw/zinc/07/01/90/242070190.db2.gz DBFJTDKOUHVLDY-UHFFFAOYSA-N -1 3 283.375 3.224 20 0 CGADHM CC(=O)c1cccc(NC(=O)C23CCC(CC2)C3)c1[O-] ZINC000335544198 212243612 /nfs/dbraw/zinc/24/36/12/212243612.db2.gz UVVCVXLOPQJSQN-UHFFFAOYSA-N -1 3 273.332 3.114 20 0 CGADHM CCN(Cc1cccc([O-])c1Br)CC1CC1 ZINC000459352396 242085834 /nfs/dbraw/zinc/08/58/34/242085834.db2.gz QOWHBXWTFBPCQQ-UHFFFAOYSA-N -1 3 284.197 3.387 20 0 CGADHM C[C@@H]1[C@H](C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)C1(F)F ZINC000461451212 242306620 /nfs/dbraw/zinc/30/66/20/242306620.db2.gz COIURTPHQAYGJO-MLUIRONXSA-N -1 3 295.207 3.251 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CC(c3ccccc3F)C2)c1 ZINC000463003554 242379128 /nfs/dbraw/zinc/37/91/28/242379128.db2.gz YAQAGISCYAYGNH-UHFFFAOYSA-N -1 3 299.345 3.333 20 0 CGADHM C[C@@H]1C[C@H](C)[C@H](C)N(C(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000473830690 242843451 /nfs/dbraw/zinc/84/34/51/242843451.db2.gz QHPXYSYLZWZSEP-WOPDTQHZSA-N -1 3 294.370 3.107 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2ccc(F)c(Cl)c2)n1 ZINC000486122700 243354310 /nfs/dbraw/zinc/35/43/10/243354310.db2.gz FFJKRMZTIVYNEI-HYXAFXHYSA-N -1 3 264.687 3.454 20 0 CGADHM CCOC(=O)c1ccc(C(=O)Nc2c(C)cccc2[O-])cc1 ZINC000486950435 243384894 /nfs/dbraw/zinc/38/48/94/243384894.db2.gz LRJJNHCIYNRJCL-UHFFFAOYSA-N -1 3 299.326 3.130 20 0 CGADHM CC(C)(C)C[C@H](O)CC(=O)Nc1cc(Cl)ccc1[O-] ZINC000486977988 243390325 /nfs/dbraw/zinc/39/03/25/243390325.db2.gz FRKPTLFSRVQDQO-SNVBAGLBSA-N -1 3 285.771 3.171 20 0 CGADHM COCc1nocc1C(=O)[N-]c1c(C)cccc1SC ZINC000487050799 243394740 /nfs/dbraw/zinc/39/47/40/243394740.db2.gz VUPZDNAUCRIANV-UHFFFAOYSA-N -1 3 292.360 3.104 20 0 CGADHM CCc1cc(C(=O)NC/C=C/c2ccccc2)ccc1[O-] ZINC000486358304 243360881 /nfs/dbraw/zinc/36/08/81/243360881.db2.gz ZWELTAXWNASKCI-RMKNXTFCSA-N -1 3 281.355 3.398 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-]c2cccnc2Cl)c(C)c1 ZINC000016129275 368708464 /nfs/dbraw/zinc/70/84/64/368708464.db2.gz UAJMDDXRJMQQNQ-UHFFFAOYSA-N -1 3 296.779 3.153 20 0 CGADHM Cc1ccc([O-])c(C(=O)N[C@H](C(C)(C)C)C(F)(F)F)c1 ZINC000537673353 376193441 /nfs/dbraw/zinc/19/34/41/376193441.db2.gz ISDBGCSIUIEPIU-GFCCVEGCSA-N -1 3 289.297 3.407 20 0 CGADHM Cc1ccc([O-])c(C(=O)N[C@H](C)c2ccccc2)c1 ZINC000019836868 368770585 /nfs/dbraw/zinc/77/05/85/368770585.db2.gz CZBDVXBGLHIOIH-GFCCVEGCSA-N -1 3 255.317 3.192 20 0 CGADHM CCN(C(=O)c1cc(C)ccc1[O-])c1ccccc1 ZINC000019839397 368771838 /nfs/dbraw/zinc/77/18/38/368771838.db2.gz IJDCVNYWKZHYSA-UHFFFAOYSA-N -1 3 255.317 3.367 20 0 CGADHM CCC[C@H](NCc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000036839285 369031942 /nfs/dbraw/zinc/03/19/42/369031942.db2.gz FJEQCGXINIHQLQ-NSHDSACASA-N -1 3 276.163 3.336 20 0 CGADHM COc1cc(C(=O)N2C[C@H](C)[C@H]3CCCC[C@@H]32)ccc1[O-] ZINC000276029807 193193725 /nfs/dbraw/zinc/19/37/25/193193725.db2.gz UHSYRTGUINSMTH-YUTCNCBUSA-N -1 3 289.375 3.052 20 0 CGADHM O=C(/C=C/c1cc(F)c(F)c(F)c1)[N-]OC1CCCC1 ZINC000492648949 244002016 /nfs/dbraw/zinc/00/20/16/244002016.db2.gz YTKYYQICKNHWNT-AATRIKPKSA-N -1 3 285.265 3.108 20 0 CGADHM O=C(/C=C\c1ccc(F)c(F)c1)Nc1ccc([O-])cc1F ZINC000492785936 244023347 /nfs/dbraw/zinc/02/33/47/244023347.db2.gz YYVXJJNVJFMWKC-KXFIGUGUSA-N -1 3 293.244 3.461 20 0 CGADHM Cc1ccccc1[C@@H](C)NCc1nc(=O)c2sccc2[n-]1 ZINC000042259636 369209233 /nfs/dbraw/zinc/20/92/33/369209233.db2.gz PHRFBURQGIJAPY-LLVKDONJSA-N -1 3 299.399 3.144 20 0 CGADHM CC(C)c1noc([N-][C@H]2CCOc3c(F)cccc32)n1 ZINC000276083077 193208406 /nfs/dbraw/zinc/20/84/06/193208406.db2.gz UZRPEVRCLCNDET-NSHDSACASA-N -1 3 277.299 3.268 20 0 CGADHM CCC(CC)CN(CC)C(=O)c1cccc(OC)c1[O-] ZINC000047910606 369331291 /nfs/dbraw/zinc/33/12/91/369331291.db2.gz LZJADXCNHXMXIL-UHFFFAOYSA-N -1 3 279.380 3.299 20 0 CGADHM COc1ccccc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000047215502 369310251 /nfs/dbraw/zinc/31/02/51/369310251.db2.gz JTGRACKPIZDBMM-UHFFFAOYSA-N -1 3 297.763 3.149 20 0 CGADHM CC[C@@H]1CCCN(C(=O)c2ccc(C)c(C)c2[O-])C1 ZINC000049040764 369383775 /nfs/dbraw/zinc/38/37/75/369383775.db2.gz GMVHATBAOYUJPW-CYBMUJFWSA-N -1 3 261.365 3.271 20 0 CGADHM O=C([N-]CCC12CC3CC(CC(C3)C1)C2)C(F)(F)F ZINC000048520947 369356930 /nfs/dbraw/zinc/35/69/30/369356930.db2.gz VXSZHDRRMPYITB-UHFFFAOYSA-N -1 3 275.314 3.271 20 0 CGADHM Cc1ccc([C@H](C)NCc2nc(=O)c3sccc3[n-]2)cc1 ZINC000049556789 369409326 /nfs/dbraw/zinc/40/93/26/369409326.db2.gz VRYZZFAGBCWROR-NSHDSACASA-N -1 3 299.399 3.144 20 0 CGADHM O=C([O-])[C@H](NCc1ccc(Cl)c(F)c1)c1ccccc1 ZINC000050510343 369440368 /nfs/dbraw/zinc/44/03/68/369440368.db2.gz AYTIKEXMBNAYIH-CQSZACIVSA-N -1 3 293.725 3.395 20 0 CGADHM O=C(Nc1ccc([C@H]2CCOC2)cc1)c1cccc([O-])c1 ZINC000336438836 213302778 /nfs/dbraw/zinc/30/27/78/213302778.db2.gz CLDSTQRIFHDCDM-AWEZNQCLSA-N -1 3 283.327 3.148 20 0 CGADHM COc1ccc(C(=O)Nc2cc(Cl)ccc2[O-])cc1F ZINC000096968748 370214481 /nfs/dbraw/zinc/21/44/81/370214481.db2.gz XFTZIGLCKYGMBH-UHFFFAOYSA-N -1 3 295.697 3.446 20 0 CGADHM Cc1ccc([O-])c(C(=O)NC[C@@H]2C[C@H]2c2ccccc2)c1 ZINC000509968369 244933659 /nfs/dbraw/zinc/93/36/59/244933659.db2.gz KZIYULOHXLKBDC-GJZGRUSLSA-N -1 3 281.355 3.234 20 0 CGADHM Cc1cccnc1-c1nc(=O)c2c(C(C)C)csc2[n-]1 ZINC000112206878 370414386 /nfs/dbraw/zinc/41/43/86/370414386.db2.gz LQIUCMQSZKUPMY-UHFFFAOYSA-N -1 3 285.372 3.478 20 0 CGADHM CSc1ccc(C(=O)[N-]c2nnc(CC(C)C)s2)o1 ZINC000112228344 370415505 /nfs/dbraw/zinc/41/55/05/370415505.db2.gz JJUFERZQHOSOQA-UHFFFAOYSA-N -1 3 297.405 3.304 20 0 CGADHM O=S(=O)(CCC1CC1)[N-]c1cccc(Cl)c1F ZINC000129956982 371007226 /nfs/dbraw/zinc/00/72/26/371007226.db2.gz LSPAWYZPENGPHG-UHFFFAOYSA-N -1 3 277.748 3.021 20 0 CGADHM Cc1cccc(-c2nc([C@H]3CCO[C@H](C)C3)no2)c1[O-] ZINC000331699409 204087071 /nfs/dbraw/zinc/08/70/71/204087071.db2.gz VTRGWCJITQUTSK-MNOVXSKESA-N -1 3 274.320 3.033 20 0 CGADHM COc1ccc([O-])c(C(=O)N2C[C@@H](C)CCC[C@H]2C)c1 ZINC000134178623 371308825 /nfs/dbraw/zinc/30/88/25/371308825.db2.gz KAEVIUPECAJDCX-NWDGAFQWSA-N -1 3 277.364 3.052 20 0 CGADHM CC(C)c1ccc(NC(=O)c2ccc3n[n-]nc3c2)cc1 ZINC000016494164 541853633 /nfs/dbraw/zinc/85/36/33/541853633.db2.gz BNEAZEITOJAEAL-UHFFFAOYSA-N -1 3 280.331 3.334 20 0 CGADHM Cc1ncc(NC(=O)c2c[n-]nc2-c2ccccc2)s1 ZINC000337306739 376206336 /nfs/dbraw/zinc/20/63/36/376206336.db2.gz VKLQNTLXTBOHDF-UHFFFAOYSA-N -1 3 284.344 3.094 20 0 CGADHM CC(C)(C)c1csc(C[S@](=O)c2ccc([O-])cc2)n1 ZINC000151372253 371594901 /nfs/dbraw/zinc/59/49/01/371594901.db2.gz JOQWIUUNCYENFS-LJQANCHMSA-N -1 3 295.429 3.454 20 0 CGADHM O=C(Nc1cc(Br)ccc1[O-])[C@@]12C[C@@H]1CCC2 ZINC000421791677 371634331 /nfs/dbraw/zinc/63/43/31/371634331.db2.gz JZCGTIWVHZIAKI-SDBXPKJASA-N -1 3 296.164 3.283 20 0 CGADHM C[C@@H]1CCC[C@H]1CNCc1c(F)ccc([O-])c1F ZINC000353331096 220031218 /nfs/dbraw/zinc/03/12/18/220031218.db2.gz MWGQGQCNMSJBHT-ZJUUUORDSA-N -1 3 255.308 3.196 20 0 CGADHM Cc1cccc2c(=O)c(C(=O)N(C)Cc3ccco3)c[n-]c12 ZINC000154836215 371883476 /nfs/dbraw/zinc/88/34/76/371883476.db2.gz PRTWKEOYQGCHPT-UHFFFAOYSA-N -1 3 296.326 3.114 20 0 CGADHM O=C(c1c[n-]c2ccccc2c1=O)N1CCC[C@@H](C2CC2)C1 ZINC000290809737 372057152 /nfs/dbraw/zinc/05/71/52/372057152.db2.gz GACDGECPEKSXNB-CYBMUJFWSA-N -1 3 296.370 3.203 20 0 CGADHM Fc1cccc2c1OCC[C@@H]2[N-]c1nnc(C(F)F)o1 ZINC000292922456 372249855 /nfs/dbraw/zinc/24/98/55/372249855.db2.gz DDDPCPPMROQIBR-QMMMGPOBSA-N -1 3 285.225 3.082 20 0 CGADHM Cc1c2ccc(NC(=O)c3ccc([O-])c(C)c3)cc2nn1C ZINC000428756716 372262629 /nfs/dbraw/zinc/26/26/29/372262629.db2.gz FPANONSZFZZQMG-UHFFFAOYSA-N -1 3 295.342 3.148 20 0 CGADHM CC(C)c1nc([C@H](C)NCc2cccc([O-])c2Cl)n[nH]1 ZINC000293309069 372352602 /nfs/dbraw/zinc/35/26/02/372352602.db2.gz QCJIJMMQBJSNCF-VIFPVBQESA-N -1 3 294.786 3.138 20 0 CGADHM O=C(Cc1ccc([O-])cc1Cl)NCCc1ccsc1 ZINC000163027982 372443068 /nfs/dbraw/zinc/44/30/68/372443068.db2.gz BGIHUICOQFNZHV-UHFFFAOYSA-N -1 3 295.791 3.009 20 0 CGADHM Cc1cc(C(=O)N2CC3(CCC3)[C@@H]2C(C)C)ccc1[O-] ZINC000293685293 372450010 /nfs/dbraw/zinc/45/00/10/372450010.db2.gz OZIHKESTCGAAFC-HNNXBMFYSA-N -1 3 273.376 3.351 20 0 CGADHM COC1(C)CCN(Cc2cccc([O-])c2Cl)CC1 ZINC000293721192 372460372 /nfs/dbraw/zinc/46/03/72/372460372.db2.gz VOEIHAXDNCGKHM-UHFFFAOYSA-N -1 3 269.772 3.047 20 0 CGADHM CC(C)CCC[C@H](C)NC(=O)c1cc(F)cc2nn[n-]c21 ZINC000431528165 372482915 /nfs/dbraw/zinc/48/29/15/372482915.db2.gz KBGWFOVROKDBBU-JTQLQIEISA-N -1 3 292.358 3.042 20 0 CGADHM CC(C)CCC[C@H](C)NC(=O)c1cc(F)cc2[n-]nnc21 ZINC000431528165 372482924 /nfs/dbraw/zinc/48/29/24/372482924.db2.gz KBGWFOVROKDBBU-JTQLQIEISA-N -1 3 292.358 3.042 20 0 CGADHM CC(C)CCC[C@H](C)NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000431528165 372482932 /nfs/dbraw/zinc/48/29/32/372482932.db2.gz KBGWFOVROKDBBU-JTQLQIEISA-N -1 3 292.358 3.042 20 0 CGADHM O=C([N-]OCC1CC1)[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000293752118 372470604 /nfs/dbraw/zinc/47/06/04/372470604.db2.gz KMPPBSCWJJNJHF-QWHCGFSZSA-N -1 3 299.292 3.267 20 0 CGADHM CC(C)C[C@H]1C[C@H](NCc2c(F)ccc([O-])c2F)CCO1 ZINC000293758963 372471889 /nfs/dbraw/zinc/47/18/89/372471889.db2.gz YVCCYYVLFKBWIL-NEPJUHHUSA-N -1 3 299.361 3.354 20 0 CGADHM CC(C)[C@H]1CCCCN1C(=O)NCc1ccc([O-])c(F)c1 ZINC000163657786 372486832 /nfs/dbraw/zinc/48/68/32/372486832.db2.gz KMXSOPUIQGXAHX-CQSZACIVSA-N -1 3 294.370 3.251 20 0 CGADHM CC[C@H]1CCCN(C(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC000163726906 372490322 /nfs/dbraw/zinc/49/03/22/372490322.db2.gz MLPRUBLIPCQQFZ-LBPRGKRZSA-N -1 3 294.370 3.253 20 0 CGADHM Cc1ccc([O-])c(CN2CC(C)(C)[C@H]2c2ccncc2)n1 ZINC000293934992 372529754 /nfs/dbraw/zinc/52/97/54/372529754.db2.gz NUQXXVHPYVGQTG-MRXNPFEDSA-N -1 3 283.375 3.074 20 0 CGADHM O=C([O-])C1CCC(CNCc2cc(Cl)ccc2F)CC1 ZINC000165694170 372556523 /nfs/dbraw/zinc/55/65/23/372556523.db2.gz UIPZAIPGORRVIV-UHFFFAOYSA-N -1 3 299.773 3.460 20 0 CGADHM CC(C)CC(C)(C)C[N-]S(=O)(=O)c1cccs1 ZINC000433764357 372624333 /nfs/dbraw/zinc/62/43/33/372624333.db2.gz YSKDMHDMPCYJQZ-UHFFFAOYSA-N -1 3 275.439 3.099 20 0 CGADHM [O-]c1cccc(CN2C[C@@H]3CCC[C@@H]3C2)c1Cl ZINC000295217179 372705508 /nfs/dbraw/zinc/70/55/08/372705508.db2.gz BHEAHQADQUJHMT-PHIMTYICSA-N -1 3 251.757 3.278 20 0 CGADHM COC1CCC(N(C)Cc2cccc([O-])c2Cl)CC1 ZINC000295243775 372716501 /nfs/dbraw/zinc/71/65/01/372716501.db2.gz FGOMYROICRNPSC-UHFFFAOYSA-N -1 3 283.799 3.435 20 0 CGADHM CCN(Cc1cccc([O-])c1Cl)C[C@@H]1CCCO1 ZINC000295437816 372781552 /nfs/dbraw/zinc/78/15/52/372781552.db2.gz UGIAGOACPSXQOG-LBPRGKRZSA-N -1 3 269.772 3.047 20 0 CGADHM CC[C@H]1CCN1C(=O)CCc1ccc2ccccc2c1[O-] ZINC000295449977 372785636 /nfs/dbraw/zinc/78/56/36/372785636.db2.gz XIWUWPWDCLWEPR-HNNXBMFYSA-N -1 3 283.371 3.489 20 0 CGADHM CC(C)O[N-]C(=O)CCc1ccc2ccccc2c1 ZINC000295500001 372805845 /nfs/dbraw/zinc/80/58/45/372805845.db2.gz GJRLMQGAAKFYGC-UHFFFAOYSA-N -1 3 257.333 3.229 20 0 CGADHM CC(C)(C)Sc1ccc(NC(=O)c2cnn[n-]2)cc1F ZINC000295560123 372826987 /nfs/dbraw/zinc/82/69/87/372826987.db2.gz NPKOBTBPLVTDFY-UHFFFAOYSA-N -1 3 294.355 3.087 20 0 CGADHM CC(C)(C)Sc1ccc(NC(=O)c2c[n-]nn2)cc1F ZINC000295560123 372826997 /nfs/dbraw/zinc/82/69/97/372826997.db2.gz NPKOBTBPLVTDFY-UHFFFAOYSA-N -1 3 294.355 3.087 20 0 CGADHM CC(C)(C)Sc1ccc(NC(=O)c2cn[n-]n2)cc1F ZINC000295560123 372827005 /nfs/dbraw/zinc/82/70/05/372827005.db2.gz NPKOBTBPLVTDFY-UHFFFAOYSA-N -1 3 294.355 3.087 20 0 CGADHM COc1cccc(C(=O)N2CC3(CC3)c3ccccc32)c1[O-] ZINC000172433564 372963034 /nfs/dbraw/zinc/96/30/34/372963034.db2.gz HQVOGHFRGLVQLZ-UHFFFAOYSA-N -1 3 295.338 3.093 20 0 CGADHM CN(Cc1ccco1)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000344767513 217305705 /nfs/dbraw/zinc/30/57/05/217305705.db2.gz AKMMGCSUUUEREF-UHFFFAOYSA-N -1 3 291.322 3.106 20 0 CGADHM CC[C@H](C)C(=O)Nc1c(C)c(Br)ccc1[O-] ZINC000296250057 373068393 /nfs/dbraw/zinc/06/83/93/373068393.db2.gz XOMYXNGLJAXWAW-ZETCQYMHSA-N -1 3 286.169 3.448 20 0 CGADHM COc1ccc([O-])c(C(=O)N2[C@@H](C)C[C@H]3CCCC[C@@H]32)c1 ZINC000173051126 373085359 /nfs/dbraw/zinc/08/53/59/373085359.db2.gz PBPXLCXSNKNMQV-ZOWXZIJZSA-N -1 3 289.375 3.194 20 0 CGADHM O=C(CCCC1CCCC1)Nc1nnc(-c2ccccn2)[n-]1 ZINC000173751051 373186401 /nfs/dbraw/zinc/18/64/01/373186401.db2.gz LOSKCXHAURMAKE-UHFFFAOYSA-N -1 3 299.378 3.166 20 0 CGADHM O=C(CCCC1CCCC1)Nc1nc(-c2ccccn2)n[n-]1 ZINC000173751051 373186405 /nfs/dbraw/zinc/18/64/05/373186405.db2.gz LOSKCXHAURMAKE-UHFFFAOYSA-N -1 3 299.378 3.166 20 0 CGADHM O=C(CCCC1CCCC1)Nc1n[n-]c(-c2ccccn2)n1 ZINC000173751051 373186413 /nfs/dbraw/zinc/18/64/13/373186413.db2.gz LOSKCXHAURMAKE-UHFFFAOYSA-N -1 3 299.378 3.166 20 0 CGADHM O=C(c1ccccc1[O-])N1CCC[C@H]1c1ccsc1 ZINC000298753704 373400171 /nfs/dbraw/zinc/40/01/71/373400171.db2.gz PAFNCHLSDJMJMQ-ZDUSSCGKSA-N -1 3 273.357 3.431 20 0 CGADHM CC(=C([O-])Nc1cc(C2(C)CCCC2)on1)C(F)(F)F ZINC000448413576 373577348 /nfs/dbraw/zinc/57/73/48/373577348.db2.gz KLZWZCAWXJNZMV-QMMMGPOBSA-N -1 3 290.285 3.065 20 0 CGADHM Cc1ccccc1[C@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC000299698699 373601416 /nfs/dbraw/zinc/60/14/16/373601416.db2.gz UPVOFOKVIBUCFK-AWEZNQCLSA-N -1 3 281.355 3.330 20 0 CGADHM CC(C)c1noc([N-][C@@H]2CCc3ccc(F)cc32)n1 ZINC000301328452 373746245 /nfs/dbraw/zinc/74/62/45/373746245.db2.gz JJTSDPNNUXCEMW-GFCCVEGCSA-N -1 3 261.300 3.432 20 0 CGADHM O=C(Nc1ccccc1[O-])c1cnc2ccc(F)cc2c1 ZINC000179044868 373831426 /nfs/dbraw/zinc/83/14/26/373831426.db2.gz XKGHIJZYKNLMMB-UHFFFAOYSA-N -1 3 282.274 3.332 20 0 CGADHM Cc1cccc([O-])c1NC(=O)COc1ccc(Cl)cc1 ZINC000179548984 373886128 /nfs/dbraw/zinc/88/61/28/373886128.db2.gz AXFCZCMDUJEPGK-UHFFFAOYSA-N -1 3 291.734 3.372 20 0 CGADHM C[C@@H]1CCN(Cc2ccc(F)cc2C(=O)[O-])[C@H](C)C1 ZINC000071264832 541895820 /nfs/dbraw/zinc/89/58/20/541895820.db2.gz YEEHXIOCOCLQMB-GHMZBOCLSA-N -1 3 265.328 3.144 20 0 CGADHM CCC[C@H]1CCC[C@@H]1C(=O)N=c1cc(-c2ccncc2)[n-][nH]1 ZINC000449836117 373940019 /nfs/dbraw/zinc/94/00/19/373940019.db2.gz RSLCJOJFYNPIPB-JSGCOSHPSA-N -1 3 298.390 3.049 20 0 CGADHM Cc1cccc(C(=O)Nc2cnc(C(C)(C)C)nc2)c1[O-] ZINC000302985507 374007949 /nfs/dbraw/zinc/00/79/49/374007949.db2.gz FZAFQAJDRODMNA-UHFFFAOYSA-N -1 3 285.347 3.040 20 0 CGADHM COc1c(C)cc(C(=O)Nc2cc(F)ccc2[O-])cc1C ZINC000180489825 374014987 /nfs/dbraw/zinc/01/49/87/374014987.db2.gz LAGWJGVJFVQTGT-UHFFFAOYSA-N -1 3 289.306 3.409 20 0 CGADHM CC(=O)c1[n-]c(=N[C@H](C)Cc2cccs2)sc1C ZINC000450241150 374016417 /nfs/dbraw/zinc/01/64/17/374016417.db2.gz KCNMAHRLOVYTSG-MRVPVSSYSA-N -1 3 280.418 3.181 20 0 CGADHM Cc1ccc(C(=O)NC[C@@H](C)Oc2ccccc2C)c([O-])c1 ZINC000303960885 374034324 /nfs/dbraw/zinc/03/43/24/374034324.db2.gz NGRNWTIOKVFCLD-CQSZACIVSA-N -1 3 299.370 3.206 20 0 CGADHM O=C(CSc1ncccc1Cl)Nc1ccccc1[O-] ZINC000180690410 374036693 /nfs/dbraw/zinc/03/66/93/374036693.db2.gz QKBGUYQGCCWZPG-UHFFFAOYSA-N -1 3 294.763 3.171 20 0 CGADHM O=C(Nc1ncccc1[O-])C1(c2cccc(Cl)c2)CC1 ZINC000180999143 374068364 /nfs/dbraw/zinc/06/83/64/374068364.db2.gz DXYKSRBYHWGCQM-UHFFFAOYSA-N -1 3 288.734 3.111 20 0 CGADHM CCS[C@@H]1CCC[C@@H]1N=c1[n-]c(C(C)=O)c(C)s1 ZINC000450368773 374085504 /nfs/dbraw/zinc/08/55/04/374085504.db2.gz JVTQEULNBSNYOH-WDEREUQCSA-N -1 3 284.450 3.162 20 0 CGADHM O=C(Nc1ccc(OC(F)F)c(F)c1)c1cccc([O-])c1 ZINC000182132795 374225599 /nfs/dbraw/zinc/22/55/99/374225599.db2.gz LENSHOHJRWNWDP-UHFFFAOYSA-N -1 3 297.232 3.385 20 0 CGADHM CC1(C)CN(C(=O)Cc2ccc([O-])c(F)c2)[C@@H]2CCC[C@@H]21 ZINC000452154370 374254901 /nfs/dbraw/zinc/25/49/01/374254901.db2.gz HYQGUYQMLICATP-GXTWGEPZSA-N -1 3 291.366 3.111 20 0 CGADHM COc1ccccc1[C@H]1CCCN1C(=O)c1cccc([O-])c1 ZINC000182321207 374258801 /nfs/dbraw/zinc/25/88/01/374258801.db2.gz MAHMRUVBAVANSG-MRXNPFEDSA-N -1 3 297.354 3.378 20 0 CGADHM O=C(NCC1(Sc2ccccc2)CC1)c1cccc([O-])c1 ZINC000182415507 374269858 /nfs/dbraw/zinc/26/98/58/374269858.db2.gz WLQIYDJRWXFHMG-UHFFFAOYSA-N -1 3 299.395 3.447 20 0 CGADHM CN(Cc1ccc(F)cc1Cl)C(=O)c1cccc([O-])c1 ZINC000182397391 374270700 /nfs/dbraw/zinc/27/07/00/374270700.db2.gz MJOCMKPIJGBKQR-UHFFFAOYSA-N -1 3 293.725 3.457 20 0 CGADHM O=C(/C=C\c1ccc(F)c(Cl)c1)[N-]OCC(F)(F)F ZINC000311253753 374236628 /nfs/dbraw/zinc/23/66/28/374236628.db2.gz KFEMOJQLBZZKBE-RQOWECAXSA-N -1 3 297.635 3.102 20 0 CGADHM O=C(c1cccc([O-])c1)N1CC[C@H](Cc2ccccc2)C1 ZINC000182499495 374281662 /nfs/dbraw/zinc/28/16/62/374281662.db2.gz CZNZAGJJHIJSOF-OAHLLOKOSA-N -1 3 281.355 3.097 20 0 CGADHM C[C@@H](CNC(=O)c1cccc([O-])c1)Sc1ccccc1 ZINC000182521172 374285578 /nfs/dbraw/zinc/28/55/78/374285578.db2.gz PTRHNLQRSGYCOL-LBPRGKRZSA-N -1 3 287.384 3.303 20 0 CGADHM CN(Cc1cccc([O-])c1Br)C(C)(C)C ZINC000315771318 374332195 /nfs/dbraw/zinc/33/21/95/374332195.db2.gz CZDLCXLEOGQIAQ-UHFFFAOYSA-N -1 3 272.186 3.385 20 0 CGADHM Cc1cccc([O-])c1NC(=O)c1ccc(F)c(F)c1F ZINC000183029771 374357655 /nfs/dbraw/zinc/35/76/55/374357655.db2.gz SADOOPXPTDJZMQ-UHFFFAOYSA-N -1 3 281.233 3.370 20 0 CGADHM O=C([O-])[C@@]1(C(F)(F)F)CCN([C@H]2CCc3ccccc32)C1 ZINC000086773205 541940071 /nfs/dbraw/zinc/94/00/71/541940071.db2.gz WFZZSGFUDNIGMQ-GXTWGEPZSA-N -1 3 299.292 3.013 20 0 CGADHM C[C@H]1C[C@@H]1c1ccc(CN2CCC(C)(C(=O)[O-])CC2)o1 ZINC000086776662 541940461 /nfs/dbraw/zinc/94/04/61/541940461.db2.gz BHYCAMXCKVMTNG-AAEUAGOBSA-N -1 3 277.364 3.090 20 0 CGADHM C[C@@H]1C[C@@H]1c1ccc(CN2CCC(CCC(=O)[O-])CC2)o1 ZINC000086755824 541941172 /nfs/dbraw/zinc/94/11/72/541941172.db2.gz QLWJSUBNPXEVKZ-DOMZBBRYSA-N -1 3 291.391 3.480 20 0 CGADHM C[C@H](CC(=O)NCc1ncccc1[O-])C1CCCCC1 ZINC000331027846 374498005 /nfs/dbraw/zinc/49/80/05/374498005.db2.gz WGQLVTFCKOLKKB-GFCCVEGCSA-N -1 3 276.380 3.010 20 0 CGADHM CC(C)c1ccc(C(=O)Nc2ncccc2[O-])s1 ZINC000184144224 374499059 /nfs/dbraw/zinc/49/90/59/374499059.db2.gz AULUPDGKXSKPCG-UHFFFAOYSA-N -1 3 262.334 3.224 20 0 CGADHM CC(C)c1ccc(C(=O)N[C@@H]2C[C@H](C)n3ccnc32)c([O-])c1 ZINC000456440220 374544326 /nfs/dbraw/zinc/54/43/26/374544326.db2.gz YKBBCKBQFQFKKP-SMDDNHRTSA-N -1 3 299.374 3.148 20 0 CGADHM COc1cccc([C@H]2C[C@H](NC(=O)c3cccc([O-])c3)C2)c1 ZINC000456517677 374560114 /nfs/dbraw/zinc/56/01/14/374560114.db2.gz CPCDOUCPWCJCDC-SHTZXODSSA-N -1 3 297.354 3.077 20 0 CGADHM Cc1occc1CN(C)C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000185433793 374662159 /nfs/dbraw/zinc/66/21/59/374662159.db2.gz GWMLFDSPCSKUJA-UHFFFAOYSA-N -1 3 299.370 3.445 20 0 CGADHM Cc1noc(C)c1[N-]C(=O)c1ccc(Cl)s1 ZINC000334359185 374683054 /nfs/dbraw/zinc/68/30/54/374683054.db2.gz VMMDERUBVBOQOD-UHFFFAOYSA-N -1 3 256.714 3.259 20 0 CGADHM O=C(N[C@H]1CCC[C@@H]2C[C@@H]21)c1cc([O-])ccc1C(F)(F)F ZINC000458307915 374758120 /nfs/dbraw/zinc/75/81/20/374758120.db2.gz UVCBBKBRHMOZSD-DVYJOKAKSA-N -1 3 299.292 3.329 20 0 CGADHM O=C(c1ccc(O)cc1[O-])N1CCC=C(c2ccccc2)C1 ZINC000334246583 206252107 /nfs/dbraw/zinc/25/21/07/206252107.db2.gz USJJBNXUGBDWHP-UHFFFAOYSA-N -1 3 295.338 3.027 20 0 CGADHM CCC1(c2ccccc2)CN(C(=O)c2ccccc2[O-])C1 ZINC000458236368 374730747 /nfs/dbraw/zinc/73/07/47/374730747.db2.gz WINBZRJWTVDJPK-UHFFFAOYSA-N -1 3 281.355 3.196 20 0 CGADHM CC1(C)CCC[C@H]1C(=O)Nc1cccc([O-])c1F ZINC000334535228 374831522 /nfs/dbraw/zinc/83/15/22/374831522.db2.gz PXSAANGCTVKRGZ-VIFPVBQESA-N -1 3 251.301 3.296 20 0 CGADHM [O-]c1cc(F)cc(CN2CCS[C@@H]3CCCC[C@@H]32)c1 ZINC000186245617 374819849 /nfs/dbraw/zinc/81/98/49/374819849.db2.gz GYAMDSHIRZKABB-LSDHHAIUSA-N -1 3 281.396 3.391 20 0 CGADHM CCCCn1cc(C(=O)Nc2c(C)cccc2[O-])c(C)n1 ZINC000186305120 374830323 /nfs/dbraw/zinc/83/03/23/374830323.db2.gz ZHSRQPRRZBVDLI-UHFFFAOYSA-N -1 3 287.363 3.258 20 0 CGADHM C[C@H](c1ccccn1)N(C)Cc1cc([O-])cc(F)c1 ZINC000186404682 374844615 /nfs/dbraw/zinc/84/46/15/374844615.db2.gz IKCLEHUHBRXOTA-LLVKDONJSA-N -1 3 260.312 3.119 20 0 CGADHM Cc1nc([C@H]2CCCN2C(=O)c2ccccc2[O-])cs1 ZINC000187057653 374963529 /nfs/dbraw/zinc/96/35/29/374963529.db2.gz YLNKXPPBJWWITH-CYBMUJFWSA-N -1 3 288.372 3.134 20 0 CGADHM CCc1ccc([C@H](C)CC(=O)NCc2ncccc2[O-])cc1 ZINC000473625097 375055797 /nfs/dbraw/zinc/05/57/97/375055797.db2.gz BVDZILKNXJMKTN-CYBMUJFWSA-N -1 3 298.386 3.160 20 0 CGADHM CC(=O)Nc1cccc(C(=O)Nc2ccc(C)cc2[O-])c1C ZINC000188219359 375178473 /nfs/dbraw/zinc/17/84/73/375178473.db2.gz OZGORRZDPTXNIZ-UHFFFAOYSA-N -1 3 298.342 3.220 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)c2cnn(C(C)C)c2)c1[O-] ZINC000188671017 375249719 /nfs/dbraw/zinc/24/97/19/375249719.db2.gz DIAJJMRPOKPLLY-UHFFFAOYSA-N -1 3 293.754 3.384 20 0 CGADHM O=C(c1csc(=O)[n-]1)N1CCCC2(C1)CCCCCC2 ZINC000335683248 375342962 /nfs/dbraw/zinc/34/29/62/375342962.db2.gz OWENGGLMBOIHPB-UHFFFAOYSA-N -1 3 294.420 3.425 20 0 CGADHM O=C(NCc1ccc([O-])c(F)c1)c1cc2sccc2[nH]1 ZINC000189319383 375365727 /nfs/dbraw/zinc/36/57/27/375365727.db2.gz YFTFQYSZTQUDSG-UHFFFAOYSA-N -1 3 290.319 3.004 20 0 CGADHM Cc1nc(CC(C)C)oc1C(=O)Nc1ccc(C)cc1[O-] ZINC000190004804 375468515 /nfs/dbraw/zinc/46/85/15/375468515.db2.gz UGDVQVSMKSZOMN-UHFFFAOYSA-N -1 3 288.347 3.448 20 0 CGADHM [O-]c1cc(F)cc(CN[C@H]2CSc3ccccc32)c1 ZINC000335767698 375414688 /nfs/dbraw/zinc/41/46/88/375414688.db2.gz ZMALKRYJNXZWJI-AWEZNQCLSA-N -1 3 275.348 3.468 20 0 CGADHM CCC[C@H](NC(=O)c1cccc2nn[n-]c21)c1ccccc1 ZINC000189696889 375436501 /nfs/dbraw/zinc/43/65/01/375436501.db2.gz GMKVAJLYJHMBHR-AWEZNQCLSA-N -1 3 294.358 3.229 20 0 CGADHM CCC[C@H](NC(=O)c1cccc2[n-]nnc21)c1ccccc1 ZINC000189696889 375436509 /nfs/dbraw/zinc/43/65/09/375436509.db2.gz GMKVAJLYJHMBHR-AWEZNQCLSA-N -1 3 294.358 3.229 20 0 CGADHM CCC[C@H](NC(=O)c1cccc2n[n-]nc21)c1ccccc1 ZINC000189696889 375436515 /nfs/dbraw/zinc/43/65/15/375436515.db2.gz GMKVAJLYJHMBHR-AWEZNQCLSA-N -1 3 294.358 3.229 20 0 CGADHM O=C(/C=C/c1cccc2ccccc12)[N-]OCC(F)(F)F ZINC000492178571 375438045 /nfs/dbraw/zinc/43/80/45/375438045.db2.gz DZMAGOMVIQSUEM-CMDGGOBGSA-N -1 3 295.260 3.463 20 0 CGADHM C[C@@H]1CCN(C(=O)/C=C\c2ccncc2)c2c([O-])cccc21 ZINC000492597824 375447398 /nfs/dbraw/zinc/44/73/98/375447398.db2.gz SIMIJPSKGNGJSM-CFHLNLSMSA-N -1 3 294.354 3.341 20 0 CGADHM CCc1ccc(C(=O)N(C)[C@H](C)c2cccnc2)c([O-])c1 ZINC000190564994 375520336 /nfs/dbraw/zinc/52/03/36/375520336.db2.gz OWZOBHXLCWXXSN-GFCCVEGCSA-N -1 3 284.359 3.183 20 0 CGADHM Cn1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2[O-])c1 ZINC000335933302 375548762 /nfs/dbraw/zinc/54/87/62/375548762.db2.gz TUGRYEMAVVNYFW-UHFFFAOYSA-N -1 3 284.237 3.002 20 0 CGADHM CCCOc1cc(F)ccc1NC(=O)[N-]c1cnns1 ZINC000192334033 375732688 /nfs/dbraw/zinc/73/26/88/375732688.db2.gz RPQVBIOHBDLIKJ-UHFFFAOYSA-N -1 3 296.327 3.110 20 0 CGADHM CCC(CC)CN(CC)[C@H](C)c1nc(C)cc(=O)[n-]1 ZINC000192541068 375762011 /nfs/dbraw/zinc/76/20/11/375762011.db2.gz HIWCVEMPADTDDL-GFCCVEGCSA-N -1 3 265.401 3.310 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N2C[C@H](C)[C@@H]2c2ccccc2)n1 ZINC000192612792 375770953 /nfs/dbraw/zinc/77/09/53/375770953.db2.gz HAXSNTSIQGCFSY-DETPVDSQSA-N -1 3 283.375 3.245 20 0 CGADHM O=C(N[C@@H]1C[C@@H]1C1CCCCC1)c1cccc([O-])c1 ZINC000509119661 375771681 /nfs/dbraw/zinc/77/16/81/375771681.db2.gz BHMATFQQONNSMC-HUUCEWRRSA-N -1 3 259.349 3.091 20 0 CGADHM O=C(N[C@H]1C[C@@H]1C1CCCCC1)c1cccc([O-])c1 ZINC000509119659 375771751 /nfs/dbraw/zinc/77/17/51/375771751.db2.gz BHMATFQQONNSMC-CABCVRRESA-N -1 3 259.349 3.091 20 0 CGADHM CC(C)C1CCN(C(=O)Cc2ccc([O-])cc2Cl)CC1 ZINC000509113449 375771930 /nfs/dbraw/zinc/77/19/30/375771930.db2.gz SPOTUWLRRDMHEH-UHFFFAOYSA-N -1 3 295.810 3.483 20 0 CGADHM C[C@H]1CCC[C@H](C)N(C(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC000336526652 375806519 /nfs/dbraw/zinc/80/65/19/375806519.db2.gz JWPOTEHYDHDBLQ-STQMWFEESA-N -1 3 298.386 3.179 20 0 CGADHM C[C@@H]1CCC[C@H](C)N(C(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC000336526650 375807104 /nfs/dbraw/zinc/80/71/04/375807104.db2.gz JWPOTEHYDHDBLQ-OLZOCXBDSA-N -1 3 298.386 3.179 20 0 CGADHM Cc1cccc(C(=O)N2CC3(CCC3)C[C@H]2C)c1[O-] ZINC000336538180 375815705 /nfs/dbraw/zinc/81/57/05/375815705.db2.gz AYFOSIFPDFGUBG-GFCCVEGCSA-N -1 3 259.349 3.105 20 0 CGADHM COc1cc(C(=O)N2CCCC[C@H]2C(C)C)ccc1[O-] ZINC000336540064 375817399 /nfs/dbraw/zinc/81/73/99/375817399.db2.gz XXVTWTSDRRJOKZ-ZDUSSCGKSA-N -1 3 277.364 3.052 20 0 CGADHM COc1ccc(C)cc1C[S@](=O)c1ccc([O-])cc1 ZINC000519395540 375836026 /nfs/dbraw/zinc/83/60/26/375836026.db2.gz OVBNOEVUTHFORE-IBGZPJMESA-N -1 3 276.357 3.017 20 0 CGADHM [O-]c1cccnc1CN1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000520458999 375856681 /nfs/dbraw/zinc/85/66/81/375856681.db2.gz KTDZPTTYLFKQNI-HNNXBMFYSA-N -1 3 294.358 3.001 20 0 CGADHM O=C(Nc1ccc(Cl)cc1[O-])c1sccc1F ZINC000336594650 375861431 /nfs/dbraw/zinc/86/14/31/375861431.db2.gz MERUKCSMXLAXJF-UHFFFAOYSA-N -1 3 271.700 3.499 20 0 CGADHM COC(=O)c1cnc(SCc2c(C)cccc2C)[n-]1 ZINC000193544480 375893446 /nfs/dbraw/zinc/89/34/46/375893446.db2.gz CONGPULAZRIQOO-UHFFFAOYSA-N -1 3 276.361 3.105 20 0 CGADHM Cc1cc(C(=O)N[C@@H]2CC3CCC2CC3)ccc1[O-] ZINC000336817795 375972239 /nfs/dbraw/zinc/97/22/39/375972239.db2.gz RXBCTIUNFNPBDE-ORHYLEIMSA-N -1 3 259.349 3.009 20 0 CGADHM C[C@@H](CC(=O)Nc1cccc([O-])c1F)c1cccnc1 ZINC000534945816 376007634 /nfs/dbraw/zinc/00/76/34/376007634.db2.gz NUUPQCUALQHHIC-JTQLQIEISA-N -1 3 274.295 3.059 20 0 CGADHM C[C@H](Oc1ccccc1F)C(=O)Nc1cccc([O-])c1F ZINC000536462200 376091239 /nfs/dbraw/zinc/09/12/39/376091239.db2.gz GPTQIDZSPDUMTA-VIFPVBQESA-N -1 3 293.269 3.076 20 0 CGADHM Cc1ccc(NC(=O)[C@@H]2CCCc3cccnc32)c([O-])c1 ZINC000195315336 376096221 /nfs/dbraw/zinc/09/62/21/376096221.db2.gz HOYDWIJZORVTEZ-CYBMUJFWSA-N -1 3 282.343 3.154 20 0 CGADHM C[C@@H](N[C@@H](C)C(=O)[O-])c1cccc(Cl)c1Cl ZINC000223833270 376264299 /nfs/dbraw/zinc/26/42/99/376264299.db2.gz UUPRTKQMXDXNSA-RQJHMYQMSA-N -1 3 262.136 3.117 20 0 CGADHM Cc1ccc2c(CN3CC[C@@](C)(F)C3)ccc([O-])c2n1 ZINC000338276523 376309078 /nfs/dbraw/zinc/30/90/78/376309078.db2.gz ATBRZXFFALQZEO-MRXNPFEDSA-N -1 3 274.339 3.183 20 0 CGADHM Cc1cc(C(=O)NCc2ccc(F)c(Cl)c2)ccc1[O-] ZINC000226717504 376369812 /nfs/dbraw/zinc/36/98/12/376369812.db2.gz POPZSKPRPCKGEJ-UHFFFAOYSA-N -1 3 293.725 3.423 20 0 CGADHM Cc1cc(C(=O)N(C)[C@H]2CCC[C@H](C)C2)ccc1[O-] ZINC000227017585 376377460 /nfs/dbraw/zinc/37/74/60/376377460.db2.gz JICZGFHIDAMKHL-FZMZJTMJSA-N -1 3 261.365 3.351 20 0 CGADHM CCc1ccc(CSc2n[n-]c(-c3ccccn3)n2)nc1 ZINC000338554597 376425726 /nfs/dbraw/zinc/42/57/26/376425726.db2.gz XGQWUHPBFPUIDY-UHFFFAOYSA-N -1 3 297.387 3.116 20 0 CGADHM CCCC[C@@H](NCc1cc(Cl)cc2c1OCC2)C(=O)[O-] ZINC000262707222 190061499 /nfs/dbraw/zinc/06/14/99/190061499.db2.gz NLQPDSIUQZQMDJ-CYBMUJFWSA-N -1 3 297.782 3.008 20 0 CGADHM CCCc1cc(C(=O)Nc2nnc(SC)[n-]2)sc1C ZINC000263874856 190083009 /nfs/dbraw/zinc/08/30/09/190083009.db2.gz OWZQYQYILIQMOA-UHFFFAOYSA-N -1 3 296.421 3.101 20 0 CGADHM CCCc1cc(C(=O)Nc2nc(SC)n[n-]2)sc1C ZINC000263874856 190083010 /nfs/dbraw/zinc/08/30/10/190083010.db2.gz OWZQYQYILIQMOA-UHFFFAOYSA-N -1 3 296.421 3.101 20 0 CGADHM CCCc1cc(C(=O)Nc2n[n-]c(SC)n2)sc1C ZINC000263874856 190083011 /nfs/dbraw/zinc/08/30/11/190083011.db2.gz OWZQYQYILIQMOA-UHFFFAOYSA-N -1 3 296.421 3.101 20 0 CGADHM CC(C)(C)c1nsc([N-]C(=O)c2cccc(Cl)n2)n1 ZINC000263896319 190083955 /nfs/dbraw/zinc/08/39/55/190083955.db2.gz ALMLDRFIEIQJRD-UHFFFAOYSA-N -1 3 296.783 3.136 20 0 CGADHM CC[C@H]1CC[C@@H](C)N1C(=O)c1cc([O-])ccc1Cl ZINC000234094409 376610535 /nfs/dbraw/zinc/61/05/35/376610535.db2.gz QAZXKAFTLOVEQX-ZJUUUORDSA-N -1 3 267.756 3.449 20 0 CGADHM O=C(CCCn1cccc1)Nc1ccc(Cl)cc1[O-] ZINC000339007798 376625969 /nfs/dbraw/zinc/62/59/69/376625969.db2.gz WYRNTNHCDBIKQW-UHFFFAOYSA-N -1 3 278.739 3.266 20 0 CGADHM C[C@@H]1CCN(C(=O)c2cc([O-])ccc2Cl)C[C@H]1C ZINC000235352771 376638909 /nfs/dbraw/zinc/63/89/09/376638909.db2.gz KHKVPFOVHVYHRW-NXEZZACHSA-N -1 3 267.756 3.164 20 0 CGADHM C[C@H](CC(F)(F)F)NC(=O)c1cc([O-])ccc1Cl ZINC000235437204 376641316 /nfs/dbraw/zinc/64/13/16/376641316.db2.gz WFUQZSZXWBEJBO-ZCFIWIBFSA-N -1 3 281.661 3.116 20 0 CGADHM C[C@@H]1CC[C@H](C)CN1C(=O)c1cc([O-])ccc1Cl ZINC000235650769 376647138 /nfs/dbraw/zinc/64/71/38/376647138.db2.gz ZZKUCHINYRYQFV-VHSXEESVSA-N -1 3 267.756 3.306 20 0 CGADHM COc1ccc(NC(=O)c2cccn2C(C)C)c([O-])c1 ZINC000135418396 542087377 /nfs/dbraw/zinc/08/73/77/542087377.db2.gz FUUCIBKYHAEQFG-UHFFFAOYSA-N -1 3 274.320 3.036 20 0 CGADHM COc1ccc(NC(=O)c2cc(F)ccc2C)c([O-])c1 ZINC000135419565 542088397 /nfs/dbraw/zinc/08/83/97/542088397.db2.gz RSRNERGQKIEANL-UHFFFAOYSA-N -1 3 275.279 3.101 20 0 CGADHM C[C@H](C(=O)Nc1cc(Cl)ccc1[O-])C(F)(F)F ZINC000334415661 206500200 /nfs/dbraw/zinc/50/02/00/206500200.db2.gz NFPJNMNJRRKQHD-RXMQYKEDSA-N -1 3 267.634 3.183 20 0 CGADHM C[C@@H]1CCC[C@@H]1CNC(=O)Cc1ccc([O-])cc1Cl ZINC000340084994 376912573 /nfs/dbraw/zinc/91/25/73/376912573.db2.gz IXUUHKZZNUYCIS-ZYHUDNBSSA-N -1 3 281.783 3.141 20 0 CGADHM CCO[C@H](C)c1ncc(C(=O)Nc2ccccc2[O-])s1 ZINC000340103765 376916303 /nfs/dbraw/zinc/91/63/03/376916303.db2.gz ZZDMRVBWTZXBGY-SECBINFHSA-N -1 3 292.360 3.199 20 0 CGADHM CCc1cc(C(=O)N(C)CC2CCCC2)ccc1[O-] ZINC000557580835 376945034 /nfs/dbraw/zinc/94/50/34/376945034.db2.gz FMEKLXKYNRQIID-UHFFFAOYSA-N -1 3 261.365 3.217 20 0 CGADHM CCCN(Cc1nc(=O)c2sccc2[n-]1)C(C)C ZINC000557651168 376951455 /nfs/dbraw/zinc/95/14/55/376951455.db2.gz GUQBOEXEGMYUPN-UHFFFAOYSA-N -1 3 265.382 3.017 20 0 CGADHM CCC(=O)c1ccc(C(=O)Nc2cc(OC)ccc2[O-])cc1 ZINC000340311256 376995169 /nfs/dbraw/zinc/99/51/69/376995169.db2.gz AIDZYCWHJVXHFV-UHFFFAOYSA-N -1 3 299.326 3.246 20 0 CGADHM CCc1cc(=O)[n-]c(CN2C[C@@H](c3ccccc3)C[C@H]2C)n1 ZINC000246642551 377066411 /nfs/dbraw/zinc/06/64/11/377066411.db2.gz OXEIRTFTENEKQP-HIFRSBDPSA-N -1 3 297.402 3.123 20 0 CGADHM [O-]c1ccc(F)c(CNc2ccc3n[nH]cc3c2)c1F ZINC000340562126 377146673 /nfs/dbraw/zinc/14/66/73/377146673.db2.gz VUIKEXWXEQPXDU-UHFFFAOYSA-N -1 3 275.258 3.159 20 0 CGADHM CC(C)Oc1cccc([C@H](C)NCc2ncccc2[O-])c1 ZINC000561951339 377254958 /nfs/dbraw/zinc/25/49/58/377254958.db2.gz OXOAKGKEZBPOCR-ZDUSSCGKSA-N -1 3 286.375 3.425 20 0 CGADHM O=C([O-])C[C@@H]1CCCN(CCc2cccc(Cl)c2)C1 ZINC000560927337 377200076 /nfs/dbraw/zinc/20/00/76/377200076.db2.gz JCJLXVMXNYKDEE-ZDUSSCGKSA-N -1 3 281.783 3.069 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCC[C@@H](CC(C)C)C2)n1 ZINC000562503111 377318901 /nfs/dbraw/zinc/31/89/01/377318901.db2.gz ZUBPNDLLPLCKGM-KGLIPLIRSA-N -1 3 277.412 3.310 20 0 CGADHM COc1ccc(CN=c2[n-]c(C(C)=O)c(C)s2)c(C)c1 ZINC000562529998 377325324 /nfs/dbraw/zinc/32/53/24/377325324.db2.gz ZMXQMDPPSKSIKH-UHFFFAOYSA-N -1 3 290.388 3.005 20 0 CGADHM CC[C@@H](C)c1cc(C(=O)[N-]c2ncc(COC)s2)on1 ZINC000340831231 377277259 /nfs/dbraw/zinc/27/72/59/377277259.db2.gz ISONOWAYRJOSGY-MRVPVSSYSA-N -1 3 295.364 3.043 20 0 CGADHM CCC[C@H]1CCCN([C@H](C)c2nc(C)cc(=O)[n-]2)C1 ZINC000248752643 377395676 /nfs/dbraw/zinc/39/56/76/377395676.db2.gz OUYXMYFVUUKWDM-OLZOCXBDSA-N -1 3 263.385 3.064 20 0 CGADHM CCCN(Cc1cc(C(=O)[O-])oc1C)C[C@H]1CCCCO1 ZINC000563278556 377432049 /nfs/dbraw/zinc/43/20/49/377432049.db2.gz XSRLNKZFWYQATC-CQSZACIVSA-N -1 3 295.379 3.067 20 0 CGADHM C[C@@H]1CC[C@H](C)N1Cc1cc(C(=O)[O-])ccc1Cl ZINC000563283997 377435260 /nfs/dbraw/zinc/43/52/60/377435260.db2.gz QKRLEVMDIGXFMF-AOOOYVTPSA-N -1 3 267.756 3.411 20 0 CGADHM CCSCC[C@@H](C)N(C)Cc1ccc(C(=O)[O-])c(F)c1 ZINC000563455114 377470549 /nfs/dbraw/zinc/47/05/49/377470549.db2.gz ZPIGLXJTHLVVNH-LLVKDONJSA-N -1 3 299.411 3.487 20 0 CGADHM Cc1cc([N-]C(=O)c2cnc(Cc3ccccc3)s2)no1 ZINC000087006880 249020210 /nfs/dbraw/zinc/02/02/10/249020210.db2.gz FOQMNUFVWJFZIM-UHFFFAOYSA-N -1 3 299.355 3.283 20 0 CGADHM C[C@H](CCC(=O)[O-])NCc1cc(Cl)sc1Cl ZINC000312670623 249081488 /nfs/dbraw/zinc/08/14/88/249081488.db2.gz RLOKPYDBPFTEDQ-ZCFIWIBFSA-N -1 3 282.192 3.398 20 0 CGADHM Cc1cc(C)nc(-c2noc(-c3ccccc3[O-])n2)c1 ZINC000312890257 249083087 /nfs/dbraw/zinc/08/30/87/249083087.db2.gz QTPDPKMTLXIBGN-UHFFFAOYSA-N -1 3 267.288 3.121 20 0 CGADHM CC[C@@H](C)CNCc1cccc([O-])c1Br ZINC000315079515 249097931 /nfs/dbraw/zinc/09/79/31/249097931.db2.gz SZNHQVAKCQIWGT-SECBINFHSA-N -1 3 272.186 3.290 20 0 CGADHM C[C@H](c1ccccc1)[C@H](C)NCc1nc(C(=O)[O-])cs1 ZINC000514608493 249182179 /nfs/dbraw/zinc/18/21/79/249182179.db2.gz SOGNEMQIXFEANE-QWRGUYRKSA-N -1 3 290.388 3.123 20 0 CGADHM CCC[C@@H](CC)S(=O)(=O)[N-]c1ccc(F)c(F)c1F ZINC000514908062 249193604 /nfs/dbraw/zinc/19/36/04/249193604.db2.gz FUIBHRMZKCSEQZ-MRVPVSSYSA-N -1 3 295.326 3.424 20 0 CGADHM Cc1cccc(CN(Cc2ccccc2)C[C@H](C)C(=O)[O-])n1 ZINC000515067092 249200519 /nfs/dbraw/zinc/20/05/19/249200519.db2.gz YXGLGCOWANYESX-AWEZNQCLSA-N -1 3 298.386 3.113 20 0 CGADHM Cc1cccc(C(=O)N2CCC[C@@H]2c2ccccn2)c1[O-] ZINC000516203223 249228833 /nfs/dbraw/zinc/22/88/33/249228833.db2.gz DMRPINOZDVTBOC-OAHLLOKOSA-N -1 3 282.343 3.073 20 0 CGADHM Cc1ccccc1[C@@]1(F)CCN(Cc2ncccc2[O-])C1 ZINC000574001158 377605709 /nfs/dbraw/zinc/60/57/09/377605709.db2.gz BLXQPYMQBKHFPR-QGZVFWFLSA-N -1 3 286.350 3.166 20 0 CGADHM Cc1cccc(C(=O)N[C@H](C)c2ccc(F)cc2F)c1[O-] ZINC000255951991 377787921 /nfs/dbraw/zinc/78/79/21/377787921.db2.gz LPCYEJFBFCRLCT-SNVBAGLBSA-N -1 3 291.297 3.470 20 0 CGADHM Cc1ccc([O-])c(C(=O)N[C@H]2CCCc3cc(N)ccc32)c1 ZINC000262103678 377885736 /nfs/dbraw/zinc/88/57/36/377885736.db2.gz JCYAARCCHQBPEO-INIZCTEOSA-N -1 3 296.370 3.090 20 0 CGADHM Cc1ccc([O-])c(C(=O)N[C@@H]2CCCc3cc(N)ccc32)c1 ZINC000262103680 377886428 /nfs/dbraw/zinc/88/64/28/377886428.db2.gz JCYAARCCHQBPEO-MRXNPFEDSA-N -1 3 296.370 3.090 20 0 CGADHM O=C(NCC1(c2ccccc2)CCC1)c1cccc([O-])c1 ZINC000343058141 377891888 /nfs/dbraw/zinc/89/18/88/377891888.db2.gz DZVSMUMANUFVRT-UHFFFAOYSA-N -1 3 281.355 3.244 20 0 CGADHM Cc1n[nH]c(C)c1[C@H]1CCCN1Cc1cccc(C(=O)[O-])c1 ZINC000263405041 377932341 /nfs/dbraw/zinc/93/23/41/377932341.db2.gz JKEHNNLZHDLRLF-OAHLLOKOSA-N -1 3 299.374 3.062 20 0 CGADHM COc1ccc(-c2ccccc2C)cc1CNCCC(=O)[O-] ZINC000263420534 377935351 /nfs/dbraw/zinc/93/53/51/377935351.db2.gz ORBAECGWVYOBAZ-UHFFFAOYSA-N -1 3 299.370 3.235 20 0 CGADHM CC(C)N(Cc1ccco1)Cc1ccc(C(=O)[O-])cc1 ZINC000263508470 377943172 /nfs/dbraw/zinc/94/31/72/377943172.db2.gz XYASAPBORDXHIA-UHFFFAOYSA-N -1 3 273.332 3.388 20 0 CGADHM CC[C@]1(C)CCN(Cc2csc(C(=O)[O-])c2)C1 ZINC000578137652 378041649 /nfs/dbraw/zinc/04/16/49/378041649.db2.gz PZXYURBIZKSWFF-CYBMUJFWSA-N -1 3 253.367 3.068 20 0 CGADHM C[C@@H]1CC[C@@H](C)N1Cc1ccc(C(=O)[O-])c(Cl)c1 ZINC000578329458 378058170 /nfs/dbraw/zinc/05/81/70/378058170.db2.gz DWHMWGLXJWDLJF-NXEZZACHSA-N -1 3 267.756 3.411 20 0 CGADHM C[C@@H](c1ccc(F)c(Cl)c1)N(C)CCCNC(=O)[O-] ZINC000739050541 572400683 /nfs/dbraw/zinc/40/06/83/572400683.db2.gz ALIRAEJMHHWFBD-VIFPVBQESA-N -1 3 288.750 3.130 20 0 CGADHM CC(=O)c1cccc(NC(=O)[C@@H]2CCCCC2(F)F)c1[O-] ZINC000579125115 378132630 /nfs/dbraw/zinc/13/26/30/378132630.db2.gz CQLWTKBTPYAUQH-NSHDSACASA-N -1 3 297.301 3.359 20 0 CGADHM C[C@H]1CCN(Cc2oncc2C(=O)[O-])CC12CCCCC2 ZINC000579603368 378175425 /nfs/dbraw/zinc/17/54/25/378175425.db2.gz SKEQEVMOWUEVPS-LBPRGKRZSA-N -1 3 292.379 3.165 20 0 CGADHM O=C([O-])c1ccc(CN2CCC[C@@H]2c2cccs2)o1 ZINC000579603104 378175459 /nfs/dbraw/zinc/17/54/59/378175459.db2.gz GHOAXEKDTRYUBJ-LLVKDONJSA-N -1 3 277.345 3.376 20 0 CGADHM CC[C@H]1CCCN1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000345401981 378277369 /nfs/dbraw/zinc/27/73/69/378277369.db2.gz LZAHOHXUTHOFLN-ZDUSSCGKSA-N -1 3 279.355 3.255 20 0 CGADHM CC(C)(C)C(=O)c1ccsc1[N-]C(=O)c1cocn1 ZINC000266062700 190227734 /nfs/dbraw/zinc/22/77/34/190227734.db2.gz VRROEQWHNXOXCI-UHFFFAOYSA-N -1 3 278.333 3.217 20 0 CGADHM Cc1nc(C(C)C)oc1C(=O)[N-]c1nnc(C2CC2)s1 ZINC000582158778 378288996 /nfs/dbraw/zinc/28/89/96/378288996.db2.gz LVJZVDMALNMWDY-UHFFFAOYSA-N -1 3 292.364 3.088 20 0 CGADHM CC(C)C[C@@H](C)c1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000580707279 378251161 /nfs/dbraw/zinc/25/11/61/378251161.db2.gz FLWWIAORGODRHR-SECBINFHSA-N -1 3 271.324 3.158 20 0 CGADHM CN(CCCCc1ccccc1)Cc1ccc(C(=O)[O-])o1 ZINC000582306352 378302117 /nfs/dbraw/zinc/30/21/17/378302117.db2.gz MLWKIAFFUYAKQX-UHFFFAOYSA-N -1 3 287.359 3.433 20 0 CGADHM CC[C@]1(C)CCCN(Cc2cc(C)c(C(=O)[O-])o2)C1 ZINC000583636274 378337488 /nfs/dbraw/zinc/33/74/88/378337488.db2.gz PXZLWBMWYWWORC-OAHLLOKOSA-N -1 3 265.353 3.298 20 0 CGADHM Cc1ccc([O-])c(NC(=O)C(C)(C)CC(C)C)n1 ZINC000345933427 378413709 /nfs/dbraw/zinc/41/37/09/378413709.db2.gz SPPSHTXCLWSVTA-UHFFFAOYSA-N -1 3 250.342 3.106 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2ccc(-n3cccc3)cc2)n1 ZINC000345939000 378414467 /nfs/dbraw/zinc/41/44/67/378414467.db2.gz YEFDFPGSXCRFRS-UHFFFAOYSA-N -1 3 293.326 3.139 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2csc3c2CCCC3)n1 ZINC000345984774 378429402 /nfs/dbraw/zinc/42/94/02/378429402.db2.gz NITAGSSPOKXEMT-UHFFFAOYSA-N -1 3 288.372 3.288 20 0 CGADHM Cc1ccc(C(=O)N(CC(C)C)C2CC2)c([O-])c1C ZINC000271186050 378477629 /nfs/dbraw/zinc/47/76/29/378477629.db2.gz DTEKMQDAWUMISA-UHFFFAOYSA-N -1 3 261.365 3.270 20 0 CGADHM CCSCC[C@H](C)N(C)C(=O)c1ccc([O-])c(OC)c1 ZINC000272572855 378669000 /nfs/dbraw/zinc/66/90/00/378669000.db2.gz CRYJGGFGLWBMDG-NSHDSACASA-N -1 3 297.420 3.005 20 0 CGADHM CCCN(CCc1ccccn1)C(=O)c1ccc([O-])c(C)c1 ZINC000272465500 378643490 /nfs/dbraw/zinc/64/34/90/378643490.db2.gz OZFJUGYCCXXEQA-UHFFFAOYSA-N -1 3 298.386 3.191 20 0 CGADHM COc1ccc2c(c1)CCCCN2C(=O)c1cccc([O-])c1 ZINC000273025432 378736384 /nfs/dbraw/zinc/73/63/84/378736384.db2.gz RVBVUHDPWFGHKS-UHFFFAOYSA-N -1 3 297.354 3.384 20 0 CGADHM Cc1ccc2[n-]cc(C(=O)N3C[C@H]4CCC[C@@H]4C3)c(=O)c2c1 ZINC000273194876 378737147 /nfs/dbraw/zinc/73/71/47/378737147.db2.gz IRYLWROJRDAGNT-CHWSQXEVSA-N -1 3 296.370 3.121 20 0 CGADHM CC[C@H](C)[C@H](C)N(Cc1nc(C(=O)[O-])cs1)C1CC1 ZINC000566567090 322129845 /nfs/dbraw/zinc/12/98/45/322129845.db2.gz KAHJVXSNIYEBGD-UWVGGRQHSA-N -1 3 282.409 3.240 20 0 CGADHM Cc1c(N)cccc1NC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000638527491 378827754 /nfs/dbraw/zinc/82/77/54/378827754.db2.gz VKLNKSCCCUFKMI-UHFFFAOYSA-N -1 3 296.370 3.414 20 0 CGADHM Cc1cnccc1C(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000274759770 378890625 /nfs/dbraw/zinc/89/06/25/378890625.db2.gz YJMNYPHAROZHCD-LLVKDONJSA-N -1 3 282.343 3.250 20 0 CGADHM CC[C@@H]1CCCN(C(=O)c2ccc([O-])c(OC)c2)CC1 ZINC000276907795 379019427 /nfs/dbraw/zinc/01/94/27/379019427.db2.gz KDOGQMKVHGKIKW-GFCCVEGCSA-N -1 3 277.364 3.053 20 0 CGADHM CC(C)C[C@H](CNCc1c(F)cccc1F)CC(=O)[O-] ZINC000277102717 379069338 /nfs/dbraw/zinc/06/93/38/379069338.db2.gz ZGKLBHQDCHYWRN-NSHDSACASA-N -1 3 285.334 3.191 20 0 CGADHM CC1(C)CCCC[C@@H]1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000348805560 379061648 /nfs/dbraw/zinc/06/16/48/379061648.db2.gz SLRPQTFBVBIQNS-CYBMUJFWSA-N -1 3 299.378 3.022 20 0 CGADHM CC1(C)CCCC[C@@H]1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000348805560 379061654 /nfs/dbraw/zinc/06/16/54/379061654.db2.gz SLRPQTFBVBIQNS-CYBMUJFWSA-N -1 3 299.378 3.022 20 0 CGADHM CC(C)(C)[C@@H](CC(=O)[O-])NCc1ccc(Cl)cc1F ZINC000277299146 379123691 /nfs/dbraw/zinc/12/36/91/379123691.db2.gz MUIFPRYDXBLFAW-GFCCVEGCSA-N -1 3 287.762 3.458 20 0 CGADHM CC(C)CO[N-]C(=O)Nc1cc(Cl)c(N)c(Cl)c1 ZINC000277405063 379151292 /nfs/dbraw/zinc/15/12/92/379151292.db2.gz KYOCEPFYOZKASP-UHFFFAOYSA-N -1 3 292.166 3.285 20 0 CGADHM CC[C@H](NC(=O)NCc1ncccc1[O-])c1ccc(C)cc1 ZINC000349221091 379194542 /nfs/dbraw/zinc/19/45/42/379194542.db2.gz VDLPDNQZVPKYAP-AWEZNQCLSA-N -1 3 299.374 3.046 20 0 CGADHM Cc1ccccc1NC(=O)c1c[n-]nc1-c1ccncc1 ZINC000349326859 379231264 /nfs/dbraw/zinc/23/12/64/379231264.db2.gz UYNMEFIEYXPRGD-UHFFFAOYSA-N -1 3 278.315 3.032 20 0 CGADHM Cc1ccccc1NC(=O)c1cn[n-]c1-c1ccncc1 ZINC000349326859 379231268 /nfs/dbraw/zinc/23/12/68/379231268.db2.gz UYNMEFIEYXPRGD-UHFFFAOYSA-N -1 3 278.315 3.032 20 0 CGADHM CCOc1cc(-c2noc(C[C@H]3C=CCC3)n2)ccc1[O-] ZINC000277792717 379237077 /nfs/dbraw/zinc/23/70/77/379237077.db2.gz FDVFYPVJGRJNAJ-NSHDSACASA-N -1 3 286.331 3.350 20 0 CGADHM C[C@@H]1CC[C@H](C)N(C(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC000266489387 190261319 /nfs/dbraw/zinc/26/13/19/190261319.db2.gz RYGTVDYSTJKMJZ-NEPJUHHUSA-N -1 3 284.359 3.201 20 0 CGADHM Cc1cccc(C(=O)N(CC2CC2)CC2CCC2)c1[O-] ZINC000280074566 379598717 /nfs/dbraw/zinc/59/87/17/379598717.db2.gz NHPHHDQXEWQDGM-UHFFFAOYSA-N -1 3 273.376 3.353 20 0 CGADHM CCc1noc(C)c1[N-]C(=O)c1cc(C(F)(F)F)ccn1 ZINC000640026271 379694656 /nfs/dbraw/zinc/69/46/56/379694656.db2.gz ZCLTVJMPFCMOHH-UHFFFAOYSA-N -1 3 299.252 3.212 20 0 CGADHM CO[C@@H]1CCC[C@H](Cc2nc(-c3ccc([O-])cc3)no2)C1 ZINC000280253297 379656394 /nfs/dbraw/zinc/65/63/94/379656394.db2.gz IZQQXINCPJZZGO-SMDDNHRTSA-N -1 3 288.347 3.190 20 0 CGADHM COc1cccc(C(=O)N2CCC[C@H](C(C)(C)C)C2)c1[O-] ZINC000280479494 379713140 /nfs/dbraw/zinc/71/31/40/379713140.db2.gz JSPXBUBTMQNHDR-LBPRGKRZSA-N -1 3 291.391 3.299 20 0 CGADHM CCC[C@@H](NC(=O)c1cccc([O-])c1)[C@@H](O)c1ccccc1 ZINC000280532317 379726318 /nfs/dbraw/zinc/72/63/18/379726318.db2.gz JSHOWSTXGJAHDP-SJORKVTESA-N -1 3 299.370 3.024 20 0 CGADHM CC[C@@](C)(OC)C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000280646574 379755406 /nfs/dbraw/zinc/75/54/06/379755406.db2.gz DZAVXLQGSDIRRH-CYBMUJFWSA-N -1 3 271.744 3.108 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)c1ccc(C)c(F)c1F ZINC000640473425 379806360 /nfs/dbraw/zinc/80/63/60/379806360.db2.gz HUZXYJCUWNUYSD-UHFFFAOYSA-N -1 3 293.317 3.102 20 0 CGADHM CC1(CNCc2c(F)ccc([O-])c2F)CCCC1 ZINC000352490449 379836769 /nfs/dbraw/zinc/83/67/69/379836769.db2.gz IOUBHYNDRFPIFR-UHFFFAOYSA-N -1 3 255.308 3.340 20 0 CGADHM CC[C@H](C)[C@H](C(=O)NCc1ncccc1[O-])c1ccccc1 ZINC000352502636 379837813 /nfs/dbraw/zinc/83/78/13/379837813.db2.gz WZIHUODGUICPSP-GUYCJALGSA-N -1 3 298.386 3.233 20 0 CGADHM O=C(Nc1nnc(-c2ccco2)[n-]1)c1sccc1Cl ZINC000352434850 379813355 /nfs/dbraw/zinc/81/33/55/379813355.db2.gz BYLSETDWFWWQLF-UHFFFAOYSA-N -1 3 294.723 3.032 20 0 CGADHM O=C(Nc1nc(-c2ccco2)n[n-]1)c1sccc1Cl ZINC000352434850 379813357 /nfs/dbraw/zinc/81/33/57/379813357.db2.gz BYLSETDWFWWQLF-UHFFFAOYSA-N -1 3 294.723 3.032 20 0 CGADHM CCCc1occc1C(=O)Nc1c(C)cccc1[O-] ZINC000282461189 379925289 /nfs/dbraw/zinc/92/52/89/379925289.db2.gz UBZIDGWJTGXJJJ-UHFFFAOYSA-N -1 3 259.305 3.498 20 0 CGADHM CN(Cc1cccc(C(=O)[O-])c1Cl)C(C)(C)C ZINC000382130350 379870930 /nfs/dbraw/zinc/87/09/30/379870930.db2.gz NYURUWINPLBKCJ-UHFFFAOYSA-N -1 3 255.745 3.269 20 0 CGADHM CC[C@]1(C)CCN([C@H](C)c2ccc(C(=O)[O-])o2)C1 ZINC000399290223 379938568 /nfs/dbraw/zinc/93/85/68/379938568.db2.gz GSYYAETYEYFQOX-QMTHXVAHSA-N -1 3 251.326 3.161 20 0 CGADHM [O-]c1cccc(CN2CCOCC3(CCC3)C2)c1Cl ZINC000352903759 380028977 /nfs/dbraw/zinc/02/89/77/380028977.db2.gz QYKMBQNQHLOZMS-UHFFFAOYSA-N -1 3 281.783 3.048 20 0 CGADHM CC(C)CON=C([O-])Nc1ccc(OC(F)F)cc1F ZINC000283587400 380075280 /nfs/dbraw/zinc/07/52/80/380075280.db2.gz XAWNPIIBZRAPIM-UHFFFAOYSA-N -1 3 292.257 3.136 20 0 CGADHM CC(C)CO[N-]C(=O)Nc1ccc(OC(F)F)cc1F ZINC000283587400 380075288 /nfs/dbraw/zinc/07/52/88/380075288.db2.gz XAWNPIIBZRAPIM-UHFFFAOYSA-N -1 3 292.257 3.136 20 0 CGADHM Cc1cccc([N-]S(=O)(=O)CCC2CCCC2)c1O ZINC000641684665 380046083 /nfs/dbraw/zinc/04/60/83/380046083.db2.gz TVYYDXUTOJMSIT-UHFFFAOYSA-N -1 3 283.393 3.023 20 0 CGADHM COc1cc(C)cc(C(=O)Nc2sc(C)nc2C)c1[O-] ZINC000268102872 190377211 /nfs/dbraw/zinc/37/72/11/190377211.db2.gz BLPZMARALMKPEM-UHFFFAOYSA-N -1 3 292.360 3.035 20 0 CGADHM CCCCc1n[n-]c(=NC(C)(C)C)n1Cc1ccccc1 ZINC000643371016 380299644 /nfs/dbraw/zinc/29/96/44/380299644.db2.gz ZCROEXMYZOSKGB-UHFFFAOYSA-N -1 3 286.423 3.301 20 0 CGADHM Cc1ccc(-c2nc([C@@H](N)CC(C)C)no2)c([O-])c1C ZINC000414619777 380340018 /nfs/dbraw/zinc/34/00/18/380340018.db2.gz KSOUVTYMTQDZGL-LBPRGKRZSA-N -1 3 275.352 3.105 20 0 CGADHM Cc1cc(C(=O)N2[C@H](C)C[C@H]3CCCC[C@@H]32)ccc1[O-] ZINC000436899474 291749301 /nfs/dbraw/zinc/74/93/01/291749301.db2.gz DGMDDZDEASXVGB-NFAWXSAZSA-N -1 3 273.376 3.494 20 0 CGADHM CN(CCCC(=O)[O-])Cc1ccc(-c2ccccc2)o1 ZINC000414640135 380350685 /nfs/dbraw/zinc/35/06/85/380350685.db2.gz RHJHQOCOANVVHK-UHFFFAOYSA-N -1 3 273.332 3.243 20 0 CGADHM Cc1cc(C(=O)N(C)Cc2ccc(F)cc2F)ccc1[O-] ZINC000354356903 380411098 /nfs/dbraw/zinc/41/10/98/380411098.db2.gz HBVSSCNGMPYCPO-UHFFFAOYSA-N -1 3 291.297 3.251 20 0 CGADHM CC[C@H]1CCN1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000644786248 380510762 /nfs/dbraw/zinc/51/07/62/380510762.db2.gz PVMKXRGZIIVADA-JTQLQIEISA-N -1 3 283.331 3.066 20 0 CGADHM COCc1ccc(CN[C@@H](C(=O)[O-])c2ccc(C)cc2)cc1 ZINC000417531176 380633320 /nfs/dbraw/zinc/63/33/20/380633320.db2.gz JDCCLKDBXKZZNC-QGZVFWFLSA-N -1 3 299.370 3.057 20 0 CGADHM CC(C)(C)c1cnc(CN[C@H]2CCC[C@]2(C)C(=O)[O-])s1 ZINC000417585678 380645572 /nfs/dbraw/zinc/64/55/72/380645572.db2.gz ZSUYJTYRKGAVHF-BONVTDFDSA-N -1 3 296.436 3.174 20 0 CGADHM [O-]c1cccc(CNCCOc2ccccc2F)c1Cl ZINC000645143887 380594711 /nfs/dbraw/zinc/59/47/11/380594711.db2.gz VLNYHQWLMVTQGH-UHFFFAOYSA-N -1 3 295.741 3.353 20 0 CGADHM CC1(C)[C@H](NCc2cccc([O-])c2Cl)[C@H]2CCCO[C@H]21 ZINC000645157060 380598420 /nfs/dbraw/zinc/59/84/20/380598420.db2.gz LXGGQNXIHUTCRM-KCPJHIHWSA-N -1 3 295.810 3.339 20 0 CGADHM CC1(C)CCC[C@@](O)(CNCc2cccc([O-])c2Cl)C1 ZINC000645175229 380604722 /nfs/dbraw/zinc/60/47/22/380604722.db2.gz NDYWTYFNKXMRDL-INIZCTEOSA-N -1 3 297.826 3.467 20 0 CGADHM O=C([O-])[C@H](CC1CC1)NCc1cccc(Cl)c1Cl ZINC000417615176 380651895 /nfs/dbraw/zinc/65/18/95/380651895.db2.gz CFMWNOMWMSYPDO-NSHDSACASA-N -1 3 288.174 3.336 20 0 CGADHM C[C@@H](NCc1ccc(-c2ccccc2F)o1)[C@H](C)C(=O)[O-] ZINC000417614929 380652112 /nfs/dbraw/zinc/65/21/12/380652112.db2.gz SPQZRAGYSNMXQD-WDEREUQCSA-N -1 3 291.322 3.285 20 0 CGADHM COc1cccc(CN[C@H]2C[C@H](C(=O)[O-])c3ccccc32)c1 ZINC000417624130 380656419 /nfs/dbraw/zinc/65/64/19/380656419.db2.gz PZQOOMFOGJZJKL-IRXDYDNUSA-N -1 3 297.354 3.098 20 0 CGADHM Cc1cc(Cl)cc(C)c1CN[C@@H]1C=C[C@@H](C(=O)[O-])C1 ZINC000417632249 380658394 /nfs/dbraw/zinc/65/83/94/380658394.db2.gz ZPUINVDAPYIBOW-DGCLKSJQSA-N -1 3 279.767 3.076 20 0 CGADHM CC[C@H]1CCC[C@@H](NC(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC000334758573 207026200 /nfs/dbraw/zinc/02/62/00/207026200.db2.gz FGUUHVXJKWLZJA-QWHCGFSZSA-N -1 3 298.386 3.227 20 0 CGADHM C[C@@H]1CCCCCN1C(=O)Cc1ccc([O-])cc1Cl ZINC000357298108 381096864 /nfs/dbraw/zinc/09/68/64/381096864.db2.gz XRDMILPPCBATAT-LLVKDONJSA-N -1 3 281.783 3.379 20 0 CGADHM C[C@@H]1CCCC[C@H]1CCNC(=O)c1cccc([O-])c1 ZINC000357303839 381098870 /nfs/dbraw/zinc/09/88/70/381098870.db2.gz HTCOVXOVOGOYPM-OLZOCXBDSA-N -1 3 261.365 3.338 20 0 CGADHM COC(=O)c1cc(NC(=O)c2cccc([O-])c2)cc(C)c1C ZINC000357326041 381106393 /nfs/dbraw/zinc/10/63/93/381106393.db2.gz VYMJMLGRIXEWGH-UHFFFAOYSA-N -1 3 299.326 3.048 20 0 CGADHM CCC[C@@]1(C)CCCN(C(=O)c2cccc([O-])c2)C1 ZINC000357350578 381120486 /nfs/dbraw/zinc/12/04/86/381120486.db2.gz ABCCNHQVLWFTNU-INIZCTEOSA-N -1 3 261.365 3.435 20 0 CGADHM CC(C)C[C@@H]1CCCN(C(=O)c2cccc([O-])c2)C1 ZINC000357403694 381146324 /nfs/dbraw/zinc/14/63/24/381146324.db2.gz KRHIKAPMAPIHMR-ZDUSSCGKSA-N -1 3 261.365 3.291 20 0 CGADHM CCc1ocnc1C(=O)[N-]c1ccsc1Cl ZINC000334833984 207156747 /nfs/dbraw/zinc/15/67/47/207156747.db2.gz NAUMQUIDESIMPZ-UHFFFAOYSA-N -1 3 256.714 3.204 20 0 CGADHM CCc1cc(O)ccc1NC(=O)c1cc(-c2ccco2)[n-]n1 ZINC000360557078 381578011 /nfs/dbraw/zinc/57/80/11/381578011.db2.gz QKXYBTINLCLPCA-UHFFFAOYSA-N -1 3 297.314 3.190 20 0 CGADHM CCc1cc(O)ccc1NC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000360557078 381578018 /nfs/dbraw/zinc/57/80/18/381578018.db2.gz QKXYBTINLCLPCA-UHFFFAOYSA-N -1 3 297.314 3.190 20 0 CGADHM CC1(C)C[C@@H]1C(=O)Nc1nnc(-c2cc3ccccc3o2)[n-]1 ZINC000362260381 381923827 /nfs/dbraw/zinc/92/38/27/381923827.db2.gz HKKJVBQFFMMKNU-SNVBAGLBSA-N -1 3 296.330 3.203 20 0 CGADHM CC1(C)C[C@@H]1C(=O)Nc1nc(-c2cc3ccccc3o2)n[n-]1 ZINC000362260381 381923829 /nfs/dbraw/zinc/92/38/29/381923829.db2.gz HKKJVBQFFMMKNU-SNVBAGLBSA-N -1 3 296.330 3.203 20 0 CGADHM CC1(C)C[C@@H]1C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000362260381 381923834 /nfs/dbraw/zinc/92/38/34/381923834.db2.gz HKKJVBQFFMMKNU-SNVBAGLBSA-N -1 3 296.330 3.203 20 0 CGADHM CCc1ccc(-c2ccc(CN[C@H](C)CC(=O)[O-])o2)cc1 ZINC000362347621 381951848 /nfs/dbraw/zinc/95/18/48/381951848.db2.gz XUIYQAFLNIBUKN-GFCCVEGCSA-N -1 3 287.359 3.462 20 0 CGADHM CCc1cc(=O)[n-]c(CN2CCC(CC)(CC)CC2)n1 ZINC000362585331 382069376 /nfs/dbraw/zinc/06/93/76/382069376.db2.gz DDKUUMDMPQACET-UHFFFAOYSA-N -1 3 277.412 3.147 20 0 CGADHM O=[S@@](Cc1cc2ccccc2o1)c1ccc([O-])cc1 ZINC000362865920 382133494 /nfs/dbraw/zinc/13/34/94/382133494.db2.gz DOEARLJDCZQQML-IBGZPJMESA-N -1 3 272.325 3.446 20 0 CGADHM COc1ccccc1[C@@H](NCc1cccc(C)c1C)C(=O)[O-] ZINC000426778564 532981499 /nfs/dbraw/zinc/98/14/99/532981499.db2.gz YQVUNXOFNJPCNQ-QGZVFWFLSA-N -1 3 299.370 3.228 20 0 CGADHM O=C(c1csc(=O)[n-]1)N1CCC[C@@H]1CC1CCCCC1 ZINC000335298809 208136240 /nfs/dbraw/zinc/13/62/40/208136240.db2.gz VPJHTHLIDXYZNA-GFCCVEGCSA-N -1 3 294.420 3.424 20 0 CGADHM O=S(=O)([N-]c1cccc(F)c1Cl)c1ccsc1 ZINC000335365908 208284042 /nfs/dbraw/zinc/28/40/42/208284042.db2.gz IISLPVNHKWUHQK-UHFFFAOYSA-N -1 3 291.756 3.341 20 0 CGADHM [O-]C(=NO[C@H]1CCCCO1)Nc1cccc(F)c1Cl ZINC000289128780 197242032 /nfs/dbraw/zinc/24/20/32/197242032.db2.gz OILOHVFKJMCKEN-JTQLQIEISA-N -1 3 288.706 3.059 20 0 CGADHM O=C([N-]O[C@H]1CCCCO1)Nc1cccc(F)c1Cl ZINC000289128780 197242034 /nfs/dbraw/zinc/24/20/34/197242034.db2.gz OILOHVFKJMCKEN-JTQLQIEISA-N -1 3 288.706 3.059 20 0 CGADHM O=C([O-])c1cccc(CN[C@H]2CCCOc3ccccc32)c1 ZINC000263419724 304260438 /nfs/dbraw/zinc/26/04/38/304260438.db2.gz OKUIWYVYRRDTMZ-INIZCTEOSA-N -1 3 297.354 3.388 20 0 CGADHM COC[C@@]1(C)CCN(C(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000295330734 542406261 /nfs/dbraw/zinc/40/62/61/542406261.db2.gz DBDWITOZXGKCFL-SFHVURJKSA-N -1 3 299.370 3.044 20 0 CGADHM Cc1cccc(S(=O)(=O)[N-][C@@H](C)c2ccsc2)c1F ZINC000313232650 542434697 /nfs/dbraw/zinc/43/46/97/542434697.db2.gz YXDUURNXPXIYTL-JTQLQIEISA-N -1 3 299.392 3.235 20 0 CGADHM Cc1cc(CN[C@@H](CC(=O)[O-])c2cccs2)cs1 ZINC000328557191 542444043 /nfs/dbraw/zinc/44/40/43/542444043.db2.gz BHCUBXAMVAPJNV-NSHDSACASA-N -1 3 281.402 3.424 20 0 CGADHM Cc1ccc([O-])c(NC(=O)[C@H]2CC[C@H](C(F)(F)F)C2)n1 ZINC000334204605 542455033 /nfs/dbraw/zinc/45/50/33/542455033.db2.gz WGGQDTNDJBRZNF-IUCAKERBSA-N -1 3 288.269 3.013 20 0 CGADHM C[C@@H](NC(=O)c1cc([O-])c2ccccc2c1)[C@H]1CCCOC1 ZINC000335165899 542464856 /nfs/dbraw/zinc/46/48/56/542464856.db2.gz KBNOVHPRRXSBEX-OCCSQVGLSA-N -1 3 299.370 3.090 20 0 CGADHM CC[C@@H](c1ccc(F)cc1F)N(C)CCCNC(=O)[O-] ZINC000739280912 572541456 /nfs/dbraw/zinc/54/14/56/572541456.db2.gz XJPVYJZTYJGQTM-ZDUSSCGKSA-N -1 3 286.322 3.005 20 0 CGADHM CC[C@H](C)CCC(=O)Nc1ccc(OC)cc1[O-] ZINC000355000922 542564346 /nfs/dbraw/zinc/56/43/46/542564346.db2.gz LSZVQTAVCOSISB-JTQLQIEISA-N -1 3 251.326 3.166 20 0 CGADHM C/C=C/C=C/C(=O)Nc1cc(Br)ccc1[O-] ZINC000179656955 260061981 /nfs/dbraw/zinc/06/19/81/260061981.db2.gz NTWIRBFKTWQCOG-MQQKCMAXSA-N -1 3 282.137 3.226 20 0 CGADHM COc1cccc(C(=O)NCc2ccc(C3CC3)cc2)c1[O-] ZINC000436553950 533410574 /nfs/dbraw/zinc/41/05/74/533410574.db2.gz IUMTTYIUNMTSCD-UHFFFAOYSA-N -1 3 297.354 3.208 20 0 CGADHM CC=C(C=CC(=O)Nc1cccc(C(C)=O)c1[O-])CC ZINC000493485744 533424893 /nfs/dbraw/zinc/42/48/93/533424893.db2.gz KSVLVZTWSGAFIR-SVSYPLOBSA-N -1 3 273.332 3.446 20 0 CGADHM COc1ccc(CCCNC(=O)c2cc(C)ccc2[O-])cc1 ZINC000436685841 533473826 /nfs/dbraw/zinc/47/38/26/533473826.db2.gz CJUCZNJYQHNEOE-UHFFFAOYSA-N -1 3 299.370 3.072 20 0 CGADHM COc1ccc(CN2CCC[C@H](C)[C@H]2C(=O)[O-])cc1Cl ZINC000424262169 533558522 /nfs/dbraw/zinc/55/85/22/533558522.db2.gz DGDPMCPYOLWXAY-HZMBPMFUSA-N -1 3 297.782 3.034 20 0 CGADHM COc1ccc(CN2CCC[C@H](C)[C@@H]2C(=O)[O-])cc1Cl ZINC000424262172 533559033 /nfs/dbraw/zinc/55/90/33/533559033.db2.gz DGDPMCPYOLWXAY-IINYFYTJSA-N -1 3 297.782 3.034 20 0 CGADHM CSCCCN1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000365644194 533565050 /nfs/dbraw/zinc/56/50/50/533565050.db2.gz XAIUWGZTVRFMOW-UHFFFAOYSA-N -1 3 293.432 3.040 20 0 CGADHM Cc1ccc(C(=O)Nc2ccc3c(c2)OC(C)(C)O3)c([O-])c1 ZINC000436511214 533612660 /nfs/dbraw/zinc/61/26/60/533612660.db2.gz HZJYTDYZWOKLSK-UHFFFAOYSA-N -1 3 299.326 3.460 20 0 CGADHM Cc1ccc(C(=O)Nc2cccc3[nH]cnc32)c([O-])c1C ZINC000436526982 533615191 /nfs/dbraw/zinc/61/51/91/533615191.db2.gz GFZIBZPBKJBCGE-UHFFFAOYSA-N -1 3 281.315 3.138 20 0 CGADHM CCc1nc(NC(=O)c2cc(C)ccc2[O-])sc1C ZINC000048045929 391992129 /nfs/dbraw/zinc/99/21/29/391992129.db2.gz UQVUZGPCEFHVGD-UHFFFAOYSA-N -1 3 276.361 3.280 20 0 CGADHM O=C(NCc1ccsc1)c1cc2c(cc1[O-])CCCC2 ZINC000049180089 392037395 /nfs/dbraw/zinc/03/73/95/392037395.db2.gz CDBUHOARBQEYSM-UHFFFAOYSA-N -1 3 287.384 3.263 20 0 CGADHM COc1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2C)c([O-])c1 ZINC000055482048 392099274 /nfs/dbraw/zinc/09/92/74/392099274.db2.gz WAVNKLXARKFMLW-RISCZKNCSA-N -1 3 277.364 3.052 20 0 CGADHM CCC1(CC)CCN(C(=O)c2ccc(OC)cc2[O-])CC1 ZINC000062959678 392135245 /nfs/dbraw/zinc/13/52/45/392135245.db2.gz LJHPQVPYTYVJBT-UHFFFAOYSA-N -1 3 291.391 3.443 20 0 CGADHM COc1ccc(NC(=O)C(C)(C)C(C)C)c([O-])c1 ZINC000443564078 542667285 /nfs/dbraw/zinc/66/72/85/542667285.db2.gz ZUCCPTAMUCLSHP-UHFFFAOYSA-N -1 3 251.326 3.022 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-]CCC2=CCCCCC2)o1 ZINC000361976345 392381034 /nfs/dbraw/zinc/38/10/34/392381034.db2.gz HPWOBPJEZAWLBC-UHFFFAOYSA-N -1 3 283.393 3.147 20 0 CGADHM O=C(N[C@H]1CCC[C@@H]2C[C@@H]21)c1cc([O-])c2ccccc2c1 ZINC000458299283 542691782 /nfs/dbraw/zinc/69/17/82/542691782.db2.gz MZMUNNQSNMGTEL-KCXAZCMYSA-N -1 3 281.355 3.464 20 0 CGADHM CC[C@H](CC(F)F)C(=O)N1CCCc2cccc([O-])c21 ZINC000457684118 392731542 /nfs/dbraw/zinc/73/15/42/392731542.db2.gz HRCWZMGEFLLULD-SNVBAGLBSA-N -1 3 283.318 3.353 20 0 CGADHM CC[C@@H]1C[C@@H](NC(=O)c2cc([O-])c3ccccc3c2)CCO1 ZINC000335070127 392769609 /nfs/dbraw/zinc/76/96/09/392769609.db2.gz UDGFUJDLTSLUQI-LSDHHAIUSA-N -1 3 299.370 3.233 20 0 CGADHM CCC[C@H](C)CC(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000647802830 392805045 /nfs/dbraw/zinc/80/50/45/392805045.db2.gz VAETYGWHFQQUGZ-VIFPVBQESA-N -1 3 261.325 3.033 20 0 CGADHM COc1ccc(NC(=O)Cc2ccc(C)c(C)c2)c([O-])c1 ZINC000527202797 542741489 /nfs/dbraw/zinc/74/14/89/542741489.db2.gz LWDHYXSSVYIJOX-UHFFFAOYSA-N -1 3 285.343 3.199 20 0 CGADHM COc1ccc(NC(=O)c2ccn(C(C)C)c2C)c([O-])c1 ZINC000349208652 393141296 /nfs/dbraw/zinc/14/12/96/393141296.db2.gz NVTQKRFUPAYTPF-UHFFFAOYSA-N -1 3 288.347 3.344 20 0 CGADHM CCc1cccc(C(=O)N2CCCC[C@H](C)C2)c1[O-] ZINC000547821666 393152298 /nfs/dbraw/zinc/15/22/98/393152298.db2.gz QKWLICOKEDDFFC-LBPRGKRZSA-N -1 3 261.365 3.217 20 0 CGADHM CC(C)(C)c1nc(C=Cc2cnn3ccccc23)cc(=O)[n-]1 ZINC000470254749 393234730 /nfs/dbraw/zinc/23/47/30/393234730.db2.gz MHFHTESIOMSLCU-FPLPWBNLSA-N -1 3 294.358 3.298 20 0 CGADHM COc1ccc(C(=O)N2CCCC[C@@H]2C2CCC2)c([O-])c1 ZINC000648705793 393214580 /nfs/dbraw/zinc/21/45/80/393214580.db2.gz QNCQBQBEJGPZKY-OAHLLOKOSA-N -1 3 289.375 3.196 20 0 CGADHM Cc1cc(Cl)ccc1CNCc1ncccc1[O-] ZINC000355278556 393287983 /nfs/dbraw/zinc/28/79/83/393287983.db2.gz JQMLKWIGAWFMBN-UHFFFAOYSA-N -1 3 262.740 3.039 20 0 CGADHM CCSc1cccc(CNCc2ncccc2[O-])c1 ZINC000355283839 393291958 /nfs/dbraw/zinc/29/19/58/393291958.db2.gz CNZRSIYZGQXEMW-UHFFFAOYSA-N -1 3 274.389 3.189 20 0 CGADHM CCCCC[N-]S(=O)(=O)c1oc2ccc(F)cc2c1C ZINC000471693922 393293329 /nfs/dbraw/zinc/29/33/29/393293329.db2.gz ROZPBWOXVPCPHV-UHFFFAOYSA-N -1 3 299.367 3.349 20 0 CGADHM CC(C)(C)c1ccc(CNC(=O)c2csc(=O)[n-]2)cc1 ZINC000471713788 393296246 /nfs/dbraw/zinc/29/62/46/393296246.db2.gz NWXJVKKEZFPPFV-UHFFFAOYSA-N -1 3 290.388 3.076 20 0 CGADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1CCCCC1 ZINC000646561116 393301424 /nfs/dbraw/zinc/30/14/24/393301424.db2.gz VATRQVIAVKOUOV-UHFFFAOYSA-N -1 3 273.254 3.037 20 0 CGADHM CCC[C@@H](C)SCc1cc(=O)[n-]c(C2CC2)n1 ZINC000419589426 393408220 /nfs/dbraw/zinc/40/82/20/393408220.db2.gz QFWRATXHDMMAFU-SECBINFHSA-N -1 3 252.383 3.481 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@H]1CCC(C)=C(C)C1 ZINC000649228233 393376502 /nfs/dbraw/zinc/37/65/02/393376502.db2.gz FRIUBUBTYMRTMG-ZDUSSCGKSA-N -1 3 275.396 3.338 20 0 CGADHM CCCC(CCC)C(=O)N=c1[nH][n-]c(C(C)C)c1C ZINC000649230673 393379344 /nfs/dbraw/zinc/37/93/44/393379344.db2.gz SGASCPJRDXDGCH-UHFFFAOYSA-N -1 3 265.401 3.418 20 0 CGADHM O=C([O-])C[C@H](NCc1ccc(F)cc1)c1ccsc1 ZINC000426715777 393450871 /nfs/dbraw/zinc/45/08/71/393450871.db2.gz TWPBOAGUGUQIMQ-ZDUSSCGKSA-N -1 3 279.336 3.193 20 0 CGADHM C[C@@H](C(=O)[O-])C1(NCc2c(Cl)oc3ccccc32)CC1 ZINC000649510248 393463265 /nfs/dbraw/zinc/46/32/65/393463265.db2.gz WTUFHMCBIDRJAU-VIFPVBQESA-N -1 3 293.750 3.429 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N2CC[C@@H](C3CCCC3)C2)n1 ZINC000420962803 393559696 /nfs/dbraw/zinc/55/96/96/393559696.db2.gz LKJAAFTUIKHHST-GXTWGEPZSA-N -1 3 275.396 3.064 20 0 CGADHM COC(=O)c1cnc(SCCOC2CCCCCC2)[n-]1 ZINC000432671176 393626671 /nfs/dbraw/zinc/62/66/71/393626671.db2.gz VDJISOQQCCJRPW-UHFFFAOYSA-N -1 3 298.408 3.028 20 0 CGADHM Cc1ccc([C@@H](C)[C@H](O)C(=O)Nc2c(C)cccc2[O-])cc1 ZINC000490698510 393651867 /nfs/dbraw/zinc/65/18/67/393651867.db2.gz XSBMXAQMTGTREY-DYVFJYSZSA-N -1 3 299.370 3.112 20 0 CGADHM CC(C)CCO[C@@H](C)C(=O)N1CCCc2cccc([O-])c21 ZINC000490887141 393659860 /nfs/dbraw/zinc/65/98/60/393659860.db2.gz JUKRBDWMHFQXCX-ZDUSSCGKSA-N -1 3 291.391 3.123 20 0 CGADHM COc1ccc(/C=C/C(=O)Nc2cccc([O-])c2F)cc1 ZINC000492296945 393715410 /nfs/dbraw/zinc/71/54/10/393715410.db2.gz HBXYKVPPADUKFE-JXMROGBWSA-N -1 3 287.290 3.192 20 0 CGADHM Cc1ccc(C(=O)N[C@@H](CC(F)(F)F)C(C)C)c([O-])c1 ZINC000438606829 393727296 /nfs/dbraw/zinc/72/72/96/393727296.db2.gz JSLGLEPENIUIFW-NSHDSACASA-N -1 3 289.297 3.407 20 0 CGADHM CCC(CC)c1cc(C(=O)[N-]c2ncc(C)o2)on1 ZINC000443929033 393777664 /nfs/dbraw/zinc/77/76/64/393777664.db2.gz NXJQATYPVIDSPY-UHFFFAOYSA-N -1 3 263.297 3.127 20 0 CGADHM Cc1ccc([O-])c(C(=O)NC[C@H]2CCCC(F)(F)C2)c1 ZINC000499514196 393799458 /nfs/dbraw/zinc/79/94/58/393799458.db2.gz IJSNLZOBKOTBMF-NSHDSACASA-N -1 3 283.318 3.256 20 0 CGADHM CC(C)[C@@H]1C[C@H]1CNCc1cccc([O-])c1Cl ZINC000449553381 393898448 /nfs/dbraw/zinc/89/84/48/393898448.db2.gz MPECCAWQQAABAP-RYUDHWBXSA-N -1 3 253.773 3.427 20 0 CGADHM CC1(C)CCC(NC(=O)Cc2ccc([O-])c(F)c2)CC1 ZINC000449931984 393946458 /nfs/dbraw/zinc/94/64/58/393946458.db2.gz QANLYCLYUHCLKX-UHFFFAOYSA-N -1 3 279.355 3.159 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])[C@@H]1CCCCC1(F)F ZINC000450041570 393967933 /nfs/dbraw/zinc/96/79/33/393967933.db2.gz IZVVCUAGWMGHBX-VIFPVBQESA-N -1 3 273.254 3.295 20 0 CGADHM Cc1cc(CNC(=O)c2ccc(C(C)C)cc2[O-])ccn1 ZINC000452427254 394059930 /nfs/dbraw/zinc/05/99/30/394059930.db2.gz QJHDHJYCQVWYSO-UHFFFAOYSA-N -1 3 284.359 3.149 20 0 CGADHM COc1cc(C(=O)N[C@@H](C)[C@H]2CCC[C@@H](C)C2)ccc1[O-] ZINC000457001455 394308551 /nfs/dbraw/zinc/30/85/51/394308551.db2.gz MKESXZBTIGSTTB-AGIUHOORSA-N -1 3 291.391 3.345 20 0 CGADHM CC(C)[C@@H]1N(C(=O)c2cccc([O-])c2)CC12CCCC2 ZINC000457170574 394323895 /nfs/dbraw/zinc/32/38/95/394323895.db2.gz OTJCILHCTBLGJP-HNNXBMFYSA-N -1 3 273.376 3.433 20 0 CGADHM Cc1ccc(C(=O)N2CCCc3cccc([O-])c32)c(F)c1 ZINC000094917850 292055339 /nfs/dbraw/zinc/05/53/39/292055339.db2.gz BBENARKCANNOKF-UHFFFAOYSA-N -1 3 285.318 3.433 20 0 CGADHM Cc1ccc(C(=O)N2CCCc3ccccc32)c([O-])c1 ZINC000019839196 292055448 /nfs/dbraw/zinc/05/54/48/292055448.db2.gz FIFJBUUPCAXUHM-UHFFFAOYSA-N -1 3 267.328 3.294 20 0 CGADHM Cc1ccc(C(=O)N2CC[C@@H](CC(C)C)C2)c([O-])c1 ZINC000307770504 292061898 /nfs/dbraw/zinc/06/18/98/292061898.db2.gz FRRPKOGQYDFBNW-ZDUSSCGKSA-N -1 3 261.365 3.209 20 0 CGADHM Cc1ccc(C(=O)N2CC[C@@H]2Cc2ccccc2)c([O-])c1C ZINC000436575418 292062460 /nfs/dbraw/zinc/06/24/60/292062460.db2.gz MNYIMARCIWXMHT-MRXNPFEDSA-N -1 3 295.382 3.466 20 0 CGADHM CCc1cc([N-]C(=O)c2coc(C3CCCC3)n2)no1 ZINC000670194902 543144357 /nfs/dbraw/zinc/14/43/57/543144357.db2.gz CUMKNBHQRCOZEU-UHFFFAOYSA-N -1 3 275.308 3.135 20 0 CGADHM O=C([N-]c1ccc(F)c(F)c1F)c1cc(C2CC2)on1 ZINC000041452955 397611713 /nfs/dbraw/zinc/61/17/13/397611713.db2.gz OWFFTKOEIOPFGB-UHFFFAOYSA-N -1 3 282.221 3.222 20 0 CGADHM Cc1cc(Br)oc1C(=O)Nc1ccccc1[O-] ZINC000045012421 397621867 /nfs/dbraw/zinc/62/18/67/397621867.db2.gz JUCOOOMPXAJYPV-UHFFFAOYSA-N -1 3 296.120 3.308 20 0 CGADHM C[C@]1(c2cccc(F)c2)CCN(C(=O)c2ccccc2[O-])C1 ZINC000650224422 397803655 /nfs/dbraw/zinc/80/36/55/397803655.db2.gz MIVHKOUNXXGISV-SFHVURJKSA-N -1 3 299.345 3.335 20 0 CGADHM CCc1cccc(C(=O)Nc2ncc(Cl)s2)c1[O-] ZINC000674361201 543283454 /nfs/dbraw/zinc/28/34/54/543283454.db2.gz HMSHTEVNMIGGRN-UHFFFAOYSA-N -1 3 282.752 3.317 20 0 CGADHM Cc1ccc(C(=O)NCC(C)(C)[C@@H]2CCCCO2)c([O-])c1 ZINC000675220324 543322349 /nfs/dbraw/zinc/32/23/49/543322349.db2.gz KKULQCUHOJCVOT-HNNXBMFYSA-N -1 3 291.391 3.026 20 0 CGADHM CC(C)c1cc(C(=O)N[C@H](C)CCO)c([O-])c(C(C)C)c1 ZINC000676540672 543404914 /nfs/dbraw/zinc/40/49/14/543404914.db2.gz XEBVTYBLXCHZSY-GFCCVEGCSA-N -1 3 293.407 3.140 20 0 CGADHM Cc1cc([N-]C(=O)[C@@H](C)Nc2ccc(C3CC3)cc2)on1 ZINC000678478696 543529639 /nfs/dbraw/zinc/52/96/39/543529639.db2.gz NJMNQGCKHOXGPS-LLVKDONJSA-N -1 3 285.347 3.300 20 0 CGADHM Cc1ccc2[n-]cc(C(=O)N3CC(C)(C)C[C@@H]3C)c(=O)c2c1 ZINC000331952491 292300481 /nfs/dbraw/zinc/30/04/81/292300481.db2.gz IHNFVWYLXRJHAF-LBPRGKRZSA-N -1 3 298.386 3.097 20 0 CGADHM Cc1ccc(C(=O)Nc2nnc(C(C)C)s2)c([O-])c1C ZINC000048544007 286906961 /nfs/dbraw/zinc/90/69/61/286906961.db2.gz VOTHBXKIOLVRKP-UHFFFAOYSA-N -1 3 291.376 3.236 20 0 CGADHM COc1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2C)c([O-])c1 ZINC000055482052 286945612 /nfs/dbraw/zinc/94/56/12/286945612.db2.gz WAVNKLXARKFMLW-BXUZGUMPSA-N -1 3 277.364 3.052 20 0 CGADHM CC[C@@H]1CCC[C@@H](NC(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000077839287 287043077 /nfs/dbraw/zinc/04/30/77/287043077.db2.gz QHVONJVMGOXZOS-DGCLKSJQSA-N -1 3 294.370 3.299 20 0 CGADHM Cc1ccc(-c2nc([C@@H]3Cc4ccccc43)no2)c([O-])c1 ZINC000086492385 287083026 /nfs/dbraw/zinc/08/30/26/287083026.db2.gz FYYRQWLZTHJOCL-CQSZACIVSA-N -1 3 278.311 3.439 20 0 CGADHM C[C@@]1(C(=O)[O-])CCN(Cc2ccccc2C(F)(F)F)C1 ZINC000062935829 165029823 /nfs/dbraw/zinc/02/98/23/165029823.db2.gz CMIMIDUKDQCJEJ-CYBMUJFWSA-N -1 3 287.281 3.002 20 0 CGADHM Cc1ccc(CCC(=O)Nc2ccc([O-])cc2F)cc1 ZINC000070333209 165058403 /nfs/dbraw/zinc/05/84/03/165058403.db2.gz WRDMKRBNJWSKOG-UHFFFAOYSA-N -1 3 273.307 3.411 20 0 CGADHM C[C@H]1CCC[C@H](C)C1NC(=O)NCc1ccc([O-])c(F)c1 ZINC000081497754 165165380 /nfs/dbraw/zinc/16/53/80/165165380.db2.gz WIYOYIQZBCGTBQ-QWRGUYRKSA-N -1 3 294.370 3.155 20 0 CGADHM CC(C)(CCNCc1cc(F)ccc1F)CCC(=O)[O-] ZINC000087677083 165189030 /nfs/dbraw/zinc/18/90/30/165189030.db2.gz HSZWAJFTDUHHLA-UHFFFAOYSA-N -1 3 285.334 3.336 20 0 CGADHM C[C@H](CCC[C@H](C)NCc1cc(F)ccc1F)C(=O)[O-] ZINC000087679358 165190926 /nfs/dbraw/zinc/19/09/26/165190926.db2.gz OTEPXWKRPWGDEF-MNOVXSKESA-N -1 3 285.334 3.334 20 0 CGADHM Cc1ccc([O-])c(CN2C[C@@H](C)OC[C@@H]2c2ccccc2)n1 ZINC000093660611 165336232 /nfs/dbraw/zinc/33/62/32/165336232.db2.gz RZLKAQTYUZFGLB-RHSMWYFYSA-N -1 3 298.386 3.058 20 0 CGADHM CCc1ccc([O-])c(C(=O)N(C)[C@H](C)c2cccc(O)c2)c1 ZINC000092602210 287112877 /nfs/dbraw/zinc/11/28/77/287112877.db2.gz DAVVXXIZRHASNZ-GFCCVEGCSA-N -1 3 299.370 3.493 20 0 CGADHM CCc1ccc([O-])c(C(=O)N(C)c2ccccc2)c1 ZINC000093900219 287120134 /nfs/dbraw/zinc/12/01/34/287120134.db2.gz LMLLCRGDCALDTG-UHFFFAOYSA-N -1 3 255.317 3.231 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CCC[C@@H]2C2CCC2)c1 ZINC000094105858 287121509 /nfs/dbraw/zinc/12/15/09/287121509.db2.gz OKMIATLTECBVPC-OAHLLOKOSA-N -1 3 273.376 3.359 20 0 CGADHM Cc1ccc(-c2nc(-c3cccc(C)n3)no2)c([O-])c1 ZINC000111688698 287136215 /nfs/dbraw/zinc/13/62/15/287136215.db2.gz NHRNAWAEYRSJCZ-UHFFFAOYSA-N -1 3 267.288 3.121 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)c2cc(C(C)C)[nH]n2)c1[O-] ZINC000116980597 287158693 /nfs/dbraw/zinc/15/86/93/287158693.db2.gz LYAPZLPILYLYLL-UHFFFAOYSA-N -1 3 293.754 3.453 20 0 CGADHM CCc1cc(NC(=O)c2cccc3nn[n-]c32)ccc1C ZINC000119131780 287165467 /nfs/dbraw/zinc/16/54/67/287165467.db2.gz JDTVXQBEIVBIQL-UHFFFAOYSA-N -1 3 280.331 3.081 20 0 CGADHM CCc1cc(NC(=O)c2cccc3[n-]nnc32)ccc1C ZINC000119131780 287165468 /nfs/dbraw/zinc/16/54/68/287165468.db2.gz JDTVXQBEIVBIQL-UHFFFAOYSA-N -1 3 280.331 3.081 20 0 CGADHM CCc1cc(NC(=O)c2cccc3n[n-]nc32)ccc1C ZINC000119131780 287165470 /nfs/dbraw/zinc/16/54/70/287165470.db2.gz JDTVXQBEIVBIQL-UHFFFAOYSA-N -1 3 280.331 3.081 20 0 CGADHM O=C(/C=C/c1ccc(Cl)nc1)Nc1ccc([O-])cc1F ZINC000119466638 287169762 /nfs/dbraw/zinc/16/97/62/287169762.db2.gz JHBGDVPWGGXRSJ-QHHAFSJGSA-N -1 3 292.697 3.232 20 0 CGADHM CC1(C)C[C@@H]1C(=O)Nc1ccc(Br)cc1[O-] ZINC000123926388 287226973 /nfs/dbraw/zinc/22/69/73/287226973.db2.gz OYMLXIQETCFATP-MRVPVSSYSA-N -1 3 284.153 3.139 20 0 CGADHM CC[C@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000007307845 170277216 /nfs/dbraw/zinc/27/72/16/170277216.db2.gz BXOAOYMAOGCXLK-ZETCQYMHSA-N -1 3 282.192 3.070 20 0 CGADHM CCOC(=O)c1ccc(NC(=O)C2CCCCC2)c([O-])c1 ZINC000124786233 287237289 /nfs/dbraw/zinc/23/72/89/287237289.db2.gz RWUDLVZHGKWJFQ-UHFFFAOYSA-N -1 3 291.347 3.088 20 0 CGADHM Cc1ccc(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)cn1 ZINC000125253826 287241746 /nfs/dbraw/zinc/24/17/46/287241746.db2.gz DGGXQOPVYJBOCB-UHFFFAOYSA-N -1 3 296.248 3.367 20 0 CGADHM Cc1cccc(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)n1 ZINC000125260737 287241825 /nfs/dbraw/zinc/24/18/25/287241825.db2.gz SAHREUNDVGPHFZ-UHFFFAOYSA-N -1 3 296.248 3.367 20 0 CGADHM CCN(Cc1ccccc1)C(=O)c1cccc(OC)c1[O-] ZINC000020298627 171138264 /nfs/dbraw/zinc/13/82/64/171138264.db2.gz BNHNSBHHKRNGOQ-UHFFFAOYSA-N -1 3 285.343 3.063 20 0 CGADHM Cc1cc(C(=O)Nc2ccccc2[O-])cc(C)c1F ZINC000125920943 287253407 /nfs/dbraw/zinc/25/34/07/287253407.db2.gz NJLCFNCMYWCFSY-UHFFFAOYSA-N -1 3 259.280 3.400 20 0 CGADHM Cc1cccc(-c2noc(-c3ccccc3[O-])n2)c1 ZINC000022119990 171353525 /nfs/dbraw/zinc/35/35/25/171353525.db2.gz QQDGRGBNOCPYDB-UHFFFAOYSA-N -1 3 252.273 3.418 20 0 CGADHM COc1cccc(-c2noc(-c3ccccc3[O-])n2)c1 ZINC000022119998 171353611 /nfs/dbraw/zinc/35/36/11/171353611.db2.gz IZUJJIWMDZWZDT-UHFFFAOYSA-N -1 3 268.272 3.118 20 0 CGADHM Cc1ccc(C(=O)N2CCC[C@H]3CCCC[C@H]32)c([O-])c1 ZINC000035219411 172060560 /nfs/dbraw/zinc/06/05/60/172060560.db2.gz LRMYHDFGMRDLGQ-UKRRQHHQSA-N -1 3 273.376 3.495 20 0 CGADHM CCc1ccc(/C=C/C(=O)NCc2ccc([O-])c(F)c2)o1 ZINC000127532486 287289791 /nfs/dbraw/zinc/28/97/91/287289791.db2.gz COWXSZRZKLMLMO-SOFGYWHQSA-N -1 3 289.306 3.016 20 0 CGADHM Cc1ccc(NC(=O)c2ccc(N(C)C)cc2F)c([O-])c1 ZINC000127999868 287301244 /nfs/dbraw/zinc/30/12/44/287301244.db2.gz SJJFJJKTOVXBCK-UHFFFAOYSA-N -1 3 288.322 3.158 20 0 CGADHM Cc1cccc(CCC(=O)Nc2cccc([O-])c2F)c1 ZINC000128751975 287317543 /nfs/dbraw/zinc/31/75/43/287317543.db2.gz XFYBBSQDFVTYIY-UHFFFAOYSA-N -1 3 273.307 3.411 20 0 CGADHM CC(C)c1nc(C(=O)Nc2cccc([O-])c2F)cs1 ZINC000129127024 287324772 /nfs/dbraw/zinc/32/47/72/287324772.db2.gz XZSFQGOCWZROJZ-UHFFFAOYSA-N -1 3 280.324 3.364 20 0 CGADHM COc1ccc(CCC(=O)Nc2cccc([O-])c2F)cc1 ZINC000129225246 287327059 /nfs/dbraw/zinc/32/70/59/287327059.db2.gz BUGVMFYWWJDTMG-UHFFFAOYSA-N -1 3 289.306 3.111 20 0 CGADHM O=C([O-])[C@H]1CN(CCCc2ccccc2)Cc2ccccc21 ZINC000316177844 416539443 /nfs/dbraw/zinc/53/94/43/416539443.db2.gz YKLYGRBAOWQIMX-SFHVURJKSA-N -1 3 295.382 3.303 20 0 CGADHM CC[C@H]1CN(C(=O)c2cc([O-])ccc2Cl)[C@@H](CC)CO1 ZINC000403799273 416550374 /nfs/dbraw/zinc/55/03/74/416550374.db2.gz DWFUSBYKXFFLHZ-JQWIXIFHSA-N -1 3 297.782 3.075 20 0 CGADHM CC1(C)C[C@H]([N-]c2nc(-c3ccccc3)no2)C(C)(C)O1 ZINC000679191117 543598359 /nfs/dbraw/zinc/59/83/59/543598359.db2.gz RADMNWCZCCRFAB-LBPRGKRZSA-N -1 3 287.363 3.495 20 0 CGADHM Cc1ccc(NC(=O)c2cccc(OC(C)C)n2)c([O-])c1 ZINC000129846496 287339772 /nfs/dbraw/zinc/33/97/72/287339772.db2.gz QQRREHQXAAXIBD-UHFFFAOYSA-N -1 3 286.331 3.135 20 0 CGADHM CCC[C@@H](NC(=O)c1ccc([O-])c(C)c1)c1ccccn1 ZINC000679409911 543636133 /nfs/dbraw/zinc/63/61/33/543636133.db2.gz UWFBUPKOQPNGNV-OAHLLOKOSA-N -1 3 284.359 3.367 20 0 CGADHM CO[C@H]1CCCN(C(=O)c2ccc(C(C)C)cc2[O-])CC1 ZINC000680006506 543675706 /nfs/dbraw/zinc/67/57/06/543675706.db2.gz OCJMYLDBCTZJSW-AWEZNQCLSA-N -1 3 291.391 3.157 20 0 CGADHM O=C([N-]c1cc(F)ccc1F)c1coc(C2CC2)n1 ZINC000680836845 543738749 /nfs/dbraw/zinc/73/87/49/543738749.db2.gz YAWYBYVTCBOGKD-UHFFFAOYSA-N -1 3 264.231 3.083 20 0 CGADHM C[C@@H]1CCCN(Cc2cc3ccccc3o2)[C@H]1C(=O)[O-] ZINC000334648122 287355087 /nfs/dbraw/zinc/35/50/87/287355087.db2.gz QJGCAGWBYNDPBG-IAQYHMDHSA-N -1 3 273.332 3.118 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)[C@H](C)C2CCOCC2)c1[O-] ZINC000131826206 287390394 /nfs/dbraw/zinc/39/03/94/287390394.db2.gz SLBHVBIFVZWVGK-SNVBAGLBSA-N -1 3 297.782 3.355 20 0 CGADHM CSc1ccncc1[N-]C(=O)c1coc(C2CCC2)n1 ZINC000683493345 543918416 /nfs/dbraw/zinc/91/84/16/543918416.db2.gz FHTKDNJEGGIBLV-UHFFFAOYSA-N -1 3 289.360 3.311 20 0 CGADHM Cc1nc(C(=O)Nc2c(C)cccc2[O-])sc1C ZINC000683631088 543929972 /nfs/dbraw/zinc/92/99/72/543929972.db2.gz MQJFPJWJSWYZBH-UHFFFAOYSA-N -1 3 262.334 3.026 20 0 CGADHM Cc1cccc(NC(=O)c2cc([O-])ccc2Cl)c1O ZINC000683920427 543953245 /nfs/dbraw/zinc/95/32/45/543953245.db2.gz ZTTRVKJUPNSLQN-UHFFFAOYSA-N -1 3 277.707 3.312 20 0 CGADHM [O-]c1ccc(-c2noc([C@@H]3Cc4ccc(F)cc43)n2)cc1 ZINC000684609770 544019325 /nfs/dbraw/zinc/01/93/25/544019325.db2.gz ZSDUXDHDELYOJW-CQSZACIVSA-N -1 3 282.274 3.269 20 0 CGADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@H]1CCCS1 ZINC000134224618 287438175 /nfs/dbraw/zinc/43/81/75/287438175.db2.gz KKPIPUVGLCWHBJ-SNVBAGLBSA-N -1 3 291.294 3.245 20 0 CGADHM CCc1ncsc1C(=O)[N-]c1c(F)cccc1F ZINC000136504493 287484124 /nfs/dbraw/zinc/48/41/24/287484124.db2.gz DYHXDXVWQVSAAV-UHFFFAOYSA-N -1 3 268.288 3.236 20 0 CGADHM Cc1oc([C@H](C)N2CCS[C@@H](C(C)C)C2)cc1C(=O)[O-] ZINC000652439186 418967700 /nfs/dbraw/zinc/96/77/00/418967700.db2.gz ZXRLTXXQTWOUOK-IINYFYTJSA-N -1 3 297.420 3.421 20 0 CGADHM Cc1ccc(CCN2Cc3ccccc3[C@H](C(=O)[O-])C2)cc1 ZINC000652470536 418973464 /nfs/dbraw/zinc/97/34/64/418973464.db2.gz ZRHHUWVNUBOUEH-GOSISDBHSA-N -1 3 295.382 3.222 20 0 CGADHM CN(Cc1ccc(Cl)cc1Cl)[C@@H](C(=O)[O-])C1CC1 ZINC000652374544 418960312 /nfs/dbraw/zinc/96/03/12/418960312.db2.gz VJNJDWBKDQWBIN-GFCCVEGCSA-N -1 3 288.174 3.288 20 0 CGADHM C[C@@H]1CC[C@@H](C)N(Cc2csc(C(=O)[O-])c2)C1 ZINC000652418925 418964369 /nfs/dbraw/zinc/96/43/69/418964369.db2.gz VBWNWMVIXRBSRG-NXEZZACHSA-N -1 3 253.367 3.067 20 0 CGADHM CC[C@@H](CC(F)F)CN1CCc2ccc(C(=O)[O-])cc2C1 ZINC000659789626 418989778 /nfs/dbraw/zinc/98/97/78/418989778.db2.gz SMXJYVDUKPZJDG-NSHDSACASA-N -1 3 297.345 3.424 20 0 CGADHM [O-]c1ccccc1-c1nc([C@@H]2CCC[C@H]3C[C@H]32)no1 ZINC000656046479 419135573 /nfs/dbraw/zinc/13/55/73/419135573.db2.gz AFFGBNQVBBMKSI-HOSYDEDBSA-N -1 3 256.305 3.346 20 0 CGADHM Cc1cc(S(=O)(=O)[N-]C(C)(C)C(C)(F)F)sc1C ZINC000656186055 419147416 /nfs/dbraw/zinc/14/74/16/419147416.db2.gz AGGVPTYHTXKSRL-UHFFFAOYSA-N -1 3 297.392 3.077 20 0 CGADHM CC[C@@H]1CCCN(C(=O)c2cc(SC)ccc2[O-])C1 ZINC000666301906 419206926 /nfs/dbraw/zinc/20/69/26/419206926.db2.gz CHJKDXGIDXXYRE-LLVKDONJSA-N -1 3 279.405 3.376 20 0 CGADHM COc1cccc(CN(CCC(=O)[O-])CC(C)C)c1Cl ZINC000656756627 419209381 /nfs/dbraw/zinc/20/93/81/419209381.db2.gz MJJDSUVHIXZCQV-UHFFFAOYSA-N -1 3 299.798 3.281 20 0 CGADHM O=C([O-])c1cc(CN2CCC(c3ccco3)CC2)cs1 ZINC000656756489 419209832 /nfs/dbraw/zinc/20/98/32/419209832.db2.gz FFLIQSJPMNRHLC-UHFFFAOYSA-N -1 3 291.372 3.419 20 0 CGADHM CC(C)[C@@H]([N-]S(=O)(=O)c1ccco1)c1ccccc1F ZINC000657109486 419227674 /nfs/dbraw/zinc/22/76/74/419227674.db2.gz IRUVNQFWBMGXNU-CQSZACIVSA-N -1 3 297.351 3.094 20 0 CGADHM Cc1cccc(S(=O)(=O)[N-]CCC(C)(C)F)c1Cl ZINC000657141471 419228562 /nfs/dbraw/zinc/22/85/62/419228562.db2.gz ADJBQGCJBOFCPJ-UHFFFAOYSA-N -1 3 293.791 3.065 20 0 CGADHM CO[C@H](CNCc1cccc([O-])c1Cl)C1CCCC1 ZINC000657768486 419341020 /nfs/dbraw/zinc/34/10/20/419341020.db2.gz NOFDXKLNMDEVQN-CQSZACIVSA-N -1 3 283.799 3.340 20 0 CGADHM CC1(C)C[C@]1(C)NCc1cccc([O-])c1Br ZINC000657761009 419337614 /nfs/dbraw/zinc/33/76/14/419337614.db2.gz DRFYGDMOVBUOHK-ZDUSSCGKSA-N -1 3 284.197 3.433 20 0 CGADHM [O-]c1cccc(CNCCCc2ccco2)c1Cl ZINC000657783216 419347619 /nfs/dbraw/zinc/34/76/19/419347619.db2.gz SENLWGBWIBUTPG-UHFFFAOYSA-N -1 3 265.740 3.361 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)N(C)C[C@H]2CCc3ccccc32)n1 ZINC000662195986 419354099 /nfs/dbraw/zinc/35/40/99/419354099.db2.gz DMUHTEQXDCIZBP-UKRRQHHQSA-N -1 3 297.402 3.213 20 0 CGADHM CCS[C@@H]1CCC[C@@H]1NC(=O)c1cccc(C)c1[O-] ZINC000225705314 287632881 /nfs/dbraw/zinc/63/28/81/287632881.db2.gz JAWSPBULLZOQHR-QWHCGFSZSA-N -1 3 279.405 3.105 20 0 CGADHM Cc1cc(C(=O)NCCc2ccc(F)cc2C)ccc1[O-] ZINC000227038841 287636770 /nfs/dbraw/zinc/63/67/70/287636770.db2.gz RPEZYTOYJOZFRH-UHFFFAOYSA-N -1 3 287.334 3.121 20 0 CGADHM CC(C)[C@H]1CCCC[C@H]1NC(=O)c1cccc([O-])c1 ZINC000215138002 260110791 /nfs/dbraw/zinc/11/07/91/260110791.db2.gz FUXVCAWROLNPQV-HUUCEWRRSA-N -1 3 261.365 3.337 20 0 CGADHM Cc1ccc(C(=O)NCc2cccc(Cl)c2)c([O-])c1 ZINC000051448966 260209571 /nfs/dbraw/zinc/20/95/71/260209571.db2.gz TXFBVGBMUKEFJJ-UHFFFAOYSA-N -1 3 275.735 3.284 20 0 CGADHM O=C(Nc1ccc(OC(F)F)cc1)c1cccc([O-])c1 ZINC000037326128 270029073 /nfs/dbraw/zinc/02/90/73/270029073.db2.gz WHNWCKSHXZURJF-UHFFFAOYSA-N -1 3 279.242 3.246 20 0 CGADHM CCN(Cc1cccs1)C(=O)c1ccc(C)cc1[O-] ZINC000042273561 270032329 /nfs/dbraw/zinc/03/23/29/270032329.db2.gz WCMJILCHYWZLSZ-UHFFFAOYSA-N -1 3 275.373 3.424 20 0 CGADHM COc1ccc(OC)c(/C=C/C(=O)Nc2ccccc2[O-])c1 ZINC000075290120 270042110 /nfs/dbraw/zinc/04/21/10/270042110.db2.gz UXFHPGHHLQVKMF-JXMROGBWSA-N -1 3 299.326 3.061 20 0 CGADHM CC(C)c1cc(C(=O)[N-]c2ccc(F)c(F)c2F)no1 ZINC000082338921 270043048 /nfs/dbraw/zinc/04/30/48/270043048.db2.gz OGKIDJNBWDTOKZ-UHFFFAOYSA-N -1 3 284.237 3.468 20 0 CGADHM CC[C@@H](CNC(=O)c1cccc([O-])c1)Oc1cccc(C)c1 ZINC000182564811 270054206 /nfs/dbraw/zinc/05/42/06/270054206.db2.gz YVFNUDWWGDUCPJ-INIZCTEOSA-N -1 3 299.370 3.288 20 0 CGADHM Cc1ncc(/C=C/C(=O)Nc2c(C)cccc2[O-])s1 ZINC000183016028 270055039 /nfs/dbraw/zinc/05/50/39/270055039.db2.gz LCVCFKDTVSNEJM-VOTSOKGWSA-N -1 3 274.345 3.117 20 0 CGADHM COc1ccc([O-])c(C(=O)NCCCCC(C)(C)C)c1 ZINC000519167757 265350810 /nfs/dbraw/zinc/35/08/10/265350810.db2.gz MOMCSZUEANTXCI-UHFFFAOYSA-N -1 3 279.380 3.347 20 0 CGADHM COc1ccc(Cl)cc1CNCc1cc([O-])cc(F)c1 ZINC000185496179 270062798 /nfs/dbraw/zinc/06/27/98/270062798.db2.gz UJCQOBQXIJKDRN-UHFFFAOYSA-N -1 3 295.741 3.483 20 0 CGADHM C[S@@](=O)Cc1cccc(NCc2cc([O-])cc(F)c2)c1 ZINC000185596877 270063632 /nfs/dbraw/zinc/06/36/32/270063632.db2.gz OHPFRMSPVBSZPH-HXUWFJFHSA-N -1 3 293.363 3.022 20 0 CGADHM COc1ccc([O-])c(C(=O)NCCCC2CCCC2)c1 ZINC000220603807 270086015 /nfs/dbraw/zinc/08/60/15/270086015.db2.gz IEVLSTZXPQMVEV-UHFFFAOYSA-N -1 3 277.364 3.101 20 0 CGADHM CCc1ccc(CNC(=O)c2ccc(C)cc2[O-])s1 ZINC000222633934 270086117 /nfs/dbraw/zinc/08/61/17/270086117.db2.gz KWBNSOSDAZSJGJ-UHFFFAOYSA-N -1 3 275.373 3.255 20 0 CGADHM CC(C)[C@@H](C)C(=O)Nc1ccc(Br)cc1[O-] ZINC000524168618 270111902 /nfs/dbraw/zinc/11/19/02/270111902.db2.gz RXEYSUNHIWUMST-MRVPVSSYSA-N -1 3 286.169 3.385 20 0 CGADHM C[C@@H](C(=O)[N-][C@H](C(C)(C)C)C(F)(F)F)C(F)(F)F ZINC000524772072 270115086 /nfs/dbraw/zinc/11/50/86/270115086.db2.gz MPEBCNWZEHYJSK-CAHLUQPWSA-N -1 3 279.224 3.278 20 0 CGADHM O=C([N-]OC1CCCC1)[C@@H]1CC[C@@H]1c1ccc(F)cc1 ZINC000528963255 270176559 /nfs/dbraw/zinc/17/65/59/270176559.db2.gz BSTUVDZMDLUOTM-HUUCEWRRSA-N -1 3 277.339 3.310 20 0 CGADHM CCC1(C)CN(C(=O)c2cc([O-])cc(Br)c2)C1 ZINC000529407586 270180485 /nfs/dbraw/zinc/18/04/85/270180485.db2.gz AYCKJWLFESBCDI-UHFFFAOYSA-N -1 3 298.180 3.027 20 0 CGADHM C[C@H](O[N-]C(=O)[C@@H]1[C@@H](C)[C@@H]1C1CC1)c1ccccc1 ZINC000529410643 270180636 /nfs/dbraw/zinc/18/06/36/270180636.db2.gz PQIBHQNDANHIKI-UOVKNHIHSA-N -1 3 259.349 3.088 20 0 CGADHM [O-]c1cccnc1CN[C@H]1CCc2cc(F)c(Cl)cc21 ZINC000529557326 270184771 /nfs/dbraw/zinc/18/47/71/270184771.db2.gz MHWBNPNSDSXQPC-ZDUSSCGKSA-N -1 3 292.741 3.357 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)[C@@H]2CC=CCC2)c1-c1ccc(F)cc1 ZINC000530275339 270198069 /nfs/dbraw/zinc/19/80/69/270198069.db2.gz ZGEOEOBUVYPZNB-CYBMUJFWSA-N -1 3 299.349 3.241 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)[C@@H]2CC[C@H](C)C2)c1-c1ccc(C)cc1 ZINC000530275004 270198214 /nfs/dbraw/zinc/19/82/14/270198214.db2.gz YZZKXBDYAGEEGC-SWLSCSKDSA-N -1 3 297.402 3.490 20 0 CGADHM C[C@@H](CN(C)C(=O)c1c([O-])cccc1O)C1CCCCC1 ZINC000530276546 270198230 /nfs/dbraw/zinc/19/82/30/270198230.db2.gz LZCZNIYULRNPSU-LBPRGKRZSA-N -1 3 291.391 3.386 20 0 CGADHM Cc1ccccc1-c1cc(=NC(=O)[C@H]2CC23CCCC3)[nH][n-]1 ZINC000530625141 270201331 /nfs/dbraw/zinc/20/13/31/270201331.db2.gz DHRUVVJHAHNHFP-CQSZACIVSA-N -1 3 295.386 3.326 20 0 CGADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccccc3)c[n-]c12 ZINC000154825704 274700492 /nfs/dbraw/zinc/70/04/92/274700492.db2.gz ORLUPJPFKGCDOA-UHFFFAOYSA-N -1 3 296.301 3.228 20 0 CGADHM CC(C)n1cccc1C(=O)N1CCCc2cccc([O-])c21 ZINC000063063932 276085479 /nfs/dbraw/zinc/08/54/79/276085479.db2.gz MCCVPHOWDVAFQW-UHFFFAOYSA-N -1 3 284.359 3.368 20 0 CGADHM CC1(C)CC[C@@H](c2nc(-c3ccc([O-])cc3)no2)O1 ZINC000278936343 276115790 /nfs/dbraw/zinc/11/57/90/276115790.db2.gz FQSYKVHPAXVRHP-NSHDSACASA-N -1 3 260.293 3.072 20 0 CGADHM CC[C@H](C)[C@@H](OC)C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000356526555 287974526 /nfs/dbraw/zinc/97/45/26/287974526.db2.gz DPAAWTBYDZRRNF-ISVAXAHUSA-N -1 3 285.771 3.354 20 0 CGADHM C[C@@H]1CCCCN1C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436755059 277673783 /nfs/dbraw/zinc/67/37/83/277673783.db2.gz LUARTRMRWXCRPU-GFCCVEGCSA-N -1 3 273.376 3.286 20 0 CGADHM CC(C)c1ccc(C(=O)N2CCSC[C@H]2C)c([O-])c1 ZINC000271446955 278026033 /nfs/dbraw/zinc/02/60/33/278026033.db2.gz WONQTAURRHKNJG-LLVKDONJSA-N -1 3 279.405 3.093 20 0 CGADHM C[C@@H]1CN(C(=O)c2cc(=O)c3ccccc3[n-]2)CC(C)(C)C1 ZINC000336590054 278681141 /nfs/dbraw/zinc/68/11/41/278681141.db2.gz VCQOHSCDWIGHBM-LBPRGKRZSA-N -1 3 298.386 3.036 20 0 CGADHM Cc1ccc(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)cn1 ZINC000436598396 278833755 /nfs/dbraw/zinc/83/37/55/278833755.db2.gz YZCAUKPDIVXLSY-UHFFFAOYSA-N -1 3 298.342 3.061 20 0 CGADHM CCc1ccc(NC(=O)c2cccc3nn[n-]c32)cc1CC ZINC000526120099 288150408 /nfs/dbraw/zinc/15/04/08/288150408.db2.gz GEVVSTUMTXPLBE-UHFFFAOYSA-N -1 3 294.358 3.335 20 0 CGADHM CCc1ccc(NC(=O)c2cccc3[n-]nnc32)cc1CC ZINC000526120099 288150411 /nfs/dbraw/zinc/15/04/11/288150411.db2.gz GEVVSTUMTXPLBE-UHFFFAOYSA-N -1 3 294.358 3.335 20 0 CGADHM CCc1ccc(NC(=O)c2cccc3n[n-]nc32)cc1CC ZINC000526120099 288150414 /nfs/dbraw/zinc/15/04/14/288150414.db2.gz GEVVSTUMTXPLBE-UHFFFAOYSA-N -1 3 294.358 3.335 20 0 CGADHM CCCCOc1ccc(C(=O)N2[C@H](C)C[C@@H]2C)c([O-])c1 ZINC000526959553 288153462 /nfs/dbraw/zinc/15/34/62/288153462.db2.gz PTSQCJHRXNMPCS-TXEJJXNPSA-N -1 3 277.364 3.194 20 0 CGADHM CC[C@H](c1ccc(F)cc1F)N1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC000422586963 288155386 /nfs/dbraw/zinc/15/53/86/288155386.db2.gz HBLOIOQNCNFNEL-FIXISWKDSA-N -1 3 297.345 3.459 20 0 CGADHM CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[N-]S(=O)(=O)c1ccco1 ZINC000527326464 288166970 /nfs/dbraw/zinc/16/69/70/288166970.db2.gz JPHUXEGSUNTBIZ-UPJWGTAASA-N -1 3 285.409 3.019 20 0 CGADHM O=C(Nc1ncccc1[O-])[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000341887474 280065057 /nfs/dbraw/zinc/06/50/57/280065057.db2.gz LJESXECCFOIZIR-KBXCAEBGSA-N -1 3 294.354 3.020 20 0 CGADHM O=C(c1ccoc1Cl)N1CCCc2cccc([O-])c21 ZINC000192398205 280223016 /nfs/dbraw/zinc/22/30/16/280223016.db2.gz RSTXTPAPQNRORN-UHFFFAOYSA-N -1 3 277.707 3.232 20 0 CGADHM Cc1cc(C(=O)NC2(Cc3ccc(F)cc3)CC2)ccc1[O-] ZINC000456416975 280347201 /nfs/dbraw/zinc/34/72/01/280347201.db2.gz JGZGOGUUDSHNEW-UHFFFAOYSA-N -1 3 299.345 3.345 20 0 CGADHM Cc1ccc(CN2[C@H](C)C[C@@H](C(=O)[O-])C[C@@H]2C)cc1F ZINC000530172348 288292323 /nfs/dbraw/zinc/29/23/23/288292323.db2.gz HTUSMLHJAGDDOL-DABQJJPHSA-N -1 3 279.355 3.208 20 0 CGADHM C[C@H]1CC(F)(F)CCN1Cc1cccc(C(=O)[O-])c1 ZINC000530173488 288292768 /nfs/dbraw/zinc/29/27/68/288292768.db2.gz PPWPYXUFTZQHSC-JTQLQIEISA-N -1 3 269.291 3.004 20 0 CGADHM C[C@@H]1CC(C(=O)[O-])C[C@@H](C)N1Cc1cc(F)cc(F)c1 ZINC000530180377 288296811 /nfs/dbraw/zinc/29/68/11/288296811.db2.gz YJUODQHEXXCOJA-NXEZZACHSA-N -1 3 283.318 3.038 20 0 CGADHM Cc1cccc2c1CC[C@@H]2NC(=O)c1cccc(C)c1[O-] ZINC000517878306 281269308 /nfs/dbraw/zinc/26/93/08/281269308.db2.gz MWZSDDPRPIYTAV-INIZCTEOSA-N -1 3 281.355 3.426 20 0 CGADHM CCc1cccc(C(=O)NC[C@H](OC)c2ccccc2)c1[O-] ZINC000530955493 288320339 /nfs/dbraw/zinc/32/03/39/288320339.db2.gz UUHZXEAKQRWLHE-INIZCTEOSA-N -1 3 299.370 3.072 20 0 CGADHM CCc1ccc(C(=O)N2C[C@H](C)C[C@@H]2CC)c([O-])c1 ZINC000436833845 281399079 /nfs/dbraw/zinc/39/90/79/281399079.db2.gz NAVRVSIZJJSORC-YPMHNXCESA-N -1 3 261.365 3.215 20 0 CGADHM O=S(=O)(Cc1ccccc1)[N-]c1cncc2ccccc21 ZINC000536502813 288482808 /nfs/dbraw/zinc/48/28/08/288482808.db2.gz QAGCLSZJFWPZEY-UHFFFAOYSA-N -1 3 298.367 3.177 20 0 CGADHM CC[C@@]1(C)C[C@H]1C(=O)N=c1cc(-c2ccccc2C)[n-][nH]1 ZINC000537118994 288515159 /nfs/dbraw/zinc/51/51/59/288515159.db2.gz OTKFHYPXIVZAJM-GUYCJALGSA-N -1 3 283.375 3.182 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CC[C@@H](C)C(C)(C)C2)c1 ZINC000546133311 288916937 /nfs/dbraw/zinc/91/69/37/288916937.db2.gz GCTSBQQSXYKSCX-GFCCVEGCSA-N -1 3 275.392 3.463 20 0 CGADHM C[C@@H]1SCCN(C(=O)c2cc([O-])ccc2Cl)[C@H]1C ZINC000235373467 288943408 /nfs/dbraw/zinc/94/34/08/288943408.db2.gz SAJVYJFBGVQJPE-IUCAKERBSA-N -1 3 285.796 3.012 20 0 CGADHM CCc1cccc(-c2nc(CC(F)(F)F)no2)c1[O-] ZINC000547001731 288946604 /nfs/dbraw/zinc/94/66/04/288946604.db2.gz OCVFGDOVQSFGAN-UHFFFAOYSA-N -1 3 272.226 3.109 20 0 CGADHM CC(=O)c1cccc(NC(=O)CCc2ccc(C)o2)c1[O-] ZINC000552069902 289159250 /nfs/dbraw/zinc/15/92/50/289159250.db2.gz QCUWBHUOROLNKQ-UHFFFAOYSA-N -1 3 287.315 3.068 20 0 CGADHM CCc1oc(C(=O)Nc2cccc(C(C)=O)c2[O-])cc1C ZINC000552069207 289159257 /nfs/dbraw/zinc/15/92/57/289159257.db2.gz ILMHKRABXNNMMS-UHFFFAOYSA-N -1 3 287.315 3.311 20 0 CGADHM Cc1cccc(OCC(=O)Nc2c([O-])cccc2Cl)c1 ZINC000552780649 289198468 /nfs/dbraw/zinc/19/84/68/289198468.db2.gz JPPCESHUZZXQEL-UHFFFAOYSA-N -1 3 291.734 3.372 20 0 CGADHM O=C(CCc1ccoc1)Nc1c([O-])cccc1Cl ZINC000552783292 289198944 /nfs/dbraw/zinc/19/89/44/289198944.db2.gz NBLDWJDPUZUZJF-UHFFFAOYSA-N -1 3 265.696 3.210 20 0 CGADHM C[C@H](CCC(=O)N=c1cc2ccccn2[n-]1)c1ccccc1 ZINC000552986164 289204684 /nfs/dbraw/zinc/20/46/84/289204684.db2.gz NRIYVPBFKMSSHT-CQSZACIVSA-N -1 3 293.370 3.279 20 0 CGADHM CCc1cc(C(=O)Nc2ccccc2OC)ccc1[O-] ZINC000553254822 289216059 /nfs/dbraw/zinc/21/60/59/289216059.db2.gz VBAMYWMCZVFTAJ-UHFFFAOYSA-N -1 3 271.316 3.216 20 0 CGADHM O=c1cc(C=C2COc3ccc(F)cc32)nc(C2CC2)[n-]1 ZINC000554518624 289288775 /nfs/dbraw/zinc/28/87/75/289288775.db2.gz LLTHTGWPDMQKJJ-BJMVGYQFSA-N -1 3 284.290 3.132 20 0 CGADHM COc1cccc2c1n[n-]c2C(=O)Nc1ccc(C)cc1C ZINC000554777093 289308772 /nfs/dbraw/zinc/30/87/72/289308772.db2.gz DRJIBUVJURWFAS-UHFFFAOYSA-N -1 3 295.342 3.441 20 0 CGADHM COc1cccc2c(C(=O)Nc3ccc(C)cc3C)n[n-]c21 ZINC000554777093 289308774 /nfs/dbraw/zinc/30/87/74/289308774.db2.gz DRJIBUVJURWFAS-UHFFFAOYSA-N -1 3 295.342 3.441 20 0 CGADHM C[C@@H](c1cc(F)ccc1F)N(C)Cc1ncccc1[O-] ZINC000554849652 289313415 /nfs/dbraw/zinc/31/34/15/289313415.db2.gz ZIWCKLKRMXFHBL-JTQLQIEISA-N -1 3 278.302 3.258 20 0 CGADHM CC(C)OC1CC(SCc2cc(=O)[n-]c(C3CC3)n2)C1 ZINC000557273306 289436432 /nfs/dbraw/zinc/43/64/32/289436432.db2.gz YLNQRAALWRFGPO-UHFFFAOYSA-N -1 3 294.420 3.249 20 0 CGADHM C[C@H]1CC[C@H](C)N1C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000183150211 300063426 /nfs/dbraw/zinc/06/34/26/300063426.db2.gz SUUAUUOBEDUOPV-RYUDHWBXSA-N -1 3 273.376 3.284 20 0 CGADHM Cc1cc(N2C[C@H](C)C[C@H](C(=O)[O-])C2)c2ccccc2n1 ZINC000263266733 301344327 /nfs/dbraw/zinc/34/43/27/301344327.db2.gz VMXSALUIOYGHCC-YPMHNXCESA-N -1 3 284.359 3.090 20 0 CGADHM C[C@@H]1CCN(C(=O)c2cccc(O)c2)c2c([O-])cccc21 ZINC000186333596 327687219 /nfs/dbraw/zinc/68/72/19/327687219.db2.gz YZZAPQFZCVFXKI-LLVKDONJSA-N -1 3 283.327 3.252 20 0 CGADHM CCC[C@H](C)S(=O)(=O)[N-]c1cnn([C@H](C)CC)c1C ZINC000582550187 329106037 /nfs/dbraw/zinc/10/60/37/329106037.db2.gz OWYLOEAHOYZZRM-MNOVXSKESA-N -1 3 287.429 3.093 20 0 CGADHM CCc1cccc(C(=O)NCCCC(C)(C)COC)c1[O-] ZINC000582142794 328300436 /nfs/dbraw/zinc/30/04/36/328300436.db2.gz QXGNSCAAOYURLH-UHFFFAOYSA-N -1 3 293.407 3.137 20 0 CGADHM CCc1oc(C(=O)[N-]c2nnc(CC(C)C)s2)cc1C ZINC000157274261 321792677 /nfs/dbraw/zinc/79/26/77/321792677.db2.gz PJOKIJAWHJQYNL-UHFFFAOYSA-N -1 3 293.392 3.453 20 0 CGADHM O=C(C[C@@H](c1ccc(O)cc1)C1CC1)Nc1ncccc1[O-] ZINC000563192255 321983111 /nfs/dbraw/zinc/98/31/11/321983111.db2.gz FHDFPZXIKYQOGB-CQSZACIVSA-N -1 3 298.342 3.015 20 0 CGADHM Cc1cccc([C@@H](C)NCc2ncccc2[O-])c1C ZINC000563916296 322015167 /nfs/dbraw/zinc/01/51/67/322015167.db2.gz JJRWCCNRUSVDCP-CYBMUJFWSA-N -1 3 256.349 3.255 20 0 CGADHM CCc1cccc(C(=O)N2CC[C@H](CC3CC3)C2)c1[O-] ZINC000563991796 322017698 /nfs/dbraw/zinc/01/76/98/322017698.db2.gz CHXNCJXCHOGUIT-CYBMUJFWSA-N -1 3 273.376 3.217 20 0 CGADHM Cc1ccccc1[C@H](C)N(C)Cc1occc1C(=O)[O-] ZINC000564091722 322020006 /nfs/dbraw/zinc/02/00/06/322020006.db2.gz BOMABOOLIUHUOW-LBPRGKRZSA-N -1 3 273.332 3.479 20 0 CGADHM C[C@@H]1C[C@@H]1c1ccc(CN(CCCC(=O)[O-])C2CC2)o1 ZINC000564752386 322041351 /nfs/dbraw/zinc/04/13/51/322041351.db2.gz KELBNZNYMOXXQP-RISCZKNCSA-N -1 3 277.364 3.232 20 0 CGADHM C[C@@H](C(=O)Nc1nnc(-c2cc3ccccc3o2)[n-]1)C1CC1 ZINC000564852995 322046286 /nfs/dbraw/zinc/04/62/86/322046286.db2.gz HOEGBZXWKBRMBB-SECBINFHSA-N -1 3 296.330 3.203 20 0 CGADHM C[C@@H](C(=O)Nc1nc(-c2cc3ccccc3o2)n[n-]1)C1CC1 ZINC000564852995 322046288 /nfs/dbraw/zinc/04/62/88/322046288.db2.gz HOEGBZXWKBRMBB-SECBINFHSA-N -1 3 296.330 3.203 20 0 CGADHM C[C@@H](C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1)C1CC1 ZINC000564852995 322046290 /nfs/dbraw/zinc/04/62/90/322046290.db2.gz HOEGBZXWKBRMBB-SECBINFHSA-N -1 3 296.330 3.203 20 0 CGADHM CC(C)[C@H]1C[C@@H]1C(=O)Nc1c([O-])cccc1Cl ZINC000565197696 322066115 /nfs/dbraw/zinc/06/61/15/322066115.db2.gz AUUXQZQGYPBRBV-BDAKNGLRSA-N -1 3 253.729 3.276 20 0 CGADHM CC1(C)CN(Cc2ncccc2[O-])[C@H]1c1cccs1 ZINC000565742887 322089520 /nfs/dbraw/zinc/08/95/20/322089520.db2.gz FKAANJAQTIWZGF-AWEZNQCLSA-N -1 3 274.389 3.432 20 0 CGADHM [O-]c1cccnc1CN1CCCC[C@H]1c1ccco1 ZINC000565976391 322099392 /nfs/dbraw/zinc/09/93/92/322099392.db2.gz FFDLLXUZEUTOHF-ZDUSSCGKSA-N -1 3 258.321 3.107 20 0 CGADHM CC(C)[C@H]1CN([C@H](C(=O)[O-])c2ccccc2F)CCS1 ZINC000566074063 322103130 /nfs/dbraw/zinc/10/31/30/322103130.db2.gz LKUZXRWRFKRNPK-KGLIPLIRSA-N -1 3 297.395 3.025 20 0 CGADHM CC(=O)c1cccc(NC(=O)[C@H](C)CC(C)C)c1[O-] ZINC000566280330 322113693 /nfs/dbraw/zinc/11/36/93/322113693.db2.gz FHFYSRBPBKKTKG-SNVBAGLBSA-N -1 3 263.337 3.216 20 0 CGADHM CCc1cnc(S(=O)(=O)[C@@H](C)c2ccc(Cl)cc2)[n-]1 ZINC000566807209 322139335 /nfs/dbraw/zinc/13/93/35/322139335.db2.gz HWGDUMCKGMDYLS-VIFPVBQESA-N -1 3 298.795 3.160 20 0 CGADHM CCc1c[n-]c(S(=O)(=O)[C@@H](C)c2ccc(Cl)cc2)n1 ZINC000566807209 322139338 /nfs/dbraw/zinc/13/93/38/322139338.db2.gz HWGDUMCKGMDYLS-VIFPVBQESA-N -1 3 298.795 3.160 20 0 CGADHM CCCc1nc(C)c(CN2[C@H](C)[C@H](C(=O)[O-])CC[C@@H]2C)o1 ZINC000567063126 322149048 /nfs/dbraw/zinc/14/90/48/322149048.db2.gz PQKKEGSBCIWEKO-CYZMBNFOSA-N -1 3 294.395 3.009 20 0 CGADHM CC(C)(C)c1nc(CN[C@@H]2CCCC[C@@H]2C(=O)[O-])cs1 ZINC000567385634 322161289 /nfs/dbraw/zinc/16/12/89/322161289.db2.gz JOKYVPMEHFAVEO-NWDGAFQWSA-N -1 3 296.436 3.174 20 0 CGADHM C[C@@H](c1ccc(F)cc1)N(C)Cc1ncccc1[O-] ZINC000567398598 322161842 /nfs/dbraw/zinc/16/18/42/322161842.db2.gz HCJBQNQPUXPZQL-NSHDSACASA-N -1 3 260.312 3.119 20 0 CGADHM C[C@@H]1CCN(Cc2cccc(C(F)F)c2)C[C@@H]1C(=O)[O-] ZINC000567856692 322180328 /nfs/dbraw/zinc/18/03/28/322180328.db2.gz PGOJJUGTZOUAMN-MFKMUULPSA-N -1 3 283.318 3.167 20 0 CGADHM CCN(CCc1ccccc1)Cc1cc(C(=O)[O-])oc1C ZINC000568060752 322190361 /nfs/dbraw/zinc/19/03/61/322190361.db2.gz NNKTUAUUBWWWEP-UHFFFAOYSA-N -1 3 287.359 3.351 20 0 CGADHM Cc1cncc(CN(Cc2ccccc2)C[C@@H](C)C(=O)[O-])c1 ZINC000568067528 322191835 /nfs/dbraw/zinc/19/18/35/322191835.db2.gz XYPOCQXLYXEMAA-OAHLLOKOSA-N -1 3 298.386 3.113 20 0 CGADHM C[C@@H]1COc2ccccc2CN1Cc1ccccc1C(=O)[O-] ZINC000568874510 322225733 /nfs/dbraw/zinc/22/57/33/322225733.db2.gz UMASZQMGCPKWRC-CYBMUJFWSA-N -1 3 297.354 3.168 20 0 CGADHM Cc1cccc(C(=O)Nc2ccc([C@H]3CCOC3)cc2)c1[O-] ZINC000569025301 322232261 /nfs/dbraw/zinc/23/22/61/322232261.db2.gz SUFHGLRRBIPOMT-AWEZNQCLSA-N -1 3 297.354 3.457 20 0 CGADHM O=C([O-])c1cnccc1N1CCC[C@H]1c1ccsc1 ZINC000569224814 322240080 /nfs/dbraw/zinc/24/00/80/322240080.db2.gz FSDCIGOYDSRWTA-LBPRGKRZSA-N -1 3 274.345 3.183 20 0 CGADHM O=C([N-]c1nncs1)c1csc(C2CCCCC2)n1 ZINC000569553194 322250051 /nfs/dbraw/zinc/25/00/51/322250051.db2.gz PZGXKQMANRUZKO-UHFFFAOYSA-N -1 3 294.405 3.295 20 0 CGADHM CC[C@@H](F)CN(CC(=O)[O-])[C@@H](CC)c1ccccc1 ZINC000569826438 322257957 /nfs/dbraw/zinc/25/79/57/322257957.db2.gz WVYBDIIULWVIPM-KGLIPLIRSA-N -1 3 267.344 3.272 20 0 CGADHM C[C@H]1CN(CCCCCC(=O)[O-])[C@@H](c2ccccc2)CO1 ZINC000570099951 322264849 /nfs/dbraw/zinc/26/48/49/322264849.db2.gz DQHRLSKFACXUMD-GOEBONIOSA-N -1 3 291.391 3.093 20 0 CGADHM C[C@@H](CC1CCCCC1)NC(=O)c1cccc2nn[n-]c21 ZINC000570637720 322278687 /nfs/dbraw/zinc/27/86/87/322278687.db2.gz MOTSWLJTGYJJIP-NSHDSACASA-N -1 3 286.379 3.047 20 0 CGADHM C[C@@H](CC1CCCCC1)NC(=O)c1cccc2[n-]nnc21 ZINC000570637720 322278689 /nfs/dbraw/zinc/27/86/89/322278689.db2.gz MOTSWLJTGYJJIP-NSHDSACASA-N -1 3 286.379 3.047 20 0 CGADHM C[C@@H](CC1CCCCC1)NC(=O)c1cccc2n[n-]nc21 ZINC000570637720 322278690 /nfs/dbraw/zinc/27/86/90/322278690.db2.gz MOTSWLJTGYJJIP-NSHDSACASA-N -1 3 286.379 3.047 20 0 CGADHM CCc1onc(C)c1[N-]C(=O)c1ccncc1C(F)(F)F ZINC000571885687 322310751 /nfs/dbraw/zinc/31/07/51/322310751.db2.gz XIGLSPIEELKFEO-UHFFFAOYSA-N -1 3 299.252 3.212 20 0 CGADHM O=c1cc(-c2noc([C@H](F)CC3CCCCC3)n2)nc[n-]1 ZINC000572242701 322327068 /nfs/dbraw/zinc/32/70/68/322327068.db2.gz YRWZDYNJYUGIDG-SNVBAGLBSA-N -1 3 292.314 3.213 20 0 CGADHM O=C([O-])[C@@H]1CCCN(C/C=C/c2ccc(Cl)cc2)C1 ZINC000572850263 322358022 /nfs/dbraw/zinc/35/80/22/322358022.db2.gz KTLPGUUHPGGSMZ-KNVIWWDSSA-N -1 3 279.767 3.150 20 0 CGADHM C[C@@H]1CC[C@@](CNCc2cccc(F)c2F)(CC(=O)[O-])C1 ZINC000573156576 322373175 /nfs/dbraw/zinc/37/31/75/322373175.db2.gz UIRQENZFJHOAKE-BZNIZROVSA-N -1 3 297.345 3.336 20 0 CGADHM CC1(c2nc(-c3ccc4n[n-]nc4c3)no2)CCCCC1 ZINC000573497473 322391290 /nfs/dbraw/zinc/39/12/90/322391290.db2.gz ZKQGVGCSPLBZRL-UHFFFAOYSA-N -1 3 283.335 3.230 20 0 CGADHM C[C@@H](C(=O)N=c1cc2ccccn2[n-]1)c1cccc(Cl)c1 ZINC000574541647 322445916 /nfs/dbraw/zinc/44/59/16/322445916.db2.gz ZVDIXDKCCCQIEB-LLVKDONJSA-N -1 3 299.761 3.152 20 0 CGADHM C[C@H](NC(=O)Cc1cncc([O-])c1)c1cccc(C2CC2)c1 ZINC000584124226 327046106 /nfs/dbraw/zinc/04/61/06/327046106.db2.gz YCWWHMHSONZMFG-LBPRGKRZSA-N -1 3 296.370 3.085 20 0 CGADHM CO[C@@H](CN(C)Cc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000393441171 329092213 /nfs/dbraw/zinc/09/22/13/329092213.db2.gz VCWMPKQXHXSPKN-KRWDZBQOSA-N -1 3 299.370 3.204 20 0 CGADHM CCCCN(CCCC)Cc1nc(C(=O)[O-])cs1 ZINC000394097196 329099485 /nfs/dbraw/zinc/09/94/85/329099485.db2.gz XRDQVCDDELUTAG-UHFFFAOYSA-N -1 3 270.398 3.244 20 0 CGADHM Cc1ccc2c(c1)CN(C(=O)c1cc(C)ccc1[O-])CCO2 ZINC000582743200 329134783 /nfs/dbraw/zinc/13/47/83/329134783.db2.gz WNYDBZLWVAEMPE-UHFFFAOYSA-N -1 3 297.354 3.044 20 0 CGADHM O=C([O-])c1sccc1CN1CCS[C@@H]2CCCC[C@H]21 ZINC000580456555 330140947 /nfs/dbraw/zinc/14/09/47/330140947.db2.gz HQVGRPOVHRLXMK-VXGBXAGGSA-N -1 3 297.445 3.306 20 0 CGADHM O=C(CCC(=O)c1ccccc1)Nc1cc(F)ccc1[O-] ZINC000174872241 335167937 /nfs/dbraw/zinc/16/79/37/335167937.db2.gz VBWZOFCZZNTGNJ-UHFFFAOYSA-N -1 3 287.290 3.133 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])c1cccc(Cl)c1 ZINC000174872000 335168115 /nfs/dbraw/zinc/16/81/15/335168115.db2.gz PZAPKLOSOKTYIW-UHFFFAOYSA-N -1 3 265.671 3.437 20 0 CGADHM O=C(Cc1cccc(Cl)c1)Nc1cc(F)ccc1[O-] ZINC000174882553 335168454 /nfs/dbraw/zinc/16/84/54/335168454.db2.gz ZPHKZHCSQMUZKY-UHFFFAOYSA-N -1 3 279.698 3.366 20 0 CGADHM Cc1ccc2c(c1)N(C(=O)c1cccc(C)c1[O-])C[C@@H](C)O2 ZINC000175051364 335171815 /nfs/dbraw/zinc/17/18/15/335171815.db2.gz PGQPFYBGNKBIFQ-CYBMUJFWSA-N -1 3 297.354 3.437 20 0 CGADHM CCO[C@H]1C[C@@H](N(C)Cc2ccc(C(=O)[O-])s2)C1(C)C ZINC000576285494 335183224 /nfs/dbraw/zinc/18/32/24/335183224.db2.gz KBWROXMWFXBSOE-OLZOCXBDSA-N -1 3 297.420 3.082 20 0 CGADHM O=C(Nc1ccccc1[O-])C1(Cc2ccccc2)CC1 ZINC000176266322 335255442 /nfs/dbraw/zinc/25/54/42/335255442.db2.gz ZRNAVENFTQYLBR-UHFFFAOYSA-N -1 3 267.328 3.354 20 0 CGADHM Cc1ccc([C@@H]2CCN(C(=O)c3cc([O-])ccc3F)C2)cc1 ZINC000576911431 335263081 /nfs/dbraw/zinc/26/30/81/335263081.db2.gz LHBMEVWRJKRFSP-CQSZACIVSA-N -1 3 299.345 3.469 20 0 CGADHM Cc1ccc([O-])c(C(=O)N(C)[C@@H]2CCc3ccccc32)c1 ZINC000192627009 335283743 /nfs/dbraw/zinc/28/37/43/335283743.db2.gz ZSBULZUEBNTRFO-MRXNPFEDSA-N -1 3 281.355 3.460 20 0 CGADHM CC[C@@]1(C)CCCN([C@@H](C)c2nc(C)cc(=O)[n-]2)C1 ZINC000192605757 335286294 /nfs/dbraw/zinc/28/62/94/335286294.db2.gz RGZMKWPYLWIZTK-WFASDCNBSA-N -1 3 263.385 3.064 20 0 CGADHM Cc1cc(N2CC[C@@H](C)[C@H](C(=O)[O-])C2)c2ccccc2n1 ZINC000577062963 335293826 /nfs/dbraw/zinc/29/38/26/335293826.db2.gz UTCYOOLCPPIJLE-BXUZGUMPSA-N -1 3 284.359 3.090 20 0 CGADHM C[C@H](OCCCNC(=O)c1cccc([O-])c1)c1ccccc1 ZINC000192921485 335323223 /nfs/dbraw/zinc/32/32/23/335323223.db2.gz MBBUZQQPUNPBFL-AWEZNQCLSA-N -1 3 299.370 3.290 20 0 CGADHM O=C([O-])[C@H]1C[C@H](NCc2ccc(-c3ccccc3)cc2F)C1 ZINC000577389031 335346911 /nfs/dbraw/zinc/34/69/11/335346911.db2.gz PXQBRFLVRKNZGA-WKILWMFISA-N -1 3 299.345 3.446 20 0 CGADHM CCC[C@@H](CC)S(=O)(=O)[N-]c1cccc2c1ccn2C ZINC000577758032 335397907 /nfs/dbraw/zinc/39/79/07/335397907.db2.gz ONYNFELFQHTJOT-GFCCVEGCSA-N -1 3 294.420 3.499 20 0 CGADHM O=C(Nc1c([O-])cccc1Cl)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000579130469 335714253 /nfs/dbraw/zinc/71/42/53/335714253.db2.gz XOQGZEFYBKQUGG-AEJSXWLSSA-N -1 3 265.740 3.420 20 0 CGADHM CC[C@@H]1CCCC[C@H]1OCC(=O)Nc1cccc([O-])c1F ZINC000184891048 335939387 /nfs/dbraw/zinc/93/93/87/335939387.db2.gz WYWUBOLBYCZGHJ-BXUZGUMPSA-N -1 3 295.354 3.455 20 0 CGADHM CC(C)(NC(=O)c1cc([O-])c2ccccc2c1)C1CC1 ZINC000581106488 336008842 /nfs/dbraw/zinc/00/88/42/336008842.db2.gz QDDOGERGTUFHHH-UHFFFAOYSA-N -1 3 269.344 3.464 20 0 CGADHM CC(=O)c1cc(C(=O)Nc2cc(F)ccc2[O-])ccc1C ZINC000194417114 336020511 /nfs/dbraw/zinc/02/05/11/336020511.db2.gz IBWVQYYFDUAIFB-UHFFFAOYSA-N -1 3 287.290 3.295 20 0 CGADHM CC(C)C[C@@H](C(=O)[O-])N(C)Cc1cc2ccccc2o1 ZINC000581374795 336064216 /nfs/dbraw/zinc/06/42/16/336064216.db2.gz BTUVBGURPSWKSV-AWEZNQCLSA-N -1 3 275.348 3.364 20 0 CGADHM Cc1cc(C)nc(-c2noc(-c3cccc(C)c3[O-])n2)c1 ZINC000385911270 336161365 /nfs/dbraw/zinc/16/13/65/336161365.db2.gz GYSPDNQBWTWLHW-UHFFFAOYSA-N -1 3 281.315 3.429 20 0 CGADHM Cc1ccc2nccc(N3CCC[C@@](C)(C(=O)[O-])C3)c2c1 ZINC000581946162 336174578 /nfs/dbraw/zinc/17/45/78/336174578.db2.gz BLHOTUJRGWVQNY-QGZVFWFLSA-N -1 3 284.359 3.234 20 0 CGADHM C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)c1ccc(O)cc1[O-] ZINC000436844841 533775175 /nfs/dbraw/zinc/77/51/75/533775175.db2.gz HKBKNUUJRSWFMA-VXGBXAGGSA-N -1 3 291.391 3.385 20 0 CGADHM C[C@@H]1CCC[C@H](CNC(=O)Cc2ccc([O-])c(F)c2)C1 ZINC000448785617 533844088 /nfs/dbraw/zinc/84/40/88/533844088.db2.gz ZLPMMQMSEXZEOB-YPMHNXCESA-N -1 3 279.355 3.016 20 0 CGADHM Cc1c(NC(=O)c2ccc(C)cc2[O-])cnn1CC(C)C ZINC000436963545 533918255 /nfs/dbraw/zinc/91/82/55/533918255.db2.gz OITCIOFGOOUPMJ-UHFFFAOYSA-N -1 3 287.363 3.114 20 0 CGADHM COc1cc(F)c(F)cc1NC(=O)c1cc(C)ccc1[O-] ZINC000436699874 533972524 /nfs/dbraw/zinc/97/25/24/533972524.db2.gz WMGNVEWPOUTDPC-UHFFFAOYSA-N -1 3 293.269 3.240 20 0 CGADHM Cc1ccc(CN[C@@H](C(=O)[O-])c2ccsc2)cc1F ZINC000426782571 534077847 /nfs/dbraw/zinc/07/78/47/534077847.db2.gz GWNRBCGCJFKUKC-CYBMUJFWSA-N -1 3 279.336 3.111 20 0 CGADHM Cc1cc2cc(CNC(=O)c3ccc([O-])c(C)c3)ccc2[nH]1 ZINC000436712112 534089647 /nfs/dbraw/zinc/08/96/47/534089647.db2.gz MLHBEOVFGINIBJ-UHFFFAOYSA-N -1 3 294.354 3.420 20 0 CGADHM Cc1ccc([O-])c(CN[C@H](C)c2ccc(F)c(C)c2)n1 ZINC000449373684 534199122 /nfs/dbraw/zinc/19/91/22/534199122.db2.gz UDYCOFWXYRQMFO-GFCCVEGCSA-N -1 3 274.339 3.394 20 0 CGADHM COC(=O)c1cccc(NCc2c(F)ccc([O-])c2F)c1 ZINC000438856005 534278133 /nfs/dbraw/zinc/27/81/33/534278133.db2.gz KIGZFNHASQMSQI-UHFFFAOYSA-N -1 3 293.269 3.069 20 0 CGADHM COC(=O)c1cnc(SCc2ccc(C)cc2C)[n-]1 ZINC000413006839 534307361 /nfs/dbraw/zinc/30/73/61/534307361.db2.gz QHWQGEDWNNRISD-UHFFFAOYSA-N -1 3 276.361 3.105 20 0 CGADHM Cc1ccc2c(CSc3ncccn3)ccc([O-])c2n1 ZINC000427256336 534393807 /nfs/dbraw/zinc/39/38/07/534393807.db2.gz JNHGQEOADFUXRV-UHFFFAOYSA-N -1 3 283.356 3.331 20 0 CGADHM Cc1ccc2c(c1)CCN(C(=O)c1cccc(C)c1[O-])C2 ZINC000436996593 534410756 /nfs/dbraw/zinc/41/07/56/534410756.db2.gz UHPCDXJRKLFHBT-UHFFFAOYSA-N -1 3 281.355 3.208 20 0 CGADHM O=C([O-])CC1(CNCc2cccc(Cl)c2F)CCC1 ZINC000426631833 534487573 /nfs/dbraw/zinc/48/75/73/534487573.db2.gz QCTNNCUKBHKTEE-UHFFFAOYSA-N -1 3 285.746 3.214 20 0 CGADHM O=C([O-])[C@@H](NCc1cccc2cc[nH]c21)c1ccc(F)cc1 ZINC000426811279 534516062 /nfs/dbraw/zinc/51/60/62/534516062.db2.gz SQRNAOHXHVWWRZ-INIZCTEOSA-N -1 3 298.317 3.223 20 0 CGADHM Cc1oc(-c2ccco2)nc1CC(=O)Nc1ccccc1[O-] ZINC000355954772 534531182 /nfs/dbraw/zinc/53/11/82/534531182.db2.gz LQVRAKZLWBEPFH-UHFFFAOYSA-N -1 3 298.298 3.130 20 0 CGADHM Cc1cccc(C(=O)N(C)c2ccc3cc[nH]c3c2)c1[O-] ZINC000437001464 534584241 /nfs/dbraw/zinc/58/42/41/534584241.db2.gz PJAMXBHYWIZKIS-UHFFFAOYSA-N -1 3 280.327 3.459 20 0 CGADHM Cc1cnc(OC(C)C)c(NCc2nc(C)ccc2[O-])c1 ZINC000449357093 534597905 /nfs/dbraw/zinc/59/79/05/534597905.db2.gz JZLBQIJJKSQQOV-UHFFFAOYSA-N -1 3 287.363 3.198 20 0 CGADHM Cc1cccc(C(=O)NC[C@@H]2C[C@H]2c2ccccc2)c1[O-] ZINC000436636571 534607113 /nfs/dbraw/zinc/60/71/13/534607113.db2.gz ZDEGDXKWWKAWDY-HOCLYGCPSA-N -1 3 281.355 3.234 20 0 CGADHM Cc1cccc(C(=O)NC[C@H](C)Oc2ccccc2C)c1[O-] ZINC000436566980 534607688 /nfs/dbraw/zinc/60/76/88/534607688.db2.gz RGEOIFTZZBEGRO-AWEZNQCLSA-N -1 3 299.370 3.206 20 0 CGADHM CC[C@@H](C)N(CC)Cc1ccc(C(=O)[O-])cc1F ZINC000062751442 522084170 /nfs/dbraw/zinc/08/41/70/522084170.db2.gz DRLPZCCLTPIMEJ-SNVBAGLBSA-N -1 3 253.317 3.144 20 0 CGADHM O=C(NC[C@H]1CC[C@@H](c2ccccc2)O1)c1cccc([O-])c1 ZINC000366493894 534651371 /nfs/dbraw/zinc/65/13/71/534651371.db2.gz ZIKQOOLVLGKBAB-SJORKVTESA-N -1 3 297.354 3.042 20 0 CGADHM COCCCC(=O)Nc1cc(Cc2ccccc2)ccc1[O-] ZINC000081459806 523085285 /nfs/dbraw/zinc/08/52/85/523085285.db2.gz NUIIAFUJSBFACK-UHFFFAOYSA-N -1 3 299.370 3.348 20 0 CGADHM O=C(c1ccc([O-])cc1)C1CCN(CCCCCF)CC1 ZINC000367461878 534715951 /nfs/dbraw/zinc/71/59/51/534715951.db2.gz BXHYPRZIMAIGCB-UHFFFAOYSA-N -1 3 293.382 3.427 20 0 CGADHM N[C@H](CC1CCCCC1)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000423710818 534719944 /nfs/dbraw/zinc/71/99/44/534719944.db2.gz LKTSUBKCAMXREO-GFCCVEGCSA-N -1 3 296.798 3.282 20 0 CGADHM O=C(c1ccccc1[O-])N1CCc2cc(Cl)ccc2C1 ZINC000191532168 534748885 /nfs/dbraw/zinc/74/88/85/534748885.db2.gz ZBUBMKUXLDERMA-UHFFFAOYSA-N -1 3 287.746 3.244 20 0 CGADHM O=C(c1ccccc1[O-])N1CCC[C@H](Oc2ccccc2)C1 ZINC000369297663 534749489 /nfs/dbraw/zinc/74/94/89/534749489.db2.gz JWXNDWHCVWKZAX-HNNXBMFYSA-N -1 3 297.354 3.076 20 0 CGADHM Cc1cccc(C(=O)N(C)[C@H]2CCCC[C@@H]2C)c1[O-] ZINC000055482090 524165487 /nfs/dbraw/zinc/16/54/87/524165487.db2.gz DSNKEARZTYUDJW-FZMZJTMJSA-N -1 3 261.365 3.351 20 0 CGADHM Cc1cccc(C(=O)N2CC[C@@H]3CCCC[C@@H]32)c1[O-] ZINC000111250325 524184176 /nfs/dbraw/zinc/18/41/76/524184176.db2.gz QDPFZWLQDVSFSA-JSGCOSHPSA-N -1 3 259.349 3.105 20 0 CGADHM C[C@@H](Cc1ccncc1)NCc1cccc([O-])c1Cl ZINC000339294575 524935232 /nfs/dbraw/zinc/93/52/32/524935232.db2.gz YAJABYLXPWGBDN-NSHDSACASA-N -1 3 276.767 3.161 20 0 CGADHM Cc1ccsc1CN(C)C(=O)c1cc(C)ccc1[O-] ZINC000057290547 525837327 /nfs/dbraw/zinc/83/73/27/525837327.db2.gz MBDQIMDJEXWJRW-UHFFFAOYSA-N -1 3 275.373 3.343 20 0 CGADHM CC(C)C1(NC(=O)CCCc2ccc([O-])c(F)c2)CC1 ZINC000357173178 527616653 /nfs/dbraw/zinc/61/66/53/527616653.db2.gz GODCDLLZSHYKIW-UHFFFAOYSA-N -1 3 279.355 3.159 20 0 CGADHM CC(C)CCC[C@@H](C)NC(=O)Cc1ccc([O-])c(F)c1 ZINC000448648644 527705421 /nfs/dbraw/zinc/70/54/21/527705421.db2.gz RGJKNKLCIZVCGI-GFCCVEGCSA-N -1 3 281.371 3.405 20 0 CGADHM CC1(C)Cc2cc(NC(=O)c3cccc([O-])c3)ccc2O1 ZINC000357400406 527775372 /nfs/dbraw/zinc/77/53/72/527775372.db2.gz AQXQMGQPFAYCQE-UHFFFAOYSA-N -1 3 283.327 3.358 20 0 CGADHM CC(C)c1ccc(C(=O)N[C@@H](C)C(F)(F)F)c([O-])c1 ZINC000436750432 528074644 /nfs/dbraw/zinc/07/46/44/528074644.db2.gz WVWPPVLKKTVGEN-QMMMGPOBSA-N -1 3 275.270 3.196 20 0 CGADHM CC(C)c1ccc(C(=O)N[C@@H]2CC[C@H](F)C2)c([O-])c1 ZINC000436745124 528076958 /nfs/dbraw/zinc/07/69/58/528076958.db2.gz SGZKXTJGJNCQTC-NWDGAFQWSA-N -1 3 265.328 3.136 20 0 CGADHM CC1=CCCN(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000437988087 528097222 /nfs/dbraw/zinc/09/72/22/528097222.db2.gz QPAZVHYFESOPIP-UHFFFAOYSA-N -1 3 277.339 3.033 20 0 CGADHM CCOc1cc(-c2noc([C@@H]3CC3(C)C)n2)ccc1[O-] ZINC000445431319 528189539 /nfs/dbraw/zinc/18/95/39/528189539.db2.gz NLZJCWUBXPUWMZ-JTQLQIEISA-N -1 3 274.320 3.354 20 0 CGADHM CCN(CC1CC1)C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436787537 528329419 /nfs/dbraw/zinc/32/94/19/528329419.db2.gz WUZXZPOOAJQBGX-UHFFFAOYSA-N -1 3 273.376 3.143 20 0 CGADHM CC(C)c1ncc(Cl)c(C(=O)[N-]c2ccncc2F)n1 ZINC000132422802 528356227 /nfs/dbraw/zinc/35/62/27/528356227.db2.gz MQEMZWYSYMMFDT-UHFFFAOYSA-N -1 3 294.717 3.040 20 0 CGADHM CC(C)[C@@H](C(=O)[O-])[C@@H](C)NCc1cccc(Cl)c1F ZINC000424615699 528377401 /nfs/dbraw/zinc/37/74/01/528377401.db2.gz FAXIPZIKILAQDM-BXKDBHETSA-N -1 3 287.762 3.314 20 0 CGADHM CCCNc1ccc(CNC(=O)c2cccc(C)c2[O-])cc1 ZINC000436909376 528570405 /nfs/dbraw/zinc/57/04/05/528570405.db2.gz YSJBXPLODRVMPD-UHFFFAOYSA-N -1 3 298.386 3.453 20 0 CGADHM CCCCOCCCNC(=O)c1ccc(C(C)C)cc1[O-] ZINC000436633581 528586291 /nfs/dbraw/zinc/58/62/91/528586291.db2.gz IIFZNZSCYLBZDV-UHFFFAOYSA-N -1 3 293.407 3.452 20 0 CGADHM CC(F)(F)C(=O)[N-][C@H](c1ccco1)c1ccccc1 ZINC000367291906 528711735 /nfs/dbraw/zinc/71/17/35/528711735.db2.gz WPXOBCILIRQTQL-LBPRGKRZSA-N -1 3 265.259 3.140 20 0 CGADHM CCC1(CC)CCN(C(=O)c2ccc(C(C)=O)c([O-])c2)C1 ZINC000412163822 529055028 /nfs/dbraw/zinc/05/50/28/529055028.db2.gz DHWOQGMQAQWQOT-UHFFFAOYSA-N -1 3 289.375 3.247 20 0 CGADHM CCO[N-]C(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000173023356 529086224 /nfs/dbraw/zinc/08/62/24/529086224.db2.gz BLTQNDMNEZWMDD-WDEREUQCSA-N -1 3 274.147 3.165 20 0 CGADHM CC(C)(C)c1ccc(NC(=O)/C=C\c2cnccn2)c([O-])c1 ZINC000492805163 535117203 /nfs/dbraw/zinc/11/72/03/535117203.db2.gz ISPOFDUUMBBQDB-ALCCZGGFSA-N -1 3 297.358 3.132 20 0 CGADHM CCS[C@H]1CC[C@H](N(C)Cc2cc(C(=O)[O-])co2)C1 ZINC000516932129 535729749 /nfs/dbraw/zinc/72/97/49/535729749.db2.gz CJCPLLSRVBLHQZ-AAEUAGOBSA-N -1 3 283.393 3.084 20 0 CGADHM CC[C@@]1(C)CCCN(Cc2cc(=O)[n-]c(C3CC3)n2)C1 ZINC000459355453 536037920 /nfs/dbraw/zinc/03/79/20/536037920.db2.gz NCNSPOWVLMGCNU-INIZCTEOSA-N -1 3 275.396 3.072 20 0 CGADHM CCc1cc(C(=O)N2CCC[C@H](C3CC3)C2)ccc1[O-] ZINC000494748072 536107842 /nfs/dbraw/zinc/10/78/42/536107842.db2.gz JRLGFTLBRTXDCH-HNNXBMFYSA-N -1 3 273.376 3.217 20 0 CGADHM CCc1cc(C(=O)N2CCc3ccc(F)cc32)ccc1[O-] ZINC000486009999 536115489 /nfs/dbraw/zinc/11/54/89/536115489.db2.gz YGKFTTMVZLLZOZ-UHFFFAOYSA-N -1 3 285.318 3.297 20 0 CGADHM CCc1cc(C(=O)Nc2cc(OC)ccc2F)ccc1[O-] ZINC000486736172 536132884 /nfs/dbraw/zinc/13/28/84/536132884.db2.gz XBKYCTLFTDKKNF-UHFFFAOYSA-N -1 3 289.306 3.355 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CCc3cc(C)ccc3C2)c1 ZINC000481011422 536190669 /nfs/dbraw/zinc/19/06/69/536190669.db2.gz SBUGFNPIKTYXJR-UHFFFAOYSA-N -1 3 295.382 3.462 20 0 CGADHM CC/C=C/COC(=O)c1cc(-c2ccc(C)o2)n[n-]1 ZINC000727044350 571706898 /nfs/dbraw/zinc/70/68/98/571706898.db2.gz SOHJGLVVJCVGRG-SNAWJCMRSA-N -1 3 260.293 3.101 20 0 CGADHM CC/C=C/COC(=O)c1cc(-c2ccc(C)o2)[n-]n1 ZINC000727044350 571706903 /nfs/dbraw/zinc/70/69/03/571706903.db2.gz SOHJGLVVJCVGRG-SNAWJCMRSA-N -1 3 260.293 3.101 20 0 CGADHM Fc1cccc(NC/C=C\c2ccccc2)c1-c1nnn[n-]1 ZINC000737665488 571677038 /nfs/dbraw/zinc/67/70/38/571677038.db2.gz QOQBKPMBSJMYQJ-YVMONPNESA-N -1 3 295.321 3.131 20 0 CGADHM Fc1cccc(NC/C=C\c2ccccc2)c1-c1nn[n-]n1 ZINC000737665488 571677040 /nfs/dbraw/zinc/67/70/40/571677040.db2.gz QOQBKPMBSJMYQJ-YVMONPNESA-N -1 3 295.321 3.131 20 0 CGADHM CCN(Cc1cccs1)Cc1ccccc1C(=O)[O-] ZINC000048970672 571907182 /nfs/dbraw/zinc/90/71/82/571907182.db2.gz KVUBCUUYDNRUNE-UHFFFAOYSA-N -1 3 275.373 3.468 20 0 CGADHM Cc1cccc([C@H](C)Nc2ccc(-c3nnn[n-]3)cn2)c1C ZINC000737391197 572339738 /nfs/dbraw/zinc/33/97/38/572339738.db2.gz XLIPLCPSDBHZQY-LBPRGKRZSA-N -1 3 294.362 3.052 20 0 CGADHM Cc1cccc([C@H](C)Nc2ccc(-c3nn[n-]n3)cn2)c1C ZINC000737391197 572339740 /nfs/dbraw/zinc/33/97/40/572339740.db2.gz XLIPLCPSDBHZQY-LBPRGKRZSA-N -1 3 294.362 3.052 20 0 CGADHM CN(CCc1ccc(Cl)cc1)Cc1ccoc1C(=O)[O-] ZINC000737447280 572343526 /nfs/dbraw/zinc/34/35/26/572343526.db2.gz UBCJASQZVILSIG-UHFFFAOYSA-N -1 3 293.750 3.306 20 0 CGADHM Cc1cccc2c1CCN(Cc1ccc(C(=O)[O-])cc1)C2 ZINC000738747969 572391055 /nfs/dbraw/zinc/39/10/55/572391055.db2.gz MVRIEBOZBPMIQF-UHFFFAOYSA-N -1 3 281.355 3.252 20 0 CGADHM C[C@H](c1ccc(Cl)cc1)N1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000739054943 572401258 /nfs/dbraw/zinc/40/12/58/572401258.db2.gz VEMDRLRREPSERZ-NEPJUHHUSA-N -1 3 296.798 3.333 20 0 CGADHM CN(C[C@@H]1CCCN(c2ccnc3ccccc32)C1)C(=O)[O-] ZINC000739642424 572420938 /nfs/dbraw/zinc/42/09/38/572420938.db2.gz ACGMRPOEQWRJFZ-ZDUSSCGKSA-N -1 3 299.374 3.061 20 0 CGADHM Cc1ccc(C)c(CO[N-]C(=O)CCOc2ccccc2)c1 ZINC000731841966 572429508 /nfs/dbraw/zinc/42/95/08/572429508.db2.gz PHKXLCYZLYBSOS-UHFFFAOYSA-N -1 3 299.370 3.320 20 0 CGADHM CCc1nnc([C@@H](C)OC(=O)c2cc3ccsc3[n-]2)o1 ZINC000732318816 572459169 /nfs/dbraw/zinc/45/91/69/572459169.db2.gz YURDITDTSVDUKG-SSDOTTSWSA-N -1 3 291.332 3.093 20 0 CGADHM Cc1noc(C)c1[N-]C(=O)c1c(Cl)n(C)nc1C(C)C ZINC000741547189 572510055 /nfs/dbraw/zinc/51/00/55/572510055.db2.gz CXYWPNFQQMYEPW-UHFFFAOYSA-N -1 3 296.758 3.054 20 0 CGADHM CC(C)C[C@H](CNC(=O)[O-])NCc1ccc(Cl)s1 ZINC000738806136 572731501 /nfs/dbraw/zinc/73/15/01/572731501.db2.gz CJJBEAVTPXQYPR-SECBINFHSA-N -1 3 290.816 3.173 20 0 CGADHM O=C(OCc1ccccc1)c1c[n-]c(-c2ccccc2)n1 ZINC000735957421 572752902 /nfs/dbraw/zinc/75/29/02/572752902.db2.gz AMUHUMNCXPMTET-UHFFFAOYSA-N -1 3 278.311 3.434 20 0 CGADHM C[C@@H](OC(=O)c1ccc(Cl)cc1[O-])c1ccncc1 ZINC000735962856 572753937 /nfs/dbraw/zinc/75/39/37/572753937.db2.gz SAIILMWLUVDSJJ-SECBINFHSA-N -1 3 277.707 3.359 20 0 CGADHM CCCCCCNc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000736446526 572792406 /nfs/dbraw/zinc/79/24/06/572792406.db2.gz IWAOUZCAQPLTBD-UHFFFAOYSA-N -1 3 296.378 3.407 20 0 CGADHM CCCCCCNc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000736446526 572792410 /nfs/dbraw/zinc/79/24/10/572792410.db2.gz IWAOUZCAQPLTBD-UHFFFAOYSA-N -1 3 296.378 3.407 20 0 CGADHM C[C@H](N[C@H]1CCCN(C(=O)[O-])C1)c1cccc(Cl)c1 ZINC000736661030 572803023 /nfs/dbraw/zinc/80/30/23/572803023.db2.gz CNBWOYMWPXWOQP-GWCFXTLKSA-N -1 3 282.771 3.133 20 0 CGADHM CCc1ccc(OCc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000736688327 572805580 /nfs/dbraw/zinc/80/55/80/572805580.db2.gz CVMSSSOVVIFAEK-UHFFFAOYSA-N -1 3 298.321 3.147 20 0 CGADHM CCc1ccc(OCc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000736688327 572805584 /nfs/dbraw/zinc/80/55/84/572805584.db2.gz CVMSSSOVVIFAEK-UHFFFAOYSA-N -1 3 298.321 3.147 20 0 CGADHM CN(Cc1ccoc1)C(=O)c1cc([O-])c2ccccc2c1 ZINC000352912083 572814848 /nfs/dbraw/zinc/81/48/48/572814848.db2.gz IWWVITKOWYLICA-UHFFFAOYSA-N -1 3 281.311 3.411 20 0 CGADHM COCc1cccc(CSCc2nc(C)cc(=O)[n-]2)c1 ZINC000746599487 572884119 /nfs/dbraw/zinc/88/41/19/572884119.db2.gz ZMYVBKQYGAIYTK-UHFFFAOYSA-N -1 3 290.388 3.070 20 0 CGADHM O=C(OCC[C@@H]1CCCC1=O)c1cc2ccsc2[n-]1 ZINC000748160677 572964417 /nfs/dbraw/zinc/96/44/17/572964417.db2.gz KZUYYPPOLSMENU-VIFPVBQESA-N -1 3 277.345 3.146 20 0 CGADHM O=C([N-]Cc1cc2ccccc2s1)C(F)(F)C(F)F ZINC000749356717 572993325 /nfs/dbraw/zinc/99/33/25/572993325.db2.gz IMICEWLETTXRGQ-UHFFFAOYSA-N -1 3 291.269 3.418 20 0 CGADHM CC(C)[C@H](C)SCc1ccccc1-c1nnn[n-]1 ZINC000820021872 599129930 /nfs/dbraw/zinc/12/99/30/599129930.db2.gz ZWSQRRMLQOVFFP-JTQLQIEISA-N -1 3 262.382 3.144 20 0 CGADHM CC(C)[C@H](C)SCc1ccccc1-c1nn[n-]n1 ZINC000820021872 599129933 /nfs/dbraw/zinc/12/99/33/599129933.db2.gz ZWSQRRMLQOVFFP-JTQLQIEISA-N -1 3 262.382 3.144 20 0 CGADHM O=C([O-])c1cccc(CN[C@H]2CCc3cc(F)ccc32)c1 ZINC000821551705 598192265 /nfs/dbraw/zinc/19/22/65/598192265.db2.gz VLHAGVOJDRRPJR-INIZCTEOSA-N -1 3 285.318 3.301 20 0 CGADHM CC[C@@H](CSC)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825128246 608416460 /nfs/dbraw/zinc/41/64/60/608416460.db2.gz SDYVHKGSZXTULB-QMMMGPOBSA-N -1 3 297.815 3.074 20 0 CGADHM CC[C@@H](CSC)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825128246 608416462 /nfs/dbraw/zinc/41/64/62/608416462.db2.gz SDYVHKGSZXTULB-QMMMGPOBSA-N -1 3 297.815 3.074 20 0 CGADHM Clc1ccc(NCCCC2CC2)c(-c2nnn[n-]2)c1 ZINC000737576156 599443440 /nfs/dbraw/zinc/44/34/40/599443440.db2.gz WNFXOHGIBPBWKO-UHFFFAOYSA-N -1 3 277.759 3.122 20 0 CGADHM Clc1ccc(NCCCC2CC2)c(-c2nn[n-]n2)c1 ZINC000737576156 599443442 /nfs/dbraw/zinc/44/34/42/599443442.db2.gz WNFXOHGIBPBWKO-UHFFFAOYSA-N -1 3 277.759 3.122 20 0 CGADHM Cc1ccc(CNc2ccc(F)cc2-c2nnn[n-]2)c(C)c1 ZINC000822238343 599482949 /nfs/dbraw/zinc/48/29/49/599482949.db2.gz CYLFWCJCWVAEIO-UHFFFAOYSA-N -1 3 297.337 3.235 20 0 CGADHM Cc1ccc(CNc2ccc(F)cc2-c2nn[n-]n2)c(C)c1 ZINC000822238343 599482951 /nfs/dbraw/zinc/48/29/51/599482951.db2.gz CYLFWCJCWVAEIO-UHFFFAOYSA-N -1 3 297.337 3.235 20 0 CGADHM CCc1ccccc1CNc1ccc(F)cc1-c1nnn[n-]1 ZINC000821496476 599568988 /nfs/dbraw/zinc/56/89/88/599568988.db2.gz GUDFQFTVRYLAAK-UHFFFAOYSA-N -1 3 297.337 3.180 20 0 CGADHM CCc1ccccc1CNc1ccc(F)cc1-c1nn[n-]n1 ZINC000821496476 599568991 /nfs/dbraw/zinc/56/89/91/599568991.db2.gz GUDFQFTVRYLAAK-UHFFFAOYSA-N -1 3 297.337 3.180 20 0 CGADHM C[C@H](c1cccc(O)c1)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000086725353 600146552 /nfs/dbraw/zinc/14/65/52/600146552.db2.gz PFYRDTVADSGSRS-GFCCVEGCSA-N -1 3 285.343 3.283 20 0 CGADHM CSCCN[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000832766727 600732157 /nfs/dbraw/zinc/73/21/57/600732157.db2.gz JOEXSFNDANHCLR-SNVBAGLBSA-N -1 3 294.203 3.072 20 0 CGADHM CSCCN[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000832766726 600732356 /nfs/dbraw/zinc/73/23/56/600732356.db2.gz JOEXSFNDANHCLR-JTQLQIEISA-N -1 3 294.203 3.072 20 0 CGADHM C[C@](NCc1csc(C2CCCC2)n1)(C(=O)[O-])C1CC1 ZINC000827741844 601040014 /nfs/dbraw/zinc/04/00/14/601040014.db2.gz UVAREXYPQIWXEH-OAHLLOKOSA-N -1 3 294.420 3.144 20 0 CGADHM C/C(=C\CN(C)Cc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000825729986 601153614 /nfs/dbraw/zinc/15/36/14/601153614.db2.gz PFDRBNVFRRIUEH-WEVVVXLNSA-N -1 3 288.174 3.456 20 0 CGADHM Cc1[n-]n(Cc2cnc3ccccc3c2)c(=O)c1C(C)C ZINC000899353622 620650148 /nfs/dbraw/zinc/65/01/48/620650148.db2.gz UEQZDIXLDRFSFE-INIZCTEOSA-N -1 3 281.359 3.225 20 0 CGADHM CC[C@](C)(CC(=O)[O-])NCc1ncc(-c2ccccc2)o1 ZINC000828672290 601554963 /nfs/dbraw/zinc/55/49/63/601554963.db2.gz PQKYRETYXUJQDZ-MRXNPFEDSA-N -1 3 288.347 3.075 20 0 CGADHM O=C([O-])CN[C@@H](c1cccc(F)c1)c1cccc(Cl)c1 ZINC000833252986 602106766 /nfs/dbraw/zinc/10/67/66/602106766.db2.gz CLSRJMPUSDYZPQ-OAHLLOKOSA-N -1 3 293.725 3.243 20 0 CGADHM Cc1[n-]n(-c2ccc(OC(F)F)cc2)c(=O)c1C(C)C ZINC000899350040 620654032 /nfs/dbraw/zinc/65/40/32/620654032.db2.gz RXDMDTKGKLFBCQ-GFCCVEGCSA-N -1 3 282.290 3.283 20 0 CGADHM Cc1sc(C(=O)[O-])cc1CN1CCC(C(F)F)CC1 ZINC000307869239 604393125 /nfs/dbraw/zinc/39/31/25/604393125.db2.gz JPWYHLPAVAVECM-UHFFFAOYSA-N -1 3 289.347 3.232 20 0 CGADHM C[C@H](c1cccc(O)c1)N(C)Cc1ccccc1C(=O)[O-] ZINC000833547666 604639747 /nfs/dbraw/zinc/63/97/47/604639747.db2.gz FDWWVJRAFNLFLL-GFCCVEGCSA-N -1 3 285.343 3.283 20 0 CGADHM C[C@@H]1C[C@H]1c1ccc(CN2CCC3(C[C@H]3C(=O)[O-])CC2)o1 ZINC000405402405 604649449 /nfs/dbraw/zinc/64/94/49/604649449.db2.gz SBPANRNXQAIYCF-BNOWGMLFSA-N -1 3 289.375 3.090 20 0 CGADHM CC(C)(C)C1=CCN(Cc2ccoc2C(=O)[O-])CC1 ZINC000382469588 604771350 /nfs/dbraw/zinc/77/13/50/604771350.db2.gz ABUVXFWPGDUVKH-UHFFFAOYSA-N -1 3 263.337 3.156 20 0 CGADHM CCCc1cc(=O)[n-]c(C(=Cc2cn(CC)cn2)CC)n1 ZINC000899370885 620678495 /nfs/dbraw/zinc/67/84/95/620678495.db2.gz BWCSJHBUUDERQS-XYOKQWHBSA-N -1 3 286.379 3.302 20 0 CGADHM Cc1cc(F)ncc1C=Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000899372098 620678820 /nfs/dbraw/zinc/67/88/20/620678820.db2.gz BYLYXYAXVXSFOK-PLNGDYQASA-N -1 3 271.295 3.073 20 0 CGADHM O=C([O-])c1cccc(CNC2(c3cccc(F)c3)CC2)c1 ZINC000821551431 605144306 /nfs/dbraw/zinc/14/43/06/605144306.db2.gz IAHSNHMHALRKBP-UHFFFAOYSA-N -1 3 285.318 3.303 20 0 CGADHM CC(C)(C)CN[C@@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000833430201 605358400 /nfs/dbraw/zinc/35/84/00/605358400.db2.gz JGYDJUHRYVFTHX-LLVKDONJSA-N -1 3 273.735 3.241 20 0 CGADHM O=C([O-])c1cc(CN2CCC[C@@H]2/C=C/c2ccccc2)c[nH]1 ZINC000833780120 605731908 /nfs/dbraw/zinc/73/19/08/605731908.db2.gz QYNMPEJKWZWVCO-ROJDOSBLSA-N -1 3 296.370 3.391 20 0 CGADHM O=C([O-])N[C@@H]1C[C@@H](NCc2cccs2)c2ccccc21 ZINC000834157470 605788919 /nfs/dbraw/zinc/78/89/19/605788919.db2.gz HUZKZYKMWMKPCN-ZIAGYGMSSA-N -1 3 288.372 3.291 20 0 CGADHM C[C@@H]1CCCN(Cc2cc(C(=O)[O-])ccc2F)[C@H]1C ZINC000252129861 605834161 /nfs/dbraw/zinc/83/41/61/605834161.db2.gz KQNFLNXQZOJROO-MNOVXSKESA-N -1 3 265.328 3.144 20 0 CGADHM Cc1cc(C)cc([C@H](C)Nc2ccc(-c3nnn[n-]3)nc2)c1 ZINC000822196265 606079346 /nfs/dbraw/zinc/07/93/46/606079346.db2.gz BLQISRHSPVJBGF-LBPRGKRZSA-N -1 3 294.362 3.052 20 0 CGADHM Cc1cc(C)cc([C@H](C)Nc2ccc(-c3nn[n-]n3)nc2)c1 ZINC000822196265 606079349 /nfs/dbraw/zinc/07/93/49/606079349.db2.gz BLQISRHSPVJBGF-LBPRGKRZSA-N -1 3 294.362 3.052 20 0 CGADHM CCC[C@@H]1C[C@@H]1Nc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000821039513 606419788 /nfs/dbraw/zinc/41/97/88/606419788.db2.gz CWDUISNRGUPHGO-YGRLFVJLSA-N -1 3 294.362 3.015 20 0 CGADHM CCC[C@@H]1C[C@@H]1Nc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000821039513 606419789 /nfs/dbraw/zinc/41/97/89/606419789.db2.gz CWDUISNRGUPHGO-YGRLFVJLSA-N -1 3 294.362 3.015 20 0 CGADHM CC1(CNc2nc3ccccc3cc2-c2nnn[n-]2)CCC1 ZINC000820623298 606428733 /nfs/dbraw/zinc/42/87/33/606428733.db2.gz LAGGRWAKAGCBLX-UHFFFAOYSA-N -1 3 294.362 3.017 20 0 CGADHM CC1(CNc2nc3ccccc3cc2-c2nn[n-]n2)CCC1 ZINC000820623298 606428735 /nfs/dbraw/zinc/42/87/35/606428735.db2.gz LAGGRWAKAGCBLX-UHFFFAOYSA-N -1 3 294.362 3.017 20 0 CGADHM CCc1ccccc1NCc1ccc(-c2nnn[n-]2)cc1 ZINC000821496798 606694201 /nfs/dbraw/zinc/69/42/01/606694201.db2.gz JONOOZVTFLJSNM-UHFFFAOYSA-N -1 3 279.347 3.041 20 0 CGADHM CCc1ccccc1NCc1ccc(-c2nn[n-]n2)cc1 ZINC000821496798 606694202 /nfs/dbraw/zinc/69/42/02/606694202.db2.gz JONOOZVTFLJSNM-UHFFFAOYSA-N -1 3 279.347 3.041 20 0 CGADHM Fc1ccc(-c2nnn[n-]2)c(CSCC2CCC2)c1 ZINC000822758640 607035640 /nfs/dbraw/zinc/03/56/40/607035640.db2.gz UUMSCGHUTOAECO-UHFFFAOYSA-N -1 3 278.356 3.039 20 0 CGADHM Fc1ccc(-c2nn[n-]n2)c(CSCC2CCC2)c1 ZINC000822758640 607035642 /nfs/dbraw/zinc/03/56/42/607035642.db2.gz UUMSCGHUTOAECO-UHFFFAOYSA-N -1 3 278.356 3.039 20 0 CGADHM Cl/C=C/CSc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826349985 607844876 /nfs/dbraw/zinc/84/48/76/607844876.db2.gz CIFVNDASOZUAIS-DAFODLJHSA-N -1 3 287.175 3.365 20 0 CGADHM Cl/C=C/CSc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826349985 607844877 /nfs/dbraw/zinc/84/48/77/607844877.db2.gz CIFVNDASOZUAIS-DAFODLJHSA-N -1 3 287.175 3.365 20 0 CGADHM Cc1cccc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1F ZINC000826299434 609255319 /nfs/dbraw/zinc/25/53/19/609255319.db2.gz FHPYVGHZZUXFJU-LLVKDONJSA-N -1 3 297.337 3.487 20 0 CGADHM Cc1cccc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1F ZINC000826299434 609255320 /nfs/dbraw/zinc/25/53/20/609255320.db2.gz FHPYVGHZZUXFJU-LLVKDONJSA-N -1 3 297.337 3.487 20 0 CGADHM c1ccc2c(c1)CC[C@@H]2CNc1cccc(-c2nnn[n-]2)c1 ZINC000826517212 609511105 /nfs/dbraw/zinc/51/11/05/609511105.db2.gz VFERFQVQUVZVET-CQSZACIVSA-N -1 3 291.358 3.009 20 0 CGADHM c1ccc2c(c1)CC[C@@H]2CNc1cccc(-c2nn[n-]n2)c1 ZINC000826517212 609511108 /nfs/dbraw/zinc/51/11/08/609511108.db2.gz VFERFQVQUVZVET-CQSZACIVSA-N -1 3 291.358 3.009 20 0 CGADHM Cc1cc(C(C#N)=C([O-])C=Cc2ccsc2)nc(C)n1 ZINC000049405172 617606839 /nfs/dbraw/zinc/60/68/39/617606839.db2.gz VDRZHNVJSBBCPD-ITDFMYJTSA-N -1 3 283.356 3.045 20 0 CGADHM CC(C)Cc1ccc(CC(=O)[N-]OC/C=C/Cl)cc1 ZINC000812403867 617774463 /nfs/dbraw/zinc/77/44/63/617774463.db2.gz XSWYBKMWMQFBRN-FPYGCLRLSA-N -1 3 281.783 3.228 20 0 CGADHM CCc1cnc(CNC[C@@H](CC2CCCC2)C(=O)[O-])s1 ZINC000900084594 620759430 /nfs/dbraw/zinc/75/94/30/620759430.db2.gz VCWOLDXBTCMJQA-GFCCVEGCSA-N -1 3 296.436 3.076 20 0 CGADHM CC(C)=C[C@@H]1[C@@H](C(=O)[N-]OCCC(F)(F)F)C1(C)C ZINC000162974702 618884512 /nfs/dbraw/zinc/88/45/12/618884512.db2.gz RLNPLVCYULSEPW-ZJUUUORDSA-N -1 3 279.302 3.225 20 0 CGADHM [O-]c1ccc(CNCc2nc(C3CC3)cs2)cc1F ZINC000893172795 619017134 /nfs/dbraw/zinc/01/71/34/619017134.db2.gz VLKXHTQTBBFGRI-UHFFFAOYSA-N -1 3 278.352 3.155 20 0 CGADHM C[C@H]1C[C@H]1C(=O)COC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000909335346 619150833 /nfs/dbraw/zinc/15/08/33/619150833.db2.gz NLEHQZSPZAEIHA-POYBYMJQSA-N -1 3 297.763 3.265 20 0 CGADHM COC(C)(C)[C@H](C)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000928602204 619930999 /nfs/dbraw/zinc/93/09/99/619930999.db2.gz JPGBEMHHJILULD-NSHDSACASA-N -1 3 287.359 3.089 20 0 CGADHM [O-]c1cccc(CN2CCC(O)(C3CCC3)CC2)c1Cl ZINC000897036427 620124173 /nfs/dbraw/zinc/12/41/73/620124173.db2.gz KFTOGRBDYDKKPM-UHFFFAOYSA-N -1 3 295.810 3.173 20 0 CGADHM [O-]c1ccc(F)c(CN[C@@H]2CCCc3cccnc32)c1F ZINC000897070450 620134620 /nfs/dbraw/zinc/13/46/20/620134620.db2.gz JNGFJYDLCIBKRM-CYBMUJFWSA-N -1 3 290.313 3.233 20 0 CGADHM CCC(CC)(CNCc1csc(C(C)(C)C)n1)C(=O)[O-] ZINC000263019850 620286819 /nfs/dbraw/zinc/28/68/19/620286819.db2.gz DSTLKJJJFIZTCA-UHFFFAOYSA-N -1 3 298.452 3.421 20 0 CGADHM C[C@H]1CC[C@@H](C(=O)[O-])CN1Cc1cc(Cl)cs1 ZINC000263454797 620320474 /nfs/dbraw/zinc/32/04/74/620320474.db2.gz AMQYWFUWPVMHJE-DTWKUNHWSA-N -1 3 273.785 3.087 20 0 CGADHM CC(C)CCCCCC(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898216796 620488684 /nfs/dbraw/zinc/48/86/84/620488684.db2.gz WMYNJQGJYYHRBI-CYBMUJFWSA-N -1 3 293.411 3.038 20 0 CGADHM C[C@@H](CCO[N-]C(=O)CC(C)(C)C)OCc1ccccc1 ZINC000842061373 620575626 /nfs/dbraw/zinc/57/56/26/620575626.db2.gz IYPVJEREPVGBDQ-AWEZNQCLSA-N -1 3 293.407 3.466 20 0 CGADHM CCc1oc(CN2CC[C@H]3CC[C@@H](C2)S3)cc1C(=O)[O-] ZINC000901539748 620919497 /nfs/dbraw/zinc/91/94/97/620919497.db2.gz KRFWAMBYPCRDLF-NEPJUHHUSA-N -1 3 295.404 3.010 20 0 CGADHM CC(C)C1(CN2Cc3ccc(C(=O)[O-])cc3C2)CC1 ZINC000901649210 620962528 /nfs/dbraw/zinc/96/25/28/620962528.db2.gz WIMGMNWWIZTWQB-UHFFFAOYSA-N -1 3 259.349 3.137 20 0 CGADHM C[C@H](N[C@@H](CCC(=O)[O-])c1ccccc1)c1ccccn1 ZINC000901648673 620963219 /nfs/dbraw/zinc/96/32/19/620963219.db2.gz RWHYNSROXUEKBP-BBRMVZONSA-N -1 3 284.359 3.338 20 0 CGADHM Cc1ccc(C)c(CN2CC3(CCC3)[C@@](F)(C(=O)[O-])C2)c1 ZINC000901917275 621061628 /nfs/dbraw/zinc/06/16/28/621061628.db2.gz YOMHNXAFZCUAET-KRWDZBQOSA-N -1 3 291.366 3.082 20 0 CGADHM O=C([O-])c1ccc(CN2CCC[C@H](CF)C2)cc1Cl ZINC000902297251 621244066 /nfs/dbraw/zinc/24/40/66/621244066.db2.gz JWZXSWATBTUOTJ-LLVKDONJSA-N -1 3 285.746 3.220 20 0 CGADHM CN(CCc1cccs1)Cc1ccc(/C=C/C(=O)[O-])o1 ZINC000902323734 621260484 /nfs/dbraw/zinc/26/04/84/621260484.db2.gz GSTFUQHBLCNZLP-VOTSOKGWSA-N -1 3 291.372 3.113 20 0 CGADHM C[C@@H](CN(C)Cc1cc(C(=O)[O-])no1)C1CCCCC1 ZINC000902324516 621262439 /nfs/dbraw/zinc/26/24/39/621262439.db2.gz FTPGEZWNFDXUOK-NSHDSACASA-N -1 3 280.368 3.021 20 0 CGADHM C[C@H]1CCc2ccccc2[C@@H]1NCc1cc(C(=O)[O-])co1 ZINC000902338315 621272317 /nfs/dbraw/zinc/27/23/17/621272317.db2.gz PNGYXIWYOCONBB-MEDUHNTESA-N -1 3 285.343 3.391 20 0 CGADHM CN(Cc1ccc(C(=O)[O-])o1)C(C)(C)c1ccccc1 ZINC000902547452 621371560 /nfs/dbraw/zinc/37/15/60/621371560.db2.gz QLLUSHPFHMYVJA-UHFFFAOYSA-N -1 3 273.332 3.345 20 0 CGADHM C[C@@H]1[C@H](C(F)(F)F)CCN1Cc1ccc(C(=O)[O-])s1 ZINC000903686023 621788656 /nfs/dbraw/zinc/78/86/56/621788656.db2.gz CKXAUILGHNNMRC-VXNVDRBHSA-N -1 3 293.310 3.219 20 0 CGADHM C[C@@H]1CCC[C@@H]([C@@H](CNCc2cscn2)CC(=O)[O-])C1 ZINC000904033112 621856662 /nfs/dbraw/zinc/85/66/62/621856662.db2.gz QRCLBYBENYVJEZ-JHJVBQTASA-N -1 3 296.436 3.150 20 0 CGADHM Cc1cccc([C@@H](CC(=O)[O-])NCc2cccnc2C)c1 ZINC000904045910 621859156 /nfs/dbraw/zinc/85/91/56/621859156.db2.gz RCWXTIDYBQSZME-MRXNPFEDSA-N -1 3 284.359 3.004 20 0 CGADHM CN(Cc1nc(-c2ccc([O-])c(F)c2)no1)CC(C)(C)C ZINC000904051285 621860243 /nfs/dbraw/zinc/86/02/43/621860243.db2.gz UHYZNQNFZVHCAY-UHFFFAOYSA-N -1 3 293.342 3.059 20 0 CGADHM [O-]c1ccc(Cc2nc(-c3ccsc3)no2)cc1F ZINC000904299024 621901085 /nfs/dbraw/zinc/90/10/85/621901085.db2.gz ODVKVINMRNSVID-UHFFFAOYSA-N -1 3 276.292 3.234 20 0 CGADHM CC(C)(C(=O)Nc1cccc(Cl)c1[O-])N1CCCCC1 ZINC000907143633 622284176 /nfs/dbraw/zinc/28/41/76/622284176.db2.gz CJTJMRFLHXAIQB-UHFFFAOYSA-N -1 3 296.798 3.249 20 0 CGADHM O=C(OCCCc1ccccc1)c1cc(-c2ccco2)[n-]n1 ZINC000913302126 622757532 /nfs/dbraw/zinc/75/75/32/622757532.db2.gz OPDUALRSYWCPLX-UHFFFAOYSA-N -1 3 296.326 3.459 20 0 CGADHM O=C(OCCCc1ccccc1)c1cc(-c2ccco2)n[n-]1 ZINC000913302126 622757534 /nfs/dbraw/zinc/75/75/34/622757534.db2.gz OPDUALRSYWCPLX-UHFFFAOYSA-N -1 3 296.326 3.459 20 0 CGADHM COc1ccccc1COC(=O)c1cc(-c2ccco2)[n-]n1 ZINC000913302210 622757840 /nfs/dbraw/zinc/75/78/40/622757840.db2.gz RAVALDGHAGMYER-UHFFFAOYSA-N -1 3 298.298 3.035 20 0 CGADHM COc1ccccc1COC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000913302210 622757848 /nfs/dbraw/zinc/75/78/48/622757848.db2.gz RAVALDGHAGMYER-UHFFFAOYSA-N -1 3 298.298 3.035 20 0 CGADHM CC(C)CCCCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000913356605 622762483 /nfs/dbraw/zinc/76/24/83/622762483.db2.gz AWJWDQZSPHORCW-UHFFFAOYSA-N -1 3 287.367 3.022 20 0 CGADHM CC(C)CCCCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000913356605 622762490 /nfs/dbraw/zinc/76/24/90/622762490.db2.gz AWJWDQZSPHORCW-UHFFFAOYSA-N -1 3 287.367 3.022 20 0 CGADHM CCO[C@@H](c1noc(-c2cc(OC)ccc2[O-])n1)C(C)C ZINC000157403555 622900927 /nfs/dbraw/zinc/90/09/27/622900927.db2.gz MFWGDRCUYZBSFM-CYBMUJFWSA-N -1 3 292.335 3.184 20 0 CGADHM CC[C@@]1(C(=O)[O-])CCCN(Cc2cccc(F)c2F)C1 ZINC000062877278 623273321 /nfs/dbraw/zinc/27/33/21/623273321.db2.gz LTBYUMNNXPLUPJ-OAHLLOKOSA-N -1 3 283.318 3.042 20 0 CGADHM Cc1ccnc(S[C@@H](C)c2nc(C)cc(=O)[n-]2)c1 ZINC000918801778 624375418 /nfs/dbraw/zinc/37/54/18/624375418.db2.gz RVKNWCUDOAUGOM-JTQLQIEISA-N -1 3 261.350 3.047 20 0 CGADHM O=C([N-]c1cc(F)ccc1F)c1scnc1Cl ZINC000920078272 624443635 /nfs/dbraw/zinc/44/36/35/624443635.db2.gz FLYQHNHMWLPJNU-UHFFFAOYSA-N -1 3 274.679 3.327 20 0 CGADHM CCC/C=C/C(=O)Nc1ccc(Br)cc1[O-] ZINC000920457286 624498174 /nfs/dbraw/zinc/49/81/74/624498174.db2.gz LGPSCCMTYPEDAP-SNAWJCMRSA-N -1 3 284.153 3.450 20 0 CGADHM [O-]c1ccc(Cl)cc1/C=N/[C@@H]1CCCOCC1 ZINC000182699177 625026533 /nfs/dbraw/zinc/02/65/33/625026533.db2.gz BPZCKBVPZPCSNC-KMHUVPDISA-N -1 3 253.729 3.034 20 0 CGADHM CCOCCO[N-]C(=O)C[C@H](C)c1ccc(C(C)C)cc1 ZINC000184837914 625276213 /nfs/dbraw/zinc/27/62/13/625276213.db2.gz JFYPQTRPYJOOJY-AWEZNQCLSA-N -1 3 293.407 3.388 20 0 CGADHM O=C([O-])[C@@H]1CN(C[C@@H]2CC3CCC2CC3)Cc2ccccc21 ZINC000923254857 626140086 /nfs/dbraw/zinc/14/00/86/626140086.db2.gz FXVWZQXHSSPIGN-TXVKYFBMSA-N -1 3 299.414 3.497 20 0 CGADHM CC(C)CC(=O)COC(=O)c1cc2ccsc2[n-]1 ZINC000751638527 626399807 /nfs/dbraw/zinc/39/98/07/626399807.db2.gz SUTZMICXDVUDSD-UHFFFAOYSA-N -1 3 265.334 3.001 20 0 CGADHM Cc1nc2ccc(NC(=O)c3ccc(N)cc3[O-])cc2s1 ZINC000753263648 626449464 /nfs/dbraw/zinc/44/94/64/626449464.db2.gz VMVNCFBGRLCAEH-UHFFFAOYSA-N -1 3 299.355 3.145 20 0 CGADHM CCC1(C(=O)[N-]OCc2ccc(F)cc2)CCCC1 ZINC000754715828 626584192 /nfs/dbraw/zinc/58/41/92/626584192.db2.gz DSCQMKVOFBKNJV-UHFFFAOYSA-N -1 3 265.328 3.344 20 0 CGADHM CC(C)Oc1ccc(CNCc2ccccc2C(=O)[O-])cc1 ZINC000874043565 634508033 /nfs/dbraw/zinc/50/80/33/634508033.db2.gz PNDLMDBFMHMOGL-UHFFFAOYSA-N -1 3 299.370 3.462 20 0 CGADHM Cc1cc(CN[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])c(C)o1 ZINC000756385668 626699350 /nfs/dbraw/zinc/69/93/50/626699350.db2.gz RHMIYOHDJMBLTM-MLGOLLRUSA-N -1 3 287.359 3.448 20 0 CGADHM O=C(C[C@H](c1ccc(O)cc1)C1CC1)[N-]OC1CCCC1 ZINC000839719737 626782282 /nfs/dbraw/zinc/78/22/82/626782282.db2.gz YROIVDWXZFIEEZ-INIZCTEOSA-N -1 3 289.375 3.266 20 0 CGADHM Cc1cccc([O-])c1NC(=O)C(=O)c1ccc(Cl)s1 ZINC000760485621 626973646 /nfs/dbraw/zinc/97/36/46/626973646.db2.gz QEKCGZWIIYZFRT-UHFFFAOYSA-N -1 3 295.747 3.237 20 0 CGADHM C[C@@H]([N-]C(=O)C(F)(F)c1ccccc1F)c1ccccn1 ZINC000765540568 627257800 /nfs/dbraw/zinc/25/78/00/627257800.db2.gz KBFHWYHDDYIEFO-SNVBAGLBSA-N -1 3 294.276 3.190 20 0 CGADHM CCC1(CC)CCCN1C(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000874629789 634576017 /nfs/dbraw/zinc/57/60/17/634576017.db2.gz KWYUKUJYAVDKEL-UHFFFAOYSA-N -1 3 289.375 3.390 20 0 CGADHM Cc1nc(S[C@@H](C)c2nc(C)cc(=O)[n-]2)sc1C ZINC000768398838 627478812 /nfs/dbraw/zinc/47/88/12/627478812.db2.gz KRNQQVSOMDUHIT-VIFPVBQESA-N -1 3 281.406 3.417 20 0 CGADHM CC(C)(C)CC(=O)COC(=O)c1cccc(Cl)c1[O-] ZINC000805524145 628028639 /nfs/dbraw/zinc/02/86/39/628028639.db2.gz ROJYCXDYGGSQBB-UHFFFAOYSA-N -1 3 284.739 3.208 20 0 CGADHM O=C(C[C@@H]1CCCc2ccccc21)[N-]OC1CCCC1 ZINC000774875327 628045830 /nfs/dbraw/zinc/04/58/30/628045830.db2.gz PHIPFUCHSXHCSC-AWEZNQCLSA-N -1 3 273.376 3.487 20 0 CGADHM Cc1cc(=O)[n-]c(CNC(C)(C)c2cccc(Cl)c2)n1 ZINC000775446630 628095819 /nfs/dbraw/zinc/09/58/19/628095819.db2.gz QJBQECRRSHSPMM-UHFFFAOYSA-N -1 3 291.782 3.169 20 0 CGADHM O=C(CCCCCc1ccc(O)cc1)[N-]OC1CCCC1 ZINC000775617858 628113900 /nfs/dbraw/zinc/11/39/00/628113900.db2.gz LRZNFHZDAWJHRI-UHFFFAOYSA-N -1 3 291.391 3.486 20 0 CGADHM O=C(OCC(F)(F)C(F)F)c1cccc(Cl)c1[O-] ZINC000775931432 628150522 /nfs/dbraw/zinc/15/05/22/628150522.db2.gz XDYMMMZMLZECGR-UHFFFAOYSA-N -1 3 286.608 3.103 20 0 CGADHM CC(C)CO[N-]C(=O)CCCCC(=O)c1ccc(F)cc1 ZINC000777816564 628301184 /nfs/dbraw/zinc/30/11/84/628301184.db2.gz UIXANNLUCBZQFV-UHFFFAOYSA-N -1 3 295.354 3.273 20 0 CGADHM CC(C)Oc1ccccc1CC(=O)[N-]OC1CCCCC1 ZINC000777957955 628313945 /nfs/dbraw/zinc/31/39/45/628313945.db2.gz IXIVQZZPHLQUKW-UHFFFAOYSA-N -1 3 291.391 3.397 20 0 CGADHM O=C(C[C@H]1CCc2ccccc21)[N-]OC1CCCCC1 ZINC000777959786 628314549 /nfs/dbraw/zinc/31/45/49/628314549.db2.gz CZZUWRFQWDKZSI-CQSZACIVSA-N -1 3 273.376 3.487 20 0 CGADHM O=C(C[C@H]1CCC(F)(F)C1)[N-]Oc1ccccc1F ZINC000874910377 634649801 /nfs/dbraw/zinc/64/98/01/634649801.db2.gz QORMENGRVQZXCH-SECBINFHSA-N -1 3 273.254 3.061 20 0 CGADHM C/C(=C/c1ccc(C)cc1)C(=O)[N-]OCC(F)(F)F ZINC000778907748 628378151 /nfs/dbraw/zinc/37/81/51/628378151.db2.gz ZEBPWUHUXJGYNY-YFHOEESVSA-N -1 3 273.254 3.008 20 0 CGADHM O=C([N-][C@@H]1CC[C@@H](Cc2ccccc2)C1)C(F)(F)F ZINC000783850820 628751019 /nfs/dbraw/zinc/75/10/19/628751019.db2.gz ORTPTFRDDVUQQY-NWDGAFQWSA-N -1 3 271.282 3.076 20 0 CGADHM CO[C@H]1Cc2ccc(NC(=O)c3ccc(C)cc3[O-])cc2C1 ZINC000784227127 628796211 /nfs/dbraw/zinc/79/62/11/628796211.db2.gz XPBXKTQUFHKEDT-HNNXBMFYSA-N -1 3 297.354 3.067 20 0 CGADHM O=C(OCc1ncc(Cl)s1)c1cc2occc2[n-]1 ZINC000786031495 628907165 /nfs/dbraw/zinc/90/71/65/628907165.db2.gz BZAXUZODYIMSGE-UHFFFAOYSA-N -1 3 282.708 3.228 20 0 CGADHM O=C(NCc1ccco1)c1cc2sccc2c([O-])c1 ZINC000788262206 629043868 /nfs/dbraw/zinc/04/38/68/629043868.db2.gz UUEQXQQJIKVMSF-UHFFFAOYSA-N -1 3 273.313 3.130 20 0 CGADHM O=C([N-]c1ccc(F)c(F)c1F)c1nc(Cl)cs1 ZINC000790618299 629221592 /nfs/dbraw/zinc/22/15/92/629221592.db2.gz JCPULXIVVJRWEX-UHFFFAOYSA-N -1 3 292.669 3.466 20 0 CGADHM CCO[C@H]1CCCN(C(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000792085321 629336109 /nfs/dbraw/zinc/33/61/09/629336109.db2.gz QGMAKPOEDVMQFB-HNNXBMFYSA-N -1 3 299.370 3.187 20 0 CGADHM Cc1cccc(CC(=O)[N-]OC2CCCC2)c1Cl ZINC000792609688 629370954 /nfs/dbraw/zinc/37/09/54/629370954.db2.gz MMXRQSJEQPJFSD-UHFFFAOYSA-N -1 3 267.756 3.181 20 0 CGADHM CCCCCC[C@@H](CC)C(=O)NCc1ncccc1[O-] ZINC000792615866 629371006 /nfs/dbraw/zinc/37/10/06/629371006.db2.gz VEPJXRXSWHOBSC-CYBMUJFWSA-N -1 3 278.396 3.400 20 0 CGADHM C[C@@H]1CN(Cc2c(F)ccc([O-])c2F)C[C@H](C)C1(F)F ZINC000862438415 629372616 /nfs/dbraw/zinc/37/26/16/629372616.db2.gz AUJISQDWLPWGFM-DTORHVGOSA-N -1 3 291.288 3.394 20 0 CGADHM CC(C)c1coc([N-]C(=O)c2scnc2Cl)n1 ZINC000875984849 634761551 /nfs/dbraw/zinc/76/15/51/634761551.db2.gz OHUMHHSXNARIKE-UHFFFAOYSA-N -1 3 271.729 3.160 20 0 CGADHM CCn1c2ccccc2nc1CNCc1ccc([O-])c(F)c1 ZINC000120467145 630040048 /nfs/dbraw/zinc/04/00/48/630040048.db2.gz CQVVVNHSHLRBOL-UHFFFAOYSA-N -1 3 299.349 3.191 20 0 CGADHM CCc1ccccc1OCCC(=O)[N-]OC1CCCCC1 ZINC000803129187 630448957 /nfs/dbraw/zinc/44/89/57/630448957.db2.gz UMZSOHZRSBSEJF-UHFFFAOYSA-N -1 3 291.391 3.398 20 0 CGADHM CC(=O)c1cccc(NC(=O)C=Cc2ccccc2)c1[O-] ZINC000808188505 630630086 /nfs/dbraw/zinc/63/00/86/630630086.db2.gz YTMRIBUXQZUWMZ-KHPPLWFESA-N -1 3 281.311 3.247 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])C1(F)CCCCC1 ZINC000810475781 630880254 /nfs/dbraw/zinc/88/02/54/630880254.db2.gz HLNQWBKBKJLEJZ-UHFFFAOYSA-N -1 3 255.264 3.142 20 0 CGADHM O=C(O[C@@H]1CCCOC1)c1cc2cc(Cl)sc2[n-]1 ZINC000810628627 630911351 /nfs/dbraw/zinc/91/13/51/630911351.db2.gz NKJQDBGCQVREIE-MRVPVSSYSA-N -1 3 285.752 3.219 20 0 CGADHM CC(C)(C)c1ccc(CC(=O)[N-]OC/C=C\Cl)cc1 ZINC000812402212 631245308 /nfs/dbraw/zinc/24/53/08/631245308.db2.gz RNTBRHBAJDYLDF-WTKPLQERSA-N -1 3 281.783 3.327 20 0 CGADHM CC(C)COc1ccc(CC(=O)[N-]OC/C=C\Cl)cc1 ZINC000812404411 631247044 /nfs/dbraw/zinc/24/70/44/631247044.db2.gz CQXVBCXEISOTDF-BAQGIRSFSA-N -1 3 297.782 3.064 20 0 CGADHM Cc1ccc2c(CCC(=O)[N-]OC3CCC3)c[nH]c2c1 ZINC000812792129 631310870 /nfs/dbraw/zinc/31/08/70/631310870.db2.gz MJOKJNHLCJNSPL-UHFFFAOYSA-N -1 3 272.348 3.009 20 0 CGADHM Cc1cc(CCCC(=O)[N-]OCCOC(C)C)c(C)s1 ZINC000812808025 631316444 /nfs/dbraw/zinc/31/64/44/631316444.db2.gz PAHLHXFBJQDFCR-UHFFFAOYSA-N -1 3 299.436 3.160 20 0 CGADHM CC[C@H](C)CONC(=O)c1ccc(C(C)C)cc1[O-] ZINC000816978243 632067764 /nfs/dbraw/zinc/06/77/64/632067764.db2.gz PQLAULCRMHQRIC-NSHDSACASA-N -1 3 265.353 3.223 20 0 CGADHM Cc1ccc(SCCC(=O)[N-]OCC2CC2)cc1C ZINC000817329942 632123572 /nfs/dbraw/zinc/12/35/72/632123572.db2.gz GFRMIWAHIPJMOJ-UHFFFAOYSA-N -1 3 279.405 3.243 20 0 CGADHM Cc1nc2ccccc2c(C)c1CC(=O)[N-]OCCC1CC1 ZINC000817371903 632132582 /nfs/dbraw/zinc/13/25/82/632132582.db2.gz BPIWZFJIPRMAGN-UHFFFAOYSA-N -1 3 298.386 3.242 20 0 CGADHM CC(C)(CCNC(=O)c1ccc(N)cc1[O-])c1ccccc1 ZINC000817926263 632235270 /nfs/dbraw/zinc/23/52/70/632235270.db2.gz COKZBZZDNMOOGL-UHFFFAOYSA-N -1 3 298.386 3.072 20 0 CGADHM Cc1cccc([C@H]2CCCN2C(=O)c2ccc(N)cc2[O-])c1 ZINC000817915721 632235355 /nfs/dbraw/zinc/23/53/55/632235355.db2.gz QGOKTAZWWABEBF-MRXNPFEDSA-N -1 3 296.370 3.260 20 0 CGADHM Cc1ccccc1C(C)(C)[N-]C(=O)C(F)(F)C(F)F ZINC000818332899 632306245 /nfs/dbraw/zinc/30/62/45/632306245.db2.gz VHPVOIBSUINJIR-UHFFFAOYSA-N -1 3 277.261 3.247 20 0 CGADHM CCc1ccc(C(=O)N(CC(F)(F)F)C2CC2)c([O-])c1 ZINC000819995136 632556203 /nfs/dbraw/zinc/55/62/03/632556203.db2.gz PJPSQQLDRSEVBE-UHFFFAOYSA-N -1 3 287.281 3.122 20 0 CGADHM CSc1ccncc1[N-]C(=O)c1coc(C(C)(C)C)n1 ZINC000820648083 632659843 /nfs/dbraw/zinc/65/98/43/632659843.db2.gz PNZPOPWUMDFEEX-UHFFFAOYSA-N -1 3 291.376 3.341 20 0 CGADHM CC(C)(CC(=O)[N-]OC/C=C/Cl)CC(F)(F)F ZINC000880058674 635905375 /nfs/dbraw/zinc/90/53/75/635905375.db2.gz FBLCWTFMDKUGSS-ONEGZZNKSA-N -1 3 273.682 3.155 20 0 CGADHM CC(C)O[N-]C(=O)CCc1cccc2ccccc21 ZINC000868658308 633348535 /nfs/dbraw/zinc/34/85/35/633348535.db2.gz SOTLWEKFWIHGEN-UHFFFAOYSA-N -1 3 257.333 3.229 20 0 CGADHM O=C(NCCC[C@H]1CC1(Cl)Cl)c1ccccc1[O-] ZINC000844962337 635990935 /nfs/dbraw/zinc/99/09/35/635990935.db2.gz BQCFVLLDOLIJGH-VIFPVBQESA-N -1 3 288.174 3.096 20 0 CGADHM Cc1ccc(CCC(=O)[N-]OCCCC(F)(F)F)cc1 ZINC000871210604 633727962 /nfs/dbraw/zinc/72/79/62/633727962.db2.gz QZJWQJZUUUZAMX-UHFFFAOYSA-N -1 3 289.297 3.318 20 0 CGADHM CC1(C)CC(CC(=O)[N-]OCCCC(F)(F)F)C1 ZINC000871216105 633730902 /nfs/dbraw/zinc/73/09/02/633730902.db2.gz NGUYENOMTFYEHK-UHFFFAOYSA-N -1 3 267.291 3.203 20 0 CGADHM O=C(Nc1ccc(Cl)cc1[O-])C1CC2(CC2(F)F)C1 ZINC000831249982 633932807 /nfs/dbraw/zinc/93/28/07/633932807.db2.gz LDKJMFRFQKZZQC-UHFFFAOYSA-N -1 3 287.693 3.420 20 0 CGADHM Cc1ccccc1[C@H](CO)N[C@@H](C)c1cccc([O-])c1F ZINC000872039256 633959644 /nfs/dbraw/zinc/95/96/44/633959644.db2.gz FIWDXEPUWWKBKP-WFASDCNBSA-N -1 3 289.350 3.224 20 0 CGADHM C[C@H](Nc1cnn2c1CCCC2)c1cccc([O-])c1F ZINC000872093356 634017882 /nfs/dbraw/zinc/01/78/82/634017882.db2.gz UXSJMTGATYLTFK-JTQLQIEISA-N -1 3 275.327 3.237 20 0 CGADHM O=C([O-])[C@@H](c1ccsc1)N1CCC[C@H](C(F)(F)F)C1 ZINC000872162980 634072559 /nfs/dbraw/zinc/07/25/59/634072559.db2.gz QTWXUYHDIUDOQG-VHSXEESVSA-N -1 3 293.310 3.148 20 0 CGADHM CC[C@H](OC(=O)c1cc2sccc2c([O-])c1)C(C)=O ZINC000873382601 634351605 /nfs/dbraw/zinc/35/16/05/634351605.db2.gz CAYGUFIQQCZZBF-LBPRGKRZSA-N -1 3 278.329 3.131 20 0 CGADHM C[C@H]1CC[C@@](C)(C(=O)[N-]OCc2cccnc2)C1(C)C ZINC000837487601 634918596 /nfs/dbraw/zinc/91/85/96/634918596.db2.gz LBZBUGXIEDMPSM-LRDDRELGSA-N -1 3 276.380 3.092 20 0 CGADHM Nc1ccc(C(=O)N[C@@H]2CCC[C@@H]2c2ccccc2)c([O-])c1 ZINC000877122395 634990381 /nfs/dbraw/zinc/99/03/81/634990381.db2.gz SIKXTTJKJXPWPX-GDBMZVCRSA-N -1 3 296.370 3.041 20 0 CGADHM O=C(/C=C\c1ccccc1Cl)Nc1ncccc1[O-] ZINC000843419628 635664799 /nfs/dbraw/zinc/66/47/99/635664799.db2.gz MLMFDESLOSPKHB-FPLPWBNLSA-N -1 3 274.707 3.093 20 0 CGADHM Cc1ccc(C(=O)COC(=O)c2ccc([O-])cc2)c(C)c1 ZINC000005061008 635757411 /nfs/dbraw/zinc/75/74/11/635757411.db2.gz PYOKAJLJHGHMKT-UHFFFAOYSA-N -1 3 284.311 3.049 20 0 CGADHM CC(C)(C)C(=O)COC(=O)c1cc2ccsc2[n-]1 ZINC000023345539 635793954 /nfs/dbraw/zinc/79/39/54/635793954.db2.gz IJXFBRDWKSCYAU-UHFFFAOYSA-N -1 3 265.334 3.001 20 0 CGADHM CC(C)(CC(=O)[N-]OC1CCCCC1)CC(F)F ZINC000879567824 635813722 /nfs/dbraw/zinc/81/37/22/635813722.db2.gz JZJSPGPHGWCBHA-UHFFFAOYSA-N -1 3 263.328 3.438 20 0 CGADHM O=C(N[C@@H]1CC[C@H]2C[C@H]2C1)c1cc([O-])c2ccccc2c1 ZINC000844105765 635823029 /nfs/dbraw/zinc/82/30/29/635823029.db2.gz JQXACLYRDJPBRM-CORIIIEPSA-N -1 3 281.355 3.464 20 0 CGADHM Cc1cc(C)c(/C=C/C(=O)[N-]O[C@H]2CCCCO2)cc1C ZINC000128138269 635900140 /nfs/dbraw/zinc/90/01/40/635900140.db2.gz QQHUOKYAFOIWAH-OZSKJFCKSA-N -1 3 289.375 3.199 20 0 CGADHM CC1(C)C[C@@H](NC(=O)c2cc([O-])ccc2Cl)CCS1 ZINC000888800693 635921023 /nfs/dbraw/zinc/92/10/23/635921023.db2.gz NPHPDDDNCXYBGA-VIFPVBQESA-N -1 3 299.823 3.450 20 0 CGADHM Cc1cc(=O)[n-]c(CSc2nc(C(C)C)cs2)n1 ZINC000845330285 636024271 /nfs/dbraw/zinc/02/42/71/636024271.db2.gz MFQXMANAXOMDBA-UHFFFAOYSA-N -1 3 281.406 3.363 20 0 CGADHM C/C(=C\CN1CC=C(c2cc(C)cc(C)c2)CC1)C(=O)[O-] ZINC000846257576 636167429 /nfs/dbraw/zinc/16/74/29/636167429.db2.gz SBOHILMZPGQULA-SYZQJQIISA-N -1 3 285.387 3.423 20 0 CGADHM C[Si](C)(C)CCCC(=O)NCc1ccc([O-])c(F)c1 ZINC000847591369 636401014 /nfs/dbraw/zinc/40/10/14/636401014.db2.gz UPQLJCCDXSFTAF-UHFFFAOYSA-N -1 3 283.419 3.266 20 0 CGADHM CCCc1cc(=O)[n-]c(C(=Cc2cncc(OC)c2)CC)n1 ZINC000849248501 636781257 /nfs/dbraw/zinc/78/12/57/636781257.db2.gz TWYWIAIQNVDYRT-NTUHNPAUSA-N -1 3 299.374 3.077 20 0 CGADHM CO[C@@H](COC(=O)c1cc(Cl)c(Cl)[n-]1)C1CCC1 ZINC000849673497 636843148 /nfs/dbraw/zinc/84/31/48/636843148.db2.gz VTTLLTWEOPJJAU-JTQLQIEISA-N -1 3 292.162 3.293 20 0 CGADHM O=C([O-])c1ccccc1CC1CCN(C/C=C\Cl)CC1 ZINC000851707009 637467617 /nfs/dbraw/zinc/46/76/17/637467617.db2.gz PTJPXQZFSPOFPN-BAQGIRSFSA-N -1 3 293.794 3.392 20 0 CGADHM Cc1ccc(SCCC(=O)[N-]OCC2CCC2)cc1 ZINC000856343142 638344402 /nfs/dbraw/zinc/34/44/02/638344402.db2.gz WCZFMWVFIHXMAQ-UHFFFAOYSA-N -1 3 279.405 3.325 20 0 CGADHM O=C(C[C@@H]1OCc2cc(Cl)ccc21)[N-]OCC1CCC1 ZINC000856342673 638344967 /nfs/dbraw/zinc/34/49/67/638344967.db2.gz WVSSWWXBSNSHFY-AWEZNQCLSA-N -1 3 295.766 3.149 20 0 CGADHM Cc1ccccc1[C@H](C)CC(=O)[N-]OCC1CCC1 ZINC000856349233 638349549 /nfs/dbraw/zinc/34/95/49/638349549.db2.gz KYWLJVPRDDUCFD-CYBMUJFWSA-N -1 3 261.365 3.337 20 0 CGADHM CC1(C)CC[C@@H]1NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000857258413 638484927 /nfs/dbraw/zinc/48/49/27/638484927.db2.gz VAEPGMOFXQSOQK-NSHDSACASA-N -1 3 287.281 3.329 20 0 CGADHM O=C(Cc1coc2cc(Cl)ccc12)[N-]OCC1CC1 ZINC000861824953 639617664 /nfs/dbraw/zinc/61/76/64/639617664.db2.gz YREQPGVORNKKOL-UHFFFAOYSA-N -1 3 279.723 3.087 20 0 CGADHM O=C(Cc1coc2cc(Cl)ccc12)[N-]OC1CCC1 ZINC000861881342 639624085 /nfs/dbraw/zinc/62/40/85/639624085.db2.gz SOOWMFWWFKCTHN-UHFFFAOYSA-N -1 3 279.723 3.229 20 0 CGADHM Cc1cccc([O-])c1C(=O)NC[C@@]1(C)CC1(Cl)Cl ZINC000861894484 639625919 /nfs/dbraw/zinc/62/59/19/639625919.db2.gz RQCAPVNEFBONFP-GFCCVEGCSA-N -1 3 288.174 3.014 20 0 CGADHM CC1=C(C)C[C@](C)(C(=O)[N-]OCc2cccnc2)CC1 ZINC000935015735 639731659 /nfs/dbraw/zinc/73/16/59/639731659.db2.gz BMZGYEWTBKUQTG-MRXNPFEDSA-N -1 3 274.364 3.156 20 0 CGADHM O=C([N-]OCc1ccc(C(F)(F)F)cc1)[C@]12C[C@H]1CCC2 ZINC000935018514 639732529 /nfs/dbraw/zinc/73/25/29/639732529.db2.gz PEFCKWLQZKEOTI-TZMCWYRMSA-N -1 3 299.292 3.443 20 0 CGADHM O=C(C[C@@H]1CC[C@@H](C2CC2)O1)Nc1ccc(Cl)cc1[O-] ZINC000935098889 639747738 /nfs/dbraw/zinc/74/77/38/639747738.db2.gz DGQGYBTWFUEMRD-FZMZJTMJSA-N -1 3 295.766 3.332 20 0 CGADHM O=C(/C=C/c1ccccc1F)NCc1ccc([O-])c(F)c1 ZINC000156244711 639973875 /nfs/dbraw/zinc/97/38/75/639973875.db2.gz QNAVEZTZMJUJQP-SOFGYWHQSA-N -1 3 289.281 3.000 20 0 CGADHM CN(C(C)(C)C)C(F)(F)c1cc(Cl)nc(=S)[n-]1 ZINC001165023835 721833845 /nfs/dbraw/zinc/83/38/45/721833845.db2.gz VXSYRTBFIFQZPD-UHFFFAOYSA-N -1 3 281.759 3.198 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2cnn(C3CCCC3)c2)c1 ZINC001156028865 805643608 /nfs/dbraw/zinc/64/36/08/805643608.db2.gz DAORYVFYCQOSQR-UHFFFAOYSA-N -1 3 285.347 3.265 20 0 CGADHM COc1ccc(OC)c(-c2c(F)ccc([O-])c2F)c1 ZINC001250615066 805726467 /nfs/dbraw/zinc/72/64/67/805726467.db2.gz NQGWBANBZZXGIG-UHFFFAOYSA-N -1 3 266.243 3.355 20 0 CGADHM COc1ccc2nc(-c3cc(F)ccc3[O-])n(C)c2c1 ZINC001250837532 805786490 /nfs/dbraw/zinc/78/64/90/805786490.db2.gz HAAISDJDCNTHLQ-UHFFFAOYSA-N -1 3 272.279 3.094 20 0 CGADHM [O-]c1cnccc1-c1nc2cc(C(F)F)ccc2[nH]1 ZINC001250857031 805788221 /nfs/dbraw/zinc/78/82/21/805788221.db2.gz BDSXQBLQJPJUCO-UHFFFAOYSA-N -1 3 261.231 3.268 20 0 CGADHM [O-]c1cnccc1-c1nc2ccc(C(F)F)cc2[nH]1 ZINC001250857031 805788228 /nfs/dbraw/zinc/78/82/28/805788228.db2.gz BDSXQBLQJPJUCO-UHFFFAOYSA-N -1 3 261.231 3.268 20 0 CGADHM CCOc1cc2nc(-c3ccncc3[O-])[nH]c2cc1OCC ZINC001250858316 805789502 /nfs/dbraw/zinc/78/95/02/805789502.db2.gz VLSGNNHWEDLKBW-UHFFFAOYSA-N -1 3 299.330 3.128 20 0 CGADHM [O-]c1cnccc1-c1nc2c(cc(Cl)c(F)c2F)[nH]1 ZINC001250857613 805789554 /nfs/dbraw/zinc/78/95/54/805789554.db2.gz GRCIZIDJTBQUJP-UHFFFAOYSA-N -1 3 281.649 3.262 20 0 CGADHM CN(C)c1ccc2nc(-c3cc(F)c([O-])c(F)c3)[nH]c2c1 ZINC001250925038 805800134 /nfs/dbraw/zinc/80/01/34/805800134.db2.gz RWSTWTSXMJWFSP-UHFFFAOYSA-N -1 3 289.285 3.280 20 0 CGADHM C=Cc1cccc([N-]S(=O)(=O)c2ccc(OC)cc2)c1 ZINC001251934074 805954176 /nfs/dbraw/zinc/95/41/76/805954176.db2.gz MVEBZFGPMOVRQU-UHFFFAOYSA-N -1 3 289.356 3.139 20 0 CGADHM [O-]c1cccnc1CNc1cc(-c2ccccc2)ccn1 ZINC001158770740 806002117 /nfs/dbraw/zinc/00/21/17/806002117.db2.gz KBVJKPZTJHRPCN-UHFFFAOYSA-N -1 3 277.327 3.461 20 0 CGADHM Cc1nc(C2CC2)nc(Cl)c1NCc1ncccc1[O-] ZINC001158774967 806002499 /nfs/dbraw/zinc/00/24/99/806002499.db2.gz ZBNAHVJVULTESF-UHFFFAOYSA-N -1 3 290.754 3.029 20 0 CGADHM COc1cccc(-c2nnc(Cc3ccccc3)o2)c1[O-] ZINC001253488899 806227158 /nfs/dbraw/zinc/22/71/58/806227158.db2.gz FBWLLWMZGYUBMZ-UHFFFAOYSA-N -1 3 282.299 3.042 20 0 CGADHM Cc1cccc(-c2nnc(-c3c([O-])cccc3O)o2)c1 ZINC001253619921 806273361 /nfs/dbraw/zinc/27/33/61/806273361.db2.gz DYLSYWHRDBTPOF-UHFFFAOYSA-N -1 3 268.272 3.123 20 0 CGADHM CCOC(=O)c1[n-]c2ccccc2c1-c1nnc(C2CC2)o1 ZINC001254054201 806334335 /nfs/dbraw/zinc/33/43/35/806334335.db2.gz JKFJAYLHYGKGPE-UHFFFAOYSA-N -1 3 297.314 3.272 20 0 CGADHM Brc1ccc2c(c1)C[C@H](NC1=CC=C[CH]1)C2 ZINC001254273848 806379088 /nfs/dbraw/zinc/37/90/88/806379088.db2.gz QZBQMMWNCLFEPQ-CQSZACIVSA-N -1 3 275.169 3.164 20 0 CGADHM FC(F)(F)CCNc1cc(C(F)(F)F)[n-]c(=S)n1 ZINC001161823214 806464306 /nfs/dbraw/zinc/46/43/06/806464306.db2.gz MSTQYJKGRPSVSM-UHFFFAOYSA-N -1 3 291.220 3.148 20 0 CGADHM Clc1cc(-c2nnc([C@H]3C[C@@H]3c3ccccc3)o2)[n-]n1 ZINC001254651550 806474259 /nfs/dbraw/zinc/47/42/59/806474259.db2.gz FANMUUSMZKYUJJ-ZJUUUORDSA-N -1 3 286.722 3.384 20 0 CGADHM Cc1ccc([O-])c(-c2nnc([C@@H]3C[C@@H]3c3ccccc3)o2)n1 ZINC001254653447 806475539 /nfs/dbraw/zinc/47/55/39/806475539.db2.gz MPKZOURSQTUORL-CHWSQXEVSA-N -1 3 293.326 3.417 20 0 CGADHM Cc1ccc(CNc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000037312910 798865479 /nfs/dbraw/zinc/86/54/79/798865479.db2.gz CCGJTXVJYNOQHE-UHFFFAOYSA-N -1 3 279.347 3.096 20 0 CGADHM Cc1ccc(CNc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000037312910 798865485 /nfs/dbraw/zinc/86/54/85/798865485.db2.gz CCGJTXVJYNOQHE-UHFFFAOYSA-N -1 3 279.347 3.096 20 0 CGADHM C[C@H]1CCC[C@H](C)N1Cc1cc(F)c([O-])c(F)c1 ZINC000131837528 799029752 /nfs/dbraw/zinc/02/97/52/799029752.db2.gz TYLHFMCOKDIQFI-UWVGGRQHSA-N -1 3 255.308 3.433 20 0 CGADHM CC1(C)CCC(CNC(=O)c2c([O-])cccc2O)CC1 ZINC000312856855 799229664 /nfs/dbraw/zinc/22/96/64/799229664.db2.gz WXOMKPCOWYRJGT-UHFFFAOYSA-N -1 3 277.364 3.044 20 0 CGADHM Cn1c(-c2ccc([O-])cc2F)nc2cccc(F)c21 ZINC000394206698 799495577 /nfs/dbraw/zinc/49/55/77/799495577.db2.gz ZAMFUMYZXFMIBR-UHFFFAOYSA-N -1 3 260.243 3.224 20 0 CGADHM COc1cccc([O-])c1C(=O)N1CCC2(C1)CCCCC2 ZINC000405391183 799584144 /nfs/dbraw/zinc/58/41/44/799584144.db2.gz GMTKBLQEBAXCBQ-UHFFFAOYSA-N -1 3 289.375 3.197 20 0 CGADHM CO[C@@H]1CC[C@@H](C)N(Cc2cccc([O-])c2Cl)C1 ZINC000687212552 799736979 /nfs/dbraw/zinc/73/69/79/799736979.db2.gz KJVYTKXLVTYOQI-ZYHUDNBSSA-N -1 3 269.772 3.045 20 0 CGADHM O=C(NCCC1CCC1)c1cc([O-])cc(Br)c1 ZINC000700802729 799880693 /nfs/dbraw/zinc/88/06/93/799880693.db2.gz ODBNDNQMZJJKGH-UHFFFAOYSA-N -1 3 298.180 3.075 20 0 CGADHM O=C([O-])c1ccc(CN[C@@H]2CCCc3occc32)s1 ZINC000706255750 799960711 /nfs/dbraw/zinc/96/07/11/799960711.db2.gz VOAOVDQKLRKXRE-LLVKDONJSA-N -1 3 277.345 3.207 20 0 CGADHM Cc1cccnc1-c1noc(-c2c(C)cccc2[O-])n1 ZINC000706649717 799964280 /nfs/dbraw/zinc/96/42/80/799964280.db2.gz UUPTZGPZDDFLDX-UHFFFAOYSA-N -1 3 267.288 3.121 20 0 CGADHM Cc1cccc(-c2noc(-c3c(C)cccc3[O-])n2)n1 ZINC000706649165 799964408 /nfs/dbraw/zinc/96/44/08/799964408.db2.gz GMLJTSXQDQJDNM-UHFFFAOYSA-N -1 3 267.288 3.121 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1C[C@@H](C)c2ccccc21 ZINC000706629116 799964792 /nfs/dbraw/zinc/96/47/92/799964792.db2.gz IAEAXTDQVADQKU-GFCCVEGCSA-N -1 3 267.328 3.465 20 0 CGADHM Cc1cc(C)cc(CNC(=O)c2c(C)cccc2[O-])c1 ZINC000706637273 799964821 /nfs/dbraw/zinc/96/48/21/799964821.db2.gz OHNHHHUOMIAGHD-UHFFFAOYSA-N -1 3 269.344 3.247 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CC[C@](C)(C(F)(F)F)C1 ZINC000709363264 800007509 /nfs/dbraw/zinc/00/75/09/800007509.db2.gz IEQUSVZTMCOTTA-ZDUSSCGKSA-N -1 3 287.281 3.115 20 0 CGADHM O=S(=O)([N-]c1cccc(C2CC2)c1)c1ccc(O)cc1 ZINC000709697818 800014611 /nfs/dbraw/zinc/01/46/11/800014611.db2.gz SYDDSAAUHIJLMP-UHFFFAOYSA-N -1 3 289.356 3.070 20 0 CGADHM O=S(=O)(Nc1cccc(C2CC2)c1)c1ccc([O-])cc1 ZINC000709697818 800014617 /nfs/dbraw/zinc/01/46/17/800014617.db2.gz SYDDSAAUHIJLMP-UHFFFAOYSA-N -1 3 289.356 3.070 20 0 CGADHM CCC(C)(C)c1noc(-c2cccc(OC)c2[O-])n1 ZINC000710832058 800040237 /nfs/dbraw/zinc/04/02/37/800040237.db2.gz GLSLUHNPOBBTTP-UHFFFAOYSA-N -1 3 262.309 3.138 20 0 CGADHM C[C@@H](N[C@@H](C)CC1CCCC1)c1ncc(C(=O)[O-])s1 ZINC000712524351 800092190 /nfs/dbraw/zinc/09/21/90/800092190.db2.gz RMBYAASDRZUDHF-VHSXEESVSA-N -1 3 282.409 3.461 20 0 CGADHM CSCC1CCN([C@H](C)c2ccc(C(=O)[O-])o2)CC1 ZINC000719246664 800233844 /nfs/dbraw/zinc/23/38/44/800233844.db2.gz MAFLYSYHWOZNDS-SNVBAGLBSA-N -1 3 283.393 3.114 20 0 CGADHM CCCCCCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC001256391528 806880346 /nfs/dbraw/zinc/88/03/46/806880346.db2.gz QLGSEQIFULMNGM-UHFFFAOYSA-N -1 3 298.350 3.040 20 0 CGADHM CCCCCCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC001256391528 806880353 /nfs/dbraw/zinc/88/03/53/806880353.db2.gz QLGSEQIFULMNGM-UHFFFAOYSA-N -1 3 298.350 3.040 20 0 CGADHM CC(C)Cc1nnc(-c2cc(O)c3ccccc3c2[O-])o1 ZINC001256412106 806889296 /nfs/dbraw/zinc/88/92/96/806889296.db2.gz CTLNSKZVTRXGSJ-UHFFFAOYSA-N -1 3 284.315 3.500 20 0 CGADHM Cc1ccc(-c2nnc(-c3ccc(F)c(=O)[n-]3)o2)cc1C ZINC001256590380 806922188 /nfs/dbraw/zinc/92/21/88/806922188.db2.gz AGTWSOMHQNXMAZ-UHFFFAOYSA-N -1 3 285.278 3.260 20 0 CGADHM Cc1csc2ccc(NCCCc3c[n-][nH]c3=O)cc12 ZINC001164375919 806943497 /nfs/dbraw/zinc/94/34/97/806943497.db2.gz XORIRLFZUIZXJK-NSHDSACASA-N -1 3 287.388 3.134 20 0 CGADHM Cc1cc(NCCCc2c[n-][nH]c2=O)cc(C(C)(C)C)c1 ZINC001164396649 806944505 /nfs/dbraw/zinc/94/45/05/806944505.db2.gz SZXQXFAFVCUMQZ-CYBMUJFWSA-N -1 3 287.407 3.216 20 0 CGADHM C[C@H]1C[C@@H]1c1nnc(-c2cc([O-])cc(Br)c2)o1 ZINC001256747405 806970994 /nfs/dbraw/zinc/97/09/94/806970994.db2.gz LNXQAWLDINKXSK-WKEGUHRASA-N -1 3 295.136 3.328 20 0 CGADHM CCc1ccc(C(=O)N2CC(c3ccc(F)cc3)C2)c([O-])c1 ZINC001117807392 802501259 /nfs/dbraw/zinc/50/12/59/802501259.db2.gz OLSAOSLBWXETES-UHFFFAOYSA-N -1 3 299.345 3.333 20 0 CGADHM CC(C)c1cnc(CN[C@H](C)[C@@H](C(=O)[O-])C(C)C)s1 ZINC001118091340 802524825 /nfs/dbraw/zinc/52/48/25/802524825.db2.gz WNNCCXSVEDQXGI-MFKMUULPSA-N -1 3 284.425 3.101 20 0 CGADHM O=C(Nc1cccc([O-])c1F)[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001118750499 802597275 /nfs/dbraw/zinc/59/72/75/802597275.db2.gz DHSCTQPPIBCCNL-HLTSFMKQSA-N -1 3 285.265 3.151 20 0 CGADHM O=C([O-])[C@H](CC1CC1)NCc1cc(Cl)sc1Cl ZINC001119001041 802626635 /nfs/dbraw/zinc/62/66/35/802626635.db2.gz MLNXULMQZXAQPM-QMMMGPOBSA-N -1 3 294.203 3.398 20 0 CGADHM CC(C)C[C@@](C)(CNCc1ncc(Cl)s1)C(=O)[O-] ZINC001120000732 802723232 /nfs/dbraw/zinc/72/32/32/802723232.db2.gz CJCOXMFVCRCXMR-LBPRGKRZSA-N -1 3 290.816 3.023 20 0 CGADHM Cc1cnc(C(C)(C)NCc2ccc([O-])c(F)c2)s1 ZINC001120035158 802727265 /nfs/dbraw/zinc/72/72/65/802727265.db2.gz QQAOCYCYCKWFNC-UHFFFAOYSA-N -1 3 280.368 3.321 20 0 CGADHM Cc1ccc(C(=O)Nc2cnoc2C(C)C)c([O-])c1 ZINC001120690500 802762199 /nfs/dbraw/zinc/76/21/99/802762199.db2.gz ADRVSKWWZXKUEH-UHFFFAOYSA-N -1 3 260.293 3.064 20 0 CGADHM O=C1Cc2cc(F)c(-c3c([O-])cccc3Cl)cc2N1 ZINC001244048734 803160397 /nfs/dbraw/zinc/16/03/97/803160397.db2.gz RZRJAFRYVSVQFY-UHFFFAOYSA-N -1 3 277.682 3.346 20 0 CGADHM COc1c(C)cc(C)cc1-c1ccc(C)c(-c2nnn[n-]2)c1 ZINC001244118752 803196772 /nfs/dbraw/zinc/19/67/72/803196772.db2.gz LJBZXSYEHFBAOC-UHFFFAOYSA-N -1 3 294.358 3.468 20 0 CGADHM COc1c(C)cc(C)cc1-c1ccc(C)c(-c2nn[n-]n2)c1 ZINC001244118752 803196777 /nfs/dbraw/zinc/19/67/77/803196777.db2.gz LJBZXSYEHFBAOC-UHFFFAOYSA-N -1 3 294.358 3.468 20 0 CGADHM Cc1cc2cc(-c3ccc(Cc4nnn[n-]4)cc3)ccc2[nH]1 ZINC001244243592 803260719 /nfs/dbraw/zinc/26/07/19/803260719.db2.gz KFUSSDNQZKVSDU-UHFFFAOYSA-N -1 3 289.342 3.247 20 0 CGADHM Cc1cc2cc(-c3ccc(Cc4nn[n-]n4)cc3)ccc2[nH]1 ZINC001244243592 803260723 /nfs/dbraw/zinc/26/07/23/803260723.db2.gz KFUSSDNQZKVSDU-UHFFFAOYSA-N -1 3 289.342 3.247 20 0 CGADHM CN(C)c1ccc(-c2ccc(=S)[n-]n2)cc1Cl ZINC001244411797 803358634 /nfs/dbraw/zinc/35/86/34/803358634.db2.gz UJZOYTSJZGVBKY-UHFFFAOYSA-N -1 3 265.769 3.152 20 0 CGADHM Cc1ncc(-c2cc(OC(F)(F)F)ccc2[O-])nc1C ZINC001244455408 803377342 /nfs/dbraw/zinc/37/73/42/803377342.db2.gz GWODOZMTVRNENS-UHFFFAOYSA-N -1 3 284.237 3.365 20 0 CGADHM [O-]c1ccc(OC(F)(F)F)cc1-c1cnc2[nH]ccc2n1 ZINC001244456391 803379085 /nfs/dbraw/zinc/37/90/85/803379085.db2.gz QEVBCCVSOYNGSO-UHFFFAOYSA-N -1 3 295.220 3.229 20 0 CGADHM COC(=O)Cc1cccc(-c2ccc(Cl)cc2[O-])c1 ZINC001244469392 803385561 /nfs/dbraw/zinc/38/55/61/803385561.db2.gz JUDWXFJIHHZZDK-UHFFFAOYSA-N -1 3 276.719 3.428 20 0 CGADHM [O-]c1cc(Cl)ccc1-c1cnc2nccnc2c1 ZINC001244469544 803386384 /nfs/dbraw/zinc/38/63/84/803386384.db2.gz MIHHXVBFNSLABN-UHFFFAOYSA-N -1 3 257.680 3.051 20 0 CGADHM COC(=O)c1cc(F)ncc1-c1ccc(Cl)cc1[O-] ZINC001244474129 803390139 /nfs/dbraw/zinc/39/01/39/803390139.db2.gz WSAXHQLIDZBYJU-UHFFFAOYSA-N -1 3 281.670 3.033 20 0 CGADHM Cc1cc(-c2ccnc(N3CCCCC3)n2)cc([O-])c1F ZINC001244506011 803409824 /nfs/dbraw/zinc/40/98/24/803409824.db2.gz ABNYSUSGPPMZID-UHFFFAOYSA-N -1 3 287.338 3.287 20 0 CGADHM CCN(CC)c1cncc(-c2cc(C)c(F)c([O-])c2)n1 ZINC001244507524 803411342 /nfs/dbraw/zinc/41/13/42/803411342.db2.gz OJVDDKQPWRJWMN-UHFFFAOYSA-N -1 3 275.327 3.143 20 0 CGADHM CCNC(=O)c1ccccc1-c1cc(C)c(F)c([O-])c1 ZINC001244517133 803413440 /nfs/dbraw/zinc/41/34/40/803413440.db2.gz IRZVDTOUEWCLQW-UHFFFAOYSA-N -1 3 273.307 3.256 20 0 CGADHM Cc1cc(-c2cnc3[nH]ccc3c2F)cc([O-])c1F ZINC001244516256 803413455 /nfs/dbraw/zinc/41/34/55/803413455.db2.gz QKKAIDMZECAFFJ-UHFFFAOYSA-N -1 3 260.243 3.474 20 0 CGADHM Cc1cc(-c2cccc3ncncc32)cc([O-])c1F ZINC001244518126 803413461 /nfs/dbraw/zinc/41/34/61/803413461.db2.gz QUJZLFYSJRZCPH-UHFFFAOYSA-N -1 3 254.264 3.450 20 0 CGADHM COc1cc(-c2cc(C)c(F)c([O-])c2)cnc1F ZINC001244521375 803415004 /nfs/dbraw/zinc/41/50/04/803415004.db2.gz SCBRXAPAVCLSLU-UHFFFAOYSA-N -1 3 251.232 3.049 20 0 CGADHM Cc1cc(-c2ccc3c(c2)COC3=O)cc([O-])c1F ZINC001244519272 803415045 /nfs/dbraw/zinc/41/50/45/803415045.db2.gz YGBHYZLGPNXFKD-UHFFFAOYSA-N -1 3 258.248 3.177 20 0 CGADHM Cc1cc(-c2ccc(S(C)(=O)=O)c(F)c2)cc([O-])c1F ZINC001244521611 803415079 /nfs/dbraw/zinc/41/50/79/803415079.db2.gz WATWUFOARAJICE-UHFFFAOYSA-N -1 3 298.310 3.049 20 0 CGADHM Cc1cc(-c2nc3cc[nH]c3nc2C)cc([O-])c1F ZINC001244520853 803415132 /nfs/dbraw/zinc/41/51/32/803415132.db2.gz MWNMHGTUDAUMHP-UHFFFAOYSA-N -1 3 257.268 3.086 20 0 CGADHM CCOC(=O)c1cc(-c2cc(C)c(F)c([O-])c2)cnc1F ZINC001244524871 803417429 /nfs/dbraw/zinc/41/74/29/803417429.db2.gz ICNGUOFWIIVUOX-UHFFFAOYSA-N -1 3 293.269 3.218 20 0 CGADHM CCOC(=O)c1ccc(-c2cc(C)c(F)c([O-])c2)c(C)n1 ZINC001244525289 803419127 /nfs/dbraw/zinc/41/91/27/803419127.db2.gz OFOBHKWUWTWHGN-UHFFFAOYSA-N -1 3 289.306 3.387 20 0 CGADHM Cc1cc(-c2ccc3nccc(=O)n3c2)cc(Cl)c1[O-] ZINC001244548177 803432813 /nfs/dbraw/zinc/43/28/13/803432813.db2.gz VRBIZGKDYXNUPT-UHFFFAOYSA-N -1 3 286.718 3.029 20 0 CGADHM COc1cc(-c2ccc(=S)[n-]n2)ccc1C1CC1 ZINC001244887677 803563358 /nfs/dbraw/zinc/56/33/58/803563358.db2.gz XPMLAZQWYOQUQG-UHFFFAOYSA-N -1 3 258.346 3.318 20 0 CGADHM COc1cc(-c2ccccc2-c2nnn[n-]2)ccc1C1CC1 ZINC001244890337 803564301 /nfs/dbraw/zinc/56/43/01/803564301.db2.gz ZFGCJEGSDRXTAK-UHFFFAOYSA-N -1 3 292.342 3.420 20 0 CGADHM COc1cc(-c2ccccc2-c2nn[n-]n2)ccc1C1CC1 ZINC001244890337 803564305 /nfs/dbraw/zinc/56/43/05/803564305.db2.gz ZFGCJEGSDRXTAK-UHFFFAOYSA-N -1 3 292.342 3.420 20 0 CGADHM COCOc1cncc(-c2cc(Cl)ccc2[O-])c1 ZINC001245053253 803624017 /nfs/dbraw/zinc/62/40/17/803624017.db2.gz ZZGZIXQAVKDMKA-UHFFFAOYSA-N -1 3 265.696 3.090 20 0 CGADHM O=c1c(-c2cc(Cl)ccc2[O-])cccn1-c1cccnc1 ZINC001245052152 803624048 /nfs/dbraw/zinc/62/40/48/803624048.db2.gz CVGHFQIDVSYYHD-UHFFFAOYSA-N -1 3 298.729 3.259 20 0 CGADHM COC(=O)c1c(F)cncc1-c1cc(Cl)ccc1[O-] ZINC001245052691 803624279 /nfs/dbraw/zinc/62/42/79/803624279.db2.gz ROWDLWYMBLKLPM-UHFFFAOYSA-N -1 3 281.670 3.033 20 0 CGADHM [O-]c1ccc(Cl)cc1-c1cnc(OC2CCC2)nc1 ZINC001245052522 803624285 /nfs/dbraw/zinc/62/42/85/803624285.db2.gz JELSNEAFHPORJS-UHFFFAOYSA-N -1 3 276.723 3.434 20 0 CGADHM [O-]c1ccc(-c2cc3c(nn2)CCCC3)c(Cl)c1 ZINC001245078313 803633842 /nfs/dbraw/zinc/63/38/42/803633842.db2.gz DKTPDQLHPXIIDI-UHFFFAOYSA-N -1 3 260.724 3.381 20 0 CGADHM [O-]c1ccc(-c2nnc3ccccc3n2)c(Cl)c1 ZINC001245079630 803634986 /nfs/dbraw/zinc/63/49/86/803634986.db2.gz SVBXEURXRDEIJG-UHFFFAOYSA-N -1 3 257.680 3.051 20 0 CGADHM COC(=O)c1ccc(C)nc1-c1ccc([O-])cc1Cl ZINC001245081764 803636367 /nfs/dbraw/zinc/63/63/67/803636367.db2.gz LVYMQGMKUVYQAW-UHFFFAOYSA-N -1 3 277.707 3.203 20 0 CGADHM COC(=O)c1c(C)ccnc1-c1ccc([O-])cc1Cl ZINC001245081734 803636408 /nfs/dbraw/zinc/63/64/08/803636408.db2.gz LFIKFQYEERYJSZ-UHFFFAOYSA-N -1 3 277.707 3.203 20 0 CGADHM COC(=O)c1cnc(-c2ccc([O-])cc2Cl)c(C)c1 ZINC001245082441 803637106 /nfs/dbraw/zinc/63/71/06/803637106.db2.gz VYWIZEYVSGPMNJ-UHFFFAOYSA-N -1 3 277.707 3.203 20 0 CGADHM COc1cc(-c2ccc([O-])cc2Cl)c(F)cn1 ZINC001245082490 803637143 /nfs/dbraw/zinc/63/71/43/803637143.db2.gz VZGQTVNOAGSJTL-UHFFFAOYSA-N -1 3 253.660 3.255 20 0 CGADHM CCOC(=O)c1cccc(-c2ccc([O-])cc2Cl)n1 ZINC001245082540 803637530 /nfs/dbraw/zinc/63/75/30/803637530.db2.gz WLZSNXIWXXZQFZ-UHFFFAOYSA-N -1 3 277.707 3.284 20 0 CGADHM COc1cccc(C(=O)N2CCCc3c(C)cccc32)c1[O-] ZINC001136759106 803651538 /nfs/dbraw/zinc/65/15/38/803651538.db2.gz VNURKUKXYDSANZ-UHFFFAOYSA-N -1 3 297.354 3.302 20 0 CGADHM COc1c(-c2ccc(=S)[n-]n2)cccc1C(F)(F)F ZINC001245276884 803688808 /nfs/dbraw/zinc/68/88/08/803688808.db2.gz WWPZJMNUJBFYEF-UHFFFAOYSA-N -1 3 286.278 3.460 20 0 CGADHM [S-]c1ccccc1C1=CC[C@H](N2CCOCC2)CC1 ZINC001245427782 803734834 /nfs/dbraw/zinc/73/48/34/803734834.db2.gz YHLOVFHZTVDWPW-AWEZNQCLSA-N -1 3 275.417 3.243 20 0 CGADHM Cc1cccn2cc(C(=O)Nc3cccc([O-])c3F)cc12 ZINC001137581873 803740976 /nfs/dbraw/zinc/74/09/76/803740976.db2.gz GFWQPOKFXHVOGS-UHFFFAOYSA-N -1 3 284.290 3.345 20 0 CGADHM [O-]c1ccc(Nc2ccc(CO)cc2F)c(F)c1F ZINC001212009791 814966561 /nfs/dbraw/zinc/96/65/61/814966561.db2.gz UXPCSWJAADJMJL-UHFFFAOYSA-N -1 3 269.222 3.045 20 0 CGADHM [O-]c1ccc(Nc2cccc3c2CCO3)c(F)c1F ZINC001212011085 814966584 /nfs/dbraw/zinc/96/65/84/814966584.db2.gz QLSPRVPHBYYKLC-UHFFFAOYSA-N -1 3 263.243 3.349 20 0 CGADHM CCNC(=O)c1ccccc1Nc1ccc([O-])c(F)c1F ZINC001212009899 814966985 /nfs/dbraw/zinc/96/69/85/814966985.db2.gz XOZRPTYMDPYBNA-UHFFFAOYSA-N -1 3 292.285 3.164 20 0 CGADHM O=c1[nH]cnc2ccc(Nc3ccc([O-])c(F)c3F)cc12 ZINC001212009905 814967006 /nfs/dbraw/zinc/96/70/06/814967006.db2.gz YFDWFJUTDOPTTO-UHFFFAOYSA-N -1 3 289.241 3.063 20 0 CGADHM O=C1CCCCc2ccc(-c3ccc(=S)[n-]n3)cc21 ZINC001245597502 803843704 /nfs/dbraw/zinc/84/37/04/803843704.db2.gz MACQOLHPGGSCPB-UHFFFAOYSA-N -1 3 270.357 3.341 20 0 CGADHM S=c1ccc(-c2ccc(-c3ncco3)cc2)n[n-]1 ZINC001245617432 803859048 /nfs/dbraw/zinc/85/90/48/803859048.db2.gz FGUYNWJNWYCNAX-UHFFFAOYSA-N -1 3 255.302 3.087 20 0 CGADHM [O-]c1cccc(F)c1-c1cccc(C2OCCO2)c1 ZINC001245654569 803887141 /nfs/dbraw/zinc/88/71/41/803887141.db2.gz UOHUJJGRQNTDFO-UHFFFAOYSA-N -1 3 260.264 3.244 20 0 CGADHM COC(=O)c1c(F)cc(C)cc1-c1c([O-])cccc1F ZINC001245657567 803892407 /nfs/dbraw/zinc/89/24/07/803892407.db2.gz OPTDKPSSJWHFII-UHFFFAOYSA-N -1 3 278.254 3.432 20 0 CGADHM COc1cc(C)c(-c2ccc(C)c(-c3nnn[n-]3)c2)c(C)c1 ZINC001245682782 803909158 /nfs/dbraw/zinc/90/91/58/803909158.db2.gz ONECXRAIGXNASQ-UHFFFAOYSA-N -1 3 294.358 3.468 20 0 CGADHM COc1cc(C)c(-c2ccc(C)c(-c3nn[n-]n3)c2)c(C)c1 ZINC001245682782 803909164 /nfs/dbraw/zinc/90/91/64/803909164.db2.gz ONECXRAIGXNASQ-UHFFFAOYSA-N -1 3 294.358 3.468 20 0 CGADHM CNc1ccc(Cl)c(C(=O)Nc2nc(C)ccc2[O-])c1 ZINC001139460440 804190560 /nfs/dbraw/zinc/19/05/60/804190560.db2.gz AALACDMPYJECJY-UHFFFAOYSA-N -1 3 291.738 3.043 20 0 CGADHM Cc1ccc2c(c1)CCN(Cc1ccccc1C(=O)[O-])C2 ZINC001140504155 804449108 /nfs/dbraw/zinc/44/91/08/804449108.db2.gz JEUBXUWGJHHAPY-UHFFFAOYSA-N -1 3 281.355 3.252 20 0 CGADHM COc1cccc([O-])c1C(=O)NCCCC1CCCCC1 ZINC001141610112 804657633 /nfs/dbraw/zinc/65/76/33/804657633.db2.gz CYPMLGUJCFYQSS-UHFFFAOYSA-N -1 3 291.391 3.491 20 0 CGADHM [O-]c1c(F)cc(F)cc1Nc1nnccc1C(F)(F)F ZINC001212483951 815035861 /nfs/dbraw/zinc/03/58/61/815035861.db2.gz AIZLRXKPQVJWIN-UHFFFAOYSA-N -1 3 291.179 3.223 20 0 CGADHM CO[C@@H](C)C1CN(Cc2c(Cl)cc([O-])cc2Cl)C1 ZINC001142118617 804696201 /nfs/dbraw/zinc/69/62/01/804696201.db2.gz SZCROKZFSMETIR-QMMMGPOBSA-N -1 3 290.190 3.166 20 0 CGADHM [O-]c1cc(Cl)c(CN2CCOCC23CC3)c(Cl)c1 ZINC001142118518 804696916 /nfs/dbraw/zinc/69/69/16/804696916.db2.gz OOMUKSXPEUKLKB-UHFFFAOYSA-N -1 3 288.174 3.064 20 0 CGADHM O=C([O-])c1cc(Cl)ccc1CN1CCCC12CC2 ZINC001142643205 804746580 /nfs/dbraw/zinc/74/65/80/804746580.db2.gz KYQWWJFWIUDIKF-UHFFFAOYSA-N -1 3 265.740 3.167 20 0 CGADHM [O-]c1c(F)cc(F)cc1Nc1cc(Cl)nc2ccnn21 ZINC001212484055 815037766 /nfs/dbraw/zinc/03/77/66/815037766.db2.gz HOZPOGKQLMUGCP-UHFFFAOYSA-N -1 3 296.664 3.110 20 0 CGADHM Cc1ccc(C(=O)N(C)c2ccsc2)c([O-])c1C ZINC001143919466 804907085 /nfs/dbraw/zinc/90/70/85/804907085.db2.gz CMWAZOHSXCPZNC-UHFFFAOYSA-N -1 3 261.346 3.347 20 0 CGADHM CCCC(C)(C)C(=O)Nc1c([O-])cccc1C(C)=O ZINC001144122800 804939763 /nfs/dbraw/zinc/93/97/63/804939763.db2.gz JADYCQCNCYWCGT-UHFFFAOYSA-N -1 3 263.337 3.360 20 0 CGADHM CC(C)N(CCCCCO)Cc1c(F)cc([O-])cc1F ZINC001144561329 805005985 /nfs/dbraw/zinc/00/59/85/805005985.db2.gz HBPFATQDBVNAOU-UHFFFAOYSA-N -1 3 287.350 3.043 20 0 CGADHM C[C@H]1CCCC[C@H]1CCNC(=O)c1ccccc1[O-] ZINC001146712414 805081822 /nfs/dbraw/zinc/08/18/22/805081822.db2.gz VNZGSKRFKLHHQO-STQMWFEESA-N -1 3 261.365 3.338 20 0 CGADHM COc1cccc([O-])c1C(=O)NCC[C@@H]1CCCC[C@@H]1C ZINC001146712313 805082892 /nfs/dbraw/zinc/08/28/92/805082892.db2.gz UQZISRPQTHLCIA-STQMWFEESA-N -1 3 291.391 3.347 20 0 CGADHM Cc1ccc(C(=O)Nc2cc(-c3ccncc3)no2)c([O-])c1 ZINC001148491796 805187794 /nfs/dbraw/zinc/18/77/94/805187794.db2.gz BEJNFFWOQIVARM-UHFFFAOYSA-N -1 3 295.298 3.003 20 0 CGADHM Cc1ccc(C(=O)Nc2cc(C)nc3[nH]ccc32)c([O-])c1 ZINC001148492494 805188527 /nfs/dbraw/zinc/18/85/27/805188527.db2.gz MNCBUIYKLOTDHJ-UHFFFAOYSA-N -1 3 281.315 3.089 20 0 CGADHM COc1cc(Cl)ncc1NC(=O)c1ccc(C)cc1[O-] ZINC001148491822 805188544 /nfs/dbraw/zinc/18/85/44/805188544.db2.gz CUVDDNXBRHMGQY-UHFFFAOYSA-N -1 3 292.722 3.010 20 0 CGADHM CCc1nccc(C)c1NC(=O)c1ccc(C)cc1[O-] ZINC001148498853 805190139 /nfs/dbraw/zinc/19/01/39/805190139.db2.gz NTUQQOUESKJNPQ-UHFFFAOYSA-N -1 3 270.332 3.219 20 0 CGADHM Cc1ccc(C(=O)NCc2sccc2Cl)c([O-])c1 ZINC001148507008 805191301 /nfs/dbraw/zinc/19/13/01/805191301.db2.gz KKNHYPAPNJVTKW-UHFFFAOYSA-N -1 3 281.764 3.346 20 0 CGADHM C=Cc1ccc(CNC(=O)c2ccc(C)cc2[O-])cc1 ZINC001148506182 805191661 /nfs/dbraw/zinc/19/16/61/805191661.db2.gz UVJFTRFKDWMHHM-UHFFFAOYSA-N -1 3 267.328 3.274 20 0 CGADHM CC(=O)c1cc(C(=O)Nc2cc(C)cs2)ccc1[O-] ZINC001148656513 805203860 /nfs/dbraw/zinc/20/38/60/805203860.db2.gz VROOXJSMIOHSSO-UHFFFAOYSA-N -1 3 275.329 3.217 20 0 CGADHM CC(=O)c1cc(C(=O)Nc2ccc(O)c(C)c2C)ccc1[O-] ZINC001148663638 805204466 /nfs/dbraw/zinc/20/44/66/805204466.db2.gz AVLCALKDYUSXOK-UHFFFAOYSA-N -1 3 299.326 3.170 20 0 CGADHM CC(C)[C@@H]1CCCN1Cc1ccc(F)c(C(=O)[O-])c1F ZINC001249780594 805243563 /nfs/dbraw/zinc/24/35/63/805243563.db2.gz XMVFFAZPVMCJTE-LBPRGKRZSA-N -1 3 283.318 3.283 20 0 CGADHM COc1ccc(NC(=O)c2ccc(C)c(C)c2[O-])c(F)c1 ZINC001151648915 805304702 /nfs/dbraw/zinc/30/47/02/805304702.db2.gz XFCDOSFBJFVKJO-UHFFFAOYSA-N -1 3 289.306 3.409 20 0 CGADHM [O-]c1ccc(-c2nc(-c3ccnc4ccccc43)no2)nc1 ZINC001212558865 815069166 /nfs/dbraw/zinc/06/91/66/815069166.db2.gz JNGITIXKGSZFDE-UHFFFAOYSA-N -1 3 290.282 3.052 20 0 CGADHM Nc1cn(-c2cc(Cl)c([O-])cc2F)c2cccnc12 ZINC001250019806 805369889 /nfs/dbraw/zinc/36/98/89/805369889.db2.gz GPYUMYFAARAZIS-UHFFFAOYSA-N -1 3 277.686 3.106 20 0 CGADHM C[C@@H]1CCN(C(=O)c2cc3sccc3c([O-])c2)C[C@H]1F ZINC001152922109 805374164 /nfs/dbraw/zinc/37/41/64/805374164.db2.gz LGWCXASWRNVHGP-BXKDBHETSA-N -1 3 293.363 3.427 20 0 CGADHM Nc1ccc2ncn(-c3cc(Cl)c([O-])cc3F)c2c1 ZINC001250023998 805375099 /nfs/dbraw/zinc/37/50/99/805375099.db2.gz LXTAMUPRQKHWIR-UHFFFAOYSA-N -1 3 277.686 3.106 20 0 CGADHM O=C(CCc1cccc(F)c1[O-])c1ccc(F)cc1 ZINC001250027756 805377460 /nfs/dbraw/zinc/37/74/60/805377460.db2.gz CCIKRCONFFDYDM-UHFFFAOYSA-N -1 3 262.255 3.486 20 0 CGADHM O=C(Nc1cc([O-])cc(Cl)c1)c1cc2ncccc2o1 ZINC001153701953 805411344 /nfs/dbraw/zinc/41/13/44/805411344.db2.gz SCWVCIVOGSKEEO-UHFFFAOYSA-N -1 3 288.690 3.439 20 0 CGADHM c1ccc2nc(Cc3ccc(-c4nnn[n-]4)cc3)ccc2c1 ZINC001250118889 805427081 /nfs/dbraw/zinc/42/70/81/805427081.db2.gz UWMVBDGLSGNYCN-UHFFFAOYSA-N -1 3 287.326 3.006 20 0 CGADHM c1ccc2nc(Cc3ccc(-c4nn[n-]n4)cc3)ccc2c1 ZINC001250118889 805427084 /nfs/dbraw/zinc/42/70/84/805427084.db2.gz UWMVBDGLSGNYCN-UHFFFAOYSA-N -1 3 287.326 3.006 20 0 CGADHM CC(C)[C@@H](C)NC(=O)c1c(O)cc2ccccc2c1[O-] ZINC001154019395 805427639 /nfs/dbraw/zinc/42/76/39/805427639.db2.gz MZJBPAPGIIRSIO-SNVBAGLBSA-N -1 3 273.332 3.025 20 0 CGADHM O=C(c1cc([O-])c2ccccc2c1)N1CCn2cccc2C1 ZINC001154425928 805456553 /nfs/dbraw/zinc/45/65/53/805456553.db2.gz YYHGWFHLTRPYTR-UHFFFAOYSA-N -1 3 292.338 3.003 20 0 CGADHM c1cnc2c(c1)cccc2Cc1ccc(-c2nnn[n-]2)cc1 ZINC001250190056 805478495 /nfs/dbraw/zinc/47/84/95/805478495.db2.gz LPMBMMUTCKYJNR-UHFFFAOYSA-N -1 3 287.326 3.006 20 0 CGADHM c1cnc2c(c1)cccc2Cc1ccc(-c2nn[n-]n2)cc1 ZINC001250190056 805478497 /nfs/dbraw/zinc/47/84/97/805478497.db2.gz LPMBMMUTCKYJNR-UHFFFAOYSA-N -1 3 287.326 3.006 20 0 CGADHM [O-]c1cc(Nc2cnn(C(F)F)c2)ccc1Cl ZINC001212591690 815079610 /nfs/dbraw/zinc/07/96/10/815079610.db2.gz ZDDNETVCDZIVMJ-UHFFFAOYSA-N -1 3 259.643 3.381 20 0 CGADHM Cc1cn(-c2ccc(Cl)c([O-])c2)c2ncc(N)cc12 ZINC001212591679 815079824 /nfs/dbraw/zinc/07/98/24/815079824.db2.gz YOXDPRIVUKUPDB-UHFFFAOYSA-N -1 3 273.723 3.275 20 0 CGADHM CCOc1cc([N-]c2nnc(CC)s2)c(Cl)cn1 ZINC001250209982 805492466 /nfs/dbraw/zinc/49/24/66/805492466.db2.gz HJNXKDUJPQNPRI-UHFFFAOYSA-N -1 3 284.772 3.291 20 0 CGADHM O=C1NCc2ccc(Nc3ccc(Cl)c([O-])c3)cc21 ZINC001212591226 815079993 /nfs/dbraw/zinc/07/99/93/815079993.db2.gz BFFZNWVVUSNTRD-UHFFFAOYSA-N -1 3 274.707 3.033 20 0 CGADHM [O-]c1cc(Nc2ccc(F)cc2OCCO)ccc1Cl ZINC001212593674 815081108 /nfs/dbraw/zinc/08/11/08/815081108.db2.gz DNNGTDKVHUSYLB-UHFFFAOYSA-N -1 3 297.713 3.299 20 0 CGADHM COc1nccc(SC)c1C=C([O-])c1cccc(F)c1 ZINC001250237341 805513430 /nfs/dbraw/zinc/51/34/30/805513430.db2.gz YMTKWIFAPMVAFN-UHFFFAOYSA-N -1 3 291.347 3.377 20 0 CGADHM COc1ccc(F)c(C=C([O-])c2cccs2)c1F ZINC001250306011 805556555 /nfs/dbraw/zinc/55/65/55/805556555.db2.gz XWGQNMOKZXOQFW-UHFFFAOYSA-N -1 3 268.284 3.460 20 0 CGADHM CC1(C)C[C@H]1[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC001257288605 807087939 /nfs/dbraw/zinc/08/79/39/807087939.db2.gz MFKSCNIAICEQES-SECBINFHSA-N -1 3 294.203 3.070 20 0 CGADHM COCCOc1ccccc1[N-]c1nnc(C(C)(C)C)o1 ZINC001212635042 815090374 /nfs/dbraw/zinc/09/03/74/815090374.db2.gz SODLFVMYWLUOFD-UHFFFAOYSA-N -1 3 291.351 3.136 20 0 CGADHM Cc1ccc([O-])c(-c2nnc(CCCc3ccccc3)o2)n1 ZINC001257805826 807221770 /nfs/dbraw/zinc/22/17/70/807221770.db2.gz OGUDPBRSXDBNAQ-UHFFFAOYSA-N -1 3 295.342 3.321 20 0 CGADHM CC(C)Oc1ccccc1-c1noc(-c2cncc([O-])c2)n1 ZINC001212708345 815109261 /nfs/dbraw/zinc/10/92/61/815109261.db2.gz FLQBBNURSTVELC-UHFFFAOYSA-N -1 3 297.314 3.291 20 0 CGADHM CC(=O)c1cc(-c2nnc(CC3CCCC3)o2)ccc1[O-] ZINC001258601653 807501184 /nfs/dbraw/zinc/50/11/84/807501184.db2.gz GKSRQPWSQSBNCB-UHFFFAOYSA-N -1 3 286.331 3.378 20 0 CGADHM CC1(C)C[C@@H](C(=O)Nc2c([O-])cccc2Cl)CCO1 ZINC001262626412 807879988 /nfs/dbraw/zinc/87/99/88/807879988.db2.gz OOAPWYKTDMDUNQ-VIFPVBQESA-N -1 3 283.755 3.189 20 0 CGADHM Cc1cnc(F)cc1Nc1cc(F)c([O-])cc1F ZINC001212852784 815158523 /nfs/dbraw/zinc/15/85/23/815158523.db2.gz KJYYEQNXHJBCJL-UHFFFAOYSA-N -1 3 254.211 3.257 20 0 CGADHM COC1CCC(=Nc2c(F)cc([O-])cc2F)CC1 ZINC001212885114 815176447 /nfs/dbraw/zinc/17/64/47/815176447.db2.gz VGLFJPDDIRXOJW-JTQLQIEISA-N -1 3 255.264 3.165 20 0 CGADHM COc1ccc(Nc2ccc([O-])c(F)c2F)c(OC)c1 ZINC001173892537 808746828 /nfs/dbraw/zinc/74/68/28/808746828.db2.gz PKVBSJGYVZYHDZ-UHFFFAOYSA-N -1 3 281.258 3.431 20 0 CGADHM CCc1ccccc1Nc1cc(=O)[n-]c(C2CC2)n1 ZINC001173967356 808793648 /nfs/dbraw/zinc/79/36/48/808793648.db2.gz DGBJPBMXJPIXPF-UHFFFAOYSA-N -1 3 255.321 3.366 20 0 CGADHM CNC(=O)c1cccc(Nc2cccc([O-])c2Cl)c1 ZINC001174142377 808887579 /nfs/dbraw/zinc/88/75/79/808887579.db2.gz ZOFMSEMSFQALQI-UHFFFAOYSA-N -1 3 276.723 3.149 20 0 CGADHM Cc1nnc([N-]c2cccc(C(=O)Nc3ccccc3)c2)o1 ZINC001174205682 808899678 /nfs/dbraw/zinc/89/96/78/808899678.db2.gz VQKMWLTZMHNXNC-UHFFFAOYSA-N -1 3 294.314 3.374 20 0 CGADHM CCCn1cc(Nc2cccc(Cl)c2[O-])cn1 ZINC001174219626 808907996 /nfs/dbraw/zinc/90/79/96/808907996.db2.gz MDAABZQSJCOPPT-UHFFFAOYSA-N -1 3 251.717 3.396 20 0 CGADHM CCCn1cc(Nc2cc([O-])c(F)cc2F)cn1 ZINC001174220149 808908148 /nfs/dbraw/zinc/90/81/48/808908148.db2.gz VPPQCURSNDELNX-UHFFFAOYSA-N -1 3 253.252 3.021 20 0 CGADHM Cn1ncc2ccc(Nc3cc(F)c([O-])c(F)c3)cc21 ZINC001174340494 808961373 /nfs/dbraw/zinc/96/13/73/808961373.db2.gz CTWZVHUOOUIBNF-UHFFFAOYSA-N -1 3 275.258 3.301 20 0 CGADHM Cn1cnc2ccc(Nc3c(F)cc([O-])cc3F)cc21 ZINC001174349843 808971797 /nfs/dbraw/zinc/97/17/97/808971797.db2.gz PORLFZLZZQIJLB-UHFFFAOYSA-N -1 3 275.258 3.301 20 0 CGADHM Cc1nonc1[N-]c1ccc(C(=O)OC(C)(C)C)cc1 ZINC001174426221 809015185 /nfs/dbraw/zinc/01/51/85/809015185.db2.gz OZAUEHKJGVHBNO-UHFFFAOYSA-N -1 3 275.308 3.077 20 0 CGADHM CC(C)(O)c1cncc(Nc2cc([O-])c(F)cc2F)c1 ZINC001174591905 809094844 /nfs/dbraw/zinc/09/48/44/809094844.db2.gz GFJFHFLLIFMHHX-UHFFFAOYSA-N -1 3 280.274 3.036 20 0 CGADHM O=C1CCOc2c(Nc3ccc([O-])c(F)c3)ccc(F)c21 ZINC001174740774 809148723 /nfs/dbraw/zinc/14/87/23/809148723.db2.gz QPJNDFWFSHGABJ-UHFFFAOYSA-N -1 3 291.253 3.379 20 0 CGADHM [O-]c1cccc2sc(Nc3ccc4c(c3)OCO4)nc21 ZINC001174859740 809179807 /nfs/dbraw/zinc/17/98/07/809179807.db2.gz FXGBWPUGPBYBFM-UHFFFAOYSA-N -1 3 286.312 3.474 20 0 CGADHM Cc1cc2ncc(C)c(Nc3cc(F)c([O-])c(F)c3)n2n1 ZINC001213371019 815271020 /nfs/dbraw/zinc/27/10/20/815271020.db2.gz SMWYKKIFIQCOMR-UHFFFAOYSA-N -1 3 290.273 3.074 20 0 CGADHM Cc1ccc(Nc2cnc[n-]c2=O)c2ccccc12 ZINC001174987325 809228027 /nfs/dbraw/zinc/22/80/27/809228027.db2.gz DFGXERMJJUUNOK-UHFFFAOYSA-N -1 3 251.289 3.387 20 0 CGADHM COc1cc(Cl)cnc1Nc1cc(F)c([O-])c(F)c1 ZINC001213374901 815271905 /nfs/dbraw/zinc/27/19/05/815271905.db2.gz DSDQVROXQWWXED-UHFFFAOYSA-N -1 3 286.665 3.471 20 0 CGADHM COc1nc(C)ccc1Nc1cc(F)c([O-])c(F)c1 ZINC001213373755 815271915 /nfs/dbraw/zinc/27/19/15/815271915.db2.gz XMGMNHKZXIWKLH-UHFFFAOYSA-N -1 3 266.247 3.126 20 0 CGADHM O=c1[nH]cc(Cl)cc1Nc1cc(F)c([O-])c(F)c1 ZINC001213375245 815272409 /nfs/dbraw/zinc/27/24/09/815272409.db2.gz USHPDXBHMJJGTH-UHFFFAOYSA-N -1 3 272.638 3.168 20 0 CGADHM COc1nccc(C)c1Nc1cc(F)c([O-])c(F)c1 ZINC001213371152 815272552 /nfs/dbraw/zinc/27/25/52/815272552.db2.gz XCTHBBXCXJNXNY-UHFFFAOYSA-N -1 3 266.247 3.126 20 0 CGADHM [O-]c1c(F)cc(Nc2cccc(C3OCCO3)c2)cc1F ZINC001213381766 815272875 /nfs/dbraw/zinc/27/28/75/815272875.db2.gz FZRKAHHYLFIQMN-UHFFFAOYSA-N -1 3 293.269 3.459 20 0 CGADHM CCc1cc2ncc(Nc3cc(F)c([O-])c(F)c3)cn2n1 ZINC001213377396 815273035 /nfs/dbraw/zinc/27/30/35/815273035.db2.gz NCYLLDQNFSKMMX-UHFFFAOYSA-N -1 3 290.273 3.019 20 0 CGADHM CCc1cnn2cc(Nc3cc(F)c([O-])c(F)c3)cnc12 ZINC001213377745 815273526 /nfs/dbraw/zinc/27/35/26/815273526.db2.gz ZYSJENHCXUHGJT-UHFFFAOYSA-N -1 3 290.273 3.019 20 0 CGADHM CN(c1cc(F)c([O-])c(F)c1)c1ccccc1N ZINC001213381886 815273945 /nfs/dbraw/zinc/27/39/45/815273945.db2.gz MYTUHCWFEAVMCE-UHFFFAOYSA-N -1 3 250.248 3.021 20 0 CGADHM Cc1nn(-c2cc(F)c([O-])c(F)c2)c2cc(N)cc(F)c12 ZINC001213384694 815274582 /nfs/dbraw/zinc/27/45/82/815274582.db2.gz ZZYTWRZJIKIKNU-UHFFFAOYSA-N -1 3 293.248 3.039 20 0 CGADHM O=c1cc(Nc2c(F)cc(O)cc2F)n(C2CCCC2)[n-]1 ZINC001175094929 809268877 /nfs/dbraw/zinc/26/88/77/809268877.db2.gz WEBRYWKWANIMSK-UHFFFAOYSA-N -1 3 295.289 3.431 20 0 CGADHM [O-]c1cc(F)c(Nc2ccc3c(c2)COC3)c(F)c1 ZINC001175099823 809270868 /nfs/dbraw/zinc/27/08/68/809270868.db2.gz AZQKYSOYALVFOW-UHFFFAOYSA-N -1 3 263.243 3.444 20 0 CGADHM Cc1cccc(CO)c1Nc1c(F)cc([O-])cc1F ZINC001175103729 809272798 /nfs/dbraw/zinc/27/27/98/809272798.db2.gz XMCLXIHRGOATSX-UHFFFAOYSA-N -1 3 265.259 3.215 20 0 CGADHM CCOC(=O)c1cc([N-]c2c(F)cc(F)cc2F)on1 ZINC001175143469 809286787 /nfs/dbraw/zinc/28/67/87/809286787.db2.gz HZOZPLKCFXJYQW-UHFFFAOYSA-N -1 3 286.209 3.012 20 0 CGADHM COc1cc(Cl)cnc1Nc1c(F)ccc([O-])c1F ZINC001175264037 809329492 /nfs/dbraw/zinc/32/94/92/809329492.db2.gz QMTBGEVTTWYATP-UHFFFAOYSA-N -1 3 286.665 3.471 20 0 CGADHM [O-]c1ccc(F)c(Nc2ccn3nccc3c2)c1F ZINC001175262915 809329573 /nfs/dbraw/zinc/32/95/73/809329573.db2.gz CULFAEAVSJNIIN-UHFFFAOYSA-N -1 3 261.231 3.062 20 0 CGADHM COC(=O)Cc1ccc(Nc2c(F)ccc([O-])c2F)cc1 ZINC001175265294 809330484 /nfs/dbraw/zinc/33/04/84/809330484.db2.gz KQUREGCALLBBHB-UHFFFAOYSA-N -1 3 293.269 3.130 20 0 CGADHM Nc1cc(F)cc(F)c1Nc1c(F)ccc([O-])c1F ZINC001175265911 809330714 /nfs/dbraw/zinc/33/07/14/809330714.db2.gz QXLWCPQXXXILMA-UHFFFAOYSA-N -1 3 272.201 3.274 20 0 CGADHM [O-]c1ccc(F)c(Nc2ccc3c(c2)COC3)c1F ZINC001175266349 809330725 /nfs/dbraw/zinc/33/07/25/809330725.db2.gz XPPZJQKQSWHHBX-UHFFFAOYSA-N -1 3 263.243 3.444 20 0 CGADHM Cc1cc(N)ccc1Nc1c(F)ccc([O-])c1F ZINC001175267643 809331052 /nfs/dbraw/zinc/33/10/52/809331052.db2.gz DTTQQLFGJDZQFU-UHFFFAOYSA-N -1 3 250.248 3.305 20 0 CGADHM Nc1ccc(F)c(F)c1Nc1c(F)ccc([O-])c1F ZINC001175265999 809331140 /nfs/dbraw/zinc/33/11/40/809331140.db2.gz RZBVROFSHZDSFN-UHFFFAOYSA-N -1 3 272.201 3.274 20 0 CGADHM [O-]c1ccc(F)c(Nc2ccnc(OC(F)F)c2)c1F ZINC001175265966 809331420 /nfs/dbraw/zinc/33/14/20/809331420.db2.gz NMOJGWAEIQXSGO-UHFFFAOYSA-N -1 3 288.200 3.410 20 0 CGADHM [O-]c1ccc(F)c(Nc2cccc(F)c2CO)c1F ZINC001175268152 809332199 /nfs/dbraw/zinc/33/21/99/809332199.db2.gz LQLBSHFFIZYWGJ-UHFFFAOYSA-N -1 3 269.222 3.045 20 0 CGADHM O=c1[nH]cnc2ccc(Nc3c(F)ccc([O-])c3F)cc12 ZINC001175268099 809332240 /nfs/dbraw/zinc/33/22/40/809332240.db2.gz HKHMHMULTGNEAU-UHFFFAOYSA-N -1 3 289.241 3.063 20 0 CGADHM Nc1ccc2nn(-c3c(F)ccc([O-])c3F)cc2c1Cl ZINC001175268509 809332500 /nfs/dbraw/zinc/33/25/00/809332500.db2.gz RIVQSOVMLSLTTI-UHFFFAOYSA-N -1 3 295.676 3.245 20 0 CGADHM O=c1[nH]ccc2cc(Nc3c(F)ccc([O-])c3F)ccc21 ZINC001175268679 809332690 /nfs/dbraw/zinc/33/26/90/809332690.db2.gz PPYPLSXDGQTFQH-UHFFFAOYSA-N -1 3 288.253 3.256 20 0 CGADHM Nc1cc2nn(-c3c(F)ccc([O-])c3F)cc2cc1Cl ZINC001175270706 809334289 /nfs/dbraw/zinc/33/42/89/809334289.db2.gz HWBZZRUSRVXBBV-UHFFFAOYSA-N -1 3 295.676 3.245 20 0 CGADHM [O-]c1ccc(F)c(Nc2cccc3c2OCC[C@H]3O)c1F ZINC001175269143 809334472 /nfs/dbraw/zinc/33/44/72/809334472.db2.gz DQVLWUASQGTYPX-LLVKDONJSA-N -1 3 293.269 3.230 20 0 CGADHM Cn1ncc2cc(Nc3ncc(Cl)cc3[O-])ccc21 ZINC001175420654 809398642 /nfs/dbraw/zinc/39/86/42/809398642.db2.gz GWSPJDSDIOPLDO-UHFFFAOYSA-N -1 3 274.711 3.071 20 0 CGADHM c1ccc2nc(Nc3ccc(-c4nn[n-]n4)cc3)ccc2c1 ZINC001175421782 809399454 /nfs/dbraw/zinc/39/94/54/809399454.db2.gz CCZYUCNATKIICF-UHFFFAOYSA-N -1 3 288.314 3.159 20 0 CGADHM CCOc1cc(F)ccc1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175428160 809401502 /nfs/dbraw/zinc/40/15/02/809401502.db2.gz DYCPEWCGRJPEII-UHFFFAOYSA-N -1 3 299.309 3.148 20 0 CGADHM Fc1ccc(Cl)cc1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175429612 809401721 /nfs/dbraw/zinc/40/17/21/809401721.db2.gz XJQHZEJKHZNCNQ-UHFFFAOYSA-N -1 3 289.701 3.403 20 0 CGADHM Cc1nc2ccc(Nc3ccc(-c4nn[n-]n4)cc3)cc2o1 ZINC001175429362 809401742 /nfs/dbraw/zinc/40/17/42/809401742.db2.gz IKPSTKYWWGHLGP-UHFFFAOYSA-N -1 3 292.302 3.060 20 0 CGADHM Fc1ccc(-c2noc(-c3cc(Cl)n[n-]3)n2)c(F)c1 ZINC001213498681 815290562 /nfs/dbraw/zinc/29/05/62/815290562.db2.gz QBZCCJGDKKRFIL-UHFFFAOYSA-N -1 3 282.637 3.058 20 0 CGADHM COc1ccc(-c2noc(-c3cc(Cl)n[n-]3)n2)c(C)c1 ZINC001213500221 815290961 /nfs/dbraw/zinc/29/09/61/815290961.db2.gz CHUFBTQCQYCPAU-UHFFFAOYSA-N -1 3 290.710 3.097 20 0 CGADHM Cn1cc2ccc(Nc3ccc([O-])c(F)c3F)cc2n1 ZINC001175611858 809473721 /nfs/dbraw/zinc/47/37/21/809473721.db2.gz JAUUDAZJGSCXGU-UHFFFAOYSA-N -1 3 275.258 3.301 20 0 CGADHM CSc1cc(C)ccc1CNC(=O)c1ccccc1[O-] ZINC001294983822 809477630 /nfs/dbraw/zinc/47/76/30/809477630.db2.gz LVTLRYRZHOCUIP-UHFFFAOYSA-N -1 3 287.384 3.353 20 0 CGADHM CSc1ccc([O-])c(C(=O)NCC2(C3CC3)CCC2)c1 ZINC001295394600 809485758 /nfs/dbraw/zinc/48/57/58/809485758.db2.gz GAVLALZBNRWPNO-UHFFFAOYSA-N -1 3 291.416 3.424 20 0 CGADHM O=Cc1ccc(CC(=O)Nc2ccc(Cl)cc2[O-])cc1 ZINC001295972847 809497101 /nfs/dbraw/zinc/49/71/01/809497101.db2.gz UBFMBQWONVLTFQ-UHFFFAOYSA-N -1 3 289.718 3.039 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2ccnc(Cl)c2Cl)n1 ZINC001297159173 809514262 /nfs/dbraw/zinc/51/42/62/809514262.db2.gz RBWJRUVAWLAPRA-UHFFFAOYSA-N -1 3 298.129 3.050 20 0 CGADHM COc1cc(F)c(Nc2cc(=O)[n-]c(C3CC3)n2)c(F)c1 ZINC001175720416 809519844 /nfs/dbraw/zinc/51/98/44/809519844.db2.gz JSDPLOYAYWYALY-UHFFFAOYSA-N -1 3 293.273 3.090 20 0 CGADHM CCC[C@@H]1CCC[C@@H]1C(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC001298307361 809531047 /nfs/dbraw/zinc/53/10/47/809531047.db2.gz ZLMFMABLTSQUGX-PWSUYJOCSA-N -1 3 287.363 3.423 20 0 CGADHM CCCn1nc(C)cc1Nc1ncc(Cl)cc1[O-] ZINC001175798237 809546453 /nfs/dbraw/zinc/54/64/53/809546453.db2.gz HOCOZVKYSZLRHP-UHFFFAOYSA-N -1 3 266.732 3.099 20 0 CGADHM COc1cccc([O-])c1C(=O)NCC1C[C@@H](C)C[C@H](C)C1 ZINC001300540159 809570631 /nfs/dbraw/zinc/57/06/31/809570631.db2.gz KVFFNYBGZSDDGK-RYUDHWBXSA-N -1 3 291.391 3.203 20 0 CGADHM [O-]c1ccc(Nc2ccc3nonc3c2)cc1Cl ZINC001176326346 809668682 /nfs/dbraw/zinc/66/86/82/809668682.db2.gz WFVUYBQOMNTYLQ-UHFFFAOYSA-N -1 3 261.668 3.325 20 0 CGADHM Nc1ccc2[nH]c(=S)n(-c3cc([O-])cc(Cl)c3)c2c1 ZINC001176624732 809733862 /nfs/dbraw/zinc/73/38/62/809733862.db2.gz OBCPSLIURJHZRU-UHFFFAOYSA-N -1 3 291.763 3.255 20 0 CGADHM Nc1nonc1[N-]c1ccc(C2CCCCC2)cc1 ZINC001176731245 809753861 /nfs/dbraw/zinc/75/38/61/809753861.db2.gz XVOUPQIDVDWAPH-UHFFFAOYSA-N -1 3 258.325 3.443 20 0 CGADHM CCc1ccc(C(=O)NC2CC(Cl)(Cl)C2)c([O-])c1 ZINC001178879271 809892440 /nfs/dbraw/zinc/89/24/40/809892440.db2.gz YYPDEYDSUWDMLA-UHFFFAOYSA-N -1 3 288.174 3.021 20 0 CGADHM CCCCOc1ccc(C(=O)N[C@@H](C)CC)c([O-])c1 ZINC001182174180 810096813 /nfs/dbraw/zinc/09/68/13/810096813.db2.gz BECHANNWBKHDNV-NSHDSACASA-N -1 3 265.353 3.099 20 0 CGADHM [O-]c1cc(F)cnc1Nc1ccc(N2CCCC2)cc1F ZINC001213847714 815339566 /nfs/dbraw/zinc/33/95/66/815339566.db2.gz IGAZDKPXGCVLCE-UHFFFAOYSA-N -1 3 291.301 3.409 20 0 CGADHM O=c1cc(Nc2ccc3cc[nH]c(=O)c3c2)nc(C2CC2)[n-]1 ZINC001213953856 815350116 /nfs/dbraw/zinc/35/01/16/815350116.db2.gz KRXWLNACOSFJOO-UHFFFAOYSA-N -1 3 294.314 3.057 20 0 CGADHM CCCCCC[N-]S(=O)(=O)c1ccc(C)c(F)c1F ZINC001184657078 810213966 /nfs/dbraw/zinc/21/39/66/810213966.db2.gz ULOZNAVNLMWZNM-UHFFFAOYSA-N -1 3 291.363 3.132 20 0 CGADHM O=S(=O)([N-][C@@H]1CC[C@@H](F)C1)c1cc2ccccc2s1 ZINC001185470616 810268213 /nfs/dbraw/zinc/26/82/13/810268213.db2.gz VDYYKZHXFLINHZ-GHMZBOCLSA-N -1 3 299.392 3.070 20 0 CGADHM Cc1ccc([O-])c(NC(=O)Nc2ccc3c(c2)CCC3)n1 ZINC001185726987 810288860 /nfs/dbraw/zinc/28/88/60/810288860.db2.gz FFEYPZKHDYPGNF-UHFFFAOYSA-N -1 3 283.331 3.228 20 0 CGADHM Cc1ccc([O-])c(NC(=O)N[C@H](C)C2CCCCC2)n1 ZINC001186310313 810326103 /nfs/dbraw/zinc/32/61/03/810326103.db2.gz PXGZUEDCURYFSP-LLVKDONJSA-N -1 3 277.368 3.186 20 0 CGADHM O=C(NCCC(F)(F)F)Nc1c([O-])cccc1Cl ZINC001187010676 810378793 /nfs/dbraw/zinc/37/87/93/810378793.db2.gz OABQIVYOJRAECN-UHFFFAOYSA-N -1 3 282.649 3.120 20 0 CGADHM O=C(NCC(F)(F)F)Nc1cc2ccccc2cc1[O-] ZINC001187087208 810382908 /nfs/dbraw/zinc/38/29/08/810382908.db2.gz MHVBJUJVUWANQL-UHFFFAOYSA-N -1 3 284.237 3.229 20 0 CGADHM O=C(Nc1cncc([O-])c1)Nc1cccc(Cl)c1F ZINC001188381107 810479008 /nfs/dbraw/zinc/47/90/08/810479008.db2.gz PZHQBBRRFLKRTA-UHFFFAOYSA-N -1 3 281.674 3.224 20 0 CGADHM Cc1ccc(CNC(=O)c2c(C)cccc2[O-])c(F)c1F ZINC001188659226 810500090 /nfs/dbraw/zinc/50/00/90/810500090.db2.gz JAOLHDYIIKBVHA-UHFFFAOYSA-N -1 3 291.297 3.217 20 0 CGADHM Nc1ccc(F)cc1Nc1nc2c(cccc2[O-])s1 ZINC001214197216 815382173 /nfs/dbraw/zinc/38/21/73/815382173.db2.gz XKMMIHINTNFYFJ-UHFFFAOYSA-N -1 3 275.308 3.467 20 0 CGADHM O=S(=O)(CC1CCCC1)[N-]c1cc(F)cc(F)c1F ZINC001191526169 810723252 /nfs/dbraw/zinc/72/32/52/810723252.db2.gz ACBVWTZCJOWOKL-UHFFFAOYSA-N -1 3 293.310 3.036 20 0 CGADHM CC(C)(C)c1ccc(C(=O)N2CC(C(F)F)C2)c([O-])c1 ZINC001192322613 810787715 /nfs/dbraw/zinc/78/77/15/810787715.db2.gz GGTJIZGUKYTFAO-UHFFFAOYSA-N -1 3 283.318 3.027 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])N[C@@H]1CCc2ccccc21 ZINC001192988583 810840579 /nfs/dbraw/zinc/84/05/79/810840579.db2.gz CATVJPHXLIACFT-CYBMUJFWSA-N -1 3 286.306 3.340 20 0 CGADHM CCCC[C@H](C)NC(=O)Nc1cc(F)ccc1[O-] ZINC001193061962 810850111 /nfs/dbraw/zinc/85/01/11/810850111.db2.gz CARZHJWAWNGFNV-VIFPVBQESA-N -1 3 254.305 3.232 20 0 CGADHM CC(C)COC(=O)Nc1cc(Br)ccc1[O-] ZINC001193832877 810964249 /nfs/dbraw/zinc/96/42/49/810964249.db2.gz YMIOIHAHOASCEM-UHFFFAOYSA-N -1 3 288.141 3.359 20 0 CGADHM Cc1cc(O)cc([O-])c1C(=O)N[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC001193945381 810983939 /nfs/dbraw/zinc/98/39/39/810983939.db2.gz CNIZAEJWYQRBLC-PWSUYJOCSA-N -1 3 291.391 3.351 20 0 CGADHM CCCOC(=O)Nc1c([O-])cccc1Br ZINC001194122553 811017030 /nfs/dbraw/zinc/01/70/30/811017030.db2.gz NJCRQMQWAIMJEX-UHFFFAOYSA-N -1 3 274.114 3.113 20 0 CGADHM Cc1ccccc1[N-]S(=O)(=O)c1c(C)cccc1C ZINC001194603038 811093889 /nfs/dbraw/zinc/09/38/89/811093889.db2.gz ONCGCRHDCAZXPT-UHFFFAOYSA-N -1 3 275.373 3.413 20 0 CGADHM [O-]c1ccc(Cl)c(Nc2cc(F)ccn2)c1F ZINC001214553872 815422113 /nfs/dbraw/zinc/42/21/13/815422113.db2.gz DPRKDEFHOSCRGA-UHFFFAOYSA-N -1 3 256.639 3.462 20 0 CGADHM O=c1[n-]cncc1Nc1c(F)cc(Cl)cc1Cl ZINC001214549750 815422306 /nfs/dbraw/zinc/42/23/06/815422306.db2.gz OVAPGARABLJVPV-UHFFFAOYSA-N -1 3 274.082 3.372 20 0 CGADHM [O-]c1ccc(Cl)c(Nc2ncccc2F)c1F ZINC001214554207 815423270 /nfs/dbraw/zinc/42/32/70/815423270.db2.gz LSAVFBYAVAQPPI-UHFFFAOYSA-N -1 3 256.639 3.462 20 0 CGADHM Nc1cc2cn(-c3c(Cl)ccc([O-])c3F)nc2cc1F ZINC001214563419 815424647 /nfs/dbraw/zinc/42/46/47/815424647.db2.gz FPENHXVBHSDXNG-UHFFFAOYSA-N -1 3 295.676 3.245 20 0 CGADHM Nc1ccc(Nc2c(Cl)ccc([O-])c2F)c(CCO)c1 ZINC001214561351 815424334 /nfs/dbraw/zinc/42/43/34/815424334.db2.gz HWJLINXULVUKFV-UHFFFAOYSA-N -1 3 296.729 3.045 20 0 CGADHM Cc1cc(Cl)c(C(=O)Nc2ccc(F)c([O-])c2)cn1 ZINC001194895875 811166391 /nfs/dbraw/zinc/16/63/91/811166391.db2.gz LTSJTFILSNDIFQ-UHFFFAOYSA-N -1 3 280.686 3.140 20 0 CGADHM CCCCc1ccc(NC([S-])=NC(=O)OCC)cc1 ZINC001195487334 811260778 /nfs/dbraw/zinc/26/07/78/811260778.db2.gz SVPJWEZNFSXKPU-UHFFFAOYSA-N -1 3 280.393 3.472 20 0 CGADHM CCCCc1ccc(NC(=S)[N-]C(=O)OCC)cc1 ZINC001195487334 811260780 /nfs/dbraw/zinc/26/07/80/811260780.db2.gz SVPJWEZNFSXKPU-UHFFFAOYSA-N -1 3 280.393 3.472 20 0 CGADHM [O-]c1ccc(NC(=S)Nc2ccccc2F)cc1F ZINC001195773317 811291950 /nfs/dbraw/zinc/29/19/50/811291950.db2.gz NQOOUDYTRCCOTM-UHFFFAOYSA-N -1 3 280.299 3.479 20 0 CGADHM CCOc1cncc(C(=O)Nc2cc([O-])cc(Cl)c2)c1 ZINC001197619982 811438366 /nfs/dbraw/zinc/43/83/66/811438366.db2.gz MHCDALXUPSXFTC-UHFFFAOYSA-N -1 3 292.722 3.092 20 0 CGADHM CC(C)Cn1cnc(C(=O)Nc2cc([O-])cc(Cl)c2)c1 ZINC001198575149 811520872 /nfs/dbraw/zinc/52/08/72/811520872.db2.gz JZQWBTUQWSQKKW-UHFFFAOYSA-N -1 3 293.754 3.150 20 0 CGADHM Cc1c(Cl)onc1C(=O)[N-]c1cc(CC(C)(C)C)no1 ZINC001199671065 811583954 /nfs/dbraw/zinc/58/39/54/811583954.db2.gz WIJOEKSXSVGEAL-UHFFFAOYSA-N -1 3 297.742 3.465 20 0 CGADHM CC(C)(C)c1cc(Nc2cc(C(=O)[O-])cnc2F)ccn1 ZINC001215124242 815485385 /nfs/dbraw/zinc/48/53/85/815485385.db2.gz HZKTWGKTCRZMSC-UHFFFAOYSA-N -1 3 289.310 3.355 20 0 CGADHM O=C1CCCc2cccc(Nc3cncc([O-])c3)c21 ZINC001201646985 811929509 /nfs/dbraw/zinc/92/95/09/811929509.db2.gz WWLGDHLSSRLBHG-UHFFFAOYSA-N -1 3 254.289 3.050 20 0 CGADHM O=c1cc(Nc2ccc(C3CC3)cc2)[nH]c(=S)[n-]1 ZINC001201675270 811934003 /nfs/dbraw/zinc/93/40/03/811934003.db2.gz JBDCJOCLJDXHLZ-UHFFFAOYSA-N -1 3 259.334 3.092 20 0 CGADHM COc1ccc(F)c(-c2noc(-c3ccccc3[O-])n2)c1 ZINC001215142011 815487780 /nfs/dbraw/zinc/48/77/80/815487780.db2.gz IIEQAJFCSAHXRH-UHFFFAOYSA-N -1 3 286.262 3.257 20 0 CGADHM Cc1ccc(C)c(NC(=O)Nc2nc(C)ccc2[O-])c1 ZINC001202759183 812167593 /nfs/dbraw/zinc/16/75/93/812167593.db2.gz OCVAMOPGMLTMLZ-UHFFFAOYSA-N -1 3 271.320 3.356 20 0 CGADHM CC(=O)c1cc(-c2nc(-c3cccc(F)c3)no2)ccc1[O-] ZINC001215365332 815509952 /nfs/dbraw/zinc/50/99/52/815509952.db2.gz OEIHGVBMZDVNSU-UHFFFAOYSA-N -1 3 298.273 3.451 20 0 CGADHM Cc1nnc([N-]c2ccc3cnn([C@H]4CCCCO4)c3c2)o1 ZINC001215559142 815535577 /nfs/dbraw/zinc/53/55/77/815535577.db2.gz ORVBKRUNIWDUKH-CQSZACIVSA-N -1 3 299.334 3.170 20 0 CGADHM Cc1ccc([C@@H]2CCCN2Cc2ccc(C(=O)[O-])cc2)cn1 ZINC001204156664 812558934 /nfs/dbraw/zinc/55/89/34/812558934.db2.gz HVAZUZPWPZIYQP-KRWDZBQOSA-N -1 3 296.370 3.425 20 0 CGADHM CC(C)Oc1ccc(F)c(-c2ccc(=S)[n-]n2)c1F ZINC001204643231 812698658 /nfs/dbraw/zinc/69/86/58/812698658.db2.gz HVRBJINWJIUTLC-UHFFFAOYSA-N -1 3 282.315 3.498 20 0 CGADHM CCc1nnc(-c2ccc([O-])cc2C(F)(F)F)nc1CC ZINC001205087111 812855897 /nfs/dbraw/zinc/85/58/97/812855897.db2.gz NBOMFZCUMPBRLL-UHFFFAOYSA-N -1 3 297.280 3.388 20 0 CGADHM Cn1ccc2cc(Nc3ncc(Cl)cc3[O-])cnc21 ZINC001205679723 813050974 /nfs/dbraw/zinc/05/09/74/813050974.db2.gz ITGBSBZMJAVJAW-UHFFFAOYSA-N -1 3 274.711 3.071 20 0 CGADHM [O-]c1ccc(-c2ccnc(C(F)(F)F)n2)c(F)c1 ZINC001206021148 813167792 /nfs/dbraw/zinc/16/77/92/813167792.db2.gz GRDGWECEIJBZRK-UHFFFAOYSA-N -1 3 258.174 3.007 20 0 CGADHM [O-]c1ccc(-c2cc(-c3ccccn3)ncn2)c(F)c1 ZINC001206044673 813179321 /nfs/dbraw/zinc/17/93/21/813179321.db2.gz RNZNCCSBKKPBSJ-UHFFFAOYSA-N -1 3 267.263 3.050 20 0 CGADHM COC(=O)n1ccc2ccc(-c3ccc([O-])cc3F)nc21 ZINC001206051387 813182250 /nfs/dbraw/zinc/18/22/50/813182250.db2.gz KZVCQRGLDVESJV-UHFFFAOYSA-N -1 3 286.262 3.163 20 0 CGADHM COc1cc(F)c(-c2ccc([O-])cc2F)cc1F ZINC001206057799 813184560 /nfs/dbraw/zinc/18/45/60/813184560.db2.gz OTZAMELWGMBGCK-UHFFFAOYSA-N -1 3 254.207 3.485 20 0 CGADHM CC(C)COc1ncc(-c2ccc([O-])cc2F)cn1 ZINC001206080274 813192953 /nfs/dbraw/zinc/19/29/53/813192953.db2.gz GLYCSEXMABLPRZ-UHFFFAOYSA-N -1 3 262.284 3.023 20 0 CGADHM COC(=O)c1c(F)ccc(F)c1-c1ccc([O-])cc1F ZINC001206088479 813196127 /nfs/dbraw/zinc/19/61/27/813196127.db2.gz LZKZSAYCORFQCE-UHFFFAOYSA-N -1 3 282.217 3.263 20 0 CGADHM O=c1ccn(-c2ccc(Nc3ccc4[nH]cnc4c3)cc2)[n-]1 ZINC001209849829 814170287 /nfs/dbraw/zinc/17/02/87/814170287.db2.gz DDUUMBKAJNPFEK-UHFFFAOYSA-N -1 3 291.314 3.198 20 0 CGADHM C=Cc1cccc([N-]S(=O)(=O)c2ccc(N)c(C)c2)c1 ZINC001209923270 814200295 /nfs/dbraw/zinc/20/02/95/814200295.db2.gz SDMAIMNZCWPGSA-UHFFFAOYSA-N -1 3 288.372 3.021 20 0 CGADHM CN(C)c1ccccc1Nc1ncc(Cl)cc1[O-] ZINC001209988300 814230771 /nfs/dbraw/zinc/23/07/71/814230771.db2.gz WQVXZSREGWXYRF-UHFFFAOYSA-N -1 3 263.728 3.250 20 0 CGADHM Nc1ccc2c(Cl)nn(-c3cccc(F)c3[O-])c2c1 ZINC001210197953 814333778 /nfs/dbraw/zinc/33/37/78/814333778.db2.gz HDIHYJYQUKHXKZ-UHFFFAOYSA-N -1 3 277.686 3.106 20 0 CGADHM [O-]c1cc(Br)cnc1Nc1cccc(F)c1O ZINC001210196872 814333881 /nfs/dbraw/zinc/33/38/81/814333881.db2.gz ZTPGLVNJSYWRRN-UHFFFAOYSA-N -1 3 299.099 3.138 20 0 CGADHM Cc1cc(C(N)=O)c(Nc2cccc(Cl)c2[O-])s1 ZINC001210215651 814344782 /nfs/dbraw/zinc/34/47/82/814344782.db2.gz LDDVTKXQVKHIKD-UHFFFAOYSA-N -1 3 282.752 3.258 20 0 CGADHM COC(=O)c1ccc(N)c(Nc2cccc(Cl)c2[O-])c1 ZINC001210218693 814346447 /nfs/dbraw/zinc/34/64/47/814346447.db2.gz DQLGJJWJWFMYIQ-UHFFFAOYSA-N -1 3 292.722 3.158 20 0 CGADHM CNC(=O)Cc1cccc(Nc2cccc(Cl)c2[O-])c1 ZINC001210223120 814350055 /nfs/dbraw/zinc/35/00/55/814350055.db2.gz KCYQXMCPYHCBGC-UHFFFAOYSA-N -1 3 290.750 3.078 20 0 CGADHM COC(=O)c1c(O)cccc1Nc1cccc(Cl)c1[O-] ZINC001210222937 814350072 /nfs/dbraw/zinc/35/00/72/814350072.db2.gz DVRXXUOQDPFBDZ-UHFFFAOYSA-N -1 3 293.706 3.281 20 0 CGADHM CC(C)n1ccc(Nc2cc(F)cc(F)c2[O-])n1 ZINC001210348285 814415824 /nfs/dbraw/zinc/41/58/24/814415824.db2.gz UDDYXDKAEUWPIN-UHFFFAOYSA-N -1 3 253.252 3.191 20 0 CGADHM C[C@H](O)c1ccc(Nc2cc(F)c([O-])c(F)c2)cc1 ZINC001210647737 814570837 /nfs/dbraw/zinc/57/08/37/814570837.db2.gz OTQVFCSNSMZOQU-QMMMGPOBSA-N -1 3 265.259 3.467 20 0 CGADHM [O-]c1cc(-c2nnc3ccccc3n2)cc(C(F)(F)F)c1 ZINC001242781609 823131487 /nfs/dbraw/zinc/13/14/87/823131487.db2.gz ODMLKRDKAWNWOR-UHFFFAOYSA-N -1 3 291.232 3.416 20 0 CGADHM Cc1cc(C[C@@H](C)Nc2cccc([O-])c2Cl)on1 ZINC001210844281 814649306 /nfs/dbraw/zinc/64/93/06/814649306.db2.gz CEBUCMZSOLZDQN-MRVPVSSYSA-N -1 3 266.728 3.385 20 0 CGADHM CCOC(=O)c1cncc(Nc2cccc([O-])c2Cl)c1 ZINC001210844857 814649336 /nfs/dbraw/zinc/64/93/36/814649336.db2.gz NZVWGUFXTRHALS-UHFFFAOYSA-N -1 3 292.722 3.361 20 0 CGADHM [O-]c1cccc(Nc2cc(F)nc(F)c2)c1Cl ZINC001210851729 814650727 /nfs/dbraw/zinc/65/07/27/814650727.db2.gz HQHCLPMTGWUDPB-UHFFFAOYSA-N -1 3 256.639 3.462 20 0 CGADHM Cc1cc(N)c2ccnc-2n1-c1cccc([O-])c1Cl ZINC001210854104 814651885 /nfs/dbraw/zinc/65/18/85/814651885.db2.gz ZTYNUIDLJZGZNF-UHFFFAOYSA-N -1 3 273.723 3.227 20 0 CGADHM COCCOc1cc(Nc2cccc([O-])c2Cl)ccn1 ZINC001210855269 814652260 /nfs/dbraw/zinc/65/22/60/814652260.db2.gz LPIYHSZMFJQAPO-UHFFFAOYSA-N -1 3 294.738 3.209 20 0 CGADHM COc1ccc(N)cc1Nc1cccc([O-])c1Cl ZINC001210854601 814652538 /nfs/dbraw/zinc/65/25/38/814652538.db2.gz HESONKIUHSZAAX-UHFFFAOYSA-N -1 3 264.712 3.380 20 0 CGADHM CSc1cc(Nc2cccc([O-])c2Cl)nn1C ZINC001210854015 814652672 /nfs/dbraw/zinc/65/26/72/814652672.db2.gz VDAVIGSIXJVLFS-UHFFFAOYSA-N -1 3 269.757 3.245 20 0 CGADHM [O-]c1cc(Nc2ccc(F)c(O)c2)c(F)cc1F ZINC001211217316 814852859 /nfs/dbraw/zinc/85/28/59/814852859.db2.gz KJHUYKBSDPZXCM-UHFFFAOYSA-N -1 3 255.195 3.259 20 0 CGADHM COC(=O)c1ccc(F)cc1Nc1cc([O-])c(F)cc1F ZINC001211353897 814885789 /nfs/dbraw/zinc/88/57/89/814885789.db2.gz YYJQXCIUXXBZKM-UHFFFAOYSA-N -1 3 297.232 3.340 20 0 CGADHM [O-]c1cc(F)cnc1Nc1ccc(Cl)c2n[nH]cc21 ZINC001215941728 815636526 /nfs/dbraw/zinc/63/65/26/815636526.db2.gz YDPZKVNUSKXADN-UHFFFAOYSA-N -1 3 278.674 3.200 20 0 CGADHM Cc1cc(-n2c3cc(N)ccc3[nH]c2=S)cc([O-])c1F ZINC001216084126 815686995 /nfs/dbraw/zinc/68/69/95/815686995.db2.gz VZGABIVXKILPBF-UHFFFAOYSA-N -1 3 289.335 3.050 20 0 CGADHM COc1cc(Nc2cnc(C)[n-]c2=O)ccc1C1CC1 ZINC001216251137 815755711 /nfs/dbraw/zinc/75/57/11/815755711.db2.gz FWFXLYGHTMRVMZ-UHFFFAOYSA-N -1 3 271.320 3.120 20 0 CGADHM COc1ccc(Nc2cccc([O-])c2Cl)cc1N ZINC001216260236 815759564 /nfs/dbraw/zinc/75/95/64/815759564.db2.gz VRWGNAWVBMXYAS-UHFFFAOYSA-N -1 3 264.712 3.380 20 0 CGADHM COc1ccccc1-c1noc(-c2c([O-])cc(C)cc2O)n1 ZINC001216267777 815762004 /nfs/dbraw/zinc/76/20/04/815762004.db2.gz ULLVLBHVJXJZEC-UHFFFAOYSA-N -1 3 298.298 3.132 20 0 CGADHM CCc1nnc([N-]c2c(F)ccc(F)c2C)s1 ZINC001216342875 815793127 /nfs/dbraw/zinc/79/31/27/815793127.db2.gz JDESRFUJYXRGLC-UHFFFAOYSA-N -1 3 255.293 3.431 20 0 CGADHM O=c1[n-]cncc1Nc1cccc(Cl)c1Cl ZINC001216442617 815830761 /nfs/dbraw/zinc/83/07/61/815830761.db2.gz INCILLJZGPIWIN-UHFFFAOYSA-N -1 3 256.092 3.233 20 0 CGADHM Cc1cccc(-c2noc(-c3cc(O)ccc3[O-])n2)c1F ZINC001216735797 815896060 /nfs/dbraw/zinc/89/60/60/815896060.db2.gz WTCIMKYJQWSMPY-UHFFFAOYSA-N -1 3 286.262 3.262 20 0 CGADHM CCOc1cccc(-c2nc(-c3ccnc(C)c3)no2)c1[O-] ZINC001216955702 815902757 /nfs/dbraw/zinc/90/27/57/815902757.db2.gz AMZWXNICVKSBKB-UHFFFAOYSA-N -1 3 297.314 3.211 20 0 CGADHM COc1c(F)c(C)ccc1-c1ccc(C)c(-c2nnn[n-]2)c1 ZINC001222323981 816408684 /nfs/dbraw/zinc/40/86/84/816408684.db2.gz ZGWAXTBZJUGBKK-UHFFFAOYSA-N -1 3 298.321 3.298 20 0 CGADHM COc1c(F)c(C)ccc1-c1ccc(C)c(-c2nn[n-]n2)c1 ZINC001222323981 816408688 /nfs/dbraw/zinc/40/86/88/816408688.db2.gz ZGWAXTBZJUGBKK-UHFFFAOYSA-N -1 3 298.321 3.298 20 0 CGADHM FC(F)(F)c1ccc(-c2ccc(=S)[n-]n2)c(Cl)n1 ZINC001243036126 823218500 /nfs/dbraw/zinc/21/85/00/823218500.db2.gz SPGVLCMOPUQFGN-UHFFFAOYSA-N -1 3 291.685 3.500 20 0 CGADHM O=c1c(-c2ccc(F)c([O-])c2)cccn1-c1ccc(F)cc1 ZINC001243046402 823224064 /nfs/dbraw/zinc/22/40/64/823224064.db2.gz GQQJZTLEXJMYAE-UHFFFAOYSA-N -1 3 299.276 3.488 20 0 CGADHM CC(=O)O[C@@H]1Cc2ccc(-c3ccc(F)c([O-])c3)cc2C1 ZINC001243047373 823224597 /nfs/dbraw/zinc/22/45/97/823224597.db2.gz CERAIRMRYABQDD-OAHLLOKOSA-N -1 3 286.302 3.229 20 0 CGADHM [O-]c1cc(-c2cccnc2OC(F)F)ccc1F ZINC001243048348 823225758 /nfs/dbraw/zinc/22/57/58/823225758.db2.gz XLKLCSWYFBHAMK-UHFFFAOYSA-N -1 3 255.195 3.195 20 0 CGADHM O=C(c1ccccc1-c1ccc(F)c([O-])c1)N1CCCC1 ZINC001243048508 823226046 /nfs/dbraw/zinc/22/60/46/823226046.db2.gz GZADFXLJHHMGMI-UHFFFAOYSA-N -1 3 285.318 3.434 20 0 CGADHM [O-]c1cc(-c2ccc(C3OCCO3)cc2)ccc1F ZINC001243049500 823226948 /nfs/dbraw/zinc/22/69/48/823226948.db2.gz OQIKXUOPIJMOFY-UHFFFAOYSA-N -1 3 260.264 3.244 20 0 CGADHM CC1(C)C(=O)Nc2ccc(-c3ccc(F)c([O-])c3)cc21 ZINC001243051972 823228415 /nfs/dbraw/zinc/22/84/15/823228415.db2.gz RFTGWBGIWOHRHT-UHFFFAOYSA-N -1 3 271.291 3.428 20 0 CGADHM CCOC(=O)c1cc(C)cnc1-c1ccc(F)c([O-])c1 ZINC001243053886 823229400 /nfs/dbraw/zinc/22/94/00/823229400.db2.gz HYAMVTWUALZTGV-UHFFFAOYSA-N -1 3 275.279 3.078 20 0 CGADHM Nc1cc(-c2ccc(F)c([O-])c2)ncc1C(F)(F)F ZINC001243054955 823229755 /nfs/dbraw/zinc/22/97/55/823229755.db2.gz VVLMMPCUOCPKLR-UHFFFAOYSA-N -1 3 272.201 3.194 20 0 CGADHM CCOC(=O)c1cc(C)nc(-c2ccc(F)c([O-])c2)c1 ZINC001243054824 823230028 /nfs/dbraw/zinc/23/00/28/823230028.db2.gz UUSJFPDYZLSCNR-UHFFFAOYSA-N -1 3 275.279 3.078 20 0 CGADHM Clc1ccc(-c2ccccc2-c2nnn[n-]2)c(Cl)n1 ZINC001243085493 823241311 /nfs/dbraw/zinc/24/13/11/823241311.db2.gz GQGNYELPKIRCTG-UHFFFAOYSA-N -1 3 292.129 3.236 20 0 CGADHM Clc1ccc(-c2ccccc2-c2nn[n-]n2)c(Cl)n1 ZINC001243085493 823241312 /nfs/dbraw/zinc/24/13/12/823241312.db2.gz GQGNYELPKIRCTG-UHFFFAOYSA-N -1 3 292.129 3.236 20 0 CGADHM Cc1ccc2c(c1)[C@H](Oc1[n-]c(=S)ncc1C)CC2 ZINC001225739658 817162854 /nfs/dbraw/zinc/16/28/54/817162854.db2.gz SKEAQIRJKQUPEZ-CYBMUJFWSA-N -1 3 272.373 3.448 20 0 CGADHM FC(F)(F)c1cc(OC2CCCC2)nc(=S)[n-]1 ZINC001225852340 817196206 /nfs/dbraw/zinc/19/62/06/817196206.db2.gz GHTBHDAJYUQWKU-UHFFFAOYSA-N -1 3 264.272 3.106 20 0 CGADHM COc1ccc([C@H](C)Oc2cc(C(C)=O)ccc2[O-])cn1 ZINC001225995269 817243999 /nfs/dbraw/zinc/24/39/99/817243999.db2.gz PMEBBVGCUBYUCR-NSHDSACASA-N -1 3 287.315 3.138 20 0 CGADHM F[C@H]1CCCC[C@@H]1Oc1[n-]c(=S)ncc1C1CC1 ZINC001226120784 817279800 /nfs/dbraw/zinc/27/98/00/817279800.db2.gz UFGRSVCBGFSNDE-QWRGUYRKSA-N -1 3 268.357 3.302 20 0 CGADHM C[C@H](Oc1cc(=O)[n-]c(-c2ccccc2)n1)C(F)(F)F ZINC001226183211 817292972 /nfs/dbraw/zinc/29/29/72/817292972.db2.gz SRGIYDOLKLWWDK-QMMMGPOBSA-N -1 3 284.237 3.179 20 0 CGADHM CCC[C@H](CC)Oc1c([O-])ccc(C(C)=O)c1O ZINC001226478401 817369810 /nfs/dbraw/zinc/36/98/10/817369810.db2.gz GJYAYAGCRKECHY-JTQLQIEISA-N -1 3 252.310 3.258 20 0 CGADHM C[C@@H]1CC[C@H](Oc2c([O-])ccc3ccc(=O)oc32)C1 ZINC001226596621 817409293 /nfs/dbraw/zinc/40/92/93/817409293.db2.gz NECVXGXUZKVRRS-KOLCDFICSA-N -1 3 260.289 3.066 20 0 CGADHM S=c1nccc(O[C@@H](c2ccccc2)C2CC2)[n-]1 ZINC001226937643 817509825 /nfs/dbraw/zinc/50/98/25/817509825.db2.gz RKEQFTZFUBNNMQ-ZDUSSCGKSA-N -1 3 258.346 3.295 20 0 CGADHM C[C@@H](Oc1ccnc(=S)[n-]1)c1cccc(F)c1F ZINC001226940374 817511403 /nfs/dbraw/zinc/51/14/03/817511403.db2.gz PXGYJLLBEDGUNH-SSDOTTSWSA-N -1 3 268.288 3.184 20 0 CGADHM C[C@@H](Oc1ccnc(=S)[n-]1)c1ccc(F)c(F)c1 ZINC001226940688 817511725 /nfs/dbraw/zinc/51/17/25/817511725.db2.gz TWQQJPQNLYNKCA-SSDOTTSWSA-N -1 3 268.288 3.184 20 0 CGADHM C[C@H](Oc1cnc[n-]c1=O)c1ccccc1Br ZINC001227048550 817543501 /nfs/dbraw/zinc/54/35/01/817543501.db2.gz GKDMREVYJUZNLU-QMMMGPOBSA-N -1 3 295.136 3.085 20 0 CGADHM CCc1cnc(=S)[n-]c1O[C@@H](C(C)=O)c1ccccc1 ZINC001227061657 817546639 /nfs/dbraw/zinc/54/66/39/817546639.db2.gz LNHGKQBQENERFJ-ZDUSSCGKSA-N -1 3 288.372 3.037 20 0 CGADHM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1ccc(=O)[n-]n1 ZINC001227096124 817556370 /nfs/dbraw/zinc/55/63/70/817556370.db2.gz XWQOSFLOEVUQGR-GRYCIOLGSA-N -1 3 250.342 3.022 20 0 CGADHM C[C@@H](Oc1ccc(=O)[n-]n1)c1ccc(Br)cc1 ZINC001227094476 817556461 /nfs/dbraw/zinc/55/64/61/817556461.db2.gz GCFVUVHHAIZNHP-MRVPVSSYSA-N -1 3 295.136 3.085 20 0 CGADHM CC[C@@H](Oc1[nH]c(=S)nc2nc[n-]c21)c1ccccc1 ZINC001227613107 817681305 /nfs/dbraw/zinc/68/13/05/817681305.db2.gz RIUJOZLYPGGZSW-SNVBAGLBSA-N -1 3 286.360 3.172 20 0 CGADHM COC(=O)c1ccc([O-])c(O[C@H]2CCCc3ccccc32)n1 ZINC001227819784 817726652 /nfs/dbraw/zinc/72/66/52/817726652.db2.gz HOHJZVMHOMMETA-HNNXBMFYSA-N -1 3 299.326 3.030 20 0 CGADHM CCCC(=O)[C@H](CCC)Oc1ncc(Cl)cc1[O-] ZINC001227981520 817771134 /nfs/dbraw/zinc/77/11/34/817771134.db2.gz XFJVWVNJVPDENP-LBPRGKRZSA-N -1 3 271.744 3.357 20 0 CGADHM C[C@H](COc1ncc(Cl)cc1[O-])Oc1ccccc1 ZINC001227983973 817772598 /nfs/dbraw/zinc/77/25/98/817772598.db2.gz XXPDGHAAVQDOMB-SNVBAGLBSA-N -1 3 279.723 3.287 20 0 CGADHM Cc1cccc2c1CC[C@@H]2Oc1[n-]c(=O)nc2cccnc21 ZINC001228001517 817779327 /nfs/dbraw/zinc/77/93/27/817779327.db2.gz ZUEXFAHSYILWRO-AWEZNQCLSA-N -1 3 293.326 3.105 20 0 CGADHM CC[C@H](Oc1[n-]c(=O)nc2cccnc21)c1ccccc1F ZINC001228003615 817780661 /nfs/dbraw/zinc/78/06/61/817780661.db2.gz BNGZGNKVSYPXBU-ZDUSSCGKSA-N -1 3 299.305 3.400 20 0 CGADHM CCCc1c([O-])ccc(C(C)=O)c1OC1CN(C(C)C)C1 ZINC001228133460 817820222 /nfs/dbraw/zinc/82/02/22/817820222.db2.gz HBFRXOWURUQDQX-UHFFFAOYSA-N -1 3 291.391 3.019 20 0 CGADHM COC[C@H](C)Oc1cc(C(=O)c2ccccc2)ccc1[O-] ZINC001228151783 817825331 /nfs/dbraw/zinc/82/53/31/817825331.db2.gz HWXYHALCRNYOIT-LBPRGKRZSA-N -1 3 286.327 3.037 20 0 CGADHM CC/C=C(\C)[C@@H](CC)Oc1n[n-]c(-c2ccncc2)n1 ZINC001228700685 817979354 /nfs/dbraw/zinc/97/93/54/817979354.db2.gz WJXGABCHPOAWIA-ASJRZHAZSA-N -1 3 272.352 3.380 20 0 CGADHM CC(C)=CCC[C@H](C)Oc1n[n-]c(-c2ccncc2)n1 ZINC001228700882 817980303 /nfs/dbraw/zinc/98/03/03/817980303.db2.gz ZEOPOMUOOOEZPD-LBPRGKRZSA-N -1 3 272.352 3.380 20 0 CGADHM CC1(C)[C@@H]2C[C@@H](Oc3cc4c(cc3[O-])CCC4=O)C[C@@H]21 ZINC001228853363 818023130 /nfs/dbraw/zinc/02/31/30/818023130.db2.gz ILKRGUNGYSAKCX-UOJUARBOSA-N -1 3 272.344 3.335 20 0 CGADHM C[C@H](COc1cc2c(cc1[O-])CCC2=O)Oc1ccccc1 ZINC001228853931 818024297 /nfs/dbraw/zinc/02/42/97/818024297.db2.gz MTAQFYBRURTAEC-GFCCVEGCSA-N -1 3 298.338 3.367 20 0 CGADHM CC[C@@H]1CCCC[C@H]1Oc1cccc(-c2nnn[n-]2)c1 ZINC001231118960 818036334 /nfs/dbraw/zinc/03/63/34/818036334.db2.gz XMSQFVXJTQYKKJ-BXUZGUMPSA-N -1 3 272.352 3.214 20 0 CGADHM CC[C@@H]1CCCC[C@H]1Oc1cccc(-c2nn[n-]n2)c1 ZINC001231118960 818036342 /nfs/dbraw/zinc/03/63/42/818036342.db2.gz XMSQFVXJTQYKKJ-BXUZGUMPSA-N -1 3 272.352 3.214 20 0 CGADHM COc1ccc([C@@H](C)Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC001231118629 818036619 /nfs/dbraw/zinc/03/66/19/818036619.db2.gz SKFSNTKNTYMYPK-LLVKDONJSA-N -1 3 296.330 3.015 20 0 CGADHM COc1ccc([C@@H](C)Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC001231118629 818036628 /nfs/dbraw/zinc/03/66/28/818036628.db2.gz SKFSNTKNTYMYPK-LLVKDONJSA-N -1 3 296.330 3.015 20 0 CGADHM COC[C@H]1CCCCN1Cc1ccc(Cl)c([O-])c1 ZINC001231733269 818161395 /nfs/dbraw/zinc/16/13/95/818161395.db2.gz PXPCJOXDBBCAQE-GFCCVEGCSA-N -1 3 269.772 3.047 20 0 CGADHM CCN(Cc1cccnc1)Cc1ccc(Cl)c([O-])c1 ZINC001231734392 818164400 /nfs/dbraw/zinc/16/44/00/818164400.db2.gz XHCWIRMHVJEXAZ-UHFFFAOYSA-N -1 3 276.767 3.463 20 0 CGADHM C[C@H]1CCN(Cc2ccc(F)c([O-])c2F)[C@@H](C)C1 ZINC001232934924 818477459 /nfs/dbraw/zinc/47/74/59/818477459.db2.gz LGIBOZZEQKPTPT-UWVGGRQHSA-N -1 3 255.308 3.291 20 0 CGADHM C[C@H]1CN(Cc2ccc(F)c([O-])c2F)C2(CC2)C1 ZINC001232940387 818479710 /nfs/dbraw/zinc/47/97/10/818479710.db2.gz PDJDPEJCHNHVNF-SECBINFHSA-N -1 3 253.292 3.045 20 0 CGADHM C[C@H]1CCCN(Cc2cc([O-])c(F)c(F)c2)[C@H]1C ZINC001232971633 818487055 /nfs/dbraw/zinc/48/70/55/818487055.db2.gz OUTKIUKYIIWOLU-UWVGGRQHSA-N -1 3 255.308 3.291 20 0 CGADHM C[C@H]1CCN(Cc2cc(Cl)ncc2[O-])[C@@H](C)C1 ZINC001233035162 818506419 /nfs/dbraw/zinc/50/64/19/818506419.db2.gz YRLGZERFZLGFSB-UWVGGRQHSA-N -1 3 254.761 3.061 20 0 CGADHM [O-]c1cccc(CN2CC(c3ccccc3)C2)c1F ZINC001233054853 818512119 /nfs/dbraw/zinc/51/21/19/818512119.db2.gz ANXRFPLYQAMHEK-UHFFFAOYSA-N -1 3 257.308 3.131 20 0 CGADHM COc1ccc(CN(C)CC(F)(F)F)c(Cl)c1[O-] ZINC001233398129 818610111 /nfs/dbraw/zinc/61/01/11/818610111.db2.gz ZRORVFNOHTYTGU-UHFFFAOYSA-N -1 3 283.677 3.048 20 0 CGADHM C[C@@H]1C[C@@H](C)CCN1Cc1c(F)ccc([O-])c1F ZINC001233395537 818608910 /nfs/dbraw/zinc/60/89/10/818608910.db2.gz ARPVGBZHESSJLQ-VHSXEESVSA-N -1 3 255.308 3.291 20 0 CGADHM CN(Cc1c(F)ccc([O-])c1F)C[C@H]1CC1(C)C ZINC001233396189 818611081 /nfs/dbraw/zinc/61/10/81/818611081.db2.gz ONFXCJAYQOMBFR-SECBINFHSA-N -1 3 255.308 3.148 20 0 CGADHM Cc1cc([O-])c(Cl)cc1O[C@@H]1CCCCC1=O ZINC001233596210 818654132 /nfs/dbraw/zinc/65/41/32/818654132.db2.gz WMTQQTSHXATWQC-GFCCVEGCSA-N -1 3 254.713 3.245 20 0 CGADHM CC(C)Oc1cc(COc2cccc([O-])c2F)ccn1 ZINC001233869877 818721054 /nfs/dbraw/zinc/72/10/54/818721054.db2.gz MRRRZIDGGRGKGV-UHFFFAOYSA-N -1 3 277.295 3.293 20 0 CGADHM CC[C@H](Oc1cccc([O-])c1C(N)=O)c1ccccc1F ZINC001234150949 818793260 /nfs/dbraw/zinc/79/32/60/818793260.db2.gz YPOFGFOIXRVHCQ-ZDUSSCGKSA-N -1 3 289.306 3.160 20 0 CGADHM COC[C@H](C)OC[C@H](C)Oc1c([O-])cc(Cl)cc1F ZINC001234443500 818855950 /nfs/dbraw/zinc/85/59/50/818855950.db2.gz HOMLPCUGEZUITF-IUCAKERBSA-N -1 3 292.734 3.004 20 0 CGADHM COc1cc([O-])c(C)c(O[C@@H]2CCC[C@@H]2C)c1C(C)=O ZINC001234791573 818924770 /nfs/dbraw/zinc/92/47/70/818924770.db2.gz PGZILJFNCQTOTC-TVQRCGJNSA-N -1 3 278.348 3.479 20 0 CGADHM COc1cc([O-])c(C)c(O[C@@H](C)C2CC2)c1C(C)=O ZINC001234792364 818924868 /nfs/dbraw/zinc/92/48/68/818924868.db2.gz ZNBALJSQUOWQRM-JTQLQIEISA-N -1 3 264.321 3.089 20 0 CGADHM COC(=O)c1ccnc(-c2cc([O-])cc(Cl)c2)c1C ZINC001235899034 819208937 /nfs/dbraw/zinc/20/89/37/819208937.db2.gz ARFCLOHIQNELNX-UHFFFAOYSA-N -1 3 277.707 3.203 20 0 CGADHM [O-]c1cc(Cl)cc(-c2ncnc3sncc32)c1 ZINC001235898799 819209460 /nfs/dbraw/zinc/20/94/60/819209460.db2.gz MQQSEESOOUATMZ-UHFFFAOYSA-N -1 3 263.709 3.112 20 0 CGADHM COc1cnc(SC)nc1-c1cc([O-])cc(Cl)c1 ZINC001235899993 819209774 /nfs/dbraw/zinc/20/97/74/819209774.db2.gz RDHCWDTZTLHJTK-UHFFFAOYSA-N -1 3 282.752 3.233 20 0 CGADHM [O-]c1cc(Cl)cc(-c2nccnc2OC2CCC2)c1 ZINC001235900453 819210590 /nfs/dbraw/zinc/21/05/90/819210590.db2.gz OALUJMUDVUVWEN-UHFFFAOYSA-N -1 3 276.723 3.434 20 0 CGADHM COC(=O)c1cnc(-c2cc([O-])cc(Cl)c2)c(F)c1 ZINC001235901831 819212515 /nfs/dbraw/zinc/21/25/15/819212515.db2.gz YJVFUDFWLZAAHO-UHFFFAOYSA-N -1 3 281.670 3.033 20 0 CGADHM COCOc1ccc(-c2ccc3c(c2)[N-]C(=S)C3)cn1 ZINC001235965156 819252742 /nfs/dbraw/zinc/25/27/42/819252742.db2.gz QMQLMCWCDYLQEN-UHFFFAOYSA-N -1 3 286.356 3.027 20 0 CGADHM [O-]c1cc(CN2CCCC23CC3)ccc1Br ZINC001236693232 819575238 /nfs/dbraw/zinc/57/52/38/819575238.db2.gz XCAVFPKBHQIYBL-UHFFFAOYSA-N -1 3 282.181 3.283 20 0 CGADHM [S-]c1ccoc1CN1CCOC[C@H]1Cc1ccccc1 ZINC001237185717 819691350 /nfs/dbraw/zinc/69/13/50/819691350.db2.gz HCQATWLEFLTWFK-CQSZACIVSA-N -1 3 289.400 3.012 20 0 CGADHM C[C@@H]1C(=O)CCN(Cc2cc([O-])cc(F)c2)C12CCCC2 ZINC001237285900 819716876 /nfs/dbraw/zinc/71/68/76/819716876.db2.gz DSDJTCZTQDHERG-GFCCVEGCSA-N -1 3 291.366 3.255 20 0 CGADHM COc1ccc2c(c1)ncnc2-c1cccc([O-])c1F ZINC001243543228 823436823 /nfs/dbraw/zinc/43/68/23/823436823.db2.gz RTYOLVYCCLNQCZ-UHFFFAOYSA-N -1 3 270.263 3.150 20 0 CGADHM O=c1ccc2ccc(-c3cccc([O-])c3F)cc2o1 ZINC001243545941 823438106 /nfs/dbraw/zinc/43/81/06/823438106.db2.gz RQLDQGCFSGSZLG-UHFFFAOYSA-N -1 3 256.232 3.305 20 0 CGADHM CC(=O)Nc1ccc(-c2cccc([O-])c2F)c(F)c1 ZINC001243547104 823439826 /nfs/dbraw/zinc/43/98/26/823439826.db2.gz LVWIFRKBCRUDGZ-UHFFFAOYSA-N -1 3 263.243 3.296 20 0 CGADHM O=C1CC[C@@H](c2ccc(-c3cccc([O-])c3F)cc2)N1 ZINC001243549206 823440770 /nfs/dbraw/zinc/44/07/70/823440770.db2.gz QAFKZWUIQKVKBG-ZDUSSCGKSA-N -1 3 271.291 3.149 20 0 CGADHM S=c1ccc(-c2ccc(C3CCOCC3)cc2)n[n-]1 ZINC001243627832 823471112 /nfs/dbraw/zinc/47/11/12/823471112.db2.gz IMWDHDCVALWHHA-UHFFFAOYSA-N -1 3 272.373 3.326 20 0 CGADHM CCc1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC001239743915 820565682 /nfs/dbraw/zinc/56/56/82/820565682.db2.gz IYWVJPWCKNTFPN-UHFFFAOYSA-N -1 3 250.305 3.096 20 0 CGADHM CCc1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC001239743915 820565688 /nfs/dbraw/zinc/56/56/88/820565688.db2.gz IYWVJPWCKNTFPN-UHFFFAOYSA-N -1 3 250.305 3.096 20 0 CGADHM CN(C)C(=O)c1cccc(-c2ccc3c(c2)[N-]C(=S)C3)c1 ZINC001239925304 820703183 /nfs/dbraw/zinc/70/31/83/820703183.db2.gz SDILFSKTUWELHE-UHFFFAOYSA-N -1 3 296.395 3.351 20 0 CGADHM Fc1ccc2[nH]ccc2c1-c1ccccc1-c1nnn[n-]1 ZINC001240215701 820885780 /nfs/dbraw/zinc/88/57/80/820885780.db2.gz KGPFZZYYMULDMC-UHFFFAOYSA-N -1 3 279.278 3.154 20 0 CGADHM Fc1ccc2[nH]ccc2c1-c1ccccc1-c1nn[n-]n1 ZINC001240215701 820885791 /nfs/dbraw/zinc/88/57/91/820885791.db2.gz KGPFZZYYMULDMC-UHFFFAOYSA-N -1 3 279.278 3.154 20 0 CGADHM Fc1ccc(-c2nnn[n-]2)cc1-c1c2cc[nH]c2ccc1F ZINC001240220066 820897774 /nfs/dbraw/zinc/89/77/74/820897774.db2.gz UUPTZBMBBNKLQF-UHFFFAOYSA-N -1 3 297.268 3.293 20 0 CGADHM Fc1ccc(-c2nn[n-]n2)cc1-c1c2cc[nH]c2ccc1F ZINC001240220066 820897785 /nfs/dbraw/zinc/89/77/85/820897785.db2.gz UUPTZBMBBNKLQF-UHFFFAOYSA-N -1 3 297.268 3.293 20 0 CGADHM Fc1ccc(-c2nnn[n-]2)cc1-c1ccc2ncsc2c1 ZINC001240347305 820983078 /nfs/dbraw/zinc/98/30/78/820983078.db2.gz YXIAIXBFHZIGKO-UHFFFAOYSA-N -1 3 297.318 3.283 20 0 CGADHM Fc1ccc(-c2nn[n-]n2)cc1-c1ccc2ncsc2c1 ZINC001240347305 820983081 /nfs/dbraw/zinc/98/30/81/820983081.db2.gz YXIAIXBFHZIGKO-UHFFFAOYSA-N -1 3 297.318 3.283 20 0 CGADHM Cc1sccc1-c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001240500822 821097630 /nfs/dbraw/zinc/09/76/30/821097630.db2.gz AOHYDHLXQWYOIL-UHFFFAOYSA-N -1 3 260.297 3.043 20 0 CGADHM Cc1sccc1-c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001240500822 821097640 /nfs/dbraw/zinc/09/76/40/821097640.db2.gz AOHYDHLXQWYOIL-UHFFFAOYSA-N -1 3 260.297 3.043 20 0 CGADHM Cc1cc(F)cc(-c2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC001240595056 821176377 /nfs/dbraw/zinc/17/63/77/821176377.db2.gz CAVJQGZWEZKWCK-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM Cc1cc(F)cc(-c2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC001240595056 821176384 /nfs/dbraw/zinc/17/63/84/821176384.db2.gz CAVJQGZWEZKWCK-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM Cn1c(=O)c(-c2cc(F)ccc2[O-])cc2ccccc21 ZINC001240697122 821253711 /nfs/dbraw/zinc/25/37/11/821253711.db2.gz HCUXBKYQLYUTKQ-UHFFFAOYSA-N -1 3 269.275 3.050 20 0 CGADHM COc1cc(C(=O)[O-])ccc1-c1ccc2c(c1)CN(C)CC2 ZINC001240738996 821291525 /nfs/dbraw/zinc/29/15/25/821291525.db2.gz VMKRWXCUFCYRER-UHFFFAOYSA-N -1 3 297.354 3.048 20 0 CGADHM [O-]c1ccc(-c2ccc(CN3CCOCC3)cc2)cc1F ZINC001240785891 821325499 /nfs/dbraw/zinc/32/54/99/821325499.db2.gz RYOQXRFQJFZBOU-UHFFFAOYSA-N -1 3 287.334 3.031 20 0 CGADHM O=C1Nc2c(cccc2-c2ccc([O-])c(F)c2)C12CC2 ZINC001240786595 821326504 /nfs/dbraw/zinc/32/65/04/821326504.db2.gz PIVKBCSGYHXKCZ-UHFFFAOYSA-N -1 3 269.275 3.182 20 0 CGADHM [O-]c1ccc(-c2ccnc(OCC3CC3)c2)cc1F ZINC001240791273 821335954 /nfs/dbraw/zinc/33/59/54/821335954.db2.gz XOWIQNBRHBZWGY-UHFFFAOYSA-N -1 3 259.280 3.382 20 0 CGADHM c1cnc2cccc(-c3cccc(-c4nnn[n-]4)c3)c2c1 ZINC001240939756 821431085 /nfs/dbraw/zinc/43/10/85/821431085.db2.gz JSZHDYLTLDFNNE-UHFFFAOYSA-N -1 3 273.299 3.082 20 0 CGADHM c1cnc2cccc(-c3cccc(-c4nn[n-]n4)c3)c2c1 ZINC001240939756 821431088 /nfs/dbraw/zinc/43/10/88/821431088.db2.gz JSZHDYLTLDFNNE-UHFFFAOYSA-N -1 3 273.299 3.082 20 0 CGADHM COc1cc2ncnc(-c3ccccc3[O-])c2c(OC)c1 ZINC001241003814 821483015 /nfs/dbraw/zinc/48/30/15/821483015.db2.gz USUXAAQJUYZGNS-UHFFFAOYSA-N -1 3 282.299 3.020 20 0 CGADHM CCOc1ccc2ncnc(-c3ccccc3[O-])c2c1 ZINC001241003673 821483534 /nfs/dbraw/zinc/48/35/34/821483534.db2.gz SDKWCIXIRGQFRB-UHFFFAOYSA-N -1 3 266.300 3.401 20 0 CGADHM Oc1ccccc1-c1cc(C(F)(F)F)[n-]c(=S)n1 ZINC001241007465 821484033 /nfs/dbraw/zinc/48/40/33/821484033.db2.gz CKABYJZVPSGFFJ-UHFFFAOYSA-N -1 3 272.251 3.157 20 0 CGADHM CCOc1nnc(-c2ccccc2[O-])c2ccccc21 ZINC001241009228 821486651 /nfs/dbraw/zinc/48/66/51/821486651.db2.gz OBYZLZPUWRAGGS-UHFFFAOYSA-N -1 3 266.300 3.401 20 0 CGADHM CCOc1cc(-c2ccc(-c3nnn[n-]3)cc2)ccc1F ZINC001241069266 821538210 /nfs/dbraw/zinc/53/82/10/821538210.db2.gz UZSDINGXZCGTSJ-UHFFFAOYSA-N -1 3 284.294 3.072 20 0 CGADHM CCOc1cc(-c2ccc(-c3nn[n-]n3)cc2)ccc1F ZINC001241069266 821538214 /nfs/dbraw/zinc/53/82/14/821538214.db2.gz UZSDINGXZCGTSJ-UHFFFAOYSA-N -1 3 284.294 3.072 20 0 CGADHM Fc1cc(F)c(-c2cc(-c3nnn[n-]3)ccc2F)c(F)c1 ZINC001241172798 821616215 /nfs/dbraw/zinc/61/62/15/821616215.db2.gz YQDRTZUJYRLTOT-UHFFFAOYSA-N -1 3 294.211 3.090 20 0 CGADHM Fc1cc(F)c(-c2cc(-c3nn[n-]n3)ccc2F)c(F)c1 ZINC001241172798 821616217 /nfs/dbraw/zinc/61/62/17/821616217.db2.gz YQDRTZUJYRLTOT-UHFFFAOYSA-N -1 3 294.211 3.090 20 0 CGADHM CCOC(=O)c1ccc(C)c(-c2cc([O-])cc(F)c2)n1 ZINC001241257064 821677073 /nfs/dbraw/zinc/67/70/73/821677073.db2.gz FUKOQUJNHHKJPG-UHFFFAOYSA-N -1 3 275.279 3.078 20 0 CGADHM Cc1nc(C2CC2)nc(-c2cc([O-])cc(F)c2)c1F ZINC001241261185 821680334 /nfs/dbraw/zinc/68/03/34/821680334.db2.gz GOWXTTVRSPGTGI-UHFFFAOYSA-N -1 3 262.259 3.313 20 0 CGADHM COC(=O)c1c(F)cc(-c2cc([O-])cc(F)c2)cc1F ZINC001241271829 821689702 /nfs/dbraw/zinc/68/97/02/821689702.db2.gz KZVOVWGIZFBZQN-UHFFFAOYSA-N -1 3 282.217 3.263 20 0 CGADHM CCOC(=O)c1cc(-c2cc([O-])cc(F)c2)cnc1C ZINC001241271865 821690252 /nfs/dbraw/zinc/69/02/52/821690252.db2.gz UZSTWOCZDUDYQH-UHFFFAOYSA-N -1 3 275.279 3.078 20 0 CGADHM COC(=O)c1cc2[nH]ccc2cc1-c1cc([O-])cc(F)c1 ZINC001241272711 821690931 /nfs/dbraw/zinc/69/09/31/821690931.db2.gz XIFNMSCANFZVBO-UHFFFAOYSA-N -1 3 285.274 3.466 20 0 CGADHM C[S@](=N)(=O)c1ccc(-c2cc([O-])cc(F)c2)cc1 ZINC001241278247 821696243 /nfs/dbraw/zinc/69/62/43/821696243.db2.gz ZBTOMHRKGRYBMD-SFHVURJKSA-N -1 3 265.309 3.234 20 0 CGADHM COC(=O)c1cc(F)cc(-c2cc([O-])cc(F)c2)c1C ZINC001241277355 821696540 /nfs/dbraw/zinc/69/65/40/821696540.db2.gz JKIBSVSTOHKSGJ-UHFFFAOYSA-N -1 3 278.254 3.432 20 0 CGADHM COC(=O)c1c(F)ccc(-c2cc([O-])cc(F)c2)c1OC ZINC001241281989 821700841 /nfs/dbraw/zinc/70/08/41/821700841.db2.gz GFPXYKJDHFYFKP-UHFFFAOYSA-N -1 3 294.253 3.133 20 0 CGADHM COC(=O)c1ccc(F)cc1-c1c(F)ccc([O-])c1F ZINC001241292411 821709130 /nfs/dbraw/zinc/70/91/30/821709130.db2.gz DALULQUCBRRUBE-UHFFFAOYSA-N -1 3 282.217 3.263 20 0 CGADHM COc1nc(OC)c(-c2c(F)ccc([O-])c2F)cc1C ZINC001241295446 821713954 /nfs/dbraw/zinc/71/39/54/821713954.db2.gz RNVVIQYAZHITCA-UHFFFAOYSA-N -1 3 281.258 3.058 20 0 CGADHM Fc1ccc(-c2ccc3ncccc3c2)cc1-c1nnn[n-]1 ZINC001241399363 821797351 /nfs/dbraw/zinc/79/73/51/821797351.db2.gz PXJLVFBKHPCPCT-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Fc1ccc(-c2ccc3ncccc3c2)cc1-c1nn[n-]n1 ZINC001241399363 821797354 /nfs/dbraw/zinc/79/73/54/821797354.db2.gz PXJLVFBKHPCPCT-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM FC(F)Oc1ccccc1-c1ccc(-c2nnn[n-]2)cc1 ZINC001241444299 821838751 /nfs/dbraw/zinc/83/87/51/821838751.db2.gz RGNCPIHDAUWXOY-UHFFFAOYSA-N -1 3 288.257 3.135 20 0 CGADHM FC(F)Oc1ccccc1-c1ccc(-c2nn[n-]n2)cc1 ZINC001241444299 821838758 /nfs/dbraw/zinc/83/87/58/821838758.db2.gz RGNCPIHDAUWXOY-UHFFFAOYSA-N -1 3 288.257 3.135 20 0 CGADHM CC(C)(C)c1cccc(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC001241445876 821840935 /nfs/dbraw/zinc/84/09/35/821840935.db2.gz ZULPIHYCYUHGNT-UHFFFAOYSA-N -1 3 279.347 3.226 20 0 CGADHM CC(C)(C)c1cccc(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC001241445876 821840941 /nfs/dbraw/zinc/84/09/41/821840941.db2.gz ZULPIHYCYUHGNT-UHFFFAOYSA-N -1 3 279.347 3.226 20 0 CGADHM Cc1ccc(-c2ccc3n[nH]cc3c2C)cc1-c1nn[n-]n1 ZINC001241476247 821875407 /nfs/dbraw/zinc/87/54/07/821875407.db2.gz ASKHBSLHCJWMDE-UHFFFAOYSA-N -1 3 290.330 3.027 20 0 CGADHM Cn1ccc2c1cccc2-c1ccccc1-c1nnn[n-]1 ZINC001241821366 822162888 /nfs/dbraw/zinc/16/28/88/822162888.db2.gz DSUVEMURSNQFKH-UHFFFAOYSA-N -1 3 275.315 3.025 20 0 CGADHM Cn1ccc2c1cccc2-c1ccccc1-c1nn[n-]n1 ZINC001241821366 822162892 /nfs/dbraw/zinc/16/28/92/822162892.db2.gz DSUVEMURSNQFKH-UHFFFAOYSA-N -1 3 275.315 3.025 20 0 CGADHM Oc1ccc(C(F)(F)F)cc1-c1ccc(=S)[n-]n1 ZINC001242134064 822889344 /nfs/dbraw/zinc/88/93/44/822889344.db2.gz QMEAMMSUCKCFEL-UHFFFAOYSA-N -1 3 272.251 3.157 20 0 CGADHM CCc1ncc(-c2ccc([O-])c(C(F)(F)F)c2)cn1 ZINC001242158174 822899111 /nfs/dbraw/zinc/89/91/11/822899111.db2.gz SAAIMVAKCCDDNB-UHFFFAOYSA-N -1 3 268.238 3.430 20 0 CGADHM Cc1c(-c2ccc([O-])c(C(F)(F)F)c2)ccc2ncnn21 ZINC001242158409 822899411 /nfs/dbraw/zinc/89/94/11/822899411.db2.gz WTEQHTIZWVBSGY-UHFFFAOYSA-N -1 3 293.248 3.429 20 0 CGADHM Cc1nc2cc(-c3ccc([O-])c(C(F)(F)F)c3)ccn2n1 ZINC001242162393 822900102 /nfs/dbraw/zinc/90/01/02/822900102.db2.gz NTOGLVZFGNEEHR-UHFFFAOYSA-N -1 3 293.248 3.429 20 0 CGADHM NC(=O)c1ccc(F)cc1-c1ccc([O-])c(C(F)(F)F)c1 ZINC001242166087 822900876 /nfs/dbraw/zinc/90/08/76/822900876.db2.gz MUAKKPDWCCDWDS-UHFFFAOYSA-N -1 3 299.223 3.316 20 0 CGADHM COCOc1ccc(-c2ccc([O-])c(C(F)(F)F)c2)cn1 ZINC001242168630 822900899 /nfs/dbraw/zinc/90/08/99/822900899.db2.gz RRPZSVVTPVKSPL-UHFFFAOYSA-N -1 3 299.248 3.456 20 0 CGADHM O=c1cc(-c2ccc(F)cc2[O-])ccn1-c1ccccc1F ZINC001242219413 822915745 /nfs/dbraw/zinc/91/57/45/822915745.db2.gz SCFBHCQJGVZKDB-UHFFFAOYSA-N -1 3 299.276 3.488 20 0 CGADHM Nc1nc2ccc(-c3ccc(F)cc3[O-])cc2s1 ZINC001242218635 822915889 /nfs/dbraw/zinc/91/58/89/822915889.db2.gz IPDBPWUZXUFSLY-UHFFFAOYSA-N -1 3 260.293 3.390 20 0 CGADHM Cc1ncc2ccc(-c3ccc(F)cc3[O-])cc2n1 ZINC001242218672 822915925 /nfs/dbraw/zinc/91/59/25/822915925.db2.gz KPZKBSZBFNTXNZ-UHFFFAOYSA-N -1 3 254.264 3.450 20 0 CGADHM O=c1ccc2cc(-c3ccc(F)cc3[O-])ccc2o1 ZINC001242220755 822916994 /nfs/dbraw/zinc/91/69/94/822916994.db2.gz OMXOCGJRPZRJEQ-UHFFFAOYSA-N -1 3 256.232 3.305 20 0 CGADHM Cc1cc(-c2nnn[n-]2)ccc1C1=CCC(F)(F)CC1 ZINC001242236171 822920807 /nfs/dbraw/zinc/92/08/07/822920807.db2.gz IIDHHAQCZBPSDW-UHFFFAOYSA-N -1 3 276.290 3.378 20 0 CGADHM Cc1cc(-c2nn[n-]n2)ccc1C1=CCC(F)(F)CC1 ZINC001242236171 822920808 /nfs/dbraw/zinc/92/08/08/822920808.db2.gz IIDHHAQCZBPSDW-UHFFFAOYSA-N -1 3 276.290 3.378 20 0 CGADHM Cc1c(F)cc(-c2ccc(F)c(-c3nnn[n-]3)c2)cc1F ZINC001242288982 822939986 /nfs/dbraw/zinc/93/99/86/822939986.db2.gz YPJBTQDTYQOSDE-UHFFFAOYSA-N -1 3 290.248 3.259 20 0 CGADHM Cc1c(F)cc(-c2ccc(F)c(-c3nn[n-]n3)c2)cc1F ZINC001242288982 822939987 /nfs/dbraw/zinc/93/99/87/822939987.db2.gz YPJBTQDTYQOSDE-UHFFFAOYSA-N -1 3 290.248 3.259 20 0 CGADHM O=C1CCc2cc(-c3cccc(F)c3[O-])ccc2O1 ZINC001242350299 822960410 /nfs/dbraw/zinc/96/04/10/822960410.db2.gz BFDGLGNMCBEBLG-UHFFFAOYSA-N -1 3 258.248 3.050 20 0 CGADHM CC(=O)Nc1ccc(-c2cccc(F)c2[O-])c(C)c1 ZINC001242351175 822961255 /nfs/dbraw/zinc/96/12/55/822961255.db2.gz PJSZQXPVXSDRSF-UHFFFAOYSA-N -1 3 259.280 3.465 20 0 CGADHM [O-]c1c(F)cccc1-c1ccccc1C1OCCO1 ZINC001242350899 822961453 /nfs/dbraw/zinc/96/14/53/822961453.db2.gz OIEKLBFPJKHQKD-UHFFFAOYSA-N -1 3 260.264 3.244 20 0 CGADHM CCOC(=O)c1ccc(-c2cccc(F)c2[O-])cc1 ZINC001242351851 822961711 /nfs/dbraw/zinc/96/17/11/822961711.db2.gz XOKFXAZVJSGOEP-UHFFFAOYSA-N -1 3 260.264 3.375 20 0 CGADHM COC(=O)c1cc2cccc(-c3cccc(F)c3[O-])c2[nH]1 ZINC001242351753 822961752 /nfs/dbraw/zinc/96/17/52/822961752.db2.gz RJLKRYHPKUSIJU-UHFFFAOYSA-N -1 3 285.274 3.466 20 0 CGADHM Cc1cc(-c2ccc(C)c(-c3nnn[n-]3)c2)c(C)o1 ZINC001242406812 822983489 /nfs/dbraw/zinc/98/34/89/822983489.db2.gz CYDIKZDIPNXPQJ-UHFFFAOYSA-N -1 3 254.293 3.052 20 0 CGADHM Cc1cc(-c2ccc(C)c(-c3nn[n-]n3)c2)c(C)o1 ZINC001242406812 822983493 /nfs/dbraw/zinc/98/34/93/822983493.db2.gz CYDIKZDIPNXPQJ-UHFFFAOYSA-N -1 3 254.293 3.052 20 0 CGADHM CCc1ncccc1-c1cc(C(F)(F)F)[n-]c(=S)n1 ZINC001242521713 823018073 /nfs/dbraw/zinc/01/80/73/823018073.db2.gz VSUKNKNGVDJFFC-UHFFFAOYSA-N -1 3 285.294 3.409 20 0 CGADHM CC(C)c1nnc([N-][C@H](c2cnn(C)c2)c2ccccc2)o1 ZINC001344112363 936526449 /nfs/dbraw/zinc/52/64/49/936526449.db2.gz CUDSHBDCXYRDGY-AWEZNQCLSA-N -1 3 297.362 3.128 20 0 CGADHM Cc1cnc([C@@H](C)NCc2ccc([O-])c(F)c2)s1 ZINC000232423291 928206561 /nfs/dbraw/zinc/20/65/61/928206561.db2.gz FKLMEDPUJBEGBS-SECBINFHSA-N -1 3 266.341 3.147 20 0 CGADHM Cc1cccc([O-])c1C(=O)NCCCSCC(C)C ZINC001545837227 937247850 /nfs/dbraw/zinc/24/78/50/937247850.db2.gz RYLUUWMEKIRKAW-UHFFFAOYSA-N -1 3 281.421 3.210 20 0 CGADHM O=C(Nc1cccc([O-])c1F)C12CC(C(F)(F)F)(C1)C2 ZINC001545835949 937247865 /nfs/dbraw/zinc/24/78/65/937247865.db2.gz VVFGSPYGTNTJNQ-UHFFFAOYSA-N -1 3 289.228 3.202 20 0 CGADHM O=c1nc(Cl)cc(Sc2c(F)cc(F)cc2F)[n-]1 ZINC001434441152 937249057 /nfs/dbraw/zinc/24/90/57/937249057.db2.gz NHFCGKZBBGQYQJ-UHFFFAOYSA-N -1 3 292.669 3.404 20 0 CGADHM [O-]c1cccc(CN2CCO[C@H](C3CC3)CC2)c1Cl ZINC001551245430 928830660 /nfs/dbraw/zinc/83/06/60/928830660.db2.gz ZTLOAQITNDVYNB-AWEZNQCLSA-N -1 3 281.783 3.047 20 0 CGADHM Cc1cocc1C(=O)Nc1ccc(Br)cc1[O-] ZINC001441340562 937337558 /nfs/dbraw/zinc/33/75/58/937337558.db2.gz INTWHFITELYYQC-UHFFFAOYSA-N -1 3 296.120 3.308 20 0 CGADHM CC(=O)c1ccc(C(=O)N2CCc3cccc(C)c32)cc1[O-] ZINC001444943078 937354599 /nfs/dbraw/zinc/35/45/99/937354599.db2.gz DRKHUXIVRWSZJE-UHFFFAOYSA-N -1 3 295.338 3.106 20 0 CGADHM COC(=O)c1cc(NC(=O)c2c(C)cccc2[O-])ccc1C ZINC001445409473 937357425 /nfs/dbraw/zinc/35/74/25/937357425.db2.gz FWUVYJVRHZPBEH-UHFFFAOYSA-N -1 3 299.326 3.048 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])c1ccc2cnccc2c1 ZINC001447284545 937367499 /nfs/dbraw/zinc/36/74/99/937367499.db2.gz AXBFSURLQUYTNI-UHFFFAOYSA-N -1 3 282.274 3.332 20 0 CGADHM CC(C)CC(CC(C)C)C(=O)Nc1ncccc1[O-] ZINC001447588260 937369940 /nfs/dbraw/zinc/36/99/40/937369940.db2.gz SNZHOSVMVSKKEX-UHFFFAOYSA-N -1 3 264.369 3.434 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2cc3c(cccc3C)o2)n1 ZINC001448632507 937375639 /nfs/dbraw/zinc/37/56/39/937375639.db2.gz PDQVYHUENYLXFS-UHFFFAOYSA-N -1 3 282.299 3.403 20 0 CGADHM CC[C@@H](CNc1ccccc1)NC(=O)c1c(C)cccc1[O-] ZINC001457817537 937446579 /nfs/dbraw/zinc/44/65/79/937446579.db2.gz XFXIBNMJORBVEL-AWEZNQCLSA-N -1 3 298.386 3.321 20 0 CGADHM Cc1csc2[n-]c(=S)nc(OCCOC(C)C)c12 ZINC001229354307 932136250 /nfs/dbraw/zinc/13/62/50/932136250.db2.gz VSSABFNYCJMVEX-UHFFFAOYSA-N -1 3 284.406 3.092 20 0 CGADHM CCC[C@H](C)[C@H](CC)Oc1ccccc1-c1nnn[n-]1 ZINC001229950939 932507544 /nfs/dbraw/zinc/50/75/44/932507544.db2.gz OQZBCVLOUWOTMY-AAEUAGOBSA-N -1 3 274.368 3.460 20 0 CGADHM CCC[C@H](C)[C@H](CC)Oc1ccccc1-c1nn[n-]n1 ZINC001229950939 932507548 /nfs/dbraw/zinc/50/75/48/932507548.db2.gz OQZBCVLOUWOTMY-AAEUAGOBSA-N -1 3 274.368 3.460 20 0 CGADHM CC1(C)CCC[C@@H](Oc2ccccc2-c2nnn[n-]2)C1 ZINC001229953437 932507747 /nfs/dbraw/zinc/50/77/47/932507747.db2.gz BLLTYLQYXUATLS-LLVKDONJSA-N -1 3 272.352 3.214 20 0 CGADHM CC1(C)CCC[C@@H](Oc2ccccc2-c2nn[n-]n2)C1 ZINC001229953437 932507750 /nfs/dbraw/zinc/50/77/50/932507750.db2.gz BLLTYLQYXUATLS-LLVKDONJSA-N -1 3 272.352 3.214 20 0 CGADHM C[C@@H]1C[C@@H](Oc2ccccc2-c2nnn[n-]2)CC(C)(C)C1 ZINC001229955289 932509933 /nfs/dbraw/zinc/50/99/33/932509933.db2.gz SWPAPOCGWJWLDM-VXGBXAGGSA-N -1 3 286.379 3.460 20 0 CGADHM C[C@@H]1C[C@@H](Oc2ccccc2-c2nn[n-]n2)CC(C)(C)C1 ZINC001229955289 932509936 /nfs/dbraw/zinc/50/99/36/932509936.db2.gz SWPAPOCGWJWLDM-VXGBXAGGSA-N -1 3 286.379 3.460 20 0 CGADHM CC1(C)CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001231072254 932671559 /nfs/dbraw/zinc/67/15/59/932671559.db2.gz BCOMTOSCIPOYMZ-UHFFFAOYSA-N -1 3 272.352 3.214 20 0 CGADHM CCCC/C=C/[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001231076138 932672908 /nfs/dbraw/zinc/67/29/08/932672908.db2.gz IPOAUDBCKWXYPX-NNNHXZLVSA-N -1 3 272.352 3.380 20 0 CGADHM Cc1ccc([C@H](C)Oc2[n-]c(=O)nc3cccc(F)c32)cn1 ZINC001231075237 932673290 /nfs/dbraw/zinc/67/32/90/932673290.db2.gz YLJVCUNGPMRGIN-JTQLQIEISA-N -1 3 299.305 3.318 20 0 CGADHM Cc1nc(Cl)cc(NCCc2c(F)cc([O-])cc2F)n1 ZINC001307216574 932779865 /nfs/dbraw/zinc/77/98/65/932779865.db2.gz XGVSFQOXEKWBPV-UHFFFAOYSA-N -1 3 299.708 3.077 20 0 CGADHM [O-]c1ccc(CN2CCSC[C@H]2C2CCC2)c(F)c1F ZINC001462382635 937636786 /nfs/dbraw/zinc/63/67/86/937636786.db2.gz ICUWDIDYLMLVBF-LBPRGKRZSA-N -1 3 299.386 3.388 20 0 CGADHM O=S(=O)([N-][C@]12C[C@H]1CCCC2)c1ccc(Cl)s1 ZINC001464251833 937687995 /nfs/dbraw/zinc/68/79/95/937687995.db2.gz AWPZLYMONSLRKK-LDYMZIIASA-N -1 3 291.825 3.013 20 0 CGADHM CC1(C)CC(C(=O)[N-]O[C@@H]2CCCCO2)CC(C)(C)C1 ZINC001464562830 937692413 /nfs/dbraw/zinc/69/24/13/937692413.db2.gz JFNIMPZBGQDCBC-CYBMUJFWSA-N -1 3 283.412 3.413 20 0 CGADHM CC(C)COC1CN(C(=O)c2cc([O-])c3ccccc3c2)C1 ZINC001465493408 937701390 /nfs/dbraw/zinc/70/13/90/937701390.db2.gz VHEWSYUAEWNEPC-UHFFFAOYSA-N -1 3 299.370 3.042 20 0 CGADHM Cc1cccc([O-])c1C(=O)Nc1cc(Cl)ccc1O ZINC001466257974 937707259 /nfs/dbraw/zinc/70/72/59/937707259.db2.gz MQZSXPBJQAENOF-UHFFFAOYSA-N -1 3 277.707 3.312 20 0 CGADHM CC(C)c1nc(C(=O)Nc2cc(Cl)ccc2[O-])c[nH]1 ZINC001318670946 933761645 /nfs/dbraw/zinc/76/16/45/933761645.db2.gz OTDQXRACRJUHJO-UHFFFAOYSA-N -1 3 279.727 3.144 20 0 CGADHM O=C(Nc1n[nH]cc1C1CC1)c1cc2sccc2c([O-])c1 ZINC001469396349 937739077 /nfs/dbraw/zinc/73/90/77/937739077.db2.gz LCQMKIJTVJRTQU-UHFFFAOYSA-N -1 3 299.355 3.460 20 0 CGADHM Cc1cccc([O-])c1C(=O)N[C@@H]1Cc2ccccc2[C@@H]1C ZINC001469936464 937745803 /nfs/dbraw/zinc/74/58/03/937745803.db2.gz AFKFBIPOUGFXCL-SWLSCSKDSA-N -1 3 281.355 3.159 20 0 CGADHM O=C(NCC1(c2ccccc2F)CCC1)c1ccccc1[O-] ZINC001469779173 937743702 /nfs/dbraw/zinc/74/37/02/937743702.db2.gz JDDKBOFZMVFOMD-UHFFFAOYSA-N -1 3 299.345 3.383 20 0 CGADHM CSc1ccc([O-])c(C(=O)NCCCC2CCC2)c1 ZINC001470217916 937749729 /nfs/dbraw/zinc/74/97/29/937749729.db2.gz LKIWHWMYVPYSSS-UHFFFAOYSA-N -1 3 279.405 3.424 20 0 CGADHM CCc1cccc(C(=O)Nc2cccc3ocnc32)c1[O-] ZINC001471033831 937760780 /nfs/dbraw/zinc/76/07/80/937760780.db2.gz JFJRZEMRKMTHNF-UHFFFAOYSA-N -1 3 282.299 3.348 20 0 CGADHM CC(C)(C)c1ccc(CNC(=O)c2ccccc2[O-])o1 ZINC001471186624 937762367 /nfs/dbraw/zinc/76/23/67/937762367.db2.gz KVBBSDQUMWYFAW-UHFFFAOYSA-N -1 3 273.332 3.213 20 0 CGADHM Cc1ccc(C(=O)N[C@H]2c3ccccc3CC[C@H]2F)c([O-])c1 ZINC001471501622 937766403 /nfs/dbraw/zinc/76/64/03/937766403.db2.gz AANJBDQACGRJKI-WBVHZDCISA-N -1 3 299.345 3.456 20 0 CGADHM CSc1ccc([O-])c(C(=O)NC[C@]2(C)CC2(C)C)c1 ZINC001471618747 937767789 /nfs/dbraw/zinc/76/77/89/937767789.db2.gz CUMBZQHEFQXGTN-HNNXBMFYSA-N -1 3 279.405 3.280 20 0 CGADHM O=c1cc(CNc2nc3ccccc3s2)nc(C2CC2)[n-]1 ZINC001472877853 937787585 /nfs/dbraw/zinc/78/75/85/937787585.db2.gz DXXRYGAMRSVJKQ-UHFFFAOYSA-N -1 3 298.371 3.281 20 0 CGADHM c1nn(Cc2cccnc2)cc1[N-]c1nc2ccccc2o1 ZINC001325218332 934895317 /nfs/dbraw/zinc/89/53/17/934895317.db2.gz GCZXNKLCCZWQEX-UHFFFAOYSA-N -1 3 291.314 3.211 20 0 CGADHM CC(=O)[C@@H](C)CCOC(=O)c1cc2sccc2c([O-])c1 ZINC001327483780 935063359 /nfs/dbraw/zinc/06/33/59/935063359.db2.gz SIOCAJSFOBAUSU-VIFPVBQESA-N -1 3 292.356 3.379 20 0 CGADHM CC(C)[C@@H](C)OC(=O)CCCc1ccc([O-])c(F)c1 ZINC001329440267 935215698 /nfs/dbraw/zinc/21/56/98/935215698.db2.gz RQUYMOWHTTYRFO-LLVKDONJSA-N -1 3 268.328 3.442 20 0 CGADHM Cc1nn(C)c(C)c1N[C@@H](C)c1cccc([O-])c1F ZINC001332232904 935451311 /nfs/dbraw/zinc/45/13/11/935451311.db2.gz SUNXPJRPVPUKKK-QMMMGPOBSA-N -1 3 263.316 3.055 20 0 CGADHM Cc1nc(CN2[C@H](C)C[C@H](C)[C@H](C(=O)[O-])[C@H]2C)c(C)s1 ZINC001334739811 936110905 /nfs/dbraw/zinc/11/09/05/936110905.db2.gz YQYLKMDJLYIRIO-KSQLKPTDSA-N -1 3 296.436 3.080 20 0 CGADHM CCC[C@@H](C)CC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC001475631534 936225953 /nfs/dbraw/zinc/22/59/53/936225953.db2.gz SSWQFNAMHCTDSH-SNVBAGLBSA-N -1 3 291.363 3.069 20 0 CGADHM O=c1[n-]c([C@H]2CCCO2)nc2cc(-c3ccccc3)oc21 ZINC001337676674 936279197 /nfs/dbraw/zinc/27/91/97/936279197.db2.gz YBBRLPMVDGKYMP-GFCCVEGCSA-N -1 3 282.299 3.035 20 0 CGADHM Cc1cc(=O)[n-]c(NC2CCC(OC(C)(C)C)CC2)n1 ZINC001338063954 936304459 /nfs/dbraw/zinc/30/44/59/936304459.db2.gz OFDCPRQCLIQJTK-UHFFFAOYSA-N -1 3 279.384 3.029 20 0 CGADHM Cc1cccc([C@@H](C)N2Cc3nc(C4CC4)[n-]c(=O)c3C2)c1 ZINC001473765419 937820811 /nfs/dbraw/zinc/82/08/11/937820811.db2.gz GHSFCBSDKTWDBD-GFCCVEGCSA-N -1 3 295.386 3.445 20 0 CGADHM C[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)C1(C)CC1 ZINC001514817814 938003085 /nfs/dbraw/zinc/00/30/85/938003085.db2.gz YYEBBTLVMOBGPB-NSHDSACASA-N -1 3 279.355 3.159 20 0 CGADHM Cc1cscc1[N-]C(=O)c1ocnc1C(F)F ZINC001519936613 938021710 /nfs/dbraw/zinc/02/17/10/938021710.db2.gz PESDBKFOLZIQPD-UHFFFAOYSA-N -1 3 258.249 3.234 20 0 CGADHM CC(C)n1cc(OC(=O)c2cccc(Cl)c2[O-])cn1 ZINC001526900292 938058642 /nfs/dbraw/zinc/05/86/42/938058642.db2.gz MBEHCGOFUBSFLH-UHFFFAOYSA-N -1 3 280.711 3.042 20 0 CGADHM O=C([N-]c1c(F)ccnc1F)c1cc2occc2s1 ZINC001527566754 938062318 /nfs/dbraw/zinc/06/23/18/938062318.db2.gz OASJCGJFKCKYEN-UHFFFAOYSA-N -1 3 280.255 3.420 20 0 CGADHM CO[C@@H](CNC(=O)c1cc2sccc2c([O-])c1)C(C)C ZINC001544718458 938146700 /nfs/dbraw/zinc/14/67/00/938146700.db2.gz GLHHJSNSRARZFI-ZDUSSCGKSA-N -1 3 293.388 3.008 20 0 CGADHM CCSCC[C@H](C)NC(=O)c1cc(SC)ccc1[O-] ZINC001544743922 938146858 /nfs/dbraw/zinc/14/68/58/938146858.db2.gz VWXDSEONVVEDCI-JTQLQIEISA-N -1 3 299.461 3.376 20 0 CGADHM O=C([N-]c1c(F)ccnc1F)c1nccc2ccsc21 ZINC001544858519 938147487 /nfs/dbraw/zinc/14/74/87/938147487.db2.gz NSDUSVIWTMLWEI-UHFFFAOYSA-N -1 3 291.282 3.222 20 0 CGADHM O=C([O-])[C@H]1CN(Cc2ccc(Cl)cc2F)C[C@H]1C1CC1 ZINC001549115963 938155456 /nfs/dbraw/zinc/15/54/56/938155456.db2.gz HTKMBAQWSLZMTM-STQMWFEESA-N -1 3 297.757 3.022 20 0 CGADHM O=C(Cc1cccc([O-])c1F)N1CCCC[C@H]1C1CCC1 ZINC001549438131 938157295 /nfs/dbraw/zinc/15/72/95/938157295.db2.gz CRNCJFAEBYBWJI-AWEZNQCLSA-N -1 3 291.366 3.255 20 0 CGADHM Nc1ccc(C(=O)N[C@@H]2CCC[C@H]2c2ccccc2)c([O-])c1 ZINC001550090942 938162727 /nfs/dbraw/zinc/16/27/27/938162727.db2.gz SIKXTTJKJXPWPX-GOEBONIOSA-N -1 3 296.370 3.041 20 0 CGADHM Cc1cccc2c1ncc(C)c2N1CC[C@H]2[C@@H](C(=O)[O-])[C@H]2C1 ZINC001550917811 938172642 /nfs/dbraw/zinc/17/26/42/938172642.db2.gz XXDVSUKBQMMDDD-VHDGCEQUSA-N -1 3 296.370 3.009 20 0 CGADHM Cc1cccc([O-])c1C(=O)N[C@H]1C[C@@H]1c1cccc(F)c1 ZINC001556470351 938203861 /nfs/dbraw/zinc/20/38/61/938203861.db2.gz CKFHPHVEHXOLCW-KGLIPLIRSA-N -1 3 285.318 3.126 20 0 CGADHM Cc1cccc(C(=O)Nc2nc(C(C)C)co2)c1[O-] ZINC001556683109 938205033 /nfs/dbraw/zinc/20/50/33/938205033.db2.gz USPHPKDKPFWONH-UHFFFAOYSA-N -1 3 260.293 3.064 20 0 CGADHM O=C(Nc1[nH][n-]c2cc(=O)ccc1-2)c1csc(Cl)c1 ZINC001556723106 938205453 /nfs/dbraw/zinc/20/54/53/938205453.db2.gz RKABHWXWNGVTKT-UHFFFAOYSA-N -1 3 293.735 3.236 20 0 CGADHM CCNc1ncc(C(=O)Nc2c([O-])cccc2Cl)s1 ZINC001556784149 938205637 /nfs/dbraw/zinc/20/56/37/938205637.db2.gz LWRSHKPLGPYCDM-UHFFFAOYSA-N -1 3 297.767 3.186 20 0 CGADHM O=C(Nc1c([O-])cccc1Cl)c1cc2ncccc2o1 ZINC001556785585 938205817 /nfs/dbraw/zinc/20/58/17/938205817.db2.gz YRVNJEREMGHKAB-UHFFFAOYSA-N -1 3 288.690 3.439 20 0 CGADHM COc1ccc(C(=O)NCC2(C3CCC3)CCC2)c([O-])c1 ZINC001556933475 938206784 /nfs/dbraw/zinc/20/67/84/938206784.db2.gz XOETTXLNSJMAAD-UHFFFAOYSA-N -1 3 289.375 3.101 20 0 CGADHM CCc1ccc(C(=O)NCC[C@@H]2CC[C@H]3C[C@H]32)c([O-])c1 ZINC001558388958 938215125 /nfs/dbraw/zinc/21/51/25/938215125.db2.gz HVANAMPRYBWGMV-YDHLFZDLSA-N -1 3 273.376 3.121 20 0 CGADHM C[C@@H]1CN(Cc2ccc([O-])c(F)c2)c2ccccc2O1 ZINC001560734682 938272875 /nfs/dbraw/zinc/27/28/75/938272875.db2.gz PPPYMSDDBWAHGW-LLVKDONJSA-N -1 3 273.307 3.319 20 0 CGADHM CN(Cc1ccc(F)cc1)Cc1ccc(C(=O)[O-])cc1 ZINC000037918834 948847768 /nfs/dbraw/zinc/84/77/68/948847768.db2.gz BRVVXTSXCIJRIY-UHFFFAOYSA-N -1 3 273.307 3.156 20 0 CGADHM C[C@]1(C(=O)[O-])CCCN1Cc1cc(Cl)cc(Cl)c1 ZINC000086816113 949069061 /nfs/dbraw/zinc/06/90/61/949069061.db2.gz LPKDEETVHWNSAK-CYBMUJFWSA-N -1 3 288.174 3.433 20 0 CGADHM O=C([O-])CCCCCN[C@@H]1COCc2cccc(Cl)c21 ZINC001595037536 951409978 /nfs/dbraw/zinc/40/99/78/951409978.db2.gz CARZJZPZBLNXLN-CYBMUJFWSA-N -1 3 297.782 3.146 20 0 CGADHM CCN(CC)[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC000037361161 957271165 /nfs/dbraw/zinc/27/11/65/957271165.db2.gz LPQQWBLIHVWSGA-NSHDSACASA-N -1 3 276.163 3.461 20 0 CGADHM CSc1ccc(CNCc2cccc(C(=O)[O-])c2)s1 ZINC001594193281 959176357 /nfs/dbraw/zinc/17/63/57/959176357.db2.gz CAVYDPMBPCDYFG-UHFFFAOYSA-N -1 3 293.413 3.458 20 0 CGADHM C[C@@]1(C(=O)[O-])CCCN(Cc2cccc(F)c2Cl)C1 ZINC000166460176 959309879 /nfs/dbraw/zinc/30/98/79/959309879.db2.gz ZKVSLIICCUUFCU-CQSZACIVSA-N -1 3 285.746 3.166 20 0 CGADHM C[C@@H](NCc1ccc(C(=O)[O-])s1)c1ccsc1 ZINC000235222140 960400544 /nfs/dbraw/zinc/40/05/44/960400544.db2.gz PRQMBSXYLSGKQG-MRVPVSSYSA-N -1 3 267.375 3.359 20 0 CGADHM CO[C@@H](C)CN(Cc1c(Cl)cccc1C(=O)[O-])C(C)C ZINC001599037600 960538325 /nfs/dbraw/zinc/53/83/25/960538325.db2.gz JEKHRKJDQJULNY-NSHDSACASA-N -1 3 299.798 3.284 20 0 CGADHM COC(C)(C)CN(C)C(=O)c1cc2sccc2c([O-])c1 ZINC001566393551 960929072 /nfs/dbraw/zinc/92/90/72/960929072.db2.gz JSKIMDUGICRRNH-UHFFFAOYSA-N -1 3 293.388 3.104 20 0 CGADHM C/C(=C/c1ccccc1Cl)C(=O)Nc1ncccc1[O-] ZINC001567486193 961351048 /nfs/dbraw/zinc/35/10/48/961351048.db2.gz ZJLXINXLJJTLJG-KTKRTIGZSA-N -1 3 288.734 3.483 20 0 CGADHM COc1ccc(C(=O)Nc2cccc(C(C)=O)c2[O-])cc1C ZINC001569927643 961876902 /nfs/dbraw/zinc/87/69/02/961876902.db2.gz GBMKWCPCFYAKHW-UHFFFAOYSA-N -1 3 299.326 3.164 20 0 CGADHM Cc1cccc(C2(NC(=O)c3ccc(O)cc3[O-])CCC2)c1 ZINC001570673765 962029776 /nfs/dbraw/zinc/02/97/76/962029776.db2.gz MDMWVVHKUSRDEP-UHFFFAOYSA-N -1 3 297.354 3.215 20 0 CGADHM CC(C)(C)c1ccc(-c2nnn[n-]2)c(O[C@@H]2C=CCCC2)n1 ZINC001573881407 962285985 /nfs/dbraw/zinc/28/59/85/962285985.db2.gz DUKJNVJLHCVOFX-LLVKDONJSA-N -1 3 299.378 3.047 20 0 CGADHM CC(C)(C)c1ccc(-c2nn[n-]n2)c(O[C@@H]2C=CCCC2)n1 ZINC001573881407 962286003 /nfs/dbraw/zinc/28/60/03/962286003.db2.gz DUKJNVJLHCVOFX-LLVKDONJSA-N -1 3 299.378 3.047 20 0 CGADHM Cc1cc(CN[C@@H](C(=O)[O-])c2ccc(F)cc2)cs1 ZINC001574329512 962290376 /nfs/dbraw/zinc/29/03/76/962290376.db2.gz DPNLVBRQKMHEGH-CYBMUJFWSA-N -1 3 279.336 3.111 20 0 CGADHM CC1(C)CCCC[C@@H]1COc1ccc(-c2nn[n-]n2)cc1 ZINC001575689103 962412506 /nfs/dbraw/zinc/41/25/06/962412506.db2.gz YKKTUQFVPYWMOP-CYBMUJFWSA-N -1 3 286.379 3.462 20 0 CGADHM C[C@@H]1CCCC[C@@H]1CNc1cccc(F)c1-c1nnn[n-]1 ZINC001576171710 962436627 /nfs/dbraw/zinc/43/66/27/962436627.db2.gz RGPORRMIJSWGAJ-GHMZBOCLSA-N -1 3 289.358 3.244 20 0 CGADHM C[C@@H]1CCCC[C@@H]1CNc1cccc(F)c1-c1nn[n-]n1 ZINC001576171710 962436637 /nfs/dbraw/zinc/43/66/37/962436637.db2.gz RGPORRMIJSWGAJ-GHMZBOCLSA-N -1 3 289.358 3.244 20 0 CGADHM C[C@@H]1CCC[C@H](COc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001576153967 962441748 /nfs/dbraw/zinc/44/17/48/962441748.db2.gz NXADHWJHOGGKKU-MNOVXSKESA-N -1 3 290.342 3.211 20 0 CGADHM C[C@@H]1CCC[C@H](COc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001576153967 962441763 /nfs/dbraw/zinc/44/17/63/962441763.db2.gz NXADHWJHOGGKKU-MNOVXSKESA-N -1 3 290.342 3.211 20 0 CGADHM CCCC[C@@H](N)C(=O)Nc1cc(Cl)cc(Cl)c1[O-] ZINC001577411895 962534555 /nfs/dbraw/zinc/53/45/55/962534555.db2.gz HNSOWXZOHIXXQG-SECBINFHSA-N -1 3 291.178 3.155 20 0 CGADHM CNc1ccc(OC(=O)c2cccc(Cl)c2[O-])cc1 ZINC001578759911 962602939 /nfs/dbraw/zinc/60/29/39/962602939.db2.gz BOMJRTDZXXEFGI-UHFFFAOYSA-N -1 3 277.707 3.307 20 0 CGADHM Cc1ccccc1CSCc1cc(-c2nnn[n-]2)ccn1 ZINC001581260551 962748491 /nfs/dbraw/zinc/74/84/91/962748491.db2.gz SKIUGERRCRLQBL-UHFFFAOYSA-N -1 3 297.387 3.004 20 0 CGADHM Cc1ccccc1CSCc1cc(-c2nn[n-]n2)ccn1 ZINC001581260551 962748504 /nfs/dbraw/zinc/74/85/04/962748504.db2.gz SKIUGERRCRLQBL-UHFFFAOYSA-N -1 3 297.387 3.004 20 0 CGADHM Cc1cc(SCC(C)(C)C(C)C)c(-c2nnn[n-]2)cn1 ZINC001581043686 962752271 /nfs/dbraw/zinc/75/22/71/962752271.db2.gz OPEHTVMLFALMQL-UHFFFAOYSA-N -1 3 291.424 3.344 20 0 CGADHM Cc1cc(SCC(C)(C)C(C)C)c(-c2nn[n-]n2)cn1 ZINC001581043686 962752280 /nfs/dbraw/zinc/75/22/80/962752280.db2.gz OPEHTVMLFALMQL-UHFFFAOYSA-N -1 3 291.424 3.344 20 0 CGADHM Fc1cc(NC2CCCCCC2)cc(-c2nnn[n-]2)c1 ZINC001581853105 962753084 /nfs/dbraw/zinc/75/30/84/962753084.db2.gz LIFAWMDZXOYNFK-UHFFFAOYSA-N -1 3 275.331 3.141 20 0 CGADHM Fc1cc(NC2CCCCCC2)cc(-c2nn[n-]n2)c1 ZINC001581853105 962753103 /nfs/dbraw/zinc/75/31/03/962753103.db2.gz LIFAWMDZXOYNFK-UHFFFAOYSA-N -1 3 275.331 3.141 20 0 CGADHM Cc1cccc([C@@H](C)Sc2ccncc2-c2nnn[n-]2)c1 ZINC001581233633 962753159 /nfs/dbraw/zinc/75/31/59/962753159.db2.gz VEJQRGBTIASDPY-LLVKDONJSA-N -1 3 297.387 3.423 20 0 CGADHM Cc1cccc([C@@H](C)Sc2ccncc2-c2nn[n-]n2)c1 ZINC001581233633 962753172 /nfs/dbraw/zinc/75/31/72/962753172.db2.gz VEJQRGBTIASDPY-LLVKDONJSA-N -1 3 297.387 3.423 20 0 CGADHM CC(C)c1ccc(C(=O)NC2(C)CC=CC2)c([O-])c1 ZINC001583204469 962778096 /nfs/dbraw/zinc/77/80/96/962778096.db2.gz QZAKTCUXHFHPST-UHFFFAOYSA-N -1 3 259.349 3.354 20 0 CGADHM O=C([N-]c1c(F)cccc1NC1CC1)c1cc(Cl)no1 ZINC001587409014 963196246 /nfs/dbraw/zinc/19/62/46/963196246.db2.gz PEQUDVKZGMXCER-UHFFFAOYSA-N -1 3 295.701 3.294 20 0 CGADHM c1cc(S[C@@H]2C=CCCCCC2)c(-c2nnn[n-]2)cn1 ZINC001588388512 963271307 /nfs/dbraw/zinc/27/13/07/963271307.db2.gz LICNEOGOKCSZJV-LLVKDONJSA-N -1 3 287.392 3.243 20 0 CGADHM c1cc(S[C@@H]2C=CCCCCC2)c(-c2nn[n-]n2)cn1 ZINC001588388512 963271322 /nfs/dbraw/zinc/27/13/22/963271322.db2.gz LICNEOGOKCSZJV-LLVKDONJSA-N -1 3 287.392 3.243 20 0 CGADHM CC(C)(C)CNc1cccc(C(F)F)c1-c1nnn[n-]1 ZINC001589130257 963348221 /nfs/dbraw/zinc/34/82/21/963348221.db2.gz AXCBCRTZTSVPPT-UHFFFAOYSA-N -1 3 281.310 3.262 20 0 CGADHM CC(C)(C)CNc1cccc(C(F)F)c1-c1nn[n-]n1 ZINC001589130257 963348233 /nfs/dbraw/zinc/34/82/33/963348233.db2.gz AXCBCRTZTSVPPT-UHFFFAOYSA-N -1 3 281.310 3.262 20 0 CGADHM CC(C)=CCSCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001589379897 963986611 /nfs/dbraw/zinc/98/66/11/963986611.db2.gz FKOFIVAPCFASLB-UHFFFAOYSA-N -1 3 278.356 3.205 20 0 CGADHM CC(C)=CCSCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001589379897 963986622 /nfs/dbraw/zinc/98/66/22/963986622.db2.gz FKOFIVAPCFASLB-UHFFFAOYSA-N -1 3 278.356 3.205 20 0 CGADHM CC(C)CN(c1ccc(-c2nn[n-]n2)cc1)[C@@H]1C=CCCC1 ZINC001589628891 964007141 /nfs/dbraw/zinc/00/71/41/964007141.db2.gz PSGGDNLTTOITRJ-OAHLLOKOSA-N -1 3 297.406 3.438 20 0 CGADHM C[C@H](CN[C@@H](C)c1ncc(C(=O)[O-])s1)CC(F)(F)F ZINC000396963472 972955264 /nfs/dbraw/zinc/95/52/64/972955264.db2.gz DPYYHGBBZCGXGA-BQBZGAKWSA-N -1 3 296.314 3.080 20 0 CGADHM CC(C)O[C@@H]1C[C@@H](N[C@H](C)c2cc(C(=O)[O-])co2)C1(C)C ZINC001591695792 975526214 /nfs/dbraw/zinc/52/62/14/975526214.db2.gz LDVIMXOAFBKRHE-LERXQTSPSA-N -1 3 295.379 3.221 20 0 CGADHM CCC(CC)N(Cn1nc(C(=O)[O-])c(Cl)c1C)C1CC1 ZINC001595117230 979481025 /nfs/dbraw/zinc/48/10/25/979481025.db2.gz UXZOPYPNBPYBKN-UHFFFAOYSA-N -1 3 299.802 3.154 20 0 CGADHM CC[C@@](C)(CC(=O)[O-])NCc1cc(-c2ccccc2)on1 ZINC001594825558 981986282 /nfs/dbraw/zinc/98/62/82/981986282.db2.gz ROSMCDQPXBVZON-INIZCTEOSA-N -1 3 288.347 3.075 20 0 CGADHM CCOc1c(Cl)cccc1CN1CCC[C@@H]1CC(=O)[O-] ZINC001596992236 986275808 /nfs/dbraw/zinc/27/58/08/986275808.db2.gz FCXXQBONCQZBPL-GFCCVEGCSA-N -1 3 297.782 3.178 20 0 CGADHM CCc1[nH]c(CN2CC3(CCC3)[C@H]2C(C)C)cc1C(=O)[O-] ZINC001597385066 987593416 /nfs/dbraw/zinc/59/34/16/987593416.db2.gz PYHLKVRTIMNOAZ-OAHLLOKOSA-N -1 3 290.407 3.286 20 0 CGADHM CCc1[nH]c(CN2CC[C@@H]3CCCC[C@H]3C2)cc1C(=O)[O-] ZINC001597385675 987596475 /nfs/dbraw/zinc/59/64/75/987596475.db2.gz WMWQYKCYBYEYKT-STQMWFEESA-N -1 3 290.407 3.287 20 0 CGADHM CC(C)(C)c1ccncc1CN[C@@H](C(=O)[O-])c1ccccc1 ZINC001590515295 990124356 /nfs/dbraw/zinc/12/43/56/990124356.db2.gz CMWNALOKDFANLJ-MRXNPFEDSA-N -1 3 298.386 3.295 20 0 CGADHM CC(C)[C@@H](c1ccccc1)N(C)Cc1oncc1C(=O)[O-] ZINC001591058631 991475197 /nfs/dbraw/zinc/47/51/97/991475197.db2.gz RRUVJUJMFUNSQH-HNNXBMFYSA-N -1 3 288.347 3.202 20 0 CGADHM C[C@H](N[C@@H](C(=O)[O-])c1ccc(F)cc1)c1ccsc1 ZINC001593196984 994159943 /nfs/dbraw/zinc/15/99/43/994159943.db2.gz XOQSSCBPBJEEOG-TVQRCGJNSA-N -1 3 279.336 3.364 20 0 CGADHM C[C@@H](N[C@H]1CCOC12CCCCC2)c1ccc(C(=O)[O-])o1 ZINC001593232239 994383783 /nfs/dbraw/zinc/38/37/83/994383783.db2.gz MYTWLPVYXRMEJB-RISCZKNCSA-N -1 3 293.363 3.120 20 0 CGADHM C[C@H](c1ncc(C(=O)[O-])s1)N1CC[C@@H](C2CCC2)C1 ZINC001593732111 996308171 /nfs/dbraw/zinc/30/81/71/996308171.db2.gz OCKRWBNWQLXEDR-MWLCHTKSSA-N -1 3 280.393 3.024 20 0 CGADHM COC[C@@H]1CCCCN1Cc1c(Cl)cccc1C(=O)[O-] ZINC001599203652 997363298 /nfs/dbraw/zinc/36/32/98/997363298.db2.gz UFGXIIRPXIUOOF-NSHDSACASA-N -1 3 297.782 3.039 20 0 CGADHM CO[C@@H]1CCN(Cc2cc(C(=O)[O-])ccc2Cl)[C@H](C)C1 ZINC001599123405 997785809 /nfs/dbraw/zinc/78/58/09/997785809.db2.gz KZHOYWJEXDPTRP-ZWNOBZJWSA-N -1 3 297.782 3.038 20 0 CGADHM O=C(c1cccc([O-])c1)N1CC2CC1(c1ccccc1)C2 ZINC000621015488 349444450 /nfs/dbraw/zinc/44/44/50/349444450.db2.gz GOXYDUUFNWMHDH-UHFFFAOYSA-N -1 3 279.339 3.154 20 0 CGADHM CCc1ccc(C(=O)N(C)C[C@@H]2CC2(C)C)c([O-])c1 ZINC000621044375 349449661 /nfs/dbraw/zinc/44/96/61/349449661.db2.gz QBFLJOZYMWAYCB-LBPRGKRZSA-N -1 3 261.365 3.073 20 0 CGADHM Cc1cc(C(=O)N2CCOc3ccccc3[C@H]2C)ccc1[O-] ZINC000621145687 349463624 /nfs/dbraw/zinc/46/36/24/349463624.db2.gz HCHFOWSJWPPJEV-CYBMUJFWSA-N -1 3 297.354 3.296 20 0 CGADHM Cc1ccc(NC(=O)[C@@H]2C[C@H]2C2CCCC2)c([O-])c1 ZINC000650998671 398192030 /nfs/dbraw/zinc/19/20/30/398192030.db2.gz HLWRFFACFOOIPW-QWHCGFSZSA-N -1 3 259.349 3.465 20 0 CGADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@@H]1C[C@H]1C ZINC000650946275 398184191 /nfs/dbraw/zinc/18/41/91/398184191.db2.gz LLYLJOIGOKZNNZ-HTRCEHHLSA-N -1 3 284.153 3.058 20 0 CGADHM CC(C)(C)c1ccc(NC(=O)[C@]2(C)CCCO2)c([O-])c1 ZINC000337663068 214204109 /nfs/dbraw/zinc/20/41/09/214204109.db2.gz RRGWRMGQMMNGDX-INIZCTEOSA-N -1 3 277.364 3.197 20 0 CGADHM CC(C)(O)C1CCC(C(=O)Nc2ccc([O-])cc2F)CC1 ZINC000651687892 398269620 /nfs/dbraw/zinc/26/96/20/398269620.db2.gz UKTZGVORGWFXDD-UHFFFAOYSA-N -1 3 295.354 3.047 20 0 CGADHM COc1ccccc1C(C)(C)NC(=O)c1cccc(C)c1[O-] ZINC000590684504 346863164 /nfs/dbraw/zinc/86/31/64/346863164.db2.gz SFPMLGXLLUDDSS-UHFFFAOYSA-N -1 3 299.370 3.374 20 0 CGADHM C[C@@H]1CCC[C@@H](CC(=O)N=c2cc(-c3ccncc3)[n-][nH]2)C1 ZINC000338099452 214398163 /nfs/dbraw/zinc/39/81/63/214398163.db2.gz PERKZIZSWNAJFS-CHWSQXEVSA-N -1 3 298.390 3.049 20 0 CGADHM CC[C@H](Cc1ccccc1)NC(=O)c1cc(C)ccc1[O-] ZINC000436528320 529430320 /nfs/dbraw/zinc/43/03/20/529430320.db2.gz HBKUZCKFRBETOX-OAHLLOKOSA-N -1 3 283.371 3.452 20 0 CGADHM CC(C)c1ccc(C(=O)N2CC(CC3CC3)C2)c([O-])c1 ZINC000622251503 349662224 /nfs/dbraw/zinc/66/22/24/349662224.db2.gz ZHNJMQLYXVDNMP-UHFFFAOYSA-N -1 3 273.376 3.388 20 0 CGADHM CCc1[n-][nH]c(=NC(=O)c2coc3c2cccc3C)c1C ZINC000425174000 529460183 /nfs/dbraw/zinc/46/01/83/529460183.db2.gz ZICQDJRSMCFDNJ-UHFFFAOYSA-N -1 3 283.331 3.009 20 0 CGADHM Cc1ccc(C(=O)NCc2ccc(Cl)cc2F)c([O-])c1 ZINC000622524887 349684936 /nfs/dbraw/zinc/68/49/36/349684936.db2.gz JXOJDUOMXMEFTC-UHFFFAOYSA-N -1 3 293.725 3.423 20 0 CGADHM CCN=c1[n-]c(C(=O)N[C@@H](C)CC2CCCCC2)cs1 ZINC000622561573 349686251 /nfs/dbraw/zinc/68/62/51/349686251.db2.gz IWUGLIDIUUGPPF-NSHDSACASA-N -1 3 295.452 3.086 20 0 CGADHM COC1(CNC(=O)c2ccc(C)cc2[O-])CCC(C)CC1 ZINC000622571420 349686827 /nfs/dbraw/zinc/68/68/27/349686827.db2.gz UAQBXXQXEQKFEW-UHFFFAOYSA-N -1 3 291.391 3.026 20 0 CGADHM CCc1cc(C(=O)N2CC(CC)(CC)C2)ccc1[O-] ZINC000355832501 529511717 /nfs/dbraw/zinc/51/17/17/529511717.db2.gz FYRWJUUXUIUIKW-UHFFFAOYSA-N -1 3 261.365 3.217 20 0 CGADHM Cc1ccc(C(=O)NC2(C3CCC3)CC2)c([O-])c1C ZINC000622741752 349698775 /nfs/dbraw/zinc/69/87/75/349698775.db2.gz PDRXWAVHZRVXQN-UHFFFAOYSA-N -1 3 259.349 3.072 20 0 CGADHM Cc1ccc([O-])c(C(=O)N[C@H](C)C2CCC(F)CC2)c1 ZINC000622753250 349699826 /nfs/dbraw/zinc/69/98/26/349699826.db2.gz UUAKGNMHXMKKNV-PNESKVBLSA-N -1 3 279.355 3.347 20 0 CGADHM Cc1ncccc1CC(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000286199450 282193119 /nfs/dbraw/zinc/19/31/19/282193119.db2.gz WCFGNFKCCRJITJ-GFCCVEGCSA-N -1 3 296.370 3.179 20 0 CGADHM CCc1ccc(-c2nc(Cc3cscn3)no2)c([O-])c1 ZINC000436843293 529577424 /nfs/dbraw/zinc/57/74/24/529577424.db2.gz ZKVOBONJKVAFKH-UHFFFAOYSA-N -1 3 287.344 3.052 20 0 CGADHM CCc1ccc(C(=O)N(C(C)C)C2CCC2)c([O-])c1 ZINC000436830389 529592061 /nfs/dbraw/zinc/59/20/61/529592061.db2.gz CNQOERVUAFGASZ-UHFFFAOYSA-N -1 3 261.365 3.358 20 0 CGADHM CCc1ccc(C(=O)N[C@@H](C)c2cccc(O)c2)c([O-])c1 ZINC000436835309 529606674 /nfs/dbraw/zinc/60/66/74/529606674.db2.gz VKAPDSUMDSAMTJ-NSHDSACASA-N -1 3 285.343 3.151 20 0 CGADHM CCc1ccc(C(=O)Nc2cccc3[nH]c(=O)oc32)c([O-])c1 ZINC000436935373 529611140 /nfs/dbraw/zinc/61/11/40/529611140.db2.gz OXWQFUFOCYUZID-UHFFFAOYSA-N -1 3 298.298 3.054 20 0 CGADHM CCc1ccc(C(=O)N2CCC[C@H](C3CC3)C2)c([O-])c1 ZINC000436920555 529596774 /nfs/dbraw/zinc/59/67/74/529596774.db2.gz HAWAOEZOVUPFSB-AWEZNQCLSA-N -1 3 273.376 3.217 20 0 CGADHM CCc1cnc(NC(=O)c2ccc(C)c(C)c2[O-])s1 ZINC000436571614 529663498 /nfs/dbraw/zinc/66/34/98/529663498.db2.gz CWOXGLRPGNEQIO-UHFFFAOYSA-N -1 3 276.361 3.280 20 0 CGADHM [O-]c1ccc(F)c(CN2CCC[C@@H]2c2ccc[nH]2)c1F ZINC000294980605 199282333 /nfs/dbraw/zinc/28/23/33/199282333.db2.gz SJOJROCFELGWOD-CYBMUJFWSA-N -1 3 278.302 3.336 20 0 CGADHM CCc1ccc([O-])c(C(=O)N[C@H](CC)CC(F)(F)F)c1 ZINC000436982427 529692279 /nfs/dbraw/zinc/69/22/79/529692279.db2.gz UGQFFWYTIAUWDX-SNVBAGLBSA-N -1 3 289.297 3.415 20 0 CGADHM C[C@H](Nc1nc2nncc-2c(O)[n-]1)c1cccc(C2CC2)c1 ZINC000294986804 199286357 /nfs/dbraw/zinc/28/63/57/199286357.db2.gz PZOPAWOCXZEXBO-VIFPVBQESA-N -1 3 295.346 3.109 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000623660364 349861429 /nfs/dbraw/zinc/86/14/29/349861429.db2.gz JOIIUFMFGKJMJD-JTQLQIEISA-N -1 3 287.281 3.115 20 0 CGADHM Cc1ccc2c(c1)[C@H](NC(=O)c1cccc(C)c1[O-])CC2 ZINC000592662399 347004665 /nfs/dbraw/zinc/00/46/65/347004665.db2.gz HGBDJQZMYWQLRO-MRXNPFEDSA-N -1 3 281.355 3.426 20 0 CGADHM CCC(C)(C)[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000016093897 344885413 /nfs/dbraw/zinc/88/54/13/344885413.db2.gz DTWLVHUESVWPBV-UHFFFAOYSA-N -1 3 296.219 3.460 20 0 CGADHM O=C(CSc1ccccc1Cl)Nc1ncccc1[O-] ZINC000022261959 344894758 /nfs/dbraw/zinc/89/47/58/344894758.db2.gz RYJRXWAPWGVROT-UHFFFAOYSA-N -1 3 294.763 3.171 20 0 CGADHM [O-]c1ccc(F)c(CN(CC2CC2)CC2CC2)c1F ZINC000351620857 219151023 /nfs/dbraw/zinc/15/10/23/219151023.db2.gz SHINRDKQRVRCPW-UHFFFAOYSA-N -1 3 267.319 3.292 20 0 CGADHM Cc1cccnc1CCNCc1cccc([O-])c1Cl ZINC000295094192 199341980 /nfs/dbraw/zinc/34/19/80/199341980.db2.gz UDZFOFLKALNNQK-UHFFFAOYSA-N -1 3 276.767 3.081 20 0 CGADHM CCCCCN(Cc1cc(C(=O)[O-])co1)C(C)C ZINC000051330674 345089447 /nfs/dbraw/zinc/08/94/47/345089447.db2.gz NFQJMUHLLPWMRE-UHFFFAOYSA-N -1 3 253.342 3.378 20 0 CGADHM CCC1CCC(N(C)Cc2cc(C(=O)[O-])co2)CC1 ZINC000051330612 345089554 /nfs/dbraw/zinc/08/95/54/345089554.db2.gz BZVLZFSVDDNURF-UHFFFAOYSA-N -1 3 265.353 3.378 20 0 CGADHM CC[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000057102721 345173695 /nfs/dbraw/zinc/17/36/95/345173695.db2.gz JUAZGCXZBMMGHM-BDAKNGLRSA-N -1 3 293.791 3.192 20 0 CGADHM CCOc1ccccc1CN(C)C(=O)c1cc(C)ccc1[O-] ZINC000054586415 345136832 /nfs/dbraw/zinc/13/68/32/345136832.db2.gz BGXDYEIMITXJDF-UHFFFAOYSA-N -1 3 299.370 3.372 20 0 CGADHM CC[C@H]1CCCCN1Cc1ccc(C(=O)[O-])cc1F ZINC000062751368 345239735 /nfs/dbraw/zinc/23/97/35/345239735.db2.gz HTYVVSTUXAPYKE-ZDUSSCGKSA-N -1 3 265.328 3.288 20 0 CGADHM CCCN(C)c1ccc(C(=O)Nc2ccccc2[O-])cc1 ZINC000064023519 345256449 /nfs/dbraw/zinc/25/64/49/345256449.db2.gz QRCMIHQYRIQLAN-UHFFFAOYSA-N -1 3 284.359 3.491 20 0 CGADHM CCc1ccc([O-])c(C(=O)N[C@H](C)c2nc(C)cs2)c1 ZINC000069488243 345381358 /nfs/dbraw/zinc/38/13/58/345381358.db2.gz HLBZUVTWUKESOB-SNVBAGLBSA-N -1 3 290.388 3.211 20 0 CGADHM CC[C@H]1C[C@@H](C)CN1Cc1nc(=O)c2sccc2[n-]1 ZINC000072698149 345415996 /nfs/dbraw/zinc/41/59/96/345415996.db2.gz BLPAERDZIWEIFS-ZJUUUORDSA-N -1 3 277.393 3.017 20 0 CGADHM Cc1ccc(C(=O)N2C[C@H]3CCCC[C@@H]3C2)c([O-])c1C ZINC000078247202 345596132 /nfs/dbraw/zinc/59/61/32/345596132.db2.gz ABJHXIJMFULAJF-ZIAGYGMSSA-N -1 3 273.376 3.271 20 0 CGADHM O=c1[n-]c(CSc2ncc[nH]2)nc2c3ccccc3oc21 ZINC000079005728 345627349 /nfs/dbraw/zinc/62/73/49/345627349.db2.gz KUSMEWKVTGFJQV-UHFFFAOYSA-N -1 3 298.327 3.097 20 0 CGADHM [O-]c1ccc(CNc2ncnc3sccc32)cc1F ZINC000078020064 345588635 /nfs/dbraw/zinc/58/86/35/345588635.db2.gz VTGXHIXPMGAYKB-UHFFFAOYSA-N -1 3 275.308 3.148 20 0 CGADHM O=C(C[C@@H]1C=CCC1)Nc1ccc([O-])cc1Cl ZINC000085205021 345744864 /nfs/dbraw/zinc/74/48/64/345744864.db2.gz QNRPHRJXWLHDRE-SECBINFHSA-N -1 3 251.713 3.340 20 0 CGADHM COc1cc(F)c(NC(=O)c2cc(C)ccc2[O-])cc1F ZINC000163276365 232256855 /nfs/dbraw/zinc/25/68/55/232256855.db2.gz BPSMLIXOESJLPY-UHFFFAOYSA-N -1 3 293.269 3.240 20 0 CGADHM Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)[C@@H]2C)c([O-])c1 ZINC000166850020 232263855 /nfs/dbraw/zinc/26/38/55/232263855.db2.gz XVYRRARHFGIVFK-UPJWGTAASA-N -1 3 261.365 3.207 20 0 CGADHM Cc1ccc([N-]S(=O)(=O)c2cccc(F)c2C)c(F)c1 ZINC000174652106 232304951 /nfs/dbraw/zinc/30/49/51/232304951.db2.gz OMNNHZGAZGNUDX-UHFFFAOYSA-N -1 3 297.326 3.382 20 0 CGADHM O=C(NCc1ccc([O-])c(F)c1)c1cccc(C(F)F)c1 ZINC000172415726 346222106 /nfs/dbraw/zinc/22/21/06/346222106.db2.gz FKDKBHZMMCAIAL-UHFFFAOYSA-N -1 3 295.260 3.399 20 0 CGADHM O=C(Nc1ccccc1[O-])[C@@H]1SCCc2ccccc21 ZINC000175083943 346247121 /nfs/dbraw/zinc/24/71/21/346247121.db2.gz DDMKDDHLRHXTRM-OAHLLOKOSA-N -1 3 285.368 3.361 20 0 CGADHM C[C@H]1CCC[C@H](C)N(C(=O)c2c[n-]c3ccccc3c2=O)C1 ZINC000176612067 346249909 /nfs/dbraw/zinc/24/99/09/346249909.db2.gz ZHEYMGTXSVOTJQ-STQMWFEESA-N -1 3 298.386 3.179 20 0 CGADHM CC1CC(NC(=O)CCc2ccc3ccccc3c2[O-])C1 ZINC000295133964 199364989 /nfs/dbraw/zinc/36/49/89/199364989.db2.gz IIOFLOTUEZZVQP-UHFFFAOYSA-N -1 3 283.371 3.393 20 0 CGADHM Cc1cccc(NC(=O)c2c[n-]nc2-c2ccccc2)n1 ZINC000198171631 346278005 /nfs/dbraw/zinc/27/80/05/346278005.db2.gz SVENGNZTRANVKI-UHFFFAOYSA-N -1 3 278.315 3.032 20 0 CGADHM Cc1ccc(NC(=O)[C@@H]2CCc3ccccc3C2)c([O-])c1 ZINC000223498765 346300714 /nfs/dbraw/zinc/30/07/14/346300714.db2.gz FIDWGLMJEAFJSD-OAHLLOKOSA-N -1 3 281.355 3.444 20 0 CGADHM CS[C@H](C)CNC(=O)c1cc([O-])c2ccccc2c1 ZINC000281544314 346418390 /nfs/dbraw/zinc/41/83/90/346418390.db2.gz KTODSXPIMSCKDY-SNVBAGLBSA-N -1 3 275.373 3.027 20 0 CGADHM Cc1cccc(C(=O)N[C@H](C2CC2)C2CCC2)c1[O-] ZINC000325298797 346491652 /nfs/dbraw/zinc/49/16/52/346491652.db2.gz PAUCPCFUBCYKSI-AWEZNQCLSA-N -1 3 259.349 3.009 20 0 CGADHM CCS[C@@H]1CCCCN(Cc2cc(C(=O)[O-])oc2C)C1 ZINC000593736657 347109094 /nfs/dbraw/zinc/10/90/94/347109094.db2.gz QSQPSTAJEFSOQI-CYBMUJFWSA-N -1 3 297.420 3.394 20 0 CGADHM O=C(Nc1cccc2[nH]ccc21)c1cc(-c2ccco2)[n-]n1 ZINC000339261511 215050010 /nfs/dbraw/zinc/05/00/10/215050010.db2.gz GVGYKXLRZDNDPY-UHFFFAOYSA-N -1 3 292.298 3.403 20 0 CGADHM O=C(Nc1cccc2[nH]ccc21)c1cc(-c2ccco2)n[n-]1 ZINC000339261511 215050011 /nfs/dbraw/zinc/05/00/11/215050011.db2.gz GVGYKXLRZDNDPY-UHFFFAOYSA-N -1 3 292.298 3.403 20 0 CGADHM C[C@@H]1CCN(C(=O)c2cccc(CO)c2)c2c([O-])cccc21 ZINC000334372243 136703942 /nfs/dbraw/zinc/70/39/42/136703942.db2.gz RDCXIIMRAFHBLJ-GFCCVEGCSA-N -1 3 297.354 3.039 20 0 CGADHM Cc1cc(C(=O)N[C@@H]2CC[C@H](C)C[C@H]2C)ccc1[O-] ZINC000300416521 232623730 /nfs/dbraw/zinc/62/37/30/232623730.db2.gz YAQWWQRBLHIEFB-MISXGVKJSA-N -1 3 261.365 3.255 20 0 CGADHM [O-]c1ccc(F)c(CNc2ccccc2F)c1F ZINC000351839962 219222291 /nfs/dbraw/zinc/22/22/91/219222291.db2.gz WYTWOTAWXBTTOZ-UHFFFAOYSA-N -1 3 253.223 3.422 20 0 CGADHM CC(C)SCC(=O)Nc1ccc([O-])cc1Cl ZINC000597857521 347595763 /nfs/dbraw/zinc/59/57/63/347595763.db2.gz MWIXKROLEFLKAZ-UHFFFAOYSA-N -1 3 259.758 3.126 20 0 CGADHM CCS[C@@H]1CC[C@@H](N(C)C(=O)c2c(C)cccc2[O-])C1 ZINC000599611842 347758158 /nfs/dbraw/zinc/75/81/58/347758158.db2.gz RNQLTJSKRBEVTI-CHWSQXEVSA-N -1 3 293.432 3.447 20 0 CGADHM C[C@H](CO)CSCc1cc([O-])cc(C(F)(F)F)c1 ZINC000603320629 348071037 /nfs/dbraw/zinc/07/10/37/348071037.db2.gz ODWLARONDGHSGW-MRVPVSSYSA-N -1 3 280.311 3.273 20 0 CGADHM Cc1noc(C)c1[N-]C(=O)c1cc2occc2s1 ZINC000605460918 348157139 /nfs/dbraw/zinc/15/71/39/348157139.db2.gz XCPMUMSQBRQQAR-UHFFFAOYSA-N -1 3 262.290 3.351 20 0 CGADHM COc1ccc([O-])c(C(=O)NC[C@H](C)c2ccc(C)cc2)c1 ZINC000606241033 348173128 /nfs/dbraw/zinc/17/31/28/348173128.db2.gz QHWIFVPXCUENSU-ZDUSSCGKSA-N -1 3 299.370 3.243 20 0 CGADHM Cc1nc(C2CCCC2)sc1C(=O)[N-]c1cnoc1 ZINC000608122318 348287556 /nfs/dbraw/zinc/28/75/56/348287556.db2.gz RJVJKDPOQLPPCI-UHFFFAOYSA-N -1 3 277.349 3.349 20 0 CGADHM C[C@@H]1CC[C@H](CNC(=O)Cc2ccc([O-])cc2Cl)C1 ZINC000357997767 233034370 /nfs/dbraw/zinc/03/43/70/233034370.db2.gz YUDPAHQEMUEIFD-MNOVXSKESA-N -1 3 281.783 3.141 20 0 CGADHM O=C(CC(F)(F)F)[N-][C@@H](c1ccccc1)C(F)(F)F ZINC000612430490 348519694 /nfs/dbraw/zinc/51/96/94/348519694.db2.gz HLGBRIJIXFOSCR-VIFPVBQESA-N -1 3 285.187 3.359 20 0 CGADHM O=C(NCc1ccc([O-])c(F)c1)C1[C@@H]2CCCCCC[C@@H]12 ZINC000612632572 348536453 /nfs/dbraw/zinc/53/64/53/348536453.db2.gz PTLRDLFJPIWPQX-CHWSQXEVSA-N -1 3 291.366 3.364 20 0 CGADHM CC(C)(C)n1cnc([N-]C(=O)c2ccsc2Cl)n1 ZINC000613450687 348605778 /nfs/dbraw/zinc/60/57/78/348605778.db2.gz GHILBYPZOQQIMA-UHFFFAOYSA-N -1 3 284.772 3.000 20 0 CGADHM CO[C@@H](C(=O)Nc1cc(Cl)cc(C)c1[O-])C1CCCC1 ZINC000613034508 348560582 /nfs/dbraw/zinc/56/05/82/348560582.db2.gz FBYKFAYXVXJRPP-CQSZACIVSA-N -1 3 297.782 3.498 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)[C@]23C[C@H]2COC3(C)C)c1[O-] ZINC000613036203 348561226 /nfs/dbraw/zinc/56/12/26/348561226.db2.gz RDMCHPJAEZEUIS-VFZGTOFNSA-N -1 3 295.766 3.108 20 0 CGADHM CSc1ccc([O-])c(C(=O)NCCCC(C)(F)F)c1 ZINC000615457798 348740888 /nfs/dbraw/zinc/74/08/88/348740888.db2.gz MQNQMFVYZNURJH-UHFFFAOYSA-N -1 3 289.347 3.279 20 0 CGADHM CSc1ccc([O-])c(C(=O)N2CC[C@H](C3CCC3)C2)c1 ZINC000616327040 348810762 /nfs/dbraw/zinc/81/07/62/348810762.db2.gz UMNAMUXQSRCSDW-LBPRGKRZSA-N -1 3 291.416 3.376 20 0 CGADHM CSc1nnc(NC(=O)[C@H](C)CC2CCCCC2)[n-]1 ZINC000358188226 233076054 /nfs/dbraw/zinc/07/60/54/233076054.db2.gz TYKYIWDHSAZBIX-SECBINFHSA-N -1 3 282.413 3.072 20 0 CGADHM CSc1n[n-]c(NC(=O)[C@H](C)CC2CCCCC2)n1 ZINC000358188226 233076055 /nfs/dbraw/zinc/07/60/55/233076055.db2.gz TYKYIWDHSAZBIX-SECBINFHSA-N -1 3 282.413 3.072 20 0 CGADHM CSc1nc(NC(=O)[C@H](C)CC2CCCCC2)n[n-]1 ZINC000358188226 233076057 /nfs/dbraw/zinc/07/60/57/233076057.db2.gz TYKYIWDHSAZBIX-SECBINFHSA-N -1 3 282.413 3.072 20 0 CGADHM CCCCOC1CCN(Cc2cc([O-])cc(F)c2)CC1 ZINC000351995960 219281410 /nfs/dbraw/zinc/28/14/10/219281410.db2.gz MWDKNHZBFRFKMY-UHFFFAOYSA-N -1 3 281.371 3.312 20 0 CGADHM [O-]c1cc(F)cc(CN2CC[C@H]2c2ccccc2)c1 ZINC000351994137 219282421 /nfs/dbraw/zinc/28/24/21/219282421.db2.gz DPQGCAGMUQEZPY-INIZCTEOSA-N -1 3 257.308 3.478 20 0 CGADHM CC(C)CO[C@@H](C)C(=O)Nc1ccc([O-])cc1Cl ZINC000616942110 348885989 /nfs/dbraw/zinc/88/59/89/348885989.db2.gz QKIKTWHRTJHZAJ-VIFPVBQESA-N -1 3 271.744 3.045 20 0 CGADHM O=C(c1cccc([O-])c1)N1CC[C@@H](C2CCCCC2)C1 ZINC000618181956 349057502 /nfs/dbraw/zinc/05/75/02/349057502.db2.gz VUKOSTJNCBGJQG-OAHLLOKOSA-N -1 3 273.376 3.435 20 0 CGADHM CC(C)(F)CCNC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000618411055 349080246 /nfs/dbraw/zinc/08/02/46/349080246.db2.gz SNMNUOMOYJNGKW-UHFFFAOYSA-N -1 3 293.260 3.279 20 0 CGADHM CCC1(CC)CCCN(C(=O)c2ccc3n[n-]nc3c2)C1 ZINC000618673046 349139731 /nfs/dbraw/zinc/13/97/31/349139731.db2.gz OHFBECYQZQLSNL-UHFFFAOYSA-N -1 3 286.379 3.000 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2ccsc2Cl)n1 ZINC000352025938 219293315 /nfs/dbraw/zinc/29/33/15/219293315.db2.gz GWWGJIZAVFWMSE-IHWYPQMZSA-N -1 3 252.726 3.376 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)N1CCC[C@H](C2CCC2)C1 ZINC000620202506 349336976 /nfs/dbraw/zinc/33/69/76/349336976.db2.gz LMYUHIQROHGLDE-AWEZNQCLSA-N -1 3 291.366 3.113 20 0 CGADHM Cc1ccc(C(=O)N(C)[C@@H](C)c2ccncc2)c([O-])c1C ZINC000271227075 191014132 /nfs/dbraw/zinc/01/41/32/191014132.db2.gz HNUOASQIYJLOSC-ZDUSSCGKSA-N -1 3 284.359 3.237 20 0 CGADHM C[C@H]1c2cccn2CCN1Cc1cc([O-])ccc1Cl ZINC000625055004 350124047 /nfs/dbraw/zinc/12/40/47/350124047.db2.gz AOHKUCLXBFTCOO-NSHDSACASA-N -1 3 276.767 3.424 20 0 CGADHM [O-]c1ccc(Cl)c(CN2CCCC3(CC3)C2)c1 ZINC000625329225 350159653 /nfs/dbraw/zinc/15/96/53/350159653.db2.gz BKONKJSFIGQIHO-UHFFFAOYSA-N -1 3 251.757 3.422 20 0 CGADHM C[C@@H]1CCSCCN1Cc1cc([O-])ccc1Cl ZINC000625368688 350164828 /nfs/dbraw/zinc/16/48/28/350164828.db2.gz JEPMKBXCHCHQNW-SNVBAGLBSA-N -1 3 271.813 3.373 20 0 CGADHM [O-]c1ccc(Cl)c(CN2CCC[C@@]3(CCOC3)C2)c1 ZINC000625462144 350175648 /nfs/dbraw/zinc/17/56/48/350175648.db2.gz RFDPKOSZCNTNQB-OAHLLOKOSA-N -1 3 281.783 3.048 20 0 CGADHM CC[C@@H]1CN(Cc2cc([O-])ccc2Cl)[C@@H](C)CO1 ZINC000625512458 350179628 /nfs/dbraw/zinc/17/96/28/350179628.db2.gz OUCJXLFQNYJXKA-GXFFZTMASA-N -1 3 269.772 3.045 20 0 CGADHM C[C@H]1CN(Cc2cc([O-])ccc2Cl)C2(CCC2)CO1 ZINC000625514533 350180195 /nfs/dbraw/zinc/18/01/95/350180195.db2.gz SHADSNNDRWXNEB-NSHDSACASA-N -1 3 281.783 3.189 20 0 CGADHM COc1cccc(C[C@H](C)NC(=O)c2c(C)cccc2[O-])c1 ZINC000625530288 350181474 /nfs/dbraw/zinc/18/14/74/350181474.db2.gz CADWWZAGJPNKNL-ZDUSSCGKSA-N -1 3 299.370 3.070 20 0 CGADHM CCN(C(=O)c1c(C)cccc1[O-])[C@@H](C)c1cccnc1 ZINC000625660078 350194092 /nfs/dbraw/zinc/19/40/92/350194092.db2.gz UUPZSBZWTYPFBS-ZDUSSCGKSA-N -1 3 284.359 3.319 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1Cc2ccccc2C[C@H]1C ZINC000625806015 350215759 /nfs/dbraw/zinc/21/57/59/350215759.db2.gz AMSACGPGJRHDJP-CYBMUJFWSA-N -1 3 281.355 3.288 20 0 CGADHM C/C=C/C[C@@H]1CCCN(Cc2ccc(C(=O)[O-])o2)C1 ZINC000625971720 350237504 /nfs/dbraw/zinc/23/75/04/350237504.db2.gz WIGPPJFAZOFHEL-QAVQXKDTSA-N -1 3 263.337 3.156 20 0 CGADHM Cc1cccc([O-])c1C(=O)NC[C@@H](c1cccnc1)C(C)C ZINC000626027588 350251059 /nfs/dbraw/zinc/25/10/59/350251059.db2.gz CYBPRDYUWHMHMA-OAHLLOKOSA-N -1 3 298.386 3.265 20 0 CGADHM Cc1cccc([O-])c1C(=O)N(C)C[C@H]1CC=CCC1 ZINC000626431731 350305436 /nfs/dbraw/zinc/30/54/36/350305436.db2.gz HIVKYSMLQTUMEQ-ZDUSSCGKSA-N -1 3 259.349 3.129 20 0 CGADHM CC[C@@H](CC(F)(F)F)NC(=O)c1c(C)cccc1[O-] ZINC000626459122 350309275 /nfs/dbraw/zinc/30/92/75/350309275.db2.gz QKXLTFCTMVYDJA-VIFPVBQESA-N -1 3 275.270 3.161 20 0 CGADHM CC[C@@H](NC(=O)c1c(C)cccc1[O-])c1c(C)noc1C ZINC000626275824 350290977 /nfs/dbraw/zinc/29/09/77/350290977.db2.gz OXZIQMBLBLNJPM-GFCCVEGCSA-N -1 3 288.347 3.187 20 0 CGADHM Cc1cccc([O-])c1C(=O)NCCC1C[C@@H](C)O[C@H](C)C1 ZINC000626963811 350348768 /nfs/dbraw/zinc/34/87/68/350348768.db2.gz DHTBXUOIXOVSMR-CHWSQXEVSA-N -1 3 291.391 3.024 20 0 CGADHM Cc1cccc([O-])c1C(=O)N[C@@H]1C[C@@H](C)Oc2ccccc21 ZINC000627589745 350368519 /nfs/dbraw/zinc/36/85/19/350368519.db2.gz ZINPUWHECFCBIW-TZMCWYRMSA-N -1 3 297.354 3.343 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CC2(CCC2)C[C@@H]1C ZINC000626666295 350330444 /nfs/dbraw/zinc/33/04/44/350330444.db2.gz AHUJNYZZBITXDG-LBPRGKRZSA-N -1 3 259.349 3.105 20 0 CGADHM O=C(c1cc2c(cc1[O-])CCCC2)N(C1CC1)C1CC1 ZINC000628814785 350605159 /nfs/dbraw/zinc/60/51/59/350605159.db2.gz HJOKJHVOPDWQLH-UHFFFAOYSA-N -1 3 271.360 3.038 20 0 CGADHM Cc1oc(C(=O)[O-])cc1CN1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000629363583 350678110 /nfs/dbraw/zinc/67/81/10/350678110.db2.gz GFCPQTRYCHXXDE-DTORHVGOSA-N -1 3 287.306 3.009 20 0 CGADHM C[C@@H]1CN(Cc2ccc(C(=O)[O-])s2)C[C@H](C)C1(F)F ZINC000629362993 350678300 /nfs/dbraw/zinc/67/83/00/350678300.db2.gz AJIHZODTBCXFFR-DTORHVGOSA-N -1 3 289.347 3.169 20 0 CGADHM C[C@@H]1CN(Cc2ccc(C(=O)[O-])s2)C[C@@H](C)C1(F)F ZINC000629362996 350678487 /nfs/dbraw/zinc/67/84/87/350678487.db2.gz AJIHZODTBCXFFR-RKDXNWHRSA-N -1 3 289.347 3.169 20 0 CGADHM Cc1cc([C@H](C)N2CCCC(F)(F)CC2)oc1C(=O)[O-] ZINC000629368044 350679694 /nfs/dbraw/zinc/67/96/94/350679694.db2.gz IATRFLFYEJXSRH-JTQLQIEISA-N -1 3 287.306 3.468 20 0 CGADHM Cc1ccc(C(=O)N2CC(Cc3cccs3)C2)c([O-])c1 ZINC000629626151 350721889 /nfs/dbraw/zinc/72/18/89/350721889.db2.gz WUDGERPXRNMLSM-UHFFFAOYSA-N -1 3 287.384 3.077 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CC[C@H](c3ccc(O)cc3)C2)c1 ZINC000629670751 350733996 /nfs/dbraw/zinc/73/39/96/350733996.db2.gz XINHQOKGNNZSJQ-AWEZNQCLSA-N -1 3 297.354 3.036 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@@H]1C[C@H]1c1cccc(C)c1 ZINC000630009814 350796829 /nfs/dbraw/zinc/79/68/29/350796829.db2.gz VGVOVZMDRRLYOR-LSDHHAIUSA-N -1 3 297.402 3.314 20 0 CGADHM CC(C)(CNCc1c(F)ccc(F)c1Cl)CC(=O)[O-] ZINC000630451495 350841717 /nfs/dbraw/zinc/84/17/17/350841717.db2.gz GGDBETAHAIOMNK-UHFFFAOYSA-N -1 3 291.725 3.209 20 0 CGADHM C[C@H](NC[C@@H]1CCCC[C@H]1C)c1nc(C(=O)[O-])cs1 ZINC000630465317 350844856 /nfs/dbraw/zinc/84/48/56/350844856.db2.gz SEPVOPUJSJITOP-VWYCJHECSA-N -1 3 282.409 3.318 20 0 CGADHM [O-]c1cccc(CN[C@H](C2CCC2)[C@H]2CCCO2)c1Cl ZINC000631256978 351009328 /nfs/dbraw/zinc/00/93/28/351009328.db2.gz YMQNSNDCUOKZDR-GDBMZVCRSA-N -1 3 295.810 3.483 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])[C@@H]1C[C@H]1C1CCOCC1 ZINC000632027555 351159290 /nfs/dbraw/zinc/15/92/90/351159290.db2.gz GQULMNLDGCEFTH-NWDGAFQWSA-N -1 3 295.766 3.047 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])C1(C(F)F)CCC1 ZINC000632027926 351159589 /nfs/dbraw/zinc/15/95/89/351159589.db2.gz RVLWCXPXIMNRAY-UHFFFAOYSA-N -1 3 275.682 3.420 20 0 CGADHM Cc1c[nH]cc1C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000336507015 213381284 /nfs/dbraw/zinc/38/12/84/213381284.db2.gz GGAZEJMBVFMJBG-UHFFFAOYSA-N -1 3 284.237 3.300 20 0 CGADHM Cc1ccc(COc2cc3occ([O-])c3c(C)c2)c(C)n1 ZINC000634561224 351515791 /nfs/dbraw/zinc/51/57/91/351515791.db2.gz REVPLOAWKPUVBT-UHFFFAOYSA-N -1 3 283.327 3.161 20 0 CGADHM CC(C)c1nccn1CC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000635720618 351685266 /nfs/dbraw/zinc/68/52/66/351685266.db2.gz AVMIOIMSAXKVGM-UHFFFAOYSA-N -1 3 293.754 3.004 20 0 CGADHM Cc1ccnc([C@@H](C)NC(=O)c2ccc(C(C)C)cc2[O-])n1 ZINC000636038308 351716287 /nfs/dbraw/zinc/71/62/87/351716287.db2.gz AWMDUZTZTDUHJD-GFCCVEGCSA-N -1 3 299.374 3.105 20 0 CGADHM CCOc1cccc(NC(=O)[N-]OC[C@H](C)CC)c1 ZINC000291668890 198057104 /nfs/dbraw/zinc/05/71/04/198057104.db2.gz BCSJFZWYMVMKHL-LLVKDONJSA-N -1 3 266.341 3.185 20 0 CGADHM COc1ccccc1C[C@@H](C)CC(=O)[N-]OC/C=C/Cl ZINC000291699380 198062804 /nfs/dbraw/zinc/06/28/04/198062804.db2.gz CDXTVAMHYAFKAW-FZKGZDJFSA-N -1 3 297.782 3.064 20 0 CGADHM O=C([O-])Cc1ccccc1CNCc1ccc(Cl)s1 ZINC000123436983 187091373 /nfs/dbraw/zinc/09/13/73/187091373.db2.gz LQXCBMTYXVCWDI-UHFFFAOYSA-N -1 3 295.791 3.318 20 0 CGADHM CCc1cc(C(=O)N[C@@H](CC)c2ccncc2)ccc1[O-] ZINC000291965348 198119270 /nfs/dbraw/zinc/11/92/70/198119270.db2.gz PLOAHGCGMKGKPH-HNNXBMFYSA-N -1 3 284.359 3.231 20 0 CGADHM [O-]c1ccc(F)c(CN2CCCC[C@@H]2c2ncc[nH]2)c1F ZINC000336486614 213358026 /nfs/dbraw/zinc/35/80/26/213358026.db2.gz CDLNNEIHVQJKAF-GFCCVEGCSA-N -1 3 293.317 3.121 20 0 CGADHM [O-]C(=NO[C@H]1CCCCO1)Nc1cc(Cl)ccc1F ZINC000155584528 188215169 /nfs/dbraw/zinc/21/51/69/188215169.db2.gz SCGSUIRWILLGNS-NSHDSACASA-N -1 3 288.706 3.059 20 0 CGADHM O=C([N-]O[C@H]1CCCCO1)Nc1cc(Cl)ccc1F ZINC000155584528 188215171 /nfs/dbraw/zinc/21/51/71/188215171.db2.gz SCGSUIRWILLGNS-NSHDSACASA-N -1 3 288.706 3.059 20 0 CGADHM CCc1onc(C)c1[N-]C(=O)c1scnc1C(C)C ZINC000410627540 235000642 /nfs/dbraw/zinc/00/06/42/235000642.db2.gz UWZGGMOLSYVVMH-UHFFFAOYSA-N -1 3 279.365 3.378 20 0 CGADHM CCc1onc(C)c1[N-]C(=O)c1oc(C(C)C)nc1C ZINC000293489527 198654889 /nfs/dbraw/zinc/65/48/89/198654889.db2.gz PEWPYRIFQWLQLN-UHFFFAOYSA-N -1 3 277.324 3.218 20 0 CGADHM Cc1cccc2c(CC(=O)[N-]OC3CCCC3)c[nH]c21 ZINC000271787872 191326750 /nfs/dbraw/zinc/32/67/50/191326750.db2.gz QEXXQUZSDVPAJI-UHFFFAOYSA-N -1 3 272.348 3.009 20 0 CGADHM [O-]C(=NOC1CCCC1)Nc1ccc(F)c(F)c1F ZINC000271858296 191371879 /nfs/dbraw/zinc/37/18/79/191371879.db2.gz YEECHYMMZHFNSL-UHFFFAOYSA-N -1 3 274.242 3.100 20 0 CGADHM O=C([N-]OC1CCCC1)Nc1ccc(F)c(F)c1F ZINC000271858296 191371882 /nfs/dbraw/zinc/37/18/82/191371882.db2.gz YEECHYMMZHFNSL-UHFFFAOYSA-N -1 3 274.242 3.100 20 0 CGADHM COc1cc(C)c(NC([O-])=NOC2CCCC2)cc1OC ZINC000271862945 191375434 /nfs/dbraw/zinc/37/54/34/191375434.db2.gz ZDUJBJYGODUQAW-UHFFFAOYSA-N -1 3 294.351 3.008 20 0 CGADHM COc1cc(C)c(NC(=O)[N-]OC2CCCC2)cc1OC ZINC000271862945 191375436 /nfs/dbraw/zinc/37/54/36/191375436.db2.gz ZDUJBJYGODUQAW-UHFFFAOYSA-N -1 3 294.351 3.008 20 0 CGADHM CCn1c(=O)[n-]nc1S[C@@H](C)c1ccc2c(c1)CCC2 ZINC000412980069 235234768 /nfs/dbraw/zinc/23/47/68/235234768.db2.gz BUEGAJHAAQQXHV-JTQLQIEISA-N -1 3 289.404 3.346 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])[C@H]1CCCCS1 ZINC000272990976 192010698 /nfs/dbraw/zinc/01/06/98/192010698.db2.gz WVBDRCSRWABPBJ-LLVKDONJSA-N -1 3 271.769 3.270 20 0 CGADHM Cc1ncccc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000108449661 138360211 /nfs/dbraw/zinc/36/02/11/138360211.db2.gz UWOHEGAPGGKVOX-UHFFFAOYSA-N -1 3 262.696 3.001 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2ccccc2-n2ccnc2)c1 ZINC000124428642 138375120 /nfs/dbraw/zinc/37/51/20/138375120.db2.gz WDUDVNJZGPGEMN-UHFFFAOYSA-N -1 3 293.326 3.139 20 0 CGADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1ccccn1 ZINC000125387874 138381977 /nfs/dbraw/zinc/38/19/77/138381977.db2.gz QJHRKNQCGXKCMT-UHFFFAOYSA-N -1 3 282.221 3.058 20 0 CGADHM CC(C)=CCC[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000480726458 535356835 /nfs/dbraw/zinc/35/68/35/535356835.db2.gz AUOLIPIUAIYMMF-UHFFFAOYSA-N -1 3 291.775 3.114 20 0 CGADHM Cc1ccc([C@@H](NCc2cccc3[nH]ccc32)C(=O)[O-])cc1 ZINC000426701003 236306898 /nfs/dbraw/zinc/30/68/98/236306898.db2.gz WZKJSYSFBKIOSN-QGZVFWFLSA-N -1 3 294.354 3.392 20 0 CGADHM O=C([O-])[C@H](NCc1cc(F)cc(Cl)c1)c1cccs1 ZINC000426797824 236315661 /nfs/dbraw/zinc/31/56/61/236315661.db2.gz GRODOGREIKDGPL-GFCCVEGCSA-N -1 3 299.754 3.456 20 0 CGADHM C[C@@H]1CSCCN(Cc2cccc([O-])c2Cl)C1 ZINC000294811808 199193189 /nfs/dbraw/zinc/19/31/89/199193189.db2.gz WVBOIRKZAXXMQV-JTQLQIEISA-N -1 3 271.813 3.231 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CCC(F)(F)[C@H](C)C2)c1 ZINC000336017134 212821097 /nfs/dbraw/zinc/82/10/97/212821097.db2.gz BJRRJCRXVFGHCW-SNVBAGLBSA-N -1 3 283.318 3.072 20 0 CGADHM Cc1ccccc1C[C@H](C)N(C)C(=O)c1ccc(O)cc1[O-] ZINC000436708750 237163917 /nfs/dbraw/zinc/16/39/17/237163917.db2.gz KRJYGDGRCVNOIH-ZDUSSCGKSA-N -1 3 299.370 3.109 20 0 CGADHM C[C@@H]1C[C@H](C)CN(C(=O)c2cc3c(cc2[O-])CCCC3)C1 ZINC000436756153 237175457 /nfs/dbraw/zinc/17/54/57/237175457.db2.gz PRIGPLUZRODQIJ-BETUJISGSA-N -1 3 287.403 3.389 20 0 CGADHM [O-]c1c(F)cc(-c2nc3ccc(F)cc3[nH]2)cc1F ZINC000436779329 237176998 /nfs/dbraw/zinc/17/69/98/237176998.db2.gz JOVRTLDYZXKOLF-UHFFFAOYSA-N -1 3 264.206 3.353 20 0 CGADHM COc1cc(-c2noc(-c3cscc3C)n2)ccc1[O-] ZINC000436771590 237178431 /nfs/dbraw/zinc/17/84/31/237178431.db2.gz XDVOTNLNZILFCD-UHFFFAOYSA-N -1 3 288.328 3.488 20 0 CGADHM O=C(c1ccc2c(c1[O-])CCCC2)N1CC[C@H](C2CC2)C1 ZINC000436990060 237225163 /nfs/dbraw/zinc/22/51/63/237225163.db2.gz SXSXLKKMIVSCQY-AWEZNQCLSA-N -1 3 285.387 3.143 20 0 CGADHM Cc1ccc([O-])c(C(=O)NCc2ccc(OC(C)C)cc2)c1 ZINC000436922428 237212321 /nfs/dbraw/zinc/21/23/21/237212321.db2.gz XZXNJKYXAWZKLQ-UHFFFAOYSA-N -1 3 299.370 3.418 20 0 CGADHM Cc1ccc(C(=O)N(CC2CC2)C2CCC2)c([O-])c1 ZINC000436926237 237213059 /nfs/dbraw/zinc/21/30/59/237213059.db2.gz IWVBEYVXEMOSLQ-UHFFFAOYSA-N -1 3 259.349 3.105 20 0 CGADHM CC(C)O[N-]C(=O)CCSc1nc2ccccc2s1 ZINC000297366928 200164989 /nfs/dbraw/zinc/16/49/89/200164989.db2.gz ZHTQTEFZGBPPOT-UHFFFAOYSA-N -1 3 296.417 3.235 20 0 CGADHM CC[C@@H]([N-]C(=O)C(C)(Cl)Cl)c1nc(C)cs1 ZINC000180423991 189255007 /nfs/dbraw/zinc/25/50/07/189255007.db2.gz TZWJSKVVSSKEIQ-SSDOTTSWSA-N -1 3 281.208 3.213 20 0 CGADHM CC(C)c1nsc(NCc2ccc([O-])c(F)c2)n1 ZINC000301529311 201049531 /nfs/dbraw/zinc/04/95/31/201049531.db2.gz RBJFKKDBJPBEAS-UHFFFAOYSA-N -1 3 267.329 3.118 20 0 CGADHM C[C@@H](c1ccco1)N(C(=O)c1cccc([O-])c1)C1CC1 ZINC000182181085 189316403 /nfs/dbraw/zinc/31/64/03/189316403.db2.gz RIHXONBYKJYDFY-NSHDSACASA-N -1 3 271.316 3.351 20 0 CGADHM CC(=O)[C@@H](C)CCCCC(=O)Nc1c(C)cccc1[O-] ZINC000183028922 189343270 /nfs/dbraw/zinc/34/32/70/189343270.db2.gz OZKIZOGGGZDZNK-NSHDSACASA-N -1 3 277.364 3.425 20 0 CGADHM CCc1cc(C(=O)N2CCC[C@@H]2C2CCC2)ccc1[O-] ZINC000342405287 216340904 /nfs/dbraw/zinc/34/09/04/216340904.db2.gz ALRVZLFYXCJKDX-OAHLLOKOSA-N -1 3 273.376 3.359 20 0 CGADHM CCO[N-]C(=O)Nc1ccc(N2CCCC[C@@H]2C)cc1C ZINC000184082134 189376217 /nfs/dbraw/zinc/37/62/17/189376217.db2.gz AXWGKJHVIJVAKW-ZDUSSCGKSA-N -1 3 291.395 3.447 20 0 CGADHM CC[C@H]1CCCC[C@H]1OCC(=O)Nc1cc(F)ccc1[O-] ZINC000184836727 189396626 /nfs/dbraw/zinc/39/66/26/189396626.db2.gz BLEYTYQJXPVHEF-XHDPSFHLSA-N -1 3 295.354 3.455 20 0 CGADHM C[C@@H]1CCC[C@H](NC(=O)Cc2ccc([O-])c(F)c2)CC1 ZINC000451022526 240192720 /nfs/dbraw/zinc/19/27/20/240192720.db2.gz BMGXQNVQAOCDOZ-YPMHNXCESA-N -1 3 279.355 3.159 20 0 CGADHM O=C([N-][C@H](c1cc(F)ccc1F)C(F)F)[C@@H]1CC1(F)F ZINC000451290427 240265397 /nfs/dbraw/zinc/26/53/97/240265397.db2.gz XINDLYAFCVIXLB-IONNQARKSA-N -1 3 297.198 3.042 20 0 CGADHM C[C@@H]1CC[C@H](N(C)Cc2nc(=O)c3sccc3[n-]2)C1 ZINC000275768072 193123576 /nfs/dbraw/zinc/12/35/76/193123576.db2.gz YPTPXOBGUZTQJH-ZJUUUORDSA-N -1 3 277.393 3.017 20 0 CGADHM C[C@H]1CC[C@@H](N(C)Cc2nc(=O)c3sccc3[n-]2)C1 ZINC000275768069 193123717 /nfs/dbraw/zinc/12/37/17/193123717.db2.gz YPTPXOBGUZTQJH-VHSXEESVSA-N -1 3 277.393 3.017 20 0 CGADHM CCC[C@@H](NC(=O)c1ccc([O-])c(OC)c1)C(C)(C)C ZINC000456111919 241362147 /nfs/dbraw/zinc/36/21/47/241362147.db2.gz LWFSIMPNVJHHIL-CQSZACIVSA-N -1 3 279.380 3.345 20 0 CGADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@@H]1CC12CC2 ZINC000335558295 212266004 /nfs/dbraw/zinc/26/60/04/212266004.db2.gz JKNHBFLQJGBLQU-QMMMGPOBSA-N -1 3 296.164 3.202 20 0 CGADHM C[C@@H]1CCCC[C@]1(C)NC(=O)Cc1ccc([O-])c(F)c1 ZINC000457287060 241606423 /nfs/dbraw/zinc/60/64/23/241606423.db2.gz NHDNPODCXLVUEW-BZNIZROVSA-N -1 3 279.355 3.159 20 0 CGADHM O=c1cc(CN2CCC[C@@H]2c2ccccc2)nc(C2CC2)[n-]1 ZINC000459285709 242052535 /nfs/dbraw/zinc/05/25/35/242052535.db2.gz VQAIALZRYIOXJD-MRXNPFEDSA-N -1 3 295.386 3.397 20 0 CGADHM CCOc1cc(CN2CCC[C@@H](OC)C2)cc(Cl)c1[O-] ZINC000459314436 242068870 /nfs/dbraw/zinc/06/88/70/242068870.db2.gz ZOKYKUWWRYPCMX-GFCCVEGCSA-N -1 3 299.798 3.055 20 0 CGADHM CC[C@H](C)C[C@H](C)[N-]S(=O)(=O)c1cc(C)ccc1F ZINC000462707597 242358257 /nfs/dbraw/zinc/35/82/57/242358257.db2.gz VOEWOOOARBIMIS-JQWIXIFHSA-N -1 3 287.400 3.237 20 0 CGADHM COc1cccc(C(=O)N2CC[C@H](c3ccccc3)C2)c1[O-] ZINC000121524475 370869041 /nfs/dbraw/zinc/86/90/41/370869041.db2.gz UUFSJHVGWQCXSL-AWEZNQCLSA-N -1 3 297.354 3.031 20 0 CGADHM CCC(CC)(CNC(=O)c1ccc([O-])c(OC)c1)SC ZINC000275962781 193174946 /nfs/dbraw/zinc/17/49/46/193174946.db2.gz IOBXFMBVLKXZTE-UHFFFAOYSA-N -1 3 297.420 3.052 20 0 CGADHM O=C([C@H]1CCC[C@@H](F)C1)N1CCCc2cccc([O-])c21 ZINC000335223789 296116240 /nfs/dbraw/zinc/11/62/40/296116240.db2.gz QSRKIUSLKIDQRU-QWHCGFSZSA-N -1 3 277.339 3.200 20 0 CGADHM CC(C)[C@@H]1C[C@@H]1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000477706157 243052774 /nfs/dbraw/zinc/05/27/74/243052774.db2.gz VAJPPAUHJTVEAE-UWVGGRQHSA-N -1 3 253.729 3.276 20 0 CGADHM CC[C@H](CC(=O)Nc1nnc(-c2ccc(C)o2)[n-]1)C(C)C ZINC000479450719 243105190 /nfs/dbraw/zinc/10/51/90/243105190.db2.gz IYYFITZBNLDEOM-LLVKDONJSA-N -1 3 290.367 3.384 20 0 CGADHM CC[C@H](CC(=O)Nc1nc(-c2ccc(C)o2)n[n-]1)C(C)C ZINC000479450719 243105193 /nfs/dbraw/zinc/10/51/93/243105193.db2.gz IYYFITZBNLDEOM-LLVKDONJSA-N -1 3 290.367 3.384 20 0 CGADHM CC[C@H](CC(=O)Nc1n[n-]c(-c2ccc(C)o2)n1)C(C)C ZINC000479450719 243105194 /nfs/dbraw/zinc/10/51/94/243105194.db2.gz IYYFITZBNLDEOM-LLVKDONJSA-N -1 3 290.367 3.384 20 0 CGADHM CCc1cc(C(=O)N[C@H]2CC[C@H](C)CC2)ccc1[O-] ZINC000486236786 243356577 /nfs/dbraw/zinc/35/65/77/243356577.db2.gz USCAKNSUVVQWPF-YEORSEQZSA-N -1 3 261.365 3.263 20 0 CGADHM CCCn1c(=O)[n-]nc1SCCCc1cccc(F)c1 ZINC000484487287 243314757 /nfs/dbraw/zinc/31/47/57/243314757.db2.gz JHABYDSCTQXSKP-UHFFFAOYSA-N -1 3 295.383 3.258 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2ccc(OCC3CC3)cc2)n1 ZINC000486128228 243353420 /nfs/dbraw/zinc/35/34/20/243353420.db2.gz SUUUSAOFLOXSDG-TWGQIWQCSA-N -1 3 282.343 3.450 20 0 CGADHM Cc1ccc(C(=O)Nc2ccc(F)cc2C)c([O-])c1 ZINC000019840181 368772133 /nfs/dbraw/zinc/77/21/33/368772133.db2.gz IYAMLMCUXNVTDJ-UHFFFAOYSA-N -1 3 259.280 3.400 20 0 CGADHM Cc1ccc(NC(=O)c2cccn2C(C)C)c([O-])c1 ZINC000040887340 369166915 /nfs/dbraw/zinc/16/69/15/369166915.db2.gz IMZBOKOPYSWFOQ-UHFFFAOYSA-N -1 3 258.321 3.335 20 0 CGADHM CCO/C=C\C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000493250572 244125438 /nfs/dbraw/zinc/12/54/38/244125438.db2.gz IJNODVOOOKZLBK-HJWRWDBZSA-N -1 3 263.337 3.178 20 0 CGADHM O=C(/C=C\c1cncc([O-])c1)Nc1ccc(C2CCC2)cn1 ZINC000493445525 244164260 /nfs/dbraw/zinc/16/42/60/244164260.db2.gz DROZTQMTMOLVBC-DAXSKMNVSA-N -1 3 295.342 3.102 20 0 CGADHM Cc1ccc(NC(=O)c2ccc3cc[nH]c3c2)c([O-])c1 ZINC000043005962 369240595 /nfs/dbraw/zinc/24/05/95/369240595.db2.gz PGMKDAWBXWZKAR-UHFFFAOYSA-N -1 3 266.300 3.434 20 0 CGADHM CCCCO[C@H](C)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000049180118 369392356 /nfs/dbraw/zinc/39/23/56/369392356.db2.gz BFNVNRSGZIYSSD-SECBINFHSA-N -1 3 271.744 3.189 20 0 CGADHM C[C@@H]1c2ccsc2CCN1C(=O)c1cccc([O-])c1 ZINC000048775257 369369271 /nfs/dbraw/zinc/36/92/71/369369271.db2.gz KZNMEEWXRPLGFO-SNVBAGLBSA-N -1 3 273.357 3.213 20 0 CGADHM O=C(CCC1CCCCC1)[N-]OCc1ccc(F)cn1 ZINC000276124133 193219777 /nfs/dbraw/zinc/21/97/77/193219777.db2.gz ZCNWQLVBSMLKBX-UHFFFAOYSA-N -1 3 280.343 3.129 20 0 CGADHM CCc1ccc(C(=O)N(C)C2Cc3ccccc3C2)c([O-])c1 ZINC000276211317 193244605 /nfs/dbraw/zinc/24/46/05/193244605.db2.gz LHHQECHURMRFCY-UHFFFAOYSA-N -1 3 295.382 3.194 20 0 CGADHM CCCCCC(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000064343066 369651903 /nfs/dbraw/zinc/65/19/03/369651903.db2.gz FKOYILXTSPFEIN-UHFFFAOYSA-N -1 3 299.374 3.264 20 0 CGADHM CCC[C@@H](C)CC(=O)[N-]c1oc(CC)nc1C(=O)OCC ZINC000093314451 370116623 /nfs/dbraw/zinc/11/66/23/370116623.db2.gz UTPOGVWBFUDIRT-SNVBAGLBSA-N -1 3 296.367 3.179 20 0 CGADHM Cc1ccc(NC(=O)[C@@H]2CCOc3ccccc32)c([O-])c1 ZINC000110908985 370390614 /nfs/dbraw/zinc/39/06/14/370390614.db2.gz BPDGYKBQWGYJNU-CYBMUJFWSA-N -1 3 283.327 3.205 20 0 CGADHM CC[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000512031379 245016492 /nfs/dbraw/zinc/01/64/92/245016492.db2.gz PFKUZNRBMAQGLL-BDAKNGLRSA-N -1 3 293.791 3.192 20 0 CGADHM CSc1ccc(C(=O)[N-]c2nnc(C(C)C)s2)o1 ZINC000112231281 370415259 /nfs/dbraw/zinc/41/52/59/370415259.db2.gz GXERNLGRETXOOE-UHFFFAOYSA-N -1 3 283.378 3.229 20 0 CGADHM O=C(NC1(c2nccs2)CCCC1)c1ccccc1[O-] ZINC000116105302 370547883 /nfs/dbraw/zinc/54/78/83/370547883.db2.gz BAKMUCBSYSZZST-UHFFFAOYSA-N -1 3 288.372 3.048 20 0 CGADHM CC(=O)c1c[nH]c(C(=O)Nc2cc(Cl)cc(C)c2[O-])c1 ZINC000116978719 370577045 /nfs/dbraw/zinc/57/70/45/370577045.db2.gz VDRJVLVHNRRKIR-UHFFFAOYSA-N -1 3 292.722 3.137 20 0 CGADHM O=C(Cc1ccc([O-])cc1Cl)Nc1cc(Cl)ccn1 ZINC000130851389 371064065 /nfs/dbraw/zinc/06/40/65/371064065.db2.gz XEFCGCOUWVEZAF-UHFFFAOYSA-N -1 3 297.141 3.275 20 0 CGADHM O=C(Cc1ccc([O-])cc1Cl)N1CCC[C@H]1C1CCC1 ZINC000132218920 371159623 /nfs/dbraw/zinc/15/96/23/371159623.db2.gz UTZBCJGDPDIGLN-HNNXBMFYSA-N -1 3 293.794 3.379 20 0 CGADHM COc1cccc(C(=O)N2C[C@H](C)CCC[C@@H]2C)c1[O-] ZINC000134054067 371300520 /nfs/dbraw/zinc/30/05/20/371300520.db2.gz AOXLJBBQMDKZKS-NEPJUHHUSA-N -1 3 277.364 3.052 20 0 CGADHM O=C([N-]c1c(F)cc(F)cc1F)c1cc(Cl)ccn1 ZINC000088721127 284269605 /nfs/dbraw/zinc/26/96/05/284269605.db2.gz BILRWEANCYHWOA-UHFFFAOYSA-N -1 3 286.640 3.405 20 0 CGADHM CCC[C@@H](C(=O)Nc1nnc(-c2ccco2)[n-]1)C(C)C ZINC000134537585 371347665 /nfs/dbraw/zinc/34/76/65/371347665.db2.gz MUYBBEHAPIDESY-SNVBAGLBSA-N -1 3 276.340 3.076 20 0 CGADHM CCC[C@@H](C(=O)Nc1nc(-c2ccco2)n[n-]1)C(C)C ZINC000134537585 371347672 /nfs/dbraw/zinc/34/76/72/371347672.db2.gz MUYBBEHAPIDESY-SNVBAGLBSA-N -1 3 276.340 3.076 20 0 CGADHM CCC[C@@H](C(=O)Nc1n[n-]c(-c2ccco2)n1)C(C)C ZINC000134537585 371347678 /nfs/dbraw/zinc/34/76/78/371347678.db2.gz MUYBBEHAPIDESY-SNVBAGLBSA-N -1 3 276.340 3.076 20 0 CGADHM O=C(CCCc1c[nH]c2ccccc12)[N-]OC1CCCC1 ZINC000135130234 371392733 /nfs/dbraw/zinc/39/27/33/371392733.db2.gz JMFLEZXJNNXFSL-UHFFFAOYSA-N -1 3 286.375 3.481 20 0 CGADHM CC(C)(C)c1ccc([O-])c(NC(=O)c2ccc[nH]2)c1 ZINC000135885936 371452001 /nfs/dbraw/zinc/45/20/01/371452001.db2.gz IXHATOFZZDGBCE-UHFFFAOYSA-N -1 3 258.321 3.270 20 0 CGADHM Cc1cccc(C(=O)Nc2ccc3c(c2)OCCCO3)c1[O-] ZINC000020260166 541855243 /nfs/dbraw/zinc/85/52/43/541855243.db2.gz BIJWIFRIEQMDPZ-UHFFFAOYSA-N -1 3 299.326 3.114 20 0 CGADHM O=C(Nc1ccc(Cl)cc1[O-])[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000421790670 371634533 /nfs/dbraw/zinc/63/45/33/371634533.db2.gz FYNXIYMWICHWFO-OPRDCNLKSA-N -1 3 265.740 3.420 20 0 CGADHM Cc1cc(S(=O)(=O)[N-]C2CCCC2)c(Cl)cc1F ZINC000153658577 371779593 /nfs/dbraw/zinc/77/95/93/371779593.db2.gz PEQLLKDTTKGJQY-UHFFFAOYSA-N -1 3 291.775 3.008 20 0 CGADHM Cc1ccc(C(=O)N2CC[C@H](C)[C@H](C)C2)c([O-])c1C ZINC000153732781 371784380 /nfs/dbraw/zinc/78/43/80/371784380.db2.gz UUFNEPLCOOGXES-CMPLNLGQSA-N -1 3 261.365 3.127 20 0 CGADHM [O-]C(=NOC/C=C/Cl)Nc1ccccc1OCC1CC1 ZINC000290039352 371886577 /nfs/dbraw/zinc/88/65/77/371886577.db2.gz SLOKGXYYCZFBHH-FPYGCLRLSA-N -1 3 296.754 3.281 20 0 CGADHM O=C([N-]OC/C=C/Cl)Nc1ccccc1OCC1CC1 ZINC000290039352 371886587 /nfs/dbraw/zinc/88/65/87/371886587.db2.gz SLOKGXYYCZFBHH-FPYGCLRLSA-N -1 3 296.754 3.281 20 0 CGADHM COC1CCC(N(C)C(=O)c2cc([O-])ccc2Cl)CC1 ZINC000289843549 371836978 /nfs/dbraw/zinc/83/69/78/371836978.db2.gz AABAKNJSEWMAGT-UHFFFAOYSA-N -1 3 297.782 3.075 20 0 CGADHM O=C([O-])C[C@H](NCc1ccsc1)c1cccs1 ZINC000037087945 541861715 /nfs/dbraw/zinc/86/17/15/541861715.db2.gz ZOUJETLXXLQABN-JTQLQIEISA-N -1 3 267.375 3.115 20 0 CGADHM O=C(Cc1ccc([O-])cc1Cl)N1C[C@@H]2CCCC[C@H]2C1 ZINC000156917667 372001193 /nfs/dbraw/zinc/00/11/93/372001193.db2.gz FSBWFLWWRYBYCQ-STQMWFEESA-N -1 3 293.794 3.237 20 0 CGADHM COc1ccsc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000153559223 321722219 /nfs/dbraw/zinc/72/22/19/321722219.db2.gz ZZDOJAJWLVZYER-UHFFFAOYSA-N -1 3 283.736 3.368 20 0 CGADHM COc1cc(NC([O-])=NOC/C=C/Cl)c(C)cc1C ZINC000290856629 372065528 /nfs/dbraw/zinc/06/55/28/372065528.db2.gz ZXMUPHBRAQVWHT-SNAWJCMRSA-N -1 3 284.743 3.118 20 0 CGADHM COc1cc(NC(=O)[N-]OC/C=C/Cl)c(C)cc1C ZINC000290856629 372065531 /nfs/dbraw/zinc/06/55/31/372065531.db2.gz ZXMUPHBRAQVWHT-SNAWJCMRSA-N -1 3 284.743 3.118 20 0 CGADHM O=C(Cc1cccc(Cl)c1F)[N-]OC1CCCC1 ZINC000290887439 372070266 /nfs/dbraw/zinc/07/02/66/372070266.db2.gz BWKAZVOJOGYINK-UHFFFAOYSA-N -1 3 271.719 3.012 20 0 CGADHM CCN(Cc1ccccc1)Cc1nc(C)ccc1[O-] ZINC000158685473 372079124 /nfs/dbraw/zinc/07/91/24/372079124.db2.gz ZFLPRKYJKOJTCP-UHFFFAOYSA-N -1 3 256.349 3.118 20 0 CGADHM CCc1cccc(Cl)c1CNCC[C@H](C)CC(=O)[O-] ZINC000426635727 372167285 /nfs/dbraw/zinc/16/72/85/372167285.db2.gz XOBSXJNLDZLCQX-NSHDSACASA-N -1 3 283.799 3.493 20 0 CGADHM O=C(Nc1ccc(Cl)cc1[O-])C1(CCF)CC1 ZINC000291145294 372125352 /nfs/dbraw/zinc/12/53/52/372125352.db2.gz WYHNVUAGGAUEAB-UHFFFAOYSA-N -1 3 257.692 3.124 20 0 CGADHM CC1(C)CCC[C@]1(O)CNCc1cccc([O-])c1Cl ZINC000292991118 372271128 /nfs/dbraw/zinc/27/11/28/372271128.db2.gz OAKLMOUKGHXJCJ-HNNXBMFYSA-N -1 3 283.799 3.076 20 0 CGADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCC[C@@H]2CCC[C@H]21 ZINC000266204883 296183756 /nfs/dbraw/zinc/18/37/56/296183756.db2.gz IDUJKGPEGJISAO-BLLLJJGKSA-N -1 3 296.370 3.345 20 0 CGADHM O=C(CC1CCSCC1)Nc1cc(F)ccc1[O-] ZINC000161572125 372337281 /nfs/dbraw/zinc/33/72/81/372337281.db2.gz MTYPZKKNJWUQLQ-UHFFFAOYSA-N -1 3 269.341 3.003 20 0 CGADHM CC[C@H](C(=O)[O-])N(C)Cc1ccc(Cl)cc1Cl ZINC000044622151 541873636 /nfs/dbraw/zinc/87/36/36/541873636.db2.gz XERRODGGUNBTHO-LLVKDONJSA-N -1 3 276.163 3.288 20 0 CGADHM CCc1cc(=O)[n-]c(CN2CCC3(CCCCC3)CC2)n1 ZINC000344362774 217168644 /nfs/dbraw/zinc/16/86/44/217168644.db2.gz ITNQLUIMJSRFDC-UHFFFAOYSA-N -1 3 289.423 3.291 20 0 CGADHM C[C@@](O)(CNCc1cccc([O-])c1Cl)c1ccsc1 ZINC000293503587 372397632 /nfs/dbraw/zinc/39/76/32/372397632.db2.gz HPOFMPPCAXEKPX-CQSZACIVSA-N -1 3 297.807 3.104 20 0 CGADHM C[C@@H](Cc1ccc(O)cc1)NCc1c(F)ccc([O-])c1F ZINC000293515028 372399024 /nfs/dbraw/zinc/39/90/24/372399024.db2.gz CMBBHXONVFUNKC-JTQLQIEISA-N -1 3 293.313 3.097 20 0 CGADHM O=C(CC/C=C/c1ccccc1)[N-]OCCC(F)(F)F ZINC000162600687 372406095 /nfs/dbraw/zinc/40/60/95/372406095.db2.gz PZYGCRHZVDLTGU-XBXARRHUSA-N -1 3 287.281 3.480 20 0 CGADHM Cc1ccccc1[C@@H](C)CC(=O)[N-]OCCC(F)(F)F ZINC000162698794 372412632 /nfs/dbraw/zinc/41/26/32/372412632.db2.gz CPOVRQPHEMBBJA-NSHDSACASA-N -1 3 289.297 3.489 20 0 CGADHM CCO[C@H]1C[C@H]1c1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000293368893 372366377 /nfs/dbraw/zinc/36/63/77/372366377.db2.gz HKHHIMUDACJLBN-HIFRSBDPSA-N -1 3 296.326 3.488 20 0 CGADHM O=C(c1cc([O-])ccc1Cl)N1CC[C@H]2CCC[C@H]21 ZINC000335939758 296184462 /nfs/dbraw/zinc/18/44/62/296184462.db2.gz TZJPILDTWMYFIU-NOZJJQNGSA-N -1 3 265.740 3.060 20 0 CGADHM CCc1noc(CC)c1CNCc1c(F)ccc([O-])c1F ZINC000293714484 372459538 /nfs/dbraw/zinc/45/95/38/372459538.db2.gz UYXZIWFEEQXHBI-UHFFFAOYSA-N -1 3 296.317 3.073 20 0 CGADHM O=C(NCc1ccc([O-])c(F)c1)N1CC[C@@H]2CCCC[C@@H]21 ZINC000163644679 372484112 /nfs/dbraw/zinc/48/41/12/372484112.db2.gz WRPGAZZCEDUPAJ-JSGCOSHPSA-N -1 3 292.354 3.005 20 0 CGADHM CC(C)C[C@@H]1CCCN1C(=O)NCc1ccc([O-])c(F)c1 ZINC000163665378 372485819 /nfs/dbraw/zinc/48/58/19/372485819.db2.gz XXMYRNOMCWLHEE-ZDUSSCGKSA-N -1 3 294.370 3.251 20 0 CGADHM Cc1cccc2c(=O)c(C(=O)N3CC[C@@H](C)[C@H](C)C3)c[n-]c12 ZINC000165450227 372551210 /nfs/dbraw/zinc/55/12/10/372551210.db2.gz HOKQRIWVGZQUIN-DGCLKSJQSA-N -1 3 298.386 3.367 20 0 CGADHM COc1cccc(C(=O)N2CC(C3CCCCC3)C2)c1[O-] ZINC000294043674 372564559 /nfs/dbraw/zinc/56/45/59/372564559.db2.gz GKOLUQGVMOPQJV-UHFFFAOYSA-N -1 3 289.375 3.053 20 0 CGADHM CC(C)O[N-]C(=O)CCSc1ccc(Cl)cc1 ZINC000294046888 372565828 /nfs/dbraw/zinc/56/58/28/372565828.db2.gz JBJKKMKSUQXEGK-UHFFFAOYSA-N -1 3 273.785 3.278 20 0 CGADHM CC(C)(C)c1ccc(CN2CCC(C(=O)[O-])CC2)s1 ZINC000166276058 372569304 /nfs/dbraw/zinc/56/93/04/372569304.db2.gz CYONXLFRDZEORQ-UHFFFAOYSA-N -1 3 281.421 3.342 20 0 CGADHM COC(=O)c1[n-]c(=N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)sc1C ZINC000433765346 372627463 /nfs/dbraw/zinc/62/74/63/372627463.db2.gz KMQMGUOOSWECPI-QJPTWQEYSA-N -1 3 294.420 3.041 20 0 CGADHM CO[C@]1(C)CCCN(Cc2cccc([O-])c2Cl)CC1 ZINC000294250393 372628000 /nfs/dbraw/zinc/62/80/00/372628000.db2.gz AISZACRIKNBZDB-OAHLLOKOSA-N -1 3 283.799 3.437 20 0 CGADHM CSC[C@@H]1CCCN1Cc1cccc([O-])c1Cl ZINC000295249374 372718035 /nfs/dbraw/zinc/71/80/35/372718035.db2.gz FUJVHMLLKNCALF-NSHDSACASA-N -1 3 271.813 3.373 20 0 CGADHM CCc1cnc(CN(C)Cc2c(F)ccc([O-])c2F)s1 ZINC000295251046 372718549 /nfs/dbraw/zinc/71/85/49/372718549.db2.gz FXBGMKGRMYDVMF-UHFFFAOYSA-N -1 3 298.358 3.321 20 0 CGADHM C[C@@H]1CCC[C@H](CNC(=O)c2cccc([O-])c2)[C@@H]1C ZINC000435927692 372826757 /nfs/dbraw/zinc/82/67/57/372826757.db2.gz CYMSXSPGSHKTAB-YRGRVCCFSA-N -1 3 261.365 3.194 20 0 CGADHM CCC[C@@H](C)[C@H]1CCCN1C(=O)c1ccc(OC)cc1[O-] ZINC000436600855 372837477 /nfs/dbraw/zinc/83/74/77/372837477.db2.gz GKDMYWOMUMBSBS-IUODEOHRSA-N -1 3 291.391 3.442 20 0 CGADHM CCc1cc(=O)[n-]c(CSCc2cc(F)cc(F)c2)n1 ZINC000438307649 372921531 /nfs/dbraw/zinc/92/15/31/372921531.db2.gz QNYVSGBGZMNMNU-UHFFFAOYSA-N -1 3 296.342 3.456 20 0 CGADHM Cc1nc2ccc(C(=O)Nc3ccc(C)cc3[O-])cc2n1C ZINC000353515075 220129774 /nfs/dbraw/zinc/12/97/74/220129774.db2.gz KWCCWUIFHIKJRE-UHFFFAOYSA-N -1 3 295.342 3.148 20 0 CGADHM CCC[C@@]1(C)CCCN(C(=O)c2ccc3n[n-]nc3c2)C1 ZINC000173667615 373172639 /nfs/dbraw/zinc/17/26/39/373172639.db2.gz CRRYRRXIWPXLCB-INIZCTEOSA-N -1 3 286.379 3.000 20 0 CGADHM CC(C)C[C@]1(C)CCCN1C(=O)c1ccc(O)cc1[O-] ZINC000296463662 373143329 /nfs/dbraw/zinc/14/33/29/373143329.db2.gz ZTIUJENSDLDTOZ-INIZCTEOSA-N -1 3 277.364 3.139 20 0 CGADHM Cc1cc(NC(=O)c2cc(-c3ccco3)[n-]n2)c(C)cc1O ZINC000444655772 373220922 /nfs/dbraw/zinc/22/09/22/373220922.db2.gz XWUNSBUIAOBHGU-UHFFFAOYSA-N -1 3 297.314 3.244 20 0 CGADHM Cc1cc(NC(=O)c2cc(-c3ccco3)n[n-]2)c(C)cc1O ZINC000444655772 373220930 /nfs/dbraw/zinc/22/09/30/373220930.db2.gz XWUNSBUIAOBHGU-UHFFFAOYSA-N -1 3 297.314 3.244 20 0 CGADHM COc1ccc(O)cc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000444263963 373177431 /nfs/dbraw/zinc/17/74/31/373177431.db2.gz YODKTRXSQHVMQA-UHFFFAOYSA-N -1 3 293.706 3.012 20 0 CGADHM O=C([O-])[C@]12CCC[C@H]1CN(Cc1ccc(Cl)c(F)c1)C2 ZINC000296768388 373240108 /nfs/dbraw/zinc/24/01/08/373240108.db2.gz FSYTXPSFGYVHBA-NHYWBVRUSA-N -1 3 297.757 3.166 20 0 CGADHM Cc1c(C(=O)Nc2cc(F)ccc2[O-])cnn1C(C)(C)C ZINC000174902262 373377339 /nfs/dbraw/zinc/37/73/39/373377339.db2.gz CMZNPIGOXXRBEC-UHFFFAOYSA-N -1 3 291.326 3.044 20 0 CGADHM C[C@@H](CC1CCCCC1)NC(=O)c1c([O-])cccc1O ZINC000446728584 373348923 /nfs/dbraw/zinc/34/89/23/373348923.db2.gz OTASQBLENWPZEL-NSHDSACASA-N -1 3 277.364 3.187 20 0 CGADHM CCc1cc(=O)[n-]c(CN(C)[C@H](C)Cc2ccccc2C)n1 ZINC000447407203 373435584 /nfs/dbraw/zinc/43/55/84/373435584.db2.gz ZORQSQBAHSYEGZ-CQSZACIVSA-N -1 3 299.418 3.116 20 0 CGADHM C[C@@H]1CCCN(Cc2ccc(F)cc2Cl)[C@H]1C(=O)[O-] ZINC000300275193 373623747 /nfs/dbraw/zinc/62/37/47/373623747.db2.gz VYJNWLUERXCRHK-NOZJJQNGSA-N -1 3 285.746 3.164 20 0 CGADHM O=C([O-])[C@@H]1[C@H]2CCC[C@H]2CN1Cc1c(F)cccc1Cl ZINC000300006885 373618712 /nfs/dbraw/zinc/61/87/12/373618712.db2.gz WYKNDOCYDFGJLF-BHDSKKPTSA-N -1 3 297.757 3.164 20 0 CGADHM CCc1nnsc1C(=O)[N-]c1cc(Cl)ccc1F ZINC000302643916 373913531 /nfs/dbraw/zinc/91/35/31/373913531.db2.gz AFCIYAUKAIVKAK-UHFFFAOYSA-N -1 3 285.731 3.145 20 0 CGADHM Cc1scc(C(=O)Nc2cc(F)ccc2[O-])c1C ZINC000180489849 374014287 /nfs/dbraw/zinc/01/42/87/374014287.db2.gz KIEYGQAOTLVNJE-UHFFFAOYSA-N -1 3 265.309 3.462 20 0 CGADHM O=C(Nc1ncccc1[O-])c1cccc(OC2CCCC2)c1 ZINC000303327198 374016057 /nfs/dbraw/zinc/01/60/57/374016057.db2.gz IWYFBDXPORSKJH-UHFFFAOYSA-N -1 3 298.342 3.361 20 0 CGADHM CC[C@@H]1CCC[C@H](NC(=O)Cc2ccc([O-])c(F)c2)C1 ZINC000449924794 373975269 /nfs/dbraw/zinc/97/52/69/373975269.db2.gz RBUSBWWKSAKAIH-YPMHNXCESA-N -1 3 279.355 3.159 20 0 CGADHM CC(C)(C)C1=CCN(C(=O)Cc2ccc([O-])c(F)c2)CC1 ZINC000450280215 374038178 /nfs/dbraw/zinc/03/81/78/374038178.db2.gz ZVYUCXNAZVMZFB-UHFFFAOYSA-N -1 3 291.366 3.279 20 0 CGADHM CC[C@H](CC(F)(F)F)N=c1[n-]c(C(C)=O)c(C)s1 ZINC000450439565 374128688 /nfs/dbraw/zinc/12/86/88/374128688.db2.gz OQGZVNKFWVOGSM-MRVPVSSYSA-N -1 3 280.315 3.219 20 0 CGADHM CC(=O)c1[n-]c(=N[C@@H]2CCCC(F)(F)C2)sc1C ZINC000450392001 374100110 /nfs/dbraw/zinc/10/01/10/374100110.db2.gz MUKJLEYKBINKMA-SECBINFHSA-N -1 3 274.336 3.066 20 0 CGADHM CCc1cc(=O)[n-]c(CN[C@H](CC)c2ccc(C)cc2)n1 ZINC000181683302 374154137 /nfs/dbraw/zinc/15/41/37/374154137.db2.gz BOYSSJCCFIKZEY-OAHLLOKOSA-N -1 3 285.391 3.294 20 0 CGADHM O=C(/C=C/c1cncc([O-])c1)Nc1nc2ccccc2s1 ZINC000181826295 374178000 /nfs/dbraw/zinc/17/80/00/374178000.db2.gz SIGHELOMBLBCKV-AATRIKPKSA-N -1 3 297.339 3.049 20 0 CGADHM COc1ccc([C@@H](C)N(C)C(=O)c2cccc([O-])c2)cc1 ZINC000181839660 374179121 /nfs/dbraw/zinc/17/91/21/374179121.db2.gz OCPQLLRGYWLSEE-GFCCVEGCSA-N -1 3 285.343 3.234 20 0 CGADHM CCOc1cc(NC(=O)c2cccc([O-])c2)ccc1OC ZINC000182123184 374222069 /nfs/dbraw/zinc/22/20/69/374222069.db2.gz AJMLLEMKEXDQGC-UHFFFAOYSA-N -1 3 287.315 3.052 20 0 CGADHM CC1(C)CN(C(=O)Cc2ccc([O-])c(F)c2)[C@H]2CCC[C@H]21 ZINC000452154373 374254223 /nfs/dbraw/zinc/25/42/23/374254223.db2.gz HYQGUYQMLICATP-OCCSQVGLSA-N -1 3 291.366 3.111 20 0 CGADHM C[C@H](F)CCNC(=O)CCc1ccc2ccccc2c1[O-] ZINC000452157150 374255807 /nfs/dbraw/zinc/25/58/07/374255807.db2.gz WZDKHQWGXZTAAZ-LBPRGKRZSA-N -1 3 289.350 3.342 20 0 CGADHM Cc1cccc(C)c1OC[C@@H](C)NC(=O)c1cccc([O-])c1 ZINC000182223887 374238306 /nfs/dbraw/zinc/23/83/06/374238306.db2.gz WJHJYHQVGCOQBJ-CQSZACIVSA-N -1 3 299.370 3.206 20 0 CGADHM C[C@H](CNC(=O)c1cccc([O-])c1)c1ccc(F)cc1F ZINC000182527908 374286667 /nfs/dbraw/zinc/28/66/67/374286667.db2.gz HXWHARNOYXRTNS-SNVBAGLBSA-N -1 3 291.297 3.204 20 0 CGADHM COc1cccc(C(=O)N(C)[C@@H]2CCc3ccccc32)c1[O-] ZINC000078685008 541916977 /nfs/dbraw/zinc/91/69/77/541916977.db2.gz REYJOWMESDJBLZ-OAHLLOKOSA-N -1 3 297.354 3.160 20 0 CGADHM O=C([O-])[C@@H](NCc1cccc2cccnc21)c1ccccc1 ZINC000315600881 374330439 /nfs/dbraw/zinc/33/04/39/374330439.db2.gz POCPYHRZTHYAGE-KRWDZBQOSA-N -1 3 292.338 3.150 20 0 CGADHM Cc1ccc(F)cc1CN1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000317766378 374342154 /nfs/dbraw/zinc/34/21/54/374342154.db2.gz ATMFMXIJVZHFMH-QGZVFWFLSA-N -1 3 299.345 3.146 20 0 CGADHM C[C@H]1CC[C@@H](CC(=O)N2CCCc3cccc([O-])c32)C1 ZINC000182918912 374343723 /nfs/dbraw/zinc/34/37/23/374343723.db2.gz VDSJRJXYGIHEGZ-QWHCGFSZSA-N -1 3 273.376 3.498 20 0 CGADHM COc1cc(C(=O)Nc2c(C)cccc2[O-])ccc1F ZINC000183033815 374357538 /nfs/dbraw/zinc/35/75/38/374357538.db2.gz FCNLEBOJDNMCPI-UHFFFAOYSA-N -1 3 275.279 3.101 20 0 CGADHM C[C@H](NCc1cccc([O-])c1Cl)c1cccnc1 ZINC000328393783 374366267 /nfs/dbraw/zinc/36/62/67/374366267.db2.gz VAECSVDBTRGHDR-JTQLQIEISA-N -1 3 262.740 3.291 20 0 CGADHM Cc1ccc(F)c(OCC(=O)Nc2c(C)cccc2[O-])c1 ZINC000183081800 374370105 /nfs/dbraw/zinc/37/01/05/374370105.db2.gz FWSFGGDSXQXHMZ-UHFFFAOYSA-N -1 3 289.306 3.166 20 0 CGADHM O=C(CNc1ccccc1Cl)Nc1ccccc1[O-] ZINC000081932591 541927665 /nfs/dbraw/zinc/92/76/65/541927665.db2.gz GBJCXUNJGWEUKE-UHFFFAOYSA-N -1 3 276.723 3.096 20 0 CGADHM O=C(c1ccc2c(c1[O-])CCCC2)N1C[C@@H]2CCC[C@@H]2C1 ZINC000183115142 374374536 /nfs/dbraw/zinc/37/45/36/374374536.db2.gz CEUDFZVFOQLLQX-OKILXGFUSA-N -1 3 285.387 3.143 20 0 CGADHM C[C@H](C(=O)Nc1ccc([O-])cc1F)c1cccc(F)c1 ZINC000183258112 374393409 /nfs/dbraw/zinc/39/34/09/374393409.db2.gz QULOCNMRSYLZNB-VIFPVBQESA-N -1 3 277.270 3.413 20 0 CGADHM CC(C)(C)c1ccc(NC(=O)C[C@@H]2CCCO2)c([O-])c1 ZINC000330396100 374458515 /nfs/dbraw/zinc/45/85/15/374458515.db2.gz KBHHPKSFEZFWAZ-LBPRGKRZSA-N -1 3 277.364 3.197 20 0 CGADHM CCc1ccc([O-])c(C(=O)NCCC[C@H]2CCCCO2)c1 ZINC000184325041 374513815 /nfs/dbraw/zinc/51/38/15/374513815.db2.gz HISDRSKVPJUCAC-CQSZACIVSA-N -1 3 291.391 3.034 20 0 CGADHM COc1cccc(C(=O)Nc2scnc2C(C)C)c1[O-] ZINC000456450780 374547105 /nfs/dbraw/zinc/54/71/05/374547105.db2.gz HHFIYDOMHJJGLK-UHFFFAOYSA-N -1 3 292.360 3.233 20 0 CGADHM Cc1nc([N-]C(=O)c2ncsc2C(F)(F)F)cs1 ZINC000334221678 206211270 /nfs/dbraw/zinc/21/12/70/206211270.db2.gz XIHPWFFFPIZUQC-UHFFFAOYSA-N -1 3 293.295 3.179 20 0 CGADHM CSc1cc2c(cc1[N-]C(=O)c1ccco1)OCCO2 ZINC000334169747 374652964 /nfs/dbraw/zinc/65/29/64/374652964.db2.gz BANRMHGZMRFPOA-UHFFFAOYSA-N -1 3 291.328 3.025 20 0 CGADHM CC(=O)CCCC(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000185623639 374701185 /nfs/dbraw/zinc/70/11/85/374701185.db2.gz ANFLGNUWKJODMY-UHFFFAOYSA-N -1 3 289.253 3.109 20 0 CGADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@H]1CCSC1 ZINC000334508983 374806899 /nfs/dbraw/zinc/80/68/99/374806899.db2.gz QPTHGBYVECUZHJ-ZETCQYMHSA-N -1 3 291.294 3.103 20 0 CGADHM COc1ccc2c(c1)CN(Cc1cc([O-])cc(F)c1)CC2 ZINC000186197580 374812195 /nfs/dbraw/zinc/81/21/95/374812195.db2.gz LHBKDQGJMZDPEQ-UHFFFAOYSA-N -1 3 287.334 3.098 20 0 CGADHM Cc1ncsc1C(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000186327047 374834098 /nfs/dbraw/zinc/83/40/98/374834098.db2.gz AQGJJNRHCLZECU-SECBINFHSA-N -1 3 288.372 3.311 20 0 CGADHM Cc1ccccc1[C@@H]1CCCN1C(=O)c1csc(=O)[n-]1 ZINC000334629654 374922366 /nfs/dbraw/zinc/92/23/66/374922366.db2.gz CRXLIBSUACRRFX-ZDUSSCGKSA-N -1 3 288.372 3.134 20 0 CGADHM COC(=O)c1cnc(S[C@H](C)c2cccc(C)c2)[n-]1 ZINC000187587070 375050317 /nfs/dbraw/zinc/05/03/17/375050317.db2.gz CVTSMIVWPXVVME-SNVBAGLBSA-N -1 3 276.361 3.358 20 0 CGADHM COC(=O)c1cnc(SCc2cc(C)ccc2C)[n-]1 ZINC000187592822 375050515 /nfs/dbraw/zinc/05/05/15/375050515.db2.gz XHRWTKHXFDZEED-UHFFFAOYSA-N -1 3 276.361 3.105 20 0 CGADHM COC(=O)c1cnc(SC[C@H](C)c2ccccc2)[n-]1 ZINC000187594151 375051717 /nfs/dbraw/zinc/05/17/17/375051717.db2.gz GPLQJYIVCIYLAA-JTQLQIEISA-N -1 3 276.361 3.092 20 0 CGADHM Cc1cc(S(=O)(=O)[N-]CC2CCCC2)sc1Cl ZINC000473901171 375065478 /nfs/dbraw/zinc/06/54/78/375065478.db2.gz KFQOUUYFDOXZCX-UHFFFAOYSA-N -1 3 293.841 3.178 20 0 CGADHM CC(F)(F)C(C)(C)c1nc(-c2ccc([O-])cc2)no1 ZINC000335153052 375181202 /nfs/dbraw/zinc/18/12/02/375181202.db2.gz UIMKNZPWNOYUIK-UHFFFAOYSA-N -1 3 268.263 3.375 20 0 CGADHM Cc1sc2[n-]c(CC(F)(F)F)nc(=O)c2c1C ZINC000335233884 375251183 /nfs/dbraw/zinc/25/11/83/375251183.db2.gz JRVZUAGUUCQZGG-UHFFFAOYSA-N -1 3 262.256 3.119 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])c1cn2ccnc2s1 ZINC000188355882 375202207 /nfs/dbraw/zinc/20/22/07/375202207.db2.gz CGJPJPREVHFGIG-UHFFFAOYSA-N -1 3 293.735 3.007 20 0 CGADHM Cc1ccc(CN2CC[C@@H](C)[C@@H](C(=O)[O-])C2)cc1Cl ZINC000335439787 375293503 /nfs/dbraw/zinc/29/35/03/375293503.db2.gz AMQOUSVUMRVZPJ-MFKMUULPSA-N -1 3 281.783 3.191 20 0 CGADHM C[C@H]1CCN(Cc2cc3cc(F)ccc3o2)C[C@@H]1C(=O)[O-] ZINC000335443284 375297716 /nfs/dbraw/zinc/29/77/16/375297716.db2.gz MZPFNPMEGVMBEG-HZMBPMFUSA-N -1 3 291.322 3.115 20 0 CGADHM C[C@@H]1N(Cc2c(F)ccc([O-])c2F)CCC12CCOCC2 ZINC000335944165 375559557 /nfs/dbraw/zinc/55/95/57/375559557.db2.gz NTYQBZFXLYADLD-NSHDSACASA-N -1 3 297.345 3.061 20 0 CGADHM C[C@H](NC(=O)c1cc([O-])ccc1Cl)c1ccncc1F ZINC000335945383 375560906 /nfs/dbraw/zinc/56/09/06/375560906.db2.gz JPBPCHVXIWWRSL-QMMMGPOBSA-N -1 3 294.713 3.071 20 0 CGADHM CCCOc1ccc(CNC(=O)c2cccc([O-])c2)c(C)c1 ZINC000191119119 375579356 /nfs/dbraw/zinc/57/93/56/375579356.db2.gz VGGCNWQCGPECLB-UHFFFAOYSA-N -1 3 299.370 3.419 20 0 CGADHM CC[C@@H](C(=O)[O-])N(CC)Cc1ccccc1Cl ZINC000191403843 375624649 /nfs/dbraw/zinc/62/46/49/375624649.db2.gz BTACJVGYPQAHTN-LBPRGKRZSA-N -1 3 255.745 3.025 20 0 CGADHM NC(=O)[C@@H]1CCC[C@H](C(=O)Nc2ccc(Cl)cc2[O-])C1 ZINC000336043552 375642685 /nfs/dbraw/zinc/64/26/85/375642685.db2.gz LZHALRCZTFMWSM-BDAKNGLRSA-N -1 3 296.754 3.326 20 0 CGADHM Cc1cccc(C(=O)N2CC(c3ccccc3F)C2)c1[O-] ZINC000336143940 375721514 /nfs/dbraw/zinc/72/15/14/375721514.db2.gz ZUDXNDFCJPGUKN-UHFFFAOYSA-N -1 3 285.318 3.079 20 0 CGADHM Cc1cccc([O-])c1NC(=O)[C@H]1Cc2ccccc2S1 ZINC000336148557 375727164 /nfs/dbraw/zinc/72/71/64/375727164.db2.gz FUVMHPYGXPYWIS-CQSZACIVSA-N -1 3 285.368 3.356 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N(C)CCCc2ccccc2)n1 ZINC000192541308 375762553 /nfs/dbraw/zinc/76/25/53/375762553.db2.gz GRPHUAQCQACMEQ-AWEZNQCLSA-N -1 3 285.391 3.116 20 0 CGADHM CCCn1c(=O)[n-]nc1SC[C@@H]1CCCC(F)(F)C1 ZINC000509088976 375771037 /nfs/dbraw/zinc/77/10/37/375771037.db2.gz HREVXXODBOILLC-SECBINFHSA-N -1 3 291.367 3.311 20 0 CGADHM C[C@H]1CCN(Cc2ccc(F)cc2C(=O)[O-])CC1(C)C ZINC000514867288 375806951 /nfs/dbraw/zinc/80/69/51/375806951.db2.gz SXTRKWNPKYYOTC-NSHDSACASA-N -1 3 279.355 3.392 20 0 CGADHM O=C(CSc1cccs1)Nc1ccccc1[O-] ZINC000193039533 375818354 /nfs/dbraw/zinc/81/83/54/375818354.db2.gz WSZSQYDLXAUIPU-UHFFFAOYSA-N -1 3 265.359 3.185 20 0 CGADHM CC1=C(c2ccco2)CN(C(=O)c2ccccc2[O-])CC1 ZINC000336586831 375853997 /nfs/dbraw/zinc/85/39/97/375853997.db2.gz RSOYISZDTYQJHM-UHFFFAOYSA-N -1 3 283.327 3.305 20 0 CGADHM CCc1oc(C(=O)[O-])cc1CN1CCC(C(C)C)CC1 ZINC000520416977 375855040 /nfs/dbraw/zinc/85/50/40/375855040.db2.gz ZTVIOUIBRFXICT-UHFFFAOYSA-N -1 3 279.380 3.408 20 0 CGADHM COc1cc(C(=O)[N-]c2c(C)c(F)ccc2Cl)on1 ZINC000336607054 375869780 /nfs/dbraw/zinc/86/97/80/375869780.db2.gz JWXYGCVJNPYPGJ-UHFFFAOYSA-N -1 3 284.674 3.036 20 0 CGADHM C[C@@H]1CCCC[C@H]1CC(=O)N=c1cc(-c2cccnc2)[n-][nH]1 ZINC000534386661 375983296 /nfs/dbraw/zinc/98/32/96/375983296.db2.gz PDOFULKGFKZALC-OLZOCXBDSA-N -1 3 298.390 3.049 20 0 CGADHM O=C([O-])[C@@]1(C(F)(F)F)CCN(C/C=C\c2ccccc2)C1 ZINC000211995749 376137199 /nfs/dbraw/zinc/13/71/99/376137199.db2.gz DXCMWSLYHGMKGB-HJHHMULASA-N -1 3 299.292 3.039 20 0 CGADHM C[C@H](c1ccc(F)cc1F)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000262177343 190050217 /nfs/dbraw/zinc/05/02/17/190050217.db2.gz PSOOPPCFPWWMGR-OHUAYANFSA-N -1 3 295.329 3.213 20 0 CGADHM Cc1ccc([O-])c(CN2CCc3cccc(F)c3[C@H]2C)n1 ZINC000539826132 376335695 /nfs/dbraw/zinc/33/56/95/376335695.db2.gz MESNKPULYGQBLJ-GFCCVEGCSA-N -1 3 286.350 3.354 20 0 CGADHM O=C(N[C@H](CC1CCCCC1)c1ccccc1)c1c[n-]nn1 ZINC000338395145 376363132 /nfs/dbraw/zinc/36/31/32/376363132.db2.gz OEEHFNCLVNIOCS-OAHLLOKOSA-N -1 3 298.390 3.246 20 0 CGADHM O=C(N[C@H](CC1CCCCC1)c1ccccc1)c1cnn[n-]1 ZINC000338395145 376363136 /nfs/dbraw/zinc/36/31/36/376363136.db2.gz OEEHFNCLVNIOCS-OAHLLOKOSA-N -1 3 298.390 3.246 20 0 CGADHM O=C(N[C@H](CC1CCCCC1)c1ccccc1)c1cn[n-]n1 ZINC000338395145 376363142 /nfs/dbraw/zinc/36/31/42/376363142.db2.gz OEEHFNCLVNIOCS-OAHLLOKOSA-N -1 3 298.390 3.246 20 0 CGADHM CC[C@H](NC(=O)c1ccc([O-])c(C)c1)c1nccs1 ZINC000226997874 376377995 /nfs/dbraw/zinc/37/79/95/376377995.db2.gz FRGKHJQFRKRCCP-NSHDSACASA-N -1 3 276.361 3.038 20 0 CGADHM Cc1cc(C(=O)Nc2nc(C3CC3)cs2)ccc1[O-] ZINC000227021141 376379421 /nfs/dbraw/zinc/37/94/21/376379421.db2.gz QQLYFSCABQMSAA-UHFFFAOYSA-N -1 3 274.345 3.287 20 0 CGADHM C[C@H]1CCC[C@@H](OCC(=O)Nc2ccc([O-])cc2F)C1 ZINC000541892484 376493544 /nfs/dbraw/zinc/49/35/44/376493544.db2.gz WELSOIHRKHVALH-CMPLNLGQSA-N -1 3 281.327 3.065 20 0 CGADHM CC[C@@H]1CC[C@H](C)N1C(=O)c1cc([O-])ccc1Cl ZINC000233915877 376608315 /nfs/dbraw/zinc/60/83/15/376608315.db2.gz QAZXKAFTLOVEQX-VHSXEESVSA-N -1 3 267.756 3.449 20 0 CGADHM CCN(C(=O)c1cc([O-])ccc1Cl)C1CCCC1 ZINC000233444011 376598013 /nfs/dbraw/zinc/59/80/13/376598013.db2.gz XABGIDUZMKYEGH-UHFFFAOYSA-N -1 3 267.756 3.450 20 0 CGADHM Cc1cncc(NC(=O)c2cc([O-])ccc2Cl)c1 ZINC000232078735 376577253 /nfs/dbraw/zinc/57/72/53/376577253.db2.gz VDNKJNWNFSQYIS-UHFFFAOYSA-N -1 3 262.696 3.001 20 0 CGADHM CC(C)c1ccc(C(=O)N(C)C[C@@H]2CCCOC2)c([O-])c1 ZINC000264460055 190111060 /nfs/dbraw/zinc/11/10/60/190111060.db2.gz ISMCJOFHYBPZPQ-ZDUSSCGKSA-N -1 3 291.391 3.014 20 0 CGADHM Cc1ccc(CNC(=O)c2cc([O-])ccc2Cl)s1 ZINC000235899944 376652551 /nfs/dbraw/zinc/65/25/51/376652551.db2.gz IRRUFEJNPUZJJU-UHFFFAOYSA-N -1 3 281.764 3.346 20 0 CGADHM CC/C=C(\C)c1nc(-c2ccc([O-])c(OC)c2)no1 ZINC000264581658 190120378 /nfs/dbraw/zinc/12/03/78/190120378.db2.gz GUERHTZMGVTLSO-WEVVVXLNSA-N -1 3 260.293 3.264 20 0 CGADHM Cc1nc(CN2CCC[C@@H](C(C)(C)C(=O)[O-])C2)sc1C ZINC000135036782 542086473 /nfs/dbraw/zinc/08/64/73/542086473.db2.gz CWDKSJFHCFQZPD-GFCCVEGCSA-N -1 3 296.436 3.083 20 0 CGADHM O=C(NC[C@H]1CC=CCC1)c1cc([O-])ccc1Cl ZINC000236614270 376672366 /nfs/dbraw/zinc/67/23/66/376672366.db2.gz ZGVUJPUXLZIYPB-JTQLQIEISA-N -1 3 265.740 3.132 20 0 CGADHM CN(C(=O)c1ccc(O)cc1[O-])[C@H]1CCCc2ccccc21 ZINC000543747275 376673120 /nfs/dbraw/zinc/67/31/20/376673120.db2.gz KEPMADRLURJSRG-INIZCTEOSA-N -1 3 297.354 3.247 20 0 CGADHM COc1ccc(NC(=O)c2c(C)cccc2C)c([O-])c1 ZINC000135452877 542087976 /nfs/dbraw/zinc/08/79/76/542087976.db2.gz LNTXPYWHUXMONA-UHFFFAOYSA-N -1 3 271.316 3.270 20 0 CGADHM O=C(Nc1ncccc1[O-])[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000339658157 376790475 /nfs/dbraw/zinc/79/04/75/376790475.db2.gz QBKPWYSMPPZYBR-RWMBFGLXSA-N -1 3 274.364 3.332 20 0 CGADHM Cc1sc(C(=O)[O-])cc1CN(C)Cc1ccccc1 ZINC000155950885 542125440 /nfs/dbraw/zinc/12/54/40/542125440.db2.gz ZBMGTILNBPYQLH-UHFFFAOYSA-N -1 3 275.373 3.387 20 0 CGADHM CC(C)CO[C@H](C)C(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000545246653 376803166 /nfs/dbraw/zinc/80/31/66/376803166.db2.gz QATPEIXUULAWMJ-QWHCGFSZSA-N -1 3 291.391 3.294 20 0 CGADHM COc1ccc(C(=O)Nc2ccc(C)cc2[O-])c(C)c1 ZINC000340032719 376893845 /nfs/dbraw/zinc/89/38/45/376893845.db2.gz CTTSKYDGZXLKRS-UHFFFAOYSA-N -1 3 271.316 3.270 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CCC=C(c3ccccn3)C2)c1 ZINC000560788121 377191542 /nfs/dbraw/zinc/19/15/42/377191542.db2.gz AFVNURLHALEPLW-UHFFFAOYSA-N -1 3 294.354 3.025 20 0 CGADHM Cc1occc1C(=O)Nc1c([O-])cccc1Cl ZINC000560822285 377193653 /nfs/dbraw/zinc/19/36/53/377193653.db2.gz IPTRCCMUIWUMMZ-UHFFFAOYSA-N -1 3 251.669 3.199 20 0 CGADHM O=C([O-])C1(NCc2ccc(-c3ccccc3F)o2)CCC1 ZINC000340680180 377211500 /nfs/dbraw/zinc/21/15/00/377211500.db2.gz NTIXXSZPGJESRO-UHFFFAOYSA-N -1 3 289.306 3.183 20 0 CGADHM CCCCn1c(SCCC(C)(C)C)n[n-]c1=O ZINC000340667572 377201307 /nfs/dbraw/zinc/20/13/07/377201307.db2.gz QFTKUCYFUMNHDK-UHFFFAOYSA-N -1 3 257.403 3.312 20 0 CGADHM [O-]c1ccccc1-c1nc(Cc2ccc(F)cc2F)no1 ZINC000083882627 249007974 /nfs/dbraw/zinc/00/79/74/249007974.db2.gz OOIWMTNYEQKHDY-UHFFFAOYSA-N -1 3 288.253 3.311 20 0 CGADHM Cc1cscc1CNC(=O)c1ccc(C)cc1[O-] ZINC000094879069 249043580 /nfs/dbraw/zinc/04/35/80/249043580.db2.gz QDBJSXGKPZPGTP-UHFFFAOYSA-N -1 3 261.346 3.001 20 0 CGADHM O=C(Nc1cc(C(F)(F)F)ccc1[O-])C1[C@@H]2CCC[C@H]12 ZINC000178159525 249053564 /nfs/dbraw/zinc/05/35/64/249053564.db2.gz KILAHILGWIQRSI-USUYBEQLSA-N -1 3 285.265 3.396 20 0 CGADHM COc1cccc(C(=O)NCc2ccc(C(C)C)cc2)c1[O-] ZINC000315422136 249098820 /nfs/dbraw/zinc/09/88/20/249098820.db2.gz MNFZMUDEEGPXHB-UHFFFAOYSA-N -1 3 299.370 3.454 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)N2Cc3ccccc3C(C)(C)C2)n1 ZINC000516709313 249242323 /nfs/dbraw/zinc/24/23/23/249242323.db2.gz HYLSULJYWJVLHZ-CYBMUJFWSA-N -1 3 297.402 3.345 20 0 CGADHM CC1(C)CCC[C@@H]1CNC(=O)c1c[n-]nc1-c1ccccn1 ZINC000515397496 249211113 /nfs/dbraw/zinc/21/11/13/249211113.db2.gz WLQNYMYHGWDQRG-GFCCVEGCSA-N -1 3 298.390 3.028 20 0 CGADHM CCS[C@@H]1CCCCN(Cc2occc2C(=O)[O-])C1 ZINC000574164377 377628885 /nfs/dbraw/zinc/62/88/85/377628885.db2.gz KNZJDBRVBPPFIM-LLVKDONJSA-N -1 3 283.393 3.085 20 0 CGADHM Cc1cccc([O-])c1NC(=O)/C=C\c1nc2ccccc2o1 ZINC000254931824 377717111 /nfs/dbraw/zinc/71/71/11/377717111.db2.gz WKYZCYAAHWUESQ-KTKRTIGZSA-N -1 3 294.310 3.494 20 0 CGADHM CC(F)(F)CCN(CC(=O)[O-])Cc1ccc(Cl)cc1 ZINC000575065570 377745350 /nfs/dbraw/zinc/74/53/50/377745350.db2.gz QPVVMAIBYIHEHU-UHFFFAOYSA-N -1 3 291.725 3.272 20 0 CGADHM C[C@@H]1[C@H](C(=O)[O-])CCCN1C/C=C/c1ccc(F)cc1F ZINC000263099172 377919807 /nfs/dbraw/zinc/91/98/07/377919807.db2.gz WGDMGGRACVJYCL-AXPCMMDPSA-N -1 3 295.329 3.163 20 0 CGADHM CC(C)Cc1ncc(CN2C[C@H](C(=O)[O-])CC[C@@H]2C)s1 ZINC000263311151 377926875 /nfs/dbraw/zinc/92/68/75/377926875.db2.gz HZCSKPUGAAKIKM-NWDGAFQWSA-N -1 3 296.436 3.027 20 0 CGADHM CCCc1cc(C(=O)[N-]c2ncsc2C(C)C)no1 ZINC000577834498 378016912 /nfs/dbraw/zinc/01/69/12/378016912.db2.gz BKEDEZFAEJUTRY-UHFFFAOYSA-N -1 3 279.365 3.459 20 0 CGADHM [O-]c1cccnc1CN[C@H](CC(F)F)c1ccccc1 ZINC000575912554 378000228 /nfs/dbraw/zinc/00/02/28/378000228.db2.gz ADMFDDQNTBXFLF-GFCCVEGCSA-N -1 3 278.302 3.273 20 0 CGADHM C[C@@H](C(=O)[O-])N(Cc1cc(F)ccc1Cl)C1CCC1 ZINC000575935806 378001192 /nfs/dbraw/zinc/00/11/92/378001192.db2.gz FBAHIAGCLPKLGU-VIFPVBQESA-N -1 3 285.746 3.307 20 0 CGADHM Cc1ccc([C@H]2CCCN2Cc2ncccc2[O-])o1 ZINC000578263727 378053406 /nfs/dbraw/zinc/05/34/06/378053406.db2.gz RYKZOKISPMXNSR-CYBMUJFWSA-N -1 3 258.321 3.026 20 0 CGADHM COCc1nc(S[C@@H](C)c2ncc(C(C)(C)C)o2)n[n-]1 ZINC000268516286 378069677 /nfs/dbraw/zinc/06/96/77/378069677.db2.gz YOOIXBITAPQUBR-QMMMGPOBSA-N -1 3 296.396 3.090 20 0 CGADHM CCc1cccc(Cl)c1CN1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000578532173 378078346 /nfs/dbraw/zinc/07/83/46/378078346.db2.gz FCUAXUOROXGIPC-YPMHNXCESA-N -1 3 295.810 3.445 20 0 CGADHM CCCC1(C[N-]S(=O)(=O)c2ccccc2F)CCC1 ZINC000343857616 378115697 /nfs/dbraw/zinc/11/56/97/378115697.db2.gz UUXYIYUWOJUSDV-UHFFFAOYSA-N -1 3 285.384 3.074 20 0 CGADHM O=c1cc(CNc2cc(F)ccc2Cl)nc(C2CC2)[n-]1 ZINC000578978981 378119289 /nfs/dbraw/zinc/11/92/89/378119289.db2.gz STLUCFKZCMDSGR-UHFFFAOYSA-N -1 3 293.729 3.464 20 0 CGADHM O=C(Nc1cc(C(F)(F)F)ccc1[O-])c1cc(F)c[nH]1 ZINC000343897404 378127895 /nfs/dbraw/zinc/12/78/95/378127895.db2.gz NTTUQUKJFNUODP-UHFFFAOYSA-N -1 3 288.200 3.131 20 0 CGADHM CC[C@H](NC(=O)c1c[n-]nc1-c1ccccn1)[C@H]1CC1(C)C ZINC000579209884 378140911 /nfs/dbraw/zinc/14/09/11/378140911.db2.gz LDERZAPIFUFIFK-OLZOCXBDSA-N -1 3 298.390 3.026 20 0 CGADHM C[C@@H]1CC2(CCC2)CN1Cc1ccc(C(=O)[O-])cc1F ZINC000578660412 378088977 /nfs/dbraw/zinc/08/89/77/378088977.db2.gz GEANZPTUDMANLM-LLVKDONJSA-N -1 3 277.339 3.288 20 0 CGADHM CO[C@@]1(C)C[C@@H](N(C)Cc2ccc(C(=O)[O-])s2)C1(C)C ZINC000580956250 378271573 /nfs/dbraw/zinc/27/15/73/378271573.db2.gz ZQLDCJKIDZHMDV-DOMZBBRYSA-N -1 3 297.420 3.082 20 0 CGADHM CC(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2CC(C)C)c1[O-] ZINC000580954724 378271780 /nfs/dbraw/zinc/27/17/80/378271780.db2.gz ZXVHYNOCVZSDNN-DGCLKSJQSA-N -1 3 275.348 3.216 20 0 CGADHM CC[C@@H]1CCCC[C@@H]1OCC(=O)Nc1ccc([O-])cc1F ZINC000345422825 378281069 /nfs/dbraw/zinc/28/10/69/378281069.db2.gz YSTWCJNMVOJIIF-ABAIWWIYSA-N -1 3 295.354 3.455 20 0 CGADHM C[C@H]1Cc2ccccc2CN1Cc1ccsc1C(=O)[O-] ZINC000580778230 378258460 /nfs/dbraw/zinc/25/84/60/378258460.db2.gz GZGQTGNDQBBUKQ-NSHDSACASA-N -1 3 287.384 3.393 20 0 CGADHM C[C@H]1CC[C@@H](C(=O)Nc2cc(Cl)ccc2[O-])C1 ZINC000345567438 378313051 /nfs/dbraw/zinc/31/30/51/378313051.db2.gz BJWXFIBOJSLOMA-DTWKUNHWSA-N -1 3 253.729 3.420 20 0 CGADHM CCN(Cc1ccc(C(=O)[O-])c(Cl)c1)C[C@@H]1CCCO1 ZINC000583877653 378354996 /nfs/dbraw/zinc/35/49/96/378354996.db2.gz UCMPRVRCGFPBSF-LBPRGKRZSA-N -1 3 297.782 3.039 20 0 CGADHM Cc1ccc(C[C@H](C)C(=O)Nc2nc(C)ccc2[O-])cc1 ZINC000345926581 378410216 /nfs/dbraw/zinc/41/02/16/378410216.db2.gz LWJOBKQHOYQWEX-LBPRGKRZSA-N -1 3 284.359 3.221 20 0 CGADHM Cc1ccc([O-])c(CN2C[C@@H](C)O[C@@H](c3ccccc3)C2)n1 ZINC000271161222 378466256 /nfs/dbraw/zinc/46/62/56/378466256.db2.gz XWUDREJNFFJSCG-RDTXWAMCSA-N -1 3 298.386 3.058 20 0 CGADHM Cc1ccc([O-])c(NC(=O)[C@H](C)c2c(F)cccc2F)n1 ZINC000345946881 378417415 /nfs/dbraw/zinc/41/74/15/378417415.db2.gz UUKMCJFKICXPOG-SECBINFHSA-N -1 3 292.285 3.116 20 0 CGADHM C[C@@H]1CC[C@H](NC(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000346368882 378557806 /nfs/dbraw/zinc/55/78/06/378557806.db2.gz WFZWPYLSAJNJSZ-YPMHNXCESA-N -1 3 279.355 3.159 20 0 CGADHM CCSCC[C@H](C)N(C)C(=O)c1ccc([O-])c(C)c1 ZINC000272418673 378633239 /nfs/dbraw/zinc/63/32/39/378633239.db2.gz JUJZPCSEJUDWEO-LBPRGKRZSA-N -1 3 281.421 3.304 20 0 CGADHM COCCN(C(=O)c1cccc([O-])c1)[C@@H](C)c1ccccc1 ZINC000272859153 378713872 /nfs/dbraw/zinc/71/38/72/378713872.db2.gz UMFMKAPTGLACHE-AWEZNQCLSA-N -1 3 299.370 3.242 20 0 CGADHM CC[C@@H](NCc1cnc(C)[n-]c1=O)c1ccc(F)cc1F ZINC000346800039 218019252 /nfs/dbraw/zinc/01/92/52/218019252.db2.gz QSDFDPSCRQUSMR-CQSZACIVSA-N -1 3 293.317 3.010 20 0 CGADHM C[C@H]1CCCCN(C(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC000274749917 378887246 /nfs/dbraw/zinc/88/72/46/378887246.db2.gz NTHVZVDCFFCTJC-LBPRGKRZSA-N -1 3 284.359 3.203 20 0 CGADHM CC(C)(CNCc1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000276993541 379039887 /nfs/dbraw/zinc/03/98/87/379039887.db2.gz KECAYCXRKCFKAI-UHFFFAOYSA-N -1 3 276.163 3.194 20 0 CGADHM CCOc1cccc(CNCc2ccccc2CC(=O)[O-])c1 ZINC000276997313 379041540 /nfs/dbraw/zinc/04/15/40/379041540.db2.gz KTDHGDOYDJABPF-UHFFFAOYSA-N -1 3 299.370 3.002 20 0 CGADHM COc1cc(C(=O)N[C@H]2CCCCC2(C)C)ccc1[O-] ZINC000276937429 379027203 /nfs/dbraw/zinc/02/72/03/379027203.db2.gz PBXFRJLQSSPUSU-AWEZNQCLSA-N -1 3 277.364 3.099 20 0 CGADHM CC(C)[C@H](CNCc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000277232275 379105499 /nfs/dbraw/zinc/10/54/99/379105499.db2.gz IOQIHLCILADGSE-NSHDSACASA-N -1 3 290.190 3.440 20 0 CGADHM Cc1ccc(C(=O)N2CC[C@H](CC(F)(F)F)C2)c([O-])c1 ZINC000277463466 379165418 /nfs/dbraw/zinc/16/54/18/379165418.db2.gz PFUXLKHNKOSLBQ-SNVBAGLBSA-N -1 3 287.281 3.115 20 0 CGADHM CCCC[C@H](NCc1ccc(Cl)cc1F)C(=O)[O-] ZINC000277366032 379142984 /nfs/dbraw/zinc/14/29/84/379142984.db2.gz QBWWHUCQENLJGC-LBPRGKRZSA-N -1 3 273.735 3.212 20 0 CGADHM O=C([O-])[C@H]1CCCCCC[C@@H]1NCc1cccnc1Cl ZINC000277530982 379182850 /nfs/dbraw/zinc/18/28/50/379182850.db2.gz ZFIGKAJXUPNUDA-STQMWFEESA-N -1 3 296.798 3.248 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)N[C@H](C)c2ccc(F)c(C)c2)n1 ZINC000279151231 379414717 /nfs/dbraw/zinc/41/47/17/379414717.db2.gz ZUADTSQHRNYWOL-VXGBXAGGSA-N -1 3 289.354 3.350 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)SCCC(F)(F)F)n1 ZINC000279858043 379536823 /nfs/dbraw/zinc/53/68/23/379536823.db2.gz FMGIHTQORVRFPC-ZETCQYMHSA-N -1 3 266.288 3.237 20 0 CGADHM COC(C)(C)CC(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000279933360 379556118 /nfs/dbraw/zinc/55/61/18/379556118.db2.gz RCLJXKLODVHRJN-UHFFFAOYSA-N -1 3 291.269 3.165 20 0 CGADHM CCOc1nc2cc(C(=O)NC3CCCCC3)ccc2[n-]1 ZINC000347668343 218312749 /nfs/dbraw/zinc/31/27/49/218312749.db2.gz JYZICJGKQVEMEY-UHFFFAOYSA-N -1 3 287.363 3.024 20 0 CGADHM CCOc1nc2ccc(C(=O)NC3CCCCC3)cc2[n-]1 ZINC000347668343 218312752 /nfs/dbraw/zinc/31/27/52/218312752.db2.gz JYZICJGKQVEMEY-UHFFFAOYSA-N -1 3 287.363 3.024 20 0 CGADHM Cc1cc(C)n([C@@H](C)Cc2nc(-c3ccc([O-])cc3)no2)n1 ZINC000350571399 379564820 /nfs/dbraw/zinc/56/48/20/379564820.db2.gz CGUZDOYCFNIFLD-LBPRGKRZSA-N -1 3 298.346 3.059 20 0 CGADHM CC(=O)c1ccc(-c2nc(-c3ccc([O-])cc3)no2)cc1 ZINC000350585657 379566759 /nfs/dbraw/zinc/56/67/59/379566759.db2.gz ULHZMYHWZIGUIF-UHFFFAOYSA-N -1 3 280.283 3.312 20 0 CGADHM Cc1nc2sccn2c1-c1noc(-c2ccccc2[O-])n1 ZINC000350938621 379617152 /nfs/dbraw/zinc/61/71/52/379617152.db2.gz NNGOBDSPNZGRID-UHFFFAOYSA-N -1 3 298.327 3.127 20 0 CGADHM CCO[C@H](C(=O)[N-]c1onc(C)c1C)c1ccccc1 ZINC000267186323 190310125 /nfs/dbraw/zinc/31/01/25/190310125.db2.gz JKTCIUPQCVMRKF-ZDUSSCGKSA-N -1 3 274.320 3.008 20 0 CGADHM CSC1(C(=O)Nc2ccc(Cl)cc2[O-])CCC1 ZINC000334608078 206793679 /nfs/dbraw/zinc/79/36/79/206793679.db2.gz XYFWMWIFCMVRIU-UHFFFAOYSA-N -1 3 271.769 3.270 20 0 CGADHM C[C@H]1CCC[C@@H]1NC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000280500149 379717879 /nfs/dbraw/zinc/71/78/79/379717879.db2.gz KWLMDZFFXRHCEH-UFBFGSQYSA-N -1 3 287.281 3.329 20 0 CGADHM CCC[C@H](NC(=O)c1cccc([O-])c1)[C@H](O)c1ccccc1 ZINC000280532306 379725090 /nfs/dbraw/zinc/72/50/90/379725090.db2.gz JSHOWSTXGJAHDP-DLBZAZTESA-N -1 3 299.370 3.024 20 0 CGADHM CSCCON=C([O-])Nc1ccc(COC(C)C)cc1 ZINC000280467347 379712090 /nfs/dbraw/zinc/71/20/90/379712090.db2.gz HWBLFBLTOZWQFQ-UHFFFAOYSA-N -1 3 298.408 3.028 20 0 CGADHM CSCCO[N-]C(=O)Nc1ccc(COC(C)C)cc1 ZINC000280467347 379712094 /nfs/dbraw/zinc/71/20/94/379712094.db2.gz HWBLFBLTOZWQFQ-UHFFFAOYSA-N -1 3 298.408 3.028 20 0 CGADHM O=C(c1cc([O-])ccc1Cl)N1CCC[C@@H]1C1CC1 ZINC000377894309 379757018 /nfs/dbraw/zinc/75/70/18/379757018.db2.gz ABWRVCUZRWJICL-CYBMUJFWSA-N -1 3 265.740 3.060 20 0 CGADHM Cc1cc(C)nc(NCc2c(F)ccc([O-])c2F)c1 ZINC000352693083 379911111 /nfs/dbraw/zinc/91/11/11/379911111.db2.gz MGLMNPVPFXCJPA-UHFFFAOYSA-N -1 3 264.275 3.294 20 0 CGADHM CCCCN(CCCC)C(=O)c1cc(F)cc2[n-]nnc21 ZINC000282191431 379871074 /nfs/dbraw/zinc/87/10/74/379871074.db2.gz WNMVHXAEGYZGAO-UHFFFAOYSA-N -1 3 292.358 3.139 20 0 CGADHM CCCCN(CCCC)C(=O)c1cc(F)cc2nn[n-]c21 ZINC000282191431 379871085 /nfs/dbraw/zinc/87/10/85/379871085.db2.gz WNMVHXAEGYZGAO-UHFFFAOYSA-N -1 3 292.358 3.139 20 0 CGADHM CCCCN(CCCC)C(=O)c1cc(F)cc2n[n-]nc21 ZINC000282191431 379871091 /nfs/dbraw/zinc/87/10/91/379871091.db2.gz WNMVHXAEGYZGAO-UHFFFAOYSA-N -1 3 292.358 3.139 20 0 CGADHM [O-]c1ccc(F)c(CNCCCC(F)(F)F)c1F ZINC000352642992 379888432 /nfs/dbraw/zinc/88/84/32/379888432.db2.gz RVVPDOSUTIJORP-UHFFFAOYSA-N -1 3 269.213 3.103 20 0 CGADHM Cc1ccc(NC(=O)CCCc2nccs2)c([O-])c1 ZINC000282934381 380013917 /nfs/dbraw/zinc/01/39/17/380013917.db2.gz JUEOIYATLQALPF-UHFFFAOYSA-N -1 3 276.361 3.119 20 0 CGADHM Cc1cccc(F)c1[N-]S(=O)(=O)Cc1cccc(F)c1 ZINC000352873797 380014697 /nfs/dbraw/zinc/01/46/97/380014697.db2.gz YFOFRGOYWCFKHZ-UHFFFAOYSA-N -1 3 297.326 3.215 20 0 CGADHM CC(=O)c1ccc(C(=O)N2CC[C@H](C)C[C@@H](C)C2)cc1[O-] ZINC000408463828 380014783 /nfs/dbraw/zinc/01/47/83/380014783.db2.gz DUMZEBFWLMCGNL-NWDGAFQWSA-N -1 3 289.375 3.103 20 0 CGADHM COC1CCC(CCNCc2c(F)ccc([O-])c2F)CC1 ZINC000352892358 380022317 /nfs/dbraw/zinc/02/23/17/380022317.db2.gz JUXMVQQEELLPHQ-UHFFFAOYSA-N -1 3 299.361 3.355 20 0 CGADHM Cc1csc(CCCC(=O)Nc2cc(F)ccc2[O-])n1 ZINC000283514501 380069436 /nfs/dbraw/zinc/06/94/36/380069436.db2.gz SDUFOZQQOXSHGN-UHFFFAOYSA-N -1 3 294.351 3.258 20 0 CGADHM O=C(c1ccc(O)cc1[O-])N(C1CC1)C1CCCCC1 ZINC000642061658 380135183 /nfs/dbraw/zinc/13/51/83/380135183.db2.gz IPKHQSFBPGJSOU-UHFFFAOYSA-N -1 3 275.348 3.035 20 0 CGADHM COc1c2ccccc2oc1CNCc1nc(C)ccc1[O-] ZINC000353232667 380180154 /nfs/dbraw/zinc/18/01/54/380180154.db2.gz LJQDJDYZPSCYRH-UHFFFAOYSA-N -1 3 298.342 3.140 20 0 CGADHM COCCN(Cc1c(F)ccc([O-])c1F)[C@@H]1CC[C@@H](C)C1 ZINC000353171305 380153448 /nfs/dbraw/zinc/15/34/48/380153448.db2.gz IAHSOZCVLANQPR-VXGBXAGGSA-N -1 3 299.361 3.307 20 0 CGADHM CC[C@H](NC(=O)Cc1ccc([O-])cc1Cl)C(F)(F)F ZINC000348072111 218446437 /nfs/dbraw/zinc/44/64/37/218446437.db2.gz LTKYDCPNGFHDID-JTQLQIEISA-N -1 3 295.688 3.045 20 0 CGADHM O=C([O-])CCCCNCc1ccc(F)c(Cl)c1Cl ZINC000414685848 380372363 /nfs/dbraw/zinc/37/23/63/380372363.db2.gz UNLQVSWMMQDQRO-UHFFFAOYSA-N -1 3 294.153 3.477 20 0 CGADHM CC(=O)[C@@H]1C[C@@H](CC(=O)Nc2c(C)cccc2[O-])C1(C)C ZINC000354162731 380349977 /nfs/dbraw/zinc/34/99/77/380349977.db2.gz WSJCFDVTYIIGHC-STQMWFEESA-N -1 3 289.375 3.281 20 0 CGADHM CCc1cc(C(=O)N[C@H]2C[C@@]2(C)c2ccccc2)ccc1[O-] ZINC000643999078 380407068 /nfs/dbraw/zinc/40/70/68/380407068.db2.gz ODAKSOJNHFKKJK-HKUYNNGSSA-N -1 3 295.382 3.415 20 0 CGADHM Cc1ccc2[n-]cc(C(=O)N(C)[C@@H](C)C3(C)CC3)c(=O)c2c1 ZINC000354632613 380508599 /nfs/dbraw/zinc/50/85/99/380508599.db2.gz NZYMBWWXUUBBFP-LBPRGKRZSA-N -1 3 298.386 3.097 20 0 CGADHM CC[C@H](C)C[C@H](C)NC(=O)c1c[n-]nc1-c1ccccn1 ZINC000354503779 380461693 /nfs/dbraw/zinc/46/16/93/380461693.db2.gz GWONEKHWFRSYFT-RYUDHWBXSA-N -1 3 286.379 3.026 20 0 CGADHM CCOc1ccccc1NCc1cc(=O)[n-]c(C2CC2)n1 ZINC000416991592 380558601 /nfs/dbraw/zinc/55/86/01/380558601.db2.gz OGSZYZNKOSHCJX-UHFFFAOYSA-N -1 3 285.347 3.070 20 0 CGADHM CCC[C@H](C)C[C@@H](NCc1ccc(Cl)o1)C(=O)[O-] ZINC000417571716 380641519 /nfs/dbraw/zinc/64/15/19/380641519.db2.gz XWUFIODGNXWQCG-GXSJLCMTSA-N -1 3 273.760 3.302 20 0 CGADHM CCOc1c(Cl)cccc1CNCCC[C@H](C)C(=O)[O-] ZINC000417573519 380641842 /nfs/dbraw/zinc/64/18/42/380641842.db2.gz VVNXPJCKENGFBG-NSHDSACASA-N -1 3 299.798 3.329 20 0 CGADHM C[C@@H]1CCC[C@@](NCc2csc(C3CC3)n2)(C(=O)[O-])C1 ZINC000417572360 380642140 /nfs/dbraw/zinc/64/21/40/380642140.db2.gz VLKIIPJBDFXHJV-BMIGLBTASA-N -1 3 294.420 3.144 20 0 CGADHM Cc1occc1CNCc1cccc([O-])c1Cl ZINC000645150497 380595775 /nfs/dbraw/zinc/59/57/75/380595775.db2.gz QDDBNKOJJBGWCA-UHFFFAOYSA-N -1 3 251.713 3.237 20 0 CGADHM O=C([O-])CC1(CCNCc2ccco2)CCCCC1 ZINC000417651757 380662190 /nfs/dbraw/zinc/66/21/90/380662190.db2.gz PTJMODRUXUCTON-UHFFFAOYSA-N -1 3 265.353 3.185 20 0 CGADHM C[C@@H](NCc1c(Cl)cccc1Cl)[C@@H](C)C(=O)[O-] ZINC000417615341 380651955 /nfs/dbraw/zinc/65/19/55/380651955.db2.gz TVJCFPFJANSKNX-HTQZYQBOSA-N -1 3 276.163 3.192 20 0 CGADHM C[C@@H](CCC(=O)[O-])NCc1csc(Cl)c1Cl ZINC000417621007 380654984 /nfs/dbraw/zinc/65/49/84/380654984.db2.gz DSQOYOJRPHHWSA-LURJTMIESA-N -1 3 282.192 3.398 20 0 CGADHM CC(C)[C@@H]1N(C(=O)c2ccc(O)cc2[O-])CC12CCCC2 ZINC000334772756 207052526 /nfs/dbraw/zinc/05/25/26/207052526.db2.gz URUNCAUGDJZPCP-HNNXBMFYSA-N -1 3 289.375 3.139 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2coc3cc(F)ccc32)n1 ZINC000357159448 381046309 /nfs/dbraw/zinc/04/63/09/381046309.db2.gz KRGAHQHRMXZZOX-UHFFFAOYSA-N -1 3 286.262 3.233 20 0 CGADHM CCC[C@](C)(CC)C(=O)Nc1nc(C)ccc1[O-] ZINC000357160211 381046457 /nfs/dbraw/zinc/04/64/57/381046457.db2.gz OCKCUXFKPIKCBW-AWEZNQCLSA-N -1 3 250.342 3.251 20 0 CGADHM CCCCO[C@H]1C[C@@H](NC(=O)c2cccc([O-])c2)C1(C)C ZINC000357312008 381101301 /nfs/dbraw/zinc/10/13/01/381101301.db2.gz WBRZWQJZVXJVPP-CABCVRRESA-N -1 3 291.391 3.106 20 0 CGADHM Cc1sc(CNC(=O)c2cccc([O-])c2)nc1C(C)C ZINC000357358224 381125347 /nfs/dbraw/zinc/12/53/47/381125347.db2.gz PKRZFNNXBWDYEZ-UHFFFAOYSA-N -1 3 290.388 3.211 20 0 CGADHM Cc1cccc(OCCN(C)C(=O)c2ccc(C)cc2[O-])c1 ZINC000198563550 542282486 /nfs/dbraw/zinc/28/24/86/542282486.db2.gz ZSDNTLQENFXQKA-UHFFFAOYSA-N -1 3 299.370 3.160 20 0 CGADHM Cc1cccc2c(=O)c(C(=O)N(C)[C@@H](C)C3CCC3)c[n-]c12 ZINC000361596079 381827732 /nfs/dbraw/zinc/82/77/32/381827732.db2.gz ZMRBJPOWBBXIRU-LBPRGKRZSA-N -1 3 298.386 3.097 20 0 CGADHM Cc1cccc2c(=O)c(C(=O)N3CCCC[C@H](C)C3)c[n-]c12 ZINC000361755430 381868431 /nfs/dbraw/zinc/86/84/31/381868431.db2.gz QPFLSWOPWMMYSC-LBPRGKRZSA-N -1 3 298.386 3.099 20 0 CGADHM CCCN(CC(F)(F)F)C(=O)c1ccc([O-])c(C)c1 ZINC000227023540 542291524 /nfs/dbraw/zinc/29/15/24/542291524.db2.gz AELNPEWPEZRBPI-UHFFFAOYSA-N -1 3 275.270 3.115 20 0 CGADHM CCc1cc(C(=O)N(C(C)C)C2CCC2)ccc1[O-] ZINC000362821424 382125514 /nfs/dbraw/zinc/12/55/14/382125514.db2.gz YFMSCHSVJIDANH-UHFFFAOYSA-N -1 3 261.365 3.358 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)C[C@H](O)CC(C)(C)C)c1[O-] ZINC000362960773 382166451 /nfs/dbraw/zinc/16/64/51/382166451.db2.gz RVBAWPKVCLXYLF-NSHDSACASA-N -1 3 299.798 3.480 20 0 CGADHM Cc1ccc2c(c1)[C@@H](NCc1cc([O-])cc(F)c1)CO2 ZINC000364192604 382264825 /nfs/dbraw/zinc/26/48/25/382264825.db2.gz ZYYAZXVKSOUWKL-HNNXBMFYSA-N -1 3 273.307 3.063 20 0 CGADHM CCc1nnc([N-]C(=O)c2c(F)cccc2SC)s1 ZINC000280954540 195043568 /nfs/dbraw/zinc/04/35/68/195043568.db2.gz HTKLPUQVQVWNMT-UHFFFAOYSA-N -1 3 297.380 3.214 20 0 CGADHM CC(C)c1cc(C(=O)[N-]c2cc(C(F)(F)F)ccn2)on1 ZINC000272581676 542367564 /nfs/dbraw/zinc/36/75/64/542367564.db2.gz YCWSYSLNPKICHX-UHFFFAOYSA-N -1 3 299.252 3.464 20 0 CGADHM c1coc(-c2cc(-c3nc([C@@H]4CCCS4)no3)[n-]n2)c1 ZINC000274195039 542373033 /nfs/dbraw/zinc/37/30/33/542373033.db2.gz QWBTXJQKTYNYNX-NSHDSACASA-N -1 3 288.332 3.288 20 0 CGADHM c1coc(-c2cc(-c3nc([C@@H]4CCCS4)no3)n[n-]2)c1 ZINC000274195039 542373037 /nfs/dbraw/zinc/37/30/37/542373037.db2.gz QWBTXJQKTYNYNX-NSHDSACASA-N -1 3 288.332 3.288 20 0 CGADHM CC(C)(C)c1nnc(C(=O)[N-]c2ccccc2F)s1 ZINC000281184812 195140422 /nfs/dbraw/zinc/14/04/22/195140422.db2.gz OAWOUGABZKHHNY-UHFFFAOYSA-N -1 3 279.340 3.227 20 0 CGADHM O=C(c1cc([O-])c2ccccc2c1)N1CCC[C@@H]1CF ZINC000294084807 542404466 /nfs/dbraw/zinc/40/44/66/542404466.db2.gz NMRAFXJJCZEQTC-CYBMUJFWSA-N -1 3 273.307 3.120 20 0 CGADHM CC(C)(C)C[C@@H]1CCN(C(=O)c2cccc([O-])c2)C1 ZINC000307769467 542422795 /nfs/dbraw/zinc/42/27/95/542422795.db2.gz DGXMHNRIRJMEHX-LBPRGKRZSA-N -1 3 261.365 3.291 20 0 CGADHM Cc1cc(C)cc(NC(=O)/C=C/c2cncc([O-])c2)c1 ZINC000179384577 260045440 /nfs/dbraw/zinc/04/54/40/260045440.db2.gz XFLBCDBJGTYHOJ-ONEGZZNKSA-N -1 3 268.316 3.056 20 0 CGADHM CC1(CNC(=O)c2cc([O-])c3ccccc3c2)CC1 ZINC000354911591 542564543 /nfs/dbraw/zinc/56/45/43/542564543.db2.gz DCLGYGKQKOYXOC-UHFFFAOYSA-N -1 3 255.317 3.075 20 0 CGADHM CO[C@H]1CCC[C@@H]1CNC(=O)c1cc([O-])c2ccccc2c1 ZINC000355448312 542566872 /nfs/dbraw/zinc/56/68/72/542566872.db2.gz BYAZREMPCHTTFJ-DYVFJYSZSA-N -1 3 299.370 3.090 20 0 CGADHM CCc1cc(=O)[n-]c(CN2CCCC[C@@H]2c2ccccc2)n1 ZINC000358016100 542576337 /nfs/dbraw/zinc/57/63/37/542576337.db2.gz HHWDVQSCVIYYFA-MRXNPFEDSA-N -1 3 297.402 3.472 20 0 CGADHM COc1cc(C(=O)N(C)[C@@H](C)C2CCCCC2)ccc1[O-] ZINC000282593074 195654874 /nfs/dbraw/zinc/65/48/74/195654874.db2.gz XGXFTDQZGCQGDC-LBPRGKRZSA-N -1 3 291.391 3.442 20 0 CGADHM COc1ccc(C(=O)N(C)[C@H]2CCc3ccccc32)c([O-])c1 ZINC000192626694 533287205 /nfs/dbraw/zinc/28/72/05/533287205.db2.gz FXTQTFPHQRDWTI-INIZCTEOSA-N -1 3 297.354 3.160 20 0 CGADHM COc1ccc(C)cc1CN[C@H](C(=O)[O-])c1ccc(C)cc1 ZINC000426709684 533387629 /nfs/dbraw/zinc/38/76/29/533387629.db2.gz DXCYJNUKRHQCMU-KRWDZBQOSA-N -1 3 299.370 3.228 20 0 CGADHM COc1cccc(C(=O)NCc2coc3ccccc23)c1[O-] ZINC000436937225 533412940 /nfs/dbraw/zinc/41/29/40/533412940.db2.gz DWCKGSCZYUDXOZ-UHFFFAOYSA-N -1 3 297.310 3.077 20 0 CGADHM COc1cccc(C[C@H](C)NC(=O)c2ccc(C)cc2[O-])c1 ZINC000436549414 533546960 /nfs/dbraw/zinc/54/69/60/533546960.db2.gz PZALFEUNZOCITO-ZDUSSCGKSA-N -1 3 299.370 3.070 20 0 CGADHM Cc1sccc1CN[C@@H](CC(=O)[O-])c1cccs1 ZINC000381222481 542597488 /nfs/dbraw/zinc/59/74/88/542597488.db2.gz GKOVUQSXXYIRAT-NSHDSACASA-N -1 3 281.402 3.424 20 0 CGADHM O=C([O-])[C@@H]1CN(C[C@@H]2CC[C@@H]3C[C@@H]3C2)Cc2ccccc21 ZINC000403402566 542624155 /nfs/dbraw/zinc/62/41/55/542624155.db2.gz SITPRQDSMXSDEP-LNCBFAARSA-N -1 3 285.387 3.107 20 0 CGADHM C[C@H](NCc1ccc(F)cc1F)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000400289646 542621498 /nfs/dbraw/zinc/62/14/98/542621498.db2.gz NGYAXSWSQKUUCZ-TVYUQYBPSA-N -1 3 297.345 3.190 20 0 CGADHM C[C@@H](NCc1cc(F)ccc1F)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000400296022 542621644 /nfs/dbraw/zinc/62/16/44/542621644.db2.gz SBMMYMKVRGKNGX-JIMOISOXSA-N -1 3 297.345 3.190 20 0 CGADHM CC(C)c1ccccc1NC(=O)c1ccc2n[n-]nc2c1 ZINC000029864697 391958122 /nfs/dbraw/zinc/95/81/22/391958122.db2.gz ZTDRDNWYTOXJRG-UHFFFAOYSA-N -1 3 280.331 3.334 20 0 CGADHM Cc1cccc(C(=O)N[C@@H](C)C2CCCCC2)c1[O-] ZINC000052343691 392077705 /nfs/dbraw/zinc/07/77/05/392077705.db2.gz PTDCYIIEXJDUOP-LBPRGKRZSA-N -1 3 261.365 3.399 20 0 CGADHM O=C(N[C@H]1CCc2c1cccc2Cl)c1ccccc1[O-] ZINC000049351483 392044038 /nfs/dbraw/zinc/04/40/38/392044038.db2.gz YUIONQKHXRVJCN-AWEZNQCLSA-N -1 3 287.746 3.463 20 0 CGADHM COc1ccc([O-])c(C(=O)N[C@@H](C)c2ccc(C)cc2)c1 ZINC000055463774 392099011 /nfs/dbraw/zinc/09/90/11/392099011.db2.gz JFPNSJLBEHUNPR-LBPRGKRZSA-N -1 3 285.343 3.200 20 0 CGADHM Cc1ccc(NC(=O)c2cc(F)ccc2C)c([O-])c1 ZINC000059798412 392120994 /nfs/dbraw/zinc/12/09/94/392120994.db2.gz OIIZKSOXWKDCOE-UHFFFAOYSA-N -1 3 259.280 3.400 20 0 CGADHM CCOc1ccccc1CCNC(=O)c1ccc([O-])c(C)c1 ZINC000436928220 542658844 /nfs/dbraw/zinc/65/88/44/542658844.db2.gz QXFCWOXKDZBDPV-UHFFFAOYSA-N -1 3 299.370 3.072 20 0 CGADHM CCc1oc(C(=O)Nc2ccc(OC)cc2[O-])cc1C ZINC000443555964 542666420 /nfs/dbraw/zinc/66/64/20/542666420.db2.gz FOZGNMMCSXALCD-UHFFFAOYSA-N -1 3 275.304 3.117 20 0 CGADHM CCC(C)(C)CC(=O)Nc1ccc(OC)cc1[O-] ZINC000443562512 542666875 /nfs/dbraw/zinc/66/68/75/542666875.db2.gz VXCPSDPWJGUJSY-UHFFFAOYSA-N -1 3 251.326 3.166 20 0 CGADHM O=C([O-])CCCCN1CCS[C@@H](c2ccccc2)C1 ZINC000371679338 392544557 /nfs/dbraw/zinc/54/45/57/392544557.db2.gz DKJZANKZHKZKRW-CQSZACIVSA-N -1 3 279.405 3.031 20 0 CGADHM CCc1cc(C(=O)N2CCCC[C@@H]2c2cc[nH]n2)ccc1[O-] ZINC000291808243 392486687 /nfs/dbraw/zinc/48/66/87/392486687.db2.gz FFCZKGLXKIUOAO-OAHLLOKOSA-N -1 3 299.374 3.045 20 0 CGADHM Cc1ccc(CC(=O)Nc2cccc([O-])c2F)cc1C ZINC000534210811 288404618 /nfs/dbraw/zinc/40/46/18/288404618.db2.gz DOWSCRHWFXMNHB-UHFFFAOYSA-N -1 3 273.307 3.329 20 0 CGADHM O[C@@H]1CCCC[C@@H]1[N-]c1nc(-c2cccc(Cl)c2)no1 ZINC000301398590 392588589 /nfs/dbraw/zinc/58/85/89/392588589.db2.gz HMZBDJKTRAPWSC-NWDGAFQWSA-N -1 3 293.754 3.105 20 0 CGADHM CC[C@H](CC(F)F)C(=O)Nc1c(C)cccc1[O-] ZINC000457708921 392743384 /nfs/dbraw/zinc/74/33/84/392743384.db2.gz MLHMVHMURZTTOC-SECBINFHSA-N -1 3 257.280 3.321 20 0 CGADHM CC(C)[C@@H]1CCC[C@@H](NC(=O)c2cccc([O-])c2)C1 ZINC000509301424 392743435 /nfs/dbraw/zinc/74/34/35/392743435.db2.gz QBNUYVHOSXZMPM-TZMCWYRMSA-N -1 3 261.365 3.337 20 0 CGADHM Cc1cccc(CCNCc2c(F)ccc([O-])c2F)c1 ZINC000510524261 392801397 /nfs/dbraw/zinc/80/13/97/392801397.db2.gz XGKJAVYGZCUCMO-UHFFFAOYSA-N -1 3 277.314 3.311 20 0 CGADHM C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2C(F)F)c2c([O-])cccc21 ZINC000338223197 392902294 /nfs/dbraw/zinc/90/22/94/392902294.db2.gz YFKBDTKKUQIWEI-DVVUODLYSA-N -1 3 281.302 3.134 20 0 CGADHM O=C([N-]c1cc(F)c(F)cc1F)c1ncc(F)cc1F ZINC000192279267 392846046 /nfs/dbraw/zinc/84/60/46/392846046.db2.gz JIFXFDXJKVNSQG-UHFFFAOYSA-N -1 3 288.175 3.029 20 0 CGADHM CCc1ccc([C@H](C)NC(=O)c2cccc([O-])c2)cc1 ZINC000192642880 392857135 /nfs/dbraw/zinc/85/71/35/392857135.db2.gz NXUONUKRNLATNC-LBPRGKRZSA-N -1 3 269.344 3.446 20 0 CGADHM Cc1c(Cl)cccc1C(=O)NCc1ccc([O-])c(F)c1 ZINC000194776001 392936871 /nfs/dbraw/zinc/93/68/71/392936871.db2.gz TVBNZBQMIITJMB-UHFFFAOYSA-N -1 3 293.725 3.423 20 0 CGADHM Cc1cccc2[nH]cc(Cc3nc4cccnc4c(=O)[n-]3)c21 ZINC000491599878 542718093 /nfs/dbraw/zinc/71/80/93/542718093.db2.gz WHMLTTZWGBNFSU-UHFFFAOYSA-N -1 3 290.326 3.111 20 0 CGADHM CCCC[C@H](C)C(=O)Nc1ccc(OC)cc1[O-] ZINC000506030844 542728093 /nfs/dbraw/zinc/72/80/93/542728093.db2.gz IUEBJBKOACRTCW-JTQLQIEISA-N -1 3 251.326 3.166 20 0 CGADHM COc1cccc(C)c1NC(=O)c1ccc(C)cc1[O-] ZINC000195029252 392953083 /nfs/dbraw/zinc/95/30/83/392953083.db2.gz WUNFMCWJKOJPMJ-UHFFFAOYSA-N -1 3 271.316 3.270 20 0 CGADHM CCCN(Cc1ccccc1)[C@@H](C)c1nc(C)cc(=O)[n-]1 ZINC000411131623 392979935 /nfs/dbraw/zinc/97/99/35/392979935.db2.gz XGXWLVDZQVBVDB-AWEZNQCLSA-N -1 3 285.391 3.464 20 0 CGADHM CC(C)[C@@H]([N-]C(=O)C(F)F)c1ccc(Cl)cc1 ZINC000219779391 393002368 /nfs/dbraw/zinc/00/23/68/393002368.db2.gz PXYXWNMJFHHRQA-SNVBAGLBSA-N -1 3 261.699 3.418 20 0 CGADHM Cc1cc(C(=O)N2CCC[C@@H]3CCC[C@H]32)ccc1[O-] ZINC000226717970 393015552 /nfs/dbraw/zinc/01/55/52/393015552.db2.gz MGAQWASAOGSLFU-GXTWGEPZSA-N -1 3 259.349 3.105 20 0 CGADHM C[C@@H]1C[C@H]1c1noc(-c2cc3c(cc2[O-])CCCC3)n1 ZINC000547180671 393096181 /nfs/dbraw/zinc/09/61/81/393096181.db2.gz CGUCJNHLFNFQAA-BXKDBHETSA-N -1 3 270.332 3.444 20 0 CGADHM Cc1ccc2oc(C(=O)Nc3nc(C)ccc3[O-])cc2c1 ZINC000345924414 393072179 /nfs/dbraw/zinc/07/21/79/393072179.db2.gz JIQXJOCOTIMJEL-UHFFFAOYSA-N -1 3 282.299 3.403 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CCC[C@H](c3ccccn3)C2)c1 ZINC000646438407 393288299 /nfs/dbraw/zinc/28/82/99/393288299.db2.gz MTCSAHMEXRCPDR-AWEZNQCLSA-N -1 3 296.370 3.115 20 0 CGADHM CCc1oc2ccccc2c1CNCc1ncccc1[O-] ZINC000355282815 393289934 /nfs/dbraw/zinc/28/99/34/393289934.db2.gz AOOHENYGEDBPJH-UHFFFAOYSA-N -1 3 282.343 3.386 20 0 CGADHM CC1=CCC[C@H](C)[C@H]1CNCc1cc(C(=O)[O-])co1 ZINC000276931693 393302746 /nfs/dbraw/zinc/30/27/46/393302746.db2.gz BQYWTTPNLXEBFQ-FZMZJTMJSA-N -1 3 263.337 3.060 20 0 CGADHM CCc1cc(N(C)CCCC(=O)[O-])c2ccccc2n1 ZINC000416422819 393311334 /nfs/dbraw/zinc/31/13/34/393311334.db2.gz OYLSABNPZJCRDE-UHFFFAOYSA-N -1 3 272.348 3.098 20 0 CGADHM C[C@]1(C(=O)NCc2ccc([O-])c(F)c2)CCc2ccccc21 ZINC000648833089 393267749 /nfs/dbraw/zinc/26/77/49/393267749.db2.gz XHUONXJFGZRNIN-SFHVURJKSA-N -1 3 299.345 3.052 20 0 CGADHM CC[C@H](NC(=O)NCc1ccc([O-])c(F)c1)[C@@H]1CC1(C)C ZINC000416729305 393338704 /nfs/dbraw/zinc/33/87/04/393338704.db2.gz KWQDPLGJFXSXKR-AAEUAGOBSA-N -1 3 294.370 3.155 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)c1ccc(C2CC2)nc1C ZINC000649229250 393377836 /nfs/dbraw/zinc/37/78/36/393377836.db2.gz SYCJRLHASWFJJT-UHFFFAOYSA-N -1 3 298.390 3.097 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)c1ccc(Cl)c(F)c1 ZINC000649230705 393379045 /nfs/dbraw/zinc/37/90/45/393379045.db2.gz UBUPPTNLHBRIRU-UHFFFAOYSA-N -1 3 295.745 3.308 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@H](C)CC1CCCC1 ZINC000649231711 393379386 /nfs/dbraw/zinc/37/93/86/393379386.db2.gz DDBRYLJPYBIAFY-LLVKDONJSA-N -1 3 277.412 3.418 20 0 CGADHM CCc1ccccc1S(=O)(=O)[N-]c1cccc(F)c1F ZINC000488232581 393471134 /nfs/dbraw/zinc/47/11/34/393471134.db2.gz MNBTWAHTEYQQBY-UHFFFAOYSA-N -1 3 297.326 3.328 20 0 CGADHM CCC(C)(C)[C@@H]1CCCN1C(=O)c1cccc([O-])c1 ZINC000357357209 393509411 /nfs/dbraw/zinc/50/94/11/393509411.db2.gz NJQHSJPBPBYOPL-AWEZNQCLSA-N -1 3 261.365 3.433 20 0 CGADHM COc1cc(C(=O)N2C[C@H](C)CCC[C@@H]2C)ccc1[O-] ZINC000357607402 393512649 /nfs/dbraw/zinc/51/26/49/393512649.db2.gz VWDGLTUVJCFMRW-NEPJUHHUSA-N -1 3 277.364 3.052 20 0 CGADHM CC[C@H](C(=O)Nc1nnc(SC)[n-]1)C1CCC(C)CC1 ZINC000359584497 393553120 /nfs/dbraw/zinc/55/31/20/393553120.db2.gz DOJKPKPBJPXTNN-ILDUYXDCSA-N -1 3 296.440 3.318 20 0 CGADHM CC[C@H](C(=O)Nc1nc(SC)n[n-]1)C1CCC(C)CC1 ZINC000359584497 393553125 /nfs/dbraw/zinc/55/31/25/393553125.db2.gz DOJKPKPBJPXTNN-ILDUYXDCSA-N -1 3 296.440 3.318 20 0 CGADHM CC[C@H](C(=O)Nc1n[n-]c(SC)n1)C1CCC(C)CC1 ZINC000359584497 393553127 /nfs/dbraw/zinc/55/31/27/393553127.db2.gz DOJKPKPBJPXTNN-ILDUYXDCSA-N -1 3 296.440 3.318 20 0 CGADHM CCc1ccc([O-])c(C(=O)N(C)[C@@H]2CC[C@H](C)C2)c1 ZINC000430451027 393569195 /nfs/dbraw/zinc/56/91/95/393569195.db2.gz VFJJCQNJBMUKRZ-WCQYABFASA-N -1 3 261.365 3.215 20 0 CGADHM O=C(/C=C/c1ccc(F)c(Cl)c1)[N-]O[C@@H]1CCCCO1 ZINC000491353460 393682915 /nfs/dbraw/zinc/68/29/15/393682915.db2.gz WOAHIKNHJPNQGB-HZRUHFOJSA-N -1 3 299.729 3.067 20 0 CGADHM CC1(C)CCC[C@@H](NC(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000443171394 393747550 /nfs/dbraw/zinc/74/75/50/393747550.db2.gz NDHHIGDDPDDEAY-GFCCVEGCSA-N -1 3 294.370 3.299 20 0 CGADHM CCCC[C@H](CCC)NC(=O)c1ccc([O-])c(OC)c1 ZINC000443292404 393750459 /nfs/dbraw/zinc/75/04/59/393750459.db2.gz HACORISVBGCUGX-ZDUSSCGKSA-N -1 3 279.380 3.490 20 0 CGADHM CC[C@@H](C)Oc1ccccc1/C=C/C(=O)[N-]OCC(F)F ZINC000492581319 393757923 /nfs/dbraw/zinc/75/79/23/393757923.db2.gz LXOVPFAADSUEFU-ANYFNZRUSA-N -1 3 299.317 3.190 20 0 CGADHM COc1ccc(CC(C)(C)NC(=O)c2ccccc2[O-])cc1 ZINC000438520942 393722700 /nfs/dbraw/zinc/72/27/00/393722700.db2.gz ZRGKIAVVVBOIGX-UHFFFAOYSA-N -1 3 299.370 3.152 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2cccc(F)c2)c1 ZINC000500723126 393836052 /nfs/dbraw/zinc/83/60/52/393836052.db2.gz UBTQAYXHYILKBF-UHFFFAOYSA-N -1 3 259.280 3.346 20 0 CGADHM CCc1ccc([O-])c(C(=O)NCc2ccc(C)c(OC)c2)c1 ZINC000499722920 393805155 /nfs/dbraw/zinc/80/51/55/393805155.db2.gz NLDNVUWZPBBZCR-UHFFFAOYSA-N -1 3 299.370 3.202 20 0 CGADHM Cc1ccc(F)c(S(=O)(=O)[N-][C@@H]2CC[C@H](C)C[C@@H]2C)c1 ZINC000500100343 393817763 /nfs/dbraw/zinc/81/77/63/393817763.db2.gz SKAIZQFUBGEGDF-VHRBIJSZSA-N -1 3 299.411 3.237 20 0 CGADHM [O-]c1ccc(F)c(CN2C[C@H](C3CC3)[C@@H]2C2CC2)c1F ZINC000449532149 393885188 /nfs/dbraw/zinc/88/51/88/393885188.db2.gz CTCHMIIKYDIGEE-BZNIZROVSA-N -1 3 279.330 3.291 20 0 CGADHM [O-]c1cccc(CN2CC[C@@H]3C[C@H](O)CC[C@H]3C2)c1Cl ZINC000449552831 393898227 /nfs/dbraw/zinc/89/82/27/393898227.db2.gz KEMSLKRBNWIGHZ-MBNYWOFBSA-N -1 3 295.810 3.029 20 0 CGADHM CC1(C)CCCN(C(=O)Cc2ccc([O-])c(F)c2)CC1 ZINC000449946536 393948779 /nfs/dbraw/zinc/94/87/79/393948779.db2.gz XZOQMRSREQUMSC-UHFFFAOYSA-N -1 3 279.355 3.113 20 0 CGADHM CC(C)C[C@]1(C)CCCN1C(=O)c1ccccc1[O-] ZINC000452516327 394076105 /nfs/dbraw/zinc/07/61/05/394076105.db2.gz WQDWNBHBVLNDSC-INIZCTEOSA-N -1 3 261.365 3.433 20 0 CGADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@@H]1CC1(C)C ZINC000452747823 394111546 /nfs/dbraw/zinc/11/15/46/394111546.db2.gz IXGAWDWKKGZEGR-QMMMGPOBSA-N -1 3 298.180 3.448 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CCCCC[C@H]2C)c1 ZINC000548605493 289013031 /nfs/dbraw/zinc/01/30/31/289013031.db2.gz LTGQHBOJTUEDIA-GFCCVEGCSA-N -1 3 261.365 3.359 20 0 CGADHM C[C@H](NC(=O)Cc1ccc([O-])c(F)c1)[C@@H]1CCC[C@H](C)C1 ZINC000456980528 394304881 /nfs/dbraw/zinc/30/48/81/394304881.db2.gz LGDZABFLIFPAHY-SGMGOOAPSA-N -1 3 293.382 3.405 20 0 CGADHM C[C@H](NC(=O)Cc1ccc([O-])c(F)c1)[C@H]1CCC[C@H](C)C1 ZINC000456980527 394305028 /nfs/dbraw/zinc/30/50/28/394305028.db2.gz LGDZABFLIFPAHY-OBJOEFQTSA-N -1 3 293.382 3.405 20 0 CGADHM Cc1cc(C(=O)N2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@@]3(C)C2)ccc1[O-] ZINC000456993591 394306996 /nfs/dbraw/zinc/30/69/96/394306996.db2.gz SSQSQAVWSIZQDJ-MJXUCMMTSA-N -1 3 285.387 3.209 20 0 CGADHM COc1cc(C(=O)N[C@@H](C)[C@H]2CCC[C@H](C)C2)ccc1[O-] ZINC000457001692 394308775 /nfs/dbraw/zinc/30/87/75/394308775.db2.gz MKESXZBTIGSTTB-AVGNSLFASA-N -1 3 291.391 3.345 20 0 CGADHM C[C@@H](F)CC[N-]S(=O)(=O)c1ccc(C(C)(C)C)s1 ZINC000549915363 289059656 /nfs/dbraw/zinc/05/96/56/289059656.db2.gz NXNWCZOOEJIUKD-SECBINFHSA-N -1 3 293.429 3.072 20 0 CGADHM Cc1ccc(CN[C@@H](CC(=O)[O-])c2ccsc2)cc1 ZINC000277039765 292105981 /nfs/dbraw/zinc/10/59/81/292105981.db2.gz QQGIENHOFDQPGF-AWEZNQCLSA-N -1 3 275.373 3.362 20 0 CGADHM CSc1ccncc1[N-]C(=O)c1ccc(F)c(F)c1F ZINC000674289300 543279565 /nfs/dbraw/zinc/27/95/65/543279565.db2.gz FJAWWOLTBYHFRF-UHFFFAOYSA-N -1 3 298.289 3.473 20 0 CGADHM CSc1cccnc1C(=O)[N-]c1c(C)noc1C1CC1 ZINC000649918872 397754725 /nfs/dbraw/zinc/75/47/25/397754725.db2.gz PEJKJNCKWBNMBP-UHFFFAOYSA-N -1 3 289.360 3.230 20 0 CGADHM O=C(Nc1cc(Br)ccc1[O-])[C@H]1CC12CCC2 ZINC000675416393 543337878 /nfs/dbraw/zinc/33/78/78/543337878.db2.gz ULEGFVDZQIVGQD-SECBINFHSA-N -1 3 296.164 3.283 20 0 CGADHM Cc1cc(C(=O)Nc2ccc(Cl)cc2[O-])c(C)[nH]1 ZINC000677212730 543440737 /nfs/dbraw/zinc/44/07/37/543440737.db2.gz ZECBGMCWZYQOJF-UHFFFAOYSA-N -1 3 264.712 3.243 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])c1cc2ccsc2[nH]1 ZINC000677591248 543455997 /nfs/dbraw/zinc/45/59/97/543455997.db2.gz POEXWDYIMAFOAE-UHFFFAOYSA-N -1 3 276.292 3.326 20 0 CGADHM CSc1ccncc1NC(=O)c1ccc(C)cc1[O-] ZINC000678315569 543514228 /nfs/dbraw/zinc/51/42/28/543514228.db2.gz HMWFGSOJYOYMQR-UHFFFAOYSA-N -1 3 274.345 3.070 20 0 CGADHM COc1ccc(C(=O)N2C[C@H](C)[C@H]3CCCC[C@H]32)c([O-])c1 ZINC000180563354 286283895 /nfs/dbraw/zinc/28/38/95/286283895.db2.gz ODQFXLWKQQWUPD-NJZAAPMLSA-N -1 3 289.375 3.052 20 0 CGADHM CC1([N-]S(=O)(=O)c2ccc(Cl)s2)CCCC1 ZINC000049239979 286920525 /nfs/dbraw/zinc/92/05/25/286920525.db2.gz WCDDEHXLWYDGKD-UHFFFAOYSA-N -1 3 279.814 3.013 20 0 CGADHM Cc1cccc(N(C)C(=O)c2cccc(C)c2[O-])c1 ZINC000049990916 286930383 /nfs/dbraw/zinc/93/03/83/286930383.db2.gz AMVXUAVSOKHQMT-UHFFFAOYSA-N -1 3 255.317 3.286 20 0 CGADHM CCN(C(=O)c1cccc(OC)c1[O-])c1ccc(F)cc1 ZINC000052077015 286935568 /nfs/dbraw/zinc/93/55/68/286935568.db2.gz PRCAMTGZILCFOE-UHFFFAOYSA-N -1 3 289.306 3.207 20 0 CGADHM COc1ccc([O-])c(C(=O)N(C)[C@H]2CCCC[C@@H]2C)c1 ZINC000055482011 286945608 /nfs/dbraw/zinc/94/56/08/286945608.db2.gz BGYLCVHPHSXEKG-FZMZJTMJSA-N -1 3 277.364 3.052 20 0 CGADHM Cc1cccc(C(=O)Nc2ccccc2N(C)C)c1[O-] ZINC000078438613 287048851 /nfs/dbraw/zinc/04/88/51/287048851.db2.gz SBDJSWABPRBDAD-UHFFFAOYSA-N -1 3 270.332 3.019 20 0 CGADHM Cc1ccc([O-])c(-c2nc([C@H]3Cc4ccccc43)no2)c1 ZINC000086492399 287083076 /nfs/dbraw/zinc/08/30/76/287083076.db2.gz TYQFRSTUEPLPDX-ZDUSSCGKSA-N -1 3 278.311 3.439 20 0 CGADHM O=C(Nc1ccc([O-])cc1F)[C@H]1CCOc2ccccc21 ZINC000070333177 165059630 /nfs/dbraw/zinc/05/96/30/165059630.db2.gz YVJMMHCHWFAQKR-LBPRGKRZSA-N -1 3 287.290 3.036 20 0 CGADHM Cc1ccc(NC(=O)Cc2cccc3cccnc32)c([O-])c1 ZINC000074162246 165085600 /nfs/dbraw/zinc/08/56/00/165085600.db2.gz QXBKWIYRTIVLQO-UHFFFAOYSA-N -1 3 292.338 3.430 20 0 CGADHM CSc1ccc(CNC(=O)c2cccc([O-])c2)cc1 ZINC000082282673 165168951 /nfs/dbraw/zinc/16/89/51/165168951.db2.gz HCDKSSYYTMKRDU-UHFFFAOYSA-N -1 3 273.357 3.044 20 0 CGADHM O=C(c1ccccc1[O-])N1CCc2c([nH]c3ccccc32)C1 ZINC000089926728 165220458 /nfs/dbraw/zinc/22/04/58/165220458.db2.gz LLHBUIGDUSBLQB-UHFFFAOYSA-N -1 3 292.338 3.072 20 0 CGADHM COc1ccc(NCc2nc(C)ccc2[O-])c(C)c1 ZINC000091995351 165278386 /nfs/dbraw/zinc/27/83/86/165278386.db2.gz SIWVISPBGTVBQB-UHFFFAOYSA-N -1 3 258.321 3.025 20 0 CGADHM Cc1ccc([O-])c(C(=O)N(C)[C@@H](C)c2cccc(O)c2)c1 ZINC000092602253 287112925 /nfs/dbraw/zinc/11/29/25/287112925.db2.gz UEQUNAOSUUYSNB-LBPRGKRZSA-N -1 3 285.343 3.239 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CC[C@@H](C)C[C@@H](C)C2)c1 ZINC000119406917 287169080 /nfs/dbraw/zinc/16/90/80/287169080.db2.gz BRHKCCGWVHKMIC-CHWSQXEVSA-N -1 3 261.365 3.209 20 0 CGADHM C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1F)c1ccccc1 ZINC000007308029 170277071 /nfs/dbraw/zinc/27/70/71/170277071.db2.gz RUHDNLPSEYQIGC-SNVBAGLBSA-N -1 3 297.326 3.004 20 0 CGADHM Cc1cc(C)nc(NC(=O)c2c[n-]nc2-c2ccccc2)c1 ZINC000126412544 287264029 /nfs/dbraw/zinc/26/40/29/287264029.db2.gz HPQSVSGXUPAOKD-UHFFFAOYSA-N -1 3 292.342 3.341 20 0 CGADHM Cc1noc(-c2ccccc2C(=O)Nc2ccccc2[O-])n1 ZINC000127507483 287289202 /nfs/dbraw/zinc/28/92/02/287289202.db2.gz YQDWDRNZMBJOAC-UHFFFAOYSA-N -1 3 295.298 3.003 20 0 CGADHM O=C(Nc1cccc([O-])c1F)C1(c2ccccc2F)CC1 ZINC000128423769 287310598 /nfs/dbraw/zinc/31/05/98/287310598.db2.gz CSERYTHFPGNZAS-UHFFFAOYSA-N -1 3 289.281 3.341 20 0 CGADHM C[C@@H]1CCCC[C@@H]1OCC(=O)Nc1cccc([O-])c1F ZINC000128657719 287315722 /nfs/dbraw/zinc/31/57/22/287315722.db2.gz WFZGAKWSPWTPPT-MFKMUULPSA-N -1 3 281.327 3.065 20 0 CGADHM O=C(Nc1cccc([O-])c1F)c1cccc2cc[nH]c21 ZINC000128877872 287320234 /nfs/dbraw/zinc/32/02/34/287320234.db2.gz YOSPGFAVXARPCC-UHFFFAOYSA-N -1 3 270.263 3.265 20 0 CGADHM CC1(C(=O)[O-])CCN(Cc2cccc(Cl)c2)CC1 ZINC000062844401 416487878 /nfs/dbraw/zinc/48/78/78/416487878.db2.gz SFOFIZJIVQIISC-UHFFFAOYSA-N -1 3 267.756 3.027 20 0 CGADHM CC1(C(=O)[O-])CCN(Cc2ccccc2Cl)CC1 ZINC000062844436 416488147 /nfs/dbraw/zinc/48/81/47/416488147.db2.gz RAYHXEWMCLCDTP-UHFFFAOYSA-N -1 3 267.756 3.027 20 0 CGADHM C[C@@H](c1ccc(F)cc1F)N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000312273063 416534013 /nfs/dbraw/zinc/53/40/13/416534013.db2.gz ANVWRGPSXVVEBB-JFGNBEQYSA-N -1 3 283.318 3.068 20 0 CGADHM O=C(Nc1ccc([O-])cc1F)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000402907138 416548548 /nfs/dbraw/zinc/54/85/48/416548548.db2.gz SUKKWLASSXEQCA-JFGNBEQYSA-N -1 3 261.296 3.072 20 0 CGADHM Cc1nc2ccc(NC(=O)c3cc(C)ccc3[O-])cc2o1 ZINC000127493455 416511949 /nfs/dbraw/zinc/51/19/49/416511949.db2.gz BYDCHURDCXOEBT-UHFFFAOYSA-N -1 3 282.299 3.403 20 0 CGADHM CC1(C(=O)[O-])CCN(Cc2cccc(C(F)F)c2)CC1 ZINC000132291596 416515501 /nfs/dbraw/zinc/51/55/01/416515501.db2.gz IWOZELXJLMEUEQ-UHFFFAOYSA-N -1 3 283.318 3.311 20 0 CGADHM O=C([O-])C[C@H]1CCCCN1Cc1cccc(C(F)F)c1 ZINC000132291089 416515863 /nfs/dbraw/zinc/51/58/63/416515863.db2.gz ZTCMOZMFZLDEJX-CYBMUJFWSA-N -1 3 283.318 3.453 20 0 CGADHM C[C@@H]1CCCN(C(=O)c2ccc3c(c2[O-])CCCC3)C1 ZINC000184781765 287340936 /nfs/dbraw/zinc/34/09/36/287340936.db2.gz QAAYMRGZZMMEJU-GFCCVEGCSA-N -1 3 273.376 3.143 20 0 CGADHM CC(C)c1ccc(C(=O)N2CC[C@@H](C)[C@@H](F)C2)c([O-])c1 ZINC000679263003 543610736 /nfs/dbraw/zinc/61/07/36/543610736.db2.gz WUKPOTLXMVICPE-RISCZKNCSA-N -1 3 279.355 3.336 20 0 CGADHM Cc1ccc(C(=O)N2CC(Cc3ccccc3)C2)c([O-])c1C ZINC000679348175 543624752 /nfs/dbraw/zinc/62/47/52/543624752.db2.gz BIOUJDMNXJATJU-UHFFFAOYSA-N -1 3 295.382 3.324 20 0 CGADHM Cc1cccc([O-])c1NC(=O)CNc1ccccc1Cl ZINC000679320944 543616638 /nfs/dbraw/zinc/61/66/38/543616638.db2.gz YSPDUNORBUDSSM-UHFFFAOYSA-N -1 3 290.750 3.405 20 0 CGADHM Cc1cc(NC(=O)c2cc(C)ccc2[O-])nn1[C@H](C)C1CC1 ZINC000680043532 543679309 /nfs/dbraw/zinc/67/93/09/543679309.db2.gz HPFVAYBKCYNPTP-GFCCVEGCSA-N -1 3 299.374 3.429 20 0 CGADHM CCOc1nc(C(=O)[N-]c2ccc(Cl)cc2F)co1 ZINC000680355031 543703276 /nfs/dbraw/zinc/70/32/76/543703276.db2.gz YLQBQLOIEAOSNK-UHFFFAOYSA-N -1 3 284.674 3.118 20 0 CGADHM Cc1ccc(C(=O)NC(C)(C)CC(F)(F)F)c([O-])c1 ZINC000682020377 543816007 /nfs/dbraw/zinc/81/60/07/543816007.db2.gz IMZSCVFJAVHNJT-UHFFFAOYSA-N -1 3 275.270 3.161 20 0 CGADHM C[C@@H]1CCN(C(=O)c2coc(C3CC3)n2)c2c([O-])cccc21 ZINC000681636922 543798584 /nfs/dbraw/zinc/79/85/84/543798584.db2.gz NXDMDURDZHWWCQ-SNVBAGLBSA-N -1 3 298.342 3.412 20 0 CGADHM CCc1cccc(C(=O)Nc2ccc(C)c(O)c2)c1[O-] ZINC000536733378 288500594 /nfs/dbraw/zinc/50/05/94/288500594.db2.gz WNLALHFKYCVWAU-UHFFFAOYSA-N -1 3 271.316 3.221 20 0 CGADHM Cc1cccc(C(=O)N2CC[C@@H](C(C)(C)C)C2)c1[O-] ZINC000131385939 287377863 /nfs/dbraw/zinc/37/78/63/287377863.db2.gz MCZVZYJOJWJYHJ-GFCCVEGCSA-N -1 3 261.365 3.209 20 0 CGADHM Cc1ccsc1-c1nsc([N-]C(=O)c2ccco2)n1 ZINC000131440207 287379924 /nfs/dbraw/zinc/37/99/24/287379924.db2.gz ZVVGSTWMSHURMS-UHFFFAOYSA-N -1 3 291.357 3.420 20 0 CGADHM C[C@@H](N[C@@H]1CCCN(C(=O)[O-])C1)c1cccc(Cl)c1 ZINC000736661033 572802970 /nfs/dbraw/zinc/80/29/70/572802970.db2.gz CNBWOYMWPXWOQP-ZWNOBZJWSA-N -1 3 282.771 3.133 20 0 CGADHM O=C(Nc1ccc(Cl)cc1[O-])[C@@H]1Cc2ccc(F)cc21 ZINC000684472007 544005910 /nfs/dbraw/zinc/00/59/10/544005910.db2.gz XVJFGTYSLMMKGG-GFCCVEGCSA-N -1 3 291.709 3.463 20 0 CGADHM [O-]c1cccnc1CN(Cc1ccccc1F)C1CC1 ZINC000685408304 544065052 /nfs/dbraw/zinc/06/50/52/544065052.db2.gz CQEMJZBAMFBHDF-UHFFFAOYSA-N -1 3 272.323 3.091 20 0 CGADHM CC(C)c1scnc1[N-]C(=O)c1coc(C2CC2)n1 ZINC000685297407 544060952 /nfs/dbraw/zinc/06/09/52/544060952.db2.gz UEWFULIOCWVRMS-UHFFFAOYSA-N -1 3 277.349 3.384 20 0 CGADHM CC(C)Cn1ncc(C(=O)Nc2ccccc2[O-])c1C1CC1 ZINC000132660973 287408599 /nfs/dbraw/zinc/40/85/99/287408599.db2.gz GMQZIHXTAJSVQS-UHFFFAOYSA-N -1 3 299.374 3.374 20 0 CGADHM CC(C)OCc1cc(NC(=O)c2nccs2)ccc1[O-] ZINC000685886257 544105715 /nfs/dbraw/zinc/10/57/15/544105715.db2.gz KEKCYFCYFHGSHE-UHFFFAOYSA-N -1 3 292.360 3.026 20 0 CGADHM Cc1cccc(C(=O)N2C[C@@H](C)CCC[C@H]2C)c1[O-] ZINC000134049733 287434637 /nfs/dbraw/zinc/43/46/37/287434637.db2.gz YQGJVWMEGJIOHF-WCQYABFASA-N -1 3 261.365 3.351 20 0 CGADHM COCCc1ccccc1NC(=O)c1ccc(C)cc1[O-] ZINC000191704461 227132853 /nfs/dbraw/zinc/13/28/53/227132853.db2.gz VLKRTDLCIPPZAT-UHFFFAOYSA-N -1 3 285.343 3.142 20 0 CGADHM O=C(Cc1ccc([O-])cc1Cl)NC1CCCCCC1 ZINC000136043836 287478163 /nfs/dbraw/zinc/47/81/63/287478163.db2.gz FVVUESAKBXVGAW-UHFFFAOYSA-N -1 3 281.783 3.427 20 0 CGADHM C[C@@H]1CC[C@H](C)CN1Cc1csc(C(=O)[O-])c1 ZINC000652418927 418965460 /nfs/dbraw/zinc/96/54/60/418965460.db2.gz VBWNWMVIXRBSRG-VHSXEESVSA-N -1 3 253.367 3.067 20 0 CGADHM c1ccc2c(c1)CC[C@H]2[N-]c1nc(C2CCOCC2)no1 ZINC000664363212 418942413 /nfs/dbraw/zinc/94/24/13/418942413.db2.gz AWYIUTBIEWNSNI-CQSZACIVSA-N -1 3 285.347 3.063 20 0 CGADHM C[C@H]1CCCN(Cc2c(Cl)cccc2C(=O)[O-])C1 ZINC000652366607 418957988 /nfs/dbraw/zinc/95/79/88/418957988.db2.gz DHJPEXYUBLBHBE-JTQLQIEISA-N -1 3 267.756 3.270 20 0 CGADHM O=C([O-])c1coc(CN2CCCC[C@@H]2C2CCC2)c1 ZINC000652415316 418965046 /nfs/dbraw/zinc/96/50/46/418965046.db2.gz IJAHGPCNIAPZNG-CQSZACIVSA-N -1 3 263.337 3.132 20 0 CGADHM C[C@H](C(=O)Nc1c([O-])cccc1Cl)N1[C@H](C)CC[C@@H]1C ZINC000655110639 419021932 /nfs/dbraw/zinc/02/19/32/419021932.db2.gz HSDATJOPCZEAKX-OUAUKWLOSA-N -1 3 296.798 3.245 20 0 CGADHM CC(C)Oc1ccccc1CN1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC000652496866 418977425 /nfs/dbraw/zinc/97/74/25/418977425.db2.gz FTCWRPZMBJSZFH-ZFWWWQNUSA-N -1 3 291.391 3.016 20 0 CGADHM CCc1cc(C(=O)N2CCC23CCCC3)ccc1[O-] ZINC000652567447 418981951 /nfs/dbraw/zinc/98/19/51/418981951.db2.gz XBUZEEJWPJQNJM-UHFFFAOYSA-N -1 3 259.349 3.113 20 0 CGADHM CC[C@H]1COC(C)(C)CN1C(=O)c1ccc(C)c(C)c1[O-] ZINC000652760728 418989820 /nfs/dbraw/zinc/98/98/20/418989820.db2.gz FXGKGYSIVCTZTJ-ZDUSSCGKSA-N -1 3 291.391 3.039 20 0 CGADHM CC[C@@H]1CN(C(=O)c2ccc(C)c(C)c2[O-])[C@H](CC)CO1 ZINC000652762451 418991043 /nfs/dbraw/zinc/99/10/43/418991043.db2.gz KRUGJUSMZYCXFT-ZIAGYGMSSA-N -1 3 291.391 3.039 20 0 CGADHM CC[C@H]1CN(C(=O)c2ccc(C(C)C)cc2[O-])[C@@H](C)CO1 ZINC000652771483 418991186 /nfs/dbraw/zinc/99/11/86/418991186.db2.gz APPOXYWVGQVQOZ-JSGCOSHPSA-N -1 3 291.391 3.155 20 0 CGADHM CC[C@@H](c1ccc(F)cc1F)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000659801005 418995441 /nfs/dbraw/zinc/99/54/41/418995441.db2.gz DYRIBSUYHGITAA-GMXABZIVSA-N -1 3 297.345 3.459 20 0 CGADHM O=C([O-])[C@H](CNCc1ccc(Cl)cc1F)C1CCC1 ZINC000665359682 419118547 /nfs/dbraw/zinc/11/85/47/419118547.db2.gz IIRXDGWGWSIZDY-GFCCVEGCSA-N -1 3 285.746 3.070 20 0 CGADHM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCC[C@@H](OC2CCC2)C1 ZINC000656191875 419147265 /nfs/dbraw/zinc/14/72/65/419147265.db2.gz SJKWYITVAYPBTN-WCQYABFASA-N -1 3 293.363 3.072 20 0 CGADHM O=c1cc(CSc2ccc3n[nH]cc3c2)nc(C2CC2)[n-]1 ZINC000665688536 419151523 /nfs/dbraw/zinc/15/15/23/419151523.db2.gz KSEKPUVHJGHXGD-UHFFFAOYSA-N -1 3 298.371 3.228 20 0 CGADHM CCc1nsc([N-][C@@H](C[C@@H]2CCCO2)C(F)(F)F)n1 ZINC000656224112 419154066 /nfs/dbraw/zinc/15/40/66/419154066.db2.gz CVVLGGMDCMVZHC-YUMQZZPRSA-N -1 3 295.330 3.012 20 0 CGADHM CSc1ccc([O-])c(C(=O)NC(C2CC2)C2CC2)c1 ZINC000665876396 419168764 /nfs/dbraw/zinc/16/87/64/419168764.db2.gz AUGNFAWEDSBRPG-UHFFFAOYSA-N -1 3 277.389 3.033 20 0 CGADHM O=c1cc(CN2CCC3(CC3)CC2)nc(-c2ccccc2)[n-]1 ZINC000656480707 419176932 /nfs/dbraw/zinc/17/69/32/419176932.db2.gz UNEGETZNWYDOQU-UHFFFAOYSA-N -1 3 295.386 3.225 20 0 CGADHM CCc1cnc(C=Cc2cc(=O)[n-]c(C3CC3)n2)s1 ZINC000666087308 419188930 /nfs/dbraw/zinc/18/89/30/419188930.db2.gz CLDCTXPSYKRKEU-AATRIKPKSA-N -1 3 273.361 3.249 20 0 CGADHM Cc1cc(=O)[n-]c(C(C)(C)NCc2sccc2Cl)n1 ZINC000660749764 419189428 /nfs/dbraw/zinc/18/94/28/419189428.db2.gz PGXJLOXBHDJDRL-UHFFFAOYSA-N -1 3 297.811 3.230 20 0 CGADHM COCc1csc(CNCc2ccc([O-])c(F)c2)c1 ZINC000657370739 419262162 /nfs/dbraw/zinc/26/21/62/419262162.db2.gz PQEYIWUHANGGMP-UHFFFAOYSA-N -1 3 281.352 3.029 20 0 CGADHM CCC[C@@H](C)N(C)C(=O)c1cc(SC)ccc1[O-] ZINC000666352150 419209981 /nfs/dbraw/zinc/20/99/81/419209981.db2.gz PDLGCTUOYXNYIT-SNVBAGLBSA-N -1 3 267.394 3.375 20 0 CGADHM O=C([O-])c1cc(F)ccc1CN1CCC[C@@H](CCF)C1 ZINC000656762322 419212768 /nfs/dbraw/zinc/21/27/68/419212768.db2.gz CMCCLPOCZDTMCQ-NSHDSACASA-N -1 3 283.318 3.096 20 0 CGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]CCC(C)(C)F)c1 ZINC000657141817 419228235 /nfs/dbraw/zinc/22/82/35/419228235.db2.gz RDOFBQAAPCQEQK-UHFFFAOYSA-N -1 3 293.791 3.065 20 0 CGADHM C[C@@H]1CCC[C@H](CNCc2cccc([O-])c2Cl)O1 ZINC000657669571 419325029 /nfs/dbraw/zinc/32/50/29/419325029.db2.gz NPKWXOCLDIOYGO-ZYHUDNBSSA-N -1 3 269.772 3.093 20 0 CGADHM [O-]c1ccc(F)c(CN2CCC(OC3CCC3)CC2)c1F ZINC000418097703 228036091 /nfs/dbraw/zinc/03/60/91/228036091.db2.gz XHSSPIZFBNKRPY-UHFFFAOYSA-N -1 3 297.345 3.204 20 0 CGADHM O=C(CC1(C(F)(F)F)CC1)Nc1ccc([O-])cc1F ZINC000355933154 228056013 /nfs/dbraw/zinc/05/60/13/228056013.db2.gz TXTYJSXJIQHERW-UHFFFAOYSA-N -1 3 277.217 3.202 20 0 CGADHM CC1(C)C[C@@]1(C)NCc1cccc([O-])c1Br ZINC000657761008 419337988 /nfs/dbraw/zinc/33/79/88/419337988.db2.gz DRFYGDMOVBUOHK-CYBMUJFWSA-N -1 3 284.197 3.433 20 0 CGADHM COc1ccc(Cl)c(CN(CC(=O)[O-])CC(C)(C)C)c1 ZINC000662225571 419366232 /nfs/dbraw/zinc/36/62/32/419366232.db2.gz VSUATXNGFYXNIV-UHFFFAOYSA-N -1 3 299.798 3.281 20 0 CGADHM C[C@H](CCCCC(=O)[O-])NCc1ccc(F)c(F)c1F ZINC000663258689 419532095 /nfs/dbraw/zinc/53/20/95/419532095.db2.gz IHTSNSWDJSPBHJ-SECBINFHSA-N -1 3 289.297 3.227 20 0 CGADHM CCc1noc([N-]Cc2cc3ccc(C)cc3[nH]2)n1 ZINC000663256652 419533307 /nfs/dbraw/zinc/53/33/07/419533307.db2.gz GFZSEYHXEZORFP-UHFFFAOYSA-N -1 3 256.309 3.034 20 0 CGADHM CCCC[C@H](CCC)NC(=O)c1ccc(O)cc1[O-] ZINC000226197459 287633650 /nfs/dbraw/zinc/63/36/50/287633650.db2.gz FCPNWAVDHNQTQN-NSHDSACASA-N -1 3 265.353 3.187 20 0 CGADHM Cc1cc(C(=O)N[C@H](C)c2ccccc2)ccc1[O-] ZINC000226713497 287635597 /nfs/dbraw/zinc/63/55/97/287635597.db2.gz YLTVSOILBASFPV-GFCCVEGCSA-N -1 3 255.317 3.192 20 0 CGADHM CCc1cccc(C(=O)N(CC2CC2)C2CCC2)c1[O-] ZINC000526039088 260001681 /nfs/dbraw/zinc/00/16/81/260001681.db2.gz ANHKOPUMNBNHHX-UHFFFAOYSA-N -1 3 273.376 3.359 20 0 CGADHM Cc1ccc(NC(=O)/C(C#N)=C/c2ccc([O-])cc2)cc1 ZINC000000434321 263784068 /nfs/dbraw/zinc/78/40/68/263784068.db2.gz UVSKRWHGMNIOLU-GXDHUFHOSA-N -1 3 278.311 3.246 20 0 CGADHM Cc1ccc(-c2nc(CNCCCC(=O)[O-])cs2)cc1 ZINC000035422867 270027948 /nfs/dbraw/zinc/02/79/48/270027948.db2.gz FGHPDRWTWFYRAV-UHFFFAOYSA-N -1 3 290.388 3.073 20 0 CGADHM Cc1ccc([O-])c(C(=O)N[C@H](C)CCc2ccco2)c1 ZINC000042306582 270032281 /nfs/dbraw/zinc/03/22/81/270032281.db2.gz DJZPFHAQZYHXIZ-GFCCVEGCSA-N -1 3 273.332 3.045 20 0 CGADHM COc1cccc(C(=O)NCC2(C)CCCCC2)c1[O-] ZINC000229591524 270088429 /nfs/dbraw/zinc/08/84/29/270088429.db2.gz IPTUOQKWSASFQU-UHFFFAOYSA-N -1 3 277.364 3.101 20 0 CGADHM COc1c(C)cc(CN(C)Cc2ncccc2[O-])cc1C ZINC000520891373 270099663 /nfs/dbraw/zinc/09/96/63/270099663.db2.gz MMHRUYZYXBLVNH-UHFFFAOYSA-N -1 3 286.375 3.045 20 0 CGADHM Cc1ccccc1-c1cc(=NC(=O)[C@H](C)C(C)C)[nH][n-]1 ZINC000522212202 270105349 /nfs/dbraw/zinc/10/53/49/270105349.db2.gz SKZVBVUWSZWYGJ-GFCCVEGCSA-N -1 3 271.364 3.038 20 0 CGADHM O=C(NCC1CCCC1)c1cc([O-])cc(Br)c1 ZINC000527897734 270142712 /nfs/dbraw/zinc/14/27/12/270142712.db2.gz ZMLFGTFGDIHGIX-UHFFFAOYSA-N -1 3 298.180 3.075 20 0 CGADHM CC(C)ON=C([O-])Nc1cccc(C2CCOCC2)c1 ZINC000529261724 270179230 /nfs/dbraw/zinc/17/92/30/270179230.db2.gz PUXAHBRNCLDBCO-UHFFFAOYSA-N -1 3 278.352 3.042 20 0 CGADHM CC(C)O[N-]C(=O)Nc1cccc(C2CCOCC2)c1 ZINC000529261724 270179231 /nfs/dbraw/zinc/17/92/31/270179231.db2.gz PUXAHBRNCLDBCO-UHFFFAOYSA-N -1 3 278.352 3.042 20 0 CGADHM O=C(NCC(C1CCC1)C1CCC1)c1cccc([O-])c1 ZINC000529608989 270185768 /nfs/dbraw/zinc/18/57/68/270185768.db2.gz CHHZNKCFLKYASQ-UHFFFAOYSA-N -1 3 273.376 3.338 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)[C@H]2C[C@@H]2C2CC2)c1-c1ccc(C)cc1 ZINC000530272636 270198085 /nfs/dbraw/zinc/19/80/85/270198085.db2.gz MGWJKIJMECXQGT-CABCVRRESA-N -1 3 295.386 3.100 20 0 CGADHM CC(C)(C)c1ccc(S(=O)(=O)[N-]C2(C3CC3)CC2)s1 ZINC000533039240 270221186 /nfs/dbraw/zinc/22/11/86/270221186.db2.gz UBCSVTMWRLZJAU-UHFFFAOYSA-N -1 3 299.461 3.267 20 0 CGADHM CC(C)c1cc(C(=O)[N-]c2nc3c(s2)CCCC3)on1 ZINC000261412457 276046786 /nfs/dbraw/zinc/04/67/86/276046786.db2.gz KZBMLCOWHTVLAA-UHFFFAOYSA-N -1 3 291.376 3.386 20 0 CGADHM CC[C@H](C)[C@H](OC)C(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000356822833 276622418 /nfs/dbraw/zinc/62/24/18/276622418.db2.gz OVNVUBCCOZLGIN-MKBNYLNASA-N -1 3 291.391 3.294 20 0 CGADHM CO[C@@H]1CN(C(=O)c2ccc(C(C)C)cc2[O-])CC[C@@H]1C ZINC000276117726 277298778 /nfs/dbraw/zinc/29/87/78/277298778.db2.gz YBRYMKNUJTUGAX-BLLLJJGKSA-N -1 3 291.391 3.013 20 0 CGADHM COc1cccc(C(=O)N2CCCc3cc(C)ccc32)c1[O-] ZINC000020260255 278007341 /nfs/dbraw/zinc/00/73/41/278007341.db2.gz NQXLUQFYCQBDKW-UHFFFAOYSA-N -1 3 297.354 3.302 20 0 CGADHM Cc1ccc(C(=O)Nc2ccc3c(c2)CCCO3)c([O-])c1 ZINC000394913230 288004637 /nfs/dbraw/zinc/00/46/37/288004637.db2.gz BAKFXBDDJNFHQL-UHFFFAOYSA-N -1 3 283.327 3.278 20 0 CGADHM CSC[C@@H](C)C(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000186270636 278133664 /nfs/dbraw/zinc/13/36/64/278133664.db2.gz AGFHLPHKHHYTKU-WDEREUQCSA-N -1 3 279.405 3.232 20 0 CGADHM CC1(C)C(C(=O)Nc2ccc([O-])cc2F)C1(C)C ZINC000091492370 278182371 /nfs/dbraw/zinc/18/23/71/278182371.db2.gz JWDHKUONNMBRTE-UHFFFAOYSA-N -1 3 251.301 3.152 20 0 CGADHM CCCCOc1ccc(C(=O)N(CC)CC)c([O-])c1 ZINC000189994253 278717103 /nfs/dbraw/zinc/71/71/03/278717103.db2.gz CGNVIDHFRHIYDU-UHFFFAOYSA-N -1 3 265.353 3.053 20 0 CGADHM CC(C)(C)C1=CCN(Cc2cc(=O)[n-]c(C3CC3)n2)CC1 ZINC000459376968 288086273 /nfs/dbraw/zinc/08/62/73/288086273.db2.gz ORZHDYNVJRUFFK-UHFFFAOYSA-N -1 3 287.407 3.238 20 0 CGADHM O=c1cc(CN2CCCC3(CC3)C2)nc(-c2ccccc2)[n-]1 ZINC000459410104 288090774 /nfs/dbraw/zinc/09/07/74/288090774.db2.gz OSYSTMSEBRXHCQ-UHFFFAOYSA-N -1 3 295.386 3.225 20 0 CGADHM O=C(c1ccsc1)N1CCCc2cccc([O-])c21 ZINC000063063771 280223185 /nfs/dbraw/zinc/22/31/85/280223185.db2.gz QKPABZQIPIPFIW-UHFFFAOYSA-N -1 3 259.330 3.047 20 0 CGADHM CC[C@@H]1CCCN1C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000436958427 280283604 /nfs/dbraw/zinc/28/36/04/280283604.db2.gz ATOYZJTZYUDFOJ-CYBMUJFWSA-N -1 3 273.376 3.286 20 0 CGADHM CC[C@H]1CCc2nc([N-]C(=O)c3cc(C)no3)sc2C1 ZINC000046784877 281124626 /nfs/dbraw/zinc/12/46/26/281124626.db2.gz OCLKFHWFFCOARG-VIFPVBQESA-N -1 3 291.376 3.207 20 0 CGADHM Cc1ccc(F)c(CN2[C@H](C)CC(C(=O)[O-])C[C@H]2C)c1 ZINC000530177058 288294859 /nfs/dbraw/zinc/29/48/59/288294859.db2.gz WPWXWCOQAUVHER-VXGBXAGGSA-N -1 3 279.355 3.208 20 0 CGADHM CCc1cccc(C(=O)N2C[C@H](C)C[C@@H](C)[C@@H]2C)c1[O-] ZINC000530510130 288308784 /nfs/dbraw/zinc/30/87/84/288308784.db2.gz CDMLUKGNLPZZAF-UPJWGTAASA-N -1 3 275.392 3.461 20 0 CGADHM CCc1cccc(C(=O)NC[C@@H](OC)c2ccccc2)c1[O-] ZINC000530955494 288320390 /nfs/dbraw/zinc/32/03/90/288320390.db2.gz UUHZXEAKQRWLHE-MRXNPFEDSA-N -1 3 299.370 3.072 20 0 CGADHM CCc1cc(C(=O)N2CCN(C)c3ccccc32)ccc1[O-] ZINC000486283122 281376953 /nfs/dbraw/zinc/37/69/53/281376953.db2.gz LNLDOJCNUTXQEQ-UHFFFAOYSA-N -1 3 296.370 3.051 20 0 CGADHM CC(C)(C)c1ccc(C(=O)Nc2ncccc2[O-])s1 ZINC000532185100 288353900 /nfs/dbraw/zinc/35/39/00/288353900.db2.gz WKIVLBFRMZLDKX-UHFFFAOYSA-N -1 3 276.361 3.399 20 0 CGADHM CC(C)C[C@@H](C)[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000535145097 288441940 /nfs/dbraw/zinc/44/19/40/288441940.db2.gz ZRUMBWZEPHBTOI-SECBINFHSA-N -1 3 293.791 3.192 20 0 CGADHM C[C@@H]1C[C@@H](C)[C@@H](C)N(C(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC000356674198 288491943 /nfs/dbraw/zinc/49/19/43/288491943.db2.gz NOHMFXOTDWPVLT-JHJVBQTASA-N -1 3 298.386 3.035 20 0 CGADHM CCCc1occc1C(=O)Nc1cccc([O-])c1F ZINC000547405866 288959707 /nfs/dbraw/zinc/95/97/07/288959707.db2.gz KLJAJSRQOHVZRN-UHFFFAOYSA-N -1 3 263.268 3.329 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)[C@H]2C[C@@H]2C(C)C)c1-c1ccccc1 ZINC000547533883 288967857 /nfs/dbraw/zinc/96/78/57/288967857.db2.gz ACFYAUIERZCRCR-KGLIPLIRSA-N -1 3 283.375 3.038 20 0 CGADHM C[C@@H]1c2ccccc2CCN1C(=O)c1ccccc1[O-] ZINC000171506631 289075128 /nfs/dbraw/zinc/07/51/28/289075128.db2.gz WUIQMYPJGLQHHX-GFCCVEGCSA-N -1 3 267.328 3.152 20 0 CGADHM CN(C)CCN(Cc1cccc([O-])c1Cl)C1CCCC1 ZINC000512689401 289147258 /nfs/dbraw/zinc/14/72/58/289147258.db2.gz HEOWPZUUIDFMDB-UHFFFAOYSA-N -1 3 296.842 3.352 20 0 CGADHM C[C@H]1CC[C@H](CCC(=O)Nc2c([O-])cccc2Cl)O1 ZINC000552434173 289188794 /nfs/dbraw/zinc/18/87/94/289188794.db2.gz FAJSKMFTIZPZOF-VHSXEESVSA-N -1 3 283.755 3.332 20 0 CGADHM C[C@H](CC1CCCCC1)C(=O)N=c1cc2ccccn2[n-]1 ZINC000553000499 289205199 /nfs/dbraw/zinc/20/51/99/289205199.db2.gz JXKQEEGCEBUZAO-CYBMUJFWSA-N -1 3 285.391 3.301 20 0 CGADHM O=C(N=c1cc2ccccn2[n-]1)[C@@H]1CCC[C@@H]2CCCC[C@@H]12 ZINC000553320340 289219218 /nfs/dbraw/zinc/21/92/18/289219218.db2.gz AQWUQNLSUFKTQY-NUEKZKHPSA-N -1 3 297.402 3.301 20 0 CGADHM CCn1nc(C)c(C=Cc2cc(=O)[n-]c(C3CC3)n2)c1C ZINC000554519000 289288783 /nfs/dbraw/zinc/28/87/83/289288783.db2.gz SYKRUNBPSSGCCZ-FPLPWBNLSA-N -1 3 284.363 3.063 20 0 CGADHM CC(C)C(C)(C)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000556502714 289395512 /nfs/dbraw/zinc/39/55/12/289395512.db2.gz GVCQPLRGMMHIRC-UHFFFAOYSA-N -1 3 293.791 3.192 20 0 CGADHM Cc1cncc(C(=O)N2CC[C@H](C)c3cccc([O-])c32)c1 ZINC000274395948 292965431 /nfs/dbraw/zinc/96/54/31/292965431.db2.gz QYARNRLBVDUYIA-LBPRGKRZSA-N -1 3 282.343 3.250 20 0 CGADHM COc1cccc(C(=O)N2CCc3ccccc3[C@H]2C)c1[O-] ZINC000106684074 295286817 /nfs/dbraw/zinc/28/68/17/295286817.db2.gz LJQBDVXIZRUBMJ-GFCCVEGCSA-N -1 3 297.354 3.160 20 0 CGADHM C[C@H](CC(=O)Nc1ncccc1[O-])c1c[nH]c2ccccc21 ZINC000427460608 533694759 /nfs/dbraw/zinc/69/47/59/533694759.db2.gz WPFBJNWMRKHINA-LLVKDONJSA-N -1 3 295.342 3.401 20 0 CGADHM Cc1cc(C(=O)N2CCSC[C@@H]2C2CCC2)ccc1[O-] ZINC000416325625 301110847 /nfs/dbraw/zinc/11/08/47/301110847.db2.gz SZCAOKCVRQNVCZ-CQSZACIVSA-N -1 3 291.416 3.058 20 0 CGADHM Cc1ccc(C(=O)N2C[C@H](C3CC3)[C@@H]2C2CC2)c([O-])c1C ZINC000456306966 301521977 /nfs/dbraw/zinc/52/19/77/301521977.db2.gz UFRBNIWHODLXDD-CVEARBPZSA-N -1 3 285.387 3.270 20 0 CGADHM O=C(Cc1ccc([O-])cc1Cl)N1CCC[C@H]2CCC[C@H]21 ZINC000154812048 303655011 /nfs/dbraw/zinc/65/50/11/303655011.db2.gz LDOMRPPDOFTBNI-IAQYHMDHSA-N -1 3 293.794 3.379 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)Sc2ccc(F)cc2)n1 ZINC000155847160 321770181 /nfs/dbraw/zinc/77/01/81/321770181.db2.gz DCGJGYQIVYPMRA-VIFPVBQESA-N -1 3 264.325 3.483 20 0 CGADHM COc1ccc(C[C@H](C)C(=O)Nc2ccccc2[O-])cc1 ZINC000157947423 321806289 /nfs/dbraw/zinc/80/62/89/321806289.db2.gz CSPPHKJKANOTKH-LBPRGKRZSA-N -1 3 285.343 3.218 20 0 CGADHM CCCCC1CCC(NC(=O)Cc2cncc([O-])c2)CC1 ZINC000564099731 322020531 /nfs/dbraw/zinc/02/05/31/322020531.db2.gz NMWMPYZDKWIFPN-UHFFFAOYSA-N -1 3 290.407 3.195 20 0 CGADHM O=C([O-])c1cnccc1N1CCC[C@@H]1c1cccs1 ZINC000564659468 322038150 /nfs/dbraw/zinc/03/81/50/322038150.db2.gz XJWHNYPRWURBEC-GFCCVEGCSA-N -1 3 274.345 3.183 20 0 CGADHM C[C@H]1C[C@H]1c1ccc(CN(CCCC(=O)[O-])C2CC2)o1 ZINC000564752388 322041500 /nfs/dbraw/zinc/04/15/00/322041500.db2.gz KELBNZNYMOXXQP-SMDDNHRTSA-N -1 3 277.364 3.232 20 0 CGADHM CCC[C@@](C)(CC)c1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000564863227 322046569 /nfs/dbraw/zinc/04/65/69/322046569.db2.gz XWCIHOBMQPQTNP-OAHLLOKOSA-N -1 3 285.351 3.476 20 0 CGADHM C[C@H]1[C@H](c2ccccc2)CCN1c1ccncc1C(=O)[O-] ZINC000565036538 322056265 /nfs/dbraw/zinc/05/62/65/322056265.db2.gz VHDXIMSVXZZWIA-GXTWGEPZSA-N -1 3 282.343 3.162 20 0 CGADHM Cc1cc([C@H](C)N2CC(C)(C)C[C@@H]2C)oc1C(=O)[O-] ZINC000565601565 322083351 /nfs/dbraw/zinc/08/33/51/322083351.db2.gz YTEWRKWSDHOYBH-QWRGUYRKSA-N -1 3 265.353 3.468 20 0 CGADHM C[C@@H]1CN(Cc2ccc(Cl)cc2F)C[C@]1(C)C(=O)[O-] ZINC000566368175 322118878 /nfs/dbraw/zinc/11/88/78/322118878.db2.gz TVIGVASAHUTPDD-OTYXRUKQSA-N -1 3 285.746 3.022 20 0 CGADHM COc1cc(Cl)ccc1CN1C[C@@H](C(=O)[O-])CC[C@H]1C ZINC000566678017 322134118 /nfs/dbraw/zinc/13/41/18/322134118.db2.gz LWTGGWFIZLLUQB-PWSUYJOCSA-N -1 3 297.782 3.034 20 0 CGADHM CC(C)c1nnc(C(=O)Nc2c([O-])cccc2Cl)s1 ZINC000567060002 322149003 /nfs/dbraw/zinc/14/90/03/322149003.db2.gz LHEUVJFDNFKQEA-UHFFFAOYSA-N -1 3 297.767 3.273 20 0 CGADHM Cc1cccc(Cl)c1CN1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000567172984 322153040 /nfs/dbraw/zinc/15/30/40/322153040.db2.gz IAJLUZBSAXZVDK-CYBMUJFWSA-N -1 3 293.794 3.335 20 0 CGADHM Cc1ccc(CN[C@H](Cc2ccco2)C(=O)[O-])c(Cl)c1 ZINC000567392354 322161907 /nfs/dbraw/zinc/16/19/07/322161907.db2.gz OBMLWGCNOPYQRL-CQSZACIVSA-N -1 3 293.750 3.027 20 0 CGADHM CCC[C@H](C)C[C@@H](NCc1ccc(OC)cc1F)C(=O)[O-] ZINC000567986618 322186886 /nfs/dbraw/zinc/18/68/86/322186886.db2.gz YXYLLCCLWLEHBH-XHDPSFHLSA-N -1 3 297.370 3.203 20 0 CGADHM CCC(CC)(CO)C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000568219586 322198588 /nfs/dbraw/zinc/19/85/88/322198588.db2.gz XIGCFGXMDXBITJ-UHFFFAOYSA-N -1 3 293.407 3.427 20 0 CGADHM CCC[C@@H](C)[C@H]1CCCN1Cc1nc(C(=O)[O-])cs1 ZINC000569250608 322241134 /nfs/dbraw/zinc/24/11/34/322241134.db2.gz AZRVRGISLKXWKQ-ZYHUDNBSSA-N -1 3 282.409 3.242 20 0 CGADHM CCCN(Cc1ccccc1)[C@@H](C(=O)[O-])c1cccnc1 ZINC000570808127 322282880 /nfs/dbraw/zinc/28/28/80/322282880.db2.gz CQQMFDPYNNHGIY-MRXNPFEDSA-N -1 3 284.359 3.120 20 0 CGADHM CCN(Cc1oc(-c2ccccc2)nc1C(=O)[O-])C1CC1 ZINC000571217262 322293115 /nfs/dbraw/zinc/29/31/15/322293115.db2.gz DOSKAPCVUWOXBO-UHFFFAOYSA-N -1 3 286.331 3.024 20 0 CGADHM O=C([O-])c1occc1CN1CCC(c2ccccc2)CC1 ZINC000573009106 322365704 /nfs/dbraw/zinc/36/57/04/322365704.db2.gz QLOUMJQTCCMHTB-UHFFFAOYSA-N -1 3 285.343 3.357 20 0 CGADHM CC(C)(C)c1nc(C=Cc2cnc(C3CC3)nc2)cc(=O)[n-]1 ZINC000574500846 322443810 /nfs/dbraw/zinc/44/38/10/322443810.db2.gz OCWQSDGHIBYIBZ-DAXSKMNVSA-N -1 3 296.374 3.318 20 0 CGADHM CO[C@@H]1CCC[C@H](C(=O)Nc2c([O-])cccc2Cl)C1 ZINC000575760733 322488577 /nfs/dbraw/zinc/48/85/77/322488577.db2.gz WVGMNDPKESGXQQ-VHSXEESVSA-N -1 3 283.755 3.189 20 0 CGADHM CCC[C@H](C(=O)[O-])N(C)Cc1cc(Cl)ccc1OC ZINC000583386769 327337625 /nfs/dbraw/zinc/33/76/25/327337625.db2.gz LTXDJQZALJUMIR-GFCCVEGCSA-N -1 3 285.771 3.034 20 0 CGADHM CCCCc1nc(CN2C[C@@H](C)[C@](C)(C(=O)[O-])C2)cs1 ZINC000582127745 327350264 /nfs/dbraw/zinc/35/02/64/327350264.db2.gz HMWOOVXFXFCRNI-IAQYHMDHSA-N -1 3 296.436 3.028 20 0 CGADHM C[C@@H](NC(=O)c1cccc([O-])c1)[C@@H]1CC2CCC1CC2 ZINC000394295806 329116590 /nfs/dbraw/zinc/11/65/90/329116590.db2.gz ARBSREOSHVHNBD-OCLKLICZSA-N -1 3 273.376 3.337 20 0 CGADHM COc1cccc([C@H](C)C(=O)Nc2cc(F)ccc2[O-])c1 ZINC000174877823 335168265 /nfs/dbraw/zinc/16/82/65/335168265.db2.gz IRBKGTOQVZPKRQ-JTQLQIEISA-N -1 3 289.306 3.282 20 0 CGADHM C[C@H](C(=O)Nc1ccccc1[O-])c1cccc(F)c1 ZINC000175082689 335173227 /nfs/dbraw/zinc/17/32/27/335173227.db2.gz WTQJILMTLDOQRT-JTQLQIEISA-N -1 3 259.280 3.274 20 0 CGADHM Cc1cc(N2CC[C@H](C)[C@H](C(=O)[O-])C2)c2ccccc2n1 ZINC000577062990 335293881 /nfs/dbraw/zinc/29/38/81/335293881.db2.gz UTCYOOLCPPIJLE-SMDDNHRTSA-N -1 3 284.359 3.090 20 0 CGADHM CCc1ccc(-c2nc(CCC3CC3)no2)c([O-])c1 ZINC000580632558 335306952 /nfs/dbraw/zinc/30/69/52/335306952.db2.gz JZDBKENCHUETIP-UHFFFAOYSA-N -1 3 258.321 3.347 20 0 CGADHM CCc1cc(C(=O)N2CCC[C@@H]2c2ccccn2)ccc1[O-] ZINC000577161659 335312678 /nfs/dbraw/zinc/31/26/78/335312678.db2.gz ROYZOEKFGRTUSN-MRXNPFEDSA-N -1 3 296.370 3.327 20 0 CGADHM Cc1cc([C@@H](C)NCc2ncccc2[O-])ccc1F ZINC000577973170 335444500 /nfs/dbraw/zinc/44/45/00/335444500.db2.gz PBKDUBVAHIFHPG-LLVKDONJSA-N -1 3 260.312 3.086 20 0 CGADHM COc1cc(C)cc(-c2nc(-c3cccnc3C)no2)c1[O-] ZINC000350578500 335516081 /nfs/dbraw/zinc/51/60/81/335516081.db2.gz WQPYCZNVUKSKIV-UHFFFAOYSA-N -1 3 297.314 3.130 20 0 CGADHM c1cc(-c2noc([C@H]3CC34CCCC4)n2)cc2n[n-]nc12 ZINC000351468669 335615738 /nfs/dbraw/zinc/61/57/38/335615738.db2.gz XQUGNSBQLUSLNW-SNVBAGLBSA-N -1 3 281.319 3.056 20 0 CGADHM CC1(C)CC(C(=O)N2CCCc3cccc([O-])c32)C1 ZINC000579843961 335905558 /nfs/dbraw/zinc/90/55/58/335905558.db2.gz CSVYYRJFVNFPNP-UHFFFAOYSA-N -1 3 259.349 3.108 20 0 CGADHM Cc1cccc(C(=O)N2CC(C)(C)[C@@H]3CCC[C@H]32)c1[O-] ZINC000381146046 336052062 /nfs/dbraw/zinc/05/20/62/336052062.db2.gz RKIVJURGUKNSCQ-ZIAGYGMSSA-N -1 3 273.376 3.351 20 0 CGADHM C[C@@H]1CCCCN1Cc1cccc(C(=O)[O-])c1Cl ZINC000381883552 336075426 /nfs/dbraw/zinc/07/54/26/336075426.db2.gz KODJWUSRWFZWRY-SNVBAGLBSA-N -1 3 267.756 3.413 20 0 CGADHM C[C@@H]1C[C@H](C)CN1Cc1cccc(C(=O)[O-])c1Cl ZINC000381976472 336079251 /nfs/dbraw/zinc/07/92/51/336079251.db2.gz WDMFSDRTEWYGEP-VHSXEESVSA-N -1 3 267.756 3.269 20 0 CGADHM CC[C@H]1CCC[C@H]1C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000581609568 336112051 /nfs/dbraw/zinc/11/20/51/336112051.db2.gz GLYZEXAOTSTNTF-WCQYABFASA-N -1 3 275.348 3.360 20 0 CGADHM C[C@H](NC(=O)c1ccc(O)cc1[O-])c1ccc(Cl)cc1 ZINC000192821314 533754930 /nfs/dbraw/zinc/75/49/30/533754930.db2.gz YYNXLWUGKBXEPL-VIFPVBQESA-N -1 3 291.734 3.242 20 0 CGADHM C[C@H](CC1CCCCC1)NC(=O)c1ccc2n[n-]nc2c1 ZINC000428062738 533781456 /nfs/dbraw/zinc/78/14/56/533781456.db2.gz RDDVPOPWSWUUSD-LLVKDONJSA-N -1 3 286.379 3.047 20 0 CGADHM Cc1ccc(CN[C@H](C(=O)[O-])c2cccc(F)c2)cc1C ZINC000426799911 534085785 /nfs/dbraw/zinc/08/57/85/534085785.db2.gz JXNOWRASQVSUAK-INIZCTEOSA-N -1 3 287.334 3.358 20 0 CGADHM Cc1cc2cc(CN[C@H]3C=C[C@@H](C(=O)[O-])C3)oc2cc1C ZINC000417620343 534093551 /nfs/dbraw/zinc/09/35/51/534093551.db2.gz LJMBJGCUIWSJCI-OCCSQVGLSA-N -1 3 285.343 3.169 20 0 CGADHM Cc1ccc(-c2nc(-c3cnccc3C)no2)c([O-])c1 ZINC000168216811 534205790 /nfs/dbraw/zinc/20/57/90/534205790.db2.gz HHXJUWBODGLZIE-UHFFFAOYSA-N -1 3 267.288 3.121 20 0 CGADHM O=C(Nc1ccccc1[O-])[C@H]1C[C@H]1c1cccc(F)c1F ZINC000175083217 534398439 /nfs/dbraw/zinc/39/84/39/534398439.db2.gz QPQZFPFLOMLWIU-QWRGUYRKSA-N -1 3 289.281 3.413 20 0 CGADHM O=C([O-])CC1(CNCc2cc(F)ccc2F)CCCCC1 ZINC000426670756 534486698 /nfs/dbraw/zinc/48/66/98/534486698.db2.gz HQBHGCHXAAMQMS-UHFFFAOYSA-N -1 3 297.345 3.480 20 0 CGADHM O=C([O-])[C@H](NCc1coc2ccccc12)c1cccc(F)c1 ZINC000426818981 534531046 /nfs/dbraw/zinc/53/10/46/534531046.db2.gz GWWHPWOXGZQPJY-MRXNPFEDSA-N -1 3 299.301 3.487 20 0 CGADHM CCC(CC)c1nnc([N-]C(=O)c2scnc2C)s1 ZINC000048818137 521637102 /nfs/dbraw/zinc/63/71/02/521637102.db2.gz ITXLNHJZTPHKOS-UHFFFAOYSA-N -1 3 296.421 3.459 20 0 CGADHM Cc1cccc(C(=O)N(C)Cc2cccc3[nH]ccc32)c1[O-] ZINC000436818060 534584627 /nfs/dbraw/zinc/58/46/27/534584627.db2.gz UFNHXNMFMWHCEN-UHFFFAOYSA-N -1 3 294.354 3.454 20 0 CGADHM O=C(NCc1ccc(C2CCC2)cc1)c1ccc(O)cc1[O-] ZINC000436819031 534658234 /nfs/dbraw/zinc/65/82/34/534658234.db2.gz MDGXVBVANGFPDI-UHFFFAOYSA-N -1 3 297.354 3.295 20 0 CGADHM Cc1cc(C)cc(C[S@](=O)c2ccc([O-])cc2)c1 ZINC000108083006 524401985 /nfs/dbraw/zinc/40/19/85/524401985.db2.gz JKFPRHHSPBFBEI-GOSISDBHSA-N -1 3 260.358 3.317 20 0 CGADHM C[C@H](Cc1ccncc1)NCc1cccc([O-])c1Cl ZINC000339294574 524757294 /nfs/dbraw/zinc/75/72/94/524757294.db2.gz YAJABYLXPWGBDN-LLVKDONJSA-N -1 3 276.767 3.161 20 0 CGADHM Cc1ccc(C(=O)N2CCC[C@H]3CCC[C@H]32)c([O-])c1 ZINC000087777690 526107620 /nfs/dbraw/zinc/10/76/20/526107620.db2.gz AQPUGQMRMMRJOZ-TZMCWYRMSA-N -1 3 259.349 3.105 20 0 CGADHM C/C=C\c1ccc(NC(=O)Cc2c(C)nc(C)[n-]c2=O)cc1 ZINC000360318928 526339704 /nfs/dbraw/zinc/33/97/04/526339704.db2.gz OKYIPHCIECZDPN-PLNGDYQASA-N -1 3 297.358 3.013 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])c1sccc1Cl ZINC000334203838 527129320 /nfs/dbraw/zinc/12/93/20/527129320.db2.gz UYGMPZFHOXGFLC-UHFFFAOYSA-N -1 3 271.700 3.499 20 0 CGADHM CC(C)(C)C[C@@H](NC(=O)c1ccccc1[O-])C(F)(F)F ZINC000436889393 527694187 /nfs/dbraw/zinc/69/41/87/527694187.db2.gz YFUCGESINMMPCE-LLVKDONJSA-N -1 3 289.297 3.489 20 0 CGADHM CC(C)[C@H]1CCN1C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436686520 527805755 /nfs/dbraw/zinc/80/57/55/527805755.db2.gz FRUQFSCDFOTZLZ-OAHLLOKOSA-N -1 3 273.376 3.142 20 0 CGADHM CC(C)c1cnc(NCc2c(F)ccc([O-])c2F)s1 ZINC000438930176 528005758 /nfs/dbraw/zinc/00/57/58/528005758.db2.gz MDFHDCBJOOKSCN-UHFFFAOYSA-N -1 3 284.331 3.284 20 0 CGADHM CC(C)c1ccc(C(=O)N[C@@H]2CCC[C@@H]2F)c([O-])c1 ZINC000436777111 528075917 /nfs/dbraw/zinc/07/59/17/528075917.db2.gz XZIAZAHSSQNMOH-QWHCGFSZSA-N -1 3 265.328 3.136 20 0 CGADHM CC(C)c1ccc(C(=O)N[C@H]2[C@@H]3CCC[C@@H]32)c([O-])c1 ZINC000436820322 528080059 /nfs/dbraw/zinc/08/00/59/528080059.db2.gz GUSZTTBCYVALNK-JYAVWHMHSA-N -1 3 259.349 3.044 20 0 CGADHM CC(C)Oc1cc(-c2nc(-c3ccc([O-])cc3)no2)ccn1 ZINC000436817984 528095747 /nfs/dbraw/zinc/09/57/47/528095747.db2.gz ZHVMDEGLESINAM-UHFFFAOYSA-N -1 3 297.314 3.291 20 0 CGADHM CC(C)c1cccc(CNC(=O)c2c([O-])cccc2O)c1 ZINC000436628546 528171206 /nfs/dbraw/zinc/17/12/06/528171206.db2.gz ZYYKWPQWQYOZJQ-UHFFFAOYSA-N -1 3 285.343 3.151 20 0 CGADHM CCOc1cccc(CNC(=O)c2ccc([O-])c(C)c2)c1 ZINC000436899484 528652231 /nfs/dbraw/zinc/65/22/31/528652231.db2.gz DGXUOIGWRGMYAA-UHFFFAOYSA-N -1 3 285.343 3.029 20 0 CGADHM CCOCCCCNC(=O)c1ccc(C(C)C)cc1[O-] ZINC000436580880 528655282 /nfs/dbraw/zinc/65/52/82/528655282.db2.gz YILVFTSVILCWRQ-UHFFFAOYSA-N -1 3 279.380 3.062 20 0 CGADHM CCCCOc1ccc(C(=O)N2CC[C@H](C)C2)c([O-])c1 ZINC000436979624 528660293 /nfs/dbraw/zinc/66/02/93/528660293.db2.gz ZLVIYFFOOITKPW-LBPRGKRZSA-N -1 3 277.364 3.053 20 0 CGADHM CCOc1cccc(NC(=O)c2ccc(C(C)=O)c([O-])c2)c1 ZINC000436605323 528672243 /nfs/dbraw/zinc/67/22/43/528672243.db2.gz OZOMZSNMEOLNNM-UHFFFAOYSA-N -1 3 299.326 3.246 20 0 CGADHM CCCc1csc(NC(=O)c2cc(OC)ccc2[O-])n1 ZINC000436625383 528678408 /nfs/dbraw/zinc/67/84/08/528678408.db2.gz LZIZQTYAZUPIHW-UHFFFAOYSA-N -1 3 292.360 3.062 20 0 CGADHM CCCc1nc(-c2noc(-c3ccccc3[O-])n2)co1 ZINC000436884363 528681763 /nfs/dbraw/zinc/68/17/63/528681763.db2.gz FYFJVBAPQRMSLY-UHFFFAOYSA-N -1 3 271.276 3.050 20 0 CGADHM CCCc1ncc(C(=O)Nc2ccccc2[O-])s1 ZINC000175083143 528765229 /nfs/dbraw/zinc/76/52/29/528765229.db2.gz UVGPCOOMFOMHGF-UHFFFAOYSA-N -1 3 262.334 3.054 20 0 CGADHM CCC1(CC)[C@@H](NC(=O)c2ccc([O-])c(C)c2)C[C@@H]1OC ZINC000436940220 529093080 /nfs/dbraw/zinc/09/30/80/529093080.db2.gz VDWQSLVHRVBWOO-GJZGRUSLSA-N -1 3 291.391 3.024 20 0 CGADHM CCN(C(=O)c1ccccc1[O-])[C@@H]1CCCC[C@H]1C ZINC000436752060 529093403 /nfs/dbraw/zinc/09/34/03/529093403.db2.gz WTAYKWNSGNYGRS-TZMCWYRMSA-N -1 3 261.365 3.433 20 0 CGADHM CC[C@H](C)n1ncc(C(=O)Nc2cc(F)ccc2[O-])c1C ZINC000358646154 529291250 /nfs/dbraw/zinc/29/12/50/529291250.db2.gz MKFZTYQTTYYIEJ-VIFPVBQESA-N -1 3 291.326 3.260 20 0 CGADHM CC[C@H]1COCCN1Cc1cc([O-])cc(C(F)(F)F)c1 ZINC000356091633 529308555 /nfs/dbraw/zinc/30/85/55/529308555.db2.gz SVQTWCIRYURIFC-LBPRGKRZSA-N -1 3 289.297 3.022 20 0 CGADHM CC1=C(C)CN(C(=O)CCCc2ccc([O-])c(F)c2)CC1 ZINC000482901075 535230301 /nfs/dbraw/zinc/23/03/01/535230301.db2.gz PBJCSUKALSFZLU-UHFFFAOYSA-N -1 3 291.366 3.423 20 0 CGADHM CC1(/C=C\C(=O)Nc2ccc(Cl)cc2[O-])CCOCC1 ZINC000493842757 535273579 /nfs/dbraw/zinc/27/35/79/535273579.db2.gz HXMSCNJMRRMVNC-PLNGDYQASA-N -1 3 295.766 3.357 20 0 CGADHM CC[C@@H](CC(C)C)C(=O)Nc1ccc(OC)cc1[O-] ZINC000451030782 571717833 /nfs/dbraw/zinc/71/78/33/571717833.db2.gz ZBNPOQKXWLWTJE-NSHDSACASA-N -1 3 265.353 3.412 20 0 CGADHM O=C([N-]CCCCCc1ccccc1)C(F)(F)F ZINC000727858970 571773433 /nfs/dbraw/zinc/77/34/33/571773433.db2.gz LXSHKAHZDAUDGG-UHFFFAOYSA-N -1 3 259.271 3.078 20 0 CGADHM O=C([O-])CC[C@H]1CCCN(c2ccnc3ccccc32)C1 ZINC000049842151 572328487 /nfs/dbraw/zinc/32/84/87/572328487.db2.gz CEHPEMLKOIZOEM-CYBMUJFWSA-N -1 3 284.359 3.316 20 0 CGADHM O=C(c1cc2occc2[n-]1)N1CCc2ccc(F)cc21 ZINC000750825724 572329377 /nfs/dbraw/zinc/32/93/77/572329377.db2.gz QBPIRTFVZBPWBN-UHFFFAOYSA-N -1 3 270.263 3.103 20 0 CGADHM Cc1cccc(C)c1OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737390697 572339345 /nfs/dbraw/zinc/33/93/45/572339345.db2.gz VMCRVTJXVSHXBE-UHFFFAOYSA-N -1 3 298.321 3.202 20 0 CGADHM Cc1cccc(C)c1OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737390697 572339348 /nfs/dbraw/zinc/33/93/48/572339348.db2.gz VMCRVTJXVSHXBE-UHFFFAOYSA-N -1 3 298.321 3.202 20 0 CGADHM C[C@@H]1CCCC[C@H]1NC(=S)NCc1ccc([O-])c(F)c1 ZINC000737461016 572345919 /nfs/dbraw/zinc/34/59/19/572345919.db2.gz HBJJDNAAJQKTJT-ZWNOBZJWSA-N -1 3 296.411 3.074 20 0 CGADHM c1ccc2c(c1)CCC[C@H]2Nc1ccc(-c2nnn[n-]2)cc1 ZINC000738443590 572376289 /nfs/dbraw/zinc/37/62/89/572376289.db2.gz YKJUFJBGHDFOOF-MRXNPFEDSA-N -1 3 291.358 3.356 20 0 CGADHM c1ccc2c(c1)CCC[C@H]2Nc1ccc(-c2nn[n-]n2)cc1 ZINC000738443590 572376293 /nfs/dbraw/zinc/37/62/93/572376293.db2.gz YKJUFJBGHDFOOF-MRXNPFEDSA-N -1 3 291.358 3.356 20 0 CGADHM C[C@@H](NC(=O)[O-])C1CCN([C@H](C)c2ccc(F)cc2)CC1 ZINC000739030232 572408322 /nfs/dbraw/zinc/40/83/22/572408322.db2.gz YREYUPITSANNKO-VXGBXAGGSA-N -1 3 294.370 3.255 20 0 CGADHM [O-]c1ccc(-c2noc(-c3cccc(Cl)n3)n2)cc1 ZINC000731790088 572426883 /nfs/dbraw/zinc/42/68/83/572426883.db2.gz LTHUXWALIRLNKT-UHFFFAOYSA-N -1 3 273.679 3.158 20 0 CGADHM O=C([O-])NCC1(NCc2cccc(Cl)c2)CCCC1 ZINC000740612718 572448077 /nfs/dbraw/zinc/44/80/77/572448077.db2.gz LIRIWYDNNIREQG-UHFFFAOYSA-N -1 3 282.771 3.010 20 0 CGADHM [O-]c1ccc(CNC[C@@H](O)c2ccc(F)cc2)cc1Cl ZINC000733324141 572555095 /nfs/dbraw/zinc/55/50/95/572555095.db2.gz JPMQVRGCUAKRJI-OAHLLOKOSA-N -1 3 295.741 3.008 20 0 CGADHM O=c1ccnc(C=Cc2ccc(Br)cc2)[n-]1 ZINC000742220932 572559242 /nfs/dbraw/zinc/55/92/42/572559242.db2.gz DNWJSRLJTOZNSH-ZZXKWVIFSA-N -1 3 277.121 3.115 20 0 CGADHM C[C@H](OC(=O)c1ccc(Cl)cc1[O-])c1cccnc1 ZINC000733383957 572562638 /nfs/dbraw/zinc/56/26/38/572562638.db2.gz PRJRKCOFMRKCEE-VIFPVBQESA-N -1 3 277.707 3.359 20 0 CGADHM O=C(O[C@@H]1C=CCCC1)c1ccc(Cl)cc1[O-] ZINC000733383246 572562709 /nfs/dbraw/zinc/56/27/09/572562709.db2.gz FPMWCVUBQDMGPC-SNVBAGLBSA-N -1 3 252.697 3.311 20 0 CGADHM O=C(OCCC1CCCC1)c1cc(-c2ccco2)n[n-]1 ZINC000726352993 572572627 /nfs/dbraw/zinc/57/26/27/572572627.db2.gz BYGAXRMRBSXAHT-UHFFFAOYSA-N -1 3 274.320 3.407 20 0 CGADHM O=C(OCCC1CCCC1)c1cc(-c2ccco2)[n-]n1 ZINC000726352993 572572631 /nfs/dbraw/zinc/57/26/31/572572631.db2.gz BYGAXRMRBSXAHT-UHFFFAOYSA-N -1 3 274.320 3.407 20 0 CGADHM C1=C[C@@H](Sc2ccc(-c3nnn[n-]3)cc2)CCC1 ZINC000735401149 572719422 /nfs/dbraw/zinc/71/94/22/572719422.db2.gz XYCZUASMDUBENO-LLVKDONJSA-N -1 3 258.350 3.068 20 0 CGADHM C1=C[C@@H](Sc2ccc(-c3nn[n-]n3)cc2)CCC1 ZINC000735401149 572719426 /nfs/dbraw/zinc/71/94/26/572719426.db2.gz XYCZUASMDUBENO-LLVKDONJSA-N -1 3 258.350 3.068 20 0 CGADHM CC(C)(C)CCCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000735604812 572732772 /nfs/dbraw/zinc/73/27/72/572732772.db2.gz ZCWFQKRBPWMCHN-UHFFFAOYSA-N -1 3 287.367 3.022 20 0 CGADHM CC(C)(C)CCCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000735604812 572732776 /nfs/dbraw/zinc/73/27/76/572732776.db2.gz ZCWFQKRBPWMCHN-UHFFFAOYSA-N -1 3 287.367 3.022 20 0 CGADHM CC(C)(C)CCN[C@H](C(=O)[O-])c1cc(F)ccc1F ZINC000736248478 572775419 /nfs/dbraw/zinc/77/54/19/572775419.db2.gz KCQFDVVWGBYRLN-LBPRGKRZSA-N -1 3 271.307 3.116 20 0 CGADHM CCCC[C@@H]1CCC[C@H]1Nc1ncccc1-c1nnn[n-]1 ZINC000736441514 572792081 /nfs/dbraw/zinc/79/20/81/572792081.db2.gz RGVLKSMSKSRNOS-DGCLKSJQSA-N -1 3 286.383 3.033 20 0 CGADHM CCCC[C@@H]1CCC[C@H]1Nc1ncccc1-c1nn[n-]n1 ZINC000736441514 572792086 /nfs/dbraw/zinc/79/20/86/572792086.db2.gz RGVLKSMSKSRNOS-DGCLKSJQSA-N -1 3 286.383 3.033 20 0 CGADHM CCCCCNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736451931 572794202 /nfs/dbraw/zinc/79/42/02/572794202.db2.gz RYBMGMSERHRKLY-UHFFFAOYSA-N -1 3 265.748 3.122 20 0 CGADHM CCCCCNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736451931 572794207 /nfs/dbraw/zinc/79/42/07/572794207.db2.gz RYBMGMSERHRKLY-UHFFFAOYSA-N -1 3 265.748 3.122 20 0 CGADHM CCCCCNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000736451547 572794218 /nfs/dbraw/zinc/79/42/18/572794218.db2.gz LPPZMTWHHFCQEL-UHFFFAOYSA-N -1 3 299.300 3.488 20 0 CGADHM CCCCCNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000736451547 572794223 /nfs/dbraw/zinc/79/42/23/572794223.db2.gz LPPZMTWHHFCQEL-UHFFFAOYSA-N -1 3 299.300 3.488 20 0 CGADHM C[C@@]1(NCc2occc2C(=O)[O-])CCCc2ccccc21 ZINC000736738267 572807318 /nfs/dbraw/zinc/80/73/18/572807318.db2.gz KSNLDRINPJXNPX-QGZVFWFLSA-N -1 3 285.343 3.319 20 0 CGADHM Cc1cccc(C)c1COc1ccc(-c2nnn[n-]2)cc1C ZINC000737222397 572865896 /nfs/dbraw/zinc/86/58/96/572865896.db2.gz XSKNERLIUUUYJE-UHFFFAOYSA-N -1 3 294.358 3.371 20 0 CGADHM Cc1cccc(C)c1COc1ccc(-c2nn[n-]n2)cc1C ZINC000737222397 572865899 /nfs/dbraw/zinc/86/58/99/572865899.db2.gz XSKNERLIUUUYJE-UHFFFAOYSA-N -1 3 294.358 3.371 20 0 CGADHM O=C([N-]c1cc(-c2ccccc2)ns1)C(F)(F)F ZINC000747518897 572934418 /nfs/dbraw/zinc/93/44/18/572934418.db2.gz REORYILVNXPPAD-UHFFFAOYSA-N -1 3 272.251 3.311 20 0 CGADHM CC(C)CCO[C@@H](C)C(=O)[N-]c1cc(C(F)(F)F)no1 ZINC000747986129 572957382 /nfs/dbraw/zinc/95/73/82/572957382.db2.gz LKCQQRMKIBUQQI-QMMMGPOBSA-N -1 3 294.273 3.083 20 0 CGADHM COCCO[N-]C(=O)CCCc1ccc(C(C)(C)C)cc1 ZINC000748776786 572983784 /nfs/dbraw/zinc/98/37/84/572983784.db2.gz NJHXPDWLTGFHIX-UHFFFAOYSA-N -1 3 293.407 3.001 20 0 CGADHM Cc1cc(C)c(C[N-]C(=O)C(F)(F)C(F)F)c(C)c1 ZINC000749341514 572992288 /nfs/dbraw/zinc/99/22/88/572992288.db2.gz GWKOQMRACUULDV-UHFFFAOYSA-N -1 3 277.261 3.128 20 0 CGADHM CC(C)CO[N-]C(=O)Nc1ccc2c(cnn2C(C)C)c1 ZINC000750313057 573110346 /nfs/dbraw/zinc/11/03/46/573110346.db2.gz HQBLIFRBOJKLLJ-UHFFFAOYSA-N -1 3 290.367 3.326 20 0 CGADHM CC[C@]1(C)CCCN(c2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000820950337 599089817 /nfs/dbraw/zinc/08/98/17/599089817.db2.gz MNAUWGCPRRXETI-OAHLLOKOSA-N -1 3 289.358 3.022 20 0 CGADHM c1cc(NCCCCC2CCCC2)ncc1-c1nnn[n-]1 ZINC000823757971 599094573 /nfs/dbraw/zinc/09/45/73/599094573.db2.gz YGJOXBONSJOTIE-UHFFFAOYSA-N -1 3 286.383 3.034 20 0 CGADHM c1cc(NCCCCC2CCCC2)ncc1-c1nn[n-]n1 ZINC000823757971 599094576 /nfs/dbraw/zinc/09/45/76/599094576.db2.gz YGJOXBONSJOTIE-UHFFFAOYSA-N -1 3 286.383 3.034 20 0 CGADHM CC(C)[C@H](C)SCCOc1ccccc1-c1nnn[n-]1 ZINC000820020943 599129683 /nfs/dbraw/zinc/12/96/83/599129683.db2.gz MZQUEWYMZYNUAT-NSHDSACASA-N -1 3 292.408 3.023 20 0 CGADHM CC(C)[C@H](C)SCCOc1ccccc1-c1nn[n-]n1 ZINC000820020943 599129684 /nfs/dbraw/zinc/12/96/84/599129684.db2.gz MZQUEWYMZYNUAT-NSHDSACASA-N -1 3 292.408 3.023 20 0 CGADHM C[C@@H](NCc1ccc(C(=O)[O-])cc1)c1ccsc1 ZINC000061362721 597244013 /nfs/dbraw/zinc/24/40/13/597244013.db2.gz OJGJQENCTGYUMX-SNVBAGLBSA-N -1 3 261.346 3.297 20 0 CGADHM O=C([O-])C[C@@H]1CCCN(Cc2cnc(C3CCC3)s2)C1 ZINC000821515618 598152168 /nfs/dbraw/zinc/15/21/68/598152168.db2.gz GWLUOIGTSAWATO-NSHDSACASA-N -1 3 294.420 3.097 20 0 CGADHM Clc1ccc(-c2nnn[n-]2)c(NCc2ccccc2)c1 ZINC000737570638 598628611 /nfs/dbraw/zinc/62/86/11/598628611.db2.gz JIYBVYVYYPLDIP-UHFFFAOYSA-N -1 3 285.738 3.132 20 0 CGADHM Clc1ccc(-c2nn[n-]n2)c(NCc2ccccc2)c1 ZINC000737570638 598628613 /nfs/dbraw/zinc/62/86/13/598628613.db2.gz JIYBVYVYYPLDIP-UHFFFAOYSA-N -1 3 285.738 3.132 20 0 CGADHM Cc1c(F)cccc1N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000822034383 599689886 /nfs/dbraw/zinc/68/98/86/599689886.db2.gz ASIIXWBMISJKLC-NSHDSACASA-N -1 3 297.337 3.487 20 0 CGADHM Cc1c(F)cccc1N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000822034383 599689887 /nfs/dbraw/zinc/68/98/87/599689887.db2.gz ASIIXWBMISJKLC-NSHDSACASA-N -1 3 297.337 3.487 20 0 CGADHM O=C([O-])c1cccc(CN2CCC[C@@H]2c2ccco2)c1 ZINC000263495077 600215452 /nfs/dbraw/zinc/21/54/52/600215452.db2.gz SOQQALRGIDGFFG-CQSZACIVSA-N -1 3 271.316 3.315 20 0 CGADHM CCCN(CC(=O)[O-])Cc1cc2ccccc2nc1Cl ZINC000184933091 600739899 /nfs/dbraw/zinc/73/98/99/600739899.db2.gz GARHIXWTYXGYOQ-UHFFFAOYSA-N -1 3 292.766 3.185 20 0 CGADHM Cc1cccc2c1CCN([C@H](C(=O)[O-])c1ccccc1F)C2 ZINC000832974933 600999230 /nfs/dbraw/zinc/99/92/30/600999230.db2.gz QTNYNFQPXBEWOT-KRWDZBQOSA-N -1 3 299.345 3.318 20 0 CGADHM CC(C)CCc1nc(CN[C@](C)(C(=O)[O-])C2CC2)cs1 ZINC000826861496 601037891 /nfs/dbraw/zinc/03/78/91/601037891.db2.gz VYICPDXBCIRKMZ-HNNXBMFYSA-N -1 3 296.436 3.075 20 0 CGADHM CC[C@@H]1c2ccsc2CCN1C/C=C(\C)C(=O)[O-] ZINC000829170095 601050601 /nfs/dbraw/zinc/05/06/01/601050601.db2.gz KDVNYQHRFFAJNR-LHJMJDNXSA-N -1 3 265.378 3.088 20 0 CGADHM Cc1sc(C(=O)[O-])cc1CN1CCC[C@H]1c1ccc[nH]1 ZINC000833032679 601619998 /nfs/dbraw/zinc/61/99/98/601619998.db2.gz LQLYSVCTOOPXJW-ZDUSSCGKSA-N -1 3 290.388 3.420 20 0 CGADHM Cc1[n-]n(-c2ccnc(C(F)(F)F)c2)c(=O)c1C(C)C ZINC000899353295 620650249 /nfs/dbraw/zinc/65/02/49/620650249.db2.gz MUCRZNNSPCNDLL-NSHDSACASA-N -1 3 285.269 3.095 20 0 CGADHM C[C@@H]1Cc2ccccc2CN1Cc1ccc(C(=O)[O-])s1 ZINC000828516980 601959636 /nfs/dbraw/zinc/95/96/36/601959636.db2.gz WDYXTFYUHDUWII-LLVKDONJSA-N -1 3 287.384 3.393 20 0 CGADHM CC(C)(NCc1ccc(C(=O)[O-])[nH]1)c1cccc(Cl)c1 ZINC000833460433 605117009 /nfs/dbraw/zinc/11/70/09/605117009.db2.gz CMJXTJCRIAXACF-UHFFFAOYSA-N -1 3 292.766 3.391 20 0 CGADHM CCc1oc(C(=O)[O-])cc1CN[C@H](C)c1ccccc1 ZINC000833680066 605125052 /nfs/dbraw/zinc/12/50/52/605125052.db2.gz CNYPIMLVHLPPGV-LLVKDONJSA-N -1 3 273.332 3.391 20 0 CGADHM c1ccc2nc(NCC3CCCC3)c(-c3nnn[n-]3)cc2c1 ZINC000823802711 606041173 /nfs/dbraw/zinc/04/11/73/606041173.db2.gz ZHICWIPCJZFUQC-UHFFFAOYSA-N -1 3 294.362 3.017 20 0 CGADHM c1ccc2nc(NCC3CCCC3)c(-c3nn[n-]n3)cc2c1 ZINC000823802711 606041177 /nfs/dbraw/zinc/04/11/77/606041177.db2.gz ZHICWIPCJZFUQC-UHFFFAOYSA-N -1 3 294.362 3.017 20 0 CGADHM CCC[C@@H]1C[C@H]1Nc1nc2ccccc2cc1-c1nnn[n-]1 ZINC000821039086 606420052 /nfs/dbraw/zinc/42/00/52/606420052.db2.gz ACOBOZKZTLHWNG-QMTHXVAHSA-N -1 3 294.362 3.015 20 0 CGADHM CCC[C@@H]1C[C@H]1Nc1nc2ccccc2cc1-c1nn[n-]n1 ZINC000821039086 606420054 /nfs/dbraw/zinc/42/00/54/606420054.db2.gz ACOBOZKZTLHWNG-QMTHXVAHSA-N -1 3 294.362 3.015 20 0 CGADHM CC[C@H](C)CSCc1ccccc1-c1nnn[n-]1 ZINC000820869288 606795815 /nfs/dbraw/zinc/79/58/15/606795815.db2.gz GIQRORNSYCWIKX-JTQLQIEISA-N -1 3 262.382 3.146 20 0 CGADHM CC[C@H](C)CSCc1ccccc1-c1nn[n-]n1 ZINC000820869288 606795817 /nfs/dbraw/zinc/79/58/17/606795817.db2.gz GIQRORNSYCWIKX-JTQLQIEISA-N -1 3 262.382 3.146 20 0 CGADHM Cc1cc(C)cc(NCc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000822196463 606927484 /nfs/dbraw/zinc/92/74/84/606927484.db2.gz KQCKJAFSQRDAER-UHFFFAOYSA-N -1 3 297.337 3.235 20 0 CGADHM Cc1cc(C)cc(NCc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000822196463 606927486 /nfs/dbraw/zinc/92/74/86/606927486.db2.gz KQCKJAFSQRDAER-UHFFFAOYSA-N -1 3 297.337 3.235 20 0 CGADHM CC[C@@H](Nc1ccc(-c2nn[n-]n2)cc1)c1c(C)noc1C ZINC000825148574 607936619 /nfs/dbraw/zinc/93/66/19/607936619.db2.gz RCSIXJPNWNSZDW-CYBMUJFWSA-N -1 3 298.350 3.035 20 0 CGADHM C[C@@H](Nc1ccc2cc(-c3nnn[n-]3)ccc2n1)C1CCC1 ZINC000824656213 608234335 /nfs/dbraw/zinc/23/43/35/608234335.db2.gz JBDBQZNXDVIHCG-SNVBAGLBSA-N -1 3 294.362 3.015 20 0 CGADHM C[C@@H](Nc1ccc2cc(-c3nn[n-]n3)ccc2n1)C1CCC1 ZINC000824656213 608234336 /nfs/dbraw/zinc/23/43/36/608234336.db2.gz JBDBQZNXDVIHCG-SNVBAGLBSA-N -1 3 294.362 3.015 20 0 CGADHM Clc1ccccc1NCc1cc(-c2nnn[n-]2)cs1 ZINC000826353508 608449974 /nfs/dbraw/zinc/44/99/74/608449974.db2.gz RXXHPKGMZQGLQX-UHFFFAOYSA-N -1 3 291.767 3.194 20 0 CGADHM Clc1ccccc1NCc1cc(-c2nn[n-]n2)cs1 ZINC000826353508 608449975 /nfs/dbraw/zinc/44/99/75/608449975.db2.gz RXXHPKGMZQGLQX-UHFFFAOYSA-N -1 3 291.767 3.194 20 0 CGADHM COc1ccccc1N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826220482 609156542 /nfs/dbraw/zinc/15/65/42/609156542.db2.gz PCNOTZDKTHRZIB-NSHDSACASA-N -1 3 295.346 3.048 20 0 CGADHM COc1ccccc1N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826220482 609156543 /nfs/dbraw/zinc/15/65/43/609156543.db2.gz PCNOTZDKTHRZIB-NSHDSACASA-N -1 3 295.346 3.048 20 0 CGADHM Cc1ccc(N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1F ZINC000826291790 609161171 /nfs/dbraw/zinc/16/11/71/609161171.db2.gz WHOXXMKTNBMPKT-NSHDSACASA-N -1 3 297.337 3.487 20 0 CGADHM Cc1ccc(N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1F ZINC000826291790 609161172 /nfs/dbraw/zinc/16/11/72/609161172.db2.gz WHOXXMKTNBMPKT-NSHDSACASA-N -1 3 297.337 3.487 20 0 CGADHM CCN(Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1 ZINC000825428427 609164579 /nfs/dbraw/zinc/16/45/79/609164579.db2.gz MNYHPBBJSKAPGU-UHFFFAOYSA-N -1 3 297.337 3.032 20 0 CGADHM CCN(Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1 ZINC000825428427 609164580 /nfs/dbraw/zinc/16/45/80/609164580.db2.gz MNYHPBBJSKAPGU-UHFFFAOYSA-N -1 3 297.337 3.032 20 0 CGADHM C[C@H](Nc1ccccc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000824662954 609247272 /nfs/dbraw/zinc/24/72/72/609247272.db2.gz TWTYVBUIHWJEEW-JTQLQIEISA-N -1 3 283.310 3.179 20 0 CGADHM C[C@H](Nc1ccccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000824662954 609247274 /nfs/dbraw/zinc/24/72/74/609247274.db2.gz TWTYVBUIHWJEEW-JTQLQIEISA-N -1 3 283.310 3.179 20 0 CGADHM Cc1cc(F)ccc1N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826268647 609267722 /nfs/dbraw/zinc/26/77/22/609267722.db2.gz HLMDIDWGFFRJDO-LLVKDONJSA-N -1 3 297.337 3.487 20 0 CGADHM Cc1cc(F)ccc1N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826268647 609267723 /nfs/dbraw/zinc/26/77/23/609267723.db2.gz HLMDIDWGFFRJDO-LLVKDONJSA-N -1 3 297.337 3.487 20 0 CGADHM O=C(CC/C=C\c1ccccc1)[N-]OC/C=C/Cl ZINC000812408660 617801516 /nfs/dbraw/zinc/80/15/16/617801516.db2.gz RQLKAYDOYUBQRU-AQPYURIMSA-N -1 3 265.740 3.280 20 0 CGADHM C[C@@H]1CC=CC[C@H]1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000890768059 617827352 /nfs/dbraw/zinc/82/73/52/617827352.db2.gz YRKGSXQSJUQPMF-IUODEOHRSA-N -1 3 291.366 3.325 20 0 CGADHM O=C([O-])C1(CCCCNCc2c(F)cccc2F)CCC1 ZINC000900078994 620756286 /nfs/dbraw/zinc/75/62/86/620756286.db2.gz JLLLSHLRZNCHLE-UHFFFAOYSA-N -1 3 297.345 3.480 20 0 CGADHM Cc1nc(NC[C@@H]2CCCO[C@H]2c2ccccc2)cc(=O)[n-]1 ZINC000891997564 618479989 /nfs/dbraw/zinc/47/99/89/618479989.db2.gz HOLWWCKTQFAKTM-YOEHRIQHSA-N -1 3 299.374 3.070 20 0 CGADHM O=C(OCC1CCC1)c1cccc2[n-]c(C(F)F)nc21 ZINC000924085569 618933910 /nfs/dbraw/zinc/93/39/10/618933910.db2.gz KMJBZLGDYMOQLV-UHFFFAOYSA-N -1 3 280.274 3.457 20 0 CGADHM CC(C)c1cc(C(=O)[N-]c2ncsc2C2CC2)on1 ZINC000893270156 619056338 /nfs/dbraw/zinc/05/63/38/619056338.db2.gz BXNPXLRZCCKIHO-UHFFFAOYSA-N -1 3 277.349 3.384 20 0 CGADHM C[C@H](CC(=O)Nc1cc(Cl)ccc1[O-])C1CC1 ZINC000049094142 619693970 /nfs/dbraw/zinc/69/39/70/619693970.db2.gz JBMZVXMFLOKINR-MRVPVSSYSA-N -1 3 253.729 3.420 20 0 CGADHM CC1(C)CO[C@@H](CC(=O)Nc2ccc(Cl)cc2[O-])C1 ZINC000897193094 620157315 /nfs/dbraw/zinc/15/73/15/620157315.db2.gz TXNRMMPRHHLMRA-JTQLQIEISA-N -1 3 283.755 3.189 20 0 CGADHM Cc1ccc(CN(C)Cc2cc(=O)oc3cc([O-])ccc23)o1 ZINC000007974843 620287461 /nfs/dbraw/zinc/28/74/61/620287461.db2.gz ANFNOXWLWWHISA-UHFFFAOYSA-N -1 3 299.326 3.032 20 0 CGADHM C[C@H](C(=O)[O-])N(C)Cc1cc(C(F)(F)F)ccc1Cl ZINC000263412993 620316699 /nfs/dbraw/zinc/31/66/99/620316699.db2.gz MCSJMUIYZNCENU-SSDOTTSWSA-N -1 3 295.688 3.264 20 0 CGADHM C[C@@H]1CC[C@H](C(=O)[O-])CN1Cc1cc(Cl)cs1 ZINC000263454796 620320742 /nfs/dbraw/zinc/32/07/42/620320742.db2.gz AMQYWFUWPVMHJE-BDAKNGLRSA-N -1 3 273.785 3.087 20 0 CGADHM Cc1cccc2[nH]c(CN3CCC4(C[C@@H]4C(=O)[O-])CC3)cc21 ZINC000901501443 620903100 /nfs/dbraw/zinc/90/31/00/620903100.db2.gz WKVNQVZYAOADPV-OAHLLOKOSA-N -1 3 298.386 3.163 20 0 CGADHM CSc1ccc(CN2CCC[C@@H](CCC(=O)[O-])C2)o1 ZINC000901551330 620935466 /nfs/dbraw/zinc/93/54/66/620935466.db2.gz FDLFZADDWUUGHA-NSHDSACASA-N -1 3 283.393 3.078 20 0 CGADHM CCC[C@H](C)CN1CCc2c(C(=O)[O-])ccc(OC)c2C1 ZINC000901551650 620936478 /nfs/dbraw/zinc/93/64/78/620936478.db2.gz IHLCNOQVMFPUOC-LBPRGKRZSA-N -1 3 291.391 3.188 20 0 CGADHM COC1(CN2Cc3ccc(C(=O)[O-])cc3C2)CCCCC1 ZINC000901648775 620962799 /nfs/dbraw/zinc/96/27/99/620962799.db2.gz TYEHKPYQOCWFMK-UHFFFAOYSA-N -1 3 289.375 3.050 20 0 CGADHM Cc1cc(CN[C@@H](CCC(=O)[O-])c2ccccc2)sn1 ZINC000901654270 620967725 /nfs/dbraw/zinc/96/77/25/620967725.db2.gz XZZAATZZYCFDSK-AWEZNQCLSA-N -1 3 290.388 3.147 20 0 CGADHM Cc1ccsc1CN(C)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000902006451 621096122 /nfs/dbraw/zinc/09/61/22/621096122.db2.gz YZJXVRFDNUBYJA-AWEZNQCLSA-N -1 3 289.400 3.184 20 0 CGADHM C[C@@H]1C[C@H](NCc2c(F)cccc2Cl)CC[C@@H]1C(=O)[O-] ZINC000902096248 621146939 /nfs/dbraw/zinc/14/69/39/621146939.db2.gz DOUMPQHREGPPCB-MXWKQRLJSA-N -1 3 299.773 3.458 20 0 CGADHM Cc1ccc(SCCNCc2cc(C(=O)[O-])co2)cc1 ZINC000902143459 621168618 /nfs/dbraw/zinc/16/86/18/621168618.db2.gz QCLSOZHZEHYTNY-UHFFFAOYSA-N -1 3 291.372 3.168 20 0 CGADHM CC[C@H](NCc1cccc(C(=O)[O-])n1)c1ccc(C)cc1 ZINC000902212580 621186750 /nfs/dbraw/zinc/18/67/50/621186750.db2.gz CANJEFOAJHKEAX-HNNXBMFYSA-N -1 3 284.359 3.329 20 0 CGADHM Cc1cccc(C(C)(C)NCc2ccoc2C(=O)[O-])c1 ZINC000902287038 621228012 /nfs/dbraw/zinc/22/80/12/621228012.db2.gz REGAPRBIHVNWTM-UHFFFAOYSA-N -1 3 273.332 3.311 20 0 CGADHM C[C@@H]1CCN(Cc2ccc(C(=O)[O-])c(Cl)c2)CCS1 ZINC000902407846 621293867 /nfs/dbraw/zinc/29/38/67/621293867.db2.gz ABKREIQBFMNRCB-SNVBAGLBSA-N -1 3 299.823 3.366 20 0 CGADHM CC(C)(C)C[C@@H]1C[C@H]1NCc1ccc(/C=C/C(=O)[O-])o1 ZINC000902463136 621336943 /nfs/dbraw/zinc/33/69/43/621336943.db2.gz MHPRTIMZFDZZAL-JUONBAAVSA-N -1 3 277.364 3.292 20 0 CGADHM C[C@@H](N[C@H](c1ncccn1)C1CC1)c1cccc([O-])c1F ZINC000903321836 621676698 /nfs/dbraw/zinc/67/66/98/621676698.db2.gz DVCXCXLDYYYQJD-BMIGLBTASA-N -1 3 287.338 3.123 20 0 CGADHM Cc1ccc(F)c(CN(CC(=O)[O-])C2CCCCC2)c1F ZINC000903600149 621769746 /nfs/dbraw/zinc/76/97/46/621769746.db2.gz DNFLXFPPYYXVGS-UHFFFAOYSA-N -1 3 297.345 3.493 20 0 CGADHM O=C([O-])[C@@H]1c2ccoc2CCN1CC[C@H]1CCCC1(F)F ZINC000903606578 621770777 /nfs/dbraw/zinc/77/07/77/621770777.db2.gz LCASMQWBIZRKII-MFKMUULPSA-N -1 3 299.317 3.089 20 0 CGADHM CC1(C)CN(Cc2ccc(C(=O)[O-])s2)[C@H]1C1CC1 ZINC000903689969 621786622 /nfs/dbraw/zinc/78/66/22/621786622.db2.gz QDNVSDGMFJSKKK-LBPRGKRZSA-N -1 3 265.378 3.067 20 0 CGADHM O=C([O-])c1cccc(CN[C@@H](c2ccccn2)C2CC2)c1 ZINC000903703548 621793326 /nfs/dbraw/zinc/79/33/26/621793326.db2.gz GBXLFQXKLZRBLE-MRXNPFEDSA-N -1 3 282.343 3.021 20 0 CGADHM O=C([O-])N[C@@H]1C[C@H](NCc2ccccc2Cl)C12CCC2 ZINC000904203368 621888901 /nfs/dbraw/zinc/88/89/01/621888901.db2.gz JVMGNKYKVUGXGP-QWHCGFSZSA-N -1 3 294.782 3.008 20 0 CGADHM COc1cc(C)ccc1CN[C@H](C(=O)[O-])c1cccc(C)c1 ZINC000904264518 621894362 /nfs/dbraw/zinc/89/43/62/621894362.db2.gz KGUXNLWFNQYDBF-KRWDZBQOSA-N -1 3 299.370 3.228 20 0 CGADHM [O-]c1ccc(Cc2nc(-c3ccc(F)cc3)no2)cc1F ZINC000904273929 621898920 /nfs/dbraw/zinc/89/89/20/621898920.db2.gz CUURQUICRDFGQS-UHFFFAOYSA-N -1 3 288.253 3.311 20 0 CGADHM CC[C@@H](C)C[C@H](N)c1nc(-c2ccc([O-])cc2F)no1 ZINC000904689144 621953802 /nfs/dbraw/zinc/95/38/02/621953802.db2.gz HFDYKKOKADRBCS-PELKAZGASA-N -1 3 279.315 3.017 20 0 CGADHM Cc1nc(C)c(C=Cc2cc(=O)[n-]c(C(C)(C)C)n2)o1 ZINC000905072430 622036232 /nfs/dbraw/zinc/03/62/32/622036232.db2.gz DYKLAEPFZMYGGL-SREVYHEPSA-N -1 3 273.336 3.255 20 0 CGADHM COc1ccc(C(=O)N2CC=CC23CCCCC3)c([O-])c1 ZINC000912478283 622666148 /nfs/dbraw/zinc/66/61/48/622666148.db2.gz OVSYOYBKHBGCKD-UHFFFAOYSA-N -1 3 287.359 3.116 20 0 CGADHM C[C@H](Cc1ccccc1Cl)[N-]C(=O)C(F)(F)C(F)F ZINC000226609918 622986298 /nfs/dbraw/zinc/98/62/98/622986298.db2.gz OIOIIHMEGCLYTO-SSDOTTSWSA-N -1 3 297.679 3.288 20 0 CGADHM CC(C)N(Cc1ccccc1)Cc1cccc(C(=O)[O-])n1 ZINC000232633628 623410660 /nfs/dbraw/zinc/41/06/60/623410660.db2.gz JWVMPWYVFMYRMF-UHFFFAOYSA-N -1 3 284.359 3.190 20 0 CGADHM Cc1cccc(C(=O)Nc2cnc(Cl)cc2C)c1[O-] ZINC000151674758 623556552 /nfs/dbraw/zinc/55/65/52/623556552.db2.gz NHPWXFALXPEBBS-UHFFFAOYSA-N -1 3 276.723 3.310 20 0 CGADHM CC(C)(C)c1cc(COC(=O)c2cc3occc3[n-]2)no1 ZINC000837681424 624033987 /nfs/dbraw/zinc/03/39/87/624033987.db2.gz JMLQGGRFNVCERA-UHFFFAOYSA-N -1 3 288.303 3.403 20 0 CGADHM O=C(C=C1CCCC1)Nc1cc(Cl)ccc1[O-] ZINC000243051894 624981800 /nfs/dbraw/zinc/98/18/00/624981800.db2.gz IFJIPFRFNZPNJR-UHFFFAOYSA-N -1 3 251.713 3.485 20 0 CGADHM Cc1ccc(C(=O)Nc2ccc(Cl)cc2[O-])c(O)c1O ZINC000182912733 625035648 /nfs/dbraw/zinc/03/56/48/625035648.db2.gz XULGYMHKSACZOJ-UHFFFAOYSA-N -1 3 293.706 3.018 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2cccc(N(C)C)c2C)c1 ZINC000182997437 625040133 /nfs/dbraw/zinc/04/01/33/625040133.db2.gz ZSLSVLSIAJFGIO-UHFFFAOYSA-N -1 3 284.359 3.327 20 0 CGADHM C[C@H]1CCC[C@@H]1CC(=O)[N-]OCc1ccc(F)cc1 ZINC000184793249 625270802 /nfs/dbraw/zinc/27/08/02/625270802.db2.gz UKUKRIZPZNFZQN-WCQYABFASA-N -1 3 265.328 3.200 20 0 CGADHM CCCCCC[C@@H](C)NC(=O)c1ccc(N)cc1[O-] ZINC000751047458 626376080 /nfs/dbraw/zinc/37/60/80/626376080.db2.gz QCRKOQOLENHPCQ-LLVKDONJSA-N -1 3 264.369 3.063 20 0 CGADHM CCCOc1ccccc1NC(=O)c1ccc(N)cc1[O-] ZINC000751486493 626392741 /nfs/dbraw/zinc/39/27/41/626392741.db2.gz WKFXNXQIHTYACJ-UHFFFAOYSA-N -1 3 286.331 3.016 20 0 CGADHM CC(C)OCCCOC(=O)c1cc(F)cc(Cl)c1[O-] ZINC000751732460 626402134 /nfs/dbraw/zinc/40/21/34/626402134.db2.gz UCYAOJJENRKNIV-UHFFFAOYSA-N -1 3 290.718 3.157 20 0 CGADHM C[C@H](OC(=O)c1cc(F)cc(Cl)c1[O-])c1cccnc1 ZINC000751733608 626402248 /nfs/dbraw/zinc/40/22/48/626402248.db2.gz DOIOVTUADHOQDE-QMMMGPOBSA-N -1 3 295.697 3.498 20 0 CGADHM COCCCCCOC(=O)c1cc(F)cc(Cl)c1[O-] ZINC000751732967 626402273 /nfs/dbraw/zinc/40/22/73/626402273.db2.gz WSZFTTBGXGVZLG-UHFFFAOYSA-N -1 3 290.718 3.158 20 0 CGADHM CC(C)C[C@H](NC(=O)c1ccc(N)cc1[O-])c1ccccc1 ZINC000753037248 626444278 /nfs/dbraw/zinc/44/42/78/626444278.db2.gz MOIJRXNHBZTAAP-INIZCTEOSA-N -1 3 298.386 3.492 20 0 CGADHM CCC(C)(C)CCOC(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000754282999 626566200 /nfs/dbraw/zinc/56/62/00/626566200.db2.gz YJZGZNKDDVBYDG-UHFFFAOYSA-N -1 3 296.363 3.393 20 0 CGADHM CC(C)Oc1cccc(CNCc2ccccc2C(=O)[O-])c1 ZINC000874042760 634508565 /nfs/dbraw/zinc/50/85/65/634508565.db2.gz FHWDQADTCXVSLH-UHFFFAOYSA-N -1 3 299.370 3.462 20 0 CGADHM CON(C(=O)c1ccc2c(c1[O-])CCCC2)C1CCCC1 ZINC000757640644 626797144 /nfs/dbraw/zinc/79/71/44/626797144.db2.gz SOJBEZAPVVITEO-UHFFFAOYSA-N -1 3 289.375 3.217 20 0 CGADHM Cc1oc2ccccc2c1C=Cc1nccc(=O)[n-]1 ZINC000759083183 626873497 /nfs/dbraw/zinc/87/34/97/626873497.db2.gz HVGSBHRARXTLRY-SREVYHEPSA-N -1 3 252.273 3.407 20 0 CGADHM COc1ccccc1CO[N-]C(=O)CCCc1ccccc1 ZINC000759636712 626910970 /nfs/dbraw/zinc/91/09/70/626910970.db2.gz MDOCTZMWBYZZSF-UHFFFAOYSA-N -1 3 299.370 3.266 20 0 CGADHM COc1cccc(-c2noc([N-][C@H](C)c3ccc[nH]3)n2)c1 ZINC000760271376 626952136 /nfs/dbraw/zinc/95/21/36/626952136.db2.gz ZEAMKHPFYDXSPP-SNVBAGLBSA-N -1 3 284.319 3.246 20 0 CGADHM CC(C)SCCNC(=O)c1cc2sccc2c([O-])c1 ZINC000805224944 627042831 /nfs/dbraw/zinc/04/28/31/627042831.db2.gz FUXHCQALTUAWST-UHFFFAOYSA-N -1 3 295.429 3.478 20 0 CGADHM Cc1cc(=O)[n-]c(CSCCC2CCCC2)n1 ZINC000763208227 627144550 /nfs/dbraw/zinc/14/45/50/627144550.db2.gz INESQJJSRDZIAD-UHFFFAOYSA-N -1 3 252.383 3.304 20 0 CGADHM CCc1ccc(CSCc2nc(C)cc(=O)[n-]2)cc1 ZINC000763208023 627145501 /nfs/dbraw/zinc/14/55/01/627145501.db2.gz GZNLANAWULVSPZ-UHFFFAOYSA-N -1 3 274.389 3.486 20 0 CGADHM CCCOc1cccc(C=Cc2nccc(=O)[n-]2)c1 ZINC000764436283 627207428 /nfs/dbraw/zinc/20/74/28/627207428.db2.gz RQFNVTVNFKBBKH-SREVYHEPSA-N -1 3 256.305 3.141 20 0 CGADHM COc1cc(C)sc1C(=O)[N-]c1nc(C(C)C)ns1 ZINC000874696003 634595262 /nfs/dbraw/zinc/59/52/62/634595262.db2.gz YESBIRIGRWMYDM-UHFFFAOYSA-N -1 3 297.405 3.292 20 0 CGADHM O=C(OCc1cccc(Cl)c1Cl)c1cncc([O-])c1 ZINC000773432601 627883990 /nfs/dbraw/zinc/88/39/90/627883990.db2.gz UMTCNYPWKPYZML-UHFFFAOYSA-N -1 3 298.125 3.451 20 0 CGADHM O=C(C[C@@H]1CCOc2ccccc21)[N-]Oc1ccccc1 ZINC000773460058 627886086 /nfs/dbraw/zinc/88/60/86/627886086.db2.gz FHIWUGAIMVALPB-ZDUSSCGKSA-N -1 3 283.327 3.053 20 0 CGADHM O=C(CCCc1cc(F)ccc1F)[N-]OC1CCCC1 ZINC000774865924 628043379 /nfs/dbraw/zinc/04/33/79/628043379.db2.gz JGSCVCLLVMOOCO-UHFFFAOYSA-N -1 3 283.318 3.278 20 0 CGADHM O=C(OCCOC1CCC1)c1cc2sccc2c([O-])c1 ZINC000805542428 628080427 /nfs/dbraw/zinc/08/04/27/628080427.db2.gz CMQZJWXMRIINAP-UHFFFAOYSA-N -1 3 292.356 3.333 20 0 CGADHM Cc1cc(C)cc(CCC(=O)[N-]OC2CCCC2)c1 ZINC000775604570 628113471 /nfs/dbraw/zinc/11/34/71/628113471.db2.gz KVSZEFGTUAWDHE-UHFFFAOYSA-N -1 3 261.365 3.226 20 0 CGADHM CSc1ccc([O-])c(C(=O)NC2(C)CC(F)(F)C2)c1 ZINC000874850877 634632650 /nfs/dbraw/zinc/63/26/50/634632650.db2.gz GRBJZTBGADXSKK-UHFFFAOYSA-N -1 3 287.331 3.032 20 0 CGADHM Cc1ccc(C=C2SC(=O)[N-]C2=O)c(Br)c1 ZINC000874927845 634653026 /nfs/dbraw/zinc/65/30/26/634653026.db2.gz HNULGDMKBNBXAQ-WEVVVXLNSA-N -1 3 298.161 3.081 20 0 CGADHM C[C@@H](OC(=O)c1cncc([O-])c1)c1cccc(Cl)c1F ZINC000783625226 628732864 /nfs/dbraw/zinc/73/28/64/628732864.db2.gz RJAYWRMWZCCDGY-MRVPVSSYSA-N -1 3 295.697 3.498 20 0 CGADHM O=C(CCCc1ccc([O-])c(F)c1)Nc1ccc(F)nc1 ZINC000787126356 628992408 /nfs/dbraw/zinc/99/24/08/628992408.db2.gz NZSXCHKLJDRGJG-UHFFFAOYSA-N -1 3 292.285 3.027 20 0 CGADHM CC(C)[C@H](C[N-]C(=O)C(F)(F)F)Cc1ccccc1 ZINC000787544225 629016179 /nfs/dbraw/zinc/01/61/79/629016179.db2.gz DOYMTIFKHCKSTI-LBPRGKRZSA-N -1 3 273.298 3.180 20 0 CGADHM CC(C)(C)C(=O)COC(=O)CCCc1ccc([O-])c(F)c1 ZINC000787847371 629032544 /nfs/dbraw/zinc/03/25/44/629032544.db2.gz DCMSUDSYULOSCP-UHFFFAOYSA-N -1 3 296.338 3.012 20 0 CGADHM O=C(Cc1cc(Cl)cc(Cl)c1)[N-]OCC1CCC1 ZINC000862232765 629326978 /nfs/dbraw/zinc/32/69/78/629326978.db2.gz IVCFDFLWDQWFLU-UHFFFAOYSA-N -1 3 288.174 3.384 20 0 CGADHM CCCCCC[C@@H](C)CC(=O)NCc1ncccc1[O-] ZINC000792610790 629371030 /nfs/dbraw/zinc/37/10/30/629371030.db2.gz RXIGNUZHXNQYEV-CYBMUJFWSA-N -1 3 278.396 3.400 20 0 CGADHM CCCCCC[C@@H](C)C(=O)NCc1ncccc1[O-] ZINC000792613501 629371218 /nfs/dbraw/zinc/37/12/18/629371218.db2.gz MYZPKKLDXIWCEW-GFCCVEGCSA-N -1 3 264.369 3.010 20 0 CGADHM CC(C)(C)c1ccc(C=Cc2nccc(=O)[n-]2)s1 ZINC000118944866 629381534 /nfs/dbraw/zinc/38/15/34/629381534.db2.gz RDPHQZVOINXLFX-FNORWQNLSA-N -1 3 260.362 3.299 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)CCC(=O)c1ccc(Cl)cc1 ZINC000794852866 629588490 /nfs/dbraw/zinc/58/84/90/629588490.db2.gz OTESOMSNGRHVNU-NSHDSACASA-N -1 3 297.782 3.397 20 0 CGADHM COc1ccccc1CO[N-]C(=O)C[C@H]1CCC[C@@H]1C ZINC000799092614 630141849 /nfs/dbraw/zinc/14/18/49/630141849.db2.gz XPOMHTJJMVLYHW-QWHCGFSZSA-N -1 3 277.364 3.069 20 0 CGADHM O=C(c1cc2sccc2c([O-])c1)N1CCC[C@H]2C[C@H]21 ZINC000804296000 630516922 /nfs/dbraw/zinc/51/69/22/630516922.db2.gz CDVYKQPCKKQOOD-JOYOIKCWSA-N -1 3 273.357 3.231 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2ccc(Cl)nc2Cl)n1 ZINC000806574141 630568557 /nfs/dbraw/zinc/56/85/57/630568557.db2.gz DTGLBMRVUVMRLG-HWKANZROSA-N -1 3 282.130 3.363 20 0 CGADHM CC(=O)c1cccc(NC(=O)C=Cc2ccccc2)c1[O-] ZINC000808188506 630630211 /nfs/dbraw/zinc/63/02/11/630630211.db2.gz YTMRIBUXQZUWMZ-ZHACJKMWSA-N -1 3 281.311 3.247 20 0 CGADHM COc1ccccc1CO[N-]C(=O)CC1(C)CCCC1 ZINC000808423512 630643526 /nfs/dbraw/zinc/64/35/26/630643526.db2.gz PLTBHNIYNAIWAK-UHFFFAOYSA-N -1 3 277.364 3.213 20 0 CGADHM CC(C)OCCOC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000810540655 630888454 /nfs/dbraw/zinc/88/84/54/630888454.db2.gz VHKPTCLKIMPPKS-UHFFFAOYSA-N -1 3 287.768 3.465 20 0 CGADHM C/C(=C/Cl)CSCc1cc(=O)[n-]c(C2CC2)n1 ZINC000840206732 630933163 /nfs/dbraw/zinc/93/31/63/630933163.db2.gz JDSCOWFWKVZOAC-YVMONPNESA-N -1 3 270.785 3.435 20 0 CGADHM CCC(C)(C)C(=O)COC(=O)c1cc2ccsc2[n-]1 ZINC000811047734 631012892 /nfs/dbraw/zinc/01/28/92/631012892.db2.gz OHXYSROHHINRJC-UHFFFAOYSA-N -1 3 279.361 3.392 20 0 CGADHM O=C(CCCc1ccc(Cl)cc1)[N-]OC/C=C/Cl ZINC000812399146 631243482 /nfs/dbraw/zinc/24/34/82/631243482.db2.gz IUFBCTLNUVRKDV-XNWCZRBMSA-N -1 3 288.174 3.463 20 0 CGADHM O=C(Cc1c(Cl)cccc1Cl)[N-]OC/C=C/Cl ZINC000812408609 631248756 /nfs/dbraw/zinc/24/87/56/631248756.db2.gz QJZRBNSFCRKCQT-GORDUTHDSA-N -1 3 294.565 3.336 20 0 CGADHM O=C(Cc1ccc(Cl)cc1Cl)[N-]OC1CCC1 ZINC000812795373 631313674 /nfs/dbraw/zinc/31/36/74/631313674.db2.gz UENKNHKPTZZJIE-UHFFFAOYSA-N -1 3 274.147 3.136 20 0 CGADHM Cc1ccc(-c2cc(C(=O)OCc3occc3C)n[n-]2)o1 ZINC000816102100 631881964 /nfs/dbraw/zinc/88/19/64/631881964.db2.gz USBUWBXSJVPZGA-UHFFFAOYSA-N -1 3 286.287 3.237 20 0 CGADHM Cc1ccc(-c2cc(C(=O)OCc3occc3C)[n-]n2)o1 ZINC000816102100 631881967 /nfs/dbraw/zinc/88/19/67/631881967.db2.gz USBUWBXSJVPZGA-UHFFFAOYSA-N -1 3 286.287 3.237 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)[C@@]1(C)CCc2ccccc2C1 ZINC000816980389 632068095 /nfs/dbraw/zinc/06/80/95/632068095.db2.gz KBGQBPJYEAZUTC-GUYCJALGSA-N -1 3 275.392 3.276 20 0 CGADHM Cc1ccoc1C[N-]C(=O)C(F)(F)c1ccc(F)cc1 ZINC000816983394 632070441 /nfs/dbraw/zinc/07/04/41/632070441.db2.gz WAWKTIVRFUYCNK-UHFFFAOYSA-N -1 3 283.249 3.135 20 0 CGADHM C[C@H](CCCc1ccccc1)C(=O)[N-]OCC1CC1 ZINC000817354386 632129740 /nfs/dbraw/zinc/12/97/40/632129740.db2.gz KXXCKDOXLVHNHM-CYBMUJFWSA-N -1 3 261.365 3.103 20 0 CGADHM O=C(CCc1ccc(Cl)cc1)[N-]OCCC1CC1 ZINC000817421040 632148058 /nfs/dbraw/zinc/14/80/58/632148058.db2.gz KSYNBFGBHXDTCA-UHFFFAOYSA-N -1 3 267.756 3.121 20 0 CGADHM CN(C(=O)c1ccc(N)cc1[O-])[C@H]1CCCc2ccccc21 ZINC000817909061 632234154 /nfs/dbraw/zinc/23/41/54/632234154.db2.gz WYHKPOOTELOSOM-INIZCTEOSA-N -1 3 296.370 3.124 20 0 CGADHM Cc1cc(C)c2c(c1)N(C(=O)c1ccc(N)cc1[O-])CCC2 ZINC000817933351 632236643 /nfs/dbraw/zinc/23/66/43/632236643.db2.gz BFFGJYHCZHENKQ-UHFFFAOYSA-N -1 3 296.370 3.184 20 0 CGADHM CCCO[N-]C(=O)CCCCOc1cc(C)ccc1C ZINC000844083593 635817105 /nfs/dbraw/zinc/81/71/05/635817105.db2.gz PKGOLTWQCUJITF-UHFFFAOYSA-N -1 3 279.380 3.310 20 0 CGADHM CCC[C@H](C)[C@@H]1CCCN1C(=O)c1ccc(N)cc1[O-] ZINC000817999203 632276066 /nfs/dbraw/zinc/27/60/66/632276066.db2.gz OZQGLSXWZFQHTQ-FZMZJTMJSA-N -1 3 276.380 3.015 20 0 CGADHM COc1ccc([C@H](C)CC(=O)[N-]Oc2ccccc2)cc1 ZINC000820049357 632566197 /nfs/dbraw/zinc/56/61/97/632566197.db2.gz TWTXUYLKDUGDEW-CYBMUJFWSA-N -1 3 285.343 3.299 20 0 CGADHM [O-]c1ccc(CN[C@H]2c3ccccc3OC[C@H]2F)cc1F ZINC000866268796 633054397 /nfs/dbraw/zinc/05/43/97/633054397.db2.gz HBOVTNOLFDNGRQ-CJNGLKHVSA-N -1 3 291.297 3.093 20 0 CGADHM CC[C@@H](Nc1cnccc1-c1nnn[n-]1)C1CCCCC1 ZINC000825148071 633332246 /nfs/dbraw/zinc/33/22/46/633332246.db2.gz NSXBLPKZCKJXBH-CYBMUJFWSA-N -1 3 286.383 3.033 20 0 CGADHM CC[C@@H](Nc1cnccc1-c1nn[n-]n1)C1CCCCC1 ZINC000825148071 633332250 /nfs/dbraw/zinc/33/22/50/633332250.db2.gz NSXBLPKZCKJXBH-CYBMUJFWSA-N -1 3 286.383 3.033 20 0 CGADHM O=C(c1cc([O-])c2ccccc2c1)N1CC[C@H]1C(F)F ZINC000868606152 633341553 /nfs/dbraw/zinc/34/15/53/633341553.db2.gz OLFMVGHRFLYNKU-LBPRGKRZSA-N -1 3 277.270 3.025 20 0 CGADHM Fc1ccc(SCc2ccccc2-c2nnn[n-]2)cc1 ZINC000826375891 633408559 /nfs/dbraw/zinc/40/85/59/633408559.db2.gz GDFBNRUTYIYLIW-UHFFFAOYSA-N -1 3 286.335 3.298 20 0 CGADHM Fc1ccc(SCc2ccccc2-c2nn[n-]n2)cc1 ZINC000826375891 633408564 /nfs/dbraw/zinc/40/85/64/633408564.db2.gz GDFBNRUTYIYLIW-UHFFFAOYSA-N -1 3 286.335 3.298 20 0 CGADHM C[C@H](NC(=O)Cc1ccc([O-])c(F)c1)[C@@]12C[C@@H]1CCCC2 ZINC000870528830 633598128 /nfs/dbraw/zinc/59/81/28/633598128.db2.gz LYEFWLOEIPQAHB-PLQHRBFRSA-N -1 3 291.366 3.159 20 0 CGADHM CC(C)(C)[C@@H]1C[C@H]1C(=O)Nc1cccc([O-])c1F ZINC000867059029 633669437 /nfs/dbraw/zinc/66/94/37/633669437.db2.gz MXHYTBYDXJYIPN-RKDXNWHRSA-N -1 3 251.301 3.152 20 0 CGADHM O=C([N-]CCc1cccc2ccccc21)C(F)(F)F ZINC000000016873 633692314 /nfs/dbraw/zinc/69/23/14/633692314.db2.gz OVWHKSKKZKRKOQ-UHFFFAOYSA-N -1 3 267.250 3.061 20 0 CGADHM C[C@@H]1CCC[C@]1(C)C(=O)[N-]OCc1ccc(F)cc1 ZINC000829219121 633714164 /nfs/dbraw/zinc/71/41/64/633714164.db2.gz MPHWRRSXEAZWAW-ABAIWWIYSA-N -1 3 265.328 3.200 20 0 CGADHM CCN(C/C=C(\C)C(=O)[O-])Cc1ccc(Cl)s1 ZINC000829693133 633766416 /nfs/dbraw/zinc/76/64/16/633766416.db2.gz WGTBSPKRUSVIPD-RMKNXTFCSA-N -1 3 273.785 3.254 20 0 CGADHM COc1ccc(C)cc1CN[C@H](C(=O)[O-])c1ccccc1C ZINC000871882600 633910631 /nfs/dbraw/zinc/91/06/31/633910631.db2.gz NORIEKHYRGDIME-KRWDZBQOSA-N -1 3 299.370 3.228 20 0 CGADHM Cc1cc(CN[C@@H](C)c2cccc([O-])c2F)ccn1 ZINC000872074545 633997282 /nfs/dbraw/zinc/99/72/82/633997282.db2.gz FZNIJTIEVXSAIM-NSHDSACASA-N -1 3 260.312 3.086 20 0 CGADHM Cc1cc(CN[C@@H](C)c2cccc([O-])c2F)cc(C)n1 ZINC000872081528 634006877 /nfs/dbraw/zinc/00/68/77/634006877.db2.gz ZBWUTCQELAYUSW-LBPRGKRZSA-N -1 3 274.339 3.394 20 0 CGADHM CCc1nc(C)cc(NCc2ccc([O-])c(Cl)c2)n1 ZINC000872726051 634197175 /nfs/dbraw/zinc/19/71/75/634197175.db2.gz KMCZMJWPBPCGOD-UHFFFAOYSA-N -1 3 277.755 3.319 20 0 CGADHM CCc1onc(C)c1[N-]C(=O)c1cnc(CC2CC2)s1 ZINC000879316851 635755322 /nfs/dbraw/zinc/75/53/22/635755322.db2.gz XGTIWFIUOGUIEL-UHFFFAOYSA-N -1 3 291.376 3.207 20 0 CGADHM CSCCO[N-]C(=O)C[C@H](C)CCC=C(C)C ZINC000843875659 635791101 /nfs/dbraw/zinc/79/11/01/635791101.db2.gz NRTKOLVIRKUVJZ-GFCCVEGCSA-N -1 3 259.415 3.170 20 0 CGADHM CCCO[N-]C(=O)C[C@H](C)Cc1ccc(Cl)cc1 ZINC000844086240 635818071 /nfs/dbraw/zinc/81/80/71/635818071.db2.gz WDAMDMVAMFQHIQ-LLVKDONJSA-N -1 3 269.772 3.367 20 0 CGADHM O=C(CC[C@@H]1CCc2ccccc21)[N-]OC/C=C\Cl ZINC000880061302 635906430 /nfs/dbraw/zinc/90/64/30/635906430.db2.gz ZXLXTDITWPLNQA-JUSXSOTRSA-N -1 3 279.767 3.297 20 0 CGADHM CC/C=C(/C)C(=O)Nc1ccc(Br)cc1[O-] ZINC000128658772 636054499 /nfs/dbraw/zinc/05/44/99/636054499.db2.gz AMUPHZINKAXALF-YWEYNIOJSA-N -1 3 284.153 3.450 20 0 CGADHM Cc1cccc(Cl)c1NC([O-])=NO[C@@H]1CCCCO1 ZINC000128999358 636107975 /nfs/dbraw/zinc/10/79/75/636107975.db2.gz BVQUBGHRVAWJSQ-LLVKDONJSA-N -1 3 284.743 3.228 20 0 CGADHM Cc1cccc(Cl)c1NC(=O)[N-]O[C@@H]1CCCCO1 ZINC000128999358 636107977 /nfs/dbraw/zinc/10/79/77/636107977.db2.gz BVQUBGHRVAWJSQ-LLVKDONJSA-N -1 3 284.743 3.228 20 0 CGADHM CCCCOc1ccc(C(=O)N2CC[C@H](CF)C2)c([O-])c1 ZINC000881672673 636185893 /nfs/dbraw/zinc/18/58/93/636185893.db2.gz DGBLNNKPQQAQAG-GFCCVEGCSA-N -1 3 295.354 3.003 20 0 CGADHM Cc1cccc(C(=O)Nc2cccc(-c3cn[nH]c3)c2)c1[O-] ZINC000129335542 636219016 /nfs/dbraw/zinc/21/90/16/636219016.db2.gz CHEIWAIWDXDHKH-UHFFFAOYSA-N -1 3 293.326 3.343 20 0 CGADHM CC[C@]1(C(=O)[O-])CCCN(Cc2ccc(F)c(F)c2)C1 ZINC000086784310 636785384 /nfs/dbraw/zinc/78/53/84/636785384.db2.gz RPBZTOMWXAJXAI-HNNXBMFYSA-N -1 3 283.318 3.042 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)OC[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000849796458 636878026 /nfs/dbraw/zinc/87/80/26/636878026.db2.gz WSOQQUCZXLKWOV-FRRDWIJNSA-N -1 3 278.323 3.053 20 0 CGADHM O=C([O-])C1=CC[C@H](NCc2csc(Cl)c2Cl)C1 ZINC000853038281 637741830 /nfs/dbraw/zinc/74/18/30/637741830.db2.gz SKSNAGJFDUOEJN-QMMMGPOBSA-N -1 3 292.187 3.318 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)CC[C@@H]1CC1(Cl)Cl ZINC000854603315 638076922 /nfs/dbraw/zinc/07/69/22/638076922.db2.gz VYECWNLSHFPONN-DTWKUNHWSA-N -1 3 268.184 3.054 20 0 CGADHM O=C(C[C@@H]1CCCc2ccccc21)[N-]OCC1CCC1 ZINC000856346939 638347164 /nfs/dbraw/zinc/34/71/64/638347164.db2.gz AHEUFBVFMRFUHM-HNNXBMFYSA-N -1 3 273.376 3.345 20 0 CGADHM O=C(Cc1c[nH]c2cc(Cl)ccc12)[N-]OCC1CCC1 ZINC000856347465 638347405 /nfs/dbraw/zinc/34/74/05/638347405.db2.gz SWKBCXUAHVURFM-UHFFFAOYSA-N -1 3 292.766 3.212 20 0 CGADHM O=C(CCCc1ccc(F)c(F)c1)[N-]OCC1CCC1 ZINC000856348068 638348449 /nfs/dbraw/zinc/34/84/49/638348449.db2.gz NTIDJYBFWXFYOW-UHFFFAOYSA-N -1 3 283.318 3.135 20 0 CGADHM Cc1ccc(CCCC(=O)[N-]OCC2CCC2)s1 ZINC000856348351 638348745 /nfs/dbraw/zinc/34/87/45/638348745.db2.gz WOJOVCXXTVAGAH-UHFFFAOYSA-N -1 3 267.394 3.227 20 0 CGADHM Cc1csc(CN[C@@H](C)c2cc([O-])cc(F)c2)n1 ZINC000924613160 638377249 /nfs/dbraw/zinc/37/72/49/638377249.db2.gz DIMKJTHIWBVHQN-VIFPVBQESA-N -1 3 266.341 3.147 20 0 CGADHM Cc1cc(F)cc(NC(=O)c2[n-]cnc2C(F)(F)F)c1 ZINC000857474720 638508893 /nfs/dbraw/zinc/50/88/93/638508893.db2.gz NXPLOGOKPIFRFI-UHFFFAOYSA-N -1 3 287.216 3.128 20 0 CGADHM Cc1cc(F)cc(NC(=O)c2nc[n-]c2C(F)(F)F)c1 ZINC000857474720 638508903 /nfs/dbraw/zinc/50/89/03/638508903.db2.gz NXPLOGOKPIFRFI-UHFFFAOYSA-N -1 3 287.216 3.128 20 0 CGADHM [O-]c1ccccc1-c1ncccc1N1CCCCC1 ZINC000857833506 638574116 /nfs/dbraw/zinc/57/41/16/638574116.db2.gz WLMUMOOIXBVBSF-UHFFFAOYSA-N -1 3 254.333 3.445 20 0 CGADHM COc1ccc([O-])c(C(=O)Nc2c(C)noc2C(C)C)c1 ZINC000928788424 638892263 /nfs/dbraw/zinc/89/22/63/638892263.db2.gz FEGWUFDDEUWGAP-UHFFFAOYSA-N -1 3 290.319 3.073 20 0 CGADHM CCC(CC)c1nnc([N-]C(=O)c2coc(C=O)c2)s1 ZINC000930419576 638996841 /nfs/dbraw/zinc/99/68/41/638996841.db2.gz IBHQMMPRBBLJBI-UHFFFAOYSA-N -1 3 293.348 3.100 20 0 CGADHM COC1(C(=O)Nc2cccc([O-])c2F)CCCCCC1 ZINC000935135803 639753427 /nfs/dbraw/zinc/75/34/27/639753427.db2.gz XANPZHPSTUDPDX-UHFFFAOYSA-N -1 3 281.327 3.209 20 0 CGADHM C[C@@H](CN(C)Cc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000042705367 639920230 /nfs/dbraw/zinc/92/02/30/639920230.db2.gz NHSSFXOBNQOLLY-QMMMGPOBSA-N -1 3 276.163 3.146 20 0 CGADHM Cc1cc2cc(NC([O-])=NO[C@H]3CCCCO3)ccc2[nH]1 ZINC000159647076 640058408 /nfs/dbraw/zinc/05/84/08/640058408.db2.gz TWPOPBWMHHXKPH-AWEZNQCLSA-N -1 3 289.335 3.056 20 0 CGADHM Cc1cc2cc(NC(=O)[N-]O[C@H]3CCCCO3)ccc2[nH]1 ZINC000159647076 640058414 /nfs/dbraw/zinc/05/84/14/640058414.db2.gz TWPOPBWMHHXKPH-AWEZNQCLSA-N -1 3 289.335 3.056 20 0 CGADHM Cc1ccc(C(=O)N(C)Cc2ccc(Cl)nc2)c([O-])c1 ZINC000075816613 640155103 /nfs/dbraw/zinc/15/51/03/640155103.db2.gz JLHLXFURQOSCAF-UHFFFAOYSA-N -1 3 290.750 3.021 20 0 CGADHM COc1cnccc1[C@H](C)NCc1cccc(Cl)c1[O-] ZINC000189010376 640163289 /nfs/dbraw/zinc/16/32/89/640163289.db2.gz XFMNEYYHMONFSY-JTQLQIEISA-N -1 3 292.766 3.300 20 0 CGADHM O=C(C[C@H]1C=CCCC1)[N-]OCc1ccc(F)cc1 ZINC000189237070 640178583 /nfs/dbraw/zinc/17/85/83/640178583.db2.gz UAALJOSVWRKWNL-LBPRGKRZSA-N -1 3 263.312 3.120 20 0 CGADHM COC(=O)c1ccc(/C=C/C(=O)c2ccc([O-])c(C)c2)cc1 ZINC000077166036 640227285 /nfs/dbraw/zinc/22/72/85/640227285.db2.gz RXSSIFLLTIMYKB-WEVVVXLNSA-N -1 3 296.322 3.383 20 0 CGADHM N#Cc1cccc(CNCc2c([O-])ccc(Cl)c2F)c1 ZINC000190749900 640264490 /nfs/dbraw/zinc/26/44/90/640264490.db2.gz FNSJDEZWMCJBGD-UHFFFAOYSA-N -1 3 290.725 3.346 20 0 CGADHM CN(Cc1nccs1)Cc1c([O-])ccc2ccncc21 ZINC000080584230 640492895 /nfs/dbraw/zinc/49/28/95/640492895.db2.gz GHWQAAJGUXOMIS-UHFFFAOYSA-N -1 3 285.372 3.029 20 0 CGADHM O=C1[N-]C(=O)/C(=C\c2cc(Cl)cs2)c2ccccc21 ZINC000195335580 640578263 /nfs/dbraw/zinc/57/82/63/640578263.db2.gz SMPSUUSXZGNXNI-SDQBBNPISA-N -1 3 289.743 3.212 20 0 CGADHM COc1ccc(C(=O)NCc2cscc2Cl)c([O-])c1 ZINC001155555299 805591032 /nfs/dbraw/zinc/59/10/32/805591032.db2.gz NWUGDLPLHCFAOD-UHFFFAOYSA-N -1 3 297.763 3.046 20 0 CGADHM [O-]c1ccc(Cl)cc1-c1nc2cc3c(cc2[nH]1)OCO3 ZINC001250458056 805629485 /nfs/dbraw/zinc/62/94/85/805629485.db2.gz KFQXKMAHVXPTAW-UHFFFAOYSA-N -1 3 288.690 3.318 20 0 CGADHM [O-]c1c(F)cccc1-c1nc2cc3c(cc2[nH]1)OCC3 ZINC001250684065 805754873 /nfs/dbraw/zinc/75/48/73/805754873.db2.gz XSLOSQDNANXDBE-UHFFFAOYSA-N -1 3 270.263 3.010 20 0 CGADHM CC(=O)Nc1ccc2[nH]c(-c3cc(F)ccc3[O-])nc2c1 ZINC001250838253 805786388 /nfs/dbraw/zinc/78/63/88/805786388.db2.gz WIYFMCXOZDXIBN-UHFFFAOYSA-N -1 3 285.278 3.033 20 0 CGADHM [O-]c1ccc(-c2nc3cc4c(cc3[nH]2)OCC4)c(F)c1F ZINC001250912681 805796959 /nfs/dbraw/zinc/79/69/59/805796959.db2.gz JACGTZILUVXBEA-UHFFFAOYSA-N -1 3 288.253 3.149 20 0 CGADHM [O-]c1c(F)cc(-c2nc3cc4c(cc3[nH]2)OCC4)cc1F ZINC001250923986 805800924 /nfs/dbraw/zinc/80/09/24/805800924.db2.gz HNJIWWBVFWUZIS-UHFFFAOYSA-N -1 3 288.253 3.149 20 0 CGADHM Fc1cc2[n-]c(-c3ncco3)nc2c(F)c1Cl ZINC001250924432 805801465 /nfs/dbraw/zinc/80/14/65/805801465.db2.gz STHBSLUPJSHSAL-UHFFFAOYSA-N -1 3 255.611 3.150 20 0 CGADHM [O-]c1cccc(NC[C@H](O)c2ccccc2)c1Cl ZINC001251997668 805968578 /nfs/dbraw/zinc/96/85/78/805968578.db2.gz ICMHCGRPFDVIDS-ZDUSSCGKSA-N -1 3 263.724 3.191 20 0 CGADHM [O-]c1cccnc1CNc1cc2ccc(F)cc2cn1 ZINC001158774432 806001419 /nfs/dbraw/zinc/00/14/19/806001419.db2.gz OBAPUHZEWUBZKB-UHFFFAOYSA-N -1 3 269.279 3.087 20 0 CGADHM CCc1cccc(C(=O)Nc2cccc(C3CC3)n2)c1[O-] ZINC001159036199 806035276 /nfs/dbraw/zinc/03/52/76/806035276.db2.gz BRWBAYOBDTYRRY-UHFFFAOYSA-N -1 3 282.343 3.479 20 0 CGADHM CCOc1ccc(Nc2ccc(Cl)c([O-])c2)c(N)n1 ZINC001159415323 806097071 /nfs/dbraw/zinc/09/70/71/806097071.db2.gz OEGQEZHJKPTESF-UHFFFAOYSA-N -1 3 279.727 3.165 20 0 CGADHM c1cc2c(cccc2Nc2ccc(-c3nn[n-]n3)cc2)[nH]1 ZINC001159933259 806202140 /nfs/dbraw/zinc/20/21/40/806202140.db2.gz SMXKVGTUFDGMIS-UHFFFAOYSA-N -1 3 276.303 3.092 20 0 CGADHM Cc1cccc(-c2nnc(-c3nc(C)ccc3[O-])o2)c1 ZINC001253696984 806281313 /nfs/dbraw/zinc/28/13/13/806281313.db2.gz WLCMUHZSXFRYFI-UHFFFAOYSA-N -1 3 267.288 3.121 20 0 CGADHM CCCc1nnc(-c2cc(O)c3ccccc3c2[O-])o1 ZINC001253945059 806322495 /nfs/dbraw/zinc/32/24/95/806322495.db2.gz YNGJOVHULGPZIN-UHFFFAOYSA-N -1 3 270.288 3.254 20 0 CGADHM [O-]c1cc2c(O)cccc2cc1-c1nnc(C2CC2)o1 ZINC001254053946 806334952 /nfs/dbraw/zinc/33/49/52/806334952.db2.gz BWJYLXBXVISRGY-UHFFFAOYSA-N -1 3 268.272 3.178 20 0 CGADHM C[C@@H]1CCCC[C@H]1CNc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001162530761 806614190 /nfs/dbraw/zinc/61/41/90/806614190.db2.gz OJINSINAAYPHTO-MNOVXSKESA-N -1 3 289.358 3.244 20 0 CGADHM C[C@@H]1CCCC[C@H]1CNc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001162530761 806614192 /nfs/dbraw/zinc/61/41/92/806614192.db2.gz OJINSINAAYPHTO-MNOVXSKESA-N -1 3 289.358 3.244 20 0 CGADHM CC(C)(C)O[N-]C(=O)CCCOc1ccc(Cl)cc1 ZINC000126209682 799006156 /nfs/dbraw/zinc/00/61/56/799006156.db2.gz LXZZHKMOKIRPBY-UHFFFAOYSA-N -1 3 285.771 3.345 20 0 CGADHM C[C@@H]1C[C@H](C(=O)[O-])CCN1Cc1ccc(Cl)s1 ZINC000235360384 799144373 /nfs/dbraw/zinc/14/43/73/799144373.db2.gz TVKSSRNLICRVQR-RKDXNWHRSA-N -1 3 273.785 3.087 20 0 CGADHM CCCCC[C@H](C)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC000315296451 799235427 /nfs/dbraw/zinc/23/54/27/799235427.db2.gz IHGGBNUJIFHKHF-UWVGGRQHSA-N -1 3 270.398 3.461 20 0 CGADHM O=C(Cc1ccc(Cl)cn1)Nc1ccc(Cl)cc1[O-] ZINC000339959550 799284474 /nfs/dbraw/zinc/28/44/74/799284474.db2.gz INBXZUUIRZZWRR-UHFFFAOYSA-N -1 3 297.141 3.275 20 0 CGADHM [O-]c1cnccc1-c1nc2cc(F)c(Cl)cc2[nH]1 ZINC000386498474 799437082 /nfs/dbraw/zinc/43/70/82/799437082.db2.gz KXCXWZHBZRHFNV-UHFFFAOYSA-N -1 3 263.659 3.123 20 0 CGADHM Cc1ccc(CN2CCC3(C[C@H]3C(=O)[O-])CC2)cc1Cl ZINC000405320097 799582490 /nfs/dbraw/zinc/58/24/90/799582490.db2.gz NUPMIVYOPVMMSK-ZDUSSCGKSA-N -1 3 293.794 3.335 20 0 CGADHM CC(C)c1nn(C)cc1[N-]c1cc(C#N)sc1[N+](=O)[O-] ZINC000407164489 799589050 /nfs/dbraw/zinc/58/90/50/799589050.db2.gz SCGZAYHDCVOPPQ-UHFFFAOYSA-N -1 3 291.336 3.128 20 0 CGADHM CCc1ccc(C(=O)N[C@@H](COC)CC(C)(C)C)c([O-])c1 ZINC001163608025 806792093 /nfs/dbraw/zinc/79/20/93/806792093.db2.gz QWOHTKILYJFRHE-CYBMUJFWSA-N -1 3 293.407 3.136 20 0 CGADHM C[C@@H](CC1CCC1)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC000710270398 800031637 /nfs/dbraw/zinc/03/16/37/800031637.db2.gz FQMDOLWSHZGWJQ-IUCAKERBSA-N -1 3 268.382 3.071 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CCC[C@H]1c1nccs1 ZINC000710460789 800035181 /nfs/dbraw/zinc/03/51/81/800035181.db2.gz WGOPHJADWMYSPH-NSHDSACASA-N -1 3 288.372 3.134 20 0 CGADHM Cc1ncccc1-c1cc(C(F)(F)F)[n-]c(=S)n1 ZINC000715227393 800132796 /nfs/dbraw/zinc/13/27/96/800132796.db2.gz ZOXJTBBEOZOPCZ-UHFFFAOYSA-N -1 3 271.267 3.155 20 0 CGADHM Cc1ccnc(-c2cc([O-])cc(C(F)(F)F)c2)n1 ZINC000715768832 800146912 /nfs/dbraw/zinc/14/69/12/800146912.db2.gz ATTBEFBONUFNQW-UHFFFAOYSA-N -1 3 254.211 3.176 20 0 CGADHM C[C@@H](NCc1cccc([O-])c1Cl)c1ccns1 ZINC000716032180 800161840 /nfs/dbraw/zinc/16/18/40/800161840.db2.gz BCFBAPSXGMXPQB-MRVPVSSYSA-N -1 3 268.769 3.353 20 0 CGADHM O=C(NCC[C@@H]1CC[C@@H]2C[C@@H]21)c1cc([O-])ccc1Cl ZINC000717160182 800195315 /nfs/dbraw/zinc/19/53/15/800195315.db2.gz YRKMUESRIJQOMJ-HOSYDEDBSA-N -1 3 279.767 3.212 20 0 CGADHM CCCCCc1nnc(-c2ccc(OC)c(OC)c2[O-])o1 ZINC001256136304 806832520 /nfs/dbraw/zinc/83/25/20/806832520.db2.gz IHFRJTHRFOYBEI-UHFFFAOYSA-N -1 3 292.335 3.192 20 0 CGADHM CC(C)Cc1nnc(-c2nc3cc(Cl)ccc3[n-]2)o1 ZINC001256420186 806890175 /nfs/dbraw/zinc/89/01/75/806890175.db2.gz DBOWYBXLMPJQOT-UHFFFAOYSA-N -1 3 276.727 3.465 20 0 CGADHM C[C@@H]1C[C@@H]1c1nnc(-c2cc3cccc(O)c3cc2[O-])o1 ZINC001256626376 806930454 /nfs/dbraw/zinc/93/04/54/806930454.db2.gz RCYOZTQRJIJOFU-SCZZXKLOSA-N -1 3 282.299 3.424 20 0 CGADHM C[C@H]1C[C@@H]1c1nnc(-c2cc([O-])cc(Cl)c2)o1 ZINC001256749336 806970628 /nfs/dbraw/zinc/97/06/28/806970628.db2.gz TXCYLFIENMSTCJ-WKEGUHRASA-N -1 3 250.685 3.219 20 0 CGADHM Cc1cnccc1Nc1c(Cl)c(F)[n-]c(=O)c1Cl ZINC001174536945 809067843 /nfs/dbraw/zinc/06/78/43/809067843.db2.gz OWXXUHNMAMKMPB-UHFFFAOYSA-N -1 3 288.109 3.102 20 0 CGADHM Cc1nc(CNCCCCCCCC(=O)[O-])sc1C ZINC001120087535 802734042 /nfs/dbraw/zinc/73/40/42/802734042.db2.gz LMFXPYUOSAMZBM-UHFFFAOYSA-N -1 3 284.425 3.275 20 0 CGADHM CCC(CC)(CC)NC(=O)c1c[n-]c2ccccc2c1=O ZINC001121050794 802802150 /nfs/dbraw/zinc/80/21/50/802802150.db2.gz PVMAKFAPZPDZEP-UHFFFAOYSA-N -1 3 286.375 3.227 20 0 CGADHM C[C@H]1CCCC[C@]1(C)NC(=O)c1c[n-]c2ccccc2c1=O ZINC001121126544 802806288 /nfs/dbraw/zinc/80/62/88/802806288.db2.gz PRQYRLKVUQLCDO-SGTLLEGYSA-N -1 3 298.386 3.227 20 0 CGADHM Fc1cc(F)c(Cl)c(-c2ccccc2-c2nnn[n-]2)c1 ZINC001243838603 803041387 /nfs/dbraw/zinc/04/13/87/803041387.db2.gz YIDMUYBBZXRSGE-UHFFFAOYSA-N -1 3 292.676 3.465 20 0 CGADHM Fc1cc(F)c(Cl)c(-c2ccccc2-c2nn[n-]n2)c1 ZINC001243838603 803041394 /nfs/dbraw/zinc/04/13/94/803041394.db2.gz YIDMUYBBZXRSGE-UHFFFAOYSA-N -1 3 292.676 3.465 20 0 CGADHM Cc1cc(-c2nnn[n-]2)ccc1-c1cc(C2CC2)cnc1F ZINC001243877267 803057157 /nfs/dbraw/zinc/05/71/57/803057157.db2.gz HSQJYEJGHDLBQI-UHFFFAOYSA-N -1 3 295.321 3.254 20 0 CGADHM Cc1cc(-c2nn[n-]n2)ccc1-c1cc(C2CC2)cnc1F ZINC001243877267 803057162 /nfs/dbraw/zinc/05/71/62/803057162.db2.gz HSQJYEJGHDLBQI-UHFFFAOYSA-N -1 3 295.321 3.254 20 0 CGADHM CCN(CC)c1ccc(-c2ccc(=S)[n-]n2)cc1 ZINC001243880242 803060039 /nfs/dbraw/zinc/06/00/39/803060039.db2.gz RRBDDTHSNSGGOU-UHFFFAOYSA-N -1 3 259.378 3.279 20 0 CGADHM O=C([N-]c1cc(F)c(F)cc1F)c1cnc(C2CC2)o1 ZINC001126025743 803081625 /nfs/dbraw/zinc/08/16/25/803081625.db2.gz RQQJJASSRDHZRL-UHFFFAOYSA-N -1 3 282.221 3.222 20 0 CGADHM O=c1ccc(-c2c([O-])cccc2Cl)nn1CC1CCC1 ZINC001244047875 803159184 /nfs/dbraw/zinc/15/91/84/803159184.db2.gz LKHONZFVJYZLNU-UHFFFAOYSA-N -1 3 290.750 3.069 20 0 CGADHM [O-]c1cccc(Cl)c1-c1cnc(OC2CCC2)nc1 ZINC001244047458 803159283 /nfs/dbraw/zinc/15/92/83/803159283.db2.gz GRWWWALOIFWPTG-UHFFFAOYSA-N -1 3 276.723 3.434 20 0 CGADHM COc1cc(-c2c([O-])cccc2Cl)cnc1F ZINC001244045507 803159461 /nfs/dbraw/zinc/15/94/61/803159461.db2.gz ZLOOMHBPJRLQRP-UHFFFAOYSA-N -1 3 253.660 3.255 20 0 CGADHM COc1c(C)cc(C)cc1-c1ccc(Cc2nnn[n-]2)cc1 ZINC001244118293 803195469 /nfs/dbraw/zinc/19/54/69/803195469.db2.gz UXAMFHNRWZEIDN-UHFFFAOYSA-N -1 3 294.358 3.083 20 0 CGADHM COc1c(C)cc(C)cc1-c1ccc(Cc2nn[n-]n2)cc1 ZINC001244118293 803195475 /nfs/dbraw/zinc/19/54/75/803195475.db2.gz UXAMFHNRWZEIDN-UHFFFAOYSA-N -1 3 294.358 3.083 20 0 CGADHM Cc1ncc(C2CC2)cc1-c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001244143218 803206132 /nfs/dbraw/zinc/20/61/32/803206132.db2.gz DRJYYSRCGCROTD-UHFFFAOYSA-N -1 3 295.321 3.254 20 0 CGADHM Cc1ncc(C2CC2)cc1-c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001244143218 803206133 /nfs/dbraw/zinc/20/61/33/803206133.db2.gz DRJYYSRCGCROTD-UHFFFAOYSA-N -1 3 295.321 3.254 20 0 CGADHM Cc1ncc(C(F)(F)F)cc1-c1ccc(=S)[n-]n1 ZINC001244258869 803268074 /nfs/dbraw/zinc/26/80/74/803268074.db2.gz WNOUEWYXJJUXOP-UHFFFAOYSA-N -1 3 271.267 3.155 20 0 CGADHM C[S@@](=O)c1ccccc1-c1ccc(Cl)cc1[O-] ZINC001244469659 803385627 /nfs/dbraw/zinc/38/56/27/803385627.db2.gz OYCHBWAPZBFOLK-QGZVFWFLSA-N -1 3 266.749 3.450 20 0 CGADHM NC(=O)c1cc(F)c(-c2ccc(Cl)cc2[O-])cc1F ZINC001244471272 803387478 /nfs/dbraw/zinc/38/74/78/803387478.db2.gz CTRBVLFSFFCLNY-UHFFFAOYSA-N -1 3 283.661 3.090 20 0 CGADHM CCN(C)c1nc(-c2cc(C)c(F)c([O-])c2)ncc1C ZINC001244496938 803404022 /nfs/dbraw/zinc/40/40/22/803404022.db2.gz ZFBGXNLDIRLHHN-UHFFFAOYSA-N -1 3 275.327 3.061 20 0 CGADHM CN(C)Cc1ccc(-c2cc(F)c([O-])c(Cl)c2)nc1 ZINC001244499126 803404475 /nfs/dbraw/zinc/40/44/75/803404475.db2.gz GXNFWUAKXZZKET-UHFFFAOYSA-N -1 3 280.730 3.308 20 0 CGADHM CSc1cc(C)nc(-c2cc(C)c(F)c([O-])c2)n1 ZINC001244506329 803410356 /nfs/dbraw/zinc/41/03/56/803410356.db2.gz MYDZRFBAHJSDCJ-UHFFFAOYSA-N -1 3 264.325 3.327 20 0 CGADHM CCOC(=O)c1cnc(-c2cc(C)c(F)c([O-])c2)c(C)c1 ZINC001244507907 803412029 /nfs/dbraw/zinc/41/20/29/803412029.db2.gz ZZAHNHYVEZEMOI-UHFFFAOYSA-N -1 3 289.306 3.387 20 0 CGADHM Cc1cc(-c2cccc3c2CN(C)C3=O)cc([O-])c1F ZINC001244517134 803413619 /nfs/dbraw/zinc/41/36/19/803413619.db2.gz IRZVXSJNHCMWPG-UHFFFAOYSA-N -1 3 271.291 3.092 20 0 CGADHM COC(=O)c1cc(-c2cc(C)c(F)c([O-])c2)ccc1F ZINC001244517790 803413884 /nfs/dbraw/zinc/41/38/84/803413884.db2.gz NWHBAYYYTZYEBO-UHFFFAOYSA-N -1 3 278.254 3.432 20 0 CGADHM COC(=O)c1ccc(-c2cc(C)c(F)c([O-])c2)cc1F ZINC001244517645 803414102 /nfs/dbraw/zinc/41/41/02/803414102.db2.gz LDMDMMBYPQLNCM-UHFFFAOYSA-N -1 3 278.254 3.432 20 0 CGADHM Cc1cc(-c2cccc3c2CCC(=O)N3)cc([O-])c1F ZINC001244520127 803415381 /nfs/dbraw/zinc/41/53/81/803415381.db2.gz KCIAXBVFARRUER-UHFFFAOYSA-N -1 3 271.291 3.391 20 0 CGADHM CCOC(=O)Cc1ccnc(-c2cc(C)c(F)c([O-])c2)c1 ZINC001244518349 803415743 /nfs/dbraw/zinc/41/57/43/803415743.db2.gz UBLYDLOMRRETDO-UHFFFAOYSA-N -1 3 289.306 3.007 20 0 CGADHM Cc1cc(-c2cccc3c2CNC(=O)N3)cc([O-])c1F ZINC001244524843 803417246 /nfs/dbraw/zinc/41/72/46/803417246.db2.gz HVCFHSFGKBHUIN-UHFFFAOYSA-N -1 3 272.279 3.142 20 0 CGADHM COC(=N)c1cccc(-c2cc(C)c(F)c([O-])c2)c1 ZINC001244525636 803418178 /nfs/dbraw/zinc/41/81/78/803418178.db2.gz QIMOIXREHRLMFK-UHFFFAOYSA-N -1 3 259.280 3.478 20 0 CGADHM Cc1cc(-c2cc(F)c3nccn3c2)cc([O-])c1F ZINC001244526342 803419386 /nfs/dbraw/zinc/41/93/86/803419386.db2.gz YAUZSGQBNXWROQ-UHFFFAOYSA-N -1 3 260.243 3.294 20 0 CGADHM Cc1cc(-c2ccc3c(c2)nnn3C)cc(Cl)c1[O-] ZINC001244548231 803432938 /nfs/dbraw/zinc/43/29/38/803432938.db2.gz YPQYZFIOSQFISQ-UHFFFAOYSA-N -1 3 273.723 3.303 20 0 CGADHM CC(=O)Nc1cc(-c2cc(C)c([O-])c(Cl)c2)ccn1 ZINC001244551309 803433947 /nfs/dbraw/zinc/43/39/47/803433947.db2.gz YHDSDTAXRCFGSG-UHFFFAOYSA-N -1 3 276.723 3.374 20 0 CGADHM CCOc1ccc(C)c(-c2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC001244872492 803558680 /nfs/dbraw/zinc/55/86/80/803558680.db2.gz ZKVJNJIRYLGBAT-UHFFFAOYSA-N -1 3 298.321 3.380 20 0 CGADHM CCOc1ccc(C)c(-c2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC001244872492 803558684 /nfs/dbraw/zinc/55/86/84/803558684.db2.gz ZKVJNJIRYLGBAT-UHFFFAOYSA-N -1 3 298.321 3.380 20 0 CGADHM Cc1ccc(-c2c(F)ccc(F)c2C)cc1-c1nnn[n-]1 ZINC001244988228 803606026 /nfs/dbraw/zinc/60/60/26/803606026.db2.gz VRSXYXPWDZUXBL-UHFFFAOYSA-N -1 3 286.285 3.429 20 0 CGADHM Cc1ccc(-c2c(F)ccc(F)c2C)cc1-c1nn[n-]n1 ZINC001244988228 803606027 /nfs/dbraw/zinc/60/60/27/803606027.db2.gz VRSXYXPWDZUXBL-UHFFFAOYSA-N -1 3 286.285 3.429 20 0 CGADHM [O-]c1ccc(-c2cncc(N3CCCCC3)n2)c(Cl)c1 ZINC001245077543 803633904 /nfs/dbraw/zinc/63/39/04/803633904.db2.gz BMBZDEGJEGLTSF-UHFFFAOYSA-N -1 3 289.766 3.493 20 0 CGADHM Cc1noc(-c2cccnc2-c2ccc([O-])cc2Cl)n1 ZINC001245077755 803633916 /nfs/dbraw/zinc/63/39/16/803633916.db2.gz CUXRLDFVPLDNPU-UHFFFAOYSA-N -1 3 287.706 3.466 20 0 CGADHM [O-]c1ccc(-c2ccc3nccnc3n2)c(Cl)c1 ZINC001245081168 803635362 /nfs/dbraw/zinc/63/53/62/803635362.db2.gz BKBXSTSLOQBJEU-UHFFFAOYSA-N -1 3 257.680 3.051 20 0 CGADHM CCOC(=O)c1ncccc1-c1ccc([O-])cc1Cl ZINC001245081296 803636290 /nfs/dbraw/zinc/63/62/90/803636290.db2.gz CJDQOKCJBQUROK-UHFFFAOYSA-N -1 3 277.707 3.284 20 0 CGADHM [O-]c1ccc(-c2cnc(N3CCCC3)cn2)c(Cl)c1 ZINC001245082635 803637495 /nfs/dbraw/zinc/63/74/95/803637495.db2.gz ZCOXNZQMPRTAAR-UHFFFAOYSA-N -1 3 275.739 3.103 20 0 CGADHM CCCOc1ccc(-c2ccc(-c3nnn[n-]3)cc2C)cn1 ZINC001245234200 803671878 /nfs/dbraw/zinc/67/18/78/803671878.db2.gz OEYUVFWMTVVPBL-UHFFFAOYSA-N -1 3 295.346 3.026 20 0 CGADHM CCCOc1ccc(-c2ccc(-c3nn[n-]n3)cc2C)cn1 ZINC001245234200 803671882 /nfs/dbraw/zinc/67/18/82/803671882.db2.gz OEYUVFWMTVVPBL-UHFFFAOYSA-N -1 3 295.346 3.026 20 0 CGADHM CCc1ccc(C(=O)N[C@H]2CCCC2(C)C)c([O-])c1 ZINC001137145734 803688411 /nfs/dbraw/zinc/68/84/11/803688411.db2.gz NBGGHDXMWWGUDN-AWEZNQCLSA-N -1 3 261.365 3.263 20 0 CGADHM CN1CCc2ccc(-c3cc(CC(=O)[O-])ccc3F)cc2C1 ZINC001245322260 803700452 /nfs/dbraw/zinc/70/04/52/803700452.db2.gz MVHNHKZBBSAZAE-UHFFFAOYSA-N -1 3 299.345 3.108 20 0 CGADHM CCc1ccc(C(=O)N[C@@H]2CC(=O)c3ccccc32)c([O-])c1 ZINC001137870380 803789701 /nfs/dbraw/zinc/78/97/01/803789701.db2.gz QFOHMTUFYRLZPP-OAHLLOKOSA-N -1 3 295.338 3.012 20 0 CGADHM Nc1ccc(N(c2ccc([O-])c(F)c2F)C2CCC2)nc1 ZINC001212005349 814965906 /nfs/dbraw/zinc/96/59/06/814965906.db2.gz IBPPVAITJCOEQP-UHFFFAOYSA-N -1 3 291.301 3.338 20 0 CGADHM COC(=O)c1ccc(-c2c([O-])cccc2F)cc1F ZINC001245653085 803884979 /nfs/dbraw/zinc/88/49/79/803884979.db2.gz JQTZCTXEZRMYEH-UHFFFAOYSA-N -1 3 264.227 3.124 20 0 CGADHM NC(=O)c1cc2cc(-c3c([O-])cccc3F)ccc2o1 ZINC001245654433 803885926 /nfs/dbraw/zinc/88/59/26/803885926.db2.gz FCVKYPDCWLFCGI-UHFFFAOYSA-N -1 3 271.247 3.043 20 0 CGADHM COC(=O)c1c(F)c(C)ccc1-c1c([O-])cccc1F ZINC001245653994 803886581 /nfs/dbraw/zinc/88/65/81/803886581.db2.gz IITGJPBSYXXUFA-UHFFFAOYSA-N -1 3 278.254 3.432 20 0 CGADHM [O-]c1cccc(F)c1-c1cccc(N2CCOCC2)c1 ZINC001245656316 803889875 /nfs/dbraw/zinc/88/98/75/803889875.db2.gz OKPAZYOGMKOWEH-UHFFFAOYSA-N -1 3 273.307 3.035 20 0 CGADHM COc1cc(OC)c(-c2c([O-])cccc2F)c(OC)c1 ZINC001245657033 803890827 /nfs/dbraw/zinc/89/08/27/803890827.db2.gz ZZCKZMRWMMONSS-UHFFFAOYSA-N -1 3 278.279 3.224 20 0 CGADHM COc1cc(-c2c([O-])cccc2F)c2cc[nH]c2n1 ZINC001245658037 803892214 /nfs/dbraw/zinc/89/22/14/803892214.db2.gz XRXNKZRMKQWTAL-UHFFFAOYSA-N -1 3 258.252 3.083 20 0 CGADHM Cc1nc2c(ncc(-c3c([O-])cccc3F)c2C)[nH]1 ZINC001245657942 803892273 /nfs/dbraw/zinc/89/22/73/803892273.db2.gz VIZWDLCBMLJCOM-UHFFFAOYSA-N -1 3 257.268 3.086 20 0 CGADHM CC(C)Oc1ccc(F)c(Nc2cc(=O)[n-]c(=S)[nH]2)c1 ZINC001212308271 815004079 /nfs/dbraw/zinc/00/40/79/815004079.db2.gz QIFONECBJOSBNS-UHFFFAOYSA-N -1 3 295.339 3.141 20 0 CGADHM O=C([O-])c1ccccc1CN1CCC[C@@H]1c1cccnc1 ZINC001140498051 804449186 /nfs/dbraw/zinc/44/91/86/804449186.db2.gz GMTCPCBORRRHRC-MRXNPFEDSA-N -1 3 282.343 3.117 20 0 CGADHM CC[C@H]1CCCN(Cc2ccc([O-])c(F)c2F)C1 ZINC001140893097 804543549 /nfs/dbraw/zinc/54/35/49/804543549.db2.gz HJAIYUUIMUARSK-JTQLQIEISA-N -1 3 255.308 3.292 20 0 CGADHM COC(C)(C)[C@H]1CCCN1Cc1ccc([O-])c(F)c1F ZINC001140894040 804545383 /nfs/dbraw/zinc/54/53/83/804545383.db2.gz OTNGHUQMWHEOIQ-GFCCVEGCSA-N -1 3 285.334 3.060 20 0 CGADHM C[C@@H](C(=O)Nc1c([O-])cccc1Cl)c1ccco1 ZINC001141467429 804643675 /nfs/dbraw/zinc/64/36/75/804643675.db2.gz VNHRDSUXZMUKKZ-MRVPVSSYSA-N -1 3 265.696 3.381 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C ZINC001141518268 804650024 /nfs/dbraw/zinc/65/00/24/804650024.db2.gz KXONWTLCDBOCLU-AVGNSLFASA-N -1 3 253.386 3.319 20 0 CGADHM Cc1cccc(OC[C@@H](C)NC(=O)c2c(C)cccc2[O-])c1 ZINC001142031809 804689936 /nfs/dbraw/zinc/68/99/36/804689936.db2.gz NLYZOIDRUGQBMY-CQSZACIVSA-N -1 3 299.370 3.206 20 0 CGADHM C[C@]1(O)CCCN(Cc2c(Cl)cc([O-])cc2Cl)C1 ZINC001142114413 804696482 /nfs/dbraw/zinc/69/64/82/804696482.db2.gz HMAIOKUBQVZGPE-ZDUSSCGKSA-N -1 3 290.190 3.046 20 0 CGADHM O=C(/C=C/c1ccccn1)Nc1cc([O-])cc(Cl)c1 ZINC001142297948 804714941 /nfs/dbraw/zinc/71/49/41/804714941.db2.gz PZGJSKGNQXMLIJ-SNAWJCMRSA-N -1 3 274.707 3.093 20 0 CGADHM CC(C)(C)[C@H]1CC[C@@H]([N-]C(=O)C(F)(F)F)CC1 ZINC001142769983 804766761 /nfs/dbraw/zinc/76/67/61/804766761.db2.gz BBTMFCPJNBNIGM-DTORHVGOSA-N -1 3 251.292 3.270 20 0 CGADHM CN(c1cc(F)cc(F)c1[O-])c1nc(Cl)ccc1N ZINC001212481919 815036337 /nfs/dbraw/zinc/03/63/37/815036337.db2.gz RCUWDSPYMGINGC-UHFFFAOYSA-N -1 3 285.681 3.069 20 0 CGADHM Nc1ccccc1-c1nccn1-c1cc(F)cc(F)c1[O-] ZINC001212491726 815040380 /nfs/dbraw/zinc/04/03/80/815040380.db2.gz YJAHBMWQHHLFHV-UHFFFAOYSA-N -1 3 287.269 3.105 20 0 CGADHM C[C@@H]1C[C@@H](C)CCN1Cc1c(F)cc([O-])cc1F ZINC001144555179 805003762 /nfs/dbraw/zinc/00/37/62/805003762.db2.gz YNSZGOZPEDUONM-VHSXEESVSA-N -1 3 255.308 3.291 20 0 CGADHM C[C@H]1CCCN(Cc2c(F)cc([O-])cc2F)[C@H]1C ZINC001144555218 805004022 /nfs/dbraw/zinc/00/40/22/805004022.db2.gz ZSSPZYQFYBBVKS-UWVGGRQHSA-N -1 3 255.308 3.291 20 0 CGADHM [O-]c1cc(F)c(CN2CCC[C@@H]3CCC[C@H]32)cc1F ZINC001144658467 805024809 /nfs/dbraw/zinc/02/48/09/805024809.db2.gz XLBWMSKIOFATJV-IINYFYTJSA-N -1 3 267.319 3.435 20 0 CGADHM COC(C)(C)[C@H]1CCCN1Cc1cc(F)c([O-])cc1F ZINC001144658472 805025625 /nfs/dbraw/zinc/02/56/25/805025625.db2.gz XPZIOLVFCMAMBQ-CQSZACIVSA-N -1 3 285.334 3.060 20 0 CGADHM CC(C)(C)c1ccc(C(=O)Nc2ccc(F)c([O-])c2)cn1 ZINC001147802374 805150903 /nfs/dbraw/zinc/15/09/03/805150903.db2.gz DAYAYJAHIVIFBS-UHFFFAOYSA-N -1 3 288.322 3.476 20 0 CGADHM Cc1ccc(C(=O)Nc2cccc(C(C)C)n2)c([O-])c1 ZINC001148492080 805188376 /nfs/dbraw/zinc/18/83/76/805188376.db2.gz GSHHCXPNGVDJQX-UHFFFAOYSA-N -1 3 270.332 3.471 20 0 CGADHM COc1cc2[nH]ccc2c(NC(=O)c2ccc(C)cc2[O-])c1 ZINC001148506199 805190733 /nfs/dbraw/zinc/19/07/33/805190733.db2.gz WGJLVNZAZCBIOK-UHFFFAOYSA-N -1 3 296.326 3.443 20 0 CGADHM O=C([O-])c1c(F)ccc(CN2CCC[C@@H]3CCC[C@@H]32)c1F ZINC001249775890 805242643 /nfs/dbraw/zinc/24/26/43/805242643.db2.gz GMPQBRLQGPVRAL-GWCFXTLKSA-N -1 3 295.329 3.428 20 0 CGADHM CSc1ccc([O-])c(C(=O)N[C@@H](C)c2ccns2)c1 ZINC001150573629 805260172 /nfs/dbraw/zinc/26/01/72/805260172.db2.gz GZTSYGBLLKJUIM-QMMMGPOBSA-N -1 3 294.401 3.062 20 0 CGADHM CC(=O)c1cccc([O-])c1NC(=O)c1cc2c([nH]1)CCCC2 ZINC001150637179 805263522 /nfs/dbraw/zinc/26/35/22/805263522.db2.gz MDRYZGDYHHNUBZ-UHFFFAOYSA-N -1 3 298.342 3.054 20 0 CGADHM CC(=O)c1cc2c(cc1Nc1cccc([O-])c1F)OCO2 ZINC001212551367 815064063 /nfs/dbraw/zinc/06/40/63/815064063.db2.gz NXDUVKXECPMQBB-UHFFFAOYSA-N -1 3 289.262 3.206 20 0 CGADHM [O-]c1ccc(-c2nc(-c3cccc(Cl)c3)no2)nc1 ZINC001212558172 815067930 /nfs/dbraw/zinc/06/79/30/815067930.db2.gz VDZACYXLFUZIGP-UHFFFAOYSA-N -1 3 273.679 3.158 20 0 CGADHM Cc1c(N)c(C(=O)Nc2ccc(Cl)cc2[O-])ccc1F ZINC001153460759 805397974 /nfs/dbraw/zinc/39/79/74/805397974.db2.gz IVTGUMBVPMVJSW-UHFFFAOYSA-N -1 3 294.713 3.328 20 0 CGADHM CCOC(=O)c1ccc(Nc2ncc(F)cc2[O-])cc1C ZINC001250083979 805405839 /nfs/dbraw/zinc/40/58/39/805405839.db2.gz QMHKBCDUGOPRDT-UHFFFAOYSA-N -1 3 290.294 3.155 20 0 CGADHM CCCCCC[C@H](O)CCC(=O)[N-]Oc1ccccc1F ZINC001154220606 805441043 /nfs/dbraw/zinc/44/10/43/805441043.db2.gz VTULRKOLCKLDHF-ZDUSSCGKSA-N -1 3 297.370 3.347 20 0 CGADHM [O-]c1cc(Nc2cnc3c(c2)COCC3)ccc1Cl ZINC001212588197 815076878 /nfs/dbraw/zinc/07/68/78/815076878.db2.gz JKZXXEZUXNPOMF-UHFFFAOYSA-N -1 3 276.723 3.257 20 0 CGADHM CSc1nccc(Nc2ccc(Cl)c([O-])c2)n1 ZINC001212588128 815077463 /nfs/dbraw/zinc/07/74/63/815077463.db2.gz GAFDIPXVKVFRRT-UHFFFAOYSA-N -1 3 267.741 3.301 20 0 CGADHM Nc1ccc(Cl)nc1Nc1ccc(Cl)c([O-])c1 ZINC001212589499 815077971 /nfs/dbraw/zinc/07/79/71/815077971.db2.gz OPGUSGFMBBJVJZ-UHFFFAOYSA-N -1 3 270.119 3.420 20 0 CGADHM [O-]c1cc(Nc2ccc(CCO)cc2)ccc1Cl ZINC001212591561 815079780 /nfs/dbraw/zinc/07/97/80/815079780.db2.gz SCKKPIOCTNRLTL-UHFFFAOYSA-N -1 3 263.724 3.324 20 0 CGADHM Cc1nnc2ccc(Nc3ccc(Cl)c([O-])c3)cn12 ZINC001212590681 815079984 /nfs/dbraw/zinc/07/99/84/815079984.db2.gz YLUBUPYVQZOHOT-UHFFFAOYSA-N -1 3 274.711 3.140 20 0 CGADHM COCCCn1c(=O)[n-]nc1S[C@@H](C)C1CCCCC1 ZINC001165423865 807003389 /nfs/dbraw/zinc/00/33/89/807003389.db2.gz TVZXRURUVIZDMO-NSHDSACASA-N -1 3 299.440 3.081 20 0 CGADHM Cc1ccc(SCc2nnc(-c3ccccc3[O-])o2)nc1 ZINC001165519107 807006646 /nfs/dbraw/zinc/00/66/46/807006646.db2.gz BCVYJQJTTDMMRJ-UHFFFAOYSA-N -1 3 299.355 3.438 20 0 CGADHM CC(F)(F)c1ccc(Nc2ccc(C(N)=O)c([O-])c2)cc1 ZINC001212678295 815100405 /nfs/dbraw/zinc/10/04/05/815100405.db2.gz RCKHUGOTPJJHMX-UHFFFAOYSA-N -1 3 292.285 3.346 20 0 CGADHM Cc1c([O-])cc(-c2nnc(CC(C)(C)C)o2)cc1F ZINC001257903800 807248281 /nfs/dbraw/zinc/24/82/81/807248281.db2.gz SDQUBYZUCZGXOJ-UHFFFAOYSA-N -1 3 264.300 3.478 20 0 CGADHM Cc1ccc(-c2noc(-c3cncc([O-])c3)n2)cc1Cl ZINC001212708687 815110417 /nfs/dbraw/zinc/11/04/17/815110417.db2.gz OZIDXUZODVLDSW-UHFFFAOYSA-N -1 3 287.706 3.466 20 0 CGADHM Cc1nocc1Nc1cccc([O-])c1Br ZINC001212726195 815116667 /nfs/dbraw/zinc/11/66/67/815116667.db2.gz PYNVDALVCSLYKX-UHFFFAOYSA-N -1 3 269.098 3.195 20 0 CGADHM CC[C@H](C)C[C@@H](C)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC001168695901 807485447 /nfs/dbraw/zinc/48/54/47/807485447.db2.gz WMOTYALKEBEQTQ-WDEREUQCSA-N -1 3 289.383 3.112 20 0 CGADHM CC[C@H](C)C[C@@H](C)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC001168695901 807485453 /nfs/dbraw/zinc/48/54/53/807485453.db2.gz WMOTYALKEBEQTQ-WDEREUQCSA-N -1 3 289.383 3.112 20 0 CGADHM Cc1ccc([C@H](C)Nc2ccc(C)c(-c3nnn[n-]3)c2)nc1 ZINC001168860189 807531552 /nfs/dbraw/zinc/53/15/52/807531552.db2.gz ITLSQHUNWYKEER-LBPRGKRZSA-N -1 3 294.362 3.052 20 0 CGADHM Cc1ccc([C@H](C)Nc2ccc(C)c(-c3nn[n-]n3)c2)nc1 ZINC001168860189 807531560 /nfs/dbraw/zinc/53/15/60/807531560.db2.gz ITLSQHUNWYKEER-LBPRGKRZSA-N -1 3 294.362 3.052 20 0 CGADHM CC(C)(C)c1ccc(-c2noc(-c3cnc[n-]c3=O)n2)cc1 ZINC001212753939 815127368 /nfs/dbraw/zinc/12/73/68/815127368.db2.gz VXMWUDZGQYTGML-UHFFFAOYSA-N -1 3 296.330 3.197 20 0 CGADHM O=c1[n-]cncc1-c1nc(-c2cccc3ccccc32)no1 ZINC001212754851 815127449 /nfs/dbraw/zinc/12/74/49/815127449.db2.gz RAUGETXIGRXVPN-UHFFFAOYSA-N -1 3 290.282 3.052 20 0 CGADHM CC(C)CS(=O)(=O)[N-]c1c(F)cccc1C(F)(F)F ZINC001259877725 807690483 /nfs/dbraw/zinc/69/04/83/807690483.db2.gz SNMNYYJEZMRAGN-UHFFFAOYSA-N -1 3 299.289 3.242 20 0 CGADHM CC(C)Cc1ccc([C@@H](C)[N-]S(=O)(=O)C(F)F)cc1 ZINC001259964716 807695360 /nfs/dbraw/zinc/69/53/60/807695360.db2.gz FCPPDSJHKNHJNZ-SNVBAGLBSA-N -1 3 291.363 3.088 20 0 CGADHM [O-]c1cccnc1CNc1nc(Cl)nc2sccc21 ZINC001169726936 807698508 /nfs/dbraw/zinc/69/85/08/807698508.db2.gz GZLYHVNVCBMUHD-UHFFFAOYSA-N -1 3 292.751 3.057 20 0 CGADHM CSc1ccc([O-])c(C(=O)N[C@H]2CCC[C@H](F)C2)c1 ZINC001261745236 807780646 /nfs/dbraw/zinc/78/06/46/807780646.db2.gz CPQARFZJBMEFOA-UWVGGRQHSA-N -1 3 283.368 3.125 20 0 CGADHM O=C([O-])c1cc(CN2CCC[C@@H]2CC2CCCCC2)[nH]n1 ZINC001262159582 807831095 /nfs/dbraw/zinc/83/10/95/807831095.db2.gz BEFLTXXFFJMYSI-CQSZACIVSA-N -1 3 291.395 3.043 20 0 CGADHM O=C([O-])CC1(CCNCc2cscn2)CCCCC1 ZINC001262163440 807832190 /nfs/dbraw/zinc/83/21/90/807832190.db2.gz TVRNDZHOWZYUJB-UHFFFAOYSA-N -1 3 282.409 3.048 20 0 CGADHM CC(C)c1ccc(C(=O)NCC[C@H]2CCSC2)c([O-])c1 ZINC001171644316 808110942 /nfs/dbraw/zinc/11/09/42/808110942.db2.gz UVYIYWCJLYCUBU-LBPRGKRZSA-N -1 3 293.432 3.389 20 0 CGADHM COc1ccc(Nc2cnc(C)[n-]c2=O)c(C(F)(F)F)c1 ZINC001213048628 815211820 /nfs/dbraw/zinc/21/18/20/815211820.db2.gz WNUWCDKKTQKQJY-UHFFFAOYSA-N -1 3 299.252 3.262 20 0 CGADHM CC(=O)Nc1ccc(Nc2cc([O-])c(F)cc2F)cc1 ZINC001173976977 808800344 /nfs/dbraw/zinc/80/03/44/808800344.db2.gz JJODJKZYEBXZMF-UHFFFAOYSA-N -1 3 278.258 3.372 20 0 CGADHM [O-]c1cnc(N=C2CCCC2)c(Br)c1 ZINC001173999262 808812611 /nfs/dbraw/zinc/81/26/11/808812611.db2.gz ORXMIBSRBSOBRF-UHFFFAOYSA-N -1 3 255.115 3.029 20 0 CGADHM Cn1ccc2cc(Nc3cc(=O)[n-]c(C4CC4)n3)ccc21 ZINC001174097039 808863147 /nfs/dbraw/zinc/86/31/47/808863147.db2.gz RKOXBBVUUBRAAQ-UHFFFAOYSA-N -1 3 280.331 3.295 20 0 CGADHM Cn1ncc2ccc(Nc3ccc([O-])c(F)c3F)cc21 ZINC001174339569 808959941 /nfs/dbraw/zinc/95/99/41/808959941.db2.gz PPCHJQAKLIVSRM-UHFFFAOYSA-N -1 3 275.258 3.301 20 0 CGADHM Fc1ccc2nc([N-]c3cnc(C4CC4)nc3)oc2c1 ZINC001174608172 809101043 /nfs/dbraw/zinc/10/10/43/809101043.db2.gz DXZBYSGWAWJEOH-UHFFFAOYSA-N -1 3 270.267 3.378 20 0 CGADHM [O-]c1cc(F)c(Nc2cnc(C3CC3)nc2)cc1F ZINC001174617587 809105159 /nfs/dbraw/zinc/10/51/59/809105159.db2.gz GQMIXYDWAQOJEP-UHFFFAOYSA-N -1 3 263.247 3.081 20 0 CGADHM CCO[C@@H](C)n1cc(Nc2cc(F)c([O-])c(F)c2)cn1 ZINC001174700250 809135921 /nfs/dbraw/zinc/13/59/21/809135921.db2.gz UJUXYKJRFPBRHA-QMMMGPOBSA-N -1 3 283.278 3.166 20 0 CGADHM O=C([O-])c1ccc(Nc2ccnc(C3CC3)c2)s1 ZINC001174806736 809167287 /nfs/dbraw/zinc/16/72/87/809167287.db2.gz DGZMDBRNJXXRBQ-UHFFFAOYSA-N -1 3 260.318 3.462 20 0 CGADHM COCc1ccc(Nc2cc(=O)n(-c3ccccc3)[n-]2)cc1 ZINC001174918414 809199835 /nfs/dbraw/zinc/19/98/35/809199835.db2.gz CIMHBKYRHKSIEB-UHFFFAOYSA-N -1 3 295.342 3.468 20 0 CGADHM CN1CCc2ccc(Nc3ccc(CC(=O)[O-])cc3)cc2C1 ZINC001174957228 809215635 /nfs/dbraw/zinc/21/56/35/809215635.db2.gz XJZDJEMBFPQFTN-UHFFFAOYSA-N -1 3 296.370 3.045 20 0 CGADHM O=C1CCc2cccc(Nc3cc(F)c([O-])c(F)c3)c2N1 ZINC001213388905 815275181 /nfs/dbraw/zinc/27/51/81/815275181.db2.gz SEJKEMRAQSLRCE-UHFFFAOYSA-N -1 3 290.269 3.299 20 0 CGADHM CC(=O)c1ncccc1Nc1cc(F)c([O-])c(F)c1 ZINC001213377735 815272802 /nfs/dbraw/zinc/27/28/02/815272802.db2.gz ZPUBSEBTRRADKY-UHFFFAOYSA-N -1 3 264.231 3.012 20 0 CGADHM Cc1ccc(F)c(Nc2cc(F)c([O-])c(F)c2)n1 ZINC001213377360 815273028 /nfs/dbraw/zinc/27/30/28/815273028.db2.gz LNZLVOMSFLHWIH-UHFFFAOYSA-N -1 3 254.211 3.257 20 0 CGADHM [O-]c1c(F)cc(Nc2ccc(C3OCCO3)cc2)cc1F ZINC001213381762 815273597 /nfs/dbraw/zinc/27/35/97/815273597.db2.gz FRNVYFIVVPYFSX-UHFFFAOYSA-N -1 3 293.269 3.459 20 0 CGADHM O=C1CCc2cc(Nc3cc(F)c([O-])c(F)c3)ccc2N1 ZINC001213384659 815274293 /nfs/dbraw/zinc/27/42/93/815274293.db2.gz ZLCMZJXRXNOWAM-UHFFFAOYSA-N -1 3 290.269 3.299 20 0 CGADHM Cc1c(CO)cccc1Nc1c(F)cc([O-])cc1F ZINC001175098037 809269806 /nfs/dbraw/zinc/26/98/06/809269806.db2.gz WLARUQYVRPXWES-UHFFFAOYSA-N -1 3 265.259 3.215 20 0 CGADHM CCNC(=O)c1ccccc1Nc1c(F)cc([O-])cc1F ZINC001175099707 809271259 /nfs/dbraw/zinc/27/12/59/809271259.db2.gz GSHQLEXHUZYTRX-UHFFFAOYSA-N -1 3 292.285 3.164 20 0 CGADHM CCc1ncsc1Nc1c(F)ccc([O-])c1F ZINC001175264088 809329927 /nfs/dbraw/zinc/32/99/27/809329927.db2.gz ABBUGRZWBGTXQZ-UHFFFAOYSA-N -1 3 256.277 3.433 20 0 CGADHM COc1nc(Cl)ccc1Nc1c(F)ccc([O-])c1F ZINC001175263400 809330232 /nfs/dbraw/zinc/33/02/32/809330232.db2.gz KRLHOPOBTFWHNA-UHFFFAOYSA-N -1 3 286.665 3.471 20 0 CGADHM [O-]c1ccc(F)c(Nc2ccc3c(c2)OCO3)c1F ZINC001175265417 809331382 /nfs/dbraw/zinc/33/13/82/809331382.db2.gz NUKXVDINXLNGGU-UHFFFAOYSA-N -1 3 265.215 3.143 20 0 CGADHM Nc1cccc2c1c(Cl)nn2-c1c(F)ccc([O-])c1F ZINC001175269822 809334683 /nfs/dbraw/zinc/33/46/83/809334683.db2.gz NEGYPICCZIWLEG-UHFFFAOYSA-N -1 3 295.676 3.245 20 0 CGADHM CC(C)c1ncsc1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175429246 809401517 /nfs/dbraw/zinc/40/15/17/809401517.db2.gz UBUBBPWVOGCZMF-UHFFFAOYSA-N -1 3 286.364 3.190 20 0 CGADHM Cn1ccc2c1cccc2Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175430076 809401579 /nfs/dbraw/zinc/40/15/79/809401579.db2.gz DGINVRNTTCKQGD-UHFFFAOYSA-N -1 3 290.330 3.102 20 0 CGADHM c1cc(Nc2ccc(-c3nn[n-]n3)cc2)cc(C2CC2)c1 ZINC001175431304 809402613 /nfs/dbraw/zinc/40/26/13/809402613.db2.gz BWCIMTPSCKGBEN-UHFFFAOYSA-N -1 3 277.331 3.488 20 0 CGADHM Cc1c2c[nH]nc2ccc1[N-]c1noc(C(C)(C)C)n1 ZINC001175465893 809416052 /nfs/dbraw/zinc/41/60/52/809416052.db2.gz HEJJFKYGMXKKTC-UHFFFAOYSA-N -1 3 271.324 3.295 20 0 CGADHM Cc1ccc(F)c(-c2noc(-c3cc(Cl)n[n-]3)n2)c1 ZINC001213498839 815290773 /nfs/dbraw/zinc/29/07/73/815290773.db2.gz VMRWIIDYKMYIQW-UHFFFAOYSA-N -1 3 278.674 3.228 20 0 CGADHM Cc1cccc([O-])c1C(=O)N(C)Cc1cc2ccccc2[nH]1 ZINC001294332932 809465729 /nfs/dbraw/zinc/46/57/29/809465729.db2.gz ADONHDGTVJYCRH-UHFFFAOYSA-N -1 3 294.354 3.454 20 0 CGADHM Clc1cc(-c2nc(-c3ccc4cnccc4c3)no2)[n-]n1 ZINC001213500654 815291299 /nfs/dbraw/zinc/29/12/99/815291299.db2.gz NSXAVVWPZUBYCI-UHFFFAOYSA-N -1 3 297.705 3.328 20 0 CGADHM NC(=O)c1ccc(NC=Cc2ccc(Cl)cc2)cc1[O-] ZINC001175598929 809469834 /nfs/dbraw/zinc/46/98/34/809469834.db2.gz VAVUDJNTPRRIFP-BQYQJAHWSA-N -1 3 288.734 3.227 20 0 CGADHM [O-]c1cc(F)c(Nc2cccc3c[nH]nc32)c(F)c1 ZINC001175641140 809486591 /nfs/dbraw/zinc/48/65/91/809486591.db2.gz IYJFCGDLRLSNRS-UHFFFAOYSA-N -1 3 261.231 3.290 20 0 CGADHM O=C(CCc1ccc(O)cc1)Nc1c([O-])cccc1Cl ZINC001298550841 809533766 /nfs/dbraw/zinc/53/37/66/809533766.db2.gz PDYXVGSBUSEBNW-UHFFFAOYSA-N -1 3 291.734 3.323 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)C[C@H](C)Cc1cccc(OC)c1 ZINC001298607033 809534424 /nfs/dbraw/zinc/53/44/24/809534424.db2.gz OSCJVYPIXAKZGK-ZIAGYGMSSA-N -1 3 293.407 3.358 20 0 CGADHM CC[C@H]1CCCC[C@H]1CNC(=O)c1ccc(OC)cc1[O-] ZINC001298623214 809536190 /nfs/dbraw/zinc/53/61/90/809536190.db2.gz IHOHHGLPBDQPFG-STQMWFEESA-N -1 3 291.391 3.347 20 0 CGADHM CC[C@@H](NC(=O)c1cc([O-])ccc1Cl)c1ccccn1 ZINC001299614961 809553252 /nfs/dbraw/zinc/55/32/52/809553252.db2.gz KNHCHAJJRAYSLC-CYBMUJFWSA-N -1 3 290.750 3.322 20 0 CGADHM Cc1ccc(C(=O)N[C@H]2C[C@@]2(F)c2ccccc2)c([O-])c1 ZINC001299748179 809554201 /nfs/dbraw/zinc/55/42/01/809554201.db2.gz GMKAGZFATZSEOQ-DOTOQJQBSA-N -1 3 285.318 3.068 20 0 CGADHM C[C@H]1CCCCN1NC(=O)c1cc2sccc2c([O-])c1 ZINC001300110218 809562101 /nfs/dbraw/zinc/56/21/01/809562101.db2.gz LXNAQLQBSZTNDA-JTQLQIEISA-N -1 3 290.388 3.126 20 0 CGADHM COc1cccc([N-]c2nc(C)ns2)c1Cl ZINC001175893701 809565168 /nfs/dbraw/zinc/56/51/68/809565168.db2.gz IFZXGZOCLVJZFN-UHFFFAOYSA-N -1 3 255.730 3.252 20 0 CGADHM Cc1cc(NC(=O)c2cc([O-])ccc2Cl)cnc1C ZINC001176064906 809614012 /nfs/dbraw/zinc/61/40/12/809614012.db2.gz QIPVXSRYUZHAIC-UHFFFAOYSA-N -1 3 276.723 3.310 20 0 CGADHM [O-]c1cc(F)cnc1Nc1cc(F)cc(N2CCCC2)c1 ZINC001176420473 809691612 /nfs/dbraw/zinc/69/16/12/809691612.db2.gz DNZCTOHWEYUMHQ-UHFFFAOYSA-N -1 3 291.301 3.409 20 0 CGADHM [O-]c1cc(F)cnc1Nc1cc(O)cc(Cl)c1 ZINC001176623880 809732932 /nfs/dbraw/zinc/73/29/32/809732932.db2.gz KAQZHLOFUALGIZ-UHFFFAOYSA-N -1 3 254.648 3.029 20 0 CGADHM CC(=O)c1ccc(C(=O)NCCC[C@H]2C=CCC2)cc1[O-] ZINC001176910759 809769035 /nfs/dbraw/zinc/76/90/35/809769035.db2.gz XTQJBGNBQHAFJI-ZDUSSCGKSA-N -1 3 287.359 3.071 20 0 CGADHM O=C([N-]Oc1ccccc1F)c1c(F)cccc1Cl ZINC001177109459 809781234 /nfs/dbraw/zinc/78/12/34/809781234.db2.gz IUHLMFUAWDQASJ-UHFFFAOYSA-N -1 3 283.661 3.342 20 0 CGADHM O=C(Nc1cc([O-])cc(Cl)c1)C(F)(F)c1ccccn1 ZINC001177301818 809792385 /nfs/dbraw/zinc/79/23/85/809792385.db2.gz HCKANTPJVGLNFC-UHFFFAOYSA-N -1 3 298.676 3.171 20 0 CGADHM COc1cc(CC(=O)Nc2ccc(F)c([O-])c2)ccc1C ZINC001182305262 810103537 /nfs/dbraw/zinc/10/35/37/810103537.db2.gz PSHYLNLTIVPDSI-UHFFFAOYSA-N -1 3 289.306 3.030 20 0 CGADHM [O-]c1ccc(CNCc2cccc3[nH]ccc32)c(F)c1F ZINC001183483229 810149803 /nfs/dbraw/zinc/14/98/03/810149803.db2.gz SIIRQFWAHKHCHU-UHFFFAOYSA-N -1 3 288.297 3.442 20 0 CGADHM O=C(NCC1CC1)Nc1cc2ccccc2cc1[O-] ZINC001186613852 810350921 /nfs/dbraw/zinc/35/09/21/810350921.db2.gz VNZKIDUWBTXXGP-UHFFFAOYSA-N -1 3 256.305 3.077 20 0 CGADHM O=C(NCCC(F)(F)F)Nc1cc([O-])cc(Cl)c1 ZINC001187013402 810378994 /nfs/dbraw/zinc/37/89/94/810378994.db2.gz DZRPOVCDVXTUOI-UHFFFAOYSA-N -1 3 282.649 3.120 20 0 CGADHM CN(C)Cc1ccc(C(=O)Nc2ccccc2[S-])cc1 ZINC001187293390 810393103 /nfs/dbraw/zinc/39/31/03/810393103.db2.gz GAVMFOQQASHVOQ-UHFFFAOYSA-N -1 3 286.400 3.289 20 0 CGADHM Cc1cc(N)ccc1Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001214110344 815371124 /nfs/dbraw/zinc/37/11/24/815371124.db2.gz SFWQJUJDSBCQHD-UHFFFAOYSA-N -1 3 280.331 3.212 20 0 CGADHM Cc1ccncc1C(=O)Nc1cc([O-])cc(Cl)c1 ZINC001188233300 810470647 /nfs/dbraw/zinc/47/06/47/810470647.db2.gz XOSZXROCCMFXQN-UHFFFAOYSA-N -1 3 262.696 3.001 20 0 CGADHM CCc1nccc(C)c1NC(=O)c1c(C)cccc1[O-] ZINC001188640148 810497325 /nfs/dbraw/zinc/49/73/25/810497325.db2.gz HGIOPHFPTSCBHT-UHFFFAOYSA-N -1 3 270.332 3.219 20 0 CGADHM Cc1ccc(CCCO)c(NC(=O)c2c(C)cccc2[O-])c1 ZINC001188654835 810500069 /nfs/dbraw/zinc/50/00/69/810500069.db2.gz HJHNDBCSLSEOSD-UHFFFAOYSA-N -1 3 299.370 3.186 20 0 CGADHM CC(C)(C)c1ccc(C(=O)N[C@@H]2CC23CCC3)c([O-])c1 ZINC001192340110 810788114 /nfs/dbraw/zinc/78/81/14/810788114.db2.gz NYPLNCLKWLTXBQ-CQSZACIVSA-N -1 3 273.376 3.362 20 0 CGADHM CSc1ccc(C(=O)[N-]c2noc3cccnc32)s1 ZINC001192636162 810811711 /nfs/dbraw/zinc/81/17/11/810811711.db2.gz PHVUZIBAODPNSD-UHFFFAOYSA-N -1 3 291.357 3.259 20 0 CGADHM CCCc1ncncc1C(=O)Nc1cc([O-])cc(Cl)c1 ZINC001193445783 810888214 /nfs/dbraw/zinc/88/82/14/810888214.db2.gz KENKIIFIPNDVSO-UHFFFAOYSA-N -1 3 291.738 3.040 20 0 CGADHM COCOc1ccc(Cl)cc1Nc1ncc(F)cc1[O-] ZINC001214420590 815406795 /nfs/dbraw/zinc/40/67/95/815406795.db2.gz OSRVAQRUHFJKIM-UHFFFAOYSA-N -1 3 298.701 3.306 20 0 CGADHM Nc1cn(-c2cc(F)c([O-])c(Cl)c2)c2cccnc12 ZINC001214482554 815416441 /nfs/dbraw/zinc/41/64/41/815416441.db2.gz AYKHNASHDCHEJC-UHFFFAOYSA-N -1 3 277.686 3.106 20 0 CGADHM COc1ccc(OC(=O)Nc2cc(F)ccc2[O-])cc1 ZINC001194532769 811086877 /nfs/dbraw/zinc/08/68/77/811086877.db2.gz DBRRGIBHUKIRJX-UHFFFAOYSA-N -1 3 277.251 3.151 20 0 CGADHM Cc1nc(NC(=O)Oc2ccc3ccccc3c2)cc(=O)[n-]1 ZINC001194628276 811096609 /nfs/dbraw/zinc/09/66/09/811096609.db2.gz LXYMEJYWPDTQQY-UHFFFAOYSA-N -1 3 295.298 3.255 20 0 CGADHM COC(=O)c1cc(Nc2c(Cl)ccc([O-])c2F)cn1C ZINC001214556459 815423344 /nfs/dbraw/zinc/42/33/44/815423344.db2.gz SVMLYEONNZRODT-UHFFFAOYSA-N -1 3 298.701 3.053 20 0 CGADHM [O-]c1ccc(Cl)c(Nc2cnncc2Cl)c1F ZINC001214556348 815423688 /nfs/dbraw/zinc/42/36/88/815423688.db2.gz PZOSWMSMBLBXQM-UHFFFAOYSA-N -1 3 274.082 3.372 20 0 CGADHM [O-]c1ccc(Cl)c(Nc2cccc(CO)c2)c1F ZINC001214561425 815424649 /nfs/dbraw/zinc/42/46/49/815424649.db2.gz LPBCFGLFQUWONF-UHFFFAOYSA-N -1 3 267.687 3.421 20 0 CGADHM [O-]c1ccc(Cl)c(Nc2ccccc2CO)c1F ZINC001214559704 815424140 /nfs/dbraw/zinc/42/41/40/815424140.db2.gz TWRWVUYXIHIJJR-UHFFFAOYSA-N -1 3 267.687 3.421 20 0 CGADHM Nc1cccc2cn(-c3c(Cl)ccc([O-])c3F)nc21 ZINC001214559256 815424906 /nfs/dbraw/zinc/42/49/06/815424906.db2.gz LBEQGMGQXGWRLN-UHFFFAOYSA-N -1 3 277.686 3.106 20 0 CGADHM CC(=O)c1cccc([O-])c1NC(=O)Oc1ccc(F)cc1 ZINC001195039622 811189264 /nfs/dbraw/zinc/18/92/64/811189264.db2.gz GBUVBOFVVPVDTG-UHFFFAOYSA-N -1 3 289.262 3.345 20 0 CGADHM CC[C@H](C)CNC(=S)Nc1nc2c(cccc2[O-])s1 ZINC001200240476 811649181 /nfs/dbraw/zinc/64/91/81/811649181.db2.gz GTGFLXHZCGDAOE-QMMMGPOBSA-N -1 3 295.433 3.334 20 0 CGADHM Cc1cc(CO)cc(C)c1Nc1ncc(Cl)cc1[O-] ZINC001214946316 815466608 /nfs/dbraw/zinc/46/66/08/815466608.db2.gz AHOBWPKIBNHLMI-UHFFFAOYSA-N -1 3 278.739 3.293 20 0 CGADHM Cc1cc(CO)cc(C)c1[N-]c1nnc(C(C)C)o1 ZINC001214944042 815466751 /nfs/dbraw/zinc/46/67/51/815466751.db2.gz KSOBFXNPTDTDDN-UHFFFAOYSA-N -1 3 261.325 3.046 20 0 CGADHM [O-]c1cc(NC(=S)NC2CCCCC2)ccc1F ZINC001200651372 811728676 /nfs/dbraw/zinc/72/86/76/811728676.db2.gz LKZRPGCHPCSLOI-UHFFFAOYSA-N -1 3 268.357 3.150 20 0 CGADHM COc1nc(C(C)C)ccc1Nc1ncc(F)cc1[O-] ZINC001201437391 811845823 /nfs/dbraw/zinc/84/58/23/811845823.db2.gz UMGSXCCHTIFTNB-UHFFFAOYSA-N -1 3 277.299 3.197 20 0 CGADHM O=C([O-])c1cc(Nc2ccnc(C3CCC3)c2)cnc1F ZINC001215105123 815482396 /nfs/dbraw/zinc/48/23/96/815482396.db2.gz LENDACGHHBFMMZ-UHFFFAOYSA-N -1 3 287.294 3.325 20 0 CGADHM O=C1CCc2ccc(-c3noc(-c4ccc([O-])cc4)n3)cc21 ZINC001215203845 815494584 /nfs/dbraw/zinc/49/45/84/815494584.db2.gz AYNVQNGEHBULNF-UHFFFAOYSA-N -1 3 292.294 3.238 20 0 CGADHM CCOc1ccccc1NC(=O)Nc1nc(C)ccc1[O-] ZINC001202137179 812022560 /nfs/dbraw/zinc/02/25/60/812022560.db2.gz XTZFJPMNEXEQIR-UHFFFAOYSA-N -1 3 287.319 3.138 20 0 CGADHM COc1ccc(NC(=O)Nc2ccc(F)c([O-])c2)cc1 ZINC001202395262 812084405 /nfs/dbraw/zinc/08/44/05/812084405.db2.gz UUTAFEBCFVIHJU-UHFFFAOYSA-N -1 3 276.267 3.184 20 0 CGADHM O=C(NCc1ccccc1)Nc1c([O-])cccc1Cl ZINC001202633956 812142674 /nfs/dbraw/zinc/14/26/74/812142674.db2.gz PKKVMEQTQPTKKX-UHFFFAOYSA-N -1 3 276.723 3.367 20 0 CGADHM CC(=O)c1cc(-c2nc(-c3cc(C)ccn3)no2)ccc1[O-] ZINC001215364807 815510019 /nfs/dbraw/zinc/51/00/19/815510019.db2.gz DBZNWCYZWBBWFO-UHFFFAOYSA-N -1 3 295.298 3.015 20 0 CGADHM CNc1ccc(Nc2cccc([O-])c2Br)cn1 ZINC001203461909 812369551 /nfs/dbraw/zinc/36/95/51/812369551.db2.gz FBTGMRPHPYLXJT-UHFFFAOYSA-N -1 3 294.152 3.335 20 0 CGADHM [O-]c1cc(Nc2cc3n[nH]cc3c(F)c2)c(F)cc1F ZINC001215555201 815532940 /nfs/dbraw/zinc/53/29/40/815532940.db2.gz DYJOXLKLIRSPBR-UHFFFAOYSA-N -1 3 279.221 3.429 20 0 CGADHM [O-]c1cc(F)c(Nc2ccc(F)nc2F)cc1F ZINC001215572362 815537698 /nfs/dbraw/zinc/53/76/98/815537698.db2.gz UQBPGTBBRJPSGT-UHFFFAOYSA-N -1 3 258.174 3.087 20 0 CGADHM Cc1nc(Nc2cc(OC(C)C)ccc2C)cc(=O)[n-]1 ZINC001215583365 815542271 /nfs/dbraw/zinc/54/22/71/815542271.db2.gz OQARRHKOCHXSEW-UHFFFAOYSA-N -1 3 273.336 3.330 20 0 CGADHM COc1cc(F)c(Nc2ncc(Cl)cc2[O-])cc1OC ZINC001215717775 815565116 /nfs/dbraw/zinc/56/51/16/815565116.db2.gz RNMODLGHSFZODV-UHFFFAOYSA-N -1 3 298.701 3.341 20 0 CGADHM c1nn2cccnc2c1[N-]c1nc2ccccc2s1 ZINC001205940112 813142945 /nfs/dbraw/zinc/14/29/45/813142945.db2.gz CCBNVLDRVUHCOA-UHFFFAOYSA-N -1 3 267.317 3.083 20 0 CGADHM Cc1nc(-c2ccncc2)cc(-c2ccc([O-])cc2F)n1 ZINC001206044497 813179346 /nfs/dbraw/zinc/17/93/46/813179346.db2.gz OFYJAJHMVWDSDH-UHFFFAOYSA-N -1 3 281.290 3.359 20 0 CGADHM CC(C)(C)c1nc2c(ncnc2-c2ccc([O-])cc2F)[nH]1 ZINC001206044449 813179555 /nfs/dbraw/zinc/17/95/55/813179555.db2.gz LVVSGDYCCHTXIL-UHFFFAOYSA-N -1 3 286.310 3.162 20 0 CGADHM [O-]c1ccc(-c2ncc(-c3cccnc3)cn2)c(F)c1 ZINC001206044951 813179593 /nfs/dbraw/zinc/17/95/93/813179593.db2.gz USIZXYGXVBEQDZ-UHFFFAOYSA-N -1 3 267.263 3.050 20 0 CGADHM Cc1nc(C2CC2)nc(-c2ccc([O-])cc2F)c1F ZINC001206044316 813179643 /nfs/dbraw/zinc/17/96/43/813179643.db2.gz JPVSKTIHXBKUCI-UHFFFAOYSA-N -1 3 262.259 3.313 20 0 CGADHM [O-]c1ccc(-c2ccc(-c3ccccn3)nn2)c(F)c1 ZINC001206044020 813179781 /nfs/dbraw/zinc/17/97/81/813179781.db2.gz BUUKWWOFYNCKEH-UHFFFAOYSA-N -1 3 267.263 3.050 20 0 CGADHM C[C@@H]1CCc2nnc(-c3ccc([O-])cc3F)cc2C1 ZINC001206044651 813179807 /nfs/dbraw/zinc/17/98/07/813179807.db2.gz QQTXQAQCCFPPJF-SECBINFHSA-N -1 3 258.296 3.113 20 0 CGADHM [O-]c1ccc(-c2ccc(-c3ncccn3)cn2)c(F)c1 ZINC001206057449 813184500 /nfs/dbraw/zinc/18/45/00/813184500.db2.gz CYPBURXECNDFQA-UHFFFAOYSA-N -1 3 267.263 3.050 20 0 CGADHM COc1cc(OC)c(-c2ccc([O-])cc2F)c(OC)c1 ZINC001206064862 813188275 /nfs/dbraw/zinc/18/82/75/813188275.db2.gz QXTOCPHOUDBPPE-UHFFFAOYSA-N -1 3 278.279 3.224 20 0 CGADHM [O-]c1ccc(-c2c3ncnn3ccc2C(F)(F)F)c(F)c1 ZINC001206088903 813197463 /nfs/dbraw/zinc/19/74/63/813197463.db2.gz SGPPIHQZQYKHJJ-UHFFFAOYSA-N -1 3 297.211 3.260 20 0 CGADHM Cc1ccc(Nc2cc([O-])c(F)cc2F)c(O)c1 ZINC001206281737 813270201 /nfs/dbraw/zinc/27/02/01/813270201.db2.gz BOTMPBAALAVRDL-UHFFFAOYSA-N -1 3 251.232 3.428 20 0 CGADHM C[C@@H]1[C@H](C)CN(Cc2ncc(Br)cc2[O-])[C@H]1C ZINC001206342825 813295396 /nfs/dbraw/zinc/29/53/96/813295396.db2.gz MKUCCBYLISESGG-BBBLOLIVSA-N -1 3 299.212 3.026 20 0 CGADHM [O-]c1cc(Nc2cc(O)cc(F)c2)c(F)cc1F ZINC001206822097 813444862 /nfs/dbraw/zinc/44/48/62/813444862.db2.gz FSFXRGQBAGRXTG-UHFFFAOYSA-N -1 3 255.195 3.259 20 0 CGADHM [O-]c1c(F)cc(Nc2cc(O)cc(F)c2)cc1F ZINC001206822784 813446604 /nfs/dbraw/zinc/44/66/04/813446604.db2.gz PMMVINUIQOJMHV-UHFFFAOYSA-N -1 3 255.195 3.259 20 0 CGADHM CCCCOc1cccc(Nc2cc(=O)[n-]c(C)n2)c1 ZINC001208621737 813776998 /nfs/dbraw/zinc/77/69/98/813776998.db2.gz TZJXHVSFZBWOMP-UHFFFAOYSA-N -1 3 273.336 3.413 20 0 CGADHM c1cc2cc(-c3ccccc3-c3nnn[n-]3)cnc2s1 ZINC001242679396 823098435 /nfs/dbraw/zinc/09/84/35/823098435.db2.gz UTJLPMZKFWZPBP-UHFFFAOYSA-N -1 3 279.328 3.143 20 0 CGADHM c1cc2cc(-c3ccccc3-c3nn[n-]n3)cnc2s1 ZINC001242679396 823098438 /nfs/dbraw/zinc/09/84/38/823098438.db2.gz UTJLPMZKFWZPBP-UHFFFAOYSA-N -1 3 279.328 3.143 20 0 CGADHM [O-]c1cc(Nc2ccc(F)c(CO)c2)c(F)cc1F ZINC001209878722 814185187 /nfs/dbraw/zinc/18/51/87/814185187.db2.gz QDMVXWFQORFAKP-UHFFFAOYSA-N -1 3 269.222 3.045 20 0 CGADHM Cc1cc(Cl)cc(Nc2ccc(C(N)=O)c([O-])c2)c1F ZINC001210026762 814251863 /nfs/dbraw/zinc/25/18/63/814251863.db2.gz DVWAKJDWJKEGQO-UHFFFAOYSA-N -1 3 294.713 3.336 20 0 CGADHM O=c1[n-]cncc1Nc1c(F)cccc1C(F)(F)F ZINC001210128084 814303143 /nfs/dbraw/zinc/30/31/43/814303143.db2.gz FBAQDKVSEAJYJI-UHFFFAOYSA-N -1 3 273.189 3.084 20 0 CGADHM O=C1NCCc2cc(Nc3cccc(Cl)c3[O-])ccc21 ZINC001210161618 814316265 /nfs/dbraw/zinc/31/62/65/814316265.db2.gz FXQGUTMKDOCFTL-UHFFFAOYSA-N -1 3 288.734 3.075 20 0 CGADHM Nc1ccc(Cl)nc1Nc1cccc(Cl)c1[O-] ZINC001210215506 814344728 /nfs/dbraw/zinc/34/47/28/814344728.db2.gz IAKFTMRRLNDQIZ-UHFFFAOYSA-N -1 3 270.119 3.420 20 0 CGADHM CN(C)c1cccnc1Nc1cccc(Cl)c1[O-] ZINC001210220046 814349427 /nfs/dbraw/zinc/34/94/27/814349427.db2.gz KHLPTUUNOIVXMU-UHFFFAOYSA-N -1 3 263.728 3.250 20 0 CGADHM [O-]c1c(Cl)cccc1Nc1cn(C2CCOCC2)cn1 ZINC001210220782 814349632 /nfs/dbraw/zinc/34/96/32/814349632.db2.gz RIDPBLQLIWLNNG-UHFFFAOYSA-N -1 3 293.754 3.337 20 0 CGADHM Cc1cn(-c2cccc(Cl)c2[O-])c2ncc(N)cc12 ZINC001210221258 814349720 /nfs/dbraw/zinc/34/97/20/814349720.db2.gz ZWAWRFZRJPPRTB-UHFFFAOYSA-N -1 3 273.723 3.275 20 0 CGADHM NC(=O)c1ccc(F)c(Nc2cccc(Cl)c2[O-])c1 ZINC001210222939 814351402 /nfs/dbraw/zinc/35/14/02/814351402.db2.gz FAUZYUCSJXMSSM-UHFFFAOYSA-N -1 3 280.686 3.027 20 0 CGADHM CCOc1ccc(-c2cc([N-]c3ccn(C)n3)on2)cc1 ZINC001210348031 814416307 /nfs/dbraw/zinc/41/63/07/814416307.db2.gz OCFWCAVGHXWVRZ-UHFFFAOYSA-N -1 3 284.319 3.217 20 0 CGADHM CCOC(=O)c1nc(C)oc1[N-]c1ccc2ccccc2n1 ZINC001210814238 814641175 /nfs/dbraw/zinc/64/11/75/814641175.db2.gz RGUBHKJQNWKNDV-UHFFFAOYSA-N -1 3 297.314 3.452 20 0 CGADHM [O-]c1cccc(Nc2nccnc2Cl)c1Cl ZINC001210844452 814649275 /nfs/dbraw/zinc/64/92/75/814649275.db2.gz IHXIGQKXLVTLBJ-UHFFFAOYSA-N -1 3 256.092 3.233 20 0 CGADHM Nc1nc2ccccc2nc1Nc1cccc([O-])c1Cl ZINC001210852009 814651054 /nfs/dbraw/zinc/65/10/54/814651054.db2.gz REPJUIRFNPHKOC-UHFFFAOYSA-N -1 3 286.722 3.315 20 0 CGADHM N=c1ccc2c(N)cccc2n1-c1cccc([O-])c1Cl ZINC001210860072 814655109 /nfs/dbraw/zinc/65/51/09/814655109.db2.gz SNPDZXYOOBRFNY-UHFFFAOYSA-N -1 3 285.734 3.051 20 0 CGADHM Cc1cccc(C(N)=O)c1Nc1cccc([O-])c1Cl ZINC001210860528 814655371 /nfs/dbraw/zinc/65/53/71/814655371.db2.gz WWIKVWHIHFRCGE-UHFFFAOYSA-N -1 3 276.723 3.197 20 0 CGADHM Cc1cc(-c2nnn[n-]2)ccc1-c1ccccc1OC1CC1 ZINC001242794316 823134118 /nfs/dbraw/zinc/13/41/18/823134118.db2.gz GARPKZZSWNXJJB-UHFFFAOYSA-N -1 3 292.342 3.383 20 0 CGADHM Cc1cc(-c2nn[n-]n2)ccc1-c1ccccc1OC1CC1 ZINC001242794316 823134122 /nfs/dbraw/zinc/13/41/22/823134122.db2.gz GARPKZZSWNXJJB-UHFFFAOYSA-N -1 3 292.342 3.383 20 0 CGADHM COCc1cncc([N-]c2nc(C(C)(C)C)ns2)c1 ZINC001211074527 814733174 /nfs/dbraw/zinc/73/31/74/814733174.db2.gz MNHMQKNEROFSFN-UHFFFAOYSA-N -1 3 278.381 3.121 20 0 CGADHM Cc1ccc(OC(C)C)c(Nc2cnc(C)[n-]c2=O)c1 ZINC001211277199 814868354 /nfs/dbraw/zinc/86/83/54/814868354.db2.gz CZNMMOXLOLRQNF-UHFFFAOYSA-N -1 3 273.336 3.330 20 0 CGADHM COc1cc(Nc2ncc(F)cc2[O-])ccc1OC(C)C ZINC001216244592 815754361 /nfs/dbraw/zinc/75/43/61/815754361.db2.gz QQQBXNWFFFUFEF-UHFFFAOYSA-N -1 3 292.310 3.466 20 0 CGADHM Cc1cc([O-])c(-c2nc(-c3ccccc3)no2)c(O)c1 ZINC001216267675 815761849 /nfs/dbraw/zinc/76/18/49/815761849.db2.gz QLDBSRRJMVRDFT-UHFFFAOYSA-N -1 3 268.272 3.123 20 0 CGADHM COc1c(F)cc(SC)cc1Nc1cnc(C)[n-]c1=O ZINC001216581754 815863470 /nfs/dbraw/zinc/86/34/70/815863470.db2.gz MWUAUNODBYGQTM-UHFFFAOYSA-N -1 3 295.339 3.104 20 0 CGADHM CCCOc1ccc([N-]c2nnc(C(C)(C)C)o2)cn1 ZINC001216584403 815863872 /nfs/dbraw/zinc/86/38/72/815863872.db2.gz QBCVYQIPXZYKIT-UHFFFAOYSA-N -1 3 276.340 3.295 20 0 CGADHM COc1c(C(=O)[O-])cccc1-c1ccc2c(c1)CN(C)CC2 ZINC001242926318 823174652 /nfs/dbraw/zinc/17/46/52/823174652.db2.gz IFRPZQPAARCZCK-UHFFFAOYSA-N -1 3 297.354 3.048 20 0 CGADHM Clc1ccccc1-c1ccc(Cc2nnn[n-]2)cc1 ZINC001222440770 816446324 /nfs/dbraw/zinc/44/63/24/816446324.db2.gz KIYTUECWBACODZ-UHFFFAOYSA-N -1 3 270.723 3.111 20 0 CGADHM Clc1ccccc1-c1ccc(Cc2nn[n-]n2)cc1 ZINC001222440770 816446328 /nfs/dbraw/zinc/44/63/28/816446328.db2.gz KIYTUECWBACODZ-UHFFFAOYSA-N -1 3 270.723 3.111 20 0 CGADHM COc1cc(F)c(-c2ccc(F)c([O-])c2)c(OC)c1 ZINC001243046947 823224292 /nfs/dbraw/zinc/22/42/92/823224292.db2.gz BFOFLIGJNITLQF-UHFFFAOYSA-N -1 3 266.243 3.355 20 0 CGADHM CCSc1cncc(-c2ccc(F)c([O-])c2)n1 ZINC001243047828 823224853 /nfs/dbraw/zinc/22/48/53/823224853.db2.gz AQSYRCNMBLCFES-UHFFFAOYSA-N -1 3 250.298 3.100 20 0 CGADHM CCOc1ccc(-c2ccc(F)c([O-])c2)c(OCC)n1 ZINC001243047405 823224917 /nfs/dbraw/zinc/22/49/17/823224917.db2.gz RVDRNZBZIXWPAB-UHFFFAOYSA-N -1 3 277.295 3.391 20 0 CGADHM COc1c(F)cc(F)cc1-c1ccc(F)c([O-])c1 ZINC001243048931 823225740 /nfs/dbraw/zinc/22/57/40/823225740.db2.gz KASDNJJBBSAXJR-UHFFFAOYSA-N -1 3 254.207 3.485 20 0 CGADHM COc1cc(-n2ccnc2)ccc1-c1ccc(F)c([O-])c1 ZINC001243049771 823227092 /nfs/dbraw/zinc/22/70/92/823227092.db2.gz FLBZAUYPCKNZKU-UHFFFAOYSA-N -1 3 284.290 3.393 20 0 CGADHM COc1ncc2cc[nH]c2c1-c1ccc(F)c([O-])c1 ZINC001243051644 823228334 /nfs/dbraw/zinc/22/83/34/823228334.db2.gz PGOTVOMRIQVOTD-UHFFFAOYSA-N -1 3 258.252 3.083 20 0 CGADHM COc1cnc(-c2ccc(F)c([O-])c2)c2[nH]ccc21 ZINC001243050621 823227938 /nfs/dbraw/zinc/22/79/38/823227938.db2.gz YBUDTQAKGKHWJQ-UHFFFAOYSA-N -1 3 258.252 3.083 20 0 CGADHM Cc1cccc2ncc(-c3ccc(F)c([O-])c3)nc12 ZINC001243053900 823228900 /nfs/dbraw/zinc/22/89/00/823228900.db2.gz IFBCBZBMDSTCKI-UHFFFAOYSA-N -1 3 254.264 3.450 20 0 CGADHM Nc1cnc2c(cccc2-c2ccc(F)c([O-])c2)c1 ZINC001243063160 823232836 /nfs/dbraw/zinc/23/28/36/823232836.db2.gz UJGNDBNXZKRRRM-UHFFFAOYSA-N -1 3 254.264 3.329 20 0 CGADHM F[C@H]1CCCC[C@@H]1Oc1cc(C(F)(F)F)[n-]c(=S)n1 ZINC001225850827 817196473 /nfs/dbraw/zinc/19/64/73/817196473.db2.gz OPHNNICQDUTWBC-BQBZGAKWSA-N -1 3 296.289 3.444 20 0 CGADHM CC(=O)c1ccc([O-])c(O[C@@H](C)c2ncccc2F)c1 ZINC001225993683 817241766 /nfs/dbraw/zinc/24/17/66/817241766.db2.gz JLGJCXDKWAOHFY-JTQLQIEISA-N -1 3 275.279 3.269 20 0 CGADHM CC(=O)c1ccc([O-])c(O[C@@H]2CC(F)(F)C2(F)F)c1 ZINC001225993051 817241867 /nfs/dbraw/zinc/24/18/67/817241867.db2.gz CYWPHEHEXKTYGM-SNVBAGLBSA-N -1 3 278.201 3.017 20 0 CGADHM Cc1c(O[C@@H](c2ccccc2)c2ccccn2)nc[n-]c1=O ZINC001226075583 817265707 /nfs/dbraw/zinc/26/57/07/817265707.db2.gz IFWHJMRLHMFMOT-HNNXBMFYSA-N -1 3 293.326 3.054 20 0 CGADHM C[C@H](Oc1[n-]c(=S)ncc1C1CC1)c1cccnc1 ZINC001226117905 817278413 /nfs/dbraw/zinc/27/84/13/817278413.db2.gz XISSVNSJOHZUCB-VIFPVBQESA-N -1 3 273.361 3.178 20 0 CGADHM CCCOc1ccccc1-c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001243125719 823255917 /nfs/dbraw/zinc/25/59/17/823255917.db2.gz AASWXYTXBXSMEW-UHFFFAOYSA-N -1 3 298.321 3.462 20 0 CGADHM CCCOc1ccccc1-c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001243125719 823255919 /nfs/dbraw/zinc/25/59/19/823255919.db2.gz AASWXYTXBXSMEW-UHFFFAOYSA-N -1 3 298.321 3.462 20 0 CGADHM CCc1nc(O[C@H](c2ccccc2)C2CC2)cc(=O)[n-]1 ZINC001226472829 817369006 /nfs/dbraw/zinc/36/90/06/817369006.db2.gz NXNSAMPMOAAJPZ-MRXNPFEDSA-N -1 3 270.332 3.275 20 0 CGADHM CC(=O)c1ccc([O-])c(O[C@H]2CCCc3cccnc32)c1O ZINC001226479770 817369721 /nfs/dbraw/zinc/36/97/21/817369721.db2.gz UDIFXXWCRCIYGJ-AWEZNQCLSA-N -1 3 299.326 3.152 20 0 CGADHM CC[C@@H](C)[C@H](C)Oc1c([O-])ccc(C(C)=O)c1O ZINC001226481558 817371712 /nfs/dbraw/zinc/37/17/12/817371712.db2.gz GXXVGCGDMGKTCL-SCZZXKLOSA-N -1 3 252.310 3.114 20 0 CGADHM COc1ccc([C@H](Oc2cc(=O)[n-]c(C)n2)C(C)C)cc1 ZINC001226510237 817378715 /nfs/dbraw/zinc/37/87/15/817378715.db2.gz JWIIKVZQJZKUMS-MRXNPFEDSA-N -1 3 288.347 3.275 20 0 CGADHM COc1ccc([C@@H](Oc2cc(=O)[n-]c(C)n2)C(C)C)cc1 ZINC001226510236 817379417 /nfs/dbraw/zinc/37/94/17/817379417.db2.gz JWIIKVZQJZKUMS-INIZCTEOSA-N -1 3 288.347 3.275 20 0 CGADHM CC[C@@H](Oc1cc(=O)[n-]c(C)n1)c1cccc(F)c1C ZINC001226510743 817380740 /nfs/dbraw/zinc/38/07/40/817380740.db2.gz PCANEHDDQVZRGL-CYBMUJFWSA-N -1 3 276.311 3.468 20 0 CGADHM CCCC[C@H](C)Oc1c([O-])ccc2ccc(=O)oc21 ZINC001226597256 817409205 /nfs/dbraw/zinc/40/92/05/817409205.db2.gz SGVCOKJZMTWMEZ-JTQLQIEISA-N -1 3 262.305 3.456 20 0 CGADHM Cc1cn2c(n1)[C@H](Oc1cccc([O-])c1Cl)CCC2 ZINC001226709035 817440967 /nfs/dbraw/zinc/44/09/67/817440967.db2.gz KTTIITDUIMLCLR-GFCCVEGCSA-N -1 3 278.739 3.464 20 0 CGADHM CO[C@@H](C)CCOc1cc(-c2ccccc2)nc(=S)[n-]1 ZINC001228346590 817883992 /nfs/dbraw/zinc/88/39/92/817883992.db2.gz KUFPWQJKOCXDES-NSHDSACASA-N -1 3 290.388 3.236 20 0 CGADHM Cc1cc(=O)oc2c1ccc([O-])c2O[C@@H](C)c1ccncc1 ZINC001228623187 817956468 /nfs/dbraw/zinc/95/64/68/817956468.db2.gz POEVXPDRMDBJMT-NSHDSACASA-N -1 3 297.310 3.342 20 0 CGADHM C[C@@H]1C[C@H](Oc2nnc(-c3cccnc3)[n-]2)CC(C)(C)C1 ZINC001228694794 817975120 /nfs/dbraw/zinc/97/51/20/817975120.db2.gz FVVWJNUUHCIHRQ-YPMHNXCESA-N -1 3 286.379 3.460 20 0 CGADHM C[C@@H]1C[C@H](Oc2nc(-c3cccnc3)n[n-]2)CC(C)(C)C1 ZINC001228694794 817975125 /nfs/dbraw/zinc/97/51/25/817975125.db2.gz FVVWJNUUHCIHRQ-YPMHNXCESA-N -1 3 286.379 3.460 20 0 CGADHM C[C@@H]1C[C@H](Oc2n[n-]c(-c3cccnc3)n2)CC(C)(C)C1 ZINC001228694794 817975133 /nfs/dbraw/zinc/97/51/33/817975133.db2.gz FVVWJNUUHCIHRQ-YPMHNXCESA-N -1 3 286.379 3.460 20 0 CGADHM C[C@@H]1CCC[C@@H](C)C1Oc1cccc(-c2nnn[n-]2)c1 ZINC001231117528 818034583 /nfs/dbraw/zinc/03/45/83/818034583.db2.gz CIZOODRSUDMNQJ-GHMZBOCLSA-N -1 3 272.352 3.070 20 0 CGADHM C[C@@H]1CCC[C@@H](C)C1Oc1cccc(-c2nn[n-]n2)c1 ZINC001231117528 818034587 /nfs/dbraw/zinc/03/45/87/818034587.db2.gz CIZOODRSUDMNQJ-GHMZBOCLSA-N -1 3 272.352 3.070 20 0 CGADHM CC[C@H]1CCCC[C@@H]1Oc1cccc(-c2nnn[n-]2)c1 ZINC001231118962 818035764 /nfs/dbraw/zinc/03/57/64/818035764.db2.gz XMSQFVXJTQYKKJ-FZMZJTMJSA-N -1 3 272.352 3.214 20 0 CGADHM CC[C@H]1CCCC[C@@H]1Oc1cccc(-c2nn[n-]n2)c1 ZINC001231118962 818035768 /nfs/dbraw/zinc/03/57/68/818035768.db2.gz XMSQFVXJTQYKKJ-FZMZJTMJSA-N -1 3 272.352 3.214 20 0 CGADHM CC(C)OC1CCN(Cc2ccc(Cl)c([O-])c2)CC1 ZINC001231733790 818161475 /nfs/dbraw/zinc/16/14/75/818161475.db2.gz HPBIXXSWELTLBD-UHFFFAOYSA-N -1 3 283.799 3.435 20 0 CGADHM C[C@@]1(CF)CCN(Cc2cccc([O-])c2Cl)C1 ZINC001232783768 818437874 /nfs/dbraw/zinc/43/78/74/818437874.db2.gz AWDPNBCRTRQFSA-ZDUSSCGKSA-N -1 3 257.736 3.227 20 0 CGADHM [O-]c1cccc(CN2CCCC(F)(F)[C@H](F)C2)c1F ZINC001233050187 818509883 /nfs/dbraw/zinc/50/98/83/818509883.db2.gz LRYAQGNTMKFBOH-LLVKDONJSA-N -1 3 277.261 3.101 20 0 CGADHM CN(Cc1ccc(F)cc1)Cc1cccc([O-])c1F ZINC001233051047 818511257 /nfs/dbraw/zinc/51/12/57/818511257.db2.gz ZGWVPFVSACMEPE-UHFFFAOYSA-N -1 3 263.287 3.302 20 0 CGADHM C[C@@]1(F)CCCN(Cc2c(F)ccc([O-])c2F)CC1 ZINC001233393298 818609230 /nfs/dbraw/zinc/60/92/30/818609230.db2.gz NBXSEEOONQUSSF-CQSZACIVSA-N -1 3 273.298 3.385 20 0 CGADHM C[C@]1(F)CCCCN(Cc2c(F)ccc([O-])c2F)C1 ZINC001233394001 818609241 /nfs/dbraw/zinc/60/92/41/818609241.db2.gz VVVLUNPOOWSMNM-AWEZNQCLSA-N -1 3 273.298 3.385 20 0 CGADHM COC(=O)[C@@H]1C[C@H](Oc2cc(Cl)c([O-])cc2C)C1(C)C ZINC001233595845 818653661 /nfs/dbraw/zinc/65/36/61/818653661.db2.gz UYRDRASEYLBUDH-ZANVPECISA-N -1 3 298.766 3.321 20 0 CGADHM [O-]c1coc2ccc(O[C@@H]3CCOc4ccccc43)cc12 ZINC001233677120 818677597 /nfs/dbraw/zinc/67/75/97/818677597.db2.gz FVXBTQFUXLGKOU-QGZVFWFLSA-N -1 3 282.295 3.164 20 0 CGADHM COc1cccc([C@@H](C)Oc2ccc3occ([O-])c3c2)c1 ZINC001233678493 818678566 /nfs/dbraw/zinc/67/85/66/818678566.db2.gz UOFIUXHWADEAAL-LLVKDONJSA-N -1 3 284.311 3.410 20 0 CGADHM [O-]c1coc2ccc(O[C@@H](c3cccnc3)C3CC3)cc12 ZINC001233681302 818679070 /nfs/dbraw/zinc/67/90/70/818679070.db2.gz TYEODTLOWDYLGY-QGZVFWFLSA-N -1 3 281.311 3.187 20 0 CGADHM C[C@H]1C[C@H](Oc2c(Cl)ccc([O-])c2F)CCO1 ZINC001234263149 818820103 /nfs/dbraw/zinc/82/01/03/818820103.db2.gz SRTSRRJFTVESGU-JGVFFNPUSA-N -1 3 260.692 3.131 20 0 CGADHM C[C@H](Oc1c(Cl)ccc([O-])c1F)c1ncccn1 ZINC001234263874 818821233 /nfs/dbraw/zinc/82/12/33/818821233.db2.gz JYOWNTYUNGWXJM-ZETCQYMHSA-N -1 3 268.675 3.115 20 0 CGADHM COC[C@@H](C)OC[C@H](C)Oc1c([O-])cc(Cl)cc1F ZINC001234443497 818856499 /nfs/dbraw/zinc/85/64/99/818856499.db2.gz HOMLPCUGEZUITF-BDAKNGLRSA-N -1 3 292.734 3.004 20 0 CGADHM [O-]c1cc(Cl)cc(F)c1OC[C@H]1CCCCO1 ZINC001234447011 818857547 /nfs/dbraw/zinc/85/75/47/818857547.db2.gz IFJILROOXMJWJK-SECBINFHSA-N -1 3 260.692 3.133 20 0 CGADHM CCC[C@H](C)Oc1nc[n-]c(=O)c1-c1ccccc1 ZINC001234689266 818916119 /nfs/dbraw/zinc/91/61/19/818916119.db2.gz PNDRTSKESKCLNV-NSHDSACASA-N -1 3 258.321 3.417 20 0 CGADHM COc1cc([O-])c(C)c(O[C@@H](C)C(F)(F)F)c1C(C)=O ZINC001234790350 818924558 /nfs/dbraw/zinc/92/45/58/818924558.db2.gz GPOYXEGKPIQDKA-QMMMGPOBSA-N -1 3 292.253 3.241 20 0 CGADHM Cc1ccc([C@H](C)Oc2nc3ccsc3[n-]2)cn1 ZINC001234848289 818931846 /nfs/dbraw/zinc/93/18/46/818931846.db2.gz OVHZPRRABNGAQH-VIFPVBQESA-N -1 3 259.334 3.468 20 0 CGADHM Cc1ccc([C@H](C)Oc2nc3sccc3[n-]2)cn1 ZINC001234848289 818931852 /nfs/dbraw/zinc/93/18/52/818931852.db2.gz OVHZPRRABNGAQH-VIFPVBQESA-N -1 3 259.334 3.468 20 0 CGADHM c1cc2nc(O[C@H]3COCc4ccccc43)[n-]c2s1 ZINC001234849136 818933063 /nfs/dbraw/zinc/93/30/63/818933063.db2.gz YOFUSEGHIURWFH-LBPRGKRZSA-N -1 3 272.329 3.275 20 0 CGADHM c1cc2nc(OC[C@H]3Cc4ccccc4O3)[n-]c2s1 ZINC001234851090 818933399 /nfs/dbraw/zinc/93/33/99/818933399.db2.gz DLMRXPDEJSTPAO-SNVBAGLBSA-N -1 3 272.329 3.007 20 0 CGADHM c1cc2[n-]c(OC[C@H]3Cc4ccccc4O3)nc2s1 ZINC001234851090 818933403 /nfs/dbraw/zinc/93/34/03/818933403.db2.gz DLMRXPDEJSTPAO-SNVBAGLBSA-N -1 3 272.329 3.007 20 0 CGADHM CSc1ccnc(-c2cc([O-])cc(Cl)c2)n1 ZINC001235899758 819208973 /nfs/dbraw/zinc/20/89/73/819208973.db2.gz KBLMYKDXNCHZTA-UHFFFAOYSA-N -1 3 252.726 3.225 20 0 CGADHM COc1cnc(-c2cc([O-])cc(Cl)c2)nc1NC1CC1 ZINC001235900659 819210693 /nfs/dbraw/zinc/21/06/93/819210693.db2.gz VLKJMWVGJFKDJO-UHFFFAOYSA-N -1 3 291.738 3.086 20 0 CGADHM [O-]c1c(F)cc(F)c(-c2ccc3cncn3c2)c1F ZINC001235996518 819265365 /nfs/dbraw/zinc/26/53/65/819265365.db2.gz VTQJGKXHLMAESZ-UHFFFAOYSA-N -1 3 264.206 3.124 20 0 CGADHM S=c1ccc(-c2ccc(-c3ccncc3)cc2)n[n-]1 ZINC001236037099 819279159 /nfs/dbraw/zinc/27/91/59/819279159.db2.gz VYDDVXBALZHRTO-UHFFFAOYSA-N -1 3 265.341 3.494 20 0 CGADHM CC(C)Nc1ccc(-c2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC001236488936 819500421 /nfs/dbraw/zinc/50/04/21/819500421.db2.gz KXTLGFFSLZVVKP-UHFFFAOYSA-N -1 3 297.337 3.493 20 0 CGADHM CC(C)Nc1ccc(-c2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC001236488936 819500424 /nfs/dbraw/zinc/50/04/24/819500424.db2.gz KXTLGFFSLZVVKP-UHFFFAOYSA-N -1 3 297.337 3.493 20 0 CGADHM CC(C)Nc1ccc(-c2ccc(Cc3nnn[n-]3)cc2)cc1 ZINC001236489628 819500609 /nfs/dbraw/zinc/50/06/09/819500609.db2.gz VBGFEHDMFBNUFY-UHFFFAOYSA-N -1 3 293.374 3.278 20 0 CGADHM CC(C)Nc1ccc(-c2ccc(Cc3nn[n-]n3)cc2)cc1 ZINC001236489628 819500614 /nfs/dbraw/zinc/50/06/14/819500614.db2.gz VBGFEHDMFBNUFY-UHFFFAOYSA-N -1 3 293.374 3.278 20 0 CGADHM CC(C)Nc1ccc(-c2cc(F)cc(-c3nnn[n-]3)c2)cc1 ZINC001236487593 819500915 /nfs/dbraw/zinc/50/09/15/819500915.db2.gz ZHXWBENUUKSLJP-UHFFFAOYSA-N -1 3 297.337 3.493 20 0 CGADHM CC(C)Nc1ccc(-c2cc(F)cc(-c3nn[n-]n3)c2)cc1 ZINC001236487593 819500918 /nfs/dbraw/zinc/50/09/18/819500918.db2.gz ZHXWBENUUKSLJP-UHFFFAOYSA-N -1 3 297.337 3.493 20 0 CGADHM CN(Cc1ccsc1)Cc1ccc(F)c([O-])c1 ZINC001236704834 819576414 /nfs/dbraw/zinc/57/64/14/819576414.db2.gz FRYIEXHVBCTKNH-UHFFFAOYSA-N -1 3 251.326 3.225 20 0 CGADHM [O-]c1cc(CN2CC[C@H](F)C(F)(F)CC2)ccc1F ZINC001236703281 819577198 /nfs/dbraw/zinc/57/71/98/819577198.db2.gz MQPYWHGHQADPFE-LBPRGKRZSA-N -1 3 277.261 3.101 20 0 CGADHM COc1ccc2c(c1)CN(Cc1ccc(F)c([O-])c1)C2 ZINC001236704429 819577352 /nfs/dbraw/zinc/57/73/52/819577352.db2.gz AMMJFPHAUBNPNF-UHFFFAOYSA-N -1 3 273.307 3.056 20 0 CGADHM [O-]c1cc(CN2CCC[C@H]2C(F)(F)F)ccc1F ZINC001236703890 819577566 /nfs/dbraw/zinc/57/75/66/819577566.db2.gz RVIAKBVGOKNTJA-NSHDSACASA-N -1 3 263.234 3.058 20 0 CGADHM Cc1cc(-c2nnn[n-]2)ccc1-c1cc(Cl)ccc1N ZINC001243488530 823419831 /nfs/dbraw/zinc/41/98/31/823419831.db2.gz SXUHCEQEWKWVPJ-UHFFFAOYSA-N -1 3 285.738 3.078 20 0 CGADHM Cc1cc(-c2nn[n-]n2)ccc1-c1cc(Cl)ccc1N ZINC001243488530 823419833 /nfs/dbraw/zinc/41/98/33/823419833.db2.gz SXUHCEQEWKWVPJ-UHFFFAOYSA-N -1 3 285.738 3.078 20 0 CGADHM F[C@H]1CN(Cc2occc2[S-])CCCC1(F)F ZINC001237182193 819688916 /nfs/dbraw/zinc/68/89/16/819688916.db2.gz RKJKJGVYMKVUBP-JTQLQIEISA-N -1 3 265.300 3.138 20 0 CGADHM [S-]c1ccoc1CN1CCO[C@H](c2ccccc2)C1 ZINC001237187398 819692891 /nfs/dbraw/zinc/69/28/91/819692891.db2.gz AYNWUFYVQKAVKG-ZDUSSCGKSA-N -1 3 275.373 3.142 20 0 CGADHM COc1cccc2c1CN(Cc1cc([O-])cc(F)c1)C2 ZINC001237283443 819717270 /nfs/dbraw/zinc/71/72/70/819717270.db2.gz LHBNKGAJBTUMHF-UHFFFAOYSA-N -1 3 273.307 3.056 20 0 CGADHM CCOc1c(F)cccc1-c1ccc(C)c(-c2nnn[n-]2)c1 ZINC001243536868 823433663 /nfs/dbraw/zinc/43/36/63/823433663.db2.gz PCYYTGMPWZTPFZ-UHFFFAOYSA-N -1 3 298.321 3.380 20 0 CGADHM CCOc1c(F)cccc1-c1ccc(C)c(-c2nn[n-]n2)c1 ZINC001243536868 823433667 /nfs/dbraw/zinc/43/36/67/823433667.db2.gz PCYYTGMPWZTPFZ-UHFFFAOYSA-N -1 3 298.321 3.380 20 0 CGADHM CCOC(=O)c1ccc(-c2cccc([O-])c2F)c(C)n1 ZINC001243548105 823440312 /nfs/dbraw/zinc/44/03/12/823440312.db2.gz ZJGJHIPYTLXJRT-UHFFFAOYSA-N -1 3 275.279 3.078 20 0 CGADHM COc1ccc2ncc(-c3cccc([O-])c3F)nc2c1 ZINC001243543650 823436549 /nfs/dbraw/zinc/43/65/49/823436549.db2.gz VNOWYHZDNNSBSZ-UHFFFAOYSA-N -1 3 270.263 3.150 20 0 CGADHM CSc1c[nH]c2ncnc(-c3cccc([O-])c3F)c12 ZINC001243544160 823437657 /nfs/dbraw/zinc/43/76/57/823437657.db2.gz MECCOYFWNRQKRI-UHFFFAOYSA-N -1 3 275.308 3.143 20 0 CGADHM O=c1cc(-c2cccc([O-])c2F)ccn1C1CCC1 ZINC001243545564 823438364 /nfs/dbraw/zinc/43/83/64/823438364.db2.gz FIYDWEIFKMFVOP-UHFFFAOYSA-N -1 3 259.280 3.085 20 0 CGADHM [O-]c1cccc(-c2cccc(CN3CCOCC3)c2)c1F ZINC001243547087 823439632 /nfs/dbraw/zinc/43/96/32/823439632.db2.gz LJKIWZMQEFAAQZ-UHFFFAOYSA-N -1 3 287.334 3.031 20 0 CGADHM c1oc2ccccc2c1-c1ccc(-c2nnn[n-]2)cc1 ZINC001239063239 820210074 /nfs/dbraw/zinc/21/00/74/820210074.db2.gz CXLZAZALZBSPQK-UHFFFAOYSA-N -1 3 262.272 3.280 20 0 CGADHM c1oc2ccccc2c1-c1ccc(-c2nn[n-]n2)cc1 ZINC001239063239 820210080 /nfs/dbraw/zinc/21/00/80/820210080.db2.gz CXLZAZALZBSPQK-UHFFFAOYSA-N -1 3 262.272 3.280 20 0 CGADHM COc1ncc(-c2ccc3c(c2)[N-]C(=S)C3)cc1F ZINC001239518570 820364996 /nfs/dbraw/zinc/36/49/96/820364996.db2.gz NPZKMCZGMXSXLA-UHFFFAOYSA-N -1 3 274.320 3.192 20 0 CGADHM Cn1cc(-c2cc(-c3nnn[n-]3)ccc2F)c2ccccc21 ZINC001239538344 820392490 /nfs/dbraw/zinc/39/24/90/820392490.db2.gz NHSIRJJRNPHLSV-UHFFFAOYSA-N -1 3 293.305 3.165 20 0 CGADHM Cn1cc(-c2cc(-c3nn[n-]n3)ccc2F)c2ccccc21 ZINC001239538344 820392498 /nfs/dbraw/zinc/39/24/98/820392498.db2.gz NHSIRJJRNPHLSV-UHFFFAOYSA-N -1 3 293.305 3.165 20 0 CGADHM CCc1ccc(-c2cc(F)cc(-c3nnn[n-]3)c2)cc1 ZINC001239588777 820437874 /nfs/dbraw/zinc/43/78/74/820437874.db2.gz WNYPRVPNMGFDAY-UHFFFAOYSA-N -1 3 268.295 3.235 20 0 CGADHM CCc1ccc(-c2cc(F)cc(-c3nn[n-]n3)c2)cc1 ZINC001239588777 820437878 /nfs/dbraw/zinc/43/78/78/820437878.db2.gz WNYPRVPNMGFDAY-UHFFFAOYSA-N -1 3 268.295 3.235 20 0 CGADHM COC(=O)c1nc2nc(-c3c(C)cccc3C)ccc2[n-]1 ZINC001239598693 820445053 /nfs/dbraw/zinc/44/50/53/820445053.db2.gz ZXBLDUUUMSDJFC-UHFFFAOYSA-N -1 3 281.315 3.028 20 0 CGADHM COC(=O)c1nc2ccc(-c3c(C)cccc3C)nc2[n-]1 ZINC001239598693 820445055 /nfs/dbraw/zinc/44/50/55/820445055.db2.gz ZXBLDUUUMSDJFC-UHFFFAOYSA-N -1 3 281.315 3.028 20 0 CGADHM CC(=O)c1ccc(-c2ccc(C)c(-c3nnn[n-]3)c2)cc1 ZINC001239633768 820478659 /nfs/dbraw/zinc/47/86/59/820478659.db2.gz UANCUWFOKRNLPA-UHFFFAOYSA-N -1 3 278.315 3.045 20 0 CGADHM CC(=O)c1ccc(-c2ccc(C)c(-c3nn[n-]n3)c2)cc1 ZINC001239633768 820478663 /nfs/dbraw/zinc/47/86/63/820478663.db2.gz UANCUWFOKRNLPA-UHFFFAOYSA-N -1 3 278.315 3.045 20 0 CGADHM Cc1cc(-c2nnn[n-]2)ccc1-c1cc(F)cc(F)c1 ZINC001239657642 820495349 /nfs/dbraw/zinc/49/53/49/820495349.db2.gz BJLXNAMFPVLPST-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM Cc1cc(-c2nn[n-]n2)ccc1-c1cc(F)cc(F)c1 ZINC001239657642 820495353 /nfs/dbraw/zinc/49/53/53/820495353.db2.gz BJLXNAMFPVLPST-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM OCc1cc(F)cc(-c2ccc3c(c2)[N-]C(=S)C3)c1 ZINC001243697196 823490666 /nfs/dbraw/zinc/49/06/66/823490666.db2.gz VKDHLFYAHZZVRC-UHFFFAOYSA-N -1 3 273.332 3.280 20 0 CGADHM COc1cncc(-c2ccc3c(c2)[N-]C(=S)C3)c1 ZINC001239932710 820711444 /nfs/dbraw/zinc/71/14/44/820711444.db2.gz PSXAKKPSIIHTPH-UHFFFAOYSA-N -1 3 256.330 3.053 20 0 CGADHM Cc1cc(-c2ccccc2-c2nnn[n-]2)c(C)s1 ZINC001240430263 821049300 /nfs/dbraw/zinc/04/93/00/821049300.db2.gz MAKXZHGFZFOCIY-UHFFFAOYSA-N -1 3 256.334 3.212 20 0 CGADHM Cc1cc(-c2ccccc2-c2nn[n-]n2)c(C)s1 ZINC001240430263 821049307 /nfs/dbraw/zinc/04/93/07/821049307.db2.gz MAKXZHGFZFOCIY-UHFFFAOYSA-N -1 3 256.334 3.212 20 0 CGADHM Nc1ccc(-c2cc(C(F)(F)F)[n-]c(=S)n2)c(F)c1 ZINC001240524615 821121764 /nfs/dbraw/zinc/12/17/64/821121764.db2.gz KAIQOECITUGRCI-UHFFFAOYSA-N -1 3 289.257 3.172 20 0 CGADHM c1cc(-c2nnn[n-]2)cc(-c2ccc(N3CCCC3)cc2)c1 ZINC001240591187 821172588 /nfs/dbraw/zinc/17/25/88/821172588.db2.gz KJDKADCCQHHTAV-UHFFFAOYSA-N -1 3 291.358 3.134 20 0 CGADHM c1cc(-c2nn[n-]n2)cc(-c2ccc(N3CCCC3)cc2)c1 ZINC001240591187 821172591 /nfs/dbraw/zinc/17/25/91/821172591.db2.gz KJDKADCCQHHTAV-UHFFFAOYSA-N -1 3 291.358 3.134 20 0 CGADHM CC(=O)Nc1cc(-c2ccc([O-])c(F)c2)ccc1C ZINC001240786294 821327684 /nfs/dbraw/zinc/32/76/84/821327684.db2.gz FHFYPSQXQFYUJM-UHFFFAOYSA-N -1 3 259.280 3.465 20 0 CGADHM COc1cc(F)c(-c2ccc([O-])c(F)c2)c(OC)c1 ZINC001240787304 821328913 /nfs/dbraw/zinc/32/89/13/821328913.db2.gz WULKGBIWRXLWPR-UHFFFAOYSA-N -1 3 266.243 3.355 20 0 CGADHM CC(C)COc1ncc(-c2ccc([O-])c(F)c2)cn1 ZINC001240790073 821332121 /nfs/dbraw/zinc/33/21/21/821332121.db2.gz JNKCFBFPFVSRGK-UHFFFAOYSA-N -1 3 262.284 3.023 20 0 CGADHM COC(=O)c1ccc(C(F)(F)F)nc1-c1ccccc1[O-] ZINC001241001846 821481145 /nfs/dbraw/zinc/48/11/45/821481145.db2.gz JZSJAZHOXBSSHQ-UHFFFAOYSA-N -1 3 297.232 3.260 20 0 CGADHM Cc1ccc(-c2cncc(N(C)CC3CC3)n2)c([O-])c1 ZINC001241035756 821511512 /nfs/dbraw/zinc/51/15/12/821511512.db2.gz GNHSKXZSIOOTOB-UHFFFAOYSA-N -1 3 269.348 3.004 20 0 CGADHM Cc1ccc(-c2nccnc2OC2CCC2)c([O-])c1 ZINC001241035671 821511869 /nfs/dbraw/zinc/51/18/69/821511869.db2.gz FDGJPOXXNQENKU-UHFFFAOYSA-N -1 3 256.305 3.089 20 0 CGADHM Cc1cc(N)c(F)cc1-c1c(F)cc([O-])cc1F ZINC001241121631 821577101 /nfs/dbraw/zinc/57/71/01/821577101.db2.gz OXKOWHBHWNBKCP-UHFFFAOYSA-N -1 3 253.223 3.367 20 0 CGADHM Fc1cc(F)c(-c2ccc(F)c(-c3nnn[n-]3)c2)c(F)c1 ZINC001241171789 821615285 /nfs/dbraw/zinc/61/52/85/821615285.db2.gz HDGJLSAORXAGRY-UHFFFAOYSA-N -1 3 294.211 3.090 20 0 CGADHM Fc1cc(F)c(-c2ccc(F)c(-c3nn[n-]n3)c2)c(F)c1 ZINC001241171789 821615289 /nfs/dbraw/zinc/61/52/89/821615289.db2.gz HDGJLSAORXAGRY-UHFFFAOYSA-N -1 3 294.211 3.090 20 0 CGADHM CCOc1ccc(-c2ccc(F)c(-c3nnn[n-]3)c2)cc1C ZINC001241197573 821632364 /nfs/dbraw/zinc/63/23/64/821632364.db2.gz FACWMUYVKLXZRJ-UHFFFAOYSA-N -1 3 298.321 3.380 20 0 CGADHM CCOc1ccc(-c2ccc(F)c(-c3nn[n-]n3)c2)cc1C ZINC001241197573 821632366 /nfs/dbraw/zinc/63/23/66/821632366.db2.gz FACWMUYVKLXZRJ-UHFFFAOYSA-N -1 3 298.321 3.380 20 0 CGADHM Cc1cc2nc(C)nc(-c3cc([O-])cc(F)c3)c2[nH]1 ZINC001241262553 821682571 /nfs/dbraw/zinc/68/25/71/821682571.db2.gz OFYYOOFGNHZKMO-UHFFFAOYSA-N -1 3 257.268 3.086 20 0 CGADHM CCSc1cncc(-c2cc([O-])cc(F)c2)n1 ZINC001241262360 821682660 /nfs/dbraw/zinc/68/26/60/821682660.db2.gz ZVCVNINIOLUEHZ-UHFFFAOYSA-N -1 3 250.298 3.100 20 0 CGADHM [O-]c1cc(F)cc(-c2ccc(OC(F)F)nc2)c1 ZINC001241271276 821689725 /nfs/dbraw/zinc/68/97/25/821689725.db2.gz AIPIQTRWQZUNPZ-UHFFFAOYSA-N -1 3 255.195 3.195 20 0 CGADHM CCOc1ccc(-c2ccc(-c3nnn[n-]3)cc2)c(C)c1 ZINC001241272402 821691465 /nfs/dbraw/zinc/69/14/65/821691465.db2.gz QFTBTVYHGVDMEN-UHFFFAOYSA-N -1 3 280.331 3.241 20 0 CGADHM CCOc1ccc(-c2ccc(-c3nn[n-]n3)cc2)c(C)c1 ZINC001241272402 821691467 /nfs/dbraw/zinc/69/14/67/821691467.db2.gz QFTBTVYHGVDMEN-UHFFFAOYSA-N -1 3 280.331 3.241 20 0 CGADHM CCOC(=O)c1ccc(-c2cc([O-])cc(F)c2)c(C)n1 ZINC001241277873 821696702 /nfs/dbraw/zinc/69/67/02/821696702.db2.gz RIIUMYSOQJEPGN-UHFFFAOYSA-N -1 3 275.279 3.078 20 0 CGADHM COC(=O)C(C)(C)c1ccnc(-c2cc([O-])cc(F)c2)c1 ZINC001241278224 821696751 /nfs/dbraw/zinc/69/67/51/821696751.db2.gz XXFUGJAPLBTSAJ-UHFFFAOYSA-N -1 3 289.306 3.044 20 0 CGADHM [O-]c1cc(F)cc(-c2c3ncnn3ccc2C(F)(F)F)c1 ZINC001241281944 821701281 /nfs/dbraw/zinc/70/12/81/821701281.db2.gz FOIUAIMOMRAPMI-UHFFFAOYSA-N -1 3 297.211 3.260 20 0 CGADHM COC(=O)c1cc(C)cc(-c2c(F)ccc([O-])c2F)c1 ZINC001241292514 821709399 /nfs/dbraw/zinc/70/93/99/821709399.db2.gz DFLBBFVGGJKUGS-UHFFFAOYSA-N -1 3 278.254 3.432 20 0 CGADHM CCOc1ncc(-c2c(F)ccc([O-])c2F)cc1C ZINC001241292487 821709637 /nfs/dbraw/zinc/70/96/37/821709637.db2.gz BSUDRNIKVPAKPC-UHFFFAOYSA-N -1 3 265.259 3.440 20 0 CGADHM Cn1ccc2ncc(-c3c(F)ccc([O-])c3F)cc21 ZINC001241293617 821710516 /nfs/dbraw/zinc/71/05/16/821710516.db2.gz KBPXDOQCYQDOJQ-UHFFFAOYSA-N -1 3 260.243 3.224 20 0 CGADHM CN(C)c1ccnc(-c2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC001241345295 821749745 /nfs/dbraw/zinc/74/97/45/821749745.db2.gz GJFBUKAFMUJQHU-UHFFFAOYSA-N -1 3 276.723 3.166 20 0 CGADHM O=C([O-])c1cccc(-c2cc(N3CCCC3)ccn2)c1 ZINC001241358461 821759741 /nfs/dbraw/zinc/75/97/41/821759741.db2.gz PKZISNJHIGQUBC-UHFFFAOYSA-N -1 3 268.316 3.047 20 0 CGADHM c1cc(-c2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc2)no1 ZINC001241443170 821836258 /nfs/dbraw/zinc/83/62/58/821836258.db2.gz BCDPAJNHDLSYJY-UHFFFAOYSA-N -1 3 289.298 3.189 20 0 CGADHM c1cc(-c2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc2)no1 ZINC001241443170 821836266 /nfs/dbraw/zinc/83/62/66/821836266.db2.gz BCDPAJNHDLSYJY-UHFFFAOYSA-N -1 3 289.298 3.189 20 0 CGADHM Cc1cc(F)cc(C)c1-c1ccc(-c2nnn[n-]2)cc1 ZINC001241442901 821836841 /nfs/dbraw/zinc/83/68/41/821836841.db2.gz IYLXFBKDZJBUAQ-UHFFFAOYSA-N -1 3 268.295 3.290 20 0 CGADHM Cc1cc(F)cc(C)c1-c1ccc(-c2nn[n-]n2)cc1 ZINC001241442901 821836847 /nfs/dbraw/zinc/83/68/47/821836847.db2.gz IYLXFBKDZJBUAQ-UHFFFAOYSA-N -1 3 268.295 3.290 20 0 CGADHM Cc1cc2cc(-c3ccc(-c4nnn[n-]4)cc3)ccc2cn1 ZINC001241446783 821843558 /nfs/dbraw/zinc/84/35/58/821843558.db2.gz RKYGGZIXCCOFJI-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM Cc1cc2cc(-c3ccc(-c4nn[n-]n4)cc3)ccc2cn1 ZINC001241446783 821843564 /nfs/dbraw/zinc/84/35/64/821843564.db2.gz RKYGGZIXCCOFJI-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM CCc1cccc(-c2ccccc2-c2nnn[n-]2)c1 ZINC001241545902 821935728 /nfs/dbraw/zinc/93/57/28/821935728.db2.gz LCCWRRZUERHSNY-UHFFFAOYSA-N -1 3 250.305 3.096 20 0 CGADHM CCc1cccc(-c2ccccc2-c2nn[n-]n2)c1 ZINC001241545902 821935732 /nfs/dbraw/zinc/93/57/32/821935732.db2.gz LCCWRRZUERHSNY-UHFFFAOYSA-N -1 3 250.305 3.096 20 0 CGADHM CCc1cccc(-c2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC001241546552 821937125 /nfs/dbraw/zinc/93/71/25/821937125.db2.gz DQBNJAQPNOAGKD-UHFFFAOYSA-N -1 3 268.295 3.235 20 0 CGADHM CCc1cccc(-c2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC001241546552 821937130 /nfs/dbraw/zinc/93/71/30/821937130.db2.gz DQBNJAQPNOAGKD-UHFFFAOYSA-N -1 3 268.295 3.235 20 0 CGADHM CSc1ncc(-c2ccc3c(c2)[N-]C(=S)C3)cn1 ZINC001241632067 822009565 /nfs/dbraw/zinc/00/95/65/822009565.db2.gz XPCNNFLRVAHGRT-UHFFFAOYSA-N -1 3 273.386 3.161 20 0 CGADHM CCCOc1ccc(-c2ccc(Cc3nnn[n-]3)cc2)cc1 ZINC001241747595 822119610 /nfs/dbraw/zinc/11/96/10/822119610.db2.gz JLGFGQAMHNKMQY-UHFFFAOYSA-N -1 3 294.358 3.246 20 0 CGADHM CCCOc1ccc(-c2ccc(Cc3nn[n-]n3)cc2)cc1 ZINC001241747595 822119616 /nfs/dbraw/zinc/11/96/16/822119616.db2.gz JLGFGQAMHNKMQY-UHFFFAOYSA-N -1 3 294.358 3.246 20 0 CGADHM [O-]c1ccc(C(F)(F)F)cc1-c1cc2[nH]cnc2cn1 ZINC001242131454 822888828 /nfs/dbraw/zinc/88/88/28/822888828.db2.gz KGWIWBHXCKBCFD-UHFFFAOYSA-N -1 3 279.221 3.349 20 0 CGADHM [O-]c1ccc(C(F)(F)F)cc1-c1cc2nc[nH]c2cn1 ZINC001242131454 822888834 /nfs/dbraw/zinc/88/88/34/822888834.db2.gz KGWIWBHXCKBCFD-UHFFFAOYSA-N -1 3 279.221 3.349 20 0 CGADHM Cc1cc(-c2nnn[n-]2)ccc1-c1cccc(Cl)c1 ZINC001242147219 822893860 /nfs/dbraw/zinc/89/38/60/822893860.db2.gz WNMLXXSJAVEHLP-UHFFFAOYSA-N -1 3 270.723 3.496 20 0 CGADHM Cc1cc(-c2nn[n-]n2)ccc1-c1cccc(Cl)c1 ZINC001242147219 822893864 /nfs/dbraw/zinc/89/38/64/822893864.db2.gz WNMLXXSJAVEHLP-UHFFFAOYSA-N -1 3 270.723 3.496 20 0 CGADHM COc1ccnc2cc(-c3ccc(F)cc3[O-])cnc21 ZINC001242219314 822915788 /nfs/dbraw/zinc/91/57/88/822915788.db2.gz CKLYPUSZFKBNFU-UHFFFAOYSA-N -1 3 270.263 3.150 20 0 CGADHM [O-]c1cc(F)ccc1-c1ccc2nnc(C3CC3)n2c1 ZINC001242218868 822915799 /nfs/dbraw/zinc/91/57/99/822915799.db2.gz CKVKGFJLESMWPS-UHFFFAOYSA-N -1 3 269.279 3.118 20 0 CGADHM COC(=O)c1cc2ccc(-c3ccc(F)cc3[O-])cc2n1C ZINC001242221770 822917366 /nfs/dbraw/zinc/91/73/66/822917366.db2.gz XLKPAFNESDSBQV-UHFFFAOYSA-N -1 3 299.301 3.477 20 0 CGADHM Cc1cc(-c2ccc(F)c(-c3nnn[n-]3)c2)ccc1N(C)C ZINC001242242528 822924319 /nfs/dbraw/zinc/92/43/19/822924319.db2.gz NAAYXFUBEAIJBQ-UHFFFAOYSA-N -1 3 297.337 3.047 20 0 CGADHM Cc1cc(-c2ccc(F)c(-c3nn[n-]n3)c2)ccc1N(C)C ZINC001242242528 822924321 /nfs/dbraw/zinc/92/43/21/822924321.db2.gz NAAYXFUBEAIJBQ-UHFFFAOYSA-N -1 3 297.337 3.047 20 0 CGADHM COC(=O)c1cc2[nH]ccc2c(-c2cccc(F)c2[O-])c1 ZINC001242351224 822961241 /nfs/dbraw/zinc/96/12/41/822961241.db2.gz SLRDNVCKAUDBGB-UHFFFAOYSA-N -1 3 285.274 3.466 20 0 CGADHM O=C(c1ccccc1-c1cccc(F)c1[O-])N1CCCC1 ZINC001242351156 822961447 /nfs/dbraw/zinc/96/14/47/822961447.db2.gz PKHMSXUCJLTGLO-UHFFFAOYSA-N -1 3 285.318 3.434 20 0 CGADHM O=C(c1cccc(-c2cccc(F)c2[O-])c1)N1CCCC1 ZINC001242352331 822962040 /nfs/dbraw/zinc/96/20/40/822962040.db2.gz SGQHMBTZZXWLEO-UHFFFAOYSA-N -1 3 285.318 3.434 20 0 CGADHM CCN(CC)C(=O)c1ccc(-c2cccc(F)c2[O-])cn1 ZINC001242352084 822962197 /nfs/dbraw/zinc/96/21/97/822962197.db2.gz LJDIXVRSORSGEJ-UHFFFAOYSA-N -1 3 288.322 3.075 20 0 CGADHM O=C1OCc2cc(-c3cccc(F)c3[O-])cc(F)c21 ZINC001242352634 822962638 /nfs/dbraw/zinc/96/26/38/822962638.db2.gz BJDPZFKNAYGKSO-UHFFFAOYSA-N -1 3 262.211 3.008 20 0 CGADHM COC(=O)c1cc(-c2cccc(F)c2[O-])c(OC)cc1C ZINC001242353426 822963173 /nfs/dbraw/zinc/96/31/73/822963173.db2.gz ZSSWEDDFQCDONX-UHFFFAOYSA-N -1 3 290.290 3.302 20 0 CGADHM CN(C)Cc1cncc(-c2cccc(Cl)c2[O-])c1 ZINC001242367349 822969293 /nfs/dbraw/zinc/96/92/93/822969293.db2.gz KHGOVDFJAVLLSL-UHFFFAOYSA-N -1 3 262.740 3.169 20 0 CGADHM CC(C)n1ccc(-c2cc(C(F)(F)F)[n-]c(=S)n2)n1 ZINC001242452767 822997152 /nfs/dbraw/zinc/99/71/52/822997152.db2.gz PNJJEWGYBFWECQ-UHFFFAOYSA-N -1 3 288.298 3.229 20 0 CGADHM O=C(Cc1ccc(C2CCC2)cc1)[N-]OCc1cccnc1 ZINC001346699963 936857518 /nfs/dbraw/zinc/85/75/18/936857518.db2.gz HOGWDYNJLYPZKN-UHFFFAOYSA-N -1 3 296.370 3.140 20 0 CGADHM Cc1ccc2occ(CC(=O)[N-]OC(C)(C)C)c2c1 ZINC001348468740 936922951 /nfs/dbraw/zinc/92/29/51/936922951.db2.gz RRZVAKJQWVRBBS-UHFFFAOYSA-N -1 3 261.321 3.130 20 0 CGADHM O=C(Cc1ccc2cnccc2c1)Nc1cccc([O-])c1F ZINC001545835627 937247236 /nfs/dbraw/zinc/24/72/36/937247236.db2.gz HMEQHCUVYXVVSQ-UHFFFAOYSA-N -1 3 296.301 3.261 20 0 CGADHM Cc1nc(Sc2cc(Cl)nc(=O)[n-]2)sc1C ZINC001412871823 928720467 /nfs/dbraw/zinc/72/04/67/928720467.db2.gz PTVPWDSKFWEECI-UHFFFAOYSA-N -1 3 273.770 3.060 20 0 CGADHM Cc1nc2ccc(NC(=O)c3c(C)cccc3[O-])cc2o1 ZINC001441011126 937335678 /nfs/dbraw/zinc/33/56/78/937335678.db2.gz MQPSMTKYIYJJOT-UHFFFAOYSA-N -1 3 282.299 3.403 20 0 CGADHM CCc1cc(C(=O)Nc2cccc([O-])c2F)cc(Cl)n1 ZINC001446238531 937362818 /nfs/dbraw/zinc/36/28/18/937362818.db2.gz IQGAPFSBBKOQLO-UHFFFAOYSA-N -1 3 294.713 3.394 20 0 CGADHM COc1cccc([O-])c1C(=O)NCC1(C2CCC2)CCC1 ZINC001450975524 937388690 /nfs/dbraw/zinc/38/86/90/937388690.db2.gz WZORMQVPDFFHQF-UHFFFAOYSA-N -1 3 289.375 3.101 20 0 CGADHM CC(C)(C)c1ccc(CC(=O)[N-]OCC2CCC2)cc1 ZINC001453744107 937404705 /nfs/dbraw/zinc/40/47/05/937404705.db2.gz WSRWJTKUEXUZCN-UHFFFAOYSA-N -1 3 275.392 3.375 20 0 CGADHM CC1(C)C2CCC1(C(=O)[N-]OCC1CCC1)CC2 ZINC001453732273 937404869 /nfs/dbraw/zinc/40/48/69/937404869.db2.gz DFDJFOAIJQIPIY-UHFFFAOYSA-N -1 3 251.370 3.051 20 0 CGADHM C[C@@H]1c2ccccc2CN1C(=O)Cc1ccc([O-])c(F)c1 ZINC001454006594 937405796 /nfs/dbraw/zinc/40/57/96/937405796.db2.gz JJCBDBNCAXCSGK-LLVKDONJSA-N -1 3 285.318 3.177 20 0 CGADHM CCC1(CC)[C@@H](NC(=O)c2ccc(C)cc2[O-])C[C@@H]1OC ZINC001546060793 937408242 /nfs/dbraw/zinc/40/82/42/937408242.db2.gz JREGVOFQMCAEIP-GJZGRUSLSA-N -1 3 291.391 3.024 20 0 CGADHM O=C(N[C@@H]1[C@H]2Cc3c(cccc3Cl)[C@@H]12)c1ccccc1[O-] ZINC001454626568 937409931 /nfs/dbraw/zinc/40/99/31/937409931.db2.gz HYLRKGNMVKVAKB-APHBMKBZSA-N -1 3 299.757 3.114 20 0 CGADHM [O-]c1ccccc1-c1nnc(CSCc2ccco2)o1 ZINC001458795130 937474060 /nfs/dbraw/zinc/47/40/60/937474060.db2.gz KPQPXYPPEDBITD-UHFFFAOYSA-N -1 3 288.328 3.469 20 0 CGADHM CO[C@H](C)COc1cc([O-])c(C(C)C)cc1C(C)=O ZINC001228959302 932059765 /nfs/dbraw/zinc/05/97/65/932059765.db2.gz XXEFYICLXFQFMH-SNVBAGLBSA-N -1 3 266.337 3.132 20 0 CGADHM [O-]c1cc(O)cc(O[C@@H]2C[C@@H]3CC[C@H]2C3)c1Br ZINC001229096393 932093682 /nfs/dbraw/zinc/09/36/82/932093682.db2.gz CZJJUQBDJYNCAL-VHSKPIJISA-N -1 3 299.164 3.428 20 0 CGADHM C[C@H]1CC[C@@H](Oc2cc(O)cc([O-])c2Br)C1 ZINC001229100081 932095258 /nfs/dbraw/zinc/09/52/58/932095258.db2.gz OWDLXHFBRYPWSB-IONNQARKSA-N -1 3 287.153 3.428 20 0 CGADHM CCC[C@H](Oc1ccc(-c2nnn[n-]2)cc1OC)C(C)C ZINC001229337386 932136123 /nfs/dbraw/zinc/13/61/23/932136123.db2.gz FLUGILCQNDGEPT-LBPRGKRZSA-N -1 3 290.367 3.079 20 0 CGADHM CCC[C@H](Oc1ccc(-c2nn[n-]n2)cc1OC)C(C)C ZINC001229337386 932136126 /nfs/dbraw/zinc/13/61/26/932136126.db2.gz FLUGILCQNDGEPT-LBPRGKRZSA-N -1 3 290.367 3.079 20 0 CGADHM S=c1nc(OC2CCSCC2)c2ccsc2[n-]1 ZINC001229570589 932173751 /nfs/dbraw/zinc/17/37/51/932173751.db2.gz RZNPOKOSUNOXCJ-UHFFFAOYSA-N -1 3 284.431 3.254 20 0 CGADHM Cc1ccc2c(c1)[C@@H](Oc1nc(C)[n-]c(=O)c1C)CC2 ZINC001229684133 932188654 /nfs/dbraw/zinc/18/86/54/932188654.db2.gz WMGYXWJIQKYAGR-AWEZNQCLSA-N -1 3 270.332 3.174 20 0 CGADHM Cc1ccc([C@@H](C)Oc2nc(C)[n-]c(=O)c2C)cc1 ZINC001229684804 932188976 /nfs/dbraw/zinc/18/89/76/932188976.db2.gz HBBZPBRRUFDAST-LLVKDONJSA-N -1 3 258.321 3.247 20 0 CGADHM Fc1ccc2c(c1)CC[C@@H]2Oc1ccccc1-c1nnn[n-]1 ZINC001229949472 932507761 /nfs/dbraw/zinc/50/77/61/932507761.db2.gz BKCRUOZJDMHHGA-HNNXBMFYSA-N -1 3 296.305 3.072 20 0 CGADHM Fc1ccc2c(c1)CC[C@@H]2Oc1ccccc1-c1nn[n-]n1 ZINC001229949472 932507766 /nfs/dbraw/zinc/50/77/66/932507766.db2.gz BKCRUOZJDMHHGA-HNNXBMFYSA-N -1 3 296.305 3.072 20 0 CGADHM CC1(C)CCC(Oc2ccccc2-c2nnn[n-]2)CC1 ZINC001229955856 932509923 /nfs/dbraw/zinc/50/99/23/932509923.db2.gz ZPLIYYONTCHKHI-UHFFFAOYSA-N -1 3 272.352 3.214 20 0 CGADHM CC1(C)CCC(Oc2ccccc2-c2nn[n-]n2)CC1 ZINC001229955856 932509926 /nfs/dbraw/zinc/50/99/26/932509926.db2.gz ZPLIYYONTCHKHI-UHFFFAOYSA-N -1 3 272.352 3.214 20 0 CGADHM CCC[C@H](Oc1ccccc1-c1nnn[n-]1)C(C)(C)C ZINC001229954577 932509941 /nfs/dbraw/zinc/50/99/41/932509941.db2.gz MKXOCRKXIOSQQP-ZDUSSCGKSA-N -1 3 274.368 3.460 20 0 CGADHM CCC[C@H](Oc1ccccc1-c1nn[n-]n1)C(C)(C)C ZINC001229954577 932509946 /nfs/dbraw/zinc/50/99/46/932509946.db2.gz MKXOCRKXIOSQQP-ZDUSSCGKSA-N -1 3 274.368 3.460 20 0 CGADHM CC[C@H](C)CC[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001231076778 932672996 /nfs/dbraw/zinc/67/29/96/932672996.db2.gz MFXSMJMDQLPNPN-NWDGAFQWSA-N -1 3 274.368 3.460 20 0 CGADHM Cc1ccc(C(=O)N[C@H]2CCSC(C)(C)C2)c([O-])c1 ZINC001304095202 932843065 /nfs/dbraw/zinc/84/30/65/932843065.db2.gz PTYOCMFIBQABKN-NSHDSACASA-N -1 3 279.405 3.105 20 0 CGADHM CSc1ccc([O-])c(C(=O)NC[C@@H]2Cc3ccccc32)c1 ZINC001464322248 937689174 /nfs/dbraw/zinc/68/91/74/937689174.db2.gz ZHAFFAFPUVDQRC-LBPRGKRZSA-N -1 3 299.395 3.184 20 0 CGADHM CC(C)CCc1ccc(NC(=O)c2cc(=O)[n-]cn2)cc1 ZINC001464589186 937692789 /nfs/dbraw/zinc/69/27/89/937692789.db2.gz PCLUUXXHKMYBCU-UHFFFAOYSA-N -1 3 285.347 3.023 20 0 CGADHM O=C(c1cc([O-])c2ccccc2c1)N1CC2(CCC2)C1 ZINC001465939539 937705115 /nfs/dbraw/zinc/70/51/15/937705115.db2.gz RWSBWLAWZWWCJK-UHFFFAOYSA-N -1 3 267.328 3.172 20 0 CGADHM Cc1cc(=O)[n-]c(CSCc2ncoc2C(C)C)n1 ZINC001319977799 933971741 /nfs/dbraw/zinc/97/17/41/933971741.db2.gz VISXZCVGQXEXGL-UHFFFAOYSA-N -1 3 279.365 3.035 20 0 CGADHM CCn1ccc(NC(=O)c2cc3sccc3c([O-])c2)n1 ZINC001469929418 937745706 /nfs/dbraw/zinc/74/57/06/937745706.db2.gz MHIPKYIFDROVOU-UHFFFAOYSA-N -1 3 287.344 3.076 20 0 CGADHM CC1(C)C[C@]1(NC(=O)c1ccc(O)cc1[O-])c1ccccc1 ZINC001470491221 937753671 /nfs/dbraw/zinc/75/36/71/937753671.db2.gz FGBKVTZHXYENGD-SFHVURJKSA-N -1 3 297.354 3.153 20 0 CGADHM Cc1cccc(CO[N-]C(=O)[C@]2(C)CC[C@H](C)C2(C)C)n1 ZINC001470618564 937755837 /nfs/dbraw/zinc/75/58/37/937755837.db2.gz SNQGNGSBPQHFBV-SJCJKPOMSA-N -1 3 290.407 3.400 20 0 CGADHM Cc1cc(C)c(O)c(NC(=O)c2cccc(C)c2[O-])c1 ZINC001470980715 937760071 /nfs/dbraw/zinc/76/00/71/937760071.db2.gz MATPVYJFIRHOQH-UHFFFAOYSA-N -1 3 271.316 3.275 20 0 CGADHM Cc1cc(C)c(O)c(NC(=O)Cc2ccc([O-])c(F)c2)c1 ZINC001470981697 937760177 /nfs/dbraw/zinc/76/01/77/937760177.db2.gz NIDBVJIVSQAUHI-UHFFFAOYSA-N -1 3 289.306 3.035 20 0 CGADHM CC(C)Cc1ccc(C(=O)CCC(=O)[N-]OC(C)C)cc1 ZINC001324792259 934567177 /nfs/dbraw/zinc/56/71/77/934567177.db2.gz RDWGSNCQOQSYHT-UHFFFAOYSA-N -1 3 291.391 3.304 20 0 CGADHM CC(C)(NC(=O)c1cccc2n[n-]nc21)C1CCCCC1 ZINC001326056291 934948415 /nfs/dbraw/zinc/94/84/15/934948415.db2.gz ULMCEGGQSGDNGC-UHFFFAOYSA-N -1 3 286.379 3.047 20 0 CGADHM CC(=O)[C@H](C)CCOC(=O)c1cc2sccc2c([O-])c1 ZINC001327483779 935063265 /nfs/dbraw/zinc/06/32/65/935063265.db2.gz SIOCAJSFOBAUSU-SECBINFHSA-N -1 3 292.356 3.379 20 0 CGADHM CC1(C)C[C@@H](OC(=O)c2cc3sccc3c([O-])c2)CO1 ZINC001327978381 935105009 /nfs/dbraw/zinc/10/50/09/935105009.db2.gz MZIMHVLMDYQDCQ-SNVBAGLBSA-N -1 3 292.356 3.331 20 0 CGADHM CC(C)(C)n1cc(COC(=O)c2cc3occc3[n-]2)cn1 ZINC001327977423 935105039 /nfs/dbraw/zinc/10/50/39/935105039.db2.gz DBOXZGOFYYFCFO-UHFFFAOYSA-N -1 3 287.319 3.069 20 0 CGADHM CCN(C(=O)c1cc([O-])cc(C(F)(F)F)c1)C(C)C ZINC001328505796 935144147 /nfs/dbraw/zinc/14/41/47/935144147.db2.gz MSTDGTRSDNQOQM-UHFFFAOYSA-N -1 3 275.270 3.282 20 0 CGADHM COc1cccc(C[C@@H](C)CC(=O)[N-]OC(C)(C)C)c1 ZINC001333824076 936068971 /nfs/dbraw/zinc/06/89/71/936068971.db2.gz QUQAKUSKBNZUDH-GFCCVEGCSA-N -1 3 279.380 3.110 20 0 CGADHM O=C([N-]c1nnc(C(F)F)s1)c1coc(C(F)F)c1 ZINC001517954821 938013472 /nfs/dbraw/zinc/01/34/72/938013472.db2.gz DWXLWCXCCXSONH-UHFFFAOYSA-N -1 3 295.217 3.259 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)N1CC[C@H]1c1ccccc1 ZINC001541055123 938134705 /nfs/dbraw/zinc/13/47/05/938134705.db2.gz MYNBCPHKNUHCRH-HNNXBMFYSA-N -1 3 285.318 3.047 20 0 CGADHM C[C@H](NC(=O)Cc1cccc([O-])c1F)[C@]12C[C@H]1CCCC2 ZINC001549877912 938160581 /nfs/dbraw/zinc/16/05/81/938160581.db2.gz MTKZTYQGWIKVJO-PPHDSNJXSA-N -1 3 291.366 3.159 20 0 CGADHM Cc1ccc(F)c(CN2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)c1F ZINC001550350277 938166214 /nfs/dbraw/zinc/16/62/14/938166214.db2.gz IFHWTNIQRQQFHT-CJNGLKHVSA-N -1 3 295.329 3.102 20 0 CGADHM CC1(C)[C@@H](NCc2ccc(C(=O)[O-])cn2)[C@H]1c1ccccc1 ZINC001550707439 938170201 /nfs/dbraw/zinc/17/02/01/938170201.db2.gz HFMAZVFFTIIYGV-CVEARBPZSA-N -1 3 296.370 3.062 20 0 CGADHM CC(C)(C)O[N-]C(=O)[C@@H]1C2CCC(CC2)[C@H]1C(F)(F)F ZINC001552136278 938190034 /nfs/dbraw/zinc/19/00/34/938190034.db2.gz IWNCIKYZVSZNLD-JPPWEJMLSA-N -1 3 293.329 3.447 20 0 CGADHM O=C(Nc1c([O-])cccc1Cl)c1ocnc1C1CC1 ZINC001556784362 938205678 /nfs/dbraw/zinc/20/56/78/938205678.db2.gz RTUAHPXFAGSZSG-UHFFFAOYSA-N -1 3 278.695 3.163 20 0 CGADHM Cc1ncsc1/C=C\C(=O)Nc1c([O-])cccc1Cl ZINC001556785053 938205784 /nfs/dbraw/zinc/20/57/84/938205784.db2.gz LTDUYRYVFOAVFM-WAYWQWQTSA-N -1 3 294.763 3.462 20 0 CGADHM CSc1ccc([O-])c(C(=O)NC2(CC(C)C)CC2)c1 ZINC001557620583 938211174 /nfs/dbraw/zinc/21/11/74/938211174.db2.gz ZMHLIQATOIMWBI-UHFFFAOYSA-N -1 3 279.405 3.423 20 0 CGADHM CCC(C)(C)CCNC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC001557885152 938212404 /nfs/dbraw/zinc/21/24/04/938212404.db2.gz HBYVJLQKFPMQQY-UHFFFAOYSA-N -1 3 277.364 3.151 20 0 CGADHM COc1ccc([O-])c(C(=O)Nc2ccsc2C)c1 ZINC001557919406 938212436 /nfs/dbraw/zinc/21/24/36/938212436.db2.gz VWZIOXBCEIDMQK-UHFFFAOYSA-N -1 3 263.318 3.023 20 0 CGADHM CCc1ccc(C(=O)NCC(C)(C)CC(F)F)c([O-])c1 ZINC001558146229 938213758 /nfs/dbraw/zinc/21/37/58/938213758.db2.gz ZBBFFMCFGLZHBA-UHFFFAOYSA-N -1 3 285.334 3.366 20 0 CGADHM C/C(=C\C(=O)[N-]Oc1ccccc1F)c1ccc(F)cc1 ZINC001558226072 938214206 /nfs/dbraw/zinc/21/42/06/938214206.db2.gz MZMBFKKHUUZYNA-ZHACJKMWSA-N -1 3 289.281 3.478 20 0 CGADHM C[C@H](N[C@H](C(=O)[O-])c1ccccc1)c1ccc(F)c(F)c1 ZINC000050508361 957492881 /nfs/dbraw/zinc/49/28/81/957492881.db2.gz GDZMYQOYHZNQCJ-BONVTDFDSA-N -1 3 291.297 3.441 20 0 CGADHM Cc1cc(CN[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc(C)n1 ZINC001594304044 957944765 /nfs/dbraw/zinc/94/47/65/957944765.db2.gz DHEQICARBGOYBN-SJORKVTESA-N -1 3 296.370 3.101 20 0 CGADHM Cc1cc(CNCc2ccc(C(=O)[O-])cc2)cc(Cl)n1 ZINC001594304310 957950096 /nfs/dbraw/zinc/95/00/96/957950096.db2.gz XKDAUKPBIKVNOS-UHFFFAOYSA-N -1 3 290.750 3.031 20 0 CGADHM Cc1cc(CN[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)c(C)o1 ZINC001594304351 957951308 /nfs/dbraw/zinc/95/13/08/957951308.db2.gz IKJGHEMUHXTRKA-CVEARBPZSA-N -1 3 285.343 3.299 20 0 CGADHM Cc1ccc(CN(C)Cc2ccc(C(=O)[O-])cc2)cc1F ZINC000086725302 957977155 /nfs/dbraw/zinc/97/71/55/957977155.db2.gz HEYXSEIBWYFPIX-UHFFFAOYSA-N -1 3 287.334 3.464 20 0 CGADHM Cc1cc(F)ccc1CN[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001594310790 958013730 /nfs/dbraw/zinc/01/37/30/958013730.db2.gz GHAUXQMPEMRDHN-OAHLLOKOSA-N -1 3 291.297 3.189 20 0 CGADHM Cc1cc(F)ccc1CN[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001594310785 958014040 /nfs/dbraw/zinc/01/40/40/958014040.db2.gz GHAUXQMPEMRDHN-HNNXBMFYSA-N -1 3 291.297 3.189 20 0 CGADHM C[C@@H](c1ccc(F)c(F)c1)N1CCC[C@](C)(C(=O)[O-])C1 ZINC000227829756 959970574 /nfs/dbraw/zinc/97/05/74/959970574.db2.gz BWHHYKWWXJWNOD-BONVTDFDSA-N -1 3 283.318 3.213 20 0 CGADHM Cc1cccc([C@H](C)NCc2ccoc2C(=O)[O-])c1 ZINC000235520019 960450385 /nfs/dbraw/zinc/45/03/85/960450385.db2.gz LHHDCHMUKPEUEA-NSHDSACASA-N -1 3 259.305 3.137 20 0 CGADHM CC[C@H](C)[C@H](C(=O)[O-])N1Cc2cccc(Cl)c2C1 ZINC001594873770 960521014 /nfs/dbraw/zinc/52/10/14/960521014.db2.gz PGGHWHFMXMHWGQ-TVQRCGJNSA-N -1 3 267.756 3.155 20 0 CGADHM Cc1ccc(F)c(CC(=O)Nc2cccc([O-])c2F)c1 ZINC001566435804 960941340 /nfs/dbraw/zinc/94/13/40/960941340.db2.gz YZHVFBVQMQPXFE-UHFFFAOYSA-N -1 3 277.270 3.160 20 0 CGADHM Cc1cocc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC001566639624 960969614 /nfs/dbraw/zinc/96/96/14/960969614.db2.gz ZOIGYTVJUFBFNJ-UHFFFAOYSA-N -1 3 251.669 3.199 20 0 CGADHM CSc1ccc([O-])c(C(=O)NCc2cc(C)cs2)c1 ZINC001569332444 961743701 /nfs/dbraw/zinc/74/37/01/961743701.db2.gz DFJHGQNKLBMAQD-UHFFFAOYSA-N -1 3 293.413 3.414 20 0 CGADHM O=C(CCCc1cccnc1)Nc1c([O-])cccc1Cl ZINC001569682645 961823019 /nfs/dbraw/zinc/82/30/19/961823019.db2.gz PSUPLSPRZWSWQD-UHFFFAOYSA-N -1 3 290.750 3.402 20 0 CGADHM Cc1csc(CCC(=O)Nc2c([O-])cccc2Cl)n1 ZINC001569682375 961823900 /nfs/dbraw/zinc/82/39/00/961823900.db2.gz LTTQXLMGTCXGFI-UHFFFAOYSA-N -1 3 296.779 3.382 20 0 CGADHM CC[C@H]1CCCC[C@H]1CNC(=O)c1ccc(O)cc1[O-] ZINC001569767665 961844048 /nfs/dbraw/zinc/84/40/48/961844048.db2.gz BHWPWQBTBZZOFT-RYUDHWBXSA-N -1 3 277.364 3.044 20 0 CGADHM C[C@H]1CCC[C@H](COc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001576153968 962433903 /nfs/dbraw/zinc/43/39/03/962433903.db2.gz NXADHWJHOGGKKU-QWRGUYRKSA-N -1 3 290.342 3.211 20 0 CGADHM C[C@H]1CCC[C@H](COc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001576153968 962433912 /nfs/dbraw/zinc/43/39/12/962433912.db2.gz NXADHWJHOGGKKU-QWRGUYRKSA-N -1 3 290.342 3.211 20 0 CGADHM CCC(C)(C)C(=O)Nc1ccc(C2CC2)c(-c2nnn[n-]2)c1 ZINC001576533704 962470286 /nfs/dbraw/zinc/47/02/86/962470286.db2.gz GKJAYALDIJXTHN-UHFFFAOYSA-N -1 3 299.378 3.119 20 0 CGADHM CCC(C)(C)C(=O)Nc1ccc(C2CC2)c(-c2nn[n-]n2)c1 ZINC001576533704 962470299 /nfs/dbraw/zinc/47/02/99/962470299.db2.gz GKJAYALDIJXTHN-UHFFFAOYSA-N -1 3 299.378 3.119 20 0 CGADHM Cc1cc(Cl)cc(-c2nnn[n-]2)c1O[C@H]1C=CCCC1 ZINC001580928896 962751737 /nfs/dbraw/zinc/75/17/37/962751737.db2.gz DEFGJKBNXMFVRY-NSHDSACASA-N -1 3 290.754 3.316 20 0 CGADHM Cc1cc(Cl)cc(-c2nn[n-]n2)c1O[C@H]1C=CCCC1 ZINC001580928896 962751746 /nfs/dbraw/zinc/75/17/46/962751746.db2.gz DEFGJKBNXMFVRY-NSHDSACASA-N -1 3 290.754 3.316 20 0 CGADHM Cc1ccc(SC/C=C/Cl)c(-c2nnn[n-]2)c1 ZINC001581213610 962754496 /nfs/dbraw/zinc/75/44/96/962754496.db2.gz AYLYMMFNRJQJAV-GORDUTHDSA-N -1 3 266.757 3.020 20 0 CGADHM Cc1ccc(SC/C=C/Cl)c(-c2nn[n-]n2)c1 ZINC001581213610 962754502 /nfs/dbraw/zinc/75/45/02/962754502.db2.gz AYLYMMFNRJQJAV-GORDUTHDSA-N -1 3 266.757 3.020 20 0 CGADHM c1ccc(N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)cc1 ZINC001582819421 962758979 /nfs/dbraw/zinc/75/89/79/962758979.db2.gz SGHFNYLCDQVSGH-UHFFFAOYSA-N -1 3 291.358 3.036 20 0 CGADHM c1ccc(N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)cc1 ZINC001582819421 962758993 /nfs/dbraw/zinc/75/89/93/962758993.db2.gz SGHFNYLCDQVSGH-UHFFFAOYSA-N -1 3 291.358 3.036 20 0 CGADHM CC(C)c1cc([N-]C(=O)c2sccc2F)no1 ZINC001586726811 963134703 /nfs/dbraw/zinc/13/47/03/963134703.db2.gz RPMGXCWTYLECDH-UHFFFAOYSA-N -1 3 254.286 3.251 20 0 CGADHM CC(C)(C)CC(C)(C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001589118751 963346107 /nfs/dbraw/zinc/34/61/07/963346107.db2.gz KMKPIHHCUNDPPT-UHFFFAOYSA-N -1 3 292.362 3.028 20 0 CGADHM CC(C)(C)CC(C)(C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001589118751 963346114 /nfs/dbraw/zinc/34/61/14/963346114.db2.gz KMKPIHHCUNDPPT-UHFFFAOYSA-N -1 3 292.362 3.028 20 0 CGADHM Cc1c(C(=O)[O-])cc(CN[C@H](C)c2ccc(C)cc2)n1C ZINC000314081759 963708129 /nfs/dbraw/zinc/70/81/29/963708129.db2.gz WDPOBGQZBANZSX-GFCCVEGCSA-N -1 3 286.375 3.191 20 0 CGADHM CC(C)CCC[C@H](C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001589596039 963999567 /nfs/dbraw/zinc/99/95/67/963999567.db2.gz MXHWBAIEOSRCDS-JTQLQIEISA-N -1 3 292.362 3.028 20 0 CGADHM CC(C)CCC[C@H](C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001589596039 963999572 /nfs/dbraw/zinc/99/95/72/963999572.db2.gz MXHWBAIEOSRCDS-JTQLQIEISA-N -1 3 292.362 3.028 20 0 CGADHM C[C@@H](COc1ccccc1)N[C@@H](C)c1cc(C(=O)[O-])co1 ZINC001592783189 979421569 /nfs/dbraw/zinc/42/15/69/979421569.db2.gz QVMIIQDRYDBBSV-RYUDHWBXSA-N -1 3 289.331 3.096 20 0 CGADHM CCC1CN(Cc2ccc(-c3ccccc3C(=O)[O-])o2)C1 ZINC001595487087 981231503 /nfs/dbraw/zinc/23/15/03/981231503.db2.gz IALASMZJESNIMA-UHFFFAOYSA-N -1 3 285.343 3.487 20 0 CGADHM CCCCCN[C@@H](C(=O)[O-])c1c(F)cccc1Cl ZINC001595722330 982340482 /nfs/dbraw/zinc/34/04/82/982340482.db2.gz WRPYJAMYVPJWQT-GFCCVEGCSA-N -1 3 273.735 3.385 20 0 CGADHM Cc1[nH]c(CNCc2cccc(C(F)F)c2)cc1C(=O)[O-] ZINC001599962579 985816488 /nfs/dbraw/zinc/81/64/88/985816488.db2.gz AMJYXKQWPKPEMX-UHFFFAOYSA-N -1 3 294.301 3.249 20 0 CGADHM CC[C@H](NCc1ccc(C(=O)[O-])[nH]1)c1ccc(C)c(F)c1 ZINC001597349522 987485972 /nfs/dbraw/zinc/48/59/72/987485972.db2.gz NBWZZSYXMXOQRA-AWEZNQCLSA-N -1 3 290.338 3.401 20 0 CGADHM CCc1[nH]c(CN[C@H](C)c2ccccc2)cc1C(=O)[O-] ZINC001597392793 987627935 /nfs/dbraw/zinc/62/79/35/987627935.db2.gz XFKMMSUVENNCCN-LLVKDONJSA-N -1 3 272.348 3.126 20 0 CGADHM CSc1ccccc1[C@H](C)NCc1c[nH]c(C(=O)[O-])c1 ZINC001599825468 988591609 /nfs/dbraw/zinc/59/16/09/988591609.db2.gz ASGGUHNJRBVJGL-JTQLQIEISA-N -1 3 290.388 3.286 20 0 CGADHM CCc1cnccc1[C@H](C)NCc1csc(C(=O)[O-])c1 ZINC001597637187 988622512 /nfs/dbraw/zinc/62/25/12/988622512.db2.gz YOQZAXFSMOONKM-JTQLQIEISA-N -1 3 290.388 3.255 20 0 CGADHM C[C@@H](N[C@@H](C(=O)[O-])c1cccnc1)c1ccc2c(c1)CCC2 ZINC001599841188 988834124 /nfs/dbraw/zinc/83/41/24/988834124.db2.gz PVYCOBKMAGHAOF-SJKOYZFVSA-N -1 3 296.370 3.047 20 0 CGADHM CC(C)(C)SCCNCc1ccc(C(=O)[O-])cc1F ZINC001590429783 989986884 /nfs/dbraw/zinc/98/68/84/989986884.db2.gz IZWZAUXLGLXGJX-UHFFFAOYSA-N -1 3 285.384 3.145 20 0 CGADHM CC(C)N(CCC(=O)[O-])Cc1nc2ccc(F)cc2s1 ZINC001591586966 992793998 /nfs/dbraw/zinc/79/39/98/992793998.db2.gz DLWDDICFKBURHK-UHFFFAOYSA-N -1 3 296.367 3.121 20 0 CGADHM C[C@H](NCc1c[nH]c(C(=O)[O-])c1)c1ccc(Cl)c(F)c1 ZINC001593286133 994641057 /nfs/dbraw/zinc/64/10/57/994641057.db2.gz ODWJUNLSCZNPAG-QMMMGPOBSA-N -1 3 296.729 3.356 20 0 CGADHM C[C@@H](c1nc2ccccc2o1)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001593734376 996324170 /nfs/dbraw/zinc/32/41/70/996324170.db2.gz TVKBEZSCKUPYIK-MEDUHNTESA-N -1 3 288.347 3.076 20 0 CGADHM CC1(C)CCCN(Cc2[nH]cc(C(=O)[O-])c2C2CC2)C1 ZINC001593910516 996793678 /nfs/dbraw/zinc/79/36/78/996793678.db2.gz WVHLQJMLSATTJN-UHFFFAOYSA-N -1 3 276.380 3.212 20 0 CGADHM COC[C@@H](CC(C)(C)C)N[C@H](C)c1cc(C(=O)[O-])co1 ZINC001599162829 998488205 /nfs/dbraw/zinc/48/82/05/998488205.db2.gz LITKIMAHTWDXIN-ZYHUDNBSSA-N -1 3 283.368 3.080 20 0 CGADHM CO[C@@H](CN[C@H](C)c1cc(C(=O)[O-])co1)c1ccccc1 ZINC001599053365 999203930 /nfs/dbraw/zinc/20/39/30/999203930.db2.gz DPPTYDQQXPWCDT-ABAIWWIYSA-N -1 3 289.331 3.016 20 0 CGADHM CCO[C@@H](C)C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000337665377 214206046 /nfs/dbraw/zinc/20/60/46/214206046.db2.gz TXWWACMJTIYLBN-JTQLQIEISA-N -1 3 265.353 3.053 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)[C@@H]2CCC[C@H]3C[C@H]32)c1-c1ccccc1 ZINC000621809372 349594223 /nfs/dbraw/zinc/59/42/23/349594223.db2.gz VBJRAWAAMASSHJ-RRFJBIMHSA-N -1 3 295.386 3.182 20 0 CGADHM C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)c1cc(F)c[n-]c1=O ZINC000622054903 349623711 /nfs/dbraw/zinc/62/37/11/349623711.db2.gz TWKFHQOSWLLEJV-GHMZBOCLSA-N -1 3 294.370 3.213 20 0 CGADHM CC(C)[C@@H]1CCN1C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622090687 349627558 /nfs/dbraw/zinc/62/75/58/349627558.db2.gz SPABLKQFRXPZOR-LBPRGKRZSA-N -1 3 287.281 3.282 20 0 CGADHM CN(C(=O)c1cc(F)c[n-]c1=O)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000622110021 349631306 /nfs/dbraw/zinc/63/13/06/349631306.db2.gz KSXPKEURSLQOHL-QWHCGFSZSA-N -1 3 294.370 3.213 20 0 CGADHM CC[C@@H](CCC(=O)[O-])NCc1c(F)cc(C)cc1F ZINC000424615564 529463389 /nfs/dbraw/zinc/46/33/89/529463389.db2.gz ILVAZGFQVOVZDR-JTQLQIEISA-N -1 3 271.307 3.006 20 0 CGADHM Cc1cccc(NC(=O)Cc2ccc([O-])c(F)c2)c1 ZINC000622272881 349666123 /nfs/dbraw/zinc/66/61/23/349666123.db2.gz NSMHOOBCSKTKKE-UHFFFAOYSA-N -1 3 259.280 3.021 20 0 CGADHM CC(C)c1ccc(C(=O)NC[C@H]2CCC(C)(C)O2)c([O-])c1 ZINC000622527987 349684817 /nfs/dbraw/zinc/68/48/17/349684817.db2.gz NVSFXQDNSOQMAK-CYBMUJFWSA-N -1 3 291.391 3.203 20 0 CGADHM COC1(CNC(=O)c2ccc(C)c(C)c2[O-])CCCCC1 ZINC000622520489 349683667 /nfs/dbraw/zinc/68/36/67/349683667.db2.gz VSZYZCLAJKWWSJ-UHFFFAOYSA-N -1 3 291.391 3.088 20 0 CGADHM Cc1ccc(C(=O)Nc2ccccc2OCCF)c([O-])c1 ZINC000622629552 349691514 /nfs/dbraw/zinc/69/15/14/349691514.db2.gz SWCPWXFAGRJRNP-UHFFFAOYSA-N -1 3 289.306 3.301 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2Cc3cccc(F)c3C2)c1 ZINC000622693210 349695177 /nfs/dbraw/zinc/69/51/77/349695177.db2.gz AIMYBWCASQJIAN-UHFFFAOYSA-N -1 3 285.318 3.250 20 0 CGADHM CCc1ccc(C(=O)N2CC3(CCC3)C[C@H]2C)c([O-])c1 ZINC000436953450 529594679 /nfs/dbraw/zinc/59/46/79/529594679.db2.gz PNUKCDLYAMWIIV-GFCCVEGCSA-N -1 3 273.376 3.359 20 0 CGADHM CCc1ccc(C(=O)Nc2cccc3[nH]cnc32)c([O-])c1 ZINC000436833089 529610786 /nfs/dbraw/zinc/61/07/86/529610786.db2.gz LBBGNMSCFMJMPB-UHFFFAOYSA-N -1 3 281.315 3.083 20 0 CGADHM CCc1ccc(C(=O)NC[C@@H](OC)c2ccccc2)c([O-])c1 ZINC000436798604 529603760 /nfs/dbraw/zinc/60/37/60/529603760.db2.gz UMUDHEAEZDDQOH-QGZVFWFLSA-N -1 3 299.370 3.072 20 0 CGADHM CC[C@H](C(=O)Nc1ccc([O-])cc1F)c1c(C)noc1C ZINC000358153757 529621446 /nfs/dbraw/zinc/62/14/46/529621446.db2.gz QAMFPVZCYBXOPO-NSHDSACASA-N -1 3 292.310 3.268 20 0 CGADHM CCc1cnccc1-c1noc(-c2ccc(C)cc2[O-])n1 ZINC000165312766 529668788 /nfs/dbraw/zinc/66/87/88/529668788.db2.gz JYMRDIKOUQWHLU-UHFFFAOYSA-N -1 3 281.315 3.375 20 0 CGADHM COc1ccc(C(=O)N[C@@H]2CCc3c2cccc3C)c([O-])c1 ZINC000591465122 346924867 /nfs/dbraw/zinc/92/48/67/346924867.db2.gz ZPOGRDDOYKQRLM-MRXNPFEDSA-N -1 3 297.354 3.127 20 0 CGADHM CCS[C@@H](C)c1noc(-c2cc(OC)ccc2[O-])n1 ZINC000273890042 192351315 /nfs/dbraw/zinc/35/13/15/192351315.db2.gz JDHDVYUYJJUXKJ-QMMMGPOBSA-N -1 3 280.349 3.265 20 0 CGADHM C[C@H](C(=O)Nc1cc(Br)ccc1[O-])C1CC1 ZINC000126684007 187256113 /nfs/dbraw/zinc/25/61/13/187256113.db2.gz LLKYCQBRXDEXET-ZETCQYMHSA-N -1 3 284.153 3.139 20 0 CGADHM CC(=O)c1ccc(C(=O)N2CC[C@H](C)c3cccc([O-])c32)o1 ZINC000335862941 136378345 /nfs/dbraw/zinc/37/83/45/136378345.db2.gz NTUVRXKRDFMISW-JTQLQIEISA-N -1 3 299.326 3.342 20 0 CGADHM CCc1ccc([O-])c(C(=O)NC[C@@H]2Cc3ccccc32)c1 ZINC000623478820 349816371 /nfs/dbraw/zinc/81/63/71/349816371.db2.gz APNQXBBJCSJXNT-AWEZNQCLSA-N -1 3 281.355 3.024 20 0 CGADHM CCN(C(=O)c1csc(=O)[n-]1)[C@@H](C)Cc1ccsc1 ZINC000351439969 219097942 /nfs/dbraw/zinc/09/79/42/219097942.db2.gz ZTDSQWSJYLHIJL-VIFPVBQESA-N -1 3 296.417 3.004 20 0 CGADHM CN(CC1CCC1)C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436559544 529863227 /nfs/dbraw/zinc/86/32/27/529863227.db2.gz XJQKYNNNWDSOKX-UHFFFAOYSA-N -1 3 273.376 3.143 20 0 CGADHM O=c1ccn(-c2ccc(NC[C@@H]3CC=CCC3)cc2)[n-]1 ZINC000623777185 349882297 /nfs/dbraw/zinc/88/22/97/349882297.db2.gz SYQPTLNTISPDFJ-CYBMUJFWSA-N -1 3 269.348 3.346 20 0 CGADHM O=C(Nc1ncccc1[O-])c1cc2cc(Cl)ccc2o1 ZINC000022264837 344895343 /nfs/dbraw/zinc/89/53/43/344895343.db2.gz XYHZBMCHOHXFEE-UHFFFAOYSA-N -1 3 288.690 3.439 20 0 CGADHM O=c1[n-]c(CN2CCCCCC2)nc2c3ccccc3oc21 ZINC000023693705 344898402 /nfs/dbraw/zinc/89/84/02/344898402.db2.gz JSPGQZDYRQQKBN-UHFFFAOYSA-N -1 3 297.358 3.458 20 0 CGADHM COc1ccc(NC(=O)c2c[n-]nc2-c2ccccc2)cc1 ZINC000028927521 344915372 /nfs/dbraw/zinc/91/53/72/344915372.db2.gz VZOXPRBQLCKWJU-UHFFFAOYSA-N -1 3 293.326 3.338 20 0 CGADHM CCC(=O)Nc1ccc(NC(=O)c2cc(C)ccc2[O-])cc1 ZINC000044791845 345016819 /nfs/dbraw/zinc/01/68/19/345016819.db2.gz GBZNTRBBNWIMQE-UHFFFAOYSA-N -1 3 298.342 3.301 20 0 CGADHM Cc1ccccc1OCC(=O)Nc1cc(Cl)ccc1[O-] ZINC000069693041 345383727 /nfs/dbraw/zinc/38/37/27/345383727.db2.gz FOYSXLCUQYRUKO-UHFFFAOYSA-N -1 3 291.734 3.372 20 0 CGADHM CN(CC1CC1)[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000076522319 345545671 /nfs/dbraw/zinc/54/56/71/345545671.db2.gz WDNNXJJGOUYWIW-LBPRGKRZSA-N -1 3 288.174 3.461 20 0 CGADHM CC[C@@H]1CCCN(Cc2cc(C(=O)[O-])c(C)o2)CC1 ZINC000079348605 345637748 /nfs/dbraw/zinc/63/77/48/345637748.db2.gz XDVJPEZZXGKZCB-GFCCVEGCSA-N -1 3 265.353 3.298 20 0 CGADHM C[C@@H](c1cccc(F)c1)N1CCC(CCC(=O)[O-])CC1 ZINC000086755811 345750499 /nfs/dbraw/zinc/75/04/99/345750499.db2.gz AQHOYNJICLGYGJ-LBPRGKRZSA-N -1 3 279.355 3.464 20 0 CGADHM C[C@H](CCC[C@H](C)NCc1ccc(F)cc1F)C(=O)[O-] ZINC000087678009 345756656 /nfs/dbraw/zinc/75/66/56/345756656.db2.gz FUCIEIJJKUNXSG-MNOVXSKESA-N -1 3 285.334 3.334 20 0 CGADHM CCc1cccc(C(=O)N2CCS[C@@H](C(C)C)C2)c1[O-] ZINC000081793183 345718775 /nfs/dbraw/zinc/71/87/75/345718775.db2.gz WZSGOKDJAOQILP-CQSZACIVSA-N -1 3 293.432 3.168 20 0 CGADHM CCc1cccc(C(=O)N2CCC[C@H]3CCC[C@@H]32)c1[O-] ZINC000091682036 345820675 /nfs/dbraw/zinc/82/06/75/345820675.db2.gz DGEGWJAZBVYZJT-HIFRSBDPSA-N -1 3 273.376 3.359 20 0 CGADHM CC(C)(C)C[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000113292372 345960227 /nfs/dbraw/zinc/96/02/27/345960227.db2.gz OOHXQWPWUPTPIF-UHFFFAOYSA-N -1 3 296.219 3.318 20 0 CGADHM CCCC[C@H](C(=O)[O-])N(C)Cc1ccccc1Cl ZINC000132565389 346072109 /nfs/dbraw/zinc/07/21/09/346072109.db2.gz CPFWUAFPXKNFBF-CYBMUJFWSA-N -1 3 269.772 3.415 20 0 CGADHM CC(C)(C)CC(C)(C)NC(=O)Cc1ccc([O-])c(F)c1 ZINC000145625805 346121004 /nfs/dbraw/zinc/12/10/04/346121004.db2.gz SJOZGJDABFZTGD-UHFFFAOYSA-N -1 3 281.371 3.405 20 0 CGADHM CCSc1ccc(C(=O)Nc2ncccc2[O-])cc1 ZINC000351692665 219177743 /nfs/dbraw/zinc/17/77/43/219177743.db2.gz JGOLWGGQXBGYSC-UHFFFAOYSA-N -1 3 274.345 3.152 20 0 CGADHM O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1cccc(Cl)c1F ZINC000229214908 346316238 /nfs/dbraw/zinc/31/62/38/346316238.db2.gz AFCNTFCDUXTJLW-UDZFHETQSA-N -1 3 297.757 3.164 20 0 CGADHM CC[C@@H]1CC[C@@H](C)N(C(=O)c2cc(OC)ccc2[O-])C1 ZINC000312293486 346476618 /nfs/dbraw/zinc/47/66/18/346476618.db2.gz VGHRJVPOAWZAKO-VXGBXAGGSA-N -1 3 277.364 3.052 20 0 CGADHM COc1ccc([O-])c(-c2nc(-c3ccc(C)o3)no2)c1 ZINC000350802414 346524627 /nfs/dbraw/zinc/52/46/27/346524627.db2.gz BECQGVKNTYHYOA-UHFFFAOYSA-N -1 3 272.260 3.019 20 0 CGADHM Cc1cccc(C(=O)N[C@@H](C2CC2)C2CCC2)c1[O-] ZINC000325298798 346491518 /nfs/dbraw/zinc/49/15/18/346491518.db2.gz PAUCPCFUBCYKSI-CQSZACIVSA-N -1 3 259.349 3.009 20 0 CGADHM O=C([O-])[C@@H]1CC12CCN(Cc1cc3ccccc3o1)CC2 ZINC000405409272 346603704 /nfs/dbraw/zinc/60/37/04/346603704.db2.gz VXWHTNIKAKDCHT-AWEZNQCLSA-N -1 3 285.343 3.120 20 0 CGADHM CCSCC[C@@H](C)N(C)Cc1csc(C(=O)[O-])c1 ZINC000593740353 347110116 /nfs/dbraw/zinc/11/01/16/347110116.db2.gz VHHLPSDIWWWLMR-SNVBAGLBSA-N -1 3 287.450 3.410 20 0 CGADHM [O-]c1cccc(CNCc2ccc(O)c(F)c2)c1Cl ZINC000339275062 215058083 /nfs/dbraw/zinc/05/80/83/215058083.db2.gz PXHKNKHZTYGEHN-UHFFFAOYSA-N -1 3 281.714 3.180 20 0 CGADHM CCCSCC(=O)Nc1ccc([O-])cc1Cl ZINC000597857519 347595878 /nfs/dbraw/zinc/59/58/78/347595878.db2.gz MVOLKUMEIUYDBE-UHFFFAOYSA-N -1 3 259.758 3.127 20 0 CGADHM COc1ccc([O-])c(C(=O)N[C@@H]2c3ccccc3C[C@@H]2C)c1 ZINC000599901836 347774392 /nfs/dbraw/zinc/77/43/92/347774392.db2.gz FFJSHHQPWFUNSZ-GTNSWQLSSA-N -1 3 297.354 3.064 20 0 CGADHM CCc1ccc([O-])c(C(=O)N[C@@H]2CCC[C@@H](SC)C2)c1 ZINC000609771758 348352606 /nfs/dbraw/zinc/35/26/06/348352606.db2.gz BTXSKVLHARCJNW-CHWSQXEVSA-N -1 3 293.432 3.359 20 0 CGADHM CC(C)SCC(=O)Nc1ccc(Cl)cc1[O-] ZINC000611102038 348422216 /nfs/dbraw/zinc/42/22/16/348422216.db2.gz YHFYIQHJAJDJFK-UHFFFAOYSA-N -1 3 259.758 3.126 20 0 CGADHM O=C(Nc1ccc(Cl)cc1[O-])[C@@H]1CCC[C@H]2C[C@H]21 ZINC000613025756 348559891 /nfs/dbraw/zinc/55/98/91/348559891.db2.gz CUQDTWJVRUNOPQ-JMJZKYOTSA-N -1 3 265.740 3.420 20 0 CGADHM CCCc1ccc(-c2cc(=NC(=O)[C@H]3C[C@H]3C)[nH][n-]2)cc1 ZINC000615853533 348769039 /nfs/dbraw/zinc/76/90/39/348769039.db2.gz RACJEOUQHLNMLP-RISCZKNCSA-N -1 3 283.375 3.046 20 0 CGADHM C[C@@H]1CCCC[C@H]1C(=O)NCc1ccc([O-])c2ncccc12 ZINC000616021133 348781751 /nfs/dbraw/zinc/78/17/51/348781751.db2.gz VRLHCURZZUYRER-TZMCWYRMSA-N -1 3 298.386 3.383 20 0 CGADHM CC(=O)c1ccc(C(=O)N[C@]2(C)CCCC[C@@H]2C)cc1[O-] ZINC000616189622 348796356 /nfs/dbraw/zinc/79/63/56/348796356.db2.gz RDCHTBWOEITZBT-APPDUMDISA-N -1 3 289.375 3.293 20 0 CGADHM C[C@@H]1CC[C@H](CCC(=O)Nc2ccc([O-])cc2Cl)O1 ZINC000616941099 348885071 /nfs/dbraw/zinc/88/50/71/348885071.db2.gz RGAULYXUTDMHBG-MWLCHTKSSA-N -1 3 283.755 3.332 20 0 CGADHM Cc1nn(C(C)C)cc1C(=O)Nc1ccc([O-])cc1Cl ZINC000616943135 348885550 /nfs/dbraw/zinc/88/55/50/348885550.db2.gz PYWSRERSJPKCHC-UHFFFAOYSA-N -1 3 293.754 3.384 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-]CC[C@H]2CCC[C@H](C)C2)o1 ZINC000358426038 233131124 /nfs/dbraw/zinc/13/11/24/233131124.db2.gz MKKYSCCYYNODIS-WCQYABFASA-N -1 3 285.409 3.083 20 0 CGADHM O=C(c1ccccc1[O-])N1CC[C@@H](C2CCCCC2)C1 ZINC000618182350 349057628 /nfs/dbraw/zinc/05/76/28/349057628.db2.gz FSMQJAAAODHSEY-CQSZACIVSA-N -1 3 273.376 3.435 20 0 CGADHM CCc1ccc(C(=O)N2CCC[C@H](CCF)C2)c([O-])c1 ZINC000618696820 349146684 /nfs/dbraw/zinc/14/66/84/349146684.db2.gz IGCXDRRAUANBDY-CYBMUJFWSA-N -1 3 279.355 3.166 20 0 CGADHM Cc1ccc(C(=O)N2CCC[C@H](CCF)C2)c([O-])c1C ZINC000618699030 349147694 /nfs/dbraw/zinc/14/76/94/349147694.db2.gz ULVVHCUPFAXROI-CYBMUJFWSA-N -1 3 279.355 3.221 20 0 CGADHM C[C@@]1(CNC(=O)c2cc3c(cc2[O-])CCCC3)CC1(F)F ZINC000618600027 349118321 /nfs/dbraw/zinc/11/83/21/349118321.db2.gz DYLWUIAZLADMSX-HNNXBMFYSA-N -1 3 295.329 3.046 20 0 CGADHM CCc1cc(C(=O)N[C@](C)(CC)C2CC2)ccc1[O-] ZINC000618959742 349185596 /nfs/dbraw/zinc/18/55/96/349185596.db2.gz AVYCUGUBGJYXBM-MRXNPFEDSA-N -1 3 261.365 3.263 20 0 CGADHM CC(C)CC1(NC(=O)c2cc([O-])ccc2Cl)CC1 ZINC000620284734 349350887 /nfs/dbraw/zinc/35/08/87/349350887.db2.gz IHFKGLIEUHAGJR-UHFFFAOYSA-N -1 3 267.756 3.354 20 0 CGADHM CCc1cc(C(=O)NC(C)(C2CC2)C2CC2)ccc1[O-] ZINC000620024145 349307524 /nfs/dbraw/zinc/30/75/24/349307524.db2.gz FCSOIVVBCVNUQT-UHFFFAOYSA-N -1 3 273.376 3.263 20 0 CGADHM CC(C)OC1CCN(Cc2cc([O-])ccc2Cl)CC1 ZINC000625157751 350134767 /nfs/dbraw/zinc/13/47/67/350134767.db2.gz QGARWJUZGRZRTP-UHFFFAOYSA-N -1 3 283.799 3.435 20 0 CGADHM CCN(Cc1ccccn1)Cc1cc([O-])ccc1Cl ZINC000625226120 350144363 /nfs/dbraw/zinc/14/43/63/350144363.db2.gz YEVHNVUHYPPNJH-UHFFFAOYSA-N -1 3 276.767 3.463 20 0 CGADHM Cc1cc(CNCc2c(F)ccc([O-])c2F)ccc1F ZINC000352072321 219311113 /nfs/dbraw/zinc/31/11/13/219311113.db2.gz UOCUGMWFDRDJKA-UHFFFAOYSA-N -1 3 281.277 3.408 20 0 CGADHM [O-]c1ccc(Cl)c(CN2C[C@@H]3CCCC[C@@H]32)c1 ZINC000625519456 350180747 /nfs/dbraw/zinc/18/07/47/350180747.db2.gz NZCHXFLLJKQJBI-HZMBPMFUSA-N -1 3 251.757 3.420 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CCC[C@@H]2CCC[C@@H]21 ZINC000625840566 350218664 /nfs/dbraw/zinc/21/86/64/350218664.db2.gz QLZZTOQHELULSQ-STQMWFEESA-N -1 3 259.349 3.105 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1C[C@H](C)C[C@H](C)[C@@H]1C ZINC000626631216 350325329 /nfs/dbraw/zinc/32/53/29/350325329.db2.gz UVCIYFSBGOLSTQ-WXHSDQCUSA-N -1 3 261.365 3.207 20 0 CGADHM Cc1c(NC(=O)c2c(C)cccc2[O-])cnn1CC(C)C ZINC000626323307 350295519 /nfs/dbraw/zinc/29/55/19/350295519.db2.gz ZRLKGKJODKDCCB-UHFFFAOYSA-N -1 3 287.363 3.114 20 0 CGADHM Cc1ccc([O-])c(NC(=O)CC2CCC(F)(F)CC2)n1 ZINC000626704234 350334013 /nfs/dbraw/zinc/33/40/13/350334013.db2.gz LHLVGIDBRDCLDD-UHFFFAOYSA-N -1 3 284.306 3.250 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CC[C@H](C2CCCC2)C1 ZINC000627791274 350382774 /nfs/dbraw/zinc/38/27/74/350382774.db2.gz PQZIOHUBXRVRSX-AWEZNQCLSA-N -1 3 273.376 3.353 20 0 CGADHM Cc1ccc(CC2CN(C(=O)c3c(C)cccc3[O-])C2)cc1 ZINC000628103571 350399342 /nfs/dbraw/zinc/39/93/42/350399342.db2.gz JRUSFOZPGSXSJK-UHFFFAOYSA-N -1 3 295.382 3.324 20 0 CGADHM CCc1cc(C(=O)N2C[C@@H](C)C(F)(F)[C@@H](C)C2)ccc1[O-] ZINC000628400983 350527359 /nfs/dbraw/zinc/52/73/59/350527359.db2.gz NERUCWVYYBYCMT-PHIMTYICSA-N -1 3 297.345 3.318 20 0 CGADHM COc1ccc([O-])c(C(=O)N2CC(C)(C)CCC2(C)C)c1 ZINC000628531887 350567197 /nfs/dbraw/zinc/56/71/97/350567197.db2.gz MHPHLMFJPYZPHV-UHFFFAOYSA-N -1 3 291.391 3.442 20 0 CGADHM CCCn1c(=O)[n-]nc1SCc1ccc(C)c(F)c1 ZINC000629096360 350650662 /nfs/dbraw/zinc/65/06/62/350650662.db2.gz NZALLHYUWVMMFI-UHFFFAOYSA-N -1 3 281.356 3.134 20 0 CGADHM O=C([O-])[C@@H]1CCN(Cc2ccc(Cl)cc2)[C@H]2CCC[C@@H]21 ZINC000629372806 350681462 /nfs/dbraw/zinc/68/14/62/350681462.db2.gz IALVDAYCIICWGS-KFWWJZLASA-N -1 3 293.794 3.415 20 0 CGADHM O=C([O-])[C@@H]1CCN(Cc2sccc2Cl)[C@@H]2CCC[C@@H]21 ZINC000629375224 350683421 /nfs/dbraw/zinc/68/34/21/350683421.db2.gz YLSUEBBKVJJTFM-CKYFFXLPSA-N -1 3 299.823 3.477 20 0 CGADHM C/C=C\C[C@@H]1CCCN(C(=O)Cc2ccc([O-])c(F)c2)C1 ZINC000629869891 350778119 /nfs/dbraw/zinc/77/81/19/350778119.db2.gz KGKFTNZDPVWGSF-XQJDBVBESA-N -1 3 291.366 3.279 20 0 CGADHM C/C=C\C[C@@H]1CCCN(C(=O)c2cc(OC)ccc2[O-])C1 ZINC000629878674 350783848 /nfs/dbraw/zinc/78/38/48/350783848.db2.gz OSYXAENJERRUKI-DHCBQETCSA-N -1 3 289.375 3.219 20 0 CGADHM CCCC[C@@H](NCc1c(F)ccc(F)c1Cl)C(=O)[O-] ZINC000630456107 350842678 /nfs/dbraw/zinc/84/26/78/350842678.db2.gz NUGRNYNSSZCZTN-LLVKDONJSA-N -1 3 291.725 3.351 20 0 CGADHM Cc1nc(CNC[C@H](CC(=O)[O-])C2CCCCC2)cs1 ZINC000630473648 350846019 /nfs/dbraw/zinc/84/60/19/350846019.db2.gz VBVWCXJOACWESS-ZDUSSCGKSA-N -1 3 296.436 3.212 20 0 CGADHM CCOC(C)(C)C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000632147598 351172843 /nfs/dbraw/zinc/17/28/43/351172843.db2.gz VJGDSLJVJCNSHA-UHFFFAOYSA-N -1 3 271.744 3.108 20 0 CGADHM CCc1cc(C(=O)N2CC(c3ccccc3)C2)ccc1[O-] ZINC000633812487 351382359 /nfs/dbraw/zinc/38/23/59/351382359.db2.gz YDIBOJRFEBGBSL-UHFFFAOYSA-N -1 3 281.355 3.194 20 0 CGADHM CCc1cc(C(=O)N(Cc2ccncc2)C2CC2)ccc1[O-] ZINC000291415879 198015351 /nfs/dbraw/zinc/01/53/51/198015351.db2.gz CTLBHUSVCXDPNV-UHFFFAOYSA-N -1 3 296.370 3.154 20 0 CGADHM CSc1ccc([O-])c(C(=O)N2CCC(C)(F)CC2)c1 ZINC000634362361 351477280 /nfs/dbraw/zinc/47/72/80/351477280.db2.gz MLQUNSBSCIUSOW-UHFFFAOYSA-N -1 3 283.368 3.078 20 0 CGADHM COCc1cccc(COc2ccc3c([O-])coc3c2C)c1 ZINC000634560454 351514750 /nfs/dbraw/zinc/51/47/50/351514750.db2.gz JPADCQXNWSEULV-UHFFFAOYSA-N -1 3 298.338 3.296 20 0 CGADHM CCc1ccc(-c2nc(COC3CCC3)no2)c([O-])c1 ZINC000634672579 351560836 /nfs/dbraw/zinc/56/08/36/351560836.db2.gz ZNTPSQHYAWQERI-UHFFFAOYSA-N -1 3 274.320 3.074 20 0 CGADHM Cc1cc(C)c(CN2CCC(CCC(=O)[O-])CC2)c(C)n1 ZINC000635019340 351632892 /nfs/dbraw/zinc/63/28/92/351632892.db2.gz VNKWHTWGXZVZOR-UHFFFAOYSA-N -1 3 290.407 3.084 20 0 CGADHM CC(C)CCN(CCC(C)C)Cc1cc(C(=O)[O-])nn1C ZINC000635300539 351649730 /nfs/dbraw/zinc/64/97/30/351649730.db2.gz PSGQJWFIOINNGE-UHFFFAOYSA-N -1 3 295.427 3.013 20 0 CGADHM C[C@@H](C(=O)Nc1cc(Cl)ccc1[O-])c1ccccn1 ZINC000336499907 213374379 /nfs/dbraw/zinc/37/43/79/213374379.db2.gz DXRCZFYBDBLGLE-SECBINFHSA-N -1 3 276.723 3.183 20 0 CGADHM C[C@H](C(=O)Nc1cc(Cl)ccc1[O-])c1ccccn1 ZINC000336499908 213373846 /nfs/dbraw/zinc/37/38/46/213373846.db2.gz DXRCZFYBDBLGLE-VIFPVBQESA-N -1 3 276.723 3.183 20 0 CGADHM Cc1cccc2c(CCC(=O)[N-]OC/C=C/Cl)c[nH]c21 ZINC000291697272 198061987 /nfs/dbraw/zinc/06/19/87/198061987.db2.gz BYUQAIVVIAGPHA-FPYGCLRLSA-N -1 3 292.766 3.209 20 0 CGADHM Cc1ncc(C(=O)[N-]OCC(C)C)c(Cl)c1Cl ZINC000123136306 187073609 /nfs/dbraw/zinc/07/36/09/187073609.db2.gz OURIKWXLYPUOTM-UHFFFAOYSA-N -1 3 277.151 3.014 20 0 CGADHM Cc1ccc(NC(=O)[C@@](C)(O)[C@@H](C)c2ccccc2)c([O-])c1 ZINC000122532195 187036789 /nfs/dbraw/zinc/03/67/89/187036789.db2.gz HBRRQZHXRITUHD-UGSOOPFHSA-N -1 3 299.370 3.194 20 0 CGADHM CS[C@@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000124047573 187119827 /nfs/dbraw/zinc/11/98/27/187119827.db2.gz BBLDNJHQKUCWOB-ZETCQYMHSA-N -1 3 293.310 3.491 20 0 CGADHM CC1(C)CN(C(=O)c2cc(=O)c3ccccc3[n-]2)[C@@H]1C1CC1 ZINC000291939535 198111737 /nfs/dbraw/zinc/11/17/37/198111737.db2.gz PKZUXCZVZHVJHC-MRXNPFEDSA-N -1 3 296.370 3.201 20 0 CGADHM [O-]c1ccc(F)c(CNCc2ccc(F)cc2F)c1F ZINC000352273064 219388805 /nfs/dbraw/zinc/38/88/05/219388805.db2.gz LELNVIJGUBTDTI-UHFFFAOYSA-N -1 3 285.240 3.238 20 0 CGADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCC[C@H](C2CC2)C1 ZINC000292056347 198147519 /nfs/dbraw/zinc/14/75/19/198147519.db2.gz JROJSNNXJQOAMC-ZDUSSCGKSA-N -1 3 296.370 3.203 20 0 CGADHM Cc1ccc(NC(=O)[C@@H]2CCCN2c2ccccc2)c([O-])c1 ZINC000365870097 234135878 /nfs/dbraw/zinc/13/58/78/234135878.db2.gz GHLOUGPBEABKCW-INIZCTEOSA-N -1 3 296.370 3.308 20 0 CGADHM CCc1cc(C(=O)N2CC=C(C(F)(F)F)CC2)ccc1[O-] ZINC000292155142 198184904 /nfs/dbraw/zinc/18/49/04/198184904.db2.gz MTNZXTKVGUKTCG-UHFFFAOYSA-N -1 3 299.292 3.289 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)C[C@H](C)c1ccccc1OC ZINC000292176546 198192412 /nfs/dbraw/zinc/19/24/12/198192412.db2.gz MEJKPPNCNJFKSY-STQMWFEESA-N -1 3 279.380 3.283 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CC3(CCC3)[C@H]2C2CC2)c1 ZINC000292200604 198199946 /nfs/dbraw/zinc/19/99/46/198199946.db2.gz ZTONJVAJTFTUCD-OAHLLOKOSA-N -1 3 271.360 3.105 20 0 CGADHM C[C@H](CC(=O)[N-]OCc1cccnc1)C1CCCCC1 ZINC000152710945 188037907 /nfs/dbraw/zinc/03/79/07/188037907.db2.gz NFWNWWRUEAZKQI-CYBMUJFWSA-N -1 3 276.380 3.236 20 0 CGADHM CCCCCc1nnc([N-]C(=O)c2nc(C)oc2C)s1 ZINC000292474685 198301463 /nfs/dbraw/zinc/30/14/63/198301463.db2.gz LFPMNBKQBMWETA-UHFFFAOYSA-N -1 3 294.380 3.128 20 0 CGADHM [O-]C(=NOCC1CC1)Nc1ccccc1OC1CCCC1 ZINC000292669777 198370135 /nfs/dbraw/zinc/37/01/35/198370135.db2.gz OVOOXDPPVRCFBE-UHFFFAOYSA-N -1 3 290.363 3.471 20 0 CGADHM O=C([N-]OCC1CC1)Nc1ccccc1OC1CCCC1 ZINC000292669777 198370137 /nfs/dbraw/zinc/37/01/37/198370137.db2.gz OVOOXDPPVRCFBE-UHFFFAOYSA-N -1 3 290.363 3.471 20 0 CGADHM O=C(/C=C/c1ccccc1OC(F)F)[N-]OC1CCCC1 ZINC000271741302 191300697 /nfs/dbraw/zinc/30/06/97/191300697.db2.gz IRYHDFAHXXQIAJ-MDZDMXLPSA-N -1 3 297.301 3.292 20 0 CGADHM [O-]C(=NOC1CCCC1)Nc1ccc(OC(F)F)cc1 ZINC000271775213 191319549 /nfs/dbraw/zinc/31/95/49/191319549.db2.gz GPQYQUZBFOLCAQ-UHFFFAOYSA-N -1 3 286.278 3.284 20 0 CGADHM O=C([N-]OC1CCCC1)Nc1ccc(OC(F)F)cc1 ZINC000271775213 191319552 /nfs/dbraw/zinc/31/95/52/191319552.db2.gz GPQYQUZBFOLCAQ-UHFFFAOYSA-N -1 3 286.278 3.284 20 0 CGADHM CN(C)c1ccc(Cl)cc1NC([O-])=NOC1CCCC1 ZINC000271788674 191328844 /nfs/dbraw/zinc/32/88/44/191328844.db2.gz HKDWRQSKIXEJDM-UHFFFAOYSA-N -1 3 297.786 3.402 20 0 CGADHM CN(C)c1ccc(Cl)cc1NC(=O)[N-]OC1CCCC1 ZINC000271788674 191328845 /nfs/dbraw/zinc/32/88/45/191328845.db2.gz HKDWRQSKIXEJDM-UHFFFAOYSA-N -1 3 297.786 3.402 20 0 CGADHM [O-]C(=NOC1CCCC1)Nc1ccccc1Br ZINC000271821798 191349406 /nfs/dbraw/zinc/34/94/06/191349406.db2.gz QFICTTZDBFZDKQ-UHFFFAOYSA-N -1 3 299.168 3.445 20 0 CGADHM O=C([N-]OC1CCCC1)Nc1ccccc1Br ZINC000271821798 191349409 /nfs/dbraw/zinc/34/94/09/191349409.db2.gz QFICTTZDBFZDKQ-UHFFFAOYSA-N -1 3 299.168 3.445 20 0 CGADHM C[C@@H](OCc1ccccc1)C(=O)Nc1cc(F)ccc1[O-] ZINC000340329417 215541914 /nfs/dbraw/zinc/54/19/14/215541914.db2.gz DUMYEKUWRKURJI-LLVKDONJSA-N -1 3 289.306 3.075 20 0 CGADHM CCSCC[C@@H](C)N(C)C(=O)c1cccc(OC)c1[O-] ZINC000175461908 188951890 /nfs/dbraw/zinc/95/18/90/188951890.db2.gz MWGXXKRAQKRYKY-LLVKDONJSA-N -1 3 297.420 3.005 20 0 CGADHM O=[S@@](C[C@@H]1CCCC(F)(F)C1)c1cccc([O-])c1 ZINC000336327394 213172317 /nfs/dbraw/zinc/17/23/17/213172317.db2.gz ZVQCMMARHKPVDF-MGNBDDOMSA-N -1 3 274.332 3.325 20 0 CGADHM CSc1ccc(C(=O)[N-]c2nnc(C(C)(C)C)s2)o1 ZINC000112238477 138364588 /nfs/dbraw/zinc/36/45/88/138364588.db2.gz YLOBEDYBICPPRC-UHFFFAOYSA-N -1 3 297.405 3.403 20 0 CGADHM CC(C)CC1(CNC(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC000126707877 138386642 /nfs/dbraw/zinc/38/66/42/138386642.db2.gz DQZDYZLCKZNKBY-UHFFFAOYSA-N -1 3 294.370 3.157 20 0 CGADHM Cc1ccc(F)cc1NC(=O)c1n[n-]nc1-c1ccccc1 ZINC000188410797 138453582 /nfs/dbraw/zinc/45/35/82/138453582.db2.gz LFXOKSRCGWZJFX-UHFFFAOYSA-N -1 3 296.305 3.172 20 0 CGADHM Cc1ncc(C(=O)Nc2cc(Cl)ccc2[O-])s1 ZINC000336258263 213094279 /nfs/dbraw/zinc/09/42/79/213094279.db2.gz WIFFKWDKIQCHFO-UHFFFAOYSA-N -1 3 268.725 3.063 20 0 CGADHM N[C@H](CC1CCCCC1)C(=O)Nc1cccc(Cl)c1[O-] ZINC000423757440 236103379 /nfs/dbraw/zinc/10/33/79/236103379.db2.gz MHMPBXOTKSWMSN-GFCCVEGCSA-N -1 3 296.798 3.282 20 0 CGADHM Cc1cc(F)c(CN[C@@H](C)[C@H](C(=O)[O-])C(C)C)c(F)c1 ZINC000424622584 236173186 /nfs/dbraw/zinc/17/31/86/236173186.db2.gz OWWISEJKNXCLAV-IINYFYTJSA-N -1 3 285.334 3.108 20 0 CGADHM Cc1ccc([C@H](NCc2ccc(C)c(F)c2)C(=O)[O-])cc1 ZINC000426716775 236307385 /nfs/dbraw/zinc/30/73/85/236307385.db2.gz YENVQNPZBZJZBQ-INIZCTEOSA-N -1 3 287.334 3.358 20 0 CGADHM [O-]c1cccc(CNCc2ccsc2)c1Cl ZINC000328212633 138591090 /nfs/dbraw/zinc/59/10/90/138591090.db2.gz IZDKMBVNIJDSGB-UHFFFAOYSA-N -1 3 253.754 3.397 20 0 CGADHM C[C@@H]1CCN(C(=O)CCc2ccc3ccccc3c2[O-])C1 ZINC000294722560 199152895 /nfs/dbraw/zinc/15/28/95/199152895.db2.gz ZQNMYEFLBHKEGL-CYBMUJFWSA-N -1 3 283.371 3.346 20 0 CGADHM Cc1ccsc1S(=O)(=O)[N-]c1c(F)cccc1F ZINC000336184439 213003852 /nfs/dbraw/zinc/00/38/52/213003852.db2.gz ZKEOVTGFHITWDP-UHFFFAOYSA-N -1 3 289.328 3.136 20 0 CGADHM C[C@H]1Cc2ccccc2[C@H]1NC(=O)c1ccccc1[O-] ZINC000436721793 291172812 /nfs/dbraw/zinc/17/28/12/291172812.db2.gz XZTNYJOTZUICKY-ZBEGNZNMSA-N -1 3 267.328 3.056 20 0 CGADHM O=C(N[C@H]1CCC[C@@H]1c1ccccc1)c1c([O-])cccc1O ZINC000436650841 237154315 /nfs/dbraw/zinc/15/43/15/237154315.db2.gz XSHXYUUELMWUPN-KGLIPLIRSA-N -1 3 297.354 3.164 20 0 CGADHM Cc1ccccc1-c1cc(=NC(=O)[C@@H]2CC=CC[C@H]2C)[nH][n-]1 ZINC000436561445 237128329 /nfs/dbraw/zinc/12/83/29/237128329.db2.gz CEWMDZAVGZOXSZ-UKRRQHHQSA-N -1 3 295.386 3.348 20 0 CGADHM Cc1ccc(C(=O)NC[C@]2(C)CCCS2)c([O-])c1C ZINC000436586751 237137685 /nfs/dbraw/zinc/13/76/85/237137685.db2.gz USPRGGGMJGGUFL-HNNXBMFYSA-N -1 3 279.405 3.025 20 0 CGADHM Cc1cccc(CCCNC(=O)c2ccc(C)c(C)c2[O-])n1 ZINC000436827896 237189846 /nfs/dbraw/zinc/18/98/46/237189846.db2.gz VVLZVKHZJZVGCG-UHFFFAOYSA-N -1 3 298.386 3.075 20 0 CGADHM Cc1ccc(C(=O)N(C)Cc2c(F)cccc2F)c([O-])c1 ZINC000436666796 237159667 /nfs/dbraw/zinc/15/96/67/237159667.db2.gz RXMLFPBYJDFUGN-UHFFFAOYSA-N -1 3 291.297 3.251 20 0 CGADHM C[C@H]1CCC[C@@H]1Cc1nc(-c2ccc([O-])cc2)no1 ZINC000436868922 237198127 /nfs/dbraw/zinc/19/81/27/237198127.db2.gz JLEQBJFDKULVMR-CMPLNLGQSA-N -1 3 258.321 3.421 20 0 CGADHM Cc1ccc(F)c(CN(C)C(=O)c2cc(C)ccc2[O-])c1 ZINC000436998504 237229830 /nfs/dbraw/zinc/22/98/30/237229830.db2.gz HTNIWEZPOHLLMX-UHFFFAOYSA-N -1 3 287.334 3.420 20 0 CGADHM CC(C)ON=C([O-])Nc1nc(Cc2ccccc2)cs1 ZINC000297167227 200103320 /nfs/dbraw/zinc/10/33/20/200103320.db2.gz LQWKRBKTFFUSJT-UHFFFAOYSA-N -1 3 291.376 3.195 20 0 CGADHM CC(C)O[N-]C(=O)Nc1nc(Cc2ccccc2)cs1 ZINC000297167227 200103322 /nfs/dbraw/zinc/10/33/22/200103322.db2.gz LQWKRBKTFFUSJT-UHFFFAOYSA-N -1 3 291.376 3.195 20 0 CGADHM COc1ccc(C)nc1NC(=O)c1cc([O-])ccc1Cl ZINC000341785843 216103472 /nfs/dbraw/zinc/10/34/72/216103472.db2.gz ZTUCMDDNXTWJKO-UHFFFAOYSA-N -1 3 292.722 3.010 20 0 CGADHM O=C(Cc1csc2ccccc12)Nc1ncccc1[O-] ZINC000341881727 216137798 /nfs/dbraw/zinc/13/77/98/216137798.db2.gz IJEWVFJWVXBVCJ-UHFFFAOYSA-N -1 3 284.340 3.183 20 0 CGADHM CC(C)CN(CC(C)(C)C)C(=O)c1ccc2n[n-]nc2c1 ZINC000178050180 189087829 /nfs/dbraw/zinc/08/78/29/189087829.db2.gz MIFJCYGROPAZHN-UHFFFAOYSA-N -1 3 288.395 3.102 20 0 CGADHM O=C(Nc1ccccc1[O-])C1(c2ccccc2)CCOCC1 ZINC000178998404 189160392 /nfs/dbraw/zinc/16/03/92/189160392.db2.gz VUUISISOAXGLMN-UHFFFAOYSA-N -1 3 297.354 3.079 20 0 CGADHM Cc1n[nH]c2cc(NC(=O)c3ccc(C)cc3[O-])ccc12 ZINC000439061785 238225215 /nfs/dbraw/zinc/22/52/15/238225215.db2.gz VSVBXEMNSKFJQB-UHFFFAOYSA-N -1 3 281.315 3.138 20 0 CGADHM Cc1[nH]nc2cc(NC(=O)c3ccc(C)cc3[O-])ccc12 ZINC000439061785 238225219 /nfs/dbraw/zinc/22/52/19/238225219.db2.gz VSVBXEMNSKFJQB-UHFFFAOYSA-N -1 3 281.315 3.138 20 0 CGADHM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cccc([O-])c1 ZINC000182460679 189324841 /nfs/dbraw/zinc/32/48/41/189324841.db2.gz XMAXWOCZIQSHKE-XUJVJEKNSA-N -1 3 259.349 3.185 20 0 CGADHM CCS[C@H]1CCCC[C@@H]1NC(=O)c1cccc([O-])c1 ZINC000182567934 189327778 /nfs/dbraw/zinc/32/77/78/189327778.db2.gz LIZMHCZJASYZSP-KBPBESRZSA-N -1 3 279.405 3.186 20 0 CGADHM CCO[N-]C(=O)Nc1ccc2nc(C3CC3)sc2c1 ZINC000183978369 189373689 /nfs/dbraw/zinc/37/36/89/189373689.db2.gz NIZQSJMRFKLZFT-UHFFFAOYSA-N -1 3 277.349 3.247 20 0 CGADHM CO[C@@H](C)CCC(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000184136895 189377370 /nfs/dbraw/zinc/37/73/70/189377370.db2.gz GOHVODXAJLHDMY-QMMMGPOBSA-N -1 3 291.269 3.165 20 0 CGADHM COCCOc1ccc(NCc2cc([O-])cc(F)c2)cc1 ZINC000184138632 189377692 /nfs/dbraw/zinc/37/76/92/189377692.db2.gz UQJMMLXLXSQMML-UHFFFAOYSA-N -1 3 291.322 3.169 20 0 CGADHM C[C@H]1CCCC[C@H]1N(C)C(=O)Cc1ccc([O-])c(F)c1 ZINC000448656337 239009720 /nfs/dbraw/zinc/00/97/20/239009720.db2.gz NLWLFDXFZNRCMK-SMDDNHRTSA-N -1 3 279.355 3.111 20 0 CGADHM C[C@H]1CCC[C@@H](CNC(=O)Cc2ccc([O-])c(F)c2)C1 ZINC000448785616 239049159 /nfs/dbraw/zinc/04/91/59/239049159.db2.gz ZLPMMQMSEXZEOB-WCQYABFASA-N -1 3 279.355 3.016 20 0 CGADHM C[C@@H]1c2ccccc2CCN1C(=O)Cc1ccc([O-])c(F)c1 ZINC000448925972 239089528 /nfs/dbraw/zinc/08/95/28/239089528.db2.gz RIUDQMDYIJYZEN-GFCCVEGCSA-N -1 3 299.345 3.220 20 0 CGADHM Cc1ccc(-c2noc([N-][C@H](C)[C@@H]3CCCO3)n2)cc1 ZINC000302086709 201338082 /nfs/dbraw/zinc/33/80/82/201338082.db2.gz ZLZRLHZPLLZAKJ-YPMHNXCESA-N -1 3 273.336 3.024 20 0 CGADHM CCC[C@H](OC)C(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000450937820 240160748 /nfs/dbraw/zinc/16/07/48/240160748.db2.gz OPPJISYZOAMFGO-RISCZKNCSA-N -1 3 277.364 3.048 20 0 CGADHM CC1(C)CCC[C@H](NC(=O)Cc2ccc([O-])c(F)c2)C1 ZINC000451025177 240194868 /nfs/dbraw/zinc/19/48/68/240194868.db2.gz PRSIGRHSFBFJEV-LBPRGKRZSA-N -1 3 279.355 3.159 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCCc3ccccc3CC2)n1 ZINC000451715720 240347380 /nfs/dbraw/zinc/34/73/80/240347380.db2.gz KUFZOHYMHUWPJY-CQSZACIVSA-N -1 3 297.402 3.043 20 0 CGADHM CC(C)[C@H]1N(C(=O)Cc2ccc([O-])c(F)c2)CC12CCC2 ZINC000451952288 240385064 /nfs/dbraw/zinc/38/50/64/240385064.db2.gz GOOCRLJZWPVUPY-MRXNPFEDSA-N -1 3 291.366 3.111 20 0 CGADHM CCCCOC1CCN(Cc2ccc(C(=O)[O-])cc2)CC1 ZINC000455609963 241294697 /nfs/dbraw/zinc/29/46/97/241294697.db2.gz DOEUDNCDPKXHAX-UHFFFAOYSA-N -1 3 291.391 3.166 20 0 CGADHM O=C(c1cc([O-])ccc1Cl)N1C[C@H](C2CC2)[C@H]1C1CC1 ZINC000456259486 241386003 /nfs/dbraw/zinc/38/60/03/241386003.db2.gz RKEPTBCQRRVUCX-UKRRQHHQSA-N -1 3 291.778 3.306 20 0 CGADHM CCc1cc(C(=O)NC(C)(C)C2CCC2)ccc1[O-] ZINC000456171416 241372480 /nfs/dbraw/zinc/37/24/80/241372480.db2.gz QYQLEKZYXWRZHV-UHFFFAOYSA-N -1 3 261.365 3.263 20 0 CGADHM COc1ccc(C(=O)N2C[C@H](C(C)C)[C@H]2C(C)C)c([O-])c1 ZINC000456301157 241396189 /nfs/dbraw/zinc/39/61/89/241396189.db2.gz UIDQBOANDQZSLH-GDBMZVCRSA-N -1 3 291.391 3.153 20 0 CGADHM COc1ccc(C(=O)N2C[C@H](C(C)C)[C@@H]2C(C)C)c([O-])c1 ZINC000456301161 241396869 /nfs/dbraw/zinc/39/68/69/241396869.db2.gz UIDQBOANDQZSLH-ZBFHGGJFSA-N -1 3 291.391 3.153 20 0 CGADHM CN(Cc1cc(=O)[n-]c(C2CC2)n1)[C@@H]1CCc2ccccc21 ZINC000459312139 242066970 /nfs/dbraw/zinc/06/69/70/242066970.db2.gz NZCZMLDUTMKUPS-MRXNPFEDSA-N -1 3 295.386 3.179 20 0 CGADHM COc1ccc(C(=O)N2CC[C@H](c3ccccc3)C2)c([O-])c1 ZINC000121520245 370868950 /nfs/dbraw/zinc/86/89/50/370868950.db2.gz GNWQPKQQWBITMX-AWEZNQCLSA-N -1 3 297.354 3.031 20 0 CGADHM O=C(N[C@@H]1CCC[C@H](F)C1)c1cc([O-])ccc1Cl ZINC000335524038 212213009 /nfs/dbraw/zinc/21/30/09/212213009.db2.gz YCUMHDFXCWPMAG-DTWKUNHWSA-N -1 3 271.719 3.056 20 0 CGADHM O=C(Cc1cccs1)Nc1cc(Cl)ccc1[O-] ZINC000000365349 368350107 /nfs/dbraw/zinc/35/01/07/368350107.db2.gz QTRHDQSFUINIFT-UHFFFAOYSA-N -1 3 267.737 3.288 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2cnc(C(C)C)nc2)c1 ZINC000478632568 243082731 /nfs/dbraw/zinc/08/27/31/243082731.db2.gz KFVPKXGDLHWHDJ-UHFFFAOYSA-N -1 3 285.347 3.120 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CC(C)(C)[C@H]2C(C)C)c1 ZINC000480458990 243150078 /nfs/dbraw/zinc/15/00/78/243150078.db2.gz JONAOFFJXHYUCN-OAHLLOKOSA-N -1 3 275.392 3.461 20 0 CGADHM Cc1cccc(NC(=O)c2c[n-]nc2-c2ccc(F)cc2)n1 ZINC000010431118 368582297 /nfs/dbraw/zinc/58/22/97/368582297.db2.gz ABTLAXGHRPMREN-UHFFFAOYSA-N -1 3 296.305 3.172 20 0 CGADHM CCC(CC)[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000016093150 368707541 /nfs/dbraw/zinc/70/75/41/368707541.db2.gz IJQIUJXDVUORSG-UHFFFAOYSA-N -1 3 296.219 3.460 20 0 CGADHM CCOc1ccc(NC(=O)c2cccc(OC)c2[O-])cc1 ZINC000019838033 368770359 /nfs/dbraw/zinc/77/03/59/368770359.db2.gz KATQEBZTJNQFDX-UHFFFAOYSA-N -1 3 287.315 3.052 20 0 CGADHM O=C(/C=C/c1ccc(F)c(F)c1)Nc1ccccc1[O-] ZINC000492860720 244041000 /nfs/dbraw/zinc/04/10/00/244041000.db2.gz DOSMLXDKUHVVID-SOFGYWHQSA-N -1 3 275.254 3.322 20 0 CGADHM O=C(/C=C/c1ccnc2ccccc12)[N-]OC/C=C/Cl ZINC000493197751 244116607 /nfs/dbraw/zinc/11/66/07/244116607.db2.gz YYNOSCUOFZXGGL-AZILEBSASA-N -1 3 288.734 3.048 20 0 CGADHM CCCc1nc(C)c(C(=O)Nc2ccccc2[O-])s1 ZINC000043007601 369241220 /nfs/dbraw/zinc/24/12/20/369241220.db2.gz YJZRINGULFVAAQ-UHFFFAOYSA-N -1 3 276.361 3.362 20 0 CGADHM Cc1cc(C)cc([C@H](NCc2ccccc2)C(=O)[O-])c1 ZINC000043394838 369251554 /nfs/dbraw/zinc/25/15/54/369251554.db2.gz YWFXWQFJUPHLEL-INIZCTEOSA-N -1 3 269.344 3.219 20 0 CGADHM CC(C)c1ccc(C(=O)N(C)Cc2ccco2)c([O-])c1 ZINC000048370436 369344823 /nfs/dbraw/zinc/34/48/23/369344823.db2.gz JYJLLIUGUZLUAF-UHFFFAOYSA-N -1 3 273.332 3.381 20 0 CGADHM CC[C@H](NCc1nc(=O)c2sccc2[n-]1)c1ccccc1 ZINC000051628080 369450061 /nfs/dbraw/zinc/45/00/61/369450061.db2.gz XEMGATAVFSIEMV-LBPRGKRZSA-N -1 3 299.399 3.226 20 0 CGADHM CCc1ccc([O-])c(C(=O)NCCc2cccc(F)c2)c1 ZINC000500415983 244571333 /nfs/dbraw/zinc/57/13/33/244571333.db2.gz SVIBZWOOWYKNAH-UHFFFAOYSA-N -1 3 287.334 3.066 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])[C@H]1CC1(Cl)Cl ZINC000129437121 370987670 /nfs/dbraw/zinc/98/76/70/370987670.db2.gz SHNOVCLEMHHPGU-ZCFIWIBFSA-N -1 3 280.538 3.178 20 0 CGADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H]3CC[C@H]3C)nc2)n1 ZINC000343807102 216925298 /nfs/dbraw/zinc/92/52/98/216925298.db2.gz KDMCJXSHNQUJNJ-ZWNOBZJWSA-N -1 3 284.363 3.017 20 0 CGADHM Cc1cc([N-]S(=O)(=O)c2ccc(F)cc2)ccc1F ZINC000061118711 369596966 /nfs/dbraw/zinc/59/69/66/369596966.db2.gz NUVKYBNHHGITDI-UHFFFAOYSA-N -1 3 283.299 3.074 20 0 CGADHM CC(C)c1cc(C(=O)[N-]c2ccc(F)c(F)c2F)on1 ZINC000072642650 369831432 /nfs/dbraw/zinc/83/14/32/369831432.db2.gz FYDZVTVGNXDDJW-UHFFFAOYSA-N -1 3 284.237 3.468 20 0 CGADHM [O-]c1ccc(CNCc2ccccc2Cl)cc1F ZINC000083482946 370007091 /nfs/dbraw/zinc/00/70/91/370007091.db2.gz OMRQQBJGFHZDTN-UHFFFAOYSA-N -1 3 265.715 3.475 20 0 CGADHM Cc1cc(NC(=O)c2cc(-c3ccco3)[n-]n2)ccc1F ZINC000103100017 370318097 /nfs/dbraw/zinc/31/80/97/370318097.db2.gz QDCBNAXGSFAYGQ-UHFFFAOYSA-N -1 3 285.278 3.370 20 0 CGADHM Cc1cc(NC(=O)c2cc(-c3ccco3)n[n-]2)ccc1F ZINC000103100017 370318102 /nfs/dbraw/zinc/31/81/02/370318102.db2.gz QDCBNAXGSFAYGQ-UHFFFAOYSA-N -1 3 285.278 3.370 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2nccn2CC(C)C)c1 ZINC000538741093 288586852 /nfs/dbraw/zinc/58/68/52/288586852.db2.gz WVCOSPMBAFRAFF-UHFFFAOYSA-N -1 3 287.363 3.059 20 0 CGADHM CCC(CC)(CNCc1cccc([O-])c1Cl)C(=O)OC ZINC000512298438 245033508 /nfs/dbraw/zinc/03/35/08/245033508.db2.gz GDJGDFGPLPZLGQ-UHFFFAOYSA-N -1 3 299.798 3.115 20 0 CGADHM Cc1cc(C)cc(-c2cc(=NC(=O)c3ccccc3)[nH][n-]2)c1 ZINC000512546091 245041704 /nfs/dbraw/zinc/04/17/04/245041704.db2.gz SNKQMIOUSZVOGC-UHFFFAOYSA-N -1 3 291.354 3.368 20 0 CGADHM [O-]c1cccc(CN(CCO)CC2CCCCC2)c1Cl ZINC000512690983 245044945 /nfs/dbraw/zinc/04/49/45/245044945.db2.gz QFTBENDVKNJEHI-UHFFFAOYSA-N -1 3 297.826 3.420 20 0 CGADHM [O-]c1ccc(F)c(CN2CCc3cc(F)ccc32)c1F ZINC000513554868 245083547 /nfs/dbraw/zinc/08/35/47/245083547.db2.gz UCNVRTHQSWXPLT-UHFFFAOYSA-N -1 3 279.261 3.372 20 0 CGADHM C[C@H](CC1CCCC1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000114315595 370497050 /nfs/dbraw/zinc/49/70/50/370497050.db2.gz ZWUYQEVSCACMHK-LLVKDONJSA-N -1 3 299.378 3.022 20 0 CGADHM C[C@H](CC1CCCC1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000114315595 370497055 /nfs/dbraw/zinc/49/70/55/370497055.db2.gz ZWUYQEVSCACMHK-LLVKDONJSA-N -1 3 299.378 3.022 20 0 CGADHM C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)c1ccc(O)cc1[O-] ZINC000115138353 370523141 /nfs/dbraw/zinc/52/31/41/370523141.db2.gz JXSMOUVENYOTSX-OCCSQVGLSA-N -1 3 297.354 3.116 20 0 CGADHM C[C@H]1C[C@H](c2ccccc2)CN1C(=O)c1ccc(O)cc1[O-] ZINC000115138355 370523499 /nfs/dbraw/zinc/52/34/99/370523499.db2.gz JXSMOUVENYOTSX-JSGCOSHPSA-N -1 3 297.354 3.116 20 0 CGADHM Cc1ccc(CC(=O)Nc2cc(Cl)cc(C)c2[O-])cn1 ZINC000116980265 370576133 /nfs/dbraw/zinc/57/61/33/370576133.db2.gz ZISHNQPZGQYNNS-UHFFFAOYSA-N -1 3 290.750 3.239 20 0 CGADHM CCOCCCC(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000116979436 370576806 /nfs/dbraw/zinc/57/68/06/370576806.db2.gz RWNITYLNXLMHIG-UHFFFAOYSA-N -1 3 271.744 3.109 20 0 CGADHM O=C(Cc1ccccc1OC(F)F)Nc1ccccc1[O-] ZINC000118492941 370617911 /nfs/dbraw/zinc/61/79/11/370617911.db2.gz ILUIACHSQVPIBR-UHFFFAOYSA-N -1 3 293.269 3.175 20 0 CGADHM CCCn1c(=O)[n-]nc1S[C@H]1CCc2ccc(F)cc21 ZINC000331638209 204032537 /nfs/dbraw/zinc/03/25/37/204032537.db2.gz SQLGMDACUFPTQJ-LBPRGKRZSA-N -1 3 293.367 3.312 20 0 CGADHM O=C(CCSc1ccc(F)cc1)Nc1ncccc1[O-] ZINC000135925395 371454416 /nfs/dbraw/zinc/45/44/16/371454416.db2.gz QZIQQXHFPBOPGF-UHFFFAOYSA-N -1 3 292.335 3.047 20 0 CGADHM CC(C)(C)c1ccc(C(=O)Nc2ccccc2[O-])nc1 ZINC000421750967 371622588 /nfs/dbraw/zinc/62/25/88/371622588.db2.gz XCMLDSVTSLWSFG-UHFFFAOYSA-N -1 3 270.332 3.337 20 0 CGADHM CCC1(CC)[C@H](N(C)C(=O)c2ccccc2[O-])C[C@@H]1OC ZINC000151766671 371632120 /nfs/dbraw/zinc/63/21/20/371632120.db2.gz KPXKUSOUCWDOJS-CABCVRRESA-N -1 3 291.391 3.058 20 0 CGADHM CC[C@@H](C)CNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000421909200 371707328 /nfs/dbraw/zinc/70/73/28/371707328.db2.gz GNGKLXPAQXJIBA-LLVKDONJSA-N -1 3 267.344 3.016 20 0 CGADHM Cc1cc2cc(CNC(=O)c3cccc([O-])c3)ccc2[nH]1 ZINC000344055387 217029970 /nfs/dbraw/zinc/02/99/70/217029970.db2.gz LSSKZLNXYLUMHB-UHFFFAOYSA-N -1 3 280.327 3.112 20 0 CGADHM [O-]C(=NOCc1ccccc1)Nc1cc(C2CC2)ccn1 ZINC000290002082 371874196 /nfs/dbraw/zinc/87/41/96/371874196.db2.gz CSIOSJNZUDQBGB-UHFFFAOYSA-N -1 3 283.331 3.212 20 0 CGADHM O=C([N-]OCc1ccccc1)Nc1cc(C2CC2)ccn1 ZINC000290002082 371874204 /nfs/dbraw/zinc/87/42/04/371874204.db2.gz CSIOSJNZUDQBGB-UHFFFAOYSA-N -1 3 283.331 3.212 20 0 CGADHM CC(C)CC1(C(=O)Nc2cccc(-c3nnn[n-]3)c2)CCC1 ZINC000155095709 371905192 /nfs/dbraw/zinc/90/51/92/371905192.db2.gz JHIPTFXGYTUYBY-UHFFFAOYSA-N -1 3 299.378 3.022 20 0 CGADHM CC(C)CC1(C(=O)Nc2cccc(-c3nn[n-]n3)c2)CCC1 ZINC000155095709 371905196 /nfs/dbraw/zinc/90/51/96/371905196.db2.gz JHIPTFXGYTUYBY-UHFFFAOYSA-N -1 3 299.378 3.022 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)SCc2ccccc2)n1 ZINC000155868270 371949640 /nfs/dbraw/zinc/94/96/40/371949640.db2.gz WCQIUYXMDXATBC-NSHDSACASA-N -1 3 260.362 3.485 20 0 CGADHM O=C(c1cc([O-])ccc1Cl)N1CCC[C@@H](C2CC2)C1 ZINC000290731688 372046500 /nfs/dbraw/zinc/04/65/00/372046500.db2.gz WNZHGEGCLZYCBR-LLVKDONJSA-N -1 3 279.767 3.308 20 0 CGADHM CCn1c2ccccc2nc1[C@@H](C)[N-]c1nnc(C2CC2)o1 ZINC000290905247 372073415 /nfs/dbraw/zinc/07/34/15/372073415.db2.gz FVCWCWGFYFINQY-SNVBAGLBSA-N -1 3 297.362 3.490 20 0 CGADHM O=C(Cc1cccc(Cl)c1F)[N-]OCCC(F)(F)F ZINC000291259188 372148748 /nfs/dbraw/zinc/14/87/48/372148748.db2.gz KQKKLOLZQQKTET-UHFFFAOYSA-N -1 3 299.651 3.022 20 0 CGADHM CC(C)SCCNCc1cccc([O-])c1Cl ZINC000292907349 372245503 /nfs/dbraw/zinc/24/55/03/372245503.db2.gz HBSVWJZYABYOPF-UHFFFAOYSA-N -1 3 259.802 3.277 20 0 CGADHM Cc1ncc(CNCc2c(Cl)cccc2Cl)c(=O)[n-]1 ZINC000344306612 217142408 /nfs/dbraw/zinc/14/24/08/217142408.db2.gz PYCXGRDAIIFTKE-UHFFFAOYSA-N -1 3 298.173 3.087 20 0 CGADHM Cc1ccc([O-])c(-c2nc(-c3cn(C)nc3C(C)C)no2)c1 ZINC000293028827 372282453 /nfs/dbraw/zinc/28/24/53/372282453.db2.gz NKWXAHCTQGDPQV-UHFFFAOYSA-N -1 3 298.346 3.275 20 0 CGADHM O=S(=O)([N-][C@@H]1CCCc2sccc21)c1cccs1 ZINC000161919325 372361429 /nfs/dbraw/zinc/36/14/29/372361429.db2.gz HOANASHOHZYOHS-SNVBAGLBSA-N -1 3 299.442 3.166 20 0 CGADHM CO[C@@H]1CCCC[C@@H]1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000293425034 372379551 /nfs/dbraw/zinc/37/95/51/372379551.db2.gz QHUZHTRVWCUJRE-GXFFZTMASA-N -1 3 283.755 3.189 20 0 CGADHM CCc1cc(=O)[n-]c(CN2CC[C@@H](c3ccccc3C)C2)n1 ZINC000344340073 217159223 /nfs/dbraw/zinc/15/92/23/217159223.db2.gz AOODGJRONCSADR-CQSZACIVSA-N -1 3 297.402 3.043 20 0 CGADHM CS[C@H]1CCC[C@@H](NCc2c(F)ccc([O-])c2F)C1 ZINC000293515083 372400397 /nfs/dbraw/zinc/40/03/97/372400397.db2.gz CMNIDPVNTRSSGB-ZJUUUORDSA-N -1 3 287.375 3.434 20 0 CGADHM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)[N-]OCCC(F)(F)F ZINC000162635188 372408076 /nfs/dbraw/zinc/40/80/76/372408076.db2.gz GWXAWYDKTXQHLL-BDAKNGLRSA-N -1 3 293.310 3.160 20 0 CGADHM CCOCCC1(CNCc2c(F)ccc([O-])c2F)CCC1 ZINC000293762226 372473101 /nfs/dbraw/zinc/47/31/01/372473101.db2.gz ZEWWZCPPSBTEKS-UHFFFAOYSA-N -1 3 299.361 3.357 20 0 CGADHM CCc1cc(=O)[n-]c(CN2CCCC[C@H]2[C@@H](C)CC)n1 ZINC000344398172 217180632 /nfs/dbraw/zinc/18/06/32/217180632.db2.gz INNJJUIOSYQQOR-JSGCOSHPSA-N -1 3 277.412 3.145 20 0 CGADHM COC(=O)c1ccc(C(=O)Nc2ccc(C)c(Cl)c2)[n-]1 ZINC000431281492 372452837 /nfs/dbraw/zinc/45/28/37/372452837.db2.gz RQTLGVOHMVDGSB-UHFFFAOYSA-N -1 3 292.722 3.015 20 0 CGADHM O=C([N-]OCC1CC1)[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000293752116 372469987 /nfs/dbraw/zinc/46/99/87/372469987.db2.gz KMPPBSCWJJNJHF-OLZOCXBDSA-N -1 3 299.292 3.267 20 0 CGADHM Cc1ccc(NC(=O)c2cc3ccccc3c(=O)o2)c([O-])c1 ZINC000431615306 372489652 /nfs/dbraw/zinc/48/96/52/372489652.db2.gz VKWKWSYGYFXTHF-UHFFFAOYSA-N -1 3 295.294 3.059 20 0 CGADHM Cc1cc2occ(CC(=O)[N-]OCC3CC3)c2cc1C ZINC000293854264 372502945 /nfs/dbraw/zinc/50/29/45/372502945.db2.gz VIIDNLXPQCUVKI-UHFFFAOYSA-N -1 3 273.332 3.050 20 0 CGADHM CC(C)O[N-]C(=O)CCSc1ccccc1Cl ZINC000294140603 372593331 /nfs/dbraw/zinc/59/33/31/372593331.db2.gz PGMWLGMBMXXWQB-UHFFFAOYSA-N -1 3 273.785 3.278 20 0 CGADHM O=C(c1cccc([O-])c1)N(Cc1ccc(F)cc1)C1CC1 ZINC000170670167 372649080 /nfs/dbraw/zinc/64/90/80/372649080.db2.gz SHFVTIBEZGLCEO-UHFFFAOYSA-N -1 3 285.318 3.336 20 0 CGADHM C[C@@H]1CCN(C(=O)CSC(F)F)c2c([O-])cccc21 ZINC000295456658 372790183 /nfs/dbraw/zinc/79/01/83/372790183.db2.gz WXMURACJLMJTBJ-MRVPVSSYSA-N -1 3 287.331 3.188 20 0 CGADHM CC(C)O[N-]C(=O)CCc1ccc(Cl)c(Cl)c1 ZINC000295494375 372802213 /nfs/dbraw/zinc/80/22/13/372802213.db2.gz FWFXQQWKQJBLDS-UHFFFAOYSA-N -1 3 276.163 3.382 20 0 CGADHM Cc1ccc([O-])c(NC(=O)[C@@H]2[C@H](C)[C@@H]2c2ccccc2)n1 ZINC000435918832 372825999 /nfs/dbraw/zinc/82/59/99/372825999.db2.gz UBZJCCZJCFHELY-KCPJHIHWSA-N -1 3 282.343 3.084 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2C[C@@H](C)CC(C)(C)C2)c1 ZINC000436831522 372840477 /nfs/dbraw/zinc/84/04/77/372840477.db2.gz PUATVQQGJDGSRH-LBPRGKRZSA-N -1 3 261.365 3.209 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2[C@H](C)CC[C@H]2CC)c1 ZINC000436762842 372841067 /nfs/dbraw/zinc/84/10/67/372841067.db2.gz DGFZDSFNZBKCBU-DGCLKSJQSA-N -1 3 261.365 3.358 20 0 CGADHM [O-]c1ccc(F)c(CNCC2(C(F)(F)F)CC2)c1F ZINC000353468407 220100596 /nfs/dbraw/zinc/10/05/96/220100596.db2.gz AOSYMSVGHMNOOA-UHFFFAOYSA-N -1 3 281.224 3.103 20 0 CGADHM CC1CC([N-]S(=O)(=O)c2cccc(Cl)c2Cl)C1 ZINC000353519221 220133027 /nfs/dbraw/zinc/13/30/27/220133027.db2.gz ZFHCICBJWULNOX-UHFFFAOYSA-N -1 3 294.203 3.070 20 0 CGADHM CCC1(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)CC1 ZINC000296003628 372990603 /nfs/dbraw/zinc/99/06/03/372990603.db2.gz VUSBCWMQNSBPGE-UHFFFAOYSA-N -1 3 288.322 3.060 20 0 CGADHM O=C(Nc1ccc(OC(F)(F)F)cc1[O-])C1CCC1 ZINC000442817273 373096639 /nfs/dbraw/zinc/09/66/39/373096639.db2.gz ZEDBKQSNGGFWKS-UHFFFAOYSA-N -1 3 275.226 3.029 20 0 CGADHM CC(C)ON=C([O-])Nc1cccc(COCC2CC2)c1 ZINC000296344271 373097902 /nfs/dbraw/zinc/09/79/02/373097902.db2.gz FTXVJETYDVJBIZ-UHFFFAOYSA-N -1 3 278.352 3.075 20 0 CGADHM CC(C)O[N-]C(=O)Nc1cccc(COCC2CC2)c1 ZINC000296344271 373097906 /nfs/dbraw/zinc/09/79/06/373097906.db2.gz FTXVJETYDVJBIZ-UHFFFAOYSA-N -1 3 278.352 3.075 20 0 CGADHM CC[C@H](NC(=O)c1ccc([O-])c(OC)c1)c1ccccc1 ZINC000442866707 373110157 /nfs/dbraw/zinc/11/01/57/373110157.db2.gz MERXEEHFXXVHEX-AWEZNQCLSA-N -1 3 285.343 3.282 20 0 CGADHM CCc1cc(C(=O)NCC(C)(C)c2ccccn2)ccc1[O-] ZINC000296384022 373113553 /nfs/dbraw/zinc/11/35/53/373113553.db2.gz ICZMLRDRTNCLGK-UHFFFAOYSA-N -1 3 298.386 3.057 20 0 CGADHM C[C@@H]1CC[C@H](N(CCO)Cc2cccc([O-])c2Cl)C1 ZINC000353558107 220156747 /nfs/dbraw/zinc/15/67/47/220156747.db2.gz WHHXTNLFDAUHJQ-YPMHNXCESA-N -1 3 283.799 3.029 20 0 CGADHM Cc1cc(C(=O)N(CC2CCC2)C(C)C)ccc1[O-] ZINC000444525517 373198636 /nfs/dbraw/zinc/19/86/36/373198636.db2.gz MCZJUTBUYMPXOS-UHFFFAOYSA-N -1 3 261.365 3.351 20 0 CGADHM C[C@@H]1CCCC[C@H]1NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000299449647 373546530 /nfs/dbraw/zinc/54/65/30/373546530.db2.gz OUBBFPZMNKKBKB-DGCLKSJQSA-N -1 3 284.359 3.249 20 0 CGADHM O=C(CCCc1ccccc1)Nc1cc(F)ccc1[O-] ZINC000178328038 373766404 /nfs/dbraw/zinc/76/64/04/373766404.db2.gz ANDBKVSUEUBIHB-UHFFFAOYSA-N -1 3 273.307 3.493 20 0 CGADHM [O-]c1ccc(F)c(CNC[C@H]2CCCC2(F)F)c1F ZINC000449490847 373781230 /nfs/dbraw/zinc/78/12/30/373781230.db2.gz DFCQADOZAZIRQP-MRVPVSSYSA-N -1 3 277.261 3.195 20 0 CGADHM CCSc1ccc(C(=O)Nc2c(C)cccc2[O-])cn1 ZINC000179546718 373886402 /nfs/dbraw/zinc/88/64/02/373886402.db2.gz JTFDNNJGPNYKPS-UHFFFAOYSA-N -1 3 288.372 3.460 20 0 CGADHM Cc1cccc(C(=O)N[C@@H]2CCCc3occc32)c1[O-] ZINC000302931391 374005948 /nfs/dbraw/zinc/00/59/48/374005948.db2.gz FOSRLPGRUPFYHQ-CYBMUJFWSA-N -1 3 271.316 3.101 20 0 CGADHM CC[C@H](C)Oc1cc(C(=O)Nc2ccccc2[O-])ccn1 ZINC000180147011 373969699 /nfs/dbraw/zinc/96/96/99/373969699.db2.gz SIRDDEKMJXNGHN-NSHDSACASA-N -1 3 286.331 3.217 20 0 CGADHM CC[C@H](O)CC(=O)Nc1cc(Cc2ccccc2)ccc1[O-] ZINC000450415107 374112706 /nfs/dbraw/zinc/11/27/06/374112706.db2.gz AVCDKAKRYVEIJN-HNNXBMFYSA-N -1 3 299.370 3.083 20 0 CGADHM CO[C@@H](C)c1nsc(Sc2ccc([O-])cc2)n1 ZINC000305951082 374124630 /nfs/dbraw/zinc/12/46/30/374124630.db2.gz AEBXJIHRTRHEBA-ZETCQYMHSA-N -1 3 268.363 3.102 20 0 CGADHM Cc1ccc(NC(=O)[C@@H]2CCC(F)(F)C2)c([O-])c1 ZINC000310415379 374216337 /nfs/dbraw/zinc/21/63/37/374216337.db2.gz XYVXZHKHWSUTCE-SECBINFHSA-N -1 3 255.264 3.075 20 0 CGADHM Cc1ccc(CN(C)C(=O)c2cccc([O-])c2)s1 ZINC000182323050 374258624 /nfs/dbraw/zinc/25/86/24/374258624.db2.gz UDWFGOPFQYZIJF-UHFFFAOYSA-N -1 3 261.346 3.034 20 0 CGADHM O=C(Nc1ccc(OCC2CC2)cc1)c1cccc([O-])c1 ZINC000182439885 374274634 /nfs/dbraw/zinc/27/46/34/374274634.db2.gz UFGSGMHOTHAZSY-UHFFFAOYSA-N -1 3 283.327 3.433 20 0 CGADHM CC(C)(NC(=O)c1cccc([O-])c1)c1ccc(F)c(F)c1 ZINC000182572334 374291967 /nfs/dbraw/zinc/29/19/67/374291967.db2.gz TYWFQMLNPCNICA-UHFFFAOYSA-N -1 3 291.297 3.336 20 0 CGADHM COc1cccc(C(=O)N(C)[C@H]2CCc3ccccc32)c1[O-] ZINC000078685012 541916998 /nfs/dbraw/zinc/91/69/98/541916998.db2.gz REYJOWMESDJBLZ-HNNXBMFYSA-N -1 3 297.354 3.160 20 0 CGADHM CC(=O)c1ccc(C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)cc1[O-] ZINC000334105128 206012507 /nfs/dbraw/zinc/01/25/07/206012507.db2.gz BNINSPNZXFEFMO-UEKVPHQBSA-N -1 3 289.375 3.149 20 0 CGADHM CC(F)(F)CCNC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000452214450 374282191 /nfs/dbraw/zinc/28/21/91/374282191.db2.gz BWZAVWUARINGKU-UHFFFAOYSA-N -1 3 283.318 3.046 20 0 CGADHM COc1cccc(F)c1[C@H](C)NC(=O)c1cccc([O-])c1 ZINC000182512818 374284061 /nfs/dbraw/zinc/28/40/61/374284061.db2.gz LFMJIQBHCAAQLJ-JTQLQIEISA-N -1 3 289.306 3.031 20 0 CGADHM COc1ccc(C)cc1CNCCc1ccccc1C(=O)[O-] ZINC000317710276 374340177 /nfs/dbraw/zinc/34/01/77/374340177.db2.gz FHCKFUDTIXSVSC-UHFFFAOYSA-N -1 3 299.370 3.034 20 0 CGADHM CCc1ncsc1C(=O)N1CCCc2cccc([O-])c21 ZINC000182902476 374340737 /nfs/dbraw/zinc/34/07/37/374340737.db2.gz XMZFTRQUTMDQQI-UHFFFAOYSA-N -1 3 288.372 3.004 20 0 CGADHM CCO[N-]C(=O)Nc1ccc(OC2CCCC2)cc1 ZINC000182921459 374343481 /nfs/dbraw/zinc/34/34/81/374343481.db2.gz VKULDJCSVSFPEB-UHFFFAOYSA-N -1 3 264.325 3.081 20 0 CGADHM Cc1c(C(=O)Nc2c(C)cccc2[O-])cnn1C(C)C ZINC000183061262 374366166 /nfs/dbraw/zinc/36/61/66/374366166.db2.gz KUIHGSRVOJRNGY-UHFFFAOYSA-N -1 3 273.336 3.039 20 0 CGADHM CC[C@@H]1CCN(C(=O)c2ccc3c(c2[O-])CCCC3)C1 ZINC000183106074 374373475 /nfs/dbraw/zinc/37/34/75/374373475.db2.gz MIRSMSXEIFOKTP-GFCCVEGCSA-N -1 3 273.376 3.143 20 0 CGADHM C[C@@H](Cc1ccccc1F)C(=O)Nc1ccc([O-])cc1F ZINC000183239887 374391643 /nfs/dbraw/zinc/39/16/43/374391643.db2.gz DWJONPILMSACQE-JTQLQIEISA-N -1 3 291.297 3.488 20 0 CGADHM C[C@@H](c1ccccc1)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000087612790 541944397 /nfs/dbraw/zinc/94/43/97/541944397.db2.gz HADJTKXVSQUFHS-SUMWQHHRSA-N -1 3 281.355 3.432 20 0 CGADHM CC(C)(C)c1ccc(NC(=O)[C@]2(C)CCCOC2)c([O-])c1 ZINC000330387262 374457311 /nfs/dbraw/zinc/45/73/11/374457311.db2.gz BRPSPABFMYGBDR-QGZVFWFLSA-N -1 3 291.391 3.445 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CCCc3ccccc3CC2)c1 ZINC000456318157 374511675 /nfs/dbraw/zinc/51/16/75/374511675.db2.gz VOXAXLPMUZKABJ-UHFFFAOYSA-N -1 3 295.382 3.332 20 0 CGADHM O=C1CCc2cc(NCc3cc([O-])cc(F)c3)ccc2N1 ZINC000184138761 374496626 /nfs/dbraw/zinc/49/66/26/374496626.db2.gz GITDHADKVYKPFT-UHFFFAOYSA-N -1 3 286.306 3.028 20 0 CGADHM COc1cc(C)ccc1NCc1cc([O-])cc(F)c1 ZINC000184140318 374497471 /nfs/dbraw/zinc/49/74/71/374497471.db2.gz HFSVOGBKOFPHSK-UHFFFAOYSA-N -1 3 261.296 3.460 20 0 CGADHM CCc1ccc([O-])c(-c2nc(-c3ccccn3)no2)c1 ZINC000184838579 374564335 /nfs/dbraw/zinc/56/43/35/374564335.db2.gz HRWLIWZLVVNQMS-UHFFFAOYSA-N -1 3 267.288 3.067 20 0 CGADHM Cc1ccncc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000334200265 206181320 /nfs/dbraw/zinc/18/13/20/206181320.db2.gz QHMWWDCMRHVJQS-UHFFFAOYSA-N -1 3 262.696 3.001 20 0 CGADHM COc1c(Cl)cccc1NC(=O)c1cccc([O-])c1 ZINC000334344085 374671413 /nfs/dbraw/zinc/67/14/13/374671413.db2.gz RZTHZCOEWPOWMY-UHFFFAOYSA-N -1 3 277.707 3.307 20 0 CGADHM C[C@H]1CCN(C(=O)c2cccc(CO)c2)c2c([O-])cccc21 ZINC000334372245 374693098 /nfs/dbraw/zinc/69/30/98/374693098.db2.gz RDCXIIMRAFHBLJ-LBPRGKRZSA-N -1 3 297.354 3.039 20 0 CGADHM Cc1cccc(Cl)c1[N-]S(=O)(=O)c1ccoc1 ZINC000334453039 374763809 /nfs/dbraw/zinc/76/38/09/374763809.db2.gz ZWBXRIWHRBCLDI-UHFFFAOYSA-N -1 3 271.725 3.042 20 0 CGADHM CN(CCOCc1ccccc1)Cc1cc([O-])cc(F)c1 ZINC000186267205 374822527 /nfs/dbraw/zinc/82/25/27/374822527.db2.gz OIVLNTHHFDGYGV-UHFFFAOYSA-N -1 3 289.350 3.180 20 0 CGADHM CC[C@H](C)NC(=O)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000187236934 374990400 /nfs/dbraw/zinc/99/04/00/374990400.db2.gz CFPYDBCHBFFIMB-ZETCQYMHSA-N -1 3 283.784 3.320 20 0 CGADHM COc1cc(C)cnc1C(=O)[N-]c1c(F)cc(F)cc1F ZINC000334707623 374992831 /nfs/dbraw/zinc/99/28/31/374992831.db2.gz GUWZKYYYCWFJMZ-UHFFFAOYSA-N -1 3 296.248 3.068 20 0 CGADHM Cc1cccc(C(=O)N2Cc3ccccc3C3(CC3)C2)c1[O-] ZINC000187294289 374999752 /nfs/dbraw/zinc/99/97/52/374999752.db2.gz YZXGGBXYXUWHFC-UHFFFAOYSA-N -1 3 293.366 3.388 20 0 CGADHM Cc1cc(S(=O)(=O)[N-]CCC(C)C)sc1Cl ZINC000473912604 375066946 /nfs/dbraw/zinc/06/69/46/375066946.db2.gz LJESWLZOBLGGKK-UHFFFAOYSA-N -1 3 281.830 3.034 20 0 CGADHM CCc1cc(C(=O)Nc2cnc(CC(C)C)nc2)ccc1[O-] ZINC000487554636 375252953 /nfs/dbraw/zinc/25/29/53/375252953.db2.gz DWXIQKABRJXXEK-UHFFFAOYSA-N -1 3 299.374 3.195 20 0 CGADHM CCc1cc(C(=O)N[C@H]2CCC23CCCC3)ccc1[O-] ZINC000487617360 375262126 /nfs/dbraw/zinc/26/21/26/375262126.db2.gz JNBLSCBDVSJJSE-HNNXBMFYSA-N -1 3 273.376 3.407 20 0 CGADHM CC(C)(C)c1ccc(NC(=O)[N-]OC[C@@H]2CCOC2)cc1 ZINC000189438355 375388626 /nfs/dbraw/zinc/38/86/26/375388626.db2.gz HHAHOPXRLIFUHD-GFCCVEGCSA-N -1 3 292.379 3.074 20 0 CGADHM COc1cc(C)c(NC(=O)c2cccc([O-])c2)cc1C ZINC000335732361 375384971 /nfs/dbraw/zinc/38/49/71/375384971.db2.gz UMLXZARCICBUDR-UHFFFAOYSA-N -1 3 271.316 3.270 20 0 CGADHM CCCCOc1ccc(C(=O)N2CCC(C)CC2)c([O-])c1 ZINC000190001367 375466498 /nfs/dbraw/zinc/46/64/98/375466498.db2.gz SIYCQWSPRFXJOZ-UHFFFAOYSA-N -1 3 291.391 3.443 20 0 CGADHM CC1(C)CC[C@H](C(=O)Nc2cccc([O-])c2F)C1 ZINC000335906112 375530738 /nfs/dbraw/zinc/53/07/38/375530738.db2.gz UCFDLXDEYSAAEP-VIFPVBQESA-N -1 3 251.301 3.296 20 0 CGADHM O=C(Nc1ccc([O-])cc1F)c1ccnn1C1CCCC1 ZINC000335865615 375495802 /nfs/dbraw/zinc/49/58/02/375495802.db2.gz UCXMPJKSBNOYHF-UHFFFAOYSA-N -1 3 289.310 3.095 20 0 CGADHM Cc1ccc(C[S@](=O)c2cccc([O-])c2)cc1C ZINC000190550026 375520695 /nfs/dbraw/zinc/52/06/95/375520695.db2.gz QQFYNMPVRUWAHE-SFHVURJKSA-N -1 3 260.358 3.317 20 0 CGADHM Cc1oc(C(C)C)nc1C(=O)Nc1ccc(C)cc1[O-] ZINC000335938730 375552884 /nfs/dbraw/zinc/55/28/84/375552884.db2.gz PWNYPMLVDULLPY-UHFFFAOYSA-N -1 3 274.320 3.373 20 0 CGADHM c1ccc(-c2nc(SC3Cc4ccccc4C3)n[n-]2)nc1 ZINC000119036050 542004957 /nfs/dbraw/zinc/00/49/57/542004957.db2.gz HBDPKDAWCSZORI-UHFFFAOYSA-N -1 3 294.383 3.126 20 0 CGADHM CCc1[n-][nH]c(=NC(=O)c2coc3ccc(CC)cc23)c1C ZINC000497549628 375602485 /nfs/dbraw/zinc/60/24/85/375602485.db2.gz BVSZKQWXPSSIPB-UHFFFAOYSA-N -1 3 297.358 3.263 20 0 CGADHM CC(C)[C@@]1(C)C[C@@H]1C(=O)Nc1ccc([O-])cc1F ZINC000336078317 375667801 /nfs/dbraw/zinc/66/78/01/375667801.db2.gz ZELJNORDWZUOSI-QMTHXVAHSA-N -1 3 251.301 3.152 20 0 CGADHM Cc1cccc([O-])c1NC(=O)[C@@H]1Cc2ccccc2S1 ZINC000336148556 375726553 /nfs/dbraw/zinc/72/65/53/375726553.db2.gz FUVMHPYGXPYWIS-AWEZNQCLSA-N -1 3 285.368 3.356 20 0 CGADHM CC(=O)c1cccc(NC(=O)c2oc(C)cc2C)c1[O-] ZINC000336143819 375721688 /nfs/dbraw/zinc/72/16/88/375721688.db2.gz YWYUDOQCASZMKC-UHFFFAOYSA-N -1 3 273.288 3.057 20 0 CGADHM Cc1ncc([N-]C(=O)c2ncsc2C(F)(F)F)s1 ZINC000336126737 375706748 /nfs/dbraw/zinc/70/67/48/375706748.db2.gz WRLALJDALQTUAX-UHFFFAOYSA-N -1 3 293.295 3.179 20 0 CGADHM CC(=O)Nc1cccc(NC(=O)c2ccc([O-])c(C)c2)c1C ZINC000336157923 375735582 /nfs/dbraw/zinc/73/55/82/375735582.db2.gz LRCQOVCVMNCLAW-UHFFFAOYSA-N -1 3 298.342 3.220 20 0 CGADHM CCN(CCCNC(=O)c1cccc([O-])c1)c1ccccc1 ZINC000192952368 375807919 /nfs/dbraw/zinc/80/79/19/375807919.db2.gz IHOHJBBPOBJDHX-UHFFFAOYSA-N -1 3 298.386 3.039 20 0 CGADHM CC(C)(NC(=O)c1csc(=O)[n-]1)c1ccc(Cl)cc1 ZINC000336621727 375883082 /nfs/dbraw/zinc/88/30/82/375883082.db2.gz JOMURBLAMDKTEZ-UHFFFAOYSA-N -1 3 296.779 3.167 20 0 CGADHM COc1ccc(F)cc1[C@H](C)NC(=O)c1ccccc1[O-] ZINC000193508260 375888891 /nfs/dbraw/zinc/88/88/91/375888891.db2.gz RLAZDDWHDSUOCJ-JTQLQIEISA-N -1 3 289.306 3.031 20 0 CGADHM Cc1ccc([O-])c(NC(=O)C/C=C/c2ccccc2F)n1 ZINC000346001511 217777165 /nfs/dbraw/zinc/77/71/65/217777165.db2.gz WIPDWNLEOZKRTP-GQCTYLIASA-N -1 3 286.306 3.277 20 0 CGADHM O=C([O-])c1ccc2c(c1)CN(CC1CCCCC1)C2 ZINC000131279475 542068088 /nfs/dbraw/zinc/06/80/88/542068088.db2.gz PIEZERVSCXGNSX-UHFFFAOYSA-N -1 3 259.349 3.281 20 0 CGADHM [O-]c1cccc(CNCc2cccc(F)c2)c1Cl ZINC000336893673 376022428 /nfs/dbraw/zinc/02/24/28/376022428.db2.gz LALJMCXTKHCDCE-UHFFFAOYSA-N -1 3 265.715 3.475 20 0 CGADHM CCC[C@@H]1CCCCN1Cc1cc(C(=O)[O-])co1 ZINC000213455339 376140836 /nfs/dbraw/zinc/14/08/36/376140836.db2.gz UCWUFJSLGFLMGH-GFCCVEGCSA-N -1 3 251.326 3.132 20 0 CGADHM CCC[C@@H]1CCCCN1Cc1cc(C(=O)[O-])c(C)o1 ZINC000213500198 376141665 /nfs/dbraw/zinc/14/16/65/376141665.db2.gz MLUWNGCWLPCKJI-GFCCVEGCSA-N -1 3 265.353 3.441 20 0 CGADHM CC[C@H](C)c1cc(C(=O)[N-]c2csc(C)n2)on1 ZINC000338134693 376265652 /nfs/dbraw/zinc/26/56/52/376265652.db2.gz PHRIOADHPGFAPK-ZETCQYMHSA-N -1 3 265.338 3.205 20 0 CGADHM O=C(c1cc(-c2ccco2)[n-]n1)N1CCc2cc(F)ccc21 ZINC000338177924 376273919 /nfs/dbraw/zinc/27/39/19/376273919.db2.gz DEUCFLRRKRMFEM-UHFFFAOYSA-N -1 3 297.289 3.012 20 0 CGADHM O=C(c1cc(-c2ccco2)n[n-]1)N1CCc2cc(F)ccc21 ZINC000338177924 376273925 /nfs/dbraw/zinc/27/39/25/376273925.db2.gz DEUCFLRRKRMFEM-UHFFFAOYSA-N -1 3 297.289 3.012 20 0 CGADHM CCc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1ncccc1[O-] ZINC000338543099 376417056 /nfs/dbraw/zinc/41/70/56/376417056.db2.gz WOYJXONLLIYOIO-UONOGXRCSA-N -1 3 282.343 3.092 20 0 CGADHM Cc1cc(C(=O)N2CC[C@@H]3CCCC[C@@H]32)ccc1[O-] ZINC000226717469 376369297 /nfs/dbraw/zinc/36/92/97/376369297.db2.gz YQEQENNPOHFGNL-JSGCOSHPSA-N -1 3 259.349 3.105 20 0 CGADHM CCOc1ccc(NC(=O)c2ccc([O-])c(C)c2)cc1F ZINC000226716992 376370284 /nfs/dbraw/zinc/37/02/84/376370284.db2.gz MWJSOAVNYZTDBK-UHFFFAOYSA-N -1 3 289.306 3.491 20 0 CGADHM C[C@H]1CCN(Cc2cccc(Cl)c2F)[C@@H](C(=O)[O-])C1 ZINC000228247251 376433259 /nfs/dbraw/zinc/43/32/59/376433259.db2.gz QLIMHXCNDPPOLQ-JOYOIKCWSA-N -1 3 285.746 3.164 20 0 CGADHM CC(C)Oc1ccc(CN2CC[C@@H](C(=O)[O-])C2)cc1Cl ZINC000263564064 190069743 /nfs/dbraw/zinc/06/97/43/190069743.db2.gz DTZXVFABHROLGG-GFCCVEGCSA-N -1 3 297.782 3.034 20 0 CGADHM COc1cccc(Cl)c1CN[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000228805410 376448916 /nfs/dbraw/zinc/44/89/16/376448916.db2.gz FIJLRRYZLQBICE-GHMZBOCLSA-N -1 3 297.782 3.082 20 0 CGADHM Cc1cccc([O-])c1NC(=O)c1ccc(C(F)(F)F)cn1 ZINC000334283086 206306443 /nfs/dbraw/zinc/30/64/43/206306443.db2.gz IRTJBCQDBNYUDB-UHFFFAOYSA-N -1 3 296.248 3.367 20 0 CGADHM CC(C)c1cccc(C(=O)Nc2cccc([O-])c2F)n1 ZINC000334326231 206373660 /nfs/dbraw/zinc/37/36/60/206373660.db2.gz GOWLYDAWDKPQRI-UHFFFAOYSA-N -1 3 274.295 3.302 20 0 CGADHM Cc1cc(C(=O)N2CCC[C@@H]2c2ccccn2)ccc1[O-] ZINC000542785273 376577620 /nfs/dbraw/zinc/57/76/20/376577620.db2.gz HSBKQENIUSDQHU-OAHLLOKOSA-N -1 3 282.343 3.073 20 0 CGADHM CC[C@H]1CN(C(=O)c2cc([O-])ccc2Cl)CCS1 ZINC000234090275 376610767 /nfs/dbraw/zinc/61/07/67/376610767.db2.gz FJPQXNUDZBCGQT-JTQLQIEISA-N -1 3 285.796 3.013 20 0 CGADHM CN(C(=O)c1cc([O-])ccc1Cl)c1ccccc1 ZINC000234267495 376612447 /nfs/dbraw/zinc/61/24/47/376612447.db2.gz NOOLCTKXDGPLJS-UHFFFAOYSA-N -1 3 261.708 3.322 20 0 CGADHM CCc1ncsc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000339007738 376625891 /nfs/dbraw/zinc/62/58/91/376625891.db2.gz VILVZRWFCPKLOC-UHFFFAOYSA-N -1 3 282.752 3.317 20 0 CGADHM C[C@H]1CCCN(Cc2c(F)cccc2Cl)[C@@H]1C(=O)[O-] ZINC000235660622 376647099 /nfs/dbraw/zinc/64/70/99/376647099.db2.gz ADPYREDBZYSXQF-ZANVPECISA-N -1 3 285.746 3.164 20 0 CGADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C1(C)CCC1 ZINC000339050639 376647867 /nfs/dbraw/zinc/64/78/67/376647867.db2.gz SPDZGKAMYVULGG-UHFFFAOYSA-N -1 3 297.351 3.101 20 0 CGADHM O=C(COc1ccc(Cl)c(F)c1)Nc1ccccc1[O-] ZINC000339061399 376653144 /nfs/dbraw/zinc/65/31/44/376653144.db2.gz DDKHMWDILXJYMF-UHFFFAOYSA-N -1 3 295.697 3.202 20 0 CGADHM O=C(Nc1ccc2c(c1)OCO2)c1cc([O-])ccc1Cl ZINC000236609795 376671192 /nfs/dbraw/zinc/67/11/92/376671192.db2.gz RWEWJYXRMWAHHD-UHFFFAOYSA-N -1 3 291.690 3.027 20 0 CGADHM O=C(NCc1ccc(F)cc1)c1cc([O-])ccc1Cl ZINC000236617274 376673058 /nfs/dbraw/zinc/67/30/58/376673058.db2.gz CBWFWHSXPRVHBU-UHFFFAOYSA-N -1 3 279.698 3.115 20 0 CGADHM O=C(Nc1cccc2c1CCCC2)c1cccc2nn[n-]c21 ZINC000543749821 376675411 /nfs/dbraw/zinc/67/54/11/376675411.db2.gz HCCMKCBIMNAVCZ-UHFFFAOYSA-N -1 3 292.342 3.089 20 0 CGADHM O=C(Nc1cccc2c1CCCC2)c1cccc2[n-]nnc21 ZINC000543749821 376675422 /nfs/dbraw/zinc/67/54/22/376675422.db2.gz HCCMKCBIMNAVCZ-UHFFFAOYSA-N -1 3 292.342 3.089 20 0 CGADHM O=C(Nc1cccc2c1CCCC2)c1cccc2n[n-]nc21 ZINC000543749821 376675430 /nfs/dbraw/zinc/67/54/30/376675430.db2.gz HCCMKCBIMNAVCZ-UHFFFAOYSA-N -1 3 292.342 3.089 20 0 CGADHM COc1ccc(NC(=O)c2sccc2SC)c([O-])c1 ZINC000135428027 542087405 /nfs/dbraw/zinc/08/74/05/542087405.db2.gz JCPKRXKHZBXRLQ-UHFFFAOYSA-N -1 3 295.385 3.437 20 0 CGADHM COc1ccc([C@H](CC(=O)[O-])NCc2ccccc2)cc1 ZINC000142679347 542095637 /nfs/dbraw/zinc/09/56/37/542095637.db2.gz UTFVHXFLKQUXDH-INIZCTEOSA-N -1 3 285.343 3.001 20 0 CGADHM O=C(Nc1ccc(Cl)cc1[O-])c1ccccc1F ZINC000153426670 542112119 /nfs/dbraw/zinc/11/21/19/542112119.db2.gz BCEWFANVJQLAJZ-UHFFFAOYSA-N -1 3 265.671 3.437 20 0 CGADHM C[C@H](CO)CSc1nnc([N-]c2ccccc2F)s1 ZINC000154621926 542118296 /nfs/dbraw/zinc/11/82/96/542118296.db2.gz MOGLUUOWKJQBJS-MRVPVSSYSA-N -1 3 299.396 3.141 20 0 CGADHM Cc1cc(F)c(C(=O)[N-]c2nnc(C3CC3)s2)cc1F ZINC000159004363 542145749 /nfs/dbraw/zinc/14/57/49/542145749.db2.gz JCFVYIQIVOZWKU-UHFFFAOYSA-N -1 3 295.314 3.254 20 0 CGADHM Cc1ccc([O-])c(C(=O)N[C@H]2CCCc3occc32)c1 ZINC000339973420 376885846 /nfs/dbraw/zinc/88/58/46/376885846.db2.gz BYJKOVMAWPDJAE-ZDUSSCGKSA-N -1 3 271.316 3.101 20 0 CGADHM Cc1noc(C)c1CCC(=O)Nc1c([O-])cccc1Cl ZINC000557181749 376924551 /nfs/dbraw/zinc/92/45/51/376924551.db2.gz WTELYXLFFQINFK-UHFFFAOYSA-N -1 3 294.738 3.222 20 0 CGADHM COc1cc(CC(=O)Nc2cc(F)ccc2[O-])ccc1C ZINC000340313580 376996571 /nfs/dbraw/zinc/99/65/71/376996571.db2.gz GVFDAQOUEWPCJE-UHFFFAOYSA-N -1 3 289.306 3.030 20 0 CGADHM CCN1CCCC[C@H]1C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000340330666 377008130 /nfs/dbraw/zinc/00/81/30/377008130.db2.gz ZWFPWZVFFAPDFZ-ZDUSSCGKSA-N -1 3 296.798 3.167 20 0 CGADHM CCc1cccc(C(=O)N(CC)C2CCCC2)c1[O-] ZINC000560614293 377181563 /nfs/dbraw/zinc/18/15/63/377181563.db2.gz AWWVTSHDXWKFBY-UHFFFAOYSA-N -1 3 261.365 3.359 20 0 CGADHM CC(C)(C)c1ccc(CN[C@@]2(C(=O)[O-])CCSC2)s1 ZINC000340677581 377208320 /nfs/dbraw/zinc/20/83/20/377208320.db2.gz LFMVFXSAWZFNHX-AWEZNQCLSA-N -1 3 299.461 3.096 20 0 CGADHM O=C([O-])C1(NCc2ccsc2Cl)CCCCC1 ZINC000340680250 377211015 /nfs/dbraw/zinc/21/10/15/377211015.db2.gz ONPINMCGDDGXIQ-UHFFFAOYSA-N -1 3 273.785 3.279 20 0 CGADHM Cc1ccc([O-])c(-c2nc([C@@H]3CCCS3)no2)c1 ZINC000161650899 542159698 /nfs/dbraw/zinc/15/96/98/542159698.db2.gz KIAWQGXRTHLOMI-NSHDSACASA-N -1 3 262.334 3.319 20 0 CGADHM CCCC[C@H](CCC)NC(=O)N=c1cc2ccccn2[n-]1 ZINC000562295051 377292975 /nfs/dbraw/zinc/29/29/75/377292975.db2.gz BAXWSPAEXIXHIM-ZDUSSCGKSA-N -1 3 288.395 3.237 20 0 CGADHM C[C@H](SCc1cc(=O)[n-]c(C2CC2)n1)c1cccnc1 ZINC000562824228 377365083 /nfs/dbraw/zinc/36/50/83/377365083.db2.gz RDZSJISNEMSYLR-JTQLQIEISA-N -1 3 287.388 3.449 20 0 CGADHM Clc1cc(-c2nc(C[C@@H]3CCCO3)no2)[n-]c1Cl ZINC000264999838 190151301 /nfs/dbraw/zinc/15/13/01/190151301.db2.gz KKSSHEASVZFFMQ-LURJTMIESA-N -1 3 288.134 3.093 20 0 CGADHM Cc1cc([C@@H](C)N(C)CCCOC(C)C)oc1C(=O)[O-] ZINC000563454895 377470120 /nfs/dbraw/zinc/47/01/20/377470120.db2.gz QIARTTNCOTXFMQ-GFCCVEGCSA-N -1 3 283.368 3.094 20 0 CGADHM O=C(Nc1ccc([O-])cc1F)C1CCCCCC1 ZINC000085203699 249013201 /nfs/dbraw/zinc/01/32/01/249013201.db2.gz JQMLOAQZRDRUMC-UHFFFAOYSA-N -1 3 251.301 3.440 20 0 CGADHM C[C@@H]1CC(NC(=O)c2c[n-]c3ccccc3c2=O)C[C@@H](C)C1 ZINC000172595074 249048161 /nfs/dbraw/zinc/04/81/61/249048161.db2.gz NVGNBNVCZOPAAR-RYUDHWBXSA-N -1 3 298.386 3.083 20 0 CGADHM Cc1cccc(F)c1NCc1cc(=O)[n-]c(C2CC2)n1 ZINC000417041355 249124791 /nfs/dbraw/zinc/12/47/91/249124791.db2.gz XEEKAYLVMSCUQR-UHFFFAOYSA-N -1 3 273.311 3.119 20 0 CGADHM CCC[C@H](CC)S(=O)(=O)[N-]c1c(C)cccc1OC ZINC000515303747 249207546 /nfs/dbraw/zinc/20/75/46/249207546.db2.gz KEMIENNHQIOAOH-LBPRGKRZSA-N -1 3 285.409 3.324 20 0 CGADHM C[C@H]1CCCN1Cc1ccc(C(=O)[O-])c(Cl)c1 ZINC000514608551 249181822 /nfs/dbraw/zinc/18/18/22/249181822.db2.gz VWVAJHJCFXBGFP-VIFPVBQESA-N -1 3 253.729 3.023 20 0 CGADHM O=C([O-])c1cc(CN2CCS[C@H]3CCCC[C@H]32)cs1 ZINC000514943309 249195438 /nfs/dbraw/zinc/19/54/38/249195438.db2.gz ARYNZUDUUOFUMP-NEPJUHHUSA-N -1 3 297.445 3.306 20 0 CGADHM CCN(CCc1ccccc1)Cc1occc1C(=O)[O-] ZINC000516575788 249237886 /nfs/dbraw/zinc/23/78/86/249237886.db2.gz ANABABOHHGWEGJ-UHFFFAOYSA-N -1 3 273.332 3.042 20 0 CGADHM CC1=CCC[C@H](C)[C@@H]1CN[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC000573802170 377578050 /nfs/dbraw/zinc/57/80/50/377578050.db2.gz FUSADOLHOIDIND-SDDRHHMPSA-N -1 3 294.420 3.484 20 0 CGADHM CCc1oc(C(=O)[O-])cc1CN(C)[C@H](C)C1(C)CC1 ZINC000517036030 249254448 /nfs/dbraw/zinc/25/44/48/249254448.db2.gz XWKYPHGKDSHBSW-SNVBAGLBSA-N -1 3 265.353 3.161 20 0 CGADHM O=C([O-])[C@H]1C[C@H](NCc2c(Cl)oc3ccccc32)C1 ZINC000517759328 249271125 /nfs/dbraw/zinc/27/11/25/249271125.db2.gz MEWKQIPVAPEHKR-KYZUINATSA-N -1 3 279.723 3.039 20 0 CGADHM CC(C)(C)c1nc(C=Cc2cnc(C3CC3)nc2)cc(=O)[n-]1 ZINC000574500848 377671221 /nfs/dbraw/zinc/67/12/21/377671221.db2.gz OCWQSDGHIBYIBZ-QPJJXVBHSA-N -1 3 296.374 3.318 20 0 CGADHM C[C@@H]1C[C@@H]1CC(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000564501737 322032812 /nfs/dbraw/zinc/03/28/12/322032812.db2.gz AZORVAJGFADGQS-HTQZYQBOSA-N -1 3 273.254 3.396 20 0 CGADHM CCc1cc(C(=O)Nc2ccccc2N(C)C)ccc1[O-] ZINC000574933871 377727890 /nfs/dbraw/zinc/72/78/90/377727890.db2.gz MXONMXABRFILLC-UHFFFAOYSA-N -1 3 284.359 3.273 20 0 CGADHM COc1cccc(C(=O)NCC[C@@H](C)c2ccccc2)c1[O-] ZINC000261381396 377812653 /nfs/dbraw/zinc/81/26/53/377812653.db2.gz GDNCYGXUAPXXPE-CYBMUJFWSA-N -1 3 299.370 3.324 20 0 CGADHM CCc1cc(=O)[n-]c(CN[C@H](C)c2ccc(Cl)s2)n1 ZINC000182979360 542227945 /nfs/dbraw/zinc/22/79/45/542227945.db2.gz LOMHJQYLQOHLNQ-MRVPVSSYSA-N -1 3 297.811 3.310 20 0 CGADHM Cc1cc(C(=O)NCC2(C(F)(F)F)CCC2)ccc1[O-] ZINC000343198801 377926664 /nfs/dbraw/zinc/92/66/64/377926664.db2.gz XZLJWSQPCJYKJK-UHFFFAOYSA-N -1 3 287.281 3.163 20 0 CGADHM O=C([O-])c1cccc(CN[C@@H]2CCO[C@@H]2c2ccccc2)c1 ZINC000263435774 377935798 /nfs/dbraw/zinc/93/57/98/377935798.db2.gz UNYORQDVUOPTAJ-IAGOWNOFSA-N -1 3 297.354 3.005 20 0 CGADHM C[C@@H]1CC[C@H](C(=O)[O-])CN1Cc1ccc(Cl)cc1 ZINC000263452280 377939893 /nfs/dbraw/zinc/93/98/93/377939893.db2.gz AFSAVMPHNOEOIB-PWSUYJOCSA-N -1 3 267.756 3.025 20 0 CGADHM Cc1cccc([N-]C(=O)c2cc(-c3ccccn3)no2)c1F ZINC000343130027 377910186 /nfs/dbraw/zinc/91/01/86/377910186.db2.gz PDCVFVFQUBIBQR-UHFFFAOYSA-N -1 3 297.289 3.436 20 0 CGADHM C[C@@H]1C[C@@H]1c1ccc(CN2CCC[C@H](C(=O)[O-])[C@@H]2C)o1 ZINC000263014015 377913863 /nfs/dbraw/zinc/91/38/63/377913863.db2.gz CPYVHZPHFCMASD-XWUBHJNHSA-N -1 3 277.364 3.088 20 0 CGADHM C[C@H]1C[C@H](C)N(Cc2c(Cl)cccc2C(=O)[O-])C1 ZINC000579120115 378131109 /nfs/dbraw/zinc/13/11/09/378131109.db2.gz ZKMDAZGJBWWROU-UWVGGRQHSA-N -1 3 267.756 3.269 20 0 CGADHM CN(Cc1ccc(C(=O)[O-])cn1)[C@@H]1CCCc2ccccc21 ZINC000579967492 378212823 /nfs/dbraw/zinc/21/28/23/378212823.db2.gz MKRJGQNOBMXNAV-QGZVFWFLSA-N -1 3 296.370 3.289 20 0 CGADHM C[C@@H]1CCN(C/C=C/c2ccc(F)cc2F)C[C@H]1C(=O)[O-] ZINC000580074967 378221280 /nfs/dbraw/zinc/22/12/80/378221280.db2.gz PQCKTKFFIGUWRA-OIUHTZQUSA-N -1 3 295.329 3.021 20 0 CGADHM CC(C)(C)c1cc2c([n-]c(-c3ccncn3)nc2=O)s1 ZINC000345386330 378273971 /nfs/dbraw/zinc/27/39/71/378273971.db2.gz JIIUWZBEVQLTIY-UHFFFAOYSA-N -1 3 286.360 3.151 20 0 CGADHM O=C(CC1CCCC1)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000345448594 378286236 /nfs/dbraw/zinc/28/62/36/378286236.db2.gz JPMHSTFBMRIQTA-UHFFFAOYSA-N -1 3 269.348 3.017 20 0 CGADHM O=S(=O)([N-]C1CCC2(CCCCC2)CC1)c1ccco1 ZINC000345315027 378254079 /nfs/dbraw/zinc/25/40/79/378254079.db2.gz WRYYLBMYAQLHQP-UHFFFAOYSA-N -1 3 297.420 3.451 20 0 CGADHM CC[C@H](C(=O)Nc1cccc(Cl)c1[O-])N(CC)CC ZINC000270334978 378337445 /nfs/dbraw/zinc/33/74/45/378337445.db2.gz AFCYCTSTETYZOW-GFCCVEGCSA-N -1 3 284.787 3.105 20 0 CGADHM CC[C@@H](C)N(C)Cc1cc(C(=O)[O-])ccc1Cl ZINC000584416098 378382001 /nfs/dbraw/zinc/38/20/01/378382001.db2.gz MIUDVCKSOVFUGN-SECBINFHSA-N -1 3 255.745 3.269 20 0 CGADHM CN(CCCc1ccccc1)Cc1ccoc1C(=O)[O-] ZINC000584416025 378382026 /nfs/dbraw/zinc/38/20/26/378382026.db2.gz IFMYKXWLVLPOCT-UHFFFAOYSA-N -1 3 273.332 3.042 20 0 CGADHM O=C(CCCc1ccc([O-])c(F)c1)NCCC1=CCCC1 ZINC000345861056 378389298 /nfs/dbraw/zinc/38/92/98/378389298.db2.gz SNZSPGJCDCTBJJ-UHFFFAOYSA-N -1 3 291.366 3.471 20 0 CGADHM COc1cc(C(=O)[N-]c2csc3ccccc23)on1 ZINC000345999443 378434926 /nfs/dbraw/zinc/43/49/26/378434926.db2.gz NNDSHHVPINKOSN-UHFFFAOYSA-N -1 3 274.301 3.150 20 0 CGADHM Cc1noc([N-]C(=O)COc2ccc(Cl)c(C)c2)c1C ZINC000266130460 190232804 /nfs/dbraw/zinc/23/28/04/190232804.db2.gz DAYHJZMIBFCJEF-UHFFFAOYSA-N -1 3 294.738 3.271 20 0 CGADHM Cc1cc(C(=O)N([C@H](C)C2CC2)C2CC2)ccc1[O-] ZINC000272426603 378634338 /nfs/dbraw/zinc/63/43/38/378634338.db2.gz KUQPDJMAJBGAMO-LLVKDONJSA-N -1 3 259.349 3.104 20 0 CGADHM COc1cc(C(=O)N2CC[C@@H](c3ccccc3)C2)ccc1[O-] ZINC000272630269 378679608 /nfs/dbraw/zinc/67/96/08/378679608.db2.gz UQVUIAAAXMNGEV-OAHLLOKOSA-N -1 3 297.354 3.031 20 0 CGADHM CC[C@@H](C)[C@H](C)N(C(=O)c1cccc([O-])c1)C1CC1 ZINC000272765404 378700794 /nfs/dbraw/zinc/70/07/94/378700794.db2.gz MDGSLDIQIWSZRG-NEPJUHHUSA-N -1 3 261.365 3.431 20 0 CGADHM O=C(Nc1ccc(Cl)cc1[O-])[C@H]1CCCCS1 ZINC000272830185 378711392 /nfs/dbraw/zinc/71/13/92/378711392.db2.gz FISRUMAOGBEROZ-LLVKDONJSA-N -1 3 271.769 3.270 20 0 CGADHM C[C@@H]1CCN(C(=O)CC[C@@H]2CCCO2)c2c([O-])cccc21 ZINC000274337005 378813651 /nfs/dbraw/zinc/81/36/51/378813651.db2.gz CLILJYUBTGDXTM-OLZOCXBDSA-N -1 3 289.375 3.192 20 0 CGADHM CC[C@H](C)OCC(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000274374805 378822023 /nfs/dbraw/zinc/82/20/23/378822023.db2.gz LFUOHEVDVUEJHM-RYUDHWBXSA-N -1 3 277.364 3.048 20 0 CGADHM COc1cccc(CN(C)Cc2cc([O-])cc(F)c2)c1 ZINC000274569330 378852476 /nfs/dbraw/zinc/85/24/76/378852476.db2.gz LKYLAPPPSVWDDR-UHFFFAOYSA-N -1 3 275.323 3.172 20 0 CGADHM CC(C)c1cccc(NC(=O)NCc2ncccc2[O-])c1 ZINC000348447989 378956831 /nfs/dbraw/zinc/95/68/31/378956831.db2.gz KTXMIEGIOSJGEJ-UHFFFAOYSA-N -1 3 285.347 3.232 20 0 CGADHM CCc1cccc(C(=O)N(C)[C@H]2CC[C@@H](C)C2)c1[O-] ZINC000567308698 322158159 /nfs/dbraw/zinc/15/81/59/322158159.db2.gz REDSPHQKOUHTSA-YPMHNXCESA-N -1 3 261.365 3.215 20 0 CGADHM CC(C)c1ccc(C(=O)N2CCSCC[C@H]2C)c([O-])c1 ZINC000276717961 378985165 /nfs/dbraw/zinc/98/51/65/378985165.db2.gz AFLDZMSLEDGBRS-GFCCVEGCSA-N -1 3 293.432 3.483 20 0 CGADHM Cc1ccc2c(c1)CN(Cc1cc([O-])cc(F)c1)CCO2 ZINC000348652483 379011293 /nfs/dbraw/zinc/01/12/93/379011293.db2.gz VPSKYZWQDICPAO-UHFFFAOYSA-N -1 3 287.334 3.234 20 0 CGADHM CCc1ccc(CNCC2(CC(=O)[O-])CCCCC2)o1 ZINC000277035409 379050310 /nfs/dbraw/zinc/05/03/10/379050310.db2.gz QCTMUNSLTNVNJE-UHFFFAOYSA-N -1 3 279.380 3.357 20 0 CGADHM CC(C)(C)c1nc(CN[C@@H](CC(=O)[O-])C(C)(C)C)cs1 ZINC000277166174 379086468 /nfs/dbraw/zinc/08/64/68/379086468.db2.gz DMEFMJVGBQEIEU-NSHDSACASA-N -1 3 298.452 3.420 20 0 CGADHM C[C@H]1CCC[C@H](CC(=O)Nc2nnc(-c3ccco3)[n-]2)C1 ZINC000347393562 218218862 /nfs/dbraw/zinc/21/88/62/218218862.db2.gz WFYOEJSAGHTDEX-QWRGUYRKSA-N -1 3 288.351 3.220 20 0 CGADHM C[C@H]1CCC[C@H](CC(=O)Nc2nc(-c3ccco3)n[n-]2)C1 ZINC000347393562 218218863 /nfs/dbraw/zinc/21/88/63/218218863.db2.gz WFYOEJSAGHTDEX-QWRGUYRKSA-N -1 3 288.351 3.220 20 0 CGADHM C[C@H]1CCC[C@H](CC(=O)Nc2n[n-]c(-c3ccco3)n2)C1 ZINC000347393562 218218864 /nfs/dbraw/zinc/21/88/64/218218864.db2.gz WFYOEJSAGHTDEX-QWRGUYRKSA-N -1 3 288.351 3.220 20 0 CGADHM CCn1cc(NCc2cc([O-])cc(C(F)(F)F)c2)cn1 ZINC000289458468 197357217 /nfs/dbraw/zinc/35/72/17/197357217.db2.gz HSZCDORQWDKUQP-UHFFFAOYSA-N -1 3 285.269 3.240 20 0 CGADHM CC[C@H]1OCCC[C@@H]1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000277259068 379111033 /nfs/dbraw/zinc/11/10/33/379111033.db2.gz FWZKCFVUAOSZCX-GXFFZTMASA-N -1 3 283.755 3.189 20 0 CGADHM CC(C)(C)[C@H](CC(=O)[O-])NCc1ccc(Cl)cc1F ZINC000277299159 379124225 /nfs/dbraw/zinc/12/42/25/379124225.db2.gz MUIFPRYDXBLFAW-LBPRGKRZSA-N -1 3 287.762 3.458 20 0 CGADHM C[C@@H](CCCNCc1c(F)cccc1Cl)C(=O)[O-] ZINC000277470066 379166181 /nfs/dbraw/zinc/16/61/81/379166181.db2.gz WASSDULQSOLJMU-VIFPVBQESA-N -1 3 273.735 3.070 20 0 CGADHM C[C@@H](C(=O)[O-])[C@@H](NCc1cccs1)c1ccccc1 ZINC000277420069 379156670 /nfs/dbraw/zinc/15/66/70/379156670.db2.gz SWUYUDNMICTQMZ-BXUZGUMPSA-N -1 3 275.373 3.300 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CC[C@H](CC(F)(F)F)C2)c1 ZINC000277492176 379173685 /nfs/dbraw/zinc/17/36/85/379173685.db2.gz RYDGGUWSMHRNQC-SNVBAGLBSA-N -1 3 287.281 3.115 20 0 CGADHM O=C([O-])[C@H](NCC1CCCCC1)c1c(F)cccc1F ZINC000277522285 379179964 /nfs/dbraw/zinc/17/99/64/379179964.db2.gz YUQMHNIVBPXGBA-CQSZACIVSA-N -1 3 283.318 3.260 20 0 CGADHM CCOc1cc(-c2noc([C@@H](C)SC)n2)ccc1[O-] ZINC000278095909 379292668 /nfs/dbraw/zinc/29/26/68/379292668.db2.gz OYBHGVNQQUWRDK-MRVPVSSYSA-N -1 3 280.349 3.265 20 0 CGADHM CCOc1cc(-c2noc(CC3CCC3)n2)ccc1[O-] ZINC000278101601 379292750 /nfs/dbraw/zinc/29/27/50/379292750.db2.gz PKPTVMCRTFRSMN-UHFFFAOYSA-N -1 3 274.320 3.184 20 0 CGADHM COC[C@@H]([N-]c1nnc(C2CC2)o1)c1ccc(Cl)cc1 ZINC000278266719 379331940 /nfs/dbraw/zinc/33/19/40/379331940.db2.gz AHEPRAUBCYNYMU-GFCCVEGCSA-N -1 3 293.754 3.400 20 0 CGADHM COc1cc(C(=O)N(CC2CCC2)C(C)C)ccc1[O-] ZINC000278136085 379299681 /nfs/dbraw/zinc/29/96/81/379299681.db2.gz NBADBUJWCLJXCF-UHFFFAOYSA-N -1 3 277.364 3.052 20 0 CGADHM CCc1ccc(C(=O)N2CCSC(C)(C)CC2)c([O-])c1 ZINC000279365266 379419778 /nfs/dbraw/zinc/41/97/78/379419778.db2.gz SDWRTHDGWZVCSI-UHFFFAOYSA-N -1 3 293.432 3.312 20 0 CGADHM COc1cc(-c2noc([C@H]3CCC(C)(C)O3)n2)ccc1[O-] ZINC000278988138 194242861 /nfs/dbraw/zinc/24/28/61/194242861.db2.gz KSBRKQXXJJLYPU-LLVKDONJSA-N -1 3 290.319 3.081 20 0 CGADHM CN(Cc1cccs1)Cc1c(F)ccc([O-])c1F ZINC000350225275 379530249 /nfs/dbraw/zinc/53/02/49/379530249.db2.gz WRJGUTQUAZKEMX-UHFFFAOYSA-N -1 3 269.316 3.364 20 0 CGADHM CSCCO[N-]C(=O)C[C@H](C)c1c[nH]c2ccccc21 ZINC000279885711 379542041 /nfs/dbraw/zinc/54/20/41/379542041.db2.gz FKSIAUSEQFHGJP-NSHDSACASA-N -1 3 292.404 3.072 20 0 CGADHM CO[C@@]1(C)CCCN(C(=O)c2ccc(C(C)C)cc2[O-])C1 ZINC000280065585 379594728 /nfs/dbraw/zinc/59/47/28/379594728.db2.gz PNGKKXPDKSMWLV-KRWDZBQOSA-N -1 3 291.391 3.157 20 0 CGADHM CN(C(=O)c1cc([O-])ccc1C(F)(F)F)C1CCCC1 ZINC000280077422 379598761 /nfs/dbraw/zinc/59/87/61/379598761.db2.gz YBUDEPUPDPECRL-UHFFFAOYSA-N -1 3 287.281 3.426 20 0 CGADHM CO[C@H]1CCC[C@H](c2nc(-c3ccc([O-])cc3)no2)C1 ZINC000350564200 379562278 /nfs/dbraw/zinc/56/22/78/379562278.db2.gz FRPLEAUCQAWTNU-AAEUAGOBSA-N -1 3 274.320 3.115 20 0 CGADHM Cc1ccc([O-])c(C(=O)N(CC2CC2)CC2CCC2)c1 ZINC000279962646 379564665 /nfs/dbraw/zinc/56/46/65/379564665.db2.gz HHLNFHDZHOCPPN-UHFFFAOYSA-N -1 3 273.376 3.353 20 0 CGADHM CC(C)N(C)Cc1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000350580863 379565785 /nfs/dbraw/zinc/56/57/85/379565785.db2.gz LCRHIJNIZJQHAH-UHFFFAOYSA-N -1 3 297.358 3.436 20 0 CGADHM [O-]c1ccc(-c2noc(CSc3ccncc3)n2)cc1 ZINC000350584403 379566818 /nfs/dbraw/zinc/56/68/18/379566818.db2.gz SGKBKYKGHGXRKS-UHFFFAOYSA-N -1 3 285.328 3.130 20 0 CGADHM [O-]c1ccc(-c2nc(-c3ccc4[nH]cnc4c3)no2)c(F)c1 ZINC000350590528 379569266 /nfs/dbraw/zinc/56/92/66/379569266.db2.gz WOLZQSARTMPSQH-UHFFFAOYSA-N -1 3 296.261 3.125 20 0 CGADHM [O-]c1ccc(Cc2nc(CCC(F)(F)F)no2)cc1F ZINC000351162107 379666554 /nfs/dbraw/zinc/66/65/54/379666554.db2.gz NTOGMSXJYYVAOR-UHFFFAOYSA-N -1 3 290.216 3.000 20 0 CGADHM CC(F)(F)C(=O)[N-][C@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC000377399081 379672019 /nfs/dbraw/zinc/67/20/19/379672019.db2.gz NFIKRVSESYPULD-JTQLQIEISA-N -1 3 287.281 3.199 20 0 CGADHM CCc1onc(C)c1[N-]C(=O)c1cc(C(F)(F)F)ccn1 ZINC000640041617 379700606 /nfs/dbraw/zinc/70/06/06/379700606.db2.gz JHICRSOYQXVYMG-UHFFFAOYSA-N -1 3 299.252 3.212 20 0 CGADHM CC[C@H](Oc1cccc(C)c1)C(=O)[N-]c1onc(C)c1C ZINC000267344452 190323079 /nfs/dbraw/zinc/32/30/79/190323079.db2.gz OHTZELDJGZUATB-AWEZNQCLSA-N -1 3 288.347 3.396 20 0 CGADHM CSc1cc(O)ccc1[N-]C(=O)c1cnc(C2CC2)o1 ZINC000640187427 379740948 /nfs/dbraw/zinc/74/09/48/379740948.db2.gz NOXMGCBCMUCRSG-UHFFFAOYSA-N -1 3 290.344 3.232 20 0 CGADHM CCCOc1ccc(NC(=O)c2cc(C(F)F)[n-]n2)cc1 ZINC000640059411 379703770 /nfs/dbraw/zinc/70/37/70/379703770.db2.gz SGJIQVHXZQGRER-UHFFFAOYSA-N -1 3 295.289 3.388 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)S[C@H](C)C(=O)OC(C)(C)C)n1 ZINC000280845878 379805461 /nfs/dbraw/zinc/80/54/61/379805461.db2.gz BCPWUCRWCLZRTL-VHSXEESVSA-N -1 3 298.408 3.015 20 0 CGADHM Cc1ccc([O-])c(CN2CCC[C@@H](Oc3ccccc3)C2)n1 ZINC000352320468 379763735 /nfs/dbraw/zinc/76/37/35/379763735.db2.gz QJROQAVHXGRIEA-MRXNPFEDSA-N -1 3 298.386 3.139 20 0 CGADHM Cc1ccsc1[C@H]1C[C@H]1C(=O)Nc1cccc2n[n-]nc21 ZINC000640380439 379780622 /nfs/dbraw/zinc/78/06/22/379780622.db2.gz RWCYJJRDLKUBCL-VHSXEESVSA-N -1 3 298.371 3.070 20 0 CGADHM CCN(Cc1cccc(C(=O)[O-])c1Cl)C(C)C ZINC000381661188 379868988 /nfs/dbraw/zinc/86/89/88/379868988.db2.gz JSUNKYOHLPOOJX-UHFFFAOYSA-N -1 3 255.745 3.269 20 0 CGADHM Cc1nocc1[N-]C(=O)c1oc2ccccc2c1CN(C)C ZINC000640486328 379811342 /nfs/dbraw/zinc/81/13/42/379811342.db2.gz OKAWIWNIHALOFA-UHFFFAOYSA-N -1 3 299.330 3.043 20 0 CGADHM CCO[C@@H](CCNCc1c(F)ccc([O-])c1F)C(C)C ZINC000352656644 379896472 /nfs/dbraw/zinc/89/64/72/379896472.db2.gz BUTNUPRMAYAFKM-AWEZNQCLSA-N -1 3 287.350 3.211 20 0 CGADHM O=C(c1c([O-])cccc1O)N1CCC[C@H](C2CCC2)CC1 ZINC000641233531 379968873 /nfs/dbraw/zinc/96/88/73/379968873.db2.gz GIPJCZXOKOTGQL-ZDUSSCGKSA-N -1 3 289.375 3.140 20 0 CGADHM Cc1ccc(C(=O)N(C)C[C@H]2CC=CCC2)c([O-])c1 ZINC000402782165 379972643 /nfs/dbraw/zinc/97/26/43/379972643.db2.gz RGRHCMQSAZWWDO-ZDUSSCGKSA-N -1 3 259.349 3.129 20 0 CGADHM CC[C@@H]1CC[C@@H](c2nc(-c3ccc([O-])cc3)no2)O1 ZINC000268082469 190374958 /nfs/dbraw/zinc/37/49/58/190374958.db2.gz PSCYYZHYXXFDDD-NEPJUHHUSA-N -1 3 260.293 3.072 20 0 CGADHM CC[C@H]1CC[C@H](c2nc(-c3ccc([O-])cc3)no2)O1 ZINC000268082470 190375208 /nfs/dbraw/zinc/37/52/08/190375208.db2.gz PSCYYZHYXXFDDD-NWDGAFQWSA-N -1 3 260.293 3.072 20 0 CGADHM C[C@H](NCc1cc([O-])cc(C(F)(F)F)c1)C(F)F ZINC000641794554 380109141 /nfs/dbraw/zinc/10/91/41/380109141.db2.gz VPSOZKFKGWDNRU-LURJTMIESA-N -1 3 269.213 3.154 20 0 CGADHM COc1cc(C(=O)N2CCC[C@@H](C(C)C)CC2)ccc1[O-] ZINC000353131038 380132115 /nfs/dbraw/zinc/13/21/15/380132115.db2.gz MLBMFUYXURBODY-CYBMUJFWSA-N -1 3 291.391 3.299 20 0 CGADHM Cc1ccc(F)c(S(=O)(=O)[N-][C@@H]2CCC[C@H](C)[C@@H]2C)c1 ZINC000642375577 380169950 /nfs/dbraw/zinc/16/99/50/380169950.db2.gz YWRHKIBANIVBKT-SGMGOOAPSA-N -1 3 299.411 3.237 20 0 CGADHM C[C@@H](CNCc1c(F)ccc([O-])c1F)CC(F)(F)F ZINC000414519415 380293770 /nfs/dbraw/zinc/29/37/70/380293770.db2.gz UJEJFFJBKGEBBO-SSDOTTSWSA-N -1 3 283.240 3.349 20 0 CGADHM O=C([O-])[C@@H]1CCN(Cc2ccc(-c3ccccc3)cc2F)C1 ZINC000414673306 380365841 /nfs/dbraw/zinc/36/58/41/380365841.db2.gz DBNVFACINLAGGO-MRXNPFEDSA-N -1 3 299.345 3.399 20 0 CGADHM O=C([O-])CCCNCc1cc(Cl)ccc1OCC1CC1 ZINC000414684063 380372921 /nfs/dbraw/zinc/37/29/21/380372921.db2.gz QIWBUUVMZCPSHE-UHFFFAOYSA-N -1 3 297.782 3.083 20 0 CGADHM COc1cc(C)ccc1CN[C@H](C(=O)[O-])c1ccc(C)cc1 ZINC000417531411 380633023 /nfs/dbraw/zinc/63/30/23/380633023.db2.gz JIXBNTQGRXSUEC-KRWDZBQOSA-N -1 3 299.370 3.228 20 0 CGADHM C[C@H]1CC[C@](CNCc2ccc(Cl)o2)(CC(=O)[O-])C1 ZINC000417563561 380640337 /nfs/dbraw/zinc/64/03/37/380640337.db2.gz JZYQFVVCNYHQSW-IINYFYTJSA-N -1 3 285.771 3.304 20 0 CGADHM CC[C@@H](CNCc1c(F)cc(C)cc1Cl)CC(=O)[O-] ZINC000417570570 380641655 /nfs/dbraw/zinc/64/16/55/380641655.db2.gz SCHLDPQXRCUQKD-SNVBAGLBSA-N -1 3 287.762 3.378 20 0 CGADHM CCCC[C@@H](COC)NCc1cccc([O-])c1Cl ZINC000645158690 380597910 /nfs/dbraw/zinc/59/79/10/380597910.db2.gz KJIFUEHMXIOVQB-LBPRGKRZSA-N -1 3 271.788 3.340 20 0 CGADHM C[C@@](CO)(NCc1cccc([O-])c1Cl)C1CCCCC1 ZINC000645156738 380598527 /nfs/dbraw/zinc/59/85/27/380598527.db2.gz VUCCHFZPOXPDDW-INIZCTEOSA-N -1 3 297.826 3.467 20 0 CGADHM [O-]c1cccc(CNC[C@H](CO)CC2CCCC2)c1Cl ZINC000645178017 380606406 /nfs/dbraw/zinc/60/64/06/380606406.db2.gz GZKBDQBNCNINAW-CYBMUJFWSA-N -1 3 297.826 3.324 20 0 CGADHM Cc1ccc(CN[C@@H](COC(C)(C)C)C(=O)[O-])cc1Cl ZINC000417599467 380647267 /nfs/dbraw/zinc/64/72/67/380647267.db2.gz OZSNUAOZCCWMGF-ZDUSSCGKSA-N -1 3 299.798 3.006 20 0 CGADHM COCc1ccc(CNCc2ccc(C(=O)[O-])c(C)c2)cc1 ZINC000417665774 380664087 /nfs/dbraw/zinc/66/40/87/380664087.db2.gz DETLLSQOFGDFAX-UHFFFAOYSA-N -1 3 299.370 3.129 20 0 CGADHM Cc1cccc(C)c1CNC[C@@H](CC(=O)[O-])C(F)(F)F ZINC000417631263 380658215 /nfs/dbraw/zinc/65/82/15/380658215.db2.gz RWLPCTSVSVERRF-LLVKDONJSA-N -1 3 289.297 3.046 20 0 CGADHM Cc1cc(C(=O)N[C@H]2CCOc3c(C)cccc32)ccc1[O-] ZINC000356673723 380818865 /nfs/dbraw/zinc/81/88/65/380818865.db2.gz KYJHAUZKAAMZOH-HNNXBMFYSA-N -1 3 297.354 3.263 20 0 CGADHM CCN(Cc1nc2c3ccccc3oc2c(=O)[n-]1)C(C)C ZINC000357084878 381024337 /nfs/dbraw/zinc/02/43/37/381024337.db2.gz BCCCKDMZKHVVJQ-UHFFFAOYSA-N -1 3 285.347 3.312 20 0 CGADHM COc1cc(F)ccc1[N-]S(=O)(=O)CCC(C)(C)C ZINC000357022271 380992129 /nfs/dbraw/zinc/99/21/29/380992129.db2.gz BQJRTFSOVQGZJH-UHFFFAOYSA-N -1 3 289.372 3.012 20 0 CGADHM Cc1ccc(-c2nnco2)cc1NC(=O)c1cccc([O-])c1 ZINC000357249441 381083311 /nfs/dbraw/zinc/08/33/11/381083311.db2.gz VMCBBLQUVMPGAX-UHFFFAOYSA-N -1 3 295.298 3.003 20 0 CGADHM C[C@H](NC(=O)c1cccc([O-])c1)[C@H]1Oc2ccccc2[C@H]1C ZINC000357302432 381097030 /nfs/dbraw/zinc/09/70/30/381097030.db2.gz JRAJNSPNMLBNAT-PEBVRCNWSA-N -1 3 297.354 3.075 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CCSC3(CCC3)CC2)c1 ZINC000334799444 207096664 /nfs/dbraw/zinc/09/66/64/207096664.db2.gz NIIRXRMXHIZBAY-UHFFFAOYSA-N -1 3 291.416 3.202 20 0 CGADHM Cc1sc2[n-]c(CO)nc(=O)c2c1-c1ccc(F)cc1 ZINC000361419812 381740200 /nfs/dbraw/zinc/74/02/00/381740200.db2.gz HVVMMWMVJMATEN-UHFFFAOYSA-N -1 3 290.319 3.004 20 0 CGADHM CO[C@@H]1CCN(C(=O)c2ccc(C(C)C)cc2[O-])C[C@H]1C ZINC000334912237 207279729 /nfs/dbraw/zinc/27/97/29/207279729.db2.gz UZTXCXXTZADYBY-MLGOLLRUSA-N -1 3 291.391 3.013 20 0 CGADHM [O-]c1cccc(CN2CCC[C@@H]([C@H]3CCOC3)C2)c1Cl ZINC000334931483 207313697 /nfs/dbraw/zinc/31/36/97/207313697.db2.gz YUFMTTIOPJFSMK-OCCSQVGLSA-N -1 3 295.810 3.294 20 0 CGADHM COc1ccc(-c2ccccc2)cc1CN[C@@H](C)CC(=O)[O-] ZINC000362347995 381951066 /nfs/dbraw/zinc/95/10/66/381951066.db2.gz CDQTZSQUNHFLBU-ZDUSSCGKSA-N -1 3 299.370 3.315 20 0 CGADHM O=[S@](Cc1cc2ccccc2o1)c1ccc([O-])cc1 ZINC000362865927 382134255 /nfs/dbraw/zinc/13/42/55/382134255.db2.gz DOEARLJDCZQQML-LJQANCHMSA-N -1 3 272.325 3.446 20 0 CGADHM C[C@@H]1CCN(Cc2ccc(F)c(Cl)c2)[C@@H](C(=O)[O-])C1 ZINC000231059074 542304750 /nfs/dbraw/zinc/30/47/50/542304750.db2.gz KALTWTONPZFKRB-NOZJJQNGSA-N -1 3 285.746 3.164 20 0 CGADHM Cc1ccc(CN2CCC(C)(C(=O)[O-])CC2)cc1Cl ZINC000235869522 542313541 /nfs/dbraw/zinc/31/35/41/542313541.db2.gz QMKYOEKUSVVVHD-UHFFFAOYSA-N -1 3 281.783 3.335 20 0 CGADHM CCOc1ccc([C@@H]2C[C@H]2NC(=O)c2cccc([O-])c2)cc1 ZINC000280965842 195049549 /nfs/dbraw/zinc/04/95/49/195049549.db2.gz IAKFYRRQDRHDEL-DLBZAZTESA-N -1 3 297.354 3.077 20 0 CGADHM COc1ccccc1[C@H](NCc1ccc(C)cc1C)C(=O)[O-] ZINC000426785699 533020505 /nfs/dbraw/zinc/02/05/05/533020505.db2.gz YPRDBUYZEFDHEV-KRWDZBQOSA-N -1 3 299.370 3.228 20 0 CGADHM Cc1ccc(NC(=O)NCc2ncccc2[O-])c(Cl)c1 ZINC000335266669 208061889 /nfs/dbraw/zinc/06/18/89/208061889.db2.gz FORPUBKCAHGGMA-UHFFFAOYSA-N -1 3 291.738 3.071 20 0 CGADHM Cc1nc(C)c(NC(=O)Cc2ccc([O-])cc2Cl)s1 ZINC000335400277 208372466 /nfs/dbraw/zinc/37/24/66/208372466.db2.gz VHHHRAYDFNIXQI-UHFFFAOYSA-N -1 3 296.779 3.300 20 0 CGADHM O=[S@@](CCOC1CCCCCC1)c1cccc([O-])c1 ZINC000350516945 219033453 /nfs/dbraw/zinc/03/34/53/219033453.db2.gz XUTWFEKFRNGABS-IBGZPJMESA-N -1 3 282.405 3.239 20 0 CGADHM CCc1cccc(NC(=O)/C=C/c2cncc([O-])c2)c1 ZINC000179386033 260046463 /nfs/dbraw/zinc/04/64/63/260046463.db2.gz BNMVOWXECCDKOP-VOTSOKGWSA-N -1 3 268.316 3.002 20 0 CGADHM COc1ccc(C(=O)N(C)Cc2cc(C)ccc2C)c([O-])c1 ZINC000436843370 533283586 /nfs/dbraw/zinc/28/35/86/533283586.db2.gz HBCBLZUQHHSZJG-UHFFFAOYSA-N -1 3 299.370 3.290 20 0 CGADHM COc1ccc(C(=O)N(C)[C@@H]2CCc3ccccc32)c([O-])c1 ZINC000192626682 533284558 /nfs/dbraw/zinc/28/45/58/533284558.db2.gz FXTQTFPHQRDWTI-MRXNPFEDSA-N -1 3 297.354 3.160 20 0 CGADHM CO[C@](C)([C@@H](C)NCc1cccc([O-])c1Cl)C1CC1 ZINC000414500517 533347229 /nfs/dbraw/zinc/34/72/29/533347229.db2.gz LVYKFFHGEDWDJP-MEBBXXQBSA-N -1 3 283.799 3.339 20 0 CGADHM COc1cccc(CCCNC(=O)c2ccc(C)cc2[O-])c1 ZINC000436751393 533456138 /nfs/dbraw/zinc/45/61/38/533456138.db2.gz ROXZKGYWCPFMEL-UHFFFAOYSA-N -1 3 299.370 3.072 20 0 CGADHM COc1cc(-c2noc(-c3cccc(F)c3)n2)ccc1[O-] ZINC000436782013 533456225 /nfs/dbraw/zinc/45/62/25/533456225.db2.gz AKKNAXHXYBOHKU-UHFFFAOYSA-N -1 3 286.262 3.257 20 0 CGADHM COc1ccc(C2(NC(=O)c3cc(C)ccc3[O-])CC2)cc1 ZINC000436557971 533427720 /nfs/dbraw/zinc/42/77/20/533427720.db2.gz YYPDHOGASCFAQC-UHFFFAOYSA-N -1 3 297.354 3.128 20 0 CGADHM COc1ccc(C2(NC(=O)c3cccc(C)c3[O-])CC2)cc1 ZINC000436557946 533428241 /nfs/dbraw/zinc/42/82/41/533428241.db2.gz YRUUQXNVGWFPNR-UHFFFAOYSA-N -1 3 297.354 3.128 20 0 CGADHM CSCCCCNC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000436963674 533556666 /nfs/dbraw/zinc/55/66/66/533556666.db2.gz FDJRBRYDHGKVFN-UHFFFAOYSA-N -1 3 293.432 3.144 20 0 CGADHM CCC(CC)n1ccc(CN(C)C2(C(=O)[O-])CCCC2)n1 ZINC000386577772 542603765 /nfs/dbraw/zinc/60/37/65/542603765.db2.gz RONZUJUZCMPENY-UHFFFAOYSA-N -1 3 293.411 3.073 20 0 CGADHM CC(C)c1ccc(C(=O)N2CCC[C@@H](C)C2)c([O-])c1 ZINC000048379356 391998773 /nfs/dbraw/zinc/99/87/73/391998773.db2.gz GVXDTQRYEFCXSC-GFCCVEGCSA-N -1 3 261.365 3.388 20 0 CGADHM CO[N-]C(=O)/C=C\c1sc2ccccc2c1Cl ZINC000048461959 392001516 /nfs/dbraw/zinc/00/15/16/392001516.db2.gz KEINBXXADVMQDB-SREVYHEPSA-N -1 3 267.737 3.246 20 0 CGADHM Cc1ccc(CNC(=O)c2ccc(C)c(C)c2[O-])cc1 ZINC000048517739 392001753 /nfs/dbraw/zinc/00/17/53/392001753.db2.gz GIQGIHXMRUDOOQ-UHFFFAOYSA-N -1 3 269.344 3.247 20 0 CGADHM Cc1ccc2[nH]c(C(=O)Nc3ccccc3[O-])cc2c1 ZINC000029568317 391957977 /nfs/dbraw/zinc/95/79/77/391957977.db2.gz IFXGWHVUTGWPAP-UHFFFAOYSA-N -1 3 266.300 3.434 20 0 CGADHM CC1CCN(C(=O)c2cc3c(cc2[O-])CCCC3)CC1 ZINC000049179937 392037655 /nfs/dbraw/zinc/03/76/55/392037655.db2.gz OSZZFGLBGZBYIL-UHFFFAOYSA-N -1 3 273.376 3.143 20 0 CGADHM CN(Cc1nc(=O)c2sccc2[n-]1)CC1CCCC1 ZINC000049492059 392049783 /nfs/dbraw/zinc/04/97/83/392049783.db2.gz KHWWWYWMMPZTPE-UHFFFAOYSA-N -1 3 277.393 3.019 20 0 CGADHM Cc1ccc(C(=O)N2CCCc3cccc([O-])c32)s1 ZINC000063063816 392134972 /nfs/dbraw/zinc/13/49/72/392134972.db2.gz YFTWHCPZGKYEDC-UHFFFAOYSA-N -1 3 273.357 3.355 20 0 CGADHM CCCCc1nc(C[S@](=O)c2ccc([O-])cc2)cs1 ZINC000108087078 392336255 /nfs/dbraw/zinc/33/62/55/392336255.db2.gz SCODRVMKRQUMAN-LJQANCHMSA-N -1 3 295.429 3.499 20 0 CGADHM CCc1ccc(C(=O)Nc2cnn(C(C)(C)C)c2)c([O-])c1 ZINC000436817946 542659038 /nfs/dbraw/zinc/65/90/38/542659038.db2.gz YXZOKNSHWOYJGA-UHFFFAOYSA-N -1 3 287.363 3.158 20 0 CGADHM CCCC1(C(=O)Nc2ccc(OC)cc2[O-])CCC1 ZINC000443562374 542666667 /nfs/dbraw/zinc/66/66/67/542666667.db2.gz UNXAYKSWNGBKHK-UHFFFAOYSA-N -1 3 263.337 3.310 20 0 CGADHM COc1ccc(NC(=O)CCC(C)(C)C)c([O-])c1 ZINC000443560489 542666839 /nfs/dbraw/zinc/66/68/39/542666839.db2.gz PJTWOCCSZHVRDI-UHFFFAOYSA-N -1 3 251.326 3.166 20 0 CGADHM CCc1cc(C(=O)Nc2ccc(OC)cc2[O-])oc1CC ZINC000443564132 542667193 /nfs/dbraw/zinc/66/71/93/542667193.db2.gz AIIVIOGADRPQNU-UHFFFAOYSA-N -1 3 289.331 3.371 20 0 CGADHM CO[C@@]1(C)CCCN(Cc2cccc([O-])c2Cl)CC1 ZINC000294250383 392534200 /nfs/dbraw/zinc/53/42/00/392534200.db2.gz AISZACRIKNBZDB-HNNXBMFYSA-N -1 3 283.799 3.437 20 0 CGADHM [O-]c1cccc(CNCC2(CO)CCCCC2)c1Cl ZINC000328431333 392674937 /nfs/dbraw/zinc/67/49/37/392674937.db2.gz BBEHNKRUTVFSAF-UHFFFAOYSA-N -1 3 283.799 3.078 20 0 CGADHM CCC[C@H]1[C@@H](C)CCCN1C(=O)c1cc(OC)ccc1[O-] ZINC000175290701 392650106 /nfs/dbraw/zinc/65/01/06/392650106.db2.gz UIGDBBBTUDUARQ-WFASDCNBSA-N -1 3 291.391 3.442 20 0 CGADHM CCc1cccc(F)c1CN1CCC(C)(C(=O)[O-])CC1 ZINC000647464374 392728731 /nfs/dbraw/zinc/72/87/31/392728731.db2.gz MIRXXXDFYPJDSM-UHFFFAOYSA-N -1 3 279.355 3.075 20 0 CGADHM CCc1nc(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])co1 ZINC000506243038 392716841 /nfs/dbraw/zinc/71/68/41/392716841.db2.gz IDZXFDFYZJXZLA-UHFFFAOYSA-N -1 3 288.347 3.492 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CC[C@@H](C)C[C@@H](C)C2)c1 ZINC000506237595 392717032 /nfs/dbraw/zinc/71/70/32/392717032.db2.gz FOOMBFBZSTUWBV-CHWSQXEVSA-N -1 3 275.392 3.463 20 0 CGADHM Cc1cccc([C@@H]2CCCN2C(=O)c2ccc([O-])c(C)c2)n1 ZINC000336157107 392837175 /nfs/dbraw/zinc/83/71/75/392837175.db2.gz HWEYPHSBGRTWGH-INIZCTEOSA-N -1 3 296.370 3.381 20 0 CGADHM C[C@@H]1CCN([C@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)C1 ZINC000519763307 392891435 /nfs/dbraw/zinc/89/14/35/392891435.db2.gz WFGBVFSCZMMRPV-PELKAZGASA-N -1 3 288.174 3.461 20 0 CGADHM O=c1[n-]c(Cc2ccc(F)cc2Cl)nc2cccnc12 ZINC000491612673 542718204 /nfs/dbraw/zinc/71/82/04/542718204.db2.gz LBHVRSQJVOMXPD-UHFFFAOYSA-N -1 3 289.697 3.114 20 0 CGADHM COc1ccc([O-])c(C(=O)NCC(C)(C)c2ccccc2)c1 ZINC000195537641 392971391 /nfs/dbraw/zinc/97/13/91/392971391.db2.gz XZUOHOXAACJWGI-UHFFFAOYSA-N -1 3 299.370 3.108 20 0 CGADHM O=C(Nc1ccc(F)c(C2CC2)c1)c1cccc2nn[n-]c21 ZINC000547407571 393112276 /nfs/dbraw/zinc/11/22/76/393112276.db2.gz CWKHXFFMUFGDAE-UHFFFAOYSA-N -1 3 296.305 3.227 20 0 CGADHM O=C(Nc1ccc(F)c(C2CC2)c1)c1cccc2[n-]nnc21 ZINC000547407571 393112277 /nfs/dbraw/zinc/11/22/77/393112277.db2.gz CWKHXFFMUFGDAE-UHFFFAOYSA-N -1 3 296.305 3.227 20 0 CGADHM O=C(Nc1ccc(F)c(C2CC2)c1)c1cccc2n[n-]nc21 ZINC000547407571 393112282 /nfs/dbraw/zinc/11/22/82/393112282.db2.gz CWKHXFFMUFGDAE-UHFFFAOYSA-N -1 3 296.305 3.227 20 0 CGADHM CCCC1(C[N-]S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000470606067 393249764 /nfs/dbraw/zinc/24/97/64/393249764.db2.gz KKBQAAUSFDVRBD-UHFFFAOYSA-N -1 3 293.841 3.260 20 0 CGADHM [O-]c1cccnc1CNCc1ccc(Oc2ccccc2)o1 ZINC000355279025 393286836 /nfs/dbraw/zinc/28/68/36/393286836.db2.gz LHAAWHRKEAUJED-UHFFFAOYSA-N -1 3 296.326 3.462 20 0 CGADHM CCc1cc(C(=O)N2C[C@H](C)[C@@H](C)[C@H]2C)ccc1[O-] ZINC000416318564 393298497 /nfs/dbraw/zinc/29/84/97/393298497.db2.gz GCSMXEGCELLVAN-QJPTWQEYSA-N -1 3 261.365 3.071 20 0 CGADHM COc1ccc(CN[C@H](C(=O)[O-])c2cccc(C)c2C)cc1 ZINC000277227091 393306080 /nfs/dbraw/zinc/30/60/80/393306080.db2.gz IGXWMLZZPNIOHK-KRWDZBQOSA-N -1 3 299.370 3.228 20 0 CGADHM CC[C@H](C)[C@@H](NC(=O)c1cccc([O-])c1)C(F)(F)F ZINC000278261481 393317205 /nfs/dbraw/zinc/31/72/05/393317205.db2.gz YEBQBMXFYLPOCX-GZMMTYOYSA-N -1 3 275.270 3.099 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)c1ccc(C)c(Cl)c1 ZINC000649232171 393380776 /nfs/dbraw/zinc/38/07/76/393380776.db2.gz VSZLPHVBISFLPK-UHFFFAOYSA-N -1 3 291.782 3.478 20 0 CGADHM CC1(C)CN(C(=O)Cc2ccc([O-])c(F)c2)c2ccccc21 ZINC000649121326 393348376 /nfs/dbraw/zinc/34/83/76/393348376.db2.gz RIMVHAFROJZPHS-UHFFFAOYSA-N -1 3 299.345 3.398 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@H]1CCCC[C@@H]1C1CC1 ZINC000649228619 393376270 /nfs/dbraw/zinc/37/62/70/393376270.db2.gz WLTKTZQNBAAZKW-KGLIPLIRSA-N -1 3 289.423 3.418 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)C1CCC(F)(F)CC1 ZINC000649230691 393379114 /nfs/dbraw/zinc/37/91/14/393379114.db2.gz SSUAXSFZLHEPAS-UHFFFAOYSA-N -1 3 285.338 3.027 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@H](C)c1ccsc1 ZINC000649230913 393379169 /nfs/dbraw/zinc/37/91/69/393379169.db2.gz ACUMIWSTGRUGDB-SECBINFHSA-N -1 3 277.393 3.067 20 0 CGADHM O=C([O-])[C@@H](CNCc1cc(Cl)ccc1F)CC1CC1 ZINC000649511785 393465022 /nfs/dbraw/zinc/46/50/22/393465022.db2.gz QKRSIURTQBUVCK-LLVKDONJSA-N -1 3 285.746 3.070 20 0 CGADHM CC[C@H](C)[C@H](OC)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000356525703 393472681 /nfs/dbraw/zinc/47/26/81/393472681.db2.gz BNPHHKHBJMRILO-UFBFGSQYSA-N -1 3 271.744 3.045 20 0 CGADHM COCCC1(c2noc(-c3ccc(C)cc3[O-])n2)CCC1 ZINC000420514964 393494714 /nfs/dbraw/zinc/49/47/14/393494714.db2.gz PFYBIXKVDWTGDS-UHFFFAOYSA-N -1 3 288.347 3.209 20 0 CGADHM CC[C@H]1CCN1Cc1cc([O-])cc(C(F)(F)F)c1 ZINC000430193942 393536310 /nfs/dbraw/zinc/53/63/10/393536310.db2.gz HKFJYLWOPGWKDG-NSHDSACASA-N -1 3 259.271 3.395 20 0 CGADHM Cc1ccc([O-])c(NC(=O)CC2CC(OC(C)(C)C)C2)n1 ZINC000488926134 393562317 /nfs/dbraw/zinc/56/23/17/393562317.db2.gz OXELGGKOCYDGPA-UHFFFAOYSA-N -1 3 292.379 3.018 20 0 CGADHM CC[C@H](C)C[C@H](C)[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000360887229 393606719 /nfs/dbraw/zinc/60/67/19/393606719.db2.gz IMKJUAGHRPEBNM-UWVGGRQHSA-N -1 3 291.363 3.068 20 0 CGADHM C[C@@H](CN(C)C(=O)/C=C\c1cncc([O-])c1)c1ccccc1 ZINC000492518238 393748164 /nfs/dbraw/zinc/74/81/64/393748164.db2.gz GKWIFYLVOIGQML-CKXPSTMWSA-N -1 3 296.370 3.063 20 0 CGADHM CCc1ccc([O-])c(C(=O)NCc2cccc(C)c2)c1 ZINC000500729933 393835885 /nfs/dbraw/zinc/83/58/85/393835885.db2.gz ADCQKWWRKLIKEK-UHFFFAOYSA-N -1 3 269.344 3.193 20 0 CGADHM CCCC[C@@H](CCC)C[N-]S(=O)(=O)c1ccco1 ZINC000445750686 393820343 /nfs/dbraw/zinc/82/03/43/393820343.db2.gz KYIGXXHGVUIMBI-GFCCVEGCSA-N -1 3 273.398 3.164 20 0 CGADHM Cc1cc(C(=O)N[C@@H]2[C@@H]3CCc4ccccc4[C@@H]32)ccc1[O-] ZINC000500296102 393823574 /nfs/dbraw/zinc/82/35/74/393823574.db2.gz INKUEAXKHKZRMD-BPQIPLTHSA-N -1 3 293.366 3.159 20 0 CGADHM CCc1ccc([O-])c(C(=O)N[C@H](C)c2ccccc2)c1 ZINC000500412496 393826721 /nfs/dbraw/zinc/82/67/21/393826721.db2.gz DALQIUUAMUMUMX-GFCCVEGCSA-N -1 3 269.344 3.446 20 0 CGADHM C[C@@H]1CCC[C@H]1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000504310403 393915488 /nfs/dbraw/zinc/91/54/88/393915488.db2.gz SSZXQKWOGXIUMZ-BXUZGUMPSA-N -1 3 279.355 3.159 20 0 CGADHM C[C@@H]1CC[C@]2(CCN(C(=O)Cc3ccc([O-])c(F)c3)C2)C1 ZINC000450526958 394010787 /nfs/dbraw/zinc/01/07/87/394010787.db2.gz XCDYHNPREWIFPT-PXAZEXFGSA-N -1 3 291.366 3.113 20 0 CGADHM CC[C@@H]1CCCC[C@H]1CNC(=O)Cc1ccc([O-])c(F)c1 ZINC000452423599 394059135 /nfs/dbraw/zinc/05/91/35/394059135.db2.gz POZSACGFNAKVPJ-KGLIPLIRSA-N -1 3 293.382 3.406 20 0 CGADHM C[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)C(C)(F)F ZINC000452459563 394065253 /nfs/dbraw/zinc/06/52/53/394065253.db2.gz PLGCIVJXNRFZAU-VIFPVBQESA-N -1 3 289.297 3.014 20 0 CGADHM CC[C@H]1CCC[C@@H]1CNC(=O)c1c[n-]c2ccccc2c1=O ZINC000452521461 394077475 /nfs/dbraw/zinc/07/74/75/394077475.db2.gz RTJFWCJZXOHTPG-QWHCGFSZSA-N -1 3 298.386 3.084 20 0 CGADHM CCc1ccc([O-])c(C(=O)NC[C@@H]2CCCC2(F)F)c1 ZINC000452829076 394126876 /nfs/dbraw/zinc/12/68/76/394126876.db2.gz BIXOBMLMUFLYNC-NSHDSACASA-N -1 3 283.318 3.120 20 0 CGADHM COc1cc(C(=O)N[C@@]2(C)CCCC[C@H]2C)ccc1[O-] ZINC000457274410 394339876 /nfs/dbraw/zinc/33/98/76/394339876.db2.gz VTJWAFKDIBKGDC-BZNIZROVSA-N -1 3 277.364 3.099 20 0 CGADHM Cc1ccc(C(=O)N2CC(C3CCCCC3)C2)c([O-])c1 ZINC000436729053 292049582 /nfs/dbraw/zinc/04/95/82/292049582.db2.gz POZFKEVTRDWBMJ-UHFFFAOYSA-N -1 3 273.376 3.353 20 0 CGADHM O=C(Cc1cncc([O-])c1)N1CCCCCc2ccccc21 ZINC000669267384 543098147 /nfs/dbraw/zinc/09/81/47/543098147.db2.gz UMLPMNFDDASYGF-UHFFFAOYSA-N -1 3 296.370 3.089 20 0 CGADHM CC1(C)SC[C@H]1[N-]c1nc(-c2ccccc2)no1 ZINC000669972785 543138031 /nfs/dbraw/zinc/13/80/31/543138031.db2.gz FNJTXDVTGBXKOA-SNVBAGLBSA-N -1 3 261.350 3.043 20 0 CGADHM O=C([O-])CCN(Cc1ccc(F)cc1Cl)CC1CC1 ZINC000671697965 543178231 /nfs/dbraw/zinc/17/82/31/543178231.db2.gz MXNRGYKGNYOQSY-UHFFFAOYSA-N -1 3 285.746 3.166 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2ccc3cnccc3c2)n1 ZINC000672776469 543227390 /nfs/dbraw/zinc/22/73/90/543227390.db2.gz IVXWZCNOHDHHCC-HWKANZROSA-N -1 3 263.300 3.209 20 0 CGADHM Cc1noc(C(F)F)c1C(=O)[N-]c1ccsc1 ZINC000673674744 543250672 /nfs/dbraw/zinc/25/06/72/543250672.db2.gz XXBCIEODGHJSGG-UHFFFAOYSA-N -1 3 258.249 3.234 20 0 CGADHM O=c1nc(-c2cncs2)[n-]c2sc3c(c21)CCC3 ZINC000674238426 543276438 /nfs/dbraw/zinc/27/64/38/543276438.db2.gz ALFBJMJKWVBBMU-UHFFFAOYSA-N -1 3 275.358 3.009 20 0 CGADHM [O-]c1cccc(CN[C@H]2CCC(F)(F)C2)c1Cl ZINC000393264724 397693589 /nfs/dbraw/zinc/69/35/89/397693589.db2.gz NLWKSULRZXEESS-VIFPVBQESA-N -1 3 261.699 3.323 20 0 CGADHM O=C(CCc1ccc2ccccc2c1[O-])N1CC(C2CC2)C1 ZINC000650203403 397800646 /nfs/dbraw/zinc/80/06/46/397800646.db2.gz IWFQDTQXEMYXLE-UHFFFAOYSA-N -1 3 295.382 3.346 20 0 CGADHM COc1cc(Cl)ccc1CN1CCCC[C@@H]1CC(=O)[O-] ZINC000650507038 397860670 /nfs/dbraw/zinc/86/06/70/397860670.db2.gz CKGYPCMIQMQHPW-CYBMUJFWSA-N -1 3 297.782 3.178 20 0 CGADHM C[C@@H]1CC[C@H](C(=O)[O-])N1Cc1ccc(C(C)(C)C)s1 ZINC000650795578 397921540 /nfs/dbraw/zinc/92/15/40/397921540.db2.gz ZJAODWPIGFDSAF-ZYHUDNBSSA-N -1 3 281.421 3.483 20 0 CGADHM C1=C[C@H](Sc2ccc(-c3nnn[n-]3)cc2)CCC1 ZINC000735401150 572719926 /nfs/dbraw/zinc/71/99/26/572719926.db2.gz XYCZUASMDUBENO-NSHDSACASA-N -1 3 258.350 3.068 20 0 CGADHM C1=C[C@H](Sc2ccc(-c3nn[n-]n3)cc2)CCC1 ZINC000735401150 572719931 /nfs/dbraw/zinc/71/99/31/572719931.db2.gz XYCZUASMDUBENO-NSHDSACASA-N -1 3 258.350 3.068 20 0 CGADHM CC(=O)c1cccc(NC(=O)CC2CCCC2)c1[O-] ZINC000552069967 289159276 /nfs/dbraw/zinc/15/92/76/289159276.db2.gz VDDMKRLHXFKZMF-UHFFFAOYSA-N -1 3 261.321 3.114 20 0 CGADHM Cc1noc(C)c1[N-]C(=O)c1cc(F)c(C)cc1F ZINC000675089563 543314776 /nfs/dbraw/zinc/31/47/76/543314776.db2.gz HFCYKAMSIRPWNU-UHFFFAOYSA-N -1 3 266.247 3.130 20 0 CGADHM CCc1cc(=O)[n-]c(CN2CC[C@H](C)[C@H]3CCCC[C@@H]32)n1 ZINC000675183337 543319921 /nfs/dbraw/zinc/31/99/21/543319921.db2.gz YTKFTNLOHUZYGG-CFVMTHIKSA-N -1 3 289.423 3.145 20 0 CGADHM OC[C@@H]([N-]c1nc(-c2ccccc2)no1)C1CCCCC1 ZINC000676351880 543393894 /nfs/dbraw/zinc/39/38/94/543393894.db2.gz UYRAVKQAASFKNU-CQSZACIVSA-N -1 3 287.363 3.090 20 0 CGADHM OC[C@H]([N-]c1nc(-c2ccccc2)no1)C1CCCCC1 ZINC000676351879 543394080 /nfs/dbraw/zinc/39/40/80/543394080.db2.gz UYRAVKQAASFKNU-AWEZNQCLSA-N -1 3 287.363 3.090 20 0 CGADHM COc1ccc(C(=O)N2CCC[C@@H](C(C)(C)C)C2)c([O-])c1 ZINC000436922299 286274275 /nfs/dbraw/zinc/27/42/75/286274275.db2.gz MPXWMTOOWUCVBD-GFCCVEGCSA-N -1 3 291.391 3.299 20 0 CGADHM Cc1cccc(C(=O)N2CCC[C@H]3CCC[C@@H]32)c1[O-] ZINC000087777660 292416250 /nfs/dbraw/zinc/41/62/50/292416250.db2.gz ZBMYYCWDYDTSSE-OCCSQVGLSA-N -1 3 259.349 3.105 20 0 CGADHM CCOc1ccc(NC(=O)c2cc(C)ccc2[O-])cc1F ZINC000059811439 286954493 /nfs/dbraw/zinc/95/44/93/286954493.db2.gz MXXDUXFECYFJDN-UHFFFAOYSA-N -1 3 289.306 3.491 20 0 CGADHM Cc1nc(C)c(C(=O)Nc2ccc(C)cc2[O-])s1 ZINC000073048714 287000935 /nfs/dbraw/zinc/00/09/35/287000935.db2.gz PIKSFJYUVAIGQU-UHFFFAOYSA-N -1 3 262.334 3.026 20 0 CGADHM COc1ccc([O-])c(C(=O)NC2CCC(C)(C)CC2)c1 ZINC000079679815 287059607 /nfs/dbraw/zinc/05/96/07/287059607.db2.gz ZVWSKLBXKQYSIB-UHFFFAOYSA-N -1 3 277.364 3.099 20 0 CGADHM CC[C@@H]1CCN1C(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000293866347 287090954 /nfs/dbraw/zinc/09/09/54/287090954.db2.gz CRFKYDBKWATWPT-LLVKDONJSA-N -1 3 288.322 3.012 20 0 CGADHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccnc(C)c2)c(C)c1 ZINC000074932135 165098543 /nfs/dbraw/zinc/09/85/43/165098543.db2.gz LCSUKEYKTKOGKS-UHFFFAOYSA-N -1 3 290.388 3.116 20 0 CGADHM Cc1ccc([O-])c(CN2C[C@@H](C)O[C@H](c3ccccc3)C2)n1 ZINC000092486202 165299136 /nfs/dbraw/zinc/29/91/36/165299136.db2.gz XWUDREJNFFJSCG-KDOFPFPSSA-N -1 3 298.386 3.058 20 0 CGADHM O=C([O-])[C@H](NCc1ccc(C2CC2)cc1)c1ccccc1 ZINC000094519633 165351851 /nfs/dbraw/zinc/35/18/51/165351851.db2.gz GEKRRAIGJUDLED-QGZVFWFLSA-N -1 3 281.355 3.480 20 0 CGADHM Cc1c(C(=O)Nc2ccc(C)cc2[O-])cnn1C(C)C ZINC000092210348 287110892 /nfs/dbraw/zinc/11/08/92/287110892.db2.gz KFEOLDZWISQBQA-UHFFFAOYSA-N -1 3 273.336 3.039 20 0 CGADHM COc1cccc(-c2nc(-c3ccccc3)no2)c1[O-] ZINC000111687260 287135933 /nfs/dbraw/zinc/13/59/33/287135933.db2.gz LGGWRFCQPVJFIW-UHFFFAOYSA-N -1 3 268.272 3.118 20 0 CGADHM Cc1cccc(-c2nc(Cc3cccc(F)c3)no2)c1[O-] ZINC000111688713 287136254 /nfs/dbraw/zinc/13/62/54/287136254.db2.gz SVUGPYPHWHFDSS-UHFFFAOYSA-N -1 3 284.290 3.481 20 0 CGADHM CN(Cc1ccc(Cl)c(F)c1)C(=O)c1ccccc1[O-] ZINC000123204721 287216737 /nfs/dbraw/zinc/21/67/37/287216737.db2.gz UYLPCMFCQZZFNQ-UHFFFAOYSA-N -1 3 293.725 3.457 20 0 CGADHM CC(C)(C)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000005379662 170091786 /nfs/dbraw/zinc/09/17/86/170091786.db2.gz YVNYXXBEOHUODD-UHFFFAOYSA-N -1 3 282.192 3.070 20 0 CGADHM Cc1cccc(C(=O)Nc2ccccc2-n2ccnc2)c1[O-] ZINC000124435393 287233321 /nfs/dbraw/zinc/23/33/21/287233321.db2.gz GRLSTLVWCOPJCL-UHFFFAOYSA-N -1 3 293.326 3.139 20 0 CGADHM CS[C@H](C)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000125263150 287242240 /nfs/dbraw/zinc/24/22/40/287242240.db2.gz NVNQYTSZSZGKQP-ZCFIWIBFSA-N -1 3 279.283 3.101 20 0 CGADHM CS[C@H](C)CC(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000125902135 287252758 /nfs/dbraw/zinc/25/27/58/287252758.db2.gz TYYFHBUQGYBRDZ-SSDOTTSWSA-N -1 3 293.310 3.491 20 0 CGADHM C[C@@H]1C[C@H](C)CCN(C(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000127889316 287298205 /nfs/dbraw/zinc/29/82/05/287298205.db2.gz FXRBFSZHSQAJAO-VXGBXAGGSA-N -1 3 294.370 3.109 20 0 CGADHM O=C(/C=C/c1c(F)cccc1F)Nc1cccc([O-])c1F ZINC000128207216 287305821 /nfs/dbraw/zinc/30/58/21/287305821.db2.gz RTMCNHBNCSJOFP-BQYQJAHWSA-N -1 3 293.244 3.461 20 0 CGADHM COC(=O)c1ccc(F)c(-c2cc([O-])cc(F)c2)c1 ZINC000065341112 175710502 /nfs/dbraw/zinc/71/05/02/175710502.db2.gz URJHIUSQUNSGOD-UHFFFAOYSA-N -1 3 264.227 3.124 20 0 CGADHM O=C([O-])CCCCCNCc1ccccc1Cl ZINC000071292961 176111219 /nfs/dbraw/zinc/11/12/19/176111219.db2.gz XSPWQPQFUWAGHM-UHFFFAOYSA-N -1 3 255.745 3.075 20 0 CGADHM O=C(Nc1cccc([O-])c1F)[C@H]1CSc2ccccc21 ZINC000128669451 287315993 /nfs/dbraw/zinc/31/59/93/287315993.db2.gz PJNPGKOIKUAQNS-JTQLQIEISA-N -1 3 289.331 3.359 20 0 CGADHM CCc1ccsc1C(=O)Nc1cccc([O-])c1F ZINC000129110595 287324450 /nfs/dbraw/zinc/32/44/50/287324450.db2.gz CGRNXMRQBGSUHO-UHFFFAOYSA-N -1 3 265.309 3.408 20 0 CGADHM O=C(Nc1cccc([O-])c1F)c1cc(F)c(F)cc1F ZINC000129196900 287326392 /nfs/dbraw/zinc/32/63/92/287326392.db2.gz KCOFDZPISYYPMS-UHFFFAOYSA-N -1 3 285.196 3.201 20 0 CGADHM CC[C@H](NCc1cc(Cl)sc1Cl)C(=O)[O-] ZINC000312714590 416533975 /nfs/dbraw/zinc/53/39/75/416533975.db2.gz ZRJWSANAWGQKOE-LURJTMIESA-N -1 3 268.165 3.008 20 0 CGADHM O=C([O-])[C@@H]1CN(CCCc2ccccc2)Cc2ccccc21 ZINC000316177842 416539117 /nfs/dbraw/zinc/53/91/17/416539117.db2.gz YKLYGRBAOWQIMX-GOSISDBHSA-N -1 3 295.382 3.303 20 0 CGADHM CCOc1cccc(C(=O)Nc2cccc([O-])c2F)c1 ZINC000129522096 287334150 /nfs/dbraw/zinc/33/41/50/287334150.db2.gz NPFQPCAOPKVUQB-UHFFFAOYSA-N -1 3 275.279 3.182 20 0 CGADHM Cc1cc(C(=O)NC[C@H]2CCc3ccccc3C2)ccc1[O-] ZINC000679408533 543636002 /nfs/dbraw/zinc/63/60/02/543636002.db2.gz IPLOXBDLVJGSQN-AWEZNQCLSA-N -1 3 295.382 3.236 20 0 CGADHM CCC[C@H]1SCCN1C(=O)Cc1ccc([O-])cc1Cl ZINC000130288757 287350695 /nfs/dbraw/zinc/35/06/95/287350695.db2.gz QACDOWSSTUIZEB-CQSZACIVSA-N -1 3 299.823 3.290 20 0 CGADHM CC1(NC(=O)c2ccccc2[O-])CCC(F)(F)CC1 ZINC000680047821 543679983 /nfs/dbraw/zinc/67/99/83/543679983.db2.gz RPYVWFMVZPUZLN-UHFFFAOYSA-N -1 3 269.291 3.090 20 0 CGADHM COc1cc(F)c([N-]C(=O)c2coc(C3CC3)n2)cc1F ZINC000681600697 543796217 /nfs/dbraw/zinc/79/62/17/543796217.db2.gz ICSTZBBZNLJHFH-UHFFFAOYSA-N -1 3 294.257 3.091 20 0 CGADHM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1ccncc1F ZINC000130860233 287365210 /nfs/dbraw/zinc/36/52/10/287365210.db2.gz UPINRRJBIQCHRZ-UHFFFAOYSA-N -1 3 297.289 3.436 20 0 CGADHM COc1ccc(NC(=O)[C@H](C)C2CCCC2)c([O-])c1 ZINC000682388422 543840009 /nfs/dbraw/zinc/84/00/09/543840009.db2.gz PJLHEIBPXSMBKX-SNVBAGLBSA-N -1 3 263.337 3.166 20 0 CGADHM CCC[C@H](C)[N-]S(=O)(=O)c1cc(C)c(Cl)s1 ZINC000682723297 543862990 /nfs/dbraw/zinc/86/29/90/543862990.db2.gz XOCDKJMMCDKAPT-QMMMGPOBSA-N -1 3 281.830 3.177 20 0 CGADHM Cc1nc(C(=O)[N-]c2nnc(C(C)(C)C)s2)sc1C ZINC000683540826 543923545 /nfs/dbraw/zinc/92/35/45/543923545.db2.gz OVTVQVMVJVSOKG-UHFFFAOYSA-N -1 3 296.421 3.161 20 0 CGADHM Cc1ccc([O-])c(NC(=O)C23CC(c4ccccc4)(C2)C3)n1 ZINC000683042454 543891919 /nfs/dbraw/zinc/89/19/19/543891919.db2.gz BOFNZMLTYDWVMZ-UHFFFAOYSA-N -1 3 294.354 3.156 20 0 CGADHM C[C@@H](NC(=O)c1cc([O-])ccc1C(F)(F)F)C1CCC1 ZINC000684468124 544004756 /nfs/dbraw/zinc/00/47/56/544004756.db2.gz OVEHFILVFZMVCG-MRVPVSSYSA-N -1 3 287.281 3.329 20 0 CGADHM O=C(Nc1ccc(Cl)cc1[O-])[C@H]1Cc2ccc(F)cc21 ZINC000684472010 544005811 /nfs/dbraw/zinc/00/58/11/544005811.db2.gz XVJFGTYSLMMKGG-LBPRGKRZSA-N -1 3 291.709 3.463 20 0 CGADHM CCn1ccc(CN(C)C(=O)c2cc([O-])ccc2Cl)c1 ZINC000685831872 544098737 /nfs/dbraw/zinc/09/87/37/544098737.db2.gz KEOZEGPAFGVBRW-UHFFFAOYSA-N -1 3 292.766 3.139 20 0 CGADHM FC(F)(F)c1nnc([N-]Cc2nccc3ccccc32)o1 ZINC000685915787 544108084 /nfs/dbraw/zinc/10/80/84/544108084.db2.gz TVKLCRXRXFLPFT-UHFFFAOYSA-N -1 3 294.236 3.249 20 0 CGADHM O=C(N[C@H](c1cccs1)C1CC1)c1cccc([O-])c1 ZINC000354887249 227205665 /nfs/dbraw/zinc/20/56/65/227205665.db2.gz QFMABPGBECXOFE-AWEZNQCLSA-N -1 3 273.357 3.335 20 0 CGADHM CC[C@]1(C)CCN([C@H](C)c2cc(C(=O)[O-])c(C)o2)C1 ZINC000652431659 418969139 /nfs/dbraw/zinc/96/91/39/418969139.db2.gz HCCBSIUHEVMNER-MEBBXXQBSA-N -1 3 265.353 3.469 20 0 CGADHM Cc1ccc(OC(F)F)c(CN2CCC[C@H]2CC(=O)[O-])c1 ZINC000652484411 418975092 /nfs/dbraw/zinc/97/50/92/418975092.db2.gz LVWGBVBPRIDIMN-LBPRGKRZSA-N -1 3 299.317 3.036 20 0 CGADHM CC(C)(CC(=O)[O-])NCc1ccc(Oc2ccccc2)o1 ZINC000653505436 419039938 /nfs/dbraw/zinc/03/99/38/419039938.db2.gz OCEPFPRMMXOHII-UHFFFAOYSA-N -1 3 289.331 3.415 20 0 CGADHM O=C([O-])[C@@H]1CN(Cc2ccc(F)cc2Cl)C[C@H]1C1CC1 ZINC000652515028 418978001 /nfs/dbraw/zinc/97/80/01/418978001.db2.gz LUTRLSXJPBNSDH-QWHCGFSZSA-N -1 3 297.757 3.022 20 0 CGADHM CC(C)(C)C[C@@H]1C[C@H]1NC(=O)c1c[n-]nc1-c1ccccn1 ZINC000652758263 418990459 /nfs/dbraw/zinc/99/04/59/418990459.db2.gz PCSIFYKTLJQXAM-SMDDNHRTSA-N -1 3 298.390 3.026 20 0 CGADHM Cc1cccc(NC(=O)NCc2ccc([O-])c(F)c2)c1C ZINC000151230443 287509620 /nfs/dbraw/zinc/50/96/20/287509620.db2.gz XODUXJJAPYIAGP-UHFFFAOYSA-N -1 3 288.322 3.470 20 0 CGADHM CC(C)(C)CN(CC(=O)[O-])Cc1cc(F)c(F)cc1F ZINC000665350428 419114177 /nfs/dbraw/zinc/11/41/77/419114177.db2.gz RUDHNGVKMFUGCR-UHFFFAOYSA-N -1 3 289.297 3.037 20 0 CGADHM CC(C)(C)O[C@H]1C[C@H](NCc2cccc([O-])c2Cl)C1 ZINC000655845281 419117112 /nfs/dbraw/zinc/11/71/12/419117112.db2.gz BGQIVCKHGXOZNO-HAQNSBGRSA-N -1 3 283.799 3.481 20 0 CGADHM CCc1cccc2cc(CN[C@@H](C(=O)[O-])C(C)C)oc21 ZINC000656564654 419183141 /nfs/dbraw/zinc/18/31/41/419183141.db2.gz TYJRAPCOZYQOLX-CQSZACIVSA-N -1 3 275.348 3.194 20 0 CGADHM CC(C)(NCc1cccc([O-])c1Br)C(F)F ZINC000656582726 419185921 /nfs/dbraw/zinc/18/59/21/419185921.db2.gz FATYITANRWVXDM-UHFFFAOYSA-N -1 3 294.139 3.288 20 0 CGADHM C[C@@H]1CC[C@@H](C(=O)[O-])CN1CCCc1c(F)cccc1F ZINC000655931140 419128244 /nfs/dbraw/zinc/12/82/44/419128244.db2.gz WKMITMYESLJSCO-VXGBXAGGSA-N -1 3 297.345 3.083 20 0 CGADHM O=C([O-])c1sccc1CN1CCC(C2CCC2)CC1 ZINC000656759019 419210396 /nfs/dbraw/zinc/21/03/96/419210396.db2.gz TWQDTHLPLFYHLC-UHFFFAOYSA-N -1 3 279.405 3.458 20 0 CGADHM CCCN(Cc1ccccc1F)CC1(CC(=O)[O-])CC1 ZINC000656764730 419212380 /nfs/dbraw/zinc/21/23/80/419212380.db2.gz DVENUNUUNARJJA-UHFFFAOYSA-N -1 3 279.355 3.293 20 0 CGADHM CCc1oc(C(=O)[O-])cc1CN1CCC[C@H](CCF)C1 ZINC000656763104 419212760 /nfs/dbraw/zinc/21/27/60/419212760.db2.gz LBTFQCIARSZOCB-LLVKDONJSA-N -1 3 283.343 3.112 20 0 CGADHM CC(C)(C)OCCCN1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@H]21 ZINC000656767512 419214228 /nfs/dbraw/zinc/21/42/28/419214228.db2.gz RZEMSWIYQBYWIB-QLFBSQMISA-N -1 3 297.439 3.157 20 0 CGADHM [O-]c1cccc(CN[C@]23C[C@H]2CCC3)c1Br ZINC000657550971 419302454 /nfs/dbraw/zinc/30/24/54/419302454.db2.gz GADYKNCJWJBGJP-ZWNOBZJWSA-N -1 3 282.181 3.187 20 0 CGADHM CC(C)(C)c1cc(COc2ccc3c([O-])coc3c2)no1 ZINC000664135417 419836497 /nfs/dbraw/zinc/83/64/97/419836497.db2.gz LGSLGVAQVBNABR-UHFFFAOYSA-N -1 3 287.315 3.126 20 0 CGADHM CCC(CC)N(CC(C)C)C(=O)c1ccc(O)cc1[O-] ZINC000225453568 287632907 /nfs/dbraw/zinc/63/29/07/287632907.db2.gz ZXDTUAXUZXIIJY-UHFFFAOYSA-N -1 3 279.380 3.385 20 0 CGADHM Cc1ccc(NC(=O)/C=C/c2ncccc2C)c([O-])c1 ZINC000186305494 260064630 /nfs/dbraw/zinc/06/46/30/260064630.db2.gz OSLUGXRGIQBJMV-BQYQJAHWSA-N -1 3 268.316 3.056 20 0 CGADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CC[C@@H](C)C2)sc1Cl ZINC000231808087 260227824 /nfs/dbraw/zinc/22/78/24/260227824.db2.gz VXJMJZHODZKIGD-VXNVDRBHSA-N -1 3 293.841 3.177 20 0 CGADHM CC(C)(COCc1ccccc1)NC(=O)c1ccccc1[O-] ZINC000390365106 262183938 /nfs/dbraw/zinc/18/39/38/262183938.db2.gz TWQLNVDBNNQFAZ-UHFFFAOYSA-N -1 3 299.370 3.117 20 0 CGADHM COc1cc(C)c(NC(=O)c2cc(C)ccc2[O-])cc1F ZINC000186027242 262311755 /nfs/dbraw/zinc/31/17/55/262311755.db2.gz BOEKSXYIPNCSOY-UHFFFAOYSA-N -1 3 289.306 3.409 20 0 CGADHM CC(C)C(C)(C)CNC(=O)Cc1ccc([O-])cc1Cl ZINC000189295691 264287642 /nfs/dbraw/zinc/28/76/42/264287642.db2.gz BBUWRNYELZGWNV-UHFFFAOYSA-N -1 3 283.799 3.387 20 0 CGADHM Cc1cccc(C(=O)N(C)C2CCCCCC2)c1[O-] ZINC000035175506 270027591 /nfs/dbraw/zinc/02/75/91/270027591.db2.gz YQBZYRWHIOJROF-UHFFFAOYSA-N -1 3 261.365 3.495 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C)c2)cc1 ZINC000103060672 270045387 /nfs/dbraw/zinc/04/53/87/270045387.db2.gz UQSRQXJMALSKGZ-UHFFFAOYSA-N -1 3 279.336 3.243 20 0 CGADHM CC(C)c1cccc(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000519199913 265363277 /nfs/dbraw/zinc/36/32/77/265363277.db2.gz KCENHVPFEYCHEN-UHFFFAOYSA-N -1 3 297.358 3.435 20 0 CGADHM CC(C)[C@@H]1C[C@H]1C(=O)Nc1cc(Br)ccc1[O-] ZINC000185623133 270063858 /nfs/dbraw/zinc/06/38/58/270063858.db2.gz PTLYUURKQZWWJM-VHSXEESVSA-N -1 3 298.180 3.385 20 0 CGADHM CC(C)[C@]1(C)C[C@@H]1C(=O)N1CCCc2cccc([O-])c21 ZINC000186625513 270066762 /nfs/dbraw/zinc/06/67/62/270066762.db2.gz GEFSEOHQYFUMEV-DYVFJYSZSA-N -1 3 273.376 3.354 20 0 CGADHM O=C([N-]c1cc(F)c(F)cc1F)c1cn2ccnc2s1 ZINC000188551602 270069481 /nfs/dbraw/zinc/06/94/81/270069481.db2.gz YWPGKTZQYQFHNP-UHFFFAOYSA-N -1 3 297.261 3.065 20 0 CGADHM Fc1cccc(Cl)c1C[N-]c1nnc(C(F)F)o1 ZINC000189294615 270071127 /nfs/dbraw/zinc/07/11/27/270071127.db2.gz YVIJUHTVDKIBGK-UHFFFAOYSA-N -1 3 277.633 3.412 20 0 CGADHM Cc1cccc([O-])c1NC(=O)[C@H]1CCCc2c(O)cccc21 ZINC000190964284 270074338 /nfs/dbraw/zinc/07/43/38/270074338.db2.gz KMMOFWPVWNBVOA-AWEZNQCLSA-N -1 3 297.354 3.465 20 0 CGADHM Cc1cc(CN2CCC3(C2)CCCCC3)oc1C(=O)[O-] ZINC000312456708 270092470 /nfs/dbraw/zinc/09/24/70/270092470.db2.gz DDNHVSPTDHRWDU-UHFFFAOYSA-N -1 3 277.364 3.442 20 0 CGADHM C[C@H](C(=O)[N-][C@@H](C(C)(C)C)C(F)(F)F)C(F)(F)F ZINC000524772075 270115053 /nfs/dbraw/zinc/11/50/53/270115053.db2.gz MPEBCNWZEHYJSK-VDTYLAMSSA-N -1 3 279.224 3.278 20 0 CGADHM O=C(Nc1ncccc1[O-])c1cccc(C2CCC2)c1 ZINC000527213548 270126982 /nfs/dbraw/zinc/12/69/82/270126982.db2.gz ZELPGGWSHPCJLC-UHFFFAOYSA-N -1 3 268.316 3.307 20 0 CGADHM Cc1cc(C(=O)N[C@H]2CCCc3c(O)cccc32)ccc1[O-] ZINC000360331048 266706576 /nfs/dbraw/zinc/70/65/76/266706576.db2.gz YLLVHMSPEXTISL-HNNXBMFYSA-N -1 3 297.354 3.214 20 0 CGADHM CCC(NC(=O)c1ccc([O-])c(OC)c1)(C1CC1)C1CC1 ZINC000529795601 270188480 /nfs/dbraw/zinc/18/84/80/270188480.db2.gz IJGPFBUQVRKYRL-UHFFFAOYSA-N -1 3 289.375 3.099 20 0 CGADHM C[C@@H](CN(C)C(=O)Cc1cncc([O-])c1)C1CCCCC1 ZINC000530035802 270193411 /nfs/dbraw/zinc/19/34/11/270193411.db2.gz AXELMHCHYPFTNR-ZDUSSCGKSA-N -1 3 290.407 3.005 20 0 CGADHM CC(C)C[C@H](C)N1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC000530168614 270195246 /nfs/dbraw/zinc/19/52/46/270195246.db2.gz KQTCVZZMZQBUPW-NSHDSACASA-N -1 3 279.355 3.317 20 0 CGADHM O=C([O-])[C@H]1c2ccoc2CCN1CC/C=C/c1ccccc1 ZINC000530166485 270195352 /nfs/dbraw/zinc/19/53/52/270195352.db2.gz NOKNQBMPAYIVTA-IOMDMTNGSA-N -1 3 297.354 3.367 20 0 CGADHM Cc1cccc(CCCN2CCc3occc3[C@@H]2C(=O)[O-])c1 ZINC000530166419 270195418 /nfs/dbraw/zinc/19/54/18/270195418.db2.gz MNXSECFTBMGBEN-QGZVFWFLSA-N -1 3 299.370 3.205 20 0 CGADHM CCC(CC)C(=O)N=c1[nH][n-]c(C)c1-c1ccccc1F ZINC000530273601 270198082 /nfs/dbraw/zinc/19/80/82/270198082.db2.gz ANRVPXNCKZOLSP-UHFFFAOYSA-N -1 3 289.354 3.321 20 0 CGADHM O=c1[n-]c(-c2ccc(Cl)cn2)nc2ccc(F)cc12 ZINC000531265095 270205730 /nfs/dbraw/zinc/20/57/30/270205730.db2.gz OCDKVIHQDANAPX-UHFFFAOYSA-N -1 3 275.670 3.190 20 0 CGADHM CCc1cccc(C(=O)N2CC[C@H](C(C)C)C2)c1[O-] ZINC000531774948 270209749 /nfs/dbraw/zinc/20/97/49/270209749.db2.gz ITBBPWUAQZSYGC-ZDUSSCGKSA-N -1 3 261.365 3.073 20 0 CGADHM Cc1ccc([O-])c(C(=O)NCCc2cc3ccccc3[nH]2)c1 ZINC000532773123 270219355 /nfs/dbraw/zinc/21/93/55/270219355.db2.gz HNHQXYTYIQSNFC-UHFFFAOYSA-N -1 3 294.354 3.154 20 0 CGADHM C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccccc1[O-] ZINC000246860930 287723184 /nfs/dbraw/zinc/72/31/84/287723184.db2.gz VTSQWBHTKQQSGH-YRGRVCCFSA-N -1 3 259.349 3.185 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)/C=C\c2cccnc2)c1[O-] ZINC000255543257 287871174 /nfs/dbraw/zinc/87/11/74/287871174.db2.gz MIMRTAOTDXFYMY-PLNGDYQASA-N -1 3 288.734 3.401 20 0 CGADHM CCCC1(CNC(=O)c2cccc(OC)c2[O-])CCC1 ZINC000392211966 287995191 /nfs/dbraw/zinc/99/51/91/287995191.db2.gz OOXGMAKSURQXMH-UHFFFAOYSA-N -1 3 277.364 3.101 20 0 CGADHM CC(C)c1ccc(C(=O)N2C[C@H]3CCC[C@@H]3C2)c([O-])c1 ZINC000268103090 278029713 /nfs/dbraw/zinc/02/97/13/278029713.db2.gz BOZWBDQIRZDVJE-ZIAGYGMSSA-N -1 3 273.376 3.388 20 0 CGADHM C[C@H](C(=O)N1CC[C@@H](C)c2cccc([O-])c21)C(F)(F)F ZINC000335272529 278142843 /nfs/dbraw/zinc/14/28/43/278142843.db2.gz HKYHBIRDJFIGDS-RKDXNWHRSA-N -1 3 287.281 3.431 20 0 CGADHM CC1(C)CN(C(=O)c2cccc([O-])c2)[C@H]2CCC[C@@H]21 ZINC000294557739 278324413 /nfs/dbraw/zinc/32/44/13/278324413.db2.gz DLYDCRZMNCSBPJ-KBPBESRZSA-N -1 3 259.349 3.043 20 0 CGADHM C[C@H]1CCN(C(=O)C2[C@@H]3CCC[C@H]23)c2c([O-])cccc21 ZINC000186261091 278357497 /nfs/dbraw/zinc/35/74/97/278357497.db2.gz CXWZRHJTZAREII-ZOKQIPHBSA-N -1 3 271.360 3.279 20 0 CGADHM CC(=O)c1ccc(NCc2cc(=O)[n-]c(C3CC3)n2)cc1C ZINC000417023058 288059982 /nfs/dbraw/zinc/05/99/82/288059982.db2.gz IGDIQYNMHJJPIH-UHFFFAOYSA-N -1 3 297.358 3.183 20 0 CGADHM Cc1cc(Br)oc1C(=O)[N-]c1c(C)noc1C ZINC000299532329 278628120 /nfs/dbraw/zinc/62/81/20/278628120.db2.gz QZZUPHJTZZLVET-UHFFFAOYSA-N -1 3 299.124 3.208 20 0 CGADHM CCC[C@H]1[C@H](C)CCCN1C(=O)c1cccc([O-])c1 ZINC000357370967 278964267 /nfs/dbraw/zinc/96/42/67/278964267.db2.gz KIWXOEHBURPBQK-DOMZBBRYSA-N -1 3 261.365 3.433 20 0 CGADHM CCC[C@@H]1CCCC[C@H]1NC(=O)c1cccc2nn[n-]c21 ZINC000526114977 288149651 /nfs/dbraw/zinc/14/96/51/288149651.db2.gz VVHNFIHHNIQFTD-DGCLKSJQSA-N -1 3 286.379 3.047 20 0 CGADHM CCC[C@@H]1CCCC[C@H]1NC(=O)c1cccc2[n-]nnc21 ZINC000526114977 288149653 /nfs/dbraw/zinc/14/96/53/288149653.db2.gz VVHNFIHHNIQFTD-DGCLKSJQSA-N -1 3 286.379 3.047 20 0 CGADHM CCC[C@@H]1CCCC[C@H]1NC(=O)c1cccc2n[n-]nc21 ZINC000526114977 288149655 /nfs/dbraw/zinc/14/96/55/288149655.db2.gz VVHNFIHHNIQFTD-DGCLKSJQSA-N -1 3 286.379 3.047 20 0 CGADHM COc1ccc([O-])c(C(=O)NC[C@H](C)c2cccc(C)c2)c1 ZINC000525485320 288146736 /nfs/dbraw/zinc/14/67/36/288146736.db2.gz CIKPIIYUSLTBAE-ZDUSSCGKSA-N -1 3 299.370 3.243 20 0 CGADHM O=C(Nc1ccc(F)cn1)c1cc2c(cc1[O-])CCCC2 ZINC000436495830 280019498 /nfs/dbraw/zinc/01/94/98/280019498.db2.gz YLHAJRSTCFICKT-UHFFFAOYSA-N -1 3 286.306 3.057 20 0 CGADHM C[C@@H](C1CC1)N(C)C(=O)c1cc([O-])cc(Br)c1 ZINC000527788919 288194425 /nfs/dbraw/zinc/19/44/25/288194425.db2.gz WZWZFNHDSSNTBM-QMMMGPOBSA-N -1 3 298.180 3.025 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N[C@@H](c2ccccn2)C2CCC2)n1 ZINC000528660073 288212198 /nfs/dbraw/zinc/21/21/98/288212198.db2.gz PMWFPPISQFNEMW-BLLLJJGKSA-N -1 3 298.390 3.078 20 0 CGADHM Cc1cocc1C(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000529053427 288230480 /nfs/dbraw/zinc/23/04/80/288230480.db2.gz FJIPAGAIFAUCJJ-SNVBAGLBSA-N -1 3 271.316 3.448 20 0 CGADHM C[C@@H]1CCN(C(=O)c2cnn(C3CC3)c2)c2c([O-])cccc21 ZINC000529056512 288231164 /nfs/dbraw/zinc/23/11/64/288231164.db2.gz OLXIRCASUGZNFV-LLVKDONJSA-N -1 3 297.358 3.078 20 0 CGADHM O=c1[n-]c(-c2cscn2)nc2cc(Cl)ccc12 ZINC000432506712 280455173 /nfs/dbraw/zinc/45/51/73/280455173.db2.gz WNCUNQTWXSSDOI-UHFFFAOYSA-N -1 3 263.709 3.112 20 0 CGADHM CC(C)c1ccc(C(=O)N2CCC23CCC3)c([O-])c1 ZINC000336625513 280591633 /nfs/dbraw/zinc/59/16/33/280591633.db2.gz CHHVVWPZMHNOJL-UHFFFAOYSA-N -1 3 259.349 3.284 20 0 CGADHM C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)N1Cc1cccc(Cl)c1 ZINC000530177024 288294873 /nfs/dbraw/zinc/29/48/73/288294873.db2.gz WCOIPMJYGWGIGY-PTEHBNRSSA-N -1 3 281.783 3.414 20 0 CGADHM CC[C@H]1c2ccsc2CCN1C(=O)c1csc(=O)[n-]1 ZINC000336408532 281281338 /nfs/dbraw/zinc/28/13/38/281281338.db2.gz MQJCQWDZQDGUNC-JTQLQIEISA-N -1 3 294.401 3.060 20 0 CGADHM CCc1cccc(C(=O)N[C@H](C)CCc2ccco2)c1[O-] ZINC000530959699 288320672 /nfs/dbraw/zinc/32/06/72/288320672.db2.gz BYXNKLWISZBGFC-GFCCVEGCSA-N -1 3 287.359 3.299 20 0 CGADHM CC[C@@](C)([N-]C(=O)[C@@H](C)C(F)(F)F)C(F)(F)F ZINC000531093668 288329053 /nfs/dbraw/zinc/32/90/53/288329053.db2.gz UNTXUJBMMUBHDZ-IYSWYEEDSA-N -1 3 265.197 3.032 20 0 CGADHM C[C@H](Oc1ccc(F)cc1)C(=O)Nc1cccc([O-])c1F ZINC000536463574 288481783 /nfs/dbraw/zinc/48/17/83/288481783.db2.gz QVZYJLYWZYFYDD-VIFPVBQESA-N -1 3 293.269 3.076 20 0 CGADHM CCc1ccc([O-])c(C(=O)N([C@H](C)C2CC2)C2CC2)c1 ZINC000546706617 288936476 /nfs/dbraw/zinc/93/64/76/288936476.db2.gz NSPFQQMNIFYLDP-LLVKDONJSA-N -1 3 273.376 3.358 20 0 CGADHM CCc1cccc(-c2nc([C@H]3CCO[C@H](C)C3)no2)c1[O-] ZINC000547213007 288952613 /nfs/dbraw/zinc/95/26/13/288952613.db2.gz LRPCXHGSSNOBCI-PWSUYJOCSA-N -1 3 288.347 3.287 20 0 CGADHM Cc1cccc(C(=O)Nc2cccc3cc[nH]c32)c1[O-] ZINC000547498563 288964839 /nfs/dbraw/zinc/96/48/39/288964839.db2.gz UFFSNFZOZFNQOO-UHFFFAOYSA-N -1 3 266.300 3.434 20 0 CGADHM Cc1ncc(CN[C@@H](C)c2cccc(C3CC3)c2)c(=O)[n-]1 ZINC000550785462 289084046 /nfs/dbraw/zinc/08/40/46/289084046.db2.gz UPDKXXOFSDZRKZ-NSHDSACASA-N -1 3 283.375 3.219 20 0 CGADHM CC(=O)c1cccc(NC(=O)[C@H]2CCC[C@@H](C)C2)c1[O-] ZINC000552285739 289178905 /nfs/dbraw/zinc/17/89/05/289178905.db2.gz AYJJHVYGWBGPOQ-PWSUYJOCSA-N -1 3 275.348 3.360 20 0 CGADHM O=C([N-]c1nnc(C2CC2)s1)c1csc(C2CC2)n1 ZINC000554547855 289290960 /nfs/dbraw/zinc/29/09/60/289290960.db2.gz OSAIWXOAOCKEBM-UHFFFAOYSA-N -1 3 292.389 3.002 20 0 CGADHM C[C@@H]1CCC[C@H](CNC(=O)c2c[n-]nc2-c2ccccn2)C1 ZINC000554993282 289322522 /nfs/dbraw/zinc/32/25/22/289322522.db2.gz WUSMZARSMMGJOK-OLZOCXBDSA-N -1 3 298.390 3.028 20 0 CGADHM O=C([N-]c1ccc(Cl)cc1)c1nc(-c2ccco2)no1 ZINC000559971216 289564404 /nfs/dbraw/zinc/56/44/04/289564404.db2.gz NLPNYRQKVCQQJD-UHFFFAOYSA-N -1 3 289.678 3.235 20 0 CGADHM Cc1sc2[n-]c(-c3cc(C)ccn3)nc(=O)c2c1C ZINC000349286172 294079698 /nfs/dbraw/zinc/07/96/98/294079698.db2.gz NWPUXGROWSJOEU-UHFFFAOYSA-N -1 3 271.345 3.384 20 0 CGADHM C[C@H]1CCCN1[C@@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000583029685 329304868 /nfs/dbraw/zinc/30/48/68/329304868.db2.gz AOTRPTBIRFKXAF-QPUJVOFHSA-N -1 3 271.719 3.089 20 0 CGADHM CC1(C)CCC(C(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC000152988096 321711069 /nfs/dbraw/zinc/71/10/69/321711069.db2.gz NCSQCSGFWVUJQZ-UHFFFAOYSA-N -1 3 279.355 3.364 20 0 CGADHM Cc1cccc(S(=O)(=O)[N-]C2(C)CCCCC2)c1F ZINC000313219091 321959186 /nfs/dbraw/zinc/95/91/86/321959186.db2.gz OOXLVPKFNPAZCC-UHFFFAOYSA-N -1 3 285.384 3.135 20 0 CGADHM C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)Cc1cncc([O-])c1 ZINC000564738183 322040863 /nfs/dbraw/zinc/04/08/63/322040863.db2.gz ZMLFAFLQQAPDJG-TZMCWYRMSA-N -1 3 290.407 3.003 20 0 CGADHM CCc1cccc(C(=O)N(CC)[C@@H](C)C(C)C)c1[O-] ZINC000565197237 322066086 /nfs/dbraw/zinc/06/60/86/322066086.db2.gz WAPLEPIVVTVSAF-LBPRGKRZSA-N -1 3 263.381 3.461 20 0 CGADHM Cc1cc([C@@H](C)N2CC[C@H](OCC(C)C)C2)oc1C(=O)[O-] ZINC000565426595 322077315 /nfs/dbraw/zinc/07/73/15/322077315.db2.gz LWOCSPUAHBFVLD-OLZOCXBDSA-N -1 3 295.379 3.094 20 0 CGADHM CC[C@@H]1CCC[C@@H](NC(=O)c2c[n-]nc2-c2ccccn2)C1 ZINC000565628803 322084872 /nfs/dbraw/zinc/08/48/72/322084872.db2.gz AHUFELFIIZCAMA-CHWSQXEVSA-N -1 3 298.390 3.170 20 0 CGADHM CCc1cc(C(=O)N2CCc3ccccc3CC2)ccc1[O-] ZINC000566044774 322101837 /nfs/dbraw/zinc/10/18/37/322101837.db2.gz BTQVTOSNZKUSCB-UHFFFAOYSA-N -1 3 295.382 3.196 20 0 CGADHM CCOC[C@H]1CCCN([C@@H](C)c2cc(C)c(C(=O)[O-])o2)C1 ZINC000566359037 322117793 /nfs/dbraw/zinc/11/77/93/322117793.db2.gz OMFOTFUNFCQDSD-STQMWFEESA-N -1 3 295.379 3.096 20 0 CGADHM Cc1ccc(C[C@H](C)N(C)Cc2ccc(C(=O)[O-])cn2)cc1 ZINC000566362979 322119197 /nfs/dbraw/zinc/11/91/97/322119197.db2.gz XXZJQDNMNVUERB-AWEZNQCLSA-N -1 3 298.386 3.151 20 0 CGADHM CCc1cc(C(=O)N[C@H]2COc3ccc(C)cc32)ccc1[O-] ZINC000566891150 322142013 /nfs/dbraw/zinc/14/20/13/322142013.db2.gz OPAVMBFIDQZOFT-HNNXBMFYSA-N -1 3 297.354 3.127 20 0 CGADHM CCN(Cc1ncccc1[O-])[C@H](C)c1cccc(O)c1 ZINC000567398732 322161891 /nfs/dbraw/zinc/16/18/91/322161891.db2.gz LVWMGIXURCXSNL-GFCCVEGCSA-N -1 3 272.348 3.076 20 0 CGADHM CN(Cc1c(Cl)cccc1C(=O)[O-])C1CCC1 ZINC000568061346 322190600 /nfs/dbraw/zinc/19/06/00/322190600.db2.gz COWVFJVVBOFJBQ-UHFFFAOYSA-N -1 3 253.729 3.023 20 0 CGADHM C[C@@H]1CCSCCN1Cc1cc(C(=O)[O-])ccc1Cl ZINC000568066141 322191866 /nfs/dbraw/zinc/19/18/66/322191866.db2.gz QSZUNPHIKUWTOV-SNVBAGLBSA-N -1 3 299.823 3.366 20 0 CGADHM COc1cccc(Cl)c1CN([C@H](C)C(=O)[O-])C1CCC1 ZINC000568292792 322204058 /nfs/dbraw/zinc/20/40/58/322204058.db2.gz WILXHUOMADCLGK-SNVBAGLBSA-N -1 3 297.782 3.176 20 0 CGADHM Cc1ccc([O-])c(-c2nc(-c3ccc(O)c(C)c3)no2)c1 ZINC000568715561 322219612 /nfs/dbraw/zinc/21/96/12/322219612.db2.gz PLXBJXOAWKFDFJ-UHFFFAOYSA-N -1 3 282.299 3.432 20 0 CGADHM CC1CCC(CNC(=O)c2c[n-]nc2-c2ccccn2)CC1 ZINC000569158247 322237195 /nfs/dbraw/zinc/23/71/95/322237195.db2.gz KIFFIODLWBGIOD-UHFFFAOYSA-N -1 3 298.390 3.028 20 0 CGADHM [O-]c1cccnc1CN1CC[C@H](c2cccc(Cl)c2)C1 ZINC000569367323 322245253 /nfs/dbraw/zinc/24/52/53/322245253.db2.gz VWDCXGKALYCBOW-ZDUSSCGKSA-N -1 3 288.778 3.430 20 0 CGADHM [O-]c1cccnc1CN1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000569367322 322245481 /nfs/dbraw/zinc/24/54/81/322245481.db2.gz VWDCXGKALYCBOW-CYBMUJFWSA-N -1 3 288.778 3.430 20 0 CGADHM Cc1ccc(OC(F)F)c(CN2CCCC[C@H]2C(=O)[O-])c1 ZINC000569700957 322254822 /nfs/dbraw/zinc/25/48/22/322254822.db2.gz OGEXPFPMFGARKV-LBPRGKRZSA-N -1 3 299.317 3.036 20 0 CGADHM CC(C)(C)C1CC(NC(=O)c2c[n-]nc2-c2ccccn2)C1 ZINC000571550340 322301687 /nfs/dbraw/zinc/30/16/87/322301687.db2.gz HDLFUGHZLKZCFX-UHFFFAOYSA-N -1 3 298.390 3.026 20 0 CGADHM Cc1oc(CN2CC[C@H](Cc3ccccc3)C2)cc1C(=O)[O-] ZINC000572007484 322315645 /nfs/dbraw/zinc/31/56/45/322315645.db2.gz KBJUURJRACQEML-OAHLLOKOSA-N -1 3 299.370 3.351 20 0 CGADHM O=C([O-])c1occc1CN1CCC[C@H]1c1ccccc1 ZINC000572413576 322336100 /nfs/dbraw/zinc/33/61/00/322336100.db2.gz JURDLHUDHUXCNC-AWEZNQCLSA-N -1 3 271.316 3.315 20 0 CGADHM CO[C@H]1CCN([C@@H](C)c2cc(C)c(C(=O)[O-])o2)CC1(C)C ZINC000572975869 322364177 /nfs/dbraw/zinc/36/41/77/322364177.db2.gz FVQHQXFQCKTOEM-AAEUAGOBSA-N -1 3 295.379 3.094 20 0 CGADHM Cc1c2ccccc2nc(CN2CCC(C)(C)C2)c1C(=O)[O-] ZINC000573331018 322382464 /nfs/dbraw/zinc/38/24/64/322382464.db2.gz IVYOUVWJLJGOTC-UHFFFAOYSA-N -1 3 298.386 3.473 20 0 CGADHM CCc1ccc(CN(C)Cc2ccoc2C(=O)[O-])cc1 ZINC000577226330 327100864 /nfs/dbraw/zinc/10/08/64/327100864.db2.gz HAJCNDVAGAPTRG-UHFFFAOYSA-N -1 3 273.332 3.172 20 0 CGADHM O=C(CCc1cc(F)ccc1F)Nc1cc(F)ccc1[O-] ZINC000174869307 335167932 /nfs/dbraw/zinc/16/79/32/335167932.db2.gz JYOJWPIUAPMAHV-UHFFFAOYSA-N -1 3 295.260 3.381 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])c1ccc(Cl)o1 ZINC000174902943 335169275 /nfs/dbraw/zinc/16/92/75/335169275.db2.gz KGGSURQKSGZWDK-UHFFFAOYSA-N -1 3 255.632 3.030 20 0 CGADHM C[C@H]1CC[C@H](C(=O)Nc2c([O-])cccc2Cl)C1 ZINC000576528661 335215847 /nfs/dbraw/zinc/21/58/47/335215847.db2.gz ANLXJYJWKVDBPE-IUCAKERBSA-N -1 3 253.729 3.420 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N2C[C@H](c3ccccc3)C[C@@H]2C)n1 ZINC000192593302 335280455 /nfs/dbraw/zinc/28/04/55/335280455.db2.gz KZVJOWGEQRBSBZ-OFQRWUPVSA-N -1 3 297.402 3.430 20 0 CGADHM Cc1cc(CNCc2ccc([O-])c(F)c2)cs1 ZINC000381206037 336054808 /nfs/dbraw/zinc/05/48/08/336054808.db2.gz NKUOLABBYYKUHF-UHFFFAOYSA-N -1 3 251.326 3.191 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2ccccc2-n2cccn2)c1 ZINC000195611359 336057368 /nfs/dbraw/zinc/05/73/68/336057368.db2.gz VUZUTWCERBIWKF-UHFFFAOYSA-N -1 3 293.326 3.139 20 0 CGADHM C[C@@H](CCC(C)(C)C)NC(=O)N=c1cc2ccccn2[n-]1 ZINC000581507182 336091669 /nfs/dbraw/zinc/09/16/69/336091669.db2.gz FGGZFFPMBPUSCU-LBPRGKRZSA-N -1 3 288.395 3.093 20 0 CGADHM O=C([O-])[C@H](c1ccccc1)N1CC=C(C(F)(F)F)CC1 ZINC000382500372 336091818 /nfs/dbraw/zinc/09/18/18/336091818.db2.gz OZABIMWYXOBYMM-LBPRGKRZSA-N -1 3 285.265 3.007 20 0 CGADHM Cc1ccc([C@H]2CCN(c3ccncc3C(=O)[O-])C2)cc1 ZINC000581551004 336101311 /nfs/dbraw/zinc/10/13/11/336101311.db2.gz XNFYEEGLMMYBQQ-AWEZNQCLSA-N -1 3 282.343 3.082 20 0 CGADHM CCC(C)(C)[C@H]1CCCN1Cc1nc(C(=O)[O-])cs1 ZINC000581613134 336112523 /nfs/dbraw/zinc/11/25/23/336112523.db2.gz SDZFNOSUBVRLJM-LLVKDONJSA-N -1 3 282.409 3.242 20 0 CGADHM CN(C(=O)Cc1cncc([O-])c1)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000581953917 336178701 /nfs/dbraw/zinc/17/87/01/336178701.db2.gz CGMJEJBCAIYNMG-HUUCEWRRSA-N -1 3 290.407 3.003 20 0 CGADHM Cc1ccc(CC[C@H](C)NC(=O)c2ccc(C)cc2[O-])o1 ZINC000436581834 533826992 /nfs/dbraw/zinc/82/69/92/533826992.db2.gz GCKMYQCZCHUFMS-LBPRGKRZSA-N -1 3 287.359 3.353 20 0 CGADHM COc1ccccc1/C=C/CN[C@H](C(=O)[O-])c1ccccc1 ZINC000426765404 533948919 /nfs/dbraw/zinc/94/89/19/533948919.db2.gz NPZVOCLRACVBTG-ZBZNSMLMSA-N -1 3 297.354 3.124 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N[C@H](c2ccccc2)C2CC2)n1 ZINC000192767160 534019173 /nfs/dbraw/zinc/01/91/73/534019173.db2.gz OIOFKCBTDHMLAU-BLLLJJGKSA-N -1 3 283.375 3.293 20 0 CGADHM COc1ccc(NC(=O)c2ccc(C)c(C)c2[O-])cc1F ZINC000436593559 534170775 /nfs/dbraw/zinc/17/07/75/534170775.db2.gz CQXPZZOLDXZCTQ-UHFFFAOYSA-N -1 3 289.306 3.409 20 0 CGADHM COc1ccc([O-])c(C(=O)N2CCC(C)(C(C)C)CC2)c1 ZINC000190324125 534195580 /nfs/dbraw/zinc/19/55/80/534195580.db2.gz DJQRLRKFAFMONI-UHFFFAOYSA-N -1 3 291.391 3.299 20 0 CGADHM O=C([O-])CC1(CNCc2ccc(F)cc2Cl)CCC1 ZINC000426638421 534487036 /nfs/dbraw/zinc/48/70/36/534487036.db2.gz QLVYKVVNWYILJV-UHFFFAOYSA-N -1 3 285.746 3.214 20 0 CGADHM O=C([O-])Cc1ccccc1CNCc1coc2ccccc12 ZINC000426691586 534507576 /nfs/dbraw/zinc/50/75/76/534507576.db2.gz JHKHRGLGBDMLOO-UHFFFAOYSA-N -1 3 295.338 3.350 20 0 CGADHM O=C([O-])[C@@H](NC/C=C/c1ccc(F)cc1)c1ccsc1 ZINC000426795010 534513468 /nfs/dbraw/zinc/51/34/68/534513468.db2.gz WLHLCSDIUJQQGI-YUKKFKLSSA-N -1 3 291.347 3.316 20 0 CGADHM O=C([O-])[C@@H](NCc1cccc(Cl)c1)c1cccc(F)c1 ZINC000426793914 534515662 /nfs/dbraw/zinc/51/56/62/534515662.db2.gz RUZISAYCTSLEDF-AWEZNQCLSA-N -1 3 293.725 3.395 20 0 CGADHM Cc1cccc(C(=O)N(C)Cc2c(F)cccc2F)c1[O-] ZINC000436667172 534584673 /nfs/dbraw/zinc/58/46/73/534584673.db2.gz TUEOCQODMSFGNN-UHFFFAOYSA-N -1 3 291.297 3.251 20 0 CGADHM Cc1cccc(C(=O)NC2(c3ccccc3F)CC2)c1[O-] ZINC000436525828 534601058 /nfs/dbraw/zinc/60/10/58/534601058.db2.gz BSLSNIOCIRZLCN-UHFFFAOYSA-N -1 3 285.318 3.259 20 0 CGADHM CCc1ncc(C(=O)Nc2cc(Cl)ccc2[O-])s1 ZINC000049175896 522547393 /nfs/dbraw/zinc/54/73/93/522547393.db2.gz DNMUODBAZVSWPL-UHFFFAOYSA-N -1 3 282.752 3.317 20 0 CGADHM CN(CCCC(=O)[O-])Cc1cccc(Cl)c1Cl ZINC000083662477 522722928 /nfs/dbraw/zinc/72/29/28/522722928.db2.gz IQWQPWNRUUCTRT-UHFFFAOYSA-N -1 3 276.163 3.290 20 0 CGADHM Cc1cccc(C)c1CNCc1ccc(C(=O)[O-])cc1 ZINC000426713052 534666432 /nfs/dbraw/zinc/66/64/32/534666432.db2.gz AUASSZQAQBSPAU-UHFFFAOYSA-N -1 3 269.344 3.291 20 0 CGADHM Cc1cccc(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)n1 ZINC000436774724 534746044 /nfs/dbraw/zinc/74/60/44/534746044.db2.gz CBTHARFJOSQIFO-UHFFFAOYSA-N -1 3 298.342 3.061 20 0 CGADHM C[C@@H]1C[C@@H](C(=O)[O-])CN(Cc2ccc(F)c(Cl)c2)C1 ZINC000263100390 525195448 /nfs/dbraw/zinc/19/54/48/525195448.db2.gz WORIVTIDFAQWJF-MWLCHTKSSA-N -1 3 285.746 3.022 20 0 CGADHM CC(C)(C)c1ccc(S(=O)(=O)[N-][C@@H]2C=CCCC2)s1 ZINC000438958014 526789060 /nfs/dbraw/zinc/78/90/60/526789060.db2.gz KXEGRZUISSLLGU-LLVKDONJSA-N -1 3 299.461 3.433 20 0 CGADHM CC(C)(C)c1ccncc1CNC(=O)c1cccc([O-])c1 ZINC000413939746 526811563 /nfs/dbraw/zinc/81/15/63/526811563.db2.gz QEAQLDBFJXQCTC-UHFFFAOYSA-N -1 3 284.359 3.015 20 0 CGADHM CC(=O)c1cc(NC(=O)c2ccc(C)cc2[O-])ccc1F ZINC000436859532 527216371 /nfs/dbraw/zinc/21/63/71/527216371.db2.gz YHTGKCWTTCVRAL-UHFFFAOYSA-N -1 3 287.290 3.295 20 0 CGADHM CC(=O)c1ccc(OCc2cc(=O)[n-]c(C3CC3)n2)c(C)c1 ZINC000412996018 527328329 /nfs/dbraw/zinc/32/83/29/527328329.db2.gz SCVPYNOBAKSXDW-UHFFFAOYSA-N -1 3 298.342 3.150 20 0 CGADHM O=[S@](CCCOCc1ccccc1)c1cccc([O-])c1 ZINC000184032254 527426265 /nfs/dbraw/zinc/42/62/65/527426265.db2.gz CQKYCAZBOZMQFO-HXUWFJFHSA-N -1 3 290.384 3.107 20 0 CGADHM O=[S@](Cc1coc(-c2ccccc2)n1)c1ccc([O-])cc1 ZINC000108083586 527430485 /nfs/dbraw/zinc/43/04/85/527430485.db2.gz PRDAORXJLDZLFU-NRFANRHFSA-N -1 3 299.351 3.355 20 0 CGADHM CC1(C)Cc2ccc(C(=O)Nc3ccsc3)c([O-])c2O1 ZINC000436548829 527775625 /nfs/dbraw/zinc/77/56/25/527775625.db2.gz SLBKFHMXTRALLI-UHFFFAOYSA-N -1 3 289.356 3.420 20 0 CGADHM CCN(C)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436625162 527785073 /nfs/dbraw/zinc/78/50/73/527785073.db2.gz DJXLXNGGDXCWQZ-UHFFFAOYSA-N -1 3 269.344 3.075 20 0 CGADHM CC1(C)Oc2ccc(NC(=O)c3cccc([O-])c3)cc2O1 ZINC000182026146 527817565 /nfs/dbraw/zinc/81/75/65/527817565.db2.gz FDDMGZHRUSIJAS-UHFFFAOYSA-N -1 3 285.299 3.152 20 0 CGADHM CC(C)OC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000444401263 527866104 /nfs/dbraw/zinc/86/61/04/527866104.db2.gz WSPKBMCDGZLKKS-UHFFFAOYSA-N -1 3 284.311 3.188 20 0 CGADHM CCC[C@@](C)(CC)C(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000411296416 527885539 /nfs/dbraw/zinc/88/55/39/527885539.db2.gz VSVJWBWALZPXRJ-CQSZACIVSA-N -1 3 276.340 3.220 20 0 CGADHM CCC[C@@](C)(CC)C(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000411296416 527885545 /nfs/dbraw/zinc/88/55/45/527885545.db2.gz VSVJWBWALZPXRJ-CQSZACIVSA-N -1 3 276.340 3.220 20 0 CGADHM CCC[C@@](C)(CC)C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000411296416 527885552 /nfs/dbraw/zinc/88/55/52/527885552.db2.gz VSVJWBWALZPXRJ-CQSZACIVSA-N -1 3 276.340 3.220 20 0 CGADHM CC(C)c1ccc(C(=O)N2CC[C@@H](C)[C@H]2C)c([O-])c1 ZINC000436570453 528065987 /nfs/dbraw/zinc/06/59/87/528065987.db2.gz QKHORULMYSSTSR-VXGBXAGGSA-N -1 3 261.365 3.386 20 0 CGADHM CC(C)c1ccccc1OCCNC(=O)c1ccccc1[O-] ZINC000436836954 528204407 /nfs/dbraw/zinc/20/44/07/528204407.db2.gz FCCBLZBNOAIFJN-UHFFFAOYSA-N -1 3 299.370 3.324 20 0 CGADHM CC(C)[C@@H](C(=O)Nc1ccc([O-])cc1F)c1cccnc1 ZINC000436069983 528372541 /nfs/dbraw/zinc/37/25/41/528372541.db2.gz ZKVGYSDDSPGBBB-OAHLLOKOSA-N -1 3 288.322 3.305 20 0 CGADHM CCN(CCC1CC1)C(=O)c1ccc(C)c(C)c1[O-] ZINC000436984166 528420402 /nfs/dbraw/zinc/42/04/02/528420402.db2.gz YUKALSGNWKZAMT-UHFFFAOYSA-N -1 3 261.365 3.271 20 0 CGADHM CCOc1ccc(F)c([N-]C(=O)c2nc(C)oc2C)c1F ZINC000410628324 528478544 /nfs/dbraw/zinc/47/85/44/528478544.db2.gz XKBQHOBMDGHDEG-UHFFFAOYSA-N -1 3 296.273 3.221 20 0 CGADHM CCCNc1ccccc1NC(=O)c1cccc([O-])c1 ZINC000359881546 528573723 /nfs/dbraw/zinc/57/37/23/528573723.db2.gz UHQKCPIAEMYRDV-UHFFFAOYSA-N -1 3 270.332 3.466 20 0 CGADHM CCCc1nc(-c2nc(-c3ccc([O-])cc3)no2)co1 ZINC000436591004 528679876 /nfs/dbraw/zinc/67/98/76/528679876.db2.gz UYBGKLIMLCFCLG-UHFFFAOYSA-N -1 3 271.276 3.050 20 0 CGADHM CCC[C@@H](CC(C)C)C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000449266951 528913103 /nfs/dbraw/zinc/91/31/03/528913103.db2.gz XUGBBPIMCUMNFV-QMMMGPOBSA-N -1 3 292.305 3.224 20 0 CGADHM CCC[C@@H](CC(C)C)C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000449266951 528913107 /nfs/dbraw/zinc/91/31/07/528913107.db2.gz XUGBBPIMCUMNFV-QMMMGPOBSA-N -1 3 292.305 3.224 20 0 CGADHM CC(C)N(Cc1cc([O-])cc(C(F)(F)F)c1)C1COC1 ZINC000449348100 528938297 /nfs/dbraw/zinc/93/82/97/528938297.db2.gz BFGANSOQMBYBNU-UHFFFAOYSA-N -1 3 289.297 3.020 20 0 CGADHM CC1(C)CCC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000427241978 528994799 /nfs/dbraw/zinc/99/47/99/528994799.db2.gz LUDZFNOOBUCVLX-MRVPVSSYSA-N -1 3 293.841 3.259 20 0 CGADHM CCC1(C)CN(C(=O)c2ccc(C(C)C)cc2[O-])C1 ZINC000436656142 529030085 /nfs/dbraw/zinc/03/00/85/529030085.db2.gz OVESGSHOYAYQOW-UHFFFAOYSA-N -1 3 261.365 3.388 20 0 CGADHM CCCCn1c(=O)[n-]nc1SCCCCC(F)(F)F ZINC000162179190 529065755 /nfs/dbraw/zinc/06/57/55/529065755.db2.gz LJPOLNQRFAIEFZ-UHFFFAOYSA-N -1 3 297.346 3.196 20 0 CGADHM CC[C@@H](N[C@@H](C)c1nc(C)cc(=O)[n-]1)c1cccs1 ZINC000192777238 529200992 /nfs/dbraw/zinc/20/09/92/529200992.db2.gz GAEKXOMRJQLQDS-WDEREUQCSA-N -1 3 277.393 3.354 20 0 CGADHM CC[C@@H](C)CSCc1cc(=O)[n-]c(C2CC2)n1 ZINC000412994269 529332445 /nfs/dbraw/zinc/33/24/45/529332445.db2.gz APIJEUGOBZGAKA-SECBINFHSA-N -1 3 252.383 3.339 20 0 CGADHM CC1(/C=C\C(=O)Nc2cc(Cl)ccc2[O-])CCOCC1 ZINC000493704919 535272791 /nfs/dbraw/zinc/27/27/91/535272791.db2.gz IVJYDYPTUPZGMA-PLNGDYQASA-N -1 3 295.766 3.357 20 0 CGADHM CC(C)=CCC[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000480696483 535357136 /nfs/dbraw/zinc/35/71/36/535357136.db2.gz WBIGJMSBAULZQR-UHFFFAOYSA-N -1 3 291.775 3.114 20 0 CGADHM CCc1cc(C(=O)Nc2ccc3c(c2)N(C)CC3)ccc1[O-] ZINC000486846913 536134571 /nfs/dbraw/zinc/13/45/71/536134571.db2.gz QAUYPHVHKQAIPA-UHFFFAOYSA-N -1 3 296.370 3.199 20 0 CGADHM COc1ccc(C(=O)NC(C)(C)c2ccccc2)c([O-])c1 ZINC000314155844 536736366 /nfs/dbraw/zinc/73/63/66/536736366.db2.gz GMWJZYNUACAFHU-UHFFFAOYSA-N -1 3 285.343 3.066 20 0 CGADHM COc1ccc([O-])c(C(=O)N2C[C@@H](C(C)C)[C@@H]2C(C)C)c1 ZINC000456308261 536819574 /nfs/dbraw/zinc/81/95/74/536819574.db2.gz YKQSMRVFCHOSQB-HOCLYGCPSA-N -1 3 291.391 3.153 20 0 CGADHM C[C@@H]1C[C@H](NC(=O)c2cc([O-])c3ccccc3c2)CS1 ZINC000334805280 571799968 /nfs/dbraw/zinc/79/99/68/571799968.db2.gz DYAMHSIJHACVBQ-MFKMUULPSA-N -1 3 287.384 3.169 20 0 CGADHM O=C(OCc1ccc2ccccc2n1)c1ccc([O-])cc1O ZINC000729374658 571903139 /nfs/dbraw/zinc/90/31/39/571903139.db2.gz URTSKEKDZOAKIR-UHFFFAOYSA-N -1 3 295.294 3.003 20 0 CGADHM CCc1csc(NC(=O)c2cc3occc3[n-]2)n1 ZINC000750864625 572330547 /nfs/dbraw/zinc/33/05/47/572330547.db2.gz QZWWPJTUFRURIZ-UHFFFAOYSA-N -1 3 261.306 3.032 20 0 CGADHM Cc1cccc2c1CCN2c1cccc(F)c1-c1nnn[n-]1 ZINC000737408186 572340189 /nfs/dbraw/zinc/34/01/89/572340189.db2.gz HZUOPVFPEDKCFF-UHFFFAOYSA-N -1 3 295.321 3.008 20 0 CGADHM Cc1cccc2c1CCN2c1cccc(F)c1-c1nn[n-]n1 ZINC000737408186 572340191 /nfs/dbraw/zinc/34/01/91/572340191.db2.gz HZUOPVFPEDKCFF-UHFFFAOYSA-N -1 3 295.321 3.008 20 0 CGADHM Clc1ccccc1CNc1ccccc1-c1nnn[n-]1 ZINC000737583355 572349427 /nfs/dbraw/zinc/34/94/27/572349427.db2.gz IXDMWMIMBXBSEN-UHFFFAOYSA-N -1 3 285.738 3.132 20 0 CGADHM Clc1ccccc1CNc1ccccc1-c1nn[n-]n1 ZINC000737583355 572349432 /nfs/dbraw/zinc/34/94/32/572349432.db2.gz IXDMWMIMBXBSEN-UHFFFAOYSA-N -1 3 285.738 3.132 20 0 CGADHM CC1CCC(C)(NC(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC000739003613 572398631 /nfs/dbraw/zinc/39/86/31/572398631.db2.gz GPKHVNYVSJMWHS-UHFFFAOYSA-N -1 3 294.370 3.299 20 0 CGADHM C[C@@H](c1ccccc1Cl)N1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000739171465 572402712 /nfs/dbraw/zinc/40/27/12/572402712.db2.gz CBZCOSFNKZCNHI-SUNKGSAMSA-N -1 3 296.798 3.379 20 0 CGADHM COc1ccc(Sc2nc3ccccc3c(=O)[n-]2)cc1 ZINC000731917361 572436428 /nfs/dbraw/zinc/43/64/28/572436428.db2.gz RZQHMMDUGLENBZ-UHFFFAOYSA-N -1 3 284.340 3.495 20 0 CGADHM O=C([O-])NCC1(NCc2cc3ccccc3o2)CCCC1 ZINC000740611516 572448085 /nfs/dbraw/zinc/44/80/85/572448085.db2.gz CSRJQPINDXMETE-UHFFFAOYSA-N -1 3 288.347 3.103 20 0 CGADHM Cc1ccc(-c2cc(C(=O)O[C@@H]3C=CCCC3)[n-]n2)o1 ZINC000733451405 572577890 /nfs/dbraw/zinc/57/78/90/572577890.db2.gz NNDACKKDGVVFBZ-LLVKDONJSA-N -1 3 272.304 3.244 20 0 CGADHM Cc1ccc(-c2cc(C(=O)O[C@@H]3C=CCCC3)n[n-]2)o1 ZINC000733451405 572577893 /nfs/dbraw/zinc/57/78/93/572577893.db2.gz NNDACKKDGVVFBZ-LLVKDONJSA-N -1 3 272.304 3.244 20 0 CGADHM O=C([N-]c1nc(C2CC2)no1)c1cc2ccccc2s1 ZINC000734878271 572690020 /nfs/dbraw/zinc/69/00/20/572690020.db2.gz HIWYEEYXSDRPHG-UHFFFAOYSA-N -1 3 285.328 3.414 20 0 CGADHM Cc1noc(C)c1COC(=O)c1c[n-]c(-c2ccccc2)n1 ZINC000735958062 572752747 /nfs/dbraw/zinc/75/27/47/572752747.db2.gz HUZZSQBYACWOAU-UHFFFAOYSA-N -1 3 297.314 3.039 20 0 CGADHM C[C@@H](CNc1c(F)cc(-c2nnn[n-]2)cc1F)C(C)(C)C ZINC000736026503 572762164 /nfs/dbraw/zinc/76/21/64/572762164.db2.gz OXRKPRMIUJRCGG-QMMMGPOBSA-N -1 3 295.337 3.239 20 0 CGADHM C[C@@H](CNc1c(F)cc(-c2nn[n-]n2)cc1F)C(C)(C)C ZINC000736026503 572762169 /nfs/dbraw/zinc/76/21/69/572762169.db2.gz OXRKPRMIUJRCGG-QMMMGPOBSA-N -1 3 295.337 3.239 20 0 CGADHM C[C@@H](c1ccc(-c2nnn[n-]2)cc1)N(C)Cc1cccs1 ZINC000736199704 572772682 /nfs/dbraw/zinc/77/26/82/572772682.db2.gz XXLGMQLDDCDCLQ-NSHDSACASA-N -1 3 299.403 3.121 20 0 CGADHM C[C@H]1CCC[C@H](N(C)c2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000736254279 572777159 /nfs/dbraw/zinc/77/71/59/572777159.db2.gz YEPONBPZYDWLCM-JQWIXIFHSA-N -1 3 289.358 3.021 20 0 CGADHM C[C@H]1CCC[C@H](N(C)c2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000736254279 572777161 /nfs/dbraw/zinc/77/71/61/572777161.db2.gz YEPONBPZYDWLCM-JQWIXIFHSA-N -1 3 289.358 3.021 20 0 CGADHM CC[C@@H](C)CN(C)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000736322737 572781957 /nfs/dbraw/zinc/78/19/57/572781957.db2.gz OMCNORPGRYEPLW-SECBINFHSA-N -1 3 279.775 3.002 20 0 CGADHM CC[C@@H](C)CN(C)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000736322737 572781959 /nfs/dbraw/zinc/78/19/59/572781959.db2.gz OMCNORPGRYEPLW-SECBINFHSA-N -1 3 279.775 3.002 20 0 CGADHM CC[C@@H](C)CN(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000736322947 572782087 /nfs/dbraw/zinc/78/20/87/572782087.db2.gz RVMWEFXUVJVKBC-SECBINFHSA-N -1 3 279.775 3.002 20 0 CGADHM CC[C@@H](C)CN(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000736322947 572782090 /nfs/dbraw/zinc/78/20/90/572782090.db2.gz RVMWEFXUVJVKBC-SECBINFHSA-N -1 3 279.775 3.002 20 0 CGADHM CCC[C@H](C)Nc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000736422028 572789102 /nfs/dbraw/zinc/78/91/02/572789102.db2.gz FFVOUIRYFOLLEZ-JTQLQIEISA-N -1 3 282.351 3.015 20 0 CGADHM CCC[C@H](C)Nc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000736422028 572789107 /nfs/dbraw/zinc/78/91/07/572789107.db2.gz FFVOUIRYFOLLEZ-JTQLQIEISA-N -1 3 282.351 3.015 20 0 CGADHM CCCCCSCc1cc(-c2nnn[n-]2)ccc1F ZINC000736451270 572794234 /nfs/dbraw/zinc/79/42/34/572794234.db2.gz ILBBSOTXAZQHKF-UHFFFAOYSA-N -1 3 280.372 3.429 20 0 CGADHM CCCCCSCc1cc(-c2nn[n-]n2)ccc1F ZINC000736451270 572794240 /nfs/dbraw/zinc/79/42/40/572794240.db2.gz ILBBSOTXAZQHKF-UHFFFAOYSA-N -1 3 280.372 3.429 20 0 CGADHM CCc1ccccc1CNc1ccc(-c2nnn[n-]2)cc1F ZINC000736702891 572806420 /nfs/dbraw/zinc/80/64/20/572806420.db2.gz YDLPKNNLXFOSIA-UHFFFAOYSA-N -1 3 297.337 3.180 20 0 CGADHM CCc1ccccc1CNc1ccc(-c2nn[n-]n2)cc1F ZINC000736702891 572806425 /nfs/dbraw/zinc/80/64/25/572806425.db2.gz YDLPKNNLXFOSIA-UHFFFAOYSA-N -1 3 297.337 3.180 20 0 CGADHM CCOCc1ccc(CN[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000737177299 572864547 /nfs/dbraw/zinc/86/45/47/572864547.db2.gz DREAWRAMWJINSB-QGZVFWFLSA-N -1 3 299.370 3.139 20 0 CGADHM O=C(OCC[C@@H]1CCCC1=O)c1cc(Cl)c(Cl)[n-]1 ZINC000748169861 572965276 /nfs/dbraw/zinc/96/52/76/572965276.db2.gz NGOIBOONAMVPCV-ZETCQYMHSA-N -1 3 290.146 3.238 20 0 CGADHM C[C@H](NCCCCCC(=O)[O-])c1nc2c(s1)CCCC2 ZINC000820142173 598162535 /nfs/dbraw/zinc/16/25/35/598162535.db2.gz ODMINIOISOENLL-NSHDSACASA-N -1 3 296.436 3.318 20 0 CGADHM COc1cccc([C@@H](C)NCc2cccc(C(=O)[O-])c2)c1 ZINC000234977222 598192296 /nfs/dbraw/zinc/19/22/96/598192296.db2.gz XMHLMVNEIXGLPT-GFCCVEGCSA-N -1 3 285.343 3.244 20 0 CGADHM Cc1ccc(CN(C)Cc2cccc(C(=O)[O-])c2)s1 ZINC000263466749 599811459 /nfs/dbraw/zinc/81/14/59/599811459.db2.gz KFJVJJBIIFGRRY-UHFFFAOYSA-N -1 3 275.373 3.387 20 0 CGADHM CN(Cc1ccc(F)cc1)Cc1ccc(F)cc1C(=O)[O-] ZINC000071265093 600082034 /nfs/dbraw/zinc/08/20/34/600082034.db2.gz UDVPUMPLMZJBMS-UHFFFAOYSA-N -1 3 291.297 3.295 20 0 CGADHM CC[C@H]1c2ccsc2CCN1C/C=C(\C)C(=O)[O-] ZINC000829170096 601050625 /nfs/dbraw/zinc/05/06/25/601050625.db2.gz KDVNYQHRFFAJNR-YCGNWBHESA-N -1 3 265.378 3.088 20 0 CGADHM CCc1ccc([C@H]2CCCCN2C/C=C(/C)C(=O)[O-])o1 ZINC000830238047 601172448 /nfs/dbraw/zinc/17/24/48/601172448.db2.gz NXYATRJTNNCYOX-FWLQQBITSA-N -1 3 277.364 3.400 20 0 CGADHM Cc1ccc(CN(C)Cc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000234293342 601613586 /nfs/dbraw/zinc/61/35/86/601613586.db2.gz JPOXDTBREJCTQB-UHFFFAOYSA-N -1 3 287.334 3.464 20 0 CGADHM c1sc(C2CCC2)nc1-c1cccc(-c2nnn[n-]2)c1 ZINC000826512937 607647139 /nfs/dbraw/zinc/64/71/39/607647139.db2.gz URYQQNYVOJZYJX-UHFFFAOYSA-N -1 3 283.360 3.258 20 0 CGADHM c1sc(C2CCC2)nc1-c1cccc(-c2nn[n-]n2)c1 ZINC000826512937 607647140 /nfs/dbraw/zinc/64/71/40/607647140.db2.gz URYQQNYVOJZYJX-UHFFFAOYSA-N -1 3 283.360 3.258 20 0 CGADHM Cc1ccccc1CNCc1cccc2c1N(C(=O)[O-])CC2 ZINC000830573186 603847264 /nfs/dbraw/zinc/84/72/64/603847264.db2.gz DJNFRSBIHXPYCR-UHFFFAOYSA-N -1 3 296.370 3.325 20 0 CGADHM CC(C)N(Cc1ccccn1)Cc1ccccc1C(=O)[O-] ZINC000833497480 604592096 /nfs/dbraw/zinc/59/20/96/604592096.db2.gz CVEXHUNKDBWHDU-UHFFFAOYSA-N -1 3 284.359 3.190 20 0 CGADHM O=C([O-])c1cc(CN2CCCCC[C@H]2c2ccco2)c[nH]1 ZINC000833778852 604654696 /nfs/dbraw/zinc/65/46/96/604654696.db2.gz FLKWQLWVSYPSGJ-AWEZNQCLSA-N -1 3 288.347 3.423 20 0 CGADHM O=C([O-])N[C@H]1C[C@@H](NCc2ccccc2)c2ccccc21 ZINC000834159047 605790338 /nfs/dbraw/zinc/79/03/38/605790338.db2.gz QZYLVWXVPWTBEJ-CVEARBPZSA-N -1 3 282.343 3.230 20 0 CGADHM CCCCCNc1nc2ccccc2cc1-c1nnn[n-]1 ZINC000821056650 606019411 /nfs/dbraw/zinc/01/94/11/606019411.db2.gz VOUCPFQAQYLXAR-UHFFFAOYSA-N -1 3 282.351 3.017 20 0 CGADHM CCCCCNc1nc2ccccc2cc1-c1nn[n-]n1 ZINC000821056650 606019415 /nfs/dbraw/zinc/01/94/15/606019415.db2.gz VOUCPFQAQYLXAR-UHFFFAOYSA-N -1 3 282.351 3.017 20 0 CGADHM c1ccc(OCCSc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000823792489 606329664 /nfs/dbraw/zinc/32/96/64/606329664.db2.gz VIBCXRFETSAFQQ-UHFFFAOYSA-N -1 3 298.371 3.038 20 0 CGADHM c1ccc(OCCSc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000823792489 606329666 /nfs/dbraw/zinc/32/96/66/606329666.db2.gz VIBCXRFETSAFQQ-UHFFFAOYSA-N -1 3 298.371 3.038 20 0 CGADHM CCc1cccc(NCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821492353 606655549 /nfs/dbraw/zinc/65/55/49/606655549.db2.gz MZUXADLIUSWASC-UHFFFAOYSA-N -1 3 279.347 3.041 20 0 CGADHM CCc1cccc(NCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821492353 606655550 /nfs/dbraw/zinc/65/55/50/606655550.db2.gz MZUXADLIUSWASC-UHFFFAOYSA-N -1 3 279.347 3.041 20 0 CGADHM Cc1ccc(Cl)c(NCc2ccccc2-c2nnn[n-]2)c1 ZINC000822239734 606777382 /nfs/dbraw/zinc/77/73/82/606777382.db2.gz BTRBEHFGXARAJT-UHFFFAOYSA-N -1 3 299.765 3.441 20 0 CGADHM Cc1ccc(Cl)c(NCc2ccccc2-c2nn[n-]n2)c1 ZINC000822239734 606777384 /nfs/dbraw/zinc/77/73/84/606777384.db2.gz BTRBEHFGXARAJT-UHFFFAOYSA-N -1 3 299.765 3.441 20 0 CGADHM CC(C)CSc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820102937 606902151 /nfs/dbraw/zinc/90/21/51/606902151.db2.gz MLPYRKRSFNXSPP-UHFFFAOYSA-N -1 3 268.773 3.268 20 0 CGADHM CC(C)CSc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820102937 606902153 /nfs/dbraw/zinc/90/21/53/606902153.db2.gz MLPYRKRSFNXSPP-UHFFFAOYSA-N -1 3 268.773 3.268 20 0 CGADHM CC[C@H](C)Nc1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000820875800 607172907 /nfs/dbraw/zinc/17/29/07/607172907.db2.gz GEYQIVWTWNWVDQ-ZETCQYMHSA-N -1 3 285.273 3.096 20 0 CGADHM CC[C@H](C)Nc1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000820875800 607172908 /nfs/dbraw/zinc/17/29/08/607172908.db2.gz GEYQIVWTWNWVDQ-ZETCQYMHSA-N -1 3 285.273 3.096 20 0 CGADHM CCCCCC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821043854 607189762 /nfs/dbraw/zinc/18/97/62/607189762.db2.gz UFAXRSUSTRDERP-UHFFFAOYSA-N -1 3 293.758 3.039 20 0 CGADHM CCCCCC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821043854 607189763 /nfs/dbraw/zinc/18/97/63/607189763.db2.gz UFAXRSUSTRDERP-UHFFFAOYSA-N -1 3 293.758 3.039 20 0 CGADHM CC(C)CSCCCNc1ccc(-c2nn[n-]n2)cc1 ZINC000824275591 607905322 /nfs/dbraw/zinc/90/53/22/607905322.db2.gz WPENPWZYZWAJFF-UHFFFAOYSA-N -1 3 291.424 3.058 20 0 CGADHM c1nc(CSc2ccc(-c3nnn[n-]3)cc2)oc1C1CC1 ZINC000826514074 608023482 /nfs/dbraw/zinc/02/34/82/608023482.db2.gz GPFYMLJJUCJXPQ-UHFFFAOYSA-N -1 3 299.359 3.024 20 0 CGADHM c1nc(CSc2ccc(-c3nn[n-]n3)cc2)oc1C1CC1 ZINC000826514074 608023483 /nfs/dbraw/zinc/02/34/83/608023483.db2.gz GPFYMLJJUCJXPQ-UHFFFAOYSA-N -1 3 299.359 3.024 20 0 CGADHM CCCC1CCC(Nc2cnccc2-c2nnn[n-]2)CC1 ZINC000825255861 608776238 /nfs/dbraw/zinc/77/62/38/608776238.db2.gz YZWDTSLRRPXRPK-UHFFFAOYSA-N -1 3 286.383 3.033 20 0 CGADHM CCCC1CCC(Nc2cnccc2-c2nn[n-]n2)CC1 ZINC000825255861 608776240 /nfs/dbraw/zinc/77/62/40/608776240.db2.gz YZWDTSLRRPXRPK-UHFFFAOYSA-N -1 3 286.383 3.033 20 0 CGADHM Cc1ccc(N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1F ZINC000826291789 609161484 /nfs/dbraw/zinc/16/14/84/609161484.db2.gz WHOXXMKTNBMPKT-LLVKDONJSA-N -1 3 297.337 3.487 20 0 CGADHM Cc1ccc(N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1F ZINC000826291789 609161485 /nfs/dbraw/zinc/16/14/85/609161485.db2.gz WHOXXMKTNBMPKT-LLVKDONJSA-N -1 3 297.337 3.487 20 0 CGADHM Cc1ccc(F)c(CNc2cc(-c3nnn[n-]3)ccc2C)c1 ZINC000826288958 609480679 /nfs/dbraw/zinc/48/06/79/609480679.db2.gz DIJMMNBIGJUVDJ-UHFFFAOYSA-N -1 3 297.337 3.235 20 0 CGADHM Cc1ccc(F)c(CNc2cc(-c3nn[n-]n3)ccc2C)c1 ZINC000826288958 609480681 /nfs/dbraw/zinc/48/06/81/609480681.db2.gz DIJMMNBIGJUVDJ-UHFFFAOYSA-N -1 3 297.337 3.235 20 0 CGADHM C[C@H](Cl)c1nc(=O)c2c3ccccc3sc2[n-]1 ZINC000077251871 617762288 /nfs/dbraw/zinc/76/22/88/617762288.db2.gz VEIDEOJIFVSCJA-LURJTMIESA-N -1 3 264.737 3.438 20 0 CGADHM Cc1ccc(C(=O)Nc2ccc(F)c([C@@H](C)O)c2)c([O-])c1 ZINC000804802461 617846197 /nfs/dbraw/zinc/84/61/97/617846197.db2.gz GNQWAFATSQLBGK-SNVBAGLBSA-N -1 3 289.306 3.145 20 0 CGADHM CCCO[N-]C(=O)CCc1ccc(Cl)c(Cl)c1 ZINC000844084124 617862173 /nfs/dbraw/zinc/86/21/73/617862173.db2.gz CFYNSCGEOPWZCS-UHFFFAOYSA-N -1 3 276.163 3.384 20 0 CGADHM Cc1ccc(C(=O)N2C[C@H](C)Oc3cc(C)ccc32)c([O-])c1 ZINC000175841286 618107106 /nfs/dbraw/zinc/10/71/06/618107106.db2.gz FMWRHLBUKTZDLO-ZDUSSCGKSA-N -1 3 297.354 3.437 20 0 CGADHM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCC(C(F)F)CC1 ZINC000307874756 618153355 /nfs/dbraw/zinc/15/33/55/618153355.db2.gz PYWZYRSXOSTBHV-QMMMGPOBSA-N -1 3 273.279 3.016 20 0 CGADHM O=C(Cc1ccc2ccccc2c1)[N-]OCCC(F)(F)F ZINC000077239681 618195026 /nfs/dbraw/zinc/19/50/26/618195026.db2.gz BWPXUOFUQISBJC-UHFFFAOYSA-N -1 3 297.276 3.383 20 0 CGADHM Cc1ccc(-c2cc(C(=O)OC3(C4CC4)CC3)n[n-]2)o1 ZINC000176159841 618382119 /nfs/dbraw/zinc/38/21/19/618382119.db2.gz CTJRSDAEHRBIST-UHFFFAOYSA-N -1 3 272.304 3.078 20 0 CGADHM Cc1ccc(-c2cc(C(=O)OC3(C4CC4)CC3)[n-]n2)o1 ZINC000176159841 618382130 /nfs/dbraw/zinc/38/21/30/618382130.db2.gz CTJRSDAEHRBIST-UHFFFAOYSA-N -1 3 272.304 3.078 20 0 CGADHM O=C(/C=C\c1ccco1)Nc1cc(Cl)ccc1[O-] ZINC000255497129 618604265 /nfs/dbraw/zinc/60/42/65/618604265.db2.gz FBILMEMCFOOTPZ-XQRVVYSFSA-N -1 3 263.680 3.291 20 0 CGADHM CC(C)(C[N-]C(=O)C(F)(F)C(F)F)c1cccc(F)c1 ZINC000176772687 618704808 /nfs/dbraw/zinc/70/48/08/618704808.db2.gz MLICDFQZVKHVGG-UHFFFAOYSA-N -1 3 295.251 3.120 20 0 CGADHM CC(=O)Nc1ccc(NC(=O)c2cccc(C)c2[O-])cc1C ZINC000892735873 618928160 /nfs/dbraw/zinc/92/81/60/618928160.db2.gz RARHJKSSBBSTAX-UHFFFAOYSA-N -1 3 298.342 3.220 20 0 CGADHM Cc1cccc(C(=O)Nc2ncsc2C2CC2)c1[O-] ZINC000893279921 619063555 /nfs/dbraw/zinc/06/35/55/619063555.db2.gz MVGMMCZWMLLXOM-UHFFFAOYSA-N -1 3 274.345 3.287 20 0 CGADHM C[C@H]1CCC[C@H](CC(=O)[N-]OCCC(F)(F)F)C1 ZINC000162852445 619220587 /nfs/dbraw/zinc/22/05/87/619220587.db2.gz UCCPAQMDAQBIAL-UWVGGRQHSA-N -1 3 267.291 3.203 20 0 CGADHM c1nn(C2CCC2)cc1[N-]c1nc2ccccc2o1 ZINC000897103315 620144866 /nfs/dbraw/zinc/14/48/66/620144866.db2.gz UYMWNKROANLRDR-UHFFFAOYSA-N -1 3 254.293 3.493 20 0 CGADHM CC(C)O[N-]C(=O)CCCc1ccc(C2CC2)cc1 ZINC000897888541 620445381 /nfs/dbraw/zinc/44/53/81/620445381.db2.gz CZAHYYBDHJXJMB-UHFFFAOYSA-N -1 3 261.365 3.343 20 0 CGADHM CCCCC[C@](C)(CC)C(=O)NCc1nc(C)cc(=O)[n-]1 ZINC000898261073 620500964 /nfs/dbraw/zinc/50/09/64/620500964.db2.gz CPVGBEXLJBOSJT-INIZCTEOSA-N -1 3 293.411 3.103 20 0 CGADHM O=C([O-])CCC[N@H+](Cc1ccccc1)Cc1ccccc1[O-] ZINC000901804290 621034613 /nfs/dbraw/zinc/03/46/13/621034613.db2.gz UBNIWSNFENETII-UHFFFAOYSA-N -1 3 299.370 3.259 20 0 CGADHM O=C([O-])CCC[N@@H+](Cc1ccccc1)Cc1ccccc1[O-] ZINC000901804290 621034617 /nfs/dbraw/zinc/03/46/17/621034617.db2.gz UBNIWSNFENETII-UHFFFAOYSA-N -1 3 299.370 3.259 20 0 CGADHM COc1ccccc1CN[C@H](C(=O)[O-])c1ccc(C)c(C)c1 ZINC000901848604 621050625 /nfs/dbraw/zinc/05/06/25/621050625.db2.gz GHLGBXPSWXFZJP-KRWDZBQOSA-N -1 3 299.370 3.228 20 0 CGADHM O=C([O-])C[C@H]1CCCN1Cc1cscc1C(F)(F)F ZINC000902009404 621097072 /nfs/dbraw/zinc/09/70/72/621097072.db2.gz WVVNERMTMULNTB-SECBINFHSA-N -1 3 293.310 3.206 20 0 CGADHM CCc1nc([C@H](C)N[C@@H]2CC[C@H](CC(=O)[O-])[C@@H]2C)cs1 ZINC000902252239 621209396 /nfs/dbraw/zinc/20/93/96/621209396.db2.gz GEIZIZNEMKRXED-NNYUYHANSA-N -1 3 296.436 3.246 20 0 CGADHM COC1(C)CCN(Cc2ccc(C(=O)[O-])c(Cl)c2)CC1 ZINC000902303867 621246470 /nfs/dbraw/zinc/24/64/70/621246470.db2.gz KSENUEYJUGHLIX-UHFFFAOYSA-N -1 3 297.782 3.039 20 0 CGADHM Cc1oc(CN[C@@H]2C[C@H]2CC(C)(C)C)cc1C(=O)[O-] ZINC000902463229 621336814 /nfs/dbraw/zinc/33/68/14/621336814.db2.gz NCGFEFGUAFLVQJ-GXFFZTMASA-N -1 3 265.353 3.201 20 0 CGADHM CN(Cc1ccc(/C=C\C(=O)[O-])o1)[C@@H]1CCc2ccccc21 ZINC000902510356 621350755 /nfs/dbraw/zinc/35/07/55/621350755.db2.gz VSHQEXPDWAHZLS-FPISAVPCSA-N -1 3 297.354 3.497 20 0 CGADHM CCc1onc(C)c1CO[N-]C(=O)CCC1CCCCC1 ZINC000902704800 621404690 /nfs/dbraw/zinc/40/46/90/621404690.db2.gz LAYNEXPUCSHQDB-UHFFFAOYSA-N -1 3 294.395 3.454 20 0 CGADHM O=C([O-])[C@H]1c2ccoc2CCN1CC[C@@H]1CCCC1(F)F ZINC000903606577 621770308 /nfs/dbraw/zinc/77/03/08/621770308.db2.gz LCASMQWBIZRKII-GXFFZTMASA-N -1 3 299.317 3.089 20 0 CGADHM CC[C@@H](CNCc1ncc(-c2ccccc2)s1)C(=O)[O-] ZINC000903705650 621794120 /nfs/dbraw/zinc/79/41/20/621794120.db2.gz PHNFLLXKRKDRHL-NSHDSACASA-N -1 3 290.388 3.011 20 0 CGADHM CCCN(Cc1occ(C(F)(F)F)c1C(=O)[O-])C1CC1 ZINC000903899582 621829760 /nfs/dbraw/zinc/82/97/60/621829760.db2.gz YQGWKGQYSQWPQF-UHFFFAOYSA-N -1 3 291.269 3.371 20 0 CGADHM C[C@@H]1CSCCCN1Cc1ccc(C(=O)[O-])c(Cl)c1 ZINC000903957414 621837031 /nfs/dbraw/zinc/83/70/31/621837031.db2.gz NJVNOPATMDVMMC-SNVBAGLBSA-N -1 3 299.823 3.366 20 0 CGADHM O=C([O-])[C@H]1CC[C@@H](NCc2c(F)cccc2Cl)CC1 ZINC000904056592 621860588 /nfs/dbraw/zinc/86/05/88/621860588.db2.gz FNPGAOHWDOKGIS-AOOOYVTPSA-N -1 3 285.746 3.212 20 0 CGADHM CCOc1cccc(CN[C@H](C(=O)[O-])c2cccc(C)c2)c1 ZINC000904262329 621894113 /nfs/dbraw/zinc/89/41/13/621894113.db2.gz DJUWBRHFSIVXIN-KRWDZBQOSA-N -1 3 299.370 3.309 20 0 CGADHM [O-]c1cc(-c2ccc(O[C@@H]3CCOC3)cc2)ccc1F ZINC000904753869 621962293 /nfs/dbraw/zinc/96/22/93/621962293.db2.gz MICDHDKTZSWWPA-CQSZACIVSA-N -1 3 274.291 3.366 20 0 CGADHM O=C([O-])[C@@H](NC/C=C\Cl)c1cccc(C(F)(F)F)c1 ZINC000905403140 622067143 /nfs/dbraw/zinc/06/71/43/622067143.db2.gz LEFGNISSBLGVSK-ODTOEKCJSA-N -1 3 293.672 3.173 20 0 CGADHM CCC(CC)c1noc(-c2cc(=O)[n-]c(C3CC3)n2)n1 ZINC000906103881 622151021 /nfs/dbraw/zinc/15/10/21/622151021.db2.gz QDFOAJODAJIUJT-UHFFFAOYSA-N -1 3 274.324 3.013 20 0 CGADHM CCc1ccc([C@@H](C)[N-]C(=O)C(F)(F)C(F)F)cc1 ZINC000226597892 622981745 /nfs/dbraw/zinc/98/17/45/622981745.db2.gz ZNIXCQYSTMLWTC-MRVPVSSYSA-N -1 3 277.261 3.327 20 0 CGADHM O=C(OCCCOc1ccc(F)cc1)c1ccc([O-])cc1 ZINC000060383193 623037696 /nfs/dbraw/zinc/03/76/96/623037696.db2.gz PUOMFTCHAUUQBE-UHFFFAOYSA-N -1 3 290.290 3.157 20 0 CGADHM O=C([N-]c1ccc(C2CC2)cc1F)c1nnc(C2CC2)o1 ZINC000913767675 623576608 /nfs/dbraw/zinc/57/66/08/623576608.db2.gz MUIPNLASNLFBPZ-UHFFFAOYSA-N -1 3 287.294 3.216 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)Nc1ncsc1C1CC1 ZINC000914120128 623658128 /nfs/dbraw/zinc/65/81/28/623658128.db2.gz VQRBAYAAOYYNHY-UHFFFAOYSA-N -1 3 292.335 3.046 20 0 CGADHM CCON(CC1CCCCC1)C(=O)c1ccc(O)cc1[O-] ZINC000837198627 624020081 /nfs/dbraw/zinc/02/00/81/624020081.db2.gz CQWYKVDGVPJLCA-UHFFFAOYSA-N -1 3 293.363 3.072 20 0 CGADHM CC(C)OC(=O)CCC/N=C/c1cc(Cl)ccc1[O-] ZINC000154222925 624221975 /nfs/dbraw/zinc/22/19/75/624221975.db2.gz PLBUKMGLISRLNC-CXUHLZMHSA-N -1 3 283.755 3.196 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CCC3(CCCC3)C2)c1 ZINC000174848796 624290464 /nfs/dbraw/zinc/29/04/64/624290464.db2.gz XSYFGXYSOZZCJK-UHFFFAOYSA-N -1 3 273.376 3.361 20 0 CGADHM CC[C@@H]1C[C@H]1C(=O)Oc1cccc(-c2nc(C)cc(=O)[n-]2)c1 ZINC000835185077 634386007 /nfs/dbraw/zinc/38/60/07/634386007.db2.gz OFEUKGAHYLUICX-BXUZGUMPSA-N -1 3 298.342 3.109 20 0 CGADHM C[C@@H]1CCCC[C@H]1CC(=O)[N-]OCc1ccccc1 ZINC000920430758 624501248 /nfs/dbraw/zinc/50/12/48/624501248.db2.gz AISZTQMYPXJFQE-HIFRSBDPSA-N -1 3 261.365 3.451 20 0 CGADHM CC[C@]1(C(=O)[O-])CCCN(Cc2ccc(C)c(Cl)n2)C1 ZINC000923469102 626156700 /nfs/dbraw/zinc/15/67/00/626156700.db2.gz HFMFIXSZONXCDX-HNNXBMFYSA-N -1 3 296.798 3.120 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)OCCCCC(F)(F)F ZINC000838141547 626196415 /nfs/dbraw/zinc/19/64/15/626196415.db2.gz HQPDDHWOCUOCJU-UHFFFAOYSA-N -1 3 294.244 3.350 20 0 CGADHM O=C([O-])CCCCCCNCc1c(F)cccc1F ZINC000756281693 626689074 /nfs/dbraw/zinc/68/90/74/626689074.db2.gz JKNAWDOOKYTPKR-UHFFFAOYSA-N -1 3 271.307 3.090 20 0 CGADHM O=C([N-]C1(C2CC2)CC1)C(F)(F)c1c(F)cccc1F ZINC000757061276 626751885 /nfs/dbraw/zinc/75/18/85/626751885.db2.gz GIPBVPIGAGZSQJ-UHFFFAOYSA-N -1 3 287.256 3.115 20 0 CGADHM O=C(Cc1cccc(C2CC2)c1)[N-]OC1CCCC1 ZINC000839719417 626782194 /nfs/dbraw/zinc/78/21/94/626782194.db2.gz QEKIXTQHZAXTJT-UHFFFAOYSA-N -1 3 259.349 3.097 20 0 CGADHM COc1cc(C(=O)OCCCC(C)C)cc(OC)c1[O-] ZINC000758526646 626847892 /nfs/dbraw/zinc/84/78/92/626847892.db2.gz ISPAITPLOIOMSM-UHFFFAOYSA-N -1 3 282.336 3.002 20 0 CGADHM CCCN(Cc1ccc(F)cc1)Cc1nc(C)cc(=O)[n-]1 ZINC000761861237 627068465 /nfs/dbraw/zinc/06/84/65/627068465.db2.gz QRUZYXOCSHIDPF-UHFFFAOYSA-N -1 3 289.354 3.042 20 0 CGADHM Cc1cc(=O)[n-]c(CSCCc2cccs2)n1 ZINC000763208824 627145614 /nfs/dbraw/zinc/14/56/14/627145614.db2.gz OENSCLOBWKABCR-UHFFFAOYSA-N -1 3 266.391 3.028 20 0 CGADHM O=C(/C=C\c1ccc(O)cc1)Nc1ccc(Cl)cc1[O-] ZINC000764277110 627202520 /nfs/dbraw/zinc/20/25/20/627202520.db2.gz HQQIVJJNFTUEPR-BAQGIRSFSA-N -1 3 289.718 3.403 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])C(F)=C1CCCC1 ZINC000764395887 627205816 /nfs/dbraw/zinc/20/58/16/627205816.db2.gz LWSPNQDGOTUFEP-UHFFFAOYSA-N -1 3 253.248 3.267 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])c1csc(Cl)n1 ZINC000769721137 627574240 /nfs/dbraw/zinc/57/42/40/627574240.db2.gz XZUDLVICUGJRDC-UHFFFAOYSA-N -1 3 289.143 3.408 20 0 CGADHM CC(C)C1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000771091708 627682247 /nfs/dbraw/zinc/68/22/47/627682247.db2.gz KNHAISCHUKKUAD-UHFFFAOYSA-N -1 3 251.292 3.127 20 0 CGADHM O=C(C[C@@H]1CCc2ccccc2C1)[N-]OC1CCCC1 ZINC000774875697 628045701 /nfs/dbraw/zinc/04/57/01/628045701.db2.gz PRKZLKYETHSVPS-CYBMUJFWSA-N -1 3 273.376 3.172 20 0 CGADHM CC(C)Oc1ccccc1CC(=O)[N-]OC1CCCC1 ZINC000774875913 628046291 /nfs/dbraw/zinc/04/62/91/628046291.db2.gz XTZZQPKLFKGVGC-UHFFFAOYSA-N -1 3 277.364 3.007 20 0 CGADHM CCC[C@@H](C)c1noc(-c2cc(OC)c([O-])c(OC)c2)n1 ZINC000776880711 628238030 /nfs/dbraw/zinc/23/80/30/628238030.db2.gz CLHJNYHRTSQSKY-SECBINFHSA-N -1 3 292.335 3.363 20 0 CGADHM O=C(CCc1ccc2[nH]ccc2c1)[N-]OC1CCCCC1 ZINC000777965188 628317110 /nfs/dbraw/zinc/31/71/10/628317110.db2.gz ZWOZBVUHUPTSAK-UHFFFAOYSA-N -1 3 286.375 3.481 20 0 CGADHM Cc1cc(C=C2SC(=O)[N-]C2=O)ccc1Br ZINC000874927636 634652618 /nfs/dbraw/zinc/65/26/18/634652618.db2.gz KPODFUDQYHVMNN-WEVVVXLNSA-N -1 3 298.161 3.081 20 0 CGADHM C[C@@H]1CC[C@H](OC(=O)c2cc(-c3ccco3)[n-]n2)C1 ZINC000779257165 628397659 /nfs/dbraw/zinc/39/76/59/628397659.db2.gz BPCVXISWTJSXRQ-ZJUUUORDSA-N -1 3 260.293 3.015 20 0 CGADHM C[C@@H]1CC[C@H](OC(=O)c2cc(-c3ccco3)n[n-]2)C1 ZINC000779257165 628397662 /nfs/dbraw/zinc/39/76/62/628397662.db2.gz BPCVXISWTJSXRQ-ZJUUUORDSA-N -1 3 260.293 3.015 20 0 CGADHM O=C([N-][C@@H]1CC[C@H](Cc2ccccc2)C1)C(F)(F)F ZINC000783850822 628751266 /nfs/dbraw/zinc/75/12/66/628751266.db2.gz ORTPTFRDDVUQQY-VXGBXAGGSA-N -1 3 271.282 3.076 20 0 CGADHM CC[C@@H](C)CCCCC(=O)[N-]OCc1cccnc1 ZINC000784689843 628829873 /nfs/dbraw/zinc/82/98/73/628829873.db2.gz QJYQRUMWFKFORQ-CYBMUJFWSA-N -1 3 264.369 3.236 20 0 CGADHM Cc1ccc(C(=O)COC(=O)c2cc3occc3[n-]2)cc1 ZINC000786031766 628908708 /nfs/dbraw/zinc/90/87/08/628908708.db2.gz PXGJJIBJUDFXDX-UHFFFAOYSA-N -1 3 283.283 3.109 20 0 CGADHM CCc1ccc(C(=O)Nc2cccc(OC)c2F)c([O-])c1 ZINC000787276455 629007169 /nfs/dbraw/zinc/00/71/69/629007169.db2.gz VOSXTDYFKHSQHZ-UHFFFAOYSA-N -1 3 289.306 3.355 20 0 CGADHM O=C(CCCc1ccc([O-])c(F)c1)OCCC(F)(F)F ZINC000787843730 629032973 /nfs/dbraw/zinc/03/29/73/629032973.db2.gz KQBNENGNHHOKDN-UHFFFAOYSA-N -1 3 294.244 3.350 20 0 CGADHM O=C(c1cc([O-])c2ccccc2c1)N(C1CC1)C1CC1 ZINC000862851142 629442239 /nfs/dbraw/zinc/44/22/39/629442239.db2.gz BHLVUUZBYFUJCP-UHFFFAOYSA-N -1 3 267.328 3.312 20 0 CGADHM COc1ccccc1CO[N-]C(=O)CC1CC(C)(C)C1 ZINC000794476762 629545755 /nfs/dbraw/zinc/54/57/55/629545755.db2.gz ASMOVHKWRLZHKX-UHFFFAOYSA-N -1 3 277.364 3.069 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)Cc1cccc(C)c1Cl ZINC000794842624 629586984 /nfs/dbraw/zinc/58/69/84/629586984.db2.gz LUWIPTUXIXQICF-SNVBAGLBSA-N -1 3 269.772 3.285 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)C[C@H](C)Cc1ccccc1OC ZINC000794849611 629587696 /nfs/dbraw/zinc/58/76/96/629587696.db2.gz BYIDXXLQVVGXFZ-ZIAGYGMSSA-N -1 3 293.407 3.358 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)C[C@H](C)c1cccc(OC)c1 ZINC000794850447 629587811 /nfs/dbraw/zinc/58/78/11/629587811.db2.gz DCTUJBONCHMMTM-OLZOCXBDSA-N -1 3 279.380 3.283 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)Cc1cccc(OC(C)C)c1 ZINC000794865076 629591611 /nfs/dbraw/zinc/59/16/11/629591611.db2.gz OCPOUCDHVFHOEL-CYBMUJFWSA-N -1 3 279.380 3.110 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)Cc1c[nH]c2cc(Cl)ccc12 ZINC000794868839 629592480 /nfs/dbraw/zinc/59/24/80/629592480.db2.gz FUAGLAJXHSYPQN-SNVBAGLBSA-N -1 3 294.782 3.458 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)CCSc1ccccc1F ZINC000794875044 629593106 /nfs/dbraw/zinc/59/31/06/629593106.db2.gz KRXATDQSWBQGPL-LLVKDONJSA-N -1 3 285.384 3.402 20 0 CGADHM O=C(OCc1cncc(F)c1)c1cc(F)cc(Cl)c1[O-] ZINC000795532810 629689159 /nfs/dbraw/zinc/68/91/59/629689159.db2.gz HOBXXQSAGDIMQA-UHFFFAOYSA-N -1 3 299.660 3.076 20 0 CGADHM COc1cc(C(=O)OC[C@H](C)CC(C)C)cc(OC)c1[O-] ZINC000798642859 630080089 /nfs/dbraw/zinc/08/00/89/630080089.db2.gz YVYJQVKHFAXGAZ-LLVKDONJSA-N -1 3 296.363 3.248 20 0 CGADHM CCC[C@H](O)CCCS[C@H](C)c1nc(C)cc(=O)[n-]1 ZINC000865379841 630089290 /nfs/dbraw/zinc/08/92/90/630089290.db2.gz BFOFKWDPLYYOBS-NEPJUHHUSA-N -1 3 284.425 3.226 20 0 CGADHM CCCC(C)(C)CC(=O)[N-]OCc1ccccc1OC ZINC000799092068 630140766 /nfs/dbraw/zinc/14/07/66/630140766.db2.gz ZQUYUZPYMAXWES-UHFFFAOYSA-N -1 3 279.380 3.459 20 0 CGADHM O=C(CCCc1ccc([O-])c(F)c1)OCCCCF ZINC000803456386 630480412 /nfs/dbraw/zinc/48/04/12/630480412.db2.gz TUVNUUXJPRCNBN-UHFFFAOYSA-N -1 3 272.291 3.147 20 0 CGADHM CC1(CC(=O)[N-]OCc2ccc(F)cc2)CCCC1 ZINC000808415562 630642945 /nfs/dbraw/zinc/64/29/45/630642945.db2.gz MLCNPEDQHWJPLZ-UHFFFAOYSA-N -1 3 265.328 3.344 20 0 CGADHM CC/C=C\CCOC(=O)c1n[n-]c2c1cccc2OC ZINC000808674385 630663254 /nfs/dbraw/zinc/66/32/54/630663254.db2.gz RRFCKQXPOUJFFB-PLNGDYQASA-N -1 3 274.320 3.085 20 0 CGADHM CC/C=C\CCOC(=O)c1[n-]nc2c1cccc2OC ZINC000808674385 630663256 /nfs/dbraw/zinc/66/32/56/630663256.db2.gz RRFCKQXPOUJFFB-PLNGDYQASA-N -1 3 274.320 3.085 20 0 CGADHM Cc1ccc(CCCC(=O)[N-]OC/C=C\Cl)cc1 ZINC000812398488 631244524 /nfs/dbraw/zinc/24/45/24/631244524.db2.gz RKEWNHRGECKCJK-KMKOMSMNSA-N -1 3 267.756 3.118 20 0 CGADHM O=C(Cc1cc(Cl)ccc1Cl)[N-]OC/C=C\Cl ZINC000812406623 631246995 /nfs/dbraw/zinc/24/69/95/631246995.db2.gz RSXQRPBKBMFICM-RJRFIUFISA-N -1 3 294.565 3.336 20 0 CGADHM CC(F)(F)C(=O)[N-][C@H](c1cccc(F)c1)c1ccccn1 ZINC000815892060 631830561 /nfs/dbraw/zinc/83/05/61/631830561.db2.gz DZNHFHTTYOBOPS-CYBMUJFWSA-N -1 3 294.276 3.082 20 0 CGADHM [O-]c1ccc(F)c(CN2CCOc3ccccc3C2)c1F ZINC000816494541 631993671 /nfs/dbraw/zinc/99/36/71/631993671.db2.gz PRVBMHQNEPGRSK-UHFFFAOYSA-N -1 3 291.297 3.065 20 0 CGADHM CC(C)c1ccc(C(=O)N2Cc3ccncc3C2)c([O-])c1 ZINC000816582734 632018357 /nfs/dbraw/zinc/01/83/57/632018357.db2.gz PVNPNKZRAUZDEN-UHFFFAOYSA-N -1 3 282.343 3.067 20 0 CGADHM CC(=O)c1ccc(C(=O)N2CCCCCCC2)cc1[O-] ZINC000816814460 632054016 /nfs/dbraw/zinc/05/40/16/632054016.db2.gz RMKQQNGKUIFFQJ-UHFFFAOYSA-N -1 3 275.348 3.001 20 0 CGADHM C[C@@H](CC(=O)[N-]OCCC1CC1)c1ccc(F)cc1 ZINC000817425296 632150616 /nfs/dbraw/zinc/15/06/16/632150616.db2.gz APVDLLKZVQIPGW-NSHDSACASA-N -1 3 265.328 3.167 20 0 CGADHM Cc1ccccc1[C@@H](NC(=O)c1ccc(N)cc1[O-])C1CC1 ZINC000817937623 632237565 /nfs/dbraw/zinc/23/75/65/632237565.db2.gz YOCQWYMRRFKQET-KRWDZBQOSA-N -1 3 296.370 3.164 20 0 CGADHM C[C@H]1CN(C(=O)c2cc3sccc3c([O-])c2)[C@H]1C ZINC000818471966 632321899 /nfs/dbraw/zinc/32/18/99/632321899.db2.gz GCWWRMITSACHFS-IUCAKERBSA-N -1 3 261.346 3.087 20 0 CGADHM O=C(Nc1c([O-])cccc1Cl)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000820559228 632646931 /nfs/dbraw/zinc/64/69/31/632646931.db2.gz VHCGHEAFMWEAFY-QZERSUKASA-N -1 3 277.751 3.276 20 0 CGADHM CSc1ccc([O-])c(C(=O)N[C@H](C)Cc2ccco2)c1 ZINC000821705145 632810790 /nfs/dbraw/zinc/81/07/90/632810790.db2.gz GISFQNAUVQFSNV-SNVBAGLBSA-N -1 3 291.372 3.068 20 0 CGADHM CC(C(=O)Nc1ccc(Cl)cc1[O-])=C1CCC1 ZINC000827803078 633519000 /nfs/dbraw/zinc/51/90/00/633519000.db2.gz KCOCWPKNTSSSAX-UHFFFAOYSA-N -1 3 251.713 3.485 20 0 CGADHM O=C(OCCC[C@@H]1CCOC1)c1cccc(Cl)c1[O-] ZINC000828982894 633675554 /nfs/dbraw/zinc/67/55/54/633675554.db2.gz LOCZXSSDAQOIFI-SNVBAGLBSA-N -1 3 284.739 3.019 20 0 CGADHM CCCCCCC(=O)[N-]OCCCC(F)(F)F ZINC000871211819 633727447 /nfs/dbraw/zinc/72/74/47/633727447.db2.gz BDYOQXAEDQNWLC-UHFFFAOYSA-N -1 3 255.280 3.347 20 0 CGADHM O=C(C[C@@H]1CCC(F)(F)C1)[N-]OCCCC(F)(F)F ZINC000871216136 633730273 /nfs/dbraw/zinc/73/02/73/633730273.db2.gz RJSIRBQBLZDRDW-QMMMGPOBSA-N -1 3 289.244 3.202 20 0 CGADHM COc1ccc(CCC(=O)[N-]OCCC=C(C)C)cc1 ZINC000871798593 633870165 /nfs/dbraw/zinc/87/01/65/633870165.db2.gz LYYNENKHSMBYSN-UHFFFAOYSA-N -1 3 277.364 3.032 20 0 CGADHM C[C@H](NCc1cccc2c1OCO2)c1cccc([O-])c1F ZINC000872024869 633945055 /nfs/dbraw/zinc/94/50/55/633945055.db2.gz WSUHJWSJUMOLAV-JTQLQIEISA-N -1 3 289.306 3.111 20 0 CGADHM COc1ccc(CN[C@@H](C)c2cccc([O-])c2F)cc1O ZINC000872030406 633949505 /nfs/dbraw/zinc/94/95/05/633949505.db2.gz FAQPDKNCJICYIK-JTQLQIEISA-N -1 3 291.322 3.096 20 0 CGADHM CCn1nc(C)c(CN[C@H](C)c2cccc([O-])c2F)c1C ZINC000872032513 633951493 /nfs/dbraw/zinc/95/14/93/633951493.db2.gz VKGULQHGMPETCM-SNVBAGLBSA-N -1 3 291.370 3.215 20 0 CGADHM C[C@H](N[C@@H]1CCCC[C@@H]1F)c1cccc([O-])c1F ZINC000872092615 634017673 /nfs/dbraw/zinc/01/76/73/634017673.db2.gz PMTWAJHZHDBUCK-ZMLRMANQSA-N -1 3 255.308 3.463 20 0 CGADHM Cc1ccc(CN2CCS[C@H](C)[C@@H]2C)cc1C(=O)[O-] ZINC000872159487 634069279 /nfs/dbraw/zinc/06/92/79/634069279.db2.gz UUWCTWRIYMZSDY-NWDGAFQWSA-N -1 3 279.405 3.019 20 0 CGADHM O=C([O-])[C@H](c1ccsc1)N1CCC[C@H](C(F)(F)F)C1 ZINC000872162979 634072676 /nfs/dbraw/zinc/07/26/76/634072676.db2.gz QTWXUYHDIUDOQG-UWVGGRQHSA-N -1 3 293.310 3.148 20 0 CGADHM O=C(CCCCCc1ccc(O)cc1)[N-]OCCC1CC1 ZINC000832845894 634102951 /nfs/dbraw/zinc/10/29/51/634102951.db2.gz VCKMSPRINLQOHB-UHFFFAOYSA-N -1 3 291.391 3.343 20 0 CGADHM Cc1noc(C)c1COC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000021730033 634863572 /nfs/dbraw/zinc/86/35/72/634863572.db2.gz KOAGPGHIYZFNCQ-UHFFFAOYSA-N -1 3 289.118 3.283 20 0 CGADHM CC(C)(O)C1CCN(Cc2cccc([O-])c2Cl)CC1 ZINC000877752933 635183171 /nfs/dbraw/zinc/18/31/71/635183171.db2.gz YSSHWFHBUTVOAJ-UHFFFAOYSA-N -1 3 283.799 3.029 20 0 CGADHM COc1ccc(Cl)cc1CO[N-]C(=O)CC(C)(C)C ZINC000842060473 635269678 /nfs/dbraw/zinc/26/96/78/635269678.db2.gz LKRLEFBYPXEFFG-UHFFFAOYSA-N -1 3 285.771 3.333 20 0 CGADHM CC(C)(C)CC(=O)[N-]OC[C@H]1CCCCC1(F)F ZINC000842061909 635271310 /nfs/dbraw/zinc/27/13/10/635271310.db2.gz SBLSLZMWVSYRES-SNVBAGLBSA-N -1 3 263.328 3.296 20 0 CGADHM CSc1ccc(OCCO[N-]C(=O)CC(C)(C)C)cc1 ZINC000842062759 635272444 /nfs/dbraw/zinc/27/24/44/635272444.db2.gz AJCNULQMDZBLQU-UHFFFAOYSA-N -1 3 297.420 3.271 20 0 CGADHM CC[C@@H](COC(=O)c1cc2sccc2c([O-])c1)OC ZINC000842098513 635286411 /nfs/dbraw/zinc/28/64/11/635286411.db2.gz UMBVZZQDJRBZHO-JTQLQIEISA-N -1 3 280.345 3.189 20 0 CGADHM COc1ccc2c(c1)CCCN2C(=O)c1cc(C)ccc1[O-] ZINC000843784267 635780153 /nfs/dbraw/zinc/78/01/53/635780153.db2.gz GZPAVMZHGBAQHW-UHFFFAOYSA-N -1 3 297.354 3.302 20 0 CGADHM Cc1ccc(C(=O)NCC[C@@]2(C)C[C@@]2(F)Cl)c([O-])c1 ZINC000844817044 635969963 /nfs/dbraw/zinc/96/99/63/635969963.db2.gz NQAVZLPCMZXLHC-KBPBESRZSA-N -1 3 285.746 3.135 20 0 CGADHM CCO[N-]C(=O)Cc1cccc(OCc2cccc(C)c2)c1 ZINC000106018962 636089697 /nfs/dbraw/zinc/08/96/97/636089697.db2.gz LXHSXKOBQGGNMK-UHFFFAOYSA-N -1 3 299.370 3.184 20 0 CGADHM C/C(=C/CN1CCc2ccc(C(C)(C)C)cc2C1)C(=O)[O-] ZINC000846253809 636167289 /nfs/dbraw/zinc/16/72/89/636167289.db2.gz HAEGMFVPOWBVCI-QPEQYQDCSA-N -1 3 287.403 3.373 20 0 CGADHM CC[C@@H]1CN(C(=O)c2cc([O-])c3ccccc3c2)[C@H](C)CO1 ZINC000846434747 636185208 /nfs/dbraw/zinc/18/52/08/636185208.db2.gz SDIZBFXOMACBMS-IUODEOHRSA-N -1 3 299.370 3.185 20 0 CGADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@@H]3C=CCC3)nc2)n1 ZINC000882759368 636411324 /nfs/dbraw/zinc/41/13/24/636411324.db2.gz ZJBVXZYMWCEPBF-GFCCVEGCSA-N -1 3 296.374 3.185 20 0 CGADHM CC(C)(C)CC(=O)[N-]OCC[C@@H]1CCCC1(F)F ZINC000882992869 636496736 /nfs/dbraw/zinc/49/67/36/636496736.db2.gz UXWYEYZKGXAXQF-JTQLQIEISA-N -1 3 263.328 3.296 20 0 CGADHM CCCO[N-]C(=O)CCc1c(Cl)cccc1Cl ZINC000848238762 636545506 /nfs/dbraw/zinc/54/55/06/636545506.db2.gz UNTCDXGSOKGYGL-UHFFFAOYSA-N -1 3 276.163 3.384 20 0 CGADHM CC(C)Cc1nsc(NCc2c(F)ccc([O-])c2F)n1 ZINC000849348039 636818173 /nfs/dbraw/zinc/81/81/73/636818173.db2.gz YJWQYPQFALNJBD-UHFFFAOYSA-N -1 3 299.346 3.333 20 0 CGADHM CC(C)CO[N-]C(=O)CCc1ccc([C@@H]2C[C@H]2C)o1 ZINC000135338727 637119340 /nfs/dbraw/zinc/11/93/40/637119340.db2.gz VVGPOWPHJVYBMM-DGCLKSJQSA-N -1 3 265.353 3.039 20 0 CGADHM Cc1ccc(-c2cc(C(=O)OCC[C@@H]3CC3(F)F)n[n-]2)o1 ZINC000851378362 637372630 /nfs/dbraw/zinc/37/26/30/637372630.db2.gz AELMRJWRFNFXJC-SECBINFHSA-N -1 3 296.273 3.180 20 0 CGADHM Cc1ccc(-c2cc(C(=O)OCC[C@@H]3CC3(F)F)[n-]n2)o1 ZINC000851378362 637372635 /nfs/dbraw/zinc/37/26/35/637372635.db2.gz AELMRJWRFNFXJC-SECBINFHSA-N -1 3 296.273 3.180 20 0 CGADHM O=c1nc(-c2cccnn2)[n-]c2sc3c(c21)CCCCC3 ZINC000887315883 637794401 /nfs/dbraw/zinc/79/44/01/637794401.db2.gz DTTYNBINNYKKTC-UHFFFAOYSA-N -1 3 298.371 3.123 20 0 CGADHM CC[C@H](CO[N-]C(=O)Cc1ccc(C)cc1)CC(F)F ZINC000853662550 637885999 /nfs/dbraw/zinc/88/59/99/637885999.db2.gz JMSLDYKOHLDANP-LBPRGKRZSA-N -1 3 285.334 3.267 20 0 CGADHM COC(=O)C[C@@H](C)c1ccc(-c2ccc(=O)[n-]c2F)cc1 ZINC000854190082 638012965 /nfs/dbraw/zinc/01/29/65/638012965.db2.gz VTIJCLXELPJSTA-SNVBAGLBSA-N -1 3 289.306 3.260 20 0 CGADHM O=c1ccc(-c2ccc([C@@H](O)C3CC3)cc2)c(F)[n-]1 ZINC000854190218 638012995 /nfs/dbraw/zinc/01/29/95/638012995.db2.gz YCGDVOOELSMVBG-CQSZACIVSA-N -1 3 259.280 3.037 20 0 CGADHM O=C(c1cc([O-])ccc1Cl)N1CC[C@@H]1C1CCCC1 ZINC000889406807 638023301 /nfs/dbraw/zinc/02/33/01/638023301.db2.gz COZZMTCQNASOTG-CQSZACIVSA-N -1 3 279.767 3.450 20 0 CGADHM CCC(F)(F)C(=O)[N-][C@H](C)c1ccc(F)c(F)c1 ZINC000854247603 638032004 /nfs/dbraw/zinc/03/20/04/638032004.db2.gz YEUZYVHHHLKRAC-SSDOTTSWSA-N -1 3 263.234 3.187 20 0 CGADHM C[C@]1(CNC(=O)c2cc([O-])c3ccccc3c2)CC1(F)F ZINC000855799369 638252001 /nfs/dbraw/zinc/25/20/01/638252001.db2.gz VRUPGTCHYMSHLN-OAHLLOKOSA-N -1 3 291.297 3.321 20 0 CGADHM CC(C)N1CCC[C@@H]1c1nc(-c2ccc([O-])cc2F)no1 ZINC000924007234 638288633 /nfs/dbraw/zinc/28/86/33/638288633.db2.gz ZZBCYEZBHWVERM-CYBMUJFWSA-N -1 3 291.326 3.127 20 0 CGADHM O=C(CCSc1ccccc1)[N-]OCC1CCC1 ZINC000856342839 638345031 /nfs/dbraw/zinc/34/50/31/638345031.db2.gz OACCHRGIUGTCEB-UHFFFAOYSA-N -1 3 265.378 3.017 20 0 CGADHM CCCc1ncc(C(=O)[N-]c2ccnc(F)c2F)s1 ZINC000857697866 638556159 /nfs/dbraw/zinc/55/61/59/638556159.db2.gz HXILCTBRBJMOHV-UHFFFAOYSA-N -1 3 283.303 3.021 20 0 CGADHM CSCc1cccc(CNCc2ccoc2C(=O)[O-])c1 ZINC000859798070 639218409 /nfs/dbraw/zinc/21/84/09/639218409.db2.gz ZHVZIPSHUXAWAV-UHFFFAOYSA-N -1 3 291.372 3.131 20 0 CGADHM C[C@H](CC(=O)[N-]OCc1ccc(F)cc1)c1ccco1 ZINC000860804667 639431781 /nfs/dbraw/zinc/43/17/81/639431781.db2.gz FWLBKJJPUSNIAI-LLVKDONJSA-N -1 3 277.295 3.160 20 0 CGADHM CCO[N-]C(=O)C[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000155463934 639935962 /nfs/dbraw/zinc/93/59/62/639935962.db2.gz OOGOBTSSOZOZEZ-VIFPVBQESA-N -1 3 275.270 3.267 20 0 CGADHM CCO[N-]C(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000155463856 639936337 /nfs/dbraw/zinc/93/63/37/639936337.db2.gz OOGOBTSSOZOZEZ-SECBINFHSA-N -1 3 275.270 3.267 20 0 CGADHM O=C(C[C@@H]1C=CCCC1)[N-]OCc1ccc(F)cc1 ZINC000189237092 640177875 /nfs/dbraw/zinc/17/78/75/640177875.db2.gz UAALJOSVWRKWNL-GFCCVEGCSA-N -1 3 263.312 3.120 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CCOc3cc(C)ccc32)c1 ZINC000091673178 640718033 /nfs/dbraw/zinc/71/80/33/640718033.db2.gz KYSWZZSHSOWOJL-UHFFFAOYSA-N -1 3 297.354 3.302 20 0 CGADHM COc1ccc([C@H](C)NCc2cc(C(=O)[O-])cs2)cc1 ZINC000095005456 640808350 /nfs/dbraw/zinc/80/83/50/640808350.db2.gz SLRJETZTORFYML-JTQLQIEISA-N -1 3 291.372 3.306 20 0 CGADHM Cc1cccc(C(=O)Nc2ccc3oc(=O)ccc3c2)c1[O-] ZINC000097128009 640855777 /nfs/dbraw/zinc/85/57/77/640855777.db2.gz QBCGJPCPHVAKSI-UHFFFAOYSA-N -1 3 295.294 3.059 20 0 CGADHM Cn1c(-c2cc(F)ccc2[O-])nc2ccc(F)c(F)c21 ZINC001250837857 805786029 /nfs/dbraw/zinc/78/60/29/805786029.db2.gz NQHJNLBCURGINE-UHFFFAOYSA-N -1 3 278.233 3.363 20 0 CGADHM COc1ccc2nc(-c3cc([O-])c(F)c(F)c3)[nH]c2c1 ZINC001251240059 805868283 /nfs/dbraw/zinc/86/82/83/805868283.db2.gz OFYPPNHTPWBHPO-UHFFFAOYSA-N -1 3 276.242 3.222 20 0 CGADHM Cc1ncc(-c2nc3c([n-]2)c(F)c(F)c(F)c3F)o1 ZINC001251329822 805883870 /nfs/dbraw/zinc/88/38/70/805883870.db2.gz IHQXCULQNNNZMQ-UHFFFAOYSA-N -1 3 271.173 3.083 20 0 CGADHM CN(C)c1ccc2[n-]c(C3OC=CC3=S)nc2c1 ZINC001251546644 805906346 /nfs/dbraw/zinc/90/63/46/805906346.db2.gz FQBYDUAIYCHVTI-UHFFFAOYSA-N -1 3 259.334 3.178 20 0 CGADHM [O-]c1cccc(NC[C@@H](O)c2ccc(F)c(F)c2)c1Cl ZINC001253366255 806210237 /nfs/dbraw/zinc/21/02/37/806210237.db2.gz OKACIUWSEVNAOM-CYBMUJFWSA-N -1 3 299.704 3.469 20 0 CGADHM CCCCC[C@@H](O)CNc1c([O-])cc(F)cc1F ZINC001253544235 806246213 /nfs/dbraw/zinc/24/62/13/806246213.db2.gz KBOQKXLIBRRUKT-SNVBAGLBSA-N -1 3 259.296 3.024 20 0 CGADHM CCCS(=O)(=O)[N-]c1c(F)cccc1OCC(C)C ZINC001253711180 806282095 /nfs/dbraw/zinc/28/20/95/806282095.db2.gz RQHRBGVXLGLKPB-UHFFFAOYSA-N -1 3 289.372 3.012 20 0 CGADHM CCCc1nnc(-c2c([O-])cnc3ccc(C)cc32)o1 ZINC001253951915 806321989 /nfs/dbraw/zinc/32/19/89/806321989.db2.gz QATISNQOJRMARA-UHFFFAOYSA-N -1 3 269.304 3.251 20 0 CGADHM [O-]c1ccc2ccccc2c1-c1nnc(C2CC2)o1 ZINC001254059154 806335391 /nfs/dbraw/zinc/33/53/91/806335391.db2.gz JBINUYNDJXLTOL-UHFFFAOYSA-N -1 3 252.273 3.473 20 0 CGADHM CC(C)CCc1cn(-c2ccc(Cl)cc2[O-])nn1 ZINC001254165347 806356935 /nfs/dbraw/zinc/35/69/35/806356935.db2.gz XXOQAWNEHZZUQT-UHFFFAOYSA-N -1 3 265.744 3.215 20 0 CGADHM [O-]c1cc(Cl)ccc1-n1cc(-c2ccccc2F)nn1 ZINC001254165379 806357655 /nfs/dbraw/zinc/35/76/55/806357655.db2.gz ZBSJXVIYCPKYIW-UHFFFAOYSA-N -1 3 289.697 3.432 20 0 CGADHM CC(C)c1ccc(-c2nnc(-c3cc(=O)[n-]cn3)o2)cc1 ZINC001254823690 806491906 /nfs/dbraw/zinc/49/19/06/806491906.db2.gz GGPREQMANZZBPW-UHFFFAOYSA-N -1 3 282.303 3.023 20 0 CGADHM Cc1ccc(NC[C@H]2CCCC[C@H]2C)cc1-c1nnn[n-]1 ZINC001162529486 806613309 /nfs/dbraw/zinc/61/33/09/806613309.db2.gz AWPNQVJLIQFTFJ-DGCLKSJQSA-N -1 3 285.395 3.413 20 0 CGADHM Cc1ccc(NC[C@H]2CCCC[C@H]2C)cc1-c1nn[n-]n1 ZINC001162529486 806613314 /nfs/dbraw/zinc/61/33/14/806613314.db2.gz AWPNQVJLIQFTFJ-DGCLKSJQSA-N -1 3 285.395 3.413 20 0 CGADHM Nc1ccc(F)cc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000082699525 798937324 /nfs/dbraw/zinc/93/73/24/798937324.db2.gz QCXJYVCNJWPHCJ-UHFFFAOYSA-N -1 3 280.686 3.019 20 0 CGADHM CCCCCNC(=S)Nc1ccc([O-])c(F)c1 ZINC000169187402 799087183 /nfs/dbraw/zinc/08/71/83/799087183.db2.gz WIGJKDWCNTVKBV-UHFFFAOYSA-N -1 3 256.346 3.008 20 0 CGADHM N#Cc1ccc(CNCc2cccc([O-])c2Cl)cc1 ZINC000393381183 799486074 /nfs/dbraw/zinc/48/60/74/799486074.db2.gz NWFZZZRRQZQLGU-UHFFFAOYSA-N -1 3 272.735 3.207 20 0 CGADHM O=C(c1cc([O-])ccc1Cl)N1CCC=C(Cl)C1 ZINC000404558702 799578195 /nfs/dbraw/zinc/57/81/95/799578195.db2.gz VSGBHLSUYLHOFL-UHFFFAOYSA-N -1 3 272.131 3.014 20 0 CGADHM CCCCC[C@H](C)NC(=O)c1c([O-])cccc1OC ZINC000405261649 799582951 /nfs/dbraw/zinc/58/29/51/799582951.db2.gz PASZYONNTGQFJI-NSHDSACASA-N -1 3 265.353 3.099 20 0 CGADHM COc1cccc([O-])c1C(=O)N1CC[C@@H](c2ccccc2)C1 ZINC000405326353 799583063 /nfs/dbraw/zinc/58/30/63/799583063.db2.gz UMBIJEAMZFZTIQ-CQSZACIVSA-N -1 3 297.354 3.031 20 0 CGADHM COc1ccc([C@H](C)NCc2csc(C(=O)[O-])c2)cc1 ZINC000689094521 799760375 /nfs/dbraw/zinc/76/03/75/799760375.db2.gz RRTVLIJTJLJOTI-JTQLQIEISA-N -1 3 291.372 3.306 20 0 CGADHM CC(C)(NCc1csc(C(=O)[O-])c1)c1ccccc1 ZINC000689166495 799761339 /nfs/dbraw/zinc/76/13/39/799761339.db2.gz FHTHTSXXCUJPCT-UHFFFAOYSA-N -1 3 275.373 3.471 20 0 CGADHM O=C(NCC[C@@H]1C[C@H]1C1CC1)c1cc([O-])ccc1Cl ZINC000712840511 800099919 /nfs/dbraw/zinc/09/99/19/800099919.db2.gz CIWNJYQOPLMFAR-PWSUYJOCSA-N -1 3 279.767 3.212 20 0 CGADHM O=C([O-])c1ccc2c(c1)CN(CC[C@@H]1C[C@H]1C1CC1)C2 ZINC000715441484 800134910 /nfs/dbraw/zinc/13/49/10/800134910.db2.gz SHSWCHOAULQKBK-WBMJQRKESA-N -1 3 271.360 3.137 20 0 CGADHM O=C(NCCCCC1CC1)c1cc([O-])ccc1Cl ZINC000716379473 800170282 /nfs/dbraw/zinc/17/02/82/800170282.db2.gz OCGROKZBYJCTEW-UHFFFAOYSA-N -1 3 267.756 3.356 20 0 CGADHM [O-]c1ccc(CNc2cnn(C3CCCC3)c2)cc1F ZINC000722377245 800319382 /nfs/dbraw/zinc/31/93/82/800319382.db2.gz YKQOINBFXMAGFO-UHFFFAOYSA-N -1 3 275.327 3.455 20 0 CGADHM O=C(CC(C1CCC1)C1CCC1)[N-]OC/C=C\Cl ZINC000861782306 800526914 /nfs/dbraw/zinc/52/69/14/800526914.db2.gz AASNEQLPNKOSLG-BAQGIRSFSA-N -1 3 271.788 3.393 20 0 CGADHM CC1(Nc2cc(C(F)(F)F)[n-]c(=S)n2)CCC1 ZINC001164030350 806877172 /nfs/dbraw/zinc/87/71/72/806877172.db2.gz UZRBCJNHDGHZAG-UHFFFAOYSA-N -1 3 263.288 3.139 20 0 CGADHM CC(C)Cc1nnc(-c2cc([O-])ccc2Cl)o1 ZINC001256412091 806888699 /nfs/dbraw/zinc/88/86/99/806888699.db2.gz BZLFHEMGCXIJBL-UHFFFAOYSA-N -1 3 252.701 3.294 20 0 CGADHM O=S(=O)([N-]C1(CC2CC2)CC1)c1ccc(Cl)s1 ZINC001256555787 806914886 /nfs/dbraw/zinc/91/48/86/806914886.db2.gz RNDLXXZRCDKPLX-UHFFFAOYSA-N -1 3 291.825 3.013 20 0 CGADHM [O-]c1cc(F)c(CCNc2nc3ccccc3o2)c(F)c1 ZINC001164212620 806916890 /nfs/dbraw/zinc/91/68/90/806916890.db2.gz WOLZMUNFCRUPED-UHFFFAOYSA-N -1 3 290.269 3.466 20 0 CGADHM Cc1cc(C)c(C)c(NCC[N-]C(=O)C(F)(F)F)c1C ZINC001164246230 806922812 /nfs/dbraw/zinc/92/28/12/806922812.db2.gz UWQJSOYHXOWKDJ-UHFFFAOYSA-N -1 3 288.313 3.011 20 0 CGADHM S=C1Cc2ccc(NCc3ccc4nonc4c3)cc2[N-]1 ZINC001164352984 806938643 /nfs/dbraw/zinc/93/86/43/806938643.db2.gz KFSATCITSVTQKS-UHFFFAOYSA-N -1 3 296.355 3.130 20 0 CGADHM [O-]c1ccc(-c2nnc(CCC3CCCCC3)o2)nc1 ZINC001256788797 806978155 /nfs/dbraw/zinc/97/81/55/806978155.db2.gz YMIGTUKXLYAOPH-UHFFFAOYSA-N -1 3 273.336 3.350 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2c(C)cnn2CC2CC2)c1 ZINC001116446971 802354037 /nfs/dbraw/zinc/35/40/37/802354037.db2.gz POADZCINISYBRM-UHFFFAOYSA-N -1 3 299.374 3.122 20 0 CGADHM CC(C)O[N-]C(=O)CCc1nc2cc(Cl)ccc2s1 ZINC001117797059 802498103 /nfs/dbraw/zinc/49/81/03/802498103.db2.gz RHTQVMLBIOVHIP-UHFFFAOYSA-N -1 3 298.795 3.339 20 0 CGADHM C[C@@H]1CCCC[C@@]1(C)NC(=O)c1c[n-]c2ccccc2c1=O ZINC001121126541 802806366 /nfs/dbraw/zinc/80/63/66/802806366.db2.gz PRQYRLKVUQLCDO-KZULUSFZSA-N -1 3 298.386 3.227 20 0 CGADHM CC(C)Cc1nnc([N-]C(=O)c2cnoc2C(C)C)s1 ZINC001123506209 802950402 /nfs/dbraw/zinc/95/04/02/802950402.db2.gz WZPBTQMIYXSBKD-UHFFFAOYSA-N -1 3 294.380 3.100 20 0 CGADHM Cc1nnc([N-]C(=O)c2sccc2C(F)F)s1 ZINC001124402021 803021433 /nfs/dbraw/zinc/02/14/33/803021433.db2.gz YFERXPXTBIPNEI-UHFFFAOYSA-N -1 3 275.305 3.098 20 0 CGADHM O=c1ccc(-c2c([O-])cccc2Cl)cn1-c1ccncc1 ZINC001244047532 803159518 /nfs/dbraw/zinc/15/95/18/803159518.db2.gz JRHARXDVRISJMK-UHFFFAOYSA-N -1 3 298.729 3.259 20 0 CGADHM Fc1ccc(Cl)c(-c2ccccc2-c2nnn[n-]2)c1F ZINC001244307880 803289927 /nfs/dbraw/zinc/28/99/27/803289927.db2.gz MEGDPALBCMXZSD-UHFFFAOYSA-N -1 3 292.676 3.465 20 0 CGADHM Fc1ccc(Cl)c(-c2ccccc2-c2nn[n-]n2)c1F ZINC001244307880 803289930 /nfs/dbraw/zinc/28/99/30/803289930.db2.gz MEGDPALBCMXZSD-UHFFFAOYSA-N -1 3 292.676 3.465 20 0 CGADHM NC(=O)c1ccc(-c2ccc(Cl)cc2[O-])c2cc[nH]c21 ZINC001244471135 803386799 /nfs/dbraw/zinc/38/67/99/803386799.db2.gz DGWQUIMWVLHSOS-UHFFFAOYSA-N -1 3 286.718 3.293 20 0 CGADHM Cc1cc(-c2cnc3c(n2)CCCC3)cc([O-])c1F ZINC001244506576 803410413 /nfs/dbraw/zinc/41/04/13/803410413.db2.gz HDWBETUYIZOVBM-UHFFFAOYSA-N -1 3 258.296 3.176 20 0 CGADHM COc1cnc(-c2cc(C)c(F)c([O-])c2)c2[nH]ccc21 ZINC001244508005 803411619 /nfs/dbraw/zinc/41/16/19/803411619.db2.gz SFSYPOSPWDRDAY-UHFFFAOYSA-N -1 3 272.279 3.392 20 0 CGADHM Cc1cc(-c2ccc(=O)n(-c3ccccn3)c2)cc([O-])c1F ZINC001244526372 803419769 /nfs/dbraw/zinc/41/97/69/803419769.db2.gz ZTSAFOZAOQGLRX-UHFFFAOYSA-N -1 3 296.301 3.053 20 0 CGADHM Cc1cc(-c2ccc3c(c2)oc(=O)n3C)cc(Cl)c1[O-] ZINC001244538882 803426195 /nfs/dbraw/zinc/42/61/95/803426195.db2.gz ZPJWUIUOTPUIFR-UHFFFAOYSA-N -1 3 289.718 3.466 20 0 CGADHM [O-]c1ccc(Cl)c(-c2cccn3cncc23)c1F ZINC001244541968 803428996 /nfs/dbraw/zinc/42/89/96/803428996.db2.gz KJCLRGPPIFXSCP-UHFFFAOYSA-N -1 3 262.671 3.499 20 0 CGADHM COC(=O)c1ncc(-c2cc(Cl)ccc2[O-])cc1C ZINC001245050449 803622269 /nfs/dbraw/zinc/62/22/69/803622269.db2.gz GPKKFOPOWGAAFG-UHFFFAOYSA-N -1 3 277.707 3.203 20 0 CGADHM [O-]c1ccc(-c2ncc(F)c3nccnc32)c(Cl)c1 ZINC001245078469 803634173 /nfs/dbraw/zinc/63/41/73/803634173.db2.gz KEIUONKMGGSVIZ-UHFFFAOYSA-N -1 3 275.670 3.190 20 0 CGADHM Cc1nc2ncc(-c3ccc([O-])cc3Cl)nc2s1 ZINC001245079453 803634848 /nfs/dbraw/zinc/63/48/48/803634848.db2.gz SQMUUYSAMALXKH-UHFFFAOYSA-N -1 3 277.736 3.421 20 0 CGADHM [O-]c1ccc(-c2nccnc2C(F)F)c(Cl)c1 ZINC001245080686 803635278 /nfs/dbraw/zinc/63/52/78/803635278.db2.gz VDBZEEGLVOOYDD-UHFFFAOYSA-N -1 3 256.639 3.440 20 0 CGADHM CSc1ncc(F)c(-c2ccc([O-])cc2Cl)n1 ZINC001245081836 803636209 /nfs/dbraw/zinc/63/62/09/803636209.db2.gz MRFQEOZTKZHMEX-UHFFFAOYSA-N -1 3 270.716 3.364 20 0 CGADHM CSc1nccc(-c2ccc([O-])cc2Cl)n1 ZINC001245082642 803637526 /nfs/dbraw/zinc/63/75/26/803637526.db2.gz XUFCDTNNBPMOAK-UHFFFAOYSA-N -1 3 252.726 3.225 20 0 CGADHM Fc1ccc(Cl)c(-c2cc(-c3nnn[n-]3)ccc2F)c1 ZINC001245135235 803648437 /nfs/dbraw/zinc/64/84/37/803648437.db2.gz DFKSRHQQYWUMSJ-UHFFFAOYSA-N -1 3 292.676 3.465 20 0 CGADHM Fc1ccc(Cl)c(-c2cc(-c3nn[n-]n3)ccc2F)c1 ZINC001245135235 803648438 /nfs/dbraw/zinc/64/84/38/803648438.db2.gz DFKSRHQQYWUMSJ-UHFFFAOYSA-N -1 3 292.676 3.465 20 0 CGADHM CCC[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1[O-] ZINC001136622776 803648915 /nfs/dbraw/zinc/64/89/15/803648915.db2.gz RXNNBLTVSJKQHV-TZMCWYRMSA-N -1 3 261.365 3.481 20 0 CGADHM CCc1cccc(C(=O)N[C@H]2COc3ccc(C)cc32)c1[O-] ZINC001137330316 803716486 /nfs/dbraw/zinc/71/64/86/803716486.db2.gz JNYKLUJHAUFGPO-HNNXBMFYSA-N -1 3 297.354 3.127 20 0 CGADHM CC(=O)c1cccc(O)c1Nc1ccc([O-])c(F)c1F ZINC001212013687 814966653 /nfs/dbraw/zinc/96/66/53/814966653.db2.gz DWBWSUOLCLYSKI-UHFFFAOYSA-N -1 3 279.242 3.322 20 0 CGADHM O=C1NCc2cc(Nc3ccc([O-])c(F)c3F)ccc2N1 ZINC001212016353 814967595 /nfs/dbraw/zinc/96/75/95/814967595.db2.gz LYJJWFOPAFXLKC-UHFFFAOYSA-N -1 3 291.257 3.049 20 0 CGADHM Clc1cccc2[nH]c(-c3cncc(-c4nnn[n-]4)c3)cc21 ZINC001245578064 803830499 /nfs/dbraw/zinc/83/04/99/803830499.db2.gz NFUHIEYFEKZLIQ-UHFFFAOYSA-N -1 3 296.721 3.063 20 0 CGADHM Clc1cccc2[nH]c(-c3cncc(-c4nn[n-]n4)c3)cc21 ZINC001245578064 803830508 /nfs/dbraw/zinc/83/05/08/803830508.db2.gz NFUHIEYFEKZLIQ-UHFFFAOYSA-N -1 3 296.721 3.063 20 0 CGADHM COC(=O)c1nc2c(cccc2-c2c([O-])cccc2F)o1 ZINC001245656477 803889722 /nfs/dbraw/zinc/88/97/22/803889722.db2.gz RSJYNHXSNZCGEU-UHFFFAOYSA-N -1 3 287.246 3.126 20 0 CGADHM Fc1ccc(Cl)c(F)c1-c1ccc(=S)[n-]n1 ZINC001245720282 803927269 /nfs/dbraw/zinc/92/72/69/803927269.db2.gz PVLWPCOXJYAYKV-UHFFFAOYSA-N -1 3 258.680 3.364 20 0 CGADHM Cc1ncc([N-]c2nccnc2C(F)(F)F)s1 ZINC001212130365 814980765 /nfs/dbraw/zinc/98/07/65/814980765.db2.gz MFUWFWFXGHPOBL-UHFFFAOYSA-N -1 3 260.244 3.004 20 0 CGADHM Cc1nc2cncc(-c3c(F)ccc([O-])c3Cl)c2[nH]1 ZINC001245831172 803987410 /nfs/dbraw/zinc/98/74/10/803987410.db2.gz GCGMKQHHCICKPC-UHFFFAOYSA-N -1 3 277.686 3.431 20 0 CGADHM [O-]c1ccc(CN2CC[C@@H](c3ccccn3)C2)c(F)c1F ZINC001140894107 804544862 /nfs/dbraw/zinc/54/48/62/804544862.db2.gz QMXLIXHGKGUZPJ-LLVKDONJSA-N -1 3 290.313 3.055 20 0 CGADHM CN(Cc1ccccc1)Cc1cc(F)c([O-])c(F)c1 ZINC001140989515 804563505 /nfs/dbraw/zinc/56/35/05/804563505.db2.gz MJVZRZLVVZSTAT-UHFFFAOYSA-N -1 3 263.287 3.302 20 0 CGADHM O=C(CCCCc1cccc(O)c1)[N-]OCc1ccccc1 ZINC001141339304 804633112 /nfs/dbraw/zinc/63/31/12/804633112.db2.gz YYNPXOJNCOKCDI-UHFFFAOYSA-N -1 3 299.370 3.353 20 0 CGADHM CSc1ccc([O-])c(C(=O)N[C@@H](C)C2CCCC2)c1 ZINC001142070378 804694169 /nfs/dbraw/zinc/69/41/69/804694169.db2.gz MDFZVLUATLTPFH-JTQLQIEISA-N -1 3 279.405 3.423 20 0 CGADHM [O-]c1cc(Cl)c(CN2CCCC[C@@H]2CO)c(Cl)c1 ZINC001142101340 804694891 /nfs/dbraw/zinc/69/48/91/804694891.db2.gz CVHTXOLIZXKLLH-SECBINFHSA-N -1 3 290.190 3.046 20 0 CGADHM [O-]c1cc(Cl)c(CN2CC(C(F)F)C2)c(Cl)c1 ZINC001142122123 804696681 /nfs/dbraw/zinc/69/66/81/804696681.db2.gz KNXRZKIBOCEPJE-UHFFFAOYSA-N -1 3 282.117 3.396 20 0 CGADHM [O-]c1c(F)cc(F)cc1Nc1c(F)cnc(F)c1F ZINC001212477892 815034151 /nfs/dbraw/zinc/03/41/51/815034151.db2.gz PELFQHYIUSGBGR-UHFFFAOYSA-N -1 3 276.164 3.226 20 0 CGADHM CO[C@H](C(=O)Nc1cc([O-])cc(Cl)c1)c1ccccc1 ZINC001143106590 804802927 /nfs/dbraw/zinc/80/29/27/804802927.db2.gz SKBOZOCOQMOJQO-AWEZNQCLSA-N -1 3 291.734 3.372 20 0 CGADHM COc1c(F)ccc(Nc2cc(=O)[n-]c(C3CC3)n2)c1F ZINC001212494439 815040909 /nfs/dbraw/zinc/04/09/09/815040909.db2.gz KAWVVSQGPZUXAJ-UHFFFAOYSA-N -1 3 293.273 3.090 20 0 CGADHM Cc1ccc(-c2noc(Cc3ccc([O-])cc3F)n2)cc1 ZINC001248142605 804886667 /nfs/dbraw/zinc/88/66/67/804886667.db2.gz UAPKSGCDDHVFHY-UHFFFAOYSA-N -1 3 284.290 3.481 20 0 CGADHM Cc1ccccc1CCC(=O)Nc1ccc(F)c([O-])c1 ZINC001144435514 804988583 /nfs/dbraw/zinc/98/85/83/804988583.db2.gz LNTSARZHXXBLSI-UHFFFAOYSA-N -1 3 273.307 3.411 20 0 CGADHM [O-]c1cc(F)c(CN2CC[C@@H]3CCC[C@@H]3C2)c(F)c1 ZINC001144544858 805000025 /nfs/dbraw/zinc/00/00/25/805000025.db2.gz JNRHHFLGIOHIRK-WDEREUQCSA-N -1 3 267.319 3.292 20 0 CGADHM COCC[C@@H]1CCCCN1Cc1c(F)cc([O-])cc1F ZINC001144555016 805003396 /nfs/dbraw/zinc/00/33/96/805003396.db2.gz RBUBXWNAJQTCGI-NSHDSACASA-N -1 3 285.334 3.061 20 0 CGADHM [O-]c1cc(F)c(CN2CCCC3(CCC3)C2)cc1F ZINC001144663249 805027301 /nfs/dbraw/zinc/02/73/01/805027301.db2.gz AQAMCNXNOJKAGC-UHFFFAOYSA-N -1 3 267.319 3.437 20 0 CGADHM CN(Cc1sccc1C(=O)[O-])Cc1ccc(F)cc1 ZINC001144664272 805028970 /nfs/dbraw/zinc/02/89/70/805028970.db2.gz COOGAHHJJZGVKL-UHFFFAOYSA-N -1 3 279.336 3.217 20 0 CGADHM CN(CCc1cccs1)Cc1cc(F)c([O-])cc1F ZINC001144666738 805031246 /nfs/dbraw/zinc/03/12/46/805031246.db2.gz OFDLIVVNRYSELW-UHFFFAOYSA-N -1 3 283.343 3.406 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2cnc3c(C)cccn23)c1 ZINC001147286074 805119501 /nfs/dbraw/zinc/11/95/01/805119501.db2.gz DCCSBDUWTMZHCH-UHFFFAOYSA-N -1 3 295.342 3.163 20 0 CGADHM Cc1ccc(C(=O)NC2(CC(C)C)CCOCC2)c([O-])c1 ZINC001148507294 805191633 /nfs/dbraw/zinc/19/16/33/805191633.db2.gz MJTWKUVNPRMJMF-UHFFFAOYSA-N -1 3 291.391 3.026 20 0 CGADHM Cc1cnc(Cl)c(C(=O)Nc2cccc([O-])c2F)c1 ZINC001151092453 805281257 /nfs/dbraw/zinc/28/12/57/805281257.db2.gz HMXRKBURHRQLGM-UHFFFAOYSA-N -1 3 280.686 3.140 20 0 CGADHM O=C(Nc1cc([O-])cc(Cl)c1)c1ccc2ncncc2c1 ZINC001151774273 805312581 /nfs/dbraw/zinc/31/25/81/805312581.db2.gz MLHHHZWMXGMZAD-UHFFFAOYSA-N -1 3 299.717 3.241 20 0 CGADHM O=C(Nc1cc([O-])cc(Cl)c1)c1cnc2sccn12 ZINC001152222927 805339663 /nfs/dbraw/zinc/33/96/63/805339663.db2.gz PGDIWEKLOGYPPG-UHFFFAOYSA-N -1 3 293.735 3.007 20 0 CGADHM [O-]c1ccc(-c2nc(-c3cccc(Cl)c3F)no2)nc1 ZINC001212557867 815067809 /nfs/dbraw/zinc/06/78/09/815067809.db2.gz FBNMMMOZWVWBIN-UHFFFAOYSA-N -1 3 291.669 3.297 20 0 CGADHM O=C(Nc1ncccc1[O-])c1cscc1C(F)(F)F ZINC001154067101 805431431 /nfs/dbraw/zinc/43/14/31/805431431.db2.gz DCWFKVGSWFWUCH-UHFFFAOYSA-N -1 3 288.250 3.120 20 0 CGADHM COc1c(Cl)ccc(Nc2cnc(C)[n-]c2=O)c1F ZINC001212584050 815076888 /nfs/dbraw/zinc/07/68/88/815076888.db2.gz MJIYVMTYOPNSSQ-UHFFFAOYSA-N -1 3 283.690 3.035 20 0 CGADHM CCc1cc(Nc2cc(=O)[n-]c(C3CC3)n2)ccc1OC ZINC001250172930 805459130 /nfs/dbraw/zinc/45/91/30/805459130.db2.gz AUZZTLFZWDXCJB-UHFFFAOYSA-N -1 3 285.347 3.374 20 0 CGADHM O=c1cc(Nc2ccc(Cl)c([O-])c2)nc(C2CC2)[nH]1 ZINC001212588329 815077559 /nfs/dbraw/zinc/07/75/59/815077559.db2.gz KXTXDDURECEZBH-UHFFFAOYSA-N -1 3 277.711 3.162 20 0 CGADHM [O-]c1cc(Nc2ccnn2-c2ccncc2)ccc1Cl ZINC001212591374 815079494 /nfs/dbraw/zinc/07/94/94/815079494.db2.gz IYARZHYQUIDZKY-UHFFFAOYSA-N -1 3 286.722 3.370 20 0 CGADHM CNC(=O)c1ccccc1Nc1ccc(Cl)c([O-])c1 ZINC001212592190 815079524 /nfs/dbraw/zinc/07/95/24/815079524.db2.gz CRJGHKLKWCYZGZ-UHFFFAOYSA-N -1 3 276.723 3.149 20 0 CGADHM Cc1ccc2c(c1Nc1ccc(Cl)c([O-])c1)CNC2=O ZINC001212591282 815079895 /nfs/dbraw/zinc/07/98/95/815079895.db2.gz DTFVLKLVNFQRHN-UHFFFAOYSA-N -1 3 288.734 3.341 20 0 CGADHM CN1Cc2cc(Nc3ccc(Cl)c([O-])c3)ccc2C1=O ZINC001212592439 815079968 /nfs/dbraw/zinc/07/99/68/815079968.db2.gz PZEGAMLUPCBMDX-UHFFFAOYSA-N -1 3 288.734 3.375 20 0 CGADHM COC(=O)c1ccc(O)c(Nc2ccc(Cl)c([O-])c2)c1 ZINC001212592224 815080031 /nfs/dbraw/zinc/08/00/31/815080031.db2.gz FJDTXNLNDJSDER-UHFFFAOYSA-N -1 3 293.706 3.281 20 0 CGADHM O=C(Cc1cccc([O-])c1F)c1ccc(F)cc1F ZINC001250251636 805522397 /nfs/dbraw/zinc/52/23/97/805522397.db2.gz XHKYBECSEAYRSO-UHFFFAOYSA-N -1 3 266.218 3.235 20 0 CGADHM Cc1ccc(NC/C=C/c2ccccc2)cc1-c1nnn[n-]1 ZINC001166154048 807039177 /nfs/dbraw/zinc/03/91/77/807039177.db2.gz NCHLPBDXCNCUFU-VMPITWQZSA-N -1 3 291.358 3.300 20 0 CGADHM Cc1ccc(NC/C=C/c2ccccc2)cc1-c1nn[n-]n1 ZINC001166154048 807039185 /nfs/dbraw/zinc/03/91/85/807039185.db2.gz NCHLPBDXCNCUFU-VMPITWQZSA-N -1 3 291.358 3.300 20 0 CGADHM Cc1nc(Nc2ccc(C3CCOCC3)cc2)cc(=O)[n-]1 ZINC001212650692 815094980 /nfs/dbraw/zinc/09/49/80/815094980.db2.gz WMBADKKMHGYBGG-UHFFFAOYSA-N -1 3 285.347 3.128 20 0 CGADHM CC(C)(C)Cc1nnc(-c2nc3ccc(Cl)[n-]c-3n2)o1 ZINC001257848612 807225817 /nfs/dbraw/zinc/22/58/17/807225817.db2.gz NDFDHCIILYKGFE-UHFFFAOYSA-N -1 3 291.742 3.250 20 0 CGADHM CC(C)(C)Cc1nnc(-c2nc3nc(Cl)ccc3[n-]2)o1 ZINC001257848612 807225824 /nfs/dbraw/zinc/22/58/24/807225824.db2.gz NDFDHCIILYKGFE-UHFFFAOYSA-N -1 3 291.742 3.250 20 0 CGADHM CC(C)(C)Cc1nnc(-c2nc3ccc(Cl)nc3[n-]2)o1 ZINC001257848612 807225832 /nfs/dbraw/zinc/22/58/32/807225832.db2.gz NDFDHCIILYKGFE-UHFFFAOYSA-N -1 3 291.742 3.250 20 0 CGADHM Cc1cc(-c2noc(-c3cncc([O-])c3)n2)cc(C)c1F ZINC001212708290 815109506 /nfs/dbraw/zinc/10/95/06/815109506.db2.gz CPEFZZLYBAHOSA-UHFFFAOYSA-N -1 3 285.278 3.260 20 0 CGADHM Cc1ccccc1Cc1nnc(Cc2ccc([O-])cc2F)o1 ZINC001258404840 807441563 /nfs/dbraw/zinc/44/15/63/807441563.db2.gz TWDUCNUQQPEWJA-UHFFFAOYSA-N -1 3 298.317 3.404 20 0 CGADHM CC[C@@H](C)C[C@H](C)Nc1ccc(C)c(-c2nnn[n-]2)c1 ZINC001168695784 807485477 /nfs/dbraw/zinc/48/54/77/807485477.db2.gz VWAPRSQLCFDKJE-PWSUYJOCSA-N -1 3 273.384 3.412 20 0 CGADHM CC[C@@H](C)C[C@H](C)Nc1ccc(C)c(-c2nn[n-]n2)c1 ZINC001168695784 807485480 /nfs/dbraw/zinc/48/54/80/807485480.db2.gz VWAPRSQLCFDKJE-PWSUYJOCSA-N -1 3 273.384 3.412 20 0 CGADHM COc1ccc([O-])c(-c2nnc(CC3CCCC3)o2)c1 ZINC001258601878 807501293 /nfs/dbraw/zinc/50/12/93/807501293.db2.gz JGWBEHFTCKSORL-UHFFFAOYSA-N -1 3 274.320 3.184 20 0 CGADHM [O-]c1ccc(Cc2nnc(CC3CCCC3)o2)c(F)c1 ZINC001258640378 807520033 /nfs/dbraw/zinc/52/00/33/807520033.db2.gz JLWJEYUTRUVYMG-UHFFFAOYSA-N -1 3 276.311 3.238 20 0 CGADHM O=S(=O)([N-]c1ccccc1SC(F)(F)F)C1CC1 ZINC001259274876 807677355 /nfs/dbraw/zinc/67/73/55/807677355.db2.gz CREQZIIXBRRXRU-UHFFFAOYSA-N -1 3 297.323 3.203 20 0 CGADHM C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)C(C)(C)C ZINC001259471187 807678902 /nfs/dbraw/zinc/67/89/02/807678902.db2.gz HYMOSZDIQFAEAY-QMMMGPOBSA-N -1 3 293.791 3.192 20 0 CGADHM O=S(=O)([N-]c1cc2c(s1)CCCC2)C1CCCC1 ZINC001259794685 807684464 /nfs/dbraw/zinc/68/44/64/807684464.db2.gz LYKJUBFIUABZKY-UHFFFAOYSA-N -1 3 285.434 3.311 20 0 CGADHM CC(C)CS(=O)(=O)[N-]c1ccccc1-c1ccco1 ZINC001259886998 807692481 /nfs/dbraw/zinc/69/24/81/807692481.db2.gz IFPWVYYTIUKUBL-UHFFFAOYSA-N -1 3 279.361 3.344 20 0 CGADHM Cc1cc2cc(NCc3ncccc3[O-])ccc2[nH]1 ZINC001169733751 807700991 /nfs/dbraw/zinc/70/09/91/807700991.db2.gz YONLCNYUHWLCMY-UHFFFAOYSA-N -1 3 253.305 3.189 20 0 CGADHM C[C@@H]1C[C@H]1NC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC001169799063 807709958 /nfs/dbraw/zinc/70/99/58/807709958.db2.gz KKYPNZGDNWEQJI-CXAGYDPISA-N -1 3 295.382 3.316 20 0 CGADHM O=C([N-]c1c(F)ccnc1F)c1cnc(CC2CC2)s1 ZINC001262085019 807820225 /nfs/dbraw/zinc/82/02/25/807820225.db2.gz LQEPUPBSVPVHAK-UHFFFAOYSA-N -1 3 295.314 3.021 20 0 CGADHM COCOc1cccc(Nc2ncc(Cl)cc2[O-])c1 ZINC001212895857 815180117 /nfs/dbraw/zinc/18/01/17/815180117.db2.gz FWWFZXNSAIVTGG-UHFFFAOYSA-N -1 3 280.711 3.167 20 0 CGADHM CCCCCC[C@H](CCC)Nc1cnc(C)[n-]c1=O ZINC001172388772 808279809 /nfs/dbraw/zinc/27/98/09/808279809.db2.gz OKBYSYXHKBPBDP-KBPBESRZSA-N -1 3 265.401 3.113 20 0 CGADHM [O-]c1ccc(Nc2cccc3[nH]cnc32)c(F)c1F ZINC001213030798 815204321 /nfs/dbraw/zinc/20/43/21/815204321.db2.gz RKJCCOJHXBRHNZ-UHFFFAOYSA-N -1 3 261.231 3.290 20 0 CGADHM Cc1nc2ccc(Nc3ncc(F)cc3[O-])cc2o1 ZINC001213064980 815216347 /nfs/dbraw/zinc/21/63/47/815216347.db2.gz QQKWSSQEAGCHNC-UHFFFAOYSA-N -1 3 259.240 3.120 20 0 CGADHM O=c1cc(Nc2ccc(F)c(F)c2)nc(C2CC2)[n-]1 ZINC001173864246 808722464 /nfs/dbraw/zinc/72/24/64/808722464.db2.gz FDCYHKQRIKITSD-UHFFFAOYSA-N -1 3 263.247 3.081 20 0 CGADHM CS(=O)(=O)c1ccc(Nc2cccc([O-])c2Cl)cc1 ZINC001173943981 808776646 /nfs/dbraw/zinc/77/66/46/808776646.db2.gz OXDCSXLWCMMIFO-UHFFFAOYSA-N -1 3 297.763 3.193 20 0 CGADHM COc1ccc(Nc2cccc(Cl)c2[O-])cn1 ZINC001173961321 808788764 /nfs/dbraw/zinc/78/87/64/808788764.db2.gz SDSOVPJTEVEHCI-UHFFFAOYSA-N -1 3 250.685 3.193 20 0 CGADHM O=c1cc(Nc2ccc3c(c2)CCO3)[n-]n1-c1ccccc1 ZINC001174010095 808819136 /nfs/dbraw/zinc/81/91/36/808819136.db2.gz VXQVIWDKXGOYQA-UHFFFAOYSA-N -1 3 293.326 3.256 20 0 CGADHM Cn1cnc2ccc(Nc3cc(F)c([O-])cc3F)cc21 ZINC001174350242 808972099 /nfs/dbraw/zinc/97/20/99/808972099.db2.gz VBMNXLBPSYHPCB-UHFFFAOYSA-N -1 3 275.258 3.301 20 0 CGADHM Nc1ccc(Nc2c(F)cc([O-])cc2F)c(F)c1 ZINC001174483998 809038806 /nfs/dbraw/zinc/03/88/06/809038806.db2.gz WSSODSBHJINIAV-UHFFFAOYSA-N -1 3 254.211 3.135 20 0 CGADHM [O-]c1cc(Cl)cnc1Nc1cnn([C@@H]2CCCCO2)c1 ZINC001174597284 809097506 /nfs/dbraw/zinc/09/75/06/809097506.db2.gz GXWNMSJCAIKBOX-LBPRGKRZSA-N -1 3 294.742 3.080 20 0 CGADHM [O-]c1ccc(Nc2cc(F)ccc2O)c(F)c1F ZINC001174627025 809109321 /nfs/dbraw/zinc/10/93/21/809109321.db2.gz GFYRGZFIWGQGBP-UHFFFAOYSA-N -1 3 255.195 3.259 20 0 CGADHM NC(=O)c1ccc(Nc2ccc(C(F)F)cc2)cc1[O-] ZINC001174719278 809140831 /nfs/dbraw/zinc/14/08/31/809140831.db2.gz APZLKYRUVDDDKE-UHFFFAOYSA-N -1 3 278.258 3.172 20 0 CGADHM [O-]c1cc(F)cnc1Nc1cccc2cccnc21 ZINC001174858477 809179778 /nfs/dbraw/zinc/17/97/78/809179778.db2.gz IIFMWFUWASTDON-UHFFFAOYSA-N -1 3 255.252 3.218 20 0 CGADHM NC(=O)c1ccc(Nc2ccc3ccccc3c2)cc1[O-] ZINC001174876277 809185862 /nfs/dbraw/zinc/18/58/62/809185862.db2.gz UCSFPWHPNQFKGX-UHFFFAOYSA-N -1 3 278.311 3.388 20 0 CGADHM CN(C)c1ccc(Nc2cc(F)c([O-])cc2F)cc1 ZINC001174880974 809188622 /nfs/dbraw/zinc/18/86/22/809188622.db2.gz PJBZQYLPKSSMTR-UHFFFAOYSA-N -1 3 264.275 3.480 20 0 CGADHM [O-]c1c(F)cc(Nc2nccc3cnccc32)cc1F ZINC001213374841 815272231 /nfs/dbraw/zinc/27/22/31/815272231.db2.gz BVJRJDQJEBGQKP-UHFFFAOYSA-N -1 3 273.242 3.357 20 0 CGADHM CCOC(=O)c1occc1Nc1cc(F)c([O-])c(F)c1 ZINC001213375082 815272292 /nfs/dbraw/zinc/27/22/92/815272292.db2.gz OQKYEFPWRGFJSH-UHFFFAOYSA-N -1 3 283.230 3.184 20 0 CGADHM CCOc1cc(F)cc(Nc2ncc(F)cc2[O-])c1 ZINC001175001831 809234087 /nfs/dbraw/zinc/23/40/87/809234087.db2.gz CFXHSGRZEOENSH-UHFFFAOYSA-N -1 3 266.247 3.208 20 0 CGADHM [O-]c1c(F)cc(Nc2ncc(O)cc2Cl)cc1F ZINC001213377549 815273092 /nfs/dbraw/zinc/27/30/92/815273092.db2.gz SXEYXPYYHBIARE-UHFFFAOYSA-N -1 3 272.638 3.168 20 0 CGADHM CC(C)Cn1cnc(Nc2cc(F)c([O-])c(F)c2)c1 ZINC001213377189 815273364 /nfs/dbraw/zinc/27/33/64/815273364.db2.gz BRQSUNUYFDWOPS-UHFFFAOYSA-N -1 3 267.279 3.267 20 0 CGADHM CN(c1cccc(N)c1)c1cc(F)c([O-])c(F)c1 ZINC001213388903 815275212 /nfs/dbraw/zinc/27/52/12/815275212.db2.gz SCKHKQZZMNMXAG-UHFFFAOYSA-N -1 3 250.248 3.021 20 0 CGADHM Cc1c(F)ccc(N)c1Nc1cc(F)c([O-])c(F)c1 ZINC001213386400 815274640 /nfs/dbraw/zinc/27/46/40/815274640.db2.gz ANIHRSDSWQQOCU-UHFFFAOYSA-N -1 3 268.238 3.444 20 0 CGADHM COC(=O)c1ccccc1Nc1cc(F)c([O-])c(F)c1 ZINC001213384446 815274692 /nfs/dbraw/zinc/27/46/92/815274692.db2.gz MZNKPACBHXOIBQ-UHFFFAOYSA-N -1 3 279.242 3.201 20 0 CGADHM COC(=O)c1ccc(F)c(Nc2c(F)cc([O-])cc2F)c1 ZINC001175098112 809269748 /nfs/dbraw/zinc/26/97/48/809269748.db2.gz YMVCHHKVZKJZFV-UHFFFAOYSA-N -1 3 297.232 3.340 20 0 CGADHM C[C@H](O)c1cccc(Nc2c(F)cc([O-])cc2F)c1 ZINC001175100570 809271799 /nfs/dbraw/zinc/27/17/99/809271799.db2.gz RGAHTGFIECXVLR-QMMMGPOBSA-N -1 3 265.259 3.467 20 0 CGADHM Cc1cc(Nc2c(F)ccc([O-])c2F)cnc1F ZINC001175262530 809327880 /nfs/dbraw/zinc/32/78/80/809327880.db2.gz ISWBBFXWCOQXFK-UHFFFAOYSA-N -1 3 254.211 3.257 20 0 CGADHM Cn1cc2cc(Nc3c(F)ccc([O-])c3F)ccc2n1 ZINC001175265381 809330593 /nfs/dbraw/zinc/33/05/93/809330593.db2.gz NDHUFJSTMULEAS-UHFFFAOYSA-N -1 3 275.258 3.301 20 0 CGADHM Cc1c(O)cccc1Nc1c(F)ccc([O-])c1F ZINC001175267575 809331015 /nfs/dbraw/zinc/33/10/15/809331015.db2.gz AMHALWWPXXZJHJ-UHFFFAOYSA-N -1 3 251.232 3.428 20 0 CGADHM [O-]c1ccc(F)c(Nc2cnn(C(F)F)c2)c1F ZINC001175266240 809331130 /nfs/dbraw/zinc/33/11/30/809331130.db2.gz RTZPVVSWJYTHLJ-UHFFFAOYSA-N -1 3 261.178 3.006 20 0 CGADHM Cc1cccc(Nc2c(F)ccc([O-])c2F)c1O ZINC001175265977 809331562 /nfs/dbraw/zinc/33/15/62/809331562.db2.gz RQAPJQSPXBAIHB-UHFFFAOYSA-N -1 3 251.232 3.428 20 0 CGADHM Cc1cc(Nc2c(F)ccc([O-])c2F)ccc1CO ZINC001175270371 809334822 /nfs/dbraw/zinc/33/48/22/809334822.db2.gz YVGAZMUXUCUYGC-UHFFFAOYSA-N -1 3 265.259 3.215 20 0 CGADHM c1coc(-c2nnc([N-]c3ccc(N4CCCC4)nc3)o2)c1 ZINC001175345854 809369145 /nfs/dbraw/zinc/36/91/45/809369145.db2.gz GRTITOYBUALBOI-UHFFFAOYSA-N -1 3 297.318 3.068 20 0 CGADHM COc1ncc(Nc2cccc([O-])c2Cl)s1 ZINC001175394544 809389132 /nfs/dbraw/zinc/38/91/32/809389132.db2.gz PUXDJLKLBGSBMD-UHFFFAOYSA-N -1 3 256.714 3.254 20 0 CGADHM C=Cc1ccc(Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001175429027 809401695 /nfs/dbraw/zinc/40/16/95/809401695.db2.gz FZBKOJFLQSYFLA-UHFFFAOYSA-N -1 3 263.304 3.253 20 0 CGADHM NC(=O)c1ccc(Nc2ccc(C3CC3)cc2F)cc1[O-] ZINC001213464329 815286271 /nfs/dbraw/zinc/28/62/71/815286271.db2.gz ILUBBMRQTQIMDJ-UHFFFAOYSA-N -1 3 286.306 3.251 20 0 CGADHM Cc1cccc([O-])c1C(=O)Nc1ccc(-c2c[nH]cn2)cc1 ZINC001290324285 809406542 /nfs/dbraw/zinc/40/65/42/809406542.db2.gz AQAKQDSMVIMGPS-UHFFFAOYSA-N -1 3 293.326 3.343 20 0 CGADHM O=C(CCc1cccc(O)c1)Nc1cc(Cl)ccc1[O-] ZINC001295350679 809485920 /nfs/dbraw/zinc/48/59/20/809485920.db2.gz JVFSYWDYAUGQNS-UHFFFAOYSA-N -1 3 291.734 3.323 20 0 CGADHM Cc1[nH]nc2cc([N-]c3nnc(C(C)(C)C)o3)ccc21 ZINC001175659944 809495818 /nfs/dbraw/zinc/49/58/18/809495818.db2.gz RLEMWSDMXBSJIE-UHFFFAOYSA-N -1 3 271.324 3.295 20 0 CGADHM Cc1n[nH]c2cc([N-]c3nnc(C(C)(C)C)o3)ccc12 ZINC001175659944 809495822 /nfs/dbraw/zinc/49/58/22/809495822.db2.gz RLEMWSDMXBSJIE-UHFFFAOYSA-N -1 3 271.324 3.295 20 0 CGADHM Cc1nc(N)ncc1Nc1cc(Cl)c([O-])cc1Cl ZINC001175671954 809500445 /nfs/dbraw/zinc/50/04/45/809500445.db2.gz ZSNNCGOISLLDLG-UHFFFAOYSA-N -1 3 285.134 3.123 20 0 CGADHM CCc1ccc(C(=O)NC[C@H]2CC[C@@H](C)C2)c([O-])c1 ZINC001297382504 809517289 /nfs/dbraw/zinc/51/72/89/809517289.db2.gz VDWYMCKKEVTYLP-YPMHNXCESA-N -1 3 261.365 3.121 20 0 CGADHM O=C(Cc1cc(F)ccc1O)Nc1c([O-])cccc1Cl ZINC001298551339 809533930 /nfs/dbraw/zinc/53/39/30/809533930.db2.gz ZLFMVSBKJALWSP-UHFFFAOYSA-N -1 3 295.697 3.072 20 0 CGADHM Fc1ccc([N-]c2nc3cccc(C(F)(F)F)n3n2)nc1 ZINC001175849690 809556988 /nfs/dbraw/zinc/55/69/88/809556988.db2.gz REIATXVUOYGTSD-UHFFFAOYSA-N -1 3 297.215 3.026 20 0 CGADHM O=C(Cc1coc2cc3c(cc12)CCC3)[N-]OCC1CCC1 ZINC001301102555 809579174 /nfs/dbraw/zinc/57/91/74/809579174.db2.gz IIVSUVJSZMMLGP-UHFFFAOYSA-N -1 3 299.370 3.312 20 0 CGADHM COc1cc(Cl)cc(Nc2ncc(F)cc2[O-])c1 ZINC001176342463 809673495 /nfs/dbraw/zinc/67/34/95/809673495.db2.gz NWPHNEPAJAQHNZ-UHFFFAOYSA-N -1 3 268.675 3.332 20 0 CGADHM CC(C)Oc1ccc(Cl)cc1Nc1cnc[n-]c1=O ZINC001176642940 809736349 /nfs/dbraw/zinc/73/63/49/809736349.db2.gz OEJAJLFOQMQAQE-UHFFFAOYSA-N -1 3 279.727 3.366 20 0 CGADHM Cc1ncc(Nc2cccc(OCC(C)C)c2)c(=O)[n-]1 ZINC001213639981 815315797 /nfs/dbraw/zinc/31/57/97/815315797.db2.gz HNNJRCUVAMFXCE-UHFFFAOYSA-N -1 3 273.336 3.269 20 0 CGADHM Cc1ccc([O-])c(-c2nc(-c3ccc(C)c(C)c3)no2)n1 ZINC001213697814 815323020 /nfs/dbraw/zinc/32/30/20/815323020.db2.gz FHOIJLSZZYRGED-UHFFFAOYSA-N -1 3 281.315 3.429 20 0 CGADHM Cc1ccc([O-])c(-c2nc(-c3ccccc3C)no2)n1 ZINC001213699501 815323364 /nfs/dbraw/zinc/32/33/64/815323364.db2.gz MPJIZEOTPLQPDO-UHFFFAOYSA-N -1 3 267.288 3.121 20 0 CGADHM Cc1ccc(CC(=O)Nc2ccc(F)c([O-])c2)cc1F ZINC001179939175 809960897 /nfs/dbraw/zinc/96/08/97/809960897.db2.gz UCTDBPHPWHUTCR-UHFFFAOYSA-N -1 3 277.270 3.160 20 0 CGADHM O=C(Nc1ccc(F)c([O-])c1)[C@H](F)c1ccccc1 ZINC001180149725 809978907 /nfs/dbraw/zinc/97/89/07/809978907.db2.gz YAMDHIGVMCSJAE-CYBMUJFWSA-N -1 3 263.243 3.181 20 0 CGADHM COc1cccc(Nc2cnc(C)[n-]c2=O)c1C1CC1 ZINC001213803194 815334151 /nfs/dbraw/zinc/33/41/51/815334151.db2.gz XAIKMAVPVGFCGB-UHFFFAOYSA-N -1 3 271.320 3.120 20 0 CGADHM [O-]c1cc(Br)cnc1CNCC1=CCCCC1 ZINC001182108630 810093219 /nfs/dbraw/zinc/09/32/19/810093219.db2.gz FRFZPNLPMNRNOG-UHFFFAOYSA-N -1 3 297.196 3.140 20 0 CGADHM O=C(Nc1ccc(F)c([O-])c1)[C@H]1C[C@@H]1c1ccccc1F ZINC001182287652 810102454 /nfs/dbraw/zinc/10/24/54/810102454.db2.gz SGHOAPIHDLYLEN-NEPJUHHUSA-N -1 3 289.281 3.413 20 0 CGADHM CC[C@@H](C(=O)OC(C)(C)C)N(C)Cc1ccc([O-])c(F)c1 ZINC001182667679 810120099 /nfs/dbraw/zinc/12/00/99/810120099.db2.gz YMUNBTWECVBZOU-ZDUSSCGKSA-N -1 3 297.370 3.083 20 0 CGADHM CC(=O)c1cccc([O-])c1NC(=O)Cc1cccc(C)c1C ZINC001183258204 810142919 /nfs/dbraw/zinc/14/29/19/810142919.db2.gz VCUZTHFRFLRMLG-UHFFFAOYSA-N -1 3 297.354 3.393 20 0 CGADHM CC(C)(C(=O)Nc1ccc(F)c([O-])c1)c1ccc(O)cc1 ZINC001183782625 810160943 /nfs/dbraw/zinc/16/09/43/810160943.db2.gz RWFNWXDVZJUZBG-UHFFFAOYSA-N -1 3 289.306 3.153 20 0 CGADHM O=c1cc(Nc2ccc3sccc3c2)[nH]c(=S)[n-]1 ZINC001213926104 815346896 /nfs/dbraw/zinc/34/68/96/815346896.db2.gz IYAGRULEXLGOFP-UHFFFAOYSA-N -1 3 275.358 3.429 20 0 CGADHM CC(=O)c1cccc([O-])c1NC(=O)[C@H]1CCC[C@H](C)C1 ZINC001184511734 810206456 /nfs/dbraw/zinc/20/64/56/810206456.db2.gz RANOXQMLERAUJG-JQWIXIFHSA-N -1 3 275.348 3.360 20 0 CGADHM C=Cc1ccc(C(=O)Nc2ccc3[nH][n-]c(=O)c3c2)cc1 ZINC001186512576 810343933 /nfs/dbraw/zinc/34/39/33/810343933.db2.gz RSAKZMBFTRQLPP-UHFFFAOYSA-N -1 3 279.299 3.164 20 0 CGADHM O=S(=O)([N-]CCC1CCCCCCC1)c1ccco1 ZINC001186877478 810368740 /nfs/dbraw/zinc/36/87/40/810368740.db2.gz URTDDIBMJXDIIQ-UHFFFAOYSA-N -1 3 285.409 3.309 20 0 CGADHM O=c1[n-]c(-c2nc(-c3ccccc3Cl)no2)ccc1F ZINC001214085006 815366187 /nfs/dbraw/zinc/36/61/87/815366187.db2.gz CEAVBATVUPYQJA-UHFFFAOYSA-N -1 3 291.669 3.297 20 0 CGADHM CCc1cc(C(=O)Nc2ccc(F)c([O-])c2)cc(C)n1 ZINC001188343090 810478223 /nfs/dbraw/zinc/47/82/23/810478223.db2.gz JHLKYWJDDWFXNI-UHFFFAOYSA-N -1 3 274.295 3.049 20 0 CGADHM Cc1ncc(NC(=O)Nc2ccc3ccccc3c2)c(=O)[n-]1 ZINC001188584322 810490450 /nfs/dbraw/zinc/49/04/50/810490450.db2.gz TYWOHEVWXIJWKS-UHFFFAOYSA-N -1 3 294.314 3.288 20 0 CGADHM Cc1cccc([O-])c1C(=O)N(C)CCc1ccc(F)cc1 ZINC001188646187 810498534 /nfs/dbraw/zinc/49/85/34/810498534.db2.gz ALRYDDXIBRULFY-UHFFFAOYSA-N -1 3 287.334 3.154 20 0 CGADHM Cc1cccc([O-])c1C(=O)N(C)CC/C=C/c1cccnc1 ZINC001188648445 810498940 /nfs/dbraw/zinc/49/89/40/810498940.db2.gz JTXHBAGNKIZFJY-FPYGCLRLSA-N -1 3 296.370 3.271 20 0 CGADHM Cc1nc(NC(=O)Nc2cccc3ccccc32)cc(=O)[n-]1 ZINC001188910539 810523251 /nfs/dbraw/zinc/52/32/51/810523251.db2.gz WWKQPHPJRWJBLR-UHFFFAOYSA-N -1 3 294.314 3.288 20 0 CGADHM Cc1ccc(-c2ccccc2[N-]S(=O)(=O)CC2CC2)o1 ZINC001188974151 810529730 /nfs/dbraw/zinc/52/97/30/810529730.db2.gz QHMVOSGJINEBMX-UHFFFAOYSA-N -1 3 291.372 3.407 20 0 CGADHM Cc1coc(SCc2nnc(-c3ccccc3[O-])o2)n1 ZINC001189119863 810542760 /nfs/dbraw/zinc/54/27/60/810542760.db2.gz DTCDUFACAIVBBT-UHFFFAOYSA-N -1 3 289.316 3.031 20 0 CGADHM COCc1ccc(C(=O)Nc2cc([O-])cc(Cl)c2)o1 ZINC001189264220 810551964 /nfs/dbraw/zinc/55/19/64/810551964.db2.gz CAYRLAGDAWJJAV-UHFFFAOYSA-N -1 3 281.695 3.037 20 0 CGADHM O=C([N-]c1cnoc1)c1cc(F)c(F)c(C(F)(F)F)c1 ZINC001189338948 810559719 /nfs/dbraw/zinc/55/97/19/810559719.db2.gz DMDSHKXSYNCUAO-UHFFFAOYSA-N -1 3 292.163 3.224 20 0 CGADHM CC(C)c1ccccc1C(=O)Nc1ncccc1[O-] ZINC001190239323 810615028 /nfs/dbraw/zinc/61/50/28/810615028.db2.gz SSECDBDQGDKDCJ-UHFFFAOYSA-N -1 3 256.305 3.163 20 0 CGADHM CCC1(NC(=O)c2ccc(=O)[n-]c2Cl)CCCCC1 ZINC001190918477 810657045 /nfs/dbraw/zinc/65/70/45/810657045.db2.gz RPAXCVOZYKRDPE-UHFFFAOYSA-N -1 3 282.771 3.283 20 0 CGADHM CCC[C@@H]1CCCC[C@@H]1C[N-]C(=O)C(F)(F)F ZINC001191349754 810704470 /nfs/dbraw/zinc/70/44/70/810704470.db2.gz XKVBDROLCORAHJ-NXEZZACHSA-N -1 3 251.292 3.271 20 0 CGADHM CCCN(CCOC)C(=O)c1ccc(C(C)(C)C)cc1[O-] ZINC001192313637 810786220 /nfs/dbraw/zinc/78/62/20/810786220.db2.gz FVOPPJKHONGZNO-UHFFFAOYSA-N -1 3 293.407 3.188 20 0 CGADHM CC(C)(C)c1ccc(C(=O)N[C@@H]2C[C@H]2C2CC2)c([O-])c1 ZINC001192341285 810787897 /nfs/dbraw/zinc/78/78/97/810787897.db2.gz WJDWCSCBWZDCCQ-UONOGXRCSA-N -1 3 273.376 3.218 20 0 CGADHM O=C(NCc1ncccc1[O-])Nc1ccc2sccc2c1 ZINC001192469571 810800506 /nfs/dbraw/zinc/80/05/06/810800506.db2.gz HBIKGZBQKHQYCB-UHFFFAOYSA-N -1 3 299.355 3.324 20 0 CGADHM Cn1cnc([N-]c2c(Cl)cc(F)cc2Cl)n1 ZINC001214472963 815414186 /nfs/dbraw/zinc/41/41/86/815414186.db2.gz NNSLUVKNWCACIW-UHFFFAOYSA-N -1 3 261.087 3.005 20 0 CGADHM CC(=O)c1cccc(NC(=O)OCC(C)(C)C)c1[O-] ZINC001194385527 811064615 /nfs/dbraw/zinc/06/46/15/811064615.db2.gz RNYXFZGSLRVNCW-UHFFFAOYSA-N -1 3 265.309 3.189 20 0 CGADHM NC(=O)c1c(F)cccc1Nc1c(Cl)ccc([O-])c1F ZINC001214559995 815424469 /nfs/dbraw/zinc/42/44/69/815424469.db2.gz XFEMYLRTUAQMST-UHFFFAOYSA-N -1 3 298.676 3.166 20 0 CGADHM Cc1ncc(Nc2c(Cl)ccc([O-])c2F)cn1 ZINC001214556450 815423384 /nfs/dbraw/zinc/42/33/84/815423384.db2.gz SOGUHFOYBIIZJR-UHFFFAOYSA-N -1 3 253.664 3.027 20 0 CGADHM O=C(Nc1cncc([O-])c1)Oc1ccccc1C(F)(F)F ZINC001195174119 811223257 /nfs/dbraw/zinc/22/32/57/811223257.db2.gz JLXWAGMPWAUARN-UHFFFAOYSA-N -1 3 298.220 3.417 20 0 CGADHM Nc1ccc2cn(-c3c(Cl)ccc([O-])c3F)nc2c1 ZINC001214558961 815424693 /nfs/dbraw/zinc/42/46/93/815424693.db2.gz AIOGUZWQZGNLLY-UHFFFAOYSA-N -1 3 277.686 3.106 20 0 CGADHM COc1cnc(C(=O)[N-]c2cc3ccccc3s2)o1 ZINC001195790596 811291644 /nfs/dbraw/zinc/29/16/44/811291644.db2.gz XIJWWMJTVJZASZ-UHFFFAOYSA-N -1 3 274.301 3.150 20 0 CGADHM Cc1nc(NC2=CC[C@H](C(F)(F)F)CC2)cc(=O)[n-]1 ZINC001196769208 811365081 /nfs/dbraw/zinc/36/50/81/811365081.db2.gz ZTXLVSHSYMLXGI-QMMMGPOBSA-N -1 3 273.258 3.149 20 0 CGADHM CCCCNC(=S)Nc1c([O-])cccc1Cl ZINC001200459035 811694439 /nfs/dbraw/zinc/69/44/39/811694439.db2.gz NEEKAWZXNKBWAB-UHFFFAOYSA-N -1 3 258.774 3.132 20 0 CGADHM COc1c(F)cc(Nc2cc(=O)[n-]c(C)n2)cc1Cl ZINC001214966690 815470484 /nfs/dbraw/zinc/47/04/84/815470484.db2.gz XPNBGSFVBUDYEY-UHFFFAOYSA-N -1 3 283.690 3.035 20 0 CGADHM O=C(c1ccc(Nc2cncc([O-])c2)cc1)C1CC1 ZINC001201650013 811931243 /nfs/dbraw/zinc/93/12/43/811931243.db2.gz YWUGOCQQCPFLPR-UHFFFAOYSA-N -1 3 254.289 3.124 20 0 CGADHM CC(C)(C)c1nc([N-]c2ccc(C3CC3)nc2)no1 ZINC001201702966 811940578 /nfs/dbraw/zinc/94/05/78/811940578.db2.gz SXQZNLKDICMQMM-UHFFFAOYSA-N -1 3 258.325 3.383 20 0 CGADHM COc1ccc([O-])c(-c2nc(-c3cnc(C)c(C)c3)no2)c1 ZINC001215155115 815489188 /nfs/dbraw/zinc/48/91/88/815489188.db2.gz BIRPVWDOFGTCEV-UHFFFAOYSA-N -1 3 297.314 3.130 20 0 CGADHM O=C(Nc1ccc(Cl)cc1Cl)Nc1cnc[n-]c1=O ZINC001202075308 812011064 /nfs/dbraw/zinc/01/10/64/812011064.db2.gz QMFGJKPYGUEXRA-UHFFFAOYSA-N -1 3 299.117 3.133 20 0 CGADHM O=C(Nc1cnc[n-]c1=O)Nc1c(Cl)cccc1Cl ZINC001202092721 812014731 /nfs/dbraw/zinc/01/47/31/812014731.db2.gz CMHUSQBDRAAFEW-UHFFFAOYSA-N -1 3 299.117 3.133 20 0 CGADHM CC(=O)c1cccc(NC(=O)Nc2ccc(F)cc2)c1[O-] ZINC001202354903 812072107 /nfs/dbraw/zinc/07/21/07/812072107.db2.gz QRJNUORFYBEUNR-UHFFFAOYSA-N -1 3 288.278 3.378 20 0 CGADHM Cc1ccc(NC(=O)NC(C)(C)C)c(Cl)c1[O-] ZINC001202478268 812103402 /nfs/dbraw/zinc/10/34/02/812103402.db2.gz CUFXHDJSENABSF-UHFFFAOYSA-N -1 3 256.733 3.274 20 0 CGADHM CC(=O)c1cccc([O-])c1NC(=O)NC1CCCCC1 ZINC001202616162 812137470 /nfs/dbraw/zinc/13/74/70/812137470.db2.gz ATOVDAGRBOSWRJ-UHFFFAOYSA-N -1 3 276.336 3.049 20 0 CGADHM CC(=O)c1cc(-c2nc(-c3ccnc(C)c3)no2)ccc1[O-] ZINC001215364976 815509884 /nfs/dbraw/zinc/50/98/84/815509884.db2.gz HLCVLVTUNHNPPN-UHFFFAOYSA-N -1 3 295.298 3.015 20 0 CGADHM Cc1cnc(C)c(Nc2cc(F)c([O-])cc2F)c1 ZINC001203663385 812420702 /nfs/dbraw/zinc/42/07/02/812420702.db2.gz JISOUCKZEWQSNB-UHFFFAOYSA-N -1 3 250.248 3.426 20 0 CGADHM [O-]c1cc(F)c(Nc2cnccc2OC(F)F)cc1F ZINC001215572838 815538295 /nfs/dbraw/zinc/53/82/95/815538295.db2.gz YSZVQAXKBWNEDQ-UHFFFAOYSA-N -1 3 288.200 3.410 20 0 CGADHM Cn1c2ccccc2nc1Nc1cc(F)c([O-])cc1F ZINC001215570837 815536684 /nfs/dbraw/zinc/53/66/84/815536684.db2.gz XKJIJDKKNMOEGQ-UHFFFAOYSA-N -1 3 275.258 3.301 20 0 CGADHM [O-]c1cc(F)c(Nc2cc(Cl)nn3ccnc23)cc1F ZINC001215572390 815537758 /nfs/dbraw/zinc/53/77/58/815537758.db2.gz FMNKMWDOVUJMGO-UHFFFAOYSA-N -1 3 296.664 3.110 20 0 CGADHM [O-]c1cc(F)c(Nc2cc(O)c(F)cc2F)cc1F ZINC001215573123 815538779 /nfs/dbraw/zinc/53/87/79/815538779.db2.gz DMEDZBCFYKVQBS-UHFFFAOYSA-N -1 3 273.185 3.398 20 0 CGADHM Cc1ccc(OC(C)C)cc1Nc1cnc[n-]c1=O ZINC001215584112 815542863 /nfs/dbraw/zinc/54/28/63/815542863.db2.gz XNKDYAPRFCEFQH-UHFFFAOYSA-N -1 3 259.309 3.021 20 0 CGADHM Cc1cnc(-c2ccc([O-])cc2C(F)(F)F)nc1C ZINC001205080193 812851599 /nfs/dbraw/zinc/85/15/99/812851599.db2.gz NVGGZKZFXRNHJT-UHFFFAOYSA-N -1 3 268.238 3.485 20 0 CGADHM Cc1cccc2ncnc(-c3ccc([O-])cc3F)c12 ZINC001206029782 813171832 /nfs/dbraw/zinc/17/18/32/813171832.db2.gz JMDLIMLSTCOBQL-UHFFFAOYSA-N -1 3 254.264 3.450 20 0 CGADHM COc1cccc2cnc(-c3ccc([O-])cc3F)nc21 ZINC001206030527 813172893 /nfs/dbraw/zinc/17/28/93/813172893.db2.gz ZRXKHJVQBOCTSJ-UHFFFAOYSA-N -1 3 270.263 3.150 20 0 CGADHM [O-]c1ccc(-c2ccc(OC(F)F)cn2)c(F)c1 ZINC001206030025 813173122 /nfs/dbraw/zinc/17/31/22/813173122.db2.gz MDKULXWVGFQTSV-UHFFFAOYSA-N -1 3 255.195 3.195 20 0 CGADHM CCOC(=O)c1cc(C)cnc1-c1ccc([O-])cc1F ZINC001206030521 813173251 /nfs/dbraw/zinc/17/32/51/813173251.db2.gz ZNWXSWAACFQUDA-UHFFFAOYSA-N -1 3 275.279 3.078 20 0 CGADHM [O-]c1ccc(-c2ncnc3cc(F)cc(F)c32)c(F)c1 ZINC001206037687 813175149 /nfs/dbraw/zinc/17/51/49/813175149.db2.gz LANMIHARBXJJEB-UHFFFAOYSA-N -1 3 276.217 3.420 20 0 CGADHM COc1c(F)c(F)ccc1-c1ccc([O-])cc1F ZINC001206080299 813193516 /nfs/dbraw/zinc/19/35/16/813193516.db2.gz HYEPWGCWCZYKFT-UHFFFAOYSA-N -1 3 254.207 3.485 20 0 CGADHM CCOC[C@H]1CCCCN1Cc1ccc([O-])c(F)c1F ZINC001206240449 813251688 /nfs/dbraw/zinc/25/16/88/813251688.db2.gz ZKMLZZXQVKUEIP-GFCCVEGCSA-N -1 3 285.334 3.061 20 0 CGADHM Cc1ccc(Nc2cc(=O)n(-c3ccccc3)[n-]2)c(O)c1 ZINC001206262181 813261407 /nfs/dbraw/zinc/26/14/07/813261407.db2.gz QOKGGBYTFHCQLT-UHFFFAOYSA-N -1 3 281.315 3.336 20 0 CGADHM Cc1c2cc[nH]c2ncc1NCc1ccc([O-])c(F)c1 ZINC001207858116 813662081 /nfs/dbraw/zinc/66/20/81/813662081.db2.gz DSQBCOUXFUJCQV-UHFFFAOYSA-N -1 3 271.295 3.280 20 0 CGADHM Cc1ncc(Nc2ccc(OC(C)C)cc2F)c(=O)[n-]1 ZINC001209838296 814157604 /nfs/dbraw/zinc/15/76/04/814157604.db2.gz ZOENQWHECOKBBW-UHFFFAOYSA-N -1 3 277.299 3.161 20 0 CGADHM CN(C)c1ccccc1Nc1cc([O-])c(F)cc1F ZINC001209991514 814233968 /nfs/dbraw/zinc/23/39/68/814233968.db2.gz WGMSPDSQPDUKFB-UHFFFAOYSA-N -1 3 264.275 3.480 20 0 CGADHM [O-]c1c(Cl)cccc1Nc1cncc(Cl)n1 ZINC001210215307 814344889 /nfs/dbraw/zinc/34/48/89/814344889.db2.gz CYOCNCRKVAGNHZ-UHFFFAOYSA-N -1 3 256.092 3.233 20 0 CGADHM CCn1ncc(Nc2cccc(Cl)c2[O-])c1C ZINC001210216425 814347383 /nfs/dbraw/zinc/34/73/83/814347383.db2.gz WRYPKLKBVBYGAM-UHFFFAOYSA-N -1 3 251.717 3.314 20 0 CGADHM Nc1ccc(-c2nccn2-c2cccc(Cl)c2[O-])cc1 ZINC001210223137 814350170 /nfs/dbraw/zinc/35/01/70/814350170.db2.gz LCVBVINQCSRKGN-UHFFFAOYSA-N -1 3 285.734 3.481 20 0 CGADHM COc1ncc(Cl)cc1Nc1ncc(Cl)cc1[O-] ZINC001210451648 814463363 /nfs/dbraw/zinc/46/33/63/814463363.db2.gz MCWFCMGYNROIIP-UHFFFAOYSA-N -1 3 286.118 3.241 20 0 CGADHM CCOc1cncc(Nc2cc([O-])c(F)cc2F)c1 ZINC001210665169 814576642 /nfs/dbraw/zinc/57/66/42/814576642.db2.gz BLJBMTGZPOMPEZ-UHFFFAOYSA-N -1 3 266.247 3.208 20 0 CGADHM COC(=O)c1ccc(Nc2cccc([O-])c2Cl)cc1O ZINC001210854320 814652174 /nfs/dbraw/zinc/65/21/74/814652174.db2.gz OZELIVIYBRLCNO-UHFFFAOYSA-N -1 3 293.706 3.281 20 0 CGADHM [O-]c1cccc(Nc2cnn3c2OCC2(CC2)C3)c1Cl ZINC001210854938 814652186 /nfs/dbraw/zinc/65/21/86/814652186.db2.gz FWOYQVVHEHFCLZ-UHFFFAOYSA-N -1 3 291.738 3.158 20 0 CGADHM CSc1cc(Nc2cccc([O-])c2Cl)n(C)n1 ZINC001210853934 814652201 /nfs/dbraw/zinc/65/22/01/814652201.db2.gz QNRWLFAHBPYWPP-UHFFFAOYSA-N -1 3 269.757 3.245 20 0 CGADHM Nc1cccc(O)c1Nc1cccc([O-])c1Cl ZINC001210860552 814654963 /nfs/dbraw/zinc/65/49/63/814654963.db2.gz XSACGYHQEPUNAK-UHFFFAOYSA-N -1 3 250.685 3.077 20 0 CGADHM Cc1cccc2c1nc(N)n2-c1cccc([S-])c1 ZINC001210945725 814684781 /nfs/dbraw/zinc/68/47/81/814684781.db2.gz SMEDIPKEZGAWDE-UHFFFAOYSA-N -1 3 255.346 3.205 20 0 CGADHM Cc1cnc([N-]c2cccnc2C(=O)OC(C)(C)C)o1 ZINC001210955258 814692219 /nfs/dbraw/zinc/69/22/19/814692219.db2.gz ZIGXMRBHCCEXJP-UHFFFAOYSA-N -1 3 275.308 3.077 20 0 CGADHM CSc1ccc(Nc2ccc(C(N)=O)c([O-])c2)cc1F ZINC001211114650 814751185 /nfs/dbraw/zinc/75/11/85/814751185.db2.gz ZAASEHGACFZCJX-UHFFFAOYSA-N -1 3 292.335 3.096 20 0 CGADHM COC(=O)c1cc(C)cc(Nc2ncc(Cl)cc2[O-])c1 ZINC001211174615 814842023 /nfs/dbraw/zinc/84/20/23/814842023.db2.gz QALQCLZWNHGMGV-UHFFFAOYSA-N -1 3 292.722 3.279 20 0 CGADHM COc1cccc(C(C)=O)c1Nc1ccc(F)c([O-])c1 ZINC001211220909 814855169 /nfs/dbraw/zinc/85/51/69/814855169.db2.gz WURQWPTXLJICBQ-UHFFFAOYSA-N -1 3 275.279 3.486 20 0 CGADHM COCOc1ccccc1Nc1ccc([O-])c(F)c1F ZINC001211560457 814908094 /nfs/dbraw/zinc/90/80/94/814908094.db2.gz FWJNBMIMRRHBLP-UHFFFAOYSA-N -1 3 281.258 3.397 20 0 CGADHM CSc1cc(F)c(Nc2cc(=O)[n-]c(C)n2)cc1F ZINC001215966395 815645102 /nfs/dbraw/zinc/64/51/02/815645102.db2.gz NSQLGXMFOXLQHA-UHFFFAOYSA-N -1 3 283.303 3.234 20 0 CGADHM Cc1nc(Nc2ccc(F)c3ccoc32)cc(=O)[n-]1 ZINC001216294631 815769993 /nfs/dbraw/zinc/76/99/93/815769993.db2.gz BOMDQQQOGIUHHW-UHFFFAOYSA-N -1 3 259.240 3.120 20 0 CGADHM CC(C)c1nnc([N-]c2cncn2Cc2ccccc2)o1 ZINC001216550287 815854889 /nfs/dbraw/zinc/85/48/89/815854889.db2.gz UDSQPHGRSAKQCO-UHFFFAOYSA-N -1 3 283.335 3.181 20 0 CGADHM Cc1noc2ccc(Nc3cc(=O)[n-]c(C4CC4)n3)cc12 ZINC001216637812 815883426 /nfs/dbraw/zinc/88/34/26/815883426.db2.gz LJDWPTNTIIYQMH-UHFFFAOYSA-N -1 3 282.303 3.253 20 0 CGADHM Cc1ccncc1-c1noc(-c2cc([O-])c(C)c(F)c2)n1 ZINC001216895237 815900310 /nfs/dbraw/zinc/90/03/10/815900310.db2.gz KRBFTUAXMZAQIC-UHFFFAOYSA-N -1 3 285.278 3.260 20 0 CGADHM [O-]c1ccc(-c2nc(-c3cccnc3)no2)c2cccnc12 ZINC001217491737 815929371 /nfs/dbraw/zinc/92/93/71/815929371.db2.gz IBNJHACATUGAER-UHFFFAOYSA-N -1 3 290.282 3.052 20 0 CGADHM [O-]c1ccccc1Oc1ccccc1O[C@H]1C[C@@H](O)C1 ZINC001218421848 816207463 /nfs/dbraw/zinc/20/74/63/816207463.db2.gz CBGLMHNJOOPXAL-TXEJJXNPSA-N -1 3 272.300 3.087 20 0 CGADHM COc1cccc2c(-c3ccc(F)c([O-])c3)ncnc12 ZINC001243046899 823224121 /nfs/dbraw/zinc/22/41/21/823224121.db2.gz ADMAHWWMBCEUQE-UHFFFAOYSA-N -1 3 270.263 3.150 20 0 CGADHM CC1(c2ccc(-c3ccc(F)c([O-])c3)cc2)COC1 ZINC001243049749 823226691 /nfs/dbraw/zinc/22/66/91/823226691.db2.gz UCQXTROHVSEWME-UHFFFAOYSA-N -1 3 258.292 3.486 20 0 CGADHM COC(=O)c1nc2cccc(-c3ccc(F)c([O-])c3)c2o1 ZINC001243049796 823226981 /nfs/dbraw/zinc/22/69/81/823226981.db2.gz GBGZNNFDIRMFTH-UHFFFAOYSA-N -1 3 287.246 3.126 20 0 CGADHM [O-]c1cc(-c2cc(-c3ccccn3)ncn2)ccc1F ZINC001243050997 823227670 /nfs/dbraw/zinc/22/76/70/823227670.db2.gz ZJDBYPANUSTXRE-UHFFFAOYSA-N -1 3 267.263 3.050 20 0 CGADHM [O-]c1cc(-c2ccc(N3CCOCC3)cc2F)ccc1F ZINC001243051057 823227911 /nfs/dbraw/zinc/22/79/11/823227911.db2.gz KXUJDUMHWIFJJI-UHFFFAOYSA-N -1 3 291.297 3.174 20 0 CGADHM C[Si](C)(C)c1cccnc1-c1ccc(F)c([O-])c1 ZINC001243054773 823229935 /nfs/dbraw/zinc/22/99/35/823229935.db2.gz RYBRDOJXCCXCRS-UHFFFAOYSA-N -1 3 261.372 3.139 20 0 CGADHM COC(=O)c1cc(-c2ccc(F)c([O-])c2)c(OC)cc1C ZINC001243060963 823232157 /nfs/dbraw/zinc/23/21/57/823232157.db2.gz BJHIHBOZVKBEKQ-UHFFFAOYSA-N -1 3 290.290 3.302 20 0 CGADHM Cc1cnc(=S)[n-]c1O[C@@H](C)c1ccccc1F ZINC001225741795 817163990 /nfs/dbraw/zinc/16/39/90/817163990.db2.gz CDFDCRCQZNXYTP-VIFPVBQESA-N -1 3 264.325 3.353 20 0 CGADHM COc1ccc([C@@H](C)Oc2cc(C(C)=O)ccc2[O-])cn1 ZINC001225995266 817243436 /nfs/dbraw/zinc/24/34/36/817243436.db2.gz PMEBBVGCUBYUCR-LLVKDONJSA-N -1 3 287.315 3.138 20 0 CGADHM CO[C@@H](COc1cc(C(C)=O)ccc1[O-])c1ccccc1 ZINC001225999540 817244936 /nfs/dbraw/zinc/24/49/36/817244936.db2.gz XJVZFLAXXIPRGR-KRWDZBQOSA-N -1 3 286.327 3.361 20 0 CGADHM Cc1c(=O)[n-]cnc1O[C@@H]1Cc2cccc3cccc1c23 ZINC001226070958 817265229 /nfs/dbraw/zinc/26/52/29/817265229.db2.gz JNSMRYQMMUKNRL-CQSZACIVSA-N -1 3 278.311 3.320 20 0 CGADHM C[C@H](COC(C)(C)C)Oc1[n-]c(=S)ncc1C1CC1 ZINC001226116980 817277434 /nfs/dbraw/zinc/27/74/34/817277434.db2.gz IHWKGRMDCSFGSR-SECBINFHSA-N -1 3 282.409 3.225 20 0 CGADHM CCC[C@@H](Oc1[n-]c(=O)ncc1C(C)=O)c1ccccc1 ZINC001226238698 817307705 /nfs/dbraw/zinc/30/77/05/817307705.db2.gz XHNUQOGYXLJOKT-CQSZACIVSA-N -1 3 286.331 3.305 20 0 CGADHM Cc1nc(O[C@@H]2CCc3cc(Cl)ccc32)cc(=O)[n-]1 ZINC001226511109 817381808 /nfs/dbraw/zinc/38/18/08/817381808.db2.gz VGFKHEYTVJPMMA-GFCCVEGCSA-N -1 3 276.723 3.210 20 0 CGADHM CC(C)CCOC(=O)[C@@H](C)Oc1cccc([O-])c1Cl ZINC001226710100 817442051 /nfs/dbraw/zinc/44/20/51/817442051.db2.gz VUCUCJKYMCPHPN-SNVBAGLBSA-N -1 3 286.755 3.402 20 0 CGADHM Cc1cc(O[C@H](C)c2cccc(N(C)C)c2)[n-]c(=S)n1 ZINC001226797915 817468853 /nfs/dbraw/zinc/46/88/53/817468853.db2.gz FCGAZICALIMOGH-LLVKDONJSA-N -1 3 289.404 3.280 20 0 CGADHM S=c1nccc(O[C@H](c2ccccc2)c2ccccn2)[n-]1 ZINC001226939491 817511168 /nfs/dbraw/zinc/51/11/68/817511168.db2.gz ITOULQUSEISCDD-OAHLLOKOSA-N -1 3 295.367 3.329 20 0 CGADHM O=c1cc(O[C@@H]2Cc3cccc4cccc2c34)nc[n-]1 ZINC001226946905 817512463 /nfs/dbraw/zinc/51/24/63/817512463.db2.gz MANBWEQKZABTJJ-CYBMUJFWSA-N -1 3 264.284 3.012 20 0 CGADHM C[C@@H](Oc1cc(=O)[n-]cn1)c1ccc(Br)cc1 ZINC001226947806 817513805 /nfs/dbraw/zinc/51/38/05/817513805.db2.gz WJNCWPIXKPKLAQ-MRVPVSSYSA-N -1 3 295.136 3.085 20 0 CGADHM CCc1cnc(=S)[n-]c1O[C@H](C)c1cccnc1F ZINC001227060532 817546932 /nfs/dbraw/zinc/54/69/32/817546932.db2.gz CFSOCHGLDDMINN-MRVPVSSYSA-N -1 3 279.340 3.002 20 0 CGADHM C[C@H](Oc1ccc(=O)[n-]n1)c1c(Cl)cncc1Cl ZINC001227093151 817555001 /nfs/dbraw/zinc/55/50/01/817555001.db2.gz HKLLUMAQBGGLSE-LURJTMIESA-N -1 3 286.118 3.024 20 0 CGADHM CC[C@@H](COC)Oc1c([O-])cc(Br)cc1F ZINC001227589135 817677739 /nfs/dbraw/zinc/67/77/39/817677739.db2.gz ZVRQNYUAYKNZPG-QMMMGPOBSA-N -1 3 293.132 3.098 20 0 CGADHM S=c1nc2nc[n-]c2c(O[C@@H]2CCCc3ccccc32)[nH]1 ZINC001227612378 817681691 /nfs/dbraw/zinc/68/16/91/817681691.db2.gz BKYGWNYIDDHMCB-LLVKDONJSA-N -1 3 298.371 3.098 20 0 CGADHM CCC[C@H]1CCCC[C@@H]1Oc1nc(C(=O)OC)ccc1[O-] ZINC001227824454 817727846 /nfs/dbraw/zinc/72/78/46/817727846.db2.gz IJUGNDJKHQDTCR-FZMZJTMJSA-N -1 3 293.363 3.312 20 0 CGADHM CCCc1c([O-])ccc(C(C)=O)c1O[C@@H]1CCCOC1 ZINC001228130627 817819909 /nfs/dbraw/zinc/81/99/09/817819909.db2.gz CEMZERIULNHVHJ-GFCCVEGCSA-N -1 3 278.348 3.105 20 0 CGADHM CCCc1c([O-])ccc(C(C)=O)c1O[C@@H](CC)COC ZINC001228134445 817820488 /nfs/dbraw/zinc/82/04/88/817820488.db2.gz QWTBYTOSUPOROU-LBPRGKRZSA-N -1 3 280.364 3.351 20 0 CGADHM C[C@H](Oc1n[n-]c(-c2ccncc2)n1)c1ccccc1F ZINC001228696935 817977365 /nfs/dbraw/zinc/97/73/65/817977365.db2.gz GEEJBUCRAGIMSF-JTQLQIEISA-N -1 3 284.294 3.146 20 0 CGADHM CC[C@H](C)C[C@H](CC)Oc1nnc(-c2cccnc2)[n-]1 ZINC001228699094 817979423 /nfs/dbraw/zinc/97/94/23/817979423.db2.gz VLKKABYUNMFKLO-AAEUAGOBSA-N -1 3 274.368 3.460 20 0 CGADHM CC[C@H](C)C[C@H](CC)Oc1nc(-c2cccnc2)n[n-]1 ZINC001228699094 817979429 /nfs/dbraw/zinc/97/94/29/817979429.db2.gz VLKKABYUNMFKLO-AAEUAGOBSA-N -1 3 274.368 3.460 20 0 CGADHM CC[C@H](C)C[C@H](CC)Oc1n[n-]c(-c2cccnc2)n1 ZINC001228699094 817979430 /nfs/dbraw/zinc/97/94/30/817979430.db2.gz VLKKABYUNMFKLO-AAEUAGOBSA-N -1 3 274.368 3.460 20 0 CGADHM CCCC/C=C/[C@H](C)Oc1n[n-]c(-c2ccncc2)n1 ZINC001228700428 817979696 /nfs/dbraw/zinc/97/96/96/817979696.db2.gz RTXFOELXGXPYRM-SYTKJHMZSA-N -1 3 272.352 3.380 20 0 CGADHM C[C@@H]1CCC[C@H](Oc2n[n-]c(-c3ccncc3)n2)[C@H]1C ZINC001228699970 817980156 /nfs/dbraw/zinc/98/01/56/817980156.db2.gz MFGYFLKTVTUTLZ-MDZLAQPJSA-N -1 3 272.352 3.070 20 0 CGADHM O=C1CCc2cc([O-])c(O[C@@H](c3cccnc3)C3CC3)cc21 ZINC001228853352 818023896 /nfs/dbraw/zinc/02/38/96/818023896.db2.gz HYVFLXUNKAQDBF-GOSISDBHSA-N -1 3 295.338 3.446 20 0 CGADHM CN(Cc1cc(C(=O)[O-])ccc1F)C[C@H]1CC1(C)C ZINC001231461550 818102627 /nfs/dbraw/zinc/10/26/27/818102627.db2.gz XJJFVLASRHHOID-GFCCVEGCSA-N -1 3 265.328 3.002 20 0 CGADHM C[C@@]1(F)CCCN(Cc2cc(C(=O)[O-])ccc2F)CC1 ZINC001231456716 818103119 /nfs/dbraw/zinc/10/31/19/818103119.db2.gz GQCRBZDZKMMBMO-OAHLLOKOSA-N -1 3 283.318 3.238 20 0 CGADHM [O-]c1c(F)ccc(CN2C[C@H]3[C@H](CCC3(F)F)C2)c1F ZINC001232934183 818475676 /nfs/dbraw/zinc/47/56/76/818475676.db2.gz PUOFHEWSOJVVTG-SCZZXKLOSA-N -1 3 289.272 3.148 20 0 CGADHM CC1(C)CN(Cc2cccc([O-])c2F)CCC1(F)F ZINC001233051004 818510097 /nfs/dbraw/zinc/51/00/97/818510097.db2.gz XVVPIEAORHTGAN-UHFFFAOYSA-N -1 3 273.298 3.399 20 0 CGADHM COc1ccc(CN(C)Cc2cccnc2)c(Cl)c1[O-] ZINC001233397554 818610095 /nfs/dbraw/zinc/61/00/95/818610095.db2.gz DYRRWHFEWSEGOC-UHFFFAOYSA-N -1 3 292.766 3.081 20 0 CGADHM [O-]c1ccc(F)c(CN2CCCCC23CC3)c1F ZINC001233396382 818610163 /nfs/dbraw/zinc/61/01/63/818610163.db2.gz ZTONCWGAHVBLIW-UHFFFAOYSA-N -1 3 253.292 3.189 20 0 CGADHM [O-]c1ccc(F)c(CN2CC3CCC2CC3)c1F ZINC001233396112 818610548 /nfs/dbraw/zinc/61/05/48/818610548.db2.gz KKJLRPNCADZPNS-UHFFFAOYSA-N -1 3 253.292 3.045 20 0 CGADHM COc1ccc(CN2CCC(C)(F)CC2)c(Cl)c1[O-] ZINC001233397438 818611365 /nfs/dbraw/zinc/61/13/65/818611365.db2.gz ABXUEOJSIKNZOE-UHFFFAOYSA-N -1 3 287.762 3.378 20 0 CGADHM COC[C@@H](C)OC[C@H](C)Oc1cc(Cl)c([O-])cc1C ZINC001233591376 818652856 /nfs/dbraw/zinc/65/28/56/818652856.db2.gz GAINRVZFJZIPOC-MNOVXSKESA-N -1 3 288.771 3.173 20 0 CGADHM C[C@H]1CCC[C@H](C)C1Oc1ccc2occ([O-])c2c1 ZINC001233681125 818678448 /nfs/dbraw/zinc/67/84/48/818678448.db2.gz SIXCPOCGRCSNBN-QWRGUYRKSA-N -1 3 260.333 3.465 20 0 CGADHM Cc1ccc(OC[C@H](C)Oc2ccc3occ([O-])c3c2)cc1 ZINC001233681346 818678942 /nfs/dbraw/zinc/67/89/42/818678942.db2.gz VKNKQBCTTIZFMC-ZDUSSCGKSA-N -1 3 298.338 3.416 20 0 CGADHM Cc1cnc(F)c([C@H](C)Oc2ccc3occ([O-])c3c2)c1 ZINC001233681699 818679130 /nfs/dbraw/zinc/67/91/30/818679130.db2.gz YTUBBZWGNYRJLO-JTQLQIEISA-N -1 3 287.290 3.244 20 0 CGADHM COc1cc2[nH]cnc2cc1-c1ccc([O-])c(F)c1F ZINC001243342607 823356771 /nfs/dbraw/zinc/35/67/71/823356771.db2.gz KVKQSYBAFYVESI-UHFFFAOYSA-N -1 3 276.242 3.222 20 0 CGADHM COC(=O)CC1CCC(Oc2cccc([O-])c2F)CC1 ZINC001233870037 818721080 /nfs/dbraw/zinc/72/10/80/818721080.db2.gz SBKOIFOXEYHNQP-UHFFFAOYSA-N -1 3 282.311 3.032 20 0 CGADHM [O-]c1cccc(O[C@H]2COCc3ccccc32)c1F ZINC001233870823 818721889 /nfs/dbraw/zinc/72/18/89/818721889.db2.gz JAAKZPZUZBAFJW-AWEZNQCLSA-N -1 3 260.264 3.182 20 0 CGADHM Cn1c(-c2ccc(F)c(-c3nnn[n-]3)c2)cc2ccccc21 ZINC001243354413 823363135 /nfs/dbraw/zinc/36/31/35/823363135.db2.gz PNFYBOBAKFDPHU-UHFFFAOYSA-N -1 3 293.305 3.165 20 0 CGADHM Cn1c(-c2ccc(F)c(-c3nn[n-]n3)c2)cc2ccccc21 ZINC001243354413 823363141 /nfs/dbraw/zinc/36/31/41/823363141.db2.gz PNFYBOBAKFDPHU-UHFFFAOYSA-N -1 3 293.305 3.165 20 0 CGADHM CCC[C@H](Oc1cccc([O-])c1C(N)=O)C(C)(C)C ZINC001234148256 818791661 /nfs/dbraw/zinc/79/16/61/818791661.db2.gz GLFOKCRKIVXVBB-LBPRGKRZSA-N -1 3 265.353 3.085 20 0 CGADHM CC[C@@H](C)CC[C@H](C)Oc1cccc([O-])c1C(N)=O ZINC001234149362 818791684 /nfs/dbraw/zinc/79/16/84/818791684.db2.gz NUVUAIXZTHHXGS-MNOVXSKESA-N -1 3 265.353 3.085 20 0 CGADHM CC(C)N1CCC[C@H](Oc2c(Cl)ccc([O-])c2F)C1 ZINC001234263270 818820149 /nfs/dbraw/zinc/82/01/49/818820149.db2.gz VYCXMXRMXIBKIL-JTQLQIEISA-N -1 3 287.762 3.436 20 0 CGADHM COC[C@@H](C)OC[C@@H](C)Oc1c([O-])cc(Cl)cc1F ZINC001234443501 818855745 /nfs/dbraw/zinc/85/57/45/818855745.db2.gz HOMLPCUGEZUITF-RKDXNWHRSA-N -1 3 292.734 3.004 20 0 CGADHM [O-]c1cc(Cl)cc(F)c1O[C@@H]1COc2cnccc21 ZINC001234443584 818856312 /nfs/dbraw/zinc/85/63/12/818856312.db2.gz JPCDPNLHBWKSLV-GFCCVEGCSA-N -1 3 281.670 3.092 20 0 CGADHM COc1cc([O-])c(C)c(O[C@@H]2C[C@H]3C=C[C@@H]2C3)c1C(C)=O ZINC001234792087 818924332 /nfs/dbraw/zinc/92/43/32/818924332.db2.gz WBGMOLCMEXDFGK-OUCADQQQSA-N -1 3 288.343 3.255 20 0 CGADHM CCC(=O)[C@H](CC)Oc1c(C)c([O-])cc(OC)c1C(C)=O ZINC001234792295 818924845 /nfs/dbraw/zinc/92/48/45/818924845.db2.gz YGSAAMFHPRBCIL-ZDUSSCGKSA-N -1 3 294.347 3.048 20 0 CGADHM C[C@H](Oc1nc2ccsc2[n-]1)c1cccnc1F ZINC001234846308 818930601 /nfs/dbraw/zinc/93/06/01/818930601.db2.gz BCAFJBXILKQESX-ZETCQYMHSA-N -1 3 263.297 3.299 20 0 CGADHM C[C@H](Oc1nc2sccc2[n-]1)c1cccnc1F ZINC001234846308 818930605 /nfs/dbraw/zinc/93/06/05/818930605.db2.gz BCAFJBXILKQESX-ZETCQYMHSA-N -1 3 263.297 3.299 20 0 CGADHM Cc1cc(-c2nnn[n-]2)ccc1-c1ccc(N)c(Cl)c1 ZINC001243375647 823378570 /nfs/dbraw/zinc/37/85/70/823378570.db2.gz BNXMPIFTQRUBGG-UHFFFAOYSA-N -1 3 285.738 3.078 20 0 CGADHM Cc1cc(-c2nn[n-]n2)ccc1-c1ccc(N)c(Cl)c1 ZINC001243375647 823378576 /nfs/dbraw/zinc/37/85/76/823378576.db2.gz BNXMPIFTQRUBGG-UHFFFAOYSA-N -1 3 285.738 3.078 20 0 CGADHM [O-]c1cc(Cl)cc(-c2cnc(OCC3CC3)cn2)c1 ZINC001235908753 819217442 /nfs/dbraw/zinc/21/74/42/819217442.db2.gz KDRUSJMEPADDMW-UHFFFAOYSA-N -1 3 276.723 3.291 20 0 CGADHM c1cc(-c2nnn[n-]2)cc(-c2cccc(C3CC3)c2)c1 ZINC001236088692 819309185 /nfs/dbraw/zinc/30/91/85/819309185.db2.gz ZOQXXUDQIBAGHE-UHFFFAOYSA-N -1 3 262.316 3.411 20 0 CGADHM c1cc(-c2nn[n-]n2)cc(-c2cccc(C3CC3)c2)c1 ZINC001236088692 819309191 /nfs/dbraw/zinc/30/91/91/819309191.db2.gz ZOQXXUDQIBAGHE-UHFFFAOYSA-N -1 3 262.316 3.411 20 0 CGADHM FC(F)(F)[C@H]1CC=C(c2cncc(-c3nnn[n-]3)c2)CC1 ZINC001236255662 819406569 /nfs/dbraw/zinc/40/65/69/819406569.db2.gz ORRZXCBRAGQPQT-NSHDSACASA-N -1 3 295.268 3.008 20 0 CGADHM FC(F)(F)[C@H]1CC=C(c2cncc(-c3nn[n-]n3)c2)CC1 ZINC001236255662 819406572 /nfs/dbraw/zinc/40/65/72/819406572.db2.gz ORRZXCBRAGQPQT-NSHDSACASA-N -1 3 295.268 3.008 20 0 CGADHM CCOc1ccc(C)c(F)c1-c1ccc(-c2nnn[n-]2)cc1 ZINC001236536358 819526970 /nfs/dbraw/zinc/52/69/70/819526970.db2.gz CJYCPUMIIPQUMR-UHFFFAOYSA-N -1 3 298.321 3.380 20 0 CGADHM CCOc1ccc(C)c(F)c1-c1ccc(-c2nn[n-]n2)cc1 ZINC001236536358 819526973 /nfs/dbraw/zinc/52/69/73/819526973.db2.gz CJYCPUMIIPQUMR-UHFFFAOYSA-N -1 3 298.321 3.380 20 0 CGADHM [O-]c1cc(CN2C[C@H]3CC[C@@H]2C3)ccc1Br ZINC001236699779 819574642 /nfs/dbraw/zinc/57/46/42/819574642.db2.gz WNOQXTCMWUUVOQ-GXSJLCMTSA-N -1 3 282.181 3.139 20 0 CGADHM C[C@]1(F)CCCCN(Cc2ccc(F)c([O-])c2)C1 ZINC001236704324 819576779 /nfs/dbraw/zinc/57/67/79/819576779.db2.gz VTCLFAKOWOKCHH-AWEZNQCLSA-N -1 3 255.308 3.245 20 0 CGADHM CCOC(=O)Cc1ccnc(-c2cccc([O-])c2F)c1C ZINC001243541009 823435968 /nfs/dbraw/zinc/43/59/68/823435968.db2.gz BZNPVOJBFQMGJN-UHFFFAOYSA-N -1 3 289.306 3.007 20 0 CGADHM [O-]c1c(F)cc(CN2CC[C@@H]3OCCC[C@@H]3C2)cc1Cl ZINC001237989759 819902884 /nfs/dbraw/zinc/90/28/84/819902884.db2.gz KGEVNGYXJCCTCV-RISCZKNCSA-N -1 3 299.773 3.186 20 0 CGADHM [O-]c1cccc(-c2cnc(C(F)(F)F)cn2)c1F ZINC001243544754 823437159 /nfs/dbraw/zinc/43/71/59/823437159.db2.gz WPPLEGFUZKRFSY-UHFFFAOYSA-N -1 3 258.174 3.007 20 0 CGADHM CC(=O)O[C@H]1Cc2ccc(-c3cccc([O-])c3F)cc2C1 ZINC001243544950 823437253 /nfs/dbraw/zinc/43/72/53/823437253.db2.gz LFKTUWJKPWYLOQ-AWEZNQCLSA-N -1 3 286.302 3.229 20 0 CGADHM [O-]c1cccc(-c2ccc(-c3ccncc3)nn2)c1F ZINC001243544547 823437524 /nfs/dbraw/zinc/43/75/24/823437524.db2.gz RLYABWHIQOWASD-UHFFFAOYSA-N -1 3 267.263 3.050 20 0 CGADHM [O-]c1cccc(-c2cncnc2C(F)(F)F)c1F ZINC001243545858 823437865 /nfs/dbraw/zinc/43/78/65/823437865.db2.gz CQZHROBJSSFXDH-UHFFFAOYSA-N -1 3 258.174 3.007 20 0 CGADHM CCOC(=O)c1ccc(OC)c(-c2cccc([O-])c2F)c1 ZINC001243545909 823437983 /nfs/dbraw/zinc/43/79/83/823437983.db2.gz IOBKMRISIUTPAM-UHFFFAOYSA-N -1 3 290.290 3.384 20 0 CGADHM O=c1cc(-c2cccc([O-])c2F)ccn1-c1ccccc1 ZINC001243545901 823437999 /nfs/dbraw/zinc/43/79/99/823437999.db2.gz IIMAQRBSMGHBGT-UHFFFAOYSA-N -1 3 281.286 3.349 20 0 CGADHM COC(=O)c1cc(-c2cccc([O-])c2F)c(F)cc1F ZINC001243545748 823438134 /nfs/dbraw/zinc/43/81/34/823438134.db2.gz FSBJKYCOXVDLBK-UHFFFAOYSA-N -1 3 282.217 3.263 20 0 CGADHM COCc1cc(-c2cccc([O-])c2F)ccc1F ZINC001243545924 823438231 /nfs/dbraw/zinc/43/82/31/823438231.db2.gz RGWGIICFYZBEIL-UHFFFAOYSA-N -1 3 250.244 3.484 20 0 CGADHM COC(=O)c1cc(F)c(F)c(-c2cccc([O-])c2F)c1 ZINC001243546196 823438836 /nfs/dbraw/zinc/43/88/36/823438836.db2.gz WQHAJMZWOYHXPE-UHFFFAOYSA-N -1 3 282.217 3.263 20 0 CGADHM COc1ccc2nccc(-c3cccc([O-])c3F)c2n1 ZINC001243547836 823439979 /nfs/dbraw/zinc/43/99/79/823439979.db2.gz XTMOOXPCVFJFTP-UHFFFAOYSA-N -1 3 270.263 3.150 20 0 CGADHM c1oc2ccccc2c1-c1cccc(-c2nnn[n-]2)c1 ZINC001239064611 820211542 /nfs/dbraw/zinc/21/15/42/820211542.db2.gz NENSZMTWVDQLIG-UHFFFAOYSA-N -1 3 262.272 3.280 20 0 CGADHM c1oc2ccccc2c1-c1cccc(-c2nn[n-]n2)c1 ZINC001239064611 820211547 /nfs/dbraw/zinc/21/15/47/820211547.db2.gz NENSZMTWVDQLIG-UHFFFAOYSA-N -1 3 262.272 3.280 20 0 CGADHM Cc1cc(C)cc(-c2ccc(Cc3nnn[n-]3)cc2)c1 ZINC001239525576 820375106 /nfs/dbraw/zinc/37/51/06/820375106.db2.gz DTDCYQVWSUCBNX-UHFFFAOYSA-N -1 3 264.332 3.074 20 0 CGADHM Cc1cc(C)cc(-c2ccc(Cc3nn[n-]n3)cc2)c1 ZINC001239525576 820375114 /nfs/dbraw/zinc/37/51/14/820375114.db2.gz DTDCYQVWSUCBNX-UHFFFAOYSA-N -1 3 264.332 3.074 20 0 CGADHM Cc1cccc(C)c1-c1ccc(Cc2nnn[n-]2)cc1 ZINC001239597881 820445234 /nfs/dbraw/zinc/44/52/34/820445234.db2.gz NTZOGUIOABFJIZ-UHFFFAOYSA-N -1 3 264.332 3.074 20 0 CGADHM Cc1cccc(C)c1-c1ccc(Cc2nn[n-]n2)cc1 ZINC001239597881 820445240 /nfs/dbraw/zinc/44/52/40/820445240.db2.gz NTZOGUIOABFJIZ-UHFFFAOYSA-N -1 3 264.332 3.074 20 0 CGADHM Cc1ccc(-c2cccc(-c3nnn[n-]3)c2)c(C)c1 ZINC001239810625 820626219 /nfs/dbraw/zinc/62/62/19/820626219.db2.gz DQBCKGCVLFYFDW-UHFFFAOYSA-N -1 3 250.305 3.151 20 0 CGADHM Cc1ccc(-c2cccc(-c3nn[n-]n3)c2)c(C)c1 ZINC001239810625 820626224 /nfs/dbraw/zinc/62/62/24/820626224.db2.gz DQBCKGCVLFYFDW-UHFFFAOYSA-N -1 3 250.305 3.151 20 0 CGADHM c1ccc2c(c1)cncc2-c1ccccc1-c1nnn[n-]1 ZINC001239944392 820726329 /nfs/dbraw/zinc/72/63/29/820726329.db2.gz FMCNEHHDZVRTQL-UHFFFAOYSA-N -1 3 273.299 3.082 20 0 CGADHM c1ccc2c(c1)cncc2-c1ccccc1-c1nn[n-]n1 ZINC001239944392 820726335 /nfs/dbraw/zinc/72/63/35/820726335.db2.gz FMCNEHHDZVRTQL-UHFFFAOYSA-N -1 3 273.299 3.082 20 0 CGADHM FC(F)(F)c1cc(-c2cccc3n[nH]cc32)nc(=S)[n-]1 ZINC001240312080 820955095 /nfs/dbraw/zinc/95/50/95/820955095.db2.gz YORSNTOXPLBNTG-UHFFFAOYSA-N -1 3 296.277 3.327 20 0 CGADHM O=c1c(-c2cc(F)ccc2[O-])cccn1-c1cccc(F)c1 ZINC001240697433 821254124 /nfs/dbraw/zinc/25/41/24/821254124.db2.gz IJHRALMTPZGVCO-UHFFFAOYSA-N -1 3 299.276 3.488 20 0 CGADHM CC(=O)Nc1ccc(F)cc1-c1ccc([O-])c(F)c1 ZINC001240785473 821324611 /nfs/dbraw/zinc/32/46/11/821324611.db2.gz ABPAXBLFQFFDAF-UHFFFAOYSA-N -1 3 263.243 3.296 20 0 CGADHM O=C1CCc2cc(-c3ccc([O-])c(F)c3)ccc2O1 ZINC001240785483 821324897 /nfs/dbraw/zinc/32/48/97/821324897.db2.gz AXGRYFXRHIMUOG-UHFFFAOYSA-N -1 3 258.248 3.050 20 0 CGADHM COC(=O)c1cc2ccc(-c3ccc([O-])c(F)c3)cc2[nH]1 ZINC001240785638 821325624 /nfs/dbraw/zinc/32/56/24/821325624.db2.gz KLXXHGPTILKCPW-UHFFFAOYSA-N -1 3 285.274 3.466 20 0 CGADHM O=C1c2ccc(-c3ccc([O-])c(F)c3)cc2CN1C1CC1 ZINC001240786261 821326916 /nfs/dbraw/zinc/32/69/16/821326916.db2.gz CUWBIENICZLVIC-UHFFFAOYSA-N -1 3 283.302 3.317 20 0 CGADHM O=c1ccc2cccc(-c3ccc([O-])c(F)c3)c2o1 ZINC001240787330 821328411 /nfs/dbraw/zinc/32/84/11/821328411.db2.gz YLCKYCXZZAWRQW-UHFFFAOYSA-N -1 3 256.232 3.305 20 0 CGADHM COC(=O)c1cc(F)c(C)c(-c2ccc([O-])c(F)c2)c1 ZINC001240788096 821330258 /nfs/dbraw/zinc/33/02/58/821330258.db2.gz ZKHFXVYPJHNKGS-UHFFFAOYSA-N -1 3 278.254 3.432 20 0 CGADHM [O-]c1ccc(-c2ccc(C(F)(F)F)n3ncnc23)cc1F ZINC001240788191 821331540 /nfs/dbraw/zinc/33/15/40/821331540.db2.gz DIWGWGFUKCBLCF-UHFFFAOYSA-N -1 3 297.211 3.260 20 0 CGADHM Cc1cc(-c2ccccc2[O-])nc(-c2ccccn2)n1 ZINC001241007478 821484422 /nfs/dbraw/zinc/48/44/22/821484422.db2.gz CYEGZGPFQYXQLO-UHFFFAOYSA-N -1 3 263.300 3.220 20 0 CGADHM CCOc1cc(F)cc(-c2ccc(C)c(-c3nnn[n-]3)c2)c1 ZINC001241026870 821501929 /nfs/dbraw/zinc/50/19/29/821501929.db2.gz VJLJGSUWCGNSFV-UHFFFAOYSA-N -1 3 298.321 3.380 20 0 CGADHM CCOc1cc(F)cc(-c2ccc(C)c(-c3nn[n-]n3)c2)c1 ZINC001241026870 821501933 /nfs/dbraw/zinc/50/19/33/821501933.db2.gz VJLJGSUWCGNSFV-UHFFFAOYSA-N -1 3 298.321 3.380 20 0 CGADHM COc1nc2ccccc2nc1-c1ccc(C)cc1[O-] ZINC001241028660 821504327 /nfs/dbraw/zinc/50/43/27/821504327.db2.gz QJLPLKJYRSXZFM-UHFFFAOYSA-N -1 3 266.300 3.319 20 0 CGADHM Fc1cc(F)c(-c2ccc(-c3nnn[n-]3)c(F)c2)cc1F ZINC001241112874 821567015 /nfs/dbraw/zinc/56/70/15/821567015.db2.gz YRHTUTVTEPUUDE-UHFFFAOYSA-N -1 3 294.211 3.090 20 0 CGADHM Fc1cc(F)c(-c2ccc(-c3nn[n-]n3)c(F)c2)cc1F ZINC001241112874 821567020 /nfs/dbraw/zinc/56/70/20/821567020.db2.gz YRHTUTVTEPUUDE-UHFFFAOYSA-N -1 3 294.211 3.090 20 0 CGADHM Cc1ccc(C)c(-c2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC001241192367 821628332 /nfs/dbraw/zinc/62/83/32/821628332.db2.gz IDEVKICNICTXEP-UHFFFAOYSA-N -1 3 268.295 3.290 20 0 CGADHM Cc1ccc(C)c(-c2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC001241192367 821628338 /nfs/dbraw/zinc/62/83/38/821628338.db2.gz IDEVKICNICTXEP-UHFFFAOYSA-N -1 3 268.295 3.290 20 0 CGADHM CCOc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1C ZINC001241196766 821631639 /nfs/dbraw/zinc/63/16/39/821631639.db2.gz BRKKXWYWTGMEKX-UHFFFAOYSA-N -1 3 280.331 3.241 20 0 CGADHM CCOc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1C ZINC001241196766 821631640 /nfs/dbraw/zinc/63/16/40/821631640.db2.gz BRKKXWYWTGMEKX-UHFFFAOYSA-N -1 3 280.331 3.241 20 0 CGADHM Cc1cc(-c2cc([O-])cc(F)c2)nc(C(F)(F)F)n1 ZINC001241258221 821678166 /nfs/dbraw/zinc/67/81/66/821678166.db2.gz WGOPJEYIBUWPCY-UHFFFAOYSA-N -1 3 272.201 3.316 20 0 CGADHM [O-]c1cc(F)cc(-c2ncnc3c2CCCCC3)c1 ZINC001241261370 821681636 /nfs/dbraw/zinc/68/16/36/821681636.db2.gz LTSCHWKQNIGCSR-UHFFFAOYSA-N -1 3 258.296 3.257 20 0 CGADHM [O-]c1cc(F)cc(-c2ncnc3c(F)c(F)ccc23)c1 ZINC001241267472 821686680 /nfs/dbraw/zinc/68/66/80/821686680.db2.gz WEADBMUYSPNTCF-UHFFFAOYSA-N -1 3 276.217 3.420 20 0 CGADHM O=c1c(-c2cc([O-])cc(F)c2)cccn1-c1ccc(F)cc1 ZINC001241280512 821698914 /nfs/dbraw/zinc/69/89/14/821698914.db2.gz OOJPJEOICNZPBU-UHFFFAOYSA-N -1 3 299.276 3.488 20 0 CGADHM CN1Cc2cccc(-c3cc([O-])cc(F)c3)c2NC1=O ZINC001241282615 821702175 /nfs/dbraw/zinc/70/21/75/821702175.db2.gz MQCVZYDSUBEFDC-UHFFFAOYSA-N -1 3 272.279 3.176 20 0 CGADHM CC(=O)Nc1ccc(F)cc1-c1c(F)ccc([O-])c1F ZINC001241293219 821711181 /nfs/dbraw/zinc/71/11/81/821711181.db2.gz TWRBKLFMFINLBZ-UHFFFAOYSA-N -1 3 281.233 3.435 20 0 CGADHM CC1(C)CNc2cc(-c3c(F)ccc([O-])c3F)cnc21 ZINC001241295268 821713920 /nfs/dbraw/zinc/71/39/20/821713920.db2.gz LPVQOABUCHBAGP-UHFFFAOYSA-N -1 3 276.286 3.436 20 0 CGADHM O=c1ccc(-c2c(F)ccc([O-])c2F)cn1C1CCC1 ZINC001241295707 821714194 /nfs/dbraw/zinc/71/41/94/821714194.db2.gz YDVYCFWVRYJBQT-UHFFFAOYSA-N -1 3 277.270 3.224 20 0 CGADHM CC(=O)c1ccc(F)c(-c2ccc(-c3nnn[n-]3)cc2C)c1 ZINC001241304087 821719179 /nfs/dbraw/zinc/71/91/79/821719179.db2.gz WMTUBSNEXPVQDH-UHFFFAOYSA-N -1 3 296.305 3.184 20 0 CGADHM CC(=O)c1ccc(F)c(-c2ccc(-c3nn[n-]n3)cc2C)c1 ZINC001241304087 821719185 /nfs/dbraw/zinc/71/91/85/821719185.db2.gz WMTUBSNEXPVQDH-UHFFFAOYSA-N -1 3 296.305 3.184 20 0 CGADHM Cc1ccc(-c2ccc3ncccc3c2)cc1-c1nnn[n-]1 ZINC001241401318 821798193 /nfs/dbraw/zinc/79/81/93/821798193.db2.gz KXBATLIFQVZWFG-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM Cc1ccc(-c2ccc3ncccc3c2)cc1-c1nn[n-]n1 ZINC001241401318 821798203 /nfs/dbraw/zinc/79/82/03/821798203.db2.gz KXBATLIFQVZWFG-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM Cc1nc2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc2s1 ZINC001241443556 821836754 /nfs/dbraw/zinc/83/67/54/821836754.db2.gz GHCPNUVMWWUWDM-UHFFFAOYSA-N -1 3 293.355 3.452 20 0 CGADHM Cc1nc2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc2s1 ZINC001241443556 821836761 /nfs/dbraw/zinc/83/67/61/821836761.db2.gz GHCPNUVMWWUWDM-UHFFFAOYSA-N -1 3 293.355 3.452 20 0 CGADHM C=Cc1ccc(F)cc1-c1ccc(-c2nnn[n-]2)cc1 ZINC001241443668 821838389 /nfs/dbraw/zinc/83/83/89/821838389.db2.gz KAKODACVQSIQQH-UHFFFAOYSA-N -1 3 266.279 3.316 20 0 CGADHM C=Cc1ccc(F)cc1-c1ccc(-c2nn[n-]n2)cc1 ZINC001241443668 821838393 /nfs/dbraw/zinc/83/83/93/821838393.db2.gz KAKODACVQSIQQH-UHFFFAOYSA-N -1 3 266.279 3.316 20 0 CGADHM Cc1ccc(-c2ccc(-c3nnn[n-]3)cc2)c2cccnc12 ZINC001241445454 821840560 /nfs/dbraw/zinc/84/05/60/821840560.db2.gz OGGRISZEFOPHDD-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM Cc1ccc(-c2ccc(-c3nn[n-]n3)cc2)c2cccnc12 ZINC001241445454 821840570 /nfs/dbraw/zinc/84/05/70/821840570.db2.gz OGGRISZEFOPHDD-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM C[S@](=O)c1ccc(-c2ccc3c(c2)[N-]C(=S)C3)cc1 ZINC001241488833 821890031 /nfs/dbraw/zinc/89/00/31/821890031.db2.gz GADGUILLPYQLBL-IBGZPJMESA-N -1 3 287.409 3.386 20 0 CGADHM OCc1cccc(-c2ccc3c(c2)[N-]C(=S)C3)c1 ZINC001241512429 821912889 /nfs/dbraw/zinc/91/28/89/821912889.db2.gz RKHRKASEUNJSEP-UHFFFAOYSA-N -1 3 255.342 3.141 20 0 CGADHM CCCOc1cccc(-c2cc(-c3nnn[n-]3)ccc2F)c1 ZINC001241590567 821976024 /nfs/dbraw/zinc/97/60/24/821976024.db2.gz FUYFROUQPQCXEG-UHFFFAOYSA-N -1 3 298.321 3.462 20 0 CGADHM CCCOc1cccc(-c2cc(-c3nn[n-]n3)ccc2F)c1 ZINC001241590567 821976032 /nfs/dbraw/zinc/97/60/32/821976032.db2.gz FUYFROUQPQCXEG-UHFFFAOYSA-N -1 3 298.321 3.462 20 0 CGADHM Cc1ccc(-c2ccc3ccncc3c2)cc1-c1nnn[n-]1 ZINC001241677659 822061929 /nfs/dbraw/zinc/06/19/29/822061929.db2.gz MWBPCXWUCOHVNT-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM Cc1ccc(-c2ccc3ccncc3c2)cc1-c1nn[n-]n1 ZINC001241677659 822061940 /nfs/dbraw/zinc/06/19/40/822061940.db2.gz MWBPCXWUCOHVNT-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM C=Cc1cccc(-c2ccc(-c3nnn[n-]3)cc2C)c1 ZINC001241963051 822247940 /nfs/dbraw/zinc/24/79/40/822247940.db2.gz AUIYZTSZTWQAQH-UHFFFAOYSA-N -1 3 262.316 3.485 20 0 CGADHM C=Cc1cccc(-c2ccc(-c3nn[n-]n3)cc2C)c1 ZINC001241963051 822247942 /nfs/dbraw/zinc/24/79/42/822247942.db2.gz AUIYZTSZTWQAQH-UHFFFAOYSA-N -1 3 262.316 3.485 20 0 CGADHM CO[C@H](C)c1cccc(-c2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC001242035930 822299227 /nfs/dbraw/zinc/29/92/27/822299227.db2.gz CSGRYCALFFLYSE-SNVBAGLBSA-N -1 3 298.321 3.380 20 0 CGADHM CO[C@H](C)c1cccc(-c2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC001242035930 822299234 /nfs/dbraw/zinc/29/92/34/822299234.db2.gz CSGRYCALFFLYSE-SNVBAGLBSA-N -1 3 298.321 3.380 20 0 CGADHM [O-]c1ccc(-c2cnc(F)nc2)cc1C(F)(F)F ZINC001242157842 822899226 /nfs/dbraw/zinc/89/92/26/822899226.db2.gz OANTWOYVSWPHRK-UHFFFAOYSA-N -1 3 258.174 3.007 20 0 CGADHM O=C1Nc2c(cccc2-c2ccc(F)cc2[O-])C12CC2 ZINC001242219161 822915437 /nfs/dbraw/zinc/91/54/37/822915437.db2.gz ZWQBDXKCDFTHGD-UHFFFAOYSA-N -1 3 269.275 3.182 20 0 CGADHM [O-]c1cc(F)ccc1-c1ccnc(OC2CCOCC2)c1 ZINC001242219889 822916234 /nfs/dbraw/zinc/91/62/34/822916234.db2.gz WEZVUVCGJKYCSC-UHFFFAOYSA-N -1 3 289.306 3.151 20 0 CGADHM CN1CCOc2cc(-c3ccc(F)cc3[O-])ccc21 ZINC001242220642 822916969 /nfs/dbraw/zinc/91/69/69/822916969.db2.gz IRZKOCOQARLKTO-UHFFFAOYSA-N -1 3 259.280 3.027 20 0 CGADHM COc1cc(-c2ccc(F)cc2[O-])c(NC(C)=O)cc1C ZINC001242222524 822917375 /nfs/dbraw/zinc/91/73/75/822917375.db2.gz XICORTQGBCTOBU-UHFFFAOYSA-N -1 3 289.306 3.474 20 0 CGADHM COc1cc(-c2ccc(F)cc2[O-])ccc1NC(C)=O ZINC001242221748 822917416 /nfs/dbraw/zinc/91/74/16/822917416.db2.gz WWWRHPKXZBKVNF-UHFFFAOYSA-N -1 3 275.279 3.165 20 0 CGADHM c1ccc(-c2ccc3cccnc3c2)c(-c2nnn[n-]2)c1 ZINC001242250186 822927453 /nfs/dbraw/zinc/92/74/53/822927453.db2.gz IXLNKAJAYFHFDO-UHFFFAOYSA-N -1 3 273.299 3.082 20 0 CGADHM c1ccc(-c2ccc3cccnc3c2)c(-c2nn[n-]n2)c1 ZINC001242250186 822927455 /nfs/dbraw/zinc/92/74/55/822927455.db2.gz IXLNKAJAYFHFDO-UHFFFAOYSA-N -1 3 273.299 3.082 20 0 CGADHM O=C1CCc2c(cccc2-c2cccc(F)c2[O-])N1 ZINC001242351265 822961359 /nfs/dbraw/zinc/96/13/59/822961359.db2.gz VSWZQGRVXZLGET-UHFFFAOYSA-N -1 3 257.264 3.083 20 0 CGADHM COc1ncc(-c2cccc(F)c2[O-])c2cc[nH]c21 ZINC001242351599 822962246 /nfs/dbraw/zinc/96/22/46/822962246.db2.gz YDCVPJBGIICNKO-UHFFFAOYSA-N -1 3 258.252 3.083 20 0 CGADHM CN1Cc2cccc(-c3cccc(F)c3[O-])c2NC1=O ZINC001242353526 822963062 /nfs/dbraw/zinc/96/30/62/822963062.db2.gz GHTMYTIYRJWNON-UHFFFAOYSA-N -1 3 272.279 3.176 20 0 CGADHM COC(=O)c1c(F)ccc(-c2cccc(F)c2[O-])c1OC ZINC001242353753 822963211 /nfs/dbraw/zinc/96/32/11/822963211.db2.gz PTCABCYWEONOFY-UHFFFAOYSA-N -1 3 294.253 3.133 20 0 CGADHM COC(=O)c1nc2ccc(C3=CCCCCCC3)nc2[n-]1 ZINC001242504362 823013181 /nfs/dbraw/zinc/01/31/81/823013181.db2.gz QYJOJZSWLJWZQP-UHFFFAOYSA-N -1 3 285.347 3.482 20 0 CGADHM COC(=O)c1nc2nc(C3=CCCCCCC3)ccc2[n-]1 ZINC001242504362 823013178 /nfs/dbraw/zinc/01/31/78/823013178.db2.gz QYJOJZSWLJWZQP-UHFFFAOYSA-N -1 3 285.347 3.482 20 0 CGADHM COC(=O)c1nc2ccc(C3=CCCCCCC3)[n-]c-2n1 ZINC001242504362 823013183 /nfs/dbraw/zinc/01/31/83/823013183.db2.gz QYJOJZSWLJWZQP-UHFFFAOYSA-N -1 3 285.347 3.482 20 0 CGADHM Cc1cccc(C(=O)Nc2cccnc2C2CC2)c1[O-] ZINC001342663553 936474276 /nfs/dbraw/zinc/47/42/76/936474276.db2.gz YAKHGBKQONORDL-UHFFFAOYSA-N -1 3 268.316 3.225 20 0 CGADHM CC(C)c1nnc([N-][C@@H](c2cnn(C)c2)c2ccccc2)o1 ZINC001344112364 936526339 /nfs/dbraw/zinc/52/63/39/936526339.db2.gz CUDSHBDCXYRDGY-CQSZACIVSA-N -1 3 297.362 3.128 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)NC[C@H]1C[C@H]1C1CCCC1 ZINC001347569878 936888778 /nfs/dbraw/zinc/88/87/78/936888778.db2.gz SAYSIXWRWCSLSJ-KGLIPLIRSA-N -1 3 291.366 3.016 20 0 CGADHM CC(C)(NCc1ccoc1C(=O)[O-])c1ccccc1 ZINC000302327061 927207493 /nfs/dbraw/zinc/20/74/93/927207493.db2.gz FROAFFIJVRWHTM-UHFFFAOYSA-N -1 3 259.305 3.003 20 0 CGADHM Cc1cnc([C@H](C)NCc2ccc([O-])c(F)c2)s1 ZINC000232423293 928207745 /nfs/dbraw/zinc/20/77/45/928207745.db2.gz FKLMEDPUJBEGBS-VIFPVBQESA-N -1 3 266.341 3.147 20 0 CGADHM Cc1cccc(F)c1C(=O)Nc1cccc([O-])c1F ZINC001319583918 928471108 /nfs/dbraw/zinc/47/11/08/928471108.db2.gz OXPSMCZHWKYGHE-UHFFFAOYSA-N -1 3 263.243 3.231 20 0 CGADHM Cc1onc(-c2cccc(F)c2)c1C(=O)[N-]c1ccon1 ZINC001436975247 937288857 /nfs/dbraw/zinc/28/88/57/937288857.db2.gz WZZRHBTYFFVYTJ-UHFFFAOYSA-N -1 3 287.250 3.029 20 0 CGADHM CSc1ccc([O-])c(C(=O)NC2CCCCC2)c1 ZINC001440567253 937331844 /nfs/dbraw/zinc/33/18/44/937331844.db2.gz SYJHAOVAXGPJTO-UHFFFAOYSA-N -1 3 265.378 3.177 20 0 CGADHM CC[C@H](Cc1cccc(C)c1)C(=O)[N-]O[C@H]1CCCCO1 ZINC001442533596 937342987 /nfs/dbraw/zinc/34/29/87/937342987.db2.gz SFDNEOIGDYZYCO-CVEARBPZSA-N -1 3 291.391 3.138 20 0 CGADHM COc1cccc([O-])c1C(=O)N[C@H]1CCc2c1cccc2C ZINC001443706201 937348338 /nfs/dbraw/zinc/34/83/38/937348338.db2.gz ZVLWXMXJNBALFO-AWEZNQCLSA-N -1 3 297.354 3.127 20 0 CGADHM C[C@@H]1Cc2cc(C(=O)Nc3cccc([O-])c3F)ccc2O1 ZINC001446243601 937362832 /nfs/dbraw/zinc/36/28/32/937362832.db2.gz ZOFJTNZGVLNPOT-SECBINFHSA-N -1 3 287.290 3.107 20 0 CGADHM CCc1ccc(C(=O)Nc2nc3cc(C)ccc3[nH]2)c([O-])c1 ZINC001450296337 937384831 /nfs/dbraw/zinc/38/48/31/937384831.db2.gz MEYRPYGADHZYNI-UHFFFAOYSA-N -1 3 295.342 3.392 20 0 CGADHM CCc1ccc(C(=O)Nc2nc3ccc(C)cc3[nH]2)c([O-])c1 ZINC001450296337 937384833 /nfs/dbraw/zinc/38/48/33/937384833.db2.gz MEYRPYGADHZYNI-UHFFFAOYSA-N -1 3 295.342 3.392 20 0 CGADHM CCc1cccc(C(=O)Nc2cncc3c2CCCC3)c1[O-] ZINC001453397775 937402615 /nfs/dbraw/zinc/40/26/15/937402615.db2.gz OFQDWFOCXCXDOI-UHFFFAOYSA-N -1 3 296.370 3.481 20 0 CGADHM CCc1cccc(C(=O)N[C@@H](C)c2cnc(C)s2)c1[O-] ZINC001454618837 937410280 /nfs/dbraw/zinc/41/02/80/937410280.db2.gz KATRMDWMSLUFKD-VIFPVBQESA-N -1 3 290.388 3.211 20 0 CGADHM CCC[C@@H]1CCCN1C(=O)c1ccc(CC)cc1[O-] ZINC001456807602 937435339 /nfs/dbraw/zinc/43/53/39/937435339.db2.gz ZOSJAQGFCVRQSK-CYBMUJFWSA-N -1 3 261.365 3.359 20 0 CGADHM Cc1ccc(CN2Cc3nc(C4CC4)[n-]c(=O)c3C2)c(C)c1 ZINC001460719017 937541853 /nfs/dbraw/zinc/54/18/53/937541853.db2.gz CYNDHNYQMUQKQE-UHFFFAOYSA-N -1 3 295.386 3.192 20 0 CGADHM C[C@@H]1C[C@H](Oc2cccc([O-])c2Br)CCO1 ZINC001229143344 932104718 /nfs/dbraw/zinc/10/47/18/932104718.db2.gz VNHUPUWQUSJZJY-RKDXNWHRSA-N -1 3 287.153 3.101 20 0 CGADHM C[C@H]1CCC[C@@H]1Oc1cc(O)cc([O-])c1Br ZINC001229101097 932095347 /nfs/dbraw/zinc/09/53/47/932095347.db2.gz YGRZTLZQAQXBOS-XVKPBYJWSA-N -1 3 287.153 3.428 20 0 CGADHM CC[C@H](Oc1ccc(-c2nnn[n-]2)cc1OC)C(C)(C)C ZINC001229337671 932135567 /nfs/dbraw/zinc/13/55/67/932135567.db2.gz JHZQTIROIVRRMP-ZDUSSCGKSA-N -1 3 290.367 3.079 20 0 CGADHM CC[C@H](Oc1ccc(-c2nn[n-]n2)cc1OC)C(C)(C)C ZINC001229337671 932135571 /nfs/dbraw/zinc/13/55/71/932135571.db2.gz JHZQTIROIVRRMP-ZDUSSCGKSA-N -1 3 290.367 3.079 20 0 CGADHM Cc1csc2[n-]c(=S)nc(O[C@@H]3CCO[C@@H](C)C3)c12 ZINC001229351593 932137173 /nfs/dbraw/zinc/13/71/73/932137173.db2.gz BXQDEOSZTWIQSS-DTWKUNHWSA-N -1 3 296.417 3.235 20 0 CGADHM Cc1nc(O[C@H](C)c2ccccc2C)c(C)c(=O)[n-]1 ZINC001229686416 932470068 /nfs/dbraw/zinc/47/00/68/932470068.db2.gz RDTZYBNMIRZFHT-LLVKDONJSA-N -1 3 258.321 3.247 20 0 CGADHM CC[C@H](Oc1nc(C)[n-]c(=O)c1C)c1ccccc1F ZINC001229687300 932470082 /nfs/dbraw/zinc/47/00/82/932470082.db2.gz DLHPZUSQZDTZKQ-ZDUSSCGKSA-N -1 3 276.311 3.468 20 0 CGADHM Cc1cccc2c1[C@@H](Oc1ccccc1-c1nnn[n-]1)CC2 ZINC001229958753 932510276 /nfs/dbraw/zinc/51/02/76/932510276.db2.gz WEGOUXPBQXJQAR-HNNXBMFYSA-N -1 3 292.342 3.241 20 0 CGADHM Cc1cccc2c1[C@@H](Oc1ccccc1-c1nn[n-]n1)CC2 ZINC001229958753 932510280 /nfs/dbraw/zinc/51/02/80/932510280.db2.gz WEGOUXPBQXJQAR-HNNXBMFYSA-N -1 3 292.342 3.241 20 0 CGADHM CC[C@H](C)C[C@H](CC)Oc1ccccc1-c1nnn[n-]1 ZINC001229954748 932510294 /nfs/dbraw/zinc/51/02/94/932510294.db2.gz OMPXOGZRHQJLTB-RYUDHWBXSA-N -1 3 274.368 3.460 20 0 CGADHM CC[C@H](C)C[C@H](CC)Oc1ccccc1-c1nn[n-]n1 ZINC001229954748 932510296 /nfs/dbraw/zinc/51/02/96/932510296.db2.gz OMPXOGZRHQJLTB-RYUDHWBXSA-N -1 3 274.368 3.460 20 0 CGADHM O=c1nc(O[C@H]2CCC=CCCC2)c2c([n-]1)CCS2 ZINC001230792543 932624574 /nfs/dbraw/zinc/62/45/74/932624574.db2.gz QGNDFUMXAFESSA-JTQLQIEISA-N -1 3 278.377 3.098 20 0 CGADHM O=c1nc(OC(C2CC2)C2CC2)c(-c2ccccc2)c[n-]1 ZINC001230973619 932651470 /nfs/dbraw/zinc/65/14/70/932651470.db2.gz HXKOZTVYCBFKMB-UHFFFAOYSA-N -1 3 282.343 3.417 20 0 CGADHM CC[C@H](C)CC[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001231076779 932673096 /nfs/dbraw/zinc/67/30/96/932673096.db2.gz MFXSMJMDQLPNPN-RYUDHWBXSA-N -1 3 274.368 3.460 20 0 CGADHM CCOc1ncc(C)cc1NCc1ccc([O-])c(F)c1 ZINC001462274573 937629230 /nfs/dbraw/zinc/62/92/30/937629230.db2.gz BUUYNVGJCXXBFY-UHFFFAOYSA-N -1 3 276.311 3.246 20 0 CGADHM Cc1cccc([O-])c1C(=O)N[C@@H]1CCc2cc(F)ccc21 ZINC001304476020 932850335 /nfs/dbraw/zinc/85/03/35/932850335.db2.gz QIECKAWEPTUQGY-CQSZACIVSA-N -1 3 285.318 3.257 20 0 CGADHM Cc1ccc(N(C)C(=O)Cc2ccc([O-])c(F)c2)cc1C ZINC001464612167 937693572 /nfs/dbraw/zinc/69/35/72/937693572.db2.gz OKGNOJYWCBGREE-UHFFFAOYSA-N -1 3 287.334 3.354 20 0 CGADHM COC(=O)c1ccc(NC(=O)c2cccc(C)c2[O-])cc1C ZINC001464858286 937696053 /nfs/dbraw/zinc/69/60/53/937696053.db2.gz CEJZRWRRNHNARG-UHFFFAOYSA-N -1 3 299.326 3.048 20 0 CGADHM CCc1ccc([O-])c(C(=O)NC2(C(F)(F)F)CCC2)c1 ZINC001465467686 937700901 /nfs/dbraw/zinc/70/09/01/937700901.db2.gz XPNGLLYVIYBQCC-UHFFFAOYSA-N -1 3 287.281 3.169 20 0 CGADHM CCc1ccc(C(=O)NC(C(C)C)C(C)C)c([O-])c1 ZINC001465933484 937704817 /nfs/dbraw/zinc/70/48/17/937704817.db2.gz UGTONLAMDFAMOJ-UHFFFAOYSA-N -1 3 263.381 3.365 20 0 CGADHM O=C(Nc1cccc(-c2ccccc2)c1)c1cc(=O)[n-]cn1 ZINC001467822233 937722600 /nfs/dbraw/zinc/72/26/00/937722600.db2.gz LFYXSTDKQVFNHP-UHFFFAOYSA-N -1 3 291.310 3.102 20 0 CGADHM CCCN1CCCC[C@@H]1C(=O)Nc1cccc(Cl)c1[O-] ZINC001319632232 933903483 /nfs/dbraw/zinc/90/34/83/933903483.db2.gz YYZGMIXOTKWQKV-CYBMUJFWSA-N -1 3 296.798 3.249 20 0 CGADHM Cc1ccc(C(=O)NC2CC(C(C)(C)C)C2)c([O-])c1 ZINC001468490650 937728770 /nfs/dbraw/zinc/72/87/70/937728770.db2.gz SRPCJBHJRNTOOM-UHFFFAOYSA-N -1 3 261.365 3.255 20 0 CGADHM CC[C@H](C)CCC(=O)Nc1cc(C(=O)OC(C)(C)C)n[n-]1 ZINC001469326917 937738370 /nfs/dbraw/zinc/73/83/70/937738370.db2.gz NXNRJCUFRCYHEG-JTQLQIEISA-N -1 3 295.383 3.130 20 0 CGADHM CC[C@H](C)CCC(=O)Nc1cc(C(=O)OC(C)(C)C)[n-]n1 ZINC001469326917 937738372 /nfs/dbraw/zinc/73/83/72/937738372.db2.gz NXNRJCUFRCYHEG-JTQLQIEISA-N -1 3 295.383 3.130 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2cncc3c2CCCC3)c1 ZINC001470097931 937747799 /nfs/dbraw/zinc/74/77/99/937747799.db2.gz BXKKZVLAOQFSEJ-UHFFFAOYSA-N -1 3 296.370 3.481 20 0 CGADHM CCc1ccc(C(=O)N[C@H](C)CC2CCC2)c([O-])c1 ZINC001470728894 937756919 /nfs/dbraw/zinc/75/69/19/937756919.db2.gz HUOYOVNCKPTHLH-LLVKDONJSA-N -1 3 261.365 3.263 20 0 CGADHM C[C@H](OC1CCCCC1)C(=O)Nc1cc(F)ccc1[O-] ZINC001323529050 934405292 /nfs/dbraw/zinc/40/52/92/934405292.db2.gz CBKUUDIQCSYRCC-JTQLQIEISA-N -1 3 281.327 3.208 20 0 CGADHM CC1(C)C([N-]S(=O)(=O)c2ccc(Cl)s2)C1(C)C ZINC001475061512 934408956 /nfs/dbraw/zinc/40/89/56/934408956.db2.gz HXHXHSZZQJJSDY-UHFFFAOYSA-N -1 3 293.841 3.114 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2cncc(C(C)C)c2)c1 ZINC001472196134 937773905 /nfs/dbraw/zinc/77/39/05/937773905.db2.gz PRSOHPDOUNDBFD-UHFFFAOYSA-N -1 3 270.332 3.471 20 0 CGADHM O=C(NCCCC(F)F)c1cc2sccc2c([O-])c1 ZINC001332431628 935468673 /nfs/dbraw/zinc/46/86/73/935468673.db2.gz RMFQPBSHSFYXSF-UHFFFAOYSA-N -1 3 285.315 3.382 20 0 CGADHM Cc1ccc(CC(=O)[N-]OC(C)(C)C)cc1Cl ZINC001334336041 936098264 /nfs/dbraw/zinc/09/82/64/936098264.db2.gz LHPZPDRCOAYRLH-UHFFFAOYSA-N -1 3 255.745 3.037 20 0 CGADHM C[C@@H]1CC[C@H](c2nc3cc(-c4ccccc4)oc3c(=O)[n-]2)O1 ZINC001336370927 936190581 /nfs/dbraw/zinc/19/05/81/936190581.db2.gz SUAXBALRVQNPMQ-ZWNOBZJWSA-N -1 3 296.326 3.423 20 0 CGADHM CC[C@H](F)C(=O)[N-][C@@H](c1c(F)cccc1F)C(F)(F)F ZINC001337213029 936243760 /nfs/dbraw/zinc/24/37/60/936243760.db2.gz UAQIEWGSLJHMKY-WKEGUHRASA-N -1 3 299.214 3.433 20 0 CGADHM CN(C)c1ccc(NCc2c(F)ccc([O-])c2F)cc1F ZINC001474677537 937874334 /nfs/dbraw/zinc/87/43/34/937874334.db2.gz PEYHIMVDZWGEHD-UHFFFAOYSA-N -1 3 296.292 3.488 20 0 CGADHM CC(=O)c1ccc(C(=O)[N-]c2cnoc2C(C)C)s1 ZINC001514580207 938002019 /nfs/dbraw/zinc/00/20/19/938002019.db2.gz HKEYYBNJHOVJCZ-UHFFFAOYSA-N -1 3 278.333 3.314 20 0 CGADHM CCCc1nc(C(=O)[N-]c2cc(C(C)(C)F)on2)co1 ZINC001538246568 938116648 /nfs/dbraw/zinc/11/66/48/938116648.db2.gz FIXXUVGQTLWQNA-UHFFFAOYSA-N -1 3 281.287 3.072 20 0 CGADHM CC(C)(F)c1cc([N-]C(=O)c2ccc(F)s2)no1 ZINC001540234664 938129050 /nfs/dbraw/zinc/12/90/50/938129050.db2.gz RNZNLWGQZJPTFA-UHFFFAOYSA-N -1 3 272.276 3.332 20 0 CGADHM O=C(Nc1ccc2[nH]ccc2c1)c1[n-]cnc1C(F)(F)F ZINC001542599992 938136487 /nfs/dbraw/zinc/13/64/87/938136487.db2.gz RVOICCRVLMPDSZ-UHFFFAOYSA-N -1 3 294.236 3.162 20 0 CGADHM O=C(Nc1ccc2[nH]ccc2c1)c1nc[n-]c1C(F)(F)F ZINC001542599992 938136488 /nfs/dbraw/zinc/13/64/88/938136488.db2.gz RVOICCRVLMPDSZ-UHFFFAOYSA-N -1 3 294.236 3.162 20 0 CGADHM CCc1ccc(C(=O)N[C@@H]2C[C@]2(C)c2ccccc2)c([O-])c1 ZINC001544978284 938148152 /nfs/dbraw/zinc/14/81/52/938148152.db2.gz BNAHBZDWJDTUGN-IEBWSBKVSA-N -1 3 295.382 3.415 20 0 CGADHM O=C(N[C@H]1C=CCCC1)c1cc2sccc2c([O-])c1 ZINC001545539173 938149924 /nfs/dbraw/zinc/14/99/24/938149924.db2.gz UMPQVACKXODKJQ-NSHDSACASA-N -1 3 273.357 3.445 20 0 CGADHM O=C([O-])[C@H]1CN(Cc2cc(F)ccc2Cl)C[C@H]1C1CC1 ZINC001549115524 938155134 /nfs/dbraw/zinc/15/51/34/938155134.db2.gz AHPISXUDQSMDMF-STQMWFEESA-N -1 3 297.757 3.022 20 0 CGADHM O=C([O-])[C@H]1CN(Cc2cc(F)ccc2Cl)C[C@@H]1C1CC1 ZINC001549115522 938155232 /nfs/dbraw/zinc/15/52/32/938155232.db2.gz AHPISXUDQSMDMF-OLZOCXBDSA-N -1 3 297.757 3.022 20 0 CGADHM O=C(Cc1cccc([O-])c1F)N1CCCC[C@@H]1C1CCC1 ZINC001549438132 938157386 /nfs/dbraw/zinc/15/73/86/938157386.db2.gz CRNCJFAEBYBWJI-CQSZACIVSA-N -1 3 291.366 3.255 20 0 CGADHM CC(C)O[N-]C(=O)[C@@H]1C2CCC(CC2)[C@@H]1C(F)(F)F ZINC001552145286 938189937 /nfs/dbraw/zinc/18/99/37/938189937.db2.gz UVNOTKZVDVSEPU-LXKPXOPUSA-N -1 3 279.302 3.057 20 0 CGADHM CCCCCC[C@@H](C)CC(=O)Nc1nnc(OCC)[n-]1 ZINC001558011510 938212961 /nfs/dbraw/zinc/21/29/61/938212961.db2.gz LEYRFZZSGQUHNZ-LLVKDONJSA-N -1 3 282.388 3.139 20 0 CGADHM CCCCCC[C@@H](C)CC(=O)Nc1n[n-]c(OCC)n1 ZINC001558011510 938212962 /nfs/dbraw/zinc/21/29/62/938212962.db2.gz LEYRFZZSGQUHNZ-LLVKDONJSA-N -1 3 282.388 3.139 20 0 CGADHM CCCCCC[C@@H](C)CC(=O)Nc1nc(OCC)n[n-]1 ZINC001558011510 938212963 /nfs/dbraw/zinc/21/29/63/938212963.db2.gz LEYRFZZSGQUHNZ-LLVKDONJSA-N -1 3 282.388 3.139 20 0 CGADHM CCC[C@@H](CC1CCCC1)C(=O)Nc1nnc(OCC)[n-]1 ZINC001558011102 938213036 /nfs/dbraw/zinc/21/30/36/938213036.db2.gz BPEUJKMAJHXXSI-LBPRGKRZSA-N -1 3 294.399 3.139 20 0 CGADHM CCC[C@@H](CC1CCCC1)C(=O)Nc1n[n-]c(OCC)n1 ZINC001558011102 938213037 /nfs/dbraw/zinc/21/30/37/938213037.db2.gz BPEUJKMAJHXXSI-LBPRGKRZSA-N -1 3 294.399 3.139 20 0 CGADHM CCC[C@@H](CC1CCCC1)C(=O)Nc1nc(OCC)n[n-]1 ZINC001558011102 938213038 /nfs/dbraw/zinc/21/30/38/938213038.db2.gz BPEUJKMAJHXXSI-LBPRGKRZSA-N -1 3 294.399 3.139 20 0 CGADHM CC(C)c1ccc(C(=O)N[C@H]2CC23CCC3)c([O-])c1 ZINC001558248057 938214318 /nfs/dbraw/zinc/21/43/18/938214318.db2.gz FCHNCUOSNIHZDM-AWEZNQCLSA-N -1 3 259.349 3.188 20 0 CGADHM O=C([N-]c1cc(-c2ccccc2)on1)c1cnc(C2CC2)o1 ZINC001558935957 938218421 /nfs/dbraw/zinc/21/84/21/938218421.db2.gz VGBISVNHVNXMGN-UHFFFAOYSA-N -1 3 295.298 3.459 20 0 CGADHM Cc1ccnc(SCc2nnc(-c3ccccc3[O-])o2)c1 ZINC001559463642 938226989 /nfs/dbraw/zinc/22/69/89/938226989.db2.gz FMYIXIIBSCHWST-UHFFFAOYSA-N -1 3 299.355 3.438 20 0 CGADHM O=C([O-])CC[C@@H]1CCCCN1Cc1nc2ccccc2o1 ZINC000050925869 948921975 /nfs/dbraw/zinc/92/19/75/948921975.db2.gz NEEPOUPNVOXSRM-LBPRGKRZSA-N -1 3 288.347 3.047 20 0 CGADHM C[C@@H]1CCN(Cc2cccc(C(=O)[O-])c2Cl)CCS1 ZINC000379493334 971641197 /nfs/dbraw/zinc/64/11/97/971641197.db2.gz KYAWXQCJUMEYJZ-SNVBAGLBSA-N -1 3 299.823 3.366 20 0 CGADHM CSc1cc(O)ccc1NC(=O)c1cccc(C)c1[O-] ZINC000191173317 958808654 /nfs/dbraw/zinc/80/86/54/958808654.db2.gz WTXZTKIUCWEPNW-UHFFFAOYSA-N -1 3 289.356 3.380 20 0 CGADHM Cc1ccccc1CC1CN(Cc2cccc(C(=O)[O-])c2)C1 ZINC001594417727 959021475 /nfs/dbraw/zinc/02/14/75/959021475.db2.gz QOQYXRKUZWKTRK-UHFFFAOYSA-N -1 3 295.382 3.368 20 0 CGADHM C[C@@H]1CC[C@H](C(=O)[O-])N1Cc1cc2c(cccc2O)s1 ZINC001594220036 959360764 /nfs/dbraw/zinc/36/07/64/959360764.db2.gz GYVNGHYRCMEZQQ-BXKDBHETSA-N -1 3 291.372 3.044 20 0 CGADHM O=C(NC1(C2CC2)CC1)c1cc2sccc2c([O-])c1 ZINC001566265702 960909481 /nfs/dbraw/zinc/90/94/81/960909481.db2.gz ITUJLVZPMLIHOF-UHFFFAOYSA-N -1 3 273.357 3.279 20 0 CGADHM C[C@H]1CCN(Cc2cc(C(=O)[O-])ccc2F)C[C@H]1C ZINC000253066849 961297882 /nfs/dbraw/zinc/29/78/82/961297882.db2.gz JMWGWAFHXVMMIO-WDEREUQCSA-N -1 3 265.328 3.002 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CCc2cc(F)ccc21 ZINC001568135724 961510702 /nfs/dbraw/zinc/51/07/02/961510702.db2.gz JWMRECWTQIQFRW-UHFFFAOYSA-N -1 3 271.291 3.043 20 0 CGADHM CCc1ccc(C(=O)N[C@@H]2c3ccccc3O[C@H]2C)c([O-])c1 ZINC001570020102 961885947 /nfs/dbraw/zinc/88/59/47/961885947.db2.gz REJPVNSSQQCWEC-GTNSWQLSSA-N -1 3 297.354 3.207 20 0 CGADHM C[Si](C)(C)CSc1cccc(Cl)c1-c1nnn[n-]1 ZINC001580460795 962725602 /nfs/dbraw/zinc/72/56/02/962725602.db2.gz NQIRMRXEJWYXND-UHFFFAOYSA-N -1 3 298.875 3.490 20 0 CGADHM C[Si](C)(C)CSc1cccc(Cl)c1-c1nn[n-]n1 ZINC001580460795 962725612 /nfs/dbraw/zinc/72/56/12/962725612.db2.gz NQIRMRXEJWYXND-UHFFFAOYSA-N -1 3 298.875 3.490 20 0 CGADHM Cc1cc(N[C@H](C)CC2CCC2)cc(-c2nnn[n-]2)c1 ZINC001580987663 962752579 /nfs/dbraw/zinc/75/25/79/962752579.db2.gz KVQKBUPENYLBSU-LLVKDONJSA-N -1 3 271.368 3.166 20 0 CGADHM Cc1cc(N[C@H](C)CC2CCC2)cc(-c2nn[n-]n2)c1 ZINC001580987663 962752586 /nfs/dbraw/zinc/75/25/86/962752586.db2.gz KVQKBUPENYLBSU-LLVKDONJSA-N -1 3 271.368 3.166 20 0 CGADHM Cc1ccnc(SCc2ccc(-c3nnn[n-]3)cc2C)c1 ZINC001581281081 962752998 /nfs/dbraw/zinc/75/29/98/962752998.db2.gz VVLSXJLIRRIXKO-UHFFFAOYSA-N -1 3 297.387 3.171 20 0 CGADHM Cc1ccnc(SCc2ccc(-c3nn[n-]n3)cc2C)c1 ZINC001581281081 962753010 /nfs/dbraw/zinc/75/30/10/962753010.db2.gz VVLSXJLIRRIXKO-UHFFFAOYSA-N -1 3 297.387 3.171 20 0 CGADHM Cc1ccc(C(=O)Nc2ccc3c(c2)COC(=O)N3)c([O-])c1 ZINC001584625049 962944992 /nfs/dbraw/zinc/94/49/92/962944992.db2.gz ITIPKZUIJSZAQN-UHFFFAOYSA-N -1 3 298.298 3.015 20 0 CGADHM CC(C)(C)c1nc(Cc2ccc(-c3nnn[n-]3)cc2)cs1 ZINC001589243913 963354711 /nfs/dbraw/zinc/35/47/11/963354711.db2.gz NYTSLEVBMBKBFB-UHFFFAOYSA-N -1 3 299.403 3.212 20 0 CGADHM CC(C)(C)c1nc(Cc2ccc(-c3nn[n-]n3)cc2)cs1 ZINC001589243913 963354718 /nfs/dbraw/zinc/35/47/18/963354718.db2.gz NYTSLEVBMBKBFB-UHFFFAOYSA-N -1 3 299.403 3.212 20 0 CGADHM CN(Cc1ccc(C(=O)[O-])cc1F)C1CC(C)(C)C1 ZINC000395536839 972804395 /nfs/dbraw/zinc/80/43/95/972804395.db2.gz XYAPQDRIJCURRN-UHFFFAOYSA-N -1 3 265.328 3.144 20 0 CGADHM CC[C@@](NC/C=C/Cl)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595290527 980390329 /nfs/dbraw/zinc/39/03/29/980390329.db2.gz LPELOEKXTBJUSU-UTPRNQHHSA-N -1 3 288.174 3.372 20 0 CGADHM CC[C@H](NCc1ccnc(C)c1)c1ccc(C(=O)[O-])cc1 ZINC001595305082 980442025 /nfs/dbraw/zinc/44/20/25/980442025.db2.gz KCNDWKKVDIDMDA-INIZCTEOSA-N -1 3 284.359 3.329 20 0 CGADHM CC[C@@H](C)[C@H](CNCc1cc(C(=O)[O-])ccc1Cl)OC ZINC001594884654 982264595 /nfs/dbraw/zinc/26/45/95/982264595.db2.gz YDHFBGPLKBWJRM-YGRLFVJLSA-N -1 3 299.798 3.189 20 0 CGADHM CCN(Cc1ccc(C(=O)[O-])o1)Cc1c[nH]c2ccccc12 ZINC001596357648 983829823 /nfs/dbraw/zinc/82/98/23/983829823.db2.gz NRJJIAKWMDTIMH-UHFFFAOYSA-N -1 3 298.342 3.481 20 0 CGADHM C[C@H](N[C@H](C(=O)[O-])c1ccc(F)cc1)c1cccc(O)c1 ZINC001599900973 984823876 /nfs/dbraw/zinc/82/38/76/984823876.db2.gz FKKHHHBADJLOEY-BONVTDFDSA-N -1 3 289.306 3.008 20 0 CGADHM C[C@H](NCc1c[nH]c(C(=O)[O-])c1)c1ccc(Cl)s1 ZINC001599901543 984840449 /nfs/dbraw/zinc/84/04/49/984840449.db2.gz LXHFIJVDUBLDPG-ZETCQYMHSA-N -1 3 284.768 3.279 20 0 CGADHM CC(C)(C)c1nc(CN[C@H]2CCCC[C@H]2C(=O)[O-])cs1 ZINC001590541993 990167438 /nfs/dbraw/zinc/16/74/38/990167438.db2.gz JOKYVPMEHFAVEO-NEPJUHHUSA-N -1 3 296.436 3.174 20 0 CGADHM C[C@H](NCc1ccsc1)c1cc(C(=O)[O-])cs1 ZINC001593311505 994784255 /nfs/dbraw/zinc/78/42/55/994784255.db2.gz RTNODWVQRMBNTF-QMMMGPOBSA-N -1 3 267.375 3.359 20 0 CGADHM C[C@@H](c1ncc(C(=O)[O-])s1)N1CC[C@H](C2CCCC2)C1 ZINC001593732498 996313711 /nfs/dbraw/zinc/31/37/11/996313711.db2.gz VPSGDVVEWLXOEM-JQWIXIFHSA-N -1 3 294.420 3.414 20 0 CGADHM CC1(C)CN(C[C@@H]2[C@H](C(=O)[O-])C2(F)F)[C@@H]1c1ccccc1 ZINC001593939576 996933117 /nfs/dbraw/zinc/93/31/17/996933117.db2.gz PMAAVFLRMDEEKI-JHJVBQTASA-N -1 3 295.329 3.035 20 0 CGADHM O=C(Cc1cccc(OC(F)F)c1)Nc1ccccc1[O-] ZINC000337398841 214054597 /nfs/dbraw/zinc/05/45/97/214054597.db2.gz OTURPNICBBQHQE-UHFFFAOYSA-N -1 3 293.269 3.175 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)[C@@H]2CC2(C)C)c1[O-] ZINC000337456069 214091074 /nfs/dbraw/zinc/09/10/74/214091074.db2.gz WZSGTRALEXIAFX-VIFPVBQESA-N -1 3 253.729 3.339 20 0 CGADHM CC(C)[C@@H]1C[C@@H](CC(=O)Nc2ccccc2[O-])CCO1 ZINC000273049946 192030720 /nfs/dbraw/zinc/03/07/20/192030720.db2.gz UYFIXMOWORCMOJ-WFASDCNBSA-N -1 3 277.364 3.172 20 0 CGADHM O=C(COc1ccsc1)Nc1cc(Cl)ccc1[O-] ZINC000337532145 214141191 /nfs/dbraw/zinc/14/11/91/214141191.db2.gz STZDUIXJKOSATA-UHFFFAOYSA-N -1 3 283.736 3.125 20 0 CGADHM CC[C@]1(C)CCCN(C(=O)c2cccc(C)c2[O-])C1 ZINC000174752161 529395257 /nfs/dbraw/zinc/39/52/57/529395257.db2.gz LCVKZDGWIHTZBR-MRXNPFEDSA-N -1 3 261.365 3.353 20 0 CGADHM CN(C(=O)c1cc(F)c[n-]c1=O)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000622110022 349631443 /nfs/dbraw/zinc/63/14/43/349631443.db2.gz KSXPKEURSLQOHL-STQMWFEESA-N -1 3 294.370 3.213 20 0 CGADHM C[C@H]1CCC[C@@H](CC(=O)N=c2cc(-c3ccncc3)[n-][nH]2)C1 ZINC000338099454 214398654 /nfs/dbraw/zinc/39/86/54/214398654.db2.gz PERKZIZSWNAJFS-QWHCGFSZSA-N -1 3 298.390 3.049 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)NCc1ccc(Cl)s1 ZINC000622299927 349670301 /nfs/dbraw/zinc/67/03/01/349670301.db2.gz TYBUQKKSNTWEQJ-UHFFFAOYSA-N -1 3 299.754 3.105 20 0 CGADHM O=C(Nc1ncccc1[O-])c1ccc(Cl)c2ncccc12 ZINC000338186449 214437488 /nfs/dbraw/zinc/43/74/88/214437488.db2.gz RBDKEUQBQRTKQZ-UHFFFAOYSA-N -1 3 299.717 3.241 20 0 CGADHM CCc1ccc(C(=O)NCc2ccccc2C)c([O-])c1 ZINC000622282419 349667958 /nfs/dbraw/zinc/66/79/58/349667958.db2.gz TVMVLQLAKGJOFM-UHFFFAOYSA-N -1 3 269.344 3.193 20 0 CGADHM CCc1ccc(C(=O)NCc2ccc(C)s2)c([O-])c1 ZINC000622311325 349671366 /nfs/dbraw/zinc/67/13/66/349671366.db2.gz SWQUIJUACLKXLJ-UHFFFAOYSA-N -1 3 275.373 3.255 20 0 CGADHM CC[C@@H](CNC(=O)c1cc(OC)ccc1[O-])c1ccccc1 ZINC000436882737 529487853 /nfs/dbraw/zinc/48/78/53/529487853.db2.gz VLTLIOJNDTZMJQ-ZDUSSCGKSA-N -1 3 299.370 3.324 20 0 CGADHM Cc1cc(F)cc(NC(=O)c2cc(C(F)(F)F)n[n-]2)c1 ZINC000622452653 349680119 /nfs/dbraw/zinc/68/01/19/349680119.db2.gz SDEACFYAURUGQW-UHFFFAOYSA-N -1 3 287.216 3.128 20 0 CGADHM Cc1cc(F)cc(NC(=O)c2cc(C(F)(F)F)[n-]n2)c1 ZINC000622452653 349680122 /nfs/dbraw/zinc/68/01/22/349680122.db2.gz SDEACFYAURUGQW-UHFFFAOYSA-N -1 3 287.216 3.128 20 0 CGADHM CC(C)c1ccc(C(=O)NCC(C)(C)C(C)(C)O)c([O-])c1 ZINC000622666660 349692809 /nfs/dbraw/zinc/69/28/09/349692809.db2.gz GQYHDGRFWXXDLR-UHFFFAOYSA-N -1 3 293.407 3.043 20 0 CGADHM CCc1cc(C(=O)N2[C@H](C)CC[C@@H]2CC)ccc1[O-] ZINC000436704178 529515567 /nfs/dbraw/zinc/51/55/67/529515567.db2.gz JGDPCPHKAOVSIZ-RISCZKNCSA-N -1 3 261.365 3.358 20 0 CGADHM CC[C@@]1(C(C)C)C[C@H]1NC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000412430000 529521171 /nfs/dbraw/zinc/52/11/71/529521171.db2.gz UDNBICKRXUSWHG-WBVHZDCISA-N -1 3 289.375 3.149 20 0 CGADHM Cc1cc(F)ccc1C[C@H](C)NC(=O)c1ccccc1[O-] ZINC000622746620 349699180 /nfs/dbraw/zinc/69/91/80/349699180.db2.gz DMRGSYNZLRMEAN-LBPRGKRZSA-N -1 3 287.334 3.201 20 0 CGADHM Cc1cccc(C(=O)N[C@H](C)C2CCC(F)CC2)c1[O-] ZINC000622752921 349700368 /nfs/dbraw/zinc/70/03/68/349700368.db2.gz NQDLHBXJKOTGHU-PNESKVBLSA-N -1 3 279.355 3.347 20 0 CGADHM CC[C@H](NC(=O)c1ccc(C)c(C)c1[O-])C(F)(F)F ZINC000436832854 529565999 /nfs/dbraw/zinc/56/59/99/529565999.db2.gz WRJXPLZLUCOYLU-JTQLQIEISA-N -1 3 275.270 3.080 20 0 CGADHM O=C(c1ccccc1[O-])N1CC[C@H](Cc2ccccc2)C1 ZINC000126082466 187215727 /nfs/dbraw/zinc/21/57/27/187215727.db2.gz JECSSEPCBALDCW-OAHLLOKOSA-N -1 3 281.355 3.097 20 0 CGADHM CCc1ccc(C(=O)N2Cc3ccc(C)cc3C2)c([O-])c1 ZINC000436601774 529601563 /nfs/dbraw/zinc/60/15/63/529601563.db2.gz KIOAFYWVCHMRFF-UHFFFAOYSA-N -1 3 281.355 3.419 20 0 CGADHM CCc1ccc(CNC[C@H](CC(=O)[O-])c2ccccc2)o1 ZINC000426628069 529652931 /nfs/dbraw/zinc/65/29/31/529652931.db2.gz KDHBNWQAXRLBKF-AWEZNQCLSA-N -1 3 287.359 3.190 20 0 CGADHM CC[C@H](O)CNC(=O)c1cc(C(C)C)cc(C(C)C)c1[O-] ZINC000436727477 529707885 /nfs/dbraw/zinc/70/78/85/529707885.db2.gz ZDSFPIFHGBZCSL-ZDUSSCGKSA-N -1 3 293.407 3.140 20 0 CGADHM CC(C)(C)c1cc(C(=O)N2CCCc3cccc([O-])c32)n[nH]1 ZINC000155669273 136395825 /nfs/dbraw/zinc/39/58/25/136395825.db2.gz SMHRJTUPUMSODC-UHFFFAOYSA-N -1 3 299.374 3.006 20 0 CGADHM CCc1ccc([O-])c(C(=O)NCc2cc(C)ccc2OC)c1 ZINC000623472806 349815585 /nfs/dbraw/zinc/81/55/85/349815585.db2.gz HVBZRVMWBVBBJF-UHFFFAOYSA-N -1 3 299.370 3.202 20 0 CGADHM CN(C)c1ccc(-c2noc(-c3ccccc3[O-])n2)cc1F ZINC000436936849 529774830 /nfs/dbraw/zinc/77/48/30/529774830.db2.gz CTGDAKXBRJXXOR-UHFFFAOYSA-N -1 3 299.305 3.314 20 0 CGADHM O=C(Nc1ccc2c(c1)CCC2)c1cc(-c2ccco2)[n-]n1 ZINC000030565237 344923473 /nfs/dbraw/zinc/92/34/73/344923473.db2.gz OTZMRNGSMGEIEZ-UHFFFAOYSA-N -1 3 293.326 3.411 20 0 CGADHM O=C(Nc1ccc2c(c1)CCC2)c1cc(-c2ccco2)n[n-]1 ZINC000030565237 344923476 /nfs/dbraw/zinc/92/34/76/344923476.db2.gz OTZMRNGSMGEIEZ-UHFFFAOYSA-N -1 3 293.326 3.411 20 0 CGADHM O=C(/C=C/c1ccsc1)[N-]OCc1ccccc1 ZINC000031615926 344927515 /nfs/dbraw/zinc/92/75/15/344927515.db2.gz NVAQFYFXZOWASU-VOTSOKGWSA-N -1 3 259.330 3.009 20 0 CGADHM Cc1ccc(NC(=O)c2c[n-]c3ccccc3c2=O)cc1F ZINC000032656811 344933443 /nfs/dbraw/zinc/93/34/43/344933443.db2.gz HJHYJQGAZDWFLG-UHFFFAOYSA-N -1 3 296.301 3.228 20 0 CGADHM Cc1ccc(NC(=O)c2cnc3ccccc3c2[O-])cc1F ZINC000032656811 344933447 /nfs/dbraw/zinc/93/34/47/344933447.db2.gz HJHYJQGAZDWFLG-UHFFFAOYSA-N -1 3 296.301 3.228 20 0 CGADHM CCOCc1ccccc1CNC(=O)c1c(C)cccc1[O-] ZINC000623947328 349924718 /nfs/dbraw/zinc/92/47/18/349924718.db2.gz ZSJAKPHLWAVNGM-UHFFFAOYSA-N -1 3 299.370 3.167 20 0 CGADHM C[C@]1(C(=O)[O-])CCCN(Cc2ccc(Cl)cc2)C1 ZINC000062876762 345241201 /nfs/dbraw/zinc/24/12/01/345241201.db2.gz WYGSNNDTYGNVEH-AWEZNQCLSA-N -1 3 267.756 3.027 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2ccc3c(c2)OC(C)(C)O3)c1 ZINC000060758598 345222566 /nfs/dbraw/zinc/22/25/66/345222566.db2.gz QWURIISNRPQFGU-UHFFFAOYSA-N -1 3 299.326 3.460 20 0 CGADHM O=C([N-]c1cccc(F)c1F)c1cc(-c2ccco2)on1 ZINC000067331302 345318902 /nfs/dbraw/zinc/31/89/02/345318902.db2.gz VXIWZCXLSGEDPC-UHFFFAOYSA-N -1 3 290.225 3.465 20 0 CGADHM CC(C)(C)c1nsc([N-]C(=O)c2ccc(F)c(F)c2)n1 ZINC000068073646 345342634 /nfs/dbraw/zinc/34/26/34/345342634.db2.gz FAKYQMJQCKJIMQ-UHFFFAOYSA-N -1 3 297.330 3.366 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CCS[C@@H](C(C)C)C2)c1 ZINC000075349135 345501875 /nfs/dbraw/zinc/50/18/75/345501875.db2.gz GLLPEDRFJIXOKJ-OAHLLOKOSA-N -1 3 293.432 3.168 20 0 CGADHM O=c1[n-]c(-c2ccon2)nc2ccc(-c3ccccc3)cc12 ZINC000074797515 345483089 /nfs/dbraw/zinc/48/30/89/345483089.db2.gz JYWKFBMGKUXSSO-UHFFFAOYSA-N -1 3 289.294 3.245 20 0 CGADHM c1c2ccccc2[nH]c1C[N-]c1nc(C2CC2)no1 ZINC000076685033 345547486 /nfs/dbraw/zinc/54/74/86/345547486.db2.gz OWJXTAPJVDAHOL-UHFFFAOYSA-N -1 3 254.293 3.040 20 0 CGADHM Cc1ccc(-c2nc3ccc(Cl)cc3c(=O)[n-]2)o1 ZINC000077256959 345564453 /nfs/dbraw/zinc/56/44/53/345564453.db2.gz FWUVGJDPEXGQMV-UHFFFAOYSA-N -1 3 260.680 3.145 20 0 CGADHM O=C(c1ccccc1[O-])N1CCSC2(CCCCC2)C1 ZINC000080039015 345662987 /nfs/dbraw/zinc/66/29/87/345662987.db2.gz FVMSXTVLOKFWHD-UHFFFAOYSA-N -1 3 291.416 3.284 20 0 CGADHM CCc1cccc(C(=O)N2CCC[C@@H]3CCC[C@@H]32)c1[O-] ZINC000091682039 345820543 /nfs/dbraw/zinc/82/05/43/345820543.db2.gz DGEGWJAZBVYZJT-ZFWWWQNUSA-N -1 3 273.376 3.359 20 0 CGADHM Cc1cc2cc(NC(=O)c3c([O-])cccc3O)ccc2[nH]1 ZINC000092107909 345831626 /nfs/dbraw/zinc/83/16/26/345831626.db2.gz RCFDTQFCVRQXBH-UHFFFAOYSA-N -1 3 282.299 3.140 20 0 CGADHM CCc1cccc(C(=O)N(C)[C@@H](C)c2ccncc2)c1[O-] ZINC000094067863 345894412 /nfs/dbraw/zinc/89/44/12/345894412.db2.gz QIAKJQWPIDMULK-LBPRGKRZSA-N -1 3 284.359 3.183 20 0 CGADHM Cc1ccc([O-])c(CN[C@H]2CCCc3ccc(F)cc32)n1 ZINC000093115711 345869999 /nfs/dbraw/zinc/86/99/99/345869999.db2.gz UBAFKLSPRFXCGS-HNNXBMFYSA-N -1 3 286.350 3.402 20 0 CGADHM CC(C)Sc1ccc(CN2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000098150108 345910328 /nfs/dbraw/zinc/91/03/28/345910328.db2.gz GMFKRTRZIWNTFK-AWEZNQCLSA-N -1 3 293.432 3.484 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2Cc3ccccc3C[C@H]2C)c1 ZINC000172789303 232275218 /nfs/dbraw/zinc/27/52/18/232275218.db2.gz DZVZHVCUIAHLKA-CYBMUJFWSA-N -1 3 281.355 3.288 20 0 CGADHM CCOC(=O)c1ccc(NC(=O)c2ccc(C)cc2)c([O-])c1 ZINC000124786417 346013508 /nfs/dbraw/zinc/01/35/08/346013508.db2.gz OTMGAUHOYFARGB-UHFFFAOYSA-N -1 3 299.326 3.130 20 0 CGADHM O=C(Nc1cccc([O-])c1F)c1ccc(OC(F)F)cc1 ZINC000129431091 346049288 /nfs/dbraw/zinc/04/92/88/346049288.db2.gz YGTVNNVRCFIASD-UHFFFAOYSA-N -1 3 297.232 3.385 20 0 CGADHM O=C(NCc1ccc([O-])c(F)c1)c1cccc2ncccc21 ZINC000132773521 346073917 /nfs/dbraw/zinc/07/39/17/346073917.db2.gz BYZJMNNOYBEOMV-UHFFFAOYSA-N -1 3 296.301 3.010 20 0 CGADHM O=C(NCc1ccc([O-])c(F)c1)c1ccc(Cl)cc1 ZINC000133232997 346076472 /nfs/dbraw/zinc/07/64/72/346076472.db2.gz LXKOSOQXMDMUQJ-UHFFFAOYSA-N -1 3 279.698 3.115 20 0 CGADHM CCC(CC)c1nnc([N-]C(=O)c2ccoc2)s1 ZINC000138089391 346095500 /nfs/dbraw/zinc/09/55/00/346095500.db2.gz SNRHTVVCAYOEGS-UHFFFAOYSA-N -1 3 265.338 3.287 20 0 CGADHM Cc1sc(C(=O)[O-])cc1CN1C[C@@H](C)S[C@H](C)C1 ZINC000155986207 346157165 /nfs/dbraw/zinc/15/71/65/346157165.db2.gz TUQWRQSDZBHABN-RKDXNWHRSA-N -1 3 285.434 3.081 20 0 CGADHM C[C@@H]1CN(C(=O)c2cc([O-])ccc2Cl)C[C@@H](C)S1 ZINC000235325358 346335423 /nfs/dbraw/zinc/33/54/23/346335423.db2.gz SXLMOWDWRFLGLO-RKDXNWHRSA-N -1 3 285.796 3.012 20 0 CGADHM CN(C(=O)c1cc([O-])ccc1Cl)c1ccc(F)cc1 ZINC000234267324 346331296 /nfs/dbraw/zinc/33/12/96/346331296.db2.gz DWOARSRMCVLAPC-UHFFFAOYSA-N -1 3 279.698 3.461 20 0 CGADHM COc1ccc(N(C)C(=O)c2cc([O-])ccc2Cl)cc1 ZINC000234961585 346333366 /nfs/dbraw/zinc/33/33/66/346333366.db2.gz WFRLCBJGBYGJLL-UHFFFAOYSA-N -1 3 291.734 3.331 20 0 CGADHM O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1c(F)cccc1Cl ZINC000229219234 346316243 /nfs/dbraw/zinc/31/62/43/346316243.db2.gz WYKNDOCYDFGJLF-RULNRJAQSA-N -1 3 297.757 3.164 20 0 CGADHM O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1ccc(Cl)cc1F ZINC000229224497 346316475 /nfs/dbraw/zinc/31/64/75/346316475.db2.gz XOGIRSHTNYRAIJ-LQJRIPTKSA-N -1 3 297.757 3.164 20 0 CGADHM Cc1cc(CN2CCC(C(C)C)CC2)oc1C(=O)[O-] ZINC000232540726 346326239 /nfs/dbraw/zinc/32/62/39/346326239.db2.gz FTKTWLFIOBTYPU-UHFFFAOYSA-N -1 3 265.353 3.154 20 0 CGADHM C[C@@H](c1ccccc1)N1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC000251577069 346388931 /nfs/dbraw/zinc/38/89/31/346388931.db2.gz VNCJKABMRIDKEL-GWCFXTLKSA-N -1 3 287.281 3.087 20 0 CGADHM [O-]c1ccccc1-c1nc(CC2CC(F)(F)C2)no1 ZINC000351161396 346530698 /nfs/dbraw/zinc/53/06/98/346530698.db2.gz BTIHGCMVWPPNSD-UHFFFAOYSA-N -1 3 266.247 3.030 20 0 CGADHM CC[C@H](C(=O)Nc1nnc(-c2ccco2)[n-]1)c1ccccc1 ZINC000351752862 219195900 /nfs/dbraw/zinc/19/59/00/219195900.db2.gz CHHYTSQYAOKOFD-LBPRGKRZSA-N -1 3 296.330 3.197 20 0 CGADHM CC[C@H](C(=O)Nc1nc(-c2ccco2)n[n-]1)c1ccccc1 ZINC000351752862 219195902 /nfs/dbraw/zinc/19/59/02/219195902.db2.gz CHHYTSQYAOKOFD-LBPRGKRZSA-N -1 3 296.330 3.197 20 0 CGADHM CC[C@H](C(=O)Nc1n[n-]c(-c2ccco2)n1)c1ccccc1 ZINC000351752862 219195904 /nfs/dbraw/zinc/19/59/04/219195904.db2.gz CHHYTSQYAOKOFD-LBPRGKRZSA-N -1 3 296.330 3.197 20 0 CGADHM Cc1csc(CCCC(=O)[N-]OCc2ccccc2)n1 ZINC000283129861 232568551 /nfs/dbraw/zinc/56/85/51/232568551.db2.gz ZNYKMSUSPFBJOG-UHFFFAOYSA-N -1 3 290.388 3.022 20 0 CGADHM Cc1ccc2nccc(N3CCC(CC(=O)[O-])CC3)c2c1 ZINC000584616753 346693744 /nfs/dbraw/zinc/69/37/44/346693744.db2.gz KXYKIRHUDDVAPW-UHFFFAOYSA-N -1 3 284.359 3.234 20 0 CGADHM COC(=O)c1cnc(S[C@@H]2C=CCCCCC2)[n-]1 ZINC000588310527 346759611 /nfs/dbraw/zinc/75/96/11/346759611.db2.gz XEAXVNRSGVHWDW-SNVBAGLBSA-N -1 3 266.366 3.177 20 0 CGADHM CO[C@@]1(C)C[C@H](N(C)Cc2c(F)ccc([O-])c2F)C1(C)C ZINC000351767145 219201206 /nfs/dbraw/zinc/20/12/06/219201206.db2.gz UCLGNIDKNGKZIO-BBRMVZONSA-N -1 3 299.361 3.306 20 0 CGADHM CCS[C@H]1CCCCN(Cc2cc(C(=O)[O-])oc2C)C1 ZINC000593736660 347109642 /nfs/dbraw/zinc/10/96/42/347109642.db2.gz QSQPSTAJEFSOQI-ZDUSSCGKSA-N -1 3 297.420 3.394 20 0 CGADHM CC[C@@H](NCc1cccc([O-])c1Cl)[C@H]1CCCO1 ZINC000339326428 215097315 /nfs/dbraw/zinc/09/73/15/215097315.db2.gz XVDOPGLKHWFCCK-DGCLKSJQSA-N -1 3 269.772 3.093 20 0 CGADHM Cc1ccccc1C1(C(=O)Nc2ncccc2[O-])CCC1 ZINC000351876577 219234652 /nfs/dbraw/zinc/23/46/52/219234652.db2.gz GJIAQVNQPXEAJM-UHFFFAOYSA-N -1 3 282.343 3.156 20 0 CGADHM CCSCc1cc(C(=O)[N-]c2nc(C(C)C)co2)no1 ZINC000602391278 347952857 /nfs/dbraw/zinc/95/28/57/347952857.db2.gz BCUYIYMAYYFSHL-UHFFFAOYSA-N -1 3 295.364 3.291 20 0 CGADHM [O-]c1cccc(CN[C@@H]2CC23CCCC3)c1Cl ZINC000339370993 215130427 /nfs/dbraw/zinc/13/04/27/215130427.db2.gz CVPFIWAKFLUFJK-GFCCVEGCSA-N -1 3 251.757 3.468 20 0 CGADHM CC(C)(C)CCC(=O)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000606530725 348189930 /nfs/dbraw/zinc/18/99/30/348189930.db2.gz PCIRXBYLURBOJU-UHFFFAOYSA-N -1 3 271.364 3.263 20 0 CGADHM C[C@H](C(=O)Nc1cc(Cl)ccc1[O-])c1ccco1 ZINC000608354855 348299828 /nfs/dbraw/zinc/29/98/28/348299828.db2.gz WFOYCPWBTLFPHV-QMMMGPOBSA-N -1 3 265.696 3.381 20 0 CGADHM CC[C@H](C)C(=O)N=c1[nH][n-]c(C)c1-c1cccc(Cl)c1 ZINC000608468359 348310817 /nfs/dbraw/zinc/31/08/17/348310817.db2.gz GCNZWZHQZJVSJD-VIFPVBQESA-N -1 3 291.782 3.445 20 0 CGADHM O=C(Cc1cncc([O-])c1)N(CC1CCC1)c1ccccc1 ZINC000612081220 348492139 /nfs/dbraw/zinc/49/21/39/348492139.db2.gz FZSALMQZJACERA-UHFFFAOYSA-N -1 3 296.370 3.163 20 0 CGADHM Cc1ccn([C@@H](C)CC(=O)Nc2cc(Cl)ccc2[O-])n1 ZINC000612754813 348544037 /nfs/dbraw/zinc/54/40/37/348544037.db2.gz RPMZMCXLZNVLNL-JTQLQIEISA-N -1 3 293.754 3.140 20 0 CGADHM CO[C@H](C(=O)N1CC[C@H](C)c2cccc([O-])c21)C1CCC1 ZINC000613575471 348620026 /nfs/dbraw/zinc/62/00/26/348620026.db2.gz DCYQWSQQXYIFFJ-ZBEGNZNMSA-N -1 3 289.375 3.048 20 0 CGADHM O=C(CCC1CCC1)NCc1ccc([O-])c2ncccc12 ZINC000616024448 348782445 /nfs/dbraw/zinc/78/24/45/348782445.db2.gz CFAOPZGKGUARTL-UHFFFAOYSA-N -1 3 284.359 3.137 20 0 CGADHM CSc1ccc([O-])c(C(=O)N[C@@H]2CCCC[C@H]2F)c1 ZINC000616283689 348806966 /nfs/dbraw/zinc/80/69/66/348806966.db2.gz XKOXBHFBZQYRPC-VXGBXAGGSA-N -1 3 283.368 3.125 20 0 CGADHM CCc1cc(C(=O)Nc2cc([C@H]3C[C@H]3C)[nH]n2)ccc1[O-] ZINC000616438137 348820307 /nfs/dbraw/zinc/82/03/07/348820307.db2.gz FPVWGURHSSVQLM-SKDRFNHKSA-N -1 3 285.347 3.053 20 0 CGADHM O=C(c1ccc2[nH][n-]c(=O)c2c1)N1CCCC[C@H]1C1CCC1 ZINC000616505212 348827501 /nfs/dbraw/zinc/82/75/01/348827501.db2.gz JIIOSIOVHQPGLW-HNNXBMFYSA-N -1 3 299.374 3.063 20 0 CGADHM CSc1ccc([O-])c(C(=O)NC2CC3(CCC3)C2)c1 ZINC000616565292 348833420 /nfs/dbraw/zinc/83/34/20/348833420.db2.gz VDBOGOWZBCABHG-UHFFFAOYSA-N -1 3 277.389 3.177 20 0 CGADHM O=C(Nc1ccc([O-])cc1Cl)[C@@H]1CC12CCC2 ZINC000616940952 348885116 /nfs/dbraw/zinc/88/51/16/348885116.db2.gz LCVOAWFVOCKDIT-VIFPVBQESA-N -1 3 251.713 3.174 20 0 CGADHM CC1(C)CN(C(=O)c2cccc([O-])c2)CCc2ccccc21 ZINC000617521236 348965455 /nfs/dbraw/zinc/96/54/55/348965455.db2.gz RESKVAJCFDRHSN-UHFFFAOYSA-N -1 3 295.382 3.368 20 0 CGADHM CCc1cc(C(=O)N2CCC[C@H](CCF)C2)ccc1[O-] ZINC000618697182 349146757 /nfs/dbraw/zinc/14/67/57/349146757.db2.gz AORZOXJMYIDFAB-GFCCVEGCSA-N -1 3 279.355 3.166 20 0 CGADHM O=c1cc(C=Cc2ccc3c(c2)CCO3)nc(C2CC2)[n-]1 ZINC000352027613 219292845 /nfs/dbraw/zinc/29/28/45/219292845.db2.gz QCBSPTBLBQTRKM-KTAJNNJTSA-N -1 3 280.327 3.165 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2cn(C)nc2C2CCCCC2)n1 ZINC000352038964 219298676 /nfs/dbraw/zinc/29/86/76/219298676.db2.gz BEMPTQYXTVMREU-CMDGGOBGSA-N -1 3 298.390 3.442 20 0 CGADHM CCc1cc(C(=O)Nc2ccnn2C(C)(C)C)ccc1[O-] ZINC000620619784 349395860 /nfs/dbraw/zinc/39/58/60/349395860.db2.gz VVFMDIQJAPZEFA-UHFFFAOYSA-N -1 3 287.363 3.158 20 0 CGADHM Cc1noc(C)c1[C@@H](C)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000624242861 350010178 /nfs/dbraw/zinc/01/01/78/350010178.db2.gz PECWCLJDUXFZSS-SSDOTTSWSA-N -1 3 294.738 3.393 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000624757733 350100147 /nfs/dbraw/zinc/10/01/47/350100147.db2.gz ZAJGPMICLMVPRI-DGKWVBSXSA-N -1 3 285.387 3.351 20 0 CGADHM Cc1ccc(C(=O)N(C)[C@H](C)c2ccncc2)c([O-])c1C ZINC000271227074 191015213 /nfs/dbraw/zinc/01/52/13/191015213.db2.gz HNUOASQIYJLOSC-CYBMUJFWSA-N -1 3 284.359 3.237 20 0 CGADHM Cc1cnc(CCN(C)Cc2cc([O-])ccc2Cl)s1 ZINC000625266759 350149428 /nfs/dbraw/zinc/14/94/28/350149428.db2.gz HKQAXBJASUITAT-UHFFFAOYSA-N -1 3 296.823 3.485 20 0 CGADHM CN(Cc1cc([O-])ccc1Cl)CC(F)(F)F ZINC000625160404 350135856 /nfs/dbraw/zinc/13/58/56/350135856.db2.gz IKSWHFLCBJUELK-UHFFFAOYSA-N -1 3 253.651 3.040 20 0 CGADHM CC[C@H]1CN(Cc2cc([O-])ccc2Cl)CCCO1 ZINC000625390209 350167708 /nfs/dbraw/zinc/16/77/08/350167708.db2.gz RMJDHIPDAURATE-ZDUSSCGKSA-N -1 3 269.772 3.047 20 0 CGADHM CN(CCc1ccncc1)Cc1cc([O-])ccc1Cl ZINC000625281092 350151854 /nfs/dbraw/zinc/15/18/54/350151854.db2.gz NSQSXKDOXNIKNK-UHFFFAOYSA-N -1 3 276.767 3.115 20 0 CGADHM CO[C@H]1CCN(Cc2cc([O-])ccc2Cl)[C@@H](C)C1 ZINC000625392449 350167538 /nfs/dbraw/zinc/16/75/38/350167538.db2.gz FHORCWFGPMJDSN-GWCFXTLKSA-N -1 3 269.772 3.045 20 0 CGADHM CCOC1(C)CCN(Cc2cc([O-])ccc2Cl)CC1 ZINC000625444137 350172380 /nfs/dbraw/zinc/17/23/80/350172380.db2.gz VUEDHOJAOZRNNY-UHFFFAOYSA-N -1 3 283.799 3.437 20 0 CGADHM Cc1ccc(CN(C)Cc2cc([O-])ccc2Cl)nc1 ZINC000625467249 350176386 /nfs/dbraw/zinc/17/63/86/350176386.db2.gz BKBOWXWZPVEWQG-UHFFFAOYSA-N -1 3 276.767 3.381 20 0 CGADHM C[C@H]1CN(Cc2cc([O-])ccc2Cl)CC2(CCC2)O1 ZINC000625508960 350179699 /nfs/dbraw/zinc/17/96/99/350179699.db2.gz KDWWDAZYQRAQRR-NSHDSACASA-N -1 3 281.783 3.189 20 0 CGADHM CC[C@@H]1CCCN(C(=O)c2c(C)cccc2[O-])CC1 ZINC000625704474 350200846 /nfs/dbraw/zinc/20/08/46/350200846.db2.gz UGFMIYFMBPDHEC-CYBMUJFWSA-N -1 3 261.365 3.353 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1C[C@H](C)CC(C)(C)C1 ZINC000626430230 350305319 /nfs/dbraw/zinc/30/53/19/350305319.db2.gz WQYCXFRQIGINCC-LLVKDONJSA-N -1 3 261.365 3.209 20 0 CGADHM Cc1ncsc1NC(=O)c1c[n-]nc1-c1ccccc1 ZINC000352150060 219337866 /nfs/dbraw/zinc/33/78/66/219337866.db2.gz RWKDYYVIQCLZQD-UHFFFAOYSA-N -1 3 284.344 3.094 20 0 CGADHM Cc1cc(=O)[n-]c(C(C)(C)NC[C@H]2C[C@@H]2c2ccccc2)n1 ZINC000628374967 350520035 /nfs/dbraw/zinc/52/00/35/350520035.db2.gz PUNBNMJOOSRQNV-HUUCEWRRSA-N -1 3 297.402 3.119 20 0 CGADHM CC[C@H](C)c1cccc([N-]S(=O)(=O)C[C@H]2CCCO2)c1 ZINC000629313781 350675069 /nfs/dbraw/zinc/67/50/69/350675069.db2.gz RLRCBGSVPGOOIB-SWLSCSKDSA-N -1 3 297.420 3.121 20 0 CGADHM Cn1ncc2c1nc(SCCC1=CCCCC1)[n-]c2=O ZINC000629220039 350670194 /nfs/dbraw/zinc/67/01/94/350670194.db2.gz JRHKVXNLJISHFB-UHFFFAOYSA-N -1 3 290.392 3.052 20 0 CGADHM CCC[C@@H](C)CCCSc1nc2nncc-2c(O)[n-]1 ZINC000629357326 350675969 /nfs/dbraw/zinc/67/59/69/350675969.db2.gz VYQWOTRQTSTTJZ-SECBINFHSA-N -1 3 280.397 3.367 20 0 CGADHM C[C@H](c1ccc(C(=O)[O-])o1)N1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000629364575 350678367 /nfs/dbraw/zinc/67/83/67/350678367.db2.gz NZWDBPVJEIJIFQ-KXUCPTDWSA-N -1 3 287.306 3.262 20 0 CGADHM O=C([O-])[C@@H]1CCN(Cc2ccccc2Cl)[C@@H]2CCC[C@@H]21 ZINC000629374572 350682177 /nfs/dbraw/zinc/68/21/77/350682177.db2.gz XFKATRKJVWDHNW-UMVBOHGHSA-N -1 3 293.794 3.415 20 0 CGADHM O=C([O-])[C@@H]1CCN(Cc2cc(F)cc(F)c2)[C@H]2CCC[C@H]21 ZINC000629373594 350682683 /nfs/dbraw/zinc/68/26/83/350682683.db2.gz KCLOQUUQEWJZAF-ZNMIVQPWSA-N -1 3 295.329 3.040 20 0 CGADHM C[C@@H](CCCNCc1c(F)ccc(F)c1Cl)C(=O)[O-] ZINC000630450566 350841835 /nfs/dbraw/zinc/84/18/35/350841835.db2.gz DCGJODNWBPDUTA-QMMMGPOBSA-N -1 3 291.725 3.209 20 0 CGADHM Cc1cc(C)c(CSc2ncc(C)c(=O)[n-]2)c(C)n1 ZINC000631018299 350925342 /nfs/dbraw/zinc/92/53/42/350925342.db2.gz XMESCIHLNVCPMR-UHFFFAOYSA-N -1 3 275.377 3.103 20 0 CGADHM CCCc1nnc([N-]C(=O)c2ccc(C)c(F)c2F)s1 ZINC000630800702 350889860 /nfs/dbraw/zinc/88/98/60/350889860.db2.gz JLKQATVYUYXDBQ-UHFFFAOYSA-N -1 3 297.330 3.330 20 0 CGADHM CCc1cc(C(=O)NCCCOC2CCCC2)ccc1[O-] ZINC000291404392 198012208 /nfs/dbraw/zinc/01/22/08/198012208.db2.gz BOISEBDAUHDPKK-UHFFFAOYSA-N -1 3 291.391 3.034 20 0 CGADHM O=C([O-])C1CCC(N[C@@H](CF)c2ccc(F)cc2)CC1 ZINC000635328513 351650523 /nfs/dbraw/zinc/65/05/23/351650523.db2.gz PBVOIQQXKRCMHK-UBHUBRDASA-N -1 3 283.318 3.069 20 0 CGADHM Cc1ccc(NC(=O)[C@](C)(O)[C@H](C)c2ccccc2)c([O-])c1 ZINC000122532429 187036774 /nfs/dbraw/zinc/03/67/74/187036774.db2.gz HBRRQZHXRITUHD-FZKQIMNGSA-N -1 3 299.370 3.194 20 0 CGADHM CC(C)Cn1nccc1NC(=O)c1cc([O-])ccc1Cl ZINC000339893206 215384232 /nfs/dbraw/zinc/38/42/32/215384232.db2.gz MIDGVXVKMBQXTO-UHFFFAOYSA-N -1 3 293.754 3.150 20 0 CGADHM O=C([N-]OC1CCCC1)[C@H]1C[C@H]1c1c(F)cccc1F ZINC000271639403 191254122 /nfs/dbraw/zinc/25/41/22/191254122.db2.gz CIYSSORYLYUVBW-MNOVXSKESA-N -1 3 281.302 3.059 20 0 CGADHM CCC(CC)c1nnc([N-]C(=O)c2nc(C)oc2C)s1 ZINC000292401361 198273465 /nfs/dbraw/zinc/27/34/65/198273465.db2.gz CQOLUEXLERNVBE-UHFFFAOYSA-N -1 3 294.380 3.299 20 0 CGADHM CCCCN(C)C(=O)c1c[n-]c2c(C)cccc2c1=O ZINC000155101615 188182095 /nfs/dbraw/zinc/18/20/95/188182095.db2.gz VFKAWHFOBFCKHT-UHFFFAOYSA-N -1 3 272.348 3.121 20 0 CGADHM Cc1ccc(F)c(NC([O-])=NOCCC(F)(F)F)c1 ZINC000156156828 188245962 /nfs/dbraw/zinc/24/59/62/188245962.db2.gz MIICPLYXOXNCAV-UHFFFAOYSA-N -1 3 280.221 3.140 20 0 CGADHM Cc1ccc(F)c(NC(=O)[N-]OCCC(F)(F)F)c1 ZINC000156156828 188245963 /nfs/dbraw/zinc/24/59/63/188245963.db2.gz MIICPLYXOXNCAV-UHFFFAOYSA-N -1 3 280.221 3.140 20 0 CGADHM Cc1cc(F)cc(NC([O-])=NOCCC(F)(F)F)c1 ZINC000157633098 188329011 /nfs/dbraw/zinc/32/90/11/188329011.db2.gz YFILUZLBBUPOHV-UHFFFAOYSA-N -1 3 280.221 3.140 20 0 CGADHM Cc1cc(F)cc(NC(=O)[N-]OCCC(F)(F)F)c1 ZINC000157633098 188329012 /nfs/dbraw/zinc/32/90/12/188329012.db2.gz YFILUZLBBUPOHV-UHFFFAOYSA-N -1 3 280.221 3.140 20 0 CGADHM CCCOc1cc(C)ccc1NC([O-])=NOCC1CC1 ZINC000292631394 198357569 /nfs/dbraw/zinc/35/75/69/198357569.db2.gz LZLYBGKJRGRKQA-UHFFFAOYSA-N -1 3 278.352 3.247 20 0 CGADHM CCCOc1cc(C)ccc1NC(=O)[N-]OCC1CC1 ZINC000292631394 198357570 /nfs/dbraw/zinc/35/75/70/198357570.db2.gz LZLYBGKJRGRKQA-UHFFFAOYSA-N -1 3 278.352 3.247 20 0 CGADHM Cc1nn(C(C)(C)C)cc1[C@H](C)[N-]c1nnc(C(F)F)o1 ZINC000292662322 198367254 /nfs/dbraw/zinc/36/72/54/198367254.db2.gz AJHVWOGRJNJTAM-ZETCQYMHSA-N -1 3 299.325 3.440 20 0 CGADHM CCc1nc(C(=O)[N-]c2c(F)cc(F)cc2F)c(C)o1 ZINC000336427975 213288483 /nfs/dbraw/zinc/28/84/83/213288483.db2.gz YAIXIOYBASCJEV-UHFFFAOYSA-N -1 3 284.237 3.215 20 0 CGADHM COCc1ccc(C=Cc2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC000414083966 235332719 /nfs/dbraw/zinc/33/27/19/235332719.db2.gz WSEUCAVMOWEYNN-RMKNXTFCSA-N -1 3 282.343 3.376 20 0 CGADHM CC(C)[C@H]1C[C@@H](CC(=O)Nc2cc(F)ccc2[O-])CCO1 ZINC000272739758 191892115 /nfs/dbraw/zinc/89/21/15/191892115.db2.gz BZTQMUJSAHXHGF-XHDPSFHLSA-N -1 3 295.354 3.311 20 0 CGADHM CC[C@@H](C)CN(CC)C(=O)NCc1ccc([O-])c(F)c1 ZINC000174912530 188923527 /nfs/dbraw/zinc/92/35/27/188923527.db2.gz MNMXSJTUOFTVFA-LLVKDONJSA-N -1 3 282.359 3.109 20 0 CGADHM CCS[C@H](C)c1noc(-c2ccccc2[O-])n1 ZINC000273795634 192310347 /nfs/dbraw/zinc/31/03/47/192310347.db2.gz BFTHVHORNDVQTL-MRVPVSSYSA-N -1 3 250.323 3.256 20 0 CGADHM Cn1cc(CCC(=O)Nc2ccccc2[O-])c2ccccc21 ZINC000124187606 138373093 /nfs/dbraw/zinc/37/30/93/138373093.db2.gz QGOGUIILMNGLOQ-UHFFFAOYSA-N -1 3 294.354 3.455 20 0 CGADHM COc1cccc(Cl)c1CN[C@@H](C)[C@H](C(=O)[O-])C(C)C ZINC000424617947 236172889 /nfs/dbraw/zinc/17/28/89/236172889.db2.gz JDCMCVURRKSKAI-IINYFYTJSA-N -1 3 299.798 3.184 20 0 CGADHM CCC1(CC)CN(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000294523043 199071912 /nfs/dbraw/zinc/07/19/12/199071912.db2.gz UOUWXBOXNJADTA-UHFFFAOYSA-N -1 3 267.756 3.308 20 0 CGADHM CC[C@H]1CN(Cc2cccc([O-])c2Cl)CCCO1 ZINC000294511669 199068310 /nfs/dbraw/zinc/06/83/10/199068310.db2.gz CAYQJROEUCHWHM-LBPRGKRZSA-N -1 3 269.772 3.047 20 0 CGADHM O=C([O-])CCCCCNCc1coc(-c2ccccc2)n1 ZINC000426688068 236306620 /nfs/dbraw/zinc/30/66/20/236306620.db2.gz NYTCKERUZMORFY-UHFFFAOYSA-N -1 3 288.347 3.076 20 0 CGADHM Cc1ccc([C@@H](NCc2ccc(F)c(C)c2)C(=O)[O-])cc1 ZINC000426715018 236307924 /nfs/dbraw/zinc/30/79/24/236307924.db2.gz PHVXMBIDRQTRGU-MRXNPFEDSA-N -1 3 287.334 3.358 20 0 CGADHM Cc1cc(C)cc(CN[C@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC000426763869 236312677 /nfs/dbraw/zinc/31/26/77/236312677.db2.gz FIERDWNMFKPQPG-INIZCTEOSA-N -1 3 287.334 3.358 20 0 CGADHM O=C(CCc1ccc2ccccc2c1[O-])NC1CCC1 ZINC000294645433 199120023 /nfs/dbraw/zinc/12/00/23/199120023.db2.gz PFSBRMKOEUELEL-UHFFFAOYSA-N -1 3 269.344 3.147 20 0 CGADHM C[C@@H]1CN(C(=O)Cc2ccc([O-])c(F)c2)[C@@H]1c1ccccc1 ZINC000336209252 213032117 /nfs/dbraw/zinc/03/21/17/213032117.db2.gz BRNQGMWKZUQLCZ-XIKOKIGWSA-N -1 3 299.345 3.293 20 0 CGADHM [O-]c1cccc(CN2CCC[C@H]2[C@@H]2CCCO2)c1Cl ZINC000294819923 199198579 /nfs/dbraw/zinc/19/85/79/199198579.db2.gz XMZABVPHUGZROD-JSGCOSHPSA-N -1 3 281.783 3.189 20 0 CGADHM C/C=C\c1ccc([N-]S(=O)(=O)C[C@@H]2CCCCO2)cc1 ZINC000341058641 215815405 /nfs/dbraw/zinc/81/54/05/215815405.db2.gz DVTHZTCFLPQPDF-PRSOIBJXSA-N -1 3 295.404 3.031 20 0 CGADHM Cc1ccnc(-c2noc(/C=C/c3cccc([O-])c3)n2)c1 ZINC000435952945 237007385 /nfs/dbraw/zinc/00/73/85/237007385.db2.gz MLRTUEKRKCYCPV-AATRIKPKSA-N -1 3 279.299 3.316 20 0 CGADHM Cc1cc(C(=O)N[C@H]2CCCO[C@@H]2CC(C)C)ccc1[O-] ZINC000274855859 192809814 /nfs/dbraw/zinc/80/98/14/192809814.db2.gz QKFJGLQHWUKQAG-GOEBONIOSA-N -1 3 291.391 3.024 20 0 CGADHM COc1cccc(C(=O)Nc2ncccc2C(C)C)c1[O-] ZINC000436485789 237116031 /nfs/dbraw/zinc/11/60/31/237116031.db2.gz LRYABYSUIMTQIZ-UHFFFAOYSA-N -1 3 286.331 3.172 20 0 CGADHM Cc1ccc(C(=O)NCCCOc2ccccc2C)c([O-])c1 ZINC000436673466 237157124 /nfs/dbraw/zinc/15/71/24/237157124.db2.gz QSSMSPMFNLDBIQ-UHFFFAOYSA-N -1 3 299.370 3.208 20 0 CGADHM Cc1ccc(C(=O)NC/C=C\c2ccccc2)c([O-])c1 ZINC000436546699 237127808 /nfs/dbraw/zinc/12/78/08/237127808.db2.gz LAWCHJXZRRBTDS-YVMONPNESA-N -1 3 267.328 3.144 20 0 CGADHM Cc1cccc(OC[C@@H](C)NC(=O)c2cc(C)ccc2[O-])c1 ZINC000436673994 237158743 /nfs/dbraw/zinc/15/87/43/237158743.db2.gz TYMWPBLWOBHAFG-CQSZACIVSA-N -1 3 299.370 3.206 20 0 CGADHM Cc1ccc(C(=O)N(C)c2ccccc2)c([O-])c1C ZINC000436754044 237175026 /nfs/dbraw/zinc/17/50/26/237175026.db2.gz GMTXGQZUNUAVCA-UHFFFAOYSA-N -1 3 255.317 3.286 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)Nc1ccc2cnccc2c1 ZINC000296940127 200040467 /nfs/dbraw/zinc/04/04/67/200040467.db2.gz OHVSQNBSFHAXRE-NSHDSACASA-N -1 3 273.336 3.334 20 0 CGADHM COCc1cccc(Cc2nc(-c3ccc([O-])cc3)no2)c1 ZINC000436868115 237196468 /nfs/dbraw/zinc/19/64/68/237196468.db2.gz GFZVLSGNFMWWEV-UHFFFAOYSA-N -1 3 296.326 3.179 20 0 CGADHM Cc1ccccc1OCCN(C)C(=O)c1ccc([O-])c(C)c1 ZINC000436900028 237204641 /nfs/dbraw/zinc/20/46/41/237204641.db2.gz AVEHZMHEFRJAJS-UHFFFAOYSA-N -1 3 299.370 3.160 20 0 CGADHM Cn1ccc(-c2noc(-c3cc4c(cc3[O-])CCCC4)n2)c1 ZINC000436885986 237205572 /nfs/dbraw/zinc/20/55/72/237205572.db2.gz MCBWLBXFOOJSGS-UHFFFAOYSA-N -1 3 295.342 3.327 20 0 CGADHM O=c1[nH]c(CSCc2ccco2)nc2ccc([O-])cc12 ZINC000436914572 237209154 /nfs/dbraw/zinc/20/91/54/237209154.db2.gz ZRHKIYIVMRPCMB-UHFFFAOYSA-N -1 3 288.328 3.067 20 0 CGADHM Cc1cc2c([nH]c(-c3ccc([O-])cc3C)nc2=O)s1 ZINC000436920966 237210278 /nfs/dbraw/zinc/21/02/78/237210278.db2.gz IJAQBAXMKLCRPQ-UHFFFAOYSA-N -1 3 272.329 3.386 20 0 CGADHM Cc1cc(C(=O)N2CCc3ccccc3[C@@H]2C)ccc1[O-] ZINC000436931342 237211597 /nfs/dbraw/zinc/21/15/97/237211597.db2.gz BEZIGNKEUSWYTM-ZDUSSCGKSA-N -1 3 281.355 3.460 20 0 CGADHM Cc1cc(Cc2noc(-c3ccc(C(C)C)cc3[O-])n2)no1 ZINC000436930824 237213829 /nfs/dbraw/zinc/21/38/29/237213829.db2.gz ISUDLVNDBPWPJV-UHFFFAOYSA-N -1 3 299.330 3.453 20 0 CGADHM Cc1onc(C2CC2)c1C(=O)Nc1ccc(C)cc1[O-] ZINC000336231389 213060400 /nfs/dbraw/zinc/06/04/00/213060400.db2.gz AEWUEVCECZAKPK-UHFFFAOYSA-N -1 3 272.304 3.127 20 0 CGADHM Cc1coc(-c2cc(NC([O-])=NOC(C)C)ccc2C)n1 ZINC000297018964 200063664 /nfs/dbraw/zinc/06/36/64/200063664.db2.gz JGVUOUWVGHRUJP-UHFFFAOYSA-N -1 3 289.335 3.420 20 0 CGADHM Cc1coc(-c2cc(NC(=O)[N-]OC(C)C)ccc2C)n1 ZINC000297018964 200063666 /nfs/dbraw/zinc/06/36/66/200063666.db2.gz JGVUOUWVGHRUJP-UHFFFAOYSA-N -1 3 289.335 3.420 20 0 CGADHM Cc1ccc(NC(=O)c2c[n-]nc2-c2ccncc2)cc1C ZINC000341652490 216051994 /nfs/dbraw/zinc/05/19/94/216051994.db2.gz YIYZDMTYJNMIMG-UHFFFAOYSA-N -1 3 292.342 3.341 20 0 CGADHM Cc1ccc(NC(=O)c2cn[n-]c2-c2ccncc2)cc1C ZINC000341652490 216051997 /nfs/dbraw/zinc/05/19/97/216051997.db2.gz YIYZDMTYJNMIMG-UHFFFAOYSA-N -1 3 292.342 3.341 20 0 CGADHM CCOc1cc(CN2CCC[C@H]2CF)cc(Cl)c1[O-] ZINC000297521750 200217707 /nfs/dbraw/zinc/21/77/07/200217707.db2.gz WWKIMEZYCQOENN-NSHDSACASA-N -1 3 287.762 3.378 20 0 CGADHM CC(=O)c1cc(C(=O)Nc2ccc([O-])cc2F)cs1 ZINC000335937587 212723615 /nfs/dbraw/zinc/72/36/15/212723615.db2.gz MRXNTTLDFZLFMG-UHFFFAOYSA-N -1 3 279.292 3.048 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)Nc1ccc([C@H]2CCOC2)cc1 ZINC000297582963 200233487 /nfs/dbraw/zinc/23/34/87/200233487.db2.gz YTTVYSBLTYVZTM-JSGCOSHPSA-N -1 3 292.379 3.290 20 0 CGADHM CCOc1cc(CN2CCO[C@@H](CC)C2)cc(Cl)c1[O-] ZINC000298004980 200316443 /nfs/dbraw/zinc/31/64/43/200316443.db2.gz ZYCLKYUVVMUXTB-LBPRGKRZSA-N -1 3 299.798 3.055 20 0 CGADHM CCC1(NC(=O)c2c[n-]c3ccccc3c2=O)CCC1 ZINC000298146885 200345060 /nfs/dbraw/zinc/34/50/60/200345060.db2.gz BHPMVIDSJGKFIQ-UHFFFAOYSA-N -1 3 270.332 3.003 20 0 CGADHM Cc1ccc([O-])c(C(=O)N([C@@H](C)C2CC2)C2CC2)c1 ZINC000298279324 200382371 /nfs/dbraw/zinc/38/23/71/200382371.db2.gz BDLPXQPLYPDCSX-NSHDSACASA-N -1 3 259.349 3.104 20 0 CGADHM [O-]c1ccc(F)c(CN2CCc3ccccc3C2)c1F ZINC000438847193 238211648 /nfs/dbraw/zinc/21/16/48/238211648.db2.gz MGWZSFFBYPPMAC-UHFFFAOYSA-N -1 3 275.298 3.229 20 0 CGADHM Cc1noc(C)c1[N-]C(=O)c1nc(C(C)C)ncc1Cl ZINC000299483205 200742601 /nfs/dbraw/zinc/74/26/01/200742601.db2.gz GMEOUOAUZAZUKI-UHFFFAOYSA-N -1 3 294.742 3.111 20 0 CGADHM CC[N@H+](CCCCC(=O)[O-])[C@H](C)c1cccc([O-])c1 ZINC000181547266 189300600 /nfs/dbraw/zinc/30/06/00/189300600.db2.gz OVFXVHXWPRECCH-GFCCVEGCSA-N -1 3 265.353 3.030 20 0 CGADHM CC[N@@H+](CCCCC(=O)[O-])[C@H](C)c1cccc([O-])c1 ZINC000181547266 189300601 /nfs/dbraw/zinc/30/06/01/189300601.db2.gz OVFXVHXWPRECCH-GFCCVEGCSA-N -1 3 265.353 3.030 20 0 CGADHM Cc1csc([C@H](NC(=O)c2cccc([O-])c2)C2CC2)n1 ZINC000182507519 189326115 /nfs/dbraw/zinc/32/61/15/189326115.db2.gz YGVYYKYFXJEWIS-CYBMUJFWSA-N -1 3 288.372 3.038 20 0 CGADHM [O-]c1ccc(CNc2c(F)c(F)nc(F)c2F)cc1F ZINC000301615935 201098060 /nfs/dbraw/zinc/09/80/60/201098060.db2.gz VLKWGLRFKMWUDR-UHFFFAOYSA-N -1 3 290.191 3.095 20 0 CGADHM Cc1nn(C(C)(C)C)cc1C(=O)Nc1ccc(C)cc1[O-] ZINC000184026220 189374708 /nfs/dbraw/zinc/37/47/08/189374708.db2.gz BXZSVPQCCLAJCJ-UHFFFAOYSA-N -1 3 287.363 3.213 20 0 CGADHM CCc1cc(=O)[n-]c(-c2ccc(N3[C@H](C)CC[C@H]3C)nc2)n1 ZINC000301880649 201246580 /nfs/dbraw/zinc/24/65/80/201246580.db2.gz HZAFVGCOPRWAOX-VXGBXAGGSA-N -1 3 298.390 3.184 20 0 CGADHM CC(=O)c1cc(F)c([N-]C(=O)c2oc(C)nc2C)c(F)c1 ZINC000335669791 212388255 /nfs/dbraw/zinc/38/82/55/212388255.db2.gz FBSLXBRLAPBNIW-UHFFFAOYSA-N -1 3 294.257 3.025 20 0 CGADHM CC(C)c1ccc(C(=O)N2CCC[C@@H]2c2ncc[nH]2)c([O-])c1 ZINC000335666150 212385740 /nfs/dbraw/zinc/38/57/40/212385740.db2.gz SKKUNXCIJHLHLO-CQSZACIVSA-N -1 3 299.374 3.216 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N2CC3(CCC3)[C@H]2c2ccco2)n1 ZINC000451853501 240370835 /nfs/dbraw/zinc/37/08/35/240370835.db2.gz LOYNQEVCYZAVEF-SWLSCSKDSA-N -1 3 299.374 3.372 20 0 CGADHM CC(C)c1cc(C(=O)[N-]c2cccc(F)c2F)no1 ZINC000120742833 370796161 /nfs/dbraw/zinc/79/61/61/370796161.db2.gz JGQLYHCMJWCAAD-UHFFFAOYSA-N -1 3 266.247 3.329 20 0 CGADHM COc1cccc(C(=O)N2C[C@@H](C(C)C)[C@H]2C(C)C)c1[O-] ZINC000456286004 241391890 /nfs/dbraw/zinc/39/18/90/241391890.db2.gz JVVMBFYXRQADGE-DZGCQCFKSA-N -1 3 291.391 3.153 20 0 CGADHM C[C@@H]1[C@@H](C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)C1(F)F ZINC000461451210 242306493 /nfs/dbraw/zinc/30/64/93/242306493.db2.gz COIURTPHQAYGJO-ANLVUFKYSA-N -1 3 295.207 3.251 20 0 CGADHM CCC[C@H]1[C@@H](C)CCCN1C(=O)c1ccc(OC)cc1[O-] ZINC000175290223 283991771 /nfs/dbraw/zinc/99/17/71/283991771.db2.gz CBXHMMMZDSBDLM-WFASDCNBSA-N -1 3 291.391 3.442 20 0 CGADHM O=C(Nc1cccc([O-])c1F)c1cc[nH]c1C1CCC1 ZINC000335530255 212222944 /nfs/dbraw/zinc/22/29/44/212222944.db2.gz XOYFNNSRLBQJFE-UHFFFAOYSA-N -1 3 274.295 3.379 20 0 CGADHM O=C(c1cc([O-])c2ccccc2c1)N1CC(CC(F)F)C1 ZINC000335503571 212184509 /nfs/dbraw/zinc/18/45/09/212184509.db2.gz PYSRIMXCSLQEGL-UHFFFAOYSA-N -1 3 291.297 3.273 20 0 CGADHM O=C(c1ccccc1[O-])N1CCC[C@H](CC(F)(F)F)C1 ZINC000335485271 212160831 /nfs/dbraw/zinc/16/08/31/212160831.db2.gz CFJHGUPHDWEWOF-SNVBAGLBSA-N -1 3 287.281 3.197 20 0 CGADHM FC(F)(F)c1csc(=NC[C@H]2CCC(F)(F)C2)[n-]1 ZINC000485404887 243333015 /nfs/dbraw/zinc/33/30/15/243333015.db2.gz JSLJCYKFHXHJSU-LURJTMIESA-N -1 3 286.269 3.431 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2ccc(OCC3CC3)cc2)n1 ZINC000486128225 243354057 /nfs/dbraw/zinc/35/40/57/243354057.db2.gz SUUUSAOFLOXSDG-RMKNXTFCSA-N -1 3 282.343 3.450 20 0 CGADHM Cc1cc(=O)[n-]c(C=CC=Cc2ccc(F)c(F)c2)n1 ZINC000486124250 243354109 /nfs/dbraw/zinc/35/41/09/243354109.db2.gz IVWQUIVANWKVMT-VOERYJCWSA-N -1 3 274.270 3.083 20 0 CGADHM CC(=O)c1cccc(NC(=O)c2cccc(C)c2[O-])c1 ZINC000019807246 368768847 /nfs/dbraw/zinc/76/88/47/368768847.db2.gz PEXWAUCHIVEVNX-UHFFFAOYSA-N -1 3 269.300 3.156 20 0 CGADHM Cc1ccc([O-])c(C(=O)N(C)Cc2ccccc2C)c1 ZINC000023598969 368822798 /nfs/dbraw/zinc/82/27/98/368822798.db2.gz XOCDKZDBGGYXDC-UHFFFAOYSA-N -1 3 269.344 3.281 20 0 CGADHM C[C@@H](c1ccccc1Cl)N1CCC[C@@H](C(=O)[O-])C1 ZINC000033415968 368963819 /nfs/dbraw/zinc/96/38/19/368963819.db2.gz ATRCVRPLNXNHJD-WDEREUQCSA-N -1 3 267.756 3.198 20 0 CGADHM Cc1ccc([O-])c(NC(=O)/C=C/SCc2ccco2)n1 ZINC000493064635 244089430 /nfs/dbraw/zinc/08/94/30/244089430.db2.gz SNKWNNZEFJEAJY-SOFGYWHQSA-N -1 3 290.344 3.074 20 0 CGADHM CN(Cc1ccc(Cl)s1)C(=O)c1ccccc1[O-] ZINC000042206218 369203821 /nfs/dbraw/zinc/20/38/21/369203821.db2.gz ROMKXCLLLLBIBT-UHFFFAOYSA-N -1 3 281.764 3.379 20 0 CGADHM CN(CCCCC(=O)[O-])Cc1ccc(Cl)s1 ZINC000042489043 369223078 /nfs/dbraw/zinc/22/30/78/369223078.db2.gz ZALAEKGDFMBAMB-UHFFFAOYSA-N -1 3 261.774 3.088 20 0 CGADHM O=C(Nc1ccc(Cl)c(F)c1)c1cccc([O-])c1 ZINC000042582595 369225410 /nfs/dbraw/zinc/22/54/10/369225410.db2.gz PDIOWLLBRFTWHP-UHFFFAOYSA-N -1 3 265.671 3.437 20 0 CGADHM Cc1cc([C@H](C)NC(=O)c2cccc([O-])c2)c(C)o1 ZINC000044731477 369269700 /nfs/dbraw/zinc/26/97/00/369269700.db2.gz ZTQCNLKNLMRACX-JTQLQIEISA-N -1 3 259.305 3.093 20 0 CGADHM O=C([O-])CC[C@@H]1CCCCN1Cc1cc(F)ccc1F ZINC000050925801 369444893 /nfs/dbraw/zinc/44/48/93/369444893.db2.gz GHTNNJLDARMJFT-ZDUSSCGKSA-N -1 3 283.318 3.184 20 0 CGADHM O=C([O-])C[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000054300064 369499940 /nfs/dbraw/zinc/49/99/40/369499940.db2.gz GARKKJQPQQTSSB-GFCCVEGCSA-N -1 3 267.756 3.027 20 0 CGADHM CS(=O)(=O)[N-]c1ccccc1SC1CCCC1 ZINC000070252554 369793012 /nfs/dbraw/zinc/79/30/12/369793012.db2.gz IRJRERHFTPXEHQ-UHFFFAOYSA-N -1 3 271.407 3.093 20 0 CGADHM Cc1ccc(NC(=O)CO[C@H]2CCCC[C@H]2C)c([O-])c1 ZINC000113413913 370473280 /nfs/dbraw/zinc/47/32/80/370473280.db2.gz MZCARBQJSCGQQQ-DOMZBBRYSA-N -1 3 277.364 3.234 20 0 CGADHM CC(C)c1noc2ncc(C(=O)Nc3ccccc3[O-])cc21 ZINC000011679571 541850294 /nfs/dbraw/zinc/85/02/94/541850294.db2.gz QHJHNISUASLXEG-UHFFFAOYSA-N -1 3 297.314 3.304 20 0 CGADHM CCCc1ncc(C(=O)[N-]c2c(C)onc2CC)s1 ZINC000132661029 371192842 /nfs/dbraw/zinc/19/28/42/371192842.db2.gz HWWKNJRFGARZBG-UHFFFAOYSA-N -1 3 279.365 3.207 20 0 CGADHM CC[C@@H](CC(=O)NCc1ccc([O-])c(F)c1)C(C)C ZINC000133181574 371233045 /nfs/dbraw/zinc/23/30/45/371233045.db2.gz GKXZUZQNCZIWJV-LBPRGKRZSA-N -1 3 267.344 3.220 20 0 CGADHM COCCC1(CNC(=O)c2ccc(C)cc2[O-])CCCC1 ZINC000133311823 371242802 /nfs/dbraw/zinc/24/28/02/371242802.db2.gz UOUVTPRYHDCNJB-UHFFFAOYSA-N -1 3 291.391 3.027 20 0 CGADHM C[C@@H](CS(=O)(=O)[N-]c1cccc(F)c1)c1ccccc1 ZINC000133384981 371248023 /nfs/dbraw/zinc/24/80/23/371248023.db2.gz PWWBBEDUUOXSDH-LBPRGKRZSA-N -1 3 293.363 3.371 20 0 CGADHM O=C(Cc1cnc2ccccc2c1)Nc1ccc([O-])cc1F ZINC000133827902 371281359 /nfs/dbraw/zinc/28/13/59/371281359.db2.gz PXYFUSWDUUOHKN-UHFFFAOYSA-N -1 3 296.301 3.261 20 0 CGADHM COc1cccc(C(=O)N2C[C@@H](C)CCC[C@H]2C)c1[O-] ZINC000134054611 371299933 /nfs/dbraw/zinc/29/99/33/371299933.db2.gz AOXLJBBQMDKZKS-NWDGAFQWSA-N -1 3 277.364 3.052 20 0 CGADHM O=C(Cc1ccc(F)cc1Cl)Nc1ccccc1[O-] ZINC000134225741 371312951 /nfs/dbraw/zinc/31/29/51/371312951.db2.gz VYAVWLQJSXBEDA-UHFFFAOYSA-N -1 3 279.698 3.366 20 0 CGADHM COc1ccc(NC(=O)Cc2ccc([O-])cc2Cl)cc1 ZINC000136053772 371458820 /nfs/dbraw/zinc/45/88/20/371458820.db2.gz VZUNNDCYSZGLEB-UHFFFAOYSA-N -1 3 291.734 3.235 20 0 CGADHM O=C(Cc1ccc([O-])cc1Cl)NCc1cccc(F)c1 ZINC000136139959 371463306 /nfs/dbraw/zinc/46/33/06/371463306.db2.gz VIPLNMHESYZXIO-UHFFFAOYSA-N -1 3 293.725 3.044 20 0 CGADHM CC(C)c1cc(NC(=O)Cc2ccc([O-])cc2Cl)n[nH]1 ZINC000136214713 371468218 /nfs/dbraw/zinc/46/82/18/371468218.db2.gz RSTKJKBMGYZXBD-UHFFFAOYSA-N -1 3 293.754 3.073 20 0 CGADHM CC1(C)CCC[C@H]([N-]S(=O)(=O)c2ccccc2F)C1 ZINC000149599906 371529427 /nfs/dbraw/zinc/52/94/27/371529427.db2.gz JDXLJABDJQRISW-NSHDSACASA-N -1 3 285.384 3.073 20 0 CGADHM CC(C)c1ccc(C(=O)N2CCC[C@@H]2c2cc[nH]n2)c([O-])c1 ZINC000286924339 371574445 /nfs/dbraw/zinc/57/44/45/371574445.db2.gz CYUNEQWKBFNCJN-OAHLLOKOSA-N -1 3 299.374 3.216 20 0 CGADHM CC(C)CCC1CCN(C(=O)c2ccc(O)cc2[O-])CC1 ZINC000151209788 371581591 /nfs/dbraw/zinc/58/15/91/371581591.db2.gz CYPSNHHKVMWKRL-UHFFFAOYSA-N -1 3 291.391 3.386 20 0 CGADHM CCCCc1ccc(CC(=O)Nc2ncccc2[O-])cc1 ZINC000021901820 541856323 /nfs/dbraw/zinc/85/63/23/541856323.db2.gz VIYVGIKMNADDAY-UHFFFAOYSA-N -1 3 284.359 3.311 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CC[C@H](C)[C@@H](C)C2)c1 ZINC000153778250 371786350 /nfs/dbraw/zinc/78/63/50/371786350.db2.gz IMBMFHQVTSRRQL-RYUDHWBXSA-N -1 3 261.365 3.073 20 0 CGADHM CC1(C)Cc2cc(NC([O-])=NOC/C=C/Cl)ccc2O1 ZINC000289903911 371850144 /nfs/dbraw/zinc/85/01/44/371850144.db2.gz JGLNTWKICCMKQI-ZZXKWVIFSA-N -1 3 296.754 3.206 20 0 CGADHM CC1(C)Cc2cc(NC(=O)[N-]OC/C=C/Cl)ccc2O1 ZINC000289903911 371850147 /nfs/dbraw/zinc/85/01/47/371850147.db2.gz JGLNTWKICCMKQI-ZZXKWVIFSA-N -1 3 296.754 3.206 20 0 CGADHM COc1ccc(CN[C@@H](CC(=O)[O-])c2cccs2)cc1 ZINC000037087851 541861649 /nfs/dbraw/zinc/86/16/49/541861649.db2.gz IBLYHNQGNZRQRC-ZDUSSCGKSA-N -1 3 291.372 3.062 20 0 CGADHM [O-]c1cc(F)cc(CN(Cc2cccnc2)C2CC2)c1 ZINC000290537955 372012945 /nfs/dbraw/zinc/01/29/45/372012945.db2.gz RASQTHXZTFZZHT-UHFFFAOYSA-N -1 3 272.323 3.091 20 0 CGADHM CCC1(C)CN(C(=O)c2c[n-]c3ccc(C)cc3c2=O)C1 ZINC000291060503 372106534 /nfs/dbraw/zinc/10/65/34/372106534.db2.gz KXXCPLDBTMHJIX-UHFFFAOYSA-N -1 3 284.359 3.121 20 0 CGADHM CO[C@](C)(C(=O)Nc1cc(Cl)cc(C)c1[O-])C1CC1 ZINC000290918255 372075091 /nfs/dbraw/zinc/07/50/91/372075091.db2.gz AZNDQPQKZQZVRD-AWEZNQCLSA-N -1 3 283.755 3.108 20 0 CGADHM Cc1noc(C)c1[N-]C(=O)c1ncsc1C(C)C ZINC000291220237 372142106 /nfs/dbraw/zinc/14/21/06/372142106.db2.gz CYKQNOGLQIBFQE-UHFFFAOYSA-N -1 3 265.338 3.124 20 0 CGADHM Cc1cc(NC(=O)[N-]OCC2CC2)ccc1Br ZINC000292877028 372234689 /nfs/dbraw/zinc/23/46/89/372234689.db2.gz UDJSSKOZORZMQZ-UHFFFAOYSA-N -1 3 299.168 3.221 20 0 CGADHM CC1(C)CCC[C@@]1(O)CNCc1cccc([O-])c1Cl ZINC000292991120 372270757 /nfs/dbraw/zinc/27/07/57/372270757.db2.gz OAKLMOUKGHXJCJ-OAHLLOKOSA-N -1 3 283.799 3.076 20 0 CGADHM Cc1cccc([C@@H](O)CNCc2cccc([O-])c2Cl)c1 ZINC000293141553 372310762 /nfs/dbraw/zinc/31/07/62/372310762.db2.gz CZFIJDVWNBMIOJ-HNNXBMFYSA-N -1 3 291.778 3.177 20 0 CGADHM Cc1ccc(NC(=O)[N-]OCC2CC2)cc1OC(F)F ZINC000293286203 372346085 /nfs/dbraw/zinc/34/60/85/372346085.db2.gz JZALIELOCQTMKO-UHFFFAOYSA-N -1 3 286.278 3.060 20 0 CGADHM C[C@H](COCC(F)(F)F)NCc1cccc([O-])c1Cl ZINC000293431746 372381511 /nfs/dbraw/zinc/38/15/11/372381511.db2.gz BGFRPQJLYLRDIF-MRVPVSSYSA-N -1 3 297.704 3.103 20 0 CGADHM CO[C@H]1CCCC[C@H]1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000293552950 372410101 /nfs/dbraw/zinc/41/01/01/372410101.db2.gz UMHDFZCUOCVJCH-MFKMUULPSA-N -1 3 283.755 3.189 20 0 CGADHM [O-]c1cccc(CNC2CCSCC2)c1Cl ZINC000293678026 372447573 /nfs/dbraw/zinc/44/75/73/372447573.db2.gz VGKYJYCTCIQVSK-UHFFFAOYSA-N -1 3 257.786 3.031 20 0 CGADHM Cc1nc(C(C)C)ccc1C(=O)Nc1ccccc1[O-] ZINC000293710150 372457085 /nfs/dbraw/zinc/45/70/85/372457085.db2.gz DOYFZOKPXJHBON-UHFFFAOYSA-N -1 3 270.332 3.471 20 0 CGADHM COc1cc(C)ccc1CNCc1c(F)ccc([O-])c1F ZINC000293748701 372468657 /nfs/dbraw/zinc/46/86/57/372468657.db2.gz XYAVKZUDIVSCFJ-UHFFFAOYSA-N -1 3 293.313 3.277 20 0 CGADHM Cc1ccc(-c2nnc(NC(=O)[C@H](C)c3ccccc3)[n-]2)o1 ZINC000164966238 372538989 /nfs/dbraw/zinc/53/89/89/372538989.db2.gz AVNBIDJSXNQOID-LLVKDONJSA-N -1 3 296.330 3.115 20 0 CGADHM Cc1ccc(-c2n[n-]c(NC(=O)[C@H](C)c3ccccc3)n2)o1 ZINC000164966238 372538993 /nfs/dbraw/zinc/53/89/93/372538993.db2.gz AVNBIDJSXNQOID-LLVKDONJSA-N -1 3 296.330 3.115 20 0 CGADHM Cc1ccc(-c2nc(NC(=O)[C@H](C)c3ccccc3)n[n-]2)o1 ZINC000164966238 372538996 /nfs/dbraw/zinc/53/89/96/372538996.db2.gz AVNBIDJSXNQOID-LLVKDONJSA-N -1 3 296.330 3.115 20 0 CGADHM CCC(CC)(CC)NC(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000163630081 372484253 /nfs/dbraw/zinc/48/42/53/372484253.db2.gz YKSQWXCYGCQDAK-UHFFFAOYSA-N -1 3 295.379 3.108 20 0 CGADHM CC(C)[C@@H]1CN(C(=O)c2cc([O-])ccc2Cl)CCS1 ZINC000431860156 372509623 /nfs/dbraw/zinc/50/96/23/372509623.db2.gz UNLVIYRANVEMEH-ZDUSSCGKSA-N -1 3 299.823 3.259 20 0 CGADHM Cc1cccc([O-])c1NC(=O)CO[C@H]1CCC[C@@H](C)C1 ZINC000538950840 288595789 /nfs/dbraw/zinc/59/57/89/288595789.db2.gz AAJAZMBXOWDSAO-YPMHNXCESA-N -1 3 277.364 3.234 20 0 CGADHM CC(C)ON=C([O-])Nc1cc(Cl)ccc1Cl ZINC000294286986 372639516 /nfs/dbraw/zinc/63/95/16/372639516.db2.gz YVIMQSSYSFHXAV-UHFFFAOYSA-N -1 3 263.124 3.455 20 0 CGADHM CC(C)O[N-]C(=O)Nc1cc(Cl)ccc1Cl ZINC000294286986 372639524 /nfs/dbraw/zinc/63/95/24/372639524.db2.gz YVIMQSSYSFHXAV-UHFFFAOYSA-N -1 3 263.124 3.455 20 0 CGADHM [O-]c1ccc(F)c(CNC[C@@H]2CC=CCC2)c1F ZINC000294302783 372644305 /nfs/dbraw/zinc/64/43/05/372644305.db2.gz PZWKINGLYRGZEX-SNVBAGLBSA-N -1 3 253.292 3.116 20 0 CGADHM CCC[C@@H]1CCC[C@@H]1C(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000294331871 372651971 /nfs/dbraw/zinc/65/19/71/372651971.db2.gz ACWMJIXPNVIPGH-NEPJUHHUSA-N -1 3 299.378 3.022 20 0 CGADHM CCC[C@@H]1CCC[C@@H]1C(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000294331871 372651975 /nfs/dbraw/zinc/65/19/75/372651975.db2.gz ACWMJIXPNVIPGH-NEPJUHHUSA-N -1 3 299.378 3.022 20 0 CGADHM CCC[C@@H]1CCC[C@@H]1C(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000294331871 372651981 /nfs/dbraw/zinc/65/19/81/372651981.db2.gz ACWMJIXPNVIPGH-NEPJUHHUSA-N -1 3 299.378 3.022 20 0 CGADHM O=C(CCc1cccs1)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000353375049 220050533 /nfs/dbraw/zinc/05/05/33/220050533.db2.gz NHGYMEFJMCTDFO-UHFFFAOYSA-N -1 3 297.383 3.131 20 0 CGADHM COc1ccc(Cl)cc1CN1CCC[C@@H](CC(=O)[O-])C1 ZINC000054299674 541880657 /nfs/dbraw/zinc/88/06/57/541880657.db2.gz GNVURAZCLNIPDK-NSHDSACASA-N -1 3 297.782 3.035 20 0 CGADHM [O-]c1ccc(-c2noc([C@H]3CCCSC3)n2)cc1 ZINC000333083574 205015804 /nfs/dbraw/zinc/01/58/04/205015804.db2.gz RATAUBCSXJHILK-JTQLQIEISA-N -1 3 262.334 3.053 20 0 CGADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CCC12CCC2 ZINC000436571040 296189629 /nfs/dbraw/zinc/18/96/29/296189629.db2.gz BQTZREGDRSOJLV-UHFFFAOYSA-N -1 3 271.360 3.040 20 0 CGADHM CS[C@@H]1CCN(C(=O)c2ccc(C(C)C)cc2[O-])C1 ZINC000295529979 372815677 /nfs/dbraw/zinc/81/56/77/372815677.db2.gz JOTNWGCFAHXCJZ-GFCCVEGCSA-N -1 3 279.405 3.093 20 0 CGADHM c1ccc(-c2nc(S[C@@H]3C=CCCC3)n[n-]2)nc1 ZINC000172162691 372917423 /nfs/dbraw/zinc/91/74/23/372917423.db2.gz BRGDAWWBRFEHNM-SNVBAGLBSA-N -1 3 258.350 3.068 20 0 CGADHM COc1ccc(C(=O)N2CCCCC(C)(C)C2)c([O-])c1 ZINC000438406456 372950968 /nfs/dbraw/zinc/95/09/68/372950968.db2.gz ZUOXVRWXXFOTSB-UHFFFAOYSA-N -1 3 277.364 3.053 20 0 CGADHM [O-]c1ccc(F)c(CNCCC2(F)CCC2)c1F ZINC000353529909 220140142 /nfs/dbraw/zinc/14/01/42/220140142.db2.gz RQCITUDASCAMTG-UHFFFAOYSA-N -1 3 259.271 3.042 20 0 CGADHM CCC[C@H](OC)c1noc(/C=C/c2cccc([O-])c2)n1 ZINC000296507978 373156754 /nfs/dbraw/zinc/15/67/54/373156754.db2.gz QJNMQVFHOJBWMM-XEHSLEBBSA-N -1 3 274.320 3.433 20 0 CGADHM COc1cc(C(=O)NCC[C@H]2CCCC[C@@H]2C)ccc1[O-] ZINC000442971518 373136331 /nfs/dbraw/zinc/13/63/31/373136331.db2.gz ZIHPERCEZSBFFS-QWHCGFSZSA-N -1 3 291.391 3.347 20 0 CGADHM CCO[N-]C(=O)Nc1cc(Cl)ccc1OC(F)(F)F ZINC000296774189 373242359 /nfs/dbraw/zinc/24/23/59/373242359.db2.gz DWQFZZHIUCSDPA-UHFFFAOYSA-N -1 3 298.648 3.312 20 0 CGADHM Cc1ccc(/C=C\CC(=O)Nc2nc(C)ccc2[O-])cc1 ZINC000447633596 373467558 /nfs/dbraw/zinc/46/75/58/373467558.db2.gz CIRFDNQYOZGIEP-ARJAWSKDSA-N -1 3 282.343 3.446 20 0 CGADHM CCOCCC1(C(=O)Nc2nc(C)ccc2[O-])CCCC1 ZINC000447636176 373467630 /nfs/dbraw/zinc/46/76/30/373467630.db2.gz HGEPRWIDKIBGON-UHFFFAOYSA-N -1 3 292.379 3.021 20 0 CGADHM O=C(N[C@@H]1C[C@H]1C1CCCCC1)c1cccc([O-])c1 ZINC000447762906 373485353 /nfs/dbraw/zinc/48/53/53/373485353.db2.gz BHMATFQQONNSMC-LSDHHAIUSA-N -1 3 259.349 3.091 20 0 CGADHM C[C@H]1CCCN(Cc2cc(F)ccc2Cl)[C@H]1C(=O)[O-] ZINC000300271031 373621601 /nfs/dbraw/zinc/62/16/01/373621601.db2.gz HYXORIFMIFFZGW-TVQRCGJNSA-N -1 3 285.746 3.164 20 0 CGADHM C[C@H]1CCCN(C(=O)Cc2ccc([O-])cc2Cl)[C@H]1C ZINC000178433822 373777669 /nfs/dbraw/zinc/77/76/69/373777669.db2.gz BBVAPEBCXSEXRK-QWRGUYRKSA-N -1 3 281.783 3.235 20 0 CGADHM CCO[C@@H]1CCN(Cc2cccc([O-])c2Cl)C[C@@H]1C ZINC000449492552 373785407 /nfs/dbraw/zinc/78/54/07/373785407.db2.gz CEYAVHYZMOZRSM-SMDDNHRTSA-N -1 3 283.799 3.293 20 0 CGADHM Cc1cccc([O-])c1NC(=O)[C@H](C)Oc1cccc(F)c1 ZINC000179556449 373889258 /nfs/dbraw/zinc/88/92/58/373889258.db2.gz VZBLOQYKFAHQBQ-NSHDSACASA-N -1 3 289.306 3.246 20 0 CGADHM C[C@@H]1CCCC[C@@H]1CCNC(=O)Cc1ccc([O-])c(F)c1 ZINC000449863843 373950311 /nfs/dbraw/zinc/95/03/11/373950311.db2.gz JRBNFQAPLJFNGW-TZMCWYRMSA-N -1 3 293.382 3.406 20 0 CGADHM C[C@H]1CCC[C@H](CCNC(=O)Cc2ccc([O-])c(F)c2)C1 ZINC000449869046 373951573 /nfs/dbraw/zinc/95/15/73/373951573.db2.gz GCLFCFQLKFJPLO-QWHCGFSZSA-N -1 3 293.382 3.406 20 0 CGADHM Cc1cccc(C(=O)N[C@H](C)Cc2ccccc2F)c1[O-] ZINC000302959530 374008036 /nfs/dbraw/zinc/00/80/36/374008036.db2.gz GGRGXXIPDDALOU-GFCCVEGCSA-N -1 3 287.334 3.201 20 0 CGADHM Cc1cccc(SCC(=O)Nc2ccccc2[O-])c1 ZINC000180700766 374038533 /nfs/dbraw/zinc/03/85/33/374038533.db2.gz BCJPRNJKEJHQCU-UHFFFAOYSA-N -1 3 273.357 3.431 20 0 CGADHM CCc1cc(NCc2cc([O-])cc(C(F)(F)F)c2)n(C)n1 ZINC000289524282 197388336 /nfs/dbraw/zinc/38/83/36/197388336.db2.gz OANAUHIYMSGNPX-UHFFFAOYSA-N -1 3 299.296 3.319 20 0 CGADHM CS[C@H]1CCC[C@@H](N=c2[n-]c(C(C)=O)c(C)s2)C1 ZINC000450342726 374069734 /nfs/dbraw/zinc/06/97/34/374069734.db2.gz UBPMUKUXSYVGSO-MNOVXSKESA-N -1 3 284.450 3.162 20 0 CGADHM Cc1noc([N-]Cc2cc3cc(C)c(C)cc3o2)n1 ZINC000181522059 374134869 /nfs/dbraw/zinc/13/48/69/374134869.db2.gz LQHIFKVSNRCCKM-UHFFFAOYSA-N -1 3 257.293 3.353 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CC[C@@H](CC(C)C)C2)c1 ZINC000307777211 374152971 /nfs/dbraw/zinc/15/29/71/374152971.db2.gz PXGMUOVBLHLLMC-ZDUSSCGKSA-N -1 3 261.365 3.209 20 0 CGADHM CC(C)(C)C(C)(C)CNC(=O)Cc1ccc([O-])c(F)c1 ZINC000452166003 374262423 /nfs/dbraw/zinc/26/24/23/374262423.db2.gz YLTPXXJIXQIZRT-UHFFFAOYSA-N -1 3 281.371 3.262 20 0 CGADHM CC(C)COc1cccc(CNC(=O)c2cccc([O-])c2)c1 ZINC000182223812 374238198 /nfs/dbraw/zinc/23/81/98/374238198.db2.gz QUQDSTMMYLEMCS-UHFFFAOYSA-N -1 3 299.370 3.357 20 0 CGADHM C[C@@H](c1cc(F)ccc1F)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000312629343 374287268 /nfs/dbraw/zinc/28/72/68/374287268.db2.gz YOXSMKSRAOECQP-SCVCMEIPSA-N -1 3 283.318 3.068 20 0 CGADHM COc1ccc([O-])c(C(=O)Nc2cccc(C)c2F)c1 ZINC000182514507 374285809 /nfs/dbraw/zinc/28/58/09/374285809.db2.gz BKBXJEICNQZIGY-UHFFFAOYSA-N -1 3 275.279 3.101 20 0 CGADHM O=C(CCc1cccs1)N1CCCc2cccc([O-])c21 ZINC000182932875 374344813 /nfs/dbraw/zinc/34/48/13/374344813.db2.gz JXRLITJCOVNKDB-UHFFFAOYSA-N -1 3 287.384 3.366 20 0 CGADHM Cc1cc(C(=O)NCc2cccc3cccnc32)ccc1[O-] ZINC000318006739 374342099 /nfs/dbraw/zinc/34/20/99/374342099.db2.gz VVTQVPSXGZPLIQ-UHFFFAOYSA-N -1 3 292.338 3.179 20 0 CGADHM C[C@H]1C[C@H]1c1ccc(CN2CCC(CCC(=O)[O-])CC2)o1 ZINC000086755831 541940103 /nfs/dbraw/zinc/94/01/03/541940103.db2.gz QLWJSUBNPXEVKZ-SWLSCSKDSA-N -1 3 291.391 3.480 20 0 CGADHM Cc1ccc(CN2Cc3ccccc3[C@@H](C(=O)[O-])C2)cc1 ZINC000087612300 541944731 /nfs/dbraw/zinc/94/47/31/541944731.db2.gz PCNREQIWDOOQTQ-KRWDZBQOSA-N -1 3 281.355 3.179 20 0 CGADHM C[C@H](C(=O)Nc1cc(F)ccc1[O-])c1ccccc1 ZINC000183780812 374455462 /nfs/dbraw/zinc/45/54/62/374455462.db2.gz YDRZTYNWFKFCFO-JTQLQIEISA-N -1 3 259.280 3.274 20 0 CGADHM O=[S@](Cc1ccccc1OC(F)F)c1cccc([O-])c1 ZINC000184046800 374486211 /nfs/dbraw/zinc/48/62/11/374486211.db2.gz XRKLSOBCOZEPAU-HXUWFJFHSA-N -1 3 298.310 3.301 20 0 CGADHM C[C@@H](c1ccccc1F)[S@@](=O)c1cccc([O-])c1 ZINC000184050635 374486296 /nfs/dbraw/zinc/48/62/96/374486296.db2.gz ZBNAMJJMXRQGNK-XTZNXHDOSA-N -1 3 264.321 3.400 20 0 CGADHM CCc1ccc(C(=O)Nc2cc(F)ccc2[O-])c(C)n1 ZINC000184083452 374489243 /nfs/dbraw/zinc/48/92/43/374489243.db2.gz UCIZOBGPLRCFPP-UHFFFAOYSA-N -1 3 274.295 3.049 20 0 CGADHM CC[C@@]1(C)CCCN(C(=O)c2ccc(C(C)=O)c([O-])c2)C1 ZINC000331231711 374516499 /nfs/dbraw/zinc/51/64/99/374516499.db2.gz IOJJYGQEWLYODK-KRWDZBQOSA-N -1 3 289.375 3.247 20 0 CGADHM COc1ccc(NC(=O)[C@H]2CCC[C@@H](C)C2)c([O-])c1 ZINC000331274226 374519001 /nfs/dbraw/zinc/51/90/01/374519001.db2.gz DDEFDIQEGNIEIX-MNOVXSKESA-N -1 3 263.337 3.166 20 0 CGADHM CO[C@@H]1CCC[C@H](CC(=O)Nc2ccc([O-])cc2F)C1 ZINC000331062315 374500788 /nfs/dbraw/zinc/50/07/88/374500788.db2.gz NWWBYWGYKRZRHP-CMPLNLGQSA-N -1 3 281.327 3.065 20 0 CGADHM CC(=O)c1ccc(C(=O)N2CCC[C@H]2CC(C)C)cc1[O-] ZINC000331360801 374527692 /nfs/dbraw/zinc/52/76/92/374527692.db2.gz YGOGFLVECIDBRJ-AWEZNQCLSA-N -1 3 289.375 3.246 20 0 CGADHM Cc1occc1CN(C)C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000332148898 374556938 /nfs/dbraw/zinc/55/69/38/374556938.db2.gz RPXQGKDKGRGHLH-UHFFFAOYSA-N -1 3 299.370 3.445 20 0 CGADHM CCc1ccc([O-])c(-c2nc(-c3ccncc3)no2)c1 ZINC000184863741 374566624 /nfs/dbraw/zinc/56/66/24/374566624.db2.gz ILYMURBWBMEKRC-UHFFFAOYSA-N -1 3 267.288 3.067 20 0 CGADHM O=C(NC1CCC(F)(F)CC1)c1cc([O-])ccc1Cl ZINC000334241852 206242834 /nfs/dbraw/zinc/24/28/34/206242834.db2.gz WWVQAPTUVYUMDT-UHFFFAOYSA-N -1 3 289.709 3.353 20 0 CGADHM CCc1nc([N-]C(=O)c2cnns2)sc1C(C)(C)C ZINC000458278872 374745969 /nfs/dbraw/zinc/74/59/69/374745969.db2.gz QXLWJKRRUOEYON-UHFFFAOYSA-N -1 3 296.421 3.107 20 0 CGADHM [O-]c1cc(F)cc(CN2CCO[C@H](c3cccs3)C2)c1 ZINC000186199316 374812505 /nfs/dbraw/zinc/81/25/05/374812505.db2.gz PWCRISBWONODGA-AWEZNQCLSA-N -1 3 293.363 3.166 20 0 CGADHM Cc1cccc(S(=O)(=O)[N-]c2c(C)cccc2F)c1 ZINC000185930966 374769587 /nfs/dbraw/zinc/76/95/87/374769587.db2.gz LQNIYPCAWTZUBS-UHFFFAOYSA-N -1 3 279.336 3.243 20 0 CGADHM C[C@@H](c1cccnc1)N(C)Cc1cc([O-])cc(F)c1 ZINC000186416191 374845997 /nfs/dbraw/zinc/84/59/97/374845997.db2.gz XIOLHUFSVPDCKE-NSHDSACASA-N -1 3 260.312 3.119 20 0 CGADHM C[C@@H]1CCC[C@@]1(C)C(=O)Nc1ccc([O-])cc1F ZINC000334679203 374969118 /nfs/dbraw/zinc/96/91/18/374969118.db2.gz LKAIXXVOOPIMQJ-YMTOWFKASA-N -1 3 251.301 3.296 20 0 CGADHM Cc1oc([C@H](C)N2CCC(C)CC2)cc1C(=O)[O-] ZINC000518547207 572329993 /nfs/dbraw/zinc/32/99/93/572329993.db2.gz YVINOLFNCYSLDV-JTQLQIEISA-N -1 3 251.326 3.079 20 0 CGADHM O=C([O-])[C@@H](NCc1ccccc1C1CC1)c1ccccc1 ZINC000094519634 541987442 /nfs/dbraw/zinc/98/74/42/541987442.db2.gz NDDAKEMRQLYYKR-KRWDZBQOSA-N -1 3 281.355 3.480 20 0 CGADHM CCc1ccc(C(=O)Nc2c(C)nn(CC)c2C)c([O-])c1 ZINC000187857280 375107188 /nfs/dbraw/zinc/10/71/88/375107188.db2.gz ZJUYZUKUDVLYRD-UHFFFAOYSA-N -1 3 287.363 3.040 20 0 CGADHM COC(=O)c1cnc(S[C@@H](C)c2ccc(F)cc2F)[n-]1 ZINC000187587970 375049675 /nfs/dbraw/zinc/04/96/75/375049675.db2.gz NLZLOFNKHAAAOK-ZETCQYMHSA-N -1 3 298.314 3.328 20 0 CGADHM O=C(Nc1ccc([O-])cc1F)C1(C2CCC2)CCC1 ZINC000335146018 375171751 /nfs/dbraw/zinc/17/17/51/375171751.db2.gz GSRGJXHNKYCSNO-UHFFFAOYSA-N -1 3 263.312 3.440 20 0 CGADHM CCc1cc(C(=O)N(C)C2(C)CCCC2)ccc1[O-] ZINC000487475938 375243356 /nfs/dbraw/zinc/24/33/56/375243356.db2.gz ASNPZDWWRFHLHC-UHFFFAOYSA-N -1 3 261.365 3.359 20 0 CGADHM O=C(Cc1ccc([O-])cc1Cl)N1CCCC12CCC2 ZINC000335234840 375251804 /nfs/dbraw/zinc/25/18/04/375251804.db2.gz MPZMKGNFGUCAFL-UHFFFAOYSA-N -1 3 279.767 3.133 20 0 CGADHM CCc1nc(C(=O)N2CC[C@@H](C)c3cccc([O-])c32)co1 ZINC000335281050 375258073 /nfs/dbraw/zinc/25/80/73/375258073.db2.gz VBADIMWAJQOXOV-SNVBAGLBSA-N -1 3 286.331 3.097 20 0 CGADHM CCCCc1ccc(NC(=O)[N-]OC[C@H]2CCOC2)cc1 ZINC000189439937 375388993 /nfs/dbraw/zinc/38/89/93/375388993.db2.gz FOWVRAMJEXIWPG-AWEZNQCLSA-N -1 3 292.379 3.119 20 0 CGADHM COc1ccc(NC(=O)/C=C\c2ccccc2OC)c([O-])c1 ZINC000492016870 375395310 /nfs/dbraw/zinc/39/53/10/375395310.db2.gz HUXHRLJXAZDJTM-YFHOEESVSA-N -1 3 299.326 3.061 20 0 CGADHM CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2cc(F)cc(F)c2)C1 ZINC000097904193 541995348 /nfs/dbraw/zinc/99/53/48/541995348.db2.gz FPQRCRUGXHAOFE-LBPRGKRZSA-N -1 3 297.345 3.288 20 0 CGADHM CCc1ccc(C(=O)Nc2c(C)noc2C2CC2)c([O-])c1 ZINC000189527834 375404557 /nfs/dbraw/zinc/40/45/57/375404557.db2.gz FFXOWAGBVARKNY-UHFFFAOYSA-N -1 3 286.331 3.381 20 0 CGADHM O=C(c1cccc([O-])c1)N1CC[C@@H](c2ccccc2F)C1 ZINC000335837835 375471358 /nfs/dbraw/zinc/47/13/58/375471358.db2.gz MXYRMWIPYLENKC-CYBMUJFWSA-N -1 3 285.318 3.161 20 0 CGADHM C[C@H](C(=O)Nc1ccc(Cl)cc1[O-])c1cccnc1 ZINC000335977882 375585708 /nfs/dbraw/zinc/58/57/08/375585708.db2.gz IKFVABQVCXPJPR-VIFPVBQESA-N -1 3 276.723 3.183 20 0 CGADHM Cc1cc(N(C)C)ccc1NC(=O)c1cccc([O-])c1 ZINC000335972097 375582999 /nfs/dbraw/zinc/58/29/99/375582999.db2.gz PMEGCVIHTQDCMX-UHFFFAOYSA-N -1 3 270.332 3.019 20 0 CGADHM CCCCSc1nc2nc(C)cc(C)c2c(=O)[n-]1 ZINC000497639635 375606088 /nfs/dbraw/zinc/60/60/88/375606088.db2.gz YURFJSSDZFNPTF-UHFFFAOYSA-N -1 3 263.366 3.239 20 0 CGADHM C[C@@H]1CC[C@@H](C)N1C(=O)c1cc([O-])ccc1Cl ZINC000336039088 375638612 /nfs/dbraw/zinc/63/86/12/375638612.db2.gz KQVVAQAEZAKFBY-RKDXNWHRSA-N -1 3 253.729 3.059 20 0 CGADHM CN(Cc1nc(=O)c2sccc2[n-]1)C1(C)CCCC1 ZINC000336090992 375679644 /nfs/dbraw/zinc/67/96/44/375679644.db2.gz GAFXJMNFTWMODF-UHFFFAOYSA-N -1 3 277.393 3.161 20 0 CGADHM CC(=O)c1cccc(NC(=O)c2cc(F)ccc2C)c1[O-] ZINC000336143636 375721553 /nfs/dbraw/zinc/72/15/53/375721553.db2.gz JAXYREOTRKRMAX-UHFFFAOYSA-N -1 3 287.290 3.295 20 0 CGADHM Cc1cc(C(=O)Nc2ccc([O-])cc2F)c(C)s1 ZINC000124568142 542033836 /nfs/dbraw/zinc/03/38/36/542033836.db2.gz DSKJNVIOQQHKTQ-UHFFFAOYSA-N -1 3 265.309 3.462 20 0 CGADHM Cc1ccccc1[C@H](C)N(C)C(=O)c1ccc(O)cc1[O-] ZINC000336157634 375734216 /nfs/dbraw/zinc/73/42/16/375734216.db2.gz SSPOEUNBLPZUPX-LBPRGKRZSA-N -1 3 285.343 3.239 20 0 CGADHM CCc1nnc([N-]C(=O)c2sccc2Cl)s1 ZINC000336149867 375728543 /nfs/dbraw/zinc/72/85/43/375728543.db2.gz ZWKPVRIXDGLPKO-UHFFFAOYSA-N -1 3 273.770 3.068 20 0 CGADHM CC(C)N(Cc1ccccc1)C(=O)c1ccc(O)cc1[O-] ZINC000192955332 375808805 /nfs/dbraw/zinc/80/88/05/375808805.db2.gz CPHBWDDHXTWUNM-UHFFFAOYSA-N -1 3 285.343 3.149 20 0 CGADHM C[C@H]1CC[C@H](C(=O)[O-])CN1CCc1c(F)cccc1Cl ZINC000520581852 375866394 /nfs/dbraw/zinc/86/63/94/375866394.db2.gz GNHYIVWSTDKHDL-QWRGUYRKSA-N -1 3 299.773 3.207 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])c1cnc2cnccc2c1 ZINC000336938355 376037613 /nfs/dbraw/zinc/03/76/13/376037613.db2.gz HPHWZDFLLJRTMM-UHFFFAOYSA-N -1 3 299.717 3.241 20 0 CGADHM C[C@@H]1CCN(C(=O)c2ccccc2[O-])[C@H]2CCCC[C@@H]12 ZINC000536692052 376123455 /nfs/dbraw/zinc/12/34/55/376123455.db2.gz KBUUURJYJZZRES-IPYPFGDCSA-N -1 3 273.376 3.433 20 0 CGADHM CCc1cccc(C(=O)Nc2cc3c(cc2C)OCO3)c1[O-] ZINC000540969401 376411097 /nfs/dbraw/zinc/41/10/97/376411097.db2.gz CLRGTCNBJCDXAV-UHFFFAOYSA-N -1 3 299.326 3.244 20 0 CGADHM CC[C@](C)(OC)c1noc(-c2cccc(C)c2[O-])n1 ZINC000227832494 376413647 /nfs/dbraw/zinc/41/36/47/376413647.db2.gz UBZFGOVYILMXQG-AWEZNQCLSA-N -1 3 262.309 3.022 20 0 CGADHM C[C@H](c1ccccc1F)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000226455992 376361361 /nfs/dbraw/zinc/36/13/61/376361361.db2.gz XVSKFVJNFNFWHB-OLZOCXBDSA-N -1 3 279.355 3.464 20 0 CGADHM COc1ccc([C@H](C)NC(=O)c2ccc([O-])c(C)c2)cc1 ZINC000227017088 376377847 /nfs/dbraw/zinc/37/78/47/376377847.db2.gz MVIHOGKVEORMRU-LBPRGKRZSA-N -1 3 285.343 3.200 20 0 CGADHM CC1(C)CCCC[C@H]1NCc1cc(C(=O)[O-])co1 ZINC000228175982 376430168 /nfs/dbraw/zinc/43/01/68/376430168.db2.gz LLTXQYOJYICWLV-GFCCVEGCSA-N -1 3 251.326 3.036 20 0 CGADHM O=C(N=c1cc(-c2ccccc2)[n-][nH]1)C12CCC(CC1)C2 ZINC000541514969 376452715 /nfs/dbraw/zinc/45/27/15/376452715.db2.gz LQNUMPZWCUYAFX-UHFFFAOYSA-N -1 3 281.359 3.017 20 0 CGADHM COc1cccc(C(=O)N2CCC(C)(C3CC3)CC2)c1[O-] ZINC000334286193 206311732 /nfs/dbraw/zinc/31/17/32/206311732.db2.gz GWUWYAKLVNOYQB-UHFFFAOYSA-N -1 3 289.375 3.053 20 0 CGADHM Cc1cc(C(=O)N2CC[C@@H](C(C)(C)C)C2)ccc1[O-] ZINC000230181836 376493740 /nfs/dbraw/zinc/49/37/40/376493740.db2.gz MSCLPPGQBYIHSD-CYBMUJFWSA-N -1 3 261.365 3.209 20 0 CGADHM C[C@H]1CCC[C@@H]1CNC(=O)c1cc([O-])ccc1Cl ZINC000230688309 376533270 /nfs/dbraw/zinc/53/32/70/376533270.db2.gz DXODARBHEMQBCL-VHSXEESVSA-N -1 3 267.756 3.212 20 0 CGADHM Cc1ncoc1C(=O)[N-]c1c(F)cc(Cl)c(C)c1F ZINC000334330658 206379903 /nfs/dbraw/zinc/37/99/03/206379903.db2.gz OYQFWUSEBFOFPR-UHFFFAOYSA-N -1 3 286.665 3.475 20 0 CGADHM CN(C(=O)c1cc([O-])ccc1C(F)(F)F)[C@H]1CC1(C)C ZINC000338918719 376575079 /nfs/dbraw/zinc/57/50/79/376575079.db2.gz JSAXGZLAZLOPBK-NSHDSACASA-N -1 3 287.281 3.282 20 0 CGADHM CCS[C@@H]1CCC[C@@H]1NC(=O)c1cc([O-])ccc1Cl ZINC000233979260 376608028 /nfs/dbraw/zinc/60/80/28/376608028.db2.gz LHJGWKDPWSDMNF-QWHCGFSZSA-N -1 3 299.823 3.450 20 0 CGADHM CC[C@@H]1C[C@@H](C(=O)Nc2ccc(Cl)cc2[O-])CCO1 ZINC000334338228 206391959 /nfs/dbraw/zinc/39/19/59/206391959.db2.gz XUVUQBVKUZMLIA-GXSJLCMTSA-N -1 3 283.755 3.189 20 0 CGADHM COc1ccc(Cl)cc1CN1CCC[C@@H](C)[C@@H]1C(=O)[O-] ZINC000234845594 376622896 /nfs/dbraw/zinc/62/28/96/376622896.db2.gz JAEIVTUUMGLVPV-QMTHXVAHSA-N -1 3 297.782 3.034 20 0 CGADHM COc1cccc(F)c1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000339007040 376626990 /nfs/dbraw/zinc/62/69/90/376626990.db2.gz JIYYJKIIALODOH-UHFFFAOYSA-N -1 3 295.697 3.446 20 0 CGADHM O=C(c1cc([O-])ccc1Cl)N1CCc2ccc(F)cc21 ZINC000236603227 376669393 /nfs/dbraw/zinc/66/93/93/376669393.db2.gz BPBFIAXVBSTNRP-UHFFFAOYSA-N -1 3 291.709 3.388 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2c[nH]nc2-c2ccccc2F)n1 ZINC000339116393 376688973 /nfs/dbraw/zinc/68/89/73/376688973.db2.gz NXIOGKNMVNVUAJ-VOTSOKGWSA-N -1 3 296.305 3.190 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2csc(-c3ccccn3)n2)n1 ZINC000339116550 376690682 /nfs/dbraw/zinc/69/06/82/376690682.db2.gz OVOXMRJQHIJZLS-AATRIKPKSA-N -1 3 296.355 3.180 20 0 CGADHM CCn1c2ccccc2nc1NCc1nc(C)ccc1[O-] ZINC000158919093 542145656 /nfs/dbraw/zinc/14/56/56/542145656.db2.gz HLGWMQKYFBLWBO-UHFFFAOYSA-N -1 3 282.347 3.077 20 0 CGADHM O=C(CC1CCCCCC1)N=c1cc2ccccn2[n-]1 ZINC000557538218 376941504 /nfs/dbraw/zinc/94/15/04/376941504.db2.gz YLONUQIJKJEKRY-UHFFFAOYSA-N -1 3 271.364 3.055 20 0 CGADHM CCc1cc(C(=O)NCC2(C3CC3)CCC2)ccc1[O-] ZINC000557656498 376950866 /nfs/dbraw/zinc/95/08/66/376950866.db2.gz PTOUDUUBYYKOIP-UHFFFAOYSA-N -1 3 273.376 3.265 20 0 CGADHM COc1ccc(C(=O)Nc2cc(Cl)cc(C)c2[O-])cn1 ZINC000340325648 377002478 /nfs/dbraw/zinc/00/24/78/377002478.db2.gz XWQDFXPBSBALCX-UHFFFAOYSA-N -1 3 292.722 3.010 20 0 CGADHM COc1nc2ccccc2cc1C=Cc1nc(C)cc(=O)[n-]1 ZINC000558451293 377010435 /nfs/dbraw/zinc/01/04/35/377010435.db2.gz BPUICUHWHZGBIK-FPLPWBNLSA-N -1 3 293.326 3.218 20 0 CGADHM O=C(Nc1c([O-])cccc1Cl)[C@@H]1COc2ccccc21 ZINC000560820219 377193607 /nfs/dbraw/zinc/19/36/07/377193607.db2.gz NRJQACCXRNCJEU-SNVBAGLBSA-N -1 3 289.718 3.160 20 0 CGADHM CC(=O)c1cccc(NC(=O)CCC2CCC2)c1[O-] ZINC000560550227 377168360 /nfs/dbraw/zinc/16/83/60/377168360.db2.gz JLBAAQYFFFLNSE-UHFFFAOYSA-N -1 3 261.321 3.114 20 0 CGADHM O=c1cc(CNc2ccc3scnc3c2)nc(C2CC2)[n-]1 ZINC000561125717 377208333 /nfs/dbraw/zinc/20/83/33/377208333.db2.gz YENGTRNMTFHBAF-UHFFFAOYSA-N -1 3 298.371 3.281 20 0 CGADHM O=C([O-])C1(NCc2c(Cl)oc3ccccc32)CCC1 ZINC000340675425 377206284 /nfs/dbraw/zinc/20/62/84/377206284.db2.gz CRMQGXZVXJAMHV-UHFFFAOYSA-N -1 3 279.723 3.183 20 0 CGADHM CCC(C)(CC)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000264944325 190146744 /nfs/dbraw/zinc/14/67/44/190146744.db2.gz WRCQEOUGOIDIKE-UHFFFAOYSA-N -1 3 272.348 3.249 20 0 CGADHM C[C@@H]1C[C@H]1c1ccc(CNC(=O)c2cc([O-])ccc2F)o1 ZINC000562645457 377341525 /nfs/dbraw/zinc/34/15/25/377341525.db2.gz ZMWAVJVYSXLPAA-BXKDBHETSA-N -1 3 289.306 3.178 20 0 CGADHM O=C([O-])c1cnccc1N1CCSC2(CCCCC2)C1 ZINC000563203936 377421338 /nfs/dbraw/zinc/42/13/38/377421338.db2.gz JXWAVNNVYACLSS-UHFFFAOYSA-N -1 3 292.404 3.036 20 0 CGADHM C[C@H](c1ccc(C(=O)[O-])o1)N1CC(C)(C)C[C@@H]1C ZINC000563280219 377433020 /nfs/dbraw/zinc/43/30/20/377433020.db2.gz MDTPKXQTSBSONO-VHSXEESVSA-N -1 3 251.326 3.159 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2ccc3c(c2)COC3)c1 ZINC000092047566 249031742 /nfs/dbraw/zinc/03/17/42/249031742.db2.gz RVDYGRCNUCVERA-UHFFFAOYSA-N -1 3 283.327 3.237 20 0 CGADHM Cc1cc(F)cc(NCc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000417028718 249124919 /nfs/dbraw/zinc/12/49/19/249124919.db2.gz VANJPRNHBIESMF-UHFFFAOYSA-N -1 3 273.311 3.119 20 0 CGADHM O=C(Nc1ccccc1[O-])c1c(F)cc(F)cc1F ZINC000176699053 542188883 /nfs/dbraw/zinc/18/88/83/542188883.db2.gz WNQLCZHZCSQZKN-UHFFFAOYSA-N -1 3 267.206 3.062 20 0 CGADHM CSC[C@@H]1CCCN1Cc1cc(C(=O)[O-])ccc1Cl ZINC000514943764 249195830 /nfs/dbraw/zinc/19/58/30/249195830.db2.gz MEDUFXOLKQZCNQ-LBPRGKRZSA-N -1 3 299.823 3.366 20 0 CGADHM CCC[C@H]1CCCC[C@@H]1CNC(=O)c1csc(=O)[n-]1 ZINC000515428517 249210856 /nfs/dbraw/zinc/21/08/56/249210856.db2.gz DFXYCTIOYIPTQS-WDEREUQCSA-N -1 3 282.409 3.185 20 0 CGADHM CCc1oc(C(=O)[O-])cc1CN1CC[C@@H](C)[C@@H](C)C1 ZINC000515660122 249218559 /nfs/dbraw/zinc/21/85/59/249218559.db2.gz MYBYJUKVQJAZRS-MNOVXSKESA-N -1 3 265.353 3.018 20 0 CGADHM O=C([O-])CCCCN1CCC(c2cccc(F)c2F)CC1 ZINC000516467132 249233850 /nfs/dbraw/zinc/23/38/50/249233850.db2.gz ALHXHTREMYOAST-UHFFFAOYSA-N -1 3 297.345 3.399 20 0 CGADHM Cc1ccc(C(=O)N[C@@H]2CCc3ccc(F)cc32)c([O-])c1 ZINC000517370509 249263685 /nfs/dbraw/zinc/26/36/85/249263685.db2.gz HFJHDKOROHQMMA-OAHLLOKOSA-N -1 3 285.318 3.257 20 0 CGADHM COCC1(CC(=O)Nc2ccc(C(C)(C)C)cc2[O-])CC1 ZINC000574402585 377658572 /nfs/dbraw/zinc/65/85/72/377658572.db2.gz PHHIWYGSWOFWKZ-UHFFFAOYSA-N -1 3 291.391 3.445 20 0 CGADHM O=C(/C=C\SCc1ccco1)[N-]OCc1ccccc1 ZINC000254931808 377717063 /nfs/dbraw/zinc/71/70/63/377717063.db2.gz VPSORROQXGCYDQ-NTMALXAHSA-N -1 3 289.356 3.275 20 0 CGADHM CSc1ccc(NC(=O)/C=C\c2cncc([O-])c2)cc1 ZINC000255567688 377766763 /nfs/dbraw/zinc/76/67/63/377766763.db2.gz NZVNGCPMMVSMAQ-UQCOIBPSSA-N -1 3 286.356 3.161 20 0 CGADHM CC(C)(C)CCCCC(=O)NCc1ncccc1[O-] ZINC000343011798 377882984 /nfs/dbraw/zinc/88/29/84/377882984.db2.gz NVKCIUPNMVJFLR-UHFFFAOYSA-N -1 3 264.369 3.010 20 0 CGADHM C[C@H](c1c(F)cccc1F)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000263328173 377926488 /nfs/dbraw/zinc/92/64/88/377926488.db2.gz KYDGSRGVLOKNHS-GMTAPVOTSA-N -1 3 283.318 3.068 20 0 CGADHM C[C@@H]1C[C@H](c2cccnc2)N(Cc2ccc(C(=O)[O-])cc2)C1 ZINC000263396274 377932010 /nfs/dbraw/zinc/93/20/10/377932010.db2.gz GQZRWLLQSCTEQU-CXAGYDPISA-N -1 3 296.370 3.363 20 0 CGADHM COc1ccc(-c2ccccc2)cc1CN(C)CCC(=O)[O-] ZINC000263441299 377938417 /nfs/dbraw/zinc/93/84/17/377938417.db2.gz WPGZFWVEPLBHAL-UHFFFAOYSA-N -1 3 299.370 3.269 20 0 CGADHM C[C@@]1(C(=O)[O-])CCN(Cc2cscc2C(F)(F)F)C1 ZINC000263462074 377939034 /nfs/dbraw/zinc/93/90/34/377939034.db2.gz BZJUDUXNABGESW-LLVKDONJSA-N -1 3 293.310 3.064 20 0 CGADHM CCCc1ccc2nccc(N3CC[C@H](C(=O)[O-])C3)c2c1 ZINC000263501184 377942930 /nfs/dbraw/zinc/94/29/30/377942930.db2.gz KVAOLKCTCBXRBH-ZDUSSCGKSA-N -1 3 284.359 3.098 20 0 CGADHM CCc1cc(N2CCC(C(=O)[O-])CC2)c2ccccc2n1 ZINC000263527491 377944529 /nfs/dbraw/zinc/94/45/29/377944529.db2.gz UTCLNZGIVBRPJK-UHFFFAOYSA-N -1 3 284.359 3.098 20 0 CGADHM Cc1cc(F)c(CNCCC(C)(C)C(=O)[O-])c(Cl)c1 ZINC000263005344 377912535 /nfs/dbraw/zinc/91/25/35/377912535.db2.gz AHAVYGRNOGGVAQ-UHFFFAOYSA-N -1 3 287.762 3.378 20 0 CGADHM C[C@H]1CCN(C(=O)c2cc(=O)c3ccccc3[n-]2)[C@@H](C)C1 ZINC000265960167 378012153 /nfs/dbraw/zinc/01/21/53/378012153.db2.gz YGZKBDYESJDDTI-RYUDHWBXSA-N -1 3 284.359 3.201 20 0 CGADHM C[C@H](CC(=O)[O-])N(C)Cc1c(Cl)ccc2cccnc21 ZINC000575883070 377999160 /nfs/dbraw/zinc/99/91/60/377999160.db2.gz HIGWFYGHZBJFFI-SNVBAGLBSA-N -1 3 292.766 3.183 20 0 CGADHM O=C(C=C1CCCCC1)NCc1ccc([O-])c(F)c1 ZINC000268622097 378081750 /nfs/dbraw/zinc/08/17/50/378081750.db2.gz ZNKRAVIXBPWXEY-UHFFFAOYSA-N -1 3 263.312 3.038 20 0 CGADHM CCc1cc(=O)[n-]c(CSCc2sc(C)nc2C)n1 ZINC000268629982 378082937 /nfs/dbraw/zinc/08/29/37/378082937.db2.gz XCAJTOLMFOUDQP-UHFFFAOYSA-N -1 3 295.433 3.251 20 0 CGADHM CC(C)CN(CCC(=O)[O-])Cc1ccc(Cl)cc1F ZINC000579365400 378154012 /nfs/dbraw/zinc/15/40/12/378154012.db2.gz ZTJODHSRUPVHLI-UHFFFAOYSA-N -1 3 287.762 3.412 20 0 CGADHM CO[C@@H]1CCC[C@@H](C(=O)Nc2cc(Cl)cc(C)c2[O-])C1 ZINC000343928372 378135831 /nfs/dbraw/zinc/13/58/31/378135831.db2.gz MECXFWWWEWNUAY-ZYHUDNBSSA-N -1 3 297.782 3.498 20 0 CGADHM CCC[C@]1(C)CCCN(Cc2ccoc2C(=O)[O-])C1 ZINC000578778041 378098975 /nfs/dbraw/zinc/09/89/75/378098975.db2.gz FMOVIRLZWQLSSK-OAHLLOKOSA-N -1 3 265.353 3.380 20 0 CGADHM CC(=O)c1cccc(NC(=O)c2cc(C)cc(C)c2)c1[O-] ZINC000578798437 378101650 /nfs/dbraw/zinc/10/16/50/378101650.db2.gz HDBCHMCMKUYSAK-UHFFFAOYSA-N -1 3 283.327 3.464 20 0 CGADHM O=C(NCC12CCC(CC1)C2)c1cc([O-])ccc1Cl ZINC000343828254 378107274 /nfs/dbraw/zinc/10/72/74/378107274.db2.gz HHOUQDVUIFLRFJ-UHFFFAOYSA-N -1 3 279.767 3.356 20 0 CGADHM Cc1cc(C(=O)N(C)C[C@@H]2CC=CCC2)ccc1[O-] ZINC000345481303 378292663 /nfs/dbraw/zinc/29/26/63/378292663.db2.gz UNGSTRMJCXJVPN-CYBMUJFWSA-N -1 3 259.349 3.129 20 0 CGADHM C[C@H](C(=O)[O-])N(Cc1cc(Cl)ccc1F)C1CCC1 ZINC000582192846 378293686 /nfs/dbraw/zinc/29/36/86/378293686.db2.gz VUBAWPMPNABSCY-SECBINFHSA-N -1 3 285.746 3.307 20 0 CGADHM CCc1ncsc1C(=O)[N-]c1nc(C(C)(C)C)ns1 ZINC000269685539 378253929 /nfs/dbraw/zinc/25/39/29/378253929.db2.gz SKCIKIFEFKSNTQ-UHFFFAOYSA-N -1 3 296.421 3.107 20 0 CGADHM O=C([N-]C1CCCC1)C(F)(F)c1c(F)cccc1F ZINC000270149901 378314204 /nfs/dbraw/zinc/31/42/04/378314204.db2.gz UWFFRURXYOTWCO-UHFFFAOYSA-N -1 3 275.245 3.115 20 0 CGADHM CC(C)[C@@H]1CN(Cc2csc(C(=O)[O-])c2)CCS1 ZINC000583504711 378326114 /nfs/dbraw/zinc/32/61/14/378326114.db2.gz BIDUQMWDXFGZNY-LBPRGKRZSA-N -1 3 285.434 3.020 20 0 CGADHM CC1(CNC(=O)CCCc2ccc([O-])c(F)c2)CCC1 ZINC000345760404 378363865 /nfs/dbraw/zinc/36/38/65/378363865.db2.gz REBBDSQUKXZSME-UHFFFAOYSA-N -1 3 279.355 3.160 20 0 CGADHM Cc1noc(C)c1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000345695740 378347087 /nfs/dbraw/zinc/34/70/87/378347087.db2.gz JDCNECSJEKJRQL-UHFFFAOYSA-N -1 3 292.310 3.098 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2ccc(Cl)c(F)c2)n1 ZINC000345945300 378416970 /nfs/dbraw/zinc/41/69/70/378416970.db2.gz SYVXGDWRKNWVBR-UHFFFAOYSA-N -1 3 280.686 3.140 20 0 CGADHM Cc1ccc([O-])c(NC(=O)C(C)(C)c2ccccc2C)n1 ZINC000346004201 378436766 /nfs/dbraw/zinc/43/67/66/378436766.db2.gz XNQIXPLAPGYGGB-UHFFFAOYSA-N -1 3 284.359 3.320 20 0 CGADHM [O-]C(=NOC1CCCC1)Nc1nc2c(s1)CCCCC2 ZINC000271737509 378502952 /nfs/dbraw/zinc/50/29/52/378502952.db2.gz VPSDGBUBIVVPMG-UHFFFAOYSA-N -1 3 295.408 3.408 20 0 CGADHM O=C([N-]OC1CCCC1)Nc1nc2c(s1)CCCCC2 ZINC000271737509 378502957 /nfs/dbraw/zinc/50/29/57/378502957.db2.gz VPSDGBUBIVVPMG-UHFFFAOYSA-N -1 3 295.408 3.408 20 0 CGADHM COc1cccc(/C(C)=C/C(=O)[N-]OC2CCCC2)c1 ZINC000271813214 378507619 /nfs/dbraw/zinc/50/76/19/378507619.db2.gz UQWFCOOZXXQUTJ-ZRDIBKRKSA-N -1 3 275.348 3.089 20 0 CGADHM CCOc1nc2cc(C(=O)N[C@@H](C)[C@H](C)CC)ccc2[n-]1 ZINC000346377718 378561146 /nfs/dbraw/zinc/56/11/46/378561146.db2.gz FFXHIPVUJXMQJL-MNOVXSKESA-N -1 3 289.379 3.126 20 0 CGADHM CCOc1nc2ccc(C(=O)N[C@@H](C)[C@H](C)CC)cc2[n-]1 ZINC000346377718 378561151 /nfs/dbraw/zinc/56/11/51/378561151.db2.gz FFXHIPVUJXMQJL-MNOVXSKESA-N -1 3 289.379 3.126 20 0 CGADHM Cc1cccc(NC([O-])=NOC2CCCC2)c1F ZINC000271972017 378533258 /nfs/dbraw/zinc/53/32/58/378533258.db2.gz CKYUGBUHCUTEMA-UHFFFAOYSA-N -1 3 252.289 3.130 20 0 CGADHM Cc1cccc(NC(=O)[N-]OC2CCCC2)c1F ZINC000271972017 378533266 /nfs/dbraw/zinc/53/32/66/378533266.db2.gz CKYUGBUHCUTEMA-UHFFFAOYSA-N -1 3 252.289 3.130 20 0 CGADHM Cc1cc(C(=O)Nc2nc(C(C)(C)C)ns2)ccc1[O-] ZINC000272362246 378620857 /nfs/dbraw/zinc/62/08/57/378620857.db2.gz CENNZDVGPPVAKN-UHFFFAOYSA-N -1 3 291.376 3.102 20 0 CGADHM COc1cc(C(=O)N(C)C2CCC(C)CC2)ccc1[O-] ZINC000272610175 378676611 /nfs/dbraw/zinc/67/66/11/378676611.db2.gz NMVOXRFYAXHQTD-UHFFFAOYSA-N -1 3 277.364 3.052 20 0 CGADHM CCS[C@H]1CCCCN(C(=O)c2cccc([O-])c2)C1 ZINC000272704907 378692003 /nfs/dbraw/zinc/69/20/03/378692003.db2.gz CAWWNKGIFWONJI-AWEZNQCLSA-N -1 3 279.405 3.140 20 0 CGADHM Cc1ncc(CN[C@H](C)c2ccc3c(c2)CCCC3)c(=O)[n-]1 ZINC000346785651 218012904 /nfs/dbraw/zinc/01/29/04/218012904.db2.gz CSTNWTDUPUPLCE-GFCCVEGCSA-N -1 3 297.402 3.220 20 0 CGADHM [O-]c1cc(F)cc(CN[C@@H]2CCc3c2cccc3O)c1 ZINC000274440658 378833687 /nfs/dbraw/zinc/83/36/87/378833687.db2.gz OQNQTFLYPBZEEB-OAHLLOKOSA-N -1 3 273.307 3.014 20 0 CGADHM Cc1ncc(CN[C@@H](C)c2cc3ccccc3o2)c(=O)[n-]1 ZINC000346792454 218016091 /nfs/dbraw/zinc/01/60/91/218016091.db2.gz KUDHEHHPGPNIRY-JTQLQIEISA-N -1 3 283.331 3.088 20 0 CGADHM CCc1ccc([C@@H](CC)NCc2cnc(C)[n-]c2=O)cc1 ZINC000346802598 218018926 /nfs/dbraw/zinc/01/89/26/218018926.db2.gz DEQZLFGSSBVKER-MRXNPFEDSA-N -1 3 285.391 3.294 20 0 CGADHM CSc1ccc([C@@H](C)NCc2cnc(C)[n-]c2=O)cc1 ZINC000346802901 218019799 /nfs/dbraw/zinc/01/97/99/218019799.db2.gz DUENNONRZJJSBS-SNVBAGLBSA-N -1 3 289.404 3.063 20 0 CGADHM Cc1ncc(CN[C@@H]2CCCCc3ccccc32)c(=O)[n-]1 ZINC000346807797 218020945 /nfs/dbraw/zinc/02/09/45/218020945.db2.gz MITDZAGKSWZCAP-MRXNPFEDSA-N -1 3 283.375 3.048 20 0 CGADHM CC(C)Cc1nsc(NCc2ccc([O-])c(F)c2)n1 ZINC000274574543 378853338 /nfs/dbraw/zinc/85/33/38/378853338.db2.gz ACTWIAPRFDNBDD-UHFFFAOYSA-N -1 3 281.356 3.193 20 0 CGADHM CCCN(CC)C(=O)c1c[n-]c2c(C)cccc2c1=O ZINC000274904838 378916603 /nfs/dbraw/zinc/91/66/03/378916603.db2.gz FQBRUNHSXFFSDP-UHFFFAOYSA-N -1 3 272.348 3.121 20 0 CGADHM CC(C)c1ccc(NC(=O)NCc2ncccc2[O-])cc1 ZINC000348436266 378955705 /nfs/dbraw/zinc/95/57/05/378955705.db2.gz ASAPLSDFHAMOPQ-UHFFFAOYSA-N -1 3 285.347 3.232 20 0 CGADHM Cc1sccc1CC(=O)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000348722108 379034432 /nfs/dbraw/zinc/03/44/32/379034432.db2.gz RBGOMKXFUABOMI-UHFFFAOYSA-N -1 3 297.383 3.050 20 0 CGADHM CCCc1ccc(-c2cc(=NC(=O)c3cc[nH]c3)[nH][n-]2)cc1 ZINC000348809399 379060994 /nfs/dbraw/zinc/06/09/94/379060994.db2.gz OHIXEHUMBUOHGB-UHFFFAOYSA-N -1 3 294.358 3.032 20 0 CGADHM CC(C)(C)OC(=O)CCC(=O)Nc1ccc(Cl)cc1[O-] ZINC000277759013 379229217 /nfs/dbraw/zinc/22/92/17/379229217.db2.gz OJKDLOLGOFOIIX-UHFFFAOYSA-N -1 3 299.754 3.106 20 0 CGADHM CC[C@@H](NC(=O)c1csc(=O)[n-]1)c1ccc(C)cc1 ZINC000349325642 379231737 /nfs/dbraw/zinc/23/17/37/379231737.db2.gz SGWLWGTYZMNSKO-LLVKDONJSA-N -1 3 276.361 3.038 20 0 CGADHM CCOc1cc(-c2noc(C=C(C)C)n2)ccc1[O-] ZINC000277826019 379244945 /nfs/dbraw/zinc/24/49/45/379244945.db2.gz HSRKZMXYHAEJSM-UHFFFAOYSA-N -1 3 260.293 3.264 20 0 CGADHM Cc1cc(F)ccc1NC(=O)c1c[n-]nc1-c1ccncc1 ZINC000349381727 379261911 /nfs/dbraw/zinc/26/19/11/379261911.db2.gz QUMNLWBFAJYRHM-UHFFFAOYSA-N -1 3 296.305 3.172 20 0 CGADHM Cc1cc(F)ccc1NC(=O)c1cn[n-]c1-c1ccncc1 ZINC000349381727 379261922 /nfs/dbraw/zinc/26/19/22/379261922.db2.gz QUMNLWBFAJYRHM-UHFFFAOYSA-N -1 3 296.305 3.172 20 0 CGADHM CC[C@@H](NCc1cc([O-])cc(F)c1)c1c(C)nn(C)c1C ZINC000349596125 379315770 /nfs/dbraw/zinc/31/57/70/379315770.db2.gz FNKXLLOSSALLTJ-OAHLLOKOSA-N -1 3 291.370 3.123 20 0 CGADHM COC[C@H]([N-]c1nnc(C2CC2)o1)c1ccc(Cl)cc1 ZINC000278266724 379332854 /nfs/dbraw/zinc/33/28/54/379332854.db2.gz AHEPRAUBCYNYMU-LBPRGKRZSA-N -1 3 293.754 3.400 20 0 CGADHM C[C@@H]1CC[C@@H](NC(=O)c2c[n-]c3ccccc3c2=O)C[C@@H]1C ZINC000349591461 379312600 /nfs/dbraw/zinc/31/26/00/379312600.db2.gz UPCDBVDJXIIMTO-FRRDWIJNSA-N -1 3 298.386 3.083 20 0 CGADHM COc1cc(C)c(NC([O-])=NOC2CCCC2)cc1C ZINC000278454841 379392238 /nfs/dbraw/zinc/39/22/38/379392238.db2.gz GRNPGLMRUHHGNG-UHFFFAOYSA-N -1 3 278.352 3.308 20 0 CGADHM COc1cc(C)c(NC(=O)[N-]OC2CCCC2)cc1C ZINC000278454841 379392247 /nfs/dbraw/zinc/39/22/47/379392247.db2.gz GRNPGLMRUHHGNG-UHFFFAOYSA-N -1 3 278.352 3.308 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)N(C)C[C@H](C)c2ccccc2)n1 ZINC000279528815 379452224 /nfs/dbraw/zinc/45/22/24/379452224.db2.gz RJSATKIKFTZLPG-GXTWGEPZSA-N -1 3 285.391 3.287 20 0 CGADHM C[C@@H]1CN(C(=O)c2cc(=O)c3ccccc3[n-]2)C(C)(C)C1 ZINC000266942135 190292558 /nfs/dbraw/zinc/29/25/58/190292558.db2.gz WZXPICMWBTXIRY-NSHDSACASA-N -1 3 284.359 3.201 20 0 CGADHM CSCCO[N-]C(=O)Cc1coc2cc(C)c(C)cc12 ZINC000279959529 379564351 /nfs/dbraw/zinc/56/43/51/379564351.db2.gz JMULYVYEKCIMLA-UHFFFAOYSA-N -1 3 293.388 3.003 20 0 CGADHM CCC[C@H](C)c1cc(NC(=O)c2cc(C(F)F)[n-]n2)n[nH]1 ZINC000639831678 379604184 /nfs/dbraw/zinc/60/41/84/379604184.db2.gz SOUSMFPCOXASIZ-ZETCQYMHSA-N -1 3 297.309 3.226 20 0 CGADHM COc1cccc(C(=O)N2CCC[C@@H](C(C)(C)C)C2)c1[O-] ZINC000280479492 379713684 /nfs/dbraw/zinc/71/36/84/379713684.db2.gz JSPXBUBTMQNHDR-GFCCVEGCSA-N -1 3 291.391 3.299 20 0 CGADHM COc1cc(F)ccc1NCc1c(F)ccc([O-])c1F ZINC000351816387 379744013 /nfs/dbraw/zinc/74/40/13/379744013.db2.gz QNRYLAYPPSJSLT-UHFFFAOYSA-N -1 3 283.249 3.430 20 0 CGADHM Cc1cc(C)c(C(=O)[N-]c2nc(C(C)(C)C)ns2)o1 ZINC000267286003 190318180 /nfs/dbraw/zinc/31/81/80/190318180.db2.gz YBVOIKKIEVBZSQ-UHFFFAOYSA-N -1 3 279.365 3.298 20 0 CGADHM Cc1ccsc1[C@@H]1C[C@H]1C(=O)Nc1cccc2n[n-]nc21 ZINC000640380437 379780600 /nfs/dbraw/zinc/78/06/00/379780600.db2.gz RWCYJJRDLKUBCL-NXEZZACHSA-N -1 3 298.371 3.070 20 0 CGADHM C[C@H](CN(C)Cc1cc(C(=O)[O-])co1)C(C)(C)C ZINC000399567426 379941711 /nfs/dbraw/zinc/94/17/11/379941711.db2.gz ITVJTHCTKYUNFS-SNVBAGLBSA-N -1 3 253.342 3.092 20 0 CGADHM C[C@H]1CCCCN(Cc2c(F)ccc([O-])c2F)C1 ZINC000352945505 380051438 /nfs/dbraw/zinc/05/14/38/380051438.db2.gz JJTTWITXXBYTHE-JTQLQIEISA-N -1 3 255.308 3.292 20 0 CGADHM CC[C@H]1[C@@H](C)CCN1Cc1c(F)ccc([O-])c1F ZINC000352944060 380051830 /nfs/dbraw/zinc/05/18/30/380051830.db2.gz FTOZYARNYIFVBU-CABZTGNLSA-N -1 3 255.308 3.291 20 0 CGADHM [O-]c1cccnc1CNCc1ccccc1C(F)(F)F ZINC000347900065 218393324 /nfs/dbraw/zinc/39/33/24/218393324.db2.gz CNZRHIYAQQNMHW-UHFFFAOYSA-N -1 3 282.265 3.096 20 0 CGADHM CC(C)(C)c1ccc(NC(=O)c2cc(F)c[nH]2)c([O-])c1 ZINC000353048008 380092927 /nfs/dbraw/zinc/09/29/27/380092927.db2.gz OQGRHGBAAXHLRR-UHFFFAOYSA-N -1 3 276.311 3.409 20 0 CGADHM CCOc1cc(CN2C[C@@H](C)O[C@@H](C)C2)cc(Cl)c1[O-] ZINC000283955473 380109619 /nfs/dbraw/zinc/10/96/19/380109619.db2.gz IDJGVKBIHSTZET-PHIMTYICSA-N -1 3 299.798 3.054 20 0 CGADHM CCc1cc(C(=O)N2CC(C)(C)C[C@@H]2C)ccc1[O-] ZINC000413972710 380188032 /nfs/dbraw/zinc/18/80/32/380188032.db2.gz KOZSHCHPEURGFO-NSHDSACASA-N -1 3 261.365 3.215 20 0 CGADHM O=C(Nc1ccc2c(c1)CCC2)c1cc(C(F)F)[n-]n1 ZINC000643612629 380369893 /nfs/dbraw/zinc/36/98/93/380369893.db2.gz OJJKQEXEPBWJFD-UHFFFAOYSA-N -1 3 277.274 3.088 20 0 CGADHM C[C@H]1CCC[C@@H](Cc2nc(-c3ccc4n[n-]nc4c3)no2)C1 ZINC000643895067 380391272 /nfs/dbraw/zinc/39/12/72/380391272.db2.gz IARZZBLHGOSFMR-WDEREUQCSA-N -1 3 297.362 3.377 20 0 CGADHM C[C@@H](CC(=O)[O-])NCc1cc(Cl)ccc1OCC1CC1 ZINC000414637413 380348876 /nfs/dbraw/zinc/34/88/76/380348876.db2.gz MINJXEUXZRBXCG-JTQLQIEISA-N -1 3 297.782 3.082 20 0 CGADHM CCC[C@H]1SCCN1C(=O)c1cc([O-])ccc1Cl ZINC000354400729 380425509 /nfs/dbraw/zinc/42/55/09/380425509.db2.gz MVAAIALOGYQLSO-GFCCVEGCSA-N -1 3 285.796 3.361 20 0 CGADHM CCc1cc(C(=O)N2CCc3c2cccc3C)ccc1[O-] ZINC000643967813 380402092 /nfs/dbraw/zinc/40/20/92/380402092.db2.gz VMABOTPDUMXPGR-UHFFFAOYSA-N -1 3 281.355 3.466 20 0 CGADHM CCc1cc(C(=O)N(CC)CCC(F)(F)F)ccc1[O-] ZINC000643968804 380403812 /nfs/dbraw/zinc/40/38/12/380403812.db2.gz URTAANJKNLHIPO-UHFFFAOYSA-N -1 3 289.297 3.369 20 0 CGADHM Cc1cc(C(=O)Nc2cc(C3CCCC3)[nH]n2)ccc1[O-] ZINC000354719686 380537735 /nfs/dbraw/zinc/53/77/35/380537735.db2.gz AJMOFOUBNKLWHH-UHFFFAOYSA-N -1 3 285.347 3.334 20 0 CGADHM CC(C)(C)C[C@H](CC(=O)[O-])NCc1ccc(Cl)o1 ZINC000417562133 380638620 /nfs/dbraw/zinc/63/86/20/380638620.db2.gz BNHXXRLOLILGFM-VIFPVBQESA-N -1 3 273.760 3.302 20 0 CGADHM C[C@H]1CCC[C@@](NCc2csc(C3CC3)n2)(C(=O)[O-])C1 ZINC000417572361 380642025 /nfs/dbraw/zinc/64/20/25/380642025.db2.gz VLKIIPJBDFXHJV-BONVTDFDSA-N -1 3 294.420 3.144 20 0 CGADHM CCOc1ccccc1CNCCc1ccc(C(=O)[O-])cc1 ZINC000417584082 380645611 /nfs/dbraw/zinc/64/56/11/380645611.db2.gz MBLGUVRXMLNSPZ-UHFFFAOYSA-N -1 3 299.370 3.116 20 0 CGADHM C[C@@H]1CN(Cc2c(F)ccc([O-])c2F)[C@@H](C)[C@H]1C ZINC000418123743 380705142 /nfs/dbraw/zinc/70/51/42/380705142.db2.gz LQFKZUIBUYATEO-UTLUCORTSA-N -1 3 255.308 3.147 20 0 CGADHM [O-]c1cccc(CN[C@H](CO)CC2CCCCC2)c1Cl ZINC000418122349 380705771 /nfs/dbraw/zinc/70/57/71/380705771.db2.gz DVZBYHRGIKKXAI-AWEZNQCLSA-N -1 3 297.826 3.467 20 0 CGADHM O=C([O-])[C@@H](CC1CCCCC1)NCc1ccc(Cl)o1 ZINC000417615191 380651838 /nfs/dbraw/zinc/65/18/38/380651838.db2.gz WXXWLCVHWOZZTN-GFCCVEGCSA-N -1 3 285.771 3.446 20 0 CGADHM C[C@@H](NCc1c(Cl)cccc1Cl)[C@H](C)C(=O)[O-] ZINC000417615342 380652297 /nfs/dbraw/zinc/65/22/97/380652297.db2.gz TVJCFPFJANSKNX-JGVFFNPUSA-N -1 3 276.163 3.192 20 0 CGADHM Cc1ccsc1CN[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC000417621445 380655435 /nfs/dbraw/zinc/65/54/35/380655435.db2.gz MVCNBZJSRXGALJ-KBPBESRZSA-N -1 3 287.384 3.459 20 0 CGADHM COc1cccc(CN[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)c1 ZINC000417624131 380656394 /nfs/dbraw/zinc/65/63/94/380656394.db2.gz PZQOOMFOGJZJKL-SJORKVTESA-N -1 3 297.354 3.098 20 0 CGADHM Cc1cc(Cl)cc(C)c1CN[C@@H]1C=C[C@H](C(=O)[O-])C1 ZINC000417632250 380658078 /nfs/dbraw/zinc/65/80/78/380658078.db2.gz ZPUINVDAPYIBOW-WCQYABFASA-N -1 3 279.767 3.076 20 0 CGADHM Cc1ccc(CNC[C@H](CC(=O)[O-])C(F)(F)F)c(C)c1 ZINC000417638178 380660528 /nfs/dbraw/zinc/66/05/28/380660528.db2.gz ZYNZKSBHIGIWSB-LBPRGKRZSA-N -1 3 289.297 3.046 20 0 CGADHM CC[C@H](C)[C@@H](OC)C(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000356822831 380885418 /nfs/dbraw/zinc/88/54/18/380885418.db2.gz OVNVUBCCOZLGIN-HWWQOWPSSA-N -1 3 291.391 3.294 20 0 CGADHM Cc1cccc([O-])c1NC(=O)CO[C@@H]1CCCC[C@H]1C ZINC000357093717 381024464 /nfs/dbraw/zinc/02/44/64/381024464.db2.gz LRCNPWXJEOYAKX-BXUZGUMPSA-N -1 3 277.364 3.234 20 0 CGADHM CCCCO[C@@H]1C[C@H](NC(=O)c2cccc([O-])c2)C1(C)C ZINC000357312016 381102089 /nfs/dbraw/zinc/10/20/89/381102089.db2.gz WBRZWQJZVXJVPP-LSDHHAIUSA-N -1 3 291.391 3.106 20 0 CGADHM CCc1ccc([C@@H]2CCCCN2CCCC(=O)[O-])o1 ZINC000572775488 322353993 /nfs/dbraw/zinc/35/39/93/322353993.db2.gz LWWWTBAMBYIUMJ-ZDUSSCGKSA-N -1 3 265.353 3.234 20 0 CGADHM CN(C(=O)c1c[n-]c2ccccc2c1=O)[C@@H]1CCC(C)(C)C1 ZINC000334880742 207234326 /nfs/dbraw/zinc/23/43/26/207234326.db2.gz UQKJJGITDFZLHG-GFCCVEGCSA-N -1 3 298.386 3.179 20 0 CGADHM Cc1ccc(-c2nnc(NC(=O)[C@@H](C)CC(C)(C)C)[n-]2)o1 ZINC000361500796 381778397 /nfs/dbraw/zinc/77/83/97/381778397.db2.gz JCUGHVXEVHRBQL-VIFPVBQESA-N -1 3 290.367 3.384 20 0 CGADHM Cc1ccc(-c2n[n-]c(NC(=O)[C@@H](C)CC(C)(C)C)n2)o1 ZINC000361500796 381778401 /nfs/dbraw/zinc/77/84/01/381778401.db2.gz JCUGHVXEVHRBQL-VIFPVBQESA-N -1 3 290.367 3.384 20 0 CGADHM Cc1ccc(-c2nc(NC(=O)[C@@H](C)CC(C)(C)C)n[n-]2)o1 ZINC000361500796 381778403 /nfs/dbraw/zinc/77/84/03/381778403.db2.gz JCUGHVXEVHRBQL-VIFPVBQESA-N -1 3 290.367 3.384 20 0 CGADHM O=C(N[C@@H]1CCCC(F)(F)C1)c1cc([O-])ccc1Cl ZINC000334960304 207364163 /nfs/dbraw/zinc/36/41/63/207364163.db2.gz MBYSTKYMOXNIPV-MRVPVSSYSA-N -1 3 289.709 3.353 20 0 CGADHM Cc1ccc(CN2CC[C@H](C)C[C@@H]2C(=O)[O-])c(Cl)c1 ZINC000235663937 542312849 /nfs/dbraw/zinc/31/28/49/542312849.db2.gz ZLHUKAKIAJAHGG-SMDDNHRTSA-N -1 3 281.783 3.334 20 0 CGADHM CSc1ccc(CNC(=O)c2ccc([O-])c(C)c2)cc1 ZINC000436926905 532956451 /nfs/dbraw/zinc/95/64/51/532956451.db2.gz MDYVDOMMKVECDE-UHFFFAOYSA-N -1 3 287.384 3.353 20 0 CGADHM CCc1cnc([N-]C(=O)c2nnc(C(C)(C)C)s2)s1 ZINC000280867771 195008163 /nfs/dbraw/zinc/00/81/63/195008163.db2.gz DXXVLLGWEJCKHW-UHFFFAOYSA-N -1 3 296.421 3.107 20 0 CGADHM CSCCON=C([O-])Nc1cccc(C)c1Cl ZINC000281058211 195086875 /nfs/dbraw/zinc/08/68/75/195086875.db2.gz BNHAVTPYBWVZMW-UHFFFAOYSA-N -1 3 274.773 3.065 20 0 CGADHM CSCCO[N-]C(=O)Nc1cccc(C)c1Cl ZINC000281058211 195086877 /nfs/dbraw/zinc/08/68/77/195086877.db2.gz BNHAVTPYBWVZMW-UHFFFAOYSA-N -1 3 274.773 3.065 20 0 CGADHM COC1(c2noc(Cc3ccc([O-])cc3Cl)n2)CCC1 ZINC000350492382 533030005 /nfs/dbraw/zinc/03/00/05/533030005.db2.gz ISWKEEBZGBEHRE-UHFFFAOYSA-N -1 3 294.738 3.045 20 0 CGADHM O=C(Nc1ccc([O-])cc1F)c1cc[nH]c1C1CCC1 ZINC000335291825 208115607 /nfs/dbraw/zinc/11/56/07/208115607.db2.gz GBZAJBCXOYNWIJ-UHFFFAOYSA-N -1 3 274.295 3.379 20 0 CGADHM [O-]c1cccc(CN[C@@H]2C[C@H]3C[C@H]3C2)c1Br ZINC000335395236 208364946 /nfs/dbraw/zinc/36/49/46/208364946.db2.gz LVGVGPXRCLDOOH-JGPRNRPPSA-N -1 3 282.181 3.043 20 0 CGADHM CCOCCCCNC(=O)c1cc([O-])c2ccccc2c1 ZINC000279525173 542379016 /nfs/dbraw/zinc/37/90/16/542379016.db2.gz MFLLCOGTSHZEGF-UHFFFAOYSA-N -1 3 287.359 3.092 20 0 CGADHM COCC1CCN(C(=O)c2cc([O-])c3ccccc3c2)CC1 ZINC000280806126 542382572 /nfs/dbraw/zinc/38/25/72/542382572.db2.gz GPZSRSHDBYPBMX-UHFFFAOYSA-N -1 3 299.370 3.044 20 0 CGADHM C[C@H]1C[C@@H](CNC(=O)c2cc([O-])c3ccccc3c2)CCO1 ZINC000281536780 542384300 /nfs/dbraw/zinc/38/43/00/542384300.db2.gz KGVJLIPGWHLODV-STQMWFEESA-N -1 3 299.370 3.090 20 0 CGADHM COCc1noc(-c2cc3cc(Cl)sc3[n-]2)n1 ZINC000350399230 219014209 /nfs/dbraw/zinc/01/42/09/219014209.db2.gz OGSPIFRZNGBTDS-UHFFFAOYSA-N -1 3 269.713 3.079 20 0 CGADHM C[C@H]1Oc2ccccc2[C@H]1NCc1cc([O-])cc(F)c1 ZINC000288715503 197150368 /nfs/dbraw/zinc/15/03/68/197150368.db2.gz ZNQWQZZOXHAKOX-HWPZZCPQSA-N -1 3 273.307 3.143 20 0 CGADHM O=c1[n-]c(-c2ccco2)nc2cc(C(F)(F)F)ccc12 ZINC000119837041 285194660 /nfs/dbraw/zinc/19/46/60/285194660.db2.gz XRMNVVLVEJRWRL-UHFFFAOYSA-N -1 3 280.205 3.202 20 0 CGADHM COC[C@]1(C)CCN(C(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000295330732 542406252 /nfs/dbraw/zinc/40/62/52/542406252.db2.gz DBDWITOZXGKCFL-GOSISDBHSA-N -1 3 299.370 3.044 20 0 CGADHM CCOc1ccccc1[N-]S(=O)(=O)C1=CCCCC1 ZINC000281242417 195163570 /nfs/dbraw/zinc/16/35/70/195163570.db2.gz TUWYSTFCHSERQN-UHFFFAOYSA-N -1 3 281.377 3.285 20 0 CGADHM O=C(Nc1cncc(F)c1)c1cc([O-])c2ccccc2c1 ZINC000343791028 542502810 /nfs/dbraw/zinc/50/28/10/542502810.db2.gz DRJBCQWGJGRMMP-UHFFFAOYSA-N -1 3 282.274 3.332 20 0 CGADHM Cc1ccc(O)c(NC(=O)c2cc([O-])c3ccccc3c2)n1 ZINC000352111588 542552629 /nfs/dbraw/zinc/55/26/29/542552629.db2.gz MACXLFZPKQOJMG-UHFFFAOYSA-N -1 3 294.310 3.207 20 0 CGADHM C[C@@H]1CCCc2ncc(-c3nc(-c4ccc([O-])cc4)no3)n21 ZINC000351429069 542546733 /nfs/dbraw/zinc/54/67/33/542546733.db2.gz CAWADCCTEIQFCP-SNVBAGLBSA-N -1 3 296.330 3.203 20 0 CGADHM C[C@@H](NCc1ncccc1[O-])c1cccc(Cl)c1 ZINC000521317712 260043470 /nfs/dbraw/zinc/04/34/70/260043470.db2.gz UACFGEHDBXRBLA-SNVBAGLBSA-N -1 3 262.740 3.291 20 0 CGADHM COc1ccc(NC(=O)CC2(C(F)(F)F)CC2)c([O-])c1 ZINC000356824716 542573466 /nfs/dbraw/zinc/57/34/66/542573466.db2.gz BEVAOKLAANXWCK-UHFFFAOYSA-N -1 3 289.253 3.072 20 0 CGADHM CCCc1nnc([N-]C(=O)c2occc2C(C)C)s1 ZINC000283297071 195834858 /nfs/dbraw/zinc/83/48/58/195834858.db2.gz GCKHSTWUOZUPCP-UHFFFAOYSA-N -1 3 279.365 3.459 20 0 CGADHM COc1cccc(C(=O)N[C@H]2c3ccccc3C[C@H]2C)c1[O-] ZINC000436836352 533419163 /nfs/dbraw/zinc/41/91/63/533419163.db2.gz DBJYGVFAGIRXHR-BDJLRTHQSA-N -1 3 297.354 3.064 20 0 CGADHM COc1cc(C(=O)N(Cc2ccccc2)C(C)C)ccc1[O-] ZINC000357599797 533513490 /nfs/dbraw/zinc/51/34/90/533513490.db2.gz OSDOCBFPDFNFKE-UHFFFAOYSA-N -1 3 299.370 3.452 20 0 CGADHM Cc1ccc(C(=O)N[C@H](C)Cc2ccccc2F)c([O-])c1 ZINC000436674277 533588654 /nfs/dbraw/zinc/58/86/54/533588654.db2.gz RHWGIASUFBYLSI-GFCCVEGCSA-N -1 3 287.334 3.201 20 0 CGADHM O=C(N[C@H]1CCc2cc(Cl)ccc21)c1ccccc1[O-] ZINC000049351310 392044351 /nfs/dbraw/zinc/04/43/51/392044351.db2.gz RBZVSEDXYUVHSD-AWEZNQCLSA-N -1 3 287.746 3.463 20 0 CGADHM COc1ccc(NC(=O)c2ccc(C)cc2[O-])c(C)c1 ZINC000061568550 392127295 /nfs/dbraw/zinc/12/72/95/392127295.db2.gz YLAKLDYAIISUHX-UHFFFAOYSA-N -1 3 271.316 3.270 20 0 CGADHM Cc1ccc(NC(=O)c2cc(Cl)ccn2)c([O-])c1 ZINC000071033742 392187100 /nfs/dbraw/zinc/18/71/00/392187100.db2.gz KCXZGXIFWWNYJI-UHFFFAOYSA-N -1 3 262.696 3.001 20 0 CGADHM Cc1nnc([N-]C(=O)c2cc3cc(F)ccc3s2)s1 ZINC000072692031 392210629 /nfs/dbraw/zinc/21/06/29/392210629.db2.gz LYZFDASBFUENEA-UHFFFAOYSA-N -1 3 293.348 3.453 20 0 CGADHM CCNc1ccc(Cl)cc1C(=O)Nc1ncccc1[O-] ZINC000361669591 392291750 /nfs/dbraw/zinc/29/17/50/392291750.db2.gz CSWIKEICRZSFQY-UHFFFAOYSA-N -1 3 291.738 3.125 20 0 CGADHM CCCO[C@H]1CCCN(C(=O)c2cc(C)ccc2[O-])CC1 ZINC000108235083 392340697 /nfs/dbraw/zinc/34/06/97/392340697.db2.gz ICTCLTWSLORMGN-AWEZNQCLSA-N -1 3 291.391 3.122 20 0 CGADHM COc1ccc(NC(=O)[C@@H]2CCCC2(C)C)c([O-])c1 ZINC000443555221 542667401 /nfs/dbraw/zinc/66/74/01/542667401.db2.gz CTIRRWZQIIZHRS-NSHDSACASA-N -1 3 263.337 3.166 20 0 CGADHM CCc1cc(C(=O)N2CCC[C@H]2c2ccncc2)ccc1[O-] ZINC000291487894 392462058 /nfs/dbraw/zinc/46/20/58/392462058.db2.gz NRMXJKOJEYTPKQ-INIZCTEOSA-N -1 3 296.370 3.327 20 0 CGADHM O=C([O-])C1CCC(CNCc2ccc(Cl)cc2F)CC1 ZINC000162564739 392596927 /nfs/dbraw/zinc/59/69/27/392596927.db2.gz WFWKBOOAPJPCPQ-UHFFFAOYSA-N -1 3 299.773 3.460 20 0 CGADHM CC(C)CCCCC(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000457489709 392668452 /nfs/dbraw/zinc/66/84/52/392668452.db2.gz SOYSLSCSMBQFPG-UHFFFAOYSA-N -1 3 287.367 3.022 20 0 CGADHM CC(C)CCCCC(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000457489709 392668456 /nfs/dbraw/zinc/66/84/56/392668456.db2.gz SOYSLSCSMBQFPG-UHFFFAOYSA-N -1 3 287.367 3.022 20 0 CGADHM CC(C)CCCCC(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000457489709 392668461 /nfs/dbraw/zinc/66/84/61/392668461.db2.gz SOYSLSCSMBQFPG-UHFFFAOYSA-N -1 3 287.367 3.022 20 0 CGADHM CC[C@@H](NCc1ccc(-c2ccccc2F)o1)C(=O)[O-] ZINC000647466067 392728781 /nfs/dbraw/zinc/72/87/81/392728781.db2.gz NPSOLPQLLOLTBV-CYBMUJFWSA-N -1 3 277.295 3.039 20 0 CGADHM CC1(C(=O)[O-])CCN(C/C=C/c2ccc(F)c(F)c2)CC1 ZINC000647464475 392728806 /nfs/dbraw/zinc/72/88/06/392728806.db2.gz TVKAUZBGNOMSDW-NSCUHMNNSA-N -1 3 295.329 3.165 20 0 CGADHM Cc1noc([N-]C(=O)c2csc(C(F)(F)F)n2)c1C ZINC000335292102 392787751 /nfs/dbraw/zinc/78/77/51/392787751.db2.gz QILWRNYPVDUBDO-UHFFFAOYSA-N -1 3 291.254 3.019 20 0 CGADHM CC[C@@H](C)C(=O)Nc1nnc(-c2ccc3ccccc3n2)[n-]1 ZINC000647770581 392794772 /nfs/dbraw/zinc/79/47/72/392794772.db2.gz XBPVKNNGMRJIFC-SNVBAGLBSA-N -1 3 295.346 3.005 20 0 CGADHM CC[C@@H](C)C(=O)Nc1nc(-c2ccc3ccccc3n2)n[n-]1 ZINC000647770581 392794775 /nfs/dbraw/zinc/79/47/75/392794775.db2.gz XBPVKNNGMRJIFC-SNVBAGLBSA-N -1 3 295.346 3.005 20 0 CGADHM CC[C@@H](C)C(=O)Nc1n[n-]c(-c2ccc3ccccc3n2)n1 ZINC000647770581 392794778 /nfs/dbraw/zinc/79/47/78/392794778.db2.gz XBPVKNNGMRJIFC-SNVBAGLBSA-N -1 3 295.346 3.005 20 0 CGADHM O=C(CCCc1ccccc1)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000647799822 392801746 /nfs/dbraw/zinc/80/17/46/392801746.db2.gz JZOXFDISNGZBFD-UHFFFAOYSA-N -1 3 295.342 3.230 20 0 CGADHM O=c1[n-]c(-c2ccc3sccc3c2)nc2cccnc21 ZINC000491612622 542718197 /nfs/dbraw/zinc/71/81/97/542718197.db2.gz KRLZETQFWYRYEM-UHFFFAOYSA-N -1 3 279.324 3.200 20 0 CGADHM Cc1cc(Cl)cc(CN2CC[C@H](C(=O)[O-])[C@@H](C)C2)c1 ZINC000395105037 392940679 /nfs/dbraw/zinc/94/06/79/392940679.db2.gz KOSZBPQJRXKYTD-FZMZJTMJSA-N -1 3 281.783 3.191 20 0 CGADHM O=C(N[C@@H]1[C@@H]2CCC[C@@H]21)c1cc([O-])c2ccccc2c1 ZINC000527475176 542742614 /nfs/dbraw/zinc/74/26/14/542742614.db2.gz OROVOUIOCGVXPR-MIFYACCESA-N -1 3 267.328 3.074 20 0 CGADHM C[C@H]1CCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)[C@H]1C ZINC000408345979 392972064 /nfs/dbraw/zinc/97/20/64/392972064.db2.gz HHRFWUKJEXXHLO-QWRGUYRKSA-N -1 3 297.358 3.312 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])[C@@H]1CC2CCC1CC2 ZINC000343889006 393036104 /nfs/dbraw/zinc/03/61/04/393036104.db2.gz PFDJKNWGTQOKRV-RTYFJBAXSA-N -1 3 263.312 3.296 20 0 CGADHM CCC(CC)NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000468349811 393137579 /nfs/dbraw/zinc/13/75/79/393137579.db2.gz GHUQYGUNKLWMPA-UHFFFAOYSA-N -1 3 267.344 3.159 20 0 CGADHM CC(C)Oc1ccccc1CN1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000263309437 393150584 /nfs/dbraw/zinc/15/05/84/393150584.db2.gz HTVVRDODDRRWLZ-UKRRQHHQSA-N -1 3 291.391 3.016 20 0 CGADHM Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCC2)c([O-])c1 ZINC000648705961 393214926 /nfs/dbraw/zinc/21/49/26/393214926.db2.gz VZLXDVPUYCNMMO-OAHLLOKOSA-N -1 3 273.376 3.495 20 0 CGADHM CC(C)(CNCc1ccc(Cl)cc1F)CC(=O)[O-] ZINC000277172303 393304487 /nfs/dbraw/zinc/30/44/87/393304487.db2.gz DWAKDFJSSQXGCJ-UHFFFAOYSA-N -1 3 273.735 3.070 20 0 CGADHM CC(C)(C)[C@@H](CNCc1c(F)cccc1F)CC(=O)[O-] ZINC000277172022 393304676 /nfs/dbraw/zinc/30/46/76/393304676.db2.gz DTLSOGQDZRMKBM-SNVBAGLBSA-N -1 3 285.334 3.191 20 0 CGADHM O=C(Nc1ccccn1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000646585503 393307230 /nfs/dbraw/zinc/30/72/30/393307230.db2.gz HPDJABUZHBFYNZ-UHFFFAOYSA-N -1 3 282.221 3.058 20 0 CGADHM COc1ccccc1C1(NC(=O)c2ccc([O-])c(C)c2)CC1 ZINC000648993254 393310916 /nfs/dbraw/zinc/31/09/16/393310916.db2.gz LPISAUOGUFKVMR-UHFFFAOYSA-N -1 3 297.354 3.128 20 0 CGADHM Cc1ccc(CN(C(=O)c2csc(=O)[n-]2)C(C)C)s1 ZINC000471871528 393318139 /nfs/dbraw/zinc/31/81/39/393318139.db2.gz PYPXQFMARCSIDW-UHFFFAOYSA-N -1 3 296.417 3.269 20 0 CGADHM COC1(C(=O)Nc2cc(Cc3ccccc3)ccc2[O-])CC1 ZINC000648842194 393271439 /nfs/dbraw/zinc/27/14/39/393271439.db2.gz KNGMRKCFRXTUQD-UHFFFAOYSA-N -1 3 297.354 3.101 20 0 CGADHM CO[C@H](CC(C)C)C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000416178020 393275747 /nfs/dbraw/zinc/27/57/47/393275747.db2.gz JWBAZMBYLKFYDT-GFCCVEGCSA-N -1 3 285.771 3.354 20 0 CGADHM O=c1cc(CSCCCCCF)nc(C2CC2)[n-]1 ZINC000419483882 393391914 /nfs/dbraw/zinc/39/19/14/393391914.db2.gz BTNCEUKDXMRYND-UHFFFAOYSA-N -1 3 270.373 3.433 20 0 CGADHM Cc1ccc([O-])c(CNC2(c3cccc(F)c3)CCC2)n1 ZINC000647233456 393401651 /nfs/dbraw/zinc/40/16/51/393401651.db2.gz VBPYGHCJPFHYGG-UHFFFAOYSA-N -1 3 286.350 3.404 20 0 CGADHM Cc1cc(C(=O)N2CC[C@@H](C)c3cccc([O-])c32)ccn1 ZINC000279721682 393335897 /nfs/dbraw/zinc/33/58/97/393335897.db2.gz LNSZYWDGVZRNRH-LLVKDONJSA-N -1 3 282.343 3.250 20 0 CGADHM CC[C@@H](NC(=O)NCc1ccc([O-])c(F)c1)[C@@H]1CC1(C)C ZINC000416729308 393338661 /nfs/dbraw/zinc/33/86/61/393338661.db2.gz KWQDPLGJFXSXKR-WCQYABFASA-N -1 3 294.370 3.155 20 0 CGADHM CCc1ccc2nccc(N3CC[C@@H](C(=O)[O-])[C@@H](C)C3)c2c1 ZINC000649404882 393413146 /nfs/dbraw/zinc/41/31/46/393413146.db2.gz YKAADEFKHPYGQU-GXTWGEPZSA-N -1 3 298.386 3.344 20 0 CGADHM CC(C)(C)c1cnc(CNC[C@H](CC2CC2)C(=O)[O-])s1 ZINC000649511137 393462924 /nfs/dbraw/zinc/46/29/24/393462924.db2.gz YLEPZUGUICDBOQ-NSHDSACASA-N -1 3 296.436 3.031 20 0 CGADHM CC1([N-]S(=O)(=O)c2cc(F)ccc2Cl)CCCC1 ZINC000488695162 393546765 /nfs/dbraw/zinc/54/67/65/393546765.db2.gz CJBWNGFQBKNVHM-UHFFFAOYSA-N -1 3 291.775 3.090 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)CC2(C)CC2)c1[O-] ZINC000430284076 393558515 /nfs/dbraw/zinc/55/85/15/393558515.db2.gz KLBQHXDCPYYESC-UHFFFAOYSA-N -1 3 253.729 3.483 20 0 CGADHM O=C(Nc1ccc([O-])cc1F)c1cc(-c2ccccc2)on1 ZINC000360835542 393594469 /nfs/dbraw/zinc/59/44/69/393594469.db2.gz OUBMQURMAQWQFX-UHFFFAOYSA-N -1 3 298.273 3.439 20 0 CGADHM CC[C@H](C)C[C@H](C)[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000360876927 393603487 /nfs/dbraw/zinc/60/34/87/393603487.db2.gz DFWMPLLMUSDPNF-UWVGGRQHSA-N -1 3 291.363 3.068 20 0 CGADHM CC[C@@H](C)C[C@H](C)[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000360875577 393604121 /nfs/dbraw/zinc/60/41/21/393604121.db2.gz FXPYMPHKGLHPKV-ZJUUUORDSA-N -1 3 291.363 3.068 20 0 CGADHM CC(C)COc1ccccc1CN(C)CCCC(=O)[O-] ZINC000430666190 393584290 /nfs/dbraw/zinc/58/42/90/393584290.db2.gz YNBSHVNIKVHEQH-UHFFFAOYSA-N -1 3 279.380 3.018 20 0 CGADHM COC(=O)c1cnc(SCc2ccccc2SC)[n-]1 ZINC000432666272 393625794 /nfs/dbraw/zinc/62/57/94/393625794.db2.gz JPOWACLCRACSNO-UHFFFAOYSA-N -1 3 294.401 3.211 20 0 CGADHM CCC[C@H](C(=O)Nc1nnc(-c2ccc(C)o2)[n-]1)C(C)C ZINC000492459313 393738266 /nfs/dbraw/zinc/73/82/66/393738266.db2.gz WJHZLGGQUKXPCB-NSHDSACASA-N -1 3 290.367 3.384 20 0 CGADHM CCC[C@H](C(=O)Nc1nc(-c2ccc(C)o2)n[n-]1)C(C)C ZINC000492459313 393738267 /nfs/dbraw/zinc/73/82/67/393738267.db2.gz WJHZLGGQUKXPCB-NSHDSACASA-N -1 3 290.367 3.384 20 0 CGADHM CCC[C@H](C(=O)Nc1n[n-]c(-c2ccc(C)o2)n1)C(C)C ZINC000492459313 393738269 /nfs/dbraw/zinc/73/82/69/393738269.db2.gz WJHZLGGQUKXPCB-NSHDSACASA-N -1 3 290.367 3.384 20 0 CGADHM COc1cc(C(=O)NCC2(C)CCCCCC2)ccc1[O-] ZINC000443128196 393744878 /nfs/dbraw/zinc/74/48/78/393744878.db2.gz KAGYBHNTRPWBFZ-UHFFFAOYSA-N -1 3 291.391 3.491 20 0 CGADHM CCc1cccc(C)c1NC(=O)/C=C\c1cncc([O-])c1 ZINC000492518906 393748072 /nfs/dbraw/zinc/74/80/72/393748072.db2.gz IEJIOGDZOIVUSL-FPLPWBNLSA-N -1 3 282.343 3.310 20 0 CGADHM CCC[C@H]1[C@@H](C)CCCN1C(=O)c1ccc([O-])c(OC)c1 ZINC000443276980 393751162 /nfs/dbraw/zinc/75/11/62/393751162.db2.gz BDVDTXLLMBWFQD-JSGCOSHPSA-N -1 3 291.391 3.442 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)/C=C/c2ccncc2)c1[O-] ZINC000492304625 393717081 /nfs/dbraw/zinc/71/70/81/393717081.db2.gz PGWAIEOHAFWBIN-NSCUHMNNSA-N -1 3 288.734 3.401 20 0 CGADHM O=C([O-])CCCN1CCC[C@@H](Oc2ccccc2Cl)C1 ZINC000443637355 393767867 /nfs/dbraw/zinc/76/78/67/393767867.db2.gz FXOFWRYGHNJKSB-GFCCVEGCSA-N -1 3 297.782 3.048 20 0 CGADHM CC(C)C[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000443745267 393771901 /nfs/dbraw/zinc/77/19/01/393771901.db2.gz JCIYJAMLIWPYPJ-MRVPVSSYSA-N -1 3 281.830 3.114 20 0 CGADHM CCOc1cc(-c2noc(-c3ccccc3[O-])n2)ccc1O ZINC000445428233 393793006 /nfs/dbraw/zinc/79/30/06/393793006.db2.gz SYIWOSZFPNSAFA-UHFFFAOYSA-N -1 3 298.298 3.214 20 0 CGADHM CSc1cccnc1-c1noc(-c2ccccc2[O-])n1 ZINC000445612946 393810877 /nfs/dbraw/zinc/81/08/77/393810877.db2.gz LPKJYUOHDNYOGI-UHFFFAOYSA-N -1 3 285.328 3.226 20 0 CGADHM CCC(C)(CC)[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000500039495 393814396 /nfs/dbraw/zinc/81/43/96/393814396.db2.gz QIZNAWCLSSFGOT-UHFFFAOYSA-N -1 3 293.791 3.336 20 0 CGADHM CCCc1cc(C(=O)[N-]c2cc(F)c(OC)cc2F)no1 ZINC000450104063 393979142 /nfs/dbraw/zinc/97/91/42/393979142.db2.gz WTNBBWZUGADPIY-UHFFFAOYSA-N -1 3 296.273 3.166 20 0 CGADHM CC[C@@H](C)[C@@H](CN=c1[n-]cc(C(F)(F)F)s1)OC ZINC000450615335 394031481 /nfs/dbraw/zinc/03/14/81/394031481.db2.gz BVHATHMYVQFRBN-HTQZYQBOSA-N -1 3 282.331 3.057 20 0 CGADHM CCc1ccc(C(=O)NCCCc2ncccc2C)c([O-])c1 ZINC000452768859 394115718 /nfs/dbraw/zinc/11/57/18/394115718.db2.gz AYTHORCZVIHZNU-UHFFFAOYSA-N -1 3 298.386 3.021 20 0 CGADHM CC(C)CN(C(=O)Cc1cncc([O-])c1)c1ccccc1 ZINC000667494754 542877307 /nfs/dbraw/zinc/87/73/07/542877307.db2.gz KGFXJUZDGFXXJG-UHFFFAOYSA-N -1 3 284.359 3.019 20 0 CGADHM Cc1nc(-c2nc(=O)c3c(C)c(C)sc3[n-]2)cs1 ZINC000668142416 542974760 /nfs/dbraw/zinc/97/47/60/542974760.db2.gz CMOMMLKEFYWRAW-UHFFFAOYSA-N -1 3 277.374 3.446 20 0 CGADHM Cc1ccc(C(=O)N2Cc3ccccc3OC[C@@H]2C)c([O-])c1 ZINC000436738606 292070356 /nfs/dbraw/zinc/07/03/56/292070356.db2.gz TXVOEWIUIDJTME-ZDUSSCGKSA-N -1 3 297.354 3.124 20 0 CGADHM C[C@H](NC(=O)NCc1ccc([O-])c(F)c1)c1ccsc1 ZINC000669887110 543132256 /nfs/dbraw/zinc/13/22/56/543132256.db2.gz HBXUNLYZSUSPFP-VIFPVBQESA-N -1 3 294.351 3.153 20 0 CGADHM Cc1nccc(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])n1 ZINC000669746843 543124064 /nfs/dbraw/zinc/12/40/64/543124064.db2.gz SSZIQVDMIYNZQK-UHFFFAOYSA-N -1 3 285.347 3.040 20 0 CGADHM CC1(C)SC[C@@H]1[N-]c1nc(-c2ccccc2)no1 ZINC000669972784 543137993 /nfs/dbraw/zinc/13/79/93/543137993.db2.gz FNJTXDVTGBXKOA-JTQLQIEISA-N -1 3 261.350 3.043 20 0 CGADHM Cc1ccc(NC(=O)c2occ3c2CCC3)c([O-])c1 ZINC000671645237 543173957 /nfs/dbraw/zinc/17/39/57/543173957.db2.gz QMIUWHSXYRALLC-UHFFFAOYSA-N -1 3 257.289 3.035 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2cscc2Cl)n1 ZINC000672776475 543227584 /nfs/dbraw/zinc/22/75/84/543227584.db2.gz KVPTYNMMSQYCBQ-IHWYPQMZSA-N -1 3 252.726 3.376 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2cccc3cnccc23)n1 ZINC000672776481 543227664 /nfs/dbraw/zinc/22/76/64/543227664.db2.gz LXJSXKYZWPAJHL-AATRIKPKSA-N -1 3 263.300 3.209 20 0 CGADHM [O-]c1ccccc1-c1nc(Cc2ccccc2)no1 ZINC000040542160 397611201 /nfs/dbraw/zinc/61/12/01/397611201.db2.gz YYPDSPUGDQIDOX-UHFFFAOYSA-N -1 3 252.273 3.033 20 0 CGADHM CC(C)(C)[C@H]1CCCN(Cc2ccc(C(=O)[O-])cn2)CC1 ZINC000094762874 397641808 /nfs/dbraw/zinc/64/18/08/397641808.db2.gz BQLBJJLDPCFKHK-AWEZNQCLSA-N -1 3 290.407 3.428 20 0 CGADHM CSc1ccncc1[N-]C(=O)c1ccc(C(C)=O)s1 ZINC000674257211 543277977 /nfs/dbraw/zinc/27/79/77/543277977.db2.gz TYWOXUBVTASSNQ-UHFFFAOYSA-N -1 3 292.385 3.320 20 0 CGADHM C[C@H](C(=O)[O-])C1(NCc2csc(Cl)c2Cl)CC1 ZINC000649509786 397716010 /nfs/dbraw/zinc/71/60/10/397716010.db2.gz HAZGPDQWZWIQBX-ZCFIWIBFSA-N -1 3 294.203 3.398 20 0 CGADHM CC1(C)CC[C@@H](c2nc(-c3ccc4n[n-]nc4c3)no2)C1 ZINC000650603458 397879917 /nfs/dbraw/zinc/87/99/17/397879917.db2.gz MVMOFQNYJADXAO-SNVBAGLBSA-N -1 3 283.335 3.302 20 0 CGADHM CCc1cccc(Cl)c1CN(C)[C@@H](CC)C(=O)[O-] ZINC000650805620 397926878 /nfs/dbraw/zinc/92/68/78/397926878.db2.gz FUFYZQYJPXWSHZ-ZDUSSCGKSA-N -1 3 269.772 3.197 20 0 CGADHM COc1ccc([O-])c(C(=O)N2CC(C)(C)c3ccccc32)c1 ZINC000675114544 543315803 /nfs/dbraw/zinc/31/58/03/543315803.db2.gz YWXIKGKHAQTEKF-UHFFFAOYSA-N -1 3 297.354 3.339 20 0 CGADHM Cc1cc(C(=O)[N-]c2cnoc2)c(Br)s1 ZINC000675447103 543341368 /nfs/dbraw/zinc/34/13/68/543341368.db2.gz HIBZZLIWZIAGQL-UHFFFAOYSA-N -1 3 287.138 3.059 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CCCc3ccccc32)c1 ZINC000019839186 292162857 /nfs/dbraw/zinc/16/28/57/292162857.db2.gz DQSQEBABZMTPBY-UHFFFAOYSA-N -1 3 267.328 3.294 20 0 CGADHM Cc1ccc([O-])c(C(=O)NC2(Cc3ccccc3)CC2)c1 ZINC000479286942 292163993 /nfs/dbraw/zinc/16/39/93/292163993.db2.gz RTEGZXVWPYCQQK-UHFFFAOYSA-N -1 3 281.355 3.206 20 0 CGADHM O=C(Nc1ccccc1[O-])c1cc2ccsc2[nH]1 ZINC000677521125 543453681 /nfs/dbraw/zinc/45/36/81/543453681.db2.gz BVEWHOAOJSHZEE-UHFFFAOYSA-N -1 3 258.302 3.187 20 0 CGADHM Cc1ccc(CN(Cc2nc(C)ccc2[O-])C2CC2)o1 ZINC000678135508 543486960 /nfs/dbraw/zinc/48/69/60/543486960.db2.gz OSJGFAFSUDJKCX-UHFFFAOYSA-N -1 3 272.348 3.162 20 0 CGADHM Cc1ccc(C(=O)N[C@@H](C)c2cnccc2C)c([O-])c1C ZINC000678423466 543524773 /nfs/dbraw/zinc/52/47/73/543524773.db2.gz KZAYSVGEPRDLEC-ZDUSSCGKSA-N -1 3 284.359 3.203 20 0 CGADHM Cc1ccc2[n-]cc(C(=O)N3CCC[C@H](C)C3)c(=O)c2c1 ZINC000273284441 292394897 /nfs/dbraw/zinc/39/48/97/292394897.db2.gz QZUYOLJQMAJEGC-LBPRGKRZSA-N -1 3 284.359 3.121 20 0 CGADHM Cc1cccc(C(=O)N2Cc3ccccc3C[C@@H]2C)c1[O-] ZINC000172783008 292424482 /nfs/dbraw/zinc/42/44/82/292424482.db2.gz GSXUXXPLRROYGD-ZDUSSCGKSA-N -1 3 281.355 3.288 20 0 CGADHM COCc1ccccc1NC(=O)c1ccc(C)cc1[O-] ZINC000048189543 286902611 /nfs/dbraw/zinc/90/26/11/286902611.db2.gz UEPAWJYTQKYQSW-UHFFFAOYSA-N -1 3 271.316 3.099 20 0 CGADHM Cc1cc(-c2cc(O)ccc2[O-])nc2cc3c(cc12)OCO3 ZINC000060805600 286956328 /nfs/dbraw/zinc/95/63/28/286956328.db2.gz ISNABMSELUSYOE-UHFFFAOYSA-N -1 3 295.294 3.350 20 0 CGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)[C@@H](C)c1ccccc1 ZINC000080801692 287068571 /nfs/dbraw/zinc/06/85/71/287068571.db2.gz OJJIGEMBMFASIB-VXGBXAGGSA-N -1 3 295.429 3.219 20 0 CGADHM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)Nc1ccc([O-])cc1Cl ZINC000087217567 287084738 /nfs/dbraw/zinc/08/47/38/287084738.db2.gz XCOSLPQBKPDTKE-NMSKTSORSA-N -1 3 283.755 3.044 20 0 CGADHM C[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1[O-] ZINC000080446854 165153106 /nfs/dbraw/zinc/15/31/06/165153106.db2.gz HXFYDMYMHHMPAH-LBPRGKRZSA-N -1 3 255.317 3.210 20 0 CGADHM Cc1ccc(C(=O)N2CCC[C@@H]2c2cccc(C)n2)c([O-])c1 ZINC000092759292 165312949 /nfs/dbraw/zinc/31/29/49/165312949.db2.gz YZOWHGKOMHVTQW-MRXNPFEDSA-N -1 3 296.370 3.381 20 0 CGADHM C[C@@H]1CC(C(=O)Nc2cc(Cl)ccc2[O-])C[C@@H](C)O1 ZINC000093093489 287114670 /nfs/dbraw/zinc/11/46/70/287114670.db2.gz QRGMHNTXYNMJMF-RKDXNWHRSA-N -1 3 283.755 3.188 20 0 CGADHM COc1ccc([O-])c(-c2nc(-c3ccccc3OC)no2)c1 ZINC000109037281 287127643 /nfs/dbraw/zinc/12/76/43/287127643.db2.gz CMZNBONZARUCLO-UHFFFAOYSA-N -1 3 298.298 3.126 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CCCC[C@H]2C(C)C)c1 ZINC000117199424 287159150 /nfs/dbraw/zinc/15/91/50/287159150.db2.gz UDMMVZOWQNGHQR-AWEZNQCLSA-N -1 3 261.365 3.351 20 0 CGADHM COc1ccccc1CS[C@@H](C)c1nc(C)cc(=O)[n-]1 ZINC000120872330 287188657 /nfs/dbraw/zinc/18/86/57/287188657.db2.gz MNTNEEORTHOBKR-NSHDSACASA-N -1 3 290.388 3.494 20 0 CGADHM Cc1ccc(NC(=O)[C@H](C)COc2ccccc2)c([O-])c1 ZINC000121347494 287197241 /nfs/dbraw/zinc/19/72/41/287197241.db2.gz WDXKRXREAXDJNG-CYBMUJFWSA-N -1 3 285.343 3.354 20 0 CGADHM CCCc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000007052497 170264253 /nfs/dbraw/zinc/26/42/53/170264253.db2.gz HXMNYIMXJKZLJU-UHFFFAOYSA-N -1 3 275.373 3.440 20 0 CGADHM CCCc1nnc([N-]C(=O)c2ccc(F)cc2F)s1 ZINC000007981434 170311325 /nfs/dbraw/zinc/31/13/25/170311325.db2.gz DNFZZWMUYVHVGF-UHFFFAOYSA-N -1 3 283.303 3.021 20 0 CGADHM Cc1ccc(NC(=O)[C@H]2Cc3ccccc3S2)c([O-])c1 ZINC000010123585 170398191 /nfs/dbraw/zinc/39/81/91/170398191.db2.gz NFMMPBXUXRBWFM-OAHLLOKOSA-N -1 3 285.368 3.356 20 0 CGADHM Cc1ccc(C(=O)N(C)Cc2cccs2)c([O-])c1 ZINC000035122199 171992933 /nfs/dbraw/zinc/99/29/33/171992933.db2.gz TWKYLQVFVZMYJH-UHFFFAOYSA-N -1 3 261.346 3.034 20 0 CGADHM COCCCO[N-]C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000285565051 196327532 /nfs/dbraw/zinc/32/75/32/196327532.db2.gz HKPGDRLMSIXLKV-UHFFFAOYSA-N -1 3 293.150 3.083 20 0 CGADHM CC(C)N[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000037183245 173015840 /nfs/dbraw/zinc/01/58/40/173015840.db2.gz URSWMAWENWFBKB-SNVBAGLBSA-N -1 3 262.136 3.117 20 0 CGADHM CC(C)c1ncc(C(=O)Nc2ccccc2[O-])s1 ZINC000126917420 287276490 /nfs/dbraw/zinc/27/64/90/287276490.db2.gz HUBSPWDHYZECRU-UHFFFAOYSA-N -1 3 262.334 3.224 20 0 CGADHM COc1cc(/C=C/C(=O)Nc2ccccc2[O-])cc(OC)c1 ZINC000127506008 287289118 /nfs/dbraw/zinc/28/91/18/287289118.db2.gz KWHKQNXUQJLIIO-BQYQJAHWSA-N -1 3 299.326 3.061 20 0 CGADHM CC[C@H](NC(=O)c1cccc([O-])c1)c1cccs1 ZINC000049532398 175486393 /nfs/dbraw/zinc/48/63/93/175486393.db2.gz VCRSLIPHEKTPPZ-LBPRGKRZSA-N -1 3 261.346 3.335 20 0 CGADHM C[C@@H](C(=O)Nc1cccc([O-])c1F)n1cnc2ccccc21 ZINC000128341100 287309030 /nfs/dbraw/zinc/30/90/30/287309030.db2.gz MFRMSOFBKNUFEK-JTQLQIEISA-N -1 3 299.305 3.081 20 0 CGADHM CCc1nc([N-]C(=O)c2cc(C(C)C)no2)sc1C ZINC000070781366 176005687 /nfs/dbraw/zinc/00/56/87/176005687.db2.gz RJGVVFJFPZECGC-UHFFFAOYSA-N -1 3 279.365 3.378 20 0 CGADHM CCc1cc(C)c(C(=O)Nc2cccc([O-])c2F)o1 ZINC000128694663 287316225 /nfs/dbraw/zinc/31/62/25/287316225.db2.gz GOZYSQKMJYRCCW-UHFFFAOYSA-N -1 3 263.268 3.247 20 0 CGADHM CC(C)(CC(=O)[N-]OCCC(F)(F)F)c1ccccc1 ZINC000275032231 416524964 /nfs/dbraw/zinc/52/49/64/416524964.db2.gz CLVSUHNGOUHRNH-UHFFFAOYSA-N -1 3 289.297 3.355 20 0 CGADHM c1coc(-c2nnc([N-]Cc3nccc4ccccc43)o2)c1 ZINC000679118020 543592308 /nfs/dbraw/zinc/59/23/08/543592308.db2.gz WKKJDQGCPXSLFE-UHFFFAOYSA-N -1 3 292.298 3.490 20 0 CGADHM c1ccc2c(c1)ccnc2C[N-]c1nnc([C@H]2CCCO2)o1 ZINC000679120303 543592493 /nfs/dbraw/zinc/59/24/93/543592493.db2.gz GSSJZWDWGQIELG-CQSZACIVSA-N -1 3 296.330 3.081 20 0 CGADHM CCOCCC1(C(=O)Nc2cccc([O-])c2F)CCC1 ZINC000129615207 287336212 /nfs/dbraw/zinc/33/62/12/287336212.db2.gz IMLSKVCGDAKTCO-UHFFFAOYSA-N -1 3 281.327 3.067 20 0 CGADHM Cc1cc([N-]C(=O)c2c(F)c(F)cc(F)c2F)sn1 ZINC000130155099 287346325 /nfs/dbraw/zinc/34/63/25/287346325.db2.gz NHSZZRRCOMUXHQ-UHFFFAOYSA-N -1 3 290.241 3.260 20 0 CGADHM Cc1cccc(C(=O)N2C[C@H](C)c3ccccc32)c1[O-] ZINC000130059179 287343969 /nfs/dbraw/zinc/34/39/69/287343969.db2.gz FJAUCWHJQCXVBF-LBPRGKRZSA-N -1 3 267.328 3.465 20 0 CGADHM CCC[C@@H]1SCCN1C(=O)Cc1ccc([O-])cc1Cl ZINC000130288953 287350648 /nfs/dbraw/zinc/35/06/48/287350648.db2.gz QACDOWSSTUIZEB-AWEZNQCLSA-N -1 3 299.823 3.290 20 0 CGADHM CCc1cc([N-]C(=O)c2ccc(F)c(Cl)c2F)no1 ZINC000680648793 543722468 /nfs/dbraw/zinc/72/24/68/543722468.db2.gz HXBWELOCYNAQTJ-UHFFFAOYSA-N -1 3 286.665 3.421 20 0 CGADHM CCn1nc(C)cc1C(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000681088687 543764141 /nfs/dbraw/zinc/76/41/41/543764141.db2.gz HYHSDXLVSLVHNR-NSHDSACASA-N -1 3 299.374 3.071 20 0 CGADHM O=C([O-])c1ccccc1C1CCN(Cc2ccccn2)CC1 ZINC000682185016 543834827 /nfs/dbraw/zinc/83/48/27/543834827.db2.gz RAJNSWGXHAVSAZ-UHFFFAOYSA-N -1 3 296.370 3.159 20 0 CGADHM CCc1ccc(C(=O)Nc2c([O-])cccc2F)c(O)c1 ZINC000682517382 543849825 /nfs/dbraw/zinc/84/98/25/543849825.db2.gz VXYLDCUOMDTNLM-UHFFFAOYSA-N -1 3 275.279 3.052 20 0 CGADHM CCc1cccc(C(=O)Nc2cc(CO)c(C)cc2C)c1[O-] ZINC000682579266 543853396 /nfs/dbraw/zinc/85/33/96/543853396.db2.gz HHYBSKCGHSGHDN-UHFFFAOYSA-N -1 3 299.370 3.316 20 0 CGADHM C[C@H]1CN(Cc2ccc(F)cc2C(=O)[O-])CC[C@@H]1C ZINC000131565255 287383812 /nfs/dbraw/zinc/38/38/12/287383812.db2.gz PVYICJDVFCXNQU-QWRGUYRKSA-N -1 3 265.328 3.002 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N2CCC(C)=C(c3ccco3)C2)n1 ZINC000366969965 226014168 /nfs/dbraw/zinc/01/41/68/226014168.db2.gz OYTPZIZFYYAQEM-ZDUSSCGKSA-N -1 3 299.374 3.324 20 0 CGADHM CCCC[C@H](CC)C(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000684162630 543970438 /nfs/dbraw/zinc/97/04/38/543970438.db2.gz APUAEBJLIFKTRD-NSHDSACASA-N -1 3 287.367 3.022 20 0 CGADHM CCCC[C@H](CC)C(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000684162630 543970442 /nfs/dbraw/zinc/97/04/42/543970442.db2.gz APUAEBJLIFKTRD-NSHDSACASA-N -1 3 287.367 3.022 20 0 CGADHM CCCC[C@H](CC)C(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000684162630 543970445 /nfs/dbraw/zinc/97/04/45/543970445.db2.gz APUAEBJLIFKTRD-NSHDSACASA-N -1 3 287.367 3.022 20 0 CGADHM CC1(C)CN(C(=O)c2csc(=O)[n-]2)[C@H]1c1ccccc1 ZINC000684262036 543977126 /nfs/dbraw/zinc/97/71/26/543977126.db2.gz AMLICDSLJFXRCX-LBPRGKRZSA-N -1 3 288.372 3.072 20 0 CGADHM O=C([N-]c1ccncc1F)c1sccc1OC(F)F ZINC000132089434 287396630 /nfs/dbraw/zinc/39/66/30/287396630.db2.gz RZGCTYALWPDCCB-UHFFFAOYSA-N -1 3 288.250 3.136 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)N2CC[C@@H]2c2cccc(F)c2)n1 ZINC000684092774 543965722 /nfs/dbraw/zinc/96/57/22/543965722.db2.gz BCDSSONPCMTBPW-BXUZGUMPSA-N -1 3 287.338 3.138 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)N2CC[C@H]2c2cccc(F)c2)n1 ZINC000684092780 543965874 /nfs/dbraw/zinc/96/58/74/543965874.db2.gz BCDSSONPCMTBPW-RISCZKNCSA-N -1 3 287.338 3.138 20 0 CGADHM CC(C)(NC(=O)c1ccc2c(c1[O-])CCCC2)C(F)F ZINC000684342790 543982814 /nfs/dbraw/zinc/98/28/14/543982814.db2.gz QTVCCRQXFFUCAF-UHFFFAOYSA-N -1 3 283.318 3.045 20 0 CGADHM C[C@@H](NCc1ncccc1[O-])c1cccc(N2CCCC2)c1 ZINC000685425775 544068172 /nfs/dbraw/zinc/06/81/72/544068172.db2.gz DVTKXLFOZDFHTR-CQSZACIVSA-N -1 3 297.402 3.238 20 0 CGADHM COc1cccnc1NCc1cc([O-])cc(C(F)(F)F)c1 ZINC000685619756 544089910 /nfs/dbraw/zinc/08/99/10/544089910.db2.gz YAWZOKQAIQFREE-UHFFFAOYSA-N -1 3 298.264 3.427 20 0 CGADHM C[C@H]1COCCCN1Cc1cc([O-])cc(C(F)(F)F)c1 ZINC000685837745 544100154 /nfs/dbraw/zinc/10/01/54/544100154.db2.gz LXPHQKXYSZQJRG-JTQLQIEISA-N -1 3 289.297 3.022 20 0 CGADHM Cc1cccc(C(=O)N2C[C@H](C)CCC[C@H]2C)c1[O-] ZINC000134049541 287434524 /nfs/dbraw/zinc/43/45/24/287434524.db2.gz YQGJVWMEGJIOHF-DGCLKSJQSA-N -1 3 261.365 3.351 20 0 CGADHM CC[C@H]1CCCCCN1C(=O)c1cccc(OC)c1[O-] ZINC000134722775 287452242 /nfs/dbraw/zinc/45/22/42/287452242.db2.gz YNHYXORPIDEMFY-LBPRGKRZSA-N -1 3 277.364 3.196 20 0 CGADHM O=C([O-])[C@@H](c1ccsc1)N1Cc2ccccc2C2(CC2)C1 ZINC000652425667 418966204 /nfs/dbraw/zinc/96/62/04/418966204.db2.gz GDWKGBWDBWVSQI-OAHLLOKOSA-N -1 3 299.395 3.421 20 0 CGADHM CC[C@]1(C)CCN([C@@H](C)c2cc(C)c(C(=O)[O-])o2)C1 ZINC000652431819 418968180 /nfs/dbraw/zinc/96/81/80/418968180.db2.gz PJKKHVYQVGXIQZ-XHDPSFHLSA-N -1 3 265.353 3.469 20 0 CGADHM O=C([O-])CCN(Cc1sccc1Cl)CC1CC1 ZINC000652467370 418971231 /nfs/dbraw/zinc/97/12/31/418971231.db2.gz VHTDBUPQUAVPRS-UHFFFAOYSA-N -1 3 273.785 3.088 20 0 CGADHM CC/C=C/CCN1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000652469969 418973285 /nfs/dbraw/zinc/97/32/85/418973285.db2.gz KBJKHDIJVIGFLA-BWPKMQGJSA-N -1 3 259.349 3.027 20 0 CGADHM CC(C)(CNC(=O)Cc1cncc([O-])c1)C1CCCCC1 ZINC000655393534 419046008 /nfs/dbraw/zinc/04/60/08/419046008.db2.gz BEVXUQBDCMRDKS-UHFFFAOYSA-N -1 3 290.407 3.052 20 0 CGADHM CN(Cc1ccc(C(=O)[O-])o1)C[C@@H]1CCc2ccccc21 ZINC000659802965 418994503 /nfs/dbraw/zinc/99/45/03/418994503.db2.gz BBFPBXSXPKUHHJ-ZDUSSCGKSA-N -1 3 285.343 3.140 20 0 CGADHM O=C([O-])CCC1CCN(CCc2cccc(Cl)c2)CC1 ZINC000665343366 419113761 /nfs/dbraw/zinc/11/37/61/419113761.db2.gz GFZHXTZMRLQZFK-UHFFFAOYSA-N -1 3 295.810 3.459 20 0 CGADHM O=C([O-])[C@H](CNCc1c(F)cccc1Cl)C1CCC1 ZINC000665363075 419118935 /nfs/dbraw/zinc/11/89/35/419118935.db2.gz RQTCPUQSFBIEEQ-SNVBAGLBSA-N -1 3 285.746 3.070 20 0 CGADHM CCc1cc(C(=O)N2CC[C@@H](C3CCC3)C2)ccc1[O-] ZINC000666075079 419186463 /nfs/dbraw/zinc/18/64/63/419186463.db2.gz CDIQFTBPITUKTR-OAHLLOKOSA-N -1 3 273.376 3.217 20 0 CGADHM Cc1cc(=O)[n-]c(C(C)(C)NC/C=C\c2ccccc2)n1 ZINC000660748731 419189324 /nfs/dbraw/zinc/18/93/24/419189324.db2.gz ZZDVVMNZRFWJDC-YFHOEESVSA-N -1 3 283.375 3.029 20 0 CGADHM CC(C)(C)OCCCN1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]21 ZINC000656767511 419214029 /nfs/dbraw/zinc/21/40/29/419214029.db2.gz RZEMSWIYQBYWIB-KKUMJFAQSA-N -1 3 297.439 3.157 20 0 CGADHM Cc1cccc2c1CC[C@H]2NCc1cccc(C(=O)[O-])c1 ZINC000666574199 419226772 /nfs/dbraw/zinc/22/67/72/419226772.db2.gz CZCJVMYCZSAXRD-QGZVFWFLSA-N -1 3 281.355 3.470 20 0 CGADHM C[C@]1(F)CCN(Cc2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000356108849 228124030 /nfs/dbraw/zinc/12/40/30/228124030.db2.gz JTCXSIXFINCODX-LBPRGKRZSA-N -1 3 277.261 3.345 20 0 CGADHM O=C(c1cc([O-])ccc1C(F)(F)F)N1C[C@H]2CCCC[C@H]21 ZINC000365808694 304499879 /nfs/dbraw/zinc/49/98/79/304499879.db2.gz WGMCVYVYWBFFKC-NOZJJQNGSA-N -1 3 299.292 3.426 20 0 CGADHM Cc1cc([C@@H](C)NC(=O)c2ccc([O-])c(C)c2)c(C)o1 ZINC000226717350 287635668 /nfs/dbraw/zinc/63/56/68/287635668.db2.gz ODBSDXMHAGCZAT-LLVKDONJSA-N -1 3 273.332 3.401 20 0 CGADHM CSc1cc(C(=O)Nc2c(C)cccc2[O-])ccn1 ZINC000179562637 260055767 /nfs/dbraw/zinc/05/57/67/260055767.db2.gz VQVZEXPTQLKBDA-UHFFFAOYSA-N -1 3 274.345 3.070 20 0 CGADHM CCCCN(CCCC)C(=O)c1ccc(OC)cc1[O-] ZINC000020304334 262219156 /nfs/dbraw/zinc/21/91/56/262219156.db2.gz ZURAUHYIGGCFJM-UHFFFAOYSA-N -1 3 279.380 3.443 20 0 CGADHM COc1cc(-c2nc(-c3ccc([O-])cc3)no2)ccc1C ZINC000020432787 262249924 /nfs/dbraw/zinc/24/99/24/262249924.db2.gz UJOJGCBTHLIXCH-UHFFFAOYSA-N -1 3 282.299 3.426 20 0 CGADHM Cc1ccc(F)c(NC(=O)c2n[n-]nc2-c2ccccc2)c1 ZINC000188478182 262299411 /nfs/dbraw/zinc/29/94/11/262299411.db2.gz TYBLZTILWWYGSU-UHFFFAOYSA-N -1 3 296.305 3.172 20 0 CGADHM O=C([O-])c1cccc(CN2CCC[C@@H]2c2cccnc2)c1 ZINC000414642412 263019351 /nfs/dbraw/zinc/01/93/51/263019351.db2.gz VWGWXPCRZHFMNA-MRXNPFEDSA-N -1 3 282.343 3.117 20 0 CGADHM COc1cccc(C(=O)N[C@H](C)CCCC(C)C)c1[O-] ZINC000042272551 270031950 /nfs/dbraw/zinc/03/19/50/270031950.db2.gz KOLHCJNOCLUUNO-GFCCVEGCSA-N -1 3 279.380 3.345 20 0 CGADHM CC[C@H](CNC(=O)c1cccc([O-])c1)Oc1cccc(C)c1 ZINC000182564827 270054103 /nfs/dbraw/zinc/05/41/03/270054103.db2.gz YVFNUDWWGDUCPJ-MRXNPFEDSA-N -1 3 299.370 3.288 20 0 CGADHM COc1ccc(/C=C/C(=O)Nc2ccc(C)cc2[O-])cc1O ZINC000183306714 270055300 /nfs/dbraw/zinc/05/53/00/270055300.db2.gz MTYNFTCBXIIOIH-VMPITWQZSA-N -1 3 299.326 3.067 20 0 CGADHM CCN1C(=O)c2ccccc2N[C@H]1c1cc([O-])cc(F)c1 ZINC000184596539 270059029 /nfs/dbraw/zinc/05/90/29/270059029.db2.gz WFRDOVWXJKIVTA-OAHLLOKOSA-N -1 3 286.306 3.118 20 0 CGADHM CCc1ccccc1S(=O)(=O)[N-]c1ccc(C)cc1F ZINC000187179706 270067976 /nfs/dbraw/zinc/06/79/76/270067976.db2.gz FDNLUZOBICEPKM-UHFFFAOYSA-N -1 3 293.363 3.497 20 0 CGADHM Cc1cccc(C(=O)Nc2nnc(CC(C)C)s2)c1[O-] ZINC000219992071 270085644 /nfs/dbraw/zinc/08/56/44/270085644.db2.gz KHNVLSWDCCAJDQ-UHFFFAOYSA-N -1 3 291.376 3.003 20 0 CGADHM COc1cc(-c2noc(-c3ccc(C)cc3[O-])n2)ccc1O ZINC000315703578 270092493 /nfs/dbraw/zinc/09/24/93/270092493.db2.gz PHMHBGFLHZLWMU-UHFFFAOYSA-N -1 3 298.298 3.132 20 0 CGADHM CC(C)[C@H](C)C[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000523521755 270109588 /nfs/dbraw/zinc/10/95/88/270109588.db2.gz BDOWLAANTYUWBK-SECBINFHSA-N -1 3 293.791 3.050 20 0 CGADHM C[C@@H](C1CC1)N(C(=O)Cc1ccc([O-])cc1Cl)C1CC1 ZINC000357198970 266264176 /nfs/dbraw/zinc/26/41/76/266264176.db2.gz BJRGEMXDXNWTAJ-JTQLQIEISA-N -1 3 293.794 3.378 20 0 CGADHM COc1ccc([O-])c(C(=O)N[C@@H]2C[C@@H]2C2CCCCC2)c1 ZINC000525258719 270118490 /nfs/dbraw/zinc/11/84/90/270118490.db2.gz MWQUNONTYATSOW-UKRRQHHQSA-N -1 3 289.375 3.099 20 0 CGADHM CC1(C)CC(CNC(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000527064101 270124712 /nfs/dbraw/zinc/12/47/12/270124712.db2.gz UILPHPFWVVJBQE-UHFFFAOYSA-N -1 3 293.382 3.406 20 0 CGADHM CC[C@@H](C)N(C)C(=O)c1cc([O-])cc(Br)c1 ZINC000528324716 270161094 /nfs/dbraw/zinc/16/10/94/270161094.db2.gz BVJVXYLZXURUOY-MRVPVSSYSA-N -1 3 286.169 3.025 20 0 CGADHM C[C@H]1C[C@H](C)N(C(=O)c2cc([O-])cc(Br)c2)C1 ZINC000528640626 270169478 /nfs/dbraw/zinc/16/94/78/270169478.db2.gz MFYJNVSBESMNIP-IUCAKERBSA-N -1 3 298.180 3.025 20 0 CGADHM Cc1ccc2occ(CC(=O)[N-]OC3CCCC3)c2c1 ZINC000528963288 270176514 /nfs/dbraw/zinc/17/65/14/270176514.db2.gz CELRBRIQOLANAO-UHFFFAOYSA-N -1 3 273.332 3.274 20 0 CGADHM CC(=O)c1ccc(C(=O)NCC[C@@H]2CC=CCC2)cc1[O-] ZINC000529865883 270190226 /nfs/dbraw/zinc/19/02/26/270190226.db2.gz HKOOAOQCWGPTNX-CYBMUJFWSA-N -1 3 287.359 3.071 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)[C@H]2CC[C@H](C)C2)c1-c1ccc(C)cc1 ZINC000530275005 270198109 /nfs/dbraw/zinc/19/81/09/270198109.db2.gz YZZKXBDYAGEEGC-WFASDCNBSA-N -1 3 297.402 3.490 20 0 CGADHM CCC[C@H](C)C(=O)N=c1[nH][n-]c(C)c1-c1ccc(F)cc1 ZINC000530274186 270198116 /nfs/dbraw/zinc/19/81/16/270198116.db2.gz QMZNPCVSGUDOJI-JTQLQIEISA-N -1 3 289.354 3.321 20 0 CGADHM Cc1ncc(CN[C@@H]2CC[C@H](C)c3ccccc32)c(=O)[n-]1 ZINC000346800004 274856804 /nfs/dbraw/zinc/85/68/04/274856804.db2.gz QKIAVGALQNABFA-MEDUHNTESA-N -1 3 283.375 3.219 20 0 CGADHM CC[C@H]1Cc2ccccc2CN1C(=O)c1ccc(O)cc1[O-] ZINC000183836260 276670496 /nfs/dbraw/zinc/67/04/96/276670496.db2.gz JXLIUVMOFYRHLV-AWEZNQCLSA-N -1 3 297.354 3.075 20 0 CGADHM O=C(Nc1ccsc1Cl)c1cccc([O-])c1 ZINC000334491749 287947141 /nfs/dbraw/zinc/94/71/41/287947141.db2.gz SAHCFNQDERFBFN-UHFFFAOYSA-N -1 3 253.710 3.359 20 0 CGADHM COCc1nc(=O)c2c(C)c(-c3ccccc3)sc2[n-]1 ZINC000053844817 277272278 /nfs/dbraw/zinc/27/22/78/277272278.db2.gz OEPZPDRESWNWSG-UHFFFAOYSA-N -1 3 286.356 3.106 20 0 CGADHM COc1ccc(C(=O)N[C@@H]2C[C@@H]2C2CCCCC2)c([O-])c1 ZINC000436930802 277404358 /nfs/dbraw/zinc/40/43/58/277404358.db2.gz IODVBVKNBCXBFU-HUUCEWRRSA-N -1 3 289.375 3.099 20 0 CGADHM C[C@@H]1CCN(C(=O)CC2CCOCC2)c2c([O-])cccc21 ZINC000186283266 277737027 /nfs/dbraw/zinc/73/70/27/277737027.db2.gz ZGXORJACLRYDEQ-GFCCVEGCSA-N -1 3 289.375 3.049 20 0 CGADHM CC(C)c1csc2[n-]c(-c3ccco3)nc(=O)c12 ZINC000069980774 278068377 /nfs/dbraw/zinc/06/83/77/278068377.db2.gz RYKKODNFZWGASF-UHFFFAOYSA-N -1 3 260.318 3.368 20 0 CGADHM C[C@@H](C(=O)N1CC[C@H](C)c2cccc([O-])c21)c1cccnc1 ZINC000186320872 278196513 /nfs/dbraw/zinc/19/65/13/278196513.db2.gz FGAYWTRUFJVNOM-QWHCGFSZSA-N -1 3 296.370 3.431 20 0 CGADHM CC1(C)CN(C(=O)c2ccccc2[O-])[C@@H]1c1ccncc1 ZINC000293945395 278324946 /nfs/dbraw/zinc/32/49/46/278324946.db2.gz OQKPNRKSAVJZOK-OAHLLOKOSA-N -1 3 282.343 3.011 20 0 CGADHM CC[C@@H]1CN(C(=O)c2cc([O-])ccc2Cl)C[C@@H](CC)O1 ZINC000398763703 288047843 /nfs/dbraw/zinc/04/78/43/288047843.db2.gz FXVQPCHSAWUKPJ-VXGBXAGGSA-N -1 3 297.782 3.075 20 0 CGADHM C[C@@H]1CCN(C(=O)/C=C/c2ccncc2)c2c([O-])cccc21 ZINC000492597827 278527263 /nfs/dbraw/zinc/52/72/63/278527263.db2.gz SIMIJPSKGNGJSM-URWSZGRFSA-N -1 3 294.354 3.341 20 0 CGADHM C[C@H]1CCN(C(=O)/C=C\c2ccncc2)c2c([O-])cccc21 ZINC000492597826 279695035 /nfs/dbraw/zinc/69/50/35/279695035.db2.gz SIMIJPSKGNGJSM-SZZPACECSA-N -1 3 294.354 3.341 20 0 CGADHM C[C@H]1CCC[C@@H]1NC(=O)c1cc([O-])cc(Br)c1 ZINC000528429609 288199582 /nfs/dbraw/zinc/19/95/82/288199582.db2.gz ARJKMJUIZMZGMA-UFBFGSQYSA-N -1 3 298.180 3.073 20 0 CGADHM Cc1cc(C(=O)[N-]c2cc(Cl)cc(F)c2F)no1 ZINC000335374377 280366593 /nfs/dbraw/zinc/36/65/93/280366593.db2.gz HXZZDFAOZBYDDS-UHFFFAOYSA-N -1 3 272.638 3.167 20 0 CGADHM O=C(Nc1ncccc1[O-])[C@@H]1CC[C@@H]1c1ccc(F)cc1 ZINC000529008627 288228987 /nfs/dbraw/zinc/22/89/87/288228987.db2.gz LKYNMSWVHUWFHP-CHWSQXEVSA-N -1 3 286.306 3.059 20 0 CGADHM CC(C)[C@H]1N(C(=O)c2ccc(O)cc2[O-])CC12CCCC2 ZINC000334772759 280469849 /nfs/dbraw/zinc/46/98/49/280469849.db2.gz URUNCAUGDJZPCP-OAHLLOKOSA-N -1 3 289.375 3.139 20 0 CGADHM C[C@@H]1CC(F)(F)CCN1Cc1ccc(C(=O)[O-])cc1 ZINC000530172213 288292146 /nfs/dbraw/zinc/29/21/46/288292146.db2.gz FROZLGHLMHSKDJ-SNVBAGLBSA-N -1 3 269.291 3.004 20 0 CGADHM C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)N1Cc1ccc(F)cc1F ZINC000530180056 288296782 /nfs/dbraw/zinc/29/67/82/288296782.db2.gz QFSQOBMVMLMBEC-PEGIJTEDSA-N -1 3 283.318 3.038 20 0 CGADHM CC1(C)CN(C(=O)c2cccc([O-])c2)[C@@H]1c1ccncc1 ZINC000294046007 281222835 /nfs/dbraw/zinc/22/28/35/281222835.db2.gz VKZWTRYFUNTQQB-OAHLLOKOSA-N -1 3 282.343 3.011 20 0 CGADHM COc1ccc([O-])c(C(=O)N[C@H](C)[C@@H](C)c2ccccc2)c1 ZINC000530847956 288318076 /nfs/dbraw/zinc/31/80/76/288318076.db2.gz UZKMJBXAJMWXIZ-CHWSQXEVSA-N -1 3 299.370 3.323 20 0 CGADHM CCc1cccc(C(=O)N2CC[C@@H](CC(C)C)C2)c1[O-] ZINC000530957815 288320718 /nfs/dbraw/zinc/32/07/18/288320718.db2.gz RBHMYIIHIXIKSB-ZDUSSCGKSA-N -1 3 275.392 3.463 20 0 CGADHM CCc1cc(C(=O)N2C[C@@H](C)Oc3ccccc32)ccc1[O-] ZINC000486275329 281379252 /nfs/dbraw/zinc/37/92/52/281379252.db2.gz YTLJJZLFEDRCDZ-GFCCVEGCSA-N -1 3 297.354 3.382 20 0 CGADHM CCc1cccc(C(=O)N2CCc3ccc(F)cc3C2)c1[O-] ZINC000532464830 288362862 /nfs/dbraw/zinc/36/28/62/288362862.db2.gz OSHNEPJQVHYQHV-UHFFFAOYSA-N -1 3 299.345 3.292 20 0 CGADHM CCc1cccc(C(=O)N2CC[C@@H](C)C[C@H](C)C2)c1[O-] ZINC000533571048 288387899 /nfs/dbraw/zinc/38/78/99/288387899.db2.gz HXXDECCTTCIOSI-OLZOCXBDSA-N -1 3 275.392 3.463 20 0 CGADHM CCc1cccc(C(=O)N2CCc3c2cccc3F)c1[O-] ZINC000547313393 288955078 /nfs/dbraw/zinc/95/50/78/288955078.db2.gz GIQXNQQOTDEJIO-UHFFFAOYSA-N -1 3 285.318 3.297 20 0 CGADHM CCc1ccc([O-])c(C(=O)NCc2cc3ccccc3[nH]2)c1 ZINC000552383519 289184482 /nfs/dbraw/zinc/18/44/82/289184482.db2.gz BUKHENXDXKVEDM-UHFFFAOYSA-N -1 3 294.354 3.366 20 0 CGADHM CCc1cc(C(=O)N[C@H]2CCCC[C@@H]2C)ccc1[O-] ZINC000552830646 289199825 /nfs/dbraw/zinc/19/98/25/289199825.db2.gz ITNYVGMERBWHBF-FZMZJTMJSA-N -1 3 261.365 3.263 20 0 CGADHM O=C(N=c1cc2ccccn2[n-]1)[C@@H]1CCC[C@@H]2CCCC[C@H]12 ZINC000553320338 289219244 /nfs/dbraw/zinc/21/92/44/289219244.db2.gz AQWUQNLSUFKTQY-CWRNSKLLSA-N -1 3 297.402 3.301 20 0 CGADHM CC(C)(C)CC(C)(C)NC(=O)N=c1cc2ccccn2[n-]1 ZINC000554524612 289289748 /nfs/dbraw/zinc/28/97/48/289289748.db2.gz MCSKRXHIAGSIAA-UHFFFAOYSA-N -1 3 288.395 3.093 20 0 CGADHM Cc1ccc([C@H]2CCCCN2Cc2ncccc2[O-])o1 ZINC000554855629 289313991 /nfs/dbraw/zinc/31/39/91/289313991.db2.gz UWWBYGGINNVSNB-CQSZACIVSA-N -1 3 272.348 3.416 20 0 CGADHM Cc1nc(CNC[C@@H]2C(C)=CCC[C@H]2C)sc1C(=O)[O-] ZINC000555614437 289352707 /nfs/dbraw/zinc/35/27/07/289352707.db2.gz GKLTVDOAFCSWOK-ZYHUDNBSSA-N -1 3 294.420 3.232 20 0 CGADHM CCC[C@H](CC)S(=O)(=O)[N-]c1ccc(F)cc1OC ZINC000555906871 289364884 /nfs/dbraw/zinc/36/48/84/289364884.db2.gz DFKIPXRIGWCKLA-NSHDSACASA-N -1 3 289.372 3.155 20 0 CGADHM O=C(Nc1c([O-])cccc1Cl)[C@H]1CC=CCC1 ZINC000557182246 289434312 /nfs/dbraw/zinc/43/43/12/289434312.db2.gz MHWMQGPYRKGJDU-VIFPVBQESA-N -1 3 251.713 3.340 20 0 CGADHM CCc1cc(C(=O)N[C@@H](C)Cc2cccs2)ccc1[O-] ZINC000557596657 289449361 /nfs/dbraw/zinc/44/93/61/289449361.db2.gz UWCZSVALWPKXAO-NSHDSACASA-N -1 3 289.400 3.377 20 0 CGADHM Cc1nc(-c2nc(=O)c3c4c(sc3[n-]2)CCCC4)co1 ZINC000289822487 293146433 /nfs/dbraw/zinc/14/64/33/293146433.db2.gz CEMHUWRULCKRAT-UHFFFAOYSA-N -1 3 287.344 3.239 20 0 CGADHM O=S(=O)([N-][C@@H]1CCCCC12CCCC2)c1ccco1 ZINC000515335407 304761575 /nfs/dbraw/zinc/76/15/75/304761575.db2.gz VXISPEHGBPJVKP-GFCCVEGCSA-N -1 3 283.393 3.061 20 0 CGADHM Cc1cc(C(=O)Nc2cc(Cl)cc(C)c2[O-])cc(=O)[nH]1 ZINC000180887156 327807836 /nfs/dbraw/zinc/80/78/36/327807836.db2.gz AMXSFZVFGXWDMN-UHFFFAOYSA-N -1 3 292.722 3.015 20 0 CGADHM CCC[C@H](C)S(=O)(=O)[N-]c1cnn([C@@H](C)CC)c1C ZINC000582550188 329105982 /nfs/dbraw/zinc/10/59/82/329105982.db2.gz OWYLOEAHOYZZRM-QWRGUYRKSA-N -1 3 287.429 3.093 20 0 CGADHM CCc1c([N-]C(=O)[C@@](C)(CC)OC)onc1C(F)(F)F ZINC000582853688 329280317 /nfs/dbraw/zinc/28/03/17/329280317.db2.gz KHFQLIQPZGZMKX-LLVKDONJSA-N -1 3 294.273 3.009 20 0 CGADHM COc1ccc([O-])c(C(=O)Nc2cccc3ccncc32)c1 ZINC000316961729 321960653 /nfs/dbraw/zinc/96/06/53/321960653.db2.gz OJTPNSOGFQWSCQ-UHFFFAOYSA-N -1 3 294.310 3.201 20 0 CGADHM FC(F)(F)c1csc(=NC2CC(C(F)(F)F)C2)[n-]1 ZINC000563992858 322017676 /nfs/dbraw/zinc/01/76/76/322017676.db2.gz FKQXVCWAYSLEKW-UHFFFAOYSA-N -1 3 290.232 3.337 20 0 CGADHM c1ccc(-c2n[n-]nc2-c2nc(C3CCCC3)no2)cc1 ZINC000564222177 322023658 /nfs/dbraw/zinc/02/36/58/322023658.db2.gz WXWOKECZYJWCAY-UHFFFAOYSA-N -1 3 281.319 3.179 20 0 CGADHM Cc1cccc2c1CC[C@@H]2NC(=O)Cc1ccc([O-])c(F)c1 ZINC000564704763 322039780 /nfs/dbraw/zinc/03/97/80/322039780.db2.gz JXMONMLSZUNPHV-INIZCTEOSA-N -1 3 299.345 3.186 20 0 CGADHM CCC[C@H](C(=O)[O-])N(C)Cc1cc2ccccc2o1 ZINC000565104023 322060547 /nfs/dbraw/zinc/06/05/47/322060547.db2.gz IFQNUWOMTJLSGZ-CYBMUJFWSA-N -1 3 261.321 3.118 20 0 CGADHM Cc1cc([C@H](C)N2CC[C@@H](OCC(C)C)C2)oc1C(=O)[O-] ZINC000565426596 322077433 /nfs/dbraw/zinc/07/74/33/322077433.db2.gz LWOCSPUAHBFVLD-QWHCGFSZSA-N -1 3 295.379 3.094 20 0 CGADHM CSc1nnc(NC(=O)C[C@H](C)CCC=C(C)C)[n-]1 ZINC000565481930 322079386 /nfs/dbraw/zinc/07/93/86/322079386.db2.gz DKSTUCMKCRCCLD-SNVBAGLBSA-N -1 3 282.413 3.238 20 0 CGADHM CSc1n[n-]c(NC(=O)C[C@H](C)CCC=C(C)C)n1 ZINC000565481930 322079388 /nfs/dbraw/zinc/07/93/88/322079388.db2.gz DKSTUCMKCRCCLD-SNVBAGLBSA-N -1 3 282.413 3.238 20 0 CGADHM CSc1nc(NC(=O)C[C@H](C)CCC=C(C)C)n[n-]1 ZINC000565481930 322079390 /nfs/dbraw/zinc/07/93/90/322079390.db2.gz DKSTUCMKCRCCLD-SNVBAGLBSA-N -1 3 282.413 3.238 20 0 CGADHM C[C@@H](c1ccc(Cl)cc1)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000566219615 322110253 /nfs/dbraw/zinc/11/02/53/322110253.db2.gz GBXDZYDCFIIUAY-UHIISALHSA-N -1 3 281.783 3.444 20 0 CGADHM CC(=O)[C@@H]1C[C@H](C(=O)Nc2c([O-])cccc2Cl)C1(C)C ZINC000566631352 322132178 /nfs/dbraw/zinc/13/21/78/322132178.db2.gz WERVWXYVCCVTAS-VHSXEESVSA-N -1 3 295.766 3.235 20 0 CGADHM CCN(C(=O)Cc1ccc([O-])cc1Cl)[C@H](C)C(C)C ZINC000566646870 322133197 /nfs/dbraw/zinc/13/31/97/322133197.db2.gz VSXCWPLLJVNWAC-LLVKDONJSA-N -1 3 283.799 3.481 20 0 CGADHM C[C@H](CN(C)Cc1csc(C(=O)[O-])c1)c1nccs1 ZINC000566683328 322134568 /nfs/dbraw/zinc/13/45/68/322134568.db2.gz AAIQBIUAOWVMLY-SECBINFHSA-N -1 3 296.417 3.138 20 0 CGADHM CCc1cccc(C(=O)N2CCc3cc(C)ccc3C2)c1[O-] ZINC000567163133 322152856 /nfs/dbraw/zinc/15/28/56/322152856.db2.gz QDWQPPHQWDXIBA-UHFFFAOYSA-N -1 3 295.382 3.462 20 0 CGADHM Cc1cccc(CN[C@H](CC(=O)[O-])c2ccncc2)c1C ZINC000568257104 322201624 /nfs/dbraw/zinc/20/16/24/322201624.db2.gz BBUUMVZYMDQTNC-MRXNPFEDSA-N -1 3 284.359 3.004 20 0 CGADHM Cc1oc(CN2CC[C@@H](Cc3ccccc3)C2)cc1C(=O)[O-] ZINC000572007472 322315519 /nfs/dbraw/zinc/31/55/19/322315519.db2.gz KBJUURJRACQEML-HNNXBMFYSA-N -1 3 299.370 3.351 20 0 CGADHM CC(C)CN(C)Cc1c(Cl)cccc1C(=O)[O-] ZINC000572168907 322323559 /nfs/dbraw/zinc/32/35/59/322323559.db2.gz QCZVLNRLJFWJKE-UHFFFAOYSA-N -1 3 255.745 3.126 20 0 CGADHM CC(C)=CCC[C@@H](C)Cc1nc(-c2cc(=O)[n-]cn2)no1 ZINC000572242677 322326976 /nfs/dbraw/zinc/32/69/76/322326976.db2.gz XBWABROCNLACPH-LLVKDONJSA-N -1 3 288.351 3.157 20 0 CGADHM CC(C)N(Cc1ccccc1)Cc1ncccc1[O-] ZINC000572286419 322329494 /nfs/dbraw/zinc/32/94/94/322329494.db2.gz IXUNBINHCQVVFB-UHFFFAOYSA-N -1 3 256.349 3.198 20 0 CGADHM C[C@@H]1C[C@@H]1c1noc(-c2ccc3c(c2[O-])CCCC3)n1 ZINC000573737387 322403842 /nfs/dbraw/zinc/40/38/42/322403842.db2.gz NKIVSEBGVXPZDF-RNCFNFMXSA-N -1 3 270.332 3.444 20 0 CGADHM COc1ccc(O)c(C(=O)Nc2c([O-])cccc2Cl)c1 ZINC000584201314 327063470 /nfs/dbraw/zinc/06/34/70/327063470.db2.gz ODGISXDPMRXBGA-UHFFFAOYSA-N -1 3 293.706 3.012 20 0 CGADHM CC(=O)c1cccc(NC(=O)c2cc3c([nH]2)CCCC3)c1[O-] ZINC000583874156 329523677 /nfs/dbraw/zinc/52/36/77/329523677.db2.gz KGPLTMQJMQVXSF-UHFFFAOYSA-N -1 3 298.342 3.054 20 0 CGADHM CC(C)c1ccc(CNC(=O)c2ccc(O)cc2[O-])cc1 ZINC000220992519 333171720 /nfs/dbraw/zinc/17/17/20/333171720.db2.gz IBFXMICZRGDDEQ-UHFFFAOYSA-N -1 3 285.343 3.151 20 0 CGADHM CCOc1cccc(C(=O)Nc2cc(F)ccc2[O-])c1 ZINC000174877709 335168233 /nfs/dbraw/zinc/16/82/33/335168233.db2.gz QQBULBULZZXGEJ-UHFFFAOYSA-N -1 3 275.279 3.182 20 0 CGADHM Cc1ccc(C(=O)Nc2cc(F)ccc2[O-])cc1C ZINC000174875442 335168460 /nfs/dbraw/zinc/16/84/60/335168460.db2.gz QIOLUFZYXSFYCF-UHFFFAOYSA-N -1 3 259.280 3.400 20 0 CGADHM C[C@@H](NCc1nc(C2CCCCC2)cs1)[C@@H](C)C(=O)[O-] ZINC000576643390 335230001 /nfs/dbraw/zinc/23/00/01/335230001.db2.gz UBKPOHLMOVBXMF-GHMZBOCLSA-N -1 3 296.436 3.390 20 0 CGADHM O=C(C[C@@H]1CC[C@@H]2C[C@@H]21)Nc1c([O-])cccc1Cl ZINC000577123082 335304533 /nfs/dbraw/zinc/30/45/33/335304533.db2.gz BIJVLUVLLRMQON-UTLUCORTSA-N -1 3 265.740 3.420 20 0 CGADHM CN(Cc1ccc(C(=O)[O-])o1)CC1(c2ccccc2)CC1 ZINC000577642501 335384911 /nfs/dbraw/zinc/38/49/11/335384911.db2.gz JAFASZSBUCKZQJ-UHFFFAOYSA-N -1 3 285.343 3.141 20 0 CGADHM O=C(Nc1ncccc1[O-])c1ccc(Oc2ccccc2)o1 ZINC000178084942 335413048 /nfs/dbraw/zinc/41/30/48/335413048.db2.gz GZEIEEWPMDMUMS-UHFFFAOYSA-N -1 3 296.282 3.425 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])c1cc(-c2ccccc2)no1 ZINC000178328511 335426225 /nfs/dbraw/zinc/42/62/25/335426225.db2.gz SHCQISNQBUJWQE-UHFFFAOYSA-N -1 3 298.273 3.439 20 0 CGADHM COc1csc(C(=O)Nc2c(C)cccc2[O-])c1 ZINC000179542316 335499551 /nfs/dbraw/zinc/49/95/51/335499551.db2.gz SCJAYVQONCWEQU-UHFFFAOYSA-N -1 3 263.318 3.023 20 0 CGADHM CO[C@@H]1CCC[C@H](c2nc(-c3ccc([O-])cc3)no2)C1 ZINC000350564204 335514354 /nfs/dbraw/zinc/51/43/54/335514354.db2.gz FRPLEAUCQAWTNU-WCQYABFASA-N -1 3 274.320 3.115 20 0 CGADHM CO[C@@H](C)c1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000350587997 335517331 /nfs/dbraw/zinc/51/73/31/335517331.db2.gz UQUYJADDNBXFTR-VIFPVBQESA-N -1 3 270.288 3.303 20 0 CGADHM Cc1ccccc1[C@@H]1CCCN1C(=O)Cc1cncc([O-])c1 ZINC000580825308 335970911 /nfs/dbraw/zinc/97/09/11/335970911.db2.gz XJRIXRDXPRPFOM-KRWDZBQOSA-N -1 3 296.370 3.002 20 0 CGADHM O=C(Nc1ccccc1[O-])c1cccc2c1CCC2 ZINC000194367062 336018701 /nfs/dbraw/zinc/01/87/01/336018701.db2.gz ULXDBOXRUVJBBB-UHFFFAOYSA-N -1 3 253.301 3.133 20 0 CGADHM [O-]c1cccnc1CSc1ncccc1Cl ZINC000581348601 336056434 /nfs/dbraw/zinc/05/64/34/336056434.db2.gz ZJQJMMAOAHEEGK-UHFFFAOYSA-N -1 3 252.726 3.128 20 0 CGADHM C[C@H]1CCCCN1Cc1cccc(C(=O)[O-])c1Cl ZINC000381883549 336075577 /nfs/dbraw/zinc/07/55/77/336075577.db2.gz KODJWUSRWFZWRY-JTQLQIEISA-N -1 3 267.756 3.413 20 0 CGADHM Cc1cc([C@H](C)N2CCS[C@@H](C(C)C)C2)oc1C(=O)[O-] ZINC000581948956 336175119 /nfs/dbraw/zinc/17/51/19/336175119.db2.gz IIMHRGWOBUTKPD-WCQYABFASA-N -1 3 297.420 3.421 20 0 CGADHM CN(C(=O)Cc1cncc([O-])c1)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000581953916 336178775 /nfs/dbraw/zinc/17/87/75/336178775.db2.gz CGMJEJBCAIYNMG-GJZGRUSLSA-N -1 3 290.407 3.003 20 0 CGADHM C[C@H](CC(C)(C)NCc1csc(C(C)(C)C)n1)C(=O)[O-] ZINC000417638226 533724683 /nfs/dbraw/zinc/72/46/83/533724683.db2.gz OPSUPZMERYBTDJ-SNVBAGLBSA-N -1 3 298.452 3.420 20 0 CGADHM CSC[C@H]1CCCN1C(=O)c1ccc(C(C)C)cc1[O-] ZINC000436594907 533814307 /nfs/dbraw/zinc/81/43/07/533814307.db2.gz KHIFMHNGWQINPQ-CYBMUJFWSA-N -1 3 293.432 3.483 20 0 CGADHM CS[C@@H](CNC(=O)c1cc(C)ccc1[O-])C(C)(C)C ZINC000436839738 533925357 /nfs/dbraw/zinc/92/53/57/533925357.db2.gz VHTOTEYMSCDPFW-ZDUSSCGKSA-N -1 3 281.421 3.208 20 0 CGADHM Cc1cc(C(=O)NC2(C)CCC(C)CC2)ccc1[O-] ZINC000436928922 534053712 /nfs/dbraw/zinc/05/37/12/534053712.db2.gz SNACZAMEZSTEGK-UHFFFAOYSA-N -1 3 261.365 3.399 20 0 CGADHM C[C@@H]1Cc2ccccc2[C@H]1NC(=O)c1ccccc1[O-] ZINC000436721789 534087104 /nfs/dbraw/zinc/08/71/04/534087104.db2.gz XZTNYJOTZUICKY-BZNIZROVSA-N -1 3 267.328 3.056 20 0 CGADHM CS[C@H]1CCC[C@H](NC(=O)c2ccc(C)c(C)c2[O-])C1 ZINC000436543341 534095437 /nfs/dbraw/zinc/09/54/37/534095437.db2.gz DXOCVUJBSDWRQR-STQMWFEESA-N -1 3 293.432 3.413 20 0 CGADHM Cc1cc(C)nc([N-]C(=O)c2cc(-c3ccccc3)no2)n1 ZINC000358405041 534138593 /nfs/dbraw/zinc/13/85/93/534138593.db2.gz CCUBHZUTKFGSIE-UHFFFAOYSA-N -1 3 294.314 3.001 20 0 CGADHM O=C(CCc1cccnc1)Nc1ccc(Cl)cc1[O-] ZINC000153582612 518198397 /nfs/dbraw/zinc/19/83/97/518198397.db2.gz ZZWPZXWYBIQQCZ-UHFFFAOYSA-N -1 3 276.723 3.012 20 0 CGADHM Cc1ccc2c(CCNC(=O)c3ccccc3[O-])c[nH]c2c1 ZINC000436542026 534390268 /nfs/dbraw/zinc/39/02/68/534390268.db2.gz BWQDCPKBNKPMQT-UHFFFAOYSA-N -1 3 294.354 3.154 20 0 CGADHM Cc1nc(Cc2noc(/C=C/c3cccc([O-])c3)n2)cs1 ZINC000435951437 534422727 /nfs/dbraw/zinc/42/27/27/534422727.db2.gz ZPMTUIZVEMOVFH-AATRIKPKSA-N -1 3 299.355 3.301 20 0 CGADHM [O-]c1cc2ccccc2cc1-c1nc(Cc2ccon2)no1 ZINC000436926820 534447209 /nfs/dbraw/zinc/44/72/09/534447209.db2.gz LBSYFGVMEKBJOL-UHFFFAOYSA-N -1 3 293.282 3.174 20 0 CGADHM Cc1cccc(C(=O)N(C)[C@H]2CCCC[C@H]2C)c1[O-] ZINC000055482096 524165218 /nfs/dbraw/zinc/16/52/18/524165218.db2.gz DSNKEARZTYUDJW-RISCZKNCSA-N -1 3 261.365 3.351 20 0 CGADHM COc1ccc(Cl)cc1C[S@@](=O)c1ccc([O-])cc1 ZINC000108084223 524213190 /nfs/dbraw/zinc/21/31/90/524213190.db2.gz FPKGVDLIRCXSAM-IBGZPJMESA-N -1 3 296.775 3.362 20 0 CGADHM C[C@@H]1CN(C(=O)c2ccccc2[O-])[C@H]2CCCC[C@H]12 ZINC000183774695 524876688 /nfs/dbraw/zinc/87/66/88/524876688.db2.gz ZPQQARLNRCHFJN-BZPMIXESSA-N -1 3 259.349 3.043 20 0 CGADHM O=C(NCCC1=CCCCCC1)c1ccc(O)cc1[O-] ZINC000436694187 534826400 /nfs/dbraw/zinc/82/64/00/534826400.db2.gz HBPJKGNNNKHPTH-UHFFFAOYSA-N -1 3 275.348 3.108 20 0 CGADHM CC(C)(C)c1ccncc1CNC(=O)c1ccccc1[O-] ZINC000412558261 526811406 /nfs/dbraw/zinc/81/14/06/526811406.db2.gz JCJSNDUXIYCWKL-UHFFFAOYSA-N -1 3 284.359 3.015 20 0 CGADHM CC(C)(C)CSCc1cc(=O)[n-]c(C2CC2)n1 ZINC000413008429 527690747 /nfs/dbraw/zinc/69/07/47/527690747.db2.gz XMZFTBOAVCSERN-UHFFFAOYSA-N -1 3 252.383 3.339 20 0 CGADHM CCC[C@@H]1CCCN([C@@H](C)c2nc(C)cc(=O)[n-]2)C1 ZINC000192620506 527752335 /nfs/dbraw/zinc/75/23/35/527752335.db2.gz OUYXMYFVUUKWDM-QWHCGFSZSA-N -1 3 263.385 3.064 20 0 CGADHM CCN(C)c1ccc(C=Cc2cc(=O)[n-]c(C3CC3)n2)cn1 ZINC000414068777 527865572 /nfs/dbraw/zinc/86/55/72/527865572.db2.gz ISEOUIPDIXMDIU-YWEYNIOJSA-N -1 3 296.374 3.081 20 0 CGADHM CC(C)c1ccc(C(=O)N[C@H](C)c2cccnc2)c([O-])c1 ZINC000436930609 528078297 /nfs/dbraw/zinc/07/82/97/528078297.db2.gz YQTUDCRYFDABBX-GFCCVEGCSA-N -1 3 284.359 3.402 20 0 CGADHM CC(C)c1ccc(C(=O)Nc2cc(F)ccc2[O-])nc1 ZINC000436980689 528080267 /nfs/dbraw/zinc/08/02/67/528080267.db2.gz RBMBVSCAEPWZQJ-UHFFFAOYSA-N -1 3 274.295 3.302 20 0 CGADHM CC1=C[C@@H](C)CN(C(=O)c2cc3c(cc2[O-])CCCC3)C1 ZINC000436997200 528128838 /nfs/dbraw/zinc/12/88/38/528128838.db2.gz FWOYIBKCNRVWND-GFCCVEGCSA-N -1 3 285.387 3.309 20 0 CGADHM CCC[C@H](Cc1ccccc1)NC(=O)c1ccc(O)cc1[O-] ZINC000436533146 528160850 /nfs/dbraw/zinc/16/08/50/528160850.db2.gz UKIYTGYCYZPOBV-CQSZACIVSA-N -1 3 299.370 3.239 20 0 CGADHM CCCC[C@@H]1CCC[C@H]1NC(=O)c1ccc(O)cc1[O-] ZINC000436535397 528873697 /nfs/dbraw/zinc/87/36/97/528873697.db2.gz ZUJFLQNIZICUNW-BXUZGUMPSA-N -1 3 277.364 3.187 20 0 CGADHM CCOCc1ccc(NC(=O)c2ccc(C)cc2[O-])cc1 ZINC000436572990 529052943 /nfs/dbraw/zinc/05/29/43/529052943.db2.gz GKRVLCRYXLLXRE-UHFFFAOYSA-N -1 3 285.343 3.489 20 0 CGADHM CCC1(CC)CN(C(=O)c2ccc(C)cc2[O-])CCS1 ZINC000436803449 529075688 /nfs/dbraw/zinc/07/56/88/529075688.db2.gz KNSAVGFKPDQLGV-UHFFFAOYSA-N -1 3 293.432 3.448 20 0 CGADHM CC[C@H](C)NC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436979248 529177208 /nfs/dbraw/zinc/17/72/08/529177208.db2.gz KGLQCONTMHKLQJ-ZDUSSCGKSA-N -1 3 299.370 3.500 20 0 CGADHM CC[C@H]1CC[C@H](C)N1C(=O)Cc1ccc([O-])cc1Cl ZINC000357974352 529253573 /nfs/dbraw/zinc/25/35/73/529253573.db2.gz NHEXJSOFULPAFQ-JQWIXIFHSA-N -1 3 281.783 3.378 20 0 CGADHM CCCCn1c(=O)[n-]nc1SC[C@H]1CCCC1(F)F ZINC000450712577 535137601 /nfs/dbraw/zinc/13/76/01/535137601.db2.gz WAUCFMVJPRJTAY-SECBINFHSA-N -1 3 291.367 3.311 20 0 CGADHM CCc1cc(C(=O)N2CC[C@@H](C)C[C@H](C)C2)ccc1[O-] ZINC000486912893 536112339 /nfs/dbraw/zinc/11/23/39/536112339.db2.gz KSSRHQLLFSTBLS-OLZOCXBDSA-N -1 3 275.392 3.463 20 0 CGADHM COc1cccc(-c2nc(Cc3ccccc3C)no2)c1[O-] ZINC000315476889 537069122 /nfs/dbraw/zinc/06/91/22/537069122.db2.gz AIVRENYVPXUOJC-UHFFFAOYSA-N -1 3 296.326 3.350 20 0 CGADHM C/C(=C/C(=O)Nc1ncccc1[O-])c1ccccc1Cl ZINC000727483418 571750823 /nfs/dbraw/zinc/75/08/23/571750823.db2.gz QDEQRWHKTYDPHT-KTKRTIGZSA-N -1 3 288.734 3.483 20 0 CGADHM C[C@H]1CSC[C@H]1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000335896685 571771267 /nfs/dbraw/zinc/77/12/67/571771267.db2.gz VVRONFPVINGAPW-IINYFYTJSA-N -1 3 287.384 3.027 20 0 CGADHM CCC[C@@H]([N-]C(=O)C(F)(F)F)C1CCCCC1 ZINC000729373039 571902588 /nfs/dbraw/zinc/90/25/88/571902588.db2.gz DHHDPVZMQHFEEO-SNVBAGLBSA-N -1 3 251.292 3.414 20 0 CGADHM O=C(Nc1cccc(-n2cccn2)c1)c1cc2occc2[n-]1 ZINC000750846214 572329787 /nfs/dbraw/zinc/32/97/87/572329787.db2.gz VZLBLFIEJYGCOY-UHFFFAOYSA-N -1 3 292.298 3.199 20 0 CGADHM COC(=O)c1cc(NC(=O)c2cc3occc3[n-]2)ccc1C ZINC000750901387 572333484 /nfs/dbraw/zinc/33/34/84/572333484.db2.gz XZVLNCZLFDLWOL-UHFFFAOYSA-N -1 3 298.298 3.108 20 0 CGADHM Cc1ccc2oc(Oc3ccccc3-c3nnn[n-]3)nc2c1 ZINC000737381526 572339504 /nfs/dbraw/zinc/33/95/04/572339504.db2.gz YQHUBPWVDYIJBA-UHFFFAOYSA-N -1 3 293.286 3.109 20 0 CGADHM Cc1ccc2oc(Oc3ccccc3-c3nn[n-]n3)nc2c1 ZINC000737381526 572339505 /nfs/dbraw/zinc/33/95/05/572339505.db2.gz YQHUBPWVDYIJBA-UHFFFAOYSA-N -1 3 293.286 3.109 20 0 CGADHM Cc1cccc([C@@H](C)Nc2ccc(-c3nnn[n-]3)cn2)c1C ZINC000737391196 572339537 /nfs/dbraw/zinc/33/95/37/572339537.db2.gz XLIPLCPSDBHZQY-GFCCVEGCSA-N -1 3 294.362 3.052 20 0 CGADHM Cc1cccc([C@@H](C)Nc2ccc(-c3nn[n-]n3)cn2)c1C ZINC000737391196 572339538 /nfs/dbraw/zinc/33/95/38/572339538.db2.gz XLIPLCPSDBHZQY-GFCCVEGCSA-N -1 3 294.362 3.052 20 0 CGADHM Clc1ccccc1NCc1ccc(-c2nnn[n-]2)cc1 ZINC000737583855 572349411 /nfs/dbraw/zinc/34/94/11/572349411.db2.gz MHYSOQFAQZGYLB-UHFFFAOYSA-N -1 3 285.738 3.132 20 0 CGADHM Clc1ccccc1NCc1ccc(-c2nn[n-]n2)cc1 ZINC000737583855 572349415 /nfs/dbraw/zinc/34/94/15/572349415.db2.gz MHYSOQFAQZGYLB-UHFFFAOYSA-N -1 3 285.738 3.132 20 0 CGADHM c1cc(N2CCCC3(CCCCC3)C2)ccc1-c1nnn[n-]1 ZINC000738412663 572374114 /nfs/dbraw/zinc/37/41/14/572374114.db2.gz FMBLLRJXHCINMT-UHFFFAOYSA-N -1 3 297.406 3.417 20 0 CGADHM c1cc(N2CCCC3(CCCCC3)C2)ccc1-c1nn[n-]n1 ZINC000738412663 572374117 /nfs/dbraw/zinc/37/41/17/572374117.db2.gz FMBLLRJXHCINMT-UHFFFAOYSA-N -1 3 297.406 3.417 20 0 CGADHM Cc1cccc(CN(CCCC(=O)[O-])Cc2ccco2)c1 ZINC000738707865 572389205 /nfs/dbraw/zinc/38/92/05/572389205.db2.gz HAKFSTUUKPAHQF-UHFFFAOYSA-N -1 3 287.359 3.455 20 0 CGADHM C[C@@H](c1ccc2ccccc2c1)N1CC[C@H](NC(=O)[O-])C1 ZINC000739055536 572400497 /nfs/dbraw/zinc/40/04/97/572400497.db2.gz FRLGQQSLCZSTJB-LRDDRELGSA-N -1 3 284.359 3.243 20 0 CGADHM CN(C)Cc1ccc(-c2ccccc2CNC(=O)[O-])cc1 ZINC000739609465 572420065 /nfs/dbraw/zinc/42/00/65/572420065.db2.gz FIGFMMIWYMVORP-UHFFFAOYSA-N -1 3 284.359 3.183 20 0 CGADHM Cc1ccc(-c2nc(CO[N-]C(=O)C(C)(C)C)co2)cc1 ZINC000732805780 572484303 /nfs/dbraw/zinc/48/43/03/572484303.db2.gz JAHMXGVQXQXJQP-UHFFFAOYSA-N -1 3 288.347 3.244 20 0 CGADHM CC[C@H](c1ccc(F)cc1)N1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000739279517 572540905 /nfs/dbraw/zinc/54/09/05/572540905.db2.gz RPHQZEBEYCEJNO-BYCMXARLSA-N -1 3 294.370 3.255 20 0 CGADHM CC[C@@H](c1ccc(Cl)cc1)N1CC[C@H](CNC(=O)[O-])C1 ZINC000739279694 572540924 /nfs/dbraw/zinc/54/09/24/572540924.db2.gz SEVPIPQPQYUNBI-RISCZKNCSA-N -1 3 296.798 3.381 20 0 CGADHM COc1ccc(CNCc2ccc([O-])c(Cl)c2)cc1O ZINC000733327158 572556365 /nfs/dbraw/zinc/55/63/65/572556365.db2.gz MQMVVASOZWXMOG-UHFFFAOYSA-N -1 3 293.750 3.050 20 0 CGADHM CC(C)n1ccc(COC(=O)c2ccc(Cl)cc2[O-])n1 ZINC000735123623 572701383 /nfs/dbraw/zinc/70/13/83/572701383.db2.gz GBJMKTUKFRSPCV-UHFFFAOYSA-N -1 3 294.738 3.180 20 0 CGADHM C[C@H]1CCC[C@H]1Nc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000736261610 572778384 /nfs/dbraw/zinc/77/83/84/572778384.db2.gz KZSOCDVZKZKXJB-GXFFZTMASA-N -1 3 294.362 3.015 20 0 CGADHM C[C@H]1CCC[C@H]1Nc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000736261610 572778388 /nfs/dbraw/zinc/77/83/88/572778388.db2.gz KZSOCDVZKZKXJB-GXFFZTMASA-N -1 3 294.362 3.015 20 0 CGADHM CC[C@H](Nc1ccc(-c2nnn[n-]2)cn1)C1CCCCC1 ZINC000736367442 572784571 /nfs/dbraw/zinc/78/45/71/572784571.db2.gz ATUQLQBACAUERK-ZDUSSCGKSA-N -1 3 286.383 3.033 20 0 CGADHM CC[C@H](Nc1ccc(-c2nn[n-]n2)cn1)C1CCCCC1 ZINC000736367442 572784574 /nfs/dbraw/zinc/78/45/74/572784574.db2.gz ATUQLQBACAUERK-ZDUSSCGKSA-N -1 3 286.383 3.033 20 0 CGADHM CC[C@@H]1CCCN(c2ccc(Cl)cc2-c2nnn[n-]2)C1 ZINC000736401218 572787497 /nfs/dbraw/zinc/78/74/97/572787497.db2.gz GUTSMCNJZRPPBG-SNVBAGLBSA-N -1 3 291.786 3.147 20 0 CGADHM CC[C@@H]1CCCN(c2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC000736401218 572787499 /nfs/dbraw/zinc/78/74/99/572787499.db2.gz GUTSMCNJZRPPBG-SNVBAGLBSA-N -1 3 291.786 3.147 20 0 CGADHM CN(c1cccc(Cl)c1-c1nnn[n-]1)C1CCCCC1 ZINC000736841318 572820927 /nfs/dbraw/zinc/82/09/27/572820927.db2.gz DZWHUTQUGZZISP-UHFFFAOYSA-N -1 3 291.786 3.289 20 0 CGADHM CN(c1cccc(Cl)c1-c1nn[n-]n1)C1CCCCC1 ZINC000736841318 572820928 /nfs/dbraw/zinc/82/09/28/572820928.db2.gz DZWHUTQUGZZISP-UHFFFAOYSA-N -1 3 291.786 3.289 20 0 CGADHM COc1cccc(CN[C@@H](C)CCC[C@H](C)C(=O)[O-])c1F ZINC000166025099 572834451 /nfs/dbraw/zinc/83/44/51/572834451.db2.gz FWUAERAKCPPYFX-RYUDHWBXSA-N -1 3 297.370 3.203 20 0 CGADHM O=C([N-]c1ncc(Cl)s1)c1scnc1Cl ZINC000748342803 572974592 /nfs/dbraw/zinc/97/45/92/572974592.db2.gz SGPJKLQUNYZVRT-UHFFFAOYSA-N -1 3 280.161 3.159 20 0 CGADHM C[C@@H]1CC(C)(C)CC[C@H]1[N-]C(=O)C(F)(F)C(F)F ZINC000749417607 573001919 /nfs/dbraw/zinc/00/19/19/573001919.db2.gz GEBHWDJEWBEKMU-HTQZYQBOSA-N -1 3 269.282 3.218 20 0 CGADHM CCc1ccc([C@@H](C)CC(=O)[N-]OCC(C)C)cc1 ZINC000750005098 573073108 /nfs/dbraw/zinc/07/31/08/573073108.db2.gz AYMOXYHNLAVANB-ZDUSSCGKSA-N -1 3 263.381 3.446 20 0 CGADHM CC(C)CO[N-]C(=O)CCCOc1ccc2c(c1)CCC2 ZINC000750008747 573073220 /nfs/dbraw/zinc/07/32/20/573073220.db2.gz WQXTVPDVQLVYKT-UHFFFAOYSA-N -1 3 291.391 3.038 20 0 CGADHM CCCCCn1nc(C)cc1NC([O-])=NOCC(C)C ZINC000750330641 573111901 /nfs/dbraw/zinc/11/19/01/573111901.db2.gz DAQXUHUAHDZVLT-UHFFFAOYSA-N -1 3 282.388 3.091 20 0 CGADHM CCCCCn1nc(C)cc1NC(=O)[N-]OCC(C)C ZINC000750330641 573111907 /nfs/dbraw/zinc/11/19/07/573111907.db2.gz DAQXUHUAHDZVLT-UHFFFAOYSA-N -1 3 282.388 3.091 20 0 CGADHM O=C(OCC1CC=CC1)c1cc(Cl)c(Cl)[n-]1 ZINC000750375585 573113222 /nfs/dbraw/zinc/11/32/22/573113222.db2.gz FEIANXRYZOTUJL-UHFFFAOYSA-N -1 3 260.120 3.445 20 0 CGADHM CC(C)(NCc1ccsc1C(=O)[O-])c1ccccc1 ZINC000311962662 601820064 /nfs/dbraw/zinc/82/00/64/601820064.db2.gz PJZWPAJVGJMALP-UHFFFAOYSA-N -1 3 275.373 3.471 20 0 CGADHM CC[C@@H]1CCCCN1c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820979085 607302081 /nfs/dbraw/zinc/30/20/81/607302081.db2.gz FGIRHYIIKKUCCE-SNVBAGLBSA-N -1 3 291.786 3.289 20 0 CGADHM CC[C@@H]1CCCCN1c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820979085 607302082 /nfs/dbraw/zinc/30/20/82/607302082.db2.gz FGIRHYIIKKUCCE-SNVBAGLBSA-N -1 3 291.786 3.289 20 0 CGADHM C[C@@H](NCc1cccc(C(=O)[O-])c1)c1ccsc1 ZINC000235215323 598192346 /nfs/dbraw/zinc/19/23/46/598192346.db2.gz WZSDFYWSGCDXFX-SNVBAGLBSA-N -1 3 261.346 3.297 20 0 CGADHM C[C@@H](NCc1cccc(C(=O)[O-])c1)c1ccccc1N(C)C ZINC000820149009 598192851 /nfs/dbraw/zinc/19/28/51/598192851.db2.gz UDYIHVXBOWTNQD-CYBMUJFWSA-N -1 3 298.386 3.302 20 0 CGADHM Clc1ccc(NC[C@H]2CC=CCC2)c(-c2nnn[n-]2)c1 ZINC000737576183 598794903 /nfs/dbraw/zinc/79/49/03/598794903.db2.gz XOCVNJOLORYDJV-JTQLQIEISA-N -1 3 289.770 3.288 20 0 CGADHM Clc1ccc(NC[C@H]2CC=CCC2)c(-c2nn[n-]n2)c1 ZINC000737576183 598794905 /nfs/dbraw/zinc/79/49/05/598794905.db2.gz XOCVNJOLORYDJV-JTQLQIEISA-N -1 3 289.770 3.288 20 0 CGADHM Clc1ccc(-c2nnn[n-]2)c(NC[C@@H]2CC=CCC2)c1 ZINC000737570083 599418870 /nfs/dbraw/zinc/41/88/70/599418870.db2.gz ANZVXSUMEQXKEU-SNVBAGLBSA-N -1 3 289.770 3.288 20 0 CGADHM Clc1ccc(-c2nn[n-]n2)c(NC[C@@H]2CC=CCC2)c1 ZINC000737570083 599418874 /nfs/dbraw/zinc/41/88/74/599418874.db2.gz ANZVXSUMEQXKEU-SNVBAGLBSA-N -1 3 289.770 3.288 20 0 CGADHM Clc1cccc(N2CCCCCCC2)c1-c1nnn[n-]1 ZINC000822586426 599452691 /nfs/dbraw/zinc/45/26/91/599452691.db2.gz YGLBTNZXOOSBIF-UHFFFAOYSA-N -1 3 291.786 3.291 20 0 CGADHM Clc1cccc(N2CCCCCCC2)c1-c1nn[n-]n1 ZINC000822586426 599452693 /nfs/dbraw/zinc/45/26/93/599452693.db2.gz YGLBTNZXOOSBIF-UHFFFAOYSA-N -1 3 291.786 3.291 20 0 CGADHM Cc1ccccc1[C@@H](C)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000822345806 599468139 /nfs/dbraw/zinc/46/81/39/599468139.db2.gz RZYLGVMQRCSIAF-LLVKDONJSA-N -1 3 297.337 3.487 20 0 CGADHM Cc1ccccc1[C@@H](C)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000822345806 599468141 /nfs/dbraw/zinc/46/81/41/599468141.db2.gz RZYLGVMQRCSIAF-LLVKDONJSA-N -1 3 297.337 3.487 20 0 CGADHM O=C(CCCC1CCCC1)Nc1ccccc1-c1nnn[n-]1 ZINC000822954939 599628050 /nfs/dbraw/zinc/62/80/50/599628050.db2.gz GBMSMZZVBDDENY-UHFFFAOYSA-N -1 3 299.378 3.166 20 0 CGADHM O=C(CCCC1CCCC1)Nc1ccccc1-c1nn[n-]n1 ZINC000822954939 599628051 /nfs/dbraw/zinc/62/80/51/599628051.db2.gz GBMSMZZVBDDENY-UHFFFAOYSA-N -1 3 299.378 3.166 20 0 CGADHM CCC[C@@](C)(NCc1coc(-c2cccs2)n1)C(=O)[O-] ZINC000036808393 600155404 /nfs/dbraw/zinc/15/54/04/600155404.db2.gz ZQDJXKHXLLPJLV-CQSZACIVSA-N -1 3 294.376 3.136 20 0 CGADHM COc1ccccc1[C@H]1CCCCN1C/C=C(\C)C(=O)[O-] ZINC000832602865 601165166 /nfs/dbraw/zinc/16/51/66/601165166.db2.gz WRJMUNPRACVXCS-NRMKIYEFSA-N -1 3 289.375 3.253 20 0 CGADHM C[C@@H](c1ccc2ccccc2c1)N1CC[C@](F)(C(=O)[O-])C1 ZINC000827943097 601435857 /nfs/dbraw/zinc/43/58/57/601435857.db2.gz XKLZONYBTKIWLD-YVEFUNNKSA-N -1 3 287.334 3.399 20 0 CGADHM C/C(=C/CN1CCCC[C@H]1c1ccc(F)cc1)C(=O)[O-] ZINC000825740875 601451750 /nfs/dbraw/zinc/45/17/50/601451750.db2.gz CPZWENZNBHJGES-LMRWQKIVSA-N -1 3 277.339 3.384 20 0 CGADHM O=C([O-])c1sccc1CN1CCC[C@H]1c1ccc[nH]1 ZINC000833349091 601808521 /nfs/dbraw/zinc/80/85/21/601808521.db2.gz ZTMMOPIOPUMJJG-LBPRGKRZSA-N -1 3 276.361 3.112 20 0 CGADHM Cc1[n-]n([C@@H]2CCc3c2cccc3F)c(=O)c1C(C)C ZINC000899356612 620653152 /nfs/dbraw/zinc/65/31/52/620653152.db2.gz NVTLVTVMYOLKER-HUUCEWRRSA-N -1 3 274.339 3.303 20 0 CGADHM C[C@@H](NCC[C@H]1CCN(C(=O)[O-])C1)c1cc(F)ccc1F ZINC000825490615 604288742 /nfs/dbraw/zinc/28/87/42/604288742.db2.gz NBSJERWDWDEBRQ-MNOVXSKESA-N -1 3 298.333 3.005 20 0 CGADHM C[C@@H](N[C@@H]1CCCN(C(=O)[O-])C1)c1cc2ccccc2o1 ZINC000827717302 604292393 /nfs/dbraw/zinc/29/23/93/604292393.db2.gz GEYLULGMQGROME-DGCLKSJQSA-N -1 3 288.347 3.226 20 0 CGADHM C[C@H]1CN(Cc2cc(Cl)cc(Cl)c2)C[C@@H]1C(=O)[O-] ZINC000086774381 604667402 /nfs/dbraw/zinc/66/74/02/604667402.db2.gz USNNMEITOMYBPF-UFBFGSQYSA-N -1 3 288.174 3.146 20 0 CGADHM Cc1cccc(C)c1CNCc1ccc(NC(=O)[O-])nc1 ZINC000830480725 604775184 /nfs/dbraw/zinc/77/51/84/604775184.db2.gz SXYSAQSDNTUTKF-UHFFFAOYSA-N -1 3 285.347 3.078 20 0 CGADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2cc(F)ccc2F)C1 ZINC000157988519 604939804 /nfs/dbraw/zinc/93/98/04/604939804.db2.gz FYKPRMPIASCKLI-GFCCVEGCSA-N -1 3 297.345 3.288 20 0 CGADHM C[C@H](N[C@@H](C(=O)[O-])c1cccnc1)c1cccc(Cl)c1 ZINC000827717968 604985570 /nfs/dbraw/zinc/98/55/70/604985570.db2.gz NGVGWBHBOAKGSB-IINYFYTJSA-N -1 3 290.750 3.212 20 0 CGADHM Cc1cnc([C@H](C)N[C@H](C)C[C@@H]2CCCN2C(=O)[O-])s1 ZINC000830625758 605513205 /nfs/dbraw/zinc/51/32/05/605513205.db2.gz URGCAVYKXJZGQX-USWWRNFRSA-N -1 3 297.424 3.023 20 0 CGADHM C[C@@H](c1ccc(F)c(F)c1)N1C[C@H](CNC(=O)[O-])C[C@H]1C ZINC000833833004 605887929 /nfs/dbraw/zinc/88/79/29/605887929.db2.gz WAYACAPNPZOOGP-VWYCJHECSA-N -1 3 298.333 3.004 20 0 CGADHM C[C@@H]1c2ccccc2CN1c1ccc(F)cc1-c1nnn[n-]1 ZINC000820827665 606137489 /nfs/dbraw/zinc/13/74/89/606137489.db2.gz VOCWEMYHHXBLQC-SNVBAGLBSA-N -1 3 295.321 3.087 20 0 CGADHM C[C@@H]1c2ccccc2CN1c1ccc(F)cc1-c1nn[n-]n1 ZINC000820827665 606137490 /nfs/dbraw/zinc/13/74/90/606137490.db2.gz VOCWEMYHHXBLQC-SNVBAGLBSA-N -1 3 295.321 3.087 20 0 CGADHM Cc1cccc(C)c1NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822293835 606441676 /nfs/dbraw/zinc/44/16/76/606441676.db2.gz NLVYYMDNRLVGCK-UHFFFAOYSA-N -1 3 297.337 3.235 20 0 CGADHM Cc1cccc(C)c1NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822293835 606441677 /nfs/dbraw/zinc/44/16/77/606441677.db2.gz NLVYYMDNRLVGCK-UHFFFAOYSA-N -1 3 297.337 3.235 20 0 CGADHM CSc1cccc(NCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000821984328 606632689 /nfs/dbraw/zinc/63/26/89/606632689.db2.gz MXFCWRDRTRRHGH-UHFFFAOYSA-N -1 3 297.387 3.201 20 0 CGADHM CSc1cccc(NCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000821984328 606632690 /nfs/dbraw/zinc/63/26/90/606632690.db2.gz MXFCWRDRTRRHGH-UHFFFAOYSA-N -1 3 297.387 3.201 20 0 CGADHM Cc1c(Cl)cccc1NCc1cccc(-c2nnn[n-]2)c1 ZINC000822034976 606636508 /nfs/dbraw/zinc/63/65/08/606636508.db2.gz NJWXBANLUVHSCX-UHFFFAOYSA-N -1 3 299.765 3.441 20 0 CGADHM Cc1c(Cl)cccc1NCc1cccc(-c2nn[n-]n2)c1 ZINC000822034976 606636509 /nfs/dbraw/zinc/63/65/09/606636509.db2.gz NJWXBANLUVHSCX-UHFFFAOYSA-N -1 3 299.765 3.441 20 0 CGADHM COCC[C@H](C)S[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821685452 606695081 /nfs/dbraw/zinc/69/50/81/606695081.db2.gz DFIAWEIZVCWUHF-QWRGUYRKSA-N -1 3 292.408 3.086 20 0 CGADHM COCC[C@H](C)S[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821685452 606695082 /nfs/dbraw/zinc/69/50/82/606695082.db2.gz DFIAWEIZVCWUHF-QWRGUYRKSA-N -1 3 292.408 3.086 20 0 CGADHM Cc1ccc([C@@H](C)Nc2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000822229456 606733296 /nfs/dbraw/zinc/73/32/96/606733296.db2.gz VFAWULBAOHHNIE-LLVKDONJSA-N -1 3 297.337 3.487 20 0 CGADHM CCc1ccc(NCc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000821486356 606927043 /nfs/dbraw/zinc/92/70/43/606927043.db2.gz DBQGJJZAJFTAPL-UHFFFAOYSA-N -1 3 297.337 3.180 20 0 CGADHM CCc1ccc(NCc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000821486356 606927044 /nfs/dbraw/zinc/92/70/44/606927044.db2.gz DBQGJJZAJFTAPL-UHFFFAOYSA-N -1 3 297.337 3.180 20 0 CGADHM Fc1cc(-c2nnn[n-]2)ccc1OC/C=C\c1ccccc1 ZINC000822748199 607138345 /nfs/dbraw/zinc/13/83/45/607138345.db2.gz MXXODVJPDNCFNC-DAXSKMNVSA-N -1 3 296.305 3.098 20 0 CGADHM Fc1cc(-c2nn[n-]n2)ccc1OC/C=C\c1ccccc1 ZINC000822748199 607138347 /nfs/dbraw/zinc/13/83/47/607138347.db2.gz MXXODVJPDNCFNC-DAXSKMNVSA-N -1 3 296.305 3.098 20 0 CGADHM c1cc(-c2nnn[n-]2)c(N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)cn1 ZINC000826513006 608770380 /nfs/dbraw/zinc/77/03/80/608770380.db2.gz WVZNKOOUSNAGOO-RWMBFGLXSA-N -1 3 298.394 3.033 20 0 CGADHM c1cc(-c2nn[n-]n2)c(N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)cn1 ZINC000826513006 608770390 /nfs/dbraw/zinc/77/03/90/608770390.db2.gz WVZNKOOUSNAGOO-RWMBFGLXSA-N -1 3 298.394 3.033 20 0 CGADHM Fc1ccc(/C=C\CNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826374043 608870071 /nfs/dbraw/zinc/87/00/71/608870071.db2.gz JIWZODRGTVJJTR-IHWYPQMZSA-N -1 3 295.321 3.131 20 0 CGADHM Fc1ccc(/C=C\CNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826374043 608870074 /nfs/dbraw/zinc/87/00/74/608870074.db2.gz JIWZODRGTVJJTR-IHWYPQMZSA-N -1 3 295.321 3.131 20 0 CGADHM Cc1ccc(N[C@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)cc1 ZINC000826291573 609161229 /nfs/dbraw/zinc/16/12/29/609161229.db2.gz LZQLKKMRJNAXMK-LLVKDONJSA-N -1 3 297.337 3.487 20 0 CGADHM Cc1ccc(N[C@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)cc1 ZINC000826291573 609161230 /nfs/dbraw/zinc/16/12/30/609161230.db2.gz LZQLKKMRJNAXMK-LLVKDONJSA-N -1 3 297.337 3.487 20 0 CGADHM Cc1cccc(N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000826299504 609161244 /nfs/dbraw/zinc/16/12/44/609161244.db2.gz ICKZMQIEMBPRHJ-GFCCVEGCSA-N -1 3 279.347 3.348 20 0 CGADHM Cc1cccc(N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000826299504 609161245 /nfs/dbraw/zinc/16/12/45/609161245.db2.gz ICKZMQIEMBPRHJ-GFCCVEGCSA-N -1 3 279.347 3.348 20 0 CGADHM Cc1ccc(-c2nnn[n-]2)cc1NCc1ccc(CF)cc1 ZINC000826278857 609267673 /nfs/dbraw/zinc/26/76/73/609267673.db2.gz VXSDRZZQNIULCM-UHFFFAOYSA-N -1 3 297.337 3.257 20 0 CGADHM Cc1ccc(-c2nn[n-]n2)cc1NCc1ccc(CF)cc1 ZINC000826278857 609267674 /nfs/dbraw/zinc/26/76/74/609267674.db2.gz VXSDRZZQNIULCM-UHFFFAOYSA-N -1 3 297.337 3.257 20 0 CGADHM Cc1ccc(F)cc1N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826290009 609272743 /nfs/dbraw/zinc/27/27/43/609272743.db2.gz WHDBKFZMXVVXGU-LLVKDONJSA-N -1 3 297.337 3.487 20 0 CGADHM Cc1ccc(F)cc1N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826290009 609272744 /nfs/dbraw/zinc/27/27/44/609272744.db2.gz WHDBKFZMXVVXGU-LLVKDONJSA-N -1 3 297.337 3.487 20 0 CGADHM Cc1ccccc1[C@@H](C)Nc1nccc(C)c1-c1nnn[n-]1 ZINC000826305773 609527307 /nfs/dbraw/zinc/52/73/07/609527307.db2.gz IDGWWTJHLLPSQJ-GFCCVEGCSA-N -1 3 294.362 3.052 20 0 CGADHM Cc1ccccc1[C@@H](C)Nc1nccc(C)c1-c1nn[n-]n1 ZINC000826305773 609527308 /nfs/dbraw/zinc/52/73/08/609527308.db2.gz IDGWWTJHLLPSQJ-GFCCVEGCSA-N -1 3 294.362 3.052 20 0 CGADHM N#CCSc1ccccc1C([O-])=C(C#N)c1ccccn1 ZINC000049457113 617609559 /nfs/dbraw/zinc/60/95/59/617609559.db2.gz PUMLZWDLCJLMPC-ZDUSSCGKSA-N -1 3 293.351 3.187 20 0 CGADHM CCc1ccc2c(c1)CCN2C(=O)c1cccc(OC)c1[O-] ZINC000891387250 618179639 /nfs/dbraw/zinc/17/96/39/618179639.db2.gz WTLLVBXGWWEFGW-UHFFFAOYSA-N -1 3 297.354 3.166 20 0 CGADHM Cc1ccc(NCc2cccc(Br)c2[O-])nc1 ZINC000157461046 618245650 /nfs/dbraw/zinc/24/56/50/618245650.db2.gz GMUSGQGWXFXZEC-UHFFFAOYSA-N -1 3 293.164 3.470 20 0 CGADHM Cc1cc(=O)[n-]c(CSc2ccc(Cl)cc2)n1 ZINC000090244405 618345035 /nfs/dbraw/zinc/34/50/35/618345035.db2.gz HEDVZKYSJFCJAL-UHFFFAOYSA-N -1 3 266.753 3.024 20 0 CGADHM CS[C@H]1CC[C@H](NC(=O)c2cc([O-])ccc2Cl)C1 ZINC000235099687 618651831 /nfs/dbraw/zinc/65/18/31/618651831.db2.gz MXFBRNHELSAGKV-WPRPVWTQSA-N -1 3 285.796 3.060 20 0 CGADHM C/C(=C/C(=O)[N-]O[C@H]1CCCCO1)c1cccc(Cl)c1 ZINC000255685834 618777268 /nfs/dbraw/zinc/77/72/68/618777268.db2.gz YFOHAYFANYRLSL-KLQCNHIUSA-N -1 3 295.766 3.318 20 0 CGADHM Cc1ccc([C@H](C)NCc2ccoc2C(=O)[O-])cc1 ZINC000235519896 618806061 /nfs/dbraw/zinc/80/60/61/618806061.db2.gz MIMSEMLGJBHPAY-NSHDSACASA-N -1 3 259.305 3.137 20 0 CGADHM Cc1[n-]n(-c2cc(F)c(F)cc2F)c(=O)c1C(C)C ZINC000112351405 618961837 /nfs/dbraw/zinc/96/18/37/618961837.db2.gz LHIXAONBVWADFC-GFCCVEGCSA-N -1 3 270.254 3.099 20 0 CGADHM C[C@@H]1C[C@@H]1C(=O)COC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000909335347 619150580 /nfs/dbraw/zinc/15/05/80/619150580.db2.gz NLEHQZSPZAEIHA-SVRRBLITSA-N -1 3 297.763 3.265 20 0 CGADHM Cc1ccc(Cl)cc1N=Cc1c([O-])c(C)ncc1CO ZINC000254442135 619220573 /nfs/dbraw/zinc/22/05/73/619220573.db2.gz NKVLUEKKCCGPON-UHFFFAOYSA-N -1 3 290.750 3.300 20 0 CGADHM CN(C(=O)c1ccccc1[O-])C(C)(C)c1ccccc1 ZINC000034555481 619234219 /nfs/dbraw/zinc/23/42/19/619234219.db2.gz SEBUZOQBNIUYOY-UHFFFAOYSA-N -1 3 269.344 3.400 20 0 CGADHM CC1(C)CCCC[C@@H]1CC(=O)[N-]OCc1ccccn1 ZINC000909544104 620086405 /nfs/dbraw/zinc/08/64/05/620086405.db2.gz IOHXUZBKPAAAML-CYBMUJFWSA-N -1 3 276.380 3.236 20 0 CGADHM Cc1cccc(C)c1-c1ccc(-c2nnn[n-]2)cc1 ZINC000067560362 620305502 /nfs/dbraw/zinc/30/55/02/620305502.db2.gz BAGLPZIDMOUOQS-UHFFFAOYSA-N -1 3 250.305 3.151 20 0 CGADHM Cc1cccc(C)c1-c1ccc(-c2nn[n-]n2)cc1 ZINC000067560362 620305509 /nfs/dbraw/zinc/30/55/09/620305509.db2.gz BAGLPZIDMOUOQS-UHFFFAOYSA-N -1 3 250.305 3.151 20 0 CGADHM CC(C)(C)c1coc(CNCc2c(F)ccc([O-])c2F)n1 ZINC000897944142 620453436 /nfs/dbraw/zinc/45/34/36/620453436.db2.gz JVPKLCZCQUOPEB-UHFFFAOYSA-N -1 3 296.317 3.246 20 0 CGADHM Cc1nnc([N-]C(=O)c2cc3cccc(Cl)c3o2)s1 ZINC000041330844 620558829 /nfs/dbraw/zinc/55/88/29/620558829.db2.gz SXSALMQXOQGIKP-UHFFFAOYSA-N -1 3 293.735 3.498 20 0 CGADHM C[C@]1(CC(=O)[N-]Oc2ccc(F)cc2)CC1(Cl)Cl ZINC000898576293 620597526 /nfs/dbraw/zinc/59/75/26/620597526.db2.gz LDIVBJTUGONMCT-NSHDSACASA-N -1 3 292.137 3.210 20 0 CGADHM CCCC(C)(C)CC(=O)[N-]OCc1cccc(C)n1 ZINC000898932667 620610321 /nfs/dbraw/zinc/61/03/21/620610321.db2.gz QXCBUHFFVFYBBN-UHFFFAOYSA-N -1 3 264.369 3.154 20 0 CGADHM CC1CC(CSc2nc(=O)cc([O-])n2C2CCCC2)C1 ZINC000901460242 620894586 /nfs/dbraw/zinc/89/45/86/620894586.db2.gz MRVRRHFQJGMFAY-UHFFFAOYSA-N -1 3 294.420 3.202 20 0 CGADHM CC(C)(C)c1ncc(CN2CCC[C@@](C)(C(=O)[O-])C2)s1 ZINC000901696886 620992167 /nfs/dbraw/zinc/99/21/67/620992167.db2.gz ATBAEYZYBPCBKB-OAHLLOKOSA-N -1 3 296.436 3.127 20 0 CGADHM C[C@]1(C(=O)[O-])CCCN(C/C=C\c2ccc(F)cc2F)C1 ZINC000901700429 620993757 /nfs/dbraw/zinc/99/37/57/620993757.db2.gz JBUQBELASCOQEJ-OUMXJLHTSA-N -1 3 295.329 3.165 20 0 CGADHM C[C@@]1(C(=O)[O-])CCCN(C/C=C\c2ccc(F)cc2F)C1 ZINC000901700434 620993862 /nfs/dbraw/zinc/99/38/62/620993862.db2.gz JBUQBELASCOQEJ-ZENLRNHISA-N -1 3 295.329 3.165 20 0 CGADHM O=C([O-])[C@H](CC(F)F)NCc1ccc(Cl)cc1Cl ZINC000901814831 621039609 /nfs/dbraw/zinc/03/96/09/621039609.db2.gz WEDXXSMSKWRZOA-VIFPVBQESA-N -1 3 298.116 3.191 20 0 CGADHM C[C@H](CN(Cc1cnc(C(C)(C)C)s1)C1CC1)C(=O)[O-] ZINC000901993230 621088763 /nfs/dbraw/zinc/08/87/63/621088763.db2.gz JDMHYGORPYKFDW-SNVBAGLBSA-N -1 3 296.436 3.126 20 0 CGADHM C[C@@H]1CCCC[C@@H]1OCCNCc1csc(C(=O)[O-])c1 ZINC000902123516 621162470 /nfs/dbraw/zinc/16/24/70/621162470.db2.gz WQOUBFVNBWLHGI-YPMHNXCESA-N -1 3 297.420 3.131 20 0 CGADHM CCc1nc(CN[C@@H](C)CC(C)(C)CC(=O)[O-])cs1 ZINC000902235466 621205638 /nfs/dbraw/zinc/20/56/38/621205638.db2.gz VNRKVGXFPHQPKW-JTQLQIEISA-N -1 3 284.425 3.075 20 0 CGADHM O=C([O-])c1ccc(CNCC2(C(F)(F)F)CCCC2)o1 ZINC000902494367 621344082 /nfs/dbraw/zinc/34/40/82/621344082.db2.gz RRVWKDIHWDCGEM-UHFFFAOYSA-N -1 3 291.269 3.190 20 0 CGADHM COC/C(C)=C\CO[N-]C(=O)Cc1cccc2ccccc21 ZINC000902710307 621404787 /nfs/dbraw/zinc/40/47/87/621404787.db2.gz DWEWNQHGXSPPPS-UVTDQMKNSA-N -1 3 299.370 3.023 20 0 CGADHM COc1cccc(-c2nc(CCCCSC)no2)c1[O-] ZINC000903784650 621808263 /nfs/dbraw/zinc/80/82/63/621808263.db2.gz CYPRSCXGQNGOLW-UHFFFAOYSA-N -1 3 294.376 3.137 20 0 CGADHM C/C(=C/CN1CC=C(c2cccc(C)c2C)CC1)C(=O)[O-] ZINC000903962282 621837676 /nfs/dbraw/zinc/83/76/76/621837676.db2.gz CRYACVFJVCFMCM-AUWJEWJLSA-N -1 3 285.387 3.423 20 0 CGADHM COc1ccsc1CN[C@H](CC(=O)[O-])c1cccs1 ZINC000904004313 621853315 /nfs/dbraw/zinc/85/33/15/621853315.db2.gz BVAIAVZMZPZEEB-SECBINFHSA-N -1 3 297.401 3.124 20 0 CGADHM CC[C@@]1(C(=O)[O-])CCCN(Cc2cscc2Cl)C1 ZINC000904400059 621917249 /nfs/dbraw/zinc/91/72/49/621917249.db2.gz DRHTVPNOUAQXHA-CYBMUJFWSA-N -1 3 287.812 3.478 20 0 CGADHM CC(C)(C)SCCN[C@H](C(=O)[O-])c1ccccc1F ZINC000905377807 622066180 /nfs/dbraw/zinc/06/61/80/622066180.db2.gz XGEJXAMJMYXMAG-LBPRGKRZSA-N -1 3 285.384 3.073 20 0 CGADHM COc1cccc([O-])c1C(=O)N1CCC(C)(C2CC2)CC1 ZINC000908285606 622340159 /nfs/dbraw/zinc/34/01/59/622340159.db2.gz UAZZKNRCHBFBQQ-UHFFFAOYSA-N -1 3 289.375 3.053 20 0 CGADHM C[C@H]1CCCCN1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000912143220 622610845 /nfs/dbraw/zinc/61/08/45/622610845.db2.gz FGQPFSRSAOHVCY-LBPRGKRZSA-N -1 3 284.359 3.065 20 0 CGADHM C/C=C/C[C@H]1CCCN(C(=O)c2c([O-])cccc2OC)C1 ZINC000913354121 622760814 /nfs/dbraw/zinc/76/08/14/622760814.db2.gz ZMOVIJSKXOTCNJ-OOPCZODUSA-N -1 3 289.375 3.219 20 0 CGADHM CCOc1ccc(CCC(=O)[N-]OCc2ccccc2)cc1 ZINC000055160938 622813039 /nfs/dbraw/zinc/81/30/39/622813039.db2.gz RBQWHUXZFLFRHI-UHFFFAOYSA-N -1 3 299.370 3.266 20 0 CGADHM O=C(CCCc1ccccc1)[N-]OCc1ccccc1F ZINC000171820294 623194521 /nfs/dbraw/zinc/19/45/21/623194521.db2.gz XAPCACBTJHJJAF-UHFFFAOYSA-N -1 3 287.334 3.396 20 0 CGADHM C/C(=C/c1cccc(Cl)c1)C(=O)[N-]OCC(F)F ZINC000760149206 623607867 /nfs/dbraw/zinc/60/78/67/623607867.db2.gz AGAPURFQIGFYAR-YVMONPNESA-N -1 3 275.682 3.056 20 0 CGADHM C[C@@H](NCCC1CCCCC1)c1ncc(C(=O)[O-])s1 ZINC000314810798 623664400 /nfs/dbraw/zinc/66/44/00/623664400.db2.gz OVRHEXBLJPYMQD-SNVBAGLBSA-N -1 3 282.409 3.462 20 0 CGADHM COc1ccc2c(c1)CCC[C@H]2CC(=O)[N-]OCC(C)C ZINC000153604730 623975759 /nfs/dbraw/zinc/97/57/59/623975759.db2.gz PVKKPTHXGQEEBJ-AWEZNQCLSA-N -1 3 291.391 3.209 20 0 CGADHM CC[C@H](CO)Sc1nnc([N-]c2ccccc2F)s1 ZINC000915673841 624018010 /nfs/dbraw/zinc/01/80/10/624018010.db2.gz BOESWOLIEDBKKR-MRVPVSSYSA-N -1 3 299.396 3.284 20 0 CGADHM CCCCO[N-]C(=O)Cc1cccc2ccccc21 ZINC000154563615 624317786 /nfs/dbraw/zinc/31/77/86/624317786.db2.gz VUHCDANXGIVYOF-UHFFFAOYSA-N -1 3 257.333 3.230 20 0 CGADHM CN(Cc1ccco1)Cc1cccc(Cl)c1[O-] ZINC000179582308 624666326 /nfs/dbraw/zinc/66/63/26/624666326.db2.gz URGHWTIFTJKZQP-UHFFFAOYSA-N -1 3 251.713 3.271 20 0 CGADHM CCC[C@H](C)CC(=O)[N-]OCc1ccc(F)cc1 ZINC000184160096 625207607 /nfs/dbraw/zinc/20/76/07/625207607.db2.gz JPVRBIITFUQVQA-NSHDSACASA-N -1 3 253.317 3.200 20 0 CGADHM Cc1cccc(CCC(=O)[N-]OCc2ccc(F)cc2)c1 ZINC000184232185 625212709 /nfs/dbraw/zinc/21/27/09/625212709.db2.gz SDQHLNTVEDTVCP-UHFFFAOYSA-N -1 3 287.334 3.315 20 0 CGADHM Cc1ccc(C)c(CC(=O)[N-]OCc2ccc(F)cc2)c1 ZINC000184257947 625216575 /nfs/dbraw/zinc/21/65/75/625216575.db2.gz OPEJINRPBKHPTJ-UHFFFAOYSA-N -1 3 287.334 3.233 20 0 CGADHM CCCC(O)(CCC)CC(=O)[N-]OCc1ccc(F)cc1 ZINC000186459176 625864412 /nfs/dbraw/zinc/86/44/12/625864412.db2.gz CEUFETXQOCDZHJ-UHFFFAOYSA-N -1 3 297.370 3.095 20 0 CGADHM O=c1ccnc(C=Cc2ccccc2OC(F)(F)F)[n-]1 ZINC000742221600 626175044 /nfs/dbraw/zinc/17/50/44/626175044.db2.gz PLYBXQGVJUKLKP-AATRIKPKSA-N -1 3 282.221 3.251 20 0 CGADHM CCc1cccc(C(=O)N2CCc3c(C)cccc3C2)c1[O-] ZINC000751389277 626388266 /nfs/dbraw/zinc/38/82/66/626388266.db2.gz ZSOPOIHQWHGTGB-UHFFFAOYSA-N -1 3 295.382 3.462 20 0 CGADHM Nc1ccc(C(=O)N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)c([O-])c1 ZINC000753263395 626449386 /nfs/dbraw/zinc/44/93/86/626449386.db2.gz RSJAZKQQMCHUFC-YRGRVCCFSA-N -1 3 288.391 3.063 20 0 CGADHM CCO[N-]C(=O)CCCc1ccc(CC(C)C)cc1 ZINC000753914027 626468617 /nfs/dbraw/zinc/46/86/17/626468617.db2.gz KGYYHZACJTYYFC-UHFFFAOYSA-N -1 3 263.381 3.276 20 0 CGADHM CC[C@H](C)c1ccc(C(=O)Nc2n[n-]c(SC)n2)cc1 ZINC000755261181 626610720 /nfs/dbraw/zinc/61/07/20/626610720.db2.gz KGURAOXOTDJNJX-VIFPVBQESA-N -1 3 290.392 3.292 20 0 CGADHM CC[C@@H](C)C(=O)COC(=O)c1cc2ccsc2[n-]1 ZINC000756352791 626694908 /nfs/dbraw/zinc/69/49/08/626694908.db2.gz QNACRLABVQZUIS-MRVPVSSYSA-N -1 3 265.334 3.001 20 0 CGADHM O=C(C[C@H](c1ccc(O)cc1)C1CC1)[N-]OC/C=C\Cl ZINC000839776232 626787047 /nfs/dbraw/zinc/78/70/47/626787047.db2.gz ZAJYMDDQUMJKSX-VXBLFYHMSA-N -1 3 295.766 3.076 20 0 CGADHM COc1ccc(CNCc2ccc([O-])c(Cl)c2)c(F)c1 ZINC000758488973 626845842 /nfs/dbraw/zinc/84/58/42/626845842.db2.gz YCGSIOCQXIZTKN-UHFFFAOYSA-N -1 3 295.741 3.483 20 0 CGADHM CCON(CC1CCCCC1)C(=O)c1c([O-])cccc1O ZINC000839791064 626858712 /nfs/dbraw/zinc/85/87/12/626858712.db2.gz FLDLNNHRLCJUGR-UHFFFAOYSA-N -1 3 293.363 3.072 20 0 CGADHM O=c1ccnc(C=Cc2cc(F)ccc2Br)[n-]1 ZINC000761206845 627025370 /nfs/dbraw/zinc/02/53/70/627025370.db2.gz XWTPVIVWQXUJKI-RJRFIUFISA-N -1 3 295.111 3.254 20 0 CGADHM Cc1ccccc1-c1noc(-c2cc(=O)[n-]c(C3CC3)n2)n1 ZINC000874434504 634543198 /nfs/dbraw/zinc/54/31/98/634543198.db2.gz RGQLFEIUHHLRKE-UHFFFAOYSA-N -1 3 294.314 3.085 20 0 CGADHM Cc1cc(=O)[n-]c(CN(Cc2ccc(F)cc2)C(C)C)n1 ZINC000761860378 627067984 /nfs/dbraw/zinc/06/79/84/627067984.db2.gz HDUWTZLHYBBZQM-UHFFFAOYSA-N -1 3 289.354 3.040 20 0 CGADHM Cc1cc(=O)[n-]c(CSc2ccc3c(c2)CCC3)n1 ZINC000761861311 627068357 /nfs/dbraw/zinc/06/83/57/627068357.db2.gz QCTRFLNUWCMWOO-UHFFFAOYSA-N -1 3 272.373 3.272 20 0 CGADHM Cc1cc(Cl)ccc1COC(=O)c1cncc([O-])c1 ZINC000769099135 627522276 /nfs/dbraw/zinc/52/22/76/627522276.db2.gz ADDVQIMSLVJMMR-UHFFFAOYSA-N -1 3 277.707 3.106 20 0 CGADHM O=C(OCc1cccnc1Cl)c1cccc(Cl)c1[O-] ZINC000775932367 628150323 /nfs/dbraw/zinc/15/03/23/628150323.db2.gz HVYMWSIKJCEGKL-UHFFFAOYSA-N -1 3 298.125 3.451 20 0 CGADHM Cc1cc(C=C2SC(=O)[N-]C2=O)c(OC(F)F)cc1C ZINC000874927491 634652960 /nfs/dbraw/zinc/65/29/60/634652960.db2.gz ICXSGEVJPHZMSX-YHYXMXQVSA-N -1 3 299.298 3.229 20 0 CGADHM CC(=O)[C@@H]1C[C@H](CC(=O)[N-]OC2CCCCC2)C1(C)C ZINC000779321153 628407702 /nfs/dbraw/zinc/40/77/02/628407702.db2.gz DTQPIECJHPXCGQ-OCCSQVGLSA-N -1 3 281.396 3.008 20 0 CGADHM O=C1[N-]C(=O)C(=Cc2csc(Cl)c2Cl)S1 ZINC000874928250 634653840 /nfs/dbraw/zinc/65/38/40/634653840.db2.gz NABNMAOHICORMT-RJRFIUFISA-N -1 3 280.157 3.379 20 0 CGADHM Cc1cnc(C(=O)Nc2cc(Cl)ccc2[O-])c(C)c1 ZINC000780402477 628487383 /nfs/dbraw/zinc/48/73/83/628487383.db2.gz XWYBXVDVTTTWBA-UHFFFAOYSA-N -1 3 276.723 3.310 20 0 CGADHM Cc1ccc(CC(=O)[N-]OCCC2CCCC2)cc1 ZINC000783555132 628725011 /nfs/dbraw/zinc/72/50/11/628725011.db2.gz PQLASAKPVBBHGB-UHFFFAOYSA-N -1 3 261.365 3.166 20 0 CGADHM C[C@H](OC(=O)c1cc2occc2[n-]1)C(=O)c1ccccc1 ZINC000786029981 628908294 /nfs/dbraw/zinc/90/82/94/628908294.db2.gz TZTYAHKKPYUNNC-JTQLQIEISA-N -1 3 283.283 3.189 20 0 CGADHM C[C@@H]1CC[C@@H](COC(=O)c2cc3sccc3c([O-])c2)O1 ZINC000786131874 628915938 /nfs/dbraw/zinc/91/59/38/628915938.db2.gz RWYHJGYYQFXQNN-KOLCDFICSA-N -1 3 292.356 3.331 20 0 CGADHM O=C(COC(=O)c1cc2sccc2c([O-])c1)CC1CC1 ZINC000786141934 628916512 /nfs/dbraw/zinc/91/65/12/628916512.db2.gz POKWVUHGQTUDJV-UHFFFAOYSA-N -1 3 290.340 3.133 20 0 CGADHM O=C(Nc1cccnc1)c1cc2sccc2c([O-])c1 ZINC000791293178 629264989 /nfs/dbraw/zinc/26/49/89/629264989.db2.gz WTFJVDTZHFHATO-UHFFFAOYSA-N -1 3 270.313 3.254 20 0 CGADHM Cc1ccnc(COC(=O)c2cc(Cl)c(Cl)[n-]2)c1 ZINC000791316852 629266567 /nfs/dbraw/zinc/26/65/67/629266567.db2.gz YCBQKUARZGEGOP-UHFFFAOYSA-N -1 3 285.130 3.382 20 0 CGADHM CCC[C@@H](C)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000792040772 629332478 /nfs/dbraw/zinc/33/24/78/629332478.db2.gz QTHOOCVAGCJRQM-LLVKDONJSA-N -1 3 257.333 3.464 20 0 CGADHM COc1ccc([C@H]([N-]C(=O)C(C)(F)F)c2ccco2)cc1 ZINC000836247238 634737621 /nfs/dbraw/zinc/73/76/21/634737621.db2.gz RLQUZRICHKBNJQ-ZDUSSCGKSA-N -1 3 295.285 3.149 20 0 CGADHM CC1(C)CC(CC(=O)[N-]OCc2ccc(F)cc2)C1 ZINC000794413194 629540993 /nfs/dbraw/zinc/54/09/93/629540993.db2.gz GTQOLOHRVJHOKC-UHFFFAOYSA-N -1 3 265.328 3.200 20 0 CGADHM C[C@@H]1C[C@H]1CO[N-]C(=O)Cc1cccc2ccccc21 ZINC000863457392 629576535 /nfs/dbraw/zinc/57/65/35/629576535.db2.gz FLPJREWJUHWURN-DOMZBBRYSA-N -1 3 269.344 3.086 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)Cc1c[nH]c2cc(C)ccc12 ZINC000794853182 629588314 /nfs/dbraw/zinc/58/83/14/629588314.db2.gz MJPHDKFSXZNNMD-NSHDSACASA-N -1 3 274.364 3.113 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)C[C@H](C)c1ccc(OC)cc1 ZINC000794855490 629589551 /nfs/dbraw/zinc/58/95/51/629589551.db2.gz WOUXUNSHBVJXEI-OLZOCXBDSA-N -1 3 279.380 3.283 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)Cc1ccc(Cl)c(F)c1 ZINC000794871759 629592537 /nfs/dbraw/zinc/59/25/37/629592537.db2.gz RYQKGBYAHLIKHB-SECBINFHSA-N -1 3 273.735 3.116 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)Cc1ccccc1C(F)(F)F ZINC000794873648 629592878 /nfs/dbraw/zinc/59/28/78/629592878.db2.gz FEBACMODIPPYDG-SNVBAGLBSA-N -1 3 289.297 3.342 20 0 CGADHM O=C(C[C@H]1CCC(F)(F)C1)[N-]OCc1ccc(F)cc1 ZINC000797986343 630012230 /nfs/dbraw/zinc/01/22/30/630012230.db2.gz LWUPSRGHIJNKPF-LLVKDONJSA-N -1 3 287.281 3.199 20 0 CGADHM CCC[C@H](O)CCCS[C@@H](C)c1nc(C)cc(=O)[n-]1 ZINC000865379843 630089340 /nfs/dbraw/zinc/08/93/40/630089340.db2.gz BFOFKWDPLYYOBS-RYUDHWBXSA-N -1 3 284.425 3.226 20 0 CGADHM CCc1csc(SCc2cc(=O)[n-]c(C3CC3)n2)n1 ZINC000865386755 630093818 /nfs/dbraw/zinc/09/38/18/630093818.db2.gz RBOROAJHUGBJDQ-UHFFFAOYSA-N -1 3 293.417 3.371 20 0 CGADHM Cc1ccc(-c2cc(C(=O)OCCSC(C)C)n[n-]2)o1 ZINC000803288318 630461546 /nfs/dbraw/zinc/46/15/46/630461546.db2.gz YZYCSUGOFDCXOH-UHFFFAOYSA-N -1 3 294.376 3.277 20 0 CGADHM Cc1ccc(-c2cc(C(=O)OCCSC(C)C)[n-]n2)o1 ZINC000803288318 630461547 /nfs/dbraw/zinc/46/15/47/630461547.db2.gz YZYCSUGOFDCXOH-UHFFFAOYSA-N -1 3 294.376 3.277 20 0 CGADHM CCc1cc(=O)[n-]c(CSC/C(Cl)=C\Cl)n1 ZINC000808361313 630639269 /nfs/dbraw/zinc/63/92/69/630639269.db2.gz ODOBMGRRNVXWNZ-QPJJXVBHSA-N -1 3 279.192 3.297 20 0 CGADHM C[C@H]([N-]C(=O)C(C)(F)F)c1ccc(OC(F)(F)F)cc1 ZINC000808455453 630646935 /nfs/dbraw/zinc/64/69/35/630646935.db2.gz AKIQHLCZRXLQRI-ZETCQYMHSA-N -1 3 297.223 3.418 20 0 CGADHM CC(F)(F)C(=O)[N-]Cc1cccc(Cl)c1Cl ZINC000808459840 630647960 /nfs/dbraw/zinc/64/79/60/630647960.db2.gz FIXAUHJWPTUUNI-UHFFFAOYSA-N -1 3 268.090 3.265 20 0 CGADHM COc1ccc(CCC(=O)[N-]O[C@@H](C)c2ccccc2)cc1 ZINC000811015184 631005868 /nfs/dbraw/zinc/00/58/68/631005868.db2.gz IWXPBNLKDPUFGV-AWEZNQCLSA-N -1 3 299.370 3.437 20 0 CGADHM CC1(C)CCCC[C@H]1CC(=O)[N-]OC/C=C\Cl ZINC000812409243 631248919 /nfs/dbraw/zinc/24/89/19/631248919.db2.gz WUHCAGMHLIMDKL-OFSNVTPPSA-N -1 3 259.777 3.393 20 0 CGADHM Cc1ccc(CCCCC(=O)[N-]OC2CCC2)cc1 ZINC000812795897 631313849 /nfs/dbraw/zinc/31/38/49/631313849.db2.gz NGNPWUHSYXLOFQ-UHFFFAOYSA-N -1 3 261.365 3.308 20 0 CGADHM CC(C)[C@@H](CC(=O)[N-]OC1CCC1)c1ccccc1 ZINC000812795540 631313921 /nfs/dbraw/zinc/31/39/21/631313921.db2.gz BKEDZIZEHOUYKP-OAHLLOKOSA-N -1 3 261.365 3.417 20 0 CGADHM [O-]c1cccc(CN[C@@H](CCO)c2cccs2)c1Cl ZINC000815125432 631722794 /nfs/dbraw/zinc/72/27/94/631722794.db2.gz FLWKDSMTPMIFOE-NSHDSACASA-N -1 3 297.807 3.320 20 0 CGADHM Cc1csc([N-]C(=O)c2nc(Cl)sc2Cl)n1 ZINC000816834402 632056104 /nfs/dbraw/zinc/05/61/04/632056104.db2.gz QNMXQWSEGJNHIU-UHFFFAOYSA-N -1 3 294.188 3.467 20 0 CGADHM CC[C@@H](C)CONC(=O)c1ccc(C(C)C)cc1[O-] ZINC000816978242 632067272 /nfs/dbraw/zinc/06/72/72/632067272.db2.gz PQLAULCRMHQRIC-LLVKDONJSA-N -1 3 265.353 3.223 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)C1(Cc2ccccc2)CC1 ZINC000816979655 632068598 /nfs/dbraw/zinc/06/85/98/632068598.db2.gz UIHPNGFNDNZJFO-CYBMUJFWSA-N -1 3 261.365 3.103 20 0 CGADHM Cc1ccc(CCCCC(=O)[N-]OCC2CC2)cc1 ZINC000817355229 632129936 /nfs/dbraw/zinc/12/99/36/632129936.db2.gz VUYOFZSVJRAJIS-UHFFFAOYSA-N -1 3 261.365 3.166 20 0 CGADHM O=C(CCC(=O)c1ccc(Cl)cc1)[N-]OCCC1CC1 ZINC000817378923 632135022 /nfs/dbraw/zinc/13/50/22/632135022.db2.gz CLUHGUFDXOJFEA-UHFFFAOYSA-N -1 3 295.766 3.151 20 0 CGADHM O=C(CCSc1ccccc1F)[N-]OCCC1CC1 ZINC000817393432 632137456 /nfs/dbraw/zinc/13/74/56/632137456.db2.gz QBYIAUWZVDZCNM-UHFFFAOYSA-N -1 3 283.368 3.156 20 0 CGADHM COc1ccccc1C[C@@H](C)CC(=O)[N-]OCCC1CC1 ZINC000817437360 632157082 /nfs/dbraw/zinc/15/70/82/632157082.db2.gz KXGDHHDEXVEIOZ-CYBMUJFWSA-N -1 3 291.391 3.112 20 0 CGADHM Nc1ccc(C(=O)NCCCCCc2ccccc2)c([O-])c1 ZINC000817933455 632235928 /nfs/dbraw/zinc/23/59/28/632235928.db2.gz FCXLQLIWHKTUQT-UHFFFAOYSA-N -1 3 298.386 3.117 20 0 CGADHM CCCC[C@@H](CCC)NC(=O)c1ccc(N)cc1[O-] ZINC000817957588 632251863 /nfs/dbraw/zinc/25/18/63/632251863.db2.gz DDYSVVADJFVUAX-GFCCVEGCSA-N -1 3 264.369 3.063 20 0 CGADHM O=C(CCc1ccccc1C(F)(F)F)[N-]OCC1CC1 ZINC000868554235 633336037 /nfs/dbraw/zinc/33/60/37/633336037.db2.gz QVSVOYKXEYBYNI-UHFFFAOYSA-N -1 3 287.281 3.096 20 0 CGADHM O=C(CCc1ccc(C(F)F)cc1)[N-]OC1CCC1 ZINC000868658929 633349414 /nfs/dbraw/zinc/34/94/14/633349414.db2.gz NGYLZKCLSOGSIB-UHFFFAOYSA-N -1 3 269.291 3.157 20 0 CGADHM CC(C)O[N-]C(=O)CCc1ccc(F)c2ccccc12 ZINC000868658943 633349502 /nfs/dbraw/zinc/34/95/02/633349502.db2.gz NRTKBRUEERSDGR-UHFFFAOYSA-N -1 3 275.323 3.368 20 0 CGADHM CC(C)(F)CNC(=O)c1cc2sccc2c([O-])c1 ZINC000869622836 633489722 /nfs/dbraw/zinc/48/97/22/633489722.db2.gz DYNHIFMPEKDFHQ-UHFFFAOYSA-N -1 3 267.325 3.085 20 0 CGADHM CC1(C)CCC(O)(CNCc2c(F)ccc([O-])c2F)CC1 ZINC000827515735 633496120 /nfs/dbraw/zinc/49/61/20/633496120.db2.gz PBOBHDCEZHIPRT-UHFFFAOYSA-N -1 3 299.361 3.091 20 0 CGADHM CO[C@@H]1CC[C@H](C)N(C(=O)c2ccc(C(C)C)cc2[O-])C1 ZINC000870720292 633635338 /nfs/dbraw/zinc/63/53/38/633635338.db2.gz OJLDQJBEIBGIBT-GXTWGEPZSA-N -1 3 291.391 3.155 20 0 CGADHM CO[C@H]1CC[C@H](C)N(C(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000870723882 633635962 /nfs/dbraw/zinc/63/59/62/633635962.db2.gz HNUBXYTVQOVXFY-WFASDCNBSA-N -1 3 299.370 3.185 20 0 CGADHM COC(C)(C)CCNC(=O)c1cc2sccc2c([O-])c1 ZINC000871258822 633739341 /nfs/dbraw/zinc/73/93/41/633739341.db2.gz WJJXSVGOLJQPOF-UHFFFAOYSA-N -1 3 293.388 3.152 20 0 CGADHM CC1([N-]C(=O)C(F)(F)c2ccccc2F)CC(F)(F)C1 ZINC000871764813 633856551 /nfs/dbraw/zinc/85/65/51/633856551.db2.gz KVQLDLDAYKCCAX-UHFFFAOYSA-N -1 3 293.235 3.222 20 0 CGADHM CC[C@@H](C)N(OC)C(=O)c1ccc(C(C)C)cc1[O-] ZINC000830474276 633865673 /nfs/dbraw/zinc/86/56/73/633865673.db2.gz LHKSQJHGUIRLLZ-LLVKDONJSA-N -1 3 265.353 3.318 20 0 CGADHM Cc1c2occ([O-])c2ccc1OCCC1SCCS1 ZINC000871800297 633871142 /nfs/dbraw/zinc/87/11/42/633871142.db2.gz CPOYWOKPTHBOBU-UHFFFAOYSA-N -1 3 296.413 3.145 20 0 CGADHM CCOc1cccc(F)c1CN[C@H](CC=C(C)C)C(=O)[O-] ZINC000871875116 633905884 /nfs/dbraw/zinc/90/58/84/633905884.db2.gz FADKENFTYXEUIW-CQSZACIVSA-N -1 3 295.354 3.124 20 0 CGADHM Cc1nc(C)c(CN[C@H](C)c2cccc([O-])c2F)s1 ZINC000872039414 633959044 /nfs/dbraw/zinc/95/90/44/633959044.db2.gz SFBOEIJUXMMWBJ-MRVPVSSYSA-N -1 3 280.368 3.455 20 0 CGADHM CO[C@@H]1CC[C@H](C)N(Cc2c(Cl)cccc2C(=O)[O-])C1 ZINC000872161719 634072277 /nfs/dbraw/zinc/07/22/77/634072277.db2.gz ZVEOLQGYDQRKTD-WDEREUQCSA-N -1 3 297.782 3.038 20 0 CGADHM Cc1ccc(C2(C[N-]C(=O)C(F)(F)F)CC2)c(C)c1 ZINC000833390536 634119545 /nfs/dbraw/zinc/11/95/45/634119545.db2.gz ZPMTWEXBCTXYIR-UHFFFAOYSA-N -1 3 271.282 3.014 20 0 CGADHM CCOc1cccc(F)c1CNCc1ccc([O-])c(F)c1 ZINC000873056483 634238271 /nfs/dbraw/zinc/23/82/71/634238271.db2.gz FUNSSIXJDBRAJJ-UHFFFAOYSA-N -1 3 293.313 3.359 20 0 CGADHM CC[C@@H](OC(=O)c1cc2cc(Cl)sc2[n-]1)C(C)=O ZINC000873393698 634357655 /nfs/dbraw/zinc/35/76/55/634357655.db2.gz IUSXQARICAAYRH-SECBINFHSA-N -1 3 285.752 3.407 20 0 CGADHM O=C(CCCc1ccccc1)[N-]OC[C@@H]1CCC(F)(F)C1 ZINC000842027762 635258954 /nfs/dbraw/zinc/25/89/54/635258954.db2.gz KTBDRDNMVWHFBL-CQSZACIVSA-N -1 3 297.345 3.493 20 0 CGADHM CC(C)(C)CC(=O)[N-]OCCCCOC(C)(C)C ZINC000842062162 635271660 /nfs/dbraw/zinc/27/16/60/635271660.db2.gz ZFZRJPVDFTWSTP-UHFFFAOYSA-N -1 3 259.390 3.066 20 0 CGADHM CC[C@H](COC(=O)c1cc2cc(Cl)sc2[n-]1)OC ZINC000842101633 635287217 /nfs/dbraw/zinc/28/72/17/635287217.db2.gz UYIYRPIQFKUNCW-MRVPVSSYSA-N -1 3 287.768 3.465 20 0 CGADHM CCCO[N-]C(=O)CCc1nc2cc(Cl)ccc2s1 ZINC000844086569 635818232 /nfs/dbraw/zinc/81/82/32/635818232.db2.gz MQGXVJQNSPVMGS-UHFFFAOYSA-N -1 3 298.795 3.340 20 0 CGADHM CC[C@@H]1CN(C(=O)c2cc([O-])c3ccccc3c2)[C@@H](C)CO1 ZINC000846434751 636184688 /nfs/dbraw/zinc/18/46/88/636184688.db2.gz SDIZBFXOMACBMS-SWLSCSKDSA-N -1 3 299.370 3.185 20 0 CGADHM CC(C)CSCc1nnc(-c2ccccc2[O-])o1 ZINC000882037732 636240646 /nfs/dbraw/zinc/24/06/46/636240646.db2.gz LJTCTSDNMLCTLC-UHFFFAOYSA-N -1 3 264.350 3.331 20 0 CGADHM COc1ccccc1CO[N-]C(=O)Cc1cc(C)cc(C)c1 ZINC000847176782 636358806 /nfs/dbraw/zinc/35/88/06/636358806.db2.gz GHPVZGAYTQUTQU-UHFFFAOYSA-N -1 3 299.370 3.103 20 0 CGADHM Cc1ccc(-c2nc(C=Cc3nccc(=O)[n-]3)cs2)cc1 ZINC000131794130 636750899 /nfs/dbraw/zinc/75/08/99/636750899.db2.gz UYJPFKXNCXRBDG-VOTSOKGWSA-N -1 3 295.367 3.372 20 0 CGADHM CCO[N-]C(=O)CCC(=O)c1cc(Cl)sc1Cl ZINC000087047746 636790041 /nfs/dbraw/zinc/79/00/41/636790041.db2.gz JEWNCCHTLHDNPN-UHFFFAOYSA-N -1 3 296.175 3.086 20 0 CGADHM C[C@H](OC(=O)c1cccc2nn[n-]c21)c1cccc(F)c1 ZINC000800208818 636957526 /nfs/dbraw/zinc/95/75/26/636957526.db2.gz NFWKUBGPXIFEPN-VIFPVBQESA-N -1 3 285.278 3.015 20 0 CGADHM C[C@H](OC(=O)c1cccc2[n-]nnc21)c1cccc(F)c1 ZINC000800208818 636957537 /nfs/dbraw/zinc/95/75/37/636957537.db2.gz NFWKUBGPXIFEPN-VIFPVBQESA-N -1 3 285.278 3.015 20 0 CGADHM C[C@H](OC(=O)c1cccc2n[n-]nc21)c1cccc(F)c1 ZINC000800208818 636957547 /nfs/dbraw/zinc/95/75/47/636957547.db2.gz NFWKUBGPXIFEPN-VIFPVBQESA-N -1 3 285.278 3.015 20 0 CGADHM CCO[N-]C(=O)Cc1coc2ccc3ccccc3c12 ZINC000138513579 637617399 /nfs/dbraw/zinc/61/73/99/637617399.db2.gz HJRXDEWGMFQRIC-UHFFFAOYSA-N -1 3 269.300 3.196 20 0 CGADHM CCCc1ccc(NC(=O)c2c([O-])cccc2O)cc1 ZINC000220217217 637633093 /nfs/dbraw/zinc/63/30/93/637633093.db2.gz JBBAQPJNAJHKMY-UHFFFAOYSA-N -1 3 271.316 3.303 20 0 CGADHM CCc1[n-]n([C@@H]2CC(C)(C)OC2(C)C)c(=O)c1C(C)C ZINC000887297212 637792054 /nfs/dbraw/zinc/79/20/54/637792054.db2.gz WSKYWLMEGIQELC-OLZOCXBDSA-N -1 3 280.412 3.213 20 0 CGADHM CO[C@@H](CSCc1nc(C)cc(=O)[n-]1)C1CCCCC1 ZINC000853770507 637916262 /nfs/dbraw/zinc/91/62/62/637916262.db2.gz QRWRDJAHSMRRNL-ZDUSSCGKSA-N -1 3 296.436 3.319 20 0 CGADHM CC(C)(C)Oc1cccc(-c2ccc(=O)[n-]c2F)n1 ZINC000854189007 638012436 /nfs/dbraw/zinc/01/24/36/638012436.db2.gz GRQWQWCIPOLLLA-UHFFFAOYSA-N -1 3 262.284 3.166 20 0 CGADHM O=C(N[C@@H]1C[C@H]2CCC[C@@H]21)c1cc([O-])c2ccccc2c1 ZINC000889607652 638074855 /nfs/dbraw/zinc/07/48/55/638074855.db2.gz ZDGOJJZDLPGASA-IVMMDQJWSA-N -1 3 281.355 3.464 20 0 CGADHM CCC(F)(F)C(=O)[N-][C@H](c1ccccc1)C(F)F ZINC000854637099 638080776 /nfs/dbraw/zinc/08/07/76/638080776.db2.gz OLMAAKVZIOLGAS-SECBINFHSA-N -1 3 263.234 3.154 20 0 CGADHM O=C(CCc1c[nH]c2ccccc12)[N-]OCc1ccccc1 ZINC000010318823 638203908 /nfs/dbraw/zinc/20/39/08/638203908.db2.gz JLPLXBYCJLPXPG-UHFFFAOYSA-N -1 3 294.354 3.349 20 0 CGADHM O=C(Cc1ccc(Cl)cc1Cl)[N-]OCC1CCC1 ZINC000856343092 638344832 /nfs/dbraw/zinc/34/48/32/638344832.db2.gz UEOWQEGPLPCBGU-UHFFFAOYSA-N -1 3 288.174 3.384 20 0 CGADHM O=C(C[C@H]1OCc2cc(Cl)ccc21)[N-]OCC1CCC1 ZINC000856342674 638345109 /nfs/dbraw/zinc/34/51/09/638345109.db2.gz WVSSWWXBSNSHFY-CQSZACIVSA-N -1 3 295.766 3.149 20 0 CGADHM O=C(CCc1cccc(OC(F)F)c1)[N-]OCC1CCC1 ZINC000856343853 638346240 /nfs/dbraw/zinc/34/62/40/638346240.db2.gz BUMFNYGEBWMQQJ-UHFFFAOYSA-N -1 3 299.317 3.069 20 0 CGADHM Cc1oc2ccccc2c1CC(=O)[N-]OCC1CCC1 ZINC000856349995 638349461 /nfs/dbraw/zinc/34/94/61/638349461.db2.gz NRWPLSAOOAWYMI-UHFFFAOYSA-N -1 3 273.332 3.132 20 0 CGADHM O=C(C[C@H]1CCc2ccccc2C1)[N-]OCC1CCC1 ZINC000856349246 638350395 /nfs/dbraw/zinc/35/03/95/638350395.db2.gz LJLNOSOWNFDJGB-AWEZNQCLSA-N -1 3 273.376 3.030 20 0 CGADHM O=C(CCCc1ccc(F)cc1)[N-]OCc1ccccc1 ZINC000857432634 638505636 /nfs/dbraw/zinc/50/56/36/638505636.db2.gz GWJUADXBRFJIBI-UHFFFAOYSA-N -1 3 287.334 3.396 20 0 CGADHM CCCONC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000857547355 638516158 /nfs/dbraw/zinc/51/61/58/638516158.db2.gz ZXYSDMXLRWBQED-UHFFFAOYSA-N -1 3 285.343 3.054 20 0 CGADHM Cc1nnc([C@@H](C)N[C@@H](C)c2cc([O-])cc(F)c2)s1 ZINC000926166921 638727880 /nfs/dbraw/zinc/72/78/80/638727880.db2.gz XJAHNSQPOCKQJI-JGVFFNPUSA-N -1 3 281.356 3.103 20 0 CGADHM COc1csc(C(=O)[N-]c2c(C)noc2C(C)C)c1 ZINC000928789425 638892354 /nfs/dbraw/zinc/89/23/54/638892354.db2.gz NWRKBVXVVGWPKM-UHFFFAOYSA-N -1 3 280.349 3.429 20 0 CGADHM CSCCO[N-]C(=O)Cc1coc2cc(Cl)ccc12 ZINC000861470421 639587145 /nfs/dbraw/zinc/58/71/45/639587145.db2.gz GRYZZJUXTOJINX-UHFFFAOYSA-N -1 3 299.779 3.040 20 0 CGADHM O=C(Cc1cc(Cl)cc(Cl)c1)[N-]OCCC1CC1 ZINC000861824420 639616458 /nfs/dbraw/zinc/61/64/58/639616458.db2.gz SZCOQOVMQWPQEM-UHFFFAOYSA-N -1 3 288.174 3.384 20 0 CGADHM CC(C)[C@H]1C[C@@H](C(=O)Nc2cc(Cl)ccc2[O-])CCO1 ZINC000935015691 639731229 /nfs/dbraw/zinc/73/12/29/639731229.db2.gz ANBYIAJDJOXKGS-IINYFYTJSA-N -1 3 297.782 3.435 20 0 CGADHM CCCC[C@@H](Nc1ccnc2ccccc21)C(=O)[O-] ZINC000041719848 639907760 /nfs/dbraw/zinc/90/77/60/639907760.db2.gz JLXRDCZBIMAMEJ-CQSZACIVSA-N -1 3 258.321 3.290 20 0 CGADHM Cc1ccc(CC(=O)[N-]OCCCOc2ccccc2)cc1 ZINC000156845467 639984381 /nfs/dbraw/zinc/98/43/81/639984381.db2.gz VKHIJSTUMURZRB-UHFFFAOYSA-N -1 3 299.370 3.054 20 0 CGADHM C[C@@H]1CC[C@@H](COC(=O)c2cc(Cl)c(Cl)[n-]2)O1 ZINC000158719193 640015475 /nfs/dbraw/zinc/01/54/75/640015475.db2.gz VCULDLGJTOPITP-RQJHMYQMSA-N -1 3 278.135 3.046 20 0 CGADHM C[C@H]1CC[C@@H](COC(=O)c2cc(Cl)c(Cl)[n-]2)O1 ZINC000158719337 640016256 /nfs/dbraw/zinc/01/62/56/640016256.db2.gz VCULDLGJTOPITP-BQBZGAKWSA-N -1 3 278.135 3.046 20 0 CGADHM O=C(/C=C/Sc1ccccc1)Nc1ncccc1[O-] ZINC000192735739 640401138 /nfs/dbraw/zinc/40/11/38/640401138.db2.gz MXBFODRQLGHFIN-CSKARUKUSA-N -1 3 272.329 3.032 20 0 CGADHM Cc1ccc(O)c([N-]S(=O)(=O)/C=C/c2ccccc2)c1 ZINC000080971456 640512480 /nfs/dbraw/zinc/51/24/80/640512480.db2.gz GAOLTGRITVGVIS-MDZDMXLPSA-N -1 3 289.356 3.113 20 0 CGADHM CC(=NNC(=O)c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000254507589 640912684 /nfs/dbraw/zinc/91/26/84/640912684.db2.gz ZQAYLTHKLYBTAW-UHFFFAOYSA-N -1 3 288.734 3.200 20 0 CGADHM [O-]c1ccc(-c2ncc(F)cn2)c(C(F)(F)F)c1 ZINC001250475170 805639943 /nfs/dbraw/zinc/63/99/43/805639943.db2.gz CAMNSXUBLZVHBN-UHFFFAOYSA-N -1 3 258.174 3.007 20 0 CGADHM O=c1ccc(-c2nc3cc(Cl)cc(F)c3[n-]2)c[nH]1 ZINC001250528894 805678654 /nfs/dbraw/zinc/67/86/54/805678654.db2.gz YKFRSGOCVZMDQC-UHFFFAOYSA-N -1 3 263.659 3.123 20 0 CGADHM O=c1ccc(-c2nc3c(cc(Cl)cc3F)[n-]2)c[nH]1 ZINC001250528894 805678658 /nfs/dbraw/zinc/67/86/58/805678658.db2.gz YKFRSGOCVZMDQC-UHFFFAOYSA-N -1 3 263.659 3.123 20 0 CGADHM Cc1cc(-c2ccc3c(c2)OCCO3)cc([O-])c1F ZINC001250626949 805735964 /nfs/dbraw/zinc/73/59/64/805735964.db2.gz MYLAYHNBTPZGMI-UHFFFAOYSA-N -1 3 260.264 3.278 20 0 CGADHM Cc1cnc(-c2nc3c([n-]2)c(F)c(F)cc3F)s1 ZINC001250809945 805780980 /nfs/dbraw/zinc/78/09/80/805780980.db2.gz ZWSVAWOMFYBBCN-UHFFFAOYSA-N -1 3 269.251 3.412 20 0 CGADHM Cc1cnc(-c2nc3c([n-]2)c(F)cc(F)c3F)s1 ZINC001250809945 805780981 /nfs/dbraw/zinc/78/09/81/805780981.db2.gz ZWSVAWOMFYBBCN-UHFFFAOYSA-N -1 3 269.251 3.412 20 0 CGADHM COCOc1ccc2[nH]c(-c3ccc([O-])cc3F)nc2c1 ZINC001250845610 805786465 /nfs/dbraw/zinc/78/64/65/805786465.db2.gz GYTLMTGRNOFEAR-UHFFFAOYSA-N -1 3 288.278 3.057 20 0 CGADHM [O-]c1ccc(F)cc1-c1nc2c(cc(F)c(F)c2F)[nH]1 ZINC001250837952 805787031 /nfs/dbraw/zinc/78/70/31/805787031.db2.gz RMINPSJMSBZZQQ-UHFFFAOYSA-N -1 3 282.196 3.492 20 0 CGADHM [O-]c1cc(F)c(F)cc1-c1nc2cc3c(cc2[nH]1)OCC3 ZINC001250967584 805811939 /nfs/dbraw/zinc/81/19/39/805811939.db2.gz VWGHDNSBNPAGNI-UHFFFAOYSA-N -1 3 288.253 3.149 20 0 CGADHM [O-]c1cc(Cl)c(NC[C@@H](O)C(F)(F)F)cc1Cl ZINC001250981511 805816724 /nfs/dbraw/zinc/81/67/24/805816724.db2.gz SFULCEFNJJZSFK-MRVPVSSYSA-N -1 3 290.068 3.034 20 0 CGADHM O=c1ccc(-c2nc3cc(-c4cccs4)ccc3[n-]2)n[nH]1 ZINC001251060535 805838408 /nfs/dbraw/zinc/83/84/08/805838408.db2.gz QIOYRRWHBMUUSA-UHFFFAOYSA-N -1 3 294.339 3.454 20 0 CGADHM Fc1cc(F)c(F)c2nc(-c3cncc(Cl)n3)[n-]c21 ZINC001251349116 805886482 /nfs/dbraw/zinc/88/64/82/805886482.db2.gz KJZRKHMFUCXQBO-UHFFFAOYSA-N -1 3 284.628 3.091 20 0 CGADHM CN(C)c1ccc2[nH]c(-c3ccc(F)c([O-])c3)nc2c1 ZINC001251477694 805899637 /nfs/dbraw/zinc/89/96/37/805899637.db2.gz RZXSFLAVAVLOEN-UHFFFAOYSA-N -1 3 271.295 3.141 20 0 CGADHM Cn1c(-c2cc([O-])cc(F)c2)nc2ccc(F)c(F)c21 ZINC001251570013 805907586 /nfs/dbraw/zinc/90/75/86/805907586.db2.gz PRKFKPJKXQOUBZ-UHFFFAOYSA-N -1 3 278.233 3.363 20 0 CGADHM [O-]c1cccc(NC[C@@H](O)c2ccccc2)c1Cl ZINC001251997667 805968436 /nfs/dbraw/zinc/96/84/36/805968436.db2.gz ICMHCGRPFDVIDS-CYBMUJFWSA-N -1 3 263.724 3.191 20 0 CGADHM CC(C)(C)c1ccc(NCc2ncccc2[O-])nc1 ZINC001158775703 806001234 /nfs/dbraw/zinc/00/12/34/806001234.db2.gz JMIGPZKBVATTPY-UHFFFAOYSA-N -1 3 257.337 3.092 20 0 CGADHM [O-]c1cccnc1CNc1nccc2c(F)cccc21 ZINC001158774224 806000776 /nfs/dbraw/zinc/00/07/76/806000776.db2.gz GYGFMRYWNWZBBS-UHFFFAOYSA-N -1 3 269.279 3.087 20 0 CGADHM [O-]c1cccnc1CNc1ncc(Cl)cc1Cl ZINC001158771183 806001020 /nfs/dbraw/zinc/00/10/20/806001020.db2.gz WSSFVNFTKBVEEL-UHFFFAOYSA-N -1 3 270.119 3.101 20 0 CGADHM CC(C)(C)c1ccc(-c2nnc(-c3cnc[n-]c3=O)o2)cc1 ZINC001252828570 806126715 /nfs/dbraw/zinc/12/67/15/806126715.db2.gz ZLDMEZAVTCRIGH-UHFFFAOYSA-N -1 3 296.330 3.197 20 0 CGADHM O=C(Nc1c([O-])cccc1Cl)c1nccc2cccnc21 ZINC001159658157 806142329 /nfs/dbraw/zinc/14/23/29/806142329.db2.gz QSWSKKDBUZJNQN-UHFFFAOYSA-N -1 3 299.717 3.241 20 0 CGADHM CCS(=O)(=O)[N-]c1ccccc1-c1ccc(C)o1 ZINC001253361055 806209369 /nfs/dbraw/zinc/20/93/69/806209369.db2.gz GUZJQDJNTROSNL-UHFFFAOYSA-N -1 3 265.334 3.017 20 0 CGADHM Cc1cccc(-c2nnc(-c3cc(O)ccc3[O-])o2)c1 ZINC001253711780 806282574 /nfs/dbraw/zinc/28/25/74/806282574.db2.gz VQDWUIZGTRPLNZ-UHFFFAOYSA-N -1 3 268.272 3.123 20 0 CGADHM CC(C)c1ccc(C(=O)N[C@@H]2CS[C@H](C)C2)c([O-])c1 ZINC001161816674 806462754 /nfs/dbraw/zinc/46/27/54/806462754.db2.gz OVMMUTDHTZDEIL-PWSUYJOCSA-N -1 3 279.405 3.139 20 0 CGADHM CC(C)c1ccc(-c2nnc(-c3cnc[n-]c3=O)o2)cc1 ZINC001254873496 806504088 /nfs/dbraw/zinc/50/40/88/806504088.db2.gz XUYFNBFXUMEGON-UHFFFAOYSA-N -1 3 282.303 3.023 20 0 CGADHM Cc1ccc(NC[C@@H]2CCCC[C@@H]2C)cc1-c1nnn[n-]1 ZINC001162529485 806613017 /nfs/dbraw/zinc/61/30/17/806613017.db2.gz AWPNQVJLIQFTFJ-AAEUAGOBSA-N -1 3 285.395 3.413 20 0 CGADHM Cc1ccc(NC[C@@H]2CCCC[C@@H]2C)cc1-c1nn[n-]n1 ZINC001162529485 806613020 /nfs/dbraw/zinc/61/30/20/806613020.db2.gz AWPNQVJLIQFTFJ-AAEUAGOBSA-N -1 3 285.395 3.413 20 0 CGADHM Cc1ccc(NC(=O)Nc2ccc([O-])c(F)c2)cc1 ZINC000085200867 798942839 /nfs/dbraw/zinc/94/28/39/798942839.db2.gz SEXGHUXJZIBZJZ-UHFFFAOYSA-N -1 3 260.268 3.484 20 0 CGADHM C/C(=C/C(=O)Nc1ccc(Br)cc1[O-])C1CC1 ZINC000127921119 799016015 /nfs/dbraw/zinc/01/60/15/799016015.db2.gz RVDCBBZTOGLGGA-VURMDHGXSA-N -1 3 296.164 3.450 20 0 CGADHM C[C@@H](NC1CCC(C)CC1)c1ncc(C(=O)[O-])s1 ZINC000315403085 799236502 /nfs/dbraw/zinc/23/65/02/799236502.db2.gz VDLPAPLUDYFSDG-HWOCKDDLSA-N -1 3 268.382 3.071 20 0 CGADHM C[C@H](NC(=O)c1cc([O-])c2ccccc2c1)c1ccccn1 ZINC000349250838 799303858 /nfs/dbraw/zinc/30/38/58/799303858.db2.gz HMYVYRSMRXPTAZ-LBPRGKRZSA-N -1 3 292.338 3.431 20 0 CGADHM COc1cc(F)cc(NC(=O)c2cc([O-])ccc2Cl)c1 ZINC000383509259 799404992 /nfs/dbraw/zinc/40/49/92/799404992.db2.gz FARDIBGUFPPVKF-UHFFFAOYSA-N -1 3 295.697 3.446 20 0 CGADHM CN[C@H](CC(C)(C)C)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000386709469 799439067 /nfs/dbraw/zinc/43/90/67/799439067.db2.gz WQGDMYUBLVFBMU-LLVKDONJSA-N -1 3 293.342 3.278 20 0 CGADHM CCN(Cc1cccs1)C(=O)c1c([O-])cccc1OC ZINC000405336937 799582317 /nfs/dbraw/zinc/58/23/17/799582317.db2.gz FVNLNXSYNLHWDW-UHFFFAOYSA-N -1 3 291.372 3.125 20 0 CGADHM CSCCCCCCNC(=O)c1c(C)cccc1[O-] ZINC000706670097 799964369 /nfs/dbraw/zinc/96/43/69/799964369.db2.gz HUJZPWPKLOEKLF-UHFFFAOYSA-N -1 3 281.421 3.354 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CC[C@H]2CCCC[C@@H]2C1 ZINC000706636856 799964733 /nfs/dbraw/zinc/96/47/33/799964733.db2.gz FBMBELXMAWHUGF-ZIAGYGMSSA-N -1 3 273.376 3.353 20 0 CGADHM C[C@]1(C(=O)[O-])CCN(Cc2ccsc2C(F)(F)F)C1 ZINC000707740558 799979373 /nfs/dbraw/zinc/97/93/73/799979373.db2.gz LVUJOIAXZMWEDH-NSHDSACASA-N -1 3 293.310 3.064 20 0 CGADHM CCN(CCC(F)(F)F)Cc1ccccc1CC(=O)[O-] ZINC000708358322 799987394 /nfs/dbraw/zinc/98/73/94/799987394.db2.gz DYQIGBJQJVQIDM-UHFFFAOYSA-N -1 3 289.297 3.088 20 0 CGADHM CCCC(CCC)[N-]S(=O)(=O)c1ccc(F)cc1F ZINC001256094040 806818037 /nfs/dbraw/zinc/81/80/37/806818037.db2.gz AOQVNDDMWGSZBH-UHFFFAOYSA-N -1 3 291.363 3.212 20 0 CGADHM Cc1cccc(CO[N-]C(=O)C[C@H]2CCCC[C@@H]2C)n1 ZINC000827805671 800479123 /nfs/dbraw/zinc/47/91/23/800479123.db2.gz CRSJNNPMEHPVJW-GXTWGEPZSA-N -1 3 276.380 3.154 20 0 CGADHM C[C@H]1C[C@@H]1c1nnc(-c2cc3cccc(O)c3cc2[O-])o1 ZINC001256626378 806930782 /nfs/dbraw/zinc/93/07/82/806930782.db2.gz RCYOZTQRJIJOFU-WPRPVWTQSA-N -1 3 282.299 3.424 20 0 CGADHM C[C@@H]1C[C@H]1c1nnc(-c2cc3cccc(O)c3cc2[O-])o1 ZINC001256626375 806930970 /nfs/dbraw/zinc/93/09/70/806930970.db2.gz RCYOZTQRJIJOFU-PSASIEDQSA-N -1 3 282.299 3.424 20 0 CGADHM O=C(Nc1cccc([O-])c1F)[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001118750500 802597018 /nfs/dbraw/zinc/59/70/18/802597018.db2.gz DHSCTQPPIBCCNL-HRDYMLBCSA-N -1 3 285.265 3.151 20 0 CGADHM CC[C@H](C)n1nccc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC001123775176 802969357 /nfs/dbraw/zinc/96/93/57/802969357.db2.gz SABZRUWFERGCSV-VIFPVBQESA-N -1 3 293.754 3.465 20 0 CGADHM CC(=O)Nc1ncc(-c2c([O-])cccc2Cl)cc1C ZINC001244047366 803159583 /nfs/dbraw/zinc/15/95/83/803159583.db2.gz ITMXOMFVXJOLMX-UHFFFAOYSA-N -1 3 276.723 3.374 20 0 CGADHM CCOC(=O)Cc1ccncc1-c1c([O-])cccc1Cl ZINC001244049184 803160222 /nfs/dbraw/zinc/16/02/22/803160222.db2.gz VKYBOUUTHPSGDA-UHFFFAOYSA-N -1 3 291.734 3.213 20 0 CGADHM Cc1cc(-c2nnn[n-]2)ccc1-c1cc(C2CC2)cnc1C ZINC001244145874 803207781 /nfs/dbraw/zinc/20/77/81/803207781.db2.gz CPDKVHVYVVABHM-UHFFFAOYSA-N -1 3 291.358 3.423 20 0 CGADHM Cc1cc(-c2nn[n-]n2)ccc1-c1cc(C2CC2)cnc1C ZINC001244145874 803207788 /nfs/dbraw/zinc/20/77/88/803207788.db2.gz CPDKVHVYVVABHM-UHFFFAOYSA-N -1 3 291.358 3.423 20 0 CGADHM CSc1cc(F)ccc1[N-]C(=O)c1conc1C ZINC001130090586 803267818 /nfs/dbraw/zinc/26/78/18/803267818.db2.gz NSDOGVKUWVJTGC-UHFFFAOYSA-N -1 3 266.297 3.096 20 0 CGADHM CSc1cc(F)ccc1[N-]C(=O)c1ocnc1C ZINC001130291224 803277775 /nfs/dbraw/zinc/27/77/75/803277775.db2.gz YXWZWYGRFWYLHF-UHFFFAOYSA-N -1 3 266.297 3.096 20 0 CGADHM Cc1cc(-c2cc(OC(F)(F)F)ccc2[O-])ncn1 ZINC001244456792 803378564 /nfs/dbraw/zinc/37/85/64/803378564.db2.gz RQDFMGPEVGDACS-UHFFFAOYSA-N -1 3 270.210 3.056 20 0 CGADHM Cc1ncnc(-c2cc(OC(F)(F)F)ccc2[O-])c1C ZINC001244455888 803378926 /nfs/dbraw/zinc/37/89/26/803378926.db2.gz LYPZRMNILAZOJT-UHFFFAOYSA-N -1 3 284.237 3.365 20 0 CGADHM [O-]c1ccc(OC(F)(F)F)cc1-c1cc2c(nn1)CCC2 ZINC001244458817 803379780 /nfs/dbraw/zinc/37/97/80/803379780.db2.gz VWVZVSSRVUUATB-UHFFFAOYSA-N -1 3 296.248 3.237 20 0 CGADHM Cc1c(-c2ccc(Cl)cc2[O-])cnc2nccnc12 ZINC001244469324 803385350 /nfs/dbraw/zinc/38/53/50/803385350.db2.gz HKCAUBIPIWROFF-UHFFFAOYSA-N -1 3 271.707 3.359 20 0 CGADHM O=c1ocnc2ccc(-c3ccc(Cl)cc3[O-])cc12 ZINC001244470237 803387560 /nfs/dbraw/zinc/38/75/60/803387560.db2.gz WZLKFXXHRHFNCS-UHFFFAOYSA-N -1 3 273.675 3.214 20 0 CGADHM Cc1cc(-c2cnc3ccccc3n2)cc([O-])c1F ZINC001244496835 803403829 /nfs/dbraw/zinc/40/38/29/803403829.db2.gz WCRKFOQXZLGGHD-UHFFFAOYSA-N -1 3 254.264 3.450 20 0 CGADHM Cc1cc(-c2ccc(-n3cccc3)nn2)cc([O-])c1F ZINC001244496855 803404187 /nfs/dbraw/zinc/40/41/87/803404187.db2.gz WVBXYKJLXODNPR-UHFFFAOYSA-N -1 3 269.279 3.087 20 0 CGADHM Cc1cc(-c2nc(C)nc3c2CCC3)cc([O-])c1F ZINC001244507960 803411129 /nfs/dbraw/zinc/41/11/29/803411129.db2.gz RRQYORVYMOQIME-UHFFFAOYSA-N -1 3 258.296 3.094 20 0 CGADHM Cc1cc(-c2cncc(N3CCCCC3)n2)cc([O-])c1F ZINC001244507414 803411432 /nfs/dbraw/zinc/41/14/32/803411432.db2.gz NHTMWBSAWAVJOG-UHFFFAOYSA-N -1 3 287.338 3.287 20 0 CGADHM Cc1cc(-c2ccc3oc(C(N)=O)cc3c2)cc([O-])c1F ZINC001244519142 803415147 /nfs/dbraw/zinc/41/51/47/803415147.db2.gz CVXXIKDTMKZMMV-UHFFFAOYSA-N -1 3 285.274 3.352 20 0 CGADHM Cc1cc(-c2cccn(CC3CC3)c2=O)cc([O-])c1F ZINC001244524568 803417558 /nfs/dbraw/zinc/41/75/58/803417558.db2.gz CFCURCDOPYEKED-UHFFFAOYSA-N -1 3 273.307 3.078 20 0 CGADHM COCOc1ccc(OC)cc1-c1cc(C)c(F)c([O-])c1 ZINC001244526058 803418999 /nfs/dbraw/zinc/41/89/99/803418999.db2.gz ZJMBVBFJIBQXDY-UHFFFAOYSA-N -1 3 292.306 3.498 20 0 CGADHM [O-]c1c(Cl)ccc(-c2cncc3nc[nH]c32)c1F ZINC001244632084 803474704 /nfs/dbraw/zinc/47/47/04/803474704.db2.gz CNERSVVZUJBKFJ-UHFFFAOYSA-N -1 3 263.659 3.123 20 0 CGADHM OCc1ccc(-c2ccc3c(c2)[N-]C(=S)C3)c(F)c1 ZINC001244914096 803574284 /nfs/dbraw/zinc/57/42/84/803574284.db2.gz BXWHRRIHGFATGN-UHFFFAOYSA-N -1 3 273.332 3.280 20 0 CGADHM COc1cc(C)c(C)cc1-c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001245022756 803614755 /nfs/dbraw/zinc/61/47/55/803614755.db2.gz GHYCXVZMKFOINB-UHFFFAOYSA-N -1 3 298.321 3.298 20 0 CGADHM COc1cc(C)c(C)cc1-c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001245022756 803614757 /nfs/dbraw/zinc/61/47/57/803614757.db2.gz GHYCXVZMKFOINB-UHFFFAOYSA-N -1 3 298.321 3.298 20 0 CGADHM Cc1c(-c2cc(Cl)ccc2[O-])cnc2nccnc12 ZINC001245051247 803623034 /nfs/dbraw/zinc/62/30/34/803623034.db2.gz VJBUEALVKFDMCQ-UHFFFAOYSA-N -1 3 271.707 3.359 20 0 CGADHM [O-]c1ccc(Cl)cc1-c1cnc(N2CCCC2)nc1 ZINC001245050876 803623203 /nfs/dbraw/zinc/62/32/03/803623203.db2.gz PFCPXEDFTANMLZ-UHFFFAOYSA-N -1 3 275.739 3.103 20 0 CGADHM [O-]c1ccc(-c2ncc3cccnc3n2)c(Cl)c1 ZINC001245078424 803633783 /nfs/dbraw/zinc/63/37/83/803633783.db2.gz LTTLSGKVPMSNGY-UHFFFAOYSA-N -1 3 257.680 3.051 20 0 CGADHM [O-]c1ccc(-c2nccc(NCC3CC3)n2)c(Cl)c1 ZINC001245080101 803635510 /nfs/dbraw/zinc/63/55/10/803635510.db2.gz IUFWGPJAFYFSJB-UHFFFAOYSA-N -1 3 275.739 3.325 20 0 CGADHM [O-]c1ccc(-c2ccc(N3CCCC3)nn2)c(Cl)c1 ZINC001245081299 803636399 /nfs/dbraw/zinc/63/63/99/803636399.db2.gz DPUCXMQKCHDHGF-UHFFFAOYSA-N -1 3 275.739 3.103 20 0 CGADHM CCN(C(=O)c1c[n-]c2c(Cl)cccc2c1=O)C(C)C ZINC001136336629 803639888 /nfs/dbraw/zinc/63/98/88/803639888.db2.gz YXGMYZYPHJFOLH-UHFFFAOYSA-N -1 3 292.766 3.052 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])c1ocnc1C(F)F ZINC001137701746 803760292 /nfs/dbraw/zinc/76/02/92/803760292.db2.gz KBBKBNPUIIBOKW-UHFFFAOYSA-N -1 3 288.637 3.224 20 0 CGADHM CC/C=C/C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC001211979346 814962555 /nfs/dbraw/zinc/96/25/55/814962555.db2.gz XMCODQVAYCCHIL-ONEGZZNKSA-N -1 3 294.203 3.238 20 0 CGADHM [O-]c1cc(Cl)cnc1Nc1ccc(O)c(F)c1F ZINC001212000205 814964428 /nfs/dbraw/zinc/96/44/28/814964428.db2.gz SMXBGQYBMZRVFJ-UHFFFAOYSA-N -1 3 272.638 3.168 20 0 CGADHM [O-]c1ccc(Nc2ccc3c(c2)[C@H](O)CC3)c(F)c1F ZINC001212016401 814967779 /nfs/dbraw/zinc/96/77/79/814967779.db2.gz OJUBFVPIHSKAAW-GFCCVEGCSA-N -1 3 277.270 3.394 20 0 CGADHM Cc1ccc(-c2cc3ccc(F)cc3[nH]2)cc1-c1nnn[n-]1 ZINC001245590385 803838447 /nfs/dbraw/zinc/83/84/47/803838447.db2.gz OKGXQOUZLGCOEI-UHFFFAOYSA-N -1 3 293.305 3.463 20 0 CGADHM Cc1ccc(-c2cc3ccc(F)cc3[nH]2)cc1-c1nn[n-]n1 ZINC001245590385 803838455 /nfs/dbraw/zinc/83/84/55/803838455.db2.gz OKGXQOUZLGCOEI-UHFFFAOYSA-N -1 3 293.305 3.463 20 0 CGADHM Cc1ncc(-c2c([O-])cccc2F)c(C(F)(F)F)n1 ZINC001245655538 803888012 /nfs/dbraw/zinc/88/80/12/803888012.db2.gz CXFSSDSEGUCNRP-UHFFFAOYSA-N -1 3 272.201 3.316 20 0 CGADHM COCOc1ccc(C)cc1-c1c([O-])cccc1F ZINC001245655071 803889287 /nfs/dbraw/zinc/88/92/87/803889287.db2.gz JKSRXNOATZKMQY-UHFFFAOYSA-N -1 3 262.280 3.489 20 0 CGADHM O=C1Nc2cccc(-c3c([O-])cccc3F)c2C12CC2 ZINC001245656823 803890285 /nfs/dbraw/zinc/89/02/85/803890285.db2.gz ORICWUZMKODIQC-UHFFFAOYSA-N -1 3 269.275 3.182 20 0 CGADHM [O-]c1cccc(F)c1-c1ccc(OC(F)F)nc1 ZINC001245656703 803890510 /nfs/dbraw/zinc/89/05/10/803890510.db2.gz RTOSULALQNKHLH-UHFFFAOYSA-N -1 3 255.195 3.195 20 0 CGADHM Cn1c(=O)ccc2cc(-c3c([O-])cccc3F)ccc21 ZINC001245656992 803890545 /nfs/dbraw/zinc/89/05/45/803890545.db2.gz XVXOJVHXTUSFEZ-UHFFFAOYSA-N -1 3 269.275 3.050 20 0 CGADHM COC(=O)c1cc(C)ccc1-c1c([O-])cccc1F ZINC001245656500 803891209 /nfs/dbraw/zinc/89/12/09/803891209.db2.gz SIPVWCCJTVMOAQ-UHFFFAOYSA-N -1 3 260.264 3.293 20 0 CGADHM CCC[C@@H](C(=O)c1ccccc1)N(C)Cc1ncccc1[O-] ZINC001138395655 803913361 /nfs/dbraw/zinc/91/33/61/803913361.db2.gz BHBWAAOEVQMZBA-INIZCTEOSA-N -1 3 298.386 3.271 20 0 CGADHM CSc1ccc(F)c(-c2cccc(-c3nnn[n-]3)c2)c1 ZINC001245748458 803940274 /nfs/dbraw/zinc/94/02/74/803940274.db2.gz JCDUFVIMUATFPP-UHFFFAOYSA-N -1 3 286.335 3.395 20 0 CGADHM CSc1ccc(F)c(-c2cccc(-c3nn[n-]n3)c2)c1 ZINC001245748458 803940283 /nfs/dbraw/zinc/94/02/83/803940283.db2.gz JCDUFVIMUATFPP-UHFFFAOYSA-N -1 3 286.335 3.395 20 0 CGADHM Cc1ncc(Nc2ncc(Br)cc2[O-])s1 ZINC001212126523 814979840 /nfs/dbraw/zinc/97/98/40/814979840.db2.gz ZLHZJEMBALZJDN-UHFFFAOYSA-N -1 3 286.154 3.058 20 0 CGADHM CCc1ccc(C(=O)NN2CCCc3ccccc32)c([O-])c1 ZINC001138790417 804039263 /nfs/dbraw/zinc/03/92/63/804039263.db2.gz OQHVASJPNJQDKL-UHFFFAOYSA-N -1 3 296.370 3.052 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)[C@H]2CCC[C@@H](C)C2)o1 ZINC001212177739 814988658 /nfs/dbraw/zinc/98/86/58/814988658.db2.gz WRVJOTVUJIHTJX-WXHSDQCUSA-N -1 3 285.409 3.081 20 0 CGADHM C[C@@H]1C[C@@H](F)CN1Cc1cccc([O-])c1Br ZINC001140547500 804457719 /nfs/dbraw/zinc/45/77/19/804457719.db2.gz ILEWXAMDJKEHOO-PSASIEDQSA-N -1 3 288.160 3.087 20 0 CGADHM C[C@@]1(F)CCCCN(Cc2ccccc2C(=O)[O-])C1 ZINC001140498954 804449072 /nfs/dbraw/zinc/44/90/72/804449072.db2.gz FGLPIBRZVRBFML-OAHLLOKOSA-N -1 3 265.328 3.099 20 0 CGADHM [O-]c1ccc(CN2CC3CCC2CC3)c(F)c1F ZINC001140893709 804546315 /nfs/dbraw/zinc/54/63/15/804546315.db2.gz ZNKZAVHZOFHFEN-UHFFFAOYSA-N -1 3 253.292 3.045 20 0 CGADHM CC[C@H]1CCC[C@@H]1CNC(=O)c1ccc(C)cc1[O-] ZINC001140981015 804562232 /nfs/dbraw/zinc/56/22/32/804562232.db2.gz FFVNXDYSQRGYBA-QWHCGFSZSA-N -1 3 261.365 3.257 20 0 CGADHM CCN(Cc1ccncc1)Cc1cc(F)c([O-])c(F)c1 ZINC001140989459 804563928 /nfs/dbraw/zinc/56/39/28/804563928.db2.gz KEXAOHSNKSZKJZ-UHFFFAOYSA-N -1 3 278.302 3.088 20 0 CGADHM [O-]c1cc(Cl)c(CN2CCCC[C@@H](O)C2)c(Cl)c1 ZINC001142105496 804694772 /nfs/dbraw/zinc/69/47/72/804694772.db2.gz BYXZTVOTPMYVJZ-SECBINFHSA-N -1 3 290.190 3.046 20 0 CGADHM CN(Cc1ccno1)Cc1c(Cl)cc([O-])cc1Cl ZINC001142118148 804696003 /nfs/dbraw/zinc/69/60/03/804696003.db2.gz BQDOYBQQBXBFGN-UHFFFAOYSA-N -1 3 287.146 3.319 20 0 CGADHM [O-]c1cc(Cl)c(CN2C[C@@H](F)[C@H](F)C2)c(Cl)c1 ZINC001142106097 804696072 /nfs/dbraw/zinc/69/60/72/804696072.db2.gz ZBKINFHMWAVLPG-GHMZBOCLSA-N -1 3 282.117 3.191 20 0 CGADHM COc1cccc([O-])c1C(=O)N[C@@H]1CCc2cc(C)ccc21 ZINC001142187309 804701497 /nfs/dbraw/zinc/70/14/97/804701497.db2.gz DULWBBJOXQNGOF-CQSZACIVSA-N -1 3 297.354 3.127 20 0 CGADHM O=c1cc(Nc2cc(F)cc(F)c2O)n(C2CCCC2)[n-]1 ZINC001212477799 815033498 /nfs/dbraw/zinc/03/34/98/815033498.db2.gz MRYWZCOYYLSTSD-UHFFFAOYSA-N -1 3 295.289 3.431 20 0 CGADHM CC(C)c1nccnc1Nc1cc(F)cc(F)c1[O-] ZINC001212483952 815036536 /nfs/dbraw/zinc/03/65/36/815036536.db2.gz AJDBNBYHYXRXDF-UHFFFAOYSA-N -1 3 265.263 3.327 20 0 CGADHM [O-]c1ccc(Cc2nc(-c3ccc(F)cc3)no2)c(F)c1 ZINC001248142640 804885882 /nfs/dbraw/zinc/88/58/82/804885882.db2.gz ULYSIOQOABKAEA-UHFFFAOYSA-N -1 3 288.253 3.311 20 0 CGADHM Cc1nc(Nc2cc3c(cccc3C)[nH]2)cc(=O)[n-]1 ZINC001248428938 804932214 /nfs/dbraw/zinc/93/22/14/804932214.db2.gz JHBBEFZSMVBQPV-UHFFFAOYSA-N -1 3 254.293 3.024 20 0 CGADHM COc1c(C)cccc1[N-]c1nnc(C(C)(C)C)o1 ZINC001248514497 804939185 /nfs/dbraw/zinc/93/91/85/804939185.db2.gz XZMNGDTUTHVQDX-UHFFFAOYSA-N -1 3 261.325 3.428 20 0 CGADHM C[C@]1(C(=O)Nc2ccc(F)c([O-])c2)C[C@@H]2C=C[C@H]1C2 ZINC001144278052 804966054 /nfs/dbraw/zinc/96/60/54/804966054.db2.gz USCOWAMYXXXVEF-FTGAXOIBSA-N -1 3 261.296 3.072 20 0 CGADHM [O-]c1cc(F)c(CN2CCC3(CCC3)CC2)c(F)c1 ZINC001144544950 805001308 /nfs/dbraw/zinc/00/13/08/805001308.db2.gz MHXSRPXHTOOGGE-UHFFFAOYSA-N -1 3 267.319 3.437 20 0 CGADHM C[C@@H]1C[C@@H](NC(=O)Cc2ccc([O-])c(F)c2)CC(C)(C)C1 ZINC001144632998 805017518 /nfs/dbraw/zinc/01/75/18/805017518.db2.gz ZTYIIWYDHFZTMT-DGCLKSJQSA-N -1 3 293.382 3.405 20 0 CGADHM [O-]c1cc(F)c(CN2CC[C@H]3CCC[C@H]3C2)cc1F ZINC001144647584 805021722 /nfs/dbraw/zinc/02/17/22/805021722.db2.gz HOFLKSFXDQCCCE-MNOVXSKESA-N -1 3 267.319 3.292 20 0 CGADHM CN(CCc1ccccc1)Cc1cc(F)c([O-])cc1F ZINC001144646764 805023154 /nfs/dbraw/zinc/02/31/54/805023154.db2.gz IZHSTXZNZVWQAP-UHFFFAOYSA-N -1 3 277.314 3.345 20 0 CGADHM CN(CCc1ccccc1F)Cc1cc(F)c([O-])cc1F ZINC001144659510 805028773 /nfs/dbraw/zinc/02/87/73/805028773.db2.gz LGXVWMMXRPWGCE-UHFFFAOYSA-N -1 3 295.304 3.484 20 0 CGADHM Cc1ccc(CN(C)Cc2sccc2C(=O)[O-])cc1 ZINC001144669912 805031190 /nfs/dbraw/zinc/03/11/90/805031190.db2.gz BKMAODZHEOVMSV-UHFFFAOYSA-N -1 3 275.373 3.387 20 0 CGADHM [O-]c1cc(F)c(CN2CC[C@H](c3ccncc3)C2)cc1F ZINC001144667631 805031501 /nfs/dbraw/zinc/03/15/01/805031501.db2.gz XFPROAFJUMSDGB-LBPRGKRZSA-N -1 3 290.313 3.055 20 0 CGADHM CCc1ccc(C(=O)NCc2cccc(OC)c2C)c([O-])c1 ZINC001148439193 805182170 /nfs/dbraw/zinc/18/21/70/805182170.db2.gz JOZGGDHMANEUPC-UHFFFAOYSA-N -1 3 299.370 3.202 20 0 CGADHM Cc1ccc(C(=O)Nc2ccc(O)c(C)c2C)c([O-])c1 ZINC001148500377 805191557 /nfs/dbraw/zinc/19/15/57/805191557.db2.gz MPCSQEYYCOUTBM-UHFFFAOYSA-N -1 3 271.316 3.275 20 0 CGADHM CC[C@H](C)C[C@@H](C)NC(=O)c1ccc([O-])c(C(C)=O)c1 ZINC001148669240 805204109 /nfs/dbraw/zinc/20/41/09/805204109.db2.gz RVBZOKDRPVVTJK-WDEREUQCSA-N -1 3 277.364 3.149 20 0 CGADHM Cc1nc2ncccc2cc1C(=O)Nc1ccc(F)c([O-])c1 ZINC001149554986 805237416 /nfs/dbraw/zinc/23/74/16/805237416.db2.gz FANWKBPGXCRWNT-UHFFFAOYSA-N -1 3 297.289 3.035 20 0 CGADHM Cc1cc(Nc2nc3c(cccc3[O-])s2)cnc1N ZINC001249778883 805242519 /nfs/dbraw/zinc/24/25/19/805242519.db2.gz NAERCEYEUVHQCT-UHFFFAOYSA-N -1 3 272.333 3.031 20 0 CGADHM [O-]c1cc(Nc2cccc3nccn32)ccc1Cl ZINC001212588172 815077504 /nfs/dbraw/zinc/07/75/04/815077504.db2.gz IFXYDJBHNUPCDP-UHFFFAOYSA-N -1 3 259.696 3.437 20 0 CGADHM CC(C)(C)c1nnc(Nc2ccc(Cl)c([O-])c2)o1 ZINC001212588701 815078785 /nfs/dbraw/zinc/07/87/85/815078785.db2.gz ZDTZVIUQDVNUPZ-UHFFFAOYSA-N -1 3 267.716 3.470 20 0 CGADHM [O-]c1cc(Nc2cc(CO)ccc2F)ccc1Cl ZINC001212592618 815079551 /nfs/dbraw/zinc/07/95/51/815079551.db2.gz YVLUBGUAXINUSL-UHFFFAOYSA-N -1 3 267.687 3.421 20 0 CGADHM CCc1cnn2cc(Nc3ccc(Cl)c([O-])c3)cnc12 ZINC001212591672 815079878 /nfs/dbraw/zinc/07/98/78/815079878.db2.gz YLKIOPKDTYIIHP-UHFFFAOYSA-N -1 3 288.738 3.394 20 0 CGADHM O=C1OCc2c1cccc2Nc1ccc(Cl)c([O-])c1 ZINC001212593330 815080175 /nfs/dbraw/zinc/08/01/75/815080175.db2.gz LXGANDCLDRCOPY-UHFFFAOYSA-N -1 3 275.691 3.460 20 0 CGADHM O=C(Cc1c([O-])cccc1F)c1ccc(F)cc1F ZINC001250250784 805521430 /nfs/dbraw/zinc/52/14/30/805521430.db2.gz WVKHWGPNUPCZHL-UHFFFAOYSA-N -1 3 266.218 3.235 20 0 CGADHM Cc1ccc([C@H]2C[C@H]2c2nnc(-c3cncc([O-])c3)o2)cc1 ZINC001257290599 807088060 /nfs/dbraw/zinc/08/80/60/807088060.db2.gz YUHGMSSAXCDQTM-HUUCEWRRSA-N -1 3 293.326 3.417 20 0 CGADHM O=C(N[C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21)c1ccccc1[O-] ZINC001167551433 807205435 /nfs/dbraw/zinc/20/54/35/807205435.db2.gz WIVYVCQBYGPSKU-VNQPRFMTSA-N -1 3 299.757 3.114 20 0 CGADHM Cc1cc(C)cc(-c2noc(-c3cncc([O-])c3)n2)c1 ZINC001212708710 815110235 /nfs/dbraw/zinc/11/02/35/815110235.db2.gz PXTLIBOEEFCQBL-UHFFFAOYSA-N -1 3 267.288 3.121 20 0 CGADHM CC(C)(C)c1ccnc(-c2noc(-c3cncc([O-])c3)n2)c1 ZINC001212709969 815110360 /nfs/dbraw/zinc/11/03/60/815110360.db2.gz XTWHAXSMNBOTEE-UHFFFAOYSA-N -1 3 296.330 3.197 20 0 CGADHM COC1CCC(Nc2[n-]c(=O)c(Cl)cc2Cl)CC1 ZINC001168603858 807455285 /nfs/dbraw/zinc/45/52/85/807455285.db2.gz SWNBKURONIZPPJ-UHFFFAOYSA-N -1 3 291.178 3.464 20 0 CGADHM Cc1ccc(N[C@@H](C)C(C)(C)C)cc1-c1nnn[n-]1 ZINC001168686779 807480185 /nfs/dbraw/zinc/48/01/85/807480185.db2.gz YSCQXPWUPYPEJQ-JTQLQIEISA-N -1 3 259.357 3.022 20 0 CGADHM Cc1ccc(N[C@@H](C)C(C)(C)C)cc1-c1nn[n-]n1 ZINC001168686779 807480189 /nfs/dbraw/zinc/48/01/89/807480189.db2.gz YSCQXPWUPYPEJQ-JTQLQIEISA-N -1 3 259.357 3.022 20 0 CGADHM [O-]c1cccnc1CNc1cc(F)cc2cc[nH]c21 ZINC001169731402 807699547 /nfs/dbraw/zinc/69/95/47/807699547.db2.gz QIOFXTGDPZSEJS-UHFFFAOYSA-N -1 3 257.268 3.020 20 0 CGADHM CC(C)c1cnc(C(C)C)c(NCc2ncccc2[O-])n1 ZINC001169734385 807700878 /nfs/dbraw/zinc/70/08/78/807700878.db2.gz WISFTLYEFYWZRC-UHFFFAOYSA-N -1 3 286.379 3.436 20 0 CGADHM Cc1c(NCc2ncccc2[O-])cncc1-c1ccncc1 ZINC001169733739 807701714 /nfs/dbraw/zinc/70/17/14/807701714.db2.gz YJWUCETUYGAHGF-UHFFFAOYSA-N -1 3 292.342 3.165 20 0 CGADHM S=c1ccc(NCc2ccc(-c3ccccn3)cc2)n[n-]1 ZINC001169889374 807720631 /nfs/dbraw/zinc/72/06/31/807720631.db2.gz OEZRQFMGHVJSET-UHFFFAOYSA-N -1 3 294.383 3.439 20 0 CGADHM CC(C)(C)O[N-]C(=O)CCCc1c(F)cccc1F ZINC001261551958 807757365 /nfs/dbraw/zinc/75/73/65/807757365.db2.gz BDIMLTGJFVGWPQ-UHFFFAOYSA-N -1 3 271.307 3.134 20 0 CGADHM O=C([N-]CCCC(F)F)C(F)(F)c1c(F)cccc1F ZINC001262206050 807837793 /nfs/dbraw/zinc/83/77/93/807837793.db2.gz NFKMCFISOLYVEB-UHFFFAOYSA-N -1 3 299.214 3.218 20 0 CGADHM CC1(C)CCc2cc(Nc3cnc[n-]c3=O)ccc2O1 ZINC001213012622 815199059 /nfs/dbraw/zinc/19/90/59/815199059.db2.gz OUIVIQQPOFZRHA-UHFFFAOYSA-N -1 3 271.320 3.029 20 0 CGADHM CN1CCOc2cc(Nc3cc([O-])c(F)cc3F)ccc21 ZINC001213044446 815210933 /nfs/dbraw/zinc/21/09/33/815210933.db2.gz IAYGBGMVFQOWLC-UHFFFAOYSA-N -1 3 292.285 3.243 20 0 CGADHM Cc1ncc(Nc2cccc3ccccc32)c(=O)[n-]1 ZINC001173796921 808673455 /nfs/dbraw/zinc/67/34/55/808673455.db2.gz WSZAJWFYKCZFLN-UHFFFAOYSA-N -1 3 251.289 3.387 20 0 CGADHM O=c1cc(Nc2c(F)cccc2F)nc(C2CC2)[n-]1 ZINC001173859481 808718887 /nfs/dbraw/zinc/71/88/87/808718887.db2.gz UNLKCFINCMHTPK-UHFFFAOYSA-N -1 3 263.247 3.081 20 0 CGADHM c1ccc2c(N=c3[n-]sc4ncccc34)ccnc2c1 ZINC001174039624 808838848 /nfs/dbraw/zinc/83/88/48/808838848.db2.gz XZROAVPSOJPJSQ-UHFFFAOYSA-N -1 3 278.340 3.405 20 0 CGADHM COc1ncccc1Nc1nc2c(cccc2[O-])s1 ZINC001174040342 808839463 /nfs/dbraw/zinc/83/94/63/808839463.db2.gz DUPJWHNIQHUWKE-UHFFFAOYSA-N -1 3 273.317 3.149 20 0 CGADHM CSc1cc(C)c(C(=O)[N-]c2c(F)ccnc2F)o1 ZINC001274533183 808877239 /nfs/dbraw/zinc/87/72/39/808877239.db2.gz SCFLEPDGDINQIJ-UHFFFAOYSA-N -1 3 284.287 3.235 20 0 CGADHM COc1cc(F)ccc1[N-]c1nnc(C(C)(C)C)o1 ZINC001174128019 808879584 /nfs/dbraw/zinc/87/95/84/808879584.db2.gz IZYDIFJIKPZOCO-UHFFFAOYSA-N -1 3 265.288 3.258 20 0 CGADHM Cc1nn(C)c(C)c1Nc1nc2c(cccc2[O-])s1 ZINC001174224111 808911348 /nfs/dbraw/zinc/91/13/48/808911348.db2.gz MZKJGOOUUOKOLJ-UHFFFAOYSA-N -1 3 274.349 3.096 20 0 CGADHM CCOc1ncccc1Nc1cc(F)c([O-])cc1F ZINC001174457829 809021557 /nfs/dbraw/zinc/02/15/57/809021557.db2.gz TVIYYNIDOQHOQO-UHFFFAOYSA-N -1 3 266.247 3.208 20 0 CGADHM CC(C)(C)c1nc(Nc2cc(F)c([O-])c(F)c2)no1 ZINC001213370660 815270876 /nfs/dbraw/zinc/27/08/76/815270876.db2.gz KGGISAMMQSYULW-UHFFFAOYSA-N -1 3 269.251 3.095 20 0 CGADHM [O-]c1c(F)cc(Nc2cn3nc(Cl)ccc3n2)cc1F ZINC001213373302 815271965 /nfs/dbraw/zinc/27/19/65/815271965.db2.gz BYALKNPGHFYPDR-UHFFFAOYSA-N -1 3 296.664 3.110 20 0 CGADHM [O-]c1c(F)cc(Nc2cnc3ccccc3n2)cc1F ZINC001213375079 815272095 /nfs/dbraw/zinc/27/20/95/815272095.db2.gz OLFRUUVONFFRBH-UHFFFAOYSA-N -1 3 273.242 3.357 20 0 CGADHM Cc1cnc(Cl)c(Nc2cc(F)c([O-])c(F)c2)n1 ZINC001213375069 815272477 /nfs/dbraw/zinc/27/24/77/815272477.db2.gz NZLROUJPSZBGAV-UHFFFAOYSA-N -1 3 271.654 3.166 20 0 CGADHM CC(=O)c1cc(Nc2cc(F)c([O-])c(F)c2)cnc1C ZINC001213377265 815273160 /nfs/dbraw/zinc/27/31/60/815273160.db2.gz GJTQAGFBTZCDME-UHFFFAOYSA-N -1 3 278.258 3.320 20 0 CGADHM [O-]c1c(F)cc(Nc2cn(CC3CCC3)cn2)cc1F ZINC001213377678 815273589 /nfs/dbraw/zinc/27/35/89/815273589.db2.gz WLPCYIFFIRLZEP-UHFFFAOYSA-N -1 3 279.290 3.411 20 0 CGADHM O=c1cc(Nc2ccc(O)cc2)[n-]n1-c1ccccc1 ZINC001175043421 809250024 /nfs/dbraw/zinc/25/00/24/809250024.db2.gz PHNYHCZWXSZXJZ-UHFFFAOYSA-N -1 3 267.288 3.027 20 0 CGADHM CN(C)C(=O)c1ccccc1Nc1cc(F)c([O-])c(F)c1 ZINC001213381924 815273992 /nfs/dbraw/zinc/27/39/92/815273992.db2.gz PRMLXRSUFQJBDQ-UHFFFAOYSA-N -1 3 292.285 3.116 20 0 CGADHM Cc1cc(O)cc(Nc2cc(F)c([O-])c(F)c2)c1 ZINC001213384341 815274092 /nfs/dbraw/zinc/27/40/92/815274092.db2.gz HISCRBUKFLHVAK-UHFFFAOYSA-N -1 3 251.232 3.428 20 0 CGADHM Nc1ccc2c(c1)N(c1cc(F)c([O-])c(F)c1)CCC2 ZINC001213386450 815274229 /nfs/dbraw/zinc/27/42/29/815274229.db2.gz DAHNZRLCYNHVPD-UHFFFAOYSA-N -1 3 276.286 3.337 20 0 CGADHM [O-]c1cc(F)c(Nc2ccc(OC3COC3)cc2)c(F)c1 ZINC001175096661 809268949 /nfs/dbraw/zinc/26/89/49/809268949.db2.gz HMAGXPHLQRFMBX-UHFFFAOYSA-N -1 3 293.269 3.192 20 0 CGADHM COCCOc1cccc(Nc2c(F)cc([O-])cc2F)c1 ZINC001175097622 809269718 /nfs/dbraw/zinc/26/97/18/809269718.db2.gz QWJKAWGTLSDLMR-UHFFFAOYSA-N -1 3 295.285 3.439 20 0 CGADHM [O-]c1cc(F)c(Nc2cccc3snnc32)c(F)c1 ZINC001175099787 809270912 /nfs/dbraw/zinc/27/09/12/809270912.db2.gz SRRAONNDVQDKQR-UHFFFAOYSA-N -1 3 279.271 3.419 20 0 CGADHM CCOc1cc(C)c(Nc2cc(=O)[n-]c(C)n2)c(C)c1 ZINC001175171798 809297442 /nfs/dbraw/zinc/29/74/42/809297442.db2.gz JWRVSMPYYONDSG-UHFFFAOYSA-N -1 3 273.336 3.250 20 0 CGADHM Cc1nc(Nc2ccc(Cl)c(F)c2)cc(=O)[n-]1 ZINC001175204584 809306970 /nfs/dbraw/zinc/30/69/70/809306970.db2.gz NPOVSTOTSVBIKB-UHFFFAOYSA-N -1 3 253.664 3.027 20 0 CGADHM [O-]c1ccc(F)c(Nc2snc3cccnc32)c1F ZINC001175265572 809330676 /nfs/dbraw/zinc/33/06/76/809330676.db2.gz GNKXPGOHAKJTGT-UHFFFAOYSA-N -1 3 279.271 3.419 20 0 CGADHM Cn1cnc2ccc(Nc3c(F)ccc([O-])c3F)cc21 ZINC001175268724 809332374 /nfs/dbraw/zinc/33/23/74/809332374.db2.gz RGWNMCADVXCLIC-UHFFFAOYSA-N -1 3 275.258 3.301 20 0 CGADHM Cc1ccc(Nc2cccc(C(=O)N(C)C)c2[O-])c(F)c1 ZINC001175327006 809355661 /nfs/dbraw/zinc/35/56/61/809355661.db2.gz AGIPTMNKTIJPAQ-UHFFFAOYSA-N -1 3 288.322 3.285 20 0 CGADHM [O-]c1c(Cl)cccc1Nc1cnc2n[nH]cc2c1 ZINC001175403320 809393639 /nfs/dbraw/zinc/39/36/39/809393639.db2.gz GMJMDNXCFCHFFI-UHFFFAOYSA-N -1 3 260.684 3.061 20 0 CGADHM c1sc2cnccc2c1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175429012 809401226 /nfs/dbraw/zinc/40/12/26/809401226.db2.gz QWFSMQKTYKMBHO-UHFFFAOYSA-N -1 3 294.343 3.220 20 0 CGADHM c1cc2cc(Nc3ccc(-c4nn[n-]n4)cc3)ccc2o1 ZINC001175433368 809402947 /nfs/dbraw/zinc/40/29/47/809402947.db2.gz WHIFUDPITTWDDB-UHFFFAOYSA-N -1 3 277.287 3.357 20 0 CGADHM CSc1ccc(Nc2ncc(Cl)cc2[O-])cn1 ZINC001175654291 809490603 /nfs/dbraw/zinc/49/06/03/809490603.db2.gz UZGSCGNDLUHHFO-UHFFFAOYSA-N -1 3 267.741 3.301 20 0 CGADHM CCc1ccc(C(=O)N[C@@](C)(CC)C2CC2)c([O-])c1 ZINC001300981664 809577026 /nfs/dbraw/zinc/57/70/26/809577026.db2.gz CUHBXDYCVBPJRO-INIZCTEOSA-N -1 3 261.365 3.263 20 0 CGADHM CC[C@H](NC(=O)c1c(C)cccc1[O-])C(=O)c1ccccc1 ZINC001302927645 809602447 /nfs/dbraw/zinc/60/24/47/809602447.db2.gz DTAOJXFGRUGNOS-AWEZNQCLSA-N -1 3 297.354 3.092 20 0 CGADHM Cc1ccc(C(=O)NCC2(CC3CC3)CC2)c([O-])c1 ZINC001303141138 809605000 /nfs/dbraw/zinc/60/50/00/809605000.db2.gz SMRBJHXACFGCBY-UHFFFAOYSA-N -1 3 259.349 3.011 20 0 CGADHM O=C(CCC(F)=C(F)F)Nc1ccc(F)c([O-])c1 ZINC001180277880 809988808 /nfs/dbraw/zinc/98/88/08/809988808.db2.gz PFXRLDDXRHSLDE-UHFFFAOYSA-N -1 3 263.190 3.328 20 0 CGADHM CN(CC(=O)Nc1cc([O-])cc(Cl)c1)c1ccccc1 ZINC001180948846 810029668 /nfs/dbraw/zinc/02/96/68/810029668.db2.gz YEFDVVJPGRVIRF-UHFFFAOYSA-N -1 3 290.750 3.121 20 0 CGADHM Cc1cn(CCC(=O)Nc2ncccc2[O-])c2ccccc12 ZINC001181208365 810042625 /nfs/dbraw/zinc/04/26/25/810042625.db2.gz YIKGUFCYSRABQO-UHFFFAOYSA-N -1 3 295.342 3.079 20 0 CGADHM Cc1nc(NC(=O)[C@@H]2C[C@H](C)CC[C@H]2C(C)C)cc(=O)[n-]1 ZINC001183913437 810169053 /nfs/dbraw/zinc/16/90/53/810169053.db2.gz QEPLWSWOGZDYJG-KGYLQXTDSA-N -1 3 291.395 3.138 20 0 CGADHM CCCCOc1ccc(C(=O)N[C@H]2CC23CCC3)c([O-])c1 ZINC001184234730 810184395 /nfs/dbraw/zinc/18/43/95/810184395.db2.gz CABHEVNJXWRXAB-HNNXBMFYSA-N -1 3 289.375 3.244 20 0 CGADHM CC(=O)c1cccc([O-])c1NC(=O)N[C@H](C)c1ccccc1 ZINC001185022342 810229822 /nfs/dbraw/zinc/22/98/22/810229822.db2.gz UUIMPFNCFVNIBB-LLVKDONJSA-N -1 3 298.342 3.478 20 0 CGADHM O=C(Nc1cccnc1)Nc1ccc(C(F)(F)F)cc1[O-] ZINC001185692737 810284435 /nfs/dbraw/zinc/28/44/35/810284435.db2.gz JSTBOABXKOAWGU-UHFFFAOYSA-N -1 3 297.236 3.450 20 0 CGADHM Cc1nc(NC(=O)CC2CCC(C)(C)CC2)cc(=O)[n-]1 ZINC001185965350 810304855 /nfs/dbraw/zinc/30/48/55/810304855.db2.gz DTINBTSBCPFKKZ-UHFFFAOYSA-N -1 3 277.368 3.036 20 0 CGADHM COc1cscc1C(=O)Nc1cc([O-])cc(Cl)c1 ZINC001188311176 810475239 /nfs/dbraw/zinc/47/52/39/810475239.db2.gz HJNPUAMDFSLTBX-UHFFFAOYSA-N -1 3 283.736 3.368 20 0 CGADHM CCc1ccc(NC(=O)c2c(C)cccc2[O-])c(O)c1 ZINC001188648131 810499288 /nfs/dbraw/zinc/49/92/88/810499288.db2.gz DOVSXAKPKXHTLP-UHFFFAOYSA-N -1 3 271.316 3.221 20 0 CGADHM Cc1ccc(Nc2ccc([O-])c(F)c2F)c(N)c1 ZINC001214187022 815379430 /nfs/dbraw/zinc/37/94/30/815379430.db2.gz RWNIHLZSQHFCAT-UHFFFAOYSA-N -1 3 250.248 3.305 20 0 CGADHM CC(C)Sc1ccccc1[N-]S(=O)(=O)CCCF ZINC001189908873 810592917 /nfs/dbraw/zinc/59/29/17/810592917.db2.gz QUVPOVYJJFMFBG-UHFFFAOYSA-N -1 3 291.413 3.288 20 0 CGADHM Cc1c(C(=O)Nc2ccc(F)c([O-])c2)cnn1C(C)(C)C ZINC001190831608 810652077 /nfs/dbraw/zinc/65/20/77/810652077.db2.gz WFPZWMJRHSZINW-UHFFFAOYSA-N -1 3 291.326 3.044 20 0 CGADHM O=S(=O)(CC1CCCC1)[N-]c1csc2cnccc12 ZINC001191489131 810719576 /nfs/dbraw/zinc/71/95/76/810719576.db2.gz OYYGDDSVLBJTOP-UHFFFAOYSA-N -1 3 296.417 3.228 20 0 CGADHM Cc1ccc(Cl)c(NC(=O)Nc2cncc([O-])c2)c1 ZINC001191672683 810730560 /nfs/dbraw/zinc/73/05/60/810730560.db2.gz ILJFDUDFUSMOOL-UHFFFAOYSA-N -1 3 277.711 3.393 20 0 CGADHM CCCCCCNC(=O)Nc1cccc(C(C)=O)c1[O-] ZINC001191980095 810763306 /nfs/dbraw/zinc/76/33/06/810763306.db2.gz LUEVVWXOKPLHSY-UHFFFAOYSA-N -1 3 278.352 3.297 20 0 CGADHM Cc1cc(O)cc([O-])c1C(=O)N[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC001193945379 810984067 /nfs/dbraw/zinc/98/40/67/810984067.db2.gz CNIZAEJWYQRBLC-CMPLNLGQSA-N -1 3 291.391 3.351 20 0 CGADHM Cc1cn(-c2cc(F)c([O-])c(Cl)c2)c2ncc(N)cc12 ZINC001214485223 815416141 /nfs/dbraw/zinc/41/61/41/815416141.db2.gz XDJQUQQYXTXHNC-UHFFFAOYSA-N -1 3 291.713 3.414 20 0 CGADHM Nc1cccc2ncn(-c3c(Cl)ccc([O-])c3F)c21 ZINC001214560028 815424433 /nfs/dbraw/zinc/42/44/33/815424433.db2.gz YQPKVAWKQTYOKJ-UHFFFAOYSA-N -1 3 277.686 3.106 20 0 CGADHM COc1cc(CO)ccc1Nc1c(Cl)ccc([O-])c1F ZINC001214563779 815424487 /nfs/dbraw/zinc/42/44/87/815424487.db2.gz SFDSXLVTKPTPJT-UHFFFAOYSA-N -1 3 297.713 3.429 20 0 CGADHM O=c1[nH]ncc(Nc2c(Cl)ccc([O-])c2F)c1Cl ZINC001214555931 815423188 /nfs/dbraw/zinc/42/31/88/815423188.db2.gz BCPSJWJVQOTCOU-UHFFFAOYSA-N -1 3 290.081 3.077 20 0 CGADHM Cc1cc(Nc2c(Cl)ccc([O-])c2F)cc(=O)o1 ZINC001214558513 815424594 /nfs/dbraw/zinc/42/45/94/815424594.db2.gz YLSZAOGYXWRBFU-UHFFFAOYSA-N -1 3 269.659 3.190 20 0 CGADHM Cc1c2cc(N)ccc2nn1-c1c(Cl)ccc([O-])c1F ZINC001214561228 815424866 /nfs/dbraw/zinc/42/48/66/815424866.db2.gz ASLSMNXAXGGVDJ-UHFFFAOYSA-N -1 3 291.713 3.414 20 0 CGADHM CC(C)(NS(=O)(=O)c1ccc([O-])cc1)C1CCCCC1 ZINC001195829935 811294570 /nfs/dbraw/zinc/29/45/70/811294570.db2.gz YDJAKEOSIJOBPH-UHFFFAOYSA-N -1 3 297.420 3.029 20 0 CGADHM CCc1cnccc1C(=O)Nc1cc([O-])cc(Cl)c1 ZINC001196140883 811323259 /nfs/dbraw/zinc/32/32/59/811323259.db2.gz VWRRYVRGYPQEEX-UHFFFAOYSA-N -1 3 276.723 3.255 20 0 CGADHM COc1ccc(F)c(Nc2ncc(Cl)cc2[O-])c1OC ZINC001214691880 815444009 /nfs/dbraw/zinc/44/40/09/815444009.db2.gz TURFWJWGQHJKQX-UHFFFAOYSA-N -1 3 298.701 3.341 20 0 CGADHM Cc1ccc(C(=O)Nc2ncccc2[O-])c(C)c1Cl ZINC001198202733 811482731 /nfs/dbraw/zinc/48/27/31/811482731.db2.gz FPCVXCTVLOPKGP-UHFFFAOYSA-N -1 3 276.723 3.310 20 0 CGADHM CC(=O)c1ccc([N-]C(=O)c2noc(Cl)c2C)c(F)c1 ZINC001199676280 811584613 /nfs/dbraw/zinc/58/46/13/811584613.db2.gz WGGFUWSFOLOVLE-UHFFFAOYSA-N -1 3 296.685 3.230 20 0 CGADHM CC(C)c1ccc(C(=O)Nc2cncc([O-])c2)c(Cl)n1 ZINC001199696224 811588671 /nfs/dbraw/zinc/58/86/71/811588671.db2.gz AVVNNMMCUSJQPL-UHFFFAOYSA-N -1 3 291.738 3.211 20 0 CGADHM Cc1cnc([C@H](NCc2nc(C)ccc2[O-])C2CC2)s1 ZINC001200802836 811747358 /nfs/dbraw/zinc/74/73/58/811747358.db2.gz KKMYEQGFFLTZJG-CQSZACIVSA-N -1 3 289.404 3.101 20 0 CGADHM O=C(Nc1ccc(F)c([O-])c1)N[C@@H]1C[C@H]1c1ccccc1 ZINC001201934309 811976982 /nfs/dbraw/zinc/97/69/82/811976982.db2.gz WLYUSTHYXCUSFZ-GXTWGEPZSA-N -1 3 286.306 3.209 20 0 CGADHM O=C([N-]c1cc(C(F)(F)F)no1)Nc1ccccc1F ZINC001201989460 811990513 /nfs/dbraw/zinc/99/05/13/811990513.db2.gz IUQGAMGJYVRPFC-UHFFFAOYSA-N -1 3 289.188 3.477 20 0 CGADHM COc1cc(CO)ccc1Nc1ccc([O-])c(Cl)c1 ZINC001215210034 815494716 /nfs/dbraw/zinc/49/47/16/815494716.db2.gz FNRSKNQEVPMGNA-UHFFFAOYSA-N -1 3 279.723 3.290 20 0 CGADHM O=C(Nc1ccc(F)cc1)Nc1ncc([O-])cc1Cl ZINC001202347347 812069170 /nfs/dbraw/zinc/06/91/70/812069170.db2.gz NRGODYBKQRDJCQ-UHFFFAOYSA-N -1 3 281.674 3.224 20 0 CGADHM Cc1ccc(F)c(-c2noc(-c3c([O-])cccc3O)n2)c1 ZINC001215302293 815505261 /nfs/dbraw/zinc/50/52/61/815505261.db2.gz XURXRCMCVKKNOY-UHFFFAOYSA-N -1 3 286.262 3.262 20 0 CGADHM [O-]c1cccc(O)c1-c1nc(-c2cc(F)ccc2F)no1 ZINC001215302279 815505354 /nfs/dbraw/zinc/50/53/54/815505354.db2.gz XHWOXYOPKVFRJM-UHFFFAOYSA-N -1 3 290.225 3.093 20 0 CGADHM Cc1ccc([O-])c(NC(=O)Nc2cc(F)ccc2F)n1 ZINC001202645175 812144909 /nfs/dbraw/zinc/14/49/09/812144909.db2.gz JEFIQYIHTSCXLH-UHFFFAOYSA-N -1 3 279.246 3.018 20 0 CGADHM Cc1ccc(C)c(NC(=O)Nc2cncc([O-])c2)c1 ZINC001202759507 812167776 /nfs/dbraw/zinc/16/77/76/812167776.db2.gz SQRPGMGOAIXYGQ-UHFFFAOYSA-N -1 3 257.293 3.048 20 0 CGADHM Cc1nnc(-c2ccc([N-]c3noc(C(C)(C)C)n3)cc2)o1 ZINC001203085832 812236179 /nfs/dbraw/zinc/23/61/79/812236179.db2.gz BQGCYTQQSATFIB-UHFFFAOYSA-N -1 3 299.334 3.469 20 0 CGADHM Cc1nnc(-c2ccc(Nc3ncc(F)cc3[O-])cc2)o1 ZINC001203091315 812237546 /nfs/dbraw/zinc/23/75/46/812237546.db2.gz FURRPGGCUITBFD-UHFFFAOYSA-N -1 3 286.266 3.028 20 0 CGADHM Nc1ccc(Nc2cccc([O-])c2Br)c(F)n1 ZINC001203626505 812411394 /nfs/dbraw/zinc/41/13/94/812411394.db2.gz FHXZOBGAEIPFOH-UHFFFAOYSA-N -1 3 298.115 3.015 20 0 CGADHM CSc1ccc(Nc2cc(=O)[n-]c(C)n2)c(C)c1 ZINC001215473981 815523422 /nfs/dbraw/zinc/52/34/22/815523422.db2.gz QXUPTHZJVVVZIS-UHFFFAOYSA-N -1 3 261.350 3.265 20 0 CGADHM Cc1cnc(C)c([N-]c2nnc(Br)s2)c1 ZINC001203654113 812416975 /nfs/dbraw/zinc/41/69/75/812416975.db2.gz DQOSGBSMQNRSDN-UHFFFAOYSA-N -1 3 285.170 3.056 20 0 CGADHM CCCOc1ccc(Nc2cc(=O)[n-]c(C)n2)c(F)c1F ZINC001203689965 812428334 /nfs/dbraw/zinc/42/83/34/812428334.db2.gz DZKNBVDXKWFIMU-UHFFFAOYSA-N -1 3 295.289 3.301 20 0 CGADHM [O-]c1cc(F)c(Nc2ccn3nccc3c2)cc1F ZINC001215572374 815537787 /nfs/dbraw/zinc/53/77/87/815537787.db2.gz URABXHYWDLHIHE-UHFFFAOYSA-N -1 3 261.231 3.062 20 0 CGADHM [O-]c1cc(F)c(Nc2cc(Cl)nc3ccnn32)cc1F ZINC001215572702 815538748 /nfs/dbraw/zinc/53/87/48/815538748.db2.gz QVYQUQRNZRZJBT-UHFFFAOYSA-N -1 3 296.664 3.110 20 0 CGADHM COCOc1ccc(-c2ccc(=S)[n-]n2)cc1Cl ZINC001205015989 812826178 /nfs/dbraw/zinc/82/61/78/812826178.db2.gz GEHJUETYGVFXGT-UHFFFAOYSA-N -1 3 282.752 3.068 20 0 CGADHM Cn1ccc2cnc(-c3ccc([O-])cc3C(F)(F)F)nc21 ZINC001205066098 812845333 /nfs/dbraw/zinc/84/53/33/812845333.db2.gz DTKVAKAPMUBXPL-UHFFFAOYSA-N -1 3 293.248 3.360 20 0 CGADHM OCc1cc(-c2ccc3c(c2)[N-]C(=S)C3)cs1 ZINC001205322813 812953552 /nfs/dbraw/zinc/95/35/52/812953552.db2.gz DVKPXIOTBWOFNM-UHFFFAOYSA-N -1 3 261.371 3.203 20 0 CGADHM COc1cncc(Nc2cc([O-])c(F)cc2F)c1C ZINC001215734996 815569057 /nfs/dbraw/zinc/56/90/57/815569057.db2.gz ZXOMAVYVHSMGGD-UHFFFAOYSA-N -1 3 266.247 3.126 20 0 CGADHM CN(C)/C=C/c1ccncc1-c1ccsc1C(=O)[O-] ZINC001205614817 813024084 /nfs/dbraw/zinc/02/40/84/813024084.db2.gz RFADMEVCMDXAQK-QPJJXVBHSA-N -1 3 274.345 3.041 20 0 CGADHM Cc1cnc(-c2ccc([O-])cc2F)nc1NC(C)C ZINC001206021432 813168477 /nfs/dbraw/zinc/16/84/77/813168477.db2.gz NHVRBSKTPNOSCE-UHFFFAOYSA-N -1 3 261.300 3.117 20 0 CGADHM [O-]c1ccc(-c2ncnc3[nH]c4c(c32)CCCC4)c(F)c1 ZINC001206030452 813172832 /nfs/dbraw/zinc/17/28/32/813172832.db2.gz XJOKLPMYFRWOKL-UHFFFAOYSA-N -1 3 283.306 3.348 20 0 CGADHM [O-]c1ccc(-c2cc(C(F)(F)F)cn3ncnc23)c(F)c1 ZINC001206057415 813184262 /nfs/dbraw/zinc/18/42/62/813184262.db2.gz AZXFYBZUEQXNEZ-UHFFFAOYSA-N -1 3 297.211 3.260 20 0 CGADHM O=c1c(-c2ccc([O-])cc2F)cccn1-c1ccc(F)cc1 ZINC001206081001 813194967 /nfs/dbraw/zinc/19/49/67/813194967.db2.gz RZDHHXCLFPJKSW-UHFFFAOYSA-N -1 3 299.276 3.488 20 0 CGADHM Cc1nc(-c2csc(C(=O)[O-])c2)cc2[nH]ccc21 ZINC001206256759 813258477 /nfs/dbraw/zinc/25/84/77/813258477.db2.gz KAVXYRQQQSDRIN-UHFFFAOYSA-N -1 3 258.302 3.298 20 0 CGADHM CN1CC=C(Nc2ccc(Cl)cc2[S-])CC1 ZINC001208859648 813871671 /nfs/dbraw/zinc/87/16/71/813871671.db2.gz WRDLEGAQPIXAGF-UHFFFAOYSA-N -1 3 254.786 3.260 20 0 CGADHM Fc1cc(-c2nnn[n-]2)cc(-c2cnc3sccc3c2)c1 ZINC001242682497 823099603 /nfs/dbraw/zinc/09/96/03/823099603.db2.gz QVHWECSBHQSTGU-UHFFFAOYSA-N -1 3 297.318 3.283 20 0 CGADHM Fc1cc(-c2nn[n-]n2)cc(-c2cnc3sccc3c2)c1 ZINC001242682497 823099610 /nfs/dbraw/zinc/09/96/10/823099610.db2.gz QVHWECSBHQSTGU-UHFFFAOYSA-N -1 3 297.318 3.283 20 0 CGADHM Cc1ncc(Nc2ccccc2OC(C)C)c(=O)[n-]1 ZINC001210023344 814250016 /nfs/dbraw/zinc/25/00/16/814250016.db2.gz OWFADNZFWOXATB-UHFFFAOYSA-N -1 3 259.309 3.021 20 0 CGADHM Cc1cc(Cl)cc(Nc2cnc[n-]c2=O)c1F ZINC001210025710 814251692 /nfs/dbraw/zinc/25/16/92/814251692.db2.gz QKFWXYDCFPCBFA-UHFFFAOYSA-N -1 3 253.664 3.027 20 0 CGADHM FC(F)(F)COc1ccc(-c2ccc(=S)[n-]n2)cc1 ZINC001242719411 823111588 /nfs/dbraw/zinc/11/15/88/823111588.db2.gz NUHCFWVJRLRUDJ-UHFFFAOYSA-N -1 3 286.278 3.373 20 0 CGADHM COc1ccc(C(C)=O)cc1Nc1cccc(F)c1[O-] ZINC001210079747 814277605 /nfs/dbraw/zinc/27/76/05/814277605.db2.gz UXTUCXOZBXXOPU-UHFFFAOYSA-N -1 3 275.279 3.486 20 0 CGADHM CC(C)(C)c1cc(Nc2ccc(C(=O)[O-])nc2)ccn1 ZINC001210171301 814320673 /nfs/dbraw/zinc/32/06/73/814320673.db2.gz FRKUROASCPSCBW-UHFFFAOYSA-N -1 3 271.320 3.216 20 0 CGADHM [O-]c1c(Cl)cccc1Nc1ncc(F)cc1F ZINC001210215341 814345064 /nfs/dbraw/zinc/34/50/64/814345064.db2.gz FFFVUBDTRKFXMV-UHFFFAOYSA-N -1 3 256.639 3.462 20 0 CGADHM [O-]c1c(Cl)cccc1Nc1noc2cnccc21 ZINC001210219693 814346649 /nfs/dbraw/zinc/34/66/49/814346649.db2.gz RPVFLPBRCXZNJB-UHFFFAOYSA-N -1 3 261.668 3.325 20 0 CGADHM Fc1ccc2nc([N-]c3cnn(C(F)(F)F)c3)oc2c1 ZINC001210358590 814419975 /nfs/dbraw/zinc/41/99/75/814419975.db2.gz YCDNTOXGIXAXEZ-UHFFFAOYSA-N -1 3 286.188 3.383 20 0 CGADHM C[C@@H](O)c1ccc([N-]c2nnc(-c3ccco3)o2)cc1 ZINC001210642173 814566624 /nfs/dbraw/zinc/56/66/24/814566624.db2.gz ZTLPOPRTKFKIID-SECBINFHSA-N -1 3 271.276 3.127 20 0 CGADHM C[C@H](O)c1ccc(Nc2ccc([O-])c(F)c2F)cc1 ZINC001210647889 814571056 /nfs/dbraw/zinc/57/10/56/814571056.db2.gz BRKZOUQTPMOGSM-QMMMGPOBSA-N -1 3 265.259 3.467 20 0 CGADHM Cc1ncc(Nc2cc3cc(F)ccc3o2)c(=O)[n-]1 ZINC001210727389 814599457 /nfs/dbraw/zinc/59/94/57/814599457.db2.gz JRMSBYIVBLGDJD-UHFFFAOYSA-N -1 3 259.240 3.120 20 0 CGADHM COC(=O)c1ccnc(C)c1Nc1cccc([O-])c1Cl ZINC001210855806 814653990 /nfs/dbraw/zinc/65/39/90/814653990.db2.gz YPPKOJDUVCOTOU-UHFFFAOYSA-N -1 3 292.722 3.279 20 0 CGADHM [O-]c1cc(Cl)cnc1Nc1c[nH]c2ncccc12 ZINC001210940806 814683016 /nfs/dbraw/zinc/68/30/16/814683016.db2.gz WNMINGQCSQUVDT-UHFFFAOYSA-N -1 3 260.684 3.061 20 0 CGADHM COCc1cncc(Nc2nc3c(cccc3[O-])s2)c1 ZINC001211074239 814733203 /nfs/dbraw/zinc/73/32/03/814733203.db2.gz HGJQPSODIRRZPW-UHFFFAOYSA-N -1 3 287.344 3.287 20 0 CGADHM COCc1cncc(Nc2cccc(Cl)c2[O-])c1 ZINC001211078976 814733979 /nfs/dbraw/zinc/73/39/79/814733979.db2.gz XVTLZBRAGUXBTO-UHFFFAOYSA-N -1 3 264.712 3.331 20 0 CGADHM COC(=O)c1ccc(F)cc1Nc1ncc(Cl)cc1[O-] ZINC001211341642 814882116 /nfs/dbraw/zinc/88/21/16/814882116.db2.gz GTGXVECMGOWERL-UHFFFAOYSA-N -1 3 296.685 3.110 20 0 CGADHM CCOc1cc(C)ccc1Nc1ncc(F)cc1[O-] ZINC001215874972 815620766 /nfs/dbraw/zinc/62/07/66/815620766.db2.gz PMEGJCCQCVXCCE-UHFFFAOYSA-N -1 3 262.284 3.377 20 0 CGADHM COc1ccc(Nc2cnc[n-]c2=O)cc1C(C)C ZINC001216000412 815656517 /nfs/dbraw/zinc/65/65/17/815656517.db2.gz LFPHONVPXFJAKP-UHFFFAOYSA-N -1 3 259.309 3.058 20 0 CGADHM Cc1nc(Nc2cc(-c3ccccc3)cnc2F)cc(=O)[n-]1 ZINC001216070135 815680221 /nfs/dbraw/zinc/68/02/21/815680221.db2.gz KVLKMEYGECCONX-UHFFFAOYSA-N -1 3 296.305 3.435 20 0 CGADHM Cc1c(F)cncc1Nc1ncc(Br)cc1[O-] ZINC001216190816 815728974 /nfs/dbraw/zinc/72/89/74/815728974.db2.gz RCHMZKZDSMXKAL-UHFFFAOYSA-N -1 3 298.115 3.136 20 0 CGADHM CSc1ncc(C)cc1Nc1cc(=O)[n-]c(C2CC2)n1 ZINC001216240014 815752005 /nfs/dbraw/zinc/75/20/05/815752005.db2.gz XCPCJOIWHSOUFD-UHFFFAOYSA-N -1 3 288.376 3.229 20 0 CGADHM Cc1c(F)ccc(F)c1Nc1ncc(F)cc1[O-] ZINC001216341706 815792160 /nfs/dbraw/zinc/79/21/60/815792160.db2.gz MPGZTWCUIJPSGP-UHFFFAOYSA-N -1 3 254.211 3.257 20 0 CGADHM Cc1cncc(-c2noc(-c3c(C)cccc3[O-])n2)c1 ZINC001216540227 815853875 /nfs/dbraw/zinc/85/38/75/815853875.db2.gz GYYFFHYPBWSQRT-UHFFFAOYSA-N -1 3 267.288 3.121 20 0 CGADHM [O-]c1cc(Cl)cnc1Nc1cncc(OCC2CC2)c1 ZINC001216596956 815871629 /nfs/dbraw/zinc/87/16/29/815871629.db2.gz PBWAQBMEVBXZFZ-UHFFFAOYSA-N -1 3 291.738 3.368 20 0 CGADHM COc1cc([O-])ccc1-c1nc(-c2ccccc2)no1 ZINC001217085611 815908486 /nfs/dbraw/zinc/90/84/86/815908486.db2.gz SOBZHXJIFPPQHX-UHFFFAOYSA-N -1 3 268.272 3.118 20 0 CGADHM Cc1ccc(-c2ccccc2Cl)cc1-c1nnn[n-]1 ZINC001222445106 816446684 /nfs/dbraw/zinc/44/66/84/816446684.db2.gz DJRGBCOECVHKTB-UHFFFAOYSA-N -1 3 270.723 3.496 20 0 CGADHM Cc1ccc(-c2ccccc2Cl)cc1-c1nn[n-]n1 ZINC001222445106 816446685 /nfs/dbraw/zinc/44/66/85/816446685.db2.gz DJRGBCOECVHKTB-UHFFFAOYSA-N -1 3 270.723 3.496 20 0 CGADHM Nc1ccnc(-c2cc(C(=O)[O-])cc(C(F)(F)F)c2)c1 ZINC001222587752 816473111 /nfs/dbraw/zinc/47/31/11/816473111.db2.gz ZQQJXIBNAJMHHZ-UHFFFAOYSA-N -1 3 282.221 3.048 20 0 CGADHM O=C1CC[C@@H](c2ccc(-c3ccc(F)c([O-])c3)cc2)N1 ZINC001243048498 823225672 /nfs/dbraw/zinc/22/56/72/823225672.db2.gz AMADPEOPQLJREC-AWEZNQCLSA-N -1 3 271.291 3.149 20 0 CGADHM Cc1nc2ccccc2nc1-c1ccc(F)c([O-])c1 ZINC001243049399 823226504 /nfs/dbraw/zinc/22/65/04/823226504.db2.gz SNYARTRGRQQRDG-UHFFFAOYSA-N -1 3 254.264 3.450 20 0 CGADHM O=C1c2ccc(-c3ccc(F)c([O-])c3)cc2CN1C1CC1 ZINC001243050881 823227571 /nfs/dbraw/zinc/22/75/71/823227571.db2.gz GKEKJHKAJWOMBT-UHFFFAOYSA-N -1 3 283.302 3.317 20 0 CGADHM COc1ccccc1[C@H](C)Oc1ccc2c([O-])coc2c1 ZINC001225342489 817018107 /nfs/dbraw/zinc/01/81/07/817018107.db2.gz IVHIYPHRCGNTAA-NSHDSACASA-N -1 3 284.311 3.410 20 0 CGADHM C[C@@H](Oc1ccc2c([O-])coc2c1)c1cccc(N(C)C)c1 ZINC001225340453 817018432 /nfs/dbraw/zinc/01/84/32/817018432.db2.gz NFNIJVFQYXYDHT-GFCCVEGCSA-N -1 3 297.354 3.468 20 0 CGADHM C[C@H](Oc1nc(=O)[n-]cc1C(F)(F)F)C1CCCC1 ZINC001225577621 817099151 /nfs/dbraw/zinc/09/91/51/817099151.db2.gz ZDOSEQKLVMXOFB-ZETCQYMHSA-N -1 3 276.258 3.159 20 0 CGADHM FC(F)(F)c1cc(O[C@@H]2C[C@H]3CC[C@@H]2C3)nc(=S)[n-]1 ZINC001225853955 817196404 /nfs/dbraw/zinc/19/64/04/817196404.db2.gz UBDYGDWWADWSNQ-XLPZGREQSA-N -1 3 290.310 3.352 20 0 CGADHM CC(=O)c1ccc([O-])c(O[C@H](C)Cc2ccco2)c1 ZINC001225993690 817241487 /nfs/dbraw/zinc/24/14/87/817241487.db2.gz JSUUQUSGTBACJU-SNVBAGLBSA-N -1 3 260.289 3.198 20 0 CGADHM CC(=O)c1ccc([O-])c(O[C@H]2Cc3ccncc3[C@H]2C)c1 ZINC001225996390 817243727 /nfs/dbraw/zinc/24/37/27/817243727.db2.gz WYYFRACCNGEQAB-HWPZZCPQSA-N -1 3 283.327 3.097 20 0 CGADHM CC(=O)c1cnc(=O)[n-]c1O[C@H](C)c1ccccc1Cl ZINC001226240731 817307619 /nfs/dbraw/zinc/30/76/19/817307619.db2.gz UTBUIKWNMJGVLX-SECBINFHSA-N -1 3 292.722 3.178 20 0 CGADHM CCc1nc(O[C@H](C)c2cccc(F)c2F)cc(=O)[n-]1 ZINC001226475355 817368270 /nfs/dbraw/zinc/36/82/70/817368270.db2.gz KKFPQVWKECIQDY-MRVPVSSYSA-N -1 3 280.274 3.163 20 0 CGADHM Cc1nc(O[C@H](c2ccccc2)C(C)C)cc(=O)[n-]1 ZINC001226509695 817379387 /nfs/dbraw/zinc/37/93/87/817379387.db2.gz BROKJLFVUAVFTB-HNNXBMFYSA-N -1 3 258.321 3.267 20 0 CGADHM CCCCC(=O)[C@H](CCCC)Oc1cc(=O)[n-]c(C)n1 ZINC001226512847 817381948 /nfs/dbraw/zinc/38/19/48/817381948.db2.gz VQNNBIUIRXYQPL-ZDUSSCGKSA-N -1 3 280.368 3.188 20 0 CGADHM Cc1nc(O[C@H](C)c2cc(-c3ccccc3)no2)cc(=O)[n-]1 ZINC001226512834 817381977 /nfs/dbraw/zinc/38/19/77/817381977.db2.gz VLFVJONQHAVOIO-SNVBAGLBSA-N -1 3 297.314 3.286 20 0 CGADHM Cc1cc(=O)oc2cc([O-])c(O[C@@H]3CCC(F)(F)C3)cc12 ZINC001226537984 817390904 /nfs/dbraw/zinc/39/09/04/817390904.db2.gz ONZGOPAFTLFGTL-SECBINFHSA-N -1 3 296.269 3.374 20 0 CGADHM Cc1ccc2c(c1)CC[C@@H]2Oc1cc(C)nc(=S)[n-]1 ZINC001226800454 817469407 /nfs/dbraw/zinc/46/94/07/817469407.db2.gz HCJICUNBVHWUJC-ZDUSSCGKSA-N -1 3 272.373 3.448 20 0 CGADHM CCCCC(=O)[C@@H](CCCC)Oc1ccnc(=S)[n-]1 ZINC001226938791 817509735 /nfs/dbraw/zinc/50/97/35/817509735.db2.gz CFUKXXRXZUJNFQ-GFCCVEGCSA-N -1 3 282.409 3.462 20 0 CGADHM S=c1nccc(O[C@H]2CCc3cc(Cl)ccc32)[n-]1 ZINC001226939396 817509969 /nfs/dbraw/zinc/50/99/69/817509969.db2.gz HWTSPSJTFPRSJZ-NSHDSACASA-N -1 3 278.764 3.485 20 0 CGADHM C[C@@H](Oc1ccc(=O)[n-]n1)c1c(Cl)cncc1Cl ZINC001227093152 817555318 /nfs/dbraw/zinc/55/53/18/817555318.db2.gz HKLLUMAQBGGLSE-ZCFIWIBFSA-N -1 3 286.118 3.024 20 0 CGADHM Cc1cc(C(=O)[O-])cc(-c2ccc3c(N)ccnc3c2)c1 ZINC001243177503 823274631 /nfs/dbraw/zinc/27/46/31/823274631.db2.gz JFCUCMOLFZQICF-UHFFFAOYSA-N -1 3 278.311 3.491 20 0 CGADHM C[C@@H](Oc1ccc(=O)[n-]n1)c1cccc(C(F)(F)F)c1 ZINC001227095196 817556884 /nfs/dbraw/zinc/55/68/84/817556884.db2.gz ORGRXAUDNVFGCJ-MRVPVSSYSA-N -1 3 284.237 3.341 20 0 CGADHM C[C@@H](Oc1c([O-])cc(Br)cc1F)C1CC1 ZINC001227582829 817676519 /nfs/dbraw/zinc/67/65/19/817676519.db2.gz GDGAWSUFLAIFPK-ZCFIWIBFSA-N -1 3 275.117 3.471 20 0 CGADHM CC(C)=CCC[C@H](C)Oc1[nH]c(=S)nc2nc[n-]c21 ZINC001227616038 817682559 /nfs/dbraw/zinc/68/25/59/817682559.db2.gz JRDCFRIPQUFKOX-VIFPVBQESA-N -1 3 278.381 3.155 20 0 CGADHM C[C@H](COC(C)(C)C)Oc1ncc(Cl)cc1[O-] ZINC001227983118 817773145 /nfs/dbraw/zinc/77/31/45/817773145.db2.gz LHSVIOWJAYZFAW-MRVPVSSYSA-N -1 3 259.733 3.023 20 0 CGADHM CC[C@H](COC)Oc1cc(-c2ccccc2)nc(=S)[n-]1 ZINC001228346576 817883849 /nfs/dbraw/zinc/88/38/49/817883849.db2.gz KHUMGGQESFMYQS-GFCCVEGCSA-N -1 3 290.388 3.236 20 0 CGADHM Cc1cc(=O)oc2c1ccc([O-])c2O[C@@H](C)c1cccnc1 ZINC001228630532 817955982 /nfs/dbraw/zinc/95/59/82/817955982.db2.gz SATGPHHYHRLTOC-NSHDSACASA-N -1 3 297.310 3.342 20 0 CGADHM CCCC[C@@H](CC)Oc1n[n-]c(-c2ccncc2)n1 ZINC001228697677 817976862 /nfs/dbraw/zinc/97/68/62/817976862.db2.gz NUIXQDFFMPHCOL-GFCCVEGCSA-N -1 3 260.341 3.214 20 0 CGADHM CCC(CC)[C@@H](CC)Oc1nnc(-c2cccnc2)[n-]1 ZINC001228698325 817977109 /nfs/dbraw/zinc/97/71/09/817977109.db2.gz PDFWQBNQMMWUCT-CYBMUJFWSA-N -1 3 274.368 3.460 20 0 CGADHM CCC(CC)[C@@H](CC)Oc1nc(-c2cccnc2)n[n-]1 ZINC001228698325 817977114 /nfs/dbraw/zinc/97/71/14/817977114.db2.gz PDFWQBNQMMWUCT-CYBMUJFWSA-N -1 3 274.368 3.460 20 0 CGADHM CCC(CC)[C@@H](CC)Oc1n[n-]c(-c2cccnc2)n1 ZINC001228698325 817977117 /nfs/dbraw/zinc/97/71/17/817977117.db2.gz PDFWQBNQMMWUCT-CYBMUJFWSA-N -1 3 274.368 3.460 20 0 CGADHM C[C@H](Oc1n[n-]c(-c2ccncc2)n1)c1cccs1 ZINC001228697274 817977295 /nfs/dbraw/zinc/97/72/95/817977295.db2.gz ITZMBTQQCFULEP-VIFPVBQESA-N -1 3 272.333 3.068 20 0 CGADHM C[C@@H]1CCC[C@@H](Oc2n[n-]c(-c3ccncc3)n2)[C@@H]1C ZINC001228699971 817978785 /nfs/dbraw/zinc/97/87/85/817978785.db2.gz MFGYFLKTVTUTLZ-NQBHXWOUSA-N -1 3 272.352 3.070 20 0 CGADHM O=C1CCc2cc([O-])c(O[C@H]3COCc4ccccc43)cc21 ZINC001228853310 818023203 /nfs/dbraw/zinc/02/32/03/818023203.db2.gz GZVMODLDEHDLSE-SFHVURJKSA-N -1 3 296.322 3.171 20 0 CGADHM Cc1ccc2c(c1)[C@H](Oc1cccc(-c3nnn[n-]3)c1)CC2 ZINC001231117234 818034642 /nfs/dbraw/zinc/03/46/42/818034642.db2.gz YAXNOEYFIPEFSW-MRXNPFEDSA-N -1 3 292.342 3.241 20 0 CGADHM Cc1ccc2c(c1)[C@H](Oc1cccc(-c3nn[n-]n3)c1)CC2 ZINC001231117234 818034647 /nfs/dbraw/zinc/03/46/47/818034647.db2.gz YAXNOEYFIPEFSW-MRXNPFEDSA-N -1 3 292.342 3.241 20 0 CGADHM c1ccc2c(c1)CCC[C@H]2Oc1cccc(-c2nnn[n-]2)c1 ZINC001231118093 818034654 /nfs/dbraw/zinc/03/46/54/818034654.db2.gz KCGPDQVCVRLDQZ-MRXNPFEDSA-N -1 3 292.342 3.323 20 0 CGADHM c1ccc2c(c1)CCC[C@H]2Oc1cccc(-c2nn[n-]n2)c1 ZINC001231118093 818034660 /nfs/dbraw/zinc/03/46/60/818034660.db2.gz KCGPDQVCVRLDQZ-MRXNPFEDSA-N -1 3 292.342 3.323 20 0 CGADHM C[C@@H]1CC[C@@H](C)[C@@H](Oc2cccc(-c3nnn[n-]3)c2)C1 ZINC001231118497 818036697 /nfs/dbraw/zinc/03/66/97/818036697.db2.gz PRHONVHRQMIDBL-GYSYKLTISA-N -1 3 272.352 3.070 20 0 CGADHM C[C@@H]1CC[C@@H](C)[C@@H](Oc2cccc(-c3nn[n-]n3)c2)C1 ZINC001231118497 818036706 /nfs/dbraw/zinc/03/67/06/818036706.db2.gz PRHONVHRQMIDBL-GYSYKLTISA-N -1 3 272.352 3.070 20 0 CGADHM COc1cc(C)cc(-c2ccc(C)c(-c3nnn[n-]3)c2)c1 ZINC001243241298 823308142 /nfs/dbraw/zinc/30/81/42/823308142.db2.gz ABFHOICCZXKHJO-UHFFFAOYSA-N -1 3 280.331 3.159 20 0 CGADHM COc1cc(C)cc(-c2ccc(C)c(-c3nn[n-]n3)c2)c1 ZINC001243241298 823308147 /nfs/dbraw/zinc/30/81/47/823308147.db2.gz ABFHOICCZXKHJO-UHFFFAOYSA-N -1 3 280.331 3.159 20 0 CGADHM [O-]c1ccc(CN2CC(F)(C3CC3)C2)cc1C(F)(F)F ZINC001231524457 818120370 /nfs/dbraw/zinc/12/03/70/818120370.db2.gz PYRPPDDKTFFTML-UHFFFAOYSA-N -1 3 289.272 3.345 20 0 CGADHM CN(Cc1ccncc1)Cc1ccc(Cl)c([O-])c1 ZINC001231733138 818161410 /nfs/dbraw/zinc/16/14/10/818161410.db2.gz ODXBSPABJYKSFZ-UHFFFAOYSA-N -1 3 262.740 3.073 20 0 CGADHM CCN(Cc1ccc(Cl)c([O-])c1)Cc1ccccn1 ZINC001231737533 818163000 /nfs/dbraw/zinc/16/30/00/818163000.db2.gz SROAERFLYSWXRQ-UHFFFAOYSA-N -1 3 276.767 3.463 20 0 CGADHM CCCO[C@H]1CCN(Cc2ccc(Cl)c([O-])c2)C1 ZINC001231738671 818163860 /nfs/dbraw/zinc/16/38/60/818163860.db2.gz SJHTWTNLDDCFBR-LBPRGKRZSA-N -1 3 269.772 3.047 20 0 CGADHM CN(Cc1ccc(Cl)c([O-])c1Cl)C1CCOCC1 ZINC001232624774 818402943 /nfs/dbraw/zinc/40/29/43/818402943.db2.gz WTQQGDQYYDWAIW-UHFFFAOYSA-N -1 3 290.190 3.310 20 0 CGADHM [O-]c1cccc(CN2CC[C@@H]3CCCO[C@@H]3C2)c1Cl ZINC001232785697 818438916 /nfs/dbraw/zinc/43/89/16/818438916.db2.gz HFOWTMHKYBCRSU-SMDDNHRTSA-N -1 3 281.783 3.047 20 0 CGADHM C[C@@H]1CCCCN(Cc2ccc(F)c([O-])c2F)C1 ZINC001232930864 818475424 /nfs/dbraw/zinc/47/54/24/818475424.db2.gz FTZXQOVGOZZCSE-SNVBAGLBSA-N -1 3 255.308 3.292 20 0 CGADHM [O-]c1cnc(Cl)cc1CN1CCCc2ccccc2C1 ZINC001233034173 818504693 /nfs/dbraw/zinc/50/46/93/818504693.db2.gz HGWBYKTYOHNVJL-UHFFFAOYSA-N -1 3 288.778 3.389 20 0 CGADHM CC[C@H]1CCCN(Cc2cc(Cl)ncc2[O-])C1 ZINC001233039233 818507557 /nfs/dbraw/zinc/50/75/57/818507557.db2.gz QWOREMYZNNFVHE-JTQLQIEISA-N -1 3 254.761 3.063 20 0 CGADHM CCCOC1CCN(Cc2c(F)ccc([O-])c2F)CC1 ZINC001233395553 818609435 /nfs/dbraw/zinc/60/94/35/818609435.db2.gz BKTVUYXDZDAHLD-UHFFFAOYSA-N -1 3 285.334 3.061 20 0 CGADHM COc1ccc([C@H](C)Oc2ccc3occ([O-])c3c2)cc1 ZINC001233678536 818678398 /nfs/dbraw/zinc/67/83/98/818678398.db2.gz VDQIIDQONOOIRY-NSHDSACASA-N -1 3 284.311 3.410 20 0 CGADHM CC(C)Oc1ncccc1COc1ccc2occ([O-])c2c1 ZINC001233679280 818678592 /nfs/dbraw/zinc/67/85/92/818678592.db2.gz AQQNFCFXPOPNQU-UHFFFAOYSA-N -1 3 299.326 3.023 20 0 CGADHM O=C1CC[C@H](Oc2ccc3occ([O-])c3c2)c2ccccc21 ZINC001233678926 818678958 /nfs/dbraw/zinc/67/89/58/818678958.db2.gz XJDYMXFJPVPHGP-SFHVURJKSA-N -1 3 294.306 3.358 20 0 CGADHM CCCCCC[C@H](C)Oc1cccc([O-])c1C(N)=O ZINC001234149370 818791631 /nfs/dbraw/zinc/79/16/31/818791631.db2.gz OBMAAHFKRWUBNU-NSHDSACASA-N -1 3 265.353 3.229 20 0 CGADHM CCC[C@H](Oc1c(Cl)ccc([O-])c1F)C(=O)OCC ZINC001234263485 818819960 /nfs/dbraw/zinc/81/99/60/818819960.db2.gz CBTCVHQRRWBCEY-JTQLQIEISA-N -1 3 290.718 3.295 20 0 CGADHM CSc1cccc(-c2cccc(-c3nnn[n-]3)c2)c1F ZINC001243369780 823373798 /nfs/dbraw/zinc/37/37/98/823373798.db2.gz MSBNOBIZTJEJPS-UHFFFAOYSA-N -1 3 286.335 3.395 20 0 CGADHM CSc1cccc(-c2cccc(-c3nn[n-]n3)c2)c1F ZINC001243369780 823373805 /nfs/dbraw/zinc/37/38/05/823373805.db2.gz MSBNOBIZTJEJPS-UHFFFAOYSA-N -1 3 286.335 3.395 20 0 CGADHM O=C1CC[C@H](Oc2nc3c(cccc3[O-])[nH]2)c2ccccc21 ZINC001234445669 818857211 /nfs/dbraw/zinc/85/72/11/818857211.db2.gz BGBVHBGKLRGWPU-HNNXBMFYSA-N -1 3 294.310 3.365 20 0 CGADHM FC(F)(F)c1cc(-c2ccncc2Cl)nc(=S)[n-]1 ZINC001243383521 823383355 /nfs/dbraw/zinc/38/33/55/823383355.db2.gz ZRHTUNVQRIIOIT-UHFFFAOYSA-N -1 3 291.685 3.500 20 0 CGADHM CCCOc1ccc(F)cc1-c1cccc(-c2nnn[n-]2)c1 ZINC001243403235 823394381 /nfs/dbraw/zinc/39/43/81/823394381.db2.gz PBGCRDQPLZLOQV-UHFFFAOYSA-N -1 3 298.321 3.462 20 0 CGADHM COC(=O)c1cnc(-c2cc([O-])cc(Cl)c2)cc1F ZINC001235900417 819210929 /nfs/dbraw/zinc/21/09/29/819210929.db2.gz NVAJKZMWSZRYFF-UHFFFAOYSA-N -1 3 281.670 3.033 20 0 CGADHM COC(=O)c1cc(-c2cc([O-])cc(Cl)c2)ncc1F ZINC001235901219 819211318 /nfs/dbraw/zinc/21/13/18/819211318.db2.gz UATADIVBJMOQTL-UHFFFAOYSA-N -1 3 281.670 3.033 20 0 CGADHM CCCOc1ccc(F)cc1-c1cccc(-c2nn[n-]n2)c1 ZINC001243403235 823394386 /nfs/dbraw/zinc/39/43/86/823394386.db2.gz PBGCRDQPLZLOQV-UHFFFAOYSA-N -1 3 298.321 3.462 20 0 CGADHM COc1cc(-c2ccc(C)c(-c3nnn[n-]3)c2)cc(C)c1F ZINC001236205436 819367180 /nfs/dbraw/zinc/36/71/80/819367180.db2.gz GIRCCPJKHPUXRH-UHFFFAOYSA-N -1 3 298.321 3.298 20 0 CGADHM COc1cc(-c2ccc(C)c(-c3nn[n-]n3)c2)cc(C)c1F ZINC001236205436 819367184 /nfs/dbraw/zinc/36/71/84/819367184.db2.gz GIRCCPJKHPUXRH-UHFFFAOYSA-N -1 3 298.321 3.298 20 0 CGADHM CC1(C)CCN(Cc2ccc(Br)c([O-])c2)C1 ZINC001236686968 819570905 /nfs/dbraw/zinc/57/09/05/819570905.db2.gz IRDJPZHAHXTFFZ-UHFFFAOYSA-N -1 3 284.197 3.387 20 0 CGADHM O=c1[n-]c(Cl)c(CN2CCc3ccsc3C2)s1 ZINC001237150558 819679732 /nfs/dbraw/zinc/67/97/32/819679732.db2.gz HQCSEXOSOJBJKH-UHFFFAOYSA-N -1 3 286.809 3.122 20 0 CGADHM Cc1nc2ccccc2c(-c2cccc([O-])c2F)n1 ZINC001243542118 823436597 /nfs/dbraw/zinc/43/65/97/823436597.db2.gz HILIKDUGFIXXIE-UHFFFAOYSA-N -1 3 254.264 3.450 20 0 CGADHM COC(=O)/C=C/c1cc(C)cnc1-c1cccc([O-])c1F ZINC001243542836 823436643 /nfs/dbraw/zinc/43/66/43/823436643.db2.gz PZIORSVVNCLIBB-VOTSOKGWSA-N -1 3 287.290 3.088 20 0 CGADHM Cc1cccc2ncc(-c3cccc([O-])c3F)nc12 ZINC001243543734 823436889 /nfs/dbraw/zinc/43/68/89/823436889.db2.gz PCJSYJKKXHUMLH-UHFFFAOYSA-N -1 3 254.264 3.450 20 0 CGADHM Cc1cc(-c2cccc([O-])c2F)nc(-c2ccccn2)n1 ZINC001243544986 823437320 /nfs/dbraw/zinc/43/73/20/823437320.db2.gz ZTGSRAWQJZHYDG-UHFFFAOYSA-N -1 3 281.290 3.359 20 0 CGADHM CC(=O)Nc1ccc(F)c(-c2cccc([O-])c2F)c1 ZINC001243545303 823437993 /nfs/dbraw/zinc/43/79/93/823437993.db2.gz CPYWRKVRMIVOLN-UHFFFAOYSA-N -1 3 263.243 3.296 20 0 CGADHM CN(C)C(=O)Sc1ccc(-c2cccc([O-])c2F)nc1 ZINC001243545725 823438393 /nfs/dbraw/zinc/43/83/93/823438393.db2.gz DMSQVQYSVNITGU-UHFFFAOYSA-N -1 3 292.335 3.367 20 0 CGADHM COC(=O)c1ccc(C)c(-c2cccc([O-])c2F)c1 ZINC001243546593 823438599 /nfs/dbraw/zinc/43/85/99/823438599.db2.gz JUUQMJSGYBDJHD-UHFFFAOYSA-N -1 3 260.264 3.293 20 0 CGADHM O=c1ccc(-c2cccc([O-])c2F)cn1C1CCC1 ZINC001243546592 823438957 /nfs/dbraw/zinc/43/89/57/823438957.db2.gz QNGUUXMYSMWGSC-UHFFFAOYSA-N -1 3 259.280 3.085 20 0 CGADHM CSc1cc(F)cc(-c2ccccc2-c2nnn[n-]2)c1 ZINC001243551308 823441982 /nfs/dbraw/zinc/44/19/82/823441982.db2.gz ZSPDGFSRZGGVQK-UHFFFAOYSA-N -1 3 286.335 3.395 20 0 CGADHM CSc1cc(F)cc(-c2ccccc2-c2nn[n-]n2)c1 ZINC001243551308 823441987 /nfs/dbraw/zinc/44/19/87/823441987.db2.gz ZSPDGFSRZGGVQK-UHFFFAOYSA-N -1 3 286.335 3.395 20 0 CGADHM CCOc1ccc(Cl)c(-c2ccc(=S)[n-]n2)c1 ZINC001243565963 823447649 /nfs/dbraw/zinc/44/76/49/823447649.db2.gz BBWMZBWPMAHCAA-UHFFFAOYSA-N -1 3 266.753 3.484 20 0 CGADHM Cn1cc(-c2ccccc2-c2nnn[n-]2)c2ccccc21 ZINC001239531630 820382559 /nfs/dbraw/zinc/38/25/59/820382559.db2.gz UOOZQKLRHXQVJI-UHFFFAOYSA-N -1 3 275.315 3.025 20 0 CGADHM Cn1cc(-c2ccccc2-c2nn[n-]n2)c2ccccc21 ZINC001239531630 820382567 /nfs/dbraw/zinc/38/25/67/820382567.db2.gz UOOZQKLRHXQVJI-UHFFFAOYSA-N -1 3 275.315 3.025 20 0 CGADHM Cc1cnc(C)c(-c2cc(C(F)(F)F)[n-]c(=S)n2)c1 ZINC001239893228 820686714 /nfs/dbraw/zinc/68/67/14/820686714.db2.gz QNHVOUNJYSPMBX-UHFFFAOYSA-N -1 3 285.294 3.463 20 0 CGADHM CN1CCN(Cc2ccc(-c3ccc([S-])cc3)cc2)CC1 ZINC001240402102 821022356 /nfs/dbraw/zinc/02/23/56/821022356.db2.gz IMUIHLLHKWOQIF-UHFFFAOYSA-N -1 3 298.455 3.390 20 0 CGADHM COc1ccc(-c2nnn[n-]2)cc1-c1ccc2occc2c1 ZINC001240425235 821045559 /nfs/dbraw/zinc/04/55/59/821045559.db2.gz CUDZOXMPNXRUSC-UHFFFAOYSA-N -1 3 292.298 3.289 20 0 CGADHM COc1ccc(-c2nn[n-]n2)cc1-c1ccc2occc2c1 ZINC001240425235 821045567 /nfs/dbraw/zinc/04/55/67/821045567.db2.gz CUDZOXMPNXRUSC-UHFFFAOYSA-N -1 3 292.298 3.289 20 0 CGADHM Cc1cc(-c2cccc(-c3nnn[n-]3)c2)c(C)s1 ZINC001240430550 821049461 /nfs/dbraw/zinc/04/94/61/821049461.db2.gz AFRCDPRXYNGNKQ-UHFFFAOYSA-N -1 3 256.334 3.212 20 0 CGADHM Cc1cc(-c2cccc(-c3nn[n-]n3)c2)c(C)s1 ZINC001240430550 821049470 /nfs/dbraw/zinc/04/94/70/821049470.db2.gz AFRCDPRXYNGNKQ-UHFFFAOYSA-N -1 3 256.334 3.212 20 0 CGADHM Cc1sccc1-c1ccc(-c2nnn[n-]2)cc1C ZINC001240503248 821099552 /nfs/dbraw/zinc/09/95/52/821099552.db2.gz HOOKJKRQOSKNHR-UHFFFAOYSA-N -1 3 256.334 3.212 20 0 CGADHM Cc1sccc1-c1ccc(-c2nn[n-]n2)cc1C ZINC001240503248 821099559 /nfs/dbraw/zinc/09/95/59/821099559.db2.gz HOOKJKRQOSKNHR-UHFFFAOYSA-N -1 3 256.334 3.212 20 0 CGADHM [O-]c1ccc(-c2cccc(C3OCCO3)c2)cc1F ZINC001240785620 821324328 /nfs/dbraw/zinc/32/43/28/821324328.db2.gz JSGLMKHSZFXBBL-UHFFFAOYSA-N -1 3 260.264 3.244 20 0 CGADHM COc1cc2nc[nH]c2cc1-c1ccc([O-])c(F)c1 ZINC001240787326 821329413 /nfs/dbraw/zinc/32/94/13/821329413.db2.gz YDBWEPSWUOQINR-UHFFFAOYSA-N -1 3 258.252 3.083 20 0 CGADHM Cc1ncc(-c2ccc([O-])c(F)c2)c(C(F)(F)F)n1 ZINC001240788082 821329566 /nfs/dbraw/zinc/32/95/66/821329566.db2.gz BJKFLQQKAORCGA-UHFFFAOYSA-N -1 3 272.201 3.316 20 0 CGADHM CN(C)c1ncc2cc(-c3ccc([O-])c(F)c3)ccc2n1 ZINC001240787081 821329792 /nfs/dbraw/zinc/32/97/92/821329792.db2.gz KHAWGFWLZYPHKV-UHFFFAOYSA-N -1 3 283.306 3.208 20 0 CGADHM Nc1ccc2cccc(-c3ccc([O-])c(F)c3)c2n1 ZINC001240787536 821330037 /nfs/dbraw/zinc/33/00/37/821330037.db2.gz JWFIUOZJVLDNHE-UHFFFAOYSA-N -1 3 254.264 3.329 20 0 CGADHM O=c1c(-c2ccc([O-])c(F)c2)cccn1C1CCC1 ZINC001240791316 821335010 /nfs/dbraw/zinc/33/50/10/821335010.db2.gz ZNKYAVDPCKSLGW-UHFFFAOYSA-N -1 3 259.280 3.085 20 0 CGADHM CN(C)/C=C/c1ccncc1-c1ccc(C(=O)[O-])s1 ZINC001240849095 821370089 /nfs/dbraw/zinc/37/00/89/821370089.db2.gz LKTQDEUSXCMGSR-SOFGYWHQSA-N -1 3 274.345 3.041 20 0 CGADHM COc1ccc(-c2ccc(-c3nnn[n-]3)cc2C)cc1C ZINC001240867545 821381606 /nfs/dbraw/zinc/38/16/06/821381606.db2.gz OZZNYRLOGIJORI-UHFFFAOYSA-N -1 3 280.331 3.159 20 0 CGADHM COc1ccc(-c2ccc(-c3nn[n-]n3)cc2C)cc1C ZINC001240867545 821381613 /nfs/dbraw/zinc/38/16/13/821381613.db2.gz OZZNYRLOGIJORI-UHFFFAOYSA-N -1 3 280.331 3.159 20 0 CGADHM Cc1ccc(F)cc1-c1cc(-c2nnn[n-]2)ccc1F ZINC001240923511 821418534 /nfs/dbraw/zinc/41/85/34/821418534.db2.gz ZYGYWUPDFIRBMZ-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM Cc1ccc(F)cc1-c1cc(-c2nn[n-]n2)ccc1F ZINC001240923511 821418536 /nfs/dbraw/zinc/41/85/36/821418536.db2.gz ZYGYWUPDFIRBMZ-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM Cc1c[nH]c2ncc(-c3ccc(-c4nnn[n-]4)cc3C)cc12 ZINC001240969158 821454364 /nfs/dbraw/zinc/45/43/64/821454364.db2.gz LDGQZEDCUGXUGX-UHFFFAOYSA-N -1 3 290.330 3.027 20 0 CGADHM Cc1c[nH]c2ncc(-c3ccc(-c4nn[n-]n4)cc3C)cc12 ZINC001240969158 821454369 /nfs/dbraw/zinc/45/43/69/821454369.db2.gz LDGQZEDCUGXUGX-UHFFFAOYSA-N -1 3 290.330 3.027 20 0 CGADHM Cc1cc(-c2ccccc2[O-])nc(C(F)(F)F)n1 ZINC001241001871 821481081 /nfs/dbraw/zinc/48/10/81/821481081.db2.gz LKIMWDLZKIGURQ-UHFFFAOYSA-N -1 3 254.211 3.176 20 0 CGADHM Cc1cc(-c2cncc(-c3nnn[n-]3)c2)ccc1OC(C)C ZINC001241222032 821647069 /nfs/dbraw/zinc/64/70/69/821647069.db2.gz GARRUBWUHYCHHA-UHFFFAOYSA-N -1 3 295.346 3.024 20 0 CGADHM Cc1cc(-c2cncc(-c3nn[n-]n3)c2)ccc1OC(C)C ZINC001241222032 821647076 /nfs/dbraw/zinc/64/70/76/821647076.db2.gz GARRUBWUHYCHHA-UHFFFAOYSA-N -1 3 295.346 3.024 20 0 CGADHM Cc1nc(-c2cccnc2)cc(-c2cc([O-])cc(F)c2)n1 ZINC001241261355 821680878 /nfs/dbraw/zinc/68/08/78/821680878.db2.gz LACHITUAYIORIN-UHFFFAOYSA-N -1 3 281.290 3.359 20 0 CGADHM CSc1nc2c(c(-c3cc([O-])cc(F)c3)n1)CCC2 ZINC001241261576 821680997 /nfs/dbraw/zinc/68/09/97/821680997.db2.gz BVVZKYADDHZVNX-UHFFFAOYSA-N -1 3 276.336 3.199 20 0 CGADHM C[C@H]1CCc2nnc(-c3cc([O-])cc(F)c3)cc2C1 ZINC001241261361 821681165 /nfs/dbraw/zinc/68/11/65/821681165.db2.gz LJNVWCUCSWGOJB-VIFPVBQESA-N -1 3 258.296 3.113 20 0 CGADHM CC1CCN(c2cncc(-c3cc([O-])cc(F)c3)n2)CC1 ZINC001241261462 821681357 /nfs/dbraw/zinc/68/13/57/821681357.db2.gz OVOKSWQCESOUNT-UHFFFAOYSA-N -1 3 287.338 3.225 20 0 CGADHM [O-]c1cc(F)cc(-c2cncc(C(F)(F)F)n2)c1 ZINC001241262389 821682067 /nfs/dbraw/zinc/68/20/67/821682067.db2.gz KIDVMUQIEJEIOB-UHFFFAOYSA-N -1 3 258.174 3.007 20 0 CGADHM COc1ncc(-c2cc([O-])cc(F)c2)c2cc[nH]c21 ZINC001241266461 821685336 /nfs/dbraw/zinc/68/53/36/821685336.db2.gz LXQCQNPFVHAXQV-UHFFFAOYSA-N -1 3 258.252 3.083 20 0 CGADHM O=C1CCc2ccc(-c3cc([O-])cc(F)c3)cc2N1 ZINC001241267596 821686926 /nfs/dbraw/zinc/68/69/26/821686926.db2.gz YPMORBWDUMVFPV-UHFFFAOYSA-N -1 3 257.264 3.083 20 0 CGADHM COC(=O)c1c(F)c(C)ccc1-c1cc([O-])cc(F)c1 ZINC001241280250 821698534 /nfs/dbraw/zinc/69/85/34/821698534.db2.gz GFZWWZGPXUTOIG-UHFFFAOYSA-N -1 3 278.254 3.432 20 0 CGADHM O=C1Nc2cccc(-c3cc([O-])cc(F)c3)c2C12CC2 ZINC001241280450 821698933 /nfs/dbraw/zinc/69/89/33/821698933.db2.gz MCMDGABGPFPAPO-UHFFFAOYSA-N -1 3 269.275 3.182 20 0 CGADHM CC1(C)Cc2ccc(-c3cc([O-])cc(F)c3)cc2C(=O)N1 ZINC001241282916 821702425 /nfs/dbraw/zinc/70/24/25/821702425.db2.gz PEXFYQOAWCHPHD-UHFFFAOYSA-N -1 3 285.318 3.263 20 0 CGADHM O=C1CCN1c1cccc(-c2c(F)ccc([O-])c2F)c1 ZINC001241293510 821711642 /nfs/dbraw/zinc/71/16/42/821711642.db2.gz HZBCBYAEUADTFX-UHFFFAOYSA-N -1 3 275.254 3.074 20 0 CGADHM O=c1ccc(-c2c(F)ccc([O-])c2F)cn1-c1ccccc1 ZINC001241294068 821712584 /nfs/dbraw/zinc/71/25/84/821712584.db2.gz JSCMLDUUHWLCJI-UHFFFAOYSA-N -1 3 299.276 3.488 20 0 CGADHM CN1CC=C(c2ccc3sc(=S)[n-]c3c2)CC1 ZINC001241322656 821731672 /nfs/dbraw/zinc/73/16/72/821731672.db2.gz QSTWEWXHOYNIAY-UHFFFAOYSA-N -1 3 262.403 3.304 20 0 CGADHM Fc1ccc(Cl)cc1-c1ccc(-c2nnn[n-]2)cc1 ZINC001241332475 821739632 /nfs/dbraw/zinc/73/96/32/821739632.db2.gz SQXDKJNQGAWUOH-UHFFFAOYSA-N -1 3 274.686 3.326 20 0 CGADHM Fc1ccc(Cl)cc1-c1ccc(-c2nn[n-]n2)cc1 ZINC001241332475 821739634 /nfs/dbraw/zinc/73/96/34/821739634.db2.gz SQXDKJNQGAWUOH-UHFFFAOYSA-N -1 3 274.686 3.326 20 0 CGADHM Cc1cccc2c(-c3ccc(-c4nnn[n-]4)cc3)ccnc12 ZINC001241445303 821841198 /nfs/dbraw/zinc/84/11/98/821841198.db2.gz LENIZDXONKOCDF-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM Cc1cccc2c(-c3ccc(-c4nn[n-]n4)cc3)ccnc12 ZINC001241445303 821841208 /nfs/dbraw/zinc/84/12/08/821841208.db2.gz LENIZDXONKOCDF-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM CC(C)Oc1c(F)cccc1-c1ccc(-c2nnn[n-]2)cc1 ZINC001241445830 821841985 /nfs/dbraw/zinc/84/19/85/821841985.db2.gz BTGLLLPBTJWBFG-UHFFFAOYSA-N -1 3 298.321 3.460 20 0 CGADHM CC(C)Oc1c(F)cccc1-c1ccc(-c2nn[n-]n2)cc1 ZINC001241445830 821841992 /nfs/dbraw/zinc/84/19/92/821841992.db2.gz BTGLLLPBTJWBFG-UHFFFAOYSA-N -1 3 298.321 3.460 20 0 CGADHM Fc1ccc(-c2nnn[n-]2)cc1-c1ccc2ccncc2c1 ZINC001241676842 822060111 /nfs/dbraw/zinc/06/01/11/822060111.db2.gz XNKZXQCVCZGGPP-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Fc1ccc(-c2nn[n-]n2)cc1-c1ccc2ccncc2c1 ZINC001241676842 822060120 /nfs/dbraw/zinc/06/01/20/822060120.db2.gz XNKZXQCVCZGGPP-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM CCCOc1ccc(-c2ccc(-c3nnn[n-]3)c(F)c2)cc1 ZINC001241747863 822120655 /nfs/dbraw/zinc/12/06/55/822120655.db2.gz LLEQBEPWGXZSJS-UHFFFAOYSA-N -1 3 298.321 3.462 20 0 CGADHM CCCOc1ccc(-c2ccc(-c3nn[n-]n3)c(F)c2)cc1 ZINC001241747863 822120659 /nfs/dbraw/zinc/12/06/59/822120659.db2.gz LLEQBEPWGXZSJS-UHFFFAOYSA-N -1 3 298.321 3.462 20 0 CGADHM C=Cc1cccc(-c2cc(F)cc(-c3nnn[n-]3)c2)c1 ZINC001241963104 822247657 /nfs/dbraw/zinc/24/76/57/822247657.db2.gz DGAJSCWEUPNZHO-UHFFFAOYSA-N -1 3 266.279 3.316 20 0 CGADHM C=Cc1cccc(-c2cc(F)cc(-c3nn[n-]n3)c2)c1 ZINC001241963104 822247658 /nfs/dbraw/zinc/24/76/58/822247658.db2.gz DGAJSCWEUPNZHO-UHFFFAOYSA-N -1 3 266.279 3.316 20 0 CGADHM CCc1ncncc1-c1ccc([O-])c(C(F)(F)F)c1 ZINC001242166767 822900749 /nfs/dbraw/zinc/90/07/49/822900749.db2.gz WTVHHNWQLPPCFF-UHFFFAOYSA-N -1 3 268.238 3.430 20 0 CGADHM CN(Cc1ccc(-c2ccc(F)cc2[O-])nc1)C1CC1 ZINC001242217939 822914841 /nfs/dbraw/zinc/91/48/41/822914841.db2.gz NZIDCENJSKCNCL-UHFFFAOYSA-N -1 3 272.323 3.188 20 0 CGADHM COC(=O)c1cc(F)ccc1-c1ccc(F)cc1[O-] ZINC001242217558 822915175 /nfs/dbraw/zinc/91/51/75/822915175.db2.gz DWMPYCPEJBIJBW-UHFFFAOYSA-N -1 3 264.227 3.124 20 0 CGADHM OCc1ccc(F)cc1-c1ccc2c(c1)[N-]C(=S)C2 ZINC001242342756 822956840 /nfs/dbraw/zinc/95/68/40/822956840.db2.gz CZMINHFQNAHWJM-UHFFFAOYSA-N -1 3 273.332 3.280 20 0 CGADHM O=C1CCCN1c1ccc(-c2cccc(F)c2[O-])cc1 ZINC001242351354 822961478 /nfs/dbraw/zinc/96/14/78/822961478.db2.gz HOFNRUDDFVJONL-UHFFFAOYSA-N -1 3 271.291 3.325 20 0 CGADHM COc1cc(-c2cccc(F)c2[O-])c2cc[nH]c2n1 ZINC001242353323 822962645 /nfs/dbraw/zinc/96/26/45/822962645.db2.gz MHIUSERZOGFQGQ-UHFFFAOYSA-N -1 3 258.252 3.083 20 0 CGADHM Cc1nc(C(=O)OC(C)C)ccc1-c1cccc(F)c1[O-] ZINC001242354337 822963195 /nfs/dbraw/zinc/96/31/95/822963195.db2.gz YSKCEMNYIWJBSZ-UHFFFAOYSA-N -1 3 289.306 3.467 20 0 CGADHM COC(=O)c1noc2ccc(-c3cccc(F)c3[O-])cc21 ZINC001242354317 822963318 /nfs/dbraw/zinc/96/33/18/822963318.db2.gz YCWUDIAQOQCCHI-UHFFFAOYSA-N -1 3 287.246 3.126 20 0 CGADHM Fc1cccc(-c2cc(-c3nnn[n-]3)ccc2F)c1Cl ZINC001242573738 823039508 /nfs/dbraw/zinc/03/95/08/823039508.db2.gz HMWULVMAZNRSQR-UHFFFAOYSA-N -1 3 292.676 3.465 20 0 CGADHM Fc1cccc(-c2cc(-c3nn[n-]n3)ccc2F)c1Cl ZINC001242573738 823039510 /nfs/dbraw/zinc/03/95/10/823039510.db2.gz HMWULVMAZNRSQR-UHFFFAOYSA-N -1 3 292.676 3.465 20 0 CGADHM O=C(Nc1cccc([O-])c1F)c1cc2c(o1)CCCC2 ZINC001348172502 936912830 /nfs/dbraw/zinc/91/28/30/936912830.db2.gz GHNAMGWIFOVGKX-UHFFFAOYSA-N -1 3 275.279 3.255 20 0 CGADHM CC(C)c1ccc(C(=O)N(C)CC(=O)C(C)(C)C)c([O-])c1 ZINC001353979122 937085293 /nfs/dbraw/zinc/08/52/93/937085293.db2.gz SVZHQGXLOLRIFP-UHFFFAOYSA-N -1 3 291.391 3.203 20 0 CGADHM Cc1cc(=O)[nH]c(NC(=O)c2ccc(C(C)C)cc2[O-])c1 ZINC001363460591 937231715 /nfs/dbraw/zinc/23/17/15/937231715.db2.gz ICXDSUYJGKJQGJ-UHFFFAOYSA-N -1 3 286.331 3.177 20 0 CGADHM CN(C(=O)c1cc2sccc2c([O-])c1)[C@@H]1CCSC1 ZINC001447169707 937367302 /nfs/dbraw/zinc/36/73/02/937367302.db2.gz OCGVVPBJKDKPDF-SNVBAGLBSA-N -1 3 293.413 3.184 20 0 CGADHM CC(C)=C[C@@H]1[C@@H](C(=O)[N-]OCc2cccc(C)n2)C1(C)C ZINC001454239240 937407524 /nfs/dbraw/zinc/40/75/24/937407524.db2.gz HOSBXVXOPWAKPL-CABCVRRESA-N -1 3 288.391 3.176 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2cc(C)cc(O)c2)c1 ZINC001454498189 937409015 /nfs/dbraw/zinc/40/90/15/937409015.db2.gz TTZICNCYFLXGRE-UHFFFAOYSA-N -1 3 271.316 3.221 20 0 CGADHM C[C@H]1CCC[C@H](C2CN(C(=O)c3ccccc3[O-])C2)C1 ZINC001455011064 937413761 /nfs/dbraw/zinc/41/37/61/937413761.db2.gz VIOLTDRYIXKOTJ-STQMWFEESA-N -1 3 273.376 3.291 20 0 CGADHM C[C@@H](NC(=O)c1cc([O-])c2ccccc2c1)C1(C)CC1 ZINC001456711655 937434709 /nfs/dbraw/zinc/43/47/09/937434709.db2.gz LNZUPLKQNHZUIN-LLVKDONJSA-N -1 3 269.344 3.464 20 0 CGADHM CC(=O)c1cc(C(C)C)c([O-])cc1OC[C@@H]1CCCO1 ZINC001228958566 932059709 /nfs/dbraw/zinc/05/97/09/932059709.db2.gz MOSKKJBKGTYLBG-LBPRGKRZSA-N -1 3 278.348 3.276 20 0 CGADHM [O-]c1cccc(OC[C@H]2CCC=CO2)c1Br ZINC001229139464 932103001 /nfs/dbraw/zinc/10/30/01/932103001.db2.gz HFBOHWOHAWNXBX-SECBINFHSA-N -1 3 285.137 3.226 20 0 CGADHM Cc1csc2[n-]c(=S)nc(OC3CC(F)(F)C3)c12 ZINC001229352683 932138200 /nfs/dbraw/zinc/13/82/00/932138200.db2.gz JOHZCCCQJCQXAY-UHFFFAOYSA-N -1 3 288.344 3.465 20 0 CGADHM Cc1cccc2c1CC[C@H]2Oc1ccccc1-c1nnn[n-]1 ZINC001229956966 932509970 /nfs/dbraw/zinc/50/99/70/932509970.db2.gz GXZKOHJSQZLOSY-MRXNPFEDSA-N -1 3 292.342 3.241 20 0 CGADHM Cc1cccc2c1CC[C@H]2Oc1ccccc1-c1nn[n-]n1 ZINC001229956966 932509973 /nfs/dbraw/zinc/50/99/73/932509973.db2.gz GXZKOHJSQZLOSY-MRXNPFEDSA-N -1 3 292.342 3.241 20 0 CGADHM C[C@@H]1CC[C@H](C)[C@H](Oc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001231072398 932671598 /nfs/dbraw/zinc/67/15/98/932671598.db2.gz CDPHPWFUZIQTIO-UHIISALHSA-N -1 3 272.352 3.070 20 0 CGADHM C[C@@H]1CCC[C@@H](C)C1Oc1ccc(-c2nn[n-]n2)cc1 ZINC001231076773 932672489 /nfs/dbraw/zinc/67/24/89/932672489.db2.gz MERNOWOWBNPWHY-GHMZBOCLSA-N -1 3 272.352 3.070 20 0 CGADHM O=C([N-]c1nocc1C1CC1)c1ccc(C(F)F)o1 ZINC001462555939 937650186 /nfs/dbraw/zinc/65/01/86/937650186.db2.gz PQRYKJGCYKNXPU-UHFFFAOYSA-N -1 3 268.219 3.335 20 0 CGADHM CC[C@H](Cc1ccccc1)NC(=O)c1c(C)cccc1[O-] ZINC001464760665 937695146 /nfs/dbraw/zinc/69/51/46/937695146.db2.gz PGAHWFUFYBFGLA-OAHLLOKOSA-N -1 3 283.371 3.452 20 0 CGADHM O=C(NCCCCC1CCCC1)c1ccccc1[O-] ZINC001465469262 937700997 /nfs/dbraw/zinc/70/09/97/937700997.db2.gz OUMVKWMMAWUWQM-UHFFFAOYSA-N -1 3 261.365 3.483 20 0 CGADHM Nc1c(F)c(Cl)ccc1C(=O)Nc1cc(F)ccc1[O-] ZINC001466631693 937710988 /nfs/dbraw/zinc/71/09/88/937710988.db2.gz VFGZYUXTTBHQKD-UHFFFAOYSA-N -1 3 298.676 3.158 20 0 CGADHM Cc1ccc(C(=O)Nc2cc([C@@H]3C[C@@H]3C)[nH]n2)c([O-])c1C ZINC001469429689 937739362 /nfs/dbraw/zinc/73/93/62/937739362.db2.gz ISWDKBMGGMEKIQ-JOYOIKCWSA-N -1 3 285.347 3.108 20 0 CGADHM C[C@H]1CCC[C@H]1CC(=O)[N-]Oc1ccccc1F ZINC001471718217 937768796 /nfs/dbraw/zinc/76/87/96/937768796.db2.gz HFDVLHCYEADQBQ-QWRGUYRKSA-N -1 3 251.301 3.062 20 0 CGADHM Cc1cc(=O)[n-]c(CN[C@H](C)c2cccc(C3CC3)c2)n1 ZINC001473503843 937809499 /nfs/dbraw/zinc/80/94/99/937809499.db2.gz NHGVAPYTFZHGTB-GFCCVEGCSA-N -1 3 283.375 3.219 20 0 CGADHM CC1(C)C[C@H](OC(=O)c2cc3sccc3c([O-])c2)CO1 ZINC001327978379 935104752 /nfs/dbraw/zinc/10/47/52/935104752.db2.gz MZIMHVLMDYQDCQ-JTQLQIEISA-N -1 3 292.356 3.331 20 0 CGADHM Cc1ccc(C(=O)NC[C@]2(C)CC2(Cl)Cl)c([O-])c1 ZINC001328065964 935114537 /nfs/dbraw/zinc/11/45/37/935114537.db2.gz DDRFQEBRZCRRGN-LBPRGKRZSA-N -1 3 288.174 3.014 20 0 CGADHM Cc1cnc2ccccc2c1N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001329237886 935197828 /nfs/dbraw/zinc/19/78/28/935197828.db2.gz XEWYDNYXPDOIHG-QWHCGFSZSA-N -1 3 284.359 3.090 20 0 CGADHM CC(C)O[N-]C(=O)CCc1cccc(C(F)(F)F)c1 ZINC001330659525 935308196 /nfs/dbraw/zinc/30/81/96/935308196.db2.gz KKLVUHSZJSVQDP-UHFFFAOYSA-N -1 3 275.270 3.094 20 0 CGADHM CC(C)CO[N-]C(=O)CC(C)(C)CC(F)(F)F ZINC001330700158 935314196 /nfs/dbraw/zinc/31/41/96/935314196.db2.gz MJAJIGIUUBQUGQ-UHFFFAOYSA-N -1 3 255.280 3.059 20 0 CGADHM C[C@]1(c2ccccc2)CCCN1C(=O)c1ccc(N)cc1[O-] ZINC001332070696 935437524 /nfs/dbraw/zinc/43/75/24/935437524.db2.gz ZYSPSFGHQYRYRZ-GOSISDBHSA-N -1 3 296.370 3.126 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1Cc2ccccc2[C@H](C)C1 ZINC001332506914 935474847 /nfs/dbraw/zinc/47/48/47/935474847.db2.gz FMAKMQOCRUBFFJ-CYBMUJFWSA-N -1 3 281.355 3.460 20 0 CGADHM Cc1cc(=O)[n-]c(NC[C@@H]2CCCO[C@H]2c2ccccc2)n1 ZINC001337746793 936285709 /nfs/dbraw/zinc/28/57/09/936285709.db2.gz RJQZZSYFARFSFP-HOCLYGCPSA-N -1 3 299.374 3.070 20 0 CGADHM [O-]c1ccc(CNCc2cccc3cc[nH]c32)c(F)c1F ZINC001474446258 937860244 /nfs/dbraw/zinc/86/02/44/937860244.db2.gz QXIFCFPMRGWVDI-UHFFFAOYSA-N -1 3 288.297 3.442 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCC23CCCCC3)o1 ZINC001475491298 937883986 /nfs/dbraw/zinc/88/39/86/937883986.db2.gz OXCQOQZLJMOURN-CYBMUJFWSA-N -1 3 297.420 3.369 20 0 CGADHM Cc1cc(C(=O)[N-]c2c(F)ccnc2F)c(F)cc1F ZINC001527210370 938060734 /nfs/dbraw/zinc/06/07/34/938060734.db2.gz NLOOLFWKXCVKNO-UHFFFAOYSA-N -1 3 284.212 3.199 20 0 CGADHM CC(C)(C)CC(C)(C)C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC001538336117 938117284 /nfs/dbraw/zinc/11/72/84/938117284.db2.gz RQRDOSJTXIYMNB-UHFFFAOYSA-N -1 3 290.367 3.466 20 0 CGADHM CCN(C(=O)c1cc2sccc2c([O-])c1)C(C)C ZINC001542171401 938135332 /nfs/dbraw/zinc/13/53/32/938135332.db2.gz KLJBTSGLLCYYFM-UHFFFAOYSA-N -1 3 263.362 3.477 20 0 CGADHM CCCC(O)(CCC)CNC(=O)c1ccc(CC)cc1[O-] ZINC001544547944 938145760 /nfs/dbraw/zinc/14/57/60/938145760.db2.gz IYHSGMCZUXOXPX-UHFFFAOYSA-N -1 3 293.407 3.016 20 0 CGADHM O=C(c1ccccc1[O-])N1C[C@H](C2CC2)C[C@H]1C1CC1 ZINC001551059869 938175577 /nfs/dbraw/zinc/17/55/77/938175577.db2.gz RYYDPZBJXNVVEV-HIFRSBDPSA-N -1 3 271.360 3.043 20 0 CGADHM O=C(c1ccccc1[O-])N1CCCCC2(CCC2)C1 ZINC001551636170 938183336 /nfs/dbraw/zinc/18/33/36/938183336.db2.gz DKEIXZKIEUZANZ-UHFFFAOYSA-N -1 3 259.349 3.189 20 0 CGADHM CC(C)(C)O[N-]C(=O)C[C@@H]1C[C@@H]1Cc1ccccc1 ZINC001553236008 938197558 /nfs/dbraw/zinc/19/75/58/938197558.db2.gz PXAFURIMCLWAKK-KBPBESRZSA-N -1 3 261.365 3.102 20 0 CGADHM CSc1ccc([O-])c(C(=O)NC[C@@H]2CCC[C@H]2C)c1 ZINC001556342941 938203226 /nfs/dbraw/zinc/20/32/26/938203226.db2.gz FSBSFVBOZJVYQL-MNOVXSKESA-N -1 3 279.405 3.280 20 0 CGADHM CSc1ccc([O-])c(C(=O)NC[C@@H]2CC[C@H]3C[C@H]3C2)c1 ZINC001557633513 938211250 /nfs/dbraw/zinc/21/12/50/938211250.db2.gz GAUJJEBICJPRLY-GRYCIOLGSA-N -1 3 291.416 3.280 20 0 CGADHM CCc1ccc(C(=O)NCc2cccc(F)c2F)c([O-])c1 ZINC001557767161 938211761 /nfs/dbraw/zinc/21/17/61/938211761.db2.gz LGLLWUJIYIVHDM-UHFFFAOYSA-N -1 3 291.297 3.163 20 0 CGADHM Cc1ccc(C(=O)NCC[C@H]2CCCC2(F)F)c([O-])c1 ZINC001558113687 938213530 /nfs/dbraw/zinc/21/35/30/938213530.db2.gz LUFQLZVXKRTHST-LLVKDONJSA-N -1 3 283.318 3.256 20 0 CGADHM O=c1cc(CN2CCCc3cc(F)ccc32)nc(C2CC2)[n-]1 ZINC001559609503 938231089 /nfs/dbraw/zinc/23/10/89/938231089.db2.gz GMSXTHIGVRJGPN-UHFFFAOYSA-N -1 3 299.349 3.152 20 0 CGADHM CCN1CCN(Cc2ccc([O-])c(F)c2)c2ccccc21 ZINC001560744092 938273627 /nfs/dbraw/zinc/27/36/27/938273627.db2.gz FXPUUWOOQCCEPY-UHFFFAOYSA-N -1 3 286.350 3.378 20 0 CGADHM O=S(=O)([N-]CCCC1CCC1)c1ccc(Cl)s1 ZINC001561761791 938296362 /nfs/dbraw/zinc/29/63/62/938296362.db2.gz XGRHDPVKRVTTLE-UHFFFAOYSA-N -1 3 293.841 3.260 20 0 CGADHM C[C@H]1CCCN(Cc2cccc(F)c2Cl)[C@H]1C(=O)[O-] ZINC000300269129 950537500 /nfs/dbraw/zinc/53/75/00/950537500.db2.gz BVECWBJJYHDRKP-TVQRCGJNSA-N -1 3 285.746 3.164 20 0 CGADHM Cc1ccccc1CN(Cc1ccc(C(=O)[O-])o1)C1CC1 ZINC000035219082 957201941 /nfs/dbraw/zinc/20/19/41/957201941.db2.gz GIHUDVHDPPREMY-UHFFFAOYSA-N -1 3 285.343 3.451 20 0 CGADHM CCC1CCN(Cc2cc(C(=O)[O-])ccc2F)CC1 ZINC000062755955 957609732 /nfs/dbraw/zinc/60/97/32/957609732.db2.gz CFLLLPHLWQLBEK-UHFFFAOYSA-N -1 3 265.328 3.146 20 0 CGADHM CC[C@H](C)[C@H](C)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000227031154 959913006 /nfs/dbraw/zinc/91/30/06/959913006.db2.gz BQORUZFUSTZARP-HUBLWGQQSA-N -1 3 261.365 3.105 20 0 CGADHM C[C@H](c1c(F)cccc1F)N1CCC[C@](C)(C(=O)[O-])C1 ZINC000227831936 959972913 /nfs/dbraw/zinc/97/29/13/959972913.db2.gz QNKKAJJEOAWPPI-BMIGLBTASA-N -1 3 283.318 3.213 20 0 CGADHM O=C([O-])[C@H](N[C@H]1CCC(F)(F)C1)c1ccccc1Cl ZINC001601665807 960547050 /nfs/dbraw/zinc/54/70/50/960547050.db2.gz HDIAVDDGDYFCNF-GZMMTYOYSA-N -1 3 289.709 3.243 20 0 CGADHM Cc1nonc1[N-]C(=O)c1cc(Cl)cc(Cl)c1F ZINC001520350168 960553832 /nfs/dbraw/zinc/55/38/32/960553832.db2.gz LRONQFFXICFCLR-UHFFFAOYSA-N -1 3 290.081 3.076 20 0 CGADHM CCCCCC[C@](C)(CC)C(=O)Nc1nnc(OC)[n-]1 ZINC001566428448 960925590 /nfs/dbraw/zinc/92/55/90/960925590.db2.gz YPCXGMTYMZLSAF-AWEZNQCLSA-N -1 3 282.388 3.139 20 0 CGADHM CCCCCC[C@](C)(CC)C(=O)Nc1n[n-]c(OC)n1 ZINC001566428448 960925603 /nfs/dbraw/zinc/92/56/03/960925603.db2.gz YPCXGMTYMZLSAF-AWEZNQCLSA-N -1 3 282.388 3.139 20 0 CGADHM CCCCCC[C@](C)(CC)C(=O)Nc1nc(OC)n[n-]1 ZINC001566428448 960925627 /nfs/dbraw/zinc/92/56/27/960925627.db2.gz YPCXGMTYMZLSAF-AWEZNQCLSA-N -1 3 282.388 3.139 20 0 CGADHM CC(C)c1oncc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC001567234070 961145000 /nfs/dbraw/zinc/14/50/00/961145000.db2.gz CMYSSXZKNYCSAX-UHFFFAOYSA-N -1 3 280.711 3.409 20 0 CGADHM C/C(=C/C(=O)[N-]OCc1ccc(F)cc1)c1ccco1 ZINC001567455159 961355486 /nfs/dbraw/zinc/35/54/86/961355486.db2.gz VPKYQWDVYIKNGB-LUAWRHEFSA-N -1 3 275.279 3.070 20 0 CGADHM CSc1ccc([O-])c(C(=O)N[C@H]2C[C@H]2c2ccccc2)c1 ZINC001568335120 961554826 /nfs/dbraw/zinc/55/48/26/961554826.db2.gz XEGYDWIOACFGNK-ZFWWWQNUSA-N -1 3 299.395 3.400 20 0 CGADHM CCc1ccc(C(=O)N[C@H]2c3ccccc3O[C@H]2C)c([O-])c1 ZINC001570020100 961881651 /nfs/dbraw/zinc/88/16/51/961881651.db2.gz REJPVNSSQQCWEC-APPDUMDISA-N -1 3 297.354 3.207 20 0 CGADHM CCc1ccc(C(=O)N[C@H]2c3ccccc3O[C@@H]2C)c([O-])c1 ZINC001570020103 961885743 /nfs/dbraw/zinc/88/57/43/961885743.db2.gz REJPVNSSQQCWEC-PIGZYNQJSA-N -1 3 297.354 3.207 20 0 CGADHM CC(C)c1ccc(C(=O)N[C@@H]2C[C@H]3C[C@H]3C2)c([O-])c1 ZINC001570480398 961978531 /nfs/dbraw/zinc/97/85/31/961978531.db2.gz KIMIKUVXTUOQLX-CLLJXQQHSA-N -1 3 259.349 3.044 20 0 CGADHM CC(C)C(C)(C)CSc1ccncc1-c1nnn[n-]1 ZINC001573994709 962296229 /nfs/dbraw/zinc/29/62/29/962296229.db2.gz KDRZIUSVDSOXAV-UHFFFAOYSA-N -1 3 277.397 3.036 20 0 CGADHM CC(C)C(C)(C)CSc1ccncc1-c1nn[n-]n1 ZINC001573994709 962296248 /nfs/dbraw/zinc/29/62/48/962296248.db2.gz KDRZIUSVDSOXAV-UHFFFAOYSA-N -1 3 277.397 3.036 20 0 CGADHM CSc1ccc([C@H](C)NCc2c[nH]c(C(=O)[O-])c2)cc1 ZINC001574655562 962315297 /nfs/dbraw/zinc/31/52/97/962315297.db2.gz SKPAQYGSTPJKIF-JTQLQIEISA-N -1 3 290.388 3.286 20 0 CGADHM C[C@@H](CNc1cc(F)cc(-c2nnn[n-]2)c1)C(C)(C)C ZINC001575125509 962356906 /nfs/dbraw/zinc/35/69/06/962356906.db2.gz ZJEXHGKIXLHGME-VIFPVBQESA-N -1 3 277.347 3.100 20 0 CGADHM C[C@@H](CNc1cc(F)cc(-c2nn[n-]n2)c1)C(C)(C)C ZINC001575125509 962356923 /nfs/dbraw/zinc/35/69/23/962356923.db2.gz ZJEXHGKIXLHGME-VIFPVBQESA-N -1 3 277.347 3.100 20 0 CGADHM C[C@H]1CCCC[C@@H]1COc1ccccc1-c1nnn[n-]1 ZINC001576171439 962440249 /nfs/dbraw/zinc/44/02/49/962440249.db2.gz QHAZOKRCFOIPLI-NWDGAFQWSA-N -1 3 272.352 3.072 20 0 CGADHM C[C@H]1CCCC[C@@H]1COc1ccccc1-c1nn[n-]n1 ZINC001576171439 962440257 /nfs/dbraw/zinc/44/02/57/962440257.db2.gz QHAZOKRCFOIPLI-NWDGAFQWSA-N -1 3 272.352 3.072 20 0 CGADHM CCC1(CNc2ccc(-c3nnn[n-]3)cn2)CCCCC1 ZINC001577113877 962511354 /nfs/dbraw/zinc/51/13/54/962511354.db2.gz JCOSSDVPFRAUOQ-UHFFFAOYSA-N -1 3 286.383 3.034 20 0 CGADHM CCC1(CNc2ccc(-c3nn[n-]n3)cn2)CCCCC1 ZINC001577113877 962511355 /nfs/dbraw/zinc/51/13/55/962511355.db2.gz JCOSSDVPFRAUOQ-UHFFFAOYSA-N -1 3 286.383 3.034 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])[C@H]1CNc2ccccc21 ZINC001580759752 962737460 /nfs/dbraw/zinc/73/74/60/962737460.db2.gz SBYJVUUBMBVTDQ-NSHDSACASA-N -1 3 288.734 3.193 20 0 CGADHM Cc1ccc(SC/C=C\Cl)c(-c2nnn[n-]2)c1 ZINC001581213609 962748544 /nfs/dbraw/zinc/74/85/44/962748544.db2.gz AYLYMMFNRJQJAV-DJWKRKHSSA-N -1 3 266.757 3.020 20 0 CGADHM Cc1ccc(SC/C=C\Cl)c(-c2nn[n-]n2)c1 ZINC001581213609 962748558 /nfs/dbraw/zinc/74/85/58/962748558.db2.gz AYLYMMFNRJQJAV-DJWKRKHSSA-N -1 3 266.757 3.020 20 0 CGADHM Cc1nc(NC(C)(C)CC(C)(C)C)ccc1-c1nnn[n-]1 ZINC001581490717 962750276 /nfs/dbraw/zinc/75/02/76/962750276.db2.gz XYWKPAXBRPVOJZ-UHFFFAOYSA-N -1 3 288.399 3.197 20 0 CGADHM Cc1nc(NC(C)(C)CC(C)(C)C)ccc1-c1nn[n-]n1 ZINC001581490717 962750283 /nfs/dbraw/zinc/75/02/83/962750283.db2.gz XYWKPAXBRPVOJZ-UHFFFAOYSA-N -1 3 288.399 3.197 20 0 CGADHM Fc1cc(-c2nnn[n-]2)ccc1SCCCC1CC1 ZINC001581852110 962754609 /nfs/dbraw/zinc/75/46/09/962754609.db2.gz LKFYOQCJPAMPCQ-UHFFFAOYSA-N -1 3 278.356 3.288 20 0 CGADHM Fc1cc(-c2nn[n-]n2)ccc1SCCCC1CC1 ZINC001581852110 962754618 /nfs/dbraw/zinc/75/46/18/962754618.db2.gz LKFYOQCJPAMPCQ-UHFFFAOYSA-N -1 3 278.356 3.288 20 0 CGADHM Cc1cccc(CO[N-]C(=O)C[C@@H](C)CC(C)(C)C)n1 ZINC001586074537 963064596 /nfs/dbraw/zinc/06/45/96/963064596.db2.gz YTCOHTZQKCJPDN-GFCCVEGCSA-N -1 3 278.396 3.400 20 0 CGADHM C1=C[C@@H]2C[C@H]1C[C@@H]2CSc1cccc(-c2nnn[n-]2)c1 ZINC001588387795 963266427 /nfs/dbraw/zinc/26/64/27/963266427.db2.gz XOFUXHCMMKZSPT-DMDPSCGWSA-N -1 3 284.388 3.171 20 0 CGADHM C1=C[C@@H]2C[C@H]1C[C@@H]2CSc1cccc(-c2nn[n-]n2)c1 ZINC001588387795 963266438 /nfs/dbraw/zinc/26/64/38/963266438.db2.gz XOFUXHCMMKZSPT-DMDPSCGWSA-N -1 3 284.388 3.171 20 0 CGADHM CC(C)CCCCN[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC000315291485 963875522 /nfs/dbraw/zinc/87/55/22/963875522.db2.gz HNLVSUKMQVRHRH-JTQLQIEISA-N -1 3 270.398 3.318 20 0 CGADHM O=C([O-])c1cc(F)ccc1CN1CCC2(CC2(F)F)CC1 ZINC000405089957 973763485 /nfs/dbraw/zinc/76/34/85/973763485.db2.gz VRYJWSZMOAZKOK-UHFFFAOYSA-N -1 3 299.292 3.145 20 0 CGADHM CCC[C@H](CN[C@@H](C(=O)[O-])c1ccccc1Cl)OCC ZINC001595593043 981555036 /nfs/dbraw/zinc/55/50/36/981555036.db2.gz RATMSTBHYCRNLB-BXUZGUMPSA-N -1 3 299.798 3.261 20 0 CGADHM CCCCCN[C@H](C(=O)[O-])c1c(F)cccc1Cl ZINC001595722331 982340722 /nfs/dbraw/zinc/34/07/22/982340722.db2.gz WRPYJAMYVPJWQT-LBPRGKRZSA-N -1 3 273.735 3.385 20 0 CGADHM CCCc1nc(CN[C@@H](C(=O)[O-])C2CCCCC2)cs1 ZINC001596089888 983413923 /nfs/dbraw/zinc/41/39/23/983413923.db2.gz PYCCMZNNAFETQM-CQSZACIVSA-N -1 3 296.436 3.219 20 0 CGADHM CCN([C@H](C)c1ncc(C(=O)[O-])s1)C(C)(C)C ZINC001596180792 983550469 /nfs/dbraw/zinc/55/04/69/983550469.db2.gz HROKWDUHAVFWBM-MRVPVSSYSA-N -1 3 256.371 3.023 20 0 CGADHM C[C@H]1CC[C@@](C)(CNCc2ncc(C(=O)[O-])s2)C1(C)C ZINC001599908172 984949764 /nfs/dbraw/zinc/94/97/64/984949764.db2.gz NTWPNKIBCYZLKW-BONVTDFDSA-N -1 3 296.436 3.393 20 0 CGADHM CCOc1cccc(Cl)c1CN1CCC[C@H]1CC(=O)[O-] ZINC001597155224 986948280 /nfs/dbraw/zinc/94/82/80/986948280.db2.gz JEFYOUKZBQMTCE-NSHDSACASA-N -1 3 297.782 3.178 20 0 CGADHM CC[C@H](NCc1ccoc1C(=O)[O-])c1ccc(F)cc1 ZINC001597349740 987487810 /nfs/dbraw/zinc/48/78/10/987487810.db2.gz VSVDYQYSECQCFK-ZDUSSCGKSA-N -1 3 277.295 3.358 20 0 CGADHM C[C@@H](N[C@H](C(=O)[O-])c1c(F)cccc1Cl)C1(C)CC1 ZINC001593189217 994110931 /nfs/dbraw/zinc/11/09/31/994110931.db2.gz FHLKPZAGOHHPAA-PELKAZGASA-N -1 3 285.746 3.383 20 0 CGADHM C[C@@H](N[C@@H](C(=O)[O-])c1cccc(Cl)c1)c1cccnc1 ZINC001593194673 994138975 /nfs/dbraw/zinc/13/89/75/994138975.db2.gz LFKFWQVRLAIWSU-QMTHXVAHSA-N -1 3 290.750 3.212 20 0 CGADHM C[C@H](c1ccc(C(=O)[O-])o1)N1CC[C@@H](CC(F)(F)F)C1 ZINC001593686382 996122342 /nfs/dbraw/zinc/12/23/42/996122342.db2.gz ODRQFIOVFDCWLY-BDAKNGLRSA-N -1 3 291.269 3.313 20 0 CGADHM C[C@@H](c1nc(C(=O)[O-])co1)N1CCCC2(CCCC2)CC1 ZINC001593730993 996299362 /nfs/dbraw/zinc/29/93/62/996299362.db2.gz WDTHURUHVCBXAA-LBPRGKRZSA-N -1 3 292.379 3.480 20 0 CGADHM CCCc1ccc(CNCc2ncccc2[O-])s1 ZINC000621350423 349504801 /nfs/dbraw/zinc/50/48/01/349504801.db2.gz IKMAJWHYKMZOQR-UHFFFAOYSA-N -1 3 262.378 3.091 20 0 CGADHM CCN(C(=O)c1cc(F)cc2[n-]nnc21)c1cccc(C)c1 ZINC000337511340 214130693 /nfs/dbraw/zinc/13/06/93/214130693.db2.gz VHZAULSYSVPDLL-UHFFFAOYSA-N -1 3 298.321 3.072 20 0 CGADHM CCN(C(=O)c1cc(F)cc2nn[n-]c21)c1cccc(C)c1 ZINC000337511340 214130695 /nfs/dbraw/zinc/13/06/95/214130695.db2.gz VHZAULSYSVPDLL-UHFFFAOYSA-N -1 3 298.321 3.072 20 0 CGADHM CCN(C(=O)c1cc(F)cc2n[n-]nc21)c1cccc(C)c1 ZINC000337511340 214130697 /nfs/dbraw/zinc/13/06/97/214130697.db2.gz VHZAULSYSVPDLL-UHFFFAOYSA-N -1 3 298.321 3.072 20 0 CGADHM CO[C@@H]1Cc2ccccc2N(Cc2cc([O-])cc(F)c2)C1 ZINC000337523927 214138144 /nfs/dbraw/zinc/13/81/44/214138144.db2.gz AQGYJSPBVCOCRH-MRXNPFEDSA-N -1 3 287.334 3.109 20 0 CGADHM C[C@@H]1CCN(C(=O)Cc2ccc([O-])cc2Cl)C[C@@H](C)C1 ZINC000337655491 214199567 /nfs/dbraw/zinc/19/95/67/214199567.db2.gz MYBDUKZZEBLIAE-NEPJUHHUSA-N -1 3 295.810 3.483 20 0 CGADHM O=C(c1cc(F)c[n-]c1=O)N1CCC[C@@H]1C1CCCCC1 ZINC000621664682 349554089 /nfs/dbraw/zinc/55/40/89/349554089.db2.gz CRVUNKUPQVBNRZ-CQSZACIVSA-N -1 3 292.354 3.111 20 0 CGADHM COc1c2ccccc2[nH]c1C(=O)Nc1ccccc1[O-] ZINC000350704875 219051807 /nfs/dbraw/zinc/05/18/07/219051807.db2.gz YMXLCCYJYYEDQV-UHFFFAOYSA-N -1 3 282.299 3.134 20 0 CGADHM CCCC[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccccc1F ZINC000590072626 346825241 /nfs/dbraw/zinc/82/52/41/346825241.db2.gz VOOSSUIDKDTWGW-GXTWGEPZSA-N -1 3 299.411 3.463 20 0 CGADHM O=C(Nc1ccc([O-])cc1F)[C@H]1C[C@H]1C1CCCC1 ZINC000651687443 398269652 /nfs/dbraw/zinc/26/96/52/398269652.db2.gz CPYBTBAKUSVGBS-RYUDHWBXSA-N -1 3 263.312 3.296 20 0 CGADHM O=C(N[C@H]1CC12CCCC2)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621973775 349615656 /nfs/dbraw/zinc/61/56/56/349615656.db2.gz XTOMIPQXWJCLRR-LBPRGKRZSA-N -1 3 299.292 3.474 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@@H]1CCCC2(CC2)C1 ZINC000622122414 349632182 /nfs/dbraw/zinc/63/21/82/349632182.db2.gz JQSBULADESRFCD-GFCCVEGCSA-N -1 3 275.396 3.172 20 0 CGADHM CC[C@@H](C)[C@H](OC)c1nc(-c2ccc([O-])cc2)no1 ZINC000436869441 529425405 /nfs/dbraw/zinc/42/54/05/529425405.db2.gz LGGHKAHHEZUPKX-SKDRFNHKSA-N -1 3 262.309 3.176 20 0 CGADHM CC[C@@H](C)n1nc(C(=O)Nc2ccc([O-])cc2F)cc1C ZINC000436750464 529438815 /nfs/dbraw/zinc/43/88/15/529438815.db2.gz XHMPERKPNJWERE-SECBINFHSA-N -1 3 291.326 3.260 20 0 CGADHM CCc1cccc(C(=O)N[C@H](C)c2ccc(OC)cc2)c1[O-] ZINC000622297602 349669476 /nfs/dbraw/zinc/66/94/76/349669476.db2.gz FAYCWZCMPTZMCK-GFCCVEGCSA-N -1 3 299.370 3.454 20 0 CGADHM CN(CCC1CCCCC1)C(=O)c1c([O-])cccc1O ZINC000125761338 187198743 /nfs/dbraw/zinc/19/87/43/187198743.db2.gz SLYJPIXGHXFXOO-UHFFFAOYSA-N -1 3 277.364 3.140 20 0 CGADHM CCc1cc(C(=O)N2[C@@H](C)CC[C@@H]2CC)ccc1[O-] ZINC000436704175 529515734 /nfs/dbraw/zinc/51/57/34/529515734.db2.gz JGDPCPHKAOVSIZ-FZMZJTMJSA-N -1 3 261.365 3.358 20 0 CGADHM CC[C@@]1(C(C)C)C[C@@H]1NC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000412429998 529520376 /nfs/dbraw/zinc/52/03/76/529520376.db2.gz UDNBICKRXUSWHG-RDJZCZTQSA-N -1 3 289.375 3.149 20 0 CGADHM CCc1ccc(-c2nc([C@](C)(OC)C3CC3)no2)c([O-])c1 ZINC000436951134 529577470 /nfs/dbraw/zinc/57/74/70/529577470.db2.gz DKWHIVNWHIBXTH-MRXNPFEDSA-N -1 3 288.347 3.276 20 0 CGADHM Cc1cc(C(=O)N=c2cc(-c3ccccc3C)[n-][nH]2)c(C)[nH]1 ZINC000622899003 349725499 /nfs/dbraw/zinc/72/54/99/349725499.db2.gz NRPMNKCEYXXHMW-UHFFFAOYSA-N -1 3 294.358 3.004 20 0 CGADHM CCc1ccc(C(=O)NC(C)(C)c2nccs2)c([O-])c1 ZINC000191676434 529601919 /nfs/dbraw/zinc/60/19/19/529601919.db2.gz XRPIZAQRIJKRCX-UHFFFAOYSA-N -1 3 290.388 3.076 20 0 CGADHM CCc1cnccc1[C@H](C)NC(=O)c1cccc(C)c1[O-] ZINC000436793550 529681339 /nfs/dbraw/zinc/68/13/39/529681339.db2.gz SJHZPLAKRZLTNU-LBPRGKRZSA-N -1 3 284.359 3.149 20 0 CGADHM O=C([N-]c1nc(-c2ccccc2)co1)c1conc1C1CC1 ZINC000351605261 219143341 /nfs/dbraw/zinc/14/33/41/219143341.db2.gz YKKJRUWZCIKRNG-UHFFFAOYSA-N -1 3 295.298 3.459 20 0 CGADHM CN(Cc1nc(=O)c2sccc2[n-]1)C1CCCCC1 ZINC000016445576 530024006 /nfs/dbraw/zinc/02/40/06/530024006.db2.gz DNSCKHOZEFGJTB-UHFFFAOYSA-N -1 3 277.393 3.161 20 0 CGADHM Cc1nn(C(C)C)cc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000012015957 344879338 /nfs/dbraw/zinc/87/93/38/344879338.db2.gz BHMWLQALWHJITQ-UHFFFAOYSA-N -1 3 293.754 3.384 20 0 CGADHM Cc1ccc(NC(=O)/C=C/c2ccc(C#N)cc2)c([O-])c1 ZINC000015922920 344885396 /nfs/dbraw/zinc/88/53/96/344885396.db2.gz MPIZAFREZWYCOX-VQHVLOKHSA-N -1 3 278.311 3.224 20 0 CGADHM CS[C@@H]1CCCC[C@H]1N=c1[n-]c(C(C)=O)c(C)s1 ZINC000593485171 347085210 /nfs/dbraw/zinc/08/52/10/347085210.db2.gz OIVTZWRCPFVNRJ-GHMZBOCLSA-N -1 3 284.450 3.162 20 0 CGADHM CC1=NN(c2ccc(C(=O)Nc3ccccc3[O-])cc2)CC1 ZINC000045877224 345031460 /nfs/dbraw/zinc/03/14/60/345031460.db2.gz QZWBNHRLQVSMIY-UHFFFAOYSA-N -1 3 295.342 3.231 20 0 CGADHM Cc1ccc(CNC(=O)c2ccc(C(C)C)cc2[O-])cn1 ZINC000053801710 345125757 /nfs/dbraw/zinc/12/57/57/345125757.db2.gz XXNHGKPXGQNPJO-UHFFFAOYSA-N -1 3 284.359 3.149 20 0 CGADHM O=C(NC1CCCCCCC1)c1cc(=O)c2ccccc2[n-]1 ZINC000061172642 345227498 /nfs/dbraw/zinc/22/74/98/345227498.db2.gz QZWMXKLTRGEAMI-UHFFFAOYSA-N -1 3 298.386 3.371 20 0 CGADHM COc1ccc(Cl)cc1CN1CCC[C@](C)(C(=O)[O-])C1 ZINC000062876542 345241104 /nfs/dbraw/zinc/24/11/04/345241104.db2.gz AJUAACSEMUNMPX-HNNXBMFYSA-N -1 3 297.782 3.035 20 0 CGADHM FCCSc1nnc([N-]c2ccccc2F)s1 ZINC000078929649 345624532 /nfs/dbraw/zinc/62/45/32/345624532.db2.gz DZSWYTRISYENNB-UHFFFAOYSA-N -1 3 273.333 3.482 20 0 CGADHM C[C@H](c1cccc(F)c1)N1CCC(CCC(=O)[O-])CC1 ZINC000086755813 345750675 /nfs/dbraw/zinc/75/06/75/345750675.db2.gz AQHOYNJICLGYGJ-GFCCVEGCSA-N -1 3 279.355 3.464 20 0 CGADHM C[C@@H](CCC[C@H](C)C(=O)[O-])NCc1ccc(F)cc1F ZINC000087678007 345756997 /nfs/dbraw/zinc/75/69/97/345756997.db2.gz FUCIEIJJKUNXSG-QWRGUYRKSA-N -1 3 285.334 3.334 20 0 CGADHM O=C(Nc1cc(C(F)(F)F)ccc1[O-])[C@H]1CCCS1 ZINC000081459010 345709938 /nfs/dbraw/zinc/70/99/38/345709938.db2.gz FLAIHVYQJSPCRT-SNVBAGLBSA-N -1 3 291.294 3.245 20 0 CGADHM CSc1nsc([N-]C(=O)c2sccc2C2CC2)n1 ZINC000084629792 345738164 /nfs/dbraw/zinc/73/81/64/345738164.db2.gz WYZGRBXNDWLSAR-UHFFFAOYSA-N -1 3 297.430 3.451 20 0 CGADHM COc1ccc([O-])c(C(=O)Nc2cncc3ccccc32)c1 ZINC000089277329 345767541 /nfs/dbraw/zinc/76/75/41/345767541.db2.gz USAKWEKYGMZNTH-UHFFFAOYSA-N -1 3 294.310 3.201 20 0 CGADHM CCc1cccc(C(=O)N2C[C@H](C)CC[C@@H]2C)c1[O-] ZINC000091989910 345827112 /nfs/dbraw/zinc/82/71/12/345827112.db2.gz LTVVLUYXUOECSF-NEPJUHHUSA-N -1 3 261.365 3.215 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CCC(C(C)C)CC2)c1 ZINC000174380760 232300147 /nfs/dbraw/zinc/30/01/47/232300147.db2.gz HKAODRIWTYAUFL-UHFFFAOYSA-N -1 3 261.365 3.209 20 0 CGADHM Cc1ccc([O-])c(C(=O)NC[C@H](c2cccnc2)C(C)C)c1 ZINC000175259705 232315623 /nfs/dbraw/zinc/31/56/23/232315623.db2.gz CLDKNOILSYIYQU-INIZCTEOSA-N -1 3 298.386 3.265 20 0 CGADHM Cc1ccc2c(c1)N(C(=O)c1ccc(C)cc1[O-])CC2 ZINC000122004987 346003461 /nfs/dbraw/zinc/00/34/61/346003461.db2.gz UJUCAYSWXUDHCH-UHFFFAOYSA-N -1 3 267.328 3.212 20 0 CGADHM CC(=O)c1cccc(NC(=O)c2ccc(C)cc2)c1[O-] ZINC000147659466 346126884 /nfs/dbraw/zinc/12/68/84/346126884.db2.gz UXMCQRRZRATAGP-UHFFFAOYSA-N -1 3 269.300 3.156 20 0 CGADHM [O-]c1cccc(CN2CC[C@H](C3CC3)C2)c1Cl ZINC000351687699 219174364 /nfs/dbraw/zinc/17/43/64/219174364.db2.gz YUIQVUUXNAHQJN-NSHDSACASA-N -1 3 251.757 3.278 20 0 CGADHM CC(C)[C@@]1(C(=O)[O-])CCN(Cc2ccc(Cl)cc2F)C1 ZINC000232783194 346328264 /nfs/dbraw/zinc/32/82/64/346328264.db2.gz WLLYAIJAXYNZFQ-OAHLLOKOSA-N -1 3 299.773 3.412 20 0 CGADHM CCCc1nc(CN2CC[C@@](C(=O)[O-])(C(C)C)C2)cs1 ZINC000233376583 346328708 /nfs/dbraw/zinc/32/87/08/346328708.db2.gz KNRCQBGBQCSHFB-HNNXBMFYSA-N -1 3 296.436 3.028 20 0 CGADHM CC[C@H]1CCCCN1Cc1ccc(C(=O)[O-])c(F)c1 ZINC000234074966 346330619 /nfs/dbraw/zinc/33/06/19/346330619.db2.gz WKUPPUAQLIAQTR-LBPRGKRZSA-N -1 3 265.328 3.288 20 0 CGADHM Cc1cc(C(=O)N[C@@H](C)Cc2ccsc2)ccc1[O-] ZINC000227020867 346308182 /nfs/dbraw/zinc/30/81/82/346308182.db2.gz HQCWGDVUXXSFAT-NSHDSACASA-N -1 3 275.373 3.123 20 0 CGADHM C[C@H]1CN(Cc2ccc(C(=O)[O-])c(F)c2)CC[C@@H]1C ZINC000235662547 346336857 /nfs/dbraw/zinc/33/68/57/346336857.db2.gz FIMPPGOQKGMWDV-QWRGUYRKSA-N -1 3 265.328 3.002 20 0 CGADHM COc1ccc([O-])c(-c2nc(C3CCSCC3)no2)c1 ZINC000350896564 346525827 /nfs/dbraw/zinc/52/58/27/346525827.db2.gz UIZRGZWLZKTYSW-UHFFFAOYSA-N -1 3 292.360 3.061 20 0 CGADHM C[C@@H](c1cccc(F)c1)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000405291041 346603364 /nfs/dbraw/zinc/60/33/64/346603364.db2.gz JQDUJSXHLQNWDC-FZMZJTMJSA-N -1 3 277.339 3.073 20 0 CGADHM C[C@H](c1cccc(F)c1)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000405291040 346603732 /nfs/dbraw/zinc/60/37/32/346603732.db2.gz JQDUJSXHLQNWDC-BXUZGUMPSA-N -1 3 277.339 3.073 20 0 CGADHM CCN(Cc1ccc(C(=O)[O-])o1)Cc1ccc(OC)cc1 ZINC000584785698 346714302 /nfs/dbraw/zinc/71/43/02/346714302.db2.gz OGJFYFZKKWBGRX-UHFFFAOYSA-N -1 3 289.331 3.009 20 0 CGADHM Cc1c(NCc2nc(C)ccc2[O-])cnn1C1CCCC1 ZINC000584878050 346720015 /nfs/dbraw/zinc/72/00/15/346720015.db2.gz ARVBJMLOQSWHOZ-UHFFFAOYSA-N -1 3 286.379 3.328 20 0 CGADHM CC[C@@H](NC(=O)c1ccc2n[n-]nc2c1)C1CCCCC1 ZINC000585711907 346727271 /nfs/dbraw/zinc/72/72/71/346727271.db2.gz SQHCZCHCZKYWDB-CYBMUJFWSA-N -1 3 286.379 3.047 20 0 CGADHM Cc1ccc([O-])c(C(=O)NCC2(c3ccccc3C)CC2)c1 ZINC000588070308 346748067 /nfs/dbraw/zinc/74/80/67/346748067.db2.gz GXLWCSNCPHUANA-UHFFFAOYSA-N -1 3 295.382 3.471 20 0 CGADHM CSCC1(Cc2noc(-c3ccc(C)cc3[O-])n2)CC1 ZINC000596608257 347488002 /nfs/dbraw/zinc/48/80/02/347488002.db2.gz FQDFPQVCXDWDGG-UHFFFAOYSA-N -1 3 290.388 3.436 20 0 CGADHM COC(=O)c1cc([O-])cc(-c2cccnc2OCC2CC2)c1 ZINC000596637665 347495229 /nfs/dbraw/zinc/49/52/29/347495229.db2.gz ABMGIYVNKGIBPT-UHFFFAOYSA-N -1 3 299.326 3.030 20 0 CGADHM CC(C)(C)OC(=O)CCC(=O)Nc1ccc([O-])cc1Cl ZINC000597857548 347595917 /nfs/dbraw/zinc/59/59/17/347595917.db2.gz NAKGBMJUPXTEMR-UHFFFAOYSA-N -1 3 299.754 3.106 20 0 CGADHM C[C@H]1CN(C)c2ccccc2N(C(=O)c2cccc([O-])c2)C1 ZINC000182508406 290818611 /nfs/dbraw/zinc/81/86/11/290818611.db2.gz PXIIWROORNNPMV-ZDUSSCGKSA-N -1 3 296.370 3.125 20 0 CGADHM CCc1ccc([O-])c(C(=O)N[C@@H]2CCc3c2cccc3O)c1 ZINC000600993328 347851414 /nfs/dbraw/zinc/85/14/14/347851414.db2.gz OYWNLISPRHGGLO-OAHLLOKOSA-N -1 3 297.354 3.078 20 0 CGADHM COC(=O)c1cc([O-])cc(-c2nc(C3CC3)cs2)c1 ZINC000600788094 347835738 /nfs/dbraw/zinc/83/57/38/347835738.db2.gz BBORFJLKANOBQQ-UHFFFAOYSA-N -1 3 275.329 3.180 20 0 CGADHM O=C(CCC1CC1)N=c1cc(-c2cccc(Cl)c2)[n-][nH]1 ZINC000604601343 348125978 /nfs/dbraw/zinc/12/59/78/348125978.db2.gz CWJJJOKTMZATQO-UHFFFAOYSA-N -1 3 289.766 3.281 20 0 CGADHM COc1cc([C@H](C)NCc2cccc([O-])c2Cl)ccn1 ZINC000339405712 215150645 /nfs/dbraw/zinc/15/06/45/215150645.db2.gz YUORKUXNTSRHOA-JTQLQIEISA-N -1 3 292.766 3.300 20 0 CGADHM CC[C@H]1CN(C(=O)c2cc(SC)ccc2[O-])CCS1 ZINC000611632024 348464573 /nfs/dbraw/zinc/46/45/73/348464573.db2.gz HJTZVNGCAHSEMS-JTQLQIEISA-N -1 3 297.445 3.082 20 0 CGADHM Cc1nnc(C(=O)Nc2cc(C(C)(C)C)ccc2[O-])s1 ZINC000612755325 348544162 /nfs/dbraw/zinc/54/41/62/348544162.db2.gz CERSOTFUJMAXEH-UHFFFAOYSA-N -1 3 291.376 3.102 20 0 CGADHM CC(=O)CCCC(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000351982452 219274695 /nfs/dbraw/zinc/27/46/95/219274695.db2.gz OPGWYENBBBBQNP-UHFFFAOYSA-N -1 3 289.253 3.109 20 0 CGADHM O=C(Nc1ncccc1[O-])C1(C(F)(F)F)CCCCC1 ZINC000613427976 348602169 /nfs/dbraw/zinc/60/21/69/348602169.db2.gz XBCDZGKVILMVOO-UHFFFAOYSA-N -1 3 288.269 3.239 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)C[C@@H](C)[C@H]2CCCO2)c1[O-] ZINC000613035673 348561446 /nfs/dbraw/zinc/56/14/46/348561446.db2.gz PACAHKWXRZUHDX-NOZJJQNGSA-N -1 3 297.782 3.498 20 0 CGADHM CO[C@@H](C(=O)Nc1cccc([O-])c1F)C1CCCCC1 ZINC000613110553 348565014 /nfs/dbraw/zinc/56/50/14/348565014.db2.gz PTAFFUAYRGEAJE-CQSZACIVSA-N -1 3 281.327 3.065 20 0 CGADHM Cc1ccc(Cl)c(OCC(=O)Nc2ccccc2[O-])c1 ZINC000614212296 348658637 /nfs/dbraw/zinc/65/86/37/348658637.db2.gz SHMQZEJUKOTFDZ-UHFFFAOYSA-N -1 3 291.734 3.372 20 0 CGADHM CCCn1nccc1C(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000613575801 348620253 /nfs/dbraw/zinc/62/02/53/348620253.db2.gz DNAAFJGPKDSVLT-GFCCVEGCSA-N -1 3 299.374 3.153 20 0 CGADHM C[C@@H]1CCN(C(=O)C2CC3(CC3)C2)c2c([O-])cccc21 ZINC000613575886 348620283 /nfs/dbraw/zinc/62/02/83/348620283.db2.gz FVGUWGNZRSCRMR-LLVKDONJSA-N -1 3 271.360 3.423 20 0 CGADHM CSc1ccc([O-])c(C(=O)N2CC(C)(C)[C@H]2C2CC2)c1 ZINC000615036817 348710494 /nfs/dbraw/zinc/71/04/94/348710494.db2.gz BUTYGNJCDSCRLJ-CQSZACIVSA-N -1 3 291.416 3.375 20 0 CGADHM CC[C@H]1CCC[C@H]1C(=O)NCc1ccc([O-])c2ncccc12 ZINC000616022445 348782146 /nfs/dbraw/zinc/78/21/46/348782146.db2.gz GPKLDBJCLXXLHO-SWLSCSKDSA-N -1 3 298.386 3.383 20 0 CGADHM CC[C@H](C)[C@@H](C)C(=O)NCc1ccc([O-])c2ncccc12 ZINC000616022108 348782530 /nfs/dbraw/zinc/78/25/30/348782530.db2.gz CLGNTQKTMTYMFK-NWDGAFQWSA-N -1 3 286.375 3.239 20 0 CGADHM Cc1cc(C(=O)Nc2cc(CCC(C)C)[nH]n2)ccc1[O-] ZINC000616820343 348879813 /nfs/dbraw/zinc/87/98/13/348879813.db2.gz FAFQOSWABQYGNQ-UHFFFAOYSA-N -1 3 287.363 3.265 20 0 CGADHM CC[C@H](C)N(CC)C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000616979892 348890378 /nfs/dbraw/zinc/89/03/78/348890378.db2.gz ZXVOOWMWQRCUIU-NSHDSACASA-N -1 3 291.391 3.366 20 0 CGADHM Cc1ccc2c(c1)CN(C(=O)c1cccc(C)c1[O-])CC2 ZINC000617602548 348980794 /nfs/dbraw/zinc/98/07/94/348980794.db2.gz YVDMPHZJHSYFNU-UHFFFAOYSA-N -1 3 281.355 3.208 20 0 CGADHM COc1ccc(C=Cc2cc(=O)[n-]c(C3CC3)n2)cc1OC ZINC000352008221 219286756 /nfs/dbraw/zinc/28/67/56/219286756.db2.gz NWPQOIGSALKOBM-CLTKARDFSA-N -1 3 298.342 3.247 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-]CC2(CC(C)C)CCC2)o1 ZINC000358593419 233162322 /nfs/dbraw/zinc/16/23/22/233162322.db2.gz CLAOLAPCPHRZEO-UHFFFAOYSA-N -1 3 285.409 3.083 20 0 CGADHM CCn1ncc(C)c1NC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000618440388 349084664 /nfs/dbraw/zinc/08/46/64/349084664.db2.gz YTQDVPIHZQKCMV-UHFFFAOYSA-N -1 3 299.374 3.048 20 0 CGADHM CCn1cc(/C=C/c2ccc3c(OC)ccc([O-])c3n2)cn1 ZINC000358663841 233174621 /nfs/dbraw/zinc/17/46/21/233174621.db2.gz RVXRKHHPXOUZDO-SNAWJCMRSA-N -1 3 295.342 3.336 20 0 CGADHM O=c1cc(C=Cc2ccccc2F)nc(-c2ccncc2)[n-]1 ZINC000352021299 219292698 /nfs/dbraw/zinc/29/26/98/219292698.db2.gz OOLFPSADPKTPOY-AATRIKPKSA-N -1 3 293.301 3.141 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CCC[C@H](CCF)C2)c1 ZINC000618695744 349146260 /nfs/dbraw/zinc/14/62/60/349146260.db2.gz GJWSVUGBBUMAMX-CYBMUJFWSA-N -1 3 279.355 3.166 20 0 CGADHM CC[C@@H]1CC[C@@H](C)N(C(=O)c2ccc([O-])c(OC)c2)C1 ZINC000619133798 349211401 /nfs/dbraw/zinc/21/14/01/349211401.db2.gz POQVNXXRKWFMEC-VXGBXAGGSA-N -1 3 277.364 3.052 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2cn(C)nc2-c2cccs2)n1 ZINC000352039288 219298926 /nfs/dbraw/zinc/29/89/26/219298926.db2.gz FPXBZOXTPOBPKY-WAYWQWQTSA-N -1 3 298.371 3.123 20 0 CGADHM CCC(CC)CCCN(C)C(=O)Cc1cncc([O-])c1 ZINC000620197287 349334097 /nfs/dbraw/zinc/33/40/97/349334097.db2.gz IDWQJDAFFNXTMF-UHFFFAOYSA-N -1 3 278.396 3.005 20 0 CGADHM O=C(c1cccc([O-])c1)N(CCC1CC1)CC1CC1 ZINC000620625819 349398470 /nfs/dbraw/zinc/39/84/70/349398470.db2.gz JIHZXMQWCYHDRK-UHFFFAOYSA-N -1 3 259.349 3.045 20 0 CGADHM CC(C)c1nnc([N-]C(=O)c2coc(C(F)F)c2)s1 ZINC000624516314 350056444 /nfs/dbraw/zinc/05/64/44/350056444.db2.gz MOYGEYDIAVVPNP-UHFFFAOYSA-N -1 3 287.291 3.444 20 0 CGADHM CO[C@@]1(C)CCCN(Cc2cc([O-])ccc2Cl)C1 ZINC000625380354 350165817 /nfs/dbraw/zinc/16/58/17/350165817.db2.gz HRKWBSHGRDKTNJ-AWEZNQCLSA-N -1 3 269.772 3.047 20 0 CGADHM CC(C)N(Cc1cc([O-])ccc1Cl)[C@H]1CCOC1 ZINC000625444410 350171631 /nfs/dbraw/zinc/17/16/31/350171631.db2.gz IHSADCYZMXUHLL-LBPRGKRZSA-N -1 3 269.772 3.045 20 0 CGADHM CCO[C@@H]1CCN(Cc2cc([O-])ccc2Cl)C[C@H]1C ZINC000625459583 350175509 /nfs/dbraw/zinc/17/55/09/350175509.db2.gz YKPHCMDFRXKLSY-IAQYHMDHSA-N -1 3 283.799 3.293 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CCC[C@H]2CCC[C@H]21 ZINC000625840563 350218734 /nfs/dbraw/zinc/21/87/34/350218734.db2.gz QLZZTOQHELULSQ-CHWSQXEVSA-N -1 3 259.349 3.105 20 0 CGADHM CSCC[C@H](C)N(C)C(=O)c1ccc(C)c(C)c1[O-] ZINC000271337986 191082456 /nfs/dbraw/zinc/08/24/56/191082456.db2.gz FOABQSXEVOZVPZ-NSHDSACASA-N -1 3 281.421 3.223 20 0 CGADHM C/C=C\C[C@H]1CCCN(Cc2cc(C(=O)[O-])co2)C1 ZINC000625971725 350238980 /nfs/dbraw/zinc/23/89/80/350238980.db2.gz WYMWIYCRTXLHLB-DLGQBQFBSA-N -1 3 263.337 3.156 20 0 CGADHM Cc1ccccc1CC1CN(C(=O)c2c(C)cccc2[O-])C1 ZINC000626045945 350252818 /nfs/dbraw/zinc/25/28/18/350252818.db2.gz JDPBWTGEZGZLPY-UHFFFAOYSA-N -1 3 295.382 3.324 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CC2(CCC2)[C@@H]1C1CC1 ZINC000627392122 350358865 /nfs/dbraw/zinc/35/88/65/350358865.db2.gz LSLIMTYFNDGNQG-HNNXBMFYSA-N -1 3 271.360 3.105 20 0 CGADHM CC[C@@H](CNC(=O)c1c(C)cccc1[O-])CC(F)(F)F ZINC000627750322 350379767 /nfs/dbraw/zinc/37/97/67/350379767.db2.gz GRWZVDRGUTVJHN-SNVBAGLBSA-N -1 3 289.297 3.409 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CCC[C@H](C2CCC2)C1 ZINC000628140149 350409204 /nfs/dbraw/zinc/40/92/04/350409204.db2.gz BICHCLQJLPTRNK-AWEZNQCLSA-N -1 3 273.376 3.353 20 0 CGADHM CCC(F)(F)C(C)(C)CNC(=O)c1ccccc1[O-] ZINC000628885683 350618464 /nfs/dbraw/zinc/61/84/64/350618464.db2.gz QLLLQBMJZBUIFS-UHFFFAOYSA-N -1 3 271.307 3.194 20 0 CGADHM CCC(F)(F)CNC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000628841087 350612568 /nfs/dbraw/zinc/61/25/68/350612568.db2.gz ITEBOFNONDNVOH-UHFFFAOYSA-N -1 3 297.223 3.186 20 0 CGADHM CCC(=O)c1ccc([N-]S(=O)(=O)CCC(C)(C)C)cc1 ZINC000629316383 350675371 /nfs/dbraw/zinc/67/53/71/350675371.db2.gz MBKUHQCFCJJCMD-UHFFFAOYSA-N -1 3 297.420 3.457 20 0 CGADHM C[C@H](CN1CC[C@H](C(=O)[O-])[C@H](C)C1)c1cc(F)cc(F)c1 ZINC000629774275 350766760 /nfs/dbraw/zinc/76/67/60/350766760.db2.gz VSHWKXIMNZMOST-HFAKWTLXSA-N -1 3 297.345 3.111 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@H](C)Cc1ccccc1C ZINC000630012104 350796969 /nfs/dbraw/zinc/79/69/69/350796969.db2.gz RYHPJOWLKFJZMD-CYBMUJFWSA-N -1 3 299.418 3.389 20 0 CGADHM CC[C@H](c1ccccc1)S(=O)(=O)c1ncc(C(C)C)[n-]1 ZINC000630433000 350839267 /nfs/dbraw/zinc/83/92/67/350839267.db2.gz ZAWFHHNXSXXGTG-CQSZACIVSA-N -1 3 292.404 3.458 20 0 CGADHM CC[C@H](c1ccccc1)S(=O)(=O)c1nc(C(C)C)c[n-]1 ZINC000630433000 350839268 /nfs/dbraw/zinc/83/92/68/350839268.db2.gz ZAWFHHNXSXXGTG-CQSZACIVSA-N -1 3 292.404 3.458 20 0 CGADHM O=C([O-])[C@H]1CC[C@H](NCc2c(F)cccc2Cl)CC1 ZINC000630477132 350847018 /nfs/dbraw/zinc/84/70/18/350847018.db2.gz FNPGAOHWDOKGIS-MGCOHNPYSA-N -1 3 285.746 3.212 20 0 CGADHM [O-]c1cccnc1CNCc1ccc(CC(F)(F)F)cc1 ZINC000631124175 350962526 /nfs/dbraw/zinc/96/25/26/350962526.db2.gz HMNKQYQOKCGLRR-UHFFFAOYSA-N -1 3 296.292 3.182 20 0 CGADHM CC[C@H](C)Cc1noc(-c2cc(OC)c([O-])c(OC)c2)n1 ZINC000632248830 351185522 /nfs/dbraw/zinc/18/55/22/351185522.db2.gz ZRMHFYGQTMSBGF-VIFPVBQESA-N -1 3 292.335 3.048 20 0 CGADHM Cc1scc(CNC(=O)Cc2ccc([O-])c(F)c2)c1C ZINC000633972023 351412319 /nfs/dbraw/zinc/41/23/19/351412319.db2.gz CHPKYFWZXZMRLZ-UHFFFAOYSA-N -1 3 293.363 3.069 20 0 CGADHM Cc1nc(C)c(COc2ccc3c([O-])coc3c2C)s1 ZINC000634560800 351514043 /nfs/dbraw/zinc/51/40/43/351514043.db2.gz YLPGEQNPUMRFHG-UHFFFAOYSA-N -1 3 289.356 3.222 20 0 CGADHM CCc1[n-]n(Cc2cc(F)ccc2F)c(=O)c1C(C)C ZINC000634596679 351533577 /nfs/dbraw/zinc/53/35/77/351533577.db2.gz NCJKALGGCKTUFH-AWEZNQCLSA-N -1 3 280.318 3.345 20 0 CGADHM CCc1[n-]n(Cc2ccc(F)cc2F)c(=O)c1C(C)C ZINC000634601527 351536398 /nfs/dbraw/zinc/53/63/98/351536398.db2.gz PGAAFJYTOYPPSM-AWEZNQCLSA-N -1 3 280.318 3.345 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)Nc1ccc(C)c(NC(C)=O)c1 ZINC000291673560 198059392 /nfs/dbraw/zinc/05/93/92/198059392.db2.gz BNODYPUFFHRDLR-JTQLQIEISA-N -1 3 293.367 3.053 20 0 CGADHM CCC(CC)c1nnc([N-]C(=O)c2cncc(F)c2)s1 ZINC000123536995 187097363 /nfs/dbraw/zinc/09/73/63/187097363.db2.gz FJARPJHSAVGFOQ-UHFFFAOYSA-N -1 3 294.355 3.228 20 0 CGADHM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)[N-]OC1CCCC1 ZINC000271651698 191260533 /nfs/dbraw/zinc/26/05/33/191260533.db2.gz FIGUHMNMBKLQAL-NEPJUHHUSA-N -1 3 265.378 3.150 20 0 CGADHM Cc1ccsc1[C@H]1C[C@H]1C(=O)[N-]OC1CCCC1 ZINC000271651699 191261377 /nfs/dbraw/zinc/26/13/77/191261377.db2.gz FIGUHMNMBKLQAL-NWDGAFQWSA-N -1 3 265.378 3.150 20 0 CGADHM CN(C(=O)c1ccc(O)cc1[O-])C1CCC(C)(C)CC1 ZINC000152777684 188042870 /nfs/dbraw/zinc/04/28/70/188042870.db2.gz FNBAWWZTYJPQRE-UHFFFAOYSA-N -1 3 277.364 3.139 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)Cc1coc2cc(OC)ccc12 ZINC000292390936 198270305 /nfs/dbraw/zinc/27/03/05/198270305.db2.gz ZUUWCKGDMVJGIQ-NSHDSACASA-N -1 3 291.347 3.078 20 0 CGADHM CC(=O)[C@H](C)CCCCC(=O)[N-]OCc1ccccc1 ZINC000154272267 188132209 /nfs/dbraw/zinc/13/22/09/188132209.db2.gz ISFUWBSESZRUHM-CYBMUJFWSA-N -1 3 277.364 3.020 20 0 CGADHM COc1ccccc1[C@@H](C)[N-]c1nnc(C(F)F)o1 ZINC000292422526 198282631 /nfs/dbraw/zinc/28/26/31/198282631.db2.gz FSUDBXFVOYDRMH-SSDOTTSWSA-N -1 3 269.251 3.189 20 0 CGADHM CC[C@@H](C)Oc1ccc(NC(=O)[N-]OCC2CC2)cc1 ZINC000292582279 198340114 /nfs/dbraw/zinc/34/01/14/198340114.db2.gz JVNFRJAVFLJQLI-LLVKDONJSA-N -1 3 278.352 3.327 20 0 CGADHM [O-]C(=NOC1CCCC1)Nc1cc2c(cc1Cl)OCO2 ZINC000271801385 191335083 /nfs/dbraw/zinc/33/50/83/191335083.db2.gz MIXRKJHEOCMIHK-UHFFFAOYSA-N -1 3 298.726 3.064 20 0 CGADHM O=C([N-]OC1CCCC1)Nc1cc2c(cc1Cl)OCO2 ZINC000271801385 191335085 /nfs/dbraw/zinc/33/50/85/191335085.db2.gz MIXRKJHEOCMIHK-UHFFFAOYSA-N -1 3 298.726 3.064 20 0 CGADHM O=C(CC/C=C/c1ccccc1)[N-]OC1CCCC1 ZINC000271820432 191346935 /nfs/dbraw/zinc/34/69/35/191346935.db2.gz VPKPTJUNNZFTAA-ONNFQVAWSA-N -1 3 259.349 3.470 20 0 CGADHM CCc1cccc2c(CC(=O)[N-]OC3CCCC3)c[nH]c21 ZINC000271844572 191363020 /nfs/dbraw/zinc/36/30/20/191363020.db2.gz YXKGXMHFOZVNRP-UHFFFAOYSA-N -1 3 286.375 3.263 20 0 CGADHM CC[C@H](c1ccncc1)N(C)C(=O)c1ccc([O-])c(C)c1 ZINC000272516290 191764447 /nfs/dbraw/zinc/76/44/47/191764447.db2.gz NCSSTUMQZPVOCY-OAHLLOKOSA-N -1 3 284.359 3.319 20 0 CGADHM Cc1nc(C2CC2)oc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000273695140 192265951 /nfs/dbraw/zinc/26/59/51/192265951.db2.gz LXRHFCGXWGXHLL-UHFFFAOYSA-N -1 3 292.722 3.472 20 0 CGADHM Cc1cc(C)cc([C@H](C)NC(=O)c2ccc3n[n-]nc3c2)c1 ZINC000107270515 138357236 /nfs/dbraw/zinc/35/72/36/138357236.db2.gz SHGLJZIVNWPHSO-LBPRGKRZSA-N -1 3 294.358 3.066 20 0 CGADHM CCCCn1nccc1NC(=O)c1cccc(CC)c1[O-] ZINC000537638272 288541169 /nfs/dbraw/zinc/54/11/69/288541169.db2.gz LQMFDKHIUUUVSU-UHFFFAOYSA-N -1 3 287.363 3.204 20 0 CGADHM C[C@@H]1C[C@H](C)N1C(=O)CCc1ccc2ccccc2c1[O-] ZINC000336263330 213100328 /nfs/dbraw/zinc/10/03/28/213100328.db2.gz DRSSSAYDUZWKCA-BETUJISGSA-N -1 3 283.371 3.487 20 0 CGADHM CC(C)CO[C@@H]1CCN(Cc2cccc([O-])c2Cl)C1 ZINC000294445305 199042812 /nfs/dbraw/zinc/04/28/12/199042812.db2.gz XZHZHYWHLDAPRB-CYBMUJFWSA-N -1 3 283.799 3.293 20 0 CGADHM CC[C@@]1(CO)CCCN(Cc2cccc([O-])c2Cl)C1 ZINC000294489523 199059710 /nfs/dbraw/zinc/05/97/10/199059710.db2.gz AZUMEBWDRUVZDO-OAHLLOKOSA-N -1 3 283.799 3.030 20 0 CGADHM O=C(Cc1ccc([O-])cc1Cl)NC[C@@H]1C[C@H]1C1CCC1 ZINC000424903929 236201818 /nfs/dbraw/zinc/20/18/18/236201818.db2.gz GJEDZFWAUVJLPS-JSGCOSHPSA-N -1 3 293.794 3.141 20 0 CGADHM Cc1ccc([C@H](NCc2ccc(F)c(F)c2)C(=O)[O-])cc1 ZINC000426682657 236306647 /nfs/dbraw/zinc/30/66/47/236306647.db2.gz KLNZHMPKGCWYII-HNNXBMFYSA-N -1 3 291.297 3.189 20 0 CGADHM C[C@@H](C(=O)[O-])[C@H](NCc1ccc(F)cc1)c1ccccc1 ZINC000426741863 236310116 /nfs/dbraw/zinc/31/01/16/236310116.db2.gz HQIQCJPRRIJUOK-WBMJQRKESA-N -1 3 287.334 3.377 20 0 CGADHM C[C@H](C(=O)[O-])[C@H](NCc1cccc(F)c1)c1ccccc1 ZINC000426744539 236310564 /nfs/dbraw/zinc/31/05/64/236310564.db2.gz CZBYUHBKEQUTGF-LRDDRELGSA-N -1 3 287.334 3.377 20 0 CGADHM Cc1ccc(CN(C)Cc2c(F)ccc([O-])c2F)o1 ZINC000294785787 199181513 /nfs/dbraw/zinc/18/15/13/199181513.db2.gz BZKCXVBOHFDNPP-UHFFFAOYSA-N -1 3 267.275 3.204 20 0 CGADHM CCn1cc([C@H](C)NCc2cccc([O-])c2Cl)cn1 ZINC000294860270 199218072 /nfs/dbraw/zinc/21/80/72/199218072.db2.gz OHSIYSIFPHKKBG-JTQLQIEISA-N -1 3 279.771 3.113 20 0 CGADHM O=C([O-])C[C@H](NCc1ccccc1)c1ccsc1 ZINC000352286181 304082330 /nfs/dbraw/zinc/08/23/30/304082330.db2.gz OTOVWLYLGSNTJY-ZDUSSCGKSA-N -1 3 261.346 3.054 20 0 CGADHM CO[C@@](C)(CNC(=O)c1ccc(C(C)C)cc1[O-])C1CC1 ZINC000436639024 237150640 /nfs/dbraw/zinc/15/06/40/237150640.db2.gz BGPXRWQUXUNEJO-KRWDZBQOSA-N -1 3 291.391 3.061 20 0 CGADHM COCc1ccccc1NC(=O)c1ccc(C)c(C)c1[O-] ZINC000436528864 237124308 /nfs/dbraw/zinc/12/43/08/237124308.db2.gz PUKIEMNTHXOTDZ-UHFFFAOYSA-N -1 3 285.343 3.408 20 0 CGADHM Cc1ccc(C(=O)N[C@@H]2CCCO[C@H]2CC(C)C)c([O-])c1 ZINC000436562715 237128449 /nfs/dbraw/zinc/12/84/49/237128449.db2.gz JTJNBOVFDIAIFH-ZBFHGGJFSA-N -1 3 291.391 3.024 20 0 CGADHM Cc1ccc(C(=O)N2CCC[C@@H](C)[C@@H]2C)c([O-])c1C ZINC000436592586 237141113 /nfs/dbraw/zinc/14/11/13/237141113.db2.gz WQUUNERCZSGVPR-YPMHNXCESA-N -1 3 261.365 3.270 20 0 CGADHM Cc1ccc(/C=C/c2nc(-c3ccc([O-])cc3)no2)nc1 ZINC000436823605 237184393 /nfs/dbraw/zinc/18/43/93/237184393.db2.gz BWASSQLLFIZHLK-RMKNXTFCSA-N -1 3 279.299 3.316 20 0 CGADHM Cc1cc(C)cc(C[C@H](C)NC(=O)c2ccc(O)cc2[O-])c1 ZINC000436670956 237158899 /nfs/dbraw/zinc/15/88/99/237158899.db2.gz SPVNHCMQZATIHE-ZDUSSCGKSA-N -1 3 299.370 3.076 20 0 CGADHM Cc1ccc([C@@H](NC(=O)c2ccc(O)cc2[O-])C2CC2)cc1 ZINC000436673961 237159526 /nfs/dbraw/zinc/15/95/26/237159526.db2.gz TVSQIITWZIVCAE-QGZVFWFLSA-N -1 3 297.354 3.287 20 0 CGADHM Cc1ccc(C(=O)N[C@@H](C)c2cncc(F)c2)c([O-])c1C ZINC000436718280 237166804 /nfs/dbraw/zinc/16/68/04/237166804.db2.gz ZGAJFLKZVHEFLY-NSHDSACASA-N -1 3 288.322 3.034 20 0 CGADHM Cc1ccc([O-])c(C(=O)N[C@H](C)Cc2ccccc2C)c1 ZINC000436730047 237170198 /nfs/dbraw/zinc/17/01/98/237170198.db2.gz UXCJQJCOXAHBFY-CQSZACIVSA-N -1 3 283.371 3.370 20 0 CGADHM Cc1ccccc1O[C@@H](C)CNC(=O)c1ccc([O-])c(C)c1 ZINC000436940231 237218580 /nfs/dbraw/zinc/21/85/80/237218580.db2.gz VFGQSSIGZHJSPA-AWEZNQCLSA-N -1 3 299.370 3.206 20 0 CGADHM Cc1ccc(C(=O)NC[C@@H]2CCc3ccccc32)c([O-])c1C ZINC000436866055 237196508 /nfs/dbraw/zinc/19/65/08/237196508.db2.gz WFMFJLDUOCOHCP-HNNXBMFYSA-N -1 3 295.382 3.469 20 0 CGADHM C[C@@H]1CCC[C@H]1Cc1nc(-c2ccc([O-])cc2)no1 ZINC000436868924 237198436 /nfs/dbraw/zinc/19/84/36/237198436.db2.gz JLEQBJFDKULVMR-PWSUYJOCSA-N -1 3 258.321 3.421 20 0 CGADHM Cc1ccc(C(=O)N[C@@H]2CC23CCCC3)c([O-])c1C ZINC000436874307 237200366 /nfs/dbraw/zinc/20/03/66/237200366.db2.gz SQUGCLRNZBCUTC-CYBMUJFWSA-N -1 3 259.349 3.072 20 0 CGADHM Cc1cccc(OC[C@H](C)NC(=O)c2ccc([O-])c(C)c2)c1 ZINC000436929537 237213112 /nfs/dbraw/zinc/21/31/12/237213112.db2.gz UVMGFYMFUJUMKC-AWEZNQCLSA-N -1 3 299.370 3.206 20 0 CGADHM O=[S@@](Cc1cc(-c2ccccc2)no1)c1ccc([O-])cc1 ZINC000341752244 216089662 /nfs/dbraw/zinc/08/96/62/216089662.db2.gz VKDXWAZPAXQLIB-NRFANRHFSA-N -1 3 299.351 3.355 20 0 CGADHM CC(C)(NCc1nc(=O)c2sccc2[n-]1)c1ccccc1 ZINC000298061876 200325468 /nfs/dbraw/zinc/32/54/68/200325468.db2.gz IUOYDLQAELSYJD-UHFFFAOYSA-N -1 3 299.399 3.422 20 0 CGADHM O=C(Nc1ncccc1[O-])c1ccc2sccc2c1 ZINC000341886706 216140310 /nfs/dbraw/zinc/14/03/10/216140310.db2.gz KFHWERAACGERIF-UHFFFAOYSA-N -1 3 270.313 3.254 20 0 CGADHM C[C@@H](CSc1ccccc1)C(=O)Nc1ncccc1[O-] ZINC000341904564 216146733 /nfs/dbraw/zinc/14/67/33/216146733.db2.gz UNQLYWPSVIZSLA-NSHDSACASA-N -1 3 288.372 3.154 20 0 CGADHM O=C(Nc1ncccc1[O-])c1ccc(SC2CC2)cc1 ZINC000341903036 216147034 /nfs/dbraw/zinc/14/70/34/216147034.db2.gz PZAOTFZETQMPRK-UHFFFAOYSA-N -1 3 286.356 3.294 20 0 CGADHM CCC[C@H]1CCCCN1C(=O)c1cc(OC)ccc1[O-] ZINC000179512402 189198906 /nfs/dbraw/zinc/19/89/06/189198906.db2.gz QUSQZGGFJPJZRV-LBPRGKRZSA-N -1 3 277.364 3.196 20 0 CGADHM CCSCc1nc(=O)c2c3c(sc2[n-]1)SCCC3 ZINC000180969175 189284906 /nfs/dbraw/zinc/28/49/06/189284906.db2.gz IFSAKISAUUMIOH-UHFFFAOYSA-N -1 3 298.458 3.276 20 0 CGADHM CCC[C@@H]1C[C@H](C(=O)Nc2c(C)cccc2[O-])CCO1 ZINC000182974842 189341350 /nfs/dbraw/zinc/34/13/50/189341350.db2.gz LRJJFWLLCHXAQD-CHWSQXEVSA-N -1 3 277.364 3.234 20 0 CGADHM CCc1noc(C)c1[N-]C(=O)c1cc(C(C)=O)cs1 ZINC000120949701 370816319 /nfs/dbraw/zinc/81/63/19/370816319.db2.gz XBZZTKRWYLUATF-UHFFFAOYSA-N -1 3 278.333 3.062 20 0 CGADHM C[C@@H](c1noc(/C=C/c2cccc([O-])c2)n1)C1CC1 ZINC000275558093 193075070 /nfs/dbraw/zinc/07/50/70/193075070.db2.gz WDCRBLMSJPWVOU-VHODGJRUSA-N -1 3 256.305 3.459 20 0 CGADHM CC1(C)CCC[C@@H]1CNC(=O)NCc1ccc([O-])c(F)c1 ZINC000455090261 241186915 /nfs/dbraw/zinc/18/69/15/241186915.db2.gz NUMLQSGKWOZKPP-GFCCVEGCSA-N -1 3 294.370 3.157 20 0 CGADHM CC(C)=CCC[C@@H](C)NC(=O)NCc1ccc([O-])c(F)c1 ZINC000455266323 241224157 /nfs/dbraw/zinc/22/41/57/241224157.db2.gz FAAIQQVLMRIMRV-GFCCVEGCSA-N -1 3 294.370 3.465 20 0 CGADHM Cc1ccc(C(=O)N2CC[C@@H](c3cccnc3)C2)c([O-])c1C ZINC000335551685 212255490 /nfs/dbraw/zinc/25/54/90/212255490.db2.gz CGFIRSBYYGFSGG-OAHLLOKOSA-N -1 3 296.370 3.034 20 0 CGADHM Cc1cccc(CN(C)Cc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000459291622 242056143 /nfs/dbraw/zinc/05/61/43/242056143.db2.gz CUEITTJVQRSULS-UHFFFAOYSA-N -1 3 283.375 3.000 20 0 CGADHM CC(=O)c1cccc(NC(=O)C2=C(C)CCC2)c1[O-] ZINC000335542101 212239489 /nfs/dbraw/zinc/23/94/89/212239489.db2.gz JAXREUMATMWWFE-UHFFFAOYSA-N -1 3 259.305 3.034 20 0 CGADHM CCC(CC)(CC)[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000462315564 242336324 /nfs/dbraw/zinc/33/63/24/242336324.db2.gz JLFJUODROFJTON-UHFFFAOYSA-N -1 3 291.363 3.212 20 0 CGADHM CC(C)C[C@H](C)C(=O)Nc1n[n-]c(-c2ccccc2F)n1 ZINC000463114359 242386846 /nfs/dbraw/zinc/38/68/46/242386846.db2.gz RYGZPSKDKAIHFB-JTQLQIEISA-N -1 3 290.342 3.232 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)Sc2ncc(C(C)C)n2C)n1 ZINC000121726593 370890154 /nfs/dbraw/zinc/89/01/54/370890154.db2.gz IIHBIVDORBTXPA-JTQLQIEISA-N -1 3 292.408 3.201 20 0 CGADHM CCc1cc(C(=O)Nc2cccc([O-])c2F)ccc1O ZINC000335529266 212220435 /nfs/dbraw/zinc/22/04/35/212220435.db2.gz KJEUYWUIWLFYTK-UHFFFAOYSA-N -1 3 275.279 3.052 20 0 CGADHM C[C@@H]1C[C@H](C)[C@@H](C)N(C(=O)Cc2ccc([O-])cc2Cl)C1 ZINC000476545118 243017010 /nfs/dbraw/zinc/01/70/10/243017010.db2.gz LQXNHXBMLHOQMS-GRYCIOLGSA-N -1 3 295.810 3.481 20 0 CGADHM C[C@H](NCc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000004269778 368540011 /nfs/dbraw/zinc/54/00/11/368540011.db2.gz HXYOQYAKPCTBNU-LBPRGKRZSA-N -1 3 255.317 3.236 20 0 CGADHM CCC(C)(C)[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000485440031 243335214 /nfs/dbraw/zinc/33/52/14/243335214.db2.gz PNFMWHMNBQTXIH-UHFFFAOYSA-N -1 3 296.219 3.460 20 0 CGADHM Cc1ccc(C(=O)N[C@H](C)CCc2ccccc2)c([O-])c1 ZINC000028198314 368880673 /nfs/dbraw/zinc/88/06/73/368880673.db2.gz HWLJQHTZQZRUJF-CQSZACIVSA-N -1 3 283.371 3.452 20 0 CGADHM Cc1ccc([O-])c(C(=O)NCCCc2ccccc2)c1 ZINC000028644876 368887960 /nfs/dbraw/zinc/88/79/60/368887960.db2.gz OXMNCOKLFWTNHQ-UHFFFAOYSA-N -1 3 269.344 3.063 20 0 CGADHM CCCOc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000029048029 368891898 /nfs/dbraw/zinc/89/18/98/368891898.db2.gz SGDWEJNHBSKRJZ-UHFFFAOYSA-N -1 3 291.372 3.276 20 0 CGADHM [O-]c1ccc(-c2noc(-c3cccc(F)c3)n2)cc1 ZINC000034956082 368981718 /nfs/dbraw/zinc/98/17/18/368981718.db2.gz OPFXCDAHOPQYJX-UHFFFAOYSA-N -1 3 256.236 3.248 20 0 CGADHM Cc1ccccc1Cc1nc(-c2ccc([O-])cc2)no1 ZINC000034956134 368981824 /nfs/dbraw/zinc/98/18/24/368981824.db2.gz GUAXBCRIJLUIKL-UHFFFAOYSA-N -1 3 266.300 3.341 20 0 CGADHM CC(C)CC[C@@H](C)NC(=O)c1c[n-]c2ccccc2c1=O ZINC000032951432 368953835 /nfs/dbraw/zinc/95/38/35/368953835.db2.gz MXTWUNRGJWUYNN-GFCCVEGCSA-N -1 3 286.375 3.083 20 0 CGADHM COc1cc(C(=O)N2C[C@H](C)[C@@H]3CCCC[C@@H]32)ccc1[O-] ZINC000276029805 193193822 /nfs/dbraw/zinc/19/38/22/193193822.db2.gz UHSYRTGUINSMTH-UBHSHLNASA-N -1 3 289.375 3.052 20 0 CGADHM C[C@H](c1ccccc1)N(C)C(=O)c1ccccc1[O-] ZINC000039270580 369149669 /nfs/dbraw/zinc/14/96/69/369149669.db2.gz PRMKMYCKLGZSPA-GFCCVEGCSA-N -1 3 255.317 3.225 20 0 CGADHM O=C(/C=C/c1ccc(C2CC2)cc1)[N-]OC1CCC1 ZINC000492960807 244060762 /nfs/dbraw/zinc/06/07/62/244060762.db2.gz OXGSPLUQGVJFJT-IZZDOVSWSA-N -1 3 257.333 3.178 20 0 CGADHM CCCC[C@@H](CC)C[N-]S(=O)(=O)c1ccccc1F ZINC000040422691 369154536 /nfs/dbraw/zinc/15/45/36/369154536.db2.gz MWTZLQZAHAOGLP-GFCCVEGCSA-N -1 3 287.400 3.320 20 0 CGADHM C[C@H](C1CCCCC1)N(C)C(=O)/C=C/c1cncc([O-])c1 ZINC000492854688 244038757 /nfs/dbraw/zinc/03/87/57/244038757.db2.gz FESFTOJHMCHZGW-MMQHEFTJSA-N -1 3 288.391 3.228 20 0 CGADHM Cc1ccc([C@H](C)[C@@H](O)C(=O)Nc2ccc(C)cc2[O-])cc1 ZINC000492886866 244043915 /nfs/dbraw/zinc/04/39/15/244043915.db2.gz MVJYUQXERWCGQW-SUMWQHHRSA-N -1 3 299.370 3.112 20 0 CGADHM CC(C)N(C(=O)/C=C/c1cncc([O-])c1)C1CC(C)(C)C1 ZINC000493066445 244090016 /nfs/dbraw/zinc/09/00/16/244090016.db2.gz SSPBKHSZHIUWNH-AATRIKPKSA-N -1 3 288.391 3.226 20 0 CGADHM Cc1ccc([C@@H](C)N(C)C(=O)/C=C\c2cncc([O-])c2)cc1 ZINC000493261846 244129197 /nfs/dbraw/zinc/12/91/97/244129197.db2.gz DAYBEEURZIWDNN-DEBLGDTFSA-N -1 3 296.370 3.328 20 0 CGADHM Cc1ccc(NC(=O)/C=C/C2(C)CCOCC2)c([O-])c1 ZINC000493362412 244148110 /nfs/dbraw/zinc/14/81/10/244148110.db2.gz XVZHEVUSBQBNJS-AATRIKPKSA-N -1 3 275.348 3.012 20 0 CGADHM O=C(/C=C/c1cc2ccccc2o1)[N-]OC/C=C\Cl ZINC000493847100 244243637 /nfs/dbraw/zinc/24/36/37/244243637.db2.gz CKIGCHHAMJYBMC-SENFBNHQSA-N -1 3 277.707 3.246 20 0 CGADHM CCc1cc(=O)[n-]c(CN(C)C/C(C)=C\c2ccccc2)n1 ZINC000494292665 244279469 /nfs/dbraw/zinc/27/94/69/244279469.db2.gz IFZQBDYGROWJFW-UVTDQMKNSA-N -1 3 297.402 3.280 20 0 CGADHM Cc1ccc([C@H](C)N(C)C(=O)c2ccc3n[n-]nc3c2)cc1 ZINC000045247394 369277490 /nfs/dbraw/zinc/27/74/90/369277490.db2.gz BECOWVRFYSEAKI-LBPRGKRZSA-N -1 3 294.358 3.100 20 0 CGADHM O=C(CC1CCCCCC1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000495099468 244356850 /nfs/dbraw/zinc/35/68/50/244356850.db2.gz RBRNDNRNQYSIHD-UHFFFAOYSA-N -1 3 299.378 3.166 20 0 CGADHM O=C(CC1CCCCCC1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000495099468 244356854 /nfs/dbraw/zinc/35/68/54/244356854.db2.gz RBRNDNRNQYSIHD-UHFFFAOYSA-N -1 3 299.378 3.166 20 0 CGADHM O=C(c1cccc([O-])c1)N1CC[C@@H](c2ccccc2)C1 ZINC000050600723 369440883 /nfs/dbraw/zinc/44/08/83/369440883.db2.gz JEAKTXBUDBXEOT-OAHLLOKOSA-N -1 3 267.328 3.022 20 0 CGADHM O=C(N[C@@H]1CCCc2sccc21)c1cccc([O-])c1 ZINC000061367872 369600174 /nfs/dbraw/zinc/60/01/74/369600174.db2.gz MIRIGUCCAXMMEO-CYBMUJFWSA-N -1 3 273.357 3.261 20 0 CGADHM O=C([N-]OC1CCCC1)c1c(F)cccc1Cl ZINC000074581341 369883422 /nfs/dbraw/zinc/88/34/22/369883422.db2.gz NKICSIUQKHIXEJ-UHFFFAOYSA-N -1 3 257.692 3.083 20 0 CGADHM C[C@@H](c1ccc(F)c(Cl)c1)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000086779909 370022187 /nfs/dbraw/zinc/02/21/87/370022187.db2.gz XJKZQBUYCQOGGD-LKFCYVNXSA-N -1 3 285.746 3.337 20 0 CGADHM Cc1ccc(C(=O)N2CCC[C@H]2C2CCC2)c([O-])c1 ZINC000094105853 370166330 /nfs/dbraw/zinc/16/63/30/370166330.db2.gz YJSHCTOVYVGDHF-AWEZNQCLSA-N -1 3 259.349 3.105 20 0 CGADHM Cc1ccc(CN(C)Cc2ccc(C(=O)[O-])s2)cc1 ZINC000103920868 370334008 /nfs/dbraw/zinc/33/40/08/370334008.db2.gz GEDORXJEMIXEAL-UHFFFAOYSA-N -1 3 275.373 3.387 20 0 CGADHM CN(Cc1c(F)ccc([O-])c1F)C[C@@H]1CC=CCC1 ZINC000512395544 245036937 /nfs/dbraw/zinc/03/69/37/245036937.db2.gz XANPGSDYFWGYTB-LLVKDONJSA-N -1 3 267.319 3.459 20 0 CGADHM C[C@@H](CC1CCCC1)C(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000114319847 370497014 /nfs/dbraw/zinc/49/70/14/370497014.db2.gz SXTCGOYNUQKLSD-NSHDSACASA-N -1 3 299.378 3.022 20 0 CGADHM C[C@@H](CC1CCCC1)C(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000114319847 370497017 /nfs/dbraw/zinc/49/70/17/370497017.db2.gz SXTCGOYNUQKLSD-NSHDSACASA-N -1 3 299.378 3.022 20 0 CGADHM C[C@@H](CC1CCCC1)C(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000114319847 370497022 /nfs/dbraw/zinc/49/70/22/370497022.db2.gz SXTCGOYNUQKLSD-NSHDSACASA-N -1 3 299.378 3.022 20 0 CGADHM FC(F)(F)Cn1cc([N-]c2nc3ccccc3o2)cn1 ZINC000118383997 370613278 /nfs/dbraw/zinc/61/32/78/370613278.db2.gz BDANAXIKOJXTMO-UHFFFAOYSA-N -1 3 282.225 3.330 20 0 CGADHM CC(C)C[C@@H](C)CC(=O)NCc1ccc([O-])c(F)c1 ZINC000133112480 371227450 /nfs/dbraw/zinc/22/74/50/371227450.db2.gz FRJPACVYWHVNLN-LLVKDONJSA-N -1 3 267.344 3.220 20 0 CGADHM C[C@H]1CCC[C@@H](CC(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000134080451 371301685 /nfs/dbraw/zinc/30/16/85/371301685.db2.gz CAAVZNFOWAFMCO-NWDGAFQWSA-N -1 3 299.378 3.022 20 0 CGADHM C[C@H]1CCC[C@@H](CC(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000134080451 371301689 /nfs/dbraw/zinc/30/16/89/371301689.db2.gz CAAVZNFOWAFMCO-NWDGAFQWSA-N -1 3 299.378 3.022 20 0 CGADHM CC(C)CO[N-]C(=O)/C=C/c1ccc(Cl)s1 ZINC000135335577 371416563 /nfs/dbraw/zinc/41/65/63/371416563.db2.gz XULMHINCEVOCSM-GQCTYLIASA-N -1 3 259.758 3.119 20 0 CGADHM CC[C@H]1CCCN(C(=O)Cc2ccc([O-])cc2Cl)C1 ZINC000136157299 371462558 /nfs/dbraw/zinc/46/25/58/371462558.db2.gz CFORAIZWRSTLGP-NSHDSACASA-N -1 3 281.783 3.237 20 0 CGADHM CCCCc1nnc([N-]C(=O)c2scnc2CC)s1 ZINC000136568864 371478681 /nfs/dbraw/zinc/47/86/81/371478681.db2.gz VPDJDRWREMPKDR-UHFFFAOYSA-N -1 3 296.421 3.152 20 0 CGADHM C[C@@H]1CC[C@@H](CC(=O)Nc2cc(F)ccc2[O-])C1 ZINC000150993346 371556962 /nfs/dbraw/zinc/55/69/62/371556962.db2.gz HTTZHIWCDYCPJU-NXEZZACHSA-N -1 3 251.301 3.296 20 0 CGADHM O=C(c1cccc([O-])c1)N1CC[C@@H](C2CCCC2)C1 ZINC000421946271 371712285 /nfs/dbraw/zinc/71/22/85/371712285.db2.gz ICSGJACZBPIYCI-CQSZACIVSA-N -1 3 259.349 3.045 20 0 CGADHM CCc1ccc([O-])c(C(=O)N(CC)Cc2ccccn2)c1 ZINC000152676889 371713097 /nfs/dbraw/zinc/71/30/97/371713097.db2.gz JJAQXSYQOYNHFG-UHFFFAOYSA-N -1 3 284.359 3.012 20 0 CGADHM CC1=C[C@@H](C)CN(Cc2c(F)ccc([O-])c2F)C1 ZINC000353330740 220030135 /nfs/dbraw/zinc/03/01/35/220030135.db2.gz OYYLLWXSIGGFNY-SECBINFHSA-N -1 3 253.292 3.068 20 0 CGADHM C[C@@H]1CCC[C@H](CNC(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000157574897 372027592 /nfs/dbraw/zinc/02/75/92/372027592.db2.gz JZTFOHCPEGGVMQ-NEPJUHHUSA-N -1 3 294.370 3.157 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])c1c[nH]c2cccnc12 ZINC000344179976 217087529 /nfs/dbraw/zinc/08/75/29/217087529.db2.gz NTKDXBKLGVSEIX-UHFFFAOYSA-N -1 3 287.706 3.174 20 0 CGADHM CCC1(C)CN(C(=O)c2c[n-]c3c(C)cccc3c2=O)C1 ZINC000291064421 372108105 /nfs/dbraw/zinc/10/81/05/372108105.db2.gz LMTITCFUMZIJGQ-UHFFFAOYSA-N -1 3 284.359 3.121 20 0 CGADHM Cc1cccc(CCCNCc2cccc([O-])c2Cl)n1 ZINC000293163376 372315624 /nfs/dbraw/zinc/31/56/24/372315624.db2.gz FSOGSFFTWXESDL-UHFFFAOYSA-N -1 3 290.794 3.471 20 0 CGADHM CCOC[C@H](NCc1cccc([O-])c1Cl)C(C)C ZINC000293292087 372347082 /nfs/dbraw/zinc/34/70/82/372347082.db2.gz OYBYSSZTVLDVHT-LBPRGKRZSA-N -1 3 271.788 3.196 20 0 CGADHM [O-]c1cccc(CNCC2(C3CC3)CC2)c1Cl ZINC000293382826 372369856 /nfs/dbraw/zinc/36/98/56/372369856.db2.gz WIPKAHSEXLNREH-UHFFFAOYSA-N -1 3 251.757 3.325 20 0 CGADHM CCOc1ccc(CN2CCC(CCC(=O)[O-])CC2)cc1 ZINC000050925986 541875529 /nfs/dbraw/zinc/87/55/29/541875529.db2.gz GUPAVTXJEPXOAF-UHFFFAOYSA-N -1 3 291.391 3.162 20 0 CGADHM CCc1cc(=O)[n-]c(CN(C)C2CCC(C)(C)CC2)n1 ZINC000344341984 217158585 /nfs/dbraw/zinc/15/85/85/217158585.db2.gz AMSDBATTXUJRAO-UHFFFAOYSA-N -1 3 277.412 3.145 20 0 CGADHM CSC(C)(C)CNCc1cccc([O-])c1Cl ZINC000293516163 372400253 /nfs/dbraw/zinc/40/02/53/372400253.db2.gz IJLNHQYZICFZJD-UHFFFAOYSA-N -1 3 259.802 3.277 20 0 CGADHM C[C@@H](c1ccco1)N(C)C(=O)Cc1ccc([O-])cc1Cl ZINC000162702152 372411586 /nfs/dbraw/zinc/41/15/86/372411586.db2.gz OJABZPVTXSRLKY-JTQLQIEISA-N -1 3 293.750 3.401 20 0 CGADHM CCN(CC(C)C)C(=O)c1c[n-]c2c(C)cccc2c1=O ZINC000162033990 372367451 /nfs/dbraw/zinc/36/74/51/372367451.db2.gz DNADZEBXOXOIMT-UHFFFAOYSA-N -1 3 286.375 3.367 20 0 CGADHM C[C@H](O)c1ccc(CNCc2c(F)ccc([O-])c2F)cc1 ZINC000293781165 372479573 /nfs/dbraw/zinc/47/95/73/372479573.db2.gz BAVXYIAAALHWPH-JTQLQIEISA-N -1 3 293.313 3.014 20 0 CGADHM CCC[C@@H]1[C@@H](C)CCCN1Cc1nc(CC)cc(=O)[n-]1 ZINC000344385260 217175379 /nfs/dbraw/zinc/17/53/79/217175379.db2.gz XSFARWVFUULOQX-GXTWGEPZSA-N -1 3 277.412 3.145 20 0 CGADHM O=C(NCc1ccc([O-])c(F)c1)N1CCCCCCC1 ZINC000163655892 372486943 /nfs/dbraw/zinc/48/69/43/372486943.db2.gz CZBRJPCQXLOLKO-UHFFFAOYSA-N -1 3 280.343 3.007 20 0 CGADHM CC[C@@H]1CCCN(C(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC000163726777 372489813 /nfs/dbraw/zinc/48/98/13/372489813.db2.gz MLPRUBLIPCQQFZ-GFCCVEGCSA-N -1 3 294.370 3.253 20 0 CGADHM COC(=O)c1ccc(C(=O)Nc2cccc3ccccc32)[n-]1 ZINC000431661491 372494274 /nfs/dbraw/zinc/49/42/74/372494274.db2.gz ADBPNTWMONMRRS-UHFFFAOYSA-N -1 3 294.310 3.207 20 0 CGADHM CC(C)ON=C([O-])Nc1ccccc1C(F)(F)F ZINC000294083699 372575702 /nfs/dbraw/zinc/57/57/02/372575702.db2.gz LPFNAVIWHBPNJK-UHFFFAOYSA-N -1 3 262.231 3.167 20 0 CGADHM CC(C)O[N-]C(=O)Nc1ccccc1C(F)(F)F ZINC000294083699 372575706 /nfs/dbraw/zinc/57/57/06/372575706.db2.gz LPFNAVIWHBPNJK-UHFFFAOYSA-N -1 3 262.231 3.167 20 0 CGADHM C/C(=C\C(=O)[N-]OC(C)C)c1ccccc1OC(F)F ZINC000295490530 372802236 /nfs/dbraw/zinc/80/22/36/372802236.db2.gz FOPUXRCWFBXKFH-CSKARUKUSA-N -1 3 285.290 3.148 20 0 CGADHM CCc1occc1C(=O)N=c1cc(-c2ccccc2C)[n-][nH]1 ZINC000435796059 372811394 /nfs/dbraw/zinc/81/13/94/372811394.db2.gz GUEDRIZSZFLPOO-UHFFFAOYSA-N -1 3 295.342 3.215 20 0 CGADHM CCO[N-]C(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000171710549 372813512 /nfs/dbraw/zinc/81/35/12/372813512.db2.gz XMASWTAAWZSKOC-HUUCEWRRSA-N -1 3 255.317 3.011 20 0 CGADHM O=C(Nc1ccccc1[O-])c1cc2ccccc2o1 ZINC000000168851 284372282 /nfs/dbraw/zinc/37/22/82/284372282.db2.gz HRWOPJLHROFHKD-UHFFFAOYSA-N -1 3 253.257 3.391 20 0 CGADHM Cc1coc2ccc(NC(=O)[N-]OCC3CC3)cc12 ZINC000296573161 373181707 /nfs/dbraw/zinc/18/17/07/373181707.db2.gz DUWDOCBSRSIQPF-UHFFFAOYSA-N -1 3 260.293 3.204 20 0 CGADHM Cc1csc(CCC(=O)Nc2c(C)cccc2[O-])n1 ZINC000444346419 373183887 /nfs/dbraw/zinc/18/38/87/373183887.db2.gz VLLGNPQPBMEJFX-UHFFFAOYSA-N -1 3 276.361 3.037 20 0 CGADHM Cc1ccc(-c2nc(C3CC(F)(F)C3)no2)c([O-])c1 ZINC000296597904 373188405 /nfs/dbraw/zinc/18/84/05/373188405.db2.gz XJRVQHQPEWWVPA-UHFFFAOYSA-N -1 3 266.247 3.263 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CCC[C@H](C(C)C)C2)c1 ZINC000444524124 373197132 /nfs/dbraw/zinc/19/71/32/373197132.db2.gz FJRBJRVURMHBFQ-ZDUSSCGKSA-N -1 3 261.365 3.209 20 0 CGADHM COc1ccc([O-])c(C(=O)N2CCC3(C2)CCCCC3)c1 ZINC000174000805 373230135 /nfs/dbraw/zinc/23/01/35/373230135.db2.gz VZSTXDSSKIAPRJ-UHFFFAOYSA-N -1 3 289.375 3.197 20 0 CGADHM Cc1cc(C(=O)N=c2cc(-c3cc(C)cc(C)c3)[n-][nH]2)co1 ZINC000444712234 373247976 /nfs/dbraw/zinc/24/79/76/373247976.db2.gz YNNBMKDNXQHVBH-UHFFFAOYSA-N -1 3 295.342 3.269 20 0 CGADHM CC1(C)CN(C(=O)c2cccc([O-])c2)CC(C)(C)C1 ZINC000344937597 217362696 /nfs/dbraw/zinc/36/26/96/217362696.db2.gz DHIOIPYIHDYREO-UHFFFAOYSA-N -1 3 261.365 3.291 20 0 CGADHM CC(C)c1cc(C(=O)Nc2cc(Cl)ccc2[O-])nn1C ZINC000175320855 373449906 /nfs/dbraw/zinc/44/99/06/373449906.db2.gz RGYPDWOHHCAYLR-UHFFFAOYSA-N -1 3 293.754 3.155 20 0 CGADHM C[C@@H]1CC[C@H](CCC(=O)Nc2cc(Cl)ccc2[O-])O1 ZINC000175613486 373492183 /nfs/dbraw/zinc/49/21/83/373492183.db2.gz ZSUKJXATQKPVFS-MWLCHTKSSA-N -1 3 283.755 3.332 20 0 CGADHM C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)c1ccccc1[O-] ZINC000175763975 373516415 /nfs/dbraw/zinc/51/64/15/373516415.db2.gz FPKRXXFUKPXOEY-UKRRQHHQSA-N -1 3 281.355 3.410 20 0 CGADHM C[C@H]1CCCN(Cc2cc(Cl)ccc2F)[C@H]1C(=O)[O-] ZINC000300274416 373624280 /nfs/dbraw/zinc/62/42/80/373624280.db2.gz SNPBVDUHMGSCCH-TVQRCGJNSA-N -1 3 285.746 3.164 20 0 CGADHM CC1(C)CCC[C@H](C(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000179063706 373833396 /nfs/dbraw/zinc/83/33/96/373833396.db2.gz GQGGBTZSSRYRHT-LBPRGKRZSA-N -1 3 279.355 3.364 20 0 CGADHM Cc1cccc([O-])c1NC(=O)c1cc2ccccc2[nH]1 ZINC000179550786 373885982 /nfs/dbraw/zinc/88/59/82/373885982.db2.gz PFFQFGYAPHWVTJ-UHFFFAOYSA-N -1 3 266.300 3.434 20 0 CGADHM COCc1cccc(C(=O)Nc2c(C)cccc2[O-])c1 ZINC000179563966 373888353 /nfs/dbraw/zinc/88/83/53/373888353.db2.gz NNWIYSHPWUDJQG-UHFFFAOYSA-N -1 3 271.316 3.099 20 0 CGADHM Cc1cnc(CCCC(=O)Nc2cc(Cl)ccc2[O-])o1 ZINC000449823079 373936569 /nfs/dbraw/zinc/93/65/69/373936569.db2.gz YWGZSBTXVPZXGY-UHFFFAOYSA-N -1 3 294.738 3.303 20 0 CGADHM O=C([N-]c1c(F)cc(Cl)cc1F)c1cncc(F)c1 ZINC000180369733 373994222 /nfs/dbraw/zinc/99/42/22/373994222.db2.gz HOWGSRIBOTUBLT-UHFFFAOYSA-N -1 3 286.640 3.405 20 0 CGADHM COc1ccc(C(=O)NCCCCC(C)(C)C)c([O-])c1 ZINC000303194636 374011540 /nfs/dbraw/zinc/01/15/40/374011540.db2.gz GDIHIMNIXIOIAK-UHFFFAOYSA-N -1 3 279.380 3.347 20 0 CGADHM C[C@]1(c2ccccc2)C[C@@H]1C(=O)NCc1ccc([O-])c(F)c1 ZINC000449916193 373969907 /nfs/dbraw/zinc/96/99/07/373969907.db2.gz WCFFNDTVQJCSAT-RDTXWAMCSA-N -1 3 299.345 3.125 20 0 CGADHM CCC[C@@H]1CCC[C@@H]1C(=O)NCc1ccc([O-])c(F)c1 ZINC000449915194 373969976 /nfs/dbraw/zinc/96/99/76/373969976.db2.gz SRAGDDTWZBRDBV-OLZOCXBDSA-N -1 3 279.355 3.364 20 0 CGADHM CC[C@H]1CCC[C@@H](NC(=O)Cc2ccc([O-])c(F)c2)C1 ZINC000449924793 373975106 /nfs/dbraw/zinc/97/51/06/373975106.db2.gz RBUSBWWKSAKAIH-WCQYABFASA-N -1 3 279.355 3.159 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CCC[C@@H]2c2cccn2C)c1 ZINC000180351916 373992299 /nfs/dbraw/zinc/99/22/99/373992299.db2.gz MBDNJZCTQCEPGG-MRXNPFEDSA-N -1 3 298.386 3.270 20 0 CGADHM COc1ccc(C(=O)NC[C@@H](C)c2ccc(C)cc2)c([O-])c1 ZINC000303743776 374027837 /nfs/dbraw/zinc/02/78/37/374027837.db2.gz JGQFXRFKFSUIBS-CYBMUJFWSA-N -1 3 299.370 3.243 20 0 CGADHM Cc1ccc(/C=C/CC(=O)Nc2ncccc2[O-])cc1 ZINC000180996931 374067568 /nfs/dbraw/zinc/06/75/68/374067568.db2.gz QITZAQOQVVBZLG-DUXPYHPUSA-N -1 3 268.316 3.138 20 0 CGADHM Cc1ccc(NC(=O)c2sccc2F)c([O-])c1 ZINC000310473111 374216662 /nfs/dbraw/zinc/21/66/62/374216662.db2.gz BYCWATQVQBCLHK-UHFFFAOYSA-N -1 3 251.282 3.154 20 0 CGADHM O=C([O-])[C@H]1C=C[C@@H](NCc2cccc(Cl)c2Cl)C1 ZINC000310770623 374223969 /nfs/dbraw/zinc/22/39/69/374223969.db2.gz CPUGACXHRZCHPN-WCBMZHEXSA-N -1 3 286.158 3.112 20 0 CGADHM COc1ccc(C(C)(C)CNC(=O)c2cccc([O-])c2)cc1 ZINC000182252376 374246693 /nfs/dbraw/zinc/24/66/93/374246693.db2.gz MEVFQDNGOGXGIW-UHFFFAOYSA-N -1 3 299.370 3.108 20 0 CGADHM CN(Cc1cc2ccccc2o1)C(=O)c1cccc([O-])c1 ZINC000182546398 374287942 /nfs/dbraw/zinc/28/79/42/374287942.db2.gz FMWJTDVABRLJLG-UHFFFAOYSA-N -1 3 281.311 3.411 20 0 CGADHM COc1cccc(C(=O)Nc2cccc(C)c2F)c1[O-] ZINC000182558594 374289063 /nfs/dbraw/zinc/28/90/63/374289063.db2.gz FHKTZCARNQKYSQ-UHFFFAOYSA-N -1 3 275.279 3.101 20 0 CGADHM COc1ccc([O-])c(-c2nc([C@H]3Cc4ccccc43)no2)c1 ZINC000315805098 374332559 /nfs/dbraw/zinc/33/25/59/374332559.db2.gz BKUVJUQLTXIBPR-ZDUSSCGKSA-N -1 3 294.310 3.139 20 0 CGADHM O=C([O-])c1ccc(CNCc2cccc3cccnc32)cc1 ZINC000317625259 374340488 /nfs/dbraw/zinc/34/04/88/374340488.db2.gz VAPWSPFUPDNMJW-UHFFFAOYSA-N -1 3 292.338 3.223 20 0 CGADHM CCc1cccc(C(=O)N[C@@H](C)c2c(C)noc2C)c1[O-] ZINC000081781341 541927766 /nfs/dbraw/zinc/92/77/66/541927766.db2.gz VUKGIVFQVSLAOT-VIFPVBQESA-N -1 3 288.347 3.050 20 0 CGADHM CCO[N-]C(=O)Nc1ccc(N2CCCCC2)c(Cl)c1 ZINC000182958547 374349831 /nfs/dbraw/zinc/34/98/31/374349831.db2.gz QORADWLHMVABPF-UHFFFAOYSA-N -1 3 297.786 3.403 20 0 CGADHM O=C(CCC1CCOCC1)Nc1ccc(Cl)cc1[O-] ZINC000330450681 374466092 /nfs/dbraw/zinc/46/60/92/374466092.db2.gz JHSFRRJTJGCMLN-UHFFFAOYSA-N -1 3 283.755 3.191 20 0 CGADHM O=[S@@](Cc1ccc(F)cc1Cl)c1cccc([O-])c1 ZINC000184044203 374485756 /nfs/dbraw/zinc/48/57/56/374485756.db2.gz VAEKICWRDMJAPI-SFHVURJKSA-N -1 3 284.739 3.493 20 0 CGADHM O=[S@](Cc1ncc(-c2ccccc2)o1)c1cccc([O-])c1 ZINC000184044513 374486002 /nfs/dbraw/zinc/48/60/02/374486002.db2.gz XRPWQHXQWVDITL-OAQYLSRUSA-N -1 3 299.351 3.355 20 0 CGADHM O=[S@@](CCCOc1ccc(F)cc1)c1cccc([O-])c1 ZINC000184057505 374488338 /nfs/dbraw/zinc/48/83/38/374488338.db2.gz BXGQPLMSMPESLH-FQEVSTJZSA-N -1 3 294.347 3.108 20 0 CGADHM CC[C@@H](c1ccc(F)cc1)S(=O)(=O)c1cccc([O-])c1 ZINC000183975288 374477531 /nfs/dbraw/zinc/47/75/31/374477531.db2.gz NBOGOFONAHJESY-HNNXBMFYSA-N -1 3 294.347 3.456 20 0 CGADHM CC(=O)c1ccc(C(=O)N2CCC(C(C)C)CC2)cc1[O-] ZINC000331251101 374519183 /nfs/dbraw/zinc/51/91/83/374519183.db2.gz ZLBRAATZZDSNKC-UHFFFAOYSA-N -1 3 289.375 3.103 20 0 CGADHM [O-]c1cc(F)cc(CNc2cccc(-c3nnco3)c2)c1 ZINC000184134909 374496904 /nfs/dbraw/zinc/49/69/04/374496904.db2.gz ZRBIZIWKHFAWNQ-UHFFFAOYSA-N -1 3 285.278 3.193 20 0 CGADHM CC(=O)c1cccc(NC(=O)c2c(C)coc2C)c1[O-] ZINC000334220199 206210814 /nfs/dbraw/zinc/21/08/14/206210814.db2.gz RCJHRRRTLJBMLH-UHFFFAOYSA-N -1 3 273.288 3.057 20 0 CGADHM Cc1ccc(-c2cc(C(=O)Nc3n[nH]cc3C(C)C)n[n-]2)o1 ZINC000456747079 374613385 /nfs/dbraw/zinc/61/33/85/374613385.db2.gz RHSYIXWJRAPANU-UHFFFAOYSA-N -1 3 299.334 3.077 20 0 CGADHM Cc1ccc(-c2cc(C(=O)Nc3n[nH]cc3C(C)C)[n-]n2)o1 ZINC000456747079 374613388 /nfs/dbraw/zinc/61/33/88/374613388.db2.gz RHSYIXWJRAPANU-UHFFFAOYSA-N -1 3 299.334 3.077 20 0 CGADHM Cc1ccc([O-])c(C(=O)NC2CCC(C(F)F)CC2)c1 ZINC000458143738 374703857 /nfs/dbraw/zinc/70/38/57/374703857.db2.gz KXSHSKKOCSENHU-UHFFFAOYSA-N -1 3 283.318 3.254 20 0 CGADHM CC[C@H](C)N(C)C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000185728260 374724838 /nfs/dbraw/zinc/72/48/38/374724838.db2.gz DNRBDBDIJZBUFM-NSHDSACASA-N -1 3 261.365 3.142 20 0 CGADHM O=C([N-]c1cc(F)c(F)cc1F)c1cc(C2CC2)on1 ZINC000334451502 374761934 /nfs/dbraw/zinc/76/19/34/374761934.db2.gz WCIXUVGKFOGBMH-UHFFFAOYSA-N -1 3 282.221 3.222 20 0 CGADHM C[C@@H]1CCN(C(=O)C[C@@H]2CCCCO2)c2c([O-])cccc21 ZINC000186261601 374822212 /nfs/dbraw/zinc/82/22/12/374822212.db2.gz BFZNSZRAPJRHCJ-OLZOCXBDSA-N -1 3 289.375 3.192 20 0 CGADHM CCSCc1cc(C(=O)Nc2cc(F)ccc2[O-])no1 ZINC000186259541 374822575 /nfs/dbraw/zinc/82/25/75/374822575.db2.gz JAAQWJFBZIICHM-UHFFFAOYSA-N -1 3 296.323 3.025 20 0 CGADHM CC(C)[C@@]1(C)C[C@H]1C(=O)Nc1cc(F)ccc1[O-] ZINC000186563549 374876601 /nfs/dbraw/zinc/87/66/01/374876601.db2.gz IIPXBVWRTXMSRF-IINYFYTJSA-N -1 3 251.301 3.152 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])[C@H]1CCc2cccnc21 ZINC000334538481 374835041 /nfs/dbraw/zinc/83/50/41/374835041.db2.gz RKFOLCKXLPRVTH-NSHDSACASA-N -1 3 288.734 3.109 20 0 CGADHM CC[C@@H](C)NC(=O)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000187236913 374990312 /nfs/dbraw/zinc/99/03/12/374990312.db2.gz CFPYDBCHBFFIMB-SSDOTTSWSA-N -1 3 283.784 3.320 20 0 CGADHM C[C@@H](c1cc(F)ccc1F)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000262092973 296225303 /nfs/dbraw/zinc/22/53/03/296225303.db2.gz GPPIQMPCZNYVQY-XMZIXOGTSA-N -1 3 295.329 3.213 20 0 CGADHM C[C@]1(C(=O)Nc2ccc(Cl)cc2[O-])CC1(F)F ZINC000335018979 375073680 /nfs/dbraw/zinc/07/36/80/375073680.db2.gz YNNYUHUAPMMXTP-SNVBAGLBSA-N -1 3 261.655 3.029 20 0 CGADHM Cc1ccc(NC(=O)[C@H]2CCc3cc(C)ccc3O2)c([O-])c1 ZINC000474197124 375088300 /nfs/dbraw/zinc/08/83/00/375088300.db2.gz VCZPXHLMZXOXSV-QGZVFWFLSA-N -1 3 297.354 3.341 20 0 CGADHM CCc1cc(=O)[n-]c(CN(CC(C)C)CC(C)(C)C)n1 ZINC000474222248 375090043 /nfs/dbraw/zinc/09/00/43/375090043.db2.gz BXUQNOPARXMFPV-UHFFFAOYSA-N -1 3 279.428 3.249 20 0 CGADHM CCCC[C@H](CC)CC(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000473848192 375063557 /nfs/dbraw/zinc/06/35/57/375063557.db2.gz PYRHRBLQUKCQNW-JSGCOSHPSA-N -1 3 293.411 3.228 20 0 CGADHM CCc1ccc(C(=O)N2C[C@H]3CCCC[C@@H]3C2)c([O-])c1 ZINC000188265887 375187424 /nfs/dbraw/zinc/18/74/24/375187424.db2.gz OOFPAHGJTBKTPB-ZIAGYGMSSA-N -1 3 273.376 3.217 20 0 CGADHM C[C@@H](CC(F)(F)F)C(=O)N1CCCc2cccc([O-])c21 ZINC000335579282 375331877 /nfs/dbraw/zinc/33/18/77/375331877.db2.gz FBMIFUBXGIQOAD-VIFPVBQESA-N -1 3 287.281 3.260 20 0 CGADHM CC(C)(C)c1ncc(C[N-]c2nnc(C(F)F)o2)s1 ZINC000189275472 375353958 /nfs/dbraw/zinc/35/39/58/375353958.db2.gz YOFXAGGOMSALLJ-UHFFFAOYSA-N -1 3 288.323 3.373 20 0 CGADHM CC(C)(NC(=O)c1csc(=O)[n-]1)c1cccc(Cl)c1 ZINC000335720466 375375372 /nfs/dbraw/zinc/37/53/72/375375372.db2.gz XYDRTVOWDVOCGY-UHFFFAOYSA-N -1 3 296.779 3.167 20 0 CGADHM O=C(/C=C\c1ccc[nH]1)Nc1cc(Cl)ccc1[O-] ZINC000491965487 375381625 /nfs/dbraw/zinc/38/16/25/375381625.db2.gz SDSPVDAEWCTZGK-XQRVVYSFSA-N -1 3 262.696 3.026 20 0 CGADHM O=C(Nc1cccc([O-])c1F)[C@H]1C[C@@]12CCc1ccccc12 ZINC000335773840 375418092 /nfs/dbraw/zinc/41/80/92/375418092.db2.gz DJACVHDBNRVHQU-FZKQIMNGSA-N -1 3 297.329 3.374 20 0 CGADHM O=C([N-]c1ccsc1Cl)c1ncncc1Cl ZINC000335875581 375505589 /nfs/dbraw/zinc/50/55/89/375505589.db2.gz ZTAUKOASHCCJMQ-UHFFFAOYSA-N -1 3 274.132 3.097 20 0 CGADHM O=C(NC1CC(C(F)(F)F)C1)c1cc([O-])ccc1Cl ZINC000335947629 375562115 /nfs/dbraw/zinc/56/21/15/375562115.db2.gz LINXYUQPOSCHSC-UHFFFAOYSA-N -1 3 293.672 3.116 20 0 CGADHM O=C([N-]c1cc(F)cc(F)c1F)c1ocnc1C1CC1 ZINC000335962247 375574465 /nfs/dbraw/zinc/57/44/65/375574465.db2.gz MICFSTCPTUEMTM-UHFFFAOYSA-N -1 3 282.221 3.222 20 0 CGADHM Cc1cccc(Cl)c1NC(=O)NCc1ncccc1[O-] ZINC000336057976 375653533 /nfs/dbraw/zinc/65/35/33/375653533.db2.gz QSAJUNHWTHQLOX-UHFFFAOYSA-N -1 3 291.738 3.071 20 0 CGADHM CCO[N-]C(=O)Nc1cc(C)c(Br)c(C)c1 ZINC000192419866 375747878 /nfs/dbraw/zinc/74/78/78/375747878.db2.gz AIODBXXDKSKBRU-UHFFFAOYSA-N -1 3 287.157 3.139 20 0 CGADHM Cc1cccc(C(=O)N2CCC(c3ccncc3)CC2)c1[O-] ZINC000192294258 375728276 /nfs/dbraw/zinc/72/82/76/375728276.db2.gz QUGDDZLGEWKFJY-UHFFFAOYSA-N -1 3 296.370 3.115 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)N[C@@H](C)c2ccc(F)cc2F)n1 ZINC000192722308 375781662 /nfs/dbraw/zinc/78/16/62/375781662.db2.gz CKRIKBLSRQETAX-VHSXEESVSA-N -1 3 293.317 3.181 20 0 CGADHM Cc1cccc(C(=O)N2CC[C@H](C(F)(F)F)[C@@H]2C)c1[O-] ZINC000336506990 375801730 /nfs/dbraw/zinc/80/17/30/375801730.db2.gz YLHLGTSYXNXVPH-ONGXEEELSA-N -1 3 287.281 3.114 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)N(C)CC2(c3ccccc3)CC2)n1 ZINC000192803309 375790867 /nfs/dbraw/zinc/79/08/67/375790867.db2.gz GGJPRIKRSQSCPM-CQSZACIVSA-N -1 3 297.402 3.215 20 0 CGADHM CCC[C@@](C)(NCc1ccsc1Cl)C(=O)[O-] ZINC000336750030 375928778 /nfs/dbraw/zinc/92/87/78/375928778.db2.gz UNTTYUZRTHGQSY-LLVKDONJSA-N -1 3 261.774 3.135 20 0 CGADHM CC[C@@H](CNCc1ccc(F)cc1Cl)CC(=O)[O-] ZINC000336793020 375941524 /nfs/dbraw/zinc/94/15/24/375941524.db2.gz VDCDCXAURSKDJD-SECBINFHSA-N -1 3 273.735 3.070 20 0 CGADHM CCC(CC)N(C(=O)c1ccc(OC)cc1[O-])C1CC1 ZINC000536686481 376121955 /nfs/dbraw/zinc/12/19/55/376121955.db2.gz OWEYBCCKSHOTOM-UHFFFAOYSA-N -1 3 277.364 3.194 20 0 CGADHM C[C@@H](NCc1cc(Cl)ccc1OC1CCCC1)C(=O)[O-] ZINC000262066071 190048142 /nfs/dbraw/zinc/04/81/42/190048142.db2.gz RQPNLQATLSWDLV-SNVBAGLBSA-N -1 3 297.782 3.224 20 0 CGADHM COc1ccc(/C=C\C(=O)Nc2ccccc2[O-])cc1OC ZINC000216575471 376166633 /nfs/dbraw/zinc/16/66/33/376166633.db2.gz GQYQXBIMYKWESP-NTMALXAHSA-N -1 3 299.326 3.061 20 0 CGADHM [O-]c1cc(F)cc(CNCc2ccc(F)c(F)c2)c1 ZINC000223121584 376245984 /nfs/dbraw/zinc/24/59/84/376245984.db2.gz LFCIKVIGNXDACV-UHFFFAOYSA-N -1 3 267.250 3.099 20 0 CGADHM Cc1ccc(C(=O)N2CCC[C@H]2c2ccccn2)c([O-])c1 ZINC000538743649 376267575 /nfs/dbraw/zinc/26/75/75/376267575.db2.gz YGGRRDDPISCWDO-HNNXBMFYSA-N -1 3 282.343 3.073 20 0 CGADHM CCc1cccc(C(=O)N2C[C@H](C)C[C@H]2CC)c1[O-] ZINC000538782815 376271070 /nfs/dbraw/zinc/27/10/70/376271070.db2.gz HGDHZZWDZDZVRH-DGCLKSJQSA-N -1 3 261.365 3.215 20 0 CGADHM CCc1cccc(C(=O)N[C@@H](COC)c2ccccc2)c1[O-] ZINC000538817860 376275003 /nfs/dbraw/zinc/27/50/03/376275003.db2.gz AGHSCQBVSVWLEE-INIZCTEOSA-N -1 3 299.370 3.072 20 0 CGADHM C[C@@H]1C[C@H]1c1ccc(CNC(=O)c2cccc([O-])c2)o1 ZINC000540962324 376410599 /nfs/dbraw/zinc/41/05/99/376410599.db2.gz FCRNBVUUEQRZHQ-QMTHXVAHSA-N -1 3 271.316 3.039 20 0 CGADHM C[C@H](c1ccc(Cl)cc1)N1CCC[C@@H](C(=O)[O-])C1 ZINC000226398005 376358047 /nfs/dbraw/zinc/35/80/47/376358047.db2.gz FMJMEJQBWFHWIN-ZYHUDNBSSA-N -1 3 267.756 3.198 20 0 CGADHM O=C(N[C@@H](CC1CCCCC1)c1ccccc1)c1c[n-]nn1 ZINC000338395144 376362167 /nfs/dbraw/zinc/36/21/67/376362167.db2.gz OEEHFNCLVNIOCS-HNNXBMFYSA-N -1 3 298.390 3.246 20 0 CGADHM O=C(N[C@@H](CC1CCCCC1)c1ccccc1)c1cnn[n-]1 ZINC000338395144 376362176 /nfs/dbraw/zinc/36/21/76/376362176.db2.gz OEEHFNCLVNIOCS-HNNXBMFYSA-N -1 3 298.390 3.246 20 0 CGADHM O=C(N[C@@H](CC1CCCCC1)c1ccccc1)c1cn[n-]n1 ZINC000338395144 376362185 /nfs/dbraw/zinc/36/21/85/376362185.db2.gz OEEHFNCLVNIOCS-HNNXBMFYSA-N -1 3 298.390 3.246 20 0 CGADHM Cc1cc(C(=O)NC[C@H]2CCC[C@@H](C)C2)ccc1[O-] ZINC000227021707 376378927 /nfs/dbraw/zinc/37/89/27/376378927.db2.gz PXTFDEVWDBGIAX-YPMHNXCESA-N -1 3 261.365 3.257 20 0 CGADHM Cc1c2ccccc2oc1[C@@H](NCC(=O)[O-])C(C)C ZINC000263582917 190069964 /nfs/dbraw/zinc/06/99/64/190069964.db2.gz ZFCHDXKGGSEOQX-AWEZNQCLSA-N -1 3 261.321 3.113 20 0 CGADHM CCc1cccc(OCC(=O)Nc2ccc([O-])cc2F)c1 ZINC000542105787 376509402 /nfs/dbraw/zinc/50/94/02/376509402.db2.gz MOXTWWMLEYBQNL-UHFFFAOYSA-N -1 3 289.306 3.111 20 0 CGADHM CN(CC(C)(C)C)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000263826135 190080709 /nfs/dbraw/zinc/08/07/09/190080709.db2.gz NRXFLSKGUNTJTI-UHFFFAOYSA-N -1 3 272.348 3.059 20 0 CGADHM COc1ccc([O-])c(C(=O)N(C)C[C@H](C)c2ccccc2)c1 ZINC000263852997 190081753 /nfs/dbraw/zinc/08/17/53/190081753.db2.gz NJDGPNVBZXJLNF-ZDUSSCGKSA-N -1 3 299.370 3.277 20 0 CGADHM CC(=O)c1cc(F)c([N-]C(=O)c2cccs2)c(F)c1 ZINC000334300593 206333355 /nfs/dbraw/zinc/33/33/55/206333355.db2.gz UYJYMSIIMLXMMP-UHFFFAOYSA-N -1 3 281.283 3.481 20 0 CGADHM CC1(NC(=O)c2cc([O-])ccc2Cl)CCCCC1 ZINC000232874501 376590284 /nfs/dbraw/zinc/59/02/84/376590284.db2.gz PCEUCKLPVRSISO-UHFFFAOYSA-N -1 3 267.756 3.498 20 0 CGADHM O=C(NCc1ccsc1)c1cc([O-])ccc1Cl ZINC000236555829 376666971 /nfs/dbraw/zinc/66/69/71/376666971.db2.gz LKVQGSYLVWSBOR-UHFFFAOYSA-N -1 3 267.737 3.037 20 0 CGADHM CN(C(=O)c1cc(=O)c2ccccc2[n-]1)C1CCCCCC1 ZINC000334341153 206395874 /nfs/dbraw/zinc/39/58/74/206395874.db2.gz NWVKWFIJJPEAFV-UHFFFAOYSA-N -1 3 298.386 3.323 20 0 CGADHM [O-]c1ccc(-c2noc(C3Cc4ccccc4C3)n2)cc1 ZINC000236584511 376666244 /nfs/dbraw/zinc/66/62/44/376666244.db2.gz HBEDPPRISXZNID-UHFFFAOYSA-N -1 3 278.311 3.325 20 0 CGADHM O=C(N[C@@H]1C[C@H]1c1ccccc1)c1cc([O-])ccc1Cl ZINC000236608260 376671927 /nfs/dbraw/zinc/67/19/27/376671927.db2.gz DNLDXVNWGJENNV-SWLSCSKDSA-N -1 3 287.746 3.332 20 0 CGADHM COc1ccc(NC(=O)c2ccc3cc[nH]c3c2)c([O-])c1 ZINC000135411361 542087125 /nfs/dbraw/zinc/08/71/25/542087125.db2.gz RRZUGKRCHXQVBP-UHFFFAOYSA-N -1 3 282.299 3.134 20 0 CGADHM COc1ccc(NC(=O)c2ccc3ncccc3c2)c([O-])c1 ZINC000135411930 542088439 /nfs/dbraw/zinc/08/84/39/542088439.db2.gz KVXBEGIBCPNBIF-UHFFFAOYSA-N -1 3 294.310 3.201 20 0 CGADHM COc1ccc(NC(=O)c2ccnc3ccccc32)c([O-])c1 ZINC000135406435 542088496 /nfs/dbraw/zinc/08/84/96/542088496.db2.gz UVIXCOIYWMRLCO-UHFFFAOYSA-N -1 3 294.310 3.201 20 0 CGADHM CC1(C)CC(CC(=O)Nc2cccc([O-])c2F)C1 ZINC000334395239 206472420 /nfs/dbraw/zinc/47/24/20/206472420.db2.gz JXIHLSMOJYYRRS-UHFFFAOYSA-N -1 3 251.301 3.296 20 0 CGADHM COc1ccc(NC(=O)c2ccc3[nH]ccc3c2)c([O-])c1 ZINC000135431778 542088014 /nfs/dbraw/zinc/08/80/14/542088014.db2.gz HXKKLLMUKWAAFH-UHFFFAOYSA-N -1 3 282.299 3.134 20 0 CGADHM Cc1ccc(NC(=O)c2sccc2CN(C)C)c([O-])c1 ZINC000340031461 376894090 /nfs/dbraw/zinc/89/40/90/376894090.db2.gz BJIVTHNBBMKLCS-UHFFFAOYSA-N -1 3 290.388 3.076 20 0 CGADHM Cc1ccc(CCC(=O)Nc2ccc(C)cc2[O-])o1 ZINC000340032665 376895543 /nfs/dbraw/zinc/89/55/43/376895543.db2.gz BJLDTJWXRBKCJY-UHFFFAOYSA-N -1 3 259.305 3.173 20 0 CGADHM CCCN(CC(C)C)C(=O)c1cccc(CC)c1[O-] ZINC000556934551 376908687 /nfs/dbraw/zinc/90/86/87/376908687.db2.gz WYKCTBKUZSUFBS-UHFFFAOYSA-N -1 3 263.381 3.463 20 0 CGADHM O=C(Cc1coc2cc(F)ccc12)Nc1ccccc1[O-] ZINC000340119636 376924208 /nfs/dbraw/zinc/92/42/08/376924208.db2.gz BVHZXLBEKYBJSY-UHFFFAOYSA-N -1 3 285.274 3.459 20 0 CGADHM O=C(CCCc1nc2ccccc2[nH]1)Nc1ccccc1[O-] ZINC000340123532 376926972 /nfs/dbraw/zinc/92/69/72/376926972.db2.gz VLCFOLFHUJQZKA-UHFFFAOYSA-N -1 3 295.342 3.230 20 0 CGADHM C[C@H]1C[C@H](NC(=O)NCc2ccc([O-])c(F)c2)C[C@@H](C)C1 ZINC000246943553 377124110 /nfs/dbraw/zinc/12/41/10/377124110.db2.gz OLWOGSATSYVPRJ-PJXYFTJBSA-N -1 3 294.370 3.155 20 0 CGADHM CC(C)N(C(=O)c1cc([O-])ccc1Cl)C1CCC1 ZINC000340630460 377179977 /nfs/dbraw/zinc/17/99/77/377179977.db2.gz LZZPCQIPSNXLLM-UHFFFAOYSA-N -1 3 267.756 3.449 20 0 CGADHM CC(C)[C@@H](NC(=O)c1cccc2nn[n-]c21)c1ccccc1 ZINC000561365597 377222729 /nfs/dbraw/zinc/22/27/29/377222729.db2.gz ICYKEUBQZRTWTR-OAHLLOKOSA-N -1 3 294.358 3.085 20 0 CGADHM CC(C)[C@@H](NC(=O)c1cccc2[n-]nnc21)c1ccccc1 ZINC000561365597 377222734 /nfs/dbraw/zinc/22/27/34/377222734.db2.gz ICYKEUBQZRTWTR-OAHLLOKOSA-N -1 3 294.358 3.085 20 0 CGADHM CC(C)[C@@H](NC(=O)c1cccc2n[n-]nc21)c1ccccc1 ZINC000561365597 377222741 /nfs/dbraw/zinc/22/27/41/377222741.db2.gz ICYKEUBQZRTWTR-OAHLLOKOSA-N -1 3 294.358 3.085 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N2CCC[C@@H](CC(C)C)C2)n1 ZINC000562503110 377320177 /nfs/dbraw/zinc/32/01/77/377320177.db2.gz ZUBPNDLLPLCKGM-KBPBESRZSA-N -1 3 277.412 3.310 20 0 CGADHM c1coc(-c2cc(-c3nc(CC4CCCC4)no3)n[n-]2)c1 ZINC000340869717 377296619 /nfs/dbraw/zinc/29/66/19/377296619.db2.gz ATTGTFNBMRQLKR-UHFFFAOYSA-N -1 3 284.319 3.452 20 0 CGADHM c1coc(-c2cc(-c3nc(CC4CCCC4)no3)[n-]n2)c1 ZINC000340869717 377296629 /nfs/dbraw/zinc/29/66/29/377296629.db2.gz ATTGTFNBMRQLKR-UHFFFAOYSA-N -1 3 284.319 3.452 20 0 CGADHM Cc1noc(C2CC2)c1[N-]C(=O)c1ncccc1Cl ZINC000562850709 377366756 /nfs/dbraw/zinc/36/67/56/377366756.db2.gz GYTRSPSQOVJRIH-UHFFFAOYSA-N -1 3 277.711 3.161 20 0 CGADHM COc1cccc(Cl)c1CN(CCC(=O)[O-])CC(C)C ZINC000563284388 377437778 /nfs/dbraw/zinc/43/77/78/377437778.db2.gz WDNKBBREDIJRKO-UHFFFAOYSA-N -1 3 299.798 3.281 20 0 CGADHM CC[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccccc2F)C1 ZINC000085069147 249013621 /nfs/dbraw/zinc/01/36/21/249013621.db2.gz WEUWVKDFMWDTHL-VXGBXAGGSA-N -1 3 285.384 3.073 20 0 CGADHM CO[C@H](C)c1cccc(NC(=O)c2c([O-])cccc2O)c1 ZINC000092120797 249032970 /nfs/dbraw/zinc/03/29/70/249032970.db2.gz YCJLQXXSGHTOFH-SNVBAGLBSA-N -1 3 287.315 3.058 20 0 CGADHM CC(C)(C)[C@H]1CCCN(C(=O)c2c([O-])cccc2O)CC1 ZINC000092122191 249033048 /nfs/dbraw/zinc/03/30/48/249033048.db2.gz GCRXZLKCSRLIIP-LBPRGKRZSA-N -1 3 291.391 3.386 20 0 CGADHM C[C@H]1CCC[C@@H]1NCc1cccc([O-])c1Br ZINC000315045710 249098336 /nfs/dbraw/zinc/09/83/36/249098336.db2.gz QWSCTJHCGUODOK-ONGXEEELSA-N -1 3 284.197 3.433 20 0 CGADHM C[C@@H]1CCCN1Cc1ccc(C(=O)[O-])c(Cl)c1 ZINC000514608550 249182275 /nfs/dbraw/zinc/18/22/75/249182275.db2.gz VWVAJHJCFXBGFP-SECBINFHSA-N -1 3 253.729 3.023 20 0 CGADHM Cc1cc(S(=O)(=O)[N-]C(C)(C)C(C)C)sc1Cl ZINC000514767059 249188538 /nfs/dbraw/zinc/18/85/38/249188538.db2.gz KXFFKDALKCGEOG-UHFFFAOYSA-N -1 3 295.857 3.423 20 0 CGADHM CC(C)c1noc([N-][C@@H]2CCOc3ccc(F)cc32)n1 ZINC000265618152 190194275 /nfs/dbraw/zinc/19/42/75/190194275.db2.gz MNMAETFIXQWPKW-LLVKDONJSA-N -1 3 277.299 3.268 20 0 CGADHM CC[C@H](CC(F)F)C(=O)Nc1cccc([O-])c1F ZINC000517521121 249267159 /nfs/dbraw/zinc/26/71/59/249267159.db2.gz LVKZZIBCISCASM-SSDOTTSWSA-N -1 3 261.243 3.151 20 0 CGADHM C[C@H](C(=O)[O-])N(Cc1cccc(Cl)c1F)C1CCC1 ZINC000573934925 377597555 /nfs/dbraw/zinc/59/75/55/377597555.db2.gz JCPPCWZARHFIKK-SECBINFHSA-N -1 3 285.746 3.307 20 0 CGADHM C[C@@H](C(=O)[O-])N(Cc1cccc(Cl)c1F)C1CCC1 ZINC000573934926 377598667 /nfs/dbraw/zinc/59/86/67/377598667.db2.gz JCPPCWZARHFIKK-VIFPVBQESA-N -1 3 285.746 3.307 20 0 CGADHM C[C@H]1CC(NC(=O)c2cc(=O)c3ccccc3[n-]2)C[C@H](C)C1 ZINC000265768167 190205742 /nfs/dbraw/zinc/20/57/42/190205742.db2.gz CJWOVHCSNLAZSW-VXGBXAGGSA-N -1 3 298.386 3.495 20 0 CGADHM Cc1cc(CN([C@H](C)C2CC2)C2CC2)oc1C(=O)[O-] ZINC000574331563 377650724 /nfs/dbraw/zinc/65/07/24/377650724.db2.gz FOKWFZGAHMPKRK-SNVBAGLBSA-N -1 3 263.337 3.049 20 0 CGADHM C[C@H]1C[C@H](NC(=O)c2c[n-]c3ccccc3c2=O)C[C@@H](C)C1 ZINC000253543914 377697504 /nfs/dbraw/zinc/69/75/04/377697504.db2.gz NVGNBNVCZOPAAR-ITGUQSILSA-N -1 3 298.386 3.495 20 0 CGADHM CSc1ccccc1NC(=O)/C=C\c1cncc([O-])c1 ZINC000255764521 377778807 /nfs/dbraw/zinc/77/88/07/377778807.db2.gz ADADUBZKFFOVAM-SREVYHEPSA-N -1 3 286.356 3.161 20 0 CGADHM Cc1ccc(CN(C[C@@H](C)C(=O)[O-])C2CC2)c(Cl)c1 ZINC000575131014 377750891 /nfs/dbraw/zinc/75/08/91/377750891.db2.gz QHZYSWFFFFPXDQ-LLVKDONJSA-N -1 3 281.783 3.334 20 0 CGADHM Cc1c(Cl)cccc1NC(=O)/C=C\c1cncc([O-])c1 ZINC000255416149 377758829 /nfs/dbraw/zinc/75/88/29/377758829.db2.gz MCKKBIPCFDIKCD-WAYWQWQTSA-N -1 3 288.734 3.401 20 0 CGADHM O=C([N-]c1nnc(/C=C\c2ccco2)s1)c1ccoc1 ZINC000255907352 377787000 /nfs/dbraw/zinc/78/70/00/377787000.db2.gz GKGPQQGUOAPSKG-ARJAWSKDSA-N -1 3 287.300 3.147 20 0 CGADHM CSc1ccc(CN2C[C@H](C(=O)[O-])C[C@H](C)C2)s1 ZINC000263067243 377916708 /nfs/dbraw/zinc/91/67/08/377916708.db2.gz OIVSHUDBMPZUCK-VHSXEESVSA-N -1 3 285.434 3.013 20 0 CGADHM C[C@@H]1C[C@@H](C(=O)[O-])CN(Cc2cccc(C(F)F)c2)C1 ZINC000263103657 377919149 /nfs/dbraw/zinc/91/91/49/377919149.db2.gz BEISJYMUSAYWFA-ZWNOBZJWSA-N -1 3 283.318 3.167 20 0 CGADHM C[C@@H]1c2c(Cl)cc(Cl)cc2CCN1CCC(=O)[O-] ZINC000262928105 377910860 /nfs/dbraw/zinc/91/08/60/377910860.db2.gz ZYGJRKISOINZQR-MRVPVSSYSA-N -1 3 288.174 3.387 20 0 CGADHM C[C@H]1C[C@@H]1c1ccc(CN2CCC[C@H](C(=O)[O-])[C@@H]2C)o1 ZINC000263014011 377914076 /nfs/dbraw/zinc/91/40/76/377914076.db2.gz CPYVHZPHFCMASD-IMIFBBOLSA-N -1 3 277.364 3.088 20 0 CGADHM C[C@@H](CN(C)Cc1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC000578242750 378050168 /nfs/dbraw/zinc/05/01/68/378050168.db2.gz LIITZKHQJFYEQO-VIFPVBQESA-N -1 3 275.270 3.015 20 0 CGADHM O=C(Nc1c([O-])cccc1Cl)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000579130472 378133158 /nfs/dbraw/zinc/13/31/58/378133158.db2.gz XOQGZEFYBKQUGG-OPRDCNLKSA-N -1 3 265.740 3.420 20 0 CGADHM CCOCCC1(c2nc(-c3ccc([O-])cc3)no2)CCC1 ZINC000269282101 378202942 /nfs/dbraw/zinc/20/29/42/378202942.db2.gz KWYXYZSIJHCMRZ-UHFFFAOYSA-N -1 3 288.347 3.291 20 0 CGADHM C[C@H]1CCN(C(=O)CCOCC2CC2)c2c([O-])cccc21 ZINC000345159539 378207963 /nfs/dbraw/zinc/20/79/63/378207963.db2.gz MGIROASZDXEKOT-LBPRGKRZSA-N -1 3 289.375 3.049 20 0 CGADHM [O-]c1cccnc1CN(Cc1cccc(F)c1)C1CC1 ZINC000580244319 378234365 /nfs/dbraw/zinc/23/43/65/378234365.db2.gz ASBDFKHGEXQNCG-UHFFFAOYSA-N -1 3 272.323 3.091 20 0 CGADHM Cc1ccsc1CCNC(=O)c1cc([O-])ccc1Cl ZINC000345268976 378239067 /nfs/dbraw/zinc/23/90/67/378239067.db2.gz PAJGXCHIKPHTPB-UHFFFAOYSA-N -1 3 295.791 3.388 20 0 CGADHM Cc1ccccc1-c1cc(=NC(=O)[C@@H](C)C(C)(F)F)[nH][n-]1 ZINC000345310358 378252512 /nfs/dbraw/zinc/25/25/12/378252512.db2.gz WTDKTJGWCYROBS-SNVBAGLBSA-N -1 3 293.317 3.037 20 0 CGADHM CN(CC1CCC1)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000345576551 378315152 /nfs/dbraw/zinc/31/51/52/378315152.db2.gz CCFXPMGRKVIJDK-UHFFFAOYSA-N -1 3 279.355 3.113 20 0 CGADHM O=C(CCCc1ccc([O-])c(F)c1)N1Cc2ccccc2C1 ZINC000345583756 378316949 /nfs/dbraw/zinc/31/69/49/378316949.db2.gz CQWNBJJWYWZNCU-UHFFFAOYSA-N -1 3 299.345 3.396 20 0 CGADHM CC(=O)c1cccc(NC(=O)[C@@H](C)CC(F)(F)F)c1[O-] ZINC000583874231 378355130 /nfs/dbraw/zinc/35/51/30/378355130.db2.gz MYNRQSLZZDEVQM-ZETCQYMHSA-N -1 3 289.253 3.122 20 0 CGADHM O=C([O-])CCN(Cc1cccc(F)c1F)CC1CCCC1 ZINC000583877385 378355377 /nfs/dbraw/zinc/35/53/77/378355377.db2.gz HVSFATFZTHMFNM-UHFFFAOYSA-N -1 3 297.345 3.432 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2cc(-c3ccccc3)no2)n1 ZINC000345930295 378411745 /nfs/dbraw/zinc/41/17/45/378411745.db2.gz PIVGLWBUFBGLIQ-UHFFFAOYSA-N -1 3 295.298 3.003 20 0 CGADHM Cc1ccc(O)c([N-]C(=O)c2cc(-c3ccccc3)no2)n1 ZINC000345930295 378411754 /nfs/dbraw/zinc/41/17/54/378411754.db2.gz PIVGLWBUFBGLIQ-UHFFFAOYSA-N -1 3 295.298 3.003 20 0 CGADHM Cc1ccc([O-])c(NC(=O)[C@H](C)c2ccc(F)c(F)c2)n1 ZINC000345993222 378432340 /nfs/dbraw/zinc/43/23/40/378432340.db2.gz RNKVSFRNUAZFSG-SECBINFHSA-N -1 3 292.285 3.116 20 0 CGADHM Cc1ccc([O-])c(NC(=O)[C@@H](C)Sc2ccccc2)n1 ZINC000345997259 378434315 /nfs/dbraw/zinc/43/43/15/378434315.db2.gz TULAWFBVPPOYSB-LLVKDONJSA-N -1 3 288.372 3.215 20 0 CGADHM CC(C)c1cc(C(=O)[N-]c2ncc(F)cc2Cl)no1 ZINC000637435380 378503232 /nfs/dbraw/zinc/50/32/32/378503232.db2.gz QTDJEDKIQFOGGP-UHFFFAOYSA-N -1 3 283.690 3.238 20 0 CGADHM CCOc1nc2cc(C(=O)N[C@H](C)[C@@H](C)CC)ccc2[n-]1 ZINC000346377720 378561279 /nfs/dbraw/zinc/56/12/79/378561279.db2.gz FFXHIPVUJXMQJL-WDEREUQCSA-N -1 3 289.379 3.126 20 0 CGADHM CCOc1nc2ccc(C(=O)N[C@H](C)[C@@H](C)CC)cc2[n-]1 ZINC000346377720 378561283 /nfs/dbraw/zinc/56/12/83/378561283.db2.gz FFXHIPVUJXMQJL-WDEREUQCSA-N -1 3 289.379 3.126 20 0 CGADHM Cc1ccc([N-]C(=O)c2c(Cl)cncc2Cl)c(=O)[nH]1 ZINC000346548453 378615909 /nfs/dbraw/zinc/61/59/09/378615909.db2.gz JEUPBTQAKWSLJD-UHFFFAOYSA-N -1 3 298.129 3.050 20 0 CGADHM COc1cc(C(=O)N2CCC[C@@H]2C2CCCC2)ccc1[O-] ZINC000272571187 378666447 /nfs/dbraw/zinc/66/64/47/378666447.db2.gz CFDMGLUEKCIUGZ-CQSZACIVSA-N -1 3 289.375 3.196 20 0 CGADHM CC(C)[C@@H]1C[C@@H](CC(=O)[N-]OCc2ccccc2)CCO1 ZINC000272924362 378724308 /nfs/dbraw/zinc/72/43/08/378724308.db2.gz MDEXHHXSVOCGRL-HOTGVXAUSA-N -1 3 291.391 3.076 20 0 CGADHM CCCc1ccc([C@@H](C)NCc2cnc(C)[n-]c2=O)cc1 ZINC000346796785 218017281 /nfs/dbraw/zinc/01/72/81/218017281.db2.gz OANQQIIEOYADSO-GFCCVEGCSA-N -1 3 285.391 3.294 20 0 CGADHM C[C@H]1CCN(C(=O)CCC2CC2)c2c([O-])cccc21 ZINC000274390197 378824177 /nfs/dbraw/zinc/82/41/77/378824177.db2.gz PCYCUVLPSIDCGA-NSHDSACASA-N -1 3 259.349 3.423 20 0 CGADHM Cc1cccc2c(=O)c(C(=O)N3CC=C(C)CC3)c[n-]c12 ZINC000275118981 378939448 /nfs/dbraw/zinc/93/94/48/378939448.db2.gz MRMQWFLWDJRRRA-UHFFFAOYSA-N -1 3 282.343 3.041 20 0 CGADHM Cc1cc([C@H](C)NCc2ncccc2[O-])c(C)s1 ZINC000567085221 322149730 /nfs/dbraw/zinc/14/97/30/322149730.db2.gz VHIKQFCNCZWBPZ-JTQLQIEISA-N -1 3 262.378 3.316 20 0 CGADHM O=C(NC[C@@H]1CCC2(CCCCC2)O1)c1cccc([O-])c1 ZINC000276793997 378998269 /nfs/dbraw/zinc/99/82/69/378998269.db2.gz XCEURZCGSTWEPZ-HNNXBMFYSA-N -1 3 289.375 3.004 20 0 CGADHM COc1cccc(CN[C@@H](CC(=O)[O-])c2ccsc2)c1 ZINC000276931720 379025404 /nfs/dbraw/zinc/02/54/04/379025404.db2.gz BRXPCBBXRVUJBB-AWEZNQCLSA-N -1 3 291.372 3.062 20 0 CGADHM O=C([O-])C[C@@H](NCc1ccsc1)c1ccsc1 ZINC000276953145 379030551 /nfs/dbraw/zinc/03/05/51/379030551.db2.gz DVNVLVWNXBUMLG-LLVKDONJSA-N -1 3 267.375 3.115 20 0 CGADHM CC(C)c1noc([N-]Cc2cc(-c3ccccc3)on2)n1 ZINC000277029102 379049909 /nfs/dbraw/zinc/04/99/09/379049909.db2.gz DOMLLCTZJRPQRU-UHFFFAOYSA-N -1 3 284.319 3.460 20 0 CGADHM COc1ccc(CN[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])cc1 ZINC000277303194 379125060 /nfs/dbraw/zinc/12/50/60/379125060.db2.gz MYDTZNSZSJKSJH-DYVFJYSZSA-N -1 3 299.370 3.247 20 0 CGADHM C[C@H](C(=O)[O-])[C@H](NCc1cccs1)c1ccccc1 ZINC000277420076 379155633 /nfs/dbraw/zinc/15/56/33/379155633.db2.gz SWUYUDNMICTQMZ-FZMZJTMJSA-N -1 3 275.373 3.300 20 0 CGADHM CCOc1cc(-c2noc([C@@H]3CCCS3)n2)ccc1[O-] ZINC000277850757 379251171 /nfs/dbraw/zinc/25/11/71/379251171.db2.gz JLIYCKHFTIYVSI-LBPRGKRZSA-N -1 3 292.360 3.409 20 0 CGADHM CCOc1cc(-c2noc([C@H](C)SC)n2)ccc1[O-] ZINC000278095911 379293347 /nfs/dbraw/zinc/29/33/47/379293347.db2.gz OYBHGVNQQUWRDK-QMMMGPOBSA-N -1 3 280.349 3.265 20 0 CGADHM COc1cc(-c2noc([C@@H]3CCCS3)n2)ccc1[O-] ZINC000266637513 190272745 /nfs/dbraw/zinc/27/27/45/190272745.db2.gz WHHNUFNCMIMJKY-NSHDSACASA-N -1 3 278.333 3.019 20 0 CGADHM CC(C)CC[C@@H](NC(=O)c1csc(=O)[n-]1)C(C)(C)C ZINC000349854935 379423425 /nfs/dbraw/zinc/42/34/25/379423425.db2.gz PPBCYKNERPRTMW-LLVKDONJSA-N -1 3 284.425 3.429 20 0 CGADHM CC(C)CC[C@H](NC(=O)c1csc(=O)[n-]1)C(C)(C)C ZINC000349854936 379424837 /nfs/dbraw/zinc/42/48/37/379424837.db2.gz PPBCYKNERPRTMW-NSHDSACASA-N -1 3 284.425 3.429 20 0 CGADHM Cc1ccc(-c2cc(-c3nc(-c4ccoc4)no3)n[n-]2)o1 ZINC000350813525 379589041 /nfs/dbraw/zinc/58/90/41/379589041.db2.gz BVXKJCYXLDXYHY-UHFFFAOYSA-N -1 3 282.259 3.288 20 0 CGADHM Cc1ccc(-c2cc(-c3nc(-c4ccoc4)no3)[n-]n2)o1 ZINC000350813525 379589052 /nfs/dbraw/zinc/58/90/52/379589052.db2.gz BVXKJCYXLDXYHY-UHFFFAOYSA-N -1 3 282.259 3.288 20 0 CGADHM COC(=O)c1ccc(-c2nc([C@@H](C)C(C)(C)C)no2)[n-]1 ZINC000350532031 379554623 /nfs/dbraw/zinc/55/46/23/379554623.db2.gz UTVUXODKKYOXQI-MRVPVSSYSA-N -1 3 277.324 3.001 20 0 CGADHM CCOc1cc(-c2noc(-c3ccncc3C)n2)ccc1[O-] ZINC000350599209 379572238 /nfs/dbraw/zinc/57/22/38/379572238.db2.gz CCKJVNOJONPURP-UHFFFAOYSA-N -1 3 297.314 3.211 20 0 CGADHM C[C@@H]1CCN(C(=O)[C@H]2CCC(C)(C)O2)c2c([O-])cccc21 ZINC000280196017 379636274 /nfs/dbraw/zinc/63/62/74/379636274.db2.gz JZPJIBJUPZPIOH-BXUZGUMPSA-N -1 3 289.375 3.190 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2ccoc2C(C)C)n1 ZINC000280121142 379612979 /nfs/dbraw/zinc/61/29/79/379612979.db2.gz CNIMMGPEJCJTSB-UHFFFAOYSA-N -1 3 260.293 3.064 20 0 CGADHM CCSCCCc1noc(-c2cc(OC)ccc2[O-])n1 ZINC000350990479 379621027 /nfs/dbraw/zinc/62/10/27/379621027.db2.gz HKZZRKQSKAPCGK-UHFFFAOYSA-N -1 3 294.376 3.137 20 0 CGADHM CC(F)(F)C(=O)[N-][C@@H]1CCCOc2c(Cl)cccc21 ZINC000377399716 379671755 /nfs/dbraw/zinc/67/17/55/379671755.db2.gz GDFZYRRGTZKBRK-SNVBAGLBSA-N -1 3 289.709 3.325 20 0 CGADHM CCCc1cnc(NC(=O)c2cc(C(F)F)[n-]n2)s1 ZINC000640083058 379715912 /nfs/dbraw/zinc/71/59/12/379715912.db2.gz WDDCBDCFDZEGOH-UHFFFAOYSA-N -1 3 286.307 3.009 20 0 CGADHM CCCOc1cc(C)ccc1NC([O-])=NOCCSC ZINC000280627966 379750004 /nfs/dbraw/zinc/75/00/04/379750004.db2.gz WZRCRDAGBYTCDV-UHFFFAOYSA-N -1 3 298.408 3.200 20 0 CGADHM CCCOc1cc(C)ccc1NC(=O)[N-]OCCSC ZINC000280627966 379750007 /nfs/dbraw/zinc/75/00/07/379750007.db2.gz WZRCRDAGBYTCDV-UHFFFAOYSA-N -1 3 298.408 3.200 20 0 CGADHM COc1cc(NC(=O)[N-]OCC(C)C)c(C)cc1C ZINC000280464279 379711347 /nfs/dbraw/zinc/71/13/47/379711347.db2.gz IMSJLLKPIISVOA-UHFFFAOYSA-N -1 3 266.341 3.021 20 0 CGADHM CC[C@@H](CC(=O)NCc1ncccc1[O-])c1ccc(C)cc1 ZINC000352516749 379841764 /nfs/dbraw/zinc/84/17/64/379841764.db2.gz MOVODSSOKFIKSZ-AWEZNQCLSA-N -1 3 298.386 3.296 20 0 CGADHM Cc1ccccc1C1=CCN(C(=O)c2ccccc2[O-])C1 ZINC000378612722 379847504 /nfs/dbraw/zinc/84/75/04/379847504.db2.gz XKXUIAWBVGIFHC-UHFFFAOYSA-N -1 3 279.339 3.240 20 0 CGADHM CCC(CC)N(Cc1nc(C(=O)[O-])cs1)CC(C)C ZINC000378660706 379854518 /nfs/dbraw/zinc/85/45/18/379854518.db2.gz GWEMMKRCHPKKLH-UHFFFAOYSA-N -1 3 284.425 3.488 20 0 CGADHM [O-]c1ccc(F)c(CNC[C@@H]2CCc3ccccc32)c1F ZINC000352565365 379861914 /nfs/dbraw/zinc/86/19/14/379861914.db2.gz XVOUGNOTSWNDQL-LBPRGKRZSA-N -1 3 289.325 3.490 20 0 CGADHM Cc1cccc([O-])c1NC(=O)C1=Cc2cc(F)ccc2OC1 ZINC000352688055 379908637 /nfs/dbraw/zinc/90/86/37/379908637.db2.gz VOMPKXDNNLNTDN-UHFFFAOYSA-N -1 3 299.301 3.254 20 0 CGADHM CCC(CC)C(=O)N=c1[nH][n-]c(C)c1-c1cccc(F)c1 ZINC000640945746 379884455 /nfs/dbraw/zinc/88/44/55/379884455.db2.gz FZBCRMKMLASPGV-UHFFFAOYSA-N -1 3 289.354 3.321 20 0 CGADHM Cc1cccc([O-])c1NC(=O)Cc1cccc2cccnc21 ZINC000352644391 379888399 /nfs/dbraw/zinc/88/83/99/379888399.db2.gz FFQBFXWPWMFGCD-UHFFFAOYSA-N -1 3 292.338 3.430 20 0 CGADHM CC(C)C1(CNCc2c(F)ccc([O-])c2F)CC1 ZINC000352650234 379891831 /nfs/dbraw/zinc/89/18/31/379891831.db2.gz VLVVTQYOUWIQBT-UHFFFAOYSA-N -1 3 255.308 3.196 20 0 CGADHM Cc1csc(CCCC(=O)Nc2ccc(C)cc2[O-])n1 ZINC000282928371 380014108 /nfs/dbraw/zinc/01/41/08/380014108.db2.gz JJOXANFLFVDLLV-UHFFFAOYSA-N -1 3 290.388 3.427 20 0 CGADHM [O-]c1cccc(CN2CCC[C@@H](OCC3CC3)C2)c1Cl ZINC000352976202 380063462 /nfs/dbraw/zinc/06/34/62/380063462.db2.gz YQVPVJPTPWISLN-CQSZACIVSA-N -1 3 295.810 3.437 20 0 CGADHM O=C(c1cc([O-])ccc1Cl)N1CCCC[C@H]1C(F)F ZINC000353020303 380077878 /nfs/dbraw/zinc/07/78/78/380077878.db2.gz HUOPEQOBUINBCC-NSHDSACASA-N -1 3 289.709 3.305 20 0 CGADHM O=C(c1cc([O-])ccc1Cl)N1CCc2cc(F)ccc21 ZINC000353229509 380179202 /nfs/dbraw/zinc/17/92/02/380179202.db2.gz KJKXKYNGHXYJLT-UHFFFAOYSA-N -1 3 291.709 3.388 20 0 CGADHM CCc1cccc(OCCOc2ccc3c([O-])coc3c2)c1 ZINC000642608574 380179664 /nfs/dbraw/zinc/17/96/64/380179664.db2.gz IDZMZENKSBESSI-UHFFFAOYSA-N -1 3 298.338 3.282 20 0 CGADHM CCN(Cc1occc1C)Cc1nc(C)ccc1[O-] ZINC000414548206 380312479 /nfs/dbraw/zinc/31/24/79/380312479.db2.gz JJXFRYCPNKQLPT-UHFFFAOYSA-N -1 3 260.337 3.019 20 0 CGADHM CC[C@H]([N-]C(=O)C(F)F)c1ccc(Cl)s1 ZINC000279095361 194282496 /nfs/dbraw/zinc/28/24/96/194282496.db2.gz UIEHYGYYCGWTQW-YFKPBYRVSA-N -1 3 253.701 3.234 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)c2c(C)cc[nH]c2=O)c1[O-] ZINC000354590222 380496618 /nfs/dbraw/zinc/49/66/18/380496618.db2.gz DAEZSEHXPHCZIH-UHFFFAOYSA-N -1 3 292.722 3.015 20 0 CGADHM Cc1cc(C(=O)Nc2ncccc2[O-])c2nccc(C)c2c1 ZINC000354618802 380503614 /nfs/dbraw/zinc/50/36/14/380503614.db2.gz UKHJVPNXEISSCW-UHFFFAOYSA-N -1 3 293.326 3.205 20 0 CGADHM CCCOc1ccccc1NCc1cc(=O)[n-]c(C2CC2)n1 ZINC000416997178 380559009 /nfs/dbraw/zinc/55/90/09/380559009.db2.gz KCYBXFRCPHQKMG-UHFFFAOYSA-N -1 3 299.374 3.461 20 0 CGADHM O=C([O-])C1(CNCc2ccc(-c3ccccc3)cc2F)CC1 ZINC000417607001 380648441 /nfs/dbraw/zinc/64/84/41/380648441.db2.gz GIYSCNSXCSWIQA-UHFFFAOYSA-N -1 3 299.345 3.447 20 0 CGADHM CC[C@@H](CNCc1ncc(C(C)(C)C)s1)CC(=O)[O-] ZINC000417566961 380640172 /nfs/dbraw/zinc/64/01/72/380640172.db2.gz NWQCUSZMIUEOSN-SNVBAGLBSA-N -1 3 284.425 3.031 20 0 CGADHM CCOc1c(Cl)cccc1CNCCC[C@@H](C)C(=O)[O-] ZINC000417573518 380642145 /nfs/dbraw/zinc/64/21/45/380642145.db2.gz VVNXPJCKENGFBG-LLVKDONJSA-N -1 3 299.798 3.329 20 0 CGADHM CC(C)(C)c1cnc(CN[C@H]2CCC[C@@]2(C)C(=O)[O-])s1 ZINC000417585680 380645300 /nfs/dbraw/zinc/64/53/00/380645300.db2.gz ZSUYJTYRKGAVHF-ZUZCIYMTSA-N -1 3 296.436 3.174 20 0 CGADHM Cc1ccccc1[C@@H](CO)NCc1cccc([O-])c1Cl ZINC000645160432 380598669 /nfs/dbraw/zinc/59/86/69/380598669.db2.gz ALGTUHCWICFJNJ-CQSZACIVSA-N -1 3 291.778 3.177 20 0 CGADHM O=C([O-])[C@@H](CC1CCC1)NCc1c(F)cccc1Cl ZINC000417713894 380670740 /nfs/dbraw/zinc/67/07/40/380670740.db2.gz YXULRHARZPVZNB-CYBMUJFWSA-N -1 3 285.746 3.212 20 0 CGADHM Cc1ccc([O-])c(NC(=O)C(C2CCC2)C2CCC2)n1 ZINC000355513183 380695701 /nfs/dbraw/zinc/69/57/01/380695701.db2.gz ZQHVVUKDWBRVHO-UHFFFAOYSA-N -1 3 274.364 3.251 20 0 CGADHM O=C([O-])[C@@H](CC1CC1)NCc1cc(Cl)ccc1Cl ZINC000417622105 380654780 /nfs/dbraw/zinc/65/47/80/380654780.db2.gz LNPDQINPDUHIAU-GFCCVEGCSA-N -1 3 288.174 3.336 20 0 CGADHM Cc1cccc(C)c1CNC[C@H](CC(=O)[O-])C(F)(F)F ZINC000417631264 380657991 /nfs/dbraw/zinc/65/79/91/380657991.db2.gz RWLPCTSVSVERRF-NSHDSACASA-N -1 3 289.297 3.046 20 0 CGADHM C[C@@H](CCC(=O)[O-])NCc1ccc(F)c(Cl)c1Cl ZINC000417629068 380658391 /nfs/dbraw/zinc/65/83/91/380658391.db2.gz RMMYDHBAEPBIAM-ZETCQYMHSA-N -1 3 294.153 3.475 20 0 CGADHM CC(C)C(NC(=O)c1cc([O-])ccc1Cl)C(C)C ZINC000645835586 380745959 /nfs/dbraw/zinc/74/59/59/380745959.db2.gz HRFYQLWHCHXKJK-UHFFFAOYSA-N -1 3 269.772 3.456 20 0 CGADHM [O-]c1cccc(CN2CCC[C@@H](n3ccnc3)C2)c1Cl ZINC000646071558 380822184 /nfs/dbraw/zinc/82/21/84/380822184.db2.gz SJOFZXQTLGWDEG-CYBMUJFWSA-N -1 3 291.782 3.079 20 0 CGADHM CC[C@@H]1CCC[C@@H](NC(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC000334758571 207025885 /nfs/dbraw/zinc/02/58/85/207025885.db2.gz FGUUHVXJKWLZJA-CHWSQXEVSA-N -1 3 298.386 3.227 20 0 CGADHM C[C@@H]1CN(C(=O)Cc2ccc([O-])cc2Cl)C(C)(C)C1 ZINC000357314760 381100742 /nfs/dbraw/zinc/10/07/42/381100742.db2.gz YTYUUHVHFCFAGE-JTQLQIEISA-N -1 3 281.783 3.235 20 0 CGADHM CCN(C(=O)c1cccc([O-])c1)c1ccccc1OC ZINC000357324341 381106212 /nfs/dbraw/zinc/10/62/12/381106212.db2.gz PYRFNBVSDWCEMR-UHFFFAOYSA-N -1 3 271.316 3.068 20 0 CGADHM CCS[C@@H]1CC[C@H](N(C)C(=O)c2cccc([O-])c2)C1 ZINC000357365670 381129866 /nfs/dbraw/zinc/12/98/66/381129866.db2.gz OAVGQEYILRWKLP-GXTWGEPZSA-N -1 3 279.405 3.138 20 0 CGADHM Cc1noc([N-]C(=O)c2cc(-c3ccccc3)no2)c1C ZINC000359762020 381366145 /nfs/dbraw/zinc/36/61/45/381366145.db2.gz LKYJIGRSLAIGJM-UHFFFAOYSA-N -1 3 283.287 3.199 20 0 CGADHM CCC(CC)c1cc(C(=O)[N-]c2nc(C)cc(C)n2)on1 ZINC000361440179 381747717 /nfs/dbraw/zinc/74/77/17/381747717.db2.gz MXZVMWDLQHONRS-UHFFFAOYSA-N -1 3 288.351 3.237 20 0 CGADHM CC[C@@]1(C)CN(C(=O)c2cc([O-])c3ccccc3c2)CCO1 ZINC000281160097 542383579 /nfs/dbraw/zinc/38/35/79/542383579.db2.gz IXSLDFSZXFEENU-SFHVURJKSA-N -1 3 299.370 3.187 20 0 CGADHM Cc1occc1-c1noc(-c2n[n-]nc2-c2ccccc2)n1 ZINC000350432982 219019901 /nfs/dbraw/zinc/01/99/01/219019901.db2.gz HBQVOMUADLNMGF-UHFFFAOYSA-N -1 3 293.286 3.090 20 0 CGADHM Cc1cc(C(=O)Nc2ccc(-n3cccn3)cc2)ccc1[O-] ZINC000353883492 220386785 /nfs/dbraw/zinc/38/67/85/220386785.db2.gz VLTYWMNMLDYTNQ-UHFFFAOYSA-N -1 3 293.326 3.139 20 0 CGADHM O=C([O-])c1cccc(CN2CCC(C(F)(F)F)CC2)c1 ZINC000088422885 304259696 /nfs/dbraw/zinc/25/96/96/304259696.db2.gz JWWSBWXUVGUYAZ-UHFFFAOYSA-N -1 3 287.281 3.159 20 0 CGADHM COCC1CCC(N=c2[n-]c(C(F)(F)F)cs2)CC1 ZINC000413535194 533162912 /nfs/dbraw/zinc/16/29/12/533162912.db2.gz SIOBWWMDMOHXQS-UHFFFAOYSA-N -1 3 294.342 3.201 20 0 CGADHM CC1(C)CCC(O)(CNCc2cccc([O-])c2Cl)CC1 ZINC000328350893 542444269 /nfs/dbraw/zinc/44/42/69/542444269.db2.gz MZKYSEVBEBIECT-UHFFFAOYSA-N -1 3 297.826 3.467 20 0 CGADHM O=C(Nc1ccc([O-])cc1F)[C@@H]1CC[C@H](C(F)(F)F)C1 ZINC000334435804 542456703 /nfs/dbraw/zinc/45/67/03/542456703.db2.gz PIQSTIAAFVEJBN-SFYZADRCSA-N -1 3 291.244 3.448 20 0 CGADHM C[C@@H](C[C@H]1CCCO1)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000353895085 542561225 /nfs/dbraw/zinc/56/12/25/542561225.db2.gz DFQGVGGXAJWHHK-SWLSCSKDSA-N -1 3 299.370 3.233 20 0 CGADHM [O-]c1cc(F)cc(CN2CC[C@@]3(C2)OCc2ccccc23)c1 ZINC000336330401 285381094 /nfs/dbraw/zinc/38/10/94/285381094.db2.gz HISIFDXIDKHKPZ-SFHVURJKSA-N -1 3 299.345 3.163 20 0 CGADHM [O-]c1ccc(-c2noc([C@@H]3OCCc4ccccc43)n2)cc1 ZINC000362782463 285383471 /nfs/dbraw/zinc/38/34/71/285383471.db2.gz UBMBXKBINNJRJF-OAHLLOKOSA-N -1 3 294.310 3.104 20 0 CGADHM CO[C@](C)(c1noc(-c2cccc(C)c2[O-])n1)C1CC1 ZINC000436954930 533357727 /nfs/dbraw/zinc/35/77/27/533357727.db2.gz IZGAOZDLVZNEFE-HNNXBMFYSA-N -1 3 274.320 3.022 20 0 CGADHM COc1cccc(-c2nc(-c3ccc([O-])c(OC)c3)no2)c1 ZINC000436783788 533371356 /nfs/dbraw/zinc/37/13/56/533371356.db2.gz IPJRTSVZYHHOCQ-UHFFFAOYSA-N -1 3 298.298 3.126 20 0 CGADHM C[C@@H](CCC(=O)[O-])CNCc1ccc(F)cc1Cl ZINC000426654185 533515614 /nfs/dbraw/zinc/51/56/14/533515614.db2.gz IYNJFCKUBMTTSG-VIFPVBQESA-N -1 3 273.735 3.070 20 0 CGADHM Cc1ccc(C(=O)N[C@H]2C[C@H](c3ccccc3)C2)c([O-])c1 ZINC000437400806 533601683 /nfs/dbraw/zinc/60/16/83/533601683.db2.gz QAYVCJQGGPSEDV-SHTZXODSSA-N -1 3 281.355 3.377 20 0 CGADHM COc1ccc(CN(C)C(=O)c2ccc([O-])c(C)c2)cc1C ZINC000436940230 533534133 /nfs/dbraw/zinc/53/41/33/533534133.db2.gz VEQWRCZUCMTHJJ-UHFFFAOYSA-N -1 3 299.370 3.290 20 0 CGADHM Cc1ccc(C(=O)Nc2ccc3c(c2)ncn3C)c([O-])c1C ZINC000436574896 533611604 /nfs/dbraw/zinc/61/16/04/533611604.db2.gz NATLZLKZIJDHFC-UHFFFAOYSA-N -1 3 295.342 3.148 20 0 CGADHM COc1cc(C)cc(-c2nc(-c3ncccc3C)no2)c1[O-] ZINC000436887385 533615351 /nfs/dbraw/zinc/61/53/51/533615351.db2.gz JLGDNNRDAKCZSV-UHFFFAOYSA-N -1 3 297.314 3.130 20 0 CGADHM C[C@H](NCc1cc(F)ccc1F)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000400296026 542621486 /nfs/dbraw/zinc/62/14/86/542621486.db2.gz SBMMYMKVRGKNGX-TVYUQYBPSA-N -1 3 297.345 3.190 20 0 CGADHM Cc1ccc(C(=O)N[C@@H]2CCc3ccccc32)c([O-])c1 ZINC000048405687 391998288 /nfs/dbraw/zinc/99/82/88/391998288.db2.gz DDLHKVFURLLURV-OAHLLOKOSA-N -1 3 267.328 3.118 20 0 CGADHM O=C(Nc1ncccc1[O-])c1ccc(OC2CCCC2)cc1 ZINC000028869141 391954458 /nfs/dbraw/zinc/95/44/58/391954458.db2.gz QUAQSATXPZFWQW-UHFFFAOYSA-N -1 3 298.342 3.361 20 0 CGADHM CCSc1cc(C(=O)Nc2ccc(C)cc2[O-])ccn1 ZINC000048911690 392025874 /nfs/dbraw/zinc/02/58/74/392025874.db2.gz YMBLWCOCIQKZHS-UHFFFAOYSA-N -1 3 288.372 3.460 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CCCc3ccccc3C2)c1 ZINC000062946112 392134772 /nfs/dbraw/zinc/13/47/72/392134772.db2.gz PVKXOQOMNIKUNO-UHFFFAOYSA-N -1 3 281.355 3.289 20 0 CGADHM Cc1cccc2c(=O)c(C(=O)N3CCC[C@H](C)C3)c[n-]c12 ZINC000107103453 392316745 /nfs/dbraw/zinc/31/67/45/392316745.db2.gz PPWPDYBWDYWONP-NSHDSACASA-N -1 3 284.359 3.121 20 0 CGADHM CCCO[C@@H]1CCCN(C(=O)c2cc(C)ccc2[O-])CC1 ZINC000108235080 392340419 /nfs/dbraw/zinc/34/04/19/392340419.db2.gz ICTCLTWSLORMGN-CQSZACIVSA-N -1 3 291.391 3.122 20 0 CGADHM CCC(CC)[C@@H](C)C(=O)Nc1ccc(OC)cc1[O-] ZINC000443577656 542667878 /nfs/dbraw/zinc/66/78/78/542667878.db2.gz RJEKIFFEYKUGDW-SNVBAGLBSA-N -1 3 265.353 3.412 20 0 CGADHM C[C@@H]1OCCC[C@H]1C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000330393866 392693107 /nfs/dbraw/zinc/69/31/07/392693107.db2.gz CQURWSKZUHQEDG-WCQYABFASA-N -1 3 291.391 3.443 20 0 CGADHM CC1(C(=O)[O-])CCN(C/C=C\c2ccc(F)cc2F)CC1 ZINC000647464229 392726977 /nfs/dbraw/zinc/72/69/77/392726977.db2.gz CUGPCCZMSNOJNB-IHWYPQMZSA-N -1 3 295.329 3.165 20 0 CGADHM CCc1ccc2nccc(N3CCC(C)(C(=O)[O-])CC3)c2c1 ZINC000647457646 392727496 /nfs/dbraw/zinc/72/74/96/392727496.db2.gz UGTZIDGDJWUUQK-UHFFFAOYSA-N -1 3 298.386 3.488 20 0 CGADHM CC(C)C1CCC(NC(=O)c2cccc([O-])c2)CC1 ZINC000509268785 392739395 /nfs/dbraw/zinc/73/93/95/392739395.db2.gz QKZJNZJJCJNKCH-UHFFFAOYSA-N -1 3 261.365 3.337 20 0 CGADHM Cc1ccccc1CCNCc1c(F)ccc([O-])c1F ZINC000509591855 392760813 /nfs/dbraw/zinc/76/08/13/392760813.db2.gz KXBZYPJILHWHAB-UHFFFAOYSA-N -1 3 277.314 3.311 20 0 CGADHM Cc1cc(C)c2[n-]cc(C(=O)N3C[C@@H](C)C[C@H]3C)c(=O)c2c1 ZINC000331989113 392697487 /nfs/dbraw/zinc/69/74/87/392697487.db2.gz NQDKGVNZBHLRGU-WCQYABFASA-N -1 3 298.386 3.015 20 0 CGADHM C[C@@H](c1ccc(F)cc1F)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000647368266 392709651 /nfs/dbraw/zinc/70/96/51/392709651.db2.gz OZIGWXBKBVYPIH-NRUUGDAUSA-N -1 3 283.318 3.068 20 0 CGADHM CO[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1[O-])C(C)C ZINC000506252899 392717562 /nfs/dbraw/zinc/71/75/62/392717562.db2.gz IJODYVBIIQFTPO-AWEZNQCLSA-N -1 3 279.380 3.299 20 0 CGADHM C[C@@H](CC(=O)Nc1[nH][n-]c2cc(=O)ccc1-2)c1ccccc1 ZINC000647801987 392803086 /nfs/dbraw/zinc/80/30/86/392803086.db2.gz DYRXVOWWCAVZTF-NSHDSACASA-N -1 3 295.342 3.401 20 0 CGADHM [O-]c1ccc(F)c(CNCCc2cc(F)cc(F)c2)c1F ZINC000510629144 392806693 /nfs/dbraw/zinc/80/66/93/392806693.db2.gz KLUZKEWPLZRROJ-UHFFFAOYSA-N -1 3 299.267 3.281 20 0 CGADHM Cc1cc([O-])c2nc(/C=C/c3csnn3)ccc2c1 ZINC000191377674 392829829 /nfs/dbraw/zinc/82/98/29/392829829.db2.gz MBMRLOBWRXSQJA-SNAWJCMRSA-N -1 3 269.329 3.271 20 0 CGADHM CCc1nc(C(=O)[N-]c2cc(Cl)cc(F)c2F)co1 ZINC000336344490 392848752 /nfs/dbraw/zinc/84/87/52/392848752.db2.gz SFQNFKYTEMYXLN-UHFFFAOYSA-N -1 3 286.665 3.421 20 0 CGADHM Cc1ccc(C(=O)NCC2(C3CC3)CCC2)c([O-])c1 ZINC000393633572 392936237 /nfs/dbraw/zinc/93/62/37/392936237.db2.gz QJBKBFQLEFLIOC-UHFFFAOYSA-N -1 3 259.349 3.011 20 0 CGADHM CCSCc1noc(-c2cccc(CC)c2[O-])n1 ZINC000547137287 393092497 /nfs/dbraw/zinc/09/24/97/393092497.db2.gz MJUAWKQOGYXLIY-UHFFFAOYSA-N -1 3 264.350 3.258 20 0 CGADHM Cc1cc(NCc2cc([O-])cc(F)c2)nn1[C@H](C)C1CC1 ZINC000546728822 393072050 /nfs/dbraw/zinc/07/20/50/393072050.db2.gz OVJPUBKXDKPXGA-LLVKDONJSA-N -1 3 289.354 3.041 20 0 CGADHM CCc1cccc(C(=O)N[C@H](C)CC(F)(F)F)c1[O-] ZINC000547364117 393108160 /nfs/dbraw/zinc/10/81/60/393108160.db2.gz FRRIZUHYNPPAHC-MRVPVSSYSA-N -1 3 275.270 3.025 20 0 CGADHM CN(CC(C)(C)C)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000469142133 393178302 /nfs/dbraw/zinc/17/83/02/393178302.db2.gz UPIBDUJAJLTSHO-UHFFFAOYSA-N -1 3 281.371 3.359 20 0 CGADHM CCCc1cc(=O)[n-]c(C(=Cc2c(C)cnn2C)CC)n1 ZINC000349109234 393137562 /nfs/dbraw/zinc/13/75/62/393137562.db2.gz MGBJOCBKHJBTRZ-WQLSENKSSA-N -1 3 286.379 3.127 20 0 CGADHM CC[C@H](C)[C@H](C)NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000468616793 393155798 /nfs/dbraw/zinc/15/57/98/393155798.db2.gz CLKQFQDJXICSSN-RYUDHWBXSA-N -1 3 281.371 3.405 20 0 CGADHM COc1ccc([O-])c(C(=O)N2CC(C)(C)CC(C)(C)C2)c1 ZINC000468707307 393158364 /nfs/dbraw/zinc/15/83/64/393158364.db2.gz OGXGNBLMJUXEAQ-UHFFFAOYSA-N -1 3 291.391 3.299 20 0 CGADHM C[C@H]1C[C@H](C)N(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000469379071 393188620 /nfs/dbraw/zinc/18/86/20/393188620.db2.gz MOWTYIWGXVLTKU-RYUDHWBXSA-N -1 3 279.355 3.111 20 0 CGADHM Cc1cccc(C(=O)N2CCC[C@H](c3ccccn3)C2)c1[O-] ZINC000646439433 393288189 /nfs/dbraw/zinc/28/81/89/393288189.db2.gz FCOGPZDPOGUUJZ-AWEZNQCLSA-N -1 3 296.370 3.115 20 0 CGADHM C[C@@H]1CN(C(=O)c2cc([O-])ccc2C(F)(F)F)C[C@H]1C ZINC000276360325 393296832 /nfs/dbraw/zinc/29/68/32/393296832.db2.gz ADMBRPZXXLMRQW-RKDXNWHRSA-N -1 3 287.281 3.139 20 0 CGADHM Cc1cc(C(=O)NC2(c3ccccc3C)CC2)ccc1[O-] ZINC000648959098 393298734 /nfs/dbraw/zinc/29/87/34/393298734.db2.gz JJFYXZREQPLIML-UHFFFAOYSA-N -1 3 281.355 3.428 20 0 CGADHM C[C@@H]1[C@H](C)CN(C(=O)CCCc2ccc([O-])c(F)c2)[C@H]1C ZINC000416325604 393299854 /nfs/dbraw/zinc/29/98/54/393299854.db2.gz SXFHFSKKHRJWQT-UPJWGTAASA-N -1 3 293.382 3.357 20 0 CGADHM Cc1cc(C)cc(NC(=O)c2ccc3[nH][n-]c(=O)c3c2)c1 ZINC000646583563 393306676 /nfs/dbraw/zinc/30/66/76/393306676.db2.gz YEIWIUYZFOWZST-UHFFFAOYSA-N -1 3 281.315 3.138 20 0 CGADHM C[C@]1([N-]S(=O)(=O)c2ccc(Cl)s2)CC=CCC1 ZINC000416557158 393314582 /nfs/dbraw/zinc/31/45/82/393314582.db2.gz JTOLSYMIDPRSEY-NSHDSACASA-N -1 3 291.825 3.179 20 0 CGADHM CC[C@H](F)CSCc1cc(=O)[n-]c(C2CC2)n1 ZINC000419493956 393394336 /nfs/dbraw/zinc/39/43/36/393394336.db2.gz NNMCUZSLQMVVRW-VIFPVBQESA-N -1 3 256.346 3.041 20 0 CGADHM CC[C@H](NC(=O)NCc1ccc([O-])c(F)c1)[C@H]1CC1(C)C ZINC000416729310 393338797 /nfs/dbraw/zinc/33/87/97/393338797.db2.gz KWQDPLGJFXSXKR-YPMHNXCESA-N -1 3 294.370 3.155 20 0 CGADHM CC(C)Cc1csc2[n-]c(-c3ccncn3)nc(=O)c12 ZINC000281079724 393348135 /nfs/dbraw/zinc/34/81/35/393348135.db2.gz UJDWGSDDZIAQEH-UHFFFAOYSA-N -1 3 286.360 3.052 20 0 CGADHM CC1=CCCN(C(=O)c2cc([O-])ccc2C(F)(F)F)C1 ZINC000281838925 393355132 /nfs/dbraw/zinc/35/51/32/393355132.db2.gz QRPBCFNPSRTOAT-UHFFFAOYSA-N -1 3 285.265 3.203 20 0 CGADHM COC[C@@H](C)SCc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000419422154 393376628 /nfs/dbraw/zinc/37/66/28/393376628.db2.gz QDBULGGKWZMKSE-LLVKDONJSA-N -1 3 290.388 3.117 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@H]1CCCC1(C)C ZINC000649229937 393377462 /nfs/dbraw/zinc/37/74/62/393377462.db2.gz SREUONGSPRMTCI-LLVKDONJSA-N -1 3 263.385 3.028 20 0 CGADHM Cc1cc2ccc(C(=O)N=c3[nH][n-]c(C(C)C)c3C)cn2c1 ZINC000649230048 393377593 /nfs/dbraw/zinc/37/75/93/393377593.db2.gz XEWMARKVGNXWPD-UHFFFAOYSA-N -1 3 296.374 3.077 20 0 CGADHM CC[C@H]1CCC[C@H]1C(=O)N=c1[nH][n-]c(C(C)C)c1C ZINC000649229262 393377855 /nfs/dbraw/zinc/37/78/55/393377855.db2.gz ULJGRZSSTCRGST-NWDGAFQWSA-N -1 3 263.385 3.028 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)c1cc(F)cc(Cl)c1 ZINC000649231254 393379247 /nfs/dbraw/zinc/37/92/47/393379247.db2.gz NBKXTDCVOGJBBD-UHFFFAOYSA-N -1 3 295.745 3.308 20 0 CGADHM CCC(C)(CC)[N-]S(=O)(=O)c1cc(F)c(C)cc1F ZINC000475748383 393416293 /nfs/dbraw/zinc/41/62/93/393416293.db2.gz HBQLWKXJAWEDST-UHFFFAOYSA-N -1 3 291.363 3.130 20 0 CGADHM CC[C@H](C)[C@@H](OC)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000356525701 393473449 /nfs/dbraw/zinc/47/34/49/393473449.db2.gz BNPHHKHBJMRILO-QPUJVOFHSA-N -1 3 271.744 3.045 20 0 CGADHM CCCC1(c2noc(-c3ccc(C(=O)OC)[n-]3)n2)CCC1 ZINC000420521498 393496057 /nfs/dbraw/zinc/49/60/57/393496057.db2.gz KCVGWOKHGZOMPS-UHFFFAOYSA-N -1 3 289.335 3.073 20 0 CGADHM CC[C@@H]1C[C@@H](CC(=O)Nc2ccc([O-])cc2F)CCO1 ZINC000360853927 393598967 /nfs/dbraw/zinc/59/89/67/393598967.db2.gz SNQIEFGVNOWTND-CMPLNLGQSA-N -1 3 281.327 3.065 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CC3(CCC3)C[C@@H]2C)c1 ZINC000432626130 393624076 /nfs/dbraw/zinc/62/40/76/393624076.db2.gz GKBPEMFSRUJDCZ-LBPRGKRZSA-N -1 3 273.376 3.359 20 0 CGADHM CCc1cc(=O)[n-]c(CN2CCC[C@@H](c3ccccc3)C2)n1 ZINC000433076567 393682421 /nfs/dbraw/zinc/68/24/21/393682421.db2.gz KVBBYPAQOBCIDA-OAHLLOKOSA-N -1 3 297.402 3.124 20 0 CGADHM COc1cc(C(=O)NCc2cccc(C(C)C)c2)ccc1[O-] ZINC000443104673 393745032 /nfs/dbraw/zinc/74/50/32/393745032.db2.gz FGHAMMOOBDCRQY-UHFFFAOYSA-N -1 3 299.370 3.454 20 0 CGADHM CCOc1cc(-c2noc(/C=C/c3ccc[nH]3)n2)ccc1[O-] ZINC000445430982 393793116 /nfs/dbraw/zinc/79/31/16/393793116.db2.gz KZPXOTPKCCIKRM-SOFGYWHQSA-N -1 3 297.314 3.339 20 0 CGADHM CCc1ccc([O-])c(C(=O)NCc2ccc(F)c(F)c2)c1 ZINC000500745317 393837367 /nfs/dbraw/zinc/83/73/67/393837367.db2.gz FPYNRPAOHNACDK-UHFFFAOYSA-N -1 3 291.297 3.163 20 0 CGADHM CC1(C)CCCC[C@@H]1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000447440508 393864989 /nfs/dbraw/zinc/86/49/89/393864989.db2.gz NANWWLODSZKRAY-CYBMUJFWSA-N -1 3 299.378 3.022 20 0 CGADHM CC1(C)CCCC[C@@H]1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000447440508 393864990 /nfs/dbraw/zinc/86/49/90/393864990.db2.gz NANWWLODSZKRAY-CYBMUJFWSA-N -1 3 299.378 3.022 20 0 CGADHM COc1ccc([O-])c(C(=O)NC2CC(c3ccccc3)C2)c1 ZINC000500939122 393843275 /nfs/dbraw/zinc/84/32/75/393843275.db2.gz CFQMSKOXZJRBPQ-UHFFFAOYSA-N -1 3 297.354 3.077 20 0 CGADHM CSc1cc(O)ccc1[N-]C(=O)c1ccc(C(C)=O)o1 ZINC000446342558 393860521 /nfs/dbraw/zinc/86/05/21/393860521.db2.gz RZXKNJVYHKNYPY-UHFFFAOYSA-N -1 3 291.328 3.162 20 0 CGADHM CSc1ccc([O-])c(C(=O)N2CCC[C@H]2C(C)C)c1 ZINC000667207860 542853687 /nfs/dbraw/zinc/85/36/87/542853687.db2.gz DZZHOHQRMPFGLL-ZDUSSCGKSA-N -1 3 279.405 3.375 20 0 CGADHM CO[C@@H]1C[C@H](N(C)Cc2cccc([O-])c2Cl)C12CCC2 ZINC000449636422 393930590 /nfs/dbraw/zinc/93/05/90/393930590.db2.gz WDKYDWIXXZTDTB-UONOGXRCSA-N -1 3 295.810 3.435 20 0 CGADHM CC[C@@H]1C[C@H]1CNC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000452768469 394115446 /nfs/dbraw/zinc/11/54/46/394115446.db2.gz UGPRZCLODJPNIS-BDAKNGLRSA-N -1 3 287.281 3.187 20 0 CGADHM CCCCN(C(=O)Cc1cncc([O-])c1)C1CCCCC1 ZINC000667493973 542877376 /nfs/dbraw/zinc/87/73/76/542877376.db2.gz JOQSUBFQSLPJFV-UHFFFAOYSA-N -1 3 290.407 3.291 20 0 CGADHM CCC1CN(Cc2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000453617277 394259484 /nfs/dbraw/zinc/25/94/84/394259484.db2.gz RIBBSDNZDGXYNV-UHFFFAOYSA-N -1 3 259.271 3.253 20 0 CGADHM CC[C@]1(C(C)C)C[C@H]1NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000457263015 394338711 /nfs/dbraw/zinc/33/87/11/394338711.db2.gz DNUJSXJSJWIJRH-SJLPKXTDSA-N -1 3 298.386 3.083 20 0 CGADHM Cc1ccc(CCNC(=O)c2cc([O-])ccc2Cl)cc1 ZINC000562837439 397712309 /nfs/dbraw/zinc/71/23/09/397712309.db2.gz HJJWGSPJYIZRRM-UHFFFAOYSA-N -1 3 289.762 3.327 20 0 CGADHM C[C@@H](C(=O)[O-])C1(NCc2csc(Cl)c2Cl)CC1 ZINC000649509785 397715936 /nfs/dbraw/zinc/71/59/36/397715936.db2.gz HAZGPDQWZWIQBX-LURJTMIESA-N -1 3 294.203 3.398 20 0 CGADHM C[C@@H]1CC[C@H](C(=O)[O-])N1Cc1ccc(Cl)c(Cl)c1 ZINC000650503266 397859685 /nfs/dbraw/zinc/85/96/85/397859685.db2.gz VTOQRPHUJFSEHF-PRHODGIISA-N -1 3 288.174 3.431 20 0 CGADHM Cc1cc([N-]C(=O)[C@H](C)N2CC(C)(C)c3ccccc32)on1 ZINC000677895489 543471940 /nfs/dbraw/zinc/47/19/40/543471940.db2.gz JPUNKDTWOAACPZ-LBPRGKRZSA-N -1 3 299.374 3.108 20 0 CGADHM CSc1cc(NC(=O)c2cc(C)ccc2[O-])ccn1 ZINC000678029536 543476696 /nfs/dbraw/zinc/47/66/96/543476696.db2.gz BTCGZLVKIDBHFX-UHFFFAOYSA-N -1 3 274.345 3.070 20 0 CGADHM Cc1ccc([O-])c(CN2CCOc3ccccc3[C@@H]2C)n1 ZINC000678197113 543493372 /nfs/dbraw/zinc/49/33/72/543493372.db2.gz RMSGIFCIMJVVSP-ZDUSSCGKSA-N -1 3 284.359 3.051 20 0 CGADHM CC[C@H](NC(=O)c1ccc(OC)cc1[O-])c1cccs1 ZINC000048443720 286905385 /nfs/dbraw/zinc/90/53/85/286905385.db2.gz IGRVQJJPBFGARW-LBPRGKRZSA-N -1 3 291.372 3.343 20 0 CGADHM CC[C@@H](C)C[C@H](C)NC(=O)NCc1ccc([O-])c(F)c1 ZINC000074374425 287012301 /nfs/dbraw/zinc/01/23/01/287012301.db2.gz GGMWFKCXZFCJNZ-MNOVXSKESA-N -1 3 282.359 3.155 20 0 CGADHM Cc1ccc2[nH]cc(CCC(=O)Nc3ncccc3[O-])c2c1 ZINC000074823647 287018429 /nfs/dbraw/zinc/01/84/29/287018429.db2.gz XIKLFXMUHLIUCJ-UHFFFAOYSA-N -1 3 295.342 3.148 20 0 CGADHM COc1cccc(C(=O)Nc2ccc3oc(C)nc3c2)c1[O-] ZINC000078625803 287050402 /nfs/dbraw/zinc/05/04/02/287050402.db2.gz FJGDFOCWZHWCBW-UHFFFAOYSA-N -1 3 298.298 3.103 20 0 CGADHM Cc1cc([N-]C(=O)c2oc(-c3ccccc3)nc2C)no1 ZINC000081234459 287071543 /nfs/dbraw/zinc/07/15/43/287071543.db2.gz JNAJOIPJTUKXCD-UHFFFAOYSA-N -1 3 283.287 3.199 20 0 CGADHM COc1ccc(CN2CCC[C@](C)(C(=O)[O-])C2)cc1Cl ZINC000086783851 287084134 /nfs/dbraw/zinc/08/41/34/287084134.db2.gz UQTPUUKLKKAELI-HNNXBMFYSA-N -1 3 297.782 3.035 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])c1ccc2[nH]cnc2c1 ZINC000067145497 165039250 /nfs/dbraw/zinc/03/92/50/165039250.db2.gz YSOIRSLQGYDCIQ-UHFFFAOYSA-N -1 3 287.706 3.174 20 0 CGADHM O=C(Nc1cccc(-c2ncc[nH]2)c1)c1cccc([O-])c1 ZINC000082282707 165167232 /nfs/dbraw/zinc/16/72/32/165167232.db2.gz HYISANVSSJLODJ-UHFFFAOYSA-N -1 3 279.299 3.035 20 0 CGADHM CC(C)(NC(=O)c1cccc([O-])c1)c1ccccc1F ZINC000082265503 165168381 /nfs/dbraw/zinc/16/83/81/165168381.db2.gz DAPZXZINJBFQQJ-UHFFFAOYSA-N -1 3 273.307 3.196 20 0 CGADHM Cc1cccc(C(=O)N2CCC[C@H]3CCC[C@H]32)c1[O-] ZINC000087777664 165190021 /nfs/dbraw/zinc/19/00/21/165190021.db2.gz ZBMYYCWDYDTSSE-TZMCWYRMSA-N -1 3 259.349 3.105 20 0 CGADHM Cc1cccc(C(=O)N(C)CCc2cccs2)c1[O-] ZINC000091437694 165265541 /nfs/dbraw/zinc/26/55/41/165265541.db2.gz QTFNQIOHCWWOSQ-UHFFFAOYSA-N -1 3 275.373 3.077 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2c(C)nn(CC)c2C)c1 ZINC000091684388 165269104 /nfs/dbraw/zinc/26/91/04/165269104.db2.gz SZOUBOXRHRXJSW-UHFFFAOYSA-N -1 3 287.363 3.040 20 0 CGADHM Cc1ccc([O-])c(CNc2cccc3cccnc32)n1 ZINC000091993463 165276388 /nfs/dbraw/zinc/27/63/88/165276388.db2.gz ANFORAUBUCCSQJ-UHFFFAOYSA-N -1 3 265.316 3.256 20 0 CGADHM COc1cc(C)ccc1NCc1nc(C)ccc1[O-] ZINC000091994776 165279057 /nfs/dbraw/zinc/27/90/57/165279057.db2.gz DSRGAELCOWYVMY-UHFFFAOYSA-N -1 3 258.321 3.025 20 0 CGADHM Cc1ccc([O-])c(CNc2ccccc2N2CCCC2)n1 ZINC000091993844 165280366 /nfs/dbraw/zinc/28/03/66/165280366.db2.gz DTOCIIZQVKMCPF-UHFFFAOYSA-N -1 3 283.375 3.308 20 0 CGADHM O=C(Nc1ccccc1[O-])c1ncccc1C(F)(F)F ZINC000092311440 287111159 /nfs/dbraw/zinc/11/11/59/287111159.db2.gz FRADHEQNJOUDHE-UHFFFAOYSA-N -1 3 282.221 3.058 20 0 CGADHM COc1cccc(C(=O)Nc2cc(Cl)ccc2[O-])c1O ZINC000109091653 287127961 /nfs/dbraw/zinc/12/79/61/287127961.db2.gz YPKYUOUDUZQCPS-UHFFFAOYSA-N -1 3 293.706 3.012 20 0 CGADHM Cc1cccc(C(=O)N2CCc3cccc(F)c3C2)c1[O-] ZINC000120906129 287189288 /nfs/dbraw/zinc/18/92/88/287189288.db2.gz OUGKRNLFMDASRZ-UHFFFAOYSA-N -1 3 285.318 3.038 20 0 CGADHM Cc1ccc(NC(=O)c2ccc(Cl)nc2)c([O-])c1 ZINC000008378832 170333673 /nfs/dbraw/zinc/33/36/73/170333673.db2.gz ABMQRSUMEFPZBJ-UHFFFAOYSA-N -1 3 262.696 3.001 20 0 CGADHM CC(C)(C)[C@@H]1CCCC[C@H]1[N-]C(=O)C(F)(F)F ZINC000020466292 171209370 /nfs/dbraw/zinc/20/93/70/171209370.db2.gz KRDZLMYVWWRNHU-RKDXNWHRSA-N -1 3 251.292 3.270 20 0 CGADHM Cc1ccc([O-])c(C(=O)N(C)C2CCCCCC2)c1 ZINC000035175537 172028544 /nfs/dbraw/zinc/02/85/44/172028544.db2.gz RKDTVMHQIIPEJE-UHFFFAOYSA-N -1 3 261.365 3.495 20 0 CGADHM O=C([O-])C[C@H]1CCCCN1Cc1ccccc1OC(F)F ZINC000038027362 174013021 /nfs/dbraw/zinc/01/30/21/174013021.db2.gz GGBSJVDJCLGLSE-GFCCVEGCSA-N -1 3 299.317 3.117 20 0 CGADHM Cc1ccc(C(=O)Nc2cccc(CN(C)C)c2)c([O-])c1 ZINC000127612963 287292480 /nfs/dbraw/zinc/29/24/80/287292480.db2.gz VZULLXTYMBIREE-UHFFFAOYSA-N -1 3 284.359 3.015 20 0 CGADHM O=C(/C=C/c1ccccc1)Nc1cccc([O-])c1F ZINC000128274329 287307626 /nfs/dbraw/zinc/30/76/26/287307626.db2.gz KFXMNGYEDUDEGB-MDZDMXLPSA-N -1 3 257.264 3.183 20 0 CGADHM O=C(Nc1cccc([O-])c1F)c1ccccc1Cl ZINC000128456539 287311512 /nfs/dbraw/zinc/31/15/12/287311512.db2.gz DZHAVPOCCMVGAY-UHFFFAOYSA-N -1 3 265.671 3.437 20 0 CGADHM Cc1csc2[n-]c(CO[C@H]3CCCC[C@H]3C)nc(=O)c12 ZINC000070694418 176001850 /nfs/dbraw/zinc/00/18/50/176001850.db2.gz MYOWKBGCWIAVTK-KOLCDFICSA-N -1 3 292.404 3.388 20 0 CGADHM Cc1cccc(CC(=O)Nc2cccc([O-])c2F)c1 ZINC000129127272 287324949 /nfs/dbraw/zinc/32/49/49/287324949.db2.gz XEFSOKDILABOFO-UHFFFAOYSA-N -1 3 259.280 3.021 20 0 CGADHM CCCOCc1nc(=O)c2c3c(sc2[n-]1)C[C@@H](C)CC3 ZINC000049068457 416464436 /nfs/dbraw/zinc/46/44/36/416464436.db2.gz XFAIDUBIXUDKNH-VIFPVBQESA-N -1 3 292.404 3.036 20 0 CGADHM O=C([O-])C[C@@H]1CCCCN1Cc1sccc1Cl ZINC000304539788 416527058 /nfs/dbraw/zinc/52/70/58/416527058.db2.gz KIOLBYIYNGDEBO-VIFPVBQESA-N -1 3 273.785 3.231 20 0 CGADHM CC(C)N(CCC(=O)[O-])Cc1sccc1Cl ZINC000309291319 416529621 /nfs/dbraw/zinc/52/96/21/416529621.db2.gz OSOYXVBPQZWJTD-UHFFFAOYSA-N -1 3 261.774 3.087 20 0 CGADHM O=C([O-])c1ccc(CN2CCC3(CC3(F)F)CC2)cc1 ZINC000405083726 416559657 /nfs/dbraw/zinc/55/96/57/416559657.db2.gz IDHRCHUDQLOLCV-UHFFFAOYSA-N -1 3 281.302 3.006 20 0 CGADHM Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc([O-])c(C)c1)CC2 ZINC000679409182 543636283 /nfs/dbraw/zinc/63/62/83/543636283.db2.gz LTQGKWFGOZXMDD-INIZCTEOSA-N -1 3 281.355 3.426 20 0 CGADHM CC(C)n1cc(NC(=O)c2ccc3c(c2[O-])CCCC3)cn1 ZINC000680431780 543710984 /nfs/dbraw/zinc/71/09/84/543710984.db2.gz YCELDDYOTNWYGA-UHFFFAOYSA-N -1 3 299.374 3.301 20 0 CGADHM Cc1cccc2c(=O)c(C(=O)N(C)[C@@H](C)C3(C)CC3)c[n-]c12 ZINC000681526850 543793429 /nfs/dbraw/zinc/79/34/29/543793429.db2.gz BYBYWDIWSFZHOK-LBPRGKRZSA-N -1 3 298.386 3.097 20 0 CGADHM C[C@H]1CCN(C(=O)CCCc2ccc([O-])c(F)c2)C[C@@H]1F ZINC000682527467 543850864 /nfs/dbraw/zinc/85/08/64/543850864.db2.gz BYKPIJBAILBPNM-FZMZJTMJSA-N -1 3 297.345 3.061 20 0 CGADHM [O-]c1ccc(-c2noc([C@H]3Cc4ccc(F)cc43)n2)cc1 ZINC000684609769 544018947 /nfs/dbraw/zinc/01/89/47/544018947.db2.gz ZSDUXDHDELYOJW-AWEZNQCLSA-N -1 3 282.274 3.269 20 0 CGADHM CC[C@H](C)CCCCC(=O)NCc1ncccc1[O-] ZINC000684350123 543983603 /nfs/dbraw/zinc/98/36/03/543983603.db2.gz MWQDQUIAVDGRLT-LBPRGKRZSA-N -1 3 264.369 3.010 20 0 CGADHM O=C(CCC(F)F)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000684491133 544008220 /nfs/dbraw/zinc/00/82/20/544008220.db2.gz WAGPXBCMFRZVBY-UHFFFAOYSA-N -1 3 299.195 3.275 20 0 CGADHM CC[C@@H]1c2ccsc2CCN1Cc1ncccc1[O-] ZINC000685410669 544066342 /nfs/dbraw/zinc/06/63/42/544066342.db2.gz KGRCJTQMJKQLEG-CYBMUJFWSA-N -1 3 274.389 3.358 20 0 CGADHM CCc1noc(C)c1[N-]C(=O)c1ccc(F)cc1F ZINC000132632988 287407950 /nfs/dbraw/zinc/40/79/50/287407950.db2.gz GOHVSAGDOHHLIP-UHFFFAOYSA-N -1 3 266.247 3.076 20 0 CGADHM COCCC1(CNC(=O)c2cccc(C)c2[O-])CCCC1 ZINC000132984802 287414657 /nfs/dbraw/zinc/41/46/57/287414657.db2.gz OYNMGEZKFVYBFH-UHFFFAOYSA-N -1 3 291.391 3.027 20 0 CGADHM Cc1ccc(CN(C)C(=O)c2cc([O-])ccc2Cl)nc1 ZINC000685832222 544098889 /nfs/dbraw/zinc/09/88/89/544098889.db2.gz SRPJRUNMHCUAPG-UHFFFAOYSA-N -1 3 290.750 3.021 20 0 CGADHM Cc1cc(C(=O)N2CC=C(c3ccccc3F)C2)ccc1[O-] ZINC000355033698 227329891 /nfs/dbraw/zinc/32/98/91/227329891.db2.gz XHNAHZBSWGNBBF-UHFFFAOYSA-N -1 3 297.329 3.379 20 0 CGADHM CN(CCC(C)(C)C)[C@@H](C(=O)[O-])c1ccccc1F ZINC000652417026 418965287 /nfs/dbraw/zinc/96/52/87/418965287.db2.gz SGRJMOVIKZXQLM-CYBMUJFWSA-N -1 3 267.344 3.319 20 0 CGADHM Cc1ccc(CCN2Cc3ccccc3[C@@H](C(=O)[O-])C2)cc1 ZINC000652470537 418973105 /nfs/dbraw/zinc/97/31/05/418973105.db2.gz ZRHHUWVNUBOUEH-SFHVURJKSA-N -1 3 295.382 3.222 20 0 CGADHM CC(C)c1nnc([N-][C@H](c2ccccc2)[C@H](O)C(C)C)o1 ZINC000664529616 418973462 /nfs/dbraw/zinc/97/34/62/418973462.db2.gz CLNVBTUPEZHHCR-ZIAGYGMSSA-N -1 3 289.379 3.363 20 0 CGADHM CCc1oc(C(=O)[O-])cc1CN1[C@@H](C)CCC[C@@H]1C ZINC000652367124 418958449 /nfs/dbraw/zinc/95/84/49/418958449.db2.gz PFAGBFIRDWASTR-QWRGUYRKSA-N -1 3 265.353 3.303 20 0 CGADHM CSc1cccnc1[N-]C(=O)c1ccn(C(C)(C)C)n1 ZINC000655163575 419026985 /nfs/dbraw/zinc/02/69/85/419026985.db2.gz AHSIWMXHIYHJHD-UHFFFAOYSA-N -1 3 290.392 3.007 20 0 CGADHM COc1cccc(CN([C@@H](C)C(=O)[O-])C2CCC2)c1Cl ZINC000659795242 418992783 /nfs/dbraw/zinc/99/27/83/418992783.db2.gz WSIRZRXQRJQFKE-JTQLQIEISA-N -1 3 297.782 3.176 20 0 CGADHM CC[C@@H]1CCC[C@H](C)N1Cc1cc(C(=O)[O-])co1 ZINC000659804056 418995938 /nfs/dbraw/zinc/99/59/38/418995938.db2.gz RHPIPRFEUVMHKT-CMPLNLGQSA-N -1 3 251.326 3.131 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@H]1CC[C@H](C)CC1 ZINC000653035883 419012790 /nfs/dbraw/zinc/01/27/90/419012790.db2.gz DZNRKNMDGLCXEZ-UMSPYCQHSA-N -1 3 263.385 3.028 20 0 CGADHM CCc1cc(=O)[n-]c(CN[C@H](CC)c2ccccc2F)n1 ZINC000653791589 419086730 /nfs/dbraw/zinc/08/67/30/419086730.db2.gz CUMMEYMPKOTJRL-CQSZACIVSA-N -1 3 289.354 3.125 20 0 CGADHM CCCN(CC1CC1)C(=O)c1cc(SC)ccc1[O-] ZINC000665180079 419073340 /nfs/dbraw/zinc/07/33/40/419073340.db2.gz CMXAUDKAFZFORF-UHFFFAOYSA-N -1 3 279.405 3.376 20 0 CGADHM CC(C)(C)n1ccc(-c2nc(-c3ccc([O-])cc3)no2)n1 ZINC000655999430 419131612 /nfs/dbraw/zinc/13/16/12/419131612.db2.gz GGIYLVGGRFOLQT-UHFFFAOYSA-N -1 3 284.319 3.061 20 0 CGADHM Cc1cc(C)c2[n-]cc(C(=O)N3CC[C@H]3C(C)C)c(=O)c2c1 ZINC000665545659 419135913 /nfs/dbraw/zinc/13/59/13/419135913.db2.gz XTYNZHRMDIWZAK-HNNXBMFYSA-N -1 3 298.386 3.015 20 0 CGADHM CCOc1ccc(CN[C@@H](C(=O)[O-])c2ccccc2)c(C)c1 ZINC000656565833 419182920 /nfs/dbraw/zinc/18/29/20/419182920.db2.gz VOWORTOFQCGHPG-QGZVFWFLSA-N -1 3 299.370 3.309 20 0 CGADHM O=C([O-])[C@H]1C=C[C@@H](NCc2cccc(C3CCCC3)c2)C1 ZINC000656566958 419184289 /nfs/dbraw/zinc/18/42/89/419184289.db2.gz XTFZLNNOGQIBMR-DLBZAZTESA-N -1 3 285.387 3.463 20 0 CGADHM COc1cccc(C=Cc2cc(=O)[n-]c(C3CC3)n2)c1F ZINC000666087376 419189015 /nfs/dbraw/zinc/18/90/15/419189015.db2.gz LKPLUXHXKBCALH-BQYQJAHWSA-N -1 3 286.306 3.378 20 0 CGADHM O=S(=O)([N-][C@H]1CCCC12CCCCC2)c1ccco1 ZINC000657039918 419226765 /nfs/dbraw/zinc/22/67/65/419226765.db2.gz IPHJEWJNRBVXHQ-LBPRGKRZSA-N -1 3 283.393 3.061 20 0 CGADHM CCn1c(=O)[n-]nc1SCC[C@@H]1CCc2ccccc21 ZINC000657233757 419234710 /nfs/dbraw/zinc/23/47/10/419234710.db2.gz CSWMKFSQWGMFCV-LBPRGKRZSA-N -1 3 289.404 3.216 20 0 CGADHM CC(C)(F)CCNCc1cccc([O-])c1Br ZINC000657645617 419317901 /nfs/dbraw/zinc/31/79/01/419317901.db2.gz BXVPUOOXYZUIKQ-UHFFFAOYSA-N -1 3 290.176 3.383 20 0 CGADHM [O-]c1cccc(CNC[C@@H]2CC23CC3)c1Br ZINC000418090140 228025850 /nfs/dbraw/zinc/02/58/50/228025850.db2.gz DHOLERGTTSVMCQ-JTQLQIEISA-N -1 3 282.181 3.044 20 0 CGADHM Cc1ccc([O-])c(CNCC(F)(F)c2ccccc2C)n1 ZINC000657769436 419342481 /nfs/dbraw/zinc/34/24/81/419342481.db2.gz DFYTUYMDZOWHSB-UHFFFAOYSA-N -1 3 292.329 3.286 20 0 CGADHM CCN(Cc1c(Cl)ccc2cccnc21)[C@@H](C)C(=O)[O-] ZINC000662214167 419364964 /nfs/dbraw/zinc/36/49/64/419364964.db2.gz CWTIMEHDRCNRFY-JTQLQIEISA-N -1 3 292.766 3.183 20 0 CGADHM C[C@@H](O)[C@@H](NCc1cccc([O-])c1Cl)c1ccccc1 ZINC000657815971 419365177 /nfs/dbraw/zinc/36/51/77/419365177.db2.gz IXBPEFZJOKHWJG-BDJLRTHQSA-N -1 3 291.778 3.257 20 0 CGADHM CCSCc1cc(C(=O)[N-]c2cc(F)ccc2F)no1 ZINC000184618528 287548225 /nfs/dbraw/zinc/54/82/25/287548225.db2.gz FUYIZFQNRSYMHY-UHFFFAOYSA-N -1 3 298.314 3.458 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CCCC[C@@H](C)C2)c1 ZINC000186437179 287558122 /nfs/dbraw/zinc/55/81/22/287558122.db2.gz WPIZCQZCQWQXOW-GFCCVEGCSA-N -1 3 261.365 3.217 20 0 CGADHM Cc1cc(C(=O)N2c3ccccc3C[C@@H]2C)ccc1[O-] ZINC000226953393 287636423 /nfs/dbraw/zinc/63/64/23/287636423.db2.gz LXGPUGQJOVNBMY-LBPRGKRZSA-N -1 3 267.328 3.292 20 0 CGADHM C[C@H](NC(=O)/C=C/c1cncc([O-])c1)[C@@H](C)c1ccccc1 ZINC000179533878 260054065 /nfs/dbraw/zinc/05/40/65/260054065.db2.gz NXLYCRIRLDRBAP-VRZZLATASA-N -1 3 296.370 3.109 20 0 CGADHM C[C@H]1CCC[C@@H]1CC(=O)Nc1cc(F)ccc1[O-] ZINC000187718382 260164065 /nfs/dbraw/zinc/16/40/65/260164065.db2.gz AGDQVVAFDJGRFJ-VHSXEESVSA-N -1 3 251.301 3.296 20 0 CGADHM O=C(c1cc([O-])ccc1Cl)N1CC2(CCC2)[C@@H]1C1CC1 ZINC000291099060 263120121 /nfs/dbraw/zinc/12/01/21/263120121.db2.gz LNFQXHYGSWBSJN-AWEZNQCLSA-N -1 3 291.778 3.450 20 0 CGADHM CCc1ccc(-c2nc(-c3ccccn3)no2)c([O-])c1 ZINC000189141806 264272779 /nfs/dbraw/zinc/27/27/79/264272779.db2.gz KEOUAOVACUALIQ-UHFFFAOYSA-N -1 3 267.288 3.067 20 0 CGADHM O=C(CC1CC1)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000033495025 270027154 /nfs/dbraw/zinc/02/71/54/270027154.db2.gz YYRDUSOJRACWKC-UHFFFAOYSA-N -1 3 259.227 3.150 20 0 CGADHM CCN(Cc1cccs1)C(=O)c1cccc(C)c1[O-] ZINC000042273552 270032149 /nfs/dbraw/zinc/03/21/49/270032149.db2.gz IPTJJLWUQWIVFE-UHFFFAOYSA-N -1 3 275.373 3.424 20 0 CGADHM CCOCc1cccc(NC(=O)c2cccc(C)c2[O-])c1 ZINC000102274815 270044899 /nfs/dbraw/zinc/04/48/99/270044899.db2.gz ABYZJMVISIZGPC-UHFFFAOYSA-N -1 3 285.343 3.489 20 0 CGADHM Cc1cnccc1NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000107357345 270049782 /nfs/dbraw/zinc/04/97/82/270049782.db2.gz QGWXQIUVWJKIDM-UHFFFAOYSA-N -1 3 298.342 3.061 20 0 CGADHM Cc1csc2[n-]c(COCc3ccccc3)nc(=O)c12 ZINC000195291717 270084327 /nfs/dbraw/zinc/08/43/27/270084327.db2.gz LUHGTZYCWMMFTK-UHFFFAOYSA-N -1 3 286.356 3.010 20 0 CGADHM Cc1cccc(C(=O)N2C[C@H](C)C[C@@H](C)[C@H]2C)c1[O-] ZINC000229426514 270088393 /nfs/dbraw/zinc/08/83/93/270088393.db2.gz VOUFINHHPCTTEC-RAIGVLPGSA-N -1 3 261.365 3.207 20 0 CGADHM CCc1cccnc1-c1noc(-c2cc(OC)ccc2[O-])n1 ZINC000316793879 270092895 /nfs/dbraw/zinc/09/28/95/270092895.db2.gz LAJCCWRYVVRRKW-UHFFFAOYSA-N -1 3 297.314 3.075 20 0 CGADHM [O-]c1cc2ccccc2cc1-c1nc([C@H]2CCCOC2)no1 ZINC000316536088 270093070 /nfs/dbraw/zinc/09/30/70/270093070.db2.gz ODKNNFWAJNJDJD-ZDUSSCGKSA-N -1 3 296.326 3.489 20 0 CGADHM O=C(NC(C1CCC1)C1CCC1)c1ccccc1[O-] ZINC000325361262 270095008 /nfs/dbraw/zinc/09/50/08/270095008.db2.gz PKBYQEFTONNACP-UHFFFAOYSA-N -1 3 259.349 3.091 20 0 CGADHM COc1ccc([O-])c(C(=O)N[C@@H]2CC[C@H]3CCC[C@H]3C2)c1 ZINC000525258348 270118582 /nfs/dbraw/zinc/11/85/82/270118582.db2.gz WPDUUBXTLSESPG-FRRDWIJNSA-N -1 3 289.375 3.099 20 0 CGADHM CC1CCN(C(=O)c2cc([O-])cc(Br)c2)CC1 ZINC000527651280 270131042 /nfs/dbraw/zinc/13/10/42/270131042.db2.gz VEWYKFQGTVHBMY-UHFFFAOYSA-N -1 3 298.180 3.027 20 0 CGADHM CN(C(=O)c1cc([O-])cc(Br)c1)C1CCCC1 ZINC000527784150 270135964 /nfs/dbraw/zinc/13/59/64/270135964.db2.gz BBZWTPHVWUJOEG-UHFFFAOYSA-N -1 3 298.180 3.169 20 0 CGADHM CC(C)(NCc1ncccc1[O-])c1nc2ccccc2s1 ZINC000528601483 270168748 /nfs/dbraw/zinc/16/87/48/270168748.db2.gz AOMICNSSYCWEIZ-UHFFFAOYSA-N -1 3 299.399 3.422 20 0 CGADHM CC1(C)CCc2cccc(NC([O-])=NOCC3CC3)c2O1 ZINC000529295635 270179756 /nfs/dbraw/zinc/17/97/56/270179756.db2.gz HBRGPUDRCUIDMK-UHFFFAOYSA-N -1 3 290.363 3.253 20 0 CGADHM CC1(C)CCc2cccc(NC(=O)[N-]OCC3CC3)c2O1 ZINC000529295635 270179757 /nfs/dbraw/zinc/17/97/57/270179757.db2.gz HBRGPUDRCUIDMK-UHFFFAOYSA-N -1 3 290.363 3.253 20 0 CGADHM Cc1ccc(CCCN2CCc3occc3[C@H]2C(=O)[O-])cc1 ZINC000530167718 270195543 /nfs/dbraw/zinc/19/55/43/270195543.db2.gz YWMCWZGMBLYRKD-KRWDZBQOSA-N -1 3 299.370 3.205 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)[C@H]2[C@@H]3CCC[C@@H]32)c1-c1ccc(C)cc1 ZINC000530271388 270198259 /nfs/dbraw/zinc/19/82/59/270198259.db2.gz DFSUFTADXTYJMA-FOLVSLTJSA-N -1 3 295.386 3.100 20 0 CGADHM CCC(CC)C(=O)N=c1[nH][n-]c(C)c1-c1ccc(F)cc1 ZINC000530274141 270198280 /nfs/dbraw/zinc/19/82/80/270198280.db2.gz PIXQLVOMDUEWOA-UHFFFAOYSA-N -1 3 289.354 3.321 20 0 CGADHM CC1(C)CCN1C(=O)c1cc([O-])ccc1C(F)(F)F ZINC000530285496 270198442 /nfs/dbraw/zinc/19/84/42/270198442.db2.gz VGJJKHVVXFMCLZ-UHFFFAOYSA-N -1 3 273.254 3.036 20 0 CGADHM CCc1cccc(C(=O)NCc2ccccc2COC)c1[O-] ZINC000531117252 270204314 /nfs/dbraw/zinc/20/43/14/270204314.db2.gz TZYVPEOZGHUAGS-UHFFFAOYSA-N -1 3 299.370 3.031 20 0 CGADHM CCc1cccc(C(=O)N(C)Cc2ccoc2C)c1[O-] ZINC000531431989 270206638 /nfs/dbraw/zinc/20/66/38/270206638.db2.gz IJQYGLJREIDXTF-UHFFFAOYSA-N -1 3 273.332 3.128 20 0 CGADHM Cc1ccc([O-])c(C(=O)NC[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)c1 ZINC000532273747 270214715 /nfs/dbraw/zinc/21/47/15/270214715.db2.gz YCJOBXMAIDRUOK-LESCRADOSA-N -1 3 293.366 3.016 20 0 CGADHM O=c1[n-]c(CN2C3CCC2CC3)nc2c3ccccc3oc21 ZINC000532915888 270219806 /nfs/dbraw/zinc/21/98/06/270219806.db2.gz PNRZKNMHTNGPLC-UHFFFAOYSA-N -1 3 295.342 3.208 20 0 CGADHM C[C@@H]1CC[C@H](C)N1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000123287133 274316431 /nfs/dbraw/zinc/31/64/31/274316431.db2.gz REOCJRLPFWQVJE-PHIMTYICSA-N -1 3 297.358 3.042 20 0 CGADHM Cc1cn(-c2ccccc2)nc1C(=O)Nc1ccccc1[O-] ZINC000184846260 274822956 /nfs/dbraw/zinc/82/29/56/274822956.db2.gz CNGWUWTUGNHUCI-UHFFFAOYSA-N -1 3 293.326 3.139 20 0 CGADHM CC(C)n1cc(C(=O)N2CC[C@@H](C)c3cccc([O-])c32)cn1 ZINC000276174002 275782841 /nfs/dbraw/zinc/78/28/41/275782841.db2.gz FRWHEZMJAICTRX-GFCCVEGCSA-N -1 3 299.374 3.324 20 0 CGADHM O=C(/C=C\c1nc2ccccc2o1)Nc1cc(F)ccc1[O-] ZINC000255160745 287859542 /nfs/dbraw/zinc/85/95/42/287859542.db2.gz UNZYYJNYDXBEIJ-FPLPWBNLSA-N -1 3 298.273 3.324 20 0 CGADHM C[C@@H]1CN(C(=O)/C=C\c2cncc([O-])c2)[C@H]1c1ccccc1 ZINC000255414058 287866214 /nfs/dbraw/zinc/86/62/14/287866214.db2.gz ZKZOFADOVYRLRC-UDORQPHGSA-N -1 3 294.354 3.020 20 0 CGADHM CO[C@H](C)c1cccc(NC(=O)/C=C\c2cncc([O-])c2)c1 ZINC000255718513 287877932 /nfs/dbraw/zinc/87/79/32/287877932.db2.gz VRIRXDYWCLDWKK-ZHRWSRJISA-N -1 3 298.342 3.147 20 0 CGADHM CCc1c(C)sc2[n-]c(-c3cncs3)nc(=O)c12 ZINC000362892349 276682997 /nfs/dbraw/zinc/68/29/97/276682997.db2.gz GOCNUXWADCICSM-UHFFFAOYSA-N -1 3 277.374 3.391 20 0 CGADHM CC(C)(C)[C@H]1CCN(C(=O)c2c[n-]c3ccccc3c2=O)C1 ZINC000334556239 277257779 /nfs/dbraw/zinc/25/77/79/277257779.db2.gz OLDMUMAZDBZOAZ-LBPRGKRZSA-N -1 3 298.386 3.036 20 0 CGADHM CC(C)[C@@]1(C)C[C@H]1NC(=O)c1cc([O-])ccc1Cl ZINC000397126146 288021569 /nfs/dbraw/zinc/02/15/69/288021569.db2.gz QNVBCUCYIUSWJJ-TZMCWYRMSA-N -1 3 267.756 3.210 20 0 CGADHM Cc1ccc([O-])c(C(=O)NC[C@@H](C)CC(F)(F)F)c1 ZINC000397037481 288020795 /nfs/dbraw/zinc/02/07/95/288020795.db2.gz GNFVDKGTGUCVIF-VIFPVBQESA-N -1 3 275.270 3.019 20 0 CGADHM Cc1nc(C)c(C(=O)N2CC[C@H](C)c3cccc([O-])c32)o1 ZINC000186284017 279074008 /nfs/dbraw/zinc/07/40/08/279074008.db2.gz IRBPBJITLWHKMG-VIFPVBQESA-N -1 3 286.331 3.151 20 0 CGADHM C[C@@]12CCN(Cc3cc([O-])cc(F)c3)C[C@@H]1C2(F)F ZINC000292712356 279179252 /nfs/dbraw/zinc/17/92/52/279179252.db2.gz DJIIQAISHPFSCY-QWHCGFSZSA-N -1 3 271.282 3.008 20 0 CGADHM CC(C)C[C@H]1CCCCN1C(=O)c1cccc([O-])c1 ZINC000357412452 279206635 /nfs/dbraw/zinc/20/66/35/279206635.db2.gz RMTIOMYWHKMTSE-CQSZACIVSA-N -1 3 261.365 3.433 20 0 CGADHM Cc1ccccc1-c1cc(=NC(=O)C2=CCCCC2)[nH][n-]1 ZINC000526120221 288150569 /nfs/dbraw/zinc/15/05/69/288150569.db2.gz SSJJOXFSQZTWPE-UHFFFAOYSA-N -1 3 281.359 3.246 20 0 CGADHM CC[C@H](c1ccc(F)cc1F)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000422588439 288155336 /nfs/dbraw/zinc/15/53/36/288155336.db2.gz KSTYQNVHQMNELE-GAJTVXKRSA-N -1 3 283.318 3.068 20 0 CGADHM CCc1cccc(C(=O)NCc2cccc3cc[nH]c32)c1[O-] ZINC000527047019 288156251 /nfs/dbraw/zinc/15/62/51/288156251.db2.gz JVJOPRJIQJVWAE-UHFFFAOYSA-N -1 3 294.354 3.366 20 0 CGADHM COc1cc(C(=O)N[C@H]2CCc3c2cccc3C)ccc1[O-] ZINC000527487322 288172033 /nfs/dbraw/zinc/17/20/33/288172033.db2.gz FIXOZJZIDZWBAT-HNNXBMFYSA-N -1 3 297.354 3.127 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N[C@H](c2ccccn2)C2CCC2)n1 ZINC000528660075 288212151 /nfs/dbraw/zinc/21/21/51/288212151.db2.gz PMWFPPISQFNEMW-LRDDRELGSA-N -1 3 298.390 3.078 20 0 CGADHM CC(C)C1(NC(=O)c2cc([O-])cc(Br)c2)CC1 ZINC000529423956 288245953 /nfs/dbraw/zinc/24/59/53/288245953.db2.gz DUNZKKGDYIXYOB-UHFFFAOYSA-N -1 3 298.180 3.073 20 0 CGADHM CC(C)c1ccccc1S(=O)(=O)[N-][C@H](C)C(F)(F)F ZINC000341667018 280649351 /nfs/dbraw/zinc/64/93/51/280649351.db2.gz RCPLYUBDPMIVGN-SECBINFHSA-N -1 3 295.326 3.039 20 0 CGADHM Cc1ccc(NC(=O)c2ccc(Cl)cn2)c([O-])c1 ZINC000079729903 280911010 /nfs/dbraw/zinc/91/10/10/280911010.db2.gz XSDABYJNIUHRDT-UHFFFAOYSA-N -1 3 262.696 3.001 20 0 CGADHM Cc1ccc([O-])c(CN[C@@H]2CCCc3ccccc32)n1 ZINC000112716217 280920243 /nfs/dbraw/zinc/92/02/43/280920243.db2.gz YZOHAEPWOCMOJY-OAHLLOKOSA-N -1 3 268.360 3.263 20 0 CGADHM C[C@H]1CC(F)(F)CCN1Cc1ccc(C(=O)[O-])cc1 ZINC000530172212 288292174 /nfs/dbraw/zinc/29/21/74/288292174.db2.gz FROZLGHLMHSKDJ-JTQLQIEISA-N -1 3 269.291 3.004 20 0 CGADHM COc1ccc([O-])c(C(=O)N[C@@H](C)[C@H](C)c2ccccc2)c1 ZINC000530847959 288318015 /nfs/dbraw/zinc/31/80/15/288318015.db2.gz UZKMJBXAJMWXIZ-STQMWFEESA-N -1 3 299.370 3.323 20 0 CGADHM CCSCC[C@H](C)NC(=O)c1cccc(CC)c1[O-] ZINC000530957623 288320641 /nfs/dbraw/zinc/32/06/41/288320641.db2.gz QUEOSEIEQSSIBY-NSHDSACASA-N -1 3 281.421 3.216 20 0 CGADHM CCc1cc(C(=O)N(C)[C@H](C)c2ccncc2)ccc1[O-] ZINC000291493960 281375270 /nfs/dbraw/zinc/37/52/70/281375270.db2.gz LWIMIGXHXYVJFV-GFCCVEGCSA-N -1 3 284.359 3.183 20 0 CGADHM CC[C@H]1[C@@H](C)CCN1C(=O)c1cc([O-])ccc1Cl ZINC000347238112 288369946 /nfs/dbraw/zinc/36/99/46/288369946.db2.gz XNSUUQWQUCWORQ-ZANVPECISA-N -1 3 267.756 3.306 20 0 CGADHM CCc1cc(=O)[n-]c(CS[C@@H](C)c2ncc(C)o2)n1 ZINC000537746493 288546039 /nfs/dbraw/zinc/54/60/39/288546039.db2.gz FGGTXYDCBQMKRF-VIFPVBQESA-N -1 3 279.365 3.035 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CCC[C@@H]2c2ccccn2)c1 ZINC000538743514 288587115 /nfs/dbraw/zinc/58/71/15/288587115.db2.gz KCLPIHOHQTZHAM-MRXNPFEDSA-N -1 3 296.370 3.327 20 0 CGADHM CSc1ccc(NC(=O)c2cccc(C)c2[O-])cn1 ZINC000539889455 288637302 /nfs/dbraw/zinc/63/73/02/288637302.db2.gz LFILVPRSUUFGEW-UHFFFAOYSA-N -1 3 274.345 3.070 20 0 CGADHM C[C@@H]1CCN(C(=O)NCc2ccc([O-])c(F)c2)CC1(C)C ZINC000546819021 288940378 /nfs/dbraw/zinc/94/03/78/288940378.db2.gz NBYYGRCUAFLRTA-LLVKDONJSA-N -1 3 294.370 3.109 20 0 CGADHM Cc1ccc([O-])c(CNc2cccc3cc[nH]c32)n1 ZINC000548475144 289007770 /nfs/dbraw/zinc/00/77/70/289007770.db2.gz VVBYYYZPFWICFL-UHFFFAOYSA-N -1 3 253.305 3.189 20 0 CGADHM C[C@@H]1c2cccn2CCN1Cc1c(F)ccc([O-])c1F ZINC000295049046 289092216 /nfs/dbraw/zinc/09/22/16/289092216.db2.gz YZLNCQWTIFLQNF-SNVBAGLBSA-N -1 3 278.302 3.049 20 0 CGADHM Cc1oc(C(C)C)nc1C(=O)[N-]c1nnc(C2CC2)s1 ZINC000552027249 289151240 /nfs/dbraw/zinc/15/12/40/289151240.db2.gz YXUUCWPBXDDHDA-UHFFFAOYSA-N -1 3 292.364 3.088 20 0 CGADHM CC(C)c1cc(C(=O)NCC(C)(C)O)c([O-])c(C(C)C)c1 ZINC000552146592 289168620 /nfs/dbraw/zinc/16/86/20/289168620.db2.gz PMUANVBDFSBEJG-UHFFFAOYSA-N -1 3 293.407 3.140 20 0 CGADHM COc1ccc(C(=O)Nc2c([O-])cccc2Cl)c(F)c1 ZINC000552432618 289188958 /nfs/dbraw/zinc/18/89/58/289188958.db2.gz TUAQAYGDPUQTPU-UHFFFAOYSA-N -1 3 295.697 3.446 20 0 CGADHM COc1cccc(CC(=O)Nc2c([O-])cccc2Cl)c1 ZINC000552779823 289198388 /nfs/dbraw/zinc/19/83/88/289198388.db2.gz HUYANJBMIYOEDO-UHFFFAOYSA-N -1 3 291.734 3.235 20 0 CGADHM O=C(N=c1cc2ccccn2[n-]1)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000553320850 289219252 /nfs/dbraw/zinc/21/92/52/289219252.db2.gz UAIOSTZLLOQWQF-RRFJBIMHSA-N -1 3 297.402 3.301 20 0 CGADHM O=C([N-]c1nnc(C2CC2)s1)c1cc(F)c(F)c(F)c1 ZINC000560325209 289582832 /nfs/dbraw/zinc/58/28/32/289582832.db2.gz IXZIFOMOZVEGBO-UHFFFAOYSA-N -1 3 299.277 3.085 20 0 CGADHM CCc1cccc(C(=O)N[C@@H](C)Cc2cccc(O)c2)c1[O-] ZINC000560640795 289611639 /nfs/dbraw/zinc/61/16/39/289611639.db2.gz UBMPEHVSVODRCA-LBPRGKRZSA-N -1 3 299.370 3.021 20 0 CGADHM C[C@H]1CCCCN1C(=O)c1cc([O-])ccc1Cl ZINC000235573649 290380973 /nfs/dbraw/zinc/38/09/73/290380973.db2.gz MSEPBVUTGYPQKH-VIFPVBQESA-N -1 3 253.729 3.060 20 0 CGADHM C[C@H]1CCC[C@H](C)N1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000264634945 290499848 /nfs/dbraw/zinc/49/98/48/290499848.db2.gz CEUBOTYEOOQCGC-RYUDHWBXSA-N -1 3 284.359 3.344 20 0 CGADHM Cn1cccc1[C@H]1CCCCN1C(=O)c1cccc([O-])c1 ZINC000182544337 294392952 /nfs/dbraw/zinc/39/29/52/294392952.db2.gz DPIBUHXVMSJSLZ-MRXNPFEDSA-N -1 3 284.359 3.098 20 0 CGADHM Cc1cc(C(=O)N2C[C@H](C)C[C@H](C)[C@H]2C)ccc1[O-] ZINC000300421766 301123231 /nfs/dbraw/zinc/12/32/31/301123231.db2.gz HSXUEFCRHWDRLO-NTZNESFSSA-N -1 3 261.365 3.207 20 0 CGADHM Cc1cccc2c(=O)c(C(=O)N3C[C@H](C)CC3(C)C)c[n-]c12 ZINC000332019759 302052574 /nfs/dbraw/zinc/05/25/74/302052574.db2.gz SDCDHEXEXFPQTR-LLVKDONJSA-N -1 3 298.386 3.097 20 0 CGADHM Cc1noc(C2CC2)c1NC(=O)c1cc(C)ccc1[O-] ZINC000152881008 321708292 /nfs/dbraw/zinc/70/82/92/321708292.db2.gz PPZBFDVCAOCYPB-UHFFFAOYSA-N -1 3 272.304 3.127 20 0 CGADHM Cc1noc(C2CC2)c1NC(=O)c1cccc(C)c1[O-] ZINC000152920979 321709625 /nfs/dbraw/zinc/70/96/25/321709625.db2.gz GLSCPBBYSKKXKB-UHFFFAOYSA-N -1 3 272.304 3.127 20 0 CGADHM O=C(Cc1ccc([O-])cc1Cl)N1C[C@H]2CCCC[C@@H]2C1 ZINC000156917516 321787977 /nfs/dbraw/zinc/78/79/77/321787977.db2.gz FSBWFLWWRYBYCQ-CHWSQXEVSA-N -1 3 293.794 3.237 20 0 CGADHM O=C(Nc1ccccc1[O-])C1CCC(F)(F)CC1 ZINC000157798426 321803466 /nfs/dbraw/zinc/80/34/66/321803466.db2.gz PZSAIQYWVGXMQA-UHFFFAOYSA-N -1 3 255.264 3.156 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-]CCCC(C)(C)C)c(F)c1 ZINC000404965812 321971149 /nfs/dbraw/zinc/97/11/49/321971149.db2.gz SANGXHHZGWYZHP-UHFFFAOYSA-N -1 3 287.400 3.239 20 0 CGADHM [O-]c1cccc(CNC2(C3CC3)CC2)c1Br ZINC000563111589 321978069 /nfs/dbraw/zinc/97/80/69/321978069.db2.gz WCFRQWFXQLWLEQ-UHFFFAOYSA-N -1 3 282.181 3.187 20 0 CGADHM CC1=C(C(=O)Nc2c([O-])cccc2Cl)CCC1 ZINC000563398562 321995260 /nfs/dbraw/zinc/99/52/60/321995260.db2.gz OWZZKBOWIRFVNR-UHFFFAOYSA-N -1 3 251.713 3.485 20 0 CGADHM CC(=O)c1cccc(NC(=O)[C@@H]2C[C@@]2(C)C(C)C)c1[O-] ZINC000566281241 322113708 /nfs/dbraw/zinc/11/37/08/322113708.db2.gz PYLBBKLHTPDLBX-LRDDRELGSA-N -1 3 275.348 3.216 20 0 CGADHM Cc1cc(C)c(CN[C@H](CC(=O)[O-])c2ccncc2)c(C)c1 ZINC000566489719 322126691 /nfs/dbraw/zinc/12/66/91/322126691.db2.gz WTKYFXUIRMBSSV-QGZVFWFLSA-N -1 3 298.386 3.312 20 0 CGADHM COc1cc(Cl)ccc1CN1C[C@H](C(=O)[O-])CC[C@@H]1C ZINC000566678015 322134263 /nfs/dbraw/zinc/13/42/63/322134263.db2.gz LWTGGWFIZLLUQB-CMPLNLGQSA-N -1 3 297.782 3.034 20 0 CGADHM CC[C@]1(C(C)C)C[C@H]1NC(=O)c1c[n-]nc1-c1ccccn1 ZINC000567021687 322147046 /nfs/dbraw/zinc/14/70/46/322147046.db2.gz YXSISKWYVXBWEK-RHSMWYFYSA-N -1 3 298.390 3.026 20 0 CGADHM Cc1cccc(C(C)(C)NCc2ncccc2[O-])c1 ZINC000567311844 322158481 /nfs/dbraw/zinc/15/84/81/322158481.db2.gz XEKOJVPQMJHWQU-UHFFFAOYSA-N -1 3 256.349 3.121 20 0 CGADHM C[C@@H]1CCC[C@H](NC(=O)c2c[n-]nc2-c2ccccn2)CC1 ZINC000567552302 322167677 /nfs/dbraw/zinc/16/76/77/322167677.db2.gz WCBLDNIUWZATFV-OLZOCXBDSA-N -1 3 298.390 3.170 20 0 CGADHM C[C@@]1(c2nc(-c3ccc4n[n-]nc4c3)no2)CC=CCC1 ZINC000568009965 322187953 /nfs/dbraw/zinc/18/79/53/322187953.db2.gz WGJZVBCKWYTGEK-OAHLLOKOSA-N -1 3 281.319 3.006 20 0 CGADHM C[C@@H]1CN([C@H](C(=O)[O-])c2cccc(Cl)c2)C[C@@H](C)S1 ZINC000568061999 322191256 /nfs/dbraw/zinc/19/12/56/322191256.db2.gz ZNUJUJNARYWTKO-BREBYQMCSA-N -1 3 299.823 3.292 20 0 CGADHM Cc1ccncc1CN(Cc1ccccc1)C[C@@H](C)C(=O)[O-] ZINC000568281423 322202989 /nfs/dbraw/zinc/20/29/89/322202989.db2.gz KCMQHQWDVCEZFU-OAHLLOKOSA-N -1 3 298.386 3.113 20 0 CGADHM CO[C@]1(C)C[C@@H](N(C)Cc2csc(C(=O)[O-])c2)C1(C)C ZINC000569584177 322251225 /nfs/dbraw/zinc/25/12/25/322251225.db2.gz NIDCQRPGQGEPRA-IUODEOHRSA-N -1 3 297.420 3.082 20 0 CGADHM CC(C)CN(C(=O)c1ccc2n[n-]nc2c1)c1ccccc1 ZINC000569835460 322258337 /nfs/dbraw/zinc/25/83/37/322258337.db2.gz JIOXUZHQCHQWQN-UHFFFAOYSA-N -1 3 294.358 3.261 20 0 CGADHM COc1ccc(Cl)c(CN2CCC[C@@H](C)[C@@H]2C(=O)[O-])c1 ZINC000570400396 322272631 /nfs/dbraw/zinc/27/26/31/322272631.db2.gz WUSWKFFXJPPFHA-QMTHXVAHSA-N -1 3 297.782 3.034 20 0 CGADHM CCc1ccc(C(=O)N(CC)[C@H](C)C(C)C)c([O-])c1 ZINC000570551829 322276123 /nfs/dbraw/zinc/27/61/23/322276123.db2.gz SEAPOAHXQZDFFU-GFCCVEGCSA-N -1 3 263.381 3.461 20 0 CGADHM [O-]c1cccnc1CSc1ccc(C(F)(F)F)cn1 ZINC000571163263 322291687 /nfs/dbraw/zinc/29/16/87/322291687.db2.gz YISNKYXDOJPCMS-UHFFFAOYSA-N -1 3 286.278 3.493 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2ncc(C(C)(C)C)s2)n1 ZINC000571188467 322292583 /nfs/dbraw/zinc/29/25/83/322292583.db2.gz JNLXNJMUUDNKNM-WAYWQWQTSA-N -1 3 275.377 3.415 20 0 CGADHM CC(=O)c1c(C)cc(C)c(CN(C)[C@H](C)CC(=O)[O-])c1C ZINC000571226260 322293437 /nfs/dbraw/zinc/29/34/37/322293437.db2.gz HXJRQVKMFJUXFT-GFCCVEGCSA-N -1 3 291.391 3.109 20 0 CGADHM [O-]c1ccc(CCCc2nc(CCC3CC3)no2)cc1F ZINC000572204589 322324458 /nfs/dbraw/zinc/32/44/58/322324458.db2.gz XSUNVXHMEXHETQ-UHFFFAOYSA-N -1 3 290.338 3.432 20 0 CGADHM O=C([O-])c1ccc(CN2CC[C@@H](Cc3ccccc3)C2)o1 ZINC000572728327 322351726 /nfs/dbraw/zinc/35/17/26/322351726.db2.gz KLVVGQCHJPFVIC-AWEZNQCLSA-N -1 3 285.343 3.042 20 0 CGADHM O=C(N[C@H]1CCCCC12CCCC2)c1cccc2nn[n-]c21 ZINC000572792104 322355521 /nfs/dbraw/zinc/35/55/21/322355521.db2.gz AHEWAYKCJRKVED-AWEZNQCLSA-N -1 3 298.390 3.191 20 0 CGADHM O=C(N[C@H]1CCCCC12CCCC2)c1cccc2[n-]nnc21 ZINC000572792104 322355523 /nfs/dbraw/zinc/35/55/23/322355523.db2.gz AHEWAYKCJRKVED-AWEZNQCLSA-N -1 3 298.390 3.191 20 0 CGADHM O=C(N[C@H]1CCCCC12CCCC2)c1cccc2n[n-]nc21 ZINC000572792104 322355526 /nfs/dbraw/zinc/35/55/26/322355526.db2.gz AHEWAYKCJRKVED-AWEZNQCLSA-N -1 3 298.390 3.191 20 0 CGADHM Cc1ccc2nccc(N3CC[C@H](C)[C@@H](C(=O)[O-])C3)c2c1 ZINC000574205166 322428848 /nfs/dbraw/zinc/42/88/48/322428848.db2.gz VBQQQLCURCZQQZ-JSGCOSHPSA-N -1 3 284.359 3.090 20 0 CGADHM CC(=O)c1cccc(NC(=O)c2cccc3[nH]ccc32)c1[O-] ZINC000574598870 322448335 /nfs/dbraw/zinc/44/83/35/322448335.db2.gz AQNSMKOTGDRHOO-UHFFFAOYSA-N -1 3 294.310 3.328 20 0 CGADHM Cc1cccc(NC2CCN(Cc3ncccc3[O-])CC2)c1 ZINC000575094972 322472936 /nfs/dbraw/zinc/47/29/36/322472936.db2.gz STXQXUXVRCTIBP-UHFFFAOYSA-N -1 3 297.402 3.172 20 0 CGADHM CCN(Cc1cccc(F)c1)[C@H](C)c1nc(C)cc(=O)[n-]1 ZINC000584152724 327050897 /nfs/dbraw/zinc/05/08/97/327050897.db2.gz HHYPZGICBDENBN-GFCCVEGCSA-N -1 3 289.354 3.213 20 0 CGADHM C[C@H](NC(=O)c1cccc([O-])c1)[C@@H]1CC2CCC1CC2 ZINC000394295802 329116558 /nfs/dbraw/zinc/11/65/58/329116558.db2.gz ARBSREOSHVHNBD-ITDKRANNSA-N -1 3 273.376 3.337 20 0 CGADHM C[C@H](c1ccc(C(=O)[O-])o1)N(C)Cc1ccccc1 ZINC000011893386 329301544 /nfs/dbraw/zinc/30/15/44/329301544.db2.gz RMHQVLGNBNVNFH-LLVKDONJSA-N -1 3 259.305 3.171 20 0 CGADHM Cc1ccsc1C(=O)Nc1cc(F)ccc1[O-] ZINC000174880774 335168261 /nfs/dbraw/zinc/16/82/61/335168261.db2.gz NMQOGJIVYDVVQM-UHFFFAOYSA-N -1 3 251.282 3.154 20 0 CGADHM COc1ccccc1CCC(=O)Nc1cc(F)ccc1[O-] ZINC000174876042 335168411 /nfs/dbraw/zinc/16/84/11/335168411.db2.gz GWKNZDYATPVKAW-UHFFFAOYSA-N -1 3 289.306 3.111 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])[C@@H]1C[C@@]12CCc1ccccc12 ZINC000174898645 335168835 /nfs/dbraw/zinc/16/88/35/335168835.db2.gz YUNDOOUCCKIUMR-KBXCAEBGSA-N -1 3 297.329 3.374 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])c1cccc(OC(F)F)c1 ZINC000174897659 335168944 /nfs/dbraw/zinc/16/89/44/335168944.db2.gz JTGWAROMZKXCFW-UHFFFAOYSA-N -1 3 297.232 3.385 20 0 CGADHM C[C@H](NCc1nc(C2CCCCC2)cs1)[C@H](C)C(=O)[O-] ZINC000576643393 335229956 /nfs/dbraw/zinc/22/99/56/335229956.db2.gz UBKPOHLMOVBXMF-QWRGUYRKSA-N -1 3 296.436 3.390 20 0 CGADHM CC(C)(C)CCS(=O)(=O)[N-]c1cncc2ccccc21 ZINC000577252993 335329895 /nfs/dbraw/zinc/32/98/95/335329895.db2.gz LDYMPTOOEUORPP-UHFFFAOYSA-N -1 3 292.404 3.413 20 0 CGADHM O=C(Nc1nc2c(s1)CCCCC2)c1cccc([O-])c1 ZINC000193001833 335332555 /nfs/dbraw/zinc/33/25/55/335332555.db2.gz NZVFTVMLTIFMKB-UHFFFAOYSA-N -1 3 288.372 3.370 20 0 CGADHM C[C@@H]1CN(CCC(C)(C)CC(=O)[O-])Cc2ccccc2O1 ZINC000577389747 335347173 /nfs/dbraw/zinc/34/71/73/335347173.db2.gz PMPWXXFNCFYSDO-CYBMUJFWSA-N -1 3 291.391 3.161 20 0 CGADHM O=C([O-])c1sccc1CN1CCSC2(CCC2)CC1 ZINC000577507927 335362102 /nfs/dbraw/zinc/36/21/02/335362102.db2.gz BXSYEDABJMMDEN-UHFFFAOYSA-N -1 3 297.445 3.308 20 0 CGADHM COc1cc(C)cc(-c2nc(-c3ccc(C)nc3)no2)c1[O-] ZINC000350575853 335515818 /nfs/dbraw/zinc/51/58/18/335515818.db2.gz SSFRYBSQIBVPJY-UHFFFAOYSA-N -1 3 297.314 3.130 20 0 CGADHM COc1cc(-c2noc(-c3ccc(Cl)o3)n2)ccc1[O-] ZINC000350589575 335517163 /nfs/dbraw/zinc/51/71/63/335517163.db2.gz YWNMPVMBZXDHAS-UHFFFAOYSA-N -1 3 292.678 3.364 20 0 CGADHM COc1ccc([O-])c(C(=O)N2C[C@H](C)[C@H]3CCCC[C@H]32)c1 ZINC000180528145 335603351 /nfs/dbraw/zinc/60/33/51/335603351.db2.gz FIVMAAKYUIDLHY-NJZAAPMLSA-N -1 3 289.375 3.052 20 0 CGADHM Cc1ccc(NC(=O)Cc2c(C)cccc2C)c([O-])c1 ZINC000181388058 335759989 /nfs/dbraw/zinc/75/99/89/335759989.db2.gz HREPDGLKTHBDPK-UHFFFAOYSA-N -1 3 269.344 3.499 20 0 CGADHM COc1cccc(CCNCc2cccc([O-])c2Cl)c1 ZINC000380983068 336042478 /nfs/dbraw/zinc/04/24/78/336042478.db2.gz DYPZJJOONFGSNS-UHFFFAOYSA-N -1 3 291.778 3.387 20 0 CGADHM Cc1cc(CN2CCC[C@H](CC(=O)[O-])C2)ccc1Cl ZINC000581416678 336073321 /nfs/dbraw/zinc/07/33/21/336073321.db2.gz KDTVGTMYZNLTGC-GFCCVEGCSA-N -1 3 281.783 3.335 20 0 CGADHM C[C@@H](c1ccccc1)N(C)Cc1occc1C(=O)[O-] ZINC000383883021 336118990 /nfs/dbraw/zinc/11/89/90/336118990.db2.gz WRYYTINASBLQLJ-NSHDSACASA-N -1 3 259.305 3.171 20 0 CGADHM Cc1cc(C(=O)N2Cc3ccccc3[C@@H]2C)ccc1[O-] ZINC000436940641 500952573 /nfs/dbraw/zinc/95/25/73/500952573.db2.gz XEGXVTKTJCSBOK-LBPRGKRZSA-N -1 3 267.328 3.418 20 0 CGADHM Cc1c2ccccc2oc1CNC(=O)c1ccccc1[O-] ZINC000436720187 533977507 /nfs/dbraw/zinc/97/75/07/533977507.db2.gz SASRUEIKONEIEA-UHFFFAOYSA-N -1 3 281.311 3.377 20 0 CGADHM Cc1ccc(C(=O)NC[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)c([O-])c1 ZINC000436609126 534267637 /nfs/dbraw/zinc/26/76/37/534267637.db2.gz VMUVDRIWYFMQBF-JZXOWHBKSA-N -1 3 293.366 3.016 20 0 CGADHM Cc1ccc(C(=O)NC[C@H](C)c2ccc(F)cc2)c([O-])c1 ZINC000436720240 534268533 /nfs/dbraw/zinc/26/85/33/534268533.db2.gz DAEFOONCGHCFMZ-LBPRGKRZSA-N -1 3 287.334 3.373 20 0 CGADHM [O-]c1ccc(-c2noc(CCSc3ccccn3)n2)cc1 ZINC000436529690 534451280 /nfs/dbraw/zinc/45/12/80/534451280.db2.gz BZBXOCZBFRELIC-UHFFFAOYSA-N -1 3 299.355 3.172 20 0 CGADHM [O-]c1ccc(-c2noc(CCOCc3ccccc3)n2)cc1 ZINC000436771285 534452542 /nfs/dbraw/zinc/45/25/42/534452542.db2.gz ZEHLCYCTAWGTEB-UHFFFAOYSA-N -1 3 296.326 3.202 20 0 CGADHM O=C(NC[C@@H]1CCCCC(F)(F)C1)c1ccccc1[O-] ZINC000436802108 534558883 /nfs/dbraw/zinc/55/88/83/534558883.db2.gz GUCXNPWJRCYDIF-LLVKDONJSA-N -1 3 283.318 3.338 20 0 CGADHM CC(C)(C)CCO[N-]C(=O)/C=C\c1nc2ccccc2o1 ZINC000493828773 534589554 /nfs/dbraw/zinc/58/95/54/534589554.db2.gz VUAZINGYXFZACF-HJWRWDBZSA-N -1 3 288.347 3.325 20 0 CGADHM COc1c(F)cc(NC(=O)c2ccc(C)cc2[O-])cc1F ZINC000055946950 521860230 /nfs/dbraw/zinc/86/02/30/521860230.db2.gz PERIQUOJFWGVNT-UHFFFAOYSA-N -1 3 293.269 3.240 20 0 CGADHM C[C@@H](N(C)Cc1ccc(C(=O)[O-])cc1F)C(C)(C)C ZINC000062753569 524983126 /nfs/dbraw/zinc/98/31/26/524983126.db2.gz HRNSPZSCIOHFHP-SNVBAGLBSA-N -1 3 267.344 3.390 20 0 CGADHM C[C@@H]1C[C@@H](C)CN(Cc2cc(C(=O)[O-])ccc2F)C1 ZINC000062749637 525211316 /nfs/dbraw/zinc/21/13/16/525211316.db2.gz OSDGJTQOFVFTQQ-GHMZBOCLSA-N -1 3 265.328 3.002 20 0 CGADHM CC(C)(C)[C@@H]1CCC[C@H]1NC(=O)Cc1ccc([O-])c(F)c1 ZINC000412824522 526664909 /nfs/dbraw/zinc/66/49/09/526664909.db2.gz OGNGRYVWJKDYTN-TZMCWYRMSA-N -1 3 293.382 3.405 20 0 CGADHM O=C(NCc1ccc(F)c(F)c1)c1cc([O-])ccc1Cl ZINC000236617225 526669483 /nfs/dbraw/zinc/66/94/83/526669483.db2.gz WLNZRIYDKDAAIP-UHFFFAOYSA-N -1 3 297.688 3.254 20 0 CGADHM CC(C)(CCCNCc1c(F)cccc1Cl)C(=O)[O-] ZINC000426643253 527015643 /nfs/dbraw/zinc/01/56/43/527015643.db2.gz NSHOGPJBAHNDJJ-UHFFFAOYSA-N -1 3 287.762 3.460 20 0 CGADHM CC(C)(CNC(=O)c1ccccc1[O-])c1cccc(F)c1 ZINC000436816385 527164905 /nfs/dbraw/zinc/16/49/05/527164905.db2.gz SEULYZDDJBGWMZ-UHFFFAOYSA-N -1 3 287.334 3.239 20 0 CGADHM CC(C)(C[N-]S(=O)(=O)c1ccco1)C1=CCCCC1 ZINC000445735121 527177368 /nfs/dbraw/zinc/17/73/68/527177368.db2.gz STFNXOLJELSYQR-UHFFFAOYSA-N -1 3 283.393 3.085 20 0 CGADHM CC(=O)c1ccc(C(=O)N[C@@H](C)CC(C)(C)C)cc1[O-] ZINC000412430300 527260118 /nfs/dbraw/zinc/26/01/18/527260118.db2.gz USXHXSZIXDHTEC-JTQLQIEISA-N -1 3 277.364 3.149 20 0 CGADHM CC(=O)c1ccc(C(=O)Nc2cccc3[nH]ccc32)cc1[O-] ZINC000436636117 527269488 /nfs/dbraw/zinc/26/94/88/527269488.db2.gz PQEICEDVKGGKDK-UHFFFAOYSA-N -1 3 294.310 3.328 20 0 CGADHM CC(=O)c1ccc(NC(=O)c2ccc(C(C)=O)c([O-])c2)cc1 ZINC000436872792 527313879 /nfs/dbraw/zinc/31/38/79/527313879.db2.gz XGMWMLXQAAVTMG-UHFFFAOYSA-N -1 3 297.310 3.050 20 0 CGADHM CC(C)(C)C1=CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000166989607 527621092 /nfs/dbraw/zinc/62/10/92/527621092.db2.gz HNZOGGNNHVEYES-UHFFFAOYSA-N -1 3 259.349 3.211 20 0 CGADHM CC(C)C1CCC(NC(=O)c2ccc(O)cc2[O-])CC1 ZINC000436622020 527644892 /nfs/dbraw/zinc/64/48/92/527644892.db2.gz CLPWSOLTJWTRHA-UHFFFAOYSA-N -1 3 277.364 3.042 20 0 CGADHM CC(C)CCCN(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000426475196 527703042 /nfs/dbraw/zinc/70/30/42/527703042.db2.gz LFHXWCFONMTORL-UHFFFAOYSA-N -1 3 279.409 3.265 20 0 CGADHM CC(C)CCN(C(=O)Cc1ccc([O-])c(F)c1)C1CC1 ZINC000448657740 527708625 /nfs/dbraw/zinc/70/86/25/527708625.db2.gz RLJTVNIBNWSOIG-UHFFFAOYSA-N -1 3 279.355 3.111 20 0 CGADHM CC(C)CCOCCNC(=O)c1ccc(C(C)C)cc1[O-] ZINC000436696875 527758341 /nfs/dbraw/zinc/75/83/41/527758341.db2.gz IFOLYRBCUQGRGA-UHFFFAOYSA-N -1 3 293.407 3.308 20 0 CGADHM CC(C)CNC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436979250 528059410 /nfs/dbraw/zinc/05/94/10/528059410.db2.gz KGMSZUNWILHPEV-UHFFFAOYSA-N -1 3 299.370 3.357 20 0 CGADHM CC(C)c1ccc(C(=O)NCCC2CCOCC2)c([O-])c1 ZINC000436547548 528067726 /nfs/dbraw/zinc/06/77/26/528067726.db2.gz RDIFFNJCUIHFGL-UHFFFAOYSA-N -1 3 291.391 3.062 20 0 CGADHM CC(C)c1ccc(C(=O)NCC(C)(C)C[C@H](C)O)c([O-])c1 ZINC000436578886 528068556 /nfs/dbraw/zinc/06/85/56/528068556.db2.gz YAXGVYHEIAOINE-LBPRGKRZSA-N -1 3 293.407 3.043 20 0 CGADHM CC(C)c1ccc(C(=O)N[C@@H](C)c2cccnc2)c([O-])c1 ZINC000436795235 528075518 /nfs/dbraw/zinc/07/55/18/528075518.db2.gz YQTUDCRYFDABBX-LBPRGKRZSA-N -1 3 284.359 3.402 20 0 CGADHM CC(C)c1ccc(OCCNC(=O)c2ccccc2[O-])cc1 ZINC000436565571 528123637 /nfs/dbraw/zinc/12/36/37/528123637.db2.gz RZGOEDSOPXMCKX-UHFFFAOYSA-N -1 3 299.370 3.324 20 0 CGADHM CC1=C[C@H](C)CN(C(=O)c2cc3c(cc2[O-])CCCC3)C1 ZINC000436997202 528138777 /nfs/dbraw/zinc/13/87/77/528138777.db2.gz FWOYIBKCNRVWND-LBPRGKRZSA-N -1 3 285.387 3.309 20 0 CGADHM CCCCCN(CCCOC)C(=O)c1cc(C)ccc1[O-] ZINC000436917447 528170763 /nfs/dbraw/zinc/17/07/63/528170763.db2.gz ZHYWNUFCMAGYNN-UHFFFAOYSA-N -1 3 293.407 3.370 20 0 CGADHM CCCC[C@@H]1CCC[C@H]1NC(=O)c1cccc(OC)c1[O-] ZINC000303202236 528873792 /nfs/dbraw/zinc/87/37/92/528873792.db2.gz ONMQIPPRECWGAA-TZMCWYRMSA-N -1 3 291.391 3.490 20 0 CGADHM CCCC[C@H](CC)CNC(=O)Cc1ccc([O-])c(F)c1 ZINC000448652254 528910055 /nfs/dbraw/zinc/91/00/55/528910055.db2.gz VBUATTVOCWVJGX-LBPRGKRZSA-N -1 3 281.371 3.406 20 0 CGADHM CCCC[C@H]1CCC[C@@H]1NC(=O)c1cccc(OC)c1[O-] ZINC000303202233 529002371 /nfs/dbraw/zinc/00/23/71/529002371.db2.gz ONMQIPPRECWGAA-JSGCOSHPSA-N -1 3 291.391 3.490 20 0 CGADHM CCS[C@H]1CC[C@@H](N(C)C(=O)c2ccc(C)cc2[O-])C1 ZINC000175393264 529232688 /nfs/dbraw/zinc/23/26/88/529232688.db2.gz ZSXNDIFQDZBXAQ-OLZOCXBDSA-N -1 3 293.432 3.447 20 0 CGADHM CC[C@H](C)c1cc(C(=O)Nc2ccccc2[O-])on1 ZINC000175083499 529273748 /nfs/dbraw/zinc/27/37/48/529273748.db2.gz SEQJUEWZEVGLKW-VIFPVBQESA-N -1 3 260.293 3.146 20 0 CGADHM CC[C@H](C)n1nc(C(=O)Nc2ccccc2[O-])cc1C ZINC000436890688 529287178 /nfs/dbraw/zinc/28/71/78/529287178.db2.gz DCRQJZJJFXCSIL-JTQLQIEISA-N -1 3 273.336 3.120 20 0 CGADHM CC[C@H](C)n1ncc(NC(=O)c2cccc(C)c2[O-])c1C ZINC000436594715 529294067 /nfs/dbraw/zinc/29/40/67/529294067.db2.gz JRLBVCABCSKHBI-NSHDSACASA-N -1 3 287.363 3.429 20 0 CGADHM CCCCCNCc1cccc([O-])c1Br ZINC000314965677 535076196 /nfs/dbraw/zinc/07/61/96/535076196.db2.gz FFFWSHQSIORNSE-UHFFFAOYSA-N -1 3 272.186 3.435 20 0 CGADHM CCc1cccc(C(=O)N2C[C@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)c1[O-] ZINC000517862832 535846574 /nfs/dbraw/zinc/84/65/74/535846574.db2.gz HLQCCBZTWARIGK-DFHZNHDVSA-N -1 3 297.398 3.239 20 0 CGADHM CCc1cc(C(=O)N[C@@H]2c3ccccc3O[C@H]2C)ccc1[O-] ZINC000495180655 536127454 /nfs/dbraw/zinc/12/74/54/536127454.db2.gz ABWKKDTXJUHTMH-GTNSWQLSSA-N -1 3 297.354 3.207 20 0 CGADHM COc1ccc(F)c(NC(=O)c2cc(C)ccc2[O-])c1 ZINC000094820373 536608428 /nfs/dbraw/zinc/60/84/28/536608428.db2.gz POFCAPUVCFEOQB-UHFFFAOYSA-N -1 3 275.279 3.101 20 0 CGADHM CC(C)CO[N-]C(=O)[C@@H](Cc1ccccc1)C(C)C ZINC000750231797 573101853 /nfs/dbraw/zinc/10/18/53/573101853.db2.gz FJPPVYDMNNEQFM-HNNXBMFYSA-N -1 3 263.381 3.205 20 0 CGADHM O=C(Nc1ccc(-c2cc[nH]n2)cc1)c1cc2occc2[n-]1 ZINC000750843567 572329934 /nfs/dbraw/zinc/32/99/34/572329934.db2.gz OOVBYEYNULWUOW-UHFFFAOYSA-N -1 3 292.298 3.403 20 0 CGADHM c1ccc(C2CC(Nc3ccc(-c4nnn[n-]4)cc3)C2)cc1 ZINC000738428563 572375355 /nfs/dbraw/zinc/37/53/55/572375355.db2.gz NZBBRBKJQOCNSS-UHFFFAOYSA-N -1 3 291.358 3.225 20 0 CGADHM c1ccc(C2CC(Nc3ccc(-c4nn[n-]n4)cc3)C2)cc1 ZINC000738428563 572375359 /nfs/dbraw/zinc/37/53/59/572375359.db2.gz NZBBRBKJQOCNSS-UHFFFAOYSA-N -1 3 291.358 3.225 20 0 CGADHM C[C@@H](c1cccc(Cl)c1)N1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000739055671 572401161 /nfs/dbraw/zinc/40/11/61/572401161.db2.gz HPIRIZVMVXBWEI-NWDGAFQWSA-N -1 3 296.798 3.333 20 0 CGADHM CC1(C)[C@@H]2OCC[C@@H]2[C@@H]1OC(=O)c1cc2ccsc2[n-]1 ZINC000739368510 572412407 /nfs/dbraw/zinc/41/24/07/572412407.db2.gz ZLIGRZVILGBAAF-WCQGTBRESA-N -1 3 291.372 3.200 20 0 CGADHM O=C(CCOc1ccccc1)[N-]OC/C=C\c1ccccc1 ZINC000731841358 572429295 /nfs/dbraw/zinc/42/92/95/572429295.db2.gz DBEBDENYTLYQTC-YFHOEESVSA-N -1 3 297.354 3.217 20 0 CGADHM Cc1ccc([C@H](C)NCCC2CCN(C(=O)[O-])CC2)o1 ZINC000740113092 572432017 /nfs/dbraw/zinc/43/20/17/572432017.db2.gz GXRRBJBBHUGYDM-LBPRGKRZSA-N -1 3 280.368 3.019 20 0 CGADHM O=C([O-])N1CCC[C@H](NCc2csc3ccccc23)C1 ZINC000740513668 572443535 /nfs/dbraw/zinc/44/35/35/572443535.db2.gz VOYHMIRUBXCTNA-LBPRGKRZSA-N -1 3 290.388 3.133 20 0 CGADHM CC(C)Cc1ccc(COC(=O)c2cncc([O-])c2)cc1 ZINC000732393590 572461839 /nfs/dbraw/zinc/46/18/39/572461839.db2.gz AXAWHOLFMLTOGE-UHFFFAOYSA-N -1 3 285.343 3.343 20 0 CGADHM C[C@@H](OC(=O)c1cncc([O-])c1)c1ccc(Cl)cc1 ZINC000732394236 572462107 /nfs/dbraw/zinc/46/21/07/572462107.db2.gz IWZIUVBJVMCNBM-SECBINFHSA-N -1 3 277.707 3.359 20 0 CGADHM O=C(O[C@H]1C=CCCC1)c1ccc(Cl)cc1[O-] ZINC000733383245 572562650 /nfs/dbraw/zinc/56/26/50/572562650.db2.gz FPMWCVUBQDMGPC-JTQLQIEISA-N -1 3 252.697 3.311 20 0 CGADHM CC[C@H](OC(=O)c1cncc([O-])c1)c1ccccc1 ZINC000733495344 572582025 /nfs/dbraw/zinc/58/20/25/572582025.db2.gz NXFWRFSGFGKMAK-AWEZNQCLSA-N -1 3 257.289 3.095 20 0 CGADHM C[C@@H](COC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000735124524 572702052 /nfs/dbraw/zinc/70/20/52/572702052.db2.gz OBKZFEIIQYCHQK-LBPRGKRZSA-N -1 3 256.301 3.353 20 0 CGADHM O=C(OCc1ccsc1)c1cc(-c2ccco2)n[n-]1 ZINC000744237439 572726580 /nfs/dbraw/zinc/72/65/80/572726580.db2.gz LTIBURLWJCSPGY-UHFFFAOYSA-N -1 3 274.301 3.088 20 0 CGADHM O=C(OCc1ccsc1)c1cc(-c2ccco2)[n-]n1 ZINC000744237439 572726583 /nfs/dbraw/zinc/72/65/83/572726583.db2.gz LTIBURLWJCSPGY-UHFFFAOYSA-N -1 3 274.301 3.088 20 0 CGADHM CC(C)C[C@@H](C)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000735761678 572740303 /nfs/dbraw/zinc/74/03/03/572740303.db2.gz PNSVFDGZCFPSFQ-SECBINFHSA-N -1 3 279.775 3.367 20 0 CGADHM CC(C)C[C@@H](C)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000735761678 572740307 /nfs/dbraw/zinc/74/03/07/572740307.db2.gz PNSVFDGZCFPSFQ-SECBINFHSA-N -1 3 279.775 3.367 20 0 CGADHM CC1(C)CCN(c2cc(Cl)ccc2-c2nnn[n-]2)CC1 ZINC000736210850 572772378 /nfs/dbraw/zinc/77/23/78/572772378.db2.gz HDTAVVCAQIEEMR-UHFFFAOYSA-N -1 3 291.786 3.147 20 0 CGADHM CC1(C)CCN(c2cc(Cl)ccc2-c2nn[n-]n2)CC1 ZINC000736210850 572772381 /nfs/dbraw/zinc/77/23/81/572772381.db2.gz HDTAVVCAQIEEMR-UHFFFAOYSA-N -1 3 291.786 3.147 20 0 CGADHM C[C@@H](c1ccc(F)cc1)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736199984 572772407 /nfs/dbraw/zinc/77/24/07/572772407.db2.gz QHGKOXJTVWFCFR-NSHDSACASA-N -1 3 297.337 3.203 20 0 CGADHM C[C@@H](c1ccc(F)cc1)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736199984 572772410 /nfs/dbraw/zinc/77/24/10/572772410.db2.gz QHGKOXJTVWFCFR-NSHDSACASA-N -1 3 297.337 3.203 20 0 CGADHM C[C@H]1CCC[C@H]1Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736258847 572777127 /nfs/dbraw/zinc/77/71/27/572777127.db2.gz BRDJULLFOQRPLB-QPUJVOFHSA-N -1 3 277.759 3.121 20 0 CGADHM C[C@H]1CCC[C@H]1Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736258847 572777129 /nfs/dbraw/zinc/77/71/29/572777129.db2.gz BRDJULLFOQRPLB-QPUJVOFHSA-N -1 3 277.759 3.121 20 0 CGADHM C[C@H]1CCC[C@H](CC(=O)Nc2ccccc2-c2nnn[n-]2)C1 ZINC000736254062 572777319 /nfs/dbraw/zinc/77/73/19/572777319.db2.gz XPCLKUWXPVLADL-RYUDHWBXSA-N -1 3 299.378 3.022 20 0 CGADHM C[C@H]1CCC[C@H](CC(=O)Nc2ccccc2-c2nn[n-]n2)C1 ZINC000736254062 572777321 /nfs/dbraw/zinc/77/73/21/572777321.db2.gz XPCLKUWXPVLADL-RYUDHWBXSA-N -1 3 299.378 3.022 20 0 CGADHM C/C=C\CS[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736302897 572780415 /nfs/dbraw/zinc/78/04/15/572780415.db2.gz HYAOTEOWKUKVOV-UMBAGQNISA-N -1 3 260.366 3.237 20 0 CGADHM C/C=C\CS[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736302897 572780418 /nfs/dbraw/zinc/78/04/18/572780418.db2.gz HYAOTEOWKUKVOV-UMBAGQNISA-N -1 3 260.366 3.237 20 0 CGADHM CC(C)(C)c1nc(CNC(C)(C)CCC(=O)[O-])cs1 ZINC000736320006 572781944 /nfs/dbraw/zinc/78/19/44/572781944.db2.gz ULEUXXRMZSAYRE-UHFFFAOYSA-N -1 3 284.425 3.174 20 0 CGADHM CCc1ccc(CCNc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736684051 572804797 /nfs/dbraw/zinc/80/47/97/572804797.db2.gz UNWWQUTYDKAXHN-UHFFFAOYSA-N -1 3 293.374 3.084 20 0 CGADHM CCc1ccc(CCNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736684051 572804802 /nfs/dbraw/zinc/80/48/02/572804802.db2.gz UNWWQUTYDKAXHN-UHFFFAOYSA-N -1 3 293.374 3.084 20 0 CGADHM CC[C@@H](N[C@@H]1CCCN(C(=O)[O-])C1)c1ccc(F)cc1F ZINC000736920068 572825342 /nfs/dbraw/zinc/82/53/42/572825342.db2.gz MLWRLWMASMOLQR-BXUZGUMPSA-N -1 3 298.333 3.148 20 0 CGADHM COCCC1(NC(=O)c2cc([O-])c3ccccc3c2)CCC1 ZINC000357745582 572849807 /nfs/dbraw/zinc/84/98/07/572849807.db2.gz KGNBGKBDEFQFGU-UHFFFAOYSA-N -1 3 299.370 3.234 20 0 CGADHM CC(C)[C@H]1CCC[C@H]([N-]C(=O)C(F)(F)C(F)F)C1 ZINC000749379929 572995312 /nfs/dbraw/zinc/99/53/12/572995312.db2.gz QKUNXZZFPBXSBD-IUCAKERBSA-N -1 3 269.282 3.218 20 0 CGADHM C[C@H]1CC(C)(C)CC[C@@H]1[N-]C(=O)C(F)(F)C(F)F ZINC000749417667 573003000 /nfs/dbraw/zinc/00/30/00/573003000.db2.gz GEBHWDJEWBEKMU-YUMQZZPRSA-N -1 3 269.282 3.218 20 0 CGADHM c1cc(-c2nn[n-]n2)ccc1N[C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000823742966 599056072 /nfs/dbraw/zinc/05/60/72/599056072.db2.gz OMHGFNYNFWOFNW-OSAQELSMSA-N -1 3 283.379 3.247 20 0 CGADHM CC[C@@H](C)C[C@@H](C)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC000820870325 599067932 /nfs/dbraw/zinc/06/79/32/599067932.db2.gz QNJPIMBZGRRWSW-RKDXNWHRSA-N -1 3 294.790 3.152 20 0 CGADHM CC[C@@H](C)C[C@@H](C)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC000820870325 599067935 /nfs/dbraw/zinc/06/79/35/599067935.db2.gz QNJPIMBZGRRWSW-RKDXNWHRSA-N -1 3 294.790 3.152 20 0 CGADHM CC(C)[C@@H](C)SCc1ccc(-c2nnn[n-]2)cc1 ZINC000820020688 599130104 /nfs/dbraw/zinc/13/01/04/599130104.db2.gz JWPYNZYHXMJBEP-SNVBAGLBSA-N -1 3 262.382 3.144 20 0 CGADHM CC(C)[C@@H](C)SCc1ccc(-c2nn[n-]n2)cc1 ZINC000820020688 599130108 /nfs/dbraw/zinc/13/01/08/599130108.db2.gz JWPYNZYHXMJBEP-SNVBAGLBSA-N -1 3 262.382 3.144 20 0 CGADHM COc1ccccc1[C@@H](C)NCc1ccc(C(=O)[O-])cc1 ZINC000087846441 597243835 /nfs/dbraw/zinc/24/38/35/597243835.db2.gz VVLXBLIOYIYWLJ-GFCCVEGCSA-N -1 3 285.343 3.244 20 0 CGADHM O=C([O-])c1ccc(CN[C@H]2CCc3cc(F)ccc32)cc1 ZINC000819676051 597245143 /nfs/dbraw/zinc/24/51/43/597245143.db2.gz FLQHGDYCWBSGSQ-INIZCTEOSA-N -1 3 285.318 3.301 20 0 CGADHM C[C@](NCc1c(Cl)cccc1Cl)(C(=O)[O-])C1CC1 ZINC000827735669 601035352 /nfs/dbraw/zinc/03/53/52/601035352.db2.gz XKHAFINQUMNWJL-CYBMUJFWSA-N -1 3 288.174 3.336 20 0 CGADHM CC[C@@H](C)Sc1cccc(Cl)c1-c1nnn[n-]1 ZINC000820881543 599349196 /nfs/dbraw/zinc/34/91/96/599349196.db2.gz AETLYYJVFHLSMJ-SSDOTTSWSA-N -1 3 268.773 3.411 20 0 CGADHM CC[C@@H](C)Sc1cccc(Cl)c1-c1nn[n-]n1 ZINC000820881543 599349198 /nfs/dbraw/zinc/34/91/98/599349198.db2.gz AETLYYJVFHLSMJ-SSDOTTSWSA-N -1 3 268.773 3.411 20 0 CGADHM Clc1cc(-c2nnn[n-]2)cnc1SC1CCCCC1 ZINC000822567697 599465367 /nfs/dbraw/zinc/46/53/67/599465367.db2.gz FKPZJIPZMITOLD-UHFFFAOYSA-N -1 3 295.799 3.340 20 0 CGADHM Clc1cc(-c2nn[n-]n2)cnc1SC1CCCCC1 ZINC000822567697 599465369 /nfs/dbraw/zinc/46/53/69/599465369.db2.gz FKPZJIPZMITOLD-UHFFFAOYSA-N -1 3 295.799 3.340 20 0 CGADHM CC[C@@H]1CCCN(c2c(Cl)cccc2-c2nnn[n-]2)C1 ZINC000820978413 599470531 /nfs/dbraw/zinc/47/05/31/599470531.db2.gz AYWYWFPBKVIWLZ-SNVBAGLBSA-N -1 3 291.786 3.147 20 0 CGADHM CC[C@@H]1CCCN(c2c(Cl)cccc2-c2nn[n-]n2)C1 ZINC000820978413 599470534 /nfs/dbraw/zinc/47/05/34/599470534.db2.gz AYWYWFPBKVIWLZ-SNVBAGLBSA-N -1 3 291.786 3.147 20 0 CGADHM Fc1ccc(NC/C=C/c2ccccc2)c(-c2nnn[n-]2)c1 ZINC000822779259 599556007 /nfs/dbraw/zinc/55/60/07/599556007.db2.gz SLGWFAUAILZBEH-QPJJXVBHSA-N -1 3 295.321 3.131 20 0 CGADHM Fc1ccc(NC/C=C/c2ccccc2)c(-c2nn[n-]n2)c1 ZINC000822779259 599556008 /nfs/dbraw/zinc/55/60/08/599556008.db2.gz SLGWFAUAILZBEH-QPJJXVBHSA-N -1 3 295.321 3.131 20 0 CGADHM C[C@H](c1ccc(F)c(F)c1)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000405355414 600302031 /nfs/dbraw/zinc/30/20/31/600302031.db2.gz IGSZSCJBMLVANN-PWSUYJOCSA-N -1 3 295.329 3.213 20 0 CGADHM Cc1ccc(CN[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC000074403965 600417072 /nfs/dbraw/zinc/41/70/72/600417072.db2.gz WSHSSDAKWQDCGO-OAHLLOKOSA-N -1 3 273.307 3.050 20 0 CGADHM C/C(=C/CN1CC=C(c2c[nH]c3ccccc32)CC1)C(=O)[O-] ZINC000825735120 601155572 /nfs/dbraw/zinc/15/55/72/601155572.db2.gz NFVJUDVIIBTHPV-MLPAPPSSSA-N -1 3 296.370 3.288 20 0 CGADHM C/C(=C\CN1CC[C@H](C)C[C@H]1c1ccco1)C(=O)[O-] ZINC000825735021 601178683 /nfs/dbraw/zinc/17/86/83/601178683.db2.gz MPWHGJFKHJZKJX-MZGZCWAVSA-N -1 3 263.337 3.084 20 0 CGADHM CC[C@@](C)(CC(=O)[O-])NCc1csc(-c2ccoc2)n1 ZINC000828671544 601557289 /nfs/dbraw/zinc/55/72/89/601557289.db2.gz FIHYWYIDRVZYLX-AWEZNQCLSA-N -1 3 294.376 3.136 20 0 CGADHM CC[C@@](C)(CC(=O)[O-])NCc1coc(-c2ccccc2)n1 ZINC000828664707 601581919 /nfs/dbraw/zinc/58/19/19/601581919.db2.gz GKAKAOXDJPCLRC-INIZCTEOSA-N -1 3 288.347 3.075 20 0 CGADHM Cc1[n-]n(-c2c(F)cc(F)cc2F)c(=O)c1C(C)C ZINC000899361779 620666589 /nfs/dbraw/zinc/66/65/89/620666589.db2.gz CXZJTWNGEBGIEE-LLVKDONJSA-N -1 3 270.254 3.099 20 0 CGADHM C[C@@H](NC(=O)[O-])[C@H]1CCCN(c2ccnc3ccccc32)C1 ZINC000825281142 604057692 /nfs/dbraw/zinc/05/76/92/604057692.db2.gz QSKHFUFWUFZSJI-OLZOCXBDSA-N -1 3 299.374 3.107 20 0 CGADHM C[C@H](NC(=O)[O-])[C@H]1CCCN([C@@H](C)c2ccccc2F)C1 ZINC000825255954 604216906 /nfs/dbraw/zinc/21/69/06/604216906.db2.gz SNXKWHKJRWMCHN-AVGNSLFASA-N -1 3 294.370 3.255 20 0 CGADHM C/C(=C/CN1[C@H](C)Cc2cc(F)ccc2[C@H]1C)C(=O)[O-] ZINC000833384665 604721943 /nfs/dbraw/zinc/72/19/43/604721943.db2.gz SUDGVKIXOLALHO-CIYHXPSUSA-N -1 3 277.339 3.164 20 0 CGADHM CC(C)(C(=O)[O-])[C@H](NCc1cncs1)c1ccccc1 ZINC000833412907 604865800 /nfs/dbraw/zinc/86/58/00/604865800.db2.gz DTCDFUTZXUSEGN-CYBMUJFWSA-N -1 3 290.388 3.085 20 0 CGADHM C[C@H](N[C@H](C(=O)[O-])c1cccnc1)c1ccc(Cl)cc1 ZINC000827717900 604985617 /nfs/dbraw/zinc/98/56/17/604985617.db2.gz MSHOQDUPFVLHDR-HZMBPMFUSA-N -1 3 290.750 3.212 20 0 CGADHM Cc1ccc([C@H](C)N[C@H](C(=O)[O-])c2cccnc2)c(C)c1 ZINC000832921153 604995237 /nfs/dbraw/zinc/99/52/37/604995237.db2.gz NQVAEOMFMADASJ-BBRMVZONSA-N -1 3 284.359 3.175 20 0 CGADHM Cc1ccc([C@H](C)N[C@H](C(=O)[O-])c2cccnc2)cc1C ZINC000832920793 604997677 /nfs/dbraw/zinc/99/76/77/604997677.db2.gz HGLQGNCFXKFRJN-BBRMVZONSA-N -1 3 284.359 3.175 20 0 CGADHM CCc1ccc(CN(Cc2ccc(C(=O)[O-])[nH]2)C2CC2)cc1 ZINC000833669162 605104634 /nfs/dbraw/zinc/10/46/34/605104634.db2.gz AHDYBLTVJKIPRP-UHFFFAOYSA-N -1 3 298.386 3.440 20 0 CGADHM CC(C)[C@@H]1c2ccccc2CCN1Cc1ccc(C(=O)[O-])[nH]1 ZINC000833474542 605109190 /nfs/dbraw/zinc/10/91/90/605109190.db2.gz YNNKHFVUVLDBHQ-QGZVFWFLSA-N -1 3 298.386 3.468 20 0 CGADHM c1cc2cccc(Nc3ccc(-c4nnn[n-]4)cn3)c2s1 ZINC000826517288 607737877 /nfs/dbraw/zinc/73/78/77/607737877.db2.gz XITDHZWQLFCSGT-UHFFFAOYSA-N -1 3 294.343 3.220 20 0 CGADHM c1cc2cccc(Nc3ccc(-c4nn[n-]n4)cn3)c2s1 ZINC000826517288 607737878 /nfs/dbraw/zinc/73/78/78/607737878.db2.gz XITDHZWQLFCSGT-UHFFFAOYSA-N -1 3 294.343 3.220 20 0 CGADHM CC[C@@H]1CC[C@H](C)N1c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825195668 608237257 /nfs/dbraw/zinc/23/72/57/608237257.db2.gz XTBWUXSKUDYNON-VHSXEESVSA-N -1 3 291.786 3.287 20 0 CGADHM CC[C@@H]1CC[C@H](C)N1c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825195668 608237260 /nfs/dbraw/zinc/23/72/60/608237260.db2.gz XTBWUXSKUDYNON-VHSXEESVSA-N -1 3 291.786 3.287 20 0 CGADHM CCc1cnccc1[C@@H](C)N[C@H](C(=O)[O-])c1ccccc1 ZINC000833674847 605270734 /nfs/dbraw/zinc/27/07/34/605270734.db2.gz VASPKRFDNYKLCQ-WBMJQRKESA-N -1 3 284.359 3.121 20 0 CGADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2ccc(Cl)o2)C1 ZINC000833420519 605549143 /nfs/dbraw/zinc/54/91/43/605549143.db2.gz SZEVKPRCWUXJFL-SNVBAGLBSA-N -1 3 285.771 3.256 20 0 CGADHM C[C@@H]1[C@@H](C)CCCN1Cc1cc(C(=O)[O-])ccc1F ZINC000062752923 605834374 /nfs/dbraw/zinc/83/43/74/605834374.db2.gz KQNFLNXQZOJROO-WDEREUQCSA-N -1 3 265.328 3.144 20 0 CGADHM CCCC[C@H](CCC)Nc1ncccc1-c1nnn[n-]1 ZINC000821043060 606402893 /nfs/dbraw/zinc/40/28/93/606402893.db2.gz LKBMJXAWJUMREE-NSHDSACASA-N -1 3 274.372 3.033 20 0 CGADHM CCCC[C@H](CCC)Nc1ncccc1-c1nn[n-]n1 ZINC000821043060 606402894 /nfs/dbraw/zinc/40/28/94/606402894.db2.gz LKBMJXAWJUMREE-NSHDSACASA-N -1 3 274.372 3.033 20 0 CGADHM Cc1cc(C)cc(NCc2ccccc2-c2nnn[n-]2)c1 ZINC000822197720 606642207 /nfs/dbraw/zinc/64/22/07/606642207.db2.gz MNVSOCOLOFJROX-UHFFFAOYSA-N -1 3 279.347 3.096 20 0 CGADHM Cc1cc(C)cc(NCc2ccccc2-c2nn[n-]n2)c1 ZINC000822197720 606642208 /nfs/dbraw/zinc/64/22/08/606642208.db2.gz MNVSOCOLOFJROX-UHFFFAOYSA-N -1 3 279.347 3.096 20 0 CGADHM CC(C)[C@@H]1CCN(c2c(Cl)cccc2-c2nnn[n-]2)C1 ZINC000820046309 606725778 /nfs/dbraw/zinc/72/57/78/606725778.db2.gz RKUDZZMYPGMLPK-SNVBAGLBSA-N -1 3 291.786 3.002 20 0 CGADHM CC(C)[C@@H]1CCN(c2c(Cl)cccc2-c2nn[n-]n2)C1 ZINC000820046309 606725779 /nfs/dbraw/zinc/72/57/79/606725779.db2.gz RKUDZZMYPGMLPK-SNVBAGLBSA-N -1 3 291.786 3.002 20 0 CGADHM Cc1cc(-c2nn[n-]n2)cc(C)c1OC/C(Cl)=C\Cl ZINC000822130558 606839554 /nfs/dbraw/zinc/83/95/54/606839554.db2.gz VYVIDDATOAZTKR-BJMVGYQFSA-N -1 3 299.161 3.181 20 0 CGADHM C[C@@H](SCC1CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820548657 606840493 /nfs/dbraw/zinc/84/04/93/606840493.db2.gz DWDFVGSYGHYRMB-SECBINFHSA-N -1 3 260.366 3.071 20 0 CGADHM C[C@@H](SCC1CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820548657 606840494 /nfs/dbraw/zinc/84/04/94/606840494.db2.gz DWDFVGSYGHYRMB-SECBINFHSA-N -1 3 260.366 3.071 20 0 CGADHM Cc1ccc2ccccc2c1Cn1ccc(-c2nnn[n-]2)c1 ZINC000826294911 607891540 /nfs/dbraw/zinc/89/15/40/607891540.db2.gz IYOFXXBXQMFXNG-UHFFFAOYSA-N -1 3 289.342 3.178 20 0 CGADHM Cc1ccc2ccccc2c1Cn1ccc(-c2nn[n-]n2)c1 ZINC000826294911 607891541 /nfs/dbraw/zinc/89/15/41/607891541.db2.gz IYOFXXBXQMFXNG-UHFFFAOYSA-N -1 3 289.342 3.178 20 0 CGADHM c1nc(CSc2cccc(-c3nnn[n-]3)c2)oc1C1CC1 ZINC000826518033 608023821 /nfs/dbraw/zinc/02/38/21/608023821.db2.gz ZDFCIXINLNXRNO-UHFFFAOYSA-N -1 3 299.359 3.024 20 0 CGADHM c1nc(CSc2cccc(-c3nn[n-]n3)c2)oc1C1CC1 ZINC000826518033 608023822 /nfs/dbraw/zinc/02/38/22/608023822.db2.gz ZDFCIXINLNXRNO-UHFFFAOYSA-N -1 3 299.359 3.024 20 0 CGADHM CC(C)Sc1cccc(Cl)c1-c1nnn[n-]1 ZINC000095200920 608205425 /nfs/dbraw/zinc/20/54/25/608205425.db2.gz LBMGRJLGGFYLKQ-UHFFFAOYSA-N -1 3 254.746 3.021 20 0 CGADHM CC(C)Sc1cccc(Cl)c1-c1nn[n-]n1 ZINC000095200920 608205427 /nfs/dbraw/zinc/20/54/27/608205427.db2.gz LBMGRJLGGFYLKQ-UHFFFAOYSA-N -1 3 254.746 3.021 20 0 CGADHM CCC[C@@H]1C[C@H]1Nc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000825252774 608229902 /nfs/dbraw/zinc/22/99/02/608229902.db2.gz KBMOQDAIICWVDD-QMTHXVAHSA-N -1 3 294.362 3.015 20 0 CGADHM CCC[C@@H]1C[C@H]1Nc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000825252774 608229903 /nfs/dbraw/zinc/22/99/03/608229903.db2.gz KBMOQDAIICWVDD-QMTHXVAHSA-N -1 3 294.362 3.015 20 0 CGADHM Cc1cccc([C@H](C)Nc2cnccc2-c2nnn[n-]2)c1C ZINC000826295873 608784696 /nfs/dbraw/zinc/78/46/96/608784696.db2.gz BLSADDQANFPESZ-LBPRGKRZSA-N -1 3 294.362 3.052 20 0 CGADHM Cc1cccc([C@H](C)Nc2cnccc2-c2nn[n-]n2)c1C ZINC000826295873 608784697 /nfs/dbraw/zinc/78/46/97/608784697.db2.gz BLSADDQANFPESZ-LBPRGKRZSA-N -1 3 294.362 3.052 20 0 CGADHM CCCC(=CC(=O)Nc1ccc(-c2nnn[n-]2)cc1)CCC ZINC000092350859 608881437 /nfs/dbraw/zinc/88/14/37/608881437.db2.gz ICZCXBLOSUPKDT-UHFFFAOYSA-N -1 3 299.378 3.332 20 0 CGADHM CCCC(=CC(=O)Nc1ccc(-c2nn[n-]n2)cc1)CCC ZINC000092350859 608881439 /nfs/dbraw/zinc/88/14/39/608881439.db2.gz ICZCXBLOSUPKDT-UHFFFAOYSA-N -1 3 299.378 3.332 20 0 CGADHM Cc1cccc(N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000826299505 609161362 /nfs/dbraw/zinc/16/13/62/609161362.db2.gz ICKZMQIEMBPRHJ-LBPRGKRZSA-N -1 3 279.347 3.348 20 0 CGADHM Cc1cccc(N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000826299505 609161363 /nfs/dbraw/zinc/16/13/63/609161363.db2.gz ICKZMQIEMBPRHJ-LBPRGKRZSA-N -1 3 279.347 3.348 20 0 CGADHM c1sc2ccccc2c1Nc1ccc(-c2nnn[n-]2)cn1 ZINC000826523344 609436863 /nfs/dbraw/zinc/43/68/63/609436863.db2.gz JNFZWYUAVLBTNG-UHFFFAOYSA-N -1 3 294.343 3.220 20 0 CGADHM c1sc2ccccc2c1Nc1ccc(-c2nn[n-]n2)cn1 ZINC000826523344 609436866 /nfs/dbraw/zinc/43/68/66/609436866.db2.gz JNFZWYUAVLBTNG-UHFFFAOYSA-N -1 3 294.343 3.220 20 0 CGADHM Clc1cscc1CNc1cccc(-c2nnn[n-]2)c1 ZINC000826354277 609475209 /nfs/dbraw/zinc/47/52/09/609475209.db2.gz WLWADRIQIDYJEJ-UHFFFAOYSA-N -1 3 291.767 3.194 20 0 CGADHM Clc1cscc1CNc1cccc(-c2nn[n-]n2)c1 ZINC000826354277 609475211 /nfs/dbraw/zinc/47/52/11/609475211.db2.gz WLWADRIQIDYJEJ-UHFFFAOYSA-N -1 3 291.767 3.194 20 0 CGADHM O=C(CC/C=C/c1ccccc1)[N-]OC/C=C\Cl ZINC000812408661 617801674 /nfs/dbraw/zinc/80/16/74/617801674.db2.gz RQLKAYDOYUBQRU-FODXNIERSA-N -1 3 265.740 3.280 20 0 CGADHM CCc1cnc(CNCCCCC2(C(=O)[O-])CCC2)s1 ZINC000900080706 620756624 /nfs/dbraw/zinc/75/66/24/620756624.db2.gz JNMWGLKCLYBBRC-UHFFFAOYSA-N -1 3 296.436 3.220 20 0 CGADHM CC(C)[S@](C)(=O)=NC(=O)c1cc([O-])c2ccccc2c1 ZINC000926058960 617957311 /nfs/dbraw/zinc/95/73/11/617957311.db2.gz WSLOCGCFMJNIEV-FQEVSTJZSA-N -1 3 291.372 3.192 20 0 CGADHM Cc1ccc(C(=O)Nc2ccc(O)c(C)c2)c([O-])c1C ZINC000160670270 618120666 /nfs/dbraw/zinc/12/06/66/618120666.db2.gz CBYUJCALPNDRBJ-UHFFFAOYSA-N -1 3 271.316 3.275 20 0 CGADHM [O-]c1ccc(CN2CCOC3(CCCCC3)C2)cc1F ZINC000892114780 618538907 /nfs/dbraw/zinc/53/89/07/618538907.db2.gz JDKYNBKFLBMXOI-UHFFFAOYSA-N -1 3 279.355 3.066 20 0 CGADHM COc1cccc([O-])c1C(=O)N1C[C@@H](C)[C@H]1c1ccccc1 ZINC000900883703 620818236 /nfs/dbraw/zinc/81/82/36/620818236.db2.gz SILMDYBCUYRUMT-PXAZEXFGSA-N -1 3 297.354 3.234 20 0 CGADHM CSCCOC(=O)c1cccc2[n-]c(C(F)F)nc21 ZINC000924080160 618848207 /nfs/dbraw/zinc/84/82/07/618848207.db2.gz KACCOWZHMFSSIH-UHFFFAOYSA-N -1 3 286.303 3.020 20 0 CGADHM CCCCC[C@@H](CC)C(=O)N1CCCc2c(=O)[n-]cnc21 ZINC000893212131 619029743 /nfs/dbraw/zinc/02/97/43/619029743.db2.gz VXZZCDVYUMDARV-GFCCVEGCSA-N -1 3 291.395 3.068 20 0 CGADHM C[C@H](CN[C@@H](C)c1ncc(C(=O)[O-])s1)c1ccccc1 ZINC000314676008 619234770 /nfs/dbraw/zinc/23/47/70/619234770.db2.gz QMUDBZUUHHVPCA-MNOVXSKESA-N -1 3 290.388 3.296 20 0 CGADHM C[C@H](NCc1ccc([O-])c(F)c1)c1nc(C(C)(C)C)no1 ZINC000893970932 619342482 /nfs/dbraw/zinc/34/24/82/619342482.db2.gz HTQCNHCAIOPYBI-VIFPVBQESA-N -1 3 293.342 3.063 20 0 CGADHM CON(CC(C)(C)C)C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000804581940 619397067 /nfs/dbraw/zinc/39/70/67/619397067.db2.gz LPAHICYKXBDTCM-UHFFFAOYSA-N -1 3 291.391 3.321 20 0 CGADHM CC1(CC(F)F)CN(Cc2ccc([O-])c(F)c2)C1 ZINC000895106429 619731620 /nfs/dbraw/zinc/73/16/20/619731620.db2.gz WMNWXQQYGJICMV-UHFFFAOYSA-N -1 3 259.271 3.008 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)C[C@@H](C)c1ccccc1F ZINC000794851667 619776726 /nfs/dbraw/zinc/77/67/26/619776726.db2.gz HCPYGFHUQKPZEQ-VXGBXAGGSA-N -1 3 267.344 3.413 20 0 CGADHM CC(C)c1nnc([N-][C@H]2c3ccccc3OC[C@@H]2F)o1 ZINC000895556259 619849560 /nfs/dbraw/zinc/84/95/60/619849560.db2.gz STDKXWWGUAPAPV-JQWIXIFHSA-N -1 3 277.299 3.077 20 0 CGADHM Cc1cccc(COC(=O)c2cc(F)cc(Cl)c2[O-])n1 ZINC000751733011 620215938 /nfs/dbraw/zinc/21/59/38/620215938.db2.gz YJHLIHRJGHBYEP-UHFFFAOYSA-N -1 3 295.697 3.245 20 0 CGADHM COCSc1nnc([N-]c2ccccc2F)s1 ZINC000078292654 620546206 /nfs/dbraw/zinc/54/62/06/620546206.db2.gz CPIONZXOVNYCLK-UHFFFAOYSA-N -1 3 271.342 3.117 20 0 CGADHM Cc1cccc(CO[N-]C(=O)CCCc2cccs2)n1 ZINC000898938287 620611168 /nfs/dbraw/zinc/61/11/68/620611168.db2.gz VYTBZXAFCPKMDT-UHFFFAOYSA-N -1 3 290.388 3.022 20 0 CGADHM Cc1cc(CN2CCC(CC(=O)[O-])CC2)ccc1Cl ZINC000901420400 620882298 /nfs/dbraw/zinc/88/22/98/620882298.db2.gz OBBWHBOXRAHJQH-UHFFFAOYSA-N -1 3 281.783 3.335 20 0 CGADHM CC(C)[C@@](C)(CC(=O)[O-])NCc1csc(C(C)(C)C)n1 ZINC000901816715 621030005 /nfs/dbraw/zinc/03/00/05/621030005.db2.gz JDFKCRAQPXDERD-OAHLLOKOSA-N -1 3 298.452 3.420 20 0 CGADHM CCc1ccc(CN2CC3(CCC3)[C@](F)(C(=O)[O-])C2)cc1 ZINC000901917284 621062114 /nfs/dbraw/zinc/06/21/14/621062114.db2.gz YSTRNFKBGVLSOF-QGZVFWFLSA-N -1 3 291.366 3.028 20 0 CGADHM Cc1scc(CN2CC3(CCC3)[C@](F)(C(=O)[O-])C2)c1C ZINC000901910500 621066973 /nfs/dbraw/zinc/06/69/73/621066973.db2.gz HSBUXUJWAKLPIH-OAHLLOKOSA-N -1 3 297.395 3.144 20 0 CGADHM C[C@@H]1C[C@H](NCc2c(F)cccc2Cl)CC[C@H]1C(=O)[O-] ZINC000902096247 621147201 /nfs/dbraw/zinc/14/72/01/621147201.db2.gz DOUMPQHREGPPCB-GMTAPVOTSA-N -1 3 299.773 3.458 20 0 CGADHM Cc1cc(C)cc([C@H](C)NCc2ccoc2C(=O)[O-])c1 ZINC000902233867 621204452 /nfs/dbraw/zinc/20/44/52/621204452.db2.gz DZGWBWMNGJFFBW-LBPRGKRZSA-N -1 3 273.332 3.445 20 0 CGADHM O=C(CCC1CCCCC1)[N-]OCCc1ccns1 ZINC000902242100 621218761 /nfs/dbraw/zinc/21/87/61/621218761.db2.gz ZIFNLGMSHNIDKN-UHFFFAOYSA-N -1 3 282.409 3.094 20 0 CGADHM COc1ccc(CNCc2csc(C(=O)[O-])c2)c(C)c1 ZINC000902269318 621234353 /nfs/dbraw/zinc/23/43/53/621234353.db2.gz NXGMUDODQZKCCE-UHFFFAOYSA-N -1 3 291.372 3.053 20 0 CGADHM Cc1ncc([C@H](C)NCc2cc(C(=O)[O-])cs2)s1 ZINC000902382684 621298754 /nfs/dbraw/zinc/29/87/54/621298754.db2.gz SMNASZPBSVBAHQ-ZETCQYMHSA-N -1 3 282.390 3.062 20 0 CGADHM O=C([O-])c1ccc(CN2CC[C@@H]3C[C@@H]3C2)c(C(F)(F)F)c1 ZINC000902431481 621316333 /nfs/dbraw/zinc/31/63/33/621316333.db2.gz JJMQXKXYUIUMNN-BXKDBHETSA-N -1 3 299.292 3.245 20 0 CGADHM Cc1ccc(F)c(CN2[C@H](C)CC[C@H](C(=O)[O-])[C@@H]2C)c1F ZINC000903407967 621731800 /nfs/dbraw/zinc/73/18/00/621731800.db2.gz BRENZYBVRNTLHF-WOPDTQHZSA-N -1 3 297.345 3.347 20 0 CGADHM CC[C@@H](C)[C@@H](C(=O)[O-])N1CCc2c3ccccc3[nH]c2C1 ZINC000903598736 621768338 /nfs/dbraw/zinc/76/83/38/621768338.db2.gz XUYINAISXIPNII-BZNIZROVSA-N -1 3 286.375 3.025 20 0 CGADHM CC(C)n1cc([C@H](C)NCc2ccc(C(=O)[O-])s2)cn1 ZINC000903678322 621787215 /nfs/dbraw/zinc/78/72/15/621787215.db2.gz LAOXHJDGIRVSMJ-JTQLQIEISA-N -1 3 293.392 3.075 20 0 CGADHM CC(C)(/C=C/Cl)NCc1ccc(C(=O)[O-])cc1 ZINC000903710572 621794419 /nfs/dbraw/zinc/79/44/19/621794419.db2.gz QVYYXWDGYZFUDP-BQYQJAHWSA-N -1 3 253.729 3.006 20 0 CGADHM Cc1cc(CN[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])sn1 ZINC000904002917 621848153 /nfs/dbraw/zinc/84/81/53/621848153.db2.gz GXPUHQFWDVYJPJ-SMDDNHRTSA-N -1 3 290.388 3.003 20 0 CGADHM O=C([O-])c1cccc(CN[C@H](c2ccncc2)C2CC2)c1 ZINC000904272564 621896751 /nfs/dbraw/zinc/89/67/51/621896751.db2.gz GTJWGSIRXAYBRQ-INIZCTEOSA-N -1 3 282.343 3.021 20 0 CGADHM CC(C)(C)SCCN[C@@H](C(=O)[O-])c1ccccc1F ZINC000905377806 622065987 /nfs/dbraw/zinc/06/59/87/622065987.db2.gz XGEJXAMJMYXMAG-GFCCVEGCSA-N -1 3 285.384 3.073 20 0 CGADHM O=C([O-])c1ccc(CN[C@@H](c2ccccc2)C2CC2)nc1 ZINC000905718784 622098604 /nfs/dbraw/zinc/09/86/04/622098604.db2.gz NEAWEATZWRQLLX-INIZCTEOSA-N -1 3 282.343 3.021 20 0 CGADHM O=C([O-])c1ccc(CN[C@H](c2ccccc2)C2CCC2)nc1 ZINC000905723213 622100614 /nfs/dbraw/zinc/10/06/14/622100614.db2.gz AWNNOOATNSCYCC-QGZVFWFLSA-N -1 3 296.370 3.411 20 0 CGADHM COc1cccc([O-])c1C(=O)N1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000907296994 622290649 /nfs/dbraw/zinc/29/06/49/622290649.db2.gz UIOXXDYXCZDVJC-SJKOYZFVSA-N -1 3 289.375 3.053 20 0 CGADHM COc1cccc([O-])c1C(=O)N(CCC1CC1)CC1CC1 ZINC000912718246 622692615 /nfs/dbraw/zinc/69/26/15/622692615.db2.gz AFGUYJQOQYCRNX-UHFFFAOYSA-N -1 3 289.375 3.053 20 0 CGADHM CC[C@@H]1CCCC[C@@H]1C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000913356833 622763062 /nfs/dbraw/zinc/76/30/62/622763062.db2.gz FEDRREUYRCOPKJ-NEPJUHHUSA-N -1 3 299.378 3.022 20 0 CGADHM CC[C@@H]1CCCC[C@@H]1C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000913356833 622763071 /nfs/dbraw/zinc/76/30/71/622763071.db2.gz FEDRREUYRCOPKJ-NEPJUHHUSA-N -1 3 299.378 3.022 20 0 CGADHM COc1cccc(CN2CCCC[C@H]2CCC(=O)[O-])c1F ZINC000166017659 622871424 /nfs/dbraw/zinc/87/14/24/622871424.db2.gz SYWQWHRUWOSYDB-ZDUSSCGKSA-N -1 3 295.354 3.054 20 0 CGADHM CCO[C@@H](c1noc(-c2ccccc2[O-])n1)C(C)C ZINC000157409381 622902617 /nfs/dbraw/zinc/90/26/17/622902617.db2.gz SHIYLJQUTUJZRL-GFCCVEGCSA-N -1 3 262.309 3.176 20 0 CGADHM CCCCCC[C@@H](C)NC(=O)c1ccc(O)cc1[O-] ZINC000227553045 623023285 /nfs/dbraw/zinc/02/32/85/623023285.db2.gz GTJGVDSGNJHGDH-LLVKDONJSA-N -1 3 265.353 3.187 20 0 CGADHM Cc1ccc(-c2cc(C(=O)O[C@H](C)c3cccnc3)n[n-]2)o1 ZINC000172180795 623231547 /nfs/dbraw/zinc/23/15/47/623231547.db2.gz GFCFWMNPCHKSTB-LLVKDONJSA-N -1 3 297.314 3.291 20 0 CGADHM Cc1ccc(-c2cc(C(=O)O[C@H](C)c3cccnc3)[n-]n2)o1 ZINC000172180795 623231553 /nfs/dbraw/zinc/23/15/53/623231553.db2.gz GFCFWMNPCHKSTB-LLVKDONJSA-N -1 3 297.314 3.291 20 0 CGADHM [O-]c1ccc(CNc2ccc3c(c2)OCCCO3)cc1F ZINC000232421206 623386851 /nfs/dbraw/zinc/38/68/51/623386851.db2.gz RGUHCTIWQKGSLQ-UHFFFAOYSA-N -1 3 289.306 3.305 20 0 CGADHM CC(C)(C)C1CCN(Cc2cccc(C(=O)[O-])n2)CC1 ZINC000232491112 623395460 /nfs/dbraw/zinc/39/54/60/623395460.db2.gz LKBLRGHKIOVRSJ-UHFFFAOYSA-N -1 3 276.380 3.038 20 0 CGADHM Cc1cc(=O)[n-]c(CSC2=Nc3ccccc3C2)n1 ZINC000761865922 623787751 /nfs/dbraw/zinc/78/77/51/623787751.db2.gz PQJKEHCQLBLXIK-UHFFFAOYSA-N -1 3 271.345 3.010 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-][C@H](C)c2ccc(F)cc2C)o1 ZINC000921569591 625687349 /nfs/dbraw/zinc/68/73/49/625687349.db2.gz LLUAFMZQDGUWKE-LLVKDONJSA-N -1 3 297.351 3.075 20 0 CGADHM O=C(OC[C@H]1CCC(F)(F)C1)c1cc2occc2[n-]1 ZINC000837681456 624034488 /nfs/dbraw/zinc/03/44/88/624034488.db2.gz JQISYTFABNNBNR-QMMMGPOBSA-N -1 3 269.247 3.353 20 0 CGADHM Cc1cnc(CO[N-]C(=O)CCCc2ccccc2)s1 ZINC000179905209 624696328 /nfs/dbraw/zinc/69/63/28/624696328.db2.gz UFOJJOVAORGLRT-UHFFFAOYSA-N -1 3 290.388 3.022 20 0 CGADHM O=C(NCCC1CCC(F)(F)CC1)c1ccc(O)cc1[O-] ZINC000890059852 625825472 /nfs/dbraw/zinc/82/54/72/625825472.db2.gz LEOVFDMTRGVUHI-UHFFFAOYSA-N -1 3 299.317 3.043 20 0 CGADHM CC(C)C[C@@H](C)OC(=O)Cc1ccc([O-])c(F)c1 ZINC000838146362 626197269 /nfs/dbraw/zinc/19/72/69/626197269.db2.gz ROCCVEXCEUIMFT-SNVBAGLBSA-N -1 3 254.301 3.052 20 0 CGADHM Cc1ccc(N(C)Cc2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC000838814778 626257308 /nfs/dbraw/zinc/25/73/08/626257308.db2.gz JSWMDSNLGYXUKO-UHFFFAOYSA-N -1 3 269.348 3.004 20 0 CGADHM CC(C)C[C@@H](NC(=O)c1ccc(N)cc1[O-])c1ccccc1 ZINC000753037252 626444238 /nfs/dbraw/zinc/44/42/38/626444238.db2.gz MOIJRXNHBZTAAP-MRXNPFEDSA-N -1 3 298.386 3.492 20 0 CGADHM Cc1cc(CN[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])c(C)o1 ZINC000756385669 626699248 /nfs/dbraw/zinc/69/92/48/626699248.db2.gz RHMIYOHDJMBLTM-WBMJQRKESA-N -1 3 287.359 3.448 20 0 CGADHM Cc1cc(CN[C@H](c2ccccc2)[C@H](C)C(=O)[O-])c(C)o1 ZINC000756385667 626699291 /nfs/dbraw/zinc/69/92/91/626699291.db2.gz RHMIYOHDJMBLTM-LRDDRELGSA-N -1 3 287.359 3.448 20 0 CGADHM CCc1nnc([N-]C(=O)c2sccc2C(F)F)s1 ZINC000874132847 634519105 /nfs/dbraw/zinc/51/91/05/634519105.db2.gz NSMIFIWNGRCREO-UHFFFAOYSA-N -1 3 289.332 3.352 20 0 CGADHM O=C(CCCc1ccccc1)[N-]OCC[C@H]1CCCCO1 ZINC000758760361 626859004 /nfs/dbraw/zinc/85/90/04/626859004.db2.gz GJKSNDYFXBJHTR-MRXNPFEDSA-N -1 3 291.391 3.016 20 0 CGADHM Cc1cc(CCCC(=O)[N-]OCC(F)F)c(C)s1 ZINC000759339939 626889010 /nfs/dbraw/zinc/88/90/10/626889010.db2.gz SPKKNAQOYHRBSM-UHFFFAOYSA-N -1 3 277.336 3.001 20 0 CGADHM C[C@H]([N-]c1nc(-c2ccccc2)no1)c1ccc[nH]1 ZINC000760271359 626952183 /nfs/dbraw/zinc/95/21/83/626952183.db2.gz CHNMIUBDNUEIRM-JTQLQIEISA-N -1 3 254.293 3.238 20 0 CGADHM CCC[C@H](C)c1noc(-c2cc(OC)ccc2[O-])n1 ZINC000761856887 627067928 /nfs/dbraw/zinc/06/79/28/627067928.db2.gz WHUXTORTMORKET-VIFPVBQESA-N -1 3 262.309 3.354 20 0 CGADHM O=C(Nc1cccc([O-])c1F)C(F)(F)c1ccc(F)cc1 ZINC000762320161 627105083 /nfs/dbraw/zinc/10/50/83/627105083.db2.gz GVSQLMBVCHEXQN-UHFFFAOYSA-N -1 3 299.223 3.401 20 0 CGADHM Cc1cc(=O)[n-]c(CSCc2ccc(F)c(F)c2)n1 ZINC000763207492 627145528 /nfs/dbraw/zinc/14/55/28/627145528.db2.gz AOXAWGWFIKQVMX-UHFFFAOYSA-N -1 3 282.315 3.202 20 0 CGADHM Cc1cc(=O)[n-]c(CSCc2cccc(F)c2)n1 ZINC000763214527 627145649 /nfs/dbraw/zinc/14/56/49/627145649.db2.gz ZXAXANALTHEESX-UHFFFAOYSA-N -1 3 264.325 3.063 20 0 CGADHM O=c1ccnc(C=Cc2ccccc2OCC2CC2)[n-]1 ZINC000764443175 627208067 /nfs/dbraw/zinc/20/80/67/627208067.db2.gz UKQPCWGUUFRFGA-FPLPWBNLSA-N -1 3 268.316 3.141 20 0 CGADHM CCC1(CC)CCCN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000874627306 634572584 /nfs/dbraw/zinc/57/25/84/634572584.db2.gz ODTZRYDGPAZXIN-UHFFFAOYSA-N -1 3 298.386 3.323 20 0 CGADHM CCC(CC)n1ccc(COC(=O)c2ccc([O-])cc2)n1 ZINC000771308301 627697869 /nfs/dbraw/zinc/69/78/69/627697869.db2.gz WDWNNSFPDBJTJZ-UHFFFAOYSA-N -1 3 288.347 3.307 20 0 CGADHM CC(C)c1cccc(C[N-]C(=O)C(F)(F)C(F)F)c1 ZINC000775225460 628073141 /nfs/dbraw/zinc/07/31/41/628073141.db2.gz KGYFGGJTGOLOLV-UHFFFAOYSA-N -1 3 277.261 3.327 20 0 CGADHM C[C@@]1(C(=O)[N-]OC2CCCC2)CCc2ccccc2C1 ZINC000775277051 628077604 /nfs/dbraw/zinc/07/76/04/628077604.db2.gz YOABPKKJAWHZJF-QGZVFWFLSA-N -1 3 273.376 3.172 20 0 CGADHM C[C@@H](OC(=O)c1cnn[n-]1)c1ccc(Cl)c(Cl)c1 ZINC000805607185 628350706 /nfs/dbraw/zinc/35/07/06/628350706.db2.gz SLOYTWWBQNCJMR-ZCFIWIBFSA-N -1 3 286.118 3.030 20 0 CGADHM C[C@@H](OC(=O)c1c[n-]nn1)c1ccc(Cl)c(Cl)c1 ZINC000805607185 628350709 /nfs/dbraw/zinc/35/07/09/628350709.db2.gz SLOYTWWBQNCJMR-ZCFIWIBFSA-N -1 3 286.118 3.030 20 0 CGADHM CCc1cccc(C(=O)N2CC=C(c3ccccc3)C2)c1[O-] ZINC000779678665 628420025 /nfs/dbraw/zinc/42/00/25/628420025.db2.gz RIMWFEZJSUSKFA-UHFFFAOYSA-N -1 3 293.366 3.494 20 0 CGADHM CCc1cccc(C(=O)N(Cc2ccccc2)OC)c1[O-] ZINC000780786635 628517883 /nfs/dbraw/zinc/51/78/83/628517883.db2.gz MAONJJRVYBLESD-UHFFFAOYSA-N -1 3 285.343 3.158 20 0 CGADHM O=C(COC(=O)c1cc2ccsc2[n-]1)Cc1ccccc1 ZINC000785069558 628850873 /nfs/dbraw/zinc/85/08/73/628850873.db2.gz VBYGSNIGKBFNKN-UHFFFAOYSA-N -1 3 299.351 3.198 20 0 CGADHM C[C@H](OC(=O)c1cc2occc2[n-]1)c1ccncc1 ZINC000786030465 628908678 /nfs/dbraw/zinc/90/86/78/628908678.db2.gz QYHZDGZGTTYJRA-VIFPVBQESA-N -1 3 256.261 3.074 20 0 CGADHM CN(CCOC(=O)c1cc2occc2[n-]1)c1ccccc1 ZINC000786033618 628908869 /nfs/dbraw/zinc/90/88/69/628908869.db2.gz LNEBJNHSHHSUGU-UHFFFAOYSA-N -1 3 284.315 3.054 20 0 CGADHM CCc1ccc(C(=O)NC23CCC(CC2)C3)c([O-])c1 ZINC000787258444 629005069 /nfs/dbraw/zinc/00/50/69/629005069.db2.gz BRXNYCABQQEPOI-UHFFFAOYSA-N -1 3 259.349 3.017 20 0 CGADHM Cc1cc(=O)[n-]c(CN2CC(C)(C)[C@H]2c2cccs2)n1 ZINC000805839274 629013588 /nfs/dbraw/zinc/01/35/88/629013588.db2.gz CGRCFWHSZGVVJP-CQSZACIVSA-N -1 3 289.404 3.135 20 0 CGADHM O=C(NC1CCSCC1)c1cc2sccc2c([O-])c1 ZINC000788296492 629045069 /nfs/dbraw/zinc/04/50/69/629045069.db2.gz PIDWLTOIAUWURY-UHFFFAOYSA-N -1 3 293.413 3.232 20 0 CGADHM COC(=O)c1cnc(SCc2ccc(SC)cc2)[n-]1 ZINC000788505623 629060684 /nfs/dbraw/zinc/06/06/84/629060684.db2.gz MUDOTQNNVVOGFZ-UHFFFAOYSA-N -1 3 294.401 3.211 20 0 CGADHM Cc1ccnc(CO[N-]C(=O)CCC2CCCCC2)c1 ZINC000790503438 629213946 /nfs/dbraw/zinc/21/39/46/629213946.db2.gz UPECOUYLWBOACR-UHFFFAOYSA-N -1 3 276.380 3.298 20 0 CGADHM CSCC[C@@H](C)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000792190401 629347220 /nfs/dbraw/zinc/34/72/20/629347220.db2.gz KWTIMWOCPKQJSD-LLVKDONJSA-N -1 3 289.400 3.417 20 0 CGADHM O=C([N-]Cc1ccc(Cl)o1)C(F)(F)Cc1ccccc1 ZINC000793024897 629403267 /nfs/dbraw/zinc/40/32/67/629403267.db2.gz ADWMADBLENWBBX-UHFFFAOYSA-N -1 3 299.704 3.427 20 0 CGADHM Cc1c(C=Cc2cc(=O)[n-]c(C3CC3)n2)ccnc1F ZINC000863191663 629490692 /nfs/dbraw/zinc/49/06/92/629490692.db2.gz XOYVLZOBCPEFLK-SNAWJCMRSA-N -1 3 271.295 3.073 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])C(F)(F)Cc1ccccc1 ZINC000793736664 629499122 /nfs/dbraw/zinc/49/91/22/629499122.db2.gz ZWWKAIROBHTIJM-UHFFFAOYSA-N -1 3 295.260 3.348 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)CCc1ccc(Cl)cc1 ZINC000794854079 629588811 /nfs/dbraw/zinc/58/88/11/629588811.db2.gz URQNMKPVSVPGJD-LLVKDONJSA-N -1 3 269.772 3.367 20 0 CGADHM O=C(OC[C@H]1CCC[C@H](O)C1)c1cc(Cl)c(Cl)[n-]1 ZINC000795313970 629659398 /nfs/dbraw/zinc/65/93/98/629659398.db2.gz PPLSBRVEVIOTDC-YUMQZZPRSA-N -1 3 292.162 3.029 20 0 CGADHM CC1(C(=O)COC(=O)c2cc3sccc3c([O-])c2)CC1 ZINC000795637932 629703644 /nfs/dbraw/zinc/70/36/44/629703644.db2.gz XQBMROYKHYRFFJ-UHFFFAOYSA-N -1 3 290.340 3.133 20 0 CGADHM CC(F)(F)C(=O)[N-]C1(c2ccc(F)cc2F)CCC1 ZINC000808465048 629712448 /nfs/dbraw/zinc/71/24/48/629712448.db2.gz GVMFFIZIMBHDLV-UHFFFAOYSA-N -1 3 275.245 3.115 20 0 CGADHM CC(=O)c1ccc(C(=O)N[C@@H]2CCCC3(CC3)C2)cc1[O-] ZINC000888696638 634781681 /nfs/dbraw/zinc/78/16/81/634781681.db2.gz UUDZRBRHDGWXKY-CYBMUJFWSA-N -1 3 287.359 3.047 20 0 CGADHM COc1ccccc1CO[N-]C(=O)CCc1ccccc1C ZINC000799092086 630140754 /nfs/dbraw/zinc/14/07/54/630140754.db2.gz ADVGEKSRVYYWJJ-UHFFFAOYSA-N -1 3 299.370 3.184 20 0 CGADHM COc1ccccc1CO[N-]C(=O)C[C@H]1CCCC[C@H]1C ZINC000799096151 630141997 /nfs/dbraw/zinc/14/19/97/630141997.db2.gz NHFNUFIWFDQKMS-ZIAGYGMSSA-N -1 3 291.391 3.459 20 0 CGADHM CC(C)c1ccccc1OCCC(=O)[N-]OC1CCC1 ZINC000836800397 634805108 /nfs/dbraw/zinc/80/51/08/634805108.db2.gz WLRAZEUYSJAAJS-UHFFFAOYSA-N -1 3 277.364 3.179 20 0 CGADHM C[C@H]1CSC[C@@H]1NC(=O)c1cc2sccc2c([O-])c1 ZINC000804505201 630533333 /nfs/dbraw/zinc/53/33/33/630533333.db2.gz XPLSIYSNXUAYJI-KWQFWETISA-N -1 3 293.413 3.088 20 0 CGADHM C[C@@H](Cc1cccc(Cl)c1)C(=O)[N-]O[C@H]1CCCCO1 ZINC000125883996 634823295 /nfs/dbraw/zinc/82/32/95/634823295.db2.gz YBOLHBBQEPDTBJ-FZMZJTMJSA-N -1 3 297.782 3.093 20 0 CGADHM Cc1ccc([O-])c(CN2Cc3cccc(Cl)c3C2)n1 ZINC000809770968 630803489 /nfs/dbraw/zinc/80/34/89/630803489.db2.gz BYZOSFRDXYEHBY-UHFFFAOYSA-N -1 3 274.751 3.265 20 0 CGADHM O=C(OCc1cnns1)c1cc2cc(Cl)sc2[n-]1 ZINC000810656675 630919579 /nfs/dbraw/zinc/91/95/79/630919579.db2.gz RKINFMGEGKGPKH-UHFFFAOYSA-N -1 3 299.764 3.091 20 0 CGADHM COc1ccc(CCC(=O)[N-]O[C@H](C)c2ccccc2)cc1 ZINC000811015185 631005539 /nfs/dbraw/zinc/00/55/39/631005539.db2.gz IWXPBNLKDPUFGV-CQSZACIVSA-N -1 3 299.370 3.437 20 0 CGADHM CCC(C)(C)C(=O)COC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000811071533 631022361 /nfs/dbraw/zinc/02/23/61/631022361.db2.gz LQDZKPLGYXHTCU-UHFFFAOYSA-N -1 3 292.162 3.484 20 0 CGADHM Cc1ccc(CC(=O)[N-]OC[C@@H]2C[C@H]2c2ccccc2)cc1 ZINC000812303784 631236722 /nfs/dbraw/zinc/23/67/22/631236722.db2.gz DXHWPNIZWKXZKM-ROUUACIJSA-N -1 3 295.382 3.389 20 0 CGADHM O=C(CCCc1cc(F)ccc1F)[N-]OC/C=C\Cl ZINC000812398678 631244277 /nfs/dbraw/zinc/24/42/77/631244277.db2.gz AGYWTMIGOVDXRQ-UQCOIBPSSA-N -1 3 289.709 3.088 20 0 CGADHM C[C@H]1C[C@@H](CC(=O)[N-]OC2CCC2)CC(C)(C)C1 ZINC000812795644 631313678 /nfs/dbraw/zinc/31/36/78/631313678.db2.gz GHUMGUSVJLIYTE-RYUDHWBXSA-N -1 3 253.386 3.439 20 0 CGADHM COC(=O)c1cc(C(=O)Oc2ccc(C3CCC3)cc2)c[n-]1 ZINC000816022656 631861046 /nfs/dbraw/zinc/86/10/46/631861046.db2.gz CQUYCHPHVNGJPB-UHFFFAOYSA-N -1 3 299.326 3.288 20 0 CGADHM O=C([N-]OC1CCCCC1)c1c(Cl)cncc1Cl ZINC000816211804 631902498 /nfs/dbraw/zinc/90/24/98/631902498.db2.gz RJXJVRNUQVFFMZ-UHFFFAOYSA-N -1 3 289.162 3.383 20 0 CGADHM CCN(CCc1ccccn1)Cc1c(F)ccc([O-])c1F ZINC000816495711 631994647 /nfs/dbraw/zinc/99/46/47/631994647.db2.gz HDPKMEFDLZVJEW-UHFFFAOYSA-N -1 3 292.329 3.130 20 0 CGADHM C[C@]12CC3CC(C(=O)[N-]OCC4CC4)(C1)C[C@@](C)(C3)C2 ZINC000817339448 632127569 /nfs/dbraw/zinc/12/75/69/632127569.db2.gz JGJVTYCOIIXOIY-JOHJCKIYSA-N -1 3 277.408 3.441 20 0 CGADHM C[C@@H](Cn1ccc2ccccc21)C(=O)[N-]OCCC1CC1 ZINC000817383562 632136422 /nfs/dbraw/zinc/13/64/22/632136422.db2.gz OSMYPQWBAKOWCN-ZDUSSCGKSA-N -1 3 286.375 3.125 20 0 CGADHM O=C([N-]OCCC1CC1)C1(Cc2ccccc2)CCC1 ZINC000817399389 632137521 /nfs/dbraw/zinc/13/75/21/632137521.db2.gz JYYMKIVCTDGPNT-UHFFFAOYSA-N -1 3 273.376 3.247 20 0 CGADHM CCCO[N-]C(=O)C[C@H]1C[C@H](C)c2c1cccc2C ZINC000844087099 635818576 /nfs/dbraw/zinc/81/85/76/635818576.db2.gz HWYQLTKWTVBNNS-QWHCGFSZSA-N -1 3 261.365 3.434 20 0 CGADHM O=C(C[C@@H]1CC[C@H](C2CC2)O1)Nc1c([O-])cccc1Cl ZINC000820559788 632646845 /nfs/dbraw/zinc/64/68/45/632646845.db2.gz ZDTZVRRNSGWUMD-GXFFZTMASA-N -1 3 295.766 3.332 20 0 CGADHM O=C(C[C@@H]1CC[C@@H](C2CC2)O1)Nc1c([O-])cccc1Cl ZINC000820559786 632646909 /nfs/dbraw/zinc/64/69/09/632646909.db2.gz ZDTZVRRNSGWUMD-GWCFXTLKSA-N -1 3 295.766 3.332 20 0 CGADHM CC(C)[C@H]1C[C@H](C(=O)Nc2c([O-])cccc2Cl)CCO1 ZINC000820558388 632647244 /nfs/dbraw/zinc/64/72/44/632647244.db2.gz QDYLIZRLHLHSEH-ZWNOBZJWSA-N -1 3 297.782 3.435 20 0 CGADHM CC1(C)[C@H](C(=O)[N-]OCC(F)(F)F)[C@H]1c1ccccc1 ZINC000866733102 633237935 /nfs/dbraw/zinc/23/79/35/633237935.db2.gz BFDUFNYTNMZSLJ-MNOVXSKESA-N -1 3 287.281 3.036 20 0 CGADHM C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)Nc1c([O-])cccc1Cl ZINC000868565611 633336856 /nfs/dbraw/zinc/33/68/56/633336856.db2.gz BTCPCAYHVJLWGH-RGOKHQFPSA-N -1 3 265.740 3.276 20 0 CGADHM CC[C@@H]1CCC[C@@H](CNCc2nc(CC(=O)[O-])cs2)C1 ZINC000871881610 633909417 /nfs/dbraw/zinc/90/94/17/633909417.db2.gz ZYHSHGRNQZGWQB-VXGBXAGGSA-N -1 3 296.436 3.076 20 0 CGADHM COc1ccc(CN[C@H](C)c2cccc([O-])c2F)cc1 ZINC000872016099 633936987 /nfs/dbraw/zinc/93/69/87/633936987.db2.gz DQGHRFZGIIPOQG-LLVKDONJSA-N -1 3 275.323 3.391 20 0 CGADHM CCc1nc(CN[C@@H](C)c2cccc([O-])c2F)cs1 ZINC000872036277 633955786 /nfs/dbraw/zinc/95/57/86/633955786.db2.gz QXRFHZYRIQZERK-VIFPVBQESA-N -1 3 280.368 3.401 20 0 CGADHM COc1ccccc1CO[N-]C(=O)[C@]1(C)CCC[C@H]1C ZINC000831769930 633998000 /nfs/dbraw/zinc/99/80/00/633998000.db2.gz YJTXPRKKCDZIFM-MLGOLLRUSA-N -1 3 277.364 3.069 20 0 CGADHM C[C@@H](NCc1ncc(Cl)s1)c1cccc([O-])c1F ZINC000872112939 634038529 /nfs/dbraw/zinc/03/85/29/634038529.db2.gz LXVWQAIDXPTDLZ-SSDOTTSWSA-N -1 3 286.759 3.492 20 0 CGADHM Cc1ccc(CN2C[C@@H](C)S[C@@H](C)C2)cc1C(=O)[O-] ZINC000872157107 634067655 /nfs/dbraw/zinc/06/76/55/634067655.db2.gz KKIUOVODSMNKGU-TXEJJXNPSA-N -1 3 279.405 3.019 20 0 CGADHM Cc1ccc(CN2C[C@H](C)S[C@@H](C)C2)cc1C(=O)[O-] ZINC000872157106 634068217 /nfs/dbraw/zinc/06/82/17/634068217.db2.gz KKIUOVODSMNKGU-RYUDHWBXSA-N -1 3 279.405 3.019 20 0 CGADHM CCON(Cc1ccccc1)[C@@H](C)c1nc(C)cc(=O)[n-]1 ZINC000832800376 634098087 /nfs/dbraw/zinc/09/80/87/634098087.db2.gz LRHOCLYBUKVDKB-ZDUSSCGKSA-N -1 3 287.363 3.005 20 0 CGADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCCCCCCC1 ZINC000836927371 634831739 /nfs/dbraw/zinc/83/17/39/634831739.db2.gz XSGVXWSTVCSRQL-UHFFFAOYSA-N -1 3 298.386 3.325 20 0 CGADHM Cc1ccc(CC(=O)[N-]OC[C@H]2CCCCC2(F)F)cc1 ZINC000842026362 635258536 /nfs/dbraw/zinc/25/85/36/635258536.db2.gz LQJOKICLGJLKQL-CQSZACIVSA-N -1 3 297.345 3.411 20 0 CGADHM Nc1ccc(C(=O)N[C@@H](C2CCC2)C2CCCC2)c([O-])c1 ZINC000843508457 635682573 /nfs/dbraw/zinc/68/25/73/635682573.db2.gz SUWHBPNSDOCTGG-MRXNPFEDSA-N -1 3 288.391 3.063 20 0 CGADHM CC(=O)c1cccc(NC(=O)C=C2CCCC2)c1[O-] ZINC000843886804 635792365 /nfs/dbraw/zinc/79/23/65/635792365.db2.gz QXZZVBGDVOEDBE-UHFFFAOYSA-N -1 3 259.305 3.034 20 0 CGADHM CC(=O)c1cccc(NC(=O)CCCOC(C)(C)C)c1[O-] ZINC000843889224 635793104 /nfs/dbraw/zinc/79/31/04/635793104.db2.gz LVBJYHQNXIWSDQ-UHFFFAOYSA-N -1 3 293.363 3.129 20 0 CGADHM CCN(CCSC)C(=O)c1cc2sccc2c([O-])c1 ZINC000844123042 635825114 /nfs/dbraw/zinc/82/51/14/635825114.db2.gz RXFMFAJCVPMNNK-UHFFFAOYSA-N -1 3 295.429 3.432 20 0 CGADHM Cc1occc1CN(C)Cc1cc(=O)oc2cc([O-])ccc12 ZINC000128487167 636021947 /nfs/dbraw/zinc/02/19/47/636021947.db2.gz KDYUUYUZYGCEKJ-UHFFFAOYSA-N -1 3 299.326 3.032 20 0 CGADHM [O-]c1ccc(F)c(CN2CCC[C@@]3(CC3(F)F)C2)c1F ZINC000846105793 636144255 /nfs/dbraw/zinc/14/42/55/636144255.db2.gz YKNWEGORBKFKGY-CYBMUJFWSA-N -1 3 289.272 3.292 20 0 CGADHM Cc1cc([C@@H]2CCCN2CCC(C)(C)CC(=O)[O-])no1 ZINC000846236649 636165217 /nfs/dbraw/zinc/16/52/17/636165217.db2.gz VTRKGAOOWGAAPC-ZDUSSCGKSA-N -1 3 280.368 3.011 20 0 CGADHM COc1ccccc1CO[N-]C(=O)[C@@]1(C)CC=C(C)CC1 ZINC000847178679 636359033 /nfs/dbraw/zinc/35/90/33/636359033.db2.gz UDNMDUJEVRYQLX-KRWDZBQOSA-N -1 3 289.375 3.380 20 0 CGADHM C[Si](C)(C)CCCC(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000847434178 636389304 /nfs/dbraw/zinc/38/93/04/636389304.db2.gz WBRAZXWKKMHNMD-UHFFFAOYSA-N -1 3 292.415 3.122 20 0 CGADHM O=C(c1ccccc1[O-])N1C[C@@H]2CC[C@H]1c1ccccc12 ZINC000882751388 636408189 /nfs/dbraw/zinc/40/81/89/636408189.db2.gz LGXVKZXXXKIBKM-LRDDRELGSA-N -1 3 279.339 3.467 20 0 CGADHM O=C([N-]c1nc(C2CC2)no1)c1ccc(C(F)F)cc1F ZINC000848369766 636563886 /nfs/dbraw/zinc/56/38/86/636563886.db2.gz GIRIUZBZCDCVOG-UHFFFAOYSA-N -1 3 297.236 3.276 20 0 CGADHM Cc1ccc([O-])c(CN[C@@H]2c3ccccc3CC[C@@H]2F)n1 ZINC000883382488 636724614 /nfs/dbraw/zinc/72/46/14/636724614.db2.gz HUWSASDIRROYCZ-WMLDXEAASA-N -1 3 286.350 3.211 20 0 CGADHM CC[C@@]1(C(=O)[O-])CCCN(Cc2ccc(F)c(F)c2)C1 ZINC000086784312 636785191 /nfs/dbraw/zinc/78/51/91/636785191.db2.gz RPBZTOMWXAJXAI-OAHLLOKOSA-N -1 3 283.318 3.042 20 0 CGADHM CC(C)COCCOC(=O)c1cc(F)cc(Cl)c1[O-] ZINC000800178444 636948481 /nfs/dbraw/zinc/94/84/81/636948481.db2.gz WQQGQLCWAAWUCC-UHFFFAOYSA-N -1 3 290.718 3.014 20 0 CGADHM C[C@H]1C[C@@H]1c1ccc(CCC(=O)[N-]OC2CCCC2)o1 ZINC000135354766 637120425 /nfs/dbraw/zinc/12/04/25/637120425.db2.gz VWACVMOQCQTSDG-FZMZJTMJSA-N -1 3 277.364 3.326 20 0 CGADHM O=C(NCC1CCC=CCC1)c1c[n-]c2ccccc2c1=O ZINC000886022747 637370490 /nfs/dbraw/zinc/37/04/90/637370490.db2.gz CKZWLGGVMAEHHU-UHFFFAOYSA-N -1 3 296.370 3.004 20 0 CGADHM CC1(CO[N-]C(=O)CCCc2ccccc2)CCC1 ZINC000853664893 637885884 /nfs/dbraw/zinc/88/58/84/637885884.db2.gz WFBBDGFADAKGGB-UHFFFAOYSA-N -1 3 261.365 3.247 20 0 CGADHM O=c1ccc(-c2ccc([C@H](O)C3CCC3)cc2)c(F)[n-]1 ZINC000854190246 638013677 /nfs/dbraw/zinc/01/36/77/638013677.db2.gz ZHRLUYBZCKVURV-OAHLLOKOSA-N -1 3 273.307 3.427 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)CC[C@@H]1CC1(Cl)Cl ZINC000854603317 638077262 /nfs/dbraw/zinc/07/72/62/638077262.db2.gz VYECWNLSHFPONN-RKDXNWHRSA-N -1 3 268.184 3.054 20 0 CGADHM CCn1cc(CC(=O)[N-]OCC2CCC2)c2ccccc21 ZINC000856346915 638347038 /nfs/dbraw/zinc/34/70/38/638347038.db2.gz UUEHBPGWQPKQGV-UHFFFAOYSA-N -1 3 286.375 3.052 20 0 CGADHM Cc1cccc(OCCCCC(=O)[N-]OCC2CCC2)c1 ZINC000856346512 638347629 /nfs/dbraw/zinc/34/76/29/638347629.db2.gz CMPLZCKNLUKCBO-UHFFFAOYSA-N -1 3 291.391 3.392 20 0 CGADHM C[C@H]1CC[C@H](NC(=O)c2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000857184621 638468146 /nfs/dbraw/zinc/46/81/46/638468146.db2.gz BANTXWYONJQAAL-KWQFWETISA-N -1 3 287.281 3.329 20 0 CGADHM Cc1ccc(NC(=O)c2[n-]cnc2C(F)(F)F)cc1C ZINC000857428866 638505644 /nfs/dbraw/zinc/50/56/44/638505644.db2.gz JKQNTEVYBDFGOA-UHFFFAOYSA-N -1 3 283.253 3.298 20 0 CGADHM Cc1ccc(NC(=O)c2nc[n-]c2C(F)(F)F)cc1C ZINC000857428866 638505647 /nfs/dbraw/zinc/50/56/47/638505647.db2.gz JKQNTEVYBDFGOA-UHFFFAOYSA-N -1 3 283.253 3.298 20 0 CGADHM CCc1ccc([O-])c(C(=O)N(CC(F)(F)F)C2CC2)c1 ZINC000857509204 638511342 /nfs/dbraw/zinc/51/13/42/638511342.db2.gz DLKKCNBSSFKZQI-UHFFFAOYSA-N -1 3 287.281 3.122 20 0 CGADHM O=C(Cc1ccc2cnccc2c1)[N-]OC1CCCCC1 ZINC000860992226 639483337 /nfs/dbraw/zinc/48/33/37/639483337.db2.gz HTODWAQEVYGJRA-UHFFFAOYSA-N -1 3 284.359 3.158 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CCCC2(CCCC2)C1 ZINC000861191728 639526882 /nfs/dbraw/zinc/52/68/82/639526882.db2.gz DYXBRIQKRMOYFD-UHFFFAOYSA-N -1 3 273.376 3.497 20 0 CGADHM O=C(CCc1ccc(Cl)c(F)c1)[N-]OC/C=C/Cl ZINC000861783223 639614187 /nfs/dbraw/zinc/61/41/87/639614187.db2.gz UGDDLKMFWAOVDY-LZCJLJQNSA-N -1 3 292.137 3.212 20 0 CGADHM C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C(=O)Nc1cccc([O-])c1F ZINC000935134806 639754134 /nfs/dbraw/zinc/75/41/34/639754134.db2.gz LUQIBSOKLXCTFA-GWOFURMSSA-N -1 3 263.312 3.152 20 0 CGADHM CC(=O)c1cccc(NC(=O)[C@@H]2C[C@@H]3C[C@@H]3C[C@H]2C)c1[O-] ZINC000935987529 639877806 /nfs/dbraw/zinc/87/78/06/639877806.db2.gz RCKSMUDNCQJXKN-GASQSECBSA-N -1 3 287.359 3.216 20 0 CGADHM COc1cc(C(=O)/C=C/c2cccc3c2OCO3)ccc1[O-] ZINC000044025274 639952403 /nfs/dbraw/zinc/95/24/03/639952403.db2.gz ACHSBCYLFQDPKJ-FNORWQNLSA-N -1 3 298.294 3.026 20 0 CGADHM C[C@H](Cc1ccccc1Cl)NC(=O)c1ccccc1[O-] ZINC000048482659 640055636 /nfs/dbraw/zinc/05/56/36/640055636.db2.gz QTBZJGXZFHSSKY-LLVKDONJSA-N -1 3 289.762 3.407 20 0 CGADHM CCc1ccc(C(=O)N2CCC3(CCCC3)C2)c([O-])c1 ZINC000187914625 640104696 /nfs/dbraw/zinc/10/46/96/640104696.db2.gz DSXSDXTUIPSNQF-UHFFFAOYSA-N -1 3 273.376 3.361 20 0 CGADHM COc1cc(/C=C/C(=O)c2ccc([O-])c(C)c2)ccc1O ZINC000077166034 640226697 /nfs/dbraw/zinc/22/66/97/640226697.db2.gz MRTYUHYDZLBZOB-ZZXKWVIFSA-N -1 3 284.311 3.311 20 0 CGADHM CN(CCOCC1CC1)Cc1c([O-])ccc(Cl)c1F ZINC000191424967 640310175 /nfs/dbraw/zinc/31/01/75/640310175.db2.gz LERVLGFXLIGGPF-UHFFFAOYSA-N -1 3 287.762 3.043 20 0 CGADHM Cc1ccc(C(=O)Nc2ccc(Cl)nc2C)c([O-])c1O ZINC000192492375 640375785 /nfs/dbraw/zinc/37/57/85/640375785.db2.gz JIRLQMQEAZXWGP-UHFFFAOYSA-N -1 3 292.722 3.015 20 0 CGADHM Cc1ccc(-c2cc(C(=O)OCCC(F)(F)F)n[n-]2)o1 ZINC000194065092 640509496 /nfs/dbraw/zinc/50/94/96/640509496.db2.gz QSYMOZKIRSDZSM-UHFFFAOYSA-N -1 3 288.225 3.087 20 0 CGADHM Cc1ccc(-c2cc(C(=O)OCCC(F)(F)F)[n-]n2)o1 ZINC000194065092 640509500 /nfs/dbraw/zinc/50/95/00/640509500.db2.gz QSYMOZKIRSDZSM-UHFFFAOYSA-N -1 3 288.225 3.087 20 0 CGADHM Cc1cccc(C(=O)Nc2ccc(N(C)C)c(C)c2)c1[O-] ZINC000195552357 640589566 /nfs/dbraw/zinc/58/95/66/640589566.db2.gz CIUFBJPMJKMGRM-UHFFFAOYSA-N -1 3 284.359 3.327 20 0 CGADHM Cc1cc(C)cc(N(C)C(=O)c2cc3c(cc2[O-])OCO3)c1 ZINC000094032914 640787721 /nfs/dbraw/zinc/78/77/21/640787721.db2.gz UGFVGIROOGQWAB-UHFFFAOYSA-N -1 3 299.326 3.014 20 0 CGADHM C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NC(=O)c1cc2sccc2c([O-])c1 ZINC001155837758 805614907 /nfs/dbraw/zinc/61/49/07/805614907.db2.gz GYOLRWSUSIELGK-WRSRJMLGSA-N -1 3 287.384 3.381 20 0 CGADHM Cc1cc(-c2ccc(S(C)(=O)=O)cc2)cc(Cl)c1[O-] ZINC001250525349 805675246 /nfs/dbraw/zinc/67/52/46/805675246.db2.gz FFPQVNDUXPOCEL-UHFFFAOYSA-N -1 3 296.775 3.425 20 0 CGADHM CCOc1cccc2[nH]c(-c3ccc([O-])cc3F)nc21 ZINC001250845266 805786342 /nfs/dbraw/zinc/78/63/42/805786342.db2.gz BDPFYWMLCLPKNK-UHFFFAOYSA-N -1 3 272.279 3.473 20 0 CGADHM COc1cc2nc(-c3c(F)cc([O-])cc3F)[nH]c2cc1F ZINC001251007918 805825968 /nfs/dbraw/zinc/82/59/68/805825968.db2.gz SDRASAFOJIWUEB-UHFFFAOYSA-N -1 3 294.232 3.361 20 0 CGADHM CC[C@H](C)C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC001251313113 805879390 /nfs/dbraw/zinc/87/93/90/805879390.db2.gz SSTASWJYVHNBQD-QMMMGPOBSA-N -1 3 296.219 3.318 20 0 CGADHM CN(C)c1ccc2nc(-c3c([O-])ccc(F)c3F)[nH]c2c1 ZINC001251322176 805882018 /nfs/dbraw/zinc/88/20/18/805882018.db2.gz PCIMFAZZQKBHAV-UHFFFAOYSA-N -1 3 289.285 3.280 20 0 CGADHM CSc1ccc([O-])c(C(=O)N[C@@H]2C[C@@H]3CCC[C@H]23)c1 ZINC001158945684 806025458 /nfs/dbraw/zinc/02/54/58/806025458.db2.gz GMRRCYKIFFVWIN-XHVZSJERSA-N -1 3 277.389 3.033 20 0 CGADHM c1cc2cc(Nc3ccc(-c4nn[n-]n4)cc3)ccc2[nH]1 ZINC001159564026 806122517 /nfs/dbraw/zinc/12/25/17/806122517.db2.gz QSHUNCWLGLULBM-UHFFFAOYSA-N -1 3 276.303 3.092 20 0 CGADHM CCCc1nnc(-c2nc3cc(Cl)ccc3[n-]2)o1 ZINC001253944516 806321626 /nfs/dbraw/zinc/32/16/26/806321626.db2.gz KOOPYXQXFBKMKO-UHFFFAOYSA-N -1 3 262.700 3.219 20 0 CGADHM [O-]c1cccc(O)c1-c1nnc([C@@H]2C[C@@H]2c2ccccc2)o1 ZINC001254515150 806434436 /nfs/dbraw/zinc/43/44/36/806434436.db2.gz XUSBQOYRYCTWJD-VXGBXAGGSA-N -1 3 294.310 3.419 20 0 CGADHM C[C@@]1(O)CC[C@@H](Nc2[n-]c(=O)c(Cl)cc2Cl)CC1 ZINC001162354851 806563152 /nfs/dbraw/zinc/56/31/52/806563152.db2.gz QQDOTVINHNKIFI-HCJPZQEFSA-N -1 3 291.178 3.200 20 0 CGADHM Cc1ccc(NC[C@H]2CCC(F)(F)C2)cc1-c1nnn[n-]1 ZINC001162654591 806640222 /nfs/dbraw/zinc/64/02/22/806640222.db2.gz CGLKUMYNCBAUCN-JTQLQIEISA-N -1 3 293.321 3.022 20 0 CGADHM Cc1ccc(NC[C@H]2CCC(F)(F)C2)cc1-c1nn[n-]n1 ZINC001162654591 806640228 /nfs/dbraw/zinc/64/02/28/806640228.db2.gz CGLKUMYNCBAUCN-JTQLQIEISA-N -1 3 293.321 3.022 20 0 CGADHM Cc1ncc(CO)c(/C=N/CCCC2CCCCC2)c1[O-] ZINC000032069973 798847285 /nfs/dbraw/zinc/84/72/85/798847285.db2.gz ZVDYWVTYGDNVOA-WOJGMQOQSA-N -1 3 290.407 3.367 20 0 CGADHM CC[C@@H]1CCCN(Cc2cc(F)c([O-])c(F)c2)C1 ZINC000132245584 799031097 /nfs/dbraw/zinc/03/10/97/799031097.db2.gz MFVVWDUZXDWKPA-SNVBAGLBSA-N -1 3 255.308 3.292 20 0 CGADHM CC(C)(C)SCCN1CCc2c(cccc2C(=O)[O-])C1 ZINC000380223372 799360064 /nfs/dbraw/zinc/36/00/64/799360064.db2.gz JTYMZGGKFODDPW-UHFFFAOYSA-N -1 3 293.432 3.275 20 0 CGADHM C[C@H](CN1Cc2ccccc2[C@H](C(=O)[O-])C1)C(C)(C)C ZINC000383227279 799401378 /nfs/dbraw/zinc/40/13/78/799401378.db2.gz ALHPISZEANFRCF-IUODEOHRSA-N -1 3 275.392 3.353 20 0 CGADHM O=C([O-])CC[C@@H]1CCCCN1CC=C(Cl)Cl ZINC000403509648 799567421 /nfs/dbraw/zinc/56/74/21/799567421.db2.gz BRGRRYZVXZPDAB-VIFPVBQESA-N -1 3 266.168 3.025 20 0 CGADHM COc1cccc([O-])c1C(=O)N[C@H](C)CCCC(C)C ZINC000405269349 799582643 /nfs/dbraw/zinc/58/26/43/799582643.db2.gz NSDSQDKQFMTTAQ-GFCCVEGCSA-N -1 3 279.380 3.345 20 0 CGADHM CCC(CC)(CNC(=O)c1c(C)cccc1[O-])SC ZINC000706670407 799964209 /nfs/dbraw/zinc/96/42/09/799964209.db2.gz ZAVRVPWNCQBHQV-UHFFFAOYSA-N -1 3 281.421 3.352 20 0 CGADHM CC(C)CCO[C@@H]1CCN(Cc2cc(C(=O)[O-])cs2)C1 ZINC000711422176 800057106 /nfs/dbraw/zinc/05/71/06/800057106.db2.gz NUJOXIAFCMOIMV-CYBMUJFWSA-N -1 3 297.420 3.083 20 0 CGADHM O=C([O-])[C@]12CCC[C@H]1N(Cc1c(F)cccc1Cl)CC2 ZINC000711652218 800068488 /nfs/dbraw/zinc/06/84/88/800068488.db2.gz DSFPLZXSZQBUCF-HIFRSBDPSA-N -1 3 297.757 3.308 20 0 CGADHM CCCCCc1nnc(-c2ccc([O-])c(C(C)=O)c2)o1 ZINC001256068437 806809252 /nfs/dbraw/zinc/80/92/52/806809252.db2.gz UBYZNKZXPOTNKS-UHFFFAOYSA-N -1 3 274.320 3.378 20 0 CGADHM CCCCCc1nnc(-c2cnc(C(F)(F)F)[n-]2)o1 ZINC001256123239 806829802 /nfs/dbraw/zinc/82/98/02/806829802.db2.gz NXBDRXRQPJGJPD-UHFFFAOYSA-N -1 3 274.246 3.211 20 0 CGADHM CCCCCc1nnc(-c2c[n-]c(C(F)(F)F)n2)o1 ZINC001256123239 806829808 /nfs/dbraw/zinc/82/98/08/806829808.db2.gz NXBDRXRQPJGJPD-UHFFFAOYSA-N -1 3 274.246 3.211 20 0 CGADHM CC(C)(C)C(=O)CNc1[n-]c(=O)c(Cl)cc1Cl ZINC001163997919 806870521 /nfs/dbraw/zinc/87/05/21/806870521.db2.gz CVVMVVNLSVTMLD-UHFFFAOYSA-N -1 3 277.151 3.121 20 0 CGADHM CC(C)O[N-]C(=O)C[C@H](C)Cc1ccc(Cl)cc1 ZINC001117817307 802503999 /nfs/dbraw/zinc/50/39/99/802503999.db2.gz ZXFSVVSUBHPAFK-LLVKDONJSA-N -1 3 269.772 3.365 20 0 CGADHM [O-]c1cccc(Nc2csc(CO)c2)c1Cl ZINC001176369308 809679373 /nfs/dbraw/zinc/67/93/73/809679373.db2.gz MOMQNQMQOPXYBC-UHFFFAOYSA-N -1 3 255.726 3.343 20 0 CGADHM Cc1nnc([N-]C(=O)c2cscc2C(F)(F)F)s1 ZINC001124457347 803025310 /nfs/dbraw/zinc/02/53/10/803025310.db2.gz CLZIGQMVINVGHR-UHFFFAOYSA-N -1 3 293.295 3.179 20 0 CGADHM COCc1ccnc(-c2ccc([O-])cc2C(F)(F)F)n1 ZINC001205073649 812849249 /nfs/dbraw/zinc/84/92/49/812849249.db2.gz WUUCMHXSKYKMSX-UHFFFAOYSA-N -1 3 284.237 3.014 20 0 CGADHM Cc1cc(F)cc(C)c1-c1cc(-c2nnn[n-]2)ccc1F ZINC001243925957 803078638 /nfs/dbraw/zinc/07/86/38/803078638.db2.gz PCIHIKOZLVISRS-UHFFFAOYSA-N -1 3 286.285 3.429 20 0 CGADHM Cc1cc(F)cc(C)c1-c1cc(-c2nn[n-]n2)ccc1F ZINC001243925957 803078642 /nfs/dbraw/zinc/07/86/42/803078642.db2.gz PCIHIKOZLVISRS-UHFFFAOYSA-N -1 3 286.285 3.429 20 0 CGADHM CCOC(=O)c1c(F)cncc1-c1c([O-])cccc1Cl ZINC001244044670 803158396 /nfs/dbraw/zinc/15/83/96/803158396.db2.gz QEKRMKKDBNPXMQ-UHFFFAOYSA-N -1 3 295.697 3.423 20 0 CGADHM Oc1cccc(Cl)c1-c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001244045416 803159715 /nfs/dbraw/zinc/15/97/15/803159715.db2.gz XJHURFMMPDDSKZ-UHFFFAOYSA-N -1 3 290.685 3.032 20 0 CGADHM Oc1cccc(Cl)c1-c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001244045416 803159719 /nfs/dbraw/zinc/15/97/19/803159719.db2.gz XJHURFMMPDDSKZ-UHFFFAOYSA-N -1 3 290.685 3.032 20 0 CGADHM COc1c(C)cc(C)cc1-c1cccc(-c2nnn[n-]2)c1 ZINC001244118085 803195649 /nfs/dbraw/zinc/19/56/49/803195649.db2.gz RJZBXHHQKKBRSO-UHFFFAOYSA-N -1 3 280.331 3.159 20 0 CGADHM COc1c(C)cc(C)cc1-c1cccc(-c2nn[n-]n2)c1 ZINC001244118085 803195653 /nfs/dbraw/zinc/19/56/53/803195653.db2.gz RJZBXHHQKKBRSO-UHFFFAOYSA-N -1 3 280.331 3.159 20 0 CGADHM CC(C)COc1cccc(-c2ccc(=S)[n-]n2)c1 ZINC001244192834 803237494 /nfs/dbraw/zinc/23/74/94/803237494.db2.gz SVXHDSCQBUOANR-UHFFFAOYSA-N -1 3 260.362 3.467 20 0 CGADHM CC(C)c1ccc(N)c(-c2cc(F)cc(-c3nnn[n-]3)c2)c1 ZINC001244231806 803252646 /nfs/dbraw/zinc/25/26/46/803252646.db2.gz WAXNKJADPRVJCV-UHFFFAOYSA-N -1 3 297.337 3.378 20 0 CGADHM CC(C)c1ccc(N)c(-c2cc(F)cc(-c3nn[n-]n3)c2)c1 ZINC001244231806 803252652 /nfs/dbraw/zinc/25/26/52/803252652.db2.gz WAXNKJADPRVJCV-UHFFFAOYSA-N -1 3 297.337 3.378 20 0 CGADHM Cc1ccc(-c2cnccc2C2CC2)cc1-c1nnn[n-]1 ZINC001244286115 803279846 /nfs/dbraw/zinc/27/98/46/803279846.db2.gz XUCSBMHMRJKNDL-UHFFFAOYSA-N -1 3 277.331 3.115 20 0 CGADHM Cc1ccc(-c2cnccc2C2CC2)cc1-c1nn[n-]n1 ZINC001244286115 803279852 /nfs/dbraw/zinc/27/98/52/803279852.db2.gz XUCSBMHMRJKNDL-UHFFFAOYSA-N -1 3 277.331 3.115 20 0 CGADHM CC(C)c1cc(-c2cc(F)cc(-c3nnn[n-]3)c2)ccc1N ZINC001244337575 803313551 /nfs/dbraw/zinc/31/35/51/803313551.db2.gz FETWNZXOJMHSNW-UHFFFAOYSA-N -1 3 297.337 3.378 20 0 CGADHM CC(C)c1cc(-c2cc(F)cc(-c3nn[n-]n3)c2)ccc1N ZINC001244337575 803313556 /nfs/dbraw/zinc/31/35/56/803313556.db2.gz FETWNZXOJMHSNW-UHFFFAOYSA-N -1 3 297.337 3.378 20 0 CGADHM Cc1ccc(-c2ccc(Cl)cc2[O-])cc1S(C)(=O)=O ZINC001244469697 803386265 /nfs/dbraw/zinc/38/62/65/803386265.db2.gz OXWHUMOUTOJPJA-UHFFFAOYSA-N -1 3 296.775 3.425 20 0 CGADHM CNC(=O)c1ccccc1-c1ccc(Cl)cc1[O-] ZINC001244469631 803386507 /nfs/dbraw/zinc/38/65/07/803386507.db2.gz NFLHSFJMNDPIAE-UHFFFAOYSA-N -1 3 261.708 3.072 20 0 CGADHM O=c1cc(-c2ccc(Cl)cc2[O-])ccn1-c1cccnc1 ZINC001244471465 803387169 /nfs/dbraw/zinc/38/71/69/803387169.db2.gz GGQDJPSUNXSWSA-UHFFFAOYSA-N -1 3 298.729 3.259 20 0 CGADHM [O-]c1cc(Cl)ccc1-c1cnc2c(c1)CCCN2 ZINC001244473339 803388757 /nfs/dbraw/zinc/38/87/57/803388757.db2.gz VTJLUHMCUNCMQG-UHFFFAOYSA-N -1 3 260.724 3.108 20 0 CGADHM Cc1cc(-c2ncc(C(F)F)cn2)cc([O-])c1F ZINC001244507673 803411271 /nfs/dbraw/zinc/41/12/71/803411271.db2.gz NURVQFFPUJGKRZ-UHFFFAOYSA-N -1 3 254.211 3.234 20 0 CGADHM Cc1cc(-c2nccc(OC(C)(C)C)n2)cc([O-])c1F ZINC001244507659 803411718 /nfs/dbraw/zinc/41/17/18/803411718.db2.gz VTMGXBMGDIHELK-UHFFFAOYSA-N -1 3 276.311 3.474 20 0 CGADHM COCOc1cnc(F)cc1-c1cc(C)c(F)c([O-])c1 ZINC001244516691 803413445 /nfs/dbraw/zinc/41/34/45/803413445.db2.gz BSRLVUZVKDTLFM-UHFFFAOYSA-N -1 3 281.258 3.024 20 0 CGADHM Cc1cc(-c2ccc3ccc(N)nc3n2)cc([O-])c1F ZINC001244516777 803414250 /nfs/dbraw/zinc/41/42/50/803414250.db2.gz FILZEAZNWVNNGL-UHFFFAOYSA-N -1 3 269.279 3.032 20 0 CGADHM Cc1cc(-c2cnc(OC3CCC3)nc2)cc([O-])c1F ZINC001244524793 803417813 /nfs/dbraw/zinc/41/78/13/803417813.db2.gz GRSGOFJFFANJOO-UHFFFAOYSA-N -1 3 274.295 3.228 20 0 CGADHM Cc1cc(-c2ccc3cc(C(N)=O)cnc3c2)cc([O-])c1F ZINC001244524821 803417857 /nfs/dbraw/zinc/41/78/57/803417857.db2.gz HGAQUMWANKGPFW-UHFFFAOYSA-N -1 3 296.301 3.154 20 0 CGADHM Cc1cc(-c2ccc(=O)n(-c3ccccc3)n2)cc([O-])c1F ZINC001244524420 803417890 /nfs/dbraw/zinc/41/78/90/803417890.db2.gz DSDKBBHIDKEISK-UHFFFAOYSA-N -1 3 296.301 3.053 20 0 CGADHM COCOc1ccc(-c2cc(C)c(F)c([O-])c2)cc1 ZINC001244526024 803419094 /nfs/dbraw/zinc/41/90/94/803419094.db2.gz YCJUISRFVQYPDK-UHFFFAOYSA-N -1 3 262.280 3.489 20 0 CGADHM CCc1nc(OC)ccc1-c1cc(C)c(F)c([O-])c1 ZINC001244525352 803419112 /nfs/dbraw/zinc/41/91/12/803419112.db2.gz LQPNETOVLNSRQE-UHFFFAOYSA-N -1 3 261.296 3.473 20 0 CGADHM Cc1cc(-c2ccn3cnnc3c2)cc(Cl)c1[O-] ZINC001244537622 803424910 /nfs/dbraw/zinc/42/49/10/803424910.db2.gz BGGLHOYYPALBQU-UHFFFAOYSA-N -1 3 259.696 3.064 20 0 CGADHM Cc1nnc2cc(-c3cc(C)c([O-])c(Cl)c3)ccn12 ZINC001244547428 803432075 /nfs/dbraw/zinc/43/20/75/803432075.db2.gz KOMUWLYFJRNIGY-UHFFFAOYSA-N -1 3 273.723 3.372 20 0 CGADHM Cc1cc(-c2cccn3c(=O)ccnc23)cc(Cl)c1[O-] ZINC001244551278 803434337 /nfs/dbraw/zinc/43/43/37/803434337.db2.gz WJDVJGQPFGOMOS-UHFFFAOYSA-N -1 3 286.718 3.029 20 0 CGADHM COCOc1ccc(-c2cc(C)c([O-])c(Cl)c2)cn1 ZINC001244553154 803434935 /nfs/dbraw/zinc/43/49/35/803434935.db2.gz FDUIYIFBIDBWFB-UHFFFAOYSA-N -1 3 279.723 3.399 20 0 CGADHM CC(C)Oc1cccc(F)c1Nc1cc(=O)[n-]c(=S)[nH]1 ZINC001211775203 814941265 /nfs/dbraw/zinc/94/12/65/814941265.db2.gz IURDUBZOXMVPON-UHFFFAOYSA-N -1 3 295.339 3.141 20 0 CGADHM S=c1ccc(-c2cccc(-c3ccncc3)c2)n[n-]1 ZINC001244781353 803529837 /nfs/dbraw/zinc/52/98/37/803529837.db2.gz KOIITJAGKNYBJZ-UHFFFAOYSA-N -1 3 265.341 3.494 20 0 CGADHM COc1c(O)cccc1-c1ccc2c(c1)[N-]C(=S)C2 ZINC001244993364 803608698 /nfs/dbraw/zinc/60/86/98/803608698.db2.gz SLOSKAHISMQENK-UHFFFAOYSA-N -1 3 271.341 3.363 20 0 CGADHM [O-]c1ccc(-c2ccnc(N3CCCC3)n2)c(Cl)c1 ZINC001245077829 803633696 /nfs/dbraw/zinc/63/36/96/803633696.db2.gz HGSLQGJGZNWWLV-UHFFFAOYSA-N -1 3 275.739 3.103 20 0 CGADHM [O-]c1ccc(-c2cc(-c3ncc[nH]3)ccn2)c(Cl)c1 ZINC001245077841 803633765 /nfs/dbraw/zinc/63/37/65/803633765.db2.gz HLBMAZNSYIWWID-UHFFFAOYSA-N -1 3 271.707 3.498 20 0 CGADHM CC(=O)Nc1cccc(-c2ccc([O-])cc2Cl)n1 ZINC001245077628 803633805 /nfs/dbraw/zinc/63/38/05/803633805.db2.gz FRVZPPDVJHEBBM-UHFFFAOYSA-N -1 3 262.696 3.066 20 0 CGADHM Cc1cccc2[nH]c(-c3cc(F)cc(-c4nnn[n-]4)c3)cc21 ZINC001245347225 803707230 /nfs/dbraw/zinc/70/72/30/803707230.db2.gz MGQCLYPUIRMFGG-UHFFFAOYSA-N -1 3 293.305 3.463 20 0 CGADHM Cc1cccc2[nH]c(-c3cc(F)cc(-c4nn[n-]n4)c3)cc21 ZINC001245347225 803707233 /nfs/dbraw/zinc/70/72/33/803707233.db2.gz MGQCLYPUIRMFGG-UHFFFAOYSA-N -1 3 293.305 3.463 20 0 CGADHM Nc1ccc2cc(-c3ccccc3-c3nnn[n-]3)ccc2c1 ZINC001245369339 803716716 /nfs/dbraw/zinc/71/67/16/803716716.db2.gz QZUUUDKGAOHARW-UHFFFAOYSA-N -1 3 287.326 3.269 20 0 CGADHM Nc1ccc2cc(-c3ccccc3-c3nn[n-]n3)ccc2c1 ZINC001245369339 803716721 /nfs/dbraw/zinc/71/67/21/803716721.db2.gz QZUUUDKGAOHARW-UHFFFAOYSA-N -1 3 287.326 3.269 20 0 CGADHM Cn1c2ccccc2nc1Nc1ccc([O-])c(F)c1F ZINC001211997698 814964246 /nfs/dbraw/zinc/96/42/46/814964246.db2.gz GWXKCHOTMGMDEJ-UHFFFAOYSA-N -1 3 275.258 3.301 20 0 CGADHM CCOC(=O)c1ccc(NC(=O)CCCC(C)C)c([O-])c1 ZINC001137937799 803802452 /nfs/dbraw/zinc/80/24/52/803802452.db2.gz KEKJKZAEGNKKMK-UHFFFAOYSA-N -1 3 293.363 3.334 20 0 CGADHM COCCOc1cccc(Nc2ccc([O-])c(F)c2F)c1 ZINC001212010863 814967080 /nfs/dbraw/zinc/96/70/80/814967080.db2.gz DEEKDCKYHRGLHA-UHFFFAOYSA-N -1 3 295.285 3.439 20 0 CGADHM O=c1[nH]oc2ccc(Nc3ccc([O-])c(F)c3F)cc12 ZINC001212013991 814967171 /nfs/dbraw/zinc/96/71/71/814967171.db2.gz UKHIGUFMVZLDDB-UHFFFAOYSA-N -1 3 278.214 3.261 20 0 CGADHM COc1ccc2[nH]c(-c3ccccc3-c3nnn[n-]3)cc2c1 ZINC001245591854 803838843 /nfs/dbraw/zinc/83/88/43/803838843.db2.gz LPMVBYHBPDUZEM-UHFFFAOYSA-N -1 3 291.314 3.024 20 0 CGADHM COc1ccc2[nH]c(-c3ccccc3-c3nn[n-]n3)cc2c1 ZINC001245591854 803838852 /nfs/dbraw/zinc/83/88/52/803838852.db2.gz LPMVBYHBPDUZEM-UHFFFAOYSA-N -1 3 291.314 3.024 20 0 CGADHM COC(=O)c1c(F)cc(-c2c([O-])cccc2F)cc1OC ZINC001245655383 803887621 /nfs/dbraw/zinc/88/76/21/803887621.db2.gz BHKLXQYIEPOQBA-UHFFFAOYSA-N -1 3 294.253 3.133 20 0 CGADHM COC(=O)Cc1ccc(-c2c([O-])cccc2F)cc1F ZINC001245657222 803892690 /nfs/dbraw/zinc/89/26/90/803892690.db2.gz YGZZDJHJVQCPAO-UHFFFAOYSA-N -1 3 278.254 3.053 20 0 CGADHM Fc1c(F)c(-c2ccc(=S)[n-]n2)ccc1Cl ZINC001245739676 803936670 /nfs/dbraw/zinc/93/66/70/803936670.db2.gz VCLBOTVKTJLKEJ-UHFFFAOYSA-N -1 3 258.680 3.364 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)[C@@H]2CCC[C@@H](C)C2)o1 ZINC001212177737 814988214 /nfs/dbraw/zinc/98/82/14/814988214.db2.gz WRVJOTVUJIHTJX-KGYLQXTDSA-N -1 3 285.409 3.081 20 0 CGADHM O=c1cc(-c2nc(-c3cccc4ccccc43)no2)nc[n-]1 ZINC001212360717 815010692 /nfs/dbraw/zinc/01/06/92/815010692.db2.gz IWYWFDOHADFYBS-UHFFFAOYSA-N -1 3 290.282 3.052 20 0 CGADHM C[C@H]1C[C@H](C)CN(Cc2ccc([O-])c(F)c2F)C1 ZINC001140893014 804542202 /nfs/dbraw/zinc/54/22/02/804542202.db2.gz FVLNSYBLIFFVPC-UWVGGRQHSA-N -1 3 255.308 3.148 20 0 CGADHM CCCCC1CCN(Cc2ccc(C(=O)[O-])o2)CC1 ZINC001140944107 804556866 /nfs/dbraw/zinc/55/68/66/804556866.db2.gz QHPHHIXPQFKOTN-UHFFFAOYSA-N -1 3 265.353 3.380 20 0 CGADHM CC(=O)c1ccc(C(=O)Nc2cccc(C3CC3)n2)cc1[O-] ZINC001141294886 804628095 /nfs/dbraw/zinc/62/80/95/804628095.db2.gz LQMYVVFEXWJVKE-UHFFFAOYSA-N -1 3 296.326 3.120 20 0 CGADHM CSc1ccc([O-])c(C(=O)N(C)Cc2cccs2)c1 ZINC001141418897 804639943 /nfs/dbraw/zinc/63/99/43/804639943.db2.gz FBYPCEVMIHDDBH-UHFFFAOYSA-N -1 3 293.413 3.448 20 0 CGADHM O=C(Nc1c([O-])cccc1Cl)c1ccc2cccnc2n1 ZINC001141469682 804644230 /nfs/dbraw/zinc/64/42/30/804644230.db2.gz ZAANZUXSPFHADI-UHFFFAOYSA-N -1 3 299.717 3.241 20 0 CGADHM CSc1ccc([O-])c(C(=O)NCCCC(C)C)c1 ZINC001141528553 804651435 /nfs/dbraw/zinc/65/14/35/804651435.db2.gz AKSMUXBYFWEYBC-UHFFFAOYSA-N -1 3 267.394 3.280 20 0 CGADHM COC[C@@H]1CCCN1Cc1c(Cl)cc([O-])cc1Cl ZINC001142105798 804695246 /nfs/dbraw/zinc/69/52/46/804695246.db2.gz NULYQHVRIXZKIU-VIFPVBQESA-N -1 3 290.190 3.310 20 0 CGADHM [O-]c1c(F)cc(F)cc1Nc1nc(F)ccc1F ZINC001212481876 815036066 /nfs/dbraw/zinc/03/60/66/815036066.db2.gz ONSJYYNHQCMQCO-UHFFFAOYSA-N -1 3 258.174 3.087 20 0 CGADHM C[C@H](Oc1ccccc1)C(=O)Nc1cc([O-])cc(Cl)c1 ZINC001144497727 804996413 /nfs/dbraw/zinc/99/64/13/804996413.db2.gz MRPMJDPIHONKNN-JTQLQIEISA-N -1 3 291.734 3.452 20 0 CGADHM [O-]c1cc(F)c(CN2C[C@@H]3CCCC[C@@H]3C2)c(F)c1 ZINC001144541963 805001168 /nfs/dbraw/zinc/00/11/68/805001168.db2.gz NGMCOGQXCCFCFN-PHIMTYICSA-N -1 3 267.319 3.292 20 0 CGADHM CCC[C@H]1CC[C@H](C(=O)Nc2cc(=O)[n-]c(C)n2)CC1 ZINC001144636584 805017132 /nfs/dbraw/zinc/01/71/32/805017132.db2.gz NGFKMPRKYJFDCA-HAQNSBGRSA-N -1 3 277.368 3.036 20 0 CGADHM C[C@@]1(F)CCCN(Cc2cc(F)c([O-])cc2F)CC1 ZINC001144647887 805021935 /nfs/dbraw/zinc/02/19/35/805021935.db2.gz NXGHKQQQPKWLMA-CQSZACIVSA-N -1 3 273.298 3.385 20 0 CGADHM C[C@@H]1C[C@@H](C)CCN1Cc1cc(F)c([O-])cc1F ZINC001144658255 805025479 /nfs/dbraw/zinc/02/54/79/805025479.db2.gz UQBKSRYIIXJEQK-VHSXEESVSA-N -1 3 255.308 3.291 20 0 CGADHM CN(Cc1cc(F)c([O-])cc1F)C[C@@H]1CC1(C)C ZINC001144657745 805025740 /nfs/dbraw/zinc/02/57/40/805025740.db2.gz GKAPEHLFTPRSBU-JTQLQIEISA-N -1 3 255.308 3.148 20 0 CGADHM [O-]c1cc(F)c(CN2CCc3ccccc3CC2)cc1F ZINC001144667773 805031718 /nfs/dbraw/zinc/03/17/18/805031718.db2.gz ZSDZOCDUNJMYOA-UHFFFAOYSA-N -1 3 289.325 3.271 20 0 CGADHM Cc1ccc(C(=O)Nc2cc3ccccc3oc2=O)c([O-])c1 ZINC001148492226 805188101 /nfs/dbraw/zinc/18/81/01/805188101.db2.gz JCSKXXYRPIOWBT-UHFFFAOYSA-N -1 3 295.294 3.059 20 0 CGADHM Cc1ccc(C(=O)NCC(C)(C)CC2CC2)c([O-])c1 ZINC001148506941 805190755 /nfs/dbraw/zinc/19/07/55/805190755.db2.gz HENYUUFGSZCMPG-UHFFFAOYSA-N -1 3 261.365 3.257 20 0 CGADHM Cc1ccc(C(=O)N[C@H](C)c2cc(F)cc(F)c2)c([O-])c1 ZINC001148505851 805191902 /nfs/dbraw/zinc/19/19/02/805191902.db2.gz JDSHYOXNEXIOEW-SNVBAGLBSA-N -1 3 291.297 3.470 20 0 CGADHM [O-]c1ccc(-c2nc(-c3cncc4ccccc43)no2)nc1 ZINC001212558785 815069384 /nfs/dbraw/zinc/06/93/84/815069384.db2.gz FIKXDBGDPYTBHB-UHFFFAOYSA-N -1 3 290.282 3.052 20 0 CGADHM CCOC(=O)CCCCc1c(Cl)ccc([O-])c1F ZINC001249980990 805340859 /nfs/dbraw/zinc/34/08/59/805340859.db2.gz CTFYQXHJZVSMMQ-UHFFFAOYSA-N -1 3 274.719 3.461 20 0 CGADHM CCCOc1ccc(-c2noc(-c3ccc([O-])cn3)n2)cc1 ZINC001212558802 815069237 /nfs/dbraw/zinc/06/92/37/815069237.db2.gz GLKUAXWGXRFQQS-UHFFFAOYSA-N -1 3 297.314 3.293 20 0 CGADHM O=C(Nc1cccnc1F)c1c([O-])cc2ccccc2c1O ZINC001154023304 805426876 /nfs/dbraw/zinc/42/68/76/805426876.db2.gz SDXTXJNZDPYZAI-UHFFFAOYSA-N -1 3 298.273 3.037 20 0 CGADHM COc1ccc(Nc2ccc(Cl)c([O-])c2)nc1OC ZINC001212588639 815078438 /nfs/dbraw/zinc/07/84/38/815078438.db2.gz WNBABLNQEKTJRF-UHFFFAOYSA-N -1 3 280.711 3.201 20 0 CGADHM O=C1NCc2ccc(Nc3ccc(Cl)c([O-])c3)cc2N1 ZINC001212595118 815080900 /nfs/dbraw/zinc/08/09/00/815080900.db2.gz IGSPHFJQSQQETR-UHFFFAOYSA-N -1 3 289.722 3.424 20 0 CGADHM O=C1Cc2ccc(Nc3ccc(Cl)c([O-])c3)cc2C1 ZINC001212595125 815081362 /nfs/dbraw/zinc/08/13/62/815081362.db2.gz IRJZSUJTBWERBZ-UHFFFAOYSA-N -1 3 273.719 3.457 20 0 CGADHM [O-]c1ccccc1-c1nnc(CSCc2ccncc2)o1 ZINC001166903701 807112366 /nfs/dbraw/zinc/11/23/66/807112366.db2.gz MEPPUUUSZCHXNK-UHFFFAOYSA-N -1 3 299.355 3.271 20 0 CGADHM CC(C)c1ccc(C(=O)NC[C@@H]2CCC[C@H](C)O2)c([O-])c1 ZINC001167155329 807162410 /nfs/dbraw/zinc/16/24/10/807162410.db2.gz WJROZOLABMEYFE-JSGCOSHPSA-N -1 3 291.391 3.203 20 0 CGADHM [O-]c1cncc(-c2nc(-c3cccc(F)c3Cl)no2)c1 ZINC001212708892 815110456 /nfs/dbraw/zinc/11/04/56/815110456.db2.gz VWCGSOFDKIMICO-UHFFFAOYSA-N -1 3 291.669 3.297 20 0 CGADHM O=c1[n-]c(NC[C@H]2C[C@H](F)C2)c(Cl)cc1Cl ZINC001168232761 807359053 /nfs/dbraw/zinc/35/90/53/807359053.db2.gz CEKMLYQOGFSZCB-IZLXSQMJSA-N -1 3 265.115 3.254 20 0 CGADHM [O-]c1cccc2sc(Nc3cc(F)cc(CO)c3)nc21 ZINC001212742715 815121930 /nfs/dbraw/zinc/12/19/30/815121930.db2.gz PTOVZUXLQFXSLC-UHFFFAOYSA-N -1 3 290.319 3.377 20 0 CGADHM O=c1[n-]cncc1-c1nc(-c2ccc3ccccc3c2)no1 ZINC001212754514 815127394 /nfs/dbraw/zinc/12/73/94/815127394.db2.gz AJAXCLCXUTUWIX-UHFFFAOYSA-N -1 3 290.282 3.052 20 0 CGADHM O=S(=O)([N-]c1ccccc1OC1CCCCC1)C1CC1 ZINC001259275865 807677679 /nfs/dbraw/zinc/67/76/79/807677679.db2.gz CJFYBLCPAHXXBK-UHFFFAOYSA-N -1 3 295.404 3.302 20 0 CGADHM O=S(=O)([N-]c1ccccc1)c1ccc(OC(F)F)cc1 ZINC001259423486 807678710 /nfs/dbraw/zinc/67/87/10/807678710.db2.gz ZPJPKPSBXMAWLC-UHFFFAOYSA-N -1 3 299.298 3.089 20 0 CGADHM O=S(=O)(CC1CCCCC1)[N-]c1cc(F)cc(F)c1 ZINC001259613014 807681661 /nfs/dbraw/zinc/68/16/61/807681661.db2.gz PFQZZNCAOQJDBI-UHFFFAOYSA-N -1 3 289.347 3.287 20 0 CGADHM CC/C=C/[N-]S(=O)(=O)c1ccc(-c2ccccn2)s1 ZINC001260538688 807697319 /nfs/dbraw/zinc/69/73/19/807697319.db2.gz GHDVOVYGAVDPFM-XCVCLJGOSA-N -1 3 294.401 3.012 20 0 CGADHM [O-]c1cccnc1CNc1ccc2[nH]c3cccnc3c2c1 ZINC001169733869 807701518 /nfs/dbraw/zinc/70/15/18/807701518.db2.gz ZQQGCVQILNJLDA-UHFFFAOYSA-N -1 3 290.326 3.429 20 0 CGADHM CCOc1c(C)cc(C)cc1NCc1ncccc1[O-] ZINC001169736235 807701897 /nfs/dbraw/zinc/70/18/97/807701897.db2.gz FAJPTHUOAJKOAQ-UHFFFAOYSA-N -1 3 272.348 3.415 20 0 CGADHM CC[C@@H](C)S(=O)(=O)[N-]c1cc(C(C)(C)C)ccc1O ZINC001260739274 807702301 /nfs/dbraw/zinc/70/23/01/807702301.db2.gz GRZDGJKDPMRCDH-SNVBAGLBSA-N -1 3 285.409 3.230 20 0 CGADHM CC[C@H](C)S(=O)(=O)[N-]c1cc(C(C)(C)C)ccc1O ZINC001260739272 807702400 /nfs/dbraw/zinc/70/24/00/807702400.db2.gz GRZDGJKDPMRCDH-JTQLQIEISA-N -1 3 285.409 3.230 20 0 CGADHM CC[C@@H](C)S(=O)(=O)[N-]c1ccccc1OC(C)C ZINC001260738452 807702470 /nfs/dbraw/zinc/70/24/70/807702470.db2.gz NCZWZBXDDOGIBC-LLVKDONJSA-N -1 3 271.382 3.014 20 0 CGADHM [O-]c1ccc(F)c(CNCc2ccc3c(c2)CCC3)c1F ZINC001261245187 807719811 /nfs/dbraw/zinc/71/98/11/807719811.db2.gz SFCVLWPOPPOOTR-UHFFFAOYSA-N -1 3 289.325 3.449 20 0 CGADHM Cc1cnc(F)cc1Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001212848127 815156062 /nfs/dbraw/zinc/15/60/62/815156062.db2.gz BRQMDGJLSJHGMR-UHFFFAOYSA-N -1 3 284.294 3.164 20 0 CGADHM CC[C@@H](Nc1ccc(-c2nnn[n-]2)nc1)c1ccccc1C ZINC001171200387 808007630 /nfs/dbraw/zinc/00/76/30/808007630.db2.gz XFFYLQCGZAOPCB-CQSZACIVSA-N -1 3 294.362 3.133 20 0 CGADHM CC[C@@H](Nc1ccc(-c2nn[n-]n2)nc1)c1ccccc1C ZINC001171200387 808007636 /nfs/dbraw/zinc/00/76/36/808007636.db2.gz XFFYLQCGZAOPCB-CQSZACIVSA-N -1 3 294.362 3.133 20 0 CGADHM Cc1nc(Nc2ccc(Br)cc2F)cc(=O)[n-]1 ZINC001212869091 815167147 /nfs/dbraw/zinc/16/71/47/815167147.db2.gz JCNABIOHUZFLRQ-UHFFFAOYSA-N -1 3 298.115 3.136 20 0 CGADHM Fc1cc2c(c(F)c1F)C[C@@H](NC1=CC=C[CH]1)CC2 ZINC001171517612 808085236 /nfs/dbraw/zinc/08/52/36/808085236.db2.gz PBKPFYZSZJNXAI-NSHDSACASA-N -1 3 264.270 3.209 20 0 CGADHM [O-]c1cc(Cl)cnc1Nc1cccc2[nH]cnc21 ZINC001213028385 815203191 /nfs/dbraw/zinc/20/31/91/815203191.db2.gz NWKRDDMWJYUDFL-UHFFFAOYSA-N -1 3 260.684 3.061 20 0 CGADHM COc1cccc(Nc2ccc([O-])c(F)c2F)c1OC ZINC001174016802 808824334 /nfs/dbraw/zinc/82/43/34/808824334.db2.gz FZIZJYWAJMSAJK-UHFFFAOYSA-N -1 3 281.258 3.431 20 0 CGADHM COCc1cccc(Nc2ncc(Cl)cc2[O-])c1 ZINC001174092839 808859222 /nfs/dbraw/zinc/85/92/22/808859222.db2.gz NNSKKDGCXSMTDB-UHFFFAOYSA-N -1 3 264.712 3.331 20 0 CGADHM COCc1ccccc1Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001174102848 808866547 /nfs/dbraw/zinc/86/65/47/808866547.db2.gz BOXRXBROHYPFRZ-UHFFFAOYSA-N -1 3 295.342 3.468 20 0 CGADHM Cc1ncc(Nc2cccc(OC(C)C)c2)c(=O)[n-]1 ZINC001174113438 808872989 /nfs/dbraw/zinc/87/29/89/808872989.db2.gz UWFSYXRIRGEGKQ-UHFFFAOYSA-N -1 3 259.309 3.021 20 0 CGADHM CCCn1cc([N-]c2nc3ccc(F)cc3o2)cn1 ZINC001174217233 808906260 /nfs/dbraw/zinc/90/62/60/808906260.db2.gz JLNPWRKVHJJEQC-UHFFFAOYSA-N -1 3 260.272 3.317 20 0 CGADHM O=C(c1ccccc1)c1ccc(Nc2cnc[n-]c2=O)cc1 ZINC001174222133 808910577 /nfs/dbraw/zinc/91/05/77/808910577.db2.gz GEHJJKLBSPJSMQ-UHFFFAOYSA-N -1 3 291.310 3.157 20 0 CGADHM [O-]c1cc(F)c(Nc2ccc3n[nH]cc3c2)c(F)c1 ZINC001174275601 808921304 /nfs/dbraw/zinc/92/13/04/808921304.db2.gz CCVOJFIXXMWOKO-UHFFFAOYSA-N -1 3 261.231 3.290 20 0 CGADHM O=c1cc(Nc2ccnc(C(F)(F)F)c2)nc(C2CC2)[n-]1 ZINC001174360814 808976046 /nfs/dbraw/zinc/97/60/46/808976046.db2.gz VXKQIROWMLCLBG-UHFFFAOYSA-N -1 3 296.252 3.217 20 0 CGADHM Cc1cc(S(=O)(=O)[N-]CC2CC(C)C2)sc1Cl ZINC001213214197 815255760 /nfs/dbraw/zinc/25/57/60/815255760.db2.gz WFKSCFHBYJATHT-UHFFFAOYSA-N -1 3 293.841 3.034 20 0 CGADHM Cc1cc(F)cc(Nc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC001174528568 809063607 /nfs/dbraw/zinc/06/36/07/809063607.db2.gz OMHPFMWIMKFBOP-UHFFFAOYSA-N -1 3 259.284 3.251 20 0 CGADHM O=C([O-])Cc1ccc(Nc2ccnc(C3CC3)c2)cc1 ZINC001174948996 809211624 /nfs/dbraw/zinc/21/16/24/809211624.db2.gz FXKFUDHSHDVJGC-UHFFFAOYSA-N -1 3 268.316 3.330 20 0 CGADHM Cc1nc(Cl)c(Nc2cc(F)c([O-])c(F)c2)nc1C ZINC001213375197 815271753 /nfs/dbraw/zinc/27/17/53/815271753.db2.gz SZFDXKZCTFHIKU-UHFFFAOYSA-N -1 3 285.681 3.474 20 0 CGADHM Cc1ccc(Nc2cc(F)c([O-])c(F)c2)c(F)n1 ZINC001213373357 815272105 /nfs/dbraw/zinc/27/21/05/815272105.db2.gz DRPAMJHEMCEILB-UHFFFAOYSA-N -1 3 254.211 3.257 20 0 CGADHM [O-]c1c(F)cc(Nc2nccnc2C2CC2)cc1F ZINC001213371037 815272112 /nfs/dbraw/zinc/27/21/12/815272112.db2.gz UJDDXLLYPZOSLL-UHFFFAOYSA-N -1 3 263.247 3.081 20 0 CGADHM Cc1cccc(N)c1Nc1cc(F)c([O-])c(F)c1 ZINC001213381865 815273978 /nfs/dbraw/zinc/27/39/78/815273978.db2.gz LUBWFIBIGPHZMW-UHFFFAOYSA-N -1 3 250.248 3.305 20 0 CGADHM [O-]c1cc(Cl)cnc1Nc1c(F)cc(O)cc1F ZINC001175095745 809268587 /nfs/dbraw/zinc/26/85/87/809268587.db2.gz LRBQHWHMHFARTE-UHFFFAOYSA-N -1 3 272.638 3.168 20 0 CGADHM Cc1ccc(N)cc1Nc1c(F)cc([O-])cc1F ZINC001175098035 809269981 /nfs/dbraw/zinc/26/99/81/809269981.db2.gz WKPCYBSTGSJAON-UHFFFAOYSA-N -1 3 250.248 3.305 20 0 CGADHM [O-]c1cc(F)c(Nc2ccc(F)c(CO)c2)c(F)c1 ZINC001175099939 809270676 /nfs/dbraw/zinc/27/06/76/809270676.db2.gz HZUCVVRNLCDHDL-UHFFFAOYSA-N -1 3 269.222 3.045 20 0 CGADHM [O-]c1c(F)cc(Nc2ccccc2C2OCCO2)cc1F ZINC001213388642 815275713 /nfs/dbraw/zinc/27/57/13/815275713.db2.gz DWFAGVLNPTXGPL-UHFFFAOYSA-N -1 3 293.269 3.459 20 0 CGADHM O=C1NCc2cc(Nc3c(F)cc([O-])cc3F)ccc2N1 ZINC001175102966 809273283 /nfs/dbraw/zinc/27/32/83/809273283.db2.gz QCQCHSYUFDSVJL-UHFFFAOYSA-N -1 3 291.257 3.049 20 0 CGADHM COC(=O)c1sccc1Nc1c(F)ccc([O-])c1F ZINC001175262257 809327656 /nfs/dbraw/zinc/32/76/56/809327656.db2.gz AQJNFULDTGSBCS-UHFFFAOYSA-N -1 3 285.271 3.262 20 0 CGADHM [O-]c1ccc(F)c(Nc2cnn(CC(F)(F)F)c2)c1F ZINC001175262048 809328371 /nfs/dbraw/zinc/32/83/71/809328371.db2.gz ZBKBJSCIJCXHSJ-UHFFFAOYSA-N -1 3 293.195 3.173 20 0 CGADHM Cn1nc2c(c1Nc1c(F)ccc([O-])c1F)CCCC2 ZINC001175262979 809328900 /nfs/dbraw/zinc/32/89/00/809328900.db2.gz FXMBIRQNJOPXBF-UHFFFAOYSA-N -1 3 279.290 3.026 20 0 CGADHM Cn1ccc2cc(Nc3c(F)ccc([O-])c3F)cnc21 ZINC001175262774 809329122 /nfs/dbraw/zinc/32/91/22/809329122.db2.gz KRVDKKLOQQFXEV-UHFFFAOYSA-N -1 3 275.258 3.301 20 0 CGADHM [O-]c1ccc(F)c(Nc2cn3nc(Cl)ccc3n2)c1F ZINC001175262935 809329304 /nfs/dbraw/zinc/32/93/04/809329304.db2.gz DSTYPWSROQELIQ-UHFFFAOYSA-N -1 3 296.664 3.110 20 0 CGADHM [O-]c1ccc(F)c(Nc2cc(Cl)nc3ccnn32)c1F ZINC001175265965 809331293 /nfs/dbraw/zinc/33/12/93/809331293.db2.gz NLSHFWLTKRXNOQ-UHFFFAOYSA-N -1 3 296.664 3.110 20 0 CGADHM [O-]c1ccc(F)c(Nc2cc(F)ncc2F)c1F ZINC001175265591 809331742 /nfs/dbraw/zinc/33/17/42/809331742.db2.gz HOXINQSXYNSMOX-UHFFFAOYSA-N -1 3 258.174 3.087 20 0 CGADHM COC(=O)c1ccc(Nc2c(F)ccc([O-])c2F)c(F)c1 ZINC001175267903 809332086 /nfs/dbraw/zinc/33/20/86/809332086.db2.gz CAJGJUMYBPFBQI-UHFFFAOYSA-N -1 3 297.232 3.340 20 0 CGADHM [O-]c1ccc(F)c(Nc2ccc3c(c2)CCO3)c1F ZINC001175268999 809332156 /nfs/dbraw/zinc/33/21/56/809332156.db2.gz VQGSECRPUBBOFI-UHFFFAOYSA-N -1 3 263.243 3.349 20 0 CGADHM Nc1ccccc1C(=S)Nc1c(F)ccc([O-])c1F ZINC001175268820 809333011 /nfs/dbraw/zinc/33/30/11/809333011.db2.gz XQIQRCPFFYVCIJ-UHFFFAOYSA-N -1 3 280.299 3.040 20 0 CGADHM Cc1cc(N)c(Nc2c(F)ccc([O-])c2F)cc1F ZINC001175268153 809333174 /nfs/dbraw/zinc/33/31/74/809333174.db2.gz IVEYICAZXRIDLB-UHFFFAOYSA-N -1 3 268.238 3.444 20 0 CGADHM Nc1ccc(F)c2ccn(-c3c(F)ccc([O-])c3F)c21 ZINC001175271111 809333973 /nfs/dbraw/zinc/33/39/73/809333973.db2.gz SGUYGPKOEUOYCE-UHFFFAOYSA-N -1 3 278.233 3.336 20 0 CGADHM CC(C)(F)c1cc([N-]C(=O)c2cc3ncccc3o2)no1 ZINC001289939611 809396981 /nfs/dbraw/zinc/39/69/81/809396981.db2.gz NAKQKSBERKVOGL-UHFFFAOYSA-N -1 3 289.266 3.273 20 0 CGADHM c1ccc2ncc(Nc3ccc(-c4nn[n-]n4)cc3)cc2c1 ZINC001175423966 809400599 /nfs/dbraw/zinc/40/05/99/809400599.db2.gz ZCIDDQHMFVVSJE-UHFFFAOYSA-N -1 3 288.314 3.159 20 0 CGADHM CCc1ccc(C(=O)NCCCOc2ccccc2)c([O-])c1 ZINC001290357529 809406304 /nfs/dbraw/zinc/40/63/04/809406304.db2.gz ACEUDXHEOOADMC-UHFFFAOYSA-N -1 3 299.370 3.154 20 0 CGADHM C[S@](=O)c1ccc(Nc2cc([O-])c(F)cc2F)cc1 ZINC001175476300 809421137 /nfs/dbraw/zinc/42/11/37/809421137.db2.gz LPMYTFUWYLUSIQ-IBGZPJMESA-N -1 3 283.299 3.151 20 0 CGADHM Cc1cccc(-c2noc(-c3cc(Cl)n[n-]3)n2)c1C ZINC001213500977 815292173 /nfs/dbraw/zinc/29/21/73/815292173.db2.gz VEKQIELTZPMONM-UHFFFAOYSA-N -1 3 274.711 3.397 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)CCc1ccc(SC)cc1 ZINC001298606858 809534525 /nfs/dbraw/zinc/53/45/25/809534525.db2.gz KYCUUVBFWUIQCK-GFCCVEGCSA-N -1 3 281.421 3.435 20 0 CGADHM CCCn1nc(C)cc1Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001175799591 809546400 /nfs/dbraw/zinc/54/64/00/809546400.db2.gz BGSCZZVCRDSMOF-UHFFFAOYSA-N -1 3 297.362 3.236 20 0 CGADHM Cc1nocc1NC(=O)c1cc2sccc2c([O-])c1 ZINC001300165825 809563607 /nfs/dbraw/zinc/56/36/07/809563607.db2.gz IJMJIBJPVCZPIO-UHFFFAOYSA-N -1 3 274.301 3.156 20 0 CGADHM Cc1cncc(Nc2cc(=O)n(-c3ccccc3)[n-]2)c1C ZINC001213527459 815299322 /nfs/dbraw/zinc/29/93/22/815299322.db2.gz LYGDRCACKYYUHO-UHFFFAOYSA-N -1 3 280.331 3.333 20 0 CGADHM C[C@@H](CC(=O)[N-]Oc1ccc(F)cc1)c1ccccc1 ZINC001300514299 809569637 /nfs/dbraw/zinc/56/96/37/809569637.db2.gz IZBLLEZQEAIDKX-LBPRGKRZSA-N -1 3 273.307 3.430 20 0 CGADHM C[C@H]1CCCC[C@@H]1CC(=O)[N-]Oc1ccccc1F ZINC001303333266 809608434 /nfs/dbraw/zinc/60/84/34/809608434.db2.gz YVJQCZZGXYONAB-NWDGAFQWSA-N -1 3 265.328 3.452 20 0 CGADHM O=C(Nc1ccc(F)c([O-])c1)[C@@H]1CCC(=O)c2ccccc21 ZINC001178925157 809894399 /nfs/dbraw/zinc/89/43/99/809894399.db2.gz FNOAWMAXQBMCPM-CYBMUJFWSA-N -1 3 299.301 3.230 20 0 CGADHM COc1cccc(C2CC2)c1Nc1cc(=O)[n-]c(C)n1 ZINC001213812250 815335235 /nfs/dbraw/zinc/33/52/35/815335235.db2.gz UGHGERFYMXIXQP-UHFFFAOYSA-N -1 3 271.320 3.120 20 0 CGADHM COc1cccc(C2CC2)c1Nc1cc(=O)[n-]c(=S)[nH]1 ZINC001213813661 815335389 /nfs/dbraw/zinc/33/53/89/815335389.db2.gz RJWVBPFJFLXDEP-UHFFFAOYSA-N -1 3 289.360 3.101 20 0 CGADHM Cc1ccc(C)c(C(=O)CCC(=O)Nc2cncc([O-])c2)c1 ZINC001181468693 810054889 /nfs/dbraw/zinc/05/48/89/810054889.db2.gz WXVNYNSGDNPRDB-UHFFFAOYSA-N -1 3 298.342 3.006 20 0 CGADHM CCOC(=O)c1nonc1[N-]c1ccc2sccc2c1 ZINC001213926082 815346402 /nfs/dbraw/zinc/34/64/02/815346402.db2.gz HWNOYKRSYFXBCN-UHFFFAOYSA-N -1 3 289.316 3.205 20 0 CGADHM CC[C@@H](C)C(=O)C(=O)Nc1cc2ccccc2cc1[O-] ZINC001184322300 810192114 /nfs/dbraw/zinc/19/21/14/810192114.db2.gz NYHMCRBGFNZNMJ-SNVBAGLBSA-N -1 3 271.316 3.099 20 0 CGADHM CSc1ccccc1NC(=O)Nc1cncc([O-])c1 ZINC001186713658 810357818 /nfs/dbraw/zinc/35/78/18/810357818.db2.gz PFISZBDQQFUWEA-UHFFFAOYSA-N -1 3 275.333 3.153 20 0 CGADHM Cc1cccc([O-])c1C(=O)Nc1ccc(O)c(C)c1C ZINC001188648970 810499060 /nfs/dbraw/zinc/49/90/60/810499060.db2.gz OTHMCOCIYOSHNJ-UHFFFAOYSA-N -1 3 271.316 3.275 20 0 CGADHM Cc1cccnc1[C@H](NC(=O)c1c(C)cccc1[O-])C1CC1 ZINC001188660282 810500810 /nfs/dbraw/zinc/50/08/10/810500810.db2.gz YEHZMKLVICGLLC-QGZVFWFLSA-N -1 3 296.370 3.285 20 0 CGADHM COC(=O)c1cnc(SC2C[C@@H](C)C[C@H](C)C2)[n-]1 ZINC001189166466 810546297 /nfs/dbraw/zinc/54/62/97/810546297.db2.gz OZRNUUCXHQOAJR-IUCAKERBSA-N -1 3 268.382 3.113 20 0 CGADHM CC(C)CCC[C@H](C)NC(=O)c1ccc(=O)[n-]c1Cl ZINC001190918460 810657332 /nfs/dbraw/zinc/65/73/32/810657332.db2.gz WLYMSMZUSVMERF-JTQLQIEISA-N -1 3 284.787 3.385 20 0 CGADHM O=S(=O)(CC1CCCC1)[N-]c1cccc2ccncc21 ZINC001191526604 810723469 /nfs/dbraw/zinc/72/34/69/810723469.db2.gz HMNXWLONXDYYGJ-UHFFFAOYSA-N -1 3 290.388 3.167 20 0 CGADHM CC(C)(C)c1ccc(C(=O)N[C@H]2CC23CCC3)c([O-])c1 ZINC001192340108 810787830 /nfs/dbraw/zinc/78/78/30/810787830.db2.gz NYPLNCLKWLTXBQ-AWEZNQCLSA-N -1 3 273.376 3.362 20 0 CGADHM CC(C)(C)c1ccc(C(=O)N[C@H]2C[C@@H]2C2CC2)c([O-])c1 ZINC001192341282 810787998 /nfs/dbraw/zinc/78/79/98/810787998.db2.gz WJDWCSCBWZDCCQ-KGLIPLIRSA-N -1 3 273.376 3.218 20 0 CGADHM CC(=O)c1cccc([O-])c1NC(=O)c1ccsc1C ZINC001193379137 810881719 /nfs/dbraw/zinc/88/17/19/810881719.db2.gz VRTFGQVHGOUAAO-UHFFFAOYSA-N -1 3 275.329 3.217 20 0 CGADHM COC(=O)c1ccc(NC(=O)OC2CCCCC2)c([O-])c1 ZINC001193629042 810923352 /nfs/dbraw/zinc/92/33/52/810923352.db2.gz AJTPAUKDQBZPPA-UHFFFAOYSA-N -1 3 293.319 3.060 20 0 CGADHM C[Si](C)(C)CNC(=O)c1ccc([O-])cc1C(F)(F)F ZINC001193757867 810948471 /nfs/dbraw/zinc/94/84/71/810948471.db2.gz HDBKDIRWPKVGCT-UHFFFAOYSA-N -1 3 291.345 3.018 20 0 CGADHM Cc1cc(O)cc([O-])c1C(=O)Nc1ccc2ccncc2c1 ZINC001193937714 810981459 /nfs/dbraw/zinc/98/14/59/810981459.db2.gz XYZJIBVIBRZIEO-UHFFFAOYSA-N -1 3 294.310 3.207 20 0 CGADHM CCCOC(=O)Nc1cc(Br)ccc1[O-] ZINC001194118076 811018070 /nfs/dbraw/zinc/01/80/70/811018070.db2.gz JVXVHWOQSXFBHL-UHFFFAOYSA-N -1 3 274.114 3.113 20 0 CGADHM CN(C)c1ccc(Nc2cc(F)c([O-])c(Cl)c2)cn1 ZINC001214479615 815415403 /nfs/dbraw/zinc/41/54/03/815415403.db2.gz BVNOITGWRZURQY-UHFFFAOYSA-N -1 3 281.718 3.389 20 0 CGADHM Cc1ncc(Nc2c(Cl)ccc([O-])c2F)nc1C ZINC001214555970 815423233 /nfs/dbraw/zinc/42/32/33/815423233.db2.gz CVWPZJJULXJIDD-UHFFFAOYSA-N -1 3 267.691 3.335 20 0 CGADHM CC(C)c1cccnc1NC(=O)c1cnc(C(F)(F)F)[n-]1 ZINC001194773768 811131720 /nfs/dbraw/zinc/13/17/20/811131720.db2.gz WBNZSFYODNKTAA-UHFFFAOYSA-N -1 3 298.268 3.199 20 0 CGADHM Cc1ccc(N)c2nn(-c3c(Cl)ccc([O-])c3F)cc21 ZINC001214559186 815425006 /nfs/dbraw/zinc/42/50/06/815425006.db2.gz JFBQRXOEWPXOBQ-UHFFFAOYSA-N -1 3 291.713 3.414 20 0 CGADHM CCc1nnc([N-]c2c(F)ccc(OC)c2OC)s1 ZINC001214689597 815443246 /nfs/dbraw/zinc/44/32/46/815443246.db2.gz UXFOXXUJUQCPRN-UHFFFAOYSA-N -1 3 283.328 3.000 20 0 CGADHM Cc1cc(C(=O)Nc2ccc(F)c([O-])c2)nn1C1CCC1 ZINC001197436823 811422391 /nfs/dbraw/zinc/42/23/91/811422391.db2.gz ICWFJHUOOLXMIY-UHFFFAOYSA-N -1 3 289.310 3.014 20 0 CGADHM CCc1cc(Nc2cc(C(=O)[O-])c(Cl)cc2F)ccn1 ZINC001214740992 815447188 /nfs/dbraw/zinc/44/71/88/815447188.db2.gz ZIKWKFWSMGZXRH-UHFFFAOYSA-N -1 3 294.713 3.300 20 0 CGADHM [O-]c1ccc(NC(=S)NC2CCCC2)cc1Cl ZINC001198549196 811514332 /nfs/dbraw/zinc/51/43/32/811514332.db2.gz KYTWQNFGCQJNNB-UHFFFAOYSA-N -1 3 270.785 3.275 20 0 CGADHM C=CS(=O)(=O)[N-]c1ccccc1Oc1ccccc1 ZINC001198608609 811524945 /nfs/dbraw/zinc/52/49/45/811524945.db2.gz BDOQYKIIBFQZRU-UHFFFAOYSA-N -1 3 275.329 3.364 20 0 CGADHM Cc1cc2cc[nH]c2c(C(=O)Nc2nc(C)ccc2[O-])c1 ZINC001198677761 811533867 /nfs/dbraw/zinc/53/38/67/811533867.db2.gz YSVYUSRIQSOTNN-UHFFFAOYSA-N -1 3 281.315 3.138 20 0 CGADHM [O-]c1cccc(Cl)c1NC(=S)NCc1ccco1 ZINC001200568161 811713380 /nfs/dbraw/zinc/71/33/80/811713380.db2.gz SODFABYUSWBWCA-UHFFFAOYSA-N -1 3 282.752 3.125 20 0 CGADHM O=c1cc(NC2=CCSCC2)[n-]n1-c1ccccc1 ZINC001201333188 811813901 /nfs/dbraw/zinc/81/39/01/811813901.db2.gz RHTHTDPGEGYSRV-UHFFFAOYSA-N -1 3 273.361 3.011 20 0 CGADHM CC(=O)c1cccc(Cl)c1Nc1cncc([O-])c1 ZINC001201648798 811931483 /nfs/dbraw/zinc/93/14/83/811931483.db2.gz NDQYNOPERHSBDM-UHFFFAOYSA-N -1 3 262.696 3.387 20 0 CGADHM Cc1ccc(-c2noc(-c3c([O-])cccc3O)n2)c(F)c1 ZINC001215299705 815504447 /nfs/dbraw/zinc/50/44/47/815504447.db2.gz ALALWXCYMMFNET-UHFFFAOYSA-N -1 3 286.262 3.262 20 0 CGADHM Cc1ccc(NC(=O)Nc2cncc([O-])c2)cc1C ZINC001202816459 812179029 /nfs/dbraw/zinc/17/90/29/812179029.db2.gz MSJFGQVHAJVKEF-UHFFFAOYSA-N -1 3 257.293 3.048 20 0 CGADHM CC(C)(C)c1nnc([N-]c2cc3[nH]ncc3c(F)c2)o1 ZINC001215553467 815532152 /nfs/dbraw/zinc/53/21/52/815532152.db2.gz XSPDDAVEERXRBW-UHFFFAOYSA-N -1 3 275.287 3.126 20 0 CGADHM [O-]c1cc(F)c(Nc2cn3ccccc3n2)cc1F ZINC001215572534 815537017 /nfs/dbraw/zinc/53/70/17/815537017.db2.gz IUMFQTUZSHITBR-UHFFFAOYSA-N -1 3 261.231 3.062 20 0 CGADHM Cc1cc(Nc2cc(F)c([O-])cc2F)n(CC2CC2)n1 ZINC001215572531 815537255 /nfs/dbraw/zinc/53/72/55/815537255.db2.gz IQZYQNMEGHIOLR-UHFFFAOYSA-N -1 3 279.290 3.329 20 0 CGADHM [O-]c1cc(F)c(Nc2cn(CC3CC3)cn2)cc1F ZINC001215572767 815538703 /nfs/dbraw/zinc/53/87/03/815538703.db2.gz VAYKNVXGZGFIJB-UHFFFAOYSA-N -1 3 265.263 3.021 20 0 CGADHM Oc1ccc(-c2ccc(=S)[n-]n2)c(C(F)(F)F)c1 ZINC001205080393 812851861 /nfs/dbraw/zinc/85/18/61/812851861.db2.gz XDDVWNLVTXMYER-UHFFFAOYSA-N -1 3 272.251 3.157 20 0 CGADHM COc1cc(Cl)cc(-c2ccccc2-c2nnn[n-]2)c1 ZINC001205129633 812879735 /nfs/dbraw/zinc/87/97/35/812879735.db2.gz PJCCKIDETWKQFP-UHFFFAOYSA-N -1 3 286.722 3.196 20 0 CGADHM COc1cc(Cl)cc(-c2ccccc2-c2nn[n-]n2)c1 ZINC001205129633 812879746 /nfs/dbraw/zinc/87/97/46/812879746.db2.gz PJCCKIDETWKQFP-UHFFFAOYSA-N -1 3 286.722 3.196 20 0 CGADHM [O-]c1ccc(-c2nncc3ccc(F)cc32)c(F)c1 ZINC001206029431 813171562 /nfs/dbraw/zinc/17/15/62/813171562.db2.gz ATKZDFFHLJEQFC-UHFFFAOYSA-N -1 3 258.227 3.281 20 0 CGADHM [O-]c1ccc(-c2cnc(-c3ccco3)cn2)c(F)c1 ZINC001206029539 813171872 /nfs/dbraw/zinc/17/18/72/813171872.db2.gz BZHYAMNZXKIMNJ-UHFFFAOYSA-N -1 3 256.236 3.248 20 0 CGADHM CCOc1cc(-c2ccc([O-])cc2F)nc(SC)n1 ZINC001206030268 813172340 /nfs/dbraw/zinc/17/23/40/813172340.db2.gz SRBDHRPDRZALAL-UHFFFAOYSA-N -1 3 280.324 3.109 20 0 CGADHM [O-]c1ccc(-c2nc(C3CC3)nc3c2CCC3)c(F)c1 ZINC001206045026 813179299 /nfs/dbraw/zinc/17/92/99/813179299.db2.gz WRSJJMWJTLALFW-UHFFFAOYSA-N -1 3 270.307 3.354 20 0 CGADHM Cc1cc2cccnc2c(-c2ccc([O-])cc2F)n1 ZINC001206044309 813179434 /nfs/dbraw/zinc/17/94/34/813179434.db2.gz JCVNQHZNVBIXTH-UHFFFAOYSA-N -1 3 254.264 3.450 20 0 CGADHM COc1ccc2nc(-c3ccc([O-])cc3F)c(C)nc2c1 ZINC001206044117 813179446 /nfs/dbraw/zinc/17/94/46/813179446.db2.gz FNPYKICRJLGOJC-UHFFFAOYSA-N -1 3 284.290 3.459 20 0 CGADHM CCCSc1cncc(-c2ccc([O-])cc2F)n1 ZINC001206044243 813179907 /nfs/dbraw/zinc/17/99/07/813179907.db2.gz GKZKWPXMSYKPMF-UHFFFAOYSA-N -1 3 264.325 3.490 20 0 CGADHM [O-]c1ccc(-c2cnc(C(F)(F)F)nc2)c(F)c1 ZINC001206051980 813183389 /nfs/dbraw/zinc/18/33/89/813183389.db2.gz VQTNQODCUUBZTG-UHFFFAOYSA-N -1 3 258.174 3.007 20 0 CGADHM COCc1ccc(F)c(-c2ccc([O-])cc2F)c1 ZINC001206064943 813188458 /nfs/dbraw/zinc/18/84/58/813188458.db2.gz WAKLJIAOOOMSON-UHFFFAOYSA-N -1 3 250.244 3.484 20 0 CGADHM CCOC(=O)c1c(OC)cccc1-c1ccc([O-])cc1F ZINC001206089158 813197512 /nfs/dbraw/zinc/19/75/12/813197512.db2.gz WMTDLTFXOKXWLY-UHFFFAOYSA-N -1 3 290.290 3.384 20 0 CGADHM COC(=O)c1nc2nc(C=Cc3ccc(C)cc3)ccc2[n-]1 ZINC001206168380 813223391 /nfs/dbraw/zinc/22/33/91/813223391.db2.gz KNWHCKNFDPNRRG-BQYQJAHWSA-N -1 3 293.326 3.223 20 0 CGADHM COC(=O)c1nc2ccc(C=Cc3ccc(C)cc3)nc2[n-]1 ZINC001206168380 813223395 /nfs/dbraw/zinc/22/33/95/813223395.db2.gz KNWHCKNFDPNRRG-BQYQJAHWSA-N -1 3 293.326 3.223 20 0 CGADHM COC(=O)c1nc2ccc(C=Cc3ccc(C)cc3)[n-]c-2n1 ZINC001206168380 813223401 /nfs/dbraw/zinc/22/34/01/813223401.db2.gz KNWHCKNFDPNRRG-BQYQJAHWSA-N -1 3 293.326 3.223 20 0 CGADHM CCCCCC[N-]S(=O)(=O)c1cc(C)c(F)cc1F ZINC001207980465 813683836 /nfs/dbraw/zinc/68/38/36/813683836.db2.gz BTMWTULFKRGNAM-UHFFFAOYSA-N -1 3 291.363 3.132 20 0 CGADHM CCCCOc1cccc(Nc2cnc(C)[n-]c2=O)c1 ZINC001208636961 813780898 /nfs/dbraw/zinc/78/08/98/813780898.db2.gz IBAFQTMUQNOBRH-UHFFFAOYSA-N -1 3 273.336 3.413 20 0 CGADHM CCCOc1ccc(Nc2cc(=O)[n-]c(C)n2)cc1 ZINC001209868343 814178218 /nfs/dbraw/zinc/17/82/18/814178218.db2.gz UWAPFULYSILOBI-UHFFFAOYSA-N -1 3 259.309 3.023 20 0 CGADHM Fc1ccc2oc(-c3ccc(-c4nnn[n-]4)cc3)cc2c1 ZINC001242706590 823106865 /nfs/dbraw/zinc/10/68/65/823106865.db2.gz BJPSYWZDHPLCIR-UHFFFAOYSA-N -1 3 280.262 3.419 20 0 CGADHM Fc1ccc2oc(-c3ccc(-c4nn[n-]n4)cc3)cc2c1 ZINC001242706590 823106869 /nfs/dbraw/zinc/10/68/69/823106869.db2.gz BJPSYWZDHPLCIR-UHFFFAOYSA-N -1 3 280.262 3.419 20 0 CGADHM [O-]c1c(Cl)cccc1Nc1noc2cccnc21 ZINC001210217196 814347548 /nfs/dbraw/zinc/34/75/48/814347548.db2.gz UWHMIYPTZDLSAB-UHFFFAOYSA-N -1 3 261.668 3.325 20 0 CGADHM [O-]c1c(Cl)cccc1Nc1ccc(F)cc1CO ZINC001210223601 814350472 /nfs/dbraw/zinc/35/04/72/814350472.db2.gz UKMWTJATTJTQLR-UHFFFAOYSA-N -1 3 267.687 3.421 20 0 CGADHM Cc1nnc([N-]c2ccc3c(cnn3[C@@H]3CCCCO3)c2)o1 ZINC001210331257 814410055 /nfs/dbraw/zinc/41/00/55/814410055.db2.gz GUTKFKFCILVAOJ-AWEZNQCLSA-N -1 3 299.334 3.170 20 0 CGADHM [O-]c1cc(Nc2cnn(C(F)(F)F)c2)c(F)cc1F ZINC001210363518 814423416 /nfs/dbraw/zinc/42/34/16/814423416.db2.gz YVYQCUOPNASUMC-UHFFFAOYSA-N -1 3 279.168 3.087 20 0 CGADHM CC(C)n1nccc1Nc1ncc(Br)cc1[O-] ZINC001210511342 814500065 /nfs/dbraw/zinc/50/00/65/814500065.db2.gz JGTBFABXLKJNGE-UHFFFAOYSA-N -1 3 297.156 3.071 20 0 CGADHM CC(C)(C)c1nc([N-]c2ccc3ocnc3c2)no1 ZINC001210570419 814533565 /nfs/dbraw/zinc/53/35/65/814533565.db2.gz UWFUKWLTDGKVCX-UHFFFAOYSA-N -1 3 258.281 3.252 20 0 CGADHM Cc1oncc1Nc1cccc([O-])c1Br ZINC001210585772 814543271 /nfs/dbraw/zinc/54/32/71/814543271.db2.gz KSVDNHFTPPATAL-UHFFFAOYSA-N -1 3 269.098 3.195 20 0 CGADHM C[C@@H](O)c1ccc(Nc2ccc([O-])c(F)c2F)cc1 ZINC001210647888 814571005 /nfs/dbraw/zinc/57/10/05/814571005.db2.gz BRKZOUQTPMOGSM-MRVPVSSYSA-N -1 3 265.259 3.467 20 0 CGADHM Cn1nc(Nc2cccc([O-])c2Cl)c2cccnc21 ZINC001210844860 814649473 /nfs/dbraw/zinc/64/94/73/814649473.db2.gz ODUYMOHTWKIZTQ-UHFFFAOYSA-N -1 3 274.711 3.071 20 0 CGADHM Nc1ccnc(Cl)c1Nc1cccc([O-])c1Cl ZINC001210852275 814650774 /nfs/dbraw/zinc/65/07/74/814650774.db2.gz ZNJGJRASRKQBAL-UHFFFAOYSA-N -1 3 270.119 3.420 20 0 CGADHM Fc1cc(-c2ccc(-c3nnn[n-]3)cc2)cc(F)c1Cl ZINC001242796172 823135470 /nfs/dbraw/zinc/13/54/70/823135470.db2.gz AQKSHOIVUVBLDS-UHFFFAOYSA-N -1 3 292.676 3.465 20 0 CGADHM Fc1cc(-c2ccc(-c3nn[n-]n3)cc2)cc(F)c1Cl ZINC001242796172 823135473 /nfs/dbraw/zinc/13/54/73/823135473.db2.gz AQKSHOIVUVBLDS-UHFFFAOYSA-N -1 3 292.676 3.465 20 0 CGADHM CCc1cnn2cc(Nc3cccc([O-])c3Cl)cnc12 ZINC001210854851 814651987 /nfs/dbraw/zinc/65/19/87/814651987.db2.gz CEJSFAXRXGXTTE-UHFFFAOYSA-N -1 3 288.738 3.394 20 0 CGADHM COC(=O)c1cc(N)cc(Nc2cccc([O-])c2Cl)c1 ZINC001210854116 814652067 /nfs/dbraw/zinc/65/20/67/814652067.db2.gz ARKCMVZFAYMOGP-UHFFFAOYSA-N -1 3 292.722 3.158 20 0 CGADHM [O-]c1cccc(Nc2cnc(OCC3CC3)nc2)c1Cl ZINC001210855440 814652231 /nfs/dbraw/zinc/65/22/31/814652231.db2.gz NTZOXQNVIFZAQL-UHFFFAOYSA-N -1 3 291.738 3.368 20 0 CGADHM COc1cc(OC)c(Nc2cccc([O-])c2Cl)cn1 ZINC001210855283 814652355 /nfs/dbraw/zinc/65/23/55/814652355.db2.gz MELSGSMKODYYIY-UHFFFAOYSA-N -1 3 280.711 3.201 20 0 CGADHM COc1cc(N)ccc1Nc1cccc([O-])c1Cl ZINC001210854914 814652590 /nfs/dbraw/zinc/65/25/90/814652590.db2.gz NDLSCCPKTQLGKG-UHFFFAOYSA-N -1 3 264.712 3.380 20 0 CGADHM NC(=O)Nc1cccc(Nc2cccc([O-])c2Cl)c1 ZINC001210859933 814653315 /nfs/dbraw/zinc/65/33/15/814653315.db2.gz MXFUPUORUJKUBA-UHFFFAOYSA-N -1 3 277.711 3.280 20 0 CGADHM CCCn1nccc1Nc1cc(F)c([O-])c(F)c1 ZINC001210916934 814673981 /nfs/dbraw/zinc/67/39/81/814673981.db2.gz KVQBFXXEHIVITG-UHFFFAOYSA-N -1 3 253.252 3.021 20 0 CGADHM Cc1nonc1[N-]c1cc2c(nc(C)n2C(C)C)c(F)c1 ZINC001210923787 814676927 /nfs/dbraw/zinc/67/69/27/814676927.db2.gz KIYLMVGGVWEANQ-UHFFFAOYSA-N -1 3 289.314 3.500 20 0 CGADHM Nc1cc(Cl)cc2c1cnn2-c1ccc(F)c([O-])c1 ZINC001211219975 814854329 /nfs/dbraw/zinc/85/43/29/814854329.db2.gz WBROMKSKZDIJGB-UHFFFAOYSA-N -1 3 277.686 3.106 20 0 CGADHM Nc1ccc2cn(-c3ccc(F)c([O-])c3)nc2c1Cl ZINC001211220907 814855274 /nfs/dbraw/zinc/85/52/74/814855274.db2.gz MDSNNJCNURCYFV-UHFFFAOYSA-N -1 3 277.686 3.106 20 0 CGADHM Cc1cnccc1Nc1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC001211476283 814896168 /nfs/dbraw/zinc/89/61/68/814896168.db2.gz CZEKEAAYGDIJMQ-UHFFFAOYSA-N -1 3 296.248 3.273 20 0 CGADHM CCN(CC)c1cc(F)cc(Nc2cnc(C)[n-]c2=O)c1 ZINC001216183545 815724914 /nfs/dbraw/zinc/72/49/14/815724914.db2.gz RFNPSSXBWIZKRE-UHFFFAOYSA-N -1 3 290.342 3.220 20 0 CGADHM Cc1ncc(Nc2c(C)cc(F)cc2Cl)c(=O)[n-]1 ZINC001216403315 815814932 /nfs/dbraw/zinc/81/49/32/815814932.db2.gz CXTVKLUEVQLBNG-UHFFFAOYSA-N -1 3 267.691 3.335 20 0 CGADHM CC(=O)c1cccc(Nc2cc(=O)[n-]c(C3CC3)n2)c1F ZINC001216497923 815842814 /nfs/dbraw/zinc/84/28/14/815842814.db2.gz XTSVZQVCMXCVBE-UHFFFAOYSA-N -1 3 287.294 3.145 20 0 CGADHM O=C([O-])Cc1ccc(F)c(Nc2ccnc(C3CC3)c2)c1 ZINC001216681256 815892448 /nfs/dbraw/zinc/89/24/48/815892448.db2.gz RHZWCSDEYJCXDU-UHFFFAOYSA-N -1 3 286.306 3.469 20 0 CGADHM [O-]c1cc(-c2ccnc(OCC3CC3)c2)ccc1F ZINC001243046806 823223819 /nfs/dbraw/zinc/22/38/19/823223819.db2.gz LYVIZXMEIULSDB-UHFFFAOYSA-N -1 3 259.280 3.382 20 0 CGADHM COC(=O)c1cccc(C)c1-c1ccc(F)c([O-])c1 ZINC001243048111 823224647 /nfs/dbraw/zinc/22/46/47/823224647.db2.gz GVBXMGZSRWNVNX-UHFFFAOYSA-N -1 3 260.264 3.293 20 0 CGADHM [O-]c1cc(-c2cc(C(F)(F)F)ncn2)ccc1F ZINC001243052391 823228723 /nfs/dbraw/zinc/22/87/23/823228723.db2.gz YHWMXSBBSFWBKZ-UHFFFAOYSA-N -1 3 258.174 3.007 20 0 CGADHM [O-]c1cc(-c2cc(OC(F)(F)F)ccn2)ccc1F ZINC001243048553 823225987 /nfs/dbraw/zinc/22/59/87/823225987.db2.gz GETBEWWIFDSSRB-UHFFFAOYSA-N -1 3 273.185 3.492 20 0 CGADHM CC(=O)Nc1ccc(-c2ccc(F)c([O-])c2)cc1F ZINC001243050242 823226638 /nfs/dbraw/zinc/22/66/38/823226638.db2.gz UKAKYHXDJOATSU-UHFFFAOYSA-N -1 3 263.243 3.296 20 0 CGADHM O=C1NCCC[C@H]1c1ccc(-c2ccc(F)c([O-])c2)cc1 ZINC001243052097 823228393 /nfs/dbraw/zinc/22/83/93/823228393.db2.gz XTUCNXBDFQXXEX-AWEZNQCLSA-N -1 3 285.318 3.192 20 0 CGADHM [O-]c1cc(-c2ccc3c(c2)CCC32OCCO2)ccc1F ZINC001243051971 823228440 /nfs/dbraw/zinc/22/84/40/823228440.db2.gz ULQMWMOJQXOPLJ-UHFFFAOYSA-N -1 3 286.302 3.344 20 0 CGADHM COc1ccc(-c2ccc(F)c([O-])c2)cc1NC(C)=O ZINC001243060922 823232167 /nfs/dbraw/zinc/23/21/67/823232167.db2.gz AUASGAGOFFWCPB-UHFFFAOYSA-N -1 3 275.279 3.165 20 0 CGADHM COC(=O)c1c(C)cc(F)cc1-c1ccc(F)c([O-])c1 ZINC001243060911 823232185 /nfs/dbraw/zinc/23/21/85/823232185.db2.gz AILQDXJXUNVWAL-UHFFFAOYSA-N -1 3 278.254 3.432 20 0 CGADHM [O-]c1coc2cc(O[C@H]3CCCc4cccnc43)ccc12 ZINC001225339959 817016068 /nfs/dbraw/zinc/01/60/68/817016068.db2.gz XSVLSTIRARICMO-HNNXBMFYSA-N -1 3 281.311 3.113 20 0 CGADHM C[C@H](Oc1cc(C(F)(F)F)[n-]c(=S)n1)C(F)(F)F ZINC001225850763 817196225 /nfs/dbraw/zinc/19/62/25/817196225.db2.gz NPCGPGMXHTVYCP-VKHMYHEASA-N -1 3 292.204 3.114 20 0 CGADHM CC(=O)c1ccc([O-])c(O[C@H](C)c2ncccc2F)c1 ZINC001225993684 817241352 /nfs/dbraw/zinc/24/13/52/817241352.db2.gz JLGJCXDKWAOHFY-SNVBAGLBSA-N -1 3 275.279 3.269 20 0 CGADHM CC(=O)c1ccc([O-])c(O[C@@H](C)c2ccncc2F)c1 ZINC001225993593 817242598 /nfs/dbraw/zinc/24/25/98/817242598.db2.gz HYSSFCJSMJPXAO-JTQLQIEISA-N -1 3 275.279 3.269 20 0 CGADHM CC(=O)c1ccc([O-])c(O[C@@H](C)CC(=O)OC(C)(C)C)c1 ZINC001225998439 817243270 /nfs/dbraw/zinc/24/32/70/817243270.db2.gz KRKRGKHUDOPJQD-JTQLQIEISA-N -1 3 294.347 3.094 20 0 CGADHM FC1(F)CC[C@H](Oc2[n-]c(=S)ncc2C2CC2)C1 ZINC001226125977 817279417 /nfs/dbraw/zinc/27/94/17/817279417.db2.gz ZLDNVKCKPBCBHS-QMMMGPOBSA-N -1 3 272.320 3.209 20 0 CGADHM Cc1nnc(=O)[n-]c1O[C@@H](C)c1cc2ccccc2s1 ZINC001226460692 817364508 /nfs/dbraw/zinc/36/45/08/817364508.db2.gz FWNLUWSMNKJAPC-VIFPVBQESA-N -1 3 287.344 3.240 20 0 CGADHM CCc1nc(O[C@@H](C)c2ccc(F)cc2)cc(=O)[n-]1 ZINC001226471153 817367708 /nfs/dbraw/zinc/36/77/08/817367708.db2.gz ASARPLMOLVGHDB-VIFPVBQESA-N -1 3 262.284 3.024 20 0 CGADHM O=c1ccc2ccc([O-])c(O[C@H]3CCC(F)(F)C3)c2o1 ZINC001226600550 817410169 /nfs/dbraw/zinc/41/01/69/817410169.db2.gz XWIDFPPHJUDCDN-VIFPVBQESA-N -1 3 282.242 3.065 20 0 CGADHM C[C@@H](Oc1cccc([O-])c1Cl)C(=O)OC(C)(C)C ZINC001226709143 817440732 /nfs/dbraw/zinc/44/07/32/817440732.db2.gz MOGUEQYDLPDNEA-MRVPVSSYSA-N -1 3 272.728 3.155 20 0 CGADHM [O-]c1cccc(OC[C@H]2COc3ccccc3O2)c1Cl ZINC001226710974 817442556 /nfs/dbraw/zinc/44/25/56/817442556.db2.gz FYMWYQYRRCVNMD-SNVBAGLBSA-N -1 3 292.718 3.264 20 0 CGADHM Cc1cc(O[C@@H](C)c2cccc(F)c2)[n-]c(=S)n1 ZINC001226801460 817469796 /nfs/dbraw/zinc/46/97/96/817469796.db2.gz OLJZUYQBPMYYGE-VIFPVBQESA-N -1 3 264.325 3.353 20 0 CGADHM Cc1cc(O[C@H]2CCc3ccccc32)[n-]c(=S)n1 ZINC001226801069 817470178 /nfs/dbraw/zinc/47/01/78/817470178.db2.gz MYOXDQMQEREOSR-LBPRGKRZSA-N -1 3 258.346 3.140 20 0 CGADHM Fc1cc2c(c(F)c1)CC[C@H]2Oc1ccnc(=S)[n-]1 ZINC001226942109 817511371 /nfs/dbraw/zinc/51/13/71/817511371.db2.gz IGVCPSAYGARUEK-LLVKDONJSA-N -1 3 280.299 3.110 20 0 CGADHM CCc1cnc(=S)[n-]c1O[C@H](c1cccnc1)C1CC1 ZINC001227062093 817548491 /nfs/dbraw/zinc/54/84/91/817548491.db2.gz SDULEXGRXWFJCN-ZDUSSCGKSA-N -1 3 287.388 3.253 20 0 CGADHM C[C@H](COC(C)(C)C)Oc1cc(=O)cc(C(F)(F)F)[n-]1 ZINC001227586777 817677879 /nfs/dbraw/zinc/67/78/79/817677879.db2.gz PCLHCGFXFCXRFA-MRVPVSSYSA-N -1 3 293.285 3.388 20 0 CGADHM Cc1cccc2c1CC[C@@H]2Oc1[nH]c(=S)nc2nc[n-]c21 ZINC001227612951 817681882 /nfs/dbraw/zinc/68/18/82/817681882.db2.gz MYDATYIWQKFJBR-NSHDSACASA-N -1 3 298.371 3.016 20 0 CGADHM CC(=O)[C@H](Oc1ncc(Cl)cc1[O-])c1ccccc1 ZINC001227979312 817769941 /nfs/dbraw/zinc/76/99/41/817769941.db2.gz BTPZAOWWCHRWHK-ZDUSSCGKSA-N -1 3 277.707 3.150 20 0 CGADHM CCCc1c([O-])ccc(C(C)=O)c1OC[C@@H]1CC[C@H](C)O1 ZINC001228134376 817819618 /nfs/dbraw/zinc/81/96/18/817819618.db2.gz OSIAKRSNZOOLSY-AAEUAGOBSA-N -1 3 292.375 3.494 20 0 CGADHM CCCc1c([O-])ccc(C(C)=O)c1OC[C@@H](CC)OC ZINC001228135163 817819727 /nfs/dbraw/zinc/81/97/27/817819727.db2.gz XBMRTQZZEPEZFA-GFCCVEGCSA-N -1 3 280.364 3.351 20 0 CGADHM Cc1cc(=O)oc2c1ccc([O-])c2O[C@@H]1CC[C@H](C)C1 ZINC001228621531 817956642 /nfs/dbraw/zinc/95/66/42/817956642.db2.gz BSXYRGIEBCIUNN-GXSJLCMTSA-N -1 3 274.316 3.374 20 0 CGADHM CCC[C@@H](Oc1nnc(-c2cccnc2)[n-]1)[C@@H](C)CC ZINC001228697370 817977453 /nfs/dbraw/zinc/97/74/53/817977453.db2.gz IAECNKNTIGNPIM-WCQYABFASA-N -1 3 274.368 3.460 20 0 CGADHM CCC[C@@H](Oc1nc(-c2cccnc2)n[n-]1)[C@@H](C)CC ZINC001228697370 817977460 /nfs/dbraw/zinc/97/74/60/817977460.db2.gz IAECNKNTIGNPIM-WCQYABFASA-N -1 3 274.368 3.460 20 0 CGADHM CCC[C@@H](Oc1n[n-]c(-c2cccnc2)n1)[C@@H](C)CC ZINC001228697370 817977468 /nfs/dbraw/zinc/97/74/68/817977468.db2.gz IAECNKNTIGNPIM-WCQYABFASA-N -1 3 274.368 3.460 20 0 CGADHM CC[C@H](Oc1nnc(-c2cccnc2)[n-]1)C(C)(C)C ZINC001228698595 817978868 /nfs/dbraw/zinc/97/88/68/817978868.db2.gz QXEPVZWQXPFTKI-NSHDSACASA-N -1 3 260.341 3.070 20 0 CGADHM CC[C@H](Oc1nc(-c2cccnc2)n[n-]1)C(C)(C)C ZINC001228698595 817978876 /nfs/dbraw/zinc/97/88/76/817978876.db2.gz QXEPVZWQXPFTKI-NSHDSACASA-N -1 3 260.341 3.070 20 0 CGADHM CC[C@H](Oc1n[n-]c(-c2cccnc2)n1)C(C)(C)C ZINC001228698595 817978881 /nfs/dbraw/zinc/97/88/81/817978881.db2.gz QXEPVZWQXPFTKI-NSHDSACASA-N -1 3 260.341 3.070 20 0 CGADHM C[C@H]1CC(Oc2n[n-]c(-c3ccncc3)n2)C[C@H](C)C1 ZINC001228698399 817980107 /nfs/dbraw/zinc/98/01/07/817980107.db2.gz XTEHSBOZZAAAMX-GHMZBOCLSA-N -1 3 272.352 3.070 20 0 CGADHM O=C1CCc2cc([O-])c(O[C@@H]3C[C@H]4CC[C@@H]3C4)cc21 ZINC001228854935 818023352 /nfs/dbraw/zinc/02/33/52/818023352.db2.gz ZLOASFLZMBPHDR-ZVWUFJHRSA-N -1 3 258.317 3.089 20 0 CGADHM C[C@H](Oc1cc2c(cc1[O-])CCC2=O)c1ncccc1F ZINC001228853691 818023599 /nfs/dbraw/zinc/02/35/99/818023599.db2.gz JSPORJFDXCAQEV-VIFPVBQESA-N -1 3 287.290 3.195 20 0 CGADHM [O-]c1ccc(CN2Cc3ccncc3C2)cc1C(F)(F)F ZINC001231523535 818120430 /nfs/dbraw/zinc/12/04/30/818120430.db2.gz ZKNXQQAMCKJNIN-UHFFFAOYSA-N -1 3 294.276 3.322 20 0 CGADHM CCN(Cc1cccc(F)c1F)Cc1nc(C)ccc1[O-] ZINC001231674900 818156362 /nfs/dbraw/zinc/15/63/62/818156362.db2.gz JUEIBEIIIYIQER-UHFFFAOYSA-N -1 3 292.329 3.396 20 0 CGADHM COCC[C@@H]1CCCCN1Cc1ccc(F)c([O-])c1F ZINC001232936554 818477011 /nfs/dbraw/zinc/47/70/11/818477011.db2.gz SZJZXWJEEFDENH-LBPRGKRZSA-N -1 3 285.334 3.061 20 0 CGADHM [O-]c1cccc(CN2CC[C@](CF)(C(F)(F)F)C2)c1F ZINC001233050598 818511466 /nfs/dbraw/zinc/51/14/66/818511466.db2.gz QTOUGNUVXDKGLB-GFCCVEGCSA-N -1 3 295.251 3.255 20 0 CGADHM COc1ccc(CN2CC[C@@H](C)[C@H](F)C2)c(Cl)c1[O-] ZINC001233398058 818610038 /nfs/dbraw/zinc/61/00/38/818610038.db2.gz WKRYUAPXICDWMW-MWLCHTKSSA-N -1 3 287.762 3.234 20 0 CGADHM Cc1cc([O-])c(Cl)cc1OC1CCC(=O)CC1 ZINC001233593351 818652746 /nfs/dbraw/zinc/65/27/46/818652746.db2.gz WMGZLJXXFHHAMM-UHFFFAOYSA-N -1 3 254.713 3.245 20 0 CGADHM Cc1cc([O-])c(Cl)cc1O[C@H]1CCCCC1=O ZINC001233596212 818654249 /nfs/dbraw/zinc/65/42/49/818654249.db2.gz WMTQQTSHXATWQC-LBPRGKRZSA-N -1 3 254.713 3.245 20 0 CGADHM C[C@H](COCc1ccccc1)Oc1ccc2occ([O-])c2c1 ZINC001233677141 818677567 /nfs/dbraw/zinc/67/75/67/818677567.db2.gz GFDCHCZUUBWZAR-CYBMUJFWSA-N -1 3 298.338 3.246 20 0 CGADHM C[C@@H]1CCC[C@H](C)[C@H]1Oc1ccc2occ([O-])c2c1 ZINC001233681123 818678686 /nfs/dbraw/zinc/67/86/86/818678686.db2.gz SIXCPOCGRCSNBN-CDMJZVDBSA-N -1 3 260.333 3.465 20 0 CGADHM CCOC(=O)[C@@H](Oc1cccc([O-])c1F)c1ccccc1 ZINC001233867820 818720643 /nfs/dbraw/zinc/72/06/43/818720643.db2.gz JIZDOVFHZYAASJ-HNNXBMFYSA-N -1 3 290.290 3.215 20 0 CGADHM COC(=O)C[C@H]1CCC[C@H](Oc2cccc([O-])c2F)C1 ZINC001233873398 818721681 /nfs/dbraw/zinc/72/16/81/818721681.db2.gz XYPQPAVGKVXZDO-QWRGUYRKSA-N -1 3 282.311 3.032 20 0 CGADHM CCCCOC(=O)[C@H](C)Oc1c(Cl)ccc([O-])c1F ZINC001234266153 818821160 /nfs/dbraw/zinc/82/11/60/818821160.db2.gz ZCBSOMNBKAQIKJ-QMMMGPOBSA-N -1 3 290.718 3.295 20 0 CGADHM CC(C)(C)N1CC(Oc2c(Cl)ccc([O-])c2F)C1 ZINC001234264287 818821243 /nfs/dbraw/zinc/82/12/43/818821243.db2.gz PSOAXKNPULTNJP-UHFFFAOYSA-N -1 3 273.735 3.046 20 0 CGADHM C[C@H](Oc1nc2c(cccc2[O-])[nH]1)c1cccc(N(C)C)c1 ZINC001234446282 818857050 /nfs/dbraw/zinc/85/70/50/818857050.db2.gz FQCFZIURLKBDIS-NSHDSACASA-N -1 3 297.358 3.475 20 0 CGADHM C[C@@H](Oc1c([O-])cc(Cl)cc1F)C(=O)OC(C)(C)C ZINC001234445913 818857202 /nfs/dbraw/zinc/85/72/02/818857202.db2.gz CFHGAMFUHBJDLR-SSDOTTSWSA-N -1 3 290.718 3.294 20 0 CGADHM Cc1cnc(F)c([C@@H](C)Oc2nc3c(cccc3[O-])[nH]2)c1 ZINC001234452199 818859138 /nfs/dbraw/zinc/85/91/38/818859138.db2.gz LTHIDLOPXQXKAK-SECBINFHSA-N -1 3 287.294 3.251 20 0 CGADHM COc1cc([O-])c(C)c(OC2CCCC2)c1C(C)=O ZINC001234790189 818924048 /nfs/dbraw/zinc/92/40/48/818924048.db2.gz FGVCVATVEMRJEY-UHFFFAOYSA-N -1 3 264.321 3.233 20 0 CGADHM CCOc1ncc(F)c(-c2cc([O-])cc(Cl)c2)n1 ZINC001235899103 819209171 /nfs/dbraw/zinc/20/91/71/819209171.db2.gz DLFOBFDGODLEJS-UHFFFAOYSA-N -1 3 268.675 3.040 20 0 CGADHM COc1cnc(-c2cc([O-])cc(Cl)c2)nc1NC(C)C ZINC001235898810 819209804 /nfs/dbraw/zinc/20/98/04/819209804.db2.gz DEVAHVWDIUIELH-UHFFFAOYSA-N -1 3 293.754 3.332 20 0 CGADHM CCOc1cc(-c2cc([O-])cc(Cl)c2)nc(C)n1 ZINC001235900389 819210722 /nfs/dbraw/zinc/21/07/22/819210722.db2.gz NBRZCZYCQURHDD-UHFFFAOYSA-N -1 3 264.712 3.210 20 0 CGADHM [O-]c1cc(Cl)cc(-c2cnc3ncccc3n2)c1 ZINC001235900069 819211111 /nfs/dbraw/zinc/21/11/11/819211111.db2.gz LASHGFYGXXOQNI-UHFFFAOYSA-N -1 3 257.680 3.051 20 0 CGADHM Cc1cc(-c2cc([O-])cc(Cl)c2)nc(-c2ncccn2)n1 ZINC001235900265 819211342 /nfs/dbraw/zinc/21/13/42/819211342.db2.gz MDTKADAHEHCJIA-UHFFFAOYSA-N -1 3 298.733 3.268 20 0 CGADHM Clc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001236092536 819310061 /nfs/dbraw/zinc/31/00/61/819310061.db2.gz ZXQQYRHPSQOOBU-UHFFFAOYSA-N -1 3 256.696 3.187 20 0 CGADHM Clc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001236092536 819310067 /nfs/dbraw/zinc/31/00/67/819310067.db2.gz ZXQQYRHPSQOOBU-UHFFFAOYSA-N -1 3 256.696 3.187 20 0 CGADHM COc1nc(SC)ncc1-c1c(F)ccc(C)c1[O-] ZINC001236403996 819453456 /nfs/dbraw/zinc/45/34/56/819453456.db2.gz BCKCXBUZNVRECI-UHFFFAOYSA-N -1 3 280.324 3.027 20 0 CGADHM COC(=O)c1cccc(F)c1-c1c(F)ccc(C)c1[O-] ZINC001236405992 819454713 /nfs/dbraw/zinc/45/47/13/819454713.db2.gz NWLXSGVFGOHNHP-UHFFFAOYSA-N -1 3 278.254 3.432 20 0 CGADHM Cc1nc2cncc(-c3c(F)ccc(C)c3[O-])c2o1 ZINC001236415013 819460646 /nfs/dbraw/zinc/46/06/46/819460646.db2.gz OHAVPGVBMQGKDU-UHFFFAOYSA-N -1 3 258.252 3.351 20 0 CGADHM COc1nc(C(C)C)ccc1-c1cccc(-c2nnn[n-]2)c1 ZINC001236446399 819482359 /nfs/dbraw/zinc/48/23/59/819482359.db2.gz ONHZFBGAPFOHIK-UHFFFAOYSA-N -1 3 295.346 3.061 20 0 CGADHM COc1nc(C(C)C)ccc1-c1cccc(-c2nn[n-]n2)c1 ZINC001236446399 819482362 /nfs/dbraw/zinc/48/23/62/819482362.db2.gz ONHZFBGAPFOHIK-UHFFFAOYSA-N -1 3 295.346 3.061 20 0 CGADHM CC(C)Nc1ccc(-c2ccc(-c3nnn[n-]3)c(F)c2)cc1 ZINC001236489650 819501803 /nfs/dbraw/zinc/50/18/03/819501803.db2.gz WGNSNFWVDXKSCP-UHFFFAOYSA-N -1 3 297.337 3.493 20 0 CGADHM CC(C)Nc1ccc(-c2ccc(-c3nn[n-]n3)c(F)c2)cc1 ZINC001236489650 819501807 /nfs/dbraw/zinc/50/18/07/819501807.db2.gz WGNSNFWVDXKSCP-UHFFFAOYSA-N -1 3 297.337 3.493 20 0 CGADHM Cc1cc([C@H]2CCCN2Cc2ccc(F)c([O-])c2)no1 ZINC001236701018 819574383 /nfs/dbraw/zinc/57/43/83/819574383.db2.gz AKFNHGAZUMSCQA-CQSZACIVSA-N -1 3 276.311 3.165 20 0 CGADHM Cc1cccc2c1ncnc2-c1cccc([O-])c1F ZINC001243542072 823436014 /nfs/dbraw/zinc/43/60/14/823436014.db2.gz GHITWRLWPZQVQO-UHFFFAOYSA-N -1 3 254.264 3.450 20 0 CGADHM COC(=O)C(C)(C)c1ccnc(-c2cccc([O-])c2F)c1 ZINC001243545573 823438125 /nfs/dbraw/zinc/43/81/25/823438125.db2.gz MQLREQLUECQGPZ-UHFFFAOYSA-N -1 3 289.306 3.044 20 0 CGADHM [O-]c1cccc(-c2ccc(C3OCCO3)cc2)c1F ZINC001243545091 823438274 /nfs/dbraw/zinc/43/82/74/823438274.db2.gz QUSLHTFDIWACOB-UHFFFAOYSA-N -1 3 260.264 3.244 20 0 CGADHM COCOc1ccc(C)cc1-c1cccc([O-])c1F ZINC001243546822 823438860 /nfs/dbraw/zinc/43/88/60/823438860.db2.gz IZORLCPOSFYRIZ-UHFFFAOYSA-N -1 3 262.280 3.489 20 0 CGADHM C[C@H]1CCc2nnc(-c3cccc([O-])c3F)cc2C1 ZINC001243546930 823438892 /nfs/dbraw/zinc/43/88/92/823438892.db2.gz RHPCTIAUJMLBCT-VIFPVBQESA-N -1 3 258.296 3.113 20 0 CGADHM [O-]c1cccc(-c2ccc(OC(F)(F)F)nc2)c1F ZINC001243547259 823439607 /nfs/dbraw/zinc/43/96/07/823439607.db2.gz PMIIJXBPXZIALM-UHFFFAOYSA-N -1 3 273.185 3.492 20 0 CGADHM [O-]c1cccc(-c2cccnc2OC(F)F)c1F ZINC001243546962 823439622 /nfs/dbraw/zinc/43/96/22/823439622.db2.gz VZQPTYGCSCJVJC-UHFFFAOYSA-N -1 3 255.195 3.195 20 0 CGADHM [O-]c1cc(-c2cc(-n3ccnc3)ccn2)ccc1Cl ZINC001243577934 823452098 /nfs/dbraw/zinc/45/20/98/823452098.db2.gz DXHRVXMABPIIQY-UHFFFAOYSA-N -1 3 271.707 3.293 20 0 CGADHM Cc1cc(-c2ccc(=S)[n-]n2)cnc1OCC(C)C ZINC001238919937 820154950 /nfs/dbraw/zinc/15/49/50/820154950.db2.gz IDFQGXSSIHWBKZ-UHFFFAOYSA-N -1 3 275.377 3.171 20 0 CGADHM CC(C)n1nccc(-c2ccc(C(F)(F)F)cc2[O-])c1=O ZINC001243611962 823466811 /nfs/dbraw/zinc/46/68/11/823466811.db2.gz SRWJQUGZWILDJU-UHFFFAOYSA-N -1 3 298.264 3.216 20 0 CGADHM CCOc1ccc(-c2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC001239564929 820416558 /nfs/dbraw/zinc/41/65/58/820416558.db2.gz QHJNDSPNSPNSLZ-UHFFFAOYSA-N -1 3 280.331 3.241 20 0 CGADHM CCOc1ccc(-c2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC001239564929 820416562 /nfs/dbraw/zinc/41/65/62/820416562.db2.gz QHJNDSPNSPNSLZ-UHFFFAOYSA-N -1 3 280.331 3.241 20 0 CGADHM Cc1cccc(-c2ccc(-c3nnn[n-]3)c(F)c2)c1C ZINC001239716805 820543483 /nfs/dbraw/zinc/54/34/83/820543483.db2.gz WLLWJGREQXQCEB-UHFFFAOYSA-N -1 3 268.295 3.290 20 0 CGADHM Cc1cccc(-c2ccc(-c3nn[n-]n3)c(F)c2)c1C ZINC001239716805 820543485 /nfs/dbraw/zinc/54/34/85/820543485.db2.gz WLLWJGREQXQCEB-UHFFFAOYSA-N -1 3 268.295 3.290 20 0 CGADHM Cc1cc(F)ccc1-c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001239741703 820564385 /nfs/dbraw/zinc/56/43/85/820564385.db2.gz LAJXRADCGGPYDU-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM Cc1cc(F)ccc1-c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001239741703 820564389 /nfs/dbraw/zinc/56/43/89/820564389.db2.gz LAJXRADCGGPYDU-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM c1ccc2ncc(-c3ccccc3-c3nnn[n-]3)cc2c1 ZINC001239794164 820608986 /nfs/dbraw/zinc/60/89/86/820608986.db2.gz OMVGLGVORLXRFX-UHFFFAOYSA-N -1 3 273.299 3.082 20 0 CGADHM c1ccc2ncc(-c3ccccc3-c3nn[n-]n3)cc2c1 ZINC001239794164 820608992 /nfs/dbraw/zinc/60/89/92/820608992.db2.gz OMVGLGVORLXRFX-UHFFFAOYSA-N -1 3 273.299 3.082 20 0 CGADHM CC(C)Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001239960034 820739480 /nfs/dbraw/zinc/73/94/80/820739480.db2.gz IWRNVLJLEWPKNL-UHFFFAOYSA-N -1 3 280.331 3.321 20 0 CGADHM CC(C)Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001239960034 820739485 /nfs/dbraw/zinc/73/94/85/820739485.db2.gz IWRNVLJLEWPKNL-UHFFFAOYSA-N -1 3 280.331 3.321 20 0 CGADHM c1cc(-c2ccc(-c3nnn[n-]3)cc2)cc(N2CCCC2)c1 ZINC001240539945 821132813 /nfs/dbraw/zinc/13/28/13/821132813.db2.gz WRMHDRYYVOPTPM-UHFFFAOYSA-N -1 3 291.358 3.134 20 0 CGADHM c1cc(-c2ccc(-c3nn[n-]n3)cc2)cc(N2CCCC2)c1 ZINC001240539945 821132816 /nfs/dbraw/zinc/13/28/16/821132816.db2.gz WRMHDRYYVOPTPM-UHFFFAOYSA-N -1 3 291.358 3.134 20 0 CGADHM [O-]c1ccc(-c2ccc(C3OCCO3)cc2)cc1F ZINC001240785475 821324548 /nfs/dbraw/zinc/32/45/48/821324548.db2.gz ADNGDUMHJQQFFO-UHFFFAOYSA-N -1 3 260.264 3.244 20 0 CGADHM [O-]c1ccc(-c2ccc(-n3ccnc3)cc2)cc1F ZINC001240785652 821325018 /nfs/dbraw/zinc/32/50/18/821325018.db2.gz LEKJBGYVZQFUKA-UHFFFAOYSA-N -1 3 254.264 3.384 20 0 CGADHM [O-]c1ccc(-c2ccnc(-c3cncs3)n2)cc1F ZINC001240786496 821327415 /nfs/dbraw/zinc/32/74/15/821327415.db2.gz VUHBMMILOVDFCI-UHFFFAOYSA-N -1 3 273.292 3.112 20 0 CGADHM [O-]c1ccc(-c2ccc3nnc(C4CC4)n3c2)cc1F ZINC001240787863 821328174 /nfs/dbraw/zinc/32/81/74/821328174.db2.gz UKNBQVPYKSYSKX-UHFFFAOYSA-N -1 3 269.279 3.118 20 0 CGADHM COCOc1ccc(OC)cc1-c1ccc([O-])c(F)c1 ZINC001240787636 821328518 /nfs/dbraw/zinc/32/85/18/821328518.db2.gz MLOGPDDVVKDILX-UHFFFAOYSA-N -1 3 278.279 3.190 20 0 CGADHM CN1CCOc2ccc(-c3ccc([O-])c(F)c3)cc21 ZINC001240788615 821330634 /nfs/dbraw/zinc/33/06/34/821330634.db2.gz IUQHHQGSRAMRMJ-UHFFFAOYSA-N -1 3 259.280 3.027 20 0 CGADHM CCOC(=O)c1cc(C)c(-c2ccc([O-])c(F)c2)cn1 ZINC001240790588 821333439 /nfs/dbraw/zinc/33/34/39/821333439.db2.gz PLGDPUBNONHIHQ-UHFFFAOYSA-N -1 3 275.279 3.078 20 0 CGADHM COc1nnc(-c2ccccc2[O-])c2ccccc21 ZINC001241008130 821485924 /nfs/dbraw/zinc/48/59/24/821485924.db2.gz KRBYKBDUIUEHFI-UHFFFAOYSA-N -1 3 252.273 3.011 20 0 CGADHM CCOc1cc(-c2cccc(-c3nnn[n-]3)c2)ccc1F ZINC001241069775 821538444 /nfs/dbraw/zinc/53/84/44/821538444.db2.gz CZYYOBYIFRERLX-UHFFFAOYSA-N -1 3 284.294 3.072 20 0 CGADHM CCOc1cc(-c2cccc(-c3nn[n-]n3)c2)ccc1F ZINC001241069775 821538449 /nfs/dbraw/zinc/53/84/49/821538449.db2.gz CZYYOBYIFRERLX-UHFFFAOYSA-N -1 3 284.294 3.072 20 0 CGADHM CCOc1cc(-c2ccc(-c3nnn[n-]3)cc2C)ccc1F ZINC001241070904 821539016 /nfs/dbraw/zinc/53/90/16/821539016.db2.gz DTAYWHJHIVWRME-UHFFFAOYSA-N -1 3 298.321 3.380 20 0 CGADHM CCOc1cc(-c2ccc(-c3nn[n-]n3)cc2C)ccc1F ZINC001241070904 821539021 /nfs/dbraw/zinc/53/90/21/821539021.db2.gz DTAYWHJHIVWRME-UHFFFAOYSA-N -1 3 298.321 3.380 20 0 CGADHM COc1cc(C)c(-c2ccc(Cc3nnn[n-]3)cc2)cc1C ZINC001241137791 821592344 /nfs/dbraw/zinc/59/23/44/821592344.db2.gz KCHFHRSATTUWMR-UHFFFAOYSA-N -1 3 294.358 3.083 20 0 CGADHM COc1cc(C)c(-c2ccc(Cc3nn[n-]n3)cc2)cc1C ZINC001241137791 821592347 /nfs/dbraw/zinc/59/23/47/821592347.db2.gz KCHFHRSATTUWMR-UHFFFAOYSA-N -1 3 294.358 3.083 20 0 CGADHM CSc1cc(-c2cc([O-])cc(F)c2)ncc1F ZINC001241255751 821676317 /nfs/dbraw/zinc/67/63/17/821676317.db2.gz BWJQTHSJMFRHIP-UHFFFAOYSA-N -1 3 253.273 3.454 20 0 CGADHM COc1ccc2ncnc(-c3cc([O-])cc(F)c3)c2c1 ZINC001241257976 821678377 /nfs/dbraw/zinc/67/83/77/821678377.db2.gz QVRSFPBTMBNLHW-UHFFFAOYSA-N -1 3 270.263 3.150 20 0 CGADHM COC(=O)c1cc2cc(-c3cc([O-])cc(F)c3)ccc2[nH]1 ZINC001241266380 821685551 /nfs/dbraw/zinc/68/55/51/821685551.db2.gz HORKNKVNJMRACY-UHFFFAOYSA-N -1 3 285.274 3.466 20 0 CGADHM COC(=O)c1ccc(-c2cc([O-])cc(F)c2)cc1C ZINC001241266111 821685696 /nfs/dbraw/zinc/68/56/96/821685696.db2.gz DYSCIUNLLBPJNA-UHFFFAOYSA-N -1 3 260.264 3.293 20 0 CGADHM COC(=O)c1ccc(F)cc1-c1cc([O-])cc(F)c1 ZINC001241266897 821686592 /nfs/dbraw/zinc/68/65/92/821686592.db2.gz NXRKQTZNBRZGIY-UHFFFAOYSA-N -1 3 264.227 3.124 20 0 CGADHM COc1cc(-c2cc([O-])cc(F)c2)cc(F)c1F ZINC001241267069 821686634 /nfs/dbraw/zinc/68/66/34/821686634.db2.gz SPAHMSBIINBQPO-UHFFFAOYSA-N -1 3 254.207 3.485 20 0 CGADHM [O-]c1cc(F)cc(-c2ccc(F)c(C3OCCO3)c2)c1 ZINC001241271621 821689483 /nfs/dbraw/zinc/68/94/83/821689483.db2.gz ICAYOHABEPZTFU-UHFFFAOYSA-N -1 3 278.254 3.383 20 0 CGADHM [O-]c1cc(F)cc(-c2ccc(Cn3ccnc3)cc2)c1 ZINC001241271072 821690151 /nfs/dbraw/zinc/69/01/51/821690151.db2.gz KPYBELDPLCYFDJ-UHFFFAOYSA-N -1 3 268.291 3.443 20 0 CGADHM COC(=O)c1c(C)c(OC)ccc1-c1cc([O-])cc(F)c1 ZINC001241272703 821691119 /nfs/dbraw/zinc/69/11/19/821691119.db2.gz WYWQGEHVTDDZSR-UHFFFAOYSA-N -1 3 290.290 3.302 20 0 CGADHM COC(=O)c1cc(F)c(-c2cc([O-])cc(F)c2)cc1F ZINC001241277346 821696559 /nfs/dbraw/zinc/69/65/59/821696559.db2.gz JDNIYNQRNHETJY-UHFFFAOYSA-N -1 3 282.217 3.263 20 0 CGADHM CCOC(=O)COc1ccccc1-c1cc([O-])cc(F)c1 ZINC001241278200 821696664 /nfs/dbraw/zinc/69/66/64/821696664.db2.gz WUSZJRXSJOSICJ-UHFFFAOYSA-N -1 3 290.290 3.140 20 0 CGADHM O=C1OCc2ccc(-c3c(F)ccc([O-])c3F)cc21 ZINC001241292942 821710931 /nfs/dbraw/zinc/71/09/31/821710931.db2.gz OIAMQXFWMUEXDJ-UHFFFAOYSA-N -1 3 262.211 3.008 20 0 CGADHM CCc1c(F)cncc1-c1c(F)ccc([O-])c1F ZINC001241292801 821710967 /nfs/dbraw/zinc/71/09/67/821710967.db2.gz IEZUFEBICSKCJU-UHFFFAOYSA-N -1 3 253.223 3.434 20 0 CGADHM Cc1cc(N(C)C)ncc1-c1c(F)ccc([O-])c1F ZINC001241292893 821711396 /nfs/dbraw/zinc/71/13/96/821711396.db2.gz MEKVBLYGXCHUHY-UHFFFAOYSA-N -1 3 264.275 3.107 20 0 CGADHM CC(C)n1cc(-c2c(F)ccc([O-])c2F)ccc1=O ZINC001241293818 821712807 /nfs/dbraw/zinc/71/28/07/821712807.db2.gz PDODIBNGDXCFBJ-UHFFFAOYSA-N -1 3 265.259 3.080 20 0 CGADHM Cc1cc(N)c(F)cc1-c1c(F)ccc([O-])c1F ZINC001241294233 821713146 /nfs/dbraw/zinc/71/31/46/821713146.db2.gz NYJAJEZOHYKPQH-UHFFFAOYSA-N -1 3 253.223 3.367 20 0 CGADHM [O-]c1ccc(F)c(-c2cc(F)c3nccn3c2)c1F ZINC001241295455 821713489 /nfs/dbraw/zinc/71/34/89/821713489.db2.gz RXPRETASLRKGAS-UHFFFAOYSA-N -1 3 264.206 3.124 20 0 CGADHM CSc1cccc(-c2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC001241316530 821726387 /nfs/dbraw/zinc/72/63/87/821726387.db2.gz ZPNZIDAQPLLRTN-UHFFFAOYSA-N -1 3 286.335 3.395 20 0 CGADHM CSc1cccc(-c2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC001241316530 821726391 /nfs/dbraw/zinc/72/63/91/821726391.db2.gz ZPNZIDAQPLLRTN-UHFFFAOYSA-N -1 3 286.335 3.395 20 0 CGADHM CC(C)Sc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC001241444436 821838480 /nfs/dbraw/zinc/83/84/80/821838480.db2.gz CJVFNSKBGDKAQA-UHFFFAOYSA-N -1 3 297.387 3.429 20 0 CGADHM CC(C)Sc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC001241444436 821838489 /nfs/dbraw/zinc/83/84/89/821838489.db2.gz CJVFNSKBGDKAQA-UHFFFAOYSA-N -1 3 297.387 3.429 20 0 CGADHM CNC(=O)c1ccc(-c2ccc([O-])c(C(F)(F)F)c2)cc1 ZINC001242158459 822899376 /nfs/dbraw/zinc/89/93/76/822899376.db2.gz ZNCMGXDGEPWXOW-UHFFFAOYSA-N -1 3 295.260 3.438 20 0 CGADHM [O-]c1cc(F)ccc1-c1ccc(N2CCCC2)nc1 ZINC001242217988 822915138 /nfs/dbraw/zinc/91/51/38/822915138.db2.gz QHTLEPBMVRMVCF-UHFFFAOYSA-N -1 3 258.296 3.194 20 0 CGADHM COC(=O)c1ccc(-c2ccc(F)cc2[O-])c(C)c1F ZINC001242218757 822915604 /nfs/dbraw/zinc/91/56/04/822915604.db2.gz OLSKQFMLWMJKHU-UHFFFAOYSA-N -1 3 278.254 3.432 20 0 CGADHM O=c1cc(-c2ccc(F)cc2[O-])ccn1-c1ccccc1 ZINC001242219887 822916539 /nfs/dbraw/zinc/91/65/39/822916539.db2.gz WAKSYUULONUYGR-UHFFFAOYSA-N -1 3 281.286 3.349 20 0 CGADHM COC(=O)c1cc(C)cc(-c2cccc(F)c2[O-])c1 ZINC001242351494 822961519 /nfs/dbraw/zinc/96/15/19/822961519.db2.gz WXMRKABHGYYPJT-UHFFFAOYSA-N -1 3 260.264 3.293 20 0 CGADHM COc1cc(-c2cccc(F)c2[O-])cc(OC)c1OC ZINC001242351767 822961671 /nfs/dbraw/zinc/96/16/71/822961671.db2.gz RZJOZJBFFPFYPI-UHFFFAOYSA-N -1 3 278.279 3.224 20 0 CGADHM [O-]c1c(F)cccc1-c1ccccc1N1CCOCC1 ZINC001242352039 822961701 /nfs/dbraw/zinc/96/17/01/822961701.db2.gz IYXARSQLSHGXFF-UHFFFAOYSA-N -1 3 273.307 3.035 20 0 CGADHM COC(=O)[C@H](C)c1cccc(-c2cccc(F)c2[O-])c1 ZINC001242352625 822962680 /nfs/dbraw/zinc/96/26/80/822962680.db2.gz AZCACXAQFOXCBB-SNVBAGLBSA-N -1 3 274.291 3.475 20 0 CGADHM COc1ccc(-c2cccc(F)c2[O-])c(OC)c1OC ZINC001242353729 822963180 /nfs/dbraw/zinc/96/31/80/822963180.db2.gz PBWHUPXJACGRFZ-UHFFFAOYSA-N -1 3 278.279 3.224 20 0 CGADHM CC(=O)c1ccc(-c2cc(C(F)(F)F)[n-]c(=S)n2)cn1 ZINC001242399510 822980667 /nfs/dbraw/zinc/98/06/67/822980667.db2.gz RTWLJZWBPRYXMB-UHFFFAOYSA-N -1 3 299.277 3.049 20 0 CGADHM O=C([O-])CCCCCCNCc1nc2cc(F)ccc2o1 ZINC001339223172 936360096 /nfs/dbraw/zinc/36/00/96/936360096.db2.gz IEZXOFSKAWVXEU-UHFFFAOYSA-N -1 3 294.326 3.092 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CC[C@@H]2C(C)(C)C)c1 ZINC001339401819 936371062 /nfs/dbraw/zinc/37/10/62/936371062.db2.gz LMCYQBHWOPTPLA-CQSZACIVSA-N -1 3 261.365 3.215 20 0 CGADHM C[C@@H]1CN(C(=O)c2cc([O-])c3ccccc3c2)[C@H](C)CCO1 ZINC001339403715 936371679 /nfs/dbraw/zinc/37/16/79/936371679.db2.gz WSTWQOSUBIGOND-CHWSQXEVSA-N -1 3 299.370 3.185 20 0 CGADHM CC(C)c1nc(CN[C@@H]2CCCCC[C@@H]2C(=O)[O-])cs1 ZINC001348503047 936924546 /nfs/dbraw/zinc/92/45/46/936924546.db2.gz PMMPOXJNEDJZEZ-QWHCGFSZSA-N -1 3 296.436 3.390 20 0 CGADHM CC(C)c1nnc([N-]c2ccc3ccn(C)c3c2)o1 ZINC001174513975 928232527 /nfs/dbraw/zinc/23/25/27/928232527.db2.gz QWBOICXZASMOBZ-UHFFFAOYSA-N -1 3 256.309 3.428 20 0 CGADHM O=c1nc(Cl)cc(SCc2c(F)cccc2F)[n-]1 ZINC001434445012 937249293 /nfs/dbraw/zinc/24/92/93/937249293.db2.gz NYCWGJJPNXFCPK-UHFFFAOYSA-N -1 3 288.706 3.406 20 0 CGADHM CC(=O)c1ccc(OC(=O)c2cccc(F)c2[O-])c(C)c1 ZINC001435035523 937252339 /nfs/dbraw/zinc/25/23/39/937252339.db2.gz ZLQJZZLOTYEPPQ-UHFFFAOYSA-N -1 3 288.274 3.262 20 0 CGADHM CCc1cnc(COC(=O)c2cccc(Cl)c2[O-])s1 ZINC001435670144 937264492 /nfs/dbraw/zinc/26/44/92/937264492.db2.gz DTGRXDXHLUFQOD-UHFFFAOYSA-N -1 3 297.763 3.422 20 0 CGADHM O=C([N-]c1nc(C(F)(F)F)co1)c1scnc1Cl ZINC001436495600 937281283 /nfs/dbraw/zinc/28/12/83/937281283.db2.gz OHXNWTBAYCQRMK-UHFFFAOYSA-N -1 3 297.645 3.056 20 0 CGADHM CC[C@@H](Cc1cccc(C)c1)C(=O)[N-]O[C@H]1CCCCO1 ZINC001442533605 937343043 /nfs/dbraw/zinc/34/30/43/937343043.db2.gz SFDNEOIGDYZYCO-HOTGVXAUSA-N -1 3 291.391 3.138 20 0 CGADHM Cc1cccc([O-])c1C(=O)N[C@H]1C[C@@H]1Cc1ccccc1 ZINC001444290149 937351161 /nfs/dbraw/zinc/35/11/61/937351161.db2.gz ZLZHKNOJCGKZAV-GJZGRUSLSA-N -1 3 281.355 3.062 20 0 CGADHM O=C(NCc1ccc([O-])c(F)c1)c1ccc2cccnc2c1 ZINC001445888063 937360609 /nfs/dbraw/zinc/36/06/09/937360609.db2.gz ZVDFFOYQNFCWKD-UHFFFAOYSA-N -1 3 296.301 3.010 20 0 CGADHM C[C@@H](C(=O)Nc1cc(Cl)ccc1[O-])c1ccncc1 ZINC001446525624 937363430 /nfs/dbraw/zinc/36/34/30/937363430.db2.gz LYKKCCUDQKTQMB-SECBINFHSA-N -1 3 276.723 3.183 20 0 CGADHM Cc1ccc(C(=O)N[C@H]2C[C@@H](OC(C)C)C2(C)C)c([O-])c1 ZINC001447370234 937368632 /nfs/dbraw/zinc/36/86/32/937368632.db2.gz HATIEVZPWQAWJF-LSDHHAIUSA-N -1 3 291.391 3.023 20 0 CGADHM CCOc1cc(O)ccc1NC(=O)c1c(C)cccc1[O-] ZINC001447656223 937370204 /nfs/dbraw/zinc/37/02/04/937370204.db2.gz OZSGHDARIXCZIS-UHFFFAOYSA-N -1 3 287.315 3.057 20 0 CGADHM CC[C@@H](C)[C@@H](NC(=O)c1ccc(C)cc1[O-])C(F)(F)F ZINC001448551607 937375465 /nfs/dbraw/zinc/37/54/65/937375465.db2.gz KSOXIFYIYKSNSK-BXKDBHETSA-N -1 3 289.297 3.407 20 0 CGADHM Cc1ccc(C(=O)Nc2cccc3nsnc32)c([O-])c1C ZINC001454267930 937407750 /nfs/dbraw/zinc/40/77/50/937407750.db2.gz PCCWJZHMWIUNMT-UHFFFAOYSA-N -1 3 299.355 3.266 20 0 CGADHM CCc1nc(C(=O)[N-]c2ccc(F)cc2SC)co1 ZINC001461130832 937565452 /nfs/dbraw/zinc/56/54/52/937565452.db2.gz YUNIDBTYBYWZOD-UHFFFAOYSA-N -1 3 280.324 3.350 20 0 CGADHM C[C@H](Oc1nc(=S)[n-]c2sccc21)C(F)(F)F ZINC001229565138 932172077 /nfs/dbraw/zinc/17/20/77/932172077.db2.gz GDQAXDQGPVKJGT-BYPYZUCNSA-N -1 3 280.296 3.310 20 0 CGADHM Cc1nc(O[C@H](C)c2cccc(F)c2)c(C)c(=O)[n-]1 ZINC001229684343 932188944 /nfs/dbraw/zinc/18/89/44/932188944.db2.gz AIAWCUIFMQDQRP-SECBINFHSA-N -1 3 262.284 3.078 20 0 CGADHM CCC[C@@H](Oc1ccccc1-c1nnn[n-]1)[C@@H](C)CC ZINC001229954797 932509863 /nfs/dbraw/zinc/50/98/63/932509863.db2.gz PNHGECZSCKBWGG-WCQYABFASA-N -1 3 274.368 3.460 20 0 CGADHM CCC[C@@H](Oc1ccccc1-c1nn[n-]n1)[C@@H](C)CC ZINC001229954797 932509868 /nfs/dbraw/zinc/50/98/68/932509868.db2.gz PNHGECZSCKBWGG-WCQYABFASA-N -1 3 274.368 3.460 20 0 CGADHM C[C@@H]1CC[C@H](C)[C@@H](Oc2ccccc2-c2nnn[n-]2)C1 ZINC001229954765 932510439 /nfs/dbraw/zinc/51/04/39/932510439.db2.gz OXQNJLIFCDDFKR-SUNKGSAMSA-N -1 3 272.352 3.070 20 0 CGADHM C[C@@H]1CC[C@H](C)[C@@H](Oc2ccccc2-c2nn[n-]n2)C1 ZINC001229954765 932510443 /nfs/dbraw/zinc/51/04/43/932510443.db2.gz OXQNJLIFCDDFKR-SUNKGSAMSA-N -1 3 272.352 3.070 20 0 CGADHM Cc1cccc([C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001231073587 932672965 /nfs/dbraw/zinc/67/29/65/932672965.db2.gz LYKHAQOGRLMXHD-LBPRGKRZSA-N -1 3 280.331 3.315 20 0 CGADHM Cc1ccc(-c2nnc(-c3cc(=O)[n-]c(C4CC4)n3)o2)cc1 ZINC001252674729 932722238 /nfs/dbraw/zinc/72/22/38/932722238.db2.gz YWJGEWSXHQGOTC-UHFFFAOYSA-N -1 3 294.314 3.085 20 0 CGADHM Cc1ccc([C@H]2C[C@H]2c2nnc(-c3ccc([O-])cn3)o2)cc1 ZINC001257209032 932729970 /nfs/dbraw/zinc/72/99/70/932729970.db2.gz FSASIKAHPGLDNF-ZIAGYGMSSA-N -1 3 293.326 3.417 20 0 CGADHM [O-]c1ccc(CNC[C@H]2CCCC3(CCC3)O2)c(F)c1F ZINC001308963344 933214023 /nfs/dbraw/zinc/21/40/23/933214023.db2.gz RTXWOCASPGWSRL-GFCCVEGCSA-N -1 3 297.345 3.252 20 0 CGADHM C[C@@H]1C[C@@H](CC[N-]S(=O)(=O)c2ccco2)CC(C)(C)C1 ZINC001463635607 937678607 /nfs/dbraw/zinc/67/86/07/937678607.db2.gz MEOXLGHJAOVVEV-CHWSQXEVSA-N -1 3 299.436 3.410 20 0 CGADHM CC1(C)CCC(C)(C[N-]S(=O)(=O)c2ccco2)CC1 ZINC001463896834 937682431 /nfs/dbraw/zinc/68/24/31/937682431.db2.gz WBURXPLAXSRPGA-UHFFFAOYSA-N -1 3 285.409 3.164 20 0 CGADHM O=C(NC1(c2cccc(Cl)c2)CC1)c1ccccc1[O-] ZINC001465259742 937699436 /nfs/dbraw/zinc/69/94/36/937699436.db2.gz GRYRQLUPKLIIOQ-UHFFFAOYSA-N -1 3 287.746 3.465 20 0 CGADHM CCS[C@H]1CCC[C@@H]1NC(=O)c1ccc(CC)cc1[O-] ZINC001465732275 937703266 /nfs/dbraw/zinc/70/32/66/937703266.db2.gz IFNSOYOYVVTWDO-ZFWWWQNUSA-N -1 3 293.432 3.359 20 0 CGADHM CCCN1CCCC[C@H]1C(=O)Nc1cccc(Cl)c1[O-] ZINC001319632235 933904557 /nfs/dbraw/zinc/90/45/57/933904557.db2.gz YYZGMIXOTKWQKV-ZDUSSCGKSA-N -1 3 296.798 3.249 20 0 CGADHM CCc1cccc(C(=O)Nc2c(C)cnn2CC2CC2)c1[O-] ZINC001319831123 933940738 /nfs/dbraw/zinc/94/07/38/933940738.db2.gz AEYJUQNRNBYNRT-UHFFFAOYSA-N -1 3 299.374 3.122 20 0 CGADHM Cc1cccc(C)c1C(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC001468311782 937726738 /nfs/dbraw/zinc/72/67/38/937726738.db2.gz ZUKYXDKENVDEGM-UHFFFAOYSA-N -1 3 281.315 3.138 20 0 CGADHM O=C(NCc1ccc([O-])c(F)c1)NCC1CCCCCC1 ZINC001468976369 937733810 /nfs/dbraw/zinc/73/38/10/937733810.db2.gz GDGRALOPGDQMAI-UHFFFAOYSA-N -1 3 294.370 3.301 20 0 CGADHM COc1cccc(C(=O)N(C)c2cccc3cc[nH]c32)c1[O-] ZINC001470982214 937760154 /nfs/dbraw/zinc/76/01/54/937760154.db2.gz WFAYCYCOCZQQPG-UHFFFAOYSA-N -1 3 296.326 3.159 20 0 CGADHM Cc1cc(CSCc2nc(C)cc(=O)[n-]2)cs1 ZINC001333149708 935514177 /nfs/dbraw/zinc/51/41/77/935514177.db2.gz XRVALFNTUSFKQX-UHFFFAOYSA-N -1 3 266.391 3.294 20 0 CGADHM Cc1cc(COC(=O)c2cc(-c3ccco3)[n-]n2)cs1 ZINC001333165098 935515096 /nfs/dbraw/zinc/51/50/96/935515096.db2.gz BUZMEOBPZKHWAE-UHFFFAOYSA-N -1 3 288.328 3.397 20 0 CGADHM Cc1cc(COC(=O)c2cc(-c3ccco3)n[n-]2)cs1 ZINC001333165098 935515098 /nfs/dbraw/zinc/51/50/98/935515098.db2.gz BUZMEOBPZKHWAE-UHFFFAOYSA-N -1 3 288.328 3.397 20 0 CGADHM CC[C@H](C)CC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC001475475035 937883802 /nfs/dbraw/zinc/88/38/02/937883802.db2.gz OUHTZVRMEXHILC-VIFPVBQESA-N -1 3 293.791 3.194 20 0 CGADHM O=C([N-]c1cnoc1)c1c(Cl)oc2ccccc21 ZINC001520327803 938024762 /nfs/dbraw/zinc/02/47/62/938024762.db2.gz ADAMJBQENXBVKN-UHFFFAOYSA-N -1 3 262.652 3.327 20 0 CGADHM O=C([N-]C1(C2CCCCC2)CC1)C(F)(F)C(F)F ZINC001537567747 938111372 /nfs/dbraw/zinc/11/13/72/938111372.db2.gz YQFWEILKRUAHGH-UHFFFAOYSA-N -1 3 267.266 3.116 20 0 CGADHM CSc1c(F)cccc1[N-]C(=O)c1ccco1 ZINC001538797665 938120675 /nfs/dbraw/zinc/12/06/75/938120675.db2.gz RWTOSRMIBIPLOB-UHFFFAOYSA-N -1 3 251.282 3.393 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2n[nH]c3ccccc32)c1 ZINC001540322332 938130092 /nfs/dbraw/zinc/13/00/92/938130092.db2.gz BDLZDXKGSLLVSS-UHFFFAOYSA-N -1 3 281.315 3.083 20 0 CGADHM Cc1cccc([O-])c1C(=O)N[C@@H]1C[C@]1(C)c1ccccc1 ZINC001544980397 938148060 /nfs/dbraw/zinc/14/80/60/938148060.db2.gz RQYLRKQPLPSUOU-CRAIPNDOSA-N -1 3 281.355 3.161 20 0 CGADHM Cc1ccc(C(=O)NC2(C)C(C)(C)C2(C)C)c([O-])c1 ZINC001558692215 938150597 /nfs/dbraw/zinc/15/05/97/938150597.db2.gz FXAZHTLLXAWJRH-UHFFFAOYSA-N -1 3 261.365 3.255 20 0 CGADHM O=C([N-]OCC1CC1)[C@@H]1C2CCC(CC2)[C@@H]1C(F)(F)F ZINC001552144250 938190224 /nfs/dbraw/zinc/19/02/24/938190224.db2.gz IWPBKZACPTUFFS-HCWSGVFWSA-N -1 3 291.313 3.059 20 0 CGADHM Cc1cccc([O-])c1C(=O)NCc1ccc2occc2c1 ZINC001557408825 938209800 /nfs/dbraw/zinc/20/98/00/938209800.db2.gz FPYNAZGBGKKFSS-UHFFFAOYSA-N -1 3 281.311 3.377 20 0 CGADHM CC(C)c1ccc(C(=O)N[C@@H]2CC23CCC3)c([O-])c1 ZINC001558248058 938214304 /nfs/dbraw/zinc/21/43/04/938214304.db2.gz FCHNCUOSNIHZDM-CQSZACIVSA-N -1 3 259.349 3.188 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2ccc3c(c2)C[C@@H](C)O3)c1 ZINC001558617562 938216613 /nfs/dbraw/zinc/21/66/13/938216613.db2.gz PSTQPWQIWGNCAI-LLVKDONJSA-N -1 3 283.327 3.276 20 0 CGADHM CC[C@@H](CC(=O)[N-]OCCOc1ccccc1)C(C)C ZINC001558778453 938217759 /nfs/dbraw/zinc/21/77/59/938217759.db2.gz WLOBKUVGMQWBTM-AWEZNQCLSA-N -1 3 279.380 3.186 20 0 CGADHM c1cc(CNc2cccc(-c3nnn[n-]3)c2)cc(C2CC2)c1 ZINC000317056610 944627778 /nfs/dbraw/zinc/62/77/78/944627778.db2.gz TWPOSQWDDGOZBS-UHFFFAOYSA-N -1 3 291.358 3.356 20 0 CGADHM c1cc(CNc2cccc(-c3nn[n-]n3)c2)cc(C2CC2)c1 ZINC000317056610 944627781 /nfs/dbraw/zinc/62/77/81/944627781.db2.gz TWPOSQWDDGOZBS-UHFFFAOYSA-N -1 3 291.358 3.356 20 0 CGADHM O=C([O-])c1cccc(CNCc2ccc(C(F)F)nc2)c1 ZINC001595245139 949512093 /nfs/dbraw/zinc/51/20/93/949512093.db2.gz UQVMNTAQHCBOFZ-UHFFFAOYSA-N -1 3 292.285 3.007 20 0 CGADHM CC(C)(C)[C@H]1CCN(Cc2cccc(C(=O)[O-])c2)CCO1 ZINC001602854301 971702456 /nfs/dbraw/zinc/70/24/56/971702456.db2.gz BVFBHOYHZSXBRJ-OAHLLOKOSA-N -1 3 291.391 3.022 20 0 CGADHM Cc1cc(CNCc2ccccc2C(=O)[O-])ccc1F ZINC001594304174 960516495 /nfs/dbraw/zinc/51/64/95/960516495.db2.gz RGQVLKVPSGMMCV-UHFFFAOYSA-N -1 3 273.307 3.122 20 0 CGADHM CCCc1ccc(Nc2nc(C)ccc2-c2nnn[n-]2)cc1 ZINC001577735811 962562787 /nfs/dbraw/zinc/56/27/87/962562787.db2.gz BKQUSWUFVLOZAC-UHFFFAOYSA-N -1 3 294.362 3.266 20 0 CGADHM CCCc1ccc(Nc2nc(C)ccc2-c2nn[n-]n2)cc1 ZINC001577735811 962562793 /nfs/dbraw/zinc/56/27/93/962562793.db2.gz BKQUSWUFVLOZAC-UHFFFAOYSA-N -1 3 294.362 3.266 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2cccc3c2CCN3)c1 ZINC001578262577 962580669 /nfs/dbraw/zinc/58/06/69/962580669.db2.gz VBWUUIKKVVTKDP-UHFFFAOYSA-N -1 3 282.343 3.175 20 0 CGADHM Cc1cc(SCCC(C)C)ccc1-c1nnn[n-]1 ZINC001581044716 962747366 /nfs/dbraw/zinc/74/73/66/962747366.db2.gz MJMRBCVLNMLVAK-UHFFFAOYSA-N -1 3 262.382 3.313 20 0 CGADHM Cc1cc(SCCC(C)C)ccc1-c1nn[n-]n1 ZINC001581044716 962747388 /nfs/dbraw/zinc/74/73/88/962747388.db2.gz MJMRBCVLNMLVAK-UHFFFAOYSA-N -1 3 262.382 3.313 20 0 CGADHM Cc1ccnc(N[C@@H](C)CCCC(C)C)c1-c1nnn[n-]1 ZINC001581281577 962756499 /nfs/dbraw/zinc/75/64/99/962756499.db2.gz NGJVJTXQGWEWRC-LBPRGKRZSA-N -1 3 288.399 3.197 20 0 CGADHM Cc1ccnc(N[C@@H](C)CCCC(C)C)c1-c1nn[n-]n1 ZINC001581281577 962756510 /nfs/dbraw/zinc/75/65/10/962756510.db2.gz NGJVJTXQGWEWRC-LBPRGKRZSA-N -1 3 288.399 3.197 20 0 CGADHM Cc1cc(C)cc(CCC(=O)[N-]Oc2ccc(F)cc2)c1 ZINC001584004270 962876857 /nfs/dbraw/zinc/87/68/57/962876857.db2.gz UZAQISQYEDGBME-UHFFFAOYSA-N -1 3 287.334 3.485 20 0 CGADHM CC(C)CC[C@H]1CCC[C@@H]1NC(=O)c1ccc(O)cc1[O-] ZINC001584730765 962946358 /nfs/dbraw/zinc/94/63/58/962946358.db2.gz USMDXHCOHPVHQY-DOMZBBRYSA-N -1 3 291.391 3.433 20 0 CGADHM CC(C)CC[C@H]1CCC[C@H]1NC(=O)c1ccc(O)cc1[O-] ZINC001584730766 962948639 /nfs/dbraw/zinc/94/86/39/962948639.db2.gz USMDXHCOHPVHQY-IUODEOHRSA-N -1 3 291.391 3.433 20 0 CGADHM CCS[C@@H]1CCC[C@@H](NC(=O)c2c(C)cccc2[O-])C1 ZINC001587545135 963203415 /nfs/dbraw/zinc/20/34/15/963203415.db2.gz ZSIGLKYVZPSRSW-CHWSQXEVSA-N -1 3 293.432 3.495 20 0 CGADHM O=C([O-])c1ccc(F)c(CN2CCC3(CCC3)CC2)c1 ZINC000308424789 963275172 /nfs/dbraw/zinc/27/51/72/963275172.db2.gz VEZAPRZAUZLKPJ-UHFFFAOYSA-N -1 3 277.339 3.290 20 0 CGADHM C[C@@H](NCCCCC(F)(F)F)c1ncc(C(=O)[O-])s1 ZINC000315016269 963844361 /nfs/dbraw/zinc/84/43/61/963844361.db2.gz SVRHLMQJXRFBKM-SSDOTTSWSA-N -1 3 296.314 3.225 20 0 CGADHM CC(C)(CCNc1cc(F)ccc1-c1nnn[n-]1)C1CC1 ZINC001589275888 963978759 /nfs/dbraw/zinc/97/87/59/963978759.db2.gz MLRWOBQPEYSTNI-UHFFFAOYSA-N -1 3 289.358 3.244 20 0 CGADHM CC(C)(CCNc1cc(F)ccc1-c1nn[n-]n1)C1CC1 ZINC001589275888 963978767 /nfs/dbraw/zinc/97/87/67/963978767.db2.gz MLRWOBQPEYSTNI-UHFFFAOYSA-N -1 3 289.358 3.244 20 0 CGADHM CC(=O)c1ccc(CN(C)[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC001589283923 963979399 /nfs/dbraw/zinc/97/93/99/963979399.db2.gz UPHUZLKLHYFKPT-KRWDZBQOSA-N -1 3 297.354 3.147 20 0 CGADHM CC(C)=CCSCc1ccc(-c2nnn[n-]2)cc1C ZINC001589380085 963982050 /nfs/dbraw/zinc/98/20/50/963982050.db2.gz LSMBAVVJRBGECS-UHFFFAOYSA-N -1 3 274.393 3.375 20 0 CGADHM CC(C)=CCSCc1ccc(-c2nn[n-]n2)cc1C ZINC001589380085 963982057 /nfs/dbraw/zinc/98/20/57/963982057.db2.gz LSMBAVVJRBGECS-UHFFFAOYSA-N -1 3 274.393 3.375 20 0 CGADHM CC(C)CCCN1CCCc2c(-c3nnn[n-]3)cccc21 ZINC001589598690 964008703 /nfs/dbraw/zinc/00/87/03/964008703.db2.gz ZVZAPLOERUSWNQ-UHFFFAOYSA-N -1 3 285.395 3.056 20 0 CGADHM CC(C)CCCN1CCCc2c(-c3nn[n-]n3)cccc21 ZINC001589598690 964008709 /nfs/dbraw/zinc/00/87/09/964008709.db2.gz ZVZAPLOERUSWNQ-UHFFFAOYSA-N -1 3 285.395 3.056 20 0 CGADHM C[C@@H](CN[C@@H](C)c1ncc(C(=O)[O-])s1)CC(F)(F)F ZINC000396963483 972955362 /nfs/dbraw/zinc/95/53/62/972955362.db2.gz DPYYHGBBZCGXGA-RQJHMYQMSA-N -1 3 296.314 3.080 20 0 CGADHM CC(C)(C)C1CCN(Cc2cncc(C(=O)[O-])c2)CC1 ZINC000721519595 978115365 /nfs/dbraw/zinc/11/53/65/978115365.db2.gz SOPUMRLLYSLUFR-UHFFFAOYSA-N -1 3 276.380 3.038 20 0 CGADHM CCC(CC)(C[NH2+]Cc1cc([O-])cc(Cl)c1)C(=O)[O-] ZINC001595079408 979362963 /nfs/dbraw/zinc/36/29/63/979362963.db2.gz KXJPCIBYXDKORV-UHFFFAOYSA-N -1 3 285.771 3.026 20 0 CGADHM CCCCC1(N[C@@H](C)c2ncc(C(=O)[O-])s2)CC1 ZINC001595656954 982057757 /nfs/dbraw/zinc/05/77/57/982057757.db2.gz KTECHUVBSLMFGD-VIFPVBQESA-N -1 3 268.382 3.215 20 0 CGADHM CCc1cnccc1[C@@H](C)NCc1csc(C(=O)[O-])c1 ZINC001597637188 988622498 /nfs/dbraw/zinc/62/24/98/988622498.db2.gz YOQZAXFSMOONKM-SNVBAGLBSA-N -1 3 290.388 3.255 20 0 CGADHM CCc1nc(CN[C@H]2CCC[C@@H](CCCC(=O)[O-])C2)co1 ZINC001597670250 988765310 /nfs/dbraw/zinc/76/53/10/988765310.db2.gz UXMZONJNJNCZMY-STQMWFEESA-N -1 3 294.395 3.140 20 0 CGADHM C[C@@H]1C[C@H]1N[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC001599881279 989487789 /nfs/dbraw/zinc/48/77/89/989487789.db2.gz XPPSVKDMSKZZAY-DIMCTHFVSA-N -1 3 274.147 3.117 20 0 CGADHM CN(Cc1cc2cccnc2o1)Cc1ccc(C(=O)[O-])cc1 ZINC001598513955 992597418 /nfs/dbraw/zinc/59/74/18/992597418.db2.gz MJRQJQDITHGWGX-UHFFFAOYSA-N -1 3 296.326 3.158 20 0 CGADHM CN(Cc1nc(C(=O)[O-])cs1)[C@@H]1CCC[C@H]1C(C)(C)C ZINC001598537443 992856987 /nfs/dbraw/zinc/85/69/87/992856987.db2.gz ZISHLWXCNXMWCL-ZYHUDNBSSA-N -1 3 296.436 3.488 20 0 CGADHM C[C@@H](N[C@@H](C(=O)[O-])c1cccc(Cl)c1)c1ccc[nH]1 ZINC001593196545 994155684 /nfs/dbraw/zinc/15/56/84/994155684.db2.gz VVDCJZBOHAPBAC-NOZJJQNGSA-N -1 3 278.739 3.145 20 0 CGADHM C[C@@H](NCCCc1ccsc1)c1ncc(C(=O)[O-])s1 ZINC001593267703 994591486 /nfs/dbraw/zinc/59/14/86/994591486.db2.gz RAQCMYCKKQCGJM-SECBINFHSA-N -1 3 296.417 3.186 20 0 CGADHM COc1ccc(CN[C@@H](C)c2cc(C(=O)[O-])cs2)cc1 ZINC001599571643 998375095 /nfs/dbraw/zinc/37/50/95/998375095.db2.gz VDYUMPGSZLABII-JTQLQIEISA-N -1 3 291.372 3.306 20 0 CGADHM C[C@H](c1ncc(C(=O)[O-])s1)N(C)[C@@H]1CCCC[C@H]1C ZINC001594366764 999386102 /nfs/dbraw/zinc/38/61/02/999386102.db2.gz RBMZVJOGRTUNQD-GMTAPVOTSA-N -1 3 282.409 3.413 20 0 CGADHM Cc1ccc(C(=O)N2CCOc3ccccc3[C@@H]2C)c([O-])c1 ZINC000621146337 349463707 /nfs/dbraw/zinc/46/37/07/349463707.db2.gz VWHZJKFTZGDYLL-ZDUSSCGKSA-N -1 3 297.354 3.296 20 0 CGADHM CC(C)c1cccnc1NC(=O)c1cc(-c2ccco2)[n-]n1 ZINC000337437812 214083255 /nfs/dbraw/zinc/08/32/55/214083255.db2.gz DRFFDJRHHNDZLA-UHFFFAOYSA-N -1 3 296.330 3.440 20 0 CGADHM CC(C)c1cccnc1NC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000337437812 214083258 /nfs/dbraw/zinc/08/32/58/214083258.db2.gz DRFFDJRHHNDZLA-UHFFFAOYSA-N -1 3 296.330 3.440 20 0 CGADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@H]1C[C@H]1C ZINC000650946277 398184054 /nfs/dbraw/zinc/18/40/54/398184054.db2.gz LLYLJOIGOKZNNZ-SVRRBLITSA-N -1 3 284.153 3.058 20 0 CGADHM CCc1cccc(C(=O)NCCCc2ncccc2C)c1[O-] ZINC000650966628 398188714 /nfs/dbraw/zinc/18/87/14/398188714.db2.gz JSJHSWPAZVYBGL-UHFFFAOYSA-N -1 3 298.386 3.021 20 0 CGADHM CC(C)[C@@H]1C[C@H](CC(=O)Nc2ccccc2[O-])CCO1 ZINC000273049914 192030490 /nfs/dbraw/zinc/03/04/90/192030490.db2.gz UYFIXMOWORCMOJ-DOMZBBRYSA-N -1 3 277.364 3.172 20 0 CGADHM CC[C@H]1C[C@H](CC(=O)Nc2c(C)cccc2[O-])CCO1 ZINC000273050019 192030906 /nfs/dbraw/zinc/03/09/06/192030906.db2.gz FHFCAZSETKZFNQ-OLZOCXBDSA-N -1 3 277.364 3.234 20 0 CGADHM CC(C)(C)c1ccc(NC(=O)Cc2ccncc2)c([O-])c1 ZINC000337650302 214198497 /nfs/dbraw/zinc/19/84/97/214198497.db2.gz JSGZROITBWOWCY-UHFFFAOYSA-N -1 3 284.359 3.266 20 0 CGADHM CCCN(CC1CCCCC1)C(=O)c1cc(F)c[n-]c1=O ZINC000621709535 349557578 /nfs/dbraw/zinc/55/75/78/349557578.db2.gz XAJQKPJKNVHSOO-UHFFFAOYSA-N -1 3 294.370 3.359 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)[C@@H]2CCC2(C)C)c1-c1ccccc1 ZINC000621809069 349594201 /nfs/dbraw/zinc/59/42/01/349594201.db2.gz IXBFOYUIQUDDLY-ZDUSSCGKSA-N -1 3 283.375 3.182 20 0 CGADHM O=C(c1cc(F)c[n-]c1=O)N1CCCC2(CCCCC2)C1 ZINC000621865378 349598080 /nfs/dbraw/zinc/59/80/80/349598080.db2.gz KMAANAAYNWUBJA-UHFFFAOYSA-N -1 3 292.354 3.113 20 0 CGADHM C[C@@H]1CCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)[C@@H]1C ZINC000621900793 349605066 /nfs/dbraw/zinc/60/50/66/349605066.db2.gz HTZNEFMJISKVDV-RKDXNWHRSA-N -1 3 287.281 3.282 20 0 CGADHM CC1(CCNC(=O)c2cc([O-])cc(C(F)(F)F)c2)CC1 ZINC000621985112 349618016 /nfs/dbraw/zinc/61/80/16/349618016.db2.gz UOGUEYVJJUXCRQ-UHFFFAOYSA-N -1 3 287.281 3.331 20 0 CGADHM CCc1cc(=O)[n-]c(CSCc2nc(C)sc2C)n1 ZINC000337862321 214292237 /nfs/dbraw/zinc/29/22/37/214292237.db2.gz YNIANDVLZNLVEQ-UHFFFAOYSA-N -1 3 295.433 3.251 20 0 CGADHM CCC(C)(C)[C@@H](C)NC(=O)c1c[n-]c2ccccc2c1=O ZINC000622138001 349634377 /nfs/dbraw/zinc/63/43/77/349634377.db2.gz BVZNAXNACGGNLU-LLVKDONJSA-N -1 3 286.375 3.083 20 0 CGADHM Cc1ccc([O-])c(C(=O)NCc2ccc(Cl)cc2F)c1 ZINC000622524445 349684622 /nfs/dbraw/zinc/68/46/22/349684622.db2.gz VDNMWSYSDAGSBB-UHFFFAOYSA-N -1 3 293.725 3.423 20 0 CGADHM CCc1ccc([O-])c(C(=O)NCC2(C3CC3)CCC2)c1 ZINC000622458397 349681184 /nfs/dbraw/zinc/68/11/84/349681184.db2.gz MBJKYCZMLATIBU-UHFFFAOYSA-N -1 3 273.376 3.265 20 0 CGADHM CCc1cc(C(=O)N[C@H](C)c2ccncc2CC)ccc1[O-] ZINC000436706244 529519958 /nfs/dbraw/zinc/51/99/58/529519958.db2.gz OYHKMZXIRKFOLX-GFCCVEGCSA-N -1 3 298.386 3.403 20 0 CGADHM COc1ccc(N(C)C(=O)c2ccc(C)c(C)c2[O-])cc1 ZINC000622740035 349698630 /nfs/dbraw/zinc/69/86/30/349698630.db2.gz LZLMDUWBMNXSDF-UHFFFAOYSA-N -1 3 285.343 3.294 20 0 CGADHM Cc1ccccc1-c1cc(=NC(=O)CCC(C)(F)F)[nH][n-]1 ZINC000622898998 349725737 /nfs/dbraw/zinc/72/57/37/349725737.db2.gz HYOWWANLGOVTSA-UHFFFAOYSA-N -1 3 293.317 3.181 20 0 CGADHM CCc1ccc(C(=O)N[C@H](C)c2ccncc2CC)c([O-])c1 ZINC000436840804 529608015 /nfs/dbraw/zinc/60/80/15/529608015.db2.gz RRBLJBNPDDMIRP-GFCCVEGCSA-N -1 3 298.386 3.403 20 0 CGADHM CCc1ccc(C(=O)Nc2cc(OC)ccc2F)c([O-])c1 ZINC000436827446 529609050 /nfs/dbraw/zinc/60/90/50/529609050.db2.gz DQWDCGWRBVLHLS-UHFFFAOYSA-N -1 3 289.306 3.355 20 0 CGADHM CCc1ccc(C(=O)Nc2cccc(CCCO)c2)c([O-])c1 ZINC000436838412 529610802 /nfs/dbraw/zinc/61/08/02/529610802.db2.gz KJWOUXXAOXLRKH-UHFFFAOYSA-N -1 3 299.370 3.132 20 0 CGADHM CCc1ccc(C(=O)N2CCC[C@@H]2C2CCC2)c([O-])c1 ZINC000191037163 529596317 /nfs/dbraw/zinc/59/63/17/529596317.db2.gz KYEDNXSJXLDNPI-OAHLLOKOSA-N -1 3 273.376 3.359 20 0 CGADHM CCc1ccc(C(=O)N2CC[C@H](C(C)(C)C)C2)c([O-])c1 ZINC000436838616 529599893 /nfs/dbraw/zinc/59/98/93/529599893.db2.gz JWVJBRJBZRNCAY-ZDUSSCGKSA-N -1 3 275.392 3.463 20 0 CGADHM CCc1cc(C(=O)N2CC(C)(c3ccccc3)C2)ccc1[O-] ZINC000623034927 349754308 /nfs/dbraw/zinc/75/43/08/349754308.db2.gz KUEFPLAPLZNTRD-UHFFFAOYSA-N -1 3 295.382 3.368 20 0 CGADHM CCc1cccnc1-c1noc(-c2cccc(C)c2[O-])n1 ZINC000157799643 529617479 /nfs/dbraw/zinc/61/74/79/529617479.db2.gz YQHFOHFRUMZRCO-UHFFFAOYSA-N -1 3 281.315 3.375 20 0 CGADHM CCc1ccc(CN[C@H](C(=O)[O-])c2cccc(F)c2)cc1 ZINC000426810619 529656896 /nfs/dbraw/zinc/65/68/96/529656896.db2.gz JDBWWXDBFYDVQL-INIZCTEOSA-N -1 3 287.334 3.304 20 0 CGADHM CCc1cnccc1[C@H](C)NC(=O)c1ccc(C)cc1[O-] ZINC000436794691 529681096 /nfs/dbraw/zinc/68/10/96/529681096.db2.gz WKZFXKQUEMFVOJ-LBPRGKRZSA-N -1 3 284.359 3.149 20 0 CGADHM O=c1[n-]c(COCc2ccccc2)nc2cccc(F)c12 ZINC000591726013 346933937 /nfs/dbraw/zinc/93/39/37/346933937.db2.gz BNRBTGIOFGYEEM-UHFFFAOYSA-N -1 3 284.290 3.191 20 0 CGADHM CCc1ccc([C@@H](C)NC(=O)c2ccc([O-])c(OC)c2)cc1 ZINC000436624771 529706179 /nfs/dbraw/zinc/70/61/79/529706179.db2.gz ANZIVDRECMJDAN-GFCCVEGCSA-N -1 3 299.370 3.454 20 0 CGADHM CCc1ccc([C@H](C)NC(=O)c2c([O-])cccc2O)cc1 ZINC000436675342 529721056 /nfs/dbraw/zinc/72/10/56/529721056.db2.gz UPATXQRGLUEUEF-NSHDSACASA-N -1 3 285.343 3.151 20 0 CGADHM Cc1ccc2c(c1)[C@H](NCc1nc(C)ccc1[O-])CC2 ZINC000592462074 346991302 /nfs/dbraw/zinc/99/13/02/346991302.db2.gz QEQLMENPJAMBKU-OAHLLOKOSA-N -1 3 268.360 3.181 20 0 CGADHM O=C(Nc1ncccc1[O-])c1cc(Cl)ccc1Cl ZINC000022263369 344894822 /nfs/dbraw/zinc/89/48/22/344894822.db2.gz VVAPWLDVEHXVLB-UHFFFAOYSA-N -1 3 283.114 3.346 20 0 CGADHM CCC(=O)Nc1cccc(C(=O)Nc2ccc(C)cc2[O-])c1 ZINC000048323672 345064825 /nfs/dbraw/zinc/06/48/25/345064825.db2.gz WBSYNYUQUGSKFR-UHFFFAOYSA-N -1 3 298.342 3.301 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])[C@@H]1C[C@H]1c1cccnc1 ZINC000051377263 345089487 /nfs/dbraw/zinc/08/94/87/345089487.db2.gz AXQRUIMRLYMJBC-NWDGAFQWSA-N -1 3 288.734 3.183 20 0 CGADHM CC[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000057102596 345173333 /nfs/dbraw/zinc/17/33/33/345173333.db2.gz UCSBICPVQZYLIT-SFYZADRCSA-N -1 3 281.830 3.114 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])[C@H]1CC=CCC1 ZINC000067145342 345315809 /nfs/dbraw/zinc/31/58/09/345315809.db2.gz HNAURVLOYZORLD-VIFPVBQESA-N -1 3 251.713 3.340 20 0 CGADHM CC(C)Oc1cccc(CC(=O)Nc2ccccc2[O-])c1 ZINC000069126298 345373669 /nfs/dbraw/zinc/37/36/69/345373669.db2.gz SYPJPDVCNHVTFR-UHFFFAOYSA-N -1 3 285.343 3.361 20 0 CGADHM CC1(C)CCCN(Cc2ccc(C(=O)[O-])s2)C1 ZINC000070259297 345390472 /nfs/dbraw/zinc/39/04/72/345390472.db2.gz UNOPCOAPSBGDBQ-UHFFFAOYSA-N -1 3 253.367 3.068 20 0 CGADHM O=C([N-]c1nnc(C(F)F)s1)c1ccc(Cl)s1 ZINC000067524309 345325124 /nfs/dbraw/zinc/32/51/24/345325124.db2.gz PJHWDFYRCWVODF-UHFFFAOYSA-N -1 3 295.723 3.443 20 0 CGADHM O=C([O-])CCN(Cc1ccccc1)Cc1cccc(F)c1 ZINC000071741624 345404671 /nfs/dbraw/zinc/40/46/71/345404671.db2.gz KWAAULCMRDDCPL-UHFFFAOYSA-N -1 3 287.334 3.303 20 0 CGADHM C[C@H](CN(Cc1ccccc1Cl)C1CC1)C(=O)[O-] ZINC000071736487 345404947 /nfs/dbraw/zinc/40/49/47/345404947.db2.gz MOSJTZWJNJXHIT-SNVBAGLBSA-N -1 3 267.756 3.025 20 0 CGADHM Cc1ccc2nc(-c3ccc(F)c(F)c3)[n-]c(=O)c2c1 ZINC000077491706 345575324 /nfs/dbraw/zinc/57/53/24/345575324.db2.gz GCIVAULKKUVUPA-UHFFFAOYSA-N -1 3 272.254 3.177 20 0 CGADHM Cc1cccc(C(=O)N(C)Cc2ccc(F)cc2F)c1[O-] ZINC000078770925 345621807 /nfs/dbraw/zinc/62/18/07/345621807.db2.gz XNAIOSOUDPKSRV-UHFFFAOYSA-N -1 3 291.297 3.251 20 0 CGADHM Cc1nn(C(C)(C)C)c(C)c1C(=O)Nc1ccccc1[O-] ZINC000078891610 345623861 /nfs/dbraw/zinc/62/38/61/345623861.db2.gz NMFKWECZVVQTQZ-UHFFFAOYSA-N -1 3 287.363 3.213 20 0 CGADHM CC(C)OCc1nc(=O)c2c(C(C)C)csc2[n-]1 ZINC000080715741 345685356 /nfs/dbraw/zinc/68/53/56/345685356.db2.gz WHDHLADFHOGVGX-UHFFFAOYSA-N -1 3 266.366 3.033 20 0 CGADHM CCc1cccc(S(=O)(=O)[N-]c2cccc(F)c2F)c1 ZINC000080939385 345690133 /nfs/dbraw/zinc/69/01/33/345690133.db2.gz GPOMHGWQTKBYTP-UHFFFAOYSA-N -1 3 297.326 3.328 20 0 CGADHM CCC(CC)C(=O)Nc1nnc(-c2c(F)cccc2F)[n-]1 ZINC000081787716 345718153 /nfs/dbraw/zinc/71/81/53/345718153.db2.gz UXBFGCYWYLOKMH-UHFFFAOYSA-N -1 3 294.305 3.125 20 0 CGADHM CCC(CC)C(=O)Nc1nc(-c2c(F)cccc2F)n[n-]1 ZINC000081787716 345718155 /nfs/dbraw/zinc/71/81/55/345718155.db2.gz UXBFGCYWYLOKMH-UHFFFAOYSA-N -1 3 294.305 3.125 20 0 CGADHM CCC(CC)C(=O)Nc1n[n-]c(-c2c(F)cccc2F)n1 ZINC000081787716 345718156 /nfs/dbraw/zinc/71/81/56/345718156.db2.gz UXBFGCYWYLOKMH-UHFFFAOYSA-N -1 3 294.305 3.125 20 0 CGADHM CC(C)c1ccc(C(=O)N(C)CCOCC2CC2)c([O-])c1 ZINC000088461986 345761062 /nfs/dbraw/zinc/76/10/62/345761062.db2.gz MUVXOIKFQOCHCO-UHFFFAOYSA-N -1 3 291.391 3.014 20 0 CGADHM O=C(c1c([O-])cccc1O)N1CCC[C@]2(CC=CCC2)C1 ZINC000092121994 345831536 /nfs/dbraw/zinc/83/15/36/345831536.db2.gz WCYLPCMNWRMWNF-QGZVFWFLSA-N -1 3 287.359 3.060 20 0 CGADHM Cc1ccncc1NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000094121015 345895353 /nfs/dbraw/zinc/89/53/53/345895353.db2.gz FHMURBPWQHVYLN-UHFFFAOYSA-N -1 3 298.342 3.061 20 0 CGADHM Cc1cccc(CN(C)Cc2c(F)ccc([O-])c2F)n1 ZINC000351644034 219160750 /nfs/dbraw/zinc/16/07/50/219160750.db2.gz MZLZTZNVNQQUAN-UHFFFAOYSA-N -1 3 278.302 3.006 20 0 CGADHM Cc1ccc([O-])c(CN2CCc3ccccc3[C@@H]2C)n1 ZINC000093149328 345870743 /nfs/dbraw/zinc/87/07/43/345870743.db2.gz SMIJSERQJBYKPX-ZDUSSCGKSA-N -1 3 268.360 3.215 20 0 CGADHM CN(Cc1ccc(C(=O)[O-])cc1F)CC1CCCC1 ZINC000110845597 345946854 /nfs/dbraw/zinc/94/68/54/345946854.db2.gz OPFSDXSAPSNUCF-UHFFFAOYSA-N -1 3 265.328 3.146 20 0 CGADHM O=C(C[C@@H]1CCc2ccccc21)Nc1ccccc1[O-] ZINC000115708256 345973576 /nfs/dbraw/zinc/97/35/76/345973576.db2.gz OMDKUNDQUUTOKI-ZDUSSCGKSA-N -1 3 267.328 3.451 20 0 CGADHM [O-]c1cccc(CN2CCC[C@]3(CCCOC3)C2)c1Cl ZINC000351659286 219167790 /nfs/dbraw/zinc/16/77/90/219167790.db2.gz OSBDWRBMUKNDGX-INIZCTEOSA-N -1 3 295.810 3.438 20 0 CGADHM O=C(CC1=CCCCC1)NCc1ccc([O-])c(F)c1 ZINC000132815656 346074146 /nfs/dbraw/zinc/07/41/46/346074146.db2.gz MHUNKIUWNNYDLE-UHFFFAOYSA-N -1 3 263.312 3.038 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CC[C@@H]3CCCC[C@@H]32)c1 ZINC000134278369 346080685 /nfs/dbraw/zinc/08/06/85/346080685.db2.gz AFPXBSIMEPYZNJ-JSGCOSHPSA-N -1 3 259.349 3.105 20 0 CGADHM O=C([O-])C[C@H]1CCCN1Cc1cccc(C(F)F)c1 ZINC000156407376 346158174 /nfs/dbraw/zinc/15/81/74/346158174.db2.gz RYGNISCHMFQPTL-GFCCVEGCSA-N -1 3 269.291 3.063 20 0 CGADHM Cc1ccc([O-])c(NC(=O)C(=O)c2ccc(Cl)cc2)c1 ZINC000170727076 346197544 /nfs/dbraw/zinc/19/75/44/346197544.db2.gz MZVZQEIVWZXVCE-UHFFFAOYSA-N -1 3 289.718 3.175 20 0 CGADHM Cc1cncc(C(=O)Nc2cc(Cl)cc(C)c2[O-])c1 ZINC000173647742 346236096 /nfs/dbraw/zinc/23/60/96/346236096.db2.gz QECUZQQSEHLDJL-UHFFFAOYSA-N -1 3 276.723 3.310 20 0 CGADHM C[C@H](NC(=O)NCc1ccc([O-])c(F)c1)c1cccs1 ZINC000172518631 346226774 /nfs/dbraw/zinc/22/67/74/346226774.db2.gz KROZANHDOXQIDL-VIFPVBQESA-N -1 3 294.351 3.153 20 0 CGADHM Cc1ccc([C@@H](NCc2ccc(F)cc2)C(=O)[O-])cc1 ZINC000212211356 346286291 /nfs/dbraw/zinc/28/62/91/346286291.db2.gz LLDCIEYCYGVRDG-OAHLLOKOSA-N -1 3 273.307 3.050 20 0 CGADHM CC(C)[C@]1(C(=O)[O-])CCN(Cc2ccc(Cl)s2)C1 ZINC000232751120 346327326 /nfs/dbraw/zinc/32/73/26/346327326.db2.gz BEHGFHVPLZQDTL-ZDUSSCGKSA-N -1 3 287.812 3.334 20 0 CGADHM O=C(Nc1cccnc1)c1cc([O-])ccc1C(F)(F)F ZINC000188400793 542248334 /nfs/dbraw/zinc/24/83/34/542248334.db2.gz CJYZLXBNNBMZIV-UHFFFAOYSA-N -1 3 282.221 3.058 20 0 CGADHM O=C(NCC(C1CC1)C1CC1)c1cc([O-])ccc1Cl ZINC000236607250 346341184 /nfs/dbraw/zinc/34/11/84/346341184.db2.gz CNMIEVZINYUNEA-UHFFFAOYSA-N -1 3 279.767 3.212 20 0 CGADHM O=C([O-])c1coc(CN2CCC3(C2)CCCCC3)c1 ZINC000302509759 346441267 /nfs/dbraw/zinc/44/12/67/346441267.db2.gz MWXZWSDAKVWPRM-UHFFFAOYSA-N -1 3 263.337 3.134 20 0 CGADHM C[C@@H](c1cccc2ccccc21)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000316868898 346485730 /nfs/dbraw/zinc/48/57/30/346485730.db2.gz KIUFYGRMQOAWIP-ZFWWWQNUSA-N -1 3 299.370 3.076 20 0 CGADHM Cc1cccc(CN(C)CCOc2cccc(C(=O)[O-])c2)c1 ZINC000315014909 346482745 /nfs/dbraw/zinc/48/27/45/346482745.db2.gz SRNLBVKAMGCHAJ-UHFFFAOYSA-N -1 3 299.370 3.204 20 0 CGADHM Cc1ccc(CN2CC[C@@H](C(=O)[O-])[C@H](C)C2)cc1Cl ZINC000381869368 346559306 /nfs/dbraw/zinc/55/93/06/346559306.db2.gz WFMXIACFLUFXHU-DGCLKSJQSA-N -1 3 281.783 3.191 20 0 CGADHM CC[C@H](NC(=O)c1ccc2n[n-]nc2c1)C1CCCCC1 ZINC000585711908 346727252 /nfs/dbraw/zinc/72/72/52/346727252.db2.gz SQHCZCHCZKYWDB-ZDUSSCGKSA-N -1 3 286.379 3.047 20 0 CGADHM C[C@]1(CNCc2cccc([O-])c2Cl)CCCC[C@H]1O ZINC000339289981 215069923 /nfs/dbraw/zinc/06/99/23/215069923.db2.gz FQNDFUBDOZTPGU-UKRRQHHQSA-N -1 3 283.799 3.076 20 0 CGADHM Cc1cc(=O)[n-]c(C(C)(C)NCCCSCC(C)C)n1 ZINC000595527313 347315898 /nfs/dbraw/zinc/31/58/98/347315898.db2.gz NHXFXBQTPZASMY-UHFFFAOYSA-N -1 3 297.468 3.095 20 0 CGADHM CC1(CSCc2cc([O-])ccc2Cl)COC1 ZINC000600638653 347822886 /nfs/dbraw/zinc/82/28/86/347822886.db2.gz RIRPKWKIKXEQMB-UHFFFAOYSA-N -1 3 258.770 3.315 20 0 CGADHM Cc1cc([N-]C(=O)[C@H](C)N2CCCc3c(C)cccc32)on1 ZINC000603943354 348104754 /nfs/dbraw/zinc/10/47/54/348104754.db2.gz OCMWBHLDQSJWJO-ZDUSSCGKSA-N -1 3 299.374 3.071 20 0 CGADHM CCC(C)(C)C(=O)N=c1cc(-c2cc(C)cc(C)c2)[n-][nH]1 ZINC000604901307 348138047 /nfs/dbraw/zinc/13/80/47/348138047.db2.gz XIFBWCDERDNOIL-UHFFFAOYSA-N -1 3 285.391 3.490 20 0 CGADHM Cc1ccc([O-])c(C(=O)N[C@@H]2C[C@@]2(C)c2ccccc2)c1 ZINC000607590196 348249596 /nfs/dbraw/zinc/24/95/96/348249596.db2.gz DPRVNCMXAZHIIJ-AEFFLSMTSA-N -1 3 281.355 3.161 20 0 CGADHM CO[C@@H]1CC[C@H](C(=O)N2CC[C@H](C)c3cccc([O-])c32)C1 ZINC000613573766 348619425 /nfs/dbraw/zinc/61/94/25/348619425.db2.gz BQNHKCLBXGQGAB-RWMBFGLXSA-N -1 3 289.375 3.048 20 0 CGADHM Cc1ccncc1CC(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000613577467 348620031 /nfs/dbraw/zinc/62/00/31/348620031.db2.gz YELDSDOBRPPUDC-CYBMUJFWSA-N -1 3 296.370 3.179 20 0 CGADHM CSc1ccc([O-])c(C(=O)N2CC[C@@H]3CCC[C@H]32)c1 ZINC000613697278 348628393 /nfs/dbraw/zinc/62/83/93/348628393.db2.gz XSSPMRYRYMNFJK-GXFFZTMASA-N -1 3 277.389 3.129 20 0 CGADHM CC[C@@H](C)CCC(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000615133453 348716846 /nfs/dbraw/zinc/71/68/46/348716846.db2.gz CINRFAJATWKFKV-SECBINFHSA-N -1 3 261.325 3.033 20 0 CGADHM CCC(CC)CC(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000615137873 348717650 /nfs/dbraw/zinc/71/76/50/348717650.db2.gz PBOXQJKZGMVJEZ-UHFFFAOYSA-N -1 3 261.325 3.033 20 0 CGADHM CC[C@@H](C)[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000614598493 348685394 /nfs/dbraw/zinc/68/53/94/348685394.db2.gz JGHCKIGGBLUQNB-MRVPVSSYSA-N -1 3 296.219 3.379 20 0 CGADHM CC(C)C[C@H](C)C(=O)NCc1ccc([O-])c2ncccc12 ZINC000616023723 348782691 /nfs/dbraw/zinc/78/26/91/348782691.db2.gz UYUXMPCNYVMPNK-LBPRGKRZSA-N -1 3 286.375 3.239 20 0 CGADHM CSc1ccc([O-])c(C(=O)N2CC[C@@H](C)C[C@H]2C)c1 ZINC000616418109 348818935 /nfs/dbraw/zinc/81/89/35/348818935.db2.gz IIDYPDWQGWTVEP-GHMZBOCLSA-N -1 3 279.405 3.375 20 0 CGADHM CC(=O)[C@@H]1C[C@H](C(=O)Nc2ccc([O-])cc2Cl)C1(C)C ZINC000616940919 348885039 /nfs/dbraw/zinc/88/50/39/348885039.db2.gz KNINWLGEMIURCP-WDEREUQCSA-N -1 3 295.766 3.235 20 0 CGADHM CC[C@@H](C)[C@H](OC)C(=O)Nc1ccc([O-])cc1Cl ZINC000616939447 348885185 /nfs/dbraw/zinc/88/51/85/348885185.db2.gz CYEWPYDBYBJLOM-PELKAZGASA-N -1 3 271.744 3.045 20 0 CGADHM CC1(C(=O)Nc2ccc([O-])cc2Cl)CCC(=O)CC1 ZINC000616943403 348885422 /nfs/dbraw/zinc/88/54/22/348885422.db2.gz ZRZRANACQVQBJB-UHFFFAOYSA-N -1 3 281.739 3.134 20 0 CGADHM C[C@@]1(C(=O)Nc2ccc([O-])cc2Cl)CC1(F)F ZINC000616942727 348885821 /nfs/dbraw/zinc/88/58/21/348885821.db2.gz AITDRQHYUPRVPQ-JTQLQIEISA-N -1 3 261.655 3.029 20 0 CGADHM Cc1cc(C(=O)[N-]c2nc(C(C)C)c(C)s2)on1 ZINC000617244414 348937959 /nfs/dbraw/zinc/93/79/59/348937959.db2.gz ZZQLBDNOZRGMCM-UHFFFAOYSA-N -1 3 265.338 3.124 20 0 CGADHM CC(C)C[C@@H]1CCCN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000336575264 213473149 /nfs/dbraw/zinc/47/31/49/213473149.db2.gz DVAQCWITMHNJRR-ZDUSSCGKSA-N -1 3 298.386 3.179 20 0 CGADHM CCc1ccc([O-])c(C(=O)NCC[C@@]2(C)CC2(F)F)c1 ZINC000618633319 349131204 /nfs/dbraw/zinc/13/12/04/349131204.db2.gz ICNQTOUTSGHLTC-AWEZNQCLSA-N -1 3 283.318 3.120 20 0 CGADHM CCN=c1[n-]c(C(=O)N2CCCC(CC)(CC)C2)cs1 ZINC000618672856 349139702 /nfs/dbraw/zinc/13/97/02/349139702.db2.gz MVTFDCJJYJFZTR-UHFFFAOYSA-N -1 3 295.452 3.039 20 0 CGADHM O=c1cc(C=Cc2ccsc2)nc(-c2ccncc2)[n-]1 ZINC000352026169 219291997 /nfs/dbraw/zinc/29/19/97/219291997.db2.gz JGBJMRNWWLOAFF-OWOJBTEDSA-N -1 3 281.340 3.064 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2cc(Cl)cc3c2OCC3)n1 ZINC000352035030 219296651 /nfs/dbraw/zinc/29/66/51/219296651.db2.gz LCHCYBJLJYNISL-NSCUHMNNSA-N -1 3 288.734 3.249 20 0 CGADHM Cc1ccc(C(=O)NC2CCC3(CC3(F)F)CC2)c([O-])c1 ZINC000619229050 349224817 /nfs/dbraw/zinc/22/48/17/349224817.db2.gz HCALTQNVSYYFBD-UHFFFAOYSA-N -1 3 295.329 3.398 20 0 CGADHM COc1ccc2c(c1)N(C(=O)c1ccc([O-])c(C)c1)CCC2 ZINC000619937342 349293742 /nfs/dbraw/zinc/29/37/42/349293742.db2.gz ITYBURAKJWJRSE-UHFFFAOYSA-N -1 3 297.354 3.302 20 0 CGADHM C[C@H](NC(=O)Cc1ccc([O-])c(F)c1)C1CCC(F)CC1 ZINC000619967097 349300990 /nfs/dbraw/zinc/30/09/90/349300990.db2.gz XYLCHCKNXMVNGW-PKSQDBQZSA-N -1 3 297.345 3.107 20 0 CGADHM COc1cccc(C(=O)N2CCC[C@@H](C3CCC3)C2)c1[O-] ZINC000620215417 349341930 /nfs/dbraw/zinc/34/19/30/349341930.db2.gz SKIFGMVKZJRBKU-CYBMUJFWSA-N -1 3 289.375 3.053 20 0 CGADHM COc1cc(C(=O)NC[C@H](C)C2CCCCC2)ccc1[O-] ZINC000620371230 349364571 /nfs/dbraw/zinc/36/45/71/349364571.db2.gz NLTOKVRAQFGIIX-LBPRGKRZSA-N -1 3 291.391 3.347 20 0 CGADHM CC1(C)CC(NC(=O)c2cc([O-])ccc2C(F)(F)F)C1 ZINC000620738825 349416395 /nfs/dbraw/zinc/41/63/95/349416395.db2.gz KYLREEZOAQPYFR-UHFFFAOYSA-N -1 3 287.281 3.329 20 0 CGADHM Cc1cccc([O-])c1C(=O)N(Cc1ccccn1)C(C)C ZINC000624425575 350040180 /nfs/dbraw/zinc/04/01/80/350040180.db2.gz CTOGWYDPSRAPHZ-UHFFFAOYSA-N -1 3 284.359 3.146 20 0 CGADHM CCCCN(C(=O)c1cc(=O)[n-]cn1)[C@@H](C)c1ccccc1 ZINC000624808601 350105383 /nfs/dbraw/zinc/10/53/83/350105383.db2.gz JCMNBWCNWLDQRZ-ZDUSSCGKSA-N -1 3 299.374 3.186 20 0 CGADHM COCCN(Cc1ccco1)Cc1cc([O-])ccc1Cl ZINC000625077952 350126329 /nfs/dbraw/zinc/12/63/29/350126329.db2.gz KTSQDYPBAINRGP-UHFFFAOYSA-N -1 3 295.766 3.287 20 0 CGADHM CN(CCc1nccs1)Cc1cc([O-])ccc1Cl ZINC000625267051 350149317 /nfs/dbraw/zinc/14/93/17/350149317.db2.gz QRHKUHUCHVXIKK-UHFFFAOYSA-N -1 3 282.796 3.177 20 0 CGADHM CC(C)CO[C@H]1CCN(Cc2cc([O-])ccc2Cl)C1 ZINC000625227811 350144692 /nfs/dbraw/zinc/14/46/92/350144692.db2.gz OZTBZFQLUULRDR-AWEZNQCLSA-N -1 3 283.799 3.293 20 0 CGADHM CCn1ccc(CN(C)Cc2cc([O-])ccc2Cl)c1 ZINC000625365580 350163922 /nfs/dbraw/zinc/16/39/22/350163922.db2.gz QUMSSBDOFNIXQK-UHFFFAOYSA-N -1 3 278.783 3.499 20 0 CGADHM C[C@@H]1CN(Cc2cc([O-])ccc2Cl)C[C@H](C2CC2)O1 ZINC000625380984 350166058 /nfs/dbraw/zinc/16/60/58/350166058.db2.gz RTLNUBJNPPCPIO-MEBBXXQBSA-N -1 3 281.783 3.045 20 0 CGADHM [O-]c1ccc(Cl)c(CN2CCOC[C@H]2C2CCC2)c1 ZINC000625508157 350178814 /nfs/dbraw/zinc/17/88/14/350178814.db2.gz VVFOBVSTOXZAGM-HNNXBMFYSA-N -1 3 281.783 3.047 20 0 CGADHM CC[C@H](NC(=O)c1c(C)cccc1[O-])c1nccs1 ZINC000625736346 350206615 /nfs/dbraw/zinc/20/66/15/350206615.db2.gz AFIFAFURXSKYQO-JTQLQIEISA-N -1 3 276.361 3.038 20 0 CGADHM Cc1cnc(C(C)(C)NC(=O)c2c(C)cccc2[O-])s1 ZINC000626020397 350249002 /nfs/dbraw/zinc/24/90/02/350249002.db2.gz JRMDKRKNEAGMNN-UHFFFAOYSA-N -1 3 290.388 3.131 20 0 CGADHM Cc1cccc([O-])c1C(=O)N[C@@H](CC(F)(F)F)C(C)C ZINC000626598710 350321536 /nfs/dbraw/zinc/32/15/36/350321536.db2.gz GIFVVAYMRWODBD-JTQLQIEISA-N -1 3 289.297 3.407 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CC[C@H](CC(F)(F)F)C1 ZINC000626668914 350331307 /nfs/dbraw/zinc/33/13/07/350331307.db2.gz HDGKZVDENKVBCQ-SNVBAGLBSA-N -1 3 287.281 3.115 20 0 CGADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N(C1CC1)C1CC1 ZINC000628815390 350605551 /nfs/dbraw/zinc/60/55/51/350605551.db2.gz RSQUCRIENGJEET-UHFFFAOYSA-N -1 3 285.265 3.178 20 0 CGADHM O=C([O-])[C@@H]1CCN(CCCCC(F)(F)F)[C@H]2CCC[C@H]21 ZINC000629377615 350684561 /nfs/dbraw/zinc/68/45/61/350684561.db2.gz NXROLJHLAIAMDB-TUAOUCFPSA-N -1 3 293.329 3.294 20 0 CGADHM CCc1cccc(C(=O)N2C[C@@H]3CCCC[C@@]32C)c1[O-] ZINC000629616448 350720294 /nfs/dbraw/zinc/72/02/94/350720294.db2.gz DMSNXEJHXXGDIX-GUYCJALGSA-N -1 3 273.376 3.359 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)[C@@H]2CC23CCC3)c1-c1ccccc1F ZINC000630024381 350798276 /nfs/dbraw/zinc/79/82/76/350798276.db2.gz RJSZQRDUNUNNSE-LBPRGKRZSA-N -1 3 299.349 3.075 20 0 CGADHM CCc1cc2c([n-]c([C@H]3CC[C@@H](C)O3)nc2=O)s1 ZINC000630384733 350830346 /nfs/dbraw/zinc/83/03/46/350830346.db2.gz GQEIFMJFIHUJGT-GMSGAONNSA-N -1 3 264.350 3.199 20 0 CGADHM CC(C)c1cnc(S(=O)(=O)Cc2ccccc2Cl)[n-]1 ZINC000630432885 350839225 /nfs/dbraw/zinc/83/92/25/350839225.db2.gz VCEJKIAKHFTRAM-UHFFFAOYSA-N -1 3 298.795 3.160 20 0 CGADHM CC(C)c1c[n-]c(S(=O)(=O)Cc2ccccc2Cl)n1 ZINC000630432885 350839226 /nfs/dbraw/zinc/83/92/26/350839226.db2.gz VCEJKIAKHFTRAM-UHFFFAOYSA-N -1 3 298.795 3.160 20 0 CGADHM Cc1ccc(CN[C@@H](C)CCCCC(=O)[O-])c(F)c1 ZINC000630451207 350841581 /nfs/dbraw/zinc/84/15/81/350841581.db2.gz MWDVDMVNAJPIKL-LBPRGKRZSA-N -1 3 267.344 3.257 20 0 CGADHM CC[C@H](CCC(=O)[O-])NCc1c(F)ccc(F)c1Cl ZINC000630459167 350843073 /nfs/dbraw/zinc/84/30/73/350843073.db2.gz LCQMRKHWIQVXND-MRVPVSSYSA-N -1 3 291.725 3.351 20 0 CGADHM O=C([O-])[C@H]1CC[C@H](NCc2cccc(Cl)c2F)CC1 ZINC000630475843 350846973 /nfs/dbraw/zinc/84/69/73/350846973.db2.gz KTOGSFHABFMLNA-HOMQSWHASA-N -1 3 285.746 3.212 20 0 CGADHM FC(F)(F)c1csc(=NC[C@@H]2C[C@H]2c2cccnc2)[n-]1 ZINC000631355399 351029975 /nfs/dbraw/zinc/02/99/75/351029975.db2.gz NXDOEJWMUXAGKP-UWVGGRQHSA-N -1 3 299.321 3.194 20 0 CGADHM CC[C@@H](C)Cc1noc(-c2cccc(OC)c2[O-])n1 ZINC000632247805 351184581 /nfs/dbraw/zinc/18/45/81/351184581.db2.gz BVBGAUGCESFIOY-SECBINFHSA-N -1 3 262.309 3.039 20 0 CGADHM CC[C@@H](C)Cc1noc(-c2n[n-]nc2-c2ccccc2)n1 ZINC000632249729 351187013 /nfs/dbraw/zinc/18/70/13/351187013.db2.gz RUPSAXYDXYHUAB-SNVBAGLBSA-N -1 3 283.335 3.110 20 0 CGADHM O=C(NCCCC1CCCC1)c1c[n-]nc1-c1ccccn1 ZINC000352240622 219378744 /nfs/dbraw/zinc/37/87/44/219378744.db2.gz CPZKAUORZREBHR-UHFFFAOYSA-N -1 3 298.390 3.172 20 0 CGADHM O=C(N[C@@H]1CCCC12CC2)c1cc([O-])ccc1Cl ZINC000633781927 351370527 /nfs/dbraw/zinc/37/05/27/351370527.db2.gz UVFHTEWWTWHVKT-GFCCVEGCSA-N -1 3 265.740 3.108 20 0 CGADHM O=C(c1ccc(O)cc1[O-])N1CCC[C@@H](C2CCC2)CC1 ZINC000634522439 351504198 /nfs/dbraw/zinc/50/41/98/351504198.db2.gz IDVBTPYRCXIRGI-CYBMUJFWSA-N -1 3 289.375 3.140 20 0 CGADHM Cc1c2occ([O-])c2ccc1OCc1noc2c1CCCC2 ZINC000634560764 351514221 /nfs/dbraw/zinc/51/42/21/351514221.db2.gz XHOOUHVBNMNLSW-UHFFFAOYSA-N -1 3 299.326 3.016 20 0 CGADHM CS[C@H]1CCCCN(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000291396281 198010106 /nfs/dbraw/zinc/01/01/06/198010106.db2.gz WQBLKUHTENUHEC-NSHDSACASA-N -1 3 299.823 3.403 20 0 CGADHM CS[C@@H]1CCCCN(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000291396279 198010301 /nfs/dbraw/zinc/01/03/01/198010301.db2.gz WQBLKUHTENUHEC-LLVKDONJSA-N -1 3 299.823 3.403 20 0 CGADHM CCc1[n-]n(Cc2ccc(OC)cc2)c(=O)c1C(C)C ZINC000634597572 351534926 /nfs/dbraw/zinc/53/49/26/351534926.db2.gz NTXVOPLVNUJBNO-OAHLLOKOSA-N -1 3 274.364 3.076 20 0 CGADHM O=C([O-])c1coc(CN2CCC[C@@H](C3CCC3)CC2)c1 ZINC000634697099 351576030 /nfs/dbraw/zinc/57/60/30/351576030.db2.gz AJPHHEVDNGMZFV-CYBMUJFWSA-N -1 3 277.364 3.380 20 0 CGADHM c1coc(-c2n[n-]cc2-c2nc(C3CCCC3)no2)c1 ZINC000634665263 351556388 /nfs/dbraw/zinc/55/63/88/351556388.db2.gz AZQKLSOYWPBAPI-UHFFFAOYSA-N -1 3 270.292 3.377 20 0 CGADHM C[C@H](C(=O)Nc1cc(Cl)c([O-])c2ccccc12)N(C)C ZINC000636243523 351731743 /nfs/dbraw/zinc/73/17/43/351731743.db2.gz VMFUTLUKRCXDMI-SECBINFHSA-N -1 3 292.766 3.087 20 0 CGADHM CC(C)C[C@H]1CCCCCN1C(=O)c1csc(=O)[n-]1 ZINC000336496071 213369475 /nfs/dbraw/zinc/36/94/75/213369475.db2.gz CGFSNAGZSGBPPV-LLVKDONJSA-N -1 3 282.409 3.280 20 0 CGADHM Cc1ccc([O-])c(CN(C)[C@@H](C)c2ccc(F)cc2)n1 ZINC000122175793 187019074 /nfs/dbraw/zinc/01/90/74/187019074.db2.gz XZLMFTWOPOOOGY-LBPRGKRZSA-N -1 3 274.339 3.428 20 0 CGADHM CC1(CC(=O)Nc2cccc(-c3nnn[n-]3)c2)CCCCC1 ZINC000123076121 187070026 /nfs/dbraw/zinc/07/00/26/187070026.db2.gz DHAKLHVUSDFLRZ-UHFFFAOYSA-N -1 3 299.378 3.166 20 0 CGADHM CC1(CC(=O)Nc2cccc(-c3nn[n-]n3)c2)CCCCC1 ZINC000123076121 187070027 /nfs/dbraw/zinc/07/00/27/187070027.db2.gz DHAKLHVUSDFLRZ-UHFFFAOYSA-N -1 3 299.378 3.166 20 0 CGADHM O=C([N-]c1ccncc1F)c1cc(-c2ccccc2)on1 ZINC000122743983 187048490 /nfs/dbraw/zinc/04/84/90/187048490.db2.gz UJFYSBYZTWCYHI-UHFFFAOYSA-N -1 3 283.262 3.128 20 0 CGADHM Cc1cc(C(=O)N(C)C2CCC(F)(F)CC2)ccc1[O-] ZINC000291749953 198080093 /nfs/dbraw/zinc/08/00/93/198080093.db2.gz PZDCUGUMYOHNBG-UHFFFAOYSA-N -1 3 283.318 3.351 20 0 CGADHM CCc1cc(C(=O)NCCCC(F)(F)F)ccc1[O-] ZINC000291890427 198097306 /nfs/dbraw/zinc/09/73/06/198097306.db2.gz IZRKYZOSHNPOTJ-UHFFFAOYSA-N -1 3 275.270 3.027 20 0 CGADHM CC[C@H](C)CON=C([O-])Nc1ccc(F)c(F)c1F ZINC000291978374 198123440 /nfs/dbraw/zinc/12/34/40/198123440.db2.gz YMVSYGMCWCAKTK-ZETCQYMHSA-N -1 3 276.258 3.203 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)Nc1ccc(F)c(F)c1F ZINC000291978374 198123441 /nfs/dbraw/zinc/12/34/41/198123441.db2.gz YMVSYGMCWCAKTK-ZETCQYMHSA-N -1 3 276.258 3.203 20 0 CGADHM COc1cccc(C(=O)N2CC[C@H](C)C3(CCC3)C2)c1[O-] ZINC000271458152 191150736 /nfs/dbraw/zinc/15/07/36/191150736.db2.gz ZXJORFGHXYNZOS-LBPRGKRZSA-N -1 3 289.375 3.053 20 0 CGADHM CSc1ccccc1CN(C)C(=O)c1cccc([O-])c1 ZINC000352299790 219397577 /nfs/dbraw/zinc/39/75/77/219397577.db2.gz SBHFYUBNAOFUIO-UHFFFAOYSA-N -1 3 287.384 3.386 20 0 CGADHM CC1(C)CN(C(=O)c2ccccc2[O-])[C@H]1c1cccnc1 ZINC000292246829 198217089 /nfs/dbraw/zinc/21/70/89/198217089.db2.gz FAPKKRHADCTFTL-HNNXBMFYSA-N -1 3 282.343 3.011 20 0 CGADHM CC(C)[C@@H](Cc1ccccc1)C(=O)[N-]OCc1cccnc1 ZINC000155895547 188233827 /nfs/dbraw/zinc/23/38/27/188233827.db2.gz XPNZTCOICNJIGX-QGZVFWFLSA-N -1 3 298.386 3.144 20 0 CGADHM C[C@@H](C(=O)Nc1ccc([O-])c(Cl)c1)N1[C@@H](C)CC[C@@H]1C ZINC000156583834 188270869 /nfs/dbraw/zinc/27/08/69/188270869.db2.gz IMEXLISATCDNGZ-DCAQKATOSA-N -1 3 296.798 3.245 20 0 CGADHM O=c1cc(COc2ccccc2Cl)nc(C2CC2)[n-]1 ZINC000412973567 235232621 /nfs/dbraw/zinc/23/26/21/235232621.db2.gz AGFPKSDJNSSSFX-UHFFFAOYSA-N -1 3 276.723 3.292 20 0 CGADHM O=C([N-]c1cc(C(F)(F)F)ccc1F)c1ccon1 ZINC000102820659 295925988 /nfs/dbraw/zinc/92/59/88/295925988.db2.gz HAABKUZRDMOARZ-UHFFFAOYSA-N -1 3 274.173 3.085 20 0 CGADHM CCS[C@@H](C)c1noc(-c2ccccc2[O-])n1 ZINC000273797407 192312923 /nfs/dbraw/zinc/31/29/23/192312923.db2.gz BFTHVHORNDVQTL-QMMMGPOBSA-N -1 3 250.323 3.256 20 0 CGADHM O=C(Nc1ccc([O-])cc1F)[C@@H]1CCCC(F)(F)C1 ZINC000336338858 213187093 /nfs/dbraw/zinc/18/70/93/213187093.db2.gz RLHLMTFLOYHNCC-MRVPVSSYSA-N -1 3 273.254 3.295 20 0 CGADHM O=C(Cc1cc(F)c(F)cc1F)Nc1ccc([O-])cc1F ZINC000124618669 138376103 /nfs/dbraw/zinc/37/61/03/138376103.db2.gz VCDWWNVVYNJFFT-UHFFFAOYSA-N -1 3 299.223 3.130 20 0 CGADHM Cc1ccc([O-])c(C(=O)N(C)[C@@H](C)c2ccco2)c1 ZINC000123979875 138371796 /nfs/dbraw/zinc/37/17/96/138371796.db2.gz QOYDJPXVLOUGPY-NSHDSACASA-N -1 3 259.305 3.127 20 0 CGADHM O=C(NCCc1cccs1)c1cc([O-])ccc1Cl ZINC000236613548 138514221 /nfs/dbraw/zinc/51/42/21/138514221.db2.gz SXSLRWIVOMBQKI-UHFFFAOYSA-N -1 3 281.764 3.080 20 0 CGADHM Cc1ccc([C@H](NCc2cccc(C)c2)C(=O)[O-])cc1 ZINC000426677492 236306105 /nfs/dbraw/zinc/30/61/05/236306105.db2.gz LYQFRBSGSBGNAR-INIZCTEOSA-N -1 3 269.344 3.219 20 0 CGADHM Cc1ccc([C@@H](NCc2cc(F)cc(F)c2)C(=O)[O-])cc1 ZINC000426716951 236307581 /nfs/dbraw/zinc/30/75/81/236307581.db2.gz YXIQWDMZKCWIDT-OAHLLOKOSA-N -1 3 291.297 3.189 20 0 CGADHM Cc1ccc(F)cc1CN[C@@H](C(=O)[O-])c1cccc(F)c1 ZINC000426825925 236317365 /nfs/dbraw/zinc/31/73/65/236317365.db2.gz CJAUNPBNORKTGD-OAHLLOKOSA-N -1 3 291.297 3.189 20 0 CGADHM CCCc1nc(C)c(C(=O)Nc2c(C)cccc2[O-])o1 ZINC000294630947 199113959 /nfs/dbraw/zinc/11/39/59/199113959.db2.gz QQQQNFFNDARMNT-UHFFFAOYSA-N -1 3 274.320 3.202 20 0 CGADHM Cc1ncsc1CCNCc1cccc([O-])c1Cl ZINC000294736229 199159408 /nfs/dbraw/zinc/15/94/08/199159408.db2.gz DQFPGIALNBYKHB-UHFFFAOYSA-N -1 3 282.796 3.143 20 0 CGADHM COc1ccc(C(=O)N2CC(C)(C)[C@@H]3CCC[C@H]32)c([O-])c1 ZINC000294728461 199154297 /nfs/dbraw/zinc/15/42/97/199154297.db2.gz LLVVYVDHNHZHLY-ZIAGYGMSSA-N -1 3 289.375 3.052 20 0 CGADHM Cc1ccc(C(=O)NC/C=C/c2ccccc2)c([O-])c1 ZINC000436546697 237127980 /nfs/dbraw/zinc/12/79/80/237127980.db2.gz LAWCHJXZRRBTDS-VMPITWQZSA-N -1 3 267.328 3.144 20 0 CGADHM C[C@H](OCCCNC(=O)c1ccccc1[O-])c1ccccc1 ZINC000436724885 237164732 /nfs/dbraw/zinc/16/47/32/237164732.db2.gz VLRZKAQHHLFJHI-AWEZNQCLSA-N -1 3 299.370 3.290 20 0 CGADHM COc1ccc(CC[C@H](C)NC(=O)c2ccccc2[O-])cc1 ZINC000436721944 237167415 /nfs/dbraw/zinc/16/74/15/237167415.db2.gz ZHGJKQNKUODPJQ-ZDUSSCGKSA-N -1 3 299.370 3.152 20 0 CGADHM Cc1ccc(C(=O)N[C@@H](C)c2cccc(F)c2F)c([O-])c1 ZINC000436867566 237197198 /nfs/dbraw/zinc/19/71/98/237197198.db2.gz DDMHXGCKEPTRFB-JTQLQIEISA-N -1 3 291.297 3.470 20 0 CGADHM Cc1ccc([O-])c(-c2nc(-c3cncc(C)c3)no2)c1 ZINC000436892478 237202609 /nfs/dbraw/zinc/20/26/09/237202609.db2.gz JSGGCBMJHUUDSL-UHFFFAOYSA-N -1 3 267.288 3.121 20 0 CGADHM Cc1cc(C(=O)NCc2ccc(OC(C)C)cc2)ccc1[O-] ZINC000436928713 237213682 /nfs/dbraw/zinc/21/36/82/237213682.db2.gz STRVHCJOHPYYPO-UHFFFAOYSA-N -1 3 299.370 3.418 20 0 CGADHM Cc1cc(C)cc(CCNC(=O)c2ccc([O-])c(C)c2)c1 ZINC000436939543 237215366 /nfs/dbraw/zinc/21/53/66/237215366.db2.gz ZXBNQLBNQXBEGS-UHFFFAOYSA-N -1 3 283.371 3.290 20 0 CGADHM Cc1ccc(C(=O)NC[C@@H]2CCC(F)(F)C2)c([O-])c1C ZINC000437003368 237230445 /nfs/dbraw/zinc/23/04/45/237230445.db2.gz SWIGRHZZHKPXAO-LLVKDONJSA-N -1 3 283.318 3.174 20 0 CGADHM O=C(c1cccc([O-])c1)N1CCC(c2ccc(O)cc2)CC1 ZINC000298054656 200324945 /nfs/dbraw/zinc/32/49/45/200324945.db2.gz BMQCHDDSRIOSNG-UHFFFAOYSA-N -1 3 297.354 3.118 20 0 CGADHM Cc1cccc(C(=O)N([C@H](C)C(C)C)C2CC2)c1[O-] ZINC000298310260 200391621 /nfs/dbraw/zinc/39/16/21/200391621.db2.gz OONPWGMHLNNMEC-GFCCVEGCSA-N -1 3 261.365 3.350 20 0 CGADHM Cc1ccc(C(=O)N([C@@H](C)C2CC2)C2CC2)c([O-])c1 ZINC000298332017 200397386 /nfs/dbraw/zinc/39/73/86/200397386.db2.gz ONJVNRLYBPPKMQ-NSHDSACASA-N -1 3 259.349 3.104 20 0 CGADHM CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)Nc1ncccc1[O-] ZINC000341890811 216139674 /nfs/dbraw/zinc/13/96/74/216139674.db2.gz QUYMIAJCPJGPBP-DYEKYZERSA-N -1 3 292.379 3.100 20 0 CGADHM CCc1cc(=O)[n-]c(CSCc2nc(C)c(C)s2)n1 ZINC000177969818 189082502 /nfs/dbraw/zinc/08/25/02/189082502.db2.gz XBPLJIWDRKPTMY-UHFFFAOYSA-N -1 3 295.433 3.251 20 0 CGADHM Cc1cc(C)cc(-c2cc(=NC(=O)CC3CCC3)[nH][n-]2)c1 ZINC000439159219 238235076 /nfs/dbraw/zinc/23/50/76/238235076.db2.gz QYHDOEWDGKRLKX-UHFFFAOYSA-N -1 3 283.375 3.244 20 0 CGADHM C[C@@H]([N-]C(=O)C(C)(Cl)Cl)c1cccc(F)c1F ZINC000182320719 189320244 /nfs/dbraw/zinc/32/02/44/189320244.db2.gz DNKSWCKJKWILQT-ZCFIWIBFSA-N -1 3 282.117 3.336 20 0 CGADHM O=C(N[C@H](C1CCCC1)C(F)(F)F)c1cccc([O-])c1 ZINC000182577622 189328264 /nfs/dbraw/zinc/32/82/64/189328264.db2.gz JGAIVVBTWCTMGA-GFCCVEGCSA-N -1 3 287.281 3.243 20 0 CGADHM CCC[C@H]1C[C@H](C(=O)Nc2c(C)cccc2[O-])CCO1 ZINC000182974863 189341202 /nfs/dbraw/zinc/34/12/02/189341202.db2.gz LRJJFWLLCHXAQD-OLZOCXBDSA-N -1 3 277.364 3.234 20 0 CGADHM CCO[N-]C(=O)Nc1cccc(N2CCCCCC2)c1 ZINC000182995193 189341511 /nfs/dbraw/zinc/34/15/11/189341511.db2.gz LOFOWBDTEPAXHW-UHFFFAOYSA-N -1 3 277.368 3.140 20 0 CGADHM CCO[N-]C(=O)Nc1cc(C(F)(F)F)ccc1C ZINC000183009825 189342993 /nfs/dbraw/zinc/34/29/93/189342993.db2.gz MKQVAWRZECTWDM-UHFFFAOYSA-N -1 3 262.231 3.087 20 0 CGADHM C[C@H]1[C@@H](C(F)(F)F)CCN1Cc1c(F)ccc([O-])c1F ZINC000353256699 291271783 /nfs/dbraw/zinc/27/17/83/291271783.db2.gz IUHRNTCHLVZKCR-CBAPKCEASA-N -1 3 295.251 3.443 20 0 CGADHM CC(C)(C)c1csc(C[S@](=O)c2cccc([O-])c2)n1 ZINC000184061909 189375326 /nfs/dbraw/zinc/37/53/26/189375326.db2.gz FZWFGEFRYPKLII-IBGZPJMESA-N -1 3 295.429 3.454 20 0 CGADHM CCO[N-]C(=O)Nc1cccc(OC2CCCC2)c1 ZINC000183906865 189370856 /nfs/dbraw/zinc/37/08/56/189370856.db2.gz XZFUYMHCLBPDDN-UHFFFAOYSA-N -1 3 264.325 3.081 20 0 CGADHM CC(=O)c1ccc(C(=O)[N-]c2cc(F)ccc2F)o1 ZINC000335745596 212478305 /nfs/dbraw/zinc/47/83/05/212478305.db2.gz MMHKUHDUVFTGGN-UHFFFAOYSA-N -1 3 265.215 3.013 20 0 CGADHM CCCN(CC(F)F)C(=O)c1cccc(CC)c1[O-] ZINC000537639039 376190047 /nfs/dbraw/zinc/19/00/47/376190047.db2.gz YECIRSCUFQKDQY-UHFFFAOYSA-N -1 3 271.307 3.072 20 0 CGADHM O=C([N-][C@@H](c1cc(F)ccc1F)C(F)F)[C@H]1CC1(F)F ZINC000451290425 240266781 /nfs/dbraw/zinc/26/67/81/240266781.db2.gz XINDLYAFCVIXLB-APPZFPTMSA-N -1 3 297.198 3.042 20 0 CGADHM CCc1cc(=O)[n-]c(CN2CC3(CCC3)[C@H]2c2ccco2)n1 ZINC000451866542 240374808 /nfs/dbraw/zinc/37/48/08/240374808.db2.gz YQLSWTUGKWIXCT-MRXNPFEDSA-N -1 3 299.374 3.065 20 0 CGADHM Cc1ccc(C(=O)N2C[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)c([O-])c1C ZINC000452607606 240567761 /nfs/dbraw/zinc/56/77/61/240567761.db2.gz TUZZISLWZLZART-DZASIIFFSA-N -1 3 297.398 3.293 20 0 CGADHM CC[C@H](NC(=O)NCc1ccc([O-])c(F)c1)C1CCCC1 ZINC000455507678 241270887 /nfs/dbraw/zinc/27/08/87/241270887.db2.gz DGRYXDFNQOIKLN-AWEZNQCLSA-N -1 3 294.370 3.299 20 0 CGADHM CC(C)[C@H]1CN(C(=O)Cc2ccc([O-])c(F)c2)[C@H]1C(C)C ZINC000456292200 241393026 /nfs/dbraw/zinc/39/30/26/241393026.db2.gz ORPMXQPRJGJONS-DYVFJYSZSA-N -1 3 293.382 3.213 20 0 CGADHM C[C@@H]1c2ccccc2CCN1Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459339518 242080055 /nfs/dbraw/zinc/08/00/55/242080055.db2.gz DLROWHWFKUYLMD-GFCCVEGCSA-N -1 3 295.386 3.179 20 0 CGADHM CN(CCC1CC1)Cc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000459363505 242091774 /nfs/dbraw/zinc/09/17/74/242091774.db2.gz IKCWXSAANCPECV-UHFFFAOYSA-N -1 3 283.375 3.081 20 0 CGADHM CC(C)(C)c1ccc(S(=O)(=O)[N-]CCCCF)s1 ZINC000462129424 242330257 /nfs/dbraw/zinc/33/02/57/242330257.db2.gz QRGGSJLQBDPOQS-UHFFFAOYSA-N -1 3 293.429 3.074 20 0 CGADHM O=C(N[C@@H]1CCCc2ccc(F)cc21)c1cccc([O-])c1 ZINC000357420394 284040442 /nfs/dbraw/zinc/04/04/42/284040442.db2.gz GNFUVPHZCLYXKW-MRXNPFEDSA-N -1 3 285.318 3.339 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2Cc3ccc(C)cc3C2)c1 ZINC000482832382 243243810 /nfs/dbraw/zinc/24/38/10/243243810.db2.gz QJINUKDWQINXDT-UHFFFAOYSA-N -1 3 281.355 3.419 20 0 CGADHM CC(C)COc1ccc(CN2CCC(C(=O)[O-])CC2)cc1 ZINC000003747757 368517531 /nfs/dbraw/zinc/51/75/31/368517531.db2.gz IUYJKKIKWWQLML-UHFFFAOYSA-N -1 3 291.391 3.018 20 0 CGADHM O=S(=O)([N-]C1CCCC1)c1ccc(Cl)c(Cl)c1 ZINC000016092971 368707840 /nfs/dbraw/zinc/70/78/40/368707840.db2.gz ADWZDYHKPFBZPR-UHFFFAOYSA-N -1 3 294.203 3.214 20 0 CGADHM Cc1ccc(C(=O)N[C@H](C)c2ccccc2)c([O-])c1 ZINC000019836879 368770327 /nfs/dbraw/zinc/77/03/27/368770327.db2.gz OHERBSKGODGWOJ-GFCCVEGCSA-N -1 3 255.317 3.192 20 0 CGADHM Cc1cccc(-c2nc(-c3ccc([O-])cc3)no2)c1 ZINC000034956077 368981847 /nfs/dbraw/zinc/98/18/47/368981847.db2.gz XJYMXVQRMSAKSO-UHFFFAOYSA-N -1 3 252.273 3.418 20 0 CGADHM Cc1ncsc1/C=C\C(=O)Nc1ccc(C)cc1[O-] ZINC000492957739 244060036 /nfs/dbraw/zinc/06/00/36/244060036.db2.gz UDSMAXHZENNQKT-WAYWQWQTSA-N -1 3 274.345 3.117 20 0 CGADHM CCc1ccc(CN(C)C(=O)/C=C\c2cncc([O-])c2)cc1 ZINC000493286682 244131844 /nfs/dbraw/zinc/13/18/44/244131844.db2.gz DRUJYEXMNYCBHL-HJWRWDBZSA-N -1 3 296.370 3.021 20 0 CGADHM CCN(Cc1cccs1)C(=O)c1cccc([O-])c1 ZINC000042209093 369204152 /nfs/dbraw/zinc/20/41/52/369204152.db2.gz DHJYVBZQRJPRGP-UHFFFAOYSA-N -1 3 261.346 3.116 20 0 CGADHM CCc1ccc(/C=C\C(=O)Nc2cccc([O-])c2F)o1 ZINC000493755862 244227514 /nfs/dbraw/zinc/22/75/14/244227514.db2.gz MDBDBFFSVLCPDK-HJWRWDBZSA-N -1 3 275.279 3.339 20 0 CGADHM CCCC(C)(C)CC(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000495119436 244359528 /nfs/dbraw/zinc/35/95/28/244359528.db2.gz KLXGJBRPVJEEMZ-UHFFFAOYSA-N -1 3 287.367 3.022 20 0 CGADHM CCCC(C)(C)CC(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000495119436 244359531 /nfs/dbraw/zinc/35/95/31/244359531.db2.gz KLXGJBRPVJEEMZ-UHFFFAOYSA-N -1 3 287.367 3.022 20 0 CGADHM CCCC(C)(C)CC(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000495119436 244359536 /nfs/dbraw/zinc/35/95/36/244359536.db2.gz KLXGJBRPVJEEMZ-UHFFFAOYSA-N -1 3 287.367 3.022 20 0 CGADHM CS[C@H]1CCC[C@@H](NC(=O)c2ccc([O-])c(C)c2)C1 ZINC000226717832 189777027 /nfs/dbraw/zinc/77/70/27/189777027.db2.gz ZTINLEDSNAJDOP-OLZOCXBDSA-N -1 3 279.405 3.105 20 0 CGADHM CCc1ccc(C(=O)N(CC)Cc2ccncc2)c([O-])c1 ZINC000276211202 193243915 /nfs/dbraw/zinc/24/39/15/193243915.db2.gz LGDKBXWANKAKRQ-UHFFFAOYSA-N -1 3 284.359 3.012 20 0 CGADHM O=C(c1ccccc1[O-])N1CCC2(CCCC2)CC1 ZINC000062959689 369633092 /nfs/dbraw/zinc/63/30/92/369633092.db2.gz KREZBZBEMVGJDB-UHFFFAOYSA-N -1 3 259.349 3.189 20 0 CGADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)CCC(C)C)cc2)n1 ZINC000064342448 369651950 /nfs/dbraw/zinc/65/19/50/369651950.db2.gz JJTBQFONJJHWCN-UHFFFAOYSA-N -1 3 299.374 3.120 20 0 CGADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)CC(C)(C)C)cc2)n1 ZINC000064343018 369652198 /nfs/dbraw/zinc/65/21/98/369652198.db2.gz YVLQVVNOHVKKHD-UHFFFAOYSA-N -1 3 299.374 3.120 20 0 CGADHM O=C([O-])C1CCC(CNCc2cccc(Cl)c2F)CC1 ZINC000097472066 370242594 /nfs/dbraw/zinc/24/25/94/370242594.db2.gz YJZCVGMXINGERF-UHFFFAOYSA-N -1 3 299.773 3.460 20 0 CGADHM C[C@@H]1CCCC[C@@H]1CC[N-]S(=O)(=O)c1cccs1 ZINC000512141841 245020900 /nfs/dbraw/zinc/02/09/00/245020900.db2.gz CPDCFPYIPYYCOR-VXGBXAGGSA-N -1 3 287.450 3.243 20 0 CGADHM CC[C@H](NCc1nc(C)ccc1[O-])c1ccccc1 ZINC000112716904 370446038 /nfs/dbraw/zinc/44/60/38/370446038.db2.gz UCOITASQLYYTIJ-AWEZNQCLSA-N -1 3 256.349 3.337 20 0 CGADHM O=C(Nc1nnc(-c2ccco2)[n-]1)c1coc2ccccc12 ZINC000113169516 370467058 /nfs/dbraw/zinc/46/70/58/370467058.db2.gz BKVFVTYNRVQUEZ-UHFFFAOYSA-N -1 3 294.270 3.063 20 0 CGADHM O=C(Nc1nc(-c2ccco2)n[n-]1)c1coc2ccccc12 ZINC000113169516 370467062 /nfs/dbraw/zinc/46/70/62/370467062.db2.gz BKVFVTYNRVQUEZ-UHFFFAOYSA-N -1 3 294.270 3.063 20 0 CGADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1coc2ccccc12 ZINC000113169516 370467066 /nfs/dbraw/zinc/46/70/66/370467066.db2.gz BKVFVTYNRVQUEZ-UHFFFAOYSA-N -1 3 294.270 3.063 20 0 CGADHM CSC[C@@H](C)C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000116979330 370577034 /nfs/dbraw/zinc/57/70/34/370577034.db2.gz JMJAYDKWLLCLSE-MRVPVSSYSA-N -1 3 273.785 3.292 20 0 CGADHM CCC[C@@H]1SCCN1C(=O)c1cccc(C)c1[O-] ZINC000130270577 371021891 /nfs/dbraw/zinc/02/18/91/371021891.db2.gz UYFPEHDVPDTLAY-LBPRGKRZSA-N -1 3 265.378 3.016 20 0 CGADHM Cc1ccc(-c2nc([C@H]3CCO[C@@H](C)C3)no2)c([O-])c1C ZINC000331636894 204033216 /nfs/dbraw/zinc/03/32/16/204033216.db2.gz IVIXVXXQKSKGJT-JQWIXIFHSA-N -1 3 288.347 3.342 20 0 CGADHM O=C([N-]c1cc(-c2ccccc2)on1)c1ccco1 ZINC000173069801 284272437 /nfs/dbraw/zinc/27/24/37/284272437.db2.gz HSEOTOQUXQZDKI-UHFFFAOYSA-N -1 3 254.245 3.187 20 0 CGADHM Cc1ccc(CN(C)C(=O)Cc2ccc([O-])cc2Cl)o1 ZINC000136052535 371458385 /nfs/dbraw/zinc/45/83/85/371458385.db2.gz CCHJQRNCFCXJOG-UHFFFAOYSA-N -1 3 293.750 3.148 20 0 CGADHM C[C@@H]1CCC[C@@H](NC(=O)Cc2ccc([O-])cc2Cl)C1 ZINC000136149682 371463039 /nfs/dbraw/zinc/46/30/39/371463039.db2.gz UHQLZGNAFKNVDK-ZYHUDNBSSA-N -1 3 281.783 3.283 20 0 CGADHM O=C(Cc1ccc([O-])cc1Cl)NC[C@H]1CC=CCC1 ZINC000136219252 371468985 /nfs/dbraw/zinc/46/89/85/371468985.db2.gz BWCFEDDPTNVUGJ-NSHDSACASA-N -1 3 279.767 3.061 20 0 CGADHM CC[C@@H]1CN(C(=O)c2ccc(C)c(C)c2[O-])C[C@@H](CC)O1 ZINC000421973299 371716560 /nfs/dbraw/zinc/71/65/60/371716560.db2.gz KZIUFYPUYGCDFA-ZIAGYGMSSA-N -1 3 291.391 3.039 20 0 CGADHM C[C@@H]1CCN(C(=O)[C@@]23C[C@@H]2CCC3)c2c([O-])cccc21 ZINC000421860749 371683755 /nfs/dbraw/zinc/68/37/55/371683755.db2.gz GWTMEZCQXMEUAO-PEBVRCNWSA-N -1 3 271.360 3.423 20 0 CGADHM O=C(Nc1ccc(Cl)cc1[O-])c1cccc(F)c1 ZINC000153427856 371766842 /nfs/dbraw/zinc/76/68/42/371766842.db2.gz AGAGDLPQUKTUQA-UHFFFAOYSA-N -1 3 265.671 3.437 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])c1cc(F)c(F)cc1F ZINC000153520235 371774220 /nfs/dbraw/zinc/77/42/20/371774220.db2.gz XQVBLMSUMRXCNG-UHFFFAOYSA-N -1 3 285.196 3.201 20 0 CGADHM COCC1(c2noc(-c3ccccc3[O-])n2)CCCCC1 ZINC000290222359 371938842 /nfs/dbraw/zinc/93/88/42/371938842.db2.gz YFHVIDXLPXSUFH-UHFFFAOYSA-N -1 3 288.347 3.291 20 0 CGADHM COC1(CNC(=O)c2cc([O-])ccc2Cl)CCCCC1 ZINC000290801691 372053737 /nfs/dbraw/zinc/05/37/37/372053737.db2.gz TUXWHYYVHZOYOL-UHFFFAOYSA-N -1 3 297.782 3.125 20 0 CGADHM Cc1ccc(C(=O)N2CCCc3occc3C2)c([O-])c1C ZINC000290818202 372058691 /nfs/dbraw/zinc/05/86/91/372058691.db2.gz ZMQPDKUBLRBKFX-UHFFFAOYSA-N -1 3 285.343 3.191 20 0 CGADHM O=C(N[C@@H]1CCC[C@H](C2CC2)C1)c1cccc([O-])c1 ZINC000425162308 372115934 /nfs/dbraw/zinc/11/59/34/372115934.db2.gz UTWFFCGASWHDHD-GXTWGEPZSA-N -1 3 259.349 3.091 20 0 CGADHM Cc1cccc(C(=O)N2CC3(CCC3)[C@@H]2C2CC2)c1[O-] ZINC000291266496 372150010 /nfs/dbraw/zinc/15/00/10/372150010.db2.gz ZFGXGJDNMYXOHH-HNNXBMFYSA-N -1 3 271.360 3.105 20 0 CGADHM CCc1cc(C(=O)N(CC)CC(C)(C)C)ccc1[O-] ZINC000428664084 372246323 /nfs/dbraw/zinc/24/63/23/372246323.db2.gz LPXDAWBZLJSAJD-UHFFFAOYSA-N -1 3 263.381 3.463 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)Nc1ccc2ccn(C)c2c1 ZINC000292955932 372260332 /nfs/dbraw/zinc/26/03/32/372260332.db2.gz AVVBVOWOHCLNMI-NSHDSACASA-N -1 3 275.352 3.278 20 0 CGADHM CCOC[C@@H](NCc1cccc([O-])c1Cl)C(C)C ZINC000293292080 372346817 /nfs/dbraw/zinc/34/68/17/372346817.db2.gz OYBYSSZTVLDVHT-GFCCVEGCSA-N -1 3 271.788 3.196 20 0 CGADHM CO[C@H](c1noc(/C=C/c2cccc([O-])c2)n1)C1CC1 ZINC000293480208 372392478 /nfs/dbraw/zinc/39/24/78/372392478.db2.gz STIHJVQXSLMKCL-GPAKFWEMSA-N -1 3 272.304 3.043 20 0 CGADHM C[C@]1(CCCO)CCCN1Cc1cccc([O-])c1Cl ZINC000293510768 372399611 /nfs/dbraw/zinc/39/96/11/372399611.db2.gz AAXJYJGINNJMIM-OAHLLOKOSA-N -1 3 283.799 3.173 20 0 CGADHM [O-]c1cccc(CNCCCNc2ccccn2)c1Cl ZINC000293603660 372421969 /nfs/dbraw/zinc/42/19/69/372421969.db2.gz PCKLBJVFKWJRPD-UHFFFAOYSA-N -1 3 291.782 3.032 20 0 CGADHM CC(C)[C@H]1N(C(=O)c2cccc([O-])c2)CC12CCC2 ZINC000293623454 372427418 /nfs/dbraw/zinc/42/74/18/372427418.db2.gz CGNMLVQNEPWDNR-CQSZACIVSA-N -1 3 259.349 3.043 20 0 CGADHM C[C@H](CC(=O)[N-]OCCC(F)(F)F)c1ccc(F)cc1 ZINC000162859165 372429456 /nfs/dbraw/zinc/42/94/56/372429456.db2.gz PFFWEVLOVGRGPS-SECBINFHSA-N -1 3 293.260 3.320 20 0 CGADHM c1csc([N-]c2ncnc3c2cnn3-c2ccccc2)n1 ZINC000163076034 372445588 /nfs/dbraw/zinc/44/55/88/372445588.db2.gz FCINQCAWBFVKNL-UHFFFAOYSA-N -1 3 294.343 3.016 20 0 CGADHM COC(=O)c1cc(C(=O)Nc2ccc(C(C)C)cc2)c[n-]1 ZINC000431256461 372448742 /nfs/dbraw/zinc/44/87/42/372448742.db2.gz HQPAMOGOEHFXDG-UHFFFAOYSA-N -1 3 286.331 3.177 20 0 CGADHM Cc1cccc(C(=O)N2CC3(CCC3)[C@@H]2C(C)C)c1[O-] ZINC000293725442 372463359 /nfs/dbraw/zinc/46/33/59/372463359.db2.gz TXAZAINWAGDKGC-HNNXBMFYSA-N -1 3 273.376 3.351 20 0 CGADHM CC(C)c1ccccc1NC(=O)c1cc(F)cc2[n-]nnc21 ZINC000431517978 372482995 /nfs/dbraw/zinc/48/29/95/372482995.db2.gz HYWPCIVWIMIJTL-UHFFFAOYSA-N -1 3 298.321 3.473 20 0 CGADHM CC(C)c1ccccc1NC(=O)c1cc(F)cc2nn[n-]c21 ZINC000431517978 372483000 /nfs/dbraw/zinc/48/30/00/372483000.db2.gz HYWPCIVWIMIJTL-UHFFFAOYSA-N -1 3 298.321 3.473 20 0 CGADHM CC(C)c1ccccc1NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000431517978 372483007 /nfs/dbraw/zinc/48/30/07/372483007.db2.gz HYWPCIVWIMIJTL-UHFFFAOYSA-N -1 3 298.321 3.473 20 0 CGADHM CCN(C(=O)c1c[n-]c2c(C)cc(C)cc2c1=O)C1CC1 ZINC000164951860 372538773 /nfs/dbraw/zinc/53/87/73/372538773.db2.gz ACXYSCAAXJCJDH-UHFFFAOYSA-N -1 3 284.359 3.182 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)c1cnc(C)c(Cl)c1Cl ZINC000293867844 372505748 /nfs/dbraw/zinc/50/57/48/372505748.db2.gz YFCPCPVITUCUBM-ZETCQYMHSA-N -1 3 291.178 3.404 20 0 CGADHM COc1ccc(C(F)(F)C(=O)[N-]Cc2occc2C)cc1 ZINC000293870227 372508050 /nfs/dbraw/zinc/50/80/50/372508050.db2.gz YHUXCAFVJCQVHY-UHFFFAOYSA-N -1 3 295.285 3.005 20 0 CGADHM Cc1cc(C)c2[n-]cc(C(=O)N(C)C3CCC3)c(=O)c2c1 ZINC000164149049 372509663 /nfs/dbraw/zinc/50/96/63/372509663.db2.gz QUNLAMRONGQAIF-UHFFFAOYSA-N -1 3 284.359 3.182 20 0 CGADHM O=c1[n-]c(-c2cscn2)nc2ccc(Cl)cc12 ZINC000432510836 372569409 /nfs/dbraw/zinc/56/94/09/372569409.db2.gz RNOVDNFIISFZRW-UHFFFAOYSA-N -1 3 263.709 3.112 20 0 CGADHM CC[C@H](CSC)N(C)Cc1cc(C(=O)[O-])sc1C ZINC000167732073 372602072 /nfs/dbraw/zinc/60/20/72/372602072.db2.gz PIMPFSWQCCUEGQ-LLVKDONJSA-N -1 3 287.450 3.328 20 0 CGADHM CC1(C)C[C@@H](O)CCN(Cc2cccc([O-])c2Cl)C1 ZINC000295301246 372729775 /nfs/dbraw/zinc/72/97/75/372729775.db2.gz VEHLWAMGWHOVJK-LBPRGKRZSA-N -1 3 283.799 3.029 20 0 CGADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CC[C@H]2CCC[C@H]21 ZINC000436834258 296189959 /nfs/dbraw/zinc/18/99/59/296189959.db2.gz LOSSPUGFVVWTPC-MLGOLLRUSA-N -1 3 285.387 3.286 20 0 CGADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CCC[C@@H]1C(F)F ZINC000436696955 372838691 /nfs/dbraw/zinc/83/86/91/372838691.db2.gz KCULJIIKJPKZNH-CYBMUJFWSA-N -1 3 295.329 3.141 20 0 CGADHM CCc1ccc(C(=O)N2C[C@H](C)CC2(C)C)c([O-])c1 ZINC000436835725 372840370 /nfs/dbraw/zinc/84/03/70/372840370.db2.gz WRTZXBPHQUQEBM-LLVKDONJSA-N -1 3 261.365 3.215 20 0 CGADHM Cc1cc(C(=O)N2Cc3ccccc3C[C@H]2C)ccc1[O-] ZINC000436933265 372843330 /nfs/dbraw/zinc/84/33/30/372843330.db2.gz BOMLIUMYPNQJRH-CYBMUJFWSA-N -1 3 281.355 3.288 20 0 CGADHM Cc1ccc(-c2nc([C@H]3CCOC[C@@H]3C)no2)c([O-])c1C ZINC000442686868 373064246 /nfs/dbraw/zinc/06/42/46/373064246.db2.gz LXTAASSZVLSYOO-JQWIXIFHSA-N -1 3 288.347 3.199 20 0 CGADHM CCC1(C(=O)Nc2ccc(OC(F)(F)F)cc2[O-])CC1 ZINC000442924074 373128677 /nfs/dbraw/zinc/12/86/77/373128677.db2.gz JVKKHLPSUZJQGG-UHFFFAOYSA-N -1 3 289.253 3.420 20 0 CGADHM COc1cc(C(=O)NC[C@@H](C)c2cccc(C)c2)ccc1[O-] ZINC000442976638 373137660 /nfs/dbraw/zinc/13/76/60/373137660.db2.gz MYEHUDBPYWERCF-CYBMUJFWSA-N -1 3 299.370 3.243 20 0 CGADHM C[C@@H](C(=O)Nc1cccc(Cl)c1[O-])N1CCCCCC1 ZINC000173473365 373144014 /nfs/dbraw/zinc/14/40/14/373144014.db2.gz OOYQARUSJSJDHS-NSHDSACASA-N -1 3 296.798 3.249 20 0 CGADHM Cc1ccc(F)c(CN(C)C(=O)c2ccc([O-])c(C)c2)c1 ZINC000444433356 373188520 /nfs/dbraw/zinc/18/85/20/373188520.db2.gz USZKFFPLJWABGL-UHFFFAOYSA-N -1 3 287.334 3.420 20 0 CGADHM CSCCCO[N-]C(=O)Cc1cccc2ccccc21 ZINC000174152179 373258132 /nfs/dbraw/zinc/25/81/32/373258132.db2.gz RHEXEUANTQCBHA-UHFFFAOYSA-N -1 3 289.400 3.183 20 0 CGADHM CC1(C)CCCCN(C(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000446683185 373338100 /nfs/dbraw/zinc/33/81/00/373338100.db2.gz RDURTDUOIYSJTB-UHFFFAOYSA-N -1 3 294.370 3.253 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCCCC(C)(C)C2)n1 ZINC000447880684 373514465 /nfs/dbraw/zinc/51/44/65/373514465.db2.gz VYZMVMPOMMGFPT-GFCCVEGCSA-N -1 3 263.385 3.064 20 0 CGADHM Cc1cccc([C@H]2CCN([C@H](C)c3nc(C)cc(=O)[n-]3)C2)c1 ZINC000447887980 373516739 /nfs/dbraw/zinc/51/67/39/373516739.db2.gz HZBTVVLGDDFRQY-ZBFHGGJFSA-N -1 3 297.402 3.350 20 0 CGADHM C[C@@H]1CCCC[C@@H]1NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000299449651 373546427 /nfs/dbraw/zinc/54/64/27/373546427.db2.gz OUBBFPZMNKKBKB-YPMHNXCESA-N -1 3 284.359 3.249 20 0 CGADHM CC(C)c1ccc(C(=O)N(C)CCc2ccncc2)c([O-])c1 ZINC000299586307 373574025 /nfs/dbraw/zinc/57/40/25/373574025.db2.gz DZBFNVPNRVJOCH-UHFFFAOYSA-N -1 3 298.386 3.225 20 0 CGADHM C[C@H]1CCCN(Cc2ccc(Cl)cc2F)[C@H]1C(=O)[O-] ZINC000300268634 373622089 /nfs/dbraw/zinc/62/20/89/373622089.db2.gz ATPJOQANOBYPQN-TVQRCGJNSA-N -1 3 285.746 3.164 20 0 CGADHM C[C@H]([N-]c1nc2ccccc2o1)C(=O)Nc1ccccc1 ZINC000301246034 373708885 /nfs/dbraw/zinc/70/88/85/373708885.db2.gz PZAPQQLYTBJYBY-NSHDSACASA-N -1 3 281.315 3.267 20 0 CGADHM CCc1cc(=O)[n-]c(-c2ccc(NCC=C(C)C)nc2)n1 ZINC000302741647 373948783 /nfs/dbraw/zinc/94/87/83/373948783.db2.gz ZIOSNQRYXZUPTF-UHFFFAOYSA-N -1 3 284.363 3.185 20 0 CGADHM COc1c(C)cc(C(=O)Nc2ccccc2[O-])cc1C ZINC000179803129 373920187 /nfs/dbraw/zinc/92/01/87/373920187.db2.gz SHHLUDMSMHHLJD-UHFFFAOYSA-N -1 3 271.316 3.270 20 0 CGADHM COc1cccc(C(=O)NCc2c(C)cc(C)cc2C)c1[O-] ZINC000302986032 374007855 /nfs/dbraw/zinc/00/78/55/374007855.db2.gz VCVMZWJGYWZVEF-UHFFFAOYSA-N -1 3 299.370 3.256 20 0 CGADHM CCSc1cccc(NC(=O)c2c([O-])cccc2O)c1 ZINC000180853977 374052436 /nfs/dbraw/zinc/05/24/36/374052436.db2.gz QNDUIWQSEIUOHQ-UHFFFAOYSA-N -1 3 289.356 3.462 20 0 CGADHM Cc1cccc(C)c1NC([O-])=NOC/C=C/Cl ZINC000289495562 197374813 /nfs/dbraw/zinc/37/48/13/197374813.db2.gz LKGQRIQQQYOUAO-QPJJXVBHSA-N -1 3 254.717 3.109 20 0 CGADHM Cc1noc([N-]Cc2csc(-c3ccc(C)cc3)n2)n1 ZINC000181518322 374135934 /nfs/dbraw/zinc/13/59/34/374135934.db2.gz DCTGWPKDMHGXFZ-UHFFFAOYSA-N -1 3 286.360 3.422 20 0 CGADHM CCc1cc(=O)[n-]c(CN[C@H](C)C(C)(C)c2ccccc2)n1 ZINC000181776717 374169108 /nfs/dbraw/zinc/16/91/08/374169108.db2.gz XMGHILOTXFDYDP-CYBMUJFWSA-N -1 3 299.418 3.201 20 0 CGADHM CC[C@@H](CNCc1cc(Cl)ccc1F)CC(=O)[O-] ZINC000311085471 374231066 /nfs/dbraw/zinc/23/10/66/374231066.db2.gz GYMZYCSBVNKEAW-SECBINFHSA-N -1 3 273.735 3.070 20 0 CGADHM CC[C@H](Cc1ccccc1)NC(=O)c1cccc([O-])c1 ZINC000182321605 374258943 /nfs/dbraw/zinc/25/89/43/374258943.db2.gz ZUSUGXNLQGGEBL-OAHLLOKOSA-N -1 3 269.344 3.143 20 0 CGADHM O=C(NCCCc1c[nH]c2ccccc12)c1cccc([O-])c1 ZINC000182402009 374270232 /nfs/dbraw/zinc/27/02/32/374270232.db2.gz QBFJCZHMSMRPIW-UHFFFAOYSA-N -1 3 294.354 3.236 20 0 CGADHM O=C(c1cccc2[n-]nnc21)N1CCC[C@H]1C1CCCCC1 ZINC000182729193 374318309 /nfs/dbraw/zinc/31/83/09/374318309.db2.gz UFJNKQAUXISTPB-HNNXBMFYSA-N -1 3 298.390 3.143 20 0 CGADHM O=C(c1cccc2nn[n-]c21)N1CCC[C@H]1C1CCCCC1 ZINC000182729193 374318316 /nfs/dbraw/zinc/31/83/16/374318316.db2.gz UFJNKQAUXISTPB-HNNXBMFYSA-N -1 3 298.390 3.143 20 0 CGADHM O=C(c1cccc2n[n-]nc21)N1CCC[C@H]1C1CCCCC1 ZINC000182729193 374318321 /nfs/dbraw/zinc/31/83/21/374318321.db2.gz UFJNKQAUXISTPB-HNNXBMFYSA-N -1 3 298.390 3.143 20 0 CGADHM Cc1ccc(OCC(=O)Nc2ccc([O-])cc2F)cc1C ZINC000183272367 374395402 /nfs/dbraw/zinc/39/54/02/374395402.db2.gz OZYIXMLVLOZUAD-UHFFFAOYSA-N -1 3 289.306 3.166 20 0 CGADHM CC(C)(C)c1ccc(NC(=O)[C@@H]2CCCCO2)c([O-])c1 ZINC000330399867 374459369 /nfs/dbraw/zinc/45/93/69/374459369.db2.gz JFGSWJILIQNUEH-AWEZNQCLSA-N -1 3 277.364 3.197 20 0 CGADHM COc1ccsc1C(=O)[N-]c1c(C)noc1C1CC1 ZINC000184069112 374489998 /nfs/dbraw/zinc/48/99/98/374489998.db2.gz STOOCTWWMUQHFP-UHFFFAOYSA-N -1 3 278.333 3.183 20 0 CGADHM CCC(=O)Nc1ccc(NCc2cc([O-])cc(F)c2)cc1 ZINC000184137862 374496322 /nfs/dbraw/zinc/49/63/22/374496322.db2.gz ZKTYGPPCYSUQQT-UHFFFAOYSA-N -1 3 288.322 3.492 20 0 CGADHM [O-]c1cc(F)cc(CNc2ccc(F)cc2F)c1 ZINC000184132228 374495372 /nfs/dbraw/zinc/49/53/72/374495372.db2.gz IFNLNDKUUAIBCM-UHFFFAOYSA-N -1 3 253.223 3.422 20 0 CGADHM Cc1cccc(C)c1NC(=O)[N-]OC/C=C/Cl ZINC000289495562 197374815 /nfs/dbraw/zinc/37/48/15/197374815.db2.gz LKGQRIQQQYOUAO-QPJJXVBHSA-N -1 3 254.717 3.109 20 0 CGADHM CC[C@@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)C1CCCC1 ZINC000456676416 374598953 /nfs/dbraw/zinc/59/89/53/374598953.db2.gz BMEMPMIJFIXCLN-CQSZACIVSA-N -1 3 298.386 3.227 20 0 CGADHM CC(C)c1ccc(C(=O)NCCC[C@H]2CCOC2)c([O-])c1 ZINC000456767603 374617426 /nfs/dbraw/zinc/61/74/26/374617426.db2.gz NYXDGVPZCSZQMX-ZDUSSCGKSA-N -1 3 291.391 3.062 20 0 CGADHM Cc1csc(C(C)(C)NCc2cc([O-])cc(F)c2)n1 ZINC000185541023 374683066 /nfs/dbraw/zinc/68/30/66/374683066.db2.gz VCEAKDUMPNJRLP-UHFFFAOYSA-N -1 3 280.368 3.321 20 0 CGADHM CCCO[C@H]1CCCN(Cc2cc([O-])cc(F)c2)CC1 ZINC000186222613 374816769 /nfs/dbraw/zinc/81/67/69/374816769.db2.gz FINVOVJCVOJPSF-INIZCTEOSA-N -1 3 281.371 3.312 20 0 CGADHM Cc1ccncc1NC(=O)c1cn[n-]c1-c1ccsc1 ZINC000186647148 374893434 /nfs/dbraw/zinc/89/34/34/374893434.db2.gz AAQONYMZTDNDOR-UHFFFAOYSA-N -1 3 284.344 3.094 20 0 CGADHM Cc1ccncc1NC(=O)c1c[n-]nc1-c1ccsc1 ZINC000186647148 374893436 /nfs/dbraw/zinc/89/34/36/374893436.db2.gz AAQONYMZTDNDOR-UHFFFAOYSA-N -1 3 284.344 3.094 20 0 CGADHM COc1ccc2c(c1NC(=O)c1cccc([O-])c1)CCC2 ZINC000334554314 374852088 /nfs/dbraw/zinc/85/20/88/374852088.db2.gz NMYKSTHOSOVFPI-UHFFFAOYSA-N -1 3 283.327 3.142 20 0 CGADHM CC(=O)[C@H](C)CCCCC(=O)[N-]OCc1ccc(F)cc1 ZINC000186447426 374852622 /nfs/dbraw/zinc/85/26/22/374852622.db2.gz UFWOTDQOXPPUHQ-GFCCVEGCSA-N -1 3 295.354 3.159 20 0 CGADHM CC(C)(C)C1CC(NC(=O)c2c[n-]c3ccccc3c2=O)C1 ZINC000334255566 206264520 /nfs/dbraw/zinc/26/45/20/206264520.db2.gz OAWWHARSDBLVSN-UHFFFAOYSA-N -1 3 298.386 3.083 20 0 CGADHM Cc1cnccc1NC(=O)c1cn[n-]c1-c1ccsc1 ZINC000186726843 374905793 /nfs/dbraw/zinc/90/57/93/374905793.db2.gz KGDVBKLAVCSJFM-UHFFFAOYSA-N -1 3 284.344 3.094 20 0 CGADHM Cc1cnccc1NC(=O)c1c[n-]nc1-c1ccsc1 ZINC000186726843 374905794 /nfs/dbraw/zinc/90/57/94/374905794.db2.gz KGDVBKLAVCSJFM-UHFFFAOYSA-N -1 3 284.344 3.094 20 0 CGADHM CCc1[n-][nH]c(=NC(=O)C2(c3ccccc3C)CCC2)c1C ZINC000473140642 375044983 /nfs/dbraw/zinc/04/49/83/375044983.db2.gz MJOXCVBJLMXBKL-UHFFFAOYSA-N -1 3 297.402 3.071 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2C[C@H](C)C[C@@H](C)[C@@H]2C)c1 ZINC000476543635 375140957 /nfs/dbraw/zinc/14/09/57/375140957.db2.gz LGTIVENIRUYXOP-UPJWGTAASA-N -1 3 275.392 3.461 20 0 CGADHM C[C@@H]1C[C@@H](C(C)(C)C)CCN1C(=O)c1csc(=O)[n-]1 ZINC000335201162 375221970 /nfs/dbraw/zinc/22/19/70/375221970.db2.gz CKPBIUPRFKBBKG-ZJUUUORDSA-N -1 3 282.409 3.136 20 0 CGADHM O=C(c1cccc([O-])c1)N1CC2(CCC2)[C@H]1c1ccco1 ZINC000335444679 375298271 /nfs/dbraw/zinc/29/82/71/375298271.db2.gz MIKRQAQNCAUWQC-OAHLLOKOSA-N -1 3 283.327 3.353 20 0 CGADHM CCc1cc(C(=O)N2CC[C@@H](C)C(F)(F)C2)ccc1[O-] ZINC000487603161 375262068 /nfs/dbraw/zinc/26/20/68/375262068.db2.gz HAZVDRBORQDGRP-SNVBAGLBSA-N -1 3 283.318 3.072 20 0 CGADHM CC(=O)Nc1ccc(C)c(NC(=O)c2ccc([O-])c(C)c2)c1 ZINC000335695870 375352955 /nfs/dbraw/zinc/35/29/55/375352955.db2.gz WGFFBQMDUOOJOY-UHFFFAOYSA-N -1 3 298.342 3.220 20 0 CGADHM O=C(Nc1cc(C(F)(F)F)ccc1[O-])[C@H]1CCSC1 ZINC000335734621 375387206 /nfs/dbraw/zinc/38/72/06/375387206.db2.gz GZFYUEUUKYPLMA-ZETCQYMHSA-N -1 3 291.294 3.103 20 0 CGADHM Cc1nc([C@H]2CCCN2C(=O)c2cccc([O-])c2)cs1 ZINC000190018187 375468090 /nfs/dbraw/zinc/46/80/90/375468090.db2.gz KQBYWTXQLOQFNF-CQSZACIVSA-N -1 3 288.372 3.134 20 0 CGADHM Cc1cc(C(=O)[N-]c2nc(-c3cccs3)ns2)co1 ZINC000189795194 375446961 /nfs/dbraw/zinc/44/69/61/375446961.db2.gz KBTQNBMPNZSLRW-UHFFFAOYSA-N -1 3 291.357 3.420 20 0 CGADHM CC(=O)c1ccc(C(=O)Nc2cc(F)ccc2[O-])c(F)c1 ZINC000335956361 375569104 /nfs/dbraw/zinc/56/91/04/375569104.db2.gz LLATUIRHJCCWHD-UHFFFAOYSA-N -1 3 291.253 3.125 20 0 CGADHM CC[C@H](C(=O)[O-])N(CC)Cc1ccccc1Cl ZINC000191403855 375624186 /nfs/dbraw/zinc/62/41/86/375624186.db2.gz BTACJVGYPQAHTN-GFCCVEGCSA-N -1 3 255.745 3.025 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])c1ocnc1C1CC1 ZINC000335999197 375604270 /nfs/dbraw/zinc/60/42/70/375604270.db2.gz LKZABRWQBCPKMH-UHFFFAOYSA-N -1 3 278.695 3.163 20 0 CGADHM NC(=O)[C@@H]1CCC[C@@H](C(=O)Nc2cc(Cl)ccc2[O-])C1 ZINC000336044121 375643098 /nfs/dbraw/zinc/64/30/98/375643098.db2.gz KQUYLFSVYXKIIS-RKDXNWHRSA-N -1 3 296.754 3.326 20 0 CGADHM C[C@@H]1CCN(C(=O)c2cc([O-])ccc2Cl)CC1(F)F ZINC000507119354 375674622 /nfs/dbraw/zinc/67/46/22/375674622.db2.gz WXDHALMCUOCUDA-MRVPVSSYSA-N -1 3 289.709 3.163 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CCc3cccc(F)c3C2)c1 ZINC000507721070 375721261 /nfs/dbraw/zinc/72/12/61/375721261.db2.gz ZCYDFMGRKDVUKQ-UHFFFAOYSA-N -1 3 299.345 3.292 20 0 CGADHM O=C([N-]c1c(F)cccc1F)c1ncccc1Cl ZINC000336132512 375711928 /nfs/dbraw/zinc/71/19/28/375711928.db2.gz UGEWFBBDJXCYDT-UHFFFAOYSA-N -1 3 268.650 3.266 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CCC[C@@H]2c2cccnc2)c1 ZINC000336137149 375716851 /nfs/dbraw/zinc/71/68/51/375716851.db2.gz QQSBMIAWUHDZEJ-OAHLLOKOSA-N -1 3 282.343 3.073 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N[C@@H](C)c2ccc(F)c(F)c2)n1 ZINC000192722437 375781964 /nfs/dbraw/zinc/78/19/64/375781964.db2.gz UQRXQYJUXKCZFB-UWVGGRQHSA-N -1 3 293.317 3.181 20 0 CGADHM Cc1noc(C)c1[N-]C(=O)c1cc(C)c(F)cc1F ZINC000336584432 375851131 /nfs/dbraw/zinc/85/11/31/375851131.db2.gz ZZTMWUHRTPRVPG-UHFFFAOYSA-N -1 3 266.247 3.130 20 0 CGADHM COC(=O)c1cnc(S[C@H](C)c2ccc(F)c(F)c2)[n-]1 ZINC000193543595 375893436 /nfs/dbraw/zinc/89/34/36/375893436.db2.gz ACUUXULIYQLDCX-SSDOTTSWSA-N -1 3 298.314 3.328 20 0 CGADHM [O-]c1cccnc1CN[C@@H](c1cccs1)C1CC1 ZINC000520658666 375869591 /nfs/dbraw/zinc/86/95/91/375869591.db2.gz CUUZUCAQQLWPOV-CQSZACIVSA-N -1 3 260.362 3.090 20 0 CGADHM O=C(Nc1cccc([O-])c1F)C(=O)c1ccc(Cl)cc1 ZINC000534944657 376007206 /nfs/dbraw/zinc/00/72/06/376007206.db2.gz LJZZRRNTILXMCL-UHFFFAOYSA-N -1 3 293.681 3.006 20 0 CGADHM Cc1ccc(C(=O)Nc2ccnn2CCC(C)C)c([O-])c1 ZINC000536690367 376121866 /nfs/dbraw/zinc/12/18/66/376121866.db2.gz LEPKKXOGZIHRPR-UHFFFAOYSA-N -1 3 287.363 3.196 20 0 CGADHM CCOc1ccc(F)c([N-]C(=O)c2ccc(F)cn2)c1F ZINC000337184246 376122033 /nfs/dbraw/zinc/12/20/33/376122033.db2.gz SGZFHDLAAXNTFN-UHFFFAOYSA-N -1 3 296.248 3.150 20 0 CGADHM COc1ccccc1[C@@H](C)NCc1cc([O-])cc(F)c1 ZINC000223081637 376245684 /nfs/dbraw/zinc/24/56/84/376245684.db2.gz BIOZIPCBZZSRQQ-LLVKDONJSA-N -1 3 275.323 3.391 20 0 CGADHM Cc1cccc([O-])c1NC(=O)CO[C@@H]1CCC[C@H](C)C1 ZINC000538950839 376281773 /nfs/dbraw/zinc/28/17/73/376281773.db2.gz AAJAZMBXOWDSAO-WCQYABFASA-N -1 3 277.364 3.234 20 0 CGADHM CCCCn1c(=O)[n-]nc1S[C@H]1CC[C@H](C)C1 ZINC000338524883 376410985 /nfs/dbraw/zinc/41/09/85/376410985.db2.gz HVHPEIBKPNXLDG-UWVGGRQHSA-N -1 3 255.387 3.065 20 0 CGADHM Cc1cc(C(=O)Nc2ccc3c(c2)CCC3)ccc1[O-] ZINC000226714947 376370337 /nfs/dbraw/zinc/37/03/37/376370337.db2.gz INYLSZOUFWCBRM-UHFFFAOYSA-N -1 3 267.328 3.442 20 0 CGADHM COC(=O)c1ccc(F)c([N-]C(=O)c2sccc2F)c1 ZINC000338680622 376477359 /nfs/dbraw/zinc/47/73/59/376477359.db2.gz HWERFELHKYYQLS-UHFFFAOYSA-N -1 3 297.282 3.065 20 0 CGADHM O=C([O-])CCN(Cc1ccc(F)cc1F)C1CCCC1 ZINC000262918349 190065105 /nfs/dbraw/zinc/06/51/05/190065105.db2.gz ZDBOYVQDXOMPIG-UHFFFAOYSA-N -1 3 283.318 3.184 20 0 CGADHM Cc1noc(C)c1[N-]C(=O)c1csc(C(C)C)n1 ZINC000263988366 190087972 /nfs/dbraw/zinc/08/79/72/190087972.db2.gz NDGBZMKFFDXQAL-UHFFFAOYSA-N -1 3 265.338 3.124 20 0 CGADHM C[C@H]1CCC[C@H](OCC(=O)Nc2ccc([O-])cc2F)C1 ZINC000541892485 376493338 /nfs/dbraw/zinc/49/33/38/376493338.db2.gz WELSOIHRKHVALH-JQWIXIFHSA-N -1 3 281.327 3.065 20 0 CGADHM COc1cc(-c2noc(-c3ccccc3[O-])n2)ccc1F ZINC000230996835 376551285 /nfs/dbraw/zinc/55/12/85/376551285.db2.gz IBFFFHUGRVMQBJ-UHFFFAOYSA-N -1 3 286.262 3.257 20 0 CGADHM CC1(C)C[C@H]1CNC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000338813736 376543549 /nfs/dbraw/zinc/54/35/49/376543549.db2.gz FCUUFHZYGPTKPY-QMMMGPOBSA-N -1 3 287.281 3.187 20 0 CGADHM CCCC[C@@H]1CCC[C@H]1NC(=O)c1cccc2nn[n-]c21 ZINC000542821263 376582903 /nfs/dbraw/zinc/58/29/03/376582903.db2.gz PPDSFHOBRROTEU-DGCLKSJQSA-N -1 3 286.379 3.047 20 0 CGADHM CCCC[C@@H]1CCC[C@H]1NC(=O)c1cccc2[n-]nnc21 ZINC000542821263 376582911 /nfs/dbraw/zinc/58/29/11/376582911.db2.gz PPDSFHOBRROTEU-DGCLKSJQSA-N -1 3 286.379 3.047 20 0 CGADHM CCCC[C@@H]1CCC[C@H]1NC(=O)c1cccc2n[n-]nc21 ZINC000542821263 376582921 /nfs/dbraw/zinc/58/29/21/376582921.db2.gz PPDSFHOBRROTEU-DGCLKSJQSA-N -1 3 286.379 3.047 20 0 CGADHM CCc1nc(C(=O)[N-]c2c(F)cccc2F)c(C)o1 ZINC000334319741 206363577 /nfs/dbraw/zinc/36/35/77/206363577.db2.gz UTLUGJORTIAIJO-UHFFFAOYSA-N -1 3 266.247 3.076 20 0 CGADHM CC(C)[C@H]1CCCN1C(=O)c1cc([O-])ccc1Cl ZINC000232746727 376587715 /nfs/dbraw/zinc/58/77/15/376587715.db2.gz FBERTOZNEXQNAG-CYBMUJFWSA-N -1 3 267.756 3.306 20 0 CGADHM COc1cccc(C(=O)Nc2ccc(Cl)cc2[O-])c1 ZINC000339007256 376626719 /nfs/dbraw/zinc/62/67/19/376626719.db2.gz MNINSUWRDAFQEI-UHFFFAOYSA-N -1 3 277.707 3.307 20 0 CGADHM O=C(Nc1ccc(Cl)cc1[O-])[C@@H]1Cc2ccccc21 ZINC000339008102 376627155 /nfs/dbraw/zinc/62/71/55/376627155.db2.gz LZVHBLYQPJJHBI-GFCCVEGCSA-N -1 3 273.719 3.324 20 0 CGADHM C[C@@H]1CCN(C(=O)c2cccc([O-])c2)[C@H]2CCCC[C@@H]12 ZINC000543746467 376673767 /nfs/dbraw/zinc/67/37/67/376673767.db2.gz PQRFXJGRFQGJMZ-KCXAZCMYSA-N -1 3 273.376 3.433 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2ccccc2OC(F)F)n1 ZINC000339116137 376690379 /nfs/dbraw/zinc/69/03/79/376690379.db2.gz YUEBMBNMKMEIGS-SREVYHEPSA-N -1 3 278.258 3.262 20 0 CGADHM COc1ccc(NC(=O)CCCc2cccs2)c([O-])c1 ZINC000135405834 542087274 /nfs/dbraw/zinc/08/72/74/542087274.db2.gz BRRSXQNCEQHJHX-UHFFFAOYSA-N -1 3 291.372 3.424 20 0 CGADHM COc1ccc(NC(=O)c2ccc(F)c(F)c2F)c([O-])c1 ZINC000135412860 542087966 /nfs/dbraw/zinc/08/79/66/542087966.db2.gz HTACVUYMBMKVOX-UHFFFAOYSA-N -1 3 297.232 3.070 20 0 CGADHM C[C@@H](Cc1ccc(Cl)cc1)C(=O)Nc1ncccc1[O-] ZINC000339656833 376788216 /nfs/dbraw/zinc/78/82/16/376788216.db2.gz HMMXINFSYDCCGU-JTQLQIEISA-N -1 3 290.750 3.258 20 0 CGADHM COc1cc(C(=O)NCCCCc2ccccc2)ccc1[O-] ZINC000140957850 542095711 /nfs/dbraw/zinc/09/57/11/542095711.db2.gz QFUZCJYNLSDCAL-UHFFFAOYSA-N -1 3 299.370 3.154 20 0 CGADHM CCc1ccc(CN(C)C(=O)c2cccc([O-])c2)cc1 ZINC000339989517 376887333 /nfs/dbraw/zinc/88/73/33/376887333.db2.gz QDSYLFKXYAKDKI-UHFFFAOYSA-N -1 3 269.344 3.227 20 0 CGADHM O=C([O-])C[C@H]1CCCN(Cc2cc3cc(F)ccc3o2)C1 ZINC000556919452 376904279 /nfs/dbraw/zinc/90/42/79/376904279.db2.gz VLPGNNNXBLVWJV-LLVKDONJSA-N -1 3 291.322 3.259 20 0 CGADHM C[C@@H]1CCC[C@H]1CNC(=O)Cc1ccc([O-])cc1Cl ZINC000340084992 376912606 /nfs/dbraw/zinc/91/26/06/376912606.db2.gz IXUUHKZZNUYCIS-PWSUYJOCSA-N -1 3 281.783 3.141 20 0 CGADHM O=C(COCc1ccccc1)Nc1c([O-])cccc1Cl ZINC000557181590 376924175 /nfs/dbraw/zinc/92/41/75/376924175.db2.gz VRAAHRPLPTUZAP-UHFFFAOYSA-N -1 3 291.734 3.201 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])c1cc2cc(F)ccc2[nH]1 ZINC000340313702 376998136 /nfs/dbraw/zinc/99/81/36/376998136.db2.gz LWLUKLCNTJTYHW-UHFFFAOYSA-N -1 3 288.253 3.404 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)CN2[C@H](C)CC[C@@H]2C)c1[O-] ZINC000340325643 377003143 /nfs/dbraw/zinc/00/31/43/377003143.db2.gz XLVDVALETPXKRV-PHIMTYICSA-N -1 3 296.798 3.165 20 0 CGADHM Cc1cc(C(=O)Nc2ccc(Cl)cc2[O-])c(C)n1C ZINC000340329450 377005474 /nfs/dbraw/zinc/00/54/74/377005474.db2.gz GIIKVNCBAAIDIC-UHFFFAOYSA-N -1 3 278.739 3.253 20 0 CGADHM O=C(Cc1cccc2cccnc21)Nc1cc(F)ccc1[O-] ZINC000340331523 377008060 /nfs/dbraw/zinc/00/80/60/377008060.db2.gz WBMZNRPMCUHLCY-UHFFFAOYSA-N -1 3 296.301 3.261 20 0 CGADHM [O-]c1cccnc1CN(C1CC1)[C@H]1CCc2ccccc21 ZINC000561947011 377254861 /nfs/dbraw/zinc/25/48/61/377254861.db2.gz NSTDFAMDUQVKRE-KRWDZBQOSA-N -1 3 280.371 3.439 20 0 CGADHM Cc1ccc([O-])c(NC(=O)[C@@]2(C)C[C@@H]2c2ccccc2)n1 ZINC000562708365 377351140 /nfs/dbraw/zinc/35/11/40/377351140.db2.gz YGJHFBQYBZALLX-DYVFJYSZSA-N -1 3 282.343 3.228 20 0 CGADHM C[C@H](CN(C)Cc1occc1C(=O)[O-])c1ccccc1 ZINC000563278257 377433176 /nfs/dbraw/zinc/43/31/76/377433176.db2.gz UQEZBWCIBYYQIZ-GFCCVEGCSA-N -1 3 273.332 3.213 20 0 CGADHM O=c1cc(-c2noc(-c3cccc(C4CCC4)c3)n2)nc[n-]1 ZINC000563122162 377404842 /nfs/dbraw/zinc/40/48/42/377404842.db2.gz KMYDBWJNFCFWKF-UHFFFAOYSA-N -1 3 294.314 3.167 20 0 CGADHM CCc1cccc(F)c1CN1CCC[C@@H](CC(=O)[O-])C1 ZINC000563397210 377458042 /nfs/dbraw/zinc/45/80/42/377458042.db2.gz WCGGPMBENQHSCB-LBPRGKRZSA-N -1 3 279.355 3.075 20 0 CGADHM COc1ccc(F)cc1NC(=O)c1ccc(C)cc1[O-] ZINC000092872653 249035988 /nfs/dbraw/zinc/03/59/88/249035988.db2.gz MZGCNMPZVIBSGE-UHFFFAOYSA-N -1 3 275.279 3.101 20 0 CGADHM COc1ccc([O-])c(C(=O)NCC[C@@H](C)c2ccccc2)c1 ZINC000315454533 249099307 /nfs/dbraw/zinc/09/93/07/249099307.db2.gz WXNGWJBUYLDXKT-CYBMUJFWSA-N -1 3 299.370 3.324 20 0 CGADHM CC1([N-]S(=O)(=O)c2c(Cl)cccc2Cl)CCC1 ZINC000167407575 542177306 /nfs/dbraw/zinc/17/73/06/542177306.db2.gz YPOQGYKODFHLAJ-UHFFFAOYSA-N -1 3 294.203 3.214 20 0 CGADHM CCC[C@H](CC)S(=O)(=O)[N-]c1ccc(F)c(F)c1F ZINC000514908063 249193533 /nfs/dbraw/zinc/19/35/33/249193533.db2.gz FUIBHRMZKCSEQZ-QMMMGPOBSA-N -1 3 295.326 3.424 20 0 CGADHM CCc1ccc([C@H](N=c2ncnc3[nH][n-]cc2-3)C(C)C)cc1 ZINC000514922636 249194382 /nfs/dbraw/zinc/19/43/82/249194382.db2.gz ZIKVAPORPIHGMJ-OAHLLOKOSA-N -1 3 295.390 3.098 20 0 CGADHM CCc1oc(C(=O)[O-])cc1CN(C)[C@@H](CC)CSC ZINC000515065265 249200972 /nfs/dbraw/zinc/20/09/72/249200972.db2.gz BAHGWOZMVVUOPJ-NSHDSACASA-N -1 3 285.409 3.114 20 0 CGADHM CC[C@@H](C)[C@@H]1CCCCN1C(=O)c1ccc(O)cc1[O-] ZINC000265614620 190193644 /nfs/dbraw/zinc/19/36/44/190193644.db2.gz LXEHEJIMNYMNAX-RISCZKNCSA-N -1 3 277.364 3.139 20 0 CGADHM CCC[C@H](CC)S(=O)(=O)[N-]c1cc(F)c(F)cc1F ZINC000574141479 377626135 /nfs/dbraw/zinc/62/61/35/377626135.db2.gz AWTJSJGSGNUCGU-QMMMGPOBSA-N -1 3 295.326 3.424 20 0 CGADHM Cc1ccc([C@@H]2CCCN2Cc2ccc(C(=O)[O-])cn2)cc1 ZINC000574578843 377683283 /nfs/dbraw/zinc/68/32/83/377683283.db2.gz SKFGETQPSKCWHH-KRWDZBQOSA-N -1 3 296.370 3.425 20 0 CGADHM O=C([O-])[C@H]1CC[C@H](CNCc2ccc(Cl)cc2F)CC1 ZINC000253367843 377686556 /nfs/dbraw/zinc/68/65/56/377686556.db2.gz WFWKBOOAPJPCPQ-XYPYZODXSA-N -1 3 299.773 3.460 20 0 CGADHM Cc1cc(C)cc(-c2nc(-c3ccc4n[n-]nc4c3)no2)c1 ZINC000574952073 377729962 /nfs/dbraw/zinc/72/99/62/377729962.db2.gz PIZKWPHSIUQVSZ-UHFFFAOYSA-N -1 3 291.314 3.292 20 0 CGADHM CC(=O)c1cccc(NC(=O)[C@H]2CCCC[C@H]2C)c1[O-] ZINC000575048537 377743265 /nfs/dbraw/zinc/74/32/65/377743265.db2.gz XPYPLIKXJQXOEL-PWSUYJOCSA-N -1 3 275.348 3.360 20 0 CGADHM Cc1cccc(/C=C\C(=O)Nc2cccc([O-])c2F)c1 ZINC000255296266 377747194 /nfs/dbraw/zinc/74/71/94/377747194.db2.gz ZRCZPQGGHWGGIQ-HJWRWDBZSA-N -1 3 271.291 3.492 20 0 CGADHM Cc1ccc(CN(C[C@H](C)C(=O)[O-])C2CC2)c(Cl)c1 ZINC000575131015 377752277 /nfs/dbraw/zinc/75/22/77/377752277.db2.gz QHZYSWFFFFPXDQ-NSHDSACASA-N -1 3 281.783 3.334 20 0 CGADHM C[C@H](c1ccco1)N(CCCCC(=O)[O-])C1CC1 ZINC000575322536 377879223 /nfs/dbraw/zinc/87/92/23/377879223.db2.gz KOLHUJDRNPTQOZ-LLVKDONJSA-N -1 3 251.326 3.060 20 0 CGADHM COCCN(Cc1ccccc1)Cc1ccc(C(=O)[O-])cc1 ZINC000263308082 377926722 /nfs/dbraw/zinc/92/67/22/377926722.db2.gz FTLFOHYOQZFOAS-UHFFFAOYSA-N -1 3 299.370 3.033 20 0 CGADHM CCc1cnccc1[C@@H](C)NCc1ccc(C(=O)[O-])cc1 ZINC000263401005 377931926 /nfs/dbraw/zinc/93/19/26/377931926.db2.gz ICCRAUZHTXBPIN-GFCCVEGCSA-N -1 3 284.359 3.193 20 0 CGADHM Cc1cc(Cl)cc(CN2C[C@@H](C(=O)[O-])CC[C@H]2C)c1 ZINC000263507010 377943023 /nfs/dbraw/zinc/94/30/23/377943023.db2.gz MIEXFDHCLJKAGR-YPMHNXCESA-N -1 3 281.783 3.334 20 0 CGADHM CC(C)(NCc1ncccc1[O-])c1ccc(Cl)cc1 ZINC000576028592 378007888 /nfs/dbraw/zinc/00/78/88/378007888.db2.gz MBNQESASZZCFJC-UHFFFAOYSA-N -1 3 276.767 3.466 20 0 CGADHM C[C@@H]1CCC[C@H](C)N1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000264634948 377990269 /nfs/dbraw/zinc/99/02/69/377990269.db2.gz CEUBOTYEOOQCGC-TXEJJXNPSA-N -1 3 284.359 3.344 20 0 CGADHM Cc1occc1CN(C)CC[C@@H](C(=O)[O-])c1ccccc1 ZINC000578368512 378061343 /nfs/dbraw/zinc/06/13/43/378061343.db2.gz UHUXCSHOOXKGSS-MRXNPFEDSA-N -1 3 287.359 3.278 20 0 CGADHM O=C(CCc1cncs1)Nc1ccc(Cl)cc1[O-] ZINC000343884614 378123527 /nfs/dbraw/zinc/12/35/27/378123527.db2.gz DXQKWMWZRVDSEL-UHFFFAOYSA-N -1 3 282.752 3.073 20 0 CGADHM CCCN(Cc1ccc(C(=O)[O-])s1)C[C@@H]1CCCCO1 ZINC000579842255 378202118 /nfs/dbraw/zinc/20/21/18/378202118.db2.gz CKDQHKBEKDKXAO-LBPRGKRZSA-N -1 3 297.420 3.227 20 0 CGADHM CCC[C@@]1(C)CCCN(Cc2occc2C(=O)[O-])C1 ZINC000579967694 378212914 /nfs/dbraw/zinc/21/29/14/378212914.db2.gz UTAIAAAZNUZPIN-HNNXBMFYSA-N -1 3 265.353 3.380 20 0 CGADHM CC(C)C[C@@H](C)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000269822891 378270071 /nfs/dbraw/zinc/27/00/71/378270071.db2.gz UAZRUQDPMBLJKX-LLVKDONJSA-N -1 3 272.348 3.105 20 0 CGADHM C[C@@H](CC1CC1)NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000345457929 378288409 /nfs/dbraw/zinc/28/84/09/378288409.db2.gz ZZPAPKZGKDGVDI-NSHDSACASA-N -1 3 279.355 3.159 20 0 CGADHM COc1cccc2c(C(=O)Nc3cccc(F)c3C)[n-]nc21 ZINC000345239461 378230734 /nfs/dbraw/zinc/23/07/34/378230734.db2.gz CMJDUZMXLMCLOU-UHFFFAOYSA-N -1 3 299.305 3.271 20 0 CGADHM COc1cccc2c(C(=O)Nc3cccc(F)c3C)n[n-]c21 ZINC000345239461 378230738 /nfs/dbraw/zinc/23/07/38/378230738.db2.gz CMJDUZMXLMCLOU-UHFFFAOYSA-N -1 3 299.305 3.271 20 0 CGADHM COc1cc(Cl)ccc1CN1CCC[C@@](C)(C(=O)[O-])C1 ZINC000580201704 378231533 /nfs/dbraw/zinc/23/15/33/378231533.db2.gz ACAPFFSCFRNZQA-OAHLLOKOSA-N -1 3 297.782 3.035 20 0 CGADHM CCc1[n-][nH]c(=NC(=O)c2cccc3ccsc32)c1C ZINC000345285035 378243636 /nfs/dbraw/zinc/24/36/36/378243636.db2.gz CGNYYQXXOJVUJE-UHFFFAOYSA-N -1 3 285.372 3.169 20 0 CGADHM CC(C(=O)Nc1cc(Cl)c([O-])cc1F)C(F)(F)F ZINC000345668402 378339977 /nfs/dbraw/zinc/33/99/77/378339977.db2.gz ZCJALMHJTLQMHB-SCSAIBSYSA-N -1 3 285.624 3.322 20 0 CGADHM Cc1ccc([O-])c(NC(=O)C2(c3ccccc3)CCC2)n1 ZINC000345938250 378414760 /nfs/dbraw/zinc/41/47/60/378414760.db2.gz LZBIFLIMWCEHDV-UHFFFAOYSA-N -1 3 282.343 3.156 20 0 CGADHM CC(C)Cc1ncc(CN2CCC[C@@H](CC(=O)[O-])C2)s1 ZINC000584100561 378374773 /nfs/dbraw/zinc/37/47/73/378374773.db2.gz GCILLWSQNNYBND-LBPRGKRZSA-N -1 3 296.436 3.028 20 0 CGADHM Cc1cc([C@@H](C)N2CC(C)(C)C[C@@H]2C)oc1C(=O)[O-] ZINC000565601568 322083627 /nfs/dbraw/zinc/08/36/27/322083627.db2.gz YTEWRKWSDHOYBH-WDEREUQCSA-N -1 3 265.353 3.468 20 0 CGADHM [O-]C(=NOC1CCCC1)Nc1nc2c(s1)CCCC2 ZINC000271680315 378500262 /nfs/dbraw/zinc/50/02/62/378500262.db2.gz JTNSTPPAUQISTI-UHFFFAOYSA-N -1 3 281.381 3.018 20 0 CGADHM O=C([N-]OC1CCCC1)Nc1nc2c(s1)CCCC2 ZINC000271680315 378500267 /nfs/dbraw/zinc/50/02/67/378500267.db2.gz JTNSTPPAUQISTI-UHFFFAOYSA-N -1 3 281.381 3.018 20 0 CGADHM Cc1noc([N-]C(=O)COc2ccc(C(C)C)cc2)c1C ZINC000266115506 190232151 /nfs/dbraw/zinc/23/21/51/190232151.db2.gz BHDAOIABJLARLW-UHFFFAOYSA-N -1 3 288.347 3.432 20 0 CGADHM Cc1cc(C(=O)N2CCCN(C)c3ccccc32)ccc1[O-] ZINC000272359471 378621042 /nfs/dbraw/zinc/62/10/42/378621042.db2.gz BIJFEECTBJTFSK-UHFFFAOYSA-N -1 3 296.370 3.187 20 0 CGADHM CCC1(C(=O)Nc2ccc(Cl)cc2[O-])CCOCC1 ZINC000272373540 378623511 /nfs/dbraw/zinc/62/35/11/378623511.db2.gz UXTFPFGYPLUIMB-UHFFFAOYSA-N -1 3 283.755 3.191 20 0 CGADHM COc1cccc(C2(NC(=O)c3ccc([O-])c(C)c3)CC2)c1 ZINC000272573329 378668658 /nfs/dbraw/zinc/66/86/58/378668658.db2.gz DGIYVHQQQIWPGN-UHFFFAOYSA-N -1 3 297.354 3.128 20 0 CGADHM COc1cc(C(=O)N[C@@H]2C[C@@H]2C2CCCCC2)ccc1[O-] ZINC000272636500 378681124 /nfs/dbraw/zinc/68/11/24/378681124.db2.gz WOMPMZQUVSYOGV-ZIAGYGMSSA-N -1 3 289.375 3.099 20 0 CGADHM Cc1cc(C(=O)N2CC[C@H](c3ccc(F)cc3)C2)ccc1[O-] ZINC000272631703 378681164 /nfs/dbraw/zinc/68/11/64/378681164.db2.gz KKPYNNBUFRKHFF-HNNXBMFYSA-N -1 3 299.345 3.469 20 0 CGADHM CC[C@H]1C[C@@H](Cc2nc(-c3ccc([O-])cc3)no2)CCO1 ZINC000272757304 378699719 /nfs/dbraw/zinc/69/97/19/378699719.db2.gz OXJQUOCBYCTRQV-FZMZJTMJSA-N -1 3 288.347 3.190 20 0 CGADHM [O-]c1cccnc1CNCc1ccc(-c2ccccc2F)o1 ZINC000347918438 378729409 /nfs/dbraw/zinc/72/94/09/378729409.db2.gz VHWXAZDFYANSFB-UHFFFAOYSA-N -1 3 298.317 3.476 20 0 CGADHM Cc1cc(C(=O)Nc2cc(C3CCCC3)nn2C)ccc1[O-] ZINC000272949951 378729429 /nfs/dbraw/zinc/72/94/29/378729429.db2.gz YHJDULMYYIMWGC-UHFFFAOYSA-N -1 3 299.374 3.344 20 0 CGADHM CCCSCC(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000274426329 378831270 /nfs/dbraw/zinc/83/12/70/378831270.db2.gz ZOTIPKTXSATENY-LLVKDONJSA-N -1 3 279.405 3.376 20 0 CGADHM Cc1ncc(CN[C@H](C)c2ccc(F)cc2Cl)c(=O)[n-]1 ZINC000346808815 218020992 /nfs/dbraw/zinc/02/09/92/218020992.db2.gz NYQNZAYYBIVIID-MRVPVSSYSA-N -1 3 295.745 3.134 20 0 CGADHM CC(C)(C)c1ccc(NC(=O)NCc2ncccc2[O-])cc1 ZINC000348472173 378962885 /nfs/dbraw/zinc/96/28/85/378962885.db2.gz FBZGPDRQCWAVND-UHFFFAOYSA-N -1 3 299.374 3.406 20 0 CGADHM CCC1(CC)CCN(C(=O)c2ccc([O-])c(OC)c2)C1 ZINC000276885551 379014131 /nfs/dbraw/zinc/01/41/31/379014131.db2.gz GRXCACPXSQNMEL-UHFFFAOYSA-N -1 3 277.364 3.053 20 0 CGADHM COc1cccc([C@H](CC(=O)[O-])NCc2cccs2)c1 ZINC000277217403 379102077 /nfs/dbraw/zinc/10/20/77/379102077.db2.gz HPBVYYJUTRQOTB-AWEZNQCLSA-N -1 3 291.372 3.062 20 0 CGADHM CC[C@@H](C)N(Cc1ccccc1)C(=O)c1csc(=O)[n-]1 ZINC000348907321 379109060 /nfs/dbraw/zinc/10/90/60/379109060.db2.gz CVGVFRJRWUISIM-LLVKDONJSA-N -1 3 290.388 3.290 20 0 CGADHM CCC(CC)(CCO)CN=c1[n-]c(C(F)(F)F)cs1 ZINC000347462206 218242680 /nfs/dbraw/zinc/24/26/80/218242680.db2.gz KSMYVFGDCAWOBC-UHFFFAOYSA-N -1 3 296.358 3.185 20 0 CGADHM Cc1ccccc1[C@@H](C)[N-]c1nnc(C(F)F)o1 ZINC000278771593 194148709 /nfs/dbraw/zinc/14/87/09/194148709.db2.gz UTTLLASXGSVWHQ-MRVPVSSYSA-N -1 3 253.252 3.489 20 0 CGADHM Cc1ccc([C@H](NCc2cnc(C)[n-]c2=O)C2CCC2)o1 ZINC000349660913 379336111 /nfs/dbraw/zinc/33/61/11/379336111.db2.gz CZVKCBMODKSSED-OAHLLOKOSA-N -1 3 287.363 3.023 20 0 CGADHM CC(C)c1csc(NC(=O)c2cc(C(F)F)[n-]n2)n1 ZINC000639470738 379419820 /nfs/dbraw/zinc/41/98/20/379419820.db2.gz BWGOYTJXUODTTC-UHFFFAOYSA-N -1 3 286.307 3.180 20 0 CGADHM CCCOc1cccc(NC(=O)c2cc(C(F)F)[n-]n2)c1 ZINC000639523191 379451967 /nfs/dbraw/zinc/45/19/67/379451967.db2.gz XJGMDIBGEMVWRR-UHFFFAOYSA-N -1 3 295.289 3.388 20 0 CGADHM Cc1ccc([O-])c(-c2nc(Cc3ccc(C)nc3)no2)c1 ZINC000350566646 379561679 /nfs/dbraw/zinc/56/16/79/379561679.db2.gz FGKMDYOXUUUTRQ-UHFFFAOYSA-N -1 3 281.315 3.045 20 0 CGADHM COc1cc(C)cc(-c2nc(-c3cncc(C)c3)no2)c1[O-] ZINC000350565285 379562069 /nfs/dbraw/zinc/56/20/69/379562069.db2.gz CRJILZZONNKKTB-UHFFFAOYSA-N -1 3 297.314 3.130 20 0 CGADHM [O-]c1ccc(-c2noc(-c3cnccn3)n2)c2ccccc12 ZINC000350569710 379562958 /nfs/dbraw/zinc/56/29/58/379562958.db2.gz AIZGYOITMVZJHE-UHFFFAOYSA-N -1 3 290.282 3.052 20 0 CGADHM CCC[C@@H](OC)c1noc(-c2cc(-c3ccco3)n[n-]2)n1 ZINC000351128292 379654609 /nfs/dbraw/zinc/65/46/09/379654609.db2.gz DBHWFVJBHZFIQI-GFCCVEGCSA-N -1 3 288.307 3.207 20 0 CGADHM CCC[C@@H](OC)c1noc(-c2cc(-c3ccco3)[n-]n2)n1 ZINC000351128292 379654618 /nfs/dbraw/zinc/65/46/18/379654618.db2.gz DBHWFVJBHZFIQI-GFCCVEGCSA-N -1 3 288.307 3.207 20 0 CGADHM Cc1ccc(-c2nnc(NC(=O)C3CCC=CCC3)[n-]2)o1 ZINC000639965530 379667133 /nfs/dbraw/zinc/66/71/33/379667133.db2.gz UTNORBIASZLNDC-UHFFFAOYSA-N -1 3 286.335 3.058 20 0 CGADHM Cc1ccc(-c2n[n-]c(NC(=O)C3CCC=CCC3)n2)o1 ZINC000639965530 379667138 /nfs/dbraw/zinc/66/71/38/379667138.db2.gz UTNORBIASZLNDC-UHFFFAOYSA-N -1 3 286.335 3.058 20 0 CGADHM Cc1ccc(-c2nc(NC(=O)C3CCC=CCC3)n[n-]2)o1 ZINC000639965530 379667142 /nfs/dbraw/zinc/66/71/42/379667142.db2.gz UTNORBIASZLNDC-UHFFFAOYSA-N -1 3 286.335 3.058 20 0 CGADHM C[C@@H]1CCN(Cc2c(F)ccc([O-])c2F)C[C@@H]1C ZINC000351618901 379731087 /nfs/dbraw/zinc/73/10/87/379731087.db2.gz CCLUESWEVSACQL-ZJUUUORDSA-N -1 3 255.308 3.148 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2c(Cl)cncc2Cl)n1 ZINC000351776012 379744169 /nfs/dbraw/zinc/74/41/69/379744169.db2.gz XEKMMJZTXOHHBL-UHFFFAOYSA-N -1 3 298.129 3.050 20 0 CGADHM O=C([N-]OC[C@H]1CCOC1)Nc1ccc(C2CCC2)cc1 ZINC000279014629 194250308 /nfs/dbraw/zinc/25/03/08/194250308.db2.gz VHZQDSVYADWJQV-LBPRGKRZSA-N -1 3 290.363 3.044 20 0 CGADHM Cc1nocc1[N-]C(=O)c1sc(CC(C)C)nc1C ZINC000640485547 379809844 /nfs/dbraw/zinc/80/98/44/379809844.db2.gz JBZXZXCGMOGFOP-UHFFFAOYSA-N -1 3 279.365 3.199 20 0 CGADHM O=C(c1cc([O-])ccc1Cl)N1CCC[C@@H]1C1CCC1 ZINC000377908694 379756610 /nfs/dbraw/zinc/75/66/10/379756610.db2.gz UFKITURJCJESSH-CQSZACIVSA-N -1 3 279.767 3.450 20 0 CGADHM CC(C)[C@@H]1OCCC[C@@H]1CNCc1c(F)ccc([O-])c1F ZINC000352643606 379888572 /nfs/dbraw/zinc/88/85/72/379888572.db2.gz NAAXWCGSJJICKH-BZNIZROVSA-N -1 3 299.361 3.211 20 0 CGADHM CC(C)[C@@H]1OCCC[C@H]1CNCc1c(F)ccc([O-])c1F ZINC000352643608 379888643 /nfs/dbraw/zinc/88/86/43/379888643.db2.gz NAAXWCGSJJICKH-ZBEGNZNMSA-N -1 3 299.361 3.211 20 0 CGADHM Cc1cccc([O-])c1NC(=O)[C@@H](C)Oc1ccc(F)cc1 ZINC000352647780 379890271 /nfs/dbraw/zinc/89/02/71/379890271.db2.gz QNMJKESOFSXBEW-LLVKDONJSA-N -1 3 289.306 3.246 20 0 CGADHM C[C@@]1(CNCc2c(F)ccc([O-])c2F)CCCS1 ZINC000352669191 379902749 /nfs/dbraw/zinc/90/27/49/379902749.db2.gz XXAYHHOXVGJFCU-ZDUSSCGKSA-N -1 3 273.348 3.046 20 0 CGADHM C[C@H]1CCC[C@@H]1CC(=O)Nc1ccc([O-])cc1F ZINC000347864244 218381649 /nfs/dbraw/zinc/38/16/49/218381649.db2.gz FXABGYHBKFPJNF-VHSXEESVSA-N -1 3 251.301 3.296 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-]C2C[C@@H](C)C[C@H](C)C2)c(F)c1 ZINC000404877223 379984806 /nfs/dbraw/zinc/98/48/06/379984806.db2.gz KTFAVPDEXLIHPD-RYUDHWBXSA-N -1 3 299.411 3.237 20 0 CGADHM CC(C)O[C@H]1C[C@@H](NCc2c(F)ccc([O-])c2F)C1(C)C ZINC000352923152 380039865 /nfs/dbraw/zinc/03/98/65/380039865.db2.gz GRWNMRBTRDGLBM-KGLIPLIRSA-N -1 3 299.361 3.352 20 0 CGADHM COc1ccc([O-])c(C(=O)NCc2c(C)cc(C)cc2C)c1 ZINC000642044985 380132532 /nfs/dbraw/zinc/13/25/32/380132532.db2.gz ISRSFMFROUSTQR-UHFFFAOYSA-N -1 3 299.370 3.256 20 0 CGADHM O=C(Nc1ccc(Br)cc1[O-])c1ccsc1 ZINC000642323682 380163662 /nfs/dbraw/zinc/16/36/62/380163662.db2.gz JZCBQELBRVTENX-UHFFFAOYSA-N -1 3 298.161 3.469 20 0 CGADHM [O-]c1ccc(F)c(CN[C@@H]2CC23CCCC3)c1F ZINC000353207441 380166776 /nfs/dbraw/zinc/16/67/76/380166776.db2.gz VBXQJNAVNLALOA-GFCCVEGCSA-N -1 3 253.292 3.093 20 0 CGADHM Cc1cc(OCc2cccc(F)c2)cc2occ([O-])c21 ZINC000642609636 380179596 /nfs/dbraw/zinc/17/95/96/380179596.db2.gz XSULGEUDCPBXTC-UHFFFAOYSA-N -1 3 272.275 3.288 20 0 CGADHM C[C@H]1C[C@@H]1c1ccc(CNCCCCCC(=O)[O-])o1 ZINC000414685063 380373299 /nfs/dbraw/zinc/37/32/99/380373299.db2.gz RWNNDKCKXVRZTM-AAEUAGOBSA-N -1 3 265.353 3.138 20 0 CGADHM CC(=Cc1nc(-c2ccc3n[n-]nc3c2)no1)C(C)(C)C ZINC000643895162 380391771 /nfs/dbraw/zinc/39/17/71/380391771.db2.gz ZJZHYPSQRBBRNC-CLFYSBASSA-N -1 3 283.335 3.457 20 0 CGADHM CCC(C)(CC)c1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000643894708 380392386 /nfs/dbraw/zinc/39/23/86/380392386.db2.gz PGSFBAHCGIKNSU-UHFFFAOYSA-N -1 3 271.324 3.086 20 0 CGADHM CCc1ccc([O-])c(C(=O)N(C)[C@@H](C)CCSC)c1 ZINC000354328216 380401476 /nfs/dbraw/zinc/40/14/76/380401476.db2.gz MELSUWXSKPNYPN-NSHDSACASA-N -1 3 281.421 3.168 20 0 CGADHM O=C([O-])C[C@@H](CNCc1ccc(Cl)o1)c1ccccc1 ZINC000417551123 380635955 /nfs/dbraw/zinc/63/59/55/380635955.db2.gz YJWHVAKCRLRMSV-LBPRGKRZSA-N -1 3 293.750 3.281 20 0 CGADHM CCC[C@H](C)C[C@@H](NCc1cc(OC)ccc1F)C(=O)[O-] ZINC000417563729 380639963 /nfs/dbraw/zinc/63/99/63/380639963.db2.gz NUTZZIQTFJAGGF-XHDPSFHLSA-N -1 3 297.370 3.203 20 0 CGADHM CCCc1csc(CN[C@@H](CC(=O)[O-])CC(C)(C)C)n1 ZINC000417590555 380645672 /nfs/dbraw/zinc/64/56/72/380645672.db2.gz RJUXYMXNCIBZTD-LBPRGKRZSA-N -1 3 298.452 3.465 20 0 CGADHM Cc1ncccc1CN[C@@H](CCC(=O)[O-])c1ccccc1 ZINC000417604953 380646569 /nfs/dbraw/zinc/64/65/69/380646569.db2.gz WLCFDQVGLQODQU-INIZCTEOSA-N -1 3 284.359 3.086 20 0 CGADHM CCc1nc(CN[C@@H](CC(=O)[O-])CC(C)(C)C)cs1 ZINC000417595987 380646831 /nfs/dbraw/zinc/64/68/31/380646831.db2.gz ZDMFUZRURFTFOD-JTQLQIEISA-N -1 3 284.425 3.075 20 0 CGADHM O=C([O-])[C@@H](CC1CCC1)NCc1ccc(Cl)cc1F ZINC000417704229 380668279 /nfs/dbraw/zinc/66/82/79/380668279.db2.gz MKURBFZWZZXAMM-CYBMUJFWSA-N -1 3 285.746 3.212 20 0 CGADHM FC(F)(F)c1csc(=N[C@@H]2CC[C@H]3C[C@H]3C2)[n-]1 ZINC000645396040 380669130 /nfs/dbraw/zinc/66/91/30/380669130.db2.gz KJKRUMQUSWZAPX-BIIVOSGPSA-N -1 3 262.300 3.184 20 0 CGADHM Cc1ccccc1CN[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000417612120 380650389 /nfs/dbraw/zinc/65/03/89/380650389.db2.gz BKIOXSCJAMHZCD-SJORKVTESA-N -1 3 281.355 3.398 20 0 CGADHM Cc1cc(F)c(CNCC2(C(=O)[O-])CCC2)c(Cl)c1 ZINC000417615179 380651398 /nfs/dbraw/zinc/65/13/98/380651398.db2.gz FUKCQTPHFPIRLA-UHFFFAOYSA-N -1 3 285.746 3.132 20 0 CGADHM O=C(Nc1ccc(Cl)cc1[O-])[C@@H]1CCCSC1 ZINC000355349393 380651640 /nfs/dbraw/zinc/65/16/40/380651640.db2.gz ABPVIGVEYKJDHP-MRVPVSSYSA-N -1 3 271.769 3.127 20 0 CGADHM Cc1sccc1CN[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000417619693 380655422 /nfs/dbraw/zinc/65/54/22/380655422.db2.gz FKZBLGMMRMBRQM-HUUCEWRRSA-N -1 3 287.384 3.459 20 0 CGADHM O=C([O-])C[C@@H](CNCc1cccc(Cl)c1)C(F)(F)F ZINC000417626351 380656281 /nfs/dbraw/zinc/65/62/81/380656281.db2.gz MWMMBAVFKBJURZ-VIFPVBQESA-N -1 3 295.688 3.083 20 0 CGADHM Cc1ccc(CN[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc1 ZINC000417624180 380656423 /nfs/dbraw/zinc/65/64/23/380656423.db2.gz QFTZEMCWISGEJN-IAGOWNOFSA-N -1 3 281.355 3.398 20 0 CGADHM Cc1ccc(CCC(=O)Nc2nc(C)ccc2[O-])s1 ZINC000355575298 380715352 /nfs/dbraw/zinc/71/53/52/380715352.db2.gz NGJQGYATXQLZOX-UHFFFAOYSA-N -1 3 276.361 3.037 20 0 CGADHM C[C@@H]1C[C@@H](C)[C@H](C)N(Cc2nc(=O)c3sccc3[n-]2)C1 ZINC000355789052 380778650 /nfs/dbraw/zinc/77/86/50/380778650.db2.gz URLFCDADWMRGOU-MXWKQRLJSA-N -1 3 291.420 3.263 20 0 CGADHM C[C@H](CC(C)(C)C)C(=O)NCc1ccc([O-])c(F)c1 ZINC000357156295 381046402 /nfs/dbraw/zinc/04/64/02/381046402.db2.gz YSIISYXLTNOZLC-SNVBAGLBSA-N -1 3 267.344 3.220 20 0 CGADHM CN(CCCc1ccccc1)C(=O)c1cccc([O-])c1 ZINC000357258355 381084718 /nfs/dbraw/zinc/08/47/18/381084718.db2.gz NSNLXHVHBNAGES-UHFFFAOYSA-N -1 3 269.344 3.097 20 0 CGADHM C[C@H]1[C@H](Cc2ccccc2)CCN1C(=O)c1cccc([O-])c1 ZINC000357311026 381101213 /nfs/dbraw/zinc/10/12/13/381101213.db2.gz UYASRBYRFUPLLF-HOCLYGCPSA-N -1 3 295.382 3.486 20 0 CGADHM CC1CCC(C)(CNC(=O)c2cccc([O-])c2)CC1 ZINC000357388879 381139649 /nfs/dbraw/zinc/13/96/49/381139649.db2.gz YJWPTZODAILQHP-UHFFFAOYSA-N -1 3 261.365 3.338 20 0 CGADHM O=C(c1ccccc1[O-])N1CC[C@@H](c2ccccc2F)C1 ZINC000334816296 207125527 /nfs/dbraw/zinc/12/55/27/207125527.db2.gz QOIRPHQQDHBUCC-GFCCVEGCSA-N -1 3 285.318 3.161 20 0 CGADHM O=C([N-]c1ccccc1F)c1cc(-c2ccccn2)no1 ZINC000360176948 381467408 /nfs/dbraw/zinc/46/74/08/381467408.db2.gz ZHAOUKUEGPGUKF-UHFFFAOYSA-N -1 3 283.262 3.128 20 0 CGADHM CC1CCC(CC(=O)N=c2cc(-c3ccncc3)[n-][nH]2)CC1 ZINC000360407745 381536959 /nfs/dbraw/zinc/53/69/59/381536959.db2.gz OZKYDWIOKGDSSV-UHFFFAOYSA-N -1 3 298.390 3.049 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCCC23CCCC3)o1 ZINC000360419623 381538621 /nfs/dbraw/zinc/53/86/21/381538621.db2.gz JQFRAKPLPNVDGN-CYBMUJFWSA-N -1 3 297.420 3.369 20 0 CGADHM Cc1ccc([O-])c(CN2C[C@@H](C)Oc3c(F)cccc32)n1 ZINC000361144714 381658276 /nfs/dbraw/zinc/65/82/76/381658276.db2.gz ZTMOAMODLWSSBC-LLVKDONJSA-N -1 3 288.322 3.022 20 0 CGADHM CCCN(Cc1cc([O-])cc(F)c1)[C@@H](CC)C(=O)OCC ZINC000361647860 381857940 /nfs/dbraw/zinc/85/79/40/381857940.db2.gz MBKKZUGHBPZFLN-HNNXBMFYSA-N -1 3 297.370 3.085 20 0 CGADHM CCCCC(=O)Nc1nnc(-c2cc3ccccc3o2)[n-]1 ZINC000362244522 381917213 /nfs/dbraw/zinc/91/72/13/381917213.db2.gz MCRPPVKQLKRDIQ-UHFFFAOYSA-N -1 3 284.319 3.347 20 0 CGADHM CCCCC(=O)Nc1nc(-c2cc3ccccc3o2)n[n-]1 ZINC000362244522 381917221 /nfs/dbraw/zinc/91/72/21/381917221.db2.gz MCRPPVKQLKRDIQ-UHFFFAOYSA-N -1 3 284.319 3.347 20 0 CGADHM CCCCC(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000362244522 381917225 /nfs/dbraw/zinc/91/72/25/381917225.db2.gz MCRPPVKQLKRDIQ-UHFFFAOYSA-N -1 3 284.319 3.347 20 0 CGADHM Cc1cc(C(=O)N(CCC(C)C)C2CC2)ccc1[O-] ZINC000227016665 542291804 /nfs/dbraw/zinc/29/18/04/542291804.db2.gz FVBRQJWFVZZHAT-UHFFFAOYSA-N -1 3 261.365 3.351 20 0 CGADHM Cc1ccc(-c2ccc(CN[C@H](C)CC(=O)[O-])o2)cc1 ZINC000362346511 381949165 /nfs/dbraw/zinc/94/91/65/381949165.db2.gz MPUJWBZKRUSOHI-GFCCVEGCSA-N -1 3 273.332 3.208 20 0 CGADHM C[C@@H](CC(=O)[O-])NCc1ccc(-c2cccc(F)c2F)o1 ZINC000362347056 381951935 /nfs/dbraw/zinc/95/19/35/381951935.db2.gz QHIHMPVOBQMIOB-VIFPVBQESA-N -1 3 295.285 3.178 20 0 CGADHM CCc1cc(C(=O)N(C)Cc2ccc(F)cc2)ccc1[O-] ZINC000362460514 382001297 /nfs/dbraw/zinc/00/12/97/382001297.db2.gz LTXVFHNPLDBXNU-UHFFFAOYSA-N -1 3 287.334 3.366 20 0 CGADHM CCc1cc(C(=O)Nc2ccc3[nH]cnc3c2)ccc1[O-] ZINC000362736354 382109953 /nfs/dbraw/zinc/10/99/53/382109953.db2.gz UBGIMAVSFICLSO-UHFFFAOYSA-N -1 3 281.315 3.083 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)C[C@@H](O)CC(C)(C)C)c1[O-] ZINC000362960772 382166008 /nfs/dbraw/zinc/16/60/08/382166008.db2.gz RVBAWPKVCLXYLF-LLVKDONJSA-N -1 3 299.798 3.480 20 0 CGADHM CN(CCC1CC1)C(=O)c1cc([O-])ccc1C(F)(F)F ZINC000280111422 194707506 /nfs/dbraw/zinc/70/75/06/194707506.db2.gz AVBKFJDJDUWNOZ-UHFFFAOYSA-N -1 3 287.281 3.283 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)C2=C(C)OCCS2)c1[O-] ZINC000280840416 194996735 /nfs/dbraw/zinc/99/67/35/194996735.db2.gz UXTXMRKDLIYYCJ-UHFFFAOYSA-N -1 3 299.779 3.287 20 0 CGADHM CC(C)(C)c1nnc(NCc2c(F)ccc([O-])c2F)s1 ZINC000281031648 195075921 /nfs/dbraw/zinc/07/59/21/195075921.db2.gz PHBVGCDZVWQXCD-UHFFFAOYSA-N -1 3 299.346 3.432 20 0 CGADHM C[C@H]1CCN(C(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000279553832 542378723 /nfs/dbraw/zinc/37/87/23/542378723.db2.gz OHEJJASRPHVTRN-NSHDSACASA-N -1 3 255.317 3.027 20 0 CGADHM C[C@@H]1CN(C(=O)c2cc([O-])c3ccccc3c2)CC(C)(C)O1 ZINC000279641077 542379581 /nfs/dbraw/zinc/37/95/81/542379581.db2.gz WQFKMPJOAFHYNA-GFCCVEGCSA-N -1 3 299.370 3.185 20 0 CGADHM CO[C@@]1(C)CCCN(C(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000279896251 542379726 /nfs/dbraw/zinc/37/97/26/542379726.db2.gz HSKZDYMZHCCSCC-SFHVURJKSA-N -1 3 299.370 3.187 20 0 CGADHM CC1CCN(C(=O)c2cc([O-])c3ccccc3c2)CC1 ZINC000279673829 542379773 /nfs/dbraw/zinc/37/97/73/542379773.db2.gz DERVDUYIVAPVST-UHFFFAOYSA-N -1 3 269.344 3.418 20 0 CGADHM COCC1(CNC(=O)c2ccc([O-])c(C)c2)CCCCC1 ZINC000436823674 533139246 /nfs/dbraw/zinc/13/92/46/533139246.db2.gz WHAVQTBBQMOMSR-UHFFFAOYSA-N -1 3 291.391 3.027 20 0 CGADHM C[C@@H]([N-]C(=O)C(C)(F)F)c1ccc(Br)cc1 ZINC000288446162 197080614 /nfs/dbraw/zinc/08/06/14/197080614.db2.gz CRFFGDHRESXUBW-SSDOTTSWSA-N -1 3 292.123 3.282 20 0 CGADHM O=S(=O)([N-]c1ccc(F)c(F)c1F)C1=CCCCC1 ZINC000281297894 195187465 /nfs/dbraw/zinc/18/74/65/195187465.db2.gz YNUIBCJJNCISBV-UHFFFAOYSA-N -1 3 291.294 3.304 20 0 CGADHM C[C@H](NC(=O)c1cc([O-])c2ccccc2c1)c1cccnc1 ZINC000354283162 542562409 /nfs/dbraw/zinc/56/24/09/542562409.db2.gz STVBHROEOJEDTM-LBPRGKRZSA-N -1 3 292.338 3.431 20 0 CGADHM COc1ccc(C2(NC(=O)c3ccc(C)cc3[O-])CC2)cc1 ZINC000436555960 533428206 /nfs/dbraw/zinc/42/82/06/533428206.db2.gz QLKOQLIHCRQHGH-UHFFFAOYSA-N -1 3 297.354 3.128 20 0 CGADHM CN(CCC(C)(C)C)Cc1ccc(C(=O)[O-])cc1F ZINC000399879187 542621178 /nfs/dbraw/zinc/62/11/78/542621178.db2.gz JODXHRVSKAVBNL-UHFFFAOYSA-N -1 3 267.344 3.392 20 0 CGADHM COCc1ccccc1NC(=O)c1cccc(C)c1[O-] ZINC000048189568 391994383 /nfs/dbraw/zinc/99/43/83/391994383.db2.gz RIVVFJIRQNNPGW-UHFFFAOYSA-N -1 3 271.316 3.099 20 0 CGADHM COc1ccc(NC(=O)c2ccc(C)c(C)c2[O-])cc1 ZINC000048517706 392001678 /nfs/dbraw/zinc/00/16/78/392001678.db2.gz GKNZSZXVPMUTQL-UHFFFAOYSA-N -1 3 271.316 3.270 20 0 CGADHM Cc1ccc(C(=O)NCc2ccccc2C)c([O-])c1C ZINC000048517794 392003931 /nfs/dbraw/zinc/00/39/31/392003931.db2.gz HBDOXPOEMHCUJP-UHFFFAOYSA-N -1 3 269.344 3.247 20 0 CGADHM Cc1ccc(O)c(NC(=O)c2ccc(C)c(C)c2[O-])c1 ZINC000048859879 392022075 /nfs/dbraw/zinc/02/20/75/392022075.db2.gz LBTOSBNWVLBYIH-UHFFFAOYSA-N -1 3 271.316 3.275 20 0 CGADHM COc1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2C)c([O-])c1 ZINC000055482055 392098778 /nfs/dbraw/zinc/09/87/78/392098778.db2.gz WAVNKLXARKFMLW-SMDDNHRTSA-N -1 3 277.364 3.052 20 0 CGADHM CC[C@@H](NC(=O)c1ccc(OC)cc1[O-])c1ccccc1 ZINC000055463797 392098849 /nfs/dbraw/zinc/09/88/49/392098849.db2.gz RCJJSRDXIJDOPL-OAHLLOKOSA-N -1 3 285.343 3.282 20 0 CGADHM COc1ccc([O-])c(C(=O)Nc2ccc(F)c(C)c2)c1 ZINC000061120440 392125532 /nfs/dbraw/zinc/12/55/32/392125532.db2.gz KAAPKGRJPSFIGA-UHFFFAOYSA-N -1 3 275.279 3.101 20 0 CGADHM COc1ccc([O-])c(C(=O)Nc2cc(F)c(F)cc2F)c1 ZINC000061094623 392126150 /nfs/dbraw/zinc/12/61/50/392126150.db2.gz BCUYZRZOULUGOH-UHFFFAOYSA-N -1 3 297.232 3.070 20 0 CGADHM O=C(NCc1ccccc1C(F)(F)F)c1ccccc1[O-] ZINC000063238075 392136961 /nfs/dbraw/zinc/13/69/61/392136961.db2.gz PUVOZLGQMLOATD-UHFFFAOYSA-N -1 3 295.260 3.341 20 0 CGADHM COc1ccc(C(=O)N(CCC(C)C)C2CC2)c([O-])c1 ZINC000107202757 392318115 /nfs/dbraw/zinc/31/81/15/392318115.db2.gz MNHBINWWUHZFTG-UHFFFAOYSA-N -1 3 277.364 3.052 20 0 CGADHM CC[C@@H](C)[C@H](C)N(C(=O)c1ccc(O)cc1[O-])C1CC1 ZINC000105380737 392287743 /nfs/dbraw/zinc/28/77/43/392287743.db2.gz PSTIHJMCELLCLL-MNOVXSKESA-N -1 3 277.364 3.137 20 0 CGADHM COc1ccsc1C(=O)Nc1ccc(C)cc1[O-] ZINC000106282872 392299396 /nfs/dbraw/zinc/29/93/96/392299396.db2.gz KCLKHQZZSPPPNA-UHFFFAOYSA-N -1 3 263.318 3.023 20 0 CGADHM COc1ccc(NC(=O)c2cccc(C(C)C)n2)c([O-])c1 ZINC000443561143 542667255 /nfs/dbraw/zinc/66/72/55/542667255.db2.gz RYLROOQGYPTAGK-UHFFFAOYSA-N -1 3 286.331 3.172 20 0 CGADHM CCc1cc(C(=O)NC[C@H](OC)c2ccccc2)ccc1[O-] ZINC000291559969 392468466 /nfs/dbraw/zinc/46/84/66/392468466.db2.gz XTOIJURQDMCQQW-KRWDZBQOSA-N -1 3 299.370 3.072 20 0 CGADHM C[C@H](CC(=O)[N-]OC/C=C/Cl)c1c[nH]c2ccccc21 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/nfs/dbraw/zinc/29/53/75/543295375.db2.gz IDMDISQWDRJOND-UHFFFAOYSA-N -1 3 295.382 3.324 20 0 CGADHM CCc1cc(=O)[n-]c(CN2CC[C@H](C)[C@H]3CCCC[C@H]32)n1 ZINC000675183338 543319832 /nfs/dbraw/zinc/31/98/32/543319832.db2.gz YTKFTNLOHUZYGG-NWANDNLSSA-N -1 3 289.423 3.145 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CCS[C@@H]3CCCC[C@H]32)c1 ZINC000175432012 292163445 /nfs/dbraw/zinc/16/34/45/292163445.db2.gz AQEVGDYCTCXZGW-UKRRQHHQSA-N -1 3 291.416 3.201 20 0 CGADHM O=C([N-]c1cc(C(F)(F)F)ccc1F)c1cnco1 ZINC000677535557 543454173 /nfs/dbraw/zinc/45/41/73/543454173.db2.gz NXOCCUGVLUYANW-UHFFFAOYSA-N -1 3 274.173 3.085 20 0 CGADHM CCc1cc(=O)[n-]c(CN[C@@H](CC2CC2)c2ccccc2)n1 ZINC000678777745 543557498 /nfs/dbraw/zinc/55/74/98/543557498.db2.gz WDTRZTONBKSQPV-INIZCTEOSA-N -1 3 297.402 3.376 20 0 CGADHM COc1ccc(C(=O)N2C[C@@H](C(C)C)[C@@H]2C(C)C)c([O-])c1 ZINC000456301159 286281718 /nfs/dbraw/zinc/28/17/18/286281718.db2.gz UIDQBOANDQZSLH-HOCLYGCPSA-N -1 3 291.391 3.153 20 0 CGADHM Cc1ccc2[n-]cc(C(=O)N3CC[C@@H](C)C[C@H]3C)c(=O)c2c1 ZINC000332516054 292300808 /nfs/dbraw/zinc/30/08/08/292300808.db2.gz MTICLFKBPWAYKX-CHWSQXEVSA-N -1 3 298.386 3.097 20 0 CGADHM CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccccc1F ZINC000037988236 286888604 /nfs/dbraw/zinc/88/86/04/286888604.db2.gz MWWFGNIHTUZTEC-AAEUAGOBSA-N -1 3 285.384 3.073 20 0 CGADHM Cc1ccc([O-])c(C(=O)N(C)[C@@H]2CCC[C@@H](C)C2)c1 ZINC000042355457 286893855 /nfs/dbraw/zinc/89/38/55/286893855.db2.gz QGNIDGIIQWQBEG-DGCLKSJQSA-N -1 3 261.365 3.351 20 0 CGADHM COc1ccc2nc(-c3ccc(C)c(F)c3)[n-]c(=O)c2c1 ZINC000063580819 286963513 /nfs/dbraw/zinc/96/35/13/286963513.db2.gz GWFLZKUBUKQGCY-UHFFFAOYSA-N -1 3 284.290 3.046 20 0 CGADHM CC1(C)CCC(NC(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC000074374692 287012564 /nfs/dbraw/zinc/01/25/64/287012564.db2.gz UZCXARYUNHNSDX-UHFFFAOYSA-N -1 3 294.370 3.299 20 0 CGADHM Cc1cccc(C(=O)N(C)[C@H]2CCc3ccccc32)c1[O-] ZINC000078684988 287051076 /nfs/dbraw/zinc/05/10/76/287051076.db2.gz LZDPOFAGAVKQPO-INIZCTEOSA-N -1 3 281.355 3.460 20 0 CGADHM COc1ccc([C@H](C)NC(=O)c2cc(C)ccc2[O-])cc1 ZINC000080028317 287062681 /nfs/dbraw/zinc/06/26/81/287062681.db2.gz IPMYOBHXZZSDFL-LBPRGKRZSA-N -1 3 285.343 3.200 20 0 CGADHM C[C@]1(C(=O)[O-])CCN(Cc2ccccc2C(F)(F)F)C1 ZINC000062935828 165031809 /nfs/dbraw/zinc/03/18/09/165031809.db2.gz CMIMIDUKDQCJEJ-ZDUSSCGKSA-N -1 3 287.281 3.002 20 0 CGADHM C[C@@H](NC(=O)c1c([O-])cccc1O)c1ccc(Cl)s1 ZINC000089460886 287090288 /nfs/dbraw/zinc/09/02/88/287090288.db2.gz ANZZNBKNSUIPEC-SSDOTTSWSA-N -1 3 297.763 3.304 20 0 CGADHM O=C(Nc1ccccc1[O-])[C@H]1CCCc2ccccc21 ZINC000071849266 165071687 /nfs/dbraw/zinc/07/16/87/165071687.db2.gz CTACCBRPRJVZBQ-AWEZNQCLSA-N -1 3 267.328 3.451 20 0 CGADHM Cc1ccccc1S(=O)(=O)[N-]c1cc(F)ccc1F ZINC000074983462 165098337 /nfs/dbraw/zinc/09/83/37/165098337.db2.gz FXZFQMILBLWUFI-UHFFFAOYSA-N -1 3 283.299 3.074 20 0 CGADHM Cc1cc([N-]C(=O)[C@H](C)Nc2ccc(C)cc2C)on1 ZINC000078455889 165133371 /nfs/dbraw/zinc/13/33/71/165133371.db2.gz QVNABZPZUZMMFQ-LBPRGKRZSA-N -1 3 273.336 3.039 20 0 CGADHM COc1ccc(C)cc1NCc1nc(C)ccc1[O-] ZINC000091993500 165278280 /nfs/dbraw/zinc/27/82/80/165278280.db2.gz OMNKQANBSQNOAK-UHFFFAOYSA-N -1 3 258.321 3.025 20 0 CGADHM COc1ccc([O-])c(-c2nc(COc3ccccc3)no2)c1 ZINC000109037566 287127534 /nfs/dbraw/zinc/12/75/34/287127534.db2.gz YDMZTNUUEUOLRA-UHFFFAOYSA-N -1 3 298.298 3.030 20 0 CGADHM CC(C)[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccccc1F ZINC000112674587 287143757 /nfs/dbraw/zinc/14/37/57/287143757.db2.gz RTWHRNBBLAURME-JSGCOSHPSA-N -1 3 299.411 3.319 20 0 CGADHM COc1cccc(C(=O)Nc2ccc3[nH]ccc3c2)c1[O-] ZINC000113415852 287147922 /nfs/dbraw/zinc/14/79/22/287147922.db2.gz NXKRFIAPJHKXGF-UHFFFAOYSA-N -1 3 282.299 3.134 20 0 CGADHM Cc1ccc(C(=O)N2CC[C@H](C)C[C@@H](C)C2)c([O-])c1 ZINC000119315687 287167952 /nfs/dbraw/zinc/16/79/52/287167952.db2.gz ZQVDPULTNHHUFA-QWHCGFSZSA-N -1 3 261.365 3.209 20 0 CGADHM CCC(CC)n1nccc1C(=O)Nc1ccc([O-])cc1F ZINC000124281625 287231762 /nfs/dbraw/zinc/23/17/62/287231762.db2.gz KWMLCSMMYYRSQC-UHFFFAOYSA-N -1 3 291.326 3.341 20 0 CGADHM C/C(=C\C(=O)Nc1ccccc1[O-])c1ccccc1 ZINC000005909170 170153548 /nfs/dbraw/zinc/15/35/48/170153548.db2.gz DQKURAZBIIPKII-VAWYXSNFSA-N -1 3 253.301 3.434 20 0 CGADHM O=S(=O)([N-]c1cc(Cl)ccc1F)c1ccccc1 ZINC000007403664 170282901 /nfs/dbraw/zinc/28/29/01/170282901.db2.gz QOKCCDGNGVFWIG-UHFFFAOYSA-N -1 3 285.727 3.280 20 0 CGADHM C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)C1CC1 ZINC000007703067 170298215 /nfs/dbraw/zinc/29/82/15/170298215.db2.gz XMKZXUDSUNWQFV-SSDOTTSWSA-N -1 3 294.203 3.070 20 0 CGADHM CCOC(=O)c1ccc(NC(=O)c2cccc(C)c2)c([O-])c1 ZINC000124771746 287237006 /nfs/dbraw/zinc/23/70/06/287237006.db2.gz XIUXOVAJFIVBCG-UHFFFAOYSA-N -1 3 299.326 3.130 20 0 CGADHM Cc1cc([C@H](C)N2CC[C@@H](C)[C@@H](C)C2)oc1C(=O)[O-] ZINC000576761451 335244888 /nfs/dbraw/zinc/24/48/88/335244888.db2.gz MLSTXZUPPBJWTD-USWWRNFRSA-N -1 3 265.353 3.325 20 0 CGADHM Cc1nnc(-c2ccccc2C(=O)Nc2ccccc2[O-])o1 ZINC000126336260 287262152 /nfs/dbraw/zinc/26/21/52/287262152.db2.gz QBEHTKZMUMIPHI-UHFFFAOYSA-N -1 3 295.298 3.003 20 0 CGADHM CCCCn1ncc(NC(=O)c2cc(C)ccc2[O-])c1C ZINC000127333328 287285796 /nfs/dbraw/zinc/28/57/96/287285796.db2.gz SZGCGUKVXIBRJL-UHFFFAOYSA-N -1 3 287.363 3.258 20 0 CGADHM Cc1cccc(OCCC(=O)Nc2ccccc2[O-])c1C ZINC000127504442 287289062 /nfs/dbraw/zinc/28/90/62/287289062.db2.gz QFHTWLLJGMTRSM-UHFFFAOYSA-N -1 3 285.343 3.417 20 0 CGADHM CC1(C)C(C(=O)Nc2cccc([O-])c2F)C1(C)C ZINC000129173878 287325978 /nfs/dbraw/zinc/32/59/78/287325978.db2.gz KCOJXHDUMUTYBW-UHFFFAOYSA-N -1 3 251.301 3.152 20 0 CGADHM CC(C)(C)C1CCN(Cc2occc2C(=O)[O-])CC1 ZINC000050347463 416477215 /nfs/dbraw/zinc/47/72/15/416477215.db2.gz MJPHCEYERCSFDO-UHFFFAOYSA-N -1 3 265.353 3.236 20 0 CGADHM CCCc1nc(COc2ccc3c([O-])coc3c2)cs1 ZINC000057524010 416483436 /nfs/dbraw/zinc/48/34/36/416483436.db2.gz MJUPFQQBGHNFLT-UHFFFAOYSA-N -1 3 289.356 3.250 20 0 CGADHM O=C(CCc1cccc(Cl)c1)Nc1ncccc1[O-] ZINC000048398663 416449643 /nfs/dbraw/zinc/44/96/43/416449643.db2.gz LBDAQJMXBLYXCV-UHFFFAOYSA-N -1 3 276.723 3.012 20 0 CGADHM C[C@H](CN1Cc2ccccc2[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000315867844 416539179 /nfs/dbraw/zinc/53/91/79/416539179.db2.gz IIMSKNKBDLAQSH-RDTXWAMCSA-N -1 3 295.382 3.474 20 0 CGADHM Cc1cc(F)ccc1CN1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000316197275 416539358 /nfs/dbraw/zinc/53/93/58/416539358.db2.gz YYYCSLTVKDZVPU-KRWDZBQOSA-N -1 3 299.345 3.318 20 0 CGADHM CCc1ccccc1C(=O)Nc1cc(F)ccc1[O-] ZINC000129614951 287336061 /nfs/dbraw/zinc/33/60/61/287336061.db2.gz NETSSLLPIOERPG-UHFFFAOYSA-N -1 3 259.280 3.346 20 0 CGADHM Cc1cc(C(=O)N[C@H]2C[C@]2(C)c2ccccc2)ccc1[O-] ZINC000679411150 543636414 /nfs/dbraw/zinc/63/64/14/543636414.db2.gz WXJLBPQYZRZYMU-FUHWJXTLSA-N -1 3 281.355 3.161 20 0 CGADHM Cc1cc(C(=O)Nc2nc(C)ccc2[O-])c(C)s1 ZINC000680321473 543696570 /nfs/dbraw/zinc/69/65/70/543696570.db2.gz PYZDTMKCGUEQEZ-UHFFFAOYSA-N -1 3 262.334 3.026 20 0 CGADHM CCCCS[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736462749 572794945 /nfs/dbraw/zinc/79/49/45/572794945.db2.gz JKGHHTWUHKZDPB-JTQLQIEISA-N -1 3 262.382 3.461 20 0 CGADHM CCCCS[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736462749 572794951 /nfs/dbraw/zinc/79/49/51/572794951.db2.gz JKGHHTWUHKZDPB-JTQLQIEISA-N -1 3 262.382 3.461 20 0 CGADHM O=C([N-]c1nnc(C2CC2)s1)c1csc(Cl)c1 ZINC000682436758 543845856 /nfs/dbraw/zinc/84/58/56/543845856.db2.gz ZSFXZBCAYZTDIO-UHFFFAOYSA-N -1 3 285.781 3.383 20 0 CGADHM CCc1ccc(C(=O)N(C)Cc2ccsc2)c([O-])c1 ZINC000682444596 543846708 /nfs/dbraw/zinc/84/67/08/543846708.db2.gz YEAITIKNSQBKIR-UHFFFAOYSA-N -1 3 275.373 3.288 20 0 CGADHM CC(C)CCN(C)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000682453903 543847418 /nfs/dbraw/zinc/84/74/18/543847418.db2.gz DGZOIBCJOBAJCN-UHFFFAOYSA-N -1 3 281.371 3.359 20 0 CGADHM CCc1noc(C)c1-c1noc(-c2cccc(C)c2[O-])n1 ZINC000683605962 543929303 /nfs/dbraw/zinc/92/93/03/543929303.db2.gz QVWFCNOTIPSAOO-UHFFFAOYSA-N -1 3 285.303 3.276 20 0 CGADHM Cc1csc(C(=O)[N-]c2cnoc2)c1Br ZINC000683127451 543897771 /nfs/dbraw/zinc/89/77/71/543897771.db2.gz STIKBKPRSXBGBP-UHFFFAOYSA-N -1 3 287.138 3.059 20 0 CGADHM O=C([O-])c1cccc(CNCc2cccc3cnccc32)c1 ZINC000683175949 543901427 /nfs/dbraw/zinc/90/14/27/543901427.db2.gz DYJQNAFKLLQYSQ-UHFFFAOYSA-N -1 3 292.338 3.223 20 0 CGADHM Cc1ccc(-c2ocnc2C(=O)[N-]c2ccncc2F)cc1 ZINC000132025464 287395179 /nfs/dbraw/zinc/39/51/79/287395179.db2.gz JGQFRMVBSTYQRF-UHFFFAOYSA-N -1 3 297.289 3.436 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCC(C3CCCC3)CC2)n1 ZINC000684093315 543966633 /nfs/dbraw/zinc/96/66/33/543966633.db2.gz PUXKAACGUYZYIU-CYBMUJFWSA-N -1 3 289.423 3.454 20 0 CGADHM COc1ccc(NCc2cc([O-])cc(C(F)(F)F)c2)nc1 ZINC000685618290 544090086 /nfs/dbraw/zinc/09/00/86/544090086.db2.gz XLSMKFHKCCBIIG-UHFFFAOYSA-N -1 3 298.264 3.427 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)Cc2ccc(O)cc2)c1[O-] ZINC000133835243 287430579 /nfs/dbraw/zinc/43/05/79/287430579.db2.gz JSIHVNKYEBSKOT-UHFFFAOYSA-N -1 3 291.734 3.241 20 0 CGADHM Cc1cc(C)cc(-c2cc(=NC(=O)C3CC=CC3)[nH][n-]2)c1 ZINC000354679721 227068966 /nfs/dbraw/zinc/06/89/66/227068966.db2.gz RWZQIBUZMASSGN-UHFFFAOYSA-N -1 3 281.359 3.020 20 0 CGADHM C[C@@]1(CNC(=O)c2cccc([O-])c2)C[C@@H]1c1ccccc1 ZINC000355047824 227344127 /nfs/dbraw/zinc/34/41/27/227344127.db2.gz KPXCHWRYXACEGQ-AEFFLSMTSA-N -1 3 281.355 3.316 20 0 CGADHM CCCc1nc(C)c(CN2CCCC[C@H]2CCC(=O)[O-])o1 ZINC000652496543 418976789 /nfs/dbraw/zinc/97/67/89/418976789.db2.gz ZNXKUWLQWPKFTH-ZDUSSCGKSA-N -1 3 294.395 3.155 20 0 CGADHM CCc1oc(C(=O)[O-])cc1CN1[C@H](C)CCC[C@H]1C ZINC000652367122 418958180 /nfs/dbraw/zinc/95/81/80/418958180.db2.gz PFAGBFIRDWASTR-GHMZBOCLSA-N -1 3 265.353 3.303 20 0 CGADHM Oc1ccc2c(c1)[C@@H]([N-]c1nc(C3CCC3)no1)CC2 ZINC000664451927 418961343 /nfs/dbraw/zinc/96/13/43/418961343.db2.gz OPWDXFXARHVJAM-ZDUSSCGKSA-N -1 3 271.320 3.142 20 0 CGADHM c1cc(-c2noc([C@@H]3CCCC4(CC4)C3)n2)cc2n[n-]nc12 ZINC000664877587 419018974 /nfs/dbraw/zinc/01/89/74/419018974.db2.gz NJVQXGUXELTJKU-LLVKDONJSA-N -1 3 295.346 3.446 20 0 CGADHM O=C([O-])[C@@H]1CN(Cc2cc(Cl)ccc2F)C[C@H]1C1CC1 ZINC000652515353 418978704 /nfs/dbraw/zinc/97/87/04/418978704.db2.gz ZTDURPLNHBOZLG-QWHCGFSZSA-N -1 3 297.757 3.022 20 0 CGADHM CC[C@H]1CN(C(=O)c2ccc(C)c(C)c2[O-])[C@@H](CC)CO1 ZINC000652762448 418990205 /nfs/dbraw/zinc/99/02/05/418990205.db2.gz KRUGJUSMZYCXFT-KBPBESRZSA-N -1 3 291.391 3.039 20 0 CGADHM Cc1oc(C(=O)[O-])cc1CN1CCC[C@@H](C2CCC2)C1 ZINC000659800865 418994959 /nfs/dbraw/zinc/99/49/59/418994959.db2.gz CAAXXGGRPKOHNS-CYBMUJFWSA-N -1 3 277.364 3.298 20 0 CGADHM CN(CC1=CCSC1)[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000659805692 418996974 /nfs/dbraw/zinc/99/69/74/418996974.db2.gz XBAHBGASFVQOJG-CYBMUJFWSA-N -1 3 297.807 3.071 20 0 CGADHM CSc1cccnc1[N-]C(=O)c1nc(C)sc1C ZINC000652876720 418997129 /nfs/dbraw/zinc/99/71/29/418997129.db2.gz COYKTOKSBJGVGR-UHFFFAOYSA-N -1 3 279.390 3.129 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@@H]1C[C@H]1C1CCCC1 ZINC000653035843 419012166 /nfs/dbraw/zinc/01/21/66/419012166.db2.gz CCNWQNCLKWSPJM-QWHCGFSZSA-N -1 3 275.396 3.028 20 0 CGADHM CC(C)(C)c1coc([N-]C(=O)c2coc(C3CC3)n2)n1 ZINC000653926064 419114484 /nfs/dbraw/zinc/11/44/84/419114484.db2.gz ZJOGLCXHAHOMKW-UHFFFAOYSA-N -1 3 275.308 3.090 20 0 CGADHM CN(CCC1CCC1)Cc1nc(=O)c2sccc2[n-]1 ZINC000660294591 419123282 /nfs/dbraw/zinc/12/32/82/419123282.db2.gz XMLKGAXHXBGPLL-UHFFFAOYSA-N -1 3 277.393 3.019 20 0 CGADHM CCCN(CCC)C(=O)c1cc(SC)ccc1[O-] ZINC000665102041 419055612 /nfs/dbraw/zinc/05/56/12/419055612.db2.gz MNEGTVPVIWLNKP-UHFFFAOYSA-N -1 3 267.394 3.376 20 0 CGADHM CC(C)[C@H]([N-]S(=O)(=O)c1ccc(Cl)s1)C1CC1 ZINC000660045462 419067606 /nfs/dbraw/zinc/06/76/06/419067606.db2.gz BJUCCPSUORORTF-NSHDSACASA-N -1 3 293.841 3.114 20 0 CGADHM Cc1ccc2c(c1)[C@H]([N-]c1nc(C3CCOCC3)no1)CC2 ZINC000665700119 419152034 /nfs/dbraw/zinc/15/20/34/419152034.db2.gz BJQAQENWXWBEFD-OAHLLOKOSA-N -1 3 299.374 3.371 20 0 CGADHM CN(Cc1cc(=O)[n-]c(C2CC2)n1)C(C)(C)c1ccccc1 ZINC000656513620 419179195 /nfs/dbraw/zinc/17/91/95/419179195.db2.gz WGEDDRRJTZNWMI-UHFFFAOYSA-N -1 3 297.402 3.427 20 0 CGADHM C[C@H](c1ccccc1)[C@H](NCc1ccc(Cl)o1)C(=O)[O-] ZINC000656569784 419184490 /nfs/dbraw/zinc/18/44/90/419184490.db2.gz TXGSPZRGAFJJKD-YGRLFVJLSA-N -1 3 293.750 3.280 20 0 CGADHM CCc1cccc2cc(CNC3([C@@H](C)C(=O)[O-])CC3)oc21 ZINC000656567616 419184863 /nfs/dbraw/zinc/18/48/63/419184863.db2.gz XCDNFNMPZWHWOH-NSHDSACASA-N -1 3 287.359 3.338 20 0 CGADHM Cc1cc(=O)[n-]c(C(C)(C)NCCC(C)(C)C2CC2)n1 ZINC000660748877 419189877 /nfs/dbraw/zinc/18/98/77/419189877.db2.gz BVEMIDUBFZSZOI-UHFFFAOYSA-N -1 3 277.412 3.142 20 0 CGADHM O=C([O-])c1ccc2c(c1)CN(CCCC1CCC1)CC2 ZINC000656756730 419209587 /nfs/dbraw/zinc/20/95/87/419209587.db2.gz ODHRQELVZXVNEN-UHFFFAOYSA-N -1 3 273.376 3.323 20 0 CGADHM c1ccc(-c2nc(SCCC3CCC3)n[n-]2)nc1 ZINC000657249263 419236418 /nfs/dbraw/zinc/23/64/18/419236418.db2.gz HXLMDOLSNRIAOY-UHFFFAOYSA-N -1 3 260.366 3.149 20 0 CGADHM CCC(C)(C)[C@H](C)NC(=O)NCc1ccc([O-])c(F)c1 ZINC000661558830 419272897 /nfs/dbraw/zinc/27/28/97/419272897.db2.gz JYPNGEMYNZQRCP-JTQLQIEISA-N -1 3 282.359 3.155 20 0 CGADHM CCc1cnc(S(=O)(=O)Cc2cccc(C(C)C)c2)[n-]1 ZINC000663245612 419528734 /nfs/dbraw/zinc/52/87/34/419528734.db2.gz VETBEZYXMQDQGQ-UHFFFAOYSA-N -1 3 292.404 3.069 20 0 CGADHM CCc1c[n-]c(S(=O)(=O)Cc2cccc(C(C)C)c2)n1 ZINC000663245612 419528744 /nfs/dbraw/zinc/52/87/44/419528744.db2.gz VETBEZYXMQDQGQ-UHFFFAOYSA-N -1 3 292.404 3.069 20 0 CGADHM CSCC[C@@H](C)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737180035 572865094 /nfs/dbraw/zinc/86/50/94/572865094.db2.gz ANVSPRWRGKUIKO-MRVPVSSYSA-N -1 3 297.815 3.074 20 0 CGADHM CSCC[C@@H](C)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737180035 572865097 /nfs/dbraw/zinc/86/50/97/572865097.db2.gz ANVSPRWRGKUIKO-MRVPVSSYSA-N -1 3 297.815 3.074 20 0 CGADHM CCc1nc([N-]C(=O)c2ccc(Oc3ccccc3)o2)n[nH]1 ZINC000182248152 262114049 /nfs/dbraw/zinc/11/40/49/262114049.db2.gz AFJNOQZJVADFKN-UHFFFAOYSA-N -1 3 298.302 3.005 20 0 CGADHM Cc1ccc(C(=O)NC2CCC(F)(F)CC2)c([O-])c1 ZINC000390365217 262184302 /nfs/dbraw/zinc/18/43/02/262184302.db2.gz NQEYPTPADNQJAO-UHFFFAOYSA-N -1 3 269.291 3.008 20 0 CGADHM COc1cccc(C(=O)N[C@@H](C)CCCC(C)C)c1[O-] ZINC000042272554 270032067 /nfs/dbraw/zinc/03/20/67/270032067.db2.gz KOLHCJNOCLUUNO-LBPRGKRZSA-N -1 3 279.380 3.345 20 0 CGADHM Cc1cccc(C(=O)Nc2cc3n[nH]cc3cc2C)c1[O-] ZINC000104920870 270047201 /nfs/dbraw/zinc/04/72/01/270047201.db2.gz XVYKDLPVGUEFOB-UHFFFAOYSA-N -1 3 281.315 3.138 20 0 CGADHM COc1cc(C)cc(C(=O)N2C[C@H](C)c3ccccc32)c1[O-] ZINC000106907463 270049174 /nfs/dbraw/zinc/04/91/74/270049174.db2.gz VVAFIDILMYNSBO-LBPRGKRZSA-N -1 3 297.354 3.473 20 0 CGADHM COc1ccc(F)cc1NCc1cc([O-])cc(F)c1 ZINC000185616173 270063573 /nfs/dbraw/zinc/06/35/73/270063573.db2.gz GXMCYHNLMZBKAO-UHFFFAOYSA-N -1 3 265.259 3.291 20 0 CGADHM O=C([N-]c1ccc(Cl)cc1F)c1ncc(F)cc1F ZINC000192047046 270076790 /nfs/dbraw/zinc/07/67/90/270076790.db2.gz QUJZEGFNWKLPET-UHFFFAOYSA-N -1 3 286.640 3.405 20 0 CGADHM CC[C@@H](C)Sc1ccc(NC(=O)c2cnn[n-]2)c(C)c1 ZINC000194792711 270082993 /nfs/dbraw/zinc/08/29/93/270082993.db2.gz MGJCMVWXYCTUKY-SNVBAGLBSA-N -1 3 290.392 3.256 20 0 CGADHM CC[C@@H](C)Sc1ccc(NC(=O)c2c[n-]nn2)c(C)c1 ZINC000194792711 270082994 /nfs/dbraw/zinc/08/29/94/270082994.db2.gz MGJCMVWXYCTUKY-SNVBAGLBSA-N -1 3 290.392 3.256 20 0 CGADHM CC[C@@H](C)Sc1ccc(NC(=O)c2cn[n-]n2)c(C)c1 ZINC000194792711 270082995 /nfs/dbraw/zinc/08/29/95/270082995.db2.gz MGJCMVWXYCTUKY-SNVBAGLBSA-N -1 3 290.392 3.256 20 0 CGADHM CS[C@H]1CCC[C@H](NC(=O)c2ccc(C)cc2[O-])C1 ZINC000227355161 270086981 /nfs/dbraw/zinc/08/69/81/270086981.db2.gz MRVNMBVRPUKEMR-RYUDHWBXSA-N -1 3 279.405 3.105 20 0 CGADHM [O-]c1cc2ccccc2cc1-c1nc([C@@H]2CCCOC2)no1 ZINC000316536087 270092906 /nfs/dbraw/zinc/09/29/06/270092906.db2.gz ODKNNFWAJNJDJD-CYBMUJFWSA-N -1 3 296.326 3.489 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)c2ccccc2F)c1-c1ccccc1 ZINC000523333553 270108331 /nfs/dbraw/zinc/10/83/31/270108331.db2.gz QOJJXCUSPBNOET-UHFFFAOYSA-N -1 3 295.317 3.198 20 0 CGADHM CCOC(=O)c1[n-]c(C)nc1NC(=O)CCCC(C)(C)C ZINC000525149845 270117488 /nfs/dbraw/zinc/11/74/88/270117488.db2.gz BRGPGHWGVZMLQG-UHFFFAOYSA-N -1 3 295.383 3.050 20 0 CGADHM CCOC(=O)c1nc(C)[n-]c1NC(=O)CCCC(C)(C)C ZINC000525149845 270117489 /nfs/dbraw/zinc/11/74/89/270117489.db2.gz BRGPGHWGVZMLQG-UHFFFAOYSA-N -1 3 295.383 3.050 20 0 CGADHM Cc1ccc([O-])c(CN[C@H](c2ccccn2)C2CCC2)n1 ZINC000527773071 270135160 /nfs/dbraw/zinc/13/51/60/270135160.db2.gz ONEWGPOPUQYYMJ-KRWDZBQOSA-N -1 3 283.375 3.122 20 0 CGADHM CCc1ccc(-c2nc([C@H]3CC[C@@H](C)O3)no2)c([O-])c1 ZINC000528235921 270158997 /nfs/dbraw/zinc/15/89/97/270158997.db2.gz LWZIZGIKYAAGOB-NOZJJQNGSA-N -1 3 274.320 3.245 20 0 CGADHM CN(CCC1CC1)C(=O)c1cc([O-])cc(Br)c1 ZINC000528876105 270175115 /nfs/dbraw/zinc/17/51/15/270175115.db2.gz NZPCBFCQMOGRKM-UHFFFAOYSA-N -1 3 298.180 3.027 20 0 CGADHM Cc1cc(F)c(NC([O-])=NOC(C)C)c(Cl)c1 ZINC000529258341 270178892 /nfs/dbraw/zinc/17/88/92/270178892.db2.gz RXBAPGRFLKSZPV-UHFFFAOYSA-N -1 3 260.696 3.249 20 0 CGADHM Cc1cc(F)c(NC(=O)[N-]OC(C)C)c(Cl)c1 ZINC000529258341 270178893 /nfs/dbraw/zinc/17/88/93/270178893.db2.gz RXBAPGRFLKSZPV-UHFFFAOYSA-N -1 3 260.696 3.249 20 0 CGADHM CC(=O)c1cccc(NC(=O)[C@H]2CCCC23CC3)c1[O-] ZINC000529389168 270180170 /nfs/dbraw/zinc/18/01/70/270180170.db2.gz TYPPXHLTKUOSGO-GFCCVEGCSA-N -1 3 273.332 3.114 20 0 CGADHM CC(C)c1ccc(C(=O)N2CC(Cc3ccco3)C2)c([O-])c1 ZINC000529862422 270190009 /nfs/dbraw/zinc/19/00/09/270190009.db2.gz PPDXBHJHDCUVFJ-UHFFFAOYSA-N -1 3 299.370 3.423 20 0 CGADHM C[C@@H]1CCC[C@H](CCN2CCc3occc3[C@@H]2C(=O)[O-])C1 ZINC000530167723 270195243 /nfs/dbraw/zinc/19/52/43/270195243.db2.gz YXYCDKKEKKPXCS-XJKCOSOUSA-N -1 3 291.391 3.480 20 0 CGADHM C[C@@H]1CN(CC2CCC(C(C)(C)C)CC2)C[C@@H](C(=O)[O-])O1 ZINC000530169578 270195393 /nfs/dbraw/zinc/19/53/93/270195393.db2.gz LNEJOJPHIRBDSE-URGYJCLVSA-N -1 3 297.439 3.013 20 0 CGADHM O=C([O-])[C@H]1c2ccoc2CCN1C[C@@H]1C[C@H]1c1ccccc1 ZINC000530165889 270195493 /nfs/dbraw/zinc/19/54/93/270195493.db2.gz JARKQHGQYJDZSO-JLJPHGGASA-N -1 3 297.354 3.067 20 0 CGADHM CCc1cccc(C(=O)N(C)Cc2ccc(OC)cc2)c1[O-] ZINC000531117230 270204330 /nfs/dbraw/zinc/20/43/30/270204330.db2.gz IOWSRILMKFELPQ-UHFFFAOYSA-N -1 3 299.370 3.235 20 0 CGADHM Cc1ccc([O-])c(C(=O)NC[C@H]2[C@@H]3c4ccccc4C[C@H]23)c1 ZINC000532273749 270214725 /nfs/dbraw/zinc/21/47/25/270214725.db2.gz YCJOBXMAIDRUOK-QGPMSJSTSA-N -1 3 293.366 3.016 20 0 CGADHM CCc1cccc(C(=O)N[C@H]2CCCC(F)(F)C2)c1[O-] ZINC000532271477 270214742 /nfs/dbraw/zinc/21/47/42/270214742.db2.gz HOGSZHIMXUZFOA-NSHDSACASA-N -1 3 283.318 3.262 20 0 CGADHM O=C(NCCCc1ccccc1)c1cc([O-])ccc1Cl ZINC000236611827 287651758 /nfs/dbraw/zinc/65/17/58/287651758.db2.gz JNQPOMMUQFUFOP-UHFFFAOYSA-N -1 3 289.762 3.408 20 0 CGADHM CCc1cc(C(=O)N[C@H]2c3ccccc3O[C@H]2C)ccc1[O-] ZINC000495180653 276661061 /nfs/dbraw/zinc/66/10/61/276661061.db2.gz ABWKKDTXJUHTMH-APPDUMDISA-N -1 3 297.354 3.207 20 0 CGADHM CSC[C@@H](C)C(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000186270621 277512518 /nfs/dbraw/zinc/51/25/18/277512518.db2.gz AGFHLPHKHHYTKU-GHMZBOCLSA-N -1 3 279.405 3.232 20 0 CGADHM CC(C)(C)CNCc1cccc([O-])c1Br ZINC000314943172 278327065 /nfs/dbraw/zinc/32/70/65/278327065.db2.gz BHZOYLQXMGAEIR-UHFFFAOYSA-N -1 3 272.186 3.290 20 0 CGADHM Cc1cc(C(=O)N2C[C@@H](C)c3ccccc32)ccc1[O-] ZINC000398570298 288046348 /nfs/dbraw/zinc/04/63/48/288046348.db2.gz OYNOJQKBJKUMCO-GFCCVEGCSA-N -1 3 267.328 3.465 20 0 CGADHM CCC[C@@H]1CCCCN1C(=O)c1cccc(C)c1[O-] ZINC000179512456 278880566 /nfs/dbraw/zinc/88/05/66/278880566.db2.gz LTWOETUFWLOLLA-CYBMUJFWSA-N -1 3 261.365 3.495 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)N2CC[C@H](C)C3(CCC3)C2)n1 ZINC000517010172 288130191 /nfs/dbraw/zinc/13/01/91/288130191.db2.gz SZKGWGULVKQVBD-WCQYABFASA-N -1 3 275.396 3.064 20 0 CGADHM Cc1ncc(CN[C@@H]2CC[C@H](C)c3ccsc32)c(=O)[n-]1 ZINC000519319243 288134160 /nfs/dbraw/zinc/13/41/60/288134160.db2.gz FPSSEQZOFAHNEE-TVQRCGJNSA-N -1 3 289.404 3.280 20 0 CGADHM C[C@@H]1CCN([C@@H](C(=O)[O-])c2ccccc2C(F)(F)F)C1 ZINC000521886997 288142480 /nfs/dbraw/zinc/14/24/80/288142480.db2.gz VNBGRONQFRNDJT-BXKDBHETSA-N -1 3 287.281 3.173 20 0 CGADHM COc1ccc(Cl)c(CN(CCC(=O)[O-])CC(C)C)c1 ZINC000521886784 288142495 /nfs/dbraw/zinc/14/24/95/288142495.db2.gz LOBGSCRILKEGDA-UHFFFAOYSA-N -1 3 299.798 3.281 20 0 CGADHM O=C([C@@H]1CCC[C@H](F)C1)N1CCCc2cccc([O-])c21 ZINC000335223788 280090707 /nfs/dbraw/zinc/09/07/07/280090707.db2.gz QSRKIUSLKIDQRU-OLZOCXBDSA-N -1 3 277.339 3.200 20 0 CGADHM O=C([C@H]1CC=CCC1)N1CCCc2cccc([O-])c21 ZINC000063063836 280126947 /nfs/dbraw/zinc/12/69/47/280126947.db2.gz SGKFYKSASCANLB-ZDUSSCGKSA-N -1 3 257.333 3.028 20 0 CGADHM CC[C@H]1CC[C@H](C)N1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000271759202 288243841 /nfs/dbraw/zinc/24/38/41/288243841.db2.gz GMHDRERBBPUJDF-RYUDHWBXSA-N -1 3 284.359 3.344 20 0 CGADHM O=C(NCC1CC=CC1)c1cc([O-])ccc1C(F)(F)F ZINC000529710988 288274787 /nfs/dbraw/zinc/27/47/87/288274787.db2.gz YXAHNNFDFXOZBR-UHFFFAOYSA-N -1 3 285.265 3.107 20 0 CGADHM Cc1ccc(NC(=O)[C@H]2CC23CCSCC3)c([O-])c1 ZINC000336231477 280906920 /nfs/dbraw/zinc/90/69/20/280906920.db2.gz MMOAHIYLMSZOMS-LLVKDONJSA-N -1 3 277.389 3.172 20 0 CGADHM C[C@H](c1cccc2ccccc21)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC000530170038 288291812 /nfs/dbraw/zinc/29/18/12/288291812.db2.gz OERYQNVVVMZFAO-XNJGSVPQSA-N -1 3 299.370 3.075 20 0 CGADHM C[C@H]1CC(F)(F)CCN1CCc1ccccc1C(=O)[O-] ZINC000530174686 288293584 /nfs/dbraw/zinc/29/35/84/288293584.db2.gz YOFXCUWYCVJDPA-NSHDSACASA-N -1 3 283.318 3.047 20 0 CGADHM Cc1cc(S(=O)(=O)[N-]C(C)(C)C2CC2)sc1Cl ZINC000530386330 288302947 /nfs/dbraw/zinc/30/29/47/288302947.db2.gz ORILCEMXMGFUGP-UHFFFAOYSA-N -1 3 293.841 3.177 20 0 CGADHM Cc1cccc(C(=O)N2CC(C)(C)[C@H]2C(C)C)c1[O-] ZINC000293895763 281189326 /nfs/dbraw/zinc/18/93/26/281189326.db2.gz LLLNRXZFOKPGQI-CQSZACIVSA-N -1 3 261.365 3.207 20 0 CGADHM Cc1nc(CC2CC2)oc1C(=O)Nc1cccc([O-])c1F ZINC000530401466 288304409 /nfs/dbraw/zinc/30/44/09/288304409.db2.gz CBJMWTNSPUYPEB-UHFFFAOYSA-N -1 3 290.294 3.033 20 0 CGADHM CC1(C)CN(C(=O)c2cccc([O-])c2)[C@H]1c1ccncc1 ZINC000294046002 281222808 /nfs/dbraw/zinc/22/28/08/281222808.db2.gz VKZWTRYFUNTQQB-HNNXBMFYSA-N -1 3 282.343 3.011 20 0 CGADHM CC[C@H]1C[C@H](C)CN1Cc1c(F)ccc([O-])c1F ZINC000508636518 281235541 /nfs/dbraw/zinc/23/55/41/281235541.db2.gz LHTJQCQYSUUZOU-UWVGGRQHSA-N -1 3 255.308 3.291 20 0 CGADHM Cc1cccc([O-])c1NC(=O)[C@@H]1CCOc2ccccc21 ZINC000179559732 281249091 /nfs/dbraw/zinc/24/90/91/281249091.db2.gz UAPPMAVNPSTHCJ-CYBMUJFWSA-N -1 3 283.327 3.205 20 0 CGADHM Cc1cnc([N-]C(=O)c2cc(-c3ccc(C)cc3)no2)o1 ZINC000443928675 281623165 /nfs/dbraw/zinc/62/31/65/281623165.db2.gz PTSKXZRWOXUEKW-UHFFFAOYSA-N -1 3 283.287 3.199 20 0 CGADHM CCC(CC)(CCO)NCc1cccc([O-])c1Cl ZINC000293342220 282069081 /nfs/dbraw/zinc/06/90/81/282069081.db2.gz SJSZMAUJLVRQMB-UHFFFAOYSA-N -1 3 271.788 3.076 20 0 CGADHM CCCN(CC1CC1)C(=O)c1cccc(CC)c1[O-] ZINC000538749328 288587336 /nfs/dbraw/zinc/58/73/36/288587336.db2.gz HSKXHJSUJLCOPD-UHFFFAOYSA-N -1 3 261.365 3.217 20 0 CGADHM Cc1cc(C(=O)N[C@H]2CCc3ccc(F)cc32)ccc1[O-] ZINC000541854663 288723658 /nfs/dbraw/zinc/72/36/58/288723658.db2.gz QATXNMQXRQXPAK-HNNXBMFYSA-N -1 3 285.318 3.257 20 0 CGADHM Cc1cc(F)ccc1Cc1nc2ccc([O-])cc2c(=O)[nH]1 ZINC000547806631 288977500 /nfs/dbraw/zinc/97/75/00/288977500.db2.gz IHQBEWIYVJWAKB-UHFFFAOYSA-N -1 3 284.290 3.079 20 0 CGADHM CCc1ccc([O-])c(C(=O)NCc2cccc(C(C)=O)c2)c1 ZINC000552192654 289171095 /nfs/dbraw/zinc/17/10/95/289171095.db2.gz BLNKGMSFUWWUJY-UHFFFAOYSA-N -1 3 297.354 3.087 20 0 CGADHM CCCCS[C@H](C)C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000552286475 289178986 /nfs/dbraw/zinc/17/89/86/289178986.db2.gz QVBKFWYVKMCRNS-LLVKDONJSA-N -1 3 295.404 3.455 20 0 CGADHM CC[C@H]1C[C@@H](C(=O)Nc2c([O-])cccc2Cl)CCO1 ZINC000552779902 289198423 /nfs/dbraw/zinc/19/84/23/289198423.db2.gz MJIICALYSHRABM-UWVGGRQHSA-N -1 3 283.755 3.189 20 0 CGADHM CCc1cc(C(=O)NCC2(c3ccccc3)CC2)ccc1[O-] ZINC000553247313 289215377 /nfs/dbraw/zinc/21/53/77/289215377.db2.gz TWUMGKVMZBRUGP-UHFFFAOYSA-N -1 3 295.382 3.416 20 0 CGADHM COc1ccc([C@H](NCc2ncccc2[O-])C2CC2)cc1 ZINC000554857973 289314148 /nfs/dbraw/zinc/31/41/48/289314148.db2.gz FYUJILZUJOVMHT-QGZVFWFLSA-N -1 3 284.359 3.037 20 0 CGADHM CC(C)CCC[C@H](C)NC(=O)N=c1cc2ccccn2[n-]1 ZINC000558463664 289497790 /nfs/dbraw/zinc/49/77/90/289497790.db2.gz HFXDVTVPXDRKHA-ZDUSSCGKSA-N -1 3 288.395 3.093 20 0 CGADHM CC1(C)CCN1C(=O)CCc1ccc2ccccc2c1[O-] ZINC000560167838 289575241 /nfs/dbraw/zinc/57/52/41/289575241.db2.gz CKEJVJLSZUUSJU-UHFFFAOYSA-N -1 3 283.371 3.489 20 0 CGADHM O=C(Nc1ccccc1[O-])c1ccncc1C(F)(F)F ZINC000192181089 335091117 /nfs/dbraw/zinc/09/11/17/335091117.db2.gz SUPZBKCNDULJFG-UHFFFAOYSA-N -1 3 282.221 3.058 20 0 CGADHM COc1ccc(C(=O)N(C)C2CCCCCC2)c([O-])c1 ZINC000035175526 295078972 /nfs/dbraw/zinc/07/89/72/295078972.db2.gz QICVSTZIDRCZAY-UHFFFAOYSA-N -1 3 277.364 3.196 20 0 CGADHM COc1ccc(CN[C@H](C(=O)[O-])c2cc(C)cc(C)c2)cc1 ZINC000426757118 533694451 /nfs/dbraw/zinc/69/44/51/533694451.db2.gz NVNAIMNRKSHDPT-KRWDZBQOSA-N -1 3 299.370 3.228 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N2C[C@@H](C)[C@@H]2c2ccccc2)n1 ZINC000248722408 301374414 /nfs/dbraw/zinc/37/44/14/301374414.db2.gz HAXSNTSIQGCFSY-PVXIVEMSSA-N -1 3 283.375 3.245 20 0 CGADHM Cc1ccc(C(=O)N2CC(C)=C[C@H](C)C2)c([O-])c1C ZINC000436999283 301496024 /nfs/dbraw/zinc/49/60/24/301496024.db2.gz KLFRJCFGVWXRGY-JTQLQIEISA-N -1 3 259.349 3.047 20 0 CGADHM Cc1ccc(C(=O)Nc2c(C)cccc2[O-])cc1F ZINC000179561636 327802463 /nfs/dbraw/zinc/80/24/63/327802463.db2.gz ZAPVLOMGOSAMML-UHFFFAOYSA-N -1 3 259.280 3.400 20 0 CGADHM CCCSCC(=O)Nc1c([O-])cccc1Cl ZINC000582138421 328120134 /nfs/dbraw/zinc/12/01/34/328120134.db2.gz NFAHIWXDSOCCDN-UHFFFAOYSA-N -1 3 259.758 3.127 20 0 CGADHM O=C(Nc1ccccc1[O-])c1cccc(Cl)c1F ZINC000159574725 321836622 /nfs/dbraw/zinc/83/66/22/321836622.db2.gz DTKPABPJFXWXQU-UHFFFAOYSA-N -1 3 265.671 3.437 20 0 CGADHM CC(C)COC1CCN(Cc2ccc(C(=O)[O-])s2)CC1 ZINC000563630707 322004693 /nfs/dbraw/zinc/00/46/93/322004693.db2.gz MJEABVZNHUKOOW-UHFFFAOYSA-N -1 3 297.420 3.083 20 0 CGADHM O=C(Cc1cncc([O-])c1)N1CCCC[C@H]1c1ccccc1 ZINC000565211479 322066396 /nfs/dbraw/zinc/06/63/96/322066396.db2.gz CAZKUKFKDVBCKR-KRWDZBQOSA-N -1 3 296.370 3.084 20 0 CGADHM O=C([O-])CN(Cc1cc(Cl)ccc1Cl)C1CCC1 ZINC000565220301 322067465 /nfs/dbraw/zinc/06/74/65/322067465.db2.gz CQTQCDLELDRKOT-UHFFFAOYSA-N -1 3 288.174 3.433 20 0 CGADHM CN(CCc1ccc(Cl)cc1)Cc1ncccc1[O-] ZINC000565272779 322071158 /nfs/dbraw/zinc/07/11/58/322071158.db2.gz XTEQEULEEOQKPX-UHFFFAOYSA-N -1 3 276.767 3.115 20 0 CGADHM C[C@H](CN(C)Cc1cccc(C(=O)[O-])c1)c1nccs1 ZINC000566015275 322101080 /nfs/dbraw/zinc/10/10/80/322101080.db2.gz QABUZVMUIPMUJP-LLVKDONJSA-N -1 3 290.388 3.077 20 0 CGADHM CC(C)c1cccc(N(C)C(=O)[N-]c2cnns2)c1 ZINC000566924794 322143574 /nfs/dbraw/zinc/14/35/74/322143574.db2.gz YBQQDUDDKPAQGE-UHFFFAOYSA-N -1 3 276.365 3.330 20 0 CGADHM CC[C@@]1(C(C)C)C[C@H]1NC(=O)c1c[n-]nc1-c1ccccn1 ZINC000567021686 322147124 /nfs/dbraw/zinc/14/71/24/322147124.db2.gz YXSISKWYVXBWEK-PBHICJAKSA-N -1 3 298.390 3.026 20 0 CGADHM O=C([O-])c1ccoc1CN1CCC[C@]2(CC=CCC2)C1 ZINC000567055340 322148514 /nfs/dbraw/zinc/14/85/14/322148514.db2.gz WTXKUTBIPDEUDE-MRXNPFEDSA-N -1 3 275.348 3.300 20 0 CGADHM CCC[C@@H](C)C[C@@H](NCc1ccc(OC)cc1F)C(=O)[O-] ZINC000567986616 322186914 /nfs/dbraw/zinc/18/69/14/322186914.db2.gz YXYLLCCLWLEHBH-IAQYHMDHSA-N -1 3 297.370 3.203 20 0 CGADHM CC(C)Oc1ccccc1CN1CCC[C@@](C)(C(=O)[O-])C1 ZINC000568058773 322189829 /nfs/dbraw/zinc/18/98/29/322189829.db2.gz CORPPDIHUJYSLI-QGZVFWFLSA-N -1 3 291.391 3.161 20 0 CGADHM CN(Cc1ccc(C(=O)[O-])o1)[C@@H]1CCCc2ccccc21 ZINC000568061393 322190732 /nfs/dbraw/zinc/19/07/32/322190732.db2.gz DWXSQLBJXLAMRG-OAHLLOKOSA-N -1 3 285.343 3.487 20 0 CGADHM O=C([O-])c1ccc(CN2CCS[C@H]3CCCC[C@H]32)s1 ZINC000568067325 322191449 /nfs/dbraw/zinc/19/14/49/322191449.db2.gz RPKSJLYAALQBTQ-NEPJUHHUSA-N -1 3 297.445 3.306 20 0 CGADHM O=C([O-])c1ccc(CN2CCS[C@H]3CCCC[C@@H]32)s1 ZINC000568067327 322191536 /nfs/dbraw/zinc/19/15/36/322191536.db2.gz RPKSJLYAALQBTQ-RYUDHWBXSA-N -1 3 297.445 3.306 20 0 CGADHM C[C@@H]1CN(Cc2ccccc2C(=O)[O-])Cc2ccccc2O1 ZINC000568783131 322222577 /nfs/dbraw/zinc/22/25/77/322222577.db2.gz NRIZTLKTLNWHQO-CYBMUJFWSA-N -1 3 297.354 3.168 20 0 CGADHM O=C(NCCC1=CCCCC1)c1c[n-]nc1-c1ccccn1 ZINC000569627556 322252762 /nfs/dbraw/zinc/25/27/62/322252762.db2.gz QTZYIVHNUWCLPU-UHFFFAOYSA-N -1 3 296.374 3.092 20 0 CGADHM CC(C)c1csc([N-]C(=O)c2snnc2C2CC2)n1 ZINC000570012328 322262952 /nfs/dbraw/zinc/26/29/52/322262952.db2.gz VVMLHEQLVYKPRR-UHFFFAOYSA-N -1 3 294.405 3.248 20 0 CGADHM CC1(C)CCC[C@H]1c1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000570141981 322265945 /nfs/dbraw/zinc/26/59/45/322265945.db2.gz XMUFWJBWURPNIF-JTQLQIEISA-N -1 3 283.335 3.302 20 0 CGADHM Cc1n[nH]c(C)c1[C@@H](C)C(=O)Nc1c([O-])cccc1Cl ZINC000570409554 322272766 /nfs/dbraw/zinc/27/27/66/322272766.db2.gz BRFKWGRJONFABQ-SSDOTTSWSA-N -1 3 293.754 3.128 20 0 CGADHM O=C(NCc1ccc([O-])c(F)c1)[C@@H]1CCCC[C@@H]1C1CC1 ZINC000571447219 322298827 /nfs/dbraw/zinc/29/88/27/322298827.db2.gz QBWXUNSWRYKQAN-ZIAGYGMSSA-N -1 3 291.366 3.364 20 0 CGADHM CCCN(Cc1ccc(F)cc1)Cc1ncccc1[O-] ZINC000572562911 322343996 /nfs/dbraw/zinc/34/39/96/322343996.db2.gz GQBNNUWEVMDSMG-UHFFFAOYSA-N -1 3 274.339 3.339 20 0 CGADHM CN(C(=O)c1ccc2c(c1[O-])CCCC2)C(C)(C)C ZINC000573567961 322394896 /nfs/dbraw/zinc/39/48/96/322394896.db2.gz MLLMYXYUCSQBOK-UHFFFAOYSA-N -1 3 261.365 3.142 20 0 CGADHM O=C([O-])C1(NCc2ccc(Cl)o2)CCC(F)(F)CC1 ZINC000575763333 322488354 /nfs/dbraw/zinc/48/83/54/322488354.db2.gz QXDUQCZWTYVCLP-UHFFFAOYSA-N -1 3 293.697 3.055 20 0 CGADHM COc1ccc([C@H](C)N(C)Cc2ccc(C(=O)[O-])o2)cc1 ZINC000582551488 329106173 /nfs/dbraw/zinc/10/61/73/329106173.db2.gz HYUFPQKXWSRJMY-NSHDSACASA-N -1 3 289.331 3.179 20 0 CGADHM C[C@@H]1CC[C@H](C(=O)[O-])CN1Cc1cccc(C(F)F)c1 ZINC000397097301 329327767 /nfs/dbraw/zinc/32/77/67/329327767.db2.gz MTKLSXXJMVYUOB-MFKMUULPSA-N -1 3 283.318 3.309 20 0 CGADHM CC[C@H](C)[C@H](N)C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000232398753 329385335 /nfs/dbraw/zinc/38/53/35/329385335.db2.gz FQCLTNVSKHYUBR-WKEGUHRASA-N -1 3 291.178 3.011 20 0 CGADHM CC(C)c1nnc(C(=O)[N-]c2scnc2C(C)C)s1 ZINC000583247339 329396247 /nfs/dbraw/zinc/39/62/47/329396247.db2.gz BCZRECOVQCSMKY-UHFFFAOYSA-N -1 3 296.421 3.494 20 0 CGADHM C[C@@H]1CCN(C/C=C\c2ccc(F)c(F)c2)C[C@@H]1C(=O)[O-] ZINC000580445335 330139431 /nfs/dbraw/zinc/13/94/31/330139431.db2.gz SVRZLIBEXNSYTJ-FIFDWTMUSA-N -1 3 295.329 3.021 20 0 CGADHM O=C([O-])CCN(CCC1CC1)Cc1cccc(F)c1F ZINC000576405060 335199733 /nfs/dbraw/zinc/19/97/33/335199733.db2.gz BTGJYCHQCNCMNH-UHFFFAOYSA-N -1 3 283.318 3.042 20 0 CGADHM O=C([O-])CN(Cc1ccccc1)Cc1ccc(F)c(F)c1 ZINC000576691815 335235258 /nfs/dbraw/zinc/23/52/58/335235258.db2.gz HPJFCJYWNCCFAD-UHFFFAOYSA-N -1 3 291.297 3.052 20 0 CGADHM CCC(CC)CN(CC)C(=O)N=c1cc2ccccn2[n-]1 ZINC000580590858 335294123 /nfs/dbraw/zinc/29/41/23/335294123.db2.gz LEKFUJGHNPXEGM-UHFFFAOYSA-N -1 3 288.395 3.046 20 0 CGADHM CC(=O)c1cccc(NC(=O)[C@@H]2CC=CC[C@H]2C)c1[O-] ZINC000577183012 335318267 /nfs/dbraw/zinc/31/82/67/335318267.db2.gz ZIDQOYFIIRKBSZ-ZYHUDNBSSA-N -1 3 273.332 3.136 20 0 CGADHM Cc1cccc([O-])c1NC(=O)c1ccc(Cl)o1 ZINC000179544032 335499974 /nfs/dbraw/zinc/49/99/74/335499974.db2.gz VJMVRKQVPNNFIB-UHFFFAOYSA-N -1 3 251.669 3.199 20 0 CGADHM Cc1ccc(CS(=O)(=O)[N-]c2c(C)cccc2F)cc1 ZINC000578672483 335662435 /nfs/dbraw/zinc/66/24/35/335662435.db2.gz HTFBZHMSIFVWIT-UHFFFAOYSA-N -1 3 293.363 3.384 20 0 CGADHM O=C(CCc1cncc(F)c1)Nc1cc(Cl)ccc1[O-] ZINC000181693192 335778838 /nfs/dbraw/zinc/77/88/38/335778838.db2.gz UPBQZLWXBFTQSM-UHFFFAOYSA-N -1 3 294.713 3.151 20 0 CGADHM C[C@@H](CCCCC(=O)[O-])NCc1ccc(F)cc1F ZINC000581286876 336036889 /nfs/dbraw/zinc/03/68/89/336036889.db2.gz FJZOJOPWYKSZDU-JTQLQIEISA-N -1 3 271.307 3.088 20 0 CGADHM Cc1oc(CN2CCS[C@H]3CCCC[C@H]32)cc1C(=O)[O-] ZINC000581553722 336101728 /nfs/dbraw/zinc/10/17/28/336101728.db2.gz BRKSNWXVKMNRQQ-KGLIPLIRSA-N -1 3 295.404 3.146 20 0 CGADHM C[C@@H]1CCC[C@H](CNC(=O)c2cccc([O-])c2)[C@H]1C ZINC000435927690 533856862 /nfs/dbraw/zinc/85/68/62/533856862.db2.gz CYMSXSPGSHKTAB-MBNYWOFBSA-N -1 3 261.365 3.194 20 0 CGADHM Cc1ccc(C(=O)NC[C@H](C)CC(F)(F)F)c([O-])c1C ZINC000412656215 534268236 /nfs/dbraw/zinc/26/82/36/534268236.db2.gz MOVWFHMIDGQTEH-MRVPVSSYSA-N -1 3 289.297 3.327 20 0 CGADHM O=C(Nc1cccc(CO)c1)c1cc2c(cc1[O-])CCCC2 ZINC000436758571 534340388 /nfs/dbraw/zinc/34/03/88/534340388.db2.gz YZZNKSSTUMFGMA-UHFFFAOYSA-N -1 3 297.354 3.016 20 0 CGADHM Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1cc(C)ccc1[O-] ZINC000436671824 534415667 /nfs/dbraw/zinc/41/56/67/534415667.db2.gz AXVOJXDDLZNYLN-INIZCTEOSA-N -1 3 281.355 3.426 20 0 CGADHM Cc1noc([N-]C(=O)COc2cccc(C(C)C)c2)c1C ZINC000358323633 534429332 /nfs/dbraw/zinc/42/93/32/534429332.db2.gz WXIGTCYAXNKNAC-UHFFFAOYSA-N -1 3 288.347 3.432 20 0 CGADHM O=C([O-])[C@H](NCc1cccc2cc[nH]c21)c1ccccc1F ZINC000426796285 534531817 /nfs/dbraw/zinc/53/18/17/534531817.db2.gz BLDMHHSHPUTAIT-MRXNPFEDSA-N -1 3 298.317 3.223 20 0 CGADHM Cc1cccc(-c2nc(-c3ccc(N(C)C)cc3)no2)c1[O-] ZINC000436894854 534553872 /nfs/dbraw/zinc/55/38/72/534553872.db2.gz UYGNOCLGAOSYSG-UHFFFAOYSA-N -1 3 295.342 3.484 20 0 CGADHM Cc1cccc(C(=O)N2C[C@H](C)Oc3ccccc32)c1[O-] ZINC000436542063 534598873 /nfs/dbraw/zinc/59/88/73/534598873.db2.gz CIMVNIYFVYHGCX-LBPRGKRZSA-N -1 3 283.327 3.128 20 0 CGADHM Cc1cccc(C(=O)NCCC2C[C@H](C)O[C@@H](C)C2)c1[O-] ZINC000436699968 534601752 /nfs/dbraw/zinc/60/17/52/534601752.db2.gz SGPVXXLVYFETFK-STQMWFEESA-N -1 3 291.391 3.024 20 0 CGADHM Cc1cccc(C(=O)NCc2ccc3ccccc3n2)c1[O-] ZINC000436529584 534610974 /nfs/dbraw/zinc/61/09/74/534610974.db2.gz SGBSIXUVYNPQHA-UHFFFAOYSA-N -1 3 292.338 3.179 20 0 CGADHM CC[C@]1(C)CCCN(C(=O)c2c[n-]c3ccccc3c2=O)C1 ZINC000081320916 523556703 /nfs/dbraw/zinc/55/67/03/523556703.db2.gz BGVVCCNSGVRXJG-GOSISDBHSA-N -1 3 298.386 3.180 20 0 CGADHM Cc1cc(C)cc(C[S@@](=O)c2ccc([O-])cc2)c1 ZINC000108083003 524399208 /nfs/dbraw/zinc/39/92/08/524399208.db2.gz JKFPRHHSPBFBEI-SFHVURJKSA-N -1 3 260.358 3.317 20 0 CGADHM O=S(=O)(CCC1CC1)[N-]c1ccccc1C(F)F ZINC000424091587 534858154 /nfs/dbraw/zinc/85/81/54/534858154.db2.gz ZVKMRFOZYFGEHP-UHFFFAOYSA-N -1 3 275.320 3.166 20 0 CGADHM [O-]c1cccc(CN[C@H]2CCO[C@H](C3CC3)C2)c1Cl ZINC000339352278 526361736 /nfs/dbraw/zinc/36/17/36/526361736.db2.gz LLOBEWRAYLROAS-JSGCOSHPSA-N -1 3 281.783 3.093 20 0 CGADHM Cc1csc(CO[N-]C(=O)CCC2CCCCC2)n1 ZINC000088520345 526364322 /nfs/dbraw/zinc/36/43/22/526364322.db2.gz ZCALHQJDQUQLKN-UHFFFAOYSA-N -1 3 282.409 3.360 20 0 CGADHM CC(C)(CNC(=O)c1ccc(O)cc1[O-])Cc1ccccc1 ZINC000436626593 527163479 /nfs/dbraw/zinc/16/34/79/527163479.db2.gz PMWXKWSQPXJDJO-UHFFFAOYSA-N -1 3 299.370 3.097 20 0 CGADHM CC(=O)c1ccc(C(=O)N[C@@H]2CC[C@@H](C)[C@H](C)C2)cc1[O-] ZINC000412242776 527262645 /nfs/dbraw/zinc/26/26/45/527262645.db2.gz ADFVGWQCQJVLED-JTNHKYCSSA-N -1 3 289.375 3.149 20 0 CGADHM CC(=O)c1ccc(C(=O)[N-]c2c(C)noc2C2CC2)s1 ZINC000361944775 527267237 /nfs/dbraw/zinc/26/72/37/527267237.db2.gz AYNHJSAWOCKBRL-UHFFFAOYSA-N -1 3 290.344 3.377 20 0 CGADHM CC(C)CC1(CNC(=O)c2c([O-])cccc2O)CCC1 ZINC000436647109 527694863 /nfs/dbraw/zinc/69/48/63/527694863.db2.gz KHJUVIYKFDUTRL-UHFFFAOYSA-N -1 3 277.364 3.044 20 0 CGADHM CC(C)NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436748122 527717358 /nfs/dbraw/zinc/71/73/58/527717358.db2.gz QFWKYYZBVAVCIV-UHFFFAOYSA-N -1 3 271.316 3.323 20 0 CGADHM CCO[C@@H](CCNC(=O)c1cc(CC)ccc1[O-])C(C)C ZINC000436842044 527728079 /nfs/dbraw/zinc/72/80/79/527728079.db2.gz WOADDSNZEKYWRK-INIZCTEOSA-N -1 3 293.407 3.136 20 0 CGADHM CC1(C)Cc2ccc(C(=O)Nc3ccccc3)c([O-])c2O1 ZINC000436775879 527775465 /nfs/dbraw/zinc/77/54/65/527775465.db2.gz SCDIJFXQOYHFDB-UHFFFAOYSA-N -1 3 283.327 3.358 20 0 CGADHM CC(C)CN(Cc1ccccc1)C(=O)c1ccc(O)cc1[O-] ZINC000436943087 527948405 /nfs/dbraw/zinc/94/84/05/527948405.db2.gz YGPNRLBXZYZAMJ-UHFFFAOYSA-N -1 3 299.370 3.396 20 0 CGADHM CC(C)c1ccc(C(=O)N2CCOC(C)(C)[C@@H]2C)c([O-])c1 ZINC000436597907 528063551 /nfs/dbraw/zinc/06/35/51/528063551.db2.gz RSBIADSZFGKMKC-LBPRGKRZSA-N -1 3 291.391 3.155 20 0 CGADHM CC(C)c1ccc(C(=O)N2CCS[C@@H](C)[C@H]2C)c([O-])c1 ZINC000436528175 528065593 /nfs/dbraw/zinc/06/55/93/528065593.db2.gz KMEHMXBATNYIEW-NEPJUHHUSA-N -1 3 293.432 3.482 20 0 CGADHM CC(C)c1ccc(C(=O)NCC(C)(C)C[C@@H](C)O)c([O-])c1 ZINC000436578883 528068431 /nfs/dbraw/zinc/06/84/31/528068431.db2.gz YAXGVYHEIAOINE-GFCCVEGCSA-N -1 3 293.407 3.043 20 0 CGADHM CC(C)c1ccc(C(=O)NCCCOCC2CC2)c([O-])c1 ZINC000436634401 528069237 /nfs/dbraw/zinc/06/92/37/528069237.db2.gz KRQRITAITMFHAW-UHFFFAOYSA-N -1 3 291.391 3.062 20 0 CGADHM CCCN(Cc1ccccc1)C(=O)c1ccc([O-])c(OC)c1 ZINC000436637585 528146115 /nfs/dbraw/zinc/14/61/15/528146115.db2.gz ZSFRBNUFIGFGRV-UHFFFAOYSA-N -1 3 299.370 3.453 20 0 CGADHM CC(C)c1cccc(C(=O)Nc2cc(F)ccc2[O-])n1 ZINC000436801211 528160246 /nfs/dbraw/zinc/16/02/46/528160246.db2.gz QTADGCVSRJRNES-UHFFFAOYSA-N -1 3 274.295 3.302 20 0 CGADHM CCCCCn1nc(C)cc1NC(=O)c1cccc([O-])c1 ZINC000357309461 528296109 /nfs/dbraw/zinc/29/61/09/528296109.db2.gz RBPAHMPVRKONEV-UHFFFAOYSA-N -1 3 287.363 3.340 20 0 CGADHM CC(C)[C@@H](C(=O)Nc1ccc([O-])cc1F)c1ccncc1 ZINC000355928191 528372235 /nfs/dbraw/zinc/37/22/35/528372235.db2.gz OXLJHVABUAPCPA-OAHLLOKOSA-N -1 3 288.322 3.305 20 0 CGADHM CCC(C)(C)CC(=O)Nc1nnc(-c2ccc(C)o2)[n-]1 ZINC000359014581 528499756 /nfs/dbraw/zinc/49/97/56/528499756.db2.gz BKKUJSUNTUGLGL-UHFFFAOYSA-N -1 3 276.340 3.138 20 0 CGADHM CCC(C)(C)CC(=O)Nc1nc(-c2ccc(C)o2)n[n-]1 ZINC000359014581 528499764 /nfs/dbraw/zinc/49/97/64/528499764.db2.gz BKKUJSUNTUGLGL-UHFFFAOYSA-N -1 3 276.340 3.138 20 0 CGADHM CCC(C)(C)CC(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC000359014581 528499770 /nfs/dbraw/zinc/49/97/70/528499770.db2.gz BKKUJSUNTUGLGL-UHFFFAOYSA-N -1 3 276.340 3.138 20 0 CGADHM CCCCOC1CCN(C(=O)c2ccc([O-])c(C)c2)CC1 ZINC000436939613 528569444 /nfs/dbraw/zinc/56/94/44/528569444.db2.gz PIILAINUWQGPAY-UHFFFAOYSA-N -1 3 291.391 3.122 20 0 CGADHM CCCCOc1ccc(C(=O)NC[C@H](C)SC)c([O-])c1 ZINC000436985868 528665132 /nfs/dbraw/zinc/66/51/32/528665132.db2.gz IKULNLFYYNNZHN-NSHDSACASA-N -1 3 297.420 3.052 20 0 CGADHM CCN(C(=O)Cc1ccc([O-])c(F)c1)C1CC(C)(C)C1 ZINC000412815476 528976451 /nfs/dbraw/zinc/97/64/51/528976451.db2.gz VERBEXUEQWQTOO-UHFFFAOYSA-N -1 3 279.355 3.111 20 0 CGADHM CCN(C(=O)c1cc(C)ccc1[O-])C1CC(C)(C)C1 ZINC000413981374 529070657 /nfs/dbraw/zinc/07/06/57/529070657.db2.gz AMWWEMSXVYGINY-UHFFFAOYSA-N -1 3 261.365 3.351 20 0 CGADHM CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000411400771 529207194 /nfs/dbraw/zinc/20/71/94/529207194.db2.gz OQNLGQGUAMFVDD-WFASDCNBSA-N -1 3 289.375 3.293 20 0 CGADHM CCS[C@H]1CCCC[C@H]1NC(=O)c1ccc([O-])c(C)c1 ZINC000436924395 529227664 /nfs/dbraw/zinc/22/76/64/529227664.db2.gz GRSKVSYPSRAZFX-HIFRSBDPSA-N -1 3 293.432 3.495 20 0 CGADHM CC[C@H](CC(F)(F)F)NC(=O)c1ccc(C)cc1[O-] ZINC000436980486 529316088 /nfs/dbraw/zinc/31/60/88/529316088.db2.gz NVBKEHANZVRBNS-SECBINFHSA-N -1 3 275.270 3.161 20 0 CGADHM CCC(CC)c1cc(C(=O)[N-]c2nccs2)on1 ZINC000128278816 535156322 /nfs/dbraw/zinc/15/63/22/535156322.db2.gz YVWYSHMXGKPCDS-UHFFFAOYSA-N -1 3 265.338 3.287 20 0 CGADHM CCN(Cc1ccccc1C)C(=O)/C=C\c1cncc([O-])c1 ZINC000493861416 535789131 /nfs/dbraw/zinc/78/91/31/535789131.db2.gz TUPXKINMBIWYSA-HJWRWDBZSA-N -1 3 296.370 3.158 20 0 CGADHM COc1ccc(NC(=O)/C=C\C2CCCC2)c([O-])c1 ZINC000493540990 536714947 /nfs/dbraw/zinc/71/49/47/536714947.db2.gz BEHDFVVHTSRYDO-TWGQIWQCSA-N -1 3 261.321 3.086 20 0 CGADHM COc1ccc(NC(=O)C2(C(F)(F)F)CCC2)c([O-])c1 ZINC000451026773 571717888 /nfs/dbraw/zinc/71/78/88/571717888.db2.gz OHNWUWWMTBQHEP-UHFFFAOYSA-N -1 3 289.253 3.072 20 0 CGADHM O=C([N-]OCc1cccc(F)c1)c1c(F)cccc1Cl ZINC000728911757 571847435 /nfs/dbraw/zinc/84/74/35/571847435.db2.gz IZENQEUIEAMQRC-UHFFFAOYSA-N -1 3 297.688 3.480 20 0 CGADHM Cc1cc(C(=O)[N-]c2cc(-c3ccccc3F)no2)on1 ZINC000729269994 571894083 /nfs/dbraw/zinc/89/40/83/571894083.db2.gz BWLPFHWLOGQWTM-UHFFFAOYSA-N -1 3 287.250 3.029 20 0 CGADHM O=C([N-][C@H]1CCCC[C@H]1Cc1ccccc1)C(F)(F)F ZINC000729370635 571902514 /nfs/dbraw/zinc/90/25/14/571902514.db2.gz BKGOJNFYKZAMEQ-STQMWFEESA-N -1 3 285.309 3.466 20 0 CGADHM Cc1ccc(C)c(OCc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000737327308 572337408 /nfs/dbraw/zinc/33/74/08/572337408.db2.gz YXLNGEUXQPMZEQ-UHFFFAOYSA-N -1 3 298.321 3.202 20 0 CGADHM Cc1ccc(C)c(OCc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000737327308 572337409 /nfs/dbraw/zinc/33/74/09/572337409.db2.gz YXLNGEUXQPMZEQ-UHFFFAOYSA-N -1 3 298.321 3.202 20 0 CGADHM Cc1ccc(NCc2ccc(-c3nnn[n-]3)cc2)c(C)c1 ZINC000737361553 572338540 /nfs/dbraw/zinc/33/85/40/572338540.db2.gz JCJLBGLXTARKBM-UHFFFAOYSA-N -1 3 279.347 3.096 20 0 CGADHM Cc1ccc(NCc2ccc(-c3nn[n-]n3)cc2)c(C)c1 ZINC000737361553 572338543 /nfs/dbraw/zinc/33/85/43/572338543.db2.gz JCJLBGLXTARKBM-UHFFFAOYSA-N -1 3 279.347 3.096 20 0 CGADHM Clc1ccc(NC[C@@H]2CC=CCC2)c(-c2nnn[n-]2)c1 ZINC000737576184 572349496 /nfs/dbraw/zinc/34/94/96/572349496.db2.gz XOCVNJOLORYDJV-SNVBAGLBSA-N -1 3 289.770 3.288 20 0 CGADHM Clc1ccc(NC[C@@H]2CC=CCC2)c(-c2nn[n-]n2)c1 ZINC000737576184 572349500 /nfs/dbraw/zinc/34/95/00/572349500.db2.gz XOCVNJOLORYDJV-SNVBAGLBSA-N -1 3 289.770 3.288 20 0 CGADHM C[C@H](c1ccc(F)cc1)N1CCC([C@H](C)NC(=O)[O-])CC1 ZINC000739030230 572408393 /nfs/dbraw/zinc/40/83/93/572408393.db2.gz YREYUPITSANNKO-NWDGAFQWSA-N -1 3 294.370 3.255 20 0 CGADHM CC1(C)[C@H](OC(=O)c2cc3ccsc3[n-]2)[C@H]2CCO[C@H]21 ZINC000739368508 572412191 /nfs/dbraw/zinc/41/21/91/572412191.db2.gz ZLIGRZVILGBAAF-MVWJERBFSA-N -1 3 291.372 3.200 20 0 CGADHM CCc1cc([N-]C(=O)c2nc(Cl)ccc2Cl)no1 ZINC000739826837 572424954 /nfs/dbraw/zinc/42/49/54/572424954.db2.gz JAADBNCSBOJTQO-UHFFFAOYSA-N -1 3 286.118 3.191 20 0 CGADHM Cc1cc(N2CC[C@@H](NC(=O)[O-])[C@@H](C)C2)c2ccccc2n1 ZINC000740078820 572431233 /nfs/dbraw/zinc/43/12/33/572431233.db2.gz VUQGPHIQCMMZHK-SMDDNHRTSA-N -1 3 299.374 3.026 20 0 CGADHM O=C([O-])c1ccc(CNC2(c3ccc(F)cc3)CC2)cc1 ZINC000740130852 572433870 /nfs/dbraw/zinc/43/38/70/572433870.db2.gz UQUGAIBCXJDEDG-UHFFFAOYSA-N -1 3 285.318 3.303 20 0 CGADHM O=C([O-])N[C@H]1CCN(C2c3ccccc3-c3ccccc32)C1 ZINC000740596371 572448253 /nfs/dbraw/zinc/44/82/53/572448253.db2.gz XOVGGODZSOMVDY-LBPRGKRZSA-N -1 3 294.354 3.098 20 0 CGADHM CC(C)(C)C(=O)[N-]OCc1coc(-c2cccc(F)c2)n1 ZINC000732806098 572484695 /nfs/dbraw/zinc/48/46/95/572484695.db2.gz UXMSEEFHLSRSBS-UHFFFAOYSA-N -1 3 292.310 3.075 20 0 CGADHM COc1cccc([C@@H](CC(=O)[O-])NCc2ccc(C)cc2)c1 ZINC000205135378 572510794 /nfs/dbraw/zinc/51/07/94/572510794.db2.gz ZMXRKDIDFPFZCM-QGZVFWFLSA-N -1 3 299.370 3.309 20 0 CGADHM CC(C)Oc1ccccc1C=Cc1nccc(=O)[n-]1 ZINC000742219782 572559145 /nfs/dbraw/zinc/55/91/45/572559145.db2.gz FBGHGJNMPWRGOD-BQYQJAHWSA-N -1 3 256.305 3.140 20 0 CGADHM CC(C)OCCCOC(=O)c1cc2ccsc2[n-]1 ZINC000733407126 572565606 /nfs/dbraw/zinc/56/56/06/572565606.db2.gz JXNZZWAOULIITE-UHFFFAOYSA-N -1 3 267.350 3.201 20 0 CGADHM O=C([N-]c1cc(Cl)ccn1)c1scnc1Cl ZINC000733955498 572621229 /nfs/dbraw/zinc/62/12/29/572621229.db2.gz SVKWSPRIEBTSBX-UHFFFAOYSA-N -1 3 274.132 3.097 20 0 CGADHM O=C(OCCc1ccc2ccccc2c1)c1cncc([O-])c1 ZINC000734035339 572624874 /nfs/dbraw/zinc/62/48/74/572624874.db2.gz LPYRITNNCDFBCA-UHFFFAOYSA-N -1 3 293.322 3.340 20 0 CGADHM Cc1cccc(C(=O)NCc2c(C)cccc2F)c1[O-] ZINC000743721595 572681370 /nfs/dbraw/zinc/68/13/70/572681370.db2.gz INSXRQBWXOBNRW-UHFFFAOYSA-N -1 3 273.307 3.078 20 0 CGADHM O=C([N-]c1nc(C2CC2)no1)c1cc2sccc2s1 ZINC000734877135 572690055 /nfs/dbraw/zinc/69/00/55/572690055.db2.gz WSFOZKFQCRVFRG-UHFFFAOYSA-N -1 3 291.357 3.476 20 0 CGADHM CC(C)(C)CCCNc1ccc(-c2nnn[n-]2)cc1 ZINC000735602943 572732729 /nfs/dbraw/zinc/73/27/29/572732729.db2.gz SMYRRUKUBJNAJM-UHFFFAOYSA-N -1 3 259.357 3.105 20 0 CGADHM CC(C)(C)CCCNc1ccc(-c2nn[n-]n2)cc1 ZINC000735602943 572732734 /nfs/dbraw/zinc/73/27/34/572732734.db2.gz SMYRRUKUBJNAJM-UHFFFAOYSA-N -1 3 259.357 3.105 20 0 CGADHM CC(C)CCSc1ccc(-c2nnn[n-]2)cc1F ZINC000735818778 572742754 /nfs/dbraw/zinc/74/27/54/572742754.db2.gz DYZDFJPXATUEMW-UHFFFAOYSA-N -1 3 266.345 3.144 20 0 CGADHM CC(C)CCSc1ccc(-c2nn[n-]n2)cc1F ZINC000735818778 572742757 /nfs/dbraw/zinc/74/27/57/572742757.db2.gz DYZDFJPXATUEMW-UHFFFAOYSA-N -1 3 266.345 3.144 20 0 CGADHM C[C@H](Sc1ccc(O)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736189317 572771477 /nfs/dbraw/zinc/77/14/77/572771477.db2.gz BRGAHFULABMWTC-JTQLQIEISA-N -1 3 298.371 3.426 20 0 CGADHM C[C@H](Sc1ccc(O)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736189317 572771482 /nfs/dbraw/zinc/77/14/82/572771482.db2.gz BRGAHFULABMWTC-JTQLQIEISA-N -1 3 298.371 3.426 20 0 CGADHM C[C@@H]1C[C@H](C)CN(c2cc(Cl)ccc2-c2nnn[n-]2)C1 ZINC000736226119 572773374 /nfs/dbraw/zinc/77/33/74/572773374.db2.gz FVYFDNNXQXEASZ-AOOOYVTPSA-N -1 3 291.786 3.002 20 0 CGADHM C[C@@H]1C[C@H](C)CN(c2cc(Cl)ccc2-c2nn[n-]n2)C1 ZINC000736226119 572773377 /nfs/dbraw/zinc/77/33/77/572773377.db2.gz FVYFDNNXQXEASZ-AOOOYVTPSA-N -1 3 291.786 3.002 20 0 CGADHM C[C@H]1CCC[C@@H]1Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736258848 572777360 /nfs/dbraw/zinc/77/73/60/572777360.db2.gz BRDJULLFOQRPLB-UFBFGSQYSA-N -1 3 277.759 3.121 20 0 CGADHM C[C@H]1CCC[C@@H]1Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736258848 572777363 /nfs/dbraw/zinc/77/73/63/572777363.db2.gz BRDJULLFOQRPLB-UFBFGSQYSA-N -1 3 277.759 3.121 20 0 CGADHM C[C@@H]1CCC[C@H](N(C)c2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000736254280 572777498 /nfs/dbraw/zinc/77/74/98/572777498.db2.gz YEPONBPZYDWLCM-PWSUYJOCSA-N -1 3 289.358 3.021 20 0 CGADHM C[C@@H]1CCC[C@H](N(C)c2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000736254280 572777502 /nfs/dbraw/zinc/77/75/02/572777502.db2.gz YEPONBPZYDWLCM-PWSUYJOCSA-N -1 3 289.358 3.021 20 0 CGADHM C[C@@H]1CCC[C@@H]1Nc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000736263383 572777942 /nfs/dbraw/zinc/77/79/42/572777942.db2.gz PUKGOYWWALXSFS-KCJUWKMLSA-N -1 3 277.759 3.121 20 0 CGADHM C[C@@H]1CCC[C@@H]1Nc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000736263383 572777946 /nfs/dbraw/zinc/77/79/46/572777946.db2.gz PUKGOYWWALXSFS-KCJUWKMLSA-N -1 3 277.759 3.121 20 0 CGADHM CCCCN(C)c1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC000736453627 572793656 /nfs/dbraw/zinc/79/36/56/572793656.db2.gz RQPFHBYASWAXJG-UHFFFAOYSA-N -1 3 299.300 3.122 20 0 CGADHM CCCCN(C)c1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000736453627 572793660 /nfs/dbraw/zinc/79/36/60/572793660.db2.gz RQPFHBYASWAXJG-UHFFFAOYSA-N -1 3 299.300 3.122 20 0 CGADHM C[C@@H](c1ccc(C(=O)[O-])o1)N(C)CCc1ccccc1F ZINC000736715388 572806250 /nfs/dbraw/zinc/80/62/50/572806250.db2.gz SASCJZFUCHZNER-NSHDSACASA-N -1 3 291.322 3.352 20 0 CGADHM Cc1cc(C)c(-c2nnn[n-]2)c(S[C@H]2C=CCCC2)n1 ZINC000737239565 572866777 /nfs/dbraw/zinc/86/67/77/572866777.db2.gz DLZZZKHYOUKVRM-NSHDSACASA-N -1 3 287.392 3.079 20 0 CGADHM Cc1cc(C)c(-c2nn[n-]n2)c(S[C@H]2C=CCCC2)n1 ZINC000737239565 572866781 /nfs/dbraw/zinc/86/67/81/572866781.db2.gz DLZZZKHYOUKVRM-NSHDSACASA-N -1 3 287.392 3.079 20 0 CGADHM O=C1[N-]C(=O)/C(=C\C=C/c2ccccc2)c2ccccc21 ZINC000746683582 572891390 /nfs/dbraw/zinc/89/13/90/572891390.db2.gz DNIJQGZPEXFXBR-AMHMVXRNSA-N -1 3 275.307 3.053 20 0 CGADHM O=C([N-][C@@H]1CC[C@H]2CCCC[C@@H]2C1)C(F)(F)C(F)F ZINC000749339594 572992376 /nfs/dbraw/zinc/99/23/76/572992376.db2.gz FWOUXKDFTKDRGJ-OPRDCNLKSA-N -1 3 281.293 3.362 20 0 CGADHM O=c1[n-]c(Oc2ccc(F)c(F)c2)nc2ccccc21 ZINC000750530583 573146276 /nfs/dbraw/zinc/14/62/76/573146276.db2.gz NHPGZMNSYXAATC-UHFFFAOYSA-N -1 3 274.226 3.406 20 0 CGADHM C[C@@H]1CCC[C@H](C)CN1c1cccc(F)c1-c1nnn[n-]1 ZINC000820697646 599585354 /nfs/dbraw/zinc/58/53/54/599585354.db2.gz JUQCFEQMMADZQO-WDEREUQCSA-N -1 3 289.358 3.021 20 0 CGADHM C[C@@H]1CCC[C@H](C)CN1c1cccc(F)c1-c1nn[n-]n1 ZINC000820697646 599585355 /nfs/dbraw/zinc/58/53/55/599585355.db2.gz JUQCFEQMMADZQO-WDEREUQCSA-N -1 3 289.358 3.021 20 0 CGADHM C[C@@H](NCc1cccc(C(=O)[O-])c1)c1ccc(F)cc1 ZINC000235214737 598191878 /nfs/dbraw/zinc/19/18/78/598191878.db2.gz LPAPULRTWLBNIK-LLVKDONJSA-N -1 3 273.307 3.375 20 0 CGADHM O=C([O-])c1cccc(CN[C@@H]2CCc3cc(F)ccc32)c1 ZINC000821551706 598192213 /nfs/dbraw/zinc/19/22/13/598192213.db2.gz VLHAGVOJDRRPJR-MRXNPFEDSA-N -1 3 285.318 3.301 20 0 CGADHM CCOCc1ccc(CNCc2cccc(C(=O)[O-])c2)cc1 ZINC000263377183 598202339 /nfs/dbraw/zinc/20/23/39/598202339.db2.gz CCPXQKPKNYXWGJ-UHFFFAOYSA-N -1 3 299.370 3.211 20 0 CGADHM O=C([O-])CCCCN[C@H](c1ccccc1)c1ccccn1 ZINC000262243930 598212760 /nfs/dbraw/zinc/21/27/60/598212760.db2.gz ONHIWBGNBGGWBR-QGZVFWFLSA-N -1 3 284.359 3.016 20 0 CGADHM Cc1ccc([C@H](C)Nc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000737319938 598240880 /nfs/dbraw/zinc/24/08/80/598240880.db2.gz HPXLNOBLGMMVON-NSHDSACASA-N -1 3 297.337 3.487 20 0 CGADHM Clc1cscc1C=Cc1ccc(-c2nnn[n-]2)cn1 ZINC000822591829 607368042 /nfs/dbraw/zinc/36/80/42/607368042.db2.gz XTRHZAGWMPJSEL-DUXPYHPUSA-N -1 3 289.751 3.147 20 0 CGADHM Clc1cscc1C=Cc1ccc(-c2nn[n-]n2)cn1 ZINC000822591829 607368045 /nfs/dbraw/zinc/36/80/45/607368045.db2.gz XTRHZAGWMPJSEL-DUXPYHPUSA-N -1 3 289.751 3.147 20 0 CGADHM COc1cccc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821872023 599363599 /nfs/dbraw/zinc/36/35/99/599363599.db2.gz HRTMRZIAGAKLCH-LLVKDONJSA-N -1 3 295.346 3.048 20 0 CGADHM COc1cccc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821872023 599363602 /nfs/dbraw/zinc/36/36/02/599363602.db2.gz HRTMRZIAGAKLCH-LLVKDONJSA-N -1 3 295.346 3.048 20 0 CGADHM Cc1cccc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822323889 599363737 /nfs/dbraw/zinc/36/37/37/599363737.db2.gz QHKBPIVGLBTHDJ-GFCCVEGCSA-N -1 3 279.347 3.348 20 0 CGADHM Cc1cccc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822323889 599363740 /nfs/dbraw/zinc/36/37/40/599363740.db2.gz QHKBPIVGLBTHDJ-GFCCVEGCSA-N -1 3 279.347 3.348 20 0 CGADHM CC(C)CSc1cccc(Cl)c1-c1nn[n-]n1 ZINC000820103181 599451647 /nfs/dbraw/zinc/45/16/47/599451647.db2.gz OTBCVXSDQHCFLK-UHFFFAOYSA-N -1 3 268.773 3.268 20 0 CGADHM CC(C)CSc1cccc(Cl)c1-c1nnn[n-]1 ZINC000820103181 599451644 /nfs/dbraw/zinc/45/16/44/599451644.db2.gz OTBCVXSDQHCFLK-UHFFFAOYSA-N -1 3 268.773 3.268 20 0 CGADHM CC1CCC(N(C)c2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000820689837 599464818 /nfs/dbraw/zinc/46/48/18/599464818.db2.gz CTJXIDAVFILTRM-UHFFFAOYSA-N -1 3 289.358 3.021 20 0 CGADHM CC1CCC(N(C)c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000820689837 599464820 /nfs/dbraw/zinc/46/48/20/599464820.db2.gz CTJXIDAVFILTRM-UHFFFAOYSA-N -1 3 289.358 3.021 20 0 CGADHM C[C@@H]1CCC[C@@H](N(C)c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000820698324 599470506 /nfs/dbraw/zinc/47/05/06/599470506.db2.gz SSUMBABHQATUMD-ZYHUDNBSSA-N -1 3 289.358 3.021 20 0 CGADHM C[C@@H]1CCC[C@@H](N(C)c2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000820698324 599470503 /nfs/dbraw/zinc/47/05/03/599470503.db2.gz SSUMBABHQATUMD-ZYHUDNBSSA-N -1 3 289.358 3.021 20 0 CGADHM O=C([O-])c1cccc(CN2CCC[C@H]2c2ccco2)c1 ZINC000263495076 600215291 /nfs/dbraw/zinc/21/52/91/600215291.db2.gz SOQQALRGIDGFFG-AWEZNQCLSA-N -1 3 271.316 3.315 20 0 CGADHM C[C@@H](c1ccc(F)c(F)c1)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000405355410 600302141 /nfs/dbraw/zinc/30/21/41/600302141.db2.gz IGSZSCJBMLVANN-CMPLNLGQSA-N -1 3 295.329 3.213 20 0 CGADHM Cc1cccc(C)c1CN(C)Cc1ccc(C(=O)[O-])o1 ZINC000724900693 600431430 /nfs/dbraw/zinc/43/14/30/600431430.db2.gz TXYYRJUZJHCPRS-UHFFFAOYSA-N -1 3 273.332 3.227 20 0 CGADHM O=C([O-])[C@H](NC/C=C\c1ccccc1)c1ccccc1F ZINC000756332963 600750243 /nfs/dbraw/zinc/75/02/43/600750243.db2.gz OGIOQXZEDMUIJQ-CXOKCQFOSA-N -1 3 285.318 3.254 20 0 CGADHM O=C([O-])c1cccc(OCCN2CC[C@H]2c2ccccc2)c1 ZINC000833331420 601008811 /nfs/dbraw/zinc/00/88/11/601008811.db2.gz ICGTUUOZSBRHJN-KRWDZBQOSA-N -1 3 297.354 3.211 20 0 CGADHM Cn1cccc1[C@@H]1CCCCN1Cc1cccc(C(=O)[O-])c1 ZINC000833058822 601117435 /nfs/dbraw/zinc/11/74/35/601117435.db2.gz GXNITCSOEJFPLI-KRWDZBQOSA-N -1 3 298.386 3.451 20 0 CGADHM O=C([O-])c1occc1CN1CCSC2(CCCCC2)C1 ZINC000833346162 601158496 /nfs/dbraw/zinc/15/84/96/601158496.db2.gz JMLQGWXKMWGJKO-UHFFFAOYSA-N -1 3 295.404 3.230 20 0 CGADHM O=C([O-])[C@H]1c2ccccc2CCN1Cc1ccccc1F ZINC000043594143 601546157 /nfs/dbraw/zinc/54/61/57/601546157.db2.gz QBXNOGCJUYNKTE-MRXNPFEDSA-N -1 3 285.318 3.010 20 0 CGADHM CC[C@](C)(CC(=O)[O-])NCc1nc(C(C)(C)C)cs1 ZINC000828671737 602219377 /nfs/dbraw/zinc/21/93/77/602219377.db2.gz GLGKLTLJSVNYCM-CQSZACIVSA-N -1 3 284.425 3.174 20 0 CGADHM CC(C)CC1CCN(Cc2ccc(C(=O)[O-])o2)CC1 ZINC000826840872 602229543 /nfs/dbraw/zinc/22/95/43/602229543.db2.gz QHZHFAOEOOXIJK-UHFFFAOYSA-N -1 3 265.353 3.236 20 0 CGADHM Cc1ccccc1[C@@H](C)NCc1ccc(NC(=O)[O-])nc1 ZINC000830552678 603533269 /nfs/dbraw/zinc/53/32/69/603533269.db2.gz AMEKFAPOVRJMGQ-GFCCVEGCSA-N -1 3 285.347 3.331 20 0 CGADHM C[C@H]1Cc2ccccc2[C@H]1NCc1ccc(NC(=O)[O-])nc1 ZINC000826093287 603551930 /nfs/dbraw/zinc/55/19/30/603551930.db2.gz BWFDZXSLEQGJER-ZBEGNZNMSA-N -1 3 297.358 3.195 20 0 CGADHM CC(C)[C@@H](Nc1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC000820026079 606027231 /nfs/dbraw/zinc/02/72/31/606027231.db2.gz HEKRLZUCOSJJTA-OAHLLOKOSA-N -1 3 294.362 3.071 20 0 CGADHM CC(C)[C@@H](Nc1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC000820026079 606027235 /nfs/dbraw/zinc/02/72/35/606027235.db2.gz HEKRLZUCOSJJTA-OAHLLOKOSA-N -1 3 294.362 3.071 20 0 CGADHM Clc1cccc(Sc2ncccc2-c2nnn[n-]2)c1 ZINC000822585756 606431267 /nfs/dbraw/zinc/43/12/67/606431267.db2.gz MQBGGNHOCPKQJR-UHFFFAOYSA-N -1 3 289.751 3.066 20 0 CGADHM Clc1cccc(Sc2ncccc2-c2nn[n-]n2)c1 ZINC000822585756 606431269 /nfs/dbraw/zinc/43/12/69/606431269.db2.gz MQBGGNHOCPKQJR-UHFFFAOYSA-N -1 3 289.751 3.066 20 0 CGADHM CC[C@@H](C)CSc1cccc(F)c1-c1nnn[n-]1 ZINC000820870256 606798938 /nfs/dbraw/zinc/79/89/38/606798938.db2.gz PVGYCJXCRVVADP-MRVPVSSYSA-N -1 3 266.345 3.144 20 0 CGADHM CCCC[C@@H](Nc1ncccc1-c1nnn[n-]1)C1CCC1 ZINC000821043435 606804592 /nfs/dbraw/zinc/80/45/92/606804592.db2.gz PNCAZPQDXVMXPS-CYBMUJFWSA-N -1 3 286.383 3.033 20 0 CGADHM CCCC[C@@H](Nc1ncccc1-c1nn[n-]n1)C1CCC1 ZINC000821043435 606804594 /nfs/dbraw/zinc/80/45/94/606804594.db2.gz PNCAZPQDXVMXPS-CYBMUJFWSA-N -1 3 286.383 3.033 20 0 CGADHM CC1(C)CCC[C@H](C(=O)Nc2ccccc2-c2nnn[n-]2)C1 ZINC000824801697 607920401 /nfs/dbraw/zinc/92/04/01/607920401.db2.gz GRLHYURDYIACLP-NSHDSACASA-N -1 3 299.378 3.022 20 0 CGADHM CC1(C)CCC[C@H](C(=O)Nc2ccccc2-c2nn[n-]n2)C1 ZINC000824801697 607920402 /nfs/dbraw/zinc/92/04/02/607920402.db2.gz GRLHYURDYIACLP-NSHDSACASA-N -1 3 299.378 3.022 20 0 CGADHM CC[C@@H](Nc1ccc2cc(-c3nnn[n-]3)ccc2n1)C(C)C ZINC000825148528 608223085 /nfs/dbraw/zinc/22/30/85/608223085.db2.gz QRVDHSONDGIUTC-CYBMUJFWSA-N -1 3 296.378 3.261 20 0 CGADHM CC[C@@H](Nc1ccc2cc(-c3nn[n-]n3)ccc2n1)C(C)C ZINC000825148528 608223087 /nfs/dbraw/zinc/22/30/87/608223087.db2.gz QRVDHSONDGIUTC-CYBMUJFWSA-N -1 3 296.378 3.261 20 0 CGADHM C[C@@H]1CCN(c2ccc(-c3nnn[n-]3)c(Cl)c2)C[C@@H]1C ZINC000824961753 608302683 /nfs/dbraw/zinc/30/26/83/608302683.db2.gz HTDNDNNXGHOYFP-ZJUUUORDSA-N -1 3 291.786 3.002 20 0 CGADHM C[C@@H]1CCN(c2ccc(-c3nn[n-]n3)c(Cl)c2)C[C@@H]1C ZINC000824961753 608302685 /nfs/dbraw/zinc/30/26/85/608302685.db2.gz HTDNDNNXGHOYFP-ZJUUUORDSA-N -1 3 291.786 3.002 20 0 CGADHM CCN(Cc1cccc(-c2nnn[n-]2)c1F)c1ccccc1 ZINC000825434803 608650506 /nfs/dbraw/zinc/65/05/06/608650506.db2.gz FSUHKEJECNJOPY-UHFFFAOYSA-N -1 3 297.337 3.032 20 0 CGADHM CCN(Cc1cccc(-c2nn[n-]n2)c1F)c1ccccc1 ZINC000825434803 608650508 /nfs/dbraw/zinc/65/05/08/608650508.db2.gz FSUHKEJECNJOPY-UHFFFAOYSA-N -1 3 297.337 3.032 20 0 CGADHM C[C@@H]1C[C@H]1c1ccc(CNc2cccc(-c3nnn[n-]3)c2)o1 ZINC000315742480 608867979 /nfs/dbraw/zinc/86/79/79/608867979.db2.gz OBVSBEGEKVOXQB-QMTHXVAHSA-N -1 3 295.346 3.195 20 0 CGADHM C[C@@H]1C[C@H]1c1ccc(CNc2cccc(-c3nn[n-]n3)c2)o1 ZINC000315742480 608867984 /nfs/dbraw/zinc/86/79/84/608867984.db2.gz OBVSBEGEKVOXQB-QMTHXVAHSA-N -1 3 295.346 3.195 20 0 CGADHM CCc1cc(NCc2ccc(-c3nnn[n-]3)cc2)ccc1C ZINC000825700719 609313270 /nfs/dbraw/zinc/31/32/70/609313270.db2.gz QRDAKTTVRRFKTE-UHFFFAOYSA-N -1 3 293.374 3.350 20 0 CGADHM CCc1cc(NCc2ccc(-c3nn[n-]n3)cc2)ccc1C ZINC000825700719 609313272 /nfs/dbraw/zinc/31/32/72/609313272.db2.gz QRDAKTTVRRFKTE-UHFFFAOYSA-N -1 3 293.374 3.350 20 0 CGADHM Cc1ccccc1N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1F ZINC000826307673 609346662 /nfs/dbraw/zinc/34/66/62/609346662.db2.gz RVKZOAMGOFGPOH-NSHDSACASA-N -1 3 297.337 3.487 20 0 CGADHM Cc1ccccc1N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC000826307673 609346664 /nfs/dbraw/zinc/34/66/64/609346664.db2.gz RVKZOAMGOFGPOH-NSHDSACASA-N -1 3 297.337 3.487 20 0 CGADHM CSCCCCCCNc1ccc(-c2nn[n-]n2)cc1 ZINC000826228479 609588321 /nfs/dbraw/zinc/58/83/21/609588321.db2.gz QBLZHHDEKZFIOJ-UHFFFAOYSA-N -1 3 291.424 3.202 20 0 CGADHM Cc1csc(CNC[C@H](C(=O)[O-])C2CCCCCC2)n1 ZINC000900048093 620752480 /nfs/dbraw/zinc/75/24/80/620752480.db2.gz CQLBWAIBWPZLRU-ZDUSSCGKSA-N -1 3 296.436 3.212 20 0 CGADHM CSCc1ccc(C[N-]C(=O)C(F)(F)C(F)F)cc1 ZINC000804703443 617808473 /nfs/dbraw/zinc/80/84/73/617808473.db2.gz KOHGIJUPBWZAHN-UHFFFAOYSA-N -1 3 295.301 3.066 20 0 CGADHM [O-]c1ccc(CN2CCO[C@@H](c3cccs3)C2)cc1F ZINC000891824778 618319504 /nfs/dbraw/zinc/31/95/04/618319504.db2.gz FINHZWITNVXNFW-CQSZACIVSA-N -1 3 293.363 3.166 20 0 CGADHM O=C(Nc1noc2c1CCCC2)c1cc([O-])ccc1Cl ZINC000900788272 620813219 /nfs/dbraw/zinc/81/32/19/620813219.db2.gz UNCOVDSXTTVNTO-UHFFFAOYSA-N -1 3 292.722 3.165 20 0 CGADHM Cc1cc(CO[N-]C(=O)Cc2ccc(C)cc2)c(C)s1 ZINC000177580653 618830626 /nfs/dbraw/zinc/83/06/26/618830626.db2.gz IHTAPWRAZKYDEC-UHFFFAOYSA-N -1 3 289.400 3.464 20 0 CGADHM O=C(C[C@@H]1C[C@H]1Cc1ccccc1)[N-]OC/C=C\Cl ZINC000936060102 618932866 /nfs/dbraw/zinc/93/28/66/618932866.db2.gz RAXPRRFKKCSQAC-ZVSVUTOMSA-N -1 3 279.767 3.056 20 0 CGADHM O=C(C[C@@H]1CCc2ccccc21)[N-]OCCC(F)(F)F ZINC000162796143 619151587 /nfs/dbraw/zinc/15/15/87/619151587.db2.gz ASKWZKBJAUXFTF-NSHDSACASA-N -1 3 287.281 3.107 20 0 CGADHM Cc1cc2scc(CC(=O)[N-]OCC(F)F)c2s1 ZINC000879476432 619501389 /nfs/dbraw/zinc/50/13/89/619501389.db2.gz FFVLDJSRXIRWJF-UHFFFAOYSA-N -1 3 291.344 3.127 20 0 CGADHM CC(C)c1ccccc1OCCC(=O)[N-]OC/C=C\Cl ZINC000794289901 619740625 /nfs/dbraw/zinc/74/06/25/619740625.db2.gz IXLKHOZOFYBKDA-UITAMQMPSA-N -1 3 297.782 3.379 20 0 CGADHM CC(C)=CCC[C@H](C)CC(=O)[N-]OCc1ccccn1 ZINC000909543672 620086187 /nfs/dbraw/zinc/08/61/87/620086187.db2.gz IQHFRIMUUBFFEN-AWEZNQCLSA-N -1 3 276.380 3.402 20 0 CGADHM CC(C)C[C@@H](CNCc1csc(C(C)(C)C)n1)C(=O)[O-] ZINC000263492355 620322285 /nfs/dbraw/zinc/32/22/85/620322285.db2.gz PFSZGEAPJLJZHW-NSHDSACASA-N -1 3 298.452 3.277 20 0 CGADHM O=C(C[C@H]1CCC2(CCC2)O1)Nc1c([O-])cccc1Cl ZINC000897846422 620438898 /nfs/dbraw/zinc/43/88/98/620438898.db2.gz JNBFALYGVREEHX-SNVBAGLBSA-N -1 3 295.766 3.476 20 0 CGADHM [O-]c1ccc(CNc2cnn(C3CCC3)c2)cc1F ZINC000897877580 620441818 /nfs/dbraw/zinc/44/18/18/620441818.db2.gz LPSRXNCEUAYEEK-UHFFFAOYSA-N -1 3 261.300 3.065 20 0 CGADHM CCCCC[C@H](C)CC(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000898216054 620488969 /nfs/dbraw/zinc/48/89/69/620488969.db2.gz LYKXESLPQKADLP-STQMWFEESA-N -1 3 293.411 3.038 20 0 CGADHM COc1cc(Cl)ccc1CO[N-]C(=O)CC(C)(C)C ZINC000842061512 620576931 /nfs/dbraw/zinc/57/69/31/620576931.db2.gz MBVBWOLUYUBFBS-UHFFFAOYSA-N -1 3 285.771 3.333 20 0 CGADHM C[C@@H](N[C@H](CCC(=O)[O-])c1ccccc1)c1ccccn1 ZINC000901648676 620962534 /nfs/dbraw/zinc/96/25/34/620962534.db2.gz RWHYNSROXUEKBP-CZUORRHYSA-N -1 3 284.359 3.338 20 0 CGADHM C[C@H]1CCN(Cc2cc(F)cc(Cl)c2)[C@H](C(=O)[O-])C1 ZINC000902015956 621101638 /nfs/dbraw/zinc/10/16/38/621101638.db2.gz KVJUBNJWYCPSQJ-ZANVPECISA-N -1 3 285.746 3.164 20 0 CGADHM CC(C)(CCN1CCc2[nH]c3ccccc3c2C1)C(=O)[O-] ZINC000902085791 621140317 /nfs/dbraw/zinc/14/03/17/621140317.db2.gz XSIOYLQMOHLEEA-UHFFFAOYSA-N -1 3 286.375 3.027 20 0 CGADHM C[C@H](NCc1ccc(OCC(=O)[O-])cc1)c1ccsc1 ZINC000902202907 621193923 /nfs/dbraw/zinc/19/39/23/621193923.db2.gz YQFSJUMONMHDEC-NSHDSACASA-N -1 3 291.372 3.062 20 0 CGADHM CCc1nc([C@H](C)N[C@@H]2CC[C@@H](C(=O)[O-])[C@H](C)C2)cs1 ZINC000902253510 621209680 /nfs/dbraw/zinc/20/96/80/621209680.db2.gz VZAVLSHRIYCQRS-WRWGMCAJSA-N -1 3 296.436 3.246 20 0 CGADHM C[C@H](CC(C)(C)CC(=O)[O-])N[C@@H]1C[C@@]1(F)c1ccccc1 ZINC000902340891 621253233 /nfs/dbraw/zinc/25/32/33/621253233.db2.gz KXGZXVZRPJXDMV-SUYBPPKGSA-N -1 3 293.382 3.493 20 0 CGADHM CC(C)C1(C)CCN(Cc2cccc(C(=O)[O-])n2)CC1 ZINC000902441711 621320830 /nfs/dbraw/zinc/32/08/30/621320830.db2.gz KKMXHTXRHTZLPR-UHFFFAOYSA-N -1 3 276.380 3.038 20 0 CGADHM Cc1c2occ([O-])c2ccc1OC[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000902616589 621386020 /nfs/dbraw/zinc/38/60/20/621386020.db2.gz DGIRFGKGGGKXFL-YHPBZONMSA-N -1 3 294.297 3.240 20 0 CGADHM O=C([O-])[C@H]1CN(CC[C@@H]2C[C@H]2C2CC2)Cc2ccccc21 ZINC000903408774 621731936 /nfs/dbraw/zinc/73/19/36/621731936.db2.gz MCJQPDZGCJOASO-COXVUDFISA-N -1 3 285.387 3.107 20 0 CGADHM C=C/C=C\CCN1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC000903606253 621770356 /nfs/dbraw/zinc/77/03/56/621770356.db2.gz IHXMGAZDWZELMZ-ARJAWSKDSA-N -1 3 275.323 3.014 20 0 CGADHM C[C@@H]1CCN(Cc2cncc(C(=O)[O-])c2)[C@@H]2CCCC[C@H]12 ZINC000903888292 621823360 /nfs/dbraw/zinc/82/33/60/621823360.db2.gz YFBWLEHZKGCISG-DAXOMENPSA-N -1 3 288.391 3.180 20 0 CGADHM O=C([O-])N[C@H]1C[C@H](NCc2ccccc2Cl)C12CCC2 ZINC000904203369 621889120 /nfs/dbraw/zinc/88/91/20/621889120.db2.gz JVMGNKYKVUGXGP-STQMWFEESA-N -1 3 294.782 3.008 20 0 CGADHM [O-]c1ccc(F)c(CNc2nnc(C3CCCC3)o2)c1F ZINC000905425381 622073833 /nfs/dbraw/zinc/07/38/33/622073833.db2.gz WCXOPPDVYRFLOA-UHFFFAOYSA-N -1 3 295.289 3.323 20 0 CGADHM C[C@H]1CCc2ccccc2[C@H]1NCc1ccc(C(=O)[O-])cn1 ZINC000905726787 622100940 /nfs/dbraw/zinc/10/09/40/622100940.db2.gz YXVXEYYNFJXSAD-SJCJKPOMSA-N -1 3 296.370 3.193 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)CCCC(=O)c1ccccc1 ZINC000908353028 622344402 /nfs/dbraw/zinc/34/44/02/622344402.db2.gz OYKUNAXLHKKCFC-ZDUSSCGKSA-N -1 3 277.364 3.134 20 0 CGADHM [O-]c1ccc(Cl)cc1/C=N/C[C@@H](O)c1ccc(F)cc1 ZINC000032068951 622470604 /nfs/dbraw/zinc/47/06/04/622470604.db2.gz SLBYWQJRLOKASF-RIEVCORGSA-N -1 3 293.725 3.337 20 0 CGADHM Cc1cccc(CO[N-]C(=O)C2(C3CCCCC3)CC2)n1 ZINC000912630139 622684759 /nfs/dbraw/zinc/68/47/59/622684759.db2.gz DNRQOGZNGKARQS-UHFFFAOYSA-N -1 3 288.391 3.298 20 0 CGADHM Cc1cccc(COC(=O)c2cc(-c3ccco3)[n-]n2)c1 ZINC000913300007 622756173 /nfs/dbraw/zinc/75/61/73/622756173.db2.gz WDVFOWUKVWYAAF-UHFFFAOYSA-N -1 3 282.299 3.335 20 0 CGADHM Cc1cccc(COC(=O)c2cc(-c3ccco3)n[n-]2)c1 ZINC000913300007 622756180 /nfs/dbraw/zinc/75/61/80/622756180.db2.gz WDVFOWUKVWYAAF-UHFFFAOYSA-N -1 3 282.299 3.335 20 0 CGADHM CC[C@H]([N-]C(=O)C(F)(F)C(F)F)c1ccccc1 ZINC000226603559 622983943 /nfs/dbraw/zinc/98/39/43/622983943.db2.gz XTPYFIFCTQIUSY-VIFPVBQESA-N -1 3 263.234 3.154 20 0 CGADHM CC(=O)Nc1ccc(NC(=O)c2cc(C)ccc2[O-])cc1C ZINC000029818258 623419421 /nfs/dbraw/zinc/41/94/21/623419421.db2.gz PZIZRECYODCIOV-UHFFFAOYSA-N -1 3 298.342 3.220 20 0 CGADHM O=C(c1cc2sccc2c([O-])c1)N1CCC(F)CC1 ZINC000914430526 623734917 /nfs/dbraw/zinc/73/49/17/623734917.db2.gz CGRWQASPTJUDKD-UHFFFAOYSA-N -1 3 279.336 3.181 20 0 CGADHM CC[C@@H](NC(=O)c1ccccc1[O-])c1ccccc1OC ZINC000915162364 623907029 /nfs/dbraw/zinc/90/70/29/623907029.db2.gz HXICNAGEFOFYDR-CQSZACIVSA-N -1 3 285.343 3.282 20 0 CGADHM COc1ccc2c(c1)CCC[C@@H]2CC(=O)[N-]OCC(C)C ZINC000153604847 623974619 /nfs/dbraw/zinc/97/46/19/623974619.db2.gz PVKKPTHXGQEEBJ-CQSZACIVSA-N -1 3 291.391 3.209 20 0 CGADHM O=C([N-]c1n[nH]c(-c2cccs2)n1)c1ccc(Cl)o1 ZINC000917127983 624245845 /nfs/dbraw/zinc/24/58/45/624245845.db2.gz WEKKOBOJXXCNFD-UHFFFAOYSA-N -1 3 294.723 3.032 20 0 CGADHM O=C([N-]OCCC(F)(F)F)C12CC3CC(CC(C3)C1)C2 ZINC000155007870 624408838 /nfs/dbraw/zinc/40/88/38/624408838.db2.gz QXUWGGBBNUPOII-UHFFFAOYSA-N -1 3 291.313 3.203 20 0 CGADHM Cc1ccc(C(=O)Nc2ccc3oc(=O)ccc3c2)c([O-])c1 ZINC000920004528 624437692 /nfs/dbraw/zinc/43/76/92/624437692.db2.gz PQKYFLNYHFGIOG-UHFFFAOYSA-N -1 3 295.294 3.059 20 0 CGADHM Cc1ccc(-c2cc(C(=O)OCc3ncccc3C)n[n-]2)o1 ZINC000180297573 624734032 /nfs/dbraw/zinc/73/40/32/624734032.db2.gz PGKLPRJDLZGFDQ-UHFFFAOYSA-N -1 3 297.314 3.039 20 0 CGADHM Cc1ccc(-c2cc(C(=O)OCc3ncccc3C)[n-]n2)o1 ZINC000180297573 624734039 /nfs/dbraw/zinc/73/40/39/624734039.db2.gz PGKLPRJDLZGFDQ-UHFFFAOYSA-N -1 3 297.314 3.039 20 0 CGADHM O=C([N-]c1ccon1)c1occc1COc1ccccc1 ZINC000183707223 625116934 /nfs/dbraw/zinc/11/69/34/625116934.db2.gz DJUHRIFDXSDIMS-UHFFFAOYSA-N -1 3 284.271 3.099 20 0 CGADHM O=C(CCc1ccccc1)[N-]OCc1ccc(F)cc1 ZINC000184186202 625209399 /nfs/dbraw/zinc/20/93/99/625209399.db2.gz PSXMNHLIHAKKCD-UHFFFAOYSA-N -1 3 273.307 3.006 20 0 CGADHM Cc1ccc(C(=O)N2Cc3ccccc3[C@@H](C)C2)c([O-])c1 ZINC000922232598 625987663 /nfs/dbraw/zinc/98/76/63/625987663.db2.gz PJDVPAIJAQKTBU-ZDUSSCGKSA-N -1 3 281.355 3.460 20 0 CGADHM CC(C)C[C@@H](C)CC(=O)[N-]OCc1ccc(F)cc1 ZINC000754722937 626584640 /nfs/dbraw/zinc/58/46/40/626584640.db2.gz GHJFLERIFLDJNX-GFCCVEGCSA-N -1 3 267.344 3.446 20 0 CGADHM C[C@]1(C(=O)[N-]OCCC2CC2)C[C@@H]1c1ccccc1 ZINC000839776637 626786935 /nfs/dbraw/zinc/78/69/35/626786935.db2.gz ADFVIISVCQBYDD-ZBFHGGJFSA-N -1 3 259.349 3.028 20 0 CGADHM CCOC(=O)c1ccc(NC(=O)/C=C\C(C)(C)C)c([O-])c1 ZINC000760211651 626944759 /nfs/dbraw/zinc/94/47/59/626944759.db2.gz ZTGDFTFLVDHPEA-HJWRWDBZSA-N -1 3 291.347 3.110 20 0 CGADHM Cc1ccc2oc(SCc3nc(C)cc(=O)[n-]3)nc2c1 ZINC000761867151 627069437 /nfs/dbraw/zinc/06/94/37/627069437.db2.gz VGNCQHJZOXTKGV-UHFFFAOYSA-N -1 3 287.344 3.233 20 0 CGADHM Cc1ccc(C)c(SCCC[N-]C(=O)C(F)(F)F)c1 ZINC000762773064 627123538 /nfs/dbraw/zinc/12/35/38/627123538.db2.gz PNFJBZVJDPLDPX-UHFFFAOYSA-N -1 3 291.338 3.464 20 0 CGADHM CC(=O)CCCCOC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000762851173 627129148 /nfs/dbraw/zinc/12/91/48/627129148.db2.gz KVZCLBLDZBOSBC-UHFFFAOYSA-N -1 3 278.135 3.238 20 0 CGADHM O=C(OCc1ccc(C(F)F)cc1)c1cncc([O-])c1 ZINC000764547150 627211777 /nfs/dbraw/zinc/21/17/77/627211777.db2.gz ZBBRRTRCYMUBKX-UHFFFAOYSA-N -1 3 279.242 3.082 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)Cc1cccc2ccccc21 ZINC000764553074 627212034 /nfs/dbraw/zinc/21/20/34/627212034.db2.gz PTBSJLVLVUIAGI-CYBMUJFWSA-N -1 3 271.360 3.476 20 0 CGADHM Cc1ccc(CCO[N-]C(=O)Cc2ccc(C)cc2)cc1 ZINC000767932870 627444899 /nfs/dbraw/zinc/44/48/99/627444899.db2.gz DLUQHZCOBVSAOL-UHFFFAOYSA-N -1 3 283.371 3.136 20 0 CGADHM CCN(C(=O)c1cc2c(cc1[O-])OCO2)c1ccc(C)cc1 ZINC000769676902 627572156 /nfs/dbraw/zinc/57/21/56/627572156.db2.gz CNHRHFYUOBZBNO-UHFFFAOYSA-N -1 3 299.326 3.096 20 0 CGADHM O=C(CCCCCc1cccs1)[N-]OC1CCOCC1 ZINC000772720091 627817901 /nfs/dbraw/zinc/81/79/01/627817901.db2.gz ZFGYXPZTJUDEOV-UHFFFAOYSA-N -1 3 297.420 3.078 20 0 CGADHM CCCCOCCOC(=O)c1cc(F)cc(Cl)c1[O-] ZINC000805483723 627880404 /nfs/dbraw/zinc/88/04/04/627880404.db2.gz UJNJCXNUPYZNFV-UHFFFAOYSA-N -1 3 290.718 3.158 20 0 CGADHM Cc1ccccc1CCC(=O)[N-]OC1CCCCC1 ZINC000777950099 628313823 /nfs/dbraw/zinc/31/38/23/628313823.db2.gz SOWUWTRKQUMCDC-UHFFFAOYSA-N -1 3 261.365 3.308 20 0 CGADHM O=C(C[C@@H]1CCOc2ccccc21)[N-]OC1CCCCC1 ZINC000777961474 628315444 /nfs/dbraw/zinc/31/54/44/628315444.db2.gz OJRQFSOMVHSBAB-ZDUSSCGKSA-N -1 3 289.375 3.323 20 0 CGADHM Cc1[nH]c2ccccc2c1CC(=O)[N-]OC1CCCCC1 ZINC000777961230 628315556 /nfs/dbraw/zinc/31/55/56/628315556.db2.gz LXYMWAHZOMYWBN-UHFFFAOYSA-N -1 3 286.375 3.399 20 0 CGADHM O=C(CCc1cccs1)[N-]OC1CCCCC1 ZINC000777963184 628315990 /nfs/dbraw/zinc/31/59/90/628315990.db2.gz TZNMLCYBOWRFHS-UHFFFAOYSA-N -1 3 253.367 3.061 20 0 CGADHM Cc1ccc(C=C2SC(=O)[N-]C2=O)cc1Br ZINC000874927394 634652993 /nfs/dbraw/zinc/65/29/93/634652993.db2.gz BZXCJYZJMWVDSD-UITAMQMPSA-N -1 3 298.161 3.081 20 0 CGADHM Cc1cc(C=C2SC(=O)[N-]C2=O)ccc1C(F)(F)F ZINC000874929397 634653985 /nfs/dbraw/zinc/65/39/85/634653985.db2.gz BRMULNLCWAYMAQ-WEVVVXLNSA-N -1 3 287.262 3.338 20 0 CGADHM CCCCC[C@H](CC)C(=O)Nc1cc(C(=O)OCC)n[n-]1 ZINC000781431122 628559409 /nfs/dbraw/zinc/55/94/09/628559409.db2.gz SIWRXQDUCMDYMR-NSHDSACASA-N -1 3 295.383 3.131 20 0 CGADHM CCCCC[C@H](CC)C(=O)Nc1cc(C(=O)OCC)[n-]n1 ZINC000781431122 628559412 /nfs/dbraw/zinc/55/94/12/628559412.db2.gz SIWRXQDUCMDYMR-NSHDSACASA-N -1 3 295.383 3.131 20 0 CGADHM C/C(=C\c1ccc(C)cc1)C(=O)Nc1ncccc1[O-] ZINC000783646340 628735157 /nfs/dbraw/zinc/73/51/57/628735157.db2.gz RUBPGYGHBCOGDY-ZRDIBKRKSA-N -1 3 268.316 3.138 20 0 CGADHM CC(C)(C)OCCCOC(=O)c1cc2occc2[n-]1 ZINC000786029995 628908322 /nfs/dbraw/zinc/90/83/22/628908322.db2.gz KNVSLUQLGSQOPJ-UHFFFAOYSA-N -1 3 265.309 3.123 20 0 CGADHM O=C([N-]C1(C2CC2)CC1)C(F)(F)c1cc(F)cc(F)c1 ZINC000875446356 634699779 /nfs/dbraw/zinc/69/97/79/634699779.db2.gz APUFAJKUSGTJLB-UHFFFAOYSA-N -1 3 287.256 3.115 20 0 CGADHM O=C(OCc1ccc(F)cn1)c1cc(Cl)c(Cl)[n-]1 ZINC000787620914 629019322 /nfs/dbraw/zinc/01/93/22/629019322.db2.gz XRWJQAHOCFHTBV-UHFFFAOYSA-N -1 3 289.093 3.213 20 0 CGADHM O=C1[N-]C(=O)/C(=C\c2ccsc2Cl)c2ccccc21 ZINC000790215418 629194299 /nfs/dbraw/zinc/19/42/99/629194299.db2.gz QQWMQXVAFDYLBI-XFFZJAGNSA-N -1 3 289.743 3.212 20 0 CGADHM Cc1ccc(C(=O)Nc2cccc3ocnc32)c([O-])c1 ZINC000791004127 629249190 /nfs/dbraw/zinc/24/91/90/629249190.db2.gz GBBRENJLOTWXEZ-UHFFFAOYSA-N -1 3 268.272 3.094 20 0 CGADHM CCCCCC[C@H](CC)CN(C)C(=O)c1cc(=O)[n-]cn1 ZINC000862231255 629327029 /nfs/dbraw/zinc/32/70/29/629327029.db2.gz NDZJJABUPNWZDU-ZDUSSCGKSA-N -1 3 293.411 3.251 20 0 CGADHM CCCc1cc(=O)[n-]c(C(=Cc2ccnc(F)c2)CC)n1 ZINC000863190263 629490744 /nfs/dbraw/zinc/49/07/44/629490744.db2.gz QDZZXEWTNAOCCO-XYOKQWHBSA-N -1 3 287.338 3.207 20 0 CGADHM C[C@H]1C[C@@H]1CO[N-]C(=O)Cc1cccc2ccccc21 ZINC000863457394 629576001 /nfs/dbraw/zinc/57/60/01/629576001.db2.gz FLPJREWJUHWURN-SWLSCSKDSA-N -1 3 269.344 3.086 20 0 CGADHM O=C(CCC1CCCCC1)[N-]OCc1ccnc(F)c1 ZINC000863456905 629576390 /nfs/dbraw/zinc/57/63/90/629576390.db2.gz NVCSZDMQUHDLGY-UHFFFAOYSA-N -1 3 280.343 3.129 20 0 CGADHM CCOc1ccccc1CCC(=O)[N-]OC[C@H](C)CC ZINC000794844261 629586618 /nfs/dbraw/zinc/58/66/18/629586618.db2.gz XEIQFQLMYDPPFW-CYBMUJFWSA-N -1 3 279.380 3.112 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)CCc1cncc2ccccc21 ZINC000794854908 629589528 /nfs/dbraw/zinc/58/95/28/629589528.db2.gz TWYLMKGPLNXAFZ-ZDUSSCGKSA-N -1 3 286.375 3.261 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)C[C@H](C)c1cccc(F)c1 ZINC000794870101 629592291 /nfs/dbraw/zinc/59/22/91/629592291.db2.gz KRXGPUXXMPVSCH-RYUDHWBXSA-N -1 3 267.344 3.413 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)Cc1ccccc1C(F)(F)F ZINC000794873647 629593400 /nfs/dbraw/zinc/59/34/00/629593400.db2.gz FEBACMODIPPYDG-JTQLQIEISA-N -1 3 289.297 3.342 20 0 CGADHM CCc1cc(=O)[n-]c(CSCc2coc(C3CC3)n2)n1 ZINC000865280213 630046569 /nfs/dbraw/zinc/04/65/69/630046569.db2.gz VQBVXKCZGMLKRO-UHFFFAOYSA-N -1 3 291.376 3.043 20 0 CGADHM C[C@@H](OC(=O)c1cc2sccc2c([O-])c1)C(=O)C1CC1 ZINC000798660669 630083624 /nfs/dbraw/zinc/08/36/24/630083624.db2.gz LSPVWECQTZDMEH-MRVPVSSYSA-N -1 3 290.340 3.131 20 0 CGADHM Cc1ccc(CC(=O)[N-]OC[C@@H](C)CC(C)C)cc1 ZINC000799175734 630153351 /nfs/dbraw/zinc/15/33/51/630153351.db2.gz MXOFEPVKPOEJSP-AWEZNQCLSA-N -1 3 263.381 3.268 20 0 CGADHM Cc1ccccc1[C@H](C)OC(=O)c1cc(F)cc2[n-]nnc21 ZINC000800261945 630256397 /nfs/dbraw/zinc/25/63/97/630256397.db2.gz CRTLDIGAOAAKLP-JTQLQIEISA-N -1 3 299.305 3.323 20 0 CGADHM Cc1ccccc1[C@H](C)OC(=O)c1cc(F)cc2nn[n-]c21 ZINC000800261945 630256404 /nfs/dbraw/zinc/25/64/04/630256404.db2.gz CRTLDIGAOAAKLP-JTQLQIEISA-N -1 3 299.305 3.323 20 0 CGADHM Cc1ccccc1[C@H](C)OC(=O)c1cc(F)cc2n[n-]nc21 ZINC000800261945 630256407 /nfs/dbraw/zinc/25/64/07/630256407.db2.gz CRTLDIGAOAAKLP-JTQLQIEISA-N -1 3 299.305 3.323 20 0 CGADHM Cc1cccc([C@H](C)OC(=O)c2cc(F)cc3[n-]nnc32)c1 ZINC000800261954 630256761 /nfs/dbraw/zinc/25/67/61/630256761.db2.gz CYYYQRBIZBQSAC-JTQLQIEISA-N -1 3 299.305 3.323 20 0 CGADHM Cc1cccc([C@H](C)OC(=O)c2cc(F)cc3nn[n-]c32)c1 ZINC000800261954 630256763 /nfs/dbraw/zinc/25/67/63/630256763.db2.gz CYYYQRBIZBQSAC-JTQLQIEISA-N -1 3 299.305 3.323 20 0 CGADHM Cc1cccc([C@H](C)OC(=O)c2cc(F)cc3n[n-]nc32)c1 ZINC000800261954 630256764 /nfs/dbraw/zinc/25/67/64/630256764.db2.gz CYYYQRBIZBQSAC-JTQLQIEISA-N -1 3 299.305 3.323 20 0 CGADHM C[C@@H]1CSC[C@H]1NC(=O)c1cc2sccc2c([O-])c1 ZINC000804505202 630533446 /nfs/dbraw/zinc/53/34/46/630533446.db2.gz XPLSIYSNXUAYJI-LDYMZIIASA-N -1 3 293.413 3.088 20 0 CGADHM CC(=O)c1cccc(NC(=O)C=Cc2cccs2)c1[O-] ZINC000808187314 630629969 /nfs/dbraw/zinc/62/99/69/630629969.db2.gz CGIXZDPTIXGQDF-BQYQJAHWSA-N -1 3 287.340 3.308 20 0 CGADHM C[C@@H]1OCC[C@H]1OC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000810691344 630927838 /nfs/dbraw/zinc/92/78/38/630927838.db2.gz AOZVBNKAFNYVHV-IMTBSYHQSA-N -1 3 285.752 3.217 20 0 CGADHM Cc1ccc(-c2cc(C(=O)OCc3cccnc3C)n[n-]2)o1 ZINC000810889472 630975604 /nfs/dbraw/zinc/97/56/04/630975604.db2.gz ZHBCVELMBKFPDS-UHFFFAOYSA-N -1 3 297.314 3.039 20 0 CGADHM Cc1ccc(-c2cc(C(=O)OCc3cccnc3C)[n-]n2)o1 ZINC000810889472 630975610 /nfs/dbraw/zinc/97/56/10/630975610.db2.gz ZHBCVELMBKFPDS-UHFFFAOYSA-N -1 3 297.314 3.039 20 0 CGADHM COC1(COC(=O)c2cc(Cl)c(Cl)[n-]2)CCC1 ZINC000811176058 631038885 /nfs/dbraw/zinc/03/88/85/631038885.db2.gz SDJPKXXECVAKFS-UHFFFAOYSA-N -1 3 278.135 3.047 20 0 CGADHM O=C(CCc1ccccc1Cl)[N-]OC/C=C/Cl ZINC000812398597 631244902 /nfs/dbraw/zinc/24/49/02/631244902.db2.gz UPPWXIZMXKKEBY-FPYGCLRLSA-N -1 3 274.147 3.073 20 0 CGADHM Cc1ccc(C(=O)CCCC(=O)[N-]OC/C=C\Cl)cc1 ZINC000812404770 631246284 /nfs/dbraw/zinc/24/62/84/631246284.db2.gz KMLOZANALJZBGW-KMKOMSMNSA-N -1 3 295.766 3.148 20 0 CGADHM Cc1ccc(CCCCC(=O)[N-]OCCOC(C)C)cc1 ZINC000812808685 631318187 /nfs/dbraw/zinc/31/81/87/631318187.db2.gz JMGJQWSRCHENJV-UHFFFAOYSA-N -1 3 293.407 3.181 20 0 CGADHM C[C@H](NC(=O)c1cc2sccc2c([O-])c1)C(F)(F)F ZINC000813813156 631462557 /nfs/dbraw/zinc/46/25/57/631462557.db2.gz LEGZQYJRSBLVST-LURJTMIESA-N -1 3 289.278 3.288 20 0 CGADHM Nc1ccc(C(=O)N2CCC[C@H]2c2ccsc2)c([O-])c1 ZINC000817915001 632235392 /nfs/dbraw/zinc/23/53/92/632235392.db2.gz GAJRMTLIBRKVMA-ZDUSSCGKSA-N -1 3 288.372 3.013 20 0 CGADHM CC(C)C[C@@H]1CCCCCN1C(=O)c1ccc(N)cc1[O-] ZINC000817950798 632246725 /nfs/dbraw/zinc/24/67/25/632246725.db2.gz ZFQMHTRWCDPAED-AWEZNQCLSA-N -1 3 290.407 3.405 20 0 CGADHM O=C(OCC[C@H]1CC1(Cl)Cl)c1ccc([O-])cc1 ZINC000820134889 632575601 /nfs/dbraw/zinc/57/56/01/632575601.db2.gz ZQSLGIHWSYYRJP-VIFPVBQESA-N -1 3 275.131 3.133 20 0 CGADHM CC1=C(C)C[C@@](C)(C(=O)[N-]OCc2ccccn2)CC1 ZINC000822243146 632888944 /nfs/dbraw/zinc/88/89/44/632888944.db2.gz LIZNDDQUYSLVHQ-INIZCTEOSA-N -1 3 274.364 3.156 20 0 CGADHM Cc1cc2scc(CC(=O)[N-]OC3CCC3)c2s1 ZINC000880078249 635909715 /nfs/dbraw/zinc/90/97/15/635909715.db2.gz BRMNIPAIGAXOPI-UHFFFAOYSA-N -1 3 281.402 3.414 20 0 CGADHM C[C@H](CSC(C)(C)C)Nc1cccc(-c2nnn[n-]2)c1 ZINC000824450075 633246937 /nfs/dbraw/zinc/24/69/37/633246937.db2.gz RMYLRWONXNIRBL-SNVBAGLBSA-N -1 3 291.424 3.199 20 0 CGADHM C[C@H](CSC(C)(C)C)Nc1cccc(-c2nn[n-]n2)c1 ZINC000824450075 633246939 /nfs/dbraw/zinc/24/69/39/633246939.db2.gz RMYLRWONXNIRBL-SNVBAGLBSA-N -1 3 291.424 3.199 20 0 CGADHM CCOC1CC2(C[C@@H]2C(=O)Nc2c([O-])cccc2Cl)C1 ZINC000868567634 633336953 /nfs/dbraw/zinc/33/69/53/633336953.db2.gz PAMXMKJAKDLZNC-KGXJWFGYSA-N -1 3 295.766 3.189 20 0 CGADHM O=C(N[C@@H]1CCCC[C@@H]1F)c1cc([O-])ccc1Cl ZINC000870488694 633590776 /nfs/dbraw/zinc/59/07/76/633590776.db2.gz AIQMCBQMBXYOCC-NWDGAFQWSA-N -1 3 271.719 3.056 20 0 CGADHM CN(Cc1ccsc1)Cc1ccccc1CC(=O)[O-] ZINC000123515799 633711180 /nfs/dbraw/zinc/71/11/80/633711180.db2.gz LGYNJBZQYQPLBH-UHFFFAOYSA-N -1 3 275.373 3.007 20 0 CGADHM C[Si](C)(C)CCCC(=O)[N-]OCCCC(F)(F)F ZINC000871215792 633730030 /nfs/dbraw/zinc/73/00/30/633730030.db2.gz GZWRUKOZHZAYTD-UHFFFAOYSA-N -1 3 285.382 3.495 20 0 CGADHM COc1ccc(C(=O)[O-])c2c1CN(CCC(C)(C)C)CC2 ZINC000871620459 633804754 /nfs/dbraw/zinc/80/47/54/633804754.db2.gz BVZQGCCLTMBLPF-UHFFFAOYSA-N -1 3 291.391 3.188 20 0 CGADHM O=C([O-])C1CC(NCc2ccc(Oc3ccccc3)o2)C1 ZINC000871884181 633910506 /nfs/dbraw/zinc/91/05/06/633910506.db2.gz MAVFULDKLRNBJZ-UHFFFAOYSA-N -1 3 287.315 3.025 20 0 CGADHM CCc1[n-]n([C@H]2CCOC3(CCCC3)C2)c(=O)c1C(C)C ZINC000871964561 633931804 /nfs/dbraw/zinc/93/18/04/633931804.db2.gz SWFHREIVFKMGER-ZFWWWQNUSA-N -1 3 292.423 3.359 20 0 CGADHM Cc1ccc(CN[C@@H](C)c2cccc([O-])c2F)cn1 ZINC000872025802 633945665 /nfs/dbraw/zinc/94/56/65/633945665.db2.gz TYLJYMNNJGDLFK-NSHDSACASA-N -1 3 260.312 3.086 20 0 CGADHM O=C(CCCc1ccc([O-])c(F)c1)NCCC1CC=CC1 ZINC000831433613 633959932 /nfs/dbraw/zinc/95/99/32/633959932.db2.gz NQXGXKSPVYNMET-UHFFFAOYSA-N -1 3 291.366 3.327 20 0 CGADHM [O-]C(=NO[C@H]1CCCCO1)Nc1c(F)cccc1Cl ZINC000831630725 633987553 /nfs/dbraw/zinc/98/75/53/633987553.db2.gz LHDJWUZTVSARCQ-JTQLQIEISA-N -1 3 288.706 3.059 20 0 CGADHM O=C([N-]O[C@H]1CCCCO1)Nc1c(F)cccc1Cl ZINC000831630725 633987562 /nfs/dbraw/zinc/98/75/62/633987562.db2.gz LHDJWUZTVSARCQ-JTQLQIEISA-N -1 3 288.706 3.059 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)C[C@@H]1CSc2ccccc2O1 ZINC000832740634 634089364 /nfs/dbraw/zinc/08/93/64/634089364.db2.gz XGXVUOQHGHBULE-NWDGAFQWSA-N -1 3 295.404 3.024 20 0 CGADHM CC(C)OC1(CNC(=O)c2cc([O-])ccc2Cl)CCC1 ZINC000834580130 634189914 /nfs/dbraw/zinc/18/99/14/634189914.db2.gz GKSWRXVMLAURJL-UHFFFAOYSA-N -1 3 297.782 3.123 20 0 CGADHM CC(C)(Cc1ccc(Cl)cc1)C(=O)[N-]OCC(F)F ZINC000837531737 634927401 /nfs/dbraw/zinc/92/74/01/634927401.db2.gz BQTXWEQJFLHJOK-UHFFFAOYSA-N -1 3 291.725 3.222 20 0 CGADHM C[C@@H](CC(C)(C)C)C(=O)OCc1cc(=O)[n-]c(C2CC2)n1 ZINC000837643727 634956083 /nfs/dbraw/zinc/95/60/83/634956083.db2.gz INMCGIXQNZTCTO-JTQLQIEISA-N -1 3 292.379 3.175 20 0 CGADHM CCC[C@@](C)(CC)C(=O)OCc1cc(=O)[n-]c(C2CC2)n1 ZINC000837696460 634968153 /nfs/dbraw/zinc/96/81/53/634968153.db2.gz AOWFGZAEKBNULU-MRXNPFEDSA-N -1 3 292.379 3.319 20 0 CGADHM C[C@H](C1CC1)N(C(=O)c1ccc(N)cc1[O-])c1ccccc1 ZINC000877138665 634999006 /nfs/dbraw/zinc/99/90/06/634999006.db2.gz AKAACZTUQQMIOP-GFCCVEGCSA-N -1 3 296.370 3.420 20 0 CGADHM CCCCCC[C@H](C)c1nc(-c2cc(=O)[n-]cn2)no1 ZINC000843030318 635547076 /nfs/dbraw/zinc/54/70/76/635547076.db2.gz YHLWZAAPWFWUDM-JTQLQIEISA-N -1 3 276.340 3.306 20 0 CGADHM CCCCN(C)Cn1c(Cc2cccs2)n[n-]c1=S ZINC000127381881 635646109 /nfs/dbraw/zinc/64/61/09/635646109.db2.gz NXDIGYQHHDTGPS-UHFFFAOYSA-N -1 3 296.465 3.282 20 0 CGADHM O=C(CC[C@@H]1CCc2ccccc21)[N-]OCc1cccnc1 ZINC000879249126 635736459 /nfs/dbraw/zinc/73/64/59/635736459.db2.gz FNXKAHJEEAOKIW-INIZCTEOSA-N -1 3 296.370 3.140 20 0 CGADHM CCCO[N-]C(=O)Cc1coc2cc(C)c(C)cc12 ZINC000844079992 635815211 /nfs/dbraw/zinc/81/52/11/635815211.db2.gz APSAOPZUHNOQKH-UHFFFAOYSA-N -1 3 261.321 3.050 20 0 CGADHM CCCC(=O)O[C@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000005665905 636125112 /nfs/dbraw/zinc/12/51/12/636125112.db2.gz DYSODRHFGHTCKA-MRVPVSSYSA-N -1 3 294.376 3.006 20 0 CGADHM Cc1cccc(COC(=O)c2cc(Cl)c(Cl)[n-]2)n1 ZINC000129759202 636360669 /nfs/dbraw/zinc/36/06/69/636360669.db2.gz QQPBXUXNCCMFKX-UHFFFAOYSA-N -1 3 285.130 3.382 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)CCCc1c(F)cccc1F ZINC000848120451 636532903 /nfs/dbraw/zinc/53/29/03/636532903.db2.gz HLZNTZNSAGGPFE-LLVKDONJSA-N -1 3 285.334 3.381 20 0 CGADHM [O-]c1ccc(F)c(CNC[C@@H]2CCC3(CCCC3)O2)c1F ZINC000848929190 636699955 /nfs/dbraw/zinc/69/99/55/636699955.db2.gz UICOCSPDOALNAX-NSHDSACASA-N -1 3 297.345 3.252 20 0 CGADHM Cc1ccsc1CCCC(=O)[N-]OCc1cccnc1 ZINC000134151563 637001757 /nfs/dbraw/zinc/00/17/57/637001757.db2.gz BCBXVLRJLJJMGO-UHFFFAOYSA-N -1 3 290.388 3.022 20 0 CGADHM Cc1[nH]nc(NCc2cccc([O-])c2Br)c1C ZINC000886197589 637454579 /nfs/dbraw/zinc/45/45/79/637454579.db2.gz DYJSNRFSLCJXNF-UHFFFAOYSA-N -1 3 296.168 3.107 20 0 CGADHM CC1(C)C[C@@]1(NC(=O)c1ccc(N)cc1[O-])c1ccccc1 ZINC000852923872 637724034 /nfs/dbraw/zinc/72/40/34/637724034.db2.gz FPKBVHRUUBQOFY-GOSISDBHSA-N -1 3 296.370 3.030 20 0 CGADHM CCc1c(=O)n(C2CCSCC2)[n-]c1-c1ccccc1 ZINC000887293263 637791615 /nfs/dbraw/zinc/79/16/15/637791615.db2.gz YVYZAQJJYNWTJA-AWEZNQCLSA-N -1 3 288.416 3.155 20 0 CGADHM CCCC[C@@](C)(F)C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000854467745 638057019 /nfs/dbraw/zinc/05/70/19/638057019.db2.gz KRQCKRPSGHHICH-OAHLLOKOSA-N -1 3 281.327 3.452 20 0 CGADHM CCc1onc(C)c1[N-]C(=O)c1ncsc1C1CC1 ZINC000889740780 638110235 /nfs/dbraw/zinc/11/02/35/638110235.db2.gz MFZHKTCSFOSZMM-UHFFFAOYSA-N -1 3 277.349 3.132 20 0 CGADHM O=C([N-]OCC1CCC1)C12CC3CC(CC(C3)C1)C2 ZINC000856345279 638345649 /nfs/dbraw/zinc/34/56/49/638345649.db2.gz WWERDZYWEGOASS-UHFFFAOYSA-N -1 3 263.381 3.051 20 0 CGADHM Cc1nnc([C@H](C)N[C@H](C)c2cc([O-])cc(F)c2)s1 ZINC000926166923 638728285 /nfs/dbraw/zinc/72/82/85/638728285.db2.gz XJAHNSQPOCKQJI-SFYZADRCSA-N -1 3 281.356 3.103 20 0 CGADHM C[C@H](N[C@H](c1ncccn1)C1CC1)c1cc([O-])cc(F)c1 ZINC000926894973 638822535 /nfs/dbraw/zinc/82/25/35/638822535.db2.gz RPUXTJTULNPBLL-BONVTDFDSA-N -1 3 287.338 3.123 20 0 CGADHM COc1ccccc1CO[N-]C(=O)C[C@H](C)c1ccco1 ZINC000861520567 639592165 /nfs/dbraw/zinc/59/21/65/639592165.db2.gz FDWKHDCAEZUTJZ-LBPRGKRZSA-N -1 3 289.331 3.030 20 0 CGADHM CCc1oc2ccccc2c1CC(=O)[N-]OC/C=C/Cl ZINC000861782681 639613803 /nfs/dbraw/zinc/61/38/03/639613803.db2.gz HIRCUYZANDZKNL-VMPITWQZSA-N -1 3 293.750 3.338 20 0 CGADHM CCOc1cccc(CCC(=O)[N-]OC[C@H](C)CC)c1 ZINC000861809308 639614966 /nfs/dbraw/zinc/61/49/66/639614966.db2.gz QUMJDRQWDZIGPB-CYBMUJFWSA-N -1 3 279.380 3.112 20 0 CGADHM O=C(CC(C1CCC1)C1CCC1)[N-]OCC1CC1 ZINC000861824306 639616908 /nfs/dbraw/zinc/61/69/08/639616908.db2.gz RQQJMDSXFCALSF-UHFFFAOYSA-N -1 3 251.370 3.051 20 0 CGADHM Cc1cccc([O-])c1C(=O)NCC[C@]1(C)C[C@@]1(F)Cl ZINC000862124407 639648467 /nfs/dbraw/zinc/64/84/67/639648467.db2.gz LWYYCEYVEZGGTB-KGLIPLIRSA-N -1 3 285.746 3.135 20 0 CGADHM O=C(Nc1ccc(Cl)cc1[O-])c1cnn(C2CCC2)c1 ZINC000935099388 639748386 /nfs/dbraw/zinc/74/83/86/639748386.db2.gz HQNOOBQRVQHERD-UHFFFAOYSA-N -1 3 291.738 3.219 20 0 CGADHM O=C(Nc1cccc([O-])c1F)[C@@H](O)C1CCCCCCC1 ZINC000935134798 639753368 /nfs/dbraw/zinc/75/33/68/639753368.db2.gz LTUDIZVILFHHJR-HNNXBMFYSA-N -1 3 295.354 3.191 20 0 CGADHM CC(=O)c1cccc(NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)c1[O-] ZINC000935984576 639877224 /nfs/dbraw/zinc/87/72/24/639877224.db2.gz GYMSENWBNNMPGY-XYYAHUGASA-N -1 3 287.359 3.360 20 0 CGADHM O=C([O-])C[C@@H]1CCCCN1c1ccnc2ccccc21 ZINC000041719937 639907085 /nfs/dbraw/zinc/90/70/85/639907085.db2.gz VTYGSZVAJQCBJN-LBPRGKRZSA-N -1 3 270.332 3.068 20 0 CGADHM O=C(OCc1cccnc1)c1cc(Cl)c(Cl)[n-]1 ZINC000097061668 640854715 /nfs/dbraw/zinc/85/47/15/640854715.db2.gz CBTPRQCHKIWVGF-UHFFFAOYSA-N -1 3 271.103 3.074 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2ccccc2-n2cccc2)n1 ZINC001156121843 805655291 /nfs/dbraw/zinc/65/52/91/805655291.db2.gz FBALJUUHDQXIQI-UHFFFAOYSA-N -1 3 293.326 3.139 20 0 CGADHM O=c1cc(-c2nc3c(cc(F)cc3Cl)[n-]2)cc[nH]1 ZINC001250534228 805683154 /nfs/dbraw/zinc/68/31/54/805683154.db2.gz YDNDOILVVKJRNG-UHFFFAOYSA-N -1 3 263.659 3.123 20 0 CGADHM Cc1cc2cc(C(=O)Nc3nc(C)ccc3[O-])ccc2[nH]1 ZINC001156534642 805709976 /nfs/dbraw/zinc/70/99/76/805709976.db2.gz SRCCDDLWIUURTH-UHFFFAOYSA-N -1 3 281.315 3.138 20 0 CGADHM [O-]c1cnccc1-c1nc2c(cc(F)cc2C(F)(F)F)[nH]1 ZINC001250859322 805789292 /nfs/dbraw/zinc/78/92/92/805789292.db2.gz GHOGJPWNCJPEKT-UHFFFAOYSA-N -1 3 297.211 3.488 20 0 CGADHM [O-]c1cc(Cl)cc(-c2nc3cc4c(cc3[nH]2)OCO4)c1 ZINC001250906419 805795510 /nfs/dbraw/zinc/79/55/10/805795510.db2.gz OGAVDVJXYRPWIT-UHFFFAOYSA-N -1 3 288.690 3.318 20 0 CGADHM [O-]c1cc(-c2nc3ccc(F)cc3[nH]2)cc(F)c1F ZINC001251240011 805869139 /nfs/dbraw/zinc/86/91/39/805869139.db2.gz LNLOPIUFMVLLIS-UHFFFAOYSA-N -1 3 264.206 3.353 20 0 CGADHM Cc1cccc2c1nc(-c1cc([O-])cc(F)c1)n2C ZINC001251569450 805907731 /nfs/dbraw/zinc/90/77/31/805907731.db2.gz GGFPZYLGEMGGEX-UHFFFAOYSA-N -1 3 256.280 3.393 20 0 CGADHM CCC[C@H](NC(=O)c1ccc(OC)cc1[O-])C(C)(C)C ZINC001158429375 805952779 /nfs/dbraw/zinc/95/27/79/805952779.db2.gz LQGDJNJQKDUNAY-AWEZNQCLSA-N -1 3 279.380 3.345 20 0 CGADHM O=C(NC/C=C/Cl)c1cc([O-])c2ccccc2c1 ZINC001158553227 805966017 /nfs/dbraw/zinc/96/60/17/805966017.db2.gz WBTMBDDHLJAFEQ-ZZXKWVIFSA-N -1 3 261.708 3.028 20 0 CGADHM Cc1ccc(-c2nnc(-c3cc(O)ccc3[O-])o2)cc1 ZINC001252690000 806102766 /nfs/dbraw/zinc/10/27/66/806102766.db2.gz BRGBRKYCHHALHC-UHFFFAOYSA-N -1 3 268.272 3.123 20 0 CGADHM [O-]c1cccc(O)c1-c1nnc(-c2ccc(Cl)cc2)o1 ZINC001252716139 806105842 /nfs/dbraw/zinc/10/58/42/806105842.db2.gz YYGOVJMMEMILPT-UHFFFAOYSA-N -1 3 288.690 3.468 20 0 CGADHM Cc1cnccc1C(=O)Nc1c([O-])cccc1Cl ZINC001159658769 806142672 /nfs/dbraw/zinc/14/26/72/806142672.db2.gz WXQGWGRILSLDAG-UHFFFAOYSA-N -1 3 262.696 3.001 20 0 CGADHM CCCCS(=O)(=O)[N-]c1cc(Cl)cc2cnccc21 ZINC001253864060 806317088 /nfs/dbraw/zinc/31/70/88/806317088.db2.gz KPBYTBNRJNYIPH-UHFFFAOYSA-N -1 3 298.795 3.430 20 0 CGADHM CCCCS(=O)(=O)[N-]c1ccccc1-c1nccs1 ZINC001253871792 806317842 /nfs/dbraw/zinc/31/78/42/806317842.db2.gz YQRMGJKAUZKUTC-UHFFFAOYSA-N -1 3 296.417 3.352 20 0 CGADHM C[C@@H](CCc1ccccc1)Nc1ccccc1-c1nnn[n-]1 ZINC001161612661 806400342 /nfs/dbraw/zinc/40/03/42/806400342.db2.gz IZLXFIUXBDYPPX-ZDUSSCGKSA-N -1 3 293.374 3.300 20 0 CGADHM C[C@@H](CCc1ccccc1)Nc1ccccc1-c1nn[n-]n1 ZINC001161612661 806400347 /nfs/dbraw/zinc/40/03/47/806400347.db2.gz IZLXFIUXBDYPPX-ZDUSSCGKSA-N -1 3 293.374 3.300 20 0 CGADHM Cc1ccc([O-])c(-c2nnc([C@H]3C[C@H]3c3ccccc3)o2)n1 ZINC001254653452 806474931 /nfs/dbraw/zinc/47/49/31/806474931.db2.gz MPKZOURSQTUORL-STQMWFEESA-N -1 3 293.326 3.417 20 0 CGADHM C[C@H](CC(=O)[N-]OC(C)(C)C)c1ccc(F)cc1 ZINC000125942356 799003759 /nfs/dbraw/zinc/00/37/59/799003759.db2.gz ZSLMGLUBGHMPOY-SNVBAGLBSA-N -1 3 253.317 3.166 20 0 CGADHM [O-]c1ccc(NC(=S)NC2CCCCC2)cc1F ZINC000168955603 799086549 /nfs/dbraw/zinc/08/65/49/799086549.db2.gz DVWNQDDMOLKHIC-UHFFFAOYSA-N -1 3 268.357 3.150 20 0 CGADHM C[C@@H](NC1CCC(C)(C)CC1)c1ncc(C(=O)[O-])s1 ZINC000315420330 799236159 /nfs/dbraw/zinc/23/61/59/799236159.db2.gz WNDGNCUHGSVMMY-SECBINFHSA-N -1 3 282.409 3.461 20 0 CGADHM Cc1cccc(-c2noc(-c3c([O-])cccc3O)n2)c1C ZINC000405087593 799581021 /nfs/dbraw/zinc/58/10/21/799581021.db2.gz QOILHOCYNWDVNK-UHFFFAOYSA-N -1 3 282.299 3.432 20 0 CGADHM CCc1ccc(C(=O)N[C@H](COC)CC(C)(C)C)c([O-])c1 ZINC001163608026 806792078 /nfs/dbraw/zinc/79/20/78/806792078.db2.gz QWOHTKILYJFRHE-ZDUSSCGKSA-N -1 3 293.407 3.136 20 0 CGADHM C[C@@H]1CN(Cc2ccc(F)c(Cl)c2)C[C@H]1CC(=O)[O-] ZINC000722602933 800323271 /nfs/dbraw/zinc/32/32/71/800323271.db2.gz COVWWORQQHDVCM-MWLCHTKSSA-N -1 3 285.746 3.022 20 0 CGADHM O=C(CC1CCCCC1)OCc1cc(=O)[n-]c(C2CC2)n1 ZINC000837330254 800492794 /nfs/dbraw/zinc/49/27/94/800492794.db2.gz QYJLTLZMZCAACF-UHFFFAOYSA-N -1 3 290.363 3.073 20 0 CGADHM COCCCC[C@@H](Nc1cc(=O)[n-]cn1)c1ccccc1 ZINC000893599271 800574085 /nfs/dbraw/zinc/57/40/85/800574085.db2.gz ZMYBIJDMTDPRLS-CQSZACIVSA-N -1 3 287.363 3.152 20 0 CGADHM CSCCCNc1ccc2c(c1)[N-]C(=S)C2 ZINC001163879858 806843747 /nfs/dbraw/zinc/84/37/47/806843747.db2.gz NCBIYJMBRWPZQR-UHFFFAOYSA-N -1 3 252.408 3.147 20 0 CGADHM Cc1ccc2ccc(NCC[N-]C(=O)C(F)(F)F)cc2c1 ZINC001164251588 806924197 /nfs/dbraw/zinc/92/41/97/806924197.db2.gz YTGMKRBAFGMFAX-UHFFFAOYSA-N -1 3 296.292 3.239 20 0 CGADHM C[C@@H]1C[C@H]1c1nnc(-c2c([O-])cnc3ccccc32)o1 ZINC001256634983 806934579 /nfs/dbraw/zinc/93/45/79/806934579.db2.gz PUHPEBSQVDCFJT-PSASIEDQSA-N -1 3 267.288 3.114 20 0 CGADHM Cc1ccc(C(=O)N(C)Cc2cc3ccccc3[nH]2)c([O-])c1 ZINC001116224931 802313973 /nfs/dbraw/zinc/31/39/73/802313973.db2.gz FUQSKEPORSJYQG-UHFFFAOYSA-N -1 3 294.354 3.454 20 0 CGADHM CC(C)c1nc(C[N-]c2nnc(C(F)F)o2)cs1 ZINC001116742553 802402779 /nfs/dbraw/zinc/40/27/79/802402779.db2.gz WLARDGGVULGYKW-UHFFFAOYSA-N -1 3 274.296 3.199 20 0 CGADHM CCc1cccc(C(=O)N2CC(c3ccc(F)cc3)C2)c1[O-] ZINC001117807454 802501190 /nfs/dbraw/zinc/50/11/90/802501190.db2.gz QOMGKNULKSIMJM-UHFFFAOYSA-N -1 3 299.345 3.333 20 0 CGADHM CC[C@@H](C)C(=O)C(=O)[N-]c1cc(-c2ccc(F)cc2)no1 ZINC001184316786 810191264 /nfs/dbraw/zinc/19/12/64/810191264.db2.gz MXALPFIRGXGQBB-SECBINFHSA-N -1 3 290.294 3.034 20 0 CGADHM Cc1nc2cnc(-c3ccc([O-])cc3C(F)(F)F)nc2[nH]1 ZINC001205073661 812848999 /nfs/dbraw/zinc/84/89/99/812848999.db2.gz XGWYAWFDQLDAFQ-UHFFFAOYSA-N -1 3 294.236 3.004 20 0 CGADHM COc1cccc(C(F)(F)F)c1-c1ccc(=S)[n-]n1 ZINC001244083175 803175704 /nfs/dbraw/zinc/17/57/04/803175704.db2.gz GYCXFTFQBFSEGE-UHFFFAOYSA-N -1 3 286.278 3.460 20 0 CGADHM COCc1ccc(C)c(-c2cc(F)cc(-c3nnn[n-]3)c2)c1 ZINC001244172622 803223570 /nfs/dbraw/zinc/22/35/70/803223570.db2.gz PCBNZRNGQUDUAP-UHFFFAOYSA-N -1 3 298.321 3.128 20 0 CGADHM COCc1ccc(C)c(-c2cc(F)cc(-c3nn[n-]n3)c2)c1 ZINC001244172622 803223577 /nfs/dbraw/zinc/22/35/77/803223577.db2.gz PCBNZRNGQUDUAP-UHFFFAOYSA-N -1 3 298.321 3.128 20 0 CGADHM S=c1ccc(-c2ccccc2N2CCCC2)n[n-]1 ZINC001244180533 803229531 /nfs/dbraw/zinc/22/95/31/803229531.db2.gz MKTQAIMUSIITFB-UHFFFAOYSA-N -1 3 257.362 3.033 20 0 CGADHM CC(C)c1ccc(N)c(-c2ccc(-c3nnn[n-]3)cc2)c1 ZINC001244222468 803247648 /nfs/dbraw/zinc/24/76/48/803247648.db2.gz ITTUCDSMJQJOTK-UHFFFAOYSA-N -1 3 279.347 3.239 20 0 CGADHM CC(C)c1ccc(N)c(-c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001244222468 803247652 /nfs/dbraw/zinc/24/76/52/803247652.db2.gz ITTUCDSMJQJOTK-UHFFFAOYSA-N -1 3 279.347 3.239 20 0 CGADHM Cc1cnc(C)nc1-c1cc(OC(F)(F)F)ccc1[O-] ZINC001244455682 803377713 /nfs/dbraw/zinc/37/77/13/803377713.db2.gz JUWZALIOXICKAG-UHFFFAOYSA-N -1 3 284.237 3.365 20 0 CGADHM COC(=O)c1cccc(-c2ccc(Cl)cc2[O-])c1 ZINC001244470073 803386336 /nfs/dbraw/zinc/38/63/36/803386336.db2.gz YFRMFOMUEZJXBD-UHFFFAOYSA-N -1 3 262.692 3.499 20 0 CGADHM O=c1cc(-c2ccc(Cl)cc2[O-])cnn1CC1CCC1 ZINC001244470881 803387247 /nfs/dbraw/zinc/38/72/47/803387247.db2.gz AYMHRCREOSBZPZ-UHFFFAOYSA-N -1 3 290.750 3.069 20 0 CGADHM O=C1NCc2cccc(-c3ccc(Cl)cc3[O-])c2N1 ZINC001244471997 803388366 /nfs/dbraw/zinc/38/83/66/803388366.db2.gz JJTCGLOSCXBTPM-UHFFFAOYSA-N -1 3 274.707 3.348 20 0 CGADHM Nc1noc2cc(-c3ccc(Cl)cc3[O-])ccc12 ZINC001244472678 803388672 /nfs/dbraw/zinc/38/86/72/803388672.db2.gz PAAZIXSULFEHNT-UHFFFAOYSA-N -1 3 260.680 3.436 20 0 CGADHM CCC(=O)Nc1cc(-c2ccc(Cl)cc2[O-])ccn1 ZINC001244473328 803388904 /nfs/dbraw/zinc/38/89/04/803388904.db2.gz VOLWBRKJPMIHDL-UHFFFAOYSA-N -1 3 276.723 3.456 20 0 CGADHM COC(=O)c1cc(-c2ccc(Cl)cc2[O-])cnc1C ZINC001244473361 803389011 /nfs/dbraw/zinc/38/90/11/803389011.db2.gz RENZZVGKXMNWAM-UHFFFAOYSA-N -1 3 277.707 3.203 20 0 CGADHM O=c1ccc(-c2ccc(Cl)cc2[O-])cn1CC1CC1 ZINC001244472876 803389048 /nfs/dbraw/zinc/38/90/48/803389048.db2.gz RRSQFSCAEAZWFJ-UHFFFAOYSA-N -1 3 275.735 3.284 20 0 CGADHM Cc1ccc(-c2ccc3c(c2)[N-]C(=S)C3)c(CO)c1 ZINC001244491570 803400567 /nfs/dbraw/zinc/40/05/67/803400567.db2.gz OYKLWKAIIFSRJV-UHFFFAOYSA-N -1 3 269.369 3.450 20 0 CGADHM CCOC(=O)c1ccc(-c2cc(C)c(F)c([O-])c2)nc1C ZINC001244495157 803402973 /nfs/dbraw/zinc/40/29/73/803402973.db2.gz DNJKFSYVPXFKOL-UHFFFAOYSA-N -1 3 289.306 3.387 20 0 CGADHM Cc1cc(-c2cc3ccccc3nn2)cc([O-])c1F ZINC001244505307 803409966 /nfs/dbraw/zinc/40/99/66/803409966.db2.gz BAAJTYHBUCXTNO-UHFFFAOYSA-N -1 3 254.264 3.450 20 0 CGADHM COc1cc(-c2cc(C)c(F)c([O-])c2)c(F)cn1 ZINC001244521765 803415250 /nfs/dbraw/zinc/41/52/50/803415250.db2.gz XDVFIYJGNYEZON-UHFFFAOYSA-N -1 3 251.232 3.049 20 0 CGADHM Cc1cc(-c2ccnc3c2ccn3C)cc([O-])c1F ZINC001244525317 803418609 /nfs/dbraw/zinc/41/86/09/803418609.db2.gz PKDCIYLCLPURNX-UHFFFAOYSA-N -1 3 256.280 3.393 20 0 CGADHM Cc1cc(-c2cccc3c2CC(=O)NC3)cc(Cl)c1[O-] ZINC001244556585 803437289 /nfs/dbraw/zinc/43/72/89/803437289.db2.gz WTQJVWARXFNZRN-UHFFFAOYSA-N -1 3 287.746 3.193 20 0 CGADHM Cc1ncc(Nc2c(F)cccc2OC(C)C)c(=O)[n-]1 ZINC001211777780 814941006 /nfs/dbraw/zinc/94/10/06/814941006.db2.gz DZHWJODHHYEHKZ-UHFFFAOYSA-N -1 3 277.299 3.161 20 0 CGADHM Cc1c(F)cncc1-c1cc(C(F)(F)F)[n-]c(=S)n1 ZINC001244833071 803542770 /nfs/dbraw/zinc/54/27/70/803542770.db2.gz RMYXXUGXIXPMPY-UHFFFAOYSA-N -1 3 289.257 3.294 20 0 CGADHM COc1cc(F)c(C(=O)[N-]c2cc(C(C)C)on2)c(F)c1 ZINC001135365039 803590258 /nfs/dbraw/zinc/59/02/58/803590258.db2.gz VNEJUTRETFLKID-UHFFFAOYSA-N -1 3 296.273 3.337 20 0 CGADHM Cc1c(Cl)cccc1-c1cccc(-c2nnn[n-]2)c1 ZINC001244965000 803595755 /nfs/dbraw/zinc/59/57/55/803595755.db2.gz KEFGBDGPOWFWNK-UHFFFAOYSA-N -1 3 270.723 3.496 20 0 CGADHM Cc1c(Cl)cccc1-c1cccc(-c2nn[n-]n2)c1 ZINC001244965000 803595759 /nfs/dbraw/zinc/59/57/59/803595759.db2.gz KEFGBDGPOWFWNK-UHFFFAOYSA-N -1 3 270.723 3.496 20 0 CGADHM Cc1cccc(OCCCNC(=O)c2c(C)cccc2[O-])c1 ZINC001135787844 803612590 /nfs/dbraw/zinc/61/25/90/803612590.db2.gz NQRAZSBKIYZDNB-UHFFFAOYSA-N -1 3 299.370 3.208 20 0 CGADHM CCNC(=O)c1ccccc1-c1cc(Cl)ccc1[O-] ZINC001245050855 803623072 /nfs/dbraw/zinc/62/30/72/803623072.db2.gz OCDCQVSXGBTLFD-UHFFFAOYSA-N -1 3 275.735 3.462 20 0 CGADHM COc1cc(-c2cc(Cl)ccc2[O-])c(OC)cn1 ZINC001245058098 803625636 /nfs/dbraw/zinc/62/56/36/803625636.db2.gz SFELGQQCUSHNQT-UHFFFAOYSA-N -1 3 265.696 3.125 20 0 CGADHM [O-]c1ccc(-c2cncc3nccnc32)c(Cl)c1 ZINC001245081880 803636281 /nfs/dbraw/zinc/63/62/81/803636281.db2.gz MOZZVJVYCRGXMH-UHFFFAOYSA-N -1 3 257.680 3.051 20 0 CGADHM COC(=O)c1ccnc(-c2ccc([O-])cc2Cl)c1C ZINC001245081760 803636568 /nfs/dbraw/zinc/63/65/68/803636568.db2.gz LUPRSOVKXIWSLR-UHFFFAOYSA-N -1 3 277.707 3.203 20 0 CGADHM C[C@H]1CCCC[C@@H]1CCNC(=O)c1ccc(O)cc1[O-] ZINC001136790705 803652682 /nfs/dbraw/zinc/65/26/82/803652682.db2.gz CQIHPGZWPPRKII-NWDGAFQWSA-N -1 3 277.364 3.044 20 0 CGADHM [O-]c1cccc(F)c1NC(=S)NCCc1ccccc1 ZINC001245320869 803700231 /nfs/dbraw/zinc/70/02/31/803700231.db2.gz PNDMRSPDYKGKPE-UHFFFAOYSA-N -1 3 290.363 3.060 20 0 CGADHM CN(C)Cc1cccc(-c2ccc(C(=O)[O-])cc2Cl)n1 ZINC001245372425 803718177 /nfs/dbraw/zinc/71/81/77/803718177.db2.gz MPXWVZAYDIFFBT-UHFFFAOYSA-N -1 3 290.750 3.162 20 0 CGADHM [O-]c1ccc(Nc2cn3ccccc3n2)c(F)c1F ZINC001212005808 814965481 /nfs/dbraw/zinc/96/54/81/814965481.db2.gz VVFGTHVMYJOGEI-UHFFFAOYSA-N -1 3 261.231 3.062 20 0 CGADHM [O-]c1ccc(Nc2c(CO)ccc(F)c2F)c(F)c1F ZINC001212013676 814966450 /nfs/dbraw/zinc/96/64/50/814966450.db2.gz DMPCMSIHXZZBDX-UHFFFAOYSA-N -1 3 287.212 3.185 20 0 CGADHM CN(C)C(=O)c1ccccc1Nc1ccc([O-])c(F)c1F ZINC001212009236 814966748 /nfs/dbraw/zinc/96/67/48/814966748.db2.gz KOZOEQGBDRUGGR-UHFFFAOYSA-N -1 3 292.285 3.116 20 0 CGADHM COC(=O)c1ccc(F)c(Nc2ccc([O-])c(F)c2F)c1 ZINC001212010905 814966921 /nfs/dbraw/zinc/96/69/21/814966921.db2.gz GMQCRNFEYATRBB-UHFFFAOYSA-N -1 3 297.232 3.340 20 0 CGADHM O=C1Cc2cc(F)cc(Nc3ccc([O-])c(F)c3F)c2N1 ZINC001212011172 814967253 /nfs/dbraw/zinc/96/72/53/814967253.db2.gz WLHIAMYQAYYEDG-UHFFFAOYSA-N -1 3 294.232 3.048 20 0 CGADHM [O-]c1ccc(Nc2ccc3c(c2)[C@@H](O)CC3)c(F)c1F ZINC001212016402 814968196 /nfs/dbraw/zinc/96/81/96/814968196.db2.gz OJUBFVPIHSKAAW-LBPRGKRZSA-N -1 3 277.270 3.394 20 0 CGADHM CC(=O)N1CCCc2ccc(-c3c([O-])cccc3F)cc21 ZINC001245655595 803887923 /nfs/dbraw/zinc/88/79/23/803887923.db2.gz ZXCZTSAHRYAUOB-UHFFFAOYSA-N -1 3 285.318 3.497 20 0 CGADHM COC(=O)CCc1ccccc1-c1c([O-])cccc1F ZINC001245655332 803889175 /nfs/dbraw/zinc/88/91/75/803889175.db2.gz IWNMEIJCKPNABW-UHFFFAOYSA-N -1 3 274.291 3.304 20 0 CGADHM C[S@](=N)(=O)c1ccc(-c2c([O-])cccc2F)cc1 ZINC001245656410 803890588 /nfs/dbraw/zinc/89/05/88/803890588.db2.gz QHQZGZGUDJHXJI-SFHVURJKSA-N -1 3 265.309 3.234 20 0 CGADHM COC(=O)c1noc2ccc(-c3c([O-])cccc3F)cc21 ZINC001245656252 803891295 /nfs/dbraw/zinc/89/12/95/803891295.db2.gz HETUMERQDPPURE-UHFFFAOYSA-N -1 3 287.246 3.126 20 0 CGADHM Cc1c(F)ccc(-c2ccc(Cc3nnn[n-]3)cc2)c1F ZINC001245692028 803912842 /nfs/dbraw/zinc/91/28/42/803912842.db2.gz DRWSRQVLIUUVKU-UHFFFAOYSA-N -1 3 286.285 3.044 20 0 CGADHM Cc1c(F)ccc(-c2ccc(Cc3nn[n-]n3)cc2)c1F ZINC001245692028 803912846 /nfs/dbraw/zinc/91/28/46/803912846.db2.gz DRWSRQVLIUUVKU-UHFFFAOYSA-N -1 3 286.285 3.044 20 0 CGADHM CC(C)[C@H]1CCC[C@@H](NC(=O)c2ccc(O)cc2[O-])CC1 ZINC001138508161 803955050 /nfs/dbraw/zinc/95/50/50/803955050.db2.gz PUFDLTREILCEPB-QWHCGFSZSA-N -1 3 291.391 3.433 20 0 CGADHM Cc1nc(Cl)ccc1-c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001245774787 803956531 /nfs/dbraw/zinc/95/65/31/803956531.db2.gz DMUCEKVXNCDONT-UHFFFAOYSA-N -1 3 289.701 3.030 20 0 CGADHM Cc1nc(Cl)ccc1-c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001245774787 803956545 /nfs/dbraw/zinc/95/65/45/803956545.db2.gz DMUCEKVXNCDONT-UHFFFAOYSA-N -1 3 289.701 3.030 20 0 CGADHM CCc1cc(-c2ccc(F)c(-c3nnn[n-]3)c2)ccc1OC ZINC001245790794 803963346 /nfs/dbraw/zinc/96/33/46/803963346.db2.gz CXZZUWWOEDLJHY-UHFFFAOYSA-N -1 3 298.321 3.244 20 0 CGADHM CCc1cc(-c2ccc(F)c(-c3nn[n-]n3)c2)ccc1OC ZINC001245790794 803963355 /nfs/dbraw/zinc/96/33/55/803963355.db2.gz CXZZUWWOEDLJHY-UHFFFAOYSA-N -1 3 298.321 3.244 20 0 CGADHM Cc1nc(Nc2cc(OC(C)C)ccc2F)cc(=O)[n-]1 ZINC001212308102 815003756 /nfs/dbraw/zinc/00/37/56/815003756.db2.gz IAFOPQJZSNVVMQ-UHFFFAOYSA-N -1 3 277.299 3.161 20 0 CGADHM Cc1[nH]c(CN2CCC3(CC(F)C3)CC2)c(C)c1C(=O)[O-] ZINC001140501352 804449036 /nfs/dbraw/zinc/44/90/36/804449036.db2.gz UEDKCUAVRXPKIW-UHFFFAOYSA-N -1 3 294.370 3.044 20 0 CGADHM CCc1ccc(C(=O)NCc2ccc(F)cc2F)c([O-])c1 ZINC001141499747 804648546 /nfs/dbraw/zinc/64/85/46/804648546.db2.gz PSSVHURTHKUQIA-UHFFFAOYSA-N -1 3 291.297 3.163 20 0 CGADHM CC/C=C(\F)C(=O)Nc1ccc(Br)cc1[O-] ZINC001141622598 804657403 /nfs/dbraw/zinc/65/74/03/804657403.db2.gz LRYGPEZCEKMISN-BAQGIRSFSA-N -1 3 288.116 3.357 20 0 CGADHM CC(=O)c1cccc(NC(=O)C(C)=Cc2ccccn2)c1[O-] ZINC001141649773 804660876 /nfs/dbraw/zinc/66/08/76/804660876.db2.gz UKWIFLRIUJSRIT-ZHACJKMWSA-N -1 3 296.326 3.032 20 0 CGADHM C[C@@H]1CN(Cc2c(Cl)cc([O-])cc2Cl)[C@H](C)CO1 ZINC001142118075 804696373 /nfs/dbraw/zinc/69/63/73/804696373.db2.gz ANOMXVFRVCGKRJ-RKDXNWHRSA-N -1 3 290.190 3.308 20 0 CGADHM Cc1sc(Nc2cc(F)cc(F)c2[O-])c(C(N)=O)c1C ZINC001212477415 815033803 /nfs/dbraw/zinc/03/38/03/815033803.db2.gz DAUILXYGUJTCEG-UHFFFAOYSA-N -1 3 298.314 3.191 20 0 CGADHM [O-]c1c(F)cc(F)cc1Nc1nccnc1C(F)(F)F ZINC001212481774 815036043 /nfs/dbraw/zinc/03/60/43/815036043.db2.gz IROKKGKRVAZTGG-UHFFFAOYSA-N -1 3 291.179 3.223 20 0 CGADHM O=C([O-])c1cc(Cl)ccc1CN1C2CCC1CC2 ZINC001142656391 804750280 /nfs/dbraw/zinc/75/02/80/804750280.db2.gz GCXFVDOBRBJLEF-UHFFFAOYSA-N -1 3 265.740 3.165 20 0 CGADHM CC(C)c1ccc(-c2noc(C3CC(=O)C=C([O-])C3)n2)cc1 ZINC001247546980 804773744 /nfs/dbraw/zinc/77/37/44/804773744.db2.gz OLBPVSNFJOISRM-UHFFFAOYSA-N -1 3 298.342 3.266 20 0 CGADHM [O-]c1c(F)cc(F)cc1Nc1nsc2ncccc12 ZINC001212481675 815036614 /nfs/dbraw/zinc/03/66/14/815036614.db2.gz CVZPYEPBYFWRSO-UHFFFAOYSA-N -1 3 279.271 3.419 20 0 CGADHM Cc1nc(NC(=O)CCc2ccc(C(C)C)cc2)cc(=O)[n-]1 ZINC001143254734 804828506 /nfs/dbraw/zinc/82/85/06/804828506.db2.gz ZMZKSXVBWVQXNZ-UHFFFAOYSA-N -1 3 299.374 3.185 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)Nc1cccc2[nH]ccc21 ZINC001143361419 804838514 /nfs/dbraw/zinc/83/85/14/804838514.db2.gz IEWGJJNOWFSNQQ-UHFFFAOYSA-N -1 3 284.290 3.194 20 0 CGADHM Nc1ccc(-c2nccn2-c2cc(F)cc(F)c2[O-])cc1 ZINC001212489743 815039495 /nfs/dbraw/zinc/03/94/95/815039495.db2.gz YVRGJIPELCYMPL-UHFFFAOYSA-N -1 3 287.269 3.105 20 0 CGADHM Nc1cccc2c(Cl)nn(-c3cc(F)cc(F)c3[O-])c21 ZINC001212491111 815039973 /nfs/dbraw/zinc/03/99/73/815039973.db2.gz JAKINSAXXIWHPH-UHFFFAOYSA-N -1 3 295.676 3.245 20 0 CGADHM C[C@@H]1CCN(Cc2c(F)cc([O-])cc2F)[C@H](C)C1 ZINC001144555177 805003707 /nfs/dbraw/zinc/00/37/07/805003707.db2.gz YNSZGOZPEDUONM-NXEZZACHSA-N -1 3 255.308 3.291 20 0 CGADHM [O-]c1cc(F)c(CN2CCC[C@@H]3CCC[C@@H]32)c(F)c1 ZINC001144559118 805004633 /nfs/dbraw/zinc/00/46/33/805004633.db2.gz IYUZJDVFXKQUHJ-BONVTDFDSA-N -1 3 267.319 3.435 20 0 CGADHM CC[C@H](C)CCNC(=O)c1cc(SC)ccc1[O-] ZINC001146517739 805072272 /nfs/dbraw/zinc/07/22/72/805072272.db2.gz MTBHFJMBGPFTML-JTQLQIEISA-N -1 3 267.394 3.280 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2ccccc2C2CC2)n1 ZINC001148474063 805184950 /nfs/dbraw/zinc/18/49/50/805184950.db2.gz BRKBRVIRWNVXQC-UHFFFAOYSA-N -1 3 268.316 3.225 20 0 CGADHM Cc1ccc(C(=O)N2CCCC[C@@](C)(F)C2)c([O-])c1 ZINC001148498203 805190198 /nfs/dbraw/zinc/19/01/98/805190198.db2.gz DKIGGPLKKQUBGV-OAHLLOKOSA-N -1 3 265.328 3.055 20 0 CGADHM Cc1nc2ccccc2c(C(=O)N(C)C(C)(C)C)c1[O-] ZINC001149199389 805224889 /nfs/dbraw/zinc/22/48/89/805224889.db2.gz PXEGGPZFZRLTQJ-UHFFFAOYSA-N -1 3 272.348 3.119 20 0 CGADHM Nc1ncc(Nc2cccc([O-])c2Br)cc1F ZINC001249771276 805240137 /nfs/dbraw/zinc/24/01/37/805240137.db2.gz NZLWJDLRLRSNLR-UHFFFAOYSA-N -1 3 298.115 3.015 20 0 CGADHM Cc1ccc2[nH]c(Nc3ccc(C(N)=O)c([O-])c3)cc2c1 ZINC001249851750 805260906 /nfs/dbraw/zinc/26/09/06/805260906.db2.gz MQKCSTNEPLBEPE-UHFFFAOYSA-N -1 3 281.315 3.024 20 0 CGADHM Cc1c2cc(C)ccc2oc1C(=O)Nc1ncccc1[O-] ZINC001150770282 805268584 /nfs/dbraw/zinc/26/85/84/805268584.db2.gz GRPIWUDDCYTARX-UHFFFAOYSA-N -1 3 282.299 3.403 20 0 CGADHM Cc1c2cc(C)ccc2oc1C(=O)NCc1ncccc1[O-] ZINC001150785017 805270037 /nfs/dbraw/zinc/27/00/37/805270037.db2.gz PVLDTVOYVLTRMX-UHFFFAOYSA-N -1 3 296.326 3.080 20 0 CGADHM COc1ccccc1C(=O)Cc1c(F)ccc([O-])c1F ZINC001249887152 805279341 /nfs/dbraw/zinc/27/93/41/805279341.db2.gz BNJYCHGKDZDNHH-UHFFFAOYSA-N -1 3 278.254 3.104 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2c[nH]c3c2cccc3C)n1 ZINC001151948982 805324994 /nfs/dbraw/zinc/32/49/94/805324994.db2.gz UELBKGJPIQGKAT-UHFFFAOYSA-N -1 3 281.315 3.138 20 0 CGADHM CCOC(=O)CCCCc1ccc(Cl)c([O-])c1 ZINC001249981300 805340944 /nfs/dbraw/zinc/34/09/44/805340944.db2.gz OSBXHHKULOTOHW-UHFFFAOYSA-N -1 3 256.729 3.322 20 0 CGADHM O=C(Nc1cc([O-])cc(Cl)c1)c1c[nH]c2cccnc12 ZINC001153244945 805388318 /nfs/dbraw/zinc/38/83/18/805388318.db2.gz GJDDXOTVDWQCAK-UHFFFAOYSA-N -1 3 287.706 3.174 20 0 CGADHM CC1CC(N(C)C(=O)c2c(O)cc3ccccc3c2[O-])C1 ZINC001154024564 805427723 /nfs/dbraw/zinc/42/77/23/805427723.db2.gz JCAZHOYTPPGJEY-UHFFFAOYSA-N -1 3 285.343 3.122 20 0 CGADHM CC(C)(NC(=O)c1c(O)cc2ccccc2c1[O-])C1CC1 ZINC001154028564 805429043 /nfs/dbraw/zinc/42/90/43/805429043.db2.gz YXMWWCIXOLRMSD-UHFFFAOYSA-N -1 3 285.343 3.169 20 0 CGADHM [O-]c1cc(Nc2cnc(Cl)cn2)ccc1Cl ZINC001212587943 815076918 /nfs/dbraw/zinc/07/69/18/815076918.db2.gz BGNNWSLFESJVEA-UHFFFAOYSA-N -1 3 256.092 3.233 20 0 CGADHM [O-]c1ccc(Cc2cccnc2)cc1C(F)(F)F ZINC001250170790 805457807 /nfs/dbraw/zinc/45/78/07/805457807.db2.gz DIHFWHJMSDMXLQ-UHFFFAOYSA-N -1 3 253.223 3.397 20 0 CGADHM COc1ncc(F)cc1Nc1ccc(Cl)c([O-])c1 ZINC001212589558 815077942 /nfs/dbraw/zinc/07/79/42/815077942.db2.gz ROZRXEUBILXMBH-UHFFFAOYSA-N -1 3 268.675 3.332 20 0 CGADHM COc1cccc(-c2nnc(C3CCCC3)o2)c1[O-] ZINC001257499676 807181754 /nfs/dbraw/zinc/18/17/54/807181754.db2.gz MIKZZGLNNVKVKB-UHFFFAOYSA-N -1 3 260.293 3.108 20 0 CGADHM CCc1ccc(C(=O)N[C@H](C(C)C)C2CC2)c([O-])c1 ZINC001167514862 807200946 /nfs/dbraw/zinc/20/09/46/807200946.db2.gz ZLHOSUDMXWRQBB-OAHLLOKOSA-N -1 3 261.365 3.119 20 0 CGADHM [O-]c1cc(Cl)cnc1Nc1cccnc1C1CC1 ZINC001212736122 815118233 /nfs/dbraw/zinc/11/82/33/815118233.db2.gz KDXRWPMINIJCLX-UHFFFAOYSA-N -1 3 261.712 3.457 20 0 CGADHM [O-]c1cccnc1CNc1csc2c1ncnc2Cl ZINC001169734044 807701229 /nfs/dbraw/zinc/70/12/29/807701229.db2.gz UQOXCTRRKCINAG-UHFFFAOYSA-N -1 3 292.751 3.057 20 0 CGADHM COC1(CN(C)Cc2cc(C(=O)[O-])c(C)o2)CCCCC1 ZINC001262156550 807828537 /nfs/dbraw/zinc/82/85/37/807828537.db2.gz WNEIPQWAMRYWOB-UHFFFAOYSA-N -1 3 295.379 3.067 20 0 CGADHM Cc1cc(=O)[n-]c(CN2Cc3cccc(C)c3CC2(C)C)n1 ZINC001170501682 807848960 /nfs/dbraw/zinc/84/89/60/807848960.db2.gz RNRYHBWHDQAZFE-UHFFFAOYSA-N -1 3 297.402 3.136 20 0 CGADHM Cc1cnc(F)cc1Nc1ncc(Br)cc1[O-] ZINC001212846664 815155241 /nfs/dbraw/zinc/15/52/41/815155241.db2.gz DXNBDVGQARZTMY-UHFFFAOYSA-N -1 3 298.115 3.136 20 0 CGADHM Cc1nsc([N-]c2ccc(Br)cc2F)n1 ZINC001212868449 815166412 /nfs/dbraw/zinc/16/64/12/815166412.db2.gz RJLYPWWBYVYHOI-UHFFFAOYSA-N -1 3 288.145 3.492 20 0 CGADHM [O-]c1cc(F)c(Nc2cc(F)nc(F)c2)cc1F ZINC001213083799 815227886 /nfs/dbraw/zinc/22/78/86/815227886.db2.gz TWUOJEQYUCJEAC-UHFFFAOYSA-N -1 3 258.174 3.087 20 0 CGADHM COc1cccc(Nc2ccc([O-])c(F)c2F)c1 ZINC001173825700 808691064 /nfs/dbraw/zinc/69/10/64/808691064.db2.gz ROFDPSZNLSIHQP-UHFFFAOYSA-N -1 3 251.232 3.423 20 0 CGADHM COc1ccc(OC)c(Nc2ncc(Cl)cc2[O-])c1 ZINC001173917391 808758920 /nfs/dbraw/zinc/75/89/20/808758920.db2.gz STHJOSVVKWVVAT-UHFFFAOYSA-N -1 3 280.711 3.201 20 0 CGADHM O=c1cc(Nc2cc(F)ccc2F)nc(C2CC2)[n-]1 ZINC001173951239 808780651 /nfs/dbraw/zinc/78/06/51/808780651.db2.gz XOAIDOSZAMPFMO-UHFFFAOYSA-N -1 3 263.247 3.081 20 0 CGADHM Nc1ncc2cc(Nc3cccc([O-])c3Cl)ccc2n1 ZINC001213112567 815237572 /nfs/dbraw/zinc/23/75/72/815237572.db2.gz UQWPCAWHJAXJOX-UHFFFAOYSA-N -1 3 286.722 3.315 20 0 CGADHM CS(=O)(=O)c1cccc(Nc2cccc([O-])c2Cl)c1 ZINC001174028030 808830249 /nfs/dbraw/zinc/83/02/49/808830249.db2.gz CUVHXGNGNXRIPP-UHFFFAOYSA-N -1 3 297.763 3.193 20 0 CGADHM [O-]c1cc(Nc2ccc3nccn3c2)cc(F)c1F ZINC001174277648 808924966 /nfs/dbraw/zinc/92/49/66/808924966.db2.gz KMKWRTNYDJPNAM-UHFFFAOYSA-N -1 3 261.231 3.062 20 0 CGADHM COc1cc(Nc2cccc(Cl)c2[O-])ccn1 ZINC001174306532 808945644 /nfs/dbraw/zinc/94/56/44/808945644.db2.gz HCWPLAJYLIKNDE-UHFFFAOYSA-N -1 3 250.685 3.193 20 0 CGADHM Cn1nc(C(F)(F)F)cc1Nc1cc(F)cc(F)c1[O-] ZINC001174327711 808952570 /nfs/dbraw/zinc/95/25/70/808952570.db2.gz AZOZMBQBRHPBIC-UHFFFAOYSA-N -1 3 293.195 3.166 20 0 CGADHM Cc1ncc(Nc2cccc(C(F)F)c2)c(=O)[n-]1 ZINC001174620922 809107646 /nfs/dbraw/zinc/10/76/46/809107646.db2.gz IMKYWQMNUURKKM-UHFFFAOYSA-N -1 3 251.236 3.172 20 0 CGADHM CCO[C@H](C)n1cc(Nc2cc(F)c([O-])c(F)c2)cn1 ZINC001174700249 809136161 /nfs/dbraw/zinc/13/61/61/809136161.db2.gz UJUXYKJRFPBRHA-MRVPVSSYSA-N -1 3 283.278 3.166 20 0 CGADHM O=C1CCc2c1cccc2Nc1ccc([O-])c(F)c1 ZINC001174737819 809147359 /nfs/dbraw/zinc/14/73/59/809147359.db2.gz FGHJMFCTFNUHIF-UHFFFAOYSA-N -1 3 257.264 3.404 20 0 CGADHM CSc1c(F)cccc1[N-]C(=O)c1cscn1 ZINC001278909014 809155922 /nfs/dbraw/zinc/15/59/22/809155922.db2.gz DRGWSAUAFSLCRN-UHFFFAOYSA-N -1 3 268.338 3.256 20 0 CGADHM CN(C)c1ccc(Nc2ncc(Cl)cc2[O-])cc1 ZINC001174877408 809186235 /nfs/dbraw/zinc/18/62/35/809186235.db2.gz ZLAHEIQTRIUFHQ-UHFFFAOYSA-N -1 3 263.728 3.250 20 0 CGADHM O=C1CCc2ccc(Nc3cc(F)c([O-])c(F)c3)cc2N1 ZINC001213382083 815274620 /nfs/dbraw/zinc/27/46/20/815274620.db2.gz ZFQMVDQXJOACSX-UHFFFAOYSA-N -1 3 290.269 3.299 20 0 CGADHM [O-]c1c(F)cc(Nc2cccc(C3=NCCO3)c2)cc1F ZINC001213388923 815275580 /nfs/dbraw/zinc/27/55/80/815275580.db2.gz SZUBNXSWQJKGFJ-UHFFFAOYSA-N -1 3 290.269 3.191 20 0 CGADHM NC(=O)c1ccc(Nc2c(F)cc([O-])cc2F)cc1Cl ZINC001175098143 809269530 /nfs/dbraw/zinc/26/95/30/809269530.db2.gz ZGCNUSLHOMWOLQ-UHFFFAOYSA-N -1 3 298.676 3.166 20 0 CGADHM O=C1NCc2ccc(Nc3cc(F)c([O-])c(F)c3)cc2N1 ZINC001213388757 815275687 /nfs/dbraw/zinc/27/56/87/815275687.db2.gz LBSYCPUQKWBXTM-UHFFFAOYSA-N -1 3 291.257 3.049 20 0 CGADHM Cn1ncc2c1cccc2Nc1c(F)cc([O-])cc1F ZINC001175100415 809270899 /nfs/dbraw/zinc/27/08/99/809270899.db2.gz TUGRORVXITWYBG-UHFFFAOYSA-N -1 3 275.258 3.301 20 0 CGADHM [O-]c1cc(F)c(Nc2ccc(CO)c(F)c2)c(F)c1 ZINC001175102284 809273312 /nfs/dbraw/zinc/27/33/12/809273312.db2.gz GHNOSUJVMCCAGK-UHFFFAOYSA-N -1 3 269.222 3.045 20 0 CGADHM Cc1cc(OCc2ccccc2)ccc1[N-]c1nonc1N ZINC001175226919 809316411 /nfs/dbraw/zinc/31/64/11/809316411.db2.gz NYWOJMPSGTWFJG-UHFFFAOYSA-N -1 3 296.330 3.283 20 0 CGADHM [O-]c1ccc(F)c(Nc2c(F)cnc(F)c2F)c1F ZINC001175262522 809327696 /nfs/dbraw/zinc/32/76/96/809327696.db2.gz IFSNMZVSVUZBCA-UHFFFAOYSA-N -1 3 276.164 3.226 20 0 CGADHM COc1cc(Cl)ncc1Nc1c(F)ccc([O-])c1F ZINC001175266667 809330775 /nfs/dbraw/zinc/33/07/75/809330775.db2.gz WHSJNVKGJLYZIJ-UHFFFAOYSA-N -1 3 286.665 3.471 20 0 CGADHM CSc1cccc(Nc2ncc(F)cc2[O-])c1 ZINC001175289062 809340526 /nfs/dbraw/zinc/34/05/26/809340526.db2.gz MOGQRKJWGRZWEX-UHFFFAOYSA-N -1 3 250.298 3.392 20 0 CGADHM CC(C)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)n1 ZINC001175425132 809400101 /nfs/dbraw/zinc/40/01/01/809400101.db2.gz NLEVDSQQSPSTKZ-UHFFFAOYSA-N -1 3 280.335 3.129 20 0 CGADHM c1cc(-c2nn[n-]n2)ccc1Nc1ccc(C2CCC2)nc1 ZINC001175428335 809401366 /nfs/dbraw/zinc/40/13/66/809401366.db2.gz YOHOUMOERPWPBQ-UHFFFAOYSA-N -1 3 292.346 3.273 20 0 CGADHM Fc1cc(Cl)cc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001175429227 809401596 /nfs/dbraw/zinc/40/15/96/809401596.db2.gz SJFJBVORUDNNSZ-UHFFFAOYSA-N -1 3 289.701 3.403 20 0 CGADHM CC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1C ZINC001175431771 809402596 /nfs/dbraw/zinc/40/25/96/809402596.db2.gz MSKFGNUFPGWEEN-UHFFFAOYSA-N -1 3 293.330 3.121 20 0 CGADHM COc1cc(C)c(Nc2ccc(-c3nn[n-]n3)cc2)c(C)c1 ZINC001175430894 809402883 /nfs/dbraw/zinc/40/28/83/809402883.db2.gz ZYDOBRZIOWFSHB-UHFFFAOYSA-N -1 3 295.346 3.236 20 0 CGADHM COc1ccc(C(=O)NCC2CCCCCCC2)c([O-])c1 ZINC001291831824 809423626 /nfs/dbraw/zinc/42/36/26/809423626.db2.gz LWKDCESERFOQOF-UHFFFAOYSA-N -1 3 291.391 3.491 20 0 CGADHM COC(=O)c1cc(Cl)sc1[N-]c1cncs1 ZINC001175497463 809432112 /nfs/dbraw/zinc/43/21/12/809432112.db2.gz VQQFUJAXDRCYOO-UHFFFAOYSA-N -1 3 274.754 3.388 20 0 CGADHM Cc1c(F)cc(-c2noc(-c3cc(Cl)n[n-]3)n2)cc1F ZINC001213500630 815291424 /nfs/dbraw/zinc/29/14/24/815291424.db2.gz MCDUVAFWTITMOJ-UHFFFAOYSA-N -1 3 296.664 3.367 20 0 CGADHM CC(C)c1ccc(C(=O)N[C@H]2CSC2(C)C)c([O-])c1 ZINC001296849684 809509861 /nfs/dbraw/zinc/50/98/61/809509861.db2.gz WEEYPQJWVOYEMH-ZDUSSCGKSA-N -1 3 279.405 3.139 20 0 CGADHM CCC[C@H]1CCC[C@H]1C(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC001298307359 809530970 /nfs/dbraw/zinc/53/09/70/809530970.db2.gz ZLMFMABLTSQUGX-CMPLNLGQSA-N -1 3 287.363 3.423 20 0 CGADHM CCC[C@@H]1CCC[C@H]1C(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC001298307362 809531021 /nfs/dbraw/zinc/53/10/21/809531021.db2.gz ZLMFMABLTSQUGX-ZYHUDNBSSA-N -1 3 287.363 3.423 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2cc([C@H]3C[C@@H]3C)[nH]n2)c1 ZINC001299911249 809557602 /nfs/dbraw/zinc/55/76/02/809557602.db2.gz RULSITKDJUWZLK-ONGXEEELSA-N -1 3 285.347 3.053 20 0 CGADHM O=c1[n-]cncc1Nc1cc(Cl)cc(Cl)c1 ZINC001176570224 809719426 /nfs/dbraw/zinc/71/94/26/809719426.db2.gz DLEZLTYFBUNOMD-UHFFFAOYSA-N -1 3 256.092 3.233 20 0 CGADHM CN1CCc2ccc(Nc3ccc(C(=O)[O-])cc3)cc2C1 ZINC001176713913 809747692 /nfs/dbraw/zinc/74/76/92/809747692.db2.gz XDYKAXRYGAFBCT-UHFFFAOYSA-N -1 3 282.343 3.116 20 0 CGADHM COCOc1ccc(F)cc1Nc1ncc(Cl)cc1[O-] ZINC001176715713 809749288 /nfs/dbraw/zinc/74/92/88/809749288.db2.gz XVKYUZFPYPUAIV-UHFFFAOYSA-N -1 3 298.701 3.306 20 0 CGADHM CC=C(C)C=CC(=O)Nc1c([O-])cccc1C(C)=O ZINC001178512952 809872883 /nfs/dbraw/zinc/87/28/83/809872883.db2.gz SSRXESHUXUSSOR-FJEDVWLASA-N -1 3 259.305 3.056 20 0 CGADHM CC(C)(C(=O)Nc1ccc(F)c([O-])c1)C(F)(F)F ZINC001180449893 810002405 /nfs/dbraw/zinc/00/24/05/810002405.db2.gz FIRXRQZTQHOXSC-UHFFFAOYSA-N -1 3 265.206 3.058 20 0 CGADHM CC[C@@H](C(=O)Nc1ccncc1[O-])C1CCC(C)CC1 ZINC001182627737 810117854 /nfs/dbraw/zinc/11/78/54/810117854.db2.gz SEGQZPQZVPILFG-WXRRBKDZSA-N -1 3 276.380 3.000 20 0 CGADHM O=c1cc(Nc2c(F)c(F)ccc2Cl)[nH]c(=S)[n-]1 ZINC001213945419 815349609 /nfs/dbraw/zinc/34/96/09/815349609.db2.gz GIKDSZVUNGBLCJ-UHFFFAOYSA-N -1 3 289.694 3.146 20 0 CGADHM CC(=O)c1cccc([O-])c1NC(=O)[C@@H]1CCC[C@H](C)C1 ZINC001184511733 810206518 /nfs/dbraw/zinc/20/65/18/810206518.db2.gz RANOXQMLERAUJG-CMPLNLGQSA-N -1 3 275.348 3.360 20 0 CGADHM O=C(Nc1ccc(F)c(F)c1)Nc1ncc([O-])cc1Cl ZINC001185066007 810232834 /nfs/dbraw/zinc/23/28/34/810232834.db2.gz GFSOSPDDBSAOSS-UHFFFAOYSA-N -1 3 299.664 3.363 20 0 CGADHM CC1(C)CC[C@@H](C(=O)Nc2ccc(F)c([O-])c2)C1 ZINC001185167466 810239830 /nfs/dbraw/zinc/23/98/30/810239830.db2.gz KHOHHFWTQNPNRY-SECBINFHSA-N -1 3 251.301 3.296 20 0 CGADHM CC[C@H](C)CCC(=O)Nc1cc(F)c([O-])cc1C(=O)OC ZINC001185572527 810277085 /nfs/dbraw/zinc/27/70/85/810277085.db2.gz VMMOXCRUOCAYDG-VIFPVBQESA-N -1 3 297.326 3.083 20 0 CGADHM O=S(=O)([N-]c1c(F)ccc(Cl)c1F)c1ccco1 ZINC001186855709 810366296 /nfs/dbraw/zinc/36/62/96/810366296.db2.gz 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BXEOVCARROUYQO-UHFFFAOYSA-N -1 3 254.648 3.029 20 0 CGADHM Cc1cc(O)cc([O-])c1C(=O)Nc1ncccc1C(C)C ZINC001193923200 810980842 /nfs/dbraw/zinc/98/08/42/810980842.db2.gz ZOXLTIQWZDXPIE-UHFFFAOYSA-N -1 3 286.331 3.177 20 0 CGADHM Cc1cc(O)cc([O-])c1C(=O)N(C)[C@@H]1CCc2ccccc21 ZINC001193936580 810982180 /nfs/dbraw/zinc/98/21/80/810982180.db2.gz OKJVGMQCEVFYFF-OAHLLOKOSA-N -1 3 297.354 3.166 20 0 CGADHM [O-]c1ccc(Cl)c(Nc2cccc(F)n2)c1F ZINC001214554094 815423003 /nfs/dbraw/zinc/42/30/03/815423003.db2.gz LHVWXQVYRHNEOF-UHFFFAOYSA-N -1 3 256.639 3.462 20 0 CGADHM CC(C)(C)c1nsc([N-]c2cccc(F)c2CO)n1 ZINC001214606581 815431533 /nfs/dbraw/zinc/43/15/33/815431533.db2.gz VOUYIIMSVSRMED-UHFFFAOYSA-N -1 3 281.356 3.211 20 0 CGADHM [O-]c1ccc(NC(=S)Nc2ccc(F)cc2)cc1F ZINC001196942111 811385667 /nfs/dbraw/zinc/38/56/67/811385667.db2.gz ONAPRFMLKAJTBU-UHFFFAOYSA-N -1 3 280.299 3.479 20 0 CGADHM O=C(Nc1ccc2[nH][n-]c(=O)c2c1)c1ccc2c(c1)CCC2 ZINC001198775541 811541593 /nfs/dbraw/zinc/54/15/93/811541593.db2.gz 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AUAALUCIWLNUOW-UHFFFAOYSA-N -1 3 298.676 3.166 20 0 CGADHM Cc1cc(O)cc(Nc2cc([O-])c(F)cc2F)c1 ZINC001215515209 815527486 /nfs/dbraw/zinc/52/74/86/815527486.db2.gz BDRJRTAAKKWPSE-UHFFFAOYSA-N -1 3 251.232 3.428 20 0 CGADHM Cc1cc(C[C@@H](C)Nc2cc(F)c([O-])cc2F)on1 ZINC001215569933 815536447 /nfs/dbraw/zinc/53/64/47/815536447.db2.gz JIKYWAJGSPBKRB-SSDOTTSWSA-N -1 3 268.263 3.010 20 0 CGADHM CC(=O)c1cc(Nc2cc(F)c([O-])cc2F)cnc1C ZINC001215572240 815537409 /nfs/dbraw/zinc/53/74/09/815537409.db2.gz ABXJICSDZUZPKS-UHFFFAOYSA-N -1 3 278.258 3.320 20 0 CGADHM Cc1nn(C)c2ccc([N-]c3nnc(C(C)C)o3)cc12 ZINC001204834353 812749943 /nfs/dbraw/zinc/74/99/43/812749943.db2.gz LZPUFXRHRHWPGC-UHFFFAOYSA-N -1 3 271.324 3.132 20 0 CGADHM [O-]c1ccc(-c2ncncc2F)c(C(F)(F)F)c1 ZINC001205065956 812845025 /nfs/dbraw/zinc/84/50/25/812845025.db2.gz BJAURRBQRKEMAJ-UHFFFAOYSA-N -1 3 258.174 3.007 20 0 CGADHM Cc1ccc(F)c(NC(=S)c2cccc(N)c2)c1[O-] ZINC001215741718 815572124 /nfs/dbraw/zinc/57/21/24/815572124.db2.gz 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XARHRFIQBNYBFR-UHFFFAOYSA-N -1 3 273.189 3.084 20 0 CGADHM O=C1COc2cccc(Nc3cccc(Cl)c3[O-])c2N1 ZINC001210222063 814348349 /nfs/dbraw/zinc/34/83/49/814348349.db2.gz MAVHINPLBFDEPF-UHFFFAOYSA-N -1 3 290.706 3.120 20 0 CGADHM O=C1Cc2ccc(Nc3cccc(Cl)c3[O-])cc2C1 ZINC001210222701 814351778 /nfs/dbraw/zinc/35/17/78/814351778.db2.gz UPGADLFXSTYMTQ-UHFFFAOYSA-N -1 3 273.719 3.457 20 0 CGADHM CC(C)(C)c1nc([N-]c2ccc(OC(F)F)nc2)no1 ZINC001210300221 814392265 /nfs/dbraw/zinc/39/22/65/814392265.db2.gz USIPBTHROHGIAN-UHFFFAOYSA-N -1 3 284.266 3.107 20 0 CGADHM C[C@@H](O)c1cccc(Nc2ncc(Cl)cc2[O-])c1 ZINC001210507096 814497087 /nfs/dbraw/zinc/49/70/87/814497087.db2.gz YPLFHBDRMPJRTO-MRVPVSSYSA-N -1 3 264.712 3.238 20 0 CGADHM C[C@H](O)c1cccc(Nc2ncc(Cl)cc2[O-])c1 ZINC001210507097 814497222 /nfs/dbraw/zinc/49/72/22/814497222.db2.gz YPLFHBDRMPJRTO-QMMMGPOBSA-N -1 3 264.712 3.238 20 0 CGADHM COC(=O)c1cc(Nc2cc([O-])c(F)cc2F)ccc1F ZINC001215854695 815615407 /nfs/dbraw/zinc/61/54/07/815615407.db2.gz SNQINISCBDTRTD-UHFFFAOYSA-N -1 3 297.232 3.340 20 0 CGADHM CC(C)(O)c1ccc([N-]c2nnc(-c3ccco3)o2)cc1 ZINC001210614566 814556778 /nfs/dbraw/zinc/55/67/78/814556778.db2.gz NXXURYXWCUKCOY-UHFFFAOYSA-N -1 3 285.303 3.301 20 0 CGADHM [O-]c1cc(Cl)cnc1Nc1cc(O)ccc1F ZINC001210798565 814631520 /nfs/dbraw/zinc/63/15/20/814631520.db2.gz RVKRIXSVWJHFDS-UHFFFAOYSA-N -1 3 254.648 3.029 20 0 CGADHM [O-]c1cccc(Nc2ccnn2-c2ccncc2)c1Cl ZINC001210855754 814653813 /nfs/dbraw/zinc/65/38/13/814653813.db2.gz VCDIOBMEVLMEIZ-UHFFFAOYSA-N -1 3 286.722 3.370 20 0 CGADHM CCc1cccc(C)c1Nc1ccc(C(N)=O)c([O-])c1 ZINC001210875856 814661095 /nfs/dbraw/zinc/66/10/95/814661095.db2.gz PXPMWHCNYXOMPD-UHFFFAOYSA-N -1 3 270.332 3.106 20 0 CGADHM COC(=O)c1cncc(Nc2ccc(C)c([O-])c2Cl)c1 ZINC001211462394 814894534 /nfs/dbraw/zinc/89/45/34/814894534.db2.gz HCOTZEKMLJVDKN-UHFFFAOYSA-N -1 3 292.722 3.279 20 0 CGADHM CSc1c(F)cc([N-]c2nnc(C)o2)cc1F ZINC001215923655 815631910 /nfs/dbraw/zinc/63/19/10/815631910.db2.gz WLTDAJQWBAPKGD-UHFFFAOYSA-N -1 3 257.265 3.122 20 0 CGADHM CN(C)Cc1cccc([N-]c2noc(C(C)(C)C)n2)c1F ZINC001216227093 815745311 /nfs/dbraw/zinc/74/53/11/815745311.db2.gz QAJQHGGYRNPLEL-UHFFFAOYSA-N -1 3 292.358 3.311 20 0 CGADHM COc1cc(Nc2cnc(C)[n-]c2=O)ccc1OC(C)C ZINC001216246343 815753919 /nfs/dbraw/zinc/75/39/19/815753919.db2.gz BTZQZAOYDOLXRM-UHFFFAOYSA-N -1 3 289.335 3.030 20 0 CGADHM COc1cc(Nc2cc(=O)[n-]c(C)n2)ccc1C1CC1 ZINC001216248718 815755155 /nfs/dbraw/zinc/75/51/55/815755155.db2.gz ULDPBNPCCUWXIX-UHFFFAOYSA-N -1 3 271.320 3.120 20 0 CGADHM Cc1cccc([O-])c1-c1nc(-c2ccccc2N(C)C)no1 ZINC001216536303 815853760 /nfs/dbraw/zinc/85/37/60/815853760.db2.gz HSAWXYXIKFMLDI-UHFFFAOYSA-N -1 3 295.342 3.484 20 0 CGADHM COc1ccc(-c2noc(-c3c(C)cccc3[O-])n2)cc1 ZINC001216536570 815854339 /nfs/dbraw/zinc/85/43/39/815854339.db2.gz MVUQCIGVBOJFCR-UHFFFAOYSA-N -1 3 282.299 3.426 20 0 CGADHM Cc1noc2ccc([N-]c3nnc(C(C)C)o3)cc12 ZINC001216637881 815883294 /nfs/dbraw/zinc/88/32/94/815883294.db2.gz SAIUDBWNKRKXNH-UHFFFAOYSA-N -1 3 258.281 3.386 20 0 CGADHM CCOc1ccc(-c2noc(-c3cc(O)ccc3[O-])n2)cc1 ZINC001216735457 815894860 /nfs/dbraw/zinc/89/48/60/815894860.db2.gz LEBJTQXOBMUTSH-UHFFFAOYSA-N -1 3 298.298 3.214 20 0 CGADHM Cc1ncccc1-c1noc(-c2[n-]nc3c2cccc3F)n1 ZINC001217322564 815919724 /nfs/dbraw/zinc/91/97/24/815919724.db2.gz BPNUGEFZMVGPQS-UHFFFAOYSA-N -1 3 295.277 3.122 20 0 CGADHM COc1ccc(-c2ccccc2C(=O)[O-])cc1CN(C)C ZINC001242879719 823162850 /nfs/dbraw/zinc/16/28/50/823162850.db2.gz DEGRVZYXGCQHPR-UHFFFAOYSA-N -1 3 285.343 3.122 20 0 CGADHM Fc1ccc(-c2nnn[n-]2)cc1-c1ccccc1Cl ZINC001222441138 816446193 /nfs/dbraw/zinc/44/61/93/816446193.db2.gz OJPYXKXWHAQRTK-UHFFFAOYSA-N -1 3 274.686 3.326 20 0 CGADHM Fc1ccc(-c2nn[n-]n2)cc1-c1ccccc1Cl ZINC001222441138 816446197 /nfs/dbraw/zinc/44/61/97/816446197.db2.gz OJPYXKXWHAQRTK-UHFFFAOYSA-N -1 3 274.686 3.326 20 0 CGADHM O=C([O-])C1(c2ccc(-c3cncc4cc[nH]c43)cc2)CC1 ZINC001222686395 816498691 /nfs/dbraw/zinc/49/86/91/816498691.db2.gz PVRLHQJSZHOHNS-UHFFFAOYSA-N -1 3 278.311 3.346 20 0 CGADHM CC1(C)C(=O)NCc2cc(-c3ccc(F)c([O-])c3)ccc21 ZINC001243046892 823223628 /nfs/dbraw/zinc/22/36/28/823223628.db2.gz PJTISMZZJYMGMH-UHFFFAOYSA-N -1 3 285.318 3.106 20 0 CGADHM O=c1c(-c2ccc(F)c([O-])c2)cccn1C1CCC1 ZINC001243047502 823224798 /nfs/dbraw/zinc/22/47/98/823224798.db2.gz UDIIWJDFQJRNHA-UHFFFAOYSA-N -1 3 259.280 3.085 20 0 CGADHM COc1cccc2ncnc(-c3ccc(F)c([O-])c3)c21 ZINC001243049111 823225445 /nfs/dbraw/zinc/22/54/45/823225445.db2.gz ORZWDSMNJJAIRL-UHFFFAOYSA-N -1 3 270.263 3.150 20 0 CGADHM COC(=O)c1cc2cc[nH]c2c(-c2ccc(F)c([O-])c2)c1 ZINC001243049917 823226622 /nfs/dbraw/zinc/22/66/22/823226622.db2.gz CHBFPJAEXDIPEO-UHFFFAOYSA-N -1 3 285.274 3.466 20 0 CGADHM COC(=O)c1cc(C)ccc1-c1ccc(F)c([O-])c1 ZINC001243050901 823227619 /nfs/dbraw/zinc/22/76/19/823227619.db2.gz HEIPHIRVZSAJBJ-UHFFFAOYSA-N -1 3 260.264 3.293 20 0 CGADHM COCOc1ccc(OC)cc1-c1ccc(F)c([O-])c1 ZINC001243063165 823233117 /nfs/dbraw/zinc/23/31/17/823233117.db2.gz UKBIJSHRQOUYGI-UHFFFAOYSA-N -1 3 278.279 3.190 20 0 CGADHM COc1ccccc1[C@@H](C)Oc1ccc2c([O-])coc2c1 ZINC001225342488 817018068 /nfs/dbraw/zinc/01/80/68/817018068.db2.gz IVHIYPHRCGNTAA-LLVKDONJSA-N -1 3 284.311 3.410 20 0 CGADHM Cc1ccc2c(c1)CC[C@@H]2Oc1[n-]c(=S)ncc1C ZINC001225742144 817163696 /nfs/dbraw/zinc/16/36/96/817163696.db2.gz HZOXRAHFRRJMOR-ZDUSSCGKSA-N -1 3 272.373 3.448 20 0 CGADHM CCC[C@@H](C)Oc1cc(C(F)(F)F)[n-]c(=S)n1 ZINC001225853431 817196504 /nfs/dbraw/zinc/19/65/04/817196504.db2.gz QQFUOBUMRDPIOH-ZCFIWIBFSA-N -1 3 266.288 3.352 20 0 CGADHM CCC[C@H](C)Oc1cc(C(F)(F)F)[n-]c(=S)n1 ZINC001225850936 817196584 /nfs/dbraw/zinc/19/65/84/817196584.db2.gz QQFUOBUMRDPIOH-LURJTMIESA-N -1 3 266.288 3.352 20 0 CGADHM COCc1cc(O[C@H](C)c2cccc(F)c2)[n-]c(=S)n1 ZINC001225935283 817223186 /nfs/dbraw/zinc/22/31/86/817223186.db2.gz RCFLCVRIMXNARD-SECBINFHSA-N -1 3 294.351 3.191 20 0 CGADHM COc1ccc(-c2nnn[n-]2)cc1-c1cc2ccccc2[nH]1 ZINC001243105399 823249090 /nfs/dbraw/zinc/24/90/90/823249090.db2.gz AOJVROGDUYGAHJ-UHFFFAOYSA-N -1 3 291.314 3.024 20 0 CGADHM COc1ccc(-c2nn[n-]n2)cc1-c1cc2ccccc2[nH]1 ZINC001243105399 823249093 /nfs/dbraw/zinc/24/90/93/823249093.db2.gz AOJVROGDUYGAHJ-UHFFFAOYSA-N -1 3 291.314 3.024 20 0 CGADHM S=c1ncc(C2CC2)c(OC2Cc3ccccc3C2)[n-]1 ZINC001226117004 817278167 /nfs/dbraw/zinc/27/81/67/817278167.db2.gz IODRJZIPXKDUJJ-UHFFFAOYSA-N -1 3 284.384 3.189 20 0 CGADHM CCc1nc(O[C@H](C)c2ccccc2F)cc(=O)[n-]1 ZINC001226471159 817367652 /nfs/dbraw/zinc/36/76/52/817367652.db2.gz BCVYCRXVZIHZTI-SECBINFHSA-N -1 3 262.284 3.024 20 0 CGADHM CC(=O)c1ccc([O-])c(O[C@H]2CC[C@@H](C)CC2)c1O ZINC001226482182 817371877 /nfs/dbraw/zinc/37/18/77/817371877.db2.gz KKAVTMRYEUZLJU-JGZJWPJOSA-N -1 3 264.321 3.258 20 0 CGADHM Cc1nc(O[C@@H](C)c2ccc(Cl)cc2)cc(=O)[n-]1 ZINC001226509940 817379174 /nfs/dbraw/zinc/37/91/74/817379174.db2.gz FMXRNQXMLHYSDW-QMMMGPOBSA-N -1 3 264.712 3.284 20 0 CGADHM O=c1ccc2ccc([O-])c(O[C@@H]3CC4CCC3CC4)c2o1 ZINC001226597473 817409420 /nfs/dbraw/zinc/40/94/20/817409420.db2.gz ULELGSOMLKDQKG-QIMFLAQGSA-N -1 3 286.327 3.456 20 0 CGADHM C[C@H](Oc1ccnc(=S)[n-]1)c1ccc(F)c(F)c1 ZINC001226940689 817511526 /nfs/dbraw/zinc/51/15/26/817511526.db2.gz TWQQJPQNLYNKCA-ZETCQYMHSA-N -1 3 268.288 3.184 20 0 CGADHM O=c1cc(O[C@H]2CCc3cc(C(F)(F)F)ccc32)nc[n-]1 ZINC001226948569 817514040 /nfs/dbraw/zinc/51/40/40/817514040.db2.gz DQZHGJGXENMLHU-NSHDSACASA-N -1 3 296.248 3.267 20 0 CGADHM C[C@H](Oc1ccc(=O)[n-]n1)c1ccc2ccccc2c1 ZINC001227095188 817556548 /nfs/dbraw/zinc/55/65/48/817556548.db2.gz OKOOXNFTSJKNMH-NSHDSACASA-N -1 3 266.300 3.475 20 0 CGADHM COC1CCC(Oc2cc(=O)cc(C(F)(F)F)[n-]2)CC1 ZINC001227585723 817675817 /nfs/dbraw/zinc/67/58/17/817675817.db2.gz DDAWSEFRYYSUHC-UHFFFAOYSA-N -1 3 291.269 3.142 20 0 CGADHM C[C@H](Oc1cc(=O)cc(C(F)(F)F)[n-]1)c1nccs1 ZINC001227583907 817676046 /nfs/dbraw/zinc/67/60/46/817676046.db2.gz ONPAARRCMZACBB-LURJTMIESA-N -1 3 290.266 3.403 20 0 CGADHM CN1CCC[C@@H](Oc2cc(Cl)c([O-])cc2Cl)C1 ZINC001227640480 817686212 /nfs/dbraw/zinc/68/62/12/817686212.db2.gz BWOANNBTBJDOTR-MRVPVSSYSA-N -1 3 276.163 3.172 20 0 CGADHM COC(=O)c1ccc([O-])c(OC2CCCCCCC2)n1 ZINC001227820361 817726345 /nfs/dbraw/zinc/72/63/45/817726345.db2.gz SJHLXIZLWPUQHH-UHFFFAOYSA-N -1 3 279.336 3.066 20 0 CGADHM CCCC[C@H](CCC)Oc1nc(C(=O)OC)ccc1[O-] ZINC001227824695 817727805 /nfs/dbraw/zinc/72/78/05/817727805.db2.gz JBLHFCVBDIMKSS-NSHDSACASA-N -1 3 281.352 3.312 20 0 CGADHM [O-]c1cc(Cl)cnc1OC1CCC(F)(F)CC1 ZINC001227981525 817771531 /nfs/dbraw/zinc/77/15/31/817771531.db2.gz XKCUECGZSZODDN-UHFFFAOYSA-N -1 3 263.671 3.397 20 0 CGADHM C[C@H](Cc1ccccc1)Oc1ncc(Cl)cc1[O-] ZINC001227981173 817771833 /nfs/dbraw/zinc/77/18/33/817771833.db2.gz TWIFRNKDZDEQAX-SNVBAGLBSA-N -1 3 263.724 3.451 20 0 CGADHM CCO[C@@H](C)COc1cc(-c2ccccc2)nc(=S)[n-]1 ZINC001228346267 817883454 /nfs/dbraw/zinc/88/34/54/817883454.db2.gz CLWSALUXCIMKAR-NSHDSACASA-N -1 3 290.388 3.236 20 0 CGADHM Cc1cc(=O)oc2c1ccc([O-])c2O[C@H]1CCC[C@@H]1C ZINC001228630067 817956747 /nfs/dbraw/zinc/95/67/47/817956747.db2.gz PPIKMHAQJIGGKH-ZANVPECISA-N -1 3 274.316 3.374 20 0 CGADHM CCC[C@H](Oc1nnc(-c2cccnc2)[n-]1)[C@@H](C)CC ZINC001228697355 817976793 /nfs/dbraw/zinc/97/67/93/817976793.db2.gz IAECNKNTIGNPIM-AAEUAGOBSA-N -1 3 274.368 3.460 20 0 CGADHM CCC[C@H](Oc1nc(-c2cccnc2)n[n-]1)[C@@H](C)CC ZINC001228697355 817976799 /nfs/dbraw/zinc/97/67/99/817976799.db2.gz IAECNKNTIGNPIM-AAEUAGOBSA-N -1 3 274.368 3.460 20 0 CGADHM CCC[C@H](Oc1n[n-]c(-c2cccnc2)n1)[C@@H](C)CC ZINC001228697355 817976808 /nfs/dbraw/zinc/97/68/08/817976808.db2.gz IAECNKNTIGNPIM-AAEUAGOBSA-N -1 3 274.368 3.460 20 0 CGADHM CC[C@@H](C)C[C@H](CC)Oc1n[n-]c(-c2ccncc2)n1 ZINC001228697728 817977890 /nfs/dbraw/zinc/97/78/90/817977890.db2.gz ONZWAWVABVDJPS-YPMHNXCESA-N -1 3 274.368 3.460 20 0 CGADHM CC[C@@H](Oc1n[n-]c(-c2ccncc2)n1)C(C)(C)C ZINC001228696947 817978000 /nfs/dbraw/zinc/97/80/00/817978000.db2.gz GLTUDKCKXRQWNO-LLVKDONJSA-N -1 3 260.341 3.070 20 0 CGADHM CCCC/C=C/[C@@H](C)Oc1n[n-]c(-c2ccncc2)n1 ZINC001228700427 817980082 /nfs/dbraw/zinc/98/00/82/817980082.db2.gz RTXFOELXGXPYRM-NNNHXZLVSA-N -1 3 272.352 3.380 20 0 CGADHM O=C1CCc2cc([O-])c(O[C@H]3CC4CCC3CC4)cc21 ZINC001228854114 818023317 /nfs/dbraw/zinc/02/33/17/818023317.db2.gz OCVWFVIFSKGECR-PRDDCLIZSA-N -1 3 272.344 3.479 20 0 CGADHM CCCCC[C@@H](C)Oc1cccc(-c2nnn[n-]2)c1 ZINC001231118818 818036166 /nfs/dbraw/zinc/03/61/66/818036166.db2.gz XBDKLGDIPNGBSZ-LLVKDONJSA-N -1 3 260.341 3.214 20 0 CGADHM CCCCC[C@@H](C)Oc1cccc(-c2nn[n-]n2)c1 ZINC001231118818 818036172 /nfs/dbraw/zinc/03/61/72/818036172.db2.gz XBDKLGDIPNGBSZ-LLVKDONJSA-N -1 3 260.341 3.214 20 0 CGADHM [O-]c1cc(CN2CCC[C@H](CF)C2)ccc1Cl ZINC001231733848 818161758 /nfs/dbraw/zinc/16/17/58/818161758.db2.gz IZETXNWEWSDWEB-LLVKDONJSA-N -1 3 257.736 3.227 20 0 CGADHM CN(Cc1cccnc1)Cc1ccc(Cl)c([O-])c1 ZINC001231733333 818161737 /nfs/dbraw/zinc/16/17/37/818161737.db2.gz SMVJBRJKBOXUFT-UHFFFAOYSA-N -1 3 262.740 3.073 20 0 CGADHM CO[C@H]1CCN(Cc2ccc(Cl)c([O-])c2)[C@H](C)C1 ZINC001231735864 818163424 /nfs/dbraw/zinc/16/34/24/818163424.db2.gz XIWAPPSGOMWFEQ-PWSUYJOCSA-N -1 3 269.772 3.045 20 0 CGADHM CO[C@H]1CCN(Cc2ccc(Cl)c([O-])c2)[C@@H](C)C1 ZINC001231735862 818163462 /nfs/dbraw/zinc/16/34/62/818163462.db2.gz XIWAPPSGOMWFEQ-JQWIXIFHSA-N -1 3 269.772 3.045 20 0 CGADHM [O-]c1cccc(CN2CC[C@H]3CCCO[C@H]3C2)c1Cl ZINC001232785695 818439126 /nfs/dbraw/zinc/43/91/26/818439126.db2.gz HFOWTMHKYBCRSU-RISCZKNCSA-N -1 3 281.783 3.047 20 0 CGADHM Cc1ccc(-c2cc(C)c(O)c(C)c2)cc1-c1nnn[n-]1 ZINC001243309819 823338941 /nfs/dbraw/zinc/33/89/41/823338941.db2.gz SHFAWJPYCMZFTH-UHFFFAOYSA-N -1 3 280.331 3.165 20 0 CGADHM Cc1ccc(-c2cc(C)c(O)c(C)c2)cc1-c1nn[n-]n1 ZINC001243309819 823338946 /nfs/dbraw/zinc/33/89/46/823338946.db2.gz SHFAWJPYCMZFTH-UHFFFAOYSA-N -1 3 280.331 3.165 20 0 CGADHM COc1ccc(CN(C)Cc2cc([O-])c(F)c(F)c2)cc1 ZINC001232972636 818486991 /nfs/dbraw/zinc/48/69/91/818486991.db2.gz QVUVCNZPUHBNQE-UHFFFAOYSA-N -1 3 293.313 3.311 20 0 CGADHM CC1(C)CCN(Cc2cc([O-])c(F)c(F)c2)CC1 ZINC001232972376 818487410 /nfs/dbraw/zinc/48/74/10/818487410.db2.gz YAUWHBYASCPOEC-UHFFFAOYSA-N -1 3 255.308 3.292 20 0 CGADHM CN(CCc1ccccc1F)Cc1cc(Cl)ncc1[O-] ZINC001233037709 818508751 /nfs/dbraw/zinc/50/87/51/818508751.db2.gz HVMCHRDTBKUCMX-UHFFFAOYSA-N -1 3 294.757 3.254 20 0 CGADHM [O-]c1cccc(CN2CCC[C@@H](C(F)F)C2)c1F ZINC001233052377 818512489 /nfs/dbraw/zinc/51/24/89/818512489.db2.gz DECFHIXIBSEXNF-SNVBAGLBSA-N -1 3 259.271 3.008 20 0 CGADHM [O-]c1cccc(CN2CCC[C@@H]2c2ccncc2)c1F ZINC001233052275 818513228 /nfs/dbraw/zinc/51/32/28/818513228.db2.gz JZEZEDYXDJCVBT-CQSZACIVSA-N -1 3 272.323 3.263 20 0 CGADHM FC(F)(F)[C@@H]1CCN(Cc2ccc([S-])cc2)C1 ZINC001233261642 818558238 /nfs/dbraw/zinc/55/82/38/818558238.db2.gz XMLJZRBZTCTMJE-SNVBAGLBSA-N -1 3 261.312 3.360 20 0 CGADHM [O-]c1ccc(F)c(CN2CCCC(F)(F)[C@H](F)C2)c1F ZINC001233393696 818609361 /nfs/dbraw/zinc/60/93/61/818609361.db2.gz HLSGULFSZSZABL-LLVKDONJSA-N -1 3 295.251 3.240 20 0 CGADHM CN1CCc2c(F)cc(-c3ccc([O-])c(F)c3F)cc2C1 ZINC001243344593 823359905 /nfs/dbraw/zinc/35/99/05/823359905.db2.gz HQSMLRIWGDOYIC-UHFFFAOYSA-N -1 3 293.288 3.464 20 0 CGADHM CC(C)[C@H]1CC[C@H](Oc2cccc([O-])c2C(N)=O)CC1 ZINC001234148637 818792273 /nfs/dbraw/zinc/79/22/73/818792273.db2.gz ISODETILHIKJLD-HAQNSBGRSA-N -1 3 277.364 3.085 20 0 CGADHM CC[C@@H](C)[C@@H](C)Oc1nc(=O)[n-]c2c1SCCC2 ZINC001234905283 818949577 /nfs/dbraw/zinc/94/95/77/818949577.db2.gz CZDHQLCGGHKIEZ-RKDXNWHRSA-N -1 3 268.382 3.034 20 0 CGADHM [O-]c1cc(Cl)cc(-c2cncc3nccnc32)c1 ZINC001235906930 819216362 /nfs/dbraw/zinc/21/63/62/819216362.db2.gz RBLSOUTYILQOHE-UHFFFAOYSA-N -1 3 257.680 3.051 20 0 CGADHM [O-]c1cc(CN2CCC[C@H](F)C(F)(F)C2)ccc1F ZINC001236703297 819576330 /nfs/dbraw/zinc/57/63/30/819576330.db2.gz MVEZKKSZMDXJRD-LBPRGKRZSA-N -1 3 277.261 3.101 20 0 CGADHM [O-]c1cc(CN2CC[C@H]2c2ccccc2)ccc1F ZINC001236711868 819580018 /nfs/dbraw/zinc/58/00/18/819580018.db2.gz XTEGCPJGHAVBSK-HNNXBMFYSA-N -1 3 257.308 3.478 20 0 CGADHM O=c1[n-]c(Cl)c(CN2Cc3ccc(F)cc3C2)s1 ZINC001237150553 819680090 /nfs/dbraw/zinc/68/00/90/819680090.db2.gz HMLWOETZNANRFK-UHFFFAOYSA-N -1 3 284.743 3.157 20 0 CGADHM Cc1cccc2c1CCN(Cc1sc(=O)[n-]c1Cl)C2 ZINC001237160026 819684177 /nfs/dbraw/zinc/68/41/77/819684177.db2.gz DZOJQTQFZCMRSJ-UHFFFAOYSA-N -1 3 294.807 3.369 20 0 CGADHM O=c1[n-]c(Cl)c(CN2CCCCC23CC3)s1 ZINC001237166642 819686127 /nfs/dbraw/zinc/68/61/27/819686127.db2.gz UDOVSWZZJWJOTQ-UHFFFAOYSA-N -1 3 258.774 3.021 20 0 CGADHM O=c1[n-]c(Cl)c(CN2CCc3ccc(F)cc3C2)s1 ZINC001237165218 819686376 /nfs/dbraw/zinc/68/63/76/819686376.db2.gz NJGLZICHHWNSNL-UHFFFAOYSA-N -1 3 298.770 3.200 20 0 CGADHM O=c1[n-]c(Cl)c(CN2CCc3cc(F)ccc3C2)s1 ZINC001237170297 819687521 /nfs/dbraw/zinc/68/75/21/819687521.db2.gz VPMGJPVFXOATAQ-UHFFFAOYSA-N -1 3 298.770 3.200 20 0 CGADHM [O-]c1cc(F)cc(CN2CCc3nc(Cl)ccc3C2)c1 ZINC001237279923 819716602 /nfs/dbraw/zinc/71/66/02/819716602.db2.gz WLCKPQSGBCXERB-UHFFFAOYSA-N -1 3 292.741 3.138 20 0 CGADHM [O-]c1cccc(-c2cn3ncnc3cc2C(F)(F)F)c1F ZINC001243548397 823440210 /nfs/dbraw/zinc/44/02/10/823440210.db2.gz CMQQIZGVMQXPNJ-UHFFFAOYSA-N -1 3 297.211 3.260 20 0 CGADHM [O-]c1cccc(-c2cc(N3CCCC3)ccn2)c1F ZINC001243541122 823435885 /nfs/dbraw/zinc/43/58/85/823435885.db2.gz DVDCRHGQPLTLFI-UHFFFAOYSA-N -1 3 258.296 3.194 20 0 CGADHM [O-]c1cccc(-c2cc(-c3cccnc3)ncn2)c1F ZINC001243544586 823437240 /nfs/dbraw/zinc/43/72/40/823437240.db2.gz RXRQSBYAOBXSQK-UHFFFAOYSA-N -1 3 267.263 3.050 20 0 CGADHM CCn1nnc2c1ccc(-c1cccc([O-])c1F)c2C ZINC001243549335 823440997 /nfs/dbraw/zinc/44/09/97/823440997.db2.gz XJSNPEIUTPLWLZ-UHFFFAOYSA-N -1 3 271.295 3.271 20 0 CGADHM CCN(CC)C(=O)c1cncc(-c2cccc([O-])c2F)c1 ZINC001243547190 823439798 /nfs/dbraw/zinc/43/97/98/823439798.db2.gz MAFGCDCUHZSBEZ-UHFFFAOYSA-N -1 3 288.322 3.075 20 0 CGADHM Fc1cc(-c2cccc(Cl)c2F)ccc1-c1nnn[n-]1 ZINC001238958416 820169203 /nfs/dbraw/zinc/16/92/03/820169203.db2.gz JVWYLNFPTYLICS-UHFFFAOYSA-N -1 3 292.676 3.465 20 0 CGADHM Fc1cc(-c2cccc(Cl)c2F)ccc1-c1nn[n-]n1 ZINC001238958416 820169205 /nfs/dbraw/zinc/16/92/05/820169205.db2.gz JVWYLNFPTYLICS-UHFFFAOYSA-N -1 3 292.676 3.465 20 0 CGADHM CC(C)n1cc(-c2ccc(C(F)(F)F)cc2[O-])ncc1=O ZINC001243611441 823467175 /nfs/dbraw/zinc/46/71/75/823467175.db2.gz GHXQXXRURFFTBR-UHFFFAOYSA-N -1 3 298.264 3.216 20 0 CGADHM [O-]c1cc(C(F)(F)F)ccc1-c1cn2ncnc2cc1F ZINC001243612790 823467217 /nfs/dbraw/zinc/46/72/17/823467217.db2.gz XHHHKDJQANDMLS-UHFFFAOYSA-N -1 3 297.211 3.260 20 0 CGADHM Cc1cccc(-c2ccc(-c3nnn[n-]3)cc2)c1C ZINC001239716517 820543176 /nfs/dbraw/zinc/54/31/76/820543176.db2.gz SBINAXBOSDXOHO-UHFFFAOYSA-N -1 3 250.305 3.151 20 0 CGADHM Cc1cccc(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC001239716517 820543182 /nfs/dbraw/zinc/54/31/82/820543182.db2.gz SBINAXBOSDXOHO-UHFFFAOYSA-N -1 3 250.305 3.151 20 0 CGADHM Fc1cc2[nH]ccc2c(-c2cccc(-c3nnn[n-]3)c2)c1 ZINC001240037607 820798363 /nfs/dbraw/zinc/79/83/63/820798363.db2.gz WKZBWWCWSJCEIH-UHFFFAOYSA-N -1 3 279.278 3.154 20 0 CGADHM Fc1cc2[nH]ccc2c(-c2cccc(-c3nn[n-]n3)c2)c1 ZINC001240037607 820798369 /nfs/dbraw/zinc/79/83/69/820798369.db2.gz WKZBWWCWSJCEIH-UHFFFAOYSA-N -1 3 279.278 3.154 20 0 CGADHM O=C([O-])C=Cc1cccc(-c2cncc3cc[nH]c32)c1 ZINC001240549374 821135304 /nfs/dbraw/zinc/13/53/04/821135304.db2.gz DZPWHOZYYBGMEF-SNAWJCMRSA-N -1 3 264.284 3.328 20 0 CGADHM O=c1c(-c2cc(F)ccc2[O-])cccn1-c1ccccc1F ZINC001240698055 821254691 /nfs/dbraw/zinc/25/46/91/821254691.db2.gz RKYWDRAAYPBNJI-UHFFFAOYSA-N -1 3 299.276 3.488 20 0 CGADHM Cc1ccc(-c2ccc(F)c(-c3nnn[n-]3)c2)cc1C ZINC001240701801 821257934 /nfs/dbraw/zinc/25/79/34/821257934.db2.gz HRUIIQYALCXILL-UHFFFAOYSA-N -1 3 268.295 3.290 20 0 CGADHM Cc1ccc(-c2ccc(F)c(-c3nn[n-]n3)c2)cc1C ZINC001240701801 821257940 /nfs/dbraw/zinc/25/79/40/821257940.db2.gz HRUIIQYALCXILL-UHFFFAOYSA-N -1 3 268.295 3.290 20 0 CGADHM Cc1c(F)cccc1-c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001240732469 821285694 /nfs/dbraw/zinc/28/56/94/821285694.db2.gz MEPIRIKUIHTSTK-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM Cc1c(F)cccc1-c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001240732469 821285702 /nfs/dbraw/zinc/28/57/02/821285702.db2.gz MEPIRIKUIHTSTK-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM COC(=O)c1cc2[nH]ccc2cc1-c1ccc([O-])c(F)c1 ZINC001240785940 821324861 /nfs/dbraw/zinc/32/48/61/821324861.db2.gz VXYDTDNEDFNLBS-UHFFFAOYSA-N -1 3 285.274 3.466 20 0 CGADHM COC(=O)c1ccc(-c2ccc([O-])c(F)c2)cc1C ZINC001240785555 821325131 /nfs/dbraw/zinc/32/51/31/821325131.db2.gz FQJSXOALNAONEP-UHFFFAOYSA-N -1 3 260.264 3.293 20 0 CGADHM COC(=O)c1nc2cc(-c3ccc([O-])c(F)c3)ccc2o1 ZINC001240786305 821326588 /nfs/dbraw/zinc/32/65/88/821326588.db2.gz FRFIHUUDQKXUDE-UHFFFAOYSA-N -1 3 287.246 3.126 20 0 CGADHM CC(=O)Nc1ccc(C)cc1-c1ccc([O-])c(F)c1 ZINC001240787115 821328472 /nfs/dbraw/zinc/32/84/72/821328472.db2.gz LXENNIYVHYTDGX-UHFFFAOYSA-N -1 3 259.280 3.465 20 0 CGADHM CC(=O)Nc1ccc(F)c(-c2ccc([O-])c(F)c2)c1 ZINC001240787774 821329622 /nfs/dbraw/zinc/32/96/22/821329622.db2.gz PUYLNBCFCAPULG-UHFFFAOYSA-N -1 3 263.243 3.296 20 0 CGADHM CN1Cc2ccc(-c3ccc([O-])c(F)c3)cc2NC1=O ZINC001240790046 821331985 /nfs/dbraw/zinc/33/19/85/821331985.db2.gz HVKVRIJZRUKNPZ-UHFFFAOYSA-N -1 3 272.279 3.176 20 0 CGADHM Cc1cc(-c2nnn[n-]2)ccc1-c1cccc2ncccc21 ZINC001240940528 821430986 /nfs/dbraw/zinc/43/09/86/821430986.db2.gz HUMVRBLXNVNTRG-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM Cc1cc(-c2nn[n-]n2)ccc1-c1cccc2ncccc21 ZINC001240940528 821430991 /nfs/dbraw/zinc/43/09/91/821430991.db2.gz HUMVRBLXNVNTRG-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM Fc1cc(-c2nnn[n-]2)cc(-c2ccc(F)c(F)c2F)c1 ZINC001240993369 821475578 /nfs/dbraw/zinc/47/55/78/821475578.db2.gz HIMHZINMUFMXFF-UHFFFAOYSA-N -1 3 294.211 3.090 20 0 CGADHM Fc1cc(-c2nn[n-]n2)cc(-c2ccc(F)c(F)c2F)c1 ZINC001240993369 821475583 /nfs/dbraw/zinc/47/55/83/821475583.db2.gz HIMHZINMUFMXFF-UHFFFAOYSA-N -1 3 294.211 3.090 20 0 CGADHM CCCN(CCC)c1cncc(-c2ccccc2[O-])n1 ZINC001241007476 821484455 /nfs/dbraw/zinc/48/44/55/821484455.db2.gz CXWHFHSJVCLASI-UHFFFAOYSA-N -1 3 271.364 3.476 20 0 CGADHM Cc1ccc(-c2ccc(C(F)(F)F)nn2)c([O-])c1 ZINC001241028096 821502887 /nfs/dbraw/zinc/50/28/87/821502887.db2.gz JLXDQSXASZHUII-UHFFFAOYSA-N -1 3 254.211 3.176 20 0 CGADHM Cc1ccc(-c2ncnc3[nH]c(C(C)(C)C)nc32)c([O-])c1 ZINC001241036366 821511429 /nfs/dbraw/zinc/51/14/29/821511429.db2.gz VXDLMMBJMYFSCY-UHFFFAOYSA-N -1 3 282.347 3.331 20 0 CGADHM CSc1ncc2c(ccnc2-c2ccc(C)cc2[O-])n1 ZINC001241035910 821511593 /nfs/dbraw/zinc/51/15/93/821511593.db2.gz JFOQPWYTEGKOAE-UHFFFAOYSA-N -1 3 283.356 3.428 20 0 CGADHM [O-]c1cc(F)c(-c2ccc3c(c2)OCCN3)c(F)c1 ZINC001241121890 821578674 /nfs/dbraw/zinc/57/86/74/821578674.db2.gz RGNXXTSHNYQOHK-UHFFFAOYSA-N -1 3 263.243 3.142 20 0 CGADHM CCOc1cc(C)c(-c2ccc(=S)[n-]n2)c(C)c1 ZINC001241200434 821634410 /nfs/dbraw/zinc/63/44/10/821634410.db2.gz GQHCOQOIYVQREN-UHFFFAOYSA-N -1 3 260.362 3.448 20 0 CGADHM COc1ncc2cc[nH]c2c1-c1cc([O-])cc(F)c1 ZINC001241271091 821689467 /nfs/dbraw/zinc/68/94/67/821689467.db2.gz LQZPDJSTBIFKJW-UHFFFAOYSA-N -1 3 258.252 3.083 20 0 CGADHM Nc1cnc2c(cccc2-c2cc([O-])cc(F)c2)c1 ZINC001241276705 821695654 /nfs/dbraw/zinc/69/56/54/821695654.db2.gz BYDMIPNASCUFMX-UHFFFAOYSA-N -1 3 254.264 3.329 20 0 CGADHM CC1(C)CNC(=O)c2ccc(-c3cc([O-])cc(F)c3)cc21 ZINC001241280117 821698380 /nfs/dbraw/zinc/69/83/80/821698380.db2.gz DWNUACJUIYRWKI-UHFFFAOYSA-N -1 3 285.318 3.219 20 0 CGADHM O=c1c(-c2cc([O-])cc(F)c2)cccn1-c1ccccc1F ZINC001241280144 821698577 /nfs/dbraw/zinc/69/85/77/821698577.db2.gz GCUIFFWPORTDDA-UHFFFAOYSA-N -1 3 299.276 3.488 20 0 CGADHM CC1(C)CNc2cc(-c3cc([O-])cc(F)c3)cnc21 ZINC001241283177 821703500 /nfs/dbraw/zinc/70/35/00/821703500.db2.gz SPMHSLOQFQSQHM-UHFFFAOYSA-N -1 3 258.296 3.296 20 0 CGADHM [O-]c1ccc(F)c(-c2ccc3nccnc3c2)c1F ZINC001241290781 821707576 /nfs/dbraw/zinc/70/75/76/821707576.db2.gz GAKJFGSUCOQHTQ-UHFFFAOYSA-N -1 3 258.227 3.281 20 0 CGADHM COC(=O)Cc1ccc(-c2c(F)ccc([O-])c2F)cc1 ZINC001241292937 821710339 /nfs/dbraw/zinc/71/03/39/821710339.db2.gz OHEACSPUPWQVJD-UHFFFAOYSA-N -1 3 278.254 3.053 20 0 CGADHM [O-]c1ccc(F)c(-c2ccccc2N2CCOCC2)c1F ZINC001241293692 821712143 /nfs/dbraw/zinc/71/21/43/821712143.db2.gz KIMNYOHKQGPKAE-UHFFFAOYSA-N -1 3 291.297 3.174 20 0 CGADHM c1cc(OC2CC2)cc(-c2ccc(-c3nnn[n-]3)cc2)c1 ZINC001241443731 821839278 /nfs/dbraw/zinc/83/92/78/821839278.db2.gz YLSRUJMYMOJWDP-UHFFFAOYSA-N -1 3 278.315 3.075 20 0 CGADHM c1cc(OC2CC2)cc(-c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001241443731 821839288 /nfs/dbraw/zinc/83/92/88/821839288.db2.gz YLSRUJMYMOJWDP-UHFFFAOYSA-N -1 3 278.315 3.075 20 0 CGADHM Cc1ccc(-c2ccc(-c3nnn[n-]3)cc2)c(F)c1F ZINC001242029912 822293240 /nfs/dbraw/zinc/29/32/40/822293240.db2.gz CPNHSQKUDZYENX-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM Cc1ccc(-c2ccc(-c3nn[n-]n3)cc2)c(F)c1F ZINC001242029912 822293246 /nfs/dbraw/zinc/29/32/46/822293246.db2.gz CPNHSQKUDZYENX-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM CNC(=O)c1ccccc1-c1ccc([O-])c(C(F)(F)F)c1 ZINC001242157177 822899384 /nfs/dbraw/zinc/89/93/84/822899384.db2.gz FWERNAZUPFEIAG-UHFFFAOYSA-N -1 3 295.260 3.438 20 0 CGADHM O=C(c1ccccc1-c1ccc(F)cc1[O-])N1CCCC1 ZINC001242217966 822915196 /nfs/dbraw/zinc/91/51/96/822915196.db2.gz OSFOFACEFJDSML-UHFFFAOYSA-N -1 3 285.318 3.434 20 0 CGADHM COc1cc(OC)c(-c2ccc(F)cc2[O-])cc1OC ZINC001242218809 822915429 /nfs/dbraw/zinc/91/54/29/822915429.db2.gz QPDZJQXKGQCHAW-UHFFFAOYSA-N -1 3 278.279 3.224 20 0 CGADHM COc1ccc(-c2ccc(F)cc2[O-])c(OC)c1F ZINC001242219475 822915451 /nfs/dbraw/zinc/91/54/51/822915451.db2.gz GTEOPRRIZIAIRB-UHFFFAOYSA-N -1 3 266.243 3.355 20 0 CGADHM O=c1cc(-c2ccc(F)cc2[O-])ccn1Cc1ccccc1 ZINC001242219862 822916506 /nfs/dbraw/zinc/91/65/06/822916506.db2.gz UXFNMVVLFWBRMG-UHFFFAOYSA-N -1 3 295.313 3.408 20 0 CGADHM COC(=O)CCc1ccccc1-c1ccc(F)cc1[O-] ZINC001242220629 822916782 /nfs/dbraw/zinc/91/67/82/822916782.db2.gz ICGKUJXSRVYSJQ-UHFFFAOYSA-N -1 3 274.291 3.304 20 0 CGADHM CC1(C)CNC(=O)c2ccc(-c3cccc(F)c3[O-])cc21 ZINC001242352441 822962561 /nfs/dbraw/zinc/96/25/61/822962561.db2.gz IOBYAWUIOAAZRO-UHFFFAOYSA-N -1 3 285.318 3.219 20 0 CGADHM Cn1c(=O)ccc2ccc(-c3cccc(F)c3[O-])cc21 ZINC001242354423 822963135 /nfs/dbraw/zinc/96/31/35/822963135.db2.gz ZRLHJJFXGKYLTM-UHFFFAOYSA-N -1 3 269.275 3.050 20 0 CGADHM CCCC[C@@H](CC)C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC001338258878 936313831 /nfs/dbraw/zinc/31/38/31/936313831.db2.gz WWZQTBHOQCGYPA-SNVBAGLBSA-N -1 3 276.340 3.220 20 0 CGADHM Cc1cnc2ccccc2c1N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC001345458022 936811927 /nfs/dbraw/zinc/81/19/27/936811927.db2.gz CJGOKUUBEPQZIA-YPMHNXCESA-N -1 3 284.359 3.090 20 0 CGADHM Cc1cc(C)c2cc(C(=O)Nc3ncccc3[O-])sc2n1 ZINC001348036734 936908055 /nfs/dbraw/zinc/90/80/55/936908055.db2.gz ZGTSVXRHRTXQLI-UHFFFAOYSA-N -1 3 299.355 3.266 20 0 CGADHM [O-]c1ccc(F)c(CN2CC(c3ccc(F)cc3)C2)c1F ZINC001348074185 936909604 /nfs/dbraw/zinc/90/96/04/936909604.db2.gz DUJJQSDHPYVYTL-UHFFFAOYSA-N -1 3 293.288 3.409 20 0 CGADHM O=C([N-]c1c(F)cccc1F)c1coc2c1C(=O)CCC2 ZINC001351532981 937019447 /nfs/dbraw/zinc/01/94/47/937019447.db2.gz XXDMYMHSJDWNHE-UHFFFAOYSA-N -1 3 291.253 3.329 20 0 CGADHM COc1cc(NCc2ccc([O-])c(F)c2)c(C)c(OC)c1 ZINC001355312389 937135688 /nfs/dbraw/zinc/13/56/88/937135688.db2.gz JLZAZSPELGDUHU-UHFFFAOYSA-N -1 3 291.322 3.469 20 0 CGADHM Cc1ncc(Nc2cc(Cl)cnc2OC(C)C)c(=O)[n-]1 ZINC001203314169 928270637 /nfs/dbraw/zinc/27/06/37/928270637.db2.gz POVONPWSHTVWOZ-UHFFFAOYSA-N -1 3 294.742 3.070 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)Nc1cccc2ncccc21 ZINC001440584722 937331598 /nfs/dbraw/zinc/33/15/98/937331598.db2.gz VULZKKHEQFYDDK-UHFFFAOYSA-N -1 3 296.301 3.261 20 0 CGADHM CC(C)c1ccc(C(=O)NC[C@H]2CC2(C)C)c([O-])c1 ZINC001443773102 937348514 /nfs/dbraw/zinc/34/85/14/937348514.db2.gz SVPZNWZJZQYDEJ-GFCCVEGCSA-N -1 3 261.365 3.292 20 0 CGADHM COc1ccc(C(=O)NC[C@@H]2CCC[C@H](C)[C@H]2C)c([O-])c1 ZINC001448660581 937375673 /nfs/dbraw/zinc/37/56/73/937375673.db2.gz IYQBWRRUDBYYGG-XQQFMLRXSA-N -1 3 291.391 3.203 20 0 CGADHM O=C(Nc1c([O-])cccc1Cl)c1ccncc1Cl ZINC001450258086 937384838 /nfs/dbraw/zinc/38/48/38/937384838.db2.gz BDQQKEPKSWFUSE-UHFFFAOYSA-N -1 3 283.114 3.346 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)N(C)Cc2c(C)cccc2C)n1 ZINC001460850224 937548777 /nfs/dbraw/zinc/54/87/77/937548777.db2.gz OKASKDSVZQWHSA-CQSZACIVSA-N -1 3 285.391 3.300 20 0 CGADHM Cc1cc(C)c2c(c1)CCN(C(=O)c1ccccc1[O-])C2 ZINC000188035897 932024562 /nfs/dbraw/zinc/02/45/62/932024562.db2.gz HGPGDUBAQJDHEF-UHFFFAOYSA-N -1 3 281.355 3.208 20 0 CGADHM [O-]c1cc(Br)cnc1O[C@H]1C=CCCC1 ZINC001228955909 932058712 /nfs/dbraw/zinc/05/87/12/932058712.db2.gz MLTLXCWZQGBBAW-VIFPVBQESA-N -1 3 270.126 3.037 20 0 CGADHM C[C@H](Oc1cc(O)cc([O-])c1Br)C1CCC1 ZINC001229101092 932094886 /nfs/dbraw/zinc/09/48/86/932094886.db2.gz XWMLMUXKEJLKFY-ZETCQYMHSA-N -1 3 287.153 3.428 20 0 CGADHM [O-]c1cccc(OC2CC(F)(F)C2)c1Br ZINC001229139922 932103746 /nfs/dbraw/zinc/10/37/46/932103746.db2.gz OLLVTPXPDSYFCL-UHFFFAOYSA-N -1 3 279.080 3.331 20 0 CGADHM Cc1csc2[n-]c(=S)nc(O[C@@H]3CCOC[C@H]3C)c12 ZINC001229353141 932138806 /nfs/dbraw/zinc/13/88/06/932138806.db2.gz LWTDYIZWJABVKF-VXNVDRBHSA-N -1 3 296.417 3.092 20 0 CGADHM c1ccc(-c2nnn[n-]2)c(OC2CCCCCCC2)c1 ZINC001229955460 932509375 /nfs/dbraw/zinc/50/93/75/932509375.db2.gz WAKLYQZQOWYLQS-UHFFFAOYSA-N -1 3 272.352 3.358 20 0 CGADHM c1ccc(-c2nn[n-]n2)c(OC2CCCCCCC2)c1 ZINC001229955460 932509380 /nfs/dbraw/zinc/50/93/80/932509380.db2.gz WAKLYQZQOWYLQS-UHFFFAOYSA-N -1 3 272.352 3.358 20 0 CGADHM CCC[C@@H](Oc1ccccc1-c1nnn[n-]1)C(C)(C)C ZINC001229954576 932509459 /nfs/dbraw/zinc/50/94/59/932509459.db2.gz MKXOCRKXIOSQQP-CYBMUJFWSA-N -1 3 274.368 3.460 20 0 CGADHM CCC[C@@H](Oc1ccccc1-c1nn[n-]n1)C(C)(C)C ZINC001229954576 932509465 /nfs/dbraw/zinc/50/94/65/932509465.db2.gz MKXOCRKXIOSQQP-CYBMUJFWSA-N -1 3 274.368 3.460 20 0 CGADHM C[C@@H]1CC[C@@H](Oc2nc(=O)[n-]cc2-c2ccccc2)C1 ZINC001230971809 932650252 /nfs/dbraw/zinc/65/02/52/932650252.db2.gz BUJMSGUCTLDXLT-DGCLKSJQSA-N -1 3 270.332 3.417 20 0 CGADHM Fc1ccc2c(c1)CC[C@@H]2Oc1ccc(-c2nn[n-]n2)cc1 ZINC001231077840 932672387 /nfs/dbraw/zinc/67/23/87/932672387.db2.gz XDIUTJKRYRRVPT-HNNXBMFYSA-N -1 3 296.305 3.072 20 0 CGADHM O=c1nc2cccc(F)c2c(OC2CCC(F)(F)CC2)[n-]1 ZINC001231075332 932673279 /nfs/dbraw/zinc/67/32/79/932673279.db2.gz CJHPQIPZCBFPSB-UHFFFAOYSA-N -1 3 298.264 3.431 20 0 CGADHM CC/C=C(\C)[C@H](CC)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001231077891 932674255 /nfs/dbraw/zinc/67/42/55/932674255.db2.gz YJAQHCYRCOPKOR-MUAYPFOZSA-N -1 3 272.352 3.380 20 0 CGADHM CCc1cccc(N(C)Cc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC001307823303 933005109 /nfs/dbraw/zinc/00/51/09/933005109.db2.gz MTMSPYZSAWCPFE-UHFFFAOYSA-N -1 3 283.375 3.258 20 0 CGADHM C[C@@H]1C[C@H]1N(Cc1cc(=O)[n-]c(C2CC2)n1)c1ccccc1 ZINC001307838325 933007253 /nfs/dbraw/zinc/00/72/53/933007253.db2.gz UEPUCOMUHZMICK-MLGOLLRUSA-N -1 3 295.386 3.475 20 0 CGADHM CCN(CC1CC1)C(=O)c1cc2sccc2c([O-])c1 ZINC001465008233 937697125 /nfs/dbraw/zinc/69/71/25/937697125.db2.gz FFFGLDOTBPWZPU-UHFFFAOYSA-N -1 3 275.373 3.479 20 0 CGADHM CCOC[C@@H](NC(=O)c1ccc(C(C)C)cc1[O-])C(C)C ZINC001467659751 937720561 /nfs/dbraw/zinc/72/05/61/937720561.db2.gz XDRYBZRDCFZPQM-OAHLLOKOSA-N -1 3 293.407 3.307 20 0 CGADHM Cc1c2occ(CC(=O)[N-]OCC3CC3)c2ccc1Cl ZINC001468392904 937727567 /nfs/dbraw/zinc/72/75/67/937727567.db2.gz RZMMLYNZIJWCFC-UHFFFAOYSA-N -1 3 293.750 3.395 20 0 CGADHM CC(C)CN(CC(C)(C)C)C(=O)c1ccc(O)cc1[O-] ZINC001320793297 934105777 /nfs/dbraw/zinc/10/57/77/934105777.db2.gz QBNXADXYCRHDAA-UHFFFAOYSA-N -1 3 279.380 3.242 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2nc3ccccc3n2C)c1 ZINC001471748127 937769196 /nfs/dbraw/zinc/76/91/96/937769196.db2.gz NGQBOIOTZYRTKD-UHFFFAOYSA-N -1 3 295.342 3.094 20 0 CGADHM Fc1cccc2nc([N-]c3cnn(-c4ccccn4)c3)oc21 ZINC001472704076 937781137 /nfs/dbraw/zinc/78/11/37/937781137.db2.gz RULCBJIBOSRBJC-UHFFFAOYSA-N -1 3 295.277 3.291 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)N1CC[C@H]2CCCC[C@H]2C1 ZINC001326427966 934978594 /nfs/dbraw/zinc/97/85/94/934978594.db2.gz WLLWOPIGYQGRMV-KGLIPLIRSA-N -1 3 291.366 3.113 20 0 CGADHM Cc1ccccc1C(F)(F)C(=O)[N-]C1(C(F)F)CC1 ZINC001327067686 935025725 /nfs/dbraw/zinc/02/57/25/935025725.db2.gz OUJWAGOISLGMFE-UHFFFAOYSA-N -1 3 275.245 3.001 20 0 CGADHM CC(C)(C)c1ccc(NCc2c(F)ccc([O-])c2F)nn1 ZINC001327602220 935073293 /nfs/dbraw/zinc/07/32/93/935073293.db2.gz ZIQFSJDRPAESFK-UHFFFAOYSA-N -1 3 293.317 3.370 20 0 CGADHM CC(C)c1ocnc1CN1[C@H](C)C[C@H](C)[C@@H](C(=O)[O-])[C@@H]1C ZINC001334739518 936111385 /nfs/dbraw/zinc/11/13/85/936111385.db2.gz WZKVIFZORQBKHD-KZVDOYCCSA-N -1 3 294.395 3.118 20 0 CGADHM CC(C)c1oncc1[N-]C(=O)c1csc(NC2CC2)n1 ZINC001336089350 936175241 /nfs/dbraw/zinc/17/52/41/936175241.db2.gz RIPRWEJPFPSDJH-UHFFFAOYSA-N -1 3 292.364 3.081 20 0 CGADHM O=C([N-]OC1CCCCC1)C1(Cc2ccc(O)cc2)CC1 ZINC001337177810 936241844 /nfs/dbraw/zinc/24/18/44/936241844.db2.gz NLLSHRHKOZCOBV-UHFFFAOYSA-N -1 3 289.375 3.095 20 0 CGADHM CC(C)c1oncc1[N-]C(=O)c1cnc(C2CC2)s1 ZINC001514580609 938001903 /nfs/dbraw/zinc/00/19/03/938001903.db2.gz KTXGBDQESKXMEL-UHFFFAOYSA-N -1 3 277.349 3.384 20 0 CGADHM C[C@@H](OC(=O)c1cccc2[n-]c(C(F)F)nc21)C(F)F ZINC001525358174 938048685 /nfs/dbraw/zinc/04/86/85/938048685.db2.gz AOIXIYHGBFJORH-RXMQYKEDSA-N -1 3 290.216 3.311 20 0 CGADHM O=C(Oc1ccc2c(c1)CCO2)c1cccc(Cl)c1[O-] ZINC001530579755 938078579 /nfs/dbraw/zinc/07/85/79/938078579.db2.gz LGACPGCXRVUJLD-UHFFFAOYSA-N -1 3 290.702 3.200 20 0 CGADHM C[C@H]([C@H](C)C(=O)Nc1nnc(C(F)(F)F)[n-]1)C(C)(C)C ZINC001538229931 938116449 /nfs/dbraw/zinc/11/64/49/938116449.db2.gz NGWDUUPRBMMVTB-NKWVEPMBSA-N -1 3 292.305 3.080 20 0 CGADHM C[C@H]([C@H](C)C(=O)Nc1nc(C(F)(F)F)n[n-]1)C(C)(C)C ZINC001538229931 938116450 /nfs/dbraw/zinc/11/64/50/938116450.db2.gz NGWDUUPRBMMVTB-NKWVEPMBSA-N -1 3 292.305 3.080 20 0 CGADHM CC1CCC(C)(C(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC001545634850 938150268 /nfs/dbraw/zinc/15/02/68/938150268.db2.gz OLAWOSNCCRNZPM-UHFFFAOYSA-N -1 3 279.355 3.364 20 0 CGADHM Cc1ccc(C(=O)N[C@H]2[C@H](C)CCC[C@@H]2C)c([O-])c1 ZINC001556547223 938204307 /nfs/dbraw/zinc/20/43/07/938204307.db2.gz ZHIBYGMWDFQVFG-JYAVWHMHSA-N -1 3 261.365 3.255 20 0 CGADHM CC(C)c1ccc(C(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)nc1 ZINC001556722826 938205371 /nfs/dbraw/zinc/20/53/71/938205371.db2.gz DNYXXUOFDZKWFB-UHFFFAOYSA-N -1 3 296.330 3.039 20 0 CGADHM CCc1nc(C(=O)Nc2c([O-])cccc2Cl)c(C)o1 ZINC001556784390 938205765 /nfs/dbraw/zinc/20/57/65/938205765.db2.gz SCMGQLQLZRXXDE-UHFFFAOYSA-N -1 3 280.711 3.157 20 0 CGADHM C=COc1ccc(NC(=O)c2cc(C)ccc2[O-])cc1 ZINC001556964598 938206874 /nfs/dbraw/zinc/20/68/74/938206874.db2.gz GHFOURBHCDTBIB-UHFFFAOYSA-N -1 3 269.300 3.475 20 0 CGADHM CCc1ccc(C(=O)NC2(CC(C)C)CC2)c([O-])c1 ZINC001557620126 938211148 /nfs/dbraw/zinc/21/11/48/938211148.db2.gz QRXQMXQZZSVVDX-UHFFFAOYSA-N -1 3 261.365 3.263 20 0 CGADHM CC(C)c1ccc(C(=O)N[C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)c([O-])c1 ZINC001557937802 938212552 /nfs/dbraw/zinc/21/25/52/938212552.db2.gz YXZVCNCPQWRSOD-YRORDHRNSA-N -1 3 291.391 3.057 20 0 CGADHM O=C(NC[C@@H]1C[C@H]1Cc1ccccc1)c1ccccc1[O-] ZINC001558809020 938217912 /nfs/dbraw/zinc/21/79/12/938217912.db2.gz ZGHJFNHKDQBUID-CABCVRRESA-N -1 3 281.355 3.001 20 0 CGADHM O=C(NC[C@H]1C[C@H]1Cc1ccccc1)c1ccccc1[O-] ZINC001558809022 938217960 /nfs/dbraw/zinc/21/79/60/938217960.db2.gz ZGHJFNHKDQBUID-HUUCEWRRSA-N -1 3 281.355 3.001 20 0 CGADHM COC(=O)c1cnc(SC[C@H]2CC3CCC2CC3)[n-]1 ZINC001559400487 938226170 /nfs/dbraw/zinc/22/61/70/938226170.db2.gz GRYVHRUBMPJCDX-VQXHTEKXSA-N -1 3 280.393 3.115 20 0 CGADHM CC[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1cc(C)c(Cl)s1 ZINC001561273568 938293797 /nfs/dbraw/zinc/29/37/97/938293797.db2.gz KUQPPZZPANNFFF-VXNVDRBHSA-N -1 3 295.857 3.423 20 0 CGADHM Cc1cccc(CN2Cc3ccccc3C[C@H]2C(=O)[O-])c1F ZINC000384499377 971929702 /nfs/dbraw/zinc/92/97/02/971929702.db2.gz BXPMADKLSFUQJT-INIZCTEOSA-N -1 3 299.345 3.146 20 0 CGADHM Cn1cccc1[C@H]1CCCN1Cc1cccc(C(=O)[O-])c1 ZINC001594551622 955731564 /nfs/dbraw/zinc/73/15/64/955731564.db2.gz ODZKMROCBCCZRU-MRXNPFEDSA-N -1 3 284.359 3.060 20 0 CGADHM COc1ccccc1[C@H](C)N[C@@H](C(=O)[O-])c1ccccc1 ZINC000050508922 957492795 /nfs/dbraw/zinc/49/27/95/957492795.db2.gz GASRSLZPLRMIGH-BLLLJJGKSA-N -1 3 285.343 3.172 20 0 CGADHM Cc1ccncc1[C@H](C)NCc1ccc(C(=O)[O-])s1 ZINC001594429631 959162890 /nfs/dbraw/zinc/16/28/90/959162890.db2.gz JIMOXOQZMJXMAI-JTQLQIEISA-N -1 3 276.361 3.001 20 0 CGADHM O=C([O-])[C@@H](N[C@@H]1CCC(F)(F)C1)c1ccccc1Cl ZINC001601665808 960547220 /nfs/dbraw/zinc/54/72/20/960547220.db2.gz HDIAVDDGDYFCNF-KCJUWKMLSA-N -1 3 289.709 3.243 20 0 CGADHM O=C([O-])CCCCCNCc1ccnc(Cl)c1Cl ZINC001601985539 960548554 /nfs/dbraw/zinc/54/85/54/960548554.db2.gz GKSQVPHERFCBHU-UHFFFAOYSA-N -1 3 291.178 3.123 20 0 CGADHM O=C(Nc1cccc([O-])c1F)c1ccc2scnc2c1 ZINC001566435667 960934898 /nfs/dbraw/zinc/93/48/98/960934898.db2.gz RZBKAWJIJAMBDL-UHFFFAOYSA-N -1 3 288.303 3.393 20 0 CGADHM O=C(CC/C=C\c1ccccc1)[N-]OCc1ccccn1 ZINC001570186483 961923693 /nfs/dbraw/zinc/92/36/93/961923693.db2.gz PHDOMDOOTXUHTQ-WMZJFQQLSA-N -1 3 282.343 3.123 20 0 CGADHM CCCCC1(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)CC1 ZINC001577500464 962551394 /nfs/dbraw/zinc/55/13/94/962551394.db2.gz YNRVXNKGRWVUJD-UHFFFAOYSA-N -1 3 299.378 3.084 20 0 CGADHM CCCCC1(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)CC1 ZINC001577500464 962551408 /nfs/dbraw/zinc/55/14/08/962551408.db2.gz YNRVXNKGRWVUJD-UHFFFAOYSA-N -1 3 299.378 3.084 20 0 CGADHM Cc1cc(F)c(-c2nnn[n-]2)c(NC23CCC(CC2)C3)c1 ZINC001580930297 962751007 /nfs/dbraw/zinc/75/10/07/962751007.db2.gz AQMRFZKJLNKPBX-UHFFFAOYSA-N -1 3 287.342 3.059 20 0 CGADHM Cc1cc(F)c(-c2nn[n-]n2)c(NC23CCC(CC2)C3)c1 ZINC001580930297 962751020 /nfs/dbraw/zinc/75/10/20/962751020.db2.gz AQMRFZKJLNKPBX-UHFFFAOYSA-N -1 3 287.342 3.059 20 0 CGADHM O=C([N-]c1ccsn1)c1cc(-c2cccc(F)c2)no1 ZINC001583225597 962780719 /nfs/dbraw/zinc/78/07/19/962780719.db2.gz XWJVQFRKAGTPMC-UHFFFAOYSA-N -1 3 289.291 3.190 20 0 CGADHM CCc1ccc(C(=O)N[C@H]2CC[C@H](C)CC2)c([O-])c1 ZINC001585675720 963034276 /nfs/dbraw/zinc/03/42/76/963034276.db2.gz CITVKPFHEVLSOZ-AULYBMBSSA-N -1 3 261.365 3.263 20 0 CGADHM C[C@@H]1CCCN1C(=O)c1cc2sccc2c([O-])c1 ZINC001586832841 963141985 /nfs/dbraw/zinc/14/19/85/963141985.db2.gz WZWAZVMQVPASQR-SECBINFHSA-N -1 3 261.346 3.231 20 0 CGADHM C/C(=C/CN1CCc2cc(C(C)(C)C)ccc2C1)C(=O)[O-] ZINC001588960960 963337724 /nfs/dbraw/zinc/33/77/24/963337724.db2.gz AZODLTATLFNXNS-QPEQYQDCSA-N -1 3 287.403 3.373 20 0 CGADHM CC(C)(C)C(F)(F)CNc1cc(F)ccc1-c1nnn[n-]1 ZINC001589092843 963343093 /nfs/dbraw/zinc/34/30/93/963343093.db2.gz OSPPUKIQXADTCE-UHFFFAOYSA-N -1 3 299.300 3.099 20 0 CGADHM CC(C)(C)C(F)(F)CNc1cc(F)ccc1-c1nn[n-]n1 ZINC001589092843 963343103 /nfs/dbraw/zinc/34/31/03/963343103.db2.gz OSPPUKIQXADTCE-UHFFFAOYSA-N -1 3 299.300 3.099 20 0 CGADHM C[C@H](NCCC1=CCCCC1)c1ncc(C(=O)[O-])s1 ZINC000314993300 963840505 /nfs/dbraw/zinc/84/05/05/963840505.db2.gz QQONHKUBJVGBAP-JTQLQIEISA-N -1 3 280.393 3.382 20 0 CGADHM CC(C)(CCSc1ccncc1-c1nnn[n-]1)C1CC1 ZINC001589275807 963977681 /nfs/dbraw/zinc/97/76/81/963977681.db2.gz JFMFHWUVGPBWAW-UHFFFAOYSA-N -1 3 289.408 3.180 20 0 CGADHM CC(C)(CCSc1ccncc1-c1nn[n-]n1)C1CC1 ZINC001589275807 963977690 /nfs/dbraw/zinc/97/76/90/963977690.db2.gz JFMFHWUVGPBWAW-UHFFFAOYSA-N -1 3 289.408 3.180 20 0 CGADHM CC(C)=CCC[C@H](C)Nc1nccc(C)c1-c1nnn[n-]1 ZINC001589372813 963982587 /nfs/dbraw/zinc/98/25/87/963982587.db2.gz VUUVKIQDMXIXMV-LBPRGKRZSA-N -1 3 286.383 3.117 20 0 CGADHM CC(C)=CCC[C@H](C)Nc1nccc(C)c1-c1nn[n-]n1 ZINC001589372813 963982595 /nfs/dbraw/zinc/98/25/95/963982595.db2.gz VUUVKIQDMXIXMV-LBPRGKRZSA-N -1 3 286.383 3.117 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2cc(C)c(C)c(O)c2)c1 ZINC001589600902 964006369 /nfs/dbraw/zinc/00/63/69/964006369.db2.gz IEQHAPMOCRRFEN-UHFFFAOYSA-N -1 3 271.316 3.275 20 0 CGADHM Cc1ccc(F)c(CN2[C@H](C)CCC[C@@H]2C(=O)[O-])c1F ZINC001605282241 973078895 /nfs/dbraw/zinc/07/88/95/973078895.db2.gz UWTQSVGCXRTRSG-ZWNOBZJWSA-N -1 3 283.318 3.101 20 0 CGADHM O=C([O-])c1cccc(CN2C3CCC2CC3)c1Cl ZINC000399560384 973226675 /nfs/dbraw/zinc/22/66/75/973226675.db2.gz WFSJVQSQWLSUNR-UHFFFAOYSA-N -1 3 265.740 3.165 20 0 CGADHM CC(C)c1nc([C@H](C)N[C@@H]2CC=C(C(=O)[O-])C2)cs1 ZINC001592014714 976694546 /nfs/dbraw/zinc/69/45/46/976694546.db2.gz FXVWHSHYKJGEHK-GXSJLCMTSA-N -1 3 280.393 3.091 20 0 CGADHM CC(C)c1nc([C@H](C)N[C@H]2CC[C@@H](C(=O)[O-])C2)cs1 ZINC001592015859 976699964 /nfs/dbraw/zinc/69/99/64/976699964.db2.gz RPWFTVPFHMMYTI-AXFHLTTASA-N -1 3 282.409 3.170 20 0 CGADHM CCCC[C@H](N[C@H](CF)c1ccc(F)cc1)C(=O)[O-] ZINC001595637515 981931907 /nfs/dbraw/zinc/93/19/07/981931907.db2.gz JXSRLHDBHUFRNG-QWHCGFSZSA-N -1 3 271.307 3.069 20 0 CGADHM CCCCO[C@@H]1C[C@@H](NCc2occc2C(=O)[O-])C1(C)C ZINC001595771344 982519600 /nfs/dbraw/zinc/51/96/00/982519600.db2.gz YCLAWAYRBOCDNI-ZIAGYGMSSA-N -1 3 295.379 3.051 20 0 CGADHM CCCN(CC(C)C)[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001595862668 982798605 /nfs/dbraw/zinc/79/86/05/982798605.db2.gz DWZNHAOWBJRTRU-JTQLQIEISA-N -1 3 270.398 3.270 20 0 CGADHM Cc1[nH]c(CN2CC3(CCCC3)[C@@H]2C(C)C)cc1C(=O)[O-] ZINC001599962209 985807008 /nfs/dbraw/zinc/80/70/08/985807008.db2.gz MQLMETUWTNZVFW-HNNXBMFYSA-N -1 3 290.407 3.422 20 0 CGADHM Cc1[nH]c2ccc(CNCc3ccc(C(=O)[O-])[nH]3)cc2c1C ZINC001599964987 985885246 /nfs/dbraw/zinc/88/52/46/985885246.db2.gz HNUHWVKQYLTBLZ-UHFFFAOYSA-N -1 3 297.358 3.101 20 0 CGADHM CC1CN(Cc2ccc(-c3ccccc3C(=O)[O-])o2)C1 ZINC001594534267 986141960 /nfs/dbraw/zinc/14/19/60/986141960.db2.gz JGCVMFDPGJOEIT-UHFFFAOYSA-N -1 3 271.316 3.097 20 0 CGADHM C[C@H]1CN(Cc2ccc(-c3ccccc3C(=O)[O-])o2)[C@H]1C ZINC001594535082 986145527 /nfs/dbraw/zinc/14/55/27/986145527.db2.gz LOHSPSWMGNVZKR-RYUDHWBXSA-N -1 3 285.343 3.485 20 0 CGADHM CCc1ccc(CN[C@](C)(CC(=O)[O-])c2ccncc2)cc1 ZINC001597530112 988180114 /nfs/dbraw/zinc/18/01/14/988180114.db2.gz HJEJSOFTLIZTQN-GOSISDBHSA-N -1 3 298.386 3.124 20 0 CGADHM CC(C)(F)CCN[C@@H](C(=O)[O-])c1c(F)cccc1Cl ZINC001590834165 990691619 /nfs/dbraw/zinc/69/16/19/990691619.db2.gz XHWMGCWZTWIPOE-LLVKDONJSA-N -1 3 291.725 3.333 20 0 CGADHM CC(C)CC[C@H]1CCCCN1Cc1cc(C(=O)[O-])no1 ZINC001591227421 992099622 /nfs/dbraw/zinc/09/96/22/992099622.db2.gz HHMAYMRYUUSQAZ-GFCCVEGCSA-N -1 3 280.368 3.164 20 0 CGADHM CC(C)CCOCCN[C@@H](C(=O)[O-])c1ccccc1Cl ZINC001591259435 992161609 /nfs/dbraw/zinc/16/16/09/992161609.db2.gz IVQCLKJJPIACBJ-CQSZACIVSA-N -1 3 299.798 3.118 20 0 CGADHM CN(Cc1cc(F)ccc1Cl)C(C)(C)CC(=O)[O-] ZINC001598508348 992533666 /nfs/dbraw/zinc/53/36/66/992533666.db2.gz CRFDHSCJVJFMSA-UHFFFAOYSA-N -1 3 273.735 3.164 20 0 CGADHM C[C@@H](N[C@@H](C(=O)[O-])c1ccc(F)cc1)c1ccsc1 ZINC001593196981 994160170 /nfs/dbraw/zinc/16/01/70/994160170.db2.gz XOQSSCBPBJEEOG-NOZJJQNGSA-N -1 3 279.336 3.364 20 0 CGADHM C[C@H](c1ncc(C(=O)[O-])s1)N(C)C[C@@H]1CC=CCC1 ZINC001593732115 996307981 /nfs/dbraw/zinc/30/79/81/996307981.db2.gz OGUMDVGWYNZDID-GHMZBOCLSA-N -1 3 280.393 3.190 20 0 CGADHM C[C@@H](c1ncc(C(=O)[O-])s1)N1CCC[C@H]1C1CCC1 ZINC001593732174 996308942 /nfs/dbraw/zinc/30/89/42/996308942.db2.gz PGYMUORSRSLSHC-ONGXEEELSA-N -1 3 280.393 3.167 20 0 CGADHM C[C@@H](c1nc2ccccc2o1)N1CCC[C@](C)(C(=O)[O-])C1 ZINC001593734377 996323901 /nfs/dbraw/zinc/32/39/01/996323901.db2.gz TVKBEZSCKUPYIK-ZBEGNZNMSA-N -1 3 288.347 3.076 20 0 CGADHM O=C(c1cccc([O-])c1)N1CC2(CCC2)[C@@H]1c1ccncc1 ZINC000621163750 349465101 /nfs/dbraw/zinc/46/51/01/349465101.db2.gz VVZRRSQSLPWCSE-INIZCTEOSA-N -1 3 294.354 3.155 20 0 CGADHM CCOCC1(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])CC1 ZINC000337656982 214199938 /nfs/dbraw/zinc/19/99/38/214199938.db2.gz NUMRZRNEBMVUGA-UHFFFAOYSA-N -1 3 291.391 3.445 20 0 CGADHM C[C@@H]1C[C@H](C)N(C(=O)c2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000621878962 349600901 /nfs/dbraw/zinc/60/09/01/349600901.db2.gz GRQGMAJBWJXJTJ-BDAKNGLRSA-N -1 3 287.281 3.282 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)c1-c1ccccc1 ZINC000621809370 349594251 /nfs/dbraw/zinc/59/42/51/349594251.db2.gz VBJRAWAAMASSHJ-KFWWJZLASA-N -1 3 295.386 3.182 20 0 CGADHM CC[C@](C)(OC)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000359709934 529380171 /nfs/dbraw/zinc/38/01/71/529380171.db2.gz HDEBOBGNZILDLI-LBPRGKRZSA-N -1 3 291.269 3.165 20 0 CGADHM CCCCC[C@@H]1CCCN1C(=O)c1cc(F)c[n-]c1=O ZINC000621919394 349607935 /nfs/dbraw/zinc/60/79/35/349607935.db2.gz GYIAMJFEASDHKN-GFCCVEGCSA-N -1 3 280.343 3.111 20 0 CGADHM CCCC[C@@H](C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1)C(C)C ZINC000621986000 349617975 /nfs/dbraw/zinc/61/79/75/349617975.db2.gz VHSVQXUYNLGCLT-TZMCWYRMSA-N -1 3 293.411 3.084 20 0 CGADHM C[C@H]1CCCN(Cc2c(F)ccc([O-])c2F)CC1 ZINC000350743178 219055392 /nfs/dbraw/zinc/05/53/92/219055392.db2.gz FVDAYHBGJIRXSN-JTQLQIEISA-N -1 3 255.308 3.292 20 0 CGADHM CC1(C)CC(NC(=O)c2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000622183543 349643164 /nfs/dbraw/zinc/64/31/64/349643164.db2.gz YCFWIGYJERMTTA-UHFFFAOYSA-N -1 3 287.281 3.329 20 0 CGADHM CC[C@@H](C)[C@](C)(O)CNC(=O)c1ccc(C(C)C)cc1[O-] ZINC000436951665 529427250 /nfs/dbraw/zinc/42/72/50/529427250.db2.gz ZTEHMJQUINICGQ-SJKOYZFVSA-N -1 3 293.407 3.043 20 0 CGADHM CC1(C)Cc2cc(C(=O)Nc3ccccc3[O-])ccc2O1 ZINC000622322121 349671160 /nfs/dbraw/zinc/67/11/60/349671160.db2.gz ACXFBIXUSQQQHJ-UHFFFAOYSA-N -1 3 283.327 3.358 20 0 CGADHM CCc1ccc([O-])c(C(=O)N[C@@H](C)C2CCCC2)c1 ZINC000622372802 349675854 /nfs/dbraw/zinc/67/58/54/349675854.db2.gz YESGVUFSQALOIK-NSHDSACASA-N -1 3 261.365 3.263 20 0 CGADHM CCc1cc(C(=O)N(CC)C[C@@H](C)CC)ccc1[O-] ZINC000436701526 529510826 /nfs/dbraw/zinc/51/08/26/529510826.db2.gz AVWAEGPYYXUOPN-LBPRGKRZSA-N -1 3 263.381 3.463 20 0 CGADHM CCc1cc(C(=O)N2CC[C@@H](CC3CC3)C2)ccc1[O-] ZINC000359703363 529514446 /nfs/dbraw/zinc/51/44/46/529514446.db2.gz BNVDGYPIYWZGNK-ZDUSSCGKSA-N -1 3 273.376 3.217 20 0 CGADHM CCn1ccnc1C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000436722784 529566831 /nfs/dbraw/zinc/56/68/31/529566831.db2.gz MTIZXQNHLWDGIZ-UHFFFAOYSA-N -1 3 287.363 3.158 20 0 CGADHM CCc1cc(=O)[n-]c(CSC[C@H](C)C(F)(F)F)n1 ZINC000439030329 529567383 /nfs/dbraw/zinc/56/73/83/529567383.db2.gz SZYDQHKRVOGAIF-ZETCQYMHSA-N -1 3 280.315 3.176 20 0 CGADHM CC[C@H](NC(=O)c1ccc(O)cc1[O-])c1ccc(C)cc1 ZINC000436657976 529568127 /nfs/dbraw/zinc/56/81/27/529568127.db2.gz KEPDZSOGXGYDRI-HNNXBMFYSA-N -1 3 285.343 3.287 20 0 CGADHM CCc1ccc(C(=O)Nc2cnc(C(C)C)nc2)c([O-])c1 ZINC000436924232 529610738 /nfs/dbraw/zinc/61/07/38/529610738.db2.gz BTZKDBFDHHKHML-UHFFFAOYSA-N -1 3 285.347 3.120 20 0 CGADHM CCc1ccc(C(=O)N2Cc3ccccc3C2)c([O-])c1 ZINC000191272568 529601542 /nfs/dbraw/zinc/60/15/42/529601542.db2.gz JPDMNFQHAONZGL-UHFFFAOYSA-N -1 3 267.328 3.111 20 0 CGADHM C[C@@H]1CCCN(C(=O)c2cc([O-])cc(Br)c2)C1 ZINC000623359640 349789417 /nfs/dbraw/zinc/78/94/17/349789417.db2.gz ZLGZHFLQSXHADI-SECBINFHSA-N -1 3 298.180 3.027 20 0 CGADHM CC[C@H](C)N(C)C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436544277 529687287 /nfs/dbraw/zinc/68/72/87/529687287.db2.gz OIIDKIFJWBEOTB-NSHDSACASA-N -1 3 261.365 3.142 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2cnn([C@H](C)C3CC3)c2)c1 ZINC000428191719 529691974 /nfs/dbraw/zinc/69/19/74/529691974.db2.gz KVEVMUIZNQNYKV-LLVKDONJSA-N -1 3 299.374 3.374 20 0 CGADHM CC(C)c1cc(C(=O)N2CCCc3cccc([O-])c32)on1 ZINC000335705474 136376745 /nfs/dbraw/zinc/37/67/45/136376745.db2.gz HJDCETJJIYTNRQ-UHFFFAOYSA-N -1 3 286.331 3.097 20 0 CGADHM C[C@H](NC(=O)c1c[n-]nc1-c1ccccn1)c1cccs1 ZINC000351501164 219106894 /nfs/dbraw/zinc/10/68/94/219106894.db2.gz WRFNQARFPFJXHN-JTQLQIEISA-N -1 3 298.371 3.024 20 0 CGADHM C[C@H](NC(=O)c1cn[n-]c1-c1ccccn1)c1cccs1 ZINC000351501164 219106895 /nfs/dbraw/zinc/10/68/95/219106895.db2.gz WRFNQARFPFJXHN-JTQLQIEISA-N -1 3 298.371 3.024 20 0 CGADHM CN(CC1CC1)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436616363 529861052 /nfs/dbraw/zinc/86/10/52/529861052.db2.gz JDZJCTCILCAHKP-UHFFFAOYSA-N -1 3 295.382 3.465 20 0 CGADHM CC1(CNc2ccc(-n3ccc(=O)[n-]3)cc2)CCC1 ZINC000623776894 349882391 /nfs/dbraw/zinc/88/23/91/349882391.db2.gz FNFXBHMQHIAZLA-UHFFFAOYSA-N -1 3 257.337 3.180 20 0 CGADHM CN(Cc1ccc(F)c(Cl)c1)C(=O)c1ccccc1[O-] ZINC000436864878 529986869 /nfs/dbraw/zinc/98/68/69/529986869.db2.gz OODAENXSSHTZRK-UHFFFAOYSA-N -1 3 293.725 3.457 20 0 CGADHM CCCCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000007307949 344867929 /nfs/dbraw/zinc/86/79/29/344867929.db2.gz JZKRYJYFWRLWOU-UHFFFAOYSA-N -1 3 296.219 3.462 20 0 CGADHM COc1ccc(CN(C)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000037918870 344953495 /nfs/dbraw/zinc/95/34/95/344953495.db2.gz DAVSZWDJBNOFKP-UHFFFAOYSA-N -1 3 285.343 3.025 20 0 CGADHM CCc1nnc([N-]C(=O)c2cc3cccc(F)c3o2)s1 ZINC000041332007 344968777 /nfs/dbraw/zinc/96/87/77/344968777.db2.gz MXOKEVMLQJKCOW-UHFFFAOYSA-N -1 3 291.307 3.238 20 0 CGADHM Cc1c2cc(F)ccc2oc1C(=O)[N-]c1cnoc1 ZINC000623942170 349922585 /nfs/dbraw/zinc/92/25/85/349922585.db2.gz YTMPBYJVPHOYRK-UHFFFAOYSA-N -1 3 260.224 3.121 20 0 CGADHM Cc1oc(CN2CC[C@@H](c3ccccc3)C2)cc1C(=O)[O-] ZINC000050599783 345083986 /nfs/dbraw/zinc/08/39/86/345083986.db2.gz ODYNRIBZOIALIM-CQSZACIVSA-N -1 3 285.343 3.276 20 0 CGADHM CC[C@H]1C[C@H](CC(=O)Nc2ccc(C)cc2[O-])CCO1 ZINC000273245833 192085982 /nfs/dbraw/zinc/08/59/82/192085982.db2.gz UILCISAGGFIWNS-OLZOCXBDSA-N -1 3 277.364 3.234 20 0 CGADHM c1ccc(-c2nc(SC3CCCCC3)n[n-]2)nc1 ZINC000117114338 232184337 /nfs/dbraw/zinc/18/43/37/232184337.db2.gz AKWSGPJFZYLGFH-UHFFFAOYSA-N -1 3 260.366 3.292 20 0 CGADHM CCc1ccc([O-])c(NC(=O)C(=O)c2ccc(C)cc2)c1 ZINC000074827015 345483812 /nfs/dbraw/zinc/48/38/12/345483812.db2.gz NGLUSZOXSHFINR-UHFFFAOYSA-N -1 3 283.327 3.084 20 0 CGADHM COCCCn1ccc([N-]c2nc3ccccc3s2)n1 ZINC000078334544 345600876 /nfs/dbraw/zinc/60/08/76/345600876.db2.gz ALYFQDUCYKGHFM-UHFFFAOYSA-N -1 3 288.376 3.273 20 0 CGADHM C[C@H]1[C@@H](C(=O)[O-])CCN1Cc1ccccc1C(F)(F)F ZINC000092940425 345863247 /nfs/dbraw/zinc/86/32/47/345863247.db2.gz SOKIOEOJZHGIRQ-ONGXEEELSA-N -1 3 287.281 3.000 20 0 CGADHM Cc1ccc(F)cc1CN1CCC[C@H](CCC(=O)[O-])C1 ZINC000097850426 345909188 /nfs/dbraw/zinc/90/91/88/345909188.db2.gz VONRFICCWFEFIT-CYBMUJFWSA-N -1 3 279.355 3.211 20 0 CGADHM Cc1oc(CN(CCC(C)C)C2CC2)cc1C(=O)[O-] ZINC000109276572 345941184 /nfs/dbraw/zinc/94/11/84/345941184.db2.gz SUNJZMSQRHBMGK-UHFFFAOYSA-N -1 3 265.353 3.297 20 0 CGADHM O=C(C[C@H]1CCc2ccccc21)Nc1ccccc1[O-] ZINC000115708255 345973695 /nfs/dbraw/zinc/97/36/95/345973695.db2.gz OMDKUNDQUUTOKI-CYBMUJFWSA-N -1 3 267.328 3.451 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CCc3ccccc3CC2)c1 ZINC000116454973 345978167 /nfs/dbraw/zinc/97/81/67/345978167.db2.gz GXWKDGPSMSDQCV-UHFFFAOYSA-N -1 3 295.382 3.196 20 0 CGADHM C[C@@H](Cc1ccccc1F)C(=O)Nc1cccc([O-])c1F ZINC000128853784 346044289 /nfs/dbraw/zinc/04/42/89/346044289.db2.gz YYZRDDSENKFMBL-JTQLQIEISA-N -1 3 291.297 3.488 20 0 CGADHM O=C(NCc1ccc([O-])c(F)c1)c1ccc2c(c1)CCCC2 ZINC000132711107 346073111 /nfs/dbraw/zinc/07/31/11/346073111.db2.gz QCRCOWWOWZPZMA-UHFFFAOYSA-N -1 3 299.345 3.340 20 0 CGADHM C[C@H](C(=O)NCc1ccc([O-])c(F)c1)c1cccs1 ZINC000133086955 346075378 /nfs/dbraw/zinc/07/53/78/346075378.db2.gz ZZBJZQJMOQHWDB-VIFPVBQESA-N -1 3 279.336 3.013 20 0 CGADHM [O-]c1cccc(CN2CCC[C@@]3(CCCOC3)C2)c1Cl ZINC000351659287 219168415 /nfs/dbraw/zinc/16/84/15/219168415.db2.gz OSBDWRBMUKNDGX-MRXNPFEDSA-N -1 3 295.810 3.438 20 0 CGADHM CCOc1ccc(NC(=O)c2cc(C(F)(F)F)n[n-]2)cc1 ZINC000140306480 346103559 /nfs/dbraw/zinc/10/35/59/346103559.db2.gz ORXXYSVVPVEVRH-UHFFFAOYSA-N -1 3 299.252 3.080 20 0 CGADHM CCOc1ccc(NC(=O)c2cc(C(F)(F)F)[n-]n2)cc1 ZINC000140306480 346103566 /nfs/dbraw/zinc/10/35/66/346103566.db2.gz ORXXYSVVPVEVRH-UHFFFAOYSA-N -1 3 299.252 3.080 20 0 CGADHM Cc1ncsc1[N-]C(=O)c1cc(-c2ccccc2)no1 ZINC000351666591 219169325 /nfs/dbraw/zinc/16/93/25/219169325.db2.gz YOPRRUOBAWMBAH-UHFFFAOYSA-N -1 3 285.328 3.359 20 0 CGADHM O=C(Nc1ncccc1[O-])[C@H]1C[C@H]1c1cccc(Cl)c1 ZINC000149466212 346131000 /nfs/dbraw/zinc/13/10/00/346131000.db2.gz LWSNBJAXUIEJCS-RYUDHWBXSA-N -1 3 288.734 3.183 20 0 CGADHM C[C@H]1CCC[C@H]1CC(=O)Nc1cccc([O-])c1F ZINC000187722965 346261042 /nfs/dbraw/zinc/26/10/42/346261042.db2.gz UZEXFXXXDIFJND-UWVGGRQHSA-N -1 3 251.301 3.296 20 0 CGADHM CC(C)[C@]1(C(=O)[O-])CCN(Cc2ccc(F)c(Cl)c2)C1 ZINC000232751353 346327222 /nfs/dbraw/zinc/32/72/22/346327222.db2.gz ZTAOAZLIUGMEKF-HNNXBMFYSA-N -1 3 299.773 3.412 20 0 CGADHM COc1ccc(CN[C@H](C)CCC[C@H](C)C(=O)[O-])c(F)c1 ZINC000228614355 346315091 /nfs/dbraw/zinc/31/50/91/346315091.db2.gz DIVKWZUSDSYCHT-NWDGAFQWSA-N -1 3 297.370 3.203 20 0 CGADHM COc1ccc(Cl)cc1CN1CC[C@H](C)C[C@@H]1C(=O)[O-] ZINC000229296415 346317021 /nfs/dbraw/zinc/31/70/21/346317021.db2.gz MABGWGZKCCCPQB-GXFFZTMASA-N -1 3 297.782 3.034 20 0 CGADHM C[C@@H]1CCC[C@@H](NC(=O)NCc2ccc([O-])c(F)c2)[C@H]1C ZINC000247449816 346370635 /nfs/dbraw/zinc/37/06/35/346370635.db2.gz YXAXSJSAGIUOAN-UHIISALHSA-N -1 3 294.370 3.155 20 0 CGADHM CC(C)[C@@]1(C(=O)[O-])CCN([C@H](C)c2ccc(F)cc2F)C1 ZINC000300289063 346436535 /nfs/dbraw/zinc/43/65/35/346436535.db2.gz VAAXYTLUSVNPCO-BDJLRTHQSA-N -1 3 297.345 3.459 20 0 CGADHM Cc1noc(C)c1[C@@H](C)c1nc(-c2ccc([O-])cc2)no1 ZINC000350592718 346523336 /nfs/dbraw/zinc/52/33/36/346523336.db2.gz ZKKZLRQUQSMBOC-MRVPVSSYSA-N -1 3 285.303 3.199 20 0 CGADHM Cc1cccc(-c2nc(C3CCSCC3)no2)c1[O-] ZINC000402334626 346594923 /nfs/dbraw/zinc/59/49/23/346594923.db2.gz UVAMIFFOMXWSIK-UHFFFAOYSA-N -1 3 276.361 3.361 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-]C2CCCCCC2)c(F)c1 ZINC000404943144 346601772 /nfs/dbraw/zinc/60/17/72/346601772.db2.gz RBEIUNMFZZDMSA-UHFFFAOYSA-N -1 3 285.384 3.135 20 0 CGADHM Cc1cc(C(=O)Nc2cc(Cl)ccc2[O-])c(C)[nH]1 ZINC000596754536 347506760 /nfs/dbraw/zinc/50/67/60/347506760.db2.gz BOYIYWKUWAOCDL-UHFFFAOYSA-N -1 3 264.712 3.243 20 0 CGADHM CSc1ccc([O-])c(C(=O)NCC2(SC)CCC2)c1 ZINC000597577823 347582795 /nfs/dbraw/zinc/58/27/95/347582795.db2.gz VETICFROQFUCAP-UHFFFAOYSA-N -1 3 297.445 3.130 20 0 CGADHM [O-]c1cccc(CNCCSCC(F)(F)F)c1Cl ZINC000339331725 215101134 /nfs/dbraw/zinc/10/11/34/215101134.db2.gz LIKHELBONJKCPC-UHFFFAOYSA-N -1 3 299.745 3.431 20 0 CGADHM CCSCC[C@@H](C)N(C)C(=O)c1c(C)cccc1[O-] ZINC000599621895 347758649 /nfs/dbraw/zinc/75/86/49/347758649.db2.gz AXHDBMOYSGCGNS-GFCCVEGCSA-N -1 3 281.421 3.304 20 0 CGADHM Cc1ccc(NC(=O)CO[C@H]2CCC[C@H](C)C2)c([O-])c1 ZINC000602941919 348046189 /nfs/dbraw/zinc/04/61/89/348046189.db2.gz ALODAFLTKWTYJL-AAEUAGOBSA-N -1 3 277.364 3.234 20 0 CGADHM O=c1nc(Cc2ccon2)[n-]c2sc3ccccc3c21 ZINC000606538345 348190126 /nfs/dbraw/zinc/19/01/26/348190126.db2.gz PSALGHPSIUSULI-UHFFFAOYSA-N -1 3 283.312 3.129 20 0 CGADHM CC(C)(C)CCC[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000606910825 348207493 /nfs/dbraw/zinc/20/74/93/348207493.db2.gz VGNIDFITTHRNRG-UHFFFAOYSA-N -1 3 291.363 3.069 20 0 CGADHM Cc1ccc([O-])c(C(=O)N[C@H]2C[C@@H]2Cc2ccccc2)c1 ZINC000607575320 348248882 /nfs/dbraw/zinc/24/88/82/348248882.db2.gz HYRZTBZVMJGVEM-HOCLYGCPSA-N -1 3 281.355 3.062 20 0 CGADHM CCc1ccc([O-])c(C(=O)N[C@@H]2CCC[C@H](SC)C2)c1 ZINC000609771759 348352742 /nfs/dbraw/zinc/35/27/42/348352742.db2.gz BTXSKVLHARCJNW-OLZOCXBDSA-N -1 3 293.432 3.359 20 0 CGADHM CSc1ccc([O-])c(C(=O)NC[C@@]2(C)CCCS2)c1 ZINC000612310393 348509472 /nfs/dbraw/zinc/50/94/72/348509472.db2.gz XKVWBCLWAAYHSB-CQSZACIVSA-N -1 3 297.445 3.130 20 0 CGADHM CO[C@@H](C(=O)Nc1cc(Cl)cc(C)c1[O-])C1CCC1 ZINC000613036512 348561274 /nfs/dbraw/zinc/56/12/74/348561274.db2.gz UCTCMVZDTMCKBU-CYBMUJFWSA-N -1 3 283.755 3.108 20 0 CGADHM CC[C@@H]1[C@@H](C)CCN1C(=O)c1cc(SC)ccc1[O-] ZINC000613626820 348624105 /nfs/dbraw/zinc/62/41/05/348624105.db2.gz PUEVYIYOPLBUPA-GXFFZTMASA-N -1 3 279.405 3.375 20 0 CGADHM COc1ccc(NC(=O)C2CCC3(CC3)CC2)c([O-])c1 ZINC000613832623 348634293 /nfs/dbraw/zinc/63/42/93/348634293.db2.gz FCBOTQWVHSELIO-UHFFFAOYSA-N -1 3 275.348 3.310 20 0 CGADHM CCCC1(C(=O)NCc2ccc([O-])c3ncccc23)CC1 ZINC000616025813 348782404 /nfs/dbraw/zinc/78/24/04/348782404.db2.gz VPIHMXQREITCNI-UHFFFAOYSA-N -1 3 284.359 3.137 20 0 CGADHM CC[C@@H](C)[C@@H](C)C(=O)NCc1ccc([O-])c2ncccc12 ZINC000616022110 348782440 /nfs/dbraw/zinc/78/24/40/348782440.db2.gz CLGNTQKTMTYMFK-VXGBXAGGSA-N -1 3 286.375 3.239 20 0 CGADHM Cc1noc(C)c1[C@@H](C)C(=O)Nc1ccc([O-])cc1Cl ZINC000616942061 348885534 /nfs/dbraw/zinc/88/55/34/348885534.db2.gz OVMOJFOHSGCLNN-SSDOTTSWSA-N -1 3 294.738 3.393 20 0 CGADHM O=C(CC1CC(F)(F)C1)Nc1ccc([O-])cc1Cl ZINC000616943016 348885956 /nfs/dbraw/zinc/88/59/56/348885956.db2.gz LKCJSLQJTFXWAZ-UHFFFAOYSA-N -1 3 275.682 3.420 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CC[C@H]3CCCC[C@@H]3C2)o1 ZINC000358461321 233135545 /nfs/dbraw/zinc/13/55/45/233135545.db2.gz DKCPQAYYJGLZII-MGPQQGTHSA-N -1 3 297.420 3.225 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)c2ccc(Cl)cc2)o1 ZINC000358461313 233135819 /nfs/dbraw/zinc/13/58/19/233135819.db2.gz DJYWWWVUHMWWBT-JTQLQIEISA-N -1 3 299.779 3.281 20 0 CGADHM COc1ccc(C=Cc2cc(=O)[n-]c(C3CC3)n2)c(OC)c1 ZINC000352021822 219292678 /nfs/dbraw/zinc/29/26/78/219292678.db2.gz RISKBVWQGPGZAB-ALCCZGGFSA-N -1 3 298.342 3.247 20 0 CGADHM Cc1ccc(C(=O)NCC[C@]2(C)CC2(F)F)c([O-])c1C ZINC000618633318 349131307 /nfs/dbraw/zinc/13/13/07/349131307.db2.gz IAYFNIPZUVMTRQ-CQSZACIVSA-N -1 3 283.318 3.174 20 0 CGADHM Cc1sc2ncnc(NCc3ncccc3[O-])c2c1C ZINC000358847068 233203309 /nfs/dbraw/zinc/20/33/09/233203309.db2.gz LETUUJPMVYMKOD-UHFFFAOYSA-N -1 3 286.360 3.021 20 0 CGADHM Cc1cc(C(=O)N2CCC[C@H](C3CCC3)C2)ccc1[O-] ZINC000620205849 349338160 /nfs/dbraw/zinc/33/81/60/349338160.db2.gz FWZWRRVUAQOCGJ-HNNXBMFYSA-N -1 3 273.376 3.353 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2cccc(Cl)c2F)n1 ZINC000352038997 219299285 /nfs/dbraw/zinc/29/92/85/219299285.db2.gz BMVUSTSXKIRSGG-WAYWQWQTSA-N -1 3 264.687 3.454 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2nc3c(s2)C[C@H](C)CC3)n1 ZINC000352039975 219300190 /nfs/dbraw/zinc/30/01/90/219300190.db2.gz LRVGZRKCYQWNLM-SSJHQANKSA-N -1 3 287.388 3.242 20 0 CGADHM O=C(c1cccc2[n-]nnc21)N1CCCC[C@@H]1CC1CCC1 ZINC000620569330 349385822 /nfs/dbraw/zinc/38/58/22/349385822.db2.gz UPUMMZPPTUMQJO-CYBMUJFWSA-N -1 3 298.390 3.143 20 0 CGADHM O=C(c1cccc2nn[n-]c21)N1CCCC[C@@H]1CC1CCC1 ZINC000620569330 349385823 /nfs/dbraw/zinc/38/58/23/349385823.db2.gz UPUMMZPPTUMQJO-CYBMUJFWSA-N -1 3 298.390 3.143 20 0 CGADHM O=C(c1cccc2n[n-]nc21)N1CCCC[C@@H]1CC1CCC1 ZINC000620569330 349385824 /nfs/dbraw/zinc/38/58/24/349385824.db2.gz UPUMMZPPTUMQJO-CYBMUJFWSA-N -1 3 298.390 3.143 20 0 CGADHM Cc1noc(C)c1[C@@H](C)C(=O)Nc1ccc(C)cc1[O-] ZINC000624240124 350009521 /nfs/dbraw/zinc/00/95/21/350009521.db2.gz WDFRZMOPXOHBIU-SECBINFHSA-N -1 3 274.320 3.048 20 0 CGADHM CC(C)N(CC(F)F)C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000271227719 191014372 /nfs/dbraw/zinc/01/43/72/191014372.db2.gz CLHGJVYNGWMUCX-UHFFFAOYSA-N -1 3 297.345 3.387 20 0 CGADHM CCCN(CCc1ccccn1)C(=O)c1c(C)cccc1[O-] ZINC000624905235 350115286 /nfs/dbraw/zinc/11/52/86/350115286.db2.gz NKWJNXFQZRVCMT-UHFFFAOYSA-N -1 3 298.386 3.191 20 0 CGADHM Cc1ccc(C(=O)N(Cc2cccnc2)C2CC2)c([O-])c1C ZINC000271238914 191020471 /nfs/dbraw/zinc/02/04/71/191020471.db2.gz XMLPOTDRLDDAPZ-UHFFFAOYSA-N -1 3 296.370 3.209 20 0 CGADHM CC[C@@H]1CO[C@H](C)CN1Cc1cc([O-])ccc1Cl ZINC000625081236 350125585 /nfs/dbraw/zinc/12/55/85/350125585.db2.gz MLOOTJAIRMYHEB-ZYHUDNBSSA-N -1 3 269.772 3.045 20 0 CGADHM Cc1cccc(CNCc2c(F)ccc([O-])c2F)c1 ZINC000352071674 219310886 /nfs/dbraw/zinc/31/08/86/219310886.db2.gz LQPBJOPOXVZLSC-UHFFFAOYSA-N -1 3 263.287 3.269 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1C[C@H](C)CCC[C@@H]1C ZINC000625797187 350214949 /nfs/dbraw/zinc/21/49/49/350214949.db2.gz RTOAEVWRLABAEC-YPMHNXCESA-N -1 3 261.365 3.351 20 0 CGADHM C/C=C/C[C@H]1CCCN(Cc2cc(C(=O)[O-])c(C)o2)C1 ZINC000625971631 350237757 /nfs/dbraw/zinc/23/77/57/350237757.db2.gz NEAIQOACAVPIHX-OOPCZODUSA-N -1 3 277.364 3.464 20 0 CGADHM CCC1(CC)CCN(C(=O)c2c(C)cccc2[O-])C1 ZINC000626058631 350254163 /nfs/dbraw/zinc/25/41/63/350254163.db2.gz JRDBPEKSSQDKMI-UHFFFAOYSA-N -1 3 261.365 3.353 20 0 CGADHM CCO[C@H](C(=O)Nc1cc(Cl)ccc1[O-])C(C)C ZINC000626228134 350285491 /nfs/dbraw/zinc/28/54/91/350285491.db2.gz ZLDNCHQWUHATKN-LBPRGKRZSA-N -1 3 271.744 3.045 20 0 CGADHM C[C@@H]1CCN(C(=O)C23CC(C2)C3)c2c([O-])cccc21 ZINC000626482352 350312446 /nfs/dbraw/zinc/31/24/46/350312446.db2.gz QJNZBMNROKSGPS-VHTNMKBUSA-N -1 3 257.333 3.033 20 0 CGADHM Cc1cccc([O-])c1C(=O)N[C@H](CC(F)(F)F)C(C)C ZINC000626598711 350321894 /nfs/dbraw/zinc/32/18/94/350321894.db2.gz GIFVVAYMRWODBD-SNVBAGLBSA-N -1 3 289.297 3.407 20 0 CGADHM C[C@H](CNCc1c(F)ccc([O-])c1F)N1CCCC[C@H]1C ZINC000352123936 219329524 /nfs/dbraw/zinc/32/95/24/219329524.db2.gz STRYGHBNNDYTFL-VXGBXAGGSA-N -1 3 298.377 3.023 20 0 CGADHM CCCc1csc([N-]C(=O)c2ocnc2C(F)F)n1 ZINC000626327166 350295466 /nfs/dbraw/zinc/29/54/66/350295466.db2.gz DDXKNUGKNLCACL-UHFFFAOYSA-N -1 3 287.291 3.274 20 0 CGADHM O=C(Nc1ccc2n[nH]cc2c1)c1cc([O-])ccc1Cl ZINC000352201847 219358619 /nfs/dbraw/zinc/35/86/19/219358619.db2.gz VEDFCTBDPYYHRF-UHFFFAOYSA-N -1 3 287.706 3.174 20 0 CGADHM O=C(c1cc([O-])ccc1Cl)N1CC[C@H]2CC[C@@H](C1)S2 ZINC000628650644 350584937 /nfs/dbraw/zinc/58/49/37/350584937.db2.gz BPEBUUJBEIMOBR-MNOVXSKESA-N -1 3 297.807 3.156 20 0 CGADHM Cc1ccc(C(C)(C)CNC(=O)c2cc(C)ccc2[O-])nc1 ZINC000628721043 350597768 /nfs/dbraw/zinc/59/77/68/350597768.db2.gz UNRNLIZMKGZOTQ-UHFFFAOYSA-N -1 3 298.386 3.112 20 0 CGADHM C[C@H]1CN(Cc2cccc(C(=O)[O-])c2)C[C@H](C)C1(F)F ZINC000629365159 350679094 /nfs/dbraw/zinc/67/90/94/350679094.db2.gz UBLJFORMKPPAIG-QWRGUYRKSA-N -1 3 283.318 3.108 20 0 CGADHM Cc1cc(C(=O)N2CCCC3(CC3)CC2)ccc1[O-] ZINC000629643843 350727702 /nfs/dbraw/zinc/72/77/02/350727702.db2.gz MBKWCMUGYWAWMX-UHFFFAOYSA-N -1 3 259.349 3.107 20 0 CGADHM CC(=O)c1ccc(C(=O)N2CCCC3(CC3)CC2)cc1[O-] ZINC000629646033 350728733 /nfs/dbraw/zinc/72/87/33/350728733.db2.gz ILAOYDXVCGQRCG-UHFFFAOYSA-N -1 3 287.359 3.001 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CCCC3(CC3)CC2)c1 ZINC000629653347 350731584 /nfs/dbraw/zinc/73/15/84/350731584.db2.gz IHGXBLXBNRCSIG-UHFFFAOYSA-N -1 3 259.349 3.107 20 0 CGADHM Cn1[n-]c(=O)c2cc(-c3ccc4c(c3)CC(C)(C)O4)cnc21 ZINC000629699420 350742480 /nfs/dbraw/zinc/74/24/80/350742480.db2.gz VYZCLXDNJGFCFP-UHFFFAOYSA-N -1 3 295.342 3.054 20 0 CGADHM C/C=C/C[C@H]1CCCN(C(=O)c2cccc(OC)c2[O-])C1 ZINC000629875240 350782632 /nfs/dbraw/zinc/78/26/32/350782632.db2.gz AYURGGRNCXQGQB-OOPCZODUSA-N -1 3 289.375 3.219 20 0 CGADHM C[C@@H](CCC(=O)[O-])CNCc1c(F)ccc(F)c1Cl ZINC000630451131 350841602 /nfs/dbraw/zinc/84/16/02/350841602.db2.gz IQIYLBHTMDZBSG-QMMMGPOBSA-N -1 3 291.725 3.209 20 0 CGADHM O=C([O-])CCCCCNCc1c(F)ccc(F)c1Cl ZINC000630449511 350841950 /nfs/dbraw/zinc/84/19/50/350841950.db2.gz JIWOVMPTISYJDW-UHFFFAOYSA-N -1 3 291.725 3.353 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)[C@@H]2C[C@@H](C)O[C@@H]2C)c1[O-] ZINC000632147091 351172752 /nfs/dbraw/zinc/17/27/52/351172752.db2.gz BHJMTJXWFDHWGF-FXPVBKGRSA-N -1 3 283.755 3.106 20 0 CGADHM O=C(Nc1c([O-])cccc1Cl)[C@@H]1C[C@H]1C1CCOCC1 ZINC000633202814 351254788 /nfs/dbraw/zinc/25/47/88/351254788.db2.gz UGLKALDGAQBKPB-WDEREUQCSA-N -1 3 295.766 3.047 20 0 CGADHM C[C@@H]1C[C@H](C(=O)N2CC[C@@H](C)c3cccc([O-])c32)[C@H](C)O1 ZINC000632506683 351202043 /nfs/dbraw/zinc/20/20/43/351202043.db2.gz GYXRQWAJTOEMBO-NMKXLXIOSA-N -1 3 289.375 3.046 20 0 CGADHM CCc1cccc(C(=O)N2CC(c3ccccc3)C2)c1[O-] ZINC000633808958 351379755 /nfs/dbraw/zinc/37/97/55/351379755.db2.gz DBRKEXIAMYJPAL-UHFFFAOYSA-N -1 3 281.355 3.194 20 0 CGADHM CCC(C)(C)CCNC(=O)c1c[n-]c2ccccc2c1=O ZINC000633966779 351409259 /nfs/dbraw/zinc/40/92/59/351409259.db2.gz FIZMDDDSDBRKEN-UHFFFAOYSA-N -1 3 286.375 3.084 20 0 CGADHM CCc1[n-]n(-c2cccc(OC)c2)c(=O)c1C(C)C ZINC000634585877 351525667 /nfs/dbraw/zinc/52/56/67/351525667.db2.gz USLYOSCKSPDNDZ-AWEZNQCLSA-N -1 3 260.337 3.080 20 0 CGADHM Cc1[n-]n(Cc2ccc(Cl)cc2)c(=O)c1C1CC1 ZINC000634607425 351539736 /nfs/dbraw/zinc/53/97/36/351539736.db2.gz XAZISODQIVWGIY-ZDUSSCGKSA-N -1 3 262.740 3.084 20 0 CGADHM CC[C@H](C(=O)[O-])N(C)Cc1cc(Cl)cc(Cl)c1F ZINC000635019019 351632794 /nfs/dbraw/zinc/63/27/94/351632794.db2.gz SDXNZQNXZWPDTC-SNVBAGLBSA-N -1 3 294.153 3.428 20 0 CGADHM C[C@@]1(C2CCCCC2)CCN1C(=O)c1ccc2n[n-]nc2c1 ZINC000636387854 351749055 /nfs/dbraw/zinc/74/90/55/351749055.db2.gz NXWNWRHPLJYTCV-KRWDZBQOSA-N -1 3 298.390 3.143 20 0 CGADHM O=C(CC1CC(c2ccccc2)C1)[N-]OC/C=C/Cl ZINC000291922519 198106693 /nfs/dbraw/zinc/10/66/93/198106693.db2.gz ULGRDDINKPGRCH-QPJJXVBHSA-N -1 3 279.767 3.371 20 0 CGADHM O=C(Nc1cccc2c[nH]nc21)c1cc([O-])ccc1Cl ZINC000352283726 219393085 /nfs/dbraw/zinc/39/30/85/219393085.db2.gz IPKLPSWBAYTJKV-UHFFFAOYSA-N -1 3 287.706 3.174 20 0 CGADHM O=C(c1cccc([O-])c1)N1CCC[C@@H](Oc2ccccc2)C1 ZINC000365011290 234075826 /nfs/dbraw/zinc/07/58/26/234075826.db2.gz LENQBGNCDPMVRN-QGZVFWFLSA-N -1 3 297.354 3.076 20 0 CGADHM CCCC[C@@H](C)N(C)C(=O)c1ccc([O-])c(OC)c1 ZINC000292103121 198164603 /nfs/dbraw/zinc/16/46/03/198164603.db2.gz ZNQSQWUTGVOSQI-LLVKDONJSA-N -1 3 265.353 3.052 20 0 CGADHM Cc1ccsc1[C@H]1C[C@@H]1C(=O)[N-]OC1CCCC1 ZINC000271651700 191260009 /nfs/dbraw/zinc/26/00/09/191260009.db2.gz FIGUHMNMBKLQAL-RYUDHWBXSA-N -1 3 265.378 3.150 20 0 CGADHM O=C([N-]OCc1cccnc1)C1(Cc2ccccc2)CCC1 ZINC000155907962 188234355 /nfs/dbraw/zinc/23/43/55/188234355.db2.gz OLMMWUOHIKZZKB-UHFFFAOYSA-N -1 3 296.370 3.042 20 0 CGADHM C[C@H]([N-]c1nnc(C(F)F)o1)c1c(F)cccc1F ZINC000292484695 198306502 /nfs/dbraw/zinc/30/65/02/198306502.db2.gz MDDGEZQOWUFAPA-YFKPBYRVSA-N -1 3 275.205 3.459 20 0 CGADHM Cc1ccc(S[C@@H](C)c2nc(C)cc(=O)[n-]2)nc1 ZINC000155936665 188236041 /nfs/dbraw/zinc/23/60/41/188236041.db2.gz KACHCJAFXXBOKD-JTQLQIEISA-N -1 3 261.350 3.047 20 0 CGADHM CC(C)Oc1ccc(NC([O-])=NO[C@@H]2CCCCO2)cc1 ZINC000155751402 188225097 /nfs/dbraw/zinc/22/50/97/188225097.db2.gz NOBIZBVLIVAZGN-CQSZACIVSA-N -1 3 294.351 3.054 20 0 CGADHM CC(C)Oc1ccc(NC(=O)[N-]O[C@@H]2CCCCO2)cc1 ZINC000155751402 188225098 /nfs/dbraw/zinc/22/50/98/188225098.db2.gz NOBIZBVLIVAZGN-CQSZACIVSA-N -1 3 294.351 3.054 20 0 CGADHM O=C([N-]OCC1CC1)Nc1cccc(OC(F)(F)F)c1 ZINC000292726637 198391186 /nfs/dbraw/zinc/39/11/86/198391186.db2.gz SNPJSBNNJMXVCW-UHFFFAOYSA-N -1 3 290.241 3.048 20 0 CGADHM C[C@H](CNCc1cccc([O-])c1Cl)c1nccs1 ZINC000292746499 198397764 /nfs/dbraw/zinc/39/77/64/198397764.db2.gz AVCBCFVVXBSCNY-SECBINFHSA-N -1 3 282.796 3.395 20 0 CGADHM CC(C)(C)c1ccc(NC(=O)c2cc[nH]c(=O)c2)c([O-])c1 ZINC000336383063 213237118 /nfs/dbraw/zinc/23/71/18/213237118.db2.gz ZEBITBDGZOTYGT-UHFFFAOYSA-N -1 3 286.331 3.043 20 0 CGADHM [O-]C(=NOC1CCCC1)Nc1ccc2ncsc2c1 ZINC000271770053 191314546 /nfs/dbraw/zinc/31/45/46/191314546.db2.gz FTFZBFDAYVOAGR-UHFFFAOYSA-N -1 3 277.349 3.292 20 0 CGADHM O=C([N-]OC1CCCC1)Nc1ccc2ncsc2c1 ZINC000271770053 191314547 /nfs/dbraw/zinc/31/45/47/191314547.db2.gz FTFZBFDAYVOAGR-UHFFFAOYSA-N -1 3 277.349 3.292 20 0 CGADHM O=c1cc(CSc2ccccc2)nc(C2CC2)[n-]1 ZINC000412975159 235233055 /nfs/dbraw/zinc/23/30/55/235233055.db2.gz FAPSXMYVBRVKOR-UHFFFAOYSA-N -1 3 258.346 3.352 20 0 CGADHM O=c1cc(CSc2cccs2)nc(C2CC2)[n-]1 ZINC000412997641 235237947 /nfs/dbraw/zinc/23/79/47/235237947.db2.gz XAPAXRJFMWZUDA-UHFFFAOYSA-N -1 3 264.375 3.413 20 0 CGADHM CC[C@H](Cc1ccccc1)N(C)C(=O)c1cccc([O-])c1 ZINC000272748358 191896735 /nfs/dbraw/zinc/89/67/35/191896735.db2.gz NQXQVOOEFAOJBT-MRXNPFEDSA-N -1 3 283.371 3.486 20 0 CGADHM Cc1ccc(F)cc1CN[C@H](C(=O)[O-])c1ccccc1 ZINC000097850434 138349095 /nfs/dbraw/zinc/34/90/95/138349095.db2.gz WBZZQLLVAQNDGL-HNNXBMFYSA-N -1 3 273.307 3.050 20 0 CGADHM COc1ccsc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000106284491 138353939 /nfs/dbraw/zinc/35/39/39/138353939.db2.gz VVECXPVWPSTPPY-UHFFFAOYSA-N -1 3 283.736 3.368 20 0 CGADHM Cc1conc1[N-]C(=O)c1sccc1Br ZINC000123712668 138369268 /nfs/dbraw/zinc/36/92/68/138369268.db2.gz IXZKPOLSFYCEEZ-UHFFFAOYSA-N -1 3 287.138 3.059 20 0 CGADHM Cc1cccc([C@H](C)NC(=O)c2ccc3n[n-]nc3c2)c1C ZINC000115492566 138366038 /nfs/dbraw/zinc/36/60/38/138366038.db2.gz LYDQIQIOTUFRBB-LBPRGKRZSA-N -1 3 294.358 3.066 20 0 CGADHM CCCN(C[C@@H]1CCCCO1)C(=O)c1cc(C)ccc1[O-] ZINC000436716406 283277451 /nfs/dbraw/zinc/27/74/51/283277451.db2.gz AMZBIDZTJTVHOM-AWEZNQCLSA-N -1 3 291.391 3.122 20 0 CGADHM CC(C)=CCC[C@H](C)NC(=O)/C=C/c1cncc([O-])c1 ZINC000493634976 535365438 /nfs/dbraw/zinc/36/54/38/535365438.db2.gz UKIYTLGSGPZYFY-GWJCSSMESA-N -1 3 274.364 3.052 20 0 CGADHM N[C@@H](CC1CCCCC1)C(=O)Nc1cccc(Cl)c1[O-] ZINC000423757441 236103739 /nfs/dbraw/zinc/10/37/39/236103739.db2.gz MHMPBXOTKSWMSN-LBPRGKRZSA-N -1 3 296.798 3.282 20 0 CGADHM COc1cc(Cl)ccc1CN1CCC[C@H](C)[C@@H]1C(=O)[O-] ZINC000424271661 236139949 /nfs/dbraw/zinc/13/99/49/236139949.db2.gz PGHYUAJEVDUYMN-IINYFYTJSA-N -1 3 297.782 3.034 20 0 CGADHM [O-]c1ccc(F)c(CNC[C@@H]2C[C@H]2C2CCC2)c1F ZINC000425355239 236235320 /nfs/dbraw/zinc/23/53/20/236235320.db2.gz OEGRTFNSMUCOJG-QWRGUYRKSA-N -1 3 267.319 3.196 20 0 CGADHM COc1ccccc1CN[C@@H](C(=O)[O-])c1cc(C)cc(C)c1 ZINC000426744232 236310319 /nfs/dbraw/zinc/31/03/19/236310319.db2.gz CGRYDBONGVJYTE-QGZVFWFLSA-N -1 3 299.370 3.228 20 0 CGADHM C[C@@H](C(=O)[O-])[C@@H](NCc1cccc(F)c1)c1ccccc1 ZINC000426744541 236310401 /nfs/dbraw/zinc/31/04/01/236310401.db2.gz CZBYUHBKEQUTGF-MLGOLLRUSA-N -1 3 287.334 3.377 20 0 CGADHM C[C@@]1(C(=O)[O-])CCC[C@@H]1NCc1ccsc1Cl ZINC000426742600 236310510 /nfs/dbraw/zinc/31/05/10/236310510.db2.gz KIBBYLYUXFEBFL-JOYOIKCWSA-N -1 3 273.785 3.135 20 0 CGADHM O=C([O-])[C@H](NCc1ccc(Cl)c(F)c1)c1cccs1 ZINC000426779649 236313676 /nfs/dbraw/zinc/31/36/76/236313676.db2.gz JWLYEBRXTAHABH-GFCCVEGCSA-N -1 3 299.754 3.456 20 0 CGADHM O=C([O-])[C@H](NCc1cccc(Cl)c1)c1ccsc1 ZINC000426830174 236316957 /nfs/dbraw/zinc/31/69/57/236316957.db2.gz VVULYUQSNXXHHN-GFCCVEGCSA-N -1 3 281.764 3.317 20 0 CGADHM CCC(=O)[C@@H]1CCCCN1C(=O)c1cc([O-])ccc1Cl ZINC000294617457 199109186 /nfs/dbraw/zinc/10/91/86/199109186.db2.gz PUXCGFFREDQECL-ZDUSSCGKSA-N -1 3 295.766 3.019 20 0 CGADHM O=C(Nc1ccc(Cl)cc1[O-])[C@@H]1C[C@H]1C(F)(F)F ZINC000336202289 213021955 /nfs/dbraw/zinc/02/19/55/213021955.db2.gz XMOFSWPORJVFQX-RNFRBKRXSA-N -1 3 279.645 3.183 20 0 CGADHM C[C@@]1(c2nc(-c3ccc([O-])c4ccccc34)no2)CCOC1 ZINC000436611613 237144739 /nfs/dbraw/zinc/14/47/39/237144739.db2.gz LHHAEGRYJANSDN-QGZVFWFLSA-N -1 3 296.326 3.273 20 0 CGADHM Cc1ccc(C(=O)N2[C@@H](C)CCC[C@@H]2C)c([O-])c1C ZINC000436565341 237134222 /nfs/dbraw/zinc/13/42/22/237134222.db2.gz IYDRYFGJFXAZHC-RYUDHWBXSA-N -1 3 261.365 3.412 20 0 CGADHM C[C@H](NC(=O)c1ccccc1[O-])[C@H]1Oc2ccccc2[C@H]1C ZINC000436585644 237136827 /nfs/dbraw/zinc/13/68/27/237136827.db2.gz KKECNCKBIIHAFP-PEBVRCNWSA-N -1 3 297.354 3.075 20 0 CGADHM Cc1oc2ccccc2c1CNC(=O)c1c([O-])cccc1O ZINC000436825177 237188993 /nfs/dbraw/zinc/18/89/93/237188993.db2.gz JTHFFXUFAPBFPW-UHFFFAOYSA-N -1 3 297.310 3.082 20 0 CGADHM Cc1cccc2c(CCNC(=O)c3ccccc3[O-])c[nH]c21 ZINC000436717533 237167573 /nfs/dbraw/zinc/16/75/73/237167573.db2.gz HBHUTHLENGYJLB-UHFFFAOYSA-N -1 3 294.354 3.154 20 0 CGADHM Cc1ccc([O-])c(C(=O)NCCO[C@H]2CCCC[C@@H]2C)c1 ZINC000436733855 237169072 /nfs/dbraw/zinc/16/90/72/237169072.db2.gz YFVXJNHHTQMQIU-BBRMVZONSA-N -1 3 291.391 3.026 20 0 CGADHM Cc1nc2cc(NC(=O)c3ccc(C)c(C)c3[O-])ccc2[nH]1 ZINC000436739688 237169130 /nfs/dbraw/zinc/16/91/30/237169130.db2.gz PCZIACGBVPEUGD-UHFFFAOYSA-N -1 3 295.342 3.446 20 0 CGADHM Cc1ccc(NC(=O)c2cccc(C(C)C)n2)c([O-])c1 ZINC000436734050 237172078 /nfs/dbraw/zinc/17/20/78/237172078.db2.gz YZAPHBGNBQMGKQ-UHFFFAOYSA-N -1 3 270.332 3.471 20 0 CGADHM Cc1ncc(/C=C/c2nc(-c3ccc([O-])cc3)no2)s1 ZINC000436888186 237202802 /nfs/dbraw/zinc/20/28/02/237202802.db2.gz MBLXTZPWRKVPQW-VOTSOKGWSA-N -1 3 285.328 3.378 20 0 CGADHM CCOc1ncccc1-c1noc(-c2cc(C)ccc2[O-])n1 ZINC000436918095 237206892 /nfs/dbraw/zinc/20/68/92/237206892.db2.gz GIIBVHKOYUWKHB-UHFFFAOYSA-N -1 3 297.314 3.211 20 0 CGADHM Cc1ccc(F)c(CN(C)C(=O)c2cccc(C)c2[O-])c1 ZINC000437000062 237229418 /nfs/dbraw/zinc/22/94/18/237229418.db2.gz KVHSDPNQEWQEPO-UHFFFAOYSA-N -1 3 287.334 3.420 20 0 CGADHM CC(C)CO[N-]C(=O)Nc1cccc(OC(C)C)c1 ZINC000297364550 200164687 /nfs/dbraw/zinc/16/46/87/200164687.db2.gz SCVBSYUMAJETQN-UHFFFAOYSA-N -1 3 266.341 3.183 20 0 CGADHM CSCCON=C([O-])Nc1cc(C)c(C)cc1Cl ZINC000297433348 200188475 /nfs/dbraw/zinc/18/84/75/200188475.db2.gz OZWQNNFSHWWHGE-UHFFFAOYSA-N -1 3 288.800 3.373 20 0 CGADHM CSCCO[N-]C(=O)Nc1cc(C)c(C)cc1Cl ZINC000297433348 200188476 /nfs/dbraw/zinc/18/84/76/200188476.db2.gz OZWQNNFSHWWHGE-UHFFFAOYSA-N -1 3 288.800 3.373 20 0 CGADHM CC[C@H](C)CON=C([O-])Nc1cc(C2CC2)ccn1 ZINC000297468421 200201437 /nfs/dbraw/zinc/20/14/37/200201437.db2.gz RUVIRRIRLFNYKK-JTQLQIEISA-N -1 3 263.341 3.058 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)Nc1cc(C2CC2)ccn1 ZINC000297468421 200201438 /nfs/dbraw/zinc/20/14/38/200201438.db2.gz RUVIRRIRLFNYKK-JTQLQIEISA-N -1 3 263.341 3.058 20 0 CGADHM CCOc1cc(CN2CCC[C@H]2C)cc(Cl)c1[O-] ZINC000297615669 200242495 /nfs/dbraw/zinc/24/24/95/200242495.db2.gz GXCPQCQZIMZXGS-SNVBAGLBSA-N -1 3 269.772 3.429 20 0 CGADHM Cc1ccc([O-])c(C(=O)N(CC(F)F)CC2CCC2)c1 ZINC000341864423 216130421 /nfs/dbraw/zinc/13/04/21/216130421.db2.gz WTRDKEUQCWJOHI-UHFFFAOYSA-N -1 3 283.318 3.208 20 0 CGADHM CCC[C@@]1(C)CCCN(C(=O)c2ccc(O)cc2[O-])C1 ZINC000179527984 189200094 /nfs/dbraw/zinc/20/00/94/189200094.db2.gz AWUKJWVXSRKWMN-INIZCTEOSA-N -1 3 277.364 3.140 20 0 CGADHM CC[C@@H](NC(=O)c1cccc([O-])c1)c1nc(C)cs1 ZINC000182387941 189322203 /nfs/dbraw/zinc/32/22/03/189322203.db2.gz FSLVCUCTQMOEDC-GFCCVEGCSA-N -1 3 276.361 3.038 20 0 CGADHM C[C@H]([N-]C(=O)C(C)(Cl)Cl)c1ccc(F)c(F)c1 ZINC000182443633 189324059 /nfs/dbraw/zinc/32/40/59/189324059.db2.gz ZXBJUOKGCQXBSZ-LURJTMIESA-N -1 3 282.117 3.336 20 0 CGADHM CCc1cc(=O)[n-]c(CN2CC(C)(C)CC(C)(C)C2)n1 ZINC000342373983 216330459 /nfs/dbraw/zinc/33/04/59/216330459.db2.gz OEKHSGPHGFBLPD-UHFFFAOYSA-N -1 3 277.412 3.003 20 0 CGADHM C[C@@H]1Cc2ccccc2N1C([O-])=NOCCC(F)(F)F ZINC000119737724 370703465 /nfs/dbraw/zinc/70/34/65/370703465.db2.gz SERVUAKCDVLMOS-SECBINFHSA-N -1 3 288.269 3.031 20 0 CGADHM C[C@@H]1Cc2ccccc2N1C(=O)[N-]OCCC(F)(F)F ZINC000119737724 370703468 /nfs/dbraw/zinc/70/34/68/370703468.db2.gz SERVUAKCDVLMOS-SECBINFHSA-N -1 3 288.269 3.031 20 0 CGADHM CCCC[C@@H](C)N(C)C(=O)Cc1ccc([O-])c(F)c1 ZINC000451872813 240374480 /nfs/dbraw/zinc/37/44/80/240374480.db2.gz UIAFYVIBVMVROW-LLVKDONJSA-N -1 3 267.344 3.111 20 0 CGADHM COc1ccc(CN(Cc2nc(C)ccc2[O-])C2CC2)cc1 ZINC000120721888 370794123 /nfs/dbraw/zinc/79/41/23/370794123.db2.gz HZGVYBLKGSUJQZ-UHFFFAOYSA-N -1 3 298.386 3.269 20 0 CGADHM Cc1c(Br)ccc([O-])c1NC(=O)C[C@@H]1C[C@@H]1C ZINC000452747849 240596481 /nfs/dbraw/zinc/59/64/81/240596481.db2.gz JFTMIXJJQLSJAV-CBAPKCEASA-N -1 3 298.180 3.448 20 0 CGADHM COc1cc(C(=O)N[C@@H](C)CCC=C(C)C)ccc1[O-] ZINC000456058689 241353388 /nfs/dbraw/zinc/35/33/88/241353388.db2.gz KBLFGBXELPQZID-LBPRGKRZSA-N -1 3 277.364 3.266 20 0 CGADHM CCC[C@H](NC(=O)c1ccc([O-])c(OC)c1)C(C)(C)C ZINC000456111917 241362381 /nfs/dbraw/zinc/36/23/81/241362381.db2.gz LWFSIMPNVJHHIL-AWEZNQCLSA-N -1 3 279.380 3.345 20 0 CGADHM O=C(NCc1ccc([O-])c(F)c1)C1(C2CCC2)CCC1 ZINC000456000810 241342159 /nfs/dbraw/zinc/34/21/59/241342159.db2.gz ZAACWNAVIINFLJ-UHFFFAOYSA-N -1 3 277.339 3.118 20 0 CGADHM CC(C)[C@@H]1C[C@H]1CNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000456293177 241393287 /nfs/dbraw/zinc/39/32/87/241393287.db2.gz GCECSQUSOJWJIC-KBPBESRZSA-N -1 3 293.382 3.262 20 0 CGADHM O=C(NCc1ccc([O-])c(F)c1)Nc1ccc(F)cc1F ZINC000121446269 370861672 /nfs/dbraw/zinc/86/16/72/370861672.db2.gz YXEXGEXSEGGBPI-UHFFFAOYSA-N -1 3 296.248 3.131 20 0 CGADHM CC[C@@H]1CC[C@H](C)N(C(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000458417810 241899432 /nfs/dbraw/zinc/89/94/32/241899432.db2.gz NQAVJBKMPIVCMP-NWDGAFQWSA-N -1 3 294.370 3.251 20 0 CGADHM CCN(Cc1ccccc1)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459291991 242058727 /nfs/dbraw/zinc/05/87/27/242058727.db2.gz IWHHVIGFLKQYQE-UHFFFAOYSA-N -1 3 283.375 3.082 20 0 CGADHM CCCN(Cc1ccccc1)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459307484 242064676 /nfs/dbraw/zinc/06/46/76/242064676.db2.gz XIWLEQAMKWPPQP-UHFFFAOYSA-N -1 3 297.402 3.472 20 0 CGADHM C[C@H]1c2ccccc2CCN1Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459339519 242080028 /nfs/dbraw/zinc/08/00/28/242080028.db2.gz DLROWHWFKUYLMD-LBPRGKRZSA-N -1 3 295.386 3.179 20 0 CGADHM Cc1cc(C)cc(CN(C)Cc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000459418987 242101518 /nfs/dbraw/zinc/10/15/18/242101518.db2.gz GTNXPOASPOBNNE-UHFFFAOYSA-N -1 3 297.402 3.308 20 0 CGADHM CC[C@H]1CCN1Cc1cccc([O-])c1Br ZINC000459554981 242129288 /nfs/dbraw/zinc/12/92/88/242129288.db2.gz GNWYUMRSJUWQOQ-JTQLQIEISA-N -1 3 270.170 3.139 20 0 CGADHM [O-]c1cccc(CN2CCC[C@H]2CF)c1Br ZINC000459581387 242137979 /nfs/dbraw/zinc/13/79/79/242137979.db2.gz CESXOIGTATYAOQ-JTQLQIEISA-N -1 3 288.160 3.089 20 0 CGADHM O=S(=O)([N-][C@H]1C[C@H]1C1CCCCC1)c1ccccc1F ZINC000462503073 242348827 /nfs/dbraw/zinc/34/88/27/242348827.db2.gz PUJKZRHIPOECAI-JSGCOSHPSA-N -1 3 297.395 3.073 20 0 CGADHM CCc1cccc(S(=O)(=O)[N-]c2c(C)cccc2F)c1 ZINC000461426011 242306193 /nfs/dbraw/zinc/30/61/93/242306193.db2.gz DNUJYLFLRLFBQP-UHFFFAOYSA-N -1 3 293.363 3.497 20 0 CGADHM CCc1[n-][nH]c(=NC(=O)[C@@H](CC)C2CCC(C)CC2)c1C ZINC000461870801 242315388 /nfs/dbraw/zinc/31/53/88/242315388.db2.gz JZFAXAAQVIURMF-UBHUBRDASA-N -1 3 291.439 3.493 20 0 CGADHM C[C@@H]1CC[C@H](CNCc2c(F)ccc([O-])c2F)C1 ZINC000353269811 220001812 /nfs/dbraw/zinc/00/18/12/220001812.db2.gz VRBZIIRGPFCWEK-ZJUUUORDSA-N -1 3 255.308 3.196 20 0 CGADHM O=C([C@H]1CCC[C@H](F)C1)N1CCCc2cccc([O-])c21 ZINC000335223790 296116936 /nfs/dbraw/zinc/11/69/36/296116936.db2.gz QSRKIUSLKIDQRU-STQMWFEESA-N -1 3 277.339 3.200 20 0 CGADHM C[C@@H](C(=O)N=c1cc(-c2ccccc2)[n-][nH]1)c1ccccc1 ZINC000482829524 243244739 /nfs/dbraw/zinc/24/47/39/243244739.db2.gz STMWTKRUDFVLOQ-CYBMUJFWSA-N -1 3 291.354 3.241 20 0 CGADHM CCc1cc(C(=O)N[C@H]2CCc3ccccc3C2)ccc1[O-] ZINC000485577414 243337482 /nfs/dbraw/zinc/33/74/82/243337482.db2.gz BKMVOPHAHVOTBL-KRWDZBQOSA-N -1 3 295.382 3.242 20 0 CGADHM COc1c(C)cc(C=Cc2nc(C)cc(=O)[n-]2)cc1C ZINC000486127376 243353970 /nfs/dbraw/zinc/35/39/70/243353970.db2.gz QSDLTMIEPMTAMB-WAYWQWQTSA-N -1 3 270.332 3.286 20 0 CGADHM Cc1cccc(OCCCC(=O)Nc2ccccc2[O-])c1 ZINC000016483021 368713851 /nfs/dbraw/zinc/71/38/51/368713851.db2.gz FKDBLQNBWOMWLT-UHFFFAOYSA-N -1 3 285.343 3.498 20 0 CGADHM O=C([O-])[C@H](Cc1ccccc1)NCc1ccccc1Cl ZINC000019787842 368766330 /nfs/dbraw/zinc/76/63/30/368766330.db2.gz BJRMTZCCRLKTIO-HNNXBMFYSA-N -1 3 289.762 3.126 20 0 CGADHM Cc1ccc(C(=O)Nc2nc3c(s2)CCCC3)c([O-])c1 ZINC000030674320 368904407 /nfs/dbraw/zinc/90/44/07/368904407.db2.gz UATIDTZKUVGNQE-UHFFFAOYSA-N -1 3 288.372 3.288 20 0 CGADHM O=C(Nc1cccc(-c2cc[nH]n2)c1)c1cccc([O-])c1 ZINC000041017294 369168566 /nfs/dbraw/zinc/16/85/66/369168566.db2.gz CHKUCUSMMRRPRH-UHFFFAOYSA-N -1 3 279.299 3.035 20 0 CGADHM O=C(Nc1ncccc1[O-])[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000044948972 369272108 /nfs/dbraw/zinc/27/21/08/369272108.db2.gz XQXXRVFHJAGAPA-BDAKNGLRSA-N -1 3 288.269 3.094 20 0 CGADHM COc1ccc([O-])c(C(=O)N(CC(C)C)CC(C)C)c1 ZINC000047846452 369329226 /nfs/dbraw/zinc/32/92/26/369329226.db2.gz MJVUSLAZTUSPEA-UHFFFAOYSA-N -1 3 279.380 3.155 20 0 CGADHM C[C@@H](N[C@H](C)c1cc(F)c(Cl)cc1Cl)C(=O)[O-] ZINC000049357509 369398161 /nfs/dbraw/zinc/39/81/61/369398161.db2.gz IUVHLYWITKVTQD-PHDIDXHHSA-N -1 3 280.126 3.256 20 0 CGADHM CC(C)Cc1nc(C(=O)Nc2ccccc2[O-])cs1 ZINC000049486003 369404177 /nfs/dbraw/zinc/40/41/77/369404177.db2.gz ADSGVPIGSROZQY-UHFFFAOYSA-N -1 3 276.361 3.300 20 0 CGADHM Cc1ccsc1CN(C)Cc1ccc(C(=O)[O-])cc1 ZINC000086725105 370021900 /nfs/dbraw/zinc/02/19/00/370021900.db2.gz OCNVEMIHKRHLON-UHFFFAOYSA-N -1 3 275.373 3.387 20 0 CGADHM Cc1nc(C)c([C@@H](C)N(C)Cc2nc(C)ccc2[O-])s1 ZINC000093274922 370114014 /nfs/dbraw/zinc/11/40/14/370114014.db2.gz OPAWBDFMPKEDCP-LLVKDONJSA-N -1 3 291.420 3.362 20 0 CGADHM CC(C)(C)CCCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000103428812 370328264 /nfs/dbraw/zinc/32/82/64/370328264.db2.gz SRJMVRKKVQLYGA-UHFFFAOYSA-N -1 3 287.367 3.022 20 0 CGADHM CC(C)(C)CCCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000103428812 370328265 /nfs/dbraw/zinc/32/82/65/370328265.db2.gz SRJMVRKKVQLYGA-UHFFFAOYSA-N -1 3 287.367 3.022 20 0 CGADHM CC(C)[C@H]1CC[C@H](C(=O)Nc2ncccc2[O-])CC1 ZINC000512681024 245044793 /nfs/dbraw/zinc/04/47/93/245044793.db2.gz SBXRNZCXSHOHCY-HAQNSBGRSA-N -1 3 262.353 3.188 20 0 CGADHM CC(C)C[C@@]1(CO)CCCN1Cc1cccc([O-])c1Cl ZINC000513150321 245065898 /nfs/dbraw/zinc/06/58/98/245065898.db2.gz PKEHMURMAAXXGO-MRXNPFEDSA-N -1 3 297.826 3.419 20 0 CGADHM Cc1ccc(NC(=O)C[C@H]2OCCc3ccccc32)c([O-])c1 ZINC000115707950 370540436 /nfs/dbraw/zinc/54/04/36/370540436.db2.gz VUVDZJJZXXQSHF-QGZVFWFLSA-N -1 3 297.354 3.343 20 0 CGADHM Cc1cc(C(=O)N2CC[C@@H](C3CCCC3)C2)ccc1[O-] ZINC000421947863 371712499 /nfs/dbraw/zinc/71/24/99/371712499.db2.gz KIJNHNPEIBGZLB-OAHLLOKOSA-N -1 3 273.376 3.353 20 0 CGADHM CC[C@@H](c1ccc(F)cc1F)N(C)C[C@H](C)C(=O)[O-] ZINC000422599365 371755454 /nfs/dbraw/zinc/75/54/54/371755454.db2.gz YKABPBIZYSIPTE-ZANVPECISA-N -1 3 271.307 3.068 20 0 CGADHM CCO[C@H](CC)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000153693722 371782104 /nfs/dbraw/zinc/78/21/04/371782104.db2.gz ZLZXYJVIIOYBBN-LLVKDONJSA-N -1 3 291.269 3.165 20 0 CGADHM CC[C@@](C)(NC(=O)c1cc(C)ccc1[O-])c1nccs1 ZINC000153942729 371802607 /nfs/dbraw/zinc/80/26/07/371802607.db2.gz JCKBLZPXVMLKSE-OAHLLOKOSA-N -1 3 290.388 3.212 20 0 CGADHM CC(=O)[C@@H]1C[C@H](C(=O)Nc2ccc(Cl)cc2[O-])C1(C)C ZINC000156887742 371999108 /nfs/dbraw/zinc/99/91/08/371999108.db2.gz JLEAMUOPUUXYFQ-WDEREUQCSA-N -1 3 295.766 3.235 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)Sc2nc3ccccc3[nH]2)n1 ZINC000155859327 371947882 /nfs/dbraw/zinc/94/78/82/371947882.db2.gz UAWFIEINVJVWOV-SECBINFHSA-N -1 3 286.360 3.220 20 0 CGADHM C[C@@H]1CN(Cc2cc([O-])cc(C(F)(F)F)c2)CCCO1 ZINC000290536701 372012774 /nfs/dbraw/zinc/01/27/74/372012774.db2.gz VTWDCZNYQWVEIJ-SNVBAGLBSA-N -1 3 289.297 3.022 20 0 CGADHM Cc1ccc2c(c1)nc(C[N-]c1nc(C(C)C)no1)n2C ZINC000291010943 372094078 /nfs/dbraw/zinc/09/40/78/372094078.db2.gz WGAXEGCKBGSHOY-UHFFFAOYSA-N -1 3 285.351 3.000 20 0 CGADHM CC[C@H](C)CON=C([O-])Nc1cc(F)c(F)cc1F ZINC000293065568 372291324 /nfs/dbraw/zinc/29/13/24/372291324.db2.gz ZGSMORBVLQQPQT-ZETCQYMHSA-N -1 3 276.258 3.203 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)Nc1cc(F)c(F)cc1F ZINC000293065568 372291328 /nfs/dbraw/zinc/29/13/28/372291328.db2.gz ZGSMORBVLQQPQT-ZETCQYMHSA-N -1 3 276.258 3.203 20 0 CGADHM CC(F)(F)C(=O)[N-][C@H](c1ccc(F)cc1)C1CCC1 ZINC000292961420 372261716 /nfs/dbraw/zinc/26/17/16/372261716.db2.gz BJOLQINZPXHBRN-LBPRGKRZSA-N -1 3 271.282 3.438 20 0 CGADHM CC(C)C[C@@H](NCc1cc(Cl)ccc1F)C(=O)[O-] ZINC000160799988 372277147 /nfs/dbraw/zinc/27/71/47/372277147.db2.gz ZCZPADREGVGCHV-GFCCVEGCSA-N -1 3 273.735 3.068 20 0 CGADHM CN(Cc1cccs1)C(=O)/C(C#N)=C/c1ccc([O-])cc1 ZINC000041699268 541871770 /nfs/dbraw/zinc/87/17/70/541871770.db2.gz PGRVRDYDRHPXCL-UKTHLTGXSA-N -1 3 298.367 3.019 20 0 CGADHM Cc1ccc([O-])c(CNc2ccc([C@@H]3CCOC3)cc2)n1 ZINC000293207904 372326930 /nfs/dbraw/zinc/32/69/30/372326930.db2.gz YDHSRNZAQLHUFL-CQSZACIVSA-N -1 3 284.359 3.212 20 0 CGADHM CCc1cc(=O)[n-]c(CN2CCC[C@H]2CC(C)(C)C)n1 ZINC000344345503 217160601 /nfs/dbraw/zinc/16/06/01/217160601.db2.gz HCZIFKMKNWGMJN-ZDUSSCGKSA-N -1 3 277.412 3.145 20 0 CGADHM [O-]c1cccc(CNCC2CCSCC2)c1Cl ZINC000293552719 372410190 /nfs/dbraw/zinc/41/01/90/372410190.db2.gz LIQCSSWRIISWLO-UHFFFAOYSA-N -1 3 271.813 3.278 20 0 CGADHM Cc1nc(C(=O)N2CC[C@@H](C)c3cccc([O-])c32)c(C)o1 ZINC000293646162 372434401 /nfs/dbraw/zinc/43/44/01/372434401.db2.gz ZFSAAWOZYRLAQM-SECBINFHSA-N -1 3 286.331 3.151 20 0 CGADHM O=C([N-]OCC1CC1)[C@H]1C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000293752120 372469970 /nfs/dbraw/zinc/46/99/70/372469970.db2.gz KMPPBSCWJJNJHF-STQMWFEESA-N -1 3 299.292 3.267 20 0 CGADHM O=C([O-])[C@@H](NCc1ccc(F)c(Cl)c1)c1ccccc1 ZINC000163798433 372493200 /nfs/dbraw/zinc/49/32/00/372493200.db2.gz LRIRFNLBGATLRX-AWEZNQCLSA-N -1 3 293.725 3.395 20 0 CGADHM C[C@@H]1CCCCN1CCNCc1cccc([O-])c1Cl ZINC000293952487 372534218 /nfs/dbraw/zinc/53/42/18/372534218.db2.gz BVUQPZUZQNGGRU-GFCCVEGCSA-N -1 3 282.815 3.010 20 0 CGADHM Cc1ccc(NC(=O)CCCc2ccc([O-])c(F)c2)nc1 ZINC000344462648 217198280 /nfs/dbraw/zinc/19/82/80/217198280.db2.gz MOXOGWMYCQPTNT-UHFFFAOYSA-N -1 3 288.322 3.196 20 0 CGADHM COc1ccc(CCNCc2c(F)ccc([O-])c2F)cc1 ZINC000294200417 372611140 /nfs/dbraw/zinc/61/11/40/372611140.db2.gz KTWYYODUJBAGBW-UHFFFAOYSA-N -1 3 293.313 3.011 20 0 CGADHM C[C@H](C(=O)N=c1cc(-c2ccccc2)[n-][nH]1)C(C)(C)C ZINC000435674262 372793622 /nfs/dbraw/zinc/79/36/22/372793622.db2.gz GBPIYOCWPDTFMN-LLVKDONJSA-N -1 3 271.364 3.119 20 0 CGADHM CCC1(CO)CCN(Cc2cccc([O-])c2Cl)CC1 ZINC000295484259 372800262 /nfs/dbraw/zinc/80/02/62/372800262.db2.gz XGVOEXCQONSEQI-UHFFFAOYSA-N -1 3 283.799 3.030 20 0 CGADHM CC(C)O[N-]C(=O)[C@@H](C)CSc1ccc(F)cc1 ZINC000295498244 372803227 /nfs/dbraw/zinc/80/32/27/372803227.db2.gz GGYHDKJMXMLFAQ-JTQLQIEISA-N -1 3 271.357 3.010 20 0 CGADHM Cc1cc(C[N-]c2nc(-c3cccc(Cl)c3)no2)on1 ZINC000171831068 372836520 /nfs/dbraw/zinc/83/65/20/372836520.db2.gz CPKIKKAWGVRDBH-UHFFFAOYSA-N -1 3 290.710 3.299 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)[C@H](O)C2CCCCC2)c1[O-] ZINC000438164791 372901606 /nfs/dbraw/zinc/90/16/06/372901606.db2.gz BKMPZIXWMIUEGR-CQSZACIVSA-N -1 3 297.782 3.234 20 0 CGADHM Cc1ccc([O-])c(CN(C)c2cccc(C)c2C)n1 ZINC000438271176 372918453 /nfs/dbraw/zinc/91/84/53/372918453.db2.gz BXBLLQQRZZNDEM-UHFFFAOYSA-N -1 3 256.349 3.349 20 0 CGADHM C[C@@H](C(=O)Nc1cccc(Cl)c1[O-])N1[C@H](C)CC[C@@H]1C ZINC000172355364 372948395 /nfs/dbraw/zinc/94/83/95/372948395.db2.gz KAQHRTPFQXHMBX-AXFHLTTASA-N -1 3 296.798 3.245 20 0 CGADHM COc1ccc([O-])c(C(=O)N2CCCCC(C)(C)C2)c1 ZINC000438491402 372964556 /nfs/dbraw/zinc/96/45/56/372964556.db2.gz ROJVJLBGZODOEU-UHFFFAOYSA-N -1 3 277.364 3.053 20 0 CGADHM CC(C)N(C)c1ccccc1CNC(=O)c1cccc([O-])c1 ZINC000438470221 372958494 /nfs/dbraw/zinc/95/84/94/372958494.db2.gz OSRQSJYEJHFMQP-UHFFFAOYSA-N -1 3 298.386 3.167 20 0 CGADHM CCCc1ncc(C(=O)[N-]c2nnc(C(C)C)s2)s1 ZINC000172705086 373019907 /nfs/dbraw/zinc/01/99/07/373019907.db2.gz JPPOTZKNFHPLJJ-UHFFFAOYSA-N -1 3 296.421 3.323 20 0 CGADHM CC(C)CC1(C(=O)Nc2cc(F)ccc2[O-])CC1 ZINC000442564580 373059697 /nfs/dbraw/zinc/05/96/97/373059697.db2.gz FJFGNBXQBLSYFL-UHFFFAOYSA-N -1 3 251.301 3.296 20 0 CGADHM CCCC(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000442926765 373127935 /nfs/dbraw/zinc/12/79/35/373127935.db2.gz XBAHLNNAPQKSEN-UHFFFAOYSA-N -1 3 263.215 3.029 20 0 CGADHM COc1cc(C(=O)N[C@@H](C)CCC(C)(C)C)ccc1[O-] ZINC000442982885 373138076 /nfs/dbraw/zinc/13/80/76/373138076.db2.gz YWTUQBAEPUTKRO-NSHDSACASA-N -1 3 279.380 3.345 20 0 CGADHM CC(C)ON=C([O-])Nc1nc2c(s1)CCCCCC2 ZINC000296687280 373220616 /nfs/dbraw/zinc/22/06/16/373220616.db2.gz JDKOWFHYIYUQJJ-UHFFFAOYSA-N -1 3 283.397 3.264 20 0 CGADHM CC(C)O[N-]C(=O)Nc1nc2c(s1)CCCCCC2 ZINC000296687280 373220621 /nfs/dbraw/zinc/22/06/21/373220621.db2.gz JDKOWFHYIYUQJJ-UHFFFAOYSA-N -1 3 283.397 3.264 20 0 CGADHM CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1cc(OC)ccc1[O-] ZINC000175290681 373446130 /nfs/dbraw/zinc/44/61/30/373446130.db2.gz UIGDBBBTUDUARQ-SWLSCSKDSA-N -1 3 291.391 3.442 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N(C)Cc2ccc(F)cc2C)n1 ZINC000447884099 373514936 /nfs/dbraw/zinc/51/49/36/373514936.db2.gz WFQVGPAILUZGEU-LBPRGKRZSA-N -1 3 289.354 3.131 20 0 CGADHM Cc1ccc(C[C@@H](C)[N-]C(=O)C(F)(F)C(F)F)s1 ZINC000176812125 373631013 /nfs/dbraw/zinc/63/10/13/373631013.db2.gz ZEEQKAWJZDXARQ-ZCFIWIBFSA-N -1 3 283.290 3.004 20 0 CGADHM Cc1ccsc1CN(C)C(=O)Cc1ccc([O-])c(F)c1 ZINC000448589443 373616336 /nfs/dbraw/zinc/61/63/36/373616336.db2.gz IXCUNOMUNQGHKP-UHFFFAOYSA-N -1 3 293.363 3.102 20 0 CGADHM [O-]c1cccc(CNC[C@@H]2CCOC3(CCC3)C2)c1Cl ZINC000449482543 373772078 /nfs/dbraw/zinc/77/20/78/373772078.db2.gz YTKWATCSWMKIGM-GFCCVEGCSA-N -1 3 295.810 3.485 20 0 CGADHM CC(C)OC(C)(C)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000449817471 373934402 /nfs/dbraw/zinc/93/44/02/373934402.db2.gz AITBDQSBGMORMN-UHFFFAOYSA-N -1 3 271.744 3.188 20 0 CGADHM COc1cccc(C(=O)NC2(c3ccccc3)CCC2)c1[O-] ZINC000302933691 374008000 /nfs/dbraw/zinc/00/80/00/374008000.db2.gz GUIRVFSUMNBCLJ-UHFFFAOYSA-N -1 3 297.354 3.210 20 0 CGADHM CSc1cc(C)ccc1CNC(=O)c1cccc([O-])c1 ZINC000182593340 374296063 /nfs/dbraw/zinc/29/60/63/374296063.db2.gz BAYHUGJZPHUCHB-UHFFFAOYSA-N -1 3 287.384 3.353 20 0 CGADHM Cc1nnc(-c2cccc(NC(=O)c3cccc([O-])c3)c2)o1 ZINC000182512316 374283549 /nfs/dbraw/zinc/28/35/49/374283549.db2.gz TVDVALCVZMNTOT-UHFFFAOYSA-N -1 3 295.298 3.003 20 0 CGADHM Cc1cc(C(=O)N[C@@H](C)c2nc3ccccc3[nH]2)ccc1[O-] ZINC000318265990 374341743 /nfs/dbraw/zinc/34/17/43/374341743.db2.gz CXURLRNVPRJWAX-NSHDSACASA-N -1 3 295.342 3.068 20 0 CGADHM O=C(CCOCc1ccccc1)Nc1ccc([O-])cc1F ZINC000183283143 374395601 /nfs/dbraw/zinc/39/56/01/374395601.db2.gz RRNXILGHESVMIB-UHFFFAOYSA-N -1 3 289.306 3.077 20 0 CGADHM CC(C)[C@@H](CNc1ccnc2ccccc21)C(=O)[O-] ZINC000087505551 541943606 /nfs/dbraw/zinc/94/36/06/541943606.db2.gz SFRXHUBQVYROAC-GFCCVEGCSA-N -1 3 258.321 3.004 20 0 CGADHM O=C([O-])[C@H]1CN(CC2CCCCC2)Cc2ccccc21 ZINC000087612543 541944190 /nfs/dbraw/zinc/94/41/90/541944190.db2.gz ZPAHVHIUOMHPET-INIZCTEOSA-N -1 3 273.376 3.251 20 0 CGADHM O=[S@](Cc1cccc(OC(F)F)c1)c1cccc([O-])c1 ZINC000184050822 374486044 /nfs/dbraw/zinc/48/60/44/374486044.db2.gz AZHZBMQXVYJRMA-HXUWFJFHSA-N -1 3 298.310 3.301 20 0 CGADHM Cc1cc(C)cc(C[S@](=O)c2cccc([O-])c2)c1 ZINC000184041519 374486338 /nfs/dbraw/zinc/48/63/38/374486338.db2.gz CSOQGQAXKXVMLJ-SFHVURJKSA-N -1 3 260.358 3.317 20 0 CGADHM CC(=O)Nc1ccc(NCc2cc([O-])cc(F)c2)cc1 ZINC000184130865 374495106 /nfs/dbraw/zinc/49/51/06/374495106.db2.gz QRWGSPNUBYZJPO-UHFFFAOYSA-N -1 3 274.295 3.102 20 0 CGADHM [O-]c1cc(F)cc(CNc2ccccc2-n2cccn2)c1 ZINC000184137546 374496750 /nfs/dbraw/zinc/49/67/50/374496750.db2.gz WXYIVFVVBYAJQB-UHFFFAOYSA-N -1 3 283.306 3.329 20 0 CGADHM CC1(C)CCC[C@@H](CC(=O)NCc2ncccc2[O-])C1 ZINC000331019515 374497372 /nfs/dbraw/zinc/49/73/72/374497372.db2.gz NONFRKMIXZCXGO-LBPRGKRZSA-N -1 3 276.380 3.010 20 0 CGADHM [O-]c1ccccc1-c1nc(C2CCOCC2)cs1 ZINC000334350197 374676987 /nfs/dbraw/zinc/67/69/87/374676987.db2.gz VKRCCAQCOUYQKT-UHFFFAOYSA-N -1 3 261.346 3.410 20 0 CGADHM CCc1nc([C@@H](C)NCc2cc([O-])cc(F)c2)cs1 ZINC000185530973 374681772 /nfs/dbraw/zinc/68/17/72/374681772.db2.gz QMRGSQRGDSXYPH-SECBINFHSA-N -1 3 280.368 3.401 20 0 CGADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@H]1CCC[C@@H]2C[C@@H]21 ZINC000458300361 374753592 /nfs/dbraw/zinc/75/35/92/374753592.db2.gz OPDPORJNYOHYCV-IPYPFGDCSA-N -1 3 291.366 3.159 20 0 CGADHM CCc1nc(C(=O)[N-]c2cc(F)c(F)cc2F)c(C)o1 ZINC000334445714 374759198 /nfs/dbraw/zinc/75/91/98/374759198.db2.gz OTCXNKFPNFAXHL-UHFFFAOYSA-N -1 3 284.237 3.215 20 0 CGADHM O=C(Nc1cccc([O-])c1F)c1ccoc1C1CC1 ZINC000334514701 374811222 /nfs/dbraw/zinc/81/12/22/374811222.db2.gz BLFKKZPDRQXUTO-UHFFFAOYSA-N -1 3 261.252 3.254 20 0 CGADHM CC1(F)CC(NCc2cccc([O-])c2Br)C1 ZINC000334520574 374816127 /nfs/dbraw/zinc/81/61/27/374816127.db2.gz ZCKKFTGMRVXADJ-UHFFFAOYSA-N -1 3 288.160 3.135 20 0 CGADHM O=C(N[C@H]1CCC[C@H]1F)c1cc([O-])ccc1C(F)(F)F ZINC000334476037 374782091 /nfs/dbraw/zinc/78/20/91/374782091.db2.gz MXUBVDYQXPVOQN-MNOVXSKESA-N -1 3 291.244 3.031 20 0 CGADHM CCC1(NC(=O)NCc2ccc([O-])c(F)c2)CCCCC1 ZINC000458411826 374785765 /nfs/dbraw/zinc/78/57/65/374785765.db2.gz JMBSSZDMULISEL-UHFFFAOYSA-N -1 3 294.370 3.443 20 0 CGADHM O=S(=O)([N-]CCC1=CCCCCC1)c1cccs1 ZINC000464211993 374865629 /nfs/dbraw/zinc/86/56/29/374865629.db2.gz UZVYSFPRKZEXNS-UHFFFAOYSA-N -1 3 285.434 3.307 20 0 CGADHM C[C@@H](c1c(F)cccc1F)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000263328176 296223988 /nfs/dbraw/zinc/22/39/88/296223988.db2.gz KYDGSRGVLOKNHS-VWYCJHECSA-N -1 3 283.318 3.068 20 0 CGADHM C[C@@H](c1ccc(F)cc1)[S@](=O)c1ccc([O-])cc1 ZINC000334255068 206264757 /nfs/dbraw/zinc/26/47/57/206264757.db2.gz LDZMEBFQVIHAKC-YPMLDQLKSA-N -1 3 264.321 3.400 20 0 CGADHM CN(CC1(c2ccccc2)CC1)C(=O)c1ccccc1[O-] ZINC000186772321 374914099 /nfs/dbraw/zinc/91/40/99/374914099.db2.gz RQCPXDFMLRXSEK-UHFFFAOYSA-N -1 3 281.355 3.196 20 0 CGADHM CCCCN(CCCC)C(=O)c1cccc2[n-]nnc21 ZINC000187129592 374977507 /nfs/dbraw/zinc/97/75/07/374977507.db2.gz YYMWLJWWIFOEPG-UHFFFAOYSA-N -1 3 274.368 3.000 20 0 CGADHM CCCCN(CCCC)C(=O)c1cccc2nn[n-]c21 ZINC000187129592 374977509 /nfs/dbraw/zinc/97/75/09/374977509.db2.gz YYMWLJWWIFOEPG-UHFFFAOYSA-N -1 3 274.368 3.000 20 0 CGADHM CCCCN(CCCC)C(=O)c1cccc2n[n-]nc21 ZINC000187129592 374977513 /nfs/dbraw/zinc/97/75/13/374977513.db2.gz YYMWLJWWIFOEPG-UHFFFAOYSA-N -1 3 274.368 3.000 20 0 CGADHM Cc1cccc(C(=O)N=c2cc(-c3ccccc3)[n-][nH]2)c1F ZINC000473253997 375047799 /nfs/dbraw/zinc/04/77/99/375047799.db2.gz CPICPNMHERSOQP-UHFFFAOYSA-N -1 3 295.317 3.198 20 0 CGADHM COC(=O)c1cnc(SC[C@@H](C)c2ccccc2)[n-]1 ZINC000187594164 375052198 /nfs/dbraw/zinc/05/21/98/375052198.db2.gz GPLQJYIVCIYLAA-SNVBAGLBSA-N -1 3 276.361 3.092 20 0 CGADHM C[C@H]1CCCC[C@@H]1C(=O)Nc1ccc([O-])cc1F ZINC000335106687 375136669 /nfs/dbraw/zinc/13/66/69/375136669.db2.gz GNZXWFQKCHGFHI-ONGXEEELSA-N -1 3 251.301 3.296 20 0 CGADHM CN(Cc1ccco1)C(=O)c1cc([O-])ccc1C(F)(F)F ZINC000188821225 375275077 /nfs/dbraw/zinc/27/50/77/375275077.db2.gz FMUGHHXORXXWME-UHFFFAOYSA-N -1 3 299.248 3.276 20 0 CGADHM CCc1ccc(C(=O)N2CCCc3cccc(O)c32)c([O-])c1 ZINC000188907100 375289811 /nfs/dbraw/zinc/28/98/11/375289811.db2.gz KFHWCONRSHGSNN-UHFFFAOYSA-N -1 3 297.354 3.253 20 0 CGADHM CCc1noc(C)c1[N-]C(=O)c1oc(CC(C)C)nc1C ZINC000189083852 375321625 /nfs/dbraw/zinc/32/16/25/375321625.db2.gz NNGYZDYNPCDJQM-UHFFFAOYSA-N -1 3 291.351 3.293 20 0 CGADHM CCc1ccc(C(=O)Nc2cccc(O)c2F)c([O-])c1 ZINC000188757934 375266064 /nfs/dbraw/zinc/26/60/64/375266064.db2.gz JAOYICQVFLLBJS-UHFFFAOYSA-N -1 3 275.279 3.052 20 0 CGADHM FC(F)c1nnc([N-]Cc2ccc(Cl)s2)o1 ZINC000189291283 375357547 /nfs/dbraw/zinc/35/75/47/375357547.db2.gz WUSVMOUHZKTVSX-UHFFFAOYSA-N -1 3 265.672 3.334 20 0 CGADHM [O-]c1ccc(F)c(CN[C@@H]2CCCC(F)(F)C2)c1F ZINC000335817688 375456064 /nfs/dbraw/zinc/45/60/64/375456064.db2.gz PPVMFWAQYAOUCA-MRVPVSSYSA-N -1 3 277.261 3.338 20 0 CGADHM CCCNc1ccccc1NC(=O)c1ccc2n[n-]nc2c1 ZINC000190139353 375481765 /nfs/dbraw/zinc/48/17/65/375481765.db2.gz ZKNNQFSZHQPUIL-UHFFFAOYSA-N -1 3 295.346 3.032 20 0 CGADHM O=C(N[C@@H]1CCCc2occc21)c1cc([O-])ccc1Cl ZINC000335866072 375495691 /nfs/dbraw/zinc/49/56/91/375495691.db2.gz UWERQUIFFQBXRA-CYBMUJFWSA-N -1 3 291.734 3.446 20 0 CGADHM Cc1ccc(C[S@@](=O)c2cccc([O-])c2)cc1C ZINC000190550004 375520729 /nfs/dbraw/zinc/52/07/29/375520729.db2.gz QQFYNMPVRUWAHE-GOSISDBHSA-N -1 3 260.358 3.317 20 0 CGADHM C[C@H]1CN(Cc2cc([O-])cc(F)c2)CCC1(F)F ZINC000336012169 375616999 /nfs/dbraw/zinc/61/69/99/375616999.db2.gz WKHYZQMTRTVASL-VIFPVBQESA-N -1 3 259.271 3.008 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])[C@@H]1CCC(F)(F)C1 ZINC000336079618 375669270 /nfs/dbraw/zinc/66/92/70/375669270.db2.gz VVHQOGPASQZALD-SSDOTTSWSA-N -1 3 275.682 3.420 20 0 CGADHM Cc1cccc([O-])c1NC(=O)c1cccc2c1CC(=O)CC2 ZINC000336099736 375685276 /nfs/dbraw/zinc/68/52/76/375685276.db2.gz YFFLMNZIFGZFPD-UHFFFAOYSA-N -1 3 295.338 3.011 20 0 CGADHM Cc1ccc(C(=O)N2CC[C@@H]3CCC[C@@H]32)c([O-])c1C ZINC000336157035 375734334 /nfs/dbraw/zinc/73/43/34/375734334.db2.gz WTDDQKYWPXXOBY-JSGCOSHPSA-N -1 3 259.349 3.024 20 0 CGADHM CCCCCSc1nc(=O)cc([O-])n1C1CCCC1 ZINC000192451323 375750601 /nfs/dbraw/zinc/75/06/01/375750601.db2.gz LMTGGPLAZCNIBL-UHFFFAOYSA-N -1 3 282.409 3.346 20 0 CGADHM CC[C@H]1CCCN([C@@H](C)c2nc(C)cc(=O)[n-]2)CC1 ZINC000192594740 375767325 /nfs/dbraw/zinc/76/73/25/375767325.db2.gz NWBVPXLZYCJKDF-STQMWFEESA-N -1 3 263.385 3.064 20 0 CGADHM CC[C@H]1C[C@H](C)CN1C(=O)Cc1ccc([O-])cc1Cl ZINC000509127424 375772770 /nfs/dbraw/zinc/77/27/70/375772770.db2.gz WGNNALPCNQMWAH-JQWIXIFHSA-N -1 3 281.783 3.235 20 0 CGADHM Cc1cccc(C(=O)N2CC[C@@H](C(F)(F)F)[C@H]2C)c1[O-] ZINC000336506989 375800697 /nfs/dbraw/zinc/80/06/97/375800697.db2.gz YLHLGTSYXNXVPH-MWLCHTKSSA-N -1 3 287.281 3.114 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)C2=CCCCC2)c1-c1ccccc1 ZINC000336395574 375787333 /nfs/dbraw/zinc/78/73/33/375787333.db2.gz KAPCYCUTBLVHGO-UHFFFAOYSA-N -1 3 281.359 3.246 20 0 CGADHM COc1cc(C)c(NC(=O)c2ccc([O-])c(C)c2)cc1F ZINC000336617382 375879625 /nfs/dbraw/zinc/87/96/25/375879625.db2.gz IDJCUPWVVCOTBR-UHFFFAOYSA-N -1 3 289.306 3.409 20 0 CGADHM COc1ccc(F)cc1[C@@H](C)NC(=O)c1ccccc1[O-] ZINC000193508274 375888850 /nfs/dbraw/zinc/88/88/50/375888850.db2.gz RLAZDDWHDSUOCJ-SNVBAGLBSA-N -1 3 289.306 3.031 20 0 CGADHM COC(=O)c1cnc(SCc2ccc(C(F)F)cc2)[n-]1 ZINC000193539690 375892761 /nfs/dbraw/zinc/89/27/61/375892761.db2.gz QZZUUFRWTWRVQW-UHFFFAOYSA-N -1 3 298.314 3.426 20 0 CGADHM CCC[C@]1(COC)CCCN1C(=O)c1cccc(C)c1[O-] ZINC000193742372 375917072 /nfs/dbraw/zinc/91/70/72/375917072.db2.gz ISWXRDVRMOBGNL-QGZVFWFLSA-N -1 3 291.391 3.122 20 0 CGADHM C[C@H](NCc1cc([O-])ccc1Br)C(F)(F)F ZINC000336782740 375934304 /nfs/dbraw/zinc/93/43/04/375934304.db2.gz YQZCIYJSRIBJDP-LURJTMIESA-N -1 3 298.102 3.195 20 0 CGADHM C[C@H](CC(F)(F)F)NCc1cccc([O-])c1Cl ZINC000336897410 376024374 /nfs/dbraw/zinc/02/43/74/376024374.db2.gz PAFPQQZTIPUDCJ-SSDOTTSWSA-N -1 3 267.678 3.476 20 0 CGADHM CCc1cccc(C(=O)N[C@H](C)c2ccncc2CC)c1[O-] ZINC000536885993 376141087 /nfs/dbraw/zinc/14/10/87/376141087.db2.gz NJGDWXLMDLUXGC-GFCCVEGCSA-N -1 3 298.386 3.403 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2C(C)C)o1 ZINC000536894510 376141823 /nfs/dbraw/zinc/14/18/23/376141823.db2.gz SJHAOFTWFSFZIJ-CHWSQXEVSA-N -1 3 285.409 3.081 20 0 CGADHM CC[C@]1(C)C[C@H]1C(=O)N=c1cc(-c2ccccc2C)[n-][nH]1 ZINC000537118995 376148697 /nfs/dbraw/zinc/14/86/97/376148697.db2.gz OTKFHYPXIVZAJM-SUMWQHHRSA-N -1 3 283.375 3.182 20 0 CGADHM CCc1cc(=O)[n-]c(CN[C@@H](c2cccs2)C2CC2)n1 ZINC000537165868 376150738 /nfs/dbraw/zinc/15/07/38/376150738.db2.gz BQAHMGKBDYNFJH-OAHLLOKOSA-N -1 3 289.404 3.047 20 0 CGADHM COc1ccc([C@@H](C)NCc2cc([O-])cc(F)c2)cc1 ZINC000223138613 376245885 /nfs/dbraw/zinc/24/58/85/376245885.db2.gz BXPQDRCGSKPVST-LLVKDONJSA-N -1 3 275.323 3.391 20 0 CGADHM CCc1cccc(C(=O)N2CCC[C@H]2c2ccccn2)c1[O-] ZINC000538745137 376268085 /nfs/dbraw/zinc/26/80/85/376268085.db2.gz UOBGTSOAANCYOG-INIZCTEOSA-N -1 3 296.370 3.327 20 0 CGADHM Cc1ccc([O-])c(CN2CCc3cccc(F)c3[C@@H]2C)n1 ZINC000539826133 376335096 /nfs/dbraw/zinc/33/50/96/376335096.db2.gz MESNKPULYGQBLJ-LBPRGKRZSA-N -1 3 286.350 3.354 20 0 CGADHM CC(C)(C)[C@H](NC(=O)c1ccccc1[O-])C(F)(F)F ZINC000539873534 376343519 /nfs/dbraw/zinc/34/35/19/376343519.db2.gz LOHVDWLZIOAATP-NSHDSACASA-N -1 3 275.270 3.099 20 0 CGADHM CCc1cc(=O)[n-]c(CN2CCC(C)=C(c3ccco3)C2)n1 ZINC000338354486 376346687 /nfs/dbraw/zinc/34/66/87/376346687.db2.gz GFENWWACYLZYQI-UHFFFAOYSA-N -1 3 299.374 3.017 20 0 CGADHM C[C@@H](c1ccc(Cl)cc1)N1CCC[C@@H](C(=O)[O-])C1 ZINC000226398001 376358291 /nfs/dbraw/zinc/35/82/91/376358291.db2.gz FMJMEJQBWFHWIN-CMPLNLGQSA-N -1 3 267.756 3.198 20 0 CGADHM CCc1noc(C)c1[N-]C(=O)c1coc(Br)c1 ZINC000133167351 542078674 /nfs/dbraw/zinc/07/86/74/542078674.db2.gz AHITUWAAJJIZLW-UHFFFAOYSA-N -1 3 299.124 3.153 20 0 CGADHM Cc1cc(C(=O)N(C)Cc2ccc(F)cc2)ccc1[O-] ZINC000226714039 376369107 /nfs/dbraw/zinc/36/91/07/376369107.db2.gz FYDZGAWHKKQAHJ-UHFFFAOYSA-N -1 3 273.307 3.112 20 0 CGADHM CCS[C@@H]1CCC[C@@H]1NC(=O)c1ccc([O-])c(C)c1 ZINC000226718420 376370019 /nfs/dbraw/zinc/37/00/19/376370019.db2.gz NOQKONNRBWDQPS-GXTWGEPZSA-N -1 3 279.405 3.105 20 0 CGADHM Cc1cc(C(=O)N2CC[C@@H](c3ccccc3)C2)ccc1[O-] ZINC000226984747 376377635 /nfs/dbraw/zinc/37/76/35/376377635.db2.gz YDZJQSQBQNFOSV-MRXNPFEDSA-N -1 3 281.355 3.330 20 0 CGADHM CCCn1c(SC[C@@H](C)CC(C)C)n[n-]c1=O ZINC000540768882 376395693 /nfs/dbraw/zinc/39/56/93/376395693.db2.gz XCMMFIVNKHYWHG-JTQLQIEISA-N -1 3 257.403 3.168 20 0 CGADHM C[C@@H]([N-]c1nc2ccccc2o1)C(=O)N1CCCC[C@@H]1C ZINC000263747312 190076792 /nfs/dbraw/zinc/07/67/92/190076792.db2.gz DYXJHRSMTYGRSS-NWDGAFQWSA-N -1 3 287.363 3.029 20 0 CGADHM CCC[C@@H](NCc1ccc(Oc2ccccc2)o1)C(=O)[O-] ZINC000262722049 190061540 /nfs/dbraw/zinc/06/15/40/190061540.db2.gz WGUBISFJIMXLFV-CQSZACIVSA-N -1 3 289.331 3.415 20 0 CGADHM CC(C)CN(C(=O)c1cc([O-])ccc1Cl)C1CC1 ZINC000232575209 376582537 /nfs/dbraw/zinc/58/25/37/376582537.db2.gz UEMRGSVOAAEGQY-UHFFFAOYSA-N -1 3 267.756 3.306 20 0 CGADHM CC(C)[C@@]1(C(=O)[O-])CCN(Cc2cc(Cl)ccc2F)C1 ZINC000232780754 376590482 /nfs/dbraw/zinc/59/04/82/376590482.db2.gz CMPDVANWSRMXHF-OAHLLOKOSA-N -1 3 299.773 3.412 20 0 CGADHM CC[C@@H]1C[C@H](C(=O)Nc2ccc(Cl)cc2[O-])CCO1 ZINC000334338230 206392092 /nfs/dbraw/zinc/39/20/92/206392092.db2.gz XUVUQBVKUZMLIA-MWLCHTKSSA-N -1 3 283.755 3.189 20 0 CGADHM O=C(COc1ccccc1F)Nc1ccc(Cl)cc1[O-] ZINC000339007767 376626361 /nfs/dbraw/zinc/62/63/61/376626361.db2.gz WGRBHALFYBSBQS-UHFFFAOYSA-N -1 3 295.697 3.202 20 0 CGADHM O=C(CCc1ccncc1)Nc1ccc(Cl)cc1[O-] ZINC000339007019 376627503 /nfs/dbraw/zinc/62/75/03/376627503.db2.gz HNEQTIAXEVAEQH-UHFFFAOYSA-N -1 3 276.723 3.012 20 0 CGADHM C[C@H](NCCC(=O)[O-])c1cccc(Cl)c1Cl ZINC000235523675 376643959 /nfs/dbraw/zinc/64/39/59/376643959.db2.gz QGHKKNJVXSXJIV-ZETCQYMHSA-N -1 3 262.136 3.119 20 0 CGADHM CCCC[C@H](CCC)[N-]S(=O)(=O)c1cnc(C)s1 ZINC000339047549 376645119 /nfs/dbraw/zinc/64/51/19/376645119.db2.gz FYKIGMIJXXBGOA-NSHDSACASA-N -1 3 290.454 3.089 20 0 CGADHM O=C(Nc1ccccc1[O-])c1cscc1Br ZINC000334351954 206411513 /nfs/dbraw/zinc/41/15/13/206411513.db2.gz HDCVCPIKTVHJRD-UHFFFAOYSA-N -1 3 298.161 3.469 20 0 CGADHM O=C(NCCc1cccc(F)c1)c1cc([O-])ccc1Cl ZINC000236613307 376672217 /nfs/dbraw/zinc/67/22/17/376672217.db2.gz GGRGYFAGAAIUQD-UHFFFAOYSA-N -1 3 293.725 3.157 20 0 CGADHM O=C(NC[C@@H]1CCCCS1)c1cc([O-])ccc1Cl ZINC000236614395 376672942 /nfs/dbraw/zinc/67/29/42/376672942.db2.gz XIJFKCVFRUGYCM-JTQLQIEISA-N -1 3 285.796 3.061 20 0 CGADHM COc1ccc(NC(=O)[C@H](C)c2cccc(F)c2)c([O-])c1 ZINC000135432159 542088336 /nfs/dbraw/zinc/08/83/36/542088336.db2.gz HZVCBFVKYRPQSG-SNVBAGLBSA-N -1 3 289.306 3.282 20 0 CGADHM COc1ccc(NC(=O)c2cncc3ccccc32)c([O-])c1 ZINC000135420712 542088224 /nfs/dbraw/zinc/08/82/24/542088224.db2.gz JKWPXBUPLHSVSV-UHFFFAOYSA-N -1 3 294.310 3.201 20 0 CGADHM O=C(CCCc1ccccn1)N1CCCc2cccc([O-])c21 ZINC000155583314 542124499 /nfs/dbraw/zinc/12/44/99/542124499.db2.gz UIKXACZBXBKZIP-UHFFFAOYSA-N -1 3 296.370 3.089 20 0 CGADHM Cc1ccsc1CCCC(=O)N=c1cc2ccccn2[n-]1 ZINC000557537287 376942456 /nfs/dbraw/zinc/94/24/56/376942456.db2.gz AKAIJAKIODXEHF-UHFFFAOYSA-N -1 3 299.399 3.088 20 0 CGADHM CCO[C@@H](CC(=O)Nc1cc(Cl)ccc1[O-])C(C)C ZINC000340234381 376956758 /nfs/dbraw/zinc/95/67/58/376956758.db2.gz HADCGUFYGXNQPM-ZDUSSCGKSA-N -1 3 285.771 3.435 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])c1ccc2nccnc2c1 ZINC000340303985 376992619 /nfs/dbraw/zinc/99/26/19/376992619.db2.gz YCEFDADBMJRWFC-UHFFFAOYSA-N -1 3 299.717 3.241 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)CN2[C@H](C)CC[C@H]2C)c1[O-] ZINC000340325642 377003516 /nfs/dbraw/zinc/00/35/16/377003516.db2.gz XLVDVALETPXKRV-GHMZBOCLSA-N -1 3 296.798 3.165 20 0 CGADHM O=C(c1cccc([O-])c1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000035165287 296253329 /nfs/dbraw/zinc/25/33/29/296253329.db2.gz HNUXAADQFWGAPF-DOMZBBRYSA-N -1 3 259.349 3.187 20 0 CGADHM CCCOc1ccc(C=Cc2nc(C)cc(=O)[n-]2)cc1 ZINC000558451367 377009026 /nfs/dbraw/zinc/00/90/26/377009026.db2.gz RQEITIUMSMMOKS-TWGQIWQCSA-N -1 3 270.332 3.450 20 0 CGADHM CC(C)C(C)(C)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000560334567 377140190 /nfs/dbraw/zinc/14/01/90/377140190.db2.gz KPONFVLUYAFKPG-UHFFFAOYSA-N -1 3 293.791 3.192 20 0 CGADHM CC(C)CN(Cc1ccccc1)Cc1ncccc1[O-] ZINC000561395574 377224714 /nfs/dbraw/zinc/22/47/14/377224714.db2.gz RGDJCPQVLWHXDU-UHFFFAOYSA-N -1 3 270.376 3.445 20 0 CGADHM CC(C)SCc1nc(-c2ccc([O-])cc2)no1 ZINC000561526806 377230630 /nfs/dbraw/zinc/23/06/30/377230630.db2.gz FGPBKPGSVPBSIU-UHFFFAOYSA-N -1 3 250.323 3.084 20 0 CGADHM [O-]c1cccnc1CN(C1CC1)[C@@H]1CCc2ccccc21 ZINC000561947012 377255138 /nfs/dbraw/zinc/25/51/38/377255138.db2.gz NSTDFAMDUQVKRE-QGZVFWFLSA-N -1 3 280.371 3.439 20 0 CGADHM Cc1noc(C2CC2)c1[N-]C(=O)c1nc2c(s1)CCC2 ZINC000560998697 377201732 /nfs/dbraw/zinc/20/17/32/377201732.db2.gz IHVMXVQDHHLNFC-UHFFFAOYSA-N -1 3 289.360 3.058 20 0 CGADHM CCC[C@H](C)C[C@@H](NCc1ccc(F)cc1F)C(=O)[O-] ZINC000562929098 377372812 /nfs/dbraw/zinc/37/28/12/377372812.db2.gz CZXRTFDTXPDYOZ-IINYFYTJSA-N -1 3 285.334 3.334 20 0 CGADHM Cc1cccc([C@H]2CCCN2Cc2ccc(C(=O)[O-])cn2)c1 ZINC000563278391 377432915 /nfs/dbraw/zinc/43/29/15/377432915.db2.gz JDOFMZBGFAVUTO-QGZVFWFLSA-N -1 3 296.370 3.425 20 0 CGADHM C[C@@H]1CCN(Cc2ccc(C(=O)[O-])c(F)c2)CC1(C)C ZINC000563454222 377470763 /nfs/dbraw/zinc/47/07/63/377470763.db2.gz PQVOSEZXCHACPP-LLVKDONJSA-N -1 3 279.355 3.392 20 0 CGADHM CCc1ccc(C(=O)Nc2cccc(NC(C)=O)c2)c([O-])c1 ZINC000188429887 249057693 /nfs/dbraw/zinc/05/76/93/249057693.db2.gz WOAOFRJDPANIKU-UHFFFAOYSA-N -1 3 298.342 3.165 20 0 CGADHM O=C(N[C@@H]1CCCCC12CCCC2)c1ccc(O)cc1[O-] ZINC000314236734 249095852 /nfs/dbraw/zinc/09/58/52/249095852.db2.gz XPYSKAOYCBSRAC-OAHLLOKOSA-N -1 3 289.375 3.331 20 0 CGADHM C[C@@H]1CCC[C@H]1NCc1cccc([O-])c1Br ZINC000315045709 249098245 /nfs/dbraw/zinc/09/82/45/249098245.db2.gz QWSCTJHCGUODOK-MWLCHTKSSA-N -1 3 284.197 3.433 20 0 CGADHM [O-]c1cccc(CN2C[C@@H]3CCC[C@@H]3C2)c1Br ZINC000315317682 249099222 /nfs/dbraw/zinc/09/92/22/249099222.db2.gz AOLYWFNOUDAVAL-PHIMTYICSA-N -1 3 296.208 3.387 20 0 CGADHM Cc1ccc([O-])c(NC(=O)Cc2cccc(C3CC3)c2)n1 ZINC000514845596 249192030 /nfs/dbraw/zinc/19/20/30/249192030.db2.gz UBOLSSPLOVCPKZ-UHFFFAOYSA-N -1 3 282.343 3.154 20 0 CGADHM CCc1nc(C(C)C)ccc1CN1CCC(C(=O)[O-])CC1 ZINC000516479551 249234905 /nfs/dbraw/zinc/23/49/05/249234905.db2.gz OFFQZZPRPQELOT-UHFFFAOYSA-N -1 3 290.407 3.064 20 0 CGADHM CCC[C@@H](CC)S(=O)(=O)[N-]c1cc(F)cc(F)c1 ZINC000516705848 249242458 /nfs/dbraw/zinc/24/24/58/249242458.db2.gz MBKSCIOZFVMURZ-GFCCVEGCSA-N -1 3 277.336 3.285 20 0 CGADHM CCC1(CC)[C@@H](OC)C[C@@H]1N(C)Cc1occc1C(=O)[O-] ZINC000517036103 249254418 /nfs/dbraw/zinc/25/44/18/249254418.db2.gz YREGBNWRIMVMQP-KBPBESRZSA-N -1 3 295.379 3.003 20 0 CGADHM CCC1(CC)[C@H](OC)C[C@@H]1N(C)Cc1occc1C(=O)[O-] ZINC000517036105 249254886 /nfs/dbraw/zinc/25/48/86/249254886.db2.gz YREGBNWRIMVMQP-UONOGXRCSA-N -1 3 295.379 3.003 20 0 CGADHM CCN(CCC1CC1)C(=O)c1c[n-]c2ccc(C)cc2c1=O ZINC000342608645 377686453 /nfs/dbraw/zinc/68/64/53/377686453.db2.gz PPKFRSRTALNOOK-UHFFFAOYSA-N -1 3 298.386 3.099 20 0 CGADHM CCCN(Cc1ccccc1)C(=O)/C=C\c1cncc([O-])c1 ZINC000255141226 377736337 /nfs/dbraw/zinc/73/63/37/377736337.db2.gz YRJAHYIQLAVILK-HJWRWDBZSA-N -1 3 296.370 3.239 20 0 CGADHM COC[C@H](C)CC(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000342945948 377871005 /nfs/dbraw/zinc/87/10/05/377871005.db2.gz VDIOVNHJLSAGBD-MRVPVSSYSA-N -1 3 291.269 3.022 20 0 CGADHM CCc1cc(C(=O)N2CCc3ccsc3C2)ccc1[O-] ZINC000343014085 377882094 /nfs/dbraw/zinc/88/20/94/377882094.db2.gz UXTJZAAONPSLIG-UHFFFAOYSA-N -1 3 287.384 3.215 20 0 CGADHM Cc1nc2ccccc2c(N2CCC[C@@H](C(=O)[O-])C2)c1C ZINC000263377031 377929358 /nfs/dbraw/zinc/92/93/58/377929358.db2.gz BQTMURBYHZLKRD-CYBMUJFWSA-N -1 3 284.359 3.153 20 0 CGADHM C[C@H]1C[C@H](c2cccnc2)N(Cc2ccc(C(=O)[O-])cc2)C1 ZINC000263396277 377932690 /nfs/dbraw/zinc/93/26/90/377932690.db2.gz GQZRWLLQSCTEQU-SUMWQHHRSA-N -1 3 296.370 3.363 20 0 CGADHM CCCN(C(=O)c1c[n-]c2ccc(C)cc2c1=O)C(C)C ZINC000576052912 378009851 /nfs/dbraw/zinc/00/98/51/378009851.db2.gz ZGFHZEWJYZSAOY-UHFFFAOYSA-N -1 3 286.375 3.097 20 0 CGADHM Cc1cc(CN(C)[C@H]2CCc3ccccc32)oc1C(=O)[O-] ZINC000579240148 378143635 /nfs/dbraw/zinc/14/36/35/378143635.db2.gz COKQSDXGEJBLIT-HNNXBMFYSA-N -1 3 285.343 3.406 20 0 CGADHM Cc1ccccc1[C@H](C(=O)[O-])N1CCc2sccc2C1 ZINC000582067666 378283169 /nfs/dbraw/zinc/28/31/69/378283169.db2.gz DFXJKEOTHDTFFN-OAHLLOKOSA-N -1 3 287.384 3.241 20 0 CGADHM CCC[C@@H](CC)S(=O)(=O)[N-]c1cc(CC)ccc1O ZINC000582100852 378285995 /nfs/dbraw/zinc/28/59/95/378285995.db2.gz ABEWWTMXPGQBIA-GFCCVEGCSA-N -1 3 285.409 3.275 20 0 CGADHM CC(C)C[C@H](C)c1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000580707284 378250821 /nfs/dbraw/zinc/25/08/21/378250821.db2.gz FLWWIAORGODRHR-VIFPVBQESA-N -1 3 271.324 3.158 20 0 CGADHM CC(C)CO[N-]C(=O)Cc1csc2ccccc12 ZINC000269674888 378250775 /nfs/dbraw/zinc/25/07/75/378250775.db2.gz VWRRESOGABHZDU-UHFFFAOYSA-N -1 3 263.362 3.148 20 0 CGADHM CSc1nnc(NC(=O)CC[C@H](C)c2ccccc2)[n-]1 ZINC000269725927 378259853 /nfs/dbraw/zinc/25/98/53/378259853.db2.gz WCRRHTCHIOGLEC-JTQLQIEISA-N -1 3 290.392 3.049 20 0 CGADHM CSc1n[n-]c(NC(=O)CC[C@H](C)c2ccccc2)n1 ZINC000269725927 378259859 /nfs/dbraw/zinc/25/98/59/378259859.db2.gz WCRRHTCHIOGLEC-JTQLQIEISA-N -1 3 290.392 3.049 20 0 CGADHM CSc1nc(NC(=O)CC[C@H](C)c2ccccc2)n[n-]1 ZINC000269725927 378259863 /nfs/dbraw/zinc/25/98/63/378259863.db2.gz WCRRHTCHIOGLEC-JTQLQIEISA-N -1 3 290.392 3.049 20 0 CGADHM O=C(CC[C@@H]1CCCCO1)Nc1ccc(Cl)cc1[O-] ZINC000270017381 378295054 /nfs/dbraw/zinc/29/50/54/378295054.db2.gz DLUYELYBDDSSPA-NSHDSACASA-N -1 3 283.755 3.333 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2ccc(F)cc2Cl)n1 ZINC000345926569 378410106 /nfs/dbraw/zinc/41/01/06/378410106.db2.gz LTTJBIIMSAHJFF-UHFFFAOYSA-N -1 3 280.686 3.140 20 0 CGADHM CSc1ccc(CN2CC[C@H](C)[C@H](C(=O)[O-])C2)s1 ZINC000584053231 378369974 /nfs/dbraw/zinc/36/99/74/378369974.db2.gz CKYCYRJRHWSNCI-GXSJLCMTSA-N -1 3 285.434 3.013 20 0 CGADHM CSc1ccc(CN2CC[C@@H](C)[C@H](C(=O)[O-])C2)s1 ZINC000584053233 378370516 /nfs/dbraw/zinc/37/05/16/378370516.db2.gz CKYCYRJRHWSNCI-MWLCHTKSSA-N -1 3 285.434 3.013 20 0 CGADHM CC[C@](C)(NC(=O)c1ccc([O-])c(C)c1)c1nccs1 ZINC000272453138 378641313 /nfs/dbraw/zinc/64/13/13/378641313.db2.gz NSMVYZXBQHJPOE-HNNXBMFYSA-N -1 3 290.388 3.212 20 0 CGADHM COc1cc(C(=O)N2C[C@@H](C)[C@H]2c2ccccc2)ccc1[O-] ZINC000272627718 378679160 /nfs/dbraw/zinc/67/91/60/378679160.db2.gz TXBWCNBUGGRDBZ-PXAZEXFGSA-N -1 3 297.354 3.234 20 0 CGADHM Cc1ncc(CN[C@@H](C)c2ccc3c(c2)CCCC3)c(=O)[n-]1 ZINC000346785654 218011956 /nfs/dbraw/zinc/01/19/56/218011956.db2.gz CSTNWTDUPUPLCE-LBPRGKRZSA-N -1 3 297.402 3.220 20 0 CGADHM Cc1ncc(CN[C@@H](C)c2ccc3ccccc3c2)c(=O)[n-]1 ZINC000346809534 218021136 /nfs/dbraw/zinc/02/11/36/218021136.db2.gz PXSBAXBTBOTOJB-LBPRGKRZSA-N -1 3 293.370 3.495 20 0 CGADHM CCc1onc(C)c1[N-]C(=O)c1ccc(C(C)=O)cc1F ZINC000347130315 218131595 /nfs/dbraw/zinc/13/15/95/218131595.db2.gz JZVUMMNGPDFYFA-UHFFFAOYSA-N -1 3 290.294 3.139 20 0 CGADHM Cc1cccc(CN[C@H](CC(=O)[O-])c2ccsc2)c1 ZINC000276980783 379037120 /nfs/dbraw/zinc/03/71/20/379037120.db2.gz IGTGIJHLNCBVSH-CQSZACIVSA-N -1 3 275.373 3.362 20 0 CGADHM O=C([O-])CCCCCNCc1ccc(F)cc1Cl ZINC000276986450 379038954 /nfs/dbraw/zinc/03/89/54/379038954.db2.gz JARXJGBZYLMHTJ-UHFFFAOYSA-N -1 3 273.735 3.214 20 0 CGADHM COc1cc(C(=O)N2CCC(C)(C(C)C)CC2)ccc1[O-] ZINC000277084271 379062619 /nfs/dbraw/zinc/06/26/19/379062619.db2.gz KBZGHPQFHDEJTP-UHFFFAOYSA-N -1 3 291.391 3.299 20 0 CGADHM O=C([O-])[C@@H](NC[C@@H]1CC=CCC1)c1c(F)cccc1F ZINC000277166045 379086296 /nfs/dbraw/zinc/08/62/96/379086296.db2.gz DLQRISLEVNIJAQ-YGRLFVJLSA-N -1 3 281.302 3.036 20 0 CGADHM O=C([O-])[C@H](NC[C@H]1CC=CCC1)c1c(F)cccc1F ZINC000277166033 379087175 /nfs/dbraw/zinc/08/71/75/379087175.db2.gz DLQRISLEVNIJAQ-IINYFYTJSA-N -1 3 281.302 3.036 20 0 CGADHM CC(C)[C@@H](CNC(=O)c1csc(=O)[n-]1)c1ccccc1 ZINC000348929330 379115180 /nfs/dbraw/zinc/11/51/80/379115180.db2.gz FYEDAKZGAWLJJF-GFCCVEGCSA-N -1 3 290.388 3.018 20 0 CGADHM COc1cccc(C(=O)N(CC2CCC2)C(C)C)c1[O-] ZINC000277491084 379174190 /nfs/dbraw/zinc/17/41/90/379174190.db2.gz CQHUZZPBRTWCBJ-UHFFFAOYSA-N -1 3 277.364 3.052 20 0 CGADHM Cc1nc2ccc(C(=O)Nc3ccc(C)cc3[O-])cc2o1 ZINC000349298455 379220317 /nfs/dbraw/zinc/22/03/17/379220317.db2.gz LVAVFQBCWGRPTE-UHFFFAOYSA-N -1 3 282.299 3.403 20 0 CGADHM CC(C)c1ccc(CN(C)C(=O)c2csc(=O)[n-]2)cc1 ZINC000349252785 379208361 /nfs/dbraw/zinc/20/83/61/379208361.db2.gz OQHFLGPATXJFSS-UHFFFAOYSA-N -1 3 290.388 3.244 20 0 CGADHM COc1cc(C)c(NC(=O)[N-]OCC(C)C)cc1C ZINC000278853917 194185525 /nfs/dbraw/zinc/18/55/25/194185525.db2.gz WVAPVWULJLSNGY-UHFFFAOYSA-N -1 3 266.341 3.021 20 0 CGADHM CCOc1cc(-c2noc(CO[C@H](C)CC)n2)ccc1[O-] ZINC000277818269 379242297 /nfs/dbraw/zinc/24/22/97/379242297.db2.gz HDVUAWCAGNOZBO-SNVBAGLBSA-N -1 3 292.335 3.156 20 0 CGADHM O=C(NCc1ccc([O-])c(F)c1)NC1CCC2(CC2)CC1 ZINC000277850339 379250910 /nfs/dbraw/zinc/25/09/10/379250910.db2.gz ZIMLWTJSPSSTLU-UHFFFAOYSA-N -1 3 292.354 3.053 20 0 CGADHM O=C(Nc1ccc(Cl)cc1)c1c[n-]nc1-c1ccncc1 ZINC000349415798 379274159 /nfs/dbraw/zinc/27/41/59/379274159.db2.gz OPRHOOFMMVFKBY-UHFFFAOYSA-N -1 3 298.733 3.377 20 0 CGADHM O=C(Nc1ccc(Cl)cc1)c1cn[n-]c1-c1ccncc1 ZINC000349415798 379274162 /nfs/dbraw/zinc/27/41/62/379274162.db2.gz OPRHOOFMMVFKBY-UHFFFAOYSA-N -1 3 298.733 3.377 20 0 CGADHM [O-]c1cc(F)cc(CN[C@H]2COc3ccc(Cl)cc32)c1 ZINC000349616792 379320567 /nfs/dbraw/zinc/32/05/67/379320567.db2.gz WYLXEXPIMDHICI-AWEZNQCLSA-N -1 3 293.725 3.408 20 0 CGADHM [O-]c1cc(F)cc(CNCc2cc(-c3ccccc3)no2)c1 ZINC000349594416 379313780 /nfs/dbraw/zinc/31/37/80/379313780.db2.gz ABBADNCGGCOLMC-UHFFFAOYSA-N -1 3 298.317 3.476 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N(C)C[C@@H](C)c2ccccc2)n1 ZINC000279530353 379453296 /nfs/dbraw/zinc/45/32/96/379453296.db2.gz RJSATKIKFTZLPG-OCCSQVGLSA-N -1 3 285.391 3.287 20 0 CGADHM CCC[C@@H](C)c1cc(NC(=O)c2cc(C(F)F)[n-]n2)n[nH]1 ZINC000639831677 379603320 /nfs/dbraw/zinc/60/33/20/379603320.db2.gz SOUSMFPCOXASIZ-SSDOTTSWSA-N -1 3 297.309 3.226 20 0 CGADHM CO[C@H]1CCC[C@@H](c2nc(-c3ccc([O-])cc3)no2)C1 ZINC000350564206 379561359 /nfs/dbraw/zinc/56/13/59/379561359.db2.gz FRPLEAUCQAWTNU-YPMHNXCESA-N -1 3 274.320 3.115 20 0 CGADHM [O-]c1ccc(-c2noc(-c3scnc3C3CC3)n2)cc1 ZINC000350579247 379564466 /nfs/dbraw/zinc/56/44/66/379564466.db2.gz NPUMRCKITXEPSB-UHFFFAOYSA-N -1 3 285.328 3.443 20 0 CGADHM [O-]c1ccc(Cl)c(CN2CCC[C@@H]2c2cn[nH]c2)c1 ZINC000639775924 379575664 /nfs/dbraw/zinc/57/56/64/379575664.db2.gz HQLYAEPOTBOXFI-CQSZACIVSA-N -1 3 277.755 3.106 20 0 CGADHM FC(c1nc(-c2ccc3n[n-]nc3c2)no1)=C1CCCC1 ZINC000351454615 379723576 /nfs/dbraw/zinc/72/35/76/379723576.db2.gz HGIPESWNGGRZFJ-UHFFFAOYSA-N -1 3 285.282 3.263 20 0 CGADHM CC(C)(CCC(=O)NCc1ncccc1[O-])c1ccccc1 ZINC000352517779 379843064 /nfs/dbraw/zinc/84/30/64/379843064.db2.gz RZVQJGPUWQKYJQ-UHFFFAOYSA-N -1 3 298.386 3.161 20 0 CGADHM CCn1nc(NC(=O)c2cccc(C)c2[O-])cc1C1CC1 ZINC000267531768 190336457 /nfs/dbraw/zinc/33/64/57/190336457.db2.gz QNMSHUXJGUFNQC-UHFFFAOYSA-N -1 3 285.347 3.047 20 0 CGADHM Cc1cccc([O-])c1NC(=O)[C@H](C)Oc1ccccc1F ZINC000352637202 379886796 /nfs/dbraw/zinc/88/67/96/379886796.db2.gz MOYNOQBSFDSDPL-NSHDSACASA-N -1 3 289.306 3.246 20 0 CGADHM Cc1cccc([O-])c1NC(=O)C[C@H](C)c1cccnc1 ZINC000352643061 379888507 /nfs/dbraw/zinc/88/85/07/379888507.db2.gz HYPJAKJVGYOOLB-LBPRGKRZSA-N -1 3 270.332 3.228 20 0 CGADHM CS[C@H](C)CCC(=O)Nc1c(C)cccc1[O-] ZINC000352644307 379888690 /nfs/dbraw/zinc/88/86/90/379888690.db2.gz NAFQFMLZHRAJDP-SNVBAGLBSA-N -1 3 253.367 3.171 20 0 CGADHM CC[C@H](CNC(=O)c1ccc([O-])c(C)c1)CC(F)(F)F ZINC000402496577 379965746 /nfs/dbraw/zinc/96/57/46/379965746.db2.gz YJNABBFJAHMYKS-JTQLQIEISA-N -1 3 289.297 3.409 20 0 CGADHM CC[C@H]1C[C@@H](C)CN1C(=O)c1cc([O-])ccc1Cl ZINC000399714229 379943678 /nfs/dbraw/zinc/94/36/78/379943678.db2.gz ZHULQBVPUQZCCE-ZJUUUORDSA-N -1 3 267.756 3.306 20 0 CGADHM C[C@@H]1CCC[C@H]1CC(=O)Nc1ccc([O-])cc1F ZINC000347864246 218382327 /nfs/dbraw/zinc/38/23/27/218382327.db2.gz FXABGYHBKFPJNF-ZJUUUORDSA-N -1 3 251.301 3.296 20 0 CGADHM CC[C@@H](C)CCC(=O)Nc1n[n-]c(-c2ccccc2F)n1 ZINC000353154047 380143031 /nfs/dbraw/zinc/14/30/31/380143031.db2.gz RKPWEJKFRDXCSL-SNVBAGLBSA-N -1 3 290.342 3.376 20 0 CGADHM CCc1ccc(C(=O)N2CCCC[C@H]2c2cc[nH]n2)c([O-])c1 ZINC000286148786 380165926 /nfs/dbraw/zinc/16/59/26/380165926.db2.gz XZXCMUZBPWSGGH-HNNXBMFYSA-N -1 3 299.374 3.045 20 0 CGADHM CCCS(=O)(=O)[N-]c1cc(Cl)c(Cl)cc1F ZINC000414471058 380251471 /nfs/dbraw/zinc/25/14/71/380251471.db2.gz NSJDZBIDSKEGEU-UHFFFAOYSA-N -1 3 286.155 3.284 20 0 CGADHM Cc1nc([N-]C(=O)c2cc(COC(C)(C)C)on2)cs1 ZINC000353981476 380263862 /nfs/dbraw/zinc/26/38/62/380263862.db2.gz LGBAXEDCDIEIOY-UHFFFAOYSA-N -1 3 295.364 3.007 20 0 CGADHM Cc1cc(C(=O)N2Cc3ccccc3C[C@@H]2C)ccc1[O-] ZINC000436933274 291747389 /nfs/dbraw/zinc/74/73/89/291747389.db2.gz BOMLIUMYPNQJRH-ZDUSSCGKSA-N -1 3 281.355 3.288 20 0 CGADHM CC(C)(CNCc1cccc([O-])c1Cl)OCC1CC1 ZINC000414501980 380277423 /nfs/dbraw/zinc/27/74/23/380277423.db2.gz ILBDLIDLTDYAML-UHFFFAOYSA-N -1 3 283.799 3.340 20 0 CGADHM Cc1ccc(-c2nc([C@H](N)CC(C)C)no2)c([O-])c1C ZINC000414619765 380339068 /nfs/dbraw/zinc/33/90/68/380339068.db2.gz KSOUVTYMTQDZGL-GFCCVEGCSA-N -1 3 275.352 3.105 20 0 CGADHM CCc1cc(C(=O)N[C@H]2CCCC2(C)C)ccc1[O-] ZINC000644015734 380408352 /nfs/dbraw/zinc/40/83/52/380408352.db2.gz OKRPMJYCOFLHDQ-AWEZNQCLSA-N -1 3 261.365 3.263 20 0 CGADHM [O-]c1ccc(F)c(CN2CC[C@@H](CC3CC3)C2)c1F ZINC000354523000 380469489 /nfs/dbraw/zinc/46/94/89/380469489.db2.gz BHWMWVSADVXLNM-NSHDSACASA-N -1 3 267.319 3.292 20 0 CGADHM CCCOc1cccc(NCc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000417003423 380558383 /nfs/dbraw/zinc/55/83/83/380558383.db2.gz HKSXSMMHRCIUJJ-UHFFFAOYSA-N -1 3 299.374 3.461 20 0 CGADHM COc1ccc(F)c(CNCCC(C)(C)CCC(=O)[O-])c1 ZINC000417561900 380637741 /nfs/dbraw/zinc/63/77/41/380637741.db2.gz IVIDKNOUEXZTET-UHFFFAOYSA-N -1 3 297.370 3.205 20 0 CGADHM Cc1cc(F)c(CNC[C@@H](C)CCC(=O)[O-])c(Cl)c1 ZINC000417576455 380643627 /nfs/dbraw/zinc/64/36/27/380643627.db2.gz ZGKNKWXMAUXEMV-VIFPVBQESA-N -1 3 287.762 3.378 20 0 CGADHM CCc1ccc(-c2ccc(CNC[C@@H](C)C(=O)[O-])o2)cc1 ZINC000417584069 380645168 /nfs/dbraw/zinc/64/51/68/380645168.db2.gz MBBCDEBVTKENRN-GFCCVEGCSA-N -1 3 287.359 3.319 20 0 CGADHM [O-]c1cccc(CNCCOc2cccc(F)c2)c1Cl ZINC000645147695 380594665 /nfs/dbraw/zinc/59/46/65/380594665.db2.gz HSGRZBHKFAMBSE-UHFFFAOYSA-N -1 3 295.741 3.353 20 0 CGADHM Cc1ccc(CN[C@H](CCC(=O)[O-])c2ccccc2)nc1 ZINC000417600417 380647351 /nfs/dbraw/zinc/64/73/51/380647351.db2.gz JIIGKWVKWUHBNO-MRXNPFEDSA-N -1 3 284.359 3.086 20 0 CGADHM Cc1ccccc1CN[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000417612118 380650185 /nfs/dbraw/zinc/65/01/85/380650185.db2.gz BKIOXSCJAMHZCD-IAGOWNOFSA-N -1 3 281.355 3.398 20 0 CGADHM Cc1ccc(-c2ccc(CN[C@H]3C=C[C@@H](C(=O)[O-])C3)o2)cc1 ZINC000417618441 380653929 /nfs/dbraw/zinc/65/39/29/380653929.db2.gz JJQDAWIJKAGXPS-CABCVRRESA-N -1 3 297.354 3.374 20 0 CGADHM CC(C)[C@@H](C)N(C)C(=O)Cc1ccc([O-])cc1Cl ZINC000357208700 381067668 /nfs/dbraw/zinc/06/76/68/381067668.db2.gz WEXVNSQSXAWPKL-SNVBAGLBSA-N -1 3 269.772 3.091 20 0 CGADHM C[C@H](CN(C)C(=O)c1cccc([O-])c1)c1ccccc1 ZINC000357433943 381157841 /nfs/dbraw/zinc/15/78/41/381157841.db2.gz RCIZECGTBUZPIC-CYBMUJFWSA-N -1 3 269.344 3.268 20 0 CGADHM Cc1sc2[n-]c(CO)nc(=O)c2c1-c1ccc(C)cc1 ZINC000361421936 381740992 /nfs/dbraw/zinc/74/09/92/381740992.db2.gz WTVKSTIIPTZACE-UHFFFAOYSA-N -1 3 286.356 3.173 20 0 CGADHM Cc1cccc2c(=O)c(C(=O)N(C)[C@H](C)C3CCC3)c[n-]c12 ZINC000361596078 381827541 /nfs/dbraw/zinc/82/75/41/381827541.db2.gz ZMRBJPOWBBXIRU-GFCCVEGCSA-N -1 3 298.386 3.097 20 0 CGADHM CCc1cc(C(=O)N2CCC[C@@H](C)[C@H]2C)ccc1[O-] ZINC000362824859 382127635 /nfs/dbraw/zinc/12/76/35/382127635.db2.gz FQRLIBBEKKSWMK-VXGBXAGGSA-N -1 3 261.365 3.215 20 0 CGADHM CCc1cc(C(=O)N2CC[C@@](C)(CC)C2)ccc1[O-] ZINC000362901941 382142072 /nfs/dbraw/zinc/14/20/72/382142072.db2.gz UGGLWVUNGLKRLN-MRXNPFEDSA-N -1 3 261.365 3.217 20 0 CGADHM Cc1cc(Cl)ccc1CN1CCC(C)(C(=O)[O-])CC1 ZINC000235785706 542314047 /nfs/dbraw/zinc/31/40/47/542314047.db2.gz PAFIWYUGLAKYIM-UHFFFAOYSA-N -1 3 281.783 3.335 20 0 CGADHM C[C@H]1CCC[C@H](C)N1Cc1ccc(C(=O)[O-])c(F)c1 ZINC000235572696 542312376 /nfs/dbraw/zinc/31/23/76/542312376.db2.gz JTYJDYYIPZXKJU-QWRGUYRKSA-N -1 3 265.328 3.287 20 0 CGADHM [O-]c1ccc(-c2noc([C@H]3CCC[C@@H](F)C3)n2)cc1 ZINC000335279154 208088329 /nfs/dbraw/zinc/08/83/29/208088329.db2.gz YAKMJGNTFZHYQD-WDEREUQCSA-N -1 3 262.284 3.438 20 0 CGADHM O=C([N-]c1ccsc1Cl)c1ncoc1[C@H]1CCCO1 ZINC000335386241 208337404 /nfs/dbraw/zinc/33/74/04/208337404.db2.gz UELSCGBIYYUKLB-MRVPVSSYSA-N -1 3 298.751 3.493 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)c2ocnc2C2CC2)c1[O-] ZINC000289371910 197316566 /nfs/dbraw/zinc/31/65/66/197316566.db2.gz LNYVCASKHZGKKL-UHFFFAOYSA-N -1 3 292.722 3.472 20 0 CGADHM CCOC[C@@H]1CCN(C(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000280351354 542381413 /nfs/dbraw/zinc/38/14/13/542381413.db2.gz KNLLVLIWOSSWMG-CYBMUJFWSA-N -1 3 299.370 3.044 20 0 CGADHM CC[C@H]1CN(C(=O)c2cc([O-])c3ccccc3c2)C[C@H](C)O1 ZINC000281018178 542382595 /nfs/dbraw/zinc/38/25/95/542382595.db2.gz VPJRVNCRXKAGPH-WFASDCNBSA-N -1 3 299.370 3.185 20 0 CGADHM Cc1ccc(C(=O)N(C)C2CCC(F)(F)CC2)c([O-])c1 ZINC000289144304 197245443 /nfs/dbraw/zinc/24/54/43/197245443.db2.gz YPIRGCPCUOVMJY-UHFFFAOYSA-N -1 3 283.318 3.351 20 0 CGADHM CCc1ocnc1C(=O)[N-]c1ncsc1C(C)C ZINC000289107641 197235980 /nfs/dbraw/zinc/23/59/80/197235980.db2.gz JNYFMNDINYQEPF-UHFFFAOYSA-N -1 3 265.338 3.069 20 0 CGADHM O=C([O-])c1cccc(CN2CCS[C@H]3CCCC[C@@H]32)c1 ZINC000263508473 304260120 /nfs/dbraw/zinc/26/01/20/304260120.db2.gz XYCVREGUOIRHDZ-GJZGRUSLSA-N -1 3 291.416 3.245 20 0 CGADHM C[C@H](c1ccccc1Cl)N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000302461805 572517693 /nfs/dbraw/zinc/51/76/93/572517693.db2.gz DXUWFZKYBWRVKA-IJLUTSLNSA-N -1 3 281.783 3.444 20 0 CGADHM CCC[C@@H](CCc1ccccc1)[N-]C(=O)C(F)(F)F ZINC000741710009 572520517 /nfs/dbraw/zinc/52/05/17/572520517.db2.gz SAVCIUWQGLMIIB-LBPRGKRZSA-N -1 3 273.298 3.466 20 0 CGADHM C[C@@H]1N(C(=O)c2cc([O-])c3ccccc3c2)CCOC1(C)C ZINC000354968370 542564650 /nfs/dbraw/zinc/56/46/50/542564650.db2.gz FVFQPPYHKAIPAR-LBPRGKRZSA-N -1 3 299.370 3.185 20 0 CGADHM CO[C@@H]1CCN(C(=O)c2ccc(C(C)C)cc2[O-])[C@H](C)C1 ZINC000281823577 195397312 /nfs/dbraw/zinc/39/73/12/195397312.db2.gz RHMGXLZJFOGVHE-TZMCWYRMSA-N -1 3 291.391 3.155 20 0 CGADHM CO[C@@H]1CCN(C(=O)c2ccc(C(C)C)cc2[O-])[C@@H](C)C1 ZINC000281823570 195397776 /nfs/dbraw/zinc/39/77/76/195397776.db2.gz RHMGXLZJFOGVHE-GXTWGEPZSA-N -1 3 291.391 3.155 20 0 CGADHM [O-]c1ccc(-c2noc(-c3nc4cccnc4s3)n2)cc1 ZINC000436513102 285383375 /nfs/dbraw/zinc/38/33/75/285383375.db2.gz LHEWDCLFXVXIKW-UHFFFAOYSA-N -1 3 296.311 3.114 20 0 CGADHM COc1ccc(C(=O)NCc2c(C)cc(C)cc2C)c([O-])c1 ZINC000436704226 533336605 /nfs/dbraw/zinc/33/66/05/533336605.db2.gz GKIQXBPLBURATG-UHFFFAOYSA-N -1 3 299.370 3.256 20 0 CGADHM CO[C@](C)(c1noc(-c2ccc(C)c(C)c2[O-])n1)C1CC1 ZINC000436952788 533357660 /nfs/dbraw/zinc/35/76/60/533357660.db2.gz YTAZCKYTJZBVGQ-INIZCTEOSA-N -1 3 288.347 3.331 20 0 CGADHM COc1cccc(C(=O)N[C@H]2C[C@H](c3ccccc3)C2)c1[O-] ZINC000437444717 533418768 /nfs/dbraw/zinc/41/87/68/533418768.db2.gz ZKBHYLBXAJSZDT-HDJSIYSDSA-N -1 3 297.354 3.077 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N2Cc3cccc(Cl)c3C2)n1 ZINC000287467391 291972629 /nfs/dbraw/zinc/97/26/29/291972629.db2.gz RPJIPNKMPJJETE-JTQLQIEISA-N -1 3 289.766 3.221 20 0 CGADHM Cc1ccc(C(=O)N[C@H]2CCc3c2cccc3O)c([O-])c1C ZINC000436553208 533600668 /nfs/dbraw/zinc/60/06/68/533600668.db2.gz ZGXIWYSDIUWGKT-HNNXBMFYSA-N -1 3 297.354 3.132 20 0 CGADHM Cc1ccc([O-])c(C(=O)N[C@@H](C)C2CCCCC2)c1 ZINC000052343679 392077771 /nfs/dbraw/zinc/07/77/71/392077771.db2.gz MVTOVMWBAWVAEC-LBPRGKRZSA-N -1 3 261.365 3.399 20 0 CGADHM COc1ccc([O-])c(-c2nc(C3CCCCC3)no2)c1 ZINC000109037149 392351357 /nfs/dbraw/zinc/35/13/57/392351357.db2.gz DLCBUIOMGCDFJS-UHFFFAOYSA-N -1 3 274.320 3.499 20 0 CGADHM Cc1occc1COC(=O)c1cc2ccsc2[n-]1 ZINC000733700685 572596844 /nfs/dbraw/zinc/59/68/44/572596844.db2.gz PUQMFUIMWVCOLY-UHFFFAOYSA-N -1 3 261.302 3.488 20 0 CGADHM Cc1ccc(F)c([N-]S(=O)(=O)c2ccccc2C)c1 ZINC000112333707 392381618 /nfs/dbraw/zinc/38/16/18/392381618.db2.gz QZYXCZGJXCJCFD-UHFFFAOYSA-N -1 3 279.336 3.243 20 0 CGADHM C[C@@H](C(=O)Nc1ccc(Cl)cc1[O-])N1[C@H](C)CC[C@@H]1C ZINC000153483595 392518783 /nfs/dbraw/zinc/51/87/83/392518783.db2.gz YHZCVFGXZVNRRX-AXFHLTTASA-N -1 3 296.798 3.245 20 0 CGADHM CC[C@H]1CCN1C(=O)c1cc([O-])c2ccccc2c1 ZINC000293942994 392530109 /nfs/dbraw/zinc/53/01/09/392530109.db2.gz INVJJXJVTDKBPW-ZDUSSCGKSA-N -1 3 255.317 3.170 20 0 CGADHM CCCN(Cc1ccccc1)C(=O)c1ccc(OC)cc1[O-] ZINC000301218366 392585617 /nfs/dbraw/zinc/58/56/17/392585617.db2.gz ODPDLCQXHMKCMR-UHFFFAOYSA-N -1 3 299.370 3.453 20 0 CGADHM Cc1cc([C@@H]2CCCN2Cc2cc([O-])cc(F)c2)no1 ZINC000372223575 392593892 /nfs/dbraw/zinc/59/38/92/392593892.db2.gz SMFBNDOFKHDRAG-HNNXBMFYSA-N -1 3 276.311 3.165 20 0 CGADHM CCC(=O)c1ccc(C(=O)Nc2cccc([O-])c2F)cc1 ZINC000534211101 288404589 /nfs/dbraw/zinc/40/45/89/288404589.db2.gz KQDRRCDXPCKOMA-UHFFFAOYSA-N -1 3 287.290 3.376 20 0 CGADHM O=C(Nc1ccc(F)c(Cl)c1)c1ccc2n[n-]nc2c1 ZINC000170224574 392612649 /nfs/dbraw/zinc/61/26/49/392612649.db2.gz ROHBNPWCLLPXLP-UHFFFAOYSA-N -1 3 290.685 3.003 20 0 CGADHM CCOc1ccc(CN(C)Cc2nc(C)ccc2[O-])cc1 ZINC000505701269 392689446 /nfs/dbraw/zinc/68/94/46/392689446.db2.gz VSFQLVGKCMELBV-UHFFFAOYSA-N -1 3 286.375 3.126 20 0 CGADHM CC[C@@H]1Cc2ccccc2CN1C(=O)c1ccc(O)cc1[O-] ZINC000183836243 392760653 /nfs/dbraw/zinc/76/06/53/392760653.db2.gz JXLIUVMOFYRHLV-CQSZACIVSA-N -1 3 297.354 3.075 20 0 CGADHM Cc1cccc(C(=O)N2CC=C(c3ccccc3F)C2)c1[O-] ZINC000374824045 392706937 /nfs/dbraw/zinc/70/69/37/392706937.db2.gz HTGUKZVRKUQYEJ-UHFFFAOYSA-N -1 3 297.329 3.379 20 0 CGADHM C[C@H]1Cc2ccccc2N1C(=O)c1cc(C(F)(F)F)n[n-]1 ZINC000334271905 392716231 /nfs/dbraw/zinc/71/62/31/392716231.db2.gz WCINGZPRBPBBIL-QMMMGPOBSA-N -1 3 295.264 3.020 20 0 CGADHM C[C@H]1Cc2ccccc2N1C(=O)c1cc(C(F)(F)F)[n-]n1 ZINC000334271905 392716233 /nfs/dbraw/zinc/71/62/33/392716233.db2.gz WCINGZPRBPBBIL-QMMMGPOBSA-N -1 3 295.264 3.020 20 0 CGADHM CCCCOCC(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000506243240 392716800 /nfs/dbraw/zinc/71/68/00/392716800.db2.gz JOSKVZWXRSIFDS-UHFFFAOYSA-N -1 3 279.380 3.445 20 0 CGADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CC[C@@H]1C(F)(F)F ZINC000647752085 392791560 /nfs/dbraw/zinc/79/15/60/392791560.db2.gz QXPOBHJMKODXKJ-CYBMUJFWSA-N -1 3 299.292 3.048 20 0 CGADHM [O-]c1ccc(F)c(CN2CC[C@H](c3cccnc3)C2)c1F ZINC000335443235 392793377 /nfs/dbraw/zinc/79/33/77/392793377.db2.gz LNKHVYVBVVPIKR-LBPRGKRZSA-N -1 3 290.313 3.055 20 0 CGADHM C[C@@H]1CCN(C(=O)[C@H]2CCCSC2)c2c([O-])cccc21 ZINC000336100570 392834032 /nfs/dbraw/zinc/83/40/32/392834032.db2.gz ZNMLMYPFBXOVCN-NEPJUHHUSA-N -1 3 291.416 3.376 20 0 CGADHM Cc1sc(C(=O)[O-])cc1CN1CCCO[C@@H](C(C)C)C1 ZINC000381161119 392905754 /nfs/dbraw/zinc/90/57/54/392905754.db2.gz VUXZZBSOWFIDCX-CYBMUJFWSA-N -1 3 297.420 3.002 20 0 CGADHM CC(C)c1cc(C(=O)[N-]c2nc(C(F)(F)F)co2)no1 ZINC000648014689 392871092 /nfs/dbraw/zinc/87/10/92/392871092.db2.gz MWDPEIZPXAFGHD-UHFFFAOYSA-N -1 3 289.213 3.057 20 0 CGADHM C[C@H](c1ccco1)N(C(=O)c1ccccc1[O-])C1CC1 ZINC000194485872 392924441 /nfs/dbraw/zinc/92/44/41/392924441.db2.gz GZLDVAYMQURBSI-LLVKDONJSA-N -1 3 271.316 3.351 20 0 CGADHM CSCc1cccc(NC(=O)c2cccc3nn[n-]c32)c1 ZINC000525864659 392949980 /nfs/dbraw/zinc/94/99/80/392949980.db2.gz WCFGRZHYEJXYTM-UHFFFAOYSA-N -1 3 298.371 3.073 20 0 CGADHM CSCc1cccc(NC(=O)c2cccc3[n-]nnc32)c1 ZINC000525864659 392949986 /nfs/dbraw/zinc/94/99/86/392949986.db2.gz WCFGRZHYEJXYTM-UHFFFAOYSA-N -1 3 298.371 3.073 20 0 CGADHM CSCc1cccc(NC(=O)c2cccc3n[n-]nc32)c1 ZINC000525864659 392949988 /nfs/dbraw/zinc/94/99/88/392949988.db2.gz WCFGRZHYEJXYTM-UHFFFAOYSA-N -1 3 298.371 3.073 20 0 CGADHM Cc1oc([C@H](C)N(C)CC2CCC2)cc1C(=O)[O-] ZINC000516872580 542736162 /nfs/dbraw/zinc/73/61/62/542736162.db2.gz GHGJTPWDPRBZBJ-VIFPVBQESA-N -1 3 251.326 3.079 20 0 CGADHM Cc1cccc(C(=O)N[C@H]2C[C@@H]2c2cccc(F)c2)c1[O-] ZINC000195716137 392974389 /nfs/dbraw/zinc/97/43/89/392974389.db2.gz DGWLEKLFMZERON-CABCVRRESA-N -1 3 285.318 3.126 20 0 CGADHM Cc1cccc(C(=O)NCCO[C@@H]2CCCC[C@H]2C)c1[O-] ZINC000195594311 392971334 /nfs/dbraw/zinc/97/13/34/392971334.db2.gz QHDCKAWKZXUIJE-IUODEOHRSA-N -1 3 291.391 3.026 20 0 CGADHM Cc1cccc(C(=O)Nc2ccccc2-n2cccn2)c1[O-] ZINC000195611350 392971907 /nfs/dbraw/zinc/97/19/07/392971907.db2.gz BCVDZQYEUFXXTC-UHFFFAOYSA-N -1 3 293.326 3.139 20 0 CGADHM Cc1cc(Cl)ccc1CN1CCCC[C@@H]1C(=O)[O-] ZINC000235785872 393029647 /nfs/dbraw/zinc/02/96/47/393029647.db2.gz VPQKPTJBJCJTEM-CYBMUJFWSA-N -1 3 267.756 3.088 20 0 CGADHM Cc1cc([C@H](C)NCc2cnc(C)[n-]c2=O)cc(C)c1F ZINC000346798001 393094849 /nfs/dbraw/zinc/09/48/49/393094849.db2.gz PDGRYGDARVQYBA-NSHDSACASA-N -1 3 289.354 3.097 20 0 CGADHM C[C@H](c1cccs1)N(C)C(=O)/C=C\c1cncc([O-])c1 ZINC000255624685 393133113 /nfs/dbraw/zinc/13/31/13/393133113.db2.gz SEMATCXEHRIMTB-ISALQUGTSA-N -1 3 288.372 3.082 20 0 CGADHM O=C([O-])CCCN(CCC(F)(F)F)Cc1ccccc1 ZINC000262485888 393147197 /nfs/dbraw/zinc/14/71/97/393147197.db2.gz WMUIYVRILRVVOQ-UHFFFAOYSA-N -1 3 289.297 3.306 20 0 CGADHM O=C([O-])[C@@]12CCC[C@H]1CN(Cc1sccc1Cl)C2 ZINC000263580149 393152039 /nfs/dbraw/zinc/15/20/39/393152039.db2.gz VPFSEGIPHOBPRV-TVQRCGJNSA-N -1 3 285.796 3.088 20 0 CGADHM CCCn1c(=O)[n-]nc1SC[C@@H]1C[C@H]1c1ccccc1 ZINC000575634390 393203182 /nfs/dbraw/zinc/20/31/82/393203182.db2.gz VTRWIVWOWLDKNE-STQMWFEESA-N -1 3 289.404 3.290 20 0 CGADHM CC[C@@H]1CC[C@H](C(=O)N2CC[C@@H](C)c3cccc([O-])c32)O1 ZINC000274410114 393285906 /nfs/dbraw/zinc/28/59/06/393285906.db2.gz VHJQUVOGNQDECB-LALPHHSUSA-N -1 3 289.375 3.190 20 0 CGADHM C[C@H](CNCc1cccc([O-])c1Cl)CC(F)F ZINC000647226964 393398727 /nfs/dbraw/zinc/39/87/27/393398727.db2.gz GZESPIHEKMNNMV-QMMMGPOBSA-N -1 3 263.715 3.427 20 0 CGADHM CC(C)(C)c1nc(CNC[C@@H](CC2CC2)C(=O)[O-])cs1 ZINC000649511595 393464783 /nfs/dbraw/zinc/46/47/83/393464783.db2.gz LASOTRASVRXDPW-LLVKDONJSA-N -1 3 296.436 3.031 20 0 CGADHM O=C([O-])[C@H](CNCc1ccc(Cl)cc1F)CC1CC1 ZINC000649512067 393464883 /nfs/dbraw/zinc/46/48/83/393464883.db2.gz YSWJGAOJFDMQTC-NSHDSACASA-N -1 3 285.746 3.070 20 0 CGADHM CC(C)(C)OC1CC(CC(=O)Nc2cc(F)ccc2[O-])C1 ZINC000488727889 393548640 /nfs/dbraw/zinc/54/86/40/393548640.db2.gz BORPULGEAUHGND-UHFFFAOYSA-N -1 3 295.354 3.454 20 0 CGADHM CC[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000488952232 393565128 /nfs/dbraw/zinc/56/51/28/393565128.db2.gz ZXFRWOJXWOFJKY-DTWKUNHWSA-N -1 3 293.791 3.192 20 0 CGADHM CCC1(CC)CCN(C(=O)c2ccc([O-])c(OC)c2)CC1 ZINC000443209137 393749772 /nfs/dbraw/zinc/74/97/72/393749772.db2.gz RJHIVXPGTJUFCI-UHFFFAOYSA-N -1 3 291.391 3.443 20 0 CGADHM Cc1ccc(C(=O)N2CCCc3cccc(O)c32)c([O-])c1C ZINC000436949561 393717956 /nfs/dbraw/zinc/71/79/56/393717956.db2.gz KYLURGVYWZEJMC-UHFFFAOYSA-N -1 3 297.354 3.308 20 0 CGADHM COc1ccc(/C=C\C(=O)Nc2ccc(C)cc2[O-])cc1O ZINC000492406576 393729037 /nfs/dbraw/zinc/72/90/37/393729037.db2.gz MTYNFTCBXIIOIH-YVMONPNESA-N -1 3 299.326 3.067 20 0 CGADHM Cc1ccc(C(=O)N2CCCC3(CCCC3)C2)c([O-])c1 ZINC000438679955 393729488 /nfs/dbraw/zinc/72/94/88/393729488.db2.gz NUKHYDZNVYSXQC-UHFFFAOYSA-N -1 3 273.376 3.497 20 0 CGADHM CCCCC(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000443565482 393764043 /nfs/dbraw/zinc/76/40/43/393764043.db2.gz HCYGFVNNGLBEGD-UHFFFAOYSA-N -1 3 277.242 3.420 20 0 CGADHM CC[C@]1(C)CN(C(=O)c2ccc(C(C)C)cc2[O-])CCO1 ZINC000443557803 393764194 /nfs/dbraw/zinc/76/41/94/393764194.db2.gz JWWIUQNJUOTBHG-QGZVFWFLSA-N -1 3 291.391 3.157 20 0 CGADHM CC(C)C[C@@H](C)[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000443746810 393772118 /nfs/dbraw/zinc/77/21/18/393772118.db2.gz LYOYXODMAZDQPR-SECBINFHSA-N -1 3 293.791 3.192 20 0 CGADHM CCc1ccc([O-])c(C(=O)N[C@@H]2CCc3ccccc32)c1 ZINC000500733475 393836598 /nfs/dbraw/zinc/83/65/98/393836598.db2.gz QTIHIGMEWWIAJM-MRXNPFEDSA-N -1 3 281.355 3.372 20 0 CGADHM CC(C)C(CNC(=O)NCc1ccc([O-])c(F)c1)C(C)C ZINC000446208848 393854227 /nfs/dbraw/zinc/85/42/27/393854227.db2.gz CAWKKYVGTOAUEM-UHFFFAOYSA-N -1 3 296.386 3.259 20 0 CGADHM FC(F)(F)c1csc(=NCCCC2CCOCC2)[n-]1 ZINC000450555291 394016848 /nfs/dbraw/zinc/01/68/48/394016848.db2.gz MNBZNCDFGAIDPH-UHFFFAOYSA-N -1 3 294.342 3.203 20 0 CGADHM CCCC1(CNC(=O)Cc2ccc([O-])c(F)c2)CCC1 ZINC000450099161 393977659 /nfs/dbraw/zinc/97/76/59/393977659.db2.gz CVLYHDCSIFLPMY-UHFFFAOYSA-N -1 3 279.355 3.160 20 0 CGADHM C[C@@H](NC(=O)CCCc1ccc([O-])c(F)c1)C(C)(F)F ZINC000452459562 394065256 /nfs/dbraw/zinc/06/52/56/394065256.db2.gz PLGCIVJXNRFZAU-SECBINFHSA-N -1 3 289.297 3.014 20 0 CGADHM CCN=c1[n-]c(C(=O)N2CCC[C@@]2(C)CC(C)C)cs1 ZINC000452515880 394075978 /nfs/dbraw/zinc/07/59/78/394075978.db2.gz VRKOUYSTKGKKBI-HNNXBMFYSA-N -1 3 295.452 3.038 20 0 CGADHM CCOc1cc(-c2noc([C@@H]3C[C@H]3CC)n2)ccc1[O-] ZINC000453158982 394191747 /nfs/dbraw/zinc/19/17/47/394191747.db2.gz CFKMSQVYUGMQHE-MWLCHTKSSA-N -1 3 274.320 3.354 20 0 CGADHM O=C(CCCc1ccc([O-])c(F)c1)NC[C@@H]1C[C@H]1C1CC1 ZINC000456870877 394291240 /nfs/dbraw/zinc/29/12/40/394291240.db2.gz PJVSDPBODFYCAK-KBPBESRZSA-N -1 3 291.366 3.016 20 0 CGADHM COc1cc(C(=O)N(C)Cc2ccc(C)c(C)c2)ccc1[O-] ZINC000456967422 394302767 /nfs/dbraw/zinc/30/27/67/394302767.db2.gz SYLRTHIYWFYYIF-UHFFFAOYSA-N -1 3 299.370 3.290 20 0 CGADHM CC[C@@]1(C(C)C)C[C@H]1NC(=O)Cc1ccc([O-])c(F)c1 ZINC000457232359 394334333 /nfs/dbraw/zinc/33/43/33/394334333.db2.gz IVLIIANMQAIQEQ-ZBFHGGJFSA-N -1 3 279.355 3.015 20 0 CGADHM CC(C)N(C(=O)Cc1ccc([O-])c(F)c1)C1CC(C)(C)C1 ZINC000457074136 394316966 /nfs/dbraw/zinc/31/69/66/394316966.db2.gz LGFJCJLPPGFBOV-UHFFFAOYSA-N -1 3 293.382 3.499 20 0 CGADHM CCC[C@@H]1SCCN1C(=O)c1cc(SC)ccc1[O-] ZINC000668808783 543064195 /nfs/dbraw/zinc/06/41/95/543064195.db2.gz TXJSPIREPSIBIK-ZDUSSCGKSA-N -1 3 297.445 3.429 20 0 CGADHM CC(=O)c1ccc(C(=O)N2CCCC[C@@H]2C(C)C)cc1[O-] ZINC000668864478 543074046 /nfs/dbraw/zinc/07/40/46/543074046.db2.gz HXCBESHTCGDLOE-OAHLLOKOSA-N -1 3 289.375 3.246 20 0 CGADHM CSc1ccncc1[N-]C(=O)c1occ2c1CCC2 ZINC000671764423 543187660 /nfs/dbraw/zinc/18/76/60/543187660.db2.gz DUPKDFOJWPUXPF-UHFFFAOYSA-N -1 3 274.345 3.138 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2cscc2Cl)n1 ZINC000672776476 543227680 /nfs/dbraw/zinc/22/76/80/543227680.db2.gz KVPTYNMMSQYCBQ-NSCUHMNNSA-N -1 3 252.726 3.376 20 0 CGADHM CCc1csc([N-]C(=O)c2c(C)noc2C(F)F)n1 ZINC000673659945 543250144 /nfs/dbraw/zinc/25/01/44/543250144.db2.gz NBEWNQUQEBEHRK-UHFFFAOYSA-N -1 3 287.291 3.192 20 0 CGADHM CC(C)c1ccc(C(=O)NC[C@@H](C)c2ccncc2)c([O-])c1 ZINC000674136965 543273366 /nfs/dbraw/zinc/27/33/66/543273366.db2.gz PEHZNHKJPDFYMA-CYBMUJFWSA-N -1 3 298.386 3.444 20 0 CGADHM O=C([O-])C[C@H]1CCCCN1CCOc1ccccc1Cl ZINC000038028091 397610475 /nfs/dbraw/zinc/61/04/75/397610475.db2.gz UCXCVMILEQBCHC-GFCCVEGCSA-N -1 3 297.782 3.048 20 0 CGADHM Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)c(F)c1 ZINC000045865936 397626309 /nfs/dbraw/zinc/62/63/09/397626309.db2.gz ZMOXQLIVTJUPKX-UHFFFAOYSA-N -1 3 297.326 3.382 20 0 CGADHM CCC1CCC(N(C)Cc2ccc(C(=O)[O-])cn2)CC1 ZINC000094762420 397642020 /nfs/dbraw/zinc/64/20/20/397642020.db2.gz OICWMZBJBBHHAB-UHFFFAOYSA-N -1 3 276.380 3.180 20 0 CGADHM C[C@@H](C(=O)[O-])C1(NCc2cc(Cl)sc2Cl)CC1 ZINC000649510005 397715901 /nfs/dbraw/zinc/71/59/01/397715901.db2.gz OQVYIKFAIBHPIN-LURJTMIESA-N -1 3 294.203 3.398 20 0 CGADHM CCC[C@@H](CC)S(=O)(=O)[N-]c1cc(F)cc(F)c1F ZINC000650203082 397800655 /nfs/dbraw/zinc/80/06/55/397800655.db2.gz IJKAKYNWTYFKEI-SECBINFHSA-N -1 3 295.326 3.424 20 0 CGADHM CC(C)[C@@H](C)CNc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000735701099 572738369 /nfs/dbraw/zinc/73/83/69/572738369.db2.gz JXXIVGCVSPVBBM-VIFPVBQESA-N -1 3 279.775 3.224 20 0 CGADHM CC(C)[C@@H](C)CNc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000735701099 572738372 /nfs/dbraw/zinc/73/83/72/572738372.db2.gz JXXIVGCVSPVBBM-VIFPVBQESA-N -1 3 279.775 3.224 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2coc3c2C(=O)CCC3)c1 ZINC000294878100 292165711 /nfs/dbraw/zinc/16/57/11/292165711.db2.gz PUGYFERGKOOGSL-UHFFFAOYSA-N -1 3 285.299 3.065 20 0 CGADHM CC(C)c1cc(C(=O)NCC[C@H](C)O)c([O-])c(C(C)C)c1 ZINC000677494569 543451063 /nfs/dbraw/zinc/45/10/63/543451063.db2.gz ZOZYOEOZQSQHNL-LBPRGKRZSA-N -1 3 293.407 3.140 20 0 CGADHM CC1(C)CN(C(=O)c2c([O-])cccc2O)c2ccccc21 ZINC000678344780 543516924 /nfs/dbraw/zinc/51/69/24/543516924.db2.gz VHOAWLXDZIJQTJ-UHFFFAOYSA-N -1 3 283.327 3.036 20 0 CGADHM CCOCc1nc(=O)c2c(C(C)C)csc2[n-]1 ZINC000361407870 286182354 /nfs/dbraw/zinc/18/23/54/286182354.db2.gz IBJGZUUJXCVTJM-UHFFFAOYSA-N -1 3 252.339 3.057 20 0 CGADHM CCc1ccc([O-])c(C(=O)NC2CCC(F)(F)CC2)c1 ZINC000535653770 288454055 /nfs/dbraw/zinc/45/40/55/288454055.db2.gz CENKAFLDSYAQQK-UHFFFAOYSA-N -1 3 283.318 3.262 20 0 CGADHM CCCC1CCC([N-]S(=O)(=O)c2ccccc2F)CC1 ZINC000048772094 286910675 /nfs/dbraw/zinc/91/06/75/286910675.db2.gz JXGRUOPLADFMIT-UHFFFAOYSA-N -1 3 299.411 3.463 20 0 CGADHM Cc1ccc(NC(=O)c2ccc(F)c(C)c2)c([O-])c1 ZINC000063057432 286961630 /nfs/dbraw/zinc/96/16/30/286961630.db2.gz LTFURGVXNQCALA-UHFFFAOYSA-N -1 3 259.280 3.400 20 0 CGADHM Cc1nc(C2CCCC2)sc1C(=O)[N-]c1nncs1 ZINC000079631948 165147258 /nfs/dbraw/zinc/14/72/58/165147258.db2.gz ZIJGMPYNTCWRIZ-UHFFFAOYSA-N -1 3 294.405 3.213 20 0 CGADHM CCc1cnc([N-]C(=O)c2cc(-c3ccco3)on2)s1 ZINC000081232147 165161378 /nfs/dbraw/zinc/16/13/78/165161378.db2.gz YPGSCGDCHLWINB-UHFFFAOYSA-N -1 3 289.316 3.206 20 0 CGADHM CCCCN(Cc1nc(C)ccc1[O-])CC(F)(F)F ZINC000091950932 165277561 /nfs/dbraw/zinc/27/75/61/165277561.db2.gz JYGVOYYISDFYCQ-UHFFFAOYSA-N -1 3 276.302 3.260 20 0 CGADHM O=C(Nc1ccc([O-])cc1F)[C@@H]1Cc2ccccc2S1 ZINC000092231167 165286815 /nfs/dbraw/zinc/28/68/15/165286815.db2.gz ATNRDFBBRYREBI-AWEZNQCLSA-N -1 3 289.331 3.187 20 0 CGADHM COc1ccc([O-])c(-c2nc(-c3cccs3)no2)c1 ZINC000109037061 287127176 /nfs/dbraw/zinc/12/71/76/287127176.db2.gz HZZQVHWOEZYCQV-UHFFFAOYSA-N -1 3 274.301 3.179 20 0 CGADHM O=C(N[C@H]1CCC[C@@H]1c1ccccc1)c1ccc(O)cc1[O-] ZINC000110571147 287131715 /nfs/dbraw/zinc/13/17/15/287131715.db2.gz RDONODFMDMQIFP-ZBFHGGJFSA-N -1 3 297.354 3.164 20 0 CGADHM COc1cccc(-c2nc(-c3ccc(C)cc3)no2)c1[O-] ZINC000111687083 287135898 /nfs/dbraw/zinc/13/58/98/287135898.db2.gz GWLUKGXWRMIPHQ-UHFFFAOYSA-N -1 3 282.299 3.426 20 0 CGADHM O=C(/C=C/c1ccnc(Cl)c1)Nc1ccc([O-])cc1F ZINC000119566640 287171260 /nfs/dbraw/zinc/17/12/60/287171260.db2.gz CVURRQMWPUPVAM-DAFODLJHSA-N -1 3 292.697 3.232 20 0 CGADHM Cc1ccc(C)c(OCCC(=O)Nc2ccccc2[O-])c1 ZINC000120446006 287182327 /nfs/dbraw/zinc/18/23/27/287182327.db2.gz JNFCNQPOQLCHLZ-UHFFFAOYSA-N -1 3 285.343 3.417 20 0 CGADHM Cc1ccc(NC(=O)[C@@H](C)COc2ccccc2)c([O-])c1 ZINC000121347342 287197157 /nfs/dbraw/zinc/19/71/57/287197157.db2.gz WDXKRXREAXDJNG-ZDUSSCGKSA-N -1 3 285.343 3.354 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)c(C)c1 ZINC000007405419 170283407 /nfs/dbraw/zinc/28/34/07/170283407.db2.gz XRPSOKZNNATCHM-UHFFFAOYSA-N -1 3 297.326 3.382 20 0 CGADHM Cc1cccc(C(=O)Nc2ccc(N(C)C)cc2)c1[O-] ZINC000035160261 172018795 /nfs/dbraw/zinc/01/87/95/172018795.db2.gz ZOUCSLQTANVMKX-UHFFFAOYSA-N -1 3 270.332 3.019 20 0 CGADHM COc1ccc(C(=O)N2CC[C@H]3CCCC[C@@H]3C2)c([O-])c1 ZINC000035175094 172028392 /nfs/dbraw/zinc/02/83/92/172028392.db2.gz JXYYNWVQMHTWQO-CHWSQXEVSA-N -1 3 289.375 3.053 20 0 CGADHM COc1ccc([C@@H](C)N(C)C(=O)c2ccccc2[O-])cc1 ZINC000127101489 287280539 /nfs/dbraw/zinc/28/05/39/287280539.db2.gz OLTCJEBFJFABSB-GFCCVEGCSA-N -1 3 285.343 3.234 20 0 CGADHM O=C(Nc1cccc([O-])c1F)c1ccc(F)cc1F ZINC000128707732 287316859 /nfs/dbraw/zinc/31/68/59/287316859.db2.gz TWWTUEMGHHYCPU-UHFFFAOYSA-N -1 3 267.206 3.062 20 0 CGADHM Cc1ccc(C[C@H](C)N(C)C(=O)c2ccccc2[O-])cc1 ZINC000129019817 287322857 /nfs/dbraw/zinc/32/28/57/287322857.db2.gz OIMJRNFWXYXHDN-AWEZNQCLSA-N -1 3 283.371 3.404 20 0 CGADHM Cc1cc(N2CCC(C)(C(=O)[O-])CC2)c2ccccc2n1 ZINC000062843725 416486644 /nfs/dbraw/zinc/48/66/44/416486644.db2.gz VMIKJVWWGSLOLI-UHFFFAOYSA-N -1 3 284.359 3.234 20 0 CGADHM CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(C)ccc1F ZINC000048465167 416452055 /nfs/dbraw/zinc/45/20/55/416452055.db2.gz VPJYUYGZZDOHIR-JSGCOSHPSA-N -1 3 299.411 3.381 20 0 CGADHM Cc1oc(CN2CCC3(C2)CCCCC3)cc1C(=O)[O-] ZINC000312713555 416534721 /nfs/dbraw/zinc/53/47/21/416534721.db2.gz TXVAFSGIEGRCMS-UHFFFAOYSA-N -1 3 277.364 3.442 20 0 CGADHM COc1ccc(F)cc1C(=O)Nc1ccc(C)cc1[O-] ZINC000073439571 416494773 /nfs/dbraw/zinc/49/47/73/416494773.db2.gz VXNKHYBXZHCRJE-UHFFFAOYSA-N -1 3 275.279 3.101 20 0 CGADHM CCc1cccc(CC(=O)Nc2cccc([O-])c2F)c1 ZINC000129777723 287338801 /nfs/dbraw/zinc/33/88/01/287338801.db2.gz GLSDCVKWJVPFKT-UHFFFAOYSA-N -1 3 273.307 3.275 20 0 CGADHM COc1cccc(C(=O)N2C[C@H](C)c3ccccc32)c1[O-] ZINC000129985246 287342585 /nfs/dbraw/zinc/34/25/85/287342585.db2.gz IVXLANDWPDKUBT-NSHDSACASA-N -1 3 283.327 3.165 20 0 CGADHM O=S(=O)(CCC1CC1)[N-]c1cc(Cl)ccc1F ZINC000129959686 287342254 /nfs/dbraw/zinc/34/22/54/287342254.db2.gz KQLIMHJKVNGFMU-UHFFFAOYSA-N -1 3 277.748 3.021 20 0 CGADHM O=c1[nH]c([C@H]2CCc3ccccc3C2)nc2ccc([O-])cc12 ZINC000679270221 543610953 /nfs/dbraw/zinc/61/09/53/543610953.db2.gz STHRXFTVPAVBBF-ZDUSSCGKSA-N -1 3 292.338 3.314 20 0 CGADHM Cc1cc(C(=O)NCCCCc2ccccc2)ccc1[O-] ZINC000679406410 543636425 /nfs/dbraw/zinc/63/64/25/543636425.db2.gz QBTNGPWAOYMUEZ-UHFFFAOYSA-N -1 3 283.371 3.453 20 0 CGADHM C[C@@H](C(=O)N1CCCc2cccc([O-])c21)C1CCCC1 ZINC000679319418 543616751 /nfs/dbraw/zinc/61/67/51/543616751.db2.gz YZHOXJIISSDTMC-GFCCVEGCSA-N -1 3 273.376 3.498 20 0 CGADHM C[C@@H]1CCN(C(=O)c2ccc3c(c2[O-])CCCC3)C[C@@H]1F ZINC000680456786 543710703 /nfs/dbraw/zinc/71/07/03/543710703.db2.gz GSDYLAUGQJHKMW-ABAIWWIYSA-N -1 3 291.366 3.091 20 0 CGADHM C[C@@H]1CCN(C(=O)CCn2cccc2)c2c([O-])cccc21 ZINC000681088692 543763557 /nfs/dbraw/zinc/76/35/57/543763557.db2.gz IOKYDAZVYUCFND-CYBMUJFWSA-N -1 3 284.359 3.124 20 0 CGADHM Cc1ccc(C(=O)N2CCC[C@H](c3ccncc3)C2)c([O-])c1 ZINC000334895757 225355525 /nfs/dbraw/zinc/35/55/25/225355525.db2.gz ZBIMXIPHCGEFSC-HNNXBMFYSA-N -1 3 296.370 3.115 20 0 CGADHM CCc1cccc(C(=O)N(CC)C[C@H](C)CC)c1[O-] ZINC000131148745 287372053 /nfs/dbraw/zinc/37/20/53/287372053.db2.gz SCWNRKTUPRTRIF-GFCCVEGCSA-N -1 3 263.381 3.463 20 0 CGADHM Cc1nc2c(cccc2C(=O)Nc2cccc([O-])c2F)o1 ZINC000684293698 543980001 /nfs/dbraw/zinc/98/00/01/543980001.db2.gz MFIYDZMCFFVNMU-UHFFFAOYSA-N -1 3 286.262 3.233 20 0 CGADHM C[C@H]1C[C@@H]1CC(=O)Nc1ccc(Br)cc1[O-] ZINC000685610296 544088290 /nfs/dbraw/zinc/08/82/90/544088290.db2.gz JFWZDCCETKESPA-JGVFFNPUSA-N -1 3 284.153 3.139 20 0 CGADHM CCc1cccc(C(=O)N2CCC(F)(F)[C@H](C)C2)c1[O-] ZINC000685888802 544105341 /nfs/dbraw/zinc/10/53/41/544105341.db2.gz PHEQZDCJURPGII-SNVBAGLBSA-N -1 3 283.318 3.072 20 0 CGADHM CC(=O)CCC(C)(C)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000135989718 287477831 /nfs/dbraw/zinc/47/78/31/287477831.db2.gz ADPOIFBDJLLHOX-UHFFFAOYSA-N -1 3 283.755 3.380 20 0 CGADHM Cc1ccnc(CN(CCCC(=O)[O-])Cc2ccccc2)c1 ZINC000652494329 418974097 /nfs/dbraw/zinc/97/40/97/418974097.db2.gz DVYIQMOIXHAEBN-UHFFFAOYSA-N -1 3 298.386 3.257 20 0 CGADHM O=C([O-])c1ccc(CN2CCC(c3ccccc3)CC2)nc1 ZINC000652385380 418959815 /nfs/dbraw/zinc/95/98/15/418959815.db2.gz IMUCKEZZFPUABW-UHFFFAOYSA-N -1 3 296.370 3.159 20 0 CGADHM CCc1oc(C(=O)[O-])cc1CN1CCC[C@@H](C)CC1 ZINC000652403000 418962669 /nfs/dbraw/zinc/96/26/69/418962669.db2.gz SSYZOPGPUXTHTH-LLVKDONJSA-N -1 3 265.353 3.162 20 0 CGADHM COC[C@@H](CC(C)(C)C)NC(=O)c1cc([O-])ccc1Cl ZINC000655302907 419037181 /nfs/dbraw/zinc/03/71/81/419037181.db2.gz BPKIVSYSEYXOJV-SNVBAGLBSA-N -1 3 299.798 3.227 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CCC23CCCC3)c1 ZINC000652571919 418982005 /nfs/dbraw/zinc/98/20/05/418982005.db2.gz PQWADXZJYJREDU-UHFFFAOYSA-N -1 3 259.349 3.113 20 0 CGADHM CC[C@H](CC(F)F)CN1CCc2c(cccc2C(=O)[O-])C1 ZINC000659792330 418990903 /nfs/dbraw/zinc/99/09/03/418990903.db2.gz ZXJFLBQLJTYWNY-LLVKDONJSA-N -1 3 297.345 3.424 20 0 CGADHM CC/C=C\CCN1CCc2c(cccc2C(=O)[O-])C1 ZINC000659792326 418991180 /nfs/dbraw/zinc/99/11/80/418991180.db2.gz ZQFXFPXVNHBDPJ-ARJAWSKDSA-N -1 3 259.349 3.099 20 0 CGADHM CCc1cccc(C(=O)N2C[C@@H](C3CC3)[C@@H]2C2CC2)c1[O-] ZINC000653926848 419114702 /nfs/dbraw/zinc/11/47/02/419114702.db2.gz IDXFBLILALRMSL-HOTGVXAUSA-N -1 3 285.387 3.215 20 0 CGADHM CC(C)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)s1)C1CC1 ZINC000660045461 419067601 /nfs/dbraw/zinc/06/76/01/419067601.db2.gz BJUCCPSUORORTF-LLVKDONJSA-N -1 3 293.841 3.114 20 0 CGADHM Cc1ccc(NC(=O)[C@H]2COC[C@H]2c2ccccc2)c([O-])c1 ZINC000665202447 419080088 /nfs/dbraw/zinc/08/00/88/419080088.db2.gz DCFFQEYZPZNPAX-GJZGRUSLSA-N -1 3 297.354 3.069 20 0 CGADHM COc1cc(C)c(C)cc1NCc1cc(=O)[n-]c(C2CC2)n1 ZINC000656660217 419195083 /nfs/dbraw/zinc/19/50/83/419195083.db2.gz UBAGWLIREFRACY-UHFFFAOYSA-N -1 3 299.374 3.297 20 0 CGADHM CSc1ccc([O-])c(C(=O)N(CC(C)C)C2CC2)c1 ZINC000666027911 419181725 /nfs/dbraw/zinc/18/17/25/419181725.db2.gz NYRMKCZVVFMYOQ-UHFFFAOYSA-N -1 3 279.405 3.375 20 0 CGADHM CC(C)C1CN(Cc2cccc([O-])c2Br)C1 ZINC000656582349 419185953 /nfs/dbraw/zinc/18/59/53/419185953.db2.gz OJKGSRZLHNIOJB-UHFFFAOYSA-N -1 3 284.197 3.243 20 0 CGADHM Cc1cc(=O)[n-]c(C(C)(C)NCCCCC(F)(F)F)n1 ZINC000660752644 419190141 /nfs/dbraw/zinc/19/01/41/419190141.db2.gz XZDUWAQHNONRIK-UHFFFAOYSA-N -1 3 291.317 3.048 20 0 CGADHM O=C([O-])c1csc(CN2CC[C@H](C3CCCCC3)C2)n1 ZINC000656761331 419212138 /nfs/dbraw/zinc/21/21/38/419212138.db2.gz OQYZJOQMZGZSBQ-LBPRGKRZSA-N -1 3 294.420 3.244 20 0 CGADHM Cc1sc(C(=O)[O-])cc1CN1CCC[C@H](CCF)C1 ZINC000656763830 419212238 /nfs/dbraw/zinc/21/22/38/419212238.db2.gz QZMNNOAYKHYRRV-LLVKDONJSA-N -1 3 285.384 3.326 20 0 CGADHM CC[C@@](C)([N-]S(=O)(=O)c1ccc(Cl)s1)C1CC1 ZINC000657177051 419229123 /nfs/dbraw/zinc/22/91/23/419229123.db2.gz GVIQBXOBBXUANZ-LLVKDONJSA-N -1 3 293.841 3.259 20 0 CGADHM Cc1cn(C)nc1NCc1cc([O-])cc(C(F)(F)F)c1 ZINC000657812269 419363683 /nfs/dbraw/zinc/36/36/83/419363683.db2.gz NUCDTEADPNKQLP-UHFFFAOYSA-N -1 3 285.269 3.065 20 0 CGADHM CCOCc1nnc([N-]Cc2cc3ccc(C)cc3[nH]2)o1 ZINC000663257778 419533370 /nfs/dbraw/zinc/53/33/70/419533370.db2.gz UHFKCAAZTFAVCA-UHFFFAOYSA-N -1 3 286.335 3.008 20 0 CGADHM COc1ccccc1CCCOc1ccc2c([O-])coc2c1 ZINC000664135529 419836274 /nfs/dbraw/zinc/83/62/74/419836274.db2.gz MPQAKOIHOBYXGI-UHFFFAOYSA-N -1 3 298.338 3.282 20 0 CGADHM C[C@@H]1CCN(C(=O)c2cccnc2F)c2c([O-])cccc21 ZINC000279327760 287573719 /nfs/dbraw/zinc/57/37/19/287573719.db2.gz GXEBYUHCHRCBBV-SNVBAGLBSA-N -1 3 286.306 3.080 20 0 CGADHM Cc1noc(C2CC2)c1[N-]C(=O)c1ccoc1Cl ZINC000192354831 287599998 /nfs/dbraw/zinc/59/99/98/287599998.db2.gz UIKUDUQLLRUVQC-UHFFFAOYSA-N -1 3 266.684 3.359 20 0 CGADHM CSc1ccccc1NC(=O)/C=C/c1cncc([O-])c1 ZINC000179406168 260046504 /nfs/dbraw/zinc/04/65/04/260046504.db2.gz ADADUBZKFFOVAM-VOTSOKGWSA-N -1 3 286.356 3.161 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)/C=C/c2cccnc2)c1[O-] ZINC000179803651 260073381 /nfs/dbraw/zinc/07/33/81/260073381.db2.gz MIMRTAOTDXFYMY-SNAWJCMRSA-N -1 3 288.734 3.401 20 0 CGADHM C[C@@H](CC(=O)[O-])NCc1ccc(F)c(Cl)c1Cl ZINC000414644502 263020070 /nfs/dbraw/zinc/02/00/70/263020070.db2.gz ZQRWIBLLVQLUMV-LURJTMIESA-N -1 3 280.126 3.085 20 0 CGADHM Cc1ccc(C(=O)Nc2cccc(F)c2C)c([O-])c1 ZINC000043322355 270034189 /nfs/dbraw/zinc/03/41/89/270034189.db2.gz YZYGFXVGWRAUHO-UHFFFAOYSA-N -1 3 259.280 3.400 20 0 CGADHM COc1ccc(C)cc1CN1CCC[C@@H](CCC(=O)[O-])C1 ZINC000043585243 270034547 /nfs/dbraw/zinc/03/45/47/270034547.db2.gz UXUCFZKKNFBJHR-AWEZNQCLSA-N -1 3 291.391 3.080 20 0 CGADHM COc1ccc(C(=O)N[C@H](C)c2cc(C)oc2C)c([O-])c1 ZINC000044731486 270037861 /nfs/dbraw/zinc/03/78/61/270037861.db2.gz JULGDSHSUSQGTG-SNVBAGLBSA-N -1 3 289.331 3.102 20 0 CGADHM Cc1ccc(OCC(=O)Nc2c(C)cccc2[O-])c(C)c1 ZINC000183071002 270054954 /nfs/dbraw/zinc/05/49/54/270054954.db2.gz QAPQUDBDKQMXLD-UHFFFAOYSA-N -1 3 285.343 3.335 20 0 CGADHM Cc1cccnc1/C=C/C(=O)Nc1c(C)cccc1[O-] ZINC000184300272 270057913 /nfs/dbraw/zinc/05/79/13/270057913.db2.gz CWVDWXGWQTXVHM-CMDGGOBGSA-N -1 3 268.316 3.056 20 0 CGADHM CC(=O)Nc1cccc(NCc2cc([O-])cc(F)c2)c1C ZINC000185476997 270062928 /nfs/dbraw/zinc/06/29/28/270062928.db2.gz SEELRVFDHBCZGN-UHFFFAOYSA-N -1 3 288.322 3.410 20 0 CGADHM CC(C)[C@@]1(C)C[C@H]1C(=O)N1CCCc2cccc([O-])c21 ZINC000186625571 270066611 /nfs/dbraw/zinc/06/66/11/270066611.db2.gz GEFSEOHQYFUMEV-SUMWQHHRSA-N -1 3 273.376 3.354 20 0 CGADHM CS[C@@H]1CCC[C@H](NC(=O)c2ccc(C)cc2[O-])C1 ZINC000227355155 270086960 /nfs/dbraw/zinc/08/69/60/270086960.db2.gz MRVNMBVRPUKEMR-NWDGAFQWSA-N -1 3 279.405 3.105 20 0 CGADHM C[C@@H]1CCN(Cc2cccc(Cl)c2)[C@@H](C(=O)[O-])C1 ZINC000229294988 270088251 /nfs/dbraw/zinc/08/82/51/270088251.db2.gz LQACIRDIXAYGFQ-ZWNOBZJWSA-N -1 3 267.756 3.025 20 0 CGADHM C[C@@H](CCNC(=O)c1cccc2nn[n-]c21)CC(C)(C)C ZINC000527199302 270126752 /nfs/dbraw/zinc/12/67/52/270126752.db2.gz DTTLXSSEWFHPTK-NSHDSACASA-N -1 3 288.395 3.150 20 0 CGADHM C[C@@H](CCNC(=O)c1cccc2[n-]nnc21)CC(C)(C)C ZINC000527199302 270126753 /nfs/dbraw/zinc/12/67/53/270126753.db2.gz DTTLXSSEWFHPTK-NSHDSACASA-N -1 3 288.395 3.150 20 0 CGADHM C[C@@H](CCNC(=O)c1cccc2n[n-]nc21)CC(C)(C)C ZINC000527199302 270126754 /nfs/dbraw/zinc/12/67/54/270126754.db2.gz DTTLXSSEWFHPTK-NSHDSACASA-N -1 3 288.395 3.150 20 0 CGADHM CCC[C@@H](OCC)c1nc(-c2ccc([O-])cc2)no1 ZINC000528153664 270155997 /nfs/dbraw/zinc/15/59/97/270155997.db2.gz BZQQRXWSGMPYMD-GFCCVEGCSA-N -1 3 262.309 3.320 20 0 CGADHM O=C(NCc1ccc([O-])c(F)c1)[C@@H]1C[C@H]1c1ccsc1 ZINC000528864807 270174771 /nfs/dbraw/zinc/17/47/71/270174771.db2.gz RZCFPTFXSYSDDM-NWDGAFQWSA-N -1 3 291.347 3.013 20 0 CGADHM Cc1ccc([O-])c(C(=O)N[C@H](c2ccccn2)C2CCC2)c1 ZINC000529825846 270189343 /nfs/dbraw/zinc/18/93/43/270189343.db2.gz MVVOLWWJDLNXBN-KRWDZBQOSA-N -1 3 296.370 3.367 20 0 CGADHM CCc1ccccc1CN1CCc2occc2[C@@H]1C(=O)[O-] ZINC000530166208 270195396 /nfs/dbraw/zinc/19/53/96/270195396.db2.gz MAJIZQYYSZTHJG-MRXNPFEDSA-N -1 3 285.343 3.026 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)[C@@]23C[C@@H]2CCC3)c1-c1ccc(F)cc1 ZINC000530277801 270198316 /nfs/dbraw/zinc/19/83/16/270198316.db2.gz YAFXBBJKAMFWHT-SJCJKPOMSA-N -1 3 299.349 3.075 20 0 CGADHM CCc1cccc(C(=O)N(C)Cc2cccs2)c1[O-] ZINC000530879172 270203183 /nfs/dbraw/zinc/20/31/83/270203183.db2.gz OGWGIBVSUPHXQH-UHFFFAOYSA-N -1 3 275.373 3.288 20 0 CGADHM CCc1cccc(C(=O)N2C[C@H](C)C[C@H](C)C2)c1[O-] ZINC000531357229 270205993 /nfs/dbraw/zinc/20/59/93/270205993.db2.gz ZUKMOCCDVCNTTD-TXEJJXNPSA-N -1 3 261.365 3.073 20 0 CGADHM O=C(/C=C\c1ccnc(Cl)c1)Nc1cc(F)ccc1[O-] ZINC000255390348 287865540 /nfs/dbraw/zinc/86/55/40/287865540.db2.gz HSEBZWXFBVLRBB-RJRFIUFISA-N -1 3 292.697 3.232 20 0 CGADHM CC(C)N(Cc1ccccc1)C(=O)/C=C\c1cncc([O-])c1 ZINC000255767601 287879167 /nfs/dbraw/zinc/87/91/67/287879167.db2.gz CQSQLKSYKAUVSG-HJWRWDBZSA-N -1 3 296.370 3.238 20 0 CGADHM CCC[C@H]1CCCCN1C(=O)c1c[n-]c2ccccc2c1=O ZINC000186987729 276288507 /nfs/dbraw/zinc/28/85/07/276288507.db2.gz DSGANMXQPASDRN-ZDUSSCGKSA-N -1 3 298.386 3.323 20 0 CGADHM C[C@@H]1C[C@H](C)[C@H](C(=O)N2CC[C@H](C)c3cccc([O-])c32)O1 ZINC000282778280 278008706 /nfs/dbraw/zinc/00/87/06/278008706.db2.gz QBKVFKPMZAUFDM-PVTKRXDGSA-N -1 3 289.375 3.046 20 0 CGADHM CC(F)(F)C(=O)[N-][C@H]1CCCc2c(F)cc(F)cc21 ZINC000295440956 278158502 /nfs/dbraw/zinc/15/85/02/278158502.db2.gz FNIHDXUCQTVCBO-NSHDSACASA-N -1 3 275.245 3.114 20 0 CGADHM C=Cc1ccc(CCNC(=O)c2ccc([O-])c(C)c2)cc1 ZINC000428285671 288065177 /nfs/dbraw/zinc/06/51/77/288065177.db2.gz OVYNOLWLGCNOCU-UHFFFAOYSA-N -1 3 281.355 3.316 20 0 CGADHM O=c1cc(CSc2ccc(O)cc2)nc(C2CC2)[n-]1 ZINC000516738135 288129521 /nfs/dbraw/zinc/12/95/21/288129521.db2.gz LTEDTDVCLXGDSE-UHFFFAOYSA-N -1 3 274.345 3.058 20 0 CGADHM CCCCC[C@@H]1CCCN1C(=O)c1cccc2[n-]nnc21 ZINC000526118937 288149825 /nfs/dbraw/zinc/14/98/25/288149825.db2.gz WAGHAZFPEVAEMQ-GFCCVEGCSA-N -1 3 286.379 3.143 20 0 CGADHM CCCCC[C@@H]1CCCN1C(=O)c1cccc2nn[n-]c21 ZINC000526118937 288149829 /nfs/dbraw/zinc/14/98/29/288149829.db2.gz WAGHAZFPEVAEMQ-GFCCVEGCSA-N -1 3 286.379 3.143 20 0 CGADHM CCCCC[C@@H]1CCCN1C(=O)c1cccc2n[n-]nc21 ZINC000526118937 288149832 /nfs/dbraw/zinc/14/98/32/288149832.db2.gz WAGHAZFPEVAEMQ-GFCCVEGCSA-N -1 3 286.379 3.143 20 0 CGADHM CCC(CC)N(C(=O)c1ccc([O-])c(OC)c1)C1CC1 ZINC000526942702 288152448 /nfs/dbraw/zinc/15/24/48/288152448.db2.gz YCTDJKQLGVHGDT-UHFFFAOYSA-N -1 3 277.364 3.194 20 0 CGADHM C[C@H]1CCN(C(=O)C2CCSCC2)c2c([O-])cccc21 ZINC000274422999 279697923 /nfs/dbraw/zinc/69/79/23/279697923.db2.gz YMIOSKOTSCAEFG-NSHDSACASA-N -1 3 291.416 3.376 20 0 CGADHM O=C(c1ccc2c(c1)COC2)N1CCCc2cccc([O-])c21 ZINC000315554973 280195851 /nfs/dbraw/zinc/19/58/51/280195851.db2.gz NJWLAMOKTFHBFV-UHFFFAOYSA-N -1 3 295.338 3.015 20 0 CGADHM C[C@@H]1CN(Cc2cc([O-])cc(C(F)(F)F)c2)C[C@@H](C)O1 ZINC000356090615 288210801 /nfs/dbraw/zinc/21/08/01/288210801.db2.gz RQQNABFIEHUZMJ-NXEZZACHSA-N -1 3 289.297 3.020 20 0 CGADHM O=C(Nc1ncccc1[O-])[C@H]1CC[C@H]1c1ccc(F)cc1 ZINC000529008630 288228950 /nfs/dbraw/zinc/22/89/50/288228950.db2.gz LKYNMSWVHUWFHP-STQMWFEESA-N -1 3 286.306 3.059 20 0 CGADHM O=C([N-]OCCC1CC1)[C@H]1CC[C@H]1c1ccc(F)cc1 ZINC000529424650 288245979 /nfs/dbraw/zinc/24/59/79/288245979.db2.gz JVRUIAXKDOVGTP-GJZGRUSLSA-N -1 3 277.339 3.167 20 0 CGADHM CC[C@H]1CCC[C@@H]1C(=O)N1CCCc2cccc([O-])c21 ZINC000450510344 281083773 /nfs/dbraw/zinc/08/37/73/281083773.db2.gz GJNLNEHROBOGGO-JSGCOSHPSA-N -1 3 273.376 3.498 20 0 CGADHM O=C(Nc1ccc(Br)cc1[O-])[C@H]1C[C@H]1C1CC1 ZINC000530954232 288320274 /nfs/dbraw/zinc/32/02/74/288320274.db2.gz NIHCPYSRRPOUIL-UWVGGRQHSA-N -1 3 296.164 3.139 20 0 CGADHM c1cc2ncnc([N-]c3nc4c(s3)CCCCC4)c2cn1 ZINC000533565834 288387918 /nfs/dbraw/zinc/38/79/18/288387918.db2.gz XFDGLKYWEUSWFY-UHFFFAOYSA-N -1 3 297.387 3.494 20 0 CGADHM Cc1cccc([O-])c1NC(=O)c1cccc2c1ccn2C ZINC000538715834 288583515 /nfs/dbraw/zinc/58/35/15/288583515.db2.gz HCNIOHUXQACNDK-UHFFFAOYSA-N -1 3 280.327 3.445 20 0 CGADHM Cc1ncc(CN[C@H](C)c2cccc(C3CC3)c2)c(=O)[n-]1 ZINC000550785461 289084048 /nfs/dbraw/zinc/08/40/48/289084048.db2.gz UPDKXXOFSDZRKZ-LLVKDONJSA-N -1 3 283.375 3.219 20 0 CGADHM C[C@@H]1CC[C@H](CCC(=O)Nc2c([O-])cccc2Cl)O1 ZINC000552434170 289188954 /nfs/dbraw/zinc/18/89/54/289188954.db2.gz FAJSKMFTIZPZOF-NXEZZACHSA-N -1 3 283.755 3.332 20 0 CGADHM COc1ccc(CC(=O)Nc2c([O-])cccc2Cl)cc1 ZINC000552780039 289198302 /nfs/dbraw/zinc/19/83/02/289198302.db2.gz SUMRLMNJCUHOBK-UHFFFAOYSA-N -1 3 291.734 3.235 20 0 CGADHM CC(C)c1ccc(Cl)c(S(=O)(=O)[N-]CC(F)F)c1 ZINC000556377157 289388453 /nfs/dbraw/zinc/38/84/53/289388453.db2.gz VAULFXWXFZZFNM-UHFFFAOYSA-N -1 3 297.754 3.007 20 0 CGADHM O=C(N=c1cc2ccccn2[n-]1)NCCC1=CCCCCC1 ZINC000558464111 289497929 /nfs/dbraw/zinc/49/79/29/289497929.db2.gz HICKGCQZMWCPCK-UHFFFAOYSA-N -1 3 298.390 3.158 20 0 CGADHM Cc1nc([N-]C(=O)c2coc(C3CCCC3)n2)cs1 ZINC000558986502 289531210 /nfs/dbraw/zinc/53/12/10/289531210.db2.gz GCQLXAJOMQVZCX-UHFFFAOYSA-N -1 3 277.349 3.349 20 0 CGADHM CCc1coc([N-]C(=O)c2ncoc2-c2ccc(C)cc2)n1 ZINC000559317301 289542673 /nfs/dbraw/zinc/54/26/73/289542673.db2.gz IZKXBNXIFRKGJB-UHFFFAOYSA-N -1 3 297.314 3.453 20 0 CGADHM O=C(Nc1c([O-])cccc1Cl)c1cccc2c1OCO2 ZINC000560820580 289617069 /nfs/dbraw/zinc/61/70/69/289617069.db2.gz YVZUMBZQZJLYLW-UHFFFAOYSA-N -1 3 291.690 3.027 20 0 CGADHM Cc1sc2[n-]c(-c3cncs3)nc(=O)c2c1C ZINC000426090065 294079714 /nfs/dbraw/zinc/07/97/14/294079714.db2.gz QLOGMVNGEIYCLS-UHFFFAOYSA-N -1 3 263.347 3.137 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCC[C@H]2c2cccs2)n1 ZINC000246943359 301372612 /nfs/dbraw/zinc/37/26/12/301372612.db2.gz CAJYIYDWZKOKOO-NEPJUHHUSA-N -1 3 289.404 3.450 20 0 CGADHM Cc1ccc(C(=O)N2CC3(CCC3)C[C@H]2C)c([O-])c1 ZINC000372914372 301496642 /nfs/dbraw/zinc/49/66/42/301496642.db2.gz PWMMSCQYVIKOMB-GFCCVEGCSA-N -1 3 259.349 3.105 20 0 CGADHM O=C(N[C@@H]1C=CCCC1)c1cc([O-])ccc1C(F)(F)F ZINC000189270003 327769067 /nfs/dbraw/zinc/76/90/67/327769067.db2.gz FWHGPSHTGLPOLN-SECBINFHSA-N -1 3 285.265 3.250 20 0 CGADHM COc1ccc(CC(=O)Nc2ccc(Cl)cc2[O-])cc1 ZINC000153584558 321722772 /nfs/dbraw/zinc/72/27/72/321722772.db2.gz VZGBYJQVDHORNX-UHFFFAOYSA-N -1 3 291.734 3.235 20 0 CGADHM CCc1cccc(C(=O)NC[C@@H]2CCC(F)(F)C2)c1[O-] ZINC000564280245 322024964 /nfs/dbraw/zinc/02/49/64/322024964.db2.gz ORXBJZCYQIKUDV-SNVBAGLBSA-N -1 3 283.318 3.120 20 0 CGADHM [O-]c1cccc(/C=C/c2nc([C@H]3CC34CC4)no2)c1 ZINC000564554811 322034121 /nfs/dbraw/zinc/03/41/21/322034121.db2.gz QGGYNIXJEKMYEA-ZYOFXKKJSA-N -1 3 254.289 3.213 20 0 CGADHM CC[C@H](c1ccc(F)cc1F)N1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000564966555 322051843 /nfs/dbraw/zinc/05/18/43/322051843.db2.gz NUPAVFGFQKDQSM-VZJVUDMVSA-N -1 3 297.345 3.459 20 0 CGADHM CCC(C)(C)[C@@H](NCc1ccsc1Cl)C(=O)[O-] ZINC000564981773 322052326 /nfs/dbraw/zinc/05/23/26/322052326.db2.gz JIRKDLVBMCLDLQ-VIFPVBQESA-N -1 3 275.801 3.381 20 0 CGADHM CCCC[C@H](C(=O)[O-])N(C)Cc1ccc(C)s1 ZINC000565958066 322098588 /nfs/dbraw/zinc/09/85/88/322098588.db2.gz WVVBABLEAIGXAM-GFCCVEGCSA-N -1 3 255.383 3.132 20 0 CGADHM CCS[C@H]1CCCCN(Cc2cc(C(=O)[O-])co2)C1 ZINC000566357894 322117742 /nfs/dbraw/zinc/11/77/42/322117742.db2.gz AHEBPUQKNDROHW-ZDUSSCGKSA-N -1 3 283.393 3.085 20 0 CGADHM CCN(Cc1occc1C(=O)[O-])Cc1ccccc1C ZINC000566625652 322132146 /nfs/dbraw/zinc/13/21/46/322132146.db2.gz XGQZHHTYBUEDLN-UHFFFAOYSA-N -1 3 273.332 3.308 20 0 CGADHM Cc1cc(CN(C2CC2)C2CCCC2)oc1C(=O)[O-] ZINC000567055129 322148463 /nfs/dbraw/zinc/14/84/63/322148463.db2.gz OHSNYZBYKQMDQL-UHFFFAOYSA-N -1 3 263.337 3.193 20 0 CGADHM CC(C)Oc1ccccc1CN1CCC[C@](C)(C(=O)[O-])C1 ZINC000568058772 322190083 /nfs/dbraw/zinc/19/00/83/322190083.db2.gz CORPPDIHUJYSLI-KRWDZBQOSA-N -1 3 291.391 3.161 20 0 CGADHM Cc1ccc(F)c(CN(C)CCCCCC(=O)[O-])c1 ZINC000568067037 322191672 /nfs/dbraw/zinc/19/16/72/322191672.db2.gz KKJYTIMUXMOLFQ-UHFFFAOYSA-N -1 3 267.344 3.211 20 0 CGADHM O=C(Nc1c([O-])cccc1Cl)c1cn2ccnc2s1 ZINC000569516813 322249168 /nfs/dbraw/zinc/24/91/68/322249168.db2.gz LCFDVSAGXBNULB-UHFFFAOYSA-N -1 3 293.735 3.007 20 0 CGADHM CCc1nc(C(C)C)ccc1CN(CC)CCC(=O)[O-] ZINC000571172064 322292165 /nfs/dbraw/zinc/29/21/65/322292165.db2.gz KIECRKDHKGLTOM-UHFFFAOYSA-N -1 3 278.396 3.064 20 0 CGADHM Cc1c(C(=O)Nc2c([O-])cccc2Cl)cnn1C(C)C ZINC000571534011 322301421 /nfs/dbraw/zinc/30/14/21/322301421.db2.gz DODCPLVVNCKQPX-UHFFFAOYSA-N -1 3 293.754 3.384 20 0 CGADHM CCC[C@@H](C(=O)[O-])N1CCC[C@H]1c1cccs1 ZINC000572848271 322357893 /nfs/dbraw/zinc/35/78/93/322357893.db2.gz CILZKHGFESEPEC-QWRGUYRKSA-N -1 3 253.367 3.138 20 0 CGADHM CC[C@H](C)[C@@H](C)C(=O)N=c1[nH][n-]c(C)c1-c1ccccc1 ZINC000573001616 322365838 /nfs/dbraw/zinc/36/58/38/322365838.db2.gz QBXGHXPNJLTQTH-NWDGAFQWSA-N -1 3 285.391 3.428 20 0 CGADHM Cc1cc([C@H](C)N2C[C@@H](C)S[C@H](C)C2)oc1C(=O)[O-] ZINC000573259265 322378675 /nfs/dbraw/zinc/37/86/75/322378675.db2.gz PBWBGGLNUYMBGQ-MXWKQRLJSA-N -1 3 283.393 3.173 20 0 CGADHM CCC[C@@]1(C)CCCN([C@@H](C)c2nc(C)cc(=O)[n-]2)C1 ZINC000583421166 327355550 /nfs/dbraw/zinc/35/55/50/327355550.db2.gz MBQZRNDBUKQXFJ-BBRMVZONSA-N -1 3 277.412 3.454 20 0 CGADHM CCO[C@H]1C[C@@H](N(C)Cc2ccsc2C(=O)[O-])C1(C)C ZINC000583446099 327371556 /nfs/dbraw/zinc/37/15/56/327371556.db2.gz OSSWECZODJYKPF-NEPJUHHUSA-N -1 3 297.420 3.082 20 0 CGADHM O=C([O-])c1cccc(CN2C[C@@H]3CCC[C@@H]3C2)c1Cl ZINC000394558010 329120609 /nfs/dbraw/zinc/12/06/09/329120609.db2.gz JLDYABZUDWKLGZ-PHIMTYICSA-N -1 3 279.767 3.270 20 0 CGADHM C[C@H]1CC[C@H](C(=O)[O-])CN1Cc1cccc(C(F)F)c1 ZINC000397097294 329327831 /nfs/dbraw/zinc/32/78/31/329327831.db2.gz MTKLSXXJMVYUOB-GWCFXTLKSA-N -1 3 283.318 3.309 20 0 CGADHM C[C@H]1CC[C@H](C(=O)Nc2cc(F)ccc2[O-])CC1 ZINC000584534391 329515602 /nfs/dbraw/zinc/51/56/02/329515602.db2.gz NSTYGGKTPIJOAB-MGCOHNPYSA-N -1 3 251.301 3.296 20 0 CGADHM CCOc1cc(C(=O)Nc2cc(F)ccc2[O-])ccc1C ZINC000174872750 335167901 /nfs/dbraw/zinc/16/79/01/335167901.db2.gz XPYOOSIRJXNQFF-UHFFFAOYSA-N -1 3 289.306 3.491 20 0 CGADHM Cc1cc(C(=O)Nc2cc(F)ccc2[O-])nn1C(C)(C)C ZINC000174873927 335168036 /nfs/dbraw/zinc/16/80/36/335168036.db2.gz AHPXIFRIVJJFPU-UHFFFAOYSA-N -1 3 291.326 3.044 20 0 CGADHM Cc1cc(C(=O)Nc2cc(F)ccc2[O-])sc1C ZINC000174898239 335168854 /nfs/dbraw/zinc/16/88/54/335168854.db2.gz BQPBRRZXRNNZPW-UHFFFAOYSA-N -1 3 265.309 3.462 20 0 CGADHM Cc1ccc(OCC(=O)Nc2cc(F)ccc2[O-])c(C)c1 ZINC000174891125 335168950 /nfs/dbraw/zinc/16/89/50/335168950.db2.gz PXXCNJRKFXTZKB-UHFFFAOYSA-N -1 3 289.306 3.166 20 0 CGADHM CC(C)CCSCC(=O)Nc1cc(F)ccc1[O-] ZINC000174894199 335169013 /nfs/dbraw/zinc/16/90/13/335169013.db2.gz LOYMGBMAFKQOSB-UHFFFAOYSA-N -1 3 271.357 3.249 20 0 CGADHM O=C(Nc1cc(C(F)(F)F)ccc1[O-])c1ccco1 ZINC000175826044 335205593 /nfs/dbraw/zinc/20/55/93/335205593.db2.gz XDMDZNNTUNGXSM-UHFFFAOYSA-N -1 3 271.194 3.256 20 0 CGADHM Cc1cc([C@H](C)N2CC[C@H](C)[C@H](C)C2)oc1C(=O)[O-] ZINC000576761452 335244945 /nfs/dbraw/zinc/24/49/45/335244945.db2.gz MLSTXZUPPBJWTD-WCQGTBRESA-N -1 3 265.353 3.325 20 0 CGADHM Cc1ccoc1C(=O)Nc1cc(Br)ccc1[O-] ZINC000176434959 335278219 /nfs/dbraw/zinc/27/82/19/335278219.db2.gz IHKWSGUKIZMCKY-UHFFFAOYSA-N -1 3 296.120 3.308 20 0 CGADHM CC[C@@H](Cc1nc(-c2ccc3n[n-]nc3c2)no1)C(C)C ZINC000580686078 335322451 /nfs/dbraw/zinc/32/24/51/335322451.db2.gz JIMPKVGTPXNFTG-JTQLQIEISA-N -1 3 285.351 3.233 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2ccc(Br)cc2)n1 ZINC000577941046 335426191 /nfs/dbraw/zinc/42/61/91/335426191.db2.gz YHZIBGIKEOPIBW-QPJJXVBHSA-N -1 3 291.148 3.424 20 0 CGADHM CCc1noc(C)c1[N-]C(=O)c1cc2nc(C)ccc2o1 ZINC000178843551 335454248 /nfs/dbraw/zinc/45/42/48/335454248.db2.gz KTXGNGGUDNNLCO-UHFFFAOYSA-N -1 3 285.303 3.247 20 0 CGADHM CC(C)c1ccc(-c2nc([C@H]3CCOC3)no2)c([O-])c1 ZINC000350570746 335515233 /nfs/dbraw/zinc/51/52/33/335515233.db2.gz OFJUPFKSFJGJMR-NSHDSACASA-N -1 3 274.320 3.070 20 0 CGADHM c1cc(-c2noc(C3CC4(CCC4)C3)n2)cc2n[n-]nc12 ZINC000351465622 335615799 /nfs/dbraw/zinc/61/57/99/335615799.db2.gz RBYPZQMQOUSSME-UHFFFAOYSA-N -1 3 281.319 3.056 20 0 CGADHM Cc1ccc(CN(C)Cc2ncccc2[O-])cc1C ZINC000581052477 336001014 /nfs/dbraw/zinc/00/10/14/336001014.db2.gz FNDQHDFEDFDVQA-UHFFFAOYSA-N -1 3 256.349 3.036 20 0 CGADHM Cc1cccc(C(=O)N2CC(C)(C)[C@H]3CCC[C@@H]32)c1[O-] ZINC000381146043 336052006 /nfs/dbraw/zinc/05/20/06/336052006.db2.gz RKIVJURGUKNSCQ-KBPBESRZSA-N -1 3 273.376 3.351 20 0 CGADHM CCC(C)(C)[C@@H](NCc1ccc(OC)cc1Cl)C(=O)[O-] ZINC000581489162 336088288 /nfs/dbraw/zinc/08/82/88/336088288.db2.gz NYOWMDDWHABLLY-ZDUSSCGKSA-N -1 3 299.798 3.328 20 0 CGADHM COc1cc(CN2CC[C@@H](C)C[C@@H]2C(=O)[O-])ccc1Cl ZINC000581554161 336101991 /nfs/dbraw/zinc/10/19/91/336101991.db2.gz VUWSINKYKXQVRM-ZWNOBZJWSA-N -1 3 297.782 3.034 20 0 CGADHM Cc1sc(C(=O)[O-])cc1CN(C)CCCOC(C)C ZINC000383359333 336107634 /nfs/dbraw/zinc/10/76/34/336107634.db2.gz DBQYUHAMSWOKJI-UHFFFAOYSA-N -1 3 285.409 3.002 20 0 CGADHM CN(CCOCc1ccccc1)Cc1ccccc1C(=O)[O-] ZINC000383718937 336117071 /nfs/dbraw/zinc/11/70/71/336117071.db2.gz UDKMWJJGJZFWRE-UHFFFAOYSA-N -1 3 299.370 3.033 20 0 CGADHM Cc1sc(C(=O)[O-])cc1CN1CCSCC[C@@H]1C ZINC000385214173 336142130 /nfs/dbraw/zinc/14/21/30/336142130.db2.gz YKOUIYCGGLLSOD-VIFPVBQESA-N -1 3 285.434 3.082 20 0 CGADHM CC(C)C[C@H](C(=O)[O-])N1CCc2cc(Cl)ccc2C1 ZINC000581890059 336160878 /nfs/dbraw/zinc/16/08/78/336160878.db2.gz YSAOYTTXIGVDES-CQSZACIVSA-N -1 3 281.783 3.197 20 0 CGADHM C[C@@H]1CCC[C@@H](N(C)Cc2nc(=O)c3sccc3[n-]2)C1 ZINC000026470605 533760931 /nfs/dbraw/zinc/76/09/31/533760931.db2.gz FTRZVSRRFHMFKG-GHMZBOCLSA-N -1 3 291.420 3.407 20 0 CGADHM C[C@H](CC1CC1)NC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436973378 533765879 /nfs/dbraw/zinc/76/58/79/533765879.db2.gz SEOPRLAZSJYMRZ-LLVKDONJSA-N -1 3 273.376 3.189 20 0 CGADHM C[C@@H]1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000436633127 534001336 /nfs/dbraw/zinc/00/13/36/534001336.db2.gz IUXPNDGCUBSXHC-CQSZACIVSA-N -1 3 295.382 3.465 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N[C@@H](c2ccccc2)C2CC2)n1 ZINC000192767133 534019518 /nfs/dbraw/zinc/01/95/18/534019518.db2.gz OIOFKCBTDHMLAU-LRDDRELGSA-N -1 3 283.375 3.293 20 0 CGADHM COC(=O)c1ccc(C)c(NC(=O)c2ccc(C)cc2[O-])c1 ZINC000436792055 534061912 /nfs/dbraw/zinc/06/19/12/534061912.db2.gz LWHYNHMUSNQZEN-UHFFFAOYSA-N -1 3 299.326 3.048 20 0 CGADHM Cc1ccc(C(=O)NCCc2ccccc2F)c([O-])c1C ZINC000436622284 534266830 /nfs/dbraw/zinc/26/68/30/534266830.db2.gz CZCZDVSKUIYVKT-UHFFFAOYSA-N -1 3 287.334 3.121 20 0 CGADHM C[C@H](C(=O)[N-][C@](C)(C1CC1)C(F)(F)F)C(F)(F)F ZINC000361243502 534295992 /nfs/dbraw/zinc/29/59/92/534295992.db2.gz JLBNFVRVTIHLFC-SVGQVSJJSA-N -1 3 277.208 3.032 20 0 CGADHM Cc1ccc2c(c1)CN(C(=O)c1ccc([O-])c(C)c1)C2 ZINC000436992385 534425497 /nfs/dbraw/zinc/42/54/97/534425497.db2.gz VFVPSDCLQYXBMU-UHFFFAOYSA-N -1 3 267.328 3.165 20 0 CGADHM [O-]c1ccc(-c2noc(-c3ccnc(C4CC4)c3)n2)cc1 ZINC000436752030 534448631 /nfs/dbraw/zinc/44/86/31/534448631.db2.gz WMUJQQCUXOZDHZ-UHFFFAOYSA-N -1 3 279.299 3.382 20 0 CGADHM CC(C)OCCS(=O)(=O)[N-]c1cccc2ccccc21 ZINC000080782526 519769900 /nfs/dbraw/zinc/76/99/00/519769900.db2.gz MWTACEZYBZDOGG-UHFFFAOYSA-N -1 3 293.388 3.007 20 0 CGADHM Cc1ccoc1CN[C@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000426759688 534450291 /nfs/dbraw/zinc/45/02/91/534450291.db2.gz XJWVPGUTQJUMFS-DOMZBBRYSA-N -1 3 273.332 3.140 20 0 CGADHM O=C([O-])[C@@H](NCc1cc(F)cc(Cl)c1)c1cccs1 ZINC000426797825 534514975 /nfs/dbraw/zinc/51/49/75/534514975.db2.gz GRODOGREIKDGPL-LBPRGKRZSA-N -1 3 299.754 3.456 20 0 CGADHM Cc1cccc(C(=O)N(C)[C@@H](C)Cc2ccc(O)cc2)c1[O-] ZINC000159219480 534585290 /nfs/dbraw/zinc/58/52/90/534585290.db2.gz LGBUPAJLISCHDD-ZDUSSCGKSA-N -1 3 299.370 3.109 20 0 CGADHM Cc1cccc(C(=O)NC/C=C/c2ccccc2)c1[O-] ZINC000436545397 534599740 /nfs/dbraw/zinc/59/97/40/534599740.db2.gz GNUGUYXZDRJKLR-UXBLZVDNSA-N -1 3 267.328 3.144 20 0 CGADHM Cc1cccc(C(=O)NCC2(C(F)(F)F)CCC2)c1[O-] ZINC000436689661 534600489 /nfs/dbraw/zinc/60/04/89/534600489.db2.gz WWUYKHAJASICSC-UHFFFAOYSA-N -1 3 287.281 3.163 20 0 CGADHM O=C(N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)c1ccccc1[O-] ZINC000436583357 534764962 /nfs/dbraw/zinc/76/49/62/534764962.db2.gz JLLSHMTUQIIXTK-YNEHKIRRSA-N -1 3 259.349 3.091 20 0 CGADHM Cc1ccccc1C1(CNC(=O)c2ccccc2[O-])CC1 ZINC000436710651 534803048 /nfs/dbraw/zinc/80/30/48/534803048.db2.gz XCOYHXVLXJRKJQ-UHFFFAOYSA-N -1 3 281.355 3.162 20 0 CGADHM CSC[C@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000081458624 525673875 /nfs/dbraw/zinc/67/38/75/525673875.db2.gz UILLGIQSDPHKCE-ZETCQYMHSA-N -1 3 293.310 3.349 20 0 CGADHM C=Cc1ccc(S(=O)(=O)[N-]c2cccc(F)c2F)cc1 ZINC000436475257 526280091 /nfs/dbraw/zinc/28/00/91/526280091.db2.gz GLKORRQEMFRFEF-UHFFFAOYSA-N -1 3 295.310 3.409 20 0 CGADHM CC(=O)c1ccc(C(=O)N(C)Cc2ccc(C)cc2)cc1[O-] ZINC000436853531 527233477 /nfs/dbraw/zinc/23/34/77/527233477.db2.gz QTBIAZXWWIWEDZ-UHFFFAOYSA-N -1 3 297.354 3.175 20 0 CGADHM O=[S@@](Cc1ccccc1Cl)c1ccc([O-])cc1 ZINC000108084422 527423788 /nfs/dbraw/zinc/42/37/88/527423788.db2.gz MNCNJOBJNWHGDX-QGZVFWFLSA-N -1 3 266.749 3.353 20 0 CGADHM O=C([O-])C1(NCc2cc(Cl)ccc2Cl)CCC1 ZINC000147280336 527557655 /nfs/dbraw/zinc/55/76/55/527557655.db2.gz QWIFHDVGBSOQFF-UHFFFAOYSA-N -1 3 274.147 3.090 20 0 CGADHM CCCN(C)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000439060480 527811833 /nfs/dbraw/zinc/81/18/33/527811833.db2.gz PNGPQJRGLUGNIB-UHFFFAOYSA-N -1 3 283.371 3.465 20 0 CGADHM CCCN(CC(=O)[O-])[C@@H](C)c1cc2ccccc2o1 ZINC000083662673 527900263 /nfs/dbraw/zinc/90/02/63/527900263.db2.gz PXWGATCMMLTSJD-NSHDSACASA-N -1 3 261.321 3.290 20 0 CGADHM CCN(CC(C)C)C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000436951077 527960989 /nfs/dbraw/zinc/96/09/89/527960989.db2.gz PFWMVLFMVXTPQL-UHFFFAOYSA-N -1 3 275.392 3.389 20 0 CGADHM CCC[C@H](C(=O)Nc1ccc([O-])cc1F)c1ccccn1 ZINC000355933067 527988075 /nfs/dbraw/zinc/98/80/75/527988075.db2.gz SWTWTQQQNSHOGF-LBPRGKRZSA-N -1 3 288.322 3.449 20 0 CGADHM CC(C)c1ccc(-c2nc(-c3ccncn3)no2)c([O-])c1 ZINC000436640551 528051446 /nfs/dbraw/zinc/05/14/46/528051446.db2.gz XCGPOEXCRSHKLX-UHFFFAOYSA-N -1 3 282.303 3.023 20 0 CGADHM CCCC1(CNC(=O)c2ccc(C(C)=O)c([O-])c2)CCC1 ZINC000436662290 528058559 /nfs/dbraw/zinc/05/85/59/528058559.db2.gz YGRAOSHSLOIVNL-UHFFFAOYSA-N -1 3 289.375 3.295 20 0 CGADHM CC(C)c1ccc(C(=O)N2CC(C)(C)OC[C@@H]2C)c([O-])c1 ZINC000436734084 528060777 /nfs/dbraw/zinc/06/07/77/528060777.db2.gz JXQFMPOGPGYSNE-LBPRGKRZSA-N -1 3 291.391 3.155 20 0 CGADHM CC(C)c1ccc(C(=O)Nc2ccccc2[O-])nc1 ZINC000436902835 528081106 /nfs/dbraw/zinc/08/11/06/528081106.db2.gz RGXZUWDXJPISAL-UHFFFAOYSA-N -1 3 256.305 3.163 20 0 CGADHM CCC(=O)Nc1ccc(NC(=O)c2ccc([O-])c(C)c2)cc1 ZINC000436928777 528434544 /nfs/dbraw/zinc/43/45/44/528434544.db2.gz XAHKXOQFFJKRBW-UHFFFAOYSA-N -1 3 298.342 3.301 20 0 CGADHM CC(C)c1occc1C(=O)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000359259929 528518576 /nfs/dbraw/zinc/51/85/76/528518576.db2.gz CIYFULORGNWIAV-UHFFFAOYSA-N -1 3 295.342 3.467 20 0 CGADHM CCOc1ccccc1N(C)C(=O)c1ccc([O-])c(C)c1 ZINC000436935901 528736104 /nfs/dbraw/zinc/73/61/04/528736104.db2.gz DTDVSLZZXOFDRL-UHFFFAOYSA-N -1 3 285.343 3.376 20 0 CGADHM CCC(CC)n1ccc(C(=O)Nc2ccc([O-])cc2F)n1 ZINC000436749822 528893824 /nfs/dbraw/zinc/89/38/24/528893824.db2.gz UIYOMRJRRPIDLA-UHFFFAOYSA-N -1 3 291.326 3.341 20 0 CGADHM CC(C)[C@H](C(=O)Nc1ccc([O-])cc1F)c1cccnc1 ZINC000436069981 528928547 /nfs/dbraw/zinc/92/85/47/528928547.db2.gz ZKVGYSDDSPGBBB-HNNXBMFYSA-N -1 3 288.322 3.305 20 0 CGADHM CCN(C(=O)c1cc(OC)ccc1[O-])[C@@H]1CCCC[C@H]1C ZINC000171241419 529075679 /nfs/dbraw/zinc/07/56/79/529075679.db2.gz UUEUYSVMSIAURP-IUODEOHRSA-N -1 3 291.391 3.442 20 0 CGADHM CCN(C(=O)c1ccc(O)cc1[O-])[C@H]1CCCC[C@@H]1C ZINC000171242860 529084292 /nfs/dbraw/zinc/08/42/92/529084292.db2.gz AQAIWQKLILIPGO-FZMZJTMJSA-N -1 3 277.364 3.139 20 0 CGADHM CCC1(CC)[C@H](OC)C[C@@H]1NC(=O)c1ccc([O-])c(C)c1 ZINC000436940222 529114303 /nfs/dbraw/zinc/11/43/03/529114303.db2.gz VDWQSLVHRVBWOO-LSDHHAIUSA-N -1 3 291.391 3.024 20 0 CGADHM CC[C@H](CC(F)(F)F)NC(=O)c1cc(C)ccc1[O-] ZINC000436980165 529316097 /nfs/dbraw/zinc/31/60/97/529316097.db2.gz MQDMZOAUMKJNKS-SECBINFHSA-N -1 3 275.270 3.161 20 0 CGADHM CCc1cc(C(=O)N(C)C[C@H]2CC=CCC2)ccc1[O-] ZINC000487009553 536099161 /nfs/dbraw/zinc/09/91/61/536099161.db2.gz LOLQBZRSNJGLSM-ZDUSSCGKSA-N -1 3 273.376 3.383 20 0 CGADHM CCc1cc(OC)ccc1C=Cc1nc(C)cc(=O)[n-]1 ZINC000486144019 536155713 /nfs/dbraw/zinc/15/57/13/536155713.db2.gz HRYYWJAKPRKCHF-SOFGYWHQSA-N -1 3 270.332 3.232 20 0 CGADHM COc1ccc(NC(=O)C(C)(C)C(C)(F)F)c([O-])c1 ZINC000451024445 571717791 /nfs/dbraw/zinc/71/77/91/571717791.db2.gz ILINJFDOHYTPRU-UHFFFAOYSA-N -1 3 273.279 3.021 20 0 CGADHM C[C@@H](c1ccccc1F)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000226421210 568585414 /nfs/dbraw/zinc/58/54/14/568585414.db2.gz CTBFJYQEINLMLV-RYUDHWBXSA-N -1 3 265.328 3.073 20 0 CGADHM Cc1ccc(C(=O)NCCSC(C)(C)C)c([O-])c1C ZINC000727488678 571750647 /nfs/dbraw/zinc/75/06/47/571750647.db2.gz FZQIDMYYRAMHAI-UHFFFAOYSA-N -1 3 281.421 3.271 20 0 CGADHM CCCC=CC(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000729342007 571900165 /nfs/dbraw/zinc/90/01/65/571900165.db2.gz NSCUPBYLKROWDN-WAYWQWQTSA-N -1 3 297.358 3.040 20 0 CGADHM CC(C)Oc1ccc(NC(=O)c2cc3occc3[n-]2)cn1 ZINC000750854762 572329960 /nfs/dbraw/zinc/32/99/60/572329960.db2.gz TUYGFYUBUTYRQC-UHFFFAOYSA-N -1 3 285.303 3.195 20 0 CGADHM Cc1occc1CNc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000737555962 572348222 /nfs/dbraw/zinc/34/82/22/572348222.db2.gz BYTPWQVOFVFGTI-UHFFFAOYSA-N -1 3 289.726 3.034 20 0 CGADHM Cc1occc1CNc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000737555962 572348224 /nfs/dbraw/zinc/34/82/24/572348224.db2.gz BYTPWQVOFVFGTI-UHFFFAOYSA-N -1 3 289.726 3.034 20 0 CGADHM C[C@@H](CCNCc1cccc(Cl)c1Cl)NC(=O)[O-] ZINC000738907450 572396908 /nfs/dbraw/zinc/39/69/08/572396908.db2.gz UFTAKHOKUCHWBV-QMMMGPOBSA-N -1 3 291.178 3.129 20 0 CGADHM CNc1cc(C(=O)Nc2ccc(C)cc2[O-])cc(Cl)n1 ZINC000731874955 572431059 /nfs/dbraw/zinc/43/10/59/572431059.db2.gz QRRZXXWWAKQACB-UHFFFAOYSA-N -1 3 291.738 3.043 20 0 CGADHM O=C([O-])N1CCC[C@@H](CN2CCCC[C@H]2c2ccco2)C1 ZINC000740512569 572443909 /nfs/dbraw/zinc/44/39/09/572443909.db2.gz QBQAEFDDFNAUET-KBPBESRZSA-N -1 3 292.379 3.197 20 0 CGADHM Cc1cccc(CCC(=O)Nc2ccccc2[O-])c1 ZINC000048392201 572511698 /nfs/dbraw/zinc/51/16/98/572511698.db2.gz KAIXNTUHKPGPKU-UHFFFAOYSA-N -1 3 255.317 3.272 20 0 CGADHM CC(C)C[C@@](C)(CNC(=O)[O-])NCc1ccc(Cl)o1 ZINC000738803250 572721830 /nfs/dbraw/zinc/72/18/30/572721830.db2.gz ARLQTQGIDCSLON-ZDUSSCGKSA-N -1 3 288.775 3.095 20 0 CGADHM CC(C)CCSCc1cc(-c2nnn[n-]2)ccc1F ZINC000735820183 572742767 /nfs/dbraw/zinc/74/27/67/572742767.db2.gz PPYMEBMEBBSAOP-UHFFFAOYSA-N -1 3 280.372 3.285 20 0 CGADHM CC(C)CCSCc1cc(-c2nn[n-]n2)ccc1F ZINC000735820183 572742771 /nfs/dbraw/zinc/74/27/71/572742771.db2.gz PPYMEBMEBBSAOP-UHFFFAOYSA-N -1 3 280.372 3.285 20 0 CGADHM CC(C)CCN(C)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735803700 572743017 /nfs/dbraw/zinc/74/30/17/572743017.db2.gz IFOCBOYRZCUHDF-UHFFFAOYSA-N -1 3 279.775 3.002 20 0 CGADHM CC(C)CCN(C)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735803700 572743020 /nfs/dbraw/zinc/74/30/20/572743020.db2.gz IFOCBOYRZCUHDF-UHFFFAOYSA-N -1 3 279.775 3.002 20 0 CGADHM CCC1CCN(c2cc(Cl)ccc2-c2nnn[n-]2)CC1 ZINC000736407882 572788755 /nfs/dbraw/zinc/78/87/55/572788755.db2.gz HUYOEYWOVQAVOT-UHFFFAOYSA-N -1 3 291.786 3.147 20 0 CGADHM CCC1CCN(c2cc(Cl)ccc2-c2nn[n-]n2)CC1 ZINC000736407882 572788757 /nfs/dbraw/zinc/78/87/57/572788757.db2.gz HUYOEYWOVQAVOT-UHFFFAOYSA-N -1 3 291.786 3.147 20 0 CGADHM CCCCCNc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000736451280 572794269 /nfs/dbraw/zinc/79/42/69/572794269.db2.gz ISVAPSKKBAJZLV-UHFFFAOYSA-N -1 3 282.351 3.017 20 0 CGADHM CCCCCNc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000736451280 572794272 /nfs/dbraw/zinc/79/42/72/572794272.db2.gz ISVAPSKKBAJZLV-UHFFFAOYSA-N -1 3 282.351 3.017 20 0 CGADHM CCc1ccc(COc2ccc(-c3nnn[n-]3)c(F)c2)cc1 ZINC000736687354 572805327 /nfs/dbraw/zinc/80/53/27/572805327.db2.gz AZUNLRMHBADDBE-UHFFFAOYSA-N -1 3 298.321 3.147 20 0 CGADHM CCc1ccc(COc2ccc(-c3nn[n-]n3)c(F)c2)cc1 ZINC000736687354 572805330 /nfs/dbraw/zinc/80/53/30/572805330.db2.gz AZUNLRMHBADDBE-UHFFFAOYSA-N -1 3 298.321 3.147 20 0 CGADHM C[C@@]1(NCc2ccc(C(=O)[O-])o2)CCCc2ccccc21 ZINC000736738179 572807335 /nfs/dbraw/zinc/80/73/35/572807335.db2.gz FPGRIIIHVHEBOQ-QGZVFWFLSA-N -1 3 285.343 3.319 20 0 CGADHM CCCC[C@H](N[C@H](C)c1cc(F)ccc1OC)C(=O)[O-] ZINC000736981908 572831732 /nfs/dbraw/zinc/83/17/32/572831732.db2.gz KDSUWNSMQRNCKS-MFKMUULPSA-N -1 3 283.343 3.128 20 0 CGADHM COc1ccc(NC(=O)CCc2ccc(C)s2)c([O-])c1 ZINC000356012533 572841596 /nfs/dbraw/zinc/84/15/96/572841596.db2.gz RFMBLGRSXBVZHB-UHFFFAOYSA-N -1 3 291.372 3.342 20 0 CGADHM CC(C)N(Cc1nc2c3ccccc3oc2c(=O)[n-]1)C1CC1 ZINC000075610127 572879265 /nfs/dbraw/zinc/87/92/65/572879265.db2.gz ZWTXXBRPIQYJBC-UHFFFAOYSA-N -1 3 297.358 3.454 20 0 CGADHM C/C(=C/c1ccc(F)cc1)C(=O)[N-]OCc1ccccc1 ZINC000749335928 572992217 /nfs/dbraw/zinc/99/22/17/572992217.db2.gz VDDPVGMTKIIQJF-QBFSEMIESA-N -1 3 285.318 3.477 20 0 CGADHM CC(C)CCSc1ncc(-c2nnn[n-]2)cc1Cl ZINC000820081778 599089605 /nfs/dbraw/zinc/08/96/05/599089605.db2.gz VGGDPJIENZNDJZ-UHFFFAOYSA-N -1 3 283.788 3.053 20 0 CGADHM CC(C)CCSc1ncc(-c2nn[n-]n2)cc1Cl ZINC000820081778 599089608 /nfs/dbraw/zinc/08/96/08/599089608.db2.gz VGGDPJIENZNDJZ-UHFFFAOYSA-N -1 3 283.788 3.053 20 0 CGADHM CC(C)[C@@H](C)Sc1cccc(F)c1-c1nnn[n-]1 ZINC000820020309 599098727 /nfs/dbraw/zinc/09/87/27/599098727.db2.gz DNJYVPYGLQDJBC-MRVPVSSYSA-N -1 3 266.345 3.142 20 0 CGADHM Cc1cccc([C@H](C)Sc2ccc(-c3nnn[n-]3)cn2)c1 ZINC000822288892 599125333 /nfs/dbraw/zinc/12/53/33/599125333.db2.gz MFILVAKAMOHUIM-NSHDSACASA-N -1 3 297.387 3.423 20 0 CGADHM Cc1cccc([C@H](C)Sc2ccc(-c3nn[n-]n3)cn2)c1 ZINC000822288892 599125336 /nfs/dbraw/zinc/12/53/36/599125336.db2.gz MFILVAKAMOHUIM-NSHDSACASA-N -1 3 297.387 3.423 20 0 CGADHM C[C@@H](NCc1ccc(C(=O)[O-])cc1)c1cccc(F)c1 ZINC000050920793 597207649 /nfs/dbraw/zinc/20/76/49/597207649.db2.gz KWAGIICBFWPMIP-LLVKDONJSA-N -1 3 273.307 3.375 20 0 CGADHM CCCC1(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)CCC1 ZINC000821027266 607294525 /nfs/dbraw/zinc/29/45/25/607294525.db2.gz NLSWSZILQUXXIM-UHFFFAOYSA-N -1 3 299.378 3.084 20 0 CGADHM CCCC1(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)CCC1 ZINC000821027266 607294526 /nfs/dbraw/zinc/29/45/26/607294526.db2.gz NLSWSZILQUXXIM-UHFFFAOYSA-N -1 3 299.378 3.084 20 0 CGADHM COc1cccc(C2(NCc3cccc(C(=O)[O-])c3)CC2)c1 ZINC000263412137 598204481 /nfs/dbraw/zinc/20/44/81/598204481.db2.gz LSWFSBZTBSNEEQ-UHFFFAOYSA-N -1 3 297.354 3.172 20 0 CGADHM O=C([O-])CCCCN[C@@H](c1ccccc1)c1ccccn1 ZINC000262243927 598212879 /nfs/dbraw/zinc/21/28/79/598212879.db2.gz ONHIWBGNBGGWBR-KRWDZBQOSA-N -1 3 284.359 3.016 20 0 CGADHM CSCCO[N-]C(=O)C[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000794188357 629520636 /nfs/dbraw/zinc/52/06/36/629520636.db2.gz OTVVURHFQOFTBY-VXGBXAGGSA-N -1 3 273.442 3.250 20 0 CGADHM Cc1c(Cl)c(CNC(C)(C)C(=O)[O-])nc2ccccc12 ZINC000087626004 599925210 /nfs/dbraw/zinc/92/52/10/599925210.db2.gz QXIXBPRHTAAXNF-UHFFFAOYSA-N -1 3 292.766 3.149 20 0 CGADHM CCN(Cc1ccc(C(=O)[O-])o1)[C@H](C)c1cccc(O)c1 ZINC000829718991 601007363 /nfs/dbraw/zinc/00/73/63/601007363.db2.gz UWAYZQCNYXREHU-LLVKDONJSA-N -1 3 289.331 3.267 20 0 CGADHM O=C([O-])CC1(NCc2csc(C3CC3)n2)CCCCC1 ZINC000833205353 601562015 /nfs/dbraw/zinc/56/20/15/601562015.db2.gz AEGBOSFLWADLPC-UHFFFAOYSA-N -1 3 294.420 3.288 20 0 CGADHM CCc1nc2c(s1)[C@H](N(C)C/C=C(/C)C(=O)[O-])CCC2 ZINC000830322893 602054388 /nfs/dbraw/zinc/05/43/88/602054388.db2.gz SVMGHTVSQFGBLA-VPUINMBXSA-N -1 3 294.420 3.046 20 0 CGADHM CCc1nc2c(s1)[C@@H](N(C)C/C=C(\C)C(=O)[O-])CCC2 ZINC000830322892 602054851 /nfs/dbraw/zinc/05/48/51/602054851.db2.gz SVMGHTVSQFGBLA-OANVXVOSSA-N -1 3 294.420 3.046 20 0 CGADHM C[C@H](NCc1ccc([C@H](C)NC(=O)[O-])cc1)c1cccnc1 ZINC000825501273 604304558 /nfs/dbraw/zinc/30/45/58/604304558.db2.gz BVPPRVLIRJTTFV-STQMWFEESA-N -1 3 299.374 3.261 20 0 CGADHM CCCc1cc(=O)[n-]c(C(=Cc2cn(CC)cn2)CC)n1 ZINC000899370844 620679249 /nfs/dbraw/zinc/67/92/49/620679249.db2.gz BWCSJHBUUDERQS-WQLSENKSSA-N -1 3 286.379 3.302 20 0 CGADHM O=C([O-])Nc1cccc(CN2CC[C@@H](C(F)(F)F)C2)c1 ZINC000834269532 605620397 /nfs/dbraw/zinc/62/03/97/605620397.db2.gz XMCWURVNNQBHST-SNVBAGLBSA-N -1 3 288.269 3.161 20 0 CGADHM O=C([O-])N[C@H]1C[C@@H](NCc2cccs2)c2ccccc21 ZINC000834157468 605789446 /nfs/dbraw/zinc/78/94/46/605789446.db2.gz HUZKZYKMWMKPCN-KGLIPLIRSA-N -1 3 288.372 3.291 20 0 CGADHM O=C([O-])N[C@H]1C[C@H](NCc2ccsc2)c2ccccc21 ZINC000834156474 605791992 /nfs/dbraw/zinc/79/19/92/605791992.db2.gz AKNDCVGHIXTLBM-KBPBESRZSA-N -1 3 288.372 3.291 20 0 CGADHM C[C@@H]1CC[C@H](C)N(Cc2cc(C(=O)[O-])ccc2F)C1 ZINC000088712498 605836428 /nfs/dbraw/zinc/83/64/28/605836428.db2.gz QUSGMCXNPIPITI-MNOVXSKESA-N -1 3 265.328 3.144 20 0 CGADHM CCCC[C@H](CCC)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000821042459 606402824 /nfs/dbraw/zinc/40/28/24/606402824.db2.gz BBKSHUYQOIJFPM-LBPRGKRZSA-N -1 3 274.372 3.033 20 0 CGADHM CCCC[C@H](CCC)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000821042459 606402825 /nfs/dbraw/zinc/40/28/25/606402825.db2.gz BBKSHUYQOIJFPM-LBPRGKRZSA-N -1 3 274.372 3.033 20 0 CGADHM Clc1cc(NC(C2CC2)C2CC2)ccc1-c1nnn[n-]1 ZINC000822567718 606446624 /nfs/dbraw/zinc/44/66/24/606446624.db2.gz FSXBPMLYEHNSQV-UHFFFAOYSA-N -1 3 289.770 3.121 20 0 CGADHM Clc1cc(NC(C2CC2)C2CC2)ccc1-c1nn[n-]n1 ZINC000822567718 606446626 /nfs/dbraw/zinc/44/66/26/606446626.db2.gz FSXBPMLYEHNSQV-UHFFFAOYSA-N -1 3 289.770 3.121 20 0 CGADHM Cl/C=C(\Cl)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000822562528 606867007 /nfs/dbraw/zinc/86/70/07/606867007.db2.gz ANPYZOUXDYBZHN-YVMONPNESA-N -1 3 287.175 3.278 20 0 CGADHM Cl/C=C(\Cl)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000822562528 606867008 /nfs/dbraw/zinc/86/70/08/606867008.db2.gz ANPYZOUXDYBZHN-YVMONPNESA-N -1 3 287.175 3.278 20 0 CGADHM Fc1ccc(CSC2CCCC2)cc1-c1nnn[n-]1 ZINC000822772027 607005550 /nfs/dbraw/zinc/00/55/50/607005550.db2.gz PHIPTLOKHSETML-UHFFFAOYSA-N -1 3 278.356 3.182 20 0 CGADHM Fc1ccc(CSC2CCCC2)cc1-c1nn[n-]n1 ZINC000822772027 607005552 /nfs/dbraw/zinc/00/55/52/607005552.db2.gz PHIPTLOKHSETML-UHFFFAOYSA-N -1 3 278.356 3.182 20 0 CGADHM c1cc(SC2CCCCC2)cc(-c2nnn[n-]2)c1 ZINC000823762615 607016179 /nfs/dbraw/zinc/01/61/79/607016179.db2.gz QIKNTPOHYHQEEF-UHFFFAOYSA-N -1 3 260.366 3.292 20 0 CGADHM c1cc(SC2CCCCC2)cc(-c2nn[n-]n2)c1 ZINC000823762615 607016180 /nfs/dbraw/zinc/01/61/80/607016180.db2.gz QIKNTPOHYHQEEF-UHFFFAOYSA-N -1 3 260.366 3.292 20 0 CGADHM CCCC(=CC(=O)Nc1ccccc1-c1nnn[n-]1)CCC ZINC000825218638 608148524 /nfs/dbraw/zinc/14/85/24/608148524.db2.gz FDSMEGOUJUDDBH-UHFFFAOYSA-N -1 3 299.378 3.332 20 0 CGADHM CCCC(=CC(=O)Nc1ccccc1-c1nn[n-]n1)CCC ZINC000825218638 608148525 /nfs/dbraw/zinc/14/85/25/608148525.db2.gz FDSMEGOUJUDDBH-UHFFFAOYSA-N -1 3 299.378 3.332 20 0 CGADHM CC[C@@H]1CC[C@@H](C)N1c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825195662 608237274 /nfs/dbraw/zinc/23/72/74/608237274.db2.gz XTBWUXSKUDYNON-NXEZZACHSA-N -1 3 291.786 3.287 20 0 CGADHM CC[C@@H]1CC[C@@H](C)N1c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825195662 608237276 /nfs/dbraw/zinc/23/72/76/608237276.db2.gz XTBWUXSKUDYNON-NXEZZACHSA-N -1 3 291.786 3.287 20 0 CGADHM CCSCCS[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825673755 608404090 /nfs/dbraw/zinc/40/40/90/608404090.db2.gz AHTDGDOKZGYEBN-SNVBAGLBSA-N -1 3 294.449 3.414 20 0 CGADHM CCSCCS[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825673755 608404091 /nfs/dbraw/zinc/40/40/91/608404091.db2.gz AHTDGDOKZGYEBN-SNVBAGLBSA-N -1 3 294.449 3.414 20 0 CGADHM C[C@@H](Nc1cccc(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824662845 609160840 /nfs/dbraw/zinc/16/08/40/609160840.db2.gz SFXFSUOAPZZQHV-SNVBAGLBSA-N -1 3 283.310 3.179 20 0 CGADHM C[C@@H](Nc1cccc(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824662845 609160842 /nfs/dbraw/zinc/16/08/42/609160842.db2.gz SFXFSUOAPZZQHV-SNVBAGLBSA-N -1 3 283.310 3.179 20 0 CGADHM Cc1cc(N[C@H](C)c2cccc(-c3nnn[n-]3)c2)ccc1F ZINC000826270973 609252019 /nfs/dbraw/zinc/25/20/19/609252019.db2.gz WIAPAYAHJIGJJC-LLVKDONJSA-N -1 3 297.337 3.487 20 0 CGADHM Cc1cc(N[C@H](C)c2cccc(-c3nn[n-]n3)c2)ccc1F ZINC000826270973 609252020 /nfs/dbraw/zinc/25/20/20/609252020.db2.gz WIAPAYAHJIGJJC-LLVKDONJSA-N -1 3 297.337 3.487 20 0 CGADHM Cc1ccc(F)c(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826289748 609255247 /nfs/dbraw/zinc/25/52/47/609255247.db2.gz LHFKJKHXVVFFLW-LLVKDONJSA-N -1 3 297.337 3.487 20 0 CGADHM Cc1ccc(F)c(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826289748 609255249 /nfs/dbraw/zinc/25/52/49/609255249.db2.gz LHFKJKHXVVFFLW-LLVKDONJSA-N -1 3 297.337 3.487 20 0 CGADHM Cc1ccc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000826291602 609346601 /nfs/dbraw/zinc/34/66/01/609346601.db2.gz NIKPDRMTXNUYAZ-LLVKDONJSA-N -1 3 297.337 3.487 20 0 CGADHM Cc1ccc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000826291602 609346603 /nfs/dbraw/zinc/34/66/03/609346603.db2.gz NIKPDRMTXNUYAZ-LLVKDONJSA-N -1 3 297.337 3.487 20 0 CGADHM O=C(CC/C=C/c1ccccc1)[N-]OC/C=C/Cl ZINC000812408663 617801279 /nfs/dbraw/zinc/80/12/79/617801279.db2.gz RQLKAYDOYUBQRU-WOARVNPXSA-N -1 3 265.740 3.280 20 0 CGADHM O=C([N-]Cc1ccccc1SC(F)(F)F)C(F)F ZINC000890857080 617883539 /nfs/dbraw/zinc/88/35/39/617883539.db2.gz PPOSZKBNNAWCNH-UHFFFAOYSA-N -1 3 285.237 3.180 20 0 CGADHM [O-]c1ccc(Cl)cc1/C=N\Cc1cscn1 ZINC000050234201 618080978 /nfs/dbraw/zinc/08/09/78/618080978.db2.gz KGVFEGXBVMTPJG-PQMHYQBVSA-N -1 3 252.726 3.121 20 0 CGADHM Cc1nc(NC[C@H]2CCCO[C@H]2c2ccccc2)cc(=O)[n-]1 ZINC000891997561 618480411 /nfs/dbraw/zinc/48/04/11/618480411.db2.gz HOLWWCKTQFAKTM-PBHICJAKSA-N -1 3 299.374 3.070 20 0 CGADHM CC(C)(C)CC(C)(C)C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000892154336 618561951 /nfs/dbraw/zinc/56/19/51/618561951.db2.gz XEDYACQYTOBBMZ-UHFFFAOYSA-N -1 3 292.305 3.224 20 0 CGADHM CC(C)(C)CC(C)(C)C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000892154336 618561959 /nfs/dbraw/zinc/56/19/59/618561959.db2.gz XEDYACQYTOBBMZ-UHFFFAOYSA-N -1 3 292.305 3.224 20 0 CGADHM Cc1ccc(CO[N-]C(=O)Cc2ccc(C)cc2)cc1 ZINC000177581776 618830538 /nfs/dbraw/zinc/83/05/38/618830538.db2.gz WDXIXSPBMBMNII-UHFFFAOYSA-N -1 3 269.344 3.094 20 0 CGADHM CCCCCC[C@@H](C)C(=O)N1CCCc2c(=O)[n-]cnc21 ZINC000893215649 619031549 /nfs/dbraw/zinc/03/15/49/619031549.db2.gz IQSSDILDAJEEFI-GFCCVEGCSA-N -1 3 291.395 3.068 20 0 CGADHM C[C@@H](CN[C@H](C)c1ncc(C(=O)[O-])s1)c1ccccc1 ZINC000314676012 619234650 /nfs/dbraw/zinc/23/46/50/619234650.db2.gz QMUDBZUUHHVPCA-WDEREUQCSA-N -1 3 290.388 3.296 20 0 CGADHM CCCC[C@H](C)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC000314709750 619235877 /nfs/dbraw/zinc/23/58/77/619235877.db2.gz WGPHOKFEWNGDQY-IUCAKERBSA-N -1 3 256.371 3.071 20 0 CGADHM O=C(Nc1ccc(O)cc1)c1cc([O-])ccc1Cl ZINC000236568973 619304591 /nfs/dbraw/zinc/30/45/91/619304591.db2.gz ITICIACBPNFUOM-UHFFFAOYSA-N -1 3 263.680 3.004 20 0 CGADHM CC1(CC(F)(F)F)CN(Cc2ccc([O-])c(F)c2)C1 ZINC000894840911 619648828 /nfs/dbraw/zinc/64/88/28/619648828.db2.gz SELRVXAXKSIWBG-UHFFFAOYSA-N -1 3 277.261 3.306 20 0 CGADHM Cc1c(NCc2ccc([O-])c(F)c2)n[nH]c1C(C)C ZINC000895107907 619732707 /nfs/dbraw/zinc/73/27/07/619732707.db2.gz GJCUYECCNSEURU-UHFFFAOYSA-N -1 3 263.316 3.298 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)CCCOc1ccc(F)cc1 ZINC000794870075 619778601 /nfs/dbraw/zinc/77/86/01/619778601.db2.gz KLUCBLYWEHWDNG-GFCCVEGCSA-N -1 3 283.343 3.079 20 0 CGADHM C[C@H](CC(=O)[N-]OCc1ccccn1)CC(C)(C)C ZINC000909526817 619871546 /nfs/dbraw/zinc/87/15/46/619871546.db2.gz RFYVLIUFBTZKKA-GFCCVEGCSA-N -1 3 264.369 3.092 20 0 CGADHM CC(C)Cc1ccc(CC(=O)[N-]OCc2ccccn2)cc1 ZINC000909527512 619873762 /nfs/dbraw/zinc/87/37/62/619873762.db2.gz FDERDTUSORBLLC-UHFFFAOYSA-N -1 3 298.386 3.071 20 0 CGADHM CC(C)=C(C)CC(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC000897004257 620117734 /nfs/dbraw/zinc/11/77/34/620117734.db2.gz FIZMOIFZFGTINQ-UHFFFAOYSA-N -1 3 274.324 3.058 20 0 CGADHM [O-]c1ccc(F)c(CN[C@H]2CCCc3cccnc32)c1F ZINC000897072296 620135188 /nfs/dbraw/zinc/13/51/88/620135188.db2.gz JNGFJYDLCIBKRM-ZDUSSCGKSA-N -1 3 290.313 3.233 20 0 CGADHM O=C(CCCCc1ccccc1)[N-]OCc1cccnc1 ZINC000897150724 620151988 /nfs/dbraw/zinc/15/19/88/620151988.db2.gz SQPGYFVUHVDRBW-UHFFFAOYSA-N -1 3 284.359 3.042 20 0 CGADHM C[C@@H](C(=O)[O-])N(C)Cc1cc(C(F)(F)F)ccc1Cl ZINC000263412994 620316603 /nfs/dbraw/zinc/31/66/03/620316603.db2.gz MCSJMUIYZNCENU-ZETCQYMHSA-N -1 3 295.688 3.264 20 0 CGADHM O=C(CC(F)(F)C(F)F)Nc1ccc(Cl)cc1[O-] ZINC000901220610 620840661 /nfs/dbraw/zinc/84/06/61/620840661.db2.gz AQTXDRHMQHIHHE-UHFFFAOYSA-N -1 3 285.624 3.275 20 0 CGADHM CC1(C)CC[C@H](CC(=O)Nc2cccc([O-])c2F)OC1 ZINC000901243644 620845318 /nfs/dbraw/zinc/84/53/18/620845318.db2.gz MKSXVRQTAMKKIW-SNVBAGLBSA-N -1 3 281.327 3.065 20 0 CGADHM Cc1ccc2cc(CN3CCC(CC(=O)[O-])CC3)[nH]c2c1 ZINC000901419281 620882361 /nfs/dbraw/zinc/88/23/61/620882361.db2.gz YFTMMVCWODJCBZ-UHFFFAOYSA-N -1 3 286.375 3.163 20 0 CGADHM CC[C@@](NCc1ccccc1OC)(C(=O)[O-])c1ccccc1 ZINC000901653992 620967925 /nfs/dbraw/zinc/96/79/25/620967925.db2.gz WICCDAZCQMEZLP-SFHVURJKSA-N -1 3 299.370 3.175 20 0 CGADHM O=C([O-])c1ccc2c(c1)CCN(Cc1cccs1)C2 ZINC000901669283 620975753 /nfs/dbraw/zinc/97/57/53/620975753.db2.gz OLUVZYPRMHTGQC-UHFFFAOYSA-N -1 3 273.357 3.005 20 0 CGADHM CCc1cccc(CN[C@H](C(=O)[O-])c2cccc(OC)c2)c1 ZINC000901753826 621012581 /nfs/dbraw/zinc/01/25/81/621012581.db2.gz HKMUJUDCJHAEKO-KRWDZBQOSA-N -1 3 299.370 3.173 20 0 CGADHM COc1cc(CNCc2csc(C(=O)[O-])c2)ccc1C ZINC000902169932 621183421 /nfs/dbraw/zinc/18/34/21/621183421.db2.gz SFKSSQBATNXCPY-UHFFFAOYSA-N -1 3 291.372 3.053 20 0 CGADHM Cc1ccc(C(=O)N2C[C@H]3C[C@@]3(c3ccccc3)C2)c([O-])c1 ZINC000927302546 621189869 /nfs/dbraw/zinc/18/98/69/621189869.db2.gz JNVCMWOGSNKJNN-BEFAXECRSA-N -1 3 293.366 3.114 20 0 CGADHM Cc1oc(C(=O)[O-])cc1CNC(C)(C)c1cccs1 ZINC000902260728 621214148 /nfs/dbraw/zinc/21/41/48/621214148.db2.gz ZLQOTGZLDXGDLI-UHFFFAOYSA-N -1 3 279.361 3.373 20 0 CGADHM COc1cccc(CNCc2csc(C(=O)[O-])c2)c1C ZINC000902298517 621243964 /nfs/dbraw/zinc/24/39/64/621243964.db2.gz RZSVJYCSNXRYHQ-UHFFFAOYSA-N -1 3 291.372 3.053 20 0 CGADHM Cc1cnc(CN[C@H](C)CCCC(C)(C)C(=O)[O-])s1 ZINC000902324383 621262339 /nfs/dbraw/zinc/26/23/39/621262339.db2.gz NOTLCPDJERUJPQ-SNVBAGLBSA-N -1 3 284.425 3.211 20 0 CGADHM CCO[C@H]1C[C@H](NCc2cc(C(=O)[O-])co2)C1(CC)CC ZINC000902395043 621303559 /nfs/dbraw/zinc/30/35/59/621303559.db2.gz BSZKKUVHQBJMLY-KBPBESRZSA-N -1 3 295.379 3.051 20 0 CGADHM O=C([O-])c1coc(CN[C@H]2C[C@H](c3cccc(F)c3)C2)c1 ZINC000902453172 621331642 /nfs/dbraw/zinc/33/16/42/621331642.db2.gz QHRSILLWWNMCCV-YEORSEQZSA-N -1 3 289.306 3.153 20 0 CGADHM CCC(CC)(CNCc1cc(C(=O)[O-])co1)C(F)(F)F ZINC000902494307 621343829 /nfs/dbraw/zinc/34/38/29/621343829.db2.gz HQEYKXXFLYTTAW-UHFFFAOYSA-N -1 3 293.285 3.436 20 0 CGADHM Cc1cc(CN2C[C@@H]3C[C@]3(c3ccccc3)C2)oc1C(=O)[O-] ZINC000902549827 621373214 /nfs/dbraw/zinc/37/32/14/621373214.db2.gz QDHOTQNCNFOYJE-KBXCAEBGSA-N -1 3 297.354 3.060 20 0 CGADHM Cc1c2ccccc2nc(CN(C)CCCF)c1C(=O)[O-] ZINC000903625353 621777103 /nfs/dbraw/zinc/77/71/03/621777103.db2.gz KHZRVFKIIVUHCL-UHFFFAOYSA-N -1 3 290.338 3.033 20 0 CGADHM COc1ccsc1CN[C@@H](CC(=O)[O-])c1cccs1 ZINC000904004315 621853083 /nfs/dbraw/zinc/85/30/83/621853083.db2.gz BVAIAVZMZPZEEB-VIFPVBQESA-N -1 3 297.401 3.124 20 0 CGADHM O=C([O-])[C@H]1CCCN(Cc2ccc(C(F)F)c(F)c2)C1 ZINC000904250110 621891944 /nfs/dbraw/zinc/89/19/44/621891944.db2.gz YGILJWLBJPGVBY-JTQLQIEISA-N -1 3 287.281 3.060 20 0 CGADHM CC[C@]1(C(=O)[O-])CCCN(Cc2cnc(Cl)c(C)c2)C1 ZINC000904402650 621917952 /nfs/dbraw/zinc/91/79/52/621917952.db2.gz ZCRNSEYUYORCIY-HNNXBMFYSA-N -1 3 296.798 3.120 20 0 CGADHM Cc1oc(CNC2(C)C(C)(C)C2(C)C)cc1C(=O)[O-] ZINC000905810700 622113179 /nfs/dbraw/zinc/11/31/79/622113179.db2.gz OSPJQZAODQILQC-UHFFFAOYSA-N -1 3 265.353 3.201 20 0 CGADHM CCCCC[C@H](C)[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000013938680 622331549 /nfs/dbraw/zinc/33/15/49/622331549.db2.gz RQIIIEHUTGJGJQ-JTQLQIEISA-N -1 3 291.363 3.212 20 0 CGADHM Cc1nnsc1[C@@H](C)OC(=O)c1cc2ccsc2[n-]1 ZINC000908768330 622372771 /nfs/dbraw/zinc/37/27/71/622372771.db2.gz SZQDEVWXOUYZRB-SSDOTTSWSA-N -1 3 293.373 3.307 20 0 CGADHM COc1cccc([O-])c1C(=O)N1CC[C@H](C2CCCC2)C1 ZINC000911182844 622524898 /nfs/dbraw/zinc/52/48/98/622524898.db2.gz VSHRWTWAXUZTJB-ZDUSSCGKSA-N -1 3 289.375 3.053 20 0 CGADHM CCCC[C@@H](CC)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000913358353 622762025 /nfs/dbraw/zinc/76/20/25/622762025.db2.gz FVCGNZZDGOBCOQ-LLVKDONJSA-N -1 3 287.367 3.022 20 0 CGADHM CCCC[C@@H](CC)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000913358353 622762032 /nfs/dbraw/zinc/76/20/32/622762032.db2.gz FVCGNZZDGOBCOQ-LLVKDONJSA-N -1 3 287.367 3.022 20 0 CGADHM C[C@H](OC(=O)c1ccc([O-])cc1)c1ccccc1F ZINC000060786972 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/nfs/dbraw/zinc/37/89/63/624378963.db2.gz JSGXIDFNBFFSFV-UHFFFAOYSA-N -1 3 264.227 3.027 20 0 CGADHM O=C(Cc1ccc2c(c1)CCC2)[N-]OCc1ccc(F)cc1 ZINC000184211020 625211234 /nfs/dbraw/zinc/21/12/34/625211234.db2.gz TTZJIQUZGBWMMH-UHFFFAOYSA-N -1 3 299.345 3.105 20 0 CGADHM C[C@@H](CC(=O)Nc1ccc(Cl)cc1[O-])C1CC1 ZINC000754488483 626573083 /nfs/dbraw/zinc/57/30/83/626573083.db2.gz QBNUNVDUXQOWIB-QMMMGPOBSA-N -1 3 253.729 3.420 20 0 CGADHM O=C([O-])c1ccc(CNC/C=C/c2ccc(F)cc2F)o1 ZINC000756284755 626689053 /nfs/dbraw/zinc/68/90/53/626689053.db2.gz CSIAREPVIHWTSC-OWOJBTEDSA-N -1 3 293.269 3.059 20 0 CGADHM C[C@@H](OC(=O)c1cc2ccsc2[n-]1)C(=O)OC(C)(C)C ZINC000762771797 627123389 /nfs/dbraw/zinc/12/33/89/627123389.db2.gz NGWBIFZGYWHDHZ-MRVPVSSYSA-N -1 3 295.360 3.116 20 0 CGADHM Cc1ccc(-c2cc(C(=O)O[C@H](C)C(C)C)n[n-]2)o1 ZINC000763548460 627166383 /nfs/dbraw/zinc/16/63/83/627166383.db2.gz OBQWPSNJBNXTPX-SNVBAGLBSA-N -1 3 262.309 3.179 20 0 CGADHM Cc1ccc(-c2cc(C(=O)O[C@H](C)C(C)C)[n-]n2)o1 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ZINC000774870234 628045215 /nfs/dbraw/zinc/04/52/15/628045215.db2.gz XZELIIAQLHAGGR-UHFFFAOYSA-N -1 3 261.365 3.145 20 0 CGADHM Cc1nc2ccccc2c(C)c1CC(=O)[N-]OC1CCCC1 ZINC000774876842 628047165 /nfs/dbraw/zinc/04/71/65/628047165.db2.gz ZSAFWBNCHUNLNW-UHFFFAOYSA-N -1 3 298.386 3.385 20 0 CGADHM O=C(CCc1ccc2[nH]ccc2c1)[N-]OC1CCCC1 ZINC000775801314 628138345 /nfs/dbraw/zinc/13/83/45/628138345.db2.gz RDKUEERCAPWNES-UHFFFAOYSA-N -1 3 272.348 3.091 20 0 CGADHM O=C(COC(=O)c1cccc(Cl)c1[O-])C1CCCCC1 ZINC000775932357 628150626 /nfs/dbraw/zinc/15/06/26/628150626.db2.gz HMEZBRPBRZYVHN-UHFFFAOYSA-N -1 3 296.750 3.352 20 0 CGADHM O=C(CCCOc1ccccc1)[N-]OC1CCCCC1 ZINC000777949988 628313784 /nfs/dbraw/zinc/31/37/84/628313784.db2.gz PPLFDYACLXZATN-UHFFFAOYSA-N -1 3 277.364 3.226 20 0 CGADHM Cc1ccc(C(=O)NOC2CCCCC2)c([O-])c1C ZINC000779321667 628407682 /nfs/dbraw/zinc/40/76/82/628407682.db2.gz LDRLUGJOTYFIPH-UHFFFAOYSA-N -1 3 263.337 3.003 20 0 CGADHM CCCCCC(C)(C)C[N-]S(=O)(=O)c1ccco1 ZINC000782469359 628648596 /nfs/dbraw/zinc/64/85/96/628648596.db2.gz ISBONHJOSVHFLL-UHFFFAOYSA-N -1 3 273.398 3.164 20 0 CGADHM C/C(=C/c1ccc(C)cc1)C(=O)Nc1ncccc1[O-] ZINC000783646339 628735263 /nfs/dbraw/zinc/73/52/63/628735263.db2.gz RUBPGYGHBCOGDY-BENRWUELSA-N -1 3 268.316 3.138 20 0 CGADHM CC(=O)Nc1cccc(COC(=O)c2cc3occc3[n-]2)c1 ZINC000786030694 628909048 /nfs/dbraw/zinc/90/90/48/628909048.db2.gz WLDUBUDQYPIZHQ-UHFFFAOYSA-N -1 3 298.298 3.076 20 0 CGADHM COC[C@H](OC(=O)c1cc2cc(Cl)sc2[n-]1)C1CC1 ZINC000810636754 628951606 /nfs/dbraw/zinc/95/16/06/628951606.db2.gz BGJMWLVSFPRPOG-JTQLQIEISA-N -1 3 299.779 3.465 20 0 CGADHM Cc1cc(=O)[n-]c(CN2CC(C)(C)[C@@H]2c2cccs2)n1 ZINC000805839270 629013468 /nfs/dbraw/zinc/01/34/68/629013468.db2.gz CGRCFWHSZGVVJP-AWEZNQCLSA-N -1 3 289.404 3.135 20 0 CGADHM CC[C@H](C)OC(=O)CCCc1ccc([O-])c(F)c1 ZINC000787841975 629032251 /nfs/dbraw/zinc/03/22/51/629032251.db2.gz CYEFTHQELOEODN-JTQLQIEISA-N -1 3 254.301 3.196 20 0 CGADHM COC(C)(C)CCOC(=O)CCCc1ccc([O-])c(F)c1 ZINC000787849653 629032564 /nfs/dbraw/zinc/03/25/64/629032564.db2.gz YKZPIGQPPLBECW-UHFFFAOYSA-N -1 3 298.354 3.212 20 0 CGADHM C[C@@H]1CCN(C(=O)c2cc3sccc3c([O-])c2)C1 ZINC000791381361 629271300 /nfs/dbraw/zinc/27/13/00/629271300.db2.gz URLGADFTUUSWMP-SECBINFHSA-N -1 3 261.346 3.089 20 0 CGADHM O=C(NCc1ncccc1[O-])Nc1ccc2ccccc2c1 ZINC000791689314 629295974 /nfs/dbraw/zinc/29/59/74/629295974.db2.gz KCGNUUPHRAKULS-UHFFFAOYSA-N -1 3 293.326 3.262 20 0 CGADHM CCOCCO[N-]C(=O)CC(C)(C)C1CCCCC1 ZINC000793842328 629505135 /nfs/dbraw/zinc/50/51/35/629505135.db2.gz DUDGBRYERZEFGM-UHFFFAOYSA-N -1 3 271.401 3.067 20 0 CGADHM CSCCO[N-]C(=O)CC1CCC(C)(C)CC1 ZINC000794183465 629520263 /nfs/dbraw/zinc/52/02/63/629520263.db2.gz KMJIJJVQDCSXEJ-UHFFFAOYSA-N -1 3 259.415 3.004 20 0 CGADHM CSCCO[N-]C(=O)[C@H](C)CCCc1ccccc1 ZINC000794189561 629521108 /nfs/dbraw/zinc/52/11/08/629521108.db2.gz CWFJBNMESSCZHI-CYBMUJFWSA-N -1 3 281.421 3.056 20 0 CGADHM O=C(NCCCCF)c1cc2sccc2c([O-])c1 ZINC000794430761 629542060 /nfs/dbraw/zinc/54/20/60/629542060.db2.gz NPIROOKWTLDKNL-UHFFFAOYSA-N -1 3 267.325 3.086 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)CCSc1ccc(OC)cc1 ZINC000794854051 629588656 /nfs/dbraw/zinc/58/86/56/629588656.db2.gz UEWZYKOTDGFIHD-GFCCVEGCSA-N -1 3 297.420 3.271 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)CCCc1ccc(F)c(F)c1 ZINC000794871645 629592386 /nfs/dbraw/zinc/59/23/86/629592386.db2.gz RHRNDGLZLGCNJV-NSHDSACASA-N -1 3 285.334 3.381 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)CCc1ccc(Cl)s1 ZINC000794875556 629593018 /nfs/dbraw/zinc/59/30/18/629593018.db2.gz NJHXZJHVOUZZDL-VIFPVBQESA-N -1 3 275.801 3.428 20 0 CGADHM O=C(C[C@H]1CCC(F)(F)C1)[N-]OC1CCCCC1 ZINC000797993594 630013309 /nfs/dbraw/zinc/01/33/09/630013309.db2.gz AJRYWMQMZJBEKQ-SNVBAGLBSA-N -1 3 261.312 3.192 20 0 CGADHM CC(C)(C)c1nc(C=Cc2cn(C3CC3)cn2)cc(=O)[n-]1 ZINC000865223186 630029580 /nfs/dbraw/zinc/02/95/80/630029580.db2.gz FACMNBFUHPIGII-SNAWJCMRSA-N -1 3 284.363 3.182 20 0 CGADHM COc1ccccc1CO[N-]C(=O)CCC(C)(C)C ZINC000799092169 630141123 /nfs/dbraw/zinc/14/11/23/630141123.db2.gz DIVLNDFDTFYBEF-UHFFFAOYSA-N -1 3 265.353 3.069 20 0 CGADHM CCc1cccc(C(=O)Nc2nccc3ccncc32)c1[O-] ZINC000802615314 630400659 /nfs/dbraw/zinc/40/06/59/630400659.db2.gz PZZLTWYITNEEKF-UHFFFAOYSA-N -1 3 293.326 3.150 20 0 CGADHM C[C@@H](Cn1ccc2ccccc21)C(=O)[N-]OC1CCCC1 ZINC000803029664 630444627 /nfs/dbraw/zinc/44/46/27/630444627.db2.gz BPXJKGUZZQBLBE-ZDUSSCGKSA-N -1 3 286.375 3.268 20 0 CGADHM O=C(O[C@H]1CCc2cc(Cl)ccc21)c1cncc([O-])c1 ZINC000803347947 630466289 /nfs/dbraw/zinc/46/62/89/630466289.db2.gz UYQWDQUBBQZTNA-AWEZNQCLSA-N -1 3 289.718 3.285 20 0 CGADHM CON(C[C@@H]1CCC[C@H](C)C1)[C@@H](C)c1nc(C)cc(=O)[n-]1 ZINC000810139019 630843366 /nfs/dbraw/zinc/84/33/66/630843366.db2.gz HCLBQTAOUOKPPE-FPMFFAJLSA-N -1 3 293.411 3.241 20 0 CGADHM CCCOCCOC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000810577040 630896959 /nfs/dbraw/zinc/89/69/59/630896959.db2.gz YOCXGOMAAPZTSB-UHFFFAOYSA-N -1 3 287.768 3.466 20 0 CGADHM CN(OCc1ccccc1)C(=O)c1cc([O-])ccc1Cl ZINC000810696155 630929878 /nfs/dbraw/zinc/92/98/78/630929878.db2.gz OKTVQMIJJYQHOL-UHFFFAOYSA-N -1 3 291.734 3.249 20 0 CGADHM O=C(CCCc1ccccc1Cl)[N-]OC1CCC1 ZINC000812787552 631308198 /nfs/dbraw/zinc/30/81/98/631308198.db2.gz XBCYNSFKLDPNQO-UHFFFAOYSA-N -1 3 267.756 3.263 20 0 CGADHM Cc1conc1[N-]C(=O)c1cc(F)c(Cl)nc1Cl ZINC000813376400 631417711 /nfs/dbraw/zinc/41/77/11/631417711.db2.gz KXVZOQAJMBPBJW-UHFFFAOYSA-N -1 3 290.081 3.076 20 0 CGADHM CC(C)(C)C(C)(C)C(=O)[N-]OCCC(F)(F)F ZINC000816211864 631901592 /nfs/dbraw/zinc/90/15/92/631901592.db2.gz UJZQCQXIIBLMFZ-UHFFFAOYSA-N -1 3 255.280 3.059 20 0 CGADHM O=C([N-]C[C@H]1CCCCC(F)(F)C1)C(F)(F)C(F)F ZINC000816789120 632051175 /nfs/dbraw/zinc/05/11/75/632051175.db2.gz HDMZXHDEWLXBLI-ZETCQYMHSA-N -1 3 291.235 3.219 20 0 CGADHM CCCc1ccc(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC000816833713 632055437 /nfs/dbraw/zinc/05/54/37/632055437.db2.gz RLGXVSBOEGWQHX-UHFFFAOYSA-N -1 3 297.358 3.264 20 0 CGADHM C[C@H]1C[C@@H]1c1ccc(CCC(=O)[N-]OCCC2CC2)o1 ZINC000817387885 632135888 /nfs/dbraw/zinc/13/58/88/632135888.db2.gz ILVARAKXZAQCKH-FZMZJTMJSA-N -1 3 277.364 3.184 20 0 CGADHM CC=C(C=CC(=O)Nc1[nH][n-]c2cc(=O)ccc1-2)CC ZINC000820213949 632590233 /nfs/dbraw/zinc/59/02/33/632590233.db2.gz SWLINKAQQPCSIV-IKJNXXLOSA-N -1 3 271.320 3.120 20 0 CGADHM O=C(Nc1c([O-])cccc1Cl)c1cnn(C2CCC2)c1 ZINC000820559264 632646641 /nfs/dbraw/zinc/64/66/41/632646641.db2.gz WBXKTWQKAPMHFI-UHFFFAOYSA-N -1 3 291.738 3.219 20 0 CGADHM CCC(F)(F)C(=O)[N-]Cc1c(F)cccc1Cl ZINC000821027946 632714093 /nfs/dbraw/zinc/71/40/93/632714093.db2.gz JHKDAWRGXLQVHX-UHFFFAOYSA-N -1 3 265.662 3.141 20 0 CGADHM CC(C)(C)c1nc(C(=O)Nc2cc(F)ccc2[O-])co1 ZINC000821344315 632755486 /nfs/dbraw/zinc/75/54/86/632755486.db2.gz QIPQLQJPDDOHLY-UHFFFAOYSA-N -1 3 278.283 3.069 20 0 CGADHM CC/C(C)=C\C(=O)Nc1ccc(Br)cc1[O-] ZINC000822495372 632949246 /nfs/dbraw/zinc/94/92/46/632949246.db2.gz HBUOQHPFNGSJFV-VURMDHGXSA-N -1 3 284.153 3.450 20 0 CGADHM C/C(=C/C1CCC(C)CC1)C(=O)NCc1ncccc1[O-] ZINC000867917752 633278025 /nfs/dbraw/zinc/27/80/25/633278025.db2.gz QMZIVEWKWPCKRY-RAXLEYEMSA-N -1 3 288.391 3.176 20 0 CGADHM CCC(F)(F)C(=O)[N-][C@H](c1nccs1)c1ccccc1 ZINC000826123140 633407584 /nfs/dbraw/zinc/40/75/84/633407584.db2.gz HNZKBVZKJMKERK-NSHDSACASA-N -1 3 296.342 3.394 20 0 CGADHM Cc1c(N[C@H](C)Cc2ccsc2)cccc1-c1nnn[n-]1 ZINC000826242306 633409316 /nfs/dbraw/zinc/40/93/16/633409316.db2.gz JKHTVDWVSGKYHN-SNVBAGLBSA-N -1 3 299.403 3.280 20 0 CGADHM Cc1c(N[C@H](C)Cc2ccsc2)cccc1-c1nn[n-]n1 ZINC000826242306 633409324 /nfs/dbraw/zinc/40/93/24/633409324.db2.gz JKHTVDWVSGKYHN-SNVBAGLBSA-N -1 3 299.403 3.280 20 0 CGADHM COCc1csc(CNCc2c(F)ccc([O-])c2F)c1 ZINC000827237177 633473502 /nfs/dbraw/zinc/47/35/02/633473502.db2.gz NDOMNHYJBIEIIB-UHFFFAOYSA-N -1 3 299.342 3.168 20 0 CGADHM COc1cccc(CNCc2c(F)ccc([O-])c2F)c1C ZINC000827779852 633516634 /nfs/dbraw/zinc/51/66/34/633516634.db2.gz PIGBHIBFQNWBGF-UHFFFAOYSA-N -1 3 293.313 3.277 20 0 CGADHM Cc1cncc([C@H]2CCCN2C(=O)c2ccccc2[O-])c1 ZINC000830496453 633867842 /nfs/dbraw/zinc/86/78/42/633867842.db2.gz VJZWXHQKIRXDLI-OAHLLOKOSA-N -1 3 282.343 3.073 20 0 CGADHM CCn1ccnc1[C@H](C)N[C@H](C)c1cccc([O-])c1F ZINC000872076249 633999159 /nfs/dbraw/zinc/99/91/59/633999159.db2.gz KGYRSZOHDLTTDT-MNOVXSKESA-N -1 3 277.343 3.160 20 0 CGADHM C[C@H](N[C@@H]1C[C@@H](C)n2ccnc21)c1cccc([O-])c1F ZINC000872076853 634000711 /nfs/dbraw/zinc/00/07/11/634000711.db2.gz UNQQBPLVIWTVSF-JFGNBEQYSA-N -1 3 275.327 3.084 20 0 CGADHM Cc1ccc(CN2C[C@@H](C)S[C@H](C)C2)cc1C(=O)[O-] ZINC000872157108 634068011 /nfs/dbraw/zinc/06/80/11/634068011.db2.gz KKIUOVODSMNKGU-VXGBXAGGSA-N -1 3 279.405 3.019 20 0 CGADHM CC1(C(=O)OCc2cc(=O)[n-]c(-c3ccccc3)n2)CCC1 ZINC000837563824 634935438 /nfs/dbraw/zinc/93/54/38/634935438.db2.gz DKFDNIWSYGWKKP-UHFFFAOYSA-N -1 3 298.342 3.083 20 0 CGADHM COC1(COC(=O)c2cc3sccc3c([O-])c2)CCC1 ZINC000837685391 634965045 /nfs/dbraw/zinc/96/50/45/634965045.db2.gz SFZFITGJWZDWML-UHFFFAOYSA-N -1 3 292.356 3.333 20 0 CGADHM C[C@H]1CC2(CN1Cc1c(F)ccc([O-])c1F)CCOCC2 ZINC000843430873 635673475 /nfs/dbraw/zinc/67/34/75/635673475.db2.gz HPNUDMXDPHCZSR-NSHDSACASA-N -1 3 297.345 3.061 20 0 CGADHM CC/C=C/CCOC(=O)c1ccc(N)c(Cl)c1[O-] ZINC000845194491 636013739 /nfs/dbraw/zinc/01/37/39/636013739.db2.gz ZQZIHGRADSIKFQ-ONEGZZNKSA-N -1 3 269.728 3.141 20 0 CGADHM C/C(=C\CN1CCC(c2cccc(F)c2F)CC1)C(=O)[O-] ZINC000846261436 636168546 /nfs/dbraw/zinc/16/85/46/636168546.db2.gz RDPLGERIHQOJGX-VZUCSPMQSA-N -1 3 295.329 3.175 20 0 CGADHM CCN(C(=O)c1cc([O-])c2ccccc2c1)[C@@H]1CCCOC1 ZINC000846446824 636185778 /nfs/dbraw/zinc/18/57/78/636185778.db2.gz QZHWFSPMQASOBC-OAHLLOKOSA-N -1 3 299.370 3.187 20 0 CGADHM CC(C)(C)c1coc([N-]C(=O)c2nc(Cl)cs2)n1 ZINC000847101786 636337515 /nfs/dbraw/zinc/33/75/15/636337515.db2.gz GAOWTRBHRBUCJB-UHFFFAOYSA-N -1 3 285.756 3.334 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])c1cc2occc2[nH]1 ZINC000133244185 636886854 /nfs/dbraw/zinc/88/68/54/636886854.db2.gz LKVAFAUUVNQZCD-UHFFFAOYSA-N -1 3 276.679 3.372 20 0 CGADHM Cc1ccc(C(=O)COC(=O)c2ccc([O-])cc2)cc1C ZINC000008524058 637720156 /nfs/dbraw/zinc/72/01/56/637720156.db2.gz OZVPMKVVTLSIQR-UHFFFAOYSA-N -1 3 284.311 3.049 20 0 CGADHM CCOC(=O)Cc1cccc(-c2ccc(=O)[n-]c2F)c1C ZINC000854189761 638013083 /nfs/dbraw/zinc/01/30/83/638013083.db2.gz PDSUXPXNZKQXOH-UHFFFAOYSA-N -1 3 289.306 3.007 20 0 CGADHM COc1ccc(-c2ccc(=O)[n-]c2F)cc1N1CCCC1 ZINC000854189979 638013422 /nfs/dbraw/zinc/01/34/22/638013422.db2.gz SIKZVUYXNVBNKA-UHFFFAOYSA-N -1 3 288.322 3.202 20 0 CGADHM CC(C)O[N-]C(=O)Cc1ccc(OCc2ccccc2)cc1 ZINC000854753826 638099347 /nfs/dbraw/zinc/09/93/47/638099347.db2.gz HPESWHLYKJMPAK-UHFFFAOYSA-N -1 3 299.370 3.264 20 0 CGADHM CCc1noc(C)c1[N-]C(=O)c1ncsc1C1CC1 ZINC000889705450 638103003 /nfs/dbraw/zinc/10/30/03/638103003.db2.gz VBBFYZVDTDHENX-UHFFFAOYSA-N -1 3 277.349 3.132 20 0 CGADHM CC(C)[C@H]1CC[C@@H](C)C[C@H]1[N-]C(=O)C(F)(F)F ZINC000112826012 638126398 /nfs/dbraw/zinc/12/63/98/638126398.db2.gz FUDXGWRSPBTVDO-OPRDCNLKSA-N -1 3 251.292 3.126 20 0 CGADHM O=C(NCC1=CCCC1)c1cc2sccc2c([O-])c1 ZINC000856096875 638300269 /nfs/dbraw/zinc/30/02/69/638300269.db2.gz RSKUSLWAGYZXEA-UHFFFAOYSA-N -1 3 273.357 3.447 20 0 CGADHM COc1ccc([C@@H]2C[C@H]2CC(=O)[N-]OCC2CCC2)cc1 ZINC000856341563 638345124 /nfs/dbraw/zinc/34/51/24/638345124.db2.gz FLSHLNRHIANMNC-HOCLYGCPSA-N -1 3 289.375 3.037 20 0 CGADHM COc1ccc([C@H](C)CC(=O)[N-]OCC2CCC2)cc1 ZINC000856347814 638347382 /nfs/dbraw/zinc/34/73/82/638347382.db2.gz DSTFWNYZJLBXAY-GFCCVEGCSA-N -1 3 277.364 3.037 20 0 CGADHM O=C([N-]OC1CCCC1)c1c(F)ccc(F)c1Cl ZINC000857170783 638466036 /nfs/dbraw/zinc/46/60/36/638466036.db2.gz UTSKGXORHZNDFZ-UHFFFAOYSA-N -1 3 275.682 3.222 20 0 CGADHM CCOc1ccc(NC(=O)c2[n-]cnc2C(F)(F)F)cc1 ZINC000857428806 638505703 /nfs/dbraw/zinc/50/57/03/638505703.db2.gz GQUKOMMIBMHXBT-UHFFFAOYSA-N -1 3 299.252 3.080 20 0 CGADHM CCOc1ccc(NC(=O)c2nc[n-]c2C(F)(F)F)cc1 ZINC000857428806 638505704 /nfs/dbraw/zinc/50/57/04/638505704.db2.gz GQUKOMMIBMHXBT-UHFFFAOYSA-N -1 3 299.252 3.080 20 0 CGADHM C[C@H](NC1(c2ncccn2)CCC1)c1cc([O-])cc(F)c1 ZINC000926850549 638817300 /nfs/dbraw/zinc/81/73/00/638817300.db2.gz GBJHMCCEIFQZLB-NSHDSACASA-N -1 3 287.338 3.051 20 0 CGADHM CCNc1nc(C(=O)[N-]c2c(C)noc2C(C)C)cs1 ZINC000928782055 638891496 /nfs/dbraw/zinc/89/14/96/638891496.db2.gz IGRLMSASYCCAIM-UHFFFAOYSA-N -1 3 294.380 3.247 20 0 CGADHM CCc1ccc(N(CC(C)C)C(=O)c2cc(=O)[n-]cn2)cc1 ZINC000861462721 639586180 /nfs/dbraw/zinc/58/61/80/639586180.db2.gz ZQGGQUIAQQLQIE-UHFFFAOYSA-N -1 3 299.374 3.047 20 0 CGADHM O=C([N-]OC/C=C\Cl)[C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21 ZINC000861783738 639614289 /nfs/dbraw/zinc/61/42/89/639614289.db2.gz YWSJDYLWUPPFKN-CBALSRTRSA-N -1 3 298.169 3.026 20 0 CGADHM CC(C)[C@H]1C[C@H](C(=O)Nc2cc(Cl)ccc2[O-])CCO1 ZINC000935015693 639731680 /nfs/dbraw/zinc/73/16/80/639731680.db2.gz ANBYIAJDJOXKGS-QMTHXVAHSA-N -1 3 297.782 3.435 20 0 CGADHM Cc1csc(CNCc2ccc([O-])c(Cl)c2)n1 ZINC000043488381 639929778 /nfs/dbraw/zinc/92/97/78/639929778.db2.gz YMNWNGFWZITAMV-UHFFFAOYSA-N -1 3 268.769 3.100 20 0 CGADHM CC1(C)CC[C@H](C/N=C/c2cc(Cl)ccc2[O-])O1 ZINC000189354099 640188592 /nfs/dbraw/zinc/18/85/92/640188592.db2.gz GJLNNJOCBSKNSM-GGNJANJASA-N -1 3 267.756 3.422 20 0 CGADHM CCc1cc(O)ccc1NC(=O)c1cccc(C)c1[O-] ZINC000191099309 640289588 /nfs/dbraw/zinc/28/95/88/640289588.db2.gz XLPITCZSKMQEHI-UHFFFAOYSA-N -1 3 271.316 3.221 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2ccc(O)cc2C)c1 ZINC000093095961 640755349 /nfs/dbraw/zinc/75/53/49/640755349.db2.gz QOTGOHHWNAHAIF-UHFFFAOYSA-N -1 3 271.316 3.221 20 0 CGADHM COc1ccc2ccccc2c1CC[N-]C(=O)C(F)(F)F ZINC000000005996 640913837 /nfs/dbraw/zinc/91/38/37/640913837.db2.gz CEXZFTGEZOJWOK-UHFFFAOYSA-N -1 3 297.276 3.069 20 0 CGADHM CCc1ccc(C(=O)NC[C@@H](C)C(C)(C)C)c([O-])c1 ZINC001155556394 805590965 /nfs/dbraw/zinc/59/09/65/805590965.db2.gz VNFWUZOGDWZZFK-LLVKDONJSA-N -1 3 263.381 3.367 20 0 CGADHM CCc1cc(-c2nc3c([n-]2)c(F)c(F)cc3F)on1 ZINC001250446843 805623143 /nfs/dbraw/zinc/62/31/43/805623143.db2.gz ZCRHNROXFFJHQX-UHFFFAOYSA-N -1 3 267.210 3.198 20 0 CGADHM CCc1cc(-c2nc3c([n-]2)c(F)cc(F)c3F)on1 ZINC001250446843 805623147 /nfs/dbraw/zinc/62/31/47/805623147.db2.gz ZCRHNROXFFJHQX-UHFFFAOYSA-N -1 3 267.210 3.198 20 0 CGADHM [O-]c1ccc(-c2nccc(N3CCCC3)n2)c(Cl)c1 ZINC001250502289 805659345 /nfs/dbraw/zinc/65/93/45/805659345.db2.gz SOMHXXFIBNZAOB-UHFFFAOYSA-N -1 3 275.739 3.103 20 0 CGADHM O=C(NCCCc1cccc(Cl)c1)c1ccccc1[O-] ZINC001156493425 805703598 /nfs/dbraw/zinc/70/35/98/805703598.db2.gz RTXGUMKQLZJJNA-UHFFFAOYSA-N -1 3 289.762 3.408 20 0 CGADHM O=C(Nc1cc([O-])cc(Cl)c1)c1cn2ccnc2s1 ZINC001156810354 805736700 /nfs/dbraw/zinc/73/67/00/805736700.db2.gz OQVGDIALPQQPSF-UHFFFAOYSA-N -1 3 293.735 3.007 20 0 CGADHM Cc1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1[O-] ZINC001251146012 805855619 /nfs/dbraw/zinc/85/56/19/805855619.db2.gz ACYOQBYVUOKUFJ-UHFFFAOYSA-N -1 3 297.763 3.155 20 0 CGADHM CCOc1cccc2[nH]c(-c3cccc([O-])c3F)nc21 ZINC001251255674 805872643 /nfs/dbraw/zinc/87/26/43/805872643.db2.gz TWSKDBOPGFHKPN-UHFFFAOYSA-N -1 3 272.279 3.473 20 0 CGADHM Cc1ccc(C(=O)Nc2cncc(C(C)C)c2)c([O-])c1 ZINC001157938176 805905749 /nfs/dbraw/zinc/90/57/49/805905749.db2.gz DNVMUNHWGAQASI-UHFFFAOYSA-N -1 3 270.332 3.471 20 0 CGADHM Cc1cc(Cl)c(C)c(NCc2ncccc2[O-])n1 ZINC001158773726 806001001 /nfs/dbraw/zinc/00/10/01/806001001.db2.gz ARJJUBAGDQLSCE-UHFFFAOYSA-N -1 3 263.728 3.065 20 0 CGADHM [O-]c1ccc(O)cc1-c1nnc(-c2ccc(Cl)cc2)o1 ZINC001252787461 806113492 /nfs/dbraw/zinc/11/34/92/806113492.db2.gz MOGMOLOFVYADAU-UHFFFAOYSA-N -1 3 288.690 3.468 20 0 CGADHM COc1c(F)cc(Nc2cc(=O)[n-]c(C3CC3)n2)cc1F ZINC001211673939 814929927 /nfs/dbraw/zinc/92/99/27/814929927.db2.gz CWSKBDVECDZLNP-UHFFFAOYSA-N -1 3 293.273 3.090 20 0 CGADHM CCCCC[C@H](O)CNc1ccc([O-])c(F)c1F ZINC001253544416 806246297 /nfs/dbraw/zinc/24/62/97/806246297.db2.gz MBFXZJUELQRJQR-VIFPVBQESA-N -1 3 259.296 3.024 20 0 CGADHM CC(C)[C@H](O)CNc1cc(Cl)cc(Cl)c1[O-] ZINC001253771946 806305110 /nfs/dbraw/zinc/30/51/10/806305110.db2.gz WKXMVRKUBPZIMN-SNVBAGLBSA-N -1 3 264.152 3.128 20 0 CGADHM CCCc1nnc(-c2c3ccccc3[n-]c2C(=O)OCC)o1 ZINC001253944163 806321493 /nfs/dbraw/zinc/32/14/93/806321493.db2.gz CVBQAGQWRVFXEN-UHFFFAOYSA-N -1 3 299.330 3.347 20 0 CGADHM [O-]c1cc(-c2nnc(C3CC3)o2)cc(C(F)(F)F)c1 ZINC001254120640 806346059 /nfs/dbraw/zinc/34/60/59/806346059.db2.gz ZXQZGXYIPOTYIQ-UHFFFAOYSA-N -1 3 270.210 3.338 20 0 CGADHM C[C@@H]1CCCC[C@@H]1CNc1ccccc1-c1nnn[n-]1 ZINC001162527382 806612957 /nfs/dbraw/zinc/61/29/57/806612957.db2.gz WWTDEOMAPIRJQB-VXGBXAGGSA-N -1 3 271.368 3.105 20 0 CGADHM C[C@@H]1CCCC[C@@H]1CNc1ccccc1-c1nn[n-]n1 ZINC001162527382 806612963 /nfs/dbraw/zinc/61/29/63/806612963.db2.gz WWTDEOMAPIRJQB-VXGBXAGGSA-N -1 3 271.368 3.105 20 0 CGADHM O=C(Nc1cccc(F)c1)Nc1ccc([O-])c(F)c1 ZINC000085200874 798942763 /nfs/dbraw/zinc/94/27/63/798942763.db2.gz HRPOKIKHHAFUNM-UHFFFAOYSA-N -1 3 264.231 3.314 20 0 CGADHM Cc1cccc(NC(=O)Nc2ccc([O-])c(F)c2)c1 ZINC000085200880 798942897 /nfs/dbraw/zinc/94/28/97/798942897.db2.gz WKJYJALBWTVNRY-UHFFFAOYSA-N -1 3 260.268 3.484 20 0 CGADHM O=S(=O)(CC1CCC1)[N-]c1cc(F)cc(Cl)c1 ZINC000092865245 798960574 /nfs/dbraw/zinc/96/05/74/798960574.db2.gz RZCCXWVPOLBCRB-UHFFFAOYSA-N -1 3 277.748 3.021 20 0 CGADHM CC[C@@H](C)C[C@H](N)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000400394007 799545832 /nfs/dbraw/zinc/54/58/32/799545832.db2.gz LQPZOPRUAMOFKH-KCJUWKMLSA-N -1 3 279.315 3.017 20 0 CGADHM CC[C@H](C)C[C@@H](N)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000400394003 799545956 /nfs/dbraw/zinc/54/59/56/799545956.db2.gz LQPZOPRUAMOFKH-GZMMTYOYSA-N -1 3 279.315 3.017 20 0 CGADHM CCC1(C)CCN(C(=O)c2c([O-])cccc2OC)CC1 ZINC000405201545 799582503 /nfs/dbraw/zinc/58/25/03/799582503.db2.gz CVRCVVCIHZIBMR-UHFFFAOYSA-N -1 3 277.364 3.053 20 0 CGADHM CCOC(=O)c1c(C)[n-]c(=O)nc1SC1CCCCC1 ZINC000585176302 799680313 /nfs/dbraw/zinc/68/03/13/799680313.db2.gz QNQIVSOEAUITFG-UHFFFAOYSA-N -1 3 296.392 3.092 20 0 CGADHM CO[C@@H]1CC[C@H](C)N(Cc2cccc([O-])c2Cl)C1 ZINC000687212547 799737850 /nfs/dbraw/zinc/73/78/50/799737850.db2.gz KJVYTKXLVTYOQI-CMPLNLGQSA-N -1 3 269.772 3.045 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CCCCCCCC1 ZINC000706649149 799964470 /nfs/dbraw/zinc/96/44/70/799964470.db2.gz FWYSXICMPYJYEZ-UHFFFAOYSA-N -1 3 261.365 3.497 20 0 CGADHM Cc1cccc([O-])c1C(=O)Nc1ccc(N(C)C)cc1 ZINC000706619582 799964778 /nfs/dbraw/zinc/96/47/78/799964778.db2.gz ZVSBCXXRVHSDOE-UHFFFAOYSA-N -1 3 270.332 3.019 20 0 CGADHM CCCCCc1nnc(-c2cc(OC)c(OC)cc2[O-])o1 ZINC001256137209 806832420 /nfs/dbraw/zinc/83/24/20/806832420.db2.gz SWKNVWVRESOGDE-UHFFFAOYSA-N -1 3 292.335 3.192 20 0 CGADHM C[C@H]1C[C@H]1c1nnc(-c2c([O-])cc3ccccc3c2O)o1 ZINC001256632431 806933279 /nfs/dbraw/zinc/93/32/79/806933279.db2.gz FZQMVXDNDMVTSW-GZMMTYOYSA-N -1 3 282.299 3.424 20 0 CGADHM C[C@H]1C[C@@H]1c1nnc(-c2cc3cc(O)ccc3cc2[O-])o1 ZINC001256635418 806934106 /nfs/dbraw/zinc/93/41/06/806934106.db2.gz RUEOOPVIJOSXLT-UFBFGSQYSA-N -1 3 282.299 3.424 20 0 CGADHM CN(Cc1cc2ccccc2[nH]1)C(=O)c1ccccc1[O-] ZINC001116232535 802313867 /nfs/dbraw/zinc/31/38/67/802313867.db2.gz DXPOWIXJAAJKPC-UHFFFAOYSA-N -1 3 280.327 3.146 20 0 CGADHM CC(C)(C)O[N-]C(=O)C1(CCOCc2ccccc2)CC1 ZINC001116662291 802392743 /nfs/dbraw/zinc/39/27/43/802392743.db2.gz UVTKWBMMOPLQNS-UHFFFAOYSA-N -1 3 291.391 3.220 20 0 CGADHM C[C@@H](CCNCc1csc(C(C)(C)C)n1)CC(=O)[O-] ZINC001116762791 802407762 /nfs/dbraw/zinc/40/77/62/802407762.db2.gz XSQSDUAHXWPKIC-JTQLQIEISA-N -1 3 284.425 3.031 20 0 CGADHM CCCc1ncc(C(=O)[N-]c2c(F)ccnc2F)s1 ZINC001117704409 802478804 /nfs/dbraw/zinc/47/88/04/802478804.db2.gz FLRLMZFZLCGQAH-UHFFFAOYSA-N -1 3 283.303 3.021 20 0 CGADHM CC(C)C[C@@](C)(CNCc1csc(C(C)C)n1)C(=O)[O-] ZINC001120088130 802734117 /nfs/dbraw/zinc/73/41/17/802734117.db2.gz YBZLBUFFNXGWBL-HNNXBMFYSA-N -1 3 298.452 3.493 20 0 CGADHM Cc1ccc(NC(=S)NC(C)C)c(Cl)c1[O-] ZINC001200786699 811744819 /nfs/dbraw/zinc/74/48/19/811744819.db2.gz KBAWNJNPVNZPLP-UHFFFAOYSA-N -1 3 258.774 3.049 20 0 CGADHM Cc1cc(F)ncc1-c1cc(C(F)(F)F)[n-]c(=S)n1 ZINC001243757938 802984198 /nfs/dbraw/zinc/98/41/98/802984198.db2.gz YRTTWRKMEQIDJR-UHFFFAOYSA-N -1 3 289.257 3.294 20 0 CGADHM O=C(O[C@@H]1COc2ccccc21)c1cccc(Cl)c1[O-] ZINC001127390407 803138906 /nfs/dbraw/zinc/13/89/06/803138906.db2.gz OZVRADOSMPZZSL-CYBMUJFWSA-N -1 3 290.702 3.336 20 0 CGADHM CC1(c2ccc(-c3c([O-])cccc3Cl)cn2)OCCO1 ZINC001244046383 803159657 /nfs/dbraw/zinc/15/96/57/803159657.db2.gz IAFGJJYGIJSHRN-UHFFFAOYSA-N -1 3 291.734 3.327 20 0 CGADHM Cc1ncc(C2CC2)cc1-c1cc(-c2nnn[n-]2)ccc1F ZINC001244145595 803208098 /nfs/dbraw/zinc/20/80/98/803208098.db2.gz ZEKTZZOFGYFNCJ-UHFFFAOYSA-N -1 3 295.321 3.254 20 0 CGADHM Cc1ncc(C2CC2)cc1-c1cc(-c2nn[n-]n2)ccc1F ZINC001244145595 803208099 /nfs/dbraw/zinc/20/80/99/803208099.db2.gz ZEKTZZOFGYFNCJ-UHFFFAOYSA-N -1 3 295.321 3.254 20 0 CGADHM COc1cc(F)c(-c2ccc(=S)[n-]n2)cc1Cl ZINC001244348092 803319841 /nfs/dbraw/zinc/31/98/41/803319841.db2.gz NUVBKBKZGPZQBX-UHFFFAOYSA-N -1 3 270.716 3.233 20 0 CGADHM Cc1c(C(N)=O)cccc1-c1ccc(Cl)cc1[O-] ZINC001244469645 803385336 /nfs/dbraw/zinc/38/53/36/803385336.db2.gz NWEMFZGANQZTDC-UHFFFAOYSA-N -1 3 261.708 3.120 20 0 CGADHM NC(=O)Nc1ccc(-c2ccc(Cl)cc2[O-])cc1 ZINC001244470072 803385735 /nfs/dbraw/zinc/38/57/35/803385735.db2.gz YEFVYHPBSVEGSN-UHFFFAOYSA-N -1 3 262.696 3.203 20 0 CGADHM CN1CCc2cc(-c3ccc(Cl)cc3[O-])ccc2C1=O ZINC001244472564 803388657 /nfs/dbraw/zinc/38/86/57/803388657.db2.gz LUHYRXIBBQVKTA-UHFFFAOYSA-N -1 3 287.746 3.341 20 0 CGADHM O=C1CCN1c1cccc(-c2ccc(Cl)cc2[O-])c1 ZINC001244473761 803389376 /nfs/dbraw/zinc/38/93/76/803389376.db2.gz ZEWCRSIMXBYVBZ-UHFFFAOYSA-N -1 3 273.719 3.449 20 0 CGADHM [O-]c1cccc(Nc2nccs2)c1Br ZINC001210996814 814704405 /nfs/dbraw/zinc/70/44/05/814704405.db2.gz NWWMFNIFJBSJQR-UHFFFAOYSA-N -1 3 271.139 3.355 20 0 CGADHM Cc1cc(-c2nccnc2OC(C)C)cc([O-])c1F ZINC001244506568 803410189 /nfs/dbraw/zinc/41/01/89/803410189.db2.gz HCVQYYLWOVSPCU-UHFFFAOYSA-N -1 3 262.284 3.084 20 0 CGADHM COc1ccc2c(c1)ncnc2-c1cc(C)c(F)c([O-])c1 ZINC001244507823 803411956 /nfs/dbraw/zinc/41/19/56/803411956.db2.gz ZNNLOMBNNJBOEA-UHFFFAOYSA-N -1 3 284.290 3.459 20 0 CGADHM Cc1cc(-c2cccc([C@H]3CNC(=O)C3)c2)cc([O-])c1F ZINC001244515766 803413935 /nfs/dbraw/zinc/41/39/35/803413935.db2.gz NDHHXNZAPRNJQV-CQSZACIVSA-N -1 3 285.318 3.110 20 0 CGADHM Cc1cc(-c2ccc3nccnc3c2)cc([O-])c1F ZINC001244517153 803414143 /nfs/dbraw/zinc/41/41/43/803414143.db2.gz JRQYLZFUBNJWNU-UHFFFAOYSA-N -1 3 254.264 3.450 20 0 CGADHM COc1c(F)nccc1-c1cc(C)c(F)c([O-])c1 ZINC001244517767 803414311 /nfs/dbraw/zinc/41/43/11/803414311.db2.gz NTQDTHPYENOSGZ-UHFFFAOYSA-N -1 3 251.232 3.049 20 0 CGADHM Cc1cc(-c2ccc3c(c2)CCC(=O)O3)cc([O-])c1F ZINC001244517109 803414389 /nfs/dbraw/zinc/41/43/89/803414389.db2.gz HPLPDEWLCSLFKR-UHFFFAOYSA-N -1 3 272.275 3.358 20 0 CGADHM CON(C)C(=O)c1ccccc1-c1cc(C)c(F)c([O-])c1 ZINC001244521829 803415487 /nfs/dbraw/zinc/41/54/87/803415487.db2.gz XQIRIRBJBIXKDT-UHFFFAOYSA-N -1 3 289.306 3.140 20 0 CGADHM CCOC(=O)c1cc(-c2cc(C)c(F)c([O-])c2)cnc1C ZINC001244521382 803415512 /nfs/dbraw/zinc/41/55/12/803415512.db2.gz SGSHHIAXSJHAIN-UHFFFAOYSA-N -1 3 289.306 3.387 20 0 CGADHM CON(C)C(=O)c1cccc(-c2cc(C)c(F)c([O-])c2)c1 ZINC001244519079 803415530 /nfs/dbraw/zinc/41/55/30/803415530.db2.gz CEVPYTRIYSDDFQ-UHFFFAOYSA-N -1 3 289.306 3.140 20 0 CGADHM Cc1cc(-c2ccnn(-c3ccccc3)c2=O)cc([O-])c1F ZINC001244524774 803417474 /nfs/dbraw/zinc/41/74/74/803417474.db2.gz FWALOASVYAZAOZ-UHFFFAOYSA-N -1 3 296.301 3.053 20 0 CGADHM Cc1cc2c(cc1-c1cc(C)c(F)c([O-])c1)CC(=O)N2 ZINC001244526002 803418703 /nfs/dbraw/zinc/41/87/03/803418703.db2.gz XCZMDJLKJIQIEU-UHFFFAOYSA-N -1 3 271.291 3.310 20 0 CGADHM COC(=O)c1ccc(-c2cc(C)c([O-])c(Cl)c2)cn1 ZINC001244536901 803424159 /nfs/dbraw/zinc/42/41/59/803424159.db2.gz AYWLOWLHBPFFQR-UHFFFAOYSA-N -1 3 277.707 3.203 20 0 CGADHM CC[C@@H](CC(=O)Nc1nnc(C(F)(F)F)[n-]1)C(C)(C)C ZINC001133907256 803509948 /nfs/dbraw/zinc/50/99/48/803509948.db2.gz QYFSWWNPAMQJGF-ZETCQYMHSA-N -1 3 292.305 3.224 20 0 CGADHM CC[C@@H](CC(=O)Nc1nc(C(F)(F)F)n[n-]1)C(C)(C)C ZINC001133907256 803509949 /nfs/dbraw/zinc/50/99/49/803509949.db2.gz QYFSWWNPAMQJGF-ZETCQYMHSA-N -1 3 292.305 3.224 20 0 CGADHM CNC(=O)c1ccccc1-c1cc(Cl)ccc1[O-] ZINC001245050006 803621837 /nfs/dbraw/zinc/62/18/37/803621837.db2.gz BCUFJWZXTOSIAT-UHFFFAOYSA-N -1 3 261.708 3.072 20 0 CGADHM COc1cnc(F)c(-c2cc(Cl)ccc2[O-])c1 ZINC001245050796 803622926 /nfs/dbraw/zinc/62/29/26/803622926.db2.gz LEAVLNIQHOUDLJ-UHFFFAOYSA-N -1 3 253.660 3.255 20 0 CGADHM COc1nc(SC)ncc1-c1cc(Cl)ccc1[O-] ZINC001245051764 803623408 /nfs/dbraw/zinc/62/34/08/803623408.db2.gz GZWIOFSYOWNGLP-UHFFFAOYSA-N -1 3 282.752 3.233 20 0 CGADHM COC(=O)c1cc(F)c(C)nc1-c1ccc([O-])cc1Cl ZINC001245077506 803633835 /nfs/dbraw/zinc/63/38/35/803633835.db2.gz ADCSSHSHSJPVHD-UHFFFAOYSA-N -1 3 295.697 3.342 20 0 CGADHM CC1(C)C(=O)Nc2cc(-c3ccc([O-])cc3Cl)ncc21 ZINC001245079010 803634666 /nfs/dbraw/zinc/63/46/66/803634666.db2.gz PJTXAAFGOKZIFJ-UHFFFAOYSA-N -1 3 288.734 3.337 20 0 CGADHM Cc1c[nH]c2ncnc(-c3ccc([O-])cc3Cl)c12 ZINC001245079168 803634697 /nfs/dbraw/zinc/63/46/97/803634697.db2.gz AKTAZWYJHWCNRB-UHFFFAOYSA-N -1 3 259.696 3.244 20 0 CGADHM CCOC(=O)c1cc(F)cnc1-c1ccc([O-])cc1Cl ZINC001245081134 803635768 /nfs/dbraw/zinc/63/57/68/803635768.db2.gz AKSAUWKNGKVTRF-UHFFFAOYSA-N -1 3 295.697 3.423 20 0 CGADHM CCOC(=O)C=Cc1ccc(-c2ccc(=S)[n-]n2)cc1 ZINC001245128410 803646590 /nfs/dbraw/zinc/64/65/90/803646590.db2.gz KTRZORVVRPLCGB-BJMVGYQFSA-N -1 3 286.356 3.009 20 0 CGADHM CC(C)COC1CN(C(=O)c2ccc(C(C)C)cc2[O-])C1 ZINC001137049201 803675781 /nfs/dbraw/zinc/67/57/81/803675781.db2.gz BZBPLEBDLFIVNO-UHFFFAOYSA-N -1 3 291.391 3.013 20 0 CGADHM CCc1ccc(C(C)(C)NC(=O)c2ccc(O)cc2[O-])cc1 ZINC001137187713 803694725 /nfs/dbraw/zinc/69/47/25/803694725.db2.gz GPQSBHLEPVXMLT-UHFFFAOYSA-N -1 3 299.370 3.325 20 0 CGADHM Nc1cc(F)c(F)cc1Nc1ccc([O-])c(F)c1F ZINC001212007613 814965670 /nfs/dbraw/zinc/96/56/70/814965670.db2.gz QVMNVIODZGGGIB-UHFFFAOYSA-N -1 3 272.201 3.274 20 0 CGADHM CNc1ccc(C(=O)Nc2cc(F)ccc2[O-])c(Cl)c1 ZINC001138016838 803826260 /nfs/dbraw/zinc/82/62/60/803826260.db2.gz WMKUXOGDZYCQHT-UHFFFAOYSA-N -1 3 294.713 3.479 20 0 CGADHM Cn1ccc2ccc(C(=O)Nc3cc(F)ccc3[O-])cc21 ZINC001138016060 803826367 /nfs/dbraw/zinc/82/63/67/803826367.db2.gz DIWFOBAPUMIMRO-UHFFFAOYSA-N -1 3 284.290 3.275 20 0 CGADHM O=c1cc(-c2c([O-])cccc2F)ccn1C1CCC1 ZINC001245654649 803885844 /nfs/dbraw/zinc/88/58/44/803885844.db2.gz KPVQYIIMGKIKTL-UHFFFAOYSA-N -1 3 259.280 3.085 20 0 CGADHM CC(C)Cn1ccc(-c2c([O-])cccc2F)cc1=O ZINC001245653992 803886994 /nfs/dbraw/zinc/88/69/94/803886994.db2.gz IIMZQVHBCGEFQO-UHFFFAOYSA-N -1 3 261.296 3.016 20 0 CGADHM [O-]c1cccc(F)c1-c1ccc2nnc(C(F)(F)F)n2c1 ZINC001245654740 803887027 /nfs/dbraw/zinc/88/70/27/803887027.db2.gz HHMASOIOBBOVOE-UHFFFAOYSA-N -1 3 297.211 3.260 20 0 CGADHM COC(=O)c1c(C)cc(-c2c([O-])cccc2F)cc1F ZINC001245656491 803889463 /nfs/dbraw/zinc/88/94/63/803889463.db2.gz KQDCTGOKIVDFRA-UHFFFAOYSA-N -1 3 278.254 3.432 20 0 CGADHM Nc1ncccc1Nc1cc(Cl)cc(Cl)c1[O-] ZINC001212402151 815019979 /nfs/dbraw/zinc/01/99/79/815019979.db2.gz UCVABNZMZWPZLY-UHFFFAOYSA-N -1 3 270.119 3.420 20 0 CGADHM [O-]c1ccc(CN2CCCC3(CCC3)C2)c(F)c1F ZINC001140892249 804543483 /nfs/dbraw/zinc/54/34/83/804543483.db2.gz GHKADICUDQNSRY-UHFFFAOYSA-N -1 3 267.319 3.437 20 0 CGADHM CC[C@@H]1CCC[C@@H]1CNC(=O)c1ccc(C)cc1[O-] ZINC001140981013 804561645 /nfs/dbraw/zinc/56/16/45/804561645.db2.gz FFVNXDYSQRGYBA-CHWSQXEVSA-N -1 3 261.365 3.257 20 0 CGADHM O=C(C[C@H]1CCC[C@H](C(F)(F)F)C1)[N-]OCC1CC1 ZINC001141399743 804638658 /nfs/dbraw/zinc/63/86/58/804638658.db2.gz VAXDWUUISAAZMU-QWRGUYRKSA-N -1 3 279.302 3.203 20 0 CGADHM CCC(CC)(CNC(=O)c1ccc(C(C)C)cc1[O-])OC ZINC001141589897 804655742 /nfs/dbraw/zinc/65/57/42/804655742.db2.gz RCDCOPPYZDOPJU-UHFFFAOYSA-N -1 3 293.407 3.451 20 0 CGADHM C[C@]1(C(=O)Nc2ccc(Br)cc2[O-])C=CCC1 ZINC001141622636 804657654 /nfs/dbraw/zinc/65/76/54/804657654.db2.gz MRSONYBWYHOSIS-ZDUSSCGKSA-N -1 3 296.164 3.450 20 0 CGADHM O=C([O-])c1cc(Cl)ccc1CN1CCC2(CC2)C1 ZINC001142647493 804748084 /nfs/dbraw/zinc/74/80/84/804748084.db2.gz YOVOQQKDZXHQJX-UHFFFAOYSA-N -1 3 265.740 3.024 20 0 CGADHM Cc1cc(Cl)cc(Cl)c1C[N-]C(=O)C(F)F ZINC001142789161 804771405 /nfs/dbraw/zinc/77/14/05/804771405.db2.gz GHFXWZNHSOAQMN-UHFFFAOYSA-N -1 3 268.090 3.183 20 0 CGADHM Cc1ccc(N(C)C(=O)c2[n-]cnc2C(F)(F)F)cc1 ZINC001143106786 804803873 /nfs/dbraw/zinc/80/38/73/804803873.db2.gz QJBCDQRTPDDACW-UHFFFAOYSA-N -1 3 283.253 3.014 20 0 CGADHM Cc1ccc(N(C)C(=O)c2nc[n-]c2C(F)(F)F)cc1 ZINC001143106786 804803882 /nfs/dbraw/zinc/80/38/82/804803882.db2.gz QJBCDQRTPDDACW-UHFFFAOYSA-N -1 3 283.253 3.014 20 0 CGADHM [O-]c1cc(F)c(F)cc1Nc1cc2cccnc2[nH]1 ZINC001248719828 804976544 /nfs/dbraw/zinc/97/65/44/804976544.db2.gz LURLEXQAVRJVDD-UHFFFAOYSA-N -1 3 261.231 3.290 20 0 CGADHM [O-]c1cc(F)c(CN2CCCCC23CC3)cc1F ZINC001144657799 805025535 /nfs/dbraw/zinc/02/55/35/805025535.db2.gz INKHWGITWHEAOQ-UHFFFAOYSA-N -1 3 253.292 3.189 20 0 CGADHM [O-]c1cc(F)c(CN(CC2CC2)C2CC2)cc1F ZINC001144660188 805027353 /nfs/dbraw/zinc/02/73/53/805027353.db2.gz VZBUXAIUUGDDRI-UHFFFAOYSA-N -1 3 253.292 3.045 20 0 CGADHM O=C([O-])c1ccsc1CN1CCC[C@H]1c1ccccn1 ZINC001144678339 805033034 /nfs/dbraw/zinc/03/30/34/805033034.db2.gz WLYFYQHBECBFSH-ZDUSSCGKSA-N -1 3 288.372 3.178 20 0 CGADHM CCc1cc(C(=O)Nc2c([O-])cccc2C(C)=O)cs1 ZINC001147714650 805145850 /nfs/dbraw/zinc/14/58/50/805145850.db2.gz VFBKKOUVWXHXEX-UHFFFAOYSA-N -1 3 289.356 3.471 20 0 CGADHM [S-]c1ccccc1NC1=CC[C@H](N2CCOCC2)CC1 ZINC001249557201 805176366 /nfs/dbraw/zinc/17/63/66/805176366.db2.gz VQXANNDOXXALDQ-AWEZNQCLSA-N -1 3 290.432 3.156 20 0 CGADHM CC(=O)c1cc(C(=O)NCc2c(C)cccc2C)ccc1[O-] ZINC001148669497 805204150 /nfs/dbraw/zinc/20/41/50/805204150.db2.gz ZAFSGKCSUIPEKN-UHFFFAOYSA-N -1 3 297.354 3.142 20 0 CGADHM CCC1(NC(=O)c2ccc([O-])c(C(C)=O)c2)CCCCC1 ZINC001148668647 805204393 /nfs/dbraw/zinc/20/43/93/805204393.db2.gz GLWRAPLHGDPCEC-UHFFFAOYSA-N -1 3 289.375 3.438 20 0 CGADHM O=C(Nc1ccc(F)c([O-])c1)c1ccccc1OC(F)F ZINC001148706685 805205390 /nfs/dbraw/zinc/20/53/90/805205390.db2.gz AGJBULSUPZUFNG-UHFFFAOYSA-N -1 3 297.232 3.385 20 0 CGADHM CN(Cc1ccc(F)c(C(=O)[O-])c1F)C[C@H]1CC1(C)C ZINC001249776522 805242233 /nfs/dbraw/zinc/24/22/33/805242233.db2.gz OPZPPHYQMXPJKZ-SNVBAGLBSA-N -1 3 283.318 3.141 20 0 CGADHM Cc1cc(Nc2cccc([O-])c2Br)cnc1N ZINC001249794525 805251239 /nfs/dbraw/zinc/25/12/39/805251239.db2.gz TUMJIEYRIDSGAD-UHFFFAOYSA-N -1 3 294.152 3.184 20 0 CGADHM O=C(Nc1cc([O-])cc(Cl)c1)c1cnc2ccncc2c1 ZINC001151447527 805290609 /nfs/dbraw/zinc/29/06/09/805290609.db2.gz WWDVLVOMEFMVNG-UHFFFAOYSA-N -1 3 299.717 3.241 20 0 CGADHM [O-]c1ccc(-c2nc(-c3cccc4cnccc43)no2)nc1 ZINC001212558059 815068408 /nfs/dbraw/zinc/06/84/08/815068408.db2.gz PJHHCVKZMHKPCM-UHFFFAOYSA-N -1 3 290.282 3.052 20 0 CGADHM Nc1cccc2c(Cl)nn(-c3c([O-])cccc3F)c21 ZINC001249996387 805354281 /nfs/dbraw/zinc/35/42/81/805354281.db2.gz JWHWLLPYJGLMQE-UHFFFAOYSA-N -1 3 277.686 3.106 20 0 CGADHM COc1cc2ccccc2cc1C(=O)Nc1cncc([O-])c1 ZINC001152801254 805368564 /nfs/dbraw/zinc/36/85/64/805368564.db2.gz VLQBJBCUXGETPN-UHFFFAOYSA-N -1 3 294.310 3.201 20 0 CGADHM O=C(Nc1cc([O-])cc(Cl)c1)c1c[nH]c2cnccc12 ZINC001153010165 805378684 /nfs/dbraw/zinc/37/86/84/805378684.db2.gz QOYHLIJOAQWWJT-UHFFFAOYSA-N -1 3 287.706 3.174 20 0 CGADHM CSc1cc(C(=O)Nc2cc(F)ccc2[O-])c(C)o1 ZINC001153468973 805398171 /nfs/dbraw/zinc/39/81/71/805398171.db2.gz ZANFKVKRWUWVSC-UHFFFAOYSA-N -1 3 281.308 3.407 20 0 CGADHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)C(C)(C)C ZINC001154067689 805430905 /nfs/dbraw/zinc/43/09/05/805430905.db2.gz MSOVFPJIDWBAKF-ZJUUUORDSA-N -1 3 250.342 3.044 20 0 CGADHM O=C(NC[C@H]1CCC=CO1)c1cc2sccc2c([O-])c1 ZINC001154357563 805450817 /nfs/dbraw/zinc/45/08/17/805450817.db2.gz LURUEBBXXFUJLG-LLVKDONJSA-N -1 3 289.356 3.029 20 0 CGADHM Cn1nc(Nc2ccc(Cl)c([O-])c2)c2cccnc21 ZINC001212588522 815078416 /nfs/dbraw/zinc/07/84/16/815078416.db2.gz RZLTXRHMLYJTLI-UHFFFAOYSA-N -1 3 274.711 3.071 20 0 CGADHM COc1cc(CO)ccc1Nc1ccc(Cl)c([O-])c1 ZINC001212593381 815079959 /nfs/dbraw/zinc/07/99/59/815079959.db2.gz NUTKBZCXNBDXIH-UHFFFAOYSA-N -1 3 279.723 3.290 20 0 CGADHM CC(=O)Nc1cncc(Nc2ccc(Cl)c([O-])c2)c1 ZINC001212590676 815080212 /nfs/dbraw/zinc/08/02/12/815080212.db2.gz YGGDZHHXGHJBHE-UHFFFAOYSA-N -1 3 277.711 3.143 20 0 CGADHM CNC(=O)c1ccc(Nc2ccc(Cl)c([O-])c2)cc1F ZINC001212594238 815080888 /nfs/dbraw/zinc/08/08/88/815080888.db2.gz VKUDEDZCLCOQRW-UHFFFAOYSA-N -1 3 294.713 3.288 20 0 CGADHM OCc1ccc(F)c([N-]c2cc(C(F)(F)F)no2)c1F ZINC001250252617 805522353 /nfs/dbraw/zinc/52/23/53/805522353.db2.gz NUBMYJIELVFWJV-UHFFFAOYSA-N -1 3 294.179 3.208 20 0 CGADHM CS(=O)(=O)c1ccc(Cc2cccc([O-])c2Cl)cc1 ZINC001250256643 805526392 /nfs/dbraw/zinc/52/63/92/805526392.db2.gz SGQMOAZBTACSAE-UHFFFAOYSA-N -1 3 296.775 3.040 20 0 CGADHM O=C(Nc1ccc(F)c([O-])c1)c1cccc2ncc(O)cc21 ZINC001155050723 805528393 /nfs/dbraw/zinc/52/83/93/805528393.db2.gz SGOZDNWRVPHVQE-UHFFFAOYSA-N -1 3 298.273 3.037 20 0 CGADHM Cc1ccc(F)c(C(=O)[N-]Oc2ccc(F)cc2)c1F ZINC001165800005 807019811 /nfs/dbraw/zinc/01/98/11/807019811.db2.gz FGMSMCHCVQHBGR-UHFFFAOYSA-N -1 3 281.233 3.136 20 0 CGADHM Cc1cc([O-])c(-c2nnc(CC3CCCC3)o2)c(O)c1 ZINC001258691283 807547234 /nfs/dbraw/zinc/54/72/34/807547234.db2.gz TXESFIKDLIILDK-UHFFFAOYSA-N -1 3 274.320 3.189 20 0 CGADHM CC(C)c1ccc([C@@H](C)[N-]S(=O)(=O)C(F)F)cc1 ZINC001259963830 807694896 /nfs/dbraw/zinc/69/48/96/807694896.db2.gz ORMYWJOBPQWMNL-SECBINFHSA-N -1 3 277.336 3.013 20 0 CGADHM O=C([N-]c1c(F)ccnc1F)c1cc2ccccc2o1 ZINC001261216233 807715823 /nfs/dbraw/zinc/71/58/23/807715823.db2.gz LQGJYHUKHVSGEI-UHFFFAOYSA-N -1 3 274.226 3.358 20 0 CGADHM CC(=O)CC(C)(C)Nc1ccc2c(c1)[N-]C(=S)C2 ZINC001171502222 808079976 /nfs/dbraw/zinc/07/99/76/808079976.db2.gz ARWVEVOMNGLKRI-UHFFFAOYSA-N -1 3 262.378 3.152 20 0 CGADHM Cc1nc2ccc(Nc3ccc(C(=O)[O-])cc3)cc2[nH]1 ZINC001213075306 815223034 /nfs/dbraw/zinc/22/30/34/815223034.db2.gz NSFXUTPCFNCLRS-UHFFFAOYSA-N -1 3 267.288 3.313 20 0 CGADHM COc1cccc(OC)c1Nc1ccc([O-])c(F)c1F ZINC001173921215 808761565 /nfs/dbraw/zinc/76/15/65/808761565.db2.gz AJYIBJWVCDOIEK-UHFFFAOYSA-N -1 3 281.258 3.431 20 0 CGADHM COC(=O)c1cccc(Nc2cc([O-])c(F)cc2F)c1 ZINC001173964056 808790662 /nfs/dbraw/zinc/79/06/62/808790662.db2.gz VYZCDCRHDGLFOE-UHFFFAOYSA-N -1 3 279.242 3.201 20 0 CGADHM CCOc1ccc2cc(Nc3cnc[n-]c3=O)ccc2c1 ZINC001174107328 808870240 /nfs/dbraw/zinc/87/02/40/808870240.db2.gz REFXHIZFOLLHRZ-UHFFFAOYSA-N -1 3 281.315 3.478 20 0 CGADHM CC(C)CCn1cc(Nc2cc(=O)[n-]c(C3CC3)n2)cn1 ZINC001174415557 809009836 /nfs/dbraw/zinc/00/98/36/809009836.db2.gz PWMITCJIAQSIAR-UHFFFAOYSA-N -1 3 287.367 3.046 20 0 CGADHM CCn1cc(Nc2cccc([O-])c2Br)cn1 ZINC001174573233 809089696 /nfs/dbraw/zinc/08/96/96/809089696.db2.gz FZFAKKTUERLMGS-UHFFFAOYSA-N -1 3 282.141 3.115 20 0 CGADHM [O-]c1c(Cl)cccc1NC1=CCC2(CC1)OCCO2 ZINC001174640548 809114663 /nfs/dbraw/zinc/11/46/63/809114663.db2.gz XHEBQJVQAYOFCS-UHFFFAOYSA-N -1 3 281.739 3.268 20 0 CGADHM CC(C)Oc1ccc([N-]c2nnc(C(C)C)o2)cn1 ZINC001174762718 809158722 /nfs/dbraw/zinc/15/87/22/809158722.db2.gz IUECBWVQDDMDQI-UHFFFAOYSA-N -1 3 262.313 3.119 20 0 CGADHM COc1cccc(C(F)(F)F)c1Nc1cc(=O)[n-]c(C)n1 ZINC001213341147 815266331 /nfs/dbraw/zinc/26/63/31/815266331.db2.gz NFPRXNZHHDBHGV-UHFFFAOYSA-N -1 3 299.252 3.262 20 0 CGADHM O=c1ccoc2ccc(Nc3ccc([O-])c(F)c3)cc12 ZINC001174946095 809210655 /nfs/dbraw/zinc/21/06/55/809210655.db2.gz UEXOLXJEXLWARU-UHFFFAOYSA-N -1 3 271.247 3.381 20 0 CGADHM [O-]c1c(F)cc(Nc2c(F)cnc(F)c2F)cc1F ZINC001213373620 815271660 /nfs/dbraw/zinc/27/16/60/815271660.db2.gz OWBASRGGWFJTAN-UHFFFAOYSA-N -1 3 276.164 3.226 20 0 CGADHM Cc1cccc(N)c1Nc1c(F)cc([O-])cc1F ZINC001175096450 809268569 /nfs/dbraw/zinc/26/85/69/809268569.db2.gz AUCJVVBEGCOHDV-UHFFFAOYSA-N -1 3 250.248 3.305 20 0 CGADHM O=c1[n-]cncc1Nc1ccc(F)cc1C(F)(F)F ZINC001175101020 809271904 /nfs/dbraw/zinc/27/19/04/809271904.db2.gz MVDNYBFNOPVITL-UHFFFAOYSA-N -1 3 273.189 3.084 20 0 CGADHM O=c1cc(Nc2c(F)cc(F)cc2F)nc(C2CC2)[n-]1 ZINC001175145123 809287862 /nfs/dbraw/zinc/28/78/62/809287862.db2.gz XLZBJVROPWQSSO-UHFFFAOYSA-N -1 3 281.237 3.221 20 0 CGADHM Cc1cnc(Nc2c(F)ccc([O-])c2F)c(Cl)n1 ZINC001175262782 809328889 /nfs/dbraw/zinc/32/88/89/809328889.db2.gz KXSGDMCENZAWHK-UHFFFAOYSA-N -1 3 271.654 3.166 20 0 CGADHM COc1ccc(N)cc1Nc1c(F)ccc([O-])c1F ZINC001175267629 809330784 /nfs/dbraw/zinc/33/07/84/809330784.db2.gz DCSXPERHCUWPII-UHFFFAOYSA-N -1 3 266.247 3.005 20 0 CGADHM Cc1ccc(F)c(Nc2c(F)ccc([O-])c2F)n1 ZINC001175265590 809330991 /nfs/dbraw/zinc/33/09/91/809330991.db2.gz HMRQEXAMNOEMNL-UHFFFAOYSA-N -1 3 254.211 3.257 20 0 CGADHM O=C1OCc2ccc(Nc3c(F)ccc([O-])c3F)cc21 ZINC001175265992 809331344 /nfs/dbraw/zinc/33/13/44/809331344.db2.gz RXDVJXIXOUOOQM-UHFFFAOYSA-N -1 3 277.226 3.084 20 0 CGADHM [O-]c1ccc(F)c(Nc2cn(CC(F)(F)F)cn2)c1F ZINC001175265078 809331656 /nfs/dbraw/zinc/33/16/56/809331656.db2.gz BEMLBEBDWLSTSG-UHFFFAOYSA-N -1 3 293.195 3.173 20 0 CGADHM Cc1c(Nc2c(F)ccc([O-])c2F)ccc2c1OCCO2 ZINC001175270629 809334346 /nfs/dbraw/zinc/33/43/46/809334346.db2.gz GEYCZEYIVFLLEV-UHFFFAOYSA-N -1 3 293.269 3.494 20 0 CGADHM C[S@@](=O)c1ccccc1Nc1cc(F)c([O-])c(F)c1 ZINC001175309400 809348851 /nfs/dbraw/zinc/34/88/51/809348851.db2.gz MPSJIXZSWLOUHN-LJQANCHMSA-N -1 3 283.299 3.151 20 0 CGADHM CSc1ccccc1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175429835 809401373 /nfs/dbraw/zinc/40/13/73/809401373.db2.gz QVNJPGTWFGWZOM-UHFFFAOYSA-N -1 3 283.360 3.332 20 0 CGADHM Cn1c(Nc2ccc(-c3nn[n-]n3)cc2)cc2ccccc21 ZINC001175427525 809401400 /nfs/dbraw/zinc/40/14/00/809401400.db2.gz LRNJTHAGZGZQKQ-UHFFFAOYSA-N -1 3 290.330 3.102 20 0 CGADHM CCC(=O)c1ccccc1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175431635 809402931 /nfs/dbraw/zinc/40/29/31/809402931.db2.gz LDAVVKKGERTEJD-UHFFFAOYSA-N -1 3 293.330 3.203 20 0 CGADHM O=C([N-]c1ccccc1SC(F)F)c1n[nH]cc1F ZINC001290283860 809405282 /nfs/dbraw/zinc/40/52/82/809405282.db2.gz VSWSYROKVUQYLM-UHFFFAOYSA-N -1 3 287.266 3.116 20 0 CGADHM CCc1ccc(C(=O)N[C@H](C)c2ccccc2)c([O-])c1 ZINC001293143828 809444096 /nfs/dbraw/zinc/44/40/96/809444096.db2.gz NBLPJAXZTPGHPC-GFCCVEGCSA-N -1 3 269.344 3.446 20 0 CGADHM Cc1ncc(C2CC2)cc1Nc1ncc(F)cc1[O-] ZINC001213495186 815289411 /nfs/dbraw/zinc/28/94/11/815289411.db2.gz VGASRERWRLRIJQ-UHFFFAOYSA-N -1 3 259.284 3.251 20 0 CGADHM CCCC[C@H](COC)NC(=O)c1cc(SC)ccc1[O-] ZINC001293689665 809453192 /nfs/dbraw/zinc/45/31/92/809453192.db2.gz AALJNQGLHCYGHJ-LLVKDONJSA-N -1 3 297.420 3.049 20 0 CGADHM COc1cccc([O-])c1C(=O)N[C@@H]1C[C@H]1C1CCCCC1 ZINC001294138177 809462152 /nfs/dbraw/zinc/46/21/52/809462152.db2.gz GPOONDQJUCSIPL-QWHCGFSZSA-N -1 3 289.375 3.099 20 0 CGADHM COc1cc(C)cc(-c2noc(-c3cc(Cl)n[n-]3)n2)c1 ZINC001213500440 815290876 /nfs/dbraw/zinc/29/08/76/815290876.db2.gz IKWXSTGAVPCCPC-UHFFFAOYSA-N -1 3 290.710 3.097 20 0 CGADHM CCCOc1cccc(Nc2ccc(C(N)=O)c([O-])c2)c1 ZINC001175601709 809470896 /nfs/dbraw/zinc/47/08/96/809470896.db2.gz QXDBWPAGPUOQLO-UHFFFAOYSA-N -1 3 286.331 3.024 20 0 CGADHM Cn1ccc2ccc(-c3noc(-c4cc(Cl)n[n-]4)n3)cc21 ZINC001213501032 815291784 /nfs/dbraw/zinc/29/17/84/815291784.db2.gz XVOVJFGNIJBIJA-UHFFFAOYSA-N -1 3 299.721 3.272 20 0 CGADHM [O-]c1cc(Cl)cnc1Nc1cccc2c[nH]nc21 ZINC001175637433 809484159 /nfs/dbraw/zinc/48/41/59/809484159.db2.gz VOUFSBMPZBLRCF-UHFFFAOYSA-N -1 3 260.684 3.061 20 0 CGADHM Cc1ccc(NC(=O)c2ccc(C)c(C)c2[O-])c(N(C)C)n1 ZINC001295445173 809486843 /nfs/dbraw/zinc/48/68/43/809486843.db2.gz OIVNWUIVFZWUQZ-UHFFFAOYSA-N -1 3 299.374 3.031 20 0 CGADHM O=C(Nc1[nH][n-]c2cc(=O)ccc1-2)[C@H]1C[C@@H]1c1ccccc1 ZINC001298306237 809530983 /nfs/dbraw/zinc/53/09/83/809530983.db2.gz BZHMCWAPUVMNNS-KGLIPLIRSA-N -1 3 293.326 3.011 20 0 CGADHM CSc1c(F)cccc1[N-]C(=O)c1coc(C=O)c1 ZINC001300678842 809571676 /nfs/dbraw/zinc/57/16/76/809571676.db2.gz FZMOFCVWLWLHMP-UHFFFAOYSA-N -1 3 279.292 3.205 20 0 CGADHM c1nc([N-]c2nc(-c3ccncc3)cs2)cs1 ZINC001175938333 809574789 /nfs/dbraw/zinc/57/47/89/809574789.db2.gz VLWZLXUEMPYVIC-UHFFFAOYSA-N -1 3 260.347 3.405 20 0 CGADHM CSc1ccc([O-])c(C(=O)N[C@]2(C)CC2(C)C)c1 ZINC001301266155 809581104 /nfs/dbraw/zinc/58/11/04/809581104.db2.gz QRJNCSFHQSZWIY-CQSZACIVSA-N -1 3 265.378 3.033 20 0 CGADHM Cc1nonc1[N-]c1cccc2c1cnn2[C@H]1CCCCO1 ZINC001176317785 809667046 /nfs/dbraw/zinc/66/70/46/809667046.db2.gz HPKBHKIPSYISOC-CQSZACIVSA-N -1 3 299.334 3.170 20 0 CGADHM CC(C)C[C@@H](C)CC(=O)[N-]Oc1ccccc1F ZINC001177109247 809781334 /nfs/dbraw/zinc/78/13/34/809781334.db2.gz BGKZJEQDUHETMH-LLVKDONJSA-N -1 3 253.317 3.308 20 0 CGADHM COCC(C)(C)CCNC(=O)c1ccc(C(C)C)cc1[O-] ZINC001177118622 809782644 /nfs/dbraw/zinc/78/26/44/809782644.db2.gz OFKGEOUCBYXOTR-UHFFFAOYSA-N -1 3 293.407 3.308 20 0 CGADHM CCc1ccc(-c2noc(-c3nc(C)ccc3[O-])n2)cc1 ZINC001213699382 815323064 /nfs/dbraw/zinc/32/30/64/815323064.db2.gz GZIQHUGBJXMPTB-UHFFFAOYSA-N -1 3 281.315 3.375 20 0 CGADHM CC(C)c1cccc(CC(=O)Nc2ccc(F)c([O-])c2)n1 ZINC001178450315 809867379 /nfs/dbraw/zinc/86/73/79/809867379.db2.gz CRXNMKSNWIWEJD-UHFFFAOYSA-N -1 3 288.322 3.231 20 0 CGADHM [O-]c1ccc(CN[C@@H]2CCc3c2cccc3O)c(F)c1F ZINC001182051845 810092412 /nfs/dbraw/zinc/09/24/12/810092412.db2.gz GBXUMBOUKXQTKB-GFCCVEGCSA-N -1 3 291.297 3.153 20 0 CGADHM O=c1cc(Nc2cnccc2C2CC2)nc(C2CC2)[n-]1 ZINC001213869421 815341231 /nfs/dbraw/zinc/34/12/31/815341231.db2.gz VHGNFBBQZYYXHB-UHFFFAOYSA-N -1 3 268.320 3.076 20 0 CGADHM [O-]c1ccc(CN2CCc3ccsc3C2)cc1F ZINC001184135309 810178846 /nfs/dbraw/zinc/17/88/46/810178846.db2.gz NKSRXIAYIAJHNZ-UHFFFAOYSA-N -1 3 263.337 3.151 20 0 CGADHM O=C(Nc1cc(Br)ccc1[O-])NC1CCCC1 ZINC001185893886 810299328 /nfs/dbraw/zinc/29/93/28/810299328.db2.gz FEJDNCBOKXADMF-UHFFFAOYSA-N -1 3 299.168 3.219 20 0 CGADHM Cc1cccc([O-])c1C(=O)Nc1cccc(C(C)C)n1 ZINC001188638379 810496676 /nfs/dbraw/zinc/49/66/76/810496676.db2.gz LSSRBBDZRMNHGG-UHFFFAOYSA-N -1 3 270.332 3.471 20 0 CGADHM Cc1cccc([O-])c1C(=O)Nc1cnc2ccc(O)cc2c1 ZINC001188637942 810496992 /nfs/dbraw/zinc/49/69/92/810496992.db2.gz AYKNQOCJHHYZIW-UHFFFAOYSA-N -1 3 294.310 3.207 20 0 CGADHM CC(=O)c1cccc(NC(=O)c2c(C)cccc2[O-])c1C ZINC001188655467 810500481 /nfs/dbraw/zinc/50/04/81/810500481.db2.gz PTZOAYODGKTXSI-UHFFFAOYSA-N -1 3 283.327 3.464 20 0 CGADHM O=S(=O)(CC1CC1)[N-]c1csc2ccccc12 ZINC001188931048 810524701 /nfs/dbraw/zinc/52/47/01/810524701.db2.gz VAOFFQGQQCGZKP-UHFFFAOYSA-N -1 3 267.375 3.053 20 0 CGADHM Nc1ccc(F)cc1Nc1ncc(Br)cc1[O-] ZINC001214196658 815381858 /nfs/dbraw/zinc/38/18/58/815381858.db2.gz GIDFJRUTCYCXAQ-UHFFFAOYSA-N -1 3 298.115 3.015 20 0 CGADHM CCCCNC(=O)Nc1c([O-])cccc1Br ZINC001190614991 810637859 /nfs/dbraw/zinc/63/78/59/810637859.db2.gz CZOJABIQNKPSPS-UHFFFAOYSA-N -1 3 287.157 3.076 20 0 CGADHM CC(=O)c1cccc([O-])c1NC(=O)NC1CCCCCC1 ZINC001191272753 810695127 /nfs/dbraw/zinc/69/51/27/810695127.db2.gz GYEULLQXTMITQY-UHFFFAOYSA-N -1 3 290.363 3.439 20 0 CGADHM C[C@H]1CC[C@H](NC(=O)Nc2cc(F)ccc2[O-])CC1 ZINC001191823616 810747324 /nfs/dbraw/zinc/74/73/24/810747324.db2.gz UWXFRWWXICTTPV-HOMQSWHASA-N -1 3 266.316 3.232 20 0 CGADHM Cc1nc(Nc2ccc(C)c(OC(C)C)c2)cc(=O)[n-]1 ZINC001214330298 815396861 /nfs/dbraw/zinc/39/68/61/815396861.db2.gz YDSJIXUZTTUMQR-UHFFFAOYSA-N -1 3 273.336 3.330 20 0 CGADHM CCC(C)(C)[C@H](C)[N-]S(=O)(=O)c1ccc(F)cc1F ZINC001192449853 810798787 /nfs/dbraw/zinc/79/87/87/810798787.db2.gz MFFYWYAPGXAVTH-VIFPVBQESA-N -1 3 291.363 3.068 20 0 CGADHM CSc1ccc(C(=O)[N-]c2nnc(C(C)(C)C)o2)s1 ZINC001192635569 810812387 /nfs/dbraw/zinc/81/23/87/810812387.db2.gz INRFHKRNANDRJZ-UHFFFAOYSA-N -1 3 297.405 3.403 20 0 CGADHM CC(C)OC(=O)Nc1cc(Br)ccc1[O-] ZINC001193487478 810895854 /nfs/dbraw/zinc/89/58/54/810895854.db2.gz MFQRVJCTZOAVRF-UHFFFAOYSA-N -1 3 274.114 3.112 20 0 CGADHM Cc1cc(O)cc([O-])c1C(=O)Nc1ccc2c(c1)N=NC2 ZINC001193938349 810982021 /nfs/dbraw/zinc/98/20/21/810982021.db2.gz OQFYJCZAIUCDRA-UHFFFAOYSA-N -1 3 283.287 3.256 20 0 CGADHM CC(=O)Nc1cc(Nc2cc(F)c([O-])c(Cl)c2)ccn1 ZINC001214482976 815416655 /nfs/dbraw/zinc/41/66/55/815416655.db2.gz XOSVISRMHDSGQO-UHFFFAOYSA-N -1 3 295.701 3.282 20 0 CGADHM Cn1ncc(Cl)c1Nc1c(Cl)ccc([O-])c1F ZINC001214558555 815424532 /nfs/dbraw/zinc/42/45/32/815424532.db2.gz ZSNHLAJYVCBKAL-UHFFFAOYSA-N -1 3 276.098 3.315 20 0 CGADHM Cc1cnn2cc(Nc3c(Cl)ccc([O-])c3F)cnc12 ZINC001214556391 815422939 /nfs/dbraw/zinc/42/29/39/815422939.db2.gz QUZSTKUBGBRJAE-UHFFFAOYSA-N -1 3 292.701 3.279 20 0 CGADHM CN(C)c1cncc(Nc2c(Cl)ccc([O-])c2F)c1 ZINC001214557996 815424611 /nfs/dbraw/zinc/42/46/11/815424611.db2.gz NPMUHYIXRNUZEW-UHFFFAOYSA-N -1 3 281.718 3.389 20 0 CGADHM Cc1ccc([O-])c(C(=O)N[C@@H]2C[C@@H](C)c3ccccc32)n1 ZINC001195332178 811242489 /nfs/dbraw/zinc/24/24/89/811242489.db2.gz MUOPDWNGQHDWLT-QMTHXVAHSA-N -1 3 282.343 3.074 20 0 CGADHM Cc1cc(C)c(NS(=O)(=O)c2ccc([O-])cc2)cc1C ZINC001195802795 811292996 /nfs/dbraw/zinc/29/29/96/811292996.db2.gz MKFDKVRLYJBFFU-UHFFFAOYSA-N -1 3 291.372 3.118 20 0 CGADHM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(O)cc2)cc1C ZINC001195802795 811293003 /nfs/dbraw/zinc/29/30/03/811293003.db2.gz MKFDKVRLYJBFFU-UHFFFAOYSA-N -1 3 291.372 3.118 20 0 CGADHM [O-]c1cc(NC(=S)NCc2ccc(F)cc2)ccc1F ZINC001196489729 811349813 /nfs/dbraw/zinc/34/98/13/811349813.db2.gz OHIGCQAEIWBTNA-UHFFFAOYSA-N -1 3 294.326 3.157 20 0 CGADHM [O-]c1cncc(NC(=S)Nc2ccc(Cl)cc2)c1 ZINC001197300449 811413501 /nfs/dbraw/zinc/41/35/01/811413501.db2.gz YFQNBXYMSNVKLU-UHFFFAOYSA-N -1 3 279.752 3.250 20 0 CGADHM CC[C@@H](C)NC(=S)Nc1nc2c(cccc2[O-])s1 ZINC001200464762 811696152 /nfs/dbraw/zinc/69/61/52/811696152.db2.gz KGIAFLPHEADKOM-SSDOTTSWSA-N -1 3 281.406 3.087 20 0 CGADHM COc1cccc(NC(=O)Nc2ncc([O-])cc2Cl)c1 ZINC001202272440 812054080 /nfs/dbraw/zinc/05/40/80/812054080.db2.gz SAAIRSMERKJRDO-UHFFFAOYSA-N -1 3 293.710 3.093 20 0 CGADHM Cc1cccc(NC(=O)Nc2cc(F)ccc2[O-])c1 ZINC001202315404 812063171 /nfs/dbraw/zinc/06/31/71/812063171.db2.gz DBDQBXVTFOCETJ-UHFFFAOYSA-N -1 3 260.268 3.484 20 0 CGADHM O=C(Nc1ccc([O-])c(F)c1)Nc1cc(F)ccc1F ZINC001202655073 812148159 /nfs/dbraw/zinc/14/81/59/812148159.db2.gz LTITWGNSRYOEQJ-UHFFFAOYSA-N -1 3 282.221 3.454 20 0 CGADHM [O-]c1cc(F)cnc1Nc1cccc(Cl)c1F ZINC001203034612 812222960 /nfs/dbraw/zinc/22/29/60/812222960.db2.gz SZOJQXXVNNHCMT-UHFFFAOYSA-N -1 3 256.639 3.462 20 0 CGADHM Cc1ncc(Nc2ccc(F)c(F)c2Cl)c(=O)[n-]1 ZINC001215403201 815517558 /nfs/dbraw/zinc/51/75/58/815517558.db2.gz QBVZJOJXXKMOHX-UHFFFAOYSA-N -1 3 271.654 3.166 20 0 CGADHM COc1ncc(Nc2ccc(C)c([O-])c2Cl)cc1N ZINC001203509953 812378018 /nfs/dbraw/zinc/37/80/18/812378018.db2.gz VKGPZMTYPUEJHW-UHFFFAOYSA-N -1 3 279.727 3.083 20 0 CGADHM CCc1nc(OC)ccc1Nc1ncc(Cl)cc1[O-] ZINC001203587348 812401177 /nfs/dbraw/zinc/40/11/77/812401177.db2.gz VTFOKZWUDXLHLT-UHFFFAOYSA-N -1 3 279.727 3.150 20 0 CGADHM CCCOc1ccc([N-]c2nonc2C)c(F)c1F ZINC001203692072 812428564 /nfs/dbraw/zinc/42/85/64/812428564.db2.gz XWHIRVLPQABAHE-UHFFFAOYSA-N -1 3 269.251 3.189 20 0 CGADHM Nc1cc(Cl)ncc1Nc1cc(F)c([O-])cc1F ZINC001215570252 815536620 /nfs/dbraw/zinc/53/66/20/815536620.db2.gz CIMKACVPTOHCCI-UHFFFAOYSA-N -1 3 271.654 3.045 20 0 CGADHM Cn1nc(C2CC2)cc1Nc1cc(F)c([O-])cc1F ZINC001215570181 815536670 /nfs/dbraw/zinc/53/66/70/815536670.db2.gz NNVYSNCYFMJLJL-UHFFFAOYSA-N -1 3 265.263 3.025 20 0 CGADHM CCOc1ccc([N-]c2nnc(C(C)(C)C)o2)c(C)n1 ZINC001215577105 815539724 /nfs/dbraw/zinc/53/97/24/815539724.db2.gz UJHBRBJVWNMIDF-UHFFFAOYSA-N -1 3 276.340 3.213 20 0 CGADHM COc1cc(C)cc(F)c1Nc1cc(=O)[n-]c(C2CC2)n1 ZINC001215705724 815562018 /nfs/dbraw/zinc/56/20/18/815562018.db2.gz HMRVPUXPSIFSIK-UHFFFAOYSA-N -1 3 289.310 3.259 20 0 CGADHM COCOc1ccc(Nc2cccc(Cl)c2[O-])cn1 ZINC001215666770 815557082 /nfs/dbraw/zinc/55/70/82/815557082.db2.gz ZMHISYNQQSDILY-UHFFFAOYSA-N -1 3 280.711 3.167 20 0 CGADHM CCOC(=O)c1c(C)cc(-c2ccc([O-])cc2F)nc1C ZINC001206029482 813171125 /nfs/dbraw/zinc/17/11/25/813171125.db2.gz BDAVFLIJRRSZGO-UHFFFAOYSA-N -1 3 289.306 3.387 20 0 CGADHM Nc1ccc2cccc(-c3ccc([O-])cc3F)c2n1 ZINC001206073107 813190209 /nfs/dbraw/zinc/19/02/09/813190209.db2.gz ONVVXZQCNBTYIR-UHFFFAOYSA-N -1 3 254.264 3.329 20 0 CGADHM COc1ccc(-c2csc(C(=O)[O-])c2)cc1CN(C)C ZINC001206290838 813273616 /nfs/dbraw/zinc/27/36/16/813273616.db2.gz CEZVNUODTKPBPK-UHFFFAOYSA-N -1 3 291.372 3.184 20 0 CGADHM COCc1cc(C)c(-c2ccccc2-c2nnn[n-]2)c(C)c1 ZINC001206317734 813287271 /nfs/dbraw/zinc/28/72/71/813287271.db2.gz GPFJYVHHMXSASI-UHFFFAOYSA-N -1 3 294.358 3.297 20 0 CGADHM COCc1cc(C)c(-c2ccccc2-c2nn[n-]n2)c(C)c1 ZINC001206317734 813287273 /nfs/dbraw/zinc/28/72/73/813287273.db2.gz GPFJYVHHMXSASI-UHFFFAOYSA-N -1 3 294.358 3.297 20 0 CGADHM CCc1cc(OC)ccc1-c1ccc(-c2nnn[n-]2)cc1C ZINC001242699557 823104261 /nfs/dbraw/zinc/10/42/61/823104261.db2.gz DXWIBUUWBCQYBV-UHFFFAOYSA-N -1 3 294.358 3.413 20 0 CGADHM CCc1cc(OC)ccc1-c1ccc(-c2nn[n-]n2)cc1C ZINC001242699557 823104262 /nfs/dbraw/zinc/10/42/62/823104262.db2.gz DXWIBUUWBCQYBV-UHFFFAOYSA-N -1 3 294.358 3.413 20 0 CGADHM Cc1cc(Nc2ncc(Br)cc2[O-])ccc1O ZINC001209972181 814223287 /nfs/dbraw/zinc/22/32/87/814223287.db2.gz HAQDVQOVMQDYCB-UHFFFAOYSA-N -1 3 295.136 3.307 20 0 CGADHM CN(C)c1ccccc1Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001209988890 814232040 /nfs/dbraw/zinc/23/20/40/814232040.db2.gz BVZDDGNMLRXTQH-UHFFFAOYSA-N -1 3 294.358 3.388 20 0 CGADHM Nc1cc2cn(-c3ccc(F)cc3[O-])nc2cc1Cl ZINC001210019308 814248162 /nfs/dbraw/zinc/24/81/62/814248162.db2.gz FZRCSPWHKMSMGJ-UHFFFAOYSA-N -1 3 277.686 3.106 20 0 CGADHM Cc1cccc(Nc2cc(=O)n(-c3ccccc3)[n-]2)c1O ZINC001210187838 814328019 /nfs/dbraw/zinc/32/80/19/814328019.db2.gz HFZURIISLNPWAY-UHFFFAOYSA-N -1 3 281.315 3.336 20 0 CGADHM CCOC(=O)c1cccnc1Nc1cccc(Cl)c1[O-] ZINC001210216396 814346601 /nfs/dbraw/zinc/34/66/01/814346601.db2.gz VYWSLSUWYLJPDO-UHFFFAOYSA-N -1 3 292.722 3.361 20 0 CGADHM Cc1nc2ccc(N)cc2n1-c1cccc(Cl)c1[O-] ZINC001210219337 814347411 /nfs/dbraw/zinc/34/74/11/814347411.db2.gz IQRGZRRTGIODTL-UHFFFAOYSA-N -1 3 273.723 3.275 20 0 CGADHM Cc1c(Nc2cccc(Cl)c2[O-])cnn1[C@H]1CCOC1 ZINC001210218710 814347427 /nfs/dbraw/zinc/34/74/27/814347427.db2.gz DUPORVWLWJIDSV-JTQLQIEISA-N -1 3 293.754 3.256 20 0 CGADHM [O-]c1c(Cl)cccc1Nc1ccc(-n2ccnn2)cc1 ZINC001210220271 814348772 /nfs/dbraw/zinc/34/87/72/814348772.db2.gz QAKAQIVHAKCRFE-UHFFFAOYSA-N -1 3 286.722 3.370 20 0 CGADHM COc1nc(Cl)ncc1Nc1cccc(Cl)c1[O-] ZINC001210220450 814348845 /nfs/dbraw/zinc/34/88/45/814348845.db2.gz WHOMRIOHKIOCOE-UHFFFAOYSA-N -1 3 286.118 3.241 20 0 CGADHM [O-]c1c(Cl)cccc1Nc1cccn2nccc12 ZINC001210220707 814349086 /nfs/dbraw/zinc/34/90/86/814349086.db2.gz YEIQADZVRYWKRS-UHFFFAOYSA-N -1 3 259.696 3.437 20 0 CGADHM CNC(=O)c1ccc(F)c(Nc2cccc(Cl)c2[O-])c1 ZINC001210223510 814350608 /nfs/dbraw/zinc/35/06/08/814350608.db2.gz XZHVDWZPNMAZON-UHFFFAOYSA-N -1 3 294.713 3.288 20 0 CGADHM O=C1Cc2ccc(Nc3cccc(Cl)c3[O-])cc2N1 ZINC001210222997 814351869 /nfs/dbraw/zinc/35/18/69/814351869.db2.gz GNQFOZJRMPKFNN-UHFFFAOYSA-N -1 3 274.707 3.284 20 0 CGADHM [O-]c1cccc(Nc2ccc(-n3ccnn3)cc2)c1Cl ZINC001210296931 814390833 /nfs/dbraw/zinc/39/08/33/814390833.db2.gz UZMDKUFQIWFUKF-UHFFFAOYSA-N -1 3 286.722 3.370 20 0 CGADHM COc1cc(Nc2cccc(Cl)c2[O-])c(OC)cn1 ZINC001210308853 814395803 /nfs/dbraw/zinc/39/58/03/814395803.db2.gz CYTCITMFXCHEBR-UHFFFAOYSA-N -1 3 280.711 3.201 20 0 CGADHM COc1ncc(Cl)cc1Nc1cc(F)c([O-])cc1F ZINC001210453872 814466271 /nfs/dbraw/zinc/46/62/71/814466271.db2.gz ZEPRCUAZRSEKEB-UHFFFAOYSA-N -1 3 286.665 3.471 20 0 CGADHM CCc1ncccc1Nc1cc(F)c([O-])cc1F ZINC001210469380 814475309 /nfs/dbraw/zinc/47/53/09/814475309.db2.gz SPWOCNUJRWIQBE-UHFFFAOYSA-N -1 3 250.248 3.371 20 0 CGADHM O=c1[nH]cc(Nc2cccc(Cl)c2[O-])cc1F ZINC001210600848 814549562 /nfs/dbraw/zinc/54/95/62/814549562.db2.gz FZESJCZVHMFVHH-UHFFFAOYSA-N -1 3 254.648 3.029 20 0 CGADHM CCOC(=O)c1nc(C)oc1Nc1cccc([O-])c1Cl ZINC001210853829 814650879 /nfs/dbraw/zinc/65/08/79/814650879.db2.gz LVPANDCMEFPKSV-UHFFFAOYSA-N -1 3 296.710 3.262 20 0 CGADHM CCOC(=O)c1cccnc1Nc1cccc([O-])c1Cl ZINC001210845189 814651044 /nfs/dbraw/zinc/65/10/44/814651044.db2.gz ULSXBJXYGVOCGP-UHFFFAOYSA-N -1 3 292.722 3.361 20 0 CGADHM [O-]c1cccc(Nc2cc3ccccn3n2)c1Cl ZINC001210855459 814652393 /nfs/dbraw/zinc/65/23/93/814652393.db2.gz OMRMAVXEUAQFRT-UHFFFAOYSA-N -1 3 259.696 3.437 20 0 CGADHM [O-]c1cccc(Nc2ccc(O)cc2O)c1Cl ZINC001210855468 814652440 /nfs/dbraw/zinc/65/24/40/814652440.db2.gz OYNWUHJLWQFKFJ-UHFFFAOYSA-N -1 3 251.669 3.200 20 0 CGADHM [O-]c1cccc(Nc2cccc(-n3cncn3)c2)c1Cl ZINC001210854588 814652552 /nfs/dbraw/zinc/65/25/52/814652552.db2.gz GLQFMBWZELVCTI-UHFFFAOYSA-N -1 3 286.722 3.370 20 0 CGADHM CN1Cc2c(cccc2Nc2cccc([O-])c2Cl)C1=O ZINC001210859708 814653372 /nfs/dbraw/zinc/65/33/72/814653372.db2.gz LBVIVGHNTLTSJP-UHFFFAOYSA-N -1 3 288.734 3.375 20 0 CGADHM COc1cc(CO)ccc1Nc1cccc([O-])c1Cl ZINC001210859936 814655124 /nfs/dbraw/zinc/65/51/24/814655124.db2.gz NAVJKWAKXLWGHJ-UHFFFAOYSA-N -1 3 279.723 3.290 20 0 CGADHM CSc1ccccc1Nc1ncc(F)cc1[O-] ZINC001211062961 814727596 /nfs/dbraw/zinc/72/75/96/814727596.db2.gz GWBDBJXKTDZDHX-UHFFFAOYSA-N -1 3 250.298 3.392 20 0 CGADHM CCOC(=O)c1cccc(Nc2ncc(Cl)cc2[O-])c1 ZINC001211203774 814846310 /nfs/dbraw/zinc/84/63/10/814846310.db2.gz BGGXJYGPLFOAOP-UHFFFAOYSA-N -1 3 292.722 3.361 20 0 CGADHM Cc1occc1[N-]c1nc2cccc(C(F)(F)F)n2n1 ZINC001211239568 814857126 /nfs/dbraw/zinc/85/71/26/814857126.db2.gz YRCLAADUZODMCL-UHFFFAOYSA-N -1 3 282.225 3.393 20 0 CGADHM O=c1cc(Nc2cc3ccccc3[nH]2)nc(C2CC2)[n-]1 ZINC001211304813 814876128 /nfs/dbraw/zinc/87/61/28/814876128.db2.gz AFNPZMYXZBBMGX-UHFFFAOYSA-N -1 3 266.304 3.285 20 0 CGADHM COCOc1ccccc1Nc1ncc(Cl)cc1[O-] ZINC001211556735 814907688 /nfs/dbraw/zinc/90/76/88/814907688.db2.gz TZMCBPRTABQSST-UHFFFAOYSA-N -1 3 280.711 3.167 20 0 CGADHM CSc1cc(Nc2cc(=O)[n-]c(C)n2)ccc1F ZINC001215793220 815593399 /nfs/dbraw/zinc/59/33/99/815593399.db2.gz HEVMHLSDEYQGSM-UHFFFAOYSA-N -1 3 265.313 3.095 20 0 CGADHM CSc1ccc(-c2ccccc2-c2nnn[n-]2)c(F)c1 ZINC001242812901 823142745 /nfs/dbraw/zinc/14/27/45/823142745.db2.gz BLOKGZNZXYCCLJ-UHFFFAOYSA-N -1 3 286.335 3.395 20 0 CGADHM CSc1ccc(-c2ccccc2-c2nn[n-]n2)c(F)c1 ZINC001242812901 823142746 /nfs/dbraw/zinc/14/27/46/823142746.db2.gz BLOKGZNZXYCCLJ-UHFFFAOYSA-N -1 3 286.335 3.395 20 0 CGADHM CC(C)c1nnc([N-]c2cc(Cl)cc(CO)c2)o1 ZINC001216434134 815827357 /nfs/dbraw/zinc/82/73/57/815827357.db2.gz UGCUEIWFHNXVIR-UHFFFAOYSA-N -1 3 267.716 3.082 20 0 CGADHM CC(C)(O)c1cc(F)cc(Nc2ncc(F)cc2[O-])c1 ZINC001216489904 815840332 /nfs/dbraw/zinc/84/03/32/815840332.db2.gz XGFGEHWYUBKJFH-UHFFFAOYSA-N -1 3 280.274 3.036 20 0 CGADHM Nc1c(Cl)cccc1Nc1ncc(Cl)cc1[O-] ZINC001216524325 815850160 /nfs/dbraw/zinc/85/01/60/815850160.db2.gz DJEWKPPDBWDIMJ-UHFFFAOYSA-N -1 3 270.119 3.420 20 0 CGADHM CC(C)(C)NC(=O)c1cncc(-c2ccc(F)c([O-])c2)c1 ZINC001243046825 823223974 /nfs/dbraw/zinc/22/39/74/823223974.db2.gz MOZGNBQSMYOODS-UHFFFAOYSA-N -1 3 288.322 3.122 20 0 CGADHM COc1cc2nc[nH]c2cc1-c1ccc(F)c([O-])c1 ZINC001243048108 823225252 /nfs/dbraw/zinc/22/52/52/823225252.db2.gz GTQVBFYWVVTTGG-UHFFFAOYSA-N -1 3 258.252 3.083 20 0 CGADHM COC(OC)c1cc(C)cnc1-c1ccc(F)c([O-])c1 ZINC001243049140 823225605 /nfs/dbraw/zinc/22/56/05/823225605.db2.gz PLGZIORFKUSZKB-UHFFFAOYSA-N -1 3 277.295 3.193 20 0 CGADHM Cn1c(=O)cc(-c2ccc(F)c([O-])c2)c2ccccc21 ZINC001243051378 823227659 /nfs/dbraw/zinc/22/76/59/823227659.db2.gz PIXKLSDUKIOAOZ-UHFFFAOYSA-N -1 3 269.275 3.050 20 0 CGADHM COc1nc(OC)c(-c2ccc(F)c([O-])c2)cc1SC ZINC001243051422 823228740 /nfs/dbraw/zinc/22/87/40/823228740.db2.gz PQQRZZPLUUXLAG-UHFFFAOYSA-N -1 3 295.335 3.332 20 0 CGADHM C[C@@H]1CCC[C@H](C)[C@H]1Oc1ccc2c([O-])coc2c1 ZINC001225340048 817017019 /nfs/dbraw/zinc/01/70/19/817017019.db2.gz AUZILBQJHQLFJM-CDMJZVDBSA-N -1 3 260.333 3.465 20 0 CGADHM C[C@@H](Cc1ccccc1)Oc1ccc2c([O-])coc2c1 ZINC001225341642 817017854 /nfs/dbraw/zinc/01/78/54/817017854.db2.gz CCWFVEIPUBMUDV-LBPRGKRZSA-N -1 3 268.312 3.272 20 0 CGADHM CC(C)Oc1cc(COc2ccc3c([O-])coc3c2)ccn1 ZINC001225340317 817018151 /nfs/dbraw/zinc/01/81/51/817018151.db2.gz IDAYDYKEKCWVGN-UHFFFAOYSA-N -1 3 299.326 3.023 20 0 CGADHM C[C@@H]1CCC[C@H](Oc2ccc3c([O-])coc3c2)[C@@H]1C ZINC001225341076 817018480 /nfs/dbraw/zinc/01/84/80/817018480.db2.gz XKSPXNACFUCLET-HFAKWTLXSA-N -1 3 260.333 3.465 20 0 CGADHM [O-]c1coc2cc(O[C@H]3CC4CCC3CC4)ccc12 ZINC001225343381 817019634 /nfs/dbraw/zinc/01/96/34/817019634.db2.gz VHJULOWGLMHSCK-NWHVRFAMSA-N -1 3 258.317 3.219 20 0 CGADHM COc1cccc([C@H](C)Oc2ccc3c([O-])coc3c2)c1 ZINC001225343576 817019843 /nfs/dbraw/zinc/01/98/43/817019843.db2.gz YYICCKGVCOGAKG-NSHDSACASA-N -1 3 284.311 3.410 20 0 CGADHM Cc1cnc(=S)[n-]c1O[C@@H](C)c1cccc(N(C)C)c1 ZINC001225741570 817163826 /nfs/dbraw/zinc/16/38/26/817163826.db2.gz XPSKWMYPWHVCOI-NSHDSACASA-N -1 3 289.404 3.280 20 0 CGADHM COc1cccc([C@H](C)Oc2[n-]c(=S)ncc2C)c1 ZINC001225743623 817164335 /nfs/dbraw/zinc/16/43/35/817164335.db2.gz YNEAJNCCBMELDH-JTQLQIEISA-N -1 3 276.361 3.222 20 0 CGADHM COC1=CC[C@H](Oc2[n-]c(=S)ncc2C2CC2)CC1 ZINC001226119205 817277907 /nfs/dbraw/zinc/27/79/07/817277907.db2.gz LJXGBNSSACSAMW-NSHDSACASA-N -1 3 278.377 3.104 20 0 CGADHM C[C@@H](Oc1[n-]c(=S)ncc1C1CC1)c1cccnc1 ZINC001226117903 817278199 /nfs/dbraw/zinc/27/81/99/817278199.db2.gz XISSVNSJOHZUCB-SECBINFHSA-N -1 3 273.361 3.178 20 0 CGADHM CCc1nc(O[C@@H]2CCc3c2cc(F)cc3F)cc(=O)[n-]1 ZINC001226474779 817368163 /nfs/dbraw/zinc/36/81/63/817368163.db2.gz GZVKFJSYJGWRSQ-GFCCVEGCSA-N -1 3 292.285 3.089 20 0 CGADHM CCc1nc(O[C@H](C)c2cccc(F)c2)cc(=O)[n-]1 ZINC001226473374 817369303 /nfs/dbraw/zinc/36/93/03/817369303.db2.gz WBDHATPFSVZNTN-SECBINFHSA-N -1 3 262.284 3.024 20 0 CGADHM Cc1cc(=O)oc2cc([O-])c(O[C@@H]3C[C@H]4CC[C@@H]3C4)cc12 ZINC001226532839 817388908 /nfs/dbraw/zinc/38/89/08/817388908.db2.gz VWMCFIWIKNVLDP-MISXGVKJSA-N -1 3 286.327 3.374 20 0 CGADHM O=c1ccc2ccc([O-])c(O[C@H]3CCCC[C@@H]3F)c2o1 ZINC001226598293 817409166 /nfs/dbraw/zinc/40/91/66/817409166.db2.gz CPSMSQGHSLDQIT-JQWIXIFHSA-N -1 3 278.279 3.158 20 0 CGADHM Cc1cc(O[C@H](C)c2ccccc2F)[n-]c(=S)n1 ZINC001226798474 817468802 /nfs/dbraw/zinc/46/88/02/817468802.db2.gz IKGIVTNHTIIEKL-SECBINFHSA-N -1 3 264.325 3.353 20 0 CGADHM COc1cnc(=O)[n-]c1O[C@@H](C)c1cc(Cl)ccc1C ZINC001226827886 817476576 /nfs/dbraw/zinc/47/65/76/817476576.db2.gz KPPWOZVCIODSCY-VIFPVBQESA-N -1 3 294.738 3.293 20 0 CGADHM FC(F)(F)[C@H](Oc1ccnc(=S)[n-]1)c1ccccc1 ZINC001226937252 817510212 /nfs/dbraw/zinc/51/02/12/817510212.db2.gz PANVYEYYSYENMJ-SNVBAGLBSA-N -1 3 286.278 3.448 20 0 CGADHM CC[C@@H](Oc1ccnc(=S)[n-]1)c1ccccc1F ZINC001226942278 817511285 /nfs/dbraw/zinc/51/12/85/817511285.db2.gz JZOZDLVJPSNKIF-LLVKDONJSA-N -1 3 264.325 3.435 20 0 CGADHM CC(C)Oc1ccc(COc2cc(=O)[n-]cn2)cc1Cl ZINC001226944713 817512429 /nfs/dbraw/zinc/51/24/29/817512429.db2.gz ILXKAHVDTJVYEY-UHFFFAOYSA-N -1 3 294.738 3.202 20 0 CGADHM CCc1cnc(=S)[n-]c1O[C@@H](C)c1ccc(C)nc1 ZINC001227062333 817548336 /nfs/dbraw/zinc/54/83/36/817548336.db2.gz UBLYKEMVBHELSF-JTQLQIEISA-N -1 3 275.377 3.171 20 0 CGADHM O=c1ccc(O[C@H]2Cc3cccc4cccc2c34)n[n-]1 ZINC001227094086 817556216 /nfs/dbraw/zinc/55/62/16/817556216.db2.gz AEWOREHWAPAOGD-ZDUSSCGKSA-N -1 3 264.284 3.012 20 0 CGADHM CC/C=C(\C)[C@@H](CC)Oc1[nH]c(=S)nc2nc[n-]c21 ZINC001227616014 817683244 /nfs/dbraw/zinc/68/32/44/817683244.db2.gz JGEDJOSXLNOZDR-BNICOGTQSA-N -1 3 278.381 3.155 20 0 CGADHM Cc1ccc2c(c1)[C@@H](Oc1[n-]c(=O)nc3cccnc31)CC2 ZINC001227999916 817779535 /nfs/dbraw/zinc/77/95/35/817779535.db2.gz HHXCVKGULNPOGG-AWEZNQCLSA-N -1 3 293.326 3.105 20 0 CGADHM CC1(C)CCC[C@@H](Oc2[n-]c(=O)nc3cccnc32)C1 ZINC001228003703 817780510 /nfs/dbraw/zinc/78/05/10/817780510.db2.gz DUWVXTOMUUEFLI-SNVBAGLBSA-N -1 3 273.336 3.078 20 0 CGADHM CC(C)OCCOc1cc(-c2ccccc2)nc(=S)[n-]1 ZINC001228346683 817883350 /nfs/dbraw/zinc/88/33/50/817883350.db2.gz LAPBEJAPORWAOD-UHFFFAOYSA-N -1 3 290.388 3.236 20 0 CGADHM Cc1cc(=O)oc2c1ccc([O-])c2O[C@@H](C)c1ccccn1 ZINC001228623309 817956024 /nfs/dbraw/zinc/95/60/24/817956024.db2.gz RCVZMTZKDOWYBP-NSHDSACASA-N -1 3 297.310 3.342 20 0 CGADHM CCC(CC)Oc1c([O-])ccc2c(C)cc(=O)oc21 ZINC001228628892 817956755 /nfs/dbraw/zinc/95/67/55/817956755.db2.gz KRILMYIJOKGYDZ-UHFFFAOYSA-N -1 3 262.305 3.374 20 0 CGADHM CCC[C@@H](Oc1nnc(-c2cccnc2)[n-]1)[C@H](C)CC ZINC001228697363 817977820 /nfs/dbraw/zinc/97/78/20/817977820.db2.gz IAECNKNTIGNPIM-DGCLKSJQSA-N -1 3 274.368 3.460 20 0 CGADHM CCC[C@@H](Oc1nc(-c2cccnc2)n[n-]1)[C@H](C)CC ZINC001228697363 817977825 /nfs/dbraw/zinc/97/78/25/817977825.db2.gz IAECNKNTIGNPIM-DGCLKSJQSA-N -1 3 274.368 3.460 20 0 CGADHM CCC[C@@H](Oc1n[n-]c(-c2cccnc2)n1)[C@H](C)CC ZINC001228697363 817977828 /nfs/dbraw/zinc/97/78/28/817977828.db2.gz IAECNKNTIGNPIM-DGCLKSJQSA-N -1 3 274.368 3.460 20 0 CGADHM CCC[C@H](C)[C@@H](CC)Oc1nnc(-c2cccnc2)[n-]1 ZINC001228699467 817979764 /nfs/dbraw/zinc/97/97/64/817979764.db2.gz XOPNLJPMJCOLEB-WCQYABFASA-N -1 3 274.368 3.460 20 0 CGADHM CCC[C@H](C)[C@@H](CC)Oc1nc(-c2cccnc2)n[n-]1 ZINC001228699467 817979770 /nfs/dbraw/zinc/97/97/70/817979770.db2.gz XOPNLJPMJCOLEB-WCQYABFASA-N -1 3 274.368 3.460 20 0 CGADHM CCC[C@H](C)[C@@H](CC)Oc1n[n-]c(-c2cccnc2)n1 ZINC001228699467 817979772 /nfs/dbraw/zinc/97/97/72/817979772.db2.gz XOPNLJPMJCOLEB-WCQYABFASA-N -1 3 274.368 3.460 20 0 CGADHM CCCC(CCC)Oc1cccc(-c2nnn[n-]2)c1 ZINC001231118627 818036759 /nfs/dbraw/zinc/03/67/59/818036759.db2.gz SKDJICYYKYZOPC-UHFFFAOYSA-N -1 3 260.341 3.214 20 0 CGADHM CCCC(CCC)Oc1cccc(-c2nn[n-]n2)c1 ZINC001231118627 818036766 /nfs/dbraw/zinc/03/67/66/818036766.db2.gz SKDJICYYKYZOPC-UHFFFAOYSA-N -1 3 260.341 3.214 20 0 CGADHM C[C@@H]1C[C@H](F)CN1Cc1ccc([O-])c(C(F)(F)F)c1 ZINC001231521285 818120916 /nfs/dbraw/zinc/12/09/16/818120916.db2.gz CTTZSPGLPKIKBL-SCZZXKLOSA-N -1 3 277.261 3.343 20 0 CGADHM CC(C)c1cc(-c2cccc(-c3nnn[n-]3)c2)ccc1O ZINC001243258804 823316768 /nfs/dbraw/zinc/31/67/68/823316768.db2.gz RPCUKIZHBDUSBN-UHFFFAOYSA-N -1 3 280.331 3.363 20 0 CGADHM CC(C)c1cc(-c2cccc(-c3nn[n-]n3)c2)ccc1O ZINC001243258804 823316774 /nfs/dbraw/zinc/31/67/74/823316774.db2.gz RPCUKIZHBDUSBN-UHFFFAOYSA-N -1 3 280.331 3.363 20 0 CGADHM COc1ccc(CN2CCCC(F)(F)CC2)cc1C(=O)[O-] ZINC001231750099 818166305 /nfs/dbraw/zinc/16/63/05/818166305.db2.gz WPNBHMFODHGBBO-UHFFFAOYSA-N -1 3 299.317 3.015 20 0 CGADHM CN(Cc1ccc(F)c([O-])c1F)C[C@@H]1CC1(C)C ZINC001232936809 818477310 /nfs/dbraw/zinc/47/73/10/818477310.db2.gz GUHARKSFMOWPDK-JTQLQIEISA-N -1 3 255.308 3.148 20 0 CGADHM [O-]c1cc(CN2CC[C@@H]3CCC[C@H]3C2)cc(F)c1F ZINC001232971059 818488806 /nfs/dbraw/zinc/48/88/06/818488806.db2.gz SKHVLBOKKGXQLW-RYUDHWBXSA-N -1 3 267.319 3.292 20 0 CGADHM C[C@@]1(CF)CC(F)(F)CN1Cc1cccc([O-])c1F ZINC001233050570 818511609 /nfs/dbraw/zinc/51/16/09/818511609.db2.gz QAJLFTGTVQWYBD-LBPRGKRZSA-N -1 3 277.261 3.101 20 0 CGADHM C[C@@H]1C(=O)CCN(Cc2cccc([O-])c2F)C12CCCC2 ZINC001233055005 818512595 /nfs/dbraw/zinc/51/25/95/818512595.db2.gz JAMRCTAABVYPKY-GFCCVEGCSA-N -1 3 291.366 3.255 20 0 CGADHM CN1CCN(Cc2ccc([S-])cc2)[C@@H](c2ccccc2)C1 ZINC001233258837 818558818 /nfs/dbraw/zinc/55/88/18/818558818.db2.gz WSWDTKZNRUBJGK-GOSISDBHSA-N -1 3 298.455 3.464 20 0 CGADHM [O-]c1ccc(F)c(CN2CC[C@@H](c3ccncc3)C2)c1F ZINC001233395577 818608496 /nfs/dbraw/zinc/60/84/96/818608496.db2.gz DGOOVRBKFASOEP-GFCCVEGCSA-N -1 3 290.313 3.055 20 0 CGADHM CCOC(=O)[C@@H]1CCC[C@H](Oc2cccc([O-])c2F)C1 ZINC001233873133 818721996 /nfs/dbraw/zinc/72/19/96/818721996.db2.gz WFIKFJXOFIKYCJ-MNOVXSKESA-N -1 3 282.311 3.032 20 0 CGADHM C[C@@H](Oc1c(Cl)ccc([O-])c1F)C(=O)OC(C)(C)C ZINC001234262797 818820044 /nfs/dbraw/zinc/82/00/44/818820044.db2.gz HWCZWJIDJLHUSU-SSDOTTSWSA-N -1 3 290.718 3.294 20 0 CGADHM C[C@@H](Oc1nc[n-]c(=O)c1-c1ccccc1)c1ccccn1 ZINC001234692674 818917503 /nfs/dbraw/zinc/91/75/03/818917503.db2.gz QXEYWHGCUSEUGY-GFCCVEGCSA-N -1 3 293.326 3.384 20 0 CGADHM COc1cc([O-])c(C)c(O[C@H]2C[C@H]3C=C[C@@H]2C3)c1C(C)=O ZINC001234792089 818924882 /nfs/dbraw/zinc/92/48/82/818924882.db2.gz WBGMOLCMEXDFGK-SCRDCRAPSA-N -1 3 288.343 3.255 20 0 CGADHM Cc1ccc([C@@H](C)Oc2nc3ccsc3[n-]2)cn1 ZINC001234848284 818931447 /nfs/dbraw/zinc/93/14/47/818931447.db2.gz OVHZPRRABNGAQH-SECBINFHSA-N -1 3 259.334 3.468 20 0 CGADHM Cc1ccc([C@@H](C)Oc2nc3sccc3[n-]2)cn1 ZINC001234848284 818931452 /nfs/dbraw/zinc/93/14/52/818931452.db2.gz OVHZPRRABNGAQH-SECBINFHSA-N -1 3 259.334 3.468 20 0 CGADHM CC1(C)C(=O)CCC[C@@H]1Oc1nc2ccsc2[n-]1 ZINC001234847585 818931718 /nfs/dbraw/zinc/93/17/18/818931718.db2.gz KHJKHQQQOBIQOG-JTQLQIEISA-N -1 3 264.350 3.151 20 0 CGADHM CC1(C)C(=O)CCC[C@@H]1Oc1nc2sccc2[n-]1 ZINC001234847585 818931723 /nfs/dbraw/zinc/93/17/23/818931723.db2.gz KHJKHQQQOBIQOG-JTQLQIEISA-N -1 3 264.350 3.151 20 0 CGADHM Cc1cn2c(n1)[C@@H](Oc1nc3ccsc3[n-]1)CCC2 ZINC001234846970 818932324 /nfs/dbraw/zinc/93/23/24/818932324.db2.gz FVCJYNTXVZQPCV-JTQLQIEISA-N -1 3 274.349 3.043 20 0 CGADHM Cc1nc2c(c(-c3cc([O-])cc(Cl)c3)n1)CCC2 ZINC001235898710 819207714 /nfs/dbraw/zinc/20/77/14/819207714.db2.gz MCPXUONUXQYWFW-UHFFFAOYSA-N -1 3 260.724 3.300 20 0 CGADHM COC(=O)c1ccnc(-c2cc([O-])cc(Cl)c2)c1F ZINC001235899017 819209041 /nfs/dbraw/zinc/20/90/41/819209041.db2.gz AKWDYHXLYAFAGU-UHFFFAOYSA-N -1 3 281.670 3.033 20 0 CGADHM Cc1noc(-c2ccc(-c3cc([O-])cc(Cl)c3)nc2)n1 ZINC001235899450 819209178 /nfs/dbraw/zinc/20/91/78/819209178.db2.gz HUSREYQARFQPSA-UHFFFAOYSA-N -1 3 287.706 3.466 20 0 CGADHM [O-]c1cc(Cl)cc(-c2cc3nccnc3cn2)c1 ZINC001235899089 819209367 /nfs/dbraw/zinc/20/93/67/819209367.db2.gz DHJXVWTWCQDCJY-UHFFFAOYSA-N -1 3 257.680 3.051 20 0 CGADHM COC(=O)c1ccc(C)nc1-c1cc([O-])cc(Cl)c1 ZINC001235900648 819210682 /nfs/dbraw/zinc/21/06/82/819210682.db2.gz VDINMBVGAHEWIJ-UHFFFAOYSA-N -1 3 277.707 3.203 20 0 CGADHM CC1(C)[C@@H]2CN(Cc3ccc(Br)c([O-])c3)C[C@@H]21 ZINC001236687110 819571800 /nfs/dbraw/zinc/57/18/00/819571800.db2.gz JTYAKIIBLRNKHA-PHIMTYICSA-N -1 3 296.208 3.243 20 0 CGADHM [O-]c1cc(CN2CCCC(F)(F)[C@@H](F)C2)ccc1F ZINC001236701042 819574916 /nfs/dbraw/zinc/57/49/16/819574916.db2.gz APRBLXCRNFMJSO-LBPRGKRZSA-N -1 3 277.261 3.101 20 0 CGADHM [O-]c1cc(CN2CCC(C(F)(F)F)CC2)ccc1F ZINC001236703503 819577745 /nfs/dbraw/zinc/57/77/45/819577745.db2.gz OIGGLLOKAUUHCY-UHFFFAOYSA-N -1 3 277.261 3.306 20 0 CGADHM C[C@@H]1Cc2ccccc2CN1Cc1ccc(F)c([O-])c1 ZINC001236712012 819580044 /nfs/dbraw/zinc/58/00/44/819580044.db2.gz YRURNXJHIUYHTH-GFCCVEGCSA-N -1 3 271.335 3.478 20 0 CGADHM Cc1ccc(-c2cc(Cl)ccc2N)cc1-c1nnn[n-]1 ZINC001243486102 823419184 /nfs/dbraw/zinc/41/91/84/823419184.db2.gz NCMCKWOIWMQFLF-UHFFFAOYSA-N -1 3 285.738 3.078 20 0 CGADHM Cc1ccc(-c2cc(Cl)ccc2N)cc1-c1nn[n-]n1 ZINC001243486102 823419186 /nfs/dbraw/zinc/41/91/86/823419186.db2.gz NCMCKWOIWMQFLF-UHFFFAOYSA-N -1 3 285.738 3.078 20 0 CGADHM O=c1[n-]c(Cl)c(CN2CCC23CCCC3)s1 ZINC001237159382 819684944 /nfs/dbraw/zinc/68/49/44/819684944.db2.gz XDEGHBSUAPHRIS-UHFFFAOYSA-N -1 3 258.774 3.021 20 0 CGADHM [O-]c1c(CN2C[C@H]3CC[C@@H]2C3)cc(Cl)nc1Cl ZINC001237536362 819773320 /nfs/dbraw/zinc/77/33/20/819773320.db2.gz BTFMOWYMXRPQQV-IONNQARKSA-N -1 3 273.163 3.078 20 0 CGADHM CSc1nc(C)cc(-c2cccc([O-])c2F)n1 ZINC001243541908 823435940 /nfs/dbraw/zinc/43/59/40/823435940.db2.gz HZTQRBGVRKOLNP-UHFFFAOYSA-N -1 3 250.298 3.019 20 0 CGADHM [O-]c1cccc(-c2cc(-c3ccccn3)ncn2)c1F ZINC001243544852 823437065 /nfs/dbraw/zinc/43/70/65/823437065.db2.gz WHLOQRQWTKHRRA-UHFFFAOYSA-N -1 3 267.263 3.050 20 0 CGADHM COC(=O)c1cc(F)cc(-c2cccc([O-])c2F)c1C ZINC001243545302 823438056 /nfs/dbraw/zinc/43/80/56/823438056.db2.gz CPPCVEDBHRMTPK-UHFFFAOYSA-N -1 3 278.254 3.432 20 0 CGADHM [O-]c1cccc(-c2ncnc3c2CCCCC3)c1F ZINC001243546409 823439010 /nfs/dbraw/zinc/43/90/10/823439010.db2.gz MDXJFFGBFJHIQZ-UHFFFAOYSA-N -1 3 258.296 3.257 20 0 CGADHM O=c1ccc2cc(-c3cccc([O-])c3F)ccc2o1 ZINC001243547555 823439657 /nfs/dbraw/zinc/43/96/57/823439657.db2.gz VFCYAWIHVJWWTD-UHFFFAOYSA-N -1 3 256.232 3.305 20 0 CGADHM Fc1c(Cl)cccc1-c1ccccc1-c1nnn[n-]1 ZINC001238957268 820168233 /nfs/dbraw/zinc/16/82/33/820168233.db2.gz NBERXHUIIPEARH-UHFFFAOYSA-N -1 3 274.686 3.326 20 0 CGADHM Fc1c(Cl)cccc1-c1ccccc1-c1nn[n-]n1 ZINC001238957268 820168237 /nfs/dbraw/zinc/16/82/37/820168237.db2.gz NBERXHUIIPEARH-UHFFFAOYSA-N -1 3 274.686 3.326 20 0 CGADHM Fc1ccc(-c2nnn[n-]2)cc1-c1cccc(Cl)c1F ZINC001238958739 820169413 /nfs/dbraw/zinc/16/94/13/820169413.db2.gz PXVBXTKJPNPHMH-UHFFFAOYSA-N -1 3 292.676 3.465 20 0 CGADHM Fc1ccc(-c2nn[n-]n2)cc1-c1cccc(Cl)c1F ZINC001238958739 820169418 /nfs/dbraw/zinc/16/94/18/820169418.db2.gz PXVBXTKJPNPHMH-UHFFFAOYSA-N -1 3 292.676 3.465 20 0 CGADHM [O-]c1cc(C(F)(F)F)ccc1-c1ccc2ncnn2c1F ZINC001243611772 823467190 /nfs/dbraw/zinc/46/71/90/823467190.db2.gz NDDRRJSTQNTSSR-UHFFFAOYSA-N -1 3 297.211 3.260 20 0 CGADHM CCOc1ccc(-c2cc(F)cc(-c3nnn[n-]3)c2)cc1 ZINC001239566219 820417876 /nfs/dbraw/zinc/41/78/76/820417876.db2.gz VSUFURYGCPPFDN-UHFFFAOYSA-N -1 3 284.294 3.072 20 0 CGADHM CCOc1ccc(-c2cc(F)cc(-c3nn[n-]n3)c2)cc1 ZINC001239566219 820417879 /nfs/dbraw/zinc/41/78/79/820417879.db2.gz VSUFURYGCPPFDN-UHFFFAOYSA-N -1 3 284.294 3.072 20 0 CGADHM CCc1ccccc1-c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001239745155 820567221 /nfs/dbraw/zinc/56/72/21/820567221.db2.gz CDGGYJRUBFQKTN-UHFFFAOYSA-N -1 3 268.295 3.235 20 0 CGADHM CCc1ccccc1-c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001239745155 820567227 /nfs/dbraw/zinc/56/72/27/820567227.db2.gz CDGGYJRUBFQKTN-UHFFFAOYSA-N -1 3 268.295 3.235 20 0 CGADHM CCc1ccccc1-c1cc(-c2nnn[n-]2)ccc1OC ZINC001239746102 820568659 /nfs/dbraw/zinc/56/86/59/820568659.db2.gz ORRJMSKZTSFOPH-UHFFFAOYSA-N -1 3 280.331 3.105 20 0 CGADHM CCc1ccccc1-c1cc(-c2nn[n-]n2)ccc1OC ZINC001239746102 820568662 /nfs/dbraw/zinc/56/86/62/820568662.db2.gz ORRJMSKZTSFOPH-UHFFFAOYSA-N -1 3 280.331 3.105 20 0 CGADHM Fc1cc2[nH]ccc2c(-c2cc(F)cc(-c3nnn[n-]3)c2)c1 ZINC001240042641 820799553 /nfs/dbraw/zinc/79/95/53/820799553.db2.gz MMJBNIFBGMQGCA-UHFFFAOYSA-N -1 3 297.268 3.293 20 0 CGADHM Fc1cc2[nH]ccc2c(-c2cc(F)cc(-c3nn[n-]n3)c2)c1 ZINC001240042641 820799557 /nfs/dbraw/zinc/79/95/57/820799557.db2.gz MMJBNIFBGMQGCA-UHFFFAOYSA-N -1 3 297.268 3.293 20 0 CGADHM S=c1ccc(-c2cccc(N3CCCCC3)c2)n[n-]1 ZINC001240251501 820919543 /nfs/dbraw/zinc/91/95/43/820919543.db2.gz ZCOCXRLKRXAWRE-UHFFFAOYSA-N -1 3 271.389 3.423 20 0 CGADHM CC(=O)NCc1cccc(-c2ccc3c(c2)[N-]C(=S)C3)c1 ZINC001240353638 820987988 /nfs/dbraw/zinc/98/79/88/820987988.db2.gz PPIKDJWXEVPPIV-UHFFFAOYSA-N -1 3 296.395 3.285 20 0 CGADHM c1cc2cc(-c3ccc(-c4nnn[n-]4)cc3)ccc2o1 ZINC001240425835 821046970 /nfs/dbraw/zinc/04/69/70/821046970.db2.gz IJWGOGOFTQSGHX-UHFFFAOYSA-N -1 3 262.272 3.280 20 0 CGADHM c1cc2cc(-c3ccc(-c4nn[n-]n4)cc3)ccc2o1 ZINC001240425835 821046975 /nfs/dbraw/zinc/04/69/75/821046975.db2.gz IJWGOGOFTQSGHX-UHFFFAOYSA-N -1 3 262.272 3.280 20 0 CGADHM CC(C)(O)c1cncc(-c2ccc3c(c2)[N-]C(=S)C3)c1 ZINC001240669053 821229811 /nfs/dbraw/zinc/22/98/11/821229811.db2.gz NGBPISKWBUVEIB-UHFFFAOYSA-N -1 3 284.384 3.271 20 0 CGADHM COC(=O)c1cccc(F)c1-c1cc(F)ccc1[O-] ZINC001240698744 821255899 /nfs/dbraw/zinc/25/58/99/821255899.db2.gz RIORAXLTXMYSPA-UHFFFAOYSA-N -1 3 264.227 3.124 20 0 CGADHM COc1cnc(-c2ccc([O-])c(F)c2)c2[nH]ccc21 ZINC001240782113 821320651 /nfs/dbraw/zinc/32/06/51/821320651.db2.gz PYCVNQXWSQAOPT-UHFFFAOYSA-N -1 3 258.252 3.083 20 0 CGADHM Cc1cc(-c2ccc([O-])c(F)c2)nc(-c2cccnc2)n1 ZINC001240782752 821321063 /nfs/dbraw/zinc/32/10/63/821321063.db2.gz HYPMCSNKEUDLKD-UHFFFAOYSA-N -1 3 281.290 3.359 20 0 CGADHM COc1cccc2c(-c3ccc([O-])c(F)c3)ncnc12 ZINC001240783550 821323760 /nfs/dbraw/zinc/32/37/60/821323760.db2.gz UNJPTDIPUCRIKR-UHFFFAOYSA-N -1 3 270.263 3.150 20 0 CGADHM COc1cc(OC)c(-c2ccc([O-])c(F)c2)c(OC)c1 ZINC001240786200 821326310 /nfs/dbraw/zinc/32/63/10/821326310.db2.gz AVVDAWCGNKGVIV-UHFFFAOYSA-N -1 3 278.279 3.224 20 0 CGADHM Cc1nc(-c2ccncc2)cc(-c2ccc([O-])c(F)c2)n1 ZINC001240786227 821326828 /nfs/dbraw/zinc/32/68/28/821326828.db2.gz QIIUCUOURQAOTR-UHFFFAOYSA-N -1 3 281.290 3.359 20 0 CGADHM [O-]c1ccc(-c2ccc(OC(F)(F)F)nc2)cc1F ZINC001240786867 821327379 /nfs/dbraw/zinc/32/73/79/821327379.db2.gz ZDQNSNXQCHPTNP-UHFFFAOYSA-N -1 3 273.185 3.492 20 0 CGADHM COC(=O)Cc1ccc(-c2ccc([O-])c(F)c2)cc1F ZINC001240787548 821328968 /nfs/dbraw/zinc/32/89/68/821328968.db2.gz KMDFHKFKKTXRPJ-UHFFFAOYSA-N -1 3 278.254 3.053 20 0 CGADHM COc1cc(-c2ccc([O-])c(F)c2)cc(OC)c1OC ZINC001240787314 821329490 /nfs/dbraw/zinc/32/94/90/821329490.db2.gz XJSNCGIYSIFRGV-UHFFFAOYSA-N -1 3 278.279 3.224 20 0 CGADHM COC(=O)c1ccc(N(C)C)c(-c2ccc([O-])c(F)c2)c1 ZINC001240787767 821329772 /nfs/dbraw/zinc/32/97/72/821329772.db2.gz POJCOCLMTCJWKY-UHFFFAOYSA-N -1 3 289.306 3.051 20 0 CGADHM COc1ccc(C(F)(F)F)cc1-c1ccc(=S)[n-]n1 ZINC001240823408 821358326 /nfs/dbraw/zinc/35/83/26/821358326.db2.gz KYBFRDXGIYEOEO-UHFFFAOYSA-N -1 3 286.278 3.460 20 0 CGADHM CC(C)(C)C(=O)Nc1cccc(-c2ccccc2[O-])n1 ZINC001241001834 821480480 /nfs/dbraw/zinc/48/04/80/821480480.db2.gz JJVSNYPMMKCAOE-UHFFFAOYSA-N -1 3 270.332 3.439 20 0 CGADHM COc1ccc2ncnc(-c3ccccc3[O-])c2c1 ZINC001241002176 821481182 /nfs/dbraw/zinc/48/11/82/821481182.db2.gz VCETVGVKQQRYHS-UHFFFAOYSA-N -1 3 252.273 3.011 20 0 CGADHM COC(=O)c1cc(-c2ccccc2[O-])ncc1C(F)(F)F ZINC001241003016 821481810 /nfs/dbraw/zinc/48/18/10/821481810.db2.gz FEOQHZDJGFOHIY-UHFFFAOYSA-N -1 3 297.232 3.260 20 0 CGADHM CCCCOc1ccccc1-c1cncc(-c2nnn[n-]2)c1 ZINC001241022409 821497955 /nfs/dbraw/zinc/49/79/55/821497955.db2.gz UGPAVRINMQEIHW-UHFFFAOYSA-N -1 3 295.346 3.108 20 0 CGADHM CCCCOc1ccccc1-c1cncc(-c2nn[n-]n2)c1 ZINC001241022409 821497960 /nfs/dbraw/zinc/49/79/60/821497960.db2.gz UGPAVRINMQEIHW-UHFFFAOYSA-N -1 3 295.346 3.108 20 0 CGADHM CCOc1ccc(F)cc1-c1ccc(-c2nnn[n-]2)cc1 ZINC001241103465 821560358 /nfs/dbraw/zinc/56/03/58/821560358.db2.gz IORUQTZCZSFNBH-UHFFFAOYSA-N -1 3 284.294 3.072 20 0 CGADHM CCOc1ccc(F)cc1-c1ccc(-c2nn[n-]n2)cc1 ZINC001241103465 821560362 /nfs/dbraw/zinc/56/03/62/821560362.db2.gz IORUQTZCZSFNBH-UHFFFAOYSA-N -1 3 284.294 3.072 20 0 CGADHM CCOc1ccc(-c2ccc(-c3nnn[n-]3)c(F)c2)cc1C ZINC001241199072 821633436 /nfs/dbraw/zinc/63/34/36/821633436.db2.gz YYDLDTDXFVIEBI-UHFFFAOYSA-N -1 3 298.321 3.380 20 0 CGADHM CCOc1ccc(-c2ccc(-c3nn[n-]n3)c(F)c2)cc1C ZINC001241199072 821633442 /nfs/dbraw/zinc/63/34/42/821633442.db2.gz YYDLDTDXFVIEBI-UHFFFAOYSA-N -1 3 298.321 3.380 20 0 CGADHM Fc1cc(-c2nnn[n-]2)cc(-c2ccc(Cl)c(F)c2)c1 ZINC001241232322 821657014 /nfs/dbraw/zinc/65/70/14/821657014.db2.gz DXGHJCXEKLULAJ-UHFFFAOYSA-N -1 3 292.676 3.465 20 0 CGADHM Fc1cc(-c2nn[n-]n2)cc(-c2ccc(Cl)c(F)c2)c1 ZINC001241232322 821657018 /nfs/dbraw/zinc/65/70/18/821657018.db2.gz DXGHJCXEKLULAJ-UHFFFAOYSA-N -1 3 292.676 3.465 20 0 CGADHM O=c1ccc2cccc(-c3cc([O-])cc(F)c3)c2o1 ZINC001241272020 821691384 /nfs/dbraw/zinc/69/13/84/821691384.db2.gz LWWNXKXRGANWJR-UHFFFAOYSA-N -1 3 256.232 3.305 20 0 CGADHM O=c1cc(-c2cc([O-])cc(F)c2)ccn1-c1ccc(F)cc1 ZINC001241280492 821698717 /nfs/dbraw/zinc/69/87/17/821698717.db2.gz NUHGMIMSUWCRBY-UHFFFAOYSA-N -1 3 299.276 3.488 20 0 CGADHM CC(C)Cn1ccc(-c2cc([O-])cc(F)c2)cc1=O ZINC001241280710 821699669 /nfs/dbraw/zinc/69/96/69/821699669.db2.gz SLDVQVATUUYCQD-UHFFFAOYSA-N -1 3 261.296 3.016 20 0 CGADHM O=c1ccc(-c2cc([O-])cc(F)c2)cn1-c1ccccc1F ZINC001241280912 821699819 /nfs/dbraw/zinc/69/98/19/821699819.db2.gz YNWHWTHGDCMWET-UHFFFAOYSA-N -1 3 299.276 3.488 20 0 CGADHM [O-]c1ccc(F)c(-c2cc(N3CCCC3)ccn2)c1F ZINC001241289064 821706540 /nfs/dbraw/zinc/70/65/40/821706540.db2.gz JEUPLGRLRQVVQH-UHFFFAOYSA-N -1 3 276.286 3.333 20 0 CGADHM [O-]c1ccc(F)c(-c2cccc3c2OCCO3)c1F ZINC001241292899 821710352 /nfs/dbraw/zinc/71/03/52/821710352.db2.gz MMCHGAMWDGXJQE-UHFFFAOYSA-N -1 3 264.227 3.109 20 0 CGADHM CCS(=O)(=O)c1ccc(-c2c(F)ccc([O-])c2F)cc1 ZINC001241292889 821710411 /nfs/dbraw/zinc/71/04/11/821710411.db2.gz LUBBMYRVZMRJMZ-UHFFFAOYSA-N -1 3 298.310 3.131 20 0 CGADHM CC(=O)Oc1cccc(-c2c(F)ccc([O-])c2F)c1 ZINC001241292982 821711257 /nfs/dbraw/zinc/71/12/57/821711257.db2.gz LUNXVBSUUZXGMQ-UHFFFAOYSA-N -1 3 264.227 3.263 20 0 CGADHM [O-]c1ccc(F)c(-c2ccc3c(c2)OCCN3)c1F ZINC001241294346 821712255 /nfs/dbraw/zinc/71/22/55/821712255.db2.gz RNSKEPCMILQXRZ-UHFFFAOYSA-N -1 3 263.243 3.142 20 0 CGADHM NC(=O)c1cc2cc(-c3c(F)ccc([O-])c3F)ccc2o1 ZINC001241294290 821713053 /nfs/dbraw/zinc/71/30/53/821713053.db2.gz ZHBOIMOATMAING-UHFFFAOYSA-N -1 3 289.237 3.183 20 0 CGADHM C[S@](=N)(=O)c1ccc(-c2c(F)ccc([O-])c2F)cc1 ZINC001241294291 821713096 /nfs/dbraw/zinc/71/30/96/821713096.db2.gz ZJVYNRFYNOEPCL-IBGZPJMESA-N -1 3 283.299 3.373 20 0 CGADHM Fc1ccc(-c2nnn[n-]2)cc1-c1ccc2ncccc2c1 ZINC001241398762 821796043 /nfs/dbraw/zinc/79/60/43/821796043.db2.gz HEDGGUZZHVBVMJ-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Fc1ccc(-c2nn[n-]n2)cc1-c1ccc2ncccc2c1 ZINC001241398762 821796048 /nfs/dbraw/zinc/79/60/48/821796048.db2.gz HEDGGUZZHVBVMJ-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Fc1c(F)c(F)c(-c2ccc(=S)[n-]n2)c(F)c1F ZINC001241406586 821803406 /nfs/dbraw/zinc/80/34/06/821803406.db2.gz LEDOCGDVYQXAPY-UHFFFAOYSA-N -1 3 278.205 3.128 20 0 CGADHM CCc1cccc(-c2ccc(-c3nnn[n-]3)cc2)c1 ZINC001241444384 821837687 /nfs/dbraw/zinc/83/76/87/821837687.db2.gz AKODXMQVJPZVBC-UHFFFAOYSA-N -1 3 250.305 3.096 20 0 CGADHM CCc1cccc(-c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001241444384 821837690 /nfs/dbraw/zinc/83/76/90/821837690.db2.gz AKODXMQVJPZVBC-UHFFFAOYSA-N -1 3 250.305 3.096 20 0 CGADHM c1cnc2cc(-c3ccc(-c4nnn[n-]4)cc3)ccc2c1 ZINC001241443622 821838198 /nfs/dbraw/zinc/83/81/98/821838198.db2.gz VKTLOAWPTVAOSR-UHFFFAOYSA-N -1 3 273.299 3.082 20 0 CGADHM c1cnc2cc(-c3ccc(-c4nn[n-]n4)cc3)ccc2c1 ZINC001241443622 821838202 /nfs/dbraw/zinc/83/82/02/821838202.db2.gz VKTLOAWPTVAOSR-UHFFFAOYSA-N -1 3 273.299 3.082 20 0 CGADHM Fc1cc2[nH]ccc2cc1-c1ccc(-c2nnn[n-]2)cc1 ZINC001241445886 821839865 /nfs/dbraw/zinc/83/98/65/821839865.db2.gz ZWSSTZAMUISXQF-UHFFFAOYSA-N -1 3 279.278 3.154 20 0 CGADHM Fc1cc2[nH]ccc2cc1-c1ccc(-c2nn[n-]n2)cc1 ZINC001241445886 821839870 /nfs/dbraw/zinc/83/98/70/821839870.db2.gz ZWSSTZAMUISXQF-UHFFFAOYSA-N -1 3 279.278 3.154 20 0 CGADHM Fc1ccc(-c2ccc(-c3nnn[n-]3)cc2)c2ccncc12 ZINC001241445430 821840086 /nfs/dbraw/zinc/84/00/86/821840086.db2.gz NBBDZHHFOGWSJD-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Fc1ccc(-c2ccc(-c3nn[n-]n3)cc2)c2ccncc12 ZINC001241445430 821840092 /nfs/dbraw/zinc/84/00/92/821840092.db2.gz NBBDZHHFOGWSJD-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM c1cc2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc2o1 ZINC001241445647 821840428 /nfs/dbraw/zinc/84/04/28/821840428.db2.gz SAESTCVBDFTBCT-UHFFFAOYSA-N -1 3 262.272 3.280 20 0 CGADHM c1cc2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc2o1 ZINC001241445647 821840437 /nfs/dbraw/zinc/84/04/37/821840437.db2.gz SAESTCVBDFTBCT-UHFFFAOYSA-N -1 3 262.272 3.280 20 0 CGADHM Cc1cnc(OC(C)C)c(-c2ccc(-c3nnn[n-]3)cc2)c1 ZINC001241445316 821841551 /nfs/dbraw/zinc/84/15/51/821841551.db2.gz LSJVZDOMKZWLOK-UHFFFAOYSA-N -1 3 295.346 3.024 20 0 CGADHM Cc1cnc(OC(C)C)c(-c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001241445316 821841555 /nfs/dbraw/zinc/84/15/55/821841555.db2.gz LSJVZDOMKZWLOK-UHFFFAOYSA-N -1 3 295.346 3.024 20 0 CGADHM Cc1c[nH]c2cc(-c3ccc(-c4nnn[n-]4)cc3)ccc12 ZINC001241445965 821842056 /nfs/dbraw/zinc/84/20/56/821842056.db2.gz YMHRVDMOTPZWOX-UHFFFAOYSA-N -1 3 275.315 3.323 20 0 CGADHM Cc1c[nH]c2cc(-c3ccc(-c4nn[n-]n4)cc3)ccc12 ZINC001241445965 821842063 /nfs/dbraw/zinc/84/20/63/821842063.db2.gz YMHRVDMOTPZWOX-UHFFFAOYSA-N -1 3 275.315 3.323 20 0 CGADHM CCCOc1cccc(-c2ccc(Cc3nnn[n-]3)cc2)c1 ZINC001241590724 821975437 /nfs/dbraw/zinc/97/54/37/821975437.db2.gz MUVZONDIISFTNW-UHFFFAOYSA-N -1 3 294.358 3.246 20 0 CGADHM CCCOc1cccc(-c2ccc(Cc3nn[n-]n3)cc2)c1 ZINC001241590724 821975448 /nfs/dbraw/zinc/97/54/48/821975448.db2.gz MUVZONDIISFTNW-UHFFFAOYSA-N -1 3 294.358 3.246 20 0 CGADHM Fc1cc(-c2ccc3scnc3c2)ccc1-c1nnn[n-]1 ZINC001241869204 822187929 /nfs/dbraw/zinc/18/79/29/822187929.db2.gz BTKXIWOGERJSMV-UHFFFAOYSA-N -1 3 297.318 3.283 20 0 CGADHM Fc1cc(-c2ccc3scnc3c2)ccc1-c1nn[n-]n1 ZINC001241869204 822187932 /nfs/dbraw/zinc/18/79/32/822187932.db2.gz BTKXIWOGERJSMV-UHFFFAOYSA-N -1 3 297.318 3.283 20 0 CGADHM COC(=O)c1ccc(-c2ccc(F)cc2[O-])c(C)c1 ZINC001242218188 822914792 /nfs/dbraw/zinc/91/47/92/822914792.db2.gz XAJGWTURTIOJHN-UHFFFAOYSA-N -1 3 260.264 3.293 20 0 CGADHM CC(=O)Nc1ccc(C)c(-c2ccc(F)cc2[O-])c1 ZINC001242218138 822914884 /nfs/dbraw/zinc/91/48/84/822914884.db2.gz URABKIKFQAXYAN-UHFFFAOYSA-N -1 3 259.280 3.465 20 0 CGADHM COC(=O)Nc1cccc(-c2ccc(F)cc2[O-])c1 ZINC001242218609 822915737 /nfs/dbraw/zinc/91/57/37/822915737.db2.gz HGASMSYZZVHQBC-UHFFFAOYSA-N -1 3 261.252 3.377 20 0 CGADHM CC1(C)NC(=O)Cc2cc(-c3ccc(F)cc3[O-])ccc21 ZINC001242219805 822916042 /nfs/dbraw/zinc/91/60/42/822916042.db2.gz ROLBHSJOUONEPQ-UHFFFAOYSA-N -1 3 285.318 3.106 20 0 CGADHM [O-]c1cc(F)ccc1-c1ccc2c(c1)CCC21OCCO1 ZINC001242221983 822917265 /nfs/dbraw/zinc/91/72/65/822917265.db2.gz QNTBEDSROVRMCW-UHFFFAOYSA-N -1 3 286.302 3.344 20 0 CGADHM COC(=O)Cc1ccc(-c2cccc(F)c2[O-])cc1F ZINC001242351894 822961960 /nfs/dbraw/zinc/96/19/60/822961960.db2.gz ADAHBGNOQOJBSW-UHFFFAOYSA-N -1 3 278.254 3.053 20 0 CGADHM Nc1cnc2c(cccc2-c2cccc(F)c2[O-])c1 ZINC001242352177 822961985 /nfs/dbraw/zinc/96/19/85/822961985.db2.gz PRXKLVFEEQOPIN-UHFFFAOYSA-N -1 3 254.264 3.329 20 0 CGADHM [O-]c1c(F)cccc1-c1ccc(OC2CCOCC2)nc1 ZINC001242353287 822962757 /nfs/dbraw/zinc/96/27/57/822962757.db2.gz YDCUXUIJRZMLCG-UHFFFAOYSA-N -1 3 289.306 3.151 20 0 CGADHM CC1(C)C(=O)NCc2cc(-c3cccc(F)c3[O-])ccc21 ZINC001242354435 822963685 /nfs/dbraw/zinc/96/36/85/822963685.db2.gz ZUELMIYGXNUOJG-UHFFFAOYSA-N -1 3 285.318 3.106 20 0 CGADHM CC(C)c1nc(CN[C@@](C)(CC(=O)[O-])C(C)C)cs1 ZINC001339134480 936352851 /nfs/dbraw/zinc/35/28/51/936352851.db2.gz NIGWWBQABSNKDD-AWEZNQCLSA-N -1 3 284.425 3.246 20 0 CGADHM COC(=O)C[C@@H](C)Oc1cc([O-])c(C(C)C)cc1C(C)=O ZINC001228959380 927312366 /nfs/dbraw/zinc/31/23/66/927312366.db2.gz YKQNWRSVYWREMH-SNVBAGLBSA-N -1 3 294.347 3.049 20 0 CGADHM CCCn1cc(C(=O)Nc2ccc(Cl)cc2[O-])c(C)n1 ZINC001358090393 937187312 /nfs/dbraw/zinc/18/73/12/937187312.db2.gz HARJAFLPESQASL-UHFFFAOYSA-N -1 3 293.754 3.213 20 0 CGADHM COc1ccc([C@@H](C)[N-]C(=O)C(F)(F)C(F)F)cc1C ZINC001439745008 937321508 /nfs/dbraw/zinc/32/15/08/937321508.db2.gz UJAOYQFAZVJPMW-MRVPVSSYSA-N -1 3 293.260 3.081 20 0 CGADHM Cc1ccc(C(=O)N[C@@H]2C[C@H](OC(C)C)C2(C)C)c([O-])c1 ZINC001447370229 937368204 /nfs/dbraw/zinc/36/82/04/937368204.db2.gz HATIEVZPWQAWJF-CABCVRRESA-N -1 3 291.391 3.023 20 0 CGADHM CCCc1ccc(CCCC(=O)[N-]OC(C)C)cc1 ZINC001450278512 937384432 /nfs/dbraw/zinc/38/44/32/937384432.db2.gz XQGUECDWGVHMOR-UHFFFAOYSA-N -1 3 263.381 3.418 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2cc(F)cc(N(C)C)c2)c1 ZINC001452799711 937398348 /nfs/dbraw/zinc/39/83/48/937398348.db2.gz XYAIIUXXENQXJB-UHFFFAOYSA-N -1 3 288.322 3.158 20 0 CGADHM O=C(N[C@H]1c2ccccc2CC[C@@H]1F)c1ccccc1[O-] ZINC001455171132 937415268 /nfs/dbraw/zinc/41/52/68/937415268.db2.gz RWSMWDLUEXJHHT-HOCLYGCPSA-N -1 3 285.318 3.148 20 0 CGADHM O=C(/C=C/c1ccc2[nH]ccc2c1)[N-]Oc1ccccc1F ZINC001455484547 937418644 /nfs/dbraw/zinc/41/86/44/937418644.db2.gz YSNZLAUTVGWRDM-SOFGYWHQSA-N -1 3 296.301 3.430 20 0 CGADHM CCOc1nc(Sc2ccccc2[O-])ncc1Cl ZINC001458519865 937467201 /nfs/dbraw/zinc/46/72/01/937467201.db2.gz CVPNCMBIVVZETL-UHFFFAOYSA-N -1 3 282.752 3.386 20 0 CGADHM Cc1cc(C(=O)[N-]c2cscc2Br)on1 ZINC001460423316 937530871 /nfs/dbraw/zinc/53/08/71/937530871.db2.gz BHZJPNKKOPULAH-UHFFFAOYSA-N -1 3 287.138 3.059 20 0 CGADHM CC[C@H](C)Oc1cc(O)cc([O-])c1Br ZINC001229099053 932094161 /nfs/dbraw/zinc/09/41/61/932094161.db2.gz JCUXKLYOZKIJRI-LURJTMIESA-N -1 3 261.115 3.038 20 0 CGADHM C[C@@H](Oc1cccc([O-])c1Br)C1CC1 ZINC001229139608 932103548 /nfs/dbraw/zinc/10/35/48/932103548.db2.gz IXWKOLRJDAUYEV-SSDOTTSWSA-N -1 3 257.127 3.332 20 0 CGADHM COc1cc(-c2nnn[n-]2)ccc1O[C@@H](C)c1ccccc1 ZINC001229339600 932135755 /nfs/dbraw/zinc/13/57/55/932135755.db2.gz NAXVKRVVSDZSLI-NSHDSACASA-N -1 3 296.330 3.015 20 0 CGADHM COc1cc(-c2nn[n-]n2)ccc1O[C@@H](C)c1ccccc1 ZINC001229339600 932135759 /nfs/dbraw/zinc/13/57/59/932135759.db2.gz NAXVKRVVSDZSLI-NSHDSACASA-N -1 3 296.330 3.015 20 0 CGADHM Cc1csc2[n-]c(=S)nc(O[C@H]3C=CCC3)c12 ZINC001229351952 932139098 /nfs/dbraw/zinc/13/90/98/932139098.db2.gz DYRFRWIZJYTYEU-QMMMGPOBSA-N -1 3 264.375 3.386 20 0 CGADHM C[C@@H]1CCC[C@H](C)[C@H]1Oc1ccccc1-c1nnn[n-]1 ZINC001229953742 932507995 /nfs/dbraw/zinc/50/79/95/932507995.db2.gz DFOZMYOXISVBJS-YABSGUDNSA-N -1 3 272.352 3.070 20 0 CGADHM C[C@@H]1CCC[C@H](C)[C@H]1Oc1ccccc1-c1nn[n-]n1 ZINC001229953742 932508000 /nfs/dbraw/zinc/50/80/00/932508000.db2.gz DFOZMYOXISVBJS-YABSGUDNSA-N -1 3 272.352 3.070 20 0 CGADHM CCCC(CCC)Oc1ccccc1-c1nnn[n-]1 ZINC001229953840 932508129 /nfs/dbraw/zinc/50/81/29/932508129.db2.gz DRWVOVGYNOLGTI-UHFFFAOYSA-N -1 3 260.341 3.214 20 0 CGADHM CCCC(CCC)Oc1ccccc1-c1nn[n-]n1 ZINC001229953840 932508131 /nfs/dbraw/zinc/50/81/31/932508131.db2.gz DRWVOVGYNOLGTI-UHFFFAOYSA-N -1 3 260.341 3.214 20 0 CGADHM CC1(C)[C@@H]2CC[C@@]1(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C2 ZINC001229955611 932510305 /nfs/dbraw/zinc/51/03/05/932510305.db2.gz WHKIOLHKUFUOSA-ZLENFMNRSA-N -1 3 298.390 3.460 20 0 CGADHM CC1(C)[C@@H]2CC[C@@]1(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C2 ZINC001229955611 932510310 /nfs/dbraw/zinc/51/03/10/932510310.db2.gz WHKIOLHKUFUOSA-ZLENFMNRSA-N -1 3 298.390 3.460 20 0 CGADHM COc1ccccc1[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC001229956990 932510596 /nfs/dbraw/zinc/51/05/96/932510596.db2.gz HVAGTGLBDYAUJH-LLVKDONJSA-N -1 3 296.330 3.015 20 0 CGADHM COc1ccccc1[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC001229956990 932510599 /nfs/dbraw/zinc/51/05/99/932510599.db2.gz HVAGTGLBDYAUJH-LLVKDONJSA-N -1 3 296.330 3.015 20 0 CGADHM C[C@H]1CCC[C@H](C)C1Oc1ccc(-c2nn[n-]n2)cc1 ZINC001231076774 932672251 /nfs/dbraw/zinc/67/22/51/932672251.db2.gz MERNOWOWBNPWHY-QWRGUYRKSA-N -1 3 272.352 3.070 20 0 CGADHM O=c1nc2cccc(F)c2c(O[C@H]2CCCC[C@@H]2F)[n-]1 ZINC001231075288 932672824 /nfs/dbraw/zinc/67/28/24/932672824.db2.gz ZOQSKHRRNKJRAS-KWQFWETISA-N -1 3 280.274 3.134 20 0 CGADHM CC[C@@H](C)CC[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001231076777 932672980 /nfs/dbraw/zinc/67/29/80/932672980.db2.gz MFXSMJMDQLPNPN-NEPJUHHUSA-N -1 3 274.368 3.460 20 0 CGADHM Cc1c([N-]C(=O)c2coc(C3CC3)n2)noc1C(C)(C)C ZINC001462265437 937628331 /nfs/dbraw/zinc/62/83/31/937628331.db2.gz CCUNPHIOGUZFLP-UHFFFAOYSA-N -1 3 289.335 3.398 20 0 CGADHM CSc1ccc([O-])c(C(=O)N[C@@H]2CC[C@H](C)C2)c1 ZINC001303675651 932832150 /nfs/dbraw/zinc/83/21/50/932832150.db2.gz FBTMDIZDBISVKN-VHSXEESVSA-N -1 3 265.378 3.033 20 0 CGADHM Cc1cc([N-]C(=O)c2ccc(SC(F)(F)F)o2)no1 ZINC001463794176 937680801 /nfs/dbraw/zinc/68/08/01/937680801.db2.gz YPIOHWMELMKHFU-UHFFFAOYSA-N -1 3 292.238 3.440 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)[C@H]2CC3CCC2CC3)o1 ZINC001463992876 937684056 /nfs/dbraw/zinc/68/40/56/937684056.db2.gz LBRJJBCVWJPUHV-GFJIZPEISA-N -1 3 297.420 3.081 20 0 CGADHM CCC[C@@H](C)NC(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC001464266652 937688623 /nfs/dbraw/zinc/68/86/23/937688623.db2.gz GBJKRQCZRQRGGH-SECBINFHSA-N -1 3 292.766 3.100 20 0 CGADHM CC[C@@H]1CCC[C@]1(C)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC001464609546 937693474 /nfs/dbraw/zinc/69/34/74/937693474.db2.gz HFTHPOPBMZCVGQ-WBMJQRKESA-N -1 3 299.378 3.022 20 0 CGADHM CC[C@@H]1CCC[C@]1(C)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001464609546 937693475 /nfs/dbraw/zinc/69/34/75/937693475.db2.gz HFTHPOPBMZCVGQ-WBMJQRKESA-N -1 3 299.378 3.022 20 0 CGADHM CCS[C@H]1CCC[C@H]1NC(=O)c1ccc(CC)cc1[O-] ZINC001465732273 937703494 /nfs/dbraw/zinc/70/34/94/937703494.db2.gz IFNSOYOYVVTWDO-HIFRSBDPSA-N -1 3 293.432 3.359 20 0 CGADHM CC(C)(Oc1ccccc1)C(=O)Nc1cccc([O-])c1F ZINC001319577721 933895172 /nfs/dbraw/zinc/89/51/72/933895172.db2.gz PGVOCHXBKNZSPJ-UHFFFAOYSA-N -1 3 289.306 3.327 20 0 CGADHM CSc1ccc([O-])c(C(=O)N[C@@H](C2CC2)C2CCC2)c1 ZINC001468734441 937730973 /nfs/dbraw/zinc/73/09/73/937730973.db2.gz ULKMRZOXCIZSOJ-OAHLLOKOSA-N -1 3 291.416 3.423 20 0 CGADHM Cc1ccccc1OCCC(=O)[N-]OC1CCCCC1 ZINC001320776389 934102256 /nfs/dbraw/zinc/10/22/56/934102256.db2.gz ZYSQMPJTEFJSHZ-UHFFFAOYSA-N -1 3 277.364 3.144 20 0 CGADHM CCc1ccc(C(=O)N[C@@H](C)CC2CCC2)c([O-])c1 ZINC001470728895 937756870 /nfs/dbraw/zinc/75/68/70/937756870.db2.gz HUOYOVNCKPTHLH-NSHDSACASA-N -1 3 261.365 3.263 20 0 CGADHM COc1ccc(C2CC2)cc1CNC(=O)c1ccccc1[O-] ZINC001471623981 937767852 /nfs/dbraw/zinc/76/78/52/937767852.db2.gz CZSBHRYEZWHYQL-UHFFFAOYSA-N -1 3 297.354 3.208 20 0 CGADHM O=C(NCCC1CCC(F)(F)CC1)c1ccccc1[O-] ZINC001472309672 937775004 /nfs/dbraw/zinc/77/50/04/937775004.db2.gz GTHLCNCZYLWNPE-UHFFFAOYSA-N -1 3 283.318 3.338 20 0 CGADHM CC(C)O[N-]C(=O)CCC(=O)c1ccc2ccccc2c1 ZINC001325390687 934908848 /nfs/dbraw/zinc/90/88/48/934908848.db2.gz VLQFJRFIDGQUBT-UHFFFAOYSA-N -1 3 285.343 3.259 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)CCc1nc2ccccc2s1 ZINC001326353469 934972958 /nfs/dbraw/zinc/97/29/58/934972958.db2.gz KTZOZHBNKHTWJV-NSHDSACASA-N -1 3 292.404 3.323 20 0 CGADHM CC(C)O[N-]C(=O)CCc1ccc(-c2ccccc2)o1 ZINC001328150595 935120186 /nfs/dbraw/zinc/12/01/86/935120186.db2.gz GQMLIEDXJDZZSI-UHFFFAOYSA-N -1 3 273.332 3.335 20 0 CGADHM CC(F)(F)C1(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC001328558035 935147041 /nfs/dbraw/zinc/14/70/41/935147041.db2.gz GQXQQYJWPYJLIO-UHFFFAOYSA-N -1 3 275.682 3.420 20 0 CGADHM Cc1nc(COc2ccc3c([O-])coc3c2C)c(C)s1 ZINC001330686496 935311996 /nfs/dbraw/zinc/31/19/96/935311996.db2.gz CMIXZKYIRXNYCH-UHFFFAOYSA-N -1 3 289.356 3.222 20 0 CGADHM C[C@H](CCCCC(=O)[O-])NCc1nc2cc(F)ccc2o1 ZINC001333175243 935516194 /nfs/dbraw/zinc/51/61/94/935516194.db2.gz DQFLWSJQCUYXMZ-SNVBAGLBSA-N -1 3 294.326 3.090 20 0 CGADHM CC(C)c1ocnc1CN1[C@H](C)C[C@H](C)[C@H](C(=O)[O-])[C@H]1C ZINC001334739520 936111285 /nfs/dbraw/zinc/11/12/85/936111285.db2.gz WZKVIFZORQBKHD-SFTQSGBHSA-N -1 3 294.395 3.118 20 0 CGADHM Cc1nc(CNCCCCC2(C(=O)[O-])CCC2)sc1C ZINC001335194108 936133308 /nfs/dbraw/zinc/13/33/08/936133308.db2.gz WVDXFGFJCLFNBP-UHFFFAOYSA-N -1 3 296.436 3.275 20 0 CGADHM CN(CC(=O)C(C)(C)C)C(=O)c1cc([O-])c2ccccc2c1 ZINC001336352139 936189248 /nfs/dbraw/zinc/18/92/48/936189248.db2.gz NPNSIMMDOIQVTJ-UHFFFAOYSA-N -1 3 299.370 3.233 20 0 CGADHM [O-]c1ccc(CN2C[C@@H](C3CC3)[C@@H]2C2CC2)c(F)c1F ZINC001474531213 937865403 /nfs/dbraw/zinc/86/54/03/937865403.db2.gz KIYJCKXSCTXUAH-LRDDRELGSA-N -1 3 279.330 3.291 20 0 CGADHM CCC[C@H](CC)[N-]S(=O)(=O)c1cc(C)c(F)cc1F ZINC001474907577 937880655 /nfs/dbraw/zinc/88/06/55/937880655.db2.gz SSZFRGJIPFTFMS-JTQLQIEISA-N -1 3 291.363 3.130 20 0 CGADHM C[C@@H](NC(=O)c1ccccc1[O-])C(C)(C)c1ccccc1 ZINC001546313955 937999278 /nfs/dbraw/zinc/99/92/78/937999278.db2.gz UFEVJUNFMWEHTH-CYBMUJFWSA-N -1 3 283.371 3.488 20 0 CGADHM C[C@H]1CC[C@H](OC(=O)c2cccc(Cl)c2[O-])C1 ZINC001537624807 938111900 /nfs/dbraw/zinc/11/19/00/938111900.db2.gz OEHLQMMHZJBYBT-IUCAKERBSA-N -1 3 254.713 3.391 20 0 CGADHM COc1ccc(NC(=O)c2ccc(C(C)=O)c([O-])c2)c(C)c1 ZINC001542820695 938137211 /nfs/dbraw/zinc/13/72/11/938137211.db2.gz QNDYEIPPSGBPIN-UHFFFAOYSA-N -1 3 299.326 3.164 20 0 CGADHM CC[C@H](CNC(=O)c1ccccc1[O-])Oc1cccc(C)c1 ZINC001543084304 938137779 /nfs/dbraw/zinc/13/77/79/938137779.db2.gz VZZDKUKMLGRPMO-CQSZACIVSA-N -1 3 299.370 3.288 20 0 CGADHM O=C(c1ccc(O)cc1[O-])N1CC(C2CCCCCC2)C1 ZINC001551651569 938183921 /nfs/dbraw/zinc/18/39/21/938183921.db2.gz QIEKLPJKYPKUTI-UHFFFAOYSA-N -1 3 289.375 3.140 20 0 CGADHM Cc1ccc(F)c(N)c1C(=O)Nc1ccc(Cl)cc1[O-] ZINC001556081891 938201597 /nfs/dbraw/zinc/20/15/97/938201597.db2.gz PUZFVQZSRQHUIU-UHFFFAOYSA-N -1 3 294.713 3.328 20 0 CGADHM O=C(Nc1[nH][n-]c2cc(=O)ccc1-2)c1sccc1C1CC1 ZINC001556723246 938205404 /nfs/dbraw/zinc/20/54/04/938205404.db2.gz YBNVARHWIXJMAU-UHFFFAOYSA-N -1 3 299.355 3.460 20 0 CGADHM CCc1ccc(C(=O)NCC2(CC3CC3)CC2)c([O-])c1 ZINC001558139174 938213660 /nfs/dbraw/zinc/21/36/60/938213660.db2.gz MTZLJZFLZGDNRD-UHFFFAOYSA-N -1 3 273.376 3.265 20 0 CGADHM CC1(C)C[C@]1(C)CNC(=O)CCCc1ccc([O-])c(F)c1 ZINC001558144711 938213768 /nfs/dbraw/zinc/21/37/68/938213768.db2.gz KDSMGZLYDNEZCK-QGZVFWFLSA-N -1 3 293.382 3.406 20 0 CGADHM CCCCOc1ccc(C(=O)NC/C=C/Cl)c([O-])c1 ZINC001559041944 938219370 /nfs/dbraw/zinc/21/93/70/938219370.db2.gz GOCHMUNYOUPDDU-QPJJXVBHSA-N -1 3 283.755 3.053 20 0 CGADHM O=C([O-])c1ccc(CNCc2ccc3occc3c2)s1 ZINC001595231020 949346929 /nfs/dbraw/zinc/34/69/29/949346929.db2.gz SZRGMWMNRZGHIH-UHFFFAOYSA-N -1 3 287.340 3.482 20 0 CGADHM CCOC[C@H](NCc1cccc(C(=O)[O-])c1Cl)C(C)C ZINC000381746390 971774160 /nfs/dbraw/zinc/77/41/60/971774160.db2.gz VGELCWVAWYKWHU-ZDUSSCGKSA-N -1 3 299.798 3.189 20 0 CGADHM Cc1sccc1CN(C)Cc1ccc(C(=O)[O-])cc1 ZINC000388429984 972170832 /nfs/dbraw/zinc/17/08/32/972170832.db2.gz TVLJJIYLYTYHLN-UHFFFAOYSA-N -1 3 275.373 3.387 20 0 CGADHM Cc1cc(CN[C@H](C(=O)[O-])c2ccc(F)cc2)c(C)s1 ZINC001594304856 957961286 /nfs/dbraw/zinc/96/12/86/957961286.db2.gz WSNFBWLHFPMYPA-AWEZNQCLSA-N -1 3 293.363 3.420 20 0 CGADHM Cc1cc(F)c(C(=O)NCc2ccc([O-])c(F)c2)c(F)c1 ZINC001566357520 960926164 /nfs/dbraw/zinc/92/61/64/960926164.db2.gz GRAAJJRHSCOTNB-UHFFFAOYSA-N -1 3 295.260 3.048 20 0 CGADHM CCC[C@H](CC)C(=O)Nc1ccc(C(=O)OCC)cc1[O-] ZINC001567084548 961119195 /nfs/dbraw/zinc/11/91/95/961119195.db2.gz PEVPGZLLKCHTKQ-NSHDSACASA-N -1 3 293.363 3.334 20 0 CGADHM O=C(Nc1cccc2cc[nH]c21)c1[n-]cnc1C(F)(F)F ZINC001567885083 961452185 /nfs/dbraw/zinc/45/21/85/961452185.db2.gz DSOZCIFHCVMKAF-UHFFFAOYSA-N -1 3 294.236 3.162 20 0 CGADHM O=C(Nc1cccc2cc[nH]c21)c1nc[n-]c1C(F)(F)F ZINC001567885083 961452194 /nfs/dbraw/zinc/45/21/94/961452194.db2.gz DSOZCIFHCVMKAF-UHFFFAOYSA-N -1 3 294.236 3.162 20 0 CGADHM CSc1ccc([O-])c(C(=O)N[C@H]2C[C@]2(C)C(C)C)c1 ZINC001570158848 961913642 /nfs/dbraw/zinc/91/36/42/961913642.db2.gz LKWQGXMIQIMRQF-DZGCQCFKSA-N -1 3 279.405 3.279 20 0 CGADHM O=C(Nc1cc(F)cc(F)c1O)c1cc(Cl)ccc1[O-] ZINC001570464601 961967544 /nfs/dbraw/zinc/96/75/44/961967544.db2.gz JJFULKCBKLFALM-UHFFFAOYSA-N -1 3 299.660 3.282 20 0 CGADHM CC(C)(C)CCOc1cc(Cl)ccc1-c1nnn[n-]1 ZINC001573846559 962288824 /nfs/dbraw/zinc/28/88/24/962288824.db2.gz SUKVVIJMPOLLMW-UHFFFAOYSA-N -1 3 280.759 3.335 20 0 CGADHM CC(C)(C)CCOc1cc(Cl)ccc1-c1nn[n-]n1 ZINC001573846559 962288841 /nfs/dbraw/zinc/28/88/41/962288841.db2.gz SUKVVIJMPOLLMW-UHFFFAOYSA-N -1 3 280.759 3.335 20 0 CGADHM O=C([O-])c1ccc(CN[C@@H]2CCCc3ccc(F)cc32)[nH]1 ZINC001574973158 962340134 /nfs/dbraw/zinc/34/01/34/962340134.db2.gz BNDVKAKXZLOAIR-CQSZACIVSA-N -1 3 288.322 3.019 20 0 CGADHM Cc1nc(NCCC2=CCCCCC2)ccc1-c1nnn[n-]1 ZINC001581520935 962752320 /nfs/dbraw/zinc/75/23/20/962752320.db2.gz PMLIPRTUKFERRO-UHFFFAOYSA-N -1 3 298.394 3.263 20 0 CGADHM Cc1nc(NCCC2=CCCCCC2)ccc1-c1nn[n-]n1 ZINC001581520935 962752332 /nfs/dbraw/zinc/75/23/32/962752332.db2.gz PMLIPRTUKFERRO-UHFFFAOYSA-N -1 3 298.394 3.263 20 0 CGADHM c1cc(-c2nnn[n-]2)cc(CSCC2CCCCC2)n1 ZINC001582816579 962761355 /nfs/dbraw/zinc/76/13/55/962761355.db2.gz LBPWASNFBWUMTN-UHFFFAOYSA-N -1 3 289.408 3.075 20 0 CGADHM c1cc(-c2nn[n-]n2)cc(CSCC2CCCCC2)n1 ZINC001582816579 962761364 /nfs/dbraw/zinc/76/13/64/962761364.db2.gz LBPWASNFBWUMTN-UHFFFAOYSA-N -1 3 289.408 3.075 20 0 CGADHM Cc1nocc1[N-]C(=O)c1ccsc1C(F)(F)F ZINC001585126470 962983263 /nfs/dbraw/zinc/98/32/63/962983263.db2.gz FJPIWEZYOSIJTF-UHFFFAOYSA-N -1 3 276.239 3.316 20 0 CGADHM O=C([N-]c1ccnc(F)c1F)c1cc(F)c(F)cc1F ZINC001587733983 963219834 /nfs/dbraw/zinc/21/98/34/963219834.db2.gz IKRMUSOTHBZPON-UHFFFAOYSA-N -1 3 288.175 3.029 20 0 CGADHM C/C(=C\c1ccccc1C(F)(F)F)CN1CC(C(=O)[O-])C1 ZINC001588488791 963277573 /nfs/dbraw/zinc/27/75/73/963277573.db2.gz RPTHMZXPPZAJNA-UXBLZVDNSA-N -1 3 299.292 3.125 20 0 CGADHM C[C@@H](NCCCC(C)(C)C)c1ncc(C(=O)[O-])s1 ZINC000314641915 963782682 /nfs/dbraw/zinc/78/26/82/963782682.db2.gz AFNYJMDYAFZHIF-SECBINFHSA-N -1 3 270.398 3.318 20 0 CGADHM CC(C)=CCCOc1cc(Cl)ccc1-c1nnn[n-]1 ZINC001589375260 963984499 /nfs/dbraw/zinc/98/44/99/963984499.db2.gz AEERFPCCRBTSBK-UHFFFAOYSA-N -1 3 278.743 3.255 20 0 CGADHM CC(C)=CCCOc1cc(Cl)ccc1-c1nn[n-]n1 ZINC001589375260 963984501 /nfs/dbraw/zinc/98/45/01/963984501.db2.gz AEERFPCCRBTSBK-UHFFFAOYSA-N -1 3 278.743 3.255 20 0 CGADHM CCc1cccc2cc(CN3CCC[C@@]3(C)C(=O)[O-])oc21 ZINC001603975180 974465324 /nfs/dbraw/zinc/46/53/24/974465324.db2.gz MOYVRIGLSXTJRN-KRWDZBQOSA-N -1 3 287.359 3.434 20 0 CGADHM CC(C)c1ccccc1CN[C@H](C(=O)[O-])c1cccc(O)c1 ZINC001591994247 976629743 /nfs/dbraw/zinc/62/97/43/976629743.db2.gz FZCLBJYQYRPIQH-KRWDZBQOSA-N -1 3 299.370 3.431 20 0 CGADHM CC[C@@H](NCc1cc(C(=O)[O-])c(C)n1C)c1ccsc1 ZINC001595298570 980419036 /nfs/dbraw/zinc/41/90/36/980419036.db2.gz PQVMYDSPGPMFMB-CQSZACIVSA-N -1 3 292.404 3.334 20 0 CGADHM CCC[C@H](CNCc1cc(C(=O)[O-])ccc1Cl)OCC ZINC001595592529 981551060 /nfs/dbraw/zinc/55/10/60/981551060.db2.gz BANZXBUHSPLHLZ-CYBMUJFWSA-N -1 3 299.798 3.333 20 0 CGADHM CCCc1nc(CN[C@H](CC(=O)[O-])C(C)(C)C)cs1 ZINC001596090331 983415590 /nfs/dbraw/zinc/41/55/90/983415590.db2.gz ZKJMQUIXCHJJOE-LLVKDONJSA-N -1 3 284.425 3.075 20 0 CGADHM Cc1[nH]c(CN2CC3(CC=CC3)[C@H]2C(C)C)cc1C(=O)[O-] ZINC001599962812 985823744 /nfs/dbraw/zinc/82/37/44/985823744.db2.gz UTAIVNIAXYDIMN-OAHLLOKOSA-N -1 3 288.391 3.198 20 0 CGADHM CC(C)[C@H]1CCC[C@H](NCc2ncc(C(=O)[O-])s2)C1 ZINC001591088192 991619254 /nfs/dbraw/zinc/61/92/54/991619254.db2.gz DQSJXWODIURRSI-QWRGUYRKSA-N -1 3 282.409 3.146 20 0 CGADHM CC(C)C[C@]1(C)CCCN1Cc1nc(C(=O)[O-])cs1 ZINC001591197245 992016725 /nfs/dbraw/zinc/01/67/25/992016725.db2.gz WXSKYJVWMVVEHQ-AWEZNQCLSA-N -1 3 282.409 3.242 20 0 CGADHM CN(Cc1cc(C(=O)[O-])n(C)c1)Cc1cc2ccccc2o1 ZINC001598507640 992526996 /nfs/dbraw/zinc/52/69/96/992526996.db2.gz XNNKWXOZUSQOTJ-UHFFFAOYSA-N -1 3 298.342 3.102 20 0 CGADHM C[C@@H](N[C@@H](C)c1cccnc1)c1cc(C(=O)[O-])cs1 ZINC001593199720 994181158 /nfs/dbraw/zinc/18/11/58/994181158.db2.gz ZDFRNQDIAKLZRW-VHSXEESVSA-N -1 3 276.361 3.253 20 0 CGADHM C[C@H](N[C@@H](C)c1cncc(C(=O)[O-])c1)c1ccccc1 ZINC001593353177 994974520 /nfs/dbraw/zinc/97/45/20/994974520.db2.gz PEQMHUXHOLKDIN-RYUDHWBXSA-N -1 3 270.332 3.192 20 0 CGADHM CC1(C)CCC[C@@H]1CCNCc1ncc(C(=O)[O-])s1 ZINC001593902988 996769630 /nfs/dbraw/zinc/76/96/30/996769630.db2.gz DWVAPPFVFDHILW-SNVBAGLBSA-N -1 3 282.409 3.147 20 0 CGADHM CC1(C)CN(Cc2ccc(C(=O)[O-])c(F)c2)[C@@H]1C1CC1 ZINC001593942370 996966421 /nfs/dbraw/zinc/96/64/21/996966421.db2.gz HEIXMESEQBMRSU-CQSZACIVSA-N -1 3 277.339 3.144 20 0 CGADHM C[C@@H]1CCN(Cc2cc(C(=O)[O-])n(C)c2)[C@H]2CCCC[C@H]12 ZINC001594423028 999577553 /nfs/dbraw/zinc/57/75/53/999577553.db2.gz LUOYEVJBQJSQJI-YUELXQCFSA-N -1 3 290.407 3.124 20 0 CGADHM Cc1ccc(C(=O)N2CC3CC2(c2ccccc2)C3)c([O-])c1 ZINC000621011128 349442836 /nfs/dbraw/zinc/44/28/36/349442836.db2.gz FVBGWSZKFHZHHI-UHFFFAOYSA-N -1 3 293.366 3.462 20 0 CGADHM CSc1ccc([O-])c(C(=O)N(C)C[C@H]2CC2(C)C)c1 ZINC000621046204 349451111 /nfs/dbraw/zinc/45/11/11/349451111.db2.gz ZTINKKSVTDWLIU-SNVBAGLBSA-N -1 3 279.405 3.232 20 0 CGADHM Cc1ccc(C(=O)N(C)C[C@H]2CC2(C)C)c([O-])c1C ZINC000621050808 349453067 /nfs/dbraw/zinc/45/30/67/349453067.db2.gz WZUZEFASZKUELH-GFCCVEGCSA-N -1 3 261.365 3.127 20 0 CGADHM Cc1ccc(C(=O)N2CCOc3ccccc3[C@H]2C)c([O-])c1 ZINC000621146336 349463611 /nfs/dbraw/zinc/46/36/11/349463611.db2.gz VWHZJKFTZGDYLL-CYBMUJFWSA-N -1 3 297.354 3.296 20 0 CGADHM Cc1ccc([O-])c(-c2nc(CCCOC(C)C)no2)c1 ZINC000273825249 192322533 /nfs/dbraw/zinc/32/25/33/192322533.db2.gz IJOCZPVBUONLAP-UHFFFAOYSA-N -1 3 276.336 3.108 20 0 CGADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@@H]1C[C@@H]1C ZINC000650946276 398184157 /nfs/dbraw/zinc/18/41/57/398184157.db2.gz LLYLJOIGOKZNNZ-POYBYMJQSA-N -1 3 284.153 3.058 20 0 CGADHM Cc1ccc([O-])c(CNC(C)(C)c2cccc(F)c2)n1 ZINC000124678718 187148624 /nfs/dbraw/zinc/14/86/24/187148624.db2.gz ODPBZILCOOQXSM-UHFFFAOYSA-N -1 3 274.339 3.260 20 0 CGADHM Cc1ccc([O-])c(CNc2ccc(NC(=O)C3CC3)cc2)n1 ZINC000269264402 190481948 /nfs/dbraw/zinc/48/19/48/190481948.db2.gz BFNPQZGXCZXTSD-UHFFFAOYSA-N -1 3 297.358 3.056 20 0 CGADHM CC(=O)CCCC(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000337655514 214200422 /nfs/dbraw/zinc/20/04/22/214200422.db2.gz NARQFNPJEJFYJL-UHFFFAOYSA-N -1 3 277.364 3.388 20 0 CGADHM CC1=C[C@H](C)CN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000621989471 349618622 /nfs/dbraw/zinc/61/86/22/349618622.db2.gz JMPQTEOHOVSDBV-VIFPVBQESA-N -1 3 299.292 3.449 20 0 CGADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1CC[C@@H]1C1CC1 ZINC000622076280 349627249 /nfs/dbraw/zinc/62/72/49/349627249.db2.gz YYVKDQXHQZPGGD-GFCCVEGCSA-N -1 3 285.265 3.036 20 0 CGADHM CC[C@@H]1COCCN1Cc1cc([O-])cc(C(F)(F)F)c1 ZINC000356091631 529412234 /nfs/dbraw/zinc/41/22/34/529412234.db2.gz SVQTWCIRYURIFC-GFCCVEGCSA-N -1 3 289.297 3.022 20 0 CGADHM CC[C@@H](C)c1ncc(NC(=O)c2ccc([O-])c(C)c2)cn1 ZINC000436918570 529434844 /nfs/dbraw/zinc/43/48/44/529434844.db2.gz HLIWGGZPWJPGDX-SNVBAGLBSA-N -1 3 285.347 3.256 20 0 CGADHM CC[C@H](Cc1ccccc1)NC(=O)c1cccc(C)c1[O-] ZINC000436530648 529430802 /nfs/dbraw/zinc/43/08/02/529430802.db2.gz NEWSBXQWIMRNGV-OAHLLOKOSA-N -1 3 283.371 3.452 20 0 CGADHM CC[C@@H](C)n1ncc(C(=O)Nc2ccc([O-])cc2F)c1C ZINC000359868397 529441497 /nfs/dbraw/zinc/44/14/97/529441497.db2.gz CDOPOLKLFPXPAD-SECBINFHSA-N -1 3 291.326 3.260 20 0 CGADHM Cc1ccc([O-])c(CNC2(c3ccc(F)cc3)CCC2)n1 ZINC000590881782 346882821 /nfs/dbraw/zinc/88/28/21/346882821.db2.gz LNJAHMRRQSNHFD-UHFFFAOYSA-N -1 3 286.350 3.404 20 0 CGADHM CC[C@@H](NC(=O)Cc1ccc([O-])c(F)c1)c1ccccc1 ZINC000622298156 349669470 /nfs/dbraw/zinc/66/94/70/349669470.db2.gz XJYPYMYXZNSSKA-OAHLLOKOSA-N -1 3 287.334 3.341 20 0 CGADHM COc1cc(C)cc(CNC(=O)c2ccc(C)c(C)c2[O-])c1 ZINC000622458057 349681035 /nfs/dbraw/zinc/68/10/35/349681035.db2.gz ZCQAARKLAMODAC-UHFFFAOYSA-N -1 3 299.370 3.256 20 0 CGADHM CCCc1cnc(NC(=O)c2ccc(C)cc2[O-])s1 ZINC000622487697 349682980 /nfs/dbraw/zinc/68/29/80/349682980.db2.gz OWEHCUDPRDGVIB-UHFFFAOYSA-N -1 3 276.361 3.362 20 0 CGADHM Cc1ccsc1CCNC(=O)c1ccc(C)c(C)c1[O-] ZINC000622482621 349683214 /nfs/dbraw/zinc/68/32/14/349683214.db2.gz DUVHELDOCZDAKI-UHFFFAOYSA-N -1 3 289.400 3.351 20 0 CGADHM CCc1cc(C(=O)N2CCc3cccc(F)c3C2)ccc1[O-] ZINC000362999915 529514877 /nfs/dbraw/zinc/51/48/77/529514877.db2.gz BLIJMDMGLBCAGS-UHFFFAOYSA-N -1 3 299.345 3.292 20 0 CGADHM Cc1ccc(C(=O)N2Cc3cccc(F)c3C2)c([O-])c1C ZINC000622693303 349694877 /nfs/dbraw/zinc/69/48/77/349694877.db2.gz DPVVGFPJEQSOSU-UHFFFAOYSA-N -1 3 285.318 3.304 20 0 CGADHM Cc1ccc([O-])c(C(=O)N[C@@H](C)C2CCC(F)CC2)c1 ZINC000622753249 349700075 /nfs/dbraw/zinc/70/00/75/349700075.db2.gz UUAKGNMHXMKKNV-HIFPTAJRSA-N -1 3 279.355 3.347 20 0 CGADHM CCc1ccc(-c2nc(C3(N)CCCCC3)no2)c([O-])c1 ZINC000424347729 529575336 /nfs/dbraw/zinc/57/53/36/529575336.db2.gz SATKIANGDUTGND-UHFFFAOYSA-N -1 3 287.363 3.123 20 0 CGADHM CCc1ccc(C(=O)N(C)Cc2cccc(OC)c2)c([O-])c1 ZINC000436801784 529592087 /nfs/dbraw/zinc/59/20/87/529592087.db2.gz FNSGXJACTHAHJB-UHFFFAOYSA-N -1 3 299.370 3.235 20 0 CGADHM CCc1ccc(C(=O)N[C@@H](CC)CC(F)(F)F)c([O-])c1 ZINC000436836931 529606746 /nfs/dbraw/zinc/60/67/46/529606746.db2.gz DWUNHKBAERPUBH-JTQLQIEISA-N -1 3 289.297 3.415 20 0 CGADHM CCc1ccc(C(=O)N2CCCC[C@H]2C(F)F)c([O-])c1 ZINC000436519446 529595572 /nfs/dbraw/zinc/59/55/72/529595572.db2.gz PXNAZTDGCWYGOL-LBPRGKRZSA-N -1 3 283.318 3.214 20 0 CGADHM CC[C@@H](NC(=O)Cc1ccc([O-])c(F)c1)c1cccs1 ZINC000448759429 529601845 /nfs/dbraw/zinc/60/18/45/529601845.db2.gz NUKBANDDOLFKKW-GFCCVEGCSA-N -1 3 293.363 3.403 20 0 CGADHM CC[C@H](C)CN(C)C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436581191 529650499 /nfs/dbraw/zinc/65/04/99/529650499.db2.gz YYHIWMMBZNBSPB-LBPRGKRZSA-N -1 3 275.392 3.389 20 0 CGADHM CCc1ccc([O-])c(C(=O)N(C)[C@@H](CC)CSC)c1 ZINC000436816662 529690472 /nfs/dbraw/zinc/69/04/72/529690472.db2.gz TZYKUZLUMPOREI-LBPRGKRZSA-N -1 3 281.421 3.168 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2[C@H](C)CC[C@@H]2CC)c1 ZINC000436762844 529691627 /nfs/dbraw/zinc/69/16/27/529691627.db2.gz DGFZDSFNZBKCBU-YPMHNXCESA-N -1 3 261.365 3.358 20 0 CGADHM CN(C)c1ccc(-c2nc(-c3ccc([O-])cc3)no2)c(F)c1 ZINC000436530409 529774577 /nfs/dbraw/zinc/77/45/77/529774577.db2.gz DTIMTIRWVSAKLZ-UHFFFAOYSA-N -1 3 299.305 3.314 20 0 CGADHM CCc1c(C(=O)Nc2ccccc2[O-])cnn1C(C)(C)C ZINC000270295615 190641670 /nfs/dbraw/zinc/64/16/70/190641670.db2.gz QGBAPIUSPXKOHL-UHFFFAOYSA-N -1 3 287.363 3.158 20 0 CGADHM CN(Cc1cc2ccccc2o1)C(=O)c1ccc(O)cc1[O-] ZINC000173926993 529980962 /nfs/dbraw/zinc/98/09/62/529980962.db2.gz UKELVUVZYLLJRT-UHFFFAOYSA-N -1 3 297.310 3.116 20 0 CGADHM CCc1cccc(NC(=O)c2cc(-c3ccco3)[n-]n2)c1 ZINC000028276674 344913774 /nfs/dbraw/zinc/91/37/74/344913774.db2.gz DEMDAWZJUKJQSL-UHFFFAOYSA-N -1 3 281.315 3.484 20 0 CGADHM CCc1cccc(NC(=O)c2cc(-c3ccco3)n[n-]2)c1 ZINC000028276674 344913777 /nfs/dbraw/zinc/91/37/77/344913777.db2.gz DEMDAWZJUKJQSL-UHFFFAOYSA-N -1 3 281.315 3.484 20 0 CGADHM O=C(CCc1ccccc1Cl)Nc1ncccc1[O-] ZINC000029704975 344919667 /nfs/dbraw/zinc/91/96/67/344919667.db2.gz JYVDPAONGGRPIP-UHFFFAOYSA-N -1 3 276.723 3.012 20 0 CGADHM C[C@H]1CN(Cc2c(F)ccc([O-])c2F)CC[C@@H]1C ZINC000351618899 219148681 /nfs/dbraw/zinc/14/86/81/219148681.db2.gz CCLUESWEVSACQL-UWVGGRQHSA-N -1 3 255.308 3.148 20 0 CGADHM COc1ccc(Cl)c(NC(=O)c2cccc([O-])c2)c1 ZINC000043318772 344996371 /nfs/dbraw/zinc/99/63/71/344996371.db2.gz BPYHEAWONNGFGK-UHFFFAOYSA-N -1 3 277.707 3.307 20 0 CGADHM O=C(Cc1ccc(OC(F)F)cc1)Nc1ccccc1[O-] ZINC000052817836 345107590 /nfs/dbraw/zinc/10/75/90/345107590.db2.gz WLSBMJJYKOYMCK-UHFFFAOYSA-N -1 3 293.269 3.175 20 0 CGADHM CC(C)c1cc(C(=O)Nc2cc(Cl)ccc2[O-])n[nH]1 ZINC000067139153 345315780 /nfs/dbraw/zinc/31/57/80/345315780.db2.gz PWQIXTVRGRURJO-UHFFFAOYSA-N -1 3 279.727 3.144 20 0 CGADHM CC(C)(C)c1nsc([N-]C(=O)c2cc(F)ccc2F)n1 ZINC000068073649 345342608 /nfs/dbraw/zinc/34/26/08/345342608.db2.gz IOCSWDGXUZAAPY-UHFFFAOYSA-N -1 3 297.330 3.366 20 0 CGADHM CC(C)(C)c1nsc([N-]C(=O)c2cc(F)cc(F)c2)n1 ZINC000068074443 345342696 /nfs/dbraw/zinc/34/26/96/345342696.db2.gz RAGVRYLFAQEWAU-UHFFFAOYSA-N -1 3 297.330 3.366 20 0 CGADHM C[C@@H](CN(Cc1ccccc1Cl)C1CC1)C(=O)[O-] ZINC000071736486 345404913 /nfs/dbraw/zinc/40/49/13/345404913.db2.gz MOSJTZWJNJXHIT-JTQLQIEISA-N -1 3 267.756 3.025 20 0 CGADHM O=C(Nc1ccccc1[O-])c1cccc2cnccc21 ZINC000072700394 345416922 /nfs/dbraw/zinc/41/69/22/345416922.db2.gz FGDMSWIWOOPUFE-UHFFFAOYSA-N -1 3 264.284 3.193 20 0 CGADHM O=C(NCc1ccc([O-])c(F)c1)c1cccc2cnccc21 ZINC000073147112 345432582 /nfs/dbraw/zinc/43/25/82/345432582.db2.gz VMTNRGFMTXEHPI-UHFFFAOYSA-N -1 3 296.301 3.010 20 0 CGADHM C[C@H]1c2ccsc2CCN1CCCCCC(=O)[O-] ZINC000071286569 345402814 /nfs/dbraw/zinc/40/28/14/345402814.db2.gz MQRQNNQBHHYGAB-NSHDSACASA-N -1 3 267.394 3.312 20 0 CGADHM CCC(C)(C)N(C)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000074320255 345465835 /nfs/dbraw/zinc/46/58/35/345465835.db2.gz XGKIDFQUMLPTMD-UHFFFAOYSA-N -1 3 299.374 3.290 20 0 CGADHM C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1[O-] ZINC000074350412 345466902 /nfs/dbraw/zinc/46/69/02/345466902.db2.gz BJVABNIRPRMDAA-JTQLQIEISA-N -1 3 291.734 3.452 20 0 CGADHM O=C(c1ccc2n[n-]nc2c1)N(CC1CCCCC1)C1CC1 ZINC000080445240 345675068 /nfs/dbraw/zinc/67/50/68/345675068.db2.gz JVTNMZXOTIDHFQ-UHFFFAOYSA-N -1 3 298.390 3.143 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2cc(F)c(F)c(F)c2)n1 ZINC000339118080 214963713 /nfs/dbraw/zinc/96/37/13/214963713.db2.gz VPANAVXCMKJSNW-NSCUHMNNSA-N -1 3 266.222 3.078 20 0 CGADHM O=C(Nc1ccc([O-])cc1Cl)[C@@H]1CC=CCC1 ZINC000085204955 345744770 /nfs/dbraw/zinc/74/47/70/345744770.db2.gz NKNLDHAPAGSDJC-SECBINFHSA-N -1 3 251.713 3.340 20 0 CGADHM C[C@@H](c1ccc(F)cc1F)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC000086783205 345751108 /nfs/dbraw/zinc/75/11/08/345751108.db2.gz CALXDVVRQOTWDV-ZUZCIYMTSA-N -1 3 283.318 3.213 20 0 CGADHM O=C(c1c([O-])cccc1O)N1CCC[C@@]2(CC=CCC2)C1 ZINC000092121990 345831843 /nfs/dbraw/zinc/83/18/43/345831843.db2.gz WCYLPCMNWRMWNF-KRWDZBQOSA-N -1 3 287.359 3.060 20 0 CGADHM COc1ccc([O-])c(C(=O)Nc2ccc3[nH]ccc3c2)c1 ZINC000113415876 345960953 /nfs/dbraw/zinc/96/09/53/345960953.db2.gz VFHNMUDJTUWPAW-UHFFFAOYSA-N -1 3 282.299 3.134 20 0 CGADHM C[C@H](c1ccccc1)N1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC000109920863 345944104 /nfs/dbraw/zinc/94/41/04/345944104.db2.gz VNCJKABMRIDKEL-ZWNOBZJWSA-N -1 3 287.281 3.087 20 0 CGADHM Cc1ccc([O-])c(C(=O)NC[C@@H](c2cccnc2)C(C)C)c1 ZINC000175259685 232315610 /nfs/dbraw/zinc/31/56/10/232315610.db2.gz CLDKNOILSYIYQU-MRXNPFEDSA-N -1 3 298.386 3.265 20 0 CGADHM O=[S@](CCc1ccccc1Cl)c1ccc([O-])cc1 ZINC000177101561 232355445 /nfs/dbraw/zinc/35/54/45/232355445.db2.gz ZVKSQHIRVRXYEE-GOSISDBHSA-N -1 3 280.776 3.396 20 0 CGADHM Cc1noc(C)c1CNC(=O)c1ccc(C(C)C)cc1[O-] ZINC000143745783 346115569 /nfs/dbraw/zinc/11/55/69/346115569.db2.gz IIZCENNQGIIVKM-UHFFFAOYSA-N -1 3 288.347 3.050 20 0 CGADHM Cc1ccc(NC(=O)c2ccc(N(C)C)c(F)c2)c([O-])c1 ZINC000144387617 346117872 /nfs/dbraw/zinc/11/78/72/346117872.db2.gz CPDRKSFJADEEHN-UHFFFAOYSA-N -1 3 288.322 3.158 20 0 CGADHM Cc1nc(C(C)(C)C)sc1C(=O)Nc1ncccc1[O-] ZINC000149611959 346131142 /nfs/dbraw/zinc/13/11/42/346131142.db2.gz ZKIDCNGLXCOOQE-UHFFFAOYSA-N -1 3 291.376 3.102 20 0 CGADHM CC(C)CN(CC(=O)[O-])Cc1ccc(Cl)cc1F ZINC000162549515 346178960 /nfs/dbraw/zinc/17/89/60/346178960.db2.gz NRRVQHAUKMXGIK-UHFFFAOYSA-N -1 3 273.735 3.022 20 0 CGADHM O=C(NCCC1CCCCC1)NCc1ccc([O-])c(F)c1 ZINC000156567877 346159303 /nfs/dbraw/zinc/15/93/03/346159303.db2.gz HZCOVAMZIMUMAI-UHFFFAOYSA-N -1 3 294.370 3.301 20 0 CGADHM CC1CCC(CNC(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC000157581947 346161951 /nfs/dbraw/zinc/16/19/51/346161951.db2.gz CKEWMYQNFGXSRQ-UHFFFAOYSA-N -1 3 294.370 3.157 20 0 CGADHM CS[C@H](C(=O)Nc1ccccc1[O-])c1ccccc1 ZINC000172401073 346221447 /nfs/dbraw/zinc/22/14/47/346221447.db2.gz YKKNMHDTPSUOIT-AWEZNQCLSA-N -1 3 273.357 3.435 20 0 CGADHM Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1Cl ZINC000174052263 346237856 /nfs/dbraw/zinc/23/78/56/346237856.db2.gz UHXNODWSGGGSLL-UHFFFAOYSA-N -1 3 281.764 3.449 20 0 CGADHM Cc1cc(C)cc(C(=O)Nc2cc(F)ccc2[O-])c1 ZINC000174897743 346245812 /nfs/dbraw/zinc/24/58/12/346245812.db2.gz XXKLETCOSVOBIS-UHFFFAOYSA-N -1 3 259.280 3.400 20 0 CGADHM CC1(C)CCCN(Cc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000232867008 346327990 /nfs/dbraw/zinc/32/79/90/346327990.db2.gz YJUXVSPCWQXVRK-UHFFFAOYSA-N -1 3 265.328 3.146 20 0 CGADHM CC[C@H](NC(=O)c1ccc(O)cc1[O-])C1CCCCC1 ZINC000227416830 346308805 /nfs/dbraw/zinc/30/88/05/346308805.db2.gz CCXFBXKVEPOFDJ-AWEZNQCLSA-N -1 3 277.364 3.187 20 0 CGADHM O=C(Cc1cccc(Cl)c1F)Nc1ccccc1[O-] ZINC000351730095 219188106 /nfs/dbraw/zinc/18/81/06/219188106.db2.gz KFBPPFXRSZVEGS-UHFFFAOYSA-N -1 3 279.698 3.366 20 0 CGADHM Cc1ccc(CN2CC[C@H](C(=O)[O-])[C@H](C)C2)cc1Cl ZINC000381869374 346558948 /nfs/dbraw/zinc/55/89/48/346558948.db2.gz WFMXIACFLUFXHU-YPMHNXCESA-N -1 3 281.783 3.191 20 0 CGADHM CC[C@@H]1CC[C@@H](C)N(C(=O)c2cccc(OC)c2[O-])C1 ZINC000383629185 346562794 /nfs/dbraw/zinc/56/27/94/346562794.db2.gz XWCLICOLLFKIIB-VXGBXAGGSA-N -1 3 277.364 3.052 20 0 CGADHM CCCC[C@H](C(=O)[O-])N1CCC[C@H]1c1ccco1 ZINC000584785358 346714423 /nfs/dbraw/zinc/71/44/23/346714423.db2.gz HYNCDVBIKCWCNP-NWDGAFQWSA-N -1 3 251.326 3.060 20 0 CGADHM CC(C)(C)c1coc([N-]C(=O)c2sccc2F)n1 ZINC000584789296 346714778 /nfs/dbraw/zinc/71/47/78/346714778.db2.gz WXZYDCVZELHGEX-UHFFFAOYSA-N -1 3 268.313 3.425 20 0 CGADHM CC[C@@H](C)CC(=O)Nc1cc(Cl)cc(C(=O)OC)c1[O-] ZINC000588100068 346749755 /nfs/dbraw/zinc/74/97/55/346749755.db2.gz MNXWEAUXPXIKFU-MRVPVSSYSA-N -1 3 299.754 3.207 20 0 CGADHM CCc1nc(C(C)C)ccc1C(=O)Nc1nc(C)ccc1[O-] ZINC000351776210 219203784 /nfs/dbraw/zinc/20/37/84/219203784.db2.gz ZDYZPVCGAYWTCA-UHFFFAOYSA-N -1 3 299.374 3.429 20 0 CGADHM O=c1cc(CSCC[C@H]2CCCCO2)nc(C2CC2)[n-]1 ZINC000596368427 347436284 /nfs/dbraw/zinc/43/62/84/347436284.db2.gz ZOVQTMBGQOMWPZ-CYBMUJFWSA-N -1 3 294.420 3.252 20 0 CGADHM CCC1(NCc2cccc([O-])c2Cl)CCOCC1 ZINC000339329054 215099810 /nfs/dbraw/zinc/09/98/10/215099810.db2.gz VOHPGJNSODRQML-UHFFFAOYSA-N -1 3 269.772 3.094 20 0 CGADHM CCS[C@H]1CCC[C@@H]1NC(=O)c1c(C)cccc1[O-] ZINC000599630712 347760301 /nfs/dbraw/zinc/76/03/01/347760301.db2.gz UWZSFTDXCKESQR-AAEUAGOBSA-N -1 3 279.405 3.105 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)SC[C@@H]2C[C@H]3C[C@H]3C2)n1 ZINC000600581695 347811458 /nfs/dbraw/zinc/81/14/58/347811458.db2.gz YMLJLMKXCBDSQL-WISYIIOYSA-N -1 3 264.394 3.331 20 0 CGADHM CC(C)SCCN1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC000600673384 347827450 /nfs/dbraw/zinc/82/74/50/347827450.db2.gz DVFPYCOQDFMBBE-UHFFFAOYSA-N -1 3 297.395 3.024 20 0 CGADHM C[S@](=O)c1cccc(NCc2c(F)ccc([O-])c2F)c1 ZINC000351878113 219234601 /nfs/dbraw/zinc/23/46/01/219234601.db2.gz RVQZABAWJWSFDI-FQEVSTJZSA-N -1 3 297.326 3.020 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])c1cc2[nH]ccc2s1 ZINC000356585597 232794661 /nfs/dbraw/zinc/79/46/61/232794661.db2.gz XRGWQIWZTPVDKL-UHFFFAOYSA-N -1 3 276.292 3.326 20 0 CGADHM C[C@@H]1CCCC[C@@H]1CC(=O)NCc1ccc([O-])c(F)c1 ZINC000606537419 348190101 /nfs/dbraw/zinc/19/01/01/348190101.db2.gz REBQZGKANXYPRI-DGCLKSJQSA-N -1 3 279.355 3.364 20 0 CGADHM Cc1ccnc(CNC(=O)c2cc([O-])c3ccccc3c2)c1 ZINC000357357583 232935294 /nfs/dbraw/zinc/93/52/94/232935294.db2.gz QULOBHOYVBKGMK-UHFFFAOYSA-N -1 3 292.338 3.179 20 0 CGADHM CC(C)Oc1ccccc1C[S@@](=O)c1cccc([O-])c1 ZINC000273371519 192129161 /nfs/dbraw/zinc/12/91/61/192129161.db2.gz FGDJWMXWGRPIGK-HXUWFJFHSA-N -1 3 290.384 3.487 20 0 CGADHM O=C(Cc1cc(C2CC2)no1)Nc1cc(Cl)ccc1[O-] ZINC000612754273 348544172 /nfs/dbraw/zinc/54/41/72/348544172.db2.gz GOJVRBUPFCUZBZ-UHFFFAOYSA-N -1 3 292.722 3.092 20 0 CGADHM CO[C@H]1CC[C@@H](C(=O)Nc2cc(Cl)cc(C)c2[O-])C1 ZINC000613035022 348560753 /nfs/dbraw/zinc/56/07/53/348560753.db2.gz IVDBPFOZOOCAIF-KOLCDFICSA-N -1 3 283.755 3.108 20 0 CGADHM CCc1nocc1C(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000613576480 348620159 /nfs/dbraw/zinc/62/01/59/348620159.db2.gz KNEUSHFIDCTBAO-SNVBAGLBSA-N -1 3 286.331 3.097 20 0 CGADHM C[C@@H]1COc2ccccc2CN1Cc1cc([O-])cc(F)c1 ZINC000351981020 219275711 /nfs/dbraw/zinc/27/57/11/219275711.db2.gz IWSHDFCKNTXQAA-GFCCVEGCSA-N -1 3 287.334 3.314 20 0 CGADHM C[C@H]1CCC[C@H]1CC(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000615138293 348717765 /nfs/dbraw/zinc/71/77/65/348717765.db2.gz XQHLDMIUOSHTEA-UWVGGRQHSA-N -1 3 273.336 3.033 20 0 CGADHM O=C(Nc1ncccc1[O-])c1cc2sccc2s1 ZINC000616522321 348829287 /nfs/dbraw/zinc/82/92/87/348829287.db2.gz VWXTWFLSBFDFMK-UHFFFAOYSA-N -1 3 276.342 3.316 20 0 CGADHM CSc1cc(C)ccc1[N-]C(=O)c1nnc(C)s1 ZINC000616262678 348805189 /nfs/dbraw/zinc/80/51/89/348805189.db2.gz CWDUHSCULIUGNO-UHFFFAOYSA-N -1 3 279.390 3.129 20 0 CGADHM [O-]c1cc(F)cc(CN2CCc3c(F)cccc3C2)c1 ZINC000351994612 219282095 /nfs/dbraw/zinc/28/20/95/219282095.db2.gz HFGOOXDNCGUJKI-UHFFFAOYSA-N -1 3 275.298 3.229 20 0 CGADHM CC[C@@H](C)[C@@H](OC)C(=O)Nc1ccc([O-])cc1Cl ZINC000616939448 348884716 /nfs/dbraw/zinc/88/47/16/348884716.db2.gz CYEWPYDBYBJLOM-PRHODGIISA-N -1 3 271.744 3.045 20 0 CGADHM COCCC[C@H](C)C(=O)Nc1ccc([O-])cc1Cl ZINC000616940908 348885143 /nfs/dbraw/zinc/88/51/43/348885143.db2.gz JVKQMBWTSDBXDG-VIFPVBQESA-N -1 3 271.744 3.047 20 0 CGADHM CC(=O)CCC(C)(C)C(=O)Nc1ccc([O-])cc1Cl ZINC000616940871 348885222 /nfs/dbraw/zinc/88/52/22/348885222.db2.gz IIAIVGFWZKXRQH-UHFFFAOYSA-N -1 3 283.755 3.380 20 0 CGADHM C[C@H](C(=O)Nc1ccc([O-])cc1Cl)N1[C@H](C)CC[C@@H]1C ZINC000616941790 348885983 /nfs/dbraw/zinc/88/59/83/348885983.db2.gz FSWUUXSEVZCOTL-OUAUKWLOSA-N -1 3 296.798 3.245 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CC[C@@H]3CCCC[C@H]3C2)o1 ZINC000358461320 233135941 /nfs/dbraw/zinc/13/59/41/233135941.db2.gz DKCPQAYYJGLZII-MELADBBJSA-N -1 3 297.420 3.225 20 0 CGADHM COc1ccc(C=Cc2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC000352007330 219287204 /nfs/dbraw/zinc/28/72/04/219287204.db2.gz KJUHHXGYPJAOKM-FARCUNLSSA-N -1 3 268.316 3.239 20 0 CGADHM CCS(=O)(=O)[N-]c1ccc2oc(CC(C)(C)C)nc2c1 ZINC000358742359 233186573 /nfs/dbraw/zinc/18/65/73/233186573.db2.gz BJWTWHIVCRIHKR-UHFFFAOYSA-N -1 3 296.392 3.178 20 0 CGADHM C[C@]1(CNC(=O)c2cc3c(cc2[O-])CCCC3)CC1(F)F ZINC000618600029 349118378 /nfs/dbraw/zinc/11/83/78/349118378.db2.gz DYLWUIAZLADMSX-OAHLLOKOSA-N -1 3 295.329 3.046 20 0 CGADHM CCC1(CC)CCCN(C(=O)c2ccccc2[O-])C1 ZINC000618671836 349139590 /nfs/dbraw/zinc/13/95/90/349139590.db2.gz ULLLRIVTBWCEPO-UHFFFAOYSA-N -1 3 261.365 3.435 20 0 CGADHM Cc1ccc(CC2CN(C(=O)c3cccc(C)c3[O-])C2)cc1 ZINC000618892329 349176877 /nfs/dbraw/zinc/17/68/77/349176877.db2.gz WVKKASVOYOPZKI-UHFFFAOYSA-N -1 3 295.382 3.324 20 0 CGADHM [O-]c1ccc(F)c(CNCCc2cccc(F)c2)c1F ZINC000352051114 219303729 /nfs/dbraw/zinc/30/37/29/219303729.db2.gz YQWNUMKYBOTOOR-UHFFFAOYSA-N -1 3 281.277 3.142 20 0 CGADHM Cc1ccc(C(=O)N(C)[C@@H](C)c2ccccn2)c([O-])c1C ZINC000271223970 191012814 /nfs/dbraw/zinc/01/28/14/191012814.db2.gz GTMAKMSKJYXMQZ-ZDUSSCGKSA-N -1 3 284.359 3.237 20 0 CGADHM Cc1cccc([O-])c1C(=O)N(C1CC1)C1CCCC1 ZINC000625256327 350147891 /nfs/dbraw/zinc/14/78/91/350147891.db2.gz ZRADALMEMAPKPA-UHFFFAOYSA-N -1 3 259.349 3.248 20 0 CGADHM [O-]c1ccc(Cl)c(CN2CCC(c3ncc[nH]3)CC2)c1 ZINC000625215863 350141326 /nfs/dbraw/zinc/14/13/26/350141326.db2.gz KLFKJDCBDUZMSK-UHFFFAOYSA-N -1 3 291.782 3.148 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CCC[C@H]1C1CCC1 ZINC000625219252 350142418 /nfs/dbraw/zinc/14/24/18/350142418.db2.gz VKUCYYCJEPCTMM-ZDUSSCGKSA-N -1 3 259.349 3.105 20 0 CGADHM CC[C@]1(CO)CCCN(Cc2cc([O-])ccc2Cl)C1 ZINC000625341806 350161559 /nfs/dbraw/zinc/16/15/59/350161559.db2.gz IBFUAZNOKAAEPT-HNNXBMFYSA-N -1 3 283.799 3.030 20 0 CGADHM Cc1ccncc1CN(C)Cc1cc([O-])ccc1Cl ZINC000625384498 350166705 /nfs/dbraw/zinc/16/67/05/350166705.db2.gz YQNVMRYVDIAPFE-UHFFFAOYSA-N -1 3 276.767 3.381 20 0 CGADHM Cc1noc([C@H]2CCCN2Cc2cc([O-])ccc2Cl)n1 ZINC000625429209 350169303 /nfs/dbraw/zinc/16/93/03/350169303.db2.gz SABAMAAUWWDGJX-CYBMUJFWSA-N -1 3 293.754 3.074 20 0 CGADHM O=c1[n-]c(CN(C2CC2)C2CC2)nc2c3ccccc3oc21 ZINC000625838848 350218594 /nfs/dbraw/zinc/21/85/94/350218594.db2.gz JTDHCPRQFGMATC-UHFFFAOYSA-N -1 3 295.342 3.208 20 0 CGADHM C[C@@H]1CC[C@@H](C)N1C(=O)c1cc([O-])cc(Br)c1 ZINC000626077187 350256800 /nfs/dbraw/zinc/25/68/00/350256800.db2.gz FREIERYSPQFWMN-RKDXNWHRSA-N -1 3 298.180 3.168 20 0 CGADHM O=C(c1cc([O-])ccc1Cl)N1CC[C@@H](CC2CC2)C1 ZINC000359730742 233367834 /nfs/dbraw/zinc/36/78/34/233367834.db2.gz PJJNARKSQKVOOU-NSHDSACASA-N -1 3 279.767 3.308 20 0 CGADHM Cc1cccc([O-])c1C(=O)N(C)[C@H](C)Cc1ccc(O)cc1 ZINC000626178256 350278257 /nfs/dbraw/zinc/27/82/57/350278257.db2.gz MLINMFAPCZOWDH-CYBMUJFWSA-N -1 3 299.370 3.109 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1Cc2ccccc2OC[C@H]1C ZINC000626417623 350304246 /nfs/dbraw/zinc/30/42/46/350304246.db2.gz AOBCGZZSWRRVPW-CYBMUJFWSA-N -1 3 297.354 3.124 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1C[C@H](C)C[C@H]1c1cccnc1 ZINC000626445576 350307625 /nfs/dbraw/zinc/30/76/25/350307625.db2.gz FTPULHCKTRXSJM-DOMZBBRYSA-N -1 3 296.370 3.319 20 0 CGADHM CCc1nc(C)c([N-]C(=O)c2ocnc2C(F)F)s1 ZINC000626517986 350316351 /nfs/dbraw/zinc/31/63/51/350316351.db2.gz NMHGXUVYHBONOH-UHFFFAOYSA-N -1 3 287.291 3.192 20 0 CGADHM O=C([N-]c1scnc1C1CC1)c1ocnc1C(F)F ZINC000626303400 350293281 /nfs/dbraw/zinc/29/32/81/350293281.db2.gz ZWHDQBSFWBIQHD-UHFFFAOYSA-N -1 3 285.275 3.198 20 0 CGADHM Cc1cccc([O-])c1C(=O)Nc1cccc(C2CC2)n1 ZINC000627522016 350363475 /nfs/dbraw/zinc/36/34/75/350363475.db2.gz JKEBYZNPYHYXKE-UHFFFAOYSA-N -1 3 268.316 3.225 20 0 CGADHM Cc1cc(=O)[n-]c(C(C)(C)NCc2ccc3occc3c2)n1 ZINC000628374900 350519771 /nfs/dbraw/zinc/51/97/71/350519771.db2.gz LMDODBUAAGYGSM-UHFFFAOYSA-N -1 3 297.358 3.262 20 0 CGADHM COc1cccc(C(=O)N2CC(C)(C)CCC2(C)C)c1[O-] ZINC000628531663 350567129 /nfs/dbraw/zinc/56/71/29/350567129.db2.gz BUHIZMWDALUTNX-UHFFFAOYSA-N -1 3 291.391 3.442 20 0 CGADHM O=C(c1ccc2c(c1[O-])CCCC2)N(C1CC1)C1CC1 ZINC000628814082 350604948 /nfs/dbraw/zinc/60/49/48/350604948.db2.gz BPTGYSPPPAVTTP-UHFFFAOYSA-N -1 3 271.360 3.038 20 0 CGADHM CC(C)c1cnc(S(=O)(=O)[C@@H](C)c2ccccc2)[n-]1 ZINC000630432548 350839335 /nfs/dbraw/zinc/83/93/35/350839335.db2.gz OWMIKAALIYGBEY-NSHDSACASA-N -1 3 278.377 3.068 20 0 CGADHM CC(C)c1c[n-]c(S(=O)(=O)[C@@H](C)c2ccccc2)n1 ZINC000630432548 350839338 /nfs/dbraw/zinc/83/93/38/350839338.db2.gz OWMIKAALIYGBEY-NSHDSACASA-N -1 3 278.377 3.068 20 0 CGADHM Cc1ccc([O-])c(CN[C@@H](CF)c2ccc(F)cc2)n1 ZINC000631284579 351015248 /nfs/dbraw/zinc/01/52/48/351015248.db2.gz QPHBYSVAJXHRPE-ZDUSSCGKSA-N -1 3 278.302 3.035 20 0 CGADHM CCc1cccc(C(=O)N2CCC(CCF)CC2)c1[O-] ZINC000633961038 351404833 /nfs/dbraw/zinc/40/48/33/351404833.db2.gz HJUJUIPQECIXCN-UHFFFAOYSA-N -1 3 279.355 3.166 20 0 CGADHM Cc1cc(OCc2noc3c2CCCC3)cc2occ([O-])c21 ZINC000634561004 351514536 /nfs/dbraw/zinc/51/45/36/351514536.db2.gz HJRAUBURKLEHFS-UHFFFAOYSA-N -1 3 299.326 3.016 20 0 CGADHM Cc1[n-]n(Cc2cccc(Cl)c2)c(=O)c1C1CC1 ZINC000634604701 351538824 /nfs/dbraw/zinc/53/88/24/351538824.db2.gz OLCKVBRVLYGGKA-CYBMUJFWSA-N -1 3 262.740 3.084 20 0 CGADHM Cc1cc(OCc2cc(C3CC3)no2)cc2occ([O-])c21 ZINC000634561361 351515565 /nfs/dbraw/zinc/51/55/65/351515565.db2.gz YMCVCMRXRKRRQG-UHFFFAOYSA-N -1 3 285.299 3.015 20 0 CGADHM O=C([O-])c1ccoc1CN1CCC2(CCSCC2)CC1 ZINC000634696007 351574676 /nfs/dbraw/zinc/57/46/76/351574676.db2.gz FTSUJAWJGMMOKT-UHFFFAOYSA-N -1 3 295.404 3.087 20 0 CGADHM O=C([O-])c1coc(CN2CCC[C@H](C3CCC3)CC2)c1 ZINC000634697100 351576187 /nfs/dbraw/zinc/57/61/87/351576187.db2.gz AJPHHEVDNGMZFV-ZDUSSCGKSA-N -1 3 277.364 3.380 20 0 CGADHM CCc1cc(C(=O)N(C)[C@@H](C)c2cccnc2)ccc1[O-] ZINC000291475960 198032593 /nfs/dbraw/zinc/03/25/93/198032593.db2.gz JYSKLMPIVUBAOY-LBPRGKRZSA-N -1 3 284.359 3.183 20 0 CGADHM C[C@@]1(C2CCCCC2)CCN1C(=O)c1csc(=O)[n-]1 ZINC000636385952 351748697 /nfs/dbraw/zinc/74/86/97/351748697.db2.gz TXAWVHUHGRVDIA-AWEZNQCLSA-N -1 3 280.393 3.034 20 0 CGADHM C[C@H](CCC(=O)[N-]OC/C=C/Cl)c1ccccc1 ZINC000291779114 198088565 /nfs/dbraw/zinc/08/85/65/198088565.db2.gz JIWIPTUGWBPNKP-SBKJXLNCSA-N -1 3 267.756 3.371 20 0 CGADHM C[C@H](CCC(=O)Nc1ncccc1[O-])c1ccccc1 ZINC000123232778 187079386 /nfs/dbraw/zinc/07/93/86/187079386.db2.gz FATQKGCKVNHISP-GFCCVEGCSA-N -1 3 270.332 3.310 20 0 CGADHM CCc1cc(C(=O)N[C@@H](C)c2ncc(C)s2)ccc1[O-] ZINC000291966924 198120079 /nfs/dbraw/zinc/12/00/79/198120079.db2.gz PPDDFDAQDUIYBP-JTQLQIEISA-N -1 3 290.388 3.211 20 0 CGADHM CSCCON=C([O-])Nc1cccc(C2CCC2)c1 ZINC000291994436 198128839 /nfs/dbraw/zinc/12/88/39/198128839.db2.gz HEGSYHDRPSZHBT-UHFFFAOYSA-N -1 3 280.393 3.370 20 0 CGADHM CSCCO[N-]C(=O)Nc1cccc(C2CCC2)c1 ZINC000291994436 198128841 /nfs/dbraw/zinc/12/88/41/198128841.db2.gz HEGSYHDRPSZHBT-UHFFFAOYSA-N -1 3 280.393 3.370 20 0 CGADHM CC[C@@H]1CC[C@@H](C)N1C(=O)NCc1ccc([O-])c(F)c1 ZINC000271589019 191228886 /nfs/dbraw/zinc/22/88/86/191228886.db2.gz SSNXFQYPIGLEMX-ZYHUDNBSSA-N -1 3 280.343 3.004 20 0 CGADHM CCC(CC)N(CC)C(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000292145665 198181549 /nfs/dbraw/zinc/18/15/49/198181549.db2.gz MOYBLLOHABNPJL-UHFFFAOYSA-N -1 3 292.379 3.001 20 0 CGADHM O=C(c1ccccc1[O-])N1CCCC12CCCCC2 ZINC000367453951 234216413 /nfs/dbraw/zinc/21/64/13/234216413.db2.gz JJMCYHLCOWXPGY-UHFFFAOYSA-N -1 3 259.349 3.331 20 0 CGADHM Cc1nsc(C)c1C(=O)[N-]c1nnc(CC(C)C)s1 ZINC000292442947 198290178 /nfs/dbraw/zinc/29/01/78/198290178.db2.gz HVIJUROKHIAOTJ-UHFFFAOYSA-N -1 3 296.421 3.062 20 0 CGADHM COc1cccc(C(=O)N2CCC[C@@H]2CCC(C)C)c1[O-] ZINC000155615865 188216923 /nfs/dbraw/zinc/21/69/23/188216923.db2.gz YWKUOPDOJKZUBT-CYBMUJFWSA-N -1 3 291.391 3.442 20 0 CGADHM CC(C)CO[N-]C(=O)Nc1cccc(Br)c1 ZINC000158047346 188354698 /nfs/dbraw/zinc/35/46/98/188354698.db2.gz LUWRUIMPCCCDJX-UHFFFAOYSA-N -1 3 287.157 3.158 20 0 CGADHM CCc1cc(C(=O)N2CCC(C)=C(C)C2)ccc1[O-] ZINC000292685086 198375685 /nfs/dbraw/zinc/37/56/85/198375685.db2.gz BQNLIGCAGYXPSO-UHFFFAOYSA-N -1 3 259.349 3.137 20 0 CGADHM O=C1CCCc2ccc(NC([O-])=NOC3CCCC3)cc21 ZINC000271762268 191311845 /nfs/dbraw/zinc/31/18/45/191311845.db2.gz BHHGVAHCTHJQAS-UHFFFAOYSA-N -1 3 288.347 3.201 20 0 CGADHM O=C([N-]OC1CCCC1)Nc1ccc2c(c1)C(=O)CCC2 ZINC000271762268 191311848 /nfs/dbraw/zinc/31/18/48/191311848.db2.gz BHHGVAHCTHJQAS-UHFFFAOYSA-N -1 3 288.347 3.201 20 0 CGADHM O=C([O-])CCCCCNc1ccnc2ccccc21 ZINC000041719782 304047354 /nfs/dbraw/zinc/04/73/54/304047354.db2.gz UEBIUGHEBCKYEB-UHFFFAOYSA-N -1 3 258.321 3.292 20 0 CGADHM Cc1cc(C(=O)NC[C@@H]2CCC[C@H]2C2CC2)ccc1[O-] ZINC000413887495 235316582 /nfs/dbraw/zinc/31/65/82/235316582.db2.gz WKWZALABCOAPKI-GJZGRUSLSA-N -1 3 273.376 3.257 20 0 CGADHM O=C([N-]c1c(F)cc(F)cc1F)c1cccs1 ZINC000088724056 138342789 /nfs/dbraw/zinc/34/27/89/138342789.db2.gz AQKXOCFTCPJYHE-UHFFFAOYSA-N -1 3 257.236 3.418 20 0 CGADHM Cc1ccc(C(=O)[N-]c2nc(Cc3ccccc3)ns2)o1 ZINC000107197673 138357474 /nfs/dbraw/zinc/35/74/74/138357474.db2.gz RAGVOZUBJQUUMW-UHFFFAOYSA-N -1 3 299.355 3.283 20 0 CGADHM CCS[C@H](C(=O)Nc1ccc([O-])cc1F)C(C)C ZINC000124400574 138374969 /nfs/dbraw/zinc/37/49/69/138374969.db2.gz BBFYAQQKFANFKT-LBPRGKRZSA-N -1 3 271.357 3.248 20 0 CGADHM CC[C@@H](C)c1cc(C(=O)[N-]c2nc(C)cs2)on1 ZINC000128819276 138395294 /nfs/dbraw/zinc/39/52/94/138395294.db2.gz WEVLBNUWYBFMBD-SSDOTTSWSA-N -1 3 265.338 3.205 20 0 CGADHM C[C@@]1(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)C[C@@H]1F ZINC000424733486 236185207 /nfs/dbraw/zinc/18/52/07/236185207.db2.gz INHLAKIKAOJSNV-GXSJLCMTSA-N -1 3 277.217 3.098 20 0 CGADHM CC[C@]1(CO)CCCN(Cc2cccc([O-])c2Cl)C1 ZINC000294489510 199059274 /nfs/dbraw/zinc/05/92/74/199059274.db2.gz AZUMEBWDRUVZDO-HNNXBMFYSA-N -1 3 283.799 3.030 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)C[C@@H](C)n2cccn2)c1[O-] ZINC000424752074 236187287 /nfs/dbraw/zinc/18/72/87/236187287.db2.gz NTVZBXHOTCSDOS-SNVBAGLBSA-N -1 3 293.754 3.140 20 0 CGADHM CO[C@]1(C)CCCN(Cc2c(F)ccc([O-])c2F)CC1 ZINC000294520631 199070780 /nfs/dbraw/zinc/07/07/80/199070780.db2.gz CMJUSJJLXDBLHF-OAHLLOKOSA-N -1 3 285.334 3.061 20 0 CGADHM CO[C@@]1(C)CCCN(Cc2c(F)ccc([O-])c2F)CC1 ZINC000294520627 199070867 /nfs/dbraw/zinc/07/08/67/199070867.db2.gz CMJUSJJLXDBLHF-HNNXBMFYSA-N -1 3 285.334 3.061 20 0 CGADHM C[C@H](CO)N(Cc1cccc([O-])c1Cl)CC1CCC1 ZINC000294579640 199094025 /nfs/dbraw/zinc/09/40/25/199094025.db2.gz GVVMEPKNWOGNDL-LLVKDONJSA-N -1 3 283.799 3.029 20 0 CGADHM Cc1ccc2cc([C@H](C)NCc3cnc(C)[n-]c3=O)oc2c1 ZINC000426063659 236280326 /nfs/dbraw/zinc/28/03/26/236280326.db2.gz UHQOFPSHPVMHMB-NSHDSACASA-N -1 3 297.358 3.396 20 0 CGADHM O=C([O-])c1ccc(CNCc2cc3ccccc3o2)cc1 ZINC000426690624 236306480 /nfs/dbraw/zinc/30/64/80/236306480.db2.gz BRKLZXYNMLFFCT-UHFFFAOYSA-N -1 3 281.311 3.421 20 0 CGADHM Cc1cccc([C@@H](NCc2cccc(F)c2)C(=O)[O-])c1C ZINC000426720450 236308259 /nfs/dbraw/zinc/30/82/59/236308259.db2.gz MXIGMZKEGCHYDE-MRXNPFEDSA-N -1 3 287.334 3.358 20 0 CGADHM CC(C)c1ccc([C@@H](C)CC(=O)[N-]OCC(C)(C)O)cc1 ZINC000294592563 199099695 /nfs/dbraw/zinc/09/96/95/199099695.db2.gz XCSWYLUCRZNSHD-ZDUSSCGKSA-N -1 3 293.407 3.122 20 0 CGADHM Cc1ccc([C@@H](CC(=O)[O-])NCc2cccc3[nH]ccc32)o1 ZINC000426766283 236312563 /nfs/dbraw/zinc/31/25/63/236312563.db2.gz YXOHYEZQDWWYPJ-OAHLLOKOSA-N -1 3 298.342 3.375 20 0 CGADHM CN(C(=O)CCCc1ccc([O-])c(F)c1)[C@H]1CC1(C)C ZINC000428084459 236362034 /nfs/dbraw/zinc/36/20/34/236362034.db2.gz NZHCXWTWPCSWMF-AWEZNQCLSA-N -1 3 279.355 3.111 20 0 CGADHM CCC[C@@H](OC)C(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000450937822 535402085 /nfs/dbraw/zinc/40/20/85/535402085.db2.gz OPPJISYZOAMFGO-SMDDNHRTSA-N -1 3 277.364 3.048 20 0 CGADHM Cc1cc(C)cc(C[C@@H](C)NC(=O)c2c([O-])cccc2O)c1 ZINC000436646794 237153782 /nfs/dbraw/zinc/15/37/82/237153782.db2.gz JFAVUOZVFUALSR-CYBMUJFWSA-N -1 3 299.370 3.076 20 0 CGADHM C[C@@H]1CC[C@@H](Cc2nc(-c3ccc([O-])cc3)no2)C1 ZINC000436533796 237124892 /nfs/dbraw/zinc/12/48/92/237124892.db2.gz NNMOOCHUKAYTGO-GHMZBOCLSA-N -1 3 258.321 3.421 20 0 CGADHM Cc1ccc(C(=O)N(C(C)C)C2CCC2)c([O-])c1C ZINC000436566779 237134024 /nfs/dbraw/zinc/13/40/24/237134024.db2.gz YLSBPTRNOAOCSP-UHFFFAOYSA-N -1 3 261.365 3.412 20 0 CGADHM Cc1ccc(C(=O)Nc2ncccc2C(C)C)c([O-])c1 ZINC000436603825 237141159 /nfs/dbraw/zinc/14/11/59/237141159.db2.gz IHZCEKOLGNYPHB-UHFFFAOYSA-N -1 3 270.332 3.471 20 0 CGADHM Cc1ccc(C(=O)N[C@@H]2[C@H]3Cc4ccccc4[C@@H]23)c([O-])c1C ZINC000436599811 237142122 /nfs/dbraw/zinc/14/21/22/237142122.db2.gz ZCEYBLHAADRIKH-GVDBMIGSSA-N -1 3 293.366 3.077 20 0 CGADHM Cc1cccnc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000436792239 237180723 /nfs/dbraw/zinc/18/07/23/237180723.db2.gz MPZANIDAOSBEKF-UHFFFAOYSA-N -1 3 262.696 3.001 20 0 CGADHM Cc1ccc([O-])c(C(=O)NCCC2C[C@H](C)O[C@@H](C)C2)c1 ZINC000436697293 237162134 /nfs/dbraw/zinc/16/21/34/237162134.db2.gz JKZMNQMWUQHVFE-STQMWFEESA-N -1 3 291.391 3.024 20 0 CGADHM Cc1ccc(C(=O)N[C@H](C)c2cncc(F)c2)c([O-])c1C ZINC000436718278 237166700 /nfs/dbraw/zinc/16/67/00/237166700.db2.gz ZGAJFLKZVHEFLY-LLVKDONJSA-N -1 3 288.322 3.034 20 0 CGADHM Cc1cccc(C(=O)N[C@H](C)c2c(F)cccc2F)c1[O-] ZINC000436753698 237174879 /nfs/dbraw/zinc/17/48/79/237174879.db2.gz FKBHOBWURYMOIE-SNVBAGLBSA-N -1 3 291.297 3.470 20 0 CGADHM Cc1cc(C(=O)N(C)[C@H](C)Cc2ccc(O)cc2)ccc1[O-] ZINC000436938760 237218660 /nfs/dbraw/zinc/21/86/60/237218660.db2.gz MPLLSVXTQBYGGU-CYBMUJFWSA-N -1 3 299.370 3.109 20 0 CGADHM O=C(NC[C@@H](c1ccccc1)C1CC1)c1ccc(O)cc1[O-] ZINC000436842386 237193529 /nfs/dbraw/zinc/19/35/29/237193529.db2.gz DFOHAWYAXOVGQT-INIZCTEOSA-N -1 3 297.354 3.021 20 0 CGADHM Cc1cccc(OC[C@@H](C)NC(=O)c2ccc([O-])c(C)c2)c1 ZINC000436929539 237212365 /nfs/dbraw/zinc/21/23/65/237212365.db2.gz UVMGFYMFUJUMKC-CQSZACIVSA-N -1 3 299.370 3.206 20 0 CGADHM CCn1ncc2ccc(NC(=O)c3ccc([O-])c(C)c3)cc21 ZINC000436936869 237217068 /nfs/dbraw/zinc/21/70/68/237217068.db2.gz ZSUKWRPBGSWQOI-UHFFFAOYSA-N -1 3 295.342 3.323 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N(C)Cc2ccccc2Cl)n1 ZINC000177913367 189078756 /nfs/dbraw/zinc/07/87/56/189078756.db2.gz PQWWBOMPWVDFFM-NSHDSACASA-N -1 3 291.782 3.337 20 0 CGADHM Cc1ccc(O[C@@H](C)CNC(=O)c2cc(C)ccc2[O-])cc1 ZINC000440264191 238300539 /nfs/dbraw/zinc/30/05/39/238300539.db2.gz HUURKRXUYDZHQR-AWEZNQCLSA-N -1 3 299.370 3.206 20 0 CGADHM Cc1ccc(O[C@H](C)CNC(=O)c2cccc(C)c2[O-])cc1 ZINC000440266808 238301096 /nfs/dbraw/zinc/30/10/96/238301096.db2.gz KJYRJAZJVAFRGO-CQSZACIVSA-N -1 3 299.370 3.206 20 0 CGADHM CC(=O)[N-]O[C@@H](C)c1nc(C)c(-c2ccc(Cl)cc2)o1 ZINC000180802924 189275847 /nfs/dbraw/zinc/27/58/47/189275847.db2.gz ITPGXOYPSGQBJO-VIFPVBQESA-N -1 3 294.738 3.432 20 0 CGADHM CCC[C@@H]1C[C@@H](C(=O)Nc2c(C)cccc2[O-])CCO1 ZINC000182974886 189340916 /nfs/dbraw/zinc/34/09/16/189340916.db2.gz LRJJFWLLCHXAQD-QWHCGFSZSA-N -1 3 277.364 3.234 20 0 CGADHM CC(C)Cn1cc(C(=O)Nc2cc(Cl)ccc2[O-])cn1 ZINC000183300157 189354180 /nfs/dbraw/zinc/35/41/80/189354180.db2.gz OYAJJRGBZXFCQZ-UHFFFAOYSA-N -1 3 293.754 3.150 20 0 CGADHM Cc1cccc([O-])c1NC(=O)[C@@H](C)c1ccccc1 ZINC000183877015 189370486 /nfs/dbraw/zinc/37/04/86/189370486.db2.gz MNYMOUJUNRWMNI-LBPRGKRZSA-N -1 3 255.317 3.443 20 0 CGADHM CO[C@H]1CCCC[C@@H]1[N-]c1nc(-c2ccc(C)cc2)no1 ZINC000302022421 201303082 /nfs/dbraw/zinc/30/30/82/201303082.db2.gz FKHJWAARRQCDSB-KBPBESRZSA-N -1 3 287.363 3.415 20 0 CGADHM O=S(=O)([N-][C@H](c1ccccc1)C1CCC1)c1ccco1 ZINC000188672247 189509249 /nfs/dbraw/zinc/50/92/49/189509249.db2.gz SXNKAZJYVXKYBX-OAHLLOKOSA-N -1 3 291.372 3.099 20 0 CGADHM CCCn1c(=O)[n-]nc1S[C@@H](C)C(=O)C1CCCCC1 ZINC000450672555 240027806 /nfs/dbraw/zinc/02/78/06/240027806.db2.gz HRGYHXZAMQROKB-JTQLQIEISA-N -1 3 297.424 3.024 20 0 CGADHM FC(F)(F)c1c[n-]c(=NC[C@@H]2CCCC2(F)F)s1 ZINC000450737364 240062302 /nfs/dbraw/zinc/06/23/02/240062302.db2.gz LHFXCJCVSMANSS-LURJTMIESA-N -1 3 286.269 3.431 20 0 CGADHM O=C([O-])c1ccc(CN2CCC[C@H]2c2cccnc2)cc1 ZINC000455666808 241307604 /nfs/dbraw/zinc/30/76/04/241307604.db2.gz WDRFBHIXNIVFBV-INIZCTEOSA-N -1 3 282.343 3.117 20 0 CGADHM CC[C@@H]1CCC[C@@H]1CNC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000456046291 241352367 /nfs/dbraw/zinc/35/23/67/241352367.db2.gz PAPMXEYSBVPSGV-CHWSQXEVSA-N -1 3 298.386 3.084 20 0 CGADHM CC[C@@H]1CC[C@H](C)N(C(=O)c2ccc([O-])c(OC)c2)C1 ZINC000456821303 241495254 /nfs/dbraw/zinc/49/52/54/241495254.db2.gz POQVNXXRKWFMEC-NWDGAFQWSA-N -1 3 277.364 3.052 20 0 CGADHM Cc1cccc([C@H](C)C(=O)Nc2nnc(-c3ccco3)[n-]2)c1 ZINC000121022406 370823978 /nfs/dbraw/zinc/82/39/78/370823978.db2.gz PQZLJJPPWGMINJ-NSHDSACASA-N -1 3 296.330 3.115 20 0 CGADHM Cc1cccc([C@H](C)C(=O)Nc2nc(-c3ccco3)n[n-]2)c1 ZINC000121022406 370823983 /nfs/dbraw/zinc/82/39/83/370823983.db2.gz PQZLJJPPWGMINJ-NSHDSACASA-N -1 3 296.330 3.115 20 0 CGADHM Cc1cccc([C@H](C)C(=O)Nc2n[n-]c(-c3ccco3)n2)c1 ZINC000121022406 370823988 /nfs/dbraw/zinc/82/39/88/370823988.db2.gz PQZLJJPPWGMINJ-NSHDSACASA-N -1 3 296.330 3.115 20 0 CGADHM CCOc1cc(CNc2cnn(C)c2C)cc(Cl)c1[O-] ZINC000459456064 242115369 /nfs/dbraw/zinc/11/53/69/242115369.db2.gz FDNQDUKCZWYYMV-UHFFFAOYSA-N -1 3 295.770 3.098 20 0 CGADHM CCOc1cc(CN2CCC(F)(F)C2)cc(Cl)c1[O-] ZINC000459455227 242115944 /nfs/dbraw/zinc/11/59/44/242115944.db2.gz COYYCOZJILJVKM-UHFFFAOYSA-N -1 3 291.725 3.285 20 0 CGADHM C[C@@H]1CN(Cc2cc(=O)[n-]c(C3CC3)n2)[C@@H]1c1ccccc1 ZINC000459364489 242091382 /nfs/dbraw/zinc/09/13/82/242091382.db2.gz SLRSKMFQXGEHDQ-PXAZEXFGSA-N -1 3 295.386 3.253 20 0 CGADHM CO[C@](C)(C(=O)Nc1ccc(C(C)(C)C)cc1[O-])C1CC1 ZINC000462388344 242341514 /nfs/dbraw/zinc/34/15/14/242341514.db2.gz AEJYTCXXSAWGDX-KRWDZBQOSA-N -1 3 291.391 3.443 20 0 CGADHM C[C@H]1CCC[C@H]1C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000461816998 242315186 /nfs/dbraw/zinc/31/51/86/242315186.db2.gz AHRIDCYHMLEHMU-IUCAKERBSA-N -1 3 293.841 3.116 20 0 CGADHM CC[C@@H](C)[C@@H](C)NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000468616794 242649617 /nfs/dbraw/zinc/64/96/17/242649617.db2.gz CLKQFQDJXICSSN-VXGBXAGGSA-N -1 3 281.371 3.405 20 0 CGADHM CC(C)[C@H]1C[C@@H]1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000477706161 243051554 /nfs/dbraw/zinc/05/15/54/243051554.db2.gz VAJPPAUHJTVEAE-ZJUUUORDSA-N -1 3 253.729 3.276 20 0 CGADHM C[C@@H]1CC[C@@H](CNC(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000478115059 243068150 /nfs/dbraw/zinc/06/81/50/243068150.db2.gz YWGJMRVIPNGDBL-TZMCWYRMSA-N -1 3 293.382 3.406 20 0 CGADHM CC(C)N(Cc1ccc(C(=O)[O-])o1)Cc1ccccc1 ZINC000011947408 368601306 /nfs/dbraw/zinc/60/13/06/368601306.db2.gz BRIZEZOOXOSRJV-UHFFFAOYSA-N -1 3 273.332 3.388 20 0 CGADHM CCC(CC)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000016093147 368706982 /nfs/dbraw/zinc/70/69/82/368706982.db2.gz BKEPATWKRHHZAM-UHFFFAOYSA-N -1 3 296.219 3.460 20 0 CGADHM CC(C)CCC[C@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000013939243 368669596 /nfs/dbraw/zinc/66/95/96/368669596.db2.gz ZPASBPORVKATHK-NSHDSACASA-N -1 3 275.439 3.241 20 0 CGADHM CCO[N-]C(=O)C(C)(C)Cc1ccc(C(F)(F)F)cc1 ZINC000276017135 193188992 /nfs/dbraw/zinc/18/89/92/193188992.db2.gz BQOAEJOFYLABQI-UHFFFAOYSA-N -1 3 289.297 3.342 20 0 CGADHM Cc1ccc(C(=O)NCc2ccc(C)c(F)c2)c([O-])c1 ZINC000024284089 368830834 /nfs/dbraw/zinc/83/08/34/368830834.db2.gz HRLPYWHHZPXMTP-UHFFFAOYSA-N -1 3 273.307 3.078 20 0 CGADHM O=C(Nc1cccc(F)c1)c1cc(-c2ccco2)[n-]n1 ZINC000028267183 368883926 /nfs/dbraw/zinc/88/39/26/368883926.db2.gz UTMQKILQIUUZGP-UHFFFAOYSA-N -1 3 271.251 3.061 20 0 CGADHM O=C(Nc1cccc(F)c1)c1cc(-c2ccco2)n[n-]1 ZINC000028267183 368883930 /nfs/dbraw/zinc/88/39/30/368883930.db2.gz UTMQKILQIUUZGP-UHFFFAOYSA-N -1 3 271.251 3.061 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2nc3c(s2)CCCC3)c1 ZINC000030674394 368904345 /nfs/dbraw/zinc/90/43/45/368904345.db2.gz CQBNSNCCOMVIMC-UHFFFAOYSA-N -1 3 288.372 3.288 20 0 CGADHM CC[C@@H](C)N(CC(=O)[O-])Cc1c(F)cccc1Cl ZINC000032120768 368926761 /nfs/dbraw/zinc/92/67/61/368926761.db2.gz NDRQRATVJGXWGI-SECBINFHSA-N -1 3 273.735 3.164 20 0 CGADHM COc1cccc(C(=O)N(C)[C@H]2CCC[C@@H](C)C2)c1[O-] ZINC000042355390 369216223 /nfs/dbraw/zinc/21/62/23/369216223.db2.gz WRMPRAXZEOCTDR-NEPJUHHUSA-N -1 3 277.364 3.052 20 0 CGADHM CC(C)c1ccc(SCC(=O)[N-]C2=NCCS2)cc1 ZINC000042195183 369203419 /nfs/dbraw/zinc/20/34/19/369203419.db2.gz WBGNQCZPFUMNCV-UHFFFAOYSA-N -1 3 294.445 3.121 20 0 CGADHM CN(CCCC(=O)[O-])Cc1ccc(Cl)cc1Cl ZINC000042717166 369229896 /nfs/dbraw/zinc/22/98/96/369229896.db2.gz NNKQWBTUBSAKEK-UHFFFAOYSA-N -1 3 276.163 3.290 20 0 CGADHM CC(=O)c1cc(NC(=O)C=Cc2cccc([O-])c2)ccc1F ZINC000493731681 244221411 /nfs/dbraw/zinc/22/14/11/244221411.db2.gz XVJIUOUFJMSNQV-YVMONPNESA-N -1 3 299.301 3.386 20 0 CGADHM O=C([O-])[C@H](NCc1cccs1)c1ccc(Cl)c(F)c1 ZINC000043391177 369251343 /nfs/dbraw/zinc/25/13/43/369251343.db2.gz BOBXIDZQSXUOEI-GFCCVEGCSA-N -1 3 299.754 3.456 20 0 CGADHM CC[C@@H](NC(=O)c1cccc([O-])c1)c1cccs1 ZINC000049532399 369408190 /nfs/dbraw/zinc/40/81/90/369408190.db2.gz VCRSLIPHEKTPPZ-GFCCVEGCSA-N -1 3 261.346 3.335 20 0 CGADHM COc1cc(C(=O)N(C)[C@H]2CCC[C@@H](C)C2)ccc1[O-] ZINC000276208350 193242959 /nfs/dbraw/zinc/24/29/59/193242959.db2.gz WCAMLUGQCOSXCV-YPMHNXCESA-N -1 3 277.364 3.052 20 0 CGADHM CC(C)c1cc(C(=O)[N-]c2cc(F)ccc2F)on1 ZINC000072642692 369831727 /nfs/dbraw/zinc/83/17/27/369831727.db2.gz JKLNITPPVQMQTL-UHFFFAOYSA-N -1 3 266.247 3.329 20 0 CGADHM Cc1ccnc(-c2nc(=O)c3c(C(C)C)csc3[n-]2)c1 ZINC000069980427 369776434 /nfs/dbraw/zinc/77/64/34/369776434.db2.gz BQMPFVVMFGTMEA-UHFFFAOYSA-N -1 3 285.372 3.478 20 0 CGADHM CCC[C@@H](C)C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000076720512 369939979 /nfs/dbraw/zinc/93/99/79/369939979.db2.gz KRHGQILWPZGPNB-LLVKDONJSA-N -1 3 299.374 3.120 20 0 CGADHM CC[C@@H](C)N(CC(=O)[O-])Cc1cc2ccccc2o1 ZINC000086752400 370021660 /nfs/dbraw/zinc/02/16/60/370021660.db2.gz VCVVORRWMSXRLB-LLVKDONJSA-N -1 3 261.321 3.118 20 0 CGADHM O=C(Nc1ccccc1[O-])[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000109081940 370360627 /nfs/dbraw/zinc/36/06/27/370360627.db2.gz HTBFLLDQBDGFDH-WDEREUQCSA-N -1 3 289.281 3.413 20 0 CGADHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccncc2C)c(C)c1 ZINC000112496487 370429236 /nfs/dbraw/zinc/42/92/36/370429236.db2.gz LRIRNFWSFZHCBS-UHFFFAOYSA-N -1 3 290.388 3.116 20 0 CGADHM CC[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000512032422 245016482 /nfs/dbraw/zinc/01/64/82/245016482.db2.gz UPPZYMYXLVBCLL-DTWKUNHWSA-N -1 3 293.791 3.192 20 0 CGADHM Cc1ccc([O-])c(CN[C@@H]2CCSc3ccccc32)n1 ZINC000112716360 370445755 /nfs/dbraw/zinc/44/57/55/370445755.db2.gz NIQGNOATWJWYEB-CYBMUJFWSA-N -1 3 286.400 3.422 20 0 CGADHM Cc1ccc([O-])c(CN[C@H](C)c2c(F)cccc2F)n1 ZINC000112716703 370446268 /nfs/dbraw/zinc/44/62/68/370446268.db2.gz MUNGIKKLIKMVOU-SNVBAGLBSA-N -1 3 278.302 3.225 20 0 CGADHM CCc1cccc(C(=O)Nc2ccc(SC)cn2)c1[O-] ZINC000538745067 288587401 /nfs/dbraw/zinc/58/74/01/288587401.db2.gz PESSULZPHXHKQG-UHFFFAOYSA-N -1 3 288.372 3.324 20 0 CGADHM Cc1ccc([O-])c(C(=O)NC(C)(C)c2cccs2)c1 ZINC000538743963 288587440 /nfs/dbraw/zinc/58/74/40/288587440.db2.gz YYRPTBQDPQGLPC-UHFFFAOYSA-N -1 3 275.373 3.427 20 0 CGADHM C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)c1ccc(O)cc1[O-] ZINC000115138356 370523168 /nfs/dbraw/zinc/52/31/68/370523168.db2.gz JXSMOUVENYOTSX-TZMCWYRMSA-N -1 3 297.354 3.116 20 0 CGADHM Cc1ccc(C(=O)N2CCc3ccsc3C2)c([O-])c1C ZINC000130257682 371021803 /nfs/dbraw/zinc/02/18/03/371021803.db2.gz WYEIRBDUSUSDJT-UHFFFAOYSA-N -1 3 287.384 3.269 20 0 CGADHM CC(C)Cc1noc(Cc2ccc([O-])cc2Cl)n1 ZINC000131933883 371139978 /nfs/dbraw/zinc/13/99/78/371139978.db2.gz BQAWMSSEGGYWSF-UHFFFAOYSA-N -1 3 266.728 3.218 20 0 CGADHM CCc1cc(=O)[n-]c(CN[C@@H]2CCC[C@H]2c2ccccc2)n1 ZINC000133734235 371275700 /nfs/dbraw/zinc/27/57/00/371275700.db2.gz WDEUFCPATRTJMF-JKSUJKDBSA-N -1 3 297.402 3.171 20 0 CGADHM Cc1cc(C(=O)[N-]c2nnc(CC(C)C)s2)oc1C ZINC000134730162 371361279 /nfs/dbraw/zinc/36/12/79/371361279.db2.gz RVHSDTZFGODMRD-UHFFFAOYSA-N -1 3 279.365 3.199 20 0 CGADHM COc1cc(-c2nc(-c3ccc([O-])cc3)no2)ccc1F ZINC000147461378 371519355 /nfs/dbraw/zinc/51/93/55/371519355.db2.gz MKQBZNQXJWEYMQ-UHFFFAOYSA-N -1 3 286.262 3.257 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2C[C@@H](C)CCC[C@H]2C)c1 ZINC000150784438 371538242 /nfs/dbraw/zinc/53/82/42/371538242.db2.gz CIKXOOHBFKGPEM-QWHCGFSZSA-N -1 3 261.365 3.351 20 0 CGADHM COc1cc(C)cc(NC([O-])=NOC/C=C/Cl)c1C ZINC000289643780 371782178 /nfs/dbraw/zinc/78/21/78/371782178.db2.gz HWXBQNKCBQMXMM-SNAWJCMRSA-N -1 3 284.743 3.118 20 0 CGADHM COc1cc(C)cc(NC(=O)[N-]OC/C=C/Cl)c1C ZINC000289643780 371782191 /nfs/dbraw/zinc/78/21/91/371782191.db2.gz HWXBQNKCBQMXMM-SNAWJCMRSA-N -1 3 284.743 3.118 20 0 CGADHM CCc1onc(C)c1[N-]C(=O)c1csc(C2CC2)n1 ZINC000154103742 371818940 /nfs/dbraw/zinc/81/89/40/371818940.db2.gz JQODFFOIOCAPPW-UHFFFAOYSA-N -1 3 277.349 3.132 20 0 CGADHM CC(C)CO[N-]C(=O)Nc1ccccc1N1CCCCC1 ZINC000158232982 372059988 /nfs/dbraw/zinc/05/99/88/372059988.db2.gz IJBQYVLESZPHLK-UHFFFAOYSA-N -1 3 291.395 3.386 20 0 CGADHM O=C(c1c[n-]c2ccccc2c1=O)N1CCC[C@H](C2CC2)C1 ZINC000290809738 372057127 /nfs/dbraw/zinc/05/71/27/372057127.db2.gz GACDGECPEKSXNB-ZDUSSCGKSA-N -1 3 296.370 3.203 20 0 CGADHM CC1(C)CN(C(=O)c2c[n-]c3ccccc3c2=O)[C@@H]1C1CC1 ZINC000291068236 372107893 /nfs/dbraw/zinc/10/78/93/372107893.db2.gz INRMOABPZZSVFV-MRXNPFEDSA-N -1 3 296.370 3.201 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])c1cccc2c[nH]nc21 ZINC000344223113 217106739 /nfs/dbraw/zinc/10/67/39/217106739.db2.gz ZEYPDBYCGLHTKI-UHFFFAOYSA-N -1 3 287.706 3.174 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])c1cccc2cn[nH]c21 ZINC000344223113 217106742 /nfs/dbraw/zinc/10/67/42/217106742.db2.gz ZEYPDBYCGLHTKI-UHFFFAOYSA-N -1 3 287.706 3.174 20 0 CGADHM CC(F)(F)C(=O)[N-][C@@H](c1ccc(F)cc1)C1CCC1 ZINC000292961414 372261709 /nfs/dbraw/zinc/26/17/09/372261709.db2.gz BJOLQINZPXHBRN-GFCCVEGCSA-N -1 3 271.282 3.438 20 0 CGADHM CC(F)(F)C(=O)[N-]C(C)(C)c1ccc(Cl)cc1 ZINC000292966341 372262558 /nfs/dbraw/zinc/26/25/58/372262558.db2.gz GJCSETVQMSTNRQ-UHFFFAOYSA-N -1 3 261.699 3.347 20 0 CGADHM CO[C@H]1CCCC[C@H]1c1nc(-c2ccc([O-])cc2)no1 ZINC000293148420 372311988 /nfs/dbraw/zinc/31/19/88/372311988.db2.gz KNLQQWRMKNOTDQ-OLZOCXBDSA-N -1 3 274.320 3.115 20 0 CGADHM CSC1(CNCc2cccc([O-])c2Cl)CCC1 ZINC000293174131 372318405 /nfs/dbraw/zinc/31/84/05/372318405.db2.gz GTDJRMAMFVZIDK-UHFFFAOYSA-N -1 3 271.813 3.421 20 0 CGADHM CCc1cc(=O)[n-]c(CN2CCCC[C@H]2CC(C)C)n1 ZINC000344365965 217170473 /nfs/dbraw/zinc/17/04/73/217170473.db2.gz NGFBDNKGSQODNX-AWEZNQCLSA-N -1 3 277.412 3.145 20 0 CGADHM Cc1ccsc1[C@H]1C[C@@H]1C(=O)[N-]OCCC(F)(F)F ZINC000162635279 372408273 /nfs/dbraw/zinc/40/82/73/372408273.db2.gz GWXAWYDKTXQHLL-IUCAKERBSA-N -1 3 293.310 3.160 20 0 CGADHM Cc1csc([C@@H](C)CNCc2c(F)ccc([O-])c2F)n1 ZINC000293636522 372430832 /nfs/dbraw/zinc/43/08/32/372430832.db2.gz NNLNJNNVCHENIG-QMMMGPOBSA-N -1 3 298.358 3.329 20 0 CGADHM CC(C)c1cccc(NC(=O)c2cc(F)cc3[n-]nnc32)c1 ZINC000431511272 372481678 /nfs/dbraw/zinc/48/16/78/372481678.db2.gz AAFAPUSDQLSGSE-UHFFFAOYSA-N -1 3 298.321 3.473 20 0 CGADHM [O-]c1ccc(F)c(CN[C@@H]2CCOC3(CCCC3)C2)c1F ZINC000293676549 372446784 /nfs/dbraw/zinc/44/67/84/372446784.db2.gz RBNCIYPSQLAXDK-LLVKDONJSA-N -1 3 297.345 3.252 20 0 CGADHM CC(C)c1cccc(NC(=O)c2cc(F)cc3nn[n-]c32)c1 ZINC000431511272 372481685 /nfs/dbraw/zinc/48/16/85/372481685.db2.gz AAFAPUSDQLSGSE-UHFFFAOYSA-N -1 3 298.321 3.473 20 0 CGADHM CC(C)c1cccc(NC(=O)c2cc(F)cc3n[n-]nc32)c1 ZINC000431511272 372481692 /nfs/dbraw/zinc/48/16/92/372481692.db2.gz AAFAPUSDQLSGSE-UHFFFAOYSA-N -1 3 298.321 3.473 20 0 CGADHM CCCC[C@@H](CC)CNC(=O)c1cc(F)cc2nn[n-]c21 ZINC000431509671 372481832 /nfs/dbraw/zinc/48/18/32/372481832.db2.gz PXETZVCXMUIWNH-SNVBAGLBSA-N -1 3 292.358 3.043 20 0 CGADHM CCCC[C@@H](CC)CNC(=O)c1cc(F)cc2[n-]nnc21 ZINC000431509671 372481835 /nfs/dbraw/zinc/48/18/35/372481835.db2.gz PXETZVCXMUIWNH-SNVBAGLBSA-N -1 3 292.358 3.043 20 0 CGADHM CCCC[C@@H](CC)CNC(=O)c1cc(F)cc2n[n-]nc21 ZINC000431509671 372481837 /nfs/dbraw/zinc/48/18/37/372481837.db2.gz PXETZVCXMUIWNH-SNVBAGLBSA-N -1 3 292.358 3.043 20 0 CGADHM C[C@H](Cc1ccc(O)cc1)NCc1cccc([O-])c1Cl ZINC000293687422 372451728 /nfs/dbraw/zinc/45/17/28/372451728.db2.gz WCCPSYFIKNMJIH-LLVKDONJSA-N -1 3 291.778 3.472 20 0 CGADHM Cc1cccc2c(=O)c(C(=O)N(C)CC3CCC3)c[n-]c12 ZINC000163467002 372471177 /nfs/dbraw/zinc/47/11/77/372471177.db2.gz RKFIKYIMKSIKGH-UHFFFAOYSA-N -1 3 284.359 3.121 20 0 CGADHM Cc1ccc(-c2nnc(NC(=O)[C@@H](C)c3ccccc3)[n-]2)o1 ZINC000164966123 372538508 /nfs/dbraw/zinc/53/85/08/372538508.db2.gz AVNBIDJSXNQOID-NSHDSACASA-N -1 3 296.330 3.115 20 0 CGADHM Cc1ccc(-c2n[n-]c(NC(=O)[C@@H](C)c3ccccc3)n2)o1 ZINC000164966123 372538517 /nfs/dbraw/zinc/53/85/17/372538517.db2.gz AVNBIDJSXNQOID-NSHDSACASA-N -1 3 296.330 3.115 20 0 CGADHM Cc1ccc(-c2nc(NC(=O)[C@@H](C)c3ccccc3)n[n-]2)o1 ZINC000164966123 372538523 /nfs/dbraw/zinc/53/85/23/372538523.db2.gz AVNBIDJSXNQOID-NSHDSACASA-N -1 3 296.330 3.115 20 0 CGADHM CCOC1CC(N(C)Cc2cccc([O-])c2Cl)C1 ZINC000293884176 372513616 /nfs/dbraw/zinc/51/36/16/372513616.db2.gz JXOMYTZSAJYNCA-UHFFFAOYSA-N -1 3 269.772 3.045 20 0 CGADHM O=C([O-])CCCNCc1c(Cl)oc2ccccc21 ZINC000164459682 372519473 /nfs/dbraw/zinc/51/94/73/372519473.db2.gz KIWLMAPPZJUKQK-UHFFFAOYSA-N -1 3 267.712 3.041 20 0 CGADHM CN(Cc1ccc(F)c(Cl)c1)C(=O)c1cccc([O-])c1 ZINC000432286570 372555078 /nfs/dbraw/zinc/55/50/78/372555078.db2.gz YZLDAGGCLFEUQA-UHFFFAOYSA-N -1 3 293.725 3.457 20 0 CGADHM Cc1cc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)ccn1 ZINC000295326184 372739283 /nfs/dbraw/zinc/73/92/83/372739283.db2.gz OQPFPHZPYFNBHG-UHFFFAOYSA-N -1 3 288.372 3.068 20 0 CGADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CC[C@@H]2CCC[C@@H]21 ZINC000436834257 296189676 /nfs/dbraw/zinc/18/96/76/296189676.db2.gz LOSSPUGFVVWTPC-LRDDRELGSA-N -1 3 285.387 3.286 20 0 CGADHM CC(C)O[N-]C(=O)C[C@H](C)c1c[nH]c2ccccc21 ZINC000295484197 372799663 /nfs/dbraw/zinc/79/96/63/372799663.db2.gz FBPFUKHQAHTIRY-NSHDSACASA-N -1 3 260.337 3.118 20 0 CGADHM O=C(c1cc2c(cc1[O-])CCCC2)N1C[C@@H]2CCC[C@H]2C1 ZINC000436585686 296190058 /nfs/dbraw/zinc/19/00/58/296190058.db2.gz TXKMOBJJIBQCOF-GJZGRUSLSA-N -1 3 285.387 3.143 20 0 CGADHM CCc1ccc(C(=O)N2CCCC3(CCC3)C2)c([O-])c1 ZINC000436984043 372842817 /nfs/dbraw/zinc/84/28/17/372842817.db2.gz LNYHAKVCKGDJQI-UHFFFAOYSA-N -1 3 273.376 3.361 20 0 CGADHM C[C@H]1CCCCN1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000344730373 217291885 /nfs/dbraw/zinc/29/18/85/217291885.db2.gz FKDHOIJYBUNITR-LBPRGKRZSA-N -1 3 279.355 3.255 20 0 CGADHM CC(C)ON=C([O-])Nc1ccc(OC2CCCC2)cc1 ZINC000296263770 373072166 /nfs/dbraw/zinc/07/21/66/373072166.db2.gz HFEMQUOZZGYPBM-UHFFFAOYSA-N -1 3 278.352 3.470 20 0 CGADHM CC(C)O[N-]C(=O)Nc1ccc(OC2CCCC2)cc1 ZINC000296263770 373072173 /nfs/dbraw/zinc/07/21/73/373072173.db2.gz HFEMQUOZZGYPBM-UHFFFAOYSA-N -1 3 278.352 3.470 20 0 CGADHM CCC[C@]1(C)CCCN(C(=O)c2ccc3n[n-]nc3c2)C1 ZINC000173667595 373172788 /nfs/dbraw/zinc/17/27/88/373172788.db2.gz CRRYRRXIWPXLCB-MRXNPFEDSA-N -1 3 286.379 3.000 20 0 CGADHM Cc1cccc(C(=O)N2CCC[C@@H](C(C)C)C2)c1[O-] ZINC000444519424 373197360 /nfs/dbraw/zinc/19/73/60/373197360.db2.gz GUVPKBQRCFZICD-CYBMUJFWSA-N -1 3 261.365 3.209 20 0 CGADHM CC(C)[C@H]1C[C@@H](N=c2ncnc3[nH][n-]cc2-3)c2ccccc21 ZINC000447816533 373498663 /nfs/dbraw/zinc/49/86/63/373498663.db2.gz JQDXAFMHDABJLD-UKRRQHHQSA-N -1 3 293.374 3.023 20 0 CGADHM CC(C)N(Cc1nc(=O)c2sccc2[n-]1)C(C)C ZINC000299571703 373572577 /nfs/dbraw/zinc/57/25/77/373572577.db2.gz HHSCSBMHMRBQLH-UHFFFAOYSA-N -1 3 265.382 3.016 20 0 CGADHM C[C@@H]1CCCC[C@@H]1NC(=O)c1cc([O-])ccc1Cl ZINC000300110514 373620164 /nfs/dbraw/zinc/62/01/64/373620164.db2.gz KUNUYVAJHJHWCV-RNCFNFMXSA-N -1 3 267.756 3.354 20 0 CGADHM CCc1cc(=O)[n-]c(-c2ccc(NC(CC)CC)nc2)n1 ZINC000301194012 373689103 /nfs/dbraw/zinc/68/91/03/373689103.db2.gz XUXIOFHBKWFASI-UHFFFAOYSA-N -1 3 286.379 3.407 20 0 CGADHM c1cnc2ncnc([N-]c3nc4c(s3)CCCCC4)c2c1 ZINC000178865142 373812348 /nfs/dbraw/zinc/81/23/48/373812348.db2.gz KWUBETZRYMPGJF-UHFFFAOYSA-N -1 3 297.387 3.494 20 0 CGADHM CC(C)C[C@H]1OCCC[C@H]1[N-]c1nc(C(C)C)no1 ZINC000302514932 373885157 /nfs/dbraw/zinc/88/51/57/373885157.db2.gz XXIVLZOSNQZWQU-VXGBXAGGSA-N -1 3 267.373 3.199 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])c1cc2ccccc2[nH]1 ZINC000179647107 373897920 /nfs/dbraw/zinc/89/79/20/373897920.db2.gz SPYMFUAABQGAHR-UHFFFAOYSA-N -1 3 270.263 3.265 20 0 CGADHM CCC[C@@H](CC(C)C)C(=O)N=c1[nH][n-]c(CC)c1C ZINC000449851696 373944917 /nfs/dbraw/zinc/94/49/17/373944917.db2.gz RDTJJYUKIQKPRF-LBPRGKRZSA-N -1 3 265.401 3.103 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)CCCC(=O)C2CC2)c1[O-] ZINC000449886741 373958338 /nfs/dbraw/zinc/95/83/38/373958338.db2.gz HSWGAJHGWWTHHI-UHFFFAOYSA-N -1 3 295.766 3.442 20 0 CGADHM Cc1ccc(C(=O)NCc2ccc([O-])c(F)c2)c2c1CCC2 ZINC000449913647 373968486 /nfs/dbraw/zinc/96/84/86/373968486.db2.gz NXIZBBQHVREGMN-UHFFFAOYSA-N -1 3 299.345 3.258 20 0 CGADHM Cc1ccnc([C@@H]([N-]c2noc(C(C)(C)C)n2)C2CC2)n1 ZINC000302835327 373981501 /nfs/dbraw/zinc/98/15/01/373981501.db2.gz VCGFNPHTSFJWDK-NSHDSACASA-N -1 3 287.367 3.029 20 0 CGADHM Cc1scc(C(=O)Nc2ccc([O-])cc2F)c1C ZINC000180856122 374053329 /nfs/dbraw/zinc/05/33/29/374053329.db2.gz CRLYMHSHOZWUAH-UHFFFAOYSA-N -1 3 265.309 3.462 20 0 CGADHM C[C@@H]1C[C@@H]1c1ccc(/C=C\C(=O)[N-]OCC(F)(F)F)o1 ZINC000312150053 374269043 /nfs/dbraw/zinc/26/90/43/374269043.db2.gz GSLHXFOGYWKQIV-OCBRSHQWSA-N -1 3 289.253 3.026 20 0 CGADHM Cc1ccc(/C=C\C(=O)[N-]OCC(F)(F)F)cc1Cl ZINC000311251982 374236917 /nfs/dbraw/zinc/23/69/17/374236917.db2.gz YQRPBATUWXNLJC-PLNGDYQASA-N -1 3 293.672 3.272 20 0 CGADHM CCCC[C@H](NC(=O)c1cccc([O-])c1)C1CCC1 ZINC000182594300 374295598 /nfs/dbraw/zinc/29/55/98/374295598.db2.gz XOONBSGYOQFXPG-HNNXBMFYSA-N -1 3 261.365 3.481 20 0 CGADHM Cc1cccc(C(=O)N2C[C@@H](C)C[C@H]2c2cccnc2)c1[O-] ZINC000182790972 374327775 /nfs/dbraw/zinc/32/77/75/374327775.db2.gz KWPKDEALGKCHIZ-LRDDRELGSA-N -1 3 296.370 3.319 20 0 CGADHM CCc1cccc(C(=O)N2CCc3ccc(C)cc32)c1[O-] ZINC000081777088 541928111 /nfs/dbraw/zinc/92/81/11/541928111.db2.gz XIHNAPWPXQMBMU-UHFFFAOYSA-N -1 3 281.355 3.466 20 0 CGADHM COc1cc(C)sc1C(=O)Nc1ccc([O-])cc1F ZINC000183284778 374398238 /nfs/dbraw/zinc/39/82/38/374398238.db2.gz CXCIFQWBVCDWQJ-UHFFFAOYSA-N -1 3 281.308 3.162 20 0 CGADHM C[C@H]1C[C@@H]1c1ccc(CN2CCC(CCC(=O)[O-])CC2)o1 ZINC000086755826 541940644 /nfs/dbraw/zinc/94/06/44/541940644.db2.gz QLWJSUBNPXEVKZ-WFASDCNBSA-N -1 3 291.391 3.480 20 0 CGADHM C[C@H]1CN(C(=O)c2ccccc2[O-])[C@H]2CCCC[C@H]12 ZINC000183774711 374454302 /nfs/dbraw/zinc/45/43/02/374454302.db2.gz ZPQQARLNRCHFJN-SCRDCRAPSA-N -1 3 259.349 3.043 20 0 CGADHM Cc1ccc(C)c(C[S@](=O)c2cccc([O-])c2)c1 ZINC000184064625 374487564 /nfs/dbraw/zinc/48/75/64/374487564.db2.gz UQYNPMGWVIKUMJ-SFHVURJKSA-N -1 3 260.358 3.317 20 0 CGADHM O=C(c1cc([O-])ccc1Cl)N1C[C@@H](C2CC2)[C@H]1C1CC1 ZINC000456259480 374504266 /nfs/dbraw/zinc/50/42/66/374504266.db2.gz RKEPTBCQRRVUCX-DZGCQCFKSA-N -1 3 291.778 3.306 20 0 CGADHM CC(C)[C@H]1OCC[C@@H]1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000331212969 374514704 /nfs/dbraw/zinc/51/47/04/374514704.db2.gz KSQFTNJRVAJFME-GXFFZTMASA-N -1 3 283.755 3.045 20 0 CGADHM C[C@@H]1CC[C@@H](C)N(Cc2ccc(F)cc2C(=O)[O-])C1 ZINC000088712482 541951202 /nfs/dbraw/zinc/95/12/02/541951202.db2.gz GVHUJSSPWQEMJU-GHMZBOCLSA-N -1 3 265.328 3.144 20 0 CGADHM Cc1csc([C@H](C)NCc2cc([O-])cc(F)c2)n1 ZINC000184143080 374496775 /nfs/dbraw/zinc/49/67/75/374496775.db2.gz MVTHFGMGMBSXMQ-VIFPVBQESA-N -1 3 266.341 3.147 20 0 CGADHM O=c1[n-]c([C@H]2CCCCN2CCCC2CCCC2)n[nH]1 ZINC000331553777 374542942 /nfs/dbraw/zinc/54/29/42/374542942.db2.gz ZWUYOJDYXJGRGD-CYBMUJFWSA-N -1 3 278.400 3.008 20 0 CGADHM COc1ccc(NC(=O)C2CCCCCC2)c([O-])c1 ZINC000332281136 374564279 /nfs/dbraw/zinc/56/42/79/374564279.db2.gz GACUHBRNGKRTQA-UHFFFAOYSA-N -1 3 263.337 3.310 20 0 CGADHM CC[C@H]1CCCN(C(=O)c2ccc(C(C)=O)c([O-])c2)CC1 ZINC000332235713 374561736 /nfs/dbraw/zinc/56/17/36/374561736.db2.gz RADVVVAWPFRABQ-ZDUSSCGKSA-N -1 3 289.375 3.247 20 0 CGADHM CCc1cccc(C(=O)NCC(C)(C)c2ccncc2)c1[O-] ZINC000091862517 541970153 /nfs/dbraw/zinc/97/01/53/541970153.db2.gz OIOTYGYGVGZRCB-UHFFFAOYSA-N -1 3 298.386 3.057 20 0 CGADHM C[C@H](NC(=O)c1cc2c(cc1[O-])CCCC2)c1ccccn1 ZINC000332471572 374576498 /nfs/dbraw/zinc/57/64/98/374576498.db2.gz KHFDKAGZSBYMIL-LBPRGKRZSA-N -1 3 296.370 3.157 20 0 CGADHM COc1cc(C(=O)N2CC(C3CCCCC3)C2)ccc1[O-] ZINC000334216271 206204973 /nfs/dbraw/zinc/20/49/73/206204973.db2.gz CETVNEBUQYOSRI-UHFFFAOYSA-N -1 3 289.375 3.053 20 0 CGADHM Cc1ncoc1C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000334219999 206209279 /nfs/dbraw/zinc/20/92/79/206209279.db2.gz RBCZUDLBYVLMRW-UHFFFAOYSA-N -1 3 274.320 3.238 20 0 CGADHM CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)c1csc(=O)[n-]1 ZINC000332936440 374596945 /nfs/dbraw/zinc/59/69/45/374596945.db2.gz MPQUGCSXWJBBKV-VHSXEESVSA-N -1 3 282.409 3.183 20 0 CGADHM CC(=O)c1ccccc1C(=O)Nc1cc(C)ccc1[O-] ZINC000334239592 206240250 /nfs/dbraw/zinc/24/02/50/206240250.db2.gz UUVVQEYINIJPGF-UHFFFAOYSA-N -1 3 269.300 3.156 20 0 CGADHM Cc1cc([C@@H]2CCCN2Cc2c(F)ccc([O-])c2F)on1 ZINC000334393449 374711175 /nfs/dbraw/zinc/71/11/75/374711175.db2.gz BAZTUNCSCIQJSH-LBPRGKRZSA-N -1 3 294.301 3.304 20 0 CGADHM Cc1cccc(C(=O)N2CCC=C(c3ccncc3)C2)c1[O-] ZINC000334523762 374818426 /nfs/dbraw/zinc/81/84/26/374818426.db2.gz KCKWTZRFKALLPP-UHFFFAOYSA-N -1 3 294.354 3.025 20 0 CGADHM C[C@H]1CCC[C@H](CCSc2nc3nncc-3c(O)[n-]2)C1 ZINC000464772213 374896892 /nfs/dbraw/zinc/89/68/92/374896892.db2.gz GOKKFODIXBCNGJ-VHSXEESVSA-N -1 3 292.408 3.367 20 0 CGADHM C[C@H](c1ccncc1)N(C)Cc1cc([O-])cc(F)c1 ZINC000186416056 374846434 /nfs/dbraw/zinc/84/64/34/374846434.db2.gz VWCHDXPKLJZLTH-LLVKDONJSA-N -1 3 260.312 3.119 20 0 CGADHM C[C@@H](C(=O)Nc1ncccc1[O-])c1cn(C)c2ccccc12 ZINC000186822114 374923550 /nfs/dbraw/zinc/92/35/50/374923550.db2.gz HJTFCWJPHNGBLY-LLVKDONJSA-N -1 3 295.342 3.021 20 0 CGADHM C[C@@H](c1ccc(F)cc1)[S@@](=O)c1ccc([O-])cc1 ZINC000334255067 206265040 /nfs/dbraw/zinc/26/50/40/206265040.db2.gz LDZMEBFQVIHAKC-XTZNXHDOSA-N -1 3 264.321 3.400 20 0 CGADHM C[C@H](c1ccc(F)cc1)[S@@](=O)c1ccc([O-])cc1 ZINC000334255065 206265059 /nfs/dbraw/zinc/26/50/59/206265059.db2.gz LDZMEBFQVIHAKC-MLCYQJTMSA-N -1 3 264.321 3.400 20 0 CGADHM CC(=O)CC(C)(C)CC(=O)N1CCCc2cccc([O-])c21 ZINC000187834812 375104168 /nfs/dbraw/zinc/10/41/68/375104168.db2.gz NTRLNGPSJHQNAA-UHFFFAOYSA-N -1 3 289.375 3.067 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)[C@H]2CC[C@@H](C)C2)c1-c1ccccc1 ZINC000335086670 375119739 /nfs/dbraw/zinc/11/97/39/375119739.db2.gz PKJGPBJHKZJUCE-RISCZKNCSA-N -1 3 283.375 3.182 20 0 CGADHM C[C@@H]([N-]S(=O)(=O)c1ccco1)c1cc2ccccc2o1 ZINC000188573043 375234856 /nfs/dbraw/zinc/23/48/56/375234856.db2.gz XAZZDCCEIQFKMA-SNVBAGLBSA-N -1 3 291.328 3.065 20 0 CGADHM CCc1cc(C(=O)NCc2cccc3cc[nH]c32)ccc1[O-] ZINC000487433113 375241613 /nfs/dbraw/zinc/24/16/13/375241613.db2.gz ANHNKKYIWNVPLX-UHFFFAOYSA-N -1 3 294.354 3.366 20 0 CGADHM CCc1ccc(C(=O)Nc2ccc(C)nc2C)c([O-])c1 ZINC000188313759 375195710 /nfs/dbraw/zinc/19/57/10/375195710.db2.gz KCOKMNCUHDAZMI-UHFFFAOYSA-N -1 3 270.332 3.219 20 0 CGADHM CCc1cc(C(=O)N[C@H](C)CCC2CC2)ccc1[O-] ZINC000487184297 375206121 /nfs/dbraw/zinc/20/61/21/375206121.db2.gz GIOZCTYXSWCSMM-LLVKDONJSA-N -1 3 261.365 3.263 20 0 CGADHM Cc1csc([N-]C(=O)c2occc2Br)n1 ZINC000335212610 375232941 /nfs/dbraw/zinc/23/29/41/375232941.db2.gz NFNZXVGMNAIIGP-UHFFFAOYSA-N -1 3 287.138 3.059 20 0 CGADHM Cc1ccc(CN2CC[C@@H](C)[C@H](C(=O)[O-])C2)cc1Cl ZINC000335439788 375293378 /nfs/dbraw/zinc/29/33/78/375293378.db2.gz AMQOUSVUMRVZPJ-ZWNOBZJWSA-N -1 3 281.783 3.191 20 0 CGADHM CCc1cc(C(=O)Nc2cccc3c2CCO3)ccc1[O-] ZINC000487579900 375258619 /nfs/dbraw/zinc/25/86/19/375258619.db2.gz XKJSSRGDNIVNFG-UHFFFAOYSA-N -1 3 283.327 3.142 20 0 CGADHM CSCc1cccc(CNC(=O)c2cccc([O-])c2)c1 ZINC000189301917 375360800 /nfs/dbraw/zinc/36/08/00/375360800.db2.gz IJLPHHBGEXZAAM-UHFFFAOYSA-N -1 3 287.384 3.185 20 0 CGADHM CC(C)(C)c1nnsc1C(=O)[N-]c1ncccc1Cl ZINC000189901217 375457382 /nfs/dbraw/zinc/45/73/82/375457382.db2.gz SXHPPQFIYYSDLJ-UHFFFAOYSA-N -1 3 296.783 3.136 20 0 CGADHM O=C(Nc1ccccc1[O-])c1ccn(C2CCCCC2)n1 ZINC000335769616 375415331 /nfs/dbraw/zinc/41/53/31/375415331.db2.gz GTJURWXKSJNMPQ-UHFFFAOYSA-N -1 3 285.347 3.346 20 0 CGADHM O=C(Nc1cccc([O-])c1F)[C@H]1Cc2ccccc2S1 ZINC000335971390 375581758 /nfs/dbraw/zinc/58/17/58/375581758.db2.gz SIBQBLVCPGYUQB-CYBMUJFWSA-N -1 3 289.331 3.187 20 0 CGADHM CC(C)(C)n1cnc([N-]C(=O)c2cc(Cl)ccc2F)n1 ZINC000335991984 375600003 /nfs/dbraw/zinc/60/00/03/375600003.db2.gz KBYFAJJJDVYDKS-UHFFFAOYSA-N -1 3 296.733 3.078 20 0 CGADHM CC(C)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccccc2F)C1 ZINC000507538410 375713361 /nfs/dbraw/zinc/71/33/61/375713361.db2.gz WCCFZVFUUKSGKZ-STQMWFEESA-N -1 3 299.411 3.319 20 0 CGADHM COc1cc(C)ccc1NC(=O)c1ccc([O-])c(C)c1 ZINC000336157825 375735888 /nfs/dbraw/zinc/73/58/88/375735888.db2.gz RINNWGCPSXDWIC-UHFFFAOYSA-N -1 3 271.316 3.270 20 0 CGADHM Clc1ccsc1C[N-]c1nnc([C@@H]2CCCO2)o1 ZINC000192752048 375786747 /nfs/dbraw/zinc/78/67/47/375786747.db2.gz XXOZAAGLVYHOMQ-QMMMGPOBSA-N -1 3 285.756 3.248 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2cc(-c3ccccc3)on2)n1 ZINC000345919438 217749770 /nfs/dbraw/zinc/74/97/70/217749770.db2.gz BWFMWAMXVPUODK-UHFFFAOYSA-N -1 3 295.298 3.003 20 0 CGADHM Clc1csc(C[N-]c2nnc([C@@H]3CCCO3)o2)c1 ZINC000192751998 375786459 /nfs/dbraw/zinc/78/64/59/375786459.db2.gz RFKPEHATLWWHQI-VIFPVBQESA-N -1 3 285.756 3.248 20 0 CGADHM C[C@@H]1CCN(C(=O)c2cc([O-])ccc2C(F)(F)F)[C@H]1C ZINC000193440959 375878268 /nfs/dbraw/zinc/87/82/68/375878268.db2.gz RUKQCJRAPMNQKO-BDAKNGLRSA-N -1 3 287.281 3.282 20 0 CGADHM O=C(Nc1ccccc1[O-])c1ccoc1Br ZINC000193371385 375869487 /nfs/dbraw/zinc/86/94/87/375869487.db2.gz IVUCYCZQZZSJPI-UHFFFAOYSA-N -1 3 282.093 3.000 20 0 CGADHM Cc1cc(C)cc(OCC(=O)Nc2cccc([O-])c2F)c1 ZINC000534209305 375962539 /nfs/dbraw/zinc/96/25/39/375962539.db2.gz OYIUTSAGLUJAJD-UHFFFAOYSA-N -1 3 289.306 3.166 20 0 CGADHM Cc1ccoc1CN(C)C(=O)c1cc([O-])ccc1Cl ZINC000336819071 375974659 /nfs/dbraw/zinc/97/46/59/375974659.db2.gz YCXYLHDVSMDHGT-UHFFFAOYSA-N -1 3 279.723 3.219 20 0 CGADHM C[C@H](CCCNCc1ccc(Cl)cc1F)C(=O)[O-] ZINC000336792813 375941087 /nfs/dbraw/zinc/94/10/87/375941087.db2.gz UHINHMZAUDYRSH-SECBINFHSA-N -1 3 273.735 3.070 20 0 CGADHM O=C([N-][C@H](c1cccc(Cl)c1)c1ccccn1)C(F)F ZINC000194751099 376040790 /nfs/dbraw/zinc/04/07/90/376040790.db2.gz OHESVPSYMSGRMW-GFCCVEGCSA-N -1 3 296.704 3.206 20 0 CGADHM Cc1ccsc1CNCc1cc([O-])cc(F)c1 ZINC000223140451 376246390 /nfs/dbraw/zinc/24/63/90/376246390.db2.gz ZIRGYCOWEDXDHR-UHFFFAOYSA-N -1 3 251.326 3.191 20 0 CGADHM C[C@H](CC(=O)N1CCCc2cccc([O-])c21)n1cccc1 ZINC000539815801 376332686 /nfs/dbraw/zinc/33/26/86/376332686.db2.gz FXEJAQFGNKPXHZ-CYBMUJFWSA-N -1 3 284.359 3.124 20 0 CGADHM Cc1cc(C(=O)N[C@@H](C)Cc2cccs2)ccc1[O-] ZINC000226717637 376369030 /nfs/dbraw/zinc/36/90/30/376369030.db2.gz DECBPRYGVZSOEA-NSHDSACASA-N -1 3 275.373 3.123 20 0 CGADHM Cc1ccc(CNC(=O)c2ccc([O-])c(C)c2)s1 ZINC000226716705 376369414 /nfs/dbraw/zinc/36/94/14/376369414.db2.gz OYRLWVXAFNGHTR-UHFFFAOYSA-N -1 3 261.346 3.001 20 0 CGADHM CCN(C(=O)c1ccc([O-])c(C)c1)c1ccccc1 ZINC000226954449 376377961 /nfs/dbraw/zinc/37/79/61/376377961.db2.gz SXXQZVHEQNRINF-UHFFFAOYSA-N -1 3 255.317 3.367 20 0 CGADHM CCCn1c(SC[C@H](C)CC(C)C)n[n-]c1=O ZINC000540768883 376395736 /nfs/dbraw/zinc/39/57/36/376395736.db2.gz XCMMFIVNKHYWHG-SNVBAGLBSA-N -1 3 257.403 3.168 20 0 CGADHM CC[C@H](NCCCCC(=O)[O-])c1cc(F)ccc1F ZINC000263576018 190069672 /nfs/dbraw/zinc/06/96/72/190069672.db2.gz PWFDLCMJGICVST-ZDUSSCGKSA-N -1 3 271.307 3.260 20 0 CGADHM CCCc1nnc([N-]C(=O)c2cccc(F)c2F)s1 ZINC000263640406 190071753 /nfs/dbraw/zinc/07/17/53/190071753.db2.gz AKVIQGRXPJAYAF-UHFFFAOYSA-N -1 3 283.303 3.021 20 0 CGADHM CCCCCCNC(=O)c1cc([O-])ccc1Cl ZINC000232947221 376592971 /nfs/dbraw/zinc/59/29/71/376592971.db2.gz DMSZNSSKQKDWQY-UHFFFAOYSA-N -1 3 255.745 3.356 20 0 CGADHM O=C(CCc1ccccn1)Nc1ccc(Cl)cc1[O-] ZINC000339007432 376627401 /nfs/dbraw/zinc/62/74/01/376627401.db2.gz PXDQINIBIKYZEA-UHFFFAOYSA-N -1 3 276.723 3.012 20 0 CGADHM C[C@@H]1CCCN(Cc2cc(F)ccc2Cl)[C@@H]1C(=O)[O-] ZINC000235315838 376636447 /nfs/dbraw/zinc/63/64/47/376636447.db2.gz HYXORIFMIFFZGW-RNCFNFMXSA-N -1 3 285.746 3.164 20 0 CGADHM Cc1nc2cc(NC(=O)c3ccc([O-])c(C)c3)ccc2n1C ZINC000543712409 376669343 /nfs/dbraw/zinc/66/93/43/376669343.db2.gz KQWGHZIGNOTZFT-UHFFFAOYSA-N -1 3 295.342 3.148 20 0 CGADHM C[C@@H]1CCN(C(=O)c2cc([O-])ccc2Cl)[C@H](C)C1 ZINC000235353323 376639533 /nfs/dbraw/zinc/63/95/33/376639533.db2.gz QLSJPTNKLNJZHP-NXEZZACHSA-N -1 3 267.756 3.306 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2ccccc2OC(C)C)n1 ZINC000339114897 376687781 /nfs/dbraw/zinc/68/77/81/376687781.db2.gz IBGORQBTCYOZKZ-CMDGGOBGSA-N -1 3 270.332 3.448 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2cc(F)c(F)cc2F)n1 ZINC000339115931 376689178 /nfs/dbraw/zinc/68/91/78/376689178.db2.gz VEHNWGHSQBEFHZ-NSCUHMNNSA-N -1 3 266.222 3.078 20 0 CGADHM COc1ccc(NC(=O)[C@H](C)c2ccccc2)c([O-])c1 ZINC000135410118 542087322 /nfs/dbraw/zinc/08/73/22/542087322.db2.gz CTUUJZXCSMCDCZ-LLVKDONJSA-N -1 3 271.316 3.143 20 0 CGADHM CC(=O)[C@@H]1C[C@H](CC(=O)Nc2cccc([O-])c2F)C1(C)C ZINC000544811577 376762448 /nfs/dbraw/zinc/76/24/48/376762448.db2.gz FRTYJAYZBAKDRA-MNOVXSKESA-N -1 3 293.338 3.111 20 0 CGADHM CCCCO[C@H](C)c1nc(-c2ccc([O-])cc2)no1 ZINC000264632811 190124394 /nfs/dbraw/zinc/12/43/94/190124394.db2.gz OWGZRDUBBRHGKX-SNVBAGLBSA-N -1 3 262.309 3.320 20 0 CGADHM CCO[C@H](CC)c1noc(-c2cccc(C)c2[O-])n1 ZINC000157368363 542132980 /nfs/dbraw/zinc/13/29/80/542132980.db2.gz UMMJDFBLEHXFHZ-LLVKDONJSA-N -1 3 262.309 3.238 20 0 CGADHM O=C([N-]c1nnc(C2CC2)s1)c1sccc1Cl ZINC000556799182 376880667 /nfs/dbraw/zinc/88/06/67/376880667.db2.gz OOTLOVGVQCQCDI-UHFFFAOYSA-N -1 3 285.781 3.383 20 0 CGADHM C[C@H](C1CC1)N(C)C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000556931843 376907155 /nfs/dbraw/zinc/90/71/55/376907155.db2.gz LITHHIPCGFLXJN-LLVKDONJSA-N -1 3 273.376 3.142 20 0 CGADHM O=C(Nc1c([O-])cccc1Cl)c1cccc2c[nH]nc21 ZINC000557184363 376924383 /nfs/dbraw/zinc/92/43/83/376924383.db2.gz WLSNOLCBWVUQGI-UHFFFAOYSA-N -1 3 287.706 3.174 20 0 CGADHM O=C(Nc1c([O-])cccc1Cl)c1cccc2cn[nH]c21 ZINC000557184363 376924388 /nfs/dbraw/zinc/92/43/88/376924388.db2.gz WLSNOLCBWVUQGI-UHFFFAOYSA-N -1 3 287.706 3.174 20 0 CGADHM COc1cccc(C(=O)Nc2ccc(C3CCC3)cn2)c1[O-] ZINC000557944860 376967261 /nfs/dbraw/zinc/96/72/61/376967261.db2.gz YMYIDDRIYNHAIJ-UHFFFAOYSA-N -1 3 298.342 3.316 20 0 CGADHM CCCC[C@@H](C)c1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000558888427 377053123 /nfs/dbraw/zinc/05/31/23/377053123.db2.gz MFABAJYMMCGFFG-SECBINFHSA-N -1 3 271.324 3.302 20 0 CGADHM COC[C@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000340318983 377000763 /nfs/dbraw/zinc/00/07/63/377000763.db2.gz XSMGSMBNMVUECL-MRVPVSSYSA-N -1 3 291.269 3.022 20 0 CGADHM CC(=O)c1ccc(C(=O)Nc2cccc(C(C)=O)c2[O-])cc1 ZINC000560551735 377170602 /nfs/dbraw/zinc/17/06/02/377170602.db2.gz FUPUEWHGFOARMR-UHFFFAOYSA-N -1 3 297.310 3.050 20 0 CGADHM O=C([O-])C[C@@H]1CCCN(C/C=C/c2ccc(F)cc2F)C1 ZINC000560927633 377200576 /nfs/dbraw/zinc/20/05/76/377200576.db2.gz NUYOIGXEFUUOPM-KMOQFTEPSA-N -1 3 295.329 3.165 20 0 CGADHM CCC[C@@](C)(NCc1ccc(OC)cc1Cl)C(=O)[O-] ZINC000340670901 377202325 /nfs/dbraw/zinc/20/23/25/377202325.db2.gz FWSDBKSKYHFFNX-CQSZACIVSA-N -1 3 285.771 3.082 20 0 CGADHM C/C=C/c1ccc(NC(=O)c2cccc3nn[n-]c32)cc1 ZINC000562354950 377300198 /nfs/dbraw/zinc/30/01/98/377300198.db2.gz RBNSTLDZALBJEJ-DUXPYHPUSA-N -1 3 278.315 3.243 20 0 CGADHM CC=Cc1ccc(NC(=O)c2cccc3[n-]nnc32)cc1 ZINC000562354950 377300208 /nfs/dbraw/zinc/30/02/08/377300208.db2.gz RBNSTLDZALBJEJ-DUXPYHPUSA-N -1 3 278.315 3.243 20 0 CGADHM CC=Cc1ccc(NC(=O)c2cccc3n[n-]nc32)cc1 ZINC000562354950 377300214 /nfs/dbraw/zinc/30/02/14/377300214.db2.gz RBNSTLDZALBJEJ-DUXPYHPUSA-N -1 3 278.315 3.243 20 0 CGADHM CCc1cccc(C(=O)N2CC[C@H](C)C(F)(F)C2)c1[O-] ZINC000562373085 377303599 /nfs/dbraw/zinc/30/35/99/377303599.db2.gz DQDCIKDIOZPIAJ-JTQLQIEISA-N -1 3 283.318 3.072 20 0 CGADHM C[C@@H](C(=O)Nc1c([O-])cccc1Cl)C(F)(F)F ZINC000563397619 377457644 /nfs/dbraw/zinc/45/76/44/377457644.db2.gz KUOJTFYWZANGCE-YFKPBYRVSA-N -1 3 267.634 3.183 20 0 CGADHM Cc1nn(C(C)C)cc1-c1nc(-c2ccc([O-])cc2)no1 ZINC000563421410 377461879 /nfs/dbraw/zinc/46/18/79/377461879.db2.gz KUUOCWNGXDPYEK-UHFFFAOYSA-N -1 3 284.319 3.195 20 0 CGADHM CC[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccccc2F)C1 ZINC000085069148 249013631 /nfs/dbraw/zinc/01/36/31/249013631.db2.gz WEUWVKDFMWDTHL-NWDGAFQWSA-N -1 3 285.384 3.073 20 0 CGADHM C[C@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)C1CCCC1 ZINC000265090705 190157469 /nfs/dbraw/zinc/15/74/69/190157469.db2.gz UQHVMYUFQLGTKN-NSHDSACASA-N -1 3 284.359 3.249 20 0 CGADHM O=C([O-])[C@@H]1CCC[C@@H]1CNCc1c(F)cccc1Cl ZINC000089443200 249027921 /nfs/dbraw/zinc/02/79/21/249027921.db2.gz BDDIKBLZUYDJCP-NXEZZACHSA-N -1 3 285.746 3.070 20 0 CGADHM COc1ccc(F)cc1NC(=O)c1cc(C)ccc1[O-] ZINC000092872560 249036079 /nfs/dbraw/zinc/03/60/79/249036079.db2.gz AUASPGQXAJVXSO-UHFFFAOYSA-N -1 3 275.279 3.101 20 0 CGADHM COc1cccc(C(=O)N[C@H]2CCCCC2(C)C)c1[O-] ZINC000094330203 249041259 /nfs/dbraw/zinc/04/12/59/249041259.db2.gz FDJNISPHZPFHEB-ZDUSSCGKSA-N -1 3 277.364 3.099 20 0 CGADHM Cc1c(F)cccc1NCc1cc(=O)[n-]c(C2CC2)n1 ZINC000417031477 249124945 /nfs/dbraw/zinc/12/49/45/249124945.db2.gz XNCBJQBGJXOYBT-UHFFFAOYSA-N -1 3 273.311 3.119 20 0 CGADHM C[C@H]1C[C@H](C)N(Cc2cccc([O-])c2Br)C1 ZINC000315258203 249098495 /nfs/dbraw/zinc/09/84/95/249098495.db2.gz LNDWWMLYUAYZFM-UWVGGRQHSA-N -1 3 284.197 3.385 20 0 CGADHM O=C(Nc1ccc(C2CCC2)cc1)c1ccc2n[n-]nc2c1 ZINC000428044305 249130866 /nfs/dbraw/zinc/13/08/66/249130866.db2.gz KMEJVZIKKHZFNG-UHFFFAOYSA-N -1 3 292.342 3.478 20 0 CGADHM CO[C@@H]1CCCC[C@@H]1C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000490822836 249173899 /nfs/dbraw/zinc/17/38/99/249173899.db2.gz RXDMDBYYBSRSMA-WCQYABFASA-N -1 3 297.782 3.498 20 0 CGADHM Cc1ccc([O-])c(C(=O)NCCCc2cccc(F)c2)c1 ZINC000518337095 249278969 /nfs/dbraw/zinc/27/89/69/249278969.db2.gz YWBQEWMBXYFVTL-UHFFFAOYSA-N -1 3 287.334 3.202 20 0 CGADHM CCN(C(=O)c1cc(=O)c2ccccc2[n-]1)[C@@H](C)C(C)C ZINC000518393800 249280897 /nfs/dbraw/zinc/28/08/97/249280897.db2.gz JNBVVIZRFRZAHQ-LBPRGKRZSA-N -1 3 286.375 3.035 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)[C@@H](C)CC(F)F)c1-c1ccccc1 ZINC000517885879 249272958 /nfs/dbraw/zinc/27/29/58/249272958.db2.gz HPPNVAMIHJUEEY-VIFPVBQESA-N -1 3 293.317 3.037 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)[C@H](C)CC(F)F)c1-c1ccccc1 ZINC000517885878 249273052 /nfs/dbraw/zinc/27/30/52/249273052.db2.gz HPPNVAMIHJUEEY-SECBINFHSA-N -1 3 293.317 3.037 20 0 CGADHM Cc1cccc([O-])c1NC(=O)c1coc(Br)c1 ZINC000179544213 542201533 /nfs/dbraw/zinc/20/15/33/542201533.db2.gz BCBGOUYYWAVKLU-UHFFFAOYSA-N -1 3 296.120 3.308 20 0 CGADHM CC(C)[C@H](c1nc(-c2cc(=O)[n-]cn2)no1)c1ccccc1 ZINC000574082542 377617157 /nfs/dbraw/zinc/61/71/57/377617157.db2.gz QEKRFYNIMHLYIH-AWEZNQCLSA-N -1 3 296.330 3.020 20 0 CGADHM CCc1[n-][nH]c(=NC(=O)[C@H]2CCC[C@@H]2c2ccccc2)c1C ZINC000574010009 377607603 /nfs/dbraw/zinc/60/76/03/377607603.db2.gz ATJHAZPFKUVZJL-CABCVRRESA-N -1 3 297.402 3.225 20 0 CGADHM C[C@H]1CCN([C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)C1 ZINC000574458239 377665958 /nfs/dbraw/zinc/66/59/58/377665958.db2.gz BNSDAAMTNJPHNG-QPUJVOFHSA-N -1 3 288.174 3.461 20 0 CGADHM CCc1cc(C(=O)N2CCC[C@H]3CCC[C@H]32)ccc1[O-] ZINC000342752717 377773619 /nfs/dbraw/zinc/77/36/19/377773619.db2.gz LXHJNOKGHRUCAB-UKRRQHHQSA-N -1 3 273.376 3.359 20 0 CGADHM Cc1cc(C)cc(NC(=O)/C=C\c2cncc([O-])c2)c1 ZINC000255698931 377776000 /nfs/dbraw/zinc/77/60/00/377776000.db2.gz XFLBCDBJGTYHOJ-ARJAWSKDSA-N -1 3 268.316 3.056 20 0 CGADHM Cc1cccc(C(=O)N[C@@H](C)c2ccc(F)cc2F)c1[O-] ZINC000255951989 377788259 /nfs/dbraw/zinc/78/82/59/377788259.db2.gz LPCYEJFBFCRLCT-JTQLQIEISA-N -1 3 291.297 3.470 20 0 CGADHM C[C@H]1C[C@@H](C(=O)[O-])CN(Cc2cccc(C(F)F)c2)C1 ZINC000263103653 377919836 /nfs/dbraw/zinc/91/98/36/377919836.db2.gz BEISJYMUSAYWFA-GXFFZTMASA-N -1 3 283.318 3.167 20 0 CGADHM Cc1cc2cc(CN3CCC(C(=O)[O-])CC3)oc2cc1C ZINC000263413888 377934139 /nfs/dbraw/zinc/93/41/39/377934139.db2.gz MMKVPQBKJLBVOP-UHFFFAOYSA-N -1 3 287.359 3.346 20 0 CGADHM CCc1cccc(Cl)c1CN(C)C[C@H](C)C(=O)[O-] ZINC000263510290 377942718 /nfs/dbraw/zinc/94/27/18/377942718.db2.gz NEYFZZBOBUEWRD-JTQLQIEISA-N -1 3 269.772 3.055 20 0 CGADHM C[C@H]1CC[C@@H](C(=O)[O-])CN1Cc1ccccc1Cl ZINC000263510324 377943205 /nfs/dbraw/zinc/94/32/05/377943205.db2.gz NGJBIYNKHRROOE-CMPLNLGQSA-N -1 3 267.756 3.025 20 0 CGADHM CCOc1nc2cc(C(=O)NC[C@H]3CC=CCC3)ccc2[n-]1 ZINC000343272454 377943967 /nfs/dbraw/zinc/94/39/67/377943967.db2.gz UJSHURVKSFUTDT-LBPRGKRZSA-N -1 3 299.374 3.048 20 0 CGADHM CCOc1nc2ccc(C(=O)NC[C@H]3CC=CCC3)cc2[n-]1 ZINC000343272454 377943969 /nfs/dbraw/zinc/94/39/69/377943969.db2.gz UJSHURVKSFUTDT-LBPRGKRZSA-N -1 3 299.374 3.048 20 0 CGADHM O=C([O-])C1CN(Cc2ccc(-c3cccc(F)c3)s2)C1 ZINC000263529153 377944575 /nfs/dbraw/zinc/94/45/75/377944575.db2.gz VOEVAVBRLDEYSL-UHFFFAOYSA-N -1 3 291.347 3.071 20 0 CGADHM C[C@@H]1CC[C@H](C(=O)[O-])CN1Cc1ccc(Cl)s1 ZINC000263528428 377944664 /nfs/dbraw/zinc/94/46/64/377944664.db2.gz VEVAJODIVSNPKO-BDAKNGLRSA-N -1 3 273.785 3.087 20 0 CGADHM COc1ccc(Cl)c(CN(C[C@H](C)C(=O)[O-])C2CC2)c1 ZINC000577857714 378018317 /nfs/dbraw/zinc/01/83/17/378018317.db2.gz KHXQDHYPQNHBLF-JTQLQIEISA-N -1 3 297.782 3.034 20 0 CGADHM CC1(C)CCC[C@H](CNCc2nc(C(=O)[O-])cs2)C1 ZINC000578004510 378029655 /nfs/dbraw/zinc/02/96/55/378029655.db2.gz BPDDJBPBHGUBDH-JTQLQIEISA-N -1 3 282.409 3.147 20 0 CGADHM Cc1oc(CN2CC[C@@](C)(c3ccccc3)C2)cc1C(=O)[O-] ZINC000578019224 378030265 /nfs/dbraw/zinc/03/02/65/378030265.db2.gz OBEDYZNMANANTR-GOSISDBHSA-N -1 3 299.370 3.450 20 0 CGADHM Cc1oc(CN2CC[C@](C)(c3ccccc3)C2)cc1C(=O)[O-] ZINC000578019225 378030327 /nfs/dbraw/zinc/03/03/27/378030327.db2.gz OBEDYZNMANANTR-SFHVURJKSA-N -1 3 299.370 3.450 20 0 CGADHM O=c1cc(C=Cc2cccc3c2OCCO3)nc(C2CC2)[n-]1 ZINC000578216906 378047912 /nfs/dbraw/zinc/04/79/12/378047912.db2.gz DTZKEVRCFXXWJE-VOTSOKGWSA-N -1 3 296.326 3.001 20 0 CGADHM CCc1cccc(Cl)c1CN1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000578532171 378079116 /nfs/dbraw/zinc/07/91/16/378079116.db2.gz FCUAXUOROXGIPC-DGCLKSJQSA-N -1 3 295.810 3.445 20 0 CGADHM CC[C@H]1Cc2ccccc2CN1Cc1ccoc1C(=O)[O-] ZINC000579119572 378131718 /nfs/dbraw/zinc/13/17/18/378131718.db2.gz RMMXWLNBJZQYCN-HNNXBMFYSA-N -1 3 285.343 3.315 20 0 CGADHM CCCN(C(=O)c1ccc2[n-]c(OCC)nc2c1)C(C)C ZINC000578641738 378088723 /nfs/dbraw/zinc/08/87/23/378088723.db2.gz JRKCUIZTHBVSTN-UHFFFAOYSA-N -1 3 289.379 3.222 20 0 CGADHM CCCN(C(=O)c1ccc2nc(OCC)[n-]c2c1)C(C)C ZINC000578641738 378088733 /nfs/dbraw/zinc/08/87/33/378088733.db2.gz JRKCUIZTHBVSTN-UHFFFAOYSA-N -1 3 289.379 3.222 20 0 CGADHM Cc1cc(NC(=O)c2c[n-]nc2-c2ccncc2)ccc1F ZINC000343820411 378103947 /nfs/dbraw/zinc/10/39/47/378103947.db2.gz NUHUIHDAYPXIOT-UHFFFAOYSA-N -1 3 296.305 3.172 20 0 CGADHM Cc1cc(NC(=O)c2cn[n-]c2-c2ccncc2)ccc1F ZINC000343820411 378103954 /nfs/dbraw/zinc/10/39/54/378103954.db2.gz NUHUIHDAYPXIOT-UHFFFAOYSA-N -1 3 296.305 3.172 20 0 CGADHM CCc1cc(=O)[n-]c(CN([C@@H](C)[C@@H](C)CC)C2CC2)n1 ZINC000344357217 378167794 /nfs/dbraw/zinc/16/77/94/378167794.db2.gz UTSTWOVWIFFUQI-RYUDHWBXSA-N -1 3 277.412 3.144 20 0 CGADHM CN(C)c1cccc(C(=O)Nc2c([O-])cccc2Cl)c1 ZINC000580968767 378273065 /nfs/dbraw/zinc/27/30/65/378273065.db2.gz IHLNABGZKNFSSW-UHFFFAOYSA-N -1 3 290.750 3.364 20 0 CGADHM CC(=O)c1cccc(O[C@H](C)C(=O)Nc2ccccc2[O-])c1 ZINC000345433091 378282389 /nfs/dbraw/zinc/28/23/89/378282389.db2.gz JXZUZNVZPKBVPW-GFCCVEGCSA-N -1 3 299.326 3.001 20 0 CGADHM C[C@@H](NC(=O)Cc1cncc([O-])c1)c1ccc(C2CC2)cc1 ZINC000580346257 378243159 /nfs/dbraw/zinc/24/31/59/378243159.db2.gz ZVEGHJDDHKPRKJ-GFCCVEGCSA-N -1 3 296.370 3.085 20 0 CGADHM O=C(Nc1ncccc1[O-])c1occc1-c1ccccc1 ZINC000345527382 378304527 /nfs/dbraw/zinc/30/45/27/378304527.db2.gz AGGZPMWFZZQFFW-UHFFFAOYSA-N -1 3 280.283 3.300 20 0 CGADHM Cc1ccccc1-c1cc(=NC(=O)[C@@H]2CC[C@H](C)C2)[nH][n-]1 ZINC000345587472 378317952 /nfs/dbraw/zinc/31/79/52/378317952.db2.gz GVOHZUXIGIUESP-WCQYABFASA-N -1 3 283.375 3.182 20 0 CGADHM C[C@H]1C[C@@H](c2ccccc2)CN1c1ccncc1C(=O)[O-] ZINC000583755171 378343877 /nfs/dbraw/zinc/34/38/77/378343877.db2.gz GVXJPUWITCCPBZ-GXTWGEPZSA-N -1 3 282.343 3.162 20 0 CGADHM Cc1ccc(C(=O)N[C@H]2CCO[C@@H](C(C)(C)C)C2)c([O-])c1 ZINC000270719511 378393531 /nfs/dbraw/zinc/39/35/31/378393531.db2.gz DERRZTOCJNSWQV-SWLSCSKDSA-N -1 3 291.391 3.024 20 0 CGADHM Cc1ccc([O-])c(NC(=O)[C@@H](C)Cc2ccccc2F)n1 ZINC000345919373 378407864 /nfs/dbraw/zinc/40/78/64/378407864.db2.gz BLBXHQPUMOKHJZ-JTQLQIEISA-N -1 3 288.322 3.052 20 0 CGADHM CCCO[C@@H]1CCCN(Cc2cc(C(=O)[O-])oc2C)CC1 ZINC000584416231 378382441 /nfs/dbraw/zinc/38/24/41/378382441.db2.gz SPAHFKKSMHMIPA-CQSZACIVSA-N -1 3 295.379 3.067 20 0 CGADHM Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)c1ccc([O-])c(C)c1 ZINC000272560375 378665021 /nfs/dbraw/zinc/66/50/21/378665021.db2.gz BVBJODLLKSODCO-AWEZNQCLSA-N -1 3 299.374 3.018 20 0 CGADHM CCOCc1ccccc1CNC(=O)c1ccc([O-])c(C)c1 ZINC000272556053 378665134 /nfs/dbraw/zinc/66/51/34/378665134.db2.gz IVTNHJLMIFLDMY-UHFFFAOYSA-N -1 3 299.370 3.167 20 0 CGADHM COc1cc(C(=O)N2C[C@H](C)[C@H]2c2ccccc2)ccc1[O-] ZINC000272627724 378679485 /nfs/dbraw/zinc/67/94/85/378679485.db2.gz TXBWCNBUGGRDBZ-SJCJKPOMSA-N -1 3 297.354 3.234 20 0 CGADHM Cc1ccc2[n-]cc(C(=O)N3C[C@@H]4CCC[C@@H]4C3)c(=O)c2c1 ZINC000273194870 378737468 /nfs/dbraw/zinc/73/74/68/378737468.db2.gz IRYLWROJRDAGNT-BETUJISGSA-N -1 3 296.370 3.121 20 0 CGADHM Cc1cc(=O)[nH]c2cc(C(=O)Nc3ccccc3[O-])ccc12 ZINC000347927594 378731462 /nfs/dbraw/zinc/73/14/62/378731462.db2.gz HYVOPIFKVHCSIW-UHFFFAOYSA-N -1 3 294.310 3.207 20 0 CGADHM C[C@H](OCC1CC1)C(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000186292444 542242537 /nfs/dbraw/zinc/24/25/37/542242537.db2.gz UNKSYSPITSZZQZ-NEPJUHHUSA-N -1 3 289.375 3.048 20 0 CGADHM Cc1ncc(CN[C@@H](CC(C)C)c2ccccc2)c(=O)[n-]1 ZINC000346796777 218016867 /nfs/dbraw/zinc/01/68/67/218016867.db2.gz NZOHUIJAKIIPDI-INIZCTEOSA-N -1 3 285.391 3.368 20 0 CGADHM CCC[C@H](C)[C@@H]1CCCN1C(=O)c1ccc([O-])c(OC)c1 ZINC000276976663 379035490 /nfs/dbraw/zinc/03/54/90/379035490.db2.gz VDYKQGVLRPRQFC-JSGCOSHPSA-N -1 3 291.391 3.442 20 0 CGADHM CCC[C@@H](C)[C@@H]1CCCN1C(=O)c1ccc([O-])c(OC)c1 ZINC000276976668 379035624 /nfs/dbraw/zinc/03/56/24/379035624.db2.gz VDYKQGVLRPRQFC-OCCSQVGLSA-N -1 3 291.391 3.442 20 0 CGADHM COc1ccc2c(c1)[C@@H](C(=O)Nc1ccc(C)cc1[O-])CC2 ZINC000277459801 379164125 /nfs/dbraw/zinc/16/41/25/379164125.db2.gz RVAAHKBWRUNVRY-AWEZNQCLSA-N -1 3 297.354 3.378 20 0 CGADHM C[C@H](CCCC(=O)[O-])NCc1ccc(Cl)cc1F ZINC000277344908 379137430 /nfs/dbraw/zinc/13/74/30/379137430.db2.gz OZTQPLKPRRONNC-SECBINFHSA-N -1 3 273.735 3.212 20 0 CGADHM CCOc1cc(F)ccc1NC([O-])=NOC/C=C/Cl ZINC000289449300 197353080 /nfs/dbraw/zinc/35/30/80/197353080.db2.gz BKEPHEFYMTYULK-ZZXKWVIFSA-N -1 3 288.706 3.030 20 0 CGADHM CCOc1cc(F)ccc1NC(=O)[N-]OC/C=C/Cl ZINC000289449300 197353082 /nfs/dbraw/zinc/35/30/82/197353082.db2.gz BKEPHEFYMTYULK-ZZXKWVIFSA-N -1 3 288.706 3.030 20 0 CGADHM CCOc1cc(-c2noc(C3CCCC3)n2)ccc1[O-] ZINC000278052769 379286669 /nfs/dbraw/zinc/28/66/69/379286669.db2.gz LKYHXYQIPSPKTF-UHFFFAOYSA-N -1 3 274.320 3.499 20 0 CGADHM [O-]c1cc(F)cc(CN2CCC[C@@H]2c2nccs2)c1 ZINC000373489587 379287875 /nfs/dbraw/zinc/28/78/75/379287875.db2.gz MDPXWSRTRQXOEI-CYBMUJFWSA-N -1 3 278.352 3.325 20 0 CGADHM CC(C)[C@@H]1OCC[C@H]1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000277834482 379247528 /nfs/dbraw/zinc/24/75/28/379247528.db2.gz YBKAEDREPKPQBI-MFKMUULPSA-N -1 3 283.755 3.045 20 0 CGADHM O=C([N-]C1(c2ccc(Cl)cc2)CCC1)C(F)F ZINC000278438234 379387229 /nfs/dbraw/zinc/38/72/29/379387229.db2.gz LDMQKFWFMXYHKF-UHFFFAOYSA-N -1 3 259.683 3.101 20 0 CGADHM CO[C@H](C)c1cccc(NC(=O)c2cc(C(F)F)[n-]n2)c1 ZINC000639653501 379529508 /nfs/dbraw/zinc/52/95/08/379529508.db2.gz CFOQUQBWXDOORG-MRVPVSSYSA-N -1 3 295.289 3.307 20 0 CGADHM CSCCO[N-]C(=O)Cc1coc2c1ccc(C)c2C ZINC000280055066 379592348 /nfs/dbraw/zinc/59/23/48/379592348.db2.gz QGAJGWPBXXNFBX-UHFFFAOYSA-N -1 3 293.388 3.003 20 0 CGADHM Cc1ccc(-c2nc(-c3ccc(C)nc3)no2)c([O-])c1 ZINC000350567226 379562223 /nfs/dbraw/zinc/56/22/23/379562223.db2.gz GSQUDQDPGHQNQT-UHFFFAOYSA-N -1 3 267.288 3.121 20 0 CGADHM Cc1ccc(-c2nc(Cc3ccc(C)nc3)no2)c([O-])c1 ZINC000350568800 379562874 /nfs/dbraw/zinc/56/28/74/379562874.db2.gz KEWCKOCOZVRUAA-UHFFFAOYSA-N -1 3 281.315 3.045 20 0 CGADHM [O-]c1cccc(/C=C/c2nc(-c3cccnc3)no2)c1 ZINC000350569207 379562988 /nfs/dbraw/zinc/56/29/88/379562988.db2.gz SCNQAURHGUICTG-VOTSOKGWSA-N -1 3 265.272 3.008 20 0 CGADHM C[C@H]([N-]C(=O)C(F)F)c1cc(Cl)ccc1Cl ZINC000280159983 379624562 /nfs/dbraw/zinc/62/45/62/379624562.db2.gz ICGNGIYWLLTGLI-YFKPBYRVSA-N -1 3 268.090 3.436 20 0 CGADHM Cc1ccc(-c2cc(-c3nc(C4(C)CC4)no3)n[n-]2)o1 ZINC000351172194 379669684 /nfs/dbraw/zinc/66/96/84/379669684.db2.gz IEIJBESPJFLDBY-UHFFFAOYSA-N -1 3 270.292 3.080 20 0 CGADHM Cc1ccc(-c2cc(-c3nc(C4(C)CC4)no3)[n-]n2)o1 ZINC000351172194 379669690 /nfs/dbraw/zinc/66/96/90/379669690.db2.gz IEIJBESPJFLDBY-UHFFFAOYSA-N -1 3 270.292 3.080 20 0 CGADHM [O-]c1ccc(F)c(CNCCc2cccc(F)c2F)c1F ZINC000352500127 379838405 /nfs/dbraw/zinc/83/84/05/379838405.db2.gz NHPSAKGJCZNTET-UHFFFAOYSA-N -1 3 299.267 3.281 20 0 CGADHM CC[C@H](C(=O)NCc1ncccc1[O-])C1CCC(C)CC1 ZINC000352517567 379841819 /nfs/dbraw/zinc/84/18/19/379841819.db2.gz QSPYCRFICLECKA-RUXDESIVSA-N -1 3 290.407 3.256 20 0 CGADHM CC(C)Oc1ccc(NCc2c(F)ccc([O-])c2F)cn1 ZINC000352693919 379912134 /nfs/dbraw/zinc/91/21/34/379912134.db2.gz ROHJOYUJGQXIET-UHFFFAOYSA-N -1 3 294.301 3.465 20 0 CGADHM CC(C)[C@H]1OCCC[C@H]1CNCc1c(F)ccc([O-])c1F ZINC000352643607 379888969 /nfs/dbraw/zinc/88/89/69/379888969.db2.gz NAAXWCGSJJICKH-MEDUHNTESA-N -1 3 299.361 3.211 20 0 CGADHM C[C@H](OCc1ccccc1)C(=O)Nc1ccc([O-])cc1F ZINC000347856299 218379302 /nfs/dbraw/zinc/37/93/02/218379302.db2.gz CSSPNUOFYMGMSK-NSHDSACASA-N -1 3 289.306 3.075 20 0 CGADHM O=C(CCCC1CCOCC1)Nc1cc(F)ccc1[O-] ZINC000282746367 379981580 /nfs/dbraw/zinc/98/15/80/379981580.db2.gz NGPXONZCPZMZGR-UHFFFAOYSA-N -1 3 281.327 3.067 20 0 CGADHM COc1ccc([O-])c(C(=O)N(C)C[C@@H](C)C(C)(C)C)c1 ZINC000399676700 379943134 /nfs/dbraw/zinc/94/31/34/379943134.db2.gz WNEVRCDCXKQGEO-LLVKDONJSA-N -1 3 279.380 3.155 20 0 CGADHM CC[C@@H](C)C[C@H](C)[N-]S(=O)(=O)c1ccc(C)cc1F ZINC000404858618 379984649 /nfs/dbraw/zinc/98/46/49/379984649.db2.gz BMEPUYUITRMRNJ-PWSUYJOCSA-N -1 3 287.400 3.237 20 0 CGADHM O=C([O-])C[C@H]1CCCCN1Cc1nsc2ccccc21 ZINC000641793740 380107886 /nfs/dbraw/zinc/10/78/86/380107886.db2.gz FWRYSAZNUGOXRD-LLVKDONJSA-N -1 3 290.388 3.126 20 0 CGADHM CC1(C)CCC[C@@](O)(CNCc2c(F)ccc([O-])c2F)C1 ZINC000353091026 380111256 /nfs/dbraw/zinc/11/12/56/380111256.db2.gz BIVIJWZYIBPWGU-INIZCTEOSA-N -1 3 299.361 3.091 20 0 CGADHM Cc1cc(C(=O)[N-]c2cc(Cl)cc3cccnc32)on1 ZINC000641895444 380120754 /nfs/dbraw/zinc/12/07/54/380120754.db2.gz MUYFZAKKMNYJCZ-UHFFFAOYSA-N -1 3 287.706 3.437 20 0 CGADHM C[C@H](O)[C@@H]1C[C@H](C)CCN1Cc1cccc([O-])c1Cl ZINC000353114917 380121874 /nfs/dbraw/zinc/12/18/74/380121874.db2.gz CXJNCHJJNUOQOR-MDZLAQPJSA-N -1 3 283.799 3.027 20 0 CGADHM C[C@@H]1CCN(Cc2cccc([O-])c2Cl)CCS1 ZINC000353202355 380166022 /nfs/dbraw/zinc/16/60/22/380166022.db2.gz PBTYNJWSYYPIRO-SNVBAGLBSA-N -1 3 271.813 3.373 20 0 CGADHM Cc1cscc1CNCc1c(F)ccc([O-])c1F ZINC000353234383 380180007 /nfs/dbraw/zinc/18/00/07/380180007.db2.gz OOCSSKRXMFYYHS-UHFFFAOYSA-N -1 3 269.316 3.330 20 0 CGADHM CCC[C@@]1(CO)CCCN1Cc1cccc([O-])c1Cl ZINC000353238387 380181740 /nfs/dbraw/zinc/18/17/40/380181740.db2.gz VTAFJLGMDGDZSK-HNNXBMFYSA-N -1 3 283.799 3.173 20 0 CGADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@H]3CC3(C)C)nc2)n1 ZINC000354079398 380312071 /nfs/dbraw/zinc/31/20/71/380312071.db2.gz GWOKTVFIQKCINI-GFCCVEGCSA-N -1 3 298.390 3.265 20 0 CGADHM O=C([O-])CCCCNCc1ccc(-c2ccccc2)o1 ZINC000414671506 380364276 /nfs/dbraw/zinc/36/42/76/380364276.db2.gz BCAIOTLDZNVHIM-UHFFFAOYSA-N -1 3 273.332 3.291 20 0 CGADHM CC(C)(C)CC[C@H](NCc1ccc(Cl)o1)C(=O)[O-] ZINC000414666074 380360786 /nfs/dbraw/zinc/36/07/86/380360786.db2.gz VBAPSTJABXSUHG-JTQLQIEISA-N -1 3 273.760 3.302 20 0 CGADHM CCc1cc(C(=O)NC(C)(C)CC(F)(F)F)ccc1[O-] ZINC000644077234 380413994 /nfs/dbraw/zinc/41/39/94/380413994.db2.gz SHLYKMQJJFKGCB-UHFFFAOYSA-N -1 3 289.297 3.415 20 0 CGADHM CC1(C)CC(C(=O)Nc2ccc(Cl)cc2[O-])C1 ZINC000354508350 380463236 /nfs/dbraw/zinc/46/32/36/380463236.db2.gz WXMUKAGJSBSNHB-UHFFFAOYSA-N -1 3 253.729 3.420 20 0 CGADHM CCOc1c(Cl)cccc1CNC[C@H](C(=O)[O-])C(C)C ZINC000417534495 380632291 /nfs/dbraw/zinc/63/22/91/380632291.db2.gz OKZATSHHTZIJQK-LBPRGKRZSA-N -1 3 299.798 3.185 20 0 CGADHM CCCc1csc(CN[C@H](CC(=O)[O-])C(C)(C)C)n1 ZINC000417557999 380638265 /nfs/dbraw/zinc/63/82/65/380638265.db2.gz DFPKHNXJWIFWLN-LLVKDONJSA-N -1 3 284.425 3.075 20 0 CGADHM C[C@@H](NCc1csc(Cl)c1Cl)[C@@H](C)C(=O)[O-] ZINC000417606231 380648708 /nfs/dbraw/zinc/64/87/08/380648708.db2.gz JQKJVQVHKPYJAB-PHDIDXHHSA-N -1 3 282.192 3.254 20 0 CGADHM COc1cccc(Cl)c1CN[C@@H](CC1CCC1)C(=O)[O-] ZINC000417701007 380669020 /nfs/dbraw/zinc/66/90/20/380669020.db2.gz JHTSKBDJDMOTCX-ZDUSSCGKSA-N -1 3 297.782 3.082 20 0 CGADHM O=C(Nc1ncccc1[O-])C1CC(c2ccc(F)cc2)C1 ZINC000645973952 380788049 /nfs/dbraw/zinc/78/80/49/380788049.db2.gz CKCOJYBORUJRJB-UHFFFAOYSA-N -1 3 286.306 3.059 20 0 CGADHM CC(C)(C)[C@H]([N-]C(=O)C(F)F)c1ccc(F)cc1F ZINC000279286313 194369432 /nfs/dbraw/zinc/36/94/32/194369432.db2.gz YGRVTAUFFIVOJO-SNVBAGLBSA-N -1 3 277.261 3.433 20 0 CGADHM C[C@@H]1C[C@H](C)[C@H](C)N(C(=O)c2c[n-]c3ccccc3c2=O)C1 ZINC000357012563 380988324 /nfs/dbraw/zinc/98/83/24/380988324.db2.gz KHRWNBUUQWRRIZ-AGIUHOORSA-N -1 3 298.386 3.035 20 0 CGADHM CCC[C@@](C)(CC)C(=O)Nc1nc(C)ccc1[O-] ZINC000357160212 381046701 /nfs/dbraw/zinc/04/67/01/381046701.db2.gz OCKCUXFKPIKCBW-CQSZACIVSA-N -1 3 250.342 3.251 20 0 CGADHM C[C@H]1CC(C)(C)CC[C@H]1NC(=O)c1cccc([O-])c1 ZINC000357301688 381097396 /nfs/dbraw/zinc/09/73/96/381097396.db2.gz GCHVZGRLYQLQSR-SMDDNHRTSA-N -1 3 261.365 3.337 20 0 CGADHM C[C@H](NC(=O)c1cccc([O-])c1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000357302427 381097756 /nfs/dbraw/zinc/09/77/56/381097756.db2.gz JRAJNSPNMLBNAT-NVGCLXPQSA-N -1 3 297.354 3.075 20 0 CGADHM C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)c1cccc([O-])c1 ZINC000357301684 381097820 /nfs/dbraw/zinc/09/78/20/381097820.db2.gz GCHVZGRLYQLQSR-FZMZJTMJSA-N -1 3 261.365 3.337 20 0 CGADHM O=C(N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)c1cccc([O-])c1 ZINC000357377207 381133565 /nfs/dbraw/zinc/13/35/65/381133565.db2.gz ROFWONMPXFLMDU-OUCADQQQSA-N -1 3 259.349 3.091 20 0 CGADHM Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(F)cc2)c([O-])c1 ZINC000198583737 542282761 /nfs/dbraw/zinc/28/27/61/542282761.db2.gz LNIQNDHSJFELMN-LLVKDONJSA-N -1 3 289.306 3.246 20 0 CGADHM c1coc(-c2cc(-c3nc(CCC4CC4)no3)n[n-]2)c1 ZINC000357674624 381244820 /nfs/dbraw/zinc/24/48/20/381244820.db2.gz LQUGPTIUTVHOLM-UHFFFAOYSA-N -1 3 270.292 3.062 20 0 CGADHM c1coc(-c2cc(-c3nc(CCC4CC4)no3)[n-]n2)c1 ZINC000357674624 381244831 /nfs/dbraw/zinc/24/48/31/381244831.db2.gz LQUGPTIUTVHOLM-UHFFFAOYSA-N -1 3 270.292 3.062 20 0 CGADHM C[C@H]1CCCN([C@H](C(=O)[O-])c2c(F)cccc2Cl)C1 ZINC000212261571 542284544 /nfs/dbraw/zinc/28/45/44/542284544.db2.gz IFPFKLVLOLLATI-ZANVPECISA-N -1 3 285.746 3.337 20 0 CGADHM Cc1ccc([O-])c(NC(=O)[C@@H](C)CC(C)(C)C)n1 ZINC000361613410 381840576 /nfs/dbraw/zinc/84/05/76/381840576.db2.gz XQUPLJBOBZUYPS-VIFPVBQESA-N -1 3 250.342 3.106 20 0 CGADHM O=C([O-])c1ccc2c(c1)CN(CCCc1ccccc1)C2 ZINC000227385150 542293384 /nfs/dbraw/zinc/29/33/84/542293384.db2.gz UNAJMQWNYAYDDJ-UHFFFAOYSA-N -1 3 281.355 3.333 20 0 CGADHM C[C@H]1CCCC[C@H]1OCc1nc2ccc([O-])cc2c(=O)[nH]1 ZINC000272272998 542366717 /nfs/dbraw/zinc/36/67/17/542366717.db2.gz YQBOJZRMOSBGFG-IINYFYTJSA-N -1 3 288.347 3.136 20 0 CGADHM CCOC1CC(C(=O)Nc2cc(Cl)cc(C)c2[O-])C1 ZINC000353800084 220336870 /nfs/dbraw/zinc/33/68/70/220336870.db2.gz FIDLJTQLZSDOJR-UHFFFAOYSA-N -1 3 283.755 3.108 20 0 CGADHM CO[C@H]1CN(C(=O)c2cc([O-])c3ccccc3c2)CC[C@@H]1C ZINC000281261314 542383391 /nfs/dbraw/zinc/38/33/91/542383391.db2.gz QROWQTPPFGLMDP-SJCJKPOMSA-N -1 3 299.370 3.042 20 0 CGADHM O=[S@](Cc1cc(-c2ccccc2)no1)c1cccc([O-])c1 ZINC000350562388 219036073 /nfs/dbraw/zinc/03/60/73/219036073.db2.gz ZNAYPHFFIWJVLT-OAQYLSRUSA-N -1 3 299.351 3.355 20 0 CGADHM CC(C)C[C@H](C)CN1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000312165628 542432842 /nfs/dbraw/zinc/43/28/42/542432842.db2.gz CEHWVGNRQZKDKL-XJKSGUPXSA-N -1 3 275.392 3.353 20 0 CGADHM CO[C@H](CNC(=O)c1ccc(C)c(C)c1[O-])c1ccccc1 ZINC000436757833 533185387 /nfs/dbraw/zinc/18/53/87/533185387.db2.gz XNRKOCNWKOMVNR-MRXNPFEDSA-N -1 3 299.370 3.127 20 0 CGADHM [O-]c1ccc(Cc2nc([C@H]3CCCS3)no2)cc1F ZINC000334666768 542459574 /nfs/dbraw/zinc/45/95/74/542459574.db2.gz ICMOSMHHCLPKEV-LLVKDONJSA-N -1 3 280.324 3.073 20 0 CGADHM CO[C@@H]1CCN(C(=O)c2cc([O-])c3ccccc3c2)C[C@@H]1C ZINC000334905959 542462654 /nfs/dbraw/zinc/46/26/54/542462654.db2.gz JKEVPHIKOOBXPK-YVEFUNNKSA-N -1 3 299.370 3.042 20 0 CGADHM CN(CC1CCC1)C(=O)c1cc([O-])c2ccccc2c1 ZINC000349692353 542526198 /nfs/dbraw/zinc/52/61/98/542526198.db2.gz KOGAYWCSXWXHFQ-UHFFFAOYSA-N -1 3 269.344 3.418 20 0 CGADHM Cc1ccc(C)c(Cc2nc3ccc([O-])cc3c(=O)[nH]2)c1 ZINC000352312366 542553388 /nfs/dbraw/zinc/55/33/88/542553388.db2.gz GBBYQWUBWOTOAZ-UHFFFAOYSA-N -1 3 280.327 3.249 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2C[C@H](C)C[C@H](C)C2)c1 ZINC000522778638 262341216 /nfs/dbraw/zinc/34/12/16/262341216.db2.gz LPVLCMXBERFUNM-TXEJJXNPSA-N -1 3 261.365 3.073 20 0 CGADHM Cc1noc(C)c1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000354002498 542561610 /nfs/dbraw/zinc/56/16/10/542561610.db2.gz NYGXXWMFIUDOLW-UHFFFAOYSA-N -1 3 282.299 3.403 20 0 CGADHM O=c1nc(-c2ccncn2)[n-]c2sc3ccccc3c21 ZINC000345372628 285399349 /nfs/dbraw/zinc/39/93/49/285399349.db2.gz QMHJNZZIMDYCNC-UHFFFAOYSA-N -1 3 280.312 3.007 20 0 CGADHM COc1cccc(C(=O)NC(C)(C)c2cccs2)c1[O-] ZINC000436823093 533404727 /nfs/dbraw/zinc/40/47/27/533404727.db2.gz ZAYJOCGNHRZSBB-UHFFFAOYSA-N -1 3 291.372 3.127 20 0 CGADHM COc1cccc(C(=O)NCC[C@H]2CCCC[C@@H]2C)c1[O-] ZINC000436643739 533408461 /nfs/dbraw/zinc/40/84/61/533408461.db2.gz FYGSIPJQXVHZHC-QWHCGFSZSA-N -1 3 291.391 3.347 20 0 CGADHM COc1cccc(C(=O)N[C@H]2C[C@H]2C2CCCCC2)c1[O-] ZINC000436918697 533418900 /nfs/dbraw/zinc/41/89/00/533418900.db2.gz IIDKOBAYKAXBCL-KBPBESRZSA-N -1 3 289.375 3.099 20 0 CGADHM Cc1ccc(C(=O)Nc2ccnn2C(C)C)c([O-])c1C ZINC000436753612 533619019 /nfs/dbraw/zinc/61/90/19/533619019.db2.gz FAPYZPXVPJUYBW-UHFFFAOYSA-N -1 3 273.336 3.039 20 0 CGADHM Cc1ccc(C(=O)Nc2cccc3[nH]c(=O)oc32)c([O-])c1C ZINC000436928461 533613928 /nfs/dbraw/zinc/61/39/28/533613928.db2.gz BHEKIGDSVGQPAO-UHFFFAOYSA-N -1 3 298.298 3.108 20 0 CGADHM Cc1ccc(C(C)(C)NC(=O)c2ccc(C)c(C)c2[O-])cn1 ZINC000436958971 533631975 /nfs/dbraw/zinc/63/19/75/533631975.db2.gz KSQHWWRVLYMLKV-UHFFFAOYSA-N -1 3 298.386 3.378 20 0 CGADHM CC1(C)CCC[C@@H](c2nc3cccnc3c(=O)[n-]2)C1 ZINC000416412390 542643513 /nfs/dbraw/zinc/64/35/13/542643513.db2.gz MYSNNLUPTITXJS-SNVBAGLBSA-N -1 3 257.337 3.414 20 0 CGADHM COc1cccc(C(=O)Nc2ccc(Cl)c(F)c2)c1[O-] ZINC000048194317 391994691 /nfs/dbraw/zinc/99/46/91/391994691.db2.gz IQLRRECCLOAXEJ-UHFFFAOYSA-N -1 3 295.697 3.446 20 0 CGADHM COc1cccc(C(=O)N(C)[C@@H]2CCCC[C@H]2C)c1[O-] ZINC000055482074 392098831 /nfs/dbraw/zinc/09/88/31/392098831.db2.gz WOVYZPXFDDEBEG-DGCLKSJQSA-N -1 3 277.364 3.052 20 0 CGADHM Cc1ccc(C(=O)Nc2cc(F)c(F)cc2F)c([O-])c1 ZINC000061094619 392125599 /nfs/dbraw/zinc/12/55/99/392125599.db2.gz PAYPDVFSEASTTJ-UHFFFAOYSA-N -1 3 281.233 3.370 20 0 CGADHM CC(C)c1cccc(N(C)C(=O)c2ccc3n[n-]nc3c2)c1 ZINC000062527430 392131888 /nfs/dbraw/zinc/13/18/88/392131888.db2.gz BQLPBDGNGOSRNT-UHFFFAOYSA-N -1 3 294.358 3.358 20 0 CGADHM COc1ccc([O-])c(C(=O)N2CCC[C@H](C(C)C)CC2)c1 ZINC000071029029 392187325 /nfs/dbraw/zinc/18/73/25/392187325.db2.gz BIUHKNBXHKBRBP-ZDUSSCGKSA-N -1 3 291.391 3.299 20 0 CGADHM CCCCc1nc(C[S@@](=O)c2ccc([O-])cc2)cs1 ZINC000108087075 392336273 /nfs/dbraw/zinc/33/62/73/392336273.db2.gz SCODRVMKRQUMAN-IBGZPJMESA-N -1 3 295.429 3.499 20 0 CGADHM CCc1ccc([O-])c(-c2nc(-c3cccc(C)n3)no2)c1 ZINC000436905571 542658445 /nfs/dbraw/zinc/65/84/45/542658445.db2.gz AVMSPADZTPYHIM-UHFFFAOYSA-N -1 3 281.315 3.375 20 0 CGADHM CC[C@@H](C)[C@H](C)C(=O)Nc1ccc(OC)cc1[O-] ZINC000443565921 542667394 /nfs/dbraw/zinc/66/73/94/542667394.db2.gz JOZCGKOLXQRVGS-ZJUUUORDSA-N -1 3 251.326 3.022 20 0 CGADHM COc1ccc(NC(=O)c2nccc3ccccc32)c([O-])c1 ZINC000443560662 542667309 /nfs/dbraw/zinc/66/73/09/542667309.db2.gz RGZHLLCINIYQKV-UHFFFAOYSA-N -1 3 294.310 3.201 20 0 CGADHM COc1ccc(NC(=O)c2cc(C)cc(F)c2)c([O-])c1 ZINC000443562090 542667008 /nfs/dbraw/zinc/66/70/08/542667008.db2.gz VMHACMFRKJRAEE-UHFFFAOYSA-N -1 3 275.279 3.101 20 0 CGADHM COc1ccc(NC(=O)c2csc(C(C)C)n2)c([O-])c1 ZINC000443561827 542667135 /nfs/dbraw/zinc/66/71/35/542667135.db2.gz RXWWQNRGYJASEX-UHFFFAOYSA-N -1 3 292.360 3.233 20 0 CGADHM O=C(NCCC[C@H]1CCOC1)c1cc([O-])c2ccccc2c1 ZINC000456769180 542688996 /nfs/dbraw/zinc/68/89/96/542688996.db2.gz ONJLJFZGEQMPJK-ZDUSSCGKSA-N -1 3 299.370 3.092 20 0 CGADHM Cc1c([N-]C(=O)[C@@H]2CCCO2)onc1C1CCCCC1 ZINC000291413565 392460653 /nfs/dbraw/zinc/46/06/53/392460653.db2.gz GWCMSSBUNFUWSQ-LBPRGKRZSA-N -1 3 278.352 3.148 20 0 CGADHM Cc1cc(Cl)cnc1NC([O-])=NOCCC(F)(F)F ZINC000291537458 392464791 /nfs/dbraw/zinc/46/47/91/392464791.db2.gz RGABDXBOXXRKOP-UHFFFAOYSA-N -1 3 297.664 3.049 20 0 CGADHM Cc1cc(Cl)cnc1NC(=O)[N-]OCCC(F)(F)F ZINC000291537458 392464799 /nfs/dbraw/zinc/46/47/99/392464799.db2.gz RGABDXBOXXRKOP-UHFFFAOYSA-N -1 3 297.664 3.049 20 0 CGADHM CCCc1nnc([N-]C(=O)c2oc(C(C)C)nc2C)s1 ZINC000292606929 392506332 /nfs/dbraw/zinc/50/63/32/392506332.db2.gz WMOXLMDMPKSPDV-UHFFFAOYSA-N -1 3 294.380 3.163 20 0 CGADHM COc1ccc2[nH]c(C(=O)Nc3ccc(C)cc3[O-])cc2c1 ZINC000170217888 392612435 /nfs/dbraw/zinc/61/24/35/392612435.db2.gz MZOKURVOMLAATA-UHFFFAOYSA-N -1 3 296.326 3.443 20 0 CGADHM CCOC(=O)c1ccc(NC(=O)[C@@H](C)[C@H](C)CC)c([O-])c1 ZINC000506479006 392726773 /nfs/dbraw/zinc/72/67/73/392726773.db2.gz IBJVVEAVQOLVJK-MNOVXSKESA-N -1 3 293.363 3.190 20 0 CGADHM [O-]c1cc(F)cc(CN2CCOC[C@@H]2c2ccccc2)c1 ZINC000375230402 392750824 /nfs/dbraw/zinc/75/08/24/392750824.db2.gz TVBLCKWITMHLBU-QGZVFWFLSA-N -1 3 287.334 3.105 20 0 CGADHM CC(C)Oc1ccccc1CN1CCC(C)(C(=O)[O-])CC1 ZINC000647375192 392709768 /nfs/dbraw/zinc/70/97/68/392709768.db2.gz UJMZYDNZYRUMJE-UHFFFAOYSA-N -1 3 291.391 3.161 20 0 CGADHM CN(C(=O)c1ccccc1[O-])[C@@H]1CCc2ccccc21 ZINC000192625761 392855094 /nfs/dbraw/zinc/85/50/94/392855094.db2.gz GUULKYLZFYILRN-OAHLLOKOSA-N -1 3 267.328 3.152 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)[C@H](C)C2CCC2)c1-c1ccccc1 ZINC000520361969 392920812 /nfs/dbraw/zinc/92/08/12/392920812.db2.gz IBWLRINRWDZIDX-LLVKDONJSA-N -1 3 283.375 3.182 20 0 CGADHM COc1cc(C)cc(C(=O)Nc2ccc3cc[nH]c3c2)c1[O-] ZINC000194874073 392943162 /nfs/dbraw/zinc/94/31/62/392943162.db2.gz GKVLGAPHJREQJR-UHFFFAOYSA-N -1 3 296.326 3.443 20 0 CGADHM O=C(N[C@@H]1CC[C@H]2CCCC[C@@H]2C1)c1cccc2nn[n-]c21 ZINC000525865592 392950033 /nfs/dbraw/zinc/95/00/33/392950033.db2.gz YZMPTAALKCWNNX-JHJVBQTASA-N -1 3 298.390 3.047 20 0 CGADHM O=C(N[C@@H]1CC[C@H]2CCCC[C@@H]2C1)c1cccc2[n-]nnc21 ZINC000525865592 392950035 /nfs/dbraw/zinc/95/00/35/392950035.db2.gz YZMPTAALKCWNNX-JHJVBQTASA-N -1 3 298.390 3.047 20 0 CGADHM O=C(N[C@@H]1CC[C@H]2CCCC[C@@H]2C1)c1cccc2n[n-]nc21 ZINC000525865592 392950037 /nfs/dbraw/zinc/95/00/37/392950037.db2.gz YZMPTAALKCWNNX-JHJVBQTASA-N -1 3 298.390 3.047 20 0 CGADHM COc1cccc(C)c1NC(=O)c1cc(C)ccc1[O-] ZINC000195020620 392952748 /nfs/dbraw/zinc/95/27/48/392952748.db2.gz QTWXDSGSOJTTMZ-UHFFFAOYSA-N -1 3 271.316 3.270 20 0 CGADHM Fc1cccc(Sc2cccs2)c1-c1nnn[n-]1 ZINC000737663829 572609636 /nfs/dbraw/zinc/60/96/36/572609636.db2.gz KNGKHEUEPPKLAF-UHFFFAOYSA-N -1 3 278.337 3.219 20 0 CGADHM Cc1cscc1CNC(=O)c1cc([O-])ccc1Cl ZINC000235811399 393029311 /nfs/dbraw/zinc/02/93/11/393029311.db2.gz RFZKMJRHJVJTPQ-UHFFFAOYSA-N -1 3 281.764 3.346 20 0 CGADHM CC(C)(C)CC(=O)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000467714642 393107796 /nfs/dbraw/zinc/10/77/96/393107796.db2.gz OAJGVZBPIYSAON-UHFFFAOYSA-N -1 3 293.317 3.152 20 0 CGADHM CC[C@@](C)([N-]S(=O)(=O)c1ccc(C)cc1)C(F)(F)F ZINC000547496267 393123457 /nfs/dbraw/zinc/12/34/57/393123457.db2.gz AUXVCQGSSPQGQM-LLVKDONJSA-N -1 3 295.326 3.004 20 0 CGADHM CN(Cc1ccc[nH]1)Cc1cc([O-])ccc1Br ZINC000354026255 393237936 /nfs/dbraw/zinc/23/79/36/393237936.db2.gz QAPFOQXRDCAMOB-UHFFFAOYSA-N -1 3 295.180 3.115 20 0 CGADHM C[C@@H]1CN(C(=O)c2c[n-]c3ccccc3c2=O)C(C)(C)C1 ZINC000266953678 393185173 /nfs/dbraw/zinc/18/51/73/393185173.db2.gz VKPISJOHRSCMBJ-NSHDSACASA-N -1 3 284.359 3.201 20 0 CGADHM CC(C)(C)n1cc(NCc2c(F)ccc([O-])c2F)cn1 ZINC000352703374 393206933 /nfs/dbraw/zinc/20/69/33/393206933.db2.gz CSWUEZDAMBDKIQ-UHFFFAOYSA-N -1 3 281.306 3.234 20 0 CGADHM CCC(C)(C)CC(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000648904309 393286043 /nfs/dbraw/zinc/28/60/43/393286043.db2.gz CQEBYEYXJQUGDM-UHFFFAOYSA-N -1 3 263.337 3.360 20 0 CGADHM Cc1cc(C)c2[n-]cc(C(=O)N3CC[C@@H](C)C3)c(=O)c2c1 ZINC000274895847 393291073 /nfs/dbraw/zinc/29/10/73/393291073.db2.gz CBJVJCHXFMDIMH-SNVBAGLBSA-N -1 3 284.359 3.039 20 0 CGADHM C[C@@H](CCNCc1c(F)cccc1Cl)CC(=O)[O-] ZINC000277273405 393308146 /nfs/dbraw/zinc/30/81/46/393308146.db2.gz LOGJWFGKZALGCI-VIFPVBQESA-N -1 3 273.735 3.070 20 0 CGADHM Cc1ccnc(NC(=O)c2cc([O-])cc(C(F)(F)F)c2)c1 ZINC000646585629 393308414 /nfs/dbraw/zinc/30/84/14/393308414.db2.gz MCVQDNLXRLKSRJ-UHFFFAOYSA-N -1 3 296.248 3.367 20 0 CGADHM C[C@@H]1CC[C@@H](SCc2cc(=O)[n-]c(C3CC3)n2)C1 ZINC000419583589 393407540 /nfs/dbraw/zinc/40/75/40/393407540.db2.gz HMCNLXQMQZTTAL-BXKDBHETSA-N -1 3 264.394 3.481 20 0 CGADHM CC[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000475522077 393406208 /nfs/dbraw/zinc/40/62/08/393406208.db2.gz ATEAOGFUAZDYQL-FZMZJTMJSA-N -1 3 299.378 3.022 20 0 CGADHM CC[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000475522077 393406210 /nfs/dbraw/zinc/40/62/10/393406210.db2.gz ATEAOGFUAZDYQL-FZMZJTMJSA-N -1 3 299.378 3.022 20 0 CGADHM CCc1ccc2nccc(N3CC[C@@H](C(=O)[O-])[C@H](C)C3)c2c1 ZINC000649404885 393413032 /nfs/dbraw/zinc/41/30/32/393413032.db2.gz YKAADEFKHPYGQU-TZMCWYRMSA-N -1 3 298.386 3.344 20 0 CGADHM CCN(Cc1cc([O-])cc(C(F)(F)F)c1)CC(F)F ZINC000356429150 393442269 /nfs/dbraw/zinc/44/22/69/393442269.db2.gz AOBJUWUVRXREIS-UHFFFAOYSA-N -1 3 283.240 3.498 20 0 CGADHM O=C([O-])[C@H](CNCc1cc(Cl)ccc1F)CC1CC1 ZINC000649511786 393464682 /nfs/dbraw/zinc/46/46/82/393464682.db2.gz QKRSIURTQBUVCK-NSHDSACASA-N -1 3 285.746 3.070 20 0 CGADHM O=c1cc(CN2CCC23CCCC3)nc(-c2ccccc2)[n-]1 ZINC000649658469 393528490 /nfs/dbraw/zinc/52/84/90/393528490.db2.gz MBMGQQKZASFTEQ-UHFFFAOYSA-N -1 3 295.386 3.368 20 0 CGADHM CC(C)(C)c1ccc(NC(=O)[C@@](C)(O)C2CCC2)c([O-])c1 ZINC000488554045 393538743 /nfs/dbraw/zinc/53/87/43/393538743.db2.gz XUMOCIJPNWKXTG-KRWDZBQOSA-N -1 3 291.391 3.179 20 0 CGADHM CCCCCc1cc(C(=O)Nc2ccccc2[O-])n[nH]1 ZINC000666920796 542826390 /nfs/dbraw/zinc/82/63/90/542826390.db2.gz DKGHGLNHSIKMBX-UHFFFAOYSA-N -1 3 273.336 3.100 20 0 CGADHM CCc1ccccc1CSc1ncc(C(=O)OC)[n-]1 ZINC000432663197 393625771 /nfs/dbraw/zinc/62/57/71/393625771.db2.gz FXTXRZFKQQEXRW-UHFFFAOYSA-N -1 3 276.361 3.051 20 0 CGADHM C[C@H](CCNC(=O)c1ccc2n[n-]nc2c1)CC(C)(C)C ZINC000443396968 393755628 /nfs/dbraw/zinc/75/56/28/393755628.db2.gz YJBLWOCUSWCJJO-LLVKDONJSA-N -1 3 288.395 3.150 20 0 CGADHM COc1ccc([O-])c(C(=O)N2CCCC3(CCCC3)C2)c1 ZINC000438680072 393729629 /nfs/dbraw/zinc/72/96/29/393729629.db2.gz CSEXSMOQQQWYPI-UHFFFAOYSA-N -1 3 289.375 3.197 20 0 CGADHM Cc1cc(C(=O)N[C@H]2C[C@@H]2Cc2ccccc2)ccc1[O-] ZINC000500603669 393833831 /nfs/dbraw/zinc/83/38/31/393833831.db2.gz DESSBBJPCJDFSN-HOTGVXAUSA-N -1 3 281.355 3.062 20 0 CGADHM CC(C)c1cccc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)c1 ZINC000667014604 542836939 /nfs/dbraw/zinc/83/69/39/542836939.db2.gz YJFDNAKQNOKBKR-UHFFFAOYSA-N -1 3 298.268 3.199 20 0 CGADHM CC(C)c1cccc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)c1 ZINC000667014604 542836944 /nfs/dbraw/zinc/83/69/44/542836944.db2.gz YJFDNAKQNOKBKR-UHFFFAOYSA-N -1 3 298.268 3.199 20 0 CGADHM COc1ccc([O-])c(C(=O)N2CCC[C@]2(C)CC(C)C)c1 ZINC000452505859 394073850 /nfs/dbraw/zinc/07/38/50/394073850.db2.gz CEUHLYNZIJBZKF-QGZVFWFLSA-N -1 3 291.391 3.442 20 0 CGADHM COc1ccc([O-])c(C(=O)N2CCC[C@@]2(C)CC(C)C)c1 ZINC000452505858 394074022 /nfs/dbraw/zinc/07/40/22/394074022.db2.gz CEUHLYNZIJBZKF-KRWDZBQOSA-N -1 3 291.391 3.442 20 0 CGADHM O=C(NCC[C@H]1CCc2ccccc21)c1cccc([O-])c1 ZINC000452735473 394109101 /nfs/dbraw/zinc/10/91/01/394109101.db2.gz XPIGNTNUDYFZQP-CQSZACIVSA-N -1 3 281.355 3.242 20 0 CGADHM CC[C@@]1(C(C)C)C[C@@H]1NC(=O)Cc1ccc([O-])c(F)c1 ZINC000457232358 394334234 /nfs/dbraw/zinc/33/42/34/394334234.db2.gz IVLIIANMQAIQEQ-HOCLYGCPSA-N -1 3 279.355 3.015 20 0 CGADHM CC(C)N(C(=O)c1cccc([O-])c1)C1CC(C)(C)C1 ZINC000457079334 394317543 /nfs/dbraw/zinc/31/75/43/394317543.db2.gz FUJRKCBFMHFZBP-UHFFFAOYSA-N -1 3 261.365 3.431 20 0 CGADHM CCC(CC)N(C(=O)c1ccc(C(C)=O)c([O-])c1)C1CC1 ZINC000667888726 542942485 /nfs/dbraw/zinc/94/24/85/542942485.db2.gz CEDQWSYVGYVZAB-UHFFFAOYSA-N -1 3 289.375 3.388 20 0 CGADHM O=c1nc(-c2ccsn2)[n-]c2sc3c(c21)CCC3 ZINC000668142489 542974240 /nfs/dbraw/zinc/97/42/40/542974240.db2.gz LSYYACUFRQYDOK-UHFFFAOYSA-N -1 3 275.358 3.009 20 0 CGADHM O=C([N-]c1cc(F)c(F)cc1F)c1onc2c1CCCC2 ZINC000668269938 543000115 /nfs/dbraw/zinc/00/01/15/543000115.db2.gz XBPPVERSJOFVJQ-UHFFFAOYSA-N -1 3 296.248 3.223 20 0 CGADHM C[C@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1ccsc1 ZINC000669917962 543133519 /nfs/dbraw/zinc/13/35/19/543133519.db2.gz QHCJYXJCUBBVTN-JTQLQIEISA-N -1 3 298.367 3.081 20 0 CGADHM CCc1cc([N-]C(=O)c2sccc2Cl)no1 ZINC000671734627 543182959 /nfs/dbraw/zinc/18/29/59/543182959.db2.gz ZYOFPXUDMLAEPY-UHFFFAOYSA-N -1 3 256.714 3.204 20 0 CGADHM CCc1cc2c([n-]c(-c3cccs3)nc2=O)s1 ZINC000046702922 397629581 /nfs/dbraw/zinc/62/95/81/397629581.db2.gz MBQYXYAMZYERMF-UHFFFAOYSA-N -1 3 262.359 3.276 20 0 CGADHM CO[C@H](COc1ccc2c([O-])coc2c1)c1ccccc1 ZINC000393493917 397693974 /nfs/dbraw/zinc/69/39/74/397693974.db2.gz IQGISCHURFFVMH-QGZVFWFLSA-N -1 3 284.311 3.028 20 0 CGADHM CC[C@H](C(=O)[O-])N(C)Cc1cc(C(F)(F)F)ccc1F ZINC000650806601 397927431 /nfs/dbraw/zinc/92/74/31/397927431.db2.gz DOCLBZATNDDGAD-LLVKDONJSA-N -1 3 293.260 3.140 20 0 CGADHM CCc1cc(=O)[n-]c(CN(C)[C@@H]2CCCc3ccccc32)n1 ZINC000675178646 543319804 /nfs/dbraw/zinc/31/98/04/543319804.db2.gz XEISIHMXYIBREG-MRXNPFEDSA-N -1 3 297.402 3.254 20 0 CGADHM CC(C)c1ccc(C(=O)N[C@H](C)C[C@H]2CCOC2)c([O-])c1 ZINC000675416088 543338256 /nfs/dbraw/zinc/33/82/56/543338256.db2.gz NQDJTKPGYJWUNV-CHWSQXEVSA-N -1 3 291.391 3.061 20 0 CGADHM Cc1occc1CNCc1cc([O-])ccc1Br ZINC000676238186 543387629 /nfs/dbraw/zinc/38/76/29/543387629.db2.gz HTSPEXAUPPAIEV-UHFFFAOYSA-N -1 3 296.164 3.346 20 0 CGADHM Cc1ccc([O-])c(CN2CCCc3sccc3C2)n1 ZINC000678259095 543503384 /nfs/dbraw/zinc/50/33/84/543503384.db2.gz AMLKCFXXJWISLQ-UHFFFAOYSA-N -1 3 274.389 3.106 20 0 CGADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CCC[C@H]1C1CC1 ZINC000678310017 543513583 /nfs/dbraw/zinc/51/35/83/543513583.db2.gz CCDSTYDLWSWHMN-INIZCTEOSA-N -1 3 285.387 3.286 20 0 CGADHM Cc1ccc2[n-]cc(C(=O)N3CCCCC[C@H]3C)c(=O)c2c1 ZINC000341803514 292300295 /nfs/dbraw/zinc/30/02/95/292300295.db2.gz IRAMRDXSKOZRIV-CYBMUJFWSA-N -1 3 298.386 3.241 20 0 CGADHM COc1cccc(C(=O)N2CCCC[C@H]2CC(C)C)c1[O-] ZINC000163063835 286440307 /nfs/dbraw/zinc/44/03/07/286440307.db2.gz SWEBKYQYTGYMAZ-ZDUSSCGKSA-N -1 3 291.391 3.442 20 0 CGADHM CC1([N-]S(=O)(=O)c2ccc(Cl)cc2F)CCCC1 ZINC000049078775 286917139 /nfs/dbraw/zinc/91/71/39/286917139.db2.gz XZLDFCNMENKFDD-UHFFFAOYSA-N -1 3 291.775 3.090 20 0 CGADHM COc1cccc(C(=O)N2CCC[C@@H](C(C)C)CC2)c1[O-] ZINC000071029138 286991732 /nfs/dbraw/zinc/99/17/32/286991732.db2.gz MZCHLQLKQAOCAP-CYBMUJFWSA-N -1 3 291.391 3.299 20 0 CGADHM Cc1ccc(C[C@H](C)NC(=O)c2cc(C)ccc2[O-])s1 ZINC000080247376 287064156 /nfs/dbraw/zinc/06/41/56/287064156.db2.gz OUBSRXHHPDIFGR-NSHDSACASA-N -1 3 289.400 3.432 20 0 CGADHM C[C@@H](c1cc(F)ccc1F)N1CCC[C@H](CC(=O)[O-])C1 ZINC000086756711 287084010 /nfs/dbraw/zinc/08/40/10/287084010.db2.gz OCLZGQGXHXOSAU-WDEREUQCSA-N -1 3 283.318 3.213 20 0 CGADHM CC[C@H]1CCCN(C(=O)c2cccc(OC)c2[O-])CC1 ZINC000079053533 165143636 /nfs/dbraw/zinc/14/36/36/165143636.db2.gz ISMZWFHVSVPREC-LBPRGKRZSA-N -1 3 277.364 3.053 20 0 CGADHM O=C(CCc1ccccc1)Nc1ccc([O-])cc1F ZINC000085203774 165178905 /nfs/dbraw/zinc/17/89/05/165178905.db2.gz AQWCJJALWKKWSY-UHFFFAOYSA-N -1 3 259.280 3.103 20 0 CGADHM C[C@H](CCC[C@@H](C)C(=O)[O-])NCc1cc(F)ccc1F ZINC000087679354 165189821 /nfs/dbraw/zinc/18/98/21/165189821.db2.gz OTEPXWKRPWGDEF-GHMZBOCLSA-N -1 3 285.334 3.334 20 0 CGADHM COc1ccc(F)cc1CNCCC(C)(C)CCC(=O)[O-] ZINC000087676739 165190936 /nfs/dbraw/zinc/19/09/36/165190936.db2.gz XKROPEMPPWEJCH-UHFFFAOYSA-N -1 3 297.370 3.205 20 0 CGADHM CCc1oc(C(=O)[N-]c2c(C)noc2CC)cc1C ZINC000089395362 165203267 /nfs/dbraw/zinc/20/32/67/165203267.db2.gz UGICSMJGBYVDTI-UHFFFAOYSA-N -1 3 262.309 3.262 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CCC[C@H]3CCC[C@@H]32)c1 ZINC000091682090 287109398 /nfs/dbraw/zinc/10/93/98/287109398.db2.gz RHCBTYIYWQEXMB-HIFRSBDPSA-N -1 3 273.376 3.359 20 0 CGADHM CCc1ccc([O-])c(C(=O)N(C)[C@@H](C)c2ccco2)c1 ZINC000093939824 165343694 /nfs/dbraw/zinc/34/36/94/165343694.db2.gz TVPHJTLDXNRKMS-NSHDSACASA-N -1 3 273.332 3.381 20 0 CGADHM CO[C@H](C)c1cccc(NC(=O)c2cccc([O-])c2)c1 ZINC000182305015 165701809 /nfs/dbraw/zinc/70/18/09/165701809.db2.gz XGCZMFNVBUCKNQ-LLVKDONJSA-N -1 3 271.316 3.352 20 0 CGADHM Cc1nc(Cc2noc(-c3cc(C)ccc3[O-])n2)cs1 ZINC000111688504 287136351 /nfs/dbraw/zinc/13/63/51/287136351.db2.gz SWLKOQXMMRZWFL-UHFFFAOYSA-N -1 3 287.344 3.106 20 0 CGADHM Cc1cccc(C(=O)N2CC[C@H](C)C[C@@H](C)C2)c1[O-] ZINC000119355188 287168440 /nfs/dbraw/zinc/16/84/40/287168440.db2.gz QWENDZRKBMNXTK-NWDGAFQWSA-N -1 3 261.365 3.209 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2ccccc2N(C)C)c1 ZINC000121376902 287197575 /nfs/dbraw/zinc/19/75/75/287197575.db2.gz DVIXJVBYAPTYAO-UHFFFAOYSA-N -1 3 270.332 3.019 20 0 CGADHM Cc1ccc(C(=O)N2CCCc3cc(F)ccc32)c([O-])c1 ZINC000122045873 287205792 /nfs/dbraw/zinc/20/57/92/287205792.db2.gz VKBCXSQYGIGFFE-UHFFFAOYSA-N -1 3 285.318 3.433 20 0 CGADHM CCN(Cc1ccccc1C)C(=O)c1ccccc1[O-] ZINC000124424553 287233297 /nfs/dbraw/zinc/23/32/97/287233297.db2.gz YUKGAWTUGNCQRD-UHFFFAOYSA-N -1 3 269.344 3.363 20 0 CGADHM Cc1ccc(C(=O)Nc2ccc(-c3nnco3)cc2)c([O-])c1 ZINC000124430026 287233324 /nfs/dbraw/zinc/23/33/24/287233324.db2.gz AFGXQIMQZJZWHP-UHFFFAOYSA-N -1 3 295.298 3.003 20 0 CGADHM C[C@@H](NCCC(=O)[O-])c1ccc(Cl)cc1Cl ZINC000020303451 171140197 /nfs/dbraw/zinc/14/01/97/171140197.db2.gz DALBAGBSHPRTLK-SSDOTTSWSA-N -1 3 262.136 3.119 20 0 CGADHM Cc1ccc(C(=O)N2CC[C@@H](Cc3ccccc3)C2)c([O-])c1 ZINC000125990067 287254655 /nfs/dbraw/zinc/25/46/55/287254655.db2.gz SXUTXWBMBBGWKT-INIZCTEOSA-N -1 3 295.382 3.405 20 0 CGADHM COc1ccc(-c2noc(-c3ccccc3[O-])n2)cc1OC ZINC000022120010 171353337 /nfs/dbraw/zinc/35/33/37/171353337.db2.gz BYQSIYAHIIQXFH-UHFFFAOYSA-N -1 3 298.298 3.126 20 0 CGADHM COCc1cccc(NC(=O)c2ccc(C)cc2[O-])c1 ZINC000031287141 171634605 /nfs/dbraw/zinc/63/46/05/171634605.db2.gz MKPUBLLEKXXXPJ-UHFFFAOYSA-N -1 3 271.316 3.099 20 0 CGADHM COc1cccc(C(=O)N2CC[C@H]3CCCC[C@@H]3C2)c1[O-] ZINC000035175080 172028363 /nfs/dbraw/zinc/02/83/63/172028363.db2.gz SQURJMGNHTVWDN-CHWSQXEVSA-N -1 3 289.375 3.053 20 0 CGADHM O=C([O-])C[C@H]1CCCCN1Cc1ccc(Cl)s1 ZINC000038027716 174014129 /nfs/dbraw/zinc/01/41/29/174014129.db2.gz WWFDAIMFDYIPDK-SECBINFHSA-N -1 3 273.785 3.231 20 0 CGADHM O=C([O-])CC[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000043585503 175071465 /nfs/dbraw/zinc/07/14/65/175071465.db2.gz LKVCQALUDMFNOT-GFCCVEGCSA-N -1 3 281.783 3.417 20 0 CGADHM C[C@H](C(=O)Nc1cccc([O-])c1F)n1cnc2ccccc21 ZINC000128341302 287309003 /nfs/dbraw/zinc/30/90/03/287309003.db2.gz MFRMSOFBKNUFEK-SNVBAGLBSA-N -1 3 299.305 3.081 20 0 CGADHM Cc1ccc(/C=C/C(=O)Nc2cccc([O-])c2F)o1 ZINC000128467946 287311991 /nfs/dbraw/zinc/31/19/91/287311991.db2.gz MAQQYBAINAFSGB-BQYQJAHWSA-N -1 3 261.252 3.085 20 0 CGADHM CC(C)(C)c1cc(C(=O)Nc2cccc([O-])c2F)no1 ZINC000128678595 287315978 /nfs/dbraw/zinc/31/59/78/287315978.db2.gz LKJMKUGNCYDNAC-UHFFFAOYSA-N -1 3 278.283 3.069 20 0 CGADHM O=C(CCCc1ccccc1)Nc1cccc([O-])c1F ZINC000128790588 287318688 /nfs/dbraw/zinc/31/86/88/287318688.db2.gz SFBZWIMENQOTEI-UHFFFAOYSA-N -1 3 273.307 3.493 20 0 CGADHM O=C(Nc1cccc([O-])c1F)c1cccc(OC(F)F)c1 ZINC000129412904 287330983 /nfs/dbraw/zinc/33/09/83/287330983.db2.gz YICHZINWVCDENI-UHFFFAOYSA-N -1 3 297.232 3.385 20 0 CGADHM CSc1ccc(CN2CCC(CCC(=O)[O-])CC2)cc1 ZINC000050926309 416478762 /nfs/dbraw/zinc/47/87/62/416478762.db2.gz IQBOZUFXMUQKAL-UHFFFAOYSA-N -1 3 293.432 3.485 20 0 CGADHM Cc1cc(C)cc(COc2ccc3c([O-])coc3c2)c1 ZINC000057524135 416483007 /nfs/dbraw/zinc/48/30/07/416483007.db2.gz JKLCAJNRROIOHP-UHFFFAOYSA-N -1 3 268.312 3.458 20 0 CGADHM C[C@@]1(C(=O)[O-])CCCN(Cc2cccc(Cl)c2)C1 ZINC000062876795 416488431 /nfs/dbraw/zinc/48/84/31/416488431.db2.gz YNPOZWMDCPURQN-CQSZACIVSA-N -1 3 267.756 3.027 20 0 CGADHM C[C@@H]1CN(Cc2cccc(C(F)F)c2)CC[C@@H]1C(=O)[O-] ZINC000312825396 416533427 /nfs/dbraw/zinc/53/34/27/416533427.db2.gz JIOMNVAJPVYTDR-MFKMUULPSA-N -1 3 283.318 3.167 20 0 CGADHM O=C(Nc1cccc([O-])c1F)c1cc(-c2ccccc2)on1 ZINC000129680564 287337442 /nfs/dbraw/zinc/33/74/42/287337442.db2.gz DEEWJGWURQSKQJ-UHFFFAOYSA-N -1 3 298.273 3.439 20 0 CGADHM C[C@@H]1CCN(C(=O)c2cc3c(cc2[O-])CCCC3)C[C@@H]1F ZINC000679249788 543607241 /nfs/dbraw/zinc/60/72/41/543607241.db2.gz DUOBDRBQJPMZQP-ABAIWWIYSA-N -1 3 291.366 3.091 20 0 CGADHM Cc1cc(C(=O)Nc2cc(-c3cccs3)[nH]n2)ccc1[O-] ZINC000679383854 543631756 /nfs/dbraw/zinc/63/17/56/543631756.db2.gz IJRRWMRDEOPXRC-UHFFFAOYSA-N -1 3 299.355 3.405 20 0 CGADHM CCCCCSCc1ccc(F)cc1-c1nn[n-]n1 ZINC000736451640 572794423 /nfs/dbraw/zinc/79/44/23/572794423.db2.gz PMEOFYFGSHHTGT-UHFFFAOYSA-N -1 3 280.372 3.429 20 0 CGADHM COc1cccc2cc(C(=O)Nc3nc(C)ccc3[O-])oc21 ZINC000680321310 543696541 /nfs/dbraw/zinc/69/65/41/543696541.db2.gz MHYYZBXABSUHOW-UHFFFAOYSA-N -1 3 298.298 3.103 20 0 CGADHM Cc1cccc(C(=O)N2CC[C@H](C(C)(C)C)C2)c1[O-] ZINC000131385732 287378007 /nfs/dbraw/zinc/37/80/07/287378007.db2.gz MCZVZYJOJWJYHJ-LBPRGKRZSA-N -1 3 261.365 3.209 20 0 CGADHM Cc1cc(C(=O)Nc2cc(CO)c(C)cc2C)ccc1[O-] ZINC000682582844 543853265 /nfs/dbraw/zinc/85/32/65/543853265.db2.gz MZODJCFEKVTRJW-UHFFFAOYSA-N -1 3 285.343 3.062 20 0 CGADHM O=C([O-])c1ccc(CNCc2cccc3cnccc32)cc1 ZINC000683170389 543900874 /nfs/dbraw/zinc/90/08/74/543900874.db2.gz OHYGMTDBMYEPNZ-UHFFFAOYSA-N -1 3 292.338 3.223 20 0 CGADHM CC1(c2cc([N-]C(=O)c3nccs3)no2)CCCC1 ZINC000684151436 543969941 /nfs/dbraw/zinc/96/99/41/543969941.db2.gz OQVOBXIZADIMOK-UHFFFAOYSA-N -1 3 277.349 3.215 20 0 CGADHM Cc1cc(Br)oc1C(=O)[N-]c1ccncc1F ZINC000132174474 287398446 /nfs/dbraw/zinc/39/84/46/287398446.db2.gz YPALYMCKOSXVSG-UHFFFAOYSA-N -1 3 299.099 3.137 20 0 CGADHM Cc1ccccc1[C@@H](C)N(C)Cc1ncccc1[O-] ZINC000685409758 544064825 /nfs/dbraw/zinc/06/48/25/544064825.db2.gz YBQDEXXBERSXSF-CYBMUJFWSA-N -1 3 256.349 3.289 20 0 CGADHM Cc1cccc(C(=O)NC2(C(F)F)CCCC2)c1[O-] ZINC000685279684 544059571 /nfs/dbraw/zinc/05/95/71/544059571.db2.gz KZAVHZYWMKBPCR-UHFFFAOYSA-N -1 3 269.291 3.008 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])c1c(F)cc(F)cc1F ZINC000133743623 287428860 /nfs/dbraw/zinc/42/88/60/287428860.db2.gz YNLZEXSCLYIPLI-UHFFFAOYSA-N -1 3 285.196 3.201 20 0 CGADHM CC(C)n1nccc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000135142226 287461978 /nfs/dbraw/zinc/46/19/78/287461978.db2.gz VMTGDBRTFDGLKB-UHFFFAOYSA-N -1 3 279.727 3.075 20 0 CGADHM Cc1ncccc1CN(Cc1ccccc1)C[C@@H](C)C(=O)[O-] ZINC000652456483 418969894 /nfs/dbraw/zinc/96/98/94/418969894.db2.gz KBRQKMAQGQCLKZ-CQSZACIVSA-N -1 3 298.386 3.113 20 0 CGADHM CCc1oc(C(=O)[O-])cc1CN1CCC[C@H](C)CC1 ZINC000652403001 418962764 /nfs/dbraw/zinc/96/27/64/418962764.db2.gz SSYZOPGPUXTHTH-NSHDSACASA-N -1 3 265.353 3.162 20 0 CGADHM CC[C@H](c1ccc(F)cc1F)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000652496805 418977084 /nfs/dbraw/zinc/97/70/84/418977084.db2.gz DYRIBSUYHGITAA-IFUGULHKSA-N -1 3 297.345 3.459 20 0 CGADHM O=C([O-])[C@@H]1CN(Cc2c(F)cccc2Cl)C[C@H]1C1CC1 ZINC000652515305 418978579 /nfs/dbraw/zinc/97/85/79/418978579.db2.gz XNKQSTRGVXDWRX-WDEREUQCSA-N -1 3 297.757 3.022 20 0 CGADHM CC[C@@H](c1ccccc1)N(CC(=O)[O-])Cc1ccc(C)nc1 ZINC000659793451 418991720 /nfs/dbraw/zinc/99/17/20/418991720.db2.gz YXLPRBUCLADONI-KRWDZBQOSA-N -1 3 298.386 3.428 20 0 CGADHM O=C([O-])[C@H](c1ccccc1C(F)(F)F)N1CC[C@H]2C[C@H]2C1 ZINC000659799635 418993035 /nfs/dbraw/zinc/99/30/35/418993035.db2.gz GIXPQSCJJZZTRH-KWBADKCTSA-N -1 3 299.292 3.173 20 0 CGADHM Cc1oc(CN2CCC[C@@H](C3CCC3)C2)cc1C(=O)[O-] ZINC000659801564 418994465 /nfs/dbraw/zinc/99/44/65/418994465.db2.gz ILNNKHYKVVFABS-CYBMUJFWSA-N -1 3 277.364 3.298 20 0 CGADHM Cc1oc(C(=O)[O-])cc1CN(C)C[C@H]1CCc2ccccc21 ZINC000659804567 418996411 /nfs/dbraw/zinc/99/64/11/418996411.db2.gz ZPVCHKOPCJHHHN-CQSZACIVSA-N -1 3 299.370 3.448 20 0 CGADHM Cc1ccsc1S(=O)(=O)[N-]CC(F)(F)C(C)(C)C ZINC000660106357 419078224 /nfs/dbraw/zinc/07/82/24/419078224.db2.gz CQXIQGGXPVYHBB-UHFFFAOYSA-N -1 3 297.392 3.016 20 0 CGADHM Cc1cc([N-]C(=O)[C@@H](C)Nc2ccc(Cl)c(C)c2)on1 ZINC000656128396 419144359 /nfs/dbraw/zinc/14/43/59/419144359.db2.gz XKYOVCHCFNWNHH-SNVBAGLBSA-N -1 3 293.754 3.384 20 0 CGADHM C[C@H](c1ccc(C(=O)[O-])o1)N1CCC[C@H](OC2CCC2)C1 ZINC000656191876 419148605 /nfs/dbraw/zinc/14/86/05/419148605.db2.gz SJKWYITVAYPBTN-YPMHNXCESA-N -1 3 293.363 3.072 20 0 CGADHM CC1(C)[C@H](CCC(=O)[O-])C[C@@H]1NCc1ccc(Cl)o1 ZINC000656567993 419184092 /nfs/dbraw/zinc/18/40/92/419184092.db2.gz MNXMNCCPIGIFMN-KOLCDFICSA-N -1 3 285.771 3.302 20 0 CGADHM O=C([O-])c1coc(CN2CC[C@@H](C3CCCCC3)C2)c1 ZINC000656760245 419211496 /nfs/dbraw/zinc/21/14/96/419211496.db2.gz AFKPSZFALBZLOY-CYBMUJFWSA-N -1 3 277.364 3.380 20 0 CGADHM Cn1c(C[N-]c2nnc([C@H]3CCCO3)o2)cc2ccccc21 ZINC000656772469 419214836 /nfs/dbraw/zinc/21/48/36/419214836.db2.gz QXRJFKSJRBWXFX-CQSZACIVSA-N -1 3 298.346 3.025 20 0 CGADHM O=C([O-])c1cccc(CN2CCC[C@H]2c2ccc(O)cc2)c1 ZINC000666573416 419226974 /nfs/dbraw/zinc/22/69/74/419226974.db2.gz NBSNVGBLHXIBAB-KRWDZBQOSA-N -1 3 297.354 3.428 20 0 CGADHM O=C([O-])CCCCNCc1ccc(-c2ccc(F)cc2)o1 ZINC000666583671 419228349 /nfs/dbraw/zinc/22/83/49/419228349.db2.gz XJPGBVLNKWRFHU-UHFFFAOYSA-N -1 3 291.322 3.430 20 0 CGADHM C[C@@H]1CCN(C(=O)C2=CCCC2)c2c([O-])cccc21 ZINC000186295685 287556314 /nfs/dbraw/zinc/55/63/14/287556314.db2.gz YDTFHNPGLSAHGQ-LLVKDONJSA-N -1 3 257.333 3.343 20 0 CGADHM CCC(CC)c1nnc(NC(=O)c2cccc([O-])c2)s1 ZINC000193245851 287606282 /nfs/dbraw/zinc/60/62/82/287606282.db2.gz UCMZLBNHNKFBPZ-UHFFFAOYSA-N -1 3 291.376 3.400 20 0 CGADHM Cc1cccc(CN(C)C(=O)c2ccc([O-])c(C)c2)c1 ZINC000227017320 287636296 /nfs/dbraw/zinc/63/62/96/287636296.db2.gz OYXKVOZIIZYNIY-UHFFFAOYSA-N -1 3 269.344 3.281 20 0 CGADHM Cc1cc(C(=O)N(C)CC2CCCCC2)ccc1[O-] ZINC000227016416 287636504 /nfs/dbraw/zinc/63/65/04/287636504.db2.gz CMPJJNLKGKNLRM-UHFFFAOYSA-N -1 3 261.365 3.353 20 0 CGADHM Cc1cc(C(=O)NCCc2c[nH]c3ccccc23)ccc1[O-] ZINC000318447347 261084327 /nfs/dbraw/zinc/08/43/27/261084327.db2.gz FOZIRCIQRGULKP-UHFFFAOYSA-N -1 3 294.354 3.154 20 0 CGADHM Cc1cc([C@@H](C)NC(=O)c2cc(C)ccc2[O-])c(C)o1 ZINC000044731483 270037707 /nfs/dbraw/zinc/03/77/07/270037707.db2.gz MGGNMAKWBAFBIW-LLVKDONJSA-N -1 3 273.332 3.401 20 0 CGADHM Cc1cccc(C(=O)N(C)CC2CCCCC2)c1[O-] ZINC000042420464 270033151 /nfs/dbraw/zinc/03/31/51/270033151.db2.gz MORJVLTXGATCSB-UHFFFAOYSA-N -1 3 261.365 3.353 20 0 CGADHM [O-]c1cc(F)cc(CNc2cnn(-c3ccccc3)c2)c1 ZINC000185611680 270063814 /nfs/dbraw/zinc/06/38/14/270063814.db2.gz QELSWQYUTOOTHP-UHFFFAOYSA-N -1 3 283.306 3.329 20 0 CGADHM COc1cccc(NC(=O)c2cc(-c3ccc(C)o3)[n-]n2)c1 ZINC000193122313 270078784 /nfs/dbraw/zinc/07/87/84/270078784.db2.gz ARRLAIJAECVTOV-UHFFFAOYSA-N -1 3 297.314 3.239 20 0 CGADHM COc1cccc(NC(=O)c2cc(-c3ccc(C)o3)n[n-]2)c1 ZINC000193122313 270078785 /nfs/dbraw/zinc/07/87/85/270078785.db2.gz ARRLAIJAECVTOV-UHFFFAOYSA-N -1 3 297.314 3.239 20 0 CGADHM CC(C)CN(C)Cc1cccc([O-])c1Br ZINC000316260651 270092958 /nfs/dbraw/zinc/09/29/58/270092958.db2.gz ZBECZWNBAHPZDM-UHFFFAOYSA-N -1 3 272.186 3.243 20 0 CGADHM [O-]c1ccccc1-c1nc([C@@H]2CCOc3ccccc32)no1 ZINC000316499704 270092998 /nfs/dbraw/zinc/09/29/98/270092998.db2.gz KVZZKHOPZTWMRM-GFCCVEGCSA-N -1 3 294.310 3.357 20 0 CGADHM CC[C@@H](NC(=O)c1ccccc1[O-])c1ccc(OC)cc1 ZINC000216622333 265973755 /nfs/dbraw/zinc/97/37/55/265973755.db2.gz YNMOUOHZRYAKON-OAHLLOKOSA-N -1 3 285.343 3.282 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2ccc3ccn(C)c3c2)c1 ZINC000525964149 270121122 /nfs/dbraw/zinc/12/11/22/270121122.db2.gz MQCMBFIXNJKJTR-UHFFFAOYSA-N -1 3 280.327 3.445 20 0 CGADHM CCC[C@@H](OCC)C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000528905154 270175668 /nfs/dbraw/zinc/17/56/68/270175668.db2.gz JLRZXYFXGYZFJH-GFCCVEGCSA-N -1 3 285.771 3.498 20 0 CGADHM O=C([O-])[C@H]1c2ccoc2CCN1CC/C=C\c1ccccc1 ZINC000530166487 270195237 /nfs/dbraw/zinc/19/52/37/270195237.db2.gz NOKNQBMPAYIVTA-RLXIPRIJSA-N -1 3 297.354 3.367 20 0 CGADHM Cc1cc(CN2CCc3occc3[C@@H]2C(=O)[O-])c(C)s1 ZINC000530166891 270195265 /nfs/dbraw/zinc/19/52/65/270195265.db2.gz SOAISLWTHNPBKG-CQSZACIVSA-N -1 3 291.372 3.142 20 0 CGADHM Cc1ccc([O-])c(CNc2cccc3c2OC(C)(C)C3)n1 ZINC000530439483 270199909 /nfs/dbraw/zinc/19/99/09/270199909.db2.gz XYFWUFGHSZDYQF-UHFFFAOYSA-N -1 3 284.359 3.421 20 0 CGADHM Cc1[nH]ccc1C(=O)Nc1ccc(Br)cc1[O-] ZINC000530937683 270204035 /nfs/dbraw/zinc/20/40/35/270204035.db2.gz FQCXMCYUOMJNDT-UHFFFAOYSA-N -1 3 295.136 3.044 20 0 CGADHM CCc1cccc(C(=O)Nc2cnn(CC(C)C)c2)c1[O-] ZINC000531435666 270206813 /nfs/dbraw/zinc/20/68/13/270206813.db2.gz BHOIORDMBUHCSA-UHFFFAOYSA-N -1 3 287.363 3.059 20 0 CGADHM Cc1cc(C(=O)N2C[C@H](C)C[C@@H](C)[C@@H]2C)ccc1[O-] ZINC000235373145 287649606 /nfs/dbraw/zinc/64/96/06/287649606.db2.gz HSXUEFCRHWDRLO-WZRBSPASSA-N -1 3 261.365 3.207 20 0 CGADHM CCC[C@@H]1CCCCN1C(=O)c1c[n-]c2ccccc2c1=O ZINC000186987707 276273615 /nfs/dbraw/zinc/27/36/15/276273615.db2.gz DSGANMXQPASDRN-CYBMUJFWSA-N -1 3 298.386 3.323 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CCC[C@H]2CC(C)C)c1 ZINC000396768993 288016142 /nfs/dbraw/zinc/01/61/42/288016142.db2.gz CKFQWZSUYDGRNR-ZDUSSCGKSA-N -1 3 261.365 3.351 20 0 CGADHM C[C@@H]1CCC[C@@H]1NCc1cccc([O-])c1Br ZINC000315045708 278504326 /nfs/dbraw/zinc/50/43/26/278504326.db2.gz QWSCTJHCGUODOK-KOLCDFICSA-N -1 3 284.197 3.433 20 0 CGADHM Cc1nc(C)c(C(=O)N2CCCc3cccc([O-])c32)s1 ZINC000155580053 279073762 /nfs/dbraw/zinc/07/37/62/279073762.db2.gz NEACXQTWDISDQA-UHFFFAOYSA-N -1 3 288.372 3.059 20 0 CGADHM CCc1cccc(C(=O)N(CC)CC2CCC2)c1[O-] ZINC000527274505 288162420 /nfs/dbraw/zinc/16/24/20/288162420.db2.gz FLJTVXMYCBXQQS-UHFFFAOYSA-N -1 3 261.365 3.217 20 0 CGADHM CC[C@H](c1ccncc1)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000263417175 288170509 /nfs/dbraw/zinc/17/05/09/288170509.db2.gz NPTPSYUIKOWBSN-MRXNPFEDSA-N -1 3 284.359 3.363 20 0 CGADHM O=C(Nc1ccccc1[O-])[C@@H]1C[C@]12CCc1ccccc12 ZINC000175085832 280041479 /nfs/dbraw/zinc/04/14/79/280041479.db2.gz RPRNMEDHVKDWOW-KSSFIOAISA-N -1 3 279.339 3.235 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)N[C@@H](c2ccccn2)C2CCC2)n1 ZINC000528660076 288212366 /nfs/dbraw/zinc/21/23/66/288212366.db2.gz PMWFPPISQFNEMW-MLGOLLRUSA-N -1 3 298.390 3.078 20 0 CGADHM CC[C@@H]1CC[C@H](C)N1C(=O)c1c[n-]c2ccc(C)cc2c1=O ZINC000342564639 280334444 /nfs/dbraw/zinc/33/44/44/280334444.db2.gz IGSANCUTVORMSV-QWHCGFSZSA-N -1 3 298.386 3.240 20 0 CGADHM C[C@@H]1[C@@H](C(=O)Nc2c([O-])cccc2Cl)[C@H]1C1CC1 ZINC000529422957 288245577 /nfs/dbraw/zinc/24/55/77/288245577.db2.gz CLCQCAOQNNRNEM-UPZJHPNMSA-N -1 3 265.740 3.276 20 0 CGADHM C[C@H]1[C@@H](C2CC2)[C@H]1C(=O)Nc1c([O-])cccc1Cl ZINC000529422956 288245579 /nfs/dbraw/zinc/24/55/79/288245579.db2.gz CLCQCAOQNNRNEM-QILRFPOHSA-N -1 3 265.740 3.276 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2cccc3c2OCC3(C)C)n1 ZINC000447638474 280920153 /nfs/dbraw/zinc/92/01/53/280920153.db2.gz ZXFSRIMORLPJSW-UHFFFAOYSA-N -1 3 298.342 3.018 20 0 CGADHM CCc1ccc(C(=O)N2C[C@H](C)[C@@H](C)[C@H]2C)c([O-])c1 ZINC000416325568 281399742 /nfs/dbraw/zinc/39/97/42/281399742.db2.gz SSYSBUJNPCIADN-QJPTWQEYSA-N -1 3 261.365 3.071 20 0 CGADHM CCc1cccc(C(=O)N(C)C(C2CC2)C2CC2)c1[O-] ZINC000539839933 288634532 /nfs/dbraw/zinc/63/45/32/288634532.db2.gz CHCDOOAZPYNCMT-UHFFFAOYSA-N -1 3 273.376 3.215 20 0 CGADHM CC1(C)CC[C@H](C(=O)N2CCCc3cccc([O-])c32)C1 ZINC000541063563 288683965 /nfs/dbraw/zinc/68/39/65/288683965.db2.gz BNRNBEYAGMAWEP-ZDUSSCGKSA-N -1 3 273.376 3.498 20 0 CGADHM CCc1ccc([O-])c(C(=O)N(C)C[C@@H]2CC=CCC2)c1 ZINC000544307459 288841039 /nfs/dbraw/zinc/84/10/39/288841039.db2.gz ZWLSJAAXBSHTSG-CQSZACIVSA-N -1 3 273.376 3.383 20 0 CGADHM CC(C)CO[C@H](C)C(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000545246651 288884487 /nfs/dbraw/zinc/88/44/87/288884487.db2.gz QATPEIXUULAWMJ-CHWSQXEVSA-N -1 3 291.391 3.294 20 0 CGADHM O=C(CCCC1CCOCC1)Nc1cccc([O-])c1F ZINC000547405903 288959651 /nfs/dbraw/zinc/95/96/51/288959651.db2.gz QRWQOHFWLLGSKM-UHFFFAOYSA-N -1 3 281.327 3.067 20 0 CGADHM O=C(Nc1cccc2cc[nH]c21)c1cccc([O-])c1 ZINC000548472900 289007460 /nfs/dbraw/zinc/00/74/60/289007460.db2.gz GPIUUZCZRDWDSJ-UHFFFAOYSA-N -1 3 252.273 3.126 20 0 CGADHM C[C@@H]1CCCCCN1C(=O)NCc1ccc([O-])c(F)c1 ZINC000548606910 289013058 /nfs/dbraw/zinc/01/30/58/289013058.db2.gz AMHOTBCDTONUJG-LLVKDONJSA-N -1 3 280.343 3.005 20 0 CGADHM CC1(C)CC(CNCc2c(F)ccc([O-])c2F)C1 ZINC000552193259 289171780 /nfs/dbraw/zinc/17/17/80/289171780.db2.gz MSSXUFCJCKTMDP-UHFFFAOYSA-N -1 3 255.308 3.196 20 0 CGADHM CCc1cc(C(=O)NCc2sccc2C)ccc1[O-] ZINC000553051352 289206608 /nfs/dbraw/zinc/20/66/08/289206608.db2.gz OEFNDRZJOVUITH-UHFFFAOYSA-N -1 3 275.373 3.255 20 0 CGADHM CCc1cc(C(=O)N[C@@H]2CCC[C@H](C)C2)ccc1[O-] ZINC000553300428 289218336 /nfs/dbraw/zinc/21/83/36/289218336.db2.gz KXCNMAZVBXCEQY-SMDDNHRTSA-N -1 3 261.365 3.263 20 0 CGADHM [O-]c1ccc(-c2noc(/C=C/c3cscn3)n2)cc1 ZINC000554025170 289251532 /nfs/dbraw/zinc/25/15/32/289251532.db2.gz RNMLZWAXBIJATR-ZZXKWVIFSA-N -1 3 271.301 3.069 20 0 CGADHM CCc1ccccc1C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000556891543 289418858 /nfs/dbraw/zinc/41/88/58/289418858.db2.gz CPXYIDDLBWPGHQ-UHFFFAOYSA-N -1 3 283.327 3.410 20 0 CGADHM CCc1c(C)sc2[n-]c(-c3ccsn3)nc(=O)c12 ZINC000562781522 289734559 /nfs/dbraw/zinc/73/45/59/289734559.db2.gz ISQLDSPIBJXITD-UHFFFAOYSA-N -1 3 277.374 3.391 20 0 CGADHM C[C@H]1CCCC[C@@H]1NC(=O)c1cc([O-])ccc1Cl ZINC000235573259 290404055 /nfs/dbraw/zinc/40/40/55/290404055.db2.gz KUNUYVAJHJHWCV-ZANVPECISA-N -1 3 267.756 3.354 20 0 CGADHM COc1cc(C(=O)N[C@H]2CCCC[C@@H]2C(C)C)ccc1[O-] ZINC000442956725 294943099 /nfs/dbraw/zinc/94/30/99/294943099.db2.gz KIAWQHGKCAWZJD-KGLIPLIRSA-N -1 3 291.391 3.345 20 0 CGADHM C[C@@H]1C[C@H](C)N(C(=O)c2ccc3c(c2[O-])CCCC3)C1 ZINC000436969387 297366490 /nfs/dbraw/zinc/36/64/90/297366490.db2.gz IJRXJTBFTLAOMO-NEPJUHHUSA-N -1 3 273.376 3.142 20 0 CGADHM Cc1cc(N2C[C@H](C(=O)[O-])C[C@H](C)C2)c2ccccc2n1 ZINC000263266731 301343847 /nfs/dbraw/zinc/34/38/47/301343847.db2.gz VMXSALUIOYGHCC-WCQYABFASA-N -1 3 284.359 3.090 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N2C[C@H](C)[C@H]2c2ccccc2)n1 ZINC000248722412 301374795 /nfs/dbraw/zinc/37/47/95/301374795.db2.gz HAXSNTSIQGCFSY-RBOXIYTFSA-N -1 3 283.375 3.245 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N2CC[C@H](c3ccccc3)[C@@H]2C)n1 ZINC000192617230 301374844 /nfs/dbraw/zinc/37/48/44/301374844.db2.gz LHCUDLMNLYHPRR-DZKIICNBSA-N -1 3 297.402 3.430 20 0 CGADHM O=C(N[C@@H]1CCCOc2ccccc21)c1ccccc1[O-] ZINC000436717479 303851948 /nfs/dbraw/zinc/85/19/48/303851948.db2.gz GCDCCRAJXBSQAH-CQSZACIVSA-N -1 3 283.327 3.036 20 0 CGADHM CCc1cc(N2CCC[C@@H](CC(=O)[O-])C2)c2ccccc2n1 ZINC000563518692 322001560 /nfs/dbraw/zinc/00/15/60/322001560.db2.gz YYHGXZSJHMMDAB-ZDUSSCGKSA-N -1 3 298.386 3.488 20 0 CGADHM O=C(c1cccc([O-])c1)N1CCSC12CCCCC2 ZINC000563734900 322008444 /nfs/dbraw/zinc/00/84/44/322008444.db2.gz TVXGHAWZZNOHBM-UHFFFAOYSA-N -1 3 277.389 3.242 20 0 CGADHM CC(=O)c1cccc(NC(=O)c2cc3ccccn3c2)c1[O-] ZINC000564073319 322019384 /nfs/dbraw/zinc/01/93/84/322019384.db2.gz MGWKJFNEZDKLDZ-UHFFFAOYSA-N -1 3 294.310 3.100 20 0 CGADHM C[C@H]1C[C@@H]1CC(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000564501745 322032650 /nfs/dbraw/zinc/03/26/50/322032650.db2.gz AZORVAJGFADGQS-JGVFFNPUSA-N -1 3 273.254 3.396 20 0 CGADHM C[C@H]1C[C@@H]1c1ccc(CN(CCCC(=O)[O-])C2CC2)o1 ZINC000564752384 322041284 /nfs/dbraw/zinc/04/12/84/322041284.db2.gz KELBNZNYMOXXQP-FZMZJTMJSA-N -1 3 277.364 3.232 20 0 CGADHM CCc1ccc([O-])c(C(=O)NCCCC(C)(C)COC)c1 ZINC000565796608 322091671 /nfs/dbraw/zinc/09/16/71/322091671.db2.gz XUVLJGAGZLNPSF-UHFFFAOYSA-N -1 3 293.407 3.137 20 0 CGADHM C[C@@H]1CCN([C@H](C(=O)[O-])c2cccc(Cl)c2Cl)C1 ZINC000566359785 322118504 /nfs/dbraw/zinc/11/85/04/322118504.db2.gz YGFIRXKGWKTYJM-PELKAZGASA-N -1 3 288.174 3.461 20 0 CGADHM C[C@@H]1CN(Cc2ccc(Cl)cc2F)C[C@@]1(C)C(=O)[O-] ZINC000566368176 322118807 /nfs/dbraw/zinc/11/88/07/322118807.db2.gz TVIGVASAHUTPDD-YMTOWFKASA-N -1 3 285.746 3.022 20 0 CGADHM C[C@@H]1CC(C)(C)CN1Cc1ccc(C(=O)[O-])cc1F ZINC000566683497 322134392 /nfs/dbraw/zinc/13/43/92/322134392.db2.gz DJXYNAGSIKGIDH-SNVBAGLBSA-N -1 3 265.328 3.144 20 0 CGADHM CCc1cccc(C(=O)N(C)[C@@H]2CC[C@H](C)C2)c1[O-] ZINC000567308697 322158140 /nfs/dbraw/zinc/15/81/40/322158140.db2.gz REDSPHQKOUHTSA-WCQYABFASA-N -1 3 261.365 3.215 20 0 CGADHM C[C@H]1CCC[C@H](NC(=O)c2c[n-]nc2-c2ccccn2)CC1 ZINC000567552304 322167494 /nfs/dbraw/zinc/16/74/94/322167494.db2.gz WCBLDNIUWZATFV-STQMWFEESA-N -1 3 298.390 3.170 20 0 CGADHM CCc1cccc(C(=O)N[C@@H](C)c2cccc(O)c2)c1[O-] ZINC000567567086 322168217 /nfs/dbraw/zinc/16/82/17/322168217.db2.gz IWKSMLQIJSKOAT-NSHDSACASA-N -1 3 285.343 3.151 20 0 CGADHM CCc1cc(N2CCC(CC(=O)[O-])CC2)c2ccccc2n1 ZINC000567985527 322186631 /nfs/dbraw/zinc/18/66/31/322186631.db2.gz BAQXEGROXNKWID-UHFFFAOYSA-N -1 3 298.386 3.488 20 0 CGADHM CC1=C(c2ccco2)C[N@H+](Cc2ncccc2[O-])CC1 ZINC000568932919 322228119 /nfs/dbraw/zinc/22/81/19/322228119.db2.gz JMXKPAVXHZEGHM-UHFFFAOYSA-N -1 3 270.332 3.060 20 0 CGADHM CC1=C(c2ccco2)CN(Cc2ncccc2[O-])CC1 ZINC000568932919 322228123 /nfs/dbraw/zinc/22/81/23/322228123.db2.gz JMXKPAVXHZEGHM-UHFFFAOYSA-N -1 3 270.332 3.060 20 0 CGADHM CCCc1coc([N-]C(=O)c2cc(C(C)(C)C)on2)n1 ZINC000569619361 322252343 /nfs/dbraw/zinc/25/23/43/322252343.db2.gz SEVVUHDZDAYICI-UHFFFAOYSA-N -1 3 277.324 3.165 20 0 CGADHM C[C@H]1CN(CCCCCC(=O)[O-])[C@H](c2ccccc2)CO1 ZINC000570099952 322264951 /nfs/dbraw/zinc/26/49/51/322264951.db2.gz DQHRLSKFACXUMD-HOCLYGCPSA-N -1 3 291.391 3.093 20 0 CGADHM CCC[C@@]1(COC)CCCN1Cc1cc(C(=O)[O-])c(C)o1 ZINC000570403403 322272857 /nfs/dbraw/zinc/27/28/57/322272857.db2.gz NHVHDZPASAKCKA-INIZCTEOSA-N -1 3 295.379 3.067 20 0 CGADHM CCS[C@@H]1CC[C@@H](N(C)Cc2ccoc2C(=O)[O-])C1 ZINC000571453275 322299327 /nfs/dbraw/zinc/29/93/27/322299327.db2.gz POBKFZBXXLYRDP-VXGBXAGGSA-N -1 3 283.393 3.084 20 0 CGADHM C[C@@H](NCc1csc(C2CCCCC2)n1)[C@H](C)C(=O)[O-] ZINC000572967984 322363490 /nfs/dbraw/zinc/36/34/90/322363490.db2.gz WRFWVEJFGJRBLA-WDEREUQCSA-N -1 3 296.436 3.390 20 0 CGADHM Cc1nc2ccccc2c(N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)c1C ZINC000575311376 322481227 /nfs/dbraw/zinc/48/12/27/322481227.db2.gz COKIMBRIQRUDIF-ABAIWWIYSA-N -1 3 298.386 3.399 20 0 CGADHM CCO[C@@H]1C[C@H](N(C)Cc2ccsc2C(=O)[O-])C1(C)C ZINC000583446100 327371597 /nfs/dbraw/zinc/37/15/97/327371597.db2.gz OSSWECZODJYKPF-NWDGAFQWSA-N -1 3 297.420 3.082 20 0 CGADHM Cc1ccc(CCC(=O)Nc2cc(F)ccc2[O-])cc1 ZINC000174870491 335168111 /nfs/dbraw/zinc/16/81/11/335168111.db2.gz QFONIOUHBZLBBN-UHFFFAOYSA-N -1 3 273.307 3.411 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])c1ccccc1Cl ZINC000174904282 335169255 /nfs/dbraw/zinc/16/92/55/335169255.db2.gz QNGDOAFALAJOJF-UHFFFAOYSA-N -1 3 265.671 3.437 20 0 CGADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@H]1CCC[C@H](F)C1 ZINC000576945825 335267832 /nfs/dbraw/zinc/26/78/32/335267832.db2.gz OEQJGWFBJDSACB-STQMWFEESA-N -1 3 297.345 3.251 20 0 CGADHM CCS[C@H]1CC[C@@H](N(C)Cc2cc(C(=O)[O-])oc2C)C1 ZINC000577118088 335303476 /nfs/dbraw/zinc/30/34/76/335303476.db2.gz OFUHGJQPIJPKGH-OLZOCXBDSA-N -1 3 297.420 3.392 20 0 CGADHM Cc1oc([C@H](C)N2CC[C@H](C)[C@@H](C)C2)cc1C(=O)[O-] ZINC000577500776 335360202 /nfs/dbraw/zinc/36/02/02/335360202.db2.gz YVQIUOQHYLYFJZ-DCAQKATOSA-N -1 3 265.353 3.325 20 0 CGADHM CC(=O)c1ccc(C(=O)[N-]c2nc(C(C)(C)C)co2)o1 ZINC000577646239 335385344 /nfs/dbraw/zinc/38/53/44/335385344.db2.gz JAXPBZHIFLRVGG-UHFFFAOYSA-N -1 3 276.292 3.020 20 0 CGADHM Cc1ccc(C)c(CN[C@H](CC(=O)[O-])c2ccncc2)c1 ZINC000579252739 335728439 /nfs/dbraw/zinc/72/84/39/335728439.db2.gz CELIHVSRRIEYES-MRXNPFEDSA-N -1 3 284.359 3.004 20 0 CGADHM O=C(CC1(O)CCCCC1)Nc1c([O-])cccc1Cl ZINC000579778901 335881829 /nfs/dbraw/zinc/88/18/29/335881829.db2.gz ZYFCTBBQVUSVNY-UHFFFAOYSA-N -1 3 283.755 3.069 20 0 CGADHM Cc1cccc([C@@H](C)S(=O)(=O)c2cccc([O-])c2)c1 ZINC000183979999 335914424 /nfs/dbraw/zinc/91/44/24/335914424.db2.gz AVHYCXSLIIAYEL-GFCCVEGCSA-N -1 3 276.357 3.236 20 0 CGADHM CCc1cccc(-c2nc(-c3c(C)noc3C)no2)c1[O-] ZINC000580993865 335993546 /nfs/dbraw/zinc/99/35/46/335993546.db2.gz AITFITRDTBSLTO-UHFFFAOYSA-N -1 3 285.303 3.276 20 0 CGADHM Cc1ccc(CCNC(=O)c2ccc(C)c(C)c2[O-])cc1 ZINC000436799854 533802995 /nfs/dbraw/zinc/80/29/95/533802995.db2.gz QTMJRUWLSMSNRS-UHFFFAOYSA-N -1 3 283.371 3.290 20 0 CGADHM Cc1ccc(CN[C@@H](CC(=O)[O-])c2ccsc2)s1 ZINC000426691406 534079831 /nfs/dbraw/zinc/07/98/31/534079831.db2.gz HOHISDAZTJLFEF-LBPRGKRZSA-N -1 3 281.402 3.424 20 0 CGADHM Cc1cc[nH]c1C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000436147477 534157330 /nfs/dbraw/zinc/15/73/30/534157330.db2.gz DBLGHNPVAHLJEO-UHFFFAOYSA-N -1 3 264.712 3.243 20 0 CGADHM Cc1ccc([O-])c(CN(C)Cc2cccc3[nH]ccc32)n1 ZINC000426379469 534193092 /nfs/dbraw/zinc/19/30/92/534193092.db2.gz UCAKTGKCVFAOBL-UHFFFAOYSA-N -1 3 281.359 3.209 20 0 CGADHM Cc1ccc(C(=O)N[C@@H](C(C)C)C(F)(F)F)c([O-])c1C ZINC000436825664 534269079 /nfs/dbraw/zinc/26/90/79/534269079.db2.gz FCQDBROLPJKYGF-LBPRGKRZSA-N -1 3 289.297 3.326 20 0 CGADHM O=C(Nc1cccc(-n2cccc2)c1)c1c([O-])cccc1O ZINC000436647194 534320634 /nfs/dbraw/zinc/32/06/34/534320634.db2.gz KQNJOVKZNHPBKP-UHFFFAOYSA-N -1 3 294.310 3.141 20 0 CGADHM O=C(Nc1ccccc1[O-])c1cccc2cc[nH]c21 ZINC000175082633 534399677 /nfs/dbraw/zinc/39/96/77/534399677.db2.gz TXRRPUKAUNSQBE-UHFFFAOYSA-N -1 3 252.273 3.126 20 0 CGADHM FC(F)(F)c1c[n-]c(=NCCC2CC(F)(F)C2)s1 ZINC000413327729 534412114 /nfs/dbraw/zinc/41/21/14/534412114.db2.gz DKOUORWMTWFPQL-UHFFFAOYSA-N -1 3 286.269 3.431 20 0 CGADHM Cc1ccc2c(c1)N(C(=O)Cc1ccc([O-])c(F)c1)CCC2 ZINC000448956900 534427164 /nfs/dbraw/zinc/42/71/64/534427164.db2.gz QELAXHVYQBCVPS-UHFFFAOYSA-N -1 3 299.345 3.362 20 0 CGADHM CC(C)[C@@H](C)N(C(=O)NCc1ccc([O-])c(F)c1)C1CC1 ZINC000086402556 519790851 /nfs/dbraw/zinc/79/08/51/519790851.db2.gz FJUJPINMNNTYIO-LLVKDONJSA-N -1 3 294.370 3.250 20 0 CGADHM CC(C)[C@H](NCc1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000087761445 519820930 /nfs/dbraw/zinc/82/09/30/519820930.db2.gz CALMOHRQPNEIAM-NSHDSACASA-N -1 3 276.163 3.192 20 0 CGADHM Cc1nsc(C)c1-c1noc(-c2cccc(C)c2[O-])n1 ZINC000436790774 534496891 /nfs/dbraw/zinc/49/68/91/534496891.db2.gz PHOVUFPGWQRKGN-UHFFFAOYSA-N -1 3 287.344 3.491 20 0 CGADHM O=C([O-])C[C@@H](NCc1cccc(F)c1)c1ccsc1 ZINC000426678494 534501890 /nfs/dbraw/zinc/50/18/90/534501890.db2.gz QFDZBCDGRKWAHU-CYBMUJFWSA-N -1 3 279.336 3.193 20 0 CGADHM Cc1cccc(-c2nc(-c3ccc4c(c3)OCO4)no2)c1[O-] ZINC000436890369 534554474 /nfs/dbraw/zinc/55/44/74/534554474.db2.gz ZNOAOYFWALZWPP-UHFFFAOYSA-N -1 3 296.282 3.146 20 0 CGADHM Cc1cccc(C(=O)N2CCC[C@@H](c3ccncc3)C2)c1[O-] ZINC000334895446 534591931 /nfs/dbraw/zinc/59/19/31/534591931.db2.gz SIPMATHHAKDXCE-OAHLLOKOSA-N -1 3 296.370 3.115 20 0 CGADHM Cc1cccc(C(=O)N2CC[C@@]3(CC[C@@H](C)C3)C2)c1[O-] ZINC000436703703 534597615 /nfs/dbraw/zinc/59/76/15/534597615.db2.gz JIMMZPNFEVAOKS-SJKOYZFVSA-N -1 3 273.376 3.353 20 0 CGADHM Cc1cccc(C(=O)NCC(C)(C)Oc2ccccc2)c1[O-] ZINC000436699859 534601008 /nfs/dbraw/zinc/60/10/08/534601008.db2.gz SZMJQIBTFNTGLZ-UHFFFAOYSA-N -1 3 299.370 3.288 20 0 CGADHM Cc1cccc(C(=O)NCC2CCC(F)(F)CC2)c1[O-] ZINC000436509229 534602669 /nfs/dbraw/zinc/60/26/69/534602669.db2.gz AATGZVDBYPGBDO-UHFFFAOYSA-N -1 3 283.318 3.256 20 0 CGADHM Cc1cccc(C(=O)N[C@@H](C)CCc2ccc(O)cc2)c1[O-] ZINC000436604897 534614628 /nfs/dbraw/zinc/61/46/28/534614628.db2.gz OLUOCYAYAVKYIH-ZDUSSCGKSA-N -1 3 299.370 3.157 20 0 CGADHM Cc1cccc(C(=O)N[C@@H]2c3ccccc3C[C@@H]2C)c1[O-] ZINC000436843348 534618167 /nfs/dbraw/zinc/61/81/67/534618167.db2.gz ZZDFSZRETWVIRE-LRDDRELGSA-N -1 3 281.355 3.364 20 0 CGADHM Cc1cncc(/C=C/c2nc(-c3ccc([O-])cc3)no2)c1 ZINC000436530115 534677653 /nfs/dbraw/zinc/67/76/53/534677653.db2.gz DAWLHTFWXYGQCB-FARCUNLSSA-N -1 3 279.299 3.316 20 0 CGADHM O=C(NCc1coc2ccccc12)c1ccccc1[O-] ZINC000436547300 534696656 /nfs/dbraw/zinc/69/66/56/534696656.db2.gz JPPAKNCMDBVVID-UHFFFAOYSA-N -1 3 267.284 3.068 20 0 CGADHM Cc1ccc(C)c(C[S@@](=O)c2ccc([O-])cc2)c1 ZINC000108083574 524110832 /nfs/dbraw/zinc/11/08/32/524110832.db2.gz NAGGSFITSXNHLS-SFHVURJKSA-N -1 3 260.358 3.317 20 0 CGADHM C[C@H](CCC(=O)[O-])NCc1c(Cl)cccc1Cl ZINC000309772434 524122692 /nfs/dbraw/zinc/12/26/92/524122692.db2.gz HVOQNGQWNPHHGE-MRVPVSSYSA-N -1 3 276.163 3.336 20 0 CGADHM C[C@@H]1CC[C@@H](C)N(C(=O)Cc2ccc([O-])cc2Cl)C1 ZINC000155516800 524570850 /nfs/dbraw/zinc/57/08/50/524570850.db2.gz NWPCAWUIMVYMBD-GHMZBOCLSA-N -1 3 281.783 3.235 20 0 CGADHM Cc1ccn(C)c1C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000439345873 534854092 /nfs/dbraw/zinc/85/40/92/534854092.db2.gz YEAWVAUYMUHKGO-UHFFFAOYSA-N -1 3 298.264 3.310 20 0 CGADHM C=Cc1ccc(CCNC(=O)c2cccc([O-])c2)cc1 ZINC000428289526 526272692 /nfs/dbraw/zinc/27/26/92/526272692.db2.gz UKROJJAVZXMNIK-UHFFFAOYSA-N -1 3 267.328 3.008 20 0 CGADHM CC(C)(C)c1ccc(NC(=O)[C@]2(C)C[C@@H]2F)c([O-])c1 ZINC000424827387 526781898 /nfs/dbraw/zinc/78/18/98/526781898.db2.gz QUCWTAOGPTWHRH-SWLSCSKDSA-N -1 3 265.328 3.376 20 0 CGADHM O=[S@@](Cc1ccc(OC(F)F)cc1)c1ccc([O-])cc1 ZINC000108082798 527421362 /nfs/dbraw/zinc/42/13/62/527421362.db2.gz LEZAEQWKGOTDMA-HXUWFJFHSA-N -1 3 298.310 3.301 20 0 CGADHM CC(C)(C)CCCCNC(=O)c1c([O-])cccc1O ZINC000436646462 527660471 /nfs/dbraw/zinc/66/04/71/527660471.db2.gz GQTZJMBFKVIBRN-UHFFFAOYSA-N -1 3 265.353 3.044 20 0 CGADHM CCC[C@@H]1CCC[C@H]1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000448855785 527762097 /nfs/dbraw/zinc/76/20/97/527762097.db2.gz FWBLSQDWFKRXGS-BXUZGUMPSA-N -1 3 299.378 3.022 20 0 CGADHM CCC[C@@H]1CCC[C@H]1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000448855785 527762099 /nfs/dbraw/zinc/76/20/99/527762099.db2.gz FWBLSQDWFKRXGS-BXUZGUMPSA-N -1 3 299.378 3.022 20 0 CGADHM CC1(C[N-]S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000358891037 527987325 /nfs/dbraw/zinc/98/73/25/527987325.db2.gz XISUCRDVJGBYFL-UHFFFAOYSA-N -1 3 294.203 3.072 20 0 CGADHM CC(C)[C@@H](C)SCc1cc(=O)[n-]c(C2CC2)n1 ZINC000413004126 528422373 /nfs/dbraw/zinc/42/23/73/528422373.db2.gz YGKPYBOQAAXPFK-SECBINFHSA-N -1 3 252.383 3.337 20 0 CGADHM CCCc1cc(C(=O)Nc2cc(F)ccc2[O-])ccn1 ZINC000436977599 528595690 /nfs/dbraw/zinc/59/56/90/528595690.db2.gz FXQNUZXSSIHFCG-UHFFFAOYSA-N -1 3 274.295 3.131 20 0 CGADHM CCC(C)(CC)[N-]S(=O)(=O)c1cc(C)c(F)cc1F ZINC000440389115 528615545 /nfs/dbraw/zinc/61/55/45/528615545.db2.gz JVRLNRCUPCCNEC-UHFFFAOYSA-N -1 3 291.363 3.130 20 0 CGADHM CCOCCSCc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000413001876 528859480 /nfs/dbraw/zinc/85/94/80/528859480.db2.gz SPYJKYBSANDVPE-UHFFFAOYSA-N -1 3 290.388 3.119 20 0 CGADHM CCC1(C(=O)Nc2nnc(-c3ccco3)[n-]2)CCCCC1 ZINC000411299331 529015517 /nfs/dbraw/zinc/01/55/17/529015517.db2.gz UHTJOGGSSOSPMI-UHFFFAOYSA-N -1 3 288.351 3.364 20 0 CGADHM CCC1(C(=O)Nc2nc(-c3ccco3)n[n-]2)CCCCC1 ZINC000411299331 529015523 /nfs/dbraw/zinc/01/55/23/529015523.db2.gz UHTJOGGSSOSPMI-UHFFFAOYSA-N -1 3 288.351 3.364 20 0 CGADHM CCC1(C(=O)Nc2n[n-]c(-c3ccco3)n2)CCCCC1 ZINC000411299331 529015530 /nfs/dbraw/zinc/01/55/30/529015530.db2.gz UHTJOGGSSOSPMI-UHFFFAOYSA-N -1 3 288.351 3.364 20 0 CGADHM CCN(C(=O)c1cccc(C)c1[O-])C1CC(C)(C)C1 ZINC000412847373 529088926 /nfs/dbraw/zinc/08/89/26/529088926.db2.gz YCCUZHQLLCUXPL-UHFFFAOYSA-N -1 3 261.365 3.351 20 0 CGADHM CCS[C@@H]1CCC[C@@H]1NC(=O)c1ccc([O-])c(CC)c1 ZINC000436653490 529214370 /nfs/dbraw/zinc/21/43/70/529214370.db2.gz FHFSJZXWQGKARK-DZGCQCFKSA-N -1 3 293.432 3.359 20 0 CGADHM CC[C@@H]1CCCC[C@@H]1NC(=O)Cc1ccc([O-])c(F)c1 ZINC000448691032 529281335 /nfs/dbraw/zinc/28/13/35/529281335.db2.gz OGJTYJZTBRQWHL-OCCSQVGLSA-N -1 3 279.355 3.159 20 0 CGADHM CC(C)[C@H](C)C(=O)Nc1nnc(-c2cc3ccccc3o2)[n-]1 ZINC000485113747 534926285 /nfs/dbraw/zinc/92/62/85/534926285.db2.gz OOKAWVJVEDBWSG-JTQLQIEISA-N -1 3 298.346 3.449 20 0 CGADHM CC(C)[C@H](C)C(=O)Nc1nc(-c2cc3ccccc3o2)n[n-]1 ZINC000485113747 534926291 /nfs/dbraw/zinc/92/62/91/534926291.db2.gz OOKAWVJVEDBWSG-JTQLQIEISA-N -1 3 298.346 3.449 20 0 CGADHM CC(C)[C@H](C)C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000485113747 534926296 /nfs/dbraw/zinc/92/62/96/534926296.db2.gz OOKAWVJVEDBWSG-JTQLQIEISA-N -1 3 298.346 3.449 20 0 CGADHM CC[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000512031382 535645649 /nfs/dbraw/zinc/64/56/49/535645649.db2.gz PFKUZNRBMAQGLL-RKDXNWHRSA-N -1 3 293.791 3.192 20 0 CGADHM CCc1cc(C(=O)N2CC[C@H](C)C[C@H](C)C2)ccc1[O-] ZINC000486912896 536113421 /nfs/dbraw/zinc/11/34/21/536113421.db2.gz KSSRHQLLFSTBLS-STQMWFEESA-N -1 3 275.392 3.463 20 0 CGADHM CC[C@H](C)CNCc1cccc([O-])c1Br ZINC000315079516 536129702 /nfs/dbraw/zinc/12/97/02/536129702.db2.gz SZNHQVAKCQIWGT-VIFPVBQESA-N -1 3 272.186 3.290 20 0 CGADHM COc1cc(C)cc(C(=O)Nc2cc(C3CC3)ccn2)c1[O-] ZINC000518271377 536632875 /nfs/dbraw/zinc/63/28/75/536632875.db2.gz GXACCWSIKKQRCP-UHFFFAOYSA-N -1 3 298.342 3.234 20 0 CGADHM COc1ccc(NC(=O)c2ccc(C)c3c2CCC3)c([O-])c1 ZINC000451023120 571717602 /nfs/dbraw/zinc/71/76/02/571717602.db2.gz DHIXGAJAFYUGBG-UHFFFAOYSA-N -1 3 297.354 3.450 20 0 CGADHM COc1ccc(NC(=O)[C@@H]2CCCCC2(F)F)c([O-])c1 ZINC000451023133 571717676 /nfs/dbraw/zinc/71/76/76/571717676.db2.gz DPMHSNDTCFOVSD-JTQLQIEISA-N -1 3 285.290 3.165 20 0 CGADHM CCSCCOC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000727630480 571757935 /nfs/dbraw/zinc/75/79/35/571757935.db2.gz QTUYLPLTKBVPRE-UHFFFAOYSA-N -1 3 268.165 3.231 20 0 CGADHM C[C@@H]1CCN(C(=O)Cc2ccco2)c2c([O-])cccc21 ZINC000274402349 572331850 /nfs/dbraw/zinc/33/18/50/572331850.db2.gz SRDWNIOLABGVHT-LLVKDONJSA-N -1 3 271.316 3.068 20 0 CGADHM Cc1ccc([C@H]2CCCN2c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000737328328 572337008 /nfs/dbraw/zinc/33/70/08/572337008.db2.gz BGOCLELCXLWBIS-CQSZACIVSA-N -1 3 295.346 3.110 20 0 CGADHM Cc1ccc([C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000737328328 572337010 /nfs/dbraw/zinc/33/70/10/572337010.db2.gz BGOCLELCXLWBIS-CQSZACIVSA-N -1 3 295.346 3.110 20 0 CGADHM Cc1ccccc1CN[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000738773306 572392179 /nfs/dbraw/zinc/39/21/79/572392179.db2.gz TVIRZMPQRGJHHF-OAHLLOKOSA-N -1 3 273.307 3.050 20 0 CGADHM C[C@H](CCNCc1ccc(Cl)cc1Cl)NC(=O)[O-] ZINC000738903067 572396900 /nfs/dbraw/zinc/39/69/00/572396900.db2.gz FOEIJUVXAARRFB-MRVPVSSYSA-N -1 3 291.178 3.129 20 0 CGADHM C[C@@H](NC(=O)[O-])C1CCN(Cc2ccccc2Cl)CC1 ZINC000739014481 572398469 /nfs/dbraw/zinc/39/84/69/572398469.db2.gz JWKDDBDPNCFVFD-LLVKDONJSA-N -1 3 296.798 3.208 20 0 CGADHM C[C@H]1C[C@@H]1c1ccc(CNC2CCC(NC(=O)[O-])CC2)o1 ZINC000739087247 572401715 /nfs/dbraw/zinc/40/17/15/572401715.db2.gz HKALYRYNALNKSN-BBCYWQGDSA-N -1 3 292.379 3.071 20 0 CGADHM C[C@H](NC[C@H]1CCCN(C(=O)[O-])C1)c1c(F)cccc1F ZINC000739037734 572415781 /nfs/dbraw/zinc/41/57/81/572415781.db2.gz YHWQBWBDKZLWFE-WDEREUQCSA-N -1 3 298.333 3.005 20 0 CGADHM O=C([O-])[C@H](NCc1ccc(F)c(F)c1)c1ccc(F)cc1 ZINC000739501210 572417566 /nfs/dbraw/zinc/41/75/66/572417566.db2.gz UISAYKDIJMQSQB-CQSZACIVSA-N -1 3 295.260 3.019 20 0 CGADHM O=C([O-])[C@H](c1ccc(F)cc1)N1CCCc2ccccc2C1 ZINC000739519137 572418512 /nfs/dbraw/zinc/41/85/12/572418512.db2.gz VXHKSSWDEPTTHJ-KRWDZBQOSA-N -1 3 299.345 3.400 20 0 CGADHM O=C([O-])c1ccc(CN2CC[C@@H](c3ccccc3F)C2)o1 ZINC000740124384 572432856 /nfs/dbraw/zinc/43/28/56/572432856.db2.gz RNMXKHHJVLFALN-LLVKDONJSA-N -1 3 289.306 3.106 20 0 CGADHM O=C([O-])c1coc(CN2CC[C@@H](c3cccc(F)c3)C2)c1 ZINC000740268219 572437994 /nfs/dbraw/zinc/43/79/94/572437994.db2.gz DZNGGKHLVFWKKI-GFCCVEGCSA-N -1 3 289.306 3.106 20 0 CGADHM O=C([O-])NC1CCC(NCc2cc3ccccc3o2)CC1 ZINC000740560118 572446382 /nfs/dbraw/zinc/44/63/82/572446382.db2.gz VFXIOWLNTHSZCP-UHFFFAOYSA-N -1 3 288.347 3.101 20 0 CGADHM CCc1cnc(CO[N-]C(=O)CCC2CCCCC2)o1 ZINC000742357863 572565984 /nfs/dbraw/zinc/56/59/84/572565984.db2.gz SLCBGAJUCYAHNP-UHFFFAOYSA-N -1 3 280.368 3.145 20 0 CGADHM C[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)s1)C(C)(C)C ZINC000734498780 572661074 /nfs/dbraw/zinc/66/10/74/572661074.db2.gz WQFCPKXLVUIYPY-QMMMGPOBSA-N -1 3 295.857 3.362 20 0 CGADHM CCCn1cc(NC(=O)c2cc3c(cc2[O-])CCCC3)cn1 ZINC000743720138 572681348 /nfs/dbraw/zinc/68/13/48/572681348.db2.gz RSLRPXGFEJTZLZ-UHFFFAOYSA-N -1 3 299.374 3.130 20 0 CGADHM CC(C)C[C@](C)(CNC(=O)[O-])NCc1ccc(Cl)o1 ZINC000738803247 572721861 /nfs/dbraw/zinc/72/18/61/572721861.db2.gz ARLQTQGIDCSLON-CYBMUJFWSA-N -1 3 288.775 3.095 20 0 CGADHM CC(C)(C)CCNc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000735602072 572732752 /nfs/dbraw/zinc/73/27/52/572732752.db2.gz LGFDVLQYTWCTHE-UHFFFAOYSA-N -1 3 279.775 3.368 20 0 CGADHM CC(C)(C)CCNc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000735602072 572732756 /nfs/dbraw/zinc/73/27/56/572732756.db2.gz LGFDVLQYTWCTHE-UHFFFAOYSA-N -1 3 279.775 3.368 20 0 CGADHM C[C@H](CC1CCCC1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000735984829 572756879 /nfs/dbraw/zinc/75/68/79/572756879.db2.gz HBBUYEDREMLWAJ-LLVKDONJSA-N -1 3 299.378 3.022 20 0 CGADHM C[C@H](CC1CCCC1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000735984829 572756883 /nfs/dbraw/zinc/75/68/83/572756883.db2.gz HBBUYEDREMLWAJ-LLVKDONJSA-N -1 3 299.378 3.022 20 0 CGADHM C[C@@H]1CC[C@@H](Nc2ccc(-c3nnn[n-]3)cc2)[C@H](C)C1 ZINC000736242172 572774205 /nfs/dbraw/zinc/77/42/05/572774205.db2.gz PXLZYURHAMUFGB-JTNHKYCSSA-N -1 3 271.368 3.103 20 0 CGADHM C[C@@H]1CC[C@@H](Nc2ccc(-c3nn[n-]n3)cc2)[C@H](C)C1 ZINC000736242172 572774207 /nfs/dbraw/zinc/77/42/07/572774207.db2.gz PXLZYURHAMUFGB-JTNHKYCSSA-N -1 3 271.368 3.103 20 0 CGADHM C[C@@H]1CCC[C@H]1Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000736262619 572778267 /nfs/dbraw/zinc/77/82/67/572778267.db2.gz NLWJJKXLZVAZGF-LDYMZIIASA-N -1 3 277.759 3.121 20 0 CGADHM C[C@@H]1CCC[C@H]1Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000736262619 572778272 /nfs/dbraw/zinc/77/82/72/572778272.db2.gz NLWJJKXLZVAZGF-LDYMZIIASA-N -1 3 277.759 3.121 20 0 CGADHM CCCCCSCc1ccc(F)cc1-c1nnn[n-]1 ZINC000736451640 572794422 /nfs/dbraw/zinc/79/44/22/572794422.db2.gz PMEOFYFGSHHTGT-UHFFFAOYSA-N -1 3 280.372 3.429 20 0 CGADHM C[C@H](N[C@@H]1CCCN(C(=O)[O-])C1)c1ccccc1Cl ZINC000736661037 572803246 /nfs/dbraw/zinc/80/32/46/572803246.db2.gz CNCRTZSPJBZJHL-WDEREUQCSA-N -1 3 282.771 3.133 20 0 CGADHM O=C(C[C@H]1C=CCC1)Nc1ccc(Br)cc1[O-] ZINC000075472676 572878203 /nfs/dbraw/zinc/87/82/03/572878203.db2.gz IDKIGXOGIXNXHI-VIFPVBQESA-N -1 3 296.164 3.450 20 0 CGADHM CCc1ccc(CO[N-]C(=O)Cc2ccc(C)cc2)cc1 ZINC000747832408 572951185 /nfs/dbraw/zinc/95/11/85/572951185.db2.gz SHHWQRATVRVCDW-UHFFFAOYSA-N -1 3 283.371 3.348 20 0 CGADHM Cc1cc(C)cc([C@@H](C)[N-]C(=O)C(F)(F)C(F)F)c1 ZINC000749381836 572995566 /nfs/dbraw/zinc/99/55/66/572995566.db2.gz IXEZYROJADKDNI-SECBINFHSA-N -1 3 277.261 3.381 20 0 CGADHM O=C([N-]c1cnoc1)c1cc2c(cccc2F)s1 ZINC000749557530 573018023 /nfs/dbraw/zinc/01/80/23/573018023.db2.gz QNMSEMZBZHQHMP-UHFFFAOYSA-N -1 3 262.265 3.281 20 0 CGADHM O=C(OCCOC1CCC1)c1cc(Cl)c(Cl)[n-]1 ZINC000750770839 573173889 /nfs/dbraw/zinc/17/38/89/573173889.db2.gz SWDJZPPZNAXNDL-UHFFFAOYSA-N -1 3 278.135 3.047 20 0 CGADHM O=C(Nc1ccc2c(c1)OCCCO2)c1cc2occc2[n-]1 ZINC000750809353 573181520 /nfs/dbraw/zinc/18/15/20/573181520.db2.gz YRFVZHBIWJTSAA-UHFFFAOYSA-N -1 3 298.298 3.175 20 0 CGADHM Cc1sc(C(=O)[O-])cc1CN1CCSC(C)(C)C1 ZINC000158881825 601658474 /nfs/dbraw/zinc/65/84/74/601658474.db2.gz JDWGVCRKAASHBG-UHFFFAOYSA-N -1 3 285.434 3.082 20 0 CGADHM FC(F)(F)c1cc(NCCC2CC2)ccc1-c1nnn[n-]1 ZINC000822723799 599078338 /nfs/dbraw/zinc/07/83/38/599078338.db2.gz OTANJMNSMIJEOE-UHFFFAOYSA-N -1 3 297.284 3.098 20 0 CGADHM FC(F)(F)c1cc(NCCC2CC2)ccc1-c1nn[n-]n1 ZINC000822723799 599078341 /nfs/dbraw/zinc/07/83/41/599078341.db2.gz OTANJMNSMIJEOE-UHFFFAOYSA-N -1 3 297.284 3.098 20 0 CGADHM Cc1cccc2c1OCC[C@@H]2NCc1ccc(C(=O)[O-])cc1 ZINC000818954208 597245421 /nfs/dbraw/zinc/24/54/21/597245421.db2.gz VYWGWTKDFMHWMI-INIZCTEOSA-N -1 3 297.354 3.307 20 0 CGADHM C[C@@H](NCc1ccc(C(=O)[O-])cc1)c1ccc(Cl)nc1 ZINC000820142082 597453371 /nfs/dbraw/zinc/45/33/71/597453371.db2.gz NPIFBUYZNCYNIS-SNVBAGLBSA-N -1 3 290.750 3.284 20 0 CGADHM Cc1ccc([C@@H](C)NCc2ccc(C(=O)[O-])cc2)c(C)n1 ZINC000821070318 598160565 /nfs/dbraw/zinc/16/05/65/598160565.db2.gz VZKJWKUFTVOAEN-GFCCVEGCSA-N -1 3 284.359 3.247 20 0 CGADHM COc1ccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821835386 599363615 /nfs/dbraw/zinc/36/36/15/599363615.db2.gz JDBJAKGGMCRBCZ-NSHDSACASA-N -1 3 295.346 3.048 20 0 CGADHM COc1ccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821835386 599363616 /nfs/dbraw/zinc/36/36/16/599363616.db2.gz JDBJAKGGMCRBCZ-NSHDSACASA-N -1 3 295.346 3.048 20 0 CGADHM CCC[C@@](C)(NCc1cc(-c2cccs2)on1)C(=O)[O-] ZINC000036808391 600322400 /nfs/dbraw/zinc/32/24/00/600322400.db2.gz HELCPTHQFKCUTG-CQSZACIVSA-N -1 3 294.376 3.136 20 0 CGADHM CC[C@H](NCc1ccc(C(=O)[O-])o1)c1ccccc1 ZINC000071396255 600523732 /nfs/dbraw/zinc/52/37/32/600523732.db2.gz BRUWHYCHHQVPHI-ZDUSSCGKSA-N -1 3 259.305 3.219 20 0 CGADHM CCCN(CCC)[C@@H](C)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC000829492289 600996815 /nfs/dbraw/zinc/99/68/15/600996815.db2.gz ZEKNXJBQTLKLPO-LBPRGKRZSA-N -1 3 294.395 3.023 20 0 CGADHM C[C@H]1Cc2ccccc2[C@@H]1NCc1ccc(NC(=O)[O-])nc1 ZINC000826093286 603552050 /nfs/dbraw/zinc/55/20/50/603552050.db2.gz BWFDZXSLEQGJER-MEDUHNTESA-N -1 3 297.358 3.195 20 0 CGADHM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(c2ccnc3ccccc32)C1 ZINC000825281141 604058001 /nfs/dbraw/zinc/05/80/01/604058001.db2.gz QSKHFUFWUFZSJI-CHWSQXEVSA-N -1 3 299.374 3.107 20 0 CGADHM C[C@@H](N[C@H]1CCCN(C(=O)[O-])C1)c1cc2ccccc2o1 ZINC000827717305 604292408 /nfs/dbraw/zinc/29/24/08/604292408.db2.gz GEYLULGMQGROME-YPMHNXCESA-N -1 3 288.347 3.226 20 0 CGADHM C[C@H](N[C@H]1CCCN(C(=O)[O-])C1)c1cc2ccccc2o1 ZINC000827717301 604292535 /nfs/dbraw/zinc/29/25/35/604292535.db2.gz GEYLULGMQGROME-AAEUAGOBSA-N -1 3 288.347 3.226 20 0 CGADHM O=C([O-])c1cc(CN2CCCCC[C@@H]2c2ccncc2)c[nH]1 ZINC000833779834 604517328 /nfs/dbraw/zinc/51/73/28/604517328.db2.gz OEGRSMFGZGLRDW-MRXNPFEDSA-N -1 3 299.374 3.225 20 0 CGADHM O=C([O-])c1cc(CN2CCC[C@H]2c2ccsc2)c[nH]1 ZINC000833779167 604536112 /nfs/dbraw/zinc/53/61/12/604536112.db2.gz JVCNOAOBDXCXGV-ZDUSSCGKSA-N -1 3 276.361 3.112 20 0 CGADHM CN(Cc1c[nH]c(C(=O)[O-])c1)Cc1cc2ccccc2o1 ZINC000833694618 604663225 /nfs/dbraw/zinc/66/32/25/604663225.db2.gz PMHGEIJOWMPBRM-UHFFFAOYSA-N -1 3 284.315 3.091 20 0 CGADHM Cc1cccc([C@H](C)N[C@H](C(=O)[O-])c2cccnc2)c1C ZINC000832965876 605002355 /nfs/dbraw/zinc/00/23/55/605002355.db2.gz GSCSDKGPFSCQKN-BBRMVZONSA-N -1 3 284.359 3.175 20 0 CGADHM Cc1cccc(C2=CCN(Cc3c[nH]c(C(=O)[O-])c3)CC2)c1 ZINC000833752383 605729402 /nfs/dbraw/zinc/72/94/02/605729402.db2.gz IGMCHNCOIADYGC-UHFFFAOYSA-N -1 3 296.370 3.311 20 0 CGADHM CC(C)Cc1ncc(CN(C[C@H](C)C(=O)[O-])C2CC2)s1 ZINC000833491911 605750554 /nfs/dbraw/zinc/75/05/54/605750554.db2.gz AINFSHIQRIROKY-NSHDSACASA-N -1 3 296.436 3.027 20 0 CGADHM O=C([O-])N[C@H]1C[C@H](NCc2ccccc2)c2ccccc21 ZINC000834159049 605790291 /nfs/dbraw/zinc/79/02/91/605790291.db2.gz QZYLVWXVPWTBEJ-HOTGVXAUSA-N -1 3 282.343 3.230 20 0 CGADHM C(=Cc1nc2ccccc2o1)c1cc(-c2nnn[n-]2)cs1 ZINC000819710119 606303267 /nfs/dbraw/zinc/30/32/67/606303267.db2.gz WOZUIGAWQMNIKV-WAYWQWQTSA-N -1 3 295.327 3.240 20 0 CGADHM C(=Cc1nc2ccccc2o1)c1cc(-c2nn[n-]n2)cs1 ZINC000819710119 606303269 /nfs/dbraw/zinc/30/32/69/606303269.db2.gz WOZUIGAWQMNIKV-WAYWQWQTSA-N -1 3 295.327 3.240 20 0 CGADHM Clc1ccc(NCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822578826 606632665 /nfs/dbraw/zinc/63/26/65/606632665.db2.gz QGYXVOMKZZUCIP-UHFFFAOYSA-N -1 3 285.738 3.132 20 0 CGADHM Clc1ccc(NCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822578826 606632666 /nfs/dbraw/zinc/63/26/66/606632666.db2.gz QGYXVOMKZZUCIP-UHFFFAOYSA-N -1 3 285.738 3.132 20 0 CGADHM FC1(F)CC[C@H](Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000822736913 606881436 /nfs/dbraw/zinc/88/14/36/606881436.db2.gz MPCQXCIPDZAZRB-QMMMGPOBSA-N -1 3 299.712 3.120 20 0 CGADHM FC1(F)CC[C@H](Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000822736913 606881438 /nfs/dbraw/zinc/88/14/38/606881438.db2.gz MPCQXCIPDZAZRB-QMMMGPOBSA-N -1 3 299.712 3.120 20 0 CGADHM c1c2ccccc2oc1COc1cccc(-c2nnn[n-]2)c1 ZINC000823762620 607133947 /nfs/dbraw/zinc/13/39/47/607133947.db2.gz QMAGWFDIZMPMIP-UHFFFAOYSA-N -1 3 292.298 3.192 20 0 CGADHM c1c2ccccc2oc1COc1cccc(-c2nn[n-]n2)c1 ZINC000823762620 607133948 /nfs/dbraw/zinc/13/39/48/607133948.db2.gz QMAGWFDIZMPMIP-UHFFFAOYSA-N -1 3 292.298 3.192 20 0 CGADHM Cc1ccccc1[C@@H](C)Sc1ccc(-c2nnn[n-]2)cn1 ZINC000822344901 607161351 /nfs/dbraw/zinc/16/13/51/607161351.db2.gz CQWKYPZMBNLTCZ-LLVKDONJSA-N -1 3 297.387 3.423 20 0 CGADHM Cc1ccccc1[C@@H](C)Sc1ccc(-c2nn[n-]n2)cn1 ZINC000822344901 607161353 /nfs/dbraw/zinc/16/13/53/607161353.db2.gz CQWKYPZMBNLTCZ-LLVKDONJSA-N -1 3 297.387 3.423 20 0 CGADHM C[C@@H]1CCC[C@@H]1Nc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000824936874 608226848 /nfs/dbraw/zinc/22/68/48/608226848.db2.gz MPVDCPYACSAZAS-MFKMUULPSA-N -1 3 294.362 3.015 20 0 CGADHM C[C@@H]1CCC[C@@H]1Nc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000824936874 608226849 /nfs/dbraw/zinc/22/68/49/608226849.db2.gz MPVDCPYACSAZAS-MFKMUULPSA-N -1 3 294.362 3.015 20 0 CGADHM CCCCSCc1cccc(-c2nnn[n-]2)c1F ZINC000825296463 608404195 /nfs/dbraw/zinc/40/41/95/608404195.db2.gz JYJGWMRWIAQLLQ-UHFFFAOYSA-N -1 3 266.345 3.039 20 0 CGADHM CCCCSCc1cccc(-c2nn[n-]n2)c1F ZINC000825296463 608404197 /nfs/dbraw/zinc/40/41/97/608404197.db2.gz JYJGWMRWIAQLLQ-UHFFFAOYSA-N -1 3 266.345 3.039 20 0 CGADHM Cc1cscc1N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826320903 609249147 /nfs/dbraw/zinc/24/91/47/609249147.db2.gz JHBQJDWBCIXZLH-SNVBAGLBSA-N -1 3 285.376 3.410 20 0 CGADHM Cc1cscc1N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826320903 609249149 /nfs/dbraw/zinc/24/91/49/609249149.db2.gz JHBQJDWBCIXZLH-SNVBAGLBSA-N -1 3 285.376 3.410 20 0 CGADHM Cc1cccc(CCCOc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826297407 609383092 /nfs/dbraw/zinc/38/30/92/609383092.db2.gz GSGZJFIWTXZSDR-UHFFFAOYSA-N -1 3 294.358 3.187 20 0 CGADHM Cc1cc(C=Cc2ccc(-c3nnn[n-]3)cn2)ccc1Cl ZINC000826266180 609506865 /nfs/dbraw/zinc/50/68/65/609506865.db2.gz FUGKYOIUDNMFBV-GORDUTHDSA-N -1 3 297.749 3.394 20 0 CGADHM Cc1cc(C=Cc2ccc(-c3nn[n-]n3)cn2)ccc1Cl ZINC000826266180 609506866 /nfs/dbraw/zinc/50/68/66/609506866.db2.gz FUGKYOIUDNMFBV-GORDUTHDSA-N -1 3 297.749 3.394 20 0 CGADHM Cc1ccc(CC(=O)[N-]OC/C=C\c2ccccc2)cc1 ZINC000255241190 618131961 /nfs/dbraw/zinc/13/19/61/618131961.db2.gz STFRHKNTJZCTAD-YVMONPNESA-N -1 3 281.355 3.299 20 0 CGADHM Cc1cc([C@H]2CCCN2Cc2ccc([O-])c(F)c2)on1 ZINC000891718816 618257758 /nfs/dbraw/zinc/25/77/58/618257758.db2.gz OLLGFDZPYZWZOF-CYBMUJFWSA-N -1 3 276.311 3.165 20 0 CGADHM C[C@H]1CSCCN1Cc1c([O-])ccc(Cl)c1F ZINC000191361703 618772615 /nfs/dbraw/zinc/77/26/15/618772615.db2.gz YXUYURXBWCQVFC-QMMMGPOBSA-N -1 3 275.776 3.122 20 0 CGADHM Cc1cc(O)ccc1NC(=O)c1cc([O-])ccc1Cl ZINC000235744647 618823002 /nfs/dbraw/zinc/82/30/02/618823002.db2.gz OUZUHLVFDPHNPO-UHFFFAOYSA-N -1 3 277.707 3.312 20 0 CGADHM COCC[C@H](C)OC(=O)c1cccc2[n-]c(C(F)F)nc21 ZINC000924080395 618848684 /nfs/dbraw/zinc/84/86/84/618848684.db2.gz SMGCDBUTNGXQHW-QMMMGPOBSA-N -1 3 298.289 3.082 20 0 CGADHM O=C(NCc1ccc([O-])c(F)c1)N[C@H]1CCCC2(CC2)C1 ZINC000893113488 618998049 /nfs/dbraw/zinc/99/80/49/618998049.db2.gz JHYUPGPJRKVEFU-LBPRGKRZSA-N -1 3 292.354 3.053 20 0 CGADHM O=C(NCc1ccc([O-])c(F)c1)N[C@@H]1CCCC2(CC2)C1 ZINC000893113487 618998158 /nfs/dbraw/zinc/99/81/58/618998158.db2.gz JHYUPGPJRKVEFU-GFCCVEGCSA-N -1 3 292.354 3.053 20 0 CGADHM Cc1cccc(CCC(=O)[N-]OCc2ccccc2)c1 ZINC000053759261 619150160 /nfs/dbraw/zinc/15/01/60/619150160.db2.gz DLGSOIZVRPIBDZ-UHFFFAOYSA-N -1 3 269.344 3.176 20 0 CGADHM O=C(/C=C/c1ccccc1Cl)Nc1ncccc1[O-] ZINC000218394301 619239458 /nfs/dbraw/zinc/23/94/58/619239458.db2.gz MLMFDESLOSPKHB-BQYQJAHWSA-N -1 3 274.707 3.093 20 0 CGADHM CC(C)Cc1coc([N-]C(=O)c2cc(C(C)C)no2)n1 ZINC000894441006 619533336 /nfs/dbraw/zinc/53/33/36/619533336.db2.gz CHZVODOEWKOZJM-UHFFFAOYSA-N -1 3 277.324 3.237 20 0 CGADHM CCOc1cc(CN[C@@H](C)C(F)F)cc(Cl)c1[O-] ZINC000895725938 619876247 /nfs/dbraw/zinc/87/62/47/619876247.db2.gz VTNUFXSJQWCFDG-ZETCQYMHSA-N -1 3 279.714 3.188 20 0 CGADHM Cc1c[nH]c(-c2noc(-c3ccc(C(C)C)cc3[O-])n2)n1 ZINC000896934754 620106530 /nfs/dbraw/zinc/10/65/30/620106530.db2.gz SYRLKLVDBBTIOZ-UHFFFAOYSA-N -1 3 284.319 3.264 20 0 CGADHM O=C(C[C@@H]1CCC2(CCC2)O1)Nc1ccc(Cl)cc1[O-] ZINC000897192730 620157568 /nfs/dbraw/zinc/15/75/68/620157568.db2.gz JWZQNZYJVUIXLT-NSHDSACASA-N -1 3 295.766 3.476 20 0 CGADHM O=C(Nc1c([O-])cccc1Cl)[C@H]1CCOC2(CCC2)C1 ZINC000897844852 620439183 /nfs/dbraw/zinc/43/91/83/620439183.db2.gz BGSTWVUFFWZQJX-JTQLQIEISA-N -1 3 295.766 3.333 20 0 CGADHM O=C(C[C@@H]1CCC2(CCC2)CO1)Nc1cccc([O-])c1F ZINC000901241815 620845622 /nfs/dbraw/zinc/84/56/22/620845622.db2.gz AXLIEVWIEMWYRG-NSHDSACASA-N -1 3 293.338 3.209 20 0 CGADHM CCCc1cc(=O)[n-]c(C(=Cc2nc(C)c(C)[nH]2)CC)n1 ZINC000901498763 620901750 /nfs/dbraw/zinc/90/17/50/620901750.db2.gz NIHYYEXEQLGWCJ-XYOKQWHBSA-N -1 3 286.379 3.425 20 0 CGADHM Cc1cc(=O)[n-]c(CSCc2coc(C(C)(C)C)n2)n1 ZINC000901769074 621018279 /nfs/dbraw/zinc/01/82/79/621018279.db2.gz HBINIJNBXSTPFQ-UHFFFAOYSA-N -1 3 293.392 3.210 20 0 CGADHM Cc1cccc(CN2CC3(CCC3)[C@@](F)(C(=O)[O-])C2)c1C ZINC000901916668 621062212 /nfs/dbraw/zinc/06/22/12/621062212.db2.gz VSTVXFORVMAFRV-KRWDZBQOSA-N -1 3 291.366 3.082 20 0 CGADHM Cc1cc(CN[C@H](C)CSC(C)(C)C)oc1C(=O)[O-] ZINC000901939956 621071088 /nfs/dbraw/zinc/07/10/88/621071088.db2.gz RXJXKNGIXCWINS-SNVBAGLBSA-N -1 3 285.409 3.296 20 0 CGADHM CCc1cccc(Cl)c1CN(CCC(=O)[O-])C1CC1 ZINC000901970006 621083171 /nfs/dbraw/zinc/08/31/71/621083171.db2.gz CIBDBVGSXNHYHW-UHFFFAOYSA-N -1 3 281.783 3.342 20 0 CGADHM Cc1ccc(CN(C)[C@H](Cc2ccccc2)C(=O)[O-])s1 ZINC000902006141 621096468 /nfs/dbraw/zinc/09/64/68/621096468.db2.gz VNDYMBKPGMFVDT-OAHLLOKOSA-N -1 3 289.400 3.184 20 0 CGADHM O=C([O-])c1occc1CN[C@@H](c1ccccc1)C1CC1 ZINC000902133286 621150897 /nfs/dbraw/zinc/15/08/97/621150897.db2.gz ZMHHJXOEDYVRGH-AWEZNQCLSA-N -1 3 271.316 3.219 20 0 CGADHM C[C@@H]1CCN(Cc2cc(C(=O)[O-])no2)CC12CCCCC2 ZINC000902439325 621319969 /nfs/dbraw/zinc/31/99/69/621319969.db2.gz YUXHGJJFTLYYTE-GFCCVEGCSA-N -1 3 292.379 3.165 20 0 CGADHM O=C([O-])c1ccc(CN2CCCC3(CC3)C2)cc1Cl ZINC000902440060 621320366 /nfs/dbraw/zinc/32/03/66/621320366.db2.gz HQIZKURFKHKKPK-UHFFFAOYSA-N -1 3 279.767 3.414 20 0 CGADHM Cc1oc(C(=O)[O-])cc1CN1CCC=C(c2ccco2)C1 ZINC000902459455 621336290 /nfs/dbraw/zinc/33/62/90/621336290.db2.gz OQHIJHAMZCBSGF-UHFFFAOYSA-N -1 3 287.315 3.169 20 0 CGADHM CN(Cc1ccc(-c2ccccc2C(=O)[O-])o1)C1CC1 ZINC000902512502 621351447 /nfs/dbraw/zinc/35/14/47/621351447.db2.gz UQLIVHGTIFGRBN-UHFFFAOYSA-N -1 3 271.316 3.239 20 0 CGADHM C[C@@H](NCc1nc2c(s1)CCC2)c1cccc([O-])c1F ZINC000903190602 621627767 /nfs/dbraw/zinc/62/77/67/621627767.db2.gz BTVVELUJVRZPOD-SECBINFHSA-N -1 3 292.379 3.327 20 0 CGADHM C[C@H](c1ccc(C(=O)[O-])o1)N1CCC2(CCCCO2)CC1 ZINC000903620985 621776133 /nfs/dbraw/zinc/77/61/33/621776133.db2.gz LAZWJBSIYRSLGD-GFCCVEGCSA-N -1 3 293.363 3.074 20 0 CGADHM C[C@@H]1CCN(Cc2cncc(C(=O)[O-])c2)[C@@H]2CCCC[C@@H]12 ZINC000903888294 621823001 /nfs/dbraw/zinc/82/30/01/621823001.db2.gz YFBWLEHZKGCISG-UHOFOFEASA-N -1 3 288.391 3.180 20 0 CGADHM COc1ccc(Cl)c(CN2CC[C@H](C(=O)[O-])C[C@@H]2C)c1 ZINC000903939037 621835638 /nfs/dbraw/zinc/83/56/38/621835638.db2.gz KWPLQGYOUWDQMQ-QWRGUYRKSA-N -1 3 297.782 3.034 20 0 CGADHM Cc1cc(CN[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])sn1 ZINC000904002914 621848274 /nfs/dbraw/zinc/84/82/74/621848274.db2.gz GXPUHQFWDVYJPJ-BXUZGUMPSA-N -1 3 290.388 3.003 20 0 CGADHM COc1cccc(CN[C@H](CC(=O)[O-])c2cccc(C)c2)c1 ZINC000904043842 621858775 /nfs/dbraw/zinc/85/87/75/621858775.db2.gz VZJQRPQNBIMSDH-QGZVFWFLSA-N -1 3 299.370 3.309 20 0 CGADHM O=C([O-])[C@@H](NC/C=C/Cl)c1cccc(C(F)(F)F)c1 ZINC000905403138 622067240 /nfs/dbraw/zinc/06/72/40/622067240.db2.gz LEFGNISSBLGVSK-FWYAXHSGSA-N -1 3 293.672 3.173 20 0 CGADHM O=C(Nc1cccc([O-])c1F)[C@H]1CCOC2(CCCC2)C1 ZINC000907161403 622285761 /nfs/dbraw/zinc/28/57/61/622285761.db2.gz GWKNBOLAGNYWHJ-NSHDSACASA-N -1 3 293.338 3.209 20 0 CGADHM COC/C(C)=C\COC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000908831502 622374919 /nfs/dbraw/zinc/37/49/19/622374919.db2.gz SOFFEFZZIBVQTR-CLTKARDFSA-N -1 3 278.135 3.071 20 0 CGADHM COc1cccc([O-])c1C(=O)N1CC[C@@H](C2CCCC2)C1 ZINC000911182842 622524404 /nfs/dbraw/zinc/52/44/04/622524404.db2.gz VSHRWTWAXUZTJB-CYBMUJFWSA-N -1 3 289.375 3.053 20 0 CGADHM C[C@@H](Cc1ccccc1Cl)[N-]C(=O)C(F)(F)C(F)F ZINC000226609907 622985220 /nfs/dbraw/zinc/98/52/20/622985220.db2.gz OIOIIHMEGCLYTO-ZETCQYMHSA-N -1 3 297.679 3.288 20 0 CGADHM O=C(CCCOc1ccccc1)[N-]OCc1ccccc1 ZINC000061509241 623150832 /nfs/dbraw/zinc/15/08/32/623150832.db2.gz YPOZCTLPIFTZBH-UHFFFAOYSA-N -1 3 285.343 3.094 20 0 CGADHM C[C@H]1C[C@H](CC(=O)[N-]OCC(F)F)CC(C)(C)C1 ZINC000759324717 623527720 /nfs/dbraw/zinc/52/77/20/623527720.db2.gz PYZWBEMKKHVDBC-VHSXEESVSA-N -1 3 263.328 3.152 20 0 CGADHM C[C@@H](N[C@@H](C)CCc1ccco1)c1ncc(C(=O)[O-])s1 ZINC000314982760 623665427 /nfs/dbraw/zinc/66/54/27/623665427.db2.gz PHKOBWLNZRMGQP-VHSXEESVSA-N -1 3 294.376 3.106 20 0 CGADHM Cc1ccc(-c2cc(C(=O)Oc3ccc(F)cc3)n[n-]2)o1 ZINC000916852709 624220232 /nfs/dbraw/zinc/22/02/32/624220232.db2.gz UTARUQTWYBRNJN-UHFFFAOYSA-N -1 3 286.262 3.336 20 0 CGADHM Cc1ccc(-c2cc(C(=O)Oc3ccc(F)cc3)[n-]n2)o1 ZINC000916852709 624220235 /nfs/dbraw/zinc/22/02/35/624220235.db2.gz UTARUQTWYBRNJN-UHFFFAOYSA-N -1 3 286.262 3.336 20 0 CGADHM O=C(CCCC1CCCC1)[N-]OCCC(F)(F)F ZINC000155092696 624424711 /nfs/dbraw/zinc/42/47/11/624424711.db2.gz FCMLYZRDVFWBOZ-UHFFFAOYSA-N -1 3 267.291 3.347 20 0 CGADHM C[C@H]1CCCC[C@@H]1CC(=O)[N-]OCc1ccccc1 ZINC000920430757 624500392 /nfs/dbraw/zinc/50/03/92/624500392.db2.gz AISZTQMYPXJFQE-DZGCQCFKSA-N -1 3 261.365 3.451 20 0 CGADHM C[C@@H]1CC[C@@H](CC(=O)[N-]OCc2ccc(F)cc2)C1 ZINC000184223444 625213224 /nfs/dbraw/zinc/21/32/24/625213224.db2.gz STFICYLKLHVFSA-DGCLKSJQSA-N -1 3 265.328 3.200 20 0 CGADHM O=C(CCc1ccc(F)cc1)[N-]OCc1ccc(F)cc1 ZINC000184234036 625214835 /nfs/dbraw/zinc/21/48/35/625214835.db2.gz GDLYLFQZHKFYED-UHFFFAOYSA-N -1 3 291.297 3.145 20 0 CGADHM CC(C)(CC(=O)[N-]Oc1ccccc1)c1ccccc1 ZINC000773466714 625905583 /nfs/dbraw/zinc/90/55/83/625905583.db2.gz LCKVTJSHICCIAG-UHFFFAOYSA-N -1 3 269.344 3.465 20 0 CGADHM O=C([O-])[C@H]1CN(CCc2cccc(F)c2)Cc2ccccc21 ZINC000923254804 626140240 /nfs/dbraw/zinc/14/02/40/626140240.db2.gz FLDBTXFBXHGYFB-KRWDZBQOSA-N -1 3 299.345 3.052 20 0 CGADHM Cc1ccc(-c2cc(C(=O)OC3(C)CCC3)n[n-]2)o1 ZINC000757919223 626814190 /nfs/dbraw/zinc/81/41/90/626814190.db2.gz KKDMZUZEIPHRNY-UHFFFAOYSA-N -1 3 260.293 3.078 20 0 CGADHM Cc1ccc(-c2cc(C(=O)OC3(C)CCC3)[n-]n2)o1 ZINC000757919223 626814192 /nfs/dbraw/zinc/81/41/92/626814192.db2.gz KKDMZUZEIPHRNY-UHFFFAOYSA-N -1 3 260.293 3.078 20 0 CGADHM CCOC(=O)c1ccc(NC(=O)C=C(CC)CC)c([O-])c1 ZINC000762803615 627125456 /nfs/dbraw/zinc/12/54/56/627125456.db2.gz AYDQEUUJGQERRH-UHFFFAOYSA-N -1 3 291.347 3.254 20 0 CGADHM Cc1cc(=O)[n-]c(CSCc2cccc(F)c2F)n1 ZINC000763210759 627145566 /nfs/dbraw/zinc/14/55/66/627145566.db2.gz OBHLJPAGJHNJMO-UHFFFAOYSA-N -1 3 282.315 3.202 20 0 CGADHM CO/C(=C\c1ccccc1)C(=O)Nc1cc(F)ccc1[O-] ZINC000764622541 627215344 /nfs/dbraw/zinc/21/53/44/627215344.db2.gz ASBOBVFZTDZGHK-DHDCSXOGSA-N -1 3 287.290 3.157 20 0 CGADHM CSc1ccncc1[N-]C(=O)c1ccnc(Cl)c1F ZINC000767066666 627379805 /nfs/dbraw/zinc/37/98/05/627379805.db2.gz YLSHKUSDDGJNBQ-UHFFFAOYSA-N -1 3 297.742 3.243 20 0 CGADHM CC(C)c1nsc([N-]C(=O)c2cccc(F)c2F)n1 ZINC000874696251 634595435 /nfs/dbraw/zinc/59/54/35/634595435.db2.gz DUUUNGFGBQGENQ-UHFFFAOYSA-N -1 3 283.303 3.192 20 0 CGADHM CSc1ccccc1[N-]C(=O)c1cnc([C@H](C)O)s1 ZINC000773747999 627910507 /nfs/dbraw/zinc/91/05/07/627910507.db2.gz KHTZKPDWWLGACR-QMMMGPOBSA-N -1 3 294.401 3.171 20 0 CGADHM O=C(Cc1ccc(-n2cccc2)cc1)[N-]OC1CCCC1 ZINC000774874187 628046424 /nfs/dbraw/zinc/04/64/24/628046424.db2.gz ADSPQTAEGGIREK-UHFFFAOYSA-N -1 3 284.359 3.010 20 0 CGADHM COCCCCCOC(=O)c1cccc(Cl)c1[O-] ZINC000775934813 628150381 /nfs/dbraw/zinc/15/03/81/628150381.db2.gz DVDPVGIUURGIDN-UHFFFAOYSA-N -1 3 272.728 3.019 20 0 CGADHM Cc1cnc(COC(=O)c2cccc(Cl)c2[O-])s1 ZINC000775934335 628150450 /nfs/dbraw/zinc/15/04/50/628150450.db2.gz MVVGQUPEPKERRI-UHFFFAOYSA-N -1 3 283.736 3.168 20 0 CGADHM CCCCC[C@H](CC)C(=O)Nc1ncccc1[O-] ZINC000776222210 628182302 /nfs/dbraw/zinc/18/23/02/628182302.db2.gz CELKHWMJMBEJNC-NSHDSACASA-N -1 3 250.342 3.332 20 0 CGADHM Cc1cccc(C=Cc2nccc(=O)[n-]2)c1OC(F)F ZINC000777917565 628311328 /nfs/dbraw/zinc/31/13/28/628311328.db2.gz CNTSXVJREFHXAT-WAYWQWQTSA-N -1 3 278.258 3.262 20 0 CGADHM Cc1ccc(C)c(CC(=O)[N-]OC2CCCCC2)c1 ZINC000777950655 628314173 /nfs/dbraw/zinc/31/41/73/628314173.db2.gz VGGFJTWCNSIZMP-UHFFFAOYSA-N -1 3 261.365 3.226 20 0 CGADHM O=C(CCOc1cccc(Cl)c1)[N-]OC1CCCCC1 ZINC000777962975 628316121 /nfs/dbraw/zinc/31/61/21/628316121.db2.gz RQRWBKMHDPSYRR-UHFFFAOYSA-N -1 3 297.782 3.489 20 0 CGADHM O=C(C[C@@H]1CCC(F)(F)C1)[N-]Oc1ccccc1F ZINC000874910378 634649560 /nfs/dbraw/zinc/64/95/60/634649560.db2.gz QORMENGRVQZXCH-VIFPVBQESA-N -1 3 273.254 3.061 20 0 CGADHM CSCc1cccc(C[N-]C(=O)C(F)(F)C(F)F)c1 ZINC000782910589 628667412 /nfs/dbraw/zinc/66/74/12/628667412.db2.gz DWZZVGSJNGZYOM-UHFFFAOYSA-N -1 3 295.301 3.066 20 0 CGADHM O=C(Cc1ccc2ccccc2c1)[N-]OCCC1CC1 ZINC000783559248 628725713 /nfs/dbraw/zinc/72/57/13/628725713.db2.gz ZCJVERUTQDNBBA-UHFFFAOYSA-N -1 3 269.344 3.230 20 0 CGADHM O=C(OCc1ccc(F)cc1)c1cc2occc2[n-]1 ZINC000786028566 628907809 /nfs/dbraw/zinc/90/78/09/628907809.db2.gz IURWINDXQWEHDJ-UHFFFAOYSA-N -1 3 259.236 3.257 20 0 CGADHM CCOC(=O)CCCCCOC(=O)c1cc2occc2[n-]1 ZINC000786030947 628909061 /nfs/dbraw/zinc/90/90/61/628909061.db2.gz JXUYPMHNAXXQHC-UHFFFAOYSA-N -1 3 293.319 3.041 20 0 CGADHM CCc1ccc(-c2nc(-c3cccc(N)c3)no2)c([O-])c1 ZINC000787219723 629001985 /nfs/dbraw/zinc/00/19/85/629001985.db2.gz SFGRXMRBDBRQPG-UHFFFAOYSA-N -1 3 281.315 3.254 20 0 CGADHM O=C(N[C@@H]1CC=CCC1)c1cc2sccc2c([O-])c1 ZINC000791364849 629269835 /nfs/dbraw/zinc/26/98/35/629269835.db2.gz RRAAGAGOCMAVNM-LLVKDONJSA-N -1 3 273.357 3.445 20 0 CGADHM Cc1ccnc(COC(=O)c2cc(F)cc(Cl)c2[O-])c1 ZINC000791405661 629273199 /nfs/dbraw/zinc/27/31/99/629273199.db2.gz XGFFZKGVRBXZSS-UHFFFAOYSA-N -1 3 295.697 3.245 20 0 CGADHM C[C@H](NC(=O)c1cc([O-])c2ccccc2c1)c1ccc[nH]1 ZINC000792283829 629354150 /nfs/dbraw/zinc/35/41/50/629354150.db2.gz WZMNUEIWNOGNBL-NSHDSACASA-N -1 3 280.327 3.365 20 0 CGADHM Cc1cc(=O)[n-]c(C(C)(C)NCc2cc(Cl)cs2)n1 ZINC000862432781 629371273 /nfs/dbraw/zinc/37/12/73/629371273.db2.gz MSIRMQVJUYWQOX-UHFFFAOYSA-N -1 3 297.811 3.230 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)CCc1ccc2[nH]ccc2c1 ZINC000794854342 629589089 /nfs/dbraw/zinc/58/90/89/629589089.db2.gz QYQOJPVFZNWIRV-LBPRGKRZSA-N -1 3 274.364 3.194 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)Cc1c(C)cc(C)cc1C ZINC000794873487 629593184 /nfs/dbraw/zinc/59/31/84/629593184.db2.gz DAIQJABDDLJLPK-LLVKDONJSA-N -1 3 263.381 3.248 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)CCCOc1cccc(F)c1 ZINC000794876688 629593306 /nfs/dbraw/zinc/59/33/06/629593306.db2.gz WIGWUPOMCSUCMV-GFCCVEGCSA-N -1 3 283.343 3.079 20 0 CGADHM CO[C@@H]1CC[C@H](C)N(Cc2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC000864054023 629749573 /nfs/dbraw/zinc/74/95/73/629749573.db2.gz OAAKOEDJRHURON-CMPLNLGQSA-N -1 3 297.782 3.038 20 0 CGADHM CSC1(COC(=O)c2cc(-c3ccc(C)o3)[n-]n2)CC1 ZINC000799682138 630217308 /nfs/dbraw/zinc/21/73/08/630217308.db2.gz GYDRHWJFVHOELR-UHFFFAOYSA-N -1 3 292.360 3.031 20 0 CGADHM CSC1(COC(=O)c2cc(-c3ccc(C)o3)n[n-]2)CC1 ZINC000799682138 630217311 /nfs/dbraw/zinc/21/73/11/630217311.db2.gz GYDRHWJFVHOELR-UHFFFAOYSA-N -1 3 292.360 3.031 20 0 CGADHM COc1cccc2c(C(=O)O[C@@H](C)c3ccccc3)n[n-]c21 ZINC000808673646 630663285 /nfs/dbraw/zinc/66/32/85/630663285.db2.gz GWVDLGUCTDLWMN-NSHDSACASA-N -1 3 296.326 3.490 20 0 CGADHM COc1cccc2c1n[n-]c2C(=O)O[C@@H](C)c1ccccc1 ZINC000808673646 630663288 /nfs/dbraw/zinc/66/32/88/630663288.db2.gz GWVDLGUCTDLWMN-NSHDSACASA-N -1 3 296.326 3.490 20 0 CGADHM C[C@@H](CC(=O)[N-]OC/C=C/Cl)C1CCCCC1 ZINC000812403065 631246236 /nfs/dbraw/zinc/24/62/36/631246236.db2.gz NBSHNPVNDMLIHF-BWNDKRECSA-N -1 3 259.777 3.393 20 0 CGADHM CON(C[C@@H]1CCC[C@@H](C)C1)C(=O)c1ccccc1[O-] ZINC000812424242 631257337 /nfs/dbraw/zinc/25/73/37/631257337.db2.gz FJKQLUYMUAYAGU-CHWSQXEVSA-N -1 3 277.364 3.222 20 0 CGADHM COC(=O)c1cc(C(=O)O[C@@H](C)c2cccc(C)c2)c[n-]1 ZINC000814530992 631601333 /nfs/dbraw/zinc/60/13/33/631601333.db2.gz NBZKMKOIWOFQLR-NSHDSACASA-N -1 3 287.315 3.028 20 0 CGADHM [O-]c1ccc(F)c(CN2CC[C@H](c3ccco3)C2)c1F ZINC000816508191 631997505 /nfs/dbraw/zinc/99/75/05/631997505.db2.gz FBOWRMFIUUCJIP-JTQLQIEISA-N -1 3 279.286 3.253 20 0 CGADHM O=C(Nc1c([O-])cccc1Cl)c1ccc(Cl)nc1 ZINC000816769116 632048839 /nfs/dbraw/zinc/04/88/39/632048839.db2.gz USABZZFCDOOZDG-UHFFFAOYSA-N -1 3 283.114 3.346 20 0 CGADHM CCc1ccc([C@@H](C)CC(=O)[N-]OCC2CC2)cc1 ZINC000817324725 632120044 /nfs/dbraw/zinc/12/00/44/632120044.db2.gz NMQJUSBIRSSBNH-LBPRGKRZSA-N -1 3 261.365 3.200 20 0 CGADHM O=C(CCc1ccc(Cl)s1)[N-]OCCC1CC1 ZINC000817393575 632137281 /nfs/dbraw/zinc/13/72/81/632137281.db2.gz SYNRCYXDXKEXDC-UHFFFAOYSA-N -1 3 273.785 3.182 20 0 CGADHM O=C(Cc1cccc(C(F)F)c1)[N-]OCCC1CC1 ZINC000817399394 632137607 /nfs/dbraw/zinc/13/76/07/632137607.db2.gz KBMQJXSYMMCZPP-UHFFFAOYSA-N -1 3 269.291 3.015 20 0 CGADHM Cc1ccc2[nH]cc(CCC(=O)[N-]OCCC3CC3)c2c1 ZINC000817429862 632153125 /nfs/dbraw/zinc/15/31/25/632153125.db2.gz KIDJIEKBCIMQKX-UHFFFAOYSA-N -1 3 286.375 3.257 20 0 CGADHM CCc1ccc(CCC(=O)[N-]OCCC2CC2)cc1 ZINC000817437570 632157200 /nfs/dbraw/zinc/15/72/00/632157200.db2.gz OSDIWERPBCHIKS-UHFFFAOYSA-N -1 3 261.365 3.030 20 0 CGADHM C[C@H](CCc1ccccc1F)C(=O)[N-]OCCC1CC1 ZINC000817441644 632159553 /nfs/dbraw/zinc/15/95/53/632159553.db2.gz JKGOAAXZNDWRBU-GFCCVEGCSA-N -1 3 279.355 3.242 20 0 CGADHM CC1CCC(N(C(=O)c2ccc(N)cc2[O-])C2CC2)CC1 ZINC000817920602 632235141 /nfs/dbraw/zinc/23/51/41/632235141.db2.gz QOUPBXFGBLJKFK-UHFFFAOYSA-N -1 3 288.391 3.158 20 0 CGADHM CC(C)CC[C@@H]1CCCN1C(=O)c1ccc(N)cc1[O-] ZINC000817999290 632276079 /nfs/dbraw/zinc/27/60/79/632276079.db2.gz RCXVXBPSZVSHBX-ZDUSSCGKSA-N -1 3 276.380 3.015 20 0 CGADHM Nc1ccc(C(=O)N2CC3(CCC3)c3ccccc32)c([O-])c1 ZINC000818000257 632276333 /nfs/dbraw/zinc/27/63/33/632276333.db2.gz LVBKMTQCANCCHX-UHFFFAOYSA-N -1 3 294.354 3.057 20 0 CGADHM CCOC([O-])=NOCCOc1ccc(Cl)cc1Cl ZINC000818106345 632288541 /nfs/dbraw/zinc/28/85/41/632288541.db2.gz KIOSQBHGMQZWMM-UHFFFAOYSA-N -1 3 294.134 3.050 20 0 CGADHM CCOC(=O)[N-]OCCOc1ccc(Cl)cc1Cl ZINC000818106345 632288545 /nfs/dbraw/zinc/28/85/45/632288545.db2.gz KIOSQBHGMQZWMM-UHFFFAOYSA-N -1 3 294.134 3.050 20 0 CGADHM O=C(CCc1cccc(OC(F)F)c1)[N-]OCCC1CC1 ZINC000819540771 632483136 /nfs/dbraw/zinc/48/31/36/632483136.db2.gz UWTPJYRJFMBRGH-UHFFFAOYSA-N -1 3 299.317 3.069 20 0 CGADHM C/C(=C\C(=O)Nc1c([O-])cccc1Cl)C1CC1 ZINC000820509295 632639882 /nfs/dbraw/zinc/63/98/82/632639882.db2.gz DFBNREQYTHXHST-BQYQJAHWSA-N -1 3 251.713 3.340 20 0 CGADHM CCc1cccc(C(=O)N(C)OCc2ccccc2)c1[O-] ZINC000121211904 633240136 /nfs/dbraw/zinc/24/01/36/633240136.db2.gz PNHFSFHMMUPWPG-UHFFFAOYSA-N -1 3 285.343 3.158 20 0 CGADHM O=C(CCc1ccc(C(F)F)cc1)[N-]OC/C=C/Cl ZINC000868469481 633327375 /nfs/dbraw/zinc/32/73/75/633327375.db2.gz LPAMRCHAQJVVBP-UNXLUWIOSA-N -1 3 289.709 3.357 20 0 CGADHM COCCCCSc1cccc(Cl)c1-c1nnn[n-]1 ZINC000826156313 633409163 /nfs/dbraw/zinc/40/91/63/633409163.db2.gz XZJKFGBCZMKLPB-UHFFFAOYSA-N -1 3 298.799 3.039 20 0 CGADHM COCCCCSc1cccc(Cl)c1-c1nn[n-]n1 ZINC000826156313 633409171 /nfs/dbraw/zinc/40/91/71/633409171.db2.gz XZJKFGBCZMKLPB-UHFFFAOYSA-N -1 3 298.799 3.039 20 0 CGADHM COc1cc(-c2nnn[n-]2)ccc1CS[C@H](C)C(C)C ZINC000826173589 633409296 /nfs/dbraw/zinc/40/92/96/633409296.db2.gz LCWTVIVDKMZCLT-SNVBAGLBSA-N -1 3 292.408 3.153 20 0 CGADHM COc1cc(-c2nn[n-]n2)ccc1CS[C@H](C)C(C)C ZINC000826173589 633409302 /nfs/dbraw/zinc/40/93/02/633409302.db2.gz LCWTVIVDKMZCLT-SNVBAGLBSA-N -1 3 292.408 3.153 20 0 CGADHM CCCCC(=O)COC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000869340680 633433206 /nfs/dbraw/zinc/43/32/06/633433206.db2.gz LORUARVSTHTFRC-UHFFFAOYSA-N -1 3 278.135 3.238 20 0 CGADHM CSc1ccc([O-])c(C(=O)N[C@H]2CC[C@@H](SC)C2)c1 ZINC000828931701 633669727 /nfs/dbraw/zinc/66/97/27/633669727.db2.gz ZSONKMACGJEGCK-VHSXEESVSA-N -1 3 297.445 3.128 20 0 CGADHM O=C(CC1CCCCC1)[N-]OCCCC(F)(F)F ZINC000871210039 633728265 /nfs/dbraw/zinc/72/82/65/633728265.db2.gz QTYBBJCBOUDUEO-UHFFFAOYSA-N -1 3 267.291 3.347 20 0 CGADHM C[C@@H]1CC[C@@H](CC(=O)[N-]OCCCC(F)(F)F)C1 ZINC000871212750 633728868 /nfs/dbraw/zinc/72/88/68/633728868.db2.gz BNGYLZQGRPFJIU-NXEZZACHSA-N -1 3 267.291 3.203 20 0 CGADHM CCCC1(C(=O)[N-]OCCCC(F)(F)F)CCC1 ZINC000871213664 633729372 /nfs/dbraw/zinc/72/93/72/633729372.db2.gz XHCXBNFYRDRTFQ-UHFFFAOYSA-N -1 3 267.291 3.347 20 0 CGADHM CCc1cccc(CC(=O)[N-]OCCCC(F)(F)F)c1 ZINC000871214993 633730478 /nfs/dbraw/zinc/73/04/78/633730478.db2.gz XBFBRMOYCIYTPF-UHFFFAOYSA-N -1 3 289.297 3.182 20 0 CGADHM CC(C)(C)CC(=O)[N-]OCc1cccc2ncccc12 ZINC000871753622 633852736 /nfs/dbraw/zinc/85/27/36/633852736.db2.gz UXDLKKDKAHEHBS-UHFFFAOYSA-N -1 3 272.348 3.219 20 0 CGADHM C[C@@H](N[C@H]1COCc2ccccc21)c1cccc([O-])c1F ZINC000872080808 634005334 /nfs/dbraw/zinc/00/53/34/634005334.db2.gz SNEPAWHOIIVXSW-ABAIWWIYSA-N -1 3 287.334 3.453 20 0 CGADHM C[C@H](N[C@@H]1C[C@H](O)c2ccccc21)c1cccc([O-])c1F ZINC000872085724 634012105 /nfs/dbraw/zinc/01/21/05/634012105.db2.gz PDSDIWUTQZLPKG-JJMVLAAESA-N -1 3 287.334 3.360 20 0 CGADHM C[C@H](O)[C@H](N[C@@H](C)c1cccc([O-])c1F)c1ccccc1 ZINC000872087047 634012724 /nfs/dbraw/zinc/01/27/24/634012724.db2.gz ANPUYFVJCBLILP-PRXAMGSTSA-N -1 3 289.350 3.304 20 0 CGADHM CO[C@H]1CC[C@H](C)N(Cc2c(Cl)cccc2C(=O)[O-])C1 ZINC000872161718 634072642 /nfs/dbraw/zinc/07/26/42/634072642.db2.gz ZVEOLQGYDQRKTD-QWRGUYRKSA-N -1 3 297.782 3.038 20 0 CGADHM COc1ccc(C(=O)[O-])c2c1CN(CCC=C(C)C)CC2 ZINC000872167201 634073407 /nfs/dbraw/zinc/07/34/07/634073407.db2.gz FXRKODNDCLLSGC-UHFFFAOYSA-N -1 3 289.375 3.108 20 0 CGADHM Cc1c(Cl)ccc2c1CN(CCCCC(=O)[O-])CC2 ZINC000872165908 634073821 /nfs/dbraw/zinc/07/38/21/634073821.db2.gz OFISENGIRBSAMR-UHFFFAOYSA-N 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298.386 3.131 20 0 CGADHM CC(C)(C)CC(=O)[N-]OCCSCc1ccccc1 ZINC000842061694 635271587 /nfs/dbraw/zinc/27/15/87/635271587.db2.gz NNPQDNPCKGINNW-UHFFFAOYSA-N -1 3 281.421 3.404 20 0 CGADHM CSCCSCc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000842193878 635311475 /nfs/dbraw/zinc/31/14/75/635311475.db2.gz GLFZIDVXQCJHKV-UHFFFAOYSA-N -1 3 292.429 3.445 20 0 CGADHM O=C([N-][C@@H](c1c(F)cccc1F)C(F)(F)F)C1(F)CC1 ZINC000843576266 635710648 /nfs/dbraw/zinc/71/06/48/635710648.db2.gz XWUMTKLZLSLSAY-VIFPVBQESA-N -1 3 297.198 3.187 20 0 CGADHM CSc1ccc(CCCC(=O)[N-]OC(C)C)cc1 ZINC000843899262 635793069 /nfs/dbraw/zinc/79/30/69/635793069.db2.gz FLLKFYHBXWFJAG-UHFFFAOYSA-N -1 3 267.394 3.187 20 0 CGADHM CCCO[N-]C(=O)Cc1ccccc1OC1CCCC1 ZINC000844090449 635819960 /nfs/dbraw/zinc/81/99/60/635819960.db2.gz RRBJCYUYWFMKAC-UHFFFAOYSA-N -1 3 277.364 3.008 20 0 CGADHM C[C@H]1SCC[C@@H]1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000844104771 635822919 /nfs/dbraw/zinc/82/29/19/635822919.db2.gz CZHOFECDUPKQLK-YGRLFVJLSA-N -1 3 287.384 3.169 20 0 CGADHM Cc1nc(COC(=O)c2cc(Cl)c(Cl)[n-]2)oc1C ZINC000128059606 635875986 /nfs/dbraw/zinc/87/59/86/635875986.db2.gz LMKLTTPESMMBPY-UHFFFAOYSA-N -1 3 289.118 3.283 20 0 CGADHM O=C(NCC1(CC2CC2)CC1)c1cc([O-])ccc1Cl ZINC000881520013 636127664 /nfs/dbraw/zinc/12/76/64/636127664.db2.gz IHCCCMUAQYMHIM-UHFFFAOYSA-N -1 3 279.767 3.356 20 0 CGADHM [O-]c1ccc(F)c(CN2CCC23CCCC3)c1F ZINC000846001186 636128471 /nfs/dbraw/zinc/12/84/71/636128471.db2.gz XYLDYBMVVIMGGJ-UHFFFAOYSA-N -1 3 253.292 3.189 20 0 CGADHM CC(C)c1ccc(C(=O)N2CCC[C@H](CF)C2)c([O-])c1 ZINC000881594965 636157315 /nfs/dbraw/zinc/15/73/15/636157315.db2.gz NYTMYGYHACSBSB-GFCCVEGCSA-N -1 3 279.355 3.337 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)[C@@H]1CSC[C@H]1c1ccccc1 ZINC000846216071 636160476 /nfs/dbraw/zinc/16/04/76/636160476.db2.gz WUCWXUXVEAHYJN-AEGPPILISA-N -1 3 293.432 3.227 20 0 CGADHM CC(C)CO[N-]C(=O)C[C@@H]1OCc2cc(Cl)ccc21 ZINC000847604880 636402428 /nfs/dbraw/zinc/40/24/28/636402428.db2.gz XJFUJTYNYHFSLT-ZDUSSCGKSA-N -1 3 283.755 3.005 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)CCCc1ccc(F)cc1 ZINC000848120833 636532876 /nfs/dbraw/zinc/53/28/76/636532876.db2.gz PRIIUNVFLBFVCZ-LBPRGKRZSA-N -1 3 267.344 3.242 20 0 CGADHM Cc1ccc2c(CC(=O)[N-]OC3CCCC3)coc2c1 ZINC000135136560 637091122 /nfs/dbraw/zinc/09/11/22/637091122.db2.gz JOCHEAKPCJJSIV-UHFFFAOYSA-N -1 3 273.332 3.274 20 0 CGADHM CCc1cc(=O)[n-]c(CSCC=C(Cl)Cl)n1 ZINC000853769688 637915062 /nfs/dbraw/zinc/91/50/62/637915062.db2.gz FKVAPPJWHMCIFU-UHFFFAOYSA-N -1 3 279.192 3.297 20 0 CGADHM CCC1(C(=O)[N-]OCCC2CC2)CCC(F)(F)CC1 ZINC000854638842 638080171 /nfs/dbraw/zinc/08/01/71/638080171.db2.gz KDMQIVKMSRYIBE-UHFFFAOYSA-N -1 3 275.339 3.440 20 0 CGADHM Cc1ccccc1CCC(=O)[N-]OCc1ccccc1 ZINC000112725938 638114243 /nfs/dbraw/zinc/11/42/43/638114243.db2.gz NEMYLFJWAOOJCA-UHFFFAOYSA-N -1 3 269.344 3.176 20 0 CGADHM C[C@@H]1C[C@@H]1c1ccc(CCC(=O)[N-]OCC2CCC2)o1 ZINC000856344360 638345471 /nfs/dbraw/zinc/34/54/71/638345471.db2.gz IUZUBQWFCBDXDB-RISCZKNCSA-N -1 3 277.364 3.184 20 0 CGADHM O=C([N-]OCC1CCC1)C1(Cc2ccccc2)CCC1 ZINC000856348105 638348372 /nfs/dbraw/zinc/34/83/72/638348372.db2.gz PRIYZUMGUABFNZ-UHFFFAOYSA-N -1 3 273.376 3.247 20 0 CGADHM O=C(CC/C=C\c1ccccc1)[N-]OCC1CCC1 ZINC000856349688 638350182 /nfs/dbraw/zinc/35/01/82/638350182.db2.gz SKEUJJGPSASQOX-WTKPLQERSA-N -1 3 259.349 3.328 20 0 CGADHM CCOc1c(Cl)cccc1CC(=O)[N-]OCC1CCC1 ZINC000856350195 638350217 /nfs/dbraw/zinc/35/02/17/638350217.db2.gz FKTOIMKRRDOUNL-UHFFFAOYSA-N -1 3 297.782 3.129 20 0 CGADHM C[C@H](CC(=O)[N-]OCc1ccccc1)c1ccco1 ZINC000858167515 638648599 /nfs/dbraw/zinc/64/85/99/638648599.db2.gz SUXYERLQZUECOK-GFCCVEGCSA-N -1 3 259.305 3.021 20 0 CGADHM CO[C@H]1Cc2ccc(NC(=O)c3c(C)cccc3[O-])cc2C1 ZINC000860751658 639420561 /nfs/dbraw/zinc/42/05/61/639420561.db2.gz FTBRBSDYEQLLMS-HNNXBMFYSA-N -1 3 297.354 3.067 20 0 CGADHM CO[C@H]1C[C@H](OC(=O)c2cc3cc(Cl)sc3[n-]2)C1 ZINC000861305847 639564041 /nfs/dbraw/zinc/56/40/41/639564041.db2.gz ARIJKHCJEPFYDP-ZKCHVHJHSA-N -1 3 285.752 3.217 20 0 CGADHM CC(C)OCCO[N-]C(=O)CC(C1CCC1)C1CCC1 ZINC000861794548 639615366 /nfs/dbraw/zinc/61/53/66/639615366.db2.gz UOEZYLINOAQJFT-UHFFFAOYSA-N -1 3 283.412 3.066 20 0 CGADHM COc1cnccc1[C@@H](C)NCc1cccc(Cl)c1[O-] ZINC000189010400 640163198 /nfs/dbraw/zinc/16/31/98/640163198.db2.gz XFMNEYYHMONFSY-SNVBAGLBSA-N -1 3 292.766 3.300 20 0 CGADHM Cc1cc(C)c(NC(=O)c2cc3c(cc2[O-])OCO3)c(C)c1 ZINC000094033922 640787551 /nfs/dbraw/zinc/78/75/51/640787551.db2.gz IBHTYRYLZGOZTL-UHFFFAOYSA-N -1 3 299.326 3.298 20 0 CGADHM Cc1ccc2nc(NC(=O)c3c(C)cccc3[O-])sc2n1 ZINC001156020602 805642089 /nfs/dbraw/zinc/64/20/89/805642089.db2.gz NDNOVKIJUKKXCO-UHFFFAOYSA-N -1 3 299.355 3.266 20 0 CGADHM COc1ccc(-c2c(F)ccc([O-])c2F)cc1F ZINC001250619441 805730211 /nfs/dbraw/zinc/73/02/11/805730211.db2.gz MZLHGOCGHXAJGY-UHFFFAOYSA-N -1 3 254.207 3.485 20 0 CGADHM [O-]c1ccc(F)cc1-c1nc2cc3c(cc2[nH]1)CCO3 ZINC001250837540 805786711 /nfs/dbraw/zinc/78/67/11/805786711.db2.gz HKUPHTNBNOLILO-UHFFFAOYSA-N -1 3 270.263 3.010 20 0 CGADHM [O-]c1cnccc1-c1nc2c(cc(F)c(Cl)c2F)[nH]1 ZINC001250858453 805789950 /nfs/dbraw/zinc/78/99/50/805789950.db2.gz YBPGQTUHHPGJPK-UHFFFAOYSA-N -1 3 281.649 3.262 20 0 CGADHM Cc1cc(F)cc(C)c1[N-]S(=O)(=O)c1ccccc1 ZINC001251152091 805855929 /nfs/dbraw/zinc/85/59/29/805855929.db2.gz UTBLMPYTZQAFFM-UHFFFAOYSA-N -1 3 279.336 3.243 20 0 CGADHM [O-]c1cccc(-c2nc3c(ccc(F)c3F)[nH]2)c1F ZINC001251255289 805872908 /nfs/dbraw/zinc/87/29/08/805872908.db2.gz LEDWEYVEHRHXOF-UHFFFAOYSA-N -1 3 264.206 3.353 20 0 CGADHM CSc1cc(Cl)ncc1NCc1ncccc1[O-] ZINC001158774862 806002134 /nfs/dbraw/zinc/00/21/34/806002134.db2.gz STSCVNJGLIEIQN-UHFFFAOYSA-N -1 3 281.768 3.170 20 0 CGADHM Clc1cc(-c2nnc(-c3ccc(Cl)cc3)o2)[n-]n1 ZINC001252767941 806109671 /nfs/dbraw/zinc/10/96/71/806109671.db2.gz IFAQJZWUVJVBOL-UHFFFAOYSA-N -1 3 281.102 3.434 20 0 CGADHM Nc1cc(F)ccc1C(=O)Nc1c([O-])cccc1Cl ZINC001159656871 806142275 /nfs/dbraw/zinc/14/22/75/806142275.db2.gz DQVIBCLZCBFIAK-UHFFFAOYSA-N -1 3 280.686 3.019 20 0 CGADHM COc1cc(-c2nnc(-c3ccccc3)o2)cc(OC)c1[O-] ZINC001253047797 806157262 /nfs/dbraw/zinc/15/72/62/806157262.db2.gz YHFCYEOEBLYUGE-UHFFFAOYSA-N -1 3 298.298 3.126 20 0 CGADHM Clc1ccc2nc(-c3nnc(-c4ccccc4)o3)nc-2[n-]1 ZINC001253060013 806158456 /nfs/dbraw/zinc/15/84/56/806158456.db2.gz CKXZFARMCSDLGH-UHFFFAOYSA-N -1 3 297.705 3.328 20 0 CGADHM Clc1ccc2[n-]c(-c3nnc(-c4ccccc4)o3)nc2n1 ZINC001253060013 806158459 /nfs/dbraw/zinc/15/84/59/806158459.db2.gz CKXZFARMCSDLGH-UHFFFAOYSA-N -1 3 297.705 3.328 20 0 CGADHM Clc1ccc2nc(-c3nnc(-c4ccccc4)o3)[n-]c2n1 ZINC001253060013 806158463 /nfs/dbraw/zinc/15/84/63/806158463.db2.gz CKXZFARMCSDLGH-UHFFFAOYSA-N -1 3 297.705 3.328 20 0 CGADHM Cc1nnc(-c2cc([O-])cc(NC(=O)OC(C)(C)C)c2)o1 ZINC001253470909 806224937 /nfs/dbraw/zinc/22/49/37/806224937.db2.gz LXAPIHXZHMPRGZ-UHFFFAOYSA-N -1 3 291.307 3.098 20 0 CGADHM COc1cccc(-c2nnc(-c3cccc(C)c3)o2)c1[O-] ZINC001253612783 806273542 /nfs/dbraw/zinc/27/35/42/806273542.db2.gz NKXMIJXHRNRMMJ-UHFFFAOYSA-N -1 3 282.299 3.426 20 0 CGADHM Cc1ccc2ncc([O-])c(-c3nnc(C4CC4)o3)c2c1 ZINC001254058732 806334425 /nfs/dbraw/zinc/33/44/25/806334425.db2.gz FGMBKDSZUIKHQQ-UHFFFAOYSA-N -1 3 267.288 3.176 20 0 CGADHM CC(C)(C)[C@@H]1CCC[C@H]1NC(=O)c1ccc(O)cc1[O-] ZINC001161554583 806387513 /nfs/dbraw/zinc/38/75/13/806387513.db2.gz SJPMXVWAXVCWPF-CHWSQXEVSA-N -1 3 277.364 3.042 20 0 CGADHM Clc1cc(-c2nnc([C@H]3C[C@H]3c3ccccc3)o2)[n-]n1 ZINC001254651548 806474114 /nfs/dbraw/zinc/47/41/14/806474114.db2.gz FANMUUSMZKYUJJ-UWVGGRQHSA-N -1 3 286.722 3.384 20 0 CGADHM CC(C)CCc1ccc(N=c2ncnc3[nH][n-]cc2-3)cc1 ZINC001162321358 806555347 /nfs/dbraw/zinc/55/53/47/806555347.db2.gz QLLHHHOOAMPLAZ-UHFFFAOYSA-N -1 3 281.363 3.059 20 0 CGADHM CCCC1CCN(C(=O)c2ccc(C)cc2[O-])CC1 ZINC000050906519 798896037 /nfs/dbraw/zinc/89/60/37/798896037.db2.gz NQAXIARELPIPKD-UHFFFAOYSA-N -1 3 261.365 3.353 20 0 CGADHM CC[C@@H]1CCCCN1Cc1cc(F)c([O-])c(F)c1 ZINC000131535867 799028681 /nfs/dbraw/zinc/02/86/81/799028681.db2.gz RUAIIZUDYWRVEM-LLVKDONJSA-N -1 3 255.308 3.435 20 0 CGADHM C/C(=C\CNC(c1ccccc1)c1ccccc1)C(=O)[O-] ZINC000385343259 799425392 /nfs/dbraw/zinc/42/53/92/799425392.db2.gz KPXSJYTYIMGDRD-WYMLVPIESA-N -1 3 281.355 3.397 20 0 CGADHM CC(C)c1nn(C)cc1NCc1ccc([O-])c(F)c1 ZINC000388448276 799452527 /nfs/dbraw/zinc/45/25/27/799452527.db2.gz XSZAEVRTTYRFIZ-UHFFFAOYSA-N -1 3 263.316 3.000 20 0 CGADHM CCc1cnc(CN2CCC[C@@H](C(C)(C)C(=O)[O-])C2)s1 ZINC000394840098 799500465 /nfs/dbraw/zinc/50/04/65/799500465.db2.gz JORMBUYZHAYJNG-LLVKDONJSA-N -1 3 296.436 3.028 20 0 CGADHM Cc1ccc(C(=O)N2Cc3cc(F)c(F)cc3C2)c([O-])c1 ZINC001163375974 806753519 /nfs/dbraw/zinc/75/35/19/806753519.db2.gz FHKIVCAGIDATLE-UHFFFAOYSA-N -1 3 289.281 3.135 20 0 CGADHM CC1(NCc2cccc([O-])c2Cl)CC(F)(F)C1 ZINC000720924369 800272336 /nfs/dbraw/zinc/27/23/36/800272336.db2.gz ZAVUCSVSGQANEI-UHFFFAOYSA-N -1 3 261.699 3.323 20 0 CGADHM CC(C)(C)C(=O)CNc1ccc2c(c1)[N-]C(=S)C2 ZINC001164007681 806874210 /nfs/dbraw/zinc/87/42/10/806874210.db2.gz JKEQURPZNQOZBW-UHFFFAOYSA-N -1 3 262.378 3.009 20 0 CGADHM CCCCCCc1nnc(-c2cc(Cl)n[n-]2)o1 ZINC001256382898 806879043 /nfs/dbraw/zinc/87/90/43/806879043.db2.gz QTJJRBGGFNUURZ-UHFFFAOYSA-N -1 3 254.721 3.236 20 0 CGADHM CCCC[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC001256562582 806916603 /nfs/dbraw/zinc/91/66/03/806916603.db2.gz FQSMQPDKAZTVGY-MRVPVSSYSA-N -1 3 281.830 3.259 20 0 CGADHM Cc1ccc(Nc2ccc([O-])c(F)c2F)cc1O ZINC001211698112 814933795 /nfs/dbraw/zinc/93/37/95/814933795.db2.gz YCYCKXBPYYAUSQ-UHFFFAOYSA-N -1 3 251.232 3.428 20 0 CGADHM COC(=O)c1cc(C(=O)OCc2ccccc2C2CC2)c[n-]1 ZINC001118398076 802560924 /nfs/dbraw/zinc/56/09/24/802560924.db2.gz MSGMRSSXTKAPJI-UHFFFAOYSA-N -1 3 299.326 3.036 20 0 CGADHM O=C(Nc1ccc(F)c([O-])c1)[C@@H]1C[C@@H]1c1ccccc1 ZINC001181454741 810053579 /nfs/dbraw/zinc/05/35/79/810053579.db2.gz QNGHSUQGPZUJAD-CHWSQXEVSA-N -1 3 271.291 3.274 20 0 CGADHM CO[C@H](C)CCOC(=O)c1cccc2[n-]c(C(F)F)nc21 ZINC001122668324 802880486 /nfs/dbraw/zinc/88/04/86/802880486.db2.gz AILWKCLVOOHXBU-MRVPVSSYSA-N -1 3 298.289 3.082 20 0 CGADHM CCCCOc1ccc(F)cc1Nc1cnc[n-]c1=O ZINC001211718868 814935875 /nfs/dbraw/zinc/93/58/75/814935875.db2.gz LCLDJUVAKKTBBN-UHFFFAOYSA-N -1 3 277.299 3.244 20 0 CGADHM CCN(CC)c1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC001243880108 803059106 /nfs/dbraw/zinc/05/91/06/803059106.db2.gz ZUYITTOQWVUQBM-UHFFFAOYSA-N -1 3 293.374 3.380 20 0 CGADHM CCN(CC)c1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC001243880108 803059112 /nfs/dbraw/zinc/05/91/12/803059112.db2.gz ZUYITTOQWVUQBM-UHFFFAOYSA-N -1 3 293.374 3.380 20 0 CGADHM O=C([N-]c1c(Cl)cncc1Cl)c1sccc1F ZINC001126923995 803121257 /nfs/dbraw/zinc/12/12/57/803121257.db2.gz MHUGIRXGCFOTNB-UHFFFAOYSA-N -1 3 291.134 3.263 20 0 CGADHM COc1ccc(-c2ccc(Cc3nnn[n-]3)cc2)c(C)c1C ZINC001244002648 803133848 /nfs/dbraw/zinc/13/38/48/803133848.db2.gz LDJUNFNRGFOJTB-UHFFFAOYSA-N -1 3 294.358 3.083 20 0 CGADHM COc1ccc(-c2ccc(Cc3nn[n-]n3)cc2)c(C)c1C ZINC001244002648 803133851 /nfs/dbraw/zinc/13/38/51/803133851.db2.gz LDJUNFNRGFOJTB-UHFFFAOYSA-N -1 3 294.358 3.083 20 0 CGADHM O=C1Cc2cccc(-c3c([O-])cccc3Cl)c2N1 ZINC001244033134 803152154 /nfs/dbraw/zinc/15/21/54/803152154.db2.gz OTPKWWJAPAXHAX-UHFFFAOYSA-N -1 3 259.692 3.207 20 0 CGADHM O=C1C[C@H](c2cccc(-c3ccc(Cl)cc3[O-])c2)CN1 ZINC001244469287 803385759 /nfs/dbraw/zinc/38/57/59/803385759.db2.gz FZMVTZDIQVGFOG-LBPRGKRZSA-N -1 3 287.746 3.316 20 0 CGADHM Cc1nc2ccc(-c3ccc(Cl)cc3[O-])cn2n1 ZINC001244470047 803386000 /nfs/dbraw/zinc/38/60/00/803386000.db2.gz XAUJPJXAQBJCTN-UHFFFAOYSA-N -1 3 259.696 3.064 20 0 CGADHM COc1cnc(F)c(-c2ccc(Cl)cc2[O-])c1 ZINC001244469189 803386064 /nfs/dbraw/zinc/38/60/64/803386064.db2.gz FOXKCOWLEMYUFH-UHFFFAOYSA-N -1 3 253.660 3.255 20 0 CGADHM COc1cc(-c2ccc(Cl)cc2[O-])cnc1OC ZINC001244469505 803386612 /nfs/dbraw/zinc/38/66/12/803386612.db2.gz KJNUAUNLNRMODR-UHFFFAOYSA-N -1 3 265.696 3.125 20 0 CGADHM [O-]c1cc(Cl)ccc1-c1cnc(OC2CCC2)nc1 ZINC001244471494 803386760 /nfs/dbraw/zinc/38/67/60/803386760.db2.gz GREVFWYVIAJUIK-UHFFFAOYSA-N -1 3 276.723 3.434 20 0 CGADHM Cc1cc(-c2nccc(NCC3CC3)n2)cc([O-])c1F ZINC001244496204 803404079 /nfs/dbraw/zinc/40/40/79/803404079.db2.gz OIBZVQBBRAYCPI-UHFFFAOYSA-N -1 3 273.311 3.119 20 0 CGADHM Cc1[nH]c2ncnc(-c3cc(C)c(F)c([O-])c3)c2c1C ZINC001244507757 803410936 /nfs/dbraw/zinc/41/09/36/803410936.db2.gz XRMWDMGRCQIFMN-UHFFFAOYSA-N -1 3 271.295 3.395 20 0 CGADHM CCCOc1ccnc(-c2cc(C)c(F)c([O-])c2)n1 ZINC001244508869 803411889 /nfs/dbraw/zinc/41/18/89/803411889.db2.gz SUTYKLFYBNIWIK-UHFFFAOYSA-N -1 3 262.284 3.086 20 0 CGADHM Cc1cc(-c2ccc3c(c2)OCCN3C)cc([O-])c1F ZINC001244514766 803413705 /nfs/dbraw/zinc/41/37/05/803413705.db2.gz BQUVFPYAERYMQL-UHFFFAOYSA-N -1 3 273.307 3.335 20 0 CGADHM Cc1cc(-c2cccc3cncnc32)cc([O-])c1F ZINC001244516294 803414069 /nfs/dbraw/zinc/41/40/69/803414069.db2.gz RXGKONAHXXQRPI-UHFFFAOYSA-N -1 3 254.264 3.450 20 0 CGADHM Cc1cc(-c2ccc(Cn3cncn3)cc2)cc([O-])c1F ZINC001244518373 803415066 /nfs/dbraw/zinc/41/50/66/803415066.db2.gz UNECNOIJWGFRFZ-UHFFFAOYSA-N -1 3 283.306 3.147 20 0 CGADHM Cc1cc(-c2ccn(-c3cccnc3)c(=O)c2)cc([O-])c1F ZINC001244525009 803417637 /nfs/dbraw/zinc/41/76/37/803417637.db2.gz KHBWYTCPVDXLFI-UHFFFAOYSA-N -1 3 296.301 3.053 20 0 CGADHM Cc1cc(-c2ccc3c(c2)NC(=O)CO3)cc(Cl)c1[O-] ZINC001244536926 803424183 /nfs/dbraw/zinc/42/41/83/803424183.db2.gz BJUCXYQDDKPOKQ-UHFFFAOYSA-N -1 3 289.718 3.352 20 0 CGADHM Cc1cc(-c2ccc3ncnn3c2)cc(Cl)c1[O-] ZINC001244538230 803425283 /nfs/dbraw/zinc/42/52/83/803425283.db2.gz KJLZDONVLONZRX-UHFFFAOYSA-N -1 3 259.696 3.064 20 0 CGADHM Cc1cc(-c2cccc3c2C(=O)NCC3)cc(Cl)c1[O-] ZINC001244551006 803434054 /nfs/dbraw/zinc/43/40/54/803434054.db2.gz SEUJJCLEEGILHC-UHFFFAOYSA-N -1 3 287.746 3.307 20 0 CGADHM CNC(=O)c1ncc(-c2cc(C)c([O-])c(Cl)c2)cc1C ZINC001244553601 803434659 /nfs/dbraw/zinc/43/46/59/803434659.db2.gz FXEFLHCIGTUWEM-UHFFFAOYSA-N -1 3 290.750 3.084 20 0 CGADHM CN(C)Cc1ccnc(-c2ccc(Cl)c([O-])c2F)c1 ZINC001244631503 803475140 /nfs/dbraw/zinc/47/51/40/803475140.db2.gz OTUDVONWFGYENX-UHFFFAOYSA-N -1 3 280.730 3.308 20 0 CGADHM Cc1cc(OC(C)C)ccc1Nc1cnc[n-]c1=O ZINC001211813161 814944396 /nfs/dbraw/zinc/94/43/96/814944396.db2.gz VLRLTBKXRPQHPM-UHFFFAOYSA-N -1 3 259.309 3.021 20 0 CGADHM CC(C)Oc1ccc(F)c(F)c1-c1ccc(=S)[n-]n1 ZINC001244739760 803516450 /nfs/dbraw/zinc/51/64/50/803516450.db2.gz LPZNCRUDSSVNCO-UHFFFAOYSA-N -1 3 282.315 3.498 20 0 CGADHM CCOc1cc(C)c(C)cc1-c1ccc(=S)[n-]n1 ZINC001245026190 803616314 /nfs/dbraw/zinc/61/63/14/803616314.db2.gz YPJJSGZUHJIIQT-UHFFFAOYSA-N -1 3 260.362 3.448 20 0 CGADHM COc1ccc(-c2cc(Cl)ccc2[O-])c(OC)n1 ZINC001245050882 803622934 /nfs/dbraw/zinc/62/29/34/803622934.db2.gz PMOLRHSKACFCHE-UHFFFAOYSA-N -1 3 265.696 3.125 20 0 CGADHM CC(C)c1nc(-c2ccc([O-])cc2Cl)nc(N(C)C)n1 ZINC001245079200 803635012 /nfs/dbraw/zinc/63/50/12/803635012.db2.gz QMFBRUWBELZMSO-UHFFFAOYSA-N -1 3 292.770 3.087 20 0 CGADHM CSc1nc(NC(=O)c2ccc(C)c3ccccc23)n[n-]1 ZINC001136480176 803644927 /nfs/dbraw/zinc/64/49/27/803644927.db2.gz DTWDQEPVSLYSQO-UHFFFAOYSA-N -1 3 298.371 3.241 20 0 CGADHM C/C(=C/C(=O)NCc1ccc([O-])c(F)c1)c1cccs1 ZINC001137441334 803733327 /nfs/dbraw/zinc/73/33/27/803733327.db2.gz BPQHSFHRJOLEJX-YFHOEESVSA-N -1 3 291.347 3.313 20 0 CGADHM Nc1c(Cl)cc(F)cc1C(=O)Nc1cccc([O-])c1F ZINC001137582742 803740926 /nfs/dbraw/zinc/74/09/26/803740926.db2.gz ZCSLEWVXWRXXJJ-UHFFFAOYSA-N -1 3 298.676 3.158 20 0 CGADHM [O-]c1ccc(Nc2cnc3ccccc3n2)c(F)c1F ZINC001212003035 814964375 /nfs/dbraw/zinc/96/43/75/814964375.db2.gz ONWJIGLMPNYJMA-UHFFFAOYSA-N -1 3 273.242 3.357 20 0 CGADHM Cc1cc(C)n2nc(Nc3ccc([O-])c(F)c3F)cc2n1 ZINC001212002824 814964919 /nfs/dbraw/zinc/96/49/19/814964919.db2.gz FWLZCRTZOUAELA-UHFFFAOYSA-N -1 3 290.273 3.074 20 0 CGADHM O=C1CCc2cc(Nc3ccc([O-])c(F)c3F)ccc2N1 ZINC001212010909 814966993 /nfs/dbraw/zinc/96/69/93/814966993.db2.gz GOOUNRNDMCQLHL-UHFFFAOYSA-N -1 3 290.269 3.299 20 0 CGADHM Fc1ccc2[nH]c(-c3cc(-c4nnn[n-]4)ccc3F)cc2c1 ZINC001245577576 803829010 /nfs/dbraw/zinc/82/90/10/803829010.db2.gz WMGVPCZLWLWMIF-UHFFFAOYSA-N -1 3 297.268 3.293 20 0 CGADHM Fc1ccc2[nH]c(-c3cc(-c4nn[n-]n4)ccc3F)cc2c1 ZINC001245577576 803829019 /nfs/dbraw/zinc/82/90/19/803829019.db2.gz WMGVPCZLWLWMIF-UHFFFAOYSA-N -1 3 297.268 3.293 20 0 CGADHM Fc1ccc2cc(-c3cccc(-c4nnn[n-]4)c3)[nH]c2c1 ZINC001245589820 803836966 /nfs/dbraw/zinc/83/69/66/803836966.db2.gz BVSADSAEALXMNO-UHFFFAOYSA-N -1 3 279.278 3.154 20 0 CGADHM Fc1ccc2cc(-c3cccc(-c4nn[n-]n4)c3)[nH]c2c1 ZINC001245589820 803836975 /nfs/dbraw/zinc/83/69/75/803836975.db2.gz BVSADSAEALXMNO-UHFFFAOYSA-N -1 3 279.278 3.154 20 0 CGADHM O=C1CCCc2cc(-c3c([O-])cccc3F)ccc2N1 ZINC001245654460 803885464 /nfs/dbraw/zinc/88/54/64/803885464.db2.gz FYQOJIQMTLOBTO-UHFFFAOYSA-N -1 3 271.291 3.473 20 0 CGADHM COC(=O)c1ccc(-c2c([O-])cccc2F)c(C)c1F ZINC001245654455 803885567 /nfs/dbraw/zinc/88/55/67/803885567.db2.gz FYIDZRGHLCFRMZ-UHFFFAOYSA-N -1 3 278.254 3.432 20 0 CGADHM CCOC(=O)c1cc(-c2c([O-])cccc2F)cnc1C ZINC001245655762 803887583 /nfs/dbraw/zinc/88/75/83/803887583.db2.gz LYJNXEBVLQHUGG-UHFFFAOYSA-N -1 3 275.279 3.078 20 0 CGADHM [O-]c1cccc(F)c1-c1ccc2nnc(C3CC3)n2c1 ZINC001245655421 803888984 /nfs/dbraw/zinc/88/89/84/803888984.db2.gz CWCJZUJYIVAJQM-UHFFFAOYSA-N -1 3 269.279 3.118 20 0 CGADHM CC1(C)CNC(=O)c2ccc(-c3c([O-])cccc3F)cc21 ZINC001245655790 803889135 /nfs/dbraw/zinc/88/91/35/803889135.db2.gz PGAWIHAHPUGKLM-UHFFFAOYSA-N -1 3 285.318 3.219 20 0 CGADHM COC(=O)c1ccc(N(C)C)c(-c2c([O-])cccc2F)c1 ZINC001245656816 803889925 /nfs/dbraw/zinc/88/99/25/803889925.db2.gz OIXOLTUGQVGTCN-UHFFFAOYSA-N -1 3 289.306 3.051 20 0 CGADHM CC1(C)C(=O)NCc2cc(-c3c([O-])cccc3F)ccc21 ZINC001245656680 803890140 /nfs/dbraw/zinc/89/01/40/803890140.db2.gz ZJXALPKEORCNGH-UHFFFAOYSA-N -1 3 285.318 3.106 20 0 CGADHM Cc1nc(Cl)ccc1-c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001245773158 803955556 /nfs/dbraw/zinc/95/55/56/803955556.db2.gz OUXJFSFDCPYOOR-UHFFFAOYSA-N -1 3 289.701 3.030 20 0 CGADHM Cc1nc(Cl)ccc1-c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001245773158 803955562 /nfs/dbraw/zinc/95/55/62/803955562.db2.gz OUXJFSFDCPYOOR-UHFFFAOYSA-N -1 3 289.701 3.030 20 0 CGADHM CC(C)Oc1cccc(Nc2cc(=O)[n-]c(=S)[nH]2)c1F ZINC001212317793 815004515 /nfs/dbraw/zinc/00/45/15/815004515.db2.gz CRYCGLIKVGFMIB-UHFFFAOYSA-N -1 3 295.339 3.141 20 0 CGADHM [O-]c1ccc(CN2CCC[C@@H]3CCC[C@@H]32)c(F)c1F ZINC001140893174 804542929 /nfs/dbraw/zinc/54/29/29/804542929.db2.gz JUYUYACAFQISGC-JQWIXIFHSA-N -1 3 267.319 3.435 20 0 CGADHM Cc1cccc([O-])c1C(=O)NCc1nc2ccccc2s1 ZINC001141287371 804628101 /nfs/dbraw/zinc/62/81/01/804628101.db2.gz TZKUWMAHTASIDN-UHFFFAOYSA-N -1 3 298.367 3.240 20 0 CGADHM C[C@H](CC1CCCCC1)C(=O)[N-]OCCC1CC1 ZINC001141419985 804639741 /nfs/dbraw/zinc/63/97/41/804639741.db2.gz NGBMTGHUVVCHSR-GFCCVEGCSA-N -1 3 253.386 3.441 20 0 CGADHM CC(C)OC1CN(Cc2c(Cl)cc([O-])cc2Cl)C1 ZINC001142118677 804696284 /nfs/dbraw/zinc/69/62/84/804696284.db2.gz VZNNGXGTSXOFQY-UHFFFAOYSA-N -1 3 290.190 3.308 20 0 CGADHM C[C@@H]1COCCN(Cc2c(Cl)cc([O-])cc2Cl)C1 ZINC001142106122 804696468 /nfs/dbraw/zinc/69/64/68/804696468.db2.gz ZULUYEVWYLEABQ-VIFPVBQESA-N -1 3 290.190 3.167 20 0 CGADHM Cn1c2ccccc2nc1Nc1cc(F)cc(F)c1[O-] ZINC001212477570 815034086 /nfs/dbraw/zinc/03/40/86/815034086.db2.gz IJCOBGKDTCIWHE-UHFFFAOYSA-N -1 3 275.258 3.301 20 0 CGADHM [O-]c1c(F)cc(F)cc1Nc1ccc(Cl)cn1 ZINC001212478104 815034131 /nfs/dbraw/zinc/03/41/31/815034131.db2.gz UXCWHAQXYXEQCG-UHFFFAOYSA-N -1 3 256.639 3.462 20 0 CGADHM C[C@@H]1C[C@@H](NC(=O)Cc2ccc([O-])c(F)c2)c2ccccc21 ZINC001144632959 805015613 /nfs/dbraw/zinc/01/56/13/805015613.db2.gz YHFPYDVGWLIBCK-BDJLRTHQSA-N -1 3 299.345 3.439 20 0 CGADHM C=Cc1ccc(NC(=O)Cc2ccc([O-])c(F)c2)cc1 ZINC001144628775 805016210 /nfs/dbraw/zinc/01/62/10/805016210.db2.gz GZNFIACOAYQFQB-UHFFFAOYSA-N -1 3 271.291 3.356 20 0 CGADHM O=C([O-])c1ccsc1CN1CC2(C1)CCCCC2 ZINC001144677351 805029720 /nfs/dbraw/zinc/02/97/20/805029720.db2.gz MUGWWQKGISWWFL-UHFFFAOYSA-N -1 3 265.378 3.212 20 0 CGADHM CN(Cc1cccs1)Cc1sccc1C(=O)[O-] ZINC001144678353 805034031 /nfs/dbraw/zinc/03/40/31/805034031.db2.gz XAHDEYLACRFEJU-UHFFFAOYSA-N -1 3 267.375 3.140 20 0 CGADHM CSc1cccnc1[N-]C(=O)c1cc(F)cc(F)c1 ZINC001144820327 805057428 /nfs/dbraw/zinc/05/74/28/805057428.db2.gz FOFIWFKGDQXKKT-UHFFFAOYSA-N -1 3 280.299 3.334 20 0 CGADHM CC(C)(C)c1nnc([N-]C(=O)c2cc(Cl)ccc2F)o1 ZINC001148417614 805180978 /nfs/dbraw/zinc/18/09/78/805180978.db2.gz QDNCOQCTDNYRAX-UHFFFAOYSA-N -1 3 297.717 3.412 20 0 CGADHM O=C([N-]c1noc2cccnc21)c1cc(Cl)ccc1F ZINC001148417797 805181384 /nfs/dbraw/zinc/18/13/84/805181384.db2.gz XLTDQBKRXRZVMS-UHFFFAOYSA-N -1 3 291.669 3.268 20 0 CGADHM COc1nc(Cl)ccc1NC(=O)c1ccc(C)cc1[O-] ZINC001148491790 805188447 /nfs/dbraw/zinc/18/84/47/805188447.db2.gz AZTRDUUPFAHGMG-UHFFFAOYSA-N -1 3 292.722 3.010 20 0 CGADHM Cc1ccc(C(=O)NCc2c(C)cccc2C)c([O-])c1 ZINC001148506192 805190984 /nfs/dbraw/zinc/19/09/84/805190984.db2.gz VMGIEFVTGFEOPU-UHFFFAOYSA-N -1 3 269.344 3.247 20 0 CGADHM Cc1ccc(C(=O)N[C@H](c2cccnc2)C(C)C)c([O-])c1 ZINC001148508222 805193432 /nfs/dbraw/zinc/19/34/32/805193432.db2.gz ZJSKVOFDEYELNV-INIZCTEOSA-N -1 3 284.359 3.223 20 0 CGADHM O=C(Nc1ccc(F)c([O-])c1)c1ccc(-c2ncc[nH]2)cc1 ZINC001148719049 805205910 /nfs/dbraw/zinc/20/59/10/805205910.db2.gz LKHPHGQYMJLGAZ-UHFFFAOYSA-N -1 3 297.289 3.174 20 0 CGADHM Cc1nc2ccccc2c(C(=O)N[C@H](C)C(C)C)c1[O-] ZINC001149186768 805224737 /nfs/dbraw/zinc/22/47/37/805224737.db2.gz UVONXYMSGPSZQW-SNVBAGLBSA-N -1 3 272.348 3.023 20 0 CGADHM CCOc1cccc2cc(C(=O)Nc3ncccc3[O-])oc21 ZINC001150513689 805258416 /nfs/dbraw/zinc/25/84/16/805258416.db2.gz HFQPACNRXFDSMG-UHFFFAOYSA-N -1 3 298.298 3.184 20 0 CGADHM COc1ccc(C(=O)Cc2c(F)ccc([O-])c2F)cc1 ZINC001249904701 805294637 /nfs/dbraw/zinc/29/46/37/805294637.db2.gz XJJOAEBNVFFFNK-UHFFFAOYSA-N -1 3 278.254 3.104 20 0 CGADHM O=C(Nc1cc([O-])cc(Cl)c1)c1cc2ccc[nH]c-2n1 ZINC001151547967 805297319 /nfs/dbraw/zinc/29/73/19/805297319.db2.gz ZJIMPZZGCNRWKS-UHFFFAOYSA-N -1 3 287.706 3.174 20 0 CGADHM CNc1nc(C)ccc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC001151753850 805310599 /nfs/dbraw/zinc/31/05/99/805310599.db2.gz PGYMVMKMXPIAOU-UHFFFAOYSA-N -1 3 291.738 3.043 20 0 CGADHM Cc1cccc([O-])c1C(=O)Nc1cncc(C(F)F)c1 ZINC001152454129 805350381 /nfs/dbraw/zinc/35/03/81/805350381.db2.gz XAHRHEGGOQWFRU-UHFFFAOYSA-N -1 3 278.258 3.286 20 0 CGADHM Cc1cc(F)c(F)cc1-c1noc(-c2ccc([O-])cn2)n1 ZINC001212558178 815068568 /nfs/dbraw/zinc/06/85/68/815068568.db2.gz VLCLAQBDDKOXKS-UHFFFAOYSA-N -1 3 289.241 3.091 20 0 CGADHM COc1ccncc1Nc1cc(Cl)c([O-])cc1F ZINC001250021125 805371553 /nfs/dbraw/zinc/37/15/53/805371553.db2.gz YHYHUTUIANMAJJ-UHFFFAOYSA-N -1 3 268.675 3.332 20 0 CGADHM Cc1c(F)ccc(Nc2ncc(F)cc2[O-])c1F ZINC001250048174 805387204 /nfs/dbraw/zinc/38/72/04/805387204.db2.gz CSOVKECVNQYDOD-UHFFFAOYSA-N -1 3 254.211 3.257 20 0 CGADHM CC(C)(C)n1cc(Nc2ncc(Cl)cc2[O-])cn1 ZINC001212567589 815071397 /nfs/dbraw/zinc/07/13/97/815071397.db2.gz GSYSDQCHJJLQBF-UHFFFAOYSA-N -1 3 266.732 3.136 20 0 CGADHM CC(C)(C)n1cc(Nc2cc(F)c([O-])c(F)c2)cn1 ZINC001212571459 815073004 /nfs/dbraw/zinc/07/30/04/815073004.db2.gz TWJOPVUOXVZMPO-UHFFFAOYSA-N -1 3 267.279 3.366 20 0 CGADHM CCOc1cc(Nc2cc(=O)[n-]c(C)n2)ccc1Cl ZINC001212578080 815075390 /nfs/dbraw/zinc/07/53/90/815075390.db2.gz LIEOATSBJZBONV-UHFFFAOYSA-N -1 3 279.727 3.286 20 0 CGADHM O=C(Nc1cc([O-])cc(Cl)c1)c1ccnc2ncccc12 ZINC001154338049 805449412 /nfs/dbraw/zinc/44/94/12/805449412.db2.gz SNDFZQYEUWSSEP-UHFFFAOYSA-N -1 3 299.717 3.241 20 0 CGADHM [O-]c1ccc(F)c(C[C@@H]2COc3ccccc3O2)c1F ZINC001250173275 805460152 /nfs/dbraw/zinc/46/01/52/805460152.db2.gz FUGOIWQRTHBSSK-SECBINFHSA-N -1 3 278.254 3.053 20 0 CGADHM [O-]c1cc(Nc2noc3cnccc32)ccc1Cl ZINC001212589259 815078369 /nfs/dbraw/zinc/07/83/69/815078369.db2.gz CPZDAUKIKOHCEB-UHFFFAOYSA-N -1 3 261.668 3.325 20 0 CGADHM [O-]c1cc(Nc2cccc(-n3cncn3)c2)ccc1Cl ZINC001212593242 815079362 /nfs/dbraw/zinc/07/93/62/815079362.db2.gz HGPIXNIONBWSKF-UHFFFAOYSA-N -1 3 286.722 3.370 20 0 CGADHM [O-]c1ccc(Nc2c(F)ccc(CO)c2F)c(F)c1F ZINC001250255765 805524843 /nfs/dbraw/zinc/52/48/43/805524843.db2.gz MNOVMDYNZOLEGY-UHFFFAOYSA-N -1 3 287.212 3.185 20 0 CGADHM CCCCCC1CCC(Nc2cnc(C)[n-]c2=O)CC1 ZINC001257375165 807132487 /nfs/dbraw/zinc/13/24/87/807132487.db2.gz SXVVYJFIJNUREZ-NRXISQOPSA-N -1 3 277.412 3.113 20 0 CGADHM [O-]c1cncc(-c2nc(-c3cc(F)cc(Cl)c3)no2)c1 ZINC001212708434 815109391 /nfs/dbraw/zinc/10/93/91/815109391.db2.gz HUXWLTCIMIZBJL-UHFFFAOYSA-N -1 3 291.669 3.297 20 0 CGADHM Cc1c(F)cc(-c2noc(-c3cncc([O-])c3)n2)cc1F ZINC001212708869 815110326 /nfs/dbraw/zinc/11/03/26/815110326.db2.gz SWUQEXAAZKFHAC-UHFFFAOYSA-N -1 3 289.241 3.091 20 0 CGADHM CN1CCN(c2cccc(Nc3ccccc3[S-])c2)CC1 ZINC001212713705 815111608 /nfs/dbraw/zinc/11/16/08/815111608.db2.gz CGHMFILCESIGNH-UHFFFAOYSA-N -1 3 299.443 3.471 20 0 CGADHM Cc1ccccc1Cc1nnc(-c2c([O-])cccc2O)o1 ZINC001258381105 807433133 /nfs/dbraw/zinc/43/31/33/807433133.db2.gz FQNOEOSVNQMYPW-UHFFFAOYSA-N -1 3 282.299 3.047 20 0 CGADHM COc1cccc(C)c1[N-]S(=O)(=O)CC1CCCCC1 ZINC001259618791 807683637 /nfs/dbraw/zinc/68/36/37/807683637.db2.gz XNVNNDABXBFSGL-UHFFFAOYSA-N -1 3 297.420 3.326 20 0 CGADHM O=S(=O)([N-]c1ccccc1OCC1CC1)C1CCCC1 ZINC001259802399 807686757 /nfs/dbraw/zinc/68/67/57/807686757.db2.gz HZVGAARHZMQKAU-UHFFFAOYSA-N -1 3 295.404 3.160 20 0 CGADHM Cc1nc(C(F)(F)F)ccc1NCc1ncccc1[O-] ZINC001169732211 807701798 /nfs/dbraw/zinc/70/17/98/807701798.db2.gz IUPSJFPAXJEPKY-UHFFFAOYSA-N -1 3 283.253 3.122 20 0 CGADHM CC(C)c1nnc([N-]C(=O)c2cc3ncccc3o2)s1 ZINC001264270475 808055468 /nfs/dbraw/zinc/05/54/68/808055468.db2.gz SVOBGDCNCGVALC-UHFFFAOYSA-N -1 3 288.332 3.055 20 0 CGADHM O=c1cc(Nc2cc(F)nc(F)c2)n(C2CCCC2)[n-]1 ZINC001213078078 815225146 /nfs/dbraw/zinc/22/51/46/815225146.db2.gz HMPIIFSPDGSMEV-UHFFFAOYSA-N -1 3 280.278 3.121 20 0 CGADHM Cc1nc(Nc2cccc3ccccc32)cc(=O)[n-]1 ZINC001173796139 808672924 /nfs/dbraw/zinc/67/29/24/808672924.db2.gz DKYCNNCBWLEUGP-UHFFFAOYSA-N -1 3 251.289 3.387 20 0 CGADHM COc1ccc(Nc2cc(F)c([O-])c(F)c2)cc1OC ZINC001173885969 808741218 /nfs/dbraw/zinc/74/12/18/808741218.db2.gz IBPFFCSFVWAMIY-UHFFFAOYSA-N -1 3 281.258 3.431 20 0 CGADHM COc1ccc(C(C)C)cc1Nc1cnc[n-]c1=O ZINC001173916146 808757749 /nfs/dbraw/zinc/75/77/49/808757749.db2.gz IFNYTIBCJSAIER-UHFFFAOYSA-N -1 3 259.309 3.058 20 0 CGADHM CN(C)C(=O)c1ccc(Nc2cccc([O-])c2Cl)cc1 ZINC001174008131 808817943 /nfs/dbraw/zinc/81/79/43/808817943.db2.gz PWFKZFYYYDRDQI-UHFFFAOYSA-N -1 3 290.750 3.491 20 0 CGADHM COc1ccc2cc(Nc3cnc[n-]c3=O)ccc2c1 ZINC001174030720 808831318 /nfs/dbraw/zinc/83/13/18/808831318.db2.gz MLUWWOUOWHDEIH-UHFFFAOYSA-N -1 3 267.288 3.088 20 0 CGADHM COc1cncc(Nc2nc3c(cccc3[O-])s2)c1 ZINC001174086856 808854651 /nfs/dbraw/zinc/85/46/51/808854651.db2.gz SHTSXCXHQPZPEC-UHFFFAOYSA-N -1 3 273.317 3.149 20 0 CGADHM COc1cc(F)ccc1Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001174129333 808879867 /nfs/dbraw/zinc/87/98/67/808879867.db2.gz LDTXGCZEPZHROF-UHFFFAOYSA-N -1 3 299.305 3.469 20 0 CGADHM [O-]c1cccc(Nc2ccc3nccn3c2)c1Cl ZINC001174278503 808925959 /nfs/dbraw/zinc/92/59/59/808925959.db2.gz XBARNBRWQWYNRC-UHFFFAOYSA-N -1 3 259.696 3.437 20 0 CGADHM CCOc1ncccc1Nc1cc(F)c([O-])c(F)c1 ZINC001174456597 809019199 /nfs/dbraw/zinc/01/91/99/809019199.db2.gz KZHIOJLZOQDESU-UHFFFAOYSA-N -1 3 266.247 3.208 20 0 CGADHM [O-]c1cc(F)cnc1Nc1ccc(N2CCCCC2)nc1 ZINC001174523025 809061090 /nfs/dbraw/zinc/06/10/90/809061090.db2.gz UKTNVIUSAWBBFB-UHFFFAOYSA-N -1 3 288.326 3.055 20 0 CGADHM Cc1cc(O)ccc1Nc1cc(F)c([O-])c(F)c1 ZINC001174564354 809084879 /nfs/dbraw/zinc/08/48/79/809084879.db2.gz OAIDBDVJGBSDNH-UHFFFAOYSA-N -1 3 251.232 3.428 20 0 CGADHM Cc1nc(Nc2ccc(Oc3cccnc3)cc2)cc(=O)[n-]1 ZINC001174847179 809178334 /nfs/dbraw/zinc/17/83/34/809178334.db2.gz CLBFSZUGYQPDPR-UHFFFAOYSA-N -1 3 294.314 3.422 20 0 CGADHM CN(C)c1ccc(Nc2c(F)cc([O-])cc2F)cc1 ZINC001174878238 809186695 /nfs/dbraw/zinc/18/66/95/809186695.db2.gz BDSRXFMYELFUBU-UHFFFAOYSA-N -1 3 264.275 3.480 20 0 CGADHM COCc1ccc(Nc2ncc(Cl)cc2[O-])cc1 ZINC001174918299 809199729 /nfs/dbraw/zinc/19/97/29/809199729.db2.gz WMXOWUGLQQBIBE-UHFFFAOYSA-N -1 3 264.712 3.331 20 0 CGADHM CN(C)c1cccc(Nc2ccc([O-])c(F)c2F)c1 ZINC001174962243 809218025 /nfs/dbraw/zinc/21/80/25/809218025.db2.gz HWVWDQUZUJOAHG-UHFFFAOYSA-N -1 3 264.275 3.480 20 0 CGADHM [O-]c1c(F)cc(Nc2cnc3ccc(Cl)nn23)cc1F ZINC001213373716 815271867 /nfs/dbraw/zinc/27/18/67/815271867.db2.gz VHDUEWGEPGGHGY-UHFFFAOYSA-N -1 3 296.664 3.110 20 0 CGADHM COc1nc(Cl)ccc1Nc1cc(F)c([O-])c(F)c1 ZINC001213375067 815272329 /nfs/dbraw/zinc/27/23/29/815272329.db2.gz NWXYRZIOGBJUKX-UHFFFAOYSA-N -1 3 286.665 3.471 20 0 CGADHM O=C1OCc2c1cccc2Nc1cc(F)c([O-])c(F)c1 ZINC001213384620 815274506 /nfs/dbraw/zinc/27/45/06/815274506.db2.gz XXFOJEIOPSDEBO-UHFFFAOYSA-N -1 3 277.226 3.084 20 0 CGADHM O=C1CCCc2nc(Nc3c(F)cc([O-])cc3F)sc21 ZINC001175094998 809269072 /nfs/dbraw/zinc/26/90/72/809269072.db2.gz XHVZXYUCWVQFKA-UHFFFAOYSA-N -1 3 296.298 3.390 20 0 CGADHM O=C1OCc2cc(Nc3c(F)cc([O-])cc3F)ccc21 ZINC001175099650 809271310 /nfs/dbraw/zinc/27/13/10/809271310.db2.gz BYVUIAJGCWAGQI-UHFFFAOYSA-N -1 3 277.226 3.084 20 0 CGADHM Cc1nc(Nc2cc(F)c(OC(C)C)c(F)c2)cc(=O)[n-]1 ZINC001213417426 815277924 /nfs/dbraw/zinc/27/79/24/815277924.db2.gz PMVUNMVOWMNMDC-UHFFFAOYSA-N -1 3 295.289 3.300 20 0 CGADHM [O-]c1ccc(F)c(Nc2ncc(O)cc2Cl)c1F ZINC001175264250 809329451 /nfs/dbraw/zinc/32/94/51/809329451.db2.gz DWRPJPVAOPNQHI-UHFFFAOYSA-N -1 3 272.638 3.168 20 0 CGADHM CCOc1cncc(Nc2c(F)ccc([O-])c2F)c1 ZINC001175264577 809329702 /nfs/dbraw/zinc/32/97/02/809329702.db2.gz XYOAWABAMXIBPG-UHFFFAOYSA-N -1 3 266.247 3.208 20 0 CGADHM COc1ccc(Nc2c(F)ccc([O-])c2F)cc1O ZINC001175266308 809330473 /nfs/dbraw/zinc/33/04/73/809330473.db2.gz WWINVTMCVMTCGC-UHFFFAOYSA-N -1 3 267.231 3.128 20 0 CGADHM COc1cccc(Nc2c(F)ccc([O-])c2F)c1 ZINC001175265341 809330574 /nfs/dbraw/zinc/33/05/74/809330574.db2.gz MAIHYLKTHHQAPI-UHFFFAOYSA-N -1 3 251.232 3.423 20 0 CGADHM [O-]c1ccc(F)c(Nc2nnccc2C(F)(F)F)c1F ZINC001175266371 809330855 /nfs/dbraw/zinc/33/08/55/809330855.db2.gz YSLKMPFSANOTMT-UHFFFAOYSA-N -1 3 291.179 3.223 20 0 CGADHM [O-]c1ccc(F)c(Nc2cn(CC3CC3)cn2)c1F ZINC001175266707 809331040 /nfs/dbraw/zinc/33/10/40/809331040.db2.gz XQEHXQRGNQRFBF-UHFFFAOYSA-N -1 3 265.263 3.021 20 0 CGADHM O=C1NCc2ccc(Nc3c(F)ccc([O-])c3F)cc2N1 ZINC001175270717 809334798 /nfs/dbraw/zinc/33/47/98/809334798.db2.gz IDOMFMUNVVCEHD-UHFFFAOYSA-N -1 3 291.257 3.049 20 0 CGADHM Cc1ccc(Nc2ccc(-c3nn[n-]n3)cc2)cc1F ZINC001175429567 809401201 /nfs/dbraw/zinc/40/12/01/809401201.db2.gz WPEGNYJFWFOAGQ-UHFFFAOYSA-N -1 3 269.283 3.058 20 0 CGADHM CCCOc1ccc(Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001175428190 809401360 /nfs/dbraw/zinc/40/13/60/809401360.db2.gz FUYNSEKFHRHUBS-UHFFFAOYSA-N -1 3 295.346 3.399 20 0 CGADHM Cc1ccc2n[nH]cc2c1Nc1ncc(Cl)cc1[O-] ZINC001175524876 809442392 /nfs/dbraw/zinc/44/23/92/809442392.db2.gz ZJYDFPIPLGSNSY-UHFFFAOYSA-N -1 3 274.711 3.369 20 0 CGADHM COc1cc(C)ccc1-c1noc(-c2cc(Cl)n[n-]2)n1 ZINC001213500362 815290724 /nfs/dbraw/zinc/29/07/24/815290724.db2.gz FUOKKMZRYKAJQJ-UHFFFAOYSA-N -1 3 290.710 3.097 20 0 CGADHM Cc1cc(Cl)ncc1NC(=O)Cc1ccc([O-])c(F)c1 ZINC001295053858 809478901 /nfs/dbraw/zinc/47/89/01/809478901.db2.gz XWNZFMSAQKQLSW-UHFFFAOYSA-N -1 3 294.713 3.069 20 0 CGADHM Cc1nc(C)c(CC(=O)Nc2cc(Cl)ccc2[O-])s1 ZINC001295350271 809485888 /nfs/dbraw/zinc/48/58/88/809485888.db2.gz BVXFATYPRIDLFK-UHFFFAOYSA-N -1 3 296.779 3.300 20 0 CGADHM Cc1cc2[nH]c(C(=O)Nc3nc(C)ccc3[O-])cc2c(C)c1 ZINC001297159361 809513703 /nfs/dbraw/zinc/51/37/03/809513703.db2.gz UZCSQQANWZWHBM-UHFFFAOYSA-N -1 3 295.342 3.446 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)C[C@@H](C)Cc1cccc(OC)c1 ZINC001298607031 809534961 /nfs/dbraw/zinc/53/49/61/809534961.db2.gz OSCJVYPIXAKZGK-KGLIPLIRSA-N -1 3 293.407 3.358 20 0 CGADHM Cc1cccc([O-])c1C(=O)NCC1(C2CCC2)CCC1 ZINC001299038388 809543083 /nfs/dbraw/zinc/54/30/83/809543083.db2.gz RTDIHYSXXXJEEX-UHFFFAOYSA-N -1 3 273.376 3.401 20 0 CGADHM CCc1cccc(N(C)C(=O)c2cccc(OC)c2[O-])c1 ZINC001299058702 809544106 /nfs/dbraw/zinc/54/41/06/809544106.db2.gz VDACAOSWYXXGLW-UHFFFAOYSA-N -1 3 285.343 3.240 20 0 CGADHM COc1cc(F)c(C(C)C)cc1Nc1cnc[n-]c1=O ZINC001175829971 809551310 /nfs/dbraw/zinc/55/13/10/809551310.db2.gz VCSIWYULZSXJLP-UHFFFAOYSA-N -1 3 277.299 3.197 20 0 CGADHM Cc1ncc(Nc2cc(C)c(Cl)cc2F)c(=O)[n-]1 ZINC001176526057 809710705 /nfs/dbraw/zinc/71/07/05/809710705.db2.gz INZXICAOYHCJTI-UHFFFAOYSA-N -1 3 267.691 3.335 20 0 CGADHM Nc1cc(Cl)ccc1Nc1ncc(Cl)cc1[O-] ZINC001213645788 815316015 /nfs/dbraw/zinc/31/60/15/815316015.db2.gz DJGBAJGPZQGQOM-UHFFFAOYSA-N -1 3 270.119 3.420 20 0 CGADHM CC(C)(C[N-]C(=O)C(F)(F)C(F)(F)Cl)CC1CC1 ZINC001179782078 809944620 /nfs/dbraw/zinc/94/46/20/809944620.db2.gz ZJMJPDYCNUUDLV-UHFFFAOYSA-N -1 3 289.700 3.396 20 0 CGADHM CC(=O)c1cccc([O-])c1NC(=O)Cc1ccc(C)c(C)c1 ZINC001180462105 810003643 /nfs/dbraw/zinc/00/36/43/810003643.db2.gz VOINTQMEDONQFY-UHFFFAOYSA-N -1 3 297.354 3.393 20 0 CGADHM Cc1ncc(Nc2ccc3sccc3c2)c(=O)[n-]1 ZINC001213928430 815347526 /nfs/dbraw/zinc/34/75/26/815347526.db2.gz NYADUKIDMULWNJ-UHFFFAOYSA-N -1 3 257.318 3.449 20 0 CGADHM Cc1cc(F)ccc1[C@H](C)NC(=O)c1c([O-])cccc1O ZINC001184247332 810185114 /nfs/dbraw/zinc/18/51/14/810185114.db2.gz YQAJBQVQCIAMJL-JTQLQIEISA-N -1 3 289.306 3.036 20 0 CGADHM Cc1ccc([O-])c(NC(=O)Nc2c(F)cc(F)cc2F)n1 ZINC001186017557 810309563 /nfs/dbraw/zinc/30/95/63/810309563.db2.gz CFVNPHNADGKZRV-UHFFFAOYSA-N -1 3 297.236 3.157 20 0 CGADHM O=C(Nc1nccs1)Nc1c([O-])cccc1Cl ZINC001189376441 810565161 /nfs/dbraw/zinc/56/51/61/810565161.db2.gz GNWJVHSZVHSSSZ-UHFFFAOYSA-N -1 3 269.713 3.146 20 0 CGADHM O=C(Nc1ccc(F)c([O-])c1)c1c[nH]nc1-c1ccccc1 ZINC001189695445 810586045 /nfs/dbraw/zinc/58/60/45/810586045.db2.gz YGHBJBQZMHDTEE-UHFFFAOYSA-N -1 3 297.289 3.174 20 0 CGADHM CC(C)(C)C1CCN(C(=O)c2ccc(=O)[n-]c2Cl)CC1 ZINC001190902874 810655128 /nfs/dbraw/zinc/65/51/28/810655128.db2.gz JKLNRIIQUARHBW-UHFFFAOYSA-N -1 3 296.798 3.339 20 0 CGADHM Cc1cccc(CNC(=O)Nc2cc(F)ccc2[O-])c1 ZINC001190995279 810661844 /nfs/dbraw/zinc/66/18/44/810661844.db2.gz WVRAWJBCULTFLM-UHFFFAOYSA-N -1 3 274.295 3.161 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-]CC2(C)CCC(C)(C)CC2)o1 ZINC001191393989 810710139 /nfs/dbraw/zinc/71/01/39/810710139.db2.gz CTXDOISUWWNMRF-UHFFFAOYSA-N -1 3 299.436 3.473 20 0 CGADHM CCCc1cc(C(=O)Nc2nc(C)ccc2[O-])ccc1F ZINC001191975467 810760916 /nfs/dbraw/zinc/76/09/16/810760916.db2.gz ZTRXIUBCHCBWAA-UHFFFAOYSA-N -1 3 288.322 3.440 20 0 CGADHM CC(C)(C)c1ccc(C(=O)N2CCc3[nH]ccc3C2)c([O-])c1 ZINC001192322841 810788252 /nfs/dbraw/zinc/78/82/52/810788252.db2.gz PWUOVJNFQMCTCM-UHFFFAOYSA-N -1 3 298.386 3.216 20 0 CGADHM O=C(Nc1ccc([O-])c(F)c1)N[C@@H]1CCc2ccccc21 ZINC001192989912 810840985 /nfs/dbraw/zinc/84/09/85/810840985.db2.gz RIGJMGRGDJCFRM-CQSZACIVSA-N -1 3 286.306 3.340 20 0 CGADHM CCCCCNC(=O)Nc1cc([O-])cc(Cl)c1 ZINC001193326545 810872368 /nfs/dbraw/zinc/87/23/68/810872368.db2.gz QOWVPTDIFQZKIH-UHFFFAOYSA-N -1 3 256.733 3.357 20 0 CGADHM Cc1cc(O)cc([O-])c1C(=O)N(C)CCCc1ccccc1 ZINC001193928455 810980402 /nfs/dbraw/zinc/98/04/02/810980402.db2.gz CXUQZPLXKXUSAT-UHFFFAOYSA-N -1 3 299.370 3.111 20 0 CGADHM O=C(Nc1cncc([O-])c1)c1cncc(-c2ccsc2)c1 ZINC001193982800 810993530 /nfs/dbraw/zinc/99/35/30/810993530.db2.gz XNTAUVKAICXAOT-UHFFFAOYSA-N -1 3 297.339 3.163 20 0 CGADHM CCCCCCOC(=O)Nc1cc([O-])ccc1C(=O)OC ZINC001194191341 811031953 /nfs/dbraw/zinc/03/19/53/811031953.db2.gz GLVBPRQEBCCELX-UHFFFAOYSA-N -1 3 295.335 3.308 20 0 CGADHM Cn1cnc2cc(Nc3c(Cl)ccc([O-])c3F)cnc21 ZINC001214554055 815422069 /nfs/dbraw/zinc/42/20/69/815422069.db2.gz IXDKRXWNRJGWIT-UHFFFAOYSA-N -1 3 292.701 3.210 20 0 CGADHM COc1cc(OC)c(Nc2c(Cl)ccc([O-])c2F)cn1 ZINC001214559904 815424808 /nfs/dbraw/zinc/42/48/08/815424808.db2.gz VCNYXPQPIPBIMR-UHFFFAOYSA-N -1 3 298.701 3.341 20 0 CGADHM CC(C)n1cncc1C(=O)Nc1cc([O-])cc(Cl)c1 ZINC001198113882 811478338 /nfs/dbraw/zinc/47/83/38/811478338.db2.gz AUUIGMLGPFHXNM-UHFFFAOYSA-N -1 3 279.727 3.075 20 0 CGADHM C=CS(=O)(=O)[N-]c1ccc(F)c(F)c1OCCCC ZINC001198610620 811524172 /nfs/dbraw/zinc/52/41/72/811524172.db2.gz OQHAIFKLNGLUQW-UHFFFAOYSA-N -1 3 291.319 3.029 20 0 CGADHM CC[C@H](C)CNC(=S)Nc1ccc(Cl)cc1[O-] ZINC001200254528 811654233 /nfs/dbraw/zinc/65/42/33/811654233.db2.gz PSOSMXKCVDSZAE-QMMMGPOBSA-N -1 3 272.801 3.378 20 0 CGADHM CC(C)(C)NC(=S)Nc1c([O-])cccc1Cl ZINC001200908500 811763999 /nfs/dbraw/zinc/76/39/99/811763999.db2.gz XCHSMJSVAJYZRR-UHFFFAOYSA-N -1 3 258.774 3.131 20 0 CGADHM [O-]c1cc(Nc2ccc(CO)c(F)c2F)c(F)cc1F ZINC001215035414 815478024 /nfs/dbraw/zinc/47/80/24/815478024.db2.gz STSFHAJJLVPCFA-UHFFFAOYSA-N -1 3 287.212 3.185 20 0 CGADHM CC(=O)c1cccc(-c2noc(-c3ccc([O-])cc3)n2)c1 ZINC001215203947 815495022 /nfs/dbraw/zinc/49/50/22/815495022.db2.gz HJVJVEHYVIVGEI-UHFFFAOYSA-N -1 3 280.283 3.312 20 0 CGADHM Cc1ccc([O-])c(NC(=O)Nc2ccc(Cl)cc2)n1 ZINC001202364858 812076727 /nfs/dbraw/zinc/07/67/27/812076727.db2.gz WEKNWHANLSDIOK-UHFFFAOYSA-N -1 3 277.711 3.393 20 0 CGADHM Cc1cc(C)c(NC(=O)Nc2cncc([O-])c2)c(C)c1 ZINC001202951074 812207339 /nfs/dbraw/zinc/20/73/39/812207339.db2.gz VSTYMPYVEACVAA-UHFFFAOYSA-N -1 3 271.320 3.356 20 0 CGADHM COc1ccc(Nc2ncc(F)cc2[O-])cc1OC(C)C ZINC001203017074 812217580 /nfs/dbraw/zinc/21/75/80/812217580.db2.gz VWSNFYKLICGNNO-UHFFFAOYSA-N -1 3 292.310 3.466 20 0 CGADHM CCOc1cc(C)c([N-]c2nnc(C(C)C)o2)cn1 ZINC001203041252 812225208 /nfs/dbraw/zinc/22/52/08/812225208.db2.gz XEFJOOFBRLGYCX-UHFFFAOYSA-N -1 3 262.313 3.039 20 0 CGADHM O=C1COc2ccc(Nc3ccc([O-])c(Cl)c3)cc2N1 ZINC001203184129 812263248 /nfs/dbraw/zinc/26/32/48/812263248.db2.gz AIUUFUXZMXXMBO-UHFFFAOYSA-N -1 3 290.706 3.120 20 0 CGADHM Cc1ccc(Nc2cc(=O)n(-c3ccccc3)[n-]2)c(C)n1 ZINC001203369886 812329135 /nfs/dbraw/zinc/32/91/35/812329135.db2.gz DUOVZBHARFPZKA-UHFFFAOYSA-N -1 3 280.331 3.333 20 0 CGADHM CCOC(=O)c1cnoc1[N-]c1cc(F)cc2[nH]ccc21 ZINC001203724957 812441829 /nfs/dbraw/zinc/44/18/29/812441829.db2.gz BVBWWAZBGIZRRG-UHFFFAOYSA-N -1 3 289.266 3.215 20 0 CGADHM [O-]c1cc(Nc2cc3[nH]ncc3c(F)c2)cc(F)c1F ZINC001215557129 815533980 /nfs/dbraw/zinc/53/39/80/815533980.db2.gz RDWISQWSMVPNBM-UHFFFAOYSA-N -1 3 279.221 3.429 20 0 CGADHM CCOc1ccncc1Nc1cc(F)c([O-])cc1F ZINC001215570747 815535997 /nfs/dbraw/zinc/53/59/97/815535997.db2.gz MUQZTMHSQRHHHX-UHFFFAOYSA-N -1 3 266.247 3.208 20 0 CGADHM COc1ccc(Nc2cc(F)c([O-])cc2F)c(Cl)n1 ZINC001215570544 815536275 /nfs/dbraw/zinc/53/62/75/815536275.db2.gz LCRGDKQPNNGIPN-UHFFFAOYSA-N -1 3 286.665 3.471 20 0 CGADHM [O-]c1cc(F)c(Nc2nnccc2C(F)(F)F)cc1F ZINC001215572369 815537136 /nfs/dbraw/zinc/53/71/36/815537136.db2.gz FCBFKGVOTINGOQ-UHFFFAOYSA-N -1 3 291.179 3.223 20 0 CGADHM CCc1cccc(Nc2cc(F)c([O-])cc2F)n1 ZINC001215572169 815537623 /nfs/dbraw/zinc/53/76/23/815537623.db2.gz OIDDTJMSZRGQQB-UHFFFAOYSA-N -1 3 250.248 3.371 20 0 CGADHM CCOc1ccnc(-c2ccc([O-])cc2C(F)(F)F)n1 ZINC001205066337 812845124 /nfs/dbraw/zinc/84/51/24/812845124.db2.gz LKMKSEIKNLDBGZ-UHFFFAOYSA-N -1 3 284.237 3.267 20 0 CGADHM Fc1ccc(-c2ccccc2-c2nnn[n-]2)c(Cl)c1F ZINC001205675694 813049590 /nfs/dbraw/zinc/04/95/90/813049590.db2.gz LVOGMIIOWQGDMJ-UHFFFAOYSA-N -1 3 292.676 3.465 20 0 CGADHM Fc1ccc(-c2ccccc2-c2nn[n-]n2)c(Cl)c1F ZINC001205675694 813049596 /nfs/dbraw/zinc/04/95/96/813049596.db2.gz LVOGMIIOWQGDMJ-UHFFFAOYSA-N -1 3 292.676 3.465 20 0 CGADHM CSc1ccc(F)cc1-c1ccccc1-c1nnn[n-]1 ZINC001205968915 813148510 /nfs/dbraw/zinc/14/85/10/813148510.db2.gz NLNUNWVUNXOVCQ-UHFFFAOYSA-N -1 3 286.335 3.395 20 0 CGADHM CSc1ccc(F)cc1-c1ccccc1-c1nn[n-]n1 ZINC001205968915 813148514 /nfs/dbraw/zinc/14/85/14/813148514.db2.gz NLNUNWVUNXOVCQ-UHFFFAOYSA-N -1 3 286.335 3.395 20 0 CGADHM [O-]c1ccc(-c2ccnc(-c3cccnc3)n2)c(F)c1 ZINC001206030053 813172740 /nfs/dbraw/zinc/17/27/40/813172740.db2.gz MSJLOVSZIUJNJD-UHFFFAOYSA-N -1 3 267.263 3.050 20 0 CGADHM CC(C)c1cc(-c2ccc([O-])cc2F)nc(N(C)C)n1 ZINC001206044424 813180044 /nfs/dbraw/zinc/18/00/44/813180044.db2.gz KFSUHUYTEPGMNQ-UHFFFAOYSA-N -1 3 275.327 3.178 20 0 CGADHM CCOC(=O)c1ccc(OC)cc1-c1ccc([O-])cc1F ZINC001206072785 813190640 /nfs/dbraw/zinc/19/06/40/813190640.db2.gz GLAVULKESZSMDJ-UHFFFAOYSA-N -1 3 290.290 3.384 20 0 CGADHM [O-]c1cc(Br)cnc1Nc1ccc(F)cc1O ZINC001210014309 814243062 /nfs/dbraw/zinc/24/30/62/814243062.db2.gz IOKDIFZULGSTPL-UHFFFAOYSA-N -1 3 299.099 3.138 20 0 CGADHM Nc1cc(Cl)cc2c1cnn2-c1cccc(F)c1[O-] ZINC001210201174 814336544 /nfs/dbraw/zinc/33/65/44/814336544.db2.gz HFJSDZVVENNGBJ-UHFFFAOYSA-N -1 3 277.686 3.106 20 0 CGADHM [O-]c1c(Cl)cccc1Nc1cccn2ccnc12 ZINC001210215358 814345356 /nfs/dbraw/zinc/34/53/56/814345356.db2.gz FTDNUIFICITAFR-UHFFFAOYSA-N -1 3 259.696 3.437 20 0 CGADHM [O-]c1cc(F)cnc1Nc1cccc(Cl)c1O ZINC001210219125 814346688 /nfs/dbraw/zinc/34/66/88/814346688.db2.gz PBSCILZOAKMRPG-UHFFFAOYSA-N -1 3 254.648 3.029 20 0 CGADHM [O-]c1c(Cl)cccc1Nc1ncc(F)cc1O ZINC001210219125 814346697 /nfs/dbraw/zinc/34/66/97/814346697.db2.gz PBSCILZOAKMRPG-UHFFFAOYSA-N -1 3 254.648 3.029 20 0 CGADHM Nc1ccc(O)c(Nc2cccc(Cl)c2[O-])c1 ZINC001210221992 814348101 /nfs/dbraw/zinc/34/81/01/814348101.db2.gz IDPULDSALQANHV-UHFFFAOYSA-N -1 3 250.685 3.077 20 0 CGADHM O=C1OCc2ccc(Nc3cccc(Cl)c3[O-])cc21 ZINC001210220407 814349445 /nfs/dbraw/zinc/34/94/45/814349445.db2.gz VJMZCMBIGHEWNX-UHFFFAOYSA-N -1 3 275.691 3.460 20 0 CGADHM [O-]c1c(Cl)cccc1Nc1ccc(F)cc1OCCO ZINC001210223269 814351848 /nfs/dbraw/zinc/35/18/48/814351848.db2.gz LXXYSKCZPSGDDR-UHFFFAOYSA-N -1 3 297.713 3.299 20 0 CGADHM Cc1ncc(Nc2nc3c(cccc3[O-])s2)cc1N ZINC001210285275 814381045 /nfs/dbraw/zinc/38/10/45/814381045.db2.gz MTKWJGYIBHGMJQ-UHFFFAOYSA-N -1 3 272.333 3.031 20 0 CGADHM COc1cc(-c2ccc3c(c2)[N-]C(=S)C3)cc(C)n1 ZINC001242749926 823123117 /nfs/dbraw/zinc/12/31/17/823123117.db2.gz QJINLVHUBBWMSA-UHFFFAOYSA-N -1 3 270.357 3.361 20 0 CGADHM [O-]c1c(F)cc(Nc2ccc3ncncc3c2)cc1F ZINC001210456727 814467409 /nfs/dbraw/zinc/46/74/09/814467409.db2.gz CUPZYAQTMIUBSN-UHFFFAOYSA-N -1 3 273.242 3.357 20 0 CGADHM CCc1ncccc1Nc1ncc(Br)cc1[O-] ZINC001210463243 814470596 /nfs/dbraw/zinc/47/05/96/814470596.db2.gz BAJZAFBIRZQSQR-UHFFFAOYSA-N -1 3 294.152 3.251 20 0 CGADHM CCOc1cncc([N-]c2nc(C(C)(C)C)ns2)c1 ZINC001210659934 814574358 /nfs/dbraw/zinc/57/43/58/814574358.db2.gz UALIMBJOFCFHIM-UHFFFAOYSA-N -1 3 278.381 3.373 20 0 CGADHM [O-]c1cccc(Nc2cnnc(Cl)c2)c1Cl ZINC001210844389 814649126 /nfs/dbraw/zinc/64/91/26/814649126.db2.gz FMSADOAEBVDKIF-UHFFFAOYSA-N -1 3 256.092 3.233 20 0 CGADHM CCOc1cc(Nc2cccc([O-])c2Cl)no1 ZINC001210853940 814651951 /nfs/dbraw/zinc/65/19/51/814651951.db2.gz QUSJEWKLLIBCNX-UHFFFAOYSA-N -1 3 254.673 3.176 20 0 CGADHM Cc1ccc(C(N)=O)cc1Nc1cccc([O-])c1Cl ZINC001210854882 814652502 /nfs/dbraw/zinc/65/25/02/814652502.db2.gz MSEAZEXBEACCDF-UHFFFAOYSA-N -1 3 276.723 3.197 20 0 CGADHM CCc1nnc2ccc(Nc3cccc([O-])c3Cl)cn21 ZINC001210854934 814652640 /nfs/dbraw/zinc/65/26/40/814652640.db2.gz FQYFIVGXOCZSTL-UHFFFAOYSA-N -1 3 288.738 3.394 20 0 CGADHM O=C1Cc2cc(F)cc(Nc3cccc([O-])c3Cl)c2N1 ZINC001210859974 814655071 /nfs/dbraw/zinc/65/50/71/814655071.db2.gz OQWYXRQEHWAOCD-UHFFFAOYSA-N -1 3 292.697 3.423 20 0 CGADHM CSc1ccc(Nc2cc(=O)[n-]c(=S)[nH]2)c(F)c1 ZINC001210870474 814659637 /nfs/dbraw/zinc/65/96/37/814659637.db2.gz YAZORYDCBNXCHB-UHFFFAOYSA-N -1 3 283.353 3.076 20 0 CGADHM CCCn1nccc1Nc1cc(F)cc(F)c1[O-] ZINC001210920934 814676471 /nfs/dbraw/zinc/67/64/71/814676471.db2.gz WIAKQTQVHURIJD-UHFFFAOYSA-N -1 3 253.252 3.021 20 0 CGADHM COC(=O)c1ccc([O-])cc1N=C(C)c1ccccc1 ZINC001210987442 814699746 /nfs/dbraw/zinc/69/97/46/814699746.db2.gz VZNRXOJZIUDKJL-UHFFFAOYSA-N -1 3 269.300 3.262 20 0 CGADHM Cc1cc(Nc2cc(=O)n(-c3ccccc3)[n-]2)cc(O)c1F ZINC001216079964 815685475 /nfs/dbraw/zinc/68/54/75/815685475.db2.gz YSFZJOWBGGOUGA-UHFFFAOYSA-N -1 3 299.305 3.475 20 0 CGADHM Cc1cc(C)c(N)c(Nc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC001216096395 815691587 /nfs/dbraw/zinc/69/15/87/815691587.db2.gz OKYFVPQPCBNLHT-UHFFFAOYSA-N -1 3 270.336 3.002 20 0 CGADHM O=c1cc(Nc2ccc(F)c3ccoc32)[nH]c(=S)[n-]1 ZINC001216294658 815769939 /nfs/dbraw/zinc/76/99/39/815769939.db2.gz CMFSHORFVISQSC-UHFFFAOYSA-N -1 3 277.280 3.100 20 0 CGADHM Cc1nc(Nc2cc(F)c(F)cc2Cl)cc(=O)[n-]1 ZINC001216369007 815800736 /nfs/dbraw/zinc/80/07/36/815800736.db2.gz JSSWDLFTXAQAHD-UHFFFAOYSA-N -1 3 271.654 3.166 20 0 CGADHM CC(C)c1ccc(Nc2cc(=O)[n-]c(=S)[nH]2)c(Cl)n1 ZINC001216442942 815831171 /nfs/dbraw/zinc/83/11/71/815831171.db2.gz BZYCOXIMMSBWGC-UHFFFAOYSA-N -1 3 296.783 3.386 20 0 CGADHM Cc1cccc([O-])c1-c1nc(-c2cccc3ccnn32)no1 ZINC001216540527 815853988 /nfs/dbraw/zinc/85/39/88/815853988.db2.gz VPFZXBDQYHPENW-UHFFFAOYSA-N -1 3 292.298 3.065 20 0 CGADHM CC(C)(C)c1nnc([N-]c2cncn2Cc2ccccc2)o1 ZINC001216550062 815856012 /nfs/dbraw/zinc/85/60/12/815856012.db2.gz ISQFXFGIWUUTPH-UHFFFAOYSA-N -1 3 297.362 3.356 20 0 CGADHM CCn1ncc2cc([N-]c3nnc(C(C)(C)C)o3)ccc21 ZINC001216589002 815867375 /nfs/dbraw/zinc/86/73/75/815867375.db2.gz SHCHYDQAQUTQQC-UHFFFAOYSA-N -1 3 285.351 3.480 20 0 CGADHM Clc1ccc2[n-]c(-c3nc(-c4cccnc4)no3)nc2c1 ZINC001217257008 815916856 /nfs/dbraw/zinc/91/68/56/815916856.db2.gz GXISPCMUJMHSJU-UHFFFAOYSA-N -1 3 297.705 3.328 20 0 CGADHM Clc1ccc2nc(-c3nc(-c4cccnc4)no3)[n-]c2c1 ZINC001217257008 815916860 /nfs/dbraw/zinc/91/68/60/815916860.db2.gz GXISPCMUJMHSJU-UHFFFAOYSA-N -1 3 297.705 3.328 20 0 CGADHM Clc1ccc2[n-]c(-c3nc(-c4ccccc4)no3)nc2n1 ZINC001217551814 815932403 /nfs/dbraw/zinc/93/24/03/815932403.db2.gz UTICBKNVIKYWPJ-UHFFFAOYSA-N -1 3 297.705 3.328 20 0 CGADHM Clc1ccc2nc(-c3nc(-c4ccccc4)no3)nc-2[n-]1 ZINC001217551814 815932404 /nfs/dbraw/zinc/93/24/04/815932404.db2.gz UTICBKNVIKYWPJ-UHFFFAOYSA-N -1 3 297.705 3.328 20 0 CGADHM Clc1ccc2nc(-c3nc(-c4ccccc4)no3)[n-]c2n1 ZINC001217551814 815932407 /nfs/dbraw/zinc/93/24/07/815932407.db2.gz UTICBKNVIKYWPJ-UHFFFAOYSA-N -1 3 297.705 3.328 20 0 CGADHM C=C(c1ccccc1)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001242891998 823165287 /nfs/dbraw/zinc/16/52/87/823165287.db2.gz DHQFWJAMYTWCID-UHFFFAOYSA-N -1 3 266.279 3.067 20 0 CGADHM C=C(c1ccccc1)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001242891998 823165288 /nfs/dbraw/zinc/16/52/88/823165288.db2.gz DHQFWJAMYTWCID-UHFFFAOYSA-N -1 3 266.279 3.067 20 0 CGADHM S=c1ccc(-c2cncc(-c3ccccc3)c2)n[n-]1 ZINC001242912749 823171168 /nfs/dbraw/zinc/17/11/68/823171168.db2.gz ONGDCRPCKUTYHN-UHFFFAOYSA-N -1 3 265.341 3.494 20 0 CGADHM COCc1ccc(Cl)c(-c2ccc(=S)[n-]n2)c1 ZINC001222251144 816387421 /nfs/dbraw/zinc/38/74/21/816387421.db2.gz NZNWKMJUCQTGJO-UHFFFAOYSA-N -1 3 266.753 3.232 20 0 CGADHM Clc1ccccc1-c1ccc(-c2nnn[n-]2)cc1 ZINC001222437380 816445447 /nfs/dbraw/zinc/44/54/47/816445447.db2.gz NGYQYJPWTDZNIR-UHFFFAOYSA-N -1 3 256.696 3.187 20 0 CGADHM Clc1ccccc1-c1ccc(-c2nn[n-]n2)cc1 ZINC001222437380 816445448 /nfs/dbraw/zinc/44/54/48/816445448.db2.gz NGYQYJPWTDZNIR-UHFFFAOYSA-N -1 3 256.696 3.187 20 0 CGADHM CCOc1cc(-c2ccc(F)c([O-])c2)cnc1F ZINC001243046404 823223646 /nfs/dbraw/zinc/22/36/46/823223646.db2.gz GRCJUORUDSBMRT-UHFFFAOYSA-N -1 3 251.232 3.131 20 0 CGADHM [O-]c1cc(-c2ccc(-n3cccc3)cn2)ccc1F ZINC001243046824 823223703 /nfs/dbraw/zinc/22/37/03/823223703.db2.gz JUFJUUPFGWMVMF-UHFFFAOYSA-N -1 3 254.264 3.384 20 0 CGADHM CC(=O)N1CCc2cc(-c3ccc(F)c([O-])c3)ccc21 ZINC001243048578 823225506 /nfs/dbraw/zinc/22/55/06/823225506.db2.gz KTJFQPBDZWSZOV-UHFFFAOYSA-N -1 3 271.291 3.107 20 0 CGADHM O=C1CSc2cc(-c3ccc(F)c([O-])c3)ccc2N1 ZINC001243051555 823228303 /nfs/dbraw/zinc/22/83/03/823228303.db2.gz NPMCFFUWPNITNX-UHFFFAOYSA-N -1 3 275.304 3.243 20 0 CGADHM COc1ccc2nc(C)nc(-c3ccc(F)c([O-])c3)c2c1 ZINC001243053323 823229055 /nfs/dbraw/zinc/22/90/55/823229055.db2.gz BAHZDOVPTPSNRJ-UHFFFAOYSA-N -1 3 284.290 3.459 20 0 CGADHM [O-]c1cc(-c2cc(F)cc(N3CCOCC3)c2)ccc1F ZINC001243061094 823231766 /nfs/dbraw/zinc/23/17/66/823231766.db2.gz DDSJTFMCAFNXAP-UHFFFAOYSA-N -1 3 291.297 3.174 20 0 CGADHM CCS(=O)(=O)c1ccc(F)c(-c2ccc(F)c([O-])c2)c1 ZINC001243063082 823233109 /nfs/dbraw/zinc/23/31/09/823233109.db2.gz SSKYLFDSVYQMAY-UHFFFAOYSA-N -1 3 298.310 3.131 20 0 CGADHM C[C@H](Oc1ccc2c([O-])coc2c1)c1cnc2ccccn21 ZINC001225339768 817016332 /nfs/dbraw/zinc/01/63/32/817016332.db2.gz RTNXBQSFAHAJOW-NSHDSACASA-N -1 3 294.310 3.049 20 0 CGADHM [O-]c1coc2cc(O[C@@H](c3cccnc3)C3CC3)ccc12 ZINC001225341095 817018446 /nfs/dbraw/zinc/01/84/46/817018446.db2.gz XQULJQWFZKJMKH-QGZVFWFLSA-N -1 3 281.311 3.187 20 0 CGADHM Cc1ccc([C@@H](C)Oc2[n-]c(=S)nc3c2CCC3)cn1 ZINC001226299415 817322336 /nfs/dbraw/zinc/32/23/36/817322336.db2.gz ASNFXLHRDQRFRH-SNVBAGLBSA-N -1 3 287.388 3.097 20 0 CGADHM CCCOc1ccccc1-c1cccc(-c2nnn[n-]2)c1 ZINC001243126512 823255532 /nfs/dbraw/zinc/25/55/32/823255532.db2.gz QJMOFVAICZNFSS-UHFFFAOYSA-N -1 3 280.331 3.323 20 0 CGADHM CCCOc1ccccc1-c1cccc(-c2nn[n-]n2)c1 ZINC001243126512 823255534 /nfs/dbraw/zinc/25/55/34/823255534.db2.gz QJMOFVAICZNFSS-UHFFFAOYSA-N -1 3 280.331 3.323 20 0 CGADHM Cc1nnc(=O)[n-]c1O[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC001226461187 817364909 /nfs/dbraw/zinc/36/49/09/817364909.db2.gz KQKTXXBZCTYGAZ-MRVPVSSYSA-N -1 3 299.252 3.044 20 0 CGADHM CCc1nc(O[C@@H]2CCCc3ccccc32)cc(=O)[n-]1 ZINC001226472580 817367538 /nfs/dbraw/zinc/36/75/38/817367538.db2.gz JXJCKFHMCMDHGZ-CYBMUJFWSA-N -1 3 270.332 3.201 20 0 CGADHM CCc1nc(O[C@H]2CCc3cc(Cl)ccc32)cc(=O)[n-]1 ZINC001226476890 817370251 /nfs/dbraw/zinc/37/02/51/817370251.db2.gz TXNVWNUQFCQARL-LBPRGKRZSA-N -1 3 290.750 3.464 20 0 CGADHM CCCC[C@@H](C)Oc1c([O-])ccc(C(C)=O)c1O ZINC001226478285 817370343 /nfs/dbraw/zinc/37/03/43/817370343.db2.gz DELLYWJYFNURSA-SECBINFHSA-N -1 3 252.310 3.258 20 0 CGADHM Cc1nc(O[C@H](C)c2ccccc2Cl)cc(=O)[n-]1 ZINC001226510259 817380122 /nfs/dbraw/zinc/38/01/22/817380122.db2.gz KEGGYXSMAMPZEC-MRVPVSSYSA-N -1 3 264.712 3.284 20 0 CGADHM Cc1ccc([C@@H](C)Oc2cc(=O)[n-]c(C)n2)c(C)c1 ZINC001226510840 817381181 /nfs/dbraw/zinc/38/11/81/817381181.db2.gz REMFUHMUYXEKIM-LLVKDONJSA-N -1 3 258.321 3.247 20 0 CGADHM Cc1cc(=O)oc2cc([O-])c(O[C@@H]3CCCC[C@H]3F)cc12 ZINC001226531333 817387757 /nfs/dbraw/zinc/38/77/57/817387757.db2.gz ADLRMZQUQXFHDY-DGCLKSJQSA-N -1 3 292.306 3.467 20 0 CGADHM Cc1cc(=O)oc2cc([O-])c(O[C@H]3C=CCCC3)cc12 ZINC001226531965 817389204 /nfs/dbraw/zinc/38/92/04/817389204.db2.gz KNSHHTLLYFHMRR-NSHDSACASA-N -1 3 272.300 3.295 20 0 CGADHM Cc1cc(=O)oc2cc([O-])c(O[C@H]3CC[C@H](C)C3)cc12 ZINC001226532032 817389822 /nfs/dbraw/zinc/38/98/22/817389822.db2.gz MBJLBUDBDJJBRA-ONGXEEELSA-N -1 3 274.316 3.374 20 0 CGADHM Cc1cc(=O)oc2cc([O-])c(O[C@H]3CC[C@@H](C)C3)cc12 ZINC001226532030 817389841 /nfs/dbraw/zinc/38/98/41/817389841.db2.gz MBJLBUDBDJJBRA-KOLCDFICSA-N -1 3 274.316 3.374 20 0 CGADHM Cc1cc(=O)oc2cc([O-])c(O[C@@H]3C[C@@H]4CC[C@H]3C4)cc12 ZINC001226538798 817392864 /nfs/dbraw/zinc/39/28/64/817392864.db2.gz VWMCFIWIKNVLDP-UHIISALHSA-N -1 3 286.327 3.374 20 0 CGADHM C[C@@H]1CCC[C@H](Oc2c([O-])ccc3ccc(=O)oc32)C1 ZINC001226597445 817409052 /nfs/dbraw/zinc/40/90/52/817409052.db2.gz UCEQYIQACCMYLT-PWSUYJOCSA-N -1 3 274.316 3.456 20 0 CGADHM C[C@H](Oc1c([O-])ccc2ccc(=O)oc21)c1nccs1 ZINC001226599995 817409309 /nfs/dbraw/zinc/40/93/09/817409309.db2.gz RRIOFJYZTPAYOK-QMMMGPOBSA-N -1 3 289.312 3.095 20 0 CGADHM CCC[C@H](CC(=O)OC)Oc1cccc([O-])c1Cl ZINC001226710079 817442502 /nfs/dbraw/zinc/44/25/02/817442502.db2.gz VMJYDSULZVESIW-SECBINFHSA-N -1 3 272.728 3.156 20 0 CGADHM Cc1cc(O[C@H]2CCC(=O)c3ccccc32)[n-]c(=S)n1 ZINC001226799548 817468183 /nfs/dbraw/zinc/46/81/83/817468183.db2.gz XAGZWVMQKZBRQH-ZDUSSCGKSA-N -1 3 286.356 3.170 20 0 CGADHM COc1cccc([C@H](C)Oc2cc(C)nc(=S)[n-]2)c1 ZINC001226799128 817468895 /nfs/dbraw/zinc/46/88/95/817468895.db2.gz QIFKRTKKZLDNBJ-JTQLQIEISA-N -1 3 276.361 3.222 20 0 CGADHM Cc1cc(O[C@@H](C)c2cccnc2Cl)[n-]c(=S)n1 ZINC001226799885 817469395 /nfs/dbraw/zinc/46/93/95/817469395.db2.gz CKIQLPROGTXGTD-QMMMGPOBSA-N -1 3 281.768 3.262 20 0 CGADHM C[C@H](Oc1cc(=O)[n-]cn1)c1cccc(Br)c1 ZINC001226944422 817512532 /nfs/dbraw/zinc/51/25/32/817512532.db2.gz FWOIWHNDYZDVSD-QMMMGPOBSA-N -1 3 295.136 3.085 20 0 CGADHM O=c1cc(OC2c3ccccc3Oc3ccccc32)nc[n-]1 ZINC001226945015 817512943 /nfs/dbraw/zinc/51/29/43/817512943.db2.gz MVDQUBVAJGCMQK-UHFFFAOYSA-N -1 3 292.294 3.456 20 0 CGADHM CCc1cnc(=S)[n-]c1O[C@H](C)COc1ccccc1 ZINC001227062335 817548140 /nfs/dbraw/zinc/54/81/40/817548140.db2.gz UBPGQEBUZOQGJR-LLVKDONJSA-N -1 3 290.388 3.174 20 0 CGADHM O=c1ccc(O[C@H]2CCCC[C@@H]2c2ccccc2)n[n-]1 ZINC001227092825 817554587 /nfs/dbraw/zinc/55/45/87/817554587.db2.gz DUIPZCLQNOHMPC-KGLIPLIRSA-N -1 3 270.332 3.287 20 0 CGADHM COc1ccc2cc([C@H](C)Oc3ccc(=O)[n-]n3)ccc2c1 ZINC001227093269 817554638 /nfs/dbraw/zinc/55/46/38/817554638.db2.gz JVGXLNIJAQZQRO-NSHDSACASA-N -1 3 296.326 3.484 20 0 CGADHM COC(=O)c1ccc([O-])c(O[C@H](CC(C)C)C(C)C)n1 ZINC001227819728 817726828 /nfs/dbraw/zinc/72/68/28/817726828.db2.gz GXTZVVROJNEUJS-CYBMUJFWSA-N -1 3 281.352 3.023 20 0 CGADHM COC(=O)c1ccc([O-])c(O[C@@H](C)CCC=C(C)C)n1 ZINC001227820045 817726944 /nfs/dbraw/zinc/72/69/44/817726944.db2.gz MOQGTZYFRNJKSJ-NSHDSACASA-N -1 3 279.336 3.088 20 0 CGADHM Cc1cccc2c1CC[C@H]2Oc1[n-]c(=O)nc2cccnc21 ZINC001228001532 817779297 /nfs/dbraw/zinc/77/92/97/817779297.db2.gz ZUEXFAHSYILWRO-CQSZACIVSA-N -1 3 293.326 3.105 20 0 CGADHM CC[C@@H](Oc1[n-]c(=O)nc2cccnc21)c1ccccc1 ZINC001228006414 817781421 /nfs/dbraw/zinc/78/14/21/817781421.db2.gz CKPNPYNMDAMKBM-CYBMUJFWSA-N -1 3 281.315 3.261 20 0 CGADHM C[C@H]1COC[C@@H]1Oc1cc(C(=O)c2ccccc2)ccc1[O-] ZINC001228151244 817825443 /nfs/dbraw/zinc/82/54/43/817825443.db2.gz DMMAWCLEVVDPRE-SJCJKPOMSA-N -1 3 298.338 3.037 20 0 CGADHM C[C@@H]1CC[C@H](Oc2n[n-]c(-c3ccncc3)n2)C[C@@H]1C ZINC001228697680 817977377 /nfs/dbraw/zinc/97/73/77/817977377.db2.gz NZDSVYCBBBCQGY-MDZLAQPJSA-N -1 3 272.352 3.070 20 0 CGADHM Cc1ccc([C@@H](C)Oc2nnc(-c3cccnc3)[n-]2)cc1 ZINC001228697441 817977638 /nfs/dbraw/zinc/97/76/38/817977638.db2.gz IMPRLWNPTHZTDK-GFCCVEGCSA-N -1 3 280.331 3.315 20 0 CGADHM Cc1ccc([C@@H](C)Oc2nc(-c3cccnc3)n[n-]2)cc1 ZINC001228697441 817977646 /nfs/dbraw/zinc/97/76/46/817977646.db2.gz IMPRLWNPTHZTDK-GFCCVEGCSA-N -1 3 280.331 3.315 20 0 CGADHM Cc1ccc([C@@H](C)Oc2n[n-]c(-c3cccnc3)n2)cc1 ZINC001228697441 817977652 /nfs/dbraw/zinc/97/76/52/817977652.db2.gz IMPRLWNPTHZTDK-GFCCVEGCSA-N -1 3 280.331 3.315 20 0 CGADHM C[C@@H]1CC[C@@H](Oc2n[n-]c(-c3ccncc3)n2)C[C@H]1C ZINC001228697681 817977879 /nfs/dbraw/zinc/97/78/79/817977879.db2.gz NZDSVYCBBBCQGY-NQBHXWOUSA-N -1 3 272.352 3.070 20 0 CGADHM CC(=O)[C@@H](Oc1cc2c(cc1[O-])CCC2=O)c1ccccc1 ZINC001228854155 818023832 /nfs/dbraw/zinc/02/38/32/818023832.db2.gz OQMABVHBOFJZLJ-GOSISDBHSA-N -1 3 296.322 3.230 20 0 CGADHM Cc1ccc2c(c1)CC[C@@H]2Oc1cccc(-c2nnn[n-]2)c1 ZINC001231117219 818034824 /nfs/dbraw/zinc/03/48/24/818034824.db2.gz XNNUYWDHHMTDBS-INIZCTEOSA-N -1 3 292.342 3.241 20 0 CGADHM Cc1ccc2c(c1)CC[C@@H]2Oc1cccc(-c2nn[n-]n2)c1 ZINC001231117219 818034829 /nfs/dbraw/zinc/03/48/29/818034829.db2.gz XNNUYWDHHMTDBS-INIZCTEOSA-N -1 3 292.342 3.241 20 0 CGADHM C[C@@H](Oc1cccc(-c2nnn[n-]2)c1)c1ccccc1F ZINC001231116741 818034994 /nfs/dbraw/zinc/03/49/94/818034994.db2.gz QSTWZLNGZLFZKJ-SNVBAGLBSA-N -1 3 284.294 3.146 20 0 CGADHM C[C@@H](Oc1cccc(-c2nn[n-]n2)c1)c1ccccc1F ZINC001231116741 818034999 /nfs/dbraw/zinc/03/49/99/818034999.db2.gz QSTWZLNGZLFZKJ-SNVBAGLBSA-N -1 3 284.294 3.146 20 0 CGADHM C[C@@H]1CCC[C@@H](Oc2cccc(-c3nnn[n-]3)c2)[C@H]1C ZINC001231118623 818036782 /nfs/dbraw/zinc/03/67/82/818036782.db2.gz SHADEVKCVMTCCM-UHIISALHSA-N -1 3 272.352 3.070 20 0 CGADHM C[C@@H]1CCC[C@@H](Oc2cccc(-c3nn[n-]n3)c2)[C@H]1C ZINC001231118623 818036788 /nfs/dbraw/zinc/03/67/88/818036788.db2.gz SHADEVKCVMTCCM-UHIISALHSA-N -1 3 272.352 3.070 20 0 CGADHM COC1(C)CCN(Cc2ccc(Cl)c([O-])c2)CC1 ZINC001231733490 818162217 /nfs/dbraw/zinc/16/22/17/818162217.db2.gz VWLWRAMHUMLEJO-UHFFFAOYSA-N -1 3 269.772 3.047 20 0 CGADHM Cc1cc(OC(C)C)ccc1-c1cncc(-c2nnn[n-]2)c1 ZINC001243278041 823323021 /nfs/dbraw/zinc/32/30/21/823323021.db2.gz FKWHPHDYISEATI-UHFFFAOYSA-N -1 3 295.346 3.024 20 0 CGADHM Cc1cc(OC(C)C)ccc1-c1cncc(-c2nn[n-]n2)c1 ZINC001243278041 823323029 /nfs/dbraw/zinc/32/30/29/823323029.db2.gz FKWHPHDYISEATI-UHFFFAOYSA-N -1 3 295.346 3.024 20 0 CGADHM COCC[C@H]1CCCCN1Cc1cc([O-])c(F)c(F)c1 ZINC001232971520 818487717 /nfs/dbraw/zinc/48/77/17/818487717.db2.gz LRSUDBTYLJXGSB-GFCCVEGCSA-N -1 3 285.334 3.061 20 0 CGADHM CC[C@H]1CCCN(Cc2cc([O-])c(F)c(F)c2)C1 ZINC001232973281 818488783 /nfs/dbraw/zinc/48/87/83/818488783.db2.gz RUNOTMDYDGFGPV-JTQLQIEISA-N -1 3 255.308 3.292 20 0 CGADHM CCCC1CCN(Cc2cc(Cl)ncc2[O-])CC1 ZINC001233036272 818504480 /nfs/dbraw/zinc/50/44/80/818504480.db2.gz NZJVEPDBHXJWFU-UHFFFAOYSA-N -1 3 268.788 3.453 20 0 CGADHM [O-]c1cnc(Cl)cc1CN1C2CCCC1CCC2 ZINC001233038566 818507193 /nfs/dbraw/zinc/50/71/93/818507193.db2.gz VIUFEFIIWPAUPN-UHFFFAOYSA-N -1 3 266.772 3.348 20 0 CGADHM [O-]c1cccc(CN2CCCCC(F)(F)C2)c1F ZINC001233050566 818511196 /nfs/dbraw/zinc/51/11/96/818511196.db2.gz PYGYCKGGAKYXPW-UHFFFAOYSA-N -1 3 259.271 3.153 20 0 CGADHM Cc1noc(C2CCN(Cc3ccc([S-])cc3)CC2)n1 ZINC001233262231 818559992 /nfs/dbraw/zinc/55/99/92/818559992.db2.gz XFIHIUGMJFCMNK-UHFFFAOYSA-N -1 3 289.404 3.046 20 0 CGADHM Cc1cccc2c1CN(Cc1c(F)ccc([O-])c1F)C2 ZINC001233393832 818608625 /nfs/dbraw/zinc/60/86/25/818608625.db2.gz OBSNEEZBSBFMGR-UHFFFAOYSA-N -1 3 275.298 3.495 20 0 CGADHM COc1ccc(CN2C[C@@H](C)C[C@H]2CF)c(Cl)c1[O-] ZINC001233397625 818611137 /nfs/dbraw/zinc/61/11/37/818611137.db2.gz GTOLRBVLFJYURW-ONGXEEELSA-N -1 3 287.762 3.234 20 0 CGADHM COc1ccc(CN2Cc3ncsc3C2)c(Cl)c1[O-] ZINC001233401586 818612417 /nfs/dbraw/zinc/61/24/17/818612417.db2.gz GTQKSCLFGXYJNH-UHFFFAOYSA-N -1 3 296.779 3.027 20 0 CGADHM Cc1cc([O-])c(Cl)cc1O[C@@H](C)c1cncnc1 ZINC001233592044 818652806 /nfs/dbraw/zinc/65/28/06/818652806.db2.gz JETVZVUNUFITLE-VIFPVBQESA-N -1 3 264.712 3.284 20 0 CGADHM C[C@@H](Cc1ccccc1)Oc1ccc2occ([O-])c2c1 ZINC001233677828 818677382 /nfs/dbraw/zinc/67/73/82/818677382.db2.gz OJURJKZYLGVNOQ-LBPRGKRZSA-N -1 3 268.312 3.272 20 0 CGADHM C[C@@H](Oc1ccc2occ([O-])c2c1)c1cccnc1Cl ZINC001233677635 818677785 /nfs/dbraw/zinc/67/77/85/818677785.db2.gz MAPWGOXQYFCBOU-SECBINFHSA-N -1 3 289.718 3.450 20 0 CGADHM COC(=O)C[C@@H]1CCC[C@H](Oc2cccc([O-])c2F)C1 ZINC001233873392 818721785 /nfs/dbraw/zinc/72/17/85/818721785.db2.gz XYPQPAVGKVXZDO-MNOVXSKESA-N -1 3 282.311 3.032 20 0 CGADHM C[C@@H](COc1cccc([O-])c1F)Oc1ccccc1 ZINC001233870799 818722539 /nfs/dbraw/zinc/72/25/39/818722539.db2.gz ISLFZNUMQKAPHD-NSHDSACASA-N -1 3 262.280 3.378 20 0 CGADHM O=C1CCC(Oc2c(Cl)ccc([O-])c2F)CC1 ZINC001234264257 818821212 /nfs/dbraw/zinc/82/12/12/818821212.db2.gz OXLPLMXTVBQJKS-UHFFFAOYSA-N -1 3 258.676 3.075 20 0 CGADHM [O-]c1cccc2[nH]c(O[C@H](c3cccnc3)C3CC3)nc21 ZINC001234447846 818856928 /nfs/dbraw/zinc/85/69/28/818856928.db2.gz PWQTZHACXYLJJH-HNNXBMFYSA-N -1 3 281.315 3.194 20 0 CGADHM Cc1c([C@@H](C)Oc2c([O-])cc(Cl)cc2F)cnn1C ZINC001234447155 818857222 /nfs/dbraw/zinc/85/72/22/818857222.db2.gz JFPODTCJEVWLIV-MRVPVSSYSA-N -1 3 284.718 3.367 20 0 CGADHM [O-]c1cccc2[nH]c(OC[C@@H]3CCc4ccccc4O3)nc21 ZINC001234449819 818859904 /nfs/dbraw/zinc/85/99/04/818859904.db2.gz RREHLFRCVMZMRU-LBPRGKRZSA-N -1 3 296.326 3.041 20 0 CGADHM O=c1[n-]cnc(O[C@H]2CCC(F)(F)C2)c1-c1ccccc1 ZINC001234692210 818916984 /nfs/dbraw/zinc/91/69/84/818916984.db2.gz MOGABJYEMUVXDA-NSHDSACASA-N -1 3 292.285 3.416 20 0 CGADHM c1cc2nc(O[C@H]3CCc4cccnc43)[n-]c2s1 ZINC001234847547 818931990 /nfs/dbraw/zinc/93/19/90/818931990.db2.gz KDZXEIVCIJNSGM-JTQLQIEISA-N -1 3 257.318 3.086 20 0 CGADHM c1cc2nc(OC3Cc4ccccc4C3)[n-]c2s1 ZINC001234851379 818934540 /nfs/dbraw/zinc/93/45/40/818934540.db2.gz JUBGZSPOWJPFNG-UHFFFAOYSA-N -1 3 256.330 3.171 20 0 CGADHM c1cc2[n-]c(OC3Cc4ccccc4C3)nc2s1 ZINC001234851379 818934544 /nfs/dbraw/zinc/93/45/44/818934544.db2.gz JUBGZSPOWJPFNG-UHFFFAOYSA-N -1 3 256.330 3.171 20 0 CGADHM CC[C@H](Oc1nc(=O)[n-]c2c1SCCC2)C(C)C ZINC001234923204 818951822 /nfs/dbraw/zinc/95/18/22/818951822.db2.gz QSRZIURJISNWRR-JTQLQIEISA-N -1 3 268.382 3.034 20 0 CGADHM c1cc(-c2ccc(Cc3nnn[n-]3)cc2)cc(C2CC2)c1 ZINC001236087371 819307811 /nfs/dbraw/zinc/30/78/11/819307811.db2.gz GPAWSTFRMVYHHQ-UHFFFAOYSA-N -1 3 276.343 3.335 20 0 CGADHM c1cc(-c2ccc(Cc3nn[n-]n3)cc2)cc(C2CC2)c1 ZINC001236087371 819307816 /nfs/dbraw/zinc/30/78/16/819307816.db2.gz GPAWSTFRMVYHHQ-UHFFFAOYSA-N -1 3 276.343 3.335 20 0 CGADHM Clc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC001236089280 819309012 /nfs/dbraw/zinc/30/90/12/819309012.db2.gz BYPSWWCCANEUAC-UHFFFAOYSA-N -1 3 256.696 3.187 20 0 CGADHM Clc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC001236089280 819309018 /nfs/dbraw/zinc/30/90/18/819309018.db2.gz BYPSWWCCANEUAC-UHFFFAOYSA-N -1 3 256.696 3.187 20 0 CGADHM CC(C)C(=O)Nc1ccc(-c2ccc(=S)[n-]n2)cc1 ZINC001236261567 819409538 /nfs/dbraw/zinc/40/95/38/819409538.db2.gz NCXKHRWUSCPQNL-UHFFFAOYSA-N -1 3 273.361 3.027 20 0 CGADHM CC(C)Oc1ccc(F)c(-c2ccccc2-c2nnn[n-]2)c1 ZINC001243444346 823406435 /nfs/dbraw/zinc/40/64/35/823406435.db2.gz HYLNYTKMHIJSSU-UHFFFAOYSA-N -1 3 298.321 3.460 20 0 CGADHM CC(C)Oc1ccc(F)c(-c2ccccc2-c2nn[n-]n2)c1 ZINC001243444346 823406439 /nfs/dbraw/zinc/40/64/39/823406439.db2.gz HYLNYTKMHIJSSU-UHFFFAOYSA-N -1 3 298.321 3.460 20 0 CGADHM Cc1ccc(F)c(-c2ncccc2CN2CCCC2)c1[O-] ZINC001236391763 819447959 /nfs/dbraw/zinc/44/79/59/819447959.db2.gz PEFLHSATYXOYDV-UHFFFAOYSA-N -1 3 286.350 3.498 20 0 CGADHM Cc1ccc(F)c(-c2cccn(C3CCC3)c2=O)c1[O-] ZINC001236416500 819461892 /nfs/dbraw/zinc/46/18/92/819461892.db2.gz VAYDGTXSGWHKDX-UHFFFAOYSA-N -1 3 273.307 3.393 20 0 CGADHM [O-]c1cc(CN2CC[C@@H]2c2ccccc2)ccc1F ZINC001236711869 819580506 /nfs/dbraw/zinc/58/05/06/819580506.db2.gz XTEGCPJGHAVBSK-OAHLLOKOSA-N -1 3 257.308 3.478 20 0 CGADHM Cc1ccc2c(c1)CN(Cc1sc(=O)[n-]c1Cl)CC2 ZINC001237156517 819683477 /nfs/dbraw/zinc/68/34/77/819683477.db2.gz CQNSMGWWRCGHGP-UHFFFAOYSA-N -1 3 294.807 3.369 20 0 CGADHM [O-]c1cc(F)cc(CN2Cc3cccc(F)c3C2)c1 ZINC001237280115 819715151 /nfs/dbraw/zinc/71/51/51/819715151.db2.gz GNNBTEXAAWLHOH-UHFFFAOYSA-N -1 3 261.271 3.186 20 0 CGADHM [O-]c1cccc(-c2cnc3cc(F)ccc3n2)c1F ZINC001243542153 823436656 /nfs/dbraw/zinc/43/66/56/823436656.db2.gz HZNAWUILKIYTIJ-UHFFFAOYSA-N -1 3 258.227 3.281 20 0 CGADHM CCOC(=O)c1c(C)cc(-c2cccc([O-])c2F)nc1C ZINC001243543559 823436683 /nfs/dbraw/zinc/43/66/83/823436683.db2.gz TWTOYXYCZLGPHB-UHFFFAOYSA-N -1 3 289.306 3.387 20 0 CGADHM COc1ccc2ncnc(-c3cccc([O-])c3F)c2c1 ZINC001243544769 823437200 /nfs/dbraw/zinc/43/72/00/823437200.db2.gz XGKKOIGZKKDECU-UHFFFAOYSA-N -1 3 270.263 3.150 20 0 CGADHM Cc1nnc(-c2cccc([O-])c2F)c2ccccc12 ZINC001243544192 823437263 /nfs/dbraw/zinc/43/72/63/823437263.db2.gz MXVUCXVLFCUDAN-UHFFFAOYSA-N -1 3 254.264 3.450 20 0 CGADHM COc1ncc(-c2cccc([O-])c2F)c2cc[nH]c21 ZINC001243544096 823437410 /nfs/dbraw/zinc/43/74/10/823437410.db2.gz AWGNLSHUSZKEHW-UHFFFAOYSA-N -1 3 258.252 3.083 20 0 CGADHM O=c1ccc2cccc(-c3cccc([O-])c3F)c2o1 ZINC001243544457 823437633 /nfs/dbraw/zinc/43/76/33/823437633.db2.gz HAXLDAKXGRQTNY-UHFFFAOYSA-N -1 3 256.232 3.305 20 0 CGADHM [O-]c1cccc(-c2ccc3nnc(C4CC4)n3c2)c1F ZINC001243545333 823438316 /nfs/dbraw/zinc/43/83/16/823438316.db2.gz FCGQQRPQVFWGAP-UHFFFAOYSA-N -1 3 269.279 3.118 20 0 CGADHM CC(=O)N1CCCc2cc(-c3cccc([O-])c3F)ccc21 ZINC001243546434 823438706 /nfs/dbraw/zinc/43/87/06/823438706.db2.gz HGWFDWJFSOYEEH-UHFFFAOYSA-N -1 3 285.318 3.497 20 0 CGADHM O=c1c(-c2cccc([O-])c2F)cccn1Cc1ccccc1 ZINC001243545968 823439102 /nfs/dbraw/zinc/43/91/02/823439102.db2.gz JNYKDLPSHFHZJB-UHFFFAOYSA-N -1 3 295.313 3.408 20 0 CGADHM C=CC(=O)Oc1ccc(-c2cccc([O-])c2F)cc1 ZINC001243546331 823439247 /nfs/dbraw/zinc/43/92/47/823439247.db2.gz NQZBSPMJGVZQLY-UHFFFAOYSA-N -1 3 258.248 3.290 20 0 CGADHM CCOC(=O)c1cccc(-c2cccc([O-])c2F)c1 ZINC001243547145 823439624 /nfs/dbraw/zinc/43/96/24/823439624.db2.gz NXLIIQTVDWQPGA-UHFFFAOYSA-N -1 3 260.264 3.375 20 0 CGADHM Cc1nc2cncc(-c3ccc(Cl)c([O-])c3)c2[nH]1 ZINC001243584383 823455646 /nfs/dbraw/zinc/45/56/46/823455646.db2.gz QBNANOHKODYNTH-UHFFFAOYSA-N -1 3 259.696 3.292 20 0 CGADHM Cc1nc2c[nH]cc(-c3ccc(Cl)c([O-])c3)c-2n1 ZINC001243584383 823455647 /nfs/dbraw/zinc/45/56/47/823455647.db2.gz QBNANOHKODYNTH-UHFFFAOYSA-N -1 3 259.696 3.292 20 0 CGADHM FC(F)n1cc(-c2ccc3c(c2)[N-]C(=S)C3)cn1 ZINC001238870570 820142165 /nfs/dbraw/zinc/14/21/65/820142165.db2.gz XROXBPFBOUULCR-UHFFFAOYSA-N -1 3 265.288 3.241 20 0 CGADHM CN(C)/C=C/c1ccncc1-c1ccc(C(=O)[O-])cc1F ZINC001239274700 820250245 /nfs/dbraw/zinc/25/02/45/820250245.db2.gz CZVBZGIVOXTFTF-SOFGYWHQSA-N -1 3 286.306 3.118 20 0 CGADHM CCOc1ccc(-c2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC001239566177 820417536 /nfs/dbraw/zinc/41/75/36/820417536.db2.gz WNSWDMZOMXVGTI-UHFFFAOYSA-N -1 3 284.294 3.072 20 0 CGADHM CCOc1ccc(-c2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC001239566177 820417537 /nfs/dbraw/zinc/41/75/37/820417537.db2.gz WNSWDMZOMXVGTI-UHFFFAOYSA-N -1 3 284.294 3.072 20 0 CGADHM Cc1ccc(-c2ccc(F)cc2C)cc1-c1nnn[n-]1 ZINC001239741439 820563460 /nfs/dbraw/zinc/56/34/60/820563460.db2.gz ZUTWGONMBMJCST-UHFFFAOYSA-N -1 3 268.295 3.290 20 0 CGADHM Cc1ccc(-c2ccc(F)cc2C)cc1-c1nn[n-]n1 ZINC001239741439 820563465 /nfs/dbraw/zinc/56/34/65/820563465.db2.gz ZUTWGONMBMJCST-UHFFFAOYSA-N -1 3 268.295 3.290 20 0 CGADHM Cc1cc(F)ccc1-c1cc(-c2nnn[n-]2)ccc1F ZINC001239742089 820564954 /nfs/dbraw/zinc/56/49/54/820564954.db2.gz UORUOMNZRKGEOC-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM Cc1cc(F)ccc1-c1cc(-c2nn[n-]n2)ccc1F ZINC001239742089 820564958 /nfs/dbraw/zinc/56/49/58/820564958.db2.gz UORUOMNZRKGEOC-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM Cc1ccc(-c2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC001239862733 820668045 /nfs/dbraw/zinc/66/80/45/820668045.db2.gz MLEHHAXKKMUACN-UHFFFAOYSA-N -1 3 270.723 3.496 20 0 CGADHM Cc1ccc(-c2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC001239862733 820668051 /nfs/dbraw/zinc/66/80/51/820668051.db2.gz MLEHHAXKKMUACN-UHFFFAOYSA-N -1 3 270.723 3.496 20 0 CGADHM O=C(c1ccc(-c2ccc(=S)[n-]n2)cc1)N1CCCCC1 ZINC001239902719 820691582 /nfs/dbraw/zinc/69/15/82/820691582.db2.gz VIIOEWZCLAJSFP-UHFFFAOYSA-N -1 3 299.399 3.058 20 0 CGADHM CC(C)Oc1ccc(-c2ccc(-c3nnn[n-]3)c(F)c2)cc1 ZINC001239958895 820738038 /nfs/dbraw/zinc/73/80/38/820738038.db2.gz BEDQFKHLBCKWLJ-UHFFFAOYSA-N -1 3 298.321 3.460 20 0 CGADHM CC(C)Oc1ccc(-c2ccc(-c3nn[n-]n3)c(F)c2)cc1 ZINC001239958895 820738041 /nfs/dbraw/zinc/73/80/41/820738041.db2.gz BEDQFKHLBCKWLJ-UHFFFAOYSA-N -1 3 298.321 3.460 20 0 CGADHM Cc1ccc(-c2ccc3cc[nH]c3c2)cc1-c1nnn[n-]1 ZINC001240800301 821343012 /nfs/dbraw/zinc/34/30/12/821343012.db2.gz QRWJKZNUPUFQIR-UHFFFAOYSA-N -1 3 275.315 3.323 20 0 CGADHM Cc1ccc(-c2ccc3cc[nH]c3c2)cc1-c1nn[n-]n1 ZINC001240800301 821343016 /nfs/dbraw/zinc/34/30/16/821343016.db2.gz QRWJKZNUPUFQIR-UHFFFAOYSA-N -1 3 275.315 3.323 20 0 CGADHM CC(C)S(=O)(=O)c1ccccc1-c1ccc([O-])c(F)c1 ZINC001240785712 821324529 /nfs/dbraw/zinc/32/45/29/821324529.db2.gz MFGRFADKBKQQBO-UHFFFAOYSA-N -1 3 294.347 3.380 20 0 CGADHM COc1cc(-c2ccc([O-])c(F)c2)ccc1NC(C)=O ZINC001240786906 821327645 /nfs/dbraw/zinc/32/76/45/821327645.db2.gz BERSFHUPVALMQE-UHFFFAOYSA-N -1 3 275.279 3.165 20 0 CGADHM O=C1CC[C@H](c2ccc(-c3ccc([O-])c(F)c3)cc2)N1 ZINC001240788142 821331456 /nfs/dbraw/zinc/33/14/56/821331456.db2.gz BXHDGWIQCWYPNJ-CQSZACIVSA-N -1 3 271.291 3.149 20 0 CGADHM CCOc1ncc(-c2ccc([O-])c(F)c2)cc1OC ZINC001240789300 821332358 /nfs/dbraw/zinc/33/23/58/821332358.db2.gz XFXCQXJBOVLJRP-UHFFFAOYSA-N -1 3 263.268 3.001 20 0 CGADHM [O-]c1ccc(-c2ccnc(OC3CCOCC3)c2)cc1F ZINC001240790982 821334334 /nfs/dbraw/zinc/33/43/34/821334334.db2.gz UHEBWQDWVGDMPW-UHFFFAOYSA-N -1 3 289.306 3.151 20 0 CGADHM O=c1cc(-c2ccc([O-])c(F)c2)ccn1C1CCC1 ZINC001240791221 821335492 /nfs/dbraw/zinc/33/54/92/821335492.db2.gz VHBWAPTVLAZTRT-UHFFFAOYSA-N -1 3 259.280 3.085 20 0 CGADHM Fc1ccc(-c2nnn[n-]2)cc1-c1cccc2ncccc21 ZINC001240939627 821429964 /nfs/dbraw/zinc/42/99/64/821429964.db2.gz CVCZXIVDEGCVSB-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Fc1ccc(-c2nn[n-]n2)cc1-c1cccc2ncccc21 ZINC001240939627 821429970 /nfs/dbraw/zinc/42/99/70/821429970.db2.gz CVCZXIVDEGCVSB-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Nc1ccnc2cc(-c3ccc(CC(=O)[O-])cc3)ccc12 ZINC001240975492 821459019 /nfs/dbraw/zinc/45/90/19/821459019.db2.gz AWEDJCQWPOPDRS-UHFFFAOYSA-N -1 3 278.311 3.111 20 0 CGADHM Cc1cc(C(=O)OC(C)C)cnc1-c1ccccc1[O-] ZINC001241003449 821482118 /nfs/dbraw/zinc/48/21/18/821482118.db2.gz NLPISJFNXTXQLB-UHFFFAOYSA-N -1 3 271.316 3.328 20 0 CGADHM CCOC(=O)c1cc2cccnc2nc1-c1ccccc1[O-] ZINC001241003708 821483288 /nfs/dbraw/zinc/48/32/88/821483288.db2.gz SOKNRVDSSIRTGI-UHFFFAOYSA-N -1 3 294.310 3.179 20 0 CGADHM O=C(Nc1ccccc1)c1ccc(-c2ccccc2[O-])nn1 ZINC001241007898 821484667 /nfs/dbraw/zinc/48/46/67/821484667.db2.gz BSBHCAQFVIGLAQ-UHFFFAOYSA-N -1 3 291.310 3.102 20 0 CGADHM COC(=O)c1ccc2ncnc(-c3ccc(C)cc3[O-])c2c1 ZINC001241028377 821502818 /nfs/dbraw/zinc/50/28/18/821502818.db2.gz MSVOLHKEUVTQMT-UHFFFAOYSA-N -1 3 294.310 3.097 20 0 CGADHM Cc1ccc(-c2nc(C(C)(C)C)nc3[nH]cnc32)c([O-])c1 ZINC001241036255 821511293 /nfs/dbraw/zinc/51/12/93/821511293.db2.gz RQNMHDXFJOMALK-UHFFFAOYSA-N -1 3 282.347 3.283 20 0 CGADHM Nc1ccnc2cc(-c3ccc(C(=O)[O-])c(F)c3)ccc12 ZINC001241187300 821624865 /nfs/dbraw/zinc/62/48/65/821624865.db2.gz MAOLUNCWTXZDGJ-UHFFFAOYSA-N -1 3 282.274 3.321 20 0 CGADHM CCOc1ccc(-c2cc(F)cc(-c3nnn[n-]3)c2)cc1C ZINC001241199126 821633245 /nfs/dbraw/zinc/63/32/45/821633245.db2.gz RKTUSEWCIOJGEK-UHFFFAOYSA-N -1 3 298.321 3.380 20 0 CGADHM CCOc1ccc(-c2cc(F)cc(-c3nn[n-]n3)c2)cc1C ZINC001241199126 821633249 /nfs/dbraw/zinc/63/32/49/821633249.db2.gz RKTUSEWCIOJGEK-UHFFFAOYSA-N -1 3 298.321 3.380 20 0 CGADHM [O-]c1cc(F)cc(-c2cnc(-c3ccco3)cn2)c1 ZINC001241256359 821675926 /nfs/dbraw/zinc/67/59/26/821675926.db2.gz RFMJHLGKDBSZJX-UHFFFAOYSA-N -1 3 256.236 3.248 20 0 CGADHM CC(C)(C)NC(=O)c1ccc(-c2cc([O-])cc(F)c2)nc1 ZINC001241256039 821676281 /nfs/dbraw/zinc/67/62/81/821676281.db2.gz LDJPKFPQTFXWNR-UHFFFAOYSA-N -1 3 288.322 3.122 20 0 CGADHM [O-]c1cc(F)cc(-c2ccc(C(F)(F)F)nn2)c1 ZINC001241258044 821678203 /nfs/dbraw/zinc/67/82/03/821678203.db2.gz SJZGSVGRJZVBQZ-UHFFFAOYSA-N -1 3 258.174 3.007 20 0 CGADHM [O-]c1cc(F)cc(-c2ccnc(OC(F)F)c2)c1 ZINC001241271235 821690293 /nfs/dbraw/zinc/69/02/93/821690293.db2.gz NPYIVJMLOOVKIO-UHFFFAOYSA-N -1 3 255.195 3.195 20 0 CGADHM COC(=O)c1c(F)cccc1-c1cc([O-])cc(F)c1 ZINC001241277671 821696794 /nfs/dbraw/zinc/69/67/94/821696794.db2.gz OFPJKUQAOHUKKQ-UHFFFAOYSA-N -1 3 264.227 3.124 20 0 CGADHM O=C1CC[C@H](c2ccc(-c3cc([O-])cc(F)c3)cc2)N1 ZINC001241282926 821701696 /nfs/dbraw/zinc/70/16/96/821701696.db2.gz PKLBZGLXILHVFK-OAHLLOKOSA-N -1 3 271.291 3.149 20 0 CGADHM CSc1ncc(-c2cc([O-])cc(F)c2)c(C)n1 ZINC001241282489 821702183 /nfs/dbraw/zinc/70/21/83/821702183.db2.gz KXSDHRFERSFLPM-UHFFFAOYSA-N -1 3 250.298 3.019 20 0 CGADHM C[C@H]1C(=O)Nc2cc(-c3c(F)ccc([O-])c3F)ccc21 ZINC001241291127 821707600 /nfs/dbraw/zinc/70/76/00/821707600.db2.gz KDKKWSKBBWCNPN-SSDOTTSWSA-N -1 3 275.254 3.393 20 0 CGADHM Cc1nc2ccc(-c3c(F)ccc([O-])c3F)cc2c(=O)o1 ZINC001241293544 821710398 /nfs/dbraw/zinc/71/03/98/821710398.db2.gz WBNURZSKMUFMNL-UHFFFAOYSA-N -1 3 289.237 3.147 20 0 CGADHM Fc1ccc(Cl)cc1-c1ccc(Cc2nnn[n-]2)cc1 ZINC001241333240 821739747 /nfs/dbraw/zinc/73/97/47/821739747.db2.gz ZJDJGKOZUBDREN-UHFFFAOYSA-N -1 3 288.713 3.250 20 0 CGADHM Fc1ccc(Cl)cc1-c1ccc(Cc2nn[n-]n2)cc1 ZINC001241333240 821739748 /nfs/dbraw/zinc/73/97/48/821739748.db2.gz ZJDJGKOZUBDREN-UHFFFAOYSA-N -1 3 288.713 3.250 20 0 CGADHM Fc1ccc2cc(-c3ccc(-c4nnn[n-]4)cc3)cnc2c1 ZINC001241442681 821835959 /nfs/dbraw/zinc/83/59/59/821835959.db2.gz BWYMNESVWFEHBI-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Fc1ccc2cc(-c3ccc(-c4nn[n-]n4)cc3)cnc2c1 ZINC001241442681 821835963 /nfs/dbraw/zinc/83/59/63/821835963.db2.gz BWYMNESVWFEHBI-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM c1cc2cc(-c3ccc(-c4nnn[n-]4)cc3)ncc2s1 ZINC001241442164 821837342 /nfs/dbraw/zinc/83/73/42/821837342.db2.gz CAFVRRFGTHJHLI-UHFFFAOYSA-N -1 3 279.328 3.143 20 0 CGADHM c1cc2cc(-c3ccc(-c4nn[n-]n4)cc3)ncc2s1 ZINC001241442164 821837347 /nfs/dbraw/zinc/83/73/47/821837347.db2.gz CAFVRRFGTHJHLI-UHFFFAOYSA-N -1 3 279.328 3.143 20 0 CGADHM Fc1cccc2ccnc(-c3ccc(-c4nnn[n-]4)cc3)c12 ZINC001241444881 821839154 /nfs/dbraw/zinc/83/91/54/821839154.db2.gz IJQQWWHYZJTISM-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Fc1cccc2ccnc(-c3ccc(-c4nn[n-]n4)cc3)c12 ZINC001241444881 821839160 /nfs/dbraw/zinc/83/91/60/821839160.db2.gz IJQQWWHYZJTISM-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM C1=Cc2cc(-c3ccc(-c4nnn[n-]4)cc3)ccc2C1 ZINC001241445944 821839793 /nfs/dbraw/zinc/83/97/93/821839793.db2.gz XLYCTAPEMVFMQD-UHFFFAOYSA-N -1 3 260.300 3.103 20 0 CGADHM C1=Cc2cc(-c3ccc(-c4nn[n-]n4)cc3)ccc2C1 ZINC001241445944 821839796 /nfs/dbraw/zinc/83/97/96/821839796.db2.gz XLYCTAPEMVFMQD-UHFFFAOYSA-N -1 3 260.300 3.103 20 0 CGADHM Cc1cc2cccnc2c(-c2ccc(-c3nnn[n-]3)cc2)c1 ZINC001241445908 821841534 /nfs/dbraw/zinc/84/15/34/821841534.db2.gz VEDXWQUXWGKZND-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM Cc1cc2cccnc2c(-c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001241445908 821841539 /nfs/dbraw/zinc/84/15/39/821841539.db2.gz VEDXWQUXWGKZND-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM CC(C)Oc1cc(-c2ccc(-c3nnn[n-]3)cc2)ccc1F ZINC001241446076 821841910 /nfs/dbraw/zinc/84/19/10/821841910.db2.gz JJMNWPKYAAGTSM-UHFFFAOYSA-N -1 3 298.321 3.460 20 0 CGADHM CC(C)Oc1cc(-c2ccc(-c3nn[n-]n3)cc2)ccc1F ZINC001241446076 821841919 /nfs/dbraw/zinc/84/19/19/821841919.db2.gz JJMNWPKYAAGTSM-UHFFFAOYSA-N -1 3 298.321 3.460 20 0 CGADHM FC(F)Oc1ccccc1-c1cccc(-c2nnn[n-]2)c1 ZINC001241953642 822243528 /nfs/dbraw/zinc/24/35/28/822243528.db2.gz ZMAQKKJKWFPBNR-UHFFFAOYSA-N -1 3 288.257 3.135 20 0 CGADHM FC(F)Oc1ccccc1-c1cccc(-c2nn[n-]n2)c1 ZINC001241953642 822243536 /nfs/dbraw/zinc/24/35/36/822243536.db2.gz ZMAQKKJKWFPBNR-UHFFFAOYSA-N -1 3 288.257 3.135 20 0 CGADHM NC(=O)c1ccc(-c2ccc([O-])c(C(F)(F)F)c2)cc1F ZINC001242161775 822900116 /nfs/dbraw/zinc/90/01/16/822900116.db2.gz CNSQZIRTKXFZOZ-UHFFFAOYSA-N -1 3 299.223 3.316 20 0 CGADHM CC1(C)C(=O)Nc2cc(-c3ccc(F)cc3[O-])ccc21 ZINC001242219998 822916019 /nfs/dbraw/zinc/91/60/19/822916019.db2.gz YSFZFBVSQSCCQW-UHFFFAOYSA-N -1 3 271.291 3.428 20 0 CGADHM COC(=O)[C@H](C)c1cccc(-c2ccc(F)cc2[O-])c1 ZINC001242221847 822917508 /nfs/dbraw/zinc/91/75/08/822917508.db2.gz PATBVNBIYYFPPX-SNVBAGLBSA-N -1 3 274.291 3.475 20 0 CGADHM Fc1cc(C2=CCC(F)(F)CC2)ccc1-c1nnn[n-]1 ZINC001242235135 822920448 /nfs/dbraw/zinc/92/04/48/822920448.db2.gz QEIYOURECQMSIW-UHFFFAOYSA-N -1 3 280.253 3.208 20 0 CGADHM Fc1cc(C2=CCC(F)(F)CC2)ccc1-c1nn[n-]n1 ZINC001242235135 822920451 /nfs/dbraw/zinc/92/04/51/822920451.db2.gz QEIYOURECQMSIW-UHFFFAOYSA-N -1 3 280.253 3.208 20 0 CGADHM Fc1cc(F)c(-c2ccc(-c3nnn[n-]3)cc2)cc1Cl ZINC001242290003 822940493 /nfs/dbraw/zinc/94/04/93/822940493.db2.gz OMEAWFMYAABROB-UHFFFAOYSA-N -1 3 292.676 3.465 20 0 CGADHM Fc1cc(F)c(-c2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC001242290003 822940497 /nfs/dbraw/zinc/94/04/97/822940497.db2.gz OMEAWFMYAABROB-UHFFFAOYSA-N -1 3 292.676 3.465 20 0 CGADHM COc1ccc(-c2cccc(F)c2[O-])c(OC)c1F ZINC001242353325 822962651 /nfs/dbraw/zinc/96/26/51/822962651.db2.gz MKBHBCPEKATEDZ-UHFFFAOYSA-N -1 3 266.243 3.355 20 0 CGADHM COC(=O)/C=C/c1ccc(-c2cccc(F)c2[O-])cc1 ZINC001242352938 822962727 /nfs/dbraw/zinc/96/27/27/822962727.db2.gz HQGOLQWZJUQFLO-JXMROGBWSA-N -1 3 272.275 3.385 20 0 CGADHM CC1(C)C(=O)NCc2cccc(-c3cccc(F)c3[O-])c21 ZINC001242353303 822962767 /nfs/dbraw/zinc/96/27/67/822962767.db2.gz LVTNMGWRRBJIQY-UHFFFAOYSA-N -1 3 285.318 3.106 20 0 CGADHM COC(=O)Nc1cccc(-c2cccc(F)c2[O-])c1 ZINC001242352530 822962819 /nfs/dbraw/zinc/96/28/19/822962819.db2.gz XMCJIEFLESUDAX-UHFFFAOYSA-N -1 3 261.252 3.377 20 0 CGADHM CCOC(=O)Cc1ccc(-c2cccc(F)c2[O-])cc1F ZINC001242353434 822963451 /nfs/dbraw/zinc/96/34/51/822963451.db2.gz ZVJVRVIVWRCVHA-UHFFFAOYSA-N -1 3 292.281 3.443 20 0 CGADHM C[C@@H]([N-]C(=O)C(C)(F)F)c1ccc(Cl)c(F)c1 ZINC001343931581 936519449 /nfs/dbraw/zinc/51/94/49/936519449.db2.gz JWHXIDHZPQPJAT-ZCFIWIBFSA-N -1 3 265.662 3.312 20 0 CGADHM C[C@](NCc1cc(F)cc(F)c1)(C(=O)[O-])c1ccccc1 ZINC001353899935 937080764 /nfs/dbraw/zinc/08/07/64/937080764.db2.gz RYOLIHVGVFCXIL-MRXNPFEDSA-N -1 3 291.297 3.054 20 0 CGADHM CC[C@H](C)CC[C@H](C)Oc1nc(C(=O)OC)ccc1[O-] ZINC001227826530 927269339 /nfs/dbraw/zinc/26/93/39/927269339.db2.gz SJZMTQHSZILNGC-QWRGUYRKSA-N -1 3 281.352 3.167 20 0 CGADHM O=C([N-]c1nncs1)c1cc2c(cncc2Cl)s1 ZINC001356402708 937158099 /nfs/dbraw/zinc/15/80/99/937158099.db2.gz UBHHKNRXYFLMBW-UHFFFAOYSA-N -1 3 296.764 3.054 20 0 CGADHM C[C@@H]([N-]C(=O)C(F)F)c1ccc(Cl)c(Cl)c1 ZINC000217634401 928157889 /nfs/dbraw/zinc/15/78/89/928157889.db2.gz DLGLTBUXAJYEEA-RXMQYKEDSA-N -1 3 268.090 3.436 20 0 CGADHM CC[C@@H]1CCN(Cc2nc(=O)c3sccc3[n-]2)[C@H]1C ZINC001434466315 937248791 /nfs/dbraw/zinc/24/87/91/937248791.db2.gz JEPPAIUWTVVCEC-VHSXEESVSA-N -1 3 277.393 3.017 20 0 CGADHM Cc1cccc([O-])c1C(=O)NCc1ccc([C@@H]2C[C@@H]2C)o1 ZINC001441751808 937339121 /nfs/dbraw/zinc/33/91/21/937339121.db2.gz ZTSVQCQFGXIHMH-WCQYABFASA-N -1 3 285.343 3.347 20 0 CGADHM Cc1occc1CNC(=O)c1cc2sccc2c([O-])c1 ZINC001442640223 937343409 /nfs/dbraw/zinc/34/34/09/937343409.db2.gz TXCJJIWYEIANHW-UHFFFAOYSA-N -1 3 287.340 3.438 20 0 CGADHM CCc1cccc(C(=O)Nc2cc(C(C)C)on2)c1[O-] ZINC001444921537 937354083 /nfs/dbraw/zinc/35/40/83/937354083.db2.gz KUMKYLHDQGTRNA-UHFFFAOYSA-N -1 3 274.320 3.318 20 0 CGADHM CCc1ccc(OC(=O)c2cccc([O-])c2F)c(OC)c1 ZINC001447100876 937367029 /nfs/dbraw/zinc/36/70/29/937367029.db2.gz FFAOEXHTDLTWIL-UHFFFAOYSA-N -1 3 290.290 3.322 20 0 CGADHM C[C@@H](C(=O)Nc1cc(Cl)ccc1[O-])c1cccc(O)c1 ZINC001546000410 937370982 /nfs/dbraw/zinc/37/09/82/937370982.db2.gz NBLDWYQUVXUUCL-SECBINFHSA-N -1 3 291.734 3.493 20 0 CGADHM CSc1cccnc1[N-]C(=O)c1cc(F)c(F)c(F)c1 ZINC001452826036 937398618 /nfs/dbraw/zinc/39/86/18/937398618.db2.gz XZOLITHTCWKGOK-UHFFFAOYSA-N -1 3 298.289 3.473 20 0 CGADHM CC[C@H](CCc1ccccc1)NC(=O)c1ccc(O)cc1[O-] ZINC001453464854 937402846 /nfs/dbraw/zinc/40/28/46/937402846.db2.gz KBZNBCIEECUVJV-CQSZACIVSA-N -1 3 299.370 3.239 20 0 CGADHM O=c1[n-]c(C2CC2)nc2c1CN(Cc1ccccc1CF)C2 ZINC001460718488 937541772 /nfs/dbraw/zinc/54/17/72/937541772.db2.gz NWUCPIWOYMINAS-UHFFFAOYSA-N -1 3 299.349 3.045 20 0 CGADHM COC[C@H](C)Oc1cc([O-])c(C(C)C)cc1C(C)=O ZINC001228959192 932060382 /nfs/dbraw/zinc/06/03/82/932060382.db2.gz UVDLHMHWCFHDHW-JTQLQIEISA-N -1 3 266.337 3.132 20 0 CGADHM [O-]c1cccc(O[C@@H]2C[C@H]3C=C[C@@H]2C3)c1Br ZINC001229139621 932102667 /nfs/dbraw/zinc/10/26/67/932102667.db2.gz JJLKGIKMIBKKNU-YGOYTEALSA-N -1 3 281.149 3.498 20 0 CGADHM CCC(=O)[C@H](CC)Oc1nc(=S)[n-]c2scc(C)c21 ZINC001229353946 932138768 /nfs/dbraw/zinc/13/87/68/932138768.db2.gz SSHHBQNSDLHDLM-VIFPVBQESA-N -1 3 296.417 3.425 20 0 CGADHM CC(=O)[C@@H](C)Oc1cc(C(=O)c2ccc(C)cc2)ccc1[O-] ZINC001229537000 932168950 /nfs/dbraw/zinc/16/89/50/932168950.db2.gz HZKGQPCLIREOAT-CYBMUJFWSA-N -1 3 298.338 3.288 20 0 CGADHM C[C@H](Oc1nc(=S)[n-]c2sccc21)C1CCOCC1 ZINC001229564812 932172142 /nfs/dbraw/zinc/17/21/42/932172142.db2.gz ISVIGORBRQMBAO-QMMMGPOBSA-N -1 3 296.417 3.174 20 0 CGADHM S=c1nc(OC[C@@H]2CCC=CO2)c2ccsc2[n-]1 ZINC001229563507 932172387 /nfs/dbraw/zinc/17/23/87/932172387.db2.gz BKEKOCVBJXRQQB-QMMMGPOBSA-N -1 3 280.374 3.052 20 0 CGADHM CC(C)=CCC[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC001229952033 932507950 /nfs/dbraw/zinc/50/79/50/932507950.db2.gz XNNLTSKHKNAHCX-GFCCVEGCSA-N -1 3 272.352 3.380 20 0 CGADHM CC(C)=CCC[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC001229952033 932507958 /nfs/dbraw/zinc/50/79/58/932507958.db2.gz XNNLTSKHKNAHCX-GFCCVEGCSA-N -1 3 272.352 3.380 20 0 CGADHM C[C@@H]1CC[C@@H](C)[C@H](Oc2ccccc2-c2nnn[n-]2)C1 ZINC001229954764 932509041 /nfs/dbraw/zinc/50/90/41/932509041.db2.gz OXQNJLIFCDDFKR-JTNHKYCSSA-N -1 3 272.352 3.070 20 0 CGADHM C[C@@H]1CC[C@@H](C)[C@H](Oc2ccccc2-c2nn[n-]n2)C1 ZINC001229954764 932509046 /nfs/dbraw/zinc/50/90/46/932509046.db2.gz OXQNJLIFCDDFKR-JTNHKYCSSA-N -1 3 272.352 3.070 20 0 CGADHM Cc1ccc([C@@H](C)Oc2ccccc2-c2nnn[n-]2)cc1 ZINC001229955620 932509105 /nfs/dbraw/zinc/50/91/05/932509105.db2.gz WKNSZANJDXFIMT-GFCCVEGCSA-N -1 3 280.331 3.315 20 0 CGADHM Cc1ccc([C@@H](C)Oc2ccccc2-c2nn[n-]n2)cc1 ZINC001229955620 932509109 /nfs/dbraw/zinc/50/91/09/932509109.db2.gz WKNSZANJDXFIMT-GFCCVEGCSA-N -1 3 280.331 3.315 20 0 CGADHM C[C@H]1CC[C@H](Oc2nc(=O)[n-]cc2-c2ccccc2)C1 ZINC001230971807 932650790 /nfs/dbraw/zinc/65/07/90/932650790.db2.gz BUJMSGUCTLDXLT-AAEUAGOBSA-N -1 3 270.332 3.417 20 0 CGADHM CCC[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(C)(C)C ZINC001231074584 932672448 /nfs/dbraw/zinc/67/24/48/932672448.db2.gz WHMSQADNRXNBFV-CYBMUJFWSA-N -1 3 274.368 3.460 20 0 CGADHM CCOC(=O)c1c(Cl)[n-]c(=O)cc1OC1CCCCC1 ZINC001231091310 932676753 /nfs/dbraw/zinc/67/67/53/932676753.db2.gz VBBDSJFQZGJXOK-UHFFFAOYSA-N -1 3 299.754 3.329 20 0 CGADHM O=C([N-]c1cc(Cl)cc(Cl)c1F)c1cnsn1 ZINC001462330894 937633315 /nfs/dbraw/zinc/63/33/15/937633315.db2.gz IHKYWIJCWFJRLG-UHFFFAOYSA-N -1 3 292.122 3.236 20 0 CGADHM COc1cccc(CNCc2ccc([O-])c(F)c2F)c1C ZINC001308871427 933194225 /nfs/dbraw/zinc/19/42/25/933194225.db2.gz IUMGECQMMIONCA-UHFFFAOYSA-N -1 3 293.313 3.277 20 0 CGADHM CC(=O)c1ccc(C(=O)N2CC[C@@H]2c2ccccc2)cc1[O-] ZINC001464173670 937687351 /nfs/dbraw/zinc/68/73/51/937687351.db2.gz MFEDBMVNWFPGJW-MRXNPFEDSA-N -1 3 295.338 3.182 20 0 CGADHM CC1(C)CCC[C@@](O)(C(=O)Nc2cc(Cl)ccc2[O-])C1 ZINC001466258522 937707192 /nfs/dbraw/zinc/70/71/92/937707192.db2.gz VCIFDWITGGSEGJ-HNNXBMFYSA-N -1 3 297.782 3.315 20 0 CGADHM O=C([N-]OC1CCCC1)C1(C2CCCCC2)CC1 ZINC001466410078 937708808 /nfs/dbraw/zinc/70/88/08/937708808.db2.gz CNSXBGDCXZMPFT-UHFFFAOYSA-N -1 3 251.370 3.337 20 0 CGADHM Cc1cc(NC(=O)c2c(C)cccc2[O-])cc2n[nH]cc21 ZINC001466558066 937710121 /nfs/dbraw/zinc/71/01/21/937710121.db2.gz MLPBHGGQGJCMMZ-UHFFFAOYSA-N -1 3 281.315 3.138 20 0 CGADHM CCc1ccc(C(=O)NC[C@@H]2CCC[C@H]2C)c([O-])c1 ZINC001467441965 937718256 /nfs/dbraw/zinc/71/82/56/937718256.db2.gz SVBOKXMKILBEIS-YPMHNXCESA-N -1 3 261.365 3.121 20 0 CGADHM Cc1ccc(C(=O)N[C@@H]2C[C@@H](C)Oc3ccccc32)c([O-])c1 ZINC001468236300 937725886 /nfs/dbraw/zinc/72/58/86/937725886.db2.gz HSNIMSKPNDFZKZ-IUODEOHRSA-N -1 3 297.354 3.343 20 0 CGADHM Cc1cccc([O-])c1C(=O)N[C@@H]1CCC[C@H](C2CC2)C1 ZINC001469186753 937736524 /nfs/dbraw/zinc/73/65/24/937736524.db2.gz QXCZJFWOAVGLLJ-UONOGXRCSA-N -1 3 273.376 3.399 20 0 CGADHM CSc1ccc([O-])c(C(=O)NC[C@@H]2C[C@@H]2[C@H]2C[C@H]2C)c1 ZINC001471882845 937770316 /nfs/dbraw/zinc/77/03/16/937770316.db2.gz ODPVXTQARJYVKX-URBCHYCLSA-N -1 3 291.416 3.136 20 0 CGADHM Cc1ccc(C(=O)Nc2ccc3ncn(C)c3c2)c([O-])c1C ZINC001472050682 937772114 /nfs/dbraw/zinc/77/21/14/937772114.db2.gz PYWASCNWYLOCAA-UHFFFAOYSA-N -1 3 295.342 3.148 20 0 CGADHM CCCCOc1ccc(C(=O)NC[C@H](C)C2CC2)c([O-])c1 ZINC001472494722 937776915 /nfs/dbraw/zinc/77/69/15/937776915.db2.gz NUPUKGFELVQZOJ-LBPRGKRZSA-N -1 3 291.391 3.347 20 0 CGADHM C[C@H](C(=O)Nc1c([O-])cccc1Cl)n1cccc1 ZINC001325022192 934882536 /nfs/dbraw/zinc/88/25/36/934882536.db2.gz AUYVCKCJTVGYMH-SECBINFHSA-N -1 3 264.712 3.047 20 0 CGADHM O=C([N-]OCC1CC1)C1(Cc2cccc(Cl)c2)CC1 ZINC001326543244 934988968 /nfs/dbraw/zinc/98/89/68/934988968.db2.gz BLKBMFKZASFQJG-UHFFFAOYSA-N -1 3 279.767 3.121 20 0 CGADHM O=C(OCc1cc(C2CC2)no1)c1cccc(Cl)c1[O-] ZINC001327103006 935029223 /nfs/dbraw/zinc/02/92/23/935029223.db2.gz KTWKXZQIHHAUKF-UHFFFAOYSA-N -1 3 293.706 3.268 20 0 CGADHM CC(C)Cc1nc(C(=O)[N-]c2c(F)ccnc2F)cs1 ZINC001331323957 935369274 /nfs/dbraw/zinc/36/92/74/935369274.db2.gz FGMNENDAWGFZLY-UHFFFAOYSA-N -1 3 297.330 3.267 20 0 CGADHM CC(C)(C)O[N-]C(=O)CC(C)(C)CC(F)(F)F ZINC001333056299 935508022 /nfs/dbraw/zinc/50/80/22/935508022.db2.gz ZUPXWLMVKQRGLA-UHFFFAOYSA-N -1 3 255.280 3.201 20 0 CGADHM CC1(C)CC[C@@H](NCc2cc(C(=O)[O-])n[nH]2)c2ccccc21 ZINC001334801197 936115211 /nfs/dbraw/zinc/11/52/11/936115211.db2.gz XIVJFAMYSNOKSN-CQSZACIVSA-N -1 3 299.374 3.010 20 0 CGADHM C[C@H]1CC[C@@H](c2nc3cc(-c4ccccc4)oc3c(=O)[n-]2)O1 ZINC001336370922 936190963 /nfs/dbraw/zinc/19/09/63/936190963.db2.gz SUAXBALRVQNPMQ-GWCFXTLKSA-N -1 3 296.326 3.423 20 0 CGADHM CSc1ccc(C(=O)[N-]c2cnoc2C(C)C)o1 ZINC001336629140 936202424 /nfs/dbraw/zinc/20/24/24/936202424.db2.gz PPARKZDGWPNWAB-UHFFFAOYSA-N -1 3 266.322 3.365 20 0 CGADHM [O-]c1ccc(CN2CCOC3(C2)CCCCCC3)cc1F ZINC001474348397 937853405 /nfs/dbraw/zinc/85/34/05/937853405.db2.gz HESMBGTZPWFEFN-UHFFFAOYSA-N -1 3 293.382 3.457 20 0 CGADHM Cc1ccc(F)c2oc(C(=O)[N-]c3cnoc3)cc21 ZINC001520328065 938024706 /nfs/dbraw/zinc/02/47/06/938024706.db2.gz HIQFQSYTNXYTJT-UHFFFAOYSA-N -1 3 260.224 3.121 20 0 CGADHM O=C([N-]c1cccc(Cl)c1F)c1c(F)ccnc1F ZINC001521754814 938034011 /nfs/dbraw/zinc/03/40/11/938034011.db2.gz FACAMXXZJWSSLC-UHFFFAOYSA-N -1 3 286.640 3.405 20 0 CGADHM C[C@H](C(=O)Nc1nnc(C(F)(F)F)[n-]1)[C@H](C)C(C)(C)C ZINC001538229930 938116439 /nfs/dbraw/zinc/11/64/39/938116439.db2.gz NGWDUUPRBMMVTB-BQBZGAKWSA-N -1 3 292.305 3.080 20 0 CGADHM C[C@H](C(=O)Nc1nc(C(F)(F)F)n[n-]1)[C@H](C)C(C)(C)C ZINC001538229930 938116440 /nfs/dbraw/zinc/11/64/40/938116440.db2.gz NGWDUUPRBMMVTB-BQBZGAKWSA-N -1 3 292.305 3.080 20 0 CGADHM Cc1nc(C(=O)[N-]c2cc(C(C)(C)F)on2)sc1C ZINC001540234292 938129126 /nfs/dbraw/zinc/12/91/26/938129126.db2.gz AZKHAGRQXTXOJA-UHFFFAOYSA-N -1 3 283.328 3.205 20 0 CGADHM CSc1ccc([O-])c(C(=O)NCCC(C)(C)C)c1 ZINC001540814396 938134069 /nfs/dbraw/zinc/13/40/69/938134069.db2.gz CFKQSRUCWLXDPH-UHFFFAOYSA-N -1 3 267.394 3.280 20 0 CGADHM O=C(c1ccccc1[O-])N1C[C@@H](Cc2ccccc2)[C@H](F)C1 ZINC001551719629 938184670 /nfs/dbraw/zinc/18/46/70/938184670.db2.gz BFYWIGRTHXKLNG-GDBMZVCRSA-N -1 3 299.345 3.045 20 0 CGADHM O=c1cc(N2CCC(c3cccc4[nH]ccc43)CC2)nc[n-]1 ZINC001553916659 938201102 /nfs/dbraw/zinc/20/11/02/938201102.db2.gz GVFNAWROEJQTMA-UHFFFAOYSA-N -1 3 294.358 3.048 20 0 CGADHM CC(C)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1[O-] ZINC001558361892 938214788 /nfs/dbraw/zinc/21/47/88/938214788.db2.gz AYKBBGSPWZPQLF-MRXNPFEDSA-N -1 3 283.371 3.389 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2C[C@H]3[C@H]4C=C[C@H](C4)[C@@]3(C)C2)c1 ZINC001558609668 938216687 /nfs/dbraw/zinc/21/66/87/938216687.db2.gz RTQKHFCRAQKTSI-QMYADUOMSA-N -1 3 297.398 3.239 20 0 CGADHM O=C(Nc1ccnn1C1CC1)c1cc([O-])c2ccccc2c1 ZINC001558762019 938217584 /nfs/dbraw/zinc/21/75/84/938217584.db2.gz CGGZUMRNCYXBHU-UHFFFAOYSA-N -1 3 293.326 3.329 20 0 CGADHM Cc1cccc(C(=O)Nc2nc(-c3ccccc3)no2)c1[O-] ZINC001558922957 938218423 /nfs/dbraw/zinc/21/84/23/938218423.db2.gz BIMAIYVCYOUPGD-UHFFFAOYSA-N -1 3 295.298 3.003 20 0 CGADHM CC(C)c1nccn1Cc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC001559389473 938226015 /nfs/dbraw/zinc/22/60/15/938226015.db2.gz DOEJANNHCYOGSB-UHFFFAOYSA-N -1 3 294.358 3.217 20 0 CGADHM O=c1cc(CN(CC2CC2)c2ccccc2)nc(C2CC2)[n-]1 ZINC001559618646 938231291 /nfs/dbraw/zinc/23/12/91/938231291.db2.gz KDSMAOOHIXWDHC-UHFFFAOYSA-N -1 3 295.386 3.476 20 0 CGADHM Cc1cccc(CN2Cc3ccccc3C[C@@H]2C(=O)[O-])c1F ZINC000384499378 971929645 /nfs/dbraw/zinc/92/96/45/971929645.db2.gz BXPMADKLSFUQJT-MRXNPFEDSA-N -1 3 299.345 3.146 20 0 CGADHM CCCC1CCN(Cc2cc(C(=O)[O-])ccc2OC)CC1 ZINC000050905971 957494362 /nfs/dbraw/zinc/49/43/62/957494362.db2.gz JUZOHGPOZFSVLA-UHFFFAOYSA-N -1 3 291.391 3.406 20 0 CGADHM CCC(CC)(CC)CNCc1ncc(C(=O)[O-])s1 ZINC000391173775 972322042 /nfs/dbraw/zinc/32/20/42/972322042.db2.gz IPPKGNRHUSJRRK-UHFFFAOYSA-N -1 3 270.398 3.147 20 0 CGADHM CC[C@](C)(NCc1c(Cl)cccc1Cl)C(=O)[O-] ZINC000094227913 958268864 /nfs/dbraw/zinc/26/88/64/958268864.db2.gz GTLSOUOSUXGBON-LBPRGKRZSA-N -1 3 276.163 3.336 20 0 CGADHM CC[C@@H](CSC)N(C)Cc1cc(C(=O)[O-])ccc1F ZINC000231028430 960181759 /nfs/dbraw/zinc/18/17/59/960181759.db2.gz PQHOYRSMIOKEJA-LBPRGKRZSA-N -1 3 285.384 3.097 20 0 CGADHM CC1CC(NCc2ccc(C(=O)[O-])cc2Br)C1 ZINC000232833736 960300527 /nfs/dbraw/zinc/30/05/27/960300527.db2.gz CUHXPQCWUWYGRM-UHFFFAOYSA-N -1 3 298.180 3.035 20 0 CGADHM CC[C@@](C)(CC(=O)[O-])NCc1c(F)ccc(C)c1F ZINC001594825884 960521169 /nfs/dbraw/zinc/52/11/69/960521169.db2.gz WKPPIEKYRHITIH-AWEZNQCLSA-N -1 3 271.307 3.006 20 0 CGADHM COc1ccccc1C[C@H](C)NC(=O)c1ccc(C)cc1[O-] ZINC001568385022 961569234 /nfs/dbraw/zinc/56/92/34/961569234.db2.gz VMMYSKUPINRICJ-ZDUSSCGKSA-N -1 3 299.370 3.070 20 0 CGADHM CCc1cc(NC(=O)Cc2ccc([O-])c(F)c2)ccc1F ZINC001568800804 961643949 /nfs/dbraw/zinc/64/39/49/961643949.db2.gz IEJYMONSKPNFQA-UHFFFAOYSA-N -1 3 291.297 3.414 20 0 CGADHM CC[C@H]1CCCC[C@@H]1CNC(=O)c1ccc(O)cc1[O-] ZINC001569767664 961836964 /nfs/dbraw/zinc/83/69/64/961836964.db2.gz BHWPWQBTBZZOFT-NWDGAFQWSA-N -1 3 277.364 3.044 20 0 CGADHM CCc1ccc(C(=O)N[C@@H]2c3ccccc3O[C@@H]2C)c([O-])c1 ZINC001570020101 961890761 /nfs/dbraw/zinc/89/07/61/961890761.db2.gz REJPVNSSQQCWEC-DIFFPNOSSA-N -1 3 297.354 3.207 20 0 CGADHM O=C([O-])CCCNC1(c2c(Cl)cccc2Cl)CC1 ZINC001574705054 962691849 /nfs/dbraw/zinc/69/18/49/962691849.db2.gz WCGWEHFMCPMCLQ-UHFFFAOYSA-N -1 3 288.174 3.437 20 0 CGADHM Cc1cc(C)c(-c2nnn[n-]2)c(SCC2(C)CCC2)n1 ZINC001580892424 962742868 /nfs/dbraw/zinc/74/28/68/962742868.db2.gz YLVGIKSTDXXZGC-UHFFFAOYSA-N -1 3 289.408 3.161 20 0 CGADHM Cc1cc(C)c(-c2nn[n-]n2)c(SCC2(C)CCC2)n1 ZINC001580892424 962742891 /nfs/dbraw/zinc/74/28/91/962742891.db2.gz YLVGIKSTDXXZGC-UHFFFAOYSA-N -1 3 289.408 3.161 20 0 CGADHM Cc1cc(F)c(-c2nnn[n-]2)c(N[C@@H]2CCC[C@H](F)C2)c1 ZINC001580930829 962748668 /nfs/dbraw/zinc/74/86/68/962748668.db2.gz MHHSVIHHBIXUMT-VHSXEESVSA-N -1 3 293.321 3.007 20 0 CGADHM Cc1cc(F)c(-c2nn[n-]n2)c(N[C@@H]2CCC[C@H](F)C2)c1 ZINC001580930829 962748676 /nfs/dbraw/zinc/74/86/76/962748676.db2.gz MHHSVIHHBIXUMT-VHSXEESVSA-N -1 3 293.321 3.007 20 0 CGADHM Cc1cc(Sc2ccccc2C)c(-c2nnn[n-]2)cn1 ZINC001581045027 962750455 /nfs/dbraw/zinc/75/04/55/962750455.db2.gz WXVBZBDHZZWDLS-UHFFFAOYSA-N -1 3 283.360 3.030 20 0 CGADHM Cc1cc(Sc2ccccc2C)c(-c2nn[n-]n2)cn1 ZINC001581045027 962750468 /nfs/dbraw/zinc/75/04/68/962750468.db2.gz WXVBZBDHZZWDLS-UHFFFAOYSA-N -1 3 283.360 3.030 20 0 CGADHM C[C@@H](NC(=O)c1ccccc1[O-])c1ccc2c(c1)CCCO2 ZINC001585269386 962994941 /nfs/dbraw/zinc/99/49/41/962994941.db2.gz RXTWWPVDQUHZJU-GFCCVEGCSA-N -1 3 297.354 3.208 20 0 CGADHM CC(C)c1ccc(C(=O)N[C@@H]2CCC[C@@H]2C)c([O-])c1 ZINC001585572420 963028919 /nfs/dbraw/zinc/02/89/19/963028919.db2.gz OUEILUBZFFIPJZ-SMDDNHRTSA-N -1 3 261.365 3.434 20 0 CGADHM CC(C)c1ccc(C(=O)N[C@H]2CCC[C@@H]2C)c([O-])c1 ZINC001585572417 963030822 /nfs/dbraw/zinc/03/08/22/963030822.db2.gz OUEILUBZFFIPJZ-FZMZJTMJSA-N -1 3 261.365 3.434 20 0 CGADHM CSc1ccc([O-])c(C(=O)NC[C@@H]2CCCC23CC3)c1 ZINC001586686448 963128393 /nfs/dbraw/zinc/12/83/93/963128393.db2.gz XHXJJSVNFBXZEK-NSHDSACASA-N -1 3 291.416 3.424 20 0 CGADHM CCc1ccc(NC(=O)c2cc(CC)ccc2[O-])nc1 ZINC001588593334 963282771 /nfs/dbraw/zinc/28/27/71/963282771.db2.gz DVUKIZGLZNIERR-UHFFFAOYSA-N -1 3 270.332 3.164 20 0 CGADHM CC(C)(C)CCSc1ccc(-c2nnn[n-]2)cc1 ZINC001589127481 963350579 /nfs/dbraw/zinc/35/05/79/963350579.db2.gz TVYVPCNTJXRXQS-UHFFFAOYSA-N -1 3 262.382 3.395 20 0 CGADHM CC(C)(C)CCSc1ccc(-c2nn[n-]n2)cc1 ZINC001589127481 963350587 /nfs/dbraw/zinc/35/05/87/963350587.db2.gz TVYVPCNTJXRXQS-UHFFFAOYSA-N -1 3 262.382 3.395 20 0 CGADHM CC(=O)c1ccc(CN(C)[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC001589283925 963976308 /nfs/dbraw/zinc/97/63/08/963976308.db2.gz UPHUZLKLHYFKPT-QGZVFWFLSA-N -1 3 297.354 3.147 20 0 CGADHM CC(C)O[C@@H]1C[C@H](N[C@H](C)c2cc(C(=O)[O-])co2)C1(C)C ZINC001591695791 975525949 /nfs/dbraw/zinc/52/59/49/975525949.db2.gz LDVIMXOAFBKRHE-DDTOSNHZSA-N -1 3 295.379 3.221 20 0 CGADHM CC[C@@](NCC=C(Cl)Cl)(C(=O)[O-])c1ccccc1 ZINC001595292548 980398074 /nfs/dbraw/zinc/39/80/74/980398074.db2.gz QVOAMCUVXOARSR-ZDUSSCGKSA-N -1 3 288.174 3.285 20 0 CGADHM CCc1nc(CN[C@H]2CCC[C@H](CCCC(=O)[O-])C2)co1 ZINC001597670248 988765352 /nfs/dbraw/zinc/76/53/52/988765352.db2.gz UXMZONJNJNCZMY-OLZOCXBDSA-N -1 3 294.395 3.140 20 0 CGADHM C[C@@H](N[C@@H](C(=O)[O-])c1ccc(Cl)cc1)c1cccnc1 ZINC001593190973 994129873 /nfs/dbraw/zinc/12/98/73/994129873.db2.gz ZXXLDOSGHLJYRN-QMTHXVAHSA-N -1 3 290.750 3.212 20 0 CGADHM C[C@H](NCCc1c(F)cccc1F)c1cc(C(=O)[O-])co1 ZINC001593274482 994625356 /nfs/dbraw/zinc/62/53/56/994625356.db2.gz LWNQQIJFDYZXAP-VIFPVBQESA-N -1 3 295.285 3.149 20 0 CGADHM C[C@H](NCc1ccc(C(=O)[O-])n1C)c1cccc(C2CC2)c1 ZINC001593297180 994700546 /nfs/dbraw/zinc/70/05/46/994700546.db2.gz SRJNIZFDMBCODV-LBPRGKRZSA-N -1 3 298.386 3.452 20 0 CGADHM C[C@@H](NCc1ccsc1)c1ccc(OCC(=O)[O-])cc1 ZINC001593309756 994766712 /nfs/dbraw/zinc/76/67/12/994766712.db2.gz ABEYSOXTYZJAOA-LLVKDONJSA-N -1 3 291.372 3.062 20 0 CGADHM C[C@H]1CCCC[C@H]1OCC(=O)Nc1ccc([O-])cc1F ZINC000124402224 187136288 /nfs/dbraw/zinc/13/62/88/187136288.db2.gz OOAMIUJERRJDMH-IINYFYTJSA-N -1 3 281.327 3.065 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)[C@@H]2O[C@H](C)C[C@@H]2C)c1[O-] ZINC000337481760 214111469 /nfs/dbraw/zinc/11/14/69/214111469.db2.gz XEYWFIGONBAHBW-IGJMFERPSA-N -1 3 283.755 3.106 20 0 CGADHM C[C@@H](CCC(C)(C)C)NC(=O)c1cc(F)cc2nn[n-]c21 ZINC000337517111 214134795 /nfs/dbraw/zinc/13/47/95/214134795.db2.gz VPSIWNNALNRIBS-VIFPVBQESA-N -1 3 292.358 3.042 20 0 CGADHM C[C@@H](CCC(C)(C)C)NC(=O)c1cc(F)cc2[n-]nnc21 ZINC000337517111 214134797 /nfs/dbraw/zinc/13/47/97/214134797.db2.gz VPSIWNNALNRIBS-VIFPVBQESA-N -1 3 292.358 3.042 20 0 CGADHM C[C@@H](CCC(C)(C)C)NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000337517111 214134799 /nfs/dbraw/zinc/13/47/99/214134799.db2.gz VPSIWNNALNRIBS-VIFPVBQESA-N -1 3 292.358 3.042 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N[C@@H](C(F)F)C2CCCCC2)n1 ZINC000621402118 349520481 /nfs/dbraw/zinc/52/04/81/349520481.db2.gz TYZQKIAFBGXREH-GXFFZTMASA-N -1 3 299.365 3.355 20 0 CGADHM C[C@@H]1C[C@H](C)CCN(C(=O)Cc2ccc([O-])cc2Cl)C1 ZINC000337655494 214200868 /nfs/dbraw/zinc/20/08/68/214200868.db2.gz MYBDUKZZEBLIAE-VXGBXAGGSA-N -1 3 295.810 3.483 20 0 CGADHM Cc1cc(C(=O)NCC2CCC(F)(F)CC2)ccc1[O-] ZINC000337732201 214238569 /nfs/dbraw/zinc/23/85/69/214238569.db2.gz XWHRYKBFQYGVJZ-UHFFFAOYSA-N -1 3 283.318 3.256 20 0 CGADHM C[C@@H]1CCC[C@H]1NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621857158 349597777 /nfs/dbraw/zinc/59/77/77/349597777.db2.gz RSLYXJPVJGUQFL-PRHODGIISA-N -1 3 287.281 3.329 20 0 CGADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1CCC=C(F)C1 ZINC000621941605 349611087 /nfs/dbraw/zinc/61/10/87/349611087.db2.gz VXACCXFVBKYIEZ-UHFFFAOYSA-N -1 3 289.228 3.110 20 0 CGADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1CC[C@H]2CCC[C@H]21 ZINC000621962505 349613859 /nfs/dbraw/zinc/61/38/59/349613859.db2.gz PYWIEMQLFKYSPC-NOZJJQNGSA-N -1 3 299.292 3.426 20 0 CGADHM CC[C@@H](C)[C@@H](C)N(C(=O)c1cc(OC)ccc1[O-])C1CC1 ZINC000436716689 529391288 /nfs/dbraw/zinc/39/12/88/529391288.db2.gz BQIYCGXPUWBAOH-VXGBXAGGSA-N -1 3 291.391 3.440 20 0 CGADHM CC1(C)CCN(C(=O)c2c([O-])cccc2O)CC(C)(C)C1 ZINC000622162705 349641217 /nfs/dbraw/zinc/64/12/17/349641217.db2.gz VNFLWBQDFCNFCU-UHFFFAOYSA-N -1 3 291.391 3.386 20 0 CGADHM CC[C@@H]1CO[C@H](C)CN1C(=O)c1ccc(C(C)C)cc1[O-] ZINC000436587022 529416134 /nfs/dbraw/zinc/41/61/34/529416134.db2.gz CYWSXXJUFGLUQW-TZMCWYRMSA-N -1 3 291.391 3.155 20 0 CGADHM CCc1cccc(C(=O)NCc2ccc(C)cc2)c1[O-] ZINC000622277293 349667010 /nfs/dbraw/zinc/66/70/10/349667010.db2.gz ZNZCRPYIOVEERG-UHFFFAOYSA-N -1 3 269.344 3.193 20 0 CGADHM COc1cc(Cl)c(F)c(C(=O)Nc2ccccc2[O-])c1 ZINC000622322588 349672056 /nfs/dbraw/zinc/67/20/56/349672056.db2.gz WUBMJAIXSLQXCC-UHFFFAOYSA-N -1 3 295.697 3.446 20 0 CGADHM CCc1cc(C(=O)NCc2ccccc2CC)ccc1[O-] ZINC000436698237 529518262 /nfs/dbraw/zinc/51/82/62/529518262.db2.gz PMKWZGPYEUALPK-UHFFFAOYSA-N -1 3 283.371 3.447 20 0 CGADHM COCC1(NC(=O)c2ccc(C(C)C)cc2[O-])CCCC1 ZINC000622746571 349698694 /nfs/dbraw/zinc/69/86/94/349698694.db2.gz CBRYJNXTHYVKJD-UHFFFAOYSA-N -1 3 291.391 3.205 20 0 CGADHM CCc1ccccc1CC(=O)Nc1ccccc1[O-] ZINC000190898077 529575201 /nfs/dbraw/zinc/57/52/01/529575201.db2.gz JYBAXKKXKOVVIV-UHFFFAOYSA-N -1 3 255.317 3.136 20 0 CGADHM CCc1ccc(-c2nc(-c3nc(C)cs3)no2)c([O-])c1 ZINC000436852825 529575783 /nfs/dbraw/zinc/57/57/83/529575783.db2.gz BGDWLTHJXKEGGO-UHFFFAOYSA-N -1 3 287.344 3.437 20 0 CGADHM CCc1ccc(C(=O)N[C@@H](C2CC2)C(F)(F)F)c([O-])c1 ZINC000436746021 529606337 /nfs/dbraw/zinc/60/63/37/529606337.db2.gz CMAUNBSDPQKOLA-LBPRGKRZSA-N -1 3 287.281 3.025 20 0 CGADHM CCc1ccc(C(=O)N2C[C@@H](C)C[C@H]2CC)c([O-])c1 ZINC000436833843 529600611 /nfs/dbraw/zinc/60/06/11/529600611.db2.gz NAVRVSIZJJSORC-WCQYABFASA-N -1 3 261.365 3.215 20 0 CGADHM Cc1ccnc(CSCc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000591390246 346920081 /nfs/dbraw/zinc/92/00/81/346920081.db2.gz XCQPMBKMQQGIJO-UHFFFAOYSA-N -1 3 287.388 3.196 20 0 CGADHM CC[C@@H](NC(=O)c1c[n-]c2ccccc2c1=O)C1CCCC1 ZINC000412404452 529661852 /nfs/dbraw/zinc/66/18/52/529661852.db2.gz SRVOBYQJGHBZCT-OAHLLOKOSA-N -1 3 298.386 3.227 20 0 CGADHM Cc1ccncc1C(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000335848888 136378394 /nfs/dbraw/zinc/37/83/94/136378394.db2.gz WRQHJZMCTIONCL-GFCCVEGCSA-N -1 3 282.343 3.250 20 0 CGADHM Cc1cccc([O-])c1C(=O)N(C)C1CCCCCC1 ZINC000623731377 349872866 /nfs/dbraw/zinc/87/28/66/349872866.db2.gz UHLWQBVEWRZMRC-UHFFFAOYSA-N -1 3 261.365 3.495 20 0 CGADHM CCC[C@@H](C)NC(=O)c1cc([O-])cc(Br)c1 ZINC000623685405 349867197 /nfs/dbraw/zinc/86/71/97/349867197.db2.gz MPNQDBYFUMEFGI-MRVPVSSYSA-N -1 3 286.169 3.073 20 0 CGADHM Cc1ccc(-c2nc(CCCOC(C)C)no2)c([O-])c1C ZINC000273926761 192366369 /nfs/dbraw/zinc/36/63/69/192366369.db2.gz PXNCFQIRBYMHEG-UHFFFAOYSA-N -1 3 290.363 3.417 20 0 CGADHM O=C(N[C@@H](c1ccccc1)C(F)F)c1cccc([O-])c1 ZINC000351531752 219118286 /nfs/dbraw/zinc/11/82/86/219118286.db2.gz YCNRLTICPFVSSP-ZDUSSCGKSA-N -1 3 277.270 3.128 20 0 CGADHM C/C=C\c1ccc(NC(=O)[N-]c2cnns2)cc1 ZINC000351536375 219118705 /nfs/dbraw/zinc/11/87/05/219118705.db2.gz OKRAWEBWDZUFHR-IHWYPQMZSA-N -1 3 260.322 3.215 20 0 CGADHM Cc1ccc2c(c1)[C@@H](NCc1nc(C)ccc1[O-])CC2 ZINC000592462069 346991368 /nfs/dbraw/zinc/99/13/68/346991368.db2.gz QEQLMENPJAMBKU-HNNXBMFYSA-N -1 3 268.360 3.181 20 0 CGADHM CC(C)O[N-]C(=O)CCCCCc1cccs1 ZINC000295520426 199545891 /nfs/dbraw/zinc/54/58/91/199545891.db2.gz IMSPDQXECJGPPR-UHFFFAOYSA-N -1 3 255.383 3.307 20 0 CGADHM CN(Cc1nc(-c2ccc([O-])cc2)no1)Cc1ccccc1 ZINC000436765412 530020937 /nfs/dbraw/zinc/02/09/37/530020937.db2.gz ARPVDKPZZIVWTC-UHFFFAOYSA-N -1 3 295.342 3.074 20 0 CGADHM CCN(CCc1ccccc1)C(=O)c1c(C)cccc1[O-] ZINC000623923505 349916212 /nfs/dbraw/zinc/91/62/12/349916212.db2.gz CNMWMKUYJBRCQF-UHFFFAOYSA-N -1 3 283.371 3.405 20 0 CGADHM O=C(Nc1ccc(F)cc1)c1c[n-]nc1-c1ccccc1 ZINC000011596036 344878806 /nfs/dbraw/zinc/87/88/06/344878806.db2.gz PTOMJNSUMUNYMI-UHFFFAOYSA-N -1 3 281.290 3.468 20 0 CGADHM CCC(=O)c1ccc(OCC(=O)Nc2ccccc2[O-])cc1 ZINC000016483035 344887084 /nfs/dbraw/zinc/88/70/84/344887084.db2.gz YVSVAEYOORXDNQ-UHFFFAOYSA-N -1 3 299.326 3.002 20 0 CGADHM C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1[O-] ZINC000057026302 345170994 /nfs/dbraw/zinc/17/09/94/345170994.db2.gz VXUQYLQLZVZSKL-JTQLQIEISA-N -1 3 291.734 3.452 20 0 CGADHM CCCC(C)(C)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000065268772 345270589 /nfs/dbraw/zinc/27/05/89/345270589.db2.gz WFBPVQXXGNYRHG-UHFFFAOYSA-N -1 3 281.830 3.259 20 0 CGADHM CC(C)(C)c1ccc([O-])c(NC(=O)c2n[nH]c3c2CCC3)c1 ZINC000078890546 345623712 /nfs/dbraw/zinc/62/37/12/345623712.db2.gz VBOYUEWXEGYIBS-UHFFFAOYSA-N -1 3 299.374 3.154 20 0 CGADHM C[C@H](c1ccccc1F)N1CCC(CCC(=O)[O-])CC1 ZINC000086756136 345750805 /nfs/dbraw/zinc/75/08/05/345750805.db2.gz SFHTXPSCOLJCRZ-GFCCVEGCSA-N -1 3 279.355 3.464 20 0 CGADHM CCc1cccc(C(=O)N2C[C@@H]3CCCC[C@H]3C2)c1[O-] ZINC000081808730 345718609 /nfs/dbraw/zinc/71/86/09/345718609.db2.gz JFRLALQPPLDDMK-KBPBESRZSA-N -1 3 273.376 3.217 20 0 CGADHM C[C@H]1[C@H](C(=O)[O-])CCN1Cc1ccccc1C(F)(F)F ZINC000092940422 345863433 /nfs/dbraw/zinc/86/34/33/345863433.db2.gz SOKIOEOJZHGIRQ-GXSJLCMTSA-N -1 3 287.281 3.000 20 0 CGADHM Cc1oc(CN(C)CCc2cccs2)cc1C(=O)[O-] ZINC000093268906 345873344 /nfs/dbraw/zinc/87/33/44/345873344.db2.gz GWBCYLAQAKMLKZ-UHFFFAOYSA-N -1 3 279.361 3.022 20 0 CGADHM CO[C@H](C)CN(Cc1cccc([O-])c1Cl)C(C)C ZINC000351644477 219160899 /nfs/dbraw/zinc/16/08/99/219160899.db2.gz QLIUPKOTVXDVNQ-LLVKDONJSA-N -1 3 271.788 3.291 20 0 CGADHM CC(C)Sc1ccc(CN2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000098150109 345910260 /nfs/dbraw/zinc/91/02/60/345910260.db2.gz GMFKRTRZIWNTFK-CQSZACIVSA-N -1 3 293.432 3.484 20 0 CGADHM O=C([O-])c1ccc(CN2CCCc3ccccc3C2)s1 ZINC000109602297 345943420 /nfs/dbraw/zinc/94/34/20/345943420.db2.gz LDYVOCDHGGLGOU-UHFFFAOYSA-N -1 3 287.384 3.395 20 0 CGADHM CCCn1c(=O)[n-]nc1SCCOC1CCCCCC1 ZINC000118610313 345990448 /nfs/dbraw/zinc/99/04/48/345990448.db2.gz XVCIGHZHMJFOER-UHFFFAOYSA-N -1 3 299.440 3.225 20 0 CGADHM CC(C)(C)CCCNC(=O)c1c[n-]c2ccccc2c1=O ZINC000126406417 346024067 /nfs/dbraw/zinc/02/40/67/346024067.db2.gz RLYCHBSPDBNNSE-UHFFFAOYSA-N -1 3 286.375 3.084 20 0 CGADHM C[C@H]1CCN(Cc2ccc(F)cc2Cl)[C@H](C(=O)[O-])C1 ZINC000129490049 346050435 /nfs/dbraw/zinc/05/04/35/346050435.db2.gz YRPMPVOKKVAZCC-ZANVPECISA-N -1 3 285.746 3.164 20 0 CGADHM CC[C@H](c1ccncc1)N(C)C(=O)c1cccc(C)c1[O-] ZINC000128325433 187363874 /nfs/dbraw/zinc/36/38/74/187363874.db2.gz OHNDENQIRZTRLG-OAHLLOKOSA-N -1 3 284.359 3.319 20 0 CGADHM COc1ccc(Cl)cc1CN1CC[C@@H](C)C[C@H]1C(=O)[O-] ZINC000129348463 346048320 /nfs/dbraw/zinc/04/83/20/346048320.db2.gz MABGWGZKCCCPQB-MFKMUULPSA-N -1 3 297.782 3.034 20 0 CGADHM O=C([O-])CC1CCN(Cc2ccc(C(F)F)cc2)CC1 ZINC000131709759 346067512 /nfs/dbraw/zinc/06/75/12/346067512.db2.gz NZCFHHCMXWRHFF-UHFFFAOYSA-N -1 3 283.318 3.311 20 0 CGADHM Cc1sc(C(=O)[O-])cc1CN1CCS[C@@H](C)[C@@H]1C ZINC000133104222 346075902 /nfs/dbraw/zinc/07/59/02/346075902.db2.gz KSECHHRFINDURB-IUCAKERBSA-N -1 3 285.434 3.081 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCC(c3ccccc3)CC2)n1 ZINC000177916125 232378370 /nfs/dbraw/zinc/37/83/70/232378370.db2.gz GVTRTOZGBRPPCJ-CQSZACIVSA-N -1 3 297.402 3.431 20 0 CGADHM COc1ccc([N-]S(=O)(=O)c2cccc(C)c2)c(C)c1 ZINC000170708357 346197547 /nfs/dbraw/zinc/19/75/47/346197547.db2.gz KFZUXNNOYFDWCR-UHFFFAOYSA-N -1 3 291.372 3.113 20 0 CGADHM Cc1cccc([O-])c1NC(=O)[C@H](C)c1ccccc1 ZINC000183876853 346257327 /nfs/dbraw/zinc/25/73/27/346257327.db2.gz MNYMOUJUNRWMNI-GFCCVEGCSA-N -1 3 255.317 3.443 20 0 CGADHM CC(C)[C@]1(C(=O)[O-])CCN(Cc2cccc(Cl)c2F)C1 ZINC000232752973 346327333 /nfs/dbraw/zinc/32/73/33/346327333.db2.gz VVHFUXWAADSQOE-HNNXBMFYSA-N -1 3 299.773 3.412 20 0 CGADHM O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1ccc(F)cc1Cl ZINC000229210504 346316254 /nfs/dbraw/zinc/31/62/54/346316254.db2.gz ZJYGUZGOEIOAPG-IUPBHXKESA-N -1 3 297.757 3.164 20 0 CGADHM C[C@H]1C[C@H](C)CN(Cc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000235723011 346336619 /nfs/dbraw/zinc/33/66/19/346336619.db2.gz RQHKJFKLZWNSHL-QWRGUYRKSA-N -1 3 265.328 3.002 20 0 CGADHM C[C@@H]([N-]S(=O)(=O)c1ccoc1)c1cc2ccccc2o1 ZINC000351713000 219184710 /nfs/dbraw/zinc/18/47/10/219184710.db2.gz HZVJPDYHKHTYNT-SNVBAGLBSA-N -1 3 291.328 3.065 20 0 CGADHM C[C@@H]1CCN(Cc2cc(Cl)ccc2F)[C@H](C(=O)[O-])C1 ZINC000300068803 346435938 /nfs/dbraw/zinc/43/59/38/346435938.db2.gz RNPAMYZOWFZQTI-RNCFNFMXSA-N -1 3 285.746 3.164 20 0 CGADHM CC[C@@H]1CC[C@@H](C)N(C(=O)c2ccc([O-])c(C)c2)C1 ZINC000311341420 346472721 /nfs/dbraw/zinc/47/27/21/346472721.db2.gz IMDSZPSFOHDNHH-CHWSQXEVSA-N -1 3 261.365 3.351 20 0 CGADHM CCc1[n-][nH]c(=NC(=O)C2(c3ccccc3)CCCC2)c1C ZINC000584665042 346706770 /nfs/dbraw/zinc/70/67/70/346706770.db2.gz YNVOVKOZJQDQJI-UHFFFAOYSA-N -1 3 297.402 3.153 20 0 CGADHM C[C@@H](CC(=O)OC(C)(C)C)NCc1cccc([O-])c1Cl ZINC000339248941 215040813 /nfs/dbraw/zinc/04/08/13/215040813.db2.gz USZDMWHFWSFLES-JTQLQIEISA-N -1 3 299.798 3.256 20 0 CGADHM [O-]c1cccnc1CSc1ccc(Cl)cn1 ZINC000583493136 346679802 /nfs/dbraw/zinc/67/98/02/346679802.db2.gz JRVSMVNRDXXCIX-UHFFFAOYSA-N -1 3 252.726 3.128 20 0 CGADHM CO[C@]1(C)C[C@H](N(C)Cc2c(F)ccc([O-])c2F)C1(C)C ZINC000351767148 219200041 /nfs/dbraw/zinc/20/00/41/219200041.db2.gz UCLGNIDKNGKZIO-XJKSGUPXSA-N -1 3 299.361 3.306 20 0 CGADHM CC(C)SCCN1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@H]21 ZINC000594734292 347215067 /nfs/dbraw/zinc/21/50/67/347215067.db2.gz VVAAVKWTRUPRLQ-HZSPNIEDSA-N -1 3 285.453 3.093 20 0 CGADHM CCS[C@H]1CCC[C@H]1NC(=O)c1c(C)cccc1[O-] ZINC000599630743 347760189 /nfs/dbraw/zinc/76/01/89/347760189.db2.gz UWZSFTDXCKESQR-YPMHNXCESA-N -1 3 279.405 3.105 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)[C@@H](C)C(C)C)c1-c1ccccc1 ZINC000603547403 348089538 /nfs/dbraw/zinc/08/95/38/348089538.db2.gz RNVHTUWSNXZRGM-NSHDSACASA-N -1 3 271.364 3.038 20 0 CGADHM O=C(NCc1ccc([O-])c(F)c1)c1cccc2cccnc21 ZINC000606536604 348190233 /nfs/dbraw/zinc/19/02/33/348190233.db2.gz CYHNZBRJKPNIRH-UHFFFAOYSA-N -1 3 296.301 3.010 20 0 CGADHM Cc1ccc([O-])c(C(=O)N[C@@H]2C[C@H]2Cc2ccccc2)c1 ZINC000607575318 348248918 /nfs/dbraw/zinc/24/89/18/348248918.db2.gz HYRZTBZVMJGVEM-GDBMZVCRSA-N -1 3 281.355 3.062 20 0 CGADHM Cc1cccc(C(=O)N2C3CCCC2CCC3)c1[O-] ZINC000607866485 348269078 /nfs/dbraw/zinc/26/90/78/348269078.db2.gz ZAERWONJCNLEAH-UHFFFAOYSA-N -1 3 259.349 3.248 20 0 CGADHM CCCn1c(=O)[n-]nc1SCCC1CCCCC1 ZINC000608101111 348286214 /nfs/dbraw/zinc/28/62/14/348286214.db2.gz CVFMFMXNAYUNLH-UHFFFAOYSA-N -1 3 269.414 3.456 20 0 CGADHM CSc1ccc([O-])c(C(=O)N2C[C@H](C)CC[C@@H]2C)c1 ZINC000611701418 348469036 /nfs/dbraw/zinc/46/90/36/348469036.db2.gz AJHIEUYAEBWOJG-MNOVXSKESA-N -1 3 279.405 3.375 20 0 CGADHM CSc1ccc([O-])c(C(=O)N2C[C@H](C)CC[C@H]2C)c1 ZINC000611701417 348469089 /nfs/dbraw/zinc/46/90/89/348469089.db2.gz AJHIEUYAEBWOJG-GHMZBOCLSA-N -1 3 279.405 3.375 20 0 CGADHM O=C(NCc1ccc([O-])c(F)c1)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC000612632574 348536502 /nfs/dbraw/zinc/53/65/02/348536502.db2.gz PTLRDLFJPIWPQX-VIKVFOODSA-N -1 3 291.366 3.364 20 0 CGADHM Cc1cc(C(=O)N(C)C[C@H](C)c2nccs2)ccc1[O-] ZINC000273439045 192149856 /nfs/dbraw/zinc/14/98/56/192149856.db2.gz FTWCRNSJVIZSTK-NSHDSACASA-N -1 3 290.388 3.033 20 0 CGADHM CCn1c(=O)[n-]nc1SCCc1ccc2ccccc2c1 ZINC000358013353 233036378 /nfs/dbraw/zinc/03/63/78/233036378.db2.gz KUBZCVVXQUYMMC-UHFFFAOYSA-N -1 3 299.399 3.492 20 0 CGADHM CCc1onc(C)c1[N-]C(=O)c1cc(SC)oc1C ZINC000613073729 348563368 /nfs/dbraw/zinc/56/33/68/348563368.db2.gz BSDFFWGMZFVKLN-UHFFFAOYSA-N -1 3 280.349 3.421 20 0 CGADHM COc1cccc(C(=O)N2CCCc3cccc([O-])c32)c1C ZINC000613161163 348570008 /nfs/dbraw/zinc/57/00/08/348570008.db2.gz VGAXECKEYZLCFQ-UHFFFAOYSA-N -1 3 297.354 3.302 20 0 CGADHM C[C@@H]1CCN(C(=O)c2ccc(CO)cc2)c2c([O-])cccc21 ZINC000613577632 348620214 /nfs/dbraw/zinc/62/02/14/348620214.db2.gz UXLIBJVHNXFWIT-GFCCVEGCSA-N -1 3 297.354 3.039 20 0 CGADHM CC[C@H]1[C@@H](C)CCN1C(=O)c1cc(SC)ccc1[O-] ZINC000613626819 348623842 /nfs/dbraw/zinc/62/38/42/348623842.db2.gz PUEVYIYOPLBUPA-GWCFXTLKSA-N -1 3 279.405 3.375 20 0 CGADHM Cc1ccc(CCNC(=O)c2ccc(C(C)C)cc2[O-])o1 ZINC000613722220 348629459 /nfs/dbraw/zinc/62/94/59/348629459.db2.gz ILVWEWNNZWFIMG-UHFFFAOYSA-N -1 3 287.359 3.390 20 0 CGADHM CC[C@H](CC(=O)Nc1[nH][n-]c2cc(=O)ccc1-2)C(C)C ZINC000615138085 348717842 /nfs/dbraw/zinc/71/78/42/348717842.db2.gz UCGOWIKLDSQIRN-SNVBAGLBSA-N -1 3 275.352 3.279 20 0 CGADHM CSc1ccc([O-])c(C(=O)N2CCC(C3CC3)CC2)c1 ZINC000615173934 348720524 /nfs/dbraw/zinc/72/05/24/348720524.db2.gz DVKVIJREBIXIAS-UHFFFAOYSA-N -1 3 291.416 3.376 20 0 CGADHM CC1(C)COCN1C(=O)CCc1ccc2ccccc2c1[O-] ZINC000614433807 348677581 /nfs/dbraw/zinc/67/75/81/348677581.db2.gz ZVFUJICFKURONH-UHFFFAOYSA-N -1 3 299.370 3.073 20 0 CGADHM CO[C@@H]1CC[C@@H](C(=O)Nc2ccc(C(C)(C)C)cc2[O-])C1 ZINC000614489233 348680353 /nfs/dbraw/zinc/68/03/53/348680353.db2.gz SGUKXBKUCIFCCW-DGCLKSJQSA-N -1 3 291.391 3.443 20 0 CGADHM Cc1cccc(C(=O)NCc2ccc([C@@H]3C[C@@H]3C)o2)c1[O-] ZINC000614752034 348692540 /nfs/dbraw/zinc/69/25/40/348692540.db2.gz GOGOQLUISVYLGE-SMDDNHRTSA-N -1 3 285.343 3.347 20 0 CGADHM [O-]c1ccc(F)c(CNCCc2ccccc2F)c1F ZINC000351987690 219278495 /nfs/dbraw/zinc/27/84/95/219278495.db2.gz XTKOYKFNCMBLMX-UHFFFAOYSA-N -1 3 281.277 3.142 20 0 CGADHM CC(=O)c1cccc(C(=O)Nc2c(C)cccc2[O-])c1 ZINC000336587006 213489761 /nfs/dbraw/zinc/48/97/61/213489761.db2.gz MDHCUOYORPZUIV-UHFFFAOYSA-N -1 3 269.300 3.156 20 0 CGADHM C[C@H]1CC[C@@H](CCC(=O)Nc2ccc([O-])cc2Cl)O1 ZINC000616941100 348884736 /nfs/dbraw/zinc/88/47/36/348884736.db2.gz RGAULYXUTDMHBG-ONGXEEELSA-N -1 3 283.755 3.332 20 0 CGADHM O=C(Nc1ccc([O-])cc1Cl)C1(C(F)(F)F)CC1 ZINC000616941677 348884971 /nfs/dbraw/zinc/88/49/71/348884971.db2.gz BDEJRZAAHWYEQX-UHFFFAOYSA-N -1 3 279.645 3.327 20 0 CGADHM CC(=O)C(C)(C)CCC(=O)Nc1ccc([O-])cc1Cl ZINC000616940928 348885209 /nfs/dbraw/zinc/88/52/09/348885209.db2.gz KTRRZJJLEXQYFL-UHFFFAOYSA-N -1 3 283.755 3.380 20 0 CGADHM CCC(C)(C)[C@@H](C)NC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000617569254 348972813 /nfs/dbraw/zinc/97/28/13/348972813.db2.gz TUFQHMKDJFQXHY-LLVKDONJSA-N -1 3 277.364 3.149 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-][C@H](C)[C@H](C)c2ccccc2)o1 ZINC000358598106 233164120 /nfs/dbraw/zinc/16/41/20/233164120.db2.gz USPPWASQXCPQHS-QWHCGFSZSA-N -1 3 293.388 3.059 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CCC[C@@H](CCF)C2)c1 ZINC000618695745 349145872 /nfs/dbraw/zinc/14/58/72/349145872.db2.gz GJWSVUGBBUMAMX-ZDUSSCGKSA-N -1 3 279.355 3.166 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2ccc3ncccc3c2)n1 ZINC000352034712 219296438 /nfs/dbraw/zinc/29/64/38/219296438.db2.gz GPNZZTCZJMTOKQ-ALCCZGGFSA-N -1 3 263.300 3.209 20 0 CGADHM COc1cccc(C2(NC(=O)c3cccc([O-])c3)CCC2)c1 ZINC000620348117 349358560 /nfs/dbraw/zinc/35/85/60/349358560.db2.gz SWMGVHCZHRDYQB-UHFFFAOYSA-N -1 3 297.354 3.210 20 0 CGADHM CC(C)[C@@H](NC(=O)CCCc1ccc([O-])c(F)c1)C1CC1 ZINC000620042508 349315683 /nfs/dbraw/zinc/31/56/83/349315683.db2.gz SIKMJLKDLPFJQG-QGZVFWFLSA-N -1 3 293.382 3.405 20 0 CGADHM CC[C@@H]1CCC[C@H](C)N1C(=O)c1ccc([O-])c(C)c1 ZINC000620577428 349389213 /nfs/dbraw/zinc/38/92/13/349389213.db2.gz HBCOJFUUORLZNO-GXTWGEPZSA-N -1 3 261.365 3.494 20 0 CGADHM COc1cccc(Cl)c1C=Cc1nc(C)cc(=O)[n-]1 ZINC000352040989 219300310 /nfs/dbraw/zinc/30/03/10/219300310.db2.gz URNMCIYLUXTLSH-SREVYHEPSA-N -1 3 276.723 3.323 20 0 CGADHM CC[C@@H]1CCC[C@H](C)N1C(=O)c1ccc(OC)cc1[O-] ZINC000620576204 349388428 /nfs/dbraw/zinc/38/84/28/349388428.db2.gz VPOIZOLMIFOKFI-NWDGAFQWSA-N -1 3 277.364 3.194 20 0 CGADHM O=C(NCC[C@H]1CC=CCC1)NCc1ccc([O-])c(F)c1 ZINC000624695798 350085612 /nfs/dbraw/zinc/08/56/12/350085612.db2.gz IITMDDLTYGHSDF-LBPRGKRZSA-N -1 3 292.354 3.077 20 0 CGADHM Cc1ccc(-c2nc([C@@H](C)c3cnccn3)no2)c([O-])c1C ZINC000624741006 350094777 /nfs/dbraw/zinc/09/47/77/350094777.db2.gz UWSUEDUHFNLFRM-NSHDSACASA-N -1 3 296.330 3.001 20 0 CGADHM C[C@H]1CCN(Cc2cc([O-])ccc2Cl)CCS1 ZINC000625375100 350164619 /nfs/dbraw/zinc/16/46/19/350164619.db2.gz WBRHOVDFAZJUEF-JTQLQIEISA-N -1 3 271.813 3.373 20 0 CGADHM [O-]c1ccc(Cl)c(CN2CCC[C@H]2c2cc[nH]n2)c1 ZINC000625377561 350165836 /nfs/dbraw/zinc/16/58/36/350165836.db2.gz MEKOFUSGJRATJP-AWEZNQCLSA-N -1 3 277.755 3.106 20 0 CGADHM [O-]c1ccc(Cl)c(CN2CC3(C2)CC(F)(F)C3)c1 ZINC000625274150 350150690 /nfs/dbraw/zinc/15/06/90/350150690.db2.gz LDDZDVFKBWTGSX-UHFFFAOYSA-N -1 3 273.710 3.277 20 0 CGADHM COc1ccccc1CCN(C)C(=O)c1c(C)cccc1[O-] ZINC000625268748 350150801 /nfs/dbraw/zinc/15/08/01/350150801.db2.gz SQBIRBRWGPTXCG-UHFFFAOYSA-N -1 3 299.370 3.024 20 0 CGADHM CC1(C)CN(Cc2cc([O-])ccc2Cl)[C@@H]1[C@@H]1CCCO1 ZINC000625432812 350170798 /nfs/dbraw/zinc/17/07/98/350170798.db2.gz OSXJSJUADKCJQM-LSDHHAIUSA-N -1 3 295.810 3.435 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CCC[C@H]1c1ccco1 ZINC000625673567 350195089 /nfs/dbraw/zinc/19/50/89/350195089.db2.gz OVJXYXSCNMJHSV-LBPRGKRZSA-N -1 3 271.316 3.271 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1Cc2ccccc2C[C@@H]1C ZINC000625806018 350215627 /nfs/dbraw/zinc/21/56/27/350215627.db2.gz AMSACGPGJRHDJP-ZDUSSCGKSA-N -1 3 281.355 3.288 20 0 CGADHM CC[C@H]1CCCCCN1C(=O)c1c(C)cccc1[O-] ZINC000625757362 350208022 /nfs/dbraw/zinc/20/80/22/350208022.db2.gz FNTZBMFSKOFTOW-ZDUSSCGKSA-N -1 3 261.365 3.495 20 0 CGADHM CSCC[C@@H](C)N(C)C(=O)c1ccc(C)c(C)c1[O-] ZINC000271337982 191082162 /nfs/dbraw/zinc/08/21/62/191082162.db2.gz FOABQSXEVOZVPZ-LLVKDONJSA-N -1 3 281.421 3.223 20 0 CGADHM C/C=C\C[C@@H]1CCCN(Cc2ccoc2C(=O)[O-])C1 ZINC000625971733 350238943 /nfs/dbraw/zinc/23/89/43/350238943.db2.gz XDRINYQJGHZDBO-ZZKXABKFSA-N -1 3 263.337 3.156 20 0 CGADHM Cc1cccc([O-])c1C(=O)N(C)CCc1cccs1 ZINC000625890018 350223824 /nfs/dbraw/zinc/22/38/24/350223824.db2.gz QOLXIXVIBGTWET-UHFFFAOYSA-N -1 3 275.373 3.077 20 0 CGADHM [O-]c1cccnc1CNCc1ccccc1CC(F)(F)F ZINC000628494382 350560455 /nfs/dbraw/zinc/56/04/55/350560455.db2.gz NBAFRQCKHDUUSC-UHFFFAOYSA-N -1 3 296.292 3.182 20 0 CGADHM CCc1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)S3)ccc1[O-] ZINC000628648813 350584080 /nfs/dbraw/zinc/58/40/80/350584080.db2.gz DQRCPXWOVAUWEN-KGLIPLIRSA-N -1 3 291.416 3.065 20 0 CGADHM Cc1ccc(C(=O)N2CC[C@@H](c3ccc(O)cc3)C2)c([O-])c1 ZINC000629666595 350733503 /nfs/dbraw/zinc/73/35/03/350733503.db2.gz UECJIADWOHMQDW-CQSZACIVSA-N -1 3 297.354 3.036 20 0 CGADHM C/C=C/C[C@H]1CCCN(C(=O)c2cc(OC)ccc2[O-])C1 ZINC000629878678 350783981 /nfs/dbraw/zinc/78/39/81/350783981.db2.gz OSYXAENJERRUKI-OOPCZODUSA-N -1 3 289.375 3.219 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)C2CC3(CC3)C2)c1-c1ccc(F)cc1 ZINC000630028142 350798649 /nfs/dbraw/zinc/79/86/49/350798649.db2.gz NLAOLWJEAHFAKC-UHFFFAOYSA-N -1 3 299.349 3.075 20 0 CGADHM Cc1cnc(CNC[C@@H](CC(=O)[O-])C2CCCCC2)s1 ZINC000630471482 350846102 /nfs/dbraw/zinc/84/61/02/350846102.db2.gz BYDNZNVXDPNYEI-CYBMUJFWSA-N -1 3 296.436 3.212 20 0 CGADHM C[C@H](C(=O)N1CC[C@@H](C)c2cccc([O-])c21)c1ccncc1 ZINC000632506852 351201969 /nfs/dbraw/zinc/20/19/69/351201969.db2.gz LCUPQZUFEPKECO-OLZOCXBDSA-N -1 3 296.370 3.431 20 0 CGADHM Cc1cc(C(=O)N2CCC[C@H](c3cccnc3)C2)ccc1[O-] ZINC000633537744 351319013 /nfs/dbraw/zinc/31/90/13/351319013.db2.gz BGGJAGCUCUCCKX-INIZCTEOSA-N -1 3 296.370 3.115 20 0 CGADHM CC(C)(F)CNC(=O)CCc1ccc2ccccc2c1[O-] ZINC000633720502 351353150 /nfs/dbraw/zinc/35/31/50/351353150.db2.gz NQOYYJQKQGEKCN-UHFFFAOYSA-N -1 3 289.350 3.342 20 0 CGADHM CSC[C@@H]1CCCN1C(=O)c1cc([O-])ccc1Cl ZINC000291385968 198006967 /nfs/dbraw/zinc/00/69/67/198006967.db2.gz VZAJUCDHGNQSHR-VIFPVBQESA-N -1 3 285.796 3.013 20 0 CGADHM C[C@H]1CCc2[n-]n(Cc3cccc(Cl)c3)c(=O)c21 ZINC000634605025 351538517 /nfs/dbraw/zinc/53/85/17/351538517.db2.gz YUOKOJJZLUKDSP-ZANVPECISA-N -1 3 262.740 3.084 20 0 CGADHM O=C([O-])c1ccc(CN2CCC[C@@H](C3CCC3)CC2)nc1 ZINC000634697900 351576020 /nfs/dbraw/zinc/57/60/20/351576020.db2.gz VRWWQJDEGIIOHM-CQSZACIVSA-N -1 3 288.391 3.182 20 0 CGADHM O=C(Nc1ccc([O-])c(Cl)c1)[C@@H]1CCN1C1CCCC1 ZINC000635720678 351685654 /nfs/dbraw/zinc/68/56/54/351685654.db2.gz BQSUZPAMIQHNSK-ZDUSSCGKSA-N -1 3 294.782 3.001 20 0 CGADHM CC(=O)c1cccc(NC(=O)CC(C)=C(C)C)c1[O-] ZINC000635930915 351702777 /nfs/dbraw/zinc/70/27/77/351702777.db2.gz YKEQSLALJVIPLV-UHFFFAOYSA-N -1 3 261.321 3.280 20 0 CGADHM Cc1ccsc1CNCc1c(F)ccc([O-])c1F ZINC000352269411 219386382 /nfs/dbraw/zinc/38/63/82/219386382.db2.gz OLXZCINWPVSYMY-UHFFFAOYSA-N -1 3 269.316 3.330 20 0 CGADHM C[C@@H](CC(=O)[N-]OC/C=C/Cl)c1ccc(F)cc1 ZINC000291757425 198082209 /nfs/dbraw/zinc/08/22/09/198082209.db2.gz HNNNPASLXVGASK-BPQDVTRRSA-N -1 3 271.719 3.120 20 0 CGADHM CC(C)CONC(=O)c1c[n-]nc1-c1ccccc1Cl ZINC000122991849 187064198 /nfs/dbraw/zinc/06/41/98/187064198.db2.gz IDSSETXTPMVJBV-UHFFFAOYSA-N -1 3 293.754 3.048 20 0 CGADHM CC(C)CONC(=O)c1cn[n-]c1-c1ccccc1Cl ZINC000122991849 187064199 /nfs/dbraw/zinc/06/41/99/187064199.db2.gz IDSSETXTPMVJBV-UHFFFAOYSA-N -1 3 293.754 3.048 20 0 CGADHM CCc1ncsc1NC(=O)c1ccc([O-])c(CC)c1 ZINC000292086347 198157997 /nfs/dbraw/zinc/15/79/97/198157997.db2.gz IFWAQWQQSGZXMH-UHFFFAOYSA-N -1 3 276.361 3.226 20 0 CGADHM O=C([N-]OC1CCCC1)[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC000271625198 191245402 /nfs/dbraw/zinc/24/54/02/191245402.db2.gz ASGVJQCUZSXFDK-QWHCGFSZSA-N -1 3 281.302 3.059 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)C[C@@H](C)c1ccccc1OC ZINC000292176543 198192552 /nfs/dbraw/zinc/19/25/52/198192552.db2.gz MEJKPPNCNJFKSY-QWHCGFSZSA-N -1 3 279.380 3.283 20 0 CGADHM Cn1ncc2ccc(-c3nc4cc(F)ccc4c(=O)[n-]3)cc21 ZINC000342253366 282852707 /nfs/dbraw/zinc/85/27/07/282852707.db2.gz VWFNMLZWMMYNQQ-UHFFFAOYSA-N -1 3 294.289 3.028 20 0 CGADHM CSc1cccc(NC(=O)[N-]OCC(C)C)c1C ZINC000271648317 191259195 /nfs/dbraw/zinc/25/91/95/191259195.db2.gz AQIABYFXSSGEDA-UHFFFAOYSA-N -1 3 268.382 3.426 20 0 CGADHM Cc1ccc([O-])c(CN2CCC[C@@H]2c2ccsc2)n1 ZINC000153535696 188088042 /nfs/dbraw/zinc/08/80/42/188088042.db2.gz HYYMNGMELYNICU-CQSZACIVSA-N -1 3 274.389 3.494 20 0 CGADHM CC(C)c1ccc(NC([O-])=NO[C@H]2CCCCO2)cc1 ZINC000155450103 188207433 /nfs/dbraw/zinc/20/74/33/188207433.db2.gz NVGPDNRRXQYIIT-AWEZNQCLSA-N -1 3 278.352 3.390 20 0 CGADHM CC(C)c1ccc(NC(=O)[N-]O[C@H]2CCCCO2)cc1 ZINC000155450103 188207434 /nfs/dbraw/zinc/20/74/34/188207434.db2.gz NVGPDNRRXQYIIT-AWEZNQCLSA-N -1 3 278.352 3.390 20 0 CGADHM [O-]C(=NO[C@H]1CCCCO1)Nc1cccc2c1CCCC2 ZINC000155500901 188210496 /nfs/dbraw/zinc/21/04/96/188210496.db2.gz DSTYGZCQUXKBIC-HNNXBMFYSA-N -1 3 290.363 3.145 20 0 CGADHM O=C([N-]O[C@H]1CCCCO1)Nc1cccc2c1CCCC2 ZINC000155500901 188210498 /nfs/dbraw/zinc/21/04/98/188210498.db2.gz DSTYGZCQUXKBIC-HNNXBMFYSA-N -1 3 290.363 3.145 20 0 CGADHM Cc1ccc([O-])c(CN(C)[C@@H](C)c2cccs2)n1 ZINC000157809100 188340246 /nfs/dbraw/zinc/34/02/46/188340246.db2.gz DCMGAOURIIAEMK-NSHDSACASA-N -1 3 262.378 3.350 20 0 CGADHM CC[C@@H](C)CON=C([O-])Nc1cccc(F)c1F ZINC000292745236 198397254 /nfs/dbraw/zinc/39/72/54/198397254.db2.gz WKNUBHWXSLSVSZ-MRVPVSSYSA-N -1 3 258.268 3.064 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)Nc1cccc(F)c1F ZINC000292745236 198397256 /nfs/dbraw/zinc/39/72/56/198397256.db2.gz WKNUBHWXSLSVSZ-MRVPVSSYSA-N -1 3 258.268 3.064 20 0 CGADHM O=C([N-]OCC1CC1)Nc1cccc(CC(F)(F)F)c1 ZINC000292820302 198421834 /nfs/dbraw/zinc/42/18/34/198421834.db2.gz SOJKVRZFIMBXHV-UHFFFAOYSA-N -1 3 288.269 3.255 20 0 CGADHM C[C@]1(C(=O)NCc2ccc([O-])c(F)c2)C[C@@H]1c1ccccc1 ZINC000412115224 235125551 /nfs/dbraw/zinc/12/55/51/235125551.db2.gz APKBERWCLBUNTQ-KDOFPFPSSA-N -1 3 299.345 3.341 20 0 CGADHM CCOc1ccc(NC([O-])=NOC2CCCC2)c(C)c1 ZINC000271848102 191364099 /nfs/dbraw/zinc/36/40/99/191364099.db2.gz VVOBJSRNFXWJCD-UHFFFAOYSA-N -1 3 278.352 3.389 20 0 CGADHM CCOc1ccc(NC(=O)[N-]OC2CCCC2)c(C)c1 ZINC000271848102 191364101 /nfs/dbraw/zinc/36/41/01/191364101.db2.gz VVOBJSRNFXWJCD-UHFFFAOYSA-N -1 3 278.352 3.389 20 0 CGADHM O=C([O-])CCCCN1CCSC[C@@H]1c1ccccc1 ZINC000181543305 304047739 /nfs/dbraw/zinc/04/77/39/304047739.db2.gz ULFVBFCUFCMMAQ-CQSZACIVSA-N -1 3 279.405 3.031 20 0 CGADHM O=[S@](CCC1=CCCCC1)c1cccc([O-])c1 ZINC000414246899 235372325 /nfs/dbraw/zinc/37/23/25/235372325.db2.gz NUGDEIIHKTVAFE-QGZVFWFLSA-N -1 3 250.363 3.390 20 0 CGADHM Cc1cc(C(=O)N(C)c2ccc(F)c(F)c2)ccc1[O-] ZINC000336356201 213204606 /nfs/dbraw/zinc/20/46/06/213204606.db2.gz DDKSVNGHEIERHY-UHFFFAOYSA-N -1 3 277.270 3.255 20 0 CGADHM O=C(Cc1c(Cl)cccc1Cl)Nc1ccncc1[O-] ZINC000109889297 138362067 /nfs/dbraw/zinc/36/20/67/138362067.db2.gz NSQMZWKLNYDVBI-UHFFFAOYSA-N -1 3 297.141 3.275 20 0 CGADHM C[C@@H](CC(=O)Nc1ccncc1[O-])c1ccc(F)cc1 ZINC000109891633 138362143 /nfs/dbraw/zinc/36/21/43/138362143.db2.gz MCRPWZJBKYDRBR-JTQLQIEISA-N -1 3 274.295 3.059 20 0 CGADHM COc1ccc([O-])c(C(=O)N(Cc2ccccc2)C(C)C)c1 ZINC000123739358 138369802 /nfs/dbraw/zinc/36/98/02/138369802.db2.gz SRRAFVGRQGGPKO-UHFFFAOYSA-N -1 3 299.370 3.452 20 0 CGADHM Cc1cccc([C@@H]2CCCN2C(=O)c2csc(=O)[n-]2)c1 ZINC000336313857 213156773 /nfs/dbraw/zinc/15/67/73/213156773.db2.gz FKBHEIJQEOBUIU-ZDUSSCGKSA-N -1 3 288.372 3.134 20 0 CGADHM [O-]c1cccc(CN2CCC([C@H]3CCCO3)CC2)c1Cl ZINC000294486555 199059143 /nfs/dbraw/zinc/05/91/43/199059143.db2.gz AVUSTRPANVLZQE-OAHLLOKOSA-N -1 3 295.810 3.437 20 0 CGADHM C[C@H]1CCCC[C@@H]1C(=O)Nc1cc(F)ccc1[O-] ZINC000424748888 236186633 /nfs/dbraw/zinc/18/66/33/236186633.db2.gz IWHVOANSGHDHMI-ONGXEEELSA-N -1 3 251.301 3.296 20 0 CGADHM O=C(CCc1ccc2ccccc2c1[O-])NCC(F)(F)F ZINC000294575987 199093025 /nfs/dbraw/zinc/09/30/25/199093025.db2.gz VVBPJAACFLDJAD-UHFFFAOYSA-N -1 3 297.276 3.157 20 0 CGADHM C[C@@H](CCCCC(=O)[O-])NCc1cc(F)ccc1F ZINC000426653728 236304864 /nfs/dbraw/zinc/30/48/64/236304864.db2.gz FJAAVXRCWQJPFV-JTQLQIEISA-N -1 3 271.307 3.088 20 0 CGADHM O=C([O-])c1ccc(CNCc2ccc(Cl)c(F)c2)cc1 ZINC000426681938 236306454 /nfs/dbraw/zinc/30/64/54/236306454.db2.gz CXFFAVXCVSKFFC-UHFFFAOYSA-N -1 3 293.725 3.467 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)[C@@H]2CCC(C)(C)O2)c1[O-] ZINC000426966558 236319990 /nfs/dbraw/zinc/31/99/90/236319990.db2.gz YVFSKJHSQQXWOK-NSHDSACASA-N -1 3 283.755 3.250 20 0 CGADHM Cc1cccc(OCCCNC(=O)c2cccc([O-])c2)c1C ZINC000428184962 236377229 /nfs/dbraw/zinc/37/72/29/236377229.db2.gz QRYQEAZOLNSJNJ-UHFFFAOYSA-N -1 3 299.370 3.208 20 0 CGADHM O=C(Nc1ccc(C2CCC2)cn1)c1cccc([O-])c1 ZINC000294770855 199175259 /nfs/dbraw/zinc/17/52/59/199175259.db2.gz NURMIFGMINVTPB-UHFFFAOYSA-N -1 3 268.316 3.307 20 0 CGADHM COc1ccccc1CNC(=O)c1ccc(C(C)C)cc1[O-] ZINC000436624637 237146535 /nfs/dbraw/zinc/14/65/35/237146535.db2.gz MFZABDRFRUJEBO-UHFFFAOYSA-N -1 3 299.370 3.454 20 0 CGADHM O=C(NCc1ccccc1OC1CCC1)c1ccccc1[O-] ZINC000436532118 237123636 /nfs/dbraw/zinc/12/36/36/237123636.db2.gz VHHDQJAPLDJNTL-UHFFFAOYSA-N -1 3 297.354 3.254 20 0 CGADHM Cc1ccc(C(=O)NCc2cc3ccccc3[nH]2)c([O-])c1 ZINC000436541707 237125832 /nfs/dbraw/zinc/12/58/32/237125832.db2.gz XVHUGLGDWHCJFW-UHFFFAOYSA-N -1 3 280.327 3.112 20 0 CGADHM Cc1ccc(C(=O)N2C[C@@H](C)CC[C@H]2C)c([O-])c1C ZINC000436579515 237138820 /nfs/dbraw/zinc/13/88/20/237138820.db2.gz ZTKHFAGJOQXFJN-CMPLNLGQSA-N -1 3 261.365 3.270 20 0 CGADHM CCOc1ncccc1NC(=O)c1ccc(CC)cc1[O-] ZINC000436819438 237185559 /nfs/dbraw/zinc/18/55/59/237185559.db2.gz NLQGSMPGDLDYKD-UHFFFAOYSA-N -1 3 286.331 3.001 20 0 CGADHM Cc1ccccc1C[C@@H](C)N(C)C(=O)c1ccccc1[O-] ZINC000436703515 237162005 /nfs/dbraw/zinc/16/20/05/237162005.db2.gz DXCTZKBQYPBWDT-CQSZACIVSA-N -1 3 283.371 3.404 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CC[C@@H](C)C(C)(C)C2)c1 ZINC000436954036 237221700 /nfs/dbraw/zinc/22/17/00/237221700.db2.gz DFLIINUZHRJKDQ-GFCCVEGCSA-N -1 3 261.365 3.209 20 0 CGADHM O=C(NCC1(C(F)F)CC1)c1cc2c(cc1[O-])CCCC2 ZINC000436990477 237227525 /nfs/dbraw/zinc/22/75/25/237227525.db2.gz PZDRGFWGVXIOEZ-UHFFFAOYSA-N -1 3 295.329 3.046 20 0 CGADHM Cc1ccc([O-])c(C(=O)N[C@H](C)c2cccc(F)c2F)c1 ZINC000436867815 237197367 /nfs/dbraw/zinc/19/73/67/237197367.db2.gz DUPMMGWHDZHMDP-SNVBAGLBSA-N -1 3 291.297 3.470 20 0 CGADHM Cc1ccc(/C=C/c2nc(-c3ccc([O-])cc3)no2)cn1 ZINC000436889279 237205133 /nfs/dbraw/zinc/20/51/33/237205133.db2.gz VYIRBVCCAPTKCC-RUDMXATFSA-N -1 3 279.299 3.316 20 0 CGADHM Cc1ccc(C(=O)NC(C)(C)c2ccc(C)nc2)c([O-])c1 ZINC000436924555 237211313 /nfs/dbraw/zinc/21/13/13/237211313.db2.gz WYAPONBNFAKOHI-UHFFFAOYSA-N -1 3 284.359 3.069 20 0 CGADHM Cc1ccc(C(=O)N(CC2CC2)C2CCC2)c([O-])c1C ZINC000436928382 237213776 /nfs/dbraw/zinc/21/37/76/237213776.db2.gz AUCAKRPBJANWCR-UHFFFAOYSA-N -1 3 273.376 3.414 20 0 CGADHM Cc1ccc(C(=O)N[C@@H]2CCCc3c(O)cccc32)c([O-])c1 ZINC000437001686 237231067 /nfs/dbraw/zinc/23/10/67/237231067.db2.gz WQSFOQRISJEMCF-OAHLLOKOSA-N -1 3 297.354 3.214 20 0 CGADHM CCCc1nc(C)c(C(=O)[N-]c2sccc2C#N)o1 ZINC000297898561 200300649 /nfs/dbraw/zinc/30/06/49/200300649.db2.gz RLDFGPMAFNHRIJ-UHFFFAOYSA-N -1 3 275.333 3.121 20 0 CGADHM Cc1ccc([O-])c(C(=O)N([C@@H](C)C(C)C)C2CC2)c1 ZINC000298315898 200392932 /nfs/dbraw/zinc/39/29/32/200392932.db2.gz QMSODJFTCBEZTC-LBPRGKRZSA-N -1 3 261.365 3.350 20 0 CGADHM CC1(C)CCC[C@H](C(=O)Nc2nnc(-c3ccccn3)[n-]2)C1 ZINC000179344791 189187573 /nfs/dbraw/zinc/18/75/73/189187573.db2.gz UASYDSZUPQDFPT-NSHDSACASA-N -1 3 299.378 3.022 20 0 CGADHM CC1(C)CCC[C@H](C(=O)Nc2nc(-c3ccccn3)n[n-]2)C1 ZINC000179344791 189187574 /nfs/dbraw/zinc/18/75/74/189187574.db2.gz UASYDSZUPQDFPT-NSHDSACASA-N -1 3 299.378 3.022 20 0 CGADHM CC1(C)CCC[C@H](C(=O)Nc2n[n-]c(-c3ccccn3)n2)C1 ZINC000179344791 189187575 /nfs/dbraw/zinc/18/75/75/189187575.db2.gz UASYDSZUPQDFPT-NSHDSACASA-N -1 3 299.378 3.022 20 0 CGADHM Cc1cccc(C)c1CC(=O)Nc1cccc([O-])c1F ZINC000180928031 189283884 /nfs/dbraw/zinc/28/38/84/189283884.db2.gz IMKAAAAMCRTWSH-UHFFFAOYSA-N -1 3 273.307 3.329 20 0 CGADHM O=C(Nc1ccc([O-])cc1F)c1nc2ccccc2s1 ZINC000119413925 370673645 /nfs/dbraw/zinc/67/36/45/370673645.db2.gz JONPGIYUMZDSOL-UHFFFAOYSA-N -1 3 288.303 3.393 20 0 CGADHM CCOCc1nnc([N-]Cc2cc3ccccc3s2)o1 ZINC000181850975 189308569 /nfs/dbraw/zinc/30/85/69/189308569.db2.gz ZGTNXWSQEZPSHZ-UHFFFAOYSA-N -1 3 289.360 3.433 20 0 CGADHM CCS[C@@H]1CCCC[C@H]1NC(=O)c1cccc([O-])c1 ZINC000182567954 189327617 /nfs/dbraw/zinc/32/76/17/189327617.db2.gz LIZMHCZJASYZSP-ZIAGYGMSSA-N -1 3 279.405 3.186 20 0 CGADHM CCO[N-]C(=O)Nc1cccc(-c2nc(C)c(C)o2)c1 ZINC000182953435 189340816 /nfs/dbraw/zinc/34/08/16/189340816.db2.gz ZCLNYXCYCHQMSJ-UHFFFAOYSA-N -1 3 275.308 3.031 20 0 CGADHM CCCn1ccc2ccc(NC(=O)[N-]OCC)cc21 ZINC000182990383 189341878 /nfs/dbraw/zinc/34/18/78/189341878.db2.gz JMXBGOADLOIFTA-UHFFFAOYSA-N -1 3 261.325 3.124 20 0 CGADHM CCO[N-]C(=O)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000184435116 189386305 /nfs/dbraw/zinc/38/63/05/189386305.db2.gz URKPDQFXDYUGGQ-UHFFFAOYSA-N -1 3 280.658 3.014 20 0 CGADHM O=[S@@](C[C@H]1CCCCC1(F)F)c1ccc([O-])cc1 ZINC000335634329 212348425 /nfs/dbraw/zinc/34/84/25/212348425.db2.gz ZFRJDXIDDLZWNC-MGNBDDOMSA-N -1 3 274.332 3.325 20 0 CGADHM CN(C(=O)c1csc(=O)[n-]1)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000335639703 212355317 /nfs/dbraw/zinc/35/53/17/212355317.db2.gz QMDLYUCNKYASBM-MWLCHTKSSA-N -1 3 282.409 3.136 20 0 CGADHM CCC(=O)C1(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])CC1 ZINC000451475745 240309179 /nfs/dbraw/zinc/30/91/79/240309179.db2.gz DANKTPNYJOVLKK-UHFFFAOYSA-N -1 3 289.375 3.388 20 0 CGADHM CC[C@]1(C(C)C)C[C@@H]1NC(=O)NCc1ccc([O-])c(F)c1 ZINC000455627351 241299114 /nfs/dbraw/zinc/29/91/14/241299114.db2.gz PMBAAZDLHGAZEW-GOEBONIOSA-N -1 3 294.370 3.155 20 0 CGADHM Cc1ccc(C(=O)N2CC[C@H](c3cccnc3)C2)c([O-])c1C ZINC000335551684 212255238 /nfs/dbraw/zinc/25/52/38/212255238.db2.gz CGFIRSBYYGFSGG-HNNXBMFYSA-N -1 3 296.370 3.034 20 0 CGADHM Cc1cccc(F)c1S(=O)(=O)[N-][C@@H]1CC12CCCCC2 ZINC000476536022 243014924 /nfs/dbraw/zinc/01/49/24/243014924.db2.gz PKVPXFALDRNTBR-CYBMUJFWSA-N -1 3 297.395 3.135 20 0 CGADHM Cc1cccc(F)c1S(=O)(=O)[N-][C@H]1CC12CCCCC2 ZINC000476536024 243015212 /nfs/dbraw/zinc/01/52/12/243015212.db2.gz PKVPXFALDRNTBR-ZDUSSCGKSA-N -1 3 297.395 3.135 20 0 CGADHM O=C(c1cccc([O-])c1)N1CCC[C@@H](CC(F)(F)F)C1 ZINC000335490367 212167202 /nfs/dbraw/zinc/16/72/02/212167202.db2.gz ZXJVLWWMMZGXTF-JTQLQIEISA-N -1 3 287.281 3.197 20 0 CGADHM CC(C)=CC[N-]S(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000480690164 243161575 /nfs/dbraw/zinc/16/15/75/243161575.db2.gz AEYVEMLACVJWSH-UHFFFAOYSA-N -1 3 291.775 3.032 20 0 CGADHM CC(C)=CC[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000480700849 243162003 /nfs/dbraw/zinc/16/20/03/243162003.db2.gz TWVIOZVKJAPDDK-UHFFFAOYSA-N -1 3 294.203 3.238 20 0 CGADHM CCOc1ccc(NC(=O)c2ccc(C)cc2[O-])cc1 ZINC000019838037 368770637 /nfs/dbraw/zinc/77/06/37/368770637.db2.gz BAHJDVUJRWDFCS-UHFFFAOYSA-N -1 3 271.316 3.352 20 0 CGADHM COC(=O)c1ccc(F)c([N-]C(=O)c2ccc(Cl)o2)c1 ZINC000026500430 368861328 /nfs/dbraw/zinc/86/13/28/368861328.db2.gz ISYURRXLBVEBKB-UHFFFAOYSA-N -1 3 297.669 3.111 20 0 CGADHM COc1cc(C(=O)N(C)Cc2ccc(C)s2)ccc1[O-] ZINC000276023953 193191117 /nfs/dbraw/zinc/19/11/17/193191117.db2.gz SPSCCEDDEMWRSJ-UHFFFAOYSA-N -1 3 291.372 3.043 20 0 CGADHM O=S(=O)([N-]CC1CCC1)c1ccc(Cl)c(Cl)c1 ZINC000030360250 368902224 /nfs/dbraw/zinc/90/22/24/368902224.db2.gz CBCRYTLQLDHUDV-UHFFFAOYSA-N -1 3 294.203 3.072 20 0 CGADHM CC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccccc1F ZINC000037988238 369134055 /nfs/dbraw/zinc/13/40/55/369134055.db2.gz MWWFGNIHTUZTEC-WCQYABFASA-N -1 3 285.384 3.073 20 0 CGADHM Cc1ncsc1/C=C/C(=O)Nc1ccc(Cl)cc1[O-] ZINC000492664735 244003874 /nfs/dbraw/zinc/00/38/74/244003874.db2.gz XDRNYUYQQYNROU-SNAWJCMRSA-N -1 3 294.763 3.462 20 0 CGADHM O=C(/C=C\c1cccc2ccccc12)[N-]OC1CCOCC1 ZINC000492674427 244005581 /nfs/dbraw/zinc/00/55/81/244005581.db2.gz FNOSFBGSZGAIHB-HJWRWDBZSA-N -1 3 297.354 3.080 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)/C=C/c2cncs2)c1[O-] ZINC000493065993 244090341 /nfs/dbraw/zinc/09/03/41/244090341.db2.gz WUZPDBVIALOMRG-NSCUHMNNSA-N -1 3 294.763 3.462 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)/C=C\SCc1ccco1 ZINC000493285195 244132242 /nfs/dbraw/zinc/13/22/42/244132242.db2.gz FSZALNHNOGIFRM-BPOWMSRESA-N -1 3 269.366 3.120 20 0 CGADHM Cc1cc(C)cc(CN(C)C(=O)/C=C\c2cncc([O-])c2)c1 ZINC000493625536 244200769 /nfs/dbraw/zinc/20/07/69/244200769.db2.gz VSZBZPFEJYYCNS-PLNGDYQASA-N -1 3 296.370 3.076 20 0 CGADHM CC(C)Oc1ccc(/C=C\C(=O)[N-]OC2CCC2)cc1 ZINC000493807672 244234990 /nfs/dbraw/zinc/23/49/90/244234990.db2.gz DTHGDBJYYLKNPV-FLIBITNWSA-N -1 3 275.348 3.087 20 0 CGADHM Cc1cc(CN[C@@H](C(=O)[O-])c2ccccc2)ccc1F ZINC000050545758 369441347 /nfs/dbraw/zinc/44/13/47/369441347.db2.gz ZHYOMQUYMBFQNU-OAHLLOKOSA-N -1 3 273.307 3.050 20 0 CGADHM CC[C@@H](C)Cc1c(C)sc2[n-]c(COC)nc(=O)c12 ZINC000053844992 369489369 /nfs/dbraw/zinc/48/93/69/369489369.db2.gz JGUPBKXTVDKDIN-MRVPVSSYSA-N -1 3 280.393 3.028 20 0 CGADHM CSCc1cccc(NC(=O)c2c([O-])cccc2O)c1 ZINC000537720066 376197382 /nfs/dbraw/zinc/19/73/82/376197382.db2.gz KHTNGNARHKRQLJ-UHFFFAOYSA-N -1 3 289.356 3.213 20 0 CGADHM O=C(CCCc1cccs1)[N-]OCc1ccccc1 ZINC000061509122 369601685 /nfs/dbraw/zinc/60/16/85/369601685.db2.gz RORFWAFXWQTCJQ-UHFFFAOYSA-N -1 3 275.373 3.319 20 0 CGADHM CCO[N-]C(=O)CCc1cccc(OC2CCCC2)c1 ZINC000067904119 369735699 /nfs/dbraw/zinc/73/56/99/369735699.db2.gz DIFSGVKCLKNLPJ-UHFFFAOYSA-N -1 3 277.364 3.008 20 0 CGADHM Cc1cccc([O-])c1NC(=O)C[C@@H](C)n1cccc1 ZINC000538715810 288583461 /nfs/dbraw/zinc/58/34/61/288583461.db2.gz YRKAVISFGLIEQG-GFCCVEGCSA-N -1 3 258.321 3.092 20 0 CGADHM CCC[C@H](NCc1cccc(Cl)c1Cl)C(=O)[O-] ZINC000075436676 369907302 /nfs/dbraw/zinc/90/73/02/369907302.db2.gz ROCDXNSSCVWKKS-JTQLQIEISA-N -1 3 276.163 3.336 20 0 CGADHM CCCC[C@@H](NCc1ccccc1Cl)C(=O)[O-] ZINC000075423870 369907688 /nfs/dbraw/zinc/90/76/88/369907688.db2.gz IQXAJZFCDVESKT-GFCCVEGCSA-N -1 3 255.745 3.073 20 0 CGADHM CCc1cccc2c(CC(=O)Nc3ncccc3[O-])c[nH]c21 ZINC000109317021 370361603 /nfs/dbraw/zinc/36/16/03/370361603.db2.gz GCLIUQCERNXPOT-UHFFFAOYSA-N -1 3 295.342 3.012 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)CC[C@H]2CCCO2)c1[O-] ZINC000116979215 370576628 /nfs/dbraw/zinc/57/66/28/370576628.db2.gz LVLFFMRGVBPZLU-LLVKDONJSA-N -1 3 283.755 3.252 20 0 CGADHM Cc1ccc([O-])c(-c2nc([C@H]3CCO[C@@H](C)C3)no2)c1 ZINC000331643459 204036986 /nfs/dbraw/zinc/03/69/86/204036986.db2.gz JYQXOUZSVWLOPV-QWRGUYRKSA-N -1 3 274.320 3.033 20 0 CGADHM Cc1n[nH]c(C)c1[C@H](C)CC(=O)Nc1cc(F)ccc1[O-] ZINC000132137764 371154511 /nfs/dbraw/zinc/15/45/11/371154511.db2.gz ZAWSQOUASBIVIQ-MRVPVSSYSA-N -1 3 291.326 3.004 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)C[C@H]2CCCCO2)c1[O-] ZINC000133121517 371228636 /nfs/dbraw/zinc/22/86/36/371228636.db2.gz XHLNCTQLZDFMKT-LLVKDONJSA-N -1 3 283.755 3.252 20 0 CGADHM CCN(CCOc1ccccc1C)C(=O)c1cccc([O-])c1 ZINC000421968058 371716736 /nfs/dbraw/zinc/71/67/36/371716736.db2.gz NJMGUZXWDPPIED-UHFFFAOYSA-N -1 3 299.370 3.242 20 0 CGADHM Cc1ccc(NC(=O)c2cc(F)c(F)cc2F)c([O-])c1 ZINC000153312691 371763287 /nfs/dbraw/zinc/76/32/87/371763287.db2.gz YRQVTDLHBXTRDW-UHFFFAOYSA-N -1 3 281.233 3.370 20 0 CGADHM CCc1ncsc1NC(=O)c1cc(CC)ccc1[O-] ZINC000154025459 371811379 /nfs/dbraw/zinc/81/13/79/371811379.db2.gz BNKXTCDWGLFXLO-UHFFFAOYSA-N -1 3 276.361 3.226 20 0 CGADHM FC(F)Cn1ccc([N-]c2nc(C(F)(F)F)cs2)n1 ZINC000154139125 371821007 /nfs/dbraw/zinc/82/10/07/371821007.db2.gz KFBIMILOUIDABJ-UHFFFAOYSA-N -1 3 298.240 3.367 20 0 CGADHM CC(C)c1ccc(C(=O)Nc2ccccc2[O-])cn1 ZINC000154655215 371864914 /nfs/dbraw/zinc/86/49/14/371864914.db2.gz MWVLNCCSGBRYRK-UHFFFAOYSA-N -1 3 256.305 3.163 20 0 CGADHM O=C(Cc1ccc([O-])cc1Cl)N1CCC[C@H]2CCC[C@@H]21 ZINC000154811817 371881124 /nfs/dbraw/zinc/88/11/24/371881124.db2.gz LDOMRPPDOFTBNI-ABAIWWIYSA-N -1 3 293.794 3.379 20 0 CGADHM CC[C@@H]1CCC[C@@H]1NC(=O)c1cc([O-])ccc1Cl ZINC000290262879 371950092 /nfs/dbraw/zinc/95/00/92/371950092.db2.gz AJYFSUIHXZCLDA-RNCFNFMXSA-N -1 3 267.756 3.354 20 0 CGADHM Cc1noc(C2CC2)c1[N-]C(=O)c1scnc1C1CC1 ZINC000159056573 372102554 /nfs/dbraw/zinc/10/25/54/372102554.db2.gz JLAVFEYZTBHGKI-UHFFFAOYSA-N -1 3 289.360 3.447 20 0 CGADHM O=S(=O)([N-]CCC1=CCCC1)c1ccc(Cl)s1 ZINC000159093104 372104967 /nfs/dbraw/zinc/10/49/67/372104967.db2.gz SRBISIHUOVDUPY-UHFFFAOYSA-N -1 3 291.825 3.180 20 0 CGADHM CSc1ccccc1[N-]C(=O)c1snnc1C1CC1 ZINC000291206793 372138280 /nfs/dbraw/zinc/13/82/80/372138280.db2.gz QUOFURBVLRAEPQ-UHFFFAOYSA-N -1 3 291.401 3.390 20 0 CGADHM COCCC1(C)CN(C(=O)c2ccc(C(C)C)cc2[O-])C1 ZINC000291244899 372146157 /nfs/dbraw/zinc/14/61/57/372146157.db2.gz OMCGQNKAIPUKAU-UHFFFAOYSA-N -1 3 291.391 3.014 20 0 CGADHM O=C([N-]c1ccc(F)c(F)c1F)c1snnc1C1CC1 ZINC000291140807 372125183 /nfs/dbraw/zinc/12/51/83/372125183.db2.gz XVKJZNVVKCDTSF-UHFFFAOYSA-N -1 3 299.277 3.085 20 0 CGADHM [O-]c1cccc(CNC[C@@H]2CCCSC2)c1Cl ZINC000292841994 372224319 /nfs/dbraw/zinc/22/43/19/372224319.db2.gz BECSMYPENPMXRT-JTQLQIEISA-N -1 3 271.813 3.278 20 0 CGADHM Cc1ccc(NC(=O)[N-]OCC2CC2)c(Br)c1 ZINC000292922498 372249055 /nfs/dbraw/zinc/24/90/55/372249055.db2.gz XXQCADKZZHNSOS-UHFFFAOYSA-N -1 3 299.168 3.221 20 0 CGADHM Cc1cc(Cl)cc(C)c1CNCc1cnc(C)[n-]c1=O ZINC000344299388 217139992 /nfs/dbraw/zinc/13/99/92/217139992.db2.gz HNPOIFNQXUNTKM-UHFFFAOYSA-N -1 3 291.782 3.051 20 0 CGADHM COC(C)(C)c1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000293415052 372378333 /nfs/dbraw/zinc/37/83/33/372378333.db2.gz LZSZJUZCYHGZRV-UHFFFAOYSA-N -1 3 284.315 3.477 20 0 CGADHM CO[C@@H]1CCCC[C@H]1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000293425040 372379361 /nfs/dbraw/zinc/37/93/61/372379361.db2.gz QHUZHTRVWCUJRE-ZWNOBZJWSA-N -1 3 283.755 3.189 20 0 CGADHM O=C(CC1CC(c2ccccc2)C1)[N-]OCC1CC1 ZINC000293761272 372473231 /nfs/dbraw/zinc/47/32/31/372473231.db2.gz LRZIYAUHHSEFSV-UHFFFAOYSA-N -1 3 259.349 3.028 20 0 CGADHM CN(C)c1cccc(CNCc2cccc([O-])c2Cl)c1 ZINC000293633929 372431703 /nfs/dbraw/zinc/43/17/03/372431703.db2.gz RHAVUCIWVMCNEC-UHFFFAOYSA-N -1 3 290.794 3.401 20 0 CGADHM Cc1cccc(C(=O)N2CC3(CCC3)[C@H]2C(C)C)c1[O-] ZINC000293725445 372462686 /nfs/dbraw/zinc/46/26/86/372462686.db2.gz TXAZAINWAGDKGC-OAHLLOKOSA-N -1 3 273.376 3.351 20 0 CGADHM CCC[C@H]1[C@H](C)CCCN1Cc1nc(CC)cc(=O)[n-]1 ZINC000344385266 217175351 /nfs/dbraw/zinc/17/53/51/217175351.db2.gz XSFARWVFUULOQX-OCCSQVGLSA-N -1 3 277.412 3.145 20 0 CGADHM CC1(C)CN(C(=O)c2cccc([O-])c2)[C@@H]1c1cccnc1 ZINC000293750187 372468152 /nfs/dbraw/zinc/46/81/52/372468152.db2.gz MDGYQIJWBNHXTN-OAHLLOKOSA-N -1 3 282.343 3.011 20 0 CGADHM CCc1cc(=O)[n-]c(CN(C)[C@@H](C)Cc2ccc(C)cc2)n1 ZINC000344419312 217187433 /nfs/dbraw/zinc/18/74/33/217187433.db2.gz YGTNHBOFRDNFKC-AWEZNQCLSA-N -1 3 299.418 3.116 20 0 CGADHM Cc1cccc2c(=O)c(C(=O)N3C[C@H]4CCC[C@@H]4C3)c[n-]c12 ZINC000164772827 372531402 /nfs/dbraw/zinc/53/14/02/372531402.db2.gz XORGAIKWPBPZBS-CHWSQXEVSA-N -1 3 296.370 3.121 20 0 CGADHM COC(=O)c1[n-]c(=N[C@@H]2CC[C@H]3CCC[C@@H]3C2)sc1C ZINC000433765345 372627569 /nfs/dbraw/zinc/62/75/69/372627569.db2.gz KMQMGUOOSWECPI-IJLUTSLNSA-N -1 3 294.420 3.041 20 0 CGADHM Cc1ccc(NC(=O)[C@H](c2cccnc2)C(C)C)c([O-])c1 ZINC000435394747 372758551 /nfs/dbraw/zinc/75/85/51/372758551.db2.gz LFARMNJIFSWJLS-INIZCTEOSA-N -1 3 284.359 3.474 20 0 CGADHM CC(C)O[N-]C(=O)C[C@@H](C)c1c[nH]c2ccccc21 ZINC000295484192 372800068 /nfs/dbraw/zinc/80/00/68/372800068.db2.gz FBPFUKHQAHTIRY-LLVKDONJSA-N -1 3 260.337 3.118 20 0 CGADHM Cc1cccc(C(=O)N[C@@H]2CCCO[C@H]2CC(C)C)c1[O-] ZINC000436561855 372835824 /nfs/dbraw/zinc/83/58/24/372835824.db2.gz KWOVGHISLOCQNX-CABCVRRESA-N -1 3 291.391 3.024 20 0 CGADHM CCCN(CC)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000344635683 217256896 /nfs/dbraw/zinc/25/68/96/217256896.db2.gz SIPNRIOPCDVXGU-UHFFFAOYSA-N -1 3 267.344 3.113 20 0 CGADHM CC(C)O[N-]C(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000295773693 372905996 /nfs/dbraw/zinc/90/59/96/372905996.db2.gz XDIPEDPBSKORMI-HOTGVXAUSA-N -1 3 269.344 3.400 20 0 CGADHM Cc1cccc(OCCCCC(=O)[N-]OC(C)C)c1 ZINC000295795099 372914312 /nfs/dbraw/zinc/91/43/12/372914312.db2.gz ZLAROEAQDNOENV-UHFFFAOYSA-N -1 3 265.353 3.000 20 0 CGADHM Cc1ccc([O-])c(CNc2ccc3ccoc3c2)n1 ZINC000442994320 373139907 /nfs/dbraw/zinc/13/99/07/373139907.db2.gz QYRLDNQTLIACHP-UHFFFAOYSA-N -1 3 254.289 3.454 20 0 CGADHM Cc1nc(CC(C)C)c(NC([O-])=NOC(C)C)s1 ZINC000296606829 373192495 /nfs/dbraw/zinc/19/24/95/373192495.db2.gz LMSDLJAOLNGUIB-UHFFFAOYSA-N -1 3 271.386 3.112 20 0 CGADHM Cc1nc(CC(C)C)c(NC(=O)[N-]OC(C)C)s1 ZINC000296606829 373192501 /nfs/dbraw/zinc/19/25/01/373192501.db2.gz LMSDLJAOLNGUIB-UHFFFAOYSA-N -1 3 271.386 3.112 20 0 CGADHM Cc1ccc([O-])c(C(=O)N(C)CCCc2ccccc2)c1 ZINC000298532110 373348897 /nfs/dbraw/zinc/34/88/97/373348897.db2.gz XNLMLIJPPOSRRQ-UHFFFAOYSA-N -1 3 283.371 3.405 20 0 CGADHM CCCCN(CC(F)(F)F)C(=O)c1ccccc1[O-] ZINC000298634357 373369313 /nfs/dbraw/zinc/36/93/13/373369313.db2.gz XNBNQKRWTPTJNC-UHFFFAOYSA-N -1 3 275.270 3.197 20 0 CGADHM COc1cc(C(=O)N[C@@H](C)CC2CCCCC2)ccc1[O-] ZINC000447316476 373422742 /nfs/dbraw/zinc/42/27/42/373422742.db2.gz YSYPDYFQZIXLHH-LBPRGKRZSA-N -1 3 291.391 3.490 20 0 CGADHM Cc1ccc(C(=O)N2CCS[C@@H]3CCCC[C@@H]32)c([O-])c1 ZINC000175403201 373463398 /nfs/dbraw/zinc/46/33/98/373463398.db2.gz PCUGBIZGXWQGOU-DZGCQCFKSA-N -1 3 291.416 3.201 20 0 CGADHM CCSCC[C@@H](C)N(C)C(=O)c1cccc(C)c1[O-] ZINC000175462395 373471239 /nfs/dbraw/zinc/47/12/39/373471239.db2.gz UBWVVJQJYUBWHX-GFCCVEGCSA-N -1 3 281.421 3.304 20 0 CGADHM C[C@@H]1CCCC[C@H]1CNC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000299228658 373486474 /nfs/dbraw/zinc/48/64/74/373486474.db2.gz QYPHMRRCWWBROF-OLZOCXBDSA-N -1 3 298.386 3.497 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)N[C@H](c1ccccc1)C1CC1 ZINC000448628310 373630837 /nfs/dbraw/zinc/63/08/37/373630837.db2.gz RMVCOXFMQYLEOU-GOSISDBHSA-N -1 3 299.345 3.341 20 0 CGADHM CCO[C@H]1CCN(Cc2cccc([O-])c2Cl)C[C@@H]1C ZINC000449492550 373785339 /nfs/dbraw/zinc/78/53/39/373785339.db2.gz CEYAVHYZMOZRSM-FZMZJTMJSA-N -1 3 283.799 3.293 20 0 CGADHM CC(C)C[C@@H]1OCCC[C@@H]1[N-]c1nc(C(C)C)no1 ZINC000302514928 373885957 /nfs/dbraw/zinc/88/59/57/373885957.db2.gz XXIVLZOSNQZWQU-RYUDHWBXSA-N -1 3 267.373 3.199 20 0 CGADHM CSc1ccc(C(=O)Nc2c(C)cccc2[O-])o1 ZINC000179562974 373887910 /nfs/dbraw/zinc/88/79/10/373887910.db2.gz CJSORIUJXOJPQS-UHFFFAOYSA-N -1 3 263.318 3.268 20 0 CGADHM Cc1ccc(OCC(=O)Nc2c(C)cccc2[O-])cc1 ZINC000179563695 373888122 /nfs/dbraw/zinc/88/81/22/373888122.db2.gz OQYXWXLQJXDXFU-UHFFFAOYSA-N -1 3 271.316 3.027 20 0 CGADHM O=C(CCOc1ccccc1F)Nc1cc(F)ccc1[O-] ZINC000179643920 373898914 /nfs/dbraw/zinc/89/89/14/373898914.db2.gz LNGWAIKLIDGOGU-UHFFFAOYSA-N -1 3 293.269 3.078 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)C2=CCCC2)c1[O-] ZINC000179804029 373919491 /nfs/dbraw/zinc/91/94/91/373919491.db2.gz CEJHNJQFYGLXBY-UHFFFAOYSA-N -1 3 251.713 3.403 20 0 CGADHM CCSCC[C@@H](C)N=c1[n-]c(C(C)=O)c(C)s1 ZINC000450360241 374079628 /nfs/dbraw/zinc/07/96/28/374079628.db2.gz KFCKYCVREIKIFT-MRVPVSSYSA-N -1 3 272.439 3.020 20 0 CGADHM CC(C)C[C@@H]1CCN(Cc2ccc(C(=O)[O-])cc2F)C1 ZINC000307804759 374152482 /nfs/dbraw/zinc/15/24/82/374152482.db2.gz DHHKTUXVSNPGCK-LBPRGKRZSA-N -1 3 279.355 3.392 20 0 CGADHM Cc1cc(CN2CC[C@@H](CC(C)C)C2)oc1C(=O)[O-] ZINC000307826690 374154858 /nfs/dbraw/zinc/15/48/58/374154858.db2.gz XEUDTMUTOOEQIC-LBPRGKRZSA-N -1 3 265.353 3.154 20 0 CGADHM C[C@H](CCC(=O)[O-])NCc1cc(Cl)ccc1Cl ZINC000309784211 374196401 /nfs/dbraw/zinc/19/64/01/374196401.db2.gz MDJPKAWSSOPKCR-MRVPVSSYSA-N -1 3 276.163 3.336 20 0 CGADHM COc1ccc([C@H]2CCN(C(=O)c3cccc([O-])c3)C2)cc1 ZINC000182277721 374249942 /nfs/dbraw/zinc/24/99/42/374249942.db2.gz YDNNAYKUWYJXGS-HNNXBMFYSA-N -1 3 297.354 3.031 20 0 CGADHM O=C(Cc1ccc([O-])cc1Cl)NCC1=CCCCC1 ZINC000452291541 374316212 /nfs/dbraw/zinc/31/62/12/374316212.db2.gz NTNDPDYDNLJQPT-UHFFFAOYSA-N -1 3 279.767 3.205 20 0 CGADHM COc1cccc(-c2nc([C@H]3Cc4ccccc43)no2)c1[O-] ZINC000316186822 374333062 /nfs/dbraw/zinc/33/30/62/374333062.db2.gz ZJGIPAHWACFOFB-ZDUSSCGKSA-N -1 3 294.310 3.139 20 0 CGADHM Cc1ccc(NC(=O)c2cccc3nn[n-]c32)cc1Cl ZINC000182690048 374315052 /nfs/dbraw/zinc/31/50/52/374315052.db2.gz FYTFWZKREQKHOT-UHFFFAOYSA-N -1 3 286.722 3.172 20 0 CGADHM Cc1ccc(NC(=O)c2cccc3[n-]nnc32)cc1Cl ZINC000182690048 374315059 /nfs/dbraw/zinc/31/50/59/374315059.db2.gz FYTFWZKREQKHOT-UHFFFAOYSA-N -1 3 286.722 3.172 20 0 CGADHM Cc1ccc(NC(=O)c2cccc3n[n-]nc32)cc1Cl ZINC000182690048 374315068 /nfs/dbraw/zinc/31/50/68/374315068.db2.gz FYTFWZKREQKHOT-UHFFFAOYSA-N -1 3 286.722 3.172 20 0 CGADHM Cc1cccc([O-])c1NC(=O)c1ccc(Cl)cn1 ZINC000183068275 374368298 /nfs/dbraw/zinc/36/82/98/374368298.db2.gz GVJGFTYVJMKRLS-UHFFFAOYSA-N -1 3 262.696 3.001 20 0 CGADHM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1ccoc1 ZINC000183380217 374408024 /nfs/dbraw/zinc/40/80/24/374408024.db2.gz NSFLWKXSGLYAPZ-UHFFFAOYSA-N -1 3 268.272 3.495 20 0 CGADHM O=C(Nc1ccc(Cl)c(F)c1)c1cccc2nn[n-]c21 ZINC000183421313 374411921 /nfs/dbraw/zinc/41/19/21/374411921.db2.gz ZRNPUMVTXRHOHO-UHFFFAOYSA-N -1 3 290.685 3.003 20 0 CGADHM O=C(Nc1ccc(Cl)c(F)c1)c1cccc2[n-]nnc21 ZINC000183421313 374411928 /nfs/dbraw/zinc/41/19/28/374411928.db2.gz ZRNPUMVTXRHOHO-UHFFFAOYSA-N -1 3 290.685 3.003 20 0 CGADHM O=C(Nc1ccc(Cl)c(F)c1)c1cccc2n[n-]nc21 ZINC000183421313 374411937 /nfs/dbraw/zinc/41/19/37/374411937.db2.gz ZRNPUMVTXRHOHO-UHFFFAOYSA-N -1 3 290.685 3.003 20 0 CGADHM C[C@@H](c1ccccc1F)N1CCC(C)(C(=O)[O-])CC1 ZINC000086777008 541941194 /nfs/dbraw/zinc/94/11/94/541941194.db2.gz JGAGRHRRKAUZCN-NSHDSACASA-N -1 3 265.328 3.073 20 0 CGADHM COc1ccc(C)cc1NCc1cc([O-])cc(F)c1 ZINC000184131727 374495459 /nfs/dbraw/zinc/49/54/59/374495459.db2.gz SKBDPYVPILZQQA-UHFFFAOYSA-N -1 3 261.296 3.460 20 0 CGADHM Cc1cc(C)c(CS(=O)(=O)c2cccc([O-])c2)c(C)c1 ZINC000183993161 374479275 /nfs/dbraw/zinc/47/92/75/374479275.db2.gz IDQJXTKOCPUDMF-UHFFFAOYSA-N -1 3 290.384 3.291 20 0 CGADHM C[C@H]1CCCC[C@@H]1OCC(=O)Nc1cc(F)ccc1[O-] ZINC000330487586 374472818 /nfs/dbraw/zinc/47/28/18/374472818.db2.gz GVFZKMZJZKYTET-HZMBPMFUSA-N -1 3 281.327 3.065 20 0 CGADHM Cc1cc(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])no1 ZINC000331228479 374513946 /nfs/dbraw/zinc/51/39/46/374513946.db2.gz FGLQHNVAHLYMBN-UHFFFAOYSA-N -1 3 274.320 3.238 20 0 CGADHM Cc1ccnc(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])n1 ZINC000331241799 374516175 /nfs/dbraw/zinc/51/61/75/374516175.db2.gz QNCAHKNPQAMGGA-UHFFFAOYSA-N -1 3 285.347 3.040 20 0 CGADHM NC(=O)CC[C@H]1CCCN(Cc2c(F)ccc([O-])c2F)C1 ZINC000331229990 374516913 /nfs/dbraw/zinc/51/69/13/374516913.db2.gz CQGBRSMNORGPEZ-SNVBAGLBSA-N -1 3 298.333 3.198 20 0 CGADHM Cc1ccc(NC(=O)[C@H](C)OCc2ccccc2)c([O-])c1 ZINC000184608001 374541509 /nfs/dbraw/zinc/54/15/09/374541509.db2.gz RCILFBPUHBKYFH-ZDUSSCGKSA-N -1 3 285.343 3.244 20 0 CGADHM O=S(=O)(Cc1ccc(C(F)F)cc1)c1cccc([O-])c1 ZINC000185496683 374674998 /nfs/dbraw/zinc/67/49/98/374674998.db2.gz HISYKMZNKYLKSH-UHFFFAOYSA-N -1 3 298.310 3.304 20 0 CGADHM [O-]c1cc(F)cc(CN[C@H](CCCO)c2ccccc2)c1 ZINC000185550986 374686403 /nfs/dbraw/zinc/68/64/03/374686403.db2.gz CQOQFYJYQALGCF-QGZVFWFLSA-N -1 3 289.350 3.135 20 0 CGADHM O=C(c1ccc(O)cc1[O-])N1CCC[C@H]1c1ccccc1 ZINC000034777364 296222302 /nfs/dbraw/zinc/22/23/02/296222302.db2.gz GYPWCDPKRQPQFU-HNNXBMFYSA-N -1 3 283.327 3.075 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)Sc2cccc(O)c2)n1 ZINC000185685179 374713721 /nfs/dbraw/zinc/71/37/21/374713721.db2.gz KILOKTABBLVODJ-SECBINFHSA-N -1 3 262.334 3.050 20 0 CGADHM COCCN(Cc1ccccc1)Cc1cc([O-])cc(F)c1 ZINC000186158659 374806022 /nfs/dbraw/zinc/80/60/22/374806022.db2.gz CEHHCHPECBDMAS-UHFFFAOYSA-N -1 3 289.350 3.180 20 0 CGADHM Cn1cccc1[C@H]1CCCN1Cc1cc([O-])cc(F)c1 ZINC000186163685 374806849 /nfs/dbraw/zinc/80/68/49/374806849.db2.gz VAQJXUYDWBLZCW-MRXNPFEDSA-N -1 3 274.339 3.207 20 0 CGADHM CCC[C@H](NC(=O)Cc1ccc([O-])c(F)c1)C1CCC1 ZINC000458323414 374765217 /nfs/dbraw/zinc/76/52/17/374765217.db2.gz XBVSUZDPEIPVBQ-AWEZNQCLSA-N -1 3 279.355 3.159 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2[C@H](C)CCC[C@@H]2C)c1 ZINC000094106937 541984707 /nfs/dbraw/zinc/98/47/07/541984707.db2.gz OEISGQYMEOVHPW-TXEJJXNPSA-N -1 3 261.365 3.358 20 0 CGADHM Cc1ccc(NC(=O)CC2CC(F)(F)C2)c([O-])c1 ZINC000334576295 374875940 /nfs/dbraw/zinc/87/59/40/374875940.db2.gz JMOYZNUFSPJUGG-UHFFFAOYSA-N -1 3 255.264 3.075 20 0 CGADHM C[C@@H]1CCC[C@H](CCSc2nc3nncc-3c(O)[n-]2)C1 ZINC000464772211 374896746 /nfs/dbraw/zinc/89/67/46/374896746.db2.gz GOKKFODIXBCNGJ-NXEZZACHSA-N -1 3 292.408 3.367 20 0 CGADHM CC(C)(C)c1cnc(CCC(=O)Nc2ccccc2[O-])o1 ZINC000186811772 374921375 /nfs/dbraw/zinc/92/13/75/374921375.db2.gz HFSVDFANQVLVMC-UHFFFAOYSA-N -1 3 288.347 3.249 20 0 CGADHM C[C@H](C(=O)Nc1ncccc1[O-])c1cn(C)c2ccccc12 ZINC000186822099 374924001 /nfs/dbraw/zinc/92/40/01/374924001.db2.gz HJTFCWJPHNGBLY-NSHDSACASA-N -1 3 295.342 3.021 20 0 CGADHM Cc1c([O-])ccc2c(CN3CCCC4(CC4)C3)cc(=O)oc12 ZINC000186956415 374945492 /nfs/dbraw/zinc/94/54/92/374945492.db2.gz WXBKHUCNKAWVOT-UHFFFAOYSA-N -1 3 299.370 3.183 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)N1CC[C@@H](c2ccccc2)C1 ZINC000334729260 375011731 /nfs/dbraw/zinc/01/17/31/375011731.db2.gz ZQOFANRGQPOUFD-OAHLLOKOSA-N -1 3 299.345 3.090 20 0 CGADHM CCC1([N-]S(=O)(=O)c2cc(C)c(Cl)s2)CCC1 ZINC000473860380 375064064 /nfs/dbraw/zinc/06/40/64/375064064.db2.gz YHBLQYNDOZAOML-UHFFFAOYSA-N -1 3 293.841 3.321 20 0 CGADHM CN(Cc1nc(=O)c2sccc2[n-]1)C1CC(C)(C)C1 ZINC000335148557 375175311 /nfs/dbraw/zinc/17/53/11/375175311.db2.gz OMKAHJCWULHGDV-UHFFFAOYSA-N -1 3 277.393 3.017 20 0 CGADHM CCc1cc(C(=O)Nc2cnn([C@@H](C)C3CC3)c2)ccc1[O-] ZINC000487460294 375243155 /nfs/dbraw/zinc/24/31/55/375243155.db2.gz JNCPJBOYMFFGRP-NSHDSACASA-N -1 3 299.374 3.374 20 0 CGADHM [O-]c1cccc(CN[C@H]2CC[C@@H](F)C2)c1Br ZINC000335168203 375194748 /nfs/dbraw/zinc/19/47/48/375194748.db2.gz HJBIJCNFJQEKPV-ZJUUUORDSA-N -1 3 288.160 3.135 20 0 CGADHM CCc1cc(C(=O)N2CCc3cc(C)ccc3C2)ccc1[O-] ZINC000487309758 375225044 /nfs/dbraw/zinc/22/50/44/375225044.db2.gz LSXCYAPQDYRAJC-UHFFFAOYSA-N -1 3 295.382 3.462 20 0 CGADHM Cc1cc(CN2CC[C@H](C)[C@H](C(=O)[O-])C2)ccc1Cl ZINC000335444711 375297956 /nfs/dbraw/zinc/29/79/56/375297956.db2.gz SFCJIJMKAIDOTJ-GXFFZTMASA-N -1 3 281.783 3.191 20 0 CGADHM O=C(Nc1ccc([O-])cc1F)[C@@H]1CCCCC1(F)F ZINC000335450083 375303257 /nfs/dbraw/zinc/30/32/57/375303257.db2.gz UJOCUFUUTHYEQA-VIFPVBQESA-N -1 3 273.254 3.295 20 0 CGADHM CCc1nc(C(=O)N2CC[C@H](C)c3cccc([O-])c32)co1 ZINC000335281047 375258483 /nfs/dbraw/zinc/25/84/83/375258483.db2.gz VBADIMWAJQOXOV-JTQLQIEISA-N -1 3 286.331 3.097 20 0 CGADHM CCc1cc(C(=O)N(C)[C@@H]2CC[C@H](C)C2)ccc1[O-] ZINC000487653173 375264654 /nfs/dbraw/zinc/26/46/54/375264654.db2.gz KEANHUBWUWPOJI-SMDDNHRTSA-N -1 3 261.365 3.215 20 0 CGADHM COc1cc(NC(=O)/C=C/c2cncc([O-])c2)c(C)cc1C ZINC000492031104 375397464 /nfs/dbraw/zinc/39/74/64/375397464.db2.gz LORRRXZCFRPRON-SNAWJCMRSA-N -1 3 298.342 3.065 20 0 CGADHM O=c1[n-]c(CSCc2ccccc2)nc2cccnc21 ZINC000491719601 375341717 /nfs/dbraw/zinc/34/17/17/375341717.db2.gz JDOYHIWJIZWWAM-UHFFFAOYSA-N -1 3 283.356 3.164 20 0 CGADHM CCc1noc(C)c1NC(=O)c1ccc(C)c(C)c1[O-] ZINC000335705820 375361480 /nfs/dbraw/zinc/36/14/80/375361480.db2.gz AXLDQEMUEVLDCQ-UHFFFAOYSA-N -1 3 274.320 3.120 20 0 CGADHM COc1cc(NC(=O)c2cccc([O-])c2)c(C)cc1C ZINC000335709803 375366071 /nfs/dbraw/zinc/36/60/71/375366071.db2.gz NNKKXPQEMCVUMB-UHFFFAOYSA-N -1 3 271.316 3.270 20 0 CGADHM CC1(C)CN(C(=O)c2csc(=O)[n-]2)[C@@H]1c1cccs1 ZINC000335820829 375458483 /nfs/dbraw/zinc/45/84/83/375458483.db2.gz SGTZJVZGQYYPTB-SNVBAGLBSA-N -1 3 294.401 3.134 20 0 CGADHM CCc1ccc(C(=O)N2CCC[C@@H]2c2cccnc2)c([O-])c1 ZINC000335784644 375428230 /nfs/dbraw/zinc/42/82/30/375428230.db2.gz DNCABYVAMJWWKF-MRXNPFEDSA-N -1 3 296.370 3.327 20 0 CGADHM O=C(NC1(C(F)(F)F)CCC1)c1cc([O-])ccc1Cl ZINC000335794027 375436998 /nfs/dbraw/zinc/43/69/98/375436998.db2.gz WOHALZSRHZLUSY-UHFFFAOYSA-N -1 3 293.672 3.260 20 0 CGADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCC2(CCC2)C1 ZINC000345773000 217696759 /nfs/dbraw/zinc/69/67/59/217696759.db2.gz KKAIEVCGNNMPTD-UHFFFAOYSA-N -1 3 291.366 3.257 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)c2cncs2)c1[O-] ZINC000335862039 375492672 /nfs/dbraw/zinc/49/26/72/375492672.db2.gz ZFEHYJPDBWKZDE-UHFFFAOYSA-N -1 3 268.725 3.063 20 0 CGADHM C[C@@H](C(=O)Nc1ccc(Cl)cc1[O-])c1cccnc1 ZINC000335977881 375586100 /nfs/dbraw/zinc/58/61/00/375586100.db2.gz IKFVABQVCXPJPR-SECBINFHSA-N -1 3 276.723 3.183 20 0 CGADHM Cc1ccc(CC[S@@](=O)c2cccc([O-])c2)cc1 ZINC000191200247 375594259 /nfs/dbraw/zinc/59/42/59/375594259.db2.gz ZVYRZUSUQOBTDU-GOSISDBHSA-N -1 3 260.358 3.051 20 0 CGADHM Cc1cccc([O-])c1NC(=O)C1=Cc2ccccc2OC1 ZINC000335947531 375562569 /nfs/dbraw/zinc/56/25/69/375562569.db2.gz WMUQTOODKZIMGR-UHFFFAOYSA-N -1 3 281.311 3.115 20 0 CGADHM CCc1ccc(C(=O)N2[C@@H](C)CCC[C@@H]2C)c([O-])c1 ZINC000191071988 375570672 /nfs/dbraw/zinc/57/06/72/375570672.db2.gz RVBKZXFHUMEWPX-RYUDHWBXSA-N -1 3 261.365 3.358 20 0 CGADHM O=C([N-]c1ccc(F)c(F)c1F)c1ncc(F)cc1F ZINC000192044477 375692198 /nfs/dbraw/zinc/69/21/98/375692198.db2.gz LIZKLUNEMJETFI-UHFFFAOYSA-N -1 3 288.175 3.029 20 0 CGADHM CC(C)Cc1nnc([N-]C(=O)c2ccoc2Cl)s1 ZINC000192255808 375721113 /nfs/dbraw/zinc/72/11/13/375721113.db2.gz CLDYCMFKTABMID-UHFFFAOYSA-N -1 3 285.756 3.235 20 0 CGADHM CC(=O)Nc1cc(NC(=O)c2ccc([O-])c(C)c2)ccc1C ZINC000336534496 375812939 /nfs/dbraw/zinc/81/29/39/375812939.db2.gz OSGQOKPJGMOOID-UHFFFAOYSA-N -1 3 298.342 3.220 20 0 CGADHM CCN(Cc1ccoc1)C(=O)c1ccc(C)c(C)c1[O-] ZINC000130929174 542066570 /nfs/dbraw/zinc/06/65/70/542066570.db2.gz BCBYWQLCOKTWPG-UHFFFAOYSA-N -1 3 273.332 3.264 20 0 CGADHM O=C(Nc1ccccc1[O-])c1cccc([C@@H]2CCOC2)c1 ZINC000336632029 375891923 /nfs/dbraw/zinc/89/19/23/375891923.db2.gz AGPWQQADYLXMCN-CQSZACIVSA-N -1 3 283.327 3.148 20 0 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Cc1ccc(CCC(=O)Nc2ccc([O-])cc2F)s1 ZINC000355675632 380747462 /nfs/dbraw/zinc/74/74/62/380747462.db2.gz SWPIAAJYQMHYDZ-UHFFFAOYSA-N -1 3 279.336 3.473 20 0 CGADHM [O-]c1cccc(CN2CCC[C@H](c3cc[nH]n3)C2)c1Cl ZINC000646063755 380817151 /nfs/dbraw/zinc/81/71/51/380817151.db2.gz GRWKIELZWYEFGD-NSHDSACASA-N -1 3 291.782 3.148 20 0 CGADHM O=C(NC12CCC(CC1)CC2)c1cc([O-])ccc1Cl ZINC000334759701 207029143 /nfs/dbraw/zinc/02/91/43/207029143.db2.gz XGGZYCNEZAVTMT-UHFFFAOYSA-N -1 3 279.767 3.498 20 0 CGADHM COc1cc(CC(=O)Nc2c(C)cccc2[O-])ccc1C ZINC000357090135 381024136 /nfs/dbraw/zinc/02/41/36/381024136.db2.gz VASWPYHCSZDRKG-UHFFFAOYSA-N -1 3 285.343 3.199 20 0 CGADHM C[C@@H](CNC(=O)c1cccc([O-])c1)c1ccc(F)cc1 ZINC000357345737 381118075 /nfs/dbraw/zinc/11/80/75/381118075.db2.gz KSMSGZPRYFQVQO-NSHDSACASA-N -1 3 273.307 3.065 20 0 CGADHM Cc1ccc(F)c([N-]S(=O)(=O)CCc2cccs2)c1 ZINC000357496147 381182944 /nfs/dbraw/zinc/18/29/44/381182944.db2.gz PEVOBISGJPQPDF-UHFFFAOYSA-N -1 3 299.392 3.180 20 0 CGADHM COc1cccc(F)c1C(=O)[N-]c1nnc(C(C)C)s1 ZINC000360240162 381494455 /nfs/dbraw/zinc/49/44/55/381494455.db2.gz TVGKABIQLCHVCE-UHFFFAOYSA-N -1 3 295.339 3.062 20 0 CGADHM O=C(OCc1c(Cl)cccc1Cl)c1cncc([O-])c1 ZINC000732391525 572462182 /nfs/dbraw/zinc/46/21/82/572462182.db2.gz JGMORIMGJQNBSU-UHFFFAOYSA-N -1 3 298.125 3.451 20 0 CGADHM O=C(c1cccc([O-])c1)N1CC[C@@H](c2cccc(F)c2)C1 ZINC000334929603 207309933 /nfs/dbraw/zinc/30/99/33/207309933.db2.gz APSJMBIDZTXDOX-CQSZACIVSA-N -1 3 285.318 3.161 20 0 CGADHM COc1ccccc1[C@H](NCc1ccc(C)c(C)c1)C(=O)[O-] ZINC000426818649 533019783 /nfs/dbraw/zinc/01/97/83/533019783.db2.gz SJIOBWNGVBOHOG-KRWDZBQOSA-N -1 3 299.370 3.228 20 0 CGADHM COc1cc(F)ccc1[N-]S(=O)(=O)C1=CCCCC1 ZINC000281097231 195103154 /nfs/dbraw/zinc/10/31/54/195103154.db2.gz FNGLSNUPEKANIL-UHFFFAOYSA-N -1 3 285.340 3.034 20 0 CGADHM C[C@H]1CCCC[C@@H]1OCc1nc2ccc([O-])cc2c(=O)[nH]1 ZINC000272272996 542366526 /nfs/dbraw/zinc/36/65/26/542366526.db2.gz YQBOJZRMOSBGFG-HZMBPMFUSA-N -1 3 288.347 3.136 20 0 CGADHM CC(C)(C)c1noc(C(=O)[N-]c2ccc(Cl)c(F)c2)n1 ZINC000353756261 220309349 /nfs/dbraw/zinc/30/93/49/220309349.db2.gz SDLRTLTYSCNVOE-UHFFFAOYSA-N -1 3 297.717 3.412 20 0 CGADHM CC(C)OCCCNC(=O)c1cc([O-])c2ccccc2c1 ZINC000279325153 542378834 /nfs/dbraw/zinc/37/88/34/542378834.db2.gz AJIBFUGZHUVEIE-UHFFFAOYSA-N -1 3 287.359 3.090 20 0 CGADHM O=C([O-])c1cccc(CN2CCS[C@@H]3CCCC[C@@H]32)c1 ZINC000263508476 304260146 /nfs/dbraw/zinc/26/01/46/304260146.db2.gz XYCVREGUOIRHDZ-LSDHHAIUSA-N -1 3 291.416 3.245 20 0 CGADHM Cc1cc(C)cc(OCC(=O)Nc2c(C)cccc2[O-])c1 ZINC000539815258 288631252 /nfs/dbraw/zinc/63/12/52/288631252.db2.gz NOCPDGIMXGGCOD-UHFFFAOYSA-N -1 3 285.343 3.335 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)C[C@@H]2CCC(=O)[C@@H]2C)c1[O-] ZINC000281283169 195180200 /nfs/dbraw/zinc/18/02/00/195180200.db2.gz SCKXXMHOVHRGDU-ZJUUUORDSA-N -1 3 295.766 3.298 20 0 CGADHM COc1ccc([O-])c(-c2nc([C@@H]3CCC(F)(F)C3)no2)c1 ZINC000281355609 195209100 /nfs/dbraw/zinc/20/91/00/195209100.db2.gz KXVSTSGKONXWQF-MRVPVSSYSA-N -1 3 296.273 3.354 20 0 CGADHM COc1ccc(NC(=O)c2nc(C(C)C)oc2C)c([O-])c1 ZINC000355003292 542564893 /nfs/dbraw/zinc/56/48/93/542564893.db2.gz SLTMLWMYXMIXTO-UHFFFAOYSA-N -1 3 290.319 3.073 20 0 CGADHM O=C(NCC1(C2CC2)CC1)c1cc([O-])c2ccccc2c1 ZINC000355349547 542566488 /nfs/dbraw/zinc/56/64/88/542566488.db2.gz BAOJOAQCAZYJML-UHFFFAOYSA-N -1 3 281.355 3.465 20 0 CGADHM CO[C@H]1CCC[C@H]1CNC(=O)c1cc([O-])c2ccccc2c1 ZINC000355448315 542566913 /nfs/dbraw/zinc/56/69/13/542566913.db2.gz BYAZREMPCHTTFJ-GUYCJALGSA-N -1 3 299.370 3.090 20 0 CGADHM Cc1cccc([O-])c1NC(=O)/C=C/c1ccc(F)cc1 ZINC000179563533 260055408 /nfs/dbraw/zinc/05/54/08/260055408.db2.gz ZJMDVXBZSSAWGG-JXMROGBWSA-N -1 3 271.291 3.492 20 0 CGADHM CSCCCN(C)C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000281720802 195351324 /nfs/dbraw/zinc/35/13/24/195351324.db2.gz RLBKOXLMONCIHA-UHFFFAOYSA-N -1 3 293.432 3.096 20 0 CGADHM [O-]c1ccc(-c2noc([C@@H]3CCOc4ccccc43)n2)cc1 ZINC000315010562 285383378 /nfs/dbraw/zinc/38/33/78/285383378.db2.gz FXZJQZARGLUTAJ-CQSZACIVSA-N -1 3 294.310 3.357 20 0 CGADHM O=c1ccnc(C=Cc2ccc(Br)cc2F)[n-]1 ZINC000742220171 572558865 /nfs/dbraw/zinc/55/88/65/572558865.db2.gz JXSMWSUPKPTXGN-DUXPYHPUSA-N -1 3 295.111 3.254 20 0 CGADHM COc1ccc(C(=O)N2CCC[C@H]2CCC(C)C)c([O-])c1 ZINC000436606309 533299946 /nfs/dbraw/zinc/29/99/46/533299946.db2.gz QLAMPFVRFWOLNW-ZDUSSCGKSA-N -1 3 291.391 3.442 20 0 CGADHM COc1ccc(C(=O)N[C@@H]2CC[C@H]3CCC[C@@H]3C2)c([O-])c1 ZINC000436590114 533341175 /nfs/dbraw/zinc/34/11/75/533341175.db2.gz RGYMYDNCWFSAEE-JHJVBQTASA-N -1 3 289.375 3.099 20 0 CGADHM COc1cccc(-c2nc([C@@H]3CCCS3)no2)c1[O-] ZINC000161648652 533375629 /nfs/dbraw/zinc/37/56/29/533375629.db2.gz DGTXYQBCTGVHRD-JTQLQIEISA-N -1 3 278.333 3.019 20 0 CGADHM C[C@@H](CC1CC1)NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436970164 533504794 /nfs/dbraw/zinc/50/47/94/533504794.db2.gz CCNVWSGVGJARPR-JTQLQIEISA-N -1 3 289.375 3.024 20 0 CGADHM COc1cc(C(=O)NCC2(C)CCC(C)CC2)ccc1[O-] ZINC000357386769 533530730 /nfs/dbraw/zinc/53/07/30/533530730.db2.gz VYRMGVJFXVQCFP-UHFFFAOYSA-N -1 3 291.391 3.347 20 0 CGADHM COc1ccc(NC(=O)CC(C)(C)C(F)(F)F)c([O-])c1 ZINC000360276309 542582180 /nfs/dbraw/zinc/58/21/80/542582180.db2.gz WKRRFVWZUIFWLM-UHFFFAOYSA-N -1 3 291.269 3.318 20 0 CGADHM Cc1cc(CN2CCC(CCC(=O)[O-])CC2)cs1 ZINC000385068085 542602010 /nfs/dbraw/zinc/60/20/10/542602010.db2.gz HSJDAPOGYSJRAZ-UHFFFAOYSA-N -1 3 267.394 3.133 20 0 CGADHM CC(C)(CCN1Cc2ccccc2[C@H](C(=O)[O-])C1)C1CC1 ZINC000406073757 542627134 /nfs/dbraw/zinc/62/71/34/542627134.db2.gz SYXYJWGOZCFCDQ-MRXNPFEDSA-N -1 3 287.403 3.497 20 0 CGADHM COc1cccc(C(=O)N(C)c2cc(C)cc(C)c2)c1[O-] ZINC000048443133 392000101 /nfs/dbraw/zinc/00/01/01/392000101.db2.gz YYERFEBYGCDWAG-UHFFFAOYSA-N -1 3 285.343 3.294 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2ccccc2CN(C)C)c1 ZINC000024812760 391947605 /nfs/dbraw/zinc/94/76/05/391947605.db2.gz XADRPMNMCPNZOA-UHFFFAOYSA-N -1 3 284.359 3.015 20 0 CGADHM CCc1ccccc1NC(=O)c1cc(-c2ccco2)[n-]n1 ZINC000030605744 391961485 /nfs/dbraw/zinc/96/14/85/391961485.db2.gz UTQLPQLCDLOGAK-UHFFFAOYSA-N -1 3 281.315 3.484 20 0 CGADHM CCc1ccccc1NC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000030605744 391961491 /nfs/dbraw/zinc/96/14/91/391961491.db2.gz UTQLPQLCDLOGAK-UHFFFAOYSA-N -1 3 281.315 3.484 20 0 CGADHM COc1ccc([O-])c(C(=O)Nc2ccc(C)c(C)c2)c1 ZINC000049956746 392060726 /nfs/dbraw/zinc/06/07/26/392060726.db2.gz GZSHLBLSJABGTG-UHFFFAOYSA-N -1 3 271.316 3.270 20 0 CGADHM CCN(C(=O)c1cc(OC)ccc1[O-])c1cccc(C)c1 ZINC000055463818 392098977 /nfs/dbraw/zinc/09/89/77/392098977.db2.gz AQNDVXPOEWPUNN-UHFFFAOYSA-N -1 3 285.343 3.376 20 0 CGADHM O=C(Nc1ccc(Cl)c(F)c1)c1ccc2n[n-]nc2c1 ZINC000058371276 392114137 /nfs/dbraw/zinc/11/41/37/392114137.db2.gz QTDSPGLYLXSEDW-UHFFFAOYSA-N -1 3 290.685 3.003 20 0 CGADHM CCn1c(C(=O)Nc2ncccc2[O-])cc2ccccc21 ZINC000072003418 392194711 /nfs/dbraw/zinc/19/47/11/392194711.db2.gz IQHDPLYXGONGFC-UHFFFAOYSA-N -1 3 281.315 3.014 20 0 CGADHM COc1ccc(NC(=O)[C@@]2(C)CCC[C@@H]2C)c([O-])c1 ZINC000451247490 542674885 /nfs/dbraw/zinc/67/48/85/542674885.db2.gz MLJGCBDYCOCOOZ-BONVTDFDSA-N -1 3 263.337 3.166 20 0 CGADHM O=c1[nH]c(SCc2ccccc2)nc2ccc([O-])cc12 ZINC000447120452 542669907 /nfs/dbraw/zinc/66/99/07/542669907.db2.gz GXMBLDRDJQKKHS-UHFFFAOYSA-N -1 3 284.340 3.333 20 0 CGADHM CCC(CC)[C@H](C)C(=O)NCc1ccc([O-])c(F)c1 ZINC000534184432 288404379 /nfs/dbraw/zinc/40/43/79/288404379.db2.gz GXBYNWPSVIOCHZ-JTQLQIEISA-N -1 3 267.344 3.220 20 0 CGADHM CCN(C(=O)c1ccc([O-])c(C)c1)[C@H]1CCOC(C)(C)C1 ZINC000291800357 392485628 /nfs/dbraw/zinc/48/56/28/392485628.db2.gz ACCUDESYLGRSNI-AWEZNQCLSA-N -1 3 291.391 3.120 20 0 CGADHM CCn1cc(NC(=O)c2cc([O-])c3ccccc3c2)cn1 ZINC000471749000 542701860 /nfs/dbraw/zinc/70/18/60/542701860.db2.gz KJPXLAZFHWBDAA-UHFFFAOYSA-N -1 3 281.315 3.014 20 0 CGADHM Cc1cccc(C(=O)NCCSc2ccccc2)c1[O-] ZINC000302636498 392617707 /nfs/dbraw/zinc/61/77/07/392617707.db2.gz KBAIYUWUPNWKAJ-UHFFFAOYSA-N -1 3 287.384 3.223 20 0 CGADHM CC[C@@H](CC(F)F)C(=O)Nc1c(C)cccc1[O-] ZINC000457708924 392743062 /nfs/dbraw/zinc/74/30/62/392743062.db2.gz MLHMVHMURZTTOC-VIFPVBQESA-N -1 3 257.280 3.321 20 0 CGADHM CCCC[C@H]1CCC[C@@H]1NC(=O)c1cccc([O-])c1 ZINC000509336613 392744660 /nfs/dbraw/zinc/74/46/60/392744660.db2.gz FJUBBNXOVTXQFL-WFASDCNBSA-N -1 3 261.365 3.481 20 0 CGADHM O=C([N-]c1nc2ccccc2s1)c1ncc(F)cc1F ZINC000192040591 392837966 /nfs/dbraw/zinc/83/79/66/392837966.db2.gz WDAMVWUTQGKBJB-UHFFFAOYSA-N -1 3 291.282 3.222 20 0 CGADHM C[C@@H]1CCN(C(=O)C2CCCC2)c2c([O-])cccc21 ZINC000186264010 392780229 /nfs/dbraw/zinc/78/02/29/392780229.db2.gz QPBWEGPDXOLDLT-LLVKDONJSA-N -1 3 259.349 3.423 20 0 CGADHM [O-]c1c(-c2nc(-c3cncs3)no2)ccc2c1CCCC2 ZINC000520331300 392919151 /nfs/dbraw/zinc/91/91/51/392919151.db2.gz VIBHPXBUQBYINE-UHFFFAOYSA-N -1 3 299.355 3.445 20 0 CGADHM COc1ccc(C(=O)N(C)[C@H](C)c2ccccc2)c([O-])c1 ZINC000194103623 392901558 /nfs/dbraw/zinc/90/15/58/392901558.db2.gz UIDKQKHXSVYQOH-GFCCVEGCSA-N -1 3 285.343 3.234 20 0 CGADHM Cc1ccc2nccc(N3CCC[C@H](CC(=O)[O-])C3)c2c1 ZINC000517897465 392869420 /nfs/dbraw/zinc/86/94/20/392869420.db2.gz QWOLIZUDWXJWIM-CYBMUJFWSA-N -1 3 284.359 3.234 20 0 CGADHM CO[C@@H](C)c1nsc(Sc2ccccc2[O-])n1 ZINC000383077827 392922130 /nfs/dbraw/zinc/92/21/30/392922130.db2.gz SFFJSTOFAVOTGO-ZETCQYMHSA-N -1 3 268.363 3.102 20 0 CGADHM O=c1[n-]c(Cc2cccc3ccccc32)nc2cccnc21 ZINC000491589547 542717813 /nfs/dbraw/zinc/71/78/13/542717813.db2.gz RRNWYXXZMWXZIQ-UHFFFAOYSA-N -1 3 287.322 3.474 20 0 CGADHM CCCn1c(=O)[n-]nc1SCCCC1CCCC1 ZINC000468080936 393120801 /nfs/dbraw/zinc/12/08/01/393120801.db2.gz ROYXILWTGAEWMR-UHFFFAOYSA-N -1 3 269.414 3.456 20 0 CGADHM [O-]c1cccnc1CNCc1ncc(-c2ccccc2)s1 ZINC000355289057 393293452 /nfs/dbraw/zinc/29/34/52/393293452.db2.gz XTHURGZTMRKQAA-UHFFFAOYSA-N -1 3 297.383 3.201 20 0 CGADHM [O-]c1cccnc1CNCc1cnc(C2CCCC2)s1 ZINC000355294223 393297191 /nfs/dbraw/zinc/29/71/91/393297191.db2.gz SHOKUBFZGLZMGU-UHFFFAOYSA-N -1 3 289.404 3.191 20 0 CGADHM Cc1c(F)cccc1NC(=O)c1c[n-]nc1-c1ccncc1 ZINC000471773309 393302188 /nfs/dbraw/zinc/30/21/88/393302188.db2.gz QHWQULBOAIIXFW-UHFFFAOYSA-N -1 3 296.305 3.172 20 0 CGADHM Cc1c(F)cccc1NC(=O)c1cn[n-]c1-c1ccncc1 ZINC000471773309 393302196 /nfs/dbraw/zinc/30/21/96/393302196.db2.gz QHWQULBOAIIXFW-UHFFFAOYSA-N -1 3 296.305 3.172 20 0 CGADHM O=C(Nc1nccs1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000646568965 393303059 /nfs/dbraw/zinc/30/30/59/393303059.db2.gz GUZVIQPQPZEAID-UHFFFAOYSA-N -1 3 288.250 3.120 20 0 CGADHM CN(CCCOCc1ccccc1)C(=O)c1ccccc1[O-] ZINC000281513340 393351009 /nfs/dbraw/zinc/35/10/09/393351009.db2.gz KRGQDZIGDWRWBL-UHFFFAOYSA-N -1 3 299.370 3.071 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@@H]1CCC[C@@H](C)C1 ZINC000649231475 393379151 /nfs/dbraw/zinc/37/91/51/393379151.db2.gz XDNLRYGOJANCQQ-ZYHUDNBSSA-N -1 3 263.385 3.028 20 0 CGADHM O=C([O-])Cc1ccccc1CNCc1cccc2c1CCC2 ZINC000649505170 393460086 /nfs/dbraw/zinc/46/00/86/393460086.db2.gz YWXIWDPBBHMSMK-UHFFFAOYSA-N -1 3 295.382 3.092 20 0 CGADHM C[C@H](C(=O)[O-])C1(NCc2c(Cl)oc3ccccc32)CC1 ZINC000649510247 393463478 /nfs/dbraw/zinc/46/34/78/393463478.db2.gz WTUFHMCBIDRJAU-SECBINFHSA-N -1 3 293.750 3.429 20 0 CGADHM CC(C)(C)O[C@H]1C[C@@H](NCc2cccc([O-])c2Cl)C1 ZINC000647247816 393411380 /nfs/dbraw/zinc/41/13/80/393411380.db2.gz BGQIVCKHGXOZNO-TXEJJXNPSA-N -1 3 283.799 3.481 20 0 CGADHM C[C@H](F)CCNC(=O)c1cc([O-])c2ccccc2c1 ZINC000356655269 393501203 /nfs/dbraw/zinc/50/12/03/393501203.db2.gz QNRDLNLBVICLDA-JTQLQIEISA-N -1 3 261.296 3.023 20 0 CGADHM CC[C@H]1C[C@@H](CC(=O)Nc2ccc([O-])cc2F)CCO1 ZINC000360853928 393599242 /nfs/dbraw/zinc/59/92/42/393599242.db2.gz SNQIEFGVNOWTND-JQWIXIFHSA-N -1 3 281.327 3.065 20 0 CGADHM CC[C@H](C)C[C@H](C)[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000360875575 393603694 /nfs/dbraw/zinc/60/36/94/393603694.db2.gz FXPYMPHKGLHPKV-UWVGGRQHSA-N -1 3 291.363 3.068 20 0 CGADHM CC[C@@H](C)C[C@H](C)[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000360887231 393607195 /nfs/dbraw/zinc/60/71/95/393607195.db2.gz IMKJUAGHRPEBNM-ZJUUUORDSA-N -1 3 291.363 3.068 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N2CCC[C@@H](c3ccccc3)C2)n1 ZINC000433074931 393682796 /nfs/dbraw/zinc/68/27/96/393682796.db2.gz XAYVMJIHMAMXAO-GOEBONIOSA-N -1 3 297.402 3.431 20 0 CGADHM CCN(Cc1ccc(C)cc1)C(=O)/C=C/c1cncc([O-])c1 ZINC000492518185 393747424 /nfs/dbraw/zinc/74/74/24/393747424.db2.gz GFJKQWCWZXGTJM-CMDGGOBGSA-N -1 3 296.370 3.158 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)/C=C\C2CC2)c1[O-] ZINC000492303355 393717251 /nfs/dbraw/zinc/71/72/51/393717251.db2.gz DWESGFCSUUENNZ-PLNGDYQASA-N -1 3 251.713 3.259 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CCCC3(CCCC3)C2)c1 ZINC000438564411 393724534 /nfs/dbraw/zinc/72/45/34/393724534.db2.gz YZTDXECYKQQVHS-UHFFFAOYSA-N -1 3 273.376 3.497 20 0 CGADHM Cc1cc(C(=O)N[C@H]2C[C@H]2C2CCCCC2)ccc1[O-] ZINC000499842493 393810129 /nfs/dbraw/zinc/81/01/29/393810129.db2.gz HVZCKNLJXZBASE-GJZGRUSLSA-N -1 3 273.376 3.399 20 0 CGADHM CC(C)C1CCC(C[N-]S(=O)(=O)c2ccco2)CC1 ZINC000445741590 393819725 /nfs/dbraw/zinc/81/97/25/393819725.db2.gz QYDARRVOVGMCSR-UHFFFAOYSA-N -1 3 285.409 3.020 20 0 CGADHM CC(C)(C)C1CN(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000457342114 394347567 /nfs/dbraw/zinc/34/75/67/394347567.db2.gz LLALNIFKJASVMA-UHFFFAOYSA-N -1 3 267.756 3.164 20 0 CGADHM CSc1ccc([O-])c(C(=O)N(C)CC(C)(C)C)c1 ZINC000667972182 542951632 /nfs/dbraw/zinc/95/16/32/542951632.db2.gz ICFHUTAWTWONHV-UHFFFAOYSA-N -1 3 267.394 3.232 20 0 CGADHM Cc1cc2ccc(C(=O)Nc3cc(F)ccc3[O-])cn2c1 ZINC000670419842 543153816 /nfs/dbraw/zinc/15/38/16/543153816.db2.gz NKVQLNZPLJKTBS-UHFFFAOYSA-N -1 3 284.290 3.345 20 0 CGADHM O=C(Nc1ccccc1[O-])c1sccc1Br ZINC000045012258 397621557 /nfs/dbraw/zinc/62/15/57/397621557.db2.gz VPHXILIFTSUTTO-UHFFFAOYSA-N -1 3 298.161 3.469 20 0 CGADHM O=C([O-])C[C@H]1CCCCN1CCc1c(F)cccc1Cl ZINC000650505912 397860041 /nfs/dbraw/zinc/86/00/41/397860041.db2.gz VGFKMAUZLHUDHE-LLVKDONJSA-N -1 3 299.773 3.351 20 0 CGADHM CC[C@@H](C(=O)[O-])N(C)Cc1cc2ccccc2s1 ZINC000650806575 397927408 /nfs/dbraw/zinc/92/74/08/397927408.db2.gz CTDLXGNQPXTHRE-LBPRGKRZSA-N -1 3 263.362 3.196 20 0 CGADHM C[C@](CNCc1ccc(Cl)o1)(C(=O)[O-])c1ccccc1 ZINC000650800459 397923383 /nfs/dbraw/zinc/92/33/83/397923383.db2.gz ZVJGGCVLKOVGMM-OAHLLOKOSA-N -1 3 293.750 3.065 20 0 CGADHM Cc1ccc(-c2nnc(NC(=O)[C@H](C)C3CCCC3)[n-]2)o1 ZINC000675708475 543356923 /nfs/dbraw/zinc/35/69/23/543356923.db2.gz UWFIGMIIMZUBMD-SNVBAGLBSA-N -1 3 288.351 3.138 20 0 CGADHM Cc1ccc(-c2n[n-]c(NC(=O)[C@H](C)C3CCCC3)n2)o1 ZINC000675708475 543356924 /nfs/dbraw/zinc/35/69/24/543356924.db2.gz UWFIGMIIMZUBMD-SNVBAGLBSA-N -1 3 288.351 3.138 20 0 CGADHM Cc1ccc(-c2nc(NC(=O)[C@H](C)C3CCCC3)n[n-]2)o1 ZINC000675708475 543356926 /nfs/dbraw/zinc/35/69/26/543356926.db2.gz UWFIGMIIMZUBMD-SNVBAGLBSA-N -1 3 288.351 3.138 20 0 CGADHM CC(C)c1cc(C(=O)[N-]c2cnoc2)nn1-c1ccccc1 ZINC000676425908 543397317 /nfs/dbraw/zinc/39/73/17/543397317.db2.gz VFLYQFJGKNEBCL-UHFFFAOYSA-N -1 3 296.330 3.236 20 0 CGADHM CCc1cc([N-]C(=O)c2cnc(C(C)C)s2)no1 ZINC000676530795 543403980 /nfs/dbraw/zinc/40/39/80/543403980.db2.gz XFXCMACUGCMZRI-UHFFFAOYSA-N -1 3 265.338 3.069 20 0 CGADHM Cc1cc(NC(=O)c2ccc(C(C)C)cc2[O-])c[nH]c1=O ZINC000677497004 543451154 /nfs/dbraw/zinc/45/11/54/543451154.db2.gz BPZFVZSRYCHIRX-UHFFFAOYSA-N -1 3 286.331 3.177 20 0 CGADHM CCc1ccc([O-])c(C(=O)N(CC)CCC(F)(F)F)c1 ZINC000677875508 543470134 /nfs/dbraw/zinc/47/01/34/543470134.db2.gz QESKQPTWVJRMRP-UHFFFAOYSA-N -1 3 289.297 3.369 20 0 CGADHM CCCc1nsc(NC(=O)c2cccc(CC)c2[O-])n1 ZINC000678308773 543513870 /nfs/dbraw/zinc/51/38/70/543513870.db2.gz SFMGDFJIQJKQJR-UHFFFAOYSA-N -1 3 291.376 3.011 20 0 CGADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C)o1)C1CCCCC1 ZINC000678614833 543546717 /nfs/dbraw/zinc/54/67/17/543546717.db2.gz IECLBPQFMFMKOX-CYBMUJFWSA-N -1 3 285.409 3.225 20 0 CGADHM CC[C@H]([N-]S(=O)(=O)c1ccc(C)o1)C1CCCCC1 ZINC000678614835 543546835 /nfs/dbraw/zinc/54/68/35/543546835.db2.gz IECLBPQFMFMKOX-ZDUSSCGKSA-N -1 3 285.409 3.225 20 0 CGADHM COc1cc(C(=O)N2CCC[C@@H]3CCCC[C@H]32)ccc1[O-] ZINC000276105704 286194228 /nfs/dbraw/zinc/19/42/28/286194228.db2.gz JOZPJAOGPSYGJZ-GXTWGEPZSA-N -1 3 289.375 3.196 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2cccc(F)c2F)c1 ZINC000040231308 286890306 /nfs/dbraw/zinc/89/03/06/286890306.db2.gz NPXLMSBMQHHXGH-UHFFFAOYSA-N -1 3 263.243 3.231 20 0 CGADHM CCC1CCC(N(C)C(=O)c2ccccc2[O-])CC1 ZINC000042355251 286894057 /nfs/dbraw/zinc/89/40/57/286894057.db2.gz WMSFAANEMDRDPI-UHFFFAOYSA-N -1 3 261.365 3.433 20 0 CGADHM CCc1ccc([O-])c(NC(=O)c2ccc(C(C)=O)cc2)c1 ZINC000074826334 287018321 /nfs/dbraw/zinc/01/83/21/287018321.db2.gz HHXAHYVNSSMTGU-UHFFFAOYSA-N -1 3 283.327 3.410 20 0 CGADHM CC[C@@H](NC(=O)c1cccc(C)c1[O-])c1nccs1 ZINC000080305768 287064550 /nfs/dbraw/zinc/06/45/50/287064550.db2.gz NRTZAOSLRIBGQA-LLVKDONJSA-N -1 3 276.361 3.038 20 0 CGADHM CCc1cccc(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000080923374 287068950 /nfs/dbraw/zinc/06/89/50/287068950.db2.gz PTIZVBIACSDCOQ-UHFFFAOYSA-N -1 3 291.372 3.058 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])c1cc(Cl)c[nH]1 ZINC000067139105 165037589 /nfs/dbraw/zinc/03/75/89/165037589.db2.gz KCODIILEWFAPDM-UHFFFAOYSA-N -1 3 271.103 3.279 20 0 CGADHM O=C(Nc1ccc([O-])cc1F)C1(c2ccccc2)CC1 ZINC000070333140 165057532 /nfs/dbraw/zinc/05/75/32/165057532.db2.gz OCJAJDPHDHIADD-UHFFFAOYSA-N -1 3 271.291 3.202 20 0 CGADHM Cc1occc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000070887177 165065319 /nfs/dbraw/zinc/06/53/19/165065319.db2.gz JDQMHADIBITJAJ-UHFFFAOYSA-N -1 3 251.669 3.199 20 0 CGADHM COc1ccc(F)cc1CN[C@H](C)CCC[C@H](C)C(=O)[O-] ZINC000087678199 165189500 /nfs/dbraw/zinc/18/95/00/165189500.db2.gz RGBUQNXLIOGKKH-NWDGAFQWSA-N -1 3 297.370 3.203 20 0 CGADHM C[C@@H](CCC[C@H](C)C(=O)[O-])NCc1ccccc1F ZINC000087677483 165191301 /nfs/dbraw/zinc/19/13/01/165191301.db2.gz KVMRYKTVTZWDSR-RYUDHWBXSA-N -1 3 267.344 3.195 20 0 CGADHM O=C(c1ccccc1[O-])N(Cc1ccc(O)cc1)CC1CC1 ZINC000092763780 165311468 /nfs/dbraw/zinc/31/14/68/165311468.db2.gz LPHUUCKVNKSHIS-UHFFFAOYSA-N -1 3 297.354 3.150 20 0 CGADHM Cc1cccc(C(=O)N(C)[C@H](C)c2cccc(O)c2)c1[O-] ZINC000092602246 287112761 /nfs/dbraw/zinc/11/27/61/287112761.db2.gz WAMCMKOUAOULEN-GFCCVEGCSA-N -1 3 285.343 3.239 20 0 CGADHM COc1ccc(-c2noc(-c3cccc(OC)c3[O-])n2)cc1 ZINC000109037250 287127209 /nfs/dbraw/zinc/12/72/09/287127209.db2.gz MTXAZXIBFYSXBL-UHFFFAOYSA-N -1 3 298.298 3.126 20 0 CGADHM CSCc1cccc(NC(=O)c2ccc3n[n-]nc3c2)c1 ZINC000109301113 287128295 /nfs/dbraw/zinc/12/82/95/287128295.db2.gz OQAMCXBFAVIJAR-UHFFFAOYSA-N -1 3 298.371 3.073 20 0 CGADHM CCc1ccc(OCC(=O)Nc2ccc([O-])cc2F)cc1 ZINC000183263690 165708169 /nfs/dbraw/zinc/70/81/69/165708169.db2.gz GHIXTSANASICPX-UHFFFAOYSA-N -1 3 289.306 3.111 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CC[C@H](C)C[C@H](C)C2)c1 ZINC000119406558 287168976 /nfs/dbraw/zinc/16/89/76/287168976.db2.gz BRHKCCGWVHKMIC-STQMWFEESA-N -1 3 261.365 3.209 20 0 CGADHM Cc1ccc(C(=O)Nc2ccccc2-n2ccnc2)c([O-])c1 ZINC000119991649 287176402 /nfs/dbraw/zinc/17/64/02/287176402.db2.gz XHDDDUVJOWMMQF-UHFFFAOYSA-N -1 3 293.326 3.139 20 0 CGADHM COc1ccc([O-])c(C(=O)Nc2ccccc2SC)c1 ZINC000121260995 287195533 /nfs/dbraw/zinc/19/55/33/287195533.db2.gz KXFUYUUMQXIGBV-UHFFFAOYSA-N -1 3 289.356 3.375 20 0 CGADHM CC(C)(C)C[C@@H](CC(=O)[O-])NCc1cccnc1Cl ZINC000284197500 196001373 /nfs/dbraw/zinc/00/13/73/196001373.db2.gz KYILNWRKBJEKPP-LLVKDONJSA-N -1 3 284.787 3.104 20 0 CGADHM O=S(=O)([N-]c1ccc(F)cc1Cl)c1ccccc1 ZINC000007405278 170282797 /nfs/dbraw/zinc/28/27/97/170282797.db2.gz CPXZTWYOQMKUKM-UHFFFAOYSA-N -1 3 285.727 3.280 20 0 CGADHM CCC[N-]S(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl ZINC000008447926 170336618 /nfs/dbraw/zinc/33/66/18/170336618.db2.gz RSWWPNZRARFBHX-UHFFFAOYSA-N -1 3 296.219 3.299 20 0 CGADHM CCCSCC(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000125337462 287242965 /nfs/dbraw/zinc/24/29/65/287242965.db2.gz RVDSJNIVOHYAGT-UHFFFAOYSA-N -1 3 293.310 3.493 20 0 CGADHM C[C@H](NC(=O)c1c([O-])cccc1O)c1cc2ccccc2o1 ZINC000125583997 287247239 /nfs/dbraw/zinc/24/72/39/287247239.db2.gz BDQSYVFOIBXYDH-JTQLQIEISA-N -1 3 297.310 3.335 20 0 CGADHM CCc1ccc(S(=O)(=O)[N-]c2cccnc2Cl)cc1 ZINC000020627209 171267930 /nfs/dbraw/zinc/26/79/30/171267930.db2.gz ABCLSJPJHCNPJL-UHFFFAOYSA-N -1 3 296.779 3.098 20 0 CGADHM C/C=C/C=C/C(=O)Nc1ccc(Br)cc1[O-] ZINC000126044180 287255878 /nfs/dbraw/zinc/25/58/78/287255878.db2.gz GPQHDFLKXZTMSY-MQQKCMAXSA-N -1 3 282.137 3.226 20 0 CGADHM O=C(c1cccc([O-])c1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000035165289 172027307 /nfs/dbraw/zinc/02/73/07/172027307.db2.gz HNUXAADQFWGAPF-WFASDCNBSA-N -1 3 259.349 3.187 20 0 CGADHM O=C([O-])C[C@H]1CCCCN1Cc1ccc(Cl)cc1 ZINC000038027664 174014064 /nfs/dbraw/zinc/01/40/64/174014064.db2.gz GEECCCIYHKVCFF-CYBMUJFWSA-N -1 3 267.756 3.169 20 0 CGADHM O=C([O-])CC[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000043585423 175071204 /nfs/dbraw/zinc/07/12/04/175071204.db2.gz HKAUBPOVZWPXRO-LBPRGKRZSA-N -1 3 281.783 3.417 20 0 CGADHM O=C(Cc1ccccc1Cl)Nc1cccc([O-])c1F ZINC000128318535 287308625 /nfs/dbraw/zinc/30/86/25/287308625.db2.gz PLJXZDPPOQJDEN-UHFFFAOYSA-N -1 3 279.698 3.366 20 0 CGADHM CC[C@H]1CCC[C@H](NC(=O)c2c[n-]c3ccccc3c2=O)C1 ZINC000077136074 177226884 /nfs/dbraw/zinc/22/68/84/177226884.db2.gz XICKKDXUUOQRQB-STQMWFEESA-N -1 3 298.386 3.227 20 0 CGADHM C[C@@H]1CCC[C@@H](OCC(=O)Nc2cccc([O-])c2F)C1 ZINC000129355352 287329340 /nfs/dbraw/zinc/32/93/40/287329340.db2.gz KTQIWBCZEDLYGV-GHMZBOCLSA-N -1 3 281.327 3.065 20 0 CGADHM CC(C)(C)C(=O)Nc1ccc(Br)cc1[O-] ZINC000126012991 416508963 /nfs/dbraw/zinc/50/89/63/416508963.db2.gz WOSWNRUEVAMJPP-UHFFFAOYSA-N -1 3 272.142 3.139 20 0 CGADHM O=C(Nc1cccc([O-])c1F)c1cc2cc(F)ccc2[nH]1 ZINC000129698300 287337625 /nfs/dbraw/zinc/33/76/25/287337625.db2.gz IMPMFOHMBAGCTA-UHFFFAOYSA-N -1 3 288.253 3.404 20 0 CGADHM C[C@H]1CC[C@H](CC(=O)Nc2cccc([O-])c2F)C1 ZINC000129770839 287338811 /nfs/dbraw/zinc/33/88/11/287338811.db2.gz AHMCQEBFGDDKEV-UWVGGRQHSA-N -1 3 251.301 3.296 20 0 CGADHM Cc1cc(C(=O)Nc2ncc(Cl)s2)ccc1[O-] ZINC000679410232 543635944 /nfs/dbraw/zinc/63/59/44/543635944.db2.gz CTNCZACSXSADIP-UHFFFAOYSA-N -1 3 268.725 3.063 20 0 CGADHM O=C(CCCc1ccc([O-])c(F)c1)NCc1ccsc1 ZINC000345011896 225229686 /nfs/dbraw/zinc/22/96/86/225229686.db2.gz JKFDWCNKEQYAPF-UHFFFAOYSA-N -1 3 293.363 3.232 20 0 CGADHM Cc1cc(C(=O)[N-]c2nc(-c3ccccc3F)co2)on1 ZINC000366883478 225191563 /nfs/dbraw/zinc/19/15/63/225191563.db2.gz VFISYVGKPAAXHT-UHFFFAOYSA-N -1 3 287.250 3.029 20 0 CGADHM O=C(c1ccc2c(c1[O-])CCCC2)N1CCC2(CC2)CC1 ZINC000680437627 543710620 /nfs/dbraw/zinc/71/06/20/543710620.db2.gz AXJAYZAFCGVBKY-UHFFFAOYSA-N -1 3 285.387 3.287 20 0 CGADHM CCOc1nc(C(=O)[N-]c2ncc(C(C)(C)C)s2)co1 ZINC000681298102 543781153 /nfs/dbraw/zinc/78/11/53/543781153.db2.gz LLQLWYRQORCXLE-UHFFFAOYSA-N -1 3 295.364 3.080 20 0 CGADHM C[C@H]1CCN(C(=O)[C@H]2CC23CCC3)c2c([O-])cccc21 ZINC000681088952 543763989 /nfs/dbraw/zinc/76/39/89/543763989.db2.gz XFSYPGPWBWVROE-WCQYABFASA-N -1 3 271.360 3.423 20 0 CGADHM CCc1cccc(C(=O)N(C)Cc2ccn(CC)c2)c1[O-] ZINC000682948385 543881021 /nfs/dbraw/zinc/88/10/21/543881021.db2.gz UWLJOGIIEXDSOS-UHFFFAOYSA-N -1 3 286.375 3.048 20 0 CGADHM CCCCc1ccc(C(=O)NCc2ncccc2[O-])cc1 ZINC000684349307 543983668 /nfs/dbraw/zinc/98/36/68/543983668.db2.gz FEAPQVOUEYIHMF-UHFFFAOYSA-N -1 3 284.359 3.060 20 0 CGADHM CC[C@H]1c2ccccc2CCN1Cc1ccc(C(=O)[O-])cn1 ZINC000652414584 418965414 /nfs/dbraw/zinc/96/54/14/418965414.db2.gz HWFRBEXNOUEWGI-KRWDZBQOSA-N -1 3 296.370 3.289 20 0 CGADHM CC[C@@]1(C)CCN([C@@H](C)c2cc(C)c(C(=O)[O-])o2)C1 ZINC000652431818 418968011 /nfs/dbraw/zinc/96/80/11/418968011.db2.gz PJKKHVYQVGXIQZ-NHYWBVRUSA-N -1 3 265.353 3.469 20 0 CGADHM Cc1oc(C(=O)[O-])cc1CN1CC2(CCC2)C[C@H]1C ZINC000652446464 418970447 /nfs/dbraw/zinc/97/04/47/418970447.db2.gz FGKMWQHFODTHJO-SNVBAGLBSA-N -1 3 263.337 3.051 20 0 CGADHM CC/C=C/CCN1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000652469971 418973793 /nfs/dbraw/zinc/97/37/93/418973793.db2.gz KBJKHDIJVIGFLA-NHZBNJEXSA-N -1 3 259.349 3.027 20 0 CGADHM O=C([O-])c1cccc2c1CN(CCc1ccccc1F)CC2 ZINC000652487708 418975477 /nfs/dbraw/zinc/97/54/77/418975477.db2.gz OOKVHBPCIJGQJO-UHFFFAOYSA-N -1 3 299.345 3.125 20 0 CGADHM C[C@H](c1ccc(C(=O)[O-])o1)N(C)CCOc1ccccc1 ZINC000652372267 418957432 /nfs/dbraw/zinc/95/74/32/418957432.db2.gz YFXNENGOPHLKFV-GFCCVEGCSA-N -1 3 289.331 3.050 20 0 CGADHM CC[C@@H]1c2ccccc2CCN1Cc1occc1C(=O)[O-] ZINC000652414495 418964153 /nfs/dbraw/zinc/96/41/53/418964153.db2.gz AVTOTJNSSQLWAS-OAHLLOKOSA-N -1 3 285.343 3.487 20 0 CGADHM C[C@H]1CCCN1Cc1c(Br)cccc1C(=O)[O-] ZINC000652411140 418964497 /nfs/dbraw/zinc/96/44/97/418964497.db2.gz DZINWEZYNPRQLD-VIFPVBQESA-N -1 3 298.180 3.132 20 0 CGADHM CC1=CCC[C@@H](C)[C@H]1CN[C@@H](C)c1nc(C(=O)[O-])cs1 ZINC000653508616 419040170 /nfs/dbraw/zinc/04/01/70/419040170.db2.gz NNVZBBVQDGTRQC-WOPDTQHZSA-N -1 3 294.420 3.484 20 0 CGADHM C[C@@H]1CCCN1[C@H](C(=O)[O-])c1ccccc1Br ZINC000659787900 418990541 /nfs/dbraw/zinc/99/05/41/418990541.db2.gz SKLXJOISBSPLMF-SKDRFNHKSA-N -1 3 298.180 3.059 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@@H]1CCc2ccccc2C1 ZINC000653035939 419012892 /nfs/dbraw/zinc/01/28/92/419012892.db2.gz KBVTYLWTHHZJQT-OAHLLOKOSA-N -1 3 297.402 3.007 20 0 CGADHM CO[C@H](C(=O)Nc1ccc(C)cc1[O-])C1CCCCC1 ZINC000665202825 419079976 /nfs/dbraw/zinc/07/99/76/419079976.db2.gz PPGOBZKIPGHOPU-HNNXBMFYSA-N -1 3 277.364 3.234 20 0 CGADHM C[C@@H](NCc1ccc(Cl)o1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656099445 419139963 /nfs/dbraw/zinc/13/99/63/419139963.db2.gz RKERLARPPABLQA-DVVUODLYSA-N -1 3 285.771 3.158 20 0 CGADHM Cc1cc(=O)[n-]c(C(C)(C)NCc2ccc(Cl)cc2)n1 ZINC000660745129 419190109 /nfs/dbraw/zinc/19/01/09/419190109.db2.gz KDNMPAVYXDQZPC-UHFFFAOYSA-N -1 3 291.782 3.169 20 0 CGADHM O=C([O-])[C@H](c1ccsc1)N1CCC(c2ccco2)CC1 ZINC000656756597 419210079 /nfs/dbraw/zinc/21/00/79/419210079.db2.gz GVLFZKHLEZFGMZ-AWEZNQCLSA-N -1 3 291.372 3.346 20 0 CGADHM Cc1cc([C@H](C)N2CCC[C@H](CCF)C2)oc1C(=O)[O-] ZINC000656762978 419211744 /nfs/dbraw/zinc/21/17/44/419211744.db2.gz JIKFBXSNYCTYFC-NWDGAFQWSA-N -1 3 283.343 3.419 20 0 CGADHM CC[C@](C)([N-]S(=O)(=O)c1ccc(Cl)s1)C1CC1 ZINC000657177060 419229759 /nfs/dbraw/zinc/22/97/59/419229759.db2.gz GVIQBXOBBXUANZ-NSHDSACASA-N -1 3 293.841 3.259 20 0 CGADHM O=c1cc(CN2CC[C@@H]2c2ccc(F)cc2)nc(C2CC2)[n-]1 ZINC000661511634 419268786 /nfs/dbraw/zinc/26/87/86/419268786.db2.gz ZOOWJQOAXPZISF-OAHLLOKOSA-N -1 3 299.349 3.146 20 0 CGADHM c1ccc(-c2nc(SC[C@@H]3C[C@H]4C[C@H]4C3)n[n-]2)nc1 ZINC000663243294 419529103 /nfs/dbraw/zinc/52/91/03/419529103.db2.gz GBNRTSNJTJIIKW-JGPRNRPPSA-N -1 3 272.377 3.005 20 0 CGADHM C[C@@H](CC(C)(C)NCc1ccc(F)c(F)c1F)C(=O)[O-] ZINC000663264517 419535446 /nfs/dbraw/zinc/53/54/46/419535446.db2.gz VPZYZTSMHNYWBY-QMMMGPOBSA-N -1 3 289.297 3.083 20 0 CGADHM O=C(/C=C/c1cccnc1)Nc1ccc(Cl)cc1[O-] ZINC000179638098 260059474 /nfs/dbraw/zinc/05/94/74/260059474.db2.gz GGPGFAPQOLRFRG-ZZXKWVIFSA-N -1 3 274.707 3.093 20 0 CGADHM Cc1ccc([O-])c(C(=O)NCCSc2ccccc2)c1 ZINC000018214387 261061754 /nfs/dbraw/zinc/06/17/54/261061754.db2.gz XWUJCHRORVJWCI-UHFFFAOYSA-N -1 3 287.384 3.223 20 0 CGADHM FC(F)(F)c1c[n-]c(=NCC2CCCC2)s1 ZINC000394491403 261087897 /nfs/dbraw/zinc/08/78/97/261087897.db2.gz RHDHVKMNWKMQMK-UHFFFAOYSA-N -1 3 250.289 3.186 20 0 CGADHM Cc1cc(C(=O)N2CC[C@@H](c3ccccc3F)C2)ccc1[O-] ZINC000272462023 263004876 /nfs/dbraw/zinc/00/48/76/263004876.db2.gz OOWAVQNLQPMUKZ-CQSZACIVSA-N -1 3 299.345 3.469 20 0 CGADHM CC(C)ON=C([O-])Nc1ccc(F)cc1C(F)(F)F ZINC000296590110 263194256 /nfs/dbraw/zinc/19/42/56/263194256.db2.gz VKAJRWGNGPRDTO-UHFFFAOYSA-N -1 3 280.221 3.306 20 0 CGADHM CC(C)O[N-]C(=O)Nc1ccc(F)cc1C(F)(F)F ZINC000296590110 263194258 /nfs/dbraw/zinc/19/42/58/263194258.db2.gz VKAJRWGNGPRDTO-UHFFFAOYSA-N -1 3 280.221 3.306 20 0 CGADHM CC(C)[C@H](C)N(C)C(=O)c1c[n-]c2ccccc2c1=O ZINC000299089262 263230671 /nfs/dbraw/zinc/23/06/71/263230671.db2.gz MQZXLICHYNIXTO-NSHDSACASA-N -1 3 272.348 3.057 20 0 CGADHM COc1ccc(NC(=O)c2cc(C)ccc2[O-])cc1F ZINC000037290950 270029153 /nfs/dbraw/zinc/02/91/53/270029153.db2.gz UEWNCVZTEYXSRM-UHFFFAOYSA-N -1 3 275.279 3.101 20 0 CGADHM CCN(Cc1cccs1)C(=O)c1cccc(OC)c1[O-] ZINC000042273558 270032024 /nfs/dbraw/zinc/03/20/24/270032024.db2.gz DBLBNHHRLGKTBF-UHFFFAOYSA-N -1 3 291.372 3.125 20 0 CGADHM Cc1ccc(C(=O)N[C@@H](C)CCc2ccco2)c([O-])c1 ZINC000042306561 270032112 /nfs/dbraw/zinc/03/21/12/270032112.db2.gz PIYBRUNJVLDBSZ-LBPRGKRZSA-N -1 3 273.332 3.045 20 0 CGADHM CCc1ccccc1CNC(=O)c1ccc(C)cc1[O-] ZINC000084204593 270043313 /nfs/dbraw/zinc/04/33/13/270043313.db2.gz FOIXWFKPBWHOOT-UHFFFAOYSA-N -1 3 269.344 3.193 20 0 CGADHM CCc1onc(C)c1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000185387764 270062716 /nfs/dbraw/zinc/06/27/16/270062716.db2.gz LOKUBBWBTXMQMB-UHFFFAOYSA-N -1 3 280.711 3.157 20 0 CGADHM COc1ccccc1NC(=O)c1cc(-c2ccc(C)o2)[n-]n1 ZINC000193122444 270078655 /nfs/dbraw/zinc/07/86/55/270078655.db2.gz BDJBAVCUSFOMJT-UHFFFAOYSA-N -1 3 297.314 3.239 20 0 CGADHM COc1ccccc1NC(=O)c1cc(-c2ccc(C)o2)n[n-]1 ZINC000193122444 270078656 /nfs/dbraw/zinc/07/86/56/270078656.db2.gz BDJBAVCUSFOMJT-UHFFFAOYSA-N -1 3 297.314 3.239 20 0 CGADHM CCC[C@@H]1CCCCN1C(=O)c1cc(C)ccc1[O-] ZINC000213407260 270084870 /nfs/dbraw/zinc/08/48/70/270084870.db2.gz WGAUEFUYULROMZ-CYBMUJFWSA-N -1 3 261.365 3.495 20 0 CGADHM CC(F)(F)CCNCc1cccc([O-])c1Br ZINC000315639311 270092550 /nfs/dbraw/zinc/09/25/50/270092550.db2.gz WEDWJNMRYLTGDK-UHFFFAOYSA-N -1 3 294.139 3.290 20 0 CGADHM CCCN(CC)Cc1cccc([O-])c1Br ZINC000316144119 270092645 /nfs/dbraw/zinc/09/26/45/270092645.db2.gz PWTILGLNJOAEPK-UHFFFAOYSA-N -1 3 272.186 3.387 20 0 CGADHM C[C@@H]1CCCN1Cc1cccc([O-])c1Br ZINC000315845665 270092677 /nfs/dbraw/zinc/09/26/77/270092677.db2.gz LESNHVHWRRQEIL-SECBINFHSA-N -1 3 270.170 3.139 20 0 CGADHM CCCC[C@H](C(=O)[O-])N1CCc2[nH]c3ccccc3c2C1 ZINC000520823363 270099275 /nfs/dbraw/zinc/09/92/75/270099275.db2.gz BWAOBPLWOLXNAW-MRXNPFEDSA-N -1 3 286.375 3.169 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)[C@H](C)OCC(C)C)c1[O-] ZINC000522632508 270106777 /nfs/dbraw/zinc/10/67/77/270106777.db2.gz BLRZHWFCNLFKNE-JTQLQIEISA-N -1 3 285.771 3.354 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2ccc(C)cc2O)c1 ZINC000523322921 270108419 /nfs/dbraw/zinc/10/84/19/270108419.db2.gz XUOQLWDTJMSUHC-UHFFFAOYSA-N -1 3 271.316 3.221 20 0 CGADHM CC(C)[C@@H](C)C[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000523521756 270109721 /nfs/dbraw/zinc/10/97/21/270109721.db2.gz BDOWLAANTYUWBK-VIFPVBQESA-N -1 3 293.791 3.050 20 0 CGADHM C[C@@H](CCC1CCCCC1)NC(=O)c1csc(=O)[n-]1 ZINC000525922172 270120620 /nfs/dbraw/zinc/12/06/20/270120620.db2.gz BKWZAYRRMMRXBO-JTQLQIEISA-N -1 3 282.409 3.328 20 0 CGADHM [O-]c1cccc(CNC[C@H]2CCN2C2CCCC2)c1Cl ZINC000527808605 270137824 /nfs/dbraw/zinc/13/78/24/270137824.db2.gz JVTBAYBDXXMJCO-CQSZACIVSA-N -1 3 294.826 3.152 20 0 CGADHM Cc1ncc(CN[C@H](C)c2cccc(C(C)C)c2)c(=O)[n-]1 ZINC000527885616 270141991 /nfs/dbraw/zinc/14/19/91/270141991.db2.gz ITGKNNVBJYFCAU-GFCCVEGCSA-N -1 3 285.391 3.465 20 0 CGADHM CCC[C@H](OCC)c1nc(-c2ccc([O-])cc2)no1 ZINC000528153666 270155959 /nfs/dbraw/zinc/15/59/59/270155959.db2.gz BZQQRXWSGMPYMD-LBPRGKRZSA-N -1 3 262.309 3.320 20 0 CGADHM Cc1cccc([C@H](Nc2cc(Cl)c(=O)[n-]n2)C(C)C)c1 ZINC000528215654 270158033 /nfs/dbraw/zinc/15/80/33/270158033.db2.gz WAHHCULYLTUVOU-CQSZACIVSA-N -1 3 291.782 3.375 20 0 CGADHM C[C@H]1CCN(C(=O)c2cc([O-])cc(Br)c2)[C@H]1C ZINC000528775113 270172714 /nfs/dbraw/zinc/17/27/14/270172714.db2.gz PEGWYBKNJCULFE-IUCAKERBSA-N -1 3 298.180 3.025 20 0 CGADHM O=C([O-])[C@@H]1c2ccoc2CCN1CCC1=CCCCC1 ZINC000530166044 270195540 /nfs/dbraw/zinc/19/55/40/270195540.db2.gz WQTDJYHDTYREFV-HNNXBMFYSA-N -1 3 275.348 3.154 20 0 CGADHM CCC[C@@H](C)C(=O)N=c1[nH][n-]c(C)c1-c1ccccc1F ZINC000530275682 270198278 /nfs/dbraw/zinc/19/82/78/270198278.db2.gz MKNLKCZNMVPVSS-SNVBAGLBSA-N -1 3 289.354 3.321 20 0 CGADHM CCc1cccc(C(=O)N2CC[C@@H]2Cc2ccccc2)c1[O-] ZINC000531198360 270205356 /nfs/dbraw/zinc/20/53/56/270205356.db2.gz ZGKOAABXSQNMPC-MRXNPFEDSA-N -1 3 295.382 3.412 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2ccc3c(c2)C(=O)CCC3)c1 ZINC000531418238 270206631 /nfs/dbraw/zinc/20/66/31/270206631.db2.gz IYCUBUKEVHHCBI-UHFFFAOYSA-N -1 3 295.338 3.472 20 0 CGADHM CC[C@@]1(C)C[C@@H]1C(=O)N=c1[nH][n-]c(C)c1-c1ccccc1 ZINC000532072088 270213188 /nfs/dbraw/zinc/21/31/88/270213188.db2.gz CAFJPVUBVNRQSL-DYVFJYSZSA-N -1 3 283.375 3.182 20 0 CGADHM C[C@@H](N(C)C(=O)Cc1ccc([O-])cc1Cl)C(C)(C)C ZINC000532659373 270218362 /nfs/dbraw/zinc/21/83/62/270218362.db2.gz KIVGNGLGFLHZCT-SNVBAGLBSA-N -1 3 283.799 3.481 20 0 CGADHM O=C([O-])C[C@@H]1CCCN(CCc2c(F)cccc2Cl)C1 ZINC000532711717 270218870 /nfs/dbraw/zinc/21/88/70/270218870.db2.gz DAWADDWOTQBPJW-NSHDSACASA-N -1 3 299.773 3.208 20 0 CGADHM CCc1ccc(O)c([N-]S(=O)(=O)CCC(C)(C)C)c1 ZINC000234158183 287648421 /nfs/dbraw/zinc/64/84/21/287648421.db2.gz JBGFGIIQHRSTOF-UHFFFAOYSA-N -1 3 285.409 3.133 20 0 CGADHM [O-]c1cc(F)cc(CN[C@@H]2CCOc3ccc(F)cc32)c1 ZINC000274451897 275060851 /nfs/dbraw/zinc/06/08/51/275060851.db2.gz QXCYPEDZKONICI-OAHLLOKOSA-N -1 3 291.297 3.284 20 0 CGADHM CC(=O)c1ccc(C(=O)N2CC[C@@H](C)c3cccc([O-])c32)o1 ZINC000335862942 275502587 /nfs/dbraw/zinc/50/25/87/275502587.db2.gz NTUVRXKRDFMISW-SNVBAGLBSA-N -1 3 299.326 3.342 20 0 CGADHM CC(C)CO[N-]C(=O)Nc1cccc(Cl)c1N(C)C ZINC000269663781 275897977 /nfs/dbraw/zinc/89/79/77/275897977.db2.gz HRSAGIBLUGQXCW-UHFFFAOYSA-N -1 3 285.775 3.115 20 0 CGADHM COC(C)(C)C[C@H](C)NCc1cccc([O-])c1Cl ZINC000339283559 277459218 /nfs/dbraw/zinc/45/92/18/277459218.db2.gz NKILPZDUKBHVPL-JTQLQIEISA-N -1 3 271.788 3.339 20 0 CGADHM C[C@@H]1CCN(C(=O)C2CC(F)(F)C2)c2c([O-])cccc21 ZINC000335688630 277736890 /nfs/dbraw/zinc/73/68/90/277736890.db2.gz ZSYRNPAOHBRSNY-SECBINFHSA-N -1 3 281.302 3.278 20 0 CGADHM CC(C)c1ccc(C(=O)N2CCSCC[C@@H]2C)c([O-])c1 ZINC000276717966 278026155 /nfs/dbraw/zinc/02/61/55/278026155.db2.gz AFLDZMSLEDGBRS-LBPRGKRZSA-N -1 3 293.432 3.483 20 0 CGADHM C[C@@H]1CN(C(=O)c2cc([O-])ccc2Cl)[C@@H](C)[C@H]1C ZINC000399572590 288052876 /nfs/dbraw/zinc/05/28/76/288052876.db2.gz PGBLYCFFOVFHDH-UTLUCORTSA-N -1 3 267.756 3.162 20 0 CGADHM C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2C(F)(F)F)c2c([O-])cccc21 ZINC000450932612 278537618 /nfs/dbraw/zinc/53/76/18/278537618.db2.gz INLFVQKOPZOJJC-FBIMIBRVSA-N -1 3 299.292 3.431 20 0 CGADHM C[C@@H]1Cc2ccccc2N1C(=O)c1cc(C(F)(F)F)n[n-]1 ZINC000334271903 279019372 /nfs/dbraw/zinc/01/93/72/279019372.db2.gz WCINGZPRBPBBIL-MRVPVSSYSA-N -1 3 295.264 3.020 20 0 CGADHM C[C@@H]1Cc2ccccc2N1C(=O)c1cc(C(F)(F)F)[n-]n1 ZINC000334271903 279019374 /nfs/dbraw/zinc/01/93/74/279019374.db2.gz WCINGZPRBPBBIL-MRVPVSSYSA-N -1 3 295.264 3.020 20 0 CGADHM Cc1ccccc1[C@H](C)N(C)C(=O)c1cccc2[n-]nnc21 ZINC000526115904 288149585 /nfs/dbraw/zinc/14/95/85/288149585.db2.gz DNVSCNQLYMCNPT-LBPRGKRZSA-N -1 3 294.358 3.100 20 0 CGADHM Cc1ccccc1[C@H](C)N(C)C(=O)c1cccc2nn[n-]c21 ZINC000526115904 288149588 /nfs/dbraw/zinc/14/95/88/288149588.db2.gz DNVSCNQLYMCNPT-LBPRGKRZSA-N -1 3 294.358 3.100 20 0 CGADHM Cc1ccccc1[C@H](C)N(C)C(=O)c1cccc2n[n-]nc21 ZINC000526115904 288149590 /nfs/dbraw/zinc/14/95/90/288149590.db2.gz DNVSCNQLYMCNPT-LBPRGKRZSA-N -1 3 294.358 3.100 20 0 CGADHM CCCCOc1ccc(C(=O)N2[C@H](C)C[C@H]2C)c([O-])c1 ZINC000526959555 288153691 /nfs/dbraw/zinc/15/36/91/288153691.db2.gz PTSQCJHRXNMPCS-VXGBXAGGSA-N -1 3 277.364 3.194 20 0 CGADHM O=C(CCCc1ccc([O-])c(F)c1)NCCCC1CC1 ZINC000527046380 288156211 /nfs/dbraw/zinc/15/62/11/288156211.db2.gz IGFGSYOJXVNHBO-UHFFFAOYSA-N -1 3 279.355 3.160 20 0 CGADHM CCOCc1nc(=O)c2c3c(sc2[n-]1)C[C@@H](C)CC3 ZINC000336468227 279753173 /nfs/dbraw/zinc/75/31/73/279753173.db2.gz VQBAEQITJXSSJZ-QMMMGPOBSA-N -1 3 278.377 3.058 20 0 CGADHM CC[C@@H]1CCCCN1C(=O)c1ccc(C)c(C)c1[O-] ZINC000436754615 280246280 /nfs/dbraw/zinc/24/62/80/280246280.db2.gz IXSACTUHSILTLF-CYBMUJFWSA-N -1 3 261.365 3.414 20 0 CGADHM CC1(C)CCN(C(=O)c2cc([O-])ccc2Cl)CC1 ZINC000232782818 281086057 /nfs/dbraw/zinc/08/60/57/281086057.db2.gz YZHAWKBOTHMYBV-UHFFFAOYSA-N -1 3 267.756 3.308 20 0 CGADHM CCc1cc(C(=O)N2CCCC23CCC3)ccc1[O-] ZINC000335185929 281376119 /nfs/dbraw/zinc/37/61/19/281376119.db2.gz LIBXLGHLFOWWRX-UHFFFAOYSA-N -1 3 259.349 3.113 20 0 CGADHM O=C([O-])CCC1CCN(CCc2ccccc2Cl)CC1 ZINC000537981183 288557139 /nfs/dbraw/zinc/55/71/39/288557139.db2.gz AOESYXOCVFACHJ-UHFFFAOYSA-N -1 3 295.810 3.459 20 0 CGADHM CC[C@](C)([N-]S(=O)(=O)c1ccc(C)cc1)C(F)(F)F ZINC000547496268 288964313 /nfs/dbraw/zinc/96/43/13/288964313.db2.gz AUXVCQGSSPQGQM-NSHDSACASA-N -1 3 295.326 3.004 20 0 CGADHM CCC[C@@H](C)CC(=O)Nc1ccc(C(=O)OCC)cc1[O-] ZINC000550967527 289093618 /nfs/dbraw/zinc/09/36/18/289093618.db2.gz AGGBNFPXIRNHTL-LLVKDONJSA-N -1 3 293.363 3.334 20 0 CGADHM C[C@H](Oc1ccccc1)C(=O)Nc1c([O-])cccc1Cl ZINC000552780818 289198285 /nfs/dbraw/zinc/19/82/85/289198285.db2.gz QWXADGSXMFBEBW-JTQLQIEISA-N -1 3 291.734 3.452 20 0 CGADHM [O-]c1ccc(-c2noc(/C=C\c3cscn3)n2)cc1 ZINC000554025168 289251643 /nfs/dbraw/zinc/25/16/43/289251643.db2.gz RNMLZWAXBIJATR-UTCJRWHESA-N -1 3 271.301 3.069 20 0 CGADHM CCc1cccc(C(=O)N2CC(C)(C)[C@H]2C(C)C)c1[O-] ZINC000554494624 289285908 /nfs/dbraw/zinc/28/59/08/289285908.db2.gz JPRJMHVDVKLXCN-OAHLLOKOSA-N -1 3 275.392 3.461 20 0 CGADHM O=C(NCCOCC1CCC1)c1cc([O-])c2ccccc2c1 ZINC000556465418 289393912 /nfs/dbraw/zinc/39/39/12/289393912.db2.gz RGRNIHUYSVTCTR-UHFFFAOYSA-N -1 3 299.370 3.092 20 0 CGADHM Cn1cc(Cl)cc1C(=O)Nc1c([O-])cccc1Cl ZINC000557181767 289433844 /nfs/dbraw/zinc/43/38/44/289433844.db2.gz XHDGKFKBGNMWGD-UHFFFAOYSA-N -1 3 285.130 3.290 20 0 CGADHM Cc1cccc(C(=O)Nc2c([O-])cccc2Cl)n1 ZINC000557181602 289433944 /nfs/dbraw/zinc/43/39/44/289433944.db2.gz WHDUIUOVDSUABR-UHFFFAOYSA-N -1 3 262.696 3.001 20 0 CGADHM O=C(CC[C@@H]1CCCCO1)Nc1c([O-])cccc1Cl ZINC000557182351 289434476 /nfs/dbraw/zinc/43/44/76/289434476.db2.gz NVCFUSPUWFACBA-JTQLQIEISA-N -1 3 283.755 3.333 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CCC[C@@H](CSC)C2)c1 ZINC000558135269 289474120 /nfs/dbraw/zinc/47/41/20/289474120.db2.gz MKZATJUZSCPVRL-CYBMUJFWSA-N -1 3 293.432 3.170 20 0 CGADHM CSc1ccc(C(=O)Nc2cccc(C(C)=O)c2[O-])o1 ZINC000560551369 289604128 /nfs/dbraw/zinc/60/41/28/289604128.db2.gz JKXRLODTIIWNJL-UHFFFAOYSA-N -1 3 291.328 3.162 20 0 CGADHM CCCCSCCC(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000560552238 289604528 /nfs/dbraw/zinc/60/45/28/289604528.db2.gz MWIZHTISGBMPGX-UHFFFAOYSA-N -1 3 295.404 3.457 20 0 CGADHM Cc1cc(C(=O)Nc2c([O-])cccc2Cl)ns1 ZINC000560821303 289617062 /nfs/dbraw/zinc/61/70/62/289617062.db2.gz CQNXNUCCBHGYDR-UHFFFAOYSA-N -1 3 268.725 3.063 20 0 CGADHM CCc1ccc2nccc(N3CCC[C@H](CC(=O)[O-])C3)c2c1 ZINC000562780286 289734229 /nfs/dbraw/zinc/73/42/29/289734229.db2.gz HJUISGYEMSMVSF-CQSZACIVSA-N -1 3 298.386 3.488 20 0 CGADHM Cc1nc(CNC[C@H]2CCCC[C@H]2C)sc1C(=O)[O-] ZINC000426676721 293274906 /nfs/dbraw/zinc/27/49/06/293274906.db2.gz GAFWUBHCLQQCJW-MWLCHTKSSA-N -1 3 282.409 3.066 20 0 CGADHM C[C@H]1Cc2ccccc2[C@@H]1NCc1ccc(C(=O)[O-])cc1 ZINC000414639324 300548875 /nfs/dbraw/zinc/54/88/75/300548875.db2.gz PTQRCDXTPXJHAM-YVEFUNNKSA-N -1 3 281.355 3.408 20 0 CGADHM Cc1cccc2c(=O)c(C(=O)N3CCC(C)=C(C)C3)c[n-]c12 ZINC000332956596 302051831 /nfs/dbraw/zinc/05/18/31/302051831.db2.gz AWCOELFGOQEANK-UHFFFAOYSA-N -1 3 296.370 3.019 20 0 CGADHM Cc1cccc2c(=O)c(C(=O)N3[C@@H](C)CC[C@@H]3C)c[n-]c12 ZINC000164812070 302054266 /nfs/dbraw/zinc/05/42/66/302054266.db2.gz FCQRRWUWYKNUBO-RYUDHWBXSA-N -1 3 284.359 3.262 20 0 CGADHM COc1ccc(NC(=O)[C@@H]2CCC(C)=C(C)C2)c([O-])c1 ZINC000580076711 327693131 /nfs/dbraw/zinc/69/31/31/327693131.db2.gz DVYBAEBYQRKJMT-GFCCVEGCSA-N -1 3 275.348 3.476 20 0 CGADHM CCc1cnc([N-]C(=O)c2c(F)ccc(F)c2F)s1 ZINC000187381010 327713481 /nfs/dbraw/zinc/71/34/81/327713481.db2.gz SBWVDKROIZCBBM-UHFFFAOYSA-N -1 3 286.278 3.375 20 0 CGADHM C[C@@H](COc1ccccc1)C(=O)Nc1ccccc1[O-] ZINC000157546104 321798833 /nfs/dbraw/zinc/79/88/33/321798833.db2.gz GAWZWUZYLYPAJO-LBPRGKRZSA-N -1 3 271.316 3.046 20 0 CGADHM CC[C@@H](CNC(=O)c1cccc(OC)c1[O-])c1ccccc1 ZINC000261366921 321949817 /nfs/dbraw/zinc/94/98/17/321949817.db2.gz ORFWBLIWEYJJQO-ZDUSSCGKSA-N -1 3 299.370 3.324 20 0 CGADHM O=C(NCc1ncccc1[O-])[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000332939904 321964475 /nfs/dbraw/zinc/96/44/75/321964475.db2.gz HEOOVMDOLQJZLZ-MGPQQGTHSA-N -1 3 288.391 3.010 20 0 CGADHM Cc1cccc(C(=O)Nc2ccc(-c3c[nH]cn3)cc2)c1[O-] ZINC000552110329 321974165 /nfs/dbraw/zinc/97/41/65/321974165.db2.gz INSBLFTYXQWDBE-UHFFFAOYSA-N -1 3 293.326 3.343 20 0 CGADHM CCc1oc(C(=O)[O-])cc1CN1CC[C@H](C)C(C)(C)C1 ZINC000563631806 322004825 /nfs/dbraw/zinc/00/48/25/322004825.db2.gz SEBCKCWJWXXVMT-NSHDSACASA-N -1 3 279.380 3.408 20 0 CGADHM Cc1ccc2c(ncc(C(=O)[O-])c2N2CCCC2)c1C ZINC000565954890 322098535 /nfs/dbraw/zinc/09/85/35/322098535.db2.gz XIUYBXVWMYYRBY-UHFFFAOYSA-N -1 3 270.332 3.150 20 0 CGADHM C[C@@H](c1ccc(F)c(F)c1)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000566221922 322110092 /nfs/dbraw/zinc/11/00/92/322110092.db2.gz WSKSNDPNIFACFF-JFGNBEQYSA-N -1 3 283.318 3.068 20 0 CGADHM CC(=O)c1cccc(NC(=O)[C@@H](C)CC(C)C)c1[O-] ZINC000566280328 322113784 /nfs/dbraw/zinc/11/37/84/322113784.db2.gz FHFYSRBPBKKTKG-JTQLQIEISA-N -1 3 263.337 3.216 20 0 CGADHM CCN(Cc1occc1C(=O)[O-])[C@H](C)Cc1ccsc1 ZINC000566360802 322118156 /nfs/dbraw/zinc/11/81/56/322118156.db2.gz ASSDZPQESBQACI-LLVKDONJSA-N -1 3 293.388 3.492 20 0 CGADHM CN(Cc1ccc(C(=O)[O-])c(Cl)c1)[C@H]1CC1(C)C ZINC000566362550 322118750 /nfs/dbraw/zinc/11/87/50/322118750.db2.gz UOSZREYQYGREEW-LBPRGKRZSA-N -1 3 267.756 3.269 20 0 CGADHM Cc1cc([C@H](C)N2CC[C@]3(C)[C@H](C2)C3(F)F)oc1C(=O)[O-] ZINC000566510202 322127868 /nfs/dbraw/zinc/12/78/68/322127868.db2.gz LSCAUNXZRXNGMF-NURSFMCSSA-N -1 3 299.317 3.324 20 0 CGADHM O=C([O-])c1occc1CN1CCC[C@H](Cc2ccccc2)C1 ZINC000566743987 322136671 /nfs/dbraw/zinc/13/66/71/322136671.db2.gz VQNAVCLIWLXHSB-OAHLLOKOSA-N -1 3 299.370 3.433 20 0 CGADHM Cc1cc([C@H](C)N(C)CCC2CC2)oc1C(=O)[O-] ZINC000567359352 322160650 /nfs/dbraw/zinc/16/06/50/322160650.db2.gz SCSABJZHTWZAPW-JTQLQIEISA-N -1 3 251.326 3.079 20 0 CGADHM Cc1ccc(CN(CC(=O)[O-])C2CCC2)c(Cl)c1 ZINC000567486561 322165207 /nfs/dbraw/zinc/16/52/07/322165207.db2.gz NMULPKTUGCVPND-UHFFFAOYSA-N -1 3 267.756 3.088 20 0 CGADHM CC[C@@H](NCc1ccc(-c2c(F)cccc2F)o1)C(=O)[O-] ZINC000567866136 322180655 /nfs/dbraw/zinc/18/06/55/322180655.db2.gz OTILILPJWJJEJB-GFCCVEGCSA-N -1 3 295.285 3.178 20 0 CGADHM O=C([O-])c1coc(CN2CC[C@H](Cc3ccccc3)C2)c1 ZINC000568060121 322190466 /nfs/dbraw/zinc/19/04/66/322190466.db2.gz RIUGUAJAMPSIQA-CQSZACIVSA-N -1 3 285.343 3.042 20 0 CGADHM C[C@@H]1C[C@H](C)N(Cc2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC000568066824 322191481 /nfs/dbraw/zinc/19/14/81/322191481.db2.gz DBRSPZKCSXFWKN-ZJUUUORDSA-N -1 3 267.756 3.269 20 0 CGADHM CCCCOc1ccc(C(=O)N2CCC[C@H](F)C2)c([O-])c1 ZINC000568138042 322194665 /nfs/dbraw/zinc/19/46/65/322194665.db2.gz GZSIUHJGYNWPEK-LBPRGKRZSA-N -1 3 295.354 3.145 20 0 CGADHM CCC(CC)(CC)CNC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000568291697 322204242 /nfs/dbraw/zinc/20/42/42/322204242.db2.gz RFLLNACEJDUPBB-UHFFFAOYSA-N -1 3 291.395 3.006 20 0 CGADHM CC[C@@H]1Cc2ccccc2CN1Cc1ccc(C(=O)[O-])o1 ZINC000568891728 322226701 /nfs/dbraw/zinc/22/67/01/322226701.db2.gz XKTZPTLGSAKOGE-CQSZACIVSA-N -1 3 285.343 3.315 20 0 CGADHM CCOc1cccc([C@H](C)NCc2ncccc2[O-])c1 ZINC000569171783 322237774 /nfs/dbraw/zinc/23/77/74/322237774.db2.gz KXHJKCXAEGNRCR-LBPRGKRZSA-N -1 3 272.348 3.037 20 0 CGADHM Cc1cc(C(=O)Nc2ccnn2CCC(C)C)ccc1[O-] ZINC000570304927 322270409 /nfs/dbraw/zinc/27/04/09/322270409.db2.gz SQWIJNYAOZFTKP-UHFFFAOYSA-N -1 3 287.363 3.196 20 0 CGADHM Cc1ccc(C)c(CN(C)Cc2ncccc2[O-])c1 ZINC000570858959 322284087 /nfs/dbraw/zinc/28/40/87/322284087.db2.gz ILLQNALJATYHHS-UHFFFAOYSA-N -1 3 256.349 3.036 20 0 CGADHM COc1cc(C(C)=O)ccc1SCc1ncccc1[O-] ZINC000570890784 322284811 /nfs/dbraw/zinc/28/48/11/322284811.db2.gz ISWXBVOORDHKGG-UHFFFAOYSA-N -1 3 289.356 3.291 20 0 CGADHM C[C@@H]1C[C@@H](C(=O)[O-])CN(C/C=C\c2ccc(F)cc2F)C1 ZINC000571752926 322307040 /nfs/dbraw/zinc/30/70/40/322307040.db2.gz XPMOTTVCWFXRTC-XFKWNRGUSA-N -1 3 295.329 3.021 20 0 CGADHM O=C([O-])CC1(CN2CCSC[C@@H]2c2ccccc2)CC1 ZINC000572728382 322352054 /nfs/dbraw/zinc/35/20/54/322352054.db2.gz MVTAPTLMWKZAIL-CQSZACIVSA-N -1 3 291.416 3.031 20 0 CGADHM O=C([O-])[C@H]1CCCN(C/C=C\c2ccc(Cl)cc2)C1 ZINC000572850264 322358123 /nfs/dbraw/zinc/35/81/23/322358123.db2.gz KTLPGUUHPGGSMZ-MTMQSLQUSA-N -1 3 279.767 3.150 20 0 CGADHM CC[C@@H](C)[C@@H](C)C(=O)N=c1[nH][n-]c(C)c1-c1ccccc1 ZINC000573001618 322365756 /nfs/dbraw/zinc/36/57/56/322365756.db2.gz QBXGHXPNJLTQTH-VXGBXAGGSA-N -1 3 285.391 3.428 20 0 CGADHM CCc1ccc(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)cc1C ZINC000575328714 322481608 /nfs/dbraw/zinc/48/16/08/322481608.db2.gz XWVDIXZIEKAWAE-UHFFFAOYSA-N -1 3 297.358 3.183 20 0 CGADHM C[C@H]1CCCN1[C@H](C(=O)[O-])c1ccccc1C(F)(F)F ZINC000584118771 327043038 /nfs/dbraw/zinc/04/30/38/327043038.db2.gz LBOUJHIJWDUIIF-CABZTGNLSA-N -1 3 287.281 3.315 20 0 CGADHM CSC[C@@H]1CCCN1Cc1cccc(C(=O)[O-])c1Cl ZINC000399986583 327316185 /nfs/dbraw/zinc/31/61/85/327316185.db2.gz CCYSWJVUQYZNBK-NSHDSACASA-N -1 3 299.823 3.366 20 0 CGADHM Cc1cc(CN2CCS[C@H]3CCCC[C@@H]32)oc1C(=O)[O-] ZINC000582670966 329122654 /nfs/dbraw/zinc/12/26/54/329122654.db2.gz DCFWGROZOUXSCI-STQMWFEESA-N -1 3 295.404 3.146 20 0 CGADHM COc1cccc(Cl)c1CN1C[C@@H](C(=O)[O-])CC[C@H]1C ZINC000397124814 329341742 /nfs/dbraw/zinc/34/17/42/329341742.db2.gz VMMPECQFFKJMDR-MNOVXSKESA-N -1 3 297.782 3.034 20 0 CGADHM C[C@@H]1CN(Cc2ccc(F)c(Cl)c2)C[C@@]1(C)C(=O)[O-] ZINC000583209036 329367052 /nfs/dbraw/zinc/36/70/52/329367052.db2.gz AOIGTQXQIYQYTE-YMTOWFKASA-N -1 3 285.746 3.022 20 0 CGADHM Cc1ccc(CC(=O)Nc2cc(F)ccc2[O-])s1 ZINC000174873437 335167903 /nfs/dbraw/zinc/16/79/03/335167903.db2.gz FPDYRILXPCGZKS-UHFFFAOYSA-N -1 3 265.309 3.082 20 0 CGADHM CCO[C@H](C(=O)Nc1cc(F)ccc1[O-])c1ccccc1 ZINC000174873450 335167966 /nfs/dbraw/zinc/16/79/66/335167966.db2.gz ZOPJNBOTSMEFLL-HNNXBMFYSA-N -1 3 289.306 3.248 20 0 CGADHM CC1(C)[C@@H](C(F)(F)F)CCN1Cc1ccc(C(=O)[O-])o1 ZINC000379933028 335274236 /nfs/dbraw/zinc/27/42/36/335274236.db2.gz AATXWBYCHCMUNH-JTQLQIEISA-N -1 3 291.269 3.141 20 0 CGADHM COc1cc(-c2noc(C3(F)CCCC3)n2)ccc1[O-] ZINC000350583369 335516321 /nfs/dbraw/zinc/51/63/21/335516321.db2.gz RRKVJBZMKCQLRN-UHFFFAOYSA-N -1 3 278.283 3.190 20 0 CGADHM CCc1onc(C)c1[N-]C(=O)c1cnccc1C(F)(F)F ZINC000578203694 335556590 /nfs/dbraw/zinc/55/65/90/335556590.db2.gz ZSBDJJLVTCBIDW-UHFFFAOYSA-N -1 3 299.252 3.212 20 0 CGADHM [O-]c1cccnc1CN[C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000579407720 335744978 /nfs/dbraw/zinc/74/49/78/335744978.db2.gz LREVJNHRTNWTSM-HOCLYGCPSA-N -1 3 298.386 3.045 20 0 CGADHM O=C([O-])c1cccc(CN2CCCCCC2)c1Cl ZINC000382003527 336079679 /nfs/dbraw/zinc/07/96/79/336079679.db2.gz YMMQISSTVNSROK-UHFFFAOYSA-N -1 3 267.756 3.414 20 0 CGADHM CN(Cc1ccc(C(=O)[O-])cc1)C[C@@H]1CCCC1(F)F ZINC000382165452 336083543 /nfs/dbraw/zinc/08/35/43/336083543.db2.gz PLEBYJZKMKNWSA-ZDUSSCGKSA-N -1 3 283.318 3.252 20 0 CGADHM C[C@@H](CCC(C)(C)C)c1nc(-c2cc(=O)[n-]cn2)no1 ZINC000581667284 336121293 /nfs/dbraw/zinc/12/12/93/336121293.db2.gz ZHWBQDDMXPFFDX-VIFPVBQESA-N -1 3 276.340 3.162 20 0 CGADHM C[C@@H]1CCSCCN1Cc1cccc(C(=O)[O-])c1Cl ZINC000385171379 336141364 /nfs/dbraw/zinc/14/13/64/336141364.db2.gz FXSRLZFATCYDCM-SNVBAGLBSA-N -1 3 299.823 3.366 20 0 CGADHM CC(C)(CC(=O)Nc1cccc([O-])c1F)C(F)(F)F ZINC000581981619 336183565 /nfs/dbraw/zinc/18/35/65/336183565.db2.gz PVBZBVSMYBCNSR-UHFFFAOYSA-N -1 3 279.233 3.448 20 0 CGADHM COc1cccc([C@@H](CC(=O)[O-])NCc2ccccc2C)c1 ZINC000426771503 533715372 /nfs/dbraw/zinc/71/53/72/533715372.db2.gz COTQLEIGWLIRCK-QGZVFWFLSA-N -1 3 299.370 3.309 20 0 CGADHM COc1ccccc1-c1nc(-c2ccc([O-])c(OC)c2)no1 ZINC000436698636 533916959 /nfs/dbraw/zinc/91/69/59/533916959.db2.gz RAEJZPCRTICZNX-UHFFFAOYSA-N -1 3 298.298 3.126 20 0 CGADHM C[C@@H]1CC[C@@H](C(=O)Nc2nnc(-c3ccco3)[n-]2)C[C@@H]1C ZINC000448893462 534138758 /nfs/dbraw/zinc/13/87/58/534138758.db2.gz IWXKYYMFPPBLQL-OUAUKWLOSA-N -1 3 288.351 3.076 20 0 CGADHM C[C@@H]1CC[C@@H](C(=O)Nc2nc(-c3ccco3)n[n-]2)C[C@@H]1C ZINC000448893462 534138766 /nfs/dbraw/zinc/13/87/66/534138766.db2.gz IWXKYYMFPPBLQL-OUAUKWLOSA-N -1 3 288.351 3.076 20 0 CGADHM C[C@@H]1CC[C@@H](C(=O)Nc2n[n-]c(-c3ccco3)n2)C[C@@H]1C ZINC000448893462 534138779 /nfs/dbraw/zinc/13/87/79/534138779.db2.gz IWXKYYMFPPBLQL-OUAUKWLOSA-N -1 3 288.351 3.076 20 0 CGADHM Cc1ccc(-c2nc(-c3ccc(N(C)C)cc3)no2)c([O-])c1 ZINC000436890157 534205930 /nfs/dbraw/zinc/20/59/30/534205930.db2.gz DSSLTZUQHDTEGN-UHFFFAOYSA-N -1 3 295.342 3.484 20 0 CGADHM Cc1ccc(C(=O)NC2(Cc3ccccc3)CC2)c([O-])c1 ZINC000436951404 534263274 /nfs/dbraw/zinc/26/32/74/534263274.db2.gz QGZAUIGVXVQHIX-UHFFFAOYSA-N -1 3 281.355 3.206 20 0 CGADHM COC(=O)c1coc(/C=C/c2ccc3cccc([O-])c3n2)c1 ZINC000358200413 534312888 /nfs/dbraw/zinc/31/28/88/534312888.db2.gz COOBZXGMNYFMBR-BQYQJAHWSA-N -1 3 295.294 3.490 20 0 CGADHM O=C([O-])CC1(CNCc2cc(Cl)ccc2F)CCC1 ZINC000426661787 534487301 /nfs/dbraw/zinc/48/73/01/534487301.db2.gz FKDLJBFMDUVRHL-UHFFFAOYSA-N -1 3 285.746 3.214 20 0 CGADHM O=C([O-])[C@@H](NCc1cccc(Cl)c1)c1ccsc1 ZINC000426830175 534515716 /nfs/dbraw/zinc/51/57/16/534515716.db2.gz VVULYUQSNXXHHN-LBPRGKRZSA-N -1 3 281.764 3.317 20 0 CGADHM Cc1cccc(C(=O)NCCC2C[C@@H](C)O[C@H](C)C2)c1[O-] ZINC000436699966 534602192 /nfs/dbraw/zinc/60/21/92/534602192.db2.gz SGPVXXLVYFETFK-CHWSQXEVSA-N -1 3 291.391 3.024 20 0 CGADHM Cc1cccc(C(=O)NCc2ccc(OC(C)C)cc2)c1[O-] ZINC000436961461 534609419 /nfs/dbraw/zinc/60/94/19/534609419.db2.gz UPFLCBKYMJTJEJ-UHFFFAOYSA-N -1 3 299.370 3.418 20 0 CGADHM Cc1cccc(C(=O)N[C@@H]2c3ccccc3C[C@H]2C)c1[O-] ZINC000436843350 534618697 /nfs/dbraw/zinc/61/86/97/534618697.db2.gz ZZDFSZRETWVIRE-WBMJQRKESA-N -1 3 281.355 3.364 20 0 CGADHM Cc1cccc(C(=O)N[C@@H]2[C@H]3CCc4ccccc4[C@@H]23)c1[O-] ZINC000436596555 534618735 /nfs/dbraw/zinc/61/87/35/534618735.db2.gz QVLDASZLSGDSSB-USXIJHARSA-N -1 3 293.366 3.159 20 0 CGADHM Cc1cncc(-c2noc(/C=C/c3cccc([O-])c3)n2)c1 ZINC000435953177 534669760 /nfs/dbraw/zinc/66/97/60/534669760.db2.gz NJJFUIKDMHKATD-AATRIKPKSA-N -1 3 279.299 3.316 20 0 CGADHM COc1ccc(C(=O)N2CCCC(C)(C)CC2)c([O-])c1 ZINC000087658499 523628977 /nfs/dbraw/zinc/62/89/77/523628977.db2.gz PWXILYJIRURRQO-UHFFFAOYSA-N -1 3 277.364 3.053 20 0 CGADHM CCc1cc(C(=O)Nc2c(C)[nH]nc2C(F)F)ccc1[O-] ZINC000291688618 523775260 /nfs/dbraw/zinc/77/52/60/523775260.db2.gz NTNLVTYDTKLVGX-UHFFFAOYSA-N -1 3 295.289 3.176 20 0 CGADHM CC(=O)CCC(C)(C)c1nc(-c2ccc([O-])cc2)no1 ZINC000436874098 526414503 /nfs/dbraw/zinc/41/45/03/526414503.db2.gz UHQCGBAFGADRGO-UHFFFAOYSA-N -1 3 274.320 3.089 20 0 CGADHM CC(=O)c1ccc(C(=O)Nc2ccc(C)cc2)cc1[O-] ZINC000436850845 527267201 /nfs/dbraw/zinc/26/72/01/527267201.db2.gz IZOBIWFXCJZMRE-UHFFFAOYSA-N -1 3 269.300 3.156 20 0 CGADHM O=[S@@](Cc1ccc(F)cc1Cl)c1ccc([O-])cc1 ZINC000108085928 527421565 /nfs/dbraw/zinc/42/15/65/527421565.db2.gz ZTAMXIVXBZKVKB-GOSISDBHSA-N -1 3 284.739 3.493 20 0 CGADHM CCO[C@@H](CCNC(=O)c1ccccc1[O-])C1CCCC1 ZINC000436578449 527729923 /nfs/dbraw/zinc/72/99/23/527729923.db2.gz VTEUTUUKPLUMHK-INIZCTEOSA-N -1 3 291.391 3.107 20 0 CGADHM CCN(C)c1ccc(C=Cc2cc(=O)[n-]c(C3CC3)n2)cn1 ZINC000414068774 527866103 /nfs/dbraw/zinc/86/61/03/527866103.db2.gz ISEOUIPDIXMDIU-XBXARRHUSA-N -1 3 296.374 3.081 20 0 CGADHM CCC[C@@H]1[C@H](C)CCCN1C(=O)c1cc(OC)ccc1[O-] ZINC000175290642 527878300 /nfs/dbraw/zinc/87/83/00/527878300.db2.gz UIGDBBBTUDUARQ-IUODEOHRSA-N -1 3 291.391 3.442 20 0 CGADHM CC(C)c1cc(-c2nc(-c3ccc([O-])cc3)no2)cc(=O)[nH]1 ZINC000436846383 528006175 /nfs/dbraw/zinc/00/61/75/528006175.db2.gz MYGRSEMNGSNYLB-UHFFFAOYSA-N -1 3 297.314 3.333 20 0 CGADHM CC(C)c1cc(C(=O)NCCF)c([O-])c(C(C)C)c1 ZINC000437683991 528027753 /nfs/dbraw/zinc/02/77/53/528027753.db2.gz BVFVEXPQSYLRCQ-UHFFFAOYSA-N -1 3 267.344 3.338 20 0 CGADHM CC(C)c1ccc(C(=O)N[C@@H]2[C@@H]3CCC[C@@H]32)c([O-])c1 ZINC000436820321 528077358 /nfs/dbraw/zinc/07/73/58/528077358.db2.gz GUSZTTBCYVALNK-JJLQDPRZSA-N -1 3 259.349 3.044 20 0 CGADHM CCOc1cc(C=Cc2cc(=O)[n-]c(C3CC3)n2)ccc1O ZINC000436934140 528199887 /nfs/dbraw/zinc/19/98/87/528199887.db2.gz RVRLOJQVXCHXSY-CLTKARDFSA-N -1 3 298.342 3.334 20 0 CGADHM CC(C)[C@@H](CC(=O)[O-])NCc1cccc(Cl)c1F ZINC000426833409 528425916 /nfs/dbraw/zinc/42/59/16/528425916.db2.gz LQVOYHWUCWJJHW-LLVKDONJSA-N -1 3 273.735 3.068 20 0 CGADHM CCOc1ccc(CNC(=O)c2ccc(C)c(C)c2[O-])cc1 ZINC000436761051 528454438 /nfs/dbraw/zinc/45/44/38/528454438.db2.gz HIUAVMLSVCJPPC-UHFFFAOYSA-N -1 3 299.370 3.338 20 0 CGADHM CCOCC(C)(C)NC(=O)c1ccc(C(C)C)cc1[O-] ZINC000436974593 528577976 /nfs/dbraw/zinc/57/79/76/528577976.db2.gz ZVRCJJVJKRLKII-UHFFFAOYSA-N -1 3 279.380 3.061 20 0 CGADHM CCC(C)(C)OCCN=c1[n-]cc(C(F)(F)F)s1 ZINC000413372516 528582041 /nfs/dbraw/zinc/58/20/41/528582041.db2.gz OOEKZVILWQZMPS-UHFFFAOYSA-N -1 3 282.331 3.201 20 0 CGADHM CCCOc1cc(C)ccc1CNC(=O)c1cccc([O-])c1 ZINC000357293152 528617847 /nfs/dbraw/zinc/61/78/47/528617847.db2.gz BFXADXLXDMTVFV-UHFFFAOYSA-N -1 3 299.370 3.419 20 0 CGADHM CCCc1cccc(CNc2ccc3c(c2)C(=O)[N-]C3=O)c1 ZINC000428340932 528638673 /nfs/dbraw/zinc/63/86/73/528638673.db2.gz SRULXPIAQGNJGZ-UHFFFAOYSA-N -1 3 294.354 3.135 20 0 CGADHM CC(C)[C@@H]1CCC[C@@H](NC(=O)Cc2ccc([O-])c(F)c2)C1 ZINC000448911142 528678653 /nfs/dbraw/zinc/67/86/53/528678653.db2.gz OOATYLYJWSLYNX-ZIAGYGMSSA-N -1 3 293.382 3.405 20 0 CGADHM CC(C)[C@@H]1CCN(C(=O)c2ccc3c(c2[O-])CCCC3)C1 ZINC000436975013 528697761 /nfs/dbraw/zinc/69/77/61/528697761.db2.gz FQCJTWYQVJVGTM-CQSZACIVSA-N -1 3 287.403 3.389 20 0 CGADHM CC(C)[C@@H]1CCN1C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436686517 528704595 /nfs/dbraw/zinc/70/45/95/528704595.db2.gz FRUQFSCDFOTZLZ-HNNXBMFYSA-N -1 3 273.376 3.142 20 0 CGADHM CCCC[C@@H]1CCC[C@@H]1NC(=O)c1ccc(O)cc1[O-] ZINC000436535399 528868708 /nfs/dbraw/zinc/86/87/08/528868708.db2.gz ZUJFLQNIZICUNW-RISCZKNCSA-N -1 3 277.364 3.187 20 0 CGADHM CC(C)[C@H](C(=O)[O-])[C@@H](C)NCc1cccc(Cl)c1F ZINC000424615702 528930668 /nfs/dbraw/zinc/93/06/68/528930668.db2.gz FAXIPZIKILAQDM-SKDRFNHKSA-N -1 3 287.762 3.314 20 0 CGADHM CCC1(CC)[C@H](NC(=O)c2ccc([O-])c(C)c2)C[C@@H]1OC ZINC000436940219 529105788 /nfs/dbraw/zinc/10/57/88/529105788.db2.gz VDWQSLVHRVBWOO-CABCVRRESA-N -1 3 291.391 3.024 20 0 CGADHM CC[C@@H]1CCCC[C@H]1NC(=O)Cc1ccc([O-])c(F)c1 ZINC000448691033 529288988 /nfs/dbraw/zinc/28/89/88/529288988.db2.gz OGJTYJZTBRQWHL-TZMCWYRMSA-N -1 3 279.355 3.159 20 0 CGADHM CC[C@H](CC(F)F)C(=O)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000411453128 529318124 /nfs/dbraw/zinc/31/81/24/529318124.db2.gz JUMKGBAJMJTLMU-SNVBAGLBSA-N -1 3 293.317 3.119 20 0 CGADHM CCC(CC)[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000485445670 535080551 /nfs/dbraw/zinc/08/05/51/535080551.db2.gz YVFZSQMBYCGGAX-UHFFFAOYSA-N -1 3 296.219 3.460 20 0 CGADHM CC(C)CO[N-]C(=O)[C@H](Cc1ccccc1)C(C)C ZINC000750231801 573102099 /nfs/dbraw/zinc/10/20/99/573102099.db2.gz FJPPVYDMNNEQFM-OAHLLOKOSA-N -1 3 263.381 3.205 20 0 CGADHM O=c1[n-]c(Oc2ccc(F)cc2F)nc2ccccc21 ZINC000750530668 571772986 /nfs/dbraw/zinc/77/29/86/571772986.db2.gz PVRSHGCEVYFKAQ-UHFFFAOYSA-N -1 3 274.226 3.406 20 0 CGADHM O=C(OCc1cscn1)c1cc2ccsc2[n-]1 ZINC000728320100 571800914 /nfs/dbraw/zinc/80/09/14/571800914.db2.gz YXVLMAKRRRCCCM-UHFFFAOYSA-N -1 3 264.331 3.043 20 0 CGADHM O=C(N[C@H]1CCC[C@H]1F)c1cc([O-])c2ccccc2c1 ZINC000340824016 571883958 /nfs/dbraw/zinc/88/39/58/571883958.db2.gz NPICHVPOALGLRJ-KGLIPLIRSA-N -1 3 273.307 3.166 20 0 CGADHM Cc1ccc(CNc2ccc(-c3nnn[n-]3)cc2F)c(C)c1 ZINC000737341278 572338098 /nfs/dbraw/zinc/33/80/98/572338098.db2.gz FGUYTZDIBACUIR-UHFFFAOYSA-N -1 3 297.337 3.235 20 0 CGADHM Cc1ccc(CNc2ccc(-c3nn[n-]n3)cc2F)c(C)c1 ZINC000737341278 572338099 /nfs/dbraw/zinc/33/80/99/572338099.db2.gz FGUYTZDIBACUIR-UHFFFAOYSA-N -1 3 297.337 3.235 20 0 CGADHM Cc1cccc([C@@H](C)CNc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737391215 572339710 /nfs/dbraw/zinc/33/97/10/572339710.db2.gz YCAPXUNTZHCGEY-ZDUSSCGKSA-N -1 3 293.374 3.391 20 0 CGADHM Cc1cccc([C@@H](C)CNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737391215 572339714 /nfs/dbraw/zinc/33/97/14/572339714.db2.gz YCAPXUNTZHCGEY-ZDUSSCGKSA-N -1 3 293.374 3.391 20 0 CGADHM Cc1ccccc1CN(C)[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000738771608 572392439 /nfs/dbraw/zinc/39/24/39/572392439.db2.gz RFHAWAYDPJDWBN-MRXNPFEDSA-N -1 3 287.334 3.392 20 0 CGADHM O=C([O-])[C@@H](c1ccc(F)cc1)N1CCCc2ccccc2C1 ZINC000739519141 572418625 /nfs/dbraw/zinc/41/86/25/572418625.db2.gz VXHKSSWDEPTTHJ-QGZVFWFLSA-N -1 3 299.345 3.400 20 0 CGADHM CN(CCNCc1cc(-c2ccccc2)cs1)C(=O)[O-] ZINC000739699169 572421964 /nfs/dbraw/zinc/42/19/64/572421964.db2.gz QTVFZTNVSGLJMM-UHFFFAOYSA-N -1 3 290.388 3.115 20 0 CGADHM Cc1ccc(NC(=O)c2ncoc2C(C)C)c([O-])c1 ZINC000731875368 572430858 /nfs/dbraw/zinc/43/08/58/572430858.db2.gz ZNOLRDCWSMPMAG-UHFFFAOYSA-N -1 3 260.293 3.064 20 0 CGADHM O=C([O-])c1ccc(CN2CC[C@@H](c3cccc(F)c3)C2)o1 ZINC000740124601 572433355 /nfs/dbraw/zinc/43/33/55/572433355.db2.gz WWXYYSYWRYOEFX-GFCCVEGCSA-N -1 3 289.306 3.106 20 0 CGADHM O=C([O-])c1ccoc1CN1CC[C@H](c2ccccc2F)C1 ZINC000740248492 572437879 /nfs/dbraw/zinc/43/78/79/572437879.db2.gz ATXUOHOZYOXGSW-NSHDSACASA-N -1 3 289.306 3.106 20 0 CGADHM CC[C@@H]1C[C@H](C)CN1Cn1[n-]c(C(C)(C)C)nc1=S ZINC000744439596 572451411 /nfs/dbraw/zinc/45/14/11/572451411.db2.gz AACVUFYMCVARQK-WDEREUQCSA-N -1 3 282.457 3.316 20 0 CGADHM Cc1ccc(-c2nc(CO[N-]C(=O)C(C)(C)C)cs2)o1 ZINC000732805512 572484281 /nfs/dbraw/zinc/48/42/81/572484281.db2.gz DUOLKACERSMUGF-UHFFFAOYSA-N -1 3 294.376 3.305 20 0 CGADHM O=C(Nc1cccc(Br)c1)c1cccc([O-])c1 ZINC000019509341 572486732 /nfs/dbraw/zinc/48/67/32/572486732.db2.gz DPMGJUIABNPYEE-UHFFFAOYSA-N -1 3 292.132 3.407 20 0 CGADHM C[C@H]([N-]C(=O)C(F)(F)c1ccc(F)cc1)c1cccnc1 ZINC000733124935 572516711 /nfs/dbraw/zinc/51/67/11/572516711.db2.gz QZQOMIAMGTVUHS-JTQLQIEISA-N -1 3 294.276 3.190 20 0 CGADHM CCCOc1cc(C=Cc2nccc(=O)[n-]2)ccc1OC ZINC000742219607 572559252 /nfs/dbraw/zinc/55/92/52/572559252.db2.gz CPUVWARVSUMHDB-ALCCZGGFSA-N -1 3 286.331 3.150 20 0 CGADHM O=C([N-]CCCC(F)(F)F)C(F)(F)c1ccc(F)cc1 ZINC000743778794 572683456 /nfs/dbraw/zinc/68/34/56/572683456.db2.gz PSQQXHBDVPWNKM-UHFFFAOYSA-N -1 3 299.214 3.376 20 0 CGADHM C[C@H](OC(=O)c1ccc([O-])cc1O)c1cc(F)ccc1F ZINC000744497591 572759713 /nfs/dbraw/zinc/75/97/13/572759713.db2.gz GPAIGZXXXIVQHC-QMMMGPOBSA-N -1 3 294.253 3.294 20 0 CGADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)cc1F)C(C)(C)C ZINC000736025319 572762250 /nfs/dbraw/zinc/76/22/50/572762250.db2.gz FZBQCOJZHDMKJW-VIFPVBQESA-N -1 3 277.347 3.100 20 0 CGADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)cc1F)C(C)(C)C ZINC000736025319 572762254 /nfs/dbraw/zinc/76/22/54/572762254.db2.gz FZBQCOJZHDMKJW-VIFPVBQESA-N -1 3 277.347 3.100 20 0 CGADHM C[C@@H](N(C)c1ccc(-c2nnn[n-]2)c(Cl)c1)C(C)(C)C ZINC000736096459 572768089 /nfs/dbraw/zinc/76/80/89/572768089.db2.gz MKUOXLAUAINTIU-SECBINFHSA-N -1 3 293.802 3.391 20 0 CGADHM C[C@@H](N(C)c1ccc(-c2nn[n-]n2)c(Cl)c1)C(C)(C)C ZINC000736096459 572768092 /nfs/dbraw/zinc/76/80/92/572768092.db2.gz MKUOXLAUAINTIU-SECBINFHSA-N -1 3 293.802 3.391 20 0 CGADHM CCC(CC)Nc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000736346149 572783827 /nfs/dbraw/zinc/78/38/27/572783827.db2.gz SFODEOSUHIDRGX-UHFFFAOYSA-N -1 3 282.351 3.015 20 0 CGADHM CCC(CC)Nc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000736346149 572783829 /nfs/dbraw/zinc/78/38/29/572783829.db2.gz SFODEOSUHIDRGX-UHFFFAOYSA-N -1 3 282.351 3.015 20 0 CGADHM CCCCSc1cccc(Cl)c1-c1nnn[n-]1 ZINC000736462198 572794465 /nfs/dbraw/zinc/79/44/65/572794465.db2.gz CAEHPKRBICBWHJ-UHFFFAOYSA-N -1 3 268.773 3.412 20 0 CGADHM CCCCSc1cccc(Cl)c1-c1nn[n-]n1 ZINC000736462198 572794468 /nfs/dbraw/zinc/79/44/68/572794468.db2.gz CAEHPKRBICBWHJ-UHFFFAOYSA-N -1 3 268.773 3.412 20 0 CGADHM C[C@H](c1ccc(C(=O)[O-])o1)N1CC[C@@H](c2ccco2)C1 ZINC000736715991 572806403 /nfs/dbraw/zinc/80/64/03/572806403.db2.gz FROLZNVEBOLGCL-GHMZBOCLSA-N -1 3 275.304 3.121 20 0 CGADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1nc2ccccc2o1 ZINC000737222393 572866041 /nfs/dbraw/zinc/86/60/41/572866041.db2.gz ZYBPJYYDKJZGAW-UHFFFAOYSA-N -1 3 293.286 3.109 20 0 CGADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1nc2ccccc2o1 ZINC000737222393 572866044 /nfs/dbraw/zinc/86/60/44/572866044.db2.gz ZYBPJYYDKJZGAW-UHFFFAOYSA-N -1 3 293.286 3.109 20 0 CGADHM Cc1ccc(NC(=O)c2cc(N)ccc2Cl)c([O-])c1 ZINC000746324932 572866395 /nfs/dbraw/zinc/86/63/95/572866395.db2.gz QZBKIIPQPLSDCU-UHFFFAOYSA-N -1 3 276.723 3.189 20 0 CGADHM C[C@@H](Cc1ccc(F)cc1)C(=O)Nc1cc(F)ccc1[O-] ZINC000748854376 572986926 /nfs/dbraw/zinc/98/69/26/572986926.db2.gz REEIKZUIOPRXGQ-JTQLQIEISA-N -1 3 291.297 3.488 20 0 CGADHM Cc1ccccc1[C@H]([N-]C(=O)C(F)(F)C(F)F)C1CC1 ZINC000749389993 572996677 /nfs/dbraw/zinc/99/66/77/572996677.db2.gz JCIVDBIBSIMLJV-LLVKDONJSA-N -1 3 289.272 3.463 20 0 CGADHM C[C@@H](C[N-]C(=O)C(F)(F)C(F)F)Sc1ccccc1 ZINC000749402362 572999497 /nfs/dbraw/zinc/99/94/97/572999497.db2.gz MLUOBFUUBFJMDT-QMMMGPOBSA-N -1 3 295.301 3.184 20 0 CGADHM CC(C)(C)c1cnc(COC(=O)c2ccc(F)cc2[O-])o1 ZINC000750168252 573096743 /nfs/dbraw/zinc/09/67/43/573096743.db2.gz FDECVCIUVCZFCM-UHFFFAOYSA-N -1 3 293.294 3.174 20 0 CGADHM O=C([O-])c1cccc(CN2CCC[C@H]2c2ccc[nH]2)c1 ZINC000821552011 598210326 /nfs/dbraw/zinc/21/03/26/598210326.db2.gz LLJOLNJSUZCVQM-HNNXBMFYSA-N -1 3 270.332 3.050 20 0 CGADHM Clc1cccc(CNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737575339 599303901 /nfs/dbraw/zinc/30/39/01/599303901.db2.gz RQOQXUCJFWTHAI-UHFFFAOYSA-N -1 3 285.738 3.132 20 0 CGADHM c1cnc(N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c(-c2nnn[n-]2)c1 ZINC000823809021 599435603 /nfs/dbraw/zinc/43/56/03/599435603.db2.gz HRCRNWRNTCOOFO-YNEHKIRRSA-N -1 3 298.394 3.033 20 0 CGADHM c1cnc(N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c(-c2nn[n-]n2)c1 ZINC000823809021 599435605 /nfs/dbraw/zinc/43/56/05/599435605.db2.gz HRCRNWRNTCOOFO-YNEHKIRRSA-N -1 3 298.394 3.033 20 0 CGADHM CC(C)CCN(C)c1c(Cl)cccc1-c1nnn[n-]1 ZINC000820076627 599487408 /nfs/dbraw/zinc/48/74/08/599487408.db2.gz PMHYOPHJNWWAEK-UHFFFAOYSA-N -1 3 279.775 3.002 20 0 CGADHM CC(C)CCN(C)c1c(Cl)cccc1-c1nn[n-]n1 ZINC000820076627 599487411 /nfs/dbraw/zinc/48/74/11/599487411.db2.gz PMHYOPHJNWWAEK-UHFFFAOYSA-N -1 3 279.775 3.002 20 0 CGADHM CC(C)Oc1ccccc1CN[C@H](C(=O)[O-])c1ccccc1 ZINC000315663563 599759948 /nfs/dbraw/zinc/75/99/48/599759948.db2.gz VKICARLRJZMPCP-KRWDZBQOSA-N -1 3 299.370 3.389 20 0 CGADHM CCCCN1Cc2cccc(N[C@H](CC)C(=O)[O-])c2C1 ZINC000736995711 600155902 /nfs/dbraw/zinc/15/59/02/600155902.db2.gz PXSIFTDNJTZTII-CQSZACIVSA-N -1 3 276.380 3.077 20 0 CGADHM O=C([O-])c1ccc(OCCN2C3CCC2CC3)c(Cl)c1 ZINC000833322158 600817886 /nfs/dbraw/zinc/81/78/86/600817886.db2.gz XQEDSKOCTWPSJP-UHFFFAOYSA-N -1 3 295.766 3.044 20 0 CGADHM C/C(=C/CN1CC[C@H](C)C[C@@H]1c1ccco1)C(=O)[O-] ZINC000825735016 601179137 /nfs/dbraw/zinc/17/91/37/601179137.db2.gz MPWHGJFKHJZKJX-BAJBZYGVSA-N -1 3 263.337 3.084 20 0 CGADHM Cc1cccc(CN(C)Cc2ccc(C(=O)[O-])c(F)c2)c1 ZINC000234311183 601620645 /nfs/dbraw/zinc/62/06/45/601620645.db2.gz YDVNHUXHBTXJLB-UHFFFAOYSA-N -1 3 287.334 3.464 20 0 CGADHM Cc1cccc(C)c1CN[C@H](C(=O)[O-])c1ccccc1F ZINC000832964498 602178538 /nfs/dbraw/zinc/17/85/38/602178538.db2.gz LJMWUYUVRGMWET-INIZCTEOSA-N -1 3 287.334 3.358 20 0 CGADHM Cc1ccc2c(c1)CC[C@@H]2NCc1ccc(NC(=O)[O-])nc1 ZINC000830446877 603544820 /nfs/dbraw/zinc/54/48/20/603544820.db2.gz XSATXWASXVFWKU-HNNXBMFYSA-N -1 3 297.358 3.257 20 0 CGADHM C[C@@H](CSc1ccccc1-c1nnn[n-]1)C(F)(F)F ZINC000824449546 607657598 /nfs/dbraw/zinc/65/75/98/607657598.db2.gz NYTFUVNRWHNGFH-ZETCQYMHSA-N -1 3 288.298 3.157 20 0 CGADHM C[C@@H](CSc1ccccc1-c1nn[n-]n1)C(F)(F)F ZINC000824449546 607657600 /nfs/dbraw/zinc/65/76/00/607657600.db2.gz NYTFUVNRWHNGFH-ZETCQYMHSA-N -1 3 288.298 3.157 20 0 CGADHM C[C@@H](CSc1ccc(-c2nnn[n-]2)cc1)C(F)(F)F ZINC000824447684 607657671 /nfs/dbraw/zinc/65/76/71/607657671.db2.gz ARXFVRKYXHWBNQ-ZETCQYMHSA-N -1 3 288.298 3.157 20 0 CGADHM C[C@@H](CSc1ccc(-c2nn[n-]n2)cc1)C(F)(F)F ZINC000824447684 607657672 /nfs/dbraw/zinc/65/76/72/607657672.db2.gz ARXFVRKYXHWBNQ-ZETCQYMHSA-N -1 3 288.298 3.157 20 0 CGADHM C[C@@H](Oc1ccc(CN(C)Cc2ccccc2)cc1)C(=O)[O-] ZINC000077253109 604512477 /nfs/dbraw/zinc/51/24/77/604512477.db2.gz PDIDVHKFSBHQEH-CQSZACIVSA-N -1 3 299.370 3.171 20 0 CGADHM O=C([O-])c1cc(CN2CCCCC[C@H]2c2ccncc2)c[nH]1 ZINC000833779832 604517448 /nfs/dbraw/zinc/51/74/48/604517448.db2.gz OEGRSMFGZGLRDW-INIZCTEOSA-N -1 3 299.374 3.225 20 0 CGADHM CC(C)CN(CCC(=O)[O-])Cc1cc(F)c(F)cc1F ZINC000833486477 604577340 /nfs/dbraw/zinc/57/73/40/604577340.db2.gz JVZFBLQGQYQBIR-UHFFFAOYSA-N -1 3 289.297 3.037 20 0 CGADHM CN(Cc1cc(F)cc(F)c1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000833694625 604644727 /nfs/dbraw/zinc/64/47/27/604644727.db2.gz WNUDLFIHDFKMKX-OAHLLOKOSA-N -1 3 291.297 3.223 20 0 CGADHM O=c1cc(C=Cc2ccnn2C2CCC2)nc(C2CC2)[n-]1 ZINC000899372006 620678570 /nfs/dbraw/zinc/67/85/70/620678570.db2.gz ASOSMAHIPKSPHG-VOTSOKGWSA-N -1 3 282.347 3.152 20 0 CGADHM CCC(CC)(CN[C@@H](C)c1cccnc1Cl)NC(=O)[O-] ZINC000826560958 605078009 /nfs/dbraw/zinc/07/80/09/605078009.db2.gz DTYOTRYBDKXLEV-JTQLQIEISA-N -1 3 299.802 3.212 20 0 CGADHM CN(C(=O)[O-])C1CCN(Cc2cc3ccccc3o2)CC1 ZINC000827890010 605277542 /nfs/dbraw/zinc/27/75/42/605277542.db2.gz NOAFYAXJIGEIDS-UHFFFAOYSA-N -1 3 288.347 3.007 20 0 CGADHM C[C@H](c1ccc(F)c(F)c1)N1C[C@H](CNC(=O)[O-])C[C@H]1C ZINC000833833000 605888330 /nfs/dbraw/zinc/88/83/30/605888330.db2.gz WAYACAPNPZOOGP-MXWKQRLJSA-N -1 3 298.333 3.004 20 0 CGADHM Cc1cccc(CSc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822304363 606329070 /nfs/dbraw/zinc/32/90/70/606329070.db2.gz UWWZQLOWYNJWBP-UHFFFAOYSA-N -1 3 282.372 3.467 20 0 CGADHM Cc1cccc(CSc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822304363 606329072 /nfs/dbraw/zinc/32/90/72/606329072.db2.gz UWWZQLOWYNJWBP-UHFFFAOYSA-N -1 3 282.372 3.467 20 0 CGADHM CCC[C@H]1C[C@@H]1Nc1nc2ccccc2cc1-c1nnn[n-]1 ZINC000821039081 606419782 /nfs/dbraw/zinc/41/97/82/606419782.db2.gz ACOBOZKZTLHWNG-HZMBPMFUSA-N -1 3 294.362 3.015 20 0 CGADHM CCC[C@H]1C[C@@H]1Nc1nc2ccccc2cc1-c1nn[n-]n1 ZINC000821039081 606419784 /nfs/dbraw/zinc/41/97/84/606419784.db2.gz ACOBOZKZTLHWNG-HZMBPMFUSA-N -1 3 294.362 3.015 20 0 CGADHM Clc1ccc(NC(C2CC2)C2CC2)c(-c2nnn[n-]2)c1 ZINC000822578855 606446944 /nfs/dbraw/zinc/44/69/44/606446944.db2.gz RHDRQGZEGKZMDK-UHFFFAOYSA-N -1 3 289.770 3.121 20 0 CGADHM Clc1ccc(NC(C2CC2)C2CC2)c(-c2nn[n-]n2)c1 ZINC000822578855 606446945 /nfs/dbraw/zinc/44/69/45/606446945.db2.gz RHDRQGZEGKZMDK-UHFFFAOYSA-N -1 3 289.770 3.121 20 0 CGADHM C[C@H](Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C1CC1 ZINC000820456806 606448151 /nfs/dbraw/zinc/44/81/51/606448151.db2.gz WBMATIHYCOEGFY-ZETCQYMHSA-N -1 3 297.284 3.096 20 0 CGADHM C[C@H](Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C1CC1 ZINC000820456806 606448153 /nfs/dbraw/zinc/44/81/53/606448153.db2.gz WBMATIHYCOEGFY-ZETCQYMHSA-N -1 3 297.284 3.096 20 0 CGADHM Cc1cc(Cl)ccc1NCc1ccc(-c2nnn[n-]2)cc1 ZINC000822201979 606636092 /nfs/dbraw/zinc/63/60/92/606636092.db2.gz FENUTGOXVYPRBD-UHFFFAOYSA-N -1 3 299.765 3.441 20 0 CGADHM Cc1cc(Cl)ccc1NCc1ccc(-c2nn[n-]n2)cc1 ZINC000822201979 606636093 /nfs/dbraw/zinc/63/60/93/606636093.db2.gz FENUTGOXVYPRBD-UHFFFAOYSA-N -1 3 299.765 3.441 20 0 CGADHM Cc1ccc(NCc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000822259259 606637271 /nfs/dbraw/zinc/63/72/71/606637271.db2.gz RFPWLIKBJZWIPD-UHFFFAOYSA-N -1 3 299.765 3.441 20 0 CGADHM Cc1ccc(NCc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000822259259 606637272 /nfs/dbraw/zinc/63/72/72/606637272.db2.gz RFPWLIKBJZWIPD-UHFFFAOYSA-N -1 3 299.765 3.441 20 0 CGADHM CC[C@@H](C)CSc1ccc(-c2nnn[n-]2)cc1F ZINC000820869805 606705028 /nfs/dbraw/zinc/70/50/28/606705028.db2.gz IZLPSHSPTRGYPM-MRVPVSSYSA-N -1 3 266.345 3.144 20 0 CGADHM CC[C@@H](C)CSc1ccc(-c2nn[n-]n2)cc1F ZINC000820869805 606705029 /nfs/dbraw/zinc/70/50/29/606705029.db2.gz IZLPSHSPTRGYPM-MRVPVSSYSA-N -1 3 266.345 3.144 20 0 CGADHM COCC[C@@H](C)S[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821685451 606695090 /nfs/dbraw/zinc/69/50/90/606695090.db2.gz DFIAWEIZVCWUHF-MNOVXSKESA-N -1 3 292.408 3.086 20 0 CGADHM COCC[C@@H](C)S[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821685451 606695091 /nfs/dbraw/zinc/69/50/91/606695091.db2.gz DFIAWEIZVCWUHF-MNOVXSKESA-N -1 3 292.408 3.086 20 0 CGADHM Cc1ccc(Cl)c(NCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822239761 606777090 /nfs/dbraw/zinc/77/70/90/606777090.db2.gz CQCXMWYHZRYYCM-UHFFFAOYSA-N -1 3 299.765 3.441 20 0 CGADHM Cc1ccc(Cl)c(NCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822239761 606777091 /nfs/dbraw/zinc/77/70/91/606777091.db2.gz CQCXMWYHZRYYCM-UHFFFAOYSA-N -1 3 299.765 3.441 20 0 CGADHM Cl/C=C(\Cl)CSc1cccc(-c2nnn[n-]2)c1 ZINC000822563776 606869135 /nfs/dbraw/zinc/86/91/35/606869135.db2.gz OIQSRDKFTAIRKL-YVMONPNESA-N -1 3 287.175 3.278 20 0 CGADHM Cl/C=C(\Cl)CSc1cccc(-c2nn[n-]n2)c1 ZINC000822563776 606869137 /nfs/dbraw/zinc/86/91/37/606869137.db2.gz OIQSRDKFTAIRKL-YVMONPNESA-N -1 3 287.175 3.278 20 0 CGADHM c1sc(C2CCC2)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC000823743362 606976763 /nfs/dbraw/zinc/97/67/63/606976763.db2.gz YZCUFRKOLNNWLB-UHFFFAOYSA-N -1 3 283.360 3.258 20 0 CGADHM c1sc(C2CCC2)nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC000823743362 606976765 /nfs/dbraw/zinc/97/67/65/606976765.db2.gz YZCUFRKOLNNWLB-UHFFFAOYSA-N -1 3 283.360 3.258 20 0 CGADHM Cc1ccc(-c2nnn[n-]2)c(N[C@H](C)c2ccccc2C)n1 ZINC000822215221 607226659 /nfs/dbraw/zinc/22/66/59/607226659.db2.gz RNYVMJVYQSZGBM-GFCCVEGCSA-N -1 3 294.362 3.052 20 0 CGADHM Cc1ccc(-c2nn[n-]n2)c(N[C@H](C)c2ccccc2C)n1 ZINC000822215221 607226660 /nfs/dbraw/zinc/22/66/60/607226660.db2.gz RNYVMJVYQSZGBM-GFCCVEGCSA-N -1 3 294.362 3.052 20 0 CGADHM Clc1ccc(Cn2ccc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000826352024 607890957 /nfs/dbraw/zinc/89/09/57/607890957.db2.gz KACSZGNNLPQJEN-UHFFFAOYSA-N -1 3 294.145 3.023 20 0 CGADHM Clc1ccc(Cn2ccc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000826352024 607890958 /nfs/dbraw/zinc/89/09/58/607890958.db2.gz KACSZGNNLPQJEN-UHFFFAOYSA-N -1 3 294.145 3.023 20 0 CGADHM c1cc(-c2nn[n-]n2)ccc1N[C@H]1CC12CCCCC2 ZINC000826514142 608195133 /nfs/dbraw/zinc/19/51/33/608195133.db2.gz IRGKUSSQZIOIBQ-ZDUSSCGKSA-N -1 3 269.352 3.001 20 0 CGADHM CCc1ccc(NCc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000825718115 608751876 /nfs/dbraw/zinc/75/18/76/608751876.db2.gz WFHLVGNEJKYJBG-UHFFFAOYSA-N -1 3 293.374 3.350 20 0 CGADHM CCc1ccc(NCc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000825718115 608751878 /nfs/dbraw/zinc/75/18/78/608751878.db2.gz WFHLVGNEJKYJBG-UHFFFAOYSA-N -1 3 293.374 3.350 20 0 CGADHM CSc1ccccc1COc1cccc(-c2nnn[n-]2)c1 ZINC000826231516 609280755 /nfs/dbraw/zinc/28/07/55/609280755.db2.gz OKOMMZJOUJPMPS-UHFFFAOYSA-N -1 3 298.371 3.168 20 0 CGADHM CSc1ccccc1COc1cccc(-c2nn[n-]n2)c1 ZINC000826231516 609280757 /nfs/dbraw/zinc/28/07/57/609280757.db2.gz OKOMMZJOUJPMPS-UHFFFAOYSA-N -1 3 298.371 3.168 20 0 CGADHM Cc1ccc(C(=O)N2C[C@@H](C)Oc3cc(C)ccc32)c([O-])c1 ZINC000175841304 617975970 /nfs/dbraw/zinc/97/59/70/617975970.db2.gz FMWRHLBUKTZDLO-CYBMUJFWSA-N -1 3 297.354 3.437 20 0 CGADHM CC(C)c1ccc(C(=O)N2CC(Cc3ccoc3)C2)c([O-])c1 ZINC000890571996 617661217 /nfs/dbraw/zinc/66/12/17/617661217.db2.gz OYRZUBDXBGRNTK-UHFFFAOYSA-N -1 3 299.370 3.423 20 0 CGADHM Cc1csc(CNC[C@@H](C(=O)[O-])C2CCCCCC2)n1 ZINC000900048092 620751889 /nfs/dbraw/zinc/75/18/89/620751889.db2.gz CQLBWAIBWPZLRU-CYBMUJFWSA-N -1 3 296.436 3.212 20 0 CGADHM Cc1cccc(C(=O)Nc2ccc(F)c([C@H](C)O)c2)c1[O-] ZINC000804800050 617844681 /nfs/dbraw/zinc/84/46/81/617844681.db2.gz LYZCQRWDOPKCML-JTQLQIEISA-N -1 3 289.306 3.145 20 0 CGADHM CC[C@@]1(C(=O)[O-])CCCN(Cc2ccsc2Cl)C1 ZINC000308346371 618211159 /nfs/dbraw/zinc/21/11/59/618211159.db2.gz AXOCUAMAGBIWQS-CYBMUJFWSA-N -1 3 287.812 3.478 20 0 CGADHM CCCCC1(NC(=O)c2ccc(C(C)=O)c([O-])c2)CC1 ZINC000889526857 618630828 /nfs/dbraw/zinc/63/08/28/618630828.db2.gz VKLKDZVBPRVVMM-UHFFFAOYSA-N -1 3 275.348 3.047 20 0 CGADHM CC(C)=C[C@@H]1[C@H](C(=O)[N-]OCCC(F)(F)F)C1(C)C ZINC000162974509 618884643 /nfs/dbraw/zinc/88/46/43/618884643.db2.gz RLNPLVCYULSEPW-NXEZZACHSA-N -1 3 279.302 3.225 20 0 CGADHM Cc1ccc([C@@H](C)[N-]C(=O)C(F)(F)C(F)F)cc1 ZINC000175924607 618971091 /nfs/dbraw/zinc/97/10/91/618971091.db2.gz DZVAOBCJMSOUDN-MRVPVSSYSA-N -1 3 263.234 3.073 20 0 CGADHM O=C(NOCc1ccccc1)c1ccc2c(c1[O-])CCCC2 ZINC000184916534 619056222 /nfs/dbraw/zinc/05/62/22/619056222.db2.gz OWHWROMAUTUEHZ-UHFFFAOYSA-N -1 3 297.354 3.133 20 0 CGADHM CSc1cccc(C)c1NC([O-])=NO[C@H]1CCCCO1 ZINC000185715877 619064517 /nfs/dbraw/zinc/06/45/17/619064517.db2.gz LXWZUAIPPLRIMX-LBPRGKRZSA-N -1 3 296.392 3.297 20 0 CGADHM CSc1cccc(C)c1NC(=O)[N-]O[C@H]1CCCCO1 ZINC000185715877 619064518 /nfs/dbraw/zinc/06/45/18/619064518.db2.gz LXWZUAIPPLRIMX-LBPRGKRZSA-N -1 3 296.392 3.297 20 0 CGADHM COC(C)(C)CCOC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000189135296 619090072 /nfs/dbraw/zinc/09/00/72/619090072.db2.gz LEVIKNUOQSIWHI-UHFFFAOYSA-N -1 3 280.151 3.293 20 0 CGADHM C[C@@H]1CCN(C(=O)c2ccc(O)cc2[O-])[C@@H]1c1ccccc1 ZINC000894302716 619476713 /nfs/dbraw/zinc/47/67/13/619476713.db2.gz ZFSSRWZGEQXWKD-PXAZEXFGSA-N -1 3 297.354 3.321 20 0 CGADHM C[C@H](CN(C)Cc1ccc(Oc2ccccc2)o1)C(=O)[O-] ZINC000263461899 620320414 /nfs/dbraw/zinc/32/04/14/620320414.db2.gz BWYKXIFFOVNQOC-GFCCVEGCSA-N -1 3 289.331 3.224 20 0 CGADHM C[C@H](CN1CCn2cccc2[C@H]1C)C(=O)c1ccc([O-])cc1 ZINC000929190624 620539978 /nfs/dbraw/zinc/53/99/78/620539978.db2.gz HAPGITLDCBVKQL-ZIAGYGMSSA-N -1 3 298.386 3.089 20 0 CGADHM CCCCSCCC(=O)[N-]Oc1ccc(F)cc1 ZINC000898573082 620596924 /nfs/dbraw/zinc/59/69/24/620596924.db2.gz HFMRBEFEVOBUFX-UHFFFAOYSA-N -1 3 271.357 3.159 20 0 CGADHM O=C(CCCC(=O)c1ccccc1)[N-]OC1CCCC1 ZINC000901329518 620856195 /nfs/dbraw/zinc/85/61/95/620856195.db2.gz LOAKXHLHQRJCBP-UHFFFAOYSA-N -1 3 275.348 3.030 20 0 CGADHM CC(C)n1cncc1C=Cc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000901530936 620915608 /nfs/dbraw/zinc/91/56/08/620915608.db2.gz JZXQZQWDXDSDIR-ARJAWSKDSA-N -1 3 298.268 3.149 20 0 CGADHM CC(C)(C)c1cnc(CNCCCCCC(=O)[O-])s1 ZINC000901558067 620928681 /nfs/dbraw/zinc/92/86/81/620928681.db2.gz DVJQOBXBRNBOJM-UHFFFAOYSA-N -1 3 284.425 3.175 20 0 CGADHM O=C([O-])CC[C@H]1CCCN(Cc2cnc(C3CC3)s2)C1 ZINC000901551036 620934757 /nfs/dbraw/zinc/93/47/57/620934757.db2.gz BDBFVZKQJSSBDQ-LLVKDONJSA-N -1 3 294.420 3.097 20 0 CGADHM Cc1ccc(C)c(CN2CC3(CCC3)[C@](F)(C(=O)[O-])C2)c1 ZINC000901917276 621061820 /nfs/dbraw/zinc/06/18/20/621061820.db2.gz YOMHNXAFZCUAET-QGZVFWFLSA-N -1 3 291.366 3.082 20 0 CGADHM 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/nfs/dbraw/zinc/59/12/97/629591297.db2.gz XEVCYWGSNCNCCB-NSHDSACASA-N -1 3 267.394 3.045 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)CCc1cccc(Cl)c1 ZINC000794867312 629591666 /nfs/dbraw/zinc/59/16/66/629591666.db2.gz YEMZMWYEXTVEKR-NSHDSACASA-N -1 3 269.772 3.367 20 0 CGADHM Cc1ccc(CC(=O)[N-]OCc2cccc(Cl)c2)cc1 ZINC000119948505 629803339 /nfs/dbraw/zinc/80/33/39/629803339.db2.gz OXBDYXHXTFNBNT-UHFFFAOYSA-N -1 3 289.762 3.439 20 0 CGADHM O=C(OCCSc1ccc(F)cc1)c1ccc([O-])cc1 ZINC000797564738 629961280 /nfs/dbraw/zinc/96/12/80/629961280.db2.gz GSNBYSSJSROTNV-UHFFFAOYSA-N -1 3 292.331 3.480 20 0 CGADHM COc1ccc(Cl)cc1C=Cc1nc(C)cc(=O)[n-]1 ZINC000806574603 630568253 /nfs/dbraw/zinc/56/82/53/630568253.db2.gz SKKOFMGBYBDVMN-ZZXKWVIFSA-N -1 3 276.723 3.323 20 0 CGADHM C[C@]1(CCNC(=O)c2ccccc2[O-])CC1(Cl)Cl ZINC000836916642 634826740 /nfs/dbraw/zinc/82/67/40/634826740.db2.gz SCDNFZNOPLJRGC-LBPRGKRZSA-N -1 3 288.174 3.096 20 0 CGADHM CC(=O)c1cccc(NC(=O)C=Cc2cccc(F)c2)c1[O-] ZINC000808188378 630629660 /nfs/dbraw/zinc/62/96/60/630629660.db2.gz URCAXZUWYRXRIS-CMDGGOBGSA-N -1 3 299.301 3.386 20 0 CGADHM O=C(OCC(F)F)c1cc2cc(Cl)sc2[n-]1 ZINC000810544452 630889938 /nfs/dbraw/zinc/88/99/38/630889938.db2.gz UMFIDSDJUYFXPS-UHFFFAOYSA-N -1 3 265.668 3.305 20 0 CGADHM Cc1cc([C@H](C)OC(=O)c2cc3ccsc3[n-]2)no1 ZINC000810788911 630944682 /nfs/dbraw/zinc/94/46/82/630944682.db2.gz BXIHMWHMBLZLNY-QMMMGPOBSA-N -1 3 276.317 3.444 20 0 CGADHM CC1(C(=O)COC(=O)c2cc3cc(Cl)sc3[n-]2)CC1 ZINC000811395073 631062176 /nfs/dbraw/zinc/06/21/76/631062176.db2.gz UAOXYRLEKPLCSB-UHFFFAOYSA-N -1 3 297.763 3.409 20 0 CGADHM CC[C@@H](CC(=O)[N-]OC1CCC1)c1ccc(C)cc1 ZINC000812791155 631310162 /nfs/dbraw/zinc/31/01/62/631310162.db2.gz PXAXZLRISLDRRE-ZDUSSCGKSA-N -1 3 261.365 3.479 20 0 CGADHM CC(C)OCCO[N-]C(=O)CCCC1CCCCC1 ZINC000812803048 631317007 /nfs/dbraw/zinc/31/70/07/631317007.db2.gz QKOGMPOQGSQXAP-UHFFFAOYSA-N -1 3 271.401 3.210 20 0 CGADHM O=C([N-]Cc1ccc2sccc2c1)C(F)(F)C(F)F ZINC000813256745 631400798 /nfs/dbraw/zinc/40/07/98/631400798.db2.gz JYVCAYFOAUVRTO-UHFFFAOYSA-N -1 3 291.269 3.418 20 0 CGADHM O=C(Nc1c([O-])cccc1Cl)c1cccc(Cl)n1 ZINC000816768940 632049178 /nfs/dbraw/zinc/04/91/78/632049178.db2.gz NUGVLQBFRYDARN-UHFFFAOYSA-N -1 3 283.114 3.346 20 0 CGADHM O=C([N-]c1nccs1)c1nc(Cl)sc1Cl ZINC000816812651 632053545 /nfs/dbraw/zinc/05/35/45/632053545.db2.gz WEBBXHBDLWSGAN-UHFFFAOYSA-N -1 3 280.161 3.159 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)CCc1ccc([C@H]2C[C@@H]2C)o1 ZINC000816975260 632064626 /nfs/dbraw/zinc/06/46/26/632064626.db2.gz DSFXXPLVKKVRJH-OBJOEFQTSA-N -1 3 279.380 3.430 20 0 CGADHM O=C(CCCOc1cccc2ccccc21)[N-]OCC1CC1 ZINC000817350123 632130095 /nfs/dbraw/zinc/13/00/95/632130095.db2.gz VUZMRNVOJXLSGG-UHFFFAOYSA-N -1 3 299.370 3.457 20 0 CGADHM O=C(Cc1cc(Cl)ccc1Cl)[N-]OCCC1CC1 ZINC000817387834 632135654 /nfs/dbraw/zinc/13/56/54/632135654.db2.gz GEBZNROPERKHQW-UHFFFAOYSA-N -1 3 288.174 3.384 20 0 CGADHM CC[C@H](C)[C@@H](C)N(C(=O)c1ccc(N)cc1[O-])C1CC1 ZINC000817937719 632237782 /nfs/dbraw/zinc/23/77/82/632237782.db2.gz VCOHDGQDEHDFFO-WDEREUQCSA-N -1 3 276.380 3.014 20 0 CGADHM Cc1ccccc1[C@H](NC(=O)c1ccc(N)cc1[O-])C1CC1 ZINC000817937631 632238148 /nfs/dbraw/zinc/23/81/48/632238148.db2.gz YOCQWYMRRFKQET-QGZVFWFLSA-N -1 3 296.370 3.164 20 0 CGADHM CCCC[C@@H](NC(=O)c1ccc(N)cc1[O-])C1CCC1 ZINC000817942889 632241626 /nfs/dbraw/zinc/24/16/26/632241626.db2.gz HOVSBUGBGYGLFU-CQSZACIVSA-N -1 3 276.380 3.063 20 0 CGADHM CCCO[N-]C(=O)C[C@@H](C)Cc1ccc(Cl)cc1 ZINC000844086241 635818520 /nfs/dbraw/zinc/81/85/20/635818520.db2.gz WDAMDMVAMFQHIQ-NSHDSACASA-N -1 3 269.772 3.367 20 0 CGADHM O=C(/C=C\c1ccco1)Nc1c([O-])cccc1Cl ZINC000820509142 632639894 /nfs/dbraw/zinc/63/98/94/632639894.db2.gz BHOBCJUBVTYAIS-SREVYHEPSA-N -1 3 263.680 3.291 20 0 CGADHM C[C@]1(CC(=O)[N-]OCc2ccccc2)CC1(Cl)Cl ZINC000822232409 632887884 /nfs/dbraw/zinc/88/78/84/632887884.db2.gz HQZBIMOSEFQLGI-LBPRGKRZSA-N -1 3 288.174 3.208 20 0 CGADHM CC[C@@H](Nc1nccc(C)c1-c1nnn[n-]1)c1ccccc1 ZINC000825147583 633332609 /nfs/dbraw/zinc/33/26/09/633332609.db2.gz KBLDRRAIRDMMEX-CYBMUJFWSA-N -1 3 294.362 3.133 20 0 CGADHM CC[C@@H](Nc1nccc(C)c1-c1nn[n-]n1)c1ccccc1 ZINC000825147583 633332610 /nfs/dbraw/zinc/33/26/10/633332610.db2.gz KBLDRRAIRDMMEX-CYBMUJFWSA-N -1 3 294.362 3.133 20 0 CGADHM C[C@]1(CC(=O)[N-]OC2CCCCC2)CC1(Cl)Cl ZINC000829053297 633685241 /nfs/dbraw/zinc/68/52/41/633685241.db2.gz XTPYWFVIAQQYMT-NSHDSACASA-N -1 3 280.195 3.341 20 0 CGADHM C[C@H]1CCC[C@]1(C)C(=O)[N-]OCc1ccc(F)cc1 ZINC000829219123 633713354 /nfs/dbraw/zinc/71/33/54/633713354.db2.gz MPHWRRSXEAZWAW-NHYWBVRUSA-N -1 3 265.328 3.200 20 0 CGADHM COc1ccc(C(=O)[O-])c2c1CN([C@H](C)CC(C)C)CC2 ZINC000871621124 633805072 /nfs/dbraw/zinc/80/50/72/633805072.db2.gz UEINWLGECRIHSX-GFCCVEGCSA-N -1 3 291.391 3.186 20 0 CGADHM Cc1ccc(CO[N-]C(=O)CC(C)(C)C)nc1Cl ZINC000871753686 633852283 /nfs/dbraw/zinc/85/22/83/633852283.db2.gz WUBJMWLBCZLNIN-UHFFFAOYSA-N -1 3 270.760 3.027 20 0 CGADHM Cc1cccnc1-n1[n-]c(-c2ccccc2)c(C(C)C)c1=O ZINC000871954984 633924997 /nfs/dbraw/zinc/92/49/97/633924997.db2.gz HGBLKWNAATXFDL-HNNXBMFYSA-N -1 3 293.370 3.413 20 0 CGADHM C[C@@H](N[C@H](C)c1cccc([O-])c1F)c1ccccn1 ZINC000872017147 633936814 /nfs/dbraw/zinc/93/68/14/633936814.db2.gz VGNMMEPXLVUKII-GHMZBOCLSA-N -1 3 260.312 3.338 20 0 CGADHM Cc1ccccc1[C@@H](CO)N[C@H](C)c1cccc([O-])c1F ZINC000872039252 633959289 /nfs/dbraw/zinc/95/92/89/633959289.db2.gz FIWDXEPUWWKBKP-IUODEOHRSA-N -1 3 289.350 3.224 20 0 CGADHM C[C@H](N[C@H](CO)c1cccc(F)c1)c1cccc([O-])c1F ZINC000872044363 633968239 /nfs/dbraw/zinc/96/82/39/633968239.db2.gz AKOOOQSDNFZLEX-IINYFYTJSA-N -1 3 293.313 3.055 20 0 CGADHM CCc1nn(C)cc1N[C@H](C)c1cccc([O-])c1F ZINC000872058767 633980971 /nfs/dbraw/zinc/98/09/71/633980971.db2.gz YPXGYGUZWMZBQI-SECBINFHSA-N -1 3 263.316 3.000 20 0 CGADHM CCC[C@@H](C)c1noc(Cc2ccc([O-])c(F)c2)n1 ZINC000834562292 634183083 /nfs/dbraw/zinc/18/30/83/634183083.db2.gz ITORKQGFOKNNIX-SECBINFHSA-N -1 3 264.300 3.409 20 0 CGADHM C[C@H]1CCCC[C@]1(C)NC(=O)c1nnc2ccccc2c1[O-] ZINC000837254661 634877710 /nfs/dbraw/zinc/87/77/10/634877710.db2.gz RJMRQDBWGMXWGU-GTNSWQLSSA-N -1 3 299.374 3.034 20 0 CGADHM C[C@H](OC(=O)c1ccc([O-])cc1)C(=O)C1CCCCC1 ZINC000837336709 634890669 /nfs/dbraw/zinc/89/06/69/634890669.db2.gz GOUFDWGQZSZVMN-NSHDSACASA-N -1 3 276.332 3.087 20 0 CGADHM CC1(C)CCC(C)(C)N(C(=O)c2ccc(N)cc2[O-])C1 ZINC000876994487 634945632 /nfs/dbraw/zinc/94/56/32/634945632.db2.gz ICWHSXIQOJGBFN-UHFFFAOYSA-N -1 3 276.380 3.015 20 0 CGADHM Cc1cccc(CO[N-]C(=O)CCC2CCCCC2)n1 ZINC000842028790 635259077 /nfs/dbraw/zinc/25/90/77/635259077.db2.gz SAVSMYSXFXLVCL-UHFFFAOYSA-N -1 3 276.380 3.298 20 0 CGADHM CC(C)(C)CC(=O)[N-]OCCCCC1CCOCC1 ZINC000842061025 635270807 /nfs/dbraw/zinc/27/08/07/635270807.db2.gz HIWVRUJVNLTRKJ-UHFFFAOYSA-N -1 3 271.401 3.067 20 0 CGADHM CC(C)(C)CC(=O)[N-]OC[C@@H]1C[C@H]1c1ccccc1 ZINC000842061885 635271621 /nfs/dbraw/zinc/27/16/21/635271621.db2.gz RVKVABBHKSRPJA-KBPBESRZSA-N -1 3 261.365 3.274 20 0 CGADHM CCCCCc1nnc([N-]C(=O)c2cc(C)co2)s1 ZINC000878087606 635351003 /nfs/dbraw/zinc/35/10/03/635351003.db2.gz SCDIIGHKMZMJIA-UHFFFAOYSA-N -1 3 279.365 3.425 20 0 CGADHM CCCO[N-]C(=O)CCCc1ccc(SC)cc1 ZINC000844089279 635819310 /nfs/dbraw/zinc/81/93/10/635819310.db2.gz NKSSGEJREKPFLW-UHFFFAOYSA-N -1 3 267.394 3.189 20 0 CGADHM C[C@@H]1SCC[C@H]1NC(=O)c1cc2sccc2c([O-])c1 ZINC000844104347 635822613 /nfs/dbraw/zinc/82/26/13/635822613.db2.gz BFCJCQPXXFBEHE-GZMMTYOYSA-N -1 3 293.413 3.231 20 0 CGADHM C[C@@H]1SCC[C@H]1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000844104769 635822674 /nfs/dbraw/zinc/82/26/74/635822674.db2.gz CZHOFECDUPKQLK-IINYFYTJSA-N -1 3 287.384 3.169 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)CC(C)(C)CC(F)(F)F ZINC000880090167 635910950 /nfs/dbraw/zinc/91/09/50/635910950.db2.gz HNKFHSPTKJEKLS-VIFPVBQESA-N -1 3 269.307 3.449 20 0 CGADHM Cc1coc(C(=O)[N-]c2nnc(CCC(C)C)s2)c1 ZINC000880659853 636032355 /nfs/dbraw/zinc/03/23/55/636032355.db2.gz UKDQKAHIVLZNKM-UHFFFAOYSA-N -1 3 279.365 3.280 20 0 CGADHM O=C([O-])[C@@H]1CN(Cc2ccc(CF)cc2)Cc2ccccc21 ZINC000846270857 636170577 /nfs/dbraw/zinc/17/05/77/636170577.db2.gz OOOJMYPOMCYRCG-QGZVFWFLSA-N -1 3 299.345 3.340 20 0 CGADHM CCc1cccc(C(=O)N2CCC[C@]3(CC3(F)F)C2)c1[O-] ZINC000846580169 636206309 /nfs/dbraw/zinc/20/63/09/636206309.db2.gz YLAPEPXBXZFXTO-HNNXBMFYSA-N -1 3 295.329 3.216 20 0 CGADHM CCc1cccc(C(=O)N2CCC[C@@]3(CC3(F)F)C2)c1[O-] ZINC000846580170 636207409 /nfs/dbraw/zinc/20/74/09/636207409.db2.gz YLAPEPXBXZFXTO-OAHLLOKOSA-N -1 3 295.329 3.216 20 0 CGADHM [O-]c1coc2cc(OCC[C@H]3CCCC3(F)F)ccc12 ZINC000883015161 636506569 /nfs/dbraw/zinc/50/65/69/636506569.db2.gz LFHRUWUOQYFNRI-SNVBAGLBSA-N -1 3 282.286 3.466 20 0 CGADHM CC(C)CCOc1ccc(C=Cc2nccc(=O)[n-]2)cc1 ZINC000131788172 636750321 /nfs/dbraw/zinc/75/03/21/636750321.db2.gz VGGAUQXOLWCSCO-VMPITWQZSA-N -1 3 284.359 3.365 20 0 CGADHM CC(C)CO[N-]C(=O)Cc1cccc2ccccc21 ZINC000085263211 636772123 /nfs/dbraw/zinc/77/21/23/636772123.db2.gz UKJMYIZLDNRUIT-UHFFFAOYSA-N -1 3 257.333 3.086 20 0 CGADHM CC[C@@]1(C(=O)[O-])CCCN(Cc2c(F)cccc2F)C1 ZINC000086784912 636785095 /nfs/dbraw/zinc/78/50/95/636785095.db2.gz AWGKKTPSNSPANB-OAHLLOKOSA-N -1 3 283.318 3.042 20 0 CGADHM O=C(OC[C@@H](F)C(F)(F)F)c1cc(Cl)c(Cl)[n-]1 ZINC000800125344 636936098 /nfs/dbraw/zinc/93/60/98/636936098.db2.gz KLOHIBDITJWHLH-RXMQYKEDSA-N -1 3 294.031 3.379 20 0 CGADHM Cc1ccc(-c2cc(C(=O)OC[C@@]3(C)CC3(F)F)n[n-]2)o1 ZINC000851265372 637327580 /nfs/dbraw/zinc/32/75/80/637327580.db2.gz YGLAOMOTYFYJTQ-CYBMUJFWSA-N -1 3 296.273 3.180 20 0 CGADHM Cc1ccc(-c2cc(C(=O)OC[C@@]3(C)CC3(F)F)[n-]n2)o1 ZINC000851265372 637327582 /nfs/dbraw/zinc/32/75/82/637327582.db2.gz YGLAOMOTYFYJTQ-CYBMUJFWSA-N -1 3 296.273 3.180 20 0 CGADHM O=C(c1cc2sccc2c([O-])c1)N1C[C@@H]2CCC[C@@H]2C1 ZINC000890272408 637621840 /nfs/dbraw/zinc/62/18/40/637621840.db2.gz PPBZNQOUMBGRKO-PHIMTYICSA-N -1 3 287.384 3.479 20 0 CGADHM CC(C)(CNC(=O)CCCc1ccc([O-])c(F)c1)C1CC1 ZINC000887373784 637808156 /nfs/dbraw/zinc/80/81/56/637808156.db2.gz SOTOJHPKRPKFCM-UHFFFAOYSA-N -1 3 293.382 3.406 20 0 CGADHM CCCC[C@](C)(F)C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000854467744 638056609 /nfs/dbraw/zinc/05/66/09/638056609.db2.gz KRQCKRPSGHHICH-HNNXBMFYSA-N -1 3 281.327 3.452 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)C[C@@H]1C[C@H]1c1ccc(OC)cc1 ZINC000854603169 638077141 /nfs/dbraw/zinc/07/71/41/638077141.db2.gz UPOBYJCRPYLWCL-INWMFGNUSA-N -1 3 291.391 3.283 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)CC[C@H]1CC1(Cl)Cl ZINC000854603313 638077390 /nfs/dbraw/zinc/07/73/90/638077390.db2.gz VYECWNLSHFPONN-BDAKNGLRSA-N -1 3 268.184 3.054 20 0 CGADHM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[N-]C(=O)C(F)(F)F ZINC000112826016 638126148 /nfs/dbraw/zinc/12/61/48/638126148.db2.gz FUDXGWRSPBTVDO-KXUCPTDWSA-N -1 3 251.292 3.126 20 0 CGADHM O=C(Cc1cccc(C(F)(F)F)c1)[N-]OCC1CCC1 ZINC000856341975 638344894 /nfs/dbraw/zinc/34/48/94/638344894.db2.gz CSWHWXXHEHYXGW-UHFFFAOYSA-N -1 3 287.281 3.096 20 0 CGADHM C[C@H](CC(=O)[N-]OCC1CCC1)c1ccc(F)cc1 ZINC000856346553 638347696 /nfs/dbraw/zinc/34/76/96/638347696.db2.gz FEOWDSSGKGUWDH-LLVKDONJSA-N -1 3 265.328 3.167 20 0 CGADHM Cc1nc(CC(C)C)oc1C(=O)[N-]c1ccnc(F)c1F ZINC000857697555 638556070 /nfs/dbraw/zinc/55/60/70/638556070.db2.gz YMYNDOZINPXDHT-UHFFFAOYSA-N -1 3 295.289 3.107 20 0 CGADHM Cc1cc(Nc2cc(Cl)nc(=O)[n-]2)nn1[C@H](C)C1CC1 ZINC000858480317 638735044 /nfs/dbraw/zinc/73/50/44/638735044.db2.gz QUXDLLMKXLUZQT-MRVPVSSYSA-N -1 3 293.758 3.055 20 0 CGADHM C[C@H](N[C@@H](c1ncccn1)C1CC1)c1cc([O-])cc(F)c1 ZINC000926894975 638822444 /nfs/dbraw/zinc/82/24/44/638822444.db2.gz RPUXTJTULNPBLL-ZUZCIYMTSA-N -1 3 287.338 3.123 20 0 CGADHM C[C@@H](N[C@@H](c1ncccn1)C1CC1)c1cc([O-])cc(F)c1 ZINC000926894974 638822508 /nfs/dbraw/zinc/82/25/08/638822508.db2.gz RPUXTJTULNPBLL-MEBBXXQBSA-N -1 3 287.338 3.123 20 0 CGADHM CC(C)CCO[C@H]1CC[C@H]([N-]C(=O)C(F)(F)F)CC1 ZINC000859322257 639128448 /nfs/dbraw/zinc/12/84/48/639128448.db2.gz NFHCIJCNHCWVPT-XYPYZODXSA-N -1 3 281.318 3.039 20 0 CGADHM C[C@@H]1C[C@H]1COC(=O)CCCc1ccc([O-])c(F)c1 ZINC000859648965 639183139 /nfs/dbraw/zinc/18/31/39/639183139.db2.gz NXGLRRYTKANMQQ-PWSUYJOCSA-N -1 3 266.312 3.053 20 0 CGADHM CCc1onc(C)c1[N-]C(=O)c1cc(C=O)sc1Cl ZINC000935119633 639753034 /nfs/dbraw/zinc/75/30/34/639753034.db2.gz CMSWVPFSCABFHW-UHFFFAOYSA-N -1 3 298.751 3.325 20 0 CGADHM C[C@H](CN(C)Cc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000042705369 639920570 /nfs/dbraw/zinc/92/05/70/639920570.db2.gz NHSSFXOBNQOLLY-MRVPVSSYSA-N -1 3 276.163 3.146 20 0 CGADHM CCC1=C(C(=O)Nc2ccc(Cl)cc2[O-])CCCO1 ZINC000189797484 640208376 /nfs/dbraw/zinc/20/83/76/640208376.db2.gz XBJJSZIFWJBICR-UHFFFAOYSA-N -1 3 281.739 3.459 20 0 CGADHM CCOc1cc(O)ccc1NC(=O)c1cccc(C)c1[O-] ZINC000191006997 640284091 /nfs/dbraw/zinc/28/40/91/640284091.db2.gz AXRVFAGXPCQDRT-UHFFFAOYSA-N -1 3 287.315 3.057 20 0 CGADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1cccc2ccccc21 ZINC000195236565 640575271 /nfs/dbraw/zinc/57/52/71/640575271.db2.gz GPWAMDLSKGMKMX-OAHLLOKOSA-N -1 3 286.331 3.420 20 0 CGADHM O=C([N-]O[C@@H]1CCCCO1)Nc1cccc2ccccc21 ZINC000195236565 640575278 /nfs/dbraw/zinc/57/52/78/640575278.db2.gz GPWAMDLSKGMKMX-OAHLLOKOSA-N -1 3 286.331 3.420 20 0 CGADHM C[C@@]1(C(=O)[O-])CCCN(Cc2cc(Cl)cs2)C1 ZINC000093097101 640755289 /nfs/dbraw/zinc/75/52/89/640755289.db2.gz QDBSDCVKYLSMJU-GFCCVEGCSA-N -1 3 273.785 3.088 20 0 CGADHM CSc1ccccc1[N-]C(=O)c1ccnc(F)c1F ZINC000097865331 640880202 /nfs/dbraw/zinc/88/02/02/640880202.db2.gz QSXAWNHRFXWSOA-UHFFFAOYSA-N -1 3 280.299 3.334 20 0 CGADHM Cc1ccc(O)c(-c2nc3c([n-]2)c(F)c(F)c(F)c3F)n1 ZINC001251035008 805834738 /nfs/dbraw/zinc/83/47/38/805834738.db2.gz OFIUFLQWYKJKAG-UHFFFAOYSA-N -1 3 297.211 3.195 20 0 CGADHM Cc1cc(F)cc(C)c1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC001251668642 805919269 /nfs/dbraw/zinc/91/92/69/805919269.db2.gz ZBKKYVKHCGDFQQ-UHFFFAOYSA-N -1 3 297.326 3.382 20 0 CGADHM CSc1ccc([O-])c(C(=O)N[C@@H]2C[C@H]3CCC[C@@H]32)c1 ZINC001158945682 806025353 /nfs/dbraw/zinc/02/53/53/806025353.db2.gz GMRRCYKIFFVWIN-SUZMYJTESA-N -1 3 277.389 3.033 20 0 CGADHM [O-]c1ccc(Cc2nnc(-c3ccc(F)cc3)o2)cc1F ZINC001252153874 806027095 /nfs/dbraw/zinc/02/70/95/806027095.db2.gz OBMFXGAXWRBHCD-UHFFFAOYSA-N -1 3 288.253 3.311 20 0 CGADHM CCC[C@@H](O)CNc1cc(Cl)cc(Cl)c1[O-] ZINC001252792432 806117496 /nfs/dbraw/zinc/11/74/96/806117496.db2.gz IGOGQKIEBQULHT-MRVPVSSYSA-N -1 3 264.152 3.272 20 0 CGADHM CCC[C@@H](O)CNc1ccc(Cl)c(Cl)c1[O-] ZINC001252792675 806117583 /nfs/dbraw/zinc/11/75/83/806117583.db2.gz FADSJOSFFHHQRN-SSDOTTSWSA-N -1 3 264.152 3.272 20 0 CGADHM Cc1ccc2[n-]cc(C(=O)Nc3ccc(F)cc3)c(=O)c2c1 ZINC001160432160 806271104 /nfs/dbraw/zinc/27/11/04/806271104.db2.gz NSDMRZMDVZKNCV-UHFFFAOYSA-N -1 3 296.301 3.228 20 0 CGADHM Cc1cccc(-c2nnc(-c3ccccc3[O-])o2)c1 ZINC001253612533 806273325 /nfs/dbraw/zinc/27/33/25/806273325.db2.gz JDUQNTCUCSNLQK-UHFFFAOYSA-N -1 3 252.273 3.418 20 0 CGADHM C=COc1ccc(NC(=O)c2cc(OC)ccc2[O-])cc1 ZINC001161304537 806363604 /nfs/dbraw/zinc/36/36/04/806363604.db2.gz WLONMNDMASXYBQ-UHFFFAOYSA-N -1 3 285.299 3.175 20 0 CGADHM O=c1[n-]c(-c2nnc([C@@H]3C[C@@H]3c3ccccc3)o2)ccc1F ZINC001254654497 806475135 /nfs/dbraw/zinc/47/51/35/806475135.db2.gz PSQRWZIKEOINKV-GHMZBOCLSA-N -1 3 297.289 3.247 20 0 CGADHM C[C@H](NC(=O)c1ccc(O)cc1[O-])[C@H]1CCC[C@H](C)C1 ZINC001161933704 806485599 /nfs/dbraw/zinc/48/55/99/806485599.db2.gz QRWROPCBPJHWMS-SRVKXCTJSA-N -1 3 277.364 3.042 20 0 CGADHM CCCCC(=O)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000160662647 799077111 /nfs/dbraw/zinc/07/71/11/799077111.db2.gz XCKKGAFODNDSBV-UHFFFAOYSA-N -1 3 275.270 3.443 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCC(C)(C)C[C@@H]2C)o1 ZINC000358596090 799337090 /nfs/dbraw/zinc/33/70/90/799337090.db2.gz SSIURCPFXHEMSB-CMPLNLGQSA-N -1 3 285.409 3.081 20 0 CGADHM CSC(C)(C)CCN1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000385403360 799426472 /nfs/dbraw/zinc/42/64/72/799426472.db2.gz WUOJVAXQPFFWOK-CQSZACIVSA-N -1 3 293.432 3.202 20 0 CGADHM [O-]c1ccccc1-c1nnc(Cc2ccccc2F)o1 ZINC001255769222 806743408 /nfs/dbraw/zinc/74/34/08/806743408.db2.gz UXYYLVPVIZVHFT-UHFFFAOYSA-N -1 3 270.263 3.172 20 0 CGADHM CC(C)CCC[C@@H](C)NC(=O)c1cc2c(cc1[O-])OCO2 ZINC000436689991 799612057 /nfs/dbraw/zinc/61/20/57/799612057.db2.gz PSBHSNZBZSUYDJ-LLVKDONJSA-N -1 3 293.363 3.066 20 0 CGADHM Cc1ccc(CN2CCC(F)(F)C[C@H]2C)cc1C(=O)[O-] ZINC000701815163 799895265 /nfs/dbraw/zinc/89/52/65/799895265.db2.gz AQNWEOGTSDTDOK-LLVKDONJSA-N -1 3 283.318 3.313 20 0 CGADHM O=C(NCC[C@@H]1CCCS1)c1cc([O-])ccc1Cl ZINC000715976683 800157359 /nfs/dbraw/zinc/15/73/59/800157359.db2.gz SVGSIOXIOWCVFQ-JTQLQIEISA-N -1 3 285.796 3.061 20 0 CGADHM C[C@H](NCc1cccc([O-])c1Cl)c1ccns1 ZINC000716032184 800162165 /nfs/dbraw/zinc/16/21/65/800162165.db2.gz BCFBAPSXGMXPQB-QMMMGPOBSA-N -1 3 268.769 3.353 20 0 CGADHM S=C1Cc2ccc(NC[C@H]3Cc4ccccc4O3)cc2[N-]1 ZINC001163865321 806840779 /nfs/dbraw/zinc/84/07/79/806840779.db2.gz JDLJDHKKYAEJFI-CQSZACIVSA-N -1 3 296.395 3.398 20 0 CGADHM COCCCC[C@H](Nc1cc(=O)[n-]cn1)c1ccccc1 ZINC000893599270 800574572 /nfs/dbraw/zinc/57/45/72/800574572.db2.gz ZMYBIJDMTDPRLS-AWEZNQCLSA-N -1 3 287.363 3.152 20 0 CGADHM C[C@@H]1C[C@@H]1c1nnc(-c2nc3cc(Cl)ccc3[n-]2)o1 ZINC001256627222 806930522 /nfs/dbraw/zinc/93/05/22/806930522.db2.gz WFFZIKSNWMNKDA-SVRRBLITSA-N -1 3 274.711 3.390 20 0 CGADHM C[C@@H]1C[C@H]1c1nnc(-c2nc3cc(Cl)ccc3[n-]2)o1 ZINC001256627220 806930755 /nfs/dbraw/zinc/93/07/55/806930755.db2.gz WFFZIKSNWMNKDA-HTRCEHHLSA-N -1 3 274.711 3.390 20 0 CGADHM COc1ccc(C[C@H](C)N(C)C(=O)c2ccccc2[O-])cc1 ZINC001116447984 802355175 /nfs/dbraw/zinc/35/51/75/802355175.db2.gz DOVFJXXCNKWSEP-ZDUSSCGKSA-N -1 3 299.370 3.104 20 0 CGADHM CC(C)C[C@](C)(CNCc1ncc(Cl)s1)C(=O)[O-] ZINC001120000731 802723121 /nfs/dbraw/zinc/72/31/21/802723121.db2.gz CJCOXMFVCRCXMR-GFCCVEGCSA-N -1 3 290.816 3.023 20 0 CGADHM [O-]c1ccc(-c2ncc3cccnc3n2)c(C(F)(F)F)c1 ZINC001205073439 812849183 /nfs/dbraw/zinc/84/91/83/812849183.db2.gz MOCMPHVPTOKFJT-UHFFFAOYSA-N -1 3 291.232 3.416 20 0 CGADHM Fc1cc(-c2nnn[n-]2)cc(-c2cc(C3CC3)cnc2F)c1 ZINC001243874749 803057394 /nfs/dbraw/zinc/05/73/94/803057394.db2.gz RKAGZJWLKLSBRY-UHFFFAOYSA-N -1 3 299.284 3.084 20 0 CGADHM Fc1cc(-c2nn[n-]n2)cc(-c2cc(C3CC3)cnc2F)c1 ZINC001243874749 803057400 /nfs/dbraw/zinc/05/74/00/803057400.db2.gz RKAGZJWLKLSBRY-UHFFFAOYSA-N -1 3 299.284 3.084 20 0 CGADHM Cc1cn2cc(-c3c([O-])cccc3Cl)cnc2n1 ZINC001244033767 803152809 /nfs/dbraw/zinc/15/28/09/803152809.db2.gz PWEANOYOCUZKIR-UHFFFAOYSA-N -1 3 259.696 3.064 20 0 CGADHM CC(=O)Nc1ncc(C)cc1-c1c([O-])cccc1Cl ZINC001244048932 803160558 /nfs/dbraw/zinc/16/05/58/803160558.db2.gz YDCPKXHRIXTYQG-UHFFFAOYSA-N -1 3 276.723 3.374 20 0 CGADHM c1ccc(N2CCCC2)c(-c2ccc(-c3nnn[n-]3)cc2)c1 ZINC001244183758 803231455 /nfs/dbraw/zinc/23/14/55/803231455.db2.gz VIGJGLDFISTOQF-UHFFFAOYSA-N -1 3 291.358 3.134 20 0 CGADHM c1ccc(N2CCCC2)c(-c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001244183758 803231461 /nfs/dbraw/zinc/23/14/61/803231461.db2.gz VIGJGLDFISTOQF-UHFFFAOYSA-N -1 3 291.358 3.134 20 0 CGADHM CNC(=O)c1cccc(-c2ccc(Cl)cc2[O-])c1 ZINC001244469543 803386146 /nfs/dbraw/zinc/38/61/46/803386146.db2.gz MHLWFMAFIDXXAW-UHFFFAOYSA-N -1 3 261.708 3.072 20 0 CGADHM CCOC(=O)Cc1ccncc1-c1ccc(Cl)cc1[O-] ZINC001244471808 803387713 /nfs/dbraw/zinc/38/77/13/803387713.db2.gz JLFSTMGOBCIBOY-UHFFFAOYSA-N -1 3 291.734 3.213 20 0 CGADHM COC(=O)c1cnc(C)c(-c2ccc(Cl)cc2[O-])c1 ZINC001244471515 803387981 /nfs/dbraw/zinc/38/79/81/803387981.db2.gz HCZFJDGXPPTAGB-UHFFFAOYSA-N -1 3 277.707 3.203 20 0 CGADHM CN1Cc2ccc(-c3ccc(Cl)cc3[O-])cc2C1=O ZINC001244473357 803389403 /nfs/dbraw/zinc/38/94/03/803389403.db2.gz REIYEBHBKLKFDK-UHFFFAOYSA-N -1 3 273.719 3.298 20 0 CGADHM CON(C)C(=O)c1cccc(-c2ccc(Cl)cc2[O-])c1 ZINC001244474321 803389961 /nfs/dbraw/zinc/38/99/61/803389961.db2.gz ZUXPGHYGMILAGI-UHFFFAOYSA-N -1 3 291.734 3.346 20 0 CGADHM CCCNC(=O)c1cccnc1-c1cc(C)c(F)c([O-])c1 ZINC001244508820 803411072 /nfs/dbraw/zinc/41/10/72/803411072.db2.gz XYQACCZRMCTDOU-UHFFFAOYSA-N -1 3 288.322 3.042 20 0 CGADHM COc1nc(-c2cc(C)c(F)c([O-])c2)nc2ccccc21 ZINC001244508856 803411576 /nfs/dbraw/zinc/41/15/76/803411576.db2.gz ZJKHFVKQLNPFDJ-UHFFFAOYSA-N -1 3 284.290 3.459 20 0 CGADHM Cc1cc(-c2ccc3ncoc(=O)c3c2)cc([O-])c1F ZINC001244516312 803414093 /nfs/dbraw/zinc/41/40/93/803414093.db2.gz SOGGLCRZEPVDHX-UHFFFAOYSA-N -1 3 271.247 3.008 20 0 CGADHM Cc1cc(-c2ccc3c(c2)C(=O)N(C)C3)cc([O-])c1F ZINC001244520894 803415287 /nfs/dbraw/zinc/41/52/87/803415287.db2.gz NPIAWCJYNQZVDU-UHFFFAOYSA-N -1 3 271.291 3.092 20 0 CGADHM CSc1cnc(-c2cc(C)c(F)c([O-])c2)cn1 ZINC001244521872 803415307 /nfs/dbraw/zinc/41/53/07/803415307.db2.gz XTLXZNOPCGXJMN-UHFFFAOYSA-N -1 3 250.298 3.019 20 0 CGADHM Cc1cc(-c2ccc(-n3nccn3)cc2)cc([O-])c1F ZINC001244520841 803415419 /nfs/dbraw/zinc/41/54/19/803415419.db2.gz MVRVJDQDLDPVHR-UHFFFAOYSA-N -1 3 269.279 3.087 20 0 CGADHM COc1ccc(C(N)=O)c(-c2cc(C)c([O-])c(Cl)c2)c1 ZINC001244547487 803432055 /nfs/dbraw/zinc/43/20/55/803432055.db2.gz NKLYHOFLSSOFFB-UHFFFAOYSA-N -1 3 291.734 3.129 20 0 CGADHM Cc1cc(Cl)c(N)c(-c2ccc(C)c(-c3nnn[n-]3)c2)c1 ZINC001244590048 803456779 /nfs/dbraw/zinc/45/67/79/803456779.db2.gz PQLOVJOOXDFOGE-UHFFFAOYSA-N -1 3 299.765 3.386 20 0 CGADHM Cc1cc(Cl)c(N)c(-c2ccc(C)c(-c3nn[n-]n3)c2)c1 ZINC001244590048 803456780 /nfs/dbraw/zinc/45/67/80/803456780.db2.gz PQLOVJOOXDFOGE-UHFFFAOYSA-N -1 3 299.765 3.386 20 0 CGADHM CSc1ncc(C)cc1-c1ccc(-c2nnn[n-]2)cc1C ZINC001244883081 803561931 /nfs/dbraw/zinc/56/19/31/803561931.db2.gz VYJDUUQEBDXSHL-UHFFFAOYSA-N -1 3 297.387 3.267 20 0 CGADHM CSc1ncc(C)cc1-c1ccc(-c2nn[n-]n2)cc1C ZINC001244883081 803561934 /nfs/dbraw/zinc/56/19/34/803561934.db2.gz VYJDUUQEBDXSHL-UHFFFAOYSA-N -1 3 297.387 3.267 20 0 CGADHM COc1cc(-c2cccc(-c3nnn[n-]3)c2)ccc1C1CC1 ZINC001244892932 803565515 /nfs/dbraw/zinc/56/55/15/803565515.db2.gz KCIKIJRGGYWMFF-UHFFFAOYSA-N -1 3 292.342 3.420 20 0 CGADHM COc1cc(-c2cccc(-c3nn[n-]n3)c2)ccc1C1CC1 ZINC001244892932 803565517 /nfs/dbraw/zinc/56/55/17/803565517.db2.gz KCIKIJRGGYWMFF-UHFFFAOYSA-N -1 3 292.342 3.420 20 0 CGADHM Cc1cc(-c2nnn[n-]2)ccc1-c1c(F)ccc(F)c1C ZINC001244986413 803605086 /nfs/dbraw/zinc/60/50/86/803605086.db2.gz CJJMLUPCUPZIFO-UHFFFAOYSA-N -1 3 286.285 3.429 20 0 CGADHM Cc1cc(-c2nn[n-]n2)ccc1-c1c(F)ccc(F)c1C ZINC001244986413 803605092 /nfs/dbraw/zinc/60/50/92/803605092.db2.gz CJJMLUPCUPZIFO-UHFFFAOYSA-N -1 3 286.285 3.429 20 0 CGADHM CCOC(=O)Cc1ccncc1-c1cc(Cl)ccc1[O-] ZINC001245051866 803622809 /nfs/dbraw/zinc/62/28/09/803622809.db2.gz JOJOUCGPERALMT-UHFFFAOYSA-N -1 3 291.734 3.213 20 0 CGADHM COc1c(F)c(F)ccc1Nc1ncc(Cl)cc1[O-] ZINC001211889459 814951715 /nfs/dbraw/zinc/95/17/15/814951715.db2.gz QVOATSKSETZHDS-UHFFFAOYSA-N -1 3 286.665 3.471 20 0 CGADHM [O-]c1ccc(-c2cnc(OC(F)(F)F)cn2)c(Cl)c1 ZINC001245080764 803635900 /nfs/dbraw/zinc/63/59/00/803635900.db2.gz XJDAGCUBTKJGHH-UHFFFAOYSA-N -1 3 290.628 3.401 20 0 CGADHM [O-]c1ccc(Nc2c(O)cccc2F)c(F)c1F ZINC001212007446 814965471 /nfs/dbraw/zinc/96/54/71/814965471.db2.gz FLROHIQDUSYSEX-UHFFFAOYSA-N -1 3 255.195 3.259 20 0 CGADHM COC(=O)c1ccc(Nc2ccc([O-])c(F)c2F)c(F)c1 ZINC001212009486 814966806 /nfs/dbraw/zinc/96/68/06/814966806.db2.gz QPOAKVATLKKHAI-UHFFFAOYSA-N -1 3 297.232 3.340 20 0 CGADHM [O-]c1ccc(Nc2ccccc2C2=NCCO2)c(F)c1F ZINC001212016306 814967916 /nfs/dbraw/zinc/96/79/16/814967916.db2.gz JPCHKTROVCCMEX-UHFFFAOYSA-N -1 3 290.269 3.191 20 0 CGADHM CN1CCc2ccc(Nc3ccc([O-])c(F)c3F)cc21 ZINC001212016585 814967936 /nfs/dbraw/zinc/96/79/36/814967936.db2.gz XASKFYNBBVRTHE-UHFFFAOYSA-N -1 3 276.286 3.406 20 0 CGADHM Cc1ccc2[nH]c(-c3ccc(Cc4nnn[n-]4)cc3)cc2c1 ZINC001245571228 803823438 /nfs/dbraw/zinc/82/34/38/803823438.db2.gz JZJVRYNWHVUQLS-UHFFFAOYSA-N -1 3 289.342 3.247 20 0 CGADHM Cc1ccc2[nH]c(-c3ccc(Cc4nn[n-]n4)cc3)cc2c1 ZINC001245571228 803823448 /nfs/dbraw/zinc/82/34/48/803823448.db2.gz JZJVRYNWHVUQLS-UHFFFAOYSA-N -1 3 289.342 3.247 20 0 CGADHM Cc1cnc(Cl)c(C(=O)Nc2cc(F)ccc2[O-])c1 ZINC001138016871 803827373 /nfs/dbraw/zinc/82/73/73/803827373.db2.gz XANNNSVEOHENNF-UHFFFAOYSA-N -1 3 280.686 3.140 20 0 CGADHM c1cc2cccc(-c3cccc(-c4nnn[n-]4)c3)c2o1 ZINC001245616449 803858237 /nfs/dbraw/zinc/85/82/37/803858237.db2.gz CSMPWQGEFQYGRX-UHFFFAOYSA-N -1 3 262.272 3.280 20 0 CGADHM c1cc2cccc(-c3cccc(-c4nn[n-]n4)c3)c2o1 ZINC001245616449 803858244 /nfs/dbraw/zinc/85/82/44/803858244.db2.gz CSMPWQGEFQYGRX-UHFFFAOYSA-N -1 3 262.272 3.280 20 0 CGADHM COc1cc(SC)c(-c2c([O-])cccc2F)cn1 ZINC001245653902 803883579 /nfs/dbraw/zinc/88/35/79/803883579.db2.gz GXZANEAFZCFXBA-UHFFFAOYSA-N -1 3 265.309 3.324 20 0 CGADHM CCOC(=O)c1ccccc1-c1c([O-])cccc1F ZINC001245655244 803887476 /nfs/dbraw/zinc/88/74/76/803887476.db2.gz IGHKWRXNRJGTMQ-UHFFFAOYSA-N -1 3 260.264 3.375 20 0 CGADHM [O-]c1cccc(F)c1-c1ccc(OCC2CC2)nc1 ZINC001245656756 803891095 /nfs/dbraw/zinc/89/10/95/803891095.db2.gz NEIFRYURUGKILJ-UHFFFAOYSA-N -1 3 259.280 3.382 20 0 CGADHM CN(C)Cc1cccc(-c2c(F)ccc([O-])c2Cl)n1 ZINC001245831580 803986448 /nfs/dbraw/zinc/98/64/48/803986448.db2.gz BATSZHSRADMBII-UHFFFAOYSA-N -1 3 280.730 3.308 20 0 CGADHM C[C@@H]1C[C@@H](C)CN(Cc2ccc([O-])c(F)c2F)C1 ZINC001140893011 804543556 /nfs/dbraw/zinc/54/35/56/804543556.db2.gz FVLNSYBLIFFVPC-NXEZZACHSA-N -1 3 255.308 3.148 20 0 CGADHM Nc1ccc(Cl)cc1Nc1cc(=O)[n-]c(C2CC2)n1 ZINC001212427401 815025905 /nfs/dbraw/zinc/02/59/05/815025905.db2.gz MEHWXTURSAZHRB-UHFFFAOYSA-N -1 3 276.727 3.039 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)[C@H]1[C@H](C=C(C)C)C1(C)C ZINC001141518269 804649715 /nfs/dbraw/zinc/64/97/15/804649715.db2.gz KXONWTLCDBOCLU-RWMBFGLXSA-N -1 3 253.386 3.319 20 0 CGADHM CC[C@H]1COCCN1Cc1c(Cl)cc([O-])cc1Cl ZINC001142115093 804696132 /nfs/dbraw/zinc/69/61/32/804696132.db2.gz WSWDISBHAIZEBY-VIFPVBQESA-N -1 3 290.190 3.310 20 0 CGADHM CN(Cc1cnccn1)Cc1c(Cl)cc([O-])cc1Cl ZINC001142114640 804696164 /nfs/dbraw/zinc/69/61/64/804696164.db2.gz MCCKGDNUPNMCNV-UHFFFAOYSA-N -1 3 298.173 3.121 20 0 CGADHM C[C@@H]1CN(Cc2c(Cl)cc([O-])cc2Cl)[C@@H](C)CO1 ZINC001142118074 804696773 /nfs/dbraw/zinc/69/67/73/804696773.db2.gz ANOMXVFRVCGKRJ-DTWKUNHWSA-N -1 3 290.190 3.308 20 0 CGADHM C[C@@H]1CC[C@@H](O)CN1Cc1c(Cl)cc([O-])cc1Cl ZINC001142106127 804696874 /nfs/dbraw/zinc/69/68/74/804696874.db2.gz ZXBOWGPOWOPEJD-RKDXNWHRSA-N -1 3 290.190 3.044 20 0 CGADHM CCCC(C)(C)NC(=O)c1cc(SC)ccc1[O-] ZINC001142612820 804744383 /nfs/dbraw/zinc/74/43/83/804744383.db2.gz BLRMXTBBEONARD-UHFFFAOYSA-N -1 3 267.394 3.423 20 0 CGADHM Nc1ccc2cn(-c3cc(F)cc(F)c3[O-])nc2c1Cl ZINC001212492751 815039790 /nfs/dbraw/zinc/03/97/90/815039790.db2.gz ISRDMIBYKXHUJU-UHFFFAOYSA-N -1 3 295.676 3.245 20 0 CGADHM O=C(C[C@@H]1C[C@@H]2CC[C@H]1C2)Nc1ccc(F)c([O-])c1 ZINC001144305067 804972016 /nfs/dbraw/zinc/97/20/16/804972016.db2.gz ZCRILMGPFYKECI-VWYCJHECSA-N -1 3 263.312 3.296 20 0 CGADHM CCc1cccc(C)c1NC(=S)Nc1cncc([O-])c1 ZINC001248727267 804979102 /nfs/dbraw/zinc/97/91/02/804979102.db2.gz WDENJSMBXCGGDO-UHFFFAOYSA-N -1 3 287.388 3.467 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)Nc1ccc2c(c1)N=NC2 ZINC001144631455 805016978 /nfs/dbraw/zinc/01/69/78/805016978.db2.gz RAJHQIVDUNLSSM-UHFFFAOYSA-N -1 3 285.278 3.310 20 0 CGADHM [O-]c1cc(F)c(CN2CCC23CCCC3)cc1F ZINC001144647596 805021300 /nfs/dbraw/zinc/02/13/00/805021300.db2.gz IBOSPAFXFVOYET-UHFFFAOYSA-N -1 3 253.292 3.189 20 0 CGADHM Cc1ncsc1C(=O)Nc1cc([O-])cc(Cl)c1 ZINC001147386521 805125921 /nfs/dbraw/zinc/12/59/21/805125921.db2.gz SQPDMFSCZGULPU-UHFFFAOYSA-N -1 3 268.725 3.063 20 0 CGADHM Cc1ccc(C(=O)Nc2ccc3c(c2)CCOC3)c([O-])c1 ZINC001147571417 805138721 /nfs/dbraw/zinc/13/87/21/805138721.db2.gz HBVCNPQOTLIPSE-UHFFFAOYSA-N -1 3 283.327 3.026 20 0 CGADHM Cc1noc2ccc(CNC(=O)c3ccc(C)cc3[O-])cc12 ZINC001148506872 805191101 /nfs/dbraw/zinc/19/11/01/805191101.db2.gz CZPJRSLMTAPIRQ-UHFFFAOYSA-N -1 3 296.326 3.080 20 0 CGADHM Cc1ccc(C(=O)Nc2ccccc2-c2cc[nH]n2)c([O-])c1 ZINC001148500063 805191587 /nfs/dbraw/zinc/19/15/87/805191587.db2.gz JSLBKQYXECWXGL-UHFFFAOYSA-N -1 3 293.326 3.343 20 0 CGADHM O=C(Nc1ccc(F)c([O-])c1)c1cc2cccnc2s1 ZINC001149535264 805237448 /nfs/dbraw/zinc/23/74/48/805237448.db2.gz UENHIVJVVRBBBL-UHFFFAOYSA-N -1 3 288.303 3.393 20 0 CGADHM COC(=O)c1cc([N-]c2nnc(C(C)C)o2)c(C)cc1C ZINC001249808967 805254729 /nfs/dbraw/zinc/25/47/29/805254729.db2.gz FGFGKOPXYCBPKU-UHFFFAOYSA-N -1 3 289.335 3.340 20 0 CGADHM CC(=O)c1cccc(O)c1Nc1cccc([O-])c1F ZINC001212552386 815065426 /nfs/dbraw/zinc/06/54/26/815065426.db2.gz PDUZJNWLWJZUOH-UHFFFAOYSA-N -1 3 261.252 3.183 20 0 CGADHM CCc1ccc(C(=O)NC(C)(C)[C@@H]2CCCCO2)c([O-])c1 ZINC001152285804 805342560 /nfs/dbraw/zinc/34/25/60/805342560.db2.gz XVRADMAPCYRTOE-HNNXBMFYSA-N -1 3 291.391 3.032 20 0 CGADHM CCc1ccc(C(=O)NC(C)(C)[C@H]2CCCCO2)c([O-])c1 ZINC001152285805 805342905 /nfs/dbraw/zinc/34/29/05/805342905.db2.gz XVRADMAPCYRTOE-OAHLLOKOSA-N -1 3 291.391 3.032 20 0 CGADHM Cc1ccc(-c2noc(-c3ccc([O-])cn3)n2)c(F)c1F ZINC001212557784 815068575 /nfs/dbraw/zinc/06/85/75/815068575.db2.gz AGPXRPARLQUANZ-UHFFFAOYSA-N -1 3 289.241 3.091 20 0 CGADHM O=C(NC[C@H]1C[C@H](F)C1)c1c([O-])ccc2ccccc21 ZINC001153503869 805399766 /nfs/dbraw/zinc/39/97/66/805399766.db2.gz IQHUKXQJUYNBNG-UMSPYCQHSA-N -1 3 273.307 3.023 20 0 CGADHM O=C([N-]c1ncnc2sccc21)c1nc2ccccc2o1 ZINC001153571783 805402524 /nfs/dbraw/zinc/40/25/24/805402524.db2.gz OPNVJISPEGOVTB-UHFFFAOYSA-N -1 3 296.311 3.085 20 0 CGADHM O=C(c1c(O)cc2ccccc2c1[O-])N1CCC12CCCC2 ZINC001154024147 805427686 /nfs/dbraw/zinc/42/76/86/805427686.db2.gz HDDYBRLEDPHTDN-UHFFFAOYSA-N -1 3 297.354 3.410 20 0 CGADHM O=C(Cc1cc(Cl)cc2ccccc21)[N-]OCC(F)F ZINC001154042829 805429871 /nfs/dbraw/zinc/42/98/71/805429871.db2.gz NUYQVDLHMLNRDC-UHFFFAOYSA-N -1 3 299.704 3.349 20 0 CGADHM Cc1cc2cccnc2c(C(=O)Nc2nc(C)ccc2[O-])c1 ZINC001154195573 805437900 /nfs/dbraw/zinc/43/79/00/805437900.db2.gz WLNHPWMNEHJDAP-UHFFFAOYSA-N -1 3 293.326 3.205 20 0 CGADHM O=c1[nH]c2ccccc2n1CCCc1cc([O-])cc(F)c1 ZINC001250178223 805466957 /nfs/dbraw/zinc/46/69/57/805466957.db2.gz OJCKXHNWQCIHOA-UHFFFAOYSA-N -1 3 286.306 3.219 20 0 CGADHM [O-]c1cc(Nc2ccnn2-c2ccccn2)ccc1Cl ZINC001212590296 815078363 /nfs/dbraw/zinc/07/83/63/815078363.db2.gz FHLOWIKBKNYBFF-UHFFFAOYSA-N -1 3 286.722 3.370 20 0 CGADHM COc1cccnc1Nc1ccc(Cl)c([O-])c1 ZINC001212589353 815078915 /nfs/dbraw/zinc/07/89/15/815078915.db2.gz HDZCGSMHVKMSLE-UHFFFAOYSA-N -1 3 250.685 3.193 20 0 CGADHM NC(=O)c1cc(F)cc(Nc2ccc(Cl)c([O-])c2)c1 ZINC001212593362 815080238 /nfs/dbraw/zinc/08/02/38/815080238.db2.gz NCIVIDRJNGUYDH-UHFFFAOYSA-N -1 3 280.686 3.027 20 0 CGADHM [O-]c1cc(Nc2cc(F)ncc2F)ccc1Cl ZINC001212591433 815080330 /nfs/dbraw/zinc/08/03/30/815080330.db2.gz MQSOPGJAANWZTC-UHFFFAOYSA-N -1 3 256.639 3.462 20 0 CGADHM [O-]c1cc(Nc2cc(F)ccc2CO)ccc1Cl ZINC001212593653 815081128 /nfs/dbraw/zinc/08/11/28/815081128.db2.gz CMVZWVIAALJYGE-UHFFFAOYSA-N -1 3 267.687 3.421 20 0 CGADHM CC[C@@H](OCCNC(=O)c1ccccc1[O-])c1ccccc1 ZINC001165261698 806981971 /nfs/dbraw/zinc/98/19/71/806981971.db2.gz QOFDRRUUZILRLE-QGZVFWFLSA-N -1 3 299.370 3.290 20 0 CGADHM CCOC(=O)c1ccc(C[C@@H](C)NC2=CC=C[CH]2)cc1 ZINC001257151967 807056647 /nfs/dbraw/zinc/05/66/47/807056647.db2.gz RFUWEEROVWIKFN-CYBMUJFWSA-N -1 3 270.352 3.042 20 0 CGADHM Cc1cc(F)c(F)cc1-c1noc(-c2cncc([O-])c2)n1 ZINC001212708244 815109486 /nfs/dbraw/zinc/10/94/86/815109486.db2.gz BUCFDDFNXWOEBP-UHFFFAOYSA-N -1 3 289.241 3.091 20 0 CGADHM O=c1cc(Nc2cccnc2C2CC2)nc(C2CC2)[n-]1 ZINC001212736253 815118405 /nfs/dbraw/zinc/11/84/05/815118405.db2.gz RKAFLFIDUDJHTH-UHFFFAOYSA-N -1 3 268.320 3.076 20 0 CGADHM Cc1cc(CO)cc(Nc2cc(=O)n(-c3ccccc3)[n-]2)c1 ZINC001212753225 815126531 /nfs/dbraw/zinc/12/65/31/815126531.db2.gz GEFUGWAFIXAKDU-UHFFFAOYSA-N -1 3 295.342 3.122 20 0 CGADHM [O-]c1cccnc1CNc1cccc2c1CCCC2 ZINC001169731919 807700122 /nfs/dbraw/zinc/70/01/22/807700122.db2.gz TVCRBOMHLFMWDV-UHFFFAOYSA-N -1 3 254.333 3.278 20 0 CGADHM CC[C@H](C)S(=O)(=O)[N-]c1ccccc1C(F)(F)F ZINC001260724209 807700480 /nfs/dbraw/zinc/70/04/80/807700480.db2.gz VEWPVUHXLSGKPD-QMMMGPOBSA-N -1 3 281.299 3.246 20 0 CGADHM [O-]c1cccnc1CNc1cc(F)cc2[nH]ccc21 ZINC001169732201 807701613 /nfs/dbraw/zinc/70/16/13/807701613.db2.gz IQDAEOSTXMJPTL-UHFFFAOYSA-N -1 3 257.268 3.020 20 0 CGADHM CC(=O)c1ccc([C@H](C)Nc2ccc(=S)[n-]n2)cc1 ZINC001171053718 807973676 /nfs/dbraw/zinc/97/36/76/807973676.db2.gz LPHAWCJMJSEZMS-VIFPVBQESA-N -1 3 273.361 3.141 20 0 CGADHM [O-]c1cccc2sc(Nc3ccc(CCO)cc3)nc21 ZINC001212925617 815185285 /nfs/dbraw/zinc/18/52/85/815185285.db2.gz IIZCUYKXAZJYTA-UHFFFAOYSA-N -1 3 286.356 3.280 20 0 CGADHM [O-]c1cc(Cl)cnc1Nc1ccnc(OCC2CC2)c1 ZINC001213014233 815200063 /nfs/dbraw/zinc/20/00/63/815200063.db2.gz IXYUCIJVGULPQN-UHFFFAOYSA-N -1 3 291.738 3.368 20 0 CGADHM O=c1cc(Nc2ccc(-c3ncc[nH]3)cc2)nc(C2CC2)[n-]1 ZINC001213086742 815230207 /nfs/dbraw/zinc/23/02/07/815230207.db2.gz XQDHSNFGYDRIRW-UHFFFAOYSA-N -1 3 293.330 3.193 20 0 CGADHM CC(C)(C)c1nnc([N-]c2ccc(F)c(F)c2)o1 ZINC001173865185 808723665 /nfs/dbraw/zinc/72/36/65/808723665.db2.gz KIRMJIYIWYOZSM-UHFFFAOYSA-N -1 3 253.252 3.389 20 0 CGADHM CC(=O)Nc1ccccc1[N-]c1noc(C(C)(C)C)n1 ZINC001173991921 808808669 /nfs/dbraw/zinc/80/86/69/808808669.db2.gz LFEZHSQHMHUFNE-UHFFFAOYSA-N -1 3 274.324 3.069 20 0 CGADHM CC(=O)NCc1ccc(Nc2ccc([O-])c(F)c2F)cc1 ZINC001174231132 808915122 /nfs/dbraw/zinc/91/51/22/808915122.db2.gz KFZCCXQUBIEEPR-UHFFFAOYSA-N -1 3 292.285 3.050 20 0 CGADHM CNC(=O)c1ccc(Nc2nc3c(cccc3[O-])s2)cc1 ZINC001174512400 809055705 /nfs/dbraw/zinc/05/57/05/809055705.db2.gz WCPNCDQRRKGUJL-UHFFFAOYSA-N -1 3 299.355 3.105 20 0 CGADHM COc1cc(Nc2cc(F)c([O-])c(F)c2)ccc1O ZINC001174543838 809075616 /nfs/dbraw/zinc/07/56/16/809075616.db2.gz ADHRJFJVCABBAL-UHFFFAOYSA-N -1 3 267.231 3.128 20 0 CGADHM CC(C)(O)c1cncc(Nc2cccc([O-])c2Cl)c1 ZINC001174594074 809096294 /nfs/dbraw/zinc/09/62/94/809096294.db2.gz UNNPGWJDNHBTLH-UHFFFAOYSA-N -1 3 278.739 3.412 20 0 CGADHM [O-]c1cc(Nc2ccc(O)c(F)c2)c(F)cc1F ZINC001174738162 809147215 /nfs/dbraw/zinc/14/72/15/809147215.db2.gz MXWADQQOTJKNFK-UHFFFAOYSA-N -1 3 255.195 3.259 20 0 CGADHM CN1CCN(c2ccc(Nc3ccc([S-])cc3)cc2)CC1 ZINC001174815164 809169731 /nfs/dbraw/zinc/16/97/31/809169731.db2.gz LQHMGVBUYOAISZ-UHFFFAOYSA-N -1 3 299.443 3.471 20 0 CGADHM Cc1cccc(C(=O)Nc2cncc(C(F)F)c2)c1[O-] ZINC001174886591 809189939 /nfs/dbraw/zinc/18/99/39/809189939.db2.gz NXHCFOSQYCZXFN-UHFFFAOYSA-N -1 3 278.258 3.286 20 0 CGADHM [O-]c1cc(F)cnc1Nc1cccc2ncccc21 ZINC001174906686 809196478 /nfs/dbraw/zinc/19/64/78/809196478.db2.gz UBOQRRCRHYEMTE-UHFFFAOYSA-N -1 3 255.252 3.218 20 0 CGADHM CC(C)(C)OCc1ccc(Nc2cnc[n-]c2=O)cc1 ZINC001174911736 809197192 /nfs/dbraw/zinc/19/71/92/809197192.db2.gz WPRQTHJMNPFOPJ-UHFFFAOYSA-N -1 3 273.336 3.241 20 0 CGADHM [O-]c1c(F)cc(Nc2csc3nccnc23)cc1F ZINC001213373593 815272281 /nfs/dbraw/zinc/27/22/81/815272281.db2.gz NEFXXPZGCDUXKH-UHFFFAOYSA-N -1 3 279.271 3.419 20 0 CGADHM [O-]c1c(F)cc(Nc2ccc3c(c2)[C@H](O)CC3)cc1F ZINC001213390817 815275166 /nfs/dbraw/zinc/27/51/66/815275166.db2.gz SJTUQNXKRXDOSH-CQSZACIVSA-N -1 3 277.270 3.394 20 0 CGADHM Cc1cc(N)c(Nc2cc(F)c([O-])c(F)c2)cc1F ZINC001213381749 815273519 /nfs/dbraw/zinc/27/35/19/815273519.db2.gz DTJIHHMCRDSPKH-UHFFFAOYSA-N -1 3 268.238 3.444 20 0 CGADHM [O-]c1c(F)cc(Nc2cc(F)c(F)cc2O)cc1F ZINC001213384356 815274184 /nfs/dbraw/zinc/27/41/84/815274184.db2.gz HUFXRAORRNOSMA-UHFFFAOYSA-N -1 3 273.185 3.398 20 0 CGADHM O=c1[nH]cnc2ccc(Nc3c(F)cc([O-])cc3F)cc12 ZINC001175100600 809271879 /nfs/dbraw/zinc/27/18/79/809271879.db2.gz XMNAYQGDVBCNOS-UHFFFAOYSA-N -1 3 289.241 3.063 20 0 CGADHM COc1ccc(F)c(Nc2cc(=O)[n-]c(C3CC3)n2)c1F ZINC001175116403 809278839 /nfs/dbraw/zinc/27/88/39/809278839.db2.gz QNGORDXDNVGOGR-UHFFFAOYSA-N -1 3 293.273 3.090 20 0 CGADHM Cc1ccc(Nc2ccncc2F)c(Cl)c1[O-] ZINC001175201290 809306334 /nfs/dbraw/zinc/30/63/34/809306334.db2.gz VTJSISQWNODSBT-UHFFFAOYSA-N -1 3 252.676 3.054 20 0 CGADHM CCOc1ccc(Nc2cc(=O)[n-]c(C3CC3)n2)c(F)c1 ZINC001175247341 809323464 /nfs/dbraw/zinc/32/34/64/809323464.db2.gz QIYXRNRYFGNRAY-UHFFFAOYSA-N -1 3 289.310 3.341 20 0 CGADHM Cc1ccc(Nc2c(F)ccc([O-])c2F)c(C)n1 ZINC001175261837 809327896 /nfs/dbraw/zinc/32/78/96/809327896.db2.gz RVHXZPIXPNFRHC-UHFFFAOYSA-N -1 3 250.248 3.426 20 0 CGADHM Nc1cc2cn(-c3c(F)ccc([O-])c3F)nc2cc1Cl ZINC001175267608 809330918 /nfs/dbraw/zinc/33/09/18/809330918.db2.gz CKHZOYHUFYSYAW-UHFFFAOYSA-N -1 3 295.676 3.245 20 0 CGADHM [O-]c1ccc(F)c(Nc2ccc(F)nc2F)c1F ZINC001175266171 809331173 /nfs/dbraw/zinc/33/11/73/809331173.db2.gz PVSKZASENNFHNE-UHFFFAOYSA-N -1 3 258.174 3.087 20 0 CGADHM Cc1ccc(Nc2c(F)ccc([O-])c2F)c(O)c1 ZINC001175266390 809331877 /nfs/dbraw/zinc/33/18/77/809331877.db2.gz ZNVUIVNOJLLXPE-UHFFFAOYSA-N -1 3 251.232 3.428 20 0 CGADHM Cn1cc2cccc(Nc3c(F)ccc([O-])c3F)c2n1 ZINC001175268085 809333344 /nfs/dbraw/zinc/33/33/44/809333344.db2.gz GVOWRZNVQVRWAR-UHFFFAOYSA-N -1 3 275.258 3.301 20 0 CGADHM Clc1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001175428188 809401592 /nfs/dbraw/zinc/40/15/92/809401592.db2.gz FUMJNSSCFNUEMH-UHFFFAOYSA-N -1 3 271.711 3.264 20 0 CGADHM CN1CCC=C(Nc2ccc(Cl)c(Cl)c2[O-])C1 ZINC001175577516 809458473 /nfs/dbraw/zinc/45/84/73/809458473.db2.gz BCSCOZYNAWUKJT-UHFFFAOYSA-N -1 3 273.163 3.330 20 0 CGADHM COc1cc(-c2noc(-c3cc(Cl)n[n-]3)n2)ccc1C ZINC001213500453 815291191 /nfs/dbraw/zinc/29/11/91/815291191.db2.gz IUYQYACXSGNBPR-UHFFFAOYSA-N -1 3 290.710 3.097 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])c1ccsc1Cl ZINC001295980334 809497208 /nfs/dbraw/zinc/49/72/08/809497208.db2.gz XNPTXNOFFKELGU-UHFFFAOYSA-N -1 3 271.700 3.499 20 0 CGADHM CCc1ccc([O-])c(C(=O)NN2CCCc3ccccc32)c1 ZINC001296857720 809509801 /nfs/dbraw/zinc/50/98/01/809509801.db2.gz ZZDAZFNCUDMQMG-UHFFFAOYSA-N -1 3 296.370 3.052 20 0 CGADHM CC(C)c1cccc(Nc2ccc(C(N)=O)c([O-])c2)c1 ZINC001175779165 809541186 /nfs/dbraw/zinc/54/11/86/809541186.db2.gz OFZMBARZGFKGBH-UHFFFAOYSA-N -1 3 270.332 3.358 20 0 CGADHM COc1cccc(C(=O)[N-]c2ncccc2SC)c1F ZINC001300262210 809565571 /nfs/dbraw/zinc/56/55/71/809565571.db2.gz WCGZNRLUKKXVGB-UHFFFAOYSA-N -1 3 292.335 3.204 20 0 CGADHM COc1nonc1[N-]c1ccc(F)c2ccccc12 ZINC001175954278 809579761 /nfs/dbraw/zinc/57/97/61/809579761.db2.gz IGOLKZKCDYIIRZ-UHFFFAOYSA-N -1 3 259.240 3.114 20 0 CGADHM CCc1cccc(C(=O)Nc2nc3ccccc3n2C)c1[O-] ZINC001303391535 809610602 /nfs/dbraw/zinc/61/06/02/809610602.db2.gz VJNCAIVCBOVPDF-UHFFFAOYSA-N -1 3 295.342 3.094 20 0 CGADHM CC(C)(C)c1nnc([N-]c2cccc3c2OCC3)o1 ZINC001176074692 809614684 /nfs/dbraw/zinc/61/46/84/809614684.db2.gz ZGCKRCQPMRSTEV-UHFFFAOYSA-N -1 3 259.309 3.046 20 0 CGADHM Cc1cc(NC(=O)c2cccc(C)c2[O-])cc(O)c1C ZINC001176269417 809658537 /nfs/dbraw/zinc/65/85/37/809658537.db2.gz ZMWXXYRVARKNOK-UHFFFAOYSA-N -1 3 271.316 3.275 20 0 CGADHM CCOC(=O)c1cnoc1[N-]c1ccccc1Cl ZINC001176551448 809715840 /nfs/dbraw/zinc/71/58/40/809715840.db2.gz PBENFCWKFNJKJS-UHFFFAOYSA-N -1 3 266.684 3.248 20 0 CGADHM Cc1cccc2c1nc(N)n2-c1c(F)cc(F)c([O-])c1F ZINC001176662351 809737009 /nfs/dbraw/zinc/73/70/09/809737009.db2.gz LVQNFBWSXOUEFX-UHFFFAOYSA-N -1 3 293.248 3.039 20 0 CGADHM [O-]c1cc(Cl)c(Nc2cnc3nonc3c2)cc1Cl ZINC001176696537 809743396 /nfs/dbraw/zinc/74/33/96/809743396.db2.gz OWARXGSOQGCHPL-UHFFFAOYSA-N -1 3 297.101 3.374 20 0 CGADHM [O-]c1cc(Cl)cnc1Nc1cccnc1N1CCCC1 ZINC001176749398 809758206 /nfs/dbraw/zinc/75/82/06/809758206.db2.gz BLXRIBTUNVZBHJ-UHFFFAOYSA-N -1 3 290.754 3.179 20 0 CGADHM CC(=O)c1ccc(C(=O)NCCC[C@@H]2C=CCC2)cc1[O-] ZINC001176910758 809769004 /nfs/dbraw/zinc/76/90/04/809769004.db2.gz XTQJBGNBQHAFJI-CYBMUJFWSA-N -1 3 287.359 3.071 20 0 CGADHM NC(=O)c1ccc(Nc2ccc3sccc3c2)cc1[O-] ZINC001213935239 815347475 /nfs/dbraw/zinc/34/74/75/815347475.db2.gz RYAXTXAOCSRMPN-UHFFFAOYSA-N -1 3 284.340 3.449 20 0 CGADHM CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1C[N-]S(=O)(=O)c1ccco1 ZINC001186186311 810320759 /nfs/dbraw/zinc/32/07/59/810320759.db2.gz NQXAZXRGOBPEFB-MCIONIFRSA-N -1 3 299.436 3.266 20 0 CGADHM Cc1cccc(-c2noc(-c3ccc(F)c(=O)[n-]3)n2)c1F ZINC001214085176 815366448 /nfs/dbraw/zinc/36/64/48/815366448.db2.gz GWMFCGAWEYSMLK-UHFFFAOYSA-N -1 3 289.241 3.091 20 0 CGADHM Cc1cccc([O-])c1C(=O)Nc1cc2ccccc2n1C ZINC001188640665 810496602 /nfs/dbraw/zinc/49/66/02/810496602.db2.gz VCFMQFHZAQCRQS-UHFFFAOYSA-N -1 3 280.327 3.445 20 0 CGADHM Cc1cc(NC(=O)c2c(C)cccc2[O-])c2cc[nH]c2n1 ZINC001188640661 810496862 /nfs/dbraw/zinc/49/68/62/810496862.db2.gz UTNAAJHHXJAHAJ-UHFFFAOYSA-N -1 3 281.315 3.089 20 0 CGADHM Cc1nc2c(cccc2NC(=O)c2c(C)cccc2[O-])o1 ZINC001188649141 810499251 /nfs/dbraw/zinc/49/92/51/810499251.db2.gz SDQBQVSQMPWXFM-UHFFFAOYSA-N -1 3 282.299 3.403 20 0 CGADHM Cc1cccc(C)c1C(=O)Nc1ccc(F)c([O-])c1 ZINC001189056584 810540292 /nfs/dbraw/zinc/54/02/92/810540292.db2.gz NCGYBNLQBUYMJN-UHFFFAOYSA-N -1 3 259.280 3.400 20 0 CGADHM CC(C)(C)Cc1cc([N-]C(=O)Nc2ccccn2)on1 ZINC001191300205 810699457 /nfs/dbraw/zinc/69/94/57/810699457.db2.gz XXLCFYSLZVZAOJ-UHFFFAOYSA-N -1 3 274.324 3.302 20 0 CGADHM O=C(Nc1cncc([O-])c1)c1ccncc1-c1ccccc1 ZINC001191892690 810754679 /nfs/dbraw/zinc/75/46/79/810754679.db2.gz HGEONOGXQDXGIA-UHFFFAOYSA-N -1 3 291.310 3.102 20 0 CGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)C(C)(C)C ZINC001191982474 810763526 /nfs/dbraw/zinc/76/35/26/810763526.db2.gz DZAMHXYKBHVTEQ-MRVPVSSYSA-N -1 3 293.791 3.192 20 0 CGADHM Cc1ccc(C(=O)Nc2cc(Br)ccc2[O-])[nH]1 ZINC001193909412 810977967 /nfs/dbraw/zinc/97/79/67/810977967.db2.gz RUFIVQZEPBAYBM-UHFFFAOYSA-N -1 3 295.136 3.044 20 0 CGADHM Cc1ccc(Nc2cc([O-])c(F)cc2F)c(CO)c1 ZINC001214459550 815412658 /nfs/dbraw/zinc/41/26/58/815412658.db2.gz FOIAIGUNVWHRJI-UHFFFAOYSA-N -1 3 265.259 3.215 20 0 CGADHM NC(=O)c1cccc(Nc2c(Cl)ccc([O-])c2F)c1 ZINC001214559094 815424392 /nfs/dbraw/zinc/42/43/92/815424392.db2.gz GPNBJFJJJRYXCI-UHFFFAOYSA-N -1 3 280.686 3.027 20 0 CGADHM Cc1cc(CO)ccc1Nc1c(F)cc([O-])cc1F ZINC001214671109 815441485 /nfs/dbraw/zinc/44/14/85/815441485.db2.gz ZUWMJOGJDAHPMY-UHFFFAOYSA-N -1 3 265.259 3.215 20 0 CGADHM O=C(Nc1cncc([O-])c1)c1ccc(-c2cccs2)nc1 ZINC001196776999 811367122 /nfs/dbraw/zinc/36/71/22/811367122.db2.gz YEBCRDXABBDZKQ-UHFFFAOYSA-N -1 3 297.339 3.163 20 0 CGADHM COc1ccc(-c2noc(-c3ccccc3[O-])n2)c(OC)c1 ZINC001215142073 815487842 /nfs/dbraw/zinc/48/78/42/815487842.db2.gz KENCHXZLZAGNCG-UHFFFAOYSA-N -1 3 298.298 3.126 20 0 CGADHM COc1cc(F)ccc1-c1noc(-c2ccccc2[O-])n1 ZINC001215141809 815487914 /nfs/dbraw/zinc/48/79/14/815487914.db2.gz AEAZIHDSYYZZRB-UHFFFAOYSA-N -1 3 286.262 3.257 20 0 CGADHM COc1cccc(-c2noc(-c3ccccc3[O-])n2)c1F ZINC001215141896 815488045 /nfs/dbraw/zinc/48/80/45/815488045.db2.gz HDRUGZPYUFXCFT-UHFFFAOYSA-N -1 3 286.262 3.257 20 0 CGADHM CCOc1cc(Nc2cc(F)c([O-])cc2F)ccn1 ZINC001215571126 815537443 /nfs/dbraw/zinc/53/74/43/815537443.db2.gz ZWDQMIGCNXHROZ-UHFFFAOYSA-N -1 3 266.247 3.208 20 0 CGADHM [O-]c1cc(F)c(Nc2ccc[nH]c2=S)cc1F ZINC001215572201 815537694 /nfs/dbraw/zinc/53/76/94/815537694.db2.gz PXIGKONIPYEVKM-UHFFFAOYSA-N -1 3 254.261 3.098 20 0 CGADHM Nc1ccccc1-c1ccn(-c2cc(F)c([O-])cc2F)n1 ZINC001215576306 815540115 /nfs/dbraw/zinc/54/01/15/815540115.db2.gz ULFPDLPDRAKAFK-UHFFFAOYSA-N -1 3 287.269 3.105 20 0 CGADHM CN1CCc2ccc(-c3ccsc3C(=O)[O-])cc2C1 ZINC001205615202 813024009 /nfs/dbraw/zinc/02/40/09/813024009.db2.gz VCDYXWKBPIXIFA-UHFFFAOYSA-N -1 3 273.357 3.101 20 0 CGADHM CC(C)Cn1cc(Nc2ncc(Cl)cc2[O-])cn1 ZINC001205843912 813105860 /nfs/dbraw/zinc/10/58/60/813105860.db2.gz FXUXOZSVMYZFDF-UHFFFAOYSA-N -1 3 266.732 3.037 20 0 CGADHM [O-]c1ccc(-c2cc(C(F)(F)F)ncn2)c(F)c1 ZINC001206021163 813167595 /nfs/dbraw/zinc/16/75/95/813167595.db2.gz HNTQFCJZIBKCED-UHFFFAOYSA-N -1 3 258.174 3.007 20 0 CGADHM COc1cnc(-c2ccc([O-])cc2F)c2[nH]ccc21 ZINC001206038077 813177612 /nfs/dbraw/zinc/17/76/12/813177612.db2.gz RGOQCVLPXMMKAF-UHFFFAOYSA-N -1 3 258.252 3.083 20 0 CGADHM COc1cccc2ncnc(-c3ccc([O-])cc3F)c21 ZINC001206045089 813179541 /nfs/dbraw/zinc/17/95/41/813179541.db2.gz ZRIIANANDLQWMP-UHFFFAOYSA-N -1 3 270.263 3.150 20 0 CGADHM Cn1c(=O)cc(-c2ccc([O-])cc2F)c2ccccc21 ZINC001206088420 813195914 /nfs/dbraw/zinc/19/59/14/813195914.db2.gz LLJVPGZXOXTEME-UHFFFAOYSA-N -1 3 269.275 3.050 20 0 CGADHM COc1cnc(F)cc1[N-]c1nnc(C(C)(C)C)s1 ZINC001215804071 815599110 /nfs/dbraw/zinc/59/91/10/815599110.db2.gz XGUHPWNNXMRDHY-UHFFFAOYSA-N -1 3 282.344 3.122 20 0 CGADHM Cc1ccc(Nc2ncc(Cl)cc2[O-])c(O)c1 ZINC001206255317 813257499 /nfs/dbraw/zinc/25/74/99/813257499.db2.gz XGCCUMLYNJCHQE-UHFFFAOYSA-N -1 3 250.685 3.198 20 0 CGADHM [O-]c1ccc(Nc2ccc3c(c2)OCC3)c(F)c1F ZINC001206678592 813395804 /nfs/dbraw/zinc/39/58/04/813395804.db2.gz JJWFDYFBELAGMM-UHFFFAOYSA-N -1 3 263.243 3.349 20 0 CGADHM [O-]c1cc(Nc2ccc3c(c2)OCC3)c(F)cc1F ZINC001206678928 813397549 /nfs/dbraw/zinc/39/75/49/813397549.db2.gz ZYVWSLWRCXBDHD-UHFFFAOYSA-N -1 3 263.243 3.349 20 0 CGADHM [O-]c1cc(Cl)cnc1Nc1cc(O)cc(F)c1 ZINC001206760209 813426638 /nfs/dbraw/zinc/42/66/38/813426638.db2.gz MAXCDLQYAWREJU-UHFFFAOYSA-N -1 3 254.648 3.029 20 0 CGADHM COc1ccc2c(c1Nc1cc([O-])cc(F)c1)C(=O)CC2 ZINC001208125184 813699609 /nfs/dbraw/zinc/69/96/09/813699609.db2.gz HFMLTTLYWJXFSS-UHFFFAOYSA-N -1 3 287.290 3.412 20 0 CGADHM [O-]c1c(F)cc(Nc2ccc(F)c(CO)c2)cc1F ZINC001209877795 814184001 /nfs/dbraw/zinc/18/40/01/814184001.db2.gz ALHLFRSTBPMIGT-UHFFFAOYSA-N -1 3 269.222 3.045 20 0 CGADHM Cc1c(F)cc(Nc2cc(=O)[n-]c(C3CC3)n2)cc1F ZINC001210105424 814291307 /nfs/dbraw/zinc/29/13/07/814291307.db2.gz AAFLOWCEFPCAAJ-UHFFFAOYSA-N -1 3 277.274 3.390 20 0 CGADHM COC(=O)c1cc(C)c(Nc2cccc(Cl)c2[O-])cn1 ZINC001210219911 814346771 /nfs/dbraw/zinc/34/67/71/814346771.db2.gz SNGGBVKGEOXRBR-UHFFFAOYSA-N -1 3 292.722 3.279 20 0 CGADHM [O-]c1c(Cl)cccc1Nc1cnc(OCC2CC2)nc1 ZINC001210220927 814348550 /nfs/dbraw/zinc/34/85/50/814348550.db2.gz TXZKBTYKSHXJKW-UHFFFAOYSA-N -1 3 291.738 3.368 20 0 CGADHM [O-]c1c(Cl)cccc1Nc1ccc(-n2nccn2)cc1 ZINC001210223058 814350186 /nfs/dbraw/zinc/35/01/86/814350186.db2.gz JEYMVWWCWDCMIE-UHFFFAOYSA-N -1 3 286.722 3.370 20 0 CGADHM Cc1ccc(Nc2cc(F)c([O-])c(F)c2)cc1CO ZINC001210250263 814365382 /nfs/dbraw/zinc/36/53/82/814365382.db2.gz ICAGYHLHXSTVCP-UHFFFAOYSA-N -1 3 265.259 3.215 20 0 CGADHM CC(=O)c1ccc(Nc2cc(F)c([O-])cc2F)cn1 ZINC001210276042 814374001 /nfs/dbraw/zinc/37/40/01/814374001.db2.gz KJQWZMKCHPSUSG-UHFFFAOYSA-N -1 3 264.231 3.012 20 0 CGADHM Nc1cncc(Nc2cc(Br)cc(F)c2[O-])c1 ZINC001210442571 814457920 /nfs/dbraw/zinc/45/79/20/814457920.db2.gz LIEWBTKNJGHPCS-UHFFFAOYSA-N -1 3 298.115 3.015 20 0 CGADHM [O-]c1cccc2sc(Nc3cccc4c3OCO4)nc21 ZINC001210556477 814524765 /nfs/dbraw/zinc/52/47/65/814524765.db2.gz JMROCVRBGOVRTK-UHFFFAOYSA-N -1 3 286.312 3.474 20 0 CGADHM CSc1cccc(Nc2cnc(C)[n-]c2=O)c1F ZINC001215868012 815618597 /nfs/dbraw/zinc/61/85/97/815618597.db2.gz BAKWKTYFSYEBOJ-UHFFFAOYSA-N -1 3 265.313 3.095 20 0 CGADHM Cc1ncc(Nc2ccc(OCC(F)(F)F)cc2)c(=O)[n-]1 ZINC001210744901 814606862 /nfs/dbraw/zinc/60/68/62/814606862.db2.gz LVEJJZATNVZBDA-UHFFFAOYSA-N -1 3 299.252 3.175 20 0 CGADHM COc1ncnc(Cl)c1Nc1cccc([O-])c1Cl ZINC001210845229 814650606 /nfs/dbraw/zinc/65/06/06/814650606.db2.gz VPIAASIMQNWPTC-UHFFFAOYSA-N -1 3 286.118 3.241 20 0 CGADHM Nc1cc(Cl)ncc1Nc1cccc([O-])c1Cl ZINC001210852053 814650920 /nfs/dbraw/zinc/65/09/20/814650920.db2.gz SYDANRANIORVIJ-UHFFFAOYSA-N -1 3 270.119 3.420 20 0 CGADHM [O-]c1cccc(Nc2noc3cnccc32)c1Cl ZINC001210854040 814652599 /nfs/dbraw/zinc/65/25/99/814652599.db2.gz WLPVRCNXFQTISM-UHFFFAOYSA-N -1 3 261.668 3.325 20 0 CGADHM [O-]c1cccc(Nc2ccccc2-n2cncn2)c1Cl ZINC001210859208 814653522 /nfs/dbraw/zinc/65/35/22/814653522.db2.gz AYNBLYBOZXOPNY-UHFFFAOYSA-N -1 3 286.722 3.370 20 0 CGADHM O=C1NCc2c(Nc3cccc([O-])c3Cl)cccc2N1 ZINC001210860369 814654716 /nfs/dbraw/zinc/65/47/16/814654716.db2.gz YDMXPEOOVOZBIA-UHFFFAOYSA-N -1 3 289.722 3.424 20 0 CGADHM Brc1nc([N-]c2nccs2)cs1 ZINC001210991032 814702266 /nfs/dbraw/zinc/70/22/66/814702266.db2.gz SZWWBMRIWHWFHC-UHFFFAOYSA-N -1 3 262.157 3.106 20 0 CGADHM Cc1cc(Nc2ccc3c(c2)CN(C)CC3)cc(C(=O)[O-])c1 ZINC001211549616 814906422 /nfs/dbraw/zinc/90/64/22/814906422.db2.gz OTGBWMAKGFFRHG-UHFFFAOYSA-N -1 3 296.370 3.425 20 0 CGADHM CSc1ncc(Cl)cc1[N-]c1nc(C)co1 ZINC001215914755 815628576 /nfs/dbraw/zinc/62/85/76/815628576.db2.gz QKVTVWCMHBLNRO-UHFFFAOYSA-N -1 3 255.730 3.497 20 0 CGADHM Cc1cc(Nc2cccc3c2C(=O)N=NC3=O)cc([O-])c1F ZINC001216081849 815685847 /nfs/dbraw/zinc/68/58/47/815685847.db2.gz FNHOOHKAQIMTTB-UHFFFAOYSA-N -1 3 299.261 3.330 20 0 CGADHM COc1ccc(Nc2ccc([O-])c(F)c2F)cc1N ZINC001216257759 815758379 /nfs/dbraw/zinc/75/83/79/815758379.db2.gz VVPFSOIFHNRDIY-UHFFFAOYSA-N -1 3 266.247 3.005 20 0 CGADHM Nc1ccnc(-c2cc(Cl)c([O-])c(Cl)c2)c1 ZINC001242850490 823152814 /nfs/dbraw/zinc/15/28/14/823152814.db2.gz LSOWJLKXJMUCLA-UHFFFAOYSA-N -1 3 255.104 3.343 20 0 CGADHM COc1c(F)ccc([N-]c2noc(C(C)(C)C)n2)c1OC ZINC001216389420 815809514 /nfs/dbraw/zinc/80/95/14/815809514.db2.gz DJUAWPWAUPJOOF-UHFFFAOYSA-N -1 3 295.314 3.267 20 0 CGADHM Cc1cnccc1-c1noc(-c2cc([O-])c(C)c(F)c2)n1 ZINC001216895408 815900076 /nfs/dbraw/zinc/90/00/76/815900076.db2.gz QKDJDZIRQWPQOF-UHFFFAOYSA-N -1 3 285.278 3.260 20 0 CGADHM COc1cc([O-])ccc1-c1nc(-c2ccccc2F)no1 ZINC001217084293 815908732 /nfs/dbraw/zinc/90/87/32/815908732.db2.gz BCIQCHNJFUBCBR-UHFFFAOYSA-N -1 3 286.262 3.257 20 0 CGADHM [O-]c1ccccc1Oc1ccccc1OC1CC(O)C1 ZINC001218258314 816143907 /nfs/dbraw/zinc/14/39/07/816143907.db2.gz CBGLMHNJOOPXAL-UHFFFAOYSA-N -1 3 272.300 3.087 20 0 CGADHM Cc1c(CO)cccc1-c1ccc2c(c1)[N-]C(=S)C2 ZINC001243016848 823211982 /nfs/dbraw/zinc/21/19/82/823211982.db2.gz NICQQRPHGJOQKL-UHFFFAOYSA-N -1 3 269.369 3.450 20 0 CGADHM COC(=O)c1cc(F)c(F)c(-c2ccc(F)c([O-])c2)c1 ZINC001243046453 823223712 /nfs/dbraw/zinc/22/37/12/823223712.db2.gz HWFHSHLZHRDGDH-UHFFFAOYSA-N -1 3 282.217 3.263 20 0 CGADHM CC(C)Sc1ccc(-c2ccc(F)c([O-])c2)nn1 ZINC001243049603 823226916 /nfs/dbraw/zinc/22/69/16/823226916.db2.gz LXADQLZWGCCRLW-UHFFFAOYSA-N -1 3 264.325 3.489 20 0 CGADHM CC(C)(C)Oc1ccc(-c2ccc(F)c([O-])c2)nn1 ZINC001243050205 823226961 /nfs/dbraw/zinc/22/69/61/823226961.db2.gz VQVGPXDQECVBMR-UHFFFAOYSA-N -1 3 262.284 3.166 20 0 CGADHM CCOC(=O)c1cnc(-c2ccc(F)c([O-])c2)c(C)c1 ZINC001243050305 823227387 /nfs/dbraw/zinc/22/73/87/823227387.db2.gz WQVFDGWWSKVOKZ-UHFFFAOYSA-N -1 3 275.279 3.078 20 0 CGADHM COC(=O)c1c(C)c(OC)ccc1-c1ccc(F)c([O-])c1 ZINC001243050453 823227776 /nfs/dbraw/zinc/22/77/76/823227776.db2.gz XGFCCBNKOZZHKV-UHFFFAOYSA-N -1 3 290.290 3.302 20 0 CGADHM CCOC(=O)c1c(C)cc(-c2ccc(F)c([O-])c2)nc1C ZINC001243054323 823230016 /nfs/dbraw/zinc/23/00/16/823230016.db2.gz NFWLLRBATQTSCL-UHFFFAOYSA-N -1 3 289.306 3.387 20 0 CGADHM C[C@H](Oc1ccc2c([O-])coc2c1)c1cccc(N(C)C)c1 ZINC001225340454 817017526 /nfs/dbraw/zinc/01/75/26/817017526.db2.gz NFNIJVFQYXYDHT-LBPRGKRZSA-N -1 3 297.354 3.468 20 0 CGADHM Clc1ccc(-c2cccc(-c3nnn[n-]3)c2)c(Cl)n1 ZINC001243088338 823241625 /nfs/dbraw/zinc/24/16/25/823241625.db2.gz NUQKYMSKHSPIRW-UHFFFAOYSA-N -1 3 292.129 3.236 20 0 CGADHM Clc1ccc(-c2cccc(-c3nn[n-]n3)c2)c(Cl)n1 ZINC001243088338 823241627 /nfs/dbraw/zinc/24/16/27/823241627.db2.gz NUQKYMSKHSPIRW-UHFFFAOYSA-N -1 3 292.129 3.236 20 0 CGADHM Cc1cnc(=S)[n-]c1O[C@H](C)c1ccc(F)cc1 ZINC001225741950 817163702 /nfs/dbraw/zinc/16/37/02/817163702.db2.gz DUFAXSJRBWQSAA-SECBINFHSA-N -1 3 264.325 3.353 20 0 CGADHM Cc1cnc(=S)[n-]c1O[C@H](C)c1cccc(F)c1F ZINC001225741219 817163736 /nfs/dbraw/zinc/16/37/36/817163736.db2.gz SLDKKWLZICJCCE-MRVPVSSYSA-N -1 3 282.315 3.492 20 0 CGADHM CCC[C@H](CC(=O)OCC)Oc1cc(C(C)=O)ccc1[O-] ZINC001225997561 817243801 /nfs/dbraw/zinc/24/38/01/817243801.db2.gz DVABFJFWRXFEPW-CYBMUJFWSA-N -1 3 294.347 3.096 20 0 CGADHM COC(C)(C)C[C@H](C)Oc1[n-]c(=S)ncc1C1CC1 ZINC001226118190 817277933 /nfs/dbraw/zinc/27/79/33/817277933.db2.gz CKFQOVLKNIKROZ-VIFPVBQESA-N -1 3 282.409 3.225 20 0 CGADHM Cc1nnc(=O)[n-]c1O[C@@H](C)c1ccc2ccccc2c1 ZINC001226461970 817364305 /nfs/dbraw/zinc/36/43/05/817364305.db2.gz ZZWLSMQUKNIKDU-NSHDSACASA-N -1 3 281.315 3.179 20 0 CGADHM CCc1nc(O[C@H]2CC[C@H](C(F)(F)F)CC2)cc(=O)[n-]1 ZINC001226474456 817368858 /nfs/dbraw/zinc/36/88/58/817368858.db2.gz FXIQRCPBRFAZOJ-KYZUINATSA-N -1 3 290.285 3.245 20 0 CGADHM CC(=O)c1ccc([O-])c(O[C@@H]2CCC[C@@H](C)C2)c1O ZINC001226481274 817372148 /nfs/dbraw/zinc/37/21/48/817372148.db2.gz DWNSLHFNPILSQG-MWLCHTKSSA-N -1 3 264.321 3.258 20 0 CGADHM Cc1nc(O[C@@H](C)c2cc(-c3ccccc3)no2)cc(=O)[n-]1 ZINC001226512832 817381039 /nfs/dbraw/zinc/38/10/39/817381039.db2.gz VLFVJONQHAVOIO-JTQLQIEISA-N -1 3 297.314 3.286 20 0 CGADHM CCCOC[C@@H](C)Oc1cc2c(C)cc(=O)oc2cc1[O-] ZINC001226532745 817389189 /nfs/dbraw/zinc/38/91/89/817389189.db2.gz UFZOUWYWQSTTGC-LLVKDONJSA-N -1 3 292.331 3.001 20 0 CGADHM Cc1cc(=O)oc2cc([O-])c(OC3CCCC3)cc12 ZINC001226532507 817390205 /nfs/dbraw/zinc/39/02/05/817390205.db2.gz RYEFMIKZLJGHSJ-UHFFFAOYSA-N -1 3 260.289 3.128 20 0 CGADHM Cc1cc(=O)oc2cc([O-])c(O[C@@H](C)C(F)(F)F)cc12 ZINC001226536346 817391070 /nfs/dbraw/zinc/39/10/70/817391070.db2.gz VZDUVSAOIBGMEB-ZETCQYMHSA-N -1 3 288.221 3.137 20 0 CGADHM Cc1ccc2c(c1)CC[C@@H]2Oc1ccnc(=S)[n-]1 ZINC001226938160 817509765 /nfs/dbraw/zinc/50/97/65/817509765.db2.gz VRYJRSFFVLWWEJ-LBPRGKRZSA-N -1 3 258.346 3.140 20 0 CGADHM C[C@H](Oc1cc(=O)[n-]cn1)c1ccc(Br)cc1 ZINC001226945500 817512820 /nfs/dbraw/zinc/51/28/20/817512820.db2.gz WJNCWPIXKPKLAQ-QMMMGPOBSA-N -1 3 295.136 3.085 20 0 CGADHM CCC[C@H](Oc1[n-]c(=O)nc2nccnc21)c1ccccc1 ZINC001226988927 817527351 /nfs/dbraw/zinc/52/73/51/817527351.db2.gz BYHXAUJTCHTIJO-LBPRGKRZSA-N -1 3 296.330 3.046 20 0 CGADHM Cc1ccc(Cl)cc1[C@@H](C)Oc1cnc[n-]c1=O ZINC001227048336 817543129 /nfs/dbraw/zinc/54/31/29/817543129.db2.gz CYSHFHTZELDYQH-SECBINFHSA-N -1 3 264.712 3.284 20 0 CGADHM [O-]c1cc(Cl)c(O[C@@H]2CN3CCC2CC3)cc1Cl ZINC001227641859 817687216 /nfs/dbraw/zinc/68/72/16/817687216.db2.gz SSOIWERJDDZYEM-CYBMUJFWSA-N -1 3 288.174 3.172 20 0 CGADHM CCC[C@H](Oc1nc(C(=O)OC)ccc1[O-])[C@@H](C)CC ZINC001227820611 817726771 /nfs/dbraw/zinc/72/67/71/817726771.db2.gz XQXJKBLLCPMGDO-GWCFXTLKSA-N -1 3 281.352 3.167 20 0 CGADHM CC(C)Oc1ccc(COc2ncc(Cl)cc2[O-])cn1 ZINC001227979265 817770623 /nfs/dbraw/zinc/77/06/23/817770623.db2.gz BDXNJFKJOIJFGU-UHFFFAOYSA-N -1 3 294.738 3.202 20 0 CGADHM CC1(C)CCC(Oc2[n-]c(=O)nc3cccnc32)CC1 ZINC001228007719 817783145 /nfs/dbraw/zinc/78/31/45/817783145.db2.gz MJWDSBLYYWIVJK-UHFFFAOYSA-N -1 3 273.336 3.078 20 0 CGADHM CC[C@@H](COc1cc(-c2ccccc2)nc(=S)[n-]1)OC ZINC001228346957 817884134 /nfs/dbraw/zinc/88/41/34/817884134.db2.gz OVPSHOVOPOKYCX-LBPRGKRZSA-N -1 3 290.388 3.236 20 0 CGADHM CC[C@@H](Oc1nnc(-c2cccnc2)[n-]1)C(C)(C)C ZINC001228698593 817980093 /nfs/dbraw/zinc/98/00/93/817980093.db2.gz QXEPVZWQXPFTKI-LLVKDONJSA-N -1 3 260.341 3.070 20 0 CGADHM CC[C@@H](Oc1nc(-c2cccnc2)n[n-]1)C(C)(C)C ZINC001228698593 817980096 /nfs/dbraw/zinc/98/00/96/817980096.db2.gz QXEPVZWQXPFTKI-LLVKDONJSA-N -1 3 260.341 3.070 20 0 CGADHM CC[C@@H](Oc1n[n-]c(-c2cccnc2)n1)C(C)(C)C ZINC001228698593 817980099 /nfs/dbraw/zinc/98/00/99/817980099.db2.gz QXEPVZWQXPFTKI-LLVKDONJSA-N -1 3 260.341 3.070 20 0 CGADHM COC(C)(C)C[C@H](C)Oc1cc2c(cc1[O-])CCC2=O ZINC001228855572 818025110 /nfs/dbraw/zinc/02/51/10/818025110.db2.gz MWPOWGLTBUQBDO-JTQLQIEISA-N -1 3 278.348 3.104 20 0 CGADHM O=C([O-])c1ccc(F)c(CN2CCCC3(CCC3)C2)c1 ZINC001231461185 818103343 /nfs/dbraw/zinc/10/33/43/818103343.db2.gz VHZFMLFXSRIFGE-UHFFFAOYSA-N -1 3 277.339 3.290 20 0 CGADHM [O-]c1cccc(CN2CCC3(C[C@@H](F)CO3)CC2)c1Cl ZINC001232788577 818440851 /nfs/dbraw/zinc/44/08/51/818440851.db2.gz DUSMCGNEGHPWRX-GFCCVEGCSA-N -1 3 299.773 3.139 20 0 CGADHM [O-]c1c(F)ccc(CN2CCCCCCC2)c1F ZINC001232935585 818476656 /nfs/dbraw/zinc/47/66/56/818476656.db2.gz UQEWKVJYXVULAV-UHFFFAOYSA-N -1 3 255.308 3.437 20 0 CGADHM CC[C@H]1CCCN(Cc2ccc(F)c([O-])c2F)C1 ZINC001232937686 818477960 /nfs/dbraw/zinc/47/79/60/818477960.db2.gz QYIQMKMSDKLMJG-JTQLQIEISA-N -1 3 255.308 3.292 20 0 CGADHM Cc1cc([C@H]2CCCN2Cc2cccc([O-])c2F)no1 ZINC001233050285 818510137 /nfs/dbraw/zinc/51/01/37/818510137.db2.gz OJDNCKFBTLFBHG-CYBMUJFWSA-N -1 3 276.311 3.165 20 0 CGADHM [O-]c1cccc(CN2C[C@H]3CC[C@@H](C2)C3(F)F)c1F ZINC001233052154 818510485 /nfs/dbraw/zinc/51/04/85/818510485.db2.gz ZUFQSQOUHCIBQP-PHIMTYICSA-N -1 3 271.282 3.008 20 0 CGADHM O=C([O-])c1cc(Cl)cc(-c2nccc3c2CCN3)c1 ZINC001243322702 823347224 /nfs/dbraw/zinc/34/72/24/823347224.db2.gz DKNHUJHJHHEYNS-UHFFFAOYSA-N -1 3 274.707 3.068 20 0 CGADHM [O-]c1ccc(F)c(CN2CCC3(CC3)CC2)c1F ZINC001233393753 818609178 /nfs/dbraw/zinc/60/91/78/818609178.db2.gz KMEALKBGLGUMHW-UHFFFAOYSA-N -1 3 253.292 3.046 20 0 CGADHM [O-]c1ccc(F)c(CN2C[C@H]3CC[C@@H](C2)C3(F)F)c1F ZINC001233394011 818609393 /nfs/dbraw/zinc/60/93/93/818609393.db2.gz WDNPRQBFTCKVKX-DTORHVGOSA-N -1 3 289.272 3.148 20 0 CGADHM C[C@@H]1CCCN(Cc2c(F)ccc([O-])c2F)[C@H]1C ZINC001233395582 818610872 /nfs/dbraw/zinc/61/08/72/818610872.db2.gz DHEVZYYXMYOROH-ZJUUUORDSA-N -1 3 255.308 3.291 20 0 CGADHM Cc1cc([O-])c(Cl)cc1OC[C@H]1CCC=CO1 ZINC001233593068 818652523 /nfs/dbraw/zinc/65/25/23/818652523.db2.gz TYQQTHJGXMGEPQ-SNVBAGLBSA-N -1 3 254.713 3.426 20 0 CGADHM Cc1cc([O-])c(Cl)cc1O[C@@H]1CCn2ccnc21 ZINC001233593756 818653314 /nfs/dbraw/zinc/65/33/14/818653314.db2.gz ZKJMXKUNIAKJAH-LLVKDONJSA-N -1 3 264.712 3.074 20 0 CGADHM Cc1cc([O-])c(Cl)cc1O[C@@H]1COc2cnccc21 ZINC001233596468 818654098 /nfs/dbraw/zinc/65/40/98/818654098.db2.gz ZHSLOTOKXLEYAG-CQSZACIVSA-N -1 3 277.707 3.262 20 0 CGADHM CC1(C)CC(=O)CC[C@@H]1Oc1cccc([O-])c1F ZINC001233871477 818722206 /nfs/dbraw/zinc/72/22/06/818722206.db2.gz OVPXWXXLPMOWQP-LBPRGKRZSA-N -1 3 252.285 3.058 20 0 CGADHM CC[C@H](C)C[C@H](CC)Oc1cccc([O-])c1C(N)=O ZINC001234150823 818793007 /nfs/dbraw/zinc/79/30/07/818793007.db2.gz YJIVXJDCVKPSDS-QWRGUYRKSA-N -1 3 265.353 3.085 20 0 CGADHM Cc1c([C@H](C)Oc2c(Cl)ccc([O-])c2F)cnn1C ZINC001234266168 818821017 /nfs/dbraw/zinc/82/10/17/818821017.db2.gz ZGXUAPKTDZCPAD-QMMMGPOBSA-N -1 3 284.718 3.367 20 0 CGADHM FC(F)Oc1cccc(-c2cccc(-c3nnn[n-]3)c2)c1 ZINC001243359317 823367512 /nfs/dbraw/zinc/36/75/12/823367512.db2.gz HVNSCTWRCUCWBW-UHFFFAOYSA-N -1 3 288.257 3.135 20 0 CGADHM FC(F)Oc1cccc(-c2cccc(-c3nn[n-]n3)c2)c1 ZINC001243359317 823367516 /nfs/dbraw/zinc/36/75/16/823367516.db2.gz HVNSCTWRCUCWBW-UHFFFAOYSA-N -1 3 288.257 3.135 20 0 CGADHM [O-]c1cccc2[nH]c(O[C@@H]3CCOc4ccccc43)nc21 ZINC001234448800 818857580 /nfs/dbraw/zinc/85/75/80/818857580.db2.gz ZHYVNLAZZQRCLH-CQSZACIVSA-N -1 3 282.299 3.171 20 0 CGADHM [O-]c1cccc2[nH]c(O[C@H]3CCc4cc(F)ccc43)nc21 ZINC001234447838 818858064 /nfs/dbraw/zinc/85/80/64/818858064.db2.gz PWFVZTMXFQOVDE-AWEZNQCLSA-N -1 3 284.290 3.474 20 0 CGADHM C[C@H](Oc1nc[n-]c(=O)c1-c1ccccc1)C1CC1 ZINC001234688459 818915181 /nfs/dbraw/zinc/91/51/81/818915181.db2.gz GQTAUFKLCAUQTF-JTQLQIEISA-N -1 3 256.305 3.027 20 0 CGADHM COc1cc([O-])c(C)c(O[C@@H](C)C(C)C)c1C(C)=O ZINC001234789690 818923996 /nfs/dbraw/zinc/92/39/96/818923996.db2.gz BJRZDSPCHDQXEG-NSHDSACASA-N -1 3 266.337 3.335 20 0 CGADHM COc1cc([O-])c(C)c(O[C@H]2CC[C@@H](C)C2)c1C(C)=O ZINC001234791783 818924499 /nfs/dbraw/zinc/92/44/99/818924499.db2.gz RFZILYSCQWTYFG-SKDRFNHKSA-N -1 3 278.348 3.479 20 0 CGADHM CCCOC[C@H](C)Oc1c(C)c([O-])cc(OC)c1C(C)=O ZINC001234789906 818924876 /nfs/dbraw/zinc/92/48/76/818924876.db2.gz DKGYQYXJKDSGFU-JTQLQIEISA-N -1 3 296.363 3.106 20 0 CGADHM CC[C@H](C)[C@@H](C)Oc1nc(=O)[n-]c2c1SCCC2 ZINC001234905280 818949531 /nfs/dbraw/zinc/94/95/31/818949531.db2.gz CZDHQLCGGHKIEZ-DTWKUNHWSA-N -1 3 268.382 3.034 20 0 CGADHM CCCOc1ccc(F)cc1-c1ccc(=S)[n-]n1 ZINC001243401569 823393049 /nfs/dbraw/zinc/39/30/49/823393049.db2.gz RUHIOFLWSVEZKK-UHFFFAOYSA-N -1 3 264.325 3.360 20 0 CGADHM [O-]c1cc(Cl)cc(-c2ncnc3cnccc32)c1 ZINC001235899574 819209004 /nfs/dbraw/zinc/20/90/04/819209004.db2.gz INSJPZMHMLKYDX-UHFFFAOYSA-N -1 3 257.680 3.051 20 0 CGADHM [O-]c1cc(Cl)cc(-c2cncc(N3CCCC3)n2)c1 ZINC001235898868 819209244 /nfs/dbraw/zinc/20/92/44/819209244.db2.gz MZWBBRTVHFKGTK-UHFFFAOYSA-N -1 3 275.739 3.103 20 0 CGADHM CC(C)Oc1ccc(-c2cc([O-])cc(Cl)c2)nn1 ZINC001235899360 819209535 /nfs/dbraw/zinc/20/95/35/819209535.db2.gz PRIBILMOLRASAW-UHFFFAOYSA-N -1 3 264.712 3.290 20 0 CGADHM CCOC(=O)c1cccc(-c2cc([O-])cc(Cl)c2)n1 ZINC001235900242 819210499 /nfs/dbraw/zinc/21/04/99/819210499.db2.gz MBVJVKZWLJYZKU-UHFFFAOYSA-N -1 3 277.707 3.284 20 0 CGADHM COc1cnc(F)c(-c2cc([O-])cc(Cl)c2)c1 ZINC001235904250 819213994 /nfs/dbraw/zinc/21/39/94/819213994.db2.gz PXAFSUUXMZIBGA-UHFFFAOYSA-N -1 3 253.660 3.255 20 0 CGADHM COc1cncc(OC)c1-c1cc([O-])cc(Cl)c1 ZINC001235904806 819215004 /nfs/dbraw/zinc/21/50/04/819215004.db2.gz YBPABZVJHGVKBT-UHFFFAOYSA-N -1 3 265.696 3.125 20 0 CGADHM Cc1ccc(F)c(-c2ccc(CN(C)C3CC3)cn2)c1[O-] ZINC001236392615 819448585 /nfs/dbraw/zinc/44/85/85/819448585.db2.gz PWUMGDDSSVREAZ-UHFFFAOYSA-N -1 3 286.350 3.496 20 0 CGADHM COc1nc(C(C)C)ccc1-c1ccccc1-c1nnn[n-]1 ZINC001236444709 819482527 /nfs/dbraw/zinc/48/25/27/819482527.db2.gz ZMVIWBWVFYBRIO-UHFFFAOYSA-N -1 3 295.346 3.061 20 0 CGADHM COc1nc(C(C)C)ccc1-c1ccccc1-c1nn[n-]n1 ZINC001236444709 819482530 /nfs/dbraw/zinc/48/25/30/819482530.db2.gz ZMVIWBWVFYBRIO-UHFFFAOYSA-N -1 3 295.346 3.061 20 0 CGADHM COc1ccccc1CN(C)Cc1ccc(F)c([O-])c1 ZINC001236705148 819576394 /nfs/dbraw/zinc/57/63/94/819576394.db2.gz FMGHNQPNWKNRPJ-UHFFFAOYSA-N -1 3 275.323 3.172 20 0 CGADHM [O-]c1c(CN2CCC3(CC3)CC2)cc(Cl)nc1Cl ZINC001237517466 819769187 /nfs/dbraw/zinc/76/91/87/819769187.db2.gz BAKHFJCELGJJBF-UHFFFAOYSA-N -1 3 287.190 3.470 20 0 CGADHM CCOc1cc(-c2ccc(=S)[n-]n2)c(F)cc1F ZINC001243529435 823431584 /nfs/dbraw/zinc/43/15/84/823431584.db2.gz RYPHHBPECFXIPM-UHFFFAOYSA-N -1 3 268.288 3.109 20 0 CGADHM [O-]c1cccc(-c2ncccc2OC(F)(F)F)c1F ZINC001243544720 823437285 /nfs/dbraw/zinc/43/72/85/823437285.db2.gz UIOCGYXBKRVBCQ-UHFFFAOYSA-N -1 3 273.185 3.492 20 0 CGADHM Cn1c(=O)ccc2ccc(-c3cccc([O-])c3F)cc21 ZINC001243545810 823438340 /nfs/dbraw/zinc/43/83/40/823438340.db2.gz GXDSMJSGEZPIPY-UHFFFAOYSA-N -1 3 269.275 3.050 20 0 CGADHM COC(=O)c1c(F)cccc1-c1cccc([O-])c1F ZINC001243546244 823439121 /nfs/dbraw/zinc/43/91/21/823439121.db2.gz ZEHKHEANTDCTFQ-UHFFFAOYSA-N -1 3 264.227 3.124 20 0 CGADHM Cc1cc(C(=O)[O-])ccc1CN1CCC[C@](C)(F)C1 ZINC001238139603 819940892 /nfs/dbraw/zinc/94/08/92/819940892.db2.gz IEIWQAOKBVFDNU-HNNXBMFYSA-N -1 3 265.328 3.017 20 0 CGADHM COc1cnc(F)cc1-c1ccc2c(c1)[N-]C(=S)C2 ZINC001239040761 820202408 /nfs/dbraw/zinc/20/24/08/820202408.db2.gz OSFLNVYZKWFGGQ-UHFFFAOYSA-N -1 3 274.320 3.192 20 0 CGADHM S=C1Cc2ccc(-c3ccc4c(c3)OCCO4)cc2[N-]1 ZINC001239604558 820451365 /nfs/dbraw/zinc/45/13/65/820451365.db2.gz BPNKHPIKPPWNFB-UHFFFAOYSA-N -1 3 283.352 3.420 20 0 CGADHM COC(=O)c1nc2nc(-c3ccc(C(C)C)cc3)ccc2[n-]1 ZINC001239626415 820471590 /nfs/dbraw/zinc/47/15/90/820471590.db2.gz BIVJALCSXCITMG-UHFFFAOYSA-N -1 3 295.342 3.487 20 0 CGADHM COC(=O)c1nc2ccc(-c3ccc(C(C)C)cc3)nc2[n-]1 ZINC001239626415 820471594 /nfs/dbraw/zinc/47/15/94/820471594.db2.gz BIVJALCSXCITMG-UHFFFAOYSA-N -1 3 295.342 3.487 20 0 CGADHM COC(=O)c1nc2ccc(-c3ccc(C(C)C)cc3)[n-]c-2n1 ZINC001239626415 820471600 /nfs/dbraw/zinc/47/16/00/820471600.db2.gz BIVJALCSXCITMG-UHFFFAOYSA-N -1 3 295.342 3.487 20 0 CGADHM Cn1ccc2cc(-c3ccc(-c4nnn[n-]4)cc3)ccc21 ZINC001239942070 820722695 /nfs/dbraw/zinc/72/26/95/820722695.db2.gz QVLDRRRDFSYQPP-UHFFFAOYSA-N -1 3 275.315 3.025 20 0 CGADHM Cn1ccc2cc(-c3ccc(-c4nn[n-]n4)cc3)ccc21 ZINC001239942070 820722703 /nfs/dbraw/zinc/72/27/03/820722703.db2.gz QVLDRRRDFSYQPP-UHFFFAOYSA-N -1 3 275.315 3.025 20 0 CGADHM Cc1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1C ZINC001240702043 821257878 /nfs/dbraw/zinc/25/78/78/821257878.db2.gz NXZXSKKDISLZNV-UHFFFAOYSA-N -1 3 250.305 3.151 20 0 CGADHM Cc1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1C ZINC001240702043 821257882 /nfs/dbraw/zinc/25/78/82/821257882.db2.gz NXZXSKKDISLZNV-UHFFFAOYSA-N -1 3 250.305 3.151 20 0 CGADHM Nc1cc(-c2ccc([O-])c(F)c2)nc(C(F)(F)F)c1 ZINC001240781939 821321965 /nfs/dbraw/zinc/32/19/65/821321965.db2.gz LUWJIRPVDYYOST-UHFFFAOYSA-N -1 3 272.201 3.194 20 0 CGADHM COc1ccc2nc(-c3ccc([O-])c(F)c3)c(C)nc2c1 ZINC001240786651 821326569 /nfs/dbraw/zinc/32/65/69/821326569.db2.gz YFHAAARXJPILHF-UHFFFAOYSA-N -1 3 284.290 3.459 20 0 CGADHM [O-]c1ccc(-c2ccc3c(c2)[C@@H](O)CCO3)cc1F ZINC001240786224 821328049 /nfs/dbraw/zinc/32/80/49/821328049.db2.gz BREBIPYAXXGOGL-ZDUSSCGKSA-N -1 3 260.264 3.014 20 0 CGADHM [O-]c1ccc(-c2cc(F)cc3nccnc32)cc1F ZINC001240787404 821329883 /nfs/dbraw/zinc/32/98/83/821329883.db2.gz CHVPXAKDEDUWCM-UHFFFAOYSA-N -1 3 258.227 3.281 20 0 CGADHM COC(=O)c1c(F)cc(C)cc1-c1ccc([O-])c(F)c1 ZINC001240788588 821331561 /nfs/dbraw/zinc/33/15/61/821331561.db2.gz IKJLVSDQZWULBX-UHFFFAOYSA-N -1 3 278.254 3.432 20 0 CGADHM O=S1(=O)Cc2cc(-c3c(F)ccc(F)c3F)ccc2[N-]1 ZINC001241047336 821520662 /nfs/dbraw/zinc/52/06/62/821520662.db2.gz CQBQSGVXAOJHNX-UHFFFAOYSA-N -1 3 299.273 3.026 20 0 CGADHM COc1cc(C)c(-c2ccc(-c3nnn[n-]3)cc2)cc1C ZINC001241135682 821590186 /nfs/dbraw/zinc/59/01/86/821590186.db2.gz AEXCNPZIHFFBJG-UHFFFAOYSA-N -1 3 280.331 3.159 20 0 CGADHM COc1cc(C)c(-c2ccc(-c3nn[n-]n3)cc2)cc1C ZINC001241135682 821590189 /nfs/dbraw/zinc/59/01/89/821590189.db2.gz AEXCNPZIHFFBJG-UHFFFAOYSA-N -1 3 280.331 3.159 20 0 CGADHM CCOc1ccc(C)cc1-c1cccc(-c2nnn[n-]2)c1 ZINC001241147003 821600155 /nfs/dbraw/zinc/60/01/55/821600155.db2.gz AREUUGPIUMIZNG-UHFFFAOYSA-N -1 3 280.331 3.241 20 0 CGADHM CCOc1ccc(C)cc1-c1cccc(-c2nn[n-]n2)c1 ZINC001241147003 821600157 /nfs/dbraw/zinc/60/01/57/821600157.db2.gz AREUUGPIUMIZNG-UHFFFAOYSA-N -1 3 280.331 3.241 20 0 CGADHM [O-]c1cc(F)cc(-c2ncnc3c(F)cccc32)c1 ZINC001241255991 821675947 /nfs/dbraw/zinc/67/59/47/821675947.db2.gz IWHIHLGWOOTDIT-UHFFFAOYSA-N -1 3 258.227 3.281 20 0 CGADHM Cc1cccc2ncc(-c3cc([O-])cc(F)c3)nc12 ZINC001241255941 821676042 /nfs/dbraw/zinc/67/60/42/821676042.db2.gz HTXODNHCRAUGTL-UHFFFAOYSA-N -1 3 254.264 3.450 20 0 CGADHM COc1ccc2ncc(-c3cc([O-])cc(F)c3)nc2c1 ZINC001241255717 821676108 /nfs/dbraw/zinc/67/61/08/821676108.db2.gz AOOKFXWVQDUTOL-UHFFFAOYSA-N -1 3 270.263 3.150 20 0 CGADHM [O-]c1cc(F)cc(-c2ccnc(C(F)(F)F)n2)c1 ZINC001241257304 821677163 /nfs/dbraw/zinc/67/71/63/821677163.db2.gz IKABOYTXMUTLRK-UHFFFAOYSA-N -1 3 258.174 3.007 20 0 CGADHM Cc1ccc2ncc(-c3cc([O-])cc(F)c3)nc2c1 ZINC001241258357 821678027 /nfs/dbraw/zinc/67/80/27/821678027.db2.gz ZZBHELSEFOPLHJ-UHFFFAOYSA-N -1 3 254.264 3.450 20 0 CGADHM CC(C)(C)c1nc2c(ncnc2-c2cc([O-])cc(F)c2)[nH]1 ZINC001241261747 821680833 /nfs/dbraw/zinc/68/08/33/821680833.db2.gz PMPNEQXRHCYTFZ-UHFFFAOYSA-N -1 3 286.310 3.162 20 0 CGADHM [O-]c1cc(F)cc(-c2nc(C3CC3)nc3c2CCC3)c1 ZINC001241261204 821681654 /nfs/dbraw/zinc/68/16/54/821681654.db2.gz HAYRODQOFDHYDS-UHFFFAOYSA-N -1 3 270.307 3.354 20 0 CGADHM [O-]c1cc(F)cc(-c2ccc(-n3cccc3)cn2)c1 ZINC001241262477 821682164 /nfs/dbraw/zinc/68/21/64/821682164.db2.gz MPKDPPVWLXDWAN-UHFFFAOYSA-N -1 3 254.264 3.384 20 0 CGADHM O=C1CCCc2cc(-c3cc([O-])cc(F)c3)ccc2N1 ZINC001241276921 821695268 /nfs/dbraw/zinc/69/52/68/821695268.db2.gz DBZVWMAAQQNIIS-UHFFFAOYSA-N -1 3 271.291 3.473 20 0 CGADHM COc1cc(-c2cc([O-])cc(F)c2)c(NC(C)=O)cc1C ZINC001241282118 821700523 /nfs/dbraw/zinc/70/05/23/821700523.db2.gz IDEKANRLCYXFIQ-UHFFFAOYSA-N -1 3 289.306 3.474 20 0 CGADHM [O-]c1ccc(F)c(-c2cnc3scnc3c2)c1F ZINC001241292721 821709119 /nfs/dbraw/zinc/70/91/19/821709119.db2.gz IIMCIBQFTPTLOP-UHFFFAOYSA-N -1 3 264.256 3.342 20 0 CGADHM Cn1c(=O)ccc2ccc(-c3c(F)ccc([O-])c3F)cc21 ZINC001241295014 821712314 /nfs/dbraw/zinc/71/23/14/821712314.db2.gz FFSUEUSXQIGOFR-UHFFFAOYSA-N -1 3 287.265 3.189 20 0 CGADHM O=C1CCc2c(cccc2-c2c(F)ccc([O-])c2F)N1 ZINC001241293653 821713064 /nfs/dbraw/zinc/71/30/64/821713064.db2.gz YHLIOUSKIMJBPB-UHFFFAOYSA-N -1 3 275.254 3.222 20 0 CGADHM CC(C)Cn1cc(-c2c(F)ccc([O-])c2F)ccc1=O ZINC001241295298 821713982 /nfs/dbraw/zinc/71/39/82/821713982.db2.gz NAKCGJPOSQNFQQ-UHFFFAOYSA-N -1 3 279.286 3.155 20 0 CGADHM Fc1ccc2c(ccnc2-c2ccc(-c3nnn[n-]3)cc2)c1 ZINC001241441557 821836293 /nfs/dbraw/zinc/83/62/93/821836293.db2.gz MTOVBHFFXHLTPN-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Fc1ccc2c(ccnc2-c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001241441557 821836300 /nfs/dbraw/zinc/83/63/00/821836300.db2.gz MTOVBHFFXHLTPN-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Fc1ccc2ccc(-c3ccc(-c4nnn[n-]4)cc3)nc2c1 ZINC001241444624 821838381 /nfs/dbraw/zinc/83/83/81/821838381.db2.gz QWTYRSGUXGQXAV-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Fc1ccc2ccc(-c3ccc(-c4nn[n-]n4)cc3)nc2c1 ZINC001241444624 821838384 /nfs/dbraw/zinc/83/83/84/821838384.db2.gz QWTYRSGUXGQXAV-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Nc1ccc2cc(-c3ccc(-c4nnn[n-]4)cc3)ccc2c1 ZINC001241446613 821843291 /nfs/dbraw/zinc/84/32/91/821843291.db2.gz JNAJYJQGDKGFFL-UHFFFAOYSA-N -1 3 287.326 3.269 20 0 CGADHM Nc1ccc2cc(-c3ccc(-c4nn[n-]n4)cc3)ccc2c1 ZINC001241446613 821843299 /nfs/dbraw/zinc/84/32/99/821843299.db2.gz JNAJYJQGDKGFFL-UHFFFAOYSA-N -1 3 287.326 3.269 20 0 CGADHM Cc1n[nH]c2ccc(-c3ccc(C)c(-c4nn[n-]n4)c3)cc12 ZINC001241672005 822055259 /nfs/dbraw/zinc/05/52/59/822055259.db2.gz VXZJJXCGOLYMEA-UHFFFAOYSA-N -1 3 290.330 3.027 20 0 CGADHM Fc1cc(-c2ccc3c(c2)CCCN3)ccc1-c1nnn[n-]1 ZINC001241835832 822171779 /nfs/dbraw/zinc/17/17/79/822171779.db2.gz HFWPZSRIKVXYTR-UHFFFAOYSA-N -1 3 295.321 3.031 20 0 CGADHM Fc1cc(-c2ccc3c(c2)CCCN3)ccc1-c1nn[n-]n1 ZINC001241835832 822171785 /nfs/dbraw/zinc/17/17/85/822171785.db2.gz HFWPZSRIKVXYTR-UHFFFAOYSA-N -1 3 295.321 3.031 20 0 CGADHM Cc1cc(-c2ccc(-c3nnn[n-]3)cc2C)cc(C)c1N ZINC001241887694 822197388 /nfs/dbraw/zinc/19/73/88/822197388.db2.gz PSALPJPKOHMRIU-UHFFFAOYSA-N -1 3 279.347 3.041 20 0 CGADHM Cc1cc(-c2ccc(-c3nn[n-]n3)cc2C)cc(C)c1N ZINC001241887694 822197393 /nfs/dbraw/zinc/19/73/93/822197393.db2.gz PSALPJPKOHMRIU-UHFFFAOYSA-N -1 3 279.347 3.041 20 0 CGADHM CO[C@H](C)c1cccc(-c2ccc(Cc3nnn[n-]3)cc2)c1 ZINC001242037155 822298774 /nfs/dbraw/zinc/29/87/74/822298774.db2.gz MURHLIGZYNXHAS-GFCCVEGCSA-N -1 3 294.358 3.165 20 0 CGADHM CO[C@H](C)c1cccc(-c2ccc(Cc3nn[n-]n3)cc2)c1 ZINC001242037155 822298780 /nfs/dbraw/zinc/29/87/80/822298780.db2.gz MURHLIGZYNXHAS-GFCCVEGCSA-N -1 3 294.358 3.165 20 0 CGADHM Nc1ccnc(-c2cc(C(F)(F)F)ccc2[O-])c1 ZINC001242126762 822887207 /nfs/dbraw/zinc/88/72/07/822887207.db2.gz QSSVEXSODYVODH-UHFFFAOYSA-N -1 3 254.211 3.055 20 0 CGADHM [O-]c1ccc(-c2cccc3nncn32)cc1C(F)(F)F ZINC001242158181 822899216 /nfs/dbraw/zinc/89/92/16/822899216.db2.gz SCKXNPTUDMIPKD-UHFFFAOYSA-N -1 3 279.221 3.121 20 0 CGADHM CCC(=O)NCc1cccc(-c2ccc(F)cc2[O-])c1 ZINC001242217498 822914991 /nfs/dbraw/zinc/91/49/91/822914991.db2.gz CTZJFZDWNAHZBR-UHFFFAOYSA-N -1 3 273.307 3.225 20 0 CGADHM COC(=O)c1cc(C)ccc1-c1ccc(F)cc1[O-] ZINC001242218363 822915247 /nfs/dbraw/zinc/91/52/47/822915247.db2.gz BAYMPGJEBGIAGO-UHFFFAOYSA-N -1 3 260.264 3.293 20 0 CGADHM CN1Cc2ccc(-c3ccc(F)cc3[O-])cc2NC1=O ZINC001242218830 822915431 /nfs/dbraw/zinc/91/54/31/822915431.db2.gz BNQFMZPHZBUXKM-UHFFFAOYSA-N -1 3 272.279 3.176 20 0 CGADHM CC1(C)CC=C(c2ccccc2-c2nnn[n-]2)CC1 ZINC001242328034 822952261 /nfs/dbraw/zinc/95/22/61/822952261.db2.gz KLDIDLHNOWKBMW-UHFFFAOYSA-N -1 3 254.337 3.460 20 0 CGADHM CC1(C)CC=C(c2ccccc2-c2nn[n-]n2)CC1 ZINC001242328034 822952265 /nfs/dbraw/zinc/95/22/65/822952265.db2.gz KLDIDLHNOWKBMW-UHFFFAOYSA-N -1 3 254.337 3.460 20 0 CGADHM C[C@@H]1C(=O)Nc2cc(-c3cccc(F)c3[O-])ccc21 ZINC001242350900 822961166 /nfs/dbraw/zinc/96/11/66/822961166.db2.gz KSKFSKHADGHZPJ-QMMMGPOBSA-N -1 3 257.264 3.254 20 0 CGADHM COc1cc2nc[nH]c2cc1-c1cccc(F)c1[O-] ZINC001242351192 822961350 /nfs/dbraw/zinc/96/13/50/822961350.db2.gz QHUAOSLIQVRJKC-UHFFFAOYSA-N -1 3 258.252 3.083 20 0 CGADHM COC(=O)c1cc(-c2cccc(F)c2[O-])c(OC)cc1F ZINC001242350542 822961393 /nfs/dbraw/zinc/96/13/93/822961393.db2.gz GSJDHINNTAOASN-UHFFFAOYSA-N -1 3 294.253 3.133 20 0 CGADHM O=C1CSc2cc(-c3cccc(F)c3[O-])ccc2N1 ZINC001242351960 822961741 /nfs/dbraw/zinc/96/17/41/822961741.db2.gz DUZIQBCPMUSSOF-UHFFFAOYSA-N -1 3 275.304 3.243 20 0 CGADHM O=C1NCCC/C1=C\c1cccc(-c2cccc(F)c2[O-])c1 ZINC001242352215 822961898 /nfs/dbraw/zinc/96/18/98/822961898.db2.gz BBFVVLJOLXAMNI-SDNWHVSQSA-N -1 3 297.329 3.492 20 0 CGADHM CCOC(=O)Cc1ccc(-c2cccc(F)c2[O-])cc1 ZINC001242351816 822962191 /nfs/dbraw/zinc/96/21/91/822962191.db2.gz VKGZHOFJEASJQR-UHFFFAOYSA-N -1 3 274.291 3.304 20 0 CGADHM COc1cc(SC)c(-c2cccc(F)c2[O-])cn1 ZINC001242352961 822962656 /nfs/dbraw/zinc/96/26/56/822962656.db2.gz IMNQYXHOVPJHNS-UHFFFAOYSA-N -1 3 265.309 3.324 20 0 CGADHM COc1cc(-c2cccc(F)c2[O-])c(NC(C)=O)cc1C ZINC001242353953 822963458 /nfs/dbraw/zinc/96/34/58/822963458.db2.gz UBNAQDCLQWIENA-UHFFFAOYSA-N -1 3 289.306 3.474 20 0 CGADHM CC(C)n1nccc1-c1cc(C(F)(F)F)[n-]c(=S)n1 ZINC001242553331 823029761 /nfs/dbraw/zinc/02/97/61/823029761.db2.gz CCLUABLJRRSLML-UHFFFAOYSA-N -1 3 288.298 3.229 20 0 CGADHM Cc1noc([N-]C(=O)c2oc(C3CC3)nc2C(F)F)c1C ZINC001338684024 936330531 /nfs/dbraw/zinc/33/05/31/936330531.db2.gz POBPMGIFTZIHOK-UHFFFAOYSA-N -1 3 297.261 3.347 20 0 CGADHM O=C(NCc1ccc([O-])c(F)c1)C12CCC(CC1)CC2 ZINC001338904349 936338474 /nfs/dbraw/zinc/33/84/74/936338474.db2.gz FDSDLUQNDAVWOB-UHFFFAOYSA-N -1 3 277.339 3.118 20 0 CGADHM O=C([O-])CCCCCCCNCc1cccnc1Cl ZINC001339011169 936344088 /nfs/dbraw/zinc/34/40/88/936344088.db2.gz OLZLWXBKMFQNQL-UHFFFAOYSA-N -1 3 284.787 3.250 20 0 CGADHM O=C(c1cc([O-])c2ccccc2c1)N1CCCSC1 ZINC001339178799 936356164 /nfs/dbraw/zinc/35/61/64/936356164.db2.gz YRKLWWUYHZLYPH-UHFFFAOYSA-N -1 3 273.357 3.082 20 0 CGADHM CCOc1ccc(C(=O)Nc2c([O-])cccc2Cl)cn1 ZINC001347710370 936893406 /nfs/dbraw/zinc/89/34/06/936893406.db2.gz XLVVUQPJOYWICA-UHFFFAOYSA-N -1 3 292.722 3.092 20 0 CGADHM COc1ccc(OC(=O)c2cccc(Cl)c2[O-])cc1F ZINC001358113164 937188196 /nfs/dbraw/zinc/18/81/96/937188196.db2.gz QRQSNBPXVOCAEX-UHFFFAOYSA-N -1 3 296.681 3.413 20 0 CGADHM Cc1noc(C)c1[N-]C(=O)c1ncc(Cl)cc1Cl ZINC001434896572 937250198 /nfs/dbraw/zinc/25/01/98/937250198.db2.gz HLYIESAMWYXWEK-UHFFFAOYSA-N -1 3 286.118 3.246 20 0 CGADHM CSc1ccc([O-])c(C(=O)NC[C@H]2CC=CCC2)c1 ZINC001442413842 928874942 /nfs/dbraw/zinc/87/49/42/928874942.db2.gz PFCZZERXXNDJBD-NSHDSACASA-N -1 3 277.389 3.200 20 0 CGADHM CSc1ccc([O-])c(C(=O)NCCc2ccccc2)c1 ZINC001440557332 937331175 /nfs/dbraw/zinc/33/11/75/937331175.db2.gz HYIXUIPIEGDLMD-UHFFFAOYSA-N -1 3 287.384 3.087 20 0 CGADHM Cc1ccc(NC(=O)/C=C/c2ccc(C=O)cc2)c([O-])c1 ZINC001440586549 937331319 /nfs/dbraw/zinc/33/13/19/937331319.db2.gz AOVMXFLTRDFUAH-VQHVLOKHSA-N -1 3 281.311 3.165 20 0 CGADHM CCc1cccc(C(=O)Nc2n[nH]c3ccc(F)cc32)c1[O-] ZINC001443305113 937347010 /nfs/dbraw/zinc/34/70/10/937347010.db2.gz PQHAFXKOOCEJHI-UHFFFAOYSA-N -1 3 299.305 3.222 20 0 CGADHM CCCOc1cccc(CCNC(=O)c2ccccc2[O-])c1 ZINC001446394137 937362505 /nfs/dbraw/zinc/36/25/05/937362505.db2.gz REFDGDOOZUUBMM-UHFFFAOYSA-N -1 3 299.370 3.154 20 0 CGADHM C[C@@H](CC(=O)Nc1cccc([O-])c1F)c1ccco1 ZINC001446243433 937362721 /nfs/dbraw/zinc/36/27/21/937362721.db2.gz YNZQUHXPVSFBHP-VIFPVBQESA-N -1 3 263.268 3.257 20 0 CGADHM CCOCCO[N-]C(=O)CCCCc1ccc(Cl)cc1 ZINC001447958773 937371775 /nfs/dbraw/zinc/37/17/75/937371775.db2.gz MJOGTSMOZIYEKN-UHFFFAOYSA-N -1 3 299.798 3.137 20 0 CGADHM CSc1ccc([O-])c(C(=O)NC[C@H]2CC[C@H](C)C2)c1 ZINC001448893533 937377288 /nfs/dbraw/zinc/37/72/88/937377288.db2.gz XIVBFZDSJNQTSG-QWRGUYRKSA-N -1 3 279.405 3.280 20 0 CGADHM C[C@@H]1CC[C@@H](C(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)C[C@H]1C ZINC001450050215 937382874 /nfs/dbraw/zinc/38/28/74/937382874.db2.gz KJBRJEUUXQUZAC-GMTAPVOTSA-N -1 3 287.363 3.279 20 0 CGADHM C[C@H](NC(=O)c1ccccc1[O-])[C@H]1CCC[C@H](C)C1 ZINC001451545036 937391294 /nfs/dbraw/zinc/39/12/94/937391294.db2.gz XNSKNWDACGRYDP-AVGNSLFASA-N -1 3 261.365 3.337 20 0 CGADHM O=C([N-]c1c(F)ccnc1F)c1cscc1Cl ZINC001460585151 937535921 /nfs/dbraw/zinc/53/59/21/937535921.db2.gz VRMDXSGJXMXOOR-UHFFFAOYSA-N -1 3 274.679 3.327 20 0 CGADHM C[C@@H](Oc1cccc([O-])c1Br)c1cncnc1 ZINC001229141688 932104312 /nfs/dbraw/zinc/10/43/12/932104312.db2.gz MBZAHELZPRTQIF-MRVPVSSYSA-N -1 3 295.136 3.085 20 0 CGADHM CCC[C@@H](Oc1ccc(-c2nnn[n-]2)cc1OC)C(C)C ZINC001229337384 932135994 /nfs/dbraw/zinc/13/59/94/932135994.db2.gz FLUGILCQNDGEPT-GFCCVEGCSA-N -1 3 290.367 3.079 20 0 CGADHM CCC[C@@H](Oc1ccc(-c2nn[n-]n2)cc1OC)C(C)C ZINC001229337384 932135999 /nfs/dbraw/zinc/13/59/99/932135999.db2.gz FLUGILCQNDGEPT-GFCCVEGCSA-N -1 3 290.367 3.079 20 0 CGADHM Cc1nc(O[C@H](c2ccccc2)C(F)(F)F)c(C)c(=O)[n-]1 ZINC001229685896 932188487 /nfs/dbraw/zinc/18/84/87/932188487.db2.gz PDLZZZUCGVILHM-LLVKDONJSA-N -1 3 298.264 3.481 20 0 CGADHM Cc1nc(OC2CCC(C(F)(F)F)CC2)c(C)c(=O)[n-]1 ZINC001229686547 932469639 /nfs/dbraw/zinc/46/96/39/932469639.db2.gz SNTBYIQZELJALI-UHFFFAOYSA-N -1 3 290.285 3.299 20 0 CGADHM c1ccc(-c2nnn[n-]2)c(O[C@@H]2CCC=CCCC2)c1 ZINC001229954490 932509827 /nfs/dbraw/zinc/50/98/27/932509827.db2.gz LIWRCGINNUDCON-GFCCVEGCSA-N -1 3 270.336 3.134 20 0 CGADHM c1ccc(-c2nn[n-]n2)c(O[C@@H]2CCC=CCCC2)c1 ZINC001229954490 932509829 /nfs/dbraw/zinc/50/98/29/932509829.db2.gz LIWRCGINNUDCON-GFCCVEGCSA-N -1 3 270.336 3.134 20 0 CGADHM Cc1ccc([C@@H](C)Oc2nc(=O)[n-]c3c2SCC3)cc1 ZINC001230791352 932624714 /nfs/dbraw/zinc/62/47/14/932624714.db2.gz BRQRMBPMWYWYRM-SNVBAGLBSA-N -1 3 288.372 3.279 20 0 CGADHM c1ccc2c(c1)CCC[C@@H]2Oc1ccc(-c2nn[n-]n2)cc1 ZINC001231074271 932672316 /nfs/dbraw/zinc/67/23/16/932672316.db2.gz SRCFYBDUWAQGCA-INIZCTEOSA-N -1 3 292.342 3.323 20 0 CGADHM C[C@@H]1CCC[C@H](C)[C@H]1Oc1ccc(-c2nn[n-]n2)cc1 ZINC001231076775 932673137 /nfs/dbraw/zinc/67/31/37/932673137.db2.gz MERNOWOWBNPWHY-YABSGUDNSA-N -1 3 272.352 3.070 20 0 CGADHM c1ccc2c(c1)CCC[C@H]2Oc1ccc(-c2nn[n-]n2)cc1 ZINC001231074272 932673398 /nfs/dbraw/zinc/67/33/98/932673398.db2.gz SRCFYBDUWAQGCA-MRXNPFEDSA-N -1 3 292.342 3.323 20 0 CGADHM CC(C)(C)ON=C([O-])N=c1s[nH]c2ccccc21 ZINC001333454667 932758269 /nfs/dbraw/zinc/75/82/69/932758269.db2.gz JGENFOIHQVHKST-UHFFFAOYSA-N -1 3 265.338 3.148 20 0 CGADHM O=C([N-]OCCOc1ccccc1)C1(C2CCC2)CCC1 ZINC001305279438 932863720 /nfs/dbraw/zinc/86/37/20/932863720.db2.gz PEIHEUBVLOOYPU-UHFFFAOYSA-N -1 3 289.375 3.084 20 0 CGADHM [O-]C(=NO[C@H]1CCCCO1)Nc1ccc2sccc2c1 ZINC001309988671 933249111 /nfs/dbraw/zinc/24/91/11/933249111.db2.gz SFDJHXZUQYPVPR-ZDUSSCGKSA-N -1 3 292.360 3.481 20 0 CGADHM O=C([N-]O[C@H]1CCCCO1)Nc1ccc2sccc2c1 ZINC001309988671 933249115 /nfs/dbraw/zinc/24/91/15/933249115.db2.gz SFDJHXZUQYPVPR-ZDUSSCGKSA-N -1 3 292.360 3.481 20 0 CGADHM CCC[C@H](C)NC(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC001464266657 937688355 /nfs/dbraw/zinc/68/83/55/937688355.db2.gz GBJKRQCZRQRGGH-VIFPVBQESA-N -1 3 292.766 3.100 20 0 CGADHM Cc1cccc([O-])c1C(=O)N[C@H]1C[C@@H]1C1CCCCC1 ZINC001465515116 937701355 /nfs/dbraw/zinc/70/13/55/937701355.db2.gz GPXIKHLDHYXIDE-KGLIPLIRSA-N -1 3 273.376 3.399 20 0 CGADHM CCCCCC[C@H](CC)C(=O)Nc1c(C)[nH]c(=O)[n-]c1=O ZINC001465650477 937702880 /nfs/dbraw/zinc/70/28/80/937702880.db2.gz LCYWKTJOLWGOCA-NSHDSACASA-N -1 3 295.383 3.131 20 0 CGADHM O=C([N-][C@H]1C=CCCC1)C(F)(F)c1c(F)cccc1F ZINC001319607859 933900708 /nfs/dbraw/zinc/90/07/08/933900708.db2.gz NRSYZYGPCWVKNE-VIFPVBQESA-N -1 3 287.256 3.282 20 0 CGADHM COc1ccc(C(=O)N[C@@H](C)CCC=C(C)C)c([O-])c1 ZINC001468195246 937725459 /nfs/dbraw/zinc/72/54/59/937725459.db2.gz JUCRYTVQYOTWCP-LBPRGKRZSA-N -1 3 277.364 3.266 20 0 CGADHM C[C@@H](Cc1cccc(F)c1)N(C)C(=O)c1ccccc1[O-] ZINC001468858021 937732305 /nfs/dbraw/zinc/73/23/05/937732305.db2.gz OMZVRGBFEKHPKM-LBPRGKRZSA-N -1 3 287.334 3.235 20 0 CGADHM CC[C@@H](NC(=O)c1ccc(C)cc1[O-])[C@@H]1CC1(C)C ZINC001469143151 937735807 /nfs/dbraw/zinc/73/58/07/937735807.db2.gz VCGDBVXWCPOIFR-QWHCGFSZSA-N -1 3 261.365 3.255 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2ccc3c(c2)N(C)CC3)c1 ZINC001546175204 937740929 /nfs/dbraw/zinc/74/09/29/937740929.db2.gz ISMYRKDAEYQHDH-UHFFFAOYSA-N -1 3 296.370 3.199 20 0 CGADHM CCc1ccc(C(=O)N[C@@H]2CCCC23CC3)c([O-])c1 ZINC001470950895 937759983 /nfs/dbraw/zinc/75/99/83/937759983.db2.gz SCIFAMONGCMMOV-CQSZACIVSA-N -1 3 259.349 3.017 20 0 CGADHM CCc1cccc(C(=O)N(C)[C@H]2CC[C@@H](SC)C2)c1[O-] ZINC001324764407 934564923 /nfs/dbraw/zinc/56/49/23/934564923.db2.gz OOIHHTCGWNIAMH-QWHCGFSZSA-N -1 3 293.432 3.311 20 0 CGADHM CCc1ccc(C(=O)N(C)[C@@H]2CC[C@@H](SC)C2)c([O-])c1 ZINC001326159433 934954722 /nfs/dbraw/zinc/95/47/22/934954722.db2.gz AKNZDHWQHLCNGU-CHWSQXEVSA-N -1 3 293.432 3.311 20 0 CGADHM CC(C)c1nc(CN[C@H](CC(=O)[O-])C(C)(C)C)cs1 ZINC001326324446 934970353 /nfs/dbraw/zinc/97/03/53/934970353.db2.gz YOSGDQRHUGMDHS-LLVKDONJSA-N -1 3 284.425 3.246 20 0 CGADHM CCc1cnc(CN[C@H]2C[C@@H](CCC(=O)[O-])C2(C)C)s1 ZINC001327015850 935022504 /nfs/dbraw/zinc/02/25/04/935022504.db2.gz CIRUTPFLSOTGHJ-PWSUYJOCSA-N -1 3 296.436 3.075 20 0 CGADHM CC(C)(C)O[N-]C(=O)[C@H]1CCN(c2ccccc2Cl)C1 ZINC001329997689 935260119 /nfs/dbraw/zinc/26/01/19/935260119.db2.gz BITGOOKVIJRMTR-NSHDSACASA-N -1 3 296.798 3.013 20 0 CGADHM C[C@@H](CCC(=O)[O-])CNCc1nc(C(C)(C)C)cs1 ZINC001331910730 935421159 /nfs/dbraw/zinc/42/11/59/935421159.db2.gz FSIQHCLSWBQBLU-JTQLQIEISA-N -1 3 284.425 3.031 20 0 CGADHM C[C@@H](Nc1cc(=O)[n-]cn1)c1nc(C(C)(C)C)cs1 ZINC001334157674 936087929 /nfs/dbraw/zinc/08/79/29/936087929.db2.gz VRCADPQZNHXTAX-MRVPVSSYSA-N -1 3 278.381 3.109 20 0 CGADHM COc1cccc(NCc2c(F)ccc([O-])c2F)c1OC ZINC001474705295 937876153 /nfs/dbraw/zinc/87/61/53/937876153.db2.gz LCIRUMOVGDVRBV-UHFFFAOYSA-N -1 3 295.285 3.300 20 0 CGADHM O=C(CCCCc1cccc(O)c1)[N-]OC1CCCC1 ZINC001528089514 938065577 /nfs/dbraw/zinc/06/55/77/938065577.db2.gz XZJOHAXSPNSXEI-UHFFFAOYSA-N -1 3 277.364 3.095 20 0 CGADHM CSc1cc(F)ccc1[N-]C(=O)c1ncccc1F ZINC001529659886 938074007 /nfs/dbraw/zinc/07/40/07/938074007.db2.gz AKAIVGLSTYIEAY-UHFFFAOYSA-N -1 3 280.299 3.334 20 0 CGADHM Cc1ccccc1C[C@@H](C)NC(=O)c1c(C)cccc1[O-] ZINC001544795190 938147010 /nfs/dbraw/zinc/14/70/10/938147010.db2.gz NLUARZQOWCBFNN-CQSZACIVSA-N -1 3 283.371 3.370 20 0 CGADHM COc1cccc([O-])c1C(=O)NCCCCC1CCCC1 ZINC001544814814 938147089 /nfs/dbraw/zinc/14/70/89/938147089.db2.gz QLQAJIKQRLMTCN-UHFFFAOYSA-N -1 3 291.391 3.491 20 0 CGADHM O=C(Nc1n[nH]cc1C1CC1)c1cc([O-])c2ccccc2c1 ZINC001557184917 938208434 /nfs/dbraw/zinc/20/84/34/938208434.db2.gz VKFOUXWSJAVCPN-UHFFFAOYSA-N -1 3 293.326 3.398 20 0 CGADHM CCCCc1ccc(C(=O)CCC(=O)[N-]OCCC)cc1 ZINC001557192780 938208480 /nfs/dbraw/zinc/20/84/80/938208480.db2.gz HMOQUSIHMKPOIM-UHFFFAOYSA-N -1 3 291.391 3.450 20 0 CGADHM COc1ccc(C(=O)NCC2C[C@@H](C)C[C@H](C)C2)c([O-])c1 ZINC001557420115 938209824 /nfs/dbraw/zinc/20/98/24/938209824.db2.gz NZISEVICQSHPAT-RYUDHWBXSA-N -1 3 291.391 3.203 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2ccc3c(c2)COC(=O)N3)c1 ZINC001557504526 938210336 /nfs/dbraw/zinc/21/03/36/938210336.db2.gz ZGVYZZVNAYVPFK-UHFFFAOYSA-N -1 3 298.298 3.015 20 0 CGADHM Cc1ccc2oc(CNC(=O)c3ccccc3[O-])cc2c1 ZINC001557512546 938210430 /nfs/dbraw/zinc/21/04/30/938210430.db2.gz HWTKPRYLCPOMDF-UHFFFAOYSA-N -1 3 281.311 3.377 20 0 CGADHM CCNc1ccc(NC(=O)c2ccc(CC)cc2[O-])cn1 ZINC001558652168 938217000 /nfs/dbraw/zinc/21/70/00/938217000.db2.gz MLLUACJRDIBMOR-UHFFFAOYSA-N -1 3 285.347 3.034 20 0 CGADHM O=C(NC[C@@H]1C[C@@H]1Cc1ccccc1)c1ccccc1[O-] ZINC001558809021 938217904 /nfs/dbraw/zinc/21/79/04/938217904.db2.gz ZGHJFNHKDQBUID-GJZGRUSLSA-N -1 3 281.355 3.001 20 0 CGADHM CC(C)=CCOc1cccc(CC(=O)[N-]OCC(C)C)c1 ZINC001558956159 938218697 /nfs/dbraw/zinc/21/86/97/938218697.db2.gz AVNHLLJXPQWJLH-UHFFFAOYSA-N -1 3 291.391 3.278 20 0 CGADHM [O-]c1ccc(CNCC2(C(F)(F)F)CC2)c(F)c1F ZINC001560822254 938277950 /nfs/dbraw/zinc/27/79/50/938277950.db2.gz ANXDXDUGBJHBOI-UHFFFAOYSA-N -1 3 281.224 3.103 20 0 CGADHM c1cc(N[C@H]2CCCC23CCC3)cc(-c2nnn[n-]2)c1 ZINC000394859963 944631985 /nfs/dbraw/zinc/63/19/85/944631985.db2.gz LAOLBICRPNPLAO-ZDUSSCGKSA-N -1 3 269.352 3.001 20 0 CGADHM c1cc(N[C@H]2CCCC23CCC3)cc(-c2nn[n-]n2)c1 ZINC000394859963 944631989 /nfs/dbraw/zinc/63/19/89/944631989.db2.gz LAOLBICRPNPLAO-ZDUSSCGKSA-N -1 3 269.352 3.001 20 0 CGADHM CCOc1cccc(Cl)c1CN1[C@H](C)CC[C@@H]1C(=O)[O-] ZINC001592993934 951386646 /nfs/dbraw/zinc/38/66/46/951386646.db2.gz ZHUDAHIBWWGCTH-ZWNOBZJWSA-N -1 3 297.782 3.176 20 0 CGADHM C[C@@H](C1CC1)N(C)Cc1cccc(C(=O)[O-])c1Cl ZINC000381830228 971781744 /nfs/dbraw/zinc/78/17/44/971781744.db2.gz GDDROOSSRHFREG-VIFPVBQESA-N -1 3 267.756 3.269 20 0 CGADHM Cc1ncc([C@H](C)NCc2ccccc2C(=O)[O-])s1 ZINC001594468496 960518220 /nfs/dbraw/zinc/51/82/20/960518220.db2.gz XLTHHVIIKVDELE-VIFPVBQESA-N -1 3 276.361 3.001 20 0 CGADHM CC[C@](C)(CC(=O)[O-])NCc1c(F)ccc(C)c1F ZINC001594825885 960521598 /nfs/dbraw/zinc/52/15/98/960521598.db2.gz WKPPIEKYRHITIH-CQSZACIVSA-N -1 3 271.307 3.006 20 0 CGADHM CSc1ccc([O-])c(C(=O)N[C@@H]2C[C@@H]2c2ccccc2)c1 ZINC001568335118 961554716 /nfs/dbraw/zinc/55/47/16/961554716.db2.gz XEGYDWIOACFGNK-UKRRQHHQSA-N -1 3 299.395 3.400 20 0 CGADHM CSCCO[N-]C(=O)[C@@](C)(Cc1ccccc1)C(C)C ZINC001568543860 961617491 /nfs/dbraw/zinc/61/74/91/961617491.db2.gz OMMLGRAVXAHHKV-INIZCTEOSA-N -1 3 295.448 3.302 20 0 CGADHM CSc1cc(C(=O)Nc2cccc(C(C)=O)c2[O-])co1 ZINC001569928495 961871452 /nfs/dbraw/zinc/87/14/52/961871452.db2.gz VZVVQWUBJCVMEG-UHFFFAOYSA-N -1 3 291.328 3.162 20 0 CGADHM Cc1ccc(C)c(CNc2cccc(-c3nnn[n-]3)c2C)c1 ZINC001581180911 962753641 /nfs/dbraw/zinc/75/36/41/962753641.db2.gz FLWLCHCCCUVVMZ-UHFFFAOYSA-N -1 3 293.374 3.404 20 0 CGADHM Cc1ccc(C)c(CNc2cccc(-c3nn[n-]n3)c2C)c1 ZINC001581180911 962753656 /nfs/dbraw/zinc/75/36/56/962753656.db2.gz FLWLCHCCCUVVMZ-UHFFFAOYSA-N -1 3 293.374 3.404 20 0 CGADHM Cc1cc(F)c(-c2nnn[n-]2)c(N[C@@H]2CCC[C@@H](F)C2)c1 ZINC001580930827 962753693 /nfs/dbraw/zinc/75/36/93/962753693.db2.gz MHHSVIHHBIXUMT-NXEZZACHSA-N -1 3 293.321 3.007 20 0 CGADHM Cc1cc(F)c(-c2nn[n-]n2)c(N[C@@H]2CCC[C@@H](F)C2)c1 ZINC001580930827 962753709 /nfs/dbraw/zinc/75/37/09/962753709.db2.gz MHHSVIHHBIXUMT-NXEZZACHSA-N -1 3 293.321 3.007 20 0 CGADHM Cc1ccc(SCC2CC(F)(F)C2)c(-c2nnn[n-]2)c1 ZINC001581213654 962756863 /nfs/dbraw/zinc/75/68/63/962756863.db2.gz DGINQHPTXAKXPY-UHFFFAOYSA-N -1 3 296.346 3.313 20 0 CGADHM Cc1ccc(SCC2CC(F)(F)C2)c(-c2nn[n-]n2)c1 ZINC001581213654 962756878 /nfs/dbraw/zinc/75/68/78/962756878.db2.gz DGINQHPTXAKXPY-UHFFFAOYSA-N -1 3 296.346 3.313 20 0 CGADHM O=C([N-]c1ccnc(Cl)c1F)c1ccc(Cl)o1 ZINC001583592481 962826772 /nfs/dbraw/zinc/82/67/72/962826772.db2.gz VAZMRWMDNFMTPG-UHFFFAOYSA-N -1 3 275.066 3.373 20 0 CGADHM CCCc1ccccc1C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC001584910549 962963375 /nfs/dbraw/zinc/96/33/75/962963375.db2.gz BXQKPWUKGDDJOE-UHFFFAOYSA-N -1 3 296.330 3.270 20 0 CGADHM C/C(=C/CN1CC[C@@H](c2cccc(Cl)c2)C1)C(=O)[O-] ZINC001588960169 963334974 /nfs/dbraw/zinc/33/49/74/963334974.db2.gz YFJOTAXTYQEXDZ-ZRVMKQEGSA-N -1 3 279.767 3.160 20 0 CGADHM C/C(=C\CN[C@@H]1CC2(CCC2)Oc2ccccc21)C(=O)[O-] ZINC001588981899 963338809 /nfs/dbraw/zinc/33/88/09/963338809.db2.gz IDPQZBPPBBKWDR-WEKMIXOTSA-N -1 3 287.359 3.053 20 0 CGADHM CC(C)(C)CC(=O)Nc1ccc(C2CC2)c(-c2nnn[n-]2)c1 ZINC001589115978 963344439 /nfs/dbraw/zinc/34/44/39/963344439.db2.gz FZSFSVMWZRLIGD-UHFFFAOYSA-N -1 3 299.378 3.119 20 0 CGADHM CC(C)(C)CC(=O)Nc1ccc(C2CC2)c(-c2nn[n-]n2)c1 ZINC001589115978 963344451 /nfs/dbraw/zinc/34/44/51/963344451.db2.gz FZSFSVMWZRLIGD-UHFFFAOYSA-N -1 3 299.378 3.119 20 0 CGADHM CC(C)COCSc1ccc(-c2nnn[n-]2)cc1Cl ZINC001589647168 964012253 /nfs/dbraw/zinc/01/22/53/964012253.db2.gz BVIWGITUARPPPJ-UHFFFAOYSA-N -1 3 298.799 3.242 20 0 CGADHM CC(C)COCSc1ccc(-c2nn[n-]n2)cc1Cl ZINC001589647168 964012260 /nfs/dbraw/zinc/01/22/60/964012260.db2.gz BVIWGITUARPPPJ-UHFFFAOYSA-N -1 3 298.799 3.242 20 0 CGADHM CCOc1cccc(Cl)c1CN1CCCC[C@@H]1C(=O)[O-] ZINC001603876053 974377791 /nfs/dbraw/zinc/37/77/91/974377791.db2.gz SBKHITUOGPFGBK-CYBMUJFWSA-N -1 3 297.782 3.178 20 0 CGADHM CC[C@H](N[C@H](C(=O)[O-])c1cccnc1)c1ccc(C)cc1 ZINC001595277681 980307824 /nfs/dbraw/zinc/30/78/24/980307824.db2.gz XVCUMCDDUWTOOY-HOTGVXAUSA-N -1 3 284.359 3.257 20 0 CGADHM CC[C@H](NCc1cccnc1)c1ccc(C(=O)[O-])cc1 ZINC001595304169 980437755 /nfs/dbraw/zinc/43/77/55/980437755.db2.gz ADOLTVUVVCONTA-HNNXBMFYSA-N -1 3 270.332 3.021 20 0 CGADHM CCOc1cccc(Cl)c1CN[C@](C)(CC)C(=O)[O-] ZINC001597155156 986947048 /nfs/dbraw/zinc/94/70/48/986947048.db2.gz HBVVYTMBBOJNIM-CQSZACIVSA-N -1 3 285.771 3.082 20 0 CGADHM CCOc1cccc(Cl)c1CNC(C)(C)CC(=O)[O-] ZINC001597155855 986954611 /nfs/dbraw/zinc/95/46/11/986954611.db2.gz UCYKKDGNUIESDR-UHFFFAOYSA-N -1 3 285.771 3.082 20 0 CGADHM CCc1[nH]c(CN(C)[C@@H]2CCc3ccccc32)cc1C(=O)[O-] ZINC001597380695 987578530 /nfs/dbraw/zinc/57/85/30/987578530.db2.gz WPKSFBQRIFFQEX-QGZVFWFLSA-N -1 3 298.386 3.395 20 0 CGADHM CCc1[nH]c(CNCc2cccc3cc[nH]c32)cc1C(=O)[O-] ZINC001597395396 987647541 /nfs/dbraw/zinc/64/75/41/987647541.db2.gz UJMMJTJJVKSZOZ-UHFFFAOYSA-N -1 3 297.358 3.046 20 0 CGADHM CSc1ccccc1[C@@H](C)NCc1ccc(C(=O)[O-])[nH]1 ZINC001599826620 988607404 /nfs/dbraw/zinc/60/74/04/988607404.db2.gz WTBMFOJESZOSBQ-SNVBAGLBSA-N -1 3 290.388 3.286 20 0 CGADHM CC(C)(NCC1CCCCCC1)c1nocc1C(=O)[O-] ZINC001590871189 990776101 /nfs/dbraw/zinc/77/61/01/990776101.db2.gz ZVKGMKKBQXYIIA-UHFFFAOYSA-N -1 3 280.368 3.168 20 0 CGADHM CC(C)C[C@]1(C)CCCN1Cc1ncc(C(=O)[O-])s1 ZINC001591196937 992013988 /nfs/dbraw/zinc/01/39/88/992013988.db2.gz OVIMQTCWYZEPEJ-AWEZNQCLSA-N -1 3 282.409 3.242 20 0 CGADHM C[C@H](NCc1c(Cl)cccc1Cl)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001593286322 994644075 /nfs/dbraw/zinc/64/40/75/994644075.db2.gz QKPPLKGGDHSLTF-CIUDSAMLSA-N -1 3 288.174 3.192 20 0 CGADHM CC1(C)Nc2ccccc2[C@H]1NCc1ccc(C(=O)[O-])cc1 ZINC001593973345 997149822 /nfs/dbraw/zinc/14/98/22/997149822.db2.gz PCVQUVUCUSAJFN-MRXNPFEDSA-N -1 3 296.370 3.420 20 0 CGADHM CO[C@@H]1CCCC[C@H]1NCc1cc(C(=O)[O-])ccc1Cl ZINC001599322165 997600524 /nfs/dbraw/zinc/60/05/24/997600524.db2.gz KAYAKIDMCKXFDE-ZIAGYGMSSA-N -1 3 297.782 3.085 20 0 CGADHM COc1ccc(Cl)c(CN(C)C(C)(C)CC(=O)[O-])c1 ZINC001599577189 998464716 /nfs/dbraw/zinc/46/47/16/998464716.db2.gz WRYGDXCCOLFAPR-UHFFFAOYSA-N -1 3 285.771 3.034 20 0 CGADHM C[C@@H](c1ncc(C(=O)[O-])s1)N(C)[C@@H]1CCCC[C@H]1C ZINC001594366768 999386089 /nfs/dbraw/zinc/38/60/89/999386089.db2.gz RBMZVJOGRTUNQD-OUAUKWLOSA-N -1 3 282.409 3.413 20 0 CGADHM Cc1cccc(C(=O)N2CC3CC2(c2ccccc2)C3)c1[O-] ZINC000621014250 349443506 /nfs/dbraw/zinc/44/35/06/349443506.db2.gz MLXKVKLZYBOVAZ-UHFFFAOYSA-N -1 3 293.366 3.462 20 0 CGADHM CN(C[C@H]1CC1(C)C)C(=O)c1cc([O-])ccc1Cl ZINC000621044737 349449866 /nfs/dbraw/zinc/44/98/66/349449866.db2.gz SIQVDPWPJRRNTL-SECBINFHSA-N -1 3 267.756 3.164 20 0 CGADHM CC(C)(C)c1ccc(NC(=O)c2cscn2)c([O-])c1 ZINC000337409859 214063113 /nfs/dbraw/zinc/06/31/13/214063113.db2.gz KXIRIYUVQKEACP-UHFFFAOYSA-N -1 3 276.361 3.399 20 0 CGADHM Cc1cccc(C(=O)N2CCOc3ccccc3[C@H]2C)c1[O-] ZINC000621141868 349462861 /nfs/dbraw/zinc/46/28/61/349462861.db2.gz MFSUYJXOIJLZEF-CYBMUJFWSA-N -1 3 297.354 3.296 20 0 CGADHM C[C@@H](C1CC1)N(C)C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621420838 349524577 /nfs/dbraw/zinc/52/45/77/349524577.db2.gz VRUDPQHBDPLNFQ-QMMMGPOBSA-N -1 3 287.281 3.282 20 0 CGADHM O=C([C@H]1C[C@@H]1C1CCCC1)N1CCCc2cccc([O-])c21 ZINC000651620925 398258994 /nfs/dbraw/zinc/25/89/94/398258994.db2.gz ZCSDKQUFIXFYNQ-CABCVRRESA-N -1 3 285.387 3.498 20 0 CGADHM Cc1cccc([O-])c1NC(=O)COC[C@@H](C)c1ccccc1 ZINC000651637876 398259620 /nfs/dbraw/zinc/25/96/20/398259620.db2.gz CCJBAMZWCWYVGL-CQSZACIVSA-N -1 3 299.370 3.459 20 0 CGADHM COCC1(c2nc(-c3ccc([O-])cc3)no2)CCCCC1 ZINC000621745136 349579450 /nfs/dbraw/zinc/57/94/50/349579450.db2.gz ZWQSDUDZGQGBQF-UHFFFAOYSA-N -1 3 288.347 3.291 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)C1CCC(C2CC2)CC1 ZINC000622122904 349632379 /nfs/dbraw/zinc/63/23/79/349632379.db2.gz VUGKAUBTKIFLCF-UHFFFAOYSA-N -1 3 289.423 3.418 20 0 CGADHM O=C(c1c([O-])cccc1O)N1CCCC2(CCCC2)CC1 ZINC000622138246 349634269 /nfs/dbraw/zinc/63/42/69/349634269.db2.gz MKVJTOHQHSTHLZ-UHFFFAOYSA-N -1 3 289.375 3.284 20 0 CGADHM CCC(CC)CCCN(C)C(=O)c1cc(F)c[n-]c1=O ZINC000622179862 349642032 /nfs/dbraw/zinc/64/20/32/349642032.db2.gz RBKKOVFMAUSYDJ-UHFFFAOYSA-N -1 3 282.359 3.215 20 0 CGADHM CCc1cccc(C(=O)N2CC(C)(c3ccccc3)C2)c1[O-] ZINC000622210627 349652018 /nfs/dbraw/zinc/65/20/18/349652018.db2.gz ZOBFFQSKMPPWFN-UHFFFAOYSA-N -1 3 295.382 3.368 20 0 CGADHM CC1CC(CNC(=O)c2cc([O-])ccc2C(F)(F)F)C1 ZINC000622238099 349655805 /nfs/dbraw/zinc/65/58/05/349655805.db2.gz BIVVOPZJUNHJSL-UHFFFAOYSA-N -1 3 287.281 3.187 20 0 CGADHM C[C@H](C1CC1)N(C)C(=O)c1cc([O-])ccc1C(F)(F)F ZINC000622291776 349668821 /nfs/dbraw/zinc/66/88/21/349668821.db2.gz XLGKRAMCVFIEJB-MRVPVSSYSA-N -1 3 287.281 3.282 20 0 CGADHM Cc1ccc(NC(=O)Cc2ccc([O-])c(F)c2)cc1C ZINC000622273643 349666291 /nfs/dbraw/zinc/66/62/91/349666291.db2.gz XIIRABVBEZRFEJ-UHFFFAOYSA-N -1 3 273.307 3.329 20 0 CGADHM CCCc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000622476151 349681991 /nfs/dbraw/zinc/68/19/91/349681991.db2.gz BAHUDQSGAHKONT-UHFFFAOYSA-N -1 3 276.361 3.362 20 0 CGADHM CCc1cc(C(=O)N2CC3(CCC3)[C@H]2C2CC2)ccc1[O-] ZINC000366375468 529511566 /nfs/dbraw/zinc/51/15/66/529511566.db2.gz YWKUZHCVDMKUQB-MRXNPFEDSA-N -1 3 285.387 3.359 20 0 CGADHM CCc1ccc(C(=O)N[C@H](C)CC(F)(F)F)c([O-])c1 ZINC000436841502 529607772 /nfs/dbraw/zinc/60/77/72/529607772.db2.gz SKRLNCPPSJXKHU-MRVPVSSYSA-N -1 3 275.270 3.025 20 0 CGADHM CCc1ccc(CN[C@H](C)CCC[C@@H](C)C(=O)[O-])o1 ZINC000426694318 529656986 /nfs/dbraw/zinc/65/69/86/529656986.db2.gz IGQCZJROTWOREH-VXGBXAGGSA-N -1 3 267.369 3.211 20 0 CGADHM CCc1ccc(NC(=O)c2cccc(OC)c2[O-])cc1F ZINC000436489319 529687023 /nfs/dbraw/zinc/68/70/23/529687023.db2.gz VJZVDJKATAEQGJ-UHFFFAOYSA-N -1 3 289.306 3.355 20 0 CGADHM CCc1nc(Cc2nc(-c3ccc([O-])cc3)no2)cs1 ZINC000436779781 529741832 /nfs/dbraw/zinc/74/18/32/529741832.db2.gz YJDVBFXWUUTQHP-UHFFFAOYSA-N -1 3 287.344 3.052 20 0 CGADHM COc1cccc(C(=O)N[C@H]2CCc3ccc(C)cc32)c1[O-] ZINC000592665546 347005304 /nfs/dbraw/zinc/00/53/04/347005304.db2.gz VYKTWTPLDRWUGL-HNNXBMFYSA-N -1 3 297.354 3.127 20 0 CGADHM CCCCS[C@@H](C)C(=O)N=c1[nH][n-]c(C(C)C)c1C ZINC000592950377 347022729 /nfs/dbraw/zinc/02/27/29/347022729.db2.gz OEFDVEKXEVPRNO-NSHDSACASA-N -1 3 283.441 3.124 20 0 CGADHM C[C@@H]1C[C@@H](C)N1C(=O)c1cc([O-])ccc1C(F)(F)F ZINC000334947696 297235800 /nfs/dbraw/zinc/23/58/00/297235800.db2.gz NGNJUFSBGCDHMB-HTQZYQBOSA-N -1 3 273.254 3.034 20 0 CGADHM C[C@@H](NC(=O)c1ccccc1[O-])c1ccc(F)cc1F ZINC000023546062 344897843 /nfs/dbraw/zinc/89/78/43/344897843.db2.gz VZDDIYIQQCJJSW-SECBINFHSA-N -1 3 277.270 3.161 20 0 CGADHM Cc1ccc(C(=O)NCC2(c3ccccc3)CC2)c([O-])c1 ZINC000025324914 344901859 /nfs/dbraw/zinc/90/18/59/344901859.db2.gz JXGGJIQGQCUEPZ-UHFFFAOYSA-N -1 3 281.355 3.162 20 0 CGADHM CCN(C(=O)c1cc(-c2ccco2)[n-]n1)c1ccc(F)cc1 ZINC000032332610 344931325 /nfs/dbraw/zinc/93/13/25/344931325.db2.gz HOUKTHMZWVIXIP-UHFFFAOYSA-N -1 3 299.305 3.476 20 0 CGADHM CCN(C(=O)c1cc(-c2ccco2)n[n-]1)c1ccc(F)cc1 ZINC000032332610 344931326 /nfs/dbraw/zinc/93/13/26/344931326.db2.gz HOUKTHMZWVIXIP-UHFFFAOYSA-N -1 3 299.305 3.476 20 0 CGADHM COc1ccc(C(=O)NCC(C)(C)c2ccccc2)c([O-])c1 ZINC000029923118 344920540 /nfs/dbraw/zinc/92/05/40/344920540.db2.gz QASYFWNLOCGEBY-UHFFFAOYSA-N -1 3 299.370 3.108 20 0 CGADHM CC(=O)c1ccc(-c2ccc(C(=O)[N-]c3cnoc3)o2)cc1 ZINC000623941750 349922378 /nfs/dbraw/zinc/92/23/78/349922378.db2.gz FIRJDJSHHVNOJD-UHFFFAOYSA-N -1 3 296.282 3.390 20 0 CGADHM Cc1nc(-c2ccccc2)sc1C(=O)[N-]c1cnoc1 ZINC000623942115 349922848 /nfs/dbraw/zinc/92/28/48/349922848.db2.gz VMZUCTYXSKCNSM-UHFFFAOYSA-N -1 3 285.328 3.359 20 0 CGADHM CC[C@@H]1C[C@H](CC(=O)Nc2ccc(C)cc2[O-])CCO1 ZINC000273245829 192086645 /nfs/dbraw/zinc/08/66/45/192086645.db2.gz UILCISAGGFIWNS-CHWSQXEVSA-N -1 3 277.364 3.234 20 0 CGADHM Cc1noc(C)c1[N-]C(=O)c1cc(F)c(F)cc1Cl ZINC000063447540 345247064 /nfs/dbraw/zinc/24/70/64/345247064.db2.gz ILJKGTOHAQQTSG-UHFFFAOYSA-N -1 3 286.665 3.475 20 0 CGADHM CC(C)[C@H](C)N(C(=O)c1cc(=O)c2ccccc2[n-]1)C1CC1 ZINC000058262742 345193926 /nfs/dbraw/zinc/19/39/26/345193926.db2.gz HJMAHSJQTRILLG-LBPRGKRZSA-N -1 3 298.386 3.177 20 0 CGADHM COc1cc(C)sc1C(=O)[N-]c1nnc(C2CC2)s1 ZINC000072644437 345414943 /nfs/dbraw/zinc/41/49/43/345414943.db2.gz QOTMJVRUAIJEJU-UHFFFAOYSA-N -1 3 295.389 3.046 20 0 CGADHM COc1ccc([C@@H]2CCCN2Cc2nc(C)ccc2[O-])cc1 ZINC000155157796 232223032 /nfs/dbraw/zinc/22/30/32/232223032.db2.gz XTEHVVZGONNNNM-KRWDZBQOSA-N -1 3 298.386 3.441 20 0 CGADHM O=C(CC[C@@H]1CCCCO1)Nc1ccc([O-])cc1Cl ZINC000085204994 345744817 /nfs/dbraw/zinc/74/48/17/345744817.db2.gz YHCRROAHZMMKJI-NSHDSACASA-N -1 3 283.755 3.333 20 0 CGADHM C[C@@H]1C[C@H]1c1ccc(CN2CCC[C@H](CC(=O)[O-])C2)o1 ZINC000086757063 345750490 /nfs/dbraw/zinc/75/04/90/345750490.db2.gz AKTZPCOCLHGNFG-YRGRVCCFSA-N -1 3 277.364 3.090 20 0 CGADHM C[C@H](CCC[C@H](C)C(=O)[O-])NCc1cccc(F)c1F ZINC000087677899 345756893 /nfs/dbraw/zinc/75/68/93/345756893.db2.gz YNFHVMICTLIJEZ-WDEREUQCSA-N -1 3 285.334 3.334 20 0 CGADHM CCc1cccc(C(=O)N(C)Cc2ccccc2OC)c1[O-] ZINC000081707549 345718091 /nfs/dbraw/zinc/71/80/91/345718091.db2.gz POIOUFSCIBBTOK-UHFFFAOYSA-N -1 3 299.370 3.235 20 0 CGADHM C[C@@H]([N-]c1nc(-c2cccc(Cl)c2)no1)[C@@H]1CCCO1 ZINC000091427450 345813373 /nfs/dbraw/zinc/81/33/73/345813373.db2.gz LOMJWTMJLPZSSR-SKDRFNHKSA-N -1 3 293.754 3.369 20 0 CGADHM CC(C)c1cc(C(=O)N(C)C[C@@H](C)O)c([O-])c(C(C)C)c1 ZINC000092224987 345832787 /nfs/dbraw/zinc/83/27/87/345832787.db2.gz JSCJWRJEAQCKDP-GFCCVEGCSA-N -1 3 293.407 3.092 20 0 CGADHM COc1cccc(CN(C)Cc2ccc(C(=O)[O-])s2)c1 ZINC000109601727 345943170 /nfs/dbraw/zinc/94/31/70/345943170.db2.gz RBTSRXYCAVOHHH-UHFFFAOYSA-N -1 3 291.372 3.087 20 0 CGADHM CSc1ccccc1[N-]C(=O)c1nc(C)ncc1Cl ZINC000151765158 346139208 /nfs/dbraw/zinc/13/92/08/346139208.db2.gz YDTXPHCLCDIWRA-UHFFFAOYSA-N -1 3 293.779 3.413 20 0 CGADHM C[C@@H]1CCC[C@H](C)CN1C(=O)c1c[n-]c2ccccc2c1=O ZINC000176612092 346249946 /nfs/dbraw/zinc/24/99/46/346249946.db2.gz ZHEYMGTXSVOTJQ-QWHCGFSZSA-N -1 3 298.386 3.179 20 0 CGADHM C[C@H](c1ccc(C(=O)[O-])o1)N1CC[C@@H](C)[C@@H](C)C1 ZINC000221720413 346298497 /nfs/dbraw/zinc/29/84/97/346298497.db2.gz KEUSYELHIGBYFH-OUAUKWLOSA-N -1 3 251.326 3.017 20 0 CGADHM C[C@@H]1CCCN(Cc2ccc(C(=O)[O-])c(F)c2)CC1 ZINC000235317690 346334960 /nfs/dbraw/zinc/33/49/60/346334960.db2.gz ZVOZCGMWRGZAMQ-LLVKDONJSA-N -1 3 265.328 3.146 20 0 CGADHM C[C@@H]1C[C@H](C)CN(Cc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000235677992 346336806 /nfs/dbraw/zinc/33/68/06/346336806.db2.gz RQHKJFKLZWNSHL-PHIMTYICSA-N -1 3 265.328 3.002 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N2C[C@@H](c3ccccc3)C[C@@H]2C)n1 ZINC000248736368 346378255 /nfs/dbraw/zinc/37/82/55/346378255.db2.gz KZVJOWGEQRBSBZ-DZKIICNBSA-N -1 3 297.402 3.430 20 0 CGADHM CC[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(C)ccc2F)C1 ZINC000303761937 346446442 /nfs/dbraw/zinc/44/64/42/346446442.db2.gz ADLHLJNNGBIQMR-OLZOCXBDSA-N -1 3 299.411 3.381 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](C)[C@H]2C)c(F)c1 ZINC000303167461 346442855 /nfs/dbraw/zinc/44/28/55/346442855.db2.gz AUVZQDXAGWHKNR-YRGRVCCFSA-N -1 3 299.411 3.237 20 0 CGADHM Cc1cc(F)ccc1CN1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000388214792 346569269 /nfs/dbraw/zinc/56/92/69/346569269.db2.gz QJDYHCCLCSSFDJ-QGZVFWFLSA-N -1 3 299.345 3.146 20 0 CGADHM CC[C@@H]1CN([C@H](C(=O)[O-])c2cccc(Cl)c2)CCS1 ZINC000584725616 346710388 /nfs/dbraw/zinc/71/03/88/346710388.db2.gz RYUKGWKCXJFNFK-OLZOCXBDSA-N -1 3 299.823 3.293 20 0 CGADHM CSC[C@H]1CCCN1Cc1ccc(C(=O)[O-])c(Cl)c1 ZINC000593741297 347110534 /nfs/dbraw/zinc/11/05/34/347110534.db2.gz NYNUXVOQHAEQFO-LLVKDONJSA-N -1 3 299.823 3.366 20 0 CGADHM CCc1cc(=O)[n-]c(CSC[C@@H]2C[C@H]3C[C@H]3C2)n1 ZINC000596343755 347425872 /nfs/dbraw/zinc/42/58/72/347425872.db2.gz CKVDRNVSHSUWLL-JGPRNRPPSA-N -1 3 264.394 3.024 20 0 CGADHM Cc1cc(Oc2ccccc2)ccc1NC(=O)c1cnn[n-]1 ZINC000597011140 347527029 /nfs/dbraw/zinc/52/70/29/347527029.db2.gz NKGTXGVQGLCMJI-UHFFFAOYSA-N -1 3 294.314 3.158 20 0 CGADHM Cc1cc(Oc2ccccc2)ccc1NC(=O)c1c[n-]nn1 ZINC000597011140 347527035 /nfs/dbraw/zinc/52/70/35/347527035.db2.gz NKGTXGVQGLCMJI-UHFFFAOYSA-N -1 3 294.314 3.158 20 0 CGADHM Cc1cc(Oc2ccccc2)ccc1NC(=O)c1cn[n-]n1 ZINC000597011140 347527039 /nfs/dbraw/zinc/52/70/39/347527039.db2.gz NKGTXGVQGLCMJI-UHFFFAOYSA-N -1 3 294.314 3.158 20 0 CGADHM CSC[C@H]1CCCN1C(=O)c1cc(SC)ccc1[O-] ZINC000597405185 347573624 /nfs/dbraw/zinc/57/36/24/347573624.db2.gz WFCHTVFJEVEUGH-SNVBAGLBSA-N -1 3 297.445 3.082 20 0 CGADHM COC(=O)c1cc([O-])cc(-c2ncc(C(C)C)s2)c1 ZINC000600790445 347837003 /nfs/dbraw/zinc/83/70/03/347837003.db2.gz RJXIQZAAAPYTJP-UHFFFAOYSA-N -1 3 277.345 3.426 20 0 CGADHM C[C@@H](CO)CSCc1cc([O-])cc(C(F)(F)F)c1 ZINC000603320630 348071273 /nfs/dbraw/zinc/07/12/73/348071273.db2.gz ODWLARONDGHSGW-QMMMGPOBSA-N -1 3 280.311 3.273 20 0 CGADHM Cc1ccc2[nH]c(C(=O)NCc3ccc([O-])c(F)c3)cc2c1 ZINC000606537438 348189769 /nfs/dbraw/zinc/18/97/69/348189769.db2.gz UYORNCADMPXHPA-UHFFFAOYSA-N -1 3 298.317 3.251 20 0 CGADHM CC(C)(C)CCCNC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000606875625 348203912 /nfs/dbraw/zinc/20/39/12/348203912.db2.gz VIQSEVKKUJAJMB-UHFFFAOYSA-N -1 3 286.375 3.084 20 0 CGADHM Cc1cc2cc(C(=O)[N-]c3cnoc3)oc2cc1C ZINC000608122231 348287678 /nfs/dbraw/zinc/28/76/78/348287678.db2.gz CDGKNWRQJFANRD-UHFFFAOYSA-N -1 3 256.261 3.290 20 0 CGADHM Cc1cnc(CNC(=O)c2ccc(C(C)C)cc2[O-])s1 ZINC000608471748 348311074 /nfs/dbraw/zinc/31/10/74/348311074.db2.gz MNRREZPAFQMLJT-UHFFFAOYSA-N -1 3 290.388 3.211 20 0 CGADHM Cc1cccc(C(=O)N2CC[C@H]2c2cccc(F)c2)c1[O-] ZINC000608478464 348311665 /nfs/dbraw/zinc/31/16/65/348311665.db2.gz FWIKHNOJPWQHIG-HNNXBMFYSA-N -1 3 285.318 3.427 20 0 CGADHM CC(C)Oc1ccccc1C[S@](=O)c1cccc([O-])c1 ZINC000273371513 192128925 /nfs/dbraw/zinc/12/89/25/192128925.db2.gz FGDJWMXWGRPIGK-FQEVSTJZSA-N -1 3 290.384 3.487 20 0 CGADHM C[C@@H]1CCCN(C(=O)Cc2cncc([O-])c2)c2ccccc21 ZINC000613487791 348610223 /nfs/dbraw/zinc/61/02/23/348610223.db2.gz LBJRCEPKFOINRM-CYBMUJFWSA-N -1 3 296.370 3.260 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)[C@H]2C[C@H]3C[C@H]3C2)c1[O-] ZINC000613036482 348561406 /nfs/dbraw/zinc/56/14/06/348561406.db2.gz TZTLTIFFZLRXFC-MYJAWHEDSA-N -1 3 265.740 3.339 20 0 CGADHM C[C@H](Cc1ccco1)C(=O)N1CCCc2cccc([O-])c21 ZINC000613161206 348570037 /nfs/dbraw/zinc/57/00/37/348570037.db2.gz VMEQZNWDTNFIKQ-GFCCVEGCSA-N -1 3 285.343 3.143 20 0 CGADHM CC(C)c1ccc(-c2nc(C3CCOCC3)no2)c([O-])c1 ZINC000273463107 192161242 /nfs/dbraw/zinc/16/12/42/192161242.db2.gz ONQOGYWSFLKUGP-UHFFFAOYSA-N -1 3 288.347 3.460 20 0 CGADHM CSc1ccc([O-])c(C(=O)N2CC(C)=C[C@H](C)C2)c1 ZINC000614359736 348669746 /nfs/dbraw/zinc/66/97/46/348669746.db2.gz CNNHVUFINCSKSU-JTQLQIEISA-N -1 3 277.389 3.152 20 0 CGADHM O=C(N=c1cc2ccccn2[n-]1)C1CC2(C1)CCCCC2 ZINC000614710863 348690466 /nfs/dbraw/zinc/69/04/66/348690466.db2.gz USKAGDUQJSOPFJ-UHFFFAOYSA-N -1 3 283.375 3.055 20 0 CGADHM CC[C@@H]1CCC[C@H]1C(=O)NCc1ccc([O-])c2ncccc12 ZINC000616022444 348782453 /nfs/dbraw/zinc/78/24/53/348782453.db2.gz GPKLDBJCLXXLHO-IUODEOHRSA-N -1 3 298.386 3.383 20 0 CGADHM O=[S@](CCC1CCCCC1)c1ccc([O-])cc1 ZINC000616193234 348796534 /nfs/dbraw/zinc/79/65/34/348796534.db2.gz AVPJPRBLOYMZGN-QGZVFWFLSA-N -1 3 252.379 3.470 20 0 CGADHM Cc1cc(C(=O)N(C)Cc2c(F)cccc2F)ccc1[O-] ZINC000358269741 233095093 /nfs/dbraw/zinc/09/50/93/233095093.db2.gz ONPLPNFMCORJAJ-UHFFFAOYSA-N -1 3 291.297 3.251 20 0 CGADHM CO[C@@H]1CCC[C@H](C(=O)Nc2ccc([O-])cc2Cl)C1 ZINC000616939631 348884823 /nfs/dbraw/zinc/88/48/23/348884823.db2.gz IPIWCBANEXPKPU-GXSJLCMTSA-N -1 3 283.755 3.189 20 0 CGADHM Cc1n[nH]c(C)c1[C@@H](C)C(=O)Nc1ccc([O-])cc1Cl ZINC000616942073 348885768 /nfs/dbraw/zinc/88/57/68/348885768.db2.gz PJIBCMRFQLONHZ-SSDOTTSWSA-N -1 3 293.754 3.128 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)c2cccc(Cl)c2)o1 ZINC000358465589 233137347 /nfs/dbraw/zinc/13/73/47/233137347.db2.gz TYQRPUBJWUBVSA-JTQLQIEISA-N -1 3 299.779 3.281 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CCC(C3CCC3)CC2)c1 ZINC000617774145 349006493 /nfs/dbraw/zinc/00/64/93/349006493.db2.gz QDVYTVRXVHTWHK-UHFFFAOYSA-N -1 3 273.376 3.353 20 0 CGADHM COc1cccc(C=Cc2cc(=O)[n-]c(C3CC3)n2)c1OC ZINC000352022127 219292419 /nfs/dbraw/zinc/29/24/19/219292419.db2.gz VJLATDHGSOXZEH-HJWRWDBZSA-N -1 3 298.342 3.247 20 0 CGADHM O=[S@@](c1ccc([O-])cc1)[C@@H]1CCc2ccccc21 ZINC000618630987 349130725 /nfs/dbraw/zinc/13/07/25/349130725.db2.gz CPOGYQMMSLYTDC-QAPCUYQASA-N -1 3 258.342 3.187 20 0 CGADHM COc1cc(C=Cc2cc(=O)[n-]c(C3CC3)n2)cc(OC)c1 ZINC000352021480 219291752 /nfs/dbraw/zinc/29/17/52/219291752.db2.gz PPZSWNDCDSKZLY-ZZXKWVIFSA-N -1 3 298.342 3.247 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2cn(C)nc2C2CCCCC2)n1 ZINC000352038965 219298609 /nfs/dbraw/zinc/29/86/09/219298609.db2.gz BEMPTQYXTVMREU-HJWRWDBZSA-N -1 3 298.390 3.442 20 0 CGADHM COc1cc(C(=O)N[C@H](C)C2CCC(F)CC2)ccc1[O-] ZINC000619957531 349297600 /nfs/dbraw/zinc/29/76/00/349297600.db2.gz UMUXMDXIVFDQMH-XSRFYTQQSA-N -1 3 295.354 3.047 20 0 CGADHM CSc1ccc([O-])c(C(=O)NCCCc2ccco2)c1 ZINC000620367061 349361642 /nfs/dbraw/zinc/36/16/42/349361642.db2.gz SRIOYEKUQDXHAB-UHFFFAOYSA-N -1 3 291.372 3.070 20 0 CGADHM CC[C@@H]1CCC[C@H](C)N1C(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000620576830 349388400 /nfs/dbraw/zinc/38/84/00/349388400.db2.gz ASVSEISNSCWFEO-SMDDNHRTSA-N -1 3 289.375 3.388 20 0 CGADHM Cc1cc(C(F)F)oc1C(=O)[N-]c1c(C)noc1C ZINC000624739379 350094370 /nfs/dbraw/zinc/09/43/70/350094370.db2.gz RPRNEHLALYYLHC-UHFFFAOYSA-N -1 3 270.235 3.383 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CCC[C@@H]1CC(C)C ZINC000624963895 350117631 /nfs/dbraw/zinc/11/76/31/350117631.db2.gz MRAZVFPTJLRBCE-CYBMUJFWSA-N -1 3 261.365 3.351 20 0 CGADHM [O-]c1ccc(Cl)c(CN(CCO)Cc2ccccc2)c1 ZINC000625141161 350132933 /nfs/dbraw/zinc/13/29/33/350132933.db2.gz WOKKMJUJTNDJDD-UHFFFAOYSA-N -1 3 291.778 3.040 20 0 CGADHM CCN(Cc1ccncc1)Cc1cc([O-])ccc1Cl ZINC000625282235 350152798 /nfs/dbraw/zinc/15/27/98/350152798.db2.gz YSLVEVAJRUZNQX-UHFFFAOYSA-N -1 3 276.767 3.463 20 0 CGADHM CN(Cc1cc([O-])ccc1Cl)C[C@H]1CCCC[C@@H]1O ZINC000625315795 350157066 /nfs/dbraw/zinc/15/70/66/350157066.db2.gz WPRVWFNHVTVADX-ABAIWWIYSA-N -1 3 283.799 3.029 20 0 CGADHM COC[C@@H](NCc1cc([O-])ccc1Cl)c1ccco1 ZINC000625319888 350157949 /nfs/dbraw/zinc/15/79/49/350157949.db2.gz RBOVYVFYNVOBLC-CYBMUJFWSA-N -1 3 281.739 3.116 20 0 CGADHM CN(Cc1cc([O-])ccc1Cl)[C@@H](CO)CC(C)(C)C ZINC000625461912 350175595 /nfs/dbraw/zinc/17/55/95/350175595.db2.gz SSPKWTVOVUUVND-GFCCVEGCSA-N -1 3 285.815 3.275 20 0 CGADHM CCC[C@H]1SCCN1C(=O)c1c(C)cccc1[O-] ZINC000625655850 350193511 /nfs/dbraw/zinc/19/35/11/350193511.db2.gz JCZMKHACARMFIL-GFCCVEGCSA-N -1 3 265.378 3.016 20 0 CGADHM C[C@@H]1CN(C/C=C/c2ccc(F)c(F)c2)CC[C@@H]1C(=O)[O-] ZINC000625970571 350237777 /nfs/dbraw/zinc/23/77/77/350237777.db2.gz URXJJDSYKGJCFD-KTTDLOKESA-N -1 3 295.329 3.021 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CCC(C)(C2CC2)CC1 ZINC000627392849 350359527 /nfs/dbraw/zinc/35/95/27/350359527.db2.gz HOUISKSNVVUZCB-UHFFFAOYSA-N -1 3 273.376 3.353 20 0 CGADHM [O-]c1ccc(F)c(CNCCc2c(F)cccc2F)c1F ZINC000352159577 219341766 /nfs/dbraw/zinc/34/17/66/219341766.db2.gz ZEDPZBJOQYBFAQ-UHFFFAOYSA-N -1 3 299.267 3.281 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CCSC[C@@H]1C1CCC1 ZINC000627778192 350382043 /nfs/dbraw/zinc/38/20/43/350382043.db2.gz ILIYLTHOGZRKEP-CYBMUJFWSA-N -1 3 291.416 3.058 20 0 CGADHM CC1(C)C[C@@]1(C)NC(=O)c1cc([O-])cc(Br)c1 ZINC000628137857 350407837 /nfs/dbraw/zinc/40/78/37/350407837.db2.gz UIKPNNFRAPUDME-CYBMUJFWSA-N -1 3 298.180 3.073 20 0 CGADHM Cc1cc(=O)[n-]c(C(C)(C)NC[C@H]2C[C@H]2c2ccccc2)n1 ZINC000628374965 350519795 /nfs/dbraw/zinc/51/97/95/350519795.db2.gz PUNBNMJOOSRQNV-CABCVRRESA-N -1 3 297.402 3.119 20 0 CGADHM Cc1cccc(C(=O)N2C[C@H](C)C(F)(F)[C@@H](C)C2)c1[O-] ZINC000628387353 350522121 /nfs/dbraw/zinc/52/21/21/350522121.db2.gz QPGDJZYLHCGIBO-QWRGUYRKSA-N -1 3 283.318 3.064 20 0 CGADHM Cc1cccc(C(=O)N2C[C@@H](C)C(F)(F)[C@H](C)C2)c1[O-] ZINC000628387351 350522420 /nfs/dbraw/zinc/52/24/20/350522420.db2.gz QPGDJZYLHCGIBO-GHMZBOCLSA-N -1 3 283.318 3.064 20 0 CGADHM Cc1ccc(C(=O)N2C[C@H](C)C(F)(F)[C@@H](C)C2)c([O-])c1C ZINC000628396376 350525915 /nfs/dbraw/zinc/52/59/15/350525915.db2.gz HNAZIFXSEBWYJC-QWRGUYRKSA-N -1 3 297.345 3.372 20 0 CGADHM CCC(O)(CC)CN(C)Cc1cccc([O-])c1Cl ZINC000628480053 350549962 /nfs/dbraw/zinc/54/99/62/350549962.db2.gz YRSFKSWFKPKRBK-UHFFFAOYSA-N -1 3 271.788 3.029 20 0 CGADHM O=C(c1cc([O-])ccc1Cl)N1CCCC(F)(F)CC1 ZINC000628632758 350580107 /nfs/dbraw/zinc/58/01/07/350580107.db2.gz DRVFICYRUYOIAT-UHFFFAOYSA-N -1 3 289.709 3.307 20 0 CGADHM CCCCN(C(=O)c1csc(=O)[n-]1)C1CCCCC1 ZINC000341647439 282716620 /nfs/dbraw/zinc/71/66/20/282716620.db2.gz VHCXELGEJQENAH-UHFFFAOYSA-N -1 3 282.409 3.424 20 0 CGADHM C[C@@H]1CN(Cc2csc(C(=O)[O-])c2)C[C@H](C)C1(F)F ZINC000629363416 350678436 /nfs/dbraw/zinc/67/84/36/350678436.db2.gz DBUNMVUUVURBNG-DTORHVGOSA-N -1 3 289.347 3.169 20 0 CGADHM CC(C)c1cnc(S(=O)(=O)Cc2ccc(Cl)cc2)[n-]1 ZINC000630433802 350839256 /nfs/dbraw/zinc/83/92/56/350839256.db2.gz YACUXIDFKQXCEF-UHFFFAOYSA-N -1 3 298.795 3.160 20 0 CGADHM CC(C)c1c[n-]c(S(=O)(=O)Cc2ccc(Cl)cc2)n1 ZINC000630433802 350839257 /nfs/dbraw/zinc/83/92/57/350839257.db2.gz YACUXIDFKQXCEF-UHFFFAOYSA-N -1 3 298.795 3.160 20 0 CGADHM COc1ccc(CN[C@H]2CC[C@H](C(=O)[O-])CC2)c(Cl)c1 ZINC000630475289 350846236 /nfs/dbraw/zinc/84/62/36/350846236.db2.gz FPUNTBMSQOOKRV-UMSPYCQHSA-N -1 3 297.782 3.082 20 0 CGADHM [O-]c1cccc(CN[C@H](C2CCC2)[C@@H]2CCCO2)c1Cl ZINC000631256979 351008993 /nfs/dbraw/zinc/00/89/93/351008993.db2.gz YMQNSNDCUOKZDR-GOEBONIOSA-N -1 3 295.810 3.483 20 0 CGADHM CCn1ncc(C(=O)N2CC[C@H](C)c3cccc([O-])c32)c1C ZINC000632507070 351202194 /nfs/dbraw/zinc/20/21/94/351202194.db2.gz QCOCTBRRZJPIQQ-NSHDSACASA-N -1 3 299.374 3.071 20 0 CGADHM CC1(C)CN(C(=O)c2cccc([O-])c2)[C@H]1c1ccco1 ZINC000633789988 351373729 /nfs/dbraw/zinc/37/37/29/351373729.db2.gz SYPNLEQYTAPRJT-AWEZNQCLSA-N -1 3 271.316 3.209 20 0 CGADHM CC(=O)c1cccc(NC(=O)c2cc(F)ccc2F)c1[O-] ZINC000336512421 213390724 /nfs/dbraw/zinc/39/07/24/213390724.db2.gz GJBPOTWOEPJSPZ-UHFFFAOYSA-N -1 3 291.253 3.125 20 0 CGADHM C[C@@H]1CCc2[n-]n([C@@H]3CCc4c3cccc4F)c(=O)c21 ZINC000634632289 351554513 /nfs/dbraw/zinc/55/45/13/351554513.db2.gz NUZXWRRMFIELHQ-ZWZTZDBGSA-N -1 3 272.323 3.057 20 0 CGADHM CC[C@@H](C(=O)[O-])N(C)Cc1cc(Cl)cc(Cl)c1F ZINC000635019018 351632711 /nfs/dbraw/zinc/63/27/11/351632711.db2.gz SDXNZQNXZWPDTC-JTQLQIEISA-N -1 3 294.153 3.428 20 0 CGADHM Cc1ccc([O-])c(CNCc2ccc(C3CC3)cc2F)n1 ZINC000291750895 198079878 /nfs/dbraw/zinc/07/98/78/198079878.db2.gz QDCBFMHGKDRMEG-UHFFFAOYSA-N -1 3 286.350 3.402 20 0 CGADHM COc1cc(F)c([N-]C(=O)c2cc(C(C)C)on2)cc1F ZINC000124059796 187120727 /nfs/dbraw/zinc/12/07/27/187120727.db2.gz JBAYOZKDZHCWBE-UHFFFAOYSA-N -1 3 296.273 3.337 20 0 CGADHM CC[C@@H]1CC[C@H](C)N1C(=O)NCc1ccc([O-])c(F)c1 ZINC000271589013 191228898 /nfs/dbraw/zinc/22/88/98/191228898.db2.gz SSNXFQYPIGLEMX-CMPLNLGQSA-N -1 3 280.343 3.004 20 0 CGADHM [O-]c1cc(F)cc(CN2CCC[C@H]2c2cccnc2)c1 ZINC000336448052 213313702 /nfs/dbraw/zinc/31/37/02/213313702.db2.gz SCWHPVUSJRKWFH-INIZCTEOSA-N -1 3 272.323 3.263 20 0 CGADHM Cc1cccc(C(=O)N(C)Cc2cccc(N(C)C)c2)c1[O-] ZINC000156263786 188252583 /nfs/dbraw/zinc/25/25/83/188252583.db2.gz CYKHTGIKTUPUSN-UHFFFAOYSA-N -1 3 298.386 3.039 20 0 CGADHM O=c1nc([C@H]2CCOC2)[n-]c2scc(-c3ccccc3)c21 ZINC000157424094 188316634 /nfs/dbraw/zinc/31/66/34/188316634.db2.gz GBSJDYQTPFMYIP-NSHDSACASA-N -1 3 298.367 3.156 20 0 CGADHM CC(C)CC[C@@H]1CCCN1C(=O)c1ccc(O)cc1[O-] ZINC000158306574 188369210 /nfs/dbraw/zinc/36/92/10/188369210.db2.gz ZEERUYCQBMPUBG-LBPRGKRZSA-N -1 3 277.364 3.139 20 0 CGADHM CCCOc1cccc(CC(=O)[N-]OC2CCCC2)c1 ZINC000271742856 191301353 /nfs/dbraw/zinc/30/13/53/191301353.db2.gz IZMOJKUADWEBFY-UHFFFAOYSA-N -1 3 277.364 3.008 20 0 CGADHM CC[C@H]1CC[C@@H](C)N1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000271759200 191310126 /nfs/dbraw/zinc/31/01/26/191310126.db2.gz GMHDRERBBPUJDF-NEPJUHHUSA-N -1 3 284.359 3.344 20 0 CGADHM CC(=O)c1cc(F)c([N-]C(=O)c2ccoc2C)c(F)c1F ZINC000336375413 213228621 /nfs/dbraw/zinc/22/86/21/213228621.db2.gz BVXQETLBLWGGKT-UHFFFAOYSA-N -1 3 297.232 3.460 20 0 CGADHM CCn1cc(CC(=O)[N-]OC2CCCC2)c2ccccc21 ZINC000271771784 191316769 /nfs/dbraw/zinc/31/67/69/191316769.db2.gz GCFJXIAMRNUTEL-UHFFFAOYSA-N -1 3 286.375 3.194 20 0 CGADHM O=c1cc(CSCc2ccco2)nc(C2CC2)[n-]1 ZINC000412975278 235233773 /nfs/dbraw/zinc/23/37/73/235233773.db2.gz FTTGURYUPPFQKJ-UHFFFAOYSA-N -1 3 262.334 3.086 20 0 CGADHM COc1cc(C(=O)N[C@H]2CCC[C@@H]2C(C)(C)C)ccc1[O-] ZINC000413996666 235322392 /nfs/dbraw/zinc/32/23/92/235322392.db2.gz VEMAGIRRGMITOJ-STQMWFEESA-N -1 3 291.391 3.345 20 0 CGADHM O=C([O-])CCCCN1CCSC[C@H]1c1ccccc1 ZINC000181543283 304047866 /nfs/dbraw/zinc/04/78/66/304047866.db2.gz ULFVBFCUFCMMAQ-AWEZNQCLSA-N -1 3 279.405 3.031 20 0 CGADHM O=[S@](CCC1=CCCCC1)c1ccc([O-])cc1 ZINC000414242796 235372608 /nfs/dbraw/zinc/37/26/08/235372608.db2.gz QKAPGXKGRIVTCQ-QGZVFWFLSA-N -1 3 250.363 3.390 20 0 CGADHM COc1ccc([O-])c(C(=O)N2CC3(CCC3)[C@@H]2C(C)C)c1 ZINC000293567953 198686954 /nfs/dbraw/zinc/68/69/54/198686954.db2.gz DWGMITKMKRPYCE-HNNXBMFYSA-N -1 3 289.375 3.052 20 0 CGADHM O=C(CCCc1c[nH]c2ccccc12)Nc1ccncc1[O-] ZINC000109889580 138362226 /nfs/dbraw/zinc/36/22/26/138362226.db2.gz YPIVQSVGBRWCJO-UHFFFAOYSA-N -1 3 295.342 3.230 20 0 CGADHM Cn1cc(C(=O)Nc2ccc([O-])cc2F)c2ccccc21 ZINC000129096867 138396148 /nfs/dbraw/zinc/39/61/48/138396148.db2.gz BCSZYJGDFCNARE-UHFFFAOYSA-N -1 3 284.290 3.275 20 0 CGADHM COc1cccc(Cl)c1CN[C@@H](C)[C@@H](C(=O)[O-])C(C)C ZINC000424617946 236172950 /nfs/dbraw/zinc/17/29/50/236172950.db2.gz JDCMCVURRKSKAI-HZMBPMFUSA-N -1 3 299.798 3.184 20 0 CGADHM Cc1cc(F)c(CNC[C@@H](CC(C)C)C(=O)[O-])c(F)c1 ZINC000424628372 236173635 /nfs/dbraw/zinc/17/36/35/236173635.db2.gz WQXNPDQSUJIDTF-LLVKDONJSA-N -1 3 285.334 3.110 20 0 CGADHM Cc1ccoc1CNCC[C@H](Cc1ccccc1)C(=O)[O-] ZINC000426630466 236303325 /nfs/dbraw/zinc/30/33/25/236303325.db2.gz UWKFTNUZMXHVPE-OAHLLOKOSA-N -1 3 287.359 3.011 20 0 CGADHM Cc1ccc(F)c(CNCCCC(C)(C)C(=O)[O-])c1 ZINC000426644438 236304591 /nfs/dbraw/zinc/30/45/91/236304591.db2.gz WJHLXAUZMJAKRT-UHFFFAOYSA-N -1 3 267.344 3.115 20 0 CGADHM O=C([O-])c1ccc(CNCc2cc3c(cccc3F)[nH]2)cc1 ZINC000426682883 236306071 /nfs/dbraw/zinc/30/60/71/236306071.db2.gz MOLOGZRKDMWDOQ-UHFFFAOYSA-N -1 3 298.317 3.295 20 0 CGADHM O=C([O-])c1ccc(CNCc2cc3ccc(F)cc3[nH]2)cc1 ZINC000426688135 236306134 /nfs/dbraw/zinc/30/61/34/236306134.db2.gz UQQIQKSYIDKLRD-UHFFFAOYSA-N -1 3 298.317 3.295 20 0 CGADHM Cc1cc(C)cc(CN[C@@H](C(=O)[O-])c2cccc(F)c2)c1 ZINC000426804162 236315673 /nfs/dbraw/zinc/31/56/73/236315673.db2.gz SIDQJUJSRRUWBX-MRXNPFEDSA-N -1 3 287.334 3.358 20 0 CGADHM [O-]c1ccc(F)c(CN2CCC([C@H]3CCCO3)CC2)c1F ZINC000294733546 199157557 /nfs/dbraw/zinc/15/75/57/199157557.db2.gz QGBDKUPSRVSFED-OAHLLOKOSA-N -1 3 297.345 3.061 20 0 CGADHM Cc1ccc([O-])c(CNc2cccc(OC(C)C)c2)n1 ZINC000294941984 199262439 /nfs/dbraw/zinc/26/24/39/199262439.db2.gz GYSXUZRTBNGINJ-UHFFFAOYSA-N -1 3 272.348 3.495 20 0 CGADHM Cc1ccc([O-])c(NC(=O)[C@@H]2[C@@H](C)[C@@H]2c2ccccc2)n1 ZINC000435918833 237006466 /nfs/dbraw/zinc/00/64/66/237006466.db2.gz UBZJCCZJCFHELY-NILFDRSVSA-N -1 3 282.343 3.084 20 0 CGADHM C[C@@H]1C[C@@H](c2noc(/C=C/c3cccc([O-])c3)n2)CCO1 ZINC000435957520 237008846 /nfs/dbraw/zinc/00/88/46/237008846.db2.gz LOKVAPGREMCKHX-QJSMKMSWSA-N -1 3 286.331 3.228 20 0 CGADHM Cc1cc(C)cc([C@@H](C)NC(=O)c2ccc(O)cc2[O-])c1 ZINC000436495027 237115774 /nfs/dbraw/zinc/11/57/74/237115774.db2.gz NDWKIERPTGJLFY-GFCCVEGCSA-N -1 3 285.343 3.206 20 0 CGADHM O=C(NC[C@H]1CCC2(CCCCC2)O1)c1ccccc1[O-] ZINC000436531043 237123233 /nfs/dbraw/zinc/12/32/33/237123233.db2.gz DISZOVDRYFHCQJ-CYBMUJFWSA-N -1 3 289.375 3.004 20 0 CGADHM Cc1ccc(C(=O)N(CC2CC2)CC2CC2)c([O-])c1C ZINC000436544075 237126421 /nfs/dbraw/zinc/12/64/21/237126421.db2.gz BECCEDZPJUBGQG-UHFFFAOYSA-N -1 3 273.376 3.271 20 0 CGADHM Cc1ccc(C(=O)N[C@@H]2CC[C@H]3CCC[C@H]3C2)c([O-])c1 ZINC000436562963 237132503 /nfs/dbraw/zinc/13/25/03/237132503.db2.gz CFADDQJXHMDPHU-HZSPNIEDSA-N -1 3 273.376 3.399 20 0 CGADHM Cc1ccc(C(=O)NCCCC(F)(F)F)c([O-])c1C ZINC000436572327 237133210 /nfs/dbraw/zinc/13/32/10/237133210.db2.gz FFSMWKVYKXCDNA-UHFFFAOYSA-N -1 3 275.270 3.081 20 0 CGADHM O=C(N[C@@H](C1CCCC1)C(F)(F)F)c1ccccc1[O-] ZINC000436585001 237139274 /nfs/dbraw/zinc/13/92/74/237139274.db2.gz KXLUYWHZDXTPDM-LBPRGKRZSA-N -1 3 287.281 3.243 20 0 CGADHM COc1ccc(C(=O)N2CCC(C)(C3CC3)CC2)c([O-])c1 ZINC000436601043 237139958 /nfs/dbraw/zinc/13/99/58/237139958.db2.gz BGJYVTYJROMRMQ-UHFFFAOYSA-N -1 3 289.375 3.053 20 0 CGADHM Cc1ccc(C(=O)N2CCC[C@H](C)[C@@H]2C)c([O-])c1C ZINC000436592583 237141174 /nfs/dbraw/zinc/14/11/74/237141174.db2.gz WQUUNERCZSGVPR-AAEUAGOBSA-N -1 3 261.365 3.270 20 0 CGADHM Cc1cc(C(=O)Nc2ccccc2[O-])nn1-c1ccccc1 ZINC000436800090 237182650 /nfs/dbraw/zinc/18/26/50/237182650.db2.gz SUGJJCWNBYDREI-UHFFFAOYSA-N -1 3 293.326 3.139 20 0 CGADHM Cc1ccc([O-])c(C(=O)N[C@@H](C(C)C)C(F)(F)F)c1 ZINC000436824652 237187940 /nfs/dbraw/zinc/18/79/40/237187940.db2.gz AAJLPAFCBLYAJA-NSHDSACASA-N -1 3 275.270 3.017 20 0 CGADHM O=C(NCC1CC(c2ccccc2)C1)c1c([O-])cccc1O ZINC000436734962 237172314 /nfs/dbraw/zinc/17/23/14/237172314.db2.gz BUQPOSWRGAZWIJ-UHFFFAOYSA-N -1 3 297.354 3.021 20 0 CGADHM CS[C@H](CNC(=O)c1cccc(C)c1[O-])C(C)(C)C ZINC000436838470 237193100 /nfs/dbraw/zinc/19/31/00/237193100.db2.gz RBOKXJZAAOCAHH-GFCCVEGCSA-N -1 3 281.421 3.208 20 0 CGADHM O=C(NC[C@@H](c1ccccc1)C1CC1)c1ccccc1[O-] ZINC000436838790 237194624 /nfs/dbraw/zinc/19/46/24/237194624.db2.gz LKUPUAPTOWHQEA-INIZCTEOSA-N -1 3 281.355 3.316 20 0 CGADHM [O-]c1c(-c2nc(-c3cccnc3)no2)ccc2c1CCCC2 ZINC000436891174 237204540 /nfs/dbraw/zinc/20/45/40/237204540.db2.gz HXMCCJCHZDCSNO-UHFFFAOYSA-N -1 3 293.326 3.383 20 0 CGADHM CC(C)ON=C([O-])Nc1ccc(F)c(Br)c1 ZINC000296979147 200052767 /nfs/dbraw/zinc/05/27/67/200052767.db2.gz RDVXUWQCZQIXNZ-UHFFFAOYSA-N -1 3 291.120 3.050 20 0 CGADHM CC(C)O[N-]C(=O)Nc1ccc(F)c(Br)c1 ZINC000296979147 200052769 /nfs/dbraw/zinc/05/27/69/200052769.db2.gz RDVXUWQCZQIXNZ-UHFFFAOYSA-N -1 3 291.120 3.050 20 0 CGADHM COc1ccc2cc(NC([O-])=NOC(C)C)ccc2c1 ZINC000297199467 200112811 /nfs/dbraw/zinc/11/28/11/200112811.db2.gz XUCHZHIQTYXXJA-UHFFFAOYSA-N -1 3 274.320 3.310 20 0 CGADHM COc1ccc2cc(NC(=O)[N-]OC(C)C)ccc2c1 ZINC000297199467 200112813 /nfs/dbraw/zinc/11/28/13/200112813.db2.gz XUCHZHIQTYXXJA-UHFFFAOYSA-N -1 3 274.320 3.310 20 0 CGADHM CCC[C@@H]([N-]S(=O)(=O)c1ccc(C)o1)C(C)(C)C ZINC000451781247 240357818 /nfs/dbraw/zinc/35/78/18/240357818.db2.gz OUEXDNPMZPFXOS-LLVKDONJSA-N -1 3 273.398 3.081 20 0 CGADHM CCOc1cc(CN2CCC[C@@H]2C)cc(Cl)c1[O-] ZINC000297615664 200243178 /nfs/dbraw/zinc/24/31/78/200243178.db2.gz GXCPQCQZIMZXGS-JTQLQIEISA-N -1 3 269.772 3.429 20 0 CGADHM O=C([C@@H]1CCC(F)(F)C1)N1CCCc2cccc([O-])c21 ZINC000335048499 296005979 /nfs/dbraw/zinc/00/59/79/296005979.db2.gz BZWMRMGQZAGBRA-LLVKDONJSA-N -1 3 281.302 3.107 20 0 CGADHM COc1cccc(C(=O)N([C@H](C)C(C)C)C2CC2)c1[O-] ZINC000298332490 200398033 /nfs/dbraw/zinc/39/80/33/200398033.db2.gz XDNZGHNMURZFQH-LLVKDONJSA-N -1 3 277.364 3.050 20 0 CGADHM CC(C)[C@@H](C(=O)Nc1ncccc1[O-])c1ccc(F)cc1 ZINC000341884199 216137271 /nfs/dbraw/zinc/13/72/71/216137271.db2.gz GFSDINAXQRUYSM-CQSZACIVSA-N -1 3 288.322 3.305 20 0 CGADHM O=C(Nc1ncccc1[O-])[C@H]1C[C@@]12CCCc1ccccc12 ZINC000341887477 216138795 /nfs/dbraw/zinc/13/87/95/216138795.db2.gz LJESXECCFOIZIR-RDTXWAMCSA-N -1 3 294.354 3.020 20 0 CGADHM Cc1ccc2[nH]c(C(=O)Nc3ncccc3[O-])cc2c1C ZINC000341899035 216143818 /nfs/dbraw/zinc/14/38/18/216143818.db2.gz HKLJKHMYKHFVIE-UHFFFAOYSA-N -1 3 281.315 3.138 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCC[C@@H]2c2cccs2)n1 ZINC000177914084 189078957 /nfs/dbraw/zinc/07/89/57/189078957.db2.gz CAJYIYDWZKOKOO-VXGBXAGGSA-N -1 3 289.404 3.450 20 0 CGADHM Cc1cc(F)cc(C(=O)N=c2cc(-c3ccccc3)[n-][nH]2)c1 ZINC000439016126 238222118 /nfs/dbraw/zinc/22/21/18/238222118.db2.gz BULYZOAAQUJKOG-UHFFFAOYSA-N -1 3 295.317 3.198 20 0 CGADHM O=C(CSCC(F)(F)F)Nc1ccc(Cl)cc1[O-] ZINC000342236315 216273757 /nfs/dbraw/zinc/27/37/57/216273757.db2.gz PQECVENTCPAEJI-UHFFFAOYSA-N -1 3 299.701 3.280 20 0 CGADHM O=C(c1cccc([O-])c1)N1CCC[C@@H](Nc2ccccc2)C1 ZINC000182838636 189336950 /nfs/dbraw/zinc/33/69/50/189336950.db2.gz XDNSHOWLTIKXPQ-MRXNPFEDSA-N -1 3 296.370 3.109 20 0 CGADHM CC(C)c1ccc(NC([O-])=NOCc2cccnc2)cc1 ZINC000182871155 189337883 /nfs/dbraw/zinc/33/78/83/189337883.db2.gz QZGYEQYHEHISBB-UHFFFAOYSA-N -1 3 285.347 3.458 20 0 CGADHM CC(C)c1ccc(NC(=O)[N-]OCc2cccnc2)cc1 ZINC000182871155 189337884 /nfs/dbraw/zinc/33/78/84/189337884.db2.gz QZGYEQYHEHISBB-UHFFFAOYSA-N -1 3 285.347 3.458 20 0 CGADHM CCO[N-]C(=O)CCCc1cccc(C(F)(F)F)c1 ZINC000184037007 189374369 /nfs/dbraw/zinc/37/43/69/189374369.db2.gz PAWAAJGPXWUJGC-UHFFFAOYSA-N -1 3 275.270 3.096 20 0 CGADHM CCCC(=O)Nc1ccc(Cl)c(NC(=O)[N-]OCC)c1 ZINC000184111757 189376578 /nfs/dbraw/zinc/37/65/78/189376578.db2.gz ZKMLAQBFXNFHML-UHFFFAOYSA-N -1 3 299.758 3.152 20 0 CGADHM CCC[C@@H]1C[C@H](C(=O)Nc2cc(F)ccc2[O-])CCO1 ZINC000184130191 189377242 /nfs/dbraw/zinc/37/72/42/189377242.db2.gz ZRZQKPQDUGVJGY-ZYHUDNBSSA-N -1 3 281.327 3.065 20 0 CGADHM Cc1cnc([C@H](C)NCc2cc([O-])cc(F)c2)s1 ZINC000184144210 189377615 /nfs/dbraw/zinc/37/76/15/189377615.db2.gz XHXZQDHHQCICQD-VIFPVBQESA-N -1 3 266.341 3.147 20 0 CGADHM [O-]c1cc(F)cc(CN2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000184150458 189377899 /nfs/dbraw/zinc/37/78/99/189377899.db2.gz CRLJBDPSANBYOH-SNVBAGLBSA-N -1 3 277.261 3.306 20 0 CGADHM O=C(Nc1ccccc1[O-])c1nc2ccccc2s1 ZINC000120448143 370768056 /nfs/dbraw/zinc/76/80/56/370768056.db2.gz KXAJTJNUCBGWLR-UHFFFAOYSA-N -1 3 270.313 3.254 20 0 CGADHM CCn1c(=O)[n-]nc1SCC/C=C/c1ccccc1 ZINC000450710441 240044240 /nfs/dbraw/zinc/04/42/40/240044240.db2.gz UDCKOZFZARSJHA-UXBLZVDNSA-N -1 3 275.377 3.199 20 0 CGADHM Cc1csc(S(=O)(=O)[N-][C@H]2CCc3ccccc32)c1 ZINC000451012968 240190319 /nfs/dbraw/zinc/19/03/19/240190319.db2.gz IEDKECATAVLMMV-ZDUSSCGKSA-N -1 3 293.413 3.022 20 0 CGADHM CC(C)(C)c1ccc(NC(=O)c2ccsn2)c([O-])c1 ZINC000451483255 240311990 /nfs/dbraw/zinc/31/19/90/240311990.db2.gz XRSMGLDCBXCHEY-UHFFFAOYSA-N -1 3 276.361 3.399 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N2CCCc3ccccc3CC2)n1 ZINC000451715718 240348251 /nfs/dbraw/zinc/34/82/51/240348251.db2.gz KUFZOHYMHUWPJY-AWEZNQCLSA-N -1 3 297.402 3.043 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2ccc(C)nc2C(C)C)n1 ZINC000451484694 240312513 /nfs/dbraw/zinc/31/25/13/240312513.db2.gz HKDNOHGVVIJXND-UHFFFAOYSA-N -1 3 285.347 3.175 20 0 CGADHM O=C(CSc1ccc(F)c(F)c1)Nc1ccccc1[O-] ZINC000120946225 370816614 /nfs/dbraw/zinc/81/66/14/370816614.db2.gz JLJOYZWIOSNMRR-UHFFFAOYSA-N -1 3 295.310 3.401 20 0 CGADHM C[C@@H]1Cc2ccccc2CN1Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459348151 242083087 /nfs/dbraw/zinc/08/30/87/242083087.db2.gz WKSUGMKSSHIQGL-GFCCVEGCSA-N -1 3 295.386 3.006 20 0 CGADHM CCN(Cc1cc(=O)[n-]c(C2CC2)n1)c1cccc(OC)c1 ZINC000459346627 242083832 /nfs/dbraw/zinc/08/38/32/242083832.db2.gz FGKJQXFTCKKODP-UHFFFAOYSA-N -1 3 299.374 3.095 20 0 CGADHM C[C@@H]1CC[C@H](C)[N@H+]1Cc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000459353729 242085050 /nfs/dbraw/zinc/08/50/50/242085050.db2.gz ABZVVYUNZAWPHK-BETUJISGSA-N -1 3 283.375 3.222 20 0 CGADHM C[C@@H]1CC[C@H](C)N1Cc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000459353729 242085058 /nfs/dbraw/zinc/08/50/58/242085058.db2.gz ABZVVYUNZAWPHK-BETUJISGSA-N -1 3 283.375 3.222 20 0 CGADHM O=c1cc(CN2CC3(CC3)c3ccccc32)nc(C2CC2)[n-]1 ZINC000459385989 242095879 /nfs/dbraw/zinc/09/58/79/242095879.db2.gz XOZVIVVNVBFVPM-UHFFFAOYSA-N -1 3 293.370 3.111 20 0 CGADHM CC[C@@H](c1ccncc1)N(C)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459392192 242097307 /nfs/dbraw/zinc/09/73/07/242097307.db2.gz PNTQHEIVNHEQAO-HNNXBMFYSA-N -1 3 298.390 3.038 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)[C@H]2[C@@H](C)C2(F)F)c1[O-] ZINC000461456024 242307077 /nfs/dbraw/zinc/30/70/77/242307077.db2.gz NAFBZVHMANAOME-HZGVNTEJSA-N -1 3 275.682 3.194 20 0 CGADHM COc1cc(C(=O)NC2CC(c3ccccc3)C2)ccc1[O-] ZINC000275986642 193180521 /nfs/dbraw/zinc/18/05/21/193180521.db2.gz MFJWYFZUKWVSTM-UHFFFAOYSA-N -1 3 297.354 3.077 20 0 CGADHM C[C@H]1CC[C@H](CNC(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000478115057 243068706 /nfs/dbraw/zinc/06/87/06/243068706.db2.gz YWGJMRVIPNGDBL-JSGCOSHPSA-N -1 3 293.382 3.406 20 0 CGADHM CCc1cc(C(=O)NC[C@H]2CCc3ccccc32)ccc1[O-] ZINC000486286973 243358431 /nfs/dbraw/zinc/35/84/31/243358431.db2.gz WGDSLRIRFYMIFL-MRXNPFEDSA-N -1 3 295.382 3.414 20 0 CGADHM C[C@@H](NCc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000004269785 368539999 /nfs/dbraw/zinc/53/99/99/368539999.db2.gz HXYOQYAKPCTBNU-GFCCVEGCSA-N -1 3 255.317 3.236 20 0 CGADHM Cc1cc(S(=O)(=O)[N-]c2ccccc2F)c(C)s1 ZINC000024070018 368827863 /nfs/dbraw/zinc/82/78/63/368827863.db2.gz FQJHECLJKRDOHR-UHFFFAOYSA-N -1 3 285.365 3.305 20 0 CGADHM CC(C)OCCO[N-]C(=O)/C=C\c1ccc(C2CC2)cc1 ZINC000493088558 244096221 /nfs/dbraw/zinc/09/62/21/244096221.db2.gz RSQJMTMHESINGE-YHYXMXQVSA-N -1 3 289.375 3.050 20 0 CGADHM O=C(/C=C/c1ccc2ccccc2n1)[N-]OC/C=C\Cl ZINC000493217991 244119922 /nfs/dbraw/zinc/11/99/22/244119922.db2.gz KIVAKBAJJANYSG-QZKXOSAKSA-N -1 3 288.734 3.048 20 0 CGADHM COc1cc(F)ccc1NC(=O)c1ccc(C)cc1[O-] ZINC000042356444 369215740 /nfs/dbraw/zinc/21/57/40/369215740.db2.gz GGSRLCVAZUIYBN-UHFFFAOYSA-N -1 3 275.279 3.101 20 0 CGADHM Cc1ccc(C(=O)Nc2cccc(-c3cc[nH]n3)c2)c([O-])c1 ZINC000042365184 369217545 /nfs/dbraw/zinc/21/75/45/369217545.db2.gz YWYPHIDCFZGRRV-UHFFFAOYSA-N -1 3 293.326 3.343 20 0 CGADHM Cc1cc(C)cc(CN(C)C(=O)/C=C/c2cncc([O-])c2)c1 ZINC000493625539 244201310 /nfs/dbraw/zinc/20/13/10/244201310.db2.gz VSZBZPFEJYYCNS-SNAWJCMRSA-N -1 3 296.370 3.076 20 0 CGADHM CC[C@H](OC1CCCC1)C(=O)Nc1ccccc1[O-] ZINC000330758685 203197389 /nfs/dbraw/zinc/19/73/89/203197389.db2.gz LQCSGJLAHRIZGN-AWEZNQCLSA-N -1 3 263.337 3.069 20 0 CGADHM CC[C@@H](OC1CCCC1)C(=O)Nc1ccccc1[O-] ZINC000330758686 203197448 /nfs/dbraw/zinc/19/74/48/203197448.db2.gz LQCSGJLAHRIZGN-CQSZACIVSA-N -1 3 263.337 3.069 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-]c2c(C)cccc2F)cc1 ZINC000494365594 244283818 /nfs/dbraw/zinc/28/38/18/244283818.db2.gz IQKIZDOVECJAAA-UHFFFAOYSA-N -1 3 279.336 3.243 20 0 CGADHM CCOc1ccc(CN[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000050507678 369440259 /nfs/dbraw/zinc/44/02/59/369440259.db2.gz BKLYNTFHJYKGBP-INIZCTEOSA-N -1 3 285.343 3.001 20 0 CGADHM CCc1ccc(C(=O)N(C)[C@H](CC)CSC)c([O-])c1 ZINC000276361862 193300112 /nfs/dbraw/zinc/30/01/12/193300112.db2.gz MKWLCUWSXASYAA-GFCCVEGCSA-N -1 3 281.421 3.168 20 0 CGADHM O=C(CCc1ccccc1)N1CCCc2cccc([O-])c21 ZINC000063063855 369638222 /nfs/dbraw/zinc/63/82/22/369638222.db2.gz FXMGLBZEQIJSGH-UHFFFAOYSA-N -1 3 281.355 3.304 20 0 CGADHM CSc1ccc(Cl)cc1[N-]C(=O)c1cnc(C)cn1 ZINC000064492993 369652731 /nfs/dbraw/zinc/65/27/31/369652731.db2.gz VKGKGFWIYHGGFV-UHFFFAOYSA-N -1 3 293.779 3.413 20 0 CGADHM Cc1cc(C(=O)Nc2cc(C(C)(C)C)ccc2[O-])no1 ZINC000073048418 369849340 /nfs/dbraw/zinc/84/93/40/369849340.db2.gz QDCRHYOUMRPVOK-UHFFFAOYSA-N -1 3 274.320 3.238 20 0 CGADHM [O-]c1ccc(CNCc2ccc(F)c(F)c2)cc1F ZINC000083494233 370006294 /nfs/dbraw/zinc/00/62/94/370006294.db2.gz NHPPCPDEMNAGSO-UHFFFAOYSA-N -1 3 267.250 3.099 20 0 CGADHM C[C@@H](CN(C)Cc1cccc(Cl)c1Cl)C(=O)[O-] ZINC000086807239 370021587 /nfs/dbraw/zinc/02/15/87/370021587.db2.gz UEWMVPNVZFSFHI-QMMMGPOBSA-N -1 3 276.163 3.146 20 0 CGADHM Cc1ccc(NC(=O)Cc2ccc(F)c(F)c2)c([O-])c1 ZINC000088239508 370032830 /nfs/dbraw/zinc/03/28/30/370032830.db2.gz WLEOQFYDXQFPQW-UHFFFAOYSA-N -1 3 277.270 3.160 20 0 CGADHM O=C([O-])C1CCC(CNCc2ccc(F)cc2Cl)CC1 ZINC000093431712 370127352 /nfs/dbraw/zinc/12/73/52/370127352.db2.gz CRGJWUQKIXSEFY-UHFFFAOYSA-N -1 3 299.773 3.460 20 0 CGADHM Cc1cccc([C@H]2CCCN2Cc2nc(C)ccc2[O-])n1 ZINC000093445019 370132214 /nfs/dbraw/zinc/13/22/14/370132214.db2.gz QFNAJECTJJUGLF-MRXNPFEDSA-N -1 3 283.375 3.136 20 0 CGADHM CCCC[C@H]1CCC[C@H]1NC(=O)c1cccc([O-])c1 ZINC000509336612 244903709 /nfs/dbraw/zinc/90/37/09/244903709.db2.gz FJUBBNXOVTXQFL-SWLSCSKDSA-N -1 3 261.365 3.481 20 0 CGADHM Cc1cnccc1[N-]S(=O)(=O)c1cccc(Cl)c1C ZINC000112496413 370428916 /nfs/dbraw/zinc/42/89/16/370428916.db2.gz GOCIJUUEHOJZMF-UHFFFAOYSA-N -1 3 296.779 3.153 20 0 CGADHM CCC(CC)N(C(=O)c1cc(OC)ccc1[O-])C1CC1 ZINC000538741582 288586899 /nfs/dbraw/zinc/58/68/99/288586899.db2.gz OQSLFGFFCINSNH-UHFFFAOYSA-N -1 3 277.364 3.194 20 0 CGADHM CCc1[n-][nH]c(=NC(=O)C2(C)CCCCCC2)c1C ZINC000512530145 245040904 /nfs/dbraw/zinc/04/09/04/245040904.db2.gz YGBGWERCVMLIEU-UHFFFAOYSA-N -1 3 263.385 3.001 20 0 CGADHM Cc1nc(CO[N-]C(=O)CCC2CCCCC2)oc1C ZINC000114451922 370501481 /nfs/dbraw/zinc/50/14/81/370501481.db2.gz MFKVZMHQQULEIR-UHFFFAOYSA-N -1 3 280.368 3.200 20 0 CGADHM Clc1cc(-c2nc(C3CCOCC3)no2)[n-]c1Cl ZINC000113750818 370483294 /nfs/dbraw/zinc/48/32/94/370483294.db2.gz NSROMISRYAMQEL-UHFFFAOYSA-N -1 3 288.134 3.266 20 0 CGADHM O=S(=O)(CCC1CC1)[N-]c1ccc(Cl)cc1F ZINC000129938682 371007353 /nfs/dbraw/zinc/00/73/53/371007353.db2.gz BJIRXLACELAMPI-UHFFFAOYSA-N -1 3 277.748 3.021 20 0 CGADHM CCC[C@H]1SCCN1C(=O)c1cccc(C)c1[O-] ZINC000130270384 371021671 /nfs/dbraw/zinc/02/16/71/371021671.db2.gz UYFPEHDVPDTLAY-GFCCVEGCSA-N -1 3 265.378 3.016 20 0 CGADHM CCC(C)(C)[C@H]1CCCN1C(=O)c1cc(OC)ccc1[O-] ZINC000133696247 371273349 /nfs/dbraw/zinc/27/33/49/371273349.db2.gz ZOAOZGNARLVPLB-OAHLLOKOSA-N -1 3 291.391 3.442 20 0 CGADHM CCC(C)(C)[C@H]1CCCN1C(=O)c1ccc(OC)cc1[O-] ZINC000134088916 371301719 /nfs/dbraw/zinc/30/17/19/371301719.db2.gz DSZNGHHVWOFSBB-OAHLLOKOSA-N -1 3 291.391 3.442 20 0 CGADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@@H]1CCCS1 ZINC000134224599 371312882 /nfs/dbraw/zinc/31/28/82/371312882.db2.gz KKPIPUVGLCWHBJ-JTQLQIEISA-N -1 3 291.294 3.245 20 0 CGADHM CC[C@H](C)CN(C)C(=O)Cc1ccc([O-])cc1Cl ZINC000151123029 371572256 /nfs/dbraw/zinc/57/22/56/371572256.db2.gz CQOJNYKLQBOHGT-JTQLQIEISA-N -1 3 269.772 3.093 20 0 CGADHM C[C@]1(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)CC1(F)F ZINC000421793598 371634453 /nfs/dbraw/zinc/63/44/53/371634453.db2.gz XAHRUHWNCGQDDU-SNVBAGLBSA-N -1 3 295.207 3.395 20 0 CGADHM CCON=C([O-])Nc1cc(C(C)C)nn1-c1ccccc1 ZINC000289688645 371794408 /nfs/dbraw/zinc/79/44/08/371794408.db2.gz AZBVVWPRYQMUJF-UHFFFAOYSA-N -1 3 288.351 3.069 20 0 CGADHM CCO[N-]C(=O)Nc1cc(C(C)C)nn1-c1ccccc1 ZINC000289688645 371794416 /nfs/dbraw/zinc/79/44/16/371794416.db2.gz AZBVVWPRYQMUJF-UHFFFAOYSA-N -1 3 288.351 3.069 20 0 CGADHM C[C@H]1CCC[C@@H](CC(=O)Nc2nnc(-c3ccccn3)[n-]2)C1 ZINC000153945485 371803109 /nfs/dbraw/zinc/80/31/09/371803109.db2.gz NUIHFGQSNIEWRD-NWDGAFQWSA-N -1 3 299.378 3.022 20 0 CGADHM C[C@H]1CCC[C@@H](CC(=O)Nc2nc(-c3ccccn3)n[n-]2)C1 ZINC000153945485 371803121 /nfs/dbraw/zinc/80/31/21/371803121.db2.gz NUIHFGQSNIEWRD-NWDGAFQWSA-N -1 3 299.378 3.022 20 0 CGADHM C[C@H]1CCC[C@@H](CC(=O)Nc2n[n-]c(-c3ccccn3)n2)C1 ZINC000153945485 371803131 /nfs/dbraw/zinc/80/31/31/371803131.db2.gz NUIHFGQSNIEWRD-NWDGAFQWSA-N -1 3 299.378 3.022 20 0 CGADHM Cc1cc(C)c(C(=O)NCc2ccc([O-])c(F)c2)c(C)c1 ZINC000154183356 371824178 /nfs/dbraw/zinc/82/41/78/371824178.db2.gz QKUFEHIBFRERFC-UHFFFAOYSA-N -1 3 287.334 3.387 20 0 CGADHM O=C1CCCc2ccc(NC([O-])=NOC/C=C/Cl)cc21 ZINC000289958986 371863185 /nfs/dbraw/zinc/86/31/85/371863185.db2.gz MSIQMYBQCPIYBP-FARCUNLSSA-N -1 3 294.738 3.011 20 0 CGADHM O=C([N-]OC/C=C/Cl)Nc1ccc2c(c1)C(=O)CCC2 ZINC000289958986 371863191 /nfs/dbraw/zinc/86/31/91/371863191.db2.gz MSIQMYBQCPIYBP-FARCUNLSSA-N -1 3 294.738 3.011 20 0 CGADHM O=C([O-])C[C@@H](NCc1ccsc1)c1cccs1 ZINC000037087944 541861675 /nfs/dbraw/zinc/86/16/75/541861675.db2.gz ZOUJETLXXLQABN-SNVBAGLBSA-N -1 3 267.375 3.115 20 0 CGADHM O=C(Nc1ccccc1[O-])c1sccc1OC(F)F ZINC000155102649 371905106 /nfs/dbraw/zinc/90/51/06/371905106.db2.gz AHWSFHMXAHMORA-UHFFFAOYSA-N -1 3 285.271 3.307 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2ccc(-c3ncc[nH]3)cc2)c1 ZINC000155237246 371916608 /nfs/dbraw/zinc/91/66/08/371916608.db2.gz FORKWJLRSMSQGD-UHFFFAOYSA-N -1 3 293.326 3.343 20 0 CGADHM CCCc1nc(C)c(C(=O)[N-]c2nnc(CC)s2)s1 ZINC000344128427 217064235 /nfs/dbraw/zinc/06/42/35/217064235.db2.gz VXXLNPAQALEQQH-UHFFFAOYSA-N -1 3 296.421 3.070 20 0 CGADHM Cc1ccc(C(=O)N2CCC[C@H](C3CC3)C2)c([O-])c1C ZINC000290677219 372037458 /nfs/dbraw/zinc/03/74/58/372037458.db2.gz QBHMASTXQSKKQW-AWEZNQCLSA-N -1 3 273.376 3.271 20 0 CGADHM CCc1ccc(CNC[C@]2(CC(=O)[O-])CC[C@H](C)C2)o1 ZINC000426637929 372167386 /nfs/dbraw/zinc/16/73/86/372167386.db2.gz HLGZGUOSPBTOFC-BLLLJJGKSA-N -1 3 279.380 3.213 20 0 CGADHM CCOCc1cccc(NC(=O)[N-]OC[C@H](C)CC)c1 ZINC000292844438 372224448 /nfs/dbraw/zinc/22/44/48/372224448.db2.gz FMIMTXAZBGISRI-GFCCVEGCSA-N -1 3 280.368 3.322 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)Nc1ccc2c(c1)CCCO2 ZINC000292916243 372248300 /nfs/dbraw/zinc/24/83/00/372248300.db2.gz LGCNHDGSBKDATF-NSHDSACASA-N -1 3 278.352 3.111 20 0 CGADHM Fc1ccc2c(c1)OCCC[C@@H]2[N-]c1nnc(C(F)F)o1 ZINC000292986986 372269476 /nfs/dbraw/zinc/26/94/76/372269476.db2.gz IJCIQICHPLFZOR-VIFPVBQESA-N -1 3 299.252 3.472 20 0 CGADHM Cc1ccccc1[C@@H](O)CNCc1cccc([O-])c1Cl ZINC000293546088 372408303 /nfs/dbraw/zinc/40/83/03/372408303.db2.gz KRHAJJLTMZIYOO-HNNXBMFYSA-N -1 3 291.778 3.177 20 0 CGADHM CCc1cc(=O)[n-]c(CN2CCC[C@@H]2c2cccc(C)c2)n1 ZINC000344351046 217164617 /nfs/dbraw/zinc/16/46/17/217164617.db2.gz NDWUZKVMVQJHBG-MRXNPFEDSA-N -1 3 297.402 3.390 20 0 CGADHM C[C@H](O)c1ccc(CNCc2cccc([O-])c2Cl)cc1 ZINC000293621243 372426636 /nfs/dbraw/zinc/42/66/36/372426636.db2.gz QHFGGWLESOAOLW-NSHDSACASA-N -1 3 291.778 3.389 20 0 CGADHM O=C(Nc1ncccc1[O-])c1cccc2ccsc21 ZINC000344402965 217182148 /nfs/dbraw/zinc/18/21/48/217182148.db2.gz MGRDNZTVCSYKAJ-UHFFFAOYSA-N -1 3 270.313 3.254 20 0 CGADHM C[C@H]1CCN(C(=O)c2c[n-]c3ccccc3c2=O)C[C@H](C)C1 ZINC000163427053 372469392 /nfs/dbraw/zinc/46/93/92/372469392.db2.gz FIYGVAHMRJAHLP-QWHCGFSZSA-N -1 3 298.386 3.036 20 0 CGADHM CCC[C@H]1[C@@H](C)CCCN1Cc1nc(CC)cc(=O)[n-]1 ZINC000344385264 217176070 /nfs/dbraw/zinc/17/60/70/217176070.db2.gz XSFARWVFUULOQX-JSGCOSHPSA-N -1 3 277.412 3.145 20 0 CGADHM CC(C)(C)C(C)(C)C[N-]S(=O)(=O)c1cccs1 ZINC000431575154 372485966 /nfs/dbraw/zinc/48/59/66/372485966.db2.gz PSAXCOQBXGEGCH-UHFFFAOYSA-N -1 3 275.439 3.099 20 0 CGADHM C[C@H]1C[C@H]1c1ccc(CCC(=O)Nc2ncccc2[O-])o1 ZINC000053287339 541877946 /nfs/dbraw/zinc/87/79/46/541877946.db2.gz OZMJFPBVLPVFIB-CMPLNLGQSA-N -1 3 286.331 3.075 20 0 CGADHM C[C@H](c1ccco1)N(C)C(=O)NCc1ccc([O-])c(F)c1 ZINC000163756060 372490553 /nfs/dbraw/zinc/49/05/53/372490553.db2.gz HKJVFECWMUFVGI-SNVBAGLBSA-N -1 3 292.310 3.027 20 0 CGADHM C[C@H](CSc1ccc(F)cc1)C(=O)[N-]OCC1CC1 ZINC000293849702 372501293 /nfs/dbraw/zinc/50/12/93/372501293.db2.gz UYKPWRQBANZTPW-SNVBAGLBSA-N -1 3 283.368 3.012 20 0 CGADHM CC(C)ON=C([O-])Nc1ccc(OC(F)(F)F)cc1 ZINC000294129699 372590544 /nfs/dbraw/zinc/59/05/44/372590544.db2.gz ONAZTUAQNYFXEG-UHFFFAOYSA-N -1 3 278.230 3.047 20 0 CGADHM CC(C)O[N-]C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000294129699 372590553 /nfs/dbraw/zinc/59/05/53/372590553.db2.gz ONAZTUAQNYFXEG-UHFFFAOYSA-N -1 3 278.230 3.047 20 0 CGADHM CC(C)[C@H]1CN(Cc2cccc([O-])c2Cl)CCCO1 ZINC000294186268 372607404 /nfs/dbraw/zinc/60/74/04/372607404.db2.gz XDMBYKKVBIIALW-CQSZACIVSA-N -1 3 283.799 3.293 20 0 CGADHM C[C@@H]1CCN(C(=O)CSC2CC2)c2c([O-])cccc21 ZINC000295393136 372762438 /nfs/dbraw/zinc/76/24/38/372762438.db2.gz RCBUDNXXKALSNE-SNVBAGLBSA-N -1 3 277.389 3.128 20 0 CGADHM Cc1ccc(-c2cnc(CCC(=O)[N-]OC(C)C)o2)cc1 ZINC000295498179 372803615 /nfs/dbraw/zinc/80/36/15/372803615.db2.gz GGAMGGBWJMEVLY-UHFFFAOYSA-N -1 3 288.347 3.039 20 0 CGADHM Cc1ccc(C(=O)N2C[C@@H](C)CC2(C)C)c([O-])c1C ZINC000436575374 372837856 /nfs/dbraw/zinc/83/78/56/372837856.db2.gz IRQVJVNWDMAPIH-JTQLQIEISA-N -1 3 261.365 3.270 20 0 CGADHM CC(C)O[N-]C(=O)[C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000295790633 372911950 /nfs/dbraw/zinc/91/19/50/372911950.db2.gz YZGGJQRZUMPITJ-VXGBXAGGSA-N -1 3 287.281 3.265 20 0 CGADHM CCN(Cc1ccncc1)Cc1c(F)ccc([O-])c1F ZINC000353493318 220113967 /nfs/dbraw/zinc/11/39/67/220113967.db2.gz SKHKLRDDLYSFQF-UHFFFAOYSA-N -1 3 278.302 3.088 20 0 CGADHM CCn1cc([C@@H](C)[N-]c2nc(-c3ccc(C)cc3)no2)cn1 ZINC000295862891 372939805 /nfs/dbraw/zinc/93/98/05/372939805.db2.gz BZOWKTBLWHYQSX-GFCCVEGCSA-N -1 3 297.362 3.435 20 0 CGADHM Cc1cc(NC([O-])=NOC(C)C)ccc1Br ZINC000296239522 373063641 /nfs/dbraw/zinc/06/36/41/373063641.db2.gz PWYLBTAHJBCBFJ-UHFFFAOYSA-N -1 3 287.157 3.219 20 0 CGADHM Cc1cc(NC(=O)[N-]OC(C)C)ccc1Br ZINC000296239522 373063645 /nfs/dbraw/zinc/06/36/45/373063645.db2.gz PWYLBTAHJBCBFJ-UHFFFAOYSA-N -1 3 287.157 3.219 20 0 CGADHM Cc1ncsc1C(=O)[N-]c1cc(-c2ccccc2)on1 ZINC000173069102 373086572 /nfs/dbraw/zinc/08/65/72/373086572.db2.gz OSAPMWKMSHVYQJ-UHFFFAOYSA-N -1 3 285.328 3.359 20 0 CGADHM COc1c(Cl)cc(NC([O-])=NOC(C)C)cc1Cl ZINC000296255253 373069988 /nfs/dbraw/zinc/06/99/88/373069988.db2.gz BUEQFMOUGAAVKB-UHFFFAOYSA-N -1 3 293.150 3.464 20 0 CGADHM COc1c(Cl)cc(NC(=O)[N-]OC(C)C)cc1Cl ZINC000296255253 373070000 /nfs/dbraw/zinc/07/00/00/373070000.db2.gz BUEQFMOUGAAVKB-UHFFFAOYSA-N -1 3 293.150 3.464 20 0 CGADHM COc1cc(C(=O)NC(C)(C)c2ccccc2)ccc1[O-] ZINC000442937705 373130544 /nfs/dbraw/zinc/13/05/44/373130544.db2.gz DJDNPFZTFHRKHY-UHFFFAOYSA-N -1 3 285.343 3.066 20 0 CGADHM O=C(CCC1CC1)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000442935451 373131325 /nfs/dbraw/zinc/13/13/25/373131325.db2.gz SRNLTFGDSOLZEG-UHFFFAOYSA-N -1 3 289.253 3.420 20 0 CGADHM CCN(CCO)C(=O)c1cc(C(C)C)cc(C(C)C)c1[O-] ZINC000298814035 373413340 /nfs/dbraw/zinc/41/33/40/373413340.db2.gz UZJPHFCMJAEPIO-UHFFFAOYSA-N -1 3 293.407 3.093 20 0 CGADHM COc1ccc([O-])c(C(=O)N2C[C@H](C)[C@H]2c2ccccc2)c1 ZINC000175152198 373418585 /nfs/dbraw/zinc/41/85/85/373418585.db2.gz MYTMNJVETZHEOV-SJCJKPOMSA-N -1 3 297.354 3.234 20 0 CGADHM Cc1ccccc1C[C@@H](C)N(C)C(=O)c1cccc([O-])c1 ZINC000446984730 373392093 /nfs/dbraw/zinc/39/20/93/373392093.db2.gz KXLVVWUDNQIONC-CQSZACIVSA-N -1 3 283.371 3.404 20 0 CGADHM CC(C)[C@@H](C)N(C)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000299042869 373451545 /nfs/dbraw/zinc/45/15/45/373451545.db2.gz DAYMNGBMERXNSY-LLVKDONJSA-N -1 3 272.348 3.057 20 0 CGADHM Cc1ccc(SCCNC(=O)c2cccc([O-])c2)cc1 ZINC000175761557 373516527 /nfs/dbraw/zinc/51/65/27/373516527.db2.gz OOQRHOOGNBAKNB-UHFFFAOYSA-N -1 3 287.384 3.223 20 0 CGADHM C[C@@H]1CCC[C@@H](NC(=O)Cc2ccc([O-])c(F)c2)[C@@H]1C ZINC000448568113 373602732 /nfs/dbraw/zinc/60/27/32/373602732.db2.gz DMGJNGMBKPFMKX-JTNHKYCSSA-N -1 3 279.355 3.015 20 0 CGADHM CCCCc1nnc([N-]C(=O)c2cc(OC)cs2)s1 ZINC000176626886 373618704 /nfs/dbraw/zinc/61/87/04/373618704.db2.gz YYHAYLCSTAYNAH-UHFFFAOYSA-N -1 3 297.405 3.203 20 0 CGADHM Cc1cccc([O-])c1NC(=O)c1cc(F)ccc1F ZINC000179561417 373888207 /nfs/dbraw/zinc/88/82/07/373888207.db2.gz VGGACDYSLYZSJV-UHFFFAOYSA-N -1 3 263.243 3.231 20 0 CGADHM O=C(CCOc1ccc(F)cc1)Nc1cc(F)ccc1[O-] ZINC000179645831 373898190 /nfs/dbraw/zinc/89/81/90/373898190.db2.gz ARQGJZDAMCXVMQ-UHFFFAOYSA-N -1 3 293.269 3.078 20 0 CGADHM O=C(CCc1ccco1)Nc1ccc(Cl)cc1[O-] ZINC000179194037 373844526 /nfs/dbraw/zinc/84/45/26/373844526.db2.gz DRRBNGOGYQGYEM-UHFFFAOYSA-N -1 3 265.696 3.210 20 0 CGADHM Cc1cccc([N-]S(=O)(=O)c2ccc(F)cc2)c1F ZINC000180016162 373955266 /nfs/dbraw/zinc/95/52/66/373955266.db2.gz RJHKZLJSNCTROO-UHFFFAOYSA-N -1 3 283.299 3.074 20 0 CGADHM CCC[C@H](C)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000179857971 373928359 /nfs/dbraw/zinc/92/83/59/373928359.db2.gz PEZVPCXHRSOIPT-GXTWGEPZSA-N -1 3 261.365 3.433 20 0 CGADHM Cc1ncc(CN[C@@H](CCC(C)C)c2ccoc2)c(=O)[n-]1 ZINC000353668496 220240782 /nfs/dbraw/zinc/24/07/82/220240782.db2.gz GPDAABJHZIJVEL-HNNXBMFYSA-N -1 3 289.379 3.351 20 0 CGADHM CC(C)c1cccc(-c2ccc(C(=O)[N-]c3nc[nH]n3)o2)c1 ZINC000180379953 373997256 /nfs/dbraw/zinc/99/72/56/373997256.db2.gz QFAVQNDRSVRTKQ-UHFFFAOYSA-N -1 3 296.330 3.440 20 0 CGADHM CCCC[C@@H]1CCC[C@@H]1NC(=O)c1cccc(OC)c1[O-] ZINC000303202234 374011519 /nfs/dbraw/zinc/01/15/19/374011519.db2.gz ONMQIPPRECWGAA-OCCSQVGLSA-N -1 3 291.391 3.490 20 0 CGADHM CC[C@@H]1CCC[C@@H](NC(=O)Cc2ccc([O-])c(F)c2)C1 ZINC000449924792 373974540 /nfs/dbraw/zinc/97/45/40/373974540.db2.gz RBUSBWWKSAKAIH-DGCLKSJQSA-N -1 3 279.355 3.159 20 0 CGADHM Cc1ccc([O-])c(C(=O)NC[C@H](C)Cc2cccs2)c1 ZINC000303879457 374029474 /nfs/dbraw/zinc/02/94/74/374029474.db2.gz JBHOSGAEIYYNDV-GFCCVEGCSA-N -1 3 289.400 3.371 20 0 CGADHM CCSCc1nc(=O)c2c3c(sc2[n-]1)CSCC3 ZINC000180969787 374064735 /nfs/dbraw/zinc/06/47/35/374064735.db2.gz WWLUEDPOJGUPJT-UHFFFAOYSA-N -1 3 298.458 3.027 20 0 CGADHM CC(C)c1ccccc1OCCNC(=O)c1cccc([O-])c1 ZINC000182426893 374271656 /nfs/dbraw/zinc/27/16/56/374271656.db2.gz FYLYHDJKZRANJF-UHFFFAOYSA-N -1 3 299.370 3.324 20 0 CGADHM CC(C)(CNC(=O)c1cccc([O-])c1)C1=CCCC1 ZINC000312286541 374275718 /nfs/dbraw/zinc/27/57/18/374275718.db2.gz QZEJOSIAVMGPTG-UHFFFAOYSA-N -1 3 259.349 3.259 20 0 CGADHM O=C(N[C@H]1CCc2c1cccc2Cl)c1cccc([O-])c1 ZINC000182216242 374239374 /nfs/dbraw/zinc/23/93/74/374239374.db2.gz XFCJNPFXHFNXHO-HNNXBMFYSA-N -1 3 287.746 3.463 20 0 CGADHM CC(F)(F)CCNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000452216085 374283445 /nfs/dbraw/zinc/28/34/45/374283445.db2.gz MOFGFFKEKFEYRM-UHFFFAOYSA-N -1 3 289.297 3.016 20 0 CGADHM Cc1cccc(C(=O)N2C[C@H](C)C[C@H]2c2cccnc2)c1[O-] ZINC000182790952 374329019 /nfs/dbraw/zinc/32/90/19/374329019.db2.gz KWPKDEALGKCHIZ-WBMJQRKESA-N -1 3 296.370 3.319 20 0 CGADHM O=C([O-])[C@@H](NCc1ccc2ncccc2c1)c1ccccc1 ZINC000315647961 374330063 /nfs/dbraw/zinc/33/00/63/374330063.db2.gz XKAHJTNCQOQNBU-KRWDZBQOSA-N -1 3 292.338 3.150 20 0 CGADHM C[C@@H]1CCN(C(=O)c2ccc3c(c2[O-])CCCC3)[C@@H]1C ZINC000183026673 374357673 /nfs/dbraw/zinc/35/76/73/374357673.db2.gz QBEXFNQCPPMIBP-VXGBXAGGSA-N -1 3 273.376 3.142 20 0 CGADHM Cc1cccc([O-])c1NC(=O)c1ccc2cc[nH]c2c1 ZINC000183041605 374360882 /nfs/dbraw/zinc/36/08/82/374360882.db2.gz HWZXKSJPLSBKRI-UHFFFAOYSA-N -1 3 266.300 3.434 20 0 CGADHM CCSc1cc(C(=O)Nc2ccc([O-])cc2F)ccn1 ZINC000183255290 374392565 /nfs/dbraw/zinc/39/25/65/374392565.db2.gz HCLAQRMMSDINKJ-UHFFFAOYSA-N -1 3 292.335 3.291 20 0 CGADHM CC(C)(C)c1ccc(NC(=O)CC[C@@H]2CCOC2)c([O-])c1 ZINC000330386712 374457553 /nfs/dbraw/zinc/45/75/53/374457553.db2.gz BCXUUZXNYQFKRO-GFCCVEGCSA-N -1 3 291.391 3.445 20 0 CGADHM C[C@@H]1CCCC[C@@H]1OCC(=O)Nc1cc(F)ccc1[O-] ZINC000330487589 374472689 /nfs/dbraw/zinc/47/26/89/374472689.db2.gz GVFZKMZJZKYTET-YGRLFVJLSA-N -1 3 281.327 3.065 20 0 CGADHM O=S(=O)([N-]c1ccsc1Cl)c1ccsc1 ZINC000334182280 206158002 /nfs/dbraw/zinc/15/80/02/206158002.db2.gz FGPUUMWWXPVMQT-UHFFFAOYSA-N -1 3 279.795 3.264 20 0 CGADHM CC1CCC(CC(=O)Nc2nnc(-c3ccccn3)[n-]2)CC1 ZINC000332263251 374564481 /nfs/dbraw/zinc/56/44/81/374564481.db2.gz BLHZDYIOXNULMU-UHFFFAOYSA-N -1 3 299.378 3.022 20 0 CGADHM CC1CCC(CC(=O)Nc2nc(-c3ccccn3)n[n-]2)CC1 ZINC000332263251 374564488 /nfs/dbraw/zinc/56/44/88/374564488.db2.gz BLHZDYIOXNULMU-UHFFFAOYSA-N -1 3 299.378 3.022 20 0 CGADHM CC1CCC(CC(=O)Nc2n[n-]c(-c3ccccn3)n2)CC1 ZINC000332263251 374564494 /nfs/dbraw/zinc/56/44/94/374564494.db2.gz BLHZDYIOXNULMU-UHFFFAOYSA-N -1 3 299.378 3.022 20 0 CGADHM CC(C)(C)c1ncc(C=Cc2cc(=O)[n-]c(C3CC3)n2)cn1 ZINC000333940212 374631221 /nfs/dbraw/zinc/63/12/21/374631221.db2.gz NVLWGYFXQHQQPA-QPJJXVBHSA-N -1 3 296.374 3.318 20 0 CGADHM Cc1nc([N-]C(=O)c2c(F)c(F)cc(F)c2F)cs1 ZINC000334228441 206221056 /nfs/dbraw/zinc/22/10/56/206221056.db2.gz OFIWIFNUVAYJOW-UHFFFAOYSA-N -1 3 290.241 3.260 20 0 CGADHM CC(C)[C@]1(C)C[C@@H]1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000458133600 374700806 /nfs/dbraw/zinc/70/08/06/374700806.db2.gz PKKUGALLUWELQJ-RDJZCZTQSA-N -1 3 293.382 3.405 20 0 CGADHM C[C@H](C(=O)Nc1ccc(Cl)cc1[O-])C(F)(F)F ZINC000334392518 374709825 /nfs/dbraw/zinc/70/98/25/374709825.db2.gz XWJNOHZUEOCONF-RXMQYKEDSA-N -1 3 267.634 3.183 20 0 CGADHM C[C@@H](C(=O)Nc1ccc(Cl)cc1[O-])C(F)(F)F ZINC000334392519 374710176 /nfs/dbraw/zinc/71/01/76/374710176.db2.gz XWJNOHZUEOCONF-YFKPBYRVSA-N -1 3 267.634 3.183 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])c1conc1C1CC1 ZINC000334415301 374731170 /nfs/dbraw/zinc/73/11/70/374731170.db2.gz WYERZNSMZHWCTK-UHFFFAOYSA-N -1 3 278.695 3.163 20 0 CGADHM O=C(Cc1ccsc1)Nc1ccc(Cl)cc1[O-] ZINC000334415658 374732901 /nfs/dbraw/zinc/73/29/01/374732901.db2.gz NFIRLMZEUJFTTM-UHFFFAOYSA-N -1 3 267.737 3.288 20 0 CGADHM C[C@@H](C(=O)Nc1cc(Cl)ccc1[O-])C(F)(F)F ZINC000334415662 374733109 /nfs/dbraw/zinc/73/31/09/374733109.db2.gz NFPJNMNJRRKQHD-YFKPBYRVSA-N -1 3 267.634 3.183 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CC[C@@H](C(F)(F)F)[C@@H]2C)c1 ZINC000334470490 374777058 /nfs/dbraw/zinc/77/70/58/374777058.db2.gz FSIDXWGVDBOHND-GXSJLCMTSA-N -1 3 287.281 3.114 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2cnn([C@H](C)C3CC3)c2)c1 ZINC000186368351 374838384 /nfs/dbraw/zinc/83/83/84/374838384.db2.gz NTASMSZVYWBJHB-LLVKDONJSA-N -1 3 285.347 3.120 20 0 CGADHM C[C@H]1CCN(C(=O)c2cccc3nn[n-]c32)c2ccccc21 ZINC000187232355 374990558 /nfs/dbraw/zinc/99/05/58/374990558.db2.gz FAYYOHDWDKODJJ-NSHDSACASA-N -1 3 292.342 3.112 20 0 CGADHM C[C@H]1CCN(C(=O)c2cccc3[n-]nnc32)c2ccccc21 ZINC000187232355 374990568 /nfs/dbraw/zinc/99/05/68/374990568.db2.gz FAYYOHDWDKODJJ-NSHDSACASA-N -1 3 292.342 3.112 20 0 CGADHM C[C@H]1CCN(C(=O)c2cccc3n[n-]nc32)c2ccccc21 ZINC000187232355 374990575 /nfs/dbraw/zinc/99/05/75/374990575.db2.gz FAYYOHDWDKODJJ-NSHDSACASA-N -1 3 292.342 3.112 20 0 CGADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)CC2CC2)sc1Cl ZINC000473857643 375064276 /nfs/dbraw/zinc/06/42/76/375064276.db2.gz SYHOBJKTQTUGTN-QMMMGPOBSA-N -1 3 293.841 3.177 20 0 CGADHM Cc1ccc(NC(=O)c2cn[n-]c2-c2ccsc2)cn1 ZINC000188809172 375273584 /nfs/dbraw/zinc/27/35/84/375273584.db2.gz NPISIOYQAIZGGA-UHFFFAOYSA-N -1 3 284.344 3.094 20 0 CGADHM Cc1ccc(NC(=O)c2c[n-]nc2-c2ccsc2)cn1 ZINC000188809172 375273587 /nfs/dbraw/zinc/27/35/87/375273587.db2.gz NPISIOYQAIZGGA-UHFFFAOYSA-N -1 3 284.344 3.094 20 0 CGADHM CSc1ccc(Cl)cc1[N-]C(=O)c1cncnc1 ZINC000335789054 375432509 /nfs/dbraw/zinc/43/25/09/375432509.db2.gz ZUBYXHJIASCZFZ-UHFFFAOYSA-N -1 3 279.752 3.104 20 0 CGADHM C/C=C(/C=C\C(=O)NCc1ccc([O-])c(F)c1)CC ZINC000492177855 375437891 /nfs/dbraw/zinc/43/78/91/375437891.db2.gz AVRIOANEEGEZCS-RMPJALIQSA-N -1 3 263.312 3.060 20 0 CGADHM Cc1cc(C(=O)N2CCC=C(c3ccco3)C2)ccc1[O-] ZINC000335916112 375538764 /nfs/dbraw/zinc/53/87/64/375538764.db2.gz OMNVAKRGBFZBBO-UHFFFAOYSA-N -1 3 283.327 3.223 20 0 CGADHM O=C([N-]c1ccc(F)c(F)c1F)c1cc(C2CC2)no1 ZINC000335855443 375487821 /nfs/dbraw/zinc/48/78/21/375487821.db2.gz PIWNXIVKUXGUSJ-UHFFFAOYSA-N -1 3 282.221 3.222 20 0 CGADHM Cc1ccn(C)c1C(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000190323200 375495264 /nfs/dbraw/zinc/49/52/64/375495264.db2.gz JHEPGWGWOBGPQC-UHFFFAOYSA-N -1 3 298.264 3.310 20 0 CGADHM O=C(Nc1ccc([O-])cc1F)c1coc(C2CCCC2)n1 ZINC000335868598 375497927 /nfs/dbraw/zinc/49/79/27/375497927.db2.gz FSZJPVFWODQKNB-UHFFFAOYSA-N -1 3 290.294 3.429 20 0 CGADHM CCCCOc1ccc(C(=O)N(CC)CC2CC2)c([O-])c1 ZINC000190397642 375503912 /nfs/dbraw/zinc/50/39/12/375503912.db2.gz MTKHADWFSVVMLG-UHFFFAOYSA-N -1 3 291.391 3.443 20 0 CGADHM Cc1sccc1CC(=O)Nc1ccc([O-])cc1F ZINC000336050598 375647444 /nfs/dbraw/zinc/64/74/44/375647444.db2.gz JZGVHJSDNGWHID-UHFFFAOYSA-N -1 3 265.309 3.082 20 0 CGADHM CCc1nc(C)c(C(=O)Nc2cc(Cl)ccc2[O-])o1 ZINC000336039057 375638655 /nfs/dbraw/zinc/63/86/55/375638655.db2.gz GZIJTQDMFQFNRA-UHFFFAOYSA-N -1 3 280.711 3.157 20 0 CGADHM C[C@@H](c1cccc(Cl)c1)N1CCC(C(=O)[O-])CC1 ZINC000086726998 296232546 /nfs/dbraw/zinc/23/25/46/296232546.db2.gz ODXUOLKOGPXDKV-JTQLQIEISA-N -1 3 267.756 3.198 20 0 CGADHM CC(C)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cccs2)C1 ZINC000507536986 375713610 /nfs/dbraw/zinc/71/36/10/375713610.db2.gz PWXDROVMJMSEFY-NEPJUHHUSA-N -1 3 287.450 3.241 20 0 CGADHM Cc1ccc([C@@H](C)N[C@@H](C)c2nc(C)cc(=O)[n-]2)cc1 ZINC000192724099 375783748 /nfs/dbraw/zinc/78/37/48/375783748.db2.gz HIWDERRSPYPDQP-OLZOCXBDSA-N -1 3 271.364 3.211 20 0 CGADHM CCCn1c(=O)[n-]nc1SC[C@H]1CCCC(F)(F)C1 ZINC000509088977 375771917 /nfs/dbraw/zinc/77/19/17/375771917.db2.gz HREVXXODBOILLC-VIFPVBQESA-N -1 3 291.367 3.311 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N[C@H](C)c2cccc(F)c2F)n1 ZINC000192764666 375786721 /nfs/dbraw/zinc/78/67/21/375786721.db2.gz KFFSBMHWFKQAIR-ZJUUUORDSA-N -1 3 293.317 3.181 20 0 CGADHM O=C(c1ccccc1[O-])N1CCC[C@@H]1c1cccs1 ZINC000192917673 375801193 /nfs/dbraw/zinc/80/11/93/375801193.db2.gz REULHEWXKLDZBT-GFCCVEGCSA-N -1 3 273.357 3.431 20 0 CGADHM C[C@H]1CN(C(=O)c2c[n-]c3ccccc3c2=O)CC(C)(C)C1 ZINC000336595297 375860817 /nfs/dbraw/zinc/86/08/17/375860817.db2.gz NZMJLKQUPRPFEE-GFCCVEGCSA-N -1 3 298.386 3.036 20 0 CGADHM CCCN(C)c1ccc(C(=O)Nc2nc(C)ccc2[O-])cc1 ZINC000346005789 217776865 /nfs/dbraw/zinc/77/68/65/217776865.db2.gz ZFPMUXHJCFEJMY-UHFFFAOYSA-N -1 3 299.374 3.194 20 0 CGADHM CCc1onc(C)c1[N-]C(=O)c1ccoc1Br ZINC000193766074 375920199 /nfs/dbraw/zinc/92/01/99/375920199.db2.gz ATEUDLNZCHPGQJ-UHFFFAOYSA-N -1 3 299.124 3.153 20 0 CGADHM O=C([O-])[C@H]1C=C[C@H](NCc2ccc(Cl)c(Cl)c2)C1 ZINC000336790530 375940113 /nfs/dbraw/zinc/94/01/13/375940113.db2.gz LNZQPGOBUPRIFD-UWVGGRQHSA-N -1 3 286.158 3.112 20 0 CGADHM COc1cc(/C=C\c2ccncn2)cc(Cl)c1[O-] ZINC000535036143 376015352 /nfs/dbraw/zinc/01/53/52/376015352.db2.gz UDDOHCKHMWDSFD-IHWYPQMZSA-N -1 3 262.696 3.015 20 0 CGADHM C[C@H]1CCCC[C@@H]1CC(=O)N=c1cc(-c2cccnc2)[n-][nH]1 ZINC000534386662 375982941 /nfs/dbraw/zinc/98/29/41/375982941.db2.gz PDOFULKGFKZALC-QWHCGFSZSA-N -1 3 298.390 3.049 20 0 CGADHM CCCC[C@H](C)C(=O)[N-]c1oc(CC)nc1C(=O)OCC ZINC000337093345 376077898 /nfs/dbraw/zinc/07/78/98/376077898.db2.gz MFAMEHNTPXUIIZ-JTQLQIEISA-N -1 3 296.367 3.179 20 0 CGADHM CCC[C@@H]1CCCCN1Cc1cc(C)c(C(=O)[O-])o1 ZINC000213410005 376140762 /nfs/dbraw/zinc/14/07/62/376140762.db2.gz UMQZBALBSNXSIJ-GFCCVEGCSA-N -1 3 265.353 3.441 20 0 CGADHM C[C@H](N[C@@H](C)c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000223833160 376263743 /nfs/dbraw/zinc/26/37/43/376263743.db2.gz UUPRTKQMXDXNSA-BQBZGAKWSA-N -1 3 262.136 3.117 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CCC[C@@H]2C(C)C)c1 ZINC000538743941 376267655 /nfs/dbraw/zinc/26/76/55/376267655.db2.gz XLINYBFYXLQXSE-CQSZACIVSA-N -1 3 261.365 3.215 20 0 CGADHM Cc1cc(C(=O)N2CCC[C@H]3CCC[C@@H]32)ccc1[O-] ZINC000226717966 376370376 /nfs/dbraw/zinc/37/03/76/376370376.db2.gz MGAQWASAOGSLFU-OCCSQVGLSA-N -1 3 259.349 3.105 20 0 CGADHM CC(C)CCO[C@@H]1CCN(Cc2ccc(C(=O)[O-])cc2)C1 ZINC000263571279 190069666 /nfs/dbraw/zinc/06/96/66/190069666.db2.gz JEJBNEUUFMSYHA-MRXNPFEDSA-N -1 3 291.391 3.022 20 0 CGADHM C[C@H]([N-]c1nc2ccccc2o1)C(=O)N1CCCC[C@H]1C ZINC000263747308 190076729 /nfs/dbraw/zinc/07/67/29/190076729.db2.gz DYXJHRSMTYGRSS-NEPJUHHUSA-N -1 3 287.363 3.029 20 0 CGADHM CN(CCc1cccs1)C(=O)c1cc([O-])ccc1Cl ZINC000234269723 376614904 /nfs/dbraw/zinc/61/49/04/376614904.db2.gz WWNBJCRCHFXHRD-UHFFFAOYSA-N -1 3 295.791 3.422 20 0 CGADHM COc1cccc(NC(=O)c2cc([O-])ccc2Cl)c1 ZINC000234978247 376626205 /nfs/dbraw/zinc/62/62/05/376626205.db2.gz TUDKCKHMKOZMMK-UHFFFAOYSA-N -1 3 277.707 3.307 20 0 CGADHM Cc1cc(NC(=O)c2cc([O-])ccc2Cl)ccn1 ZINC000235877997 376652060 /nfs/dbraw/zinc/65/20/60/376652060.db2.gz CQQQMKKSVLHHFD-UHFFFAOYSA-N -1 3 262.696 3.001 20 0 CGADHM O=C(NCCc1ccccc1F)c1cc([O-])ccc1Cl ZINC000236613387 376672531 /nfs/dbraw/zinc/67/25/31/376672531.db2.gz VZSPSCXBNWSBJY-UHFFFAOYSA-N -1 3 293.725 3.157 20 0 CGADHM C[C@@H]1CCN(C(=O)c2cccc([O-])c2)[C@@H]2CCCC[C@H]12 ZINC000543746466 376673790 /nfs/dbraw/zinc/67/37/90/376673790.db2.gz PQRFXJGRFQGJMZ-DAXOMENPSA-N -1 3 273.376 3.433 20 0 CGADHM Cc1ccc(C(=O)N2CC[C@@H](c3ccccc3F)C2)c([O-])c1 ZINC000264503974 190114771 /nfs/dbraw/zinc/11/47/71/190114771.db2.gz ZURATYVGWQDTEV-CYBMUJFWSA-N -1 3 299.345 3.469 20 0 CGADHM COc1ccc(NC(=O)CCCC[C@@H](C)C(C)=O)c([O-])c1 ZINC000135417822 542088485 /nfs/dbraw/zinc/08/84/85/542088485.db2.gz BFAGARAUAMKWAV-LLVKDONJSA-N -1 3 293.363 3.125 20 0 CGADHM COc1ccc(NC(=O)[C@@H](C)c2cccc(F)c2)c([O-])c1 ZINC000135432149 542087660 /nfs/dbraw/zinc/08/76/60/542087660.db2.gz HZVCBFVKYRPQSG-JTQLQIEISA-N -1 3 289.306 3.282 20 0 CGADHM Cc1ccc(NC(=O)CNc2c(C)cccc2C)c([O-])c1 ZINC000340031890 376893783 /nfs/dbraw/zinc/89/37/83/376893783.db2.gz HLKLEYVAWBDNKK-UHFFFAOYSA-N -1 3 284.359 3.368 20 0 CGADHM CSc1nnc(NC(=O)C[C@@H]2C[C@H](C)CC(C)(C)C2)[n-]1 ZINC000340263361 376972125 /nfs/dbraw/zinc/97/21/25/376972125.db2.gz PGDYIAXJKJPHQG-UWVGGRQHSA-N -1 3 296.440 3.318 20 0 CGADHM CSc1n[n-]c(NC(=O)C[C@@H]2C[C@H](C)CC(C)(C)C2)n1 ZINC000340263361 376972130 /nfs/dbraw/zinc/97/21/30/376972130.db2.gz PGDYIAXJKJPHQG-UWVGGRQHSA-N -1 3 296.440 3.318 20 0 CGADHM CSc1nc(NC(=O)C[C@@H]2C[C@H](C)CC(C)(C)C2)n[n-]1 ZINC000340263361 376972136 /nfs/dbraw/zinc/97/21/36/376972136.db2.gz PGDYIAXJKJPHQG-UWVGGRQHSA-N -1 3 296.440 3.318 20 0 CGADHM O=C(Nc1c([O-])cccc1Cl)c1ccc(F)cc1 ZINC000557182217 376924245 /nfs/dbraw/zinc/92/42/45/376924245.db2.gz LQMMUAHIODAIOG-UHFFFAOYSA-N -1 3 265.671 3.437 20 0 CGADHM CC(C)(C)c1ccc(NC(=O)[C@@H]2CCCOCC2)c([O-])c1 ZINC000558617739 377024584 /nfs/dbraw/zinc/02/45/84/377024584.db2.gz QNMRPKFUUCMGBN-GFCCVEGCSA-N -1 3 291.391 3.445 20 0 CGADHM CC[C@@H](C(=O)Nc1ccc(Cl)cc1[O-])N(CC)CC ZINC000340327739 377002245 /nfs/dbraw/zinc/00/22/45/377002245.db2.gz DHDLJZJAVGBSPV-LBPRGKRZSA-N -1 3 284.787 3.105 20 0 CGADHM O=C([O-])C1(NCc2ccc(Oc3ccccc3)o2)CCC1 ZINC000340672311 377204269 /nfs/dbraw/zinc/20/42/69/377204269.db2.gz ARFPWXWVJBIJFD-UHFFFAOYSA-N -1 3 287.315 3.169 20 0 CGADHM CCC[C@@H]1CCCN([C@H](C)c2nc(C)cc(=O)[n-]2)C1 ZINC000248752638 377396390 /nfs/dbraw/zinc/39/63/90/377396390.db2.gz OUYXMYFVUUKWDM-CHWSQXEVSA-N -1 3 263.385 3.064 20 0 CGADHM Clc1cc(-c2nc(C[C@H]3CCCO3)no2)[n-]c1Cl ZINC000264999842 190151462 /nfs/dbraw/zinc/15/14/62/190151462.db2.gz KKSSHEASVZFFMQ-ZCFIWIBFSA-N -1 3 288.134 3.093 20 0 CGADHM COc1cccc(Cl)c1CN1CC[C@H](C)C[C@H]1C(=O)[O-] ZINC000563289630 377437943 /nfs/dbraw/zinc/43/79/43/377437943.db2.gz MWSPGKAYGHZMFV-GWCFXTLKSA-N -1 3 297.782 3.034 20 0 CGADHM CCCCN(C)C(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC000341237520 377460121 /nfs/dbraw/zinc/46/01/21/377460121.db2.gz RCTRDFSUEGVLTJ-UHFFFAOYSA-N -1 3 292.766 3.054 20 0 CGADHM CCc1cc(NCc2cc(=O)[n-]c(C3CC3)n2)ccc1F ZINC000417037263 249125163 /nfs/dbraw/zinc/12/51/63/249125163.db2.gz UZXKIZQIDNKMMD-UHFFFAOYSA-N -1 3 287.338 3.373 20 0 CGADHM [O-]c1cccc(CN2C[C@@H]3CCC[C@H]3C2)c1Br ZINC000315317685 249099246 /nfs/dbraw/zinc/09/92/46/249099246.db2.gz AOLYWFNOUDAVAL-QWRGUYRKSA-N -1 3 296.208 3.387 20 0 CGADHM CCOc1cc(CN2CC[C@@H]2C2CC2)cc(Cl)c1[O-] ZINC000459572012 249157437 /nfs/dbraw/zinc/15/74/37/249157437.db2.gz GYXSQRBYFULOJB-CYBMUJFWSA-N -1 3 281.783 3.429 20 0 CGADHM CC[C@H]1CCN(Cc2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC000514944358 249195706 /nfs/dbraw/zinc/19/57/06/249195706.db2.gz PXHQFFWXURKRBO-JTQLQIEISA-N -1 3 267.756 3.270 20 0 CGADHM CC(C)c1noc([N-][C@H]2CCOc3ccc(F)cc32)n1 ZINC000265618155 190194167 /nfs/dbraw/zinc/19/41/67/190194167.db2.gz MNMAETFIXQWPKW-NSHDSACASA-N -1 3 277.299 3.268 20 0 CGADHM Cc1ccc([O-])c(C(=O)N[C@@H]2CCc3c2cccc3C)c1 ZINC000517094904 249256821 /nfs/dbraw/zinc/25/68/21/249256821.db2.gz CIFXCUDOKJFORW-MRXNPFEDSA-N -1 3 281.355 3.426 20 0 CGADHM CC(C)Cc1nnc([N-]C(=O)c2ncccc2Cl)s1 ZINC000341505388 377597159 /nfs/dbraw/zinc/59/71/59/377597159.db2.gz JUYUMZHSJMLDEF-UHFFFAOYSA-N -1 3 296.783 3.037 20 0 CGADHM CO[C@H]1CCN([C@H](C)c2cc(C(=O)[O-])c(C)o2)CC1(C)C ZINC000574704873 377699569 /nfs/dbraw/zinc/69/95/69/377699569.db2.gz RXUGZJNAWFNBAU-YGRLFVJLSA-N -1 3 295.379 3.094 20 0 CGADHM Cc1ccc([C@H]2CCCN2Cc2ccc(C(=O)[O-])cn2)cc1 ZINC000574578846 377683375 /nfs/dbraw/zinc/68/33/75/377683375.db2.gz SKFGETQPSKCWHH-QGZVFWFLSA-N -1 3 296.370 3.425 20 0 CGADHM C[C@@H](CN(C)[C@@H](C)c1ncc(-c2ccccc2)o1)C(=O)[O-] ZINC000574921546 377725728 /nfs/dbraw/zinc/72/57/28/377725728.db2.gz DTYCZAFUKLYQBF-RYUDHWBXSA-N -1 3 288.347 3.055 20 0 CGADHM C[C@@H](c1ccccc1)N(C(=O)c1csc(=O)[n-]1)C1CC1 ZINC000342688736 377734906 /nfs/dbraw/zinc/73/49/06/377734906.db2.gz HINOCWZVJHSHNB-JTQLQIEISA-N -1 3 288.372 3.215 20 0 CGADHM CC(C)C[C@@H](C(=O)[O-])N1CCc2c(Cl)cccc2C1 ZINC000574995573 377737026 /nfs/dbraw/zinc/73/70/26/377737026.db2.gz GSYDFQYYHQXMRZ-AWEZNQCLSA-N -1 3 281.783 3.197 20 0 CGADHM O=C(/C=C\c1ccnc(Cl)c1)Nc1cccc([O-])c1F ZINC000255520980 377763685 /nfs/dbraw/zinc/76/36/85/377763685.db2.gz QTXOFDRNCROBLB-PLNGDYQASA-N -1 3 292.697 3.232 20 0 CGADHM CC[C@@H](C)n1nc([N-]c2nccc(C(F)(F)F)n2)cc1C ZINC000342793532 377798418 /nfs/dbraw/zinc/79/84/18/377798418.db2.gz VGJFNFYAVSYOJE-MRVPVSSYSA-N -1 3 299.300 3.137 20 0 CGADHM CSCc1ccc(CNC(=O)c2cccc([O-])c2)cc1 ZINC000343089613 377899503 /nfs/dbraw/zinc/89/95/03/377899503.db2.gz TVFSPRWBSJTMGF-UHFFFAOYSA-N -1 3 287.384 3.185 20 0 CGADHM COc1ccc(CN2C[C@@H](C(=O)[O-])CC[C@H]2C)c(Cl)c1 ZINC000263350732 377927866 /nfs/dbraw/zinc/92/78/66/377927866.db2.gz PRSIAXNRMIKSJQ-PWSUYJOCSA-N -1 3 297.782 3.034 20 0 CGADHM CC(C)CCO[C@@H]1CCN(Cc2cccc(C(=O)[O-])c2)C1 ZINC000263379235 377931045 /nfs/dbraw/zinc/93/10/45/377931045.db2.gz COBRGFBUPHSBDU-MRXNPFEDSA-N -1 3 291.391 3.022 20 0 CGADHM O=C([O-])c1ccc(CNCCOC2CCCCCC2)cc1 ZINC000263441224 377937397 /nfs/dbraw/zinc/93/73/97/377937397.db2.gz WMRGAZMUDJRORR-UHFFFAOYSA-N -1 3 291.391 3.214 20 0 CGADHM Cc1cc2cc(CN3CCC[C@H](C(=O)[O-])C3)oc2cc1C ZINC000263442856 377937829 /nfs/dbraw/zinc/93/78/29/377937829.db2.gz XAUSECXJZFISLT-ZDUSSCGKSA-N -1 3 287.359 3.346 20 0 CGADHM CCc1cccc(Cl)c1CN(C)C[C@@H](C)C(=O)[O-] ZINC000263510291 377943109 /nfs/dbraw/zinc/94/31/09/377943109.db2.gz NEYFZZBOBUEWRD-SNVBAGLBSA-N -1 3 269.772 3.055 20 0 CGADHM O=C([O-])[C@@]12CCC[C@H]1CN(Cc1cc(Cl)cs1)C2 ZINC000263519565 377944177 /nfs/dbraw/zinc/94/41/77/377944177.db2.gz QKGHCZHFTTXXAH-TVQRCGJNSA-N -1 3 285.796 3.088 20 0 CGADHM CCCc1cc(NCCC(=O)[O-])c2ccccc2n1 ZINC000263528797 377944605 /nfs/dbraw/zinc/94/46/05/377944605.db2.gz VKXOBPHDIMHVOE-UHFFFAOYSA-N -1 3 258.321 3.074 20 0 CGADHM C[C@H](c1ccco1)N(C)CCC(C)(C)CC(=O)[O-] ZINC000575413096 377906498 /nfs/dbraw/zinc/90/64/98/377906498.db2.gz XFCKXCDWBJMKTE-LLVKDONJSA-N -1 3 253.342 3.163 20 0 CGADHM [O-]c1cccnc1CN1CC2(CCC2)[C@@H]1c1ccco1 ZINC000577823165 378015349 /nfs/dbraw/zinc/01/53/49/378015349.db2.gz IRECJDJMHNVUOS-HNNXBMFYSA-N -1 3 270.332 3.107 20 0 CGADHM Cc1cc[nH]c1C(=O)Nc1ccc(Br)cc1[O-] ZINC000577811773 378015437 /nfs/dbraw/zinc/01/54/37/378015437.db2.gz LQXXCABLLXXRDM-UHFFFAOYSA-N -1 3 295.136 3.044 20 0 CGADHM C[C@@H](CC(=O)[O-])N(C)Cc1c(Cl)ccc2cccnc21 ZINC000575883068 377998983 /nfs/dbraw/zinc/99/89/83/377998983.db2.gz HIGWFYGHZBJFFI-JTQLQIEISA-N -1 3 292.766 3.183 20 0 CGADHM O=C([O-])c1ccc(CN2C[C@@H]3CCC[C@@H]3C2)cc1Cl ZINC000578019151 378030238 /nfs/dbraw/zinc/03/02/38/378030238.db2.gz MBKNSPAATAEVHH-TXEJJXNPSA-N -1 3 279.767 3.270 20 0 CGADHM CCC1(C)CN(C(=O)c2c[n-]c3c(C)cc(C)cc3c2=O)C1 ZINC000578061254 378033694 /nfs/dbraw/zinc/03/36/94/378033694.db2.gz DRUBWNZFQYKMNS-UHFFFAOYSA-N -1 3 298.386 3.017 20 0 CGADHM O=C([O-])c1ccc(CN2CCC[C@@H]2c2ccccn2)cc1 ZINC000578598724 378083859 /nfs/dbraw/zinc/08/38/59/378083859.db2.gz XLZHNZGNRHMKSR-MRXNPFEDSA-N -1 3 282.343 3.117 20 0 CGADHM CC/C=C\CCN(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000343566086 378022868 /nfs/dbraw/zinc/02/28/68/378022868.db2.gz YYZHUUSPOCHFDT-PLNGDYQASA-N -1 3 277.393 3.185 20 0 CGADHM CCc1c(C)sc2[n-]c(-c3ccc(C)nn3)nc(=O)c12 ZINC000577941394 378025676 /nfs/dbraw/zinc/02/56/76/378025676.db2.gz CBSQNZDOEHMSIU-UHFFFAOYSA-N -1 3 286.360 3.033 20 0 CGADHM CCC1(CC)[C@H](OC)C[C@@H]1N(C)Cc1ccoc1C(=O)[O-] ZINC000579016424 378122382 /nfs/dbraw/zinc/12/23/82/378122382.db2.gz SBNSHQKRNJWOQC-QWHCGFSZSA-N -1 3 295.379 3.003 20 0 CGADHM Cc1cc(CN(C)[C@@H]2CCc3ccccc32)oc1C(=O)[O-] ZINC000579240149 378143563 /nfs/dbraw/zinc/14/35/63/378143563.db2.gz COKQSDXGEJBLIT-OAHLLOKOSA-N -1 3 285.343 3.406 20 0 CGADHM CCS[C@H]1CC[C@H](N(C)Cc2occc2C(=O)[O-])C1 ZINC000578874710 378108589 /nfs/dbraw/zinc/10/85/89/378108589.db2.gz DDOIAQPBMPYIGM-QWRGUYRKSA-N -1 3 283.393 3.084 20 0 CGADHM COc1cccc2c(C(=O)Nc3cc(C)cc(F)c3)[n-]nc21 ZINC000345290072 378246591 /nfs/dbraw/zinc/24/65/91/378246591.db2.gz XCVZLMKTFIUZBB-UHFFFAOYSA-N -1 3 299.305 3.271 20 0 CGADHM COc1cccc2c(C(=O)Nc3cc(C)cc(F)c3)n[n-]c21 ZINC000345290072 378246598 /nfs/dbraw/zinc/24/65/98/378246598.db2.gz XCVZLMKTFIUZBB-UHFFFAOYSA-N -1 3 299.305 3.271 20 0 CGADHM CC(C)CO[N-]C(=O)Nc1ccc(OCC2CC2)cc1 ZINC000269660981 378249953 /nfs/dbraw/zinc/24/99/53/378249953.db2.gz HFAAOYDZYJPZKC-UHFFFAOYSA-N -1 3 278.352 3.185 20 0 CGADHM COc1c(C)ccc(NC(=O)[N-]OCC(C)C)c1C ZINC000269719299 378258619 /nfs/dbraw/zinc/25/86/19/378258619.db2.gz UTLUOVQJTJCFSN-UHFFFAOYSA-N -1 3 266.341 3.021 20 0 CGADHM CC(C)CON=C([O-])Nc1cc(-c2ccccc2)on1 ZINC000269722067 378259363 /nfs/dbraw/zinc/25/93/63/378259363.db2.gz VHIUMVLLOWJPHX-UHFFFAOYSA-N -1 3 275.308 3.051 20 0 CGADHM CC(C)CO[N-]C(=O)Nc1cc(-c2ccccc2)on1 ZINC000269722067 378259370 /nfs/dbraw/zinc/25/93/70/378259370.db2.gz VHIUMVLLOWJPHX-UHFFFAOYSA-N -1 3 275.308 3.051 20 0 CGADHM Cc1ccc([C@H](C)N(C)Cc2ccc(C(=O)[O-])cn2)cc1 ZINC000582246850 378298025 /nfs/dbraw/zinc/29/80/25/378298025.db2.gz SETJJGKMVNTOSJ-ZDUSSCGKSA-N -1 3 284.359 3.281 20 0 CGADHM CCCO[C@@H]1CCCN(Cc2csc(C(=O)[O-])c2)CC1 ZINC000582425899 378313450 /nfs/dbraw/zinc/31/34/50/378313450.db2.gz STXGDEUOUIGCDA-CYBMUJFWSA-N -1 3 297.420 3.227 20 0 CGADHM CCOc1nc2ccc(C(=O)Nc3ccccc3F)cc2[n-]1 ZINC000345644484 378332999 /nfs/dbraw/zinc/33/29/99/378332999.db2.gz OTVHGXMOQMXDCK-UHFFFAOYSA-N -1 3 299.305 3.353 20 0 CGADHM CCOc1nc2cc(C(=O)Nc3ccccc3F)ccc2[n-]1 ZINC000345644484 378333003 /nfs/dbraw/zinc/33/30/03/378333003.db2.gz OTVHGXMOQMXDCK-UHFFFAOYSA-N -1 3 299.305 3.353 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)/C=C/C2CC2)c1[O-] ZINC000270356403 378339805 /nfs/dbraw/zinc/33/98/05/378339805.db2.gz DWESGFCSUUENNZ-SNAWJCMRSA-N -1 3 251.713 3.259 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2cc(F)cc3cccnc32)n1 ZINC000345919746 378408599 /nfs/dbraw/zinc/40/85/99/378408599.db2.gz CBNRDIJSSMMFOU-UHFFFAOYSA-N -1 3 297.289 3.035 20 0 CGADHM Cc1ccc([O-])c(NC(=O)[C@H](C)Cc2cccc(F)c2)n1 ZINC000345921818 378409396 /nfs/dbraw/zinc/40/93/96/378409396.db2.gz FAPPNWXHXMKUBW-SNVBAGLBSA-N -1 3 288.322 3.052 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2ccc(C(F)(F)F)cc2)n1 ZINC000345938932 378414959 /nfs/dbraw/zinc/41/49/59/378414959.db2.gz XVJSASBKRQOWIQ-UHFFFAOYSA-N -1 3 296.248 3.367 20 0 CGADHM CCCO[C@H]1CCCN(Cc2cc(C(=O)[O-])oc2C)CC1 ZINC000584416230 378381712 /nfs/dbraw/zinc/38/17/12/378381712.db2.gz SPAHFKKSMHMIPA-AWEZNQCLSA-N -1 3 295.379 3.067 20 0 CGADHM COc1cc(CN2CCC[C@@](C)(C(=O)[O-])C2)ccc1Cl ZINC000584474802 378387933 /nfs/dbraw/zinc/38/79/33/378387933.db2.gz HTAMAWFFUAFERB-OAHLLOKOSA-N -1 3 297.782 3.035 20 0 CGADHM COc1cc(C(=O)Nc2nc(C)ccc2[O-])ccc1Cl ZINC000345993159 378432964 /nfs/dbraw/zinc/43/29/64/378432964.db2.gz RKUIYLMKFPHCLG-UHFFFAOYSA-N -1 3 292.722 3.010 20 0 CGADHM Cc1ccc([O-])c(CN2CCc3sccc3[C@@H]2C)n1 ZINC000271043945 378436179 /nfs/dbraw/zinc/43/61/79/378436179.db2.gz PVILKUAPSQARDF-NSHDSACASA-N -1 3 274.389 3.276 20 0 CGADHM CCCOc1cccc(NC([O-])=NOC2CCCC2)c1 ZINC000271809494 378506122 /nfs/dbraw/zinc/50/61/22/378506122.db2.gz OCXPZIJEPVYRTB-UHFFFAOYSA-N -1 3 278.352 3.471 20 0 CGADHM CCCOc1cccc(NC(=O)[N-]OC2CCCC2)c1 ZINC000271809494 378506131 /nfs/dbraw/zinc/50/61/31/378506131.db2.gz OCXPZIJEPVYRTB-UHFFFAOYSA-N -1 3 278.352 3.471 20 0 CGADHM CCc1ccc(CN(C)[C@H](C)c2nc(C)cc(=O)[n-]2)cc1 ZINC000346506673 378598700 /nfs/dbraw/zinc/59/87/00/378598700.db2.gz PKUPYKYEBDGMKY-CYBMUJFWSA-N -1 3 285.391 3.246 20 0 CGADHM Cc1cccc([O-])c1NC(=O)c1ccnc(OC(C)C)c1 ZINC000272537153 378661882 /nfs/dbraw/zinc/66/18/82/378661882.db2.gz RKWOPVPPIDTXJD-UHFFFAOYSA-N -1 3 286.331 3.135 20 0 CGADHM Cc1cc(C(=O)NCCCOC2CCCCC2)ccc1[O-] ZINC000272588956 378671990 /nfs/dbraw/zinc/67/19/90/378671990.db2.gz NQMSMQJHDLPPSJ-UHFFFAOYSA-N -1 3 291.391 3.170 20 0 CGADHM Cc1cccc([O-])c1NC(=O)C=C(C1CC1)C1CC1 ZINC000272469838 378645098 /nfs/dbraw/zinc/64/50/98/378645098.db2.gz LDIKYVIHLZMSFC-UHFFFAOYSA-N -1 3 257.333 3.386 20 0 CGADHM COc1cc(-c2noc([C@H]3CCCCS3)n2)ccc1[O-] ZINC000272873535 378714924 /nfs/dbraw/zinc/71/49/24/378714924.db2.gz WADDNERGJBCHNU-GFCCVEGCSA-N -1 3 292.360 3.409 20 0 CGADHM CC[C@H](NCc1cnc(C)[n-]c1=O)c1cccc(Cl)c1 ZINC000346795620 218014763 /nfs/dbraw/zinc/01/47/63/218014763.db2.gz NBEYUSUFERJADP-AWEZNQCLSA-N -1 3 291.782 3.385 20 0 CGADHM CSc1ccc([C@H](C)NCc2cnc(C)[n-]c2=O)cc1 ZINC000346802900 218019697 /nfs/dbraw/zinc/01/96/97/218019697.db2.gz DUENNONRZJJSBS-JTQLQIEISA-N -1 3 289.404 3.063 20 0 CGADHM Cc1c2ccccc2oc1[C@H](C)NCc1cnc(C)[n-]c1=O ZINC000346810506 218022560 /nfs/dbraw/zinc/02/25/60/218022560.db2.gz RMKPATVLZSHXGW-NSHDSACASA-N -1 3 297.358 3.396 20 0 CGADHM Cc1ccc([O-])c(CN2C[C@@H](C)CN(C)c3ccccc32)n1 ZINC000348286315 378885704 /nfs/dbraw/zinc/88/57/04/378885704.db2.gz YXCXHXSFBYLHPF-ZDUSSCGKSA-N -1 3 297.402 3.188 20 0 CGADHM [O-]c1cccnc1CNCc1cccc(-c2cccnc2)c1 ZINC000348262525 378872144 /nfs/dbraw/zinc/87/21/44/378872144.db2.gz OXVOYVZDZNKNCZ-UHFFFAOYSA-N -1 3 291.354 3.139 20 0 CGADHM CCc1noc(C)c1[N-]C(=O)c1ccc(C(C)=O)cc1F ZINC000347033347 218097805 /nfs/dbraw/zinc/09/78/05/218097805.db2.gz NEJJMPWQMOGKSL-UHFFFAOYSA-N -1 3 290.294 3.139 20 0 CGADHM C[C@@H](CCC(C)(C)C)C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000348578133 378997596 /nfs/dbraw/zinc/99/75/96/378997596.db2.gz SHCFQZVVCBZKEA-ZETCQYMHSA-N -1 3 292.305 3.224 20 0 CGADHM C[C@@H](CCC(C)(C)C)C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000348578133 378997603 /nfs/dbraw/zinc/99/76/03/378997603.db2.gz SHCFQZVVCBZKEA-ZETCQYMHSA-N -1 3 292.305 3.224 20 0 CGADHM COC1(CC(=O)Nc2cc(Cl)cc(C)c2[O-])CCC1 ZINC000276791212 378998044 /nfs/dbraw/zinc/99/80/44/378998044.db2.gz JMNMDJBLYVTLSZ-UHFFFAOYSA-N -1 3 283.755 3.252 20 0 CGADHM O=S(=O)([N-]Cc1ccc(C2CCC2)cc1)c1ccco1 ZINC000276912143 379019842 /nfs/dbraw/zinc/01/98/42/379019842.db2.gz JJXLJIDPTMJAAL-UHFFFAOYSA-N -1 3 291.372 3.026 20 0 CGADHM COC(=O)c1cc(C(=O)Nc2ccc3occ(C)c3c2)c[n-]1 ZINC000347259940 218172095 /nfs/dbraw/zinc/17/20/95/218172095.db2.gz XIHABSLKDWDBSF-UHFFFAOYSA-N -1 3 298.298 3.108 20 0 CGADHM C[C@H](CCCNCc1ccc(F)cc1Cl)C(=O)[O-] ZINC000277207735 379096927 /nfs/dbraw/zinc/09/69/27/379096927.db2.gz GYRFIAXCEZEJOR-SECBINFHSA-N -1 3 273.735 3.070 20 0 CGADHM CCOc1cc(CNCc2conc2C)cc(Cl)c1[O-] ZINC000639226965 379164680 /nfs/dbraw/zinc/16/46/80/379164680.db2.gz IEUPZFNGVFONFO-UHFFFAOYSA-N -1 3 296.754 3.031 20 0 CGADHM CCCc1cccc(CN[C@@H](C(=O)[O-])c2ccc(O)cc2)c1 ZINC000277547308 379184477 /nfs/dbraw/zinc/18/44/77/379184477.db2.gz ZZLCCIQJGSTYIL-QGZVFWFLSA-N -1 3 299.370 3.260 20 0 CGADHM CCOc1cc(-c2noc([C@H](C)CC)n2)ccc1[O-] ZINC000277761590 379230662 /nfs/dbraw/zinc/23/06/62/379230662.db2.gz BPRAERONYIVIOQ-SECBINFHSA-N -1 3 262.309 3.354 20 0 CGADHM [O-]c1cc(F)cc(CN2CCC[C@H]2c2nccs2)c1 ZINC000373489588 379287775 /nfs/dbraw/zinc/28/77/75/379287775.db2.gz MDPXWSRTRQXOEI-ZDUSSCGKSA-N -1 3 278.352 3.325 20 0 CGADHM CC[C@@](C)(CNCc1ccc(F)cc1Cl)C(=O)[O-] ZINC000277849829 379251092 /nfs/dbraw/zinc/25/10/92/379251092.db2.gz ABHWKGZXNMKOEZ-ZDUSSCGKSA-N -1 3 273.735 3.070 20 0 CGADHM CCOc1cc(-c2noc(C3(C)CCC3)n2)ccc1[O-] ZINC000278181647 379309989 /nfs/dbraw/zinc/30/99/89/379309989.db2.gz XCNVSFDKNCDXKA-UHFFFAOYSA-N -1 3 274.320 3.283 20 0 CGADHM CCO[C@H](CNC(=O)c1ccc([O-])c(C)c1)c1ccccc1 ZINC000278409123 379377692 /nfs/dbraw/zinc/37/76/92/379377692.db2.gz RVRZKBBEQAYRRQ-QGZVFWFLSA-N -1 3 299.370 3.208 20 0 CGADHM c1ccc([C@H]([N-]c2nnc(C3CC3)o2)[C@H]2CCCO2)cc1 ZINC000278465053 379397033 /nfs/dbraw/zinc/39/70/33/379397033.db2.gz TUYJEOFNEHDSFN-KGLIPLIRSA-N -1 3 285.347 3.279 20 0 CGADHM Cc1ccc2c(c1)C(=O)N(C)[C@H](c1ccc([O-])cc1F)N2 ZINC000639418497 379369973 /nfs/dbraw/zinc/36/99/73/379369973.db2.gz WMRDSALMZDXUPG-OAHLLOKOSA-N -1 3 286.306 3.036 20 0 CGADHM CC(=O)c1cc(F)c([N-]C(=O)c2cc(C)sn2)c(F)c1 ZINC000334577868 206747699 /nfs/dbraw/zinc/74/76/99/206747699.db2.gz BKFFKJDBTSTBSU-UHFFFAOYSA-N -1 3 296.298 3.185 20 0 CGADHM O=C([N-]C1(c2ccc(F)cc2F)CCCC1)C(F)F ZINC000279770588 379511594 /nfs/dbraw/zinc/51/15/94/379511594.db2.gz FZRNCAUPAIDOIQ-UHFFFAOYSA-N -1 3 275.245 3.115 20 0 CGADHM CCOc1cc(-c2noc(-c3cccc(C)n3)n2)ccc1[O-] ZINC000350790978 379582640 /nfs/dbraw/zinc/58/26/40/379582640.db2.gz HGZKTZQDCZCACG-UHFFFAOYSA-N -1 3 297.314 3.211 20 0 CGADHM C[C@H]1CN(Cc2nc(=O)c3sccc3[n-]2)C(C)(C)C1 ZINC000266909779 190289858 /nfs/dbraw/zinc/28/98/58/190289858.db2.gz COFYHKODWDYCEF-SECBINFHSA-N -1 3 277.393 3.017 20 0 CGADHM CC(=O)Nc1ccc(-c2noc(-c3ccccc3[O-])n2)cc1 ZINC000350575445 379563789 /nfs/dbraw/zinc/56/37/89/379563789.db2.gz GIVHAHLLUHMHTC-UHFFFAOYSA-N -1 3 295.298 3.068 20 0 CGADHM Cc1ccc([O-])c(-c2nc(-c3cnc4ccccn43)no2)c1 ZINC000350887628 379604963 /nfs/dbraw/zinc/60/49/63/379604963.db2.gz CSQPKXAJZWSKMI-UHFFFAOYSA-N -1 3 292.298 3.065 20 0 CGADHM CC[C@@H](OC)C(=O)Nc1cc(Cc2ccccc2)ccc1[O-] ZINC000267248594 190314668 /nfs/dbraw/zinc/31/46/68/190314668.db2.gz UJGWMVYVBHRCNL-QGZVFWFLSA-N -1 3 299.370 3.347 20 0 CGADHM C[C@H](Cc1ccc(C(F)(F)F)cc1)[N-]C(=O)C(F)F ZINC000279016028 194250652 /nfs/dbraw/zinc/25/06/52/194250652.db2.gz MEIDVWUNAPAXAD-SSDOTTSWSA-N -1 3 281.224 3.018 20 0 CGADHM CCN(Cc1ccccn1)Cc1c(F)ccc([O-])c1F ZINC000280706717 379769292 /nfs/dbraw/zinc/76/92/92/379769292.db2.gz AXTCGDAFSQWLEM-UHFFFAOYSA-N -1 3 278.302 3.088 20 0 CGADHM CSc1ccc(NCc2c(F)ccc([O-])c2F)nc1 ZINC000352683883 379907178 /nfs/dbraw/zinc/90/71/78/379907178.db2.gz WBQFECVDDMLYSE-UHFFFAOYSA-N -1 3 282.315 3.399 20 0 CGADHM CC(C)O[C@@H]1C[C@@H](NCc2c(F)ccc([O-])c2F)C1(C)C ZINC000352923156 380040019 /nfs/dbraw/zinc/04/00/19/380040019.db2.gz GRWNMRBTRDGLBM-ZIAGYGMSSA-N -1 3 299.361 3.352 20 0 CGADHM CCOc1c(Cl)cccc1CN(C)CCCC(=O)[O-] ZINC000414633928 380347132 /nfs/dbraw/zinc/34/71/32/380347132.db2.gz ADOKDVAQJPYLJZ-UHFFFAOYSA-N -1 3 285.771 3.035 20 0 CGADHM O=C([O-])[C@H](CC1CC1)NCc1cc(Cl)ccc1Cl ZINC000417607100 380648017 /nfs/dbraw/zinc/64/80/17/380648017.db2.gz LNPDQINPDUHIAU-LBPRGKRZSA-N -1 3 288.174 3.336 20 0 CGADHM CCC[C@@H](C)C[C@@H](NCc1cc(F)ccc1OC)C(=O)[O-] ZINC000417559142 380638390 /nfs/dbraw/zinc/63/83/90/380638390.db2.gz HLKLDPVQTYSSEN-BXUZGUMPSA-N -1 3 297.370 3.203 20 0 CGADHM Cc1ncsc1CN[C@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000417570348 380642107 /nfs/dbraw/zinc/64/21/07/380642107.db2.gz WGAFRPAIDPJCDX-HZMBPMFUSA-N -1 3 290.388 3.003 20 0 CGADHM C[C@@H](NCc1cccc(Cl)c1Cl)[C@@H](C)C(=O)[O-] ZINC000417596596 380647095 /nfs/dbraw/zinc/64/70/95/380647095.db2.gz AKBWAPYXYWFBBL-HTQZYQBOSA-N -1 3 276.163 3.192 20 0 CGADHM O=C([O-])CC[C@H](NCc1ccsc1)c1ccccc1 ZINC000417605534 380648982 /nfs/dbraw/zinc/64/89/82/380648982.db2.gz YMZQINBYYRHPHQ-AWEZNQCLSA-N -1 3 275.373 3.444 20 0 CGADHM COc1ccc(CN[C@H]2C[C@H](C(=O)[O-])c3ccccc32)cc1 ZINC000417613101 380650134 /nfs/dbraw/zinc/65/01/34/380650134.db2.gz CLOVXDFFPFPKLR-IRXDYDNUSA-N -1 3 297.354 3.098 20 0 CGADHM O=C([O-])C1(CNCc2cc(Cl)sc2Cl)CCC1 ZINC000417626462 380656535 /nfs/dbraw/zinc/65/65/35/380656535.db2.gz SPSLKZROPPHEAA-UHFFFAOYSA-N -1 3 294.203 3.399 20 0 CGADHM CSc1ccncc1NC(=O)c1cc([O-])ccc1Cl ZINC000645719989 380716814 /nfs/dbraw/zinc/71/68/14/380716814.db2.gz CWFGCNNHXILLII-UHFFFAOYSA-N -1 3 294.763 3.415 20 0 CGADHM CC[C@@H]1CN(Cc2c(F)ccc([O-])c2F)C[C@H](CC)O1 ZINC000421386654 380933095 /nfs/dbraw/zinc/93/30/95/380933095.db2.gz HXNXYWXVMYMKDP-PHIMTYICSA-N -1 3 285.334 3.060 20 0 CGADHM O=C(N[C@@H]1CC[C@@H]2CCC[C@H]2C1)c1cccc([O-])c1 ZINC000357377208 381133688 /nfs/dbraw/zinc/13/36/88/381133688.db2.gz ROFWONMPXFLMDU-SGMGOOAPSA-N -1 3 259.349 3.091 20 0 CGADHM CC(C)(C)CCCCC(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000357487342 381177886 /nfs/dbraw/zinc/17/78/86/381177886.db2.gz YYJFFCBEFJBKAJ-ZDUSSCGKSA-N -1 3 293.411 3.228 20 0 CGADHM Cc1ccc(C(=O)N(C)CCOc2ccccc2C)c([O-])c1 ZINC000198563226 542282571 /nfs/dbraw/zinc/28/25/71/542282571.db2.gz KFEVRYRJHTYQQJ-UHFFFAOYSA-N -1 3 299.370 3.160 20 0 CGADHM CC[C@@H]1CN(Cc2nc(C)ccc2[O-])c2ccccc2O1 ZINC000362093724 381882178 /nfs/dbraw/zinc/88/21/78/381882178.db2.gz FTLKRRXLQLMXKZ-CYBMUJFWSA-N -1 3 284.359 3.273 20 0 CGADHM [O-]c1cccc(CN2CCC[C@@H]([C@@H]3CCOC3)C2)c1Cl ZINC000334931484 207312007 /nfs/dbraw/zinc/31/20/07/207312007.db2.gz YUFMTTIOPJFSMK-TZMCWYRMSA-N -1 3 295.810 3.294 20 0 CGADHM CCCN(CC(F)(F)F)C(=O)c1cc([O-])ccc1Cl ZINC000233046013 542307310 /nfs/dbraw/zinc/30/73/10/542307310.db2.gz WOZJJXWTXSIOGD-UHFFFAOYSA-N -1 3 295.688 3.460 20 0 CGADHM COc1ccccc1[C@@H](NCc1cc(C)ccc1C)C(=O)[O-] ZINC000426819159 532981418 /nfs/dbraw/zinc/98/14/18/532981418.db2.gz USRQNIZMCSRJMC-QGZVFWFLSA-N -1 3 299.370 3.228 20 0 CGADHM [O-]c1ccc(-c2noc([C@@H]3CCC[C@@H](F)C3)n2)cc1 ZINC000335279148 208090392 /nfs/dbraw/zinc/09/03/92/208090392.db2.gz YAKMJGNTFZHYQD-GHMZBOCLSA-N -1 3 262.284 3.438 20 0 CGADHM O=C(c1csc(=O)[n-]1)N1CCC[C@H]1CC1CCCCC1 ZINC000335298812 208134778 /nfs/dbraw/zinc/13/47/78/208134778.db2.gz VPJHTHLIDXYZNA-LBPRGKRZSA-N -1 3 294.420 3.424 20 0 CGADHM CN(C[C@H]1CCCOC1)C(=O)c1cc([O-])c2ccccc2c1 ZINC000281064028 542382721 /nfs/dbraw/zinc/38/27/21/542382721.db2.gz ZGXKMZPHACWUCZ-CYBMUJFWSA-N -1 3 299.370 3.044 20 0 CGADHM CCN(C(=O)c1cc([O-])c2ccccc2c1)C1CC1 ZINC000280877363 542382645 /nfs/dbraw/zinc/38/26/45/542382645.db2.gz RPASINORTXBIMY-UHFFFAOYSA-N -1 3 255.317 3.170 20 0 CGADHM C[C@@H]1C[C@H](CNC(=O)c2cc([O-])c3ccccc3c2)CCO1 ZINC000281536773 542384674 /nfs/dbraw/zinc/38/46/74/542384674.db2.gz KGVJLIPGWHLODV-CHWSQXEVSA-N -1 3 299.370 3.090 20 0 CGADHM CCOc1cc(-c2noc([C@](C)(CC)OC)n2)ccc1[O-] ZINC000288967859 197202451 /nfs/dbraw/zinc/20/24/51/197202451.db2.gz BMVMJANWVZVRLV-HNNXBMFYSA-N -1 3 292.335 3.113 20 0 CGADHM CCc1cccc(C(=O)N(CC2CC2)C(C)C)c1[O-] ZINC000539846456 288634793 /nfs/dbraw/zinc/63/47/93/288634793.db2.gz CHOZFBSKZIASFH-UHFFFAOYSA-N -1 3 261.365 3.215 20 0 CGADHM O=C(c1cc([O-])c2ccccc2c1)N1CCC[C@H]1CF ZINC000294084814 542404434 /nfs/dbraw/zinc/40/44/34/542404434.db2.gz NMRAFXJJCZEQTC-ZDUSSCGKSA-N -1 3 273.307 3.120 20 0 CGADHM COc1ccc(NC(=O)c2csc(C)c2C)c([O-])c1 ZINC000335730451 542471513 /nfs/dbraw/zinc/47/15/13/542471513.db2.gz XELPUYJFPVBJRS-UHFFFAOYSA-N -1 3 277.345 3.331 20 0 CGADHM CCC[C@H](CC1CCCC1)C(=O)[N-]C1=NCCS1 ZINC000733213328 572543623 /nfs/dbraw/zinc/54/36/23/572543623.db2.gz HGSODWDHAUVGCJ-GFCCVEGCSA-N -1 3 268.426 3.202 20 0 CGADHM Cc1cc(C(=O)N(C)C2CCCCCC2)ccc1[O-] ZINC000226953828 262352709 /nfs/dbraw/zinc/35/27/09/262352709.db2.gz FWAJVZWKHZGUFC-UHFFFAOYSA-N -1 3 261.365 3.495 20 0 CGADHM COc1cccc(C(=O)N(C)Cc2cc(C)ccc2C)c1[O-] ZINC000436843576 533394012 /nfs/dbraw/zinc/39/40/12/533394012.db2.gz ITZTVXHSQIVAPB-UHFFFAOYSA-N -1 3 299.370 3.290 20 0 CGADHM COc1cc(C(=O)NC[C@@H]2CCC[C@@H](C)[C@H]2C)ccc1[O-] ZINC000435931721 533538367 /nfs/dbraw/zinc/53/83/67/533538367.db2.gz ZGXWZLWYLNVSIZ-BZPMIXESSA-N -1 3 291.391 3.203 20 0 CGADHM COc1ccc(CNCCCC(C)(C)C(=O)[O-])c(Cl)c1 ZINC000426641771 533660920 /nfs/dbraw/zinc/66/09/20/533660920.db2.gz BMEPTWIOIRRSPD-UHFFFAOYSA-N -1 3 299.798 3.329 20 0 CGADHM CC[C@@H](c1ccc(F)cc1F)N1CCC[C@H](C(=O)[O-])C1 ZINC000003763336 391919327 /nfs/dbraw/zinc/91/93/27/391919327.db2.gz BEOHDLXDHYERSP-HZMBPMFUSA-N -1 3 283.318 3.213 20 0 CGADHM CCN(C(=O)c1cc(OC)ccc1[O-])c1ccccc1 ZINC000051770673 392074506 /nfs/dbraw/zinc/07/45/06/392074506.db2.gz ZFJSHCSZHMQLBX-UHFFFAOYSA-N -1 3 271.316 3.068 20 0 CGADHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C1CCCCC1 ZINC000052341900 392078617 /nfs/dbraw/zinc/07/86/17/392078617.db2.gz JNXGTGBFWLMVCO-NSHDSACASA-N -1 3 285.384 3.073 20 0 CGADHM CCO[C@@H](C(=O)Nc1ccccc1[O-])c1ccccc1 ZINC000049037692 392031455 /nfs/dbraw/zinc/03/14/55/392031455.db2.gz SUWPSFIQAOYAGA-OAHLLOKOSA-N -1 3 271.316 3.109 20 0 CGADHM Cc1ccc(C(=O)NCCc2ccc(Cl)s2)c([O-])c1 ZINC000049348999 392043933 /nfs/dbraw/zinc/04/39/33/392043933.db2.gz VRUJITKNQAJNML-UHFFFAOYSA-N -1 3 295.791 3.388 20 0 CGADHM CC[C@H](C)[C@@H](C)N(C(=O)c1ccc(O)cc1[O-])C1CC1 ZINC000105380734 392288237 /nfs/dbraw/zinc/28/82/37/392288237.db2.gz PSTIHJMCELLCLL-WDEREUQCSA-N -1 3 277.364 3.137 20 0 CGADHM CCCc1nc(C[S@@](=O)c2ccc([O-])cc2)cs1 ZINC000108087002 392335608 /nfs/dbraw/zinc/33/56/08/392335608.db2.gz KVDNSNRGUQZZLS-SFHVURJKSA-N -1 3 281.402 3.109 20 0 CGADHM COc1ccc(NC(=O)c2cc(C)ccc2C)c([O-])c1 ZINC000443555408 542667299 /nfs/dbraw/zinc/66/72/99/542667299.db2.gz CKPZQVCEKLTDOB-UHFFFAOYSA-N -1 3 271.316 3.270 20 0 CGADHM COc1ccc(NC(=O)CCc2ccccc2C)c([O-])c1 ZINC000443566334 542666772 /nfs/dbraw/zinc/66/67/72/542666772.db2.gz LRQSGRWCZYJCPG-UHFFFAOYSA-N -1 3 285.343 3.281 20 0 CGADHM COc1ccc(NC(=O)c2ccc(C)nc2C2CC2)c([O-])c1 ZINC000456023211 542687455 /nfs/dbraw/zinc/68/74/55/542687455.db2.gz JZTYBDQKGYZBHA-UHFFFAOYSA-N -1 3 298.342 3.234 20 0 CGADHM CO[C@H]([C@H](C)NC(=O)c1cc([O-])c2ccccc2c1)C1CC1 ZINC000456542572 542688796 /nfs/dbraw/zinc/68/87/96/542688796.db2.gz DGFGBICHNNVSIJ-APPDUMDISA-N -1 3 299.370 3.089 20 0 CGADHM CCC[C@H]1[C@H](C)CCCN1C(=O)c1ccc(O)cc1[O-] ZINC000175290839 392650220 /nfs/dbraw/zinc/65/02/20/392650220.db2.gz DCLVVRMNWCUDPF-RISCZKNCSA-N -1 3 277.364 3.139 20 0 CGADHM CC(C)c1cccc(CC(=O)Nc2ncccc2[O-])c1 ZINC000457707272 392742333 /nfs/dbraw/zinc/74/23/33/392742333.db2.gz IWRCJXJGZGYWAN-UHFFFAOYSA-N -1 3 270.332 3.092 20 0 CGADHM [O-]c1cc(F)cc(CN2CCOC[C@H]2c2ccccc2)c1 ZINC000375230401 392750801 /nfs/dbraw/zinc/75/08/01/392750801.db2.gz TVBLCKWITMHLBU-KRWDZBQOSA-N -1 3 287.334 3.105 20 0 CGADHM CC[C@@H]1C[C@H](NC(=O)c2cc([O-])c3ccccc3c2)CCO1 ZINC000335070126 392769401 /nfs/dbraw/zinc/76/94/01/392769401.db2.gz UDGFUJDLTSLUQI-HUUCEWRRSA-N -1 3 299.370 3.233 20 0 CGADHM C[C@H]1CCCC[C@H]1OCCNCc1c(F)ccc([O-])c1F ZINC000509917067 392776450 /nfs/dbraw/zinc/77/64/50/392776450.db2.gz YANVHDWHBXMYNA-XHDPSFHLSA-N -1 3 299.361 3.355 20 0 CGADHM Cc1ccc(CCNCc2c(F)ccc([O-])c2F)cc1 ZINC000511079497 392826211 /nfs/dbraw/zinc/82/62/11/392826211.db2.gz FQHXYONXTTXIAD-UHFFFAOYSA-N -1 3 277.314 3.311 20 0 CGADHM C[C@H](CN1CC[C@@H](C)[C@H](C(=O)[O-])C1)c1cc(F)cc(F)c1 ZINC000519706927 392885263 /nfs/dbraw/zinc/88/52/63/392885263.db2.gz AUIGSYKMOYUBHQ-UEKVPHQBSA-N -1 3 297.345 3.111 20 0 CGADHM Cc1cccc(-c2nc(CC3CCCC3)no2)c1[O-] ZINC000379106951 392900788 /nfs/dbraw/zinc/90/07/88/392900788.db2.gz RQINPWGBARBEFX-UHFFFAOYSA-N -1 3 258.321 3.483 20 0 CGADHM COc1ccc(NC(=O)[C@@H]2CC23CCCCC3)c([O-])c1 ZINC000525960994 542740691 /nfs/dbraw/zinc/74/06/91/542740691.db2.gz VMOCXYUSQVYUQH-LBPRGKRZSA-N -1 3 275.348 3.310 20 0 CGADHM O=c1cc(C2CC2)nc(SCCCN2CCCCC2)[n-]1 ZINC000195079338 392956157 /nfs/dbraw/zinc/95/61/57/392956157.db2.gz AYRWQTZOLFNASS-UHFFFAOYSA-N -1 3 293.436 3.028 20 0 CGADHM CCC(CC)CC(=O)Nc1n[n-]c(-c2ccccc2F)n1 ZINC000468884756 393166397 /nfs/dbraw/zinc/16/63/97/393166397.db2.gz JMNYNDLFGBQEEC-UHFFFAOYSA-N -1 3 290.342 3.376 20 0 CGADHM C[C@H]1C[C@H](C)CN(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000468551636 393151174 /nfs/dbraw/zinc/15/11/74/393151174.db2.gz DRFALOHTUXATEL-STQMWFEESA-N -1 3 293.382 3.359 20 0 CGADHM CCc1ccc([O-])c(C(=O)N[C@@H](C)CC(F)(F)F)c1 ZINC000468633960 393157140 /nfs/dbraw/zinc/15/71/40/393157140.db2.gz YEOGZSDAGXJDHN-QMMMGPOBSA-N -1 3 275.270 3.025 20 0 CGADHM CO[C@H]1CCCN(Cc2cccc([O-])c2Cl)CC1 ZINC000646157605 393232427 /nfs/dbraw/zinc/23/24/27/393232427.db2.gz HFDSJJPRIQWFBA-LBPRGKRZSA-N -1 3 269.772 3.047 20 0 CGADHM Cc1ccc(C(=O)N2CCC[C@H]2c2ccncc2)c([O-])c1C ZINC000271194436 393246568 /nfs/dbraw/zinc/24/65/68/393246568.db2.gz HAAWUEQXXVNLNN-INIZCTEOSA-N -1 3 296.370 3.381 20 0 CGADHM Cc1ccc(C(=O)NC[C@@H](C)CC(F)F)c([O-])c1C ZINC000648961386 393299888 /nfs/dbraw/zinc/29/98/88/393299888.db2.gz BJOMWDRELMZCCN-QMMMGPOBSA-N -1 3 271.307 3.030 20 0 CGADHM CC(C)(CNCc1c(Cl)cccc1Cl)C(=O)[O-] ZINC000276990072 393302701 /nfs/dbraw/zinc/30/27/01/393302701.db2.gz JRBNHSJOYQVYGH-UHFFFAOYSA-N -1 3 276.163 3.194 20 0 CGADHM CC(C)c1ccc(C(=O)N2CCSC[C@H](C)C2)c([O-])c1 ZINC000277633719 393313461 /nfs/dbraw/zinc/31/34/61/393313461.db2.gz WMNOCCAJRAZKBI-GFCCVEGCSA-N -1 3 293.432 3.341 20 0 CGADHM O=C(N[C@H](C1CCC1)C1CCCC1)c1ccc2n[n-]nc2c1 ZINC000649007082 393316590 /nfs/dbraw/zinc/31/65/90/393316590.db2.gz YOGZDNWIBZVJNW-INIZCTEOSA-N -1 3 298.390 3.047 20 0 CGADHM CC1(CNC(=O)c2cc([O-])cc(C(F)(F)F)c2)CCC1 ZINC000646899095 393328846 /nfs/dbraw/zinc/32/88/46/393328846.db2.gz QHQLHXSSRXWMHT-UHFFFAOYSA-N -1 3 287.281 3.331 20 0 CGADHM CC(C)c1ccc(C(=O)N2CCC=C(F)C2)c([O-])c1 ZINC000273043664 393268591 /nfs/dbraw/zinc/26/85/91/393268591.db2.gz GNGSYUUXSLPEJA-UHFFFAOYSA-N -1 3 263.312 3.215 20 0 CGADHM Cc1ccc([O-])c(CNC2(c3ccccc3F)CCC2)n1 ZINC000647237340 393404298 /nfs/dbraw/zinc/40/42/98/393404298.db2.gz SNUMGTMFIUPPSK-UHFFFAOYSA-N -1 3 286.350 3.404 20 0 CGADHM [O-]c1cc2ccccc2cc1-c1nc([C@H]2CCCN2)no1 ZINC000647146940 393350321 /nfs/dbraw/zinc/35/03/21/393350321.db2.gz GAXHRBVRGPZOKU-CYBMUJFWSA-N -1 3 281.315 3.020 20 0 CGADHM Cc1cc(Cl)nc(C[N-]c2nc(C(C)C)no2)c1 ZINC000281913141 393368580 /nfs/dbraw/zinc/36/85/80/393368580.db2.gz NLTAXVGSXVCGJV-UHFFFAOYSA-N -1 3 266.732 3.162 20 0 CGADHM CCC[C@@H]1CCC[C@@H]1C(=O)N=c1[nH][n-]c(C(C)C)c1C ZINC000649229046 393376315 /nfs/dbraw/zinc/37/63/15/393376315.db2.gz KPQVILZYCRWXKN-OLZOCXBDSA-N -1 3 277.412 3.418 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC000649228640 393376371 /nfs/dbraw/zinc/37/63/71/393376371.db2.gz XGZHYIXIZXTRGT-NWDGAFQWSA-N -1 3 277.412 3.274 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@@H](C)CC(C)(C)C ZINC000649229651 393377763 /nfs/dbraw/zinc/37/77/63/393377763.db2.gz HWCCFECHLYRIJF-JTQLQIEISA-N -1 3 265.401 3.274 20 0 CGADHM CCC(CC)(CC)C(=O)N=c1[nH][n-]c(C(C)C)c1C ZINC000649231036 393379363 /nfs/dbraw/zinc/37/93/63/393379363.db2.gz FCKQYKRUOSBPCH-UHFFFAOYSA-N -1 3 265.401 3.418 20 0 CGADHM CSC1(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)CC1 ZINC000356395965 393435174 /nfs/dbraw/zinc/43/51/74/393435174.db2.gz OMAFYNAOTPVALE-UHFFFAOYSA-N -1 3 291.294 3.245 20 0 CGADHM O=C([O-])[C@H](NCc1cccc2c1CCC2)c1cccc(F)c1 ZINC000649505290 393460184 /nfs/dbraw/zinc/46/01/84/393460184.db2.gz CUMDRZNYMVCGFR-QGZVFWFLSA-N -1 3 299.345 3.230 20 0 CGADHM CCCn1c(=O)[n-]nc1SCCC1CCCC1 ZINC000356537260 393476604 /nfs/dbraw/zinc/47/66/04/393476604.db2.gz SEYMXZPUCPSGMZ-UHFFFAOYSA-N -1 3 255.387 3.066 20 0 CGADHM CCc1ccccc1S(=O)(=O)[N-]c1ccc(F)c(C)c1 ZINC000488286331 393479535 /nfs/dbraw/zinc/47/95/35/393479535.db2.gz OSRVMYMHSUXSQA-UHFFFAOYSA-N -1 3 293.363 3.497 20 0 CGADHM COc1c2ccccc2oc1CNC(=O)c1cccc([O-])c1 ZINC000356612628 393498198 /nfs/dbraw/zinc/49/81/98/393498198.db2.gz BMZBEMMKWTYCMP-UHFFFAOYSA-N -1 3 297.310 3.077 20 0 CGADHM COc1cc(C(=O)N2C[C@H](C)CCC[C@H]2C)ccc1[O-] ZINC000357607405 393512329 /nfs/dbraw/zinc/51/23/29/393512329.db2.gz VWDGLTUVJCFMRW-VXGBXAGGSA-N -1 3 277.364 3.052 20 0 CGADHM CCCC(C)(C)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000488643225 393545180 /nfs/dbraw/zinc/54/51/80/393545180.db2.gz IYNKZVSXOJXJPO-UHFFFAOYSA-N -1 3 293.791 3.336 20 0 CGADHM CC(C)(C)CC[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000488857314 393558883 /nfs/dbraw/zinc/55/88/83/393558883.db2.gz SAACSGIKTKEWEW-UHFFFAOYSA-N -1 3 293.791 3.194 20 0 CGADHM CC[C@H](C)C[C@@H](C)[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000360876929 393603779 /nfs/dbraw/zinc/60/37/79/393603779.db2.gz DFWMPLLMUSDPNF-VHSXEESVSA-N -1 3 291.363 3.068 20 0 CGADHM COC(=O)c1cnc(SC[C@@H]2CCc3ccccc32)[n-]1 ZINC000432673910 393626836 /nfs/dbraw/zinc/62/68/36/393626836.db2.gz YJGIHMCLPSFSMD-NSHDSACASA-N -1 3 288.372 3.018 20 0 CGADHM Cc1nn(C)c2cc(NCc3cc([O-])cc(F)c3)ccc12 ZINC000361079802 393667536 /nfs/dbraw/zinc/66/75/36/393667536.db2.gz KSLAOHQIJRRQOW-UHFFFAOYSA-N -1 3 285.322 3.339 20 0 CGADHM Cc1ccncc1/C=C/C(=O)Nc1cc(Cl)ccc1[O-] ZINC000492527752 393748863 /nfs/dbraw/zinc/74/88/63/393748863.db2.gz CAZHKIUWBFMDDX-GORDUTHDSA-N -1 3 288.734 3.401 20 0 CGADHM Cc1ccc(/C=C\C(=O)Nc2cc(Cl)ccc2[O-])nc1 ZINC000492538189 393751156 /nfs/dbraw/zinc/75/11/56/393751156.db2.gz OVOUTXYNVRNBKV-ALCCZGGFSA-N -1 3 288.734 3.401 20 0 CGADHM Cc1ccc([O-])c(-c2nc(-c3ccc4cc[nH]c4n3)no2)c1 ZINC000445583274 393808243 /nfs/dbraw/zinc/80/82/43/393808243.db2.gz IMOIILRPRWFDDL-UHFFFAOYSA-N -1 3 292.298 3.294 20 0 CGADHM CC(C)CC[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccco1 ZINC000445716334 393818289 /nfs/dbraw/zinc/81/82/89/393818289.db2.gz OZEDZMWWVSPXBL-QWHCGFSZSA-N -1 3 285.409 3.163 20 0 CGADHM CO[C@@H]1C[C@H](N(C)Cc2c(F)ccc([O-])c2F)C12CCC2 ZINC000449629185 393927620 /nfs/dbraw/zinc/92/76/20/393927620.db2.gz FBRWUBCMUZDLDS-UONOGXRCSA-N -1 3 297.345 3.060 20 0 CGADHM Cc1ccc(C(=O)N2CC(C)(C)[C@@H]2C2CC2)c([O-])c1C ZINC000292016542 292049494 /nfs/dbraw/zinc/04/94/94/292049494.db2.gz ZJCDSSJGTLLTGF-HNNXBMFYSA-N -1 3 273.376 3.270 20 0 CGADHM CSc1ccc([O-])c(C(=O)N2CCS[C@@H](C)[C@@H]2C)c1 ZINC000668894210 543075248 /nfs/dbraw/zinc/07/52/48/543075248.db2.gz UZWYUCRABXBHFJ-UWVGGRQHSA-N -1 3 297.445 3.080 20 0 CGADHM CSc1ccc([O-])c(C(=O)N(C)CCCOC(C)C)c1 ZINC000669063044 543083625 /nfs/dbraw/zinc/08/36/25/543083625.db2.gz YLNATGKTVMXFSX-UHFFFAOYSA-N -1 3 297.420 3.001 20 0 CGADHM Cc1ccc(C(=O)N2C[C@H](C3CC3)[C@H]2C2CC2)c([O-])c1C ZINC000456306979 292069319 /nfs/dbraw/zinc/06/93/19/292069319.db2.gz UFRBNIWHODLXDD-HZPDHXFCSA-N -1 3 285.387 3.270 20 0 CGADHM Cc1ccc(F)c(S(=O)(=O)[N-][C@@H](C)c2ccsc2)c1 ZINC000669844519 543127139 /nfs/dbraw/zinc/12/71/39/543127139.db2.gz VAAKHUDJTPULFU-JTQLQIEISA-N -1 3 299.392 3.235 20 0 CGADHM CC(C)c1ccc(C(=O)N2CCC[C@@H]3C[C@@H]32)c([O-])c1 ZINC000672129218 543199260 /nfs/dbraw/zinc/19/92/60/543199260.db2.gz WNMLTWSNSNUZSR-OCCSQVGLSA-N -1 3 259.349 3.140 20 0 CGADHM O=C([N-]c1cnoc1)c1cc(Cl)ccc1OC(F)F ZINC000673989771 543261798 /nfs/dbraw/zinc/26/17/98/543261798.db2.gz MWKJCQHSDGPSLX-UHFFFAOYSA-N -1 3 288.637 3.182 20 0 CGADHM O=C(Nc1cc(Cc2ccccc2)ccc1[O-])c1cocn1 ZINC000673910572 543258437 /nfs/dbraw/zinc/25/84/37/543258437.db2.gz HVPRIEWLUOAQFO-UHFFFAOYSA-N -1 3 294.310 3.223 20 0 CGADHM CSc1ccncc1[N-]C(=O)c1cccc(F)c1F ZINC000674258260 543278588 /nfs/dbraw/zinc/27/85/88/543278588.db2.gz IFUQHIMTRXMRGU-UHFFFAOYSA-N -1 3 280.299 3.334 20 0 CGADHM CC[C@H](C(=O)[O-])N(C)Cc1oc2c(cccc2C)c1C ZINC000650513775 397861525 /nfs/dbraw/zinc/86/15/25/397861525.db2.gz IHHVUQBVQRFTCE-CYBMUJFWSA-N -1 3 275.348 3.345 20 0 CGADHM Cc1ccc(C(=O)N2CCOc3c(C)cc(C)cc32)c([O-])c1 ZINC000650695974 397896420 /nfs/dbraw/zinc/89/64/20/397896420.db2.gz JJBDWZSGKAFOBP-UHFFFAOYSA-N -1 3 297.354 3.357 20 0 CGADHM O=C(c1ccccc1[O-])N1CC[C@H]1c1cccc(F)c1 ZINC000678314176 543514138 /nfs/dbraw/zinc/51/41/38/543514138.db2.gz UEBOTLQYOWMBHC-AWEZNQCLSA-N -1 3 271.291 3.119 20 0 CGADHM O=C([N-]c1nnc2ccccn21)Nc1ccc(C2CC2)cc1 ZINC000678531609 543533411 /nfs/dbraw/zinc/53/34/11/543533411.db2.gz FSEADOVYNIGZDX-UHFFFAOYSA-N -1 3 293.330 3.251 20 0 CGADHM CCO[N-]C(=O)C12C[C@H]3C[C@@H](C1)CC(C(F)(F)F)(C3)C2 ZINC000364323763 286183861 /nfs/dbraw/zinc/18/38/61/286183861.db2.gz ZQSDGHRGIZLXOA-ASZHBFLOSA-N -1 3 291.313 3.203 20 0 CGADHM Cc1ccc(C(=O)N(C)[C@@H]2CCC[C@@H](C)C2)c([O-])c1 ZINC000042355408 286893965 /nfs/dbraw/zinc/89/39/65/286893965.db2.gz RURMIYCLDPZWON-DGCLKSJQSA-N -1 3 261.365 3.351 20 0 CGADHM COCc1cccc(NC(=O)c2cccc(C)c2[O-])c1 ZINC000042356458 286893977 /nfs/dbraw/zinc/89/39/77/286893977.db2.gz LFZLCGLGFQXRTQ-UHFFFAOYSA-N -1 3 271.316 3.099 20 0 CGADHM COc1ccc([O-])c(C(=O)Nc2cc(C)ccc2C)c1 ZINC000051770458 286934708 /nfs/dbraw/zinc/93/47/08/286934708.db2.gz LRWDYJUYPHXVMU-UHFFFAOYSA-N -1 3 271.316 3.270 20 0 CGADHM COc1ccc([O-])c(C(=O)N2CCC[C@@H]3CCCC[C@H]32)c1 ZINC000052076978 286935677 /nfs/dbraw/zinc/93/56/77/286935677.db2.gz PQRMYSARNAQDDB-SWLSCSKDSA-N -1 3 289.375 3.196 20 0 CGADHM C[C@H](c1ccccc1)[C@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000080801708 287068613 /nfs/dbraw/zinc/06/86/13/287068613.db2.gz OJJIGEMBMFASIB-RYUDHWBXSA-N -1 3 295.429 3.219 20 0 CGADHM Cc1ccc(NC(=O)c2ccnc(OC3CCC3)c2)c([O-])c1 ZINC000090014784 287098540 /nfs/dbraw/zinc/09/85/40/287098540.db2.gz WRWCHZNPZKSINR-UHFFFAOYSA-N -1 3 298.342 3.279 20 0 CGADHM C[C@@H](CCC[C@H](C)C(=O)[O-])NCc1cc(F)ccc1F ZINC000087679356 165190782 /nfs/dbraw/zinc/19/07/82/165190782.db2.gz OTEPXWKRPWGDEF-QWRGUYRKSA-N -1 3 285.334 3.334 20 0 CGADHM CCc1onc(C)c1[N-]C(=O)c1scnc1C1CC1 ZINC000089834395 165216219 /nfs/dbraw/zinc/21/62/19/165216219.db2.gz VKZPKUFDZMUBIJ-UHFFFAOYSA-N -1 3 277.349 3.132 20 0 CGADHM C[C@H]1CC(C(=O)Nc2cc(Cl)ccc2[O-])C[C@H](C)O1 ZINC000093093487 287114850 /nfs/dbraw/zinc/11/48/50/287114850.db2.gz QRGMHNTXYNMJMF-IUCAKERBSA-N -1 3 283.755 3.188 20 0 CGADHM CCCC[C@@H]1CCC[C@@H]1NC(=O)c1ccc2n[n-]nc2c1 ZINC000110729228 287131888 /nfs/dbraw/zinc/13/18/88/287131888.db2.gz PJKYNPWLOFMGHA-YPMHNXCESA-N -1 3 286.379 3.047 20 0 CGADHM O=C(NCc1ccccc1OC1CCC1)c1cccc([O-])c1 ZINC000182468843 165703536 /nfs/dbraw/zinc/70/35/36/165703536.db2.gz ZIPKGOJPZGIBQX-UHFFFAOYSA-N -1 3 297.354 3.254 20 0 CGADHM COc1ccc([O-])c(-c2nc(-c3ccccc3F)no2)c1 ZINC000111688226 287136272 /nfs/dbraw/zinc/13/62/72/287136272.db2.gz GULIHTJUQNJKCA-UHFFFAOYSA-N -1 3 286.262 3.257 20 0 CGADHM C[C@@H]1CC[C@@H](NC(=O)NCc2ccc([O-])c(F)c2)C[C@H]1C ZINC000248646549 165778324 /nfs/dbraw/zinc/77/83/24/165778324.db2.gz SRGCNXBGTDFDNX-NQBHXWOUSA-N -1 3 294.370 3.155 20 0 CGADHM Cc1ccccc1CNCc1ccc(C(=O)[O-])s1 ZINC000006751477 170240198 /nfs/dbraw/zinc/24/01/98/170240198.db2.gz XIUKKLHXEXYRQJ-UHFFFAOYSA-N -1 3 261.346 3.045 20 0 CGADHM C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C1CC1 ZINC000007703115 170298243 /nfs/dbraw/zinc/29/82/43/170298243.db2.gz KIANBJUWWJFNAA-ZETCQYMHSA-N -1 3 294.203 3.070 20 0 CGADHM Cc1ccccc1[C@H]1CCCN1C(=O)c1ccc(O)cc1[O-] ZINC000033969100 171828382 /nfs/dbraw/zinc/82/83/82/171828382.db2.gz TWODFUZHWYZBHZ-MRXNPFEDSA-N -1 3 297.354 3.384 20 0 in-vivo CGADHM O=C(c1cccc([O-])c1)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000035153638 172016244 /nfs/dbraw/zinc/01/62/44/172016244.db2.gz VOVYRQPNSONEJH-GXTWGEPZSA-N -1 3 259.349 3.045 20 0 CGADHM O=C(Nc1cccc([O-])c1F)c1ccn(C2CCCC2)n1 ZINC000128444671 287311122 /nfs/dbraw/zinc/31/11/22/287311122.db2.gz IJEOSVFGLRBRAP-UHFFFAOYSA-N -1 3 289.310 3.095 20 0 CGADHM Cc1ccc(C)c(CC(=O)Nc2cccc([O-])c2F)c1 ZINC000128631082 287315091 /nfs/dbraw/zinc/31/50/91/287315091.db2.gz NIUVSYQXCVTYQX-UHFFFAOYSA-N -1 3 273.307 3.329 20 0 CGADHM O=C(CCC(=O)c1cccs1)Nc1cccc([O-])c1F ZINC000128705173 287316534 /nfs/dbraw/zinc/31/65/34/287316534.db2.gz KJKPIZRIABIWMI-UHFFFAOYSA-N -1 3 293.319 3.194 20 0 CGADHM O=C(Nc1cccc([O-])c1F)c1cc2c(cccc2F)[nH]1 ZINC000128768946 287317920 /nfs/dbraw/zinc/31/79/20/287317920.db2.gz RJIPWPZCWHNRNX-UHFFFAOYSA-N -1 3 288.253 3.404 20 0 CGADHM CC(C)c1ccc(C(=O)Nc2cccc([O-])c2F)cn1 ZINC000128928624 287320749 /nfs/dbraw/zinc/32/07/49/287320749.db2.gz DPKZRSRJMGTTLN-UHFFFAOYSA-N -1 3 274.295 3.302 20 0 CGADHM Cc1ccc(OCC(=O)Nc2cccc([O-])c2F)cc1C ZINC000128965658 287321714 /nfs/dbraw/zinc/32/17/14/287321714.db2.gz UMLNYWIDZQJUMS-UHFFFAOYSA-N -1 3 289.306 3.166 20 0 CGADHM C[C@H]1CCC[C@H](C(=O)Nc2cccc([O-])c2F)C1 ZINC000129366212 287329635 /nfs/dbraw/zinc/32/96/35/287329635.db2.gz LWIIGIFONRMCPT-UWVGGRQHSA-N -1 3 251.301 3.296 20 0 CGADHM C[C@@H](CN1Cc2ccccc2[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000315867840 416539712 /nfs/dbraw/zinc/53/97/12/416539712.db2.gz IIMSKNKBDLAQSH-KSSFIOAISA-N -1 3 295.382 3.474 20 0 CGADHM COC[C@H](C)Cc1noc(-c2cc3ccccc3cc2[O-])n1 ZINC000404189822 416549788 /nfs/dbraw/zinc/54/97/88/416549788.db2.gz DJORRJJPMBIDJZ-LLVKDONJSA-N -1 3 298.342 3.420 20 0 CGADHM C[C@@H]1CN(Cc2cc(C(=O)[O-])co2)CCc2ccccc21 ZINC000404698077 416557623 /nfs/dbraw/zinc/55/76/23/416557623.db2.gz CANRKGMRBLDNPM-GFCCVEGCSA-N -1 3 285.343 3.140 20 0 CGADHM CCc1noc2ncc(C(=O)Nc3c(C)cccc3[O-])cc12 ZINC000183040937 224675801 /nfs/dbraw/zinc/67/58/01/224675801.db2.gz AGUSPYDZELHCFX-UHFFFAOYSA-N -1 3 297.314 3.052 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2C[C@H](C)c3ccccc32)c1 ZINC000130003887 287342918 /nfs/dbraw/zinc/34/29/18/287342918.db2.gz MNGIFBUUHLRKFF-LBPRGKRZSA-N -1 3 267.328 3.465 20 0 CGADHM Cc1ccc(C(=O)N2C[C@@H](C)c3ccccc32)c([O-])c1 ZINC000129986187 287342514 /nfs/dbraw/zinc/34/25/14/287342514.db2.gz FEKIJEJIWQWNNM-GFCCVEGCSA-N -1 3 267.328 3.465 20 0 CGADHM Cc1cc(NC(=O)c2ccc(C)c(C)c2[O-])sn1 ZINC000130083048 287344421 /nfs/dbraw/zinc/34/44/21/287344421.db2.gz AABCROCXQCBQHL-UHFFFAOYSA-N -1 3 262.334 3.026 20 0 CGADHM Cc1cc(C(=O)N[C@H]2C[C@@]2(C)c2ccccc2)ccc1[O-] ZINC000679411152 543636294 /nfs/dbraw/zinc/63/62/94/543636294.db2.gz WXJLBPQYZRZYMU-WMZOPIPTSA-N -1 3 281.355 3.161 20 0 CGADHM C[C@@H](CC(=O)N1CCCc2cccc([O-])c21)c1ccncc1 ZINC000679318881 543616227 /nfs/dbraw/zinc/61/62/27/543616227.db2.gz IPLXRUNDAHEFOP-ZDUSSCGKSA-N -1 3 296.370 3.260 20 0 CGADHM Cc1cccc([O-])c1NC(=O)[C@@H]1CCN(C)c2ccccc21 ZINC000679320632 543616743 /nfs/dbraw/zinc/61/67/43/543616743.db2.gz CEPQZTHUUNQAHN-CQSZACIVSA-N -1 3 296.370 3.263 20 0 CGADHM CCc1ccc([C@@H](C)C(=O)Nc2nc(C)ccc2[O-])cc1 ZINC000680321558 543696331 /nfs/dbraw/zinc/69/63/31/543696331.db2.gz TWYBFPZVTNJOKO-GFCCVEGCSA-N -1 3 284.359 3.400 20 0 CGADHM C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)c1cccc([O-])c1 ZINC000679649095 543653285 /nfs/dbraw/zinc/65/32/85/543653285.db2.gz QNNTVEQUIHARCD-MWLCHTKSSA-N -1 3 287.281 3.195 20 0 CGADHM Cc1ccc(C(=O)NC2(C)CCC(F)(F)CC2)c([O-])c1 ZINC000680045053 543679251 /nfs/dbraw/zinc/67/92/51/543679251.db2.gz GAAJWPGRYPVASB-UHFFFAOYSA-N -1 3 283.318 3.398 20 0 CGADHM CCN(C)C(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000130394288 287354101 /nfs/dbraw/zinc/35/41/01/287354101.db2.gz SIWSOHZVYQOJIG-UHFFFAOYSA-N -1 3 285.343 3.063 20 0 CGADHM CCn1nc(C)cc1C(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000681088686 543764095 /nfs/dbraw/zinc/76/40/95/543764095.db2.gz HYHSDXLVSLVHNR-LLVKDONJSA-N -1 3 299.374 3.071 20 0 CGADHM Cc1cccc(C(=O)Nc2cc(CO)c(C)cc2C)c1[O-] ZINC000682579495 543853412 /nfs/dbraw/zinc/85/34/12/543853412.db2.gz KQPULXCFNNWBAW-UHFFFAOYSA-N -1 3 285.343 3.062 20 0 CGADHM CCCCOc1ccc(C(=O)N2CC(C(C)C)C2)c([O-])c1 ZINC000682810033 543870635 /nfs/dbraw/zinc/87/06/35/543870635.db2.gz VDXREYOYHFGTCJ-UHFFFAOYSA-N -1 3 291.391 3.299 20 0 CGADHM CC1(C)CN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000684078980 543963905 /nfs/dbraw/zinc/96/39/05/543963905.db2.gz NIGDHSUYHSVGNT-UHFFFAOYSA-N -1 3 295.382 3.465 20 0 CGADHM COc1cccc([C@H]2C[C@H](C)CN2Cc2ncccc2[O-])c1 ZINC000685427288 544068323 /nfs/dbraw/zinc/06/83/23/544068323.db2.gz LZAJJYXWNYSQQG-SUMWQHHRSA-N -1 3 298.386 3.379 20 0 CGADHM Cc1ccc([O-])c(C(=O)NC2(C(F)F)CCCC2)c1 ZINC000685281964 544059983 /nfs/dbraw/zinc/05/99/83/544059983.db2.gz SWGMRVIJBZKURS-UHFFFAOYSA-N -1 3 269.291 3.008 20 0 CGADHM Cc1ccc(CN(Cc2ccccc2)C[C@@H](C)C(=O)[O-])nc1 ZINC000652456464 418969546 /nfs/dbraw/zinc/96/95/46/418969546.db2.gz HVRVGYQABYVOPF-OAHLLOKOSA-N -1 3 298.386 3.113 20 0 CGADHM CC(C)[C@@H](O)[C@H]([N-]c1nnc(C2CC2)o1)c1ccccc1 ZINC000664531457 418973009 /nfs/dbraw/zinc/97/30/09/418973009.db2.gz LCYKMTOHVCPSLO-ZIAGYGMSSA-N -1 3 287.363 3.117 20 0 CGADHM CC1(CN(CCC(=O)[O-])Cc2cccc(F)c2F)CCC1 ZINC000652483751 418975162 /nfs/dbraw/zinc/97/51/62/418975162.db2.gz IWIVFHQGQYSXCO-UHFFFAOYSA-N -1 3 297.345 3.432 20 0 CGADHM C[C@H](NC(=O)c1ccc(O)cc1[O-])C1CCC(F)(F)CC1 ZINC000654252563 418947550 /nfs/dbraw/zinc/94/75/50/418947550.db2.gz CSZHVASUVCUOAB-VIFPVBQESA-N -1 3 299.317 3.042 20 0 CGADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H](CC)C3CC3)nc2)n1 ZINC000664439361 418959035 /nfs/dbraw/zinc/95/90/35/418959035.db2.gz WLXQSZWIUSRGOK-CQSZACIVSA-N -1 3 298.390 3.407 20 0 CGADHM Cc1cc([C@@H](C)N(C)CCC(C)C)oc1C(=O)[O-] ZINC000652388647 418959460 /nfs/dbraw/zinc/95/94/60/418959460.db2.gz OSTFINSNTSZQNM-LLVKDONJSA-N -1 3 253.342 3.325 20 0 CGADHM CN(Cc1cc(C(=O)[O-])ccc1Cl)CC1CCC1 ZINC000652408961 418963141 /nfs/dbraw/zinc/96/31/41/418963141.db2.gz UOLGLIDMQISNCS-UHFFFAOYSA-N -1 3 267.756 3.270 20 0 CGADHM CCc1cc(C(=O)N[C@H](COC)CC(C)(C)C)ccc1[O-] ZINC000655305171 419036987 /nfs/dbraw/zinc/03/69/87/419036987.db2.gz NGBVIJKLLXHDFA-AWEZNQCLSA-N -1 3 293.407 3.136 20 0 CGADHM CC(C)(C)C1CCC(CNCc2nocc2C(=O)[O-])CC1 ZINC000653507691 419040381 /nfs/dbraw/zinc/04/03/81/419040381.db2.gz OHJZEWRUANAEPX-UHFFFAOYSA-N -1 3 294.395 3.315 20 0 CGADHM CC[C@@H](CC(F)F)CN1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000659788316 418989410 /nfs/dbraw/zinc/98/94/10/418989410.db2.gz HCSKDDSVGYLBKZ-SMDDNHRTSA-N -1 3 297.345 3.352 20 0 CGADHM CSc1cccnc1[N-]C(=O)c1cc(C)n(C(C)C)n1 ZINC000652878157 418998355 /nfs/dbraw/zinc/99/83/55/418998355.db2.gz UGYPRKJOOBMTAD-UHFFFAOYSA-N -1 3 290.392 3.142 20 0 CGADHM CCc1cccc(C(=O)Nc2cnccc2CC)c1[O-] ZINC000652897421 419000686 /nfs/dbraw/zinc/00/06/86/419000686.db2.gz RFQNZMIOIIAQCK-UHFFFAOYSA-N -1 3 270.332 3.164 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)N2CC(C)(C)[C@H]2c2cccnc2)n1 ZINC000664820512 419010272 /nfs/dbraw/zinc/01/02/72/419010272.db2.gz ABFMRIHWIKMGBZ-IUODEOHRSA-N -1 3 298.390 3.030 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@H]1CCc2ccccc2C1 ZINC000653035938 419012552 /nfs/dbraw/zinc/01/25/52/419012552.db2.gz KBVTYLWTHHZJQT-HNNXBMFYSA-N -1 3 297.402 3.007 20 0 CGADHM CC(C)(C)c1coc([N-]C(=O)c2coc(C3CCC3)n2)n1 ZINC000653921402 419114002 /nfs/dbraw/zinc/11/40/02/419114002.db2.gz VPXXUOAXDOFMBF-UHFFFAOYSA-N -1 3 289.335 3.480 20 0 CGADHM CC(C)(C)c1cnc(CNC[C@H](C(=O)[O-])C2CCC2)s1 ZINC000665358305 419117116 /nfs/dbraw/zinc/11/71/16/419117116.db2.gz CHCBBEOONNHXRA-NSHDSACASA-N -1 3 296.436 3.031 20 0 CGADHM O=C([O-])CC1CCN(CCCc2c(F)cccc2F)CC1 ZINC000656190785 419147590 /nfs/dbraw/zinc/14/75/90/419147590.db2.gz RIWAXLHXFSCMAI-UHFFFAOYSA-N -1 3 297.345 3.084 20 0 CGADHM CCN(CC(=O)[O-])Cc1ccccc1OCc1ccccc1 ZINC000656190475 419147712 /nfs/dbraw/zinc/14/77/12/419147712.db2.gz DMIXDIKFRILGDG-UHFFFAOYSA-N -1 3 299.370 3.172 20 0 CGADHM C[C@@H]1CN(CCCCCC(=O)[O-])CC2(CCCCC2)O1 ZINC000656192105 419149152 /nfs/dbraw/zinc/14/91/52/419149152.db2.gz LKXRAQMVYBRZCO-CQSZACIVSA-N -1 3 283.412 3.055 20 0 CGADHM c1c(C[N-]c2nc(C3CCOCC3)no2)[nH]c2ccccc12 ZINC000665696016 419152116 /nfs/dbraw/zinc/15/21/16/419152116.db2.gz WFAUCVNCIIHEGS-UHFFFAOYSA-N -1 3 298.346 3.057 20 0 CGADHM CCCc1cc(=O)[n-]c(C(=Cc2cc3n(n2)CCC3)CC)n1 ZINC000656613812 419186857 /nfs/dbraw/zinc/18/68/57/419186857.db2.gz SFEIRWNNLQEXJW-FMIVXFBMSA-N -1 3 298.390 3.228 20 0 CGADHM CSc1c(F)cccc1[N-]S(=O)(=O)CCC1CC1 ZINC000656633500 419187985 /nfs/dbraw/zinc/18/79/85/419187985.db2.gz ILEJPLGLIJGTSN-UHFFFAOYSA-N -1 3 289.397 3.089 20 0 CGADHM CO[C@H](c1nc(-c2ccc([O-])cc2)no1)C1CCCC1 ZINC000656747457 419207003 /nfs/dbraw/zinc/20/70/03/419207003.db2.gz KXPQVKSJDPEHCC-ZDUSSCGKSA-N -1 3 274.320 3.320 20 0 CGADHM Cc1ccc2c(c1)CN(Cc1ccccc1C(=O)[O-])CC2 ZINC000656758604 419211119 /nfs/dbraw/zinc/21/11/19/419211119.db2.gz ISCYCDYCINRQOQ-UHFFFAOYSA-N -1 3 281.355 3.252 20 0 CGADHM CCc1onc(C)c1[N-]C(=O)c1cccnc1C(F)(F)F ZINC000355882011 228034359 /nfs/dbraw/zinc/03/43/59/228034359.db2.gz JUMMZNHFUSVSGF-UHFFFAOYSA-N -1 3 299.252 3.212 20 0 CGADHM CCSCc1cc(C(=O)[N-]c2ccc(F)cc2F)no1 ZINC000184618220 287548254 /nfs/dbraw/zinc/54/82/54/287548254.db2.gz MHKRACSAQYOXPH-UHFFFAOYSA-N -1 3 298.314 3.458 20 0 CGADHM CC12CC(C1)CN2Cc1oc(-c2ccccc2)nc1C(=O)[O-] ZINC000663316206 419553413 /nfs/dbraw/zinc/55/34/13/419553413.db2.gz UKYOWBKQVCIRFG-UHFFFAOYSA-N -1 3 298.342 3.024 20 0 CGADHM [O-]c1ccc(Sc2nc(C3CCOCC3)ns2)cc1 ZINC000663395355 419589731 /nfs/dbraw/zinc/58/97/31/419589731.db2.gz KLQGDEQSQALWED-UHFFFAOYSA-N -1 3 294.401 3.289 20 0 CGADHM CCNc1cc(C)ccc1NC(=O)/C=C/c1cncc([O-])c1 ZINC000191407469 287592389 /nfs/dbraw/zinc/59/23/89/287592389.db2.gz ZMJSJSNKXRUYHZ-FNORWQNLSA-N -1 3 297.358 3.179 20 0 CGADHM O=C(Nc1cccc([O-])c1F)c1ccoc1Cl ZINC000192440856 287600495 /nfs/dbraw/zinc/60/04/95/287600495.db2.gz BCWNVXGLAHOGEO-UHFFFAOYSA-N -1 3 255.632 3.030 20 0 CGADHM O=C(N[C@@H]1CCSc2ccccc21)c1cccc([O-])c1 ZINC000194339377 287614678 /nfs/dbraw/zinc/61/46/78/287614678.db2.gz BLKAMZSXOMROJD-CQSZACIVSA-N -1 3 285.368 3.359 20 0 CGADHM Cc1cc(C(=O)NCCCc2ccccc2)ccc1[O-] ZINC000226713288 287635299 /nfs/dbraw/zinc/63/52/99/287635299.db2.gz YRQAPXQXJSWWRJ-UHFFFAOYSA-N -1 3 269.344 3.063 20 0 CGADHM C[C@H](c1cccs1)N(C)C(=O)/C=C/c1cncc([O-])c1 ZINC000179435536 260047486 /nfs/dbraw/zinc/04/74/86/260047486.db2.gz SEMATCXEHRIMTB-MVIFTORASA-N -1 3 288.372 3.082 20 0 CGADHM CCc1cc2c([n-]c(-c3ccc(Cl)o3)nc2=O)s1 ZINC000180057892 260091580 /nfs/dbraw/zinc/09/15/80/260091580.db2.gz STCUUSIRTOTZRU-UHFFFAOYSA-N -1 3 280.736 3.460 20 0 CGADHM C[C@H]1CCC[C@H]1CC(=O)Nc1cc(F)ccc1[O-] ZINC000187718417 260163962 /nfs/dbraw/zinc/16/39/62/260163962.db2.gz AGDQVVAFDJGRFJ-UWVGGRQHSA-N -1 3 251.301 3.296 20 0 CGADHM COc1cc(C)cc(C(=O)Nc2cccc(C(C)=O)c2)c1[O-] ZINC000106903634 270049058 /nfs/dbraw/zinc/04/90/58/270049058.db2.gz VCFGGEXHDDTBBV-UHFFFAOYSA-N -1 3 299.326 3.164 20 0 CGADHM CCCN(C[C@@H]1CCCCO1)C(=O)c1cccc(C)c1[O-] ZINC000106696412 270049112 /nfs/dbraw/zinc/04/91/12/270049112.db2.gz NEXYENKWUCCUAO-AWEZNQCLSA-N -1 3 291.391 3.122 20 0 CGADHM C[C@H](C(=O)Nc1ccc([O-])cc1F)c1cccs1 ZINC000183246400 270055306 /nfs/dbraw/zinc/05/53/06/270055306.db2.gz XOBFDAAREZSCDA-QMMMGPOBSA-N -1 3 265.309 3.335 20 0 CGADHM C[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2C2CC2)c2c([O-])cccc21 ZINC000186272599 270065359 /nfs/dbraw/zinc/06/53/59/270065359.db2.gz NWPAGKOEBJUEHA-HONMWMINSA-N -1 3 271.360 3.279 20 0 CGADHM Cc1oc2ccccc2c1CNC(=O)c1cccc([O-])c1 ZINC000186236766 270065492 /nfs/dbraw/zinc/06/54/92/270065492.db2.gz BPIUDTXKKQLQIV-UHFFFAOYSA-N -1 3 281.311 3.377 20 0 CGADHM COc1ccc([O-])c(C(=O)Nc2cccc3ccn(C)c32)c1 ZINC000191582134 270075198 /nfs/dbraw/zinc/07/51/98/270075198.db2.gz IOUJXNWJBPOLIF-UHFFFAOYSA-N -1 3 296.326 3.145 20 0 CGADHM Cc1cc(C(=O)NCC(C(C)C)C(C)C)ccc1[O-] ZINC000218816005 270085544 /nfs/dbraw/zinc/08/55/44/270085544.db2.gz GOEUGYSYXNTAKD-UHFFFAOYSA-N -1 3 263.381 3.359 20 0 CGADHM C[C@H]1CCCC[C@H]1CC(=O)N=c1cc(-c2ccncc2)[n-][nH]1 ZINC000522312566 270105911 /nfs/dbraw/zinc/10/59/11/270105911.db2.gz ZJWVFTKONUPSCX-JSGCOSHPSA-N -1 3 298.390 3.049 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CCc3cc(OC)ccc32)c1 ZINC000522812071 270107163 /nfs/dbraw/zinc/10/71/63/270107163.db2.gz GYMXWBLLOLBZER-UHFFFAOYSA-N -1 3 297.354 3.166 20 0 CGADHM CCc1ccc([O-])c(C(=O)N[C@@H](C)Cc2ccsc2)c1 ZINC000523664854 270110152 /nfs/dbraw/zinc/11/01/52/270110152.db2.gz UVJKGORRIKVMQD-NSHDSACASA-N -1 3 289.400 3.377 20 0 CGADHM Cc1cccc(C)c1[C@@H](C)NC(=O)c1cccc2nn[n-]c21 ZINC000527114410 270125915 /nfs/dbraw/zinc/12/59/15/270125915.db2.gz SLXCEVICADDQIX-GFCCVEGCSA-N -1 3 294.358 3.066 20 0 CGADHM Cc1cccc(C)c1[C@@H](C)NC(=O)c1cccc2[n-]nnc21 ZINC000527114410 270125916 /nfs/dbraw/zinc/12/59/16/270125916.db2.gz SLXCEVICADDQIX-GFCCVEGCSA-N -1 3 294.358 3.066 20 0 CGADHM Cc1cccc(C)c1[C@@H](C)NC(=O)c1cccc2n[n-]nc21 ZINC000527114410 270125917 /nfs/dbraw/zinc/12/59/17/270125917.db2.gz SLXCEVICADDQIX-GFCCVEGCSA-N -1 3 294.358 3.066 20 0 CGADHM CSc1ccc(C)c(NC(=O)c2cccc3nn[n-]c32)c1 ZINC000527362343 270127766 /nfs/dbraw/zinc/12/77/66/270127766.db2.gz BWTLWDMEDZYTMR-UHFFFAOYSA-N -1 3 298.371 3.241 20 0 CGADHM CSc1ccc(C)c(NC(=O)c2cccc3[n-]nnc32)c1 ZINC000527362343 270127767 /nfs/dbraw/zinc/12/77/67/270127767.db2.gz BWTLWDMEDZYTMR-UHFFFAOYSA-N -1 3 298.371 3.241 20 0 CGADHM CSc1ccc(C)c(NC(=O)c2cccc3n[n-]nc32)c1 ZINC000527362343 270127768 /nfs/dbraw/zinc/12/77/68/270127768.db2.gz BWTLWDMEDZYTMR-UHFFFAOYSA-N -1 3 298.371 3.241 20 0 CGADHM C[C@H]1[C@@H](C2CC2)[C@H]1c1nc(-c2ccc([O-])cc2)no1 ZINC000528156109 270156140 /nfs/dbraw/zinc/15/61/40/270156140.db2.gz MDUKKDTXYRAYRP-HJIKLVIJSA-N -1 3 256.305 3.202 20 0 CGADHM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000528905574 270175533 /nfs/dbraw/zinc/17/55/33/270175533.db2.gz XFLGBDPHJOSXNO-LOKDSWTASA-N -1 3 283.755 3.044 20 0 CGADHM Cc1cccc([O-])c1NC(=O)[C@H]1CC(C)(C)OC1(C)C ZINC000528951925 270176367 /nfs/dbraw/zinc/17/63/67/270176367.db2.gz XBPSNTWQLKLEBQ-LLVKDONJSA-N -1 3 277.364 3.233 20 0 CGADHM [O-]c1ccc(F)c(CNC[C@@H]2CC[C@@H]3C[C@@H]3C2)c1F ZINC000529638629 270186458 /nfs/dbraw/zinc/18/64/58/270186458.db2.gz MMUJEOUMPGIORT-MXWKQRLJSA-N -1 3 267.319 3.196 20 0 CGADHM Cc1cccc([C@@H](NC(=O)Cc2cncc([O-])c2)C(C)C)c1 ZINC000530034768 270193336 /nfs/dbraw/zinc/19/33/36/270193336.db2.gz XRJXPARMEWBASO-SFHVURJKSA-N -1 3 298.386 3.152 20 0 CGADHM Cc1cccc(C)c1CN1CCc2occc2[C@@H]1C(=O)[O-] ZINC000530167363 270195433 /nfs/dbraw/zinc/19/54/33/270195433.db2.gz VXGROOKNARTEFN-MRXNPFEDSA-N -1 3 285.343 3.080 20 0 CGADHM CCc1ccc(CN2CCc3occc3[C@H]2C(=O)[O-])cc1 ZINC000530167508 270195446 /nfs/dbraw/zinc/19/54/46/270195446.db2.gz XEMCUULSQWHAAX-INIZCTEOSA-N -1 3 285.343 3.026 20 0 CGADHM CCc1cccc(C(=O)N[C@H](C)Cc2ccc(O)cc2)c1[O-] ZINC000532755310 270219086 /nfs/dbraw/zinc/21/90/86/270219086.db2.gz IOUUAOVYTVLDCV-GFCCVEGCSA-N -1 3 299.370 3.021 20 0 CGADHM Cc1cc(C(=O)N2C[C@H](C)C[C@H](C)[C@@H]2C)ccc1[O-] ZINC000235360170 287649758 /nfs/dbraw/zinc/64/97/58/287649758.db2.gz HSXUEFCRHWDRLO-MDZLAQPJSA-N -1 3 261.365 3.207 20 0 CGADHM COc1ccc(C(=O)N2[C@H](C)C[C@H]3CCCC[C@H]32)c([O-])c1 ZINC000246708187 287717233 /nfs/dbraw/zinc/71/72/33/287717233.db2.gz DNNFINKZMCQJQK-LALPHHSUSA-N -1 3 289.375 3.194 20 0 CGADHM C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2C2CC2)c2c([O-])cccc21 ZINC000248728920 287781151 /nfs/dbraw/zinc/78/11/51/287781151.db2.gz NWPAGKOEBJUEHA-DDTOSNHZSA-N -1 3 271.360 3.279 20 0 CGADHM C[C@@H]1CC[C@H](NC(=O)c2cc([O-])ccc2C(F)(F)F)C1 ZINC000334820270 287785135 /nfs/dbraw/zinc/78/51/35/287785135.db2.gz SDKHNGHIENNAFL-BDAKNGLRSA-N -1 3 287.281 3.329 20 0 CGADHM CC(C)n1cnc(C(=O)N2CC[C@@H](C)c3cccc([O-])c32)c1 ZINC000282219460 275789041 /nfs/dbraw/zinc/78/90/41/275789041.db2.gz GRKGRRGEJUVXPR-GFCCVEGCSA-N -1 3 299.374 3.324 20 0 CGADHM Cc1ncc(/C=C\C(=O)Nc2ccc(Cl)cc2[O-])s1 ZINC000255569903 287872372 /nfs/dbraw/zinc/87/23/72/287872372.db2.gz AWIPYFARMIFTJK-HYXAFXHYSA-N -1 3 294.763 3.462 20 0 CGADHM CC(F)(F)C(=O)[N-][C@@H]1CCCc2c(F)cc(F)cc21 ZINC000295440954 276093836 /nfs/dbraw/zinc/09/38/36/276093836.db2.gz FNIHDXUCQTVCBO-LLVKDONJSA-N -1 3 275.245 3.114 20 0 CGADHM C[C@H]1CCN(C(=O)C2CCCC2)c2c([O-])cccc21 ZINC000186264030 278357271 /nfs/dbraw/zinc/35/72/71/278357271.db2.gz QPBWEGPDXOLDLT-NSHDSACASA-N -1 3 259.349 3.423 20 0 CGADHM C[C@@H]1CCN(C(=O)COC(C)(C)C)c2c([O-])cccc21 ZINC000186286163 278531129 /nfs/dbraw/zinc/53/11/29/278531129.db2.gz WAVSUTYPXCZXBK-LLVKDONJSA-N -1 3 277.364 3.048 20 0 CGADHM Cc1cc(C(=O)N2C[C@H](C)Oc3ccccc32)ccc1[O-] ZINC000436938108 278642961 /nfs/dbraw/zinc/64/29/61/278642961.db2.gz KDLXUCKLHQEJKB-LBPRGKRZSA-N -1 3 283.327 3.128 20 0 CGADHM Cc1cc(C(=O)[N-]c2nc3cc(F)c(C)cc3s2)on1 ZINC000357983414 278655440 /nfs/dbraw/zinc/65/54/40/278655440.db2.gz DZRXPLPZKFMSDW-UHFFFAOYSA-N -1 3 291.307 3.293 20 0 CGADHM C[C@H]1CCN(C(=O)c2cc(C3CC3)on2)c2c([O-])cccc21 ZINC000186255545 279707342 /nfs/dbraw/zinc/70/73/42/279707342.db2.gz BZRLPFDTUKFFEA-JTQLQIEISA-N -1 3 298.342 3.412 20 0 CGADHM O=C(c1cc([O-])cc(Br)c1)N1CCCCCC1 ZINC000527633034 288178805 /nfs/dbraw/zinc/17/88/05/288178805.db2.gz LUYOLLRNJMKCKP-UHFFFAOYSA-N -1 3 298.180 3.171 20 0 CGADHM CC[C@H]1CCCCCN1C(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000332289638 288186073 /nfs/dbraw/zinc/18/60/73/288186073.db2.gz SQGPWXCVWJCNRX-AWEZNQCLSA-N -1 3 289.375 3.390 20 0 CGADHM CC1(C(=O)[N-]OCc2ccccc2)CCC(F)(F)CC1 ZINC000527712682 288190130 /nfs/dbraw/zinc/19/01/30/288190130.db2.gz VASDVJINXYDTLZ-UHFFFAOYSA-N -1 3 283.318 3.450 20 0 CGADHM Cc1cc(C(=O)N2CC[C@H](C)c3cccc([O-])c32)ccn1 ZINC000279721686 280336333 /nfs/dbraw/zinc/33/63/33/280336333.db2.gz LNSZYWDGVZRNRH-NSHDSACASA-N -1 3 282.343 3.250 20 0 CGADHM CCC[C@H](OCC)C(=O)Nc1c([O-])cccc1Cl ZINC000529425620 288246411 /nfs/dbraw/zinc/24/64/11/288246411.db2.gz KMJYNRDVGNZFDP-NSHDSACASA-N -1 3 271.744 3.189 20 0 CGADHM CCSc1ccccc1C(=O)Nc1ncccc1[O-] ZINC000542168418 288737217 /nfs/dbraw/zinc/73/72/17/288737217.db2.gz TXRRTMUJBRQAHZ-UHFFFAOYSA-N -1 3 274.345 3.152 20 0 CGADHM CCc1cccc(C(=O)N2CC[C@@H](C)C(C)(C)C2)c1[O-] ZINC000546187661 288919121 /nfs/dbraw/zinc/91/91/21/288919121.db2.gz ATQAUHUPAGZBLG-GFCCVEGCSA-N -1 3 275.392 3.463 20 0 CGADHM CCc1cccc(-c2nc(-c3cncc(C)c3)no2)c1[O-] ZINC000546314961 288923372 /nfs/dbraw/zinc/92/33/72/288923372.db2.gz SXUMOFKAWVGNTL-UHFFFAOYSA-N -1 3 281.315 3.375 20 0 CGADHM Cc1ccc(-c2cc(C(=O)Nc3cnn(C(C)C)c3)n[n-]2)o1 ZINC000550572265 289078454 /nfs/dbraw/zinc/07/84/54/289078454.db2.gz QTXWPALCMGGZLS-UHFFFAOYSA-N -1 3 299.334 3.008 20 0 CGADHM Cc1ccc(-c2cc(C(=O)Nc3cnn(C(C)C)c3)[n-]n2)o1 ZINC000550572265 289078456 /nfs/dbraw/zinc/07/84/56/289078456.db2.gz QTXWPALCMGGZLS-UHFFFAOYSA-N -1 3 299.334 3.008 20 0 CGADHM O=C(NC/C=C/c1ccccc1)c1cc([O-])ccc1Cl ZINC000550647884 289080164 /nfs/dbraw/zinc/08/01/64/289080164.db2.gz VBHGWCDIFGUKPQ-QPJJXVBHSA-N -1 3 287.746 3.489 20 0 CGADHM O=C(Cc1coc2ccccc12)Nc1ccc([O-])cc1F ZINC000552145270 289167908 /nfs/dbraw/zinc/16/79/08/289167908.db2.gz OOAZOHIZUJISOW-UHFFFAOYSA-N -1 3 285.274 3.459 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2cc3c(c(Cl)c2)OCO3)n1 ZINC000554518074 289288741 /nfs/dbraw/zinc/28/87/41/289288741.db2.gz HURIKJHITXQCAX-NSCUHMNNSA-N -1 3 290.706 3.043 20 0 CGADHM CCc1ccc(C(=O)NCC(C)(C)C(F)(F)F)c([O-])c1 ZINC000554803300 289310005 /nfs/dbraw/zinc/31/00/05/289310005.db2.gz BMKNSGMMGIHQLI-UHFFFAOYSA-N -1 3 289.297 3.273 20 0 CGADHM C[C@H]1CC(C)(C)CC[C@H]1NC(=O)Cc1ccc([O-])c(F)c1 ZINC000450039470 290337293 /nfs/dbraw/zinc/33/72/93/290337293.db2.gz CTHZHVIGPOCYPY-SMDDNHRTSA-N -1 3 293.382 3.405 20 0 CGADHM Cc1cc(C(=O)N2CCC[C@@H]3CCCC[C@@H]32)ccc1[O-] ZINC000227015134 301096485 /nfs/dbraw/zinc/09/64/85/301096485.db2.gz ODZBHNASPXAESZ-ZFWWWQNUSA-N -1 3 273.376 3.495 20 0 CGADHM COc1ccc(C(=O)Nc2ccc(Cl)cc2[O-])cc1 ZINC000153426561 321719310 /nfs/dbraw/zinc/71/93/10/321719310.db2.gz FNCYPUNRMIQVDY-UHFFFAOYSA-N -1 3 277.707 3.307 20 0 CGADHM [O-]c1cccnc1CN(Cc1ccc(F)cc1)C1CC1 ZINC000563570403 322003131 /nfs/dbraw/zinc/00/31/31/322003131.db2.gz DJVSHKKETFOSNL-UHFFFAOYSA-N -1 3 272.323 3.091 20 0 CGADHM Cc1ccc(CN[C@@H](C)CCCC(=O)[O-])c(Cl)c1 ZINC000563960807 322016715 /nfs/dbraw/zinc/01/67/15/322016715.db2.gz SPGUPGNNHDNXFN-NSHDSACASA-N -1 3 269.772 3.381 20 0 CGADHM CCc1ccc(C(=O)Nc2cccc(C(C)=O)c2O)c([O-])c1 ZINC000564307944 322026228 /nfs/dbraw/zinc/02/62/28/322026228.db2.gz YQWROJJXQFVWBT-UHFFFAOYSA-N -1 3 299.326 3.115 20 0 CGADHM CCC[C@@H]1CCCC[C@H]1CNC(=O)Cc1cncc([O-])c1 ZINC000565435343 322077996 /nfs/dbraw/zinc/07/79/96/322077996.db2.gz ZROJOTOQGZCUSD-CABCVRRESA-N -1 3 290.407 3.052 20 0 CGADHM C[C@@H](c1ccc(C(=O)[O-])o1)N(C)CCc1ccc(F)cc1 ZINC000565485135 322079672 /nfs/dbraw/zinc/07/96/72/322079672.db2.gz AHWPGWDMOMQYTI-NSHDSACASA-N -1 3 291.322 3.352 20 0 CGADHM Cc1oc(CN(C)CCCc2ccsc2)cc1C(=O)[O-] ZINC000566567384 322130011 /nfs/dbraw/zinc/13/00/11/322130011.db2.gz NYKNLJSLUGDZSE-UHFFFAOYSA-N -1 3 293.388 3.412 20 0 CGADHM Cc1cc([C@@H](C)NCc2ncccc2[O-])c(C)s1 ZINC000567085222 322149774 /nfs/dbraw/zinc/14/97/74/322149774.db2.gz VHIKQFCNCZWBPZ-SNVBAGLBSA-N -1 3 262.378 3.316 20 0 CGADHM C[C@@H]1C[C@H]1c1noc(CCCc2ccc([O-])c(F)c2)n1 ZINC000569289522 322242114 /nfs/dbraw/zinc/24/21/14/322242114.db2.gz AELKZLRCVUJHQW-MWLCHTKSSA-N -1 3 276.311 3.213 20 0 CGADHM C[C@@H]1C[C@@H]1c1noc(CCCc2ccc([O-])c(F)c2)n1 ZINC000569289521 322242165 /nfs/dbraw/zinc/24/21/65/322242165.db2.gz AELKZLRCVUJHQW-KOLCDFICSA-N -1 3 276.311 3.213 20 0 CGADHM Cc1ccccc1[C@H](NCc1ncccc1[O-])C1CC1 ZINC000569531324 322249680 /nfs/dbraw/zinc/24/96/80/322249680.db2.gz FMPCZQKTSRPXIL-QGZVFWFLSA-N -1 3 268.360 3.337 20 0 CGADHM O=C([O-])c1coc(CN2CCC[C@H](Cc3ccccc3)C2)c1 ZINC000569700790 322254799 /nfs/dbraw/zinc/25/47/99/322254799.db2.gz HOFAEZJKWVWJOQ-OAHLLOKOSA-N -1 3 299.370 3.433 20 0 CGADHM CCc1cccc(CN[C@H](C(=O)[O-])c2ccc(C)cc2)c1 ZINC000569697358 322254891 /nfs/dbraw/zinc/25/48/91/322254891.db2.gz ONLYODDIUUDBIJ-KRWDZBQOSA-N -1 3 283.371 3.473 20 0 CGADHM CC[C@H](c1ccc(F)cc1F)N1CC[C@H](C(=O)[O-])[C@H]1C ZINC000569855795 322258834 /nfs/dbraw/zinc/25/88/34/322258834.db2.gz APQREHJUYGPZOG-OLUVUFQESA-N -1 3 283.318 3.211 20 0 CGADHM CCN(Cc1c[nH]c2ccccc12)Cc1ncccc1[O-] ZINC000570553580 322276571 /nfs/dbraw/zinc/27/65/71/322276571.db2.gz OGTNLAFMHAYPLM-UHFFFAOYSA-N -1 3 281.359 3.291 20 0 CGADHM Cc1cccc(CN(CCCC(=O)[O-])Cc2ccccc2)n1 ZINC000571020282 322287705 /nfs/dbraw/zinc/28/77/05/322287705.db2.gz HMTSHUQQFDMQEJ-UHFFFAOYSA-N -1 3 298.386 3.257 20 0 CGADHM CC(C)Oc1ccccc1[C@H](C)NCc1ncccc1[O-] ZINC000571246074 322293892 /nfs/dbraw/zinc/29/38/92/322293892.db2.gz GYXLTUWTJYJJGN-ZDUSSCGKSA-N -1 3 286.375 3.425 20 0 CGADHM CC(C)c1cccc2c1CCN(CC1(C(=O)[O-])CC1)C2 ZINC000571291787 322294978 /nfs/dbraw/zinc/29/49/78/322294978.db2.gz UOALSEISAQECMP-UHFFFAOYSA-N -1 3 273.376 3.033 20 0 CGADHM [O-]c1ccc(F)c(CNCCc2ccc(F)cc2F)c1F ZINC000571426018 322298348 /nfs/dbraw/zinc/29/83/48/322298348.db2.gz NVFDCOVHNCGUIN-UHFFFAOYSA-N -1 3 299.267 3.281 20 0 CGADHM [O-]c1ccc(-c2noc(C34CCC(CC3)C4)n2)cc1 ZINC000571836028 322308731 /nfs/dbraw/zinc/30/87/31/322308731.db2.gz QTRKQFWCLDVXHC-UHFFFAOYSA-N -1 3 256.305 3.274 20 0 CGADHM Cc1c([N-]c2nc3cc(C)ccc3o2)cnn1[C@H]1CCOC1 ZINC000571971263 322313942 /nfs/dbraw/zinc/31/39/42/322313942.db2.gz QSYBSMYDQJKUHC-LBPRGKRZSA-N -1 3 298.346 3.346 20 0 CGADHM Cc1ccc(CCN(CCC(=O)[O-])Cc2ccco2)cc1 ZINC000572332880 322331695 /nfs/dbraw/zinc/33/16/95/322331695.db2.gz YXVGATHMMIOYMU-UHFFFAOYSA-N -1 3 287.359 3.107 20 0 CGADHM O=C([O-])c1ccc(CN2CC[C@H](Cc3ccccc3)C2)o1 ZINC000572728328 322351798 /nfs/dbraw/zinc/35/17/98/322351798.db2.gz KLVVGQCHJPFVIC-CQSZACIVSA-N -1 3 285.343 3.042 20 0 CGADHM O=C([O-])CC1(CN2CCSC[C@H]2c2ccccc2)CC1 ZINC000572728381 322351938 /nfs/dbraw/zinc/35/19/38/322351938.db2.gz MVTAPTLMWKZAIL-AWEZNQCLSA-N -1 3 291.416 3.031 20 0 CGADHM C[C@@H]1CC[C@H](NC(=O)c2c[n-]nc2-c2ccccn2)[C@@H](C)C1 ZINC000573611902 322397347 /nfs/dbraw/zinc/39/73/47/322397347.db2.gz UOZGZCMZZZDBNO-DYEKYZERSA-N -1 3 298.390 3.026 20 0 CGADHM CC(=O)c1cccc(NC(=O)[C@H]2CC[C@H](C)CC2)c1[O-] ZINC000574091008 322422913 /nfs/dbraw/zinc/42/29/13/322422913.db2.gz ANOLGRLUBYNNLM-UMSPYCQHSA-N -1 3 275.348 3.360 20 0 CGADHM CC[C@@H]1CCN(Cc2cc(C(=O)[O-])ccc2Cl)C1 ZINC000576523688 327034105 /nfs/dbraw/zinc/03/41/05/327034105.db2.gz UEBBARGDZJJLRI-SNVBAGLBSA-N -1 3 267.756 3.270 20 0 CGADHM CCC[C@@H](C(=O)[O-])N(C)Cc1cc(Cl)ccc1OC ZINC000583386770 327337535 /nfs/dbraw/zinc/33/75/35/327337535.db2.gz LTXDJQZALJUMIR-LBPRGKRZSA-N -1 3 285.771 3.034 20 0 CGADHM O=C(c1cc([O-])c2ccccc2c1)N1Cc2cccnc2C1 ZINC000580354997 328795904 /nfs/dbraw/zinc/79/59/04/328795904.db2.gz PMPOTXPUSKXLOZ-UHFFFAOYSA-N -1 3 290.322 3.096 20 0 CGADHM Cc1ccc2ncc(C(=O)[O-])c(N3CCC[C@@H](F)C3)c2c1 ZINC000583145986 329322330 /nfs/dbraw/zinc/32/23/30/329322330.db2.gz GILOZYNFOMRKAQ-LLVKDONJSA-N -1 3 288.322 3.180 20 0 CGADHM Cc1ccc(F)cc1C(=O)Nc1cc(F)ccc1[O-] ZINC000174874554 335168353 /nfs/dbraw/zinc/16/83/53/335168353.db2.gz HIZDLQMIJLIATL-UHFFFAOYSA-N -1 3 263.243 3.231 20 0 CGADHM Cc1cccc(C)c1NCC(=O)Nc1cc(F)ccc1[O-] ZINC000174892100 335168982 /nfs/dbraw/zinc/16/89/82/335168982.db2.gz YDWNMNMNGIVKKH-UHFFFAOYSA-N -1 3 288.322 3.199 20 0 CGADHM C[C@@H](C(=O)Nc1cc(F)ccc1[O-])c1cccc(F)c1 ZINC000174892160 335168999 /nfs/dbraw/zinc/16/89/99/335168999.db2.gz BKSYKIOGYWDSQP-SECBINFHSA-N -1 3 277.270 3.413 20 0 CGADHM O=C(Nc1ccc(Cl)cc1[O-])c1ccc2[nH]cnc2c1 ZINC000153621159 334674939 /nfs/dbraw/zinc/67/49/39/334674939.db2.gz ZEVQKDSZWHAVRA-UHFFFAOYSA-N -1 3 287.706 3.174 20 0 CGADHM Cc1ccccc1[C@H](C)N(C)Cc1ccc(C(=O)[O-])o1 ZINC000576405841 335199868 /nfs/dbraw/zinc/19/98/68/335199868.db2.gz VOWLXEFPCKPPCU-LBPRGKRZSA-N -1 3 273.332 3.479 20 0 CGADHM CC[C@H](CNC(=O)c1cccc([O-])c1)c1ccccc1 ZINC000176109362 335240116 /nfs/dbraw/zinc/24/01/16/335240116.db2.gz YGNXGHVPFGYCMA-CYBMUJFWSA-N -1 3 269.344 3.316 20 0 CGADHM COc1ccc2c(c1)C[C@H](C)N(Cc1ncccc1[O-])[C@@H]2C ZINC000576742487 335242009 /nfs/dbraw/zinc/24/20/09/335242009.db2.gz PYSYMAOVFJSQIY-QWHCGFSZSA-N -1 3 298.386 3.304 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)[C@H]2C[C@H]2C2CC2)c1[O-] ZINC000176160330 335246733 /nfs/dbraw/zinc/24/67/33/335246733.db2.gz QMELQEXOMXEDJA-QWRGUYRKSA-N -1 3 265.740 3.339 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)[C@@H]2C[C@@H]2C2CC2)c1[O-] ZINC000176160284 335246777 /nfs/dbraw/zinc/24/67/77/335246777.db2.gz QMELQEXOMXEDJA-GHMZBOCLSA-N -1 3 265.740 3.339 20 0 CGADHM Cc1ccccc1[C@@H]1CCN(c2ccncc2C(=O)[O-])C1 ZINC000577065866 335294460 /nfs/dbraw/zinc/29/44/60/335294460.db2.gz FGEMUDNKMNKAPR-CYBMUJFWSA-N -1 3 282.343 3.082 20 0 CGADHM CCS[C@@H]1CC[C@H](N(C)Cc2cc(C(=O)[O-])oc2C)C1 ZINC000577118089 335303457 /nfs/dbraw/zinc/30/34/57/335303457.db2.gz OFUHGJQPIJPKGH-QWHCGFSZSA-N -1 3 297.420 3.392 20 0 CGADHM Cc1ccnc([C@H]2CCN(C(=O)c3cccc(C)c3[O-])C2)c1 ZINC000577232228 335327696 /nfs/dbraw/zinc/32/76/96/335327696.db2.gz XLAFMUPRWIXZGI-AWEZNQCLSA-N -1 3 296.370 3.034 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CCCc3occc3C2)c1 ZINC000577449227 335353184 /nfs/dbraw/zinc/35/31/84/335353184.db2.gz RSFBWNGNPTVOOX-UHFFFAOYSA-N -1 3 285.343 3.136 20 0 CGADHM CCc1cccc(C(=O)N2C[C@H](C)[C@H](C)[C@H]2C)c1[O-] ZINC000577483562 335356967 /nfs/dbraw/zinc/35/69/67/335356967.db2.gz HMPYJCCDLJLSIC-SDDRHHMPSA-N -1 3 261.365 3.071 20 0 CGADHM CC[C@@H]1CCN([C@H](C)c2cc(C(=O)[O-])c(C)o2)C1 ZINC000577500089 335360186 /nfs/dbraw/zinc/36/01/86/335360186.db2.gz OCRVTTLWFGEVEE-MWLCHTKSSA-N -1 3 251.326 3.079 20 0 CGADHM Cc1cccc(C(=O)NC(C)(C)C(=O)c2ccccc2)c1[O-] ZINC000578051490 335472229 /nfs/dbraw/zinc/47/22/29/335472229.db2.gz DKVCEFOXCMKGKH-UHFFFAOYSA-N -1 3 297.354 3.092 20 0 CGADHM Cc1ccc(O[C@@H](C)C(=O)Nc2c(C)cccc2[O-])cc1 ZINC000179544953 335499843 /nfs/dbraw/zinc/49/98/43/335499843.db2.gz QFAXPNBMGCFMOX-ZDUSSCGKSA-N -1 3 285.343 3.415 20 0 CGADHM CCOc1cc(-c2noc(C[C@H]3C[C@@H]3C)n2)ccc1[O-] ZINC000350563963 335514436 /nfs/dbraw/zinc/51/44/36/335514436.db2.gz DJUPZLHSJJLGKK-GXSJLCMTSA-N -1 3 274.320 3.039 20 0 CGADHM COc1cc(C)cc(-c2nc(-c3ccc(C)o3)no2)c1[O-] ZINC000350806555 335535219 /nfs/dbraw/zinc/53/52/19/335535219.db2.gz RRRZJDHOUAAKES-UHFFFAOYSA-N -1 3 286.287 3.328 20 0 CGADHM CCCCCN(C(=O)c1cc(=O)[n-]c(C2CC2)n1)C(C)C ZINC000579129000 335713815 /nfs/dbraw/zinc/71/38/15/335713815.db2.gz OXTMRMDPGDWVEX-UHFFFAOYSA-N -1 3 291.395 3.100 20 0 CGADHM CCOC1(CNCc2cccc([O-])c2Cl)CCCC1 ZINC000380830885 336035105 /nfs/dbraw/zinc/03/51/05/336035105.db2.gz JSNJAQMXLZKUCP-UHFFFAOYSA-N -1 3 283.799 3.485 20 0 CGADHM CC1(C)CCN(Cc2cccc(C(=O)[O-])c2Cl)C1 ZINC000381877888 336075170 /nfs/dbraw/zinc/07/51/70/336075170.db2.gz KCBNAXIFKWQWMZ-UHFFFAOYSA-N -1 3 267.756 3.270 20 0 CGADHM COCCN(Cc1ccccc1)Cc1ccccc1C(=O)[O-] ZINC000384399739 336124242 /nfs/dbraw/zinc/12/42/42/336124242.db2.gz KMUXPGNUQFWUBE-UHFFFAOYSA-N -1 3 299.370 3.033 20 0 CGADHM C[C@H](CC(C)(C)NCc1ccc(F)cc1Cl)C(=O)[O-] ZINC000417630908 533725304 /nfs/dbraw/zinc/72/53/04/533725304.db2.gz DETAORKPELCGCH-SECBINFHSA-N -1 3 287.762 3.458 20 0 CGADHM Cc1cc2cc(CNC(=O)c3ccc(C)cc3[O-])ccc2[nH]1 ZINC000436711685 534090859 /nfs/dbraw/zinc/09/08/59/534090859.db2.gz JYBTXKRVDLQKGE-UHFFFAOYSA-N -1 3 294.354 3.420 20 0 CGADHM COc1ccc(NC(=O)[C@@H]2CCCC[C@H]2C)c([O-])c1 ZINC000424807139 534152027 /nfs/dbraw/zinc/15/20/27/534152027.db2.gz RTGLFAARHLEQHE-ZYHUDNBSSA-N -1 3 263.337 3.166 20 0 CGADHM Cc1ccc(-c2nnc(NC(=O)[C@@H]3CCC(C)(C)C3)[n-]2)o1 ZINC000359643843 534200123 /nfs/dbraw/zinc/20/01/23/534200123.db2.gz MDEPHDJLOJSDOI-SNVBAGLBSA-N -1 3 288.351 3.138 20 0 CGADHM Cc1ccc(-c2n[n-]c(NC(=O)[C@@H]3CCC(C)(C)C3)n2)o1 ZINC000359643843 534200129 /nfs/dbraw/zinc/20/01/29/534200129.db2.gz MDEPHDJLOJSDOI-SNVBAGLBSA-N -1 3 288.351 3.138 20 0 CGADHM Cc1ccc(-c2nc(NC(=O)[C@@H]3CCC(C)(C)C3)n[n-]2)o1 ZINC000359643843 534200132 /nfs/dbraw/zinc/20/01/32/534200132.db2.gz MDEPHDJLOJSDOI-SNVBAGLBSA-N -1 3 288.351 3.138 20 0 CGADHM Cc1ccc(C(=O)N[C@@H](C(C)C)C(F)(F)F)c([O-])c1 ZINC000436828354 534269160 /nfs/dbraw/zinc/26/91/60/534269160.db2.gz LXZMVNQABLRAOI-NSHDSACASA-N -1 3 275.270 3.017 20 0 CGADHM Cc1ccc2c(c1)CN(C(=O)c1cccc(C)c1[O-])C2 ZINC000436604811 534424824 /nfs/dbraw/zinc/42/48/24/534424824.db2.gz OTTJYBOGHUQOHX-UHFFFAOYSA-N -1 3 267.328 3.165 20 0 CGADHM O=C(NC[C@@H]1CCCCC(F)(F)C1)c1ccc(O)cc1[O-] ZINC000436803058 534558566 /nfs/dbraw/zinc/55/85/66/534558566.db2.gz MGZSFVLTRBCBHR-SNVBAGLBSA-N -1 3 299.317 3.043 20 0 CGADHM Cc1cccc(C(=O)N2CC[C@@H](C)C3(CCC3)C2)c1[O-] ZINC000436714161 534594860 /nfs/dbraw/zinc/59/48/60/534594860.db2.gz LHMWFUPGAWQMIT-CYBMUJFWSA-N -1 3 273.376 3.353 20 0 CGADHM Cc1cccc(C(=O)N2CCc3cc(F)ccc32)c1[O-] ZINC000436626309 534597082 /nfs/dbraw/zinc/59/70/82/534597082.db2.gz PEFARPTWDXLVMX-UHFFFAOYSA-N -1 3 271.291 3.043 20 0 CGADHM CC[C@H](C)[C@H](C)N(C(=O)c1ccc(O)cc1[O-])C1CC1 ZINC000105380740 521922774 /nfs/dbraw/zinc/92/27/74/521922774.db2.gz PSTIHJMCELLCLL-QWRGUYRKSA-N -1 3 277.364 3.137 20 0 CGADHM Cc1cccc(C(=O)NC[C@@H]2CCCC(F)(F)C2)c1[O-] ZINC000436499027 534606419 /nfs/dbraw/zinc/60/64/19/534606419.db2.gz YKBKWZPVYBVYAO-LLVKDONJSA-N -1 3 283.318 3.256 20 0 CGADHM Cc1cccc(C(=O)Nc2ccc(CO)c(Cl)c2)c1[O-] ZINC000436984224 534624729 /nfs/dbraw/zinc/62/47/29/534624729.db2.gz YVTFTSNEHREWIL-UHFFFAOYSA-N -1 3 291.734 3.099 20 0 CGADHM Cc1cccc(C(=O)Nc2ccc(Cl)cc2[O-])c1O ZINC000436735044 534624765 /nfs/dbraw/zinc/62/47/65/534624765.db2.gz BRPRLZAMOSXDNE-UHFFFAOYSA-N -1 3 277.707 3.312 20 0 CGADHM Cc1cncc(-c2noc(-c3cc(-c4ccco4)n[n-]3)n2)c1 ZINC000355850691 534667137 /nfs/dbraw/zinc/66/71/37/534667137.db2.gz YMFMDPWGSWZEHW-UHFFFAOYSA-N -1 3 293.286 3.090 20 0 CGADHM Cc1cncc(-c2noc(-c3cc(-c4ccco4)[n-]n3)n2)c1 ZINC000355850691 534667140 /nfs/dbraw/zinc/66/71/40/534667140.db2.gz YMFMDPWGSWZEHW-UHFFFAOYSA-N -1 3 293.286 3.090 20 0 CGADHM O=C(Cc1cccc(C2CC2)c1)NCc1ccc([O-])c(F)c1 ZINC000412123160 534724764 /nfs/dbraw/zinc/72/47/64/534724764.db2.gz LDFJOUJKIOTBJF-UHFFFAOYSA-N -1 3 299.345 3.268 20 0 CGADHM C[C@H](c1ccccc1F)[S@](=O)c1ccc([O-])cc1 ZINC000108085793 526119658 /nfs/dbraw/zinc/11/96/58/526119658.db2.gz HKYSFNLYFZNTNI-MLCYQJTMSA-N -1 3 264.321 3.400 20 0 CGADHM CC(C)(C)OC1CC(CCNC(=O)c2ccccc2[O-])C1 ZINC000436844725 526540273 /nfs/dbraw/zinc/54/02/73/526540273.db2.gz AENSBDHMVPLIMW-UHFFFAOYSA-N -1 3 291.391 3.106 20 0 CGADHM CC(C)(C)[C@H](CNCc1ccc(Cl)o1)CC(=O)[O-] ZINC000417551941 526697237 /nfs/dbraw/zinc/69/72/37/526697237.db2.gz BOEKSKNXXQGULI-VIFPVBQESA-N -1 3 273.760 3.160 20 0 CGADHM CC(C)(C)c1nc(CNCC2(CC(=O)[O-])CCC2)cs1 ZINC000426650233 526865880 /nfs/dbraw/zinc/86/58/80/526865880.db2.gz AKXYTFPBKKCREJ-UHFFFAOYSA-N -1 3 296.436 3.175 20 0 CGADHM CC(C)(CNC(=O)c1c([O-])cccc1O)C1CCCC1 ZINC000436648359 527159131 /nfs/dbraw/zinc/15/91/31/527159131.db2.gz PTXSUJNNRMDHPG-UHFFFAOYSA-N -1 3 277.364 3.044 20 0 CGADHM CC(=O)c1ccc(C(=O)N(C)[C@H]2CCC[C@@H](C)C2)cc1[O-] ZINC000411358691 527234616 /nfs/dbraw/zinc/23/46/16/527234616.db2.gz TTYWWDYNJGUYPA-RISCZKNCSA-N -1 3 289.375 3.246 20 0 CGADHM CC(=O)c1ccc(C(=O)NCC(C)(C)C2CCC2)cc1[O-] ZINC000412376702 527251425 /nfs/dbraw/zinc/25/14/25/527251425.db2.gz IRSFGGADVACTOO-UHFFFAOYSA-N -1 3 289.375 3.151 20 0 CGADHM CC(=O)c1ccc(C(=O)N[C@@H]2CCC[C@H](C)CC2)cc1[O-] ZINC000412278339 527261771 /nfs/dbraw/zinc/26/17/71/527261771.db2.gz ONUSEGDRTKOYFW-SMDDNHRTSA-N -1 3 289.375 3.293 20 0 CGADHM CC(=O)c1ccc(C(=O)N[C@H]2CCCC(C)(C)C2)cc1[O-] ZINC000412283923 527264229 /nfs/dbraw/zinc/26/42/29/527264229.db2.gz YJPPSEVVLPAKPB-ZDUSSCGKSA-N -1 3 289.375 3.293 20 0 CGADHM CC(=O)c1ccc(C(=O)N[C@H]2CCC[C@@H](C)CC2)cc1[O-] ZINC000412278338 527265836 /nfs/dbraw/zinc/26/58/36/527265836.db2.gz ONUSEGDRTKOYFW-RISCZKNCSA-N -1 3 289.375 3.293 20 0 CGADHM CC(=O)c1ccc(C(=O)Nc2ccc(F)c(C)c2)cc1[O-] ZINC000436625658 527268690 /nfs/dbraw/zinc/26/86/90/527268690.db2.gz FUGNLVXFRGWXKK-UHFFFAOYSA-N -1 3 287.290 3.295 20 0 CGADHM CC(C)(C)C[C@H](NCc1ccc(F)cc1Cl)C(=O)[O-] ZINC000426801102 527702077 /nfs/dbraw/zinc/70/20/77/527702077.db2.gz RYEVDFDOHGTOSQ-LBPRGKRZSA-N -1 3 287.762 3.458 20 0 CGADHM CC1(C)C[C@H](CN=c2[n-]cc(C(F)(F)F)s2)CCO1 ZINC000413336205 527726257 /nfs/dbraw/zinc/72/62/57/527726257.db2.gz MITVKSFJBJLBHW-MRVPVSSYSA-N -1 3 294.342 3.201 20 0 CGADHM CCCN(CC(C)C)C(=O)c1cc(CC)ccc1[O-] ZINC000436759935 527926858 /nfs/dbraw/zinc/92/68/58/527926858.db2.gz ITRRPCNHSRTFSC-UHFFFAOYSA-N -1 3 263.381 3.463 20 0 CGADHM CC(C)c1ccc(C(=O)N(C)Cc2ccc[nH]2)c([O-])c1 ZINC000436575644 528059274 /nfs/dbraw/zinc/05/92/74/528059274.db2.gz OPJDAVUHSOOMCT-UHFFFAOYSA-N -1 3 272.348 3.116 20 0 CGADHM CC(C)c1ccc(C(=O)N2CC[C@@H](C)[C@@H]2C)c([O-])c1 ZINC000436570450 528065224 /nfs/dbraw/zinc/06/52/24/528065224.db2.gz QKHORULMYSSTSR-NEPJUHHUSA-N -1 3 261.365 3.386 20 0 CGADHM CCCCCN(CCO)C(=O)c1ccc(C(C)C)cc1[O-] ZINC000436913053 528177263 /nfs/dbraw/zinc/17/72/63/528177263.db2.gz XWGAEABXZOTESK-UHFFFAOYSA-N -1 3 293.407 3.140 20 0 CGADHM CCOC(=O)c1ccc(NC(=O)C(C)(C)C(C)C)c([O-])c1 ZINC000439746490 528230794 /nfs/dbraw/zinc/23/07/94/528230794.db2.gz QBBXHBBDACBHEI-UHFFFAOYSA-N -1 3 293.363 3.190 20 0 CGADHM CC(C)[C@@H](C(=O)[O-])[C@@H](C)NCc1ccc(Cl)cc1F ZINC000424623754 528375838 /nfs/dbraw/zinc/37/58/38/528375838.db2.gz QAGOJFSQHHEERY-NOZJJQNGSA-N -1 3 287.762 3.314 20 0 CGADHM CC(C)[C@@H](C)N(C)C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436754794 528404993 /nfs/dbraw/zinc/40/49/93/528404993.db2.gz KOUNDKOEXDNZOW-LLVKDONJSA-N -1 3 291.391 3.222 20 0 CGADHM CCC(=O)c1ccc([O-])c(NC(=O)C(C)C(F)(F)F)c1 ZINC000436660079 528461113 /nfs/dbraw/zinc/46/11/13/528461113.db2.gz UGBLQUFEMKNAHQ-SSDOTTSWSA-N -1 3 289.253 3.122 20 0 CGADHM CCCN[C@H](C)C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000423716326 528559151 /nfs/dbraw/zinc/55/91/51/528559151.db2.gz WSSCJMDKRFVOPJ-SSDOTTSWSA-N -1 3 291.178 3.026 20 0 CGADHM CCCCOc1ccc(C(=O)N(C)C(C)C)c([O-])c1 ZINC000190092536 528658025 /nfs/dbraw/zinc/65/80/25/528658025.db2.gz DEAMRAPVBGAFIA-UHFFFAOYSA-N -1 3 265.353 3.052 20 0 CGADHM CCOc1nc(C)ccc1-c1nc(-c2ccc([O-])cc2)no1 ZINC000436568090 528772258 /nfs/dbraw/zinc/77/22/58/528772258.db2.gz VMQWXGGWPUZVNC-UHFFFAOYSA-N -1 3 297.314 3.211 20 0 CGADHM CCCn1c(=O)[n-]nc1SCCCCC(F)(F)F ZINC000162036906 528822523 /nfs/dbraw/zinc/82/25/23/528822523.db2.gz ZVEHOICHZMQJTQ-UHFFFAOYSA-N -1 3 283.319 3.218 20 0 CGADHM CC[C@H](C)n1ncc(C(=O)Nc2ccc(C)cc2[O-])c1C ZINC000358129223 529291313 /nfs/dbraw/zinc/29/13/13/529291313.db2.gz RBJZETYTIYTXCN-NSHDSACASA-N -1 3 287.363 3.429 20 0 CGADHM CC[C@H](CC(F)(F)F)NC(=O)c1ccc([O-])c(C)c1 ZINC000436976017 529316329 /nfs/dbraw/zinc/31/63/29/529316329.db2.gz AIUJOSQKTNNZTR-SNVBAGLBSA-N -1 3 275.270 3.161 20 0 CGADHM CC1(C2([N-]S(=O)(=O)c3ccc(Cl)s3)CC2)CC1 ZINC000451994637 535104316 /nfs/dbraw/zinc/10/43/16/535104316.db2.gz MJUGZURVBKDVGB-UHFFFAOYSA-N -1 3 291.825 3.013 20 0 CGADHM CC(C)(C)c1ccc(NC(=O)/C=C/[C@@H]2CCOC2)c([O-])c1 ZINC000493510781 535117917 /nfs/dbraw/zinc/11/79/17/535117917.db2.gz HOXORSJFGVYHEG-RPTYSRGTSA-N -1 3 289.375 3.221 20 0 CGADHM CC(C)(C)c1ccc(NC(=O)C=Cc2c[nH]cn2)c([O-])c1 ZINC000492905284 535118032 /nfs/dbraw/zinc/11/80/32/535118032.db2.gz ZNNWDHYNDPZHML-FNORWQNLSA-N -1 3 285.347 3.065 20 0 CGADHM CC1(CNCc2cccc([O-])c2Br)CCC1 ZINC000315225212 535153595 /nfs/dbraw/zinc/15/35/95/535153595.db2.gz ISEINCIGZGBOLG-UHFFFAOYSA-N -1 3 284.197 3.435 20 0 CGADHM CCC(=O)c1cccc(NCc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000417027425 535347184 /nfs/dbraw/zinc/34/71/84/535347184.db2.gz TUWXPRWAGDVAAJ-UHFFFAOYSA-N -1 3 297.358 3.264 20 0 CGADHM CC[C@H](C)c1cc(C(=O)[N-]c2nc(C)cs2)on1 ZINC000128819507 536021285 /nfs/dbraw/zinc/02/12/85/536021285.db2.gz WEVLBNUWYBFMBD-ZETCQYMHSA-N -1 3 265.338 3.205 20 0 CGADHM COc1ccc(Cl)cc1CN(C)CC1(CC(=O)[O-])CC1 ZINC000514866925 536555681 /nfs/dbraw/zinc/55/56/81/536555681.db2.gz NOMSPODJUPCELV-UHFFFAOYSA-N -1 3 297.782 3.035 20 0 CGADHM CO[C@@H]1C[C@@H](NCc2cccc([O-])c2Cl)C12CCC2 ZINC000459732383 536796705 /nfs/dbraw/zinc/79/67/05/536796705.db2.gz FWYPFEDJLQYIDH-CHWSQXEVSA-N -1 3 281.783 3.093 20 0 CGADHM COc1ccc([O-])c(C(=O)N2C[C@H](C(C)C)[C@H]2C(C)C)c1 ZINC000456308259 536818800 /nfs/dbraw/zinc/81/88/00/536818800.db2.gz YKQSMRVFCHOSQB-GDBMZVCRSA-N -1 3 291.391 3.153 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2ccc(Cl)nc2)c1 ZINC000729269586 571894162 /nfs/dbraw/zinc/89/41/62/571894162.db2.gz ZUIAXFXRARSKPM-UHFFFAOYSA-N -1 3 276.723 3.255 20 0 CGADHM Cc1ccc(CN(C)[C@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC000738593886 571899350 /nfs/dbraw/zinc/89/93/50/571899350.db2.gz FADQTVZYZKQKIV-INIZCTEOSA-N -1 3 287.334 3.392 20 0 CGADHM Cc1nc(C)c(COC(=O)c2ccc(Cl)cc2[O-])s1 ZINC000729654410 571928270 /nfs/dbraw/zinc/92/82/70/571928270.db2.gz KYCCZDBTDROCGY-UHFFFAOYSA-N -1 3 297.763 3.476 20 0 CGADHM C[C@@H](N=c1ncnc2[nH][n-]cc1-2)c1csc2ccccc12 ZINC000729986688 571939623 /nfs/dbraw/zinc/93/96/23/571939623.db2.gz RDTYVHXYZQKUKG-SECBINFHSA-N -1 3 295.371 3.114 20 0 CGADHM CCN(C(=O)c1cccc([O-])c1)c1ccccc1C ZINC000019838777 572329731 /nfs/dbraw/zinc/32/97/31/572329731.db2.gz ZRPQHMUZLONRCU-UHFFFAOYSA-N -1 3 255.317 3.367 20 0 CGADHM Cc1cccc(C)c1CNc1ccc(-c2nnn[n-]2)cc1 ZINC000737387931 572339464 /nfs/dbraw/zinc/33/94/64/572339464.db2.gz ISCFEFLKKUWNRR-UHFFFAOYSA-N -1 3 279.347 3.096 20 0 CGADHM Cc1cccc(C)c1CNc1ccc(-c2nn[n-]n2)cc1 ZINC000737387931 572339467 /nfs/dbraw/zinc/33/94/67/572339467.db2.gz ISCFEFLKKUWNRR-UHFFFAOYSA-N -1 3 279.347 3.096 20 0 CGADHM CN(Cc1cccc(F)c1)[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000737487280 572347280 /nfs/dbraw/zinc/34/72/80/572347280.db2.gz UKRCBNGRDSARKB-HNNXBMFYSA-N -1 3 291.297 3.223 20 0 CGADHM Cc1cccc2c1CC[C@@H]2N[C@H](C(=O)[O-])c1ccccc1 ZINC000738310126 572370961 /nfs/dbraw/zinc/37/09/61/572370961.db2.gz BSXBUMBRVUSRFE-IRXDYDNUSA-N -1 3 281.355 3.398 20 0 CGADHM Cc1cccc2c1CCN([C@H](C(=O)[O-])c1ccc(F)cc1)C2 ZINC000738747999 572390835 /nfs/dbraw/zinc/39/08/35/572390835.db2.gz NXWDMSJBLJPFPS-KRWDZBQOSA-N -1 3 299.345 3.318 20 0 CGADHM C[C@H](NC(=O)[O-])C1CCN(Cc2cccc(Cl)c2)CC1 ZINC000739015255 572397493 /nfs/dbraw/zinc/39/74/93/572397493.db2.gz MWLFZYFIDLRNNP-NSHDSACASA-N -1 3 296.798 3.208 20 0 CGADHM C[C@H](c1cccc(Cl)c1)N1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000739055669 572400839 /nfs/dbraw/zinc/40/08/39/572400839.db2.gz HPIRIZVMVXBWEI-NEPJUHHUSA-N -1 3 296.798 3.333 20 0 CGADHM C[C@@H](NCCNC(=O)[O-])c1cc2cc(Cl)ccc2o1 ZINC000739037273 572415432 /nfs/dbraw/zinc/41/54/32/572415432.db2.gz WYSKXDFDFBYUNJ-MRVPVSSYSA-N -1 3 282.727 3.004 20 0 CGADHM C[C@@H](OC(=O)c1cncc([O-])c1)c1ccccc1Cl ZINC000732391508 572462123 /nfs/dbraw/zinc/46/21/23/572462123.db2.gz JBSTVBNFVTVJIQ-SECBINFHSA-N -1 3 277.707 3.359 20 0 CGADHM O=C(OCCCc1ccc(Cl)cc1)c1cncc([O-])c1 ZINC000740959298 572472454 /nfs/dbraw/zinc/47/24/54/572472454.db2.gz DPBSXTJSXKGXEH-UHFFFAOYSA-N -1 3 291.734 3.230 20 0 CGADHM CC[C@@H](c1ccc(F)cc1)N1CCC(NC(=O)[O-])CC1 ZINC000739279539 572540997 /nfs/dbraw/zinc/54/09/97/572540997.db2.gz RUJSZAMMXFIHQI-AWEZNQCLSA-N -1 3 280.343 3.009 20 0 CGADHM Cc1ccc([C@H](C)c2nc(-c3ccc([O-])cc3)no2)o1 ZINC000743272470 572644830 /nfs/dbraw/zinc/64/48/30/572644830.db2.gz XEDJAXWLTRPAGX-JTQLQIEISA-N -1 3 270.288 3.495 20 0 CGADHM Cc1ccc(F)c(S(=O)(=O)[N-]C[C@H](C)C(C)(C)C)c1 ZINC000734498622 572661091 /nfs/dbraw/zinc/66/10/91/572661091.db2.gz QHIQHVVAZLRMOT-NSHDSACASA-N -1 3 287.400 3.095 20 0 CGADHM C[C@H](Sc1ccccn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736193199 572771579 /nfs/dbraw/zinc/77/15/79/572771579.db2.gz QGZRPIIDBKYJKJ-JTQLQIEISA-N -1 3 283.360 3.115 20 0 CGADHM C[C@H](Sc1ccccn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736193199 572771580 /nfs/dbraw/zinc/77/15/80/572771580.db2.gz QGZRPIIDBKYJKJ-JTQLQIEISA-N -1 3 283.360 3.115 20 0 CGADHM CCC(CC)Nc1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC000736346299 572783800 /nfs/dbraw/zinc/78/38/00/572783800.db2.gz XOFHFEDIGCLXIN-UHFFFAOYSA-N -1 3 299.300 3.486 20 0 CGADHM CCC(CC)Nc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000736346299 572783803 /nfs/dbraw/zinc/78/38/03/572783803.db2.gz XOFHFEDIGCLXIN-UHFFFAOYSA-N -1 3 299.300 3.486 20 0 CGADHM CCCCCSCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736451954 572794574 /nfs/dbraw/zinc/79/45/74/572794574.db2.gz SRPQJDFEBNRFCU-UHFFFAOYSA-N -1 3 292.408 3.169 20 0 CGADHM CCCCCSCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736451954 572794578 /nfs/dbraw/zinc/79/45/78/572794578.db2.gz SRPQJDFEBNRFCU-UHFFFAOYSA-N -1 3 292.408 3.169 20 0 CGADHM C[C@H](N[C@H](COCc1ccccc1)c1ccccc1)C(=O)[O-] ZINC000736661068 572802931 /nfs/dbraw/zinc/80/29/31/572802931.db2.gz DADNUIUXMJWPRF-WMLDXEAASA-N -1 3 299.370 3.007 20 0 CGADHM CCc1ccc(CCNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736684168 572804399 /nfs/dbraw/zinc/80/43/99/572804399.db2.gz VOSWPTHEYRDOCJ-UHFFFAOYSA-N -1 3 293.374 3.084 20 0 CGADHM CCc1ccc(CCNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736684168 572804400 /nfs/dbraw/zinc/80/44/00/572804400.db2.gz VOSWPTHEYRDOCJ-UHFFFAOYSA-N -1 3 293.374 3.084 20 0 CGADHM CCCC[C@H](N[C@@H](C)c1cc(F)ccc1OC)C(=O)[O-] ZINC000736981905 572831521 /nfs/dbraw/zinc/83/15/21/572831521.db2.gz KDSUWNSMQRNCKS-GWCFXTLKSA-N -1 3 283.343 3.128 20 0 CGADHM O=C1[N-]C(=O)/C(=C\C=C/c2ccc(F)cc2)c2ccccc21 ZINC000747696700 572941734 /nfs/dbraw/zinc/94/17/34/572941734.db2.gz SOVPFLHYPPIOCJ-XDZCSQBPSA-N -1 3 293.297 3.193 20 0 CGADHM C/C(=C\C(=O)[N-]OCC(C)C)c1ccccc1Cl ZINC000750028410 573075907 /nfs/dbraw/zinc/07/59/07/573075907.db2.gz QDUZGKABYCGHMX-DHZHZOJOSA-N -1 3 267.756 3.447 20 0 CGADHM CC(C)CO[N-]C(=O)Nc1ccc(OCC(F)F)cc1 ZINC000750333607 573111954 /nfs/dbraw/zinc/11/19/54/573111954.db2.gz XWCAUVUVABDJQB-UHFFFAOYSA-N -1 3 288.294 3.040 20 0 CGADHM CC(=O)c1ccc(Oc2nc3ccccc3c(=O)[n-]2)cc1 ZINC000750530988 573146425 /nfs/dbraw/zinc/14/64/25/573146425.db2.gz WLCJYSBWOMBMKU-UHFFFAOYSA-N -1 3 280.283 3.330 20 0 CGADHM Clc1ccc(-c2nn[n-]n2)c(N[C@H]2CC=CCC2)c1 ZINC000737570729 599443743 /nfs/dbraw/zinc/44/37/43/599443743.db2.gz LNLDJJVPLLGWRR-JTQLQIEISA-N -1 3 275.743 3.041 20 0 CGADHM c1cc(-c2nnn[n-]2)ccc1SCC1CCCC1 ZINC000823742384 599126859 /nfs/dbraw/zinc/12/68/59/599126859.db2.gz DXNCTUCRASTOQC-UHFFFAOYSA-N -1 3 260.366 3.149 20 0 CGADHM c1cc(-c2nn[n-]n2)ccc1SCC1CCCC1 ZINC000823742384 599126860 /nfs/dbraw/zinc/12/68/60/599126860.db2.gz DXNCTUCRASTOQC-UHFFFAOYSA-N -1 3 260.366 3.149 20 0 CGADHM CC(C)[C@H](C)SCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000820020122 599129319 /nfs/dbraw/zinc/12/93/19/599129319.db2.gz BSXMCNQUZNLCFI-NSHDSACASA-N -1 3 292.408 3.023 20 0 CGADHM c1ccc(OCCSc2ccccc2-c2nnn[n-]2)cc1 ZINC000823792056 599203326 /nfs/dbraw/zinc/20/33/26/599203326.db2.gz OEOYJMAQORDHNC-UHFFFAOYSA-N -1 3 298.371 3.038 20 0 CGADHM c1ccc(OCCSc2ccccc2-c2nn[n-]n2)cc1 ZINC000823792056 599203327 /nfs/dbraw/zinc/20/33/27/599203327.db2.gz OEOYJMAQORDHNC-UHFFFAOYSA-N -1 3 298.371 3.038 20 0 CGADHM C[C@H](NCc1ccc(C(=O)[O-])cc1)c1ccnc(Cl)c1 ZINC000818051961 597244614 /nfs/dbraw/zinc/24/46/14/597244614.db2.gz CLRBNCXGKPGACS-JTQLQIEISA-N -1 3 290.750 3.284 20 0 CGADHM Clc1cccc(-c2nnn[n-]2)c1N1CCCCCCC1 ZINC000737576077 598629485 /nfs/dbraw/zinc/62/94/85/598629485.db2.gz TULDSXHEIXDLHK-UHFFFAOYSA-N -1 3 291.786 3.291 20 0 CGADHM Clc1cccc(-c2nn[n-]n2)c1N1CCCCCCC1 ZINC000737576077 598629487 /nfs/dbraw/zinc/62/94/87/598629487.db2.gz TULDSXHEIXDLHK-UHFFFAOYSA-N -1 3 291.786 3.291 20 0 CGADHM Clc1ccc(NCc2ccccc2)cc1-c1nnn[n-]1 ZINC000737574216 598700571 /nfs/dbraw/zinc/70/05/71/598700571.db2.gz MJGXYPCKYRRYGG-UHFFFAOYSA-N -1 3 285.738 3.132 20 0 CGADHM Clc1ccc(NCc2ccccc2)cc1-c1nn[n-]n1 ZINC000737574216 598700573 /nfs/dbraw/zinc/70/05/73/598700573.db2.gz MJGXYPCKYRRYGG-UHFFFAOYSA-N -1 3 285.738 3.132 20 0 CGADHM C/C(=C/CN(Cc1ccc(Cl)cc1)C1CC1)C(=O)[O-] ZINC000825729982 601157653 /nfs/dbraw/zinc/15/76/53/601157653.db2.gz OYRUJKUMGRDSAF-FLIBITNWSA-N -1 3 279.767 3.335 20 0 CGADHM COc1cccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821872026 599363516 /nfs/dbraw/zinc/36/35/16/599363516.db2.gz HRTMRZIAGAKLCH-NSHDSACASA-N -1 3 295.346 3.048 20 0 CGADHM COc1cccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821872026 599363517 /nfs/dbraw/zinc/36/35/17/599363517.db2.gz HRTMRZIAGAKLCH-NSHDSACASA-N -1 3 295.346 3.048 20 0 CGADHM Clc1ccc(-c2nnn[n-]2)c(N[C@H]2CC=CCC2)c1 ZINC000737570729 599443740 /nfs/dbraw/zinc/44/37/40/599443740.db2.gz LNLDJJVPLLGWRR-JTQLQIEISA-N -1 3 275.743 3.041 20 0 CGADHM CN(CC1CCCCC1)c1ccc(F)cc1-c1nnn[n-]1 ZINC000821596230 599469075 /nfs/dbraw/zinc/46/90/75/599469075.db2.gz DVNMSTGBMGAWFL-UHFFFAOYSA-N -1 3 289.358 3.022 20 0 CGADHM CN(CC1CCCCC1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000821596230 599469076 /nfs/dbraw/zinc/46/90/76/599469076.db2.gz DVNMSTGBMGAWFL-UHFFFAOYSA-N -1 3 289.358 3.022 20 0 CGADHM CC(C)CCc1nc(CN[C@@](C)(C(=O)[O-])C2CC2)cs1 ZINC000826861497 601037915 /nfs/dbraw/zinc/03/79/15/601037915.db2.gz VYICPDXBCIRKMZ-OAHLLOKOSA-N -1 3 296.436 3.075 20 0 CGADHM CC(C)c1ccc(CN(C)[C@@H](C(=O)[O-])c2cccnc2)cc1 ZINC000833510606 604861891 /nfs/dbraw/zinc/86/18/91/604861891.db2.gz ZYAGNYRPHJBNSD-QGZVFWFLSA-N -1 3 298.386 3.463 20 0 CGADHM C[C@@H]1c2ccccc2CN1c1ccc(-c2nn[n-]n2)cc1F ZINC000820827884 606137499 /nfs/dbraw/zinc/13/74/99/606137499.db2.gz YNKNVGHIRNCXAQ-SNVBAGLBSA-N -1 3 295.321 3.087 20 0 CGADHM CCCC(CCC)Sc1ncccc1-c1nnn[n-]1 ZINC000821020701 606430444 /nfs/dbraw/zinc/43/04/44/606430444.db2.gz GTNZLMWQTYLSQJ-UHFFFAOYSA-N -1 3 277.397 3.323 20 0 CGADHM CCCC(CCC)Sc1ncccc1-c1nn[n-]n1 ZINC000821020701 606430445 /nfs/dbraw/zinc/43/04/45/606430445.db2.gz GTNZLMWQTYLSQJ-UHFFFAOYSA-N -1 3 277.397 3.323 20 0 CGADHM CC[C@H](C)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820875450 606438444 /nfs/dbraw/zinc/43/84/44/606438444.db2.gz ALEMAJHYBLDKOP-ZETCQYMHSA-N -1 3 285.273 3.096 20 0 CGADHM CC[C@H](C)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820875450 606438446 /nfs/dbraw/zinc/43/84/46/606438446.db2.gz ALEMAJHYBLDKOP-ZETCQYMHSA-N -1 3 285.273 3.096 20 0 CGADHM CC[C@H](C)CSc1ccc(-c2nnn[n-]2)cc1F ZINC000820869807 606705483 /nfs/dbraw/zinc/70/54/83/606705483.db2.gz IZLPSHSPTRGYPM-QMMMGPOBSA-N -1 3 266.345 3.144 20 0 CGADHM CC[C@H](C)CSc1ccc(-c2nn[n-]n2)cc1F ZINC000820869807 606705484 /nfs/dbraw/zinc/70/54/84/606705484.db2.gz IZLPSHSPTRGYPM-QMMMGPOBSA-N -1 3 266.345 3.144 20 0 CGADHM CC[C@H](C)CSc1cccc(F)c1-c1nnn[n-]1 ZINC000820870257 606799073 /nfs/dbraw/zinc/79/90/73/606799073.db2.gz PVGYCJXCRVVADP-QMMMGPOBSA-N -1 3 266.345 3.144 20 0 CGADHM Cc1ccc(C)c(NCc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000822232272 606926483 /nfs/dbraw/zinc/92/64/83/606926483.db2.gz ZHVGKPMFQJCFPB-UHFFFAOYSA-N -1 3 297.337 3.235 20 0 CGADHM Cc1ccc(C)c(NCc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000822232272 606926485 /nfs/dbraw/zinc/92/64/85/606926485.db2.gz ZHVGKPMFQJCFPB-UHFFFAOYSA-N -1 3 297.337 3.235 20 0 CGADHM FC(F)(F)CSc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826367922 607843824 /nfs/dbraw/zinc/84/38/24/607843824.db2.gz UPLJHLAJYKCBMS-UHFFFAOYSA-N -1 3 294.689 3.175 20 0 CGADHM FC(F)(F)CSc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826367922 607843825 /nfs/dbraw/zinc/84/38/25/607843825.db2.gz UPLJHLAJYKCBMS-UHFFFAOYSA-N -1 3 294.689 3.175 20 0 CGADHM C[C@H](Nc1cccc(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824662844 609160694 /nfs/dbraw/zinc/16/06/94/609160694.db2.gz SFXFSUOAPZZQHV-JTQLQIEISA-N -1 3 283.310 3.179 20 0 CGADHM C[C@H](Nc1cccc(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824662844 609160696 /nfs/dbraw/zinc/16/06/96/609160696.db2.gz SFXFSUOAPZZQHV-JTQLQIEISA-N -1 3 283.310 3.179 20 0 CGADHM CCc1ccc(CNc2cc(-c3nnn[n-]3)ccc2C)s1 ZINC000825712681 609478835 /nfs/dbraw/zinc/47/88/35/609478835.db2.gz UZQWFFULZBRQCZ-UHFFFAOYSA-N -1 3 299.403 3.411 20 0 CGADHM CCc1ccc(CNc2cc(-c3nn[n-]n3)ccc2C)s1 ZINC000825712681 609478837 /nfs/dbraw/zinc/47/88/37/609478837.db2.gz UZQWFFULZBRQCZ-UHFFFAOYSA-N -1 3 299.403 3.411 20 0 CGADHM CC(C)CC(=O)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000160699488 618129632 /nfs/dbraw/zinc/12/96/32/618129632.db2.gz LHDRPVRUONNLAZ-UHFFFAOYSA-N -1 3 275.270 3.299 20 0 CGADHM O=c1cc(N2CCC[C@@H]2c2nc3ccccc3s2)nc[n-]1 ZINC000891475055 618230209 /nfs/dbraw/zinc/23/02/09/618230209.db2.gz CLGVSHOOPDTXBV-LLVKDONJSA-N -1 3 298.371 3.133 20 0 CGADHM CC(C)(C)c1nc(C(=O)[N-]c2noc3c2CCCC3)co1 ZINC000900787591 620812551 /nfs/dbraw/zinc/81/25/51/620812551.db2.gz FHMYOVCQDIMOBH-UHFFFAOYSA-N -1 3 289.335 3.091 20 0 CGADHM CN(Cc1ccco1)Cc1c([O-])cccc1Cl ZINC000162164117 618741191 /nfs/dbraw/zinc/74/11/91/618741191.db2.gz OJJDVWUWGYXKPK-UHFFFAOYSA-N -1 3 251.713 3.271 20 0 CGADHM Cc1cc(Cl)ccc1CN1CCC(CC(=O)[O-])CC1 ZINC000235785724 618825657 /nfs/dbraw/zinc/82/56/57/618825657.db2.gz XPBLUROYSGDWRL-UHFFFAOYSA-N -1 3 281.783 3.335 20 0 CGADHM COCC[C@@H](C)OC(=O)c1cccc2[n-]c(C(F)F)nc21 ZINC000924080394 618848913 /nfs/dbraw/zinc/84/89/13/618848913.db2.gz SMGCDBUTNGXQHW-MRVPVSSYSA-N -1 3 298.289 3.082 20 0 CGADHM O=C(c1cc([O-])ccc1Cl)N1CCCCCCC1 ZINC000236605121 618904331 /nfs/dbraw/zinc/90/43/31/618904331.db2.gz DBESXIGLZORDEO-UHFFFAOYSA-N -1 3 267.756 3.452 20 0 CGADHM CCc1ccc([O-])c(C(=O)N(Cc2ccccc2)OC)c1 ZINC000180827072 619020166 /nfs/dbraw/zinc/02/01/66/619020166.db2.gz ANPUCCJDKNFFKH-UHFFFAOYSA-N -1 3 285.343 3.158 20 0 CGADHM CC1(C)CC[C@H](COC(=O)c2cc(Cl)c(Cl)[n-]2)O1 ZINC000190653976 619101665 /nfs/dbraw/zinc/10/16/65/619101665.db2.gz DYIGIVPOLAOOND-SSDOTTSWSA-N -1 3 292.162 3.436 20 0 CGADHM CO[C@@H]1Cc2ccc(NCc3ccc([O-])c(F)c3)cc2C1 ZINC000893520971 619201676 /nfs/dbraw/zinc/20/16/76/619201676.db2.gz MFTISGGQXFJCCE-OAHLLOKOSA-N -1 3 287.334 3.257 20 0 CGADHM c1c2ccccc2oc1CNc1cccc(-c2nnn[n-]2)c1 ZINC000095186824 619274968 /nfs/dbraw/zinc/27/49/68/619274968.db2.gz ZRHYGKFEOJWJBU-UHFFFAOYSA-N -1 3 291.314 3.225 20 0 CGADHM c1c2ccccc2oc1CNc1cccc(-c2nn[n-]n2)c1 ZINC000095186824 619274970 /nfs/dbraw/zinc/27/49/70/619274970.db2.gz ZRHYGKFEOJWJBU-UHFFFAOYSA-N -1 3 291.314 3.225 20 0 CGADHM COc1cc(NCc2ccc([O-])c(F)c2)cc(OC)c1C ZINC000894600381 619584026 /nfs/dbraw/zinc/58/40/26/619584026.db2.gz GFQUGDRXFPJSMJ-UHFFFAOYSA-N -1 3 291.322 3.469 20 0 CGADHM [O-]c1ccc(F)c(CN2CC[C@@H](c3nccs3)C2)c1F ZINC000895583888 619854510 /nfs/dbraw/zinc/85/45/10/619854510.db2.gz ZWKZJNWADWXRSC-SECBINFHSA-N -1 3 296.342 3.116 20 0 CGADHM [O-]c1ccc(F)c(CN2CCC3(CCCCO3)CC2)c1F ZINC000895652984 619867147 /nfs/dbraw/zinc/86/71/47/619867147.db2.gz BOZCUKSYUYDDCB-UHFFFAOYSA-N -1 3 297.345 3.206 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])[C@H]1CCOC2(CCC2)C1 ZINC000895845087 619893726 /nfs/dbraw/zinc/89/37/26/619893726.db2.gz HNLVFUACZZADSB-JTQLQIEISA-N -1 3 295.766 3.333 20 0 CGADHM Cc1nocc1Cc1noc(-c2ccc(C(C)C)cc2[O-])n1 ZINC000896746970 620055090 /nfs/dbraw/zinc/05/50/90/620055090.db2.gz XXBOTBYMJQFSMS-UHFFFAOYSA-N -1 3 299.330 3.453 20 0 CGADHM CC(C)(CCC(=O)[N-]OCc1ccccn1)c1ccccc1 ZINC000909546068 620087712 /nfs/dbraw/zinc/08/77/12/620087712.db2.gz OEFVEZANLMUPHH-UHFFFAOYSA-N -1 3 298.386 3.387 20 0 CGADHM Cc1ncc(CO)c(C=Nc2cccc(Cl)c2C)c1[O-] ZINC000263630791 620355387 /nfs/dbraw/zinc/35/53/87/620355387.db2.gz HYZXPWCELBPLIE-UHFFFAOYSA-N -1 3 290.750 3.300 20 0 CGADHM O=C(OCc1ccc(Cl)nc1)c1cc2occc2[n-]1 ZINC000786033387 620394102 /nfs/dbraw/zinc/39/41/02/620394102.db2.gz JLVYQZLIPOAZRP-UHFFFAOYSA-N -1 3 276.679 3.166 20 0 CGADHM O=C(Nc1cnn(C2CCC2)c1)N([O-])Cc1ccccc1 ZINC000898035692 620471030 /nfs/dbraw/zinc/47/10/30/620471030.db2.gz WMEGCMQHCONSIE-UHFFFAOYSA-N -1 3 286.335 3.031 20 0 CGADHM Cc1cccc(CO[N-]C(=O)C2(C)CCC(F)(F)CC2)n1 ZINC000898928930 620608575 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ZINC000903703384 621793460 /nfs/dbraw/zinc/79/34/60/621793460.db2.gz BCOZWNBLGPSYAH-CQSZACIVSA-N -1 3 288.372 3.082 20 0 CGADHM C[C@@H]1C[C@H](C)N(Cc2ccncc2Cl)[C@@H](C)[C@@H]1C(=O)[O-] ZINC000903952663 621842186 /nfs/dbraw/zinc/84/21/86/621842186.db2.gz SWQLTSFEJDZCJT-YAMSLAJTSA-N -1 3 296.798 3.055 20 0 CGADHM CCCCCCN([O-])C(=O)Nc1cnn(C(C)C)c1 ZINC000904197718 621888626 /nfs/dbraw/zinc/88/86/26/621888626.db2.gz MJTXNOVSIGIMJO-UHFFFAOYSA-N -1 3 268.361 3.267 20 0 CGADHM CCCCNC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000905042426 622029641 /nfs/dbraw/zinc/02/96/41/622029641.db2.gz CPBVJQUEFDPVOU-UHFFFAOYSA-N -1 3 299.396 3.020 20 0 CGADHM CC[C@](C)(NCc1ccc(C(=O)[O-])cn1)c1ccccc1 ZINC000905723831 622100479 /nfs/dbraw/zinc/10/04/79/622100479.db2.gz HYFSFDFXRQIZPI-KRWDZBQOSA-N -1 3 284.359 3.195 20 0 CGADHM CCC[C@H](C)c1noc(-c2cc(=O)[n-]c(C3CC3)n2)n1 ZINC000906103843 622151102 /nfs/dbraw/zinc/15/11/02/622151102.db2.gz ZZODYIXCVYGMRK-QMMMGPOBSA-N -1 3 274.324 3.013 20 0 CGADHM CC(C)(CC(=O)Nc1[nH][n-]c2cc(=O)ccc1-2)CC(F)F ZINC000908336919 622343106 /nfs/dbraw/zinc/34/31/06/622343106.db2.gz YVYAOAAEFLOVEQ-UHFFFAOYSA-N -1 3 297.305 3.279 20 0 CGADHM Cc1oc(C(=O)[O-])cc1CN[C@@H](C)c1ccccc1 ZINC000232424446 623387691 /nfs/dbraw/zinc/38/76/91/623387691.db2.gz QOWYGKYLYWAMMP-JTQLQIEISA-N -1 3 259.305 3.137 20 0 CGADHM Cc1nc(C)c(CC(=O)OCCCCCC(C)C)c(=O)[n-]1 ZINC000842391713 623421839 /nfs/dbraw/zinc/42/18/39/623421839.db2.gz CKTXESYJWCSHKA-UHFFFAOYSA-N -1 3 294.395 3.101 20 0 CGADHM O=C(OCCC[C@@H]1CCOC1)c1cc(Cl)c(Cl)[n-]1 ZINC000828682735 623485580 /nfs/dbraw/zinc/48/55/80/623485580.db2.gz BVAASQQYPCHCNH-MRVPVSSYSA-N -1 3 292.162 3.295 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)c2ccc(F)cc2C)o1 ZINC000921566245 625681537 /nfs/dbraw/zinc/68/15/37/625681537.db2.gz LLUAFMZQDGUWKE-NSHDSACASA-N -1 3 297.351 3.075 20 0 CGADHM Cc1ccc(-c2cc(C(=O)Oc3ccccc3)n[n-]2)o1 ZINC000916852010 624220380 /nfs/dbraw/zinc/22/03/80/624220380.db2.gz BFNIZRJOVSVWRA-UHFFFAOYSA-N -1 3 268.272 3.197 20 0 CGADHM Cc1ccc(-c2cc(C(=O)Oc3ccccc3)[n-]n2)o1 ZINC000916852010 624220381 /nfs/dbraw/zinc/22/03/81/624220381.db2.gz BFNIZRJOVSVWRA-UHFFFAOYSA-N -1 3 268.272 3.197 20 0 CGADHM CCCC1(C(=O)[N-]OCc2ccc(F)cc2)CCC1 ZINC000754712915 626583757 /nfs/dbraw/zinc/58/37/57/626583757.db2.gz AOPYHFPMNGKMAP-UHFFFAOYSA-N -1 3 265.328 3.344 20 0 CGADHM O=C(OCc1nc2cc(F)ccc2o1)c1ccc([O-])cc1 ZINC000757024473 626748268 /nfs/dbraw/zinc/74/82/68/626748268.db2.gz QGTXJZFNQIXHAE-UHFFFAOYSA-N -1 3 287.246 3.030 20 0 CGADHM Cc1ccc(-c2cc(C(=O)OCC3CC(F)(F)C3)n[n-]2)o1 ZINC000835493011 634526357 /nfs/dbraw/zinc/52/63/57/634526357.db2.gz OFSZEKICKVLGAC-UHFFFAOYSA-N -1 3 296.273 3.180 20 0 CGADHM Cc1ccc(-c2cc(C(=O)OCC3CC(F)(F)C3)[n-]n2)o1 ZINC000835493011 634526362 /nfs/dbraw/zinc/52/63/62/634526362.db2.gz OFSZEKICKVLGAC-UHFFFAOYSA-N -1 3 296.273 3.180 20 0 CGADHM CCC[C@@H](C)c1noc(-c2cc(OC)ccc2[O-])n1 ZINC000761856885 627067654 /nfs/dbraw/zinc/06/76/54/627067654.db2.gz WHUXTORTMORKET-SECBINFHSA-N -1 3 262.309 3.354 20 0 CGADHM Cc1cc(=O)[n-]c(CN2CCC(c3ccccc3C)CC2)n1 ZINC000761872916 627069843 /nfs/dbraw/zinc/06/98/43/627069843.db2.gz GKOZDWHCSLDTEW-UHFFFAOYSA-N -1 3 297.402 3.179 20 0 CGADHM C[C@H]1CCc2ccccc2[C@@H]1[N-]C(=O)C(F)(F)C(F)F ZINC000762720222 627122013 /nfs/dbraw/zinc/12/20/13/627122013.db2.gz BIKBWSFKDLRICY-GZMMTYOYSA-N -1 3 289.272 3.327 20 0 CGADHM Cc1ccc(SCCC[N-]C(=O)C(F)(F)F)cc1C ZINC000762773099 627123567 /nfs/dbraw/zinc/12/35/67/627123567.db2.gz RDCVQAGVQPPBIU-UHFFFAOYSA-N -1 3 291.338 3.464 20 0 CGADHM COc1ccc(C=Cc2nccc(=O)[n-]2)c(Cl)c1OC ZINC000764436408 627207382 /nfs/dbraw/zinc/20/73/82/627207382.db2.gz TYTURZMENRERQB-XQRVVYSFSA-N -1 3 292.722 3.023 20 0 CGADHM Cc1cnc([C@@H](C)OC(=O)c2cc3ccsc3[n-]2)o1 ZINC000770925418 627657997 /nfs/dbraw/zinc/65/79/97/627657997.db2.gz JXRYZKVAGSNEMK-MRVPVSSYSA-N -1 3 276.317 3.444 20 0 CGADHM CCOCCO[N-]C(=O)CC1CCC(C(C)(C)C)CC1 ZINC000772695006 627816515 /nfs/dbraw/zinc/81/65/15/627816515.db2.gz FVBLYQDYAHJTJM-UHFFFAOYSA-N -1 3 285.428 3.313 20 0 CGADHM O=C(N[C@H]1CC12CCC2)c1cc2sccc2c([O-])c1 ZINC000874781233 634610793 /nfs/dbraw/zinc/61/07/93/634610793.db2.gz WJUXJUBCMOZFQK-ZDUSSCGKSA-N -1 3 273.357 3.279 20 0 CGADHM C[C@@H](COC(=O)c1cccc(Cl)c1[O-])C(F)(F)F ZINC000775935145 628150987 /nfs/dbraw/zinc/15/09/87/628150987.db2.gz UQWVXHQPBOBQAN-LURJTMIESA-N -1 3 282.645 3.401 20 0 CGADHM O=C(CCC(=O)c1cccs1)[N-]OC1CCCCC1 ZINC000777960100 628314518 /nfs/dbraw/zinc/31/45/18/628314518.db2.gz PUJJUTZWNNAEEJ-UHFFFAOYSA-N -1 3 281.377 3.092 20 0 CGADHM CSc1ccccc1CC(=O)[N-]OC1CCCCC1 ZINC000777960366 628314962 /nfs/dbraw/zinc/31/49/62/628314962.db2.gz DYVMLXMSYMCUSL-UHFFFAOYSA-N -1 3 279.405 3.332 20 0 CGADHM Cc1nonc1C(=O)[N-]c1ncc(C2CCCCC2)s1 ZINC000782483466 628649213 /nfs/dbraw/zinc/64/92/13/628649213.db2.gz UQCASQZPVSLMHE-UHFFFAOYSA-N -1 3 292.364 3.135 20 0 CGADHM Cc1nc(COC(=O)c2cc3occc3[n-]2)sc1C ZINC000786030179 628908719 /nfs/dbraw/zinc/90/87/19/628908719.db2.gz DNSCFXWCRBZSHN-UHFFFAOYSA-N -1 3 276.317 3.191 20 0 CGADHM O=C(OCCCCCF)c1cccc(Cl)c1[O-] ZINC000792104111 629337433 /nfs/dbraw/zinc/33/74/33/629337433.db2.gz KOWYIKGLBRXQNR-UHFFFAOYSA-N -1 3 260.692 3.342 20 0 CGADHM Cc1cccc(CC(=O)[N-]OCc2ccccc2)c1Cl ZINC000792576894 629367861 /nfs/dbraw/zinc/36/78/61/629367861.db2.gz BJWMJISTFKVICZ-UHFFFAOYSA-N -1 3 289.762 3.439 20 0 CGADHM COc1ccccc1CC(C)(C)C(=O)[N-]OC/C=C/Cl ZINC000794307270 629531608 /nfs/dbraw/zinc/53/16/08/629531608.db2.gz ZKMQRKNSVWTICK-RMKNXTFCSA-N -1 3 297.782 3.064 20 0 CGADHM C[C@@H]1C[C@@H]1CO[N-]C(=O)Cc1cccc2ccccc21 ZINC000863457393 629576214 /nfs/dbraw/zinc/57/62/14/629576214.db2.gz FLPJREWJUHWURN-IUODEOHRSA-N -1 3 269.344 3.086 20 0 CGADHM Cc1ccc(CC(=O)[N-]OCc2ccccc2C)cc1 ZINC000119943701 629800687 /nfs/dbraw/zinc/80/06/87/629800687.db2.gz NMHZPFNEFHYWNH-UHFFFAOYSA-N -1 3 269.344 3.094 20 0 CGADHM COc1ccccc1CO[N-]C(=O)CCc1cccc(C)c1 ZINC000799092819 630141969 /nfs/dbraw/zinc/14/19/69/630141969.db2.gz BPGUHZQJPBQSFT-UHFFFAOYSA-N -1 3 299.370 3.184 20 0 CGADHM CO[C@H](CSCc1nc(C)cc(=O)[n-]1)c1ccccc1 ZINC000802751309 630407992 /nfs/dbraw/zinc/40/79/92/630407992.db2.gz IHDSFQSSGJESFO-CYBMUJFWSA-N -1 3 290.388 3.112 20 0 CGADHM O=C(OC[C@@H]1CCCO1)c1cc2cc(Cl)sc2[n-]1 ZINC000810538549 630887972 /nfs/dbraw/zinc/88/79/72/630887972.db2.gz FSXAWHBPUFPPQK-QMMMGPOBSA-N -1 3 285.752 3.219 20 0 CGADHM C[C@@H](CC(=O)[N-]OC/C=C\Cl)C1CCCCC1 ZINC000812403066 631246393 /nfs/dbraw/zinc/24/63/93/631246393.db2.gz NBSHNPVNDMLIHF-OFSNVTPPSA-N -1 3 259.777 3.393 20 0 CGADHM Cc1ccc2c(CCC(=O)[N-]OC/C=C/Cl)c[nH]c2c1 ZINC000812405274 631247248 /nfs/dbraw/zinc/24/72/48/631247248.db2.gz UXHOQJXWSCTQSW-FARCUNLSSA-N -1 3 292.766 3.209 20 0 CGADHM O=C(OCc1cncc(C(F)(F)F)c1)c1ccc([O-])cc1 ZINC000812574839 631274397 /nfs/dbraw/zinc/27/43/97/631274397.db2.gz ZYBYFXKWYFYASQ-UHFFFAOYSA-N -1 3 297.232 3.163 20 0 CGADHM O=C(CC12CC3CC(CC(C3)C1)C2)[N-]OC1CCC1 ZINC000812790967 631310752 /nfs/dbraw/zinc/31/07/52/631310752.db2.gz DJFYKFZVXMNHLO-UHFFFAOYSA-N -1 3 263.381 3.193 20 0 CGADHM Cc1ccc(CCC(=O)[N-]OC2CCC2)cc1Cl ZINC000812796199 631313825 /nfs/dbraw/zinc/31/38/25/631313825.db2.gz UFSBXCQVXOUJPW-UHFFFAOYSA-N -1 3 267.756 3.181 20 0 CGADHM O=C(OCCC1CCOCC1)c1cc(Cl)c(Cl)[n-]1 ZINC000814439851 631581392 /nfs/dbraw/zinc/58/13/92/631581392.db2.gz OXYLFWIFLRGZPE-UHFFFAOYSA-N -1 3 292.162 3.295 20 0 CGADHM COc1ccc(NCc2c(F)ccc([O-])c2F)cc1 ZINC000816522492 632004089 /nfs/dbraw/zinc/00/40/89/632004089.db2.gz BLKPACLUKISMFL-UHFFFAOYSA-N -1 3 265.259 3.291 20 0 CGADHM CCn1ccc(CN(C)Cc2c(F)ccc([O-])c2F)c1 ZINC000816591166 632018788 /nfs/dbraw/zinc/01/87/88/632018788.db2.gz WTIIYDUEIYFWMW-UHFFFAOYSA-N -1 3 280.318 3.124 20 0 CGADHM CCc1ccc(C(=O)CCC(=O)[N-]OCCC2CC2)cc1 ZINC000817408353 632139667 /nfs/dbraw/zinc/13/96/67/632139667.db2.gz SHNSDYCRAPZXGC-UHFFFAOYSA-N -1 3 289.375 3.060 20 0 CGADHM CC[C@@H](CC(=O)[N-]OCCC1CC1)c1ccccc1 ZINC000817425748 632151827 /nfs/dbraw/zinc/15/18/27/632151827.db2.gz LUOUYMWREAGMNC-AWEZNQCLSA-N -1 3 261.365 3.418 20 0 CGADHM Cc1ccc(C(=O)CCC(=O)[N-]OCCC2CC2)cc1C ZINC000817430215 632154052 /nfs/dbraw/zinc/15/40/52/632154052.db2.gz VKRUEOJJRHTOML-UHFFFAOYSA-N -1 3 289.375 3.114 20 0 CGADHM Cc1ccccc1[C@@H]1CCCN1C(=O)c1ccc(N)cc1[O-] ZINC000817915164 632235001 /nfs/dbraw/zinc/23/50/01/632235001.db2.gz HXYATAJBHQFEOB-INIZCTEOSA-N -1 3 296.370 3.260 20 0 CGADHM CCC[C@H]1CCCC[C@H]1NC(=O)c1ccc(N)cc1[O-] ZINC000817933586 632236770 /nfs/dbraw/zinc/23/67/70/632236770.db2.gz LCNJYQFYBCDOJX-SMDDNHRTSA-N -1 3 276.380 3.063 20 0 CGADHM Nc1ccc(C(=O)N2CCC(C3CCCC3)CC2)c([O-])c1 ZINC000817955267 632250229 /nfs/dbraw/zinc/25/02/29/632250229.db2.gz UROQYLZAFSFKLK-UHFFFAOYSA-N -1 3 288.391 3.017 20 0 CGADHM CC(C)CCC1CCN(C(=O)c2ccc(N)cc2[O-])CC1 ZINC000817963496 632258498 /nfs/dbraw/zinc/25/84/98/632258498.db2.gz SLKZTMSJJYWYGW-UHFFFAOYSA-N -1 3 290.407 3.263 20 0 CGADHM C[C@H]1CCc2ccccc2[C@H]1NC(=O)c1ccc(N)cc1[O-] ZINC000817997313 632275505 /nfs/dbraw/zinc/27/55/05/632275505.db2.gz NLFJDZKWWZNOSH-GTNSWQLSSA-N -1 3 296.370 3.028 20 0 CGADHM O=C(C=Cc1cccc(F)c1)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000820218237 632591079 /nfs/dbraw/zinc/59/10/79/632591079.db2.gz IKTHARUPAOLIJJ-QPJJXVBHSA-N -1 3 297.289 3.060 20 0 CGADHM CCc1noc(C)c1[N-]C(=O)c1sc(Cl)nc1C ZINC000121114437 633172477 /nfs/dbraw/zinc/17/24/77/633172477.db2.gz DSPHJUDRVOKOBY-UHFFFAOYSA-N -1 3 285.756 3.216 20 0 CGADHM O=C(c1cc2sccc2c([O-])c1)N1CC[C@H]1C(F)F ZINC000868606212 633341932 /nfs/dbraw/zinc/34/19/32/633341932.db2.gz PZKZSTMNSNAMNK-VIFPVBQESA-N -1 3 283.299 3.087 20 0 CGADHM CCO[C@H](C(=O)Nc1cccc([O-])c1F)C1CCCC1 ZINC000867059594 633679260 /nfs/dbraw/zinc/67/92/60/633679260.db2.gz YJQFOTGUUJEDKD-AWEZNQCLSA-N -1 3 281.327 3.065 20 0 CGADHM O=C(CCC1CCCC1)[N-]OCCCC(F)(F)F ZINC000871210179 633727214 /nfs/dbraw/zinc/72/72/14/633727214.db2.gz WZGLGMXOULZWEH-UHFFFAOYSA-N -1 3 267.291 3.347 20 0 CGADHM C[C@H]1CC[C@H](CC(=O)[N-]OCCCC(F)(F)F)C1 ZINC000871212751 633729418 /nfs/dbraw/zinc/72/94/18/633729418.db2.gz BNGYLZQGRPFJIU-UWVGGRQHSA-N -1 3 267.291 3.203 20 0 CGADHM C[C@@H]1CN(Cc2ccoc2C(=O)[O-])Cc2ccccc21 ZINC000871620716 633804568 /nfs/dbraw/zinc/80/45/68/633804568.db2.gz JHOIPSYQJYQTIT-LLVKDONJSA-N -1 3 271.316 3.097 20 0 CGADHM CCc1[n-]n([C@@H]2CCOC3(CCCC3)C2)c(=O)c1C(C)C ZINC000871964559 633931838 /nfs/dbraw/zinc/93/18/38/633931838.db2.gz SWFHREIVFKMGER-HIFRSBDPSA-N -1 3 292.423 3.359 20 0 CGADHM CCCC[C@@](C)(F)C(=O)Nc1cccc([O-])c1F ZINC000831395323 633952160 /nfs/dbraw/zinc/95/21/60/633952160.db2.gz SNUHBSZRZMPCPH-CYBMUJFWSA-N -1 3 257.280 3.388 20 0 CGADHM COC[C@H](N[C@H](C)c1cccc([O-])c1F)c1ccc(C)o1 ZINC000872041166 633962896 /nfs/dbraw/zinc/96/28/96/633962896.db2.gz QJFHIAJADMFXLU-YPMHNXCESA-N -1 3 293.338 3.471 20 0 CGADHM C[C@H](N[C@H]1C[C@@H](O)c2ccccc21)c1cccc([O-])c1F ZINC000872085725 634011752 /nfs/dbraw/zinc/01/17/52/634011752.db2.gz PDSDIWUTQZLPKG-JMPLFQLZSA-N -1 3 287.334 3.360 20 0 CGADHM C[C@H](N[C@@H](C)c1cccc([O-])c1F)c1ccns1 ZINC000872089642 634015195 /nfs/dbraw/zinc/01/51/95/634015195.db2.gz BGONRALEBYPYPB-IUCAKERBSA-N -1 3 266.341 3.400 20 0 CGADHM CO[C@@H]1CC[C@@H](C)N(Cc2c(Cl)cccc2C(=O)[O-])C1 ZINC000872161716 634070705 /nfs/dbraw/zinc/07/07/05/634070705.db2.gz ZVEOLQGYDQRKTD-GHMZBOCLSA-N -1 3 297.782 3.038 20 0 CGADHM Cc1ccc(CN2C[C@@H](C)C(F)(F)[C@@H](C)C2)cc1C(=O)[O-] ZINC000872161714 634070774 /nfs/dbraw/zinc/07/07/74/634070774.db2.gz ZTSZLXGFTPLWEP-TXEJJXNPSA-N -1 3 297.345 3.416 20 0 CGADHM CO[C@H]1CC[C@@H](C)N(Cc2c(Cl)cccc2C(=O)[O-])C1 ZINC000872161717 634071093 /nfs/dbraw/zinc/07/10/93/634071093.db2.gz ZVEOLQGYDQRKTD-MNOVXSKESA-N -1 3 297.782 3.038 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)C[C@H]1CSc2ccccc2O1 ZINC000832740635 634089096 /nfs/dbraw/zinc/08/90/96/634089096.db2.gz XGXVUOQHGHBULE-RYUDHWBXSA-N -1 3 295.404 3.024 20 0 CGADHM Cc1nc(C)c(C)c(NCc2ccc([O-])c(Cl)c2)n1 ZINC000872726876 634197691 /nfs/dbraw/zinc/19/76/91/634197691.db2.gz WZQSSSLLYOYWIC-UHFFFAOYSA-N -1 3 277.755 3.373 20 0 CGADHM C[C@@H]1CCCC[C@@]1(C)NC(=O)c1nnc2ccccc2c1[O-] ZINC000837254663 634877441 /nfs/dbraw/zinc/87/74/41/634877441.db2.gz RJMRQDBWGMXWGU-PIGZYNQJSA-N -1 3 299.374 3.034 20 0 CGADHM C[C@H]1CCCC[C@@]1(C)NC(=O)c1nnc2ccccc2c1[O-] ZINC000837254657 634877785 /nfs/dbraw/zinc/87/77/85/634877785.db2.gz RJMRQDBWGMXWGU-APPDUMDISA-N -1 3 299.374 3.034 20 0 CGADHM CC(C)(C)O[C@H]1C[C@@H](NCc2c(F)ccc([O-])c2F)C1 ZINC000843429038 635672827 /nfs/dbraw/zinc/67/28/27/635672827.db2.gz SWUASDQSNLVGAF-AOOOYVTPSA-N -1 3 285.334 3.106 20 0 CGADHM CCCO[N-]C(=O)CCCc1ncc(-c2ccccc2)o1 ZINC000844081881 635816224 /nfs/dbraw/zinc/81/62/24/635816224.db2.gz FUMSZDPPKXFKOT-UHFFFAOYSA-N -1 3 288.347 3.122 20 0 CGADHM C[C@@H]1SCC[C@@H]1NC(=O)c1cc2sccc2c([O-])c1 ZINC000844104349 635822900 /nfs/dbraw/zinc/82/29/00/635822900.db2.gz BFCJCQPXXFBEHE-KWQFWETISA-N -1 3 293.413 3.231 20 0 CGADHM C[C@@H](O)[C@@H]([N-]c1nnc(C(C)(C)C)o1)c1ccccc1F ZINC000882522970 636348108 /nfs/dbraw/zinc/34/81/08/636348108.db2.gz GRGUVYFJBDVWLT-BXKDBHETSA-N -1 3 293.342 3.040 20 0 CGADHM CC(C)(C)CC(=O)[N-]OC[C@H]1CC(C)(C)OC1(C)C ZINC000882992912 636496378 /nfs/dbraw/zinc/49/63/78/636496378.db2.gz YADYTSONYDFDQT-LLVKDONJSA-N -1 3 271.401 3.064 20 0 CGADHM CC1(C)C[C@H](COc2ccc3c([O-])coc3c2)C(C)(C)O1 ZINC000883015409 636506077 /nfs/dbraw/zinc/50/60/77/636506077.db2.gz RHEGFWPABSRQAB-LLVKDONJSA-N -1 3 290.359 3.234 20 0 CGADHM O=C(CCCc1c(F)cccc1F)[N-]OC/C=C/Cl ZINC000848105594 636530309 /nfs/dbraw/zinc/53/03/09/636530309.db2.gz XJSPMSXEPPJSLP-FPYGCLRLSA-N -1 3 289.709 3.088 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)CCCc1ccc(F)cc1 ZINC000848120832 636532542 /nfs/dbraw/zinc/53/25/42/636532542.db2.gz PRIIUNVFLBFVCZ-GFCCVEGCSA-N -1 3 267.344 3.242 20 0 CGADHM CC(C)O[N-]C(=O)CCc1c(Cl)cccc1Cl ZINC000848162829 636536310 /nfs/dbraw/zinc/53/63/10/636536310.db2.gz SMZATLLZNIXPRF-UHFFFAOYSA-N -1 3 276.163 3.382 20 0 CGADHM COc1ccc2c(c1)CN(Cc1c(F)ccc([O-])c1F)C2 ZINC000848926566 636698604 /nfs/dbraw/zinc/69/86/04/636698604.db2.gz ZQZZHABZYVXBEQ-UHFFFAOYSA-N -1 3 291.297 3.195 20 0 CGADHM Cc1noc(C2CC2)c1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000133441634 636899251 /nfs/dbraw/zinc/89/92/51/636899251.db2.gz SUAXPOKDKJHTBE-UHFFFAOYSA-N -1 3 292.722 3.472 20 0 CGADHM C[C@@H](CCc1ccccc1)OC(=O)c1cccc2nn[n-]c21 ZINC000800205287 636956583 /nfs/dbraw/zinc/95/65/83/636956583.db2.gz GNACCYMHNAEHEB-LBPRGKRZSA-N -1 3 295.342 3.136 20 0 CGADHM C[C@@H](CCc1ccccc1)OC(=O)c1cccc2[n-]nnc21 ZINC000800205287 636956586 /nfs/dbraw/zinc/95/65/86/636956586.db2.gz GNACCYMHNAEHEB-LBPRGKRZSA-N -1 3 295.342 3.136 20 0 CGADHM C[C@@H](CCc1ccccc1)OC(=O)c1cccc2n[n-]nc21 ZINC000800205287 636956589 /nfs/dbraw/zinc/95/65/89/636956589.db2.gz GNACCYMHNAEHEB-LBPRGKRZSA-N -1 3 295.342 3.136 20 0 CGADHM O=C(/C=C/c1ccc(Cl)cc1)Nc1ncccc1[O-] ZINC000218394096 637412719 /nfs/dbraw/zinc/41/27/19/637412719.db2.gz WZGWUPDWLUZSEI-VMPITWQZSA-N -1 3 274.707 3.093 20 0 CGADHM CSc1cccc(CO[N-]C(=O)CC(C)(C)C)c1 ZINC000853706769 637898019 /nfs/dbraw/zinc/89/80/19/637898019.db2.gz QASRECWQENGWMR-UHFFFAOYSA-N -1 3 267.394 3.393 20 0 CGADHM O=C(CC[C@H]1CC1(Cl)Cl)[N-]OCc1ccccc1 ZINC000854290290 638038857 /nfs/dbraw/zinc/03/88/57/638038857.db2.gz QFZICZBNUOMNRD-NSHDSACASA-N -1 3 288.174 3.208 20 0 CGADHM C[C@H]1C[C@H]1c1ccc(CCC(=O)[N-]OCC2CCC2)o1 ZINC000856344361 638346188 /nfs/dbraw/zinc/34/61/88/638346188.db2.gz IUZUBQWFCBDXDB-SMDDNHRTSA-N -1 3 277.364 3.184 20 0 CGADHM O=C(Cc1cc(Cl)ccc1Cl)[N-]OCC1CCC1 ZINC000856347122 638347504 /nfs/dbraw/zinc/34/75/04/638347504.db2.gz ZHXYRPODQHFTEJ-UHFFFAOYSA-N -1 3 288.174 3.384 20 0 CGADHM Cc1ccc(CCCC(=O)[N-]OCC2CCC2)cc1 ZINC000856346013 638347715 /nfs/dbraw/zinc/34/77/15/638347715.db2.gz VQYWNKGWAQEMLX-UHFFFAOYSA-N -1 3 261.365 3.166 20 0 CGADHM C[C@]1(C(=O)[N-]OCC2CCC2)CCc2ccccc2C1 ZINC000856348125 638348720 /nfs/dbraw/zinc/34/87/20/638348720.db2.gz QEXWTZSXIINDBS-KRWDZBQOSA-N -1 3 273.376 3.030 20 0 CGADHM O=C(OCCCCF)c1cc([O-])cc(Br)c1 ZINC000860202508 639309106 /nfs/dbraw/zinc/30/91/06/639309106.db2.gz UFHFXVVNNXYDSS-UHFFFAOYSA-N -1 3 291.116 3.061 20 0 CGADHM CSc1ccc(/C=C/C(=O)[N-]OCC(F)(F)F)s1 ZINC000860201155 639309365 /nfs/dbraw/zinc/30/93/65/639309365.db2.gz HCSXQUIVQTWUPJ-DUXPYHPUSA-N -1 3 297.323 3.093 20 0 CGADHM O=C(CC1CCC(F)(F)CC1)[N-]OC1CCCC1 ZINC000860602773 639381793 /nfs/dbraw/zinc/38/17/93/639381793.db2.gz WIEBJKOVMGVQLG-UHFFFAOYSA-N -1 3 261.312 3.192 20 0 CGADHM O=C(Nc1ncccc1[O-])c1ccccc1C1CCC1 ZINC000935336340 639791445 /nfs/dbraw/zinc/79/14/45/639791445.db2.gz MIAGCVDOVVUAQD-UHFFFAOYSA-N -1 3 268.316 3.307 20 0 CGADHM CO[N-]C(=O)C1(Cc2cccc(Cl)c2)CCCC1 ZINC000159850331 640071961 /nfs/dbraw/zinc/07/19/61/640071961.db2.gz GTLOWYQKAPTYPV-UHFFFAOYSA-N -1 3 267.756 3.121 20 0 CGADHM CC(C)c1ccc(C(=O)NN=c2cccn[n-]2)cc1Cl ZINC000189550959 640198124 /nfs/dbraw/zinc/19/81/24/640198124.db2.gz ZVYSHRDVKLOCLU-UHFFFAOYSA-N -1 3 290.754 3.010 20 0 CGADHM Cc1ccc(C(=O)Nc2cc(=O)c(Cl)c[nH]2)c([O-])c1C ZINC001155399501 805578176 /nfs/dbraw/zinc/57/81/76/805578176.db2.gz UAHSFJOKZXRASA-UHFFFAOYSA-N -1 3 292.722 3.015 20 0 CGADHM [O-]c1ccc(-c2nc3c([nH]2)c(F)cc(F)c3F)c(F)c1 ZINC001250845750 805787975 /nfs/dbraw/zinc/78/79/75/805787975.db2.gz JKFQJWVJVFEUKX-UHFFFAOYSA-N -1 3 282.196 3.492 20 0 CGADHM [O-]c1ccc(-c2nc3cc4c(cc3[nH]2)CCO4)c(F)c1 ZINC001250845635 805788326 /nfs/dbraw/zinc/78/83/26/805788326.db2.gz HNLABVBDKCRLJM-UHFFFAOYSA-N -1 3 270.263 3.010 20 0 CGADHM [O-]c1c(Cl)c(Cl)ccc1NC[C@H](O)C(F)(F)F ZINC001250984911 805818753 /nfs/dbraw/zinc/81/87/53/805818753.db2.gz PAFGKUNATXHXEE-LURJTMIESA-N -1 3 290.068 3.034 20 0 CGADHM COc1ccc2c(c1)nc(-c1cc([O-])cc(F)c1)n2C ZINC001251569757 805908232 /nfs/dbraw/zinc/90/82/32/805908232.db2.gz MGVKBSAPYXIJFZ-UHFFFAOYSA-N -1 3 272.279 3.094 20 0 CGADHM C=Cc1ccc([N-]S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC001251924333 805954164 /nfs/dbraw/zinc/95/41/64/805954164.db2.gz XEYORCYCOPSRPW-UHFFFAOYSA-N -1 3 289.356 3.139 20 0 CGADHM CCc1ccc(C(=O)NCc2cc(C)cs2)c([O-])c1 ZINC001158721065 805989088 /nfs/dbraw/zinc/98/90/88/805989088.db2.gz WMXLGPFREONJSS-UHFFFAOYSA-N -1 3 275.373 3.255 20 0 CGADHM Cc1cc2ccccc2nc1NCc1ncccc1[O-] ZINC001158770775 806001359 /nfs/dbraw/zinc/00/13/59/806001359.db2.gz MDHIHRJOBIELQG-UHFFFAOYSA-N -1 3 265.316 3.256 20 0 CGADHM CCOc1ccc(-c2nnc(-c3cc(Cl)n[n-]3)o2)cc1 ZINC001252111134 806002040 /nfs/dbraw/zinc/00/20/40/806002040.db2.gz VRQWGJYASKJZCA-UHFFFAOYSA-N -1 3 290.710 3.179 20 0 CGADHM Fc1ccc(-c2nnc(-c3cnc(C(F)(F)F)[n-]3)o2)cc1 ZINC001252240285 806033659 /nfs/dbraw/zinc/03/36/59/806033659.db2.gz VLNKTAMUDXHDMJ-UHFFFAOYSA-N -1 3 298.199 3.285 20 0 CGADHM Fc1ccc(-c2nnc(-c3c[n-]c(C(F)(F)F)n3)o2)cc1 ZINC001252240285 806033667 /nfs/dbraw/zinc/03/36/67/806033667.db2.gz VLNKTAMUDXHDMJ-UHFFFAOYSA-N -1 3 298.199 3.285 20 0 CGADHM O=C(Nc1c([O-])cccc1Cl)c1cnc2cnccc2c1 ZINC001159657102 806142560 /nfs/dbraw/zinc/14/25/60/806142560.db2.gz JCGMAPBJXVRTHH-UHFFFAOYSA-N -1 3 299.717 3.241 20 0 CGADHM COc1c(F)cc([N-]c2nnc(C(C)(C)C)o2)cc1F ZINC001211673859 814929864 /nfs/dbraw/zinc/92/98/64/814929864.db2.gz ATTGTFPUTWSGOL-UHFFFAOYSA-N -1 3 283.278 3.398 20 0 CGADHM Cc1cccc(-c2nnc(-c3cc(Cl)n[n-]3)o2)c1 ZINC001253687978 806278425 /nfs/dbraw/zinc/27/84/25/806278425.db2.gz BAIXZLRTZPDIBF-UHFFFAOYSA-N -1 3 260.684 3.089 20 0 CGADHM [O-]c1cc(Cl)ccc1-n1cc(-c2cccs2)nn1 ZINC001254165057 806356390 /nfs/dbraw/zinc/35/63/90/806356390.db2.gz JOTXNMMBACQQPE-UHFFFAOYSA-N -1 3 277.736 3.355 20 0 CGADHM Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C(C)C ZINC000108459764 798982657 /nfs/dbraw/zinc/98/26/57/798982657.db2.gz PLGQEPUFMJWZKK-LBPRGKRZSA-N -1 3 250.729 3.335 20 0 CGADHM O=C(Oc1cccc2c1OCCC2)c1ccc(F)c([O-])c1 ZINC001163158437 806709055 /nfs/dbraw/zinc/70/90/55/806709055.db2.gz WIGJYMBJRKUQRP-UHFFFAOYSA-N -1 3 288.274 3.076 20 0 CGADHM COc1ccc(Cl)cc1CN1CC[C@H](C(=O)[O-])C[C@@H]1C ZINC000234846442 799142971 /nfs/dbraw/zinc/14/29/71/799142971.db2.gz UFRPRSQLMZJRNL-QWRGUYRKSA-N -1 3 297.782 3.034 20 0 CGADHM Cc1ccc(SCCC(=O)[N-]OC(C)C)cc1C ZINC000379012831 799346644 /nfs/dbraw/zinc/34/66/44/799346644.db2.gz OOCVORDUSBWOLY-UHFFFAOYSA-N -1 3 267.394 3.242 20 0 CGADHM C[C@H](CCC1CC1)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC000398133047 799527349 /nfs/dbraw/zinc/52/73/49/799527349.db2.gz WQINEONVFCIQEZ-BDAKNGLRSA-N -1 3 268.382 3.071 20 0 CGADHM COc1cccc([O-])c1C(=O)NCCCCCCSC ZINC000405389888 799583533 /nfs/dbraw/zinc/58/35/33/799583533.db2.gz GCXSSHVDZNKNTA-UHFFFAOYSA-N -1 3 297.420 3.054 20 0 CGADHM C[C@@H](NCc1csc(C(=O)[O-])c1)c1ccsc1 ZINC000689143881 799760953 /nfs/dbraw/zinc/76/09/53/799760953.db2.gz HKQGJSGYGJTRGQ-MRVPVSSYSA-N -1 3 267.375 3.359 20 0 CGADHM Cc1cc(O)cc(NC(=O)c2cc([O-])ccc2Cl)c1 ZINC000705575634 799950966 /nfs/dbraw/zinc/95/09/66/799950966.db2.gz OAGDKOXRYHYOQH-UHFFFAOYSA-N -1 3 277.707 3.312 20 0 CGADHM C[C@H]1CC[C@H](NC(=O)Nc2ccc([O-])c(F)c2)CC1 ZINC000705742731 799952703 /nfs/dbraw/zinc/95/27/03/799952703.db2.gz QCBFQANFYOMRAM-MGCOHNPYSA-N -1 3 266.316 3.232 20 0 CGADHM CS[C@@H]1CC[C@@H](N(C)C(=O)c2c(C)cccc2[O-])C1 ZINC000706637589 799963833 /nfs/dbraw/zinc/96/38/33/799963833.db2.gz PGJMFGGNERMUJZ-VXGBXAGGSA-N -1 3 279.405 3.057 20 0 CGADHM C[C@@H](N[C@@H](C)CC1CCC1)c1ncc(C(=O)[O-])s1 ZINC000710270397 800031558 /nfs/dbraw/zinc/03/15/58/800031558.db2.gz FQMDOLWSHZGWJQ-DTWKUNHWSA-N -1 3 268.382 3.071 20 0 CGADHM C[C@H](CC1CCCC1)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC000712524352 800092094 /nfs/dbraw/zinc/09/20/94/800092094.db2.gz RMBYAASDRZUDHF-ZJUUUORDSA-N -1 3 282.409 3.461 20 0 CGADHM C[C@@H]1C[C@@H]1c1nnc(-c2cc(O)c3ccccc3c2[O-])o1 ZINC001256626122 806929986 /nfs/dbraw/zinc/92/99/86/806929986.db2.gz QDMIGVAANFQCCO-KCJUWKMLSA-N -1 3 282.299 3.424 20 0 CGADHM C[C@@H]1C[C@@H]1c1nnc(-c2c([O-])cnc3ccccc32)o1 ZINC001256634984 806934539 /nfs/dbraw/zinc/93/45/39/806934539.db2.gz PUHPEBSQVDCFJT-SCZZXKLOSA-N -1 3 267.288 3.114 20 0 CGADHM COc1cccc(COC(=O)c2cccc(Cl)c2[O-])c1 ZINC001124280007 803009764 /nfs/dbraw/zinc/00/97/64/803009764.db2.gz NTVVVRRTGRALMA-UHFFFAOYSA-N -1 3 292.718 3.411 20 0 CGADHM CCN(CC)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC001243880802 803060699 /nfs/dbraw/zinc/06/06/99/803060699.db2.gz IYGSKVNXFYXAFR-UHFFFAOYSA-N -1 3 293.374 3.380 20 0 CGADHM CCN(CC)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC001243880802 803060706 /nfs/dbraw/zinc/06/07/06/803060706.db2.gz IYGSKVNXFYXAFR-UHFFFAOYSA-N -1 3 293.374 3.380 20 0 CGADHM CN1CCc2cccc(-c3c([O-])cccc3Cl)c2C1=O ZINC001244047911 803160727 /nfs/dbraw/zinc/16/07/27/803160727.db2.gz MCHADVUZOOVYDF-UHFFFAOYSA-N -1 3 287.746 3.341 20 0 CGADHM CSc1ncc(-c2c([O-])cccc2Cl)cn1 ZINC001244049990 803161878 /nfs/dbraw/zinc/16/18/78/803161878.db2.gz GVSVCSAJFSTOMK-UHFFFAOYSA-N -1 3 252.726 3.225 20 0 CGADHM CCCOc1cc(F)ccc1-c1cccc(-c2nnn[n-]2)c1 ZINC001244358991 803326134 /nfs/dbraw/zinc/32/61/34/803326134.db2.gz LBRNHACGBCGWQP-UHFFFAOYSA-N -1 3 298.321 3.462 20 0 CGADHM CCCOc1cc(F)ccc1-c1cccc(-c2nn[n-]n2)c1 ZINC001244358991 803326142 /nfs/dbraw/zinc/32/61/42/803326142.db2.gz LBRNHACGBCGWQP-UHFFFAOYSA-N -1 3 298.321 3.462 20 0 CGADHM [O-]c1ccc(OC(F)(F)F)cc1-c1cnc2cc[nH]c2n1 ZINC001244455808 803378941 /nfs/dbraw/zinc/37/89/41/803378941.db2.gz HLICZHOZROZQBH-UHFFFAOYSA-N -1 3 295.220 3.229 20 0 CGADHM Nc1cnc(-c2cc(OC(F)(F)F)ccc2[O-])c(F)c1 ZINC001244457557 803379472 /nfs/dbraw/zinc/37/94/72/803379472.db2.gz ONQBUHXRZDVEOE-UHFFFAOYSA-N -1 3 288.200 3.074 20 0 CGADHM [O-]c1ccc(OC(F)(F)F)cc1-c1nccs1 ZINC001244459796 803380134 /nfs/dbraw/zinc/38/01/34/803380134.db2.gz XOCDDMIYGAKKAD-UHFFFAOYSA-N -1 3 261.224 3.414 20 0 CGADHM O=C1OCc2c1cccc2-c1ccc(Cl)cc1[O-] ZINC001244469849 803386257 /nfs/dbraw/zinc/38/62/57/803386257.db2.gz RBJUOAVGWSNAIM-UHFFFAOYSA-N -1 3 260.676 3.383 20 0 CGADHM COC(=O)Cc1ccccc1-c1ccc(Cl)cc1[O-] ZINC001244470082 803386478 /nfs/dbraw/zinc/38/64/78/803386478.db2.gz YQAKFMMXNIWGSO-UHFFFAOYSA-N -1 3 276.719 3.428 20 0 CGADHM NC(=O)c1cnc2ccc(-c3ccc(Cl)cc3[O-])cc2c1 ZINC001244472461 803388688 /nfs/dbraw/zinc/38/86/88/803388688.db2.gz MWAOKEFNUQOMOF-UHFFFAOYSA-N -1 3 298.729 3.360 20 0 CGADHM Cc1cc2nc(C)nc(-c3cc(C)c(F)c([O-])c3)c2[nH]1 ZINC001244506061 803410116 /nfs/dbraw/zinc/41/01/16/803410116.db2.gz BNLKMAOCLWNXIX-UHFFFAOYSA-N -1 3 271.295 3.395 20 0 CGADHM C=C(OCC)c1ccc(-c2cc(C)c(F)c([O-])c2)nn1 ZINC001244505341 803410257 /nfs/dbraw/zinc/41/02/57/803410257.db2.gz CTARQEPXVWSNOM-UHFFFAOYSA-N -1 3 274.295 3.304 20 0 CGADHM Cc1cc(-c2nccnc2C(F)F)cc([O-])c1F ZINC001244518122 803413469 /nfs/dbraw/zinc/41/34/69/803413469.db2.gz QSSQKDAWSHKJJC-UHFFFAOYSA-N -1 3 254.211 3.234 20 0 CGADHM Cc1cc(-c2cncc3cc(CO)oc32)cc([O-])c1F ZINC001244517659 803414384 /nfs/dbraw/zinc/41/43/84/803414384.db2.gz LRGBYHMLAGPZLZ-UHFFFAOYSA-N -1 3 273.263 3.140 20 0 CGADHM Cc1cc(-c2cccc3ncn(C)c32)cc([O-])c1F ZINC001244524964 803417151 /nfs/dbraw/zinc/41/71/51/803417151.db2.gz JRXJYTMFYDEUAC-UHFFFAOYSA-N -1 3 256.280 3.393 20 0 CGADHM Cc1cc(-c2ccc3c(c2)C(C)(C)NC(=O)C3)cc([O-])c1F ZINC001244524360 803417157 /nfs/dbraw/zinc/41/71/57/803417157.db2.gz CMXDXZAQMAUKFR-UHFFFAOYSA-N -1 3 299.345 3.414 20 0 CGADHM Cc1cc(-c2cccc3c2C2(CC2)C(=O)N3)cc([O-])c1F ZINC001244525312 803418448 /nfs/dbraw/zinc/41/84/48/803418448.db2.gz PAPDYOPQRKMZRX-UHFFFAOYSA-N -1 3 283.302 3.490 20 0 CGADHM Cc1nc2c(ncc(-c3cc(C)c(F)c([O-])c3)c2C)[nH]1 ZINC001244525806 803418674 /nfs/dbraw/zinc/41/86/74/803418674.db2.gz STBQNDBCBKXOLO-UHFFFAOYSA-N -1 3 271.295 3.395 20 0 CGADHM Cc1cc(-c2cccc(N3CCC3=O)c2)cc([O-])c1F ZINC001244525995 803418923 /nfs/dbraw/zinc/41/89/23/803418923.db2.gz WWLPAKWHKTVRPK-UHFFFAOYSA-N -1 3 271.291 3.243 20 0 CGADHM Cc1cc(-c2ccc(=O)n(-c3ccncc3)c2)cc([O-])c1F ZINC001244525847 803419124 /nfs/dbraw/zinc/41/91/24/803419124.db2.gz UHCJXNYFPLNSCO-UHFFFAOYSA-N -1 3 296.301 3.053 20 0 CGADHM Cc1cc(-c2cccc(S(C)(=O)=O)c2)cc(Cl)c1[O-] ZINC001244537025 803423951 /nfs/dbraw/zinc/42/39/51/803423951.db2.gz FQOWCGJRWMVMQN-UHFFFAOYSA-N -1 3 296.775 3.425 20 0 CGADHM Cc1cc(-c2ccc3c(c2)OCC(=O)N3)cc(Cl)c1[O-] ZINC001244546716 803432161 /nfs/dbraw/zinc/43/21/61/803432161.db2.gz HMJGXRQVYNIFOP-UHFFFAOYSA-N -1 3 289.718 3.352 20 0 CGADHM Cc1cc(-c2ccc3c(n2)NCCO3)cc(Cl)c1[O-] ZINC001244551234 803433979 /nfs/dbraw/zinc/43/39/79/803433979.db2.gz UFYMHBYEQADOGU-UHFFFAOYSA-N -1 3 276.723 3.220 20 0 CGADHM Cc1cc(Cl)ncc1-c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001244919481 803577278 /nfs/dbraw/zinc/57/72/78/803577278.db2.gz WXAQRCXEJBQCBQ-UHFFFAOYSA-N -1 3 289.701 3.030 20 0 CGADHM Cc1cc(Cl)ncc1-c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001244919481 803577282 /nfs/dbraw/zinc/57/72/82/803577282.db2.gz WXAQRCXEJBQCBQ-UHFFFAOYSA-N -1 3 289.701 3.030 20 0 CGADHM Cc1c(Cl)cccc1-c1ccc(Cc2nnn[n-]2)cc1 ZINC001244966342 803596555 /nfs/dbraw/zinc/59/65/55/803596555.db2.gz VDWJYIDOGABIQV-UHFFFAOYSA-N -1 3 284.750 3.419 20 0 CGADHM Cc1c(Cl)cccc1-c1ccc(Cc2nn[n-]n2)cc1 ZINC001244966342 803596557 /nfs/dbraw/zinc/59/65/57/803596557.db2.gz VDWJYIDOGABIQV-UHFFFAOYSA-N -1 3 284.750 3.419 20 0 CGADHM CN1Cc2cccc(-c3cc(Cl)ccc3[O-])c2C1=O ZINC001245050286 803622467 /nfs/dbraw/zinc/62/24/67/803622467.db2.gz FCYMPNUPDZNHMN-UHFFFAOYSA-N -1 3 273.719 3.298 20 0 CGADHM COC(=O)c1ccc(-c2ccc([O-])cc2Cl)nc1F ZINC001245078543 803634130 /nfs/dbraw/zinc/63/41/30/803634130.db2.gz PHXXSAQCGWSRRI-UHFFFAOYSA-N -1 3 281.670 3.033 20 0 CGADHM CC(C)Oc1ccnc(-c2ccc([O-])cc2Cl)n1 ZINC001245077565 803633926 /nfs/dbraw/zinc/63/39/26/803633926.db2.gz BXFLDYJECLZJQJ-UHFFFAOYSA-N -1 3 264.712 3.290 20 0 CGADHM [O-]c1ccc(-c2nccc3nccnc32)c(Cl)c1 ZINC001245081656 803636660 /nfs/dbraw/zinc/63/66/60/803636660.db2.gz JQMHWVVFBWHCDY-UHFFFAOYSA-N -1 3 257.680 3.051 20 0 CGADHM Cc1ccc2c(c1)N(C(=O)c1c(C)cccc1[O-])CC2 ZINC001136436377 803643425 /nfs/dbraw/zinc/64/34/25/803643425.db2.gz UWVTXAJJXLQHEQ-UHFFFAOYSA-N -1 3 267.328 3.212 20 0 CGADHM Cc1cc(Nc2cc(=O)[n-]c(C3CC3)n2)cc(C)c1O ZINC001211903579 814954672 /nfs/dbraw/zinc/95/46/72/814954672.db2.gz IRTKMNQTOLVOQW-UHFFFAOYSA-N -1 3 271.320 3.126 20 0 CGADHM [O-]c1ccc(Nc2nnccc2C(F)(F)F)c(F)c1F ZINC001212007647 814965434 /nfs/dbraw/zinc/96/54/34/814965434.db2.gz UGLQAUKROLNOSM-UHFFFAOYSA-N -1 3 291.179 3.223 20 0 CGADHM [O-]c1ccc(Nc2cn(CC3CCC3)cn2)c(F)c1F ZINC001212005589 814965958 /nfs/dbraw/zinc/96/59/58/814965958.db2.gz PFKURYRXPUWICF-UHFFFAOYSA-N -1 3 279.290 3.411 20 0 CGADHM O=c1cc(Cl)[nH]cc1Nc1ccc([O-])c(F)c1F ZINC001212003366 814966001 /nfs/dbraw/zinc/96/60/01/814966001.db2.gz YSHSADUSLDZAHI-UHFFFAOYSA-N -1 3 272.638 3.168 20 0 CGADHM [O-]c1ccc(Nc2cc(F)cc(F)c2CO)c(F)c1F ZINC001212016307 814967878 /nfs/dbraw/zinc/96/78/78/814967878.db2.gz JQEKASLAYNOPEE-UHFFFAOYSA-N -1 3 287.212 3.185 20 0 CGADHM C/C(=C\c1ccccn1)C(=O)Nc1ccc(Cl)cc1[O-] ZINC001138015215 803826564 /nfs/dbraw/zinc/82/65/64/803826564.db2.gz VTEUUDXZRJXSMP-CSKARUKUSA-N -1 3 288.734 3.483 20 0 CGADHM CC(=O)O[C@@H]1Cc2ccc(-c3c([O-])cccc3F)cc2C1 ZINC001245654491 803885994 /nfs/dbraw/zinc/88/59/94/803885994.db2.gz SJWFIUVMYLZEEM-CQSZACIVSA-N -1 3 286.302 3.229 20 0 CGADHM O=c1ccc2cccc(-c3c([O-])cccc3F)c2o1 ZINC001245656707 803890647 /nfs/dbraw/zinc/89/06/47/803890647.db2.gz RWTDZTUHZKAQQR-UHFFFAOYSA-N -1 3 256.232 3.305 20 0 CGADHM O=C1NCCC[C@@H]1c1ccc(-c2c([O-])cccc2F)cc1 ZINC001245657729 803892529 /nfs/dbraw/zinc/89/25/29/803892529.db2.gz RURGRGPPOXTKOX-CYBMUJFWSA-N -1 3 285.318 3.192 20 0 CGADHM COC(=O)[C@@H](C)c1cccc(-c2c([O-])cccc2F)c1 ZINC001245657673 803892703 /nfs/dbraw/zinc/89/27/03/803892703.db2.gz QTSYQUXJCRHCLT-JTQLQIEISA-N -1 3 274.291 3.475 20 0 CGADHM COc1c(Br)cccc1-c1ccc(=S)[n-]n1 ZINC001245681711 803909234 /nfs/dbraw/zinc/90/92/34/803909234.db2.gz HAAKVVXNZILGRN-UHFFFAOYSA-N -1 3 297.177 3.203 20 0 CGADHM CCc1cc(-c2ccc(C)c(-c3nnn[n-]3)c2)ccc1OC ZINC001245793094 803965712 /nfs/dbraw/zinc/96/57/12/803965712.db2.gz YKCXKSRYKQXEDX-UHFFFAOYSA-N -1 3 294.358 3.413 20 0 CGADHM CCc1cc(-c2ccc(C)c(-c3nn[n-]n3)c2)ccc1OC ZINC001245793094 803965718 /nfs/dbraw/zinc/96/57/18/803965718.db2.gz YKCXKSRYKQXEDX-UHFFFAOYSA-N -1 3 294.358 3.413 20 0 CGADHM Cc1nnc([N-]c2cccc(OCC(F)(F)F)c2)o1 ZINC001212161939 814986438 /nfs/dbraw/zinc/98/64/38/814986438.db2.gz IMZRWJNAEMUQAW-UHFFFAOYSA-N -1 3 273.214 3.063 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2sccc2C(F)F)n1 ZINC001139461139 804190321 /nfs/dbraw/zinc/19/03/21/804190321.db2.gz HTYXUEQOZDUYKO-UHFFFAOYSA-N -1 3 284.287 3.347 20 0 CGADHM C[C@H]1CN(Cc2cc(F)c([O-])c(F)c2)C2(CC2)C1 ZINC001140992070 804564697 /nfs/dbraw/zinc/56/46/97/804564697.db2.gz LOYHXODALNLEFT-SECBINFHSA-N -1 3 253.292 3.045 20 0 CGADHM CC1(C)C(C)(C)C1(C)C(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC001141301961 804628818 /nfs/dbraw/zinc/62/88/18/804628818.db2.gz ISYKJINOTGRZNB-UHFFFAOYSA-N -1 3 287.363 3.279 20 0 CGADHM O=C(C[C@@H]1CCC[C@H](C(F)(F)F)C1)[N-]OCC1CC1 ZINC001141399742 804638996 /nfs/dbraw/zinc/63/89/96/804638996.db2.gz VAXDWUUISAAZMU-MNOVXSKESA-N -1 3 279.302 3.203 20 0 CGADHM [O-]c1c(F)cc(F)cc1Nc1ccnn1CC(F)(F)F ZINC001212484175 815037140 /nfs/dbraw/zinc/03/71/40/815037140.db2.gz OMRDLXTWHXQOHX-UHFFFAOYSA-N -1 3 293.195 3.173 20 0 CGADHM Cc1nn(-c2cc(F)cc(F)c2[O-])c2cc(N)cc(F)c12 ZINC001212487758 815038408 /nfs/dbraw/zinc/03/84/08/815038408.db2.gz YSGKLSSWTQHMOK-UHFFFAOYSA-N -1 3 293.248 3.039 20 0 CGADHM CC(C)(C)CNC(=S)Nc1nc2c(cccc2[O-])s1 ZINC001247929671 804852921 /nfs/dbraw/zinc/85/29/21/804852921.db2.gz BXICVMFAVAFCAG-UHFFFAOYSA-N -1 3 295.433 3.334 20 0 CGADHM Cc1ccccc1[C@H](CC(C)C)NC(=O)c1cc(=O)[n-]cn1 ZINC001146487851 805070198 /nfs/dbraw/zinc/07/01/98/805070198.db2.gz CTWJXXPFAXWJNV-AWEZNQCLSA-N -1 3 299.374 3.008 20 0 CGADHM Cc1ccc(C(=O)N2CCCC[C@](C)(F)C2)c([O-])c1 ZINC001148498202 805189566 /nfs/dbraw/zinc/18/95/66/805189566.db2.gz DKIGGPLKKQUBGV-HNNXBMFYSA-N -1 3 265.328 3.055 20 0 CGADHM CC(=O)c1cc(C(=O)Nc2cnccc2C2CC2)ccc1[O-] ZINC001148657263 805204216 /nfs/dbraw/zinc/20/42/16/805204216.db2.gz JWUPGCNZSDIPBL-UHFFFAOYSA-N -1 3 296.326 3.120 20 0 CGADHM Cc1nsc([N-]c2cccc(Br)c2F)n1 ZINC001249685552 805211239 /nfs/dbraw/zinc/21/12/39/805211239.db2.gz ONOJKAQINKOYHS-UHFFFAOYSA-N -1 3 288.145 3.492 20 0 CGADHM Cn1cc(Nc2cc(F)c([O-])c(F)c2)c2ccncc21 ZINC001249698085 805217380 /nfs/dbraw/zinc/21/73/80/805217380.db2.gz KFJYGXKLUGLCGQ-UHFFFAOYSA-N -1 3 275.258 3.301 20 0 CGADHM Cc1nc2ccccc2c(C(=O)N[C@H]2CC=CCC2)c1[O-] ZINC001149205596 805223840 /nfs/dbraw/zinc/22/38/40/805223840.db2.gz FUXUJBNQQLHSMH-LBPRGKRZSA-N -1 3 282.343 3.087 20 0 CGADHM Cc1cc(Nc2cc([O-])c(Cl)cc2F)cnc1N ZINC001249787961 805248028 /nfs/dbraw/zinc/24/80/28/805248028.db2.gz WAOSIAQRJIDQDS-UHFFFAOYSA-N -1 3 267.691 3.214 20 0 CGADHM Cc1ccc2[nH]c(Nc3cc(=O)[n-]c(C)n3)cc2c1 ZINC001249842291 805257437 /nfs/dbraw/zinc/25/74/37/805257437.db2.gz HBCRUJJMKDMOPA-UHFFFAOYSA-N -1 3 254.293 3.024 20 0 CGADHM COc1cccc(C([O-])=Cc2cc(SC)cnc2F)c1 ZINC001249905815 805296560 /nfs/dbraw/zinc/29/65/60/805296560.db2.gz WHJKYCITHODXKQ-UHFFFAOYSA-N -1 3 291.347 3.377 20 0 CGADHM COc1ccc(NC(=O)c2cc([O-])ccc2Cl)c(F)c1 ZINC001151647784 805305020 /nfs/dbraw/zinc/30/50/20/805305020.db2.gz AFXHBPFGBVEHDX-UHFFFAOYSA-N -1 3 295.697 3.446 20 0 CGADHM CCc1cccc(-c2noc(-c3ccc([O-])cn3)n2)c1 ZINC001212558274 815068023 /nfs/dbraw/zinc/06/80/23/815068023.db2.gz ZVQIVERHFNYRTH-UHFFFAOYSA-N -1 3 267.288 3.067 20 0 CGADHM O=C(CCc1cc([O-])cc(F)c1)c1ccc(F)cc1 ZINC001250027961 805378428 /nfs/dbraw/zinc/37/84/28/805378428.db2.gz HZNRDTMVNIYWOZ-UHFFFAOYSA-N -1 3 262.255 3.486 20 0 CGADHM O=C(CCc1ccc(F)c([O-])c1)c1ccc(F)cc1 ZINC001250028145 805378531 /nfs/dbraw/zinc/37/85/31/805378531.db2.gz NFQPXNBKNZVTOZ-UHFFFAOYSA-N -1 3 262.255 3.486 20 0 CGADHM CCOC(=O)c1ccc(NC(=O)CC(C)=C(C)C)c([O-])c1 ZINC001153027972 805380366 /nfs/dbraw/zinc/38/03/66/805380366.db2.gz SBKNSCUKNASWPJ-UHFFFAOYSA-N -1 3 291.347 3.254 20 0 CGADHM COc1c(Cl)ccc(F)c1Nc1cnc(C)[n-]c1=O ZINC001250101676 805418084 /nfs/dbraw/zinc/41/80/84/805418084.db2.gz FBPYJYWHWURPPP-UHFFFAOYSA-N -1 3 283.690 3.035 20 0 CGADHM O=c1[n-]cncc1Nc1cc(Cl)cc(Cl)c1F ZINC001250114203 805424179 /nfs/dbraw/zinc/42/41/79/805424179.db2.gz CDMWQVBGMILPPV-UHFFFAOYSA-N -1 3 274.082 3.372 20 0 CGADHM CCc1ccc(C(=O)NCCC2CC=CC2)c([O-])c1 ZINC001154452685 805456602 /nfs/dbraw/zinc/45/66/02/805456602.db2.gz JGDMICUMCZYGMQ-UHFFFAOYSA-N -1 3 259.349 3.041 20 0 CGADHM Cc1ccc2ncc([O-])c(C(=O)N(C)C[C@@H]3CC3(C)C)c2c1 ZINC001154530401 805461547 /nfs/dbraw/zinc/46/15/47/805461547.db2.gz HSJVFXWQKPFZDW-LBPRGKRZSA-N -1 3 298.386 3.367 20 0 CGADHM [O-]c1c(F)cc(F)cc1C[C@H]1COc2ccccc2O1 ZINC001250175574 805463099 /nfs/dbraw/zinc/46/30/99/805463099.db2.gz KPQCZPXVLQHDKI-NSHDSACASA-N -1 3 278.254 3.053 20 0 CGADHM CCOC(=O)c1scnc1Nc1ccc(Cl)c([O-])c1 ZINC001212588576 815078386 /nfs/dbraw/zinc/07/83/86/815078386.db2.gz VIEOLASGRKEJPR-UHFFFAOYSA-N -1 3 298.751 3.422 20 0 CGADHM [O-]c1cc(Nc2ccc(F)nc2F)ccc1Cl ZINC001212590245 815078734 /nfs/dbraw/zinc/07/87/34/815078734.db2.gz CGRIYDTWWOKLAU-UHFFFAOYSA-N -1 3 256.639 3.462 20 0 CGADHM [O-]c1cc(Nc2cccn3nccc23)ccc1Cl ZINC001212591503 815079424 /nfs/dbraw/zinc/07/94/24/815079424.db2.gz PTUMIVFPQJRPJW-UHFFFAOYSA-N -1 3 259.696 3.437 20 0 CGADHM O=C1COc2cc(Nc3ccc(Cl)c([O-])c3)ccc2N1 ZINC001212592623 815079711 /nfs/dbraw/zinc/07/97/11/815079711.db2.gz ZEZIJAJLFLLUDN-UHFFFAOYSA-N -1 3 290.706 3.120 20 0 CGADHM [O-]c1cc(Nc2ccc(O)cc2O)ccc1Cl ZINC001212591588 815080197 /nfs/dbraw/zinc/08/01/97/815080197.db2.gz UPFOLXAPNZZCQY-UHFFFAOYSA-N -1 3 251.669 3.200 20 0 CGADHM COc1cccc(CO)c1Nc1ccc(Cl)c([O-])c1 ZINC001212593965 815081281 /nfs/dbraw/zinc/08/12/81/815081281.db2.gz OBOAMIOJIILZIM-UHFFFAOYSA-N -1 3 279.723 3.290 20 0 CGADHM O=C(Nc1ccc(F)c([O-])c1)c1ccnc2ccc(O)cc21 ZINC001155137210 805543779 /nfs/dbraw/zinc/54/37/79/805543779.db2.gz WJPRLGBWSVNRSK-UHFFFAOYSA-N -1 3 298.273 3.037 20 0 CGADHM O=C(Nc1cncc([O-])c1)c1ccc(Cl)c2cnccc12 ZINC001155192039 805555393 /nfs/dbraw/zinc/55/53/93/805555393.db2.gz VJKUUBNTLOFYHB-UHFFFAOYSA-N -1 3 299.717 3.241 20 0 CGADHM Cc1cc(O)cc([O-])c1-c1nnc(C2CCCC2)o1 ZINC001257593383 807202186 /nfs/dbraw/zinc/20/21/86/807202186.db2.gz XAGLKYMPGCSFOV-UHFFFAOYSA-N -1 3 260.293 3.114 20 0 CGADHM Cc1cc(F)cc(-c2noc(-c3cncc([O-])c3)n2)c1F ZINC001212708354 815109471 /nfs/dbraw/zinc/10/94/71/815109471.db2.gz GBAGSRIYHCJOMW-UHFFFAOYSA-N -1 3 289.241 3.091 20 0 CGADHM [O-]c1cncc(-c2nc(-c3ccc4scnc4c3)no2)c1 ZINC001212708351 815109567 /nfs/dbraw/zinc/10/95/67/815109567.db2.gz FYTQKZDFFDJGEU-UHFFFAOYSA-N -1 3 296.311 3.114 20 0 CGADHM CCc1cc(=O)[n-]c(CN[C@@H](C)c2cc(C)ccc2C)n1 ZINC001168926147 807539550 /nfs/dbraw/zinc/53/95/50/807539550.db2.gz YQWRYQNOIGYKDW-ZDUSSCGKSA-N -1 3 285.391 3.212 20 0 CGADHM CC[C@@H](C)S(=O)(=O)[N-]c1ccc2cc(C)ccc2n1 ZINC001260724517 807700369 /nfs/dbraw/zinc/70/03/69/807700369.db2.gz QDHHKDDVCHYVCI-LLVKDONJSA-N -1 3 278.377 3.083 20 0 CGADHM [O-]c1cccnc1CNc1ccc(OC(F)F)cc1F ZINC001169733483 807701923 /nfs/dbraw/zinc/70/19/23/807701923.db2.gz VQTCDRJDKANFIH-UHFFFAOYSA-N -1 3 284.237 3.140 20 0 CGADHM CN(CC1=CCSC1)[C@@H](C(=O)[O-])c1ccccc1Cl ZINC001261636396 807770103 /nfs/dbraw/zinc/77/01/03/807770103.db2.gz ISCKBVRCIABEOX-CYBMUJFWSA-N -1 3 297.807 3.071 20 0 CGADHM FC(F)(F)c1ccccc1CCNc1ccc(=S)[n-]n1 ZINC001171038856 807969932 /nfs/dbraw/zinc/96/99/32/807969932.db2.gz IGKXJBPWZTZVQK-UHFFFAOYSA-N -1 3 299.321 3.439 20 0 CGADHM c1ccc(C2(CNc3ccccc3-c3nnn[n-]3)CC2)cc1 ZINC001171467264 808067112 /nfs/dbraw/zinc/06/71/12/808067112.db2.gz ZKTINBJAGUIQDE-UHFFFAOYSA-N -1 3 291.358 3.010 20 0 CGADHM c1ccc(C2(CNc3ccccc3-c3nn[n-]n3)CC2)cc1 ZINC001171467264 808067119 /nfs/dbraw/zinc/06/71/19/808067119.db2.gz ZKTINBJAGUIQDE-UHFFFAOYSA-N -1 3 291.358 3.010 20 0 CGADHM CN1CCOc2cc(Nc3cc(F)c([O-])c(F)c3)ccc21 ZINC001213044428 815210779 /nfs/dbraw/zinc/21/07/79/815210779.db2.gz HGAVMGFSKNWGJM-UHFFFAOYSA-N -1 3 292.285 3.243 20 0 CGADHM Cc1nc(Nc2cccc(C(F)(F)F)c2)cc(=O)[n-]1 ZINC001173821419 808689284 /nfs/dbraw/zinc/68/92/84/808689284.db2.gz ITVJXUPKSYSMRW-UHFFFAOYSA-N -1 3 269.226 3.253 20 0 CGADHM CCOc1ccc(Nc2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC001173852299 808713396 /nfs/dbraw/zinc/71/33/96/808713396.db2.gz DDJDFIJYLRNKCE-UHFFFAOYSA-N -1 3 271.320 3.202 20 0 CGADHM CCOC(=O)c1nc(C2CC2)oc1[N-]c1ccoc1 ZINC001173933913 808771690 /nfs/dbraw/zinc/77/16/90/808771690.db2.gz HJVCGHYEOHPPTR-UHFFFAOYSA-N -1 3 262.265 3.065 20 0 CGADHM CS(=O)(=O)c1ccc(Nc2ccc([O-])c(Cl)c2)cc1 ZINC001173943483 808776667 /nfs/dbraw/zinc/77/66/67/808776667.db2.gz ZNWYWDKVHNVGPX-UHFFFAOYSA-N -1 3 297.763 3.193 20 0 CGADHM CNC(=O)c1cccc(Nc2ccc(C)c([O-])c2Cl)c1 ZINC001174142006 808887953 /nfs/dbraw/zinc/88/79/53/808887953.db2.gz IQVNKIFMTSZVGV-UHFFFAOYSA-N -1 3 290.750 3.457 20 0 CGADHM Cc1n[nH]c(C)c1Nc1ccc(C)c([O-])c1Cl ZINC001174217196 808906353 /nfs/dbraw/zinc/90/63/53/808906353.db2.gz WJBDVWIREQCABS-UHFFFAOYSA-N -1 3 251.717 3.438 20 0 CGADHM Cc1nn(C)c(C)c1Nc1cccc(Cl)c1[O-] ZINC001174228030 808913679 /nfs/dbraw/zinc/91/36/79/808913679.db2.gz UJHUWKJKAIIXOM-UHFFFAOYSA-N -1 3 251.717 3.140 20 0 CGADHM c1cnn(-c2cccc([N-]c3nnc(-c4ccco4)o3)c2)c1 ZINC001174298524 808940458 /nfs/dbraw/zinc/94/04/58/808940458.db2.gz CUUONEXNXDGDLL-UHFFFAOYSA-N -1 3 293.286 3.259 20 0 CGADHM Cc1nn(C)cc1Nc1cc(Cl)c([O-])cc1Cl ZINC001174337599 808959326 /nfs/dbraw/zinc/95/93/26/808959326.db2.gz WPAVROGCOYQCEO-UHFFFAOYSA-N -1 3 272.135 3.485 20 0 CGADHM Cn1ncc2ccc(Nc3cc([O-])c(F)cc3F)cc21 ZINC001174341037 808962199 /nfs/dbraw/zinc/96/21/99/808962199.db2.gz QDSDDLXQKQOGMJ-UHFFFAOYSA-N -1 3 275.258 3.301 20 0 CGADHM [O-]c1cc(F)cnc1Nc1cccc(N2CCCC2)c1 ZINC001174487116 809041456 /nfs/dbraw/zinc/04/14/56/809041456.db2.gz IPHLWEGLIARNFQ-UHFFFAOYSA-N -1 3 273.311 3.270 20 0 CGADHM Cc1nc(Nc2ccc(C(F)(F)F)cc2)cc(=O)[n-]1 ZINC001174770289 809159963 /nfs/dbraw/zinc/15/99/63/809159963.db2.gz VVBUISJBZNWNTK-UHFFFAOYSA-N -1 3 269.226 3.253 20 0 CGADHM [O-]c1c(F)cc(Nc2cn(CC3CC3)cn2)cc1F ZINC001213377169 815273543 /nfs/dbraw/zinc/27/35/43/815273543.db2.gz AXHOMQRGWHOHDV-UHFFFAOYSA-N -1 3 265.263 3.021 20 0 CGADHM CCOc1ccc(Nc2cc(=O)[n-]c(C3CC3)n2)cc1F ZINC001175065825 809257599 /nfs/dbraw/zinc/25/75/99/809257599.db2.gz CFVDCADXKVEUON-UHFFFAOYSA-N -1 3 289.310 3.341 20 0 CGADHM O=c1ccc2cc(Nc3cc(F)c([O-])c(F)c3)ccc2[nH]1 ZINC001213384331 815274306 /nfs/dbraw/zinc/27/43/06/815274306.db2.gz GTFZKBKRZNORDU-UHFFFAOYSA-N -1 3 288.253 3.256 20 0 CGADHM COc1cc(Nc2c(F)cc([O-])cc2F)cc(OC)c1 ZINC001175099843 809270745 /nfs/dbraw/zinc/27/07/45/809270745.db2.gz CGYWTGODKRNGFG-UHFFFAOYSA-N -1 3 281.258 3.431 20 0 CGADHM CC(=O)c1ccccc1Nc1ncc(Cl)cc1[O-] ZINC001175174321 809298589 /nfs/dbraw/zinc/29/85/89/809298589.db2.gz DPDSKWMFIROAFB-UHFFFAOYSA-N -1 3 262.696 3.387 20 0 CGADHM Cc1nnc([N-]c2cccc(O[C@@H]3CCCCO3)c2)o1 ZINC001175182829 809301460 /nfs/dbraw/zinc/30/14/60/809301460.db2.gz JOYQIAJYCXZSEP-CYBMUJFWSA-N -1 3 275.308 3.027 20 0 CGADHM Cc1nc(Cl)cc(Nc2c(F)ccc([O-])c2F)n1 ZINC001175261241 809327730 /nfs/dbraw/zinc/32/77/30/809327730.db2.gz HZEOWFXAOQGAIJ-UHFFFAOYSA-N -1 3 271.654 3.166 20 0 CGADHM [O-]c1ccc(F)c(Nc2ccc[nH]c2=S)c1F ZINC001175264126 809330129 /nfs/dbraw/zinc/33/01/29/809330129.db2.gz SNGFWBFIACUNCL-UHFFFAOYSA-N -1 3 254.261 3.098 20 0 CGADHM Cn1cnc2cccc(Nc3c(F)ccc([O-])c3F)c21 ZINC001175269772 809334128 /nfs/dbraw/zinc/33/41/28/809334128.db2.gz KXLYCTNQDCNMRA-UHFFFAOYSA-N -1 3 275.258 3.301 20 0 CGADHM Nc1cc(Cl)cc2c1cnn2-c1c(F)ccc([O-])c1F ZINC001175269074 809334441 /nfs/dbraw/zinc/33/44/41/809334441.db2.gz ADPXCGCDYOISCR-UHFFFAOYSA-N -1 3 295.676 3.245 20 0 CGADHM Cc1ncc(Nc2ccc(C3CC3)cc2F)c(=O)[n-]1 ZINC001213459707 815285092 /nfs/dbraw/zinc/28/50/92/815285092.db2.gz KGXSQVCJSVMMBB-UHFFFAOYSA-N -1 3 259.284 3.251 20 0 CGADHM CC(C)Oc1ccccc1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175428896 809401385 /nfs/dbraw/zinc/40/13/85/809401385.db2.gz ASXULTBYBIXWCN-UHFFFAOYSA-N -1 3 295.346 3.398 20 0 CGADHM CCc1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001175429872 809401553 /nfs/dbraw/zinc/40/15/53/809401553.db2.gz SSMFIYXXOJERDH-UHFFFAOYSA-N -1 3 265.320 3.173 20 0 CGADHM [O-]c1cc(Nc2ccc3nccnc3c2)c(F)cc1F ZINC001175487773 809427143 /nfs/dbraw/zinc/42/71/43/809427143.db2.gz FRJNRWLFHYPPGN-UHFFFAOYSA-N -1 3 273.242 3.357 20 0 CGADHM [O-]c1cccc2sc(Nc3cccc(CO)c3)nc21 ZINC001175507596 809433884 /nfs/dbraw/zinc/43/38/84/809433884.db2.gz TXXSWCAWPGZVHE-UHFFFAOYSA-N -1 3 272.329 3.238 20 0 CGADHM CSc1ccc([O-])c(C(=O)N[C@H]2CCC[C@@H]2C)c1 ZINC001293164601 809443431 /nfs/dbraw/zinc/44/34/31/809443431.db2.gz ITWVUFLRMUQBPC-CABZTGNLSA-N -1 3 265.378 3.033 20 0 CGADHM CCOCc1ccc(NC(=O)c2c(C)cccc2[O-])cc1 ZINC001294040305 809459581 /nfs/dbraw/zinc/45/95/81/809459581.db2.gz JELKFQQQGRKDEO-UHFFFAOYSA-N -1 3 285.343 3.489 20 0 CGADHM Cn1cc2c(cccc2Nc2ccc([O-])c(F)c2F)n1 ZINC001175590655 809465811 /nfs/dbraw/zinc/46/58/11/809465811.db2.gz GWUWUHPTSGFZAD-UHFFFAOYSA-N -1 3 275.258 3.301 20 0 CGADHM CCCOc1cccc(Nc2ncc(F)cc2[O-])c1 ZINC001175598707 809469830 /nfs/dbraw/zinc/46/98/30/809469830.db2.gz XYKCOMUZPHDJAZ-UHFFFAOYSA-N -1 3 262.284 3.459 20 0 CGADHM Cc1ccc(CCC(=O)Nc2ccc(F)c([O-])c2)s1 ZINC001175613732 809473452 /nfs/dbraw/zinc/47/34/52/809473452.db2.gz KFIYXAFDHQDOQV-UHFFFAOYSA-N -1 3 279.336 3.473 20 0 CGADHM O=C(NCc1ccc([O-])c(F)c1)c1ccccc1C(F)F ZINC001294868032 809476699 /nfs/dbraw/zinc/47/66/99/809476699.db2.gz OSUPGWSQFVMTCI-UHFFFAOYSA-N -1 3 295.260 3.399 20 0 CGADHM Cn1cc2cc(Nc3ccc([O-])c(F)c3F)ccc2n1 ZINC001175619737 809476758 /nfs/dbraw/zinc/47/67/58/809476758.db2.gz IZLNODOWKVUYJW-UHFFFAOYSA-N -1 3 275.258 3.301 20 0 CGADHM Cc1ccc(C(=O)Nc2cc(F)ccc2[O-])c(N)c1Cl ZINC001295980205 809496871 /nfs/dbraw/zinc/49/68/71/809496871.db2.gz WEBULIUATFJTDD-UHFFFAOYSA-N -1 3 294.713 3.328 20 0 CGADHM COc1ccccc1CO[N-]C(=O)CCC[Si](C)(C)C ZINC001297121685 809512980 /nfs/dbraw/zinc/51/29/80/809512980.db2.gz GUDLFQRKXWRJBA-UHFFFAOYSA-N -1 3 295.455 3.361 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2cccc(C(F)F)c2F)n1 ZINC001297158779 809513784 /nfs/dbraw/zinc/51/37/84/809513784.db2.gz JVWDLAJRWINLMR-UHFFFAOYSA-N -1 3 296.248 3.425 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)C1(CCc2ccccc2)CC1 ZINC001298606065 809535137 /nfs/dbraw/zinc/53/51/37/809535137.db2.gz BVNLEFNJMZMYNK-AWEZNQCLSA-N -1 3 275.392 3.493 20 0 CGADHM CC(=O)c1cccc(NC(=O)C(C)=Cc2ccncc2)c1[O-] ZINC001298748989 809537774 /nfs/dbraw/zinc/53/77/74/809537774.db2.gz KJRCZPYCYZOITQ-KHPPLWFESA-N -1 3 296.326 3.032 20 0 CGADHM Cc1ccc(C(=O)N[C@@H]2C[C@@]2(F)c2ccccc2)c([O-])c1 ZINC001299748187 809554254 /nfs/dbraw/zinc/55/42/54/809554254.db2.gz GMKAGZFATZSEOQ-NVXWUHKLSA-N -1 3 285.318 3.068 20 0 CGADHM C[C@H]1CC[C@H](CC(=O)[N-]Oc2ccccc2F)C1 ZINC001303332713 809608523 /nfs/dbraw/zinc/60/85/23/809608523.db2.gz KOKJQMNEQXCFSY-QWRGUYRKSA-N -1 3 251.301 3.062 20 0 CGADHM COc1cc(Nc2cc(=O)[n-]c(C3CC3)n2)c(F)cc1F ZINC001176107988 809623728 /nfs/dbraw/zinc/62/37/28/809623728.db2.gz WHYWPMJJFZDUCS-UHFFFAOYSA-N -1 3 293.273 3.090 20 0 CGADHM O=c1ccc(Nc2cc(Br)cc(F)c2[O-])c[nH]1 ZINC001176131587 809632786 /nfs/dbraw/zinc/63/27/86/809632786.db2.gz VDTYOOYJRIUYQJ-UHFFFAOYSA-N -1 3 299.099 3.138 20 0 CGADHM CCOc1cc(Nc2ncc(Cl)cc2[O-])c(F)cn1 ZINC001176599981 809728180 /nfs/dbraw/zinc/72/81/80/809728180.db2.gz NSBQALGXILTFDM-UHFFFAOYSA-N -1 3 283.690 3.117 20 0 CGADHM NC(=O)c1ccc(Nc2cccc(C3CC3)c2)cc1[O-] ZINC001176726292 809751730 /nfs/dbraw/zinc/75/17/30/809751730.db2.gz UFJWCCNQOYXZRL-UHFFFAOYSA-N -1 3 268.316 3.112 20 0 CGADHM CC(C)(Cc1cccnc1)C(=O)Nc1ccc(F)c([O-])c1 ZINC001178061051 809842382 /nfs/dbraw/zinc/84/23/82/809842382.db2.gz OQUGUSJEBJHKGS-UHFFFAOYSA-N -1 3 288.322 3.134 20 0 CGADHM O=C(Nc1ccc(F)c([O-])c1)[C@H](c1ccccn1)C1CC1 ZINC001178236444 809853926 /nfs/dbraw/zinc/85/39/26/809853926.db2.gz ANPBLLNINFZDRY-HNNXBMFYSA-N -1 3 286.306 3.059 20 0 CGADHM CC(=O)c1cccc([O-])c1NC(=O)[C@@H](C)CC(F)(F)F ZINC001179864411 809953587 /nfs/dbraw/zinc/95/35/87/809953587.db2.gz ITPWKZAVHKHWHD-ZETCQYMHSA-N -1 3 289.253 3.122 20 0 CGADHM O=C(Nc1ccc(F)c([O-])c1)[C@H]1CCc2ccccc21 ZINC001181760779 810070187 /nfs/dbraw/zinc/07/01/87/810070187.db2.gz UKSUVQYGODHBBZ-ZDUSSCGKSA-N -1 3 271.291 3.200 20 0 CGADHM C[C@]1(C(=O)Nc2ccc(F)c([O-])c2)CC1(Cl)Cl ZINC001182143123 810095547 /nfs/dbraw/zinc/09/55/47/810095547.db2.gz VVSWEKUAEBVBMJ-SNVBAGLBSA-N -1 3 278.110 3.054 20 0 CGADHM Cc1nc(NC(=O)CCCC2CCCCC2)cc(=O)[n-]1 ZINC001184222590 810183494 /nfs/dbraw/zinc/18/34/94/810183494.db2.gz KKBRHDSXJOHKQD-UHFFFAOYSA-N -1 3 277.368 3.180 20 0 CGADHM Cc1ccc([O-])c(NC(=O)Nc2ccc(F)c(F)c2)n1 ZINC001185057895 810231559 /nfs/dbraw/zinc/23/15/59/810231559.db2.gz YSGONQNDWVCFGD-UHFFFAOYSA-N -1 3 279.246 3.018 20 0 CGADHM O=C(NCC1CCCCC1)Nc1ccc(F)c([O-])c1 ZINC001186875387 810368377 /nfs/dbraw/zinc/36/83/77/810368377.db2.gz KKTLBBMCEHGISW-UHFFFAOYSA-N -1 3 266.316 3.233 20 0 CGADHM OCc1cc(F)c([N-]c2cc(C(F)(F)F)no2)c(F)c1 ZINC001214086040 815366714 /nfs/dbraw/zinc/36/67/14/815366714.db2.gz LDRXOOCHCMKVOV-UHFFFAOYSA-N -1 3 294.179 3.208 20 0 CGADHM Cc1cccc([O-])c1C(=O)NCc1ccc2c(c1)CCC2 ZINC001188639204 810496572 /nfs/dbraw/zinc/49/65/72/810496572.db2.gz WNOZEVCHJNAUKY-UHFFFAOYSA-N -1 3 281.355 3.119 20 0 CGADHM Cc1cccc(C(F)(F)F)c1[N-]S(=O)(=O)CC1CC1 ZINC001188963101 810528286 /nfs/dbraw/zinc/52/82/86/810528286.db2.gz DUUGEHQLMQFNON-UHFFFAOYSA-N -1 3 293.310 3.166 20 0 CGADHM Cc1coc(SCc2cc(=O)[n-]c(-c3ccccc3)n2)n1 ZINC001189120387 810542968 /nfs/dbraw/zinc/54/29/68/810542968.db2.gz VMSKLJPTJQUGCU-UHFFFAOYSA-N -1 3 299.355 3.438 20 0 CGADHM O=C([N-]c1cc(C2CCCC2)no1)Nc1ccccn1 ZINC001191295249 810697993 /nfs/dbraw/zinc/69/79/93/810697993.db2.gz LPSZEXKXUAJTDK-UHFFFAOYSA-N -1 3 272.308 3.371 20 0 CGADHM O=C(Nc1ccccn1)Nc1c([O-])cccc1C(F)(F)F ZINC001191341107 810702762 /nfs/dbraw/zinc/70/27/62/810702762.db2.gz NPOLBCHHQBRKIM-UHFFFAOYSA-N -1 3 297.236 3.450 20 0 CGADHM O=C(Nc1ncccc1[O-])c1ccncc1-c1ccccc1 ZINC001191892344 810754779 /nfs/dbraw/zinc/75/47/79/810754779.db2.gz DRXILOIKTHVHKB-UHFFFAOYSA-N -1 3 291.310 3.102 20 0 CGADHM CC(=O)CC(C)(C)NC(=O)c1ccc(C(C)(C)C)cc1[O-] ZINC001192335297 810788056 /nfs/dbraw/zinc/78/80/56/810788056.db2.gz FRCKNSMRNSLHCS-UHFFFAOYSA-N -1 3 291.391 3.177 20 0 CGADHM COc1cc(CNC(=O)OC2CCCC2)cc(Cl)c1[O-] ZINC001193583388 810912910 /nfs/dbraw/zinc/91/29/10/810912910.db2.gz JBNJHTCELBSELH-UHFFFAOYSA-N -1 3 299.754 3.223 20 0 CGADHM CN(C)c1cccnc1Nc1c(Cl)ccc([O-])c1F ZINC001214558479 815424409 /nfs/dbraw/zinc/42/44/09/815424409.db2.gz XMGRCKYPWWGEGN-UHFFFAOYSA-N -1 3 281.718 3.389 20 0 CGADHM COC(=O)c1occc1Nc1c(Cl)ccc([O-])c1F ZINC001214556571 815422925 /nfs/dbraw/zinc/42/29/25/815422925.db2.gz YIHCLIBKQRLHKO-UHFFFAOYSA-N -1 3 285.658 3.308 20 0 CGADHM COc1ccc(Nc2c(Cl)ccc([O-])c2F)nc1OC ZINC001214554449 815422985 /nfs/dbraw/zinc/42/29/85/815422985.db2.gz RJLJXGDPTYAREB-UHFFFAOYSA-N -1 3 298.701 3.341 20 0 CGADHM [O-]c1ccc(Cl)c(Nc2cccnc2F)c1F ZINC001214554499 815423425 /nfs/dbraw/zinc/42/34/25/815423425.db2.gz SINUITXYWDPLOW-UHFFFAOYSA-N -1 3 256.639 3.462 20 0 CGADHM Cc1cc(N)cc2cnn(-c3c(Cl)ccc([O-])c3F)c21 ZINC001214565131 815425521 /nfs/dbraw/zinc/42/55/21/815425521.db2.gz ZLVCHHSJFZXPSJ-UHFFFAOYSA-N -1 3 291.713 3.414 20 0 CGADHM CN(CC1CCCCC1)C(=O)c1ccc(Cl)[n-]c1=O ZINC001195135317 811212576 /nfs/dbraw/zinc/21/25/76/811212576.db2.gz UVVIZDLDSVNELI-UHFFFAOYSA-N -1 3 282.771 3.093 20 0 CGADHM O=C(Nc1cncc([O-])c1)c1cc(Cl)c(Cl)s1 ZINC001195170275 811221598 /nfs/dbraw/zinc/22/15/98/811221598.db2.gz ZEROOCKJSZFZFA-UHFFFAOYSA-N -1 3 289.143 3.408 20 0 CGADHM [O-]c1cc(Nc2cccc(F)c2CO)c(F)cc1F ZINC001214615279 815432553 /nfs/dbraw/zinc/43/25/53/815432553.db2.gz SKTVAEBKQXTHSS-UHFFFAOYSA-N -1 3 269.222 3.045 20 0 CGADHM COc1cccc(NC(=S)Nc2c([O-])cccc2F)c1 ZINC001196049841 811314565 /nfs/dbraw/zinc/31/45/65/811314565.db2.gz IZLKDGDUZXVMFB-UHFFFAOYSA-N -1 3 292.335 3.349 20 0 CGADHM CCCOc1ccc(Cl)cc1Nc1cnc[n-]c1=O ZINC001201444274 811852049 /nfs/dbraw/zinc/85/20/49/811852049.db2.gz PQQZQLSVAVTXJF-UHFFFAOYSA-N -1 3 279.727 3.368 20 0 CGADHM O=C(Nc1ccc([O-])c(F)c1)N[C@@H]1C[C@H]1c1ccccc1 ZINC001201933898 811976888 /nfs/dbraw/zinc/97/68/88/811976888.db2.gz JURWSQHGTMLSMZ-GXTWGEPZSA-N -1 3 286.306 3.209 20 0 CGADHM COCOc1cc(C)c(Nc2ncc(F)cc2[O-])c(C)c1 ZINC001215161601 815489797 /nfs/dbraw/zinc/48/97/97/815489797.db2.gz HMFWCBQDSSYJOR-UHFFFAOYSA-N -1 3 292.310 3.269 20 0 CGADHM [O-]c1cccc(O)c1-c1nc(-c2cccc(F)c2F)no1 ZINC001215302274 815505637 /nfs/dbraw/zinc/50/56/37/815505637.db2.gz XDDRCGQXQOYSSI-UHFFFAOYSA-N -1 3 290.225 3.093 20 0 CGADHM [O-]c1cc(Nc2ccc(F)c3n[nH]cc32)c(F)cc1F ZINC001215377643 815512264 /nfs/dbraw/zinc/51/22/64/815512264.db2.gz WIMCYGGSTZCZNR-UHFFFAOYSA-N -1 3 279.221 3.429 20 0 CGADHM CNc1ccc(Nc2cccc([O-])c2Cl)c(F)n1 ZINC001203362404 812325023 /nfs/dbraw/zinc/32/50/23/812325023.db2.gz YNRILLVHNHMEAP-UHFFFAOYSA-N -1 3 267.691 3.365 20 0 CGADHM C[C@@]1(F)CCCCN(Cc2ccc(C(=O)[O-])cc2)C1 ZINC001204150310 812556975 /nfs/dbraw/zinc/55/69/75/812556975.db2.gz FHVQDBUVVAQDBB-OAHLLOKOSA-N -1 3 265.328 3.099 20 0 CGADHM [O-]c1ccc(Nc2ccc(F)c(CO)c2F)c(F)c1F ZINC001215652031 815554355 /nfs/dbraw/zinc/55/43/55/815554355.db2.gz VFZJIAFDNCEORT-UHFFFAOYSA-N -1 3 287.212 3.185 20 0 CGADHM COc1nc(-c2ccc([O-])cc2C(F)(F)F)ncc1F ZINC001205066308 812844191 /nfs/dbraw/zinc/84/41/91/812844191.db2.gz KNJULSVZCMKZMI-UHFFFAOYSA-N -1 3 288.200 3.016 20 0 CGADHM [O-]c1ccc(-c2ncc3cc[nH]c3n2)c(C(F)(F)F)c1 ZINC001205066268 812844700 /nfs/dbraw/zinc/84/47/00/812844700.db2.gz IMUACRCXAMGZJH-UHFFFAOYSA-N -1 3 279.221 3.301 20 0 CGADHM Fc1cc(F)c(-c2cccc(-c3nnn[n-]3)c2)c(F)c1F ZINC001205184902 812901366 /nfs/dbraw/zinc/90/13/66/812901366.db2.gz FOARGHHYRJMKCI-UHFFFAOYSA-N -1 3 294.211 3.090 20 0 CGADHM Fc1cc(F)c(-c2cccc(-c3nn[n-]n3)c2)c(F)c1F ZINC001205184902 812901373 /nfs/dbraw/zinc/90/13/73/812901373.db2.gz FOARGHHYRJMKCI-UHFFFAOYSA-N -1 3 294.211 3.090 20 0 CGADHM [O-]c1ccc(-c2cnc(C(F)(F)F)cn2)c(F)c1 ZINC001206021349 813169291 /nfs/dbraw/zinc/16/92/91/813169291.db2.gz LVPVJDODQCPENL-UHFFFAOYSA-N -1 3 258.174 3.007 20 0 CGADHM CCOC(=O)Cc1ccnc(-c2ccc([O-])cc2F)c1C ZINC001206037726 813175363 /nfs/dbraw/zinc/17/53/63/813175363.db2.gz MUYNLAODCXBWCU-UHFFFAOYSA-N -1 3 289.306 3.007 20 0 CGADHM CSc1c[nH]c2ncnc(-c3ccc([O-])cc3F)c12 ZINC001206037004 813175383 /nfs/dbraw/zinc/17/53/83/813175383.db2.gz AQBGBGXIGOKQBF-UHFFFAOYSA-N -1 3 275.308 3.143 20 0 CGADHM CSc1ncc2c(ccnc2-c2ccc([O-])cc2F)n1 ZINC001206038160 813177195 /nfs/dbraw/zinc/17/71/95/813177195.db2.gz SOFSAOMACDXAIS-UHFFFAOYSA-N -1 3 287.319 3.258 20 0 CGADHM COc1cc(C)c2ncnc(-c3ccc([O-])cc3F)c2c1 ZINC001206051778 813183511 /nfs/dbraw/zinc/18/35/11/813183511.db2.gz RKRCNHFXWWZYCL-UHFFFAOYSA-N -1 3 284.290 3.459 20 0 CGADHM COc1ccnc2cc(-c3ccc([O-])cc3F)cnc21 ZINC001206089104 813197539 /nfs/dbraw/zinc/19/75/39/813197539.db2.gz VLPHWDGANNODSA-UHFFFAOYSA-N -1 3 270.263 3.150 20 0 CGADHM Nc1ccnc2cc(-c3csc(C(=O)[O-])c3)ccc12 ZINC001206290850 813273397 /nfs/dbraw/zinc/27/33/97/813273397.db2.gz CRRQTMIEECEWQG-UHFFFAOYSA-N -1 3 270.313 3.244 20 0 CGADHM CC1(C)CCC[C@@H](CNCc2ccc([O-])c(F)c2F)O1 ZINC001207735599 813641777 /nfs/dbraw/zinc/64/17/77/813641777.db2.gz LGXDJQCPFKFTLT-NSHDSACASA-N -1 3 285.334 3.108 20 0 CGADHM [O-]c1cc(Nc2ccc3c(c2)NCCO3)c(F)cc1F ZINC001209796025 814142710 /nfs/dbraw/zinc/14/27/10/814142710.db2.gz FHNALYLDCCBZPQ-UHFFFAOYSA-N -1 3 278.258 3.218 20 0 CGADHM [O-]c1cc(Nc2ccc3[nH]cnc3c2)c(F)cc1F ZINC001209847446 814164640 /nfs/dbraw/zinc/16/46/40/814164640.db2.gz QGJYKXFPRCYYFE-UHFFFAOYSA-N -1 3 261.231 3.290 20 0 CGADHM CCCOc1ccc(Nc2ccc(C(N)=O)c([O-])c2)cc1 ZINC001209867824 814176924 /nfs/dbraw/zinc/17/69/24/814176924.db2.gz UJQYDFGJZZUGBS-UHFFFAOYSA-N -1 3 286.331 3.024 20 0 CGADHM Cc1cc(N)ncc1Nc1cc([O-])c(Cl)cc1F ZINC001209967305 814217583 /nfs/dbraw/zinc/21/75/83/814217583.db2.gz NCGZAKYEZWBJLN-UHFFFAOYSA-N -1 3 267.691 3.214 20 0 CGADHM [O-]c1c(Cl)cccc1Nc1cnc2ccc(Cl)nn21 ZINC001210216620 814346146 /nfs/dbraw/zinc/34/61/46/814346146.db2.gz ZGCQMEVVWAZVPB-UHFFFAOYSA-N -1 3 295.129 3.485 20 0 CGADHM COC(=O)c1scnc1Nc1cccc(Cl)c1[O-] ZINC001210220478 814348625 /nfs/dbraw/zinc/34/86/25/814348625.db2.gz XEMNEHNYFGUNLB-UHFFFAOYSA-N -1 3 284.724 3.032 20 0 CGADHM NC(=O)Nc1cccc(Nc2cccc(Cl)c2[O-])c1 ZINC001210222783 814350793 /nfs/dbraw/zinc/35/07/93/814350793.db2.gz DOCOYJWEWLCFAY-UHFFFAOYSA-N -1 3 277.711 3.280 20 0 CGADHM [O-]c1cccc(Nc2cncc(Cl)n2)c1Cl ZINC001210845130 814650405 /nfs/dbraw/zinc/65/04/05/814650405.db2.gz SFNLJQPHCAUGJY-UHFFFAOYSA-N -1 3 256.092 3.233 20 0 CGADHM COc1ncc(F)cc1Nc1cccc([O-])c1Cl ZINC001210853813 814650556 /nfs/dbraw/zinc/65/05/56/814650556.db2.gz LFTXIXOXYBSTSZ-UHFFFAOYSA-N -1 3 268.675 3.332 20 0 CGADHM COC(=O)c1cccc(O)c1Nc1cccc([O-])c1Cl ZINC001210855343 814652245 /nfs/dbraw/zinc/65/22/45/814652245.db2.gz XDZFODNJTFIMPQ-UHFFFAOYSA-N -1 3 293.706 3.281 20 0 CGADHM O=C([O-])c1ccccc1Nc1ccnc(C2CC2)c1 ZINC001210965243 814693410 /nfs/dbraw/zinc/69/34/10/814693410.db2.gz JLANSDHWECZODA-UHFFFAOYSA-N -1 3 254.289 3.401 20 0 CGADHM [O-]c1c(F)cc(Br)cc1Nc1nccs1 ZINC001210994214 814703226 /nfs/dbraw/zinc/70/32/26/814703226.db2.gz QYHHPMOHTRGCEI-UHFFFAOYSA-N -1 3 289.129 3.494 20 0 CGADHM O=c1cc(Nc2cncc(-c3ccccc3)c2)[nH]c(=S)[n-]1 ZINC001211022079 814709849 /nfs/dbraw/zinc/70/98/49/814709849.db2.gz OKGIWSCMYJOVOT-UHFFFAOYSA-N -1 3 296.355 3.277 20 0 CGADHM CSc1ccc(Nc2cc(=O)[n-]c(C)n2)cc1F ZINC001211108748 814748747 /nfs/dbraw/zinc/74/87/47/814748747.db2.gz LYYZMIUSWOFVPI-UHFFFAOYSA-N -1 3 265.313 3.095 20 0 CGADHM Cc1ncc(Nc2cccc(-c3cccnc3)c2)c(=O)[n-]1 ZINC001211143073 814837394 /nfs/dbraw/zinc/83/73/94/814837394.db2.gz LCTKAODUHXWTSJ-UHFFFAOYSA-N -1 3 278.315 3.296 20 0 CGADHM [O-]c1cc(Cl)cnc1Nc1ccc(F)c(O)c1 ZINC001211215919 814852497 /nfs/dbraw/zinc/85/24/97/814852497.db2.gz QFTMOYRWWUBPPZ-UHFFFAOYSA-N -1 3 254.648 3.029 20 0 CGADHM COc1ccc2c(c1Nc1ccc(F)c([O-])c1)C(=O)CC2 ZINC001211220273 814853805 /nfs/dbraw/zinc/85/38/05/814853805.db2.gz AXSFRKNSLMZPON-UHFFFAOYSA-N -1 3 287.290 3.412 20 0 CGADHM NC(=O)c1ccc(Nc2cc(F)cc(F)c2Cl)cc1[O-] ZINC001215953349 815639654 /nfs/dbraw/zinc/63/96/54/815639654.db2.gz NIUHOWJHDLUCDO-UHFFFAOYSA-N -1 3 298.676 3.166 20 0 CGADHM O=c1[n-]cncc1Nc1c(F)ccc(C2CC2)c1F ZINC001215992787 815654250 /nfs/dbraw/zinc/65/42/50/815654250.db2.gz JIAQMKFOUNEBKU-UHFFFAOYSA-N -1 3 263.247 3.081 20 0 CGADHM Cc1cc(Nc2ncc(Cl)cc2[O-])cc(O)c1F ZINC001216078939 815684719 /nfs/dbraw/zinc/68/47/19/815684719.db2.gz OCRRYEQNMOSBOK-UHFFFAOYSA-N -1 3 268.675 3.337 20 0 CGADHM Cc1nc(Nc2cccc(-c3ccncc3)c2)cc(=O)[n-]1 ZINC001216144750 815714199 /nfs/dbraw/zinc/71/41/99/815714199.db2.gz KSUFUSWBHPSAIH-UHFFFAOYSA-N -1 3 278.315 3.296 20 0 CGADHM Cc1cc(Cl)ncc1Nc1ncc(F)cc1[O-] ZINC001216277360 815765791 /nfs/dbraw/zinc/76/57/91/815765791.db2.gz DBJBCUUEZSIZDN-UHFFFAOYSA-N -1 3 253.664 3.027 20 0 CGADHM CCOC(=O)c1c(C)ccnc1-c1ccc(F)c([O-])c1 ZINC001243046703 823223823 /nfs/dbraw/zinc/22/38/23/823223823.db2.gz GCCUJHPAFRCWLX-UHFFFAOYSA-N -1 3 275.279 3.078 20 0 CGADHM CSc1cc(-c2ccc(F)c([O-])c2)nc(C)n1 ZINC001243046960 823224299 /nfs/dbraw/zinc/22/42/99/823224299.db2.gz AOHHFAKVONDQQI-UHFFFAOYSA-N -1 3 250.298 3.019 20 0 CGADHM CCOC(=O)c1cc(C)cc(-c2ccc(F)c([O-])c2)n1 ZINC001243047280 823224578 /nfs/dbraw/zinc/22/45/78/823224578.db2.gz FJYWZCXRTHQDHD-UHFFFAOYSA-N -1 3 275.279 3.078 20 0 CGADHM COC(=O)c1nc2c(cccc2-c2ccc(F)c([O-])c2)o1 ZINC001243049986 823226893 /nfs/dbraw/zinc/22/68/93/823226893.db2.gz DHDIQMZQGMJIGK-UHFFFAOYSA-N -1 3 287.246 3.126 20 0 CGADHM [O-]c1cc(-c2ncnc3c2CCCCC3)ccc1F ZINC001243051673 823228373 /nfs/dbraw/zinc/22/83/73/823228373.db2.gz XDQXLDSBZAAGDR-UHFFFAOYSA-N -1 3 258.296 3.257 20 0 CGADHM [O-]c1coc2cc(OC[C@H]3CCc4ccccc4O3)ccc12 ZINC001225339658 817016204 /nfs/dbraw/zinc/01/62/04/817016204.db2.gz NXUCGOOJUGIELP-CQSZACIVSA-N -1 3 296.322 3.034 20 0 CGADHM [O-]c1coc2cc(O[C@@H]3CCc4ccccc43)ccc12 ZINC001225339331 817016575 /nfs/dbraw/zinc/01/65/75/817016575.db2.gz HOHFXIFKSAAKSP-MRXNPFEDSA-N -1 3 266.296 3.328 20 0 CGADHM O=c1ncc(C(F)(F)F)c(O[C@@H]2CCc3ccccc32)[n-]1 ZINC001225577331 817098378 /nfs/dbraw/zinc/09/83/78/817098378.db2.gz VKAAZIIGORPHQQ-LLVKDONJSA-N -1 3 296.248 3.267 20 0 CGADHM Cc1cnc(=S)[n-]c1O[C@@H](C)c1cccc(F)c1 ZINC001225742564 817163582 /nfs/dbraw/zinc/16/35/82/817163582.db2.gz MEWZNBPDDVAUHH-VIFPVBQESA-N -1 3 264.325 3.353 20 0 CGADHM C[C@H](Oc1cc(C(F)(F)F)[n-]c(=S)n1)C1CCC1 ZINC001225852348 817196727 /nfs/dbraw/zinc/19/67/27/817196727.db2.gz GWPFJZCEZGDNHY-LURJTMIESA-N -1 3 278.299 3.352 20 0 CGADHM CC(=O)c1cnc(=O)[n-]c1O[C@@H](C)c1csc(Cl)c1 ZINC001226240739 817307258 /nfs/dbraw/zinc/30/72/58/817307258.db2.gz UUHXZQKJEQWKTJ-ZETCQYMHSA-N -1 3 298.751 3.240 20 0 CGADHM CC(=O)c1ccc([O-])c(O[C@H]2CC3CCC2CC3)c1O ZINC001226483318 817371162 /nfs/dbraw/zinc/37/11/62/817371162.db2.gz VREUCJDLALFOMD-MGULZYLOSA-N -1 3 276.332 3.258 20 0 CGADHM CC[C@H](Oc1cc(=O)[n-]c(C)n1)c1ccccc1F ZINC001226512086 817380626 /nfs/dbraw/zinc/38/06/26/817380626.db2.gz MOQYQTYXUDCTJB-LBPRGKRZSA-N -1 3 262.284 3.160 20 0 CGADHM COc1cnc(=O)[n-]c1O[C@H]1Cc2cccc3cccc1c23 ZINC001226822557 817475873 /nfs/dbraw/zinc/47/58/73/817475873.db2.gz NRMDZTFMGLEBKX-ZDUSSCGKSA-N -1 3 294.310 3.020 20 0 CGADHM S=c1nccc(O[C@@H](c2ccccc2)c2ccccn2)[n-]1 ZINC001226939488 817511056 /nfs/dbraw/zinc/51/10/56/817511056.db2.gz ITOULQUSEISCDD-HNNXBMFYSA-N -1 3 295.367 3.329 20 0 CGADHM Cc1ccc(OC(C)C)c(COc2ccnc(=S)[n-]2)c1 ZINC001226939977 817511575 /nfs/dbraw/zinc/51/15/75/817511575.db2.gz MEKYVJNKHMRFBK-UHFFFAOYSA-N -1 3 290.388 3.440 20 0 CGADHM S=c1nccc(O[C@@H]2CCCc3ccccc32)[n-]1 ZINC001226940713 817511648 /nfs/dbraw/zinc/51/16/48/817511648.db2.gz UKCVIEVALLVMJZ-GFCCVEGCSA-N -1 3 258.346 3.222 20 0 CGADHM C[C@@H](Oc1cnc[n-]c1=O)c1c(Cl)cncc1Cl ZINC001227050962 817544834 /nfs/dbraw/zinc/54/48/34/817544834.db2.gz DWYMIZUHSYJGJQ-ZCFIWIBFSA-N -1 3 286.118 3.024 20 0 CGADHM CCc1cnc(=S)[n-]c1O[C@@H]1CCCc2cccnc21 ZINC001227061690 817546696 /nfs/dbraw/zinc/54/66/96/817546696.db2.gz MKHPBBWKMWCUAU-GFCCVEGCSA-N -1 3 287.388 3.179 20 0 CGADHM C[C@H](Cc1ccco1)Oc1cc(=O)cc(C(F)(F)F)[n-]1 ZINC001227584815 817675837 /nfs/dbraw/zinc/67/58/37/817675837.db2.gz VEYOEEDWXRXNDP-MRVPVSSYSA-N -1 3 287.237 3.409 20 0 CGADHM O=c1cc(O[C@H]2CCCC[C@H]2F)[n-]c(C(F)(F)F)c1 ZINC001227585350 817675984 /nfs/dbraw/zinc/67/59/84/817675984.db2.gz YUYHWDBSEZWYCI-BDAKNGLRSA-N -1 3 279.233 3.466 20 0 CGADHM C[C@H]1CCC[C@@H]1Oc1cc(=O)cc(C(F)(F)F)[n-]1 ZINC001227587831 817677651 /nfs/dbraw/zinc/67/76/51/817677651.db2.gz ZFEUJQYPOOZAME-CBAPKCEASA-N -1 3 261.243 3.373 20 0 CGADHM CCOC[C@@H](C)Oc1c([O-])cc(Br)cc1F ZINC001227589034 817678090 /nfs/dbraw/zinc/67/80/90/817678090.db2.gz XQQCGMMJGHHMHR-SSDOTTSWSA-N -1 3 293.132 3.098 20 0 CGADHM CCCC[C@@H](CCC)Oc1nc(C(=O)OC)ccc1[O-] ZINC001227824688 817727782 /nfs/dbraw/zinc/72/77/82/817727782.db2.gz JBLHFCVBDIMKSS-LLVKDONJSA-N -1 3 281.352 3.312 20 0 CGADHM C[C@@H](Oc1ncc(Cl)cc1[O-])c1ncccc1F ZINC001227979918 817772141 /nfs/dbraw/zinc/77/21/41/817772141.db2.gz IHHCFEWDEMPMFU-SSDOTTSWSA-N -1 3 268.675 3.115 20 0 CGADHM CC(C)Oc1ncccc1COc1ncc(Cl)cc1[O-] ZINC001227983093 817773165 /nfs/dbraw/zinc/77/31/65/817773165.db2.gz LYTGCTIXRSWDEX-UHFFFAOYSA-N -1 3 294.738 3.202 20 0 CGADHM CCCc1c([O-])ccc(C(C)=O)c1O[C@@H]1CCO[C@H](C)C1 ZINC001228134791 817820741 /nfs/dbraw/zinc/82/07/41/817820741.db2.gz RDWQQLFIWDLRDG-DGCLKSJQSA-N -1 3 292.375 3.494 20 0 CGADHM Cc1cc(=O)oc2c1ccc([O-])c2OC(C1CC1)C1CC1 ZINC001228622730 817956285 /nfs/dbraw/zinc/95/62/85/817956285.db2.gz KDUIXQXHKQWMBL-UHFFFAOYSA-N -1 3 286.327 3.374 20 0 CGADHM Cc1cc(=O)oc2c1ccc([O-])c2O[C@@H]1CCC(F)(F)C1 ZINC001228625341 817956408 /nfs/dbraw/zinc/95/64/08/817956408.db2.gz QLWFKZZGMRQEHN-SECBINFHSA-N -1 3 296.269 3.374 20 0 CGADHM COc1cccc([C@H](C)Oc2n[n-]c(-c3ccncc3)n2)c1 ZINC001228696868 817976879 /nfs/dbraw/zinc/97/68/79/817976879.db2.gz CWCQKJAJKUAVBX-NSHDSACASA-N -1 3 296.330 3.015 20 0 CGADHM C[C@@H](Oc1nnc(-c2cccnc2)[n-]1)c1cccc(F)c1 ZINC001228696385 817978262 /nfs/dbraw/zinc/97/82/62/817978262.db2.gz WCVVQHWYPFMQPA-SNVBAGLBSA-N -1 3 284.294 3.146 20 0 CGADHM C[C@@H](Oc1nc(-c2cccnc2)n[n-]1)c1cccc(F)c1 ZINC001228696385 817978267 /nfs/dbraw/zinc/97/82/67/817978267.db2.gz WCVVQHWYPFMQPA-SNVBAGLBSA-N -1 3 284.294 3.146 20 0 CGADHM C[C@@H](Oc1n[n-]c(-c2cccnc2)n1)c1cccc(F)c1 ZINC001228696385 817978274 /nfs/dbraw/zinc/97/82/74/817978274.db2.gz WCVVQHWYPFMQPA-SNVBAGLBSA-N -1 3 284.294 3.146 20 0 CGADHM CC(C)C[C@@H](Oc1n[n-]c(-c2ccncc2)n1)C(C)C ZINC001228698657 817979576 /nfs/dbraw/zinc/97/95/76/817979576.db2.gz ZJPNFACVGQSPGK-CYBMUJFWSA-N -1 3 274.368 3.316 20 0 CGADHM O=C1CCc2cc([O-])c(O[C@@H]3CCCC[C@H]3F)cc21 ZINC001228854288 818023246 /nfs/dbraw/zinc/02/32/46/818023246.db2.gz QMUQLLNKELVPCP-BXUZGUMPSA-N -1 3 264.296 3.181 20 0 CGADHM O=C1CCc2cc([O-])c(O[C@H]3CCC(F)(F)C3)cc21 ZINC001228856230 818025396 /nfs/dbraw/zinc/02/53/96/818025396.db2.gz ZXFXVKQFEAOZTO-VIFPVBQESA-N -1 3 268.259 3.088 20 0 CGADHM CC1(C)CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001231118550 818035740 /nfs/dbraw/zinc/03/57/40/818035740.db2.gz RGDXAZWTARIRHO-UHFFFAOYSA-N -1 3 272.352 3.214 20 0 CGADHM CC1(C)CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001231118550 818035743 /nfs/dbraw/zinc/03/57/43/818035743.db2.gz RGDXAZWTARIRHO-UHFFFAOYSA-N -1 3 272.352 3.214 20 0 CGADHM CC(C)OC1CN(Cc2ccc([O-])c(C(F)(F)F)c2)C1 ZINC001231525357 818121126 /nfs/dbraw/zinc/12/11/26/818121126.db2.gz CURNJERXBNKUMG-UHFFFAOYSA-N -1 3 289.297 3.020 20 0 CGADHM CN(Cc1ccc(Cl)c([O-])c1)C1CC(F)(F)C1 ZINC001231733256 818161466 /nfs/dbraw/zinc/16/14/66/818161466.db2.gz PDQHXYAQUNMBMP-UHFFFAOYSA-N -1 3 261.699 3.275 20 0 CGADHM [O-]c1cccc(CN2CC[C@@H]3CCCO[C@H]3C2)c1Cl ZINC001232785694 818439328 /nfs/dbraw/zinc/43/93/28/818439328.db2.gz HFOWTMHKYBCRSU-FZMZJTMJSA-N -1 3 281.783 3.047 20 0 CGADHM [O-]c1c(F)ccc(CN2CC3CCC2CC3)c1F ZINC001232934487 818475751 /nfs/dbraw/zinc/47/57/51/818475751.db2.gz GPYOTKSUOXPMHU-UHFFFAOYSA-N -1 3 253.292 3.045 20 0 CGADHM C[C@H]1CN(Cc2cccc([O-])c2F)CCC1(F)F ZINC001233050191 818511154 /nfs/dbraw/zinc/51/11/54/818511154.db2.gz LUWAHERNMOSNMW-VIFPVBQESA-N -1 3 259.271 3.008 20 0 CGADHM [O-]c1cccc(CN2CCC[C@H](C(F)(F)F)C2)c1F ZINC001233052218 818511403 /nfs/dbraw/zinc/51/14/03/818511403.db2.gz IKHHXYNJNACQNF-JTQLQIEISA-N -1 3 277.261 3.306 20 0 CGADHM CN(Cc1ccccc1F)Cc1cccc([O-])c1F ZINC001233052972 818513451 /nfs/dbraw/zinc/51/34/51/818513451.db2.gz FRHCIXUMLZLJJK-UHFFFAOYSA-N -1 3 263.287 3.302 20 0 CGADHM [O-]c1cccc(CN2CCO[C@@H](c3ccccc3)C2)c1F ZINC001233052271 818513834 /nfs/dbraw/zinc/51/38/34/818513834.db2.gz BLBQEBRMHPWBQW-MRXNPFEDSA-N -1 3 287.334 3.105 20 0 CGADHM COCC[C@H]1CCCCN1Cc1c(F)ccc([O-])c1F ZINC001233395565 818608862 /nfs/dbraw/zinc/60/88/62/818608862.db2.gz CBHUTUXLDTWCKV-LLVKDONJSA-N -1 3 285.334 3.061 20 0 CGADHM C[C@H]1CN(Cc2c(F)ccc([O-])c2F)C2(CC2)C1 ZINC001233396728 818610314 /nfs/dbraw/zinc/61/03/14/818610314.db2.gz RUHVYQHAOXFHOD-SECBINFHSA-N -1 3 253.292 3.045 20 0 CGADHM Cc1ncccc1CN(C)Cc1c(F)ccc([O-])c1F ZINC001233396785 818611331 /nfs/dbraw/zinc/61/13/31/818611331.db2.gz VVRLKLLOZVUMOI-UHFFFAOYSA-N -1 3 278.302 3.006 20 0 CGADHM CC(C)Oc1cncc(COc2ccc3occ([O-])c3c2)c1 ZINC001233681111 818678605 /nfs/dbraw/zinc/67/86/05/818678605.db2.gz RWSAIAMJXSDBCX-UHFFFAOYSA-N -1 3 299.326 3.023 20 0 CGADHM COc1ccc([C@H](C)Oc2cccc([O-])c2F)cn1 ZINC001233871455 818721943 /nfs/dbraw/zinc/72/19/43/818721943.db2.gz OLWOCCUSKHFBHU-VIFPVBQESA-N -1 3 263.268 3.075 20 0 CGADHM CCC[C@H](CC(=O)OCC)Oc1cccc([O-])c1F ZINC001233872467 818722316 /nfs/dbraw/zinc/72/23/16/818722316.db2.gz UQDIOJXUGLZGSW-SNVBAGLBSA-N -1 3 270.300 3.032 20 0 CGADHM COc1cccc(OC[C@H](C)Oc2cccc([O-])c2F)c1 ZINC001233871014 818722343 /nfs/dbraw/zinc/72/23/43/818722343.db2.gz KTPNYQYSTZRVTC-NSHDSACASA-N -1 3 292.306 3.386 20 0 CGADHM [O-]c1cccc(O[C@@H]2COCc3ccccc32)c1F ZINC001233870825 818722665 /nfs/dbraw/zinc/72/26/65/818722665.db2.gz JAAKZPZUZBAFJW-CQSZACIVSA-N -1 3 260.264 3.182 20 0 CGADHM C[C@@H](Oc1nc[n-]c(=O)c1-c1ccccc1)c1cccnc1 ZINC001234687835 818914114 /nfs/dbraw/zinc/91/41/14/818914114.db2.gz CHXWBWNKMVEGKJ-GFCCVEGCSA-N -1 3 293.326 3.384 20 0 CGADHM COc1cc([O-])c(C)c(O[C@H]2CC[C@H](C)C2)c1C(C)=O ZINC001234791778 818924089 /nfs/dbraw/zinc/92/40/89/818924089.db2.gz RFZILYSCQWTYFG-CABZTGNLSA-N -1 3 278.348 3.479 20 0 CGADHM CCOC(=O)c1ccnc(-c2cc([O-])cc(Cl)c2)c1 ZINC001235898645 819208275 /nfs/dbraw/zinc/20/82/75/819208275.db2.gz AMXAIDOCEZWCAL-UHFFFAOYSA-N -1 3 277.707 3.284 20 0 CGADHM CCOC(=O)c1ccc(-c2cc([O-])cc(Cl)c2)nc1 ZINC001235898918 819209216 /nfs/dbraw/zinc/20/92/16/819209216.db2.gz FVQQRDDVOMIFHC-UHFFFAOYSA-N -1 3 277.707 3.284 20 0 CGADHM CC(C)Oc1nccnc1-c1cc([O-])cc(Cl)c1 ZINC001235898816 819209280 /nfs/dbraw/zinc/20/92/80/819209280.db2.gz DJEPESPQDQWHDK-UHFFFAOYSA-N -1 3 264.712 3.290 20 0 CGADHM CC1(c2ccnc(-c3cc([O-])cc(Cl)c3)c2)OCCO1 ZINC001235899650 819209742 /nfs/dbraw/zinc/20/97/42/819209742.db2.gz SBIMGHJRNDOBDT-UHFFFAOYSA-N -1 3 291.734 3.327 20 0 CGADHM CC(C)Oc1cccc(-c2ccccc2-c2nnn[n-]2)c1F ZINC001243450908 823408366 /nfs/dbraw/zinc/40/83/66/823408366.db2.gz JMLGZWBWQPBWIM-UHFFFAOYSA-N -1 3 298.321 3.460 20 0 CGADHM CC(C)Oc1cccc(-c2ccccc2-c2nn[n-]n2)c1F ZINC001243450908 823408369 /nfs/dbraw/zinc/40/83/69/823408369.db2.gz JMLGZWBWQPBWIM-UHFFFAOYSA-N -1 3 298.321 3.460 20 0 CGADHM CN(Cc1cccc(F)c1)Cc1ccc(F)c([O-])c1 ZINC001236701364 819574988 /nfs/dbraw/zinc/57/49/88/819574988.db2.gz FEPKWXVELOIJHZ-UHFFFAOYSA-N -1 3 263.287 3.302 20 0 CGADHM Cc1ccc2c(c1)CN(Cc1ccc(F)c([O-])c1)CC2 ZINC001236704638 819576270 /nfs/dbraw/zinc/57/62/70/819576270.db2.gz WUSKTTTYQNYYNB-UHFFFAOYSA-N -1 3 271.335 3.398 20 0 CGADHM [O-]c1cc(CN2CCC[C@@H]2c2ccncc2)ccc1F ZINC001236704587 819577556 /nfs/dbraw/zinc/57/75/56/819577556.db2.gz DFTWLHWPMILATJ-OAHLLOKOSA-N -1 3 272.323 3.263 20 0 CGADHM CN(Cc1ccc(Cl)nc1)Cc1ccc(F)c([O-])c1 ZINC001236709787 819579063 /nfs/dbraw/zinc/57/90/63/819579063.db2.gz IETSUQIGHRZRAD-UHFFFAOYSA-N -1 3 280.730 3.212 20 0 CGADHM CSc1cc(-c2cccc([O-])c2F)nc(C)n1 ZINC001243544801 823437115 /nfs/dbraw/zinc/43/71/15/823437115.db2.gz ZGDGUFWHJXLBBQ-UHFFFAOYSA-N -1 3 250.298 3.019 20 0 CGADHM C[C@@H]1C(=O)Nc2ccc(-c3cccc([O-])c3F)cc21 ZINC001243544622 823437380 /nfs/dbraw/zinc/43/73/80/823437380.db2.gz IJYKKCIHNYWNAN-QMMMGPOBSA-N -1 3 257.264 3.254 20 0 CGADHM COc1c(F)ccc(F)c1-c1cccc([O-])c1F ZINC001243545602 823438325 /nfs/dbraw/zinc/43/83/25/823438325.db2.gz NVAVMENTJGQVRD-UHFFFAOYSA-N -1 3 254.207 3.485 20 0 CGADHM O=C1c2c(cccc2-c2cccc([O-])c2F)CN1C1CC1 ZINC001243546919 823438950 /nfs/dbraw/zinc/43/89/50/823438950.db2.gz USZQCJPPBDFJGN-UHFFFAOYSA-N -1 3 283.302 3.317 20 0 CGADHM O=C1CCc2cccc(-c3cccc([O-])c3F)c2N1 ZINC001243547239 823439620 /nfs/dbraw/zinc/43/96/20/823439620.db2.gz OLUHFAYBKZJCII-UHFFFAOYSA-N -1 3 257.264 3.083 20 0 CGADHM Cc1cc(-c2cccc([O-])c2F)ccc1N1CCOCC1 ZINC001243547229 823439774 /nfs/dbraw/zinc/43/97/74/823439774.db2.gz OALFDUNBELGXEU-UHFFFAOYSA-N -1 3 287.334 3.343 20 0 CGADHM [O-]c1cc(C(F)(F)F)ccc1-c1cncc2nccnc21 ZINC001243610883 823467181 /nfs/dbraw/zinc/46/71/81/823467181.db2.gz AJSDQMYAWJOYEI-UHFFFAOYSA-N -1 3 291.232 3.416 20 0 CGADHM COc1ccc(-c2nnn[n-]2)cc1-c1cc(C)cc(C)c1 ZINC001239525588 820374455 /nfs/dbraw/zinc/37/44/55/820374455.db2.gz WUOBNFWCHPWWPF-UHFFFAOYSA-N -1 3 280.331 3.159 20 0 CGADHM COc1ccc(-c2nn[n-]n2)cc1-c1cc(C)cc(C)c1 ZINC001239525588 820374465 /nfs/dbraw/zinc/37/44/65/820374465.db2.gz WUOBNFWCHPWWPF-UHFFFAOYSA-N -1 3 280.331 3.159 20 0 CGADHM CSc1c(F)cc(-c2ccc(=S)[n-]n2)cc1F ZINC001243689885 823487371 /nfs/dbraw/zinc/48/73/71/823487371.db2.gz QSRJBZLXLCRPLR-UHFFFAOYSA-N -1 3 270.329 3.432 20 0 CGADHM Cn1ccc2cc(-c3ccccc3-c3nnn[n-]3)ccc21 ZINC001239940361 820721861 /nfs/dbraw/zinc/72/18/61/820721861.db2.gz FVKCWZMLOLHIDE-UHFFFAOYSA-N -1 3 275.315 3.025 20 0 CGADHM Cn1ccc2cc(-c3ccccc3-c3nn[n-]n3)ccc21 ZINC001239940361 820721868 /nfs/dbraw/zinc/72/18/68/820721868.db2.gz FVKCWZMLOLHIDE-UHFFFAOYSA-N -1 3 275.315 3.025 20 0 CGADHM CC(C)Oc1cccc(-c2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC001239970065 820749528 /nfs/dbraw/zinc/74/95/28/820749528.db2.gz FHFWAQRRYFMRHV-UHFFFAOYSA-N -1 3 298.321 3.460 20 0 CGADHM CC(C)Oc1cccc(-c2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC001239970065 820749535 /nfs/dbraw/zinc/74/95/35/820749535.db2.gz FHFWAQRRYFMRHV-UHFFFAOYSA-N -1 3 298.321 3.460 20 0 CGADHM CC(=O)OCc1cccc(Cl)c1-c1ccc(=S)[n-]n1 ZINC001243721448 823501502 /nfs/dbraw/zinc/50/15/02/823501502.db2.gz JIPPEVUNEQBRRE-UHFFFAOYSA-N -1 3 294.763 3.149 20 0 CGADHM c1cc(-c2nnn[n-]2)cc(-c2cccc3cnccc32)c1 ZINC001240010134 820777496 /nfs/dbraw/zinc/77/74/96/820777496.db2.gz HCFBPXZPTMRWSA-UHFFFAOYSA-N -1 3 273.299 3.082 20 0 CGADHM c1cc(-c2nn[n-]n2)cc(-c2cccc3cnccc32)c1 ZINC001240010134 820777500 /nfs/dbraw/zinc/77/75/00/820777500.db2.gz HCFBPXZPTMRWSA-UHFFFAOYSA-N -1 3 273.299 3.082 20 0 CGADHM Fc1cc(-c2nnn[n-]2)cc(-c2c3cc[nH]c3ccc2F)c1 ZINC001240227172 820904495 /nfs/dbraw/zinc/90/44/95/820904495.db2.gz UXBKKYXUSUJXAL-UHFFFAOYSA-N -1 3 297.268 3.293 20 0 CGADHM Fc1cc(-c2nn[n-]n2)cc(-c2c3cc[nH]c3ccc2F)c1 ZINC001240227172 820904502 /nfs/dbraw/zinc/90/45/02/820904502.db2.gz UXBKKYXUSUJXAL-UHFFFAOYSA-N -1 3 297.268 3.293 20 0 CGADHM Fc1cc(-c2ccc3ncsc3c2)ccc1-c1nnn[n-]1 ZINC001240346922 820982369 /nfs/dbraw/zinc/98/23/69/820982369.db2.gz OABKBUXGQQJNLO-UHFFFAOYSA-N -1 3 297.318 3.283 20 0 CGADHM Fc1cc(-c2ccc3ncsc3c2)ccc1-c1nn[n-]n1 ZINC001240346922 820982379 /nfs/dbraw/zinc/98/23/79/820982379.db2.gz OABKBUXGQQJNLO-UHFFFAOYSA-N -1 3 297.318 3.283 20 0 CGADHM Fc1ccc(-c2nnn[n-]2)cc1-c1ccc2occc2c1 ZINC001240425939 821047552 /nfs/dbraw/zinc/04/75/52/821047552.db2.gz RKXVENBSTWPZKD-UHFFFAOYSA-N -1 3 280.262 3.419 20 0 CGADHM Fc1ccc(-c2nn[n-]n2)cc1-c1ccc2occc2c1 ZINC001240425939 821047560 /nfs/dbraw/zinc/04/75/60/821047560.db2.gz RKXVENBSTWPZKD-UHFFFAOYSA-N -1 3 280.262 3.419 20 0 CGADHM Cc1cc(-c2cc(-c3nnn[n-]3)ccc2F)c(C)s1 ZINC001240431127 821051306 /nfs/dbraw/zinc/05/13/06/821051306.db2.gz ORDIHIRLRIBQFE-UHFFFAOYSA-N -1 3 274.324 3.351 20 0 CGADHM Cc1cc(-c2cc(-c3nn[n-]n3)ccc2F)c(C)s1 ZINC001240431127 821051316 /nfs/dbraw/zinc/05/13/16/821051316.db2.gz ORDIHIRLRIBQFE-UHFFFAOYSA-N -1 3 274.324 3.351 20 0 CGADHM CCOc1ncccc1-c1ccc2c(c1)[N-]C(=S)C2 ZINC001240497677 821093830 /nfs/dbraw/zinc/09/38/30/821093830.db2.gz UMODCISENAOMSJ-UHFFFAOYSA-N -1 3 270.357 3.443 20 0 CGADHM S=C1Cc2ccc(-c3cnc(C4CC4)nc3)cc2[N-]1 ZINC001240686324 821243221 /nfs/dbraw/zinc/24/32/21/821243221.db2.gz LWGBXPJSHKIBDA-UHFFFAOYSA-N -1 3 267.357 3.316 20 0 CGADHM COC(=O)c1c(F)ccc(F)c1-c1cc(F)ccc1[O-] ZINC001240699154 821256153 /nfs/dbraw/zinc/25/61/53/821256153.db2.gz IOYXZYFNZYQXKZ-UHFFFAOYSA-N -1 3 282.217 3.263 20 0 CGADHM Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1C ZINC001240701967 821257985 /nfs/dbraw/zinc/25/79/85/821257985.db2.gz WBBVCQFVLQTLEY-UHFFFAOYSA-N -1 3 250.305 3.151 20 0 CGADHM Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1C ZINC001240701967 821257988 /nfs/dbraw/zinc/25/79/88/821257988.db2.gz WBBVCQFVLQTLEY-UHFFFAOYSA-N -1 3 250.305 3.151 20 0 CGADHM Fc1ccc(-c2nnn[n-]2)cc1-c1cccc2[nH]ccc21 ZINC001240712446 821268096 /nfs/dbraw/zinc/26/80/96/821268096.db2.gz GCOUZRZUQYOTJR-UHFFFAOYSA-N -1 3 279.278 3.154 20 0 CGADHM Fc1ccc(-c2nn[n-]n2)cc1-c1cccc2[nH]ccc21 ZINC001240712446 821268103 /nfs/dbraw/zinc/26/81/03/821268103.db2.gz GCOUZRZUQYOTJR-UHFFFAOYSA-N -1 3 279.278 3.154 20 0 CGADHM CCOC(=O)Cc1ccnc(-c2ccc([O-])c(F)c2)c1C ZINC001240781740 821322211 /nfs/dbraw/zinc/32/22/11/821322211.db2.gz HGVVXFDAFRRWDQ-UHFFFAOYSA-N -1 3 289.306 3.007 20 0 CGADHM COC(=O)c1cc(-c2ccc([O-])c(F)c2)ccc1C ZINC001240786635 821326532 /nfs/dbraw/zinc/32/65/32/821326532.db2.gz XSPQMHFEBUGJEX-UHFFFAOYSA-N -1 3 260.264 3.293 20 0 CGADHM [O-]c1ccc(-c2ccc(-c3nnco3)cc2)cc1F ZINC001240786904 821327778 /nfs/dbraw/zinc/32/77/78/821327778.db2.gz BDDSTCDSXYHHPJ-UHFFFAOYSA-N -1 3 256.236 3.248 20 0 CGADHM CC1(C)Cc2cccc(-c3ccc([O-])c(F)c3)c2C(=O)N1 ZINC001240788160 821330283 /nfs/dbraw/zinc/33/02/83/821330283.db2.gz CNLHCPDZTQYPSC-UHFFFAOYSA-N -1 3 285.318 3.263 20 0 CGADHM CCOC(=O)c1nc2ccccc2nc1-c1ccccc1[O-] ZINC001241001602 821480624 /nfs/dbraw/zinc/48/06/24/821480624.db2.gz AXPARTAIDGDYRH-UHFFFAOYSA-N -1 3 294.310 3.179 20 0 CGADHM [O-]c1ccccc1-c1ncnc2[nH]c3c(c21)CCCC3 ZINC001241003862 821483086 /nfs/dbraw/zinc/48/30/86/821483086.db2.gz VYEARAQKJMZXTA-UHFFFAOYSA-N -1 3 265.316 3.209 20 0 CGADHM COc1ccc2nc(-c3ccccc3[O-])c(C)nc2c1 ZINC001241009826 821486438 /nfs/dbraw/zinc/48/64/38/821486438.db2.gz ZFZBUXFACXSYJG-UHFFFAOYSA-N -1 3 266.300 3.319 20 0 CGADHM Cc1ccc(-c2cncc(N3CCCCC3)n2)c([O-])c1 ZINC001241036446 821511442 /nfs/dbraw/zinc/51/14/42/821511442.db2.gz WEIPPNYZKMEWRA-UHFFFAOYSA-N -1 3 269.348 3.148 20 0 CGADHM Cc1ccc(-c2ncnc3nc(C)ccc32)c([O-])c1 ZINC001241036052 821512139 /nfs/dbraw/zinc/51/21/39/821512139.db2.gz MSOBPWNEMNGKEJ-UHFFFAOYSA-N -1 3 251.289 3.014 20 0 CGADHM Cc1ccc(-c2cc(F)cc(F)c2F)cc1-c1nnn[n-]1 ZINC001241100042 821557592 /nfs/dbraw/zinc/55/75/92/821557592.db2.gz QPYQQFHCCYCSFD-UHFFFAOYSA-N -1 3 290.248 3.259 20 0 CGADHM Cc1ccc(-c2cc(F)cc(F)c2F)cc1-c1nn[n-]n1 ZINC001241100042 821557599 /nfs/dbraw/zinc/55/75/99/821557599.db2.gz QPYQQFHCCYCSFD-UHFFFAOYSA-N -1 3 290.248 3.259 20 0 CGADHM [O-]c1cc(F)c(-c2ncccc2CN2CCCC2)c(F)c1 ZINC001241118760 821574691 /nfs/dbraw/zinc/57/46/91/821574691.db2.gz FYEFULQXKSPNMP-UHFFFAOYSA-N -1 3 290.313 3.328 20 0 CGADHM CCOc1cccc(F)c1-c1ccc(-c2nnn[n-]2)cc1 ZINC001241252142 821673376 /nfs/dbraw/zinc/67/33/76/821673376.db2.gz XGRPWYDMFRUIKC-UHFFFAOYSA-N -1 3 284.294 3.072 20 0 CGADHM CCOc1cccc(F)c1-c1ccc(-c2nn[n-]n2)cc1 ZINC001241252142 821673382 /nfs/dbraw/zinc/67/33/82/821673382.db2.gz XGRPWYDMFRUIKC-UHFFFAOYSA-N -1 3 284.294 3.072 20 0 CGADHM COc1ccc2nc(-c3cc([O-])cc(F)c3)cnc2c1 ZINC001241255960 821676053 /nfs/dbraw/zinc/67/60/53/821676053.db2.gz IDXGLEKYRRZLMP-UHFFFAOYSA-N -1 3 270.263 3.150 20 0 CGADHM CCCCN(C)c1cncc(-c2cc([O-])cc(F)c2)n1 ZINC001241261400 821681493 /nfs/dbraw/zinc/68/14/93/821681493.db2.gz NJMVMJFXCNVTPL-UHFFFAOYSA-N -1 3 275.327 3.225 20 0 CGADHM CSc1cc(-c2cc([O-])cc(F)c2)nc(SC)n1 ZINC001241262034 821681704 /nfs/dbraw/zinc/68/17/04/821681704.db2.gz VIMPSGBAJXAORS-UHFFFAOYSA-N -1 3 282.365 3.432 20 0 CGADHM Cc1cc2ncccc2nc1-c1cc([O-])cc(F)c1 ZINC001241262032 821681723 /nfs/dbraw/zinc/68/17/23/821681723.db2.gz VGIXSCGSAQNECB-UHFFFAOYSA-N -1 3 254.264 3.450 20 0 CGADHM CCOc1cccc(-c2ccc(C)c(-c3nnn[n-]3)c2)c1F ZINC001241267819 821686618 /nfs/dbraw/zinc/68/66/18/821686618.db2.gz ZULQIIRDZBBSOM-UHFFFAOYSA-N -1 3 298.321 3.380 20 0 CGADHM CCOc1cccc(-c2ccc(C)c(-c3nn[n-]n3)c2)c1F ZINC001241267819 821686619 /nfs/dbraw/zinc/68/66/19/821686619.db2.gz ZULQIIRDZBBSOM-UHFFFAOYSA-N -1 3 298.321 3.380 20 0 CGADHM CCN(CC)C(=O)c1cncc(-c2cc([O-])cc(F)c2)c1 ZINC001241271240 821689583 /nfs/dbraw/zinc/68/95/83/821689583.db2.gz NVCRGIBGRYNQBI-UHFFFAOYSA-N -1 3 288.322 3.075 20 0 CGADHM [O-]c1cc(F)cc(-c2ccc(-c3nnco3)cc2)c1 ZINC001241271371 821689675 /nfs/dbraw/zinc/68/96/75/821689675.db2.gz DVDHAHBDYHZXCX-UHFFFAOYSA-N -1 3 256.236 3.248 20 0 CGADHM COc1ccc(-c2cc([O-])cc(F)c2)c(OC)c1OC ZINC001241280308 821698279 /nfs/dbraw/zinc/69/82/79/821698279.db2.gz JLISZLBFWGYXHJ-UHFFFAOYSA-N -1 3 278.279 3.224 20 0 CGADHM C=CC(=O)Oc1ccc(-c2cc([O-])cc(F)c2)cc1 ZINC001241282721 821702151 /nfs/dbraw/zinc/70/21/51/821702151.db2.gz ORWRRRJOIYIDFM-UHFFFAOYSA-N -1 3 258.248 3.290 20 0 CGADHM CC(=O)N1CCc2cc(-c3c(F)ccc([O-])c3F)ccc21 ZINC001241292674 821708974 /nfs/dbraw/zinc/70/89/74/821708974.db2.gz HBXAEAKXCZVNKC-UHFFFAOYSA-N -1 3 289.281 3.246 20 0 CGADHM COc1ccc(F)c(-c2c(F)ccc([O-])c2F)c1 ZINC001241291576 821709388 /nfs/dbraw/zinc/70/93/88/821709388.db2.gz QVABRZDRCWJOLI-UHFFFAOYSA-N -1 3 254.207 3.485 20 0 CGADHM COc1c(F)cccc1-c1c(F)ccc([O-])c1F ZINC001241292749 821709963 /nfs/dbraw/zinc/70/99/63/821709963.db2.gz JSPMSYBWSDTKOJ-UHFFFAOYSA-N -1 3 254.207 3.485 20 0 CGADHM [O-]c1ccc(F)c(-c2cnc3[nH]ccc3c2F)c1F ZINC001241292799 821710943 /nfs/dbraw/zinc/71/09/43/821710943.db2.gz IAYNHWBRFZMBGC-UHFFFAOYSA-N -1 3 264.206 3.304 20 0 CGADHM COc1nccc(C)c1-c1c(F)ccc([O-])c1F ZINC001241293311 821711352 /nfs/dbraw/zinc/71/13/52/821711352.db2.gz RMXMFLZNSBZLQB-UHFFFAOYSA-N -1 3 251.232 3.049 20 0 CGADHM COC(=O)c1cc(OC)cc(-c2c(F)ccc([O-])c2F)c1 ZINC001241293741 821712620 /nfs/dbraw/zinc/71/26/20/821712620.db2.gz AHSXTWVNCXCGOU-UHFFFAOYSA-N -1 3 294.253 3.133 20 0 CGADHM CN1CCc2c(F)cc(-c3c(F)ccc([O-])c3F)cc2C1 ZINC001241295490 821713665 /nfs/dbraw/zinc/71/36/65/821713665.db2.gz SOMZSJNAVDELBG-UHFFFAOYSA-N -1 3 293.288 3.464 20 0 CGADHM COc1cc(-c2ccc(-c3nnn[n-]3)cc2)cc2ccoc21 ZINC001241445380 821841128 /nfs/dbraw/zinc/84/11/28/821841128.db2.gz OWROXBNVWRCGPW-UHFFFAOYSA-N -1 3 292.298 3.289 20 0 CGADHM COc1cc(-c2ccc(-c3nn[n-]n3)cc2)cc2ccoc21 ZINC001241445380 821841139 /nfs/dbraw/zinc/84/11/39/821841139.db2.gz OWROXBNVWRCGPW-UHFFFAOYSA-N -1 3 292.298 3.289 20 0 CGADHM Cc1ccc(-c2cccc(Cl)c2)cc1-c1nnn[n-]1 ZINC001242146306 822893444 /nfs/dbraw/zinc/89/34/44/822893444.db2.gz UEBNCGAROGWYLQ-UHFFFAOYSA-N -1 3 270.723 3.496 20 0 CGADHM Cc1ccc(-c2cccc(Cl)c2)cc1-c1nn[n-]n1 ZINC001242146306 822893449 /nfs/dbraw/zinc/89/34/49/822893449.db2.gz UEBNCGAROGWYLQ-UHFFFAOYSA-N -1 3 270.723 3.496 20 0 CGADHM [O-]c1ccc(-c2cnc3c(c2)OCCO3)cc1C(F)(F)F ZINC001242157834 822899198 /nfs/dbraw/zinc/89/91/98/822899198.db2.gz NGWAMGUIBJRWIV-UHFFFAOYSA-N -1 3 297.232 3.244 20 0 CGADHM CC(C)Oc1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1F ZINC001242200377 822908473 /nfs/dbraw/zinc/90/84/73/822908473.db2.gz BWTYSQHJTLXBSV-UHFFFAOYSA-N -1 3 298.321 3.460 20 0 CGADHM CC(C)Oc1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1F ZINC001242200377 822908475 /nfs/dbraw/zinc/90/84/75/822908475.db2.gz BWTYSQHJTLXBSV-UHFFFAOYSA-N -1 3 298.321 3.460 20 0 CGADHM [O-]c1cc(F)ccc1-c1ccc(C2OCCO2)cc1 ZINC001242218139 822914836 /nfs/dbraw/zinc/91/48/36/822914836.db2.gz URIICYKOVYHASG-UHFFFAOYSA-N -1 3 260.264 3.244 20 0 CGADHM CCOC(=O)Cc1ccccc1-c1ccc(F)cc1[O-] ZINC001242218162 822914867 /nfs/dbraw/zinc/91/48/67/822914867.db2.gz VZIPSEHXJXBAIY-UHFFFAOYSA-N -1 3 274.291 3.304 20 0 CGADHM C[S@@](=N)(=O)c1ccc(-c2ccc(F)cc2[O-])cc1 ZINC001242218420 822915143 /nfs/dbraw/zinc/91/51/43/822915143.db2.gz DKTMMWMBGIFBMR-GOSISDBHSA-N -1 3 265.309 3.234 20 0 CGADHM Cc1nc(C(=O)OC(C)C)ccc1-c1ccc(F)cc1[O-] ZINC001242219743 822916535 /nfs/dbraw/zinc/91/65/35/822916535.db2.gz OMZMSDUBJNDISN-UHFFFAOYSA-N -1 3 289.306 3.467 20 0 CGADHM [O-]c1cc(F)ccc1-c1ccc(C2OCCO2)c(F)c1 ZINC001242220618 822916685 /nfs/dbraw/zinc/91/66/85/822916685.db2.gz HTDSWSODUSKWID-UHFFFAOYSA-N -1 3 278.254 3.383 20 0 CGADHM Cc1cccc(-c2ccc(-c3nnn[n-]3)c(F)c2)c1F ZINC001242239330 822922405 /nfs/dbraw/zinc/92/24/05/822922405.db2.gz XWPLUEBMBPKEJV-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM Cc1cccc(-c2ccc(-c3nn[n-]n3)c(F)c2)c1F ZINC001242239330 822922406 /nfs/dbraw/zinc/92/24/06/822922406.db2.gz XWPLUEBMBPKEJV-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM Cc1c(F)c(F)ccc1-c1ccccc1-c1nnn[n-]1 ZINC001242306230 822945801 /nfs/dbraw/zinc/94/58/01/822945801.db2.gz SIQKWTSMCKTBAU-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM Cc1c(F)c(F)ccc1-c1ccccc1-c1nn[n-]n1 ZINC001242306230 822945805 /nfs/dbraw/zinc/94/58/05/822945805.db2.gz SIQKWTSMCKTBAU-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM Cc1c(F)c(F)ccc1-c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001242308037 822946876 /nfs/dbraw/zinc/94/68/76/822946876.db2.gz SMRPSNQVGUJEQH-UHFFFAOYSA-N -1 3 290.248 3.259 20 0 CGADHM Cc1c(F)c(F)ccc1-c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001242308037 822946877 /nfs/dbraw/zinc/94/68/77/822946877.db2.gz SMRPSNQVGUJEQH-UHFFFAOYSA-N -1 3 290.248 3.259 20 0 CGADHM Cn1c(=O)cc(-c2cccc(F)c2[O-])c2ccccc21 ZINC001242353220 822962445 /nfs/dbraw/zinc/96/24/45/822962445.db2.gz KDQCQTBQTDXIIW-UHFFFAOYSA-N -1 3 269.275 3.050 20 0 CGADHM O=C1Nc2cc(-c3cccc(F)c3[O-])ccc2C12CC2 ZINC001242352488 822962630 /nfs/dbraw/zinc/96/26/30/822962630.db2.gz KVAOWEYBIDSYEM-UHFFFAOYSA-N -1 3 269.275 3.182 20 0 CGADHM CCn1nnc2c1ccc(-c1cccc(F)c1[O-])c2C ZINC001242353813 822963247 /nfs/dbraw/zinc/96/32/47/822963247.db2.gz QPXBTIGTUVZXNG-UHFFFAOYSA-N -1 3 271.295 3.271 20 0 CGADHM CC1(C)Cc2cccc(-c3cccc(F)c3[O-])c2C(=O)N1 ZINC001242354159 822963379 /nfs/dbraw/zinc/96/33/79/822963379.db2.gz SAMWIADPTNRQPY-UHFFFAOYSA-N -1 3 285.318 3.263 20 0 CGADHM c1ccc(-c2cccc3ccncc32)c(-c2nnn[n-]2)c1 ZINC001242370256 822971241 /nfs/dbraw/zinc/97/12/41/822971241.db2.gz DDOFDEUXGPHDKK-UHFFFAOYSA-N -1 3 273.299 3.082 20 0 CGADHM c1ccc(-c2cccc3ccncc32)c(-c2nn[n-]n2)c1 ZINC001242370256 822971243 /nfs/dbraw/zinc/97/12/43/822971243.db2.gz DDOFDEUXGPHDKK-UHFFFAOYSA-N -1 3 273.299 3.082 20 0 CGADHM O=C([N-]c1cnoc1)c1cc2sccc2nc1Cl ZINC001352383749 937041956 /nfs/dbraw/zinc/04/19/56/937041956.db2.gz VEOIUWOKNPWRFI-UHFFFAOYSA-N -1 3 279.708 3.190 20 0 CGADHM CSC1(CN(C)Cc2cc(C(=O)[O-])c(C)o2)CCC1 ZINC001353899277 937080679 /nfs/dbraw/zinc/08/06/79/937080679.db2.gz JKAVYENHPPTPFE-UHFFFAOYSA-N -1 3 283.393 3.004 20 0 CGADHM CC(C)c1ccc(CCNC(=O)c2ccccc2[O-])cc1 ZINC001440371592 937328831 /nfs/dbraw/zinc/32/88/31/937328831.db2.gz OJBYOAGHMNPPNS-UHFFFAOYSA-N -1 3 283.371 3.488 20 0 CGADHM CCc1ccc(C(=O)N[C@H]2CCC[C@@H](SC)C2)c([O-])c1 ZINC001444076600 937350106 /nfs/dbraw/zinc/35/01/06/937350106.db2.gz CRZGILXYLZEZTQ-QWHCGFSZSA-N -1 3 293.432 3.359 20 0 CGADHM CC(=O)c1ccc(C(=O)NCC(C)(C)CC(C)C)cc1[O-] ZINC001445344907 937356638 /nfs/dbraw/zinc/35/66/38/937356638.db2.gz QHCSDYFVZYPEBO-UHFFFAOYSA-N -1 3 291.391 3.397 20 0 CGADHM CCc1ccc(C(=O)NC2C(C)(C)C2(C)C)c([O-])c1 ZINC001445396660 937357533 /nfs/dbraw/zinc/35/75/33/937357533.db2.gz ALYSDTQPSNISRH-UHFFFAOYSA-N -1 3 261.365 3.119 20 0 CGADHM COc1ccc(C(=O)NC[C@@H]2CCC[C@H](C)[C@@H]2C)c([O-])c1 ZINC001448660561 937375818 /nfs/dbraw/zinc/37/58/18/937375818.db2.gz IYQBWRRUDBYYGG-AVGNSLFASA-N -1 3 291.391 3.203 20 0 CGADHM O=C(N[C@@H]1C[C@H]1c1ccccc1Cl)c1ccccc1[O-] ZINC001453535201 937403550 /nfs/dbraw/zinc/40/35/50/937403550.db2.gz PHKYQEIPYDHGTA-GXTWGEPZSA-N -1 3 287.746 3.332 20 0 CGADHM COc1ccc(C(=O)NC2(C)CCC(C)(C)CC2)c([O-])c1 ZINC001454730917 937412038 /nfs/dbraw/zinc/41/20/38/937412038.db2.gz SPLQCPOYAHMEGJ-UHFFFAOYSA-N -1 3 291.391 3.490 20 0 CGADHM CCc1ccc2c(c1)CN(C(=O)c1ccc(C)cc1[O-])CC2 ZINC001457367422 937441650 /nfs/dbraw/zinc/44/16/50/937441650.db2.gz CLNAQGVQSSJVDG-UHFFFAOYSA-N -1 3 295.382 3.462 20 0 CGADHM O=C([N-]c1nc(C(F)(F)F)co1)c1nc(Cl)cs1 ZINC001460398398 937530083 /nfs/dbraw/zinc/53/00/83/937530083.db2.gz FVRMSHFFGCPNBG-UHFFFAOYSA-N -1 3 297.645 3.056 20 0 CGADHM Cc1cc(F)c(C(=O)[N-]c2c(F)ccnc2F)cc1F ZINC001460583252 937535083 /nfs/dbraw/zinc/53/50/83/937535083.db2.gz DMNDIWHRSQTSGJ-UHFFFAOYSA-N -1 3 284.212 3.199 20 0 CGADHM C[C@@H]1CCN(Cc2cc(F)c([O-])c(F)c2)[C@H](C)C1 ZINC000133731835 931973340 /nfs/dbraw/zinc/97/33/40/931973340.db2.gz CRSBEUKFCITBST-NXEZZACHSA-N -1 3 255.308 3.291 20 0 CGADHM C[C@H](Oc1ccc2c(c1)CCN(C)C2)C1=CC=C[CH]1 ZINC001228945853 932057004 /nfs/dbraw/zinc/05/70/04/932057004.db2.gz VXKJDUYWZWECTB-ZDUSSCGKSA-N -1 3 254.353 3.142 20 0 CGADHM C[C@H](Oc1ncc(Br)cc1[O-])c1ccncc1 ZINC001228953317 932058603 /nfs/dbraw/zinc/05/86/03/932058603.db2.gz QKHBQKQTEJDRKB-QMMMGPOBSA-N -1 3 295.136 3.085 20 0 CGADHM C[C@H](Oc1ncc(Br)cc1[O-])c1cccnc1 ZINC001228952865 932058991 /nfs/dbraw/zinc/05/89/91/932058991.db2.gz MBPJITUGVPRZEF-QMMMGPOBSA-N -1 3 295.136 3.085 20 0 CGADHM [O-]c1cc(O)cc(OC2CCCC2)c1Br ZINC001229099880 932093237 /nfs/dbraw/zinc/09/32/37/932093237.db2.gz NIOGESCHMBIISB-UHFFFAOYSA-N -1 3 273.126 3.182 20 0 CGADHM O=C([N-]c1cccnc1F)c1cc(-c2ccccc2)no1 ZINC001461163420 937566932 /nfs/dbraw/zinc/56/69/32/937566932.db2.gz MGXPZFSGFUIKLU-UHFFFAOYSA-N -1 3 283.262 3.128 20 0 CGADHM Cc1csc2[n-]c(=S)nc(O[C@@H]3CCO[C@H](C)C3)c12 ZINC001229351597 932137091 /nfs/dbraw/zinc/13/70/91/932137091.db2.gz BXQDEOSZTWIQSS-RKDXNWHRSA-N -1 3 296.417 3.235 20 0 CGADHM CCC(=O)[C@@H](CC)Oc1nc(=S)[n-]c2scc(C)c21 ZINC001229353945 932139070 /nfs/dbraw/zinc/13/90/70/932139070.db2.gz SSHHBQNSDLHDLM-SECBINFHSA-N -1 3 296.417 3.425 20 0 CGADHM Cc1nc(O[C@@H](C)c2cccc(F)c2F)c(C)c(=O)[n-]1 ZINC001229684492 932188984 /nfs/dbraw/zinc/18/89/84/932188984.db2.gz CKSWEFAHJDKZEU-QMMMGPOBSA-N -1 3 280.274 3.217 20 0 CGADHM CCOc1ccc([C@H](C)Oc2nc(C)[n-]c(=O)c2C)cc1 ZINC001229687220 932469759 /nfs/dbraw/zinc/46/97/59/932469759.db2.gz ZTRZIYIBFGKYKE-NSHDSACASA-N -1 3 288.347 3.338 20 0 CGADHM C[C@H]1CCC[C@H](C)C1Oc1ccccc1-c1nnn[n-]1 ZINC001229953741 932507589 /nfs/dbraw/zinc/50/75/89/932507589.db2.gz DFOZMYOXISVBJS-QWRGUYRKSA-N -1 3 272.352 3.070 20 0 CGADHM C[C@H]1CCC[C@H](C)C1Oc1ccccc1-c1nn[n-]n1 ZINC001229953741 932507593 /nfs/dbraw/zinc/50/75/93/932507593.db2.gz DFOZMYOXISVBJS-QWRGUYRKSA-N -1 3 272.352 3.070 20 0 CGADHM CCC1CCC(Oc2ccccc2-c2nnn[n-]2)CC1 ZINC001229954735 932509181 /nfs/dbraw/zinc/50/91/81/932509181.db2.gz OCWXPWGOSOBKHO-UHFFFAOYSA-N -1 3 272.352 3.214 20 0 CGADHM CCC1CCC(Oc2ccccc2-c2nn[n-]n2)CC1 ZINC001229954735 932509187 /nfs/dbraw/zinc/50/91/87/932509187.db2.gz OCWXPWGOSOBKHO-UHFFFAOYSA-N -1 3 272.352 3.214 20 0 CGADHM CCC(CC)[C@@H](CC)Oc1ccccc1-c1nnn[n-]1 ZINC001229954771 932509240 /nfs/dbraw/zinc/50/92/40/932509240.db2.gz OZPQFLKUNGDDJW-CYBMUJFWSA-N -1 3 274.368 3.460 20 0 CGADHM CCC(CC)[C@@H](CC)Oc1ccccc1-c1nn[n-]n1 ZINC001229954771 932509244 /nfs/dbraw/zinc/50/92/44/932509244.db2.gz OZPQFLKUNGDDJW-CYBMUJFWSA-N -1 3 274.368 3.460 20 0 CGADHM C[C@@H](Oc1nc(=O)[n-]cc1-c1ccccc1)C1CCC1 ZINC001230973838 932651874 /nfs/dbraw/zinc/65/18/74/932651874.db2.gz KHMMFLVBXKDZTE-LLVKDONJSA-N -1 3 270.332 3.417 20 0 CGADHM Cc1ccccc1[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001231072885 932671510 /nfs/dbraw/zinc/67/15/10/932671510.db2.gz HNONLWQPSAIJQJ-GFCCVEGCSA-N -1 3 280.331 3.315 20 0 CGADHM Cc1oc(NC(=O)c2ccc(C)c(C)c2[O-])nc1C1CC1 ZINC001304197628 932846451 /nfs/dbraw/zinc/84/64/51/932846451.db2.gz ZQMQRJJPUOEQNF-UHFFFAOYSA-N -1 3 286.331 3.435 20 0 CGADHM Cc1ccc(CN2Cc3nc(C4CC4)[n-]c(=O)c3C2)cc1F ZINC001308049942 933041342 /nfs/dbraw/zinc/04/13/42/933041342.db2.gz FSVCDDAHRHQCCF-UHFFFAOYSA-N -1 3 299.349 3.023 20 0 CGADHM Cc1ccc(CNc2ccc(-n3ccc(=O)[n-]3)cc2)cc1 ZINC001308484780 933118807 /nfs/dbraw/zinc/11/88/07/933118807.db2.gz XVOFBCUBCSLXST-UHFFFAOYSA-N -1 3 279.343 3.498 20 0 CGADHM CC(C)c1ocnc1C(=O)[N-]c1cc(C(C)(C)F)on1 ZINC001463526502 937675846 /nfs/dbraw/zinc/67/58/46/937675846.db2.gz KFLRFGDPDNHNMQ-UHFFFAOYSA-N -1 3 281.287 3.243 20 0 CGADHM CC(=O)c1ccc(C(=O)N2CC[C@H]2c2ccccc2)cc1[O-] ZINC001464173665 937687617 /nfs/dbraw/zinc/68/76/17/937687617.db2.gz MFEDBMVNWFPGJW-INIZCTEOSA-N -1 3 295.338 3.182 20 0 CGADHM CCNc1ccc(C)cc1C(=O)Nc1nc(C)ccc1[O-] ZINC001467593025 937719569 /nfs/dbraw/zinc/71/95/69/937719569.db2.gz SLVGUOKXTJKMHI-UHFFFAOYSA-N -1 3 285.347 3.088 20 0 CGADHM CC[C@](C)(CNC(=O)c1ccc(C(C)C)cc1[O-])OC ZINC001468244650 937725671 /nfs/dbraw/zinc/72/56/71/937725671.db2.gz JNCIPRAKALONLM-MRXNPFEDSA-N -1 3 279.380 3.061 20 0 CGADHM O=C(Nc1[nH][n-]c2cc(=O)ccc1-2)c1ccsc1Cl ZINC001468309385 937726959 /nfs/dbraw/zinc/72/69/59/937726959.db2.gz BTQWJBUNHOXKCX-UHFFFAOYSA-N -1 3 293.735 3.236 20 0 CGADHM CC(C)(C)O[N-]C(=O)CCc1cnc2ccccc2c1 ZINC001322404329 934294162 /nfs/dbraw/zinc/29/41/62/934294162.db2.gz MDBDAWVHYBSRKJ-UHFFFAOYSA-N -1 3 272.348 3.014 20 0 CGADHM CC(C)c1ncc(C(=O)[N-]c2c(F)ccnc2F)s1 ZINC001324730531 934557492 /nfs/dbraw/zinc/55/74/92/934557492.db2.gz OFOHEMCOEHYSHC-UHFFFAOYSA-N -1 3 283.303 3.192 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)CCc1nc2ccccc2s1 ZINC001326353468 934972700 /nfs/dbraw/zinc/97/27/00/934972700.db2.gz KTZOZHBNKHTWJV-LLVKDONJSA-N -1 3 292.404 3.323 20 0 CGADHM CC(C)[C@@H](O)COC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC001327488772 935063240 /nfs/dbraw/zinc/06/32/40/935063240.db2.gz ALHZNPQFCHQOOZ-VIFPVBQESA-N -1 3 287.768 3.057 20 0 CGADHM Cc1cc(OCCCC(=O)[N-]OC(C)C)ccc1Cl ZINC001330659727 935309392 /nfs/dbraw/zinc/30/93/92/935309392.db2.gz OOUODSVEFDZPHH-UHFFFAOYSA-N -1 3 285.771 3.264 20 0 CGADHM O=C([O-])c1cc(CN[C@H](CC2CCC2)c2ccccc2)[nH]n1 ZINC001334806499 936116524 /nfs/dbraw/zinc/11/65/24/936116524.db2.gz QDYFVHSNNQFYCA-OAHLLOKOSA-N -1 3 299.374 3.129 20 0 CGADHM CCCn1cc(C(=O)Nc2cc(Cl)ccc2[O-])c(C)n1 ZINC001335861497 936164841 /nfs/dbraw/zinc/16/48/41/936164841.db2.gz IRUIAJGCICHNIG-UHFFFAOYSA-N -1 3 293.754 3.213 20 0 CGADHM CC(C)N(CCc1ccccc1)C(=O)c1ccc(O)cc1[O-] ZINC001337484046 936262382 /nfs/dbraw/zinc/26/23/82/936262382.db2.gz YZEHPZMJBXBYQT-UHFFFAOYSA-N -1 3 299.370 3.191 20 0 CGADHM CCC1(CC)CCCN1C(=O)NCc1ccc([O-])c(F)c1 ZINC001477991844 937900574 /nfs/dbraw/zinc/90/05/74/937900574.db2.gz ZIHAFQBVRZCFRU-UHFFFAOYSA-N -1 3 294.370 3.396 20 0 CGADHM O=C(c1cc2sccc2c([O-])c1)N1CCC(F)(F)C1 ZINC001546279190 937983288 /nfs/dbraw/zinc/98/32/88/937983288.db2.gz IEGQSYLHMIOCDP-UHFFFAOYSA-N -1 3 283.299 3.088 20 0 CGADHM CCc1cnc([N-]C(=O)c2cc(-c3ccc(C)cc3)no2)o1 ZINC001516646926 938009256 /nfs/dbraw/zinc/00/92/56/938009256.db2.gz MKNXVNRJDFHTRM-UHFFFAOYSA-N -1 3 297.314 3.453 20 0 CGADHM Cc1cc(Br)c(C(=O)[N-]c2cnoc2)s1 ZINC001527916161 938064347 /nfs/dbraw/zinc/06/43/47/938064347.db2.gz SGSZXPRANYEWHC-UHFFFAOYSA-N -1 3 287.138 3.059 20 0 CGADHM CSc1cc(F)ccc1[N-]C(=O)c1nccs1 ZINC001537378020 938109858 /nfs/dbraw/zinc/10/98/58/938109858.db2.gz IDFWSDZWVPLEHA-UHFFFAOYSA-N -1 3 268.338 3.256 20 0 CGADHM COc1ccc([C@H](C)[N-]C(=O)C(F)(F)C(F)F)cc1C ZINC001537691594 938112561 /nfs/dbraw/zinc/11/25/61/938112561.db2.gz UJAOYQFAZVJPMW-QMMMGPOBSA-N -1 3 293.260 3.081 20 0 CGADHM C[C@@H]1Cc2ccccc2N1C(=O)Cc1ccc([O-])c(F)c1 ZINC001540565323 938131971 /nfs/dbraw/zinc/13/19/71/938131971.db2.gz XUYRRMAATPQPIL-LLVKDONJSA-N -1 3 285.318 3.052 20 0 CGADHM CC(C)(NC(=O)Cc1ccc([O-])c(F)c1)c1ccccc1 ZINC001542474888 938135993 /nfs/dbraw/zinc/13/59/93/938135993.db2.gz GTDXVXCSTBEXJY-UHFFFAOYSA-N -1 3 287.334 3.125 20 0 CGADHM O=c1nc(Cl)cc(Sc2ccc(F)cc2)[n-]1 ZINC001559050853 938219493 /nfs/dbraw/zinc/21/94/93/938219493.db2.gz ZIAQUFQIKIDABX-UHFFFAOYSA-N -1 3 256.689 3.126 20 0 CGADHM O=C(c1ccccc1[O-])N1CC[C@@H]1C1CCCCC1 ZINC001551767845 938186254 /nfs/dbraw/zinc/18/62/54/938186254.db2.gz OKHDUKSTMRRUNY-CQSZACIVSA-N -1 3 259.349 3.187 20 0 CGADHM CSc1ccc([O-])c(C(=O)NC[C@H]2CCC[C@H]2C)c1 ZINC001556342940 938203250 /nfs/dbraw/zinc/20/32/50/938203250.db2.gz FSBSFVBOZJVYQL-GHMZBOCLSA-N -1 3 279.405 3.280 20 0 CGADHM O=C(NC1(c2ccccc2F)CCC1)c1ccccc1[O-] ZINC001557183255 938208426 /nfs/dbraw/zinc/20/84/26/938208426.db2.gz NCJAJUCRMFVQIZ-UHFFFAOYSA-N -1 3 285.318 3.341 20 0 CGADHM Cc1ccc(C(=O)N[C@@H]2CCCc3ccccc3C2)c([O-])c1 ZINC001558647958 938216865 /nfs/dbraw/zinc/21/68/65/938216865.db2.gz BQUKUNWGLWGDMD-MRXNPFEDSA-N -1 3 295.382 3.378 20 0 CGADHM Cc1cccc(C)c1CN1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001560115463 938244329 /nfs/dbraw/zinc/24/43/29/938244329.db2.gz AQDHWWNOJXXECJ-UHFFFAOYSA-N -1 3 295.386 3.192 20 0 CGADHM Cc1cc(CN[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)c(C)o1 ZINC001594304358 957951910 /nfs/dbraw/zinc/95/19/10/957951910.db2.gz IKJGHEMUHXTRKA-HZPDHXFCSA-N -1 3 285.343 3.299 20 0 CGADHM Cc1ccc(F)cc1CN[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001594365026 958484649 /nfs/dbraw/zinc/48/46/49/958484649.db2.gz IMVRUNNIKHLTNW-OAHLLOKOSA-N -1 3 291.297 3.189 20 0 CGADHM COc1ccsc1[C@H](C)NCc1cccc(C(=O)[O-])c1 ZINC001594152669 958804001 /nfs/dbraw/zinc/80/40/01/958804001.db2.gz CWUYDFLFYKCWFE-JTQLQIEISA-N -1 3 291.372 3.306 20 0 CGADHM C[C@@H](c1cc(F)ccc1F)N1CCC[C@](C)(C(=O)[O-])C1 ZINC000227829213 959970429 /nfs/dbraw/zinc/97/04/29/959970429.db2.gz MJMSKEGUGVSFCO-BONVTDFDSA-N -1 3 283.318 3.213 20 0 CGADHM O=C(NOC1CCCC1)c1cc2sccc2c([O-])c1 ZINC001566867403 961035677 /nfs/dbraw/zinc/03/56/77/961035677.db2.gz PIRREHQLMXVADQ-UHFFFAOYSA-N -1 3 277.345 3.211 20 0 CGADHM O=C(CCC1CCCCCC1)Nc1ncccc1[O-] ZINC001567485276 961353671 /nfs/dbraw/zinc/35/36/71/961353671.db2.gz CGMKHRPKSYIPPA-UHFFFAOYSA-N -1 3 262.353 3.476 20 0 CGADHM COc1ccc(NC(=O)c2ccc(C(C)=O)c(C)c2)c([O-])c1 ZINC001567679892 961387545 /nfs/dbraw/zinc/38/75/45/961387545.db2.gz SCFDNFKLXXOEHL-UHFFFAOYSA-N -1 3 299.326 3.164 20 0 CGADHM O=C([O-])C1(CCN[C@@H](C(F)F)C2CCCCC2)CCC1 ZINC001574638021 962320959 /nfs/dbraw/zinc/32/09/59/962320959.db2.gz DLCDZPHOBDOJHR-GFCCVEGCSA-N -1 3 289.366 3.435 20 0 CGADHM C[C@H]1C[C@H](Sc2cc(-c3nnn[n-]3)ccn2)C[C@@H](C)C1 ZINC001575970273 962431746 /nfs/dbraw/zinc/43/17/46/962431746.db2.gz OUOVINHXOCXKEX-IAZYJMLFSA-N -1 3 289.408 3.179 20 0 CGADHM C[C@H]1C[C@H](Sc2cc(-c3nn[n-]n3)ccn2)C[C@@H](C)C1 ZINC001575970273 962431751 /nfs/dbraw/zinc/43/17/51/962431751.db2.gz OUOVINHXOCXKEX-IAZYJMLFSA-N -1 3 289.408 3.179 20 0 CGADHM CCC(CC)(CC)SCc1cc(-c2nnn[n-]2)ccn1 ZINC001576717672 962490676 /nfs/dbraw/zinc/49/06/76/962490676.db2.gz CEDADOIQXGTDQG-UHFFFAOYSA-N -1 3 291.424 3.464 20 0 CGADHM CCC(CC)(CC)SCc1cc(-c2nn[n-]n2)ccn1 ZINC001576717672 962490694 /nfs/dbraw/zinc/49/06/94/962490694.db2.gz CEDADOIQXGTDQG-UHFFFAOYSA-N -1 3 291.424 3.464 20 0 CGADHM CCc1ccc(NCc2csc(-c3nnn[n-]3)c2)cc1C ZINC001578526566 962595607 /nfs/dbraw/zinc/59/56/07/962595607.db2.gz XMSKJUXBPYVFOB-UHFFFAOYSA-N -1 3 299.403 3.411 20 0 CGADHM O=C(Nc1c([O-])cccc1Cl)c1ccc2c(c1)NCC2 ZINC001580757042 962732313 /nfs/dbraw/zinc/73/23/13/962732313.db2.gz AKCHTAMDJULJBV-UHFFFAOYSA-N -1 3 288.734 3.266 20 0 CGADHM Cc1ccc(Sc2cc(C)c(-c3nnn[n-]3)cn2)s1 ZINC001581214060 962747525 /nfs/dbraw/zinc/74/75/25/962747525.db2.gz YEVXZMLTNLTQOB-UHFFFAOYSA-N -1 3 289.389 3.091 20 0 CGADHM Cc1ccc(Sc2cc(C)c(-c3nn[n-]n3)cn2)s1 ZINC001581214060 962747559 /nfs/dbraw/zinc/74/75/59/962747559.db2.gz YEVXZMLTNLTQOB-UHFFFAOYSA-N -1 3 289.389 3.091 20 0 CGADHM Fc1ccc(Oc2cc(F)ccc2-c2nnn[n-]2)c(F)c1 ZINC001581854228 962749031 /nfs/dbraw/zinc/74/90/31/962749031.db2.gz OOANINLTDGSHQK-UHFFFAOYSA-N -1 3 292.220 3.076 20 0 CGADHM Fc1ccc(Oc2cc(F)ccc2-c2nn[n-]n2)c(F)c1 ZINC001581854228 962749039 /nfs/dbraw/zinc/74/90/39/962749039.db2.gz OOANINLTDGSHQK-UHFFFAOYSA-N -1 3 292.220 3.076 20 0 CGADHM O=C([O-])[C@@H](NCc1cc(Cl)sc1Cl)C1CC1 ZINC000308351372 963268301 /nfs/dbraw/zinc/26/83/01/963268301.db2.gz QRXQHDXJBQRJRL-QMMMGPOBSA-N -1 3 280.176 3.008 20 0 CGADHM C[C@]1(C(=O)[O-])CCCN(Cc2ccsc2Cl)C1 ZINC000308358490 963269895 /nfs/dbraw/zinc/26/98/95/963269895.db2.gz QTQARLZSWDCSTF-LBPRGKRZSA-N -1 3 273.785 3.088 20 0 CGADHM CC(C)(CCN[C@H](c1ccccc1)c1ccccn1)C(=O)[O-] ZINC001588777943 963317209 /nfs/dbraw/zinc/31/72/09/963317209.db2.gz VGGKLNRXBCHKBK-MRXNPFEDSA-N -1 3 298.386 3.262 20 0 CGADHM CC(C)C[C@@H](C)CNc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001589549819 964003513 /nfs/dbraw/zinc/00/35/13/964003513.db2.gz IPWFXDHNANSCAE-SNVBAGLBSA-N -1 3 277.347 3.100 20 0 CGADHM CC(C)C[C@@H](C)CNc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001589549819 964003517 /nfs/dbraw/zinc/00/35/17/964003517.db2.gz IPWFXDHNANSCAE-SNVBAGLBSA-N -1 3 277.347 3.100 20 0 CGADHM CC(C)CN(CC1CC(C)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC001589619397 964009077 /nfs/dbraw/zinc/00/90/77/964009077.db2.gz IKKOJRPSUOUCQN-UHFFFAOYSA-N -1 3 299.422 3.375 20 0 CGADHM CC(C)SCCNCc1cc(C(=O)[O-])ccc1Cl ZINC001591828185 976083503 /nfs/dbraw/zinc/08/35/03/976083503.db2.gz GDVOQZWGPSCVSJ-UHFFFAOYSA-N -1 3 287.812 3.269 20 0 CGADHM CC(C)c1[nH]c(CN2CCCC(C)(C)C2)cc1C(=O)[O-] ZINC001591912257 976339169 /nfs/dbraw/zinc/33/91/69/976339169.db2.gz HZXYHFIQFXVPPY-UHFFFAOYSA-N -1 3 278.396 3.458 20 0 CGADHM CC[C@H](C)[C@H](CN[C@H](C(=O)[O-])c1ccccc1Cl)OC ZINC001594883506 982253419 /nfs/dbraw/zinc/25/34/19/982253419.db2.gz RLELIZXPSGQMJU-BPNCWPANSA-N -1 3 299.798 3.116 20 0 CGADHM Cc1[nH]c(CN2CCC(C3CCC3)CC2)cc1C(=O)[O-] ZINC001599961775 985795688 /nfs/dbraw/zinc/79/56/88/985795688.db2.gz IKVYSMJUEISNFK-UHFFFAOYSA-N -1 3 276.380 3.033 20 0 CGADHM CCc1ccc(C2=CCN(C/C=C(\C)C(=O)[O-])CC2)cc1 ZINC001597516289 988127459 /nfs/dbraw/zinc/12/74/59/988127459.db2.gz CJMVZBSKJXTDHM-RIYZIHGNSA-N -1 3 285.387 3.369 20 0 CGADHM CCc1nc([C@H](C)NC[C@@H]2CCCC[C@H]2C(=O)[O-])cs1 ZINC001597656629 988711941 /nfs/dbraw/zinc/71/19/41/988711941.db2.gz VLQVJXYVGLOIPN-SDDRHHMPSA-N -1 3 296.436 3.247 20 0 CGADHM CC(C)[C@@H]1CCCCCN1Cc1ncc(C(=O)[O-])s1 ZINC001591088335 991620701 /nfs/dbraw/zinc/62/07/01/991620701.db2.gz GFDRHQMUSGEVER-NSHDSACASA-N -1 3 282.409 3.242 20 0 CGADHM CC(C)[C@H]1N(Cc2csc(C(=O)[O-])c2)CC12CCC2 ZINC001591100085 991719055 /nfs/dbraw/zinc/71/90/55/991719055.db2.gz RKYHAMMFOIQJBM-CYBMUJFWSA-N -1 3 279.405 3.457 20 0 CGADHM CC(C)CCc1nc(CN[C@H]2CCC[C@H]2C(=O)[O-])cs1 ZINC001591270341 992188809 /nfs/dbraw/zinc/18/88/09/992188809.db2.gz OSPZRHBYHYJRLS-OLZOCXBDSA-N -1 3 296.436 3.075 20 0 CGADHM COc1cccc(C(=O)[O-])c1CN1CCCC(F)(F)CC1 ZINC001599643772 994395865 /nfs/dbraw/zinc/39/58/65/994395865.db2.gz BAFZMAFVRLOYHJ-UHFFFAOYSA-N -1 3 299.317 3.015 20 0 CGADHM CO[C@@]1(C)CCCN(Cc2c(Cl)cccc2C(=O)[O-])C1 ZINC001599087904 997133764 /nfs/dbraw/zinc/13/37/64/997133764.db2.gz ONWPLIMHWFFNLP-HNNXBMFYSA-N -1 3 297.782 3.039 20 0 CGADHM CO[C@H]1CCCC[C@@H]1NCc1cccc(C(=O)[O-])c1Cl ZINC001599325525 997656877 /nfs/dbraw/zinc/65/68/77/997656877.db2.gz IOUXCEHJKGJPHU-STQMWFEESA-N -1 3 297.782 3.085 20 0 CGADHM C[C@H]1CCCC[C@@H]1OCC(=O)Nc1ccc([O-])cc1F ZINC000124401788 187135921 /nfs/dbraw/zinc/13/59/21/187135921.db2.gz OOAMIUJERRJDMH-HZMBPMFUSA-N -1 3 281.327 3.065 20 0 CGADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1CC[C@H]2CCC[C@@H]21 ZINC000621962506 349614301 /nfs/dbraw/zinc/61/43/01/349614301.db2.gz PYWIEMQLFKYSPC-RNCFNFMXSA-N -1 3 299.292 3.426 20 0 CGADHM O=C(N[C@@H]1CC12CCCC2)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621973774 349615494 /nfs/dbraw/zinc/61/54/94/349615494.db2.gz XTOMIPQXWJCLRR-GFCCVEGCSA-N -1 3 299.292 3.474 20 0 CGADHM [O-]c1cccc(CNC2(C3CCC3)CC2)c1Cl ZINC000651958574 398312672 /nfs/dbraw/zinc/31/26/72/398312672.db2.gz GTTNININWYHJEA-UHFFFAOYSA-N -1 3 251.757 3.468 20 0 CGADHM CCc1cc(=O)[n-]c(CSCc2cccc(Cl)n2)n1 ZINC000125642227 187194176 /nfs/dbraw/zinc/19/41/76/187194176.db2.gz GIPWNUJONKBQAM-UHFFFAOYSA-N -1 3 295.795 3.226 20 0 CGADHM CC[C@H](NC(=O)Cc1ccc([O-])c(F)c1)C(C)(C)C ZINC000448918296 529482101 /nfs/dbraw/zinc/48/21/01/529482101.db2.gz QUMBVXQWWDFNPO-ZDUSSCGKSA-N -1 3 267.344 3.015 20 0 CGADHM CCc1ccc(C(=O)N2Cc3cccc(F)c3C2)c([O-])c1 ZINC000622693844 349694965 /nfs/dbraw/zinc/69/49/65/349694965.db2.gz YGFXHNSJBUDKMP-UHFFFAOYSA-N -1 3 285.318 3.250 20 0 CGADHM CCc1ccc(C(=O)NCc2cccc3cc[nH]c32)c([O-])c1 ZINC000436841101 529605798 /nfs/dbraw/zinc/60/57/98/529605798.db2.gz RMJNUIOSGODSQO-UHFFFAOYSA-N -1 3 294.354 3.366 20 0 CGADHM CCc1ccc(C(=O)Nc2ccc3c(c2)ncn3C)c([O-])c1 ZINC000436833834 529610287 /nfs/dbraw/zinc/61/02/87/529610287.db2.gz MZRRLSIJILIPRJ-UHFFFAOYSA-N -1 3 295.342 3.094 20 0 CGADHM CCc1ccc(C(=O)Nc2cccc(C(C)=O)c2)c([O-])c1 ZINC000436803268 529611006 /nfs/dbraw/zinc/61/10/06/529611006.db2.gz NKUBYKMJIBTMIP-UHFFFAOYSA-N -1 3 283.327 3.410 20 0 CGADHM CC[C@H](C)CN(CC)C(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000412177185 529657037 /nfs/dbraw/zinc/65/70/37/529657037.db2.gz ZNCFUNKPKOJKPI-NSHDSACASA-N -1 3 277.364 3.103 20 0 CGADHM CCc1ccc(CNC[C@@H](CC(=O)[O-])c2ccccc2)o1 ZINC000426628070 529652735 /nfs/dbraw/zinc/65/27/35/529652735.db2.gz KDHBNWQAXRLBKF-CQSZACIVSA-N -1 3 287.359 3.190 20 0 CGADHM CC[C@H](C)C[C@H](C)[N-]S(=O)(=O)c1ccc(C)cc1F ZINC000404858617 529683263 /nfs/dbraw/zinc/68/32/63/529683263.db2.gz BMEPUYUITRMRNJ-JQWIXIFHSA-N -1 3 287.400 3.237 20 0 CGADHM CCc1ccc([C@@H](NCc2ccccc2C)C(=O)[O-])cc1 ZINC000426803790 529712226 /nfs/dbraw/zinc/71/22/26/529712226.db2.gz PGABVRYQPXGLCZ-QGZVFWFLSA-N -1 3 283.371 3.473 20 0 CGADHM C[C@@H]1CC[C@@H](CCC(=O)N2CCCc3cccc([O-])c32)O1 ZINC000155576531 136395605 /nfs/dbraw/zinc/39/56/05/136395605.db2.gz WGRQFDBLYOJXOY-OCCSQVGLSA-N -1 3 289.375 3.019 20 0 CGADHM CN(C)c1noc(-c2cc(Cc3ccccc3)ccc2[O-])n1 ZINC000436894966 529817155 /nfs/dbraw/zinc/81/71/55/529817155.db2.gz HGBZXTUBUJLCQV-UHFFFAOYSA-N -1 3 295.342 3.099 20 0 CGADHM Cc1ccc2c(c1)[C@H](NC(=O)c1ccccc1[O-])CC2 ZINC000592661982 347004448 /nfs/dbraw/zinc/00/44/48/347004448.db2.gz DVQAEDYKOVPJTM-OAHLLOKOSA-N -1 3 267.328 3.118 20 0 CGADHM Cc1ccc(OCCN(C)C(=O)c2ccc(C)cc2[O-])cc1 ZINC000024184537 344899520 /nfs/dbraw/zinc/89/95/20/344899520.db2.gz UAGHLDUBCDUHTI-UHFFFAOYSA-N -1 3 299.370 3.160 20 0 CGADHM Cc1ccc(NC(=O)c2ccc(OC(C)C)nc2)c([O-])c1 ZINC000043005545 344993285 /nfs/dbraw/zinc/99/32/85/344993285.db2.gz TZYQAFIDZHVNAS-UHFFFAOYSA-N -1 3 286.331 3.135 20 0 CGADHM CC[C@H]1CN(Cc2cccc([O-])c2Cl)CCS1 ZINC000351625460 219151418 /nfs/dbraw/zinc/15/14/18/219151418.db2.gz ZCVZBHUUVLCIGT-NSHDSACASA-N -1 3 271.813 3.373 20 0 CGADHM O=C(CCCCC(=O)c1ccccc1)Nc1ncccc1[O-] ZINC000048268727 345064318 /nfs/dbraw/zinc/06/43/18/345064318.db2.gz SMUSRWDEUDMQIR-UHFFFAOYSA-N -1 3 298.342 3.169 20 0 CGADHM Cc1ccc(CCCCC(=O)Nc2ncccc2[O-])cc1 ZINC000063809059 345254019 /nfs/dbraw/zinc/25/40/19/345254019.db2.gz FNZFVOPXJAEKPV-UHFFFAOYSA-N -1 3 284.359 3.447 20 0 CGADHM CC1CCC(N(C(=O)c2ccc3n[n-]nc3c2)C2CC2)CC1 ZINC000065903694 345281327 /nfs/dbraw/zinc/28/13/27/345281327.db2.gz CBOCUNUSOXQXES-UHFFFAOYSA-N -1 3 298.390 3.141 20 0 CGADHM CC1(C)CCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)C1 ZINC000072827291 345418088 /nfs/dbraw/zinc/41/80/88/345418088.db2.gz PKIWHYCTYDKGBU-UHFFFAOYSA-N -1 3 297.358 3.314 20 0 CGADHM CC(C)c1ccc(C(=O)N2C[C@@H]3[C@H](C2)C3(C)C)c([O-])c1 ZINC000076482802 345543813 /nfs/dbraw/zinc/54/38/13/345543813.db2.gz SANPTPLVYBYRHO-OKILXGFUSA-N -1 3 273.376 3.244 20 0 CGADHM CC[C@H](C)C[C@H](C)NC(=O)c1c[n-]c2ccccc2c1=O ZINC000080686987 345683584 /nfs/dbraw/zinc/68/35/84/345683584.db2.gz FTUIJRQWODMDEZ-RYUDHWBXSA-N -1 3 286.375 3.083 20 0 CGADHM Cc1ccc(-c2n[nH]cc2C=Cc2nc(C)cc(=O)[n-]2)cc1 ZINC000339116603 214963864 /nfs/dbraw/zinc/96/38/64/214963864.db2.gz SBISFKIHQALTOS-FPLPWBNLSA-N -1 3 292.342 3.360 20 0 CGADHM CN(Cc1ccccc1Cl)CC1(CC(=O)[O-])CC1 ZINC000088256118 345758368 /nfs/dbraw/zinc/75/83/68/345758368.db2.gz AJFXLBRITBFGFO-UHFFFAOYSA-N -1 3 267.756 3.027 20 0 CGADHM Cc1ccc(C(=O)N2CCc3ccc(F)cc3C2)c([O-])c1C ZINC000162327984 232254387 /nfs/dbraw/zinc/25/43/87/232254387.db2.gz PDVPGCRUSXTSEF-UHFFFAOYSA-N -1 3 299.345 3.347 20 0 CGADHM CCc1cccc(C(=O)N(C)[C@H](C)c2cccc(O)c2)c1[O-] ZINC000092602194 345846854 /nfs/dbraw/zinc/84/68/54/345846854.db2.gz DOYBVQRSOYBBEQ-GFCCVEGCSA-N -1 3 299.370 3.493 20 0 CGADHM C[C@H]1[C@H](C(=O)[O-])CCN1Cc1cccc(C(F)(F)F)c1 ZINC000092939112 345863595 /nfs/dbraw/zinc/86/35/95/345863595.db2.gz ISOYBRIWXCUGPS-JOYOIKCWSA-N -1 3 287.281 3.000 20 0 CGADHM C[C@@H]1[C@H](C(=O)[O-])CCN1Cc1cccc(C(F)(F)F)c1 ZINC000092939111 345863610 /nfs/dbraw/zinc/86/36/10/345863610.db2.gz ISOYBRIWXCUGPS-BXKDBHETSA-N -1 3 287.281 3.000 20 0 CGADHM Cc1ccc(C(=O)N(Cc2cccnc2)C(C)C)c([O-])c1 ZINC000094020611 345895029 /nfs/dbraw/zinc/89/50/29/345895029.db2.gz BVDGLDBANYHAFA-UHFFFAOYSA-N -1 3 284.359 3.146 20 0 CGADHM CCO[C@@H]1C[C@@H](N(C)Cc2c(F)ccc([O-])c2F)C1(C)C ZINC000351643873 219161391 /nfs/dbraw/zinc/16/13/91/219161391.db2.gz JQMADLXYDVBLSL-ZIAGYGMSSA-N -1 3 299.361 3.306 20 0 CGADHM O=C(CCOc1ccccc1F)Nc1cccc([O-])c1F ZINC000128325816 346039663 /nfs/dbraw/zinc/03/96/63/346039663.db2.gz RIDQLXGGTXHFBY-UHFFFAOYSA-N -1 3 293.269 3.078 20 0 CGADHM Cc1conc1[N-]C(=O)c1cc(F)c(F)cc1Cl ZINC000154598260 346149786 /nfs/dbraw/zinc/14/97/86/346149786.db2.gz ZEZAAWFVRHCQOC-UHFFFAOYSA-N -1 3 272.638 3.167 20 0 CGADHM C[C@H](NC(=O)NCc1ccc([O-])c(F)c1)c1ccccc1 ZINC000154975035 346152229 /nfs/dbraw/zinc/15/22/29/346152229.db2.gz KYTGOQULVZQVTD-NSHDSACASA-N -1 3 288.322 3.092 20 0 CGADHM CC[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccc([O-])c(F)c1 ZINC000156882058 346159865 /nfs/dbraw/zinc/15/98/65/346159865.db2.gz YGPJXTCCJJGVOA-OCCSQVGLSA-N -1 3 294.370 3.299 20 0 CGADHM Cc1[nH]c2c(cccc2C(=O)Nc2ncccc2[O-])c1C ZINC000180992906 346254949 /nfs/dbraw/zinc/25/49/49/346254949.db2.gz WMBBMJUFFNRHCP-UHFFFAOYSA-N -1 3 281.315 3.138 20 0 CGADHM C[C@H]1CCN(Cc2cc(Cl)ccc2F)[C@@H](C(=O)[O-])C1 ZINC000231110775 346322688 /nfs/dbraw/zinc/32/26/88/346322688.db2.gz RNPAMYZOWFZQTI-TVQRCGJNSA-N -1 3 285.746 3.164 20 0 CGADHM Cc1ccc(CN2CCC[C@H](CC(=O)[O-])C2)cc1Cl ZINC000235878225 346337622 /nfs/dbraw/zinc/33/76/22/346337622.db2.gz WKVMISYKRFCRKD-GFCCVEGCSA-N -1 3 281.783 3.335 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N2C[C@@H](c3ccccc3)C[C@H]2C)n1 ZINC000248736374 346378194 /nfs/dbraw/zinc/37/81/94/346378194.db2.gz KZVJOWGEQRBSBZ-YCPHGPKFSA-N -1 3 297.402 3.430 20 0 CGADHM CSCC1(CC(=O)Nc2cccc([O-])c2F)CC1 ZINC000593562147 347091808 /nfs/dbraw/zinc/09/18/08/347091808.db2.gz HTQTUGXOKXKKEH-UHFFFAOYSA-N -1 3 269.341 3.003 20 0 CGADHM CCCOc1ccc(CN[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000315478726 346483344 /nfs/dbraw/zinc/48/33/44/346483344.db2.gz SEEYBNSWXPFSTP-QGZVFWFLSA-N -1 3 299.370 3.391 20 0 CGADHM Cc1ccc([O-])c(-c2nc(C3CCSCC3)no2)c1 ZINC000402341226 346595118 /nfs/dbraw/zinc/59/51/18/346595118.db2.gz WFWGRJWGCXFQPL-UHFFFAOYSA-N -1 3 276.361 3.361 20 0 CGADHM CCC[C@@H](C(=O)Nc1ccccc1[O-])c1ccccn1 ZINC000339264488 215051682 /nfs/dbraw/zinc/05/16/82/215051682.db2.gz OEVRNKNQVYBBKU-GFCCVEGCSA-N -1 3 270.332 3.310 20 0 CGADHM CCOC(=O)CCN(Cc1cccc([O-])c1Cl)C(C)C ZINC000594611123 347202821 /nfs/dbraw/zinc/20/28/21/347202821.db2.gz MMEWJSSQSUEZRF-UHFFFAOYSA-N -1 3 299.798 3.209 20 0 CGADHM CC(C)Oc1ccccc1CN(C[C@@H](C)C(=O)[O-])C1CC1 ZINC000517160400 535059845 /nfs/dbraw/zinc/05/98/45/535059845.db2.gz FCBSHLWLGLZRML-CYBMUJFWSA-N -1 3 291.391 3.159 20 0 CGADHM COc1ccc(C)nc1NCc1cccc([O-])c1Cl ZINC000339308342 215085272 /nfs/dbraw/zinc/08/52/72/215085272.db2.gz YUEBWRDIFXQKIJ-UHFFFAOYSA-N -1 3 278.739 3.370 20 0 CGADHM Cc1ncsc1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000355956955 232706696 /nfs/dbraw/zinc/70/66/96/232706696.db2.gz NSLDOSSHOYVHOW-UHFFFAOYSA-N -1 3 294.351 3.258 20 0 CGADHM CSCC[C@H](C)N(C)C(=O)c1cc(SC)ccc1[O-] ZINC000597270904 347565024 /nfs/dbraw/zinc/56/50/24/347565024.db2.gz JTYLYLBIBNMNJS-JTQLQIEISA-N -1 3 299.461 3.328 20 0 CGADHM C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=O)c1cccc([O-])c1 ZINC000357311023 232928402 /nfs/dbraw/zinc/92/84/02/232928402.db2.gz UYASRBYRFUPLLF-GDBMZVCRSA-N -1 3 295.382 3.486 20 0 CGADHM COc1ccc(NC(=O)[C@]2(C)CC=C(C)CC2)c([O-])c1 ZINC000613833207 348634352 /nfs/dbraw/zinc/63/43/52/348634352.db2.gz XJMUFPIBOHTPIP-MRXNPFEDSA-N -1 3 275.348 3.476 20 0 CGADHM O=C(Nc1c([O-])cccc1Cl)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000615322161 348731904 /nfs/dbraw/zinc/73/19/04/348731904.db2.gz NRNZQABVICJCJP-BBBLOLIVSA-N -1 3 265.740 3.420 20 0 CGADHM CC(C)(C)c1ccc(NC(=O)c2ncccc2F)c([O-])c1 ZINC000614487600 348680299 /nfs/dbraw/zinc/68/02/99/348680299.db2.gz DEKPHRUSVWAMMK-UHFFFAOYSA-N -1 3 288.322 3.476 20 0 CGADHM Cc1ccc([O-])c(C(=O)NCc2ccc([C@@H]3C[C@@H]3C)o2)c1 ZINC000614754078 348692737 /nfs/dbraw/zinc/69/27/37/348692737.db2.gz MFXNBSUKKLQTRW-WCQYABFASA-N -1 3 285.343 3.347 20 0 CGADHM CC1(C)CCC[C@@H]1C(=O)NCc1ccc([O-])c2ncccc12 ZINC000616022592 348782237 /nfs/dbraw/zinc/78/22/37/348782237.db2.gz HUUZEWMWDANPHT-CQSZACIVSA-N -1 3 298.386 3.383 20 0 CGADHM CC[C@@H](C)[C@H](C)C(=O)NCc1ccc([O-])c2ncccc12 ZINC000616022107 348782513 /nfs/dbraw/zinc/78/25/13/348782513.db2.gz CLGNTQKTMTYMFK-NEPJUHHUSA-N -1 3 286.375 3.239 20 0 CGADHM C[C@@H]1CC[C@@H](CC(=O)NCc2ccc([O-])c3ncccc23)C1 ZINC000616024973 348782625 /nfs/dbraw/zinc/78/26/25/348782625.db2.gz IURZXBPJYBLWDU-CHWSQXEVSA-N -1 3 298.386 3.383 20 0 CGADHM [O-]c1cc(F)cc(CN2CC[C@@H]2c2ccccc2)c1 ZINC000351994141 219282449 /nfs/dbraw/zinc/28/24/49/219282449.db2.gz DPQGCAGMUQEZPY-MRXNPFEDSA-N -1 3 257.308 3.478 20 0 CGADHM CCCCO[C@H](C)C(=O)Nc1ccc([O-])cc1Cl ZINC000616942011 348885627 /nfs/dbraw/zinc/88/56/27/348885627.db2.gz NICVFJJUIJVQFC-SECBINFHSA-N -1 3 271.744 3.189 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-]CC[C@@H](C)c2ccccc2)o1 ZINC000358424343 233130189 /nfs/dbraw/zinc/13/01/89/233130189.db2.gz FXJAEXOIIKOXHN-GFCCVEGCSA-N -1 3 293.388 3.060 20 0 CGADHM CC[C@H](C)CCNC(=O)c1cc([O-])ccc1Cl ZINC000617639411 348993432 /nfs/dbraw/zinc/99/34/32/348993432.db2.gz FLSRVIBKOANKFC-VIFPVBQESA-N -1 3 255.745 3.212 20 0 CGADHM Cc1ccc(C(=O)N2CCC[C@@H](CCF)C2)c([O-])c1C ZINC000618699036 349147579 /nfs/dbraw/zinc/14/75/79/349147579.db2.gz ULVVHCUPFAXROI-ZDUSSCGKSA-N -1 3 279.355 3.221 20 0 CGADHM C[C@]1(CNC(=O)c2ccc3c(c2[O-])CCCC3)CC1(F)F ZINC000618598887 349117402 /nfs/dbraw/zinc/11/74/02/349117402.db2.gz OPVPUTXCPJCRQD-OAHLLOKOSA-N -1 3 295.329 3.046 20 0 CGADHM O=c1cc(C=Cc2ccccc2)nc(-c2ccncc2)[n-]1 ZINC000352022099 219293364 /nfs/dbraw/zinc/29/33/64/219293364.db2.gz VEIGKBLFFAPDND-SREVYHEPSA-N -1 3 275.311 3.002 20 0 CGADHM CCc1cc(C(=O)N[C@@](C)(CC)C2CC2)ccc1[O-] ZINC000618959741 349185935 /nfs/dbraw/zinc/18/59/35/349185935.db2.gz AVYCUGUBGJYXBM-INIZCTEOSA-N -1 3 261.365 3.263 20 0 CGADHM COc1cccc(C=Cc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000352028395 219295617 /nfs/dbraw/zinc/29/56/17/219295617.db2.gz TVAQHPMWYBSSKK-VMPITWQZSA-N -1 3 268.316 3.239 20 0 CGADHM CCOC(=O)c1ncc(NC(=O)CCCC[C@@H](C)CC)[n-]1 ZINC000619447545 349251330 /nfs/dbraw/zinc/25/13/30/349251330.db2.gz FJYCUUVMCSRNSG-NSHDSACASA-N -1 3 295.383 3.131 20 0 CGADHM CCOC(=O)c1nc(NC(=O)CCCC[C@@H](C)CC)c[n-]1 ZINC000619447545 349251334 /nfs/dbraw/zinc/25/13/34/349251334.db2.gz FJYCUUVMCSRNSG-NSHDSACASA-N -1 3 295.383 3.131 20 0 CGADHM CC(C)(CCNC(=O)c1ccccc1[O-])c1ccccc1 ZINC000619616229 349262649 /nfs/dbraw/zinc/26/26/49/349262649.db2.gz YLUJAJSDPJNASL-UHFFFAOYSA-N -1 3 283.371 3.490 20 0 CGADHM [O-]c1ccc(Cl)c(CN2CCC[C@@H](c3cc[nH]n3)C2)c1 ZINC000625096168 350127972 /nfs/dbraw/zinc/12/79/72/350127972.db2.gz MCFRZAUMJAVDPV-LLVKDONJSA-N -1 3 291.782 3.148 20 0 CGADHM [O-]c1ccc(Cl)c(CN2CC[C@@H](C(F)F)C2)c1 ZINC000625274837 350150342 /nfs/dbraw/zinc/15/03/42/350150342.db2.gz NKZYKNODQCMVGI-MRVPVSSYSA-N -1 3 261.699 3.133 20 0 CGADHM CC(C)c1ccc(C(=O)N(CC(F)F)C2CC2)c([O-])c1 ZINC000271275898 191043822 /nfs/dbraw/zinc/04/38/22/191043822.db2.gz NGMKAIWHECKAQV-UHFFFAOYSA-N -1 3 283.318 3.385 20 0 CGADHM [O-]c1ccc(Cl)c(CN2CCC[C@H]2[C@H]2CCCO2)c1 ZINC000625401861 350167603 /nfs/dbraw/zinc/16/76/03/350167603.db2.gz BZOOWZFFKCQQSA-LSDHHAIUSA-N -1 3 281.783 3.189 20 0 CGADHM CC(C)N(Cc1cc([O-])ccc1Cl)[C@@H]1CCOC1 ZINC000625444409 350171893 /nfs/dbraw/zinc/17/18/93/350171893.db2.gz IHSADCYZMXUHLL-GFCCVEGCSA-N -1 3 269.772 3.045 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1[C@H](C)C[C@@H]2CCCC[C@@H]21 ZINC000625695450 350196468 /nfs/dbraw/zinc/19/64/68/350196468.db2.gz NONXLMGDCQCRPF-RDBSUJKOSA-N -1 3 273.376 3.494 20 0 CGADHM O=C1CCCC12CCN(Cc1cc([O-])ccc1Cl)CC2 ZINC000625557072 350184211 /nfs/dbraw/zinc/18/42/11/350184211.db2.gz KPZLTJFRLNXKMS-UHFFFAOYSA-N -1 3 293.794 3.381 20 0 CGADHM Cc1cccc([O-])c1NC(=O)[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000626338460 350296664 /nfs/dbraw/zinc/29/66/64/350296664.db2.gz AYUBXWOSJUEGDI-VNQPRFMTSA-N -1 3 279.339 3.225 20 0 CGADHM COC1CCC(CCNC(=O)c2c(C)cccc2[O-])CC1 ZINC000626447129 350307444 /nfs/dbraw/zinc/30/74/44/350307444.db2.gz YHUXUGRZNYCLCN-UHFFFAOYSA-N -1 3 291.391 3.026 20 0 CGADHM Cc1cc(CN(C)C)cc(NC(=O)c2c(C)cccc2[O-])c1 ZINC000626281978 350291715 /nfs/dbraw/zinc/29/17/15/350291715.db2.gz ASCRXXAGRGHSJQ-UHFFFAOYSA-N -1 3 298.386 3.323 20 0 CGADHM Cc1ccccc1CCN(C)C(=O)c1c(C)cccc1[O-] ZINC000627569217 350367386 /nfs/dbraw/zinc/36/73/86/350367386.db2.gz MVNPWTSIYRZPKU-UHFFFAOYSA-N -1 3 283.371 3.324 20 0 CGADHM Cc1nc(C(C)C)oc1CNC(=O)c1c(C)cccc1[O-] ZINC000627464489 350361317 /nfs/dbraw/zinc/36/13/17/350361317.db2.gz CSMGQSYKZCERQD-UHFFFAOYSA-N -1 3 288.347 3.050 20 0 CGADHM Cc1cccc([O-])c1C(=O)NC[C@H]1CCCCC1(F)F ZINC000627566195 350366850 /nfs/dbraw/zinc/36/68/50/350366850.db2.gz SDVPZRFYJCHBGD-LLVKDONJSA-N -1 3 283.318 3.256 20 0 CGADHM CCC[C@@]1(COC)CCCN1C(=O)c1c(C)cccc1[O-] ZINC000626681073 350332001 /nfs/dbraw/zinc/33/20/01/350332001.db2.gz LSYFPHMAUDRQSZ-KRWDZBQOSA-N -1 3 291.391 3.122 20 0 CGADHM CC[C@@H]1CC[C@H](C)N(C(=O)c2c(C)cccc2[O-])C1 ZINC000627681945 350374849 /nfs/dbraw/zinc/37/48/49/350374849.db2.gz VVYRWAFAQAMSSQ-QWHCGFSZSA-N -1 3 261.365 3.351 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CC(C)(CC(F)(F)F)C1 ZINC000627699577 350375583 /nfs/dbraw/zinc/37/55/83/350375583.db2.gz UDDAAONESFADLX-UHFFFAOYSA-N -1 3 287.281 3.115 20 0 CGADHM COc1ccc(C(=O)N2CC[C@@H](C)C3(CCC3)C2)c([O-])c1 ZINC000271375058 191105484 /nfs/dbraw/zinc/10/54/84/191105484.db2.gz QIGRJCLGTJXSEZ-GFCCVEGCSA-N -1 3 289.375 3.053 20 0 CGADHM Cc1ccc(C(=O)N2C[C@@H](C)C(F)(F)[C@H](C)C2)c([O-])c1C ZINC000628396374 350526121 /nfs/dbraw/zinc/52/61/21/350526121.db2.gz HNAZIFXSEBWYJC-GHMZBOCLSA-N -1 3 297.345 3.372 20 0 CGADHM Cc1cccc([O-])c1C(=O)N[C@@H]1C[C@H]1c1ccsc1 ZINC000628959498 350625782 /nfs/dbraw/zinc/62/57/82/350625782.db2.gz HJWUEIFCLGGWKH-NWDGAFQWSA-N -1 3 273.357 3.048 20 0 CGADHM C[C@@H]1CN(Cc2ccccc2C(=O)[O-])C[C@@H](C)C1(F)F ZINC000629363603 350677972 /nfs/dbraw/zinc/67/79/72/350677972.db2.gz GIPLPZJXZYBRQN-GHMZBOCLSA-N -1 3 283.318 3.108 20 0 CGADHM O=C([O-])c1cnc(C2CCN([C@@H]3C=CCCC3)CC2)s1 ZINC000629367538 350679928 /nfs/dbraw/zinc/67/99/28/350679928.db2.gz OAUWZZDQZWZLPK-GFCCVEGCSA-N -1 3 292.404 3.129 20 0 CGADHM Cc1cc(C(=O)NC[C@H]2CCCC23CC3)ccc1[O-] ZINC000629830072 350770348 /nfs/dbraw/zinc/77/03/48/350770348.db2.gz KIWMRKDLWCYVLZ-CYBMUJFWSA-N -1 3 259.349 3.011 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)C2=CCCCC2)c1-c1ccccc1F ZINC000630024442 350798408 /nfs/dbraw/zinc/79/84/08/350798408.db2.gz YBPIPAIMSGWGJS-UHFFFAOYSA-N -1 3 299.349 3.385 20 0 CGADHM CSc1cc(C(=O)[N-]c2nnc(C(C)(C)C)s2)co1 ZINC000630800728 350889575 /nfs/dbraw/zinc/88/95/75/350889575.db2.gz KELWWHOPKLGPCS-UHFFFAOYSA-N -1 3 297.405 3.403 20 0 CGADHM [O-]c1cccc(CN[C@]23C[C@H]2CCCC3)c1Cl ZINC000631225785 350997986 /nfs/dbraw/zinc/99/79/86/350997986.db2.gz KPJWVLFQZVOBLO-BXUZGUMPSA-N -1 3 251.757 3.468 20 0 CGADHM CC(C)(C)c1ccc(NC(=O)CC2CSC2)c([O-])c1 ZINC000632885878 351227018 /nfs/dbraw/zinc/22/70/18/351227018.db2.gz AWTDPDGBEUAROL-UHFFFAOYSA-N -1 3 279.405 3.381 20 0 CGADHM CC(=O)c1cc(F)c([N-]C(=O)c2ccoc2)c(F)c1 ZINC000336513787 213392386 /nfs/dbraw/zinc/39/23/86/213392386.db2.gz LOHPGLMQRZRMEO-UHFFFAOYSA-N -1 3 265.215 3.013 20 0 CGADHM CCc1cc(C(=O)N[C@@]23C[C@@H]2CCCC3)ccc1[O-] ZINC000634090894 351438178 /nfs/dbraw/zinc/43/81/78/351438178.db2.gz RAEWXRKFOAEVNT-BBRMVZONSA-N -1 3 259.349 3.017 20 0 CGADHM CCC(C)(C)CCNC(=O)c1c[n-]nc1-c1ccccn1 ZINC000633968141 351410027 /nfs/dbraw/zinc/41/00/27/351410027.db2.gz DJMRETYFGMFSTC-UHFFFAOYSA-N -1 3 286.379 3.028 20 0 CGADHM Cc1cc(-n2[n-]c(-c3ccccc3)c(C(C)C)c2=O)ccn1 ZINC000634618947 351547323 /nfs/dbraw/zinc/54/73/23/351547323.db2.gz JOHQFNAHAIPOEB-INIZCTEOSA-N -1 3 293.370 3.413 20 0 CGADHM C[C@@H]1CCc2[n-]n([C@@H]3CCc4c3cccc4F)c(=O)c21 ZINC000634632286 351554326 /nfs/dbraw/zinc/55/43/26/351554326.db2.gz NUZXWRRMFIELHQ-DFKRKDTASA-N -1 3 272.323 3.057 20 0 CGADHM CCc1cccc(-c2nc(COC3CCC3)no2)c1[O-] ZINC000634671950 351559771 /nfs/dbraw/zinc/55/97/71/351559771.db2.gz AXLDNDBWTQKWTN-UHFFFAOYSA-N -1 3 274.320 3.074 20 0 CGADHM CCc1cc(C(=O)NCCCCCSC)ccc1[O-] ZINC000291588705 198044069 /nfs/dbraw/zinc/04/40/69/198044069.db2.gz DENLGBSIENKWSU-UHFFFAOYSA-N -1 3 281.421 3.218 20 0 CGADHM CC(=O)c1ccc(C(=O)N(C)C[C@H](C)C(C)(C)C)cc1[O-] ZINC000636429330 351755780 /nfs/dbraw/zinc/75/57/80/351755780.db2.gz DOBOBHRDFODFBP-NSHDSACASA-N -1 3 291.391 3.349 20 0 CGADHM CCc1cc(C(=O)N(C)[C@@H](CC)CSC)ccc1[O-] ZINC000291726528 198072606 /nfs/dbraw/zinc/07/26/06/198072606.db2.gz RLTISAHVCMBCGY-ZDUSSCGKSA-N -1 3 281.421 3.168 20 0 CGADHM CCc1cc(C(=O)N[C@@H]2CCc3c2cccc3O)ccc1[O-] ZINC000291948864 198114276 /nfs/dbraw/zinc/11/42/76/198114276.db2.gz OAIQACDCDIZQEE-OAHLLOKOSA-N -1 3 297.354 3.078 20 0 CGADHM O=C(c1cc([O-])c2ccccc2c1)N1CC[C@@H](C2CC2)C1 ZINC000369099956 234356129 /nfs/dbraw/zinc/35/61/29/234356129.db2.gz LISWJTXKKRNBKO-CQSZACIVSA-N -1 3 281.355 3.418 20 0 CGADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1ccc(F)cc1Cl ZINC000155467436 188208181 /nfs/dbraw/zinc/20/81/81/188208181.db2.gz ACXSVQQHLNDAMM-LLVKDONJSA-N -1 3 288.706 3.059 20 0 CGADHM O=C([N-]O[C@@H]1CCCCO1)Nc1ccc(F)cc1Cl ZINC000155467436 188208182 /nfs/dbraw/zinc/20/81/82/188208182.db2.gz ACXSVQQHLNDAMM-LLVKDONJSA-N -1 3 288.706 3.059 20 0 CGADHM Cc1ccc([O-])c(CN2CC(C)(C)[C@H]2c2cccnc2)n1 ZINC000292702860 198381652 /nfs/dbraw/zinc/38/16/52/198381652.db2.gz CNGOJBGBNHGHDN-MRXNPFEDSA-N -1 3 283.375 3.074 20 0 CGADHM COc1cccc([C@@H](C)CC(=O)[N-]OC2CCCC2)c1 ZINC000271767489 191316043 /nfs/dbraw/zinc/31/60/43/191316043.db2.gz NINSSXCSVYEWGE-LBPRGKRZSA-N -1 3 277.364 3.179 20 0 CGADHM CCOc1cc(NC([O-])=NOC2CCCC2)ccc1C ZINC000271844252 191363424 /nfs/dbraw/zinc/36/34/24/191363424.db2.gz VBNXUUMWQSZSOL-UHFFFAOYSA-N -1 3 278.352 3.389 20 0 CGADHM CCOc1cc(NC(=O)[N-]OC2CCCC2)ccc1C ZINC000271844252 191363427 /nfs/dbraw/zinc/36/34/27/191363427.db2.gz VBNXUUMWQSZSOL-UHFFFAOYSA-N -1 3 278.352 3.389 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)[C@@H]2CCO[C@@H](C)C2)c1[O-] ZINC000271848441 191364358 /nfs/dbraw/zinc/36/43/58/191364358.db2.gz IWQQKJGPVWPFIE-VHSXEESVSA-N -1 3 283.755 3.108 20 0 CGADHM COc1cc(C(=O)N[C@H]2CCC[C@H]2C(C)(C)C)ccc1[O-] ZINC000413996662 235322011 /nfs/dbraw/zinc/32/20/11/235322011.db2.gz VEMAGIRRGMITOJ-OLZOCXBDSA-N -1 3 291.391 3.345 20 0 CGADHM Cc1nn(C(C)C)cc1C=Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000414076724 235330214 /nfs/dbraw/zinc/33/02/14/235330214.db2.gz PAZQOLOFPZWZDD-VOTSOKGWSA-N -1 3 284.363 3.316 20 0 CGADHM CCc1nc(C(C)C)ccc1C(=O)Nc1ncccc1[O-] ZINC000293555790 198682587 /nfs/dbraw/zinc/68/25/87/198682587.db2.gz UFZLPPAUSKEPPP-UHFFFAOYSA-N -1 3 285.347 3.120 20 0 CGADHM Cc1ccc(OCC(=O)Nc2ccc([O-])cc2F)c(C)c1 ZINC000124586239 138376123 /nfs/dbraw/zinc/37/61/23/138376123.db2.gz ILHPUMYLAHEPET-UHFFFAOYSA-N -1 3 289.306 3.166 20 0 CGADHM Cc1cc([N-]C(=O)c2cc(F)c(Cl)cc2F)no1 ZINC000125222941 138380685 /nfs/dbraw/zinc/38/06/85/138380685.db2.gz NFNHGSGDKFWPIT-UHFFFAOYSA-N -1 3 272.638 3.167 20 0 CGADHM C[C@@H]1CCCN(C(=O)Cc2ccc([O-])cc2Cl)[C@@H]1C ZINC000178433793 138427523 /nfs/dbraw/zinc/42/75/23/138427523.db2.gz BBVAPEBCXSEXRK-GHMZBOCLSA-N -1 3 281.783 3.235 20 0 CGADHM C[C@H]1C[C@H](C)N1C(=O)CCc1ccc2ccccc2c1[O-] ZINC000336263332 213100160 /nfs/dbraw/zinc/10/01/60/213100160.db2.gz DRSSSAYDUZWKCA-STQMWFEESA-N -1 3 283.371 3.487 20 0 CGADHM CN(CCc1nccs1)Cc1cccc([O-])c1Cl ZINC000294480451 199056189 /nfs/dbraw/zinc/05/61/89/199056189.db2.gz ZYQQMXBPHQFWHE-UHFFFAOYSA-N -1 3 282.796 3.177 20 0 CGADHM [O-]c1cccc(CN2CCC([C@@H]3CCCO3)CC2)c1Cl ZINC000294486553 199059001 /nfs/dbraw/zinc/05/90/01/199059001.db2.gz AVUSTRPANVLZQE-HNNXBMFYSA-N -1 3 295.810 3.437 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)C[C@H](C)n2cccn2)c1[O-] ZINC000424752072 236187529 /nfs/dbraw/zinc/18/75/29/236187529.db2.gz NTVZBXHOTCSDOS-JTQLQIEISA-N -1 3 293.754 3.140 20 0 CGADHM Cc1ccc(F)cc1CNCc1ccccc1CC(=O)[O-] ZINC000426709585 236307057 /nfs/dbraw/zinc/30/70/57/236307057.db2.gz DLZLQFBFCCBMIO-UHFFFAOYSA-N -1 3 287.334 3.051 20 0 CGADHM COc1ccccc1CN[C@H](C(=O)[O-])c1cc(C)cc(C)c1 ZINC000426744230 236310419 /nfs/dbraw/zinc/31/04/19/236310419.db2.gz CGRYDBONGVJYTE-KRWDZBQOSA-N -1 3 299.370 3.228 20 0 CGADHM C[C@H](C(=O)[O-])[C@@H](NCc1ccccc1F)c1ccccc1 ZINC000426754346 236311088 /nfs/dbraw/zinc/31/10/88/236311088.db2.gz PODPKUZOLCOLRQ-BLLLJJGKSA-N -1 3 287.334 3.377 20 0 CGADHM O=C([O-])[C@H](NCc1ccc(Cl)s1)c1cccc(F)c1 ZINC000426800415 236315438 /nfs/dbraw/zinc/31/54/38/236315438.db2.gz NQVHPYALXASCGG-GFCCVEGCSA-N -1 3 299.754 3.456 20 0 CGADHM Cc1ccccc1CN[C@H](C(=O)[O-])c1cccc(F)c1 ZINC000426805340 236315625 /nfs/dbraw/zinc/31/56/25/236315625.db2.gz ANXGANPXSJLNTJ-HNNXBMFYSA-N -1 3 273.307 3.050 20 0 CGADHM Cc1cccc(CCCNCc2c(F)ccc([O-])c2F)n1 ZINC000294782502 199180534 /nfs/dbraw/zinc/18/05/34/199180534.db2.gz UNCHINQEWMTFIW-UHFFFAOYSA-N -1 3 292.329 3.096 20 0 CGADHM Cc1ccc(OCCNC(=O)c2ccc(C)c(C)c2[O-])cc1 ZINC000436636849 237149643 /nfs/dbraw/zinc/14/96/43/237149643.db2.gz SKSOASQXKHUYGR-UHFFFAOYSA-N -1 3 299.370 3.126 20 0 CGADHM Cc1ccc(C(=O)N2Cc3ccccc3[C@@H]2C)c([O-])c1 ZINC000436580654 237138691 /nfs/dbraw/zinc/13/86/91/237138691.db2.gz CKSNLJPDENWVGF-LBPRGKRZSA-N -1 3 267.328 3.418 20 0 CGADHM CC[C@H]1CCc2nc(NC([O-])=NOCC3CC3)sc2C1 ZINC000296919222 200034743 /nfs/dbraw/zinc/03/47/43/200034743.db2.gz ZAHTYJAGNWCNPZ-VIFPVBQESA-N -1 3 295.408 3.121 20 0 CGADHM CC[C@H]1CCc2nc(NC(=O)[N-]OCC3CC3)sc2C1 ZINC000296919222 200034745 /nfs/dbraw/zinc/03/47/45/200034745.db2.gz ZAHTYJAGNWCNPZ-VIFPVBQESA-N -1 3 295.408 3.121 20 0 CGADHM C[C@H](CNC(=O)c1ccccc1[O-])Sc1ccccc1 ZINC000436719158 237167790 /nfs/dbraw/zinc/16/77/90/237167790.db2.gz NYMKOJLSUKYNTB-GFCCVEGCSA-N -1 3 287.384 3.303 20 0 CGADHM C[C@H](NC(=O)c1ccccc1[O-])[C@@H](C)c1ccccc1 ZINC000436728400 237169244 /nfs/dbraw/zinc/16/92/44/237169244.db2.gz LEOVJVMMTRPKMN-OLZOCXBDSA-N -1 3 269.344 3.314 20 0 CGADHM Cc1ccc(Cc2nc(-c3ccc([O-])cc3)no2)s1 ZINC000436766572 237178221 /nfs/dbraw/zinc/17/82/21/237178221.db2.gz DFGHVKKVHHRGBY-UHFFFAOYSA-N -1 3 272.329 3.403 20 0 CGADHM Cc1ccc(CC[C@@H](C)NC(=O)c2ccc([O-])c(C)c2)o1 ZINC000436936954 237218769 /nfs/dbraw/zinc/21/87/69/237218769.db2.gz GWCBIAQAKQWKTQ-GFCCVEGCSA-N -1 3 287.359 3.353 20 0 CGADHM COCc1ncsc1C(=O)[N-]c1ccsc1Cl ZINC000341578637 216018897 /nfs/dbraw/zinc/01/88/97/216018897.db2.gz SWRRKKCDFULVTH-UHFFFAOYSA-N -1 3 288.781 3.257 20 0 CGADHM Cc1ccc([O-])c(C(=O)N[C@H](C)c2c(F)cccc2F)c1 ZINC000436896202 237204688 /nfs/dbraw/zinc/20/46/88/237204688.db2.gz XNJHIYXPLNBNCY-SNVBAGLBSA-N -1 3 291.297 3.470 20 0 CGADHM Cc1ccc2c(c1C)OC[C@@H]2NC(=O)c1ccc([O-])c(C)c1 ZINC000436925473 237212148 /nfs/dbraw/zinc/21/21/48/237212148.db2.gz GGEDHKPWHWUABO-HNNXBMFYSA-N -1 3 297.354 3.181 20 0 CGADHM O=C(N[C@@H]1C[C@H]1c1ccc(Cl)cc1)c1cccc([O-])c1 ZINC000437374699 237281043 /nfs/dbraw/zinc/28/10/43/237281043.db2.gz RIXBKQDACPQHMH-LSDHHAIUSA-N -1 3 287.746 3.332 20 0 CGADHM O=C([O-])[C@]12CCC[C@H]1CN(Cc1sccc1Cl)C2 ZINC000297090750 200082547 /nfs/dbraw/zinc/08/25/47/200082547.db2.gz VPFSEGIPHOBPRV-ZANVPECISA-N -1 3 285.796 3.088 20 0 CGADHM C[C@H](C(=O)Nc1ncccc1[O-])c1cccc(Cl)c1 ZINC000341900228 216143128 /nfs/dbraw/zinc/14/31/28/216143128.db2.gz KJTZMCBZGLKHFB-VIFPVBQESA-N -1 3 276.723 3.183 20 0 CGADHM CCS[C@@H]1CCCCN([C@@H](C)c2nc(C)cc(=O)[n-]2)C1 ZINC000177922328 189079425 /nfs/dbraw/zinc/07/94/25/189079425.db2.gz XSLZTUDIDLJHST-QWHCGFSZSA-N -1 3 295.452 3.159 20 0 CGADHM Cc1ccsc1[C@@H]1C[C@H]1C(=O)[N-]OCc1ccccc1 ZINC000178556864 189126368 /nfs/dbraw/zinc/12/63/68/189126368.db2.gz KMLUGWNHUNDLJB-ZIAGYGMSSA-N -1 3 287.384 3.408 20 0 CGADHM O=c1nc([C@H]2CCCO2)[n-]c2sc3c(c21)CCCCC3 ZINC000178984365 189159632 /nfs/dbraw/zinc/15/96/32/189159632.db2.gz YLHZLLJQYVECCJ-SNVBAGLBSA-N -1 3 290.388 3.105 20 0 CGADHM Cc1occc1S[C@@H](C)c1nc(C)cc(=O)[n-]1 ZINC000181284941 189292757 /nfs/dbraw/zinc/29/27/57/189292757.db2.gz SUDKCWNLJQLJLT-VIFPVBQESA-N -1 3 250.323 3.245 20 0 CGADHM CCCOc1ccc(NC(=O)[N-]OCC)cc1Cl ZINC000182943414 189340852 /nfs/dbraw/zinc/34/08/52/189340852.db2.gz KSSJPSKSVTYCMI-UHFFFAOYSA-N -1 3 272.732 3.202 20 0 CGADHM [O-]c1cc(F)cc(CNc2ccc(N3CCCC3)nc2)c1 ZINC000184137175 189377544 /nfs/dbraw/zinc/37/75/44/189377544.db2.gz RPUFEHVCCVXKHL-UHFFFAOYSA-N -1 3 287.338 3.139 20 0 CGADHM Cc1ccc(C(=O)N=c2cc(-c3cccc(F)c3)o[n-]2)o1 ZINC000448539533 238968370 /nfs/dbraw/zinc/96/83/70/238968370.db2.gz UVTFQDBTHKCAIP-UHFFFAOYSA-N -1 3 286.262 3.056 20 0 CGADHM Cc1ccc(NC(=O)c2cnc(C3CC3)s2)c([O-])c1 ZINC000335665275 212384315 /nfs/dbraw/zinc/38/43/15/212384315.db2.gz UOALQUQCXWAVFU-UHFFFAOYSA-N -1 3 274.345 3.287 20 0 CGADHM C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)Cc1ccc([O-])c(F)c1 ZINC000450039464 239744905 /nfs/dbraw/zinc/74/49/05/239744905.db2.gz CTHZHVIGPOCYPY-BXUZGUMPSA-N -1 3 293.382 3.405 20 0 CGADHM C[C@@H]1CCC[C@@H](CNC(=O)Cc2ccc([O-])c(F)c2)[C@H]1C ZINC000451369999 240285137 /nfs/dbraw/zinc/28/51/37/240285137.db2.gz BCSZIOYNBBTQDW-DYEKYZERSA-N -1 3 293.382 3.262 20 0 CGADHM CC[C@H]1CCC[C@@H]1CNC(=O)NCc1ccc([O-])c(F)c1 ZINC000455269625 241226574 /nfs/dbraw/zinc/22/65/74/241226574.db2.gz GRWWRXZUYZJOIV-QWHCGFSZSA-N -1 3 294.370 3.157 20 0 CGADHM CC[C@@]1(C(C)C)C[C@@H]1NC(=O)NCc1ccc([O-])c(F)c1 ZINC000455627352 241299890 /nfs/dbraw/zinc/29/98/90/241299890.db2.gz PMBAAZDLHGAZEW-HOCLYGCPSA-N -1 3 294.370 3.155 20 0 CGADHM CC(C)(NC(=O)Cc1ccc([O-])cc1Cl)C1CCC1 ZINC000456148674 241368183 /nfs/dbraw/zinc/36/81/83/241368183.db2.gz PYKCWEIHDZMOPS-UHFFFAOYSA-N -1 3 281.783 3.283 20 0 CGADHM Cc1cccc([C@@H](C)C(=O)Nc2nnc(-c3ccco3)[n-]2)c1 ZINC000121022253 370823698 /nfs/dbraw/zinc/82/36/98/370823698.db2.gz PQZLJJPPWGMINJ-LLVKDONJSA-N -1 3 296.330 3.115 20 0 CGADHM Cc1cccc([C@@H](C)C(=O)Nc2nc(-c3ccco3)n[n-]2)c1 ZINC000121022253 370823705 /nfs/dbraw/zinc/82/37/05/370823705.db2.gz PQZLJJPPWGMINJ-LLVKDONJSA-N -1 3 296.330 3.115 20 0 CGADHM Cc1cccc([C@@H](C)C(=O)Nc2n[n-]c(-c3ccco3)n2)c1 ZINC000121022253 370823709 /nfs/dbraw/zinc/82/37/09/370823709.db2.gz PQZLJJPPWGMINJ-LLVKDONJSA-N -1 3 296.330 3.115 20 0 CGADHM O=c1cc(CNC2(c3ccccc3)CCC2)nc(C2CC2)[n-]1 ZINC000459340620 242078113 /nfs/dbraw/zinc/07/81/13/242078113.db2.gz BMEJUXUXTVPWIN-UHFFFAOYSA-N -1 3 295.386 3.229 20 0 CGADHM C[C@H](NCc1cc([O-])cc(F)c1)c1nc2c(s1)CCC2 ZINC000459645461 242161791 /nfs/dbraw/zinc/16/17/91/242161791.db2.gz GTGBGCPSDYKLSI-VIFPVBQESA-N -1 3 292.379 3.327 20 0 CGADHM C[C@H]1CCCC[C@H]1C(=O)Nc1cccc([O-])c1F ZINC000335538130 212236080 /nfs/dbraw/zinc/23/60/80/212236080.db2.gz GJEYWESDQVEVRF-VHSXEESVSA-N -1 3 251.301 3.296 20 0 CGADHM O=S(=O)([N-]CCCCC1CCCC1)c1cccs1 ZINC000462564527 242352203 /nfs/dbraw/zinc/35/22/03/242352203.db2.gz HJRJLXUJPJJQIX-UHFFFAOYSA-N -1 3 287.450 3.387 20 0 CGADHM CC(C)(C)C[C@H](N=c1ncnc2[nH][n-]cc1-2)c1ccccc1 ZINC000462869481 242370092 /nfs/dbraw/zinc/37/00/92/242370092.db2.gz BRSITBWGNJLQOK-AWEZNQCLSA-N -1 3 295.390 3.316 20 0 CGADHM CC(C)C[C@H](C)C(=O)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000463196688 242388830 /nfs/dbraw/zinc/38/88/30/242388830.db2.gz LXBKPTSFVLIKMD-LBPRGKRZSA-N -1 3 271.364 3.119 20 0 CGADHM CCc1ccc([O-])c(C(=O)NCCCCCSC)c1 ZINC000482243952 243221932 /nfs/dbraw/zinc/22/19/32/243221932.db2.gz NEZWIPKOUWDHKD-UHFFFAOYSA-N -1 3 281.421 3.218 20 0 CGADHM C[C@]1(C(=O)Nc2cc(Cl)ccc2[O-])C[C@H]2C[C@H]2C1 ZINC000485505068 243335915 /nfs/dbraw/zinc/33/59/15/243335915.db2.gz NDURDBGVVXPZSX-QRJZZWFUSA-N -1 3 265.740 3.420 20 0 CGADHM CCc1cc(C(=O)N[C@H]2C[C@H]2Cc2ccccc2)ccc1[O-] ZINC000486473359 243362415 /nfs/dbraw/zinc/36/24/15/243362415.db2.gz VIIGDKBXKWDQOX-SJORKVTESA-N -1 3 295.382 3.316 20 0 CGADHM Cc1cccc(C(=O)N[C@H](C)c2ccccc2)c1[O-] ZINC000019836876 368769694 /nfs/dbraw/zinc/76/96/94/368769694.db2.gz GEDLFMNHDVYFDM-GFCCVEGCSA-N -1 3 255.317 3.192 20 0 CGADHM Cc1cccc(C(=O)Nc2ccc(F)c(F)c2)c1[O-] ZINC000019839273 368770556 /nfs/dbraw/zinc/77/05/56/368770556.db2.gz LADPIQXPDXKJEY-UHFFFAOYSA-N -1 3 263.243 3.231 20 0 CGADHM CCCc1nnc([N-]C(=O)c2c(C)noc2C(C)C)s1 ZINC000026840307 368864771 /nfs/dbraw/zinc/86/47/71/368864771.db2.gz AHCBLLYDBSOMFA-UHFFFAOYSA-N -1 3 294.380 3.163 20 0 CGADHM CC(C)N(CCC(=O)[O-])Cc1ccccc1Cl ZINC000037596036 369090008 /nfs/dbraw/zinc/09/00/08/369090008.db2.gz HHLMMOOHYDJUTD-UHFFFAOYSA-N -1 3 255.745 3.025 20 0 CGADHM O=C(/C=C\c1ccc(Cl)nc1)Nc1ccc([O-])cc1F ZINC000492645195 244000146 /nfs/dbraw/zinc/00/01/46/244000146.db2.gz JHBGDVPWGGXRSJ-KXFIGUGUSA-N -1 3 292.697 3.232 20 0 CGADHM O=C(/C=C\c1ccccc1Cl)[N-]OCCC(F)(F)F ZINC000492719452 244012766 /nfs/dbraw/zinc/01/27/66/244012766.db2.gz NGURBYQHWIGQPU-WAYWQWQTSA-N -1 3 293.672 3.353 20 0 CGADHM COc1cccc(/C=C\C(=O)Nc2ccc([O-])cc2F)c1 ZINC000492730602 244012912 /nfs/dbraw/zinc/01/29/12/244012912.db2.gz CLKWYFJJWLAXKM-YVMONPNESA-N -1 3 287.290 3.192 20 0 CGADHM O=C(/C=C\c1ccc(F)c(F)c1)Nc1ccccc1[O-] ZINC000492860723 244040029 /nfs/dbraw/zinc/04/00/29/244040029.db2.gz DOSMLXDKUHVVID-VURMDHGXSA-N -1 3 275.254 3.322 20 0 CGADHM CC(C)(C)c1csc(NC(=O)c2cccc([O-])c2)n1 ZINC000042272867 369210738 /nfs/dbraw/zinc/21/07/38/369210738.db2.gz TXMICQPOIGASDU-UHFFFAOYSA-N -1 3 276.361 3.399 20 0 CGADHM COc1cc(C(=O)N(C)CCCc2ccccc2)ccc1[O-] ZINC000276068397 193203976 /nfs/dbraw/zinc/20/39/76/193203976.db2.gz FEVCLZZZCGHJHK-UHFFFAOYSA-N -1 3 299.370 3.106 20 0 CGADHM Cc1ccc(C(=O)N(C)CC2CCCCC2)c([O-])c1 ZINC000047892541 369332036 /nfs/dbraw/zinc/33/20/36/369332036.db2.gz MBAVKAPXGRWFOG-UHFFFAOYSA-N -1 3 261.365 3.353 20 0 CGADHM COc1ccc(CN(C)C(=O)c2ccc(C)c(C)c2[O-])cc1 ZINC000048384936 369345495 /nfs/dbraw/zinc/34/54/95/369345495.db2.gz WTOLZVLWBLOXRW-UHFFFAOYSA-N -1 3 299.370 3.290 20 0 CGADHM O=C([N-]c1nnc(-c2ccsc2)s1)c1ccoc1 ZINC000048706477 369366752 /nfs/dbraw/zinc/36/67/52/369366752.db2.gz HCLYMJSFCHMBOG-UHFFFAOYSA-N -1 3 277.330 3.112 20 0 CGADHM COc1cccc(C(=O)N2CCC(C(C)(C)C)CC2)c1[O-] ZINC000050348907 369436790 /nfs/dbraw/zinc/43/67/90/369436790.db2.gz ADVGQFKHWRPSEC-UHFFFAOYSA-N -1 3 291.391 3.299 20 0 CGADHM Cc1cccc(CN[C@H](C(=O)[O-])c2ccccc2)c1C ZINC000050510264 369439673 /nfs/dbraw/zinc/43/96/73/369439673.db2.gz GXQCLKHXQCREAP-INIZCTEOSA-N -1 3 269.344 3.219 20 0 CGADHM Cc1cc(C)cc(CN[C@H](C(=O)[O-])c2ccccc2)c1 ZINC000050510325 369440229 /nfs/dbraw/zinc/44/02/29/369440229.db2.gz JKUNLPHZOVXMGV-INIZCTEOSA-N -1 3 269.344 3.219 20 0 CGADHM Cc1cc(CN[C@H](C(=O)[O-])c2ccccc2)ccc1F ZINC000050545757 369440857 /nfs/dbraw/zinc/44/08/57/369440857.db2.gz ZHYOMQUYMBFQNU-HNNXBMFYSA-N -1 3 273.307 3.050 20 0 CGADHM CCCN(CC(F)F)C(=O)c1ccc(CC)cc1[O-] ZINC000276252957 193258739 /nfs/dbraw/zinc/25/87/39/193258739.db2.gz SIRNYWUCEWXFBB-UHFFFAOYSA-N -1 3 271.307 3.072 20 0 CGADHM CC[C@H](C)N(CC(=O)[O-])Cc1cc2ccccc2o1 ZINC000086752402 370021514 /nfs/dbraw/zinc/02/15/14/370021514.db2.gz VCVVORRWMSXRLB-NSHDSACASA-N -1 3 261.321 3.118 20 0 CGADHM C[C@@H]1CC[C@H](NC(=O)c2c[n-]c3ccccc3c2=O)[C@H](C)C1 ZINC000113436345 370474510 /nfs/dbraw/zinc/47/45/10/370474510.db2.gz HLYGYBVPNMBOFC-JMSVASOKSA-N -1 3 298.386 3.083 20 0 CGADHM CC1=C[C@H](C)CN(Cc2cccc([O-])c2Cl)C1 ZINC000513421336 245077632 /nfs/dbraw/zinc/07/76/32/245077632.db2.gz VQGBINKJMFCLEI-JTQLQIEISA-N -1 3 251.757 3.444 20 0 CGADHM O=C(C[C@@H]1OCCc2ccccc21)Nc1ccccc1[O-] ZINC000115708281 370540396 /nfs/dbraw/zinc/54/03/96/370540396.db2.gz STWVAEMGFWMEHW-INIZCTEOSA-N -1 3 283.327 3.035 20 0 CGADHM CSc1cccc(NC(=O)[N-]c2nnc3ccccn32)c1 ZINC000118020619 370603949 /nfs/dbraw/zinc/60/39/49/370603949.db2.gz OHVAHAHQQBRMGB-UHFFFAOYSA-N -1 3 299.359 3.095 20 0 CGADHM C[C@@H](CC(=O)Nc1ncccc1[O-])c1cccc(F)c1 ZINC000116440958 370561090 /nfs/dbraw/zinc/56/10/90/370561090.db2.gz JNRPIXDCCZJROT-JTQLQIEISA-N -1 3 274.295 3.059 20 0 CGADHM Cc1ccc(C(=O)Nc2cc(Cl)cc(C)c2[O-])n1C ZINC000116979290 370576193 /nfs/dbraw/zinc/57/61/93/370576193.db2.gz NPJLVEBHDUVJKW-UHFFFAOYSA-N -1 3 278.739 3.253 20 0 CGADHM CSc1ccc(C(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000132785203 371202029 /nfs/dbraw/zinc/20/20/29/371202029.db2.gz VIYNJDJCLMWPFL-UHFFFAOYSA-N -1 3 291.347 3.183 20 0 CGADHM C[C@H](CC1CCCC1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000132798100 371203864 /nfs/dbraw/zinc/20/38/64/371203864.db2.gz XIZCZFYTFJWJFB-LLVKDONJSA-N -1 3 279.355 3.364 20 0 CGADHM O=C(NCc1ccc([O-])c(F)c1)c1ccccc1Cl ZINC000132863821 371207392 /nfs/dbraw/zinc/20/73/92/371207392.db2.gz GUJIMRMEXVNJAR-UHFFFAOYSA-N -1 3 279.698 3.115 20 0 CGADHM CC(C)C[C@@H]1CCCN1C(=O)c1c[n-]c2ccccc2c1=O ZINC000133217864 371235927 /nfs/dbraw/zinc/23/59/27/371235927.db2.gz XKXSOHMBZXLZOP-ZDUSSCGKSA-N -1 3 298.386 3.179 20 0 CGADHM CCCC[C@H](CC)C[N-]S(=O)(=O)c1cccs1 ZINC000013938900 541853042 /nfs/dbraw/zinc/85/30/42/541853042.db2.gz WKOQZDLOSWOXQP-NSHDSACASA-N -1 3 275.439 3.243 20 0 CGADHM CC(C)n1nccc1NC(=O)Cc1ccc([O-])cc1Cl ZINC000136121530 371461425 /nfs/dbraw/zinc/46/14/25/371461425.db2.gz UTVHQWSMKZTHCB-UHFFFAOYSA-N -1 3 293.754 3.004 20 0 CGADHM CCO[C@H](C(=O)Nc1ccc(C)cc1[O-])c1ccccc1 ZINC000141361777 371513542 /nfs/dbraw/zinc/51/35/42/371513542.db2.gz BFQBRDGUKWZFRW-INIZCTEOSA-N -1 3 285.343 3.417 20 0 CGADHM Cc1cc(C(=O)NCc2ccc([O-])c(F)c2)ccc1Cl ZINC000150805731 371539476 /nfs/dbraw/zinc/53/94/76/371539476.db2.gz KHEHIWVGHGXVOW-UHFFFAOYSA-N -1 3 293.725 3.423 20 0 CGADHM C[C@H]1C[C@H](C(=O)[O-])CN(CCc2ccc(F)cc2Cl)C1 ZINC000422639339 371754299 /nfs/dbraw/zinc/75/42/99/371754299.db2.gz WNEZVNDZSSMZPA-JQWIXIFHSA-N -1 3 299.773 3.064 20 0 CGADHM CC[C@H](SC)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000153527813 371773974 /nfs/dbraw/zinc/77/39/74/371773974.db2.gz DHORGARKXQEJSV-JTQLQIEISA-N -1 3 293.310 3.491 20 0 CGADHM CCOc1ccc([C@H](C)NC(=O)c2ccccc2[O-])cc1 ZINC000029773940 541858829 /nfs/dbraw/zinc/85/88/29/541858829.db2.gz YERZTYYVPPKHJG-LBPRGKRZSA-N -1 3 285.343 3.282 20 0 CGADHM CC(C)c1noc([N-]Cc2ccn(C3CCCC3)n2)n1 ZINC000154745076 371874807 /nfs/dbraw/zinc/87/48/07/371874807.db2.gz BWIKQVJGTPDWOX-UHFFFAOYSA-N -1 3 275.356 3.117 20 0 CGADHM COc1ccc([O-])c(C(=O)N2CCC[C@H]2CCC(C)C)c1 ZINC000155618192 371935896 /nfs/dbraw/zinc/93/58/96/371935896.db2.gz WHLOPVAIRUTJIG-ZDUSSCGKSA-N -1 3 291.391 3.442 20 0 CGADHM CC(C)CC[C@H](C)NC(=O)NCc1ccc([O-])c(F)c1 ZINC000155052138 371901060 /nfs/dbraw/zinc/90/10/60/371901060.db2.gz ADGHMUQMSMERNY-NSHDSACASA-N -1 3 282.359 3.155 20 0 CGADHM O=C([N-]c1nc2ccsc2s1)c1ocnc1C1CC1 ZINC000290177892 371924268 /nfs/dbraw/zinc/92/42/68/371924268.db2.gz RPNRRDHCFZPZJL-UHFFFAOYSA-N -1 3 291.357 3.476 20 0 CGADHM Cc1ccoc1C(=O)Nc1ccc([O-])c(COC(C)C)c1 ZINC000290700899 372041487 /nfs/dbraw/zinc/04/14/87/372041487.db2.gz VWVOOKBLIRUPON-UHFFFAOYSA-N -1 3 289.331 3.471 20 0 CGADHM O=C(Cc1ccc([O-])cc1Cl)NCCC1=CCCC1 ZINC000158175422 372057502 /nfs/dbraw/zinc/05/75/02/372057502.db2.gz DBSMAQNZRXGFBY-UHFFFAOYSA-N -1 3 279.767 3.205 20 0 CGADHM O=C([N-]c1nc2ccsc2s1)c1ncc(F)cc1F ZINC000428719542 372254061 /nfs/dbraw/zinc/25/40/61/372254061.db2.gz ITTPXDRAWWKCDQ-UHFFFAOYSA-N -1 3 297.311 3.283 20 0 CGADHM C[C@H](NCc1cccc([O-])c1Cl)[C@H](O)c1ccccc1 ZINC000292986370 372269424 /nfs/dbraw/zinc/26/94/24/372269424.db2.gz NOONPDXZKSKXAS-ZBEGNZNMSA-N -1 3 291.778 3.257 20 0 CGADHM CC(C)[C@H]1C[C@@H](NCc2cccc([O-])c2Cl)CCO1 ZINC000293334196 372357502 /nfs/dbraw/zinc/35/75/02/372357502.db2.gz RVAZSHCFTHIVON-GXTWGEPZSA-N -1 3 283.799 3.339 20 0 CGADHM [O-]c1ccc(-c2noc([C@H]3CCCOC3)n2)c2ccccc12 ZINC000293335343 372357723 /nfs/dbraw/zinc/35/77/23/372357723.db2.gz DIKHSQANUXCJNU-NSHDSACASA-N -1 3 296.326 3.489 20 0 CGADHM CCCc1nc(C)c(C(=O)[N-]c2c(F)cccc2F)o1 ZINC000293448362 372384716 /nfs/dbraw/zinc/38/47/16/372384716.db2.gz UOLHOMNLWCUPQC-UHFFFAOYSA-N -1 3 280.274 3.466 20 0 CGADHM C[C@@H](CCc1cccn1C)NCc1cccc([O-])c1Cl ZINC000293515729 372399096 /nfs/dbraw/zinc/39/90/96/372399096.db2.gz IHTDSBNQVAYVKW-LBPRGKRZSA-N -1 3 292.810 3.495 20 0 CGADHM CS[C@H]1CCC[C@H](NCc2c(F)ccc([O-])c2F)C1 ZINC000293515077 372399211 /nfs/dbraw/zinc/39/92/11/372399211.db2.gz CMNIDPVNTRSSGB-UWVGGRQHSA-N -1 3 287.375 3.434 20 0 CGADHM Cc1cnc([C@@H](C)CNCc2c(F)ccc([O-])c2F)s1 ZINC000293531990 372405313 /nfs/dbraw/zinc/40/53/13/372405313.db2.gz FAHZTGUUFZVFJD-QMMMGPOBSA-N -1 3 298.358 3.329 20 0 CGADHM C[C@@]1(CNCc2cccc([O-])c2Cl)CCCS1 ZINC000293599916 372422188 /nfs/dbraw/zinc/42/21/88/372422188.db2.gz OXHRUTVPKVYBGX-ZDUSSCGKSA-N -1 3 271.813 3.421 20 0 CGADHM CC(C)(C)CCS(=O)(=O)[N-]c1cc(F)cc(F)c1F ZINC000431152833 372436849 /nfs/dbraw/zinc/43/68/49/372436849.db2.gz WYHHRBDCVRZUDH-UHFFFAOYSA-N -1 3 295.326 3.282 20 0 CGADHM Cc1csc([N-]c2ncnc3oc(C)c(C)c32)n1 ZINC000163078639 372446231 /nfs/dbraw/zinc/44/62/31/372446231.db2.gz ASVAUEWPAGYHIV-UHFFFAOYSA-N -1 3 260.322 3.348 20 0 CGADHM C[C@@](O)(CNCc1cccc([O-])c1Cl)c1cccs1 ZINC000293679925 372447707 /nfs/dbraw/zinc/44/77/07/372447707.db2.gz VMPGVKAIYVAWHD-CQSZACIVSA-N -1 3 297.807 3.104 20 0 CGADHM COC(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2C)[n-]1 ZINC000431667702 372494854 /nfs/dbraw/zinc/49/48/54/372494854.db2.gz PWKWGMDEOFPZPZ-UHFFFAOYSA-N -1 3 292.722 3.015 20 0 CGADHM COC(=O)c1cc(C(=O)Nc2ccccc2C(C)C)c[n-]1 ZINC000431723608 372498952 /nfs/dbraw/zinc/49/89/52/372498952.db2.gz PZCVMYOBRZVWEG-UHFFFAOYSA-N -1 3 286.331 3.177 20 0 CGADHM CN(C)c1ccc(C2(C(=O)Nc3ccccc3[O-])CC2)cc1 ZINC000293886990 372513598 /nfs/dbraw/zinc/51/35/98/372513598.db2.gz UQRYXWPMQFMCIJ-UHFFFAOYSA-N -1 3 296.370 3.129 20 0 CGADHM CC(C)[C@@H]1CN(Cc2cccc([O-])c2Cl)CCCO1 ZINC000294186254 372607381 /nfs/dbraw/zinc/60/73/81/372607381.db2.gz XDMBYKKVBIIALW-AWEZNQCLSA-N -1 3 283.799 3.293 20 0 CGADHM O=C(CCC1CCOCC1)Nc1cc(Cl)ccc1[O-] ZINC000170230274 372636614 /nfs/dbraw/zinc/63/66/14/372636614.db2.gz MVSPBLDUZBJUDF-UHFFFAOYSA-N -1 3 283.755 3.191 20 0 CGADHM O=C(c1ccc(O)cc1[O-])N1CCC2(CCCCC2)CC1 ZINC000170660064 372647735 /nfs/dbraw/zinc/64/77/35/372647735.db2.gz HIWIUEZRMWBPBO-UHFFFAOYSA-N -1 3 289.375 3.284 20 0 CGADHM [O-]c1cccc(CN2C[C@@H]3CCC[C@H]3C2)c1Cl ZINC000295217180 372705957 /nfs/dbraw/zinc/70/59/57/372705957.db2.gz BHEAHQADQUJHMT-QWRGUYRKSA-N -1 3 251.757 3.278 20 0 CGADHM Cn1cc(C(=O)Nc2ccccc2[O-])c2cc(F)ccc21 ZINC000435578614 372778156 /nfs/dbraw/zinc/77/81/56/372778156.db2.gz MNZRMXMCFSOONA-UHFFFAOYSA-N -1 3 284.290 3.275 20 0 CGADHM CC[C@@H]1C[C@H]1[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000435624860 372786543 /nfs/dbraw/zinc/78/65/43/372786543.db2.gz YKHALKXFLRPEQO-VXNVDRBHSA-N -1 3 294.203 3.070 20 0 CGADHM C[C@@H]1CC[C@@H](C)N1C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436590342 372837881 /nfs/dbraw/zinc/83/78/81/372837881.db2.gz SQNAXGXXUYBKLG-VXGBXAGGSA-N -1 3 273.376 3.284 20 0 CGADHM C[C@@H]1CCN(C(=O)c2ccc3c(c2[O-])CCCC3)C[C@@H]1C ZINC000436989348 372842753 /nfs/dbraw/zinc/84/27/53/372842753.db2.gz QZUXHWMBBJITMM-OLZOCXBDSA-N -1 3 287.403 3.389 20 0 CGADHM CC(F)(F)CCCNC(=O)c1c[n-]c2ccccc2c1=O ZINC000295608168 372845596 /nfs/dbraw/zinc/84/55/96/372845596.db2.gz PSDHERHPBHXNHM-UHFFFAOYSA-N -1 3 294.301 3.106 20 0 CGADHM [O-]c1cccc(CN2CC(C3CCC3)C2)c1Cl ZINC000353458629 220096501 /nfs/dbraw/zinc/09/65/01/220096501.db2.gz DHKMKJLRCHQHBP-UHFFFAOYSA-N -1 3 251.757 3.278 20 0 CGADHM [O-]c1cccc(CN2CC[C@@H](COC(F)F)C2)c1Cl ZINC000353472304 220102419 /nfs/dbraw/zinc/10/24/19/220102419.db2.gz OKXSDHFYDITWBE-SECBINFHSA-N -1 3 291.725 3.107 20 0 CGADHM O=C([O-])CCCN1CCC[C@H]1c1ccc(Cl)cc1 ZINC000172066096 372893468 /nfs/dbraw/zinc/89/34/68/372893468.db2.gz XBKWIQMXJPDFTE-ZDUSSCGKSA-N -1 3 267.756 3.342 20 0 CGADHM [O-]c1ccc(F)c(CNCC2(C(F)(F)F)CCC2)c1F ZINC000353479260 220106742 /nfs/dbraw/zinc/10/67/42/220106742.db2.gz ARBZBGDVTVIHKH-UHFFFAOYSA-N -1 3 295.251 3.493 20 0 CGADHM CC(C)(C)C(=O)CCCc1nc(-c2ccc([O-])cc2)no1 ZINC000295794547 372914100 /nfs/dbraw/zinc/91/41/00/372914100.db2.gz DOASVLCHXDEQGF-UHFFFAOYSA-N -1 3 288.347 3.380 20 0 CGADHM COc1ccc(CSc2n[n-]c(-c3ccccn3)n2)cc1 ZINC000344783635 217311327 /nfs/dbraw/zinc/31/13/27/217311327.db2.gz YGWPUTMODISVEO-UHFFFAOYSA-N -1 3 298.371 3.168 20 0 CGADHM CC(C)=CC(=O)Nc1c(C)c(Br)ccc1[O-] ZINC000296217928 373055063 /nfs/dbraw/zinc/05/50/63/373055063.db2.gz WFMCHCWYLPHSJO-UHFFFAOYSA-N -1 3 284.153 3.368 20 0 CGADHM COc1cc(C(=O)NCC[C@@H]2CCCC[C@@H]2C)ccc1[O-] ZINC000442971519 373135093 /nfs/dbraw/zinc/13/50/93/373135093.db2.gz ZIHPERCEZSBFFS-STQMWFEESA-N -1 3 291.391 3.347 20 0 CGADHM COc1cc(C(=O)NCC[C@H]2CCCC[C@H]2C)ccc1[O-] ZINC000442971516 373135519 /nfs/dbraw/zinc/13/55/19/373135519.db2.gz ZIHPERCEZSBFFS-CHWSQXEVSA-N -1 3 291.391 3.347 20 0 CGADHM Cc1c(Br)cccc1NC([O-])=NOC(C)C ZINC000296441294 373135763 /nfs/dbraw/zinc/13/57/63/373135763.db2.gz JOFNEEZDQXFVBG-UHFFFAOYSA-N -1 3 287.157 3.219 20 0 CGADHM Cc1c(Br)cccc1NC(=O)[N-]OC(C)C ZINC000296441294 373135771 /nfs/dbraw/zinc/13/57/71/373135771.db2.gz JOFNEEZDQXFVBG-UHFFFAOYSA-N -1 3 287.157 3.219 20 0 CGADHM COc1cc(C(=O)NCC[C@H]2CCC[C@@H](C)C2)ccc1[O-] ZINC000442976799 373137483 /nfs/dbraw/zinc/13/74/83/373137483.db2.gz ULJOZLSADYMHRB-CHWSQXEVSA-N -1 3 291.391 3.347 20 0 CGADHM Cc1cc(C(=O)Nc2nc(C)ccc2[O-])c(C)n1C1CC1 ZINC000447636247 373468255 /nfs/dbraw/zinc/46/82/55/373468255.db2.gz JYNKARKCVRQZBF-UHFFFAOYSA-N -1 3 285.347 3.101 20 0 CGADHM CC[C@H](C)C(=O)Nc1cc(Br)ccc1[O-] ZINC000176440099 373597518 /nfs/dbraw/zinc/59/75/18/373597518.db2.gz HIFUOYJWCLBHGO-ZETCQYMHSA-N -1 3 272.142 3.139 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)NC1(c2ccccc2)CCC1 ZINC000448655503 373632328 /nfs/dbraw/zinc/63/23/28/373632328.db2.gz IFRXDOMEUWGEFA-UHFFFAOYSA-N -1 3 299.345 3.269 20 0 CGADHM C[C@@H](OC(C)(C)C)[C@H](NCc1ccc(Cl)cc1)C(=O)[O-] ZINC000417580906 296205245 /nfs/dbraw/zinc/20/52/45/296205245.db2.gz FDMMSDXYEILGFU-MFKMUULPSA-N -1 3 299.798 3.086 20 0 CGADHM FC(F)Cn1cc([N-]c2nc3ccccc3o2)cn1 ZINC000301320088 373745284 /nfs/dbraw/zinc/74/52/84/373745284.db2.gz ROKZIPKWXQYWFT-UHFFFAOYSA-N -1 3 264.235 3.033 20 0 CGADHM CC[C@H](C)CSc1nc(=O)cc([O-])n1C1CCCC1 ZINC000178136318 373747897 /nfs/dbraw/zinc/74/78/97/373747897.db2.gz XLDPLADTJSJZDT-JTQLQIEISA-N -1 3 282.409 3.202 20 0 CGADHM C[C@@H]1CCC[C@H](C(=O)Nc2cc(F)ccc2[O-])C1 ZINC000178326292 373766910 /nfs/dbraw/zinc/76/69/10/373766910.db2.gz DZHNDUIEGNJECI-ZJUUUORDSA-N -1 3 251.301 3.296 20 0 CGADHM CC1(C)CCC[C@@H](C(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000179063718 373833159 /nfs/dbraw/zinc/83/31/59/373833159.db2.gz GQGGBTZSSRYRHT-GFCCVEGCSA-N -1 3 279.355 3.364 20 0 CGADHM Cc1ccc(C)c(CC(=O)Nc2c(C)cccc2[O-])c1 ZINC000179542040 373883787 /nfs/dbraw/zinc/88/37/87/373883787.db2.gz BFEMBAQJWURKQD-UHFFFAOYSA-N -1 3 269.344 3.499 20 0 CGADHM [O-]c1ccc(F)c(CN2CCC[C@]3(CCSC3)C2)c1F ZINC000449734176 373860998 /nfs/dbraw/zinc/86/09/98/373860998.db2.gz RHFBJVNSYFCOSZ-HNNXBMFYSA-N -1 3 299.386 3.390 20 0 CGADHM CC(C)(CNCc1c(F)ccc([O-])c1F)C1(O)CCCC1 ZINC000449739610 373869162 /nfs/dbraw/zinc/86/91/62/373869162.db2.gz LRYOYVVFICGWAV-UHFFFAOYSA-N -1 3 299.361 3.091 20 0 CGADHM Cc1cccc([N-]S(=O)(=O)c2cccc(F)c2)c1F ZINC000180022215 373955012 /nfs/dbraw/zinc/95/50/12/373955012.db2.gz MFJBSJONGAWALW-UHFFFAOYSA-N -1 3 283.299 3.074 20 0 CGADHM CO[C@H](C)[C@H](C)[N-]c1nc(-c2cccc(Cl)c2)no1 ZINC000302613212 373905562 /nfs/dbraw/zinc/90/55/62/373905562.db2.gz CGHYKKVDYTUIGP-DTWKUNHWSA-N -1 3 281.743 3.225 20 0 CGADHM COCc1ccsc1C(=O)Nc1ccc(C)cc1[O-] ZINC000179924732 373939586 /nfs/dbraw/zinc/93/95/86/373939586.db2.gz DCMXVBSDCYMUFN-UHFFFAOYSA-N -1 3 277.345 3.161 20 0 CGADHM Cc1cnc(CCCC(=O)Nc2ccc(Cl)cc2[O-])o1 ZINC000450221279 374007089 /nfs/dbraw/zinc/00/70/89/374007089.db2.gz QKSRJBQGGDIYGY-UHFFFAOYSA-N -1 3 294.738 3.303 20 0 CGADHM Cc1ccc(C[C@@H](C)NC(=O)c2ccccc2[O-])c(C)c1 ZINC000303377007 374014782 /nfs/dbraw/zinc/01/47/82/374014782.db2.gz LPGBTHPYDIFWDM-CQSZACIVSA-N -1 3 283.371 3.370 20 0 CGADHM Cc1ccc(C(=O)NC[C@H](C)Oc2ccccc2C)c([O-])c1 ZINC000303960884 374033709 /nfs/dbraw/zinc/03/37/09/374033709.db2.gz NGRNWTIOKVFCLD-AWEZNQCLSA-N -1 3 299.370 3.206 20 0 CGADHM CCCCCSCC(=O)Nc1ccccc1[O-] ZINC000180732823 374040319 /nfs/dbraw/zinc/04/03/19/374040319.db2.gz OQFDNZXSNJHGDE-UHFFFAOYSA-N -1 3 253.367 3.254 20 0 CGADHM Cc1c([N-]c2nc3cc(C)cc(C)c3o2)cnn1C ZINC000450382177 374093587 /nfs/dbraw/zinc/09/35/87/374093587.db2.gz WRDXZTOEXIBOAN-UHFFFAOYSA-N -1 3 256.309 3.230 20 0 CGADHM CCOc1cc(F)ccc1NC(=O)c1cccc([O-])c1 ZINC000182123287 374221489 /nfs/dbraw/zinc/22/14/89/374221489.db2.gz ZZSYLRRFVQDECK-UHFFFAOYSA-N -1 3 275.279 3.182 20 0 CGADHM COc1ccccc1CCC[S@@](=O)c1ccc([O-])cc1 ZINC000182470271 374277678 /nfs/dbraw/zinc/27/76/78/374277678.db2.gz RNQYNTYYYJEIMT-HXUWFJFHSA-N -1 3 290.384 3.141 20 0 CGADHM O=C(CCCc1ccc([O-])c(F)c1)NCC1=CCCCC1 ZINC000452290870 374316631 /nfs/dbraw/zinc/31/66/31/374316631.db2.gz JIBRYWXESDRRSN-UHFFFAOYSA-N -1 3 291.366 3.471 20 0 CGADHM O=C([O-])[C@H](NCc1cccc2cccnc21)c1ccccc1 ZINC000315600886 374331042 /nfs/dbraw/zinc/33/10/42/374331042.db2.gz POCPYHRZTHYAGE-QGZVFWFLSA-N -1 3 292.338 3.150 20 0 CGADHM Cc1cccc([O-])c1NC(=O)CCSc1ccccn1 ZINC000183044245 374360934 /nfs/dbraw/zinc/36/09/34/374360934.db2.gz XJNIOSWWJMWUCX-UHFFFAOYSA-N -1 3 288.372 3.217 20 0 CGADHM [O-]c1cccc(CNCCC(F)(F)F)c1Cl ZINC000328272476 374363583 /nfs/dbraw/zinc/36/35/83/374363583.db2.gz XFVKLACFFMKNOH-UHFFFAOYSA-N -1 3 253.651 3.088 20 0 CGADHM Cc1cc(C)c([N-]S(=O)(=O)c2cccnc2)c(Cl)c1 ZINC000082339745 541928982 /nfs/dbraw/zinc/92/89/82/541928982.db2.gz LCBZNWBTVRUSRT-UHFFFAOYSA-N -1 3 296.779 3.153 20 0 CGADHM Cc1ccc(C(=O)NCC(C)(C)c2ccccn2)c([O-])c1C ZINC000452391187 374352087 /nfs/dbraw/zinc/35/20/87/374352087.db2.gz QIZPTNHYRFZICX-UHFFFAOYSA-N -1 3 298.386 3.112 20 0 CGADHM CC(C)(C)CCN1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000087612465 541944490 /nfs/dbraw/zinc/94/44/90/541944490.db2.gz SYAPBIHTFAPLBK-AWEZNQCLSA-N -1 3 261.365 3.107 20 0 CGADHM O=[S@@](CCc1ccccc1Cl)c1cccc([O-])c1 ZINC000184068776 374489140 /nfs/dbraw/zinc/48/91/40/374489140.db2.gz JQVLHYBMAZTXLK-SFHVURJKSA-N -1 3 280.776 3.396 20 0 CGADHM CC(C)(C)c1noc(Cc2ccc([O-])cc2Cl)n1 ZINC000331172864 374510467 /nfs/dbraw/zinc/51/04/67/374510467.db2.gz ZXFGFSMFHLMDBH-UHFFFAOYSA-N -1 3 266.728 3.317 20 0 CGADHM CC(=O)c1ccc(C(=O)N(C)C2CCC(C)CC2)cc1[O-] ZINC000331228556 374514127 /nfs/dbraw/zinc/51/41/27/374514127.db2.gz FTKSHHGKDFDSIE-UHFFFAOYSA-N -1 3 289.375 3.246 20 0 CGADHM Cc1cc(C(=O)N2C[C@@H](C(C)C)[C@H]2C(C)C)ccc1[O-] ZINC000456324962 374514691 /nfs/dbraw/zinc/51/46/91/374514691.db2.gz HYTPQVHXAGMBMI-GOEBONIOSA-N -1 3 275.392 3.453 20 0 CGADHM CC[C@]1(C)CCCN(C(=O)c2ccc(C(C)=O)c([O-])c2)C1 ZINC000331231712 374517056 /nfs/dbraw/zinc/51/70/56/374517056.db2.gz IOJJYGQEWLYODK-QGZVFWFLSA-N -1 3 289.375 3.247 20 0 CGADHM C/C(=C\C(C)(C)C)C(=O)NCc1ccc([O-])c(F)c1 ZINC000184988803 374574886 /nfs/dbraw/zinc/57/48/86/374574886.db2.gz JLPJDLRZIBGSPU-CSKARUKUSA-N -1 3 265.328 3.140 20 0 CGADHM C[C@@H](C1CC1)N(C)C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000185052157 374581250 /nfs/dbraw/zinc/58/12/50/374581250.db2.gz KRNQAUGAYAMJKQ-NSHDSACASA-N -1 3 273.376 3.142 20 0 CGADHM COc1ccc(NC(=O)c2cc(F)ccc2Cl)c([O-])c1 ZINC000334225896 206218834 /nfs/dbraw/zinc/21/88/34/206218834.db2.gz DYHMPRRJTORYMF-UHFFFAOYSA-N -1 3 295.697 3.446 20 0 CGADHM C[C@@H](C1CC1)n1nccc1NCc1cc([O-])cc(F)c1 ZINC000185510471 374678346 /nfs/dbraw/zinc/67/83/46/374678346.db2.gz IWCDCECAMNHZNK-JTQLQIEISA-N -1 3 275.327 3.311 20 0 CGADHM CCCN(CC(F)F)C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000185705884 374718781 /nfs/dbraw/zinc/71/87/81/374718781.db2.gz UUZVVFBUTHCFBR-UHFFFAOYSA-N -1 3 297.345 3.388 20 0 CGADHM C[C@@H](c1cccc(O)c1)N(C)Cc1cc([O-])cc(F)c1 ZINC000186222487 374817257 /nfs/dbraw/zinc/81/72/57/374817257.db2.gz AKKFZWDXEOVBQQ-NSHDSACASA-N -1 3 275.323 3.430 20 0 CGADHM C[C@@H](C(=O)Nc1ccc(Cl)cc1[O-])C1CCOCC1 ZINC000334462848 374772113 /nfs/dbraw/zinc/77/21/13/374772113.db2.gz QTYMHBFBVXIJLS-SECBINFHSA-N -1 3 283.755 3.047 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)[C@H]2CCC(=O)[C@H](C)C2)c1[O-] ZINC000334537283 374834147 /nfs/dbraw/zinc/83/41/47/374834147.db2.gz ITPMRDJOCWTQBB-SCZZXKLOSA-N -1 3 295.766 3.298 20 0 CGADHM COc1cccc2c1[C@@H](C(=O)Nc1ccccc1[O-])CC2 ZINC000334637995 374930932 /nfs/dbraw/zinc/93/09/32/374930932.db2.gz RFKALVYBIPATNV-LBPRGKRZSA-N -1 3 283.327 3.069 20 0 CGADHM CC1(C)CCC[C@H](NC(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC000334650110 374941812 /nfs/dbraw/zinc/94/18/12/374941812.db2.gz DMWIHIJKEIRANI-LBPRGKRZSA-N -1 3 298.386 3.227 20 0 CGADHM C[C@@H]1CCCCN(C(=O)Cc2ccc([O-])cc2Cl)C1 ZINC000187100360 374971064 /nfs/dbraw/zinc/97/10/64/374971064.db2.gz DONBGSKORXDAPK-LLVKDONJSA-N -1 3 281.783 3.237 20 0 CGADHM CC(C)(C)[C@@H]1CCCN(C(=O)c2csc(=O)[n-]2)CC1 ZINC000334698063 374984457 /nfs/dbraw/zinc/98/44/57/374984457.db2.gz JCWNTXUWPYNEBL-SNVBAGLBSA-N -1 3 282.409 3.137 20 0 CGADHM CCc1ccc(C(=O)N2CCC[C@H]3CCC[C@@H]32)c([O-])c1 ZINC000187846686 375105623 /nfs/dbraw/zinc/10/56/23/375105623.db2.gz UWCRBSQDIFXFHD-HIFRSBDPSA-N -1 3 273.376 3.359 20 0 CGADHM CC(C)c1ccc(C(=O)Nc2cccc([O-])c2F)nc1 ZINC000335186293 375209871 /nfs/dbraw/zinc/20/98/71/375209871.db2.gz RMGKSBKTOABAJE-UHFFFAOYSA-N -1 3 274.295 3.302 20 0 CGADHM C[C@H](CC(F)(F)F)C(=O)N1CCCc2cccc([O-])c21 ZINC000335579281 375331863 /nfs/dbraw/zinc/33/18/63/375331863.db2.gz FBMIFUBXGIQOAD-SECBINFHSA-N -1 3 287.281 3.260 20 0 CGADHM CCc1ccc(-c2nc(-c3ccnc(OC)c3)no2)c([O-])c1 ZINC000189182619 375336934 /nfs/dbraw/zinc/33/69/34/375336934.db2.gz SZHSYPZYTWBWKT-UHFFFAOYSA-N -1 3 297.314 3.075 20 0 CGADHM O=C(/C=C/c1ccc[nH]1)Nc1ccc(Cl)cc1[O-] ZINC000491981556 375385704 /nfs/dbraw/zinc/38/57/04/375385704.db2.gz WSPYCQLUWCYDCC-GQCTYLIASA-N -1 3 262.696 3.026 20 0 CGADHM C[C@H](c1ccc(F)cc1)[S@@](=O)c1cccc([O-])c1 ZINC000335831286 375466660 /nfs/dbraw/zinc/46/66/60/375466660.db2.gz NFFLLTBJGSUORL-MLCYQJTMSA-N -1 3 264.321 3.400 20 0 CGADHM COc1cc(F)c(F)cc1NC(=O)c1ccc([O-])c(C)c1 ZINC000335768826 375414860 /nfs/dbraw/zinc/41/48/60/375414860.db2.gz AFOGNPVINIAZQE-UHFFFAOYSA-N -1 3 293.269 3.240 20 0 CGADHM CCc1ccc(C(=O)N2CC=C(C(F)(F)F)CC2)c([O-])c1 ZINC000335773006 375418562 /nfs/dbraw/zinc/41/85/62/375418562.db2.gz NJRVBBWVOCFBLN-UHFFFAOYSA-N -1 3 299.292 3.289 20 0 CGADHM Cc1ccc([C@H](C)N(C)C(=O)c2csc(=O)[n-]2)c(C)c1 ZINC000335784387 375428399 /nfs/dbraw/zinc/42/83/99/375428399.db2.gz BYOCFBQAEVWBFE-NSHDSACASA-N -1 3 290.388 3.299 20 0 CGADHM CCC[C@@H](NC(=O)c1cccc2nn[n-]c21)c1ccccc1 ZINC000189696910 375436601 /nfs/dbraw/zinc/43/66/01/375436601.db2.gz GMKVAJLYJHMBHR-CQSZACIVSA-N -1 3 294.358 3.229 20 0 CGADHM CCC[C@@H](NC(=O)c1cccc2[n-]nnc21)c1ccccc1 ZINC000189696910 375436611 /nfs/dbraw/zinc/43/66/11/375436611.db2.gz GMKVAJLYJHMBHR-CQSZACIVSA-N -1 3 294.358 3.229 20 0 CGADHM CCC[C@@H](NC(=O)c1cccc2n[n-]nc21)c1ccccc1 ZINC000189696910 375436617 /nfs/dbraw/zinc/43/66/17/375436617.db2.gz GMKVAJLYJHMBHR-CQSZACIVSA-N -1 3 294.358 3.229 20 0 CGADHM CCOC([O-])=NOCC1CCC(C(F)(F)F)CC1 ZINC000496644082 375546106 /nfs/dbraw/zinc/54/61/06/375546106.db2.gz VLUSVHUMFCMVBO-UHFFFAOYSA-N -1 3 269.263 3.033 20 0 CGADHM CCOC(=O)[N-]OCC1CCC(C(F)(F)F)CC1 ZINC000496644082 375546110 /nfs/dbraw/zinc/54/61/10/375546110.db2.gz VLUSVHUMFCMVBO-UHFFFAOYSA-N -1 3 269.263 3.033 20 0 CGADHM O=[S@](C[C@@H]1CCCC(F)(F)C1)c1ccc([O-])cc1 ZINC000335921973 375542128 /nfs/dbraw/zinc/54/21/28/375542128.db2.gz MXFJIZWKZGLKFF-MLCYQJTMSA-N -1 3 274.332 3.325 20 0 CGADHM CCCCOc1ccc(C(=O)N(C)CC2CCC2)c([O-])c1 ZINC000190370381 375500823 /nfs/dbraw/zinc/50/08/23/375500823.db2.gz SROPGKGMFKLVJE-UHFFFAOYSA-N -1 3 291.391 3.443 20 0 CGADHM CCN(Cc1ccsc1C(=O)[O-])Cc1ccccc1 ZINC000110955291 542002284 /nfs/dbraw/zinc/00/22/84/542002284.db2.gz HHAXVTQSFARXEO-UHFFFAOYSA-N -1 3 275.373 3.468 20 0 CGADHM Cc1nc(CC(C)C)oc1C(=O)Nc1cc(F)ccc1[O-] ZINC000190894250 375547277 /nfs/dbraw/zinc/54/72/77/375547277.db2.gz VKWLLUVEZLKXHS-UHFFFAOYSA-N -1 3 292.310 3.279 20 0 CGADHM Cc1cccc([O-])c1NC(=O)[C@H]1CC2CCC1CC2 ZINC000497156799 375582218 /nfs/dbraw/zinc/58/22/18/375582218.db2.gz BCVLSPVCSBYYHI-BPCQOVAHSA-N -1 3 259.349 3.465 20 0 CGADHM C[C@@H](c1ccccc1Cl)N(C)C(=O)c1csc(=O)[n-]1 ZINC000336054289 375649397 /nfs/dbraw/zinc/64/93/97/375649397.db2.gz SRXVFYZTAKROOS-QMMMGPOBSA-N -1 3 296.779 3.335 20 0 CGADHM CSc1ccccc1[N-]C(=O)c1cn(C(C)(C)C)nn1 ZINC000191667002 375649651 /nfs/dbraw/zinc/64/96/51/375649651.db2.gz HCLJLBIPSDXYJA-UHFFFAOYSA-N -1 3 290.392 3.007 20 0 CGADHM COCc1ccc(S[C@H](C)c2nc(C)cc(=O)[n-]2)cc1 ZINC000121722723 542020501 /nfs/dbraw/zinc/02/05/01/542020501.db2.gz ZDRCRIXGZWIESM-LLVKDONJSA-N -1 3 290.388 3.490 20 0 CGADHM CC(C)[C@H]1CCCN1Cc1c(F)ccc([O-])c1F ZINC000507222836 375688408 /nfs/dbraw/zinc/68/84/08/375688408.db2.gz WSMAHRXAJLTBFW-GFCCVEGCSA-N -1 3 255.308 3.291 20 0 CGADHM CC1=C(c2ccco2)CN(C(=O)c2ccc(O)cc2[O-])CC1 ZINC000336143791 375721630 /nfs/dbraw/zinc/72/16/30/375721630.db2.gz UBEZEBWWHIBCRJ-UHFFFAOYSA-N -1 3 299.326 3.010 20 0 CGADHM CCc1cc([N-]S(=O)(=O)c2ccccc2C)ccc1F ZINC000507612781 375717088 /nfs/dbraw/zinc/71/70/88/375717088.db2.gz ISRMUMDIJRNXFV-UHFFFAOYSA-N -1 3 293.363 3.497 20 0 CGADHM COc1cccc(C(=O)N(C)[C@H]2CCC(C)(C)C2)c1[O-] ZINC000336158154 375735451 /nfs/dbraw/zinc/73/54/51/375735451.db2.gz ZXPMNXAQKDUEBO-NSHDSACASA-N -1 3 277.364 3.052 20 0 CGADHM CC(C)[C@H]1CCN(Cc2c(F)ccc([O-])c2F)C1 ZINC000509039317 375769237 /nfs/dbraw/zinc/76/92/37/375769237.db2.gz OOSKEOAGBZVJBP-JTQLQIEISA-N -1 3 255.308 3.148 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2cnc3ccccc3c2C)n1 ZINC000345950612 217758867 /nfs/dbraw/zinc/75/88/67/217758867.db2.gz YIQHHVCURWOTSU-UHFFFAOYSA-N -1 3 293.326 3.205 20 0 CGADHM Cc1cccc([O-])c1NC(=O)c1ccc(N(C)C)c(F)c1 ZINC000336534906 375813093 /nfs/dbraw/zinc/81/30/93/375813093.db2.gz HQMJUZAUDSRPCA-UHFFFAOYSA-N -1 3 288.322 3.158 20 0 CGADHM CCc1nc(C(=O)Nc2cc(Cl)ccc2[O-])c(C)o1 ZINC000334270570 206287702 /nfs/dbraw/zinc/28/77/02/206287702.db2.gz FSPYTNRIFORBCZ-UHFFFAOYSA-N -1 3 280.711 3.157 20 0 CGADHM C[C@H](NC(=O)c1ccc(O)cc1[O-])c1ccc(Cl)s1 ZINC000193295668 375854095 /nfs/dbraw/zinc/85/40/95/375854095.db2.gz ZSPKZSJHFATCTB-ZETCQYMHSA-N -1 3 297.763 3.304 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2ccccc2C(F)(F)F)n1 ZINC000336590032 375857619 /nfs/dbraw/zinc/85/76/19/375857619.db2.gz SSXCOPUGJUPMMJ-UHFFFAOYSA-N -1 3 296.248 3.367 20 0 CGADHM [O-]c1cccc(CN2CCC[C@@H]3COCC[C@H]32)c1Cl ZINC000336613969 375876129 /nfs/dbraw/zinc/87/61/29/375876129.db2.gz NXHBGXXKNVRTAK-CHWSQXEVSA-N -1 3 281.783 3.047 20 0 CGADHM CC(C)(NC(=O)c1cccc([O-])c1)c1ccccc1 ZINC000336809950 375960902 /nfs/dbraw/zinc/96/09/02/375960902.db2.gz XOQQISCHWADLPP-UHFFFAOYSA-N -1 3 255.317 3.057 20 0 CGADHM C[C@H]1CCCC[C@H]1CNC(=O)c1c[n-]c2ccccc2c1=O ZINC000194360217 375991624 /nfs/dbraw/zinc/99/16/24/375991624.db2.gz JOINNKQVGMGGDV-STQMWFEESA-N -1 3 298.386 3.084 20 0 CGADHM O=C(N=c1cc(-c2ccccc2)o[n-]1)c1ccoc1C1CC1 ZINC000336969366 376044092 /nfs/dbraw/zinc/04/40/92/376044092.db2.gz JLPICWVFTIKFIK-UHFFFAOYSA-N -1 3 294.310 3.486 20 0 CGADHM Cc1ccc(-c2cc(C(=O)Nc3cccc(F)c3)n[n-]2)o1 ZINC000195601285 376113302 /nfs/dbraw/zinc/11/33/02/376113302.db2.gz ZEBKIQWHNZJMGS-UHFFFAOYSA-N -1 3 285.278 3.370 20 0 CGADHM Cc1ccc(-c2cc(C(=O)Nc3cccc(F)c3)[n-]n2)o1 ZINC000195601285 376113309 /nfs/dbraw/zinc/11/33/09/376113309.db2.gz ZEBKIQWHNZJMGS-UHFFFAOYSA-N -1 3 285.278 3.370 20 0 CGADHM CCC[C@H]1CCCCN1Cc1cc(C)c(C(=O)[O-])o1 ZINC000213410062 376140677 /nfs/dbraw/zinc/14/06/77/376140677.db2.gz UMQZBALBSNXSIJ-LBPRGKRZSA-N -1 3 265.353 3.441 20 0 CGADHM Cc1ccc(CNCc2cc([O-])cc(F)c2)s1 ZINC000223124194 376245755 /nfs/dbraw/zinc/24/57/55/376245755.db2.gz OFQMOKZDKXOJHI-UHFFFAOYSA-N -1 3 251.326 3.191 20 0 CGADHM O=C([N-]c1cccc(F)c1F)c1nc2cccnc2s1 ZINC000338162130 376272104 /nfs/dbraw/zinc/27/21/04/376272104.db2.gz ZGFUFDYGKJDMPD-UHFFFAOYSA-N -1 3 291.282 3.222 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2cccc(COC)c2)c1 ZINC000539848229 376341843 /nfs/dbraw/zinc/34/18/43/376341843.db2.gz UOXFEPKYQCFPKE-UHFFFAOYSA-N -1 3 285.343 3.353 20 0 CGADHM CCn1c(=O)[n-]nc1SC[C@H](C)C1CCCCC1 ZINC000338523794 376409156 /nfs/dbraw/zinc/40/91/56/376409156.db2.gz ATGHFRHGLJABBE-JTQLQIEISA-N -1 3 269.414 3.312 20 0 CGADHM Cc1cc(C(=O)Nc2c(C)cccc2F)ccc1[O-] ZINC000227059969 376378723 /nfs/dbraw/zinc/37/87/23/376378723.db2.gz IVNJDHIAMOLTGH-UHFFFAOYSA-N -1 3 259.280 3.400 20 0 CGADHM Cc1ccc([O-])c(NC(=O)CCc2cccc(Cl)c2)n1 ZINC000541533691 376453606 /nfs/dbraw/zinc/45/36/06/376453606.db2.gz GZPPVXKRKHKHDO-UHFFFAOYSA-N -1 3 290.750 3.320 20 0 CGADHM CN(Cc1ccoc1)C(=O)c1cc([O-])ccc1C(F)(F)F ZINC000338767103 376519274 /nfs/dbraw/zinc/51/92/74/376519274.db2.gz ALHYCGBZZWGYCW-UHFFFAOYSA-N -1 3 299.248 3.276 20 0 CGADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2ccncc2Cl)C1 ZINC000135032526 542084843 /nfs/dbraw/zinc/08/48/43/542084843.db2.gz IEXBNZHXNGDTQL-GFCCVEGCSA-N -1 3 296.798 3.058 20 0 CGADHM CCCC[C@@H]1CCC[C@@H]1NC(=O)c1cccc2nn[n-]c21 ZINC000542821265 376581745 /nfs/dbraw/zinc/58/17/45/376581745.db2.gz PPDSFHOBRROTEU-YPMHNXCESA-N -1 3 286.379 3.047 20 0 CGADHM CCCC[C@@H]1CCC[C@@H]1NC(=O)c1cccc2[n-]nnc21 ZINC000542821265 376581752 /nfs/dbraw/zinc/58/17/52/376581752.db2.gz PPDSFHOBRROTEU-YPMHNXCESA-N -1 3 286.379 3.047 20 0 CGADHM CCCC[C@@H]1CCC[C@@H]1NC(=O)c1cccc2n[n-]nc21 ZINC000542821265 376581757 /nfs/dbraw/zinc/58/17/57/376581757.db2.gz PPDSFHOBRROTEU-YPMHNXCESA-N -1 3 286.379 3.047 20 0 CGADHM C[C@H]1CCN(C(=O)c2cc([O-])ccc2Cl)C[C@H]1C ZINC000235635761 376645410 /nfs/dbraw/zinc/64/54/10/376645410.db2.gz KHKVPFOVHVYHRW-VHSXEESVSA-N -1 3 267.756 3.164 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-][C@H](C)c2ccccc2Cl)o1 ZINC000339084467 376669944 /nfs/dbraw/zinc/66/99/44/376669944.db2.gz JOPSSLPUZWHCJU-SNVBAGLBSA-N -1 3 299.779 3.281 20 0 CGADHM Cc1nc(NC(=O)c2cc([O-])ccc2Cl)sc1C ZINC000235940303 376655782 /nfs/dbraw/zinc/65/57/82/376655782.db2.gz AYACZMNTXQRPQO-UHFFFAOYSA-N -1 3 282.752 3.371 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2cc(Br)cs2)n1 ZINC000339116355 376689681 /nfs/dbraw/zinc/68/96/81/376689681.db2.gz MEULDOWZOBJFKE-NSCUHMNNSA-N -1 3 297.177 3.485 20 0 CGADHM COc1ccc(NC(=O)c2cccc3c2ccn3C)c([O-])c1 ZINC000135431470 542086986 /nfs/dbraw/zinc/08/69/86/542086986.db2.gz CVNVRUBSZBIHOJ-UHFFFAOYSA-N -1 3 296.326 3.145 20 0 CGADHM O=C(Nc1ncccc1[O-])[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000339658155 376790597 /nfs/dbraw/zinc/79/05/97/376790597.db2.gz QBKPWYSMPPZYBR-FRRDWIJNSA-N -1 3 274.364 3.332 20 0 CGADHM C[C@H](C(=O)Nc1cc(Cl)ccc1[O-])N1[C@H](C)CC[C@H]1C ZINC000245202813 376801148 /nfs/dbraw/zinc/80/11/48/376801148.db2.gz VZLUFHXZJXDXFF-GMTAPVOTSA-N -1 3 296.798 3.245 20 0 CGADHM Cc1ccc(CC(=O)N2CC[C@H](C)c3cccc([O-])c32)o1 ZINC000545245774 376802206 /nfs/dbraw/zinc/80/22/06/376802206.db2.gz FDYMJSAJYWVGSE-NSHDSACASA-N -1 3 285.343 3.377 20 0 CGADHM Cc1coc(C)c1C(=O)N=c1cc(-c2ccccc2C)[n-][nH]1 ZINC000340006240 376892589 /nfs/dbraw/zinc/89/25/89/376892589.db2.gz ZGPAOXMNTQHCCU-UHFFFAOYSA-N -1 3 295.342 3.269 20 0 CGADHM CCc1cc(C(=O)NCCCNc2ccccc2)ccc1[O-] ZINC000557596761 376946217 /nfs/dbraw/zinc/94/62/17/376946217.db2.gz VONZBZWQZUAUJL-UHFFFAOYSA-N -1 3 298.386 3.187 20 0 CGADHM CCOc1ccc(F)c([N-]C(=O)c2c(C)noc2C)c1F ZINC000340431663 377053114 /nfs/dbraw/zinc/05/31/14/377053114.db2.gz VLOPVRXKOTZIHR-UHFFFAOYSA-N -1 3 296.273 3.221 20 0 CGADHM CCCO[C@@H]1CCCN(Cc2cc(C(=O)[O-])c(C)o2)CC1 ZINC000563280674 377435427 /nfs/dbraw/zinc/43/54/27/377435427.db2.gz ZXQMOVZYVBDFQO-CYBMUJFWSA-N -1 3 295.379 3.067 20 0 CGADHM C[C@H]1CC(NC(=O)c2c[n-]c3ccccc3c2=O)C[C@@H](C)C1 ZINC000172595071 249048133 /nfs/dbraw/zinc/04/81/33/249048133.db2.gz NVGNBNVCZOPAAR-FUNVUKJBSA-N -1 3 298.386 3.083 20 0 CGADHM [O-]c1cccc(CN[C@H]2CC=CCC2)c1Br ZINC000315158325 249098508 /nfs/dbraw/zinc/09/85/08/249098508.db2.gz UPUVHBMRDLKDHB-NSHDSACASA-N -1 3 282.181 3.353 20 0 CGADHM CC(C)c1noc([N-][C@H]2CCc3cc(F)ccc32)n1 ZINC000265618266 190194437 /nfs/dbraw/zinc/19/44/37/190194437.db2.gz MQIPJVXXDVVRJW-LBPRGKRZSA-N -1 3 261.300 3.432 20 0 CGADHM O=C([O-])c1occc1CN(CCC(F)(F)F)CC1CC1 ZINC000516932139 249250368 /nfs/dbraw/zinc/25/03/68/249250368.db2.gz CPDIQMDFMYLXCO-UHFFFAOYSA-N -1 3 291.269 3.142 20 0 CGADHM C[C@@H](c1noc(-c2n[n-]nc2-c2ccccc2)n1)C1CC1 ZINC000518006038 249274948 /nfs/dbraw/zinc/27/49/48/249274948.db2.gz OCCAGFJNGXSYNS-SECBINFHSA-N -1 3 281.319 3.035 20 0 CGADHM Cc1ccc2[n-]cc(C(=O)N3CCCCC[C@@H]3C)c(=O)c2c1 ZINC000341803515 377618235 /nfs/dbraw/zinc/61/82/35/377618235.db2.gz IRAMRDXSKOZRIV-ZDUSSCGKSA-N -1 3 298.386 3.241 20 0 CGADHM [O-]c1ccc(-c2noc(Cc3ccc4c(c3)COC4)n2)cc1 ZINC000574203158 377634422 /nfs/dbraw/zinc/63/44/22/377634422.db2.gz SQDNTDJNFFTANV-UHFFFAOYSA-N -1 3 294.310 3.063 20 0 CGADHM CC1C[C@H]2CC[C@@H](C1)N2Cc1ccc(C(=O)[O-])cc1F ZINC000574340603 377652889 /nfs/dbraw/zinc/65/28/89/377652889.db2.gz MKSNNUMIAIXGEM-FTNCPSPGSA-N -1 3 277.339 3.287 20 0 CGADHM Cc1ccc2[n-]cc(C(=O)N(C)[C@H](C)C3CCC3)c(=O)c2c1 ZINC000342578171 377671337 /nfs/dbraw/zinc/67/13/37/377671337.db2.gz WSXOXTBXJYZXNK-GFCCVEGCSA-N -1 3 298.386 3.097 20 0 CGADHM CC/C=C/CCSCc1nc(CC)cc(=O)[n-]1 ZINC000342730456 377760982 /nfs/dbraw/zinc/76/09/82/377760982.db2.gz GXKPLBFZAUWRCI-AATRIKPKSA-N -1 3 252.383 3.334 20 0 CGADHM Cc1ccc(/C=C\C(=O)Nc2cc(F)ccc2[O-])o1 ZINC000255619389 377770797 /nfs/dbraw/zinc/77/07/97/377770797.db2.gz YYBKJKDPBVTKIU-ALCCZGGFSA-N -1 3 261.252 3.085 20 0 CGADHM CCc1cccc(NC(=O)/C=C\c2cncc([O-])c2)c1 ZINC000255696257 377775001 /nfs/dbraw/zinc/77/50/01/377775001.db2.gz BNMVOWXECCDKOP-SREVYHEPSA-N -1 3 268.316 3.002 20 0 CGADHM CCC[C@H](C(=O)[O-])N1CCc2sc(Cl)cc2C1 ZINC000564803253 322043994 /nfs/dbraw/zinc/04/39/94/322043994.db2.gz QGOZCWKXGZILMC-SECBINFHSA-N -1 3 273.785 3.013 20 0 CGADHM C[C@H](CN1C[C@@H](C(=O)[O-])CC[C@H]1C)c1cc(F)cc(F)c1 ZINC000263116367 377919121 /nfs/dbraw/zinc/91/91/21/377919121.db2.gz ZVRZWMSGBQLRFN-UTUOFQBUSA-N -1 3 297.345 3.253 20 0 CGADHM COc1cc(-c2ccccc2)ccc1CN(C)CCC(=O)[O-] ZINC000263395991 377931876 /nfs/dbraw/zinc/93/18/76/377931876.db2.gz GOPRAEIRLHKQRY-UHFFFAOYSA-N -1 3 299.370 3.269 20 0 CGADHM CC[C@@H](NCc1ncccc1[O-])c1cc(F)ccc1F ZINC000577782785 378011883 /nfs/dbraw/zinc/01/18/83/378011883.db2.gz MZDIZMMKWJTTHT-CYBMUJFWSA-N -1 3 278.302 3.306 20 0 CGADHM CN(Cc1cc(C(=O)[O-])co1)[C@H]1CCCc2ccccc21 ZINC000575928863 378001253 /nfs/dbraw/zinc/00/12/53/378001253.db2.gz AWDZSBHRLKKJAQ-INIZCTEOSA-N -1 3 285.343 3.487 20 0 CGADHM Cc1nn(C(C)C)cc1C(=O)Nc1c(C)cccc1[O-] ZINC000578548635 378080347 /nfs/dbraw/zinc/08/03/47/378080347.db2.gz YTPUAIZLIFUPBS-UHFFFAOYSA-N -1 3 273.336 3.039 20 0 CGADHM CCC1(CC)[C@H](OC)C[C@H]1N(C)Cc1ccoc1C(=O)[O-] ZINC000579016418 378122167 /nfs/dbraw/zinc/12/21/67/378122167.db2.gz SBNSHQKRNJWOQC-CHWSQXEVSA-N -1 3 295.379 3.003 20 0 CGADHM CCN(Cc1nc2ccccc2c(C)c1C(=O)[O-])C1CC1 ZINC000578660526 378090430 /nfs/dbraw/zinc/09/04/30/378090430.db2.gz KQUOOYXHKFXQSK-UHFFFAOYSA-N -1 3 284.359 3.226 20 0 CGADHM CC(C)c1ccc(C(=O)N[C@@H](C)C2CCOCC2)c([O-])c1 ZINC000268773960 378108028 /nfs/dbraw/zinc/10/80/28/378108028.db2.gz YZHMONGLNNAMGF-LBPRGKRZSA-N -1 3 291.391 3.061 20 0 CGADHM C[C@@H](c1ccc(F)cc1F)N1C[C@@H](C)[C@@](C)(C(=O)[O-])C1 ZINC000579848061 378201862 /nfs/dbraw/zinc/20/18/62/378201862.db2.gz LJAOKKCAHMFUJL-FTGAXOIBSA-N -1 3 283.318 3.068 20 0 CGADHM [O-]c1ccc(Br)c(CN2CCC[C@@H](F)C2)c1 ZINC000579967455 378213116 /nfs/dbraw/zinc/21/31/16/378213116.db2.gz KISNDVGHMHQOIS-SNVBAGLBSA-N -1 3 288.160 3.089 20 0 CGADHM CCS[C@@H]1CC[C@@H](N(C)Cc2cc(C(=O)[O-])c(C)o2)C1 ZINC000579484557 378165648 /nfs/dbraw/zinc/16/56/48/378165648.db2.gz PTKYOQPMYVUNCL-DGCLKSJQSA-N -1 3 297.420 3.392 20 0 CGADHM CC[C@@H]1CCCC[C@@H]1OCC(=O)Nc1nc(C)ccc1[O-] ZINC000345399561 378276062 /nfs/dbraw/zinc/27/60/62/378276062.db2.gz ACSMJLHHPZONRL-OCCSQVGLSA-N -1 3 292.379 3.020 20 0 CGADHM CC(C)(CC(F)F)C(=O)Nc1cccc([O-])c1F ZINC000580167688 378229510 /nfs/dbraw/zinc/22/95/10/378229510.db2.gz STENDSSSMWCIMX-UHFFFAOYSA-N -1 3 261.243 3.151 20 0 CGADHM CCS[C@@H]1CC[C@H](N(C)Cc2ccc(C(=O)[O-])o2)C1 ZINC000583267821 378316082 /nfs/dbraw/zinc/31/60/82/378316082.db2.gz HSTSTPIDOQFJIP-CMPLNLGQSA-N -1 3 283.393 3.084 20 0 CGADHM Cc1ccc(-c2cc(-c3nc(-c4cccnc4)no3)n[n-]2)o1 ZINC000345714469 378351832 /nfs/dbraw/zinc/35/18/32/378351832.db2.gz VTAKBOSORJAYRK-UHFFFAOYSA-N -1 3 293.286 3.090 20 0 CGADHM Cc1ccc(-c2cc(-c3nc(-c4cccnc4)no3)[n-]n2)o1 ZINC000345714469 378351834 /nfs/dbraw/zinc/35/18/34/378351834.db2.gz VTAKBOSORJAYRK-UHFFFAOYSA-N -1 3 293.286 3.090 20 0 CGADHM Cc1ccc([O-])c(NC(=O)C[C@H](C)C(C)(C)C)n1 ZINC000345919378 378407850 /nfs/dbraw/zinc/40/78/50/378407850.db2.gz BMJRPVBXOJYSFK-VIFPVBQESA-N -1 3 250.342 3.106 20 0 CGADHM Cc1ccc(C[C@@H](C)C(=O)Nc2nc(C)ccc2[O-])cc1 ZINC000345926580 378410832 /nfs/dbraw/zinc/41/08/32/378410832.db2.gz LWJOBKQHOYQWEX-GFCCVEGCSA-N -1 3 284.359 3.221 20 0 CGADHM O=C([O-])[C@H](c1ccc(F)cc1)N1CCc2ccsc2C1 ZINC000584474701 378387697 /nfs/dbraw/zinc/38/76/97/378387697.db2.gz FAHLDAPSSGUVDH-AWEZNQCLSA-N -1 3 291.347 3.071 20 0 CGADHM Cc1ccc2cc(C(=O)Nc3nc(C)ccc3[O-])[nH]c2c1 ZINC000345975291 378427029 /nfs/dbraw/zinc/42/70/29/378427029.db2.gz FYMUDNRQQYWNFO-UHFFFAOYSA-N -1 3 281.315 3.138 20 0 CGADHM Cc1ccc([O-])c(NC(=O)CCc2ccc3[nH]ccc3c2)n1 ZINC000345990395 378432486 /nfs/dbraw/zinc/43/24/86/378432486.db2.gz QBLALXGFXQNSSC-UHFFFAOYSA-N -1 3 295.342 3.148 20 0 CGADHM Cc1ccc(C(=O)N2CCCC[C@H]2c2ncc[nH]2)c([O-])c1C ZINC000271230898 378485489 /nfs/dbraw/zinc/48/54/89/378485489.db2.gz FSMVAZUJMKHZOD-AWEZNQCLSA-N -1 3 299.374 3.100 20 0 CGADHM CC[C@@H]1CC[C@@H](C)N1C(=O)c1c[n-]c2ccccc2c1=O ZINC000271395832 378490722 /nfs/dbraw/zinc/49/07/22/378490722.db2.gz LZIFYWSKDQJHTG-VXGBXAGGSA-N -1 3 284.359 3.344 20 0 CGADHM C[C@H]1CC[C@@H](NC(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000346368881 378556983 /nfs/dbraw/zinc/55/69/83/378556983.db2.gz WFZWPYLSAJNJSZ-WCQYABFASA-N -1 3 279.355 3.159 20 0 CGADHM Cc1cc(C(=O)N(Cc2ccco2)C(C)C)ccc1[O-] ZINC000272428002 378634628 /nfs/dbraw/zinc/63/46/28/378634628.db2.gz KWXKUARPJYCWDA-UHFFFAOYSA-N -1 3 273.332 3.344 20 0 CGADHM CC(C)c1noc([N-]Cc2cnc3ccc(Cl)cn23)n1 ZINC000272248502 378596365 /nfs/dbraw/zinc/59/63/65/378596365.db2.gz OSEYPGULMRDSTF-UHFFFAOYSA-N -1 3 291.742 3.106 20 0 CGADHM Cc1cc(C(=O)N2CCC[C@H]2C(C)(C)C)ccc1[O-] ZINC000272550153 378663750 /nfs/dbraw/zinc/66/37/50/378663750.db2.gz YVWBTNVFCFXUJU-AWEZNQCLSA-N -1 3 261.365 3.351 20 0 CGADHM CC(C)c1ccc(-c2nc(Cc3ccon3)no2)c([O-])c1 ZINC000274040631 378768583 /nfs/dbraw/zinc/76/85/83/378768583.db2.gz WKEQSIYFYCUCNH-UHFFFAOYSA-N -1 3 285.303 3.144 20 0 CGADHM C[C@@H]1C[C@H](C)CN1C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436564880 297363411 /nfs/dbraw/zinc/36/34/11/297363411.db2.gz PVSCWVXHDSDXHL-NWDGAFQWSA-N -1 3 273.376 3.142 20 0 CGADHM CN(Cc1nc(=O)c2sccc2[n-]1)CC1(C)CCC1 ZINC000278486072 194006462 /nfs/dbraw/zinc/00/64/62/194006462.db2.gz KNCHNGIYHBJYRL-UHFFFAOYSA-N -1 3 277.393 3.019 20 0 CGADHM CC[C@H](NCc1cnc(C)[n-]c1=O)c1ccc(C)cc1 ZINC000346801940 218018936 /nfs/dbraw/zinc/01/89/36/218018936.db2.gz SFJJQDCZGVCWCB-HNNXBMFYSA-N -1 3 271.364 3.040 20 0 CGADHM CC[C@@]1(C)CCCN(C(=O)c2ccc([O-])c(OC)c2)C1 ZINC000276863159 379008632 /nfs/dbraw/zinc/00/86/32/379008632.db2.gz CUUGNXHWXDHWRB-INIZCTEOSA-N -1 3 277.364 3.053 20 0 CGADHM Cc1cccc(CNCc2ccccc2CC(=O)[O-])c1C ZINC000276953180 379029804 /nfs/dbraw/zinc/02/98/04/379029804.db2.gz DYTVOCXFESTTDB-UHFFFAOYSA-N -1 3 283.371 3.220 20 0 CGADHM Cc1ccc(CNCCCCCCCC(=O)[O-])o1 ZINC000276960861 379031746 /nfs/dbraw/zinc/03/17/46/379031746.db2.gz FTPZGAGOKMROAK-UHFFFAOYSA-N -1 3 253.342 3.103 20 0 CGADHM COc1cc(C(=O)N[C@@H]2CCCC(C)(C)C2)ccc1[O-] ZINC000277047368 379054128 /nfs/dbraw/zinc/05/41/28/379054128.db2.gz GNXZVBKTSOTQQI-GFCCVEGCSA-N -1 3 277.364 3.099 20 0 CGADHM C[C@@H]1CCC[C@@H](CC(=O)Nc2nnc(-c3ccco3)[n-]2)C1 ZINC000347393560 218218729 /nfs/dbraw/zinc/21/87/29/218218729.db2.gz WFYOEJSAGHTDEX-GHMZBOCLSA-N -1 3 288.351 3.220 20 0 CGADHM C[C@@H]1CCC[C@@H](CC(=O)Nc2nc(-c3ccco3)n[n-]2)C1 ZINC000347393560 218218731 /nfs/dbraw/zinc/21/87/31/218218731.db2.gz WFYOEJSAGHTDEX-GHMZBOCLSA-N -1 3 288.351 3.220 20 0 CGADHM C[C@@H]1CCC[C@@H](CC(=O)Nc2n[n-]c(-c3ccco3)n2)C1 ZINC000347393560 218218733 /nfs/dbraw/zinc/21/87/33/218218733.db2.gz WFYOEJSAGHTDEX-GHMZBOCLSA-N -1 3 288.351 3.220 20 0 CGADHM CC[C@@H](C)C[C@@H](C)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000266373478 190252529 /nfs/dbraw/zinc/25/25/29/190252529.db2.gz RXPHSCDCQCZQMC-VXGBXAGGSA-N -1 3 286.375 3.495 20 0 CGADHM O=C([O-])CCCCCCCNCc1c(F)cccc1F ZINC000277235177 379105980 /nfs/dbraw/zinc/10/59/80/379105980.db2.gz IULHCMMPMSYPAU-UHFFFAOYSA-N -1 3 285.334 3.480 20 0 CGADHM C[C@H]1CCN(Cc2ccc(C(=O)[O-])s2)CC1(C)C ZINC000568066002 322191567 /nfs/dbraw/zinc/19/15/67/322191567.db2.gz NCRHGHSGHMMLKC-JTQLQIEISA-N -1 3 267.394 3.314 20 0 CGADHM COc1ccccc1CN[C@@H](C(=O)[O-])c1cccc(C)c1C ZINC000277280997 379118193 /nfs/dbraw/zinc/11/81/93/379118193.db2.gz LXZYPYZLBLTFMH-QGZVFWFLSA-N -1 3 299.370 3.228 20 0 CGADHM C[C@@H]1CCN(C(=O)CC(C)(F)F)c2c([O-])cccc21 ZINC000277444891 379159931 /nfs/dbraw/zinc/15/99/31/379159931.db2.gz XAARUWPPPQGMOA-SECBINFHSA-N -1 3 269.291 3.278 20 0 CGADHM CC(C)(CNCc1ccc(F)cc1Cl)CC(=O)[O-] ZINC000277472980 379169965 /nfs/dbraw/zinc/16/99/65/379169965.db2.gz WEXJTRLYKIJYGO-UHFFFAOYSA-N -1 3 273.735 3.070 20 0 CGADHM [O-]c1cc(F)cc(CN2CC[C@@H](CC(F)(F)F)C2)c1 ZINC000278382367 379368726 /nfs/dbraw/zinc/36/87/26/379368726.db2.gz LVMVHMZJOURDHL-VIFPVBQESA-N -1 3 277.261 3.306 20 0 CGADHM CC(C)(C)c1ccc(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)c([O-])c1 ZINC000374287555 379409311 /nfs/dbraw/zinc/40/93/11/379409311.db2.gz LTVKFGHXGQENGK-JMSVASOKSA-N -1 3 289.375 3.196 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N2CCC[C@@H]2c2ccsc2)n1 ZINC000279411761 379428791 /nfs/dbraw/zinc/42/87/91/379428791.db2.gz JOAGALLALGLZSB-WCQYABFASA-N -1 3 289.404 3.450 20 0 CGADHM CSc1nnc(NC(=O)c2cc(C)c(Cl)cc2C)[n-]1 ZINC000279667882 379486708 /nfs/dbraw/zinc/48/67/08/379486708.db2.gz HIKYKBBNHCREKV-UHFFFAOYSA-N -1 3 296.783 3.049 20 0 CGADHM CSc1n[n-]c(NC(=O)c2cc(C)c(Cl)cc2C)n1 ZINC000279667882 379486710 /nfs/dbraw/zinc/48/67/10/379486710.db2.gz HIKYKBBNHCREKV-UHFFFAOYSA-N -1 3 296.783 3.049 20 0 CGADHM CSc1nc(NC(=O)c2cc(C)c(Cl)cc2C)n[n-]1 ZINC000279667882 379486712 /nfs/dbraw/zinc/48/67/12/379486712.db2.gz HIKYKBBNHCREKV-UHFFFAOYSA-N -1 3 296.783 3.049 20 0 CGADHM CC[C@H](c1ccccc1)N(CC(=O)[O-])C[C@@H](F)CC ZINC000569826439 322257992 /nfs/dbraw/zinc/25/79/92/322257992.db2.gz WVYBDIIULWVIPM-UONOGXRCSA-N -1 3 267.344 3.272 20 0 CGADHM CCc1cc(=O)[n-]c(CSCCCC2CCOCC2)n1 ZINC000279775056 379512114 /nfs/dbraw/zinc/51/21/14/379512114.db2.gz NIGWHQRCKBMHDP-UHFFFAOYSA-N -1 3 296.436 3.185 20 0 CGADHM CCOc1cc(-c2noc([C@H]3CCSC3)n2)ccc1[O-] ZINC000350797480 379585311 /nfs/dbraw/zinc/58/53/11/379585311.db2.gz XYPJUPLPROOAQU-JTQLQIEISA-N -1 3 292.360 3.061 20 0 CGADHM Cc1cccc(-c2nc(-c3cccnc3C)no2)c1[O-] ZINC000350567245 379563050 /nfs/dbraw/zinc/56/30/50/379563050.db2.gz HAIXXYWJXDMREC-UHFFFAOYSA-N -1 3 267.288 3.121 20 0 CGADHM Cc1ccc(-c2nc(-c3ccnc(C)c3)no2)c([O-])c1 ZINC000350588637 379566969 /nfs/dbraw/zinc/56/69/69/379566969.db2.gz YSLXPJWIRCSGHA-UHFFFAOYSA-N -1 3 267.288 3.121 20 0 CGADHM CCOc1cc(-c2noc([C@H]3[C@@H](C)C3(F)F)n2)ccc1[O-] ZINC000350581414 379567091 /nfs/dbraw/zinc/56/70/91/379567091.db2.gz QCOZVLULRSVXQL-RDDDGLTNSA-N -1 3 296.273 3.210 20 0 CGADHM C[C@@H]1C[C@H]1[C@@H]([N-]C(=O)C(F)F)c1ccc(Cl)cc1 ZINC000279007024 194248460 /nfs/dbraw/zinc/24/84/60/194248460.db2.gz HESMYDWIUJUJJG-ONOSFVFSSA-N -1 3 273.710 3.418 20 0 CGADHM Cc1cc2sc(NC([O-])=NOCC(C)C)nc2cc1F ZINC000280629493 379750414 /nfs/dbraw/zinc/75/04/14/379750414.db2.gz ZSOLIVVQSDPXJH-UHFFFAOYSA-N -1 3 297.355 3.453 20 0 CGADHM Cc1cc2sc(NC(=O)[N-]OCC(C)C)nc2cc1F ZINC000280629493 379750419 /nfs/dbraw/zinc/75/04/19/379750419.db2.gz ZSOLIVVQSDPXJH-UHFFFAOYSA-N -1 3 297.355 3.453 20 0 CGADHM O=C([N-]OC[C@@H]1CCOC1)Nc1ccc(C2CCC2)cc1 ZINC000279014627 194250027 /nfs/dbraw/zinc/25/00/27/194250027.db2.gz VHZQDSVYADWJQV-GFCCVEGCSA-N -1 3 290.363 3.044 20 0 CGADHM CSc1ccccc1CC(=O)Nc1cc(F)ccc1[O-] ZINC000347732390 218339074 /nfs/dbraw/zinc/33/90/74/218339074.db2.gz KACUBXUHRLYZGB-UHFFFAOYSA-N -1 3 291.347 3.434 20 0 CGADHM CC1=C(C)CN(Cc2cc(=O)oc3cc([O-])ccc23)CC1 ZINC000280843717 379805505 /nfs/dbraw/zinc/80/55/05/379805505.db2.gz XJUMBDYFELGBAK-UHFFFAOYSA-N -1 3 285.343 3.041 20 0 CGADHM O=C([N-][C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1)C(F)F ZINC000280726828 379774085 /nfs/dbraw/zinc/77/40/85/379774085.db2.gz QMDBFDKNZLRNSN-CZMCAQCFSA-N -1 3 293.235 3.333 20 0 CGADHM CCO[C@H]1C[C@@H](NCc2c(F)ccc([O-])c2F)C12CCC2 ZINC000352570325 379862610 /nfs/dbraw/zinc/86/26/10/379862610.db2.gz FZDBSAFVNPDKRP-KGLIPLIRSA-N -1 3 297.345 3.108 20 0 CGADHM Cc1ccccc1NCCC(=O)Nc1c(C)cccc1[O-] ZINC000352645589 379888828 /nfs/dbraw/zinc/88/88/28/379888828.db2.gz JBEBNSDBQOIWFM-UHFFFAOYSA-N -1 3 284.359 3.450 20 0 CGADHM O=C(c1ccoc1C1CC1)N1CCCc2cccc([O-])c21 ZINC000282544702 379941906 /nfs/dbraw/zinc/94/19/06/379941906.db2.gz ZUCHEHPBJHDBRJ-UHFFFAOYSA-N -1 3 283.327 3.456 20 0 CGADHM CCCc1nnc([N-]C(=O)c2csc(C3CC3)n2)s1 ZINC000352820966 379982045 /nfs/dbraw/zinc/98/20/45/379982045.db2.gz RGOMBNGWBNBAFW-UHFFFAOYSA-N -1 3 294.405 3.077 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)C2CCCCC2)c(F)c1 ZINC000404856162 379984167 /nfs/dbraw/zinc/98/41/67/379984167.db2.gz BMCUMYCVZKAVIF-LBPRGKRZSA-N -1 3 299.411 3.381 20 0 CGADHM CCCCN(C(=O)c1cc(F)cc2[n-]nnc21)[C@@H](C)CC ZINC000282857109 380002177 /nfs/dbraw/zinc/00/21/77/380002177.db2.gz UKRGSKGSTKHVLV-JTQLQIEISA-N -1 3 292.358 3.138 20 0 CGADHM CCCCN(C(=O)c1cc(F)cc2nn[n-]c21)[C@@H](C)CC ZINC000282857109 380002188 /nfs/dbraw/zinc/00/21/88/380002188.db2.gz UKRGSKGSTKHVLV-JTQLQIEISA-N -1 3 292.358 3.138 20 0 CGADHM CCCCN(C(=O)c1cc(F)cc2n[n-]nc21)[C@@H](C)CC ZINC000282857109 380002189 /nfs/dbraw/zinc/00/21/89/380002189.db2.gz UKRGSKGSTKHVLV-JTQLQIEISA-N -1 3 292.358 3.138 20 0 CGADHM CCOC1(c2nc(-c3ccc([O-])cc3)no2)CCCC1 ZINC000283773048 380089255 /nfs/dbraw/zinc/08/92/55/380089255.db2.gz DDWJULDJHIOYDE-UHFFFAOYSA-N -1 3 274.320 3.248 20 0 CGADHM COc1cc(C(=O)N2[C@H](C)C[C@@H]3CCCC[C@@H]32)ccc1[O-] ZINC000268070872 190374695 /nfs/dbraw/zinc/37/46/95/190374695.db2.gz JUIJADSFEVWBFP-DYEKYZERSA-N -1 3 289.375 3.194 20 0 CGADHM COC1(CNCc2c(F)ccc([O-])c2F)CCC(C)CC1 ZINC000353258972 380192290 /nfs/dbraw/zinc/19/22/90/380192290.db2.gz MDGYPRDLTJSWIT-UHFFFAOYSA-N -1 3 299.361 3.355 20 0 CGADHM CC(C)(C)CC(=O)CSc1nc(C2CC2)cc(=O)[n-]1 ZINC000286422326 380212138 /nfs/dbraw/zinc/21/21/38/380212138.db2.gz GPRIZNICIXNFCR-UHFFFAOYSA-N -1 3 280.393 3.157 20 0 CGADHM CCOc1nc2ccc(-c3nc([C@H]4C[C@@H]4C)no3)cc2[n-]1 ZINC000643107696 380213752 /nfs/dbraw/zinc/21/37/52/380213752.db2.gz OGCZOLNXCBWAKD-WPRPVWTQSA-N -1 3 284.319 3.135 20 0 CGADHM C[C@H](CNCc1c(F)ccc([O-])c1F)CC(F)(F)F ZINC000414519418 380293670 /nfs/dbraw/zinc/29/36/70/380293670.db2.gz UJEJFFJBKGEBBO-ZETCQYMHSA-N -1 3 283.240 3.349 20 0 CGADHM CC(C)(CNCc1c(F)ccc([O-])c1F)c1cccnc1 ZINC000414553070 380316120 /nfs/dbraw/zinc/31/61/20/380316120.db2.gz FEEKHHSYVWOKKA-UHFFFAOYSA-N -1 3 292.329 3.133 20 0 CGADHM Cc1ccc(-c2cc(C(=O)[N-]c3ccnnc3C)on2)cc1 ZINC000354289655 380386962 /nfs/dbraw/zinc/38/69/62/380386962.db2.gz XIPNLTDMFFMAIN-UHFFFAOYSA-N -1 3 294.314 3.001 20 0 CGADHM C[C@@H]1C[C@H](C)CN1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000354204348 380362130 /nfs/dbraw/zinc/36/21/30/380362130.db2.gz FLMVVJUQMPKDFS-WDEREUQCSA-N -1 3 297.358 3.312 20 0 CGADHM [O-]c1ccc(F)c(CN2CCOC[C@@H]2CC2CCC2)c1F ZINC000354731758 380542191 /nfs/dbraw/zinc/54/21/91/380542191.db2.gz MPFGFKMBSGBLEA-LBPRGKRZSA-N -1 3 297.345 3.061 20 0 CGADHM [O-]c1ccc(F)c(CN2CCOC[C@H]2CC2CCC2)c1F ZINC000354731755 380543240 /nfs/dbraw/zinc/54/32/40/380543240.db2.gz MPFGFKMBSGBLEA-GFCCVEGCSA-N -1 3 297.345 3.061 20 0 CGADHM CCCc1csc(CN[C@@H]2CCCC[C@]2(C)C(=O)[O-])n1 ZINC000417576131 380643696 /nfs/dbraw/zinc/64/36/96/380643696.db2.gz JYSMDAGYDJXDGB-DOMZBBRYSA-N -1 3 296.436 3.219 20 0 CGADHM O=C([O-])CC[C@H](NCc1cccs1)c1ccccc1 ZINC000417589344 380645584 /nfs/dbraw/zinc/64/55/84/380645584.db2.gz ADLBBDJLAZRBEY-AWEZNQCLSA-N -1 3 275.373 3.444 20 0 CGADHM CO[C@]1(C)C[C@@H](NCc2cccc([O-])c2Cl)C1(C)C ZINC000645160483 380597488 /nfs/dbraw/zinc/59/74/88/380597488.db2.gz LVJTVZUJTMVFEZ-IUODEOHRSA-N -1 3 283.799 3.339 20 0 CGADHM COc1ccccc1CN[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000417613541 380652235 /nfs/dbraw/zinc/65/22/35/380652235.db2.gz DCDVPDJWHWLCDV-CVEARBPZSA-N -1 3 297.354 3.098 20 0 CGADHM O=C([O-])C1(CNCc2cc(Cl)ccc2Cl)CCC1 ZINC000417624695 380656468 /nfs/dbraw/zinc/65/64/68/380656468.db2.gz QNBXFDBTUWWAHM-UHFFFAOYSA-N -1 3 288.174 3.338 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])C1(C2CC2)CCOCC1 ZINC000334748064 207012332 /nfs/dbraw/zinc/01/23/32/207012332.db2.gz HCXGSWVFXLBDHR-UHFFFAOYSA-N -1 3 295.766 3.191 20 0 CGADHM C[C@@H]1C[C@H](C)[C@H](C)N(Cc2nc(=O)c3sccc3[n-]2)C1 ZINC000355789054 380778303 /nfs/dbraw/zinc/77/83/03/380778303.db2.gz URLFCDADWMRGOU-VWYCJHECSA-N -1 3 291.420 3.263 20 0 CGADHM C[C@@H]1C[C@H](C)[C@H](C)N(C(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC000356674192 380818591 /nfs/dbraw/zinc/81/85/91/380818591.db2.gz NOHMFXOTDWPVLT-AGIUHOORSA-N -1 3 298.386 3.035 20 0 CGADHM CC[C@H](C)[C@H](OC)C(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000356822837 380885638 /nfs/dbraw/zinc/88/56/38/380885638.db2.gz OVNVUBCCOZLGIN-OZVIIMIRSA-N -1 3 291.391 3.294 20 0 CGADHM CCO[C@@H]1C[C@H](NC(=O)c2cccc([O-])c2)C1(CC)CC ZINC000357307253 381098375 /nfs/dbraw/zinc/09/83/75/381098375.db2.gz OVHKCUXMJDHWNT-LSDHHAIUSA-N -1 3 291.391 3.106 20 0 CGADHM O=C(c1cccc([O-])c1)N1CCC[C@H](Cc2ccccc2)C1 ZINC000357428433 381155672 /nfs/dbraw/zinc/15/56/72/381155672.db2.gz HLKBEEBLCDCTOB-MRXNPFEDSA-N -1 3 295.382 3.487 20 0 CGADHM COC(=O)c1ccc(NCc2c(F)ccc([O-])c2F)cc1 ZINC000357707489 381259775 /nfs/dbraw/zinc/25/97/75/381259775.db2.gz QQLODQRJDAYGAB-UHFFFAOYSA-N -1 3 293.269 3.069 20 0 CGADHM C[C@@H]1CCCN([C@H](C(=O)[O-])c2c(F)cccc2Cl)C1 ZINC000212261504 542284416 /nfs/dbraw/zinc/28/44/16/542284416.db2.gz IFPFKLVLOLLATI-RNCFNFMXSA-N -1 3 285.746 3.337 20 0 CGADHM CC(C)(C)c1ccc(NC(=O)CCc2ncccn2)c([O-])c1 ZINC000360548080 381577247 /nfs/dbraw/zinc/57/72/47/381577247.db2.gz SPEYFODJHSMPHJ-UHFFFAOYSA-N -1 3 299.374 3.051 20 0 CGADHM Cc1ncccc1N(C)C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000334912481 207281899 /nfs/dbraw/zinc/28/18/99/207281899.db2.gz WEPSKQUJWRKRDW-UHFFFAOYSA-N -1 3 296.370 3.251 20 0 CGADHM CO[C@@](C)(C(=O)Nc1ccc([O-])cc1F)c1ccccc1 ZINC000358149226 532990903 /nfs/dbraw/zinc/99/09/03/532990903.db2.gz LFPTVNLSUGSONV-MRXNPFEDSA-N -1 3 289.306 3.032 20 0 CGADHM O=c1nc(-c2ccncn2)[n-]c2sc3c(c21)CCCCC3 ZINC000280977678 195054766 /nfs/dbraw/zinc/05/47/66/195054766.db2.gz JVQSDTXPHLPMBK-UHFFFAOYSA-N -1 3 298.371 3.123 20 0 CGADHM CCC[C@@H](NC(=O)NCc1ncccc1[O-])c1ccccc1 ZINC000349222568 218825857 /nfs/dbraw/zinc/82/58/57/218825857.db2.gz ZFSMARWAXBIRNV-CQSZACIVSA-N -1 3 299.374 3.128 20 0 CGADHM O=C([N-]c1cc(F)ccc1F)c1cc(C2CC2)no1 ZINC000335388216 208339232 /nfs/dbraw/zinc/33/92/32/208339232.db2.gz LBOTXLUYTPEAEI-UHFFFAOYSA-N -1 3 264.231 3.083 20 0 CGADHM O=C(NCC[C@@H]1CCCCO1)c1cc([O-])c2ccccc2c1 ZINC000279392107 542378880 /nfs/dbraw/zinc/37/88/80/542378880.db2.gz AAYPPAYFLUGEQV-HNNXBMFYSA-N -1 3 299.370 3.234 20 0 CGADHM CC[C@H]1CO[C@@H](C)CN1C(=O)c1cc([O-])c2ccccc2c1 ZINC000280190810 542381382 /nfs/dbraw/zinc/38/13/82/542381382.db2.gz DJBUIKALVBAREZ-WFASDCNBSA-N -1 3 299.370 3.185 20 0 CGADHM COCC1(CNC(=O)c2cc([O-])c3ccccc3c2)CCC1 ZINC000282042685 542385050 /nfs/dbraw/zinc/38/50/50/542385050.db2.gz LFZHVJQTZLZJAD-UHFFFAOYSA-N -1 3 299.370 3.092 20 0 CGADHM CO[C@H]1CCC[C@H](CC(=O)Nc2cc(F)ccc2[O-])C1 ZINC000281203735 195147872 /nfs/dbraw/zinc/14/78/72/195147872.db2.gz NGTOAOVNCIPYPH-JQWIXIFHSA-N -1 3 281.327 3.065 20 0 CGADHM [O-]c1coc2cc(OC[C@@H]3CCC(F)(F)C3)ccc12 ZINC000305941233 542420099 /nfs/dbraw/zinc/42/00/99/542420099.db2.gz FYHACMMKYJVRNS-SECBINFHSA-N -1 3 268.259 3.076 20 0 CGADHM C[C@H](C1CC1)N(C)C(=O)c1cc([O-])c2ccccc2c1 ZINC000336006557 542474100 /nfs/dbraw/zinc/47/41/00/542474100.db2.gz YPHGGVVZXKTIMD-LLVKDONJSA-N -1 3 269.344 3.416 20 0 CGADHM Cc1ccc([O-])c(-c2nc([C@H]3CCOC(C)(C)C3)no2)c1 ZINC000351188155 542543336 /nfs/dbraw/zinc/54/33/36/542543336.db2.gz NDIHUMDDYYVGMJ-NSHDSACASA-N -1 3 288.347 3.423 20 0 CGADHM CCn1nccc1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000352153775 542552279 /nfs/dbraw/zinc/55/22/79/542552279.db2.gz JEFVUQJJEBFUGZ-UHFFFAOYSA-N -1 3 281.315 3.014 20 0 CGADHM Cc1ccc(NC(=O)c2ccoc2C2CC2)c([O-])c1 ZINC000281576062 195294449 /nfs/dbraw/zinc/29/44/49/195294449.db2.gz RUOADGJOTVQVII-UHFFFAOYSA-N -1 3 257.289 3.423 20 0 CGADHM [O-]c1ccc(-c2nc(-c3ccc(F)cc3)no2)cc1 ZINC000045894284 285382657 /nfs/dbraw/zinc/38/26/57/285382657.db2.gz CNMXFUVEVGUGOF-UHFFFAOYSA-N -1 3 256.236 3.248 20 0 CGADHM [O-]c1cccnc1CNCc1c(Cl)cccc1Cl ZINC000347904450 285398658 /nfs/dbraw/zinc/39/86/58/285398658.db2.gz HOGBDNPHUYKAHZ-UHFFFAOYSA-N -1 3 283.158 3.384 20 0 CGADHM COc1ccc(C(=O)N[C@@H]2C[C@H]2C2CCCCC2)c([O-])c1 ZINC000436930803 533341468 /nfs/dbraw/zinc/34/14/68/533341468.db2.gz IODVBVKNBCXBFU-LSDHHAIUSA-N -1 3 289.375 3.099 20 0 CGADHM COc1cccc(C(=O)N[C@@H]2C[C@H]2C2CCCCC2)c1[O-] ZINC000436918699 533415749 /nfs/dbraw/zinc/41/57/49/533415749.db2.gz IIDKOBAYKAXBCL-UONOGXRCSA-N -1 3 289.375 3.099 20 0 CGADHM COc1cc(C)cc(C(=O)Nc2cc(F)cc(F)c2)c1[O-] ZINC000436754938 533624536 /nfs/dbraw/zinc/62/45/36/533624536.db2.gz JFQWWMMDAVZQNW-UHFFFAOYSA-N -1 3 293.269 3.240 20 0 CGADHM Cc1ccc(CN([C@H](C)C(=O)[O-])C2CC2)c(Cl)c1 ZINC000383421588 542600024 /nfs/dbraw/zinc/60/00/24/542600024.db2.gz WUDUMKKRWDVPAT-SNVBAGLBSA-N -1 3 267.756 3.086 20 0 CGADHM C[C@@H]1C[C@H](CNC(=O)c2cc([O-])c3ccccc3c2)[C@H](C)O1 ZINC000412666889 542632270 /nfs/dbraw/zinc/63/22/70/542632270.db2.gz ZAOYFGLARGUZMK-TYNCELHUSA-N -1 3 299.370 3.089 20 0 CGADHM O=S(=O)([N-]CCCC1CCCCC1)c1cccs1 ZINC000030424670 391960042 /nfs/dbraw/zinc/96/00/42/391960042.db2.gz KUXBCCFPQRFFTK-UHFFFAOYSA-N -1 3 287.450 3.387 20 0 CGADHM COc1cc(C)cc(C(=O)N2c3ccccc3C[C@@H]2C)c1[O-] ZINC000093911340 392241154 /nfs/dbraw/zinc/24/11/54/392241154.db2.gz CHCRJUFEHRFIIU-LBPRGKRZSA-N -1 3 297.354 3.301 20 0 CGADHM Cc1ccc(C(=O)N[C@H](C)Cc2cccs2)c([O-])c1 ZINC000070140839 392176714 /nfs/dbraw/zinc/17/67/14/392176714.db2.gz MFEIEQYGFBUVJR-LLVKDONJSA-N -1 3 275.373 3.123 20 0 CGADHM Cc1cccc(CCNCc2cccc([O-])c2Cl)n1 ZINC000293143924 392521649 /nfs/dbraw/zinc/52/16/49/392521649.db2.gz DEQKNGGWGKCPDJ-UHFFFAOYSA-N -1 3 276.767 3.081 20 0 CGADHM CC1(C)CN(C(=O)Cc2ccc([O-])cc2Cl)[C@H]1C1CC1 ZINC000368252514 392488456 /nfs/dbraw/zinc/48/84/56/392488456.db2.gz MKZBALMRHJNBLU-HNNXBMFYSA-N -1 3 293.794 3.235 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)CCc1ccc(C)s1 ZINC000292187723 392500632 /nfs/dbraw/zinc/50/06/32/392500632.db2.gz WHJKCYNJHBQRRY-SNVBAGLBSA-N -1 3 255.383 3.083 20 0 CGADHM C[C@@H](CC(=O)Nc1ncccc1[O-])c1ccc(F)cc1F ZINC000161685695 392584455 /nfs/dbraw/zinc/58/44/55/392584455.db2.gz LVOWTYFBSVOGQS-VIFPVBQESA-N -1 3 292.285 3.198 20 0 CGADHM O=C(/C=C/c1cncc([O-])c1)Nc1cccc(C(F)F)c1 ZINC000181957115 392739053 /nfs/dbraw/zinc/73/90/53/392739053.db2.gz YWYCEFVAEUKTRG-SNAWJCMRSA-N -1 3 290.269 3.377 20 0 CGADHM CC(C)[C@H]1CCC[C@H](NC(=O)c2cccc([O-])c2)C1 ZINC000509301421 392743087 /nfs/dbraw/zinc/74/30/87/392743087.db2.gz QBNUYVHOSXZMPM-JSGCOSHPSA-N -1 3 261.365 3.337 20 0 CGADHM CCC(C)(C)OCC(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000457761276 392757813 /nfs/dbraw/zinc/75/78/13/392757813.db2.gz ZVRIQPXRZHNSNU-GFCCVEGCSA-N -1 3 291.391 3.438 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CC=C(c3ccccc3F)C2)c1 ZINC000374820614 392703991 /nfs/dbraw/zinc/70/39/91/392703991.db2.gz AMWOEQAKFIODSG-UHFFFAOYSA-N -1 3 297.329 3.379 20 0 CGADHM Cc1ccc([O-])c(C(=O)NCc2coc3ccccc23)c1 ZINC000510452749 392799744 /nfs/dbraw/zinc/79/97/44/392799744.db2.gz RCJUJCMUFAOHMN-UHFFFAOYSA-N -1 3 281.311 3.377 20 0 CGADHM CCC(C)(C)CNC(=O)Cc1ccc([O-])cc1Cl ZINC000192224747 392844020 /nfs/dbraw/zinc/84/40/20/392844020.db2.gz YBXCBVWWVHIWKF-UHFFFAOYSA-N -1 3 269.772 3.141 20 0 CGADHM CC(C)(C)c1ccc(NC(=O)c2ccc(F)cn2)c([O-])c1 ZINC000337438719 392886323 /nfs/dbraw/zinc/88/63/23/392886323.db2.gz YLEJSUFWEPIJMH-UHFFFAOYSA-N -1 3 288.322 3.476 20 0 CGADHM O=C([O-])c1ccc(CNCc2ccnc3ccccc23)cc1 ZINC000519857790 392898667 /nfs/dbraw/zinc/89/86/67/392898667.db2.gz GJYGRAWSBKEKCQ-UHFFFAOYSA-N -1 3 292.338 3.223 20 0 CGADHM CC(C)CC[C@H]1CCCN1Cc1cc(C(=O)[O-])co1 ZINC000518200647 392870507 /nfs/dbraw/zinc/87/05/07/392870507.db2.gz LMWHWIHJHPHUCL-CYBMUJFWSA-N -1 3 265.353 3.378 20 0 CGADHM COc1cc(Cl)ccc1CN1CCC[C@H](CC(=O)[O-])C1 ZINC000520349362 392920373 /nfs/dbraw/zinc/92/03/73/392920373.db2.gz HEUHSCDRZYRRGK-LLVKDONJSA-N -1 3 297.782 3.035 20 0 CGADHM O=C(N[C@@H]1CC[C@H]2CCCC[C@H]2C1)c1cccc2nn[n-]c21 ZINC000525865591 392949227 /nfs/dbraw/zinc/94/92/27/392949227.db2.gz YZMPTAALKCWNNX-FRRDWIJNSA-N -1 3 298.390 3.047 20 0 CGADHM O=C(N[C@@H]1CC[C@H]2CCCC[C@H]2C1)c1cccc2[n-]nnc21 ZINC000525865591 392949233 /nfs/dbraw/zinc/94/92/33/392949233.db2.gz YZMPTAALKCWNNX-FRRDWIJNSA-N -1 3 298.390 3.047 20 0 CGADHM O=C(N[C@@H]1CC[C@H]2CCCC[C@H]2C1)c1cccc2n[n-]nc21 ZINC000525865591 392949242 /nfs/dbraw/zinc/94/92/42/392949242.db2.gz YZMPTAALKCWNNX-FRRDWIJNSA-N -1 3 298.390 3.047 20 0 CGADHM CCC(CC)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000527445645 542741516 /nfs/dbraw/zinc/74/15/16/542741516.db2.gz CNCWHFCUMJWTDW-UHFFFAOYSA-N -1 3 257.333 3.464 20 0 CGADHM CCCC[C@@H](NC(=O)c1cccc2nn[n-]c21)C1CCC1 ZINC000525865710 392950083 /nfs/dbraw/zinc/95/00/83/392950083.db2.gz YAOJBCCFUOSUCQ-CYBMUJFWSA-N -1 3 286.379 3.047 20 0 CGADHM CCCC[C@@H](NC(=O)c1cccc2[n-]nnc21)C1CCC1 ZINC000525865710 392950086 /nfs/dbraw/zinc/95/00/86/392950086.db2.gz YAOJBCCFUOSUCQ-CYBMUJFWSA-N -1 3 286.379 3.047 20 0 CGADHM CCCC[C@@H](NC(=O)c1cccc2n[n-]nc21)C1CCC1 ZINC000525865710 392950087 /nfs/dbraw/zinc/95/00/87/392950087.db2.gz YAOJBCCFUOSUCQ-CYBMUJFWSA-N -1 3 286.379 3.047 20 0 CGADHM CCCCCN(C(=O)c1ccc(O)cc1[O-])C(C)C ZINC000221287104 393008518 /nfs/dbraw/zinc/00/85/18/393008518.db2.gz REPFZBRTBZTJGA-UHFFFAOYSA-N -1 3 265.353 3.139 20 0 CGADHM O=C([O-])c1ccc(CN2CCC[C@H]3CCC[C@H]32)c(F)c1 ZINC000228073608 393018904 /nfs/dbraw/zinc/01/89/04/393018904.db2.gz CXJZTGAJEJXMTI-IAQYHMDHSA-N -1 3 277.339 3.288 20 0 CGADHM C[C@@H]1C[C@H](C)CN(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000468551634 393151313 /nfs/dbraw/zinc/15/13/13/393151313.db2.gz DRFALOHTUXATEL-BETUJISGSA-N -1 3 293.382 3.359 20 0 CGADHM CC(C)c1nnc([N-]C(=O)c2cccc(F)c2F)s1 ZINC000263645972 393152914 /nfs/dbraw/zinc/15/29/14/393152914.db2.gz FINUJKJVOPXQQU-UHFFFAOYSA-N -1 3 283.303 3.192 20 0 CGADHM CC(C)(C)CNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000468615574 393155580 /nfs/dbraw/zinc/15/55/80/393155580.db2.gz OZOANGHIEDSKAC-UHFFFAOYSA-N -1 3 267.344 3.016 20 0 CGADHM CCOc1cc(NC(=O)[N-]OCC(C)C)ccc1C ZINC000269670384 393230013 /nfs/dbraw/zinc/23/00/13/393230013.db2.gz JJQFOCLBLZOGKZ-UHFFFAOYSA-N -1 3 266.341 3.103 20 0 CGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]CC1CC1 ZINC000470552520 393248282 /nfs/dbraw/zinc/24/82/82/393248282.db2.gz XCAZEBWRRLGRJD-UHFFFAOYSA-N -1 3 299.779 3.083 20 0 CGADHM CC(=O)c1cccc(NC(=O)CCCC2CC2)c1[O-] ZINC000648904699 393286490 /nfs/dbraw/zinc/28/64/90/393286490.db2.gz LICHDOWYNGSWEW-UHFFFAOYSA-N -1 3 261.321 3.114 20 0 CGADHM [O-]c1cccnc1CNCc1ccc(Cl)c2cccnc12 ZINC000355286199 393290977 /nfs/dbraw/zinc/29/09/77/393290977.db2.gz HGQMOLBGEJAXKF-UHFFFAOYSA-N -1 3 299.761 3.279 20 0 CGADHM CCC(C)(C)[N-]S(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000471688845 393292858 /nfs/dbraw/zinc/29/28/58/393292858.db2.gz PGJPAPXJEJVWQV-UHFFFAOYSA-N -1 3 293.791 3.254 20 0 CGADHM Cc1ccccc1[C@H](C)NC(=O)c1ccc2[nH][n-]c(=O)c2c1 ZINC000646566869 393303315 /nfs/dbraw/zinc/30/33/15/393303315.db2.gz CVHUZAITLOMWPU-NSHDSACASA-N -1 3 295.342 3.068 20 0 CGADHM Cc1cc(C(=O)N(C)[C@@H](C)c2ccco2)ccc1[O-] ZINC000272380014 393260830 /nfs/dbraw/zinc/26/08/30/393260830.db2.gz FNMHICCXLGKXNC-NSHDSACASA-N -1 3 259.305 3.127 20 0 CGADHM CC(C)c1ccc(C(=O)NC/C=C/c2cccnc2)c([O-])c1 ZINC000646405546 393278931 /nfs/dbraw/zinc/27/89/31/393278931.db2.gz GSBPBMOTZYDSFA-GQCTYLIASA-N -1 3 296.370 3.354 20 0 CGADHM Cc1cc(C(=O)N=c2[nH][n-]c(C(C)C)c2C)c(C)s1 ZINC000649233407 393380939 /nfs/dbraw/zinc/38/09/39/393380939.db2.gz MOUQXEPGLAUTGT-UHFFFAOYSA-N -1 3 277.393 3.194 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)C(C)(C)CC(C)C ZINC000649231392 393379775 /nfs/dbraw/zinc/37/97/75/393379775.db2.gz SRYFKWSJYHWWMQ-UHFFFAOYSA-N -1 3 265.401 3.274 20 0 CGADHM CCc1c(C)nc2ccccc2c1N1CC[C@@H](C(=O)[O-])[C@@H]1C ZINC000649406990 393414444 /nfs/dbraw/zinc/41/44/44/393414444.db2.gz RFKTUVAMDLFQGN-GXTWGEPZSA-N -1 3 298.386 3.405 20 0 CGADHM Cc1ccc(NC(=O)C(=O)c2ccc(Cl)s2)c([O-])c1 ZINC000429474553 393470544 /nfs/dbraw/zinc/47/05/44/393470544.db2.gz MLUXTMZLPJIUOF-UHFFFAOYSA-N -1 3 295.747 3.237 20 0 CGADHM CCc1ccc([O-])c(C(=O)N[C@H](C)c2cccc(O)c2)c1 ZINC000430230396 393545044 /nfs/dbraw/zinc/54/50/44/393545044.db2.gz YMCXJDIHWOOQGB-LLVKDONJSA-N -1 3 285.343 3.151 20 0 CGADHM CC(C)(C)c1ccc(NC(=O)c2cccc(CO)c2)c([O-])c1 ZINC000488545247 393536660 /nfs/dbraw/zinc/53/66/60/393536660.db2.gz BPLCEJYWUQOLGA-UHFFFAOYSA-N -1 3 299.370 3.434 20 0 CGADHM CC(C)(C)OC1CC(CC(=O)Nc2ccc([O-])cc2F)C1 ZINC000488918504 393560885 /nfs/dbraw/zinc/56/08/85/393560885.db2.gz NQPHRGULPIPVTN-UHFFFAOYSA-N -1 3 295.354 3.454 20 0 CGADHM O=S(=O)([N-][C@@H]1CC[C@@H]2CCC[C@@H]2C1)c1ccccc1F ZINC000360889696 393608010 /nfs/dbraw/zinc/60/80/10/393608010.db2.gz UQXXXADIERALRG-YNEHKIRRSA-N -1 3 297.395 3.073 20 0 CGADHM CC[C@@H](C)C[C@H](C)[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000360876930 393604201 /nfs/dbraw/zinc/60/42/01/393604201.db2.gz DFWMPLLMUSDPNF-ZJUUUORDSA-N -1 3 291.363 3.068 20 0 CGADHM O=C(/C=C\c1ccc(F)c(Cl)c1)[N-]O[C@H]1CCCCO1 ZINC000491353461 393682534 /nfs/dbraw/zinc/68/25/34/393682534.db2.gz WOAHIKNHJPNQGB-VSKVDJIOSA-N -1 3 299.729 3.067 20 0 CGADHM CCN(C[C@H](C)OC)C(=O)c1cc([O-])c2ccccc2c1 ZINC000361049198 393656006 /nfs/dbraw/zinc/65/60/06/393656006.db2.gz DFAIMHOEXFKAKH-LBPRGKRZSA-N -1 3 287.359 3.042 20 0 CGADHM Cc1ccc(/C=C/C(=O)N2CCCc3cccc([O-])c32)nc1 ZINC000492429975 393734069 /nfs/dbraw/zinc/73/40/69/393734069.db2.gz XCHRHBGSKGQWSD-MDZDMXLPSA-N -1 3 294.354 3.088 20 0 CGADHM COc1cc(C(=O)N[C@@H](C)C2CCCCC2)ccc1[O-] ZINC000443284092 393750898 /nfs/dbraw/zinc/75/08/98/393750898.db2.gz QNOZKWCOQUUOEG-NSHDSACASA-N -1 3 277.364 3.099 20 0 CGADHM CCc1ccc([O-])c(C(=O)NCc2cc(F)cc(F)c2)c1 ZINC000500765885 393836794 /nfs/dbraw/zinc/83/67/94/393836794.db2.gz OUKLXVKMBCKFSL-UHFFFAOYSA-N -1 3 291.297 3.163 20 0 CGADHM Cc1cc(C(=O)NCCc2ccccc2Cl)ccc1[O-] ZINC000499745809 393805002 /nfs/dbraw/zinc/80/50/02/393805002.db2.gz BKHYLYZQUKSGKZ-UHFFFAOYSA-N -1 3 289.762 3.327 20 0 CGADHM C[C@@H]1CCC[C@@H]1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000504310405 393915683 /nfs/dbraw/zinc/91/56/83/393915683.db2.gz SSZXQKWOGXIUMZ-RISCZKNCSA-N -1 3 279.355 3.159 20 0 CGADHM O=C(c1ccc2[nH][n-]c(=O)c2c1)N(C1CC1)C1CCCCC1 ZINC000667059151 542840116 /nfs/dbraw/zinc/84/01/16/542840116.db2.gz UYXNSEBJTHZKGX-UHFFFAOYSA-N -1 3 299.374 3.206 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)N[C@@H]1C[C@H]1C1CCCCC1 ZINC000449946215 393948728 /nfs/dbraw/zinc/94/87/28/393948728.db2.gz VQAQBWDYTKSLGZ-DZGCQCFKSA-N -1 3 291.366 3.159 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])[C@H]1CCCCC1(F)F ZINC000450041569 393967718 /nfs/dbraw/zinc/96/77/18/393967718.db2.gz IZVVCUAGWMGHBX-SECBINFHSA-N -1 3 273.254 3.295 20 0 CGADHM CCC1(CNC(=O)Cc2ccc([O-])c(F)c2)CCCC1 ZINC000450123234 393982653 /nfs/dbraw/zinc/98/26/53/393982653.db2.gz VZFAHBFKRIWSQP-UHFFFAOYSA-N -1 3 279.355 3.160 20 0 CGADHM C[C@@H]1CN(C(=O)Cc2ccc([O-])c(F)c2)[C@@H]2CCCC[C@@H]21 ZINC000450538716 394013043 /nfs/dbraw/zinc/01/30/43/394013043.db2.gz ZVOGWLYDVIODGN-UXIGCNINSA-N -1 3 291.366 3.111 20 0 CGADHM CC[C@@H]1C[C@H]1C(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000450936679 394039531 /nfs/dbraw/zinc/03/95/31/394039531.db2.gz NAQBENODBUPZGN-DMDPSCGWSA-N -1 3 259.349 3.279 20 0 CGADHM CCC1(NC(=O)Cc2ccc([O-])cc2Cl)CCCC1 ZINC000452982756 394140700 /nfs/dbraw/zinc/14/07/00/394140700.db2.gz YWHSCRLTMFLXPI-UHFFFAOYSA-N -1 3 281.783 3.427 20 0 CGADHM CC[C@@]1(C(C)C)C[C@H]1NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000457263011 394338598 /nfs/dbraw/zinc/33/85/98/394338598.db2.gz DNUJSXJSJWIJRH-AEFFLSMTSA-N -1 3 298.386 3.083 20 0 CGADHM CC(C)c1ccc(C(=O)N2CCC[C@H]3C[C@H]32)c([O-])c1 ZINC000672129214 543199273 /nfs/dbraw/zinc/19/92/73/543199273.db2.gz WNMLTWSNSNUZSR-GXTWGEPZSA-N -1 3 259.349 3.140 20 0 CGADHM Cc1ncoc1C(=O)[N-]c1csc(-c2ccccc2)n1 ZINC000672332275 543209831 /nfs/dbraw/zinc/20/98/31/543209831.db2.gz BKOXCJLRTNMQDM-UHFFFAOYSA-N -1 3 285.328 3.359 20 0 CGADHM Cc1cc(C(=O)Nc2cc(F)ccc2[O-])c(C)s1 ZINC000674015913 543263404 /nfs/dbraw/zinc/26/34/04/543263404.db2.gz XQZURDLBJOFZME-UHFFFAOYSA-N -1 3 265.309 3.462 20 0 CGADHM CC(C)N(Cc1c(F)ccc([O-])c1F)CC1CC1 ZINC000551947639 289142567 /nfs/dbraw/zinc/14/25/67/289142567.db2.gz YZTIFYDEXGWGJC-UHFFFAOYSA-N -1 3 255.308 3.291 20 0 CGADHM c1cc(-c2noc([C@H]3C[C@H]3C3CCCC3)n2)cc2n[n-]nc12 ZINC000650606346 397880815 /nfs/dbraw/zinc/88/08/15/397880815.db2.gz CVASBAUKPANQJE-RYUDHWBXSA-N -1 3 295.346 3.302 20 0 CGADHM CCCCn1c(=O)[n-]nc1SCCCOC(C)(C)C ZINC000674904605 543305486 /nfs/dbraw/zinc/30/54/86/543305486.db2.gz YWMVFYVHNVXLGF-UHFFFAOYSA-N -1 3 287.429 3.081 20 0 CGADHM Cc1ccc(NC(=O)[C@H](c2ccncc2)C(C)C)c([O-])c1 ZINC000344154877 292157827 /nfs/dbraw/zinc/15/78/27/292157827.db2.gz HYQAKOAKZWILCC-INIZCTEOSA-N -1 3 284.359 3.474 20 0 CGADHM Cc1ccc(NC(=O)CNc2cccc(Cl)c2)c([O-])c1 ZINC000677503028 543451124 /nfs/dbraw/zinc/45/11/24/543451124.db2.gz ZQZKGJOLUNJXGJ-UHFFFAOYSA-N -1 3 290.750 3.405 20 0 CGADHM CC(C)c1ccc(C(=O)NC2(C3CC3)CC2)c([O-])c1 ZINC000678316499 543514160 /nfs/dbraw/zinc/51/41/60/543514160.db2.gz CSSRYHYZMKSXQD-UHFFFAOYSA-N -1 3 259.349 3.188 20 0 CGADHM COc1ccc([O-])c(C(=O)N2CCCc3ccc(C)cc32)c1 ZINC000110394456 286337559 /nfs/dbraw/zinc/33/75/59/286337559.db2.gz NSKLXZNKOZRPSY-UHFFFAOYSA-N -1 3 297.354 3.302 20 0 CGADHM CSCCCCC(=O)Nc1cccc([O-])c1F ZINC000535657856 288454031 /nfs/dbraw/zinc/45/40/31/288454031.db2.gz FMCRQDYJSWYNDX-UHFFFAOYSA-N -1 3 257.330 3.003 20 0 CGADHM CC[C@H](NC(=O)c1cc(OC)ccc1[O-])c1ccccc1 ZINC000055463806 286945243 /nfs/dbraw/zinc/94/52/43/286945243.db2.gz VFIAYDNAJNBPRL-HNNXBMFYSA-N -1 3 285.343 3.282 20 0 CGADHM Cc1ccc(C(=O)Nc2cc(F)c(F)c(F)c2)c([O-])c1 ZINC000061120413 286957625 /nfs/dbraw/zinc/95/76/25/286957625.db2.gz HNFWEMBJAGJTOS-UHFFFAOYSA-N -1 3 281.233 3.370 20 0 CGADHM Cc1ccc(C[C@H](C)NC(=O)c2cccc(C)c2[O-])s1 ZINC000080247461 287064187 /nfs/dbraw/zinc/06/41/87/287064187.db2.gz GKGZXQPLJKTPPO-NSHDSACASA-N -1 3 289.400 3.432 20 0 CGADHM COc1ccc(C(=O)Nc2cc(Cl)ccc2[O-])c(F)c1 ZINC000067145580 165038138 /nfs/dbraw/zinc/03/81/38/165038138.db2.gz RUPYEGYCKCBARM-UHFFFAOYSA-N -1 3 295.697 3.446 20 0 CGADHM O=C(Cc1ccc(Cl)cc1)Nc1ccc([O-])cc1F ZINC000085203801 165179073 /nfs/dbraw/zinc/17/90/73/165179073.db2.gz RYIAIKFJQRUXRN-UHFFFAOYSA-N -1 3 279.698 3.366 20 0 CGADHM CC(C)c1nnc([N-]C(=O)c2scnc2C2CC2)s1 ZINC000089686864 165213632 /nfs/dbraw/zinc/21/36/32/165213632.db2.gz UIOCAXLCQRSKMY-UHFFFAOYSA-N -1 3 294.405 3.248 20 0 CGADHM CCOc1cc(NCc2nc(C)ccc2[O-])ccc1OC ZINC000091994142 165276235 /nfs/dbraw/zinc/27/62/35/165276235.db2.gz WKFRBSMEYHBKLC-UHFFFAOYSA-N -1 3 288.347 3.115 20 0 CGADHM O=C(Nc1ccc([O-])cc1F)[C@H]1Cc2ccccc2S1 ZINC000092231164 165288359 /nfs/dbraw/zinc/28/83/59/165288359.db2.gz ATNRDFBBRYREBI-CQSZACIVSA-N -1 3 289.331 3.187 20 0 CGADHM CCc1cccc(C(=O)Nc2ccc3c(c2)COC3)c1[O-] ZINC000092051250 287110282 /nfs/dbraw/zinc/11/02/82/287110282.db2.gz FKIIQLJIRUHLAW-UHFFFAOYSA-N -1 3 283.327 3.237 20 0 CGADHM CC[C@@H]1CCN(C(=O)c2c[n-]c3c(C)cc(C)cc3c2=O)C1 ZINC000164738890 165482440 /nfs/dbraw/zinc/48/24/40/165482440.db2.gz KOTKRBRHKQAPSJ-CYBMUJFWSA-N -1 3 298.386 3.429 20 0 CGADHM Cc1ccc([O-])c(-c2nc(Cc3cccc(F)c3)no2)c1 ZINC000111688736 287136185 /nfs/dbraw/zinc/13/61/85/287136185.db2.gz OFFXYOKDPHTJBW-UHFFFAOYSA-N -1 3 284.290 3.481 20 0 CGADHM Cc1ccc(C(=O)N(C)[C@H]2CCc3ccccc3C2)c([O-])c1 ZINC000114280330 287150305 /nfs/dbraw/zinc/15/03/05/287150305.db2.gz UHDJRFGJLVVCKJ-INIZCTEOSA-N -1 3 295.382 3.330 20 0 CGADHM Cc1ccc(C(=O)N2CCc3cccc(F)c3C2)c([O-])c1 ZINC000120827929 287187901 /nfs/dbraw/zinc/18/79/01/287187901.db2.gz JLQBNSWENOOCDA-UHFFFAOYSA-N -1 3 285.318 3.038 20 0 CGADHM Cc1ccc(C(=O)N2CCc3cc(F)ccc3C2)c([O-])c1C ZINC000121908477 287204415 /nfs/dbraw/zinc/20/44/15/287204415.db2.gz JYTLFZSVGOCUGS-UHFFFAOYSA-N -1 3 299.345 3.347 20 0 CGADHM CC[C@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000007307831 170277364 /nfs/dbraw/zinc/27/73/64/170277364.db2.gz XBZIUDSMPGHTHC-ZETCQYMHSA-N -1 3 282.192 3.070 20 0 CGADHM CCc1ccc(OCC(=O)Nc2ccc(C)cc2[O-])cc1 ZINC000008378317 170333634 /nfs/dbraw/zinc/33/36/34/170333634.db2.gz FJJISEQFNPQDQC-UHFFFAOYSA-N -1 3 285.343 3.281 20 0 CGADHM Cc1cccc(C(=O)N(C)Cc2cccc(F)c2)c1[O-] ZINC000020293396 171134749 /nfs/dbraw/zinc/13/47/49/171134749.db2.gz RQEOSXNMRWTAST-UHFFFAOYSA-N -1 3 273.307 3.112 20 0 CGADHM CC(C)C(=O)Nc1ccc(C(=O)Nc2ccccc2[O-])cc1 ZINC000021002443 171284627 /nfs/dbraw/zinc/28/46/27/171284627.db2.gz XBOMVUKIFNEJML-UHFFFAOYSA-N -1 3 298.342 3.239 20 0 CGADHM Cc1ccc(C(=O)NCc2ccccc2Cl)c([O-])c1 ZINC000021035592 171292402 /nfs/dbraw/zinc/29/24/02/171292402.db2.gz NULQLDRMFYHWIN-UHFFFAOYSA-N -1 3 275.735 3.284 20 0 CGADHM O=C(Nc1ccccc1[O-])c1cc(Cl)nc(Cl)c1 ZINC000021988007 171345576 /nfs/dbraw/zinc/34/55/76/171345576.db2.gz OQUCOWACCNPVQG-UHFFFAOYSA-N -1 3 283.114 3.346 20 0 CGADHM CCCCOc1ccc(C(=O)Nc2ncccc2[O-])cc1 ZINC000022263700 171382831 /nfs/dbraw/zinc/38/28/31/171382831.db2.gz ODEBLQIEXWNOAI-UHFFFAOYSA-N -1 3 286.331 3.218 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CC[C@H]3CCCC[C@@H]3C2)c1 ZINC000035175108 172028719 /nfs/dbraw/zinc/02/87/19/172028719.db2.gz MUCXGLOXNIRWKL-ZIAGYGMSSA-N -1 3 273.376 3.353 20 0 CGADHM COc1cccc(C(=O)N2CC[C@@H]3CCCC[C@@H]3C2)c1[O-] ZINC000035175078 172028735 /nfs/dbraw/zinc/02/87/35/172028735.db2.gz SQURJMGNHTVWDN-QWHCGFSZSA-N -1 3 289.375 3.053 20 0 CGADHM Cc1oc(CN2[C@H](C)CCC[C@@H]2C)cc1C(=O)[O-] ZINC000035432208 172200393 /nfs/dbraw/zinc/20/03/93/172200393.db2.gz BYEMQNCBMURTDU-AOOOYVTPSA-N -1 3 251.326 3.049 20 0 CGADHM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000039968678 174180325 /nfs/dbraw/zinc/18/03/25/174180325.db2.gz QFQFYEFEHQGUSL-UHFFFAOYSA-N -1 3 283.299 3.074 20 0 CGADHM O=C(c1cccc([O-])c1)N1CCC[C@H]1C1CCCC1 ZINC000045089512 175304638 /nfs/dbraw/zinc/30/46/38/175304638.db2.gz MYYFYEBNFDDEPD-HNNXBMFYSA-N -1 3 259.349 3.187 20 0 CGADHM O=C(Nc1cccc([O-])c1F)c1coc(-c2ccccc2)n1 ZINC000129360775 287329729 /nfs/dbraw/zinc/32/97/29/287329729.db2.gz BLTOKQCYPGVSON-UHFFFAOYSA-N -1 3 298.273 3.439 20 0 CGADHM Cc1ccc(CN2CC[C@@H](C(=O)[O-])[C@@H](C)C2)c(Cl)c1 ZINC000311610507 416532093 /nfs/dbraw/zinc/53/20/93/416532093.db2.gz QFXBTDBIPICTAE-WCQYABFASA-N -1 3 281.783 3.191 20 0 CGADHM O=C(Nc1cccc([O-])c1F)c1c(F)cccc1F ZINC000129481094 287332905 /nfs/dbraw/zinc/33/29/05/287332905.db2.gz MOWCZDAOIOLZEN-UHFFFAOYSA-N -1 3 267.206 3.062 20 0 CGADHM CC[C@@H]1CN(C(=O)c2cc([O-])ccc2Cl)[C@H](CC)CO1 ZINC000403799280 416551006 /nfs/dbraw/zinc/55/10/06/416551006.db2.gz DWFUSBYKXFFLHZ-ZYHUDNBSSA-N -1 3 297.782 3.075 20 0 CGADHM CC(C)(C)C1CCC(CN2CCOC[C@@H]2CC(=O)[O-])CC1 ZINC000130305339 416514159 /nfs/dbraw/zinc/51/41/59/416514159.db2.gz KUOUJCAXLLAOBW-NRXISQOPSA-N -1 3 297.439 3.014 20 0 CGADHM Cc1ccc(C[N-]c2nc(-c3ccccc3)no2)nc1 ZINC000679120547 543593270 /nfs/dbraw/zinc/59/32/70/543593270.db2.gz QXBGDAVQOUOLML-UHFFFAOYSA-N -1 3 266.304 3.052 20 0 CGADHM CCCCN(C(=O)c1cccc(CC)c1[O-])C1CC1 ZINC000536704559 288498894 /nfs/dbraw/zinc/49/88/94/288498894.db2.gz BIVUOXQKKUFFTE-UHFFFAOYSA-N -1 3 261.365 3.359 20 0 CGADHM CCCCCSCc1cccc(-c2nnn[n-]2)c1 ZINC000736451277 572794969 /nfs/dbraw/zinc/79/49/69/572794969.db2.gz IRHHQTHMBBEFHZ-UHFFFAOYSA-N -1 3 262.382 3.290 20 0 CGADHM CCCCCSCc1cccc(-c2nn[n-]n2)c1 ZINC000736451277 572794976 /nfs/dbraw/zinc/79/49/76/572794976.db2.gz IRHHQTHMBBEFHZ-UHFFFAOYSA-N -1 3 262.382 3.290 20 0 CGADHM C[C@@H]1CCN(C(=O)CCCc2ccc([O-])c(F)c2)C[C@@H]1F ZINC000682527468 543850932 /nfs/dbraw/zinc/85/09/32/543850932.db2.gz BYKPIJBAILBPNM-RISCZKNCSA-N -1 3 297.345 3.061 20 0 CGADHM CCOc1nc(C(=O)[N-]c2nc(C3CCC3)cs2)co1 ZINC000683514651 543918983 /nfs/dbraw/zinc/91/89/83/543918983.db2.gz IEWWRTIPNPESFW-UHFFFAOYSA-N -1 3 293.348 3.050 20 0 CGADHM CCC[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000684656643 544023376 /nfs/dbraw/zinc/02/33/76/544023376.db2.gz LJWMQACOQYJTON-MRVPVSSYSA-N -1 3 296.219 3.460 20 0 CGADHM O=C([N-]c1cnoc1)c1ccc(Oc2ccccc2)cn1 ZINC000685038643 544052629 /nfs/dbraw/zinc/05/26/29/544052629.db2.gz GBPWSKJTMHXRJI-UHFFFAOYSA-N -1 3 281.271 3.114 20 0 CGADHM CN(CC(C)(C)C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000736789072 572812793 /nfs/dbraw/zinc/81/27/93/572812793.db2.gz UEMCDCQWXYPJAQ-UHFFFAOYSA-N -1 3 279.775 3.002 20 0 CGADHM CN(CC(C)(C)C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000736789072 572812795 /nfs/dbraw/zinc/81/27/95/572812795.db2.gz UEMCDCQWXYPJAQ-UHFFFAOYSA-N -1 3 279.775 3.002 20 0 CGADHM C[C@@H]1CN(C(=O)c2ccccc2[O-])[C@@H]2CCCC[C@@H]21 ZINC000183774727 296928467 /nfs/dbraw/zinc/92/84/67/296928467.db2.gz ZPQQARLNRCHFJN-YRGRVCCFSA-N -1 3 259.349 3.043 20 0 CGADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@H]1C[C@@H]1C1CC1 ZINC000134218109 287438181 /nfs/dbraw/zinc/43/81/81/287438181.db2.gz LXSSCVZKHJBHJR-ZJUUUORDSA-N -1 3 285.265 3.396 20 0 CGADHM C[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccccc2F)CC1 ZINC000227307042 287491162 /nfs/dbraw/zinc/49/11/62/287491162.db2.gz KBEMXXIGSQFOTD-NEPJUHHUSA-N -1 3 285.384 3.073 20 0 CGADHM C[C@@H]1CCCN(CCOc2ccc(C(=O)[O-])cc2Cl)C1 ZINC000652366702 418957900 /nfs/dbraw/zinc/95/79/00/418957900.db2.gz KBUUBYDBOGWLFQ-LLVKDONJSA-N -1 3 297.782 3.149 20 0 CGADHM Cc1cnc(-c2noc(-c3ccc(C(C)C)cc3[O-])n2)cn1 ZINC000665021294 419038645 /nfs/dbraw/zinc/03/86/45/419038645.db2.gz UCLAAMBNWIYLDX-UHFFFAOYSA-N -1 3 296.330 3.331 20 0 CGADHM CC(C)(CC(=O)[O-])NCc1ccc(-c2ccccc2F)o1 ZINC000653504759 419040025 /nfs/dbraw/zinc/04/00/25/419040025.db2.gz IIYKAOFVPLMPFI-UHFFFAOYSA-N -1 3 291.322 3.429 20 0 CGADHM CC[C@H](NC(=O)c1cc([O-])ccc1Cl)[C@@H]1CCCCO1 ZINC000655348514 419042637 /nfs/dbraw/zinc/04/26/37/419042637.db2.gz OAWLKJBODXBKAK-KBPBESRZSA-N -1 3 297.782 3.123 20 0 CGADHM O=C(c1ccc2n[n-]nc2c1)N1CCC[C@@H]1CC1CCCC1 ZINC000655368826 419044029 /nfs/dbraw/zinc/04/40/29/419044029.db2.gz YJAQSQBRXFLYSJ-CQSZACIVSA-N -1 3 298.390 3.143 20 0 CGADHM CN(Cc1occc1C(=O)[O-])C[C@@H]1CCc2ccccc21 ZINC000659803667 418995906 /nfs/dbraw/zinc/99/59/06/418995906.db2.gz LTEQYCMOZJQCNI-ZDUSSCGKSA-N -1 3 285.343 3.140 20 0 CGADHM CCc1nc(C)c(C(=O)[N-]c2ncccc2SC)s1 ZINC000652875961 418997348 /nfs/dbraw/zinc/99/73/48/418997348.db2.gz CXKIJCNIYODFDK-UHFFFAOYSA-N -1 3 293.417 3.383 20 0 CGADHM CSc1cccnc1[N-]C(=O)c1c(C)nsc1C ZINC000652877844 418999046 /nfs/dbraw/zinc/99/90/46/418999046.db2.gz JBTZHFDTBQXDTC-UHFFFAOYSA-N -1 3 279.390 3.129 20 0 CGADHM COC1(C(=O)Nc2ccc(C)cc2[O-])CCC(F)(F)CC1 ZINC000665202985 419080073 /nfs/dbraw/zinc/08/00/73/419080073.db2.gz URBDWTLTAAYYFA-UHFFFAOYSA-N -1 3 299.317 3.234 20 0 CGADHM [O-]c1ccccc1-c1nc([C@@H]2CCC[C@@H]3C[C@@H]32)no1 ZINC000656046478 419135813 /nfs/dbraw/zinc/13/58/13/419135813.db2.gz AFFGBNQVBBMKSI-FOGDFJRCSA-N -1 3 256.305 3.346 20 0 CGADHM Cc1cc([N-]C(=O)[C@H](C)Nc2ccc(Cl)c(C)c2)on1 ZINC000656128395 419144463 /nfs/dbraw/zinc/14/44/63/419144463.db2.gz XKYOVCHCFNWNHH-JTQLQIEISA-N -1 3 293.754 3.384 20 0 CGADHM CC1(C(=O)[O-])CCN(CCCc2c(F)cccc2F)CC1 ZINC000655930211 419127431 /nfs/dbraw/zinc/12/74/31/419127431.db2.gz LFBRNCXQFVYHOR-UHFFFAOYSA-N -1 3 297.345 3.084 20 0 CGADHM O=C([O-])c1cccc(CN2CCC(C3CCC3)CC2)c1 ZINC000656759197 419210875 /nfs/dbraw/zinc/21/08/75/419210875.db2.gz XCUAVKISBYADSE-UHFFFAOYSA-N -1 3 273.376 3.397 20 0 CGADHM COc1cccc(CN2CCC[C@](C)(C(=O)[O-])C2)c1Cl ZINC000656758117 419211519 /nfs/dbraw/zinc/21/15/19/419211519.db2.gz ZGYCETQNCGDMES-HNNXBMFYSA-N -1 3 297.782 3.035 20 0 CGADHM COc1ccc([C@@H]2CCCN2CCCCC(=O)[O-])cc1F ZINC000656764479 419212838 /nfs/dbraw/zinc/21/28/38/419212838.db2.gz YFBWRMNBEATFHM-AWEZNQCLSA-N -1 3 295.354 3.226 20 0 CGADHM O=C([O-])[C@@H]1CCN(CC2=CCCC2)[C@@H]2CCCC[C@H]12 ZINC000656769076 419213218 /nfs/dbraw/zinc/21/32/18/419213218.db2.gz YBDUTWQYLZEFOU-RBSFLKMASA-N -1 3 263.381 3.062 20 0 CGADHM CC1(C)CCN(Cc2nc(C(=O)[O-])cs2)CC(C)(C)C1 ZINC000656767030 419213300 /nfs/dbraw/zinc/21/33/00/419213300.db2.gz QHIUWGYMSVZSJP-UHFFFAOYSA-N -1 3 296.436 3.490 20 0 CGADHM CC(C)(C)O[C@H]1C[C@H](NCc2ncccc2[O-])C12CCC2 ZINC000661838581 419303408 /nfs/dbraw/zinc/30/34/08/419303408.db2.gz HEFQODVAFQMSGD-GJZGRUSLSA-N -1 3 290.407 3.003 20 0 CGADHM O=C([O-])c1ccc(CN2CC3CC2(c2ccccc2)C3)o1 ZINC000663317946 419555186 /nfs/dbraw/zinc/55/51/86/419555186.db2.gz RSJVFXIEENAODA-UHFFFAOYSA-N -1 3 283.327 3.099 20 0 CGADHM CCCC[C@@H](CCC)NC(=O)c1ccc(O)cc1[O-] ZINC000226197452 287633670 /nfs/dbraw/zinc/63/36/70/287633670.db2.gz FCPNWAVDHNQTQN-LLVKDONJSA-N -1 3 265.353 3.187 20 0 CGADHM C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1C(=O)Nc1ccc([O-])cc1Cl ZINC000226743416 287635601 /nfs/dbraw/zinc/63/56/01/287635601.db2.gz XCOSLPQBKPDTKE-VXFNFUGZSA-N -1 3 283.755 3.044 20 0 CGADHM CC[C@H](C)[C@@H](C)N(C(=O)/C=C/c1cncc([O-])c1)C1CC1 ZINC000179482603 260051457 /nfs/dbraw/zinc/05/14/57/260051457.db2.gz HMWJVVAOXZDCPO-DGYDABPTSA-N -1 3 288.391 3.226 20 0 CGADHM Cc1cccc(C(=O)N[C@H](C)CCc2ccco2)c1[O-] ZINC000042306546 270032110 /nfs/dbraw/zinc/03/21/10/270032110.db2.gz QSPUTXBUKOKBPL-GFCCVEGCSA-N -1 3 273.332 3.045 20 0 CGADHM Cc1ccc(C(=O)N[C@H](C)CCc2ccco2)c([O-])c1 ZINC000042306564 270032166 /nfs/dbraw/zinc/03/21/66/270032166.db2.gz PIYBRUNJVLDBSZ-GFCCVEGCSA-N -1 3 273.332 3.045 20 0 CGADHM CC[C@H]1CCCC[C@@H]1NC(=O)c1cccc(OC)c1[O-] ZINC000042431708 270032880 /nfs/dbraw/zinc/03/28/80/270032880.db2.gz NDVBNGGFVKRNOK-AAEUAGOBSA-N -1 3 277.364 3.099 20 0 CGADHM CC(C)[C@H]1C[C@@H]1C(=O)Nc1cc(Br)ccc1[O-] ZINC000185623115 270063690 /nfs/dbraw/zinc/06/36/90/270063690.db2.gz PTLYUURKQZWWJM-ZJUUUORDSA-N -1 3 298.180 3.385 20 0 CGADHM CC(C)[C@@]1(C)C[C@@H]1C(=O)N1CCCc2cccc([O-])c21 ZINC000186625534 270066757 /nfs/dbraw/zinc/06/67/57/270066757.db2.gz GEFSEOHQYFUMEV-CXAGYDPISA-N -1 3 273.376 3.354 20 0 CGADHM CCc1ccccc1S(=O)(=O)[N-]c1ccc(F)cc1F ZINC000187169751 270067996 /nfs/dbraw/zinc/06/79/96/270067996.db2.gz YQEXQSSAKLYHRP-UHFFFAOYSA-N -1 3 297.326 3.328 20 0 CGADHM COCc1cccc(CC(=O)Nc2ccc(C)cc2[O-])c1 ZINC000188887192 270070255 /nfs/dbraw/zinc/07/02/55/270070255.db2.gz XYHXMDHOYKVYNM-UHFFFAOYSA-N -1 3 285.343 3.028 20 0 CGADHM COc1cccc([C@@H](C)C(=O)Nc2ccc(C)cc2[O-])c1 ZINC000193603916 270079242 /nfs/dbraw/zinc/07/92/42/270079242.db2.gz QABFVQLGCBLYNL-GFCCVEGCSA-N -1 3 285.343 3.451 20 0 CGADHM CC[C@@H](NC(=O)c1cccc([O-])c1)c1ccc(OC)cc1 ZINC000194446310 270081960 /nfs/dbraw/zinc/08/19/60/270081960.db2.gz XRXBLXNHUCDPBW-MRXNPFEDSA-N -1 3 285.343 3.282 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2nnc(CC(C)C)s2)c1 ZINC000219992566 270085757 /nfs/dbraw/zinc/08/57/57/270085757.db2.gz ASQDCLINXXBFPN-UHFFFAOYSA-N -1 3 291.376 3.003 20 0 CGADHM COc1cccc(C(=O)N[C@H]2CCC[C@@H](C)CC2)c1[O-] ZINC000227535662 270086880 /nfs/dbraw/zinc/08/68/80/270086880.db2.gz ZKBXUDZIXBYOCD-NEPJUHHUSA-N -1 3 277.364 3.099 20 0 CGADHM CS[C@H]1CCC[C@@H](NC(=O)c2cccc(C)c2[O-])C1 ZINC000227354614 270086888 /nfs/dbraw/zinc/08/68/88/270086888.db2.gz HBVMINKPXAEVAP-NEPJUHHUSA-N -1 3 279.405 3.105 20 0 CGADHM CS[C@H]1CCC[C@@H](NC(=O)c2cc(C)ccc2[O-])C1 ZINC000227355176 270087106 /nfs/dbraw/zinc/08/71/06/270087106.db2.gz BHKIBVPVVGTSIT-NEPJUHHUSA-N -1 3 279.405 3.105 20 0 CGADHM CCc1cc(C)c(-c2nc(-c3ccc4n[n-]nc4c3)no2)o1 ZINC000516229960 270097364 /nfs/dbraw/zinc/09/73/64/270097364.db2.gz IYHZIULCHUPIEY-UHFFFAOYSA-N -1 3 295.302 3.139 20 0 CGADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1)C(C)(C)C ZINC000521557741 270102628 /nfs/dbraw/zinc/10/26/28/270102628.db2.gz VORQUMJFNKLLGE-GFCCVEGCSA-N -1 3 291.363 3.068 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-]C2(C)CCC(C)CC2)c(F)c1 ZINC000524593363 270113563 /nfs/dbraw/zinc/11/35/63/270113563.db2.gz VUJFDHOJFLCNKL-UHFFFAOYSA-N -1 3 299.411 3.381 20 0 CGADHM C[C@H](C(=O)[N-][C@H](C(C)(C)C)C(F)(F)F)C(F)(F)F ZINC000524772074 270114851 /nfs/dbraw/zinc/11/48/51/270114851.db2.gz MPEBCNWZEHYJSK-IYSWYEEDSA-N -1 3 279.224 3.278 20 0 CGADHM C[C@@]1(Br)C[C@H]1c1nc(-c2ccc([O-])cc2)no1 ZINC000528156122 270156067 /nfs/dbraw/zinc/15/60/67/270156067.db2.gz MEBTZUQRIUKFIQ-JOYOIKCWSA-N -1 3 295.136 3.083 20 0 CGADHM C[C@@H]1[C@H](c2nc(-c3ccc([O-])cc3)no2)[C@H]1C1CC1 ZINC000528156106 270156176 /nfs/dbraw/zinc/15/61/76/270156176.db2.gz MDUKKDTXYRAYRP-CKLFPEKLSA-N -1 3 256.305 3.202 20 0 CGADHM CCC[C@@H](OCC)c1nc(-c2ccc([O-])c(OC)c2)no1 ZINC000528168781 270156293 /nfs/dbraw/zinc/15/62/93/270156293.db2.gz WWPFEBXITVBPAP-GFCCVEGCSA-N -1 3 292.335 3.329 20 0 CGADHM COCCC1CCN(Cc2cccc([O-])c2Cl)CC1 ZINC000529638763 270186493 /nfs/dbraw/zinc/18/64/93/270186493.db2.gz XCYTYZQFVKKWSX-UHFFFAOYSA-N -1 3 283.799 3.294 20 0 CGADHM Cc1cc(C(=O)NCC[C@@H]2CC=CCC2)ccc1[O-] ZINC000529865205 270190208 /nfs/dbraw/zinc/19/02/08/270190208.db2.gz BHKOVQUKDIXGRD-CYBMUJFWSA-N -1 3 259.349 3.177 20 0 CGADHM O=C(NCC[C@@H]1CC=CCC1)c1cc(=O)c2ccccc2[n-]1 ZINC000529872756 270190821 /nfs/dbraw/zinc/19/08/21/270190821.db2.gz XCTBIWGQJNKJLY-CYBMUJFWSA-N -1 3 296.370 3.004 20 0 CGADHM O=C([O-])[C@@H]1c2ccoc2CCN1CCCC1CCCC1 ZINC000530167138 270195164 /nfs/dbraw/zinc/19/51/64/270195164.db2.gz UMGUBYGZQGHTTB-HNNXBMFYSA-N -1 3 277.364 3.234 20 0 CGADHM CCC(CC)N(C(=O)NCc1ccc([O-])c(F)c1)C1CC1 ZINC000531156003 270204814 /nfs/dbraw/zinc/20/48/14/270204814.db2.gz MVMVBSJBFLXGQG-UHFFFAOYSA-N -1 3 294.370 3.394 20 0 CGADHM CC[C@H](C)[C@@H]1CCCCN1C(=O)c1ccc(O)cc1[O-] ZINC000265614618 287686186 /nfs/dbraw/zinc/68/61/86/287686186.db2.gz LXEHEJIMNYMNAX-FZMZJTMJSA-N -1 3 277.364 3.139 20 0 CGADHM CC(C)(C)SCC(=O)N1CCCc2cccc([O-])c21 ZINC000063063891 277221758 /nfs/dbraw/zinc/22/17/58/277221758.db2.gz PTSFLKFBZBBEHE-UHFFFAOYSA-N -1 3 279.405 3.203 20 0 CGADHM C[C@H]1CCN(C(=O)[C@@H]2CC23CC3)c2c([O-])cccc21 ZINC000335006689 278360846 /nfs/dbraw/zinc/36/08/46/278360846.db2.gz RNDCGUDWKATYKF-JQWIXIFHSA-N -1 3 257.333 3.033 20 0 CGADHM CC(C)CN(CCN(C)C)Cc1cccc([O-])c1Cl ZINC000328370767 278860286 /nfs/dbraw/zinc/86/02/86/278860286.db2.gz QHPKAQOUQHADPT-UHFFFAOYSA-N -1 3 284.831 3.065 20 0 CGADHM C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)c1c([O-])cccc1O ZINC000271423762 279004356 /nfs/dbraw/zinc/00/43/56/279004356.db2.gz ZUVHGSSUHIIEOM-OCCSQVGLSA-N -1 3 297.354 3.116 20 0 CGADHM Cc1ccc(NC(=O)[C@@H]2CCC(=O)c3ccccc32)c([O-])c1 ZINC000334368429 280904198 /nfs/dbraw/zinc/90/41/98/280904198.db2.gz SKFXHYKZLBUHDC-CQSZACIVSA-N -1 3 295.338 3.399 20 0 CGADHM CCc1ccc(C(=O)N2CCC(F)(F)C[C@H]2C)c([O-])c1 ZINC000530008377 288283124 /nfs/dbraw/zinc/28/31/24/288283124.db2.gz HDBIPCJLGXTZIG-SNVBAGLBSA-N -1 3 283.318 3.214 20 0 CGADHM CC[C@H]1CCCCN1C(=O)c1cc([O-])ccc1Cl ZINC000234062884 281048700 /nfs/dbraw/zinc/04/87/00/281048700.db2.gz QFBUBKJUMRDOFE-JTQLQIEISA-N -1 3 267.756 3.450 20 0 CGADHM CC1(C)CN(Cc2c(F)ccc([O-])c2F)[C@@H]1[C@H]1CCCO1 ZINC000294037588 281245756 /nfs/dbraw/zinc/24/57/56/281245756.db2.gz WBWYQZCZGUCTCG-UKRRQHHQSA-N -1 3 297.345 3.060 20 0 CGADHM CCc1c(C)sc2[n-]c(-c3cscn3)nc(=O)c12 ZINC000517190926 281368644 /nfs/dbraw/zinc/36/86/44/281368644.db2.gz TXJDTLDXYCBRRU-UHFFFAOYSA-N -1 3 277.374 3.391 20 0 CGADHM CCc1cc(C(=O)N2C[C@H](C)CC(C)(C)C2)ccc1[O-] ZINC000487005272 281380216 /nfs/dbraw/zinc/38/02/16/281380216.db2.gz FOAMDHYVYWJARY-GFCCVEGCSA-N -1 3 275.392 3.463 20 0 CGADHM CCc1ccc(C(=O)N2CC(C)(C)[C@@H]2C2CC2)c([O-])c1 ZINC000291815003 281394255 /nfs/dbraw/zinc/39/42/55/281394255.db2.gz BXMCQHIIUSWZQK-HNNXBMFYSA-N -1 3 273.376 3.215 20 0 CGADHM C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1cccc([O-])c1F ZINC000536463572 288481788 /nfs/dbraw/zinc/48/17/88/288481788.db2.gz QVZYJLYWZYFYDD-SECBINFHSA-N -1 3 293.269 3.076 20 0 CGADHM CCc1ccc([O-])c(C(=O)N(CC(F)F)C(C)C)c1 ZINC000537665669 288542760 /nfs/dbraw/zinc/54/27/60/288542760.db2.gz ZXJJNTYMTFRVEK-UHFFFAOYSA-N -1 3 271.307 3.070 20 0 CGADHM CC(C)c1noc(-c2cc3c(cc2[O-])CCCC3)n1 ZINC000546261520 288921688 /nfs/dbraw/zinc/92/16/88/288921688.db2.gz ZOFUEDJXKJTLEW-UHFFFAOYSA-N -1 3 258.321 3.444 20 0 CGADHM CCc1cccc(C(=O)N2CC[C@H](C)[C@H]2CC)c1[O-] ZINC000547820035 288978521 /nfs/dbraw/zinc/97/85/21/288978521.db2.gz UWJDJAWVCNLHNF-SMDDNHRTSA-N -1 3 261.365 3.215 20 0 CGADHM Cc1ccc2c(COc3nc(C(C)C)no3)ccc([O-])c2n1 ZINC000548932585 289029648 /nfs/dbraw/zinc/02/96/48/289029648.db2.gz OLLRGDZHYCWLKT-UHFFFAOYSA-N -1 3 299.330 3.334 20 0 CGADHM CSc1ccc(C)c(C(=O)N=c2cc3ccccn3[n-]2)c1 ZINC000553317906 289218646 /nfs/dbraw/zinc/21/86/46/289218646.db2.gz SPUZXNPEGBEMOC-UHFFFAOYSA-N -1 3 297.383 3.039 20 0 CGADHM CC(=O)c1cccc(NC(=O)c2ccc(C)cc2C)c1[O-] ZINC000560551569 289604545 /nfs/dbraw/zinc/60/45/45/289604545.db2.gz ZRALAFOLAGENHG-UHFFFAOYSA-N -1 3 283.327 3.464 20 0 CGADHM O=C(CCc1ccccn1)Nc1c([O-])cccc1Cl ZINC000560818367 289617160 /nfs/dbraw/zinc/61/71/60/289617160.db2.gz HGRCARGJKUJOAP-UHFFFAOYSA-N -1 3 276.723 3.012 20 0 CGADHM CCc1cccc(C(=O)N2CC[C@@]3(C)[C@@H](C2)C3(F)F)c1[O-] ZINC000560933693 289620308 /nfs/dbraw/zinc/62/03/08/289620308.db2.gz BRVSWROBIPLYQU-DOMZBBRYSA-N -1 3 295.329 3.072 20 0 CGADHM Cc1cccc(C(=O)N2CC[C@H](C)C(C)(C)C2)c1[O-] ZINC000436955718 301952222 /nfs/dbraw/zinc/95/22/22/301952222.db2.gz LYRYWQNJAQHVDE-LBPRGKRZSA-N -1 3 261.365 3.209 20 0 CGADHM Cc1cccc2c1ncc(C)c2N1CCC[C@H](C(=O)[O-])C1 ZINC000263377613 302067368 /nfs/dbraw/zinc/06/73/68/302067368.db2.gz BSMJQAPYXNKEJN-ZDUSSCGKSA-N -1 3 284.359 3.153 20 0 CGADHM CCc1ncsc1NC(=O)c1ccc(C)c(C)c1[O-] ZINC000154027325 321733227 /nfs/dbraw/zinc/73/32/27/321733227.db2.gz LZRSPTZHTUWOJS-UHFFFAOYSA-N -1 3 276.361 3.280 20 0 CGADHM CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(C)cc1F ZINC000404853905 321971244 /nfs/dbraw/zinc/97/12/44/321971244.db2.gz ADUGQUBGNPDUDH-JSGCOSHPSA-N -1 3 299.411 3.381 20 0 CGADHM C[C@H]1CC[C@H](C)N1Cc1cc(C(=O)[O-])ccc1Cl ZINC000563284000 321988690 /nfs/dbraw/zinc/98/86/90/321988690.db2.gz QKRLEVMDIGXFMF-UWVGGRQHSA-N -1 3 267.756 3.411 20 0 CGADHM CC(C)SCC(=O)Nc1c([O-])cccc1Cl ZINC000563396976 321995015 /nfs/dbraw/zinc/99/50/15/321995015.db2.gz KMMLDDNDGVOIOT-UHFFFAOYSA-N -1 3 259.758 3.126 20 0 CGADHM Cc1cccc2c1CC[C@@H]2NCc1ccc(C(=O)[O-])cc1 ZINC000563688885 322007024 /nfs/dbraw/zinc/00/70/24/322007024.db2.gz ANZNFYCDGAJGHR-KRWDZBQOSA-N -1 3 281.355 3.470 20 0 CGADHM C[C@@H]1C[C@]1(NCc1ncccc1[O-])c1ccc(Cl)cc1 ZINC000564004934 322018044 /nfs/dbraw/zinc/01/80/44/322018044.db2.gz MLTPMWSWROLDOB-BDJLRTHQSA-N -1 3 288.778 3.466 20 0 CGADHM C[C@]1(c2ccccc2)CCN(Cc2cc(C(=O)[O-])co2)C1 ZINC000565662792 322086144 /nfs/dbraw/zinc/08/61/44/322086144.db2.gz LWVOHHDRFKTRBJ-KRWDZBQOSA-N -1 3 285.343 3.141 20 0 CGADHM CC(C)(CC(=O)[O-])NCc1cccc(Cl)c1Cl ZINC000566418127 322121627 /nfs/dbraw/zinc/12/16/27/322121627.db2.gz BUFPSWYRZKUDIA-UHFFFAOYSA-N -1 3 276.163 3.336 20 0 CGADHM O=C(c1cc([O-])c2ccccc2c1)N1CCC[C@@H](F)C1 ZINC000567744709 322175651 /nfs/dbraw/zinc/17/56/51/322175651.db2.gz QUTMLDJSVWDNKF-CYBMUJFWSA-N -1 3 273.307 3.120 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)C2(CF)CCC2)c1[O-] ZINC000567961671 322185937 /nfs/dbraw/zinc/18/59/37/322185937.db2.gz RKWFUZUUJUDHBT-UHFFFAOYSA-N -1 3 271.719 3.432 20 0 CGADHM COCCN(Cc1cc(C(=O)[O-])ccc1Cl)CC(C)C ZINC000568060908 322190518 /nfs/dbraw/zinc/19/05/18/322190518.db2.gz SRTIKTSOSBJMRW-UHFFFAOYSA-N -1 3 299.798 3.143 20 0 CGADHM CC1CCN(Cc2cc(C(=O)[O-])ccc2Cl)CC1 ZINC000568060999 322190772 /nfs/dbraw/zinc/19/07/72/322190772.db2.gz WHUWKOYGESGCAQ-UHFFFAOYSA-N -1 3 267.756 3.270 20 0 CGADHM O=C([O-])c1ccc(CN2CCS[C@@H]3CCCC[C@H]32)s1 ZINC000568067328 322191813 /nfs/dbraw/zinc/19/18/13/322191813.db2.gz RPKSJLYAALQBTQ-VXGBXAGGSA-N -1 3 297.445 3.306 20 0 CGADHM CC1(C)CCC[C@H](CNCc2cc(C(=O)[O-])co2)C1 ZINC000568706623 322219211 /nfs/dbraw/zinc/21/92/11/322219211.db2.gz DXLGQDBASZAJKM-NSHDSACASA-N -1 3 265.353 3.284 20 0 CGADHM CCc1cccc(CN[C@@H](C(=O)[O-])c2ccc(C)cc2)c1 ZINC000569697359 322254791 /nfs/dbraw/zinc/25/47/91/322254791.db2.gz ONLYODDIUUDBIJ-QGZVFWFLSA-N -1 3 283.371 3.473 20 0 CGADHM Cc1ccc2c(c1)CN([C@H](C(=O)[O-])c1ccccc1)CCO2 ZINC000571658541 322304413 /nfs/dbraw/zinc/30/44/13/322304413.db2.gz LPYVPZADVXOQGN-KRWDZBQOSA-N -1 3 297.354 3.015 20 0 CGADHM CCc1cc(C(=O)Nc2cc3c[nH]nc3cc2C)ccc1[O-] ZINC000572248725 322327309 /nfs/dbraw/zinc/32/73/09/322327309.db2.gz NYAQPPFCKZYOEI-UHFFFAOYSA-N -1 3 295.342 3.392 20 0 CGADHM C[C@@H]1CC[C@H](C)N1Cc1cccc(C(=O)[O-])c1Cl ZINC000572414986 322336120 /nfs/dbraw/zinc/33/61/20/322336120.db2.gz QWLGJIUYTOYEPY-AOOOYVTPSA-N -1 3 267.756 3.411 20 0 CGADHM CC(C)(CC(=O)[O-])NCc1ccc(F)c(Cl)c1Cl ZINC000572659894 322348979 /nfs/dbraw/zinc/34/89/79/322348979.db2.gz SPPNRQNPFVQZLO-UHFFFAOYSA-N -1 3 294.153 3.475 20 0 CGADHM Cc1ccccc1OCCN(C)Cc1ccccc1C(=O)[O-] ZINC000572848302 322357916 /nfs/dbraw/zinc/35/79/16/322357916.db2.gz DVVSNFGEJVZKNH-UHFFFAOYSA-N -1 3 299.370 3.204 20 0 CGADHM CC(C)n1c(C2CCCC2)n[n-]c1=NC(C)(C)C ZINC000574608695 322448734 /nfs/dbraw/zinc/44/87/34/322448734.db2.gz DJNPSLIUWQMDMM-UHFFFAOYSA-N -1 3 250.390 3.149 20 0 CGADHM CO[C@H]1CCC[C@@H](C(=O)Nc2c([O-])cccc2Cl)C1 ZINC000575760734 322488701 /nfs/dbraw/zinc/48/87/01/322488701.db2.gz WVGMNDPKESGXQQ-ZJUUUORDSA-N -1 3 283.755 3.189 20 0 CGADHM CCO[C@H](CC)C(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000584278764 327210975 /nfs/dbraw/zinc/21/09/75/327210975.db2.gz RUZZSLNTYRSUQY-BXUZGUMPSA-N -1 3 277.364 3.048 20 0 CGADHM CCO[C@@H]1C[C@@H](N(C)Cc2ccsc2C(=O)[O-])C1(C)C ZINC000583446102 327371550 /nfs/dbraw/zinc/37/15/50/327371550.db2.gz OSSWECZODJYKPF-VXGBXAGGSA-N -1 3 297.420 3.082 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N2CC=C(C(C)(C)C)CC2)n1 ZINC000582885234 329285119 /nfs/dbraw/zinc/28/51/19/329285119.db2.gz BRPLHSPZUWIYTO-LBPRGKRZSA-N -1 3 275.396 3.230 20 0 CGADHM CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)Cc1cncc([O-])c1 ZINC000583033611 329305330 /nfs/dbraw/zinc/30/53/30/329305330.db2.gz FKMFWJSFBADNNR-LSDHHAIUSA-N -1 3 290.407 3.051 20 0 CGADHM CCCC[C@@H](N)C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000232398660 329385322 /nfs/dbraw/zinc/38/53/22/329385322.db2.gz LPBFIQBAJKGMLN-SNVBAGLBSA-N -1 3 291.178 3.155 20 0 CGADHM CC(=O)c1cccc(NC(=O)[C@H](C)CC(F)(F)F)c1[O-] ZINC000583874230 329523689 /nfs/dbraw/zinc/52/36/89/329523689.db2.gz MYNRQSLZZDEVQM-SSDOTTSWSA-N -1 3 289.253 3.122 20 0 CGADHM [O-]c1cccnc1CN[C@H](c1ccccc1)c1ccccn1 ZINC000580498490 330351059 /nfs/dbraw/zinc/35/10/59/330351059.db2.gz SBHBKJXEPIBBBO-GOSISDBHSA-N -1 3 291.354 3.061 20 0 CGADHM O=C(CCOCc1ccccc1)Nc1cc(F)ccc1[O-] ZINC000174869749 335167953 /nfs/dbraw/zinc/16/79/53/335167953.db2.gz PPNZEMBFIJNGQH-UHFFFAOYSA-N -1 3 289.306 3.077 20 0 CGADHM Cc1noc(Cl)c1CCC(=O)Nc1cc(F)ccc1[O-] ZINC000174873491 335168175 /nfs/dbraw/zinc/16/81/75/335168175.db2.gz QCQQSAMPJPYHLH-UHFFFAOYSA-N -1 3 298.701 3.052 20 0 CGADHM CC[C@H](C)Oc1ccc(C(=O)Nc2ncccc2[O-])cc1 ZINC000176120608 335240758 /nfs/dbraw/zinc/24/07/58/335240758.db2.gz BYUSUJFKHBPQHX-NSHDSACASA-N -1 3 286.331 3.217 20 0 CGADHM O=C(Nc1cc(C(F)(F)F)ccc1[O-])[C@H]1C[C@H]1C1CC1 ZINC000176121573 335241140 /nfs/dbraw/zinc/24/11/40/335241140.db2.gz TVNUWHMTDSWYGK-UWVGGRQHSA-N -1 3 285.265 3.396 20 0 CGADHM Cc1ccccc1C[C@@H](C)N(C)Cc1occc1C(=O)[O-] ZINC000576998651 335275995 /nfs/dbraw/zinc/27/59/95/335275995.db2.gz MGKXGGZRXCSANE-CYBMUJFWSA-N -1 3 287.359 3.349 20 0 CGADHM CCCN(C[C@H]1CCCCO1)[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC000577521644 335364375 /nfs/dbraw/zinc/36/43/75/335364375.db2.gz LMTGYAOUXRBWBJ-QWHCGFSZSA-N -1 3 295.379 3.320 20 0 CGADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCC1 ZINC000177391946 335371571 /nfs/dbraw/zinc/37/15/71/335371571.db2.gz PDUJZXYLEHQCKG-UHFFFAOYSA-N -1 3 269.300 3.030 20 0 CGADHM CC(C)(CC(=O)[O-])NCc1cc(Cl)sc1Cl ZINC000577646583 335385522 /nfs/dbraw/zinc/38/55/22/335385522.db2.gz PHDUMDXUWCBLRC-UHFFFAOYSA-N -1 3 282.192 3.398 20 0 CGADHM CCOc1cc(-c2noc(C[C@H]3C[C@H]3C)n2)ccc1[O-] ZINC000350563965 335514264 /nfs/dbraw/zinc/51/42/64/335514264.db2.gz DJUPZLHSJJLGKK-MWLCHTKSSA-N -1 3 274.320 3.039 20 0 CGADHM COc1cc(-c2noc(-c3ccc(C)o3)n2)ccc1[O-] ZINC000350575432 335515831 /nfs/dbraw/zinc/51/58/31/335515831.db2.gz ICKPIBRIZWDDGX-UHFFFAOYSA-N -1 3 272.260 3.019 20 0 CGADHM Cc1cccc([N-]S(=O)(=O)c2cc(F)ccc2C)c1F ZINC000180019062 335541477 /nfs/dbraw/zinc/54/14/77/335541477.db2.gz ALKFUZUFAJBMLV-UHFFFAOYSA-N -1 3 297.326 3.382 20 0 CGADHM CCn1ccc(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])n1 ZINC000578195652 335553138 /nfs/dbraw/zinc/55/31/38/335553138.db2.gz HEMACHCSTLFKPY-UHFFFAOYSA-N -1 3 287.363 3.158 20 0 CGADHM [O-]c1cccnc1CSc1ncccc1Br ZINC000579310640 335733093 /nfs/dbraw/zinc/73/30/93/335733093.db2.gz CVGHNIDCRKGHCS-UHFFFAOYSA-N -1 3 297.177 3.237 20 0 CGADHM O=C(Nc1ccccc1[O-])c1c[nH]c2cc(F)ccc12 ZINC000181074409 335749805 /nfs/dbraw/zinc/74/98/05/335749805.db2.gz WIHRCQMISSGPQS-UHFFFAOYSA-N -1 3 270.263 3.265 20 0 CGADHM CCC[C@@H]1C[C@H](C(=O)Nc2cccc([O-])c2F)CCO1 ZINC000182949969 335852533 /nfs/dbraw/zinc/85/25/33/335852533.db2.gz LQDUOXVOHXSAEA-GHMZBOCLSA-N -1 3 281.327 3.065 20 0 CGADHM CCc1cccc(C(=O)NCCCC(C)(F)F)c1[O-] ZINC000580815391 335970038 /nfs/dbraw/zinc/97/00/38/335970038.db2.gz NJOGALYMNKIMFF-UHFFFAOYSA-N -1 3 271.307 3.120 20 0 CGADHM O=c1cc(CSCc2ccc(F)cn2)nc(C2CC2)[n-]1 ZINC000581062060 336002177 /nfs/dbraw/zinc/00/21/77/336002177.db2.gz KELYGAWZYONYOS-UHFFFAOYSA-N -1 3 291.351 3.027 20 0 CGADHM Cc1ccc(NC(=O)C(=O)c2ccc3c(c2)CCC3)c([O-])c1 ZINC000195146281 336047415 /nfs/dbraw/zinc/04/74/15/336047415.db2.gz CVXCRRGMTGSCEU-UHFFFAOYSA-N -1 3 295.338 3.011 20 0 CGADHM CCc1oc(C(=O)[O-])cc1CN1C[C@H](C)CC[C@H]1C ZINC000581949188 336175148 /nfs/dbraw/zinc/17/51/48/336175148.db2.gz SAFLSHKOLRDKLR-GHMZBOCLSA-N -1 3 265.353 3.161 20 0 CGADHM COc1cccc([C@@H](CC(=O)[O-])NCc2ccccc2)c1 ZINC000426762841 533715431 /nfs/dbraw/zinc/71/54/31/533715431.db2.gz NZGKCFGKPRXSRV-MRXNPFEDSA-N -1 3 285.343 3.001 20 0 CGADHM CC(C)CC1(C(=O)N=c2cc(-c3ccccc3)[n-][nH]2)CC1 ZINC000443317962 500606497 /nfs/dbraw/zinc/60/64/97/500606497.db2.gz SNGVJPZCBXNYDH-UHFFFAOYSA-N -1 3 283.375 3.263 20 0 CGADHM Cc1cc(C(=O)NCc2ccccc2OC(C)C)ccc1[O-] ZINC000436926624 534061323 /nfs/dbraw/zinc/06/13/23/534061323.db2.gz NOXLCJGLRMTJTK-UHFFFAOYSA-N -1 3 299.370 3.418 20 0 CGADHM Cc1ccc(-c2nc(-c3n[nH]c4ccccc43)no2)c([O-])c1 ZINC000436929931 534205655 /nfs/dbraw/zinc/20/56/55/534205655.db2.gz VXWNDEGOUDMKED-UHFFFAOYSA-N -1 3 292.298 3.294 20 0 CGADHM COC(=O)[C@@H](C)SCc1ccc([O-])c2nc(C)ccc12 ZINC000427251015 534233083 /nfs/dbraw/zinc/23/30/83/534233083.db2.gz RGDSGOIFBZFAOD-SNVBAGLBSA-N -1 3 291.372 3.044 20 0 CGADHM Cc1ccc(C(=O)N2CC(C)(C)C[C@H]2C)c([O-])c1C ZINC000412785408 534260614 /nfs/dbraw/zinc/26/06/14/534260614.db2.gz SJVSCNYQEDHURU-LLVKDONJSA-N -1 3 261.365 3.270 20 0 CGADHM Cc1ccc2c(CSc3ncc[nH]3)ccc([O-])c2n1 ZINC000427804933 534392451 /nfs/dbraw/zinc/39/24/51/534392451.db2.gz OEQJJOYJLLJCTH-UHFFFAOYSA-N -1 3 271.345 3.264 20 0 CGADHM Cc1ccoc1CN[C@@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000426759690 534446054 /nfs/dbraw/zinc/44/60/54/534446054.db2.gz XJWVPGUTQJUMFS-SWLSCSKDSA-N -1 3 273.332 3.140 20 0 CGADHM Cc1nsc(C)c1-c1noc(-c2ccc(C)cc2[O-])n1 ZINC000436797194 534497806 /nfs/dbraw/zinc/49/78/06/534497806.db2.gz YTLYYBMULKGPGB-UHFFFAOYSA-N -1 3 287.344 3.491 20 0 CGADHM Cc1ccc2sc(C(=O)NCc3ncccc3[O-])cc2c1 ZINC000356104976 534542528 /nfs/dbraw/zinc/54/25/28/534542528.db2.gz HVNDCPABKWPYLK-UHFFFAOYSA-N -1 3 298.367 3.240 20 0 CGADHM O=C(NC[C@@H]1CCC2(CCCCC2)O1)c1ccccc1[O-] ZINC000436531047 534554861 /nfs/dbraw/zinc/55/48/61/534554861.db2.gz DISZOVDRYFHCQJ-ZDUSSCGKSA-N -1 3 289.375 3.004 20 0 CGADHM Cc1cccc(C(=O)NC2(Cc3ccccc3)CC2)c1[O-] ZINC000436982702 534600649 /nfs/dbraw/zinc/60/06/49/534600649.db2.gz HOYDDCXLFUMHAW-UHFFFAOYSA-N -1 3 281.355 3.206 20 0 CGADHM CCc1cnc(C[N-]C(=O)C(F)(F)c2ccccc2)s1 ZINC000081206387 522024706 /nfs/dbraw/zinc/02/47/06/522024706.db2.gz KQVBPVAUSXYKIV-UHFFFAOYSA-N -1 3 296.342 3.114 20 0 CGADHM Cc1cccc(C(=O)NCc2c(F)cc(F)cc2F)c1[O-] ZINC000436648986 534608554 /nfs/dbraw/zinc/60/85/54/534608554.db2.gz PUMXCJPYRXTWKJ-UHFFFAOYSA-N -1 3 295.260 3.048 20 0 CGADHM Cc1cccc(C(=O)Nc2ccc(OC(C)C)nc2)c1[O-] ZINC000436823351 534625105 /nfs/dbraw/zinc/62/51/05/534625105.db2.gz AJXFPLAAJKFBJA-UHFFFAOYSA-N -1 3 286.331 3.135 20 0 CGADHM Cc1cncc(/C=C\c2nc(-c3ccc([O-])cc3)no2)c1 ZINC000436530118 534678589 /nfs/dbraw/zinc/67/85/89/534678589.db2.gz DAWLHTFWXYGQCB-UQCOIBPSSA-N -1 3 279.299 3.316 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)NC1CC(c2ccccc2)C1 ZINC000448900308 534700231 /nfs/dbraw/zinc/70/02/31/534700231.db2.gz YPAXVBQZWNWYRL-UHFFFAOYSA-N -1 3 299.345 3.136 20 0 CGADHM Cc1cnccc1[N-]S(=O)(=O)c1cccc(C(C)C)c1 ZINC000174005044 534713034 /nfs/dbraw/zinc/71/30/34/534713034.db2.gz UFIGMOPLLFJWGP-UHFFFAOYSA-N -1 3 290.388 3.314 20 0 CGADHM Cn1cc(Cl)cc1-c1nc(-c2ccc([O-])cc2)no1 ZINC000436767779 534736563 /nfs/dbraw/zinc/73/65/63/534736563.db2.gz IDRFAGDMJKGFGT-UHFFFAOYSA-N -1 3 275.695 3.101 20 0 CGADHM Cc1cccc(C(=O)N(C)[C@@H]2CCCC[C@H]2C)c1[O-] ZINC000055482093 524162325 /nfs/dbraw/zinc/16/23/25/524162325.db2.gz DSNKEARZTYUDJW-BXUZGUMPSA-N -1 3 261.365 3.351 20 0 CGADHM O=C(N[C@@H]1CC[C@@H]2CCC[C@H]2C1)c1ccccc1[O-] ZINC000436583356 534765522 /nfs/dbraw/zinc/76/55/22/534765522.db2.gz JLLSHMTUQIIXTK-RWMBFGLXSA-N -1 3 259.349 3.091 20 0 CGADHM CC(=O)c1cccc(NC(=O)/C=C/C2CCCC2)c1[O-] ZINC000493237740 534889589 /nfs/dbraw/zinc/88/95/89/534889589.db2.gz JJMNMKAYRYEWTR-MDZDMXLPSA-N -1 3 273.332 3.280 20 0 CGADHM CCCN(CC(C)C)C(=O)c1ccc(CC)cc1[O-] ZINC000436797174 527927328 /nfs/dbraw/zinc/92/73/28/527927328.db2.gz MPGRWRJOGZIGCQ-UHFFFAOYSA-N -1 3 263.381 3.463 20 0 CGADHM CCC[C@@]1(COC)CCCN1C(=O)c1cc(C)ccc1[O-] ZINC000436721477 527957567 /nfs/dbraw/zinc/95/75/67/527957567.db2.gz LPODXZDBMDGWJQ-KRWDZBQOSA-N -1 3 291.391 3.122 20 0 CGADHM CC(C)c1ccc(C(=O)N(C)CC2CCC2)c([O-])c1 ZINC000436559560 528058995 /nfs/dbraw/zinc/05/89/95/528058995.db2.gz XRMZKDQDTPWFAW-UHFFFAOYSA-N -1 3 261.365 3.388 20 0 CGADHM CC(C)c1ccc(C(=O)N[C@@H](C)c2ccccn2)c([O-])c1 ZINC000436930569 528075732 /nfs/dbraw/zinc/07/57/32/528075732.db2.gz YCWUCAYPAFJMIZ-LBPRGKRZSA-N -1 3 284.359 3.402 20 0 CGADHM CCCCCN(CCCOC)C(=O)c1ccc([O-])c(C)c1 ZINC000436628855 528170304 /nfs/dbraw/zinc/17/03/04/528170304.db2.gz RQHGLUKNYCUFHQ-UHFFFAOYSA-N -1 3 293.407 3.370 20 0 CGADHM CC(C)Oc1ccccc1CNC(=O)c1ccccc1[O-] ZINC000436817416 528255801 /nfs/dbraw/zinc/25/58/01/528255801.db2.gz BBGODPFTHOLINP-UHFFFAOYSA-N -1 3 285.343 3.109 20 0 CGADHM CC(C)Oc1ncccc1-c1noc(-c2ccccc2[O-])n1 ZINC000436685074 528277635 /nfs/dbraw/zinc/27/76/35/528277635.db2.gz ASMVDMBEFYAGAE-UHFFFAOYSA-N -1 3 297.314 3.291 20 0 CGADHM CCC[C@H]1CCCCN1C(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000412258924 528366427 /nfs/dbraw/zinc/36/64/27/528366427.db2.gz RWWLCHGDMHMQGW-AWEZNQCLSA-N -1 3 289.375 3.390 20 0 CGADHM CCNc1ncc(C(=O)Nc2cc(Cl)ccc2[O-])s1 ZINC000177099693 528447841 /nfs/dbraw/zinc/44/78/41/528447841.db2.gz GXNNSJUVJLVKIR-UHFFFAOYSA-N -1 3 297.767 3.186 20 0 CGADHM CCC[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000440378390 528530505 /nfs/dbraw/zinc/53/05/05/528530505.db2.gz FZEGFDHSZJCBSD-UHFFFAOYSA-N -1 3 283.780 3.182 20 0 CGADHM CCCCOc1ccc(C(=O)NCC[C@@H](C)F)c([O-])c1 ZINC000436545222 528664426 /nfs/dbraw/zinc/66/44/26/528664426.db2.gz MXLCEMJEKHYSOG-LLVKDONJSA-N -1 3 283.343 3.049 20 0 CGADHM CCOc1ccccc1CNCCc1ccccc1C(=O)[O-] ZINC000426646393 528730818 /nfs/dbraw/zinc/73/08/18/528730818.db2.gz JDIGKYXAIUQPDN-UHFFFAOYSA-N -1 3 299.370 3.116 20 0 CGADHM CCOc1nc(C)ccc1C(=O)Nc1ccc(C)cc1[O-] ZINC000358127243 528773754 /nfs/dbraw/zinc/77/37/54/528773754.db2.gz OEDFEOVKSFRTHV-UHFFFAOYSA-N -1 3 286.331 3.055 20 0 CGADHM CCCSC[C@H](NCc1ccc(Cl)s1)C(=O)[O-] ZINC000426810607 528831324 /nfs/dbraw/zinc/83/13/24/528831324.db2.gz JBEMKKLGIXRJNT-VIFPVBQESA-N -1 3 293.841 3.088 20 0 CGADHM CC[C@H](C)c1ncc(NC(=O)c2cccc(C)c2[O-])cn1 ZINC000436921995 529281157 /nfs/dbraw/zinc/28/11/57/529281157.db2.gz LQKYHCAICZAUJH-JTQLQIEISA-N -1 3 285.347 3.256 20 0 CGADHM CCN(C(=O)c1cccc([O-])c1)[C@@H]1CCCC[C@@H]1C ZINC000357431238 535699899 /nfs/dbraw/zinc/69/98/99/535699899.db2.gz LYHVAZDVCHQXOF-SWLSCSKDSA-N -1 3 261.365 3.433 20 0 CGADHM CCc1cc(C(=O)N(C)c2ccccc2)ccc1[O-] ZINC000485405822 536099682 /nfs/dbraw/zinc/09/96/82/536099682.db2.gz MHSXRULKJZRSTG-UHFFFAOYSA-N -1 3 255.317 3.231 20 0 CGADHM COc1ccc(NC(=O)[C@@H]2CC[C@H](C)[C@H](C)C2)c([O-])c1 ZINC000451030691 571717840 /nfs/dbraw/zinc/71/78/40/571717840.db2.gz YFBUVVZIBBLNOG-QJPTWQEYSA-N -1 3 277.364 3.412 20 0 CGADHM O=C([O-])[C@H](N[C@H]1CCc2ccc(F)cc21)c1ccccc1 ZINC000738521133 571829303 /nfs/dbraw/zinc/82/93/03/571829303.db2.gz MLDSNVWRPPPEGL-JKSUJKDBSA-N -1 3 285.318 3.229 20 0 CGADHM Cc1ccccc1[C@@H](C)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000737421870 572340984 /nfs/dbraw/zinc/34/09/84/572340984.db2.gz NIGHWTHRJCATEQ-LLVKDONJSA-N -1 3 297.337 3.487 20 0 CGADHM Cc1ccccc1[C@@H](C)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000737421870 572340990 /nfs/dbraw/zinc/34/09/90/572340990.db2.gz NIGHWTHRJCATEQ-LLVKDONJSA-N -1 3 297.337 3.487 20 0 CGADHM C[C@H](c1ccccc1F)N1CCC([C@H](C)NC(=O)[O-])CC1 ZINC000739021879 572399699 /nfs/dbraw/zinc/39/96/99/572399699.db2.gz DGVXODFMNREBSH-NWDGAFQWSA-N -1 3 294.370 3.255 20 0 CGADHM C[C@@H](NC[C@@H]1CCCN(C(=O)[O-])C1)c1ccccc1Cl ZINC000739032671 572412062 /nfs/dbraw/zinc/41/20/62/572412062.db2.gz FDEYBWZDNDCOPY-NEPJUHHUSA-N -1 3 296.798 3.381 20 0 CGADHM CCc1ccc(CN2CCC([C@@H](C)NC(=O)[O-])CC2)cc1 ZINC000739541954 572419204 /nfs/dbraw/zinc/41/92/04/572419204.db2.gz KBXODTRSMMXQJY-CYBMUJFWSA-N -1 3 290.407 3.117 20 0 CGADHM O=C(OCc1cccc2ccccc21)c1cncc([O-])c1 ZINC000731914661 572436242 /nfs/dbraw/zinc/43/62/42/572436242.db2.gz DLICVZXFUQNKEI-UHFFFAOYSA-N -1 3 279.295 3.297 20 0 CGADHM C/C(=C\C(=O)[N-]OCc1ccccc1)c1cccc(F)c1 ZINC000732053053 572446888 /nfs/dbraw/zinc/44/68/88/572446888.db2.gz XYUJHJQZYDLNFY-JLHYYAGUSA-N -1 3 285.318 3.477 20 0 CGADHM COc1ccc(C)cc1CO[N-]C(=O)Cc1ccc(C)cc1 ZINC000741753253 572521719 /nfs/dbraw/zinc/52/17/19/572521719.db2.gz ZSYQTDNEGGLCSO-UHFFFAOYSA-N -1 3 299.370 3.103 20 0 CGADHM CC[C@H](NC[C@H]1CCCN1C(=O)[O-])c1ccc(F)cc1 ZINC000739275541 572539203 /nfs/dbraw/zinc/53/92/03/572539203.db2.gz ZTQJRMVSDZCVBE-KGLIPLIRSA-N -1 3 280.343 3.009 20 0 CGADHM C[C@]1(C(=O)[N-]OCc2ccccc2)CCc2ccccc2C1 ZINC000742489000 572588876 /nfs/dbraw/zinc/58/88/76/572588876.db2.gz IHVIQRVPTUBHJF-IBGZPJMESA-N -1 3 295.382 3.430 20 0 CGADHM CC(C)[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000735748479 572739198 /nfs/dbraw/zinc/73/91/98/572739198.db2.gz JNOBPJSJFQFMIS-CYBMUJFWSA-N -1 3 285.395 3.129 20 0 CGADHM CC(C)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735748479 572739202 /nfs/dbraw/zinc/73/92/02/572739202.db2.gz JNOBPJSJFQFMIS-CYBMUJFWSA-N -1 3 285.395 3.129 20 0 CGADHM CC(C)[C@H]1CCCN1c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735749753 572739859 /nfs/dbraw/zinc/73/98/59/572739859.db2.gz OSSUMQATZJGBEA-CYBMUJFWSA-N -1 3 291.786 3.145 20 0 CGADHM CC(C)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735749753 572739862 /nfs/dbraw/zinc/73/98/62/572739862.db2.gz OSSUMQATZJGBEA-CYBMUJFWSA-N -1 3 291.786 3.145 20 0 CGADHM C[C@@H](Sc1ccc(O)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736189322 572770920 /nfs/dbraw/zinc/77/09/20/572770920.db2.gz BRGAHFULABMWTC-SNVBAGLBSA-N -1 3 298.371 3.426 20 0 CGADHM C[C@@H](Sc1ccc(O)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736189322 572770926 /nfs/dbraw/zinc/77/09/26/572770926.db2.gz BRGAHFULABMWTC-SNVBAGLBSA-N -1 3 298.371 3.426 20 0 CGADHM CCSCCOC(=O)c1cc(-c2cccs2)[n-]n1 ZINC000744763071 572771915 /nfs/dbraw/zinc/77/19/15/572771915.db2.gz YWNBEFAYJYIWTR-UHFFFAOYSA-N -1 3 282.390 3.048 20 0 CGADHM CCSCCOC(=O)c1cc(-c2cccs2)n[n-]1 ZINC000744763071 572771918 /nfs/dbraw/zinc/77/19/18/572771918.db2.gz YWNBEFAYJYIWTR-UHFFFAOYSA-N -1 3 282.390 3.048 20 0 CGADHM C[C@H](c1ccc(-c2nnn[n-]2)cc1)N(C)Cc1cccs1 ZINC000736199703 572772162 /nfs/dbraw/zinc/77/21/62/572772162.db2.gz XXLGMQLDDCDCLQ-LLVKDONJSA-N -1 3 299.403 3.121 20 0 CGADHM CC(C)(CC(=O)[O-])NCc1csc(-c2cccs2)n1 ZINC000736316896 572781377 /nfs/dbraw/zinc/78/13/77/572781377.db2.gz GRHKVTQAHOPFFA-UHFFFAOYSA-N -1 3 296.417 3.215 20 0 CGADHM C[C@H](N[C@@H]1CCCN(C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000736662725 572802905 /nfs/dbraw/zinc/80/29/05/572802905.db2.gz SIYWWLQXZXXQEV-GXFFZTMASA-N -1 3 282.771 3.133 20 0 CGADHM CC(C)(C(=O)[N-]C1=NCCS1)c1ccc2ccccc2c1 ZINC000741896699 572803995 /nfs/dbraw/zinc/80/39/95/572803995.db2.gz TZOVLRBRCBFRHY-UHFFFAOYSA-N -1 3 298.411 3.336 20 0 CGADHM CCc1ccc(CSc2cc(-c3nnn[n-]3)ccn2)cc1 ZINC000736691892 572805535 /nfs/dbraw/zinc/80/55/35/572805535.db2.gz PUUYGJJDIZCWEV-UHFFFAOYSA-N -1 3 297.387 3.116 20 0 CGADHM CCc1ccc(CSc2cc(-c3nn[n-]n3)ccn2)cc1 ZINC000736691892 572805538 /nfs/dbraw/zinc/80/55/38/572805538.db2.gz PUUYGJJDIZCWEV-UHFFFAOYSA-N -1 3 297.387 3.116 20 0 CGADHM C[C@@H](c1cccc(O)c1)N(C)Cc1cccc(C(=O)[O-])c1 ZINC000736718154 572807390 /nfs/dbraw/zinc/80/73/90/572807390.db2.gz RFFRXXXKEPARMR-LBPRGKRZSA-N -1 3 285.343 3.283 20 0 CGADHM COc1cccc(CN[C@H](C)CCC[C@@H](C)C(=O)[O-])c1F ZINC000166024979 572834421 /nfs/dbraw/zinc/83/44/21/572834421.db2.gz FWUAERAKCPPYFX-VXGBXAGGSA-N -1 3 297.370 3.203 20 0 CGADHM Cc1ccc(CC(=O)[N-]OCc2ccc3c(c2)CCC3)cc1 ZINC000747832380 572951259 /nfs/dbraw/zinc/95/12/59/572951259.db2.gz RCYNIYTYYMCACK-UHFFFAOYSA-N -1 3 295.382 3.274 20 0 CGADHM CCC[C@@H](C)CC(=O)Nc1n[n-]c(-c2cccs2)n1 ZINC000748837170 572986781 /nfs/dbraw/zinc/98/67/81/572986781.db2.gz DTRCVDSJWBWRKH-SECBINFHSA-N -1 3 278.381 3.298 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])C(F)(F)c1ccc(F)cc1 ZINC000748854769 572986915 /nfs/dbraw/zinc/98/69/15/572986915.db2.gz YTVBCRQPQLEHGT-UHFFFAOYSA-N -1 3 299.223 3.401 20 0 CGADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)[C@@H](C)C3CC3)c2)n1 ZINC000749040836 572988677 /nfs/dbraw/zinc/98/86/77/572988677.db2.gz MLLDOCZYIFRFJC-NSHDSACASA-N -1 3 298.342 3.109 20 0 CGADHM O=C([N-]Cc1csc2ccccc12)C(F)(F)C(F)F ZINC000749348480 572992561 /nfs/dbraw/zinc/99/25/61/572992561.db2.gz XQNHOKHZFBKVDM-UHFFFAOYSA-N -1 3 291.269 3.418 20 0 CGADHM CCC[C@@H]1CCCC[C@H]1[N-]C(=O)C(F)(F)C(F)F ZINC000749375164 572995794 /nfs/dbraw/zinc/99/57/94/572995794.db2.gz FASSTWVFIBGAOI-RKDXNWHRSA-N -1 3 269.282 3.362 20 0 CGADHM CC[C@](C)(CC(=O)[O-])NCc1csc(C(C)(C)C)n1 ZINC000828672606 601432856 /nfs/dbraw/zinc/43/28/56/601432856.db2.gz UFDMGRGXGDSBRS-CQSZACIVSA-N -1 3 284.425 3.174 20 0 CGADHM CC[C@@]1(C)CCCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000820949864 599089386 /nfs/dbraw/zinc/08/93/86/599089386.db2.gz GTHRYSAHMWSJQU-HNNXBMFYSA-N -1 3 289.358 3.022 20 0 CGADHM CC[C@@]1(C)CCCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000820949864 599089389 /nfs/dbraw/zinc/08/93/89/599089389.db2.gz GTHRYSAHMWSJQU-HNNXBMFYSA-N -1 3 289.358 3.022 20 0 CGADHM c1cc(-c2nnn[n-]2)cc(SCCC2CCCCC2)n1 ZINC000823742642 599126400 /nfs/dbraw/zinc/12/64/00/599126400.db2.gz JQNAPAGIZLQBLE-UHFFFAOYSA-N -1 3 289.408 3.324 20 0 CGADHM c1cc(-c2nn[n-]n2)cc(SCCC2CCCCC2)n1 ZINC000823742642 599126402 /nfs/dbraw/zinc/12/64/02/599126402.db2.gz JQNAPAGIZLQBLE-UHFFFAOYSA-N -1 3 289.408 3.324 20 0 CGADHM O=C([O-])C[C@H]1CCCN(Cc2ccc(Cl)s2)C1 ZINC000054300208 597071774 /nfs/dbraw/zinc/07/17/74/597071774.db2.gz XBAMWYWRHNVKPD-SECBINFHSA-N -1 3 273.785 3.088 20 0 CGADHM Cc1ccc(C)c(NCc2ccc(-c3nnn[n-]3)s2)c1 ZINC000822232065 607310841 /nfs/dbraw/zinc/31/08/41/607310841.db2.gz SAMDPVUCXMZTAA-UHFFFAOYSA-N -1 3 285.376 3.157 20 0 CGADHM C[C@H](NC1CCC(C(=O)[O-])CC1)c1c(F)cccc1F ZINC000086735652 598113924 /nfs/dbraw/zinc/11/39/24/598113924.db2.gz ZYVHXOZVUFTSPB-WHXUTIOJSA-N -1 3 283.318 3.259 20 0 CGADHM Cc1cn(Cc2cccc3ccccc32)cc1-c1nnn[n-]1 ZINC000822384374 607331024 /nfs/dbraw/zinc/33/10/24/607331024.db2.gz KPCJLCMAQNUJLQ-UHFFFAOYSA-N -1 3 289.342 3.178 20 0 CGADHM Cc1cn(Cc2cccc3ccccc32)cc1-c1nn[n-]n1 ZINC000822384374 607331025 /nfs/dbraw/zinc/33/10/25/607331025.db2.gz KPCJLCMAQNUJLQ-UHFFFAOYSA-N -1 3 289.342 3.178 20 0 CGADHM Clc1ccc(-c2nnn[n-]2)c(N2CCCCCCC2)c1 ZINC000737570205 598629671 /nfs/dbraw/zinc/62/96/71/598629671.db2.gz CVYBORFWQUEEFT-UHFFFAOYSA-N -1 3 291.786 3.291 20 0 CGADHM Clc1ccc(-c2nn[n-]n2)c(N2CCCCCCC2)c1 ZINC000737570205 598629672 /nfs/dbraw/zinc/62/96/72/598629672.db2.gz CVYBORFWQUEEFT-UHFFFAOYSA-N -1 3 291.786 3.291 20 0 CGADHM CC(C)CCOCCSc1ccccc1-c1nnn[n-]1 ZINC000820077027 599348714 /nfs/dbraw/zinc/34/87/14/599348714.db2.gz YKUBFSXODLJEOJ-UHFFFAOYSA-N -1 3 292.408 3.022 20 0 CGADHM CC(C)CCOCCSc1ccccc1-c1nn[n-]n1 ZINC000820077027 599348715 /nfs/dbraw/zinc/34/87/15/599348715.db2.gz YKUBFSXODLJEOJ-UHFFFAOYSA-N -1 3 292.408 3.022 20 0 CGADHM CSC(C)(C)CNc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000821950825 599358233 /nfs/dbraw/zinc/35/82/33/599358233.db2.gz QXWDPBCSMOBQMF-UHFFFAOYSA-N -1 3 297.815 3.074 20 0 CGADHM CSC(C)(C)CNc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000821950825 599358235 /nfs/dbraw/zinc/35/82/35/599358235.db2.gz QXWDPBCSMOBQMF-UHFFFAOYSA-N -1 3 297.815 3.074 20 0 CGADHM Cc1cccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822323890 599363760 /nfs/dbraw/zinc/36/37/60/599363760.db2.gz QHKBPIVGLBTHDJ-LBPRGKRZSA-N -1 3 279.347 3.348 20 0 CGADHM Cc1cccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822323890 599363763 /nfs/dbraw/zinc/36/37/63/599363763.db2.gz QHKBPIVGLBTHDJ-LBPRGKRZSA-N -1 3 279.347 3.348 20 0 CGADHM Cc1ccccc1CN(C)Cc1ccc(F)cc1C(=O)[O-] ZINC000071265010 600082255 /nfs/dbraw/zinc/08/22/55/600082255.db2.gz UIPIYDPGTRMLJO-UHFFFAOYSA-N -1 3 287.334 3.464 20 0 CGADHM O=C([O-])[C@@H](NC/C=C/c1ccccc1)c1ccccc1F ZINC000756332964 600750301 /nfs/dbraw/zinc/75/03/01/600750301.db2.gz OGIOQXZEDMUIJQ-FSNWXROXSA-N -1 3 285.318 3.254 20 0 CGADHM O=C([O-])[C@H](NCCC(F)(F)F)c1cccc(Cl)c1 ZINC000833165536 600760908 /nfs/dbraw/zinc/76/09/08/600760908.db2.gz CBZVYFZPICYATH-SECBINFHSA-N -1 3 281.661 3.008 20 0 CGADHM CCc1ccc([C@@H]2CCCCN2C/C=C(/C)C(=O)[O-])o1 ZINC000830238052 601172437 /nfs/dbraw/zinc/17/24/37/601172437.db2.gz NXYATRJTNNCYOX-UQTJOTSZSA-N -1 3 277.364 3.400 20 0 CGADHM COc1ccc(C)cc1[C@@H](C)N[C@H](C(=O)[O-])c1ccccc1 ZINC000315179712 601457470 /nfs/dbraw/zinc/45/74/70/601457470.db2.gz IORXIKCTUGXJFB-DYVFJYSZSA-N -1 3 299.370 3.480 20 0 CGADHM C[C@@H](c1ccc(Cl)cc1)N1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000739179166 602766236 /nfs/dbraw/zinc/76/62/36/602766236.db2.gz VHOLMKPEWLIIQH-SUNKGSAMSA-N -1 3 296.798 3.379 20 0 CGADHM Cc1ccc2c(c1)[C@H](NCc1ccc(NC(=O)[O-])nc1)CC2 ZINC000830446575 603550149 /nfs/dbraw/zinc/55/01/49/603550149.db2.gz RBBKVQJVDOOZAN-OAHLLOKOSA-N -1 3 297.358 3.257 20 0 CGADHM Fc1ccc(C=CC=Cc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000826374071 607647286 /nfs/dbraw/zinc/64/72/86/607647286.db2.gz KIMAWZJTBXTIFG-TZFCGSKZSA-N -1 3 293.305 3.127 20 0 CGADHM Fc1ccc(C=CC=Cc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000826374071 607647287 /nfs/dbraw/zinc/64/72/87/607647287.db2.gz KIMAWZJTBXTIFG-TZFCGSKZSA-N -1 3 293.305 3.127 20 0 CGADHM CC[C@@H](N[C@@H]1CCCN(C(=O)[O-])C1)c1cc(F)ccc1F ZINC000828982729 604287902 /nfs/dbraw/zinc/28/79/02/604287902.db2.gz IFUIPSSLPAIEOV-BXUZGUMPSA-N -1 3 298.333 3.148 20 0 CGADHM CC1(C)CN(Cc2c[nH]c(C(=O)[O-])c2)Cc2ccccc21 ZINC000833561675 604653633 /nfs/dbraw/zinc/65/36/33/604653633.db2.gz NRXXAQGBKLBTRH-UHFFFAOYSA-N -1 3 284.359 3.006 20 0 CGADHM CC(C)N(Cc1ccc(C(=O)[O-])[nH]1)Cc1cccs1 ZINC000833496288 605103602 /nfs/dbraw/zinc/10/36/02/605103602.db2.gz DMDXRBQMDQHVDQ-UHFFFAOYSA-N -1 3 278.377 3.185 20 0 CGADHM O=C([O-])N(CC1CC1)C1CCN(Cc2cccs2)CC1 ZINC000834062099 605612653 /nfs/dbraw/zinc/61/26/53/605612653.db2.gz FLOSHOGMWLHNLV-UHFFFAOYSA-N -1 3 294.420 3.103 20 0 CGADHM CCCCNc1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000821071988 606173907 /nfs/dbraw/zinc/17/39/07/606173907.db2.gz PPVWQFCFHUQSGP-UHFFFAOYSA-N -1 3 285.273 3.098 20 0 CGADHM CCCCNc1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000821071988 606173908 /nfs/dbraw/zinc/17/39/08/606173908.db2.gz PPVWQFCFHUQSGP-UHFFFAOYSA-N -1 3 285.273 3.098 20 0 CGADHM FC(F)(F)c1ccc(NC2CCCC2)c(-c2nnn[n-]2)c1 ZINC000822724046 606175037 /nfs/dbraw/zinc/17/50/37/606175037.db2.gz XECUOBYLNJOWOT-UHFFFAOYSA-N -1 3 297.284 3.240 20 0 CGADHM FC(F)(F)c1ccc(NC2CCCC2)c(-c2nn[n-]n2)c1 ZINC000822724046 606175039 /nfs/dbraw/zinc/17/50/39/606175039.db2.gz XECUOBYLNJOWOT-UHFFFAOYSA-N -1 3 297.284 3.240 20 0 CGADHM CC[C@H](C)CSCCOc1cccc(-c2nnn[n-]2)c1 ZINC000820870696 606796043 /nfs/dbraw/zinc/79/60/43/606796043.db2.gz XRSSWTOMLYJXPF-NSHDSACASA-N -1 3 292.408 3.025 20 0 CGADHM CC[C@H](C)CSCCOc1cccc(-c2nn[n-]n2)c1 ZINC000820870696 606796044 /nfs/dbraw/zinc/79/60/44/606796044.db2.gz XRSSWTOMLYJXPF-NSHDSACASA-N -1 3 292.408 3.025 20 0 CGADHM Cc1cccc(NCc2ccc(F)c(-c3nnn[n-]3)c2)c1C ZINC000822323227 606926367 /nfs/dbraw/zinc/92/63/67/606926367.db2.gz AKPAKRLVORNFMR-UHFFFAOYSA-N -1 3 297.337 3.235 20 0 CGADHM Cc1cccc(NCc2ccc(F)c(-c3nn[n-]n3)c2)c1C ZINC000822323227 606926369 /nfs/dbraw/zinc/92/63/69/606926369.db2.gz AKPAKRLVORNFMR-UHFFFAOYSA-N -1 3 297.337 3.235 20 0 CGADHM CCCCNc1cc(-c2nnn[n-]2)ccc1C(F)(F)F ZINC000821071949 607225612 /nfs/dbraw/zinc/22/56/12/607225612.db2.gz OKYMXOUZSHTYNJ-UHFFFAOYSA-N -1 3 285.273 3.098 20 0 CGADHM CCCCNc1cc(-c2nn[n-]n2)ccc1C(F)(F)F ZINC000821071949 607225613 /nfs/dbraw/zinc/22/56/13/607225613.db2.gz OKYMXOUZSHTYNJ-UHFFFAOYSA-N -1 3 285.273 3.098 20 0 CGADHM C[C@H](Nc1ccc(F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824656922 609160847 /nfs/dbraw/zinc/16/08/47/609160847.db2.gz OBNBPBHYXTXTKH-JTQLQIEISA-N -1 3 283.310 3.179 20 0 CGADHM C[C@H](Nc1ccc(F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824656922 609160849 /nfs/dbraw/zinc/16/08/49/609160849.db2.gz OBNBPBHYXTXTKH-JTQLQIEISA-N -1 3 283.310 3.179 20 0 CGADHM Cc1ccc([C@@H](C)Nc2nccc(C)c2-c2nnn[n-]2)cc1 ZINC000826283857 609537188 /nfs/dbraw/zinc/53/71/88/609537188.db2.gz CRIHOWWQTAAMHR-GFCCVEGCSA-N -1 3 294.362 3.052 20 0 CGADHM Cc1ccc([C@@H](C)Nc2nccc(C)c2-c2nn[n-]n2)cc1 ZINC000826283857 609537191 /nfs/dbraw/zinc/53/71/91/609537191.db2.gz CRIHOWWQTAAMHR-GFCCVEGCSA-N -1 3 294.362 3.052 20 0 CGADHM Cc1cc(C(C#N)=C([O-])C=Cc2ccsc2)nc(C)n1 ZINC000049405175 617606955 /nfs/dbraw/zinc/60/69/55/617606955.db2.gz VDRZHNVJSBBCPD-OOPCZODUSA-N -1 3 283.356 3.045 20 0 CGADHM CCc1nc(CNC[C@H](CC2CCCC2)C(=O)[O-])cs1 ZINC000900082948 620758546 /nfs/dbraw/zinc/75/85/46/620758546.db2.gz BILYFRXAUCSTPZ-LBPRGKRZSA-N -1 3 296.436 3.076 20 0 CGADHM CC(C)OCCO[N-]C(=O)C[C@@H](C)C1CCCCC1 ZINC000812805272 617857563 /nfs/dbraw/zinc/85/75/63/617857563.db2.gz ITYUPURBSCDYAW-CYBMUJFWSA-N -1 3 271.401 3.066 20 0 CGADHM O=C(CC/C=C\c1ccccc1)[N-]OCc1cccnc1 ZINC000255118334 617943577 /nfs/dbraw/zinc/94/35/77/617943577.db2.gz PTPXZCLQWKHKOE-WTKPLQERSA-N -1 3 282.343 3.123 20 0 CGADHM Cc1oc(C(=O)[O-])cc1CNCCSc1ccccc1 ZINC000235825542 618827497 /nfs/dbraw/zinc/82/74/97/618827497.db2.gz QCWDSWDKYHTHIQ-UHFFFAOYSA-N -1 3 291.372 3.168 20 0 CGADHM CC(C)COC(=O)c1cccc2[n-]c(C(F)F)nc21 ZINC000924083028 618882342 /nfs/dbraw/zinc/88/23/42/618882342.db2.gz DUTWMCWUPAQKEZ-UHFFFAOYSA-N -1 3 268.263 3.313 20 0 CGADHM C[C@@H]1CCC[C@@H](CC(=O)[N-]OCCC(F)(F)F)C1 ZINC000162852574 618883371 /nfs/dbraw/zinc/88/33/71/618883371.db2.gz UCCPAQMDAQBIAL-NXEZZACHSA-N -1 3 267.291 3.203 20 0 CGADHM CC[C@H](C)CCCCC(=O)N1CCCc2c(=O)[n-]cnc21 ZINC000893207031 619028106 /nfs/dbraw/zinc/02/81/06/619028106.db2.gz LVXPHCFSKJBCSJ-LBPRGKRZSA-N -1 3 291.395 3.068 20 0 CGADHM CC(C)C[C@@H](C)CC(=O)[N-]OCCC(F)(F)F ZINC000162655809 619124431 /nfs/dbraw/zinc/12/44/31/619124431.db2.gz BRPJFDFWAPDAJN-SECBINFHSA-N -1 3 255.280 3.059 20 0 CGADHM CCc1cc(O)ccc1NC(=O)c1ccc(C)cc1[O-] ZINC000191035618 619743788 /nfs/dbraw/zinc/74/37/88/619743788.db2.gz ZTSNSZFIKNZZLZ-UHFFFAOYSA-N -1 3 271.316 3.221 20 0 CGADHM CCCCC[C@H](CC)C(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000898217869 620488650 /nfs/dbraw/zinc/48/86/50/620488650.db2.gz UGJCBSKADUFDHK-STQMWFEESA-N -1 3 293.411 3.038 20 0 CGADHM CC(C)CCCCCC(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000898216797 620488900 /nfs/dbraw/zinc/48/89/00/620488900.db2.gz WMYNJQGJYYHRBI-ZDUSSCGKSA-N -1 3 293.411 3.038 20 0 CGADHM CCCCC[C@H](CC)C(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898217868 620488966 /nfs/dbraw/zinc/48/89/66/620488966.db2.gz UGJCBSKADUFDHK-QWHCGFSZSA-N -1 3 293.411 3.038 20 0 CGADHM CC(=O)CCCCOC(=O)CCCc1ccc([O-])c(F)c1 ZINC000787849579 620544520 /nfs/dbraw/zinc/54/45/20/620544520.db2.gz XRVUDLUMPSVLDU-UHFFFAOYSA-N -1 3 296.338 3.157 20 0 CGADHM CCC(C)(C)C(=O)C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000901228732 620843519 /nfs/dbraw/zinc/84/35/19/620843519.db2.gz WVDLSZBAHZFUFU-UHFFFAOYSA-N -1 3 283.755 3.298 20 0 CGADHM O=C([O-])CC1CCN(C/C=C/c2ccc(F)cc2)CC1 ZINC000901421033 620882780 /nfs/dbraw/zinc/88/27/80/620882780.db2.gz ZKYKRDDUAARJLR-OWOJBTEDSA-N -1 3 277.339 3.026 20 0 CGADHM CCOc1ccc(CNCc2ccc(CC(=O)[O-])cc2)cc1 ZINC000901538366 620919050 /nfs/dbraw/zinc/91/90/50/620919050.db2.gz AUXVFKUMGMJLKU-UHFFFAOYSA-N -1 3 299.370 3.002 20 0 CGADHM Cc1cc(CN2Cc3ccccc3[C@H](C(=O)[O-])C2)c(C)o1 ZINC000901626695 620955145 /nfs/dbraw/zinc/95/51/45/620955145.db2.gz DIKYMKZLQVQZDP-MRXNPFEDSA-N -1 3 285.343 3.080 20 0 CGADHM CC(C)(C)c1nc(CNC2(CC(=O)[O-])CCCC2)cs1 ZINC000901687179 620987878 /nfs/dbraw/zinc/98/78/78/620987878.db2.gz LKGMKOQJYJSMNJ-UHFFFAOYSA-N -1 3 296.436 3.318 20 0 CGADHM CC(C)[C@@H]1C[C@@H](NCc2ccc(C(=O)[O-])cc2F)CS1 ZINC000901754113 621012546 /nfs/dbraw/zinc/01/25/46/621012546.db2.gz APGBBZGPRYIMOL-OCCSQVGLSA-N -1 3 297.395 3.144 20 0 CGADHM O=C([O-])c1occc1CN[C@H](c1ccccc1)C1CC1 ZINC000902133287 621151330 /nfs/dbraw/zinc/15/13/30/621151330.db2.gz ZMHHJXOEDYVRGH-CQSZACIVSA-N -1 3 271.316 3.219 20 0 CGADHM O=C([O-])c1csc(CNC2(c3ccccc3)CC2)c1 ZINC000902213426 621186768 /nfs/dbraw/zinc/18/67/68/621186768.db2.gz ATLIIBKEXOLNNI-UHFFFAOYSA-N -1 3 273.357 3.225 20 0 CGADHM CC[C@@](C)(NCc1ccc(C(=O)[O-])o1)c1ccccc1 ZINC000902236810 621206513 /nfs/dbraw/zinc/20/65/13/621206513.db2.gz YMMUZKYYQPHWOU-MRXNPFEDSA-N -1 3 273.332 3.393 20 0 CGADHM CCc1nc([C@H](C)N[C@@H]2CC[C@H](CC(=O)[O-])[C@H]2C)cs1 ZINC000902252245 621208785 /nfs/dbraw/zinc/20/87/85/621208785.db2.gz GEIZIZNEMKRXED-WRWGMCAJSA-N -1 3 296.436 3.246 20 0 CGADHM [O-]c1ccc(F)c(CNc2cnc(CC3CC3)nc2)c1F ZINC000902259912 621212200 /nfs/dbraw/zinc/21/22/00/621212200.db2.gz BQHNLXQRYQLSQX-UHFFFAOYSA-N -1 3 291.301 3.025 20 0 CGADHM Cc1ccccc1[C@@H]1CCCN1Cc1cncc(C(=O)[O-])c1 ZINC000903887580 621822501 /nfs/dbraw/zinc/82/25/01/621822501.db2.gz WNUXPXBXOMDYEX-KRWDZBQOSA-N -1 3 296.370 3.425 20 0 CGADHM C[C@@H]1C[C@H](C)N(Cc2ccc(F)cc2F)[C@H](C)[C@@H]1C(=O)[O-] ZINC000903951272 621841675 /nfs/dbraw/zinc/84/16/75/621841675.db2.gz SYYPZABXQTYPRG-JNIYBQFBSA-N -1 3 297.345 3.284 20 0 CGADHM Cc1cc(F)c(CN[C@@H]2CCC[C@@H]2C(=O)[O-])c(Cl)c1 ZINC000904270256 621896559 /nfs/dbraw/zinc/89/65/59/621896559.db2.gz XVUQRILHXOCDKE-TVQRCGJNSA-N -1 3 285.746 3.130 20 0 CGADHM C[C@@]1(NCc2ccc(C(=O)[O-])cc2)CCOc2ccccc21 ZINC000904261693 621898148 /nfs/dbraw/zinc/89/81/48/621898148.db2.gz JUTRYJJCOXXBEZ-GOSISDBHSA-N -1 3 297.354 3.172 20 0 CGADHM [O-]c1ccc(Cc2nc(-c3cccc(F)c3)no2)cc1F ZINC000904540044 621932898 /nfs/dbraw/zinc/93/28/98/621932898.db2.gz SHTFDOHOLOVRCG-UHFFFAOYSA-N -1 3 288.253 3.311 20 0 CGADHM CC[C@@H](C)C[C@@H](N)c1nc(-c2ccc([O-])cc2F)no1 ZINC000904689150 621953757 /nfs/dbraw/zinc/95/37/57/621953757.db2.gz HFDYKKOKADRBCS-PRHODGIISA-N -1 3 279.315 3.017 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)N1CC=CC12CCCCC2 ZINC000912472228 622660496 /nfs/dbraw/zinc/66/04/96/622660496.db2.gz NAUFAEHOQWZGDQ-UHFFFAOYSA-N -1 3 289.350 3.175 20 0 CGADHM O=C(OCc1ccc(OC(F)F)cc1)c1ccc([O-])cc1 ZINC000060786993 623070127 /nfs/dbraw/zinc/07/01/27/623070127.db2.gz SXPSGWFJXUZHRA-UHFFFAOYSA-N -1 3 294.253 3.351 20 0 CGADHM Cc1csc([C@@H](C)NCc2ccc([O-])c(F)c2)n1 ZINC000232422800 623388157 /nfs/dbraw/zinc/38/81/57/623388157.db2.gz KCUVBFDLIRNHOD-SECBINFHSA-N -1 3 266.341 3.147 20 0 CGADHM C/C(=C/CNC(c1ccccc1)c1ccccc1)C(=O)[O-] ZINC000232447394 623886614 /nfs/dbraw/zinc/88/66/14/623886614.db2.gz KPXSJYTYIMGDRD-OWBHPGMISA-N -1 3 281.355 3.397 20 0 CGADHM O=C(OCc1ccccc1OC(F)F)c1ccc([O-])cc1 ZINC000915734328 624026319 /nfs/dbraw/zinc/02/63/19/624026319.db2.gz DDIWKLURSVHFLF-UHFFFAOYSA-N -1 3 294.253 3.351 20 0 CGADHM CC(C)c1cccc(CC(=O)[N-]OC/C=C/Cl)c1 ZINC000837662413 624034585 /nfs/dbraw/zinc/03/45/85/624034585.db2.gz ODPODWCPNTYFKI-QPJJXVBHSA-N -1 3 267.756 3.153 20 0 CGADHM CC(C)Cc1ccc(CC(=O)[N-]OCC(F)(F)F)cc1 ZINC000766768798 624251685 /nfs/dbraw/zinc/25/16/85/624251685.db2.gz POWUFXFABIHZHS-UHFFFAOYSA-N -1 3 289.297 3.038 20 0 CGADHM CC(C)(C)c1coc(CNCc2ccc([O-])c(F)c2)n1 ZINC000921766797 625869000 /nfs/dbraw/zinc/86/90/00/625869000.db2.gz VQKFPTGHMDCZLM-UHFFFAOYSA-N -1 3 278.327 3.107 20 0 CGADHM Cc1ccc(C(=O)N2Cc3ccccc3[C@H](C)C2)c([O-])c1 ZINC000922232597 625987593 /nfs/dbraw/zinc/98/75/93/625987593.db2.gz PJDVPAIJAQKTBU-CYBMUJFWSA-N -1 3 281.355 3.460 20 0 CGADHM CC(C)(C)c1nc(COC(=O)c2cc3occc3[n-]2)co1 ZINC000922669591 626029122 /nfs/dbraw/zinc/02/91/22/626029122.db2.gz LJKNATKTYPYDJN-UHFFFAOYSA-N -1 3 288.303 3.403 20 0 CGADHM CC(C)[C@@H](NCc1cccc([O-])c1Cl)c1cnn(C)c1 ZINC000922895518 626093454 /nfs/dbraw/zinc/09/34/54/626093454.db2.gz TYHMEFMFMMLKKF-OAHLLOKOSA-N -1 3 293.798 3.266 20 0 CGADHM Cc1cc(C)c(C(=O)[N-]c2c(C)onc2OC(F)F)o1 ZINC000839340390 626340191 /nfs/dbraw/zinc/34/01/91/626340191.db2.gz SZNIXKILOHYBGB-UHFFFAOYSA-N -1 3 286.234 3.047 20 0 CGADHM CCc1cnc(COC(=O)c2cc(F)cc(Cl)c2[O-])o1 ZINC000751732753 626402253 /nfs/dbraw/zinc/40/22/53/626402253.db2.gz XFVSPZMVDMOSBK-UHFFFAOYSA-N -1 3 299.685 3.092 20 0 CGADHM CC1(C)CCC(=CC(=O)[N-]O[C@H]2CCCCO2)CC1 ZINC000751816851 626405978 /nfs/dbraw/zinc/40/59/78/626405978.db2.gz XXVWXAREMXLVHU-AWEZNQCLSA-N -1 3 267.369 3.087 20 0 CGADHM CC(=O)CCCCCCC(=O)[N-]OCc1ccc(F)cc1 ZINC000754714994 626584105 /nfs/dbraw/zinc/58/41/05/626584105.db2.gz ZJDNCCVPPBFNKD-UHFFFAOYSA-N -1 3 295.354 3.303 20 0 CGADHM CCCCCC[C@H](C)[N-]S(=O)(=O)c1cnc(C)s1 ZINC000754790987 626587650 /nfs/dbraw/zinc/58/76/50/626587650.db2.gz DULACJOHKULNRX-JTQLQIEISA-N -1 3 290.454 3.089 20 0 CGADHM O=C(Nc1ncccc1[O-])c1cc(Cl)nc2ccccc21 ZINC000754775213 626586919 /nfs/dbraw/zinc/58/69/19/626586919.db2.gz MHAGDNSWWQNJJE-UHFFFAOYSA-N -1 3 299.717 3.241 20 0 CGADHM O=C([O-])[C@H](NCc1ccsc1)c1ccc(Cl)cc1 ZINC000756333714 626692700 /nfs/dbraw/zinc/69/27/00/626692700.db2.gz UJUOVPNOCQRJHF-GFCCVEGCSA-N -1 3 281.764 3.317 20 0 CGADHM O=C(Cc1cccc(C2CC2)c1)[N-]OC1CCCCC1 ZINC000839729882 626783230 /nfs/dbraw/zinc/78/32/30/626783230.db2.gz BTJRUEHNXNHGCA-UHFFFAOYSA-N -1 3 273.376 3.487 20 0 CGADHM CON(C(=O)c1cc2c(cc1[O-])CCCC2)C1CCCC1 ZINC000757659490 626798027 /nfs/dbraw/zinc/79/80/27/626798027.db2.gz ZMDHNKMELCMYTE-UHFFFAOYSA-N -1 3 289.375 3.217 20 0 CGADHM Cc1ccc(C(=O)Nc2cc(F)ccc2[O-])c(Cl)n1 ZINC000759706255 626916846 /nfs/dbraw/zinc/91/68/46/626916846.db2.gz MQPADICPKBMTHK-UHFFFAOYSA-N -1 3 280.686 3.140 20 0 CGADHM CC1(C)C[C@H]([N-]C(=O)C(F)(F)C(F)F)c2ccccc21 ZINC000770729325 627639488 /nfs/dbraw/zinc/63/94/88/627639488.db2.gz SFLKCUIZHDZKLK-JTQLQIEISA-N -1 3 289.272 3.426 20 0 CGADHM C[C@@H]1C[C@@H](CC(=O)[N-]OC2CCOCC2)CC(C)(C)C1 ZINC000772724081 627817832 /nfs/dbraw/zinc/81/78/32/627817832.db2.gz CAPBCEWFOFIDQQ-OLZOCXBDSA-N -1 3 283.412 3.066 20 0 CGADHM CC(C)(C)SCCCC(=O)[N-]OC1CCCC1 ZINC000774864271 628043560 /nfs/dbraw/zinc/04/35/60/628043560.db2.gz BBPHUICJUFNOHC-UHFFFAOYSA-N -1 3 259.415 3.289 20 0 CGADHM CC(C)(Cc1ccccc1)C(=O)[N-]OC1CCCC1 ZINC000775277383 628077501 /nfs/dbraw/zinc/07/75/01/628077501.db2.gz ZUHUCWWHEUIBSV-UHFFFAOYSA-N -1 3 261.365 3.246 20 0 CGADHM CCc1cc(=O)[n-]c(CN[C@@](C)(CC)c2ccccc2)n1 ZINC000775389680 628089136 /nfs/dbraw/zinc/08/91/36/628089136.db2.gz XFMBMVNLLMGOKW-KRWDZBQOSA-N -1 3 285.391 3.160 20 0 CGADHM CC(C)CO[N-]C(=O)[C@@H](C)CCCc1ccccc1 ZINC000775781981 628136226 /nfs/dbraw/zinc/13/62/26/628136226.db2.gz QADLEXJJVZFBQY-AWEZNQCLSA-N -1 3 263.381 3.349 20 0 CGADHM C[C@@H]1C[C@H](COC(=O)c2cc(Cl)c(Cl)[n-]2)CCO1 ZINC000778368721 628344540 /nfs/dbraw/zinc/34/45/40/628344540.db2.gz KIWCLYZOBAWXIN-HTQZYQBOSA-N -1 3 292.162 3.293 20 0 CGADHM COc1cc(Cl)c(C=Cc2nccc(=O)[n-]2)cc1Cl ZINC000125334018 634685388 /nfs/dbraw/zinc/68/53/88/634685388.db2.gz FLITXGJDYZXDOU-NSCUHMNNSA-N -1 3 297.141 3.256 20 0 CGADHM O=C(OCc1ccccc1F)c1cc2occc2[n-]1 ZINC000786030487 628908072 /nfs/dbraw/zinc/90/80/72/628908072.db2.gz GNZYUKIWPHGWRV-UHFFFAOYSA-N -1 3 259.236 3.257 20 0 CGADHM Cc1cccc(COC(=O)c2cc3occc3[n-]2)c1 ZINC000786030107 628908857 /nfs/dbraw/zinc/90/88/57/628908857.db2.gz UJZUUXMCKJTEAH-UHFFFAOYSA-N -1 3 255.273 3.426 20 0 CGADHM Cc1ccc(C(=O)COC(=O)c2cc3occc3[n-]2)c(C)c1 ZINC000786032144 628909044 /nfs/dbraw/zinc/90/90/44/628909044.db2.gz RNYIEEBABSCIQK-UHFFFAOYSA-N -1 3 297.310 3.417 20 0 CGADHM CC(C)CC(=O)COC(=O)c1cc2sccc2c([O-])c1 ZINC000786130730 628915825 /nfs/dbraw/zinc/91/58/25/628915825.db2.gz HHIVLNHQCNMWNS-UHFFFAOYSA-N -1 3 292.356 3.379 20 0 CGADHM CON(C(=O)CCCc1ccc([O-])c(F)c1)C1CCCC1 ZINC000787271060 629006285 /nfs/dbraw/zinc/00/62/85/629006285.db2.gz TZPHXMAJKSBYAI-UHFFFAOYSA-N -1 3 295.354 3.187 20 0 CGADHM O=c1ccnc(C=Cc2cnc(-c3ccco3)s2)[n-]1 ZINC000789141394 629107454 /nfs/dbraw/zinc/10/74/54/629107454.db2.gz DRGZWPSTNJYQMC-ONEGZZNKSA-N -1 3 271.301 3.069 20 0 CGADHM O=C([N-]OC1CCCC1)C12CC(c3ccccc3)(C1)C2 ZINC000790849260 629237781 /nfs/dbraw/zinc/23/77/81/629237781.db2.gz QEHAPVYTWNFJMM-UHFFFAOYSA-N -1 3 271.360 3.099 20 0 CGADHM Cc1cccc(C(=O)Nc2cccc3ocnc32)c1[O-] ZINC000791002202 629248622 /nfs/dbraw/zinc/24/86/22/629248622.db2.gz GCDFHUXUOZQWSX-UHFFFAOYSA-N -1 3 268.272 3.094 20 0 CGADHM CCC(F)(F)CNC(=O)c1cc2sccc2c([O-])c1 ZINC000862899834 629446923 /nfs/dbraw/zinc/44/69/23/629446923.db2.gz ZMVNEPLEYJMPIZ-UHFFFAOYSA-N -1 3 285.315 3.382 20 0 CGADHM O=C(c1cc2sccc2c([O-])c1)N1CCC(F)(F)CC1 ZINC000862953479 629452069 /nfs/dbraw/zinc/45/20/69/629452069.db2.gz BSQFNKCIBHKRMX-UHFFFAOYSA-N -1 3 297.326 3.478 20 0 CGADHM CCc1ccc([C@H](C)CC(=O)[N-]OCCSC)cc1 ZINC000794193644 629520805 /nfs/dbraw/zinc/52/08/05/629520805.db2.gz MAIXGGNHEMKNRH-GFCCVEGCSA-N -1 3 281.421 3.153 20 0 CGADHM Cc1ccc(CO[N-]C(=O)CC(C)(C)C)cc1F ZINC000863474780 629583774 /nfs/dbraw/zinc/58/37/74/629583774.db2.gz MBEOLFRAFDESNE-UHFFFAOYSA-N -1 3 253.317 3.118 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)Cc1cccc(C)c1Cl ZINC000794842623 629586963 /nfs/dbraw/zinc/58/69/63/629586963.db2.gz LUWIPTUXIXQICF-JTQLQIEISA-N -1 3 269.772 3.285 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)Cc1coc2ccccc12 ZINC000794851689 629587700 /nfs/dbraw/zinc/58/77/00/629587700.db2.gz HTRWISNCQVBQRS-NSHDSACASA-N -1 3 261.321 3.069 20 0 CGADHM CCc1ccc(CCC(=O)[N-]OC[C@H](C)CC)cc1 ZINC000794853493 629588401 /nfs/dbraw/zinc/58/84/01/629588401.db2.gz RHZBWCVAITWJFE-CYBMUJFWSA-N -1 3 263.381 3.276 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)Cc1cccc(C(F)F)c1 ZINC000794855325 629589305 /nfs/dbraw/zinc/58/93/05/629589305.db2.gz ZPWKAVQGNSJJFR-JTQLQIEISA-N -1 3 271.307 3.261 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)C[C@H]1CCc2ccccc2C1 ZINC000794864434 629591488 /nfs/dbraw/zinc/59/14/88/629591488.db2.gz LQSRQQRKUPUTHZ-KBPBESRZSA-N -1 3 275.392 3.276 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)Cc1c(C)oc2ccccc21 ZINC000794870130 629592052 /nfs/dbraw/zinc/59/20/52/629592052.db2.gz LMCQCPYJOCJGPH-LLVKDONJSA-N -1 3 275.348 3.378 20 0 CGADHM O=C1[N-]C(=O)/C(=C/c2ccc(C(F)F)cc2)c2ccccc21 ZINC000794938801 629603282 /nfs/dbraw/zinc/60/32/82/629603282.db2.gz NOZUYWULODKALX-NTEUORMPSA-N -1 3 299.276 3.435 20 0 CGADHM COc1ccc(NCc2c(F)ccc([O-])c2F)c(F)c1 ZINC000864042324 629737472 /nfs/dbraw/zinc/73/74/72/629737472.db2.gz FSNOFJCGOGGOBH-UHFFFAOYSA-N -1 3 283.249 3.430 20 0 CGADHM O=C(C=C1CCC1)Nc1ccc(Br)cc1[O-] ZINC000119828634 629751337 /nfs/dbraw/zinc/75/13/37/629751337.db2.gz JRRAIVOSXRVSJI-UHFFFAOYSA-N -1 3 282.137 3.204 20 0 CGADHM CC[C@H](Cc1cn(C)c2ccccc12)[N-]C(=O)C(F)(F)F ZINC000864493663 629846176 /nfs/dbraw/zinc/84/61/76/629846176.db2.gz FNXQWQCTLJHBPY-LLVKDONJSA-N -1 3 298.308 3.178 20 0 CGADHM CC(C)=CC[C@@H](NCc1c(F)cc(C)cc1F)C(=O)[O-] ZINC000864528511 629855604 /nfs/dbraw/zinc/85/56/04/629855604.db2.gz PHEZZTZNVTWIRE-CQSZACIVSA-N -1 3 283.318 3.172 20 0 CGADHM Cc1cccc(C)c1OCCOC(=O)c1ccc([O-])cc1 ZINC000797561187 629959663 /nfs/dbraw/zinc/95/96/63/629959663.db2.gz JNVXDJKLUYOFPG-UHFFFAOYSA-N -1 3 286.327 3.245 20 0 CGADHM C[C@@H](COC(=O)c1cc(F)cc2[n-]nnc21)c1ccccc1 ZINC000800258877 630256265 /nfs/dbraw/zinc/25/62/65/630256265.db2.gz HCKHPOVCNOXBLI-JTQLQIEISA-N -1 3 299.305 3.058 20 0 CGADHM C[C@@H](COC(=O)c1cc(F)cc2nn[n-]c21)c1ccccc1 ZINC000800258877 630256271 /nfs/dbraw/zinc/25/62/71/630256271.db2.gz HCKHPOVCNOXBLI-JTQLQIEISA-N -1 3 299.305 3.058 20 0 CGADHM C[C@@H](COC(=O)c1cc(F)cc2n[n-]nc21)c1ccccc1 ZINC000800258877 630256276 /nfs/dbraw/zinc/25/62/76/630256276.db2.gz HCKHPOVCNOXBLI-JTQLQIEISA-N -1 3 299.305 3.058 20 0 CGADHM C[C@H]1CSC[C@H]1NC(=O)c1cc2sccc2c([O-])c1 ZINC000804505199 630533783 /nfs/dbraw/zinc/53/37/83/630533783.db2.gz XPLSIYSNXUAYJI-GZMMTYOYSA-N -1 3 293.413 3.088 20 0 CGADHM CC1(COC(=O)c2cc3cc(Cl)sc3[n-]2)COC1 ZINC000810548614 630891610 /nfs/dbraw/zinc/89/16/10/630891610.db2.gz DYEVNMPBXFTYQI-UHFFFAOYSA-N -1 3 285.752 3.076 20 0 CGADHM O=C(CCc1cc(Cl)cs1)[N-]OC/C=C/Cl ZINC000812404121 631247096 /nfs/dbraw/zinc/24/70/96/631247096.db2.gz WRVJSWPYNWGULN-DAFODLJHSA-N -1 3 280.176 3.134 20 0 CGADHM O=C(CCCCCc1ccc(O)cc1)[N-]OC1CCC1 ZINC000812792139 631311155 /nfs/dbraw/zinc/31/11/55/631311155.db2.gz MPNWAQGYKOBUCC-UHFFFAOYSA-N -1 3 277.364 3.095 20 0 CGADHM CCc1ccc([C@@H](C)CC(=O)[N-]OC2CCC2)cc1 ZINC000812795731 631313001 /nfs/dbraw/zinc/31/30/01/631313001.db2.gz AWPBELGCCHBIPS-LBPRGKRZSA-N -1 3 261.365 3.343 20 0 CGADHM C[C@H]1C[C@H](CC(=O)[N-]OC2CCC2)CC(C)(C)C1 ZINC000812795643 631313891 /nfs/dbraw/zinc/31/38/91/631313891.db2.gz GHUMGUSVJLIYTE-NWDGAFQWSA-N -1 3 253.386 3.439 20 0 CGADHM CC(C)OCCO[N-]C(=O)CC1CC(c2ccccc2)C1 ZINC000812805554 631317249 /nfs/dbraw/zinc/31/72/49/631317249.db2.gz PVCNIQCLRVYDJQ-UHFFFAOYSA-N -1 3 291.391 3.043 20 0 CGADHM [O-]c1cccc(CNC[C@H](O)c2ccccc2F)c1Cl ZINC000815118823 631720971 /nfs/dbraw/zinc/72/09/71/631720971.db2.gz RTIHBGYIDAKMFH-AWEZNQCLSA-N -1 3 295.741 3.008 20 0 CGADHM CC(C)(C)C(C)(C)C(=O)[N-]OCc1ccc(F)cc1 ZINC000816099081 631880123 /nfs/dbraw/zinc/88/01/23/631880123.db2.gz JCXUTAQVBNDFDX-UHFFFAOYSA-N -1 3 267.344 3.446 20 0 CGADHM [O-]c1ccc(F)c(CN2CCC(C3CC3)CC2)c1F ZINC000816617072 632025376 /nfs/dbraw/zinc/02/53/76/632025376.db2.gz OCXRNZBFPHECMM-UHFFFAOYSA-N -1 3 267.319 3.292 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)Cc1cn(CC)c2ccccc12 ZINC000816976508 632065850 /nfs/dbraw/zinc/06/58/50/632065850.db2.gz FCQVVMWPCHNPOZ-CYBMUJFWSA-N -1 3 288.391 3.298 20 0 CGADHM CC[C@H](CC(=O)[N-]OCC1CC1)c1ccc(C)cc1 ZINC000817349904 632129845 /nfs/dbraw/zinc/12/98/45/632129845.db2.gz LVTIPDLMEPODAZ-CQSZACIVSA-N -1 3 261.365 3.337 20 0 CGADHM Cc1ccc(C)c(C(=O)CCC(=O)[N-]OCCC2CC2)c1 ZINC000817403821 632138978 /nfs/dbraw/zinc/13/89/78/632138978.db2.gz QGOWVUWFRKZMOY-UHFFFAOYSA-N -1 3 289.375 3.114 20 0 CGADHM Cc1ccc([C@H](C)N(C)C(=O)c2ccc(N)cc2[O-])c(C)c1 ZINC000817913762 632234105 /nfs/dbraw/zinc/23/41/05/632234105.db2.gz ROKUUPLTUGCAKD-ZDUSSCGKSA-N -1 3 298.386 3.424 20 0 CGADHM CCC[C@@]1(C)CCCN(C(=O)c2ccc(N)cc2[O-])C1 ZINC000817944949 632242246 /nfs/dbraw/zinc/24/22/46/632242246.db2.gz PYTFVTQHCTVRCC-INIZCTEOSA-N -1 3 276.380 3.017 20 0 CGADHM CCOC([O-])=NOCCOc1cc(Cl)ccc1Cl ZINC000818107343 632288124 /nfs/dbraw/zinc/28/81/24/632288124.db2.gz PQYBZPWTWKFXSN-UHFFFAOYSA-N -1 3 294.134 3.050 20 0 CGADHM CCOC(=O)[N-]OCCOc1cc(Cl)ccc1Cl ZINC000818107343 632288128 /nfs/dbraw/zinc/28/81/28/632288128.db2.gz PQYBZPWTWKFXSN-UHFFFAOYSA-N -1 3 294.134 3.050 20 0 CGADHM CC[C@H](Cc1ccccc1C)C(=O)[N-]O[C@@H]1CCCCO1 ZINC000819205631 632401170 /nfs/dbraw/zinc/40/11/70/632401170.db2.gz NYOWEKYQFVAVCW-GDBMZVCRSA-N -1 3 291.391 3.138 20 0 CGADHM CC(C)(C)OC1CCN(Cc2cccc(C(=O)[O-])c2)CC1 ZINC000819927449 632538508 /nfs/dbraw/zinc/53/85/08/632538508.db2.gz IQNWTIRIGVQHBA-UHFFFAOYSA-N -1 3 291.391 3.164 20 0 CGADHM CC1(C)CC[C@@H](OC(=O)Cc2ccc([O-])c(F)c2)C1 ZINC000820726019 632670223 /nfs/dbraw/zinc/67/02/23/632670223.db2.gz NELQHYZVQGDOSJ-LLVKDONJSA-N -1 3 266.312 3.196 20 0 CGADHM CC(=O)c1ccc(-c2nnn[n-]2)c(N[C@@H]2CCCC[C@@H]2C)c1 ZINC000824014269 633181514 /nfs/dbraw/zinc/18/15/14/633181514.db2.gz GXJAYYAYPPUQSM-IINYFYTJSA-N -1 3 299.378 3.060 20 0 CGADHM CC(=O)c1ccc(-c2nn[n-]n2)c(N[C@@H]2CCCC[C@@H]2C)c1 ZINC000824014269 633181519 /nfs/dbraw/zinc/18/15/19/633181519.db2.gz GXJAYYAYPPUQSM-IINYFYTJSA-N -1 3 299.378 3.060 20 0 CGADHM CC(C)OCCSc1cccc(Cl)c1-c1nnn[n-]1 ZINC000824314431 633228202 /nfs/dbraw/zinc/22/82/02/633228202.db2.gz ADHZOEXHDZTSHP-UHFFFAOYSA-N -1 3 298.799 3.037 20 0 CGADHM CC(C)OCCSc1cccc(Cl)c1-c1nn[n-]n1 ZINC000824314431 633228203 /nfs/dbraw/zinc/22/82/03/633228203.db2.gz ADHZOEXHDZTSHP-UHFFFAOYSA-N -1 3 298.799 3.037 20 0 CGADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1ccccc1C(F)F ZINC000824433121 633244974 /nfs/dbraw/zinc/24/49/74/633244974.db2.gz CONFOKFPZUXYPH-LLVKDONJSA-N -1 3 286.278 3.204 20 0 CGADHM O=C([N-]O[C@@H]1CCCCO1)Nc1ccccc1C(F)F ZINC000824433121 633244979 /nfs/dbraw/zinc/24/49/79/633244979.db2.gz CONFOKFPZUXYPH-LLVKDONJSA-N -1 3 286.278 3.204 20 0 CGADHM Cc1ccc(C)c(NC=C2C(=O)[N-]C(=O)c3ccccc32)c1 ZINC000016718799 633261734 /nfs/dbraw/zinc/26/17/34/633261734.db2.gz LKDYRCXSGLTYAO-XNTDXEJSSA-N -1 3 292.338 3.026 20 0 CGADHM O=C1[N-]C(=O)C(=CNc2ccccc2Cl)c2ccccc21 ZINC000016718752 633261994 /nfs/dbraw/zinc/26/19/94/633261994.db2.gz CNKOZDCRJBROHV-FMIVXFBMSA-N -1 3 298.729 3.063 20 0 CGADHM O=C(C[C@@H]1CCCC1(F)F)[N-]Oc1ccc(F)cc1 ZINC000824622955 633265311 /nfs/dbraw/zinc/26/53/11/633265311.db2.gz NEUOAFZJVBYZKX-VIFPVBQESA-N -1 3 273.254 3.061 20 0 CGADHM CCOCCCSc1cccc(Cl)c1-c1nnn[n-]1 ZINC000825593695 633366812 /nfs/dbraw/zinc/36/68/12/633366812.db2.gz AVSOTENNPXYAFE-UHFFFAOYSA-N -1 3 298.799 3.039 20 0 CGADHM CCOCCCSc1cccc(Cl)c1-c1nn[n-]n1 ZINC000825593695 633366816 /nfs/dbraw/zinc/36/68/16/633366816.db2.gz AVSOTENNPXYAFE-UHFFFAOYSA-N -1 3 298.799 3.039 20 0 CGADHM COCC[C@@H](C)Sc1cccc(Cl)c1-c1nnn[n-]1 ZINC000826153880 633409480 /nfs/dbraw/zinc/40/94/80/633409480.db2.gz CFMFAWRTFZQRFS-MRVPVSSYSA-N -1 3 298.799 3.037 20 0 CGADHM COCC[C@@H](C)Sc1cccc(Cl)c1-c1nn[n-]n1 ZINC000826153880 633409483 /nfs/dbraw/zinc/40/94/83/633409483.db2.gz CFMFAWRTFZQRFS-MRVPVSSYSA-N -1 3 298.799 3.037 20 0 CGADHM CC[C@H](CC(=O)[N-]OCCCC(F)(F)F)C(C)C ZINC000871211600 633728115 /nfs/dbraw/zinc/72/81/15/633728115.db2.gz WEFFGWDAJLSJPO-SNVBAGLBSA-N -1 3 269.307 3.449 20 0 CGADHM C[C@@H](CC(=O)[N-]OCCCC(F)(F)F)c1ccco1 ZINC000871216894 633731203 /nfs/dbraw/zinc/73/12/03/633731203.db2.gz DCUKYEPXIIYBFH-VIFPVBQESA-N -1 3 279.258 3.164 20 0 CGADHM CSC(C)(C)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000830761800 633885838 /nfs/dbraw/zinc/88/58/38/633885838.db2.gz GINPQPZKNRDTSQ-UHFFFAOYSA-N -1 3 259.758 3.126 20 0 CGADHM C[C@@H](N[C@@H](C)c1cccnc1)c1cccc([O-])c1F ZINC000872019427 633939880 /nfs/dbraw/zinc/93/98/80/633939880.db2.gz WPDSDNUHNZCCOF-WDEREUQCSA-N -1 3 260.312 3.338 20 0 CGADHM Cc1csc(CN[C@H](C)c2cccc([O-])c2F)n1 ZINC000872022265 633942563 /nfs/dbraw/zinc/94/25/63/633942563.db2.gz WPGASZXJIVCLKR-SECBINFHSA-N -1 3 266.341 3.147 20 0 CGADHM Cc1cnc(CN[C@H](C)c2cccc([O-])c2F)s1 ZINC000872038536 633957866 /nfs/dbraw/zinc/95/78/66/633957866.db2.gz MFMRGXPNVLKQGV-SECBINFHSA-N -1 3 266.341 3.147 20 0 CGADHM Cc1cc(CN[C@H](C)c2cccc([O-])c2F)cc(C)n1 ZINC000872081527 634005173 /nfs/dbraw/zinc/00/51/73/634005173.db2.gz ZBWUTCQELAYUSW-GFCCVEGCSA-N -1 3 274.339 3.394 20 0 CGADHM C[C@H](N[C@H]1COCc2ccccc21)c1cccc([O-])c1F ZINC000872080812 634005612 /nfs/dbraw/zinc/00/56/12/634005612.db2.gz SNEPAWHOIIVXSW-NHYWBVRUSA-N -1 3 287.334 3.453 20 0 CGADHM CSc1ccc([O-])c(C(=O)N[C@@H]2CCS[C@@H](C)C2)c1 ZINC000834625970 634201739 /nfs/dbraw/zinc/20/17/39/634201739.db2.gz GGFRLIHVQVUIOL-VHSXEESVSA-N -1 3 297.445 3.128 20 0 CGADHM CC(=O)CCCCCOC(=O)c1cccc(Cl)c1[O-] ZINC000837617266 634951360 /nfs/dbraw/zinc/95/13/60/634951360.db2.gz WOCKDVCIRZNGCN-UHFFFAOYSA-N -1 3 284.739 3.352 20 0 CGADHM CCC[C@H](CCCCNCc1cccnc1Cl)C(=O)[O-] ZINC000841815833 635239317 /nfs/dbraw/zinc/23/93/17/635239317.db2.gz LZRNRWATNXMMSA-GFCCVEGCSA-N -1 3 298.814 3.496 20 0 CGADHM CCC[C@@H](CCCCNCc1cccnc1Cl)C(=O)[O-] ZINC000841815834 635239439 /nfs/dbraw/zinc/23/94/39/635239439.db2.gz LZRNRWATNXMMSA-LBPRGKRZSA-N -1 3 298.814 3.496 20 0 CGADHM O=C(CCCc1ccccc1)[N-]OCCCC(F)(F)F ZINC000842028240 635258858 /nfs/dbraw/zinc/25/88/58/635258858.db2.gz PRQKCCKPJWTYLP-UHFFFAOYSA-N -1 3 289.297 3.400 20 0 CGADHM CC(C)(C)CC(=O)[N-]OCCCc1cccc(F)c1 ZINC000842061880 635270838 /nfs/dbraw/zinc/27/08/38/635270838.db2.gz RPMSKOCTXXOECW-UHFFFAOYSA-N -1 3 267.344 3.242 20 0 CGADHM CCCc1nc(CO[N-]C(=O)CC(C)(C)C)cs1 ZINC000842063460 635272110 /nfs/dbraw/zinc/27/21/10/635272110.db2.gz NVXIMMGOJZDDNS-UHFFFAOYSA-N -1 3 270.398 3.080 20 0 CGADHM CC(C)(C)CC(=O)[N-]OCCc1ccccc1Cl ZINC000842063217 635272565 /nfs/dbraw/zinc/27/25/65/635272565.db2.gz KLLJUMZCEVWSQK-UHFFFAOYSA-N -1 3 269.772 3.367 20 0 CGADHM C[C@@H]1CN(Cc2c(F)ccc([O-])c2F)CC2(CCCC2)O1 ZINC000843435222 635676481 /nfs/dbraw/zinc/67/64/81/635676481.db2.gz RCCPTBYRMUPPAT-LLVKDONJSA-N -1 3 297.345 3.204 20 0 CGADHM Cc1cccc(C2(NC(=O)c3ccc(N)cc3[O-])CCC2)c1 ZINC000843509149 635682687 /nfs/dbraw/zinc/68/26/87/635682687.db2.gz YAXVMPRWAZKNDY-UHFFFAOYSA-N -1 3 296.370 3.092 20 0 CGADHM CSCCO[N-]C(=O)C[C@@H](C)CCC=C(C)C ZINC000843875660 635791914 /nfs/dbraw/zinc/79/19/14/635791914.db2.gz NRTKOLVIRKUVJZ-LBPRGKRZSA-N -1 3 259.415 3.170 20 0 CGADHM CC(C)O[C@H]1CCCN(Cc2c(F)ccc([O-])c2F)C1 ZINC000846015848 636130023 /nfs/dbraw/zinc/13/00/23/636130023.db2.gz NRXJGMNQFVLRPV-NSHDSACASA-N -1 3 285.334 3.060 20 0 CGADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCC[C@@H](CF)C1 ZINC000881600366 636160814 /nfs/dbraw/zinc/16/08/14/636160814.db2.gz IXOXIAUYWQEIEK-ZDUSSCGKSA-N -1 3 297.345 3.062 20 0 CGADHM O=C([O-])c1ccccc1CCN1CCc2c(F)cccc2C1 ZINC000846246739 636166520 /nfs/dbraw/zinc/16/65/20/636166520.db2.gz RBYQPCAIGAPNEH-UHFFFAOYSA-N -1 3 299.345 3.125 20 0 CGADHM Nc1ccc(C(=O)N2CCC[C@H]2CC2CCCC2)c([O-])c1 ZINC000848441980 636577691 /nfs/dbraw/zinc/57/76/91/636577691.db2.gz CSCIIXFZMYNMEQ-AWEZNQCLSA-N -1 3 288.391 3.159 20 0 CGADHM CCCCCCN1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000087612469 636795376 /nfs/dbraw/zinc/79/53/76/636795376.db2.gz KLSVTYVROSWLEM-HNNXBMFYSA-N -1 3 261.365 3.251 20 0 CGADHM [O-]c1cccc(CN[C@H]2C[C@H](O)c3ccccc32)c1Cl ZINC000850372887 637035993 /nfs/dbraw/zinc/03/59/93/637035993.db2.gz APABTRSOWZZGSU-ZFWWWQNUSA-N -1 3 289.762 3.314 20 0 CGADHM C[C@@H]1C[C@H]1c1ccc(CCC(=O)[N-]Oc2ccccc2)o1 ZINC000854538677 638070115 /nfs/dbraw/zinc/07/01/15/638070115.db2.gz MEHGSEFYUYJOBC-IUODEOHRSA-N -1 3 285.343 3.446 20 0 CGADHM Cc1cc(C)c(CC(=O)[N-]OCC2CCC2)c(C)c1 ZINC000856349782 638349974 /nfs/dbraw/zinc/34/99/74/638349974.db2.gz JSHMZLQUNJAOHB-UHFFFAOYSA-N -1 3 261.365 3.002 20 0 CGADHM O=C(COC(=O)c1ccc([O-])cc1)c1cccc(Cl)c1 ZINC000011078246 638369876 /nfs/dbraw/zinc/36/98/76/638369876.db2.gz SVEVWPBWIPKLIU-UHFFFAOYSA-N -1 3 290.702 3.085 20 0 CGADHM Cc1nc(CN[C@H](C)c2cc([O-])cc(F)c2)cs1 ZINC000924721480 638394281 /nfs/dbraw/zinc/39/42/81/638394281.db2.gz GJDIVGCHQXRPMT-MRVPVSSYSA-N -1 3 266.341 3.147 20 0 CGADHM Cc1ccc(C(=O)NCC[C@@H]2CC2(Cl)Cl)c([O-])c1 ZINC000857372512 638498539 /nfs/dbraw/zinc/49/85/39/638498539.db2.gz UKNMTWVVNNVTPM-SECBINFHSA-N -1 3 288.174 3.014 20 0 CGADHM Cc1ccc(F)c(CC(=O)[N-]OCc2ccc(F)cc2)c1 ZINC000857485234 638510106 /nfs/dbraw/zinc/51/01/06/638510106.db2.gz RHGHJWJBQFKPQT-UHFFFAOYSA-N -1 3 291.297 3.064 20 0 CGADHM Cn1ncc([N-]c2nc3cccc(F)c3o2)c1C1CC1 ZINC000858486406 638737421 /nfs/dbraw/zinc/73/74/21/638737421.db2.gz MXEALMXXICUDQU-UHFFFAOYSA-N -1 3 272.283 3.321 20 0 CGADHM CCc1nc(C(=O)[N-]c2c(C)noc2C(C)C)c(C)o1 ZINC000928784250 638891632 /nfs/dbraw/zinc/89/16/32/638891632.db2.gz BXODQAQNJASBDN-UHFFFAOYSA-N -1 3 277.324 3.218 20 0 CGADHM O=C(CC1CCC(F)(F)CC1)[N-]OC/C=C\Cl ZINC000861783014 639613886 /nfs/dbraw/zinc/61/38/86/639613886.db2.gz QQYSGHIAQWDAKV-BHQIHCQQSA-N -1 3 267.703 3.002 20 0 CGADHM CC(C)O[N-]C(=O)Cc1coc2cc(Cl)ccc12 ZINC000861881514 639624658 /nfs/dbraw/zinc/62/46/58/639624658.db2.gz YMNHGBTZZQWJEU-UHFFFAOYSA-N -1 3 267.712 3.085 20 0 CGADHM O=C(C[C@H]1CC[C@H](C2CC2)O1)Nc1ccc(Cl)cc1[O-] ZINC000935098888 639748509 /nfs/dbraw/zinc/74/85/09/639748509.db2.gz DGQGYBTWFUEMRD-BXUZGUMPSA-N -1 3 295.766 3.332 20 0 CGADHM O=C(Nc1cccc([O-])c1F)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC000935138555 639754761 /nfs/dbraw/zinc/75/47/61/639754761.db2.gz VBCUMIUAXOCVAK-JGPRNRPPSA-N -1 3 263.312 3.296 20 0 CGADHM CC(C)c1cccc(NC([O-])=NO[C@H]2CCCCO2)c1 ZINC000155589414 639940868 /nfs/dbraw/zinc/94/08/68/639940868.db2.gz JTZJNZLHBHWWRA-AWEZNQCLSA-N -1 3 278.352 3.390 20 0 CGADHM CC(C)c1cccc(NC(=O)[N-]O[C@H]2CCCCO2)c1 ZINC000155589414 639940876 /nfs/dbraw/zinc/94/08/76/639940876.db2.gz JTZJNZLHBHWWRA-AWEZNQCLSA-N -1 3 278.352 3.390 20 0 CGADHM COCc1ccc(NC(=O)c2cccc(C)c2[O-])cc1 ZINC000195258333 640576509 /nfs/dbraw/zinc/57/65/09/640576509.db2.gz BJWQSFPZFWAAIX-UHFFFAOYSA-N -1 3 271.316 3.099 20 0 CGADHM C[C@@H](NCc1cc(C(=O)[O-])cs1)c1ccsc1 ZINC000095005274 640807722 /nfs/dbraw/zinc/80/77/22/640807722.db2.gz HUKNBPZPTJXGNU-MRVPVSSYSA-N -1 3 267.375 3.359 20 0 CGADHM O=C(OC[C@H]1CCCCO1)c1cc(Cl)c(Cl)[n-]1 ZINC000097109461 640856248 /nfs/dbraw/zinc/85/62/48/640856248.db2.gz HYQVKGCLWQPMGO-SSDOTTSWSA-N -1 3 278.135 3.047 20 0 CGADHM O=C(Nc1ccc(F)c([O-])c1)c1c2cc[nH]c2ccc1F ZINC001155432187 805581486 /nfs/dbraw/zinc/58/14/86/805581486.db2.gz LYQKPBBHMGCRRU-UHFFFAOYSA-N -1 3 288.253 3.404 20 0 CGADHM Cc1ccnc(-c2ccc([O-])cc2C(F)(F)F)n1 ZINC001250453574 805627292 /nfs/dbraw/zinc/62/72/92/805627292.db2.gz POQSFEAXYCBBMS-UHFFFAOYSA-N -1 3 254.211 3.176 20 0 CGADHM CC1(NC(F)(F)c2cc(Cl)nc(=S)[n-]2)CCC1 ZINC001156074113 805650011 /nfs/dbraw/zinc/65/00/11/805650011.db2.gz WFMOJFVYKAVKPR-UHFFFAOYSA-N -1 3 279.743 3.000 20 0 CGADHM CCOc1ccc2nc(-c3cc(F)ccc3[O-])n(C)c2c1 ZINC001250837679 805786739 /nfs/dbraw/zinc/78/67/39/805786739.db2.gz KEHNOIKXVQGXQQ-UHFFFAOYSA-N -1 3 286.306 3.484 20 0 CGADHM CC(C)c1ccc2[nH]c(-c3ccncc3[O-])nc2c1 ZINC001250860862 805790181 /nfs/dbraw/zinc/79/01/81/805790181.db2.gz WBDHLDLVEPHXNK-UHFFFAOYSA-N -1 3 253.305 3.454 20 0 CGADHM CC(C)c1ccc2nc(-c3ccncc3[O-])[nH]c2c1 ZINC001250860862 805790188 /nfs/dbraw/zinc/79/01/88/805790188.db2.gz WBDHLDLVEPHXNK-UHFFFAOYSA-N -1 3 253.305 3.454 20 0 CGADHM Cc1ccc([N-]S(=O)(=O)c2ccccc2)c(F)c1F ZINC001251146033 805855278 /nfs/dbraw/zinc/85/52/78/805855278.db2.gz BZUBIBSICGYLSF-UHFFFAOYSA-N -1 3 283.299 3.074 20 0 CGADHM CCc1ccc(C(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)s1 ZINC001159056285 806036337 /nfs/dbraw/zinc/03/63/37/806036337.db2.gz PUDRPOOYDZAYJW-UHFFFAOYSA-N -1 3 287.344 3.145 20 0 CGADHM CC(=O)c1cccc(NC(=O)c2ccc(C(F)F)o2)c1[O-] ZINC001160321206 806256929 /nfs/dbraw/zinc/25/69/29/806256929.db2.gz KSEPZUFQLAQLOR-UHFFFAOYSA-N -1 3 295.241 3.378 20 0 CGADHM CCCc1nnc(-c2cc3cccc(O)c3cc2[O-])o1 ZINC001253944804 806321925 /nfs/dbraw/zinc/32/19/25/806321925.db2.gz UMDZEEQZULLRAM-UHFFFAOYSA-N -1 3 270.288 3.254 20 0 CGADHM Cc1cccc2c1CCC[C@@H]2NC(=O)c1c([O-])cccc1O ZINC001161683796 806416648 /nfs/dbraw/zinc/41/66/48/806416648.db2.gz QTCYCRXXLYAZGW-AWEZNQCLSA-N -1 3 297.354 3.214 20 0 CGADHM Cc1ccc(NCCC(C)(C)C)cc1-c1nnn[n-]1 ZINC001161681325 806416709 /nfs/dbraw/zinc/41/67/09/806416709.db2.gz QQOYOLFZGYWOBG-UHFFFAOYSA-N -1 3 259.357 3.023 20 0 CGADHM Cc1ccc(NCCC(C)(C)C)cc1-c1nn[n-]n1 ZINC001161681325 806416712 /nfs/dbraw/zinc/41/67/12/806416712.db2.gz QQOYOLFZGYWOBG-UHFFFAOYSA-N -1 3 259.357 3.023 20 0 CGADHM c1ccc([C@@H](Nc2ccccc2-c2nnn[n-]2)C2CC2)cc1 ZINC001161962669 806492085 /nfs/dbraw/zinc/49/20/85/806492085.db2.gz PFCHZTSPQFVLQP-MRXNPFEDSA-N -1 3 291.358 3.430 20 0 CGADHM c1ccc([C@@H](Nc2ccccc2-c2nn[n-]n2)C2CC2)cc1 ZINC001161962669 806492091 /nfs/dbraw/zinc/49/20/91/806492091.db2.gz PFCHZTSPQFVLQP-MRXNPFEDSA-N -1 3 291.358 3.430 20 0 CGADHM CCc1nnc(-c2cc3cc(OC)ccc3cc2[O-])o1 ZINC001255073355 806535604 /nfs/dbraw/zinc/53/56/04/806535604.db2.gz MMRLKFAWQPYTSC-UHFFFAOYSA-N -1 3 270.288 3.166 20 0 CGADHM [O-]c1ccc(NC(=S)Nc2ccccc2)cc1F ZINC000168801340 799086993 /nfs/dbraw/zinc/08/69/93/799086993.db2.gz RLSMJAXNKXUYIU-UHFFFAOYSA-N -1 3 262.309 3.340 20 0 CGADHM Cc1c([C@H](C)NCc2c([O-])ccc(Cl)c2F)cnn1C ZINC000190755594 799124027 /nfs/dbraw/zinc/12/40/27/799124027.db2.gz SBAUFRGGVXFYGA-QMMMGPOBSA-N -1 3 297.761 3.077 20 0 CGADHM Cc1ccc(C(=O)NC[C@@H]2CCC[C@@H](C)C2)c([O-])c1 ZINC000235371728 799144526 /nfs/dbraw/zinc/14/45/26/799144526.db2.gz GVXWGMWQYCRTDW-DGCLKSJQSA-N -1 3 261.365 3.257 20 0 CGADHM Cc1ccc(C(=O)NC[C@H]2CCC[C@@H](C)C2)c([O-])c1 ZINC000235359514 799144558 /nfs/dbraw/zinc/14/45/58/799144558.db2.gz GVXWGMWQYCRTDW-YPMHNXCESA-N -1 3 261.365 3.257 20 0 CGADHM Cc1ccsc1CNCc1csc(C(=O)[O-])c1 ZINC000689146071 799761571 /nfs/dbraw/zinc/76/15/71/799761571.db2.gz RNQSBDDNEYAHIH-UHFFFAOYSA-N -1 3 267.375 3.106 20 0 CGADHM COc1cccc(NC(=O)c2cc([O-])ccc2Cl)c1F ZINC000690020017 799772209 /nfs/dbraw/zinc/77/22/09/799772209.db2.gz LVZHVZVMXYHTJT-UHFFFAOYSA-N -1 3 295.697 3.446 20 0 CGADHM O=C([O-])[C@]12CCC[C@H]1CN(Cc1c(F)cccc1Cl)C2 ZINC000701455367 799888410 /nfs/dbraw/zinc/88/84/10/799888410.db2.gz YQYDFGMXBDJEJC-BONVTDFDSA-N -1 3 297.757 3.166 20 0 CGADHM Cc1ccc(CN(C)Cc2ccsc2)cc1C(=O)[O-] ZINC000701819149 799894497 /nfs/dbraw/zinc/89/44/97/799894497.db2.gz BYVZWYVQRBIFTE-UHFFFAOYSA-N -1 3 275.373 3.387 20 0 CGADHM Cc1cccc([O-])c1C(=O)NC[C@H]1CCCC12CC2 ZINC000706636614 799964758 /nfs/dbraw/zinc/96/47/58/799964758.db2.gz FWPDWGVJXBXCOI-GFCCVEGCSA-N -1 3 259.349 3.011 20 0 CGADHM [O-]c1cccc(CN2CCC[C@H](CF)C2)c1Cl ZINC000711477866 800062815 /nfs/dbraw/zinc/06/28/15/800062815.db2.gz SCVWQOATZWEYSY-SNVBAGLBSA-N -1 3 257.736 3.227 20 0 CGADHM Nc1ccccc1CNc1ccc2c(c1)[N-]C(=S)C2 ZINC001163891260 806847681 /nfs/dbraw/zinc/84/76/81/806847681.db2.gz NZWVZNAKLODAOI-UHFFFAOYSA-N -1 3 269.373 3.176 20 0 CGADHM C[C@H]1C[C@H]1c1nnc(-c2cc(O)c3ccccc3c2[O-])o1 ZINC001256626121 806930012 /nfs/dbraw/zinc/93/00/12/806930012.db2.gz QDMIGVAANFQCCO-GZMMTYOYSA-N -1 3 282.299 3.424 20 0 CGADHM C[C@H]1C[C@H]1c1nnc(-c2cc3cccc(O)c3cc2[O-])o1 ZINC001256626377 806930430 /nfs/dbraw/zinc/93/04/30/806930430.db2.gz RCYOZTQRJIJOFU-WCBMZHEXSA-N -1 3 282.299 3.424 20 0 CGADHM O=C(CCc1nc2ccccc2s1)[N-]OC/C=C/Cl ZINC001117691050 802478119 /nfs/dbraw/zinc/47/81/19/802478119.db2.gz GVXQCRWCLLLJRD-FPYGCLRLSA-N -1 3 296.779 3.029 20 0 CGADHM Cc1nn(C)c(C)c1N[C@@H](C)c1cc([O-])cc(F)c1 ZINC001119631998 802686740 /nfs/dbraw/zinc/68/67/40/802686740.db2.gz KAFFWQDVJPDNSG-QMMMGPOBSA-N -1 3 263.316 3.055 20 0 CGADHM C[C@@H]1CCCC[C@]1(C)NC(=O)c1c[n-]c2ccccc2c1=O ZINC001121126546 802806876 /nfs/dbraw/zinc/80/68/76/802806876.db2.gz PRQYRLKVUQLCDO-XIKOKIGWSA-N -1 3 298.386 3.227 20 0 CGADHM O=C([N-]c1cnoc1)c1ccsc1C(F)(F)F ZINC001125758257 803074290 /nfs/dbraw/zinc/07/42/90/803074290.db2.gz XSBDSGJJOSOYEX-UHFFFAOYSA-N -1 3 262.212 3.007 20 0 CGADHM O=c1c(-c2c([O-])cccc2Cl)cccn1-c1ccncc1 ZINC001244047935 803160851 /nfs/dbraw/zinc/16/08/51/803160851.db2.gz MSEHGCKLZHMURD-UHFFFAOYSA-N -1 3 298.729 3.259 20 0 CGADHM Cc1coc(C(=O)[N-]c2nnc(Cc3ccccc3)s2)c1 ZINC001130879225 803302461 /nfs/dbraw/zinc/30/24/61/803302461.db2.gz YHMSONIHJATDPS-UHFFFAOYSA-N -1 3 299.355 3.283 20 0 CGADHM CC(C)c1cc(-c2ccc(F)c(-c3nnn[n-]3)c2)ccc1N ZINC001244335217 803311285 /nfs/dbraw/zinc/31/12/85/803311285.db2.gz SMNPGJHJCXSCRT-UHFFFAOYSA-N -1 3 297.337 3.378 20 0 CGADHM CC(C)c1cc(-c2ccc(F)c(-c3nn[n-]n3)c2)ccc1N ZINC001244335217 803311291 /nfs/dbraw/zinc/31/12/91/803311291.db2.gz SMNPGJHJCXSCRT-UHFFFAOYSA-N -1 3 297.337 3.378 20 0 CGADHM [O-]c1ccc(OC(F)(F)F)cc1-c1cc(F)ccn1 ZINC001244455957 803378062 /nfs/dbraw/zinc/37/80/62/803378062.db2.gz JMCZKMGJKHQSHE-UHFFFAOYSA-N -1 3 273.185 3.492 20 0 CGADHM CC(C)n1cccc(-c2ccc(Cl)cc2[O-])c1=O ZINC001244471957 803386882 /nfs/dbraw/zinc/38/68/82/803386882.db2.gz HZPMYYQTKBLSIS-UHFFFAOYSA-N -1 3 263.724 3.455 20 0 CGADHM CC(=O)Nc1ncc(C)cc1-c1ccc(Cl)cc1[O-] ZINC001244473647 803388936 /nfs/dbraw/zinc/38/89/36/803388936.db2.gz ZPFMJFXYKCDIDS-UHFFFAOYSA-N -1 3 276.723 3.374 20 0 CGADHM CCOC(=O)c1cc(C)cc(-c2cc(C)c(F)c([O-])c2)n1 ZINC001244495121 803403010 /nfs/dbraw/zinc/40/30/10/803403010.db2.gz DGEOYOFJYSEEFM-UHFFFAOYSA-N -1 3 289.306 3.387 20 0 CGADHM Cc1cc(-c2nnc(-n3ccnc3)c(C)c2C)cc([O-])c1F ZINC001244505717 803409955 /nfs/dbraw/zinc/40/99/55/803409955.db2.gz BRHGCLFCBZQLNN-UHFFFAOYSA-N -1 3 298.321 3.099 20 0 CGADHM COc1ccc2nc(-c3cc(C)c(F)c([O-])c3)ncc2c1 ZINC001244505751 803410264 /nfs/dbraw/zinc/41/02/64/803410264.db2.gz JFOJXYDWCQYDIE-UHFFFAOYSA-N -1 3 284.290 3.459 20 0 CGADHM CCOc1cc(-c2cc(C)c(F)c([O-])c2)nc(C)n1 ZINC001244505827 803410270 /nfs/dbraw/zinc/41/02/70/803410270.db2.gz CGQZIQHUZAUIMC-UHFFFAOYSA-N -1 3 262.284 3.004 20 0 CGADHM Cc1cc(-c2cnc(OC(C)C)cn2)cc([O-])c1F ZINC001244506227 803410388 /nfs/dbraw/zinc/41/03/88/803410388.db2.gz KEKAMXSGEYWCRP-UHFFFAOYSA-N -1 3 262.284 3.084 20 0 CGADHM COc1cc(-c2cc(C)c(F)c([O-])c2)ncc1F ZINC001244507428 803411021 /nfs/dbraw/zinc/41/10/21/803411021.db2.gz NLSZUHMOSIVFQX-UHFFFAOYSA-N -1 3 251.232 3.049 20 0 CGADHM Cc1cc(-c2cc(OC(C)C)ncn2)cc([O-])c1F ZINC001244507833 803411312 /nfs/dbraw/zinc/41/13/12/803411312.db2.gz ZTPJDLPKFFQKDE-UHFFFAOYSA-N -1 3 262.284 3.084 20 0 CGADHM CCSc1cncc(-c2cc(C)c(F)c([O-])c2)n1 ZINC001244508452 803411506 /nfs/dbraw/zinc/41/15/06/803411506.db2.gz SKHPXASNSAITQV-UHFFFAOYSA-N -1 3 264.325 3.409 20 0 CGADHM CCc1nnc2ccc(-c3cc(C)c(F)c([O-])c3)cn21 ZINC001244516199 803413857 /nfs/dbraw/zinc/41/38/57/803413857.db2.gz PGCILUHRGZNVDX-UHFFFAOYSA-N -1 3 271.295 3.112 20 0 CGADHM Cc1cc(-c2cnc(C(F)(F)F)nc2)cc([O-])c1F ZINC001244519224 803415468 /nfs/dbraw/zinc/41/54/68/803415468.db2.gz XMFUFCBJTRFFSF-UHFFFAOYSA-N -1 3 272.201 3.316 20 0 CGADHM Cc1cc(-c2cccc3c2CN(C)C(=O)N3)cc([O-])c1F ZINC001244525712 803418267 /nfs/dbraw/zinc/41/82/67/803418267.db2.gz UFZAORBCSBFBDM-UHFFFAOYSA-N -1 3 286.306 3.484 20 0 CGADHM CCOC(=O)Cc1cccc(-c2cc(C)c(F)c([O-])c2)n1 ZINC001244525693 803418828 /nfs/dbraw/zinc/41/88/28/803418828.db2.gz SVJQOJYERRINKZ-UHFFFAOYSA-N -1 3 289.306 3.007 20 0 CGADHM CSc1ncc(-c2cc(Cl)ccc2[O-])cn1 ZINC001245051041 803623315 /nfs/dbraw/zinc/62/33/15/803623315.db2.gz SAZVMJBDVOVOJF-UHFFFAOYSA-N -1 3 252.726 3.225 20 0 CGADHM Cc1ccc(-c2cc(Cl)ccc2O)cc1-c1nn[n-]n1 ZINC001245053077 803623555 /nfs/dbraw/zinc/62/35/55/803623555.db2.gz SPFZQRWMDZCRLP-UHFFFAOYSA-N -1 3 286.722 3.201 20 0 CGADHM CN1CCc2cccc(-c3cc(Cl)ccc3[O-])c2C1=O ZINC001245053231 803623756 /nfs/dbraw/zinc/62/37/56/803623756.db2.gz YXLCQDNAPUBTAD-UHFFFAOYSA-N -1 3 287.746 3.341 20 0 CGADHM Cc1cnc(-c2ccc([O-])cc2Cl)nc1NC1CC1 ZINC001245080118 803635491 /nfs/dbraw/zinc/63/54/91/803635491.db2.gz IZNYQSKYDNCEQO-UHFFFAOYSA-N -1 3 275.739 3.385 20 0 CGADHM [O-]c1ccc(-c2cc(N3CCCC3)ncn2)c(Cl)c1 ZINC001245080161 803635938 /nfs/dbraw/zinc/63/59/38/803635938.db2.gz ZQRHCDPWVFAYHA-UHFFFAOYSA-N -1 3 275.739 3.103 20 0 CGADHM CC(C)Oc1cc(-c2ccc([O-])cc2Cl)ncn1 ZINC001245081755 803636202 /nfs/dbraw/zinc/63/62/02/803636202.db2.gz LTYIZBIOAJDILH-UHFFFAOYSA-N -1 3 264.712 3.290 20 0 CGADHM CC(=O)c1ccc(C(=O)Nc2ccccc2[O-])cc1C ZINC001136346454 803640836 /nfs/dbraw/zinc/64/08/36/803640836.db2.gz KURLRRANTRSOCZ-UHFFFAOYSA-N -1 3 269.300 3.156 20 0 CGADHM Fc1ccc(Cl)c(-c2ccc(Cc3nnn[n-]3)cc2)c1 ZINC001245138222 803649107 /nfs/dbraw/zinc/64/91/07/803649107.db2.gz WTNLVIREEQNUBS-UHFFFAOYSA-N -1 3 288.713 3.250 20 0 CGADHM Fc1ccc(Cl)c(-c2ccc(Cc3nn[n-]n3)cc2)c1 ZINC001245138222 803649109 /nfs/dbraw/zinc/64/91/09/803649109.db2.gz WTNLVIREEQNUBS-UHFFFAOYSA-N -1 3 288.713 3.250 20 0 CGADHM Cc1cccc2[nH]c(-c3ccc(F)c(-c4nnn[n-]4)c3)cc21 ZINC001245342523 803704095 /nfs/dbraw/zinc/70/40/95/803704095.db2.gz HBPJEGYPYSCPSW-UHFFFAOYSA-N -1 3 293.305 3.463 20 0 CGADHM Cc1cccc2[nH]c(-c3ccc(F)c(-c4nn[n-]n4)c3)cc21 ZINC001245342523 803704096 /nfs/dbraw/zinc/70/40/96/803704096.db2.gz HBPJEGYPYSCPSW-UHFFFAOYSA-N -1 3 293.305 3.463 20 0 CGADHM CC(C)(C(=O)Nc1cc(Cl)ccc1[O-])N1CCCCC1 ZINC001137701596 803761220 /nfs/dbraw/zinc/76/12/20/803761220.db2.gz DCQUBGMGZJFSIZ-UHFFFAOYSA-N -1 3 296.798 3.249 20 0 CGADHM COc1ccc(N)c(Nc2ccc([O-])c(F)c2F)c1 ZINC001212007442 814965811 /nfs/dbraw/zinc/96/58/11/814965811.db2.gz FIRMVRZTOOQGLQ-UHFFFAOYSA-N -1 3 266.247 3.005 20 0 CGADHM Cc1c(F)ccc(N)c1Nc1ccc([O-])c(F)c1F ZINC001212013764 814966550 /nfs/dbraw/zinc/96/65/50/814966550.db2.gz ISRGVYLTTLTLPQ-UHFFFAOYSA-N -1 3 268.238 3.444 20 0 CGADHM Cc1ccc(CO)c(Nc2ccc([O-])c(F)c2F)c1 ZINC001212016416 814968244 /nfs/dbraw/zinc/96/82/44/814968244.db2.gz OYGKFEIPQPRRDT-UHFFFAOYSA-N -1 3 265.259 3.215 20 0 CGADHM COc1cccc([O-])c1C(=O)NCCC1=CCCCCC1 ZINC001138122948 803862850 /nfs/dbraw/zinc/86/28/50/803862850.db2.gz HEQKBVUWFVETAI-UHFFFAOYSA-N -1 3 289.375 3.411 20 0 CGADHM O=C(Nc1ncccc1[O-])c1cscc1C(F)F ZINC001138165896 803869591 /nfs/dbraw/zinc/86/95/91/803869591.db2.gz WIZYDVQKEOOIPK-UHFFFAOYSA-N -1 3 270.260 3.039 20 0 CGADHM CC1(c2ccccc2C(=O)Nc2ncccc2[O-])CC1 ZINC001138165941 803871169 /nfs/dbraw/zinc/87/11/69/803871169.db2.gz XPWYAVGTSZRDRV-UHFFFAOYSA-N -1 3 268.316 3.091 20 0 CGADHM Nc1nc2ccc(-c3c([O-])cccc3F)cc2s1 ZINC001245655702 803889216 /nfs/dbraw/zinc/88/92/16/803889216.db2.gz KNBWMRQCRAWPFU-UHFFFAOYSA-N -1 3 260.293 3.390 20 0 CGADHM COc1ccc(-c2c([O-])cccc2F)c(F)c1F ZINC001245657020 803890106 /nfs/dbraw/zinc/89/01/06/803890106.db2.gz ZHKUJJFJCTYRHE-UHFFFAOYSA-N -1 3 254.207 3.485 20 0 CGADHM CN(C)Cc1cncc(-c2cc(Cl)c([O-])cc2F)c1 ZINC001245671003 803901023 /nfs/dbraw/zinc/90/10/23/803901023.db2.gz AJOIXUDJDJGALJ-UHFFFAOYSA-N -1 3 280.730 3.308 20 0 CGADHM Fc1ccc(Cl)c(F)c1-c1ccc(-c2nnn[n-]2)cc1 ZINC001245722974 803929911 /nfs/dbraw/zinc/92/99/11/803929911.db2.gz YLFIKDFSIQHYGI-UHFFFAOYSA-N -1 3 292.676 3.465 20 0 CGADHM Fc1ccc(Cl)c(F)c1-c1ccc(-c2nn[n-]n2)cc1 ZINC001245722974 803929921 /nfs/dbraw/zinc/92/99/21/803929921.db2.gz YLFIKDFSIQHYGI-UHFFFAOYSA-N -1 3 292.676 3.465 20 0 CGADHM CCc1cc(-c2cc(F)cc(-c3nnn[n-]3)c2)ccc1OC ZINC001245791980 803964812 /nfs/dbraw/zinc/96/48/12/803964812.db2.gz QRNOWQWYTGWDGC-UHFFFAOYSA-N -1 3 298.321 3.244 20 0 CGADHM CCc1cc(-c2cc(F)cc(-c3nn[n-]n3)c2)ccc1OC ZINC001245791980 803964817 /nfs/dbraw/zinc/96/48/17/803964817.db2.gz QRNOWQWYTGWDGC-UHFFFAOYSA-N -1 3 298.321 3.244 20 0 CGADHM COc1ccc(Cl)cc1-c1ccccc1-c1nnn[n-]1 ZINC001245814627 803975535 /nfs/dbraw/zinc/97/55/35/803975535.db2.gz RTFORYJVUZPQQB-UHFFFAOYSA-N -1 3 286.722 3.196 20 0 CGADHM COc1ccc(Cl)cc1-c1ccccc1-c1nn[n-]n1 ZINC001245814627 803975539 /nfs/dbraw/zinc/97/55/39/803975539.db2.gz RTFORYJVUZPQQB-UHFFFAOYSA-N -1 3 286.722 3.196 20 0 CGADHM Cc1ncc(Nc2cc(OC(C)C)ccc2F)c(=O)[n-]1 ZINC001212310483 815003682 /nfs/dbraw/zinc/00/36/82/815003682.db2.gz HYPXBOUHEOGRBU-UHFFFAOYSA-N -1 3 277.299 3.161 20 0 CGADHM Nc1cc(Nc2cc(=O)n(-c3ccccc3)[n-]2)ccc1F ZINC001212331987 815006574 /nfs/dbraw/zinc/00/65/74/815006574.db2.gz AHESAHSDIVPTMK-UHFFFAOYSA-N -1 3 284.294 3.043 20 0 CGADHM CN(Cc1cccc(C(F)(F)F)c1)Cc1ccncc1[O-] ZINC001140278528 804406212 /nfs/dbraw/zinc/40/62/12/804406212.db2.gz STPUIISXMNRGKE-UHFFFAOYSA-N -1 3 296.292 3.438 20 0 CGADHM [O-]c1c(F)cc(CN2C[C@@H]3CC(F)(F)C[C@@H]3C2)cc1F ZINC001140988872 804563702 /nfs/dbraw/zinc/56/37/02/804563702.db2.gz PIVURSGXQBMSRG-AOOOYVTPSA-N -1 3 289.272 3.148 20 0 CGADHM COc1cccc([O-])c1C(=O)N[C@H](C)CCC=C(C)C ZINC001141086001 804587474 /nfs/dbraw/zinc/58/74/74/804587474.db2.gz ISWUSOZBRCJBAD-GFCCVEGCSA-N -1 3 277.364 3.266 20 0 CGADHM Cc1cnccc1/C=C/C(=O)Nc1c([O-])cccc1Cl ZINC001141469127 804643998 /nfs/dbraw/zinc/64/39/98/804643998.db2.gz JOENDSNHSRALQN-AATRIKPKSA-N -1 3 288.734 3.401 20 0 CGADHM C[C@@]1(C(=O)Nc2ccc(Br)cc2[O-])C=CCC1 ZINC001141622635 804657012 /nfs/dbraw/zinc/65/70/12/804657012.db2.gz MRSONYBWYHOSIS-CYBMUJFWSA-N -1 3 296.164 3.450 20 0 CGADHM [O-]c1cc(Cl)c(CN2CCCCO2)c(Cl)c1 ZINC001142106094 804696604 /nfs/dbraw/zinc/69/66/04/804696604.db2.gz YWCZBVNPVIGVGE-UHFFFAOYSA-N -1 3 262.136 3.226 20 0 CGADHM CCc1cccc(C(=O)Nc2cncc(SC)c2)c1[O-] ZINC001142549739 804737379 /nfs/dbraw/zinc/73/73/79/804737379.db2.gz RFIFFOQQKBXUII-UHFFFAOYSA-N -1 3 288.372 3.324 20 0 CGADHM COC[C@H]1CCCCN1Cc1ccc(Cl)cc1C(=O)[O-] ZINC001142646830 804746612 /nfs/dbraw/zinc/74/66/12/804746612.db2.gz FZDPBOANJFBRRZ-CYBMUJFWSA-N -1 3 297.782 3.039 20 0 CGADHM O=C(/C=C/c1ccccc1)Nc1ccc(F)c([O-])c1 ZINC001142869872 804777280 /nfs/dbraw/zinc/77/72/80/804777280.db2.gz WLUXHOKFGCBDPY-RMKNXTFCSA-N -1 3 257.264 3.183 20 0 CGADHM COC(C)(C)[C@H]1CCCN1Cc1c(F)cc([O-])cc1F ZINC001144554771 805004571 /nfs/dbraw/zinc/00/45/71/805004571.db2.gz HBNCALUBBKVWLH-CQSZACIVSA-N -1 3 285.334 3.060 20 0 CGADHM CCc1ccc(C(=O)Nc2cnc3c(C)cccn23)c([O-])c1 ZINC001147288820 805120812 /nfs/dbraw/zinc/12/08/12/805120812.db2.gz XGHMOAZEURYGKR-UHFFFAOYSA-N -1 3 295.342 3.163 20 0 CGADHM C=Cc1ccc(NC(=O)c2cccc(OC)c2[O-])cc1 ZINC001148203114 805167421 /nfs/dbraw/zinc/16/74/21/805167421.db2.gz YKUSZEKCXOSDLL-UHFFFAOYSA-N -1 3 269.300 3.296 20 0 CGADHM CC(C)c1ccc(C(=O)N2CC[C@H]3[C@@H](C2)C3(F)F)c([O-])c1 ZINC001148407885 805179922 /nfs/dbraw/zinc/17/99/22/805179922.db2.gz SHLSSGIDMNOASA-QWHCGFSZSA-N -1 3 295.329 3.243 20 0 CGADHM Cc1ccc(Nc2ccccc2CC(N)=O)c(Cl)c1[O-] ZINC001249611123 805189148 /nfs/dbraw/zinc/18/91/48/805189148.db2.gz SGEHDBHYIPYMLE-UHFFFAOYSA-N -1 3 290.750 3.125 20 0 CGADHM C=Cc1ccc(NC(=O)c2ccc([O-])c(C(C)=O)c2)cc1 ZINC001148661930 805204881 /nfs/dbraw/zinc/20/48/81/805204881.db2.gz GLRWHAVGBYBWDS-UHFFFAOYSA-N -1 3 281.311 3.490 20 0 CGADHM CSc1ccc([O-])c(C(=O)N[C@H]2CCCC2(C)C)c1 ZINC001148786585 805209518 /nfs/dbraw/zinc/20/95/18/805209518.db2.gz AMEQEKRIRDEITG-ZDUSSCGKSA-N -1 3 279.405 3.423 20 0 CGADHM Cc1ccc(Nc2cnc(N)c(F)c2)c(Cl)c1[O-] ZINC001249766025 805238709 /nfs/dbraw/zinc/23/87/09/805238709.db2.gz OHQPQJYEMLONHH-UHFFFAOYSA-N -1 3 267.691 3.214 20 0 CGADHM [O-]c1cc(Br)cnc1Nc1cccc(O)c1F ZINC001212545374 815061177 /nfs/dbraw/zinc/06/11/77/815061177.db2.gz DPQHUHZXODCCCP-UHFFFAOYSA-N -1 3 299.099 3.138 20 0 CGADHM Cc1nc(Nc2cc3c(cccc3Cl)[nH]2)cc(=O)[n-]1 ZINC001249860198 805265937 /nfs/dbraw/zinc/26/59/37/805265937.db2.gz XPXYJGXKLZMCHD-UHFFFAOYSA-N -1 3 274.711 3.369 20 0 CGADHM O=C1N=NC(=O)c2c(Nc3cccc([O-])c3F)cccc21 ZINC001212551200 815064249 /nfs/dbraw/zinc/06/42/49/815064249.db2.gz FPAYVKICMAWSJW-UHFFFAOYSA-N -1 3 285.234 3.021 20 0 CGADHM [O-]c1ccc(-c2nc(-c3ccc4scnc4c3)no2)nc1 ZINC001212558257 815067823 /nfs/dbraw/zinc/06/78/23/815067823.db2.gz YZEPMMUEPRCNJV-UHFFFAOYSA-N -1 3 296.311 3.114 20 0 CGADHM O=C(Nc1cc([O-])cc(Cl)c1)c1cc2ccoc2cn1 ZINC001153315237 805391854 /nfs/dbraw/zinc/39/18/54/805391854.db2.gz BMSMHFDVUFIBQJ-UHFFFAOYSA-N -1 3 288.690 3.439 20 0 CGADHM O=C(Cc1c(F)ccc([O-])c1F)c1ccc(F)cc1 ZINC001250133734 805435424 /nfs/dbraw/zinc/43/54/24/805435424.db2.gz MDKCIFCHZKDSGX-UHFFFAOYSA-N -1 3 266.218 3.235 20 0 CGADHM [O-]c1ccc(F)c(Nc2ncc(F)cc2O)c1Cl ZINC001250230022 805507151 /nfs/dbraw/zinc/50/71/51/805507151.db2.gz QZEGOWHCFMAVPA-UHFFFAOYSA-N -1 3 272.638 3.168 20 0 CGADHM O=C(Nc1cc([O-])cc(Cl)c1)c1cc2[nH]ccc2cn1 ZINC001154965779 805514725 /nfs/dbraw/zinc/51/47/25/805514725.db2.gz MAAIXNYXIXGMNC-UHFFFAOYSA-N -1 3 287.706 3.174 20 0 CGADHM S=C1Cc2ccc(NC3(C4CCOCC4)CC3)cc2[N-]1 ZINC001167748344 807240207 /nfs/dbraw/zinc/24/02/07/807240207.db2.gz JZHOOIZLNFTOLY-UHFFFAOYSA-N -1 3 288.416 3.353 20 0 CGADHM Cc1nocc1[N-]c1nc(Cl)c(Cl)nc1Cl ZINC001212720344 815113719 /nfs/dbraw/zinc/11/37/19/815113719.db2.gz KXWGRQWWEVAEGF-UHFFFAOYSA-N -1 3 279.514 3.477 20 0 CGADHM CCCC[C@@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC001259472879 807678884 /nfs/dbraw/zinc/67/88/84/807678884.db2.gz DPRMYCFJUSFNRL-SECBINFHSA-N -1 3 293.791 3.336 20 0 CGADHM Cc1ccc(C)c([N-]S(=O)(=O)CC2CCCCC2)n1 ZINC001259614072 807681869 /nfs/dbraw/zinc/68/18/69/807681869.db2.gz MEESJCMAYGZMNE-UHFFFAOYSA-N -1 3 282.409 3.020 20 0 CGADHM CC(C)c1cccnc1[N-]S(=O)(=O)C1CCCCC1 ZINC001259809702 807687975 /nfs/dbraw/zinc/68/79/75/807687975.db2.gz CBCFYJNULQDXCR-UHFFFAOYSA-N -1 3 282.409 3.279 20 0 CGADHM [O-]c1cccnc1CNc1nccc2c3c([nH]c21)CCCC3 ZINC001169731397 807700202 /nfs/dbraw/zinc/70/02/02/807700202.db2.gz QAACTUGALNFAOO-UHFFFAOYSA-N -1 3 294.358 3.154 20 0 CGADHM Cc1cnc2ccccc2c1N1CCC[C@@H](CC(=O)[O-])C1 ZINC001261374008 807740580 /nfs/dbraw/zinc/74/05/80/807740580.db2.gz XOORLOJWZULUKD-ZDUSSCGKSA-N -1 3 284.359 3.234 20 0 CGADHM [O-]c1cc(Cl)cnc1Nc1ccc(CO)c(Cl)c1 ZINC001212889190 815177197 /nfs/dbraw/zinc/17/71/97/815177197.db2.gz MYPNRROVYMJMJM-UHFFFAOYSA-N -1 3 285.130 3.330 20 0 CGADHM Cc1ncc(Nc2cccc(C(F)(F)F)c2)c(=O)[n-]1 ZINC001173822051 808688866 /nfs/dbraw/zinc/68/88/66/808688866.db2.gz ARGIAHYVNLKCAA-UHFFFAOYSA-N -1 3 269.226 3.253 20 0 CGADHM COc1cccc(Nc2ncc(Cl)cc2[O-])c1 ZINC001173823699 808690109 /nfs/dbraw/zinc/69/01/09/808690109.db2.gz BWRDGEWEHUWDIR-UHFFFAOYSA-N -1 3 250.685 3.193 20 0 CGADHM CC(=O)Nc1cccc(Nc2cc(F)c([O-])c(F)c2)c1 ZINC001173833708 808698051 /nfs/dbraw/zinc/69/80/51/808698051.db2.gz QENDWJJMGIALPL-UHFFFAOYSA-N -1 3 278.258 3.372 20 0 CGADHM O=c1cc(Nc2cccc(F)c2)[n-]n1-c1ccccc1 ZINC001173836501 808700137 /nfs/dbraw/zinc/70/01/37/808700137.db2.gz IVEXTQWANBKDDU-UHFFFAOYSA-N -1 3 269.279 3.461 20 0 CGADHM CC(=O)Nc1ccc(Nc2c(F)cc([O-])cc2F)cc1 ZINC001173977640 808800548 /nfs/dbraw/zinc/80/05/48/808800548.db2.gz QIMQCLYJUXEFPN-UHFFFAOYSA-N -1 3 278.258 3.372 20 0 CGADHM Nc1ncc2cc(Nc3cccc(Cl)c3[O-])ccc2n1 ZINC001213111250 815237186 /nfs/dbraw/zinc/23/71/86/815237186.db2.gz QGKMVIJQBNCURT-UHFFFAOYSA-N -1 3 286.722 3.315 20 0 CGADHM COc1cncc(Nc2cccc(Cl)c2[O-])c1 ZINC001174090230 808857403 /nfs/dbraw/zinc/85/74/03/808857403.db2.gz WWBHLWQTBMSKCI-UHFFFAOYSA-N -1 3 250.685 3.193 20 0 CGADHM [O-]c1c(F)c(F)ccc1Nc1ccc2nccn2c1 ZINC001174280414 808929571 /nfs/dbraw/zinc/92/95/71/808929571.db2.gz VGGZACARHFXYGZ-UHFFFAOYSA-N -1 3 261.231 3.062 20 0 CGADHM Cn1cnc2ccc(Nc3ncc(Cl)cc3[O-])cc21 ZINC001174346941 808968668 /nfs/dbraw/zinc/96/86/68/808968668.db2.gz QVFRQFUBUGCAKU-UHFFFAOYSA-N -1 3 274.711 3.071 20 0 CGADHM Cc1ncc(Nc2cc(F)ccc2C(F)(F)F)c(=O)[n-]1 ZINC001174484937 809040132 /nfs/dbraw/zinc/04/01/32/809040132.db2.gz XIJJLSZMUZZFAX-UHFFFAOYSA-N -1 3 287.216 3.392 20 0 CGADHM O=c1cc(Nc2ccc3cn[nH]c3c2)[n-]n1-c1ccccc1 ZINC001174498763 809046176 /nfs/dbraw/zinc/04/61/76/809046176.db2.gz RJHLXHGNCFEPJF-UHFFFAOYSA-N -1 3 291.314 3.198 20 0 CGADHM COc1cc([N-]c2noc(C(C)(C)C)n2)cc(F)c1F ZINC001174583021 809091764 /nfs/dbraw/zinc/09/17/64/809091764.db2.gz HXHREWSFLQALGK-UHFFFAOYSA-N -1 3 283.278 3.398 20 0 CGADHM Cc1c(F)cccc1Nc1cc(=O)[n-]c(C2CC2)n1 ZINC001174664953 809124397 /nfs/dbraw/zinc/12/43/97/809124397.db2.gz HTKBKJCCKPRKIS-UHFFFAOYSA-N -1 3 259.284 3.251 20 0 CGADHM COc1ccc2ccc(C(=O)Nc3cncc([O-])c3)cc2c1 ZINC001174809272 809168060 /nfs/dbraw/zinc/16/80/60/809168060.db2.gz YZMCXJGJODQKRE-UHFFFAOYSA-N -1 3 294.310 3.201 20 0 CGADHM Cc1cnc(Nc2cc(F)c([O-])c(F)c2)c(Cl)n1 ZINC001213373559 815271692 /nfs/dbraw/zinc/27/16/92/815271692.db2.gz LRIOXSGCLOKQFI-UHFFFAOYSA-N -1 3 271.654 3.166 20 0 CGADHM Nc1cc(Cl)ncc1Nc1cc(F)c([O-])c(F)c1 ZINC001213373687 815271763 /nfs/dbraw/zinc/27/17/63/815271763.db2.gz SMGWTPPOZRXKHV-UHFFFAOYSA-N -1 3 271.654 3.045 20 0 CGADHM CC(=O)c1cccnc1Nc1cc(F)c([O-])c(F)c1 ZINC001213373615 815271850 /nfs/dbraw/zinc/27/18/50/815271850.db2.gz OQUXLCCGZZRAAW-UHFFFAOYSA-N -1 3 264.231 3.012 20 0 CGADHM Cn1cc(Nc2cc(F)c([O-])c(F)c2)c(C(F)(F)F)n1 ZINC001213373455 815271935 /nfs/dbraw/zinc/27/19/35/815271935.db2.gz FTVAGISAGDNRFV-UHFFFAOYSA-N -1 3 293.195 3.166 20 0 CGADHM [O-]c1c(F)cc(Nc2cc(C(F)(F)F)no2)cc1F ZINC001213373802 815272067 /nfs/dbraw/zinc/27/20/67/815272067.db2.gz ZZEURZHHQVWDGA-UHFFFAOYSA-N -1 3 280.152 3.421 20 0 CGADHM COc1cc(Nc2cc(F)c([O-])c(F)c2)cnc1Cl ZINC001213375058 815272118 /nfs/dbraw/zinc/27/21/18/815272118.db2.gz NOIZDERFJOIHOT-UHFFFAOYSA-N -1 3 286.665 3.471 20 0 CGADHM [O-]c1c(F)cc(Nc2cc3ccccn3n2)cc1F ZINC001213377323 815273083 /nfs/dbraw/zinc/27/30/83/815273083.db2.gz JJSRUWQVCYKSIC-UHFFFAOYSA-N -1 3 261.231 3.062 20 0 CGADHM O=c1[nH]oc2ccc(Nc3c(F)cc([O-])cc3F)cc12 ZINC001175099565 809270621 /nfs/dbraw/zinc/27/06/21/809270621.db2.gz MYUIGXSDXCAQIP-UHFFFAOYSA-N -1 3 278.214 3.261 20 0 CGADHM O=C1CCc2ccc(Nc3c(F)cc([O-])cc3F)cc2N1 ZINC001175099685 809270666 /nfs/dbraw/zinc/27/06/66/809270666.db2.gz DYRFLYOTKWVAPL-UHFFFAOYSA-N -1 3 290.269 3.299 20 0 CGADHM CN(c1nc(Cl)ccc1N)c1c(F)ccc([O-])c1F ZINC001175262934 809329540 /nfs/dbraw/zinc/32/95/40/809329540.db2.gz DRQTZZGTUOWGNQ-UHFFFAOYSA-N -1 3 285.681 3.069 20 0 CGADHM [O-]c1ccc(F)c(Nc2cnn3cccc(F)c23)c1F ZINC001175264144 809329656 /nfs/dbraw/zinc/32/96/56/809329656.db2.gz AWRNTOCOFWREKR-UHFFFAOYSA-N -1 3 279.221 3.201 20 0 CGADHM Cn1ncc2c1cccc2Nc1c(F)ccc([O-])c1F ZINC001175269031 809332132 /nfs/dbraw/zinc/33/21/32/809332132.db2.gz XTUBWTZVTCNIMR-UHFFFAOYSA-N -1 3 275.258 3.301 20 0 CGADHM Nc1ccc(-c2cnn(-c3c(F)ccc([O-])c3F)c2)cc1 ZINC001175267862 809333072 /nfs/dbraw/zinc/33/30/72/809333072.db2.gz JPAUIORDGFSHFV-UHFFFAOYSA-N -1 3 287.269 3.105 20 0 CGADHM [O-]c1ccc(F)c(Nc2ccc3c(c2)OCC3)c1F ZINC001175268220 809333119 /nfs/dbraw/zinc/33/31/19/809333119.db2.gz NSDRKVSHLGCDAJ-UHFFFAOYSA-N -1 3 263.243 3.349 20 0 CGADHM Cn1cc2c(cccc2Nc2c(F)ccc([O-])c2F)n1 ZINC001175268345 809333366 /nfs/dbraw/zinc/33/33/66/809333366.db2.gz KRJWRQJUGBUZOC-UHFFFAOYSA-N -1 3 275.258 3.301 20 0 CGADHM O=C1NCc2cccc(Nc3c(F)ccc([O-])c3F)c2N1 ZINC001175271114 809334830 /nfs/dbraw/zinc/33/48/30/809334830.db2.gz SKGNNDBHPHYFPN-UHFFFAOYSA-N -1 3 291.257 3.049 20 0 CGADHM COc1ncc(C)cc1Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001175336739 809361592 /nfs/dbraw/zinc/36/15/92/809361592.db2.gz HNEUQWRCWNRZJR-UHFFFAOYSA-N -1 3 296.330 3.034 20 0 CGADHM COc1ncc(C)cc1Nc1cc(F)c([O-])cc1F ZINC001175339084 809365198 /nfs/dbraw/zinc/36/51/98/809365198.db2.gz NUBQYABBDOLEST-UHFFFAOYSA-N -1 3 266.247 3.126 20 0 CGADHM CN(C)c1ccc(Nc2cccc(Cl)c2[O-])cn1 ZINC001175343694 809368536 /nfs/dbraw/zinc/36/85/36/809368536.db2.gz MAIJEOOIYFNGPE-UHFFFAOYSA-N -1 3 263.728 3.250 20 0 CGADHM Cn1ncc2cc(Nc3ccc([O-])c(F)c3F)ccc21 ZINC001175423685 809400633 /nfs/dbraw/zinc/40/06/33/809400633.db2.gz BFUCBZFYSRHNQG-UHFFFAOYSA-N -1 3 275.258 3.301 20 0 CGADHM CCOc1ccc(C)cc1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175429992 809401148 /nfs/dbraw/zinc/40/11/48/809401148.db2.gz ZLALTCXAMGDNKP-UHFFFAOYSA-N -1 3 295.346 3.317 20 0 CGADHM Fc1cc(F)c(Nc2ccc(-c3nn[n-]n3)cc2)c(F)c1 ZINC001175428903 809401378 /nfs/dbraw/zinc/40/13/78/809401378.db2.gz AVWRCHBLGYPLKB-UHFFFAOYSA-N -1 3 291.236 3.028 20 0 CGADHM Cc1c(F)cccc1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175428448 809401829 /nfs/dbraw/zinc/40/18/29/809401829.db2.gz JRXLVQYIORQCAM-UHFFFAOYSA-N -1 3 269.283 3.058 20 0 CGADHM c1cc(-c2nn[n-]n2)ccc1Nc1ccc(C2CC2)cc1 ZINC001175432347 809402736 /nfs/dbraw/zinc/40/27/36/809402736.db2.gz BHNCSKLDYLTTMM-UHFFFAOYSA-N -1 3 277.331 3.488 20 0 CGADHM COc1cccc([O-])c1C(=O)NCc1cc2ccccc2o1 ZINC001290994048 809419569 /nfs/dbraw/zinc/41/95/69/809419569.db2.gz CPOCPMUWCGGIJV-UHFFFAOYSA-N -1 3 297.310 3.077 20 0 CGADHM C[C@H]1CC(C)(C)CC[C@H]1NC(=O)c1ccc(O)cc1[O-] ZINC001294395341 809467512 /nfs/dbraw/zinc/46/75/12/809467512.db2.gz DUMJTVLYSDWRRL-GXFFZTMASA-N -1 3 277.364 3.042 20 0 CGADHM Cc1cc(C)cc(CC(=O)NCc2ccc([O-])c(F)c2)c1 ZINC001294866656 809477064 /nfs/dbraw/zinc/47/70/64/809477064.db2.gz CQQXLLMYQQWOML-UHFFFAOYSA-N -1 3 287.334 3.007 20 0 CGADHM CSc1ncc(Nc2cccc(Cl)c2[O-])cn1 ZINC001175651203 809489113 /nfs/dbraw/zinc/48/91/13/809489113.db2.gz XGXDOPNCKBDXCD-UHFFFAOYSA-N -1 3 267.741 3.301 20 0 CGADHM CCc1cccc(C(=O)Nc2cc3n[nH]cc3c(C)c2)c1[O-] ZINC001295862083 809494459 /nfs/dbraw/zinc/49/44/59/809494459.db2.gz DNAZYFYQWHCTBO-UHFFFAOYSA-N -1 3 295.342 3.392 20 0 CGADHM Cc1[nH]nc2cc(Nc3ccnc(Cl)c3[O-])ccc12 ZINC001175660872 809495133 /nfs/dbraw/zinc/49/51/33/809495133.db2.gz XNOYPSLWGZUMSB-UHFFFAOYSA-N -1 3 274.711 3.369 20 0 CGADHM C/C(=C/c1ccncc1)C(=O)Nc1ccc(Cl)cc1[O-] ZINC001295971967 809496807 /nfs/dbraw/zinc/49/68/07/809496807.db2.gz KOHWDGBCJULBTM-NTMALXAHSA-N -1 3 288.734 3.483 20 0 CGADHM CCC[C@@H](CNC(=O)c1cc(SC)ccc1[O-])OCC ZINC001301428443 809584267 /nfs/dbraw/zinc/58/42/67/809584267.db2.gz IWXDUOLODAKMDK-NSHDSACASA-N -1 3 297.420 3.049 20 0 CGADHM CCc1ccc(C(=O)Nc2cc(C)cc(O)c2)c([O-])c1 ZINC001302050104 809589223 /nfs/dbraw/zinc/58/92/23/809589223.db2.gz XUXOHVYIRJRIMT-UHFFFAOYSA-N -1 3 271.316 3.221 20 0 CGADHM Cc1ncc(Nc2ccc(Oc3ccccc3)nc2)c(=O)[n-]1 ZINC001176377496 809682116 /nfs/dbraw/zinc/68/21/16/809682116.db2.gz VSNFLXZLCFFYHR-UHFFFAOYSA-N -1 3 294.314 3.422 20 0 CGADHM Cc1coc([N-]c2cn(C)nc2-c2ccccc2)n1 ZINC001176563463 809718194 /nfs/dbraw/zinc/71/81/94/809718194.db2.gz XBRKVMZKEKHOKF-UHFFFAOYSA-N -1 3 254.293 3.127 20 0 CGADHM O=C(/C=C/c1ccc[nH]1)Nc1cc([O-])cc(Cl)c1 ZINC001177938805 809834098 /nfs/dbraw/zinc/83/40/98/809834098.db2.gz FSCNZLVBNHSPPJ-ONEGZZNKSA-N -1 3 262.696 3.026 20 0 CGADHM COC(=O)Cc1cccc(Nc2cc([O-])c(F)cc2F)c1 ZINC001213716331 815325111 /nfs/dbraw/zinc/32/51/11/815325111.db2.gz YNEOXHLNNCIERA-UHFFFAOYSA-N -1 3 293.269 3.130 20 0 CGADHM Cc1nn(C)c2cc(Nc3ncc(Cl)cc3[O-])ccc12 ZINC001213752698 815327304 /nfs/dbraw/zinc/32/73/04/815327304.db2.gz IZQPGNOPWYKCAF-UHFFFAOYSA-N -1 3 288.738 3.379 20 0 CGADHM O=C(Cc1ccccc1)C(=O)[N-]c1cc(C2CCCC2)no1 ZINC001181375266 810048892 /nfs/dbraw/zinc/04/88/92/810048892.db2.gz GZJAAUMDGNUZDG-UHFFFAOYSA-N -1 3 298.342 3.083 20 0 CGADHM C[C@@H]1CCC[C@H](C(=O)Nc2ccc(F)c([O-])c2)C1 ZINC001184506952 810205041 /nfs/dbraw/zinc/20/50/41/810205041.db2.gz CGHRYCKQACWVNH-ZJUUUORDSA-N -1 3 251.301 3.296 20 0 CGADHM CC(=O)c1cccc(NC(=O)N[C@H](C)c2ccccc2)c1[O-] ZINC001185024023 810229477 /nfs/dbraw/zinc/22/94/77/810229477.db2.gz YGVQTVMOBFZNIV-LLVKDONJSA-N -1 3 298.342 3.478 20 0 CGADHM O=C(Nc1cc([O-])cc(Cl)c1)NC1CCCC1 ZINC001185902361 810300667 /nfs/dbraw/zinc/30/06/67/810300667.db2.gz CKVFZGSUMLQFRF-UHFFFAOYSA-N -1 3 254.717 3.110 20 0 CGADHM Cc1cccc(-c2noc(-c3ccc(F)c(=O)[n-]3)n2)c1C ZINC001214085745 815366626 /nfs/dbraw/zinc/36/66/26/815366626.db2.gz XCWHRWYRSGXMSO-UHFFFAOYSA-N -1 3 285.278 3.260 20 0 CGADHM Cc1cccc([O-])c1C(=O)N[C@@H](C)c1cccc(N(C)C)c1 ZINC001188659317 810500648 /nfs/dbraw/zinc/50/06/48/810500648.db2.gz QNJDETXYALQLOE-ZDUSSCGKSA-N -1 3 298.386 3.258 20 0 CGADHM Nc1ccc(F)cc1Nc1cc(F)c([O-])c(F)c1 ZINC001214208721 815384656 /nfs/dbraw/zinc/38/46/56/815384656.db2.gz KDBZMEAYAHAOMU-UHFFFAOYSA-N -1 3 254.211 3.135 20 0 CGADHM O=C(Nc1ccccn1)Nc1c([O-])cccc1Cl ZINC001191335667 810702659 /nfs/dbraw/zinc/70/26/59/810702659.db2.gz SMFZFPJKFHDNQJ-UHFFFAOYSA-N -1 3 263.684 3.085 20 0 CGADHM CCC[C@@H]1CCCC[C@H]1C[N-]S(=O)(=O)c1ccco1 ZINC001191347777 810704153 /nfs/dbraw/zinc/70/41/53/810704153.db2.gz LNHYNRPAWDCPOC-OLZOCXBDSA-N -1 3 285.409 3.164 20 0 CGADHM CC(=O)c1cc(C)ccc1[N-]S(=O)(=O)CC1CCCC1 ZINC001191535200 810723593 /nfs/dbraw/zinc/72/35/93/810723593.db2.gz HTZOFEMJUTXFBK-UHFFFAOYSA-N -1 3 295.404 3.130 20 0 CGADHM Cc1cc(O)cc([O-])c1C(=O)N1Cc2ccccc2[C@@H](C)C1 ZINC001193920207 810979802 /nfs/dbraw/zinc/97/98/02/810979802.db2.gz FPUDYGBVWZFNBM-LBPRGKRZSA-N -1 3 297.354 3.166 20 0 CGADHM Cc1cc(O)cc([O-])c1C(=O)NCCC1=CCCCC1 ZINC001193938882 810981591 /nfs/dbraw/zinc/98/15/91/810981591.db2.gz STUPJDMYWXMGGP-UHFFFAOYSA-N -1 3 275.348 3.027 20 0 CGADHM CCCOC(=O)Nc1ccc(C(=O)OC(C)(C)C)cc1[O-] ZINC001194130101 811019008 /nfs/dbraw/zinc/01/90/08/811019008.db2.gz BKYOPTUEHUNUTI-UHFFFAOYSA-N -1 3 295.335 3.306 20 0 CGADHM Cc1ccc(OC(=O)Nc2ccc([O-])c(F)c2)cc1 ZINC001194459421 811079124 /nfs/dbraw/zinc/07/91/24/811079124.db2.gz QRGLHTUZIRJWKW-UHFFFAOYSA-N -1 3 261.252 3.451 20 0 CGADHM Cc1nc2ccc(N)cc2n1-c1c(Cl)ccc([O-])c1F ZINC001214560016 815424424 /nfs/dbraw/zinc/42/44/24/815424424.db2.gz XWXGULWNXXRZIU-UHFFFAOYSA-N -1 3 291.713 3.414 20 0 CGADHM Cc1ccc([N-]S(=O)(=O)c2c(C)cccc2C)cc1 ZINC001194601984 811093433 /nfs/dbraw/zinc/09/34/33/811093433.db2.gz AOBANZNVYDEAHE-UHFFFAOYSA-N -1 3 275.373 3.413 20 0 CGADHM Cc1nccnc1Nc1c(Cl)ccc([O-])c1F ZINC001214554245 815423026 /nfs/dbraw/zinc/42/30/26/815423026.db2.gz NQUPHKWXRWMZLF-UHFFFAOYSA-N -1 3 253.664 3.027 20 0 CGADHM COc1ccc(Nc2c(Cl)ccc([O-])c2F)c(OC)n1 ZINC001214556552 815423241 /nfs/dbraw/zinc/42/32/41/815423241.db2.gz XCJHXHLZWUYJKB-UHFFFAOYSA-N -1 3 298.701 3.341 20 0 CGADHM Cc1cc(Nc2c(Cl)ccc([O-])c2F)nc(C)n1 ZINC001214554655 815423338 /nfs/dbraw/zinc/42/33/38/815423338.db2.gz XXKLZCUCJBWHFQ-UHFFFAOYSA-N -1 3 267.691 3.335 20 0 CGADHM Cc1cc(N)c2ccnc-2n1-c1c(Cl)ccc([O-])c1F ZINC001214558222 815424941 /nfs/dbraw/zinc/42/49/41/815424941.db2.gz TULRSZOBVPEAQG-UHFFFAOYSA-N -1 3 291.713 3.366 20 0 CGADHM Cc1cc(CO)ccc1Nc1ccc([O-])c(F)c1F ZINC001214664445 815439715 /nfs/dbraw/zinc/43/97/15/815439715.db2.gz DBTHVVIDQFZGDB-UHFFFAOYSA-N -1 3 265.259 3.215 20 0 CGADHM CSc1cccc(C(=O)Nc2nc(C)ccc2[O-])c1F ZINC001197093318 811398040 /nfs/dbraw/zinc/39/80/40/811398040.db2.gz VGCJQFBKCCXAEO-UHFFFAOYSA-N -1 3 292.335 3.209 20 0 CGADHM CC(=O)c1cc(Nc2cc(=O)[n-]c(C3CC3)n2)cs1 ZINC001214773721 815449092 /nfs/dbraw/zinc/44/90/92/815449092.db2.gz PAZCGBZFVMBJND-UHFFFAOYSA-N -1 3 275.333 3.067 20 0 CGADHM [O-]c1cc(NC(=S)Nc2ccccc2)ccc1F ZINC001200838687 811752858 /nfs/dbraw/zinc/75/28/58/811752858.db2.gz MNOZHOMJKUPMPL-UHFFFAOYSA-N -1 3 262.309 3.340 20 0 CGADHM CC(C)Oc1ccc(F)c(F)c1[N-]c1ncco1 ZINC001215071740 815480607 /nfs/dbraw/zinc/48/06/07/815480607.db2.gz BMROSOGJSBGXSV-UHFFFAOYSA-N -1 3 254.236 3.484 20 0 CGADHM Cc1ncc(Nc2c(F)c(F)ccc2OC(C)C)c(=O)[n-]1 ZINC001215076868 815481620 /nfs/dbraw/zinc/48/16/20/815481620.db2.gz ZNGBSWWGTLWKHS-UHFFFAOYSA-N -1 3 295.289 3.300 20 0 CGADHM [O-]c1ccccc1-c1nc(-c2cccc(F)c2F)no1 ZINC001215140299 815487876 /nfs/dbraw/zinc/48/78/76/815487876.db2.gz ZDLHXEBDMWRRAK-UHFFFAOYSA-N -1 3 274.226 3.387 20 0 CGADHM CC(C)(C)NC(=O)Nc1cc2ccccc2cc1[O-] ZINC001202479144 812103902 /nfs/dbraw/zinc/10/39/02/812103902.db2.gz PVSDMVJKKLQQJI-UHFFFAOYSA-N -1 3 258.321 3.465 20 0 CGADHM CCc1ccc(NC(=O)Nc2nc(C)ccc2[O-])cc1 ZINC001202934195 812203491 /nfs/dbraw/zinc/20/34/91/812203491.db2.gz KAMNLBOLUXQJKE-UHFFFAOYSA-N -1 3 271.320 3.302 20 0 CGADHM CC(=O)c1cc(-c2nc(-c3cccc(C)n3)no2)ccc1[O-] ZINC001215365782 815509821 /nfs/dbraw/zinc/50/98/21/815509821.db2.gz XQUARKITMHVHQE-UHFFFAOYSA-N -1 3 295.298 3.015 20 0 CGADHM [O-]c1c(F)cc(Br)cc1Nc1cnoc1 ZINC001203245719 812281096 /nfs/dbraw/zinc/28/10/96/812281096.db2.gz WSLQZURHYDCJFE-UHFFFAOYSA-N -1 3 273.061 3.025 20 0 CGADHM CCOc1c([N-]c2nonc2C2CC2)ccc(F)c1F ZINC001215412914 815518081 /nfs/dbraw/zinc/51/80/81/815518081.db2.gz HHRQPFAREWVVCX-UHFFFAOYSA-N -1 3 281.262 3.368 20 0 CGADHM Cc1ncc(Nc2cncc(Oc3ccccc3)c2)c(=O)[n-]1 ZINC001203560369 812392598 /nfs/dbraw/zinc/39/25/98/812392598.db2.gz JLGNFIPRSDWSAU-UHFFFAOYSA-N -1 3 294.314 3.422 20 0 CGADHM CC(C)(C)c1nc([N-]c2ccc3cncnc3c2)no1 ZINC001203695800 812429933 /nfs/dbraw/zinc/42/99/33/812429933.db2.gz GGNWNXPCYTTYSM-UHFFFAOYSA-N -1 3 269.308 3.054 20 0 CGADHM [O-]c1cc(F)c(Nc2cccn3ccnc23)cc1F ZINC001215570772 815536051 /nfs/dbraw/zinc/53/60/51/815536051.db2.gz NKFMHDJRZHHDAI-UHFFFAOYSA-N -1 3 261.231 3.062 20 0 CGADHM [O-]c1cc(F)c(Nc2ncc(O)cc2Cl)cc1F ZINC001215572533 815537264 /nfs/dbraw/zinc/53/72/64/815537264.db2.gz ISYYHZODDPMTRQ-UHFFFAOYSA-N -1 3 272.638 3.168 20 0 CGADHM COc1cc(Cl)ncc1Nc1cc(F)c([O-])cc1F ZINC001215572647 815537327 /nfs/dbraw/zinc/53/73/27/815537327.db2.gz OLROENVEDDUVCB-UHFFFAOYSA-N -1 3 286.665 3.471 20 0 CGADHM CCc1nc2ccc(Nc3cc(F)c([O-])cc3F)cn2n1 ZINC001215572743 815538611 /nfs/dbraw/zinc/53/86/11/815538611.db2.gz SZBRSOOIRHDDHY-UHFFFAOYSA-N -1 3 290.273 3.019 20 0 CGADHM Nc1cccc2c1CCCN2c1cc(F)c([O-])cc1F ZINC001215575744 815538933 /nfs/dbraw/zinc/53/89/33/815538933.db2.gz DXWUHDLQVFYDKZ-UHFFFAOYSA-N -1 3 276.286 3.337 20 0 CGADHM Cc1nc(-c2ccc([O-])cc2C(F)(F)F)nc2[nH]cnc21 ZINC001205066615 812844308 /nfs/dbraw/zinc/84/43/08/812844308.db2.gz UHRJKUDMBNNLEI-UHFFFAOYSA-N -1 3 294.236 3.004 20 0 CGADHM Cc1ncccc1Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001205351704 812966724 /nfs/dbraw/zinc/96/67/24/812966724.db2.gz PSJXUUDVDRFEIL-UHFFFAOYSA-N -1 3 266.304 3.025 20 0 CGADHM CC(C)Cn1cc(Nc2cc([O-])c(F)cc2F)cn1 ZINC001205864198 813113872 /nfs/dbraw/zinc/11/38/72/813113872.db2.gz SBFVGFRZMZUVSP-UHFFFAOYSA-N -1 3 267.279 3.267 20 0 CGADHM [O-]c1ccc(-c2ncnc3ccc(F)cc32)c(F)c1 ZINC001206021834 813168504 /nfs/dbraw/zinc/16/85/04/813168504.db2.gz QJEZRBWVJYOUIV-UHFFFAOYSA-N -1 3 258.227 3.281 20 0 CGADHM [O-]c1ccc(-c2cnc(OCC3CCC3)nc2)c(F)c1 ZINC001206080211 813193149 /nfs/dbraw/zinc/19/31/49/813193149.db2.gz CYCMPMFONSWXEJ-UHFFFAOYSA-N -1 3 274.295 3.167 20 0 CGADHM CCCOc1ccc(-c2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC001206149832 813214239 /nfs/dbraw/zinc/21/42/39/813214239.db2.gz XCVXPXAIAVZOFB-UHFFFAOYSA-N -1 3 298.321 3.462 20 0 CGADHM CCCOc1ccc(-c2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC001206149832 813214243 /nfs/dbraw/zinc/21/42/43/813214243.db2.gz XCVXPXAIAVZOFB-UHFFFAOYSA-N -1 3 298.321 3.462 20 0 CGADHM Cc1ccc(Nc2ccc([O-])c(F)c2F)c(O)c1 ZINC001206274485 813266987 /nfs/dbraw/zinc/26/69/87/813266987.db2.gz JSGOLAQYMFKLBD-UHFFFAOYSA-N -1 3 251.232 3.428 20 0 CGADHM c1cc(OCC2CC2)cc(-c2ccc(-c3nnn[n-]3)cc2)c1 ZINC001206770503 813432029 /nfs/dbraw/zinc/43/20/29/813432029.db2.gz OZSJBPUHOFCWFV-UHFFFAOYSA-N -1 3 292.342 3.323 20 0 CGADHM c1cc(OCC2CC2)cc(-c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001206770503 813432032 /nfs/dbraw/zinc/43/20/32/813432032.db2.gz OZSJBPUHOFCWFV-UHFFFAOYSA-N -1 3 292.342 3.323 20 0 CGADHM [O-]c1cccc(Nc2ccc(F)c(CO)c2)c1Cl ZINC001209878402 814183691 /nfs/dbraw/zinc/18/36/91/814183691.db2.gz KWLKBZDGFSPVJO-UHFFFAOYSA-N -1 3 267.687 3.421 20 0 CGADHM [O-]c1cc(Cl)c(Nc2ccnnc2)cc1Cl ZINC001209961324 814214741 /nfs/dbraw/zinc/21/47/41/814214741.db2.gz PISFCXVAJCAWNU-UHFFFAOYSA-N -1 3 256.092 3.233 20 0 CGADHM O=C1CCc2c1cccc2Nc1ccc(F)cc1[O-] ZINC001210018799 814246591 /nfs/dbraw/zinc/24/65/91/814246591.db2.gz SHRUSMKVYCGDCJ-UHFFFAOYSA-N -1 3 257.264 3.404 20 0 CGADHM CC(=O)c1cccc(Nc2cccc(F)c2[O-])c1O ZINC001210199326 814336001 /nfs/dbraw/zinc/33/60/01/814336001.db2.gz DUGSJTPEOSWHER-UHFFFAOYSA-N -1 3 261.252 3.183 20 0 CGADHM CNC(=O)c1ccc(Nc2cccc(Cl)c2[O-])cc1F ZINC001210223263 814350634 /nfs/dbraw/zinc/35/06/34/814350634.db2.gz LQDCGYFUDHVCOH-UHFFFAOYSA-N -1 3 294.713 3.288 20 0 CGADHM CC(C)n1ccc([N-]c2nc3c(s2)C(=O)CCC3)n1 ZINC001210336560 814410163 /nfs/dbraw/zinc/41/01/63/814410163.db2.gz XQKVWRJUFVAATC-UHFFFAOYSA-N -1 3 276.365 3.183 20 0 CGADHM COc1cc(C)nc(-c2cc([O-])cc(C(F)(F)F)c2)n1 ZINC001242780879 823130911 /nfs/dbraw/zinc/13/09/11/823130911.db2.gz WPJFDYKTNXCTAL-UHFFFAOYSA-N -1 3 284.237 3.185 20 0 CGADHM CCc1nnc(-c2cc([O-])cc(C(F)(F)F)c2)nc1CC ZINC001242782589 823131766 /nfs/dbraw/zinc/13/17/66/823131766.db2.gz TUVUUAQZORNYMD-UHFFFAOYSA-N -1 3 297.280 3.388 20 0 CGADHM NC(=O)c1ccc(F)cc1Nc1cccc([O-])c1Cl ZINC001210854568 814651980 /nfs/dbraw/zinc/65/19/80/814651980.db2.gz FJBDYIFWYZGJEA-UHFFFAOYSA-N -1 3 280.686 3.027 20 0 CGADHM CCOC(=O)c1ccc(Nc2cccc([O-])c2Cl)cn1 ZINC001210854097 814652679 /nfs/dbraw/zinc/65/26/79/814652679.db2.gz ZNEOLYOKSCLHEY-UHFFFAOYSA-N -1 3 292.722 3.361 20 0 CGADHM C[C@H](O)c1ccnc(Nc2cccc([O-])c2Cl)c1 ZINC001210855764 814653910 /nfs/dbraw/zinc/65/39/10/814653910.db2.gz VTWMLYPZJIKRDM-QMMMGPOBSA-N -1 3 264.712 3.238 20 0 CGADHM [O-]c1c(F)cc(Nc2cnn3ccccc23)cc1F ZINC001211098455 814744813 /nfs/dbraw/zinc/74/48/13/814744813.db2.gz ZTDCMSXDTMHJFG-UHFFFAOYSA-N -1 3 261.231 3.062 20 0 CGADHM [O-]c1ccc(Nc2ccc(F)c(O)c2)c(F)c1F ZINC001211216845 814853395 /nfs/dbraw/zinc/85/33/95/814853395.db2.gz OFEPYOBSCAGGAR-UHFFFAOYSA-N -1 3 255.195 3.259 20 0 CGADHM COc1cc(Nc2ccc(F)c([O-])c2)ccc1C(C)=O ZINC001211220254 814853959 /nfs/dbraw/zinc/85/39/59/814853959.db2.gz AMXDIKSQPRYJJX-UHFFFAOYSA-N -1 3 275.279 3.486 20 0 CGADHM Nc1cc2cn(-c3ccc(F)c([O-])c3)nc2cc1Cl ZINC001211220216 814854258 /nfs/dbraw/zinc/85/42/58/814854258.db2.gz AFVUJUBBVYMCQR-UHFFFAOYSA-N -1 3 277.686 3.106 20 0 CGADHM Cc1cc(Nc2cc(=O)n(-c3ccccc3)[n-]2)ccc1CO ZINC001211574850 814910362 /nfs/dbraw/zinc/91/03/62/814910362.db2.gz CSEXFDJBYDLWCJ-UHFFFAOYSA-N -1 3 295.342 3.122 20 0 CGADHM CSc1ncc(Nc2ncc(F)cc2[O-])cc1Cl ZINC001216028623 815664835 /nfs/dbraw/zinc/66/48/35/815664835.db2.gz YKKHGMJUWXPFMS-UHFFFAOYSA-N -1 3 285.731 3.440 20 0 CGADHM COc1cnc(F)c([N-]c2cc(-c3ccco3)no2)c1 ZINC001216407327 815816418 /nfs/dbraw/zinc/81/64/18/815816418.db2.gz FXZSPPUIRWQGKS-UHFFFAOYSA-N -1 3 275.239 3.221 20 0 CGADHM Cc1cc(-c2noc(-c3c(C)cccc3[O-])n2)cc(C)n1 ZINC001216540431 815853687 /nfs/dbraw/zinc/85/36/87/815853687.db2.gz ULBXAYLOJZNNMW-UHFFFAOYSA-N -1 3 281.315 3.429 20 0 CGADHM Cc1noc2ccc(Nc3ncc(F)cc3[O-])cc12 ZINC001216638353 815883555 /nfs/dbraw/zinc/88/35/55/815883555.db2.gz GRRLXPYUWWQUPH-UHFFFAOYSA-N -1 3 259.240 3.120 20 0 CGADHM Cc1csc([N-]c2ccn(C(=O)OC(C)(C)C)n2)n1 ZINC001216668754 815889958 /nfs/dbraw/zinc/88/99/58/815889958.db2.gz MTFKQCKBCBKQTJ-UHFFFAOYSA-N -1 3 280.353 3.175 20 0 CGADHM [O-]c1cc(Cl)cc(-c2nc(-c3ccncc3)no2)c1 ZINC001216702007 815894231 /nfs/dbraw/zinc/89/42/31/815894231.db2.gz GXAQKQFUYPAUGU-UHFFFAOYSA-N -1 3 273.679 3.158 20 0 CGADHM COc1cc([O-])ccc1-c1nc(-c2cnc(C)c(C)c2)no1 ZINC001217085014 815908648 /nfs/dbraw/zinc/90/86/48/815908648.db2.gz FDUXEOQAQJOESF-UHFFFAOYSA-N -1 3 297.314 3.130 20 0 CGADHM COC(=O)CCc1ccccc1-c1ccc(F)c([O-])c1 ZINC001243047100 823224926 /nfs/dbraw/zinc/22/49/26/823224926.db2.gz CJIMMLFAXNSBRP-UHFFFAOYSA-N -1 3 274.291 3.304 20 0 CGADHM COC(=O)n1ccc2ccc(-c3ccc(F)c([O-])c3)nc21 ZINC001243048086 823225158 /nfs/dbraw/zinc/22/51/58/823225158.db2.gz FNWJITWSIRYCRT-UHFFFAOYSA-N -1 3 286.262 3.163 20 0 CGADHM Cc1ccc2ncnc(-c3ccc(F)c([O-])c3)c2c1 ZINC001243048543 823225859 /nfs/dbraw/zinc/22/58/59/823225859.db2.gz LVQINXHTINHGHJ-UHFFFAOYSA-N -1 3 254.264 3.450 20 0 CGADHM [O-]c1cc(-c2ccc(-c3ccco3)nn2)ccc1F ZINC001243050904 823227576 /nfs/dbraw/zinc/22/75/76/823227576.db2.gz UVKCQPWWKLJYMV-UHFFFAOYSA-N -1 3 256.236 3.248 20 0 CGADHM Cc1cnc(F)c([C@H](C)Oc2ccc3c([O-])coc3c2)c1 ZINC001225340712 817017668 /nfs/dbraw/zinc/01/76/68/817017668.db2.gz RMROLBKEXPHSEW-JTQLQIEISA-N -1 3 287.290 3.244 20 0 CGADHM Cc1cnc(=S)[n-]c1O[C@@H](C(C)C)C(F)(F)F ZINC001225742165 817163656 /nfs/dbraw/zinc/16/36/56/817163656.db2.gz HZSBXBTUCNTGPI-ZETCQYMHSA-N -1 3 266.288 3.039 20 0 CGADHM Cc1cnc(=S)[n-]c1O[C@H](C)Cc1ccccc1 ZINC001225743090 817164169 /nfs/dbraw/zinc/16/41/69/817164169.db2.gz SORSRMCOLGQFPE-LLVKDONJSA-N -1 3 260.362 3.084 20 0 CGADHM C[C@H](Oc1[n-]c(=S)ncc1C1CC1)c1ccncc1F ZINC001226119219 817278600 /nfs/dbraw/zinc/27/86/00/817278600.db2.gz LRLPQCSFGOLGMD-QMMMGPOBSA-N -1 3 291.351 3.317 20 0 CGADHM CCCC(=O)[C@@H](CCC)Oc1c([O-])ccc(C(C)=O)c1O ZINC001226481285 817371655 /nfs/dbraw/zinc/37/16/55/817371655.db2.gz DXDKUZUKBZEREN-CQSZACIVSA-N -1 3 294.347 3.217 20 0 CGADHM Cc1nc(O[C@H]2CCc3cc(Cl)ccc32)cc(=O)[n-]1 ZINC001226511110 817381578 /nfs/dbraw/zinc/38/15/78/817381578.db2.gz VGFKHEYTVJPMMA-LBPRGKRZSA-N -1 3 276.723 3.210 20 0 CGADHM C[C@@H]1CCCC[C@@H]1Oc1c([O-])ccc2ccc(=O)oc21 ZINC001226595487 817407910 /nfs/dbraw/zinc/40/79/10/817407910.db2.gz DILOVNGEZXIHOC-MFKMUULPSA-N -1 3 274.316 3.456 20 0 CGADHM COC(=O)[C@H]1CCC[C@H](Oc2cccc([O-])c2Cl)C1 ZINC001226708185 817440985 /nfs/dbraw/zinc/44/09/85/817440985.db2.gz CMIKWGPGSINPTK-UWVGGRQHSA-N -1 3 284.739 3.156 20 0 CGADHM Cc1cc(COc2cc(=O)[n-]cn2)cc(C)c1OC(C)C ZINC001226944690 817512199 /nfs/dbraw/zinc/51/21/99/817512199.db2.gz HUALBHKOXGGFSN-UHFFFAOYSA-N -1 3 288.347 3.165 20 0 CGADHM S=c1nccc(O[C@H]2CCc3ccc(Cl)cc32)[n-]1 ZINC001226944208 817512611 /nfs/dbraw/zinc/51/26/11/817512611.db2.gz XOODIWSSZOCAGX-NSHDSACASA-N -1 3 278.764 3.485 20 0 CGADHM C[C@H](Oc1cnc[n-]c1=O)c1ccccc1C(F)(F)F ZINC001227048193 817542873 /nfs/dbraw/zinc/54/28/73/817542873.db2.gz AHGOUQNAGMKCNO-QMMMGPOBSA-N -1 3 284.237 3.341 20 0 CGADHM Cc1ccccc1[C@@H](C)Oc1[nH]c(=S)nc2nc[n-]c21 ZINC001227612802 817681256 /nfs/dbraw/zinc/68/12/56/817681256.db2.gz ITZHHNSXZYJMAN-SECBINFHSA-N -1 3 286.360 3.090 20 0 CGADHM COC(=O)c1ccc([O-])c(O[C@H]2C[C@H](C)CC(C)(C)C2)n1 ZINC001227819523 817726865 /nfs/dbraw/zinc/72/68/65/817726865.db2.gz CHKQMCNKEDDPCB-QWRGUYRKSA-N -1 3 293.363 3.167 20 0 CGADHM Cc1cnc(F)c([C@H](C)Oc2ncc(Cl)cc2[O-])c1 ZINC001227983926 817772926 /nfs/dbraw/zinc/77/29/26/817772926.db2.gz WUPPTBKJWPMLQU-QMMMGPOBSA-N -1 3 282.702 3.423 20 0 CGADHM O=C(c1ccccc1)c1ccc([O-])c(OC2CC2)c1 ZINC001228154135 817827208 /nfs/dbraw/zinc/82/72/08/817827208.db2.gz JKZUGSSUVNDSGC-UHFFFAOYSA-N -1 3 254.285 3.164 20 0 CGADHM CCC[C@@H](Oc1n[n-]c(-c2ccncc2)n1)C(C)C ZINC001228697382 817976911 /nfs/dbraw/zinc/97/69/11/817976911.db2.gz KLTBXRUJYUKNGE-GFCCVEGCSA-N -1 3 260.341 3.070 20 0 CGADHM C[C@@H]1CCC[C@@H](Oc2n[n-]c(-c3ccncc3)n2)[C@H]1C ZINC001228699972 817978957 /nfs/dbraw/zinc/97/89/57/817978957.db2.gz MFGYFLKTVTUTLZ-NTZNESFSSA-N -1 3 272.352 3.070 20 0 CGADHM CC(C)[C@H](Oc1cc2c(cc1[O-])CCC2=O)C(F)(F)F ZINC001228855009 818024138 /nfs/dbraw/zinc/02/41/38/818024138.db2.gz AMJVVHWLTMIRLK-ZDUSSCGKSA-N -1 3 288.265 3.487 20 0 CGADHM CC(C)=CCC[C@@H](C)Oc1cccc(-c2nnn[n-]2)c1 ZINC001231118313 818035327 /nfs/dbraw/zinc/03/53/27/818035327.db2.gz LILBJGLTJXNLAK-GFCCVEGCSA-N -1 3 272.352 3.380 20 0 CGADHM CC(C)=CCC[C@@H](C)Oc1cccc(-c2nn[n-]n2)c1 ZINC001231118313 818035332 /nfs/dbraw/zinc/03/53/32/818035332.db2.gz LILBJGLTJXNLAK-GFCCVEGCSA-N -1 3 272.352 3.380 20 0 CGADHM C[C@@H]1CC[C@H](Oc2cccc(-c3nnn[n-]3)c2)C[C@H]1C ZINC001231118976 818036560 /nfs/dbraw/zinc/03/65/60/818036560.db2.gz XPMSYXPIPDQAQY-GYSYKLTISA-N -1 3 272.352 3.070 20 0 CGADHM C[C@@H]1CC[C@H](Oc2cccc(-c3nn[n-]n3)c2)C[C@H]1C ZINC001231118976 818036568 /nfs/dbraw/zinc/03/65/68/818036568.db2.gz XPMSYXPIPDQAQY-GYSYKLTISA-N -1 3 272.352 3.070 20 0 CGADHM C[C@]1(F)CCCN(Cc2cc(C(=O)[O-])ccc2F)CC1 ZINC001231456715 818103050 /nfs/dbraw/zinc/10/30/50/818103050.db2.gz GQCRBZDZKMMBMO-HNNXBMFYSA-N -1 3 283.318 3.238 20 0 CGADHM C[C@@H]1CCCN(Cc2cc([O-])c(F)c(F)c2)CC1 ZINC001232971007 818487375 /nfs/dbraw/zinc/48/73/75/818487375.db2.gz QHVWFZPEXNTSIK-SNVBAGLBSA-N -1 3 255.308 3.292 20 0 CGADHM C[C@@H]1CCN(Cc2cc([O-])c(F)c(F)c2)[C@@H](C)C1 ZINC001232973438 818489745 /nfs/dbraw/zinc/48/97/45/818489745.db2.gz YAPWMXBISVNKIU-ZJUUUORDSA-N -1 3 255.308 3.291 20 0 CGADHM Cc1cc([O-])c(Cl)cc1O[C@H](C)c1cnccn1 ZINC001233594034 818653462 /nfs/dbraw/zinc/65/34/62/818653462.db2.gz HICIJDBXQFPMJM-SECBINFHSA-N -1 3 264.712 3.284 20 0 CGADHM CC(C)Oc1cc(COc2cccc([O-])c2F)c(F)cn1 ZINC001233869838 818720451 /nfs/dbraw/zinc/72/04/51/818720451.db2.gz LGTNDJKMLOVXDP-UHFFFAOYSA-N -1 3 295.285 3.432 20 0 CGADHM C[C@H](COc1cccc([O-])c1F)Oc1ccccc1 ZINC001233870798 818721798 /nfs/dbraw/zinc/72/17/98/818721798.db2.gz ISLFZNUMQKAPHD-LLVKDONJSA-N -1 3 262.280 3.378 20 0 CGADHM CCOC(=O)[C@H]1CCC[C@H](Oc2cccc([O-])c2F)C1 ZINC001233873135 818722528 /nfs/dbraw/zinc/72/25/28/818722528.db2.gz WFIKFJXOFIKYCJ-QWRGUYRKSA-N -1 3 282.311 3.032 20 0 CGADHM CC(C)[C@@H](Oc1cccc([O-])c1C(N)=O)c1ccccc1 ZINC001234149564 818792439 /nfs/dbraw/zinc/79/24/39/818792439.db2.gz PBXBUEJZPVREKF-MRXNPFEDSA-N -1 3 285.343 3.267 20 0 CGADHM CC(C)N1CC[C@H](Oc2c(Cl)ccc([O-])c2F)C1 ZINC001234263504 818821176 /nfs/dbraw/zinc/82/11/76/818821176.db2.gz CEGDWWQACYFMPR-VIFPVBQESA-N -1 3 273.735 3.046 20 0 CGADHM CO[C@H](C)CO[C@H](C)COc1c([O-])cc(Cl)cc1F ZINC001234445082 818856484 /nfs/dbraw/zinc/85/64/84/818856484.db2.gz WSKDVKLXXHQMMB-RKDXNWHRSA-N -1 3 292.734 3.004 20 0 CGADHM COc1cc([O-])c(C)c(O[C@H](C)C(C)C)c1C(C)=O ZINC001234789683 818924570 /nfs/dbraw/zinc/92/45/70/818924570.db2.gz BJRZDSPCHDQXEG-LLVKDONJSA-N -1 3 266.337 3.335 20 0 CGADHM COc1cc([O-])c(C)c(OC2CC(F)(F)C2)c1C(C)=O ZINC001234792139 818924897 /nfs/dbraw/zinc/92/48/97/818924897.db2.gz WZNOIWVUFRSBSY-UHFFFAOYSA-N -1 3 286.274 3.088 20 0 CGADHM CC[C@H](C)[C@H](C)Oc1nc(=O)[n-]c2c1SCCC2 ZINC001234905282 818949313 /nfs/dbraw/zinc/94/93/13/818949313.db2.gz CZDHQLCGGHKIEZ-IUCAKERBSA-N -1 3 268.382 3.034 20 0 CGADHM [O-]c1cc(Cl)cc(-c2ncnc3[nH]cc(F)c32)c1 ZINC001235898730 819207702 /nfs/dbraw/zinc/20/77/02/819207702.db2.gz BLCRZMKVENMZES-UHFFFAOYSA-N -1 3 263.659 3.075 20 0 CGADHM [O-]c1cc(Cl)cc(-c2nnc3ccccc3n2)c1 ZINC001235900229 819210477 /nfs/dbraw/zinc/21/04/77/819210477.db2.gz MCVCOGRAPGNQFB-UHFFFAOYSA-N -1 3 257.680 3.051 20 0 CGADHM [O-]c1cc(Cl)cc(-c2ncc(C(F)F)cn2)c1 ZINC001235901965 819211610 /nfs/dbraw/zinc/21/16/10/819211610.db2.gz ZWXWXIJTVDADBQ-UHFFFAOYSA-N -1 3 256.639 3.440 20 0 CGADHM COc1cnc(F)c(-c2c(F)ccc(C)c2[O-])c1 ZINC001236402808 819452201 /nfs/dbraw/zinc/45/22/01/819452201.db2.gz NSSMKYXLSMLASY-UHFFFAOYSA-N -1 3 251.232 3.049 20 0 CGADHM C[C@@H]1CCCN(Cc2ccc(Br)c([O-])c2)C1 ZINC001236692472 819574667 /nfs/dbraw/zinc/57/46/67/819574667.db2.gz QCDIFPYEVOKKQA-SNVBAGLBSA-N -1 3 284.197 3.387 20 0 CGADHM [O-]c1cc(CN2Cc3ccc(F)cc3C2)ccc1F ZINC001236706464 819577247 /nfs/dbraw/zinc/57/72/47/819577247.db2.gz XUXJDGUYNJMZIP-UHFFFAOYSA-N -1 3 261.271 3.186 20 0 CGADHM C[C@H]1CN(Cc2cc(Cl)nc(Cl)c2[O-])C2(CC2)C1 ZINC001237523105 819770005 /nfs/dbraw/zinc/77/00/05/819770005.db2.gz OQSMJFJVCJTMAG-MRVPVSSYSA-N -1 3 287.190 3.468 20 0 CGADHM Cc1nc2c(c(-c3cccc([O-])c3F)n1)CCCC2 ZINC001243543127 823436468 /nfs/dbraw/zinc/43/64/68/823436468.db2.gz QOOMRPUHUOLZJL-UHFFFAOYSA-N -1 3 258.296 3.176 20 0 CGADHM CCOC(=O)c1ccnc(-c2cccc([O-])c2F)c1C ZINC001243542528 823436574 /nfs/dbraw/zinc/43/65/74/823436574.db2.gz NNBIJBPXKIWWCY-UHFFFAOYSA-N -1 3 275.279 3.078 20 0 CGADHM C[S@](=N)(=O)c1ccc(-c2cccc([O-])c2F)cc1 ZINC001243547990 823440395 /nfs/dbraw/zinc/44/03/95/823440395.db2.gz XCNIGYVQZBLSOF-SFHVURJKSA-N -1 3 265.309 3.234 20 0 CGADHM [O-]c1c(F)cc(CN2C[C@@H]3CCC[C@@H]3C2)cc1Cl ZINC001237985551 819903224 /nfs/dbraw/zinc/90/32/24/819903224.db2.gz ZFTLUTRUQZEDOQ-PHIMTYICSA-N -1 3 269.747 3.417 20 0 CGADHM [O-]c1cccc(-c2ccc(-n3cccc3)cn2)c1F ZINC001243544631 823437287 /nfs/dbraw/zinc/43/72/87/823437287.db2.gz SPCSLBGCALBDHS-UHFFFAOYSA-N -1 3 254.264 3.384 20 0 CGADHM CC(=O)Nc1ccc(-c2cccc([O-])c2F)cc1C ZINC001243545818 823438219 /nfs/dbraw/zinc/43/82/19/823438219.db2.gz CACHDJKTEHSQNV-UHFFFAOYSA-N -1 3 259.280 3.465 20 0 CGADHM O=c1cc(-c2cccc([O-])c2F)ccn1Cc1ccccc1 ZINC001243545360 823438373 /nfs/dbraw/zinc/43/83/73/823438373.db2.gz GEPQWUYNNOPICD-UHFFFAOYSA-N -1 3 295.313 3.408 20 0 CGADHM [O-]c1cccc(-c2ncccc2C2CCOCC2)c1F ZINC001243546376 823438763 /nfs/dbraw/zinc/43/87/63/823438763.db2.gz LHGILXQXOGIXTN-UHFFFAOYSA-N -1 3 273.307 3.487 20 0 CGADHM COC(=O)c1cccc(-c2cccc([O-])c2F)c1C ZINC001243546452 823438869 /nfs/dbraw/zinc/43/88/69/823438869.db2.gz NIUXJUPIADDATI-UHFFFAOYSA-N -1 3 260.264 3.293 20 0 CGADHM [O-]c1cccc(-c2cncc(-c3ncco3)c2)c1F ZINC001243546686 823439096 /nfs/dbraw/zinc/43/90/96/823439096.db2.gz RYJYCUOLXBKGII-UHFFFAOYSA-N -1 3 256.236 3.248 20 0 CGADHM CSc1cc(F)cc(-c2cccc(-c3nnn[n-]3)c2)c1 ZINC001243562935 823446820 /nfs/dbraw/zinc/44/68/20/823446820.db2.gz PVRFYUOJEBGRBN-UHFFFAOYSA-N -1 3 286.335 3.395 20 0 CGADHM CSc1cc(F)cc(-c2cccc(-c3nn[n-]n3)c2)c1 ZINC001243562935 823446822 /nfs/dbraw/zinc/44/68/22/823446822.db2.gz PVRFYUOJEBGRBN-UHFFFAOYSA-N -1 3 286.335 3.395 20 0 CGADHM COC(=O)[C@@H](C)c1cccc(-c2cccc([O-])c2F)c1 ZINC001243549388 823441036 /nfs/dbraw/zinc/44/10/36/823441036.db2.gz ZWSRNRJVRNXNKT-JTQLQIEISA-N -1 3 274.291 3.475 20 0 CGADHM O=C([O-])c1cc(F)ccc1CN1CC(c2ccccc2)C1 ZINC001238238557 819966176 /nfs/dbraw/zinc/96/61/76/819966176.db2.gz PEAJCMZQJYLAAU-UHFFFAOYSA-N -1 3 285.318 3.123 20 0 CGADHM [O-]c1cc(C(F)(F)F)ccc1-c1cccn2ncnc12 ZINC001243605574 823464358 /nfs/dbraw/zinc/46/43/58/823464358.db2.gz IGSGOMWWDZWZRL-UHFFFAOYSA-N -1 3 279.221 3.121 20 0 CGADHM CC(C)Oc1ncc(Cl)cc1-c1ccc(=S)[n-]n1 ZINC001239314538 820261430 /nfs/dbraw/zinc/26/14/30/820261430.db2.gz KTRKRJAZPFAOMW-UHFFFAOYSA-N -1 3 281.768 3.268 20 0 CGADHM NC(=O)c1ccc(F)c(-c2ccc(C(F)(F)F)cc2[O-])c1 ZINC001243612335 823467095 /nfs/dbraw/zinc/46/70/95/823467095.db2.gz XIBLQJCUZSSMNU-UHFFFAOYSA-N -1 3 299.223 3.316 20 0 CGADHM CC(F)(F)c1ccc(-c2cncc(-c3nnn[n-]3)c2)cc1 ZINC001243646297 823474667 /nfs/dbraw/zinc/47/46/67/823474667.db2.gz RWTVWOPFWRAZLV-UHFFFAOYSA-N -1 3 287.273 3.040 20 0 CGADHM CC(F)(F)c1ccc(-c2cncc(-c3nn[n-]n3)c2)cc1 ZINC001243646297 823474669 /nfs/dbraw/zinc/47/46/69/823474669.db2.gz RWTVWOPFWRAZLV-UHFFFAOYSA-N -1 3 287.273 3.040 20 0 CGADHM COc1ccc(C(C)C)cc1-c1cncc(-c2nnn[n-]2)c1 ZINC001239659917 820496339 /nfs/dbraw/zinc/49/63/39/820496339.db2.gz DEXFNTDWCLONFM-UHFFFAOYSA-N -1 3 295.346 3.061 20 0 CGADHM COc1ccc(C(C)C)cc1-c1cncc(-c2nn[n-]n2)c1 ZINC001239659917 820496345 /nfs/dbraw/zinc/49/63/45/820496345.db2.gz DEXFNTDWCLONFM-UHFFFAOYSA-N -1 3 295.346 3.061 20 0 CGADHM Cc1ccc(F)c(-c2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC001239964842 820744232 /nfs/dbraw/zinc/74/42/32/820744232.db2.gz OEPVFGUHTBJHQB-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM Cc1ccc(F)c(-c2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC001239964842 820744235 /nfs/dbraw/zinc/74/42/35/820744235.db2.gz OEPVFGUHTBJHQB-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM CNC(=O)c1cccc(-c2ccc3c(c2)[N-]C(=S)C3)c1 ZINC001240016443 820781671 /nfs/dbraw/zinc/78/16/71/820781671.db2.gz OHAOPIACLYVDFP-UHFFFAOYSA-N -1 3 282.368 3.009 20 0 CGADHM Cc1ccc(-c2ccc(Cc3nnn[n-]3)cc2)cc1C ZINC001240701663 821258186 /nfs/dbraw/zinc/25/81/86/821258186.db2.gz FSNSMIIDFWWLSG-UHFFFAOYSA-N -1 3 264.332 3.074 20 0 CGADHM Cc1ccc(-c2ccc(Cc3nn[n-]n3)cc2)cc1C ZINC001240701663 821258193 /nfs/dbraw/zinc/25/81/93/821258193.db2.gz FSNSMIIDFWWLSG-UHFFFAOYSA-N -1 3 264.332 3.074 20 0 CGADHM COc1ccc(-c2nnn[n-]2)cc1-c1cccc2[nH]ccc21 ZINC001240713564 821269357 /nfs/dbraw/zinc/26/93/57/821269357.db2.gz USQJXSZNLJGRMJ-UHFFFAOYSA-N -1 3 291.314 3.024 20 0 CGADHM COc1ccc(-c2nn[n-]n2)cc1-c1cccc2[nH]ccc21 ZINC001240713564 821269363 /nfs/dbraw/zinc/26/93/63/821269363.db2.gz USQJXSZNLJGRMJ-UHFFFAOYSA-N -1 3 291.314 3.024 20 0 CGADHM CSc1ncc(C)c(-c2ccc([O-])c(F)c2)n1 ZINC001240782552 821321449 /nfs/dbraw/zinc/32/14/49/821321449.db2.gz ACRDXAUYHWMBBB-UHFFFAOYSA-N -1 3 250.298 3.019 20 0 CGADHM COC(=O)/C=C/c1cc(C)cnc1-c1ccc([O-])c(F)c1 ZINC001240783748 821323700 /nfs/dbraw/zinc/32/37/00/821323700.db2.gz YQFBLBNWUYLOAA-GQCTYLIASA-N -1 3 287.290 3.088 20 0 CGADHM [O-]c1ccc(-c2cc(-c3ccncc3)ncn2)cc1F ZINC001240783701 821324121 /nfs/dbraw/zinc/32/41/21/821324121.db2.gz YFAGKFXPZOGDQD-UHFFFAOYSA-N -1 3 267.263 3.050 20 0 CGADHM COc1nc(-c2ccc([O-])c(F)c2)ccc1-n1cnc(C)c1 ZINC001240785663 821324512 /nfs/dbraw/zinc/32/45/12/821324512.db2.gz LKYMIBOGTCMANH-UHFFFAOYSA-N -1 3 299.305 3.096 20 0 CGADHM O=C(c1ccccc1-c1ccc([O-])c(F)c1)N1CCCC1 ZINC001240785494 821324990 /nfs/dbraw/zinc/32/49/90/821324990.db2.gz BTGKVHAHELZVHJ-UHFFFAOYSA-N -1 3 285.318 3.434 20 0 CGADHM COC(=O)c1cc2cc[nH]c2c(-c2ccc([O-])c(F)c2)c1 ZINC001240786218 821326666 /nfs/dbraw/zinc/32/66/66/821326666.db2.gz BLMRNNWCOPLBIJ-UHFFFAOYSA-N -1 3 285.274 3.466 20 0 CGADHM COC(=O)c1cc(-c2ccc([O-])c(F)c2)c(OC)cc1F ZINC001240786195 821327586 /nfs/dbraw/zinc/32/75/86/821327586.db2.gz POZRXVJCAHGHOV-UHFFFAOYSA-N -1 3 294.253 3.133 20 0 CGADHM CC(=O)Nc1ccc(-c2ccc([O-])c(F)c2)c(F)c1 ZINC001240786802 821327605 /nfs/dbraw/zinc/32/76/05/821327605.db2.gz WIVWPYUQLGRQQI-UHFFFAOYSA-N -1 3 263.243 3.296 20 0 CGADHM Cc1cc2c(cc1-c1ccc([O-])c(F)c1)CC(=O)N2 ZINC001240787909 821328259 /nfs/dbraw/zinc/32/82/59/821328259.db2.gz VLYWZBRAVRRPFP-UHFFFAOYSA-N -1 3 257.264 3.001 20 0 CGADHM CN1Cc2cccc(-c3ccc([O-])c(F)c3)c2NC1=O ZINC001240788462 821330740 /nfs/dbraw/zinc/33/07/40/821330740.db2.gz GQSJGXABAUMDGR-UHFFFAOYSA-N -1 3 272.279 3.176 20 0 CGADHM Cc1nc2c(ncc(-c3ccc([O-])c(F)c3)c2C)[nH]1 ZINC001240789290 821332684 /nfs/dbraw/zinc/33/26/84/821332684.db2.gz WZSWCQSNIDEVIJ-UHFFFAOYSA-N -1 3 257.268 3.086 20 0 CGADHM CC(C)(C)NC(=O)c1cncc(-c2ccc([O-])c(F)c2)c1 ZINC001240790939 821333340 /nfs/dbraw/zinc/33/33/40/821333340.db2.gz RGBBTTSOEXXZJG-UHFFFAOYSA-N -1 3 288.322 3.122 20 0 CGADHM COC(=O)/C=C\c1ccc(-c2ccc([O-])c(F)c2)cc1 ZINC001240790545 821333410 /nfs/dbraw/zinc/33/34/10/821333410.db2.gz NVXLFAJZYSVCAW-WTKPLQERSA-N -1 3 272.275 3.385 20 0 CGADHM c1cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2[nH]1 ZINC001240796341 821338949 /nfs/dbraw/zinc/33/89/49/821338949.db2.gz PGOXHCBHVBPEMY-UHFFFAOYSA-N -1 3 261.288 3.015 20 0 CGADHM c1cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2[nH]1 ZINC001240796341 821338960 /nfs/dbraw/zinc/33/89/60/821338960.db2.gz PGOXHCBHVBPEMY-UHFFFAOYSA-N -1 3 261.288 3.015 20 0 CGADHM [O-]c1ccccc1-c1nnc2c(c1C(F)(F)F)CCC2 ZINC001241008874 821485151 /nfs/dbraw/zinc/48/51/51/821485151.db2.gz LNKWXIDHEFUKKF-UHFFFAOYSA-N -1 3 280.249 3.357 20 0 CGADHM C[C@H]1CCCN(C(=O)c2ccc(-c3ccccc3[O-])nc2)C1 ZINC001241009004 821485676 /nfs/dbraw/zinc/48/56/76/821485676.db2.gz YDNZDNPLBIQSOL-ZDUSSCGKSA-N -1 3 296.370 3.326 20 0 CGADHM COC(=O)c1cc(C)cc(-c2cc([O-])cc(F)c2)c1 ZINC001241270809 821688668 /nfs/dbraw/zinc/68/86/68/821688668.db2.gz ATEYULLZEJPWNM-UHFFFAOYSA-N -1 3 260.264 3.293 20 0 CGADHM O=C1c2cc(-c3cc([O-])cc(F)c3)ccc2CN1C1CC1 ZINC001241272188 821691660 /nfs/dbraw/zinc/69/16/60/821691660.db2.gz ZSSNIXYXJFFAFU-UHFFFAOYSA-N -1 3 283.302 3.317 20 0 CGADHM COc1c(F)c(F)ccc1-c1cc([O-])cc(F)c1 ZINC001241280917 821700073 /nfs/dbraw/zinc/70/00/73/821700073.db2.gz YVEUPPUNIXLWHV-UHFFFAOYSA-N -1 3 254.207 3.485 20 0 CGADHM Cn1cnc2c1cccc2-c1c(F)ccc([O-])c1F ZINC001241292501 821709397 /nfs/dbraw/zinc/70/93/97/821709397.db2.gz CMYFMFOAFZENNH-UHFFFAOYSA-N -1 3 260.243 3.224 20 0 CGADHM [O-]c1ccc(F)c(-c2cccc(N3CCOCC3)c2)c1F ZINC001241293613 821711007 /nfs/dbraw/zinc/71/10/07/821711007.db2.gz XFNBRCGCPPVLRP-UHFFFAOYSA-N -1 3 291.297 3.174 20 0 CGADHM [O-]c1ccc(F)c(-c2ccc3c(c2)OCO3)c1F ZINC001241293353 821711214 /nfs/dbraw/zinc/71/12/14/821711214.db2.gz UVRWTFWLGWMNFK-UHFFFAOYSA-N -1 3 250.200 3.066 20 0 CGADHM [O-]c1ccc(F)c(-c2cccc(-c3nc[nH]n3)c2)c1F ZINC001241293051 821711655 /nfs/dbraw/zinc/71/16/55/821711655.db2.gz PPFBINBKJQLWJP-UHFFFAOYSA-N -1 3 273.242 3.123 20 0 CGADHM [O-]c1ccc(F)c(-c2ccc3nsnc3c2)c1F ZINC001241293406 821711681 /nfs/dbraw/zinc/71/16/81/821711681.db2.gz VSWGGCDXBLXEMQ-UHFFFAOYSA-N -1 3 264.256 3.342 20 0 CGADHM [O-]c1ccc(F)c(-c2cc(F)c3nccnc3c2)c1F ZINC001241293904 821712352 /nfs/dbraw/zinc/71/23/52/821712352.db2.gz QAVUQAINIPZNJQ-UHFFFAOYSA-N -1 3 276.217 3.420 20 0 CGADHM CCOc1ncc(-c2c(F)ccc([O-])c2F)cc1OC ZINC001241295620 821714296 /nfs/dbraw/zinc/71/42/96/821714296.db2.gz WOPBCCNYUFZJAG-UHFFFAOYSA-N -1 3 281.258 3.140 20 0 CGADHM CC(C)Cc1ccc(-c2cncc(-c3nnn[n-]3)c2)cc1 ZINC001241326294 821734289 /nfs/dbraw/zinc/73/42/89/821734289.db2.gz DYDUGONNBNYDLL-UHFFFAOYSA-N -1 3 279.347 3.127 20 0 CGADHM CC(C)Cc1ccc(-c2cncc(-c3nn[n-]n3)c2)cc1 ZINC001241326294 821734291 /nfs/dbraw/zinc/73/42/91/821734291.db2.gz DYDUGONNBNYDLL-UHFFFAOYSA-N -1 3 279.347 3.127 20 0 CGADHM S=C1Cc2ccc(-c3ccc4c(c3)NCCO4)cc2[N-]1 ZINC001241493143 821894503 /nfs/dbraw/zinc/89/45/03/821894503.db2.gz YCSRMVQLBUCPNM-UHFFFAOYSA-N -1 3 282.368 3.453 20 0 CGADHM Cc1cscc1-c1ccc(C)c(-c2nnn[n-]2)c1 ZINC001241730971 822109433 /nfs/dbraw/zinc/10/94/33/822109433.db2.gz GZIYRRFKFPQHFR-UHFFFAOYSA-N -1 3 256.334 3.212 20 0 CGADHM Cc1cscc1-c1ccc(C)c(-c2nn[n-]n2)c1 ZINC001241730971 822109437 /nfs/dbraw/zinc/10/94/37/822109437.db2.gz GZIYRRFKFPQHFR-UHFFFAOYSA-N -1 3 256.334 3.212 20 0 CGADHM Cc1cc(-c2nnn[n-]2)ccc1-c1cccc2c1ccn2C ZINC001241822989 822163810 /nfs/dbraw/zinc/16/38/10/822163810.db2.gz IQNWOYZJQLJFSS-UHFFFAOYSA-N -1 3 289.342 3.334 20 0 CGADHM Cc1cc(-c2nn[n-]n2)ccc1-c1cccc2c1ccn2C ZINC001241822989 822163811 /nfs/dbraw/zinc/16/38/11/822163811.db2.gz IQNWOYZJQLJFSS-UHFFFAOYSA-N -1 3 289.342 3.334 20 0 CGADHM C=Cc1ccccc1-c1cc(-c2nnn[n-]2)ccc1OC ZINC001242009830 822273437 /nfs/dbraw/zinc/27/34/37/822273437.db2.gz KOOHXRKXKKYYGP-UHFFFAOYSA-N -1 3 278.315 3.185 20 0 CGADHM C=Cc1ccccc1-c1cc(-c2nn[n-]n2)ccc1OC ZINC001242009830 822273444 /nfs/dbraw/zinc/27/34/44/822273444.db2.gz KOOHXRKXKKYYGP-UHFFFAOYSA-N -1 3 278.315 3.185 20 0 CGADHM C=Cc1ccccc1-c1ccc(Cc2nnn[n-]2)cc1 ZINC001242013995 822279303 /nfs/dbraw/zinc/27/93/03/822279303.db2.gz HAHAIXKHBFRBRM-UHFFFAOYSA-N -1 3 262.316 3.101 20 0 CGADHM C=Cc1ccccc1-c1ccc(Cc2nn[n-]n2)cc1 ZINC001242013995 822279310 /nfs/dbraw/zinc/27/93/10/822279310.db2.gz HAHAIXKHBFRBRM-UHFFFAOYSA-N -1 3 262.316 3.101 20 0 CGADHM Cc1c(C(N)=O)cccc1-c1ccc([O-])c(C(F)(F)F)c1 ZINC001242161730 822900294 /nfs/dbraw/zinc/90/02/94/822900294.db2.gz ACXPIXWYMXTVLY-UHFFFAOYSA-N -1 3 295.260 3.485 20 0 CGADHM COC(=O)[C@@H](C)c1cccc(-c2ccc(F)cc2[O-])c1 ZINC001242221844 822917140 /nfs/dbraw/zinc/91/71/40/822917140.db2.gz PATBVNBIYYFPPX-JTQLQIEISA-N -1 3 274.291 3.475 20 0 CGADHM Cc1ccc(-c2cc(F)c(C)c(F)c2)cc1-c1nnn[n-]1 ZINC001242289027 822939922 /nfs/dbraw/zinc/93/99/22/822939922.db2.gz VZHKPWZGCWSHCT-UHFFFAOYSA-N -1 3 286.285 3.429 20 0 CGADHM Cc1ccc(-c2cc(F)c(C)c(F)c2)cc1-c1nn[n-]n1 ZINC001242289027 822939924 /nfs/dbraw/zinc/93/99/24/822939924.db2.gz VZHKPWZGCWSHCT-UHFFFAOYSA-N -1 3 286.285 3.429 20 0 CGADHM CC(=O)O[C@@H]1Cc2ccc(-c3cccc(F)c3[O-])cc2C1 ZINC001242350987 822960940 /nfs/dbraw/zinc/96/09/40/822960940.db2.gz MKXVWHVHLWSWAL-CQSZACIVSA-N -1 3 286.302 3.229 20 0 CGADHM COC(=O)c1ccc(C)c(-c2cccc(F)c2[O-])c1 ZINC001242351758 822961845 /nfs/dbraw/zinc/96/18/45/822961845.db2.gz RNGLCJIQASQLHF-UHFFFAOYSA-N -1 3 260.264 3.293 20 0 CGADHM C[S@](=N)(=O)c1ccc(-c2cccc(F)c2[O-])cc1 ZINC001242352166 822961883 /nfs/dbraw/zinc/96/18/83/822961883.db2.gz OYWZPPOXCKPANA-SFHVURJKSA-N -1 3 265.309 3.234 20 0 CGADHM COc1c(F)ccc(-c2cccc(F)c2[O-])c1OC ZINC001242352783 822962842 /nfs/dbraw/zinc/96/28/42/822962842.db2.gz DRMPNVZNIILAJX-UHFFFAOYSA-N -1 3 266.243 3.355 20 0 CGADHM COc1cc(-n2ccnc2)ccc1-c1cccc(F)c1[O-] ZINC001242354433 822963447 /nfs/dbraw/zinc/96/34/47/822963447.db2.gz ZTYPAXWGPDVONW-UHFFFAOYSA-N -1 3 284.290 3.393 20 0 CGADHM CC(C)c1nc(CNCCCC(C)(C)C(=O)[O-])cs1 ZINC001339011428 936344359 /nfs/dbraw/zinc/34/43/59/936344359.db2.gz PLIJFIFODCEFNM-UHFFFAOYSA-N -1 3 284.425 3.247 20 0 CGADHM COc1ccccc1C1(NC(=O)c2ccccc2[O-])CCC1 ZINC001341816298 936452285 /nfs/dbraw/zinc/45/22/85/936452285.db2.gz SRGWEVKWZMQCIK-UHFFFAOYSA-N -1 3 297.354 3.210 20 0 CGADHM CC(C)O[N-]C(=O)CC1(CSc2ccccc2)CC1 ZINC001344389430 927067142 /nfs/dbraw/zinc/06/71/42/927067142.db2.gz DKJFKTZXMGKGEB-UHFFFAOYSA-N -1 3 279.405 3.405 20 0 CGADHM O=C(C[C@H]1CCNc2ccccc21)[N-]OCc1ccccc1 ZINC001357321735 937170513 /nfs/dbraw/zinc/17/05/13/937170513.db2.gz ISNBZGUTIWVICE-OAHLLOKOSA-N -1 3 296.370 3.224 20 0 CGADHM CCc1ccc(C(=O)N[C@H]2CCCC[C@@H]2C)c([O-])c1 ZINC001440437108 928095311 /nfs/dbraw/zinc/09/53/11/928095311.db2.gz OEIGXQWILSHRTN-FZMZJTMJSA-N -1 3 261.365 3.263 20 0 CGADHM COCc1ccc(Sc2cc(Cl)nc(=O)[n-]2)cc1 ZINC001365214224 937235276 /nfs/dbraw/zinc/23/52/76/937235276.db2.gz FKMMVCSJIBWUEU-UHFFFAOYSA-N -1 3 282.752 3.133 20 0 CGADHM CC(C)OC1(CNC(=O)c2ccccc2[O-])CCCCC1 ZINC001445592550 937358231 /nfs/dbraw/zinc/35/82/31/937358231.db2.gz PLMLOKXEBLUAEM-UHFFFAOYSA-N -1 3 291.391 3.250 20 0 CGADHM COC1(CNC(=O)c2c(C)cccc2[O-])CCC(C)CC1 ZINC001448940276 937377399 /nfs/dbraw/zinc/37/73/99/937377399.db2.gz YCCOARFIRXUSQJ-UHFFFAOYSA-N -1 3 291.391 3.026 20 0 CGADHM CCc1ccc(C(=O)NC2(CC)CCCC2)c([O-])c1 ZINC001449912870 937382352 /nfs/dbraw/zinc/38/23/52/937382352.db2.gz PFRCGKLMYABKCL-UHFFFAOYSA-N -1 3 261.365 3.407 20 0 CGADHM O=C(N[C@@H]1c2ccccc2CC[C@@H]1F)c1ccccc1[O-] ZINC001455171127 937414918 /nfs/dbraw/zinc/41/49/18/937414918.db2.gz RWSMWDLUEXJHHT-GOEBONIOSA-N -1 3 285.318 3.148 20 0 CGADHM CC(C)/C=C/C(=O)Nc1cc(Br)ccc1[O-] ZINC000194810605 932032876 /nfs/dbraw/zinc/03/28/76/932032876.db2.gz HNMAAQPLIXTLSZ-ZZXKWVIFSA-N -1 3 284.153 3.305 20 0 CGADHM O=C1CCCC[C@@H]1Oc1cccc([O-])c1Br ZINC001229141620 932103429 /nfs/dbraw/zinc/10/34/29/932103429.db2.gz LMGOQHXNOIIOBG-JTQLQIEISA-N -1 3 285.137 3.045 20 0 CGADHM [O-]c1cc(O)cc(O[C@@H]2C=CCCC2)c1Br ZINC001229099887 932094073 /nfs/dbraw/zinc/09/40/73/932094073.db2.gz NRGDJTLQPPGLKZ-SECBINFHSA-N -1 3 285.137 3.348 20 0 CGADHM COc1cc(-c2nnn[n-]2)ccc1O[C@@H](C)CCC(C)C ZINC001229338041 932135887 /nfs/dbraw/zinc/13/58/87/932135887.db2.gz RNCACRYREAOAOE-NSHDSACASA-N -1 3 290.367 3.079 20 0 CGADHM COc1cc(-c2nn[n-]n2)ccc1O[C@@H](C)CCC(C)C ZINC001229338041 932135890 /nfs/dbraw/zinc/13/58/90/932135890.db2.gz RNCACRYREAOAOE-NSHDSACASA-N -1 3 290.367 3.079 20 0 CGADHM CC[C@H](COc1nc(=S)[n-]c2scc(C)c21)OC ZINC001229354533 932136289 /nfs/dbraw/zinc/13/62/89/932136289.db2.gz YIQUJQNATPUCST-MRVPVSSYSA-N -1 3 284.406 3.092 20 0 CGADHM CC1(C)CC[C@@H](COc2nc(=S)[n-]c3sccc32)O1 ZINC001229567208 932173045 /nfs/dbraw/zinc/17/30/45/932173045.db2.gz UYYPMVNQQRASOW-QMMMGPOBSA-N -1 3 296.417 3.316 20 0 CGADHM Cc1nc(O[C@@H]2CCc3cc(F)ccc32)c(C)c(=O)[n-]1 ZINC001229689810 932470261 /nfs/dbraw/zinc/47/02/61/932470261.db2.gz NMYWPZOHJGXIIH-CYBMUJFWSA-N -1 3 274.295 3.004 20 0 CGADHM O=c1nc(O[C@@H]2CCC=CCCC2)c2c([n-]1)CCS2 ZINC001230792544 932625007 /nfs/dbraw/zinc/62/50/07/932625007.db2.gz QGNDFUMXAFESSA-SNVBAGLBSA-N -1 3 278.377 3.098 20 0 CGADHM CC(C)[C@H](C)Oc1nc(=O)[n-]cc1-c1ccccc1 ZINC001230973637 932652010 /nfs/dbraw/zinc/65/20/10/932652010.db2.gz IFHDXLWGENPXSZ-NSHDSACASA-N -1 3 258.321 3.273 20 0 CGADHM CCC[C@H](C)Oc1nc(=O)[n-]cc1-c1ccccc1 ZINC001230974998 932652032 /nfs/dbraw/zinc/65/20/32/932652032.db2.gz OKGBCSLXBGZVIE-NSHDSACASA-N -1 3 258.321 3.417 20 0 CGADHM C[C@@H]1CC[C@H](Oc2ccc(-c3nn[n-]n3)cc2)C[C@H]1C ZINC001231073559 932673044 /nfs/dbraw/zinc/67/30/44/932673044.db2.gz LPBPMCVMWPQHOX-GYSYKLTISA-N -1 3 272.352 3.070 20 0 CGADHM CC/C=C(\C)[C@@H](CC)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001231077890 932675150 /nfs/dbraw/zinc/67/51/50/932675150.db2.gz YJAQHCYRCOPKOR-JBNJFFQFSA-N -1 3 272.352 3.380 20 0 CGADHM CSc1ccc([O-])c(C(=O)N[C@@H]2CC[C@@H](C)C2)c1 ZINC001303675646 932832219 /nfs/dbraw/zinc/83/22/19/932832219.db2.gz FBTMDIZDBISVKN-NXEZZACHSA-N -1 3 265.378 3.033 20 0 CGADHM CCc1cccc(C(=O)N[C@H](CC)C(F)(F)F)c1[O-] ZINC001306082602 932872990 /nfs/dbraw/zinc/87/29/90/932872990.db2.gz OMYLYPBOQWRERJ-SNVBAGLBSA-N -1 3 275.270 3.025 20 0 CGADHM CC1(C)C(C)(C)C1(C)C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC001462921170 937664504 /nfs/dbraw/zinc/66/45/04/937664504.db2.gz HCHQIXFGZDGWHG-UHFFFAOYSA-N -1 3 288.351 3.076 20 0 CGADHM [O-]c1ccc(CNC2([C@@H]3CCCCO3)CCC2)c(F)c1F ZINC001308913356 933203411 /nfs/dbraw/zinc/20/34/11/933203411.db2.gz OITUUCXDSVEHJV-ZDUSSCGKSA-N -1 3 297.345 3.252 20 0 CGADHM Cc1ccc(F)c(NC(=O)Cc2ccc([O-])c(F)c2)c1 ZINC001463747828 937680462 /nfs/dbraw/zinc/68/04/62/937680462.db2.gz ANOZRUJLAUFTJF-UHFFFAOYSA-N -1 3 277.270 3.160 20 0 CGADHM CC(=O)c1ccc(C(=O)NC[C@@H](C)c2ccccc2)cc1[O-] ZINC001466734405 937711652 /nfs/dbraw/zinc/71/16/52/937711652.db2.gz UQKWJYYPGZVHIZ-GFCCVEGCSA-N -1 3 297.354 3.128 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)Nc1ccc2cc[nH]c2c1 ZINC001467550283 937719020 /nfs/dbraw/zinc/71/90/20/937719020.db2.gz SFUZKXRROPZTSE-UHFFFAOYSA-N -1 3 284.290 3.194 20 0 CGADHM CC[C@@](C)(NC(=O)c1cc(SC)ccc1[O-])C1CC1 ZINC001470223633 937749739 /nfs/dbraw/zinc/74/97/39/937749739.db2.gz XIDDMLRBTFLNIN-OAHLLOKOSA-N -1 3 279.405 3.423 20 0 CGADHM CSc1ccc([O-])c(C(=O)NC(C)(C)/C=C\Cl)c1 ZINC001471938950 937770821 /nfs/dbraw/zinc/77/08/21/937770821.db2.gz DYZCSXCSWYIXIT-SREVYHEPSA-N -1 3 285.796 3.375 20 0 CGADHM O=C(CCCc1ccc([O-])c(F)c1)N1CC2CCC1CC2 ZINC001324436961 934503568 /nfs/dbraw/zinc/50/35/68/934503568.db2.gz AEGBQBYHZGHHFA-UHFFFAOYSA-N -1 3 291.366 3.255 20 0 CGADHM Cc1cccc2c1[C@@H](C)C[C@H]2CC(=O)[N-]OC(C)C ZINC001324501037 934517046 /nfs/dbraw/zinc/51/70/46/934517046.db2.gz OULZXUAQFQVFCL-STQMWFEESA-N -1 3 261.365 3.432 20 0 CGADHM Cc1ccccc1C(F)(F)C(=O)[N-]C(C)(C)C(F)F ZINC001326811986 935009233 /nfs/dbraw/zinc/00/92/33/935009233.db2.gz OVQFDWRLMNINEL-UHFFFAOYSA-N -1 3 277.261 3.247 20 0 CGADHM O=C(Cc1cncc2ccccc21)[N-]OC1CCCCC1 ZINC001329858861 935249760 /nfs/dbraw/zinc/24/97/60/935249760.db2.gz WZSVBVBSXNDLRS-UHFFFAOYSA-N -1 3 284.359 3.158 20 0 CGADHM CCCC[C@](C)(F)C(=O)OCc1cc(=O)[n-]c(C2CC2)n1 ZINC001330231349 935278963 /nfs/dbraw/zinc/27/89/63/935278963.db2.gz QUYWIVLDBYIRDX-HNNXBMFYSA-N -1 3 296.342 3.021 20 0 CGADHM CCc1c(=O)n(Cc2ccncc2)[n-]c1-c1cccc(C)c1 ZINC001332221505 935450038 /nfs/dbraw/zinc/45/00/38/935450038.db2.gz HGGGSVBYFIZMCK-MRXNPFEDSA-N -1 3 293.370 3.163 20 0 CGADHM [O-]c1ccc(CN2CCCc3occc3C2)cc1F ZINC001335072301 936127704 /nfs/dbraw/zinc/12/77/04/936127704.db2.gz MGBHDJNFFSUMQN-UHFFFAOYSA-N -1 3 261.296 3.073 20 0 CGADHM O=C([O-])C1(CCCCNCc2cccnc2Cl)CCC1 ZINC001335628783 936155590 /nfs/dbraw/zinc/15/55/90/936155590.db2.gz ZGDYHPVPYCQKHT-UHFFFAOYSA-N -1 3 296.798 3.250 20 0 CGADHM Cc1cccc(C(=O)Nc2cnoc2C(C)C)c1[O-] ZINC001336090471 936175451 /nfs/dbraw/zinc/17/54/51/936175451.db2.gz YFSLIHWMLNWABY-UHFFFAOYSA-N -1 3 260.293 3.064 20 0 CGADHM COc1ccc(C(=O)[N-]c2c(OC)cccc2SC)o1 ZINC001528955721 938069986 /nfs/dbraw/zinc/06/99/86/938069986.db2.gz QTLGJTPRCCIYOD-UHFFFAOYSA-N -1 3 293.344 3.271 20 0 CGADHM O=C([N-]c1c(F)ccnc1F)c1ccsc1Cl ZINC001534633247 938097088 /nfs/dbraw/zinc/09/70/88/938097088.db2.gz ULQHOTQBKUPDPO-UHFFFAOYSA-N -1 3 274.679 3.327 20 0 CGADHM CCc1cc([N-]C(=O)c2ocnc2-c2ccccc2)no1 ZINC001538237296 938116360 /nfs/dbraw/zinc/11/63/60/938116360.db2.gz RRQIFBGQNBVADV-UHFFFAOYSA-N -1 3 283.287 3.144 20 0 CGADHM Cc1ccc(NC(=O)c2ccc3[nH]cc(C=O)c3c2)c([O-])c1 ZINC001540389093 938130777 /nfs/dbraw/zinc/13/07/77/938130777.db2.gz YCQHPIQOLUKRRX-UHFFFAOYSA-N -1 3 294.310 3.247 20 0 CGADHM Cc1cccc([O-])c1C(=O)Nc1cccc(-n2ccnc2)c1 ZINC001543047145 938137662 /nfs/dbraw/zinc/13/76/62/938137662.db2.gz SMGCYUBHBFFJSB-UHFFFAOYSA-N -1 3 293.326 3.139 20 0 CGADHM O=C([O-])[C@@H]1CN(Cc2c(F)cccc2Cl)C[C@@H]1C1CC1 ZINC001549118028 938155471 /nfs/dbraw/zinc/15/54/71/938155471.db2.gz XNKQSTRGVXDWRX-GHMZBOCLSA-N -1 3 297.757 3.022 20 0 CGADHM CCCC[C@H](C(=O)Nc1ncccc1[O-])C(C)C ZINC001556163738 938202142 /nfs/dbraw/zinc/20/21/42/938202142.db2.gz JZZOGIGIZMEZHI-NSHDSACASA-N -1 3 250.342 3.188 20 0 CGADHM O=C(CCc1ccccc1F)[N-]Oc1ccccc1F ZINC001558226070 938214147 /nfs/dbraw/zinc/21/41/47/938214147.db2.gz MYTXFZKZGVNETE-UHFFFAOYSA-N -1 3 277.270 3.008 20 0 CGADHM CC[C@H](C)[C@H](C)[N-]S(=O)(=O)c1cc(C)c(Cl)s1 ZINC001561273565 938293834 /nfs/dbraw/zinc/29/38/34/938293834.db2.gz KUQPPZZPANNFFF-CBAPKCEASA-N -1 3 295.857 3.423 20 0 CGADHM O=C([O-])CC1(NCc2csc(Cl)n2)CCCCC1 ZINC001601937594 971090284 /nfs/dbraw/zinc/09/02/84/971090284.db2.gz VPADEFSKGDXJCT-UHFFFAOYSA-N -1 3 288.800 3.064 20 0 CGADHM Cc1nc(C)c([C@@H](C)NCc2ccccc2C(=O)[O-])s1 ZINC000235196706 949850921 /nfs/dbraw/zinc/85/09/21/949850921.db2.gz KZYLHPQZSYQRJH-SECBINFHSA-N -1 3 290.388 3.309 20 0 CGADHM O=C([O-])[C@H](NCc1ccc2c(c1)CCC2)c1ccc(F)cc1 ZINC001594844984 954131714 /nfs/dbraw/zinc/13/17/14/954131714.db2.gz ZZOMEKVANOXOBS-QGZVFWFLSA-N -1 3 299.345 3.230 20 0 CGADHM C[C@@](NCc1cccc(F)c1)(C(=O)[O-])c1ccc(F)cc1 ZINC000041768177 957394325 /nfs/dbraw/zinc/39/43/25/957394325.db2.gz SFGDEWWNQKBEGC-INIZCTEOSA-N -1 3 291.297 3.054 20 0 CGADHM CC(C)C[C@@H](N[C@@H](C)c1c(F)cccc1F)C(=O)[O-] ZINC000043431973 957430485 /nfs/dbraw/zinc/43/04/85/957430485.db2.gz KBIBXOGUGJVSIV-JOYOIKCWSA-N -1 3 271.307 3.115 20 0 CGADHM C[C@@H](c1c(F)cccc1F)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC000086783665 957989863 /nfs/dbraw/zinc/98/98/63/957989863.db2.gz QNKKAJJEOAWPPI-ZUZCIYMTSA-N -1 3 283.318 3.213 20 0 CGADHM Cc1ccc(CNCc2ccsc2C(=O)[O-])cc1 ZINC000232443792 960273859 /nfs/dbraw/zinc/27/38/59/960273859.db2.gz WHRRRZVWIUAQND-UHFFFAOYSA-N -1 3 261.346 3.045 20 0 CGADHM C[C@H](NCc1ccc(C(=O)[O-])s1)c1ccsc1 ZINC000235520721 960451130 /nfs/dbraw/zinc/45/11/30/960451130.db2.gz PRQMBSXYLSGKQG-QMMMGPOBSA-N -1 3 267.375 3.359 20 0 CGADHM CC[C@@H](NCc1csc(C(=O)[O-])c1)c1ccncc1 ZINC001595305206 960529278 /nfs/dbraw/zinc/52/92/78/960529278.db2.gz MSFROOFHOHDHTD-GFCCVEGCSA-N -1 3 276.361 3.082 20 0 CGADHM CCC[C@]1(C)CCCN(Cc2ccc(C(=O)[O-])[nH]2)C1 ZINC001595617690 960535594 /nfs/dbraw/zinc/53/55/94/960535594.db2.gz WLOVDVXKXDCNCW-OAHLLOKOSA-N -1 3 264.369 3.115 20 0 CGADHM C/C(=C/C(=O)[O-])CN1CC(C)(C)[C@@H]1c1cccs1 ZINC001602958451 960552203 /nfs/dbraw/zinc/55/22/03/960552203.db2.gz SKIZNFAEVZTEDO-SZNGSJQDSA-N -1 3 265.378 3.162 20 0 CGADHM C[C@H](c1cccc(Cl)c1F)N1CC[C@@](C)(C(=O)[O-])C1 ZINC001603287286 972530483 /nfs/dbraw/zinc/53/04/83/972530483.db2.gz UZNCCABJCFLGIQ-YMTOWFKASA-N -1 3 285.746 3.337 20 0 CGADHM CCCCCC[C@@](C)(CC)C(=O)Nc1nnc(OC)[n-]1 ZINC001566428449 960926010 /nfs/dbraw/zinc/92/60/10/960926010.db2.gz YPCXGMTYMZLSAF-CQSZACIVSA-N -1 3 282.388 3.139 20 0 CGADHM CCCCCC[C@@](C)(CC)C(=O)Nc1n[n-]c(OC)n1 ZINC001566428449 960926020 /nfs/dbraw/zinc/92/60/20/960926020.db2.gz YPCXGMTYMZLSAF-CQSZACIVSA-N -1 3 282.388 3.139 20 0 CGADHM CCCCCC[C@@](C)(CC)C(=O)Nc1nc(OC)n[n-]1 ZINC001566428449 960926031 /nfs/dbraw/zinc/92/60/31/960926031.db2.gz YPCXGMTYMZLSAF-CQSZACIVSA-N -1 3 282.388 3.139 20 0 CGADHM Cc1ccc(C)c([C@@H](C)NC(=O)c2cccc3n[n-]nc32)c1 ZINC001567097416 961118832 /nfs/dbraw/zinc/11/88/32/961118832.db2.gz PLAOQRZWDKJTJY-GFCCVEGCSA-N -1 3 294.358 3.066 20 0 CGADHM CCN(CC(F)F)C(=O)c1cc2sccc2c([O-])c1 ZINC001567417412 961321435 /nfs/dbraw/zinc/32/14/35/961321435.db2.gz SOQUHXLXKFXKQW-UHFFFAOYSA-N -1 3 285.315 3.334 20 0 CGADHM Cc1cccc([O-])c1C(=O)N(C)c1ccc2cc[nH]c2c1 ZINC001568647836 961620068 /nfs/dbraw/zinc/62/00/68/961620068.db2.gz ZROTVAJHXOSPQW-UHFFFAOYSA-N -1 3 280.327 3.459 20 0 CGADHM CC(C)c1ccc(C(=O)N[C@@H]2CCC[C@@H]3C[C@@H]32)c([O-])c1 ZINC001570223255 961937633 /nfs/dbraw/zinc/93/76/33/961937633.db2.gz ZDBMSBGOVUFIBJ-VHDGCEQUSA-N -1 3 273.376 3.434 20 0 CGADHM CCCCCOc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001577508532 962556924 /nfs/dbraw/zinc/55/69/24/962556924.db2.gz MDMVRUKDFHVYBF-UHFFFAOYSA-N -1 3 266.732 3.089 20 0 CGADHM CCCCCOc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001577508532 962556934 /nfs/dbraw/zinc/55/69/34/962556934.db2.gz MDMVRUKDFHVYBF-UHFFFAOYSA-N -1 3 266.732 3.089 20 0 CGADHM Cc1cccc([C@H](C)Nc2cc(-c3nnn[n-]3)cc(C)n2)c1 ZINC001581248320 962749603 /nfs/dbraw/zinc/74/96/03/962749603.db2.gz XQFCDPSUGHHGNE-LBPRGKRZSA-N -1 3 294.362 3.052 20 0 CGADHM Cc1cccc([C@H](C)Nc2cc(-c3nn[n-]n3)cc(C)n2)c1 ZINC001581248320 962749626 /nfs/dbraw/zinc/74/96/26/962749626.db2.gz XQFCDPSUGHHGNE-LBPRGKRZSA-N -1 3 294.362 3.052 20 0 CGADHM CCc1nc(C)c(COC(=O)c2cccc(Cl)c2[O-])o1 ZINC001584277548 962905847 /nfs/dbraw/zinc/90/58/47/962905847.db2.gz BHSCRLCHTUAIPI-UHFFFAOYSA-N -1 3 295.722 3.261 20 0 CGADHM C[C@H]1CC[C@@](C)(C(=O)[N-]OCC2CCC2)C1(C)C ZINC001585092593 962983508 /nfs/dbraw/zinc/98/35/08/962983508.db2.gz VWWXDSVBRDXNBU-NHYWBVRUSA-N -1 3 253.386 3.297 20 0 CGADHM C[C@@H]1CN(C(=O)c2cc3sccc3c([O-])c2)C[C@H]1C ZINC001586812116 963139961 /nfs/dbraw/zinc/13/99/61/963139961.db2.gz BYMWOEBFMNVSON-NXEZZACHSA-N -1 3 275.373 3.335 20 0 CGADHM O=C([N-]c1cccc2nonc21)c1ccc(C(F)F)o1 ZINC001587117265 963168684 /nfs/dbraw/zinc/16/86/84/963168684.db2.gz VLDDZFAQRMPMNM-UHFFFAOYSA-N -1 3 279.202 3.006 20 0 CGADHM c1cc(S[C@H]2C=CCCCCC2)c(-c2nnn[n-]2)cn1 ZINC001588388514 963271013 /nfs/dbraw/zinc/27/10/13/963271013.db2.gz LICNEOGOKCSZJV-NSHDSACASA-N -1 3 287.392 3.243 20 0 CGADHM c1cc(S[C@H]2C=CCCCCC2)c(-c2nn[n-]n2)cn1 ZINC001588388514 963271025 /nfs/dbraw/zinc/27/10/25/963271025.db2.gz LICNEOGOKCSZJV-NSHDSACASA-N -1 3 287.392 3.243 20 0 CGADHM C/C(=C/CNC(C)(C)c1cccc(Cl)c1F)C(=O)[O-] ZINC001588977515 963337304 /nfs/dbraw/zinc/33/73/04/963337304.db2.gz AHRKAROMQGVJJR-CLFYSBASSA-N -1 3 285.746 3.335 20 0 CGADHM CC(C)(C)CC(=O)Nc1ccc(-c2nnn[n-]2)cc1C1CC1 ZINC001589115951 963344799 /nfs/dbraw/zinc/34/47/99/963344799.db2.gz DUYJHMFIFUUTHU-UHFFFAOYSA-N -1 3 299.378 3.119 20 0 CGADHM CC(C)(C)CC(=O)Nc1ccc(-c2nn[n-]n2)cc1C1CC1 ZINC001589115951 963344810 /nfs/dbraw/zinc/34/48/10/963344810.db2.gz DUYJHMFIFUUTHU-UHFFFAOYSA-N -1 3 299.378 3.119 20 0 CGADHM CC(C)(C)SCSc1ccccc1-c1nnn[n-]1 ZINC001589208784 963352452 /nfs/dbraw/zinc/35/24/52/963352452.db2.gz ACHLEHALRPDWFX-UHFFFAOYSA-N -1 3 280.422 3.448 20 0 CGADHM CC(C)(C)SCSc1ccccc1-c1nn[n-]n1 ZINC001589208784 963352460 /nfs/dbraw/zinc/35/24/60/963352460.db2.gz ACHLEHALRPDWFX-UHFFFAOYSA-N -1 3 280.422 3.448 20 0 CGADHM Cc1csc(CNCc2ccc(C(=O)[O-])c(F)c2)c1 ZINC000393516506 972606933 /nfs/dbraw/zinc/60/69/33/972606933.db2.gz NWQWTAVEYIVJQH-UHFFFAOYSA-N -1 3 279.336 3.184 20 0 CGADHM Cc1cc(C)nc(NCc2ccc(C(=O)[O-])s2)c1 ZINC001605164127 972857074 /nfs/dbraw/zinc/85/70/74/972857074.db2.gz MFDIKNZTHLEZIB-UHFFFAOYSA-N -1 3 262.334 3.070 20 0 CGADHM CC(C)c1nc([C@@H](C)N[C@H]2CC=C(C(=O)[O-])C2)cs1 ZINC001592014716 976694754 /nfs/dbraw/zinc/69/47/54/976694754.db2.gz FXVWHSHYKJGEHK-KOLCDFICSA-N -1 3 280.393 3.091 20 0 CGADHM CC[C@H](NCc1ccc(C)nc1)c1ccc(C(=O)[O-])cc1 ZINC001595299741 980430671 /nfs/dbraw/zinc/43/06/71/980430671.db2.gz DJQOYIRROVYZTG-INIZCTEOSA-N -1 3 284.359 3.329 20 0 CGADHM CC[C@](C)(NCc1nc(-c2ccsc2)oc1C)C(=O)[O-] ZINC001594853045 982105360 /nfs/dbraw/zinc/10/53/60/982105360.db2.gz DYAPNUJNVCABBS-AWEZNQCLSA-N -1 3 294.376 3.054 20 0 CGADHM CCCCCN(CCO)Cc1c(Cl)cccc1C(=O)[O-] ZINC001595715762 982315432 /nfs/dbraw/zinc/31/54/32/982315432.db2.gz CNCRCHCRUJXRCE-UHFFFAOYSA-N -1 3 299.798 3.023 20 0 CGADHM Cc1[nH]c(CN2CC3(CC=CC3)[C@@H]2C(C)C)cc1C(=O)[O-] ZINC001599962811 985823886 /nfs/dbraw/zinc/82/38/86/985823886.db2.gz UTAIVNIAXYDIMN-HNNXBMFYSA-N -1 3 288.391 3.198 20 0 CGADHM CCc1cccc(CN[C@](C)(CC(=O)[O-])c2cccnc2)c1 ZINC001597587167 988409665 /nfs/dbraw/zinc/40/96/65/988409665.db2.gz QXTGLUZWJZYZIK-GOSISDBHSA-N -1 3 298.386 3.124 20 0 CGADHM CC(C)(C)O[C@@H]1C[C@H](NCc2occc2C(=O)[O-])C1(C)C ZINC001590399148 989934562 /nfs/dbraw/zinc/93/45/62/989934562.db2.gz XMMGYMKFAPKRAZ-QWHCGFSZSA-N -1 3 295.379 3.050 20 0 CGADHM CC(C)[C@@H]1CCC[C@H](NCc2ncc(C(=O)[O-])s2)C1 ZINC001591088191 991619283 /nfs/dbraw/zinc/61/92/83/991619283.db2.gz DQSJXWODIURRSI-MNOVXSKESA-N -1 3 282.409 3.146 20 0 CGADHM CC1(C)CC[C@@H]1N[C@@H](C(=O)[O-])c1c(F)cccc1Cl ZINC001593887101 996725602 /nfs/dbraw/zinc/72/56/02/996725602.db2.gz ZLYFFASYVGYDKP-CMPLNLGQSA-N -1 3 285.746 3.383 20 0 CGADHM CC1=CCC[C@H](C)[C@H]1CNC(C)(C)c1cc(C(=O)[O-])on1 ZINC001594113202 998220342 /nfs/dbraw/zinc/22/03/42/998220342.db2.gz JKNNENQZUJLAIC-RYUDHWBXSA-N -1 3 292.379 3.190 20 0 CGADHM C[C@@H]1C[C@H](C)N1[C@@H](C(=O)[O-])c1ccccc1C(F)(F)F ZINC001594231387 998879786 /nfs/dbraw/zinc/87/97/86/998879786.db2.gz SXZZOQUWFBQZBY-VDDIYKPWSA-N -1 3 287.281 3.314 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CCOc3ccccc3[C@H]2C)c1 ZINC000621142032 349462813 /nfs/dbraw/zinc/46/28/13/349462813.db2.gz PNGMHISVGNRFIA-CYBMUJFWSA-N -1 3 297.354 3.296 20 0 CGADHM [O-]c1cccc(CNCC[C@@H]2CC2(F)F)c1Cl ZINC000621377315 349512082 /nfs/dbraw/zinc/51/20/82/349512082.db2.gz VWNKFWVCZLJDTC-SECBINFHSA-N -1 3 261.699 3.181 20 0 CGADHM Cc1cccc([O-])c1NC(=O)C[C@@H]1CCO[C@@H](C(C)C)C1 ZINC000273073362 192036856 /nfs/dbraw/zinc/03/68/56/192036856.db2.gz FVSLEQJJTJTJCR-UKRRQHHQSA-N -1 3 291.391 3.480 20 0 CGADHM C[C@H](Cn1ncc2ccccc21)C(=O)Nc1ccccc1[O-] ZINC000350698360 219050079 /nfs/dbraw/zinc/05/00/79/219050079.db2.gz DOEGPCRBOSMZTF-GFCCVEGCSA-N -1 3 295.342 3.017 20 0 CGADHM CCCCC(=O)Nc1nnc(-c2ccc3ccccc3n2)[n-]1 ZINC000590405902 346845197 /nfs/dbraw/zinc/84/51/97/346845197.db2.gz DGDSWIAFXVXMQF-UHFFFAOYSA-N -1 3 295.346 3.149 20 0 CGADHM CCCCC(=O)Nc1nc(-c2ccc3ccccc3n2)n[n-]1 ZINC000590405902 346845201 /nfs/dbraw/zinc/84/52/01/346845201.db2.gz DGDSWIAFXVXMQF-UHFFFAOYSA-N -1 3 295.346 3.149 20 0 CGADHM CCCCC(=O)Nc1n[n-]c(-c2ccc3ccccc3n2)n1 ZINC000590405902 346845204 /nfs/dbraw/zinc/84/52/04/346845204.db2.gz DGDSWIAFXVXMQF-UHFFFAOYSA-N -1 3 295.346 3.149 20 0 CGADHM Cc1ncc(CN[C@@H]2C[C@@H](C(C)C)c3ccccc32)c(=O)[n-]1 ZINC000447596206 282155835 /nfs/dbraw/zinc/15/58/35/282155835.db2.gz BWCNROMWCOAFJQ-DLBZAZTESA-N -1 3 297.402 3.465 20 0 CGADHM CC[C@@H](C)n1ncc(C(=O)Nc2cc(F)ccc2[O-])c1C ZINC000358646153 529441420 /nfs/dbraw/zinc/44/14/20/529441420.db2.gz MKFZTYQTTYYIEJ-SECBINFHSA-N -1 3 291.326 3.260 20 0 CGADHM CCc1cccc(C(=O)NC[C@@H](C)c2ccccc2)c1[O-] ZINC000622281688 349667755 /nfs/dbraw/zinc/66/77/55/349667755.db2.gz NYAPQXYFVZFASM-CYBMUJFWSA-N -1 3 283.371 3.488 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)c2ccsn2)c1[O-] ZINC000622467953 349681787 /nfs/dbraw/zinc/68/17/87/349681787.db2.gz OAZOATZFHFRJQV-UHFFFAOYSA-N -1 3 268.725 3.063 20 0 CGADHM O=C(NCC1(Cc2ccc(F)cc2)CC1)c1ccccc1[O-] ZINC000622481095 349681875 /nfs/dbraw/zinc/68/18/75/349681875.db2.gz FVWUZSZATZKSED-UHFFFAOYSA-N -1 3 299.345 3.284 20 0 CGADHM CCc1cccc(C(=O)N[C@H]2CC(C)(C)OC2(C)C)c1[O-] ZINC000622492338 349683202 /nfs/dbraw/zinc/68/32/02/349683202.db2.gz SVWFBIWPDMJWQM-ZDUSSCGKSA-N -1 3 291.391 3.031 20 0 CGADHM CCc1cc(C(=O)NC[C@@H](C)CC(F)(F)F)ccc1[O-] ZINC000413992923 529517337 /nfs/dbraw/zinc/51/73/37/529517337.db2.gz RECXDXAUBNBICC-VIFPVBQESA-N -1 3 289.297 3.273 20 0 CGADHM CCc1ccc(C(=O)N2CC(c3ccccc3F)C2)c([O-])c1 ZINC000436654579 529594749 /nfs/dbraw/zinc/59/47/49/529594749.db2.gz GHVXSNWEXQEJLS-UHFFFAOYSA-N -1 3 299.345 3.333 20 0 CGADHM CCc1ccc(C(=O)N[C@@H]2[C@H]3Cc4ccccc4[C@@H]23)c([O-])c1 ZINC000436838504 529607910 /nfs/dbraw/zinc/60/79/10/529607910.db2.gz RFNWGOVUSLDZFR-CGTJXYLNSA-N -1 3 293.366 3.023 20 0 CGADHM Cc1cc(C(=O)N2CC(Cc3ccsc3)C2)ccc1[O-] ZINC000623041873 349754397 /nfs/dbraw/zinc/75/43/97/349754397.db2.gz BQPSVJISFCHPOE-UHFFFAOYSA-N -1 3 287.384 3.077 20 0 CGADHM CC(C)(C)OCCCSCc1cc(=O)[n-]c(C2CC2)n1 ZINC000591385993 346919402 /nfs/dbraw/zinc/91/94/02/346919402.db2.gz ZPZLIMBCXNFBLA-UHFFFAOYSA-N -1 3 296.436 3.498 20 0 CGADHM CC[C@H](OC1CCCC1)C(=O)Nc1c(C)cccc1[O-] ZINC000413663366 529716619 /nfs/dbraw/zinc/71/66/19/529716619.db2.gz BTHMPAXYGUGPEA-AWEZNQCLSA-N -1 3 277.364 3.377 20 0 CGADHM CC(=O)c1csc(C(=O)Nc2ccc(C)cc2[O-])c1 ZINC000106902307 534944551 /nfs/dbraw/zinc/94/45/51/534944551.db2.gz CAJMJYSFFRNVGU-UHFFFAOYSA-N -1 3 275.329 3.217 20 0 CGADHM Cc1ccc(NC(=O)c2cnn(-c3ccccc3)c2)c([O-])c1 ZINC000017410505 344887904 /nfs/dbraw/zinc/88/79/04/344887904.db2.gz QKKOIODJKVCPAR-UHFFFAOYSA-N -1 3 293.326 3.139 20 0 CGADHM CCn1c2ccccc2nc1NC(=O)c1ccc(C)cc1[O-] ZINC000021592385 344893132 /nfs/dbraw/zinc/89/31/32/344893132.db2.gz NCWJEADNYKBMQQ-UHFFFAOYSA-N -1 3 295.342 3.323 20 0 CGADHM O=C([N-]c1cnoc1)c1cc2cc(Cl)ccc2o1 ZINC000623942097 349922368 /nfs/dbraw/zinc/92/23/68/349922368.db2.gz UWQIKKRKLYDXMC-UHFFFAOYSA-N -1 3 262.652 3.327 20 0 CGADHM CN(CC1CCCCC1)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000053422853 345121205 /nfs/dbraw/zinc/12/12/05/345121205.db2.gz UOMGNEHEYZXNRQ-UHFFFAOYSA-N -1 3 298.386 3.180 20 0 CGADHM COc1ccc(C(=O)Nc2ccc(C)cc2[O-])c(F)c1 ZINC000060882101 345224101 /nfs/dbraw/zinc/22/41/01/345224101.db2.gz CHGJQWDVWPKGSJ-UHFFFAOYSA-N -1 3 275.279 3.101 20 0 CGADHM CC(C)CN(Cc1ccc(C(=O)[O-])cc1F)C1CC1 ZINC000062754312 345239718 /nfs/dbraw/zinc/23/97/18/345239718.db2.gz KOVDXFFTWBQLOV-UHFFFAOYSA-N -1 3 265.328 3.144 20 0 CGADHM Cc1ccnc(NC(=O)c2cc3c(cc2[O-])CCCC3)c1 ZINC000065617041 345275278 /nfs/dbraw/zinc/27/52/78/345275278.db2.gz WJIVOSDZIVRIMW-UHFFFAOYSA-N -1 3 282.343 3.227 20 0 CGADHM Cc1nnc([N-]C(=O)c2sc(CC(C)C)nc2C)s1 ZINC000067958742 345338915 /nfs/dbraw/zinc/33/89/15/345338915.db2.gz MVHZYPHKQCIUCQ-UHFFFAOYSA-N -1 3 296.421 3.062 20 0 CGADHM COC(=O)c1cc(C(=O)Nc2ccc(C3CCC3)cc2)c[n-]1 ZINC000351642060 219157215 /nfs/dbraw/zinc/15/72/15/219157215.db2.gz TUYVVBMLCVXUJK-UHFFFAOYSA-N -1 3 298.342 3.321 20 0 CGADHM Cc1cc([N-]C(=O)[C@H](C)Nc2cccc3c2CCCC3)on1 ZINC000078455940 345609370 /nfs/dbraw/zinc/60/93/70/345609370.db2.gz WYMVXSJMCCNHQQ-LBPRGKRZSA-N -1 3 299.374 3.301 20 0 CGADHM C[C@@H](NC(=O)c1ccccc1[O-])c1cccc(F)c1F ZINC000155802021 232224732 /nfs/dbraw/zinc/22/47/32/232224732.db2.gz SKYHGABGFWPCED-SECBINFHSA-N -1 3 277.270 3.161 20 0 CGADHM CCc1cccc(C(=O)N2CCS[C@H](C(C)C)C2)c1[O-] ZINC000081793180 345718550 /nfs/dbraw/zinc/71/85/50/345718550.db2.gz WZSGOKDJAOQILP-AWEZNQCLSA-N -1 3 293.432 3.168 20 0 CGADHM Cc1nc(C)c(NC(=O)c2c[n-]nc2-c2ccccc2)s1 ZINC000081853432 345719960 /nfs/dbraw/zinc/71/99/60/345719960.db2.gz LGQGBTFOPBWQND-UHFFFAOYSA-N -1 3 298.371 3.402 20 0 CGADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCCC1 ZINC000157005001 232230674 /nfs/dbraw/zinc/23/06/74/232230674.db2.gz CAYQERAAZWNMOI-UHFFFAOYSA-N -1 3 283.327 3.421 20 0 CGADHM CN(CCc1ccccc1)Cc1ccsc1C(=O)[O-] ZINC000088197458 345758151 /nfs/dbraw/zinc/75/81/51/345758151.db2.gz UMORGNHXZUFXMS-UHFFFAOYSA-N -1 3 275.373 3.121 20 0 CGADHM Cc1ccc([O-])c(CN(CCC(F)(F)F)CC2CC2)n1 ZINC000091901496 345825142 /nfs/dbraw/zinc/82/51/42/345825142.db2.gz DYPBHKBBZPSFIA-UHFFFAOYSA-N -1 3 288.313 3.260 20 0 CGADHM CC[C@H](c1ccc(F)cc1)N1CCC(CC(=O)[O-])CC1 ZINC000093682420 345883665 /nfs/dbraw/zinc/88/36/65/345883665.db2.gz VGFAGDQPIXPPOO-OAHLLOKOSA-N -1 3 279.355 3.464 20 0 CGADHM Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)c(F)c1 ZINC000105589595 345928796 /nfs/dbraw/zinc/92/87/96/345928796.db2.gz YQRCVXSYGCQPIG-UHFFFAOYSA-N -1 3 297.326 3.382 20 0 CGADHM O=C([O-])c1sccc1CN1CCCc2ccccc2C1 ZINC000110956912 345947850 /nfs/dbraw/zinc/94/78/50/345947850.db2.gz IQCWDTHZNDFWSY-UHFFFAOYSA-N -1 3 287.384 3.395 20 0 CGADHM Cc1ccc(NC(=O)c2ncccc2OC(C)C)c([O-])c1 ZINC000175183145 232313600 /nfs/dbraw/zinc/31/36/00/232313600.db2.gz IXHDKGMCLJLUJA-UHFFFAOYSA-N -1 3 286.331 3.135 20 0 CGADHM C[C@@H](Cc1ccccc1F)C(=O)Nc1ccccc1[O-] ZINC000130261802 346055901 /nfs/dbraw/zinc/05/59/01/346055901.db2.gz MKDZBFXMWRGJMX-NSHDSACASA-N -1 3 273.307 3.349 20 0 CGADHM Cc1ccc([N-]S(=O)(=O)c2cc(C)cc(F)c2)c(F)c1 ZINC000176675115 232343191 /nfs/dbraw/zinc/34/31/91/232343191.db2.gz KMTUKXBVKJPVQY-UHFFFAOYSA-N -1 3 297.326 3.382 20 0 CGADHM CCCc1ncc(C(=O)[N-]c2nnc(C3CC3)s2)s1 ZINC000151952129 346139750 /nfs/dbraw/zinc/13/97/50/346139750.db2.gz ZNIAHIOXCOLMLP-UHFFFAOYSA-N -1 3 294.405 3.077 20 0 CGADHM CSc1ccc(C=Cc2nc(C)cc(=O)[n-]2)cc1 ZINC000167640487 346188840 /nfs/dbraw/zinc/18/88/40/346188840.db2.gz ZRPDMWCAGQSASA-VMPITWQZSA-N -1 3 258.346 3.383 20 0 CGADHM C[C@H](CCc1ccccc1F)C(=O)Nc1ncccc1[O-] ZINC000175024665 346246380 /nfs/dbraw/zinc/24/63/80/346246380.db2.gz YESZGXDDKLDEHH-LLVKDONJSA-N -1 3 288.322 3.134 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)N2CC[C@H](Cc3ccccc3)C2)n1 ZINC000192601505 346268150 /nfs/dbraw/zinc/26/81/50/346268150.db2.gz QZBQCDAVEIZNBS-GDBMZVCRSA-N -1 3 297.402 3.116 20 0 CGADHM CC(C)c1nc(CN2CC[C@](C(=O)[O-])(C(C)C)C2)cs1 ZINC000232771625 346327640 /nfs/dbraw/zinc/32/76/40/346327640.db2.gz KSCUGENKWVGSQI-OAHLLOKOSA-N -1 3 296.436 3.199 20 0 CGADHM CC[C@@H](NC(=O)c1ccc(O)cc1[O-])C1CCCCC1 ZINC000227416822 346309189 /nfs/dbraw/zinc/30/91/89/346309189.db2.gz CCXFBXKVEPOFDJ-CQSZACIVSA-N -1 3 277.364 3.187 20 0 CGADHM O=C([O-])[C@@H]1[C@H]2CCC[C@H]2CN1Cc1ccc(F)c(Cl)c1 ZINC000300127890 346436114 /nfs/dbraw/zinc/43/61/14/346436114.db2.gz JEJCALRHEKSMET-MJVIPROJSA-N -1 3 297.757 3.164 20 0 CGADHM CC(C)(NC(=O)c1cc([O-])ccc1Cl)C(F)(F)F ZINC000393854181 346576150 /nfs/dbraw/zinc/57/61/50/346576150.db2.gz FHDJIJCNNJBOSO-UHFFFAOYSA-N -1 3 281.661 3.116 20 0 CGADHM COC(=O)c1cc(Cl)cc(NC(=O)[C@H](C)C(C)C)c1[O-] ZINC000588097662 346749357 /nfs/dbraw/zinc/74/93/57/346749357.db2.gz YQQQELATWNWSMW-MRVPVSSYSA-N -1 3 299.754 3.063 20 0 CGADHM CCS[C@@H]1CC[C@H](N(C)Cc2cc(C)c(C(=O)[O-])o2)C1 ZINC000593739710 347110058 /nfs/dbraw/zinc/11/00/58/347110058.db2.gz IFORMVCUEREDSR-WCQYABFASA-N -1 3 297.420 3.392 20 0 CGADHM CCSC1(CNCc2cccc([O-])c2Cl)CC1 ZINC000594986960 347250219 /nfs/dbraw/zinc/25/02/19/347250219.db2.gz PMAWLBIFGAVCQZ-UHFFFAOYSA-N -1 3 271.813 3.421 20 0 CGADHM CC[C@H](NCc1cccc([O-])c1Cl)[C@@H]1CCCO1 ZINC000339326427 215097023 /nfs/dbraw/zinc/09/70/23/215097023.db2.gz XVDOPGLKHWFCCK-AAEUAGOBSA-N -1 3 269.772 3.093 20 0 CGADHM Cc1nc(CSCc2cc([O-])ccc2Cl)no1 ZINC000600614756 347814365 /nfs/dbraw/zinc/81/43/65/347814365.db2.gz BMPFRKXNICMFRI-UHFFFAOYSA-N -1 3 270.741 3.170 20 0 CGADHM CCc1ccc([O-])c(C(=O)N[C@H]2CCc3c2cccc3O)c1 ZINC000600993327 347851581 /nfs/dbraw/zinc/85/15/81/347851581.db2.gz OYWNLISPRHGGLO-HNNXBMFYSA-N -1 3 297.354 3.078 20 0 CGADHM CC[C@@H](C)n1cc(-c2cc([O-])cc(C(=O)OC)c2)cn1 ZINC000600788523 347835935 /nfs/dbraw/zinc/83/59/35/347835935.db2.gz DCJUUVCNKSYSFI-SNVBAGLBSA-N -1 3 274.320 3.013 20 0 CGADHM C[C@H](NCc1cccc([O-])c1Cl)c1cncc(F)c1 ZINC000339348153 215111407 /nfs/dbraw/zinc/11/14/07/215111407.db2.gz ZSJWNGITODCFPF-VIFPVBQESA-N -1 3 280.730 3.431 20 0 CGADHM C[C@]1(CNCc2cccc([O-])c2Cl)CCO[C@@H]1C1CC1 ZINC000339364397 215123990 /nfs/dbraw/zinc/12/39/90/215123990.db2.gz UNMBGZVJBABPBF-HZPDHXFCSA-N -1 3 295.810 3.340 20 0 CGADHM C[C@@H](CCSc1ccccc1)SCCc1nnn[n-]1 ZINC000603341088 348072567 /nfs/dbraw/zinc/07/25/67/348072567.db2.gz XJSITGHHNYDWJV-NSHDSACASA-N -1 3 294.449 3.046 20 0 CGADHM C[C@@H](CCSc1ccccc1)SCCc1nn[n-]n1 ZINC000603341088 348072572 /nfs/dbraw/zinc/07/25/72/348072572.db2.gz XJSITGHHNYDWJV-NSHDSACASA-N -1 3 294.449 3.046 20 0 CGADHM [O-]c1cccc(CNCc2ccc3cc[nH]c3n2)c1Cl ZINC000339405859 215150525 /nfs/dbraw/zinc/15/05/25/215150525.db2.gz BXVOQQPOAXFRBR-UHFFFAOYSA-N -1 3 287.750 3.212 20 0 CGADHM CCc1ccc([C@H](C)CC(=O)Nc2ncccc2[O-])cc1 ZINC000606530305 348190056 /nfs/dbraw/zinc/19/00/56/348190056.db2.gz NODRHLLZMUFBCV-GFCCVEGCSA-N -1 3 284.359 3.482 20 0 CGADHM CCc1cc([N-]C(=O)c2cnc(-c3ccccc3)s2)no1 ZINC000606887241 348203939 /nfs/dbraw/zinc/20/39/39/348203939.db2.gz FSWXKIBQRJCVTR-UHFFFAOYSA-N -1 3 299.355 3.035 20 0 CGADHM CCc1cc([N-]C(=O)c2cc3cc(Cl)ccc3o2)no1 ZINC000606890990 348204629 /nfs/dbraw/zinc/20/46/29/348204629.db2.gz ZYMZCQUTFIPWLJ-UHFFFAOYSA-N -1 3 290.706 3.311 20 0 CGADHM CC(C)c1ccc(C(=O)N2C[C@@H](C)S[C@@H](C)C2)c([O-])c1 ZINC000608474747 348311226 /nfs/dbraw/zinc/31/12/26/348311226.db2.gz SZSOKDAMPYKUPQ-TXEJJXNPSA-N -1 3 293.432 3.482 20 0 CGADHM O=C(NCc1ccc([O-])c(F)c1)N1C2CCCC1CCC2 ZINC000608694138 348323205 /nfs/dbraw/zinc/32/32/05/348323205.db2.gz VYFXBSQPHDUFGG-UHFFFAOYSA-N -1 3 292.354 3.148 20 0 CGADHM CSc1ccc([O-])c(C(=O)N2CCSC(C)(C)C2)c1 ZINC000612068756 348490451 /nfs/dbraw/zinc/49/04/51/348490451.db2.gz WXOGXACXLLDKFE-UHFFFAOYSA-N -1 3 297.445 3.082 20 0 CGADHM CCCCCc1cc(C(=O)Nc2ccc([O-])cc2F)n[nH]1 ZINC000613332788 348591722 /nfs/dbraw/zinc/59/17/22/348591722.db2.gz XMGIURXTIAOSLH-UHFFFAOYSA-N -1 3 291.326 3.239 20 0 CGADHM CC(C)(C)O[C@@H]1C[C@H]1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000613029226 348559922 /nfs/dbraw/zinc/55/99/22/348559922.db2.gz XPDLMQALFWNIKG-BXKDBHETSA-N -1 3 283.755 3.188 20 0 CGADHM CO[C@H](C(=O)Nc1cccc([O-])c1F)C1CCCCC1 ZINC000613110552 348564817 /nfs/dbraw/zinc/56/48/17/348564817.db2.gz PTAFFUAYRGEAJE-AWEZNQCLSA-N -1 3 281.327 3.065 20 0 CGADHM CC(C)(CC(F)(F)F)C(=O)Nc1cccc([O-])c1F ZINC000613111061 348565808 /nfs/dbraw/zinc/56/58/08/348565808.db2.gz XYFKNICWGHMNOD-UHFFFAOYSA-N -1 3 279.233 3.448 20 0 CGADHM C[C@H]1CCN(C(=O)C2CC3(CC3)C2)c2c([O-])cccc21 ZINC000613575887 348620002 /nfs/dbraw/zinc/62/00/02/348620002.db2.gz FVGUWGNZRSCRMR-NSHDSACASA-N -1 3 271.360 3.423 20 0 CGADHM CSc1ccc([O-])c(C(=O)N2CC[C@@H]3CCC[C@@H]32)c1 ZINC000613697277 348628175 /nfs/dbraw/zinc/62/81/75/348628175.db2.gz XSSPMRYRYMNFJK-GWCFXTLKSA-N -1 3 277.389 3.129 20 0 CGADHM Cc1c[nH]cc1C(=O)Nc1ccc(Br)cc1[O-] ZINC000613705452 348628640 /nfs/dbraw/zinc/62/86/40/348628640.db2.gz GFMKJHXJFFCLJA-UHFFFAOYSA-N -1 3 295.136 3.044 20 0 CGADHM Cc1nc(C(C)C)oc1CNC(=O)c1ccc([O-])c(C)c1 ZINC000615153842 348717855 /nfs/dbraw/zinc/71/78/55/348717855.db2.gz RIRFSWZWRDENLW-UHFFFAOYSA-N -1 3 288.347 3.050 20 0 CGADHM Cc1nnc(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])s1 ZINC000614487503 348680294 /nfs/dbraw/zinc/68/02/94/348680294.db2.gz AWQSREQHOUDWQP-UHFFFAOYSA-N -1 3 291.376 3.102 20 0 CGADHM CC1(C(=O)NCc2ccc([O-])c3ncccc23)CCCC1 ZINC000616025834 348782302 /nfs/dbraw/zinc/78/23/02/348782302.db2.gz WHCXMTSNGLNWIL-UHFFFAOYSA-N -1 3 284.359 3.137 20 0 CGADHM CCC(C)(C)CC(=O)NCc1ccc([O-])c2ncccc12 ZINC000616024473 348782609 /nfs/dbraw/zinc/78/26/09/348782609.db2.gz CLAMQZMFBKDTBW-UHFFFAOYSA-N -1 3 286.375 3.383 20 0 CGADHM CC1(C)CCC[C@H]1C(=O)NCc1ccc([O-])c2ncccc12 ZINC000616022591 348782617 /nfs/dbraw/zinc/78/26/17/348782617.db2.gz HUUZEWMWDANPHT-AWEZNQCLSA-N -1 3 298.386 3.383 20 0 CGADHM CC(C)c1cc(C(=O)N2CCOC2)c([O-])c(C(C)C)c1 ZINC000615752493 348763613 /nfs/dbraw/zinc/76/36/13/348763613.db2.gz HXBSZFYEAIYDJF-UHFFFAOYSA-N -1 3 277.364 3.069 20 0 CGADHM C[C@@H](CC(=O)Nc1ccc([O-])cc1Cl)[C@H]1CCCO1 ZINC000616942989 348885655 /nfs/dbraw/zinc/88/56/55/348885655.db2.gz KILRNSUSIYBXAI-TVQRCGJNSA-N -1 3 283.755 3.189 20 0 CGADHM Cc1ccc(CNCc2c(F)ccc([O-])c2F)cc1 ZINC000352002265 219284497 /nfs/dbraw/zinc/28/44/97/219284497.db2.gz GRWILXKCJUPEDU-UHFFFAOYSA-N -1 3 263.287 3.269 20 0 CGADHM Cc1ccc(C(=O)N2CCc3ccc(C)cc3C2)c([O-])c1 ZINC000617604702 348981520 /nfs/dbraw/zinc/98/15/20/348981520.db2.gz PNQYCCOTCGNMMX-UHFFFAOYSA-N -1 3 281.355 3.208 20 0 CGADHM O=C(c1cccc2[n-]nnc21)N1CC[C@@H](C2CCCCC2)C1 ZINC000618185043 349058491 /nfs/dbraw/zinc/05/84/91/349058491.db2.gz KJFKXFRUOUNEGF-CYBMUJFWSA-N -1 3 298.390 3.000 20 0 CGADHM O=C(c1cccc2nn[n-]c21)N1CC[C@@H](C2CCCCC2)C1 ZINC000618185043 349058493 /nfs/dbraw/zinc/05/84/93/349058493.db2.gz KJFKXFRUOUNEGF-CYBMUJFWSA-N -1 3 298.390 3.000 20 0 CGADHM O=C(c1cccc2n[n-]nc21)N1CC[C@@H](C2CCCCC2)C1 ZINC000618185043 349058494 /nfs/dbraw/zinc/05/84/94/349058494.db2.gz KJFKXFRUOUNEGF-CYBMUJFWSA-N -1 3 298.390 3.000 20 0 CGADHM O=C(NCCCC1CCC1)c1cc([O-])ccc1Cl ZINC000618615214 349123697 /nfs/dbraw/zinc/12/36/97/349123697.db2.gz ZHIWFCQPMFPCLF-UHFFFAOYSA-N -1 3 267.756 3.356 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2c(F)cccc2Cl)n1 ZINC000352027897 219293355 /nfs/dbraw/zinc/29/33/55/219293355.db2.gz RGOBNEOANSJJNM-AATRIKPKSA-N -1 3 264.687 3.454 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2cn(C)nc2-c2ccccc2)n1 ZINC000352028791 219295702 /nfs/dbraw/zinc/29/57/02/219295702.db2.gz WKRXANBQBDZBNI-CMDGGOBGSA-N -1 3 292.342 3.062 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2coc3ccccc23)n1 ZINC000352036438 219298707 /nfs/dbraw/zinc/29/87/07/219298707.db2.gz ZSVWKEMPJZXFJF-VOTSOKGWSA-N -1 3 252.273 3.407 20 0 CGADHM O=C(c1ccccc1[O-])N1CCC[C@H](C2CCC2)C1 ZINC000620213405 349341206 /nfs/dbraw/zinc/34/12/06/349341206.db2.gz CTTJPBSGUWCSFD-ZDUSSCGKSA-N -1 3 259.349 3.045 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)N(CCC1CC1)CC1CC1 ZINC000620632515 349401629 /nfs/dbraw/zinc/40/16/29/349401629.db2.gz ZOWQCIPRQGDDET-UHFFFAOYSA-N -1 3 291.366 3.113 20 0 CGADHM Cc1noc(C)c1[C@H](C)C(=O)Nc1ccc(C)cc1[O-] ZINC000624240125 350009403 /nfs/dbraw/zinc/00/94/03/350009403.db2.gz WDFRZMOPXOHBIU-VIFPVBQESA-N -1 3 274.320 3.048 20 0 CGADHM Cc1ccc(C(=O)N(C)[C@@H](C)c2cccnc2)c([O-])c1C ZINC000271230276 191017036 /nfs/dbraw/zinc/01/70/36/191017036.db2.gz IMTADSBQQJFTSG-ZDUSSCGKSA-N -1 3 284.359 3.237 20 0 CGADHM Cc1nccn1CCCN(C)Cc1cc([O-])ccc1Cl ZINC000625262728 350149385 /nfs/dbraw/zinc/14/93/85/350149385.db2.gz FZQZKAVVGDGHKX-UHFFFAOYSA-N -1 3 293.798 3.073 20 0 CGADHM CN(Cc1cc([O-])ccc1Cl)[C@@H](CO)c1ccccc1 ZINC000625140235 350132655 /nfs/dbraw/zinc/13/26/55/350132655.db2.gz RYZODRZCUOSGTM-INIZCTEOSA-N -1 3 291.778 3.211 20 0 CGADHM CC[C@H]1CN(Cc2cc([O-])ccc2Cl)C[C@H](C)O1 ZINC000625161745 350135843 /nfs/dbraw/zinc/13/58/43/350135843.db2.gz WGCWNLIFCIEDCW-GWCFXTLKSA-N -1 3 269.772 3.045 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CC[C@@H](c2cccc(F)c2)C1 ZINC000625289509 350153778 /nfs/dbraw/zinc/15/37/78/350153778.db2.gz FKXXRZBKCBRBMJ-CQSZACIVSA-N -1 3 299.345 3.469 20 0 CGADHM CCCO[C@@H]1CCCN(C(=O)c2c(C)cccc2[O-])CC1 ZINC000625383147 350165462 /nfs/dbraw/zinc/16/54/62/350165462.db2.gz KKJTZFTZIYVRKW-CQSZACIVSA-N -1 3 291.391 3.122 20 0 CGADHM [O-]c1ccc(Cl)c(CN2CCSC[C@@H]2C2CC2)c1 ZINC000625459296 350175447 /nfs/dbraw/zinc/17/54/47/350175447.db2.gz GKNIKPHLEYHTHF-CQSZACIVSA-N -1 3 283.824 3.373 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1[C@H](C)C[C@H]2CCCC[C@H]21 ZINC000625695449 350196569 /nfs/dbraw/zinc/19/65/69/350196569.db2.gz NONXLMGDCQCRPF-MGPQQGTHSA-N -1 3 273.376 3.494 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1C[C@H](C)CCC[C@H]1C ZINC000625797185 350214911 /nfs/dbraw/zinc/21/49/11/350214911.db2.gz RTOAEVWRLABAEC-DGCLKSJQSA-N -1 3 261.365 3.351 20 0 CGADHM C/C=C\C[C@H]1CCCN(Cc2cc(C(=O)[O-])c(C)o2)C1 ZINC000625971632 350237903 /nfs/dbraw/zinc/23/79/03/350237903.db2.gz NEAIQOACAVPIHX-SCOBNMCVSA-N -1 3 277.364 3.464 20 0 CGADHM Cc1cc(CN2CC[C@H](C(=O)[O-])[C@@H](C)C2)ccc1Cl ZINC000625970525 350238090 /nfs/dbraw/zinc/23/80/90/350238090.db2.gz TVCUJHRZLRDDPW-AAEUAGOBSA-N -1 3 281.783 3.191 20 0 CGADHM FC(F)(F)c1nnc(CNc2ccnc3ccsc32)[n-]1 ZINC000359712933 233363851 /nfs/dbraw/zinc/36/38/51/233363851.db2.gz LHGSQEDGSDVACJ-UHFFFAOYSA-N -1 3 299.281 3.045 20 0 CGADHM FC(F)(F)c1nc(CNc2ccnc3ccsc32)n[n-]1 ZINC000359712933 233363853 /nfs/dbraw/zinc/36/38/53/233363853.db2.gz LHGSQEDGSDVACJ-UHFFFAOYSA-N -1 3 299.281 3.045 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CCS[C@H]2CCCC[C@H]21 ZINC000626031380 350251673 /nfs/dbraw/zinc/25/16/73/350251673.db2.gz BITSXULZRNQSRW-OCCSQVGLSA-N -1 3 291.416 3.201 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CCC[C@@H](c2ccncc2)C1 ZINC000627231119 350355071 /nfs/dbraw/zinc/35/50/71/350355071.db2.gz HSMZCMMTFSKAPI-OAHLLOKOSA-N -1 3 296.370 3.115 20 0 CGADHM Cc1ccnc([C@@H]2CCN(C(=O)c3c(C)cccc3[O-])C2)c1 ZINC000627644009 350372991 /nfs/dbraw/zinc/37/29/91/350372991.db2.gz AKSGDTJHGPKDNO-CQSZACIVSA-N -1 3 296.370 3.034 20 0 CGADHM CCCC[C@H](CC)CSc1nc2c(cnn2C)c(=O)[n-]1 ZINC000629216144 350670266 /nfs/dbraw/zinc/67/02/66/350670266.db2.gz CKPDNLBYAXDDBT-JTQLQIEISA-N -1 3 294.424 3.377 20 0 CGADHM C[C@H]1CN(CCc2c(F)cccc2Cl)CC[C@H]1C(=O)[O-] ZINC000629495042 350697058 /nfs/dbraw/zinc/69/70/58/350697058.db2.gz GVBKSSRVARHUKA-WDEREUQCSA-N -1 3 299.773 3.064 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)c1coc(C(F)F)c1 ZINC000630011855 350796864 /nfs/dbraw/zinc/79/68/64/350796864.db2.gz OEDDYGHVTZKWSX-UHFFFAOYSA-N -1 3 283.278 3.046 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@@H](C)Cc1ccccc1C ZINC000630012108 350797004 /nfs/dbraw/zinc/79/70/04/350797004.db2.gz RYHPJOWLKFJZMD-ZDUSSCGKSA-N -1 3 299.418 3.389 20 0 CGADHM Cc1ccc2oc([N-]c3cnn4c3CCCC4)nc2c1 ZINC000631487632 351051485 /nfs/dbraw/zinc/05/14/85/351051485.db2.gz XPWHUYHZBFPJQH-UHFFFAOYSA-N -1 3 268.320 3.413 20 0 CGADHM Cc1ccc(C(=O)N2CCC(CCF)CC2)c([O-])c1C ZINC000633960888 351404720 /nfs/dbraw/zinc/40/47/20/351404720.db2.gz DZGFXGMEKXDDAC-UHFFFAOYSA-N -1 3 279.355 3.221 20 0 CGADHM O=C(N[C@@H]1CCCC12CC2)c1cc([O-])ccc1C(F)(F)F ZINC000633782522 351370504 /nfs/dbraw/zinc/37/05/04/351370504.db2.gz ZWPKSIISMIDGLF-GFCCVEGCSA-N -1 3 299.292 3.474 20 0 CGADHM CC(=O)c1cccc(NC(=O)[C@@H]2CCCC(F)(F)C2)c1[O-] ZINC000336512446 213390324 /nfs/dbraw/zinc/39/03/24/213390324.db2.gz YUFUFRPXTDMFNM-SNVBAGLBSA-N -1 3 297.301 3.359 20 0 CGADHM Cc1c2occ([O-])c2ccc1OCCCOC(C)(C)C ZINC000634560213 351514392 /nfs/dbraw/zinc/51/43/92/351514392.db2.gz ABEBEHLZLMELQB-UHFFFAOYSA-N -1 3 278.348 3.154 20 0 CGADHM CCOCC(=O)[N-]c1onc(C2CCCCC2)c1C ZINC000291404027 198012417 /nfs/dbraw/zinc/01/24/17/198012417.db2.gz FKLXDZBLORPVCA-UHFFFAOYSA-N -1 3 266.341 3.006 20 0 CGADHM C[C@@H]1CCc2[n-]n(Cc3ccc(C(F)(F)F)cc3)c(=O)c21 ZINC000634590510 351527814 /nfs/dbraw/zinc/52/78/14/351527814.db2.gz BKVNFSRRBDJGJP-NOZJJQNGSA-N -1 3 296.292 3.450 20 0 CGADHM O=C(Nc1ccc([O-])cc1Cl)[C@H]1CCN1C1CCCC1 ZINC000636170606 351727243 /nfs/dbraw/zinc/72/72/43/351727243.db2.gz RMSCQJYVQCBUEJ-CQSZACIVSA-N -1 3 294.782 3.001 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)Nc1ccc2c(c1)OC(C)(C)O2 ZINC000291772058 198086873 /nfs/dbraw/zinc/08/68/73/198086873.db2.gz MTUUKXNKCRDBPC-JTQLQIEISA-N -1 3 294.351 3.293 20 0 CGADHM Cc1cccc(C(=O)N2CCC[C@@H]2c2ccc[nH]2)c1[O-] ZINC000123490085 187095124 /nfs/dbraw/zinc/09/51/24/187095124.db2.gz MOCOTINYOKAVET-CQSZACIVSA-N -1 3 270.332 3.006 20 0 CGADHM O=C([N-]OC1CCCC1)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000271639412 191253779 /nfs/dbraw/zinc/25/37/79/191253779.db2.gz CIYSSORYLYUVBW-WDEREUQCSA-N -1 3 281.302 3.059 20 0 CGADHM CC[C@@H](CC(=O)[N-]OCc1cccnc1)c1ccccc1 ZINC000152697219 188037169 /nfs/dbraw/zinc/03/71/69/188037169.db2.gz AGQMHOANUHMKSE-HNNXBMFYSA-N -1 3 284.359 3.213 20 0 CGADHM CC(C)CO[N-]C(=O)C[C@@H](C)c1cccc(F)c1 ZINC000153603087 188092255 /nfs/dbraw/zinc/09/22/55/188092255.db2.gz SMHALPXAPMDWNC-LLVKDONJSA-N -1 3 253.317 3.023 20 0 CGADHM CC(C)[C@H](Cc1ccccc1)C(=O)[N-]OCc1cccnc1 ZINC000155895657 188233242 /nfs/dbraw/zinc/23/32/42/188233242.db2.gz XPNZTCOICNJIGX-KRWDZBQOSA-N -1 3 298.386 3.144 20 0 CGADHM CC(C)CON=C([O-])Nc1cccc(Cl)c1F ZINC000158424354 188375469 /nfs/dbraw/zinc/37/54/69/188375469.db2.gz MJRBBYMIJSWOQO-UHFFFAOYSA-N -1 3 260.696 3.188 20 0 CGADHM CC(C)CO[N-]C(=O)Nc1cccc(Cl)c1F ZINC000158424354 188375470 /nfs/dbraw/zinc/37/54/70/188375470.db2.gz MJRBBYMIJSWOQO-UHFFFAOYSA-N -1 3 260.696 3.188 20 0 CGADHM CC(C)CO[N-]C(=O)Nc1cccc(OC(F)(F)F)c1 ZINC000158732699 188391897 /nfs/dbraw/zinc/39/18/97/188391897.db2.gz USXSYZUOFKMOAJ-UHFFFAOYSA-N -1 3 292.257 3.294 20 0 CGADHM CCCCN(CCCO)C(=O)c1ccc(C(C)C)cc1[O-] ZINC000271762897 191311398 /nfs/dbraw/zinc/31/13/98/191311398.db2.gz PCVNBVBZOQBMQL-UHFFFAOYSA-N -1 3 293.407 3.140 20 0 CGADHM COCC(C)(C)CC(=O)Nc1cc(Cl)ccc1[O-] ZINC000411579095 235069828 /nfs/dbraw/zinc/06/98/28/235069828.db2.gz BIIXITFFKKSYQC-UHFFFAOYSA-N -1 3 271.744 3.047 20 0 CGADHM C[C@@H](CC(F)(F)F)C(=O)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000411461101 235057703 /nfs/dbraw/zinc/05/77/03/235057703.db2.gz VZHSLDBDWMAYCM-VIFPVBQESA-N -1 3 297.280 3.026 20 0 CGADHM CN(C)c1ccc(NC([O-])=NOC2CCCC2)cc1Cl ZINC000271781112 191321597 /nfs/dbraw/zinc/32/15/97/191321597.db2.gz FZYOWBBXPSJMOP-UHFFFAOYSA-N -1 3 297.786 3.402 20 0 CGADHM CN(C)c1ccc(NC(=O)[N-]OC2CCCC2)cc1Cl ZINC000271781112 191321598 /nfs/dbraw/zinc/32/15/98/191321598.db2.gz FZYOWBBXPSJMOP-UHFFFAOYSA-N -1 3 297.786 3.402 20 0 CGADHM CC(C)COc1ccc(NC([O-])=NOC2CCCC2)cn1 ZINC000271868217 191378701 /nfs/dbraw/zinc/37/87/01/191378701.db2.gz VRMZXYRNKYQXFI-UHFFFAOYSA-N -1 3 293.367 3.112 20 0 CGADHM CC(C)COc1ccc(NC(=O)[N-]OC2CCCC2)cn1 ZINC000271868217 191378704 /nfs/dbraw/zinc/37/87/04/191378704.db2.gz VRMZXYRNKYQXFI-UHFFFAOYSA-N -1 3 293.367 3.112 20 0 CGADHM CCC(CC)n1ccc(C[S@](=O)c2cccc([O-])c2)n1 ZINC000273554170 192199624 /nfs/dbraw/zinc/19/96/24/192199624.db2.gz ZJNVNLMBJASFER-FQEVSTJZSA-N -1 3 292.404 3.258 20 0 CGADHM Cc1noc([N-]Cc2ccc(Oc3ccccc3)o2)n1 ZINC000182573017 138431627 /nfs/dbraw/zinc/43/16/27/138431627.db2.gz XHFVHHYXALBHFI-UHFFFAOYSA-N -1 3 271.276 3.375 20 0 CGADHM Cc1cccc(F)c1S(=O)(=O)[N-][C@H](C)c1ccccc1 ZINC000184507426 138434079 /nfs/dbraw/zinc/43/40/79/138434079.db2.gz ZHCAPOFMBFPUSC-GFCCVEGCSA-N -1 3 293.363 3.174 20 0 CGADHM Cc1cc(C(=O)N2CC(C)(C)[C@H]3CCC[C@H]32)ccc1[O-] ZINC000294130074 198920736 /nfs/dbraw/zinc/92/07/36/198920736.db2.gz CRNVXSPDPKEOSQ-UONOGXRCSA-N -1 3 273.376 3.351 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)[C@]2(C)C[C@@H]2F)c1[O-] ZINC000424754687 236187801 /nfs/dbraw/zinc/18/78/01/236187801.db2.gz QOXGLLCXNRHCEF-JOYOIKCWSA-N -1 3 257.692 3.041 20 0 CGADHM Cc1ccc(NC(=O)[C@@H](C)OCCc2ccccc2)c([O-])c1 ZINC000294532768 199075955 /nfs/dbraw/zinc/07/59/55/199075955.db2.gz ZLXRSGHNNLCGQD-CQSZACIVSA-N -1 3 299.370 3.287 20 0 CGADHM C[C@@H](CCCCC(=O)[O-])NCc1ccccc1Cl ZINC000426670508 236305119 /nfs/dbraw/zinc/30/51/19/236305119.db2.gz RNGOCWYRMSTPSM-NSHDSACASA-N -1 3 269.772 3.463 20 0 CGADHM Cc1cccc([C@H](NCc2ccc(F)cc2)C(=O)[O-])c1C ZINC000426717667 236307780 /nfs/dbraw/zinc/30/77/80/236307780.db2.gz QYURRJSNFUIAPO-INIZCTEOSA-N -1 3 287.334 3.358 20 0 CGADHM Cc1ccc([C@H](CC(=O)[O-])NCc2cccc3[nH]ccc32)o1 ZINC000426766282 236312741 /nfs/dbraw/zinc/31/27/41/236312741.db2.gz YXOHYEZQDWWYPJ-HNNXBMFYSA-N -1 3 298.342 3.375 20 0 CGADHM COc1cccc(C(=O)N2CC(C)(C)[C@@H]3CCC[C@H]32)c1[O-] ZINC000294673984 199129142 /nfs/dbraw/zinc/12/91/42/199129142.db2.gz JGLYUGXOXWNPRF-CHWSQXEVSA-N -1 3 289.375 3.052 20 0 CGADHM COc1ccc([O-])c(C(=O)N2CC(C)(C)[C@H]3CCC[C@H]32)c1 ZINC000294718018 199148918 /nfs/dbraw/zinc/14/89/18/199148918.db2.gz KZULKEGUIVFQEI-UONOGXRCSA-N -1 3 289.375 3.052 20 0 CGADHM CC(C)(CNCc1c(F)ccc([O-])c1F)c1ccccn1 ZINC000294749589 199164640 /nfs/dbraw/zinc/16/46/40/199164640.db2.gz IATQYWQGLDIIOM-UHFFFAOYSA-N -1 3 292.329 3.133 20 0 CGADHM CC[C@@H]1CCC[C@H]1C(=O)Nc1ccc([O-])cc1F ZINC000336203546 213022707 /nfs/dbraw/zinc/02/27/07/213022707.db2.gz BRUZQWZCDWTYBM-MWLCHTKSSA-N -1 3 251.301 3.296 20 0 CGADHM O=C(CCCc1ccc([O-])c(F)c1)N1CC(C2CCC2)C1 ZINC000341345271 215933747 /nfs/dbraw/zinc/93/37/47/215933747.db2.gz RLRWASNJHISYDW-UHFFFAOYSA-N -1 3 291.366 3.113 20 0 CGADHM COc1ccc(C(=O)N(C)CCC2CCCCC2)c([O-])c1 ZINC000436631245 237148159 /nfs/dbraw/zinc/14/81/59/237148159.db2.gz TUQLUKPFDIOFJO-UHFFFAOYSA-N -1 3 291.391 3.443 20 0 CGADHM Cc1ccc(C(=O)NCc2coc3ccccc23)c([O-])c1 ZINC000436650125 237151656 /nfs/dbraw/zinc/15/16/56/237151656.db2.gz QRYBROWFACYWPN-UHFFFAOYSA-N -1 3 281.311 3.377 20 0 CGADHM Cc1ccc(C(=O)N[C@@H]2CSc3ccccc32)c([O-])c1 ZINC000436533304 237125135 /nfs/dbraw/zinc/12/51/35/237125135.db2.gz YFCMVAUGNWDCOJ-CYBMUJFWSA-N -1 3 285.368 3.277 20 0 CGADHM O=C(NCc1ccc(C2CC2)cc1)c1ccccc1[O-] ZINC000436556671 237128293 /nfs/dbraw/zinc/12/82/93/237128293.db2.gz SWXCOSHDLUXHLM-UHFFFAOYSA-N -1 3 267.328 3.200 20 0 CGADHM Cc1ccc(C(=O)N[C@@H]2CCCO[C@@H]2CC(C)C)c([O-])c1 ZINC000436562523 237128493 /nfs/dbraw/zinc/12/84/93/237128493.db2.gz JTJNBOVFDIAIFH-GDBMZVCRSA-N -1 3 291.391 3.024 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2Cc3ccccc3[C@H]2C)c1 ZINC000436580324 237136359 /nfs/dbraw/zinc/13/63/59/237136359.db2.gz BJJRVHARWPOOFN-GFCCVEGCSA-N -1 3 267.328 3.418 20 0 CGADHM C[C@H](NC(=O)c1ccccc1[O-])[C@H]1Oc2ccccc2[C@@H]1C ZINC000436585646 237136901 /nfs/dbraw/zinc/13/69/01/237136901.db2.gz KKECNCKBIIHAFP-PRXAMGSTSA-N -1 3 297.354 3.075 20 0 CGADHM Cc1ccc(C(=O)NC2CCC(F)(F)CC2)c([O-])c1C ZINC000436698649 237162032 /nfs/dbraw/zinc/16/20/32/237162032.db2.gz RDIKKKQTXPNIRC-UHFFFAOYSA-N -1 3 283.318 3.317 20 0 CGADHM CN(C(=O)c1ccc2c(c1[O-])OC(C)(C)C2)C1CCCC1 ZINC000436757272 237174258 /nfs/dbraw/zinc/17/42/58/237174258.db2.gz RYWSWMGUVCQGRW-UHFFFAOYSA-N -1 3 289.375 3.120 20 0 CGADHM CCOc1ncccc1NC(=O)c1ccc(C)c(C)c1[O-] ZINC000436759725 237175012 /nfs/dbraw/zinc/17/50/12/237175012.db2.gz FKACVGKVHSAOHG-UHFFFAOYSA-N -1 3 286.331 3.055 20 0 CGADHM C[C@@H](NC(=O)c1ccccc1[O-])c1c(F)cccc1F ZINC000436761558 237177515 /nfs/dbraw/zinc/17/75/15/237177515.db2.gz LEZVEVVOTRMFML-SECBINFHSA-N -1 3 277.270 3.161 20 0 CGADHM Cc1ccc(C(=O)N[C@@H]2CCOc3c(C)cccc32)c([O-])c1 ZINC000436966783 237220751 /nfs/dbraw/zinc/22/07/51/237220751.db2.gz NNKDZIUDCZRPKU-OAHLLOKOSA-N -1 3 297.354 3.263 20 0 CGADHM COCc1cccc(-c2noc(-c3ccccc3[O-])n2)c1 ZINC000436908511 237209861 /nfs/dbraw/zinc/20/98/61/237209861.db2.gz JEFDYQCIOVGDRJ-UHFFFAOYSA-N -1 3 282.299 3.256 20 0 CGADHM Cc1cc(C(=O)N[C@@H](C)CC(=O)c2ccccc2)ccc1[O-] ZINC000436926660 237214388 /nfs/dbraw/zinc/21/43/88/237214388.db2.gz OCNWKOWUFQELPT-ZDUSSCGKSA-N -1 3 297.354 3.092 20 0 CGADHM Cc1cc(C(=O)N2Cc3ccccc3[C@H]2C)ccc1[O-] ZINC000436940640 237215968 /nfs/dbraw/zinc/21/59/68/237215968.db2.gz XEGXVTKTJCSBOK-GFCCVEGCSA-N -1 3 267.328 3.418 20 0 CGADHM O=C(N[C@H]1C[C@H](c2cccc(F)c2)C1)c1ccccc1[O-] ZINC000437417439 237284269 /nfs/dbraw/zinc/28/42/69/237284269.db2.gz ZXJYHRVLPVIAPC-MQMHXKEQSA-N -1 3 285.318 3.207 20 0 CGADHM Cc1cc2occ(CC(=O)[N-]OC(C)C)c2cc1C ZINC000297350650 200158180 /nfs/dbraw/zinc/15/81/80/200158180.db2.gz YEHTYVRAHFQEPE-UHFFFAOYSA-N -1 3 261.321 3.048 20 0 CGADHM CC[C@@H](C)CON=C([O-])Nc1ncc(Cl)cc1C ZINC000297282283 200133899 /nfs/dbraw/zinc/13/38/99/200133899.db2.gz FDXKZOFOTPLLCG-MRVPVSSYSA-N -1 3 271.748 3.143 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)Nc1ncc(Cl)cc1C ZINC000297282283 200133901 /nfs/dbraw/zinc/13/39/01/200133901.db2.gz FDXKZOFOTPLLCG-MRVPVSSYSA-N -1 3 271.748 3.143 20 0 CGADHM Cc1cc(NC([O-])=NOCC2CC2)nn1C1CCCCC1 ZINC000297494899 200210239 /nfs/dbraw/zinc/21/02/39/200210239.db2.gz UQPZOWZVZNBOLK-UHFFFAOYSA-N -1 3 292.383 3.160 20 0 CGADHM Cc1cc(NC(=O)[N-]OCC2CC2)nn1C1CCCCC1 ZINC000297494899 200210241 /nfs/dbraw/zinc/21/02/41/200210241.db2.gz UQPZOWZVZNBOLK-UHFFFAOYSA-N -1 3 292.383 3.160 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)Nc1ccc([C@@H]2CCOC2)cc1 ZINC000297582970 200233534 /nfs/dbraw/zinc/23/35/34/200233534.db2.gz YTTVYSBLTYVZTM-TZMCWYRMSA-N -1 3 292.379 3.290 20 0 CGADHM Cc1noc(C)c1[C@H](C)CC(=O)[N-]OCc1ccccc1 ZINC000179070533 189166615 /nfs/dbraw/zinc/16/66/15/189166615.db2.gz XLSGXNNFWFBVOU-LLVKDONJSA-N -1 3 288.347 3.033 20 0 CGADHM O=C(Nc1ccc([O-])cc1F)c1c[nH]c2cc(F)ccc12 ZINC000119430440 370675442 /nfs/dbraw/zinc/67/54/42/370675442.db2.gz RSCQOFBHQGUCMO-UHFFFAOYSA-N -1 3 288.253 3.404 20 0 CGADHM COCCC[C@H](C)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000182359658 189321125 /nfs/dbraw/zinc/32/11/25/189321125.db2.gz NTCKFUIMBJHVDV-VIFPVBQESA-N -1 3 271.744 3.047 20 0 CGADHM CN(C(=O)c1cccc([O-])c1)[C@@H]1CCc2ccccc2C1 ZINC000182448126 189323946 /nfs/dbraw/zinc/32/39/46/189323946.db2.gz NYSIHWNBADSCFL-MRXNPFEDSA-N -1 3 281.355 3.022 20 0 CGADHM CCC(CC)[C@@H]1C[C@@H](NC(=O)c2cccc([O-])c2)CCO1 ZINC000183003646 189342179 /nfs/dbraw/zinc/34/21/79/189342179.db2.gz UYIBRKJKYNWLEA-HOCLYGCPSA-N -1 3 291.391 3.106 20 0 CGADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H](C)C3CCC3)nc2)n1 ZINC000301859062 201236339 /nfs/dbraw/zinc/23/63/39/201236339.db2.gz SNPHDFMMWKQRTA-LLVKDONJSA-N -1 3 298.390 3.407 20 0 CGADHM Cc1ccc(-c2noc([N-]Cc3ncccc3C)n2)cc1 ZINC000302069907 201330869 /nfs/dbraw/zinc/33/08/69/201330869.db2.gz UCUBGDDGJHJIHG-UHFFFAOYSA-N -1 3 280.331 3.361 20 0 CGADHM CC(C)c1scnc1C(=O)Nc1cccc([O-])c1F ZINC000336350512 213198827 /nfs/dbraw/zinc/19/88/27/213198827.db2.gz QKWUPKPUBFSETC-UHFFFAOYSA-N -1 3 280.324 3.364 20 0 CGADHM COCCCn1c(=O)[n-]nc1SCCC1=CCCCC1 ZINC000450710482 240042572 /nfs/dbraw/zinc/04/25/72/240042572.db2.gz UFSQKVFOUYKGIJ-UHFFFAOYSA-N -1 3 297.424 3.003 20 0 CGADHM C[C@@H](F)CC[N-]S(=O)(=O)c1ccc2ccccc2c1F ZINC000451578659 240332142 /nfs/dbraw/zinc/33/21/42/240332142.db2.gz DBLUXTMZDHYFFY-SNVBAGLBSA-N -1 3 299.342 3.005 20 0 CGADHM Cc1ccc([O-])c(CNc2ccc3ncsc3c2)n1 ZINC000120696408 370792138 /nfs/dbraw/zinc/79/21/38/370792138.db2.gz HUUUJEPJXJSVFL-UHFFFAOYSA-N -1 3 271.345 3.317 20 0 CGADHM CCC1(NC(=O)Cc2ccc([O-])c(F)c2)CCCCC1 ZINC000456212451 241379588 /nfs/dbraw/zinc/37/95/88/241379588.db2.gz HBAHUCRIDCMQOK-UHFFFAOYSA-N -1 3 279.355 3.303 20 0 CGADHM Cc1cccc(C(=O)N2C[C@H](C(C)C)[C@H]2C(C)C)c1[O-] ZINC000456292103 241393810 /nfs/dbraw/zinc/39/38/10/241393810.db2.gz OMRUWYKSAYAAAM-HUUCEWRRSA-N -1 3 275.392 3.453 20 0 CGADHM CC(C)(Oc1ccc(F)cc1)C(=O)Nc1ccccc1[O-] ZINC000121191015 370837481 /nfs/dbraw/zinc/83/74/81/370837481.db2.gz WUAWXTWAURTLOX-UHFFFAOYSA-N -1 3 289.306 3.327 20 0 CGADHM CCc1noc(C)c1[N-]C(=O)c1csc(CC(C)C)n1 ZINC000120985613 370820810 /nfs/dbraw/zinc/82/08/10/370820810.db2.gz UYACEGTUDOIIDZ-UHFFFAOYSA-N -1 3 293.392 3.453 20 0 CGADHM CC(C)[C@@H]1N(C(=O)c2ccccc2[O-])CC12CCCC2 ZINC000457161906 241563314 /nfs/dbraw/zinc/56/33/14/241563314.db2.gz JJIOMEVKURGODS-HNNXBMFYSA-N -1 3 273.376 3.433 20 0 CGADHM CCCn1nc(C)c(C(=O)Nc2ccc(C)cc2[O-])c1C ZINC000121326568 370852204 /nfs/dbraw/zinc/85/22/04/370852204.db2.gz NRZDPOYTYRFWAV-UHFFFAOYSA-N -1 3 287.363 3.176 20 0 CGADHM COc1ccc([C@@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC000121363391 370854114 /nfs/dbraw/zinc/85/41/14/370854114.db2.gz LUMHGGXXQPAKHK-INIZCTEOSA-N -1 3 297.354 3.378 20 0 CGADHM C[C@H]1CCCC[C@]1(C)NC(=O)NCc1ccc([O-])c(F)c1 ZINC000458406984 241897449 /nfs/dbraw/zinc/89/74/49/241897449.db2.gz FVMRJSRJLVVHML-ZBEGNZNMSA-N -1 3 294.370 3.299 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)[C@H]2[C@H](C)C2(F)F)c1[O-] ZINC000461456025 242306280 /nfs/dbraw/zinc/30/62/80/242306280.db2.gz NAFBZVHMANAOME-IMTBSYHQSA-N -1 3 275.682 3.194 20 0 CGADHM CCc1cc(C(=O)NC2(Cc3ccccc3)CC2)ccc1[O-] ZINC000487072756 243397360 /nfs/dbraw/zinc/39/73/60/243397360.db2.gz XEJLHDRBLCOYKJ-UHFFFAOYSA-N -1 3 295.382 3.460 20 0 CGADHM CCCC[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000016090544 368707935 /nfs/dbraw/zinc/70/79/35/368707935.db2.gz ULOTUKXPXLMVDC-UHFFFAOYSA-N -1 3 282.192 3.072 20 0 CGADHM COc1cccc(C(=O)Nc2ccc(C)c(F)c2)c1[O-] ZINC000019839983 368771648 /nfs/dbraw/zinc/77/16/48/368771648.db2.gz YUNOSCKHVWXEAZ-UHFFFAOYSA-N -1 3 275.279 3.101 20 0 CGADHM CC(C)[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000023994009 368826290 /nfs/dbraw/zinc/82/62/90/368826290.db2.gz XYFKWUHWRBAZBZ-MRVPVSSYSA-N -1 3 296.219 3.316 20 0 CGADHM Cc1ccc(/C=C/C(=O)Nc2ccc(C)cc2[O-])nc1 ZINC000492502869 243966924 /nfs/dbraw/zinc/96/69/24/243966924.db2.gz PIVVYJMBFPWJDY-SOFGYWHQSA-N -1 3 268.316 3.056 20 0 CGADHM Cc1ccc([C@H](C)N(C)C(=O)/C=C\c2cncc([O-])c2)cc1 ZINC000493261848 244129780 /nfs/dbraw/zinc/12/97/80/244129780.db2.gz DAYBEEURZIWDNN-PIZKADEWSA-N -1 3 296.370 3.328 20 0 CGADHM O=C(/C=C/c1ccc2ccccc2n1)[N-]OCCC1CC1 ZINC000493236968 244122216 /nfs/dbraw/zinc/12/22/16/244122216.db2.gz IEHYRPSZGVISRR-MDZDMXLPSA-N -1 3 282.343 3.096 20 0 CGADHM CC=C(C=CC(=O)Nc1cccc(C(C)=O)c1[O-])CC ZINC000493485741 244172529 /nfs/dbraw/zinc/17/25/29/244172529.db2.gz KSVLVZTWSGAFIR-MMQHMWHNSA-N -1 3 273.332 3.446 20 0 CGADHM Cc1cccc(C(=O)N(C)[C@@H]2CCC[C@H](C)C2)c1[O-] ZINC000042355354 369215706 /nfs/dbraw/zinc/21/57/06/369215706.db2.gz LXDPVWKMTABSAV-WCQYABFASA-N -1 3 261.365 3.351 20 0 CGADHM O=C(/C=C\c1cccc(Br)c1)[N-]OC1CCC1 ZINC000493773531 244229674 /nfs/dbraw/zinc/22/96/74/244229674.db2.gz XFBPTJZZLLYQHM-FPLPWBNLSA-N -1 3 296.164 3.063 20 0 CGADHM C[C@@H]1C[C@H]1CNC(=O)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000495010024 244344825 /nfs/dbraw/zinc/34/48/25/244344825.db2.gz VUCPSHCEULRXLC-SFYZADRCSA-N -1 3 295.795 3.177 20 0 CGADHM Cc1ccc(CN(C)C(=O)c2ccc(C)c(C)c2[O-])o1 ZINC000048370339 369345452 /nfs/dbraw/zinc/34/54/52/369345452.db2.gz PXQDOFDKTJYNFW-UHFFFAOYSA-N -1 3 273.332 3.183 20 0 CGADHM CCSCc1ccc(C(=O)Nc2ncccc2[O-])cc1 ZINC000048643974 369363303 /nfs/dbraw/zinc/36/33/03/369363303.db2.gz HWFFNFCAVHNSPP-UHFFFAOYSA-N -1 3 288.372 3.293 20 0 CGADHM CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc([O-])c(OC)c1 ZINC000276238233 193253169 /nfs/dbraw/zinc/25/31/69/193253169.db2.gz UFLUILRNQSFWFK-YPMHNXCESA-N -1 3 277.364 3.099 20 0 CGADHM O=C(Nc1ncccc1[O-])c1cc2c(s1)CCCCC2 ZINC000069741689 369770003 /nfs/dbraw/zinc/77/00/03/369770003.db2.gz XSKXVOAOVNGFLS-UHFFFAOYSA-N -1 3 288.372 3.370 20 0 CGADHM O=C([N-]c1nnc(C(F)F)s1)c1cccc(F)c1F ZINC000102241119 370301283 /nfs/dbraw/zinc/30/12/83/370301283.db2.gz YWGCWOSFZHBUCP-UHFFFAOYSA-N -1 3 291.229 3.006 20 0 CGADHM CC(C)(C)[C@@H]1CCN(Cc2cccc([O-])c2Cl)C[C@@H]1O ZINC000511971043 245012090 /nfs/dbraw/zinc/01/20/90/245012090.db2.gz FRUQLCQZJWORPN-OCCSQVGLSA-N -1 3 297.826 3.275 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CCc3cc(F)ccc32)c1 ZINC000512436446 245036365 /nfs/dbraw/zinc/03/63/65/245036365.db2.gz PFURPPORRVSCEA-UHFFFAOYSA-N -1 3 271.291 3.043 20 0 CGADHM CCOc1cc(C(=O)Nc2ccccc2[O-])ccc1C ZINC000113414259 370472809 /nfs/dbraw/zinc/47/28/09/370472809.db2.gz LYIWIFBAYCMDMO-UHFFFAOYSA-N -1 3 271.316 3.352 20 0 CGADHM CC(C)c1ccc(SCCCOC([O-])=NC(N)=O)cc1 ZINC000114097775 370491404 /nfs/dbraw/zinc/49/14/04/370491404.db2.gz WCDAOCSMXAWKQS-UHFFFAOYSA-N -1 3 296.392 3.097 20 0 CGADHM CC(C)c1ccc(SCCCOC(=O)N=C(N)[O-])cc1 ZINC000114097775 370491410 /nfs/dbraw/zinc/49/14/10/370491410.db2.gz WCDAOCSMXAWKQS-UHFFFAOYSA-N -1 3 296.392 3.097 20 0 CGADHM CC(C)c1ccc(SCCCOC(=O)[N-]C(N)=O)cc1 ZINC000114097775 370491412 /nfs/dbraw/zinc/49/14/12/370491412.db2.gz WCDAOCSMXAWKQS-UHFFFAOYSA-N -1 3 296.392 3.097 20 0 CGADHM CC(C)(C)[C@H]1CCCN(C(=O)c2ccc(O)cc2[O-])CC1 ZINC000116090846 370548159 /nfs/dbraw/zinc/54/81/59/370548159.db2.gz GUMAQZKCLWRUFT-LBPRGKRZSA-N -1 3 291.391 3.386 20 0 CGADHM O=C([O-])CCCN1CCC[C@@H]1c1cccc(Cl)c1 ZINC000116359357 370558537 /nfs/dbraw/zinc/55/85/37/370558537.db2.gz OLSLUGNOMPHMFX-CYBMUJFWSA-N -1 3 267.756 3.342 20 0 CGADHM CN(C(=O)Cc1ccc([O-])cc1Cl)C1CCCCC1 ZINC000136049596 371458553 /nfs/dbraw/zinc/45/85/53/371458553.db2.gz VJMWHDBQFCHSRB-UHFFFAOYSA-N -1 3 281.783 3.379 20 0 CGADHM CC1CCC(NC(=O)Cc2ccc([O-])cc2Cl)CC1 ZINC000136066712 371460131 /nfs/dbraw/zinc/46/01/31/371460131.db2.gz OTPSMVXABCXKPO-UHFFFAOYSA-N -1 3 281.783 3.283 20 0 CGADHM CCCCc1ccc(NC(=O)[N-]OCCCOC)cc1 ZINC000286908187 371571040 /nfs/dbraw/zinc/57/10/40/371571040.db2.gz KATUJHDZGJKBCZ-UHFFFAOYSA-N -1 3 280.368 3.119 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2occc2C(C)C)n1 ZINC000286999059 371588115 /nfs/dbraw/zinc/58/81/15/371588115.db2.gz IOAZHRSKXWLVIF-UHFFFAOYSA-N -1 3 260.293 3.064 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)Sc2ccc(Cl)cn2)n1 ZINC000151450319 371602568 /nfs/dbraw/zinc/60/25/68/371602568.db2.gz IDAMOGYGVDQTBR-MRVPVSSYSA-N -1 3 281.768 3.392 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)N1CC[C@H](C2CCCC2)C1 ZINC000421948858 371712255 /nfs/dbraw/zinc/71/22/55/371712255.db2.gz LSWNKPVMMVHHKD-AWEZNQCLSA-N -1 3 291.366 3.113 20 0 CGADHM CC[C@H](c1ccc(F)cc1F)N(C)C[C@H](C)C(=O)[O-] ZINC000422599364 371751751 /nfs/dbraw/zinc/75/17/51/371751751.db2.gz YKABPBIZYSIPTE-TVQRCGJNSA-N -1 3 271.307 3.068 20 0 CGADHM C[C@@H]1CC[C@@H](C(=O)[O-])CN1CCc1ccc(F)cc1Cl ZINC000422638452 371755365 /nfs/dbraw/zinc/75/53/65/371755365.db2.gz UECKBENQXHUJJB-ZYHUDNBSSA-N -1 3 299.773 3.207 20 0 CGADHM C[C@@H]1CCC[C@@H]1CNCc1c(F)ccc([O-])c1F ZINC000353331093 220031473 /nfs/dbraw/zinc/03/14/73/220031473.db2.gz MWGQGQCNMSJBHT-NXEZZACHSA-N -1 3 255.308 3.196 20 0 CGADHM COc1cccc(CC(=O)Nc2ccc(Cl)cc2[O-])c1 ZINC000153581208 371777444 /nfs/dbraw/zinc/77/74/44/371777444.db2.gz YSJNDKVFNDTWON-UHFFFAOYSA-N -1 3 291.734 3.235 20 0 CGADHM Cc1ccc(C(=O)N2CC[C@@H](C)[C@H](C)C2)c([O-])c1C ZINC000153732849 371783918 /nfs/dbraw/zinc/78/39/18/371783918.db2.gz UUFNEPLCOOGXES-ZYHUDNBSSA-N -1 3 261.365 3.127 20 0 CGADHM Cc1ccc(CCC(=O)NCc2ccc([O-])c(F)c2)s1 ZINC000290104272 371905747 /nfs/dbraw/zinc/90/57/47/371905747.db2.gz QRNGYHRJNBSGBM-UHFFFAOYSA-N -1 3 293.363 3.150 20 0 CGADHM CCN1C(=O)c2ccccc2N[C@H]1c1ccc([O-])c(F)c1 ZINC000159034861 372100618 /nfs/dbraw/zinc/10/06/18/372100618.db2.gz UOYSPTXNVSMZHB-OAHLLOKOSA-N -1 3 286.306 3.118 20 0 CGADHM CC(C)(C)Oc1ccc(NC(=O)[N-]OCC2CC2)cc1 ZINC000293300260 372348677 /nfs/dbraw/zinc/34/86/77/372348677.db2.gz KSUANDPXAJUBHD-UHFFFAOYSA-N -1 3 278.352 3.327 20 0 CGADHM O=C(CCc1ccc(F)cc1F)Nc1cc(F)ccc1[O-] ZINC000162379436 372391608 /nfs/dbraw/zinc/39/16/08/372391608.db2.gz JSWJMXCWBSPEGB-UHFFFAOYSA-N -1 3 295.260 3.381 20 0 CGADHM COC(=O)c1cc(C(=O)Nc2cccc(C(C)C)c2)c[n-]1 ZINC000430885114 372402489 /nfs/dbraw/zinc/40/24/89/372402489.db2.gz JZBHQYRPYFVJBI-UHFFFAOYSA-N -1 3 286.331 3.177 20 0 CGADHM CCCc1nc(C)c(C(=O)Nc2cc(F)ccc2[O-])o1 ZINC000293526121 372402781 /nfs/dbraw/zinc/40/27/81/372402781.db2.gz RPYVATUUZHYUPZ-UHFFFAOYSA-N -1 3 278.283 3.033 20 0 CGADHM O=C(CCC1CCCCC1)Nc1nnc(-c2ccccn2)[n-]1 ZINC000047343165 541874238 /nfs/dbraw/zinc/87/42/38/541874238.db2.gz GVUDSOQMBWFDRP-UHFFFAOYSA-N -1 3 299.378 3.166 20 0 CGADHM O=C(CCC1CCCCC1)Nc1nc(-c2ccccn2)n[n-]1 ZINC000047343165 541874242 /nfs/dbraw/zinc/87/42/42/541874242.db2.gz GVUDSOQMBWFDRP-UHFFFAOYSA-N -1 3 299.378 3.166 20 0 CGADHM O=C(CCC1CCCCC1)Nc1n[n-]c(-c2ccccn2)n1 ZINC000047343165 541874245 /nfs/dbraw/zinc/87/42/45/541874245.db2.gz GVUDSOQMBWFDRP-UHFFFAOYSA-N -1 3 299.378 3.166 20 0 CGADHM O=C(CCCCCc1cccs1)[N-]OCC1CC1 ZINC000293776271 372478920 /nfs/dbraw/zinc/47/89/20/372478920.db2.gz NISRBGXJAXEFKW-UHFFFAOYSA-N -1 3 267.394 3.309 20 0 CGADHM CN(Cc1cccc([O-])c1Cl)C[C@@H]1CCCC[C@@H]1O ZINC000293640245 372432963 /nfs/dbraw/zinc/43/29/63/372432963.db2.gz NVGCMPGBAZLRJJ-AAEUAGOBSA-N -1 3 283.799 3.029 20 0 CGADHM CCc1cc(=O)[n-]c(CN(C)CCCCc2ccccc2)n1 ZINC000344374172 217173758 /nfs/dbraw/zinc/17/37/58/217173758.db2.gz KOZGESHSOXZXLK-UHFFFAOYSA-N -1 3 299.418 3.199 20 0 CGADHM Cc1nccn1CCCN(C)Cc1cccc([O-])c1Cl ZINC000294005088 372551886 /nfs/dbraw/zinc/55/18/86/372551886.db2.gz SZMDPENJVWAKLV-UHFFFAOYSA-N -1 3 293.798 3.073 20 0 CGADHM Cc1cc(C(=O)Nc2cc(Cl)ccc2[O-])ccn1 ZINC000170234204 372636586 /nfs/dbraw/zinc/63/65/86/372636586.db2.gz RSAHRAHFSZLSLX-UHFFFAOYSA-N -1 3 262.696 3.001 20 0 CGADHM CCc1cc(=O)[n-]c(CN[C@H](C)c2cccc(C3CC3)c2)n1 ZINC000295449140 372785782 /nfs/dbraw/zinc/78/57/82/372785782.db2.gz PHDKFIOXXDUSEH-GFCCVEGCSA-N -1 3 297.402 3.473 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])C1(C(F)(F)F)CCC1 ZINC000295446174 372786273 /nfs/dbraw/zinc/78/62/73/372786273.db2.gz XNRWIMDDPCKOLP-UHFFFAOYSA-N -1 3 277.217 3.202 20 0 CGADHM C[C@@H]1CC[C@H](C)N1C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436590341 372838048 /nfs/dbraw/zinc/83/80/48/372838048.db2.gz SQNAXGXXUYBKLG-TXEJJXNPSA-N -1 3 273.376 3.284 20 0 CGADHM COc1cccc2c1CCCN2C(=O)c1ccc(C)cc1[O-] ZINC000436992041 372842439 /nfs/dbraw/zinc/84/24/39/372842439.db2.gz SWJQNUXQPPDIHY-UHFFFAOYSA-N -1 3 297.354 3.302 20 0 CGADHM Cc1ccc(C(=O)N2CC3(CCC3)C[C@H]2C)c([O-])c1C ZINC000436953870 372842619 /nfs/dbraw/zinc/84/26/19/372842619.db2.gz CKZPJYPARKYBEN-GFCCVEGCSA-N -1 3 273.376 3.414 20 0 CGADHM CCCCOc1ccc(C(=O)N2CCC=C(C)C2)c([O-])c1 ZINC000438028312 372864167 /nfs/dbraw/zinc/86/41/67/372864167.db2.gz NOYKASSIPPWMCI-UHFFFAOYSA-N -1 3 289.375 3.363 20 0 CGADHM COc1cccc(C(=O)N2CCCCC(C)(C)C2)c1[O-] ZINC000438489266 372964122 /nfs/dbraw/zinc/96/41/22/372964122.db2.gz MVWUMPHLLIDBIU-UHFFFAOYSA-N -1 3 277.364 3.053 20 0 CGADHM COC1(CNCc2cccc([O-])c2Cl)CCCC1 ZINC000296035795 373001623 /nfs/dbraw/zinc/00/16/23/373001623.db2.gz NPXXXQVQBORQQD-UHFFFAOYSA-N -1 3 269.772 3.094 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-]CC[C@@H](C)CC(C)(C)C)o1 ZINC000442763908 373075803 /nfs/dbraw/zinc/07/58/03/373075803.db2.gz HECGQWVOXDDNSH-LLVKDONJSA-N -1 3 287.425 3.329 20 0 CGADHM Cc1ccc(CS(=O)(=O)c2cccc([O-])c2)c(Cl)c1 ZINC000447380632 373431292 /nfs/dbraw/zinc/43/12/92/373431292.db2.gz KPYXANDXRQOJQG-UHFFFAOYSA-N -1 3 296.775 3.328 20 0 CGADHM Cc1ccc([O-])c(NC(=O)C/C=C/c2cccc(F)c2)n1 ZINC000447636297 373467416 /nfs/dbraw/zinc/46/74/16/373467416.db2.gz HOYAMGUKSJIGPI-HWKANZROSA-N -1 3 286.306 3.277 20 0 CGADHM CCSCC[C@H](C)N(C)C(=O)c1cc(OC)ccc1[O-] ZINC000175463127 373470964 /nfs/dbraw/zinc/47/09/64/373470964.db2.gz FHYGEBREDBKFJW-NSHDSACASA-N -1 3 297.420 3.005 20 0 CGADHM O=C([N-]c1cc(-c2ccccc2)on1)c1ccncc1F ZINC000175868298 373531286 /nfs/dbraw/zinc/53/12/86/373531286.db2.gz NQELEGNMFRBEIG-UHFFFAOYSA-N -1 3 283.262 3.128 20 0 CGADHM CCN(CC(C)C)C(=O)Cc1ccc([O-])cc1Cl ZINC000178480376 373785145 /nfs/dbraw/zinc/78/51/45/373785145.db2.gz VZIQMQDAVKBCHC-UHFFFAOYSA-N -1 3 269.772 3.093 20 0 CGADHM O=C(/C=C/c1cncc([O-])c1)N1CCC[C@]2(CC=CCC2)C1 ZINC000179499549 373881079 /nfs/dbraw/zinc/88/10/79/373881079.db2.gz QWSIYLJEMKKCCH-DUMMIQTOSA-N -1 3 298.386 3.149 20 0 CGADHM Cc1cccc([O-])c1NC(=O)Cc1c[nH]c2ccccc12 ZINC000179551372 373886167 /nfs/dbraw/zinc/88/61/67/373886167.db2.gz CSHGWSANOKUKMU-UHFFFAOYSA-N -1 3 280.327 3.363 20 0 CGADHM Cc1cccc2c1OCC[C@H]2[N-]c1nc(C(C)C)no1 ZINC000302644170 373913439 /nfs/dbraw/zinc/91/34/39/373913439.db2.gz FKUKIVJLCQZBGB-GFCCVEGCSA-N -1 3 273.336 3.437 20 0 CGADHM CCOc1nc2cc(C(=O)N(C)[C@@H](C)C(C)C)ccc2[n-]1 ZINC000449801628 373931279 /nfs/dbraw/zinc/93/12/79/373931279.db2.gz IGZAMIZMVNSJDO-NSHDSACASA-N -1 3 289.379 3.078 20 0 CGADHM CCOc1nc2ccc(C(=O)N(C)[C@@H](C)C(C)C)cc2[n-]1 ZINC000449801628 373931285 /nfs/dbraw/zinc/93/12/85/373931285.db2.gz IGZAMIZMVNSJDO-NSHDSACASA-N -1 3 289.379 3.078 20 0 CGADHM COc1cccc(C(=O)N[C@H](c2ccccc2)C2CC2)c1[O-] ZINC000302994430 374007922 /nfs/dbraw/zinc/00/79/22/374007922.db2.gz WVFUPUOQKXCSLA-MRXNPFEDSA-N -1 3 297.354 3.282 20 0 CGADHM O=C(N[C@@H]1CCCOc2ccccc21)c1cccc([O-])c1 ZINC000182278364 374250320 /nfs/dbraw/zinc/25/03/20/374250320.db2.gz AUQRDVXZYHKPAJ-OAHLLOKOSA-N -1 3 283.327 3.036 20 0 CGADHM O=C(N[C@H](c1ccccc1)[C@@H]1CCCO1)c1cccc([O-])c1 ZINC000182293801 374252869 /nfs/dbraw/zinc/25/28/69/374252869.db2.gz LCLPVIDCKSLDOR-DLBZAZTESA-N -1 3 297.354 3.042 20 0 CGADHM CC1(C)CCC[C@H]1CNC(=O)Cc1ccc([O-])c(F)c1 ZINC000452153918 374254648 /nfs/dbraw/zinc/25/46/48/374254648.db2.gz HCKQSWRQUQTFFH-LBPRGKRZSA-N -1 3 279.355 3.016 20 0 CGADHM C[C@]1(F)CCCN(C(=O)c2cc3c(cc2[O-])CCCC3)C1 ZINC000452193576 374271725 /nfs/dbraw/zinc/27/17/25/374271725.db2.gz JGXDJJOCILHZAV-KRWDZBQOSA-N -1 3 291.366 3.235 20 0 CGADHM CCN(C(=O)c1cccc([O-])c1)[C@H](C)c1cccnc1 ZINC000182453895 374275059 /nfs/dbraw/zinc/27/50/59/374275059.db2.gz QNBZMIODFZCDLE-GFCCVEGCSA-N -1 3 270.332 3.011 20 0 CGADHM O=C([N-][C@@H](C1CC1)C(F)(F)F)C1(C(F)(F)F)CCC1 ZINC000452118225 374240057 /nfs/dbraw/zinc/24/00/57/374240057.db2.gz FMQPLBVGOWDWDH-ZETCQYMHSA-N -1 3 289.219 3.176 20 0 CGADHM CC[C@H](C)C(=O)Nc1ccc(Br)cc1[O-] ZINC000078829102 541918480 /nfs/dbraw/zinc/91/84/80/541918480.db2.gz LDCVGVRRHGLEMN-ZETCQYMHSA-N -1 3 272.142 3.139 20 0 CGADHM Cc1ccc([O-])c(CNc2cc(-c3nnco3)ccc2C)n1 ZINC000316677138 374336590 /nfs/dbraw/zinc/33/65/90/374336590.db2.gz FBQHQFFFULZQFQ-UHFFFAOYSA-N -1 3 296.330 3.066 20 0 CGADHM CCc1cc(=O)[n-]c(CNC2(c3ccccc3)CCCC2)n1 ZINC000183538893 374423988 /nfs/dbraw/zinc/42/39/88/374423988.db2.gz BCBLRHBDHBZJKM-UHFFFAOYSA-N -1 3 297.402 3.304 20 0 CGADHM COC(=O)c1coc(C(=O)[N-]c2cc(Cl)ccc2F)c1 ZINC000183792706 374456989 /nfs/dbraw/zinc/45/69/89/374456989.db2.gz DZDRRGGDVDBHFM-UHFFFAOYSA-N -1 3 297.669 3.111 20 0 CGADHM O=[S@](Cc1csc(C2CC2)n1)c1cccc([O-])c1 ZINC000184031808 374484268 /nfs/dbraw/zinc/48/42/68/374484268.db2.gz FWEHBIYJHVLTAD-GOSISDBHSA-N -1 3 279.386 3.034 20 0 CGADHM COCc1ccccc1NCc1cc([O-])cc(F)c1 ZINC000184136303 374496577 /nfs/dbraw/zinc/49/65/77/374496577.db2.gz SBRTUYFBNNVPNA-UHFFFAOYSA-N -1 3 261.296 3.290 20 0 CGADHM O=C(NCc1ccc([O-])c(F)c1)c1cc(F)ccc1Cl ZINC000334190935 206171033 /nfs/dbraw/zinc/17/10/33/206171033.db2.gz HJYVDRKXCPTTLR-UHFFFAOYSA-N -1 3 297.688 3.254 20 0 CGADHM CC[C@H](NC(=O)Cc1ccc([O-])c(F)c1)C1CCCC1 ZINC000456661448 374595178 /nfs/dbraw/zinc/59/51/78/374595178.db2.gz OLOKNBVVXFPYSL-AWEZNQCLSA-N -1 3 279.355 3.159 20 0 CGADHM CC(C)[C@H]1CCC[C@H](NC(=O)c2csc(=O)[n-]2)CC1 ZINC000332934310 374596693 /nfs/dbraw/zinc/59/66/93/374596693.db2.gz KVOKIWWAAVJLHA-QWRGUYRKSA-N -1 3 282.409 3.183 20 0 CGADHM CCc1onc(C)c1C(=O)[N-]c1cc(-c2ccccc2)on1 ZINC000185607886 374697446 /nfs/dbraw/zinc/69/74/46/374697446.db2.gz SBVKCNDDYGOTIB-UHFFFAOYSA-N -1 3 297.314 3.453 20 0 CGADHM [O-]c1cccc(CN2CCC[C@@H](n3cccn3)C2)c1Cl ZINC000334452115 374762171 /nfs/dbraw/zinc/76/21/71/374762171.db2.gz XOWMYDPEFJGIFF-CYBMUJFWSA-N -1 3 291.782 3.079 20 0 CGADHM Cc1coc2ccc(NC(=O)c3ccc4n[n-]nc4c3)cc12 ZINC000185800248 374738359 /nfs/dbraw/zinc/73/83/59/374738359.db2.gz NCZGVFHHPJVMBV-UHFFFAOYSA-N -1 3 292.298 3.265 20 0 CGADHM CCc1cnc(CN(C)Cc2cc([O-])cc(F)c2)s1 ZINC000186252874 374820061 /nfs/dbraw/zinc/82/00/61/374820061.db2.gz CSLNWHDUIQNGKJ-UHFFFAOYSA-N -1 3 280.368 3.182 20 0 CGADHM C[C@@H]1C(=O)CC[C@@H](C(=O)Nc2cccc([O-])c2F)C1(C)C ZINC000334583409 374883229 /nfs/dbraw/zinc/88/32/29/374883229.db2.gz RLRFWHVTAOHLSL-ZJUUUORDSA-N -1 3 293.338 3.111 20 0 CGADHM C[C@H]1CCC[C@@H](CCSc2nc3nncc-3c(O)[n-]2)C1 ZINC000464772212 374897970 /nfs/dbraw/zinc/89/79/70/374897970.db2.gz GOKKFODIXBCNGJ-UWVGGRQHSA-N -1 3 292.408 3.367 20 0 CGADHM COc1ccc([O-])c(C(=O)Nc2ccsc2Cl)c1 ZINC000186938575 374941051 /nfs/dbraw/zinc/94/10/51/374941051.db2.gz JBPBMUMFVRXXJP-UHFFFAOYSA-N -1 3 283.736 3.368 20 0 CGADHM CCCC[C@@H]([N-]S(=O)(=O)c1cccs1)C1CCC1 ZINC000465499370 374954195 /nfs/dbraw/zinc/95/41/95/374954195.db2.gz DJNOAQSKOZPVCJ-GFCCVEGCSA-N -1 3 287.450 3.385 20 0 CGADHM O=C(c1csc(=O)[n-]1)N1CCC[C@H]1C1CCCCC1 ZINC000334614898 374907126 /nfs/dbraw/zinc/90/71/26/374907126.db2.gz YSRSCDMXHDVMKT-LBPRGKRZSA-N -1 3 280.393 3.034 20 0 CGADHM Cc1cc(C(=O)Nc2scnc2C2CC2)ccc1[O-] ZINC000334736947 375019724 /nfs/dbraw/zinc/01/97/24/375019724.db2.gz IFHFICPPSMBMHX-UHFFFAOYSA-N -1 3 274.345 3.287 20 0 CGADHM CC(C)(C)c1ccc(S(=O)(=O)[N-]C(C)(C)CF)s1 ZINC000472950684 375038167 /nfs/dbraw/zinc/03/81/67/375038167.db2.gz JFPUSIPWVYQZHP-UHFFFAOYSA-N -1 3 293.429 3.072 20 0 CGADHM COC(=O)c1cnc(SCc2ccc(Cl)cc2)[n-]1 ZINC000187596237 375052368 /nfs/dbraw/zinc/05/23/68/375052368.db2.gz NNQOOEBCONJNDZ-UHFFFAOYSA-N -1 3 282.752 3.142 20 0 CGADHM CCC[C@@H](CC1CCCC1)C(=O)NCc1ncccc1[O-] ZINC000473643955 375057162 /nfs/dbraw/zinc/05/71/62/375057162.db2.gz PRBJCXNRJDRWDB-AWEZNQCLSA-N -1 3 290.407 3.400 20 0 CGADHM CCc1ccccc1S(=O)(=O)[N-]c1cccc(C)c1F ZINC000187623201 375059920 /nfs/dbraw/zinc/05/99/20/375059920.db2.gz HEJRKIZFYDPNKR-UHFFFAOYSA-N -1 3 293.363 3.497 20 0 CGADHM Cc1cc(S(=O)(=O)[N-][C@H](C)CC2CC2)sc1Cl ZINC000473857641 375063294 /nfs/dbraw/zinc/06/32/94/375063294.db2.gz SYHOBJKTQTUGTN-MRVPVSSYSA-N -1 3 293.841 3.177 20 0 CGADHM C[C@@H](CC(=O)N1CC[C@H](C)c2cccc([O-])c21)n1cccn1 ZINC000335107405 375136227 /nfs/dbraw/zinc/13/62/27/375136227.db2.gz DWIBNMGNYFHISP-STQMWFEESA-N -1 3 299.374 3.080 20 0 CGADHM CCc1cc(C(=O)N[C@@H](C)CC(F)(F)F)ccc1[O-] ZINC000487132663 375201327 /nfs/dbraw/zinc/20/13/27/375201327.db2.gz IVYVLLTYPULJNA-QMMMGPOBSA-N -1 3 275.270 3.025 20 0 CGADHM C[C@H](NC(=O)c1cccc([O-])c1)c1ccc2ncsc2c1 ZINC000487320715 375229114 /nfs/dbraw/zinc/22/91/14/375229114.db2.gz QJGVAKOPJKYOGR-JTQLQIEISA-N -1 3 298.367 3.493 20 0 CGADHM CCc1ccc(C(=O)N2CC[C@H](C)[C@@H](C)C2)c([O-])c1 ZINC000188910359 375289765 /nfs/dbraw/zinc/28/97/65/375289765.db2.gz DNNDLWBZOXGMTF-RYUDHWBXSA-N -1 3 261.365 3.073 20 0 CGADHM CCc1ccc(C(=O)Nc2c(C)cccc2O)c([O-])c1 ZINC000188969104 375302805 /nfs/dbraw/zinc/30/28/05/375302805.db2.gz HVLXKPPYNXZOSD-UHFFFAOYSA-N -1 3 271.316 3.221 20 0 CGADHM CCO[N-]C(=O)Nc1cccnc1-c1csc(C)c1 ZINC000189174629 375337266 /nfs/dbraw/zinc/33/72/66/375337266.db2.gz BERZQWFUWXYUEZ-UHFFFAOYSA-N -1 3 277.349 3.192 20 0 CGADHM CC(C)(C)c1nc(C[N-]c2nnc(C(F)F)o2)cs1 ZINC000189290220 375357674 /nfs/dbraw/zinc/35/76/74/375357674.db2.gz UEWXCHWBVBULIY-UHFFFAOYSA-N -1 3 288.323 3.373 20 0 CGADHM Cc1cc[nH]c1C(=O)Nc1cc(Br)ccc1[O-] ZINC000335709896 375366580 /nfs/dbraw/zinc/36/65/80/375366580.db2.gz CVOPPCIBXHAHPI-UHFFFAOYSA-N -1 3 295.136 3.044 20 0 CGADHM CCCCOc1ccc(C(=O)N(C)CCSC)c([O-])c1 ZINC000190616084 375525730 /nfs/dbraw/zinc/52/57/30/375525730.db2.gz XBLKAHATWZWPEY-UHFFFAOYSA-N -1 3 297.420 3.006 20 0 CGADHM CC(C)=CCNC(=O)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000191845174 375668685 /nfs/dbraw/zinc/66/86/85/375668685.db2.gz WONCZNRFGZCTRN-UHFFFAOYSA-N -1 3 295.795 3.488 20 0 CGADHM CC(C)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccccc2F)C1 ZINC000507538409 375713297 /nfs/dbraw/zinc/71/32/97/375713297.db2.gz WCCFZVFUUKSGKZ-QWHCGFSZSA-N -1 3 299.411 3.319 20 0 CGADHM CCO[N-]C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000192469923 375753689 /nfs/dbraw/zinc/75/36/89/375753689.db2.gz GILJICNNCLQNDY-UHFFFAOYSA-N -1 3 299.168 3.011 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2cc3c(cc(F)cc3C)[nH]2)n1 ZINC000345995247 217773516 /nfs/dbraw/zinc/77/35/16/217773516.db2.gz SCYMSHFVOGOXIR-UHFFFAOYSA-N -1 3 299.305 3.277 20 0 CGADHM CC1CCC(N(C(=O)c2ccc(O)cc2[O-])C2CC2)CC1 ZINC000193249726 375848151 /nfs/dbraw/zinc/84/81/51/375848151.db2.gz JCDVXKLKGATFRK-UHFFFAOYSA-N -1 3 289.375 3.281 20 0 CGADHM COCc1ccc([C@H]2CCCN2[C@@H](CC(C)C)C(=O)[O-])o1 ZINC000520416640 375854874 /nfs/dbraw/zinc/85/48/74/375854874.db2.gz NMNVIPPCJBENFA-KGLIPLIRSA-N -1 3 295.379 3.062 20 0 CGADHM COc1cccc(Cl)c1CNCc1cc([O-])cc(F)c1 ZINC000336828101 375986258 /nfs/dbraw/zinc/98/62/58/375986258.db2.gz SVDAUYABBHRIQC-UHFFFAOYSA-N -1 3 295.741 3.483 20 0 CGADHM CCn1c2ccccc2nc1NC(=O)c1cccc(C)c1[O-] ZINC000216586875 376166433 /nfs/dbraw/zinc/16/64/33/376166433.db2.gz XFHDDBYPSATPAP-UHFFFAOYSA-N -1 3 295.342 3.323 20 0 CGADHM CCCC[C@H](CC)C[N-]S(=O)(=O)c1ccc(C)o1 ZINC000538004768 376217883 /nfs/dbraw/zinc/21/78/83/376217883.db2.gz PHHZFJUVPWZWII-LBPRGKRZSA-N -1 3 273.398 3.083 20 0 CGADHM Cc1cccc(C(=O)N(C2CC2)C2CCCC2)c1[O-] ZINC000538789502 376271165 /nfs/dbraw/zinc/27/11/65/376271165.db2.gz RJSVDOSNWAXBDA-UHFFFAOYSA-N -1 3 259.349 3.248 20 0 CGADHM Cc1ccc2c(CN[C@@H](C)c3ccon3)ccc([O-])c2n1 ZINC000338291789 376318805 /nfs/dbraw/zinc/31/88/05/376318805.db2.gz NLJHLWWCLHKPEL-NSHDSACASA-N -1 3 283.331 3.088 20 0 CGADHM CCc1cccc(C(=O)N2C[C@@H](C)Oc3ccccc32)c1[O-] ZINC000539843967 376341374 /nfs/dbraw/zinc/34/13/74/376341374.db2.gz MWOBJXRWIKOOOA-GFCCVEGCSA-N -1 3 297.354 3.382 20 0 CGADHM Cc1cc(C(=O)N(C)[C@@H]2CCCC[C@@H]2C)ccc1[O-] ZINC000226954095 376377106 /nfs/dbraw/zinc/37/71/06/376377106.db2.gz NZIOQOXAMLXLSE-SMDDNHRTSA-N -1 3 261.365 3.351 20 0 CGADHM Cc1cc(C(=O)NC2C[C@@H](C)C[C@H](C)C2)ccc1[O-] ZINC000227033115 376378828 /nfs/dbraw/zinc/37/88/28/376378828.db2.gz PZQMNIMAZCFXRL-QWRGUYRKSA-N -1 3 261.365 3.255 20 0 CGADHM Cc1cc(C(=O)NCCC2CCCCC2)ccc1[O-] ZINC000227018334 376379693 /nfs/dbraw/zinc/37/96/93/376379693.db2.gz JSBAJEJRPUATPA-UHFFFAOYSA-N -1 3 261.365 3.401 20 0 CGADHM C[C@@H]1C[C@@H](NCc2cccc([O-])c2Cl)C[C@H](C)O1 ZINC000334283962 206308907 /nfs/dbraw/zinc/30/89/07/206308907.db2.gz VRNYQZNNZJKIKE-PEGIJTEDSA-N -1 3 269.772 3.091 20 0 CGADHM CCc1cccc(C(=O)N2CC[C@@H](C(C)(C)C)C2)c1[O-] ZINC000542415772 376540878 /nfs/dbraw/zinc/54/08/78/376540878.db2.gz IEZPZHCGYMAYSQ-CYBMUJFWSA-N -1 3 275.392 3.463 20 0 CGADHM Cc1ccc(OCCNC(=O)c2ccc([O-])c(C)c2)c(C)c1 ZINC000542787576 376577145 /nfs/dbraw/zinc/57/71/45/376577145.db2.gz LWIWLIJDDIORHU-UHFFFAOYSA-N -1 3 299.370 3.126 20 0 CGADHM CCC(C)(C)CNC(=O)c1cc([O-])ccc1Cl ZINC000232834297 376590742 /nfs/dbraw/zinc/59/07/42/376590742.db2.gz KWHKPPVWCBNUQV-UHFFFAOYSA-N -1 3 255.745 3.212 20 0 CGADHM O=C(Nc1cccc(O)c1)c1cc([O-])ccc1Cl ZINC000236566771 376667717 /nfs/dbraw/zinc/66/77/17/376667717.db2.gz DYDCTXRIUMRNHG-UHFFFAOYSA-N -1 3 263.680 3.004 20 0 CGADHM C[C@H]1CN(C(=O)c2cc([O-])ccc2Cl)CC[C@@H]1C ZINC000235635543 376646243 /nfs/dbraw/zinc/64/62/43/376646243.db2.gz KHKVPFOVHVYHRW-UWVGGRQHSA-N -1 3 267.756 3.164 20 0 CGADHM Cc1nc(CN2CCC[C@H](C(C)(C)C(=O)[O-])C2)sc1C ZINC000135036759 542086646 /nfs/dbraw/zinc/08/66/46/542086646.db2.gz CWDKSJFHCFQZPD-LBPRGKRZSA-N -1 3 296.436 3.083 20 0 CGADHM COc1ccc(NC(=O)c2cc(C)ccc2F)c([O-])c1 ZINC000135421150 542087453 /nfs/dbraw/zinc/08/74/53/542087453.db2.gz LNQXBURKUROVCK-UHFFFAOYSA-N -1 3 275.279 3.101 20 0 CGADHM COc1ccc(NC(=O)c2cccc(C)c2F)c([O-])c1 ZINC000135432636 542087393 /nfs/dbraw/zinc/08/73/93/542087393.db2.gz XFBYXPPIWUFPEA-UHFFFAOYSA-N -1 3 275.279 3.101 20 0 CGADHM Fc1cc(-c2nnn[n-]2)ccc1SCCC(F)(F)F ZINC000737645078 572359958 /nfs/dbraw/zinc/35/99/58/572359958.db2.gz QESWAZBECNFGSG-UHFFFAOYSA-N -1 3 292.261 3.050 20 0 CGADHM Fc1cc(-c2nn[n-]n2)ccc1SCCC(F)(F)F ZINC000737645078 572359964 /nfs/dbraw/zinc/35/99/64/572359964.db2.gz QESWAZBECNFGSG-UHFFFAOYSA-N -1 3 292.261 3.050 20 0 CGADHM CCc1cccc(C(=O)N(C)C2CC(C)(C)C2)c1[O-] ZINC000556733968 376874783 /nfs/dbraw/zinc/87/47/83/376874783.db2.gz FNWRSBFSMBJDCV-UHFFFAOYSA-N -1 3 261.365 3.215 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2cnn(-c3ccccc3)c2)c1 ZINC000339980866 376888045 /nfs/dbraw/zinc/88/80/45/376888045.db2.gz ISZLBQAZKZGWJI-UHFFFAOYSA-N -1 3 293.326 3.139 20 0 CGADHM Cc1ccc(NC(=O)C[C@@H](C)c2cccnc2)c([O-])c1 ZINC000340038611 376896736 /nfs/dbraw/zinc/89/67/36/376896736.db2.gz ZAAOOTFSCFJTPV-GFCCVEGCSA-N -1 3 270.332 3.228 20 0 CGADHM CCc1cccc(C(=O)Nc2ccccc2CN(C)C)c1[O-] ZINC000556931445 376907071 /nfs/dbraw/zinc/90/70/71/376907071.db2.gz DKXHNGPYXCDKQS-UHFFFAOYSA-N -1 3 298.386 3.269 20 0 CGADHM CCC(=O)c1ccc(C(=O)Nc2ccccc2[O-])cc1 ZINC000340102647 376915351 /nfs/dbraw/zinc/91/53/51/376915351.db2.gz PQXOBUVZMCSKRN-UHFFFAOYSA-N -1 3 269.300 3.237 20 0 CGADHM O=C(Nc1ccccc1[O-])c1c[nH]c(-c2ccccc2)n1 ZINC000340101378 376917157 /nfs/dbraw/zinc/91/71/57/376917157.db2.gz CXMXJMXIAXLXJI-UHFFFAOYSA-N -1 3 279.299 3.035 20 0 CGADHM CCc1cc(C(=O)NC2CCCCCC2)ccc1[O-] ZINC000557409394 376933108 /nfs/dbraw/zinc/93/31/08/376933108.db2.gz BMOCWPRCCQLTKE-UHFFFAOYSA-N -1 3 261.365 3.407 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000340333354 377010923 /nfs/dbraw/zinc/01/09/23/377010923.db2.gz YEJNONMCWAUZHD-OLZOCXBDSA-N -1 3 289.281 3.413 20 0 CGADHM CCc1[n-][nH]c(=NC(=O)[C@@H]2C[C@H]2c2ccccc2CC)c1C ZINC000559018834 377060710 /nfs/dbraw/zinc/06/07/10/377060710.db2.gz UBTCFSOSAOKWCU-LSDHHAIUSA-N -1 3 297.402 3.007 20 0 CGADHM Cc1ncsc1CSCc1cc(=O)[n-]c(C2CC2)n1 ZINC000561244533 377214828 /nfs/dbraw/zinc/21/48/28/377214828.db2.gz MQQRUQDMAHRNMG-UHFFFAOYSA-N -1 3 293.417 3.258 20 0 CGADHM O=C(c1cc2c(cc1[O-])CCCC2)N1Cc2ccccc2C1 ZINC000436558607 284619574 /nfs/dbraw/zinc/61/95/74/284619574.db2.gz QMSTXNUVTCXDQK-UHFFFAOYSA-N -1 3 293.366 3.427 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)[C@H]2[C@@H]3CCC[C@@H]32)c1[O-] ZINC000248371717 377297347 /nfs/dbraw/zinc/29/73/47/377297347.db2.gz YYIKGGGEAPTTBS-IAZYJMLFSA-N -1 3 265.740 3.339 20 0 CGADHM CC(C)CC1(C[N-]S(=O)(=O)c2cccs2)CCC1 ZINC000340879705 377301368 /nfs/dbraw/zinc/30/13/68/377301368.db2.gz JXDJBYLYKLUFKQ-UHFFFAOYSA-N -1 3 287.450 3.243 20 0 CGADHM CC[C@@]1(C)CCCN(Cc2cc(C(=O)[O-])c(C)o2)C1 ZINC000563277922 377431963 /nfs/dbraw/zinc/43/19/63/377431963.db2.gz PWIYJKPXEQLFHR-HNNXBMFYSA-N -1 3 265.353 3.298 20 0 CGADHM CCN(CCc1nccs1)[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC000563282602 377434006 /nfs/dbraw/zinc/43/40/06/377434006.db2.gz IXJQIERSTOSDKZ-JTQLQIEISA-N -1 3 294.376 3.060 20 0 CGADHM CCCO[C@H]1CCCN(Cc2cc(C(=O)[O-])c(C)o2)CC1 ZINC000563280675 377434673 /nfs/dbraw/zinc/43/46/73/377434673.db2.gz ZXQMOVZYVBDFQO-ZDUSSCGKSA-N -1 3 295.379 3.067 20 0 CGADHM Cc1ccc2[n-]cc(C(=O)N3CCC[C@@H]3C(C)C)c(=O)c2c1 ZINC000341102982 377399488 /nfs/dbraw/zinc/39/94/88/377399488.db2.gz MWWIEQZXSPUHEV-MRXNPFEDSA-N -1 3 298.386 3.097 20 0 CGADHM C[C@@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)C1CCCC1 ZINC000265090704 190157392 /nfs/dbraw/zinc/15/73/92/190157392.db2.gz UQHVMYUFQLGTKN-LLVKDONJSA-N -1 3 284.359 3.249 20 0 CGADHM Cc1cc([C@@H](C)NC(=O)c2c([O-])cccc2O)c(C)s1 ZINC000092107862 249032875 /nfs/dbraw/zinc/03/28/75/249032875.db2.gz IBHAVGPHCANUSW-SECBINFHSA-N -1 3 291.372 3.267 20 0 CGADHM O=C(c1ccccc1[O-])N1CCCC2(CCCC2)C1 ZINC000436906182 296262246 /nfs/dbraw/zinc/26/22/46/296262246.db2.gz AZIAIGJHTPEODH-UHFFFAOYSA-N -1 3 259.349 3.189 20 0 CGADHM O=c1[n-]c(SC2CCC2)nc2c1cnn2-c1ccccc1 ZINC000270166940 249062011 /nfs/dbraw/zinc/06/20/11/249062011.db2.gz UOXSGLFGRGBKDY-UHFFFAOYSA-N -1 3 298.371 3.166 20 0 CGADHM C[C@H](CC(=O)[O-])NCc1cc(Cl)sc1Cl ZINC000312703035 249082510 /nfs/dbraw/zinc/08/25/10/249082510.db2.gz FJRHMCIDFBYXNR-RXMQYKEDSA-N -1 3 268.165 3.008 20 0 CGADHM C[C@H](NCc1cccc([O-])c1Br)C1CC1 ZINC000315046133 249098478 /nfs/dbraw/zinc/09/84/78/249098478.db2.gz OPPZPFJGFQTPNF-QMMMGPOBSA-N -1 3 270.170 3.043 20 0 CGADHM Cc1ccoc1CNCc1cc([O-])ccc1Br ZINC000315428916 249099319 /nfs/dbraw/zinc/09/93/19/249099319.db2.gz NLPSPKCXEVIWLC-UHFFFAOYSA-N -1 3 296.164 3.346 20 0 CGADHM [O-]c1ccc(Br)c(CNC2(CF)CCC2)c1 ZINC000516768977 249243145 /nfs/dbraw/zinc/24/31/45/249243145.db2.gz KEFSYFAEUMYSPG-UHFFFAOYSA-N -1 3 288.160 3.137 20 0 CGADHM CCc1oc(C(=O)[O-])cc1CN1CCCC[C@@H](SC)C1 ZINC000515489366 249212540 /nfs/dbraw/zinc/21/25/40/249212540.db2.gz CEAOQCHBKMCJSN-GFCCVEGCSA-N -1 3 297.420 3.258 20 0 CGADHM CCS[C@@H]1CC[C@H](N(C)Cc2cc(C(=O)[O-])co2)C1 ZINC000516932131 249250318 /nfs/dbraw/zinc/25/03/18/249250318.db2.gz CJCPLLSRVBLHQZ-WCQYABFASA-N -1 3 283.393 3.084 20 0 CGADHM CCc1cc(C(=O)N[C@@H](C)Cc2ccsc2)ccc1[O-] ZINC000517211184 249259511 /nfs/dbraw/zinc/25/95/11/249259511.db2.gz KYZOADPUMPNXND-NSHDSACASA-N -1 3 289.400 3.377 20 0 CGADHM Cc1cc([C@@H](C)N2CCC(C)CC2)oc1C(=O)[O-] ZINC000517240492 249260671 /nfs/dbraw/zinc/26/06/71/249260671.db2.gz GRBXPXJOSSWZNM-LLVKDONJSA-N -1 3 251.326 3.079 20 0 CGADHM CC[C@H](C)[C@H]1CCCCN1C(=O)c1cccc(OC)c1[O-] ZINC000265656354 190197171 /nfs/dbraw/zinc/19/71/71/190197171.db2.gz YXWHRRSJALEYCW-GXTWGEPZSA-N -1 3 291.391 3.442 20 0 CGADHM CC[C@@H](C)[C@H]1CCCCN1C(=O)c1cccc(OC)c1[O-] ZINC000265656363 190197450 /nfs/dbraw/zinc/19/74/50/190197450.db2.gz YXWHRRSJALEYCW-TZMCWYRMSA-N -1 3 291.391 3.442 20 0 CGADHM Cc1ccc2[n-]cc(C(=O)N3CCC[C@@H](C)[C@@H]3C)c(=O)c2c1 ZINC000341916013 377623637 /nfs/dbraw/zinc/62/36/37/377623637.db2.gz JAGPWHAANFHDON-OLZOCXBDSA-N -1 3 298.386 3.097 20 0 CGADHM Cc1ccc(C(=O)N(C)Cc2ccc(F)cc2F)c([O-])c1 ZINC000253479916 377695596 /nfs/dbraw/zinc/69/55/96/377695596.db2.gz TWQXUARAPOUIHU-UHFFFAOYSA-N -1 3 291.297 3.251 20 0 CGADHM CCc1cc(C(=O)N(CC)[C@H](C)C(C)C)ccc1[O-] ZINC000574583437 377683182 /nfs/dbraw/zinc/68/31/82/377683182.db2.gz WHYGIRWZZOODLE-GFCCVEGCSA-N -1 3 263.381 3.461 20 0 CGADHM O=C([O-])[C@H]1CCCN1CCc1cccc(Cl)c1Cl ZINC000575065739 377744547 /nfs/dbraw/zinc/74/45/47/377744547.db2.gz XISSKRMMLQQCOD-LLVKDONJSA-N -1 3 288.174 3.085 20 0 CGADHM O=C(/C=C\c1cncc([O-])c1)N1CCC[C@H]1c1ccccc1 ZINC000255286324 377745729 /nfs/dbraw/zinc/74/57/29/377745729.db2.gz WQWINVYLSSQDHK-JJEJIETFSA-N -1 3 294.354 3.164 20 0 CGADHM O=C(/C=C\c1nc2ccccc2o1)Nc1cccc([O-])c1F ZINC000255395511 377757152 /nfs/dbraw/zinc/75/71/52/377757152.db2.gz FTKHTKRGEWSYAT-HJWRWDBZSA-N -1 3 298.273 3.324 20 0 CGADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)C1CC(F)(F)C1 ZINC000342949883 377869738 /nfs/dbraw/zinc/86/97/38/377869738.db2.gz HEJFTNUXDRXKKG-UHFFFAOYSA-N -1 3 295.207 3.395 20 0 CGADHM C[C@H](CN1C[C@H](C(=O)[O-])CC[C@@H]1C)c1cc(F)cc(F)c1 ZINC000263116364 377919175 /nfs/dbraw/zinc/91/91/75/377919175.db2.gz ZVRZWMSGBQLRFN-GRYCIOLGSA-N -1 3 297.345 3.253 20 0 CGADHM O=C([O-])[C@H]1CCCN(CCCc2c(F)cccc2Cl)C1 ZINC000263396287 377932095 /nfs/dbraw/zinc/93/20/95/377932095.db2.gz GREUVIOGNYCFHL-NSHDSACASA-N -1 3 299.773 3.208 20 0 CGADHM COc1cccc2c1CC[C@@H]2NCc1ccc(C(=O)[O-])cc1 ZINC000263449788 377939629 /nfs/dbraw/zinc/93/96/29/377939629.db2.gz ZEXBSXXYVOHUHL-INIZCTEOSA-N -1 3 297.354 3.171 20 0 CGADHM CCOc1ccc(CN(C)Cc2cccc(C(=O)[O-])c2)cc1 ZINC000263493780 377941693 /nfs/dbraw/zinc/94/16/93/377941693.db2.gz SBSXISQTKAREIR-UHFFFAOYSA-N -1 3 299.370 3.416 20 0 CGADHM CCCCOc1ccccc1CN(C)C[C@H](C)C(=O)[O-] ZINC000263532229 377945654 /nfs/dbraw/zinc/94/56/54/377945654.db2.gz XEWFMXFWSQOEOA-ZDUSSCGKSA-N -1 3 279.380 3.018 20 0 CGADHM CSc1ccsc1C(=O)[N-]c1c(C)noc1C ZINC000264410035 377982907 /nfs/dbraw/zinc/98/29/07/377982907.db2.gz VKCQVVKHNWPELR-UHFFFAOYSA-N -1 3 268.363 3.327 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2C(C)(C)C)o1 ZINC000575823223 377993719 /nfs/dbraw/zinc/99/37/19/377993719.db2.gz UNXYYSOCTMNVKU-QWHCGFSZSA-N -1 3 299.436 3.471 20 0 CGADHM Cc1oc(C(=O)[O-])cc1CN1CC[C@]2(CC[C@H](C)C2)C1 ZINC000578199313 378045623 /nfs/dbraw/zinc/04/56/23/378045623.db2.gz AYUSPRGAXFQMGJ-ZBEGNZNMSA-N -1 3 277.364 3.298 20 0 CGADHM Cc1oc(C(=O)[O-])cc1CN1CC[C@@]2(CC[C@H](C)C2)C1 ZINC000578199312 378045708 /nfs/dbraw/zinc/04/57/08/378045708.db2.gz AYUSPRGAXFQMGJ-MEDUHNTESA-N -1 3 277.364 3.298 20 0 CGADHM Cc1oc([C@H](C)N(C)CCC2CC2)cc1C(=O)[O-] ZINC000565104219 322060656 /nfs/dbraw/zinc/06/06/56/322060656.db2.gz IIMVQDNRNHGCDF-VIFPVBQESA-N -1 3 251.326 3.079 20 0 CGADHM CCC[C@@H](C(=O)[O-])N(CC)Cc1c(F)cccc1F ZINC000578898592 378110674 /nfs/dbraw/zinc/11/06/74/378110674.db2.gz BFAYALQQYYVDKU-ZDUSSCGKSA-N -1 3 271.307 3.040 20 0 CGADHM Cc1ccc([C@H](C)N(C)Cc2ncccc2[O-])cc1 ZINC000579892072 378204575 /nfs/dbraw/zinc/20/45/75/378204575.db2.gz VHKXRLZCVQDFPF-ZDUSSCGKSA-N -1 3 256.349 3.289 20 0 CGADHM C[C@H](C(=O)[O-])N(Cc1ccc(F)cc1Cl)C1CCC1 ZINC000565256312 322070875 /nfs/dbraw/zinc/07/08/75/322070875.db2.gz YCGVWTJYAVFLCY-SECBINFHSA-N -1 3 285.746 3.307 20 0 CGADHM CC[C@H]1CCCC[C@@H]1OCC(=O)Nc1ccc([O-])cc1F ZINC000345422827 378280335 /nfs/dbraw/zinc/28/03/35/378280335.db2.gz YSTWCJNMVOJIIF-NHYWBVRUSA-N -1 3 295.354 3.455 20 0 CGADHM COC1(CC(=O)N2CC[C@H](C)c3cccc([O-])c32)CCC1 ZINC000277021573 284692288 /nfs/dbraw/zinc/69/22/88/284692288.db2.gz JTLAMKWZDBYGDW-LBPRGKRZSA-N -1 3 289.375 3.192 20 0 CGADHM Cc1oc([C@H](C)N2CCCO[C@@H](C(C)C)C2)cc1C(=O)[O-] ZINC000580330332 378241905 /nfs/dbraw/zinc/24/19/05/378241905.db2.gz GPWGFCAGHQMQSG-XHDPSFHLSA-N -1 3 295.379 3.094 20 0 CGADHM O=C([O-])c1cc(CN2CCCc3ccccc3C2)cs1 ZINC000582186988 378291321 /nfs/dbraw/zinc/29/13/21/378291321.db2.gz ZJVHODBOQBEACR-UHFFFAOYSA-N -1 3 287.384 3.395 20 0 CGADHM CCc1cc(C(=O)Nc2cnc(C)nc2C2CC2)ccc1[O-] ZINC000582429819 378313423 /nfs/dbraw/zinc/31/34/23/378313423.db2.gz GKLOBBIVBXBJBV-UHFFFAOYSA-N -1 3 297.358 3.183 20 0 CGADHM Cc1ccc(C(=O)N[C@@H]2CCO[C@@H](C(C)(C)C)C2)c([O-])c1 ZINC000270719510 378393641 /nfs/dbraw/zinc/39/36/41/378393641.db2.gz DERRZTOCJNSWQV-IUODEOHRSA-N -1 3 291.391 3.024 20 0 CGADHM C[C@@H]1CCN(C(=O)CCCc2ccc([O-])c(F)c2)[C@H]1C ZINC000345915342 378406563 /nfs/dbraw/zinc/40/65/63/378406563.db2.gz UFIFYUTUJBLRNY-NEPJUHHUSA-N -1 3 279.355 3.111 20 0 CGADHM C[C@H]1CCN(C(=O)c2cc(=O)c3ccccc3[n-]2)C[C@H]1C ZINC000270913279 378413343 /nfs/dbraw/zinc/41/33/43/378413343.db2.gz CUHLKYBPVXEQAX-NWDGAFQWSA-N -1 3 284.359 3.059 20 0 CGADHM CCC(CC)c1cc(C(=O)Nc2nc(C)ccc2[O-])on1 ZINC000345972154 378425132 /nfs/dbraw/zinc/42/51/32/378425132.db2.gz DGVPTAAYAMGGHH-UHFFFAOYSA-N -1 3 289.335 3.240 20 0 CGADHM CCC(CC)c1cc(C(=O)[N-]c2nc(C)ccc2O)on1 ZINC000345972154 378425138 /nfs/dbraw/zinc/42/51/38/378425138.db2.gz DGVPTAAYAMGGHH-UHFFFAOYSA-N -1 3 289.335 3.240 20 0 CGADHM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1cnnc(C)c1 ZINC000346208955 378505182 /nfs/dbraw/zinc/50/51/82/378505182.db2.gz FGWOEQBWMFXMIE-UHFFFAOYSA-N -1 3 294.314 3.001 20 0 CGADHM CC(C)[C@@H]1CCN1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000346590259 378635784 /nfs/dbraw/zinc/63/57/84/378635784.db2.gz GXMDMCREZFUHFX-AWEZNQCLSA-N -1 3 279.355 3.111 20 0 CGADHM Cc1cc(C(=O)NC2CC(c3ccccc3)C2)ccc1[O-] ZINC000272553984 378665696 /nfs/dbraw/zinc/66/56/96/378665696.db2.gz ZFZKDQGDTINALS-UHFFFAOYSA-N -1 3 281.355 3.377 20 0 CGADHM COc1cc(C(=O)N[C@H]2C[C@H]2C2CCCCC2)ccc1[O-] ZINC000272636494 378680730 /nfs/dbraw/zinc/68/07/30/378680730.db2.gz WOMPMZQUVSYOGV-KBPBESRZSA-N -1 3 289.375 3.099 20 0 CGADHM Cc1ccc2[n-]cc(C(=O)N3C[C@@H]4CCC[C@H]4C3)c(=O)c2c1 ZINC000273194882 378737541 /nfs/dbraw/zinc/73/75/41/378737541.db2.gz IRYLWROJRDAGNT-STQMWFEESA-N -1 3 296.370 3.121 20 0 CGADHM CCCC[C@H](C(=O)[O-])N1CCc2c(Cl)cccc2C1 ZINC000566358923 322117785 /nfs/dbraw/zinc/11/77/85/322117785.db2.gz OIWNMWXDOJKQOP-CQSZACIVSA-N -1 3 281.783 3.342 20 0 CGADHM [O-]c1cccnc1CNCc1ccc(Cl)cc1Cl ZINC000347928274 378733298 /nfs/dbraw/zinc/73/32/98/378733298.db2.gz VHAUYHYEBHWRTE-UHFFFAOYSA-N -1 3 283.158 3.384 20 0 CGADHM COCCC[C@@H](C)C(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000274411688 378828237 /nfs/dbraw/zinc/82/82/37/378828237.db2.gz VQXRPJSCRHVHGQ-QWHCGFSZSA-N -1 3 291.391 3.295 20 0 CGADHM O=C(NC[C@H]1CCC2(CCCCC2)O1)c1cccc([O-])c1 ZINC000276794003 378997829 /nfs/dbraw/zinc/99/78/29/378997829.db2.gz XCEURZCGSTWEPZ-OAHLLOKOSA-N -1 3 289.375 3.004 20 0 CGADHM Cc1cccc(C)c1CNCc1ccccc1CC(=O)[O-] ZINC000276925616 379023003 /nfs/dbraw/zinc/02/30/03/379023003.db2.gz ASONZWJIHVLBJZ-UHFFFAOYSA-N -1 3 283.371 3.220 20 0 CGADHM CC[C@H](C)[C@@H]1CCCCN1C(=O)c1ccc([O-])c(OC)c1 ZINC000276967666 379033478 /nfs/dbraw/zinc/03/34/78/379033478.db2.gz SVINFBQOBJPYGA-JSGCOSHPSA-N -1 3 291.391 3.442 20 0 CGADHM O=C([N-][C@H]1CCCc2cc(OC(F)F)ccc21)C(F)F ZINC000278666612 194091446 /nfs/dbraw/zinc/09/14/46/194091446.db2.gz NAQPSHLFXJHMRR-JTQLQIEISA-N -1 3 291.244 3.047 20 0 CGADHM CC1(C)CCC(CNCc2cc(C(=O)[O-])co2)CC1 ZINC000277082764 379062522 /nfs/dbraw/zinc/06/25/22/379062522.db2.gz WSSDZRUJXRLAMF-UHFFFAOYSA-N -1 3 265.353 3.284 20 0 CGADHM CC[C@H](C)C[C@@H](C)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000266373475 190252633 /nfs/dbraw/zinc/25/26/33/190252633.db2.gz RXPHSCDCQCZQMC-NWDGAFQWSA-N -1 3 286.375 3.495 20 0 CGADHM CC(C)CO[N-]C(=O)C[C@H](C)c1c[nH]c2ccccc21 ZINC000278727838 194124615 /nfs/dbraw/zinc/12/46/15/194124615.db2.gz HTCBFKNPWXNKCO-LBPRGKRZSA-N -1 3 274.364 3.365 20 0 CGADHM CC[C@@H]1OCCC[C@H]1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000277232240 379105568 /nfs/dbraw/zinc/10/55/68/379105568.db2.gz BNVBNYDXZASHMK-MFKMUULPSA-N -1 3 283.755 3.189 20 0 CGADHM O=C(c1cccc([O-])c1)N1CCC[C@H](c2ccccc2)C1 ZINC000348917072 379110154 /nfs/dbraw/zinc/11/01/54/379110154.db2.gz HIPUYQQEPXOYDZ-INIZCTEOSA-N -1 3 281.355 3.412 20 0 CGADHM COc1ccc(F)cc1[C@H](C)[N-]c1nnc(C(F)F)o1 ZINC000278752388 194138657 /nfs/dbraw/zinc/13/86/57/194138657.db2.gz SDNYMMJWDVWGCV-LURJTMIESA-N -1 3 287.241 3.328 20 0 CGADHM CO[C@@H]1CCCC[C@@H]1C(=O)Nc1c([O-])cccc1Cl ZINC000568214491 322198525 /nfs/dbraw/zinc/19/85/25/322198525.db2.gz YRMHMCNRNXGOGM-JOYOIKCWSA-N -1 3 283.755 3.189 20 0 CGADHM C[C@@H](CCCNCc1cccc(Cl)c1F)C(=O)[O-] ZINC000277322431 379131867 /nfs/dbraw/zinc/13/18/67/379131867.db2.gz NYCKAUIWBAHSSK-VIFPVBQESA-N -1 3 273.735 3.070 20 0 CGADHM [O-]c1cc(F)cc(-c2nc3c(ccc(F)c3F)[nH]2)c1 ZINC000349014034 379134932 /nfs/dbraw/zinc/13/49/32/379134932.db2.gz PNVUXSUTIDEZPH-UHFFFAOYSA-N -1 3 264.206 3.353 20 0 CGADHM COc1cccc([C@H](CC(=O)[O-])NCc2ccsc2)c1 ZINC000277431160 379157659 /nfs/dbraw/zinc/15/76/59/379157659.db2.gz UAWZSBCZRPKFSN-AWEZNQCLSA-N -1 3 291.372 3.062 20 0 CGADHM COc1cccc(CN[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])c1 ZINC000277463238 379165200 /nfs/dbraw/zinc/16/52/00/379165200.db2.gz VQLOJUUMHGDKPJ-CXAGYDPISA-N -1 3 299.370 3.247 20 0 CGADHM CCOc1cc(-c2noc(C[C@@H](C)SC)n2)ccc1[O-] ZINC000277781833 379234735 /nfs/dbraw/zinc/23/47/35/379234735.db2.gz DGSXCELRHQHEEX-SECBINFHSA-N -1 3 294.376 3.135 20 0 CGADHM Cc1ccc([C@H]2CCN(C(=O)c3cccc([O-])c3)C2)cc1 ZINC000373272962 379252282 /nfs/dbraw/zinc/25/22/82/379252282.db2.gz ICZJILOKLIIPPW-INIZCTEOSA-N -1 3 281.355 3.330 20 0 CGADHM [O-]c1cc(F)cc(CNCc2ccn(-c3ccccc3)n2)c1 ZINC000349572344 379311605 /nfs/dbraw/zinc/31/16/05/379311605.db2.gz ZLINJOHVYBENKI-UHFFFAOYSA-N -1 3 297.333 3.007 20 0 CGADHM CCN(CCc1cccs1)[C@H](C)c1nc(C)cc(=O)[n-]1 ZINC000279483749 379445077 /nfs/dbraw/zinc/44/50/77/379445077.db2.gz OGHNPKLGBKPGNB-GFCCVEGCSA-N -1 3 291.420 3.178 20 0 CGADHM COc1c(C)ccc(NC(=O)c2cc(C(F)F)[n-]n2)c1C ZINC000639520184 379451626 /nfs/dbraw/zinc/45/16/26/379451626.db2.gz XZVMTXNTLYQMDZ-UHFFFAOYSA-N -1 3 295.289 3.225 20 0 CGADHM Cc1ncsc1CCO[N-]C(=O)CCC1CCCCC1 ZINC000267137846 190306068 /nfs/dbraw/zinc/30/60/68/190306068.db2.gz XCPLPQLWYDXCFT-UHFFFAOYSA-N -1 3 296.436 3.402 20 0 CGADHM CC[C@@H](C)CN(CC)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000267295715 190319124 /nfs/dbraw/zinc/31/91/24/190319124.db2.gz KGFLXGLISIGXBV-GFCCVEGCSA-N -1 3 286.375 3.449 20 0 CGADHM CCC[C@H](NC(=O)c1cccc([O-])c1)[C@@H](O)c1ccccc1 ZINC000280532313 379726397 /nfs/dbraw/zinc/72/63/97/379726397.db2.gz JSHOWSTXGJAHDP-IRXDYDNUSA-N -1 3 299.370 3.024 20 0 CGADHM CSCCON=C([O-])Nc1cccc(C(F)F)c1 ZINC000280608861 379744806 /nfs/dbraw/zinc/74/48/06/379744806.db2.gz RTJBQICSMUGJOP-UHFFFAOYSA-N -1 3 276.308 3.040 20 0 CGADHM CSCCO[N-]C(=O)Nc1cccc(C(F)F)c1 ZINC000280608861 379744809 /nfs/dbraw/zinc/74/48/09/379744809.db2.gz RTJBQICSMUGJOP-UHFFFAOYSA-N -1 3 276.308 3.040 20 0 CGADHM [O-]c1cccc(CN2CC[C@H]3CCC[C@@H]32)c1Cl ZINC000378832126 379857998 /nfs/dbraw/zinc/85/79/98/379857998.db2.gz KOPPGXRAPREPOG-PWSUYJOCSA-N -1 3 251.757 3.420 20 0 CGADHM CCC1(CC)[C@H](OC)C[C@@H]1NCc1c(F)ccc([O-])c1F ZINC000352690290 379908817 /nfs/dbraw/zinc/90/88/17/379908817.db2.gz VEMPQTLOXODPFS-UONOGXRCSA-N -1 3 299.361 3.354 20 0 CGADHM Cc1cccc([O-])c1NC(=O)c1cc(-c2ccccn2)no1 ZINC000352642296 379889003 /nfs/dbraw/zinc/88/90/03/379889003.db2.gz DPGPOTNNTXJULK-UHFFFAOYSA-N -1 3 295.298 3.003 20 0 CGADHM Cc1ccc(NC(=O)[C@H]2CC3CCC2CC3)c([O-])c1 ZINC000389410196 379895927 /nfs/dbraw/zinc/89/59/27/379895927.db2.gz KVJOLPNCBPFOFG-BPCQOVAHSA-N -1 3 259.349 3.465 20 0 CGADHM C[C@H]([N-]S(=O)(=O)c1cccc2ccccc21)C(C)(F)F ZINC000389509635 379901059 /nfs/dbraw/zinc/90/10/59/379901059.db2.gz IUWVEABUONFQEX-JTQLQIEISA-N -1 3 299.342 3.162 20 0 CGADHM C[C@H]1CCN1C(=O)CCc1ccc2ccccc2c1[O-] ZINC000641241356 379973982 /nfs/dbraw/zinc/97/39/82/379973982.db2.gz BOXYIIMYCNZENN-LBPRGKRZSA-N -1 3 269.344 3.099 20 0 CGADHM O=C(NC[C@@H]1CC[C@@H]2C[C@@H]2C1)c1cc([O-])ccc1Cl ZINC000403592392 379975693 /nfs/dbraw/zinc/97/56/93/379975693.db2.gz FESKTMIPSFIIGJ-MXWKQRLJSA-N -1 3 279.767 3.212 20 0 CGADHM C[C@H](CN(C)Cc1occc1C(=O)[O-])C(C)(C)C ZINC000399564099 379940838 /nfs/dbraw/zinc/94/08/38/379940838.db2.gz HSQQURMMVRCWCL-SNVBAGLBSA-N -1 3 253.342 3.092 20 0 CGADHM Cc1scc(CNCc2nc(C)ccc2[O-])c1C ZINC000399941544 379947127 /nfs/dbraw/zinc/94/71/27/379947127.db2.gz PFSZRVDMOPJJLJ-UHFFFAOYSA-N -1 3 262.378 3.064 20 0 CGADHM CCc1cc(=O)[n-]c(CN([C@H](C)c2ccccc2)C2CC2)n1 ZINC000352838728 379995033 /nfs/dbraw/zinc/99/50/33/379995033.db2.gz MKWIJYYRTGXREA-CYBMUJFWSA-N -1 3 297.402 3.470 20 0 CGADHM CCCn1c(=O)[n-]nc1SCc1ccc(C)c(OC)c1 ZINC000641414420 380000699 /nfs/dbraw/zinc/00/06/99/380000699.db2.gz CYQJBZVHIFIPQB-UHFFFAOYSA-N -1 3 293.392 3.003 20 0 CGADHM CCCCN(C(=O)c1cc(F)cc2[n-]nnc21)[C@H](C)CC ZINC000282857112 380003706 /nfs/dbraw/zinc/00/37/06/380003706.db2.gz UKRGSKGSTKHVLV-SNVBAGLBSA-N -1 3 292.358 3.138 20 0 CGADHM CCCCN(C(=O)c1cc(F)cc2nn[n-]c21)[C@H](C)CC ZINC000282857112 380003708 /nfs/dbraw/zinc/00/37/08/380003708.db2.gz UKRGSKGSTKHVLV-SNVBAGLBSA-N -1 3 292.358 3.138 20 0 CGADHM CCCCN(C(=O)c1cc(F)cc2n[n-]nc21)[C@H](C)CC ZINC000282857112 380003712 /nfs/dbraw/zinc/00/37/12/380003712.db2.gz UKRGSKGSTKHVLV-SNVBAGLBSA-N -1 3 292.358 3.138 20 0 CGADHM C[C@H](NCc1ncccc1[O-])c1cc2ccccc2o1 ZINC000347916557 218397371 /nfs/dbraw/zinc/39/73/71/218397371.db2.gz FFJFCPQPOANXBW-NSHDSACASA-N -1 3 268.316 3.384 20 0 CGADHM Cc1ccc(O)c([N-]S(=O)(=O)CCC2CCCC2)c1 ZINC000641684627 380046215 /nfs/dbraw/zinc/04/62/15/380046215.db2.gz RFUPSYROAMYRLZ-UHFFFAOYSA-N -1 3 283.393 3.023 20 0 CGADHM Cc1cc2cc(CNCc3nc(C)ccc3[O-])ccc2[nH]1 ZINC000353139866 380135653 /nfs/dbraw/zinc/13/56/53/380135653.db2.gz ORSDBQCMCOOFNF-UHFFFAOYSA-N -1 3 281.359 3.175 20 0 CGADHM COc1cc(NCc2c(F)ccc([O-])c2F)ccc1F ZINC000353094261 380112927 /nfs/dbraw/zinc/11/29/27/380112927.db2.gz VJLJSOZKFARHGN-UHFFFAOYSA-N -1 3 283.249 3.430 20 0 CGADHM COc1cc(F)c([N-]C(=O)c2cc(C(C)C)no2)cc1F ZINC000268270679 190391538 /nfs/dbraw/zinc/39/15/38/190391538.db2.gz MWOLOMCWLHIPMG-UHFFFAOYSA-N -1 3 296.273 3.337 20 0 CGADHM [O-]c1cccnc1CNCc1cc2ccccc2s1 ZINC000353922729 380237814 /nfs/dbraw/zinc/23/78/14/380237814.db2.gz BYZHKYIKEBLXMS-UHFFFAOYSA-N -1 3 270.357 3.292 20 0 CGADHM CCc1cc(C(=O)N(C)Cc2ccsc2)ccc1[O-] ZINC000643907286 380393722 /nfs/dbraw/zinc/39/37/22/380393722.db2.gz OGAVAZQXDIHOFH-UHFFFAOYSA-N -1 3 275.373 3.288 20 0 CGADHM CCCCOc1ccccc1CN(C)CCCC(=O)[O-] ZINC000414633982 380347905 /nfs/dbraw/zinc/34/79/05/380347905.db2.gz AKENKXOFRQWWPH-UHFFFAOYSA-N -1 3 279.380 3.162 20 0 CGADHM CCc1cc(C(=O)NC2(C(F)F)CCCC2)ccc1[O-] ZINC000644558731 380450681 /nfs/dbraw/zinc/45/06/81/380450681.db2.gz IQRBKHHDYKGJFP-UHFFFAOYSA-N -1 3 283.318 3.262 20 0 CGADHM CCc1ccc([O-])c(C(=O)N(C)[C@H](C)CCSC)c1 ZINC000354328215 380401567 /nfs/dbraw/zinc/40/15/67/380401567.db2.gz MELSUWXSKPNYPN-LLVKDONJSA-N -1 3 281.421 3.168 20 0 CGADHM CCc1ccc([O-])c(C(=O)N[C@@H]2CCCc3occc32)c1 ZINC000354745221 380546599 /nfs/dbraw/zinc/54/65/99/380546599.db2.gz FCVJYYNAOFLCMB-CQSZACIVSA-N -1 3 285.343 3.355 20 0 CGADHM O=c1cc(CNc2ccccc2Cl)nc(C2CC2)[n-]1 ZINC000416998430 380558748 /nfs/dbraw/zinc/55/87/48/380558748.db2.gz WRRQZBOEKTWFPL-UHFFFAOYSA-N -1 3 275.739 3.325 20 0 CGADHM CC(C)Cc1ccc(CNCc2ncccc2[O-])cc1 ZINC000355296427 380631068 /nfs/dbraw/zinc/63/10/68/380631068.db2.gz SUGXBPNTMNTOGA-UHFFFAOYSA-N -1 3 270.376 3.276 20 0 CGADHM Cc1cc2[nH]c(CNCc3ncccc3[O-])cc2c(C)c1 ZINC000355315721 380640247 /nfs/dbraw/zinc/64/02/47/380640247.db2.gz MXJVOFHRCCHYOO-UHFFFAOYSA-N -1 3 281.359 3.175 20 0 CGADHM Cc1cccc2cc(S(=O)(=O)[N-][C@@H](C)C3CC3)sc21 ZINC000645441640 380680347 /nfs/dbraw/zinc/68/03/47/380680347.db2.gz HEWRGUZEVVQAME-JTQLQIEISA-N -1 3 295.429 3.287 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2c(C)c(F)ccc2Cl)n1 ZINC000357168932 381050505 /nfs/dbraw/zinc/05/05/05/381050505.db2.gz NVQHZDHZPSLTGL-UHFFFAOYSA-N -1 3 294.713 3.449 20 0 CGADHM CCN(C(=O)c1cccc([O-])c1)c1cccc(OC)c1 ZINC000357181366 381056777 /nfs/dbraw/zinc/05/67/77/381056777.db2.gz DRPNTZDEYOIVKS-UHFFFAOYSA-N -1 3 271.316 3.068 20 0 CGADHM CCc1cc(=O)[n-]c(CSCc2ccc(F)c(F)c2)n1 ZINC000357354677 381122767 /nfs/dbraw/zinc/12/27/67/381122767.db2.gz YWWDGCPKRNMULR-UHFFFAOYSA-N -1 3 296.342 3.456 20 0 CGADHM CCCCO[C@H]1C[C@H](NC(=O)c2cccc([O-])c2)C1(C)C ZINC000357312011 381102458 /nfs/dbraw/zinc/10/24/58/381102458.db2.gz WBRZWQJZVXJVPP-GJZGRUSLSA-N -1 3 291.391 3.106 20 0 CGADHM CC(C)CN(C(=O)Cc1ccc([O-])cc1Cl)C(C)C ZINC000357336969 381111804 /nfs/dbraw/zinc/11/18/04/381111804.db2.gz MYWACGOGTLVPOY-UHFFFAOYSA-N -1 3 283.799 3.481 20 0 CGADHM Cc1noc2ncc(NCc3c(F)ccc([O-])c3F)cc12 ZINC000357706672 381258147 /nfs/dbraw/zinc/25/81/47/381258147.db2.gz PZZUAGKZAGEUMN-UHFFFAOYSA-N -1 3 291.257 3.127 20 0 CGADHM C[C@H]([N-]C(=O)C(C)(F)F)c1c(F)cccc1Cl ZINC000289221053 197267398 /nfs/dbraw/zinc/26/73/98/197267398.db2.gz NDHDXMWVFFDEFN-LURJTMIESA-N -1 3 265.662 3.312 20 0 CGADHM CCC(C)(C)CCSc1nc(=O)[n-]c(C)c1C(=O)OC ZINC000361448316 381750539 /nfs/dbraw/zinc/75/05/39/381750539.db2.gz ZDHMUIMBGCIOJG-UHFFFAOYSA-N -1 3 298.408 3.196 20 0 CGADHM Cc1c(F)cccc1-c1ccc(CN[C@@H](C)CC(=O)[O-])o1 ZINC000362348124 381951674 /nfs/dbraw/zinc/95/16/74/381951674.db2.gz DLEFAYDDXJORON-JTQLQIEISA-N -1 3 291.322 3.347 20 0 CGADHM CCc1cc(C(=O)N2CCC[C@@H](C)[C@@H]2C)ccc1[O-] ZINC000362824856 382125417 /nfs/dbraw/zinc/12/54/17/382125417.db2.gz FQRLIBBEKKSWMK-NEPJUHHUSA-N -1 3 261.365 3.215 20 0 CGADHM CCc1cc(C(=O)Nc2cc(CO)ccc2C)ccc1[O-] ZINC000362938215 382156582 /nfs/dbraw/zinc/15/65/82/382156582.db2.gz JVFBYXREKLSOCO-UHFFFAOYSA-N -1 3 285.343 3.008 20 0 CGADHM CC(C)C[C@H](N[C@H](C)c1cccc(F)c1F)C(=O)[O-] ZINC000232624983 542306290 /nfs/dbraw/zinc/30/62/90/542306290.db2.gz FIFDZZDZDYEZBA-SKDRFNHKSA-N -1 3 271.307 3.115 20 0 CGADHM Cc1ccc([C@@H]2CCCN2C(=O)c2ccc(O)cc2[O-])cc1 ZINC000363177943 382191112 /nfs/dbraw/zinc/19/11/12/382191112.db2.gz AAFWCAMRQZKWMS-INIZCTEOSA-N -1 3 297.354 3.384 20 0 CGADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H](C)C3CC3)nc2)n1 ZINC000370088082 382417334 /nfs/dbraw/zinc/41/73/34/382417334.db2.gz AAOBXGXNNBQYIL-SNVBAGLBSA-N -1 3 284.363 3.017 20 0 CGADHM CC1(NC(=O)c2cc([O-])c3ccccc3c2)CCC1 ZINC000281732298 542384398 /nfs/dbraw/zinc/38/43/98/542384398.db2.gz XIWMQJWFCOOGNP-UHFFFAOYSA-N -1 3 255.317 3.218 20 0 CGADHM Cc1cc(C(=O)Nc2ccc3[nH]ccc3c2)ccc1[O-] ZINC000353868853 220375424 /nfs/dbraw/zinc/37/54/24/220375424.db2.gz ICNPGVGFZTWHJE-UHFFFAOYSA-N -1 3 266.300 3.434 20 0 CGADHM Cc1cccc(C(=O)N(C)C2CCC(F)(F)CC2)c1[O-] ZINC000288373844 197062514 /nfs/dbraw/zinc/06/25/14/197062514.db2.gz VBZOSRSVLOTFLT-UHFFFAOYSA-N -1 3 283.318 3.351 20 0 CGADHM COCCCO[N-]C(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000288115548 197007589 /nfs/dbraw/zinc/00/75/89/197007589.db2.gz LTOZWVSVENFHFW-IAGOWNOFSA-N -1 3 299.370 3.028 20 0 CGADHM Cc1cc(C(=O)N2CCC3(CCC3)CC2)ccc1[O-] ZINC000308722761 542423766 /nfs/dbraw/zinc/42/37/66/542423766.db2.gz FTJABDXERSUEDW-UHFFFAOYSA-N -1 3 259.349 3.107 20 0 CGADHM Cc1ccc(CNCC[C@H](C)CC(=O)[O-])c(Cl)c1 ZINC000320239938 542439528 /nfs/dbraw/zinc/43/95/28/542439528.db2.gz AQIIBMWMBGWEII-NSHDSACASA-N -1 3 269.772 3.239 20 0 CGADHM CCCc1occc1C(=O)[N-]c1nnc(C(F)F)s1 ZINC000281786859 195381251 /nfs/dbraw/zinc/38/12/51/195381251.db2.gz HNZUEJWDHZSFKX-UHFFFAOYSA-N -1 3 287.291 3.274 20 0 CGADHM COc1cc(C(=O)N(C)[C@H](C)C2CCCCC2)ccc1[O-] ZINC000282593071 195654364 /nfs/dbraw/zinc/65/43/64/195654364.db2.gz XGXFTDQZGCQGDC-GFCCVEGCSA-N -1 3 291.391 3.442 20 0 CGADHM [O-]c1cc(F)cc(-c2nc3cc(F)c(F)cc3[nH]2)c1 ZINC000349012955 285381104 /nfs/dbraw/zinc/38/11/04/285381104.db2.gz POSFXOHPRHOSNT-UHFFFAOYSA-N -1 3 264.206 3.353 20 0 CGADHM COc1cc(-c2noc(-c3ccccc3[O-])n2)ccc1C ZINC000436902251 533455931 /nfs/dbraw/zinc/45/59/31/533455931.db2.gz PQFSTIMDUZQKPQ-UHFFFAOYSA-N -1 3 282.299 3.426 20 0 CGADHM COc1cc(-c2noc(-c3cc(C)ccc3[O-])n2)cc(C)n1 ZINC000436787870 533456911 /nfs/dbraw/zinc/45/69/11/533456911.db2.gz ZKDCLRXXNHARLI-UHFFFAOYSA-N -1 3 297.314 3.130 20 0 CGADHM Cc1ccc(C(=O)N[C@H]2CCCC(F)(F)C2)c([O-])c1 ZINC000436600232 533596669 /nfs/dbraw/zinc/59/66/69/533596669.db2.gz DUYNRQGARMZKSN-JTQLQIEISA-N -1 3 269.291 3.008 20 0 CGADHM Cc1ccc(C(=O)Nc2cnc(CC3CC3)nc2)c([O-])c1C ZINC000436701969 533619121 /nfs/dbraw/zinc/61/91/21/533619121.db2.gz CICXIPGVPUEJGH-UHFFFAOYSA-N -1 3 297.358 3.004 20 0 CGADHM [O-]c1coc2cc(OC[C@@H]3CC[C@@H]4C[C@@H]4C3)ccc12 ZINC000403116699 542623551 /nfs/dbraw/zinc/62/35/51/542623551.db2.gz LXBZMTSIWQPIPQ-UTUOFQBUSA-N -1 3 258.317 3.077 20 0 CGADHM O=C([O-])[C@@H]1CN(C[C@@H]2CC[C@H]3C[C@H]3C2)Cc2ccccc21 ZINC000403402564 542623998 /nfs/dbraw/zinc/62/39/98/542623998.db2.gz SITPRQDSMXSDEP-IARIHHJXSA-N -1 3 285.387 3.107 20 0 CGADHM COc1ccc(NC(=O)C(C)(C)CC(F)F)c([O-])c1 ZINC000412281609 542631483 /nfs/dbraw/zinc/63/14/83/542631483.db2.gz UOLAYTYHPGPIBK-UHFFFAOYSA-N -1 3 273.279 3.021 20 0 CGADHM O=C(N[C@@H]1CC=CCC1)c1cc([O-])ccc1C(F)(F)F ZINC000192219162 130396097 /nfs/dbraw/zinc/39/60/97/130396097.db2.gz KSYJECPRSSFFPJ-SECBINFHSA-N -1 3 285.265 3.250 20 0 CGADHM CCOc1ccc([N-]S(=O)(=O)c2ccccc2)c(C)c1 ZINC000048655852 392007585 /nfs/dbraw/zinc/00/75/85/392007585.db2.gz HQYIANITINMLQF-UHFFFAOYSA-N -1 3 291.372 3.195 20 0 CGADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CCCCCC1 ZINC000049179932 392037780 /nfs/dbraw/zinc/03/77/80/392037780.db2.gz YIAWQUMCKKAYPU-UHFFFAOYSA-N -1 3 273.376 3.287 20 0 CGADHM Cc1cccc(N(C)C(=O)c2cc(C)ccc2[O-])c1 ZINC000049990912 392060764 /nfs/dbraw/zinc/06/07/64/392060764.db2.gz MODDSPNJRWLWNS-UHFFFAOYSA-N -1 3 255.317 3.286 20 0 CGADHM COc1ccc(NC(=O)c2ccccc2SC)c([O-])c1 ZINC000442704721 542665714 /nfs/dbraw/zinc/66/57/14/542665714.db2.gz NHDJHEZZDLSVSM-UHFFFAOYSA-N -1 3 289.356 3.375 20 0 CGADHM Cc1ccccc1OCCN(C)Cc1ccc(C(=O)[O-])cc1 ZINC000261958079 131179065 /nfs/dbraw/zinc/17/90/65/131179065.db2.gz OFBJWASARIRTHD-UHFFFAOYSA-N -1 3 299.370 3.204 20 0 CGADHM Cc1cccc(OCCN(C)Cc2ccc(C(=O)[O-])cc2)c1 ZINC000262001608 131182266 /nfs/dbraw/zinc/18/22/66/131182266.db2.gz VFDNRFHJSKYKLK-UHFFFAOYSA-N -1 3 299.370 3.204 20 0 CGADHM CCc1cc(C(=O)N([C@H](C)C2CC2)C2CC2)ccc1[O-] ZINC000291528992 392463890 /nfs/dbraw/zinc/46/38/90/392463890.db2.gz STEDTQWPDHIZKY-LLVKDONJSA-N -1 3 273.376 3.358 20 0 CGADHM CC(C)N(C(=O)c1cc([O-])c2ccccc2c1)[C@H]1CCOC1 ZINC000292962877 392515134 /nfs/dbraw/zinc/51/51/34/392515134.db2.gz WDAAULZQFMDVIZ-HNNXBMFYSA-N -1 3 299.370 3.185 20 0 CGADHM O=C(NCC1CC(c2ccccc2)C1)c1cccc([O-])c1 ZINC000374669671 392688965 /nfs/dbraw/zinc/68/89/65/392688965.db2.gz OLSLGJBWFYOJQG-UHFFFAOYSA-N -1 3 281.355 3.316 20 0 CGADHM C[C@@H]1CC[C@H](C(N)=O)CN1Cc1cccc([O-])c1Cl ZINC000334411938 392725780 /nfs/dbraw/zinc/72/57/80/392725780.db2.gz UUKGISSTHZJJNZ-KOLCDFICSA-N -1 3 282.771 3.181 20 0 CGADHM CCOC(=O)c1ccc(NC(=O)[C@@H](C)[C@@H](C)CC)c([O-])c1 ZINC000506479007 392727129 /nfs/dbraw/zinc/72/71/29/392727129.db2.gz IBJVVEAVQOLVJK-QWRGUYRKSA-N -1 3 293.363 3.190 20 0 CGADHM CC1(CNC(=O)c2cccc([O-])c2)CCCCCC1 ZINC000509495337 392757925 /nfs/dbraw/zinc/75/79/25/392757925.db2.gz PRJUIUMGESGAMJ-UHFFFAOYSA-N -1 3 261.365 3.483 20 0 CGADHM C[C@H](c1ccc(F)cc1F)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000647368263 392709597 /nfs/dbraw/zinc/70/95/97/392709597.db2.gz OZIGWXBKBVYPIH-BREBYQMCSA-N -1 3 283.318 3.068 20 0 CGADHM CCc1ocnc1C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000506225699 392717199 /nfs/dbraw/zinc/71/71/99/392717199.db2.gz XEXJMBISJQHSIQ-UHFFFAOYSA-N -1 3 288.347 3.492 20 0 CGADHM [O-]c1cc(F)cc(CNCc2ccccc2-n2ccnc2)c1 ZINC000185489064 392772096 /nfs/dbraw/zinc/77/20/96/392772096.db2.gz JAOOQGCMNUEKHJ-UHFFFAOYSA-N -1 3 297.333 3.007 20 0 CGADHM CC(C)(C)C(=O)Nc1nnc(-c2ccc3ccccc3n2)[n-]1 ZINC000647770306 392794634 /nfs/dbraw/zinc/79/46/34/392794634.db2.gz ISBUJDAVYDQHBT-UHFFFAOYSA-N -1 3 295.346 3.005 20 0 CGADHM CC(C)(C)C(=O)Nc1nc(-c2ccc3ccccc3n2)n[n-]1 ZINC000647770306 392794638 /nfs/dbraw/zinc/79/46/38/392794638.db2.gz ISBUJDAVYDQHBT-UHFFFAOYSA-N -1 3 295.346 3.005 20 0 CGADHM CC(C)(C)C(=O)Nc1n[n-]c(-c2ccc3ccccc3n2)n1 ZINC000647770306 392794643 /nfs/dbraw/zinc/79/46/43/392794643.db2.gz ISBUJDAVYDQHBT-UHFFFAOYSA-N -1 3 295.346 3.005 20 0 CGADHM CSc1ccc(C(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)cc1 ZINC000647797634 392799745 /nfs/dbraw/zinc/79/97/45/392799745.db2.gz VYLXVJQJNSTFNH-UHFFFAOYSA-N -1 3 299.355 3.243 20 0 CGADHM Cc1ccc(C)c(CC(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)c1 ZINC000647796409 392800191 /nfs/dbraw/zinc/80/01/91/392800191.db2.gz XRXQBCAJKAQFLP-UHFFFAOYSA-N -1 3 295.342 3.067 20 0 CGADHM Cc1oc2ncnc([N-]C(=O)c3ccoc3Cl)c2c1C ZINC000192263936 392845389 /nfs/dbraw/zinc/84/53/89/392845389.db2.gz IJWLNQKLLCKLOJ-UHFFFAOYSA-N -1 3 291.694 3.338 20 0 CGADHM COC(=O)c1ccc(/C=C/c2ccc3cccc([O-])c3n2)o1 ZINC000195332015 392965997 /nfs/dbraw/zinc/96/59/97/392965997.db2.gz FMSOWQXNVBAKKE-BQYQJAHWSA-N -1 3 295.294 3.490 20 0 CGADHM Cc1cccc(C(=O)N[C@H]2C[C@H]2c2cccc(F)c2)c1[O-] ZINC000195716139 392974304 /nfs/dbraw/zinc/97/43/04/392974304.db2.gz DGWLEKLFMZERON-GJZGRUSLSA-N -1 3 285.318 3.126 20 0 CGADHM CCC[C@H]1CCCCN1C(=O)c1ccc(OC)cc1[O-] ZINC000213418502 392985449 /nfs/dbraw/zinc/98/54/49/392985449.db2.gz WLASPMYSTZISND-LBPRGKRZSA-N -1 3 277.364 3.196 20 0 CGADHM Cc1cc(Cl)ccc1CN1CCCC[C@H]1C(=O)[O-] ZINC000235785940 393028500 /nfs/dbraw/zinc/02/85/00/393028500.db2.gz VPQKPTJBJCJTEM-ZDUSSCGKSA-N -1 3 267.756 3.088 20 0 CGADHM Cc1ccc([O-])c(NC(=O)CCCC(C)(C)C)n1 ZINC000345924369 393072364 /nfs/dbraw/zinc/07/23/64/393072364.db2.gz IYBAZMPJLFJCMN-UHFFFAOYSA-N -1 3 250.342 3.251 20 0 CGADHM O=C([O-])[C@@]12CCC[C@H]1CN(Cc1ccsc1Cl)C2 ZINC000263531783 393151285 /nfs/dbraw/zinc/15/12/85/393151285.db2.gz WYDAUJMAPJRYRF-GXFFZTMASA-N -1 3 285.796 3.088 20 0 CGADHM CCCn1c(=O)[n-]nc1SCc1ccc(F)cc1C ZINC000547821113 393152102 /nfs/dbraw/zinc/15/21/02/393152102.db2.gz NGXPIVZPDQGJKC-UHFFFAOYSA-N -1 3 281.356 3.134 20 0 CGADHM O=C(CCCc1ccc([O-])c(F)c1)N1CC[C@H]2CCC[C@H]21 ZINC000469621242 393204924 /nfs/dbraw/zinc/20/49/24/393204924.db2.gz LPKOJVIIDNQTNH-UKRRQHHQSA-N -1 3 291.366 3.255 20 0 CGADHM C[C@@H]1CCN(C(=O)C(F)(F)C(F)F)c2c([O-])cccc21 ZINC000274353997 393285696 /nfs/dbraw/zinc/28/56/96/393285696.db2.gz IRHQPQHMHMAYAV-SSDOTTSWSA-N -1 3 291.244 3.133 20 0 CGADHM C[C@@H]1[C@@H](C)[C@H](C)CN1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000416325602 393299980 /nfs/dbraw/zinc/29/99/80/393299980.db2.gz SXFHFSKKHRJWQT-FRRDWIJNSA-N -1 3 293.382 3.357 20 0 CGADHM CCN(C(=O)c1csc(=O)[n-]1)[C@H](C)c1ccc(F)cc1 ZINC000471796224 393304935 /nfs/dbraw/zinc/30/49/35/393304935.db2.gz CUEPYCINUACEHV-SECBINFHSA-N -1 3 294.351 3.211 20 0 CGADHM O=C(NC1CCCC1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000646584101 393306218 /nfs/dbraw/zinc/30/62/18/393306218.db2.gz YRCCSZCLDIXCAW-UHFFFAOYSA-N -1 3 273.254 3.083 20 0 CGADHM CCCC[C@@H](CC)CNC(=O)c1ccc2[nH][n-]c(=O)c2c1 ZINC000646634041 393310130 /nfs/dbraw/zinc/31/01/30/393310130.db2.gz SYERPJRZAVZVJC-LLVKDONJSA-N -1 3 289.379 3.215 20 0 CGADHM O=C(N[C@@H](C1CCC1)C1CCCC1)c1cccc2nn[n-]c21 ZINC000649006077 393316446 /nfs/dbraw/zinc/31/64/46/393316446.db2.gz BKBQBYCFKPHIMM-OAHLLOKOSA-N -1 3 298.390 3.047 20 0 CGADHM O=C(N[C@@H](C1CCC1)C1CCCC1)c1cccc2[n-]nnc21 ZINC000649006077 393316450 /nfs/dbraw/zinc/31/64/50/393316450.db2.gz BKBQBYCFKPHIMM-OAHLLOKOSA-N -1 3 298.390 3.047 20 0 CGADHM O=C(N[C@@H](C1CCC1)C1CCCC1)c1cccc2n[n-]nc21 ZINC000649006077 393316455 /nfs/dbraw/zinc/31/64/55/393316455.db2.gz BKBQBYCFKPHIMM-OAHLLOKOSA-N -1 3 298.390 3.047 20 0 CGADHM CCc1cc(C(=O)N2CC(C)(CC(F)F)C2)ccc1[O-] ZINC000649015108 393319177 /nfs/dbraw/zinc/31/91/77/393319177.db2.gz MVXYINDSDGTPTF-UHFFFAOYSA-N -1 3 283.318 3.072 20 0 CGADHM CCc1cccc(C(=O)N(C)CCC(C)(C)C)c1[O-] ZINC000649027892 393326057 /nfs/dbraw/zinc/32/60/57/393326057.db2.gz CVYRJAWAGDXOSK-UHFFFAOYSA-N -1 3 263.381 3.463 20 0 CGADHM Cc1nc(Cl)ccc1NC([O-])=NOC1CCCC1 ZINC000278957027 393329273 /nfs/dbraw/zinc/32/92/73/393329273.db2.gz MYTUPYJHRQACFA-UHFFFAOYSA-N -1 3 269.732 3.039 20 0 CGADHM Cc1nc(Cl)ccc1NC(=O)[N-]OC1CCCC1 ZINC000278957027 393329277 /nfs/dbraw/zinc/32/92/77/393329277.db2.gz MYTUPYJHRQACFA-UHFFFAOYSA-N -1 3 269.732 3.039 20 0 CGADHM Cc1cc(S(=O)(=O)[N-]CC(C)(C)C)c(Cl)cc1F ZINC000471327990 393280114 /nfs/dbraw/zinc/28/01/14/393280114.db2.gz KPLNATZRJRMULS-UHFFFAOYSA-N -1 3 293.791 3.112 20 0 CGADHM O=c1cc(CSCCCF)nc(-c2ccccc2)[n-]1 ZINC000419448123 393382774 /nfs/dbraw/zinc/38/27/74/393382774.db2.gz XBUAFJJKGPNVBY-UHFFFAOYSA-N -1 3 278.352 3.442 20 0 CGADHM O=C(N[C@@H](C1CCC1)C1CCCCC1)c1csc(=O)[n-]1 ZINC000649111687 393346904 /nfs/dbraw/zinc/34/69/04/393346904.db2.gz BMTJPPMHZUVFSG-CYBMUJFWSA-N -1 3 294.420 3.328 20 0 CGADHM Cc1cnc([C@H](C)Sc2n[n-]c(-c3ccccn3)n2)o1 ZINC000356172014 393367558 /nfs/dbraw/zinc/36/75/58/393367558.db2.gz YQWLNLTXDSDNCL-VIFPVBQESA-N -1 3 287.348 3.016 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@@H](C)c1cccc(C)c1 ZINC000649231110 393379563 /nfs/dbraw/zinc/37/95/63/393379563.db2.gz HSRQITCTURSBAS-LBPRGKRZSA-N -1 3 285.391 3.314 20 0 CGADHM Cc1ccc2nccc(N3CC[C@H](C(=O)[O-])[C@@H](C)C3)c2c1 ZINC000649404296 393413217 /nfs/dbraw/zinc/41/32/17/393413217.db2.gz GBUNMVLHOZHXET-STQMWFEESA-N -1 3 284.359 3.090 20 0 CGADHM Cc1nc2ccccc2c(N2CC[C@@H](C(=O)[O-])[C@@H]2C)c1C ZINC000649406962 393413838 /nfs/dbraw/zinc/41/38/38/393413838.db2.gz KDCGULRJDWXRPJ-QWHCGFSZSA-N -1 3 284.359 3.151 20 0 CGADHM CCc1cc(C(=O)N2CCCC[C@H]2C(F)F)ccc1[O-] ZINC000488581002 393541184 /nfs/dbraw/zinc/54/11/84/393541184.db2.gz TXTLUFUURQXYBG-LBPRGKRZSA-N -1 3 283.318 3.214 20 0 CGADHM CCOc1nc2ccc(-c3nc(C4(C)CC4)no3)cc2[n-]1 ZINC000420504898 393492594 /nfs/dbraw/zinc/49/25/94/393492594.db2.gz YDOHRGMBIWMXLP-UHFFFAOYSA-N -1 3 284.319 3.063 20 0 CGADHM CCCS(=O)(=O)[N-]c1c(Cl)ccc2ccncc21 ZINC000649670830 393536368 /nfs/dbraw/zinc/53/63/68/393536368.db2.gz JIIQLDSTDWNKPB-UHFFFAOYSA-N -1 3 284.768 3.040 20 0 CGADHM CC[C@H](CS(=O)(=O)[N-]c1cccc2ccccc21)OC ZINC000421140073 393592680 /nfs/dbraw/zinc/59/26/80/393592680.db2.gz MIUFRELWVLHNCL-CYBMUJFWSA-N -1 3 293.388 3.007 20 0 CGADHM CC[C@@H](C)C[C@@H](C)[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000360887086 393606619 /nfs/dbraw/zinc/60/66/19/393606619.db2.gz IMKJUAGHRPEBNM-NXEZZACHSA-N -1 3 291.363 3.068 20 0 CGADHM Cc1ccc(NC(=O)/C=C/c2cnccc2C)c([O-])c1 ZINC000492455352 393737322 /nfs/dbraw/zinc/73/73/22/393737322.db2.gz HZMAALQVZLGLQK-GQCTYLIASA-N -1 3 268.316 3.056 20 0 CGADHM O=C(/C=C\c1ccsc1)[N-]OCc1ccc(F)cc1 ZINC000492478896 393742177 /nfs/dbraw/zinc/74/21/77/393742177.db2.gz XEQIXJGLTUNCDE-UTCJRWHESA-N -1 3 277.320 3.148 20 0 CGADHM O=C(Nc1cccc(Cl)c1)c1cc(F)cc2[n-]nnc21 ZINC000433126676 393687849 /nfs/dbraw/zinc/68/78/49/393687849.db2.gz DLAVTVYNSOCXNI-UHFFFAOYSA-N -1 3 290.685 3.003 20 0 CGADHM O=C(Nc1cccc(Cl)c1)c1cc(F)cc2nn[n-]c21 ZINC000433126676 393687852 /nfs/dbraw/zinc/68/78/52/393687852.db2.gz DLAVTVYNSOCXNI-UHFFFAOYSA-N -1 3 290.685 3.003 20 0 CGADHM O=C(Nc1cccc(Cl)c1)c1cc(F)cc2n[n-]nc21 ZINC000433126676 393687854 /nfs/dbraw/zinc/68/78/54/393687854.db2.gz DLAVTVYNSOCXNI-UHFFFAOYSA-N -1 3 290.685 3.003 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2Cc3ccccc3OC[C@@H]2C)c1 ZINC000436729546 393717524 /nfs/dbraw/zinc/71/75/24/393717524.db2.gz BHDCSVCZPRVYAE-ZDUSSCGKSA-N -1 3 297.354 3.124 20 0 CGADHM Cc1cccnc1/C=C\C(=O)Nc1ccc(Cl)cc1[O-] ZINC000492623024 393764163 /nfs/dbraw/zinc/76/41/63/393764163.db2.gz KRSWJEABPFGRBL-SREVYHEPSA-N -1 3 288.734 3.401 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2ccc(OC)c(F)c2)c1 ZINC000499696886 393803566 /nfs/dbraw/zinc/80/35/66/393803566.db2.gz ITWSKELTOYWDKL-UHFFFAOYSA-N -1 3 289.306 3.355 20 0 CGADHM CC(C)CC(CC(C)C)[N-]S(=O)(=O)c1ccco1 ZINC000445735781 393819796 /nfs/dbraw/zinc/81/97/96/393819796.db2.gz XAUIYBLEXLVYFH-UHFFFAOYSA-N -1 3 273.398 3.019 20 0 CGADHM CCC[C@@H](NC(=O)Cc1ccc([O-])c(F)c1)C(C)(C)C ZINC000452667458 394100332 /nfs/dbraw/zinc/10/03/32/394100332.db2.gz HENJQBFHNLVBJH-CQSZACIVSA-N -1 3 281.371 3.405 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@@]3(C)C2)c1 ZINC000456985895 394306517 /nfs/dbraw/zinc/30/65/17/394306517.db2.gz PACJDIXMWPYOFF-ZFHGCVPZSA-N -1 3 285.387 3.209 20 0 CGADHM CC(=O)c1ccc(C(=O)NC2(C)CCC(C)CC2)cc1[O-] ZINC000667786592 542929204 /nfs/dbraw/zinc/92/92/04/542929204.db2.gz VQLBZROHSGIXSC-UHFFFAOYSA-N -1 3 289.375 3.293 20 0 CGADHM CSc1ccc([O-])c(C(=O)N(CC2CC2)CC2CC2)c1 ZINC000668814564 543064845 /nfs/dbraw/zinc/06/48/45/543064845.db2.gz NNFRMAMHFAFBRJ-UHFFFAOYSA-N -1 3 291.416 3.376 20 0 CGADHM CSc1ccc([O-])c(C(=O)N2CCS[C@H](C)[C@@H]2C)c1 ZINC000668894211 543075009 /nfs/dbraw/zinc/07/50/09/543075009.db2.gz UZWYUCRABXBHFJ-VHSXEESVSA-N -1 3 297.445 3.080 20 0 CGADHM CCC(C)(C)N(C)C(=O)c1cc(SC)ccc1[O-] ZINC000668899439 543075239 /nfs/dbraw/zinc/07/52/39/543075239.db2.gz ZMSYYHHQKGFDFW-UHFFFAOYSA-N -1 3 267.394 3.375 20 0 CGADHM O=C([N-]c1csc(-c2ccccc2)n1)c1cnco1 ZINC000672333111 543209749 /nfs/dbraw/zinc/20/97/49/543209749.db2.gz JVWQSVQGBXFBOO-UHFFFAOYSA-N -1 3 271.301 3.050 20 0 CGADHM C[C@H](C(=O)[O-])C1(NCc2cc(Cl)sc2Cl)CC1 ZINC000649510006 397715946 /nfs/dbraw/zinc/71/59/46/397715946.db2.gz OQVYIKFAIBHPIN-ZCFIWIBFSA-N -1 3 294.203 3.398 20 0 CGADHM O=C(Nc1ncccc1[O-])c1cc2ccc(F)cc2s1 ZINC000674315483 543281337 /nfs/dbraw/zinc/28/13/37/543281337.db2.gz UGJWTVJXFYZLJV-UHFFFAOYSA-N -1 3 288.303 3.393 20 0 CGADHM Cc1ccc([O-])c(C(=O)NCC(C)(C)[C@@H]2CCCCO2)c1 ZINC000675221392 543322478 /nfs/dbraw/zinc/32/24/78/543322478.db2.gz YMDSOTHVOGQNER-HNNXBMFYSA-N -1 3 291.391 3.026 20 0 CGADHM Cc1cc(Oc2ccccc2)ccc1NC(=O)c1nc[n-]n1 ZINC000676527585 543403578 /nfs/dbraw/zinc/40/35/78/543403578.db2.gz KCPARNLMYOIGTC-UHFFFAOYSA-N -1 3 294.314 3.158 20 0 CGADHM CC(C)c1ccc(C(=O)N2CC3(CC(F)C3)C2)c([O-])c1 ZINC000677125287 543434162 /nfs/dbraw/zinc/43/41/62/543434162.db2.gz RDWMJKMCMVLDKO-UHFFFAOYSA-N -1 3 277.339 3.090 20 0 CGADHM CCOC1(C)CCN(C(=O)c2cc([O-])ccc2Cl)CC1 ZINC000293742948 286003529 /nfs/dbraw/zinc/00/35/29/286003529.db2.gz VKYODMJCGSYKHG-UHFFFAOYSA-N -1 3 297.782 3.077 20 0 CGADHM Cc1cc([N-]C(=O)[C@@H](C)N2CC(C)(C)c3ccccc32)on1 ZINC000677895487 543472001 /nfs/dbraw/zinc/47/20/01/543472001.db2.gz JPUNKDTWOAACPZ-GFCCVEGCSA-N -1 3 299.374 3.108 20 0 CGADHM CC(C)c1ccc(C(=O)N2CC3(C2)CC(F)(F)C3)c([O-])c1 ZINC000677926200 543473522 /nfs/dbraw/zinc/47/35/22/543473522.db2.gz FIAZXSKSOHIJCI-UHFFFAOYSA-N -1 3 295.329 3.387 20 0 CGADHM CSc1cc(NC(=O)c2cccc(C)c2[O-])ccn1 ZINC000678031011 543477244 /nfs/dbraw/zinc/47/72/44/543477244.db2.gz HFDRLTLGNSLKGH-UHFFFAOYSA-N -1 3 274.345 3.070 20 0 CGADHM C[C@H](c1cccs1)N(C)C(=O)c1cccc([O-])c1 ZINC000042226934 286892806 /nfs/dbraw/zinc/89/28/06/286892806.db2.gz CHFRCUDSRODGDK-SNVBAGLBSA-N -1 3 261.346 3.287 20 0 CGADHM CC(C)CCO[C@H](C)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000049289432 286921856 /nfs/dbraw/zinc/92/18/56/286921856.db2.gz DXZGHUDIGJZPPN-SNVBAGLBSA-N -1 3 285.771 3.435 20 0 CGADHM CC(C)[C@H]1CCCN(C(=O)c2ccccc2[O-])CC1 ZINC000071029045 286991680 /nfs/dbraw/zinc/99/16/80/286991680.db2.gz NXNMASGAVBLLAL-ZDUSSCGKSA-N -1 3 261.365 3.291 20 0 CGADHM C[C@@H](NC(=O)NCc1ccc([O-])c(F)c1)C1CCCCC1 ZINC000074373999 287012319 /nfs/dbraw/zinc/01/23/19/287012319.db2.gz ZXDOYYIROGSUCQ-LLVKDONJSA-N -1 3 294.370 3.299 20 0 CGADHM C[C@@H](NCc1nc(C(=O)[O-])cs1)[C@H](C)c1ccccc1 ZINC000514608494 287042148 /nfs/dbraw/zinc/04/21/48/287042148.db2.gz SOGNEMQIXFEANE-WDEREUQCSA-N -1 3 290.388 3.123 20 0 CGADHM COc1cccc(C(=O)NCCC2=CCCCC2)c1[O-] ZINC000078346292 287047663 /nfs/dbraw/zinc/04/76/63/287047663.db2.gz DNFGLSTWLLEUEA-UHFFFAOYSA-N -1 3 275.348 3.021 20 0 CGADHM COc1cccc(C(=O)N(C)CCCc2ccccc2)c1[O-] ZINC000078360450 287047955 /nfs/dbraw/zinc/04/79/55/287047955.db2.gz VGONCZZMCCRCDX-UHFFFAOYSA-N -1 3 299.370 3.106 20 0 CGADHM Cc1cccc(OCCN(C)C(=O)c2cccc(C)c2[O-])c1 ZINC000078572956 287049887 /nfs/dbraw/zinc/04/98/87/287049887.db2.gz BZLUCHPEYLQVOR-UHFFFAOYSA-N -1 3 299.370 3.160 20 0 CGADHM Cc1nc2cc(NC(=O)c3cccc(C)c3[O-])ccc2o1 ZINC000078625791 287050453 /nfs/dbraw/zinc/05/04/53/287050453.db2.gz XWHHPJNQACPHQR-UHFFFAOYSA-N -1 3 282.299 3.403 20 0 CGADHM CC[C@@H]1CCCN(C(=O)c2ccc(C)cc2[O-])CC1 ZINC000079053536 287053346 /nfs/dbraw/zinc/05/33/46/287053346.db2.gz PVKJMIIEPLEWAT-CYBMUJFWSA-N -1 3 261.365 3.353 20 0 CGADHM Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2[O-])n1C ZINC000081458593 287073257 /nfs/dbraw/zinc/07/32/57/287073257.db2.gz VSPVMIGHRJLEEB-UHFFFAOYSA-N -1 3 298.264 3.310 20 0 CGADHM CCC(=O)Nc1cc(Cc2ccccc2)ccc1[O-] ZINC000081459810 287073313 /nfs/dbraw/zinc/07/33/13/287073313.db2.gz DFDIBRHQYWMJQL-UHFFFAOYSA-N -1 3 255.317 3.332 20 0 CGADHM O=C(Nc1ccc([O-])cc1F)c1nccc2ccccc21 ZINC000070333131 165060011 /nfs/dbraw/zinc/06/00/11/165060011.db2.gz MOYAKIBJSQHWTP-UHFFFAOYSA-N -1 3 282.274 3.332 20 0 CGADHM Cc1ccc(C(=O)[N-]c2nnc(-c3ccsc3)s2)o1 ZINC000079850422 165151058 /nfs/dbraw/zinc/15/10/58/165151058.db2.gz MURDRRCDAYEFRA-UHFFFAOYSA-N -1 3 291.357 3.420 20 0 CGADHM O=C(Nc1ccc2[nH]ccc2c1)c1cccc([O-])c1 ZINC000082282556 165168826 /nfs/dbraw/zinc/16/88/26/165168826.db2.gz MNQHEINBIYHWBJ-UHFFFAOYSA-N -1 3 252.273 3.126 20 0 CGADHM Cc1cccc(C(=O)N2CCC[C@@H]3CCC[C@@H]32)c1[O-] ZINC000087777662 165189316 /nfs/dbraw/zinc/18/93/16/165189316.db2.gz ZBMYYCWDYDTSSE-JSGCOSHPSA-N -1 3 259.349 3.105 20 0 CGADHM C[C@H](CCC[C@@H](C)C(=O)[O-])NCc1ccccc1F ZINC000087677482 165190810 /nfs/dbraw/zinc/19/08/10/165190810.db2.gz KVMRYKTVTZWDSR-VXGBXAGGSA-N -1 3 267.344 3.195 20 0 CGADHM COc1ccc(Cl)cc1NCc1nc(C)ccc1[O-] ZINC000091993499 165279149 /nfs/dbraw/zinc/27/91/49/165279149.db2.gz YFFOSIQHVRAOFA-UHFFFAOYSA-N -1 3 278.739 3.370 20 0 CGADHM Cc1ccc([O-])c(CNc2ccc3c(c2)OC(C)(C)O3)n1 ZINC000091993749 165279201 /nfs/dbraw/zinc/27/92/01/165279201.db2.gz FOUQBQNSGHNOHN-UHFFFAOYSA-N -1 3 286.331 3.215 20 0 CGADHM CCc1ccc([O-])c(C(=O)N(CC)c2nc(C)cs2)c1 ZINC000091683410 287109409 /nfs/dbraw/zinc/10/94/09/287109409.db2.gz XYGJLSLAMDFHRC-UHFFFAOYSA-N -1 3 290.388 3.386 20 0 CGADHM CSc1ccc(NC(=O)c2cccc(C)c2[O-])nc1 ZINC000116467357 287157959 /nfs/dbraw/zinc/15/79/59/287157959.db2.gz LADJOKULYDNNFE-UHFFFAOYSA-N -1 3 274.345 3.070 20 0 CGADHM Cc1cccc(C(=O)N2CC[C@@H](C)C[C@@H](C)C2)c1[O-] ZINC000119355322 287168413 /nfs/dbraw/zinc/16/84/13/287168413.db2.gz QWENDZRKBMNXTK-VXGBXAGGSA-N -1 3 261.365 3.209 20 0 CGADHM CC(C)(C)C[C@H](CC(=O)[O-])NCc1cccnc1Cl ZINC000284197505 196001580 /nfs/dbraw/zinc/00/15/80/196001580.db2.gz KYILNWRKBJEKPP-NSHDSACASA-N -1 3 284.787 3.104 20 0 CGADHM CCN(Cc1ccccc1)C(=O)c1ccccc1[O-] ZINC000011639211 170431353 /nfs/dbraw/zinc/43/13/53/170431353.db2.gz MBJAXZZVBFBQRM-UHFFFAOYSA-N -1 3 255.317 3.055 20 0 CGADHM CS[C@@H](C)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000125262959 287241738 /nfs/dbraw/zinc/24/17/38/287241738.db2.gz NVNQYTSZSZGKQP-LURJTMIESA-N -1 3 279.283 3.101 20 0 CGADHM O=C(c1ccccc1[O-])N1CC[C@H]2CCCC[C@@H]2C1 ZINC000035219430 172060399 /nfs/dbraw/zinc/06/03/99/172060399.db2.gz MEKDEGLWMYPAEO-CHWSQXEVSA-N -1 3 259.349 3.045 20 0 CGADHM COc1ccc(C(=O)N2CCC[C@@H]3CCCC[C@@H]32)c([O-])c1 ZINC000035219414 172060428 /nfs/dbraw/zinc/06/04/28/172060428.db2.gz BNAXDSTWRPHUPU-WFASDCNBSA-N -1 3 289.375 3.196 20 0 CGADHM O=C([O-])c1sc2cccc(F)c2c1CN1CCCC1 ZINC000037336429 173137829 /nfs/dbraw/zinc/13/78/29/173137829.db2.gz VQEOSECNOUTPLB-UHFFFAOYSA-N -1 3 279.336 3.334 20 0 CGADHM O=C(Nc1cccc([O-])c1F)c1cccc(F)c1F ZINC000128385573 287309650 /nfs/dbraw/zinc/30/96/50/287309650.db2.gz TYYFESZMIUDHQJ-UHFFFAOYSA-N -1 3 267.206 3.062 20 0 CGADHM C[C@@H]1CCN(Cc2ccccc2Cl)[C@H](C(=O)[O-])C1 ZINC000129382606 287330264 /nfs/dbraw/zinc/33/02/64/287330264.db2.gz OEMXLCCLNVHDST-MFKMUULPSA-N -1 3 267.756 3.025 20 0 CGADHM O=C(Nc1ncccc1[O-])c1cc2cc(Cl)ccc2[nH]1 ZINC000058647597 416483709 /nfs/dbraw/zinc/48/37/09/416483709.db2.gz PMSVLNHUQDEIFK-UHFFFAOYSA-N -1 3 287.706 3.174 20 0 CGADHM C[C@H]1CN(C(=O)c2cccc([O-])c2)CCc2ccccc21 ZINC000404763569 416556811 /nfs/dbraw/zinc/55/68/11/416556811.db2.gz DXKRNMZMDNWLJU-ZDUSSCGKSA-N -1 3 281.355 3.194 20 0 CGADHM C[C@@H]1CN(C(=O)c2ccccc2[O-])CCc2ccccc21 ZINC000404806270 416557263 /nfs/dbraw/zinc/55/72/63/416557263.db2.gz YONBGMZGGJKONQ-CYBMUJFWSA-N -1 3 281.355 3.194 20 0 CGADHM Cc1ccccc1CCC(=O)Nc1cccc([O-])c1F ZINC000129738762 287338353 /nfs/dbraw/zinc/33/83/53/287338353.db2.gz SGLVTEIUXITHCW-UHFFFAOYSA-N -1 3 273.307 3.411 20 0 CGADHM COCCC1(C(=O)Nc2cccc([O-])c2F)CCCC1 ZINC000129771673 287338933 /nfs/dbraw/zinc/33/89/33/287338933.db2.gz GODWKFPSKUOEKY-UHFFFAOYSA-N -1 3 281.327 3.067 20 0 CGADHM COc1ccc([O-])c(C(=O)N2CCC[C@@H]2CC(C)(C)C)c1 ZINC000130190821 287347066 /nfs/dbraw/zinc/34/70/66/287347066.db2.gz UADMLZQUDONILX-GFCCVEGCSA-N -1 3 291.391 3.442 20 0 CGADHM Cc1ccc(C(=O)Nc2cc(O)c(C)cc2C)c([O-])c1 ZINC000680823604 543736366 /nfs/dbraw/zinc/73/63/66/543736366.db2.gz YZYROAVOBYWKFY-UHFFFAOYSA-N -1 3 271.316 3.275 20 0 CGADHM Cc1cccc(C(=O)NC(C)(C)CC(F)(F)F)c1[O-] ZINC000682021791 543816041 /nfs/dbraw/zinc/81/60/41/543816041.db2.gz PHLPQMWCBFDJAU-UHFFFAOYSA-N -1 3 275.270 3.161 20 0 CGADHM [O-]c1ccc(F)c(CNCCC[C@H]2CCCC[C@@H]2O)c1F ZINC000352679692 227155720 /nfs/dbraw/zinc/15/57/20/227155720.db2.gz HOXARQKMXSTIGP-RISCZKNCSA-N -1 3 299.361 3.091 20 0 CGADHM C[C@H]1C[C@H]1CC(=O)Nc1cc(Br)ccc1[O-] ZINC000354894557 227212367 /nfs/dbraw/zinc/21/23/67/227212367.db2.gz FXBPZVZWCUQKAW-YUMQZZPRSA-N -1 3 284.153 3.139 20 0 CGADHM O=C([O-])CCN(Cc1cccc(Cl)c1F)CC1CC1 ZINC000652467834 418970947 /nfs/dbraw/zinc/97/09/47/418970947.db2.gz MBFCLJBOUPKPSR-UHFFFAOYSA-N -1 3 285.746 3.166 20 0 CGADHM COc1ccc(Cl)cc1CN(CCC(=O)[O-])CC1CC1 ZINC000652466951 418971075 /nfs/dbraw/zinc/97/10/75/418971075.db2.gz FMUKWBLYCXUKKW-UHFFFAOYSA-N -1 3 297.782 3.035 20 0 CGADHM CCCc1nc(C)c(CN2CCC[C@H](CCC(=O)[O-])C2)o1 ZINC000652494993 418974417 /nfs/dbraw/zinc/97/44/17/418974417.db2.gz IAFAJCGXDHPHTK-CYBMUJFWSA-N -1 3 294.395 3.012 20 0 CGADHM C[C@H]1CCCN(Cc2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC000652366571 418958252 /nfs/dbraw/zinc/95/82/52/418958252.db2.gz AXFPGVIJASYAIR-JTQLQIEISA-N -1 3 267.756 3.270 20 0 CGADHM CCN(Cc1ccoc1C(=O)[O-])Cc1ccccc1C ZINC000652389746 418959071 /nfs/dbraw/zinc/95/90/71/418959071.db2.gz CFSHEIHZRKABME-UHFFFAOYSA-N -1 3 273.332 3.308 20 0 CGADHM CC[C@H]1c2ccccc2CCN1Cc1occc1C(=O)[O-] ZINC000652414494 418964124 /nfs/dbraw/zinc/96/41/24/418964124.db2.gz AVTOTJNSSQLWAS-HNNXBMFYSA-N -1 3 285.343 3.487 20 0 CGADHM O=C([O-])c1ccc(CN2CCCc3sccc3C2)s1 ZINC000652411061 418965025 /nfs/dbraw/zinc/96/50/25/418965025.db2.gz XRMSINXVWMKVCR-UHFFFAOYSA-N -1 3 293.413 3.456 20 0 CGADHM Cc1ccc2nccc(N3C[C@@H](C(=O)[O-])[C@H](C4CC4)C3)c2c1 ZINC000652537811 418978507 /nfs/dbraw/zinc/97/85/07/418978507.db2.gz ZZCHJEWATMHDRQ-LSDHHAIUSA-N -1 3 296.370 3.090 20 0 CGADHM CN(Cc1ccc(C(=O)[O-])o1)C[C@H]1CCc2ccccc21 ZINC000659802964 418994576 /nfs/dbraw/zinc/99/45/76/418994576.db2.gz BBFPBXSXPKUHHJ-CYBMUJFWSA-N -1 3 285.343 3.140 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@@H]1C[C@@H]1C1CCCC1 ZINC000653035841 419012287 /nfs/dbraw/zinc/01/22/87/419012287.db2.gz CCNWQNCLKWSPJM-CHWSQXEVSA-N -1 3 275.396 3.028 20 0 CGADHM CSc1ccc([O-])c(C(=O)N2C[C@H](C)C[C@@H](C)C2)c1 ZINC000665100268 419055866 /nfs/dbraw/zinc/05/58/66/419055866.db2.gz STRZJXQMQNLOMX-GHMZBOCLSA-N -1 3 279.405 3.232 20 0 CGADHM Cc1ccc(CN(Cc2ccccc2)C[C@@H](C)C(=O)[O-])cn1 ZINC000656190976 419146845 /nfs/dbraw/zinc/14/68/45/419146845.db2.gz YTMBLJPTKBGCMR-CQSZACIVSA-N -1 3 298.386 3.113 20 0 CGADHM CC(F)(F)C(C)(C)[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000656186526 419147203 /nfs/dbraw/zinc/14/72/03/419147203.db2.gz FDOVOZMMDWUGKX-UHFFFAOYSA-N -1 3 297.754 3.052 20 0 CGADHM O=c1cc(CN2CC[C@H]2c2cccc(F)c2)nc(C2CC2)[n-]1 ZINC000656454044 419172596 /nfs/dbraw/zinc/17/25/96/419172596.db2.gz PAHGYABJTTVXQO-HNNXBMFYSA-N -1 3 299.349 3.146 20 0 CGADHM O=C([O-])c1ccc(CN2CC[C@@H](C3CCCCC3)C2)o1 ZINC000656761849 419212198 /nfs/dbraw/zinc/21/21/98/419212198.db2.gz VDHYRLXKWWWVNY-CYBMUJFWSA-N -1 3 277.364 3.380 20 0 CGADHM CCOCc1nnc([N-]Cc2cc3c(cccc3C)[nH]2)o1 ZINC000656773248 419214676 /nfs/dbraw/zinc/21/46/76/419214676.db2.gz YATYLNRISXXGOF-UHFFFAOYSA-N -1 3 286.335 3.008 20 0 CGADHM C[C@H]([N-]S(=O)(=O)c1ccoc1)c1ccc(Cl)s1 ZINC000336032433 228179816 /nfs/dbraw/zinc/17/98/16/228179816.db2.gz SSFYUXRKQQSCSQ-ZETCQYMHSA-N -1 3 291.781 3.034 20 0 CGADHM COc1cccc(CN2CCC[C@H](C)[C@@H]2C(=O)[O-])c1Cl ZINC000662211435 419361890 /nfs/dbraw/zinc/36/18/90/419361890.db2.gz GVGBEXWQNUAZPC-IINYFYTJSA-N -1 3 297.782 3.034 20 0 CGADHM CC(=O)c1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2C)cc1[O-] ZINC000663132769 419517654 /nfs/dbraw/zinc/51/76/54/419517654.db2.gz UVNXGTDOOOMZFZ-IAQYHMDHSA-N -1 3 289.375 3.246 20 0 CGADHM Cc1ccc2cc(C[N-]c3nnc([C@H]4CCCO4)o3)[nH]c2c1 ZINC000663257989 419534153 /nfs/dbraw/zinc/53/41/53/419534153.db2.gz YPKVBQRUIPYVIA-CQSZACIVSA-N -1 3 298.346 3.323 20 0 CGADHM CCCC[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(C)o1 ZINC000536893104 288510054 /nfs/dbraw/zinc/51/00/54/288510054.db2.gz JUFCIYGNLFGSFZ-QWHCGFSZSA-N -1 3 285.409 3.225 20 0 CGADHM Cc1cc(C(=O)N[C@@H](C)c2ccccc2)ccc1[O-] ZINC000226713491 287635672 /nfs/dbraw/zinc/63/56/72/287635672.db2.gz YLTVSOILBASFPV-LBPRGKRZSA-N -1 3 255.317 3.192 20 0 CGADHM Cc1cc(C(=O)NCCc2ccc(Cl)s2)ccc1[O-] ZINC000226716689 287635815 /nfs/dbraw/zinc/63/58/15/287635815.db2.gz IMUWHBDJJJSNKS-UHFFFAOYSA-N -1 3 295.791 3.388 20 0 CGADHM CC[C@@H]1CCCN(C(=O)c2ccc([O-])c(C)c2)CC1 ZINC000227031122 287636860 /nfs/dbraw/zinc/63/68/60/287636860.db2.gz GDNMFYADXIPWQL-CYBMUJFWSA-N -1 3 261.365 3.353 20 0 CGADHM CC(C)Oc1ccc(NC(=O)/C=C/c2cncc([O-])c2)cc1 ZINC000179434643 260048538 /nfs/dbraw/zinc/04/85/38/260048538.db2.gz VIQNSPWGKDWIPR-FPYGCLRLSA-N -1 3 298.342 3.226 20 0 CGADHM Cc1cccc([O-])c1NC(=O)/C=C/c1ccc2c(c1)OCO2 ZINC000179549000 260054622 /nfs/dbraw/zinc/05/46/22/260054622.db2.gz QDHVFRBCEAVSQY-SOFGYWHQSA-N -1 3 297.310 3.081 20 0 CGADHM COc1ccc(CN[C@@H](C)[C@@H](C(=O)[O-])C(C)C)c(Cl)c1 ZINC000424612539 533685290 /nfs/dbraw/zinc/68/52/90/533685290.db2.gz AGLGGPQBECBDFW-HZMBPMFUSA-N -1 3 299.798 3.184 20 0 CGADHM Cc1cccc(C(=O)Nc2nc3c(s2)CCCC3)c1[O-] ZINC000042272722 270032236 /nfs/dbraw/zinc/03/22/36/270032236.db2.gz WTKMKNICCIKXAE-UHFFFAOYSA-N -1 3 288.372 3.288 20 0 CGADHM CC[C@H](NC(=O)c1cccc(C)c1[O-])c1nc(C)cs1 ZINC000104939437 270046956 /nfs/dbraw/zinc/04/69/56/270046956.db2.gz ZLDXRSRAPGYTMK-LBPRGKRZSA-N -1 3 290.388 3.347 20 0 CGADHM CC[C@H](NC(=O)c1ccc(C)cc1[O-])c1nc(C)cs1 ZINC000105381540 270047516 /nfs/dbraw/zinc/04/75/16/270047516.db2.gz XLNUXGRBRWWLED-LBPRGKRZSA-N -1 3 290.388 3.347 20 0 CGADHM COc1ccc([O-])c(C(=O)N(CCC(C)C)C2CC2)c1 ZINC000107202783 270049736 /nfs/dbraw/zinc/04/97/36/270049736.db2.gz KGHGOBVFIOYGRG-UHFFFAOYSA-N -1 3 277.364 3.052 20 0 CGADHM CN(Cc1ccc(F)cc1Cl)C(=O)c1ccccc1[O-] ZINC000107158492 270049769 /nfs/dbraw/zinc/04/97/69/270049769.db2.gz HFZQZPARGKZCLI-UHFFFAOYSA-N -1 3 293.725 3.457 20 0 CGADHM CC(C)[C@@H]1C[C@H]1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000185387674 270062732 /nfs/dbraw/zinc/06/27/32/270062732.db2.gz RNUPYZCULKCFMG-VHSXEESVSA-N -1 3 253.729 3.276 20 0 CGADHM COc1c(C)cc(S(=O)(=O)[N-]c2ccccc2)cc1C ZINC000192709685 270077624 /nfs/dbraw/zinc/07/76/24/270077624.db2.gz PCDZVLLWLZTUGN-UHFFFAOYSA-N -1 3 291.372 3.113 20 0 CGADHM CS[C@@H]1CCC[C@@H](NC(=O)c2cc(C)ccc2[O-])C1 ZINC000227355171 270087056 /nfs/dbraw/zinc/08/70/56/270087056.db2.gz BHKIBVPVVGTSIT-VXGBXAGGSA-N -1 3 279.405 3.105 20 0 CGADHM CCCC[C@@H](CC)CNC(=O)c1c([O-])cccc1O ZINC000228855126 270088244 /nfs/dbraw/zinc/08/82/44/270088244.db2.gz IPPZSIQUVHJUEB-LLVKDONJSA-N -1 3 265.353 3.044 20 0 CGADHM CC1(C)[C@H](C(F)(F)F)CCN1Cc1occc1C(=O)[O-] ZINC000312828812 270092461 /nfs/dbraw/zinc/09/24/61/270092461.db2.gz JODDMWWNCGKFCJ-SNVBAGLBSA-N -1 3 291.269 3.141 20 0 CGADHM Cc1cc(C(=O)N[C@H](C2CC2)C2CCC2)ccc1[O-] ZINC000325325541 270094960 /nfs/dbraw/zinc/09/49/60/270094960.db2.gz XQYDDGYATDZHNR-HNNXBMFYSA-N -1 3 259.349 3.009 20 0 CGADHM CC(C)[C@@H]1CN(Cc2ccc(C(=O)[O-])s2)CCS1 ZINC000519826872 270098393 /nfs/dbraw/zinc/09/83/93/270098393.db2.gz NVFWJLNUCOOBNX-LBPRGKRZSA-N -1 3 285.434 3.020 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)c2ccccc2)c1-c1ccccc1 ZINC000522168704 270105161 /nfs/dbraw/zinc/10/51/61/270105161.db2.gz LGTDPEGAOUOMBC-UHFFFAOYSA-N -1 3 277.327 3.059 20 0 CGADHM Cc1ccc(F)c(S(=O)(=O)[N-]C2C[C@@H](C)C[C@H](C)C2)c1 ZINC000523521824 270109654 /nfs/dbraw/zinc/10/96/54/270109654.db2.gz FIJQEYVBVIMFQC-RYUDHWBXSA-N -1 3 299.411 3.237 20 0 CGADHM Cc1ccc(F)c(S(=O)(=O)[N-]C2C[C@H](C)C[C@@H](C)C2)c1 ZINC000523521825 270109674 /nfs/dbraw/zinc/10/96/74/270109674.db2.gz FIJQEYVBVIMFQC-VXGBXAGGSA-N -1 3 299.411 3.237 20 0 CGADHM CCN(CC1CC1)C(=O)c1cc([O-])cc(Br)c1 ZINC000528539458 270167890 /nfs/dbraw/zinc/16/78/90/270167890.db2.gz WZUWZCVKUXREGM-UHFFFAOYSA-N -1 3 298.180 3.027 20 0 CGADHM CCCC[C@@H](NCc1c(Cl)cccc1OC)C(=O)[O-] ZINC000233024547 287647239 /nfs/dbraw/zinc/64/72/39/287647239.db2.gz ULACUIQBCSAJBH-GFCCVEGCSA-N -1 3 285.771 3.082 20 0 CGADHM O=C([O-])[C@H]1c2ccoc2CCN1C[C@H]1CCCCC1(F)F ZINC000530165545 270195268 /nfs/dbraw/zinc/19/52/68/270195268.db2.gz RQDMRTPXHMPVJQ-ZWNOBZJWSA-N -1 3 299.317 3.089 20 0 CGADHM CCc1cccc(C(=O)Nc2ccccc2CCOC)c1[O-] ZINC000530335102 270198802 /nfs/dbraw/zinc/19/88/02/270198802.db2.gz CBGBHOLEOIPIAA-UHFFFAOYSA-N -1 3 299.370 3.396 20 0 CGADHM Cc1ccccc1-c1cc(=NC(=O)[C@@H]2CC23CCCC3)[nH][n-]1 ZINC000530625140 270201253 /nfs/dbraw/zinc/20/12/53/270201253.db2.gz DHRUVVJHAHNHFP-AWEZNQCLSA-N -1 3 295.386 3.326 20 0 CGADHM CCc1cccc(C(=O)NCCCOC2CCCC2)c1[O-] ZINC000530716479 270202457 /nfs/dbraw/zinc/20/24/57/270202457.db2.gz GGJYQTRWRQIHTA-UHFFFAOYSA-N -1 3 291.391 3.034 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2[C@H](C)C[C@H]3CCCC[C@H]32)c1 ZINC000246735800 287718452 /nfs/dbraw/zinc/71/84/52/287718452.db2.gz IAZGTUYJVLNQNE-UMVBOHGHSA-N -1 3 273.376 3.494 20 0 CGADHM COc1cc(C(=O)N[C@H]2c3ccccc3C[C@H]2C)ccc1[O-] ZINC000362390314 274091850 /nfs/dbraw/zinc/09/18/50/274091850.db2.gz HEFIXTJDXMGDOP-PIGZYNQJSA-N -1 3 297.354 3.064 20 0 CGADHM CC(=O)c1ccc(C(=O)N2CC[C@@H](C)c3cccc([O-])c32)[nH]1 ZINC000334344273 275502591 /nfs/dbraw/zinc/50/25/91/275502591.db2.gz SHKHXCKRAHDARF-SNVBAGLBSA-N -1 3 298.342 3.077 20 0 CGADHM COc1cc(/C=C\C(=O)Nc2ccccc2[O-])ccc1F ZINC000255355612 287864118 /nfs/dbraw/zinc/86/41/18/287864118.db2.gz FBDDNTJZTMJQCN-CLFYSBASSA-N -1 3 287.290 3.192 20 0 CGADHM Cc1cccc(C(=O)N[C@@H](C)c2ccc(F)c(F)c2)c1[O-] ZINC000255951319 287884412 /nfs/dbraw/zinc/88/44/12/287884412.db2.gz GIGQONFLVAZIIX-JTQLQIEISA-N -1 3 291.297 3.470 20 0 CGADHM C[C@@H]1CCN(C(=O)c2cscn2)c2c([O-])cccc21 ZINC000186263430 277749628 /nfs/dbraw/zinc/74/96/28/277749628.db2.gz KJDXDRZLYWPACW-SECBINFHSA-N -1 3 274.345 3.003 20 0 CGADHM Cc1cc(C(=O)N2CCCC[C@@H]2C(C)C)ccc1[O-] ZINC000395760425 288010512 /nfs/dbraw/zinc/01/05/12/288010512.db2.gz LKQUZKWIZWRJNK-CQSZACIVSA-N -1 3 261.365 3.351 20 0 CGADHM COc1cccc(-c2nc(-c3ccc([O-])cc3)no2)c1F ZINC000397352458 288022969 /nfs/dbraw/zinc/02/29/69/288022969.db2.gz CJLIDVGFYSVMQI-UHFFFAOYSA-N -1 3 286.262 3.257 20 0 CGADHM CC1(C)CN(C(=O)c2ccccc2[O-])[C@@H]2CCC[C@H]21 ZINC000294756496 278325023 /nfs/dbraw/zinc/32/50/23/278325023.db2.gz MZAXKVMLSNFSTP-CHWSQXEVSA-N -1 3 259.349 3.043 20 0 CGADHM C[C@H]1CCN(C(=O)C2SCCS2)c2c([O-])cccc21 ZINC000274346066 278357262 /nfs/dbraw/zinc/35/72/62/278357262.db2.gz GDZSSRQKOXAEKK-VIFPVBQESA-N -1 3 295.429 3.039 20 0 CGADHM C[C@@H]1Cc2cc(F)ccc2[C@@H](C)N1Cc1ncccc1[O-] ZINC000515495479 279011867 /nfs/dbraw/zinc/01/18/67/279011867.db2.gz FWLOIKADFMDNLI-VXGBXAGGSA-N -1 3 286.350 3.434 20 0 CGADHM Cc1ccccc1[C@@H](C)N(C)C(=O)c1cccc2[n-]nnc21 ZINC000526115903 288149621 /nfs/dbraw/zinc/14/96/21/288149621.db2.gz DNVSCNQLYMCNPT-GFCCVEGCSA-N -1 3 294.358 3.100 20 0 CGADHM Cc1ccccc1[C@@H](C)N(C)C(=O)c1cccc2nn[n-]c21 ZINC000526115903 288149623 /nfs/dbraw/zinc/14/96/23/288149623.db2.gz DNVSCNQLYMCNPT-GFCCVEGCSA-N -1 3 294.358 3.100 20 0 CGADHM Cc1ccccc1[C@@H](C)N(C)C(=O)c1cccc2n[n-]nc21 ZINC000526115903 288149625 /nfs/dbraw/zinc/14/96/25/288149625.db2.gz DNVSCNQLYMCNPT-GFCCVEGCSA-N -1 3 294.358 3.100 20 0 CGADHM C[C@H]1CCN(C(=O)Cc2ccccc2N)c2c([O-])cccc21 ZINC000334598713 279699695 /nfs/dbraw/zinc/69/96/95/279699695.db2.gz JHDMOLVMHRFCIK-LBPRGKRZSA-N -1 3 296.370 3.057 20 0 CGADHM O=C(NCc1ccc([O-])c(F)c1)N(CC1CC1)C1CCC1 ZINC000527232221 288158895 /nfs/dbraw/zinc/15/88/95/288158895.db2.gz XZCICFMKRHOVHG-UHFFFAOYSA-N -1 3 292.354 3.005 20 0 CGADHM CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[N-]S(=O)(=O)c1ccco1 ZINC000527326461 288166921 /nfs/dbraw/zinc/16/69/21/288166921.db2.gz JPHUXEGSUNTBIZ-AGIUHOORSA-N -1 3 285.409 3.019 20 0 CGADHM O=C(c1cccc([O-])c1)N1CCCC2(CCCC2)C1 ZINC000438694442 280208837 /nfs/dbraw/zinc/20/88/37/280208837.db2.gz WLDBUHYNJSKWQB-UHFFFAOYSA-N -1 3 259.349 3.189 20 0 CGADHM Cc1cc(C(=O)N2CC[C@@H](C)c3cccc([O-])c32)ns1 ZINC000278031790 280333974 /nfs/dbraw/zinc/33/39/74/280333974.db2.gz USODTFSEYLAHJB-SECBINFHSA-N -1 3 288.372 3.311 20 0 CGADHM CC[C@H]1CCN1C(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000293866353 288234941 /nfs/dbraw/zinc/23/49/41/288234941.db2.gz CRFKYDBKWATWPT-NSHDSACASA-N -1 3 288.322 3.012 20 0 CGADHM CCC[C@H](OCC)C(=O)Nc1ccc([O-])cc1Cl ZINC000529521194 288256778 /nfs/dbraw/zinc/25/67/78/288256778.db2.gz QMCHZZAGMLQBJS-LBPRGKRZSA-N -1 3 271.744 3.189 20 0 CGADHM Cc1ccc(C(=O)N2CCC(F)(F)C[C@H]2C)c([O-])c1C ZINC000530010795 288284402 /nfs/dbraw/zinc/28/44/02/288284402.db2.gz JBUPOBZUBGNSAI-SNVBAGLBSA-N -1 3 283.318 3.269 20 0 CGADHM CCc1cc(C(=O)N2CCC(F)(F)C[C@@H]2C)ccc1[O-] ZINC000530012565 288284792 /nfs/dbraw/zinc/28/47/92/288284792.db2.gz YRYAUVLOMIPLPK-JTQLQIEISA-N -1 3 283.318 3.214 20 0 CGADHM CCc1cccc(C(=O)N2CC=C(C(F)(F)F)CC2)c1[O-] ZINC000535326443 288447031 /nfs/dbraw/zinc/44/70/31/288447031.db2.gz PLPILWTXLGRGAJ-UHFFFAOYSA-N -1 3 299.292 3.289 20 0 CGADHM Cc1cccc([O-])c1NC(=O)c1cc2ccccc2n1C ZINC000538951311 288595913 /nfs/dbraw/zinc/59/59/13/288595913.db2.gz GKSRYEUUMNNTCO-UHFFFAOYSA-N -1 3 280.327 3.445 20 0 CGADHM C[C@@H]1C[C@H](C)[C@@H](C(=O)N2CC[C@@H](C)c3cccc([O-])c32)O1 ZINC000282778275 288666050 /nfs/dbraw/zinc/66/60/50/288666050.db2.gz QBKVFKPMZAUFDM-JBBSTSQOSA-N -1 3 289.375 3.046 20 0 CGADHM CC[C@@H](Nc1ccccc1)C(=O)Nc1ccc([O-])cc1F ZINC000541169907 288687210 /nfs/dbraw/zinc/68/72/10/288687210.db2.gz NHPFNJOQYBBYIH-CQSZACIVSA-N -1 3 288.322 3.361 20 0 CGADHM C[C@H]1CN(C(=O)NCc2ccc([O-])c(F)c2)CC(C)(C)C1 ZINC000541483667 288703194 /nfs/dbraw/zinc/70/31/94/288703194.db2.gz ZDXLWOGKBAVAQJ-LLVKDONJSA-N -1 3 294.370 3.109 20 0 CGADHM COc1cccc(C(=O)Nc2cccc3cc[nH]c32)c1[O-] ZINC000547816568 288978012 /nfs/dbraw/zinc/97/80/12/288978012.db2.gz AZXMHJGQLLSHES-UHFFFAOYSA-N -1 3 282.299 3.134 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CCCCC[C@@H]2C)c1 ZINC000548605496 289013039 /nfs/dbraw/zinc/01/30/39/289013039.db2.gz LTGQHBOJTUEDIA-LBPRGKRZSA-N -1 3 261.365 3.359 20 0 CGADHM O=C(Nc1c([O-])cccc1Cl)c1ccnc2ccncc21 ZINC000552434656 289188823 /nfs/dbraw/zinc/18/88/23/289188823.db2.gz UGWJSGDFCWRKPZ-UHFFFAOYSA-N -1 3 299.717 3.241 20 0 CGADHM O=C(Nc1c(O)cccc1Cl)c1ccccc1[O-] ZINC000552433449 289188929 /nfs/dbraw/zinc/18/89/29/289188929.db2.gz JXXFAFRXRBATIS-UHFFFAOYSA-N -1 3 263.680 3.004 20 0 CGADHM CCc1cc(C(=O)N2C[C@H]3CCCC[C@@H]3C2)ccc1[O-] ZINC000553163588 289210764 /nfs/dbraw/zinc/21/07/64/289210764.db2.gz WBLSISFJJIYXHH-HUUCEWRRSA-N -1 3 273.376 3.217 20 0 CGADHM CC(C)n1cc(C=Cc2cc(=O)[n-]c(C3CC3)n2)cn1 ZINC000554391859 289280801 /nfs/dbraw/zinc/28/08/01/289280801.db2.gz SHCIHJMSIUQEHI-UTCJRWHESA-N -1 3 270.336 3.007 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-]c2cccc(C)c2Cl)cn1 ZINC000556799857 289409062 /nfs/dbraw/zinc/40/90/62/289409062.db2.gz NVZUILBJNOKPAE-UHFFFAOYSA-N -1 3 296.779 3.153 20 0 CGADHM C(=Cc1ccccc1)c1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000558891951 289525835 /nfs/dbraw/zinc/52/58/35/289525835.db2.gz MNWHFXQHEJCCDT-TWGQIWQCSA-N -1 3 289.298 3.178 20 0 CGADHM CCC[C@H](CC)S(=O)(=O)[N-]c1ccccc1OC ZINC000562498214 289706803 /nfs/dbraw/zinc/70/68/03/289706803.db2.gz DCCGUJMSEXPWNS-NSHDSACASA-N -1 3 271.382 3.016 20 0 CGADHM CCC[C@H]1CCC[C@H]1C(=O)N=c1cc(-c2cccnc2)[n-][nH]1 ZINC000562519277 289710433 /nfs/dbraw/zinc/71/04/33/289710433.db2.gz UUVGTPKONISFSB-GXTWGEPZSA-N -1 3 298.390 3.049 20 0 CGADHM Cc1cc(C(=O)N2CCC[C@H]3CCCC[C@H]32)ccc1[O-] ZINC000227015164 301098596 /nfs/dbraw/zinc/09/85/96/301098596.db2.gz ODZBHNASPXAESZ-UKRRQHHQSA-N -1 3 273.376 3.495 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CCS[C@@H]3CCCC[C@@H]32)c1 ZINC000175431977 301651304 /nfs/dbraw/zinc/65/13/04/301651304.db2.gz AQEVGDYCTCXZGW-DZGCQCFKSA-N -1 3 291.416 3.201 20 0 CGADHM Cc1cccc2c(=O)c(C(=O)N3CC[C@H](C)[C@H]3C)c[n-]c12 ZINC000164473429 302054091 /nfs/dbraw/zinc/05/40/91/302054091.db2.gz NPMHXRZJOMVFFC-CMPLNLGQSA-N -1 3 284.359 3.119 20 0 CGADHM Cc1occc1C(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000186254140 327686251 /nfs/dbraw/zinc/68/62/51/327686251.db2.gz PZEYEKMVYPSFSX-JTQLQIEISA-N -1 3 271.316 3.448 20 0 CGADHM Cc1ccc(NC(=O)c2cc([O-])ccc2C(F)(F)F)nc1 ZINC000188874885 327761589 /nfs/dbraw/zinc/76/15/89/327761589.db2.gz JTCPXFCXIYYXSK-UHFFFAOYSA-N -1 3 296.248 3.367 20 0 CGADHM COc1cccc(C(=O)Nc2ccc(Cl)cc2[O-])c1F ZINC000156914274 321788259 /nfs/dbraw/zinc/78/82/59/321788259.db2.gz PJALMMVKGUIEPO-UHFFFAOYSA-N -1 3 295.697 3.446 20 0 CGADHM CCc1oc(C(=O)[O-])cc1CN1CC[C@@H](C)C(C)(C)C1 ZINC000563631804 322004924 /nfs/dbraw/zinc/00/49/24/322004924.db2.gz SEBCKCWJWXXVMT-LLVKDONJSA-N -1 3 279.380 3.408 20 0 CGADHM CCS[C@H]1CCCCN(Cc2cc(C)c(C(=O)[O-])o2)C1 ZINC000563816297 322011387 /nfs/dbraw/zinc/01/13/87/322011387.db2.gz ISXNXQYGBSFMFU-ZDUSSCGKSA-N -1 3 297.420 3.394 20 0 CGADHM CCC1(CC)CCN([C@H](C)c2nc(C)cc(=O)[n-]2)C1 ZINC000564285150 322025435 /nfs/dbraw/zinc/02/54/35/322025435.db2.gz FQBJSMBWJKBDHA-GFCCVEGCSA-N -1 3 263.385 3.064 20 0 CGADHM Cc1ccc(SCc2cc(=O)[n-]c(C3CC3)n2)nc1 ZINC000564712985 322039615 /nfs/dbraw/zinc/03/96/15/322039615.db2.gz KKGILQDQAITYGP-UHFFFAOYSA-N -1 3 273.361 3.055 20 0 CGADHM CSC[C@@H]1CCCN1Cc1c(Cl)cccc1C(=O)[O-] ZINC000565106557 322060823 /nfs/dbraw/zinc/06/08/23/322060823.db2.gz LCZJGMCNZHPBNM-JTQLQIEISA-N -1 3 299.823 3.366 20 0 CGADHM CC(C)CO[C@@H](C)C(=O)Nc1c([O-])cccc1Cl ZINC000565202048 322066128 /nfs/dbraw/zinc/06/61/28/322066128.db2.gz YQIQRTZHGUYWRS-VIFPVBQESA-N -1 3 271.744 3.045 20 0 CGADHM CC(C)(C)CC[C@@H](NCc1ccc(F)cc1F)C(=O)[O-] ZINC000565693299 322087003 /nfs/dbraw/zinc/08/70/03/322087003.db2.gz ZIOABIPLMRPJAQ-CYBMUJFWSA-N -1 3 285.334 3.334 20 0 CGADHM CC(=O)c1cccc(NC(=O)[C@H]2C[C@@]2(C)C(C)C)c1[O-] ZINC000566281243 322113790 /nfs/dbraw/zinc/11/37/90/322113790.db2.gz PYLBBKLHTPDLBX-WBMJQRKESA-N -1 3 275.348 3.216 20 0 CGADHM CC(C)(C)c1ccc2c(c1)CN(CC1(C(=O)[O-])CC1)CC2 ZINC000566362189 322118654 /nfs/dbraw/zinc/11/86/54/322118654.db2.gz OTMXDYXZAJRVJA-UHFFFAOYSA-N -1 3 287.403 3.207 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)C[C@@H]2C[C@H]2C)c1[O-] ZINC000566709705 322135345 /nfs/dbraw/zinc/13/53/45/322135345.db2.gz KSRMCOFGYRLCJB-APPZFPTMSA-N -1 3 253.729 3.339 20 0 CGADHM O=C([O-])c1ccoc1CN1CCC[C@@H]1c1cccs1 ZINC000567241596 322155672 /nfs/dbraw/zinc/15/56/72/322155672.db2.gz AOQYICKNLZAAPE-LLVKDONJSA-N -1 3 277.345 3.376 20 0 CGADHM CCN(Cc1ccc(C(=O)[O-])o1)[C@H](C)Cc1ccsc1 ZINC000567280180 322157447 /nfs/dbraw/zinc/15/74/47/322157447.db2.gz SLUZEPWJOLIYIQ-LLVKDONJSA-N -1 3 293.388 3.492 20 0 CGADHM C[C@@H](CC1CCCCC1)c1nc(-c2cc(=O)[n-]cn2)no1 ZINC000567854057 322180243 /nfs/dbraw/zinc/18/02/43/322180243.db2.gz XYEWCGIHGZEGJY-JTQLQIEISA-N -1 3 288.351 3.306 20 0 CGADHM O=C([O-])CCN(Cc1ccc(F)c(F)c1)[C@H]1C=CCCC1 ZINC000568066974 322191632 /nfs/dbraw/zinc/19/16/32/322191632.db2.gz IWLHVTNHCZQVFE-ZDUSSCGKSA-N -1 3 295.329 3.350 20 0 CGADHM Cc1cc(C)cc(CN(C)Cc2nc(C)ccc2[O-])c1 ZINC000568161016 322194949 /nfs/dbraw/zinc/19/49/49/322194949.db2.gz MOTBSKGMACNIGB-UHFFFAOYSA-N -1 3 270.376 3.344 20 0 CGADHM CC1(C)CN(c2ccncc2C(=O)[O-])Cc2ccccc21 ZINC000568637725 322216799 /nfs/dbraw/zinc/21/67/99/322216799.db2.gz ZTNAGKHDROZWRD-UHFFFAOYSA-N -1 3 282.343 3.078 20 0 CGADHM CC(C)(CC(=O)[O-])NCc1c(Cl)oc2ccccc21 ZINC000568649251 322217335 /nfs/dbraw/zinc/21/73/35/322217335.db2.gz KAYMOKWJDNWGMS-UHFFFAOYSA-N -1 3 281.739 3.429 20 0 CGADHM Cc1cccc(C(=O)Nc2ccc([C@@H]3CCOC3)cc2)c1[O-] ZINC000569025303 322232091 /nfs/dbraw/zinc/23/20/91/322232091.db2.gz SUFHGLRRBIPOMT-CQSZACIVSA-N -1 3 297.354 3.457 20 0 CGADHM CCC(=O)c1ccc(-c2nc3ccc(F)cc3c(=O)[n-]2)cc1 ZINC000569423503 322246619 /nfs/dbraw/zinc/24/66/19/322246619.db2.gz VXAXHYRTSOZDER-UHFFFAOYSA-N -1 3 296.301 3.322 20 0 CGADHM C[C@H]1CC(C)(C)CN1Cc1ccc(F)cc1C(=O)[O-] ZINC000569733909 322255528 /nfs/dbraw/zinc/25/55/28/322255528.db2.gz SXYRDSXRJGCPAD-JTQLQIEISA-N -1 3 265.328 3.144 20 0 CGADHM Cn1ccc2cccc(NCc3cc(=O)[n-]c(C4CC4)n3)c21 ZINC000569945946 322261426 /nfs/dbraw/zinc/26/14/26/322261426.db2.gz ZPFNWXOQISSDOT-UHFFFAOYSA-N -1 3 294.358 3.163 20 0 CGADHM C[C@]12CCN(Cc3ccc(F)cc3C(=O)[O-])C[C@H]1C2(F)F ZINC000570295136 322270061 /nfs/dbraw/zinc/27/00/61/322270061.db2.gz ZWEMPCCUEYBFNU-OCCSQVGLSA-N -1 3 299.292 3.001 20 0 CGADHM O=C(Nc1cccc(C2CCC2)c1)c1cccc2nn[n-]c21 ZINC000570883034 322284448 /nfs/dbraw/zinc/28/44/48/322284448.db2.gz BVPTYCSRZWEVIM-UHFFFAOYSA-N -1 3 292.342 3.478 20 0 CGADHM O=C(Nc1cccc(C2CCC2)c1)c1cccc2[n-]nnc21 ZINC000570883034 322284450 /nfs/dbraw/zinc/28/44/50/322284450.db2.gz BVPTYCSRZWEVIM-UHFFFAOYSA-N -1 3 292.342 3.478 20 0 CGADHM O=C(Nc1cccc(C2CCC2)c1)c1cccc2n[n-]nc21 ZINC000570883034 322284452 /nfs/dbraw/zinc/28/44/52/322284452.db2.gz BVPTYCSRZWEVIM-UHFFFAOYSA-N -1 3 292.342 3.478 20 0 CGADHM CCC[C@H](C(=O)[O-])N(C)Cc1cc(Cl)ccc1F ZINC000572006545 322315502 /nfs/dbraw/zinc/31/55/02/322315502.db2.gz HOYHYBUAKLAMHM-GFCCVEGCSA-N -1 3 273.735 3.164 20 0 CGADHM CC(C)(C)CCS(=O)(=O)[N-]c1cccc2cc[nH]c21 ZINC000572055022 322317656 /nfs/dbraw/zinc/31/76/56/322317656.db2.gz CYBGOQWRQXEBKQ-UHFFFAOYSA-N -1 3 280.393 3.346 20 0 CGADHM [O-]c1ccccc1-c1nc(CSC2CCC2)no1 ZINC000572213552 322325041 /nfs/dbraw/zinc/32/50/41/322325041.db2.gz KDHIWCCGWBTXJH-UHFFFAOYSA-N -1 3 262.334 3.228 20 0 CGADHM C[C@@H]1CC[C@@H](NC(=O)c2c[n-]nc2-c2ccccn2)[C@H](C)C1 ZINC000573611904 322397134 /nfs/dbraw/zinc/39/71/34/322397134.db2.gz UOZGZCMZZZDBNO-YRGRVCCFSA-N -1 3 298.390 3.026 20 0 CGADHM CC1(CC(=O)N=c2cc3ccccn3[n-]2)CCCCC1 ZINC000573871544 322411534 /nfs/dbraw/zinc/41/15/34/322411534.db2.gz ZZBUQMLHKNWKSA-UHFFFAOYSA-N -1 3 271.364 3.055 20 0 CGADHM O=c1cc(CNc2ccc3ccoc3c2)nc(C2CC2)[n-]1 ZINC000574023697 322419717 /nfs/dbraw/zinc/41/97/17/322419717.db2.gz KGAJHTWXSPSENE-UHFFFAOYSA-N -1 3 281.315 3.418 20 0 CGADHM CCCc1coc([N-]C(=O)c2cc(CSCC)on2)n1 ZINC000575879444 322494651 /nfs/dbraw/zinc/49/46/51/322494651.db2.gz VCENBQOBZPWFCF-UHFFFAOYSA-N -1 3 295.364 3.121 20 0 CGADHM C[C@@H]1CCCN1[C@@H](C(=O)[O-])c1ccccc1C(F)(F)F ZINC000584118770 327042945 /nfs/dbraw/zinc/04/29/45/327042945.db2.gz LBOUJHIJWDUIIF-BXKDBHETSA-N -1 3 287.281 3.315 20 0 CGADHM CC(=O)c1ccc(C(=O)N[C@@H]2CC23CCCCC3)cc1[O-] ZINC000583368074 327325297 /nfs/dbraw/zinc/32/52/97/327325297.db2.gz WGTVKUQFWWKAJZ-OAHLLOKOSA-N -1 3 287.359 3.047 20 0 CGADHM CCOC1(C)CCN(Cc2cc(C(=O)[O-])sc2C)CC1 ZINC000394044685 329096026 /nfs/dbraw/zinc/09/60/26/329096026.db2.gz IENIUPGAIQOMCF-UHFFFAOYSA-N -1 3 297.420 3.146 20 0 CGADHM Cc1oc(CN(C)[C@@H]2C[C@@H]2c2ccccc2)cc1C(=O)[O-] ZINC000582737569 329134356 /nfs/dbraw/zinc/13/43/56/329134356.db2.gz JRVHKHRIIFMZKS-HZPDHXFCSA-N -1 3 285.343 3.274 20 0 CGADHM CCc1cccc2c1N(C(=O)c1cccc([O-])c1)CC2 ZINC000582864636 329278314 /nfs/dbraw/zinc/27/83/14/329278314.db2.gz JKTFODZHNJRRET-UHFFFAOYSA-N -1 3 267.328 3.158 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])c1cc(F)cc(F)c1 ZINC000174885771 335168743 /nfs/dbraw/zinc/16/87/43/335168743.db2.gz FWEVSYRVJJXXKS-UHFFFAOYSA-N -1 3 267.206 3.062 20 0 CGADHM Cc1cccc(CC(=O)Nc2cc(F)ccc2[O-])c1 ZINC000174905040 335169244 /nfs/dbraw/zinc/16/92/44/335169244.db2.gz LQCAFHHKJRMARW-UHFFFAOYSA-N -1 3 259.280 3.021 20 0 CGADHM CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccccc1[O-] ZINC000175008265 335171259 /nfs/dbraw/zinc/17/12/59/335171259.db2.gz ZETCTDNRKLZLHN-MRXNPFEDSA-N -1 3 285.343 3.497 20 0 CGADHM O=C(Cc1ccccc1F)Nc1ccc(Cl)cc1[O-] ZINC000153621480 334674919 /nfs/dbraw/zinc/67/49/19/334674919.db2.gz SPDDLPIBLJLMNX-UHFFFAOYSA-N -1 3 279.698 3.366 20 0 CGADHM O=C(CCc1ccoc1)Nc1cc(Cl)ccc1[O-] ZINC000175538111 335187371 /nfs/dbraw/zinc/18/73/71/335187371.db2.gz RMXAWVCGLBBMMK-UHFFFAOYSA-N -1 3 265.696 3.210 20 0 CGADHM C[C@@H](NCc1nc(C2CCCCC2)cs1)[C@H](C)C(=O)[O-] ZINC000576643395 335229976 /nfs/dbraw/zinc/22/99/76/335229976.db2.gz UBKPOHLMOVBXMF-WDEREUQCSA-N -1 3 296.436 3.390 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCC[C@@]3(CC=CCC3)C2)n1 ZINC000192592572 335280563 /nfs/dbraw/zinc/28/05/63/335280563.db2.gz ADXCVBUIVHHJRN-PBHICJAKSA-N -1 3 287.407 3.374 20 0 CGADHM Cc1ccnc([C@@H]2CCN(C(=O)c3cccc(C)c3[O-])C2)c1 ZINC000577232231 335327828 /nfs/dbraw/zinc/32/78/28/335327828.db2.gz XLAFMUPRWIXZGI-CQSZACIVSA-N -1 3 296.370 3.034 20 0 CGADHM CCC[C@@H]1CCCC[C@H]1NC(=O)c1cccc(OC)c1[O-] ZINC000577477212 335356646 /nfs/dbraw/zinc/35/66/46/335356646.db2.gz RUNPOSNYELRQAB-TZMCWYRMSA-N -1 3 291.391 3.490 20 0 CGADHM CC[C@H]1CCN([C@H](C)c2cc(C(=O)[O-])c(C)o2)C1 ZINC000577500088 335360205 /nfs/dbraw/zinc/36/02/05/335360205.db2.gz OCRVTTLWFGEVEE-KOLCDFICSA-N -1 3 251.326 3.079 20 0 CGADHM CCCC[C@H](C(=O)[O-])N1CCC[C@H]1c1ccc(C)o1 ZINC000577521690 335364461 /nfs/dbraw/zinc/36/44/61/335364461.db2.gz NIHRWRCDGLGDGV-QWHCGFSZSA-N -1 3 265.353 3.368 20 0 CGADHM Cc1cccc([O-])c1NC(=O)c1ccc(Br)o1 ZINC000179552203 335500351 /nfs/dbraw/zinc/50/03/51/335500351.db2.gz YOTGEVUEZFNCSR-UHFFFAOYSA-N -1 3 296.120 3.308 20 0 CGADHM Cc1cccc([O-])c1NC(=O)c1cccc(F)c1F ZINC000179555761 335500358 /nfs/dbraw/zinc/50/03/58/335500358.db2.gz CLJZLWLLZBWPTB-UHFFFAOYSA-N -1 3 263.243 3.231 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])c1cc(F)c(F)c(F)c1 ZINC000179646256 335505433 /nfs/dbraw/zinc/50/54/33/335505433.db2.gz AKDICKOVNSOCDD-UHFFFAOYSA-N -1 3 285.196 3.201 20 0 CGADHM CCc1cccc(S(=O)(=O)[N-]c2cccc(C)c2F)c1 ZINC000180024177 335542098 /nfs/dbraw/zinc/54/20/98/335542098.db2.gz CKGBYZVCECKYGD-UHFFFAOYSA-N -1 3 293.363 3.497 20 0 CGADHM [O-]c1cccc(/C=C/c2nc(-c3cncs3)no2)c1 ZINC000350912600 335547484 /nfs/dbraw/zinc/54/74/84/335547484.db2.gz YACJQMLREOYVHP-SNAWJCMRSA-N -1 3 271.301 3.069 20 0 CGADHM O=C([N-]c1c(F)cc(Cl)cc1F)c1ccoc1 ZINC000180365956 335577121 /nfs/dbraw/zinc/57/71/21/335577121.db2.gz RYBZWHXJSSVHFX-UHFFFAOYSA-N -1 3 257.623 3.464 20 0 CGADHM C[C@H]1CC[C@H](C(=O)N2CCCc3cccc([O-])c32)CC1 ZINC000579483444 335770807 /nfs/dbraw/zinc/77/08/07/335770807.db2.gz OXLORWAEAHMSSP-MQMHXKEQSA-N -1 3 273.376 3.498 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CCc3ccc(F)cc32)c1 ZINC000195452859 336054333 /nfs/dbraw/zinc/05/43/33/336054333.db2.gz RRQPPKRFZKNBDP-UHFFFAOYSA-N -1 3 285.318 3.297 20 0 CGADHM O=C([O-])c1ccc2c(c1)CN(C[C@H]1CCCC1(F)F)CC2 ZINC000382078172 336081426 /nfs/dbraw/zinc/08/14/26/336081426.db2.gz HUKSPRPLHWFGIG-CQSZACIVSA-N -1 3 295.329 3.178 20 0 CGADHM CC[C@H](NC(=O)c1ccc([O-])c(C)c1)C1CCCC1 ZINC000382866396 336098425 /nfs/dbraw/zinc/09/84/25/336098425.db2.gz MQYVDKHZBSTENH-AWEZNQCLSA-N -1 3 261.365 3.399 20 0 CGADHM C[C@H](CN(C)Cc1ccsc1C(=O)[O-])c1nccs1 ZINC000581829743 336148954 /nfs/dbraw/zinc/14/89/54/336148954.db2.gz IUSJYSYUPKUENJ-SECBINFHSA-N -1 3 296.417 3.138 20 0 CGADHM COc1ccc(C(=O)N[C@@H](C)CCC(C)(C)C)c([O-])c1 ZINC000386250363 336168907 /nfs/dbraw/zinc/16/89/07/336168907.db2.gz IOJCCXZRZJJQIG-NSHDSACASA-N -1 3 279.380 3.345 20 0 CGADHM C[C@@H](CCC(C)(C)C)NC(=O)c1c([O-])cccc1O ZINC000386264457 336169528 /nfs/dbraw/zinc/16/95/28/336169528.db2.gz NLINACBFAWOAIQ-JTQLQIEISA-N -1 3 265.353 3.042 20 0 CGADHM C[C@H](CCC(C)(C)C)NC(=O)c1ccc(O)cc1[O-] ZINC000386289666 336170330 /nfs/dbraw/zinc/17/03/30/336170330.db2.gz SPKHXSRECAOBCI-SNVBAGLBSA-N -1 3 265.353 3.042 20 0 CGADHM CCOCCCC(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000081458952 521696456 /nfs/dbraw/zinc/69/64/56/521696456.db2.gz KTWSRQBXIHNGBL-UHFFFAOYSA-N -1 3 291.269 3.166 20 0 CGADHM CCc1cccc(NC([O-])=NOC/C=C/Cl)c1 ZINC000289545259 521765006 /nfs/dbraw/zinc/76/50/06/521765006.db2.gz PPVOZJAESPYPHH-QPJJXVBHSA-N -1 3 254.717 3.055 20 0 CGADHM CCc1cccc(NC(=O)[N-]OC/C=C/Cl)c1 ZINC000289545259 521765016 /nfs/dbraw/zinc/76/50/16/521765016.db2.gz PPVOZJAESPYPHH-QPJJXVBHSA-N -1 3 254.717 3.055 20 0 CGADHM C[C@H](CC(F)(F)F)C(=O)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000411461100 533736643 /nfs/dbraw/zinc/73/66/43/533736643.db2.gz VZHSLDBDWMAYCM-SECBINFHSA-N -1 3 297.280 3.026 20 0 CGADHM COc1ccccc1/C=C/CN[C@@H](C(=O)[O-])c1ccccc1 ZINC000426800410 533950202 /nfs/dbraw/zinc/95/02/02/533950202.db2.gz NPZVOCLRACVBTG-VDZSZVPASA-N -1 3 297.354 3.124 20 0 CGADHM CS[C@H](C)CCC(=O)Nc1cc(F)ccc1[O-] ZINC000358695029 534041968 /nfs/dbraw/zinc/04/19/68/534041968.db2.gz GHFTZBYNWCBFBA-MRVPVSSYSA-N -1 3 257.330 3.002 20 0 CGADHM Cc1ccc2c(c1)CC[C@H]2NC(=O)c1ccc([O-])c(C)c1 ZINC000436924413 534418965 /nfs/dbraw/zinc/41/89/65/534418965.db2.gz GXBXYHDELIOABB-MRXNPFEDSA-N -1 3 281.355 3.426 20 0 CGADHM Cc1ccc2c(c1)CN(C(=O)c1cccc(C)c1[O-])CCO2 ZINC000436657379 534424397 /nfs/dbraw/zinc/42/43/97/534424397.db2.gz LMVNBNVNDZFYPO-UHFFFAOYSA-N -1 3 297.354 3.044 20 0 CGADHM CCO[N-]C(=O)CC1(CSc2ccccc2)CC1 ZINC000184036762 520227203 /nfs/dbraw/zinc/22/72/03/520227203.db2.gz NPPKEPCPIBKBRB-UHFFFAOYSA-N -1 3 265.378 3.017 20 0 CGADHM CCO[N-]C(=O)Nc1cc(Cl)ccc1SC ZINC000183970295 520234037 /nfs/dbraw/zinc/23/40/37/520234037.db2.gz BVEMSVBGEKUOLK-UHFFFAOYSA-N -1 3 260.746 3.135 20 0 CGADHM O=C([O-])[C@@H](CC1CCCC1)NCc1cc(F)ccc1F ZINC000426716354 534512552 /nfs/dbraw/zinc/51/25/52/534512552.db2.gz LQWBCDBNBZZZSC-CQSZACIVSA-N -1 3 283.318 3.088 20 0 CGADHM O=C([O-])[C@H](NCc1cccc2[nH]ccc21)c1ccccc1F ZINC000426766790 534531642 /nfs/dbraw/zinc/53/16/42/534531642.db2.gz GXWFIJATGCWZCY-MRXNPFEDSA-N -1 3 298.317 3.223 20 0 CGADHM CCCN(CC(=O)[O-])[C@@H](C)c1ccccc1Cl ZINC000086775777 521561807 /nfs/dbraw/zinc/56/18/07/521561807.db2.gz GGGQHLBFDXVXTH-JTQLQIEISA-N -1 3 255.745 3.198 20 0 CGADHM CCC1(CC)CCN(C(=O)c2ccc(OC)cc2[O-])C1 ZINC000094803782 521686441 /nfs/dbraw/zinc/68/64/41/521686441.db2.gz VCWFCBIOCNKLKM-UHFFFAOYSA-N -1 3 277.364 3.053 20 0 CGADHM CCC1(CC)CCN(C(=O)c2cccc(OC)c2[O-])C1 ZINC000094803794 521686863 /nfs/dbraw/zinc/68/68/63/521686863.db2.gz UDJCMIHPIIBDSM-UHFFFAOYSA-N -1 3 277.364 3.053 20 0 CGADHM Cc1cccc(C(=O)Nc2c[nH]nc2-c2ccccc2)c1[O-] ZINC000178506189 534623644 /nfs/dbraw/zinc/62/36/44/534623644.db2.gz XULLVWDPJAPFAG-UHFFFAOYSA-N -1 3 293.326 3.343 20 0 CGADHM CC[C@H]1CCCC[C@H]1OCC(=O)Nc1ccccc1[O-] ZINC000184494718 523066467 /nfs/dbraw/zinc/06/64/67/523066467.db2.gz SHNQEMXMLCBQNI-SWLSCSKDSA-N -1 3 277.364 3.316 20 0 CGADHM Cc1cccc(C(=O)N2CCC[C@H]2C2CCC2)c1[O-] ZINC000102900094 524177709 /nfs/dbraw/zinc/17/77/09/524177709.db2.gz SKQVOSGYRHHMPU-AWEZNQCLSA-N -1 3 259.349 3.105 20 0 CGADHM C[C@H](N(C)C(=O)Cc1ccc([O-])cc1Cl)C1(C)CC1 ZINC000158115724 524810893 /nfs/dbraw/zinc/81/08/93/524810893.db2.gz IPCZSWCXWDQVMV-JTQLQIEISA-N -1 3 281.783 3.235 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CCC[C@@H]2C2CCC2)c1 ZINC000094105876 525332998 /nfs/dbraw/zinc/33/29/98/525332998.db2.gz XWABMUALYRUSMJ-CQSZACIVSA-N -1 3 259.349 3.105 20 0 CGADHM CN(Cc1ccc(Cl)s1)C(=O)c1c([O-])cccc1O ZINC000125580654 536469721 /nfs/dbraw/zinc/46/97/21/536469721.db2.gz KOBUMYOCVLWIGA-UHFFFAOYSA-N -1 3 297.763 3.085 20 0 CGADHM O=C(Nc1cc(Cc2ccccc2)ccc1[O-])[C@@H]1CCCO1 ZINC000081459846 527108554 /nfs/dbraw/zinc/10/85/54/527108554.db2.gz WRRWVBPCIUNGST-KRWDZBQOSA-N -1 3 297.354 3.101 20 0 CGADHM CC(=O)c1ccc(C(=O)N2CCC[C@@H](C(C)C)C2)cc1[O-] ZINC000412269111 527240845 /nfs/dbraw/zinc/24/08/45/527240845.db2.gz LFODKLUYMONLNY-CQSZACIVSA-N -1 3 289.375 3.103 20 0 CGADHM CC(=O)c1ccc(C(=O)N[C@H](C)CCC(C)C)cc1[O-] ZINC000436867933 527264632 /nfs/dbraw/zinc/26/46/32/527264632.db2.gz GGBPTUOPLCDKGN-LLVKDONJSA-N -1 3 277.364 3.149 20 0 CGADHM O=[S@@](Cc1cccc(Cl)c1)c1ccc([O-])cc1 ZINC000108086419 527422222 /nfs/dbraw/zinc/42/22/22/527422222.db2.gz UAQODEXFDNYHSC-QGZVFWFLSA-N -1 3 266.749 3.353 20 0 CGADHM CC(C)=CCC[C@H](C)NC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000412387409 527425167 /nfs/dbraw/zinc/42/51/67/527425167.db2.gz WKAIKVXILIMXRL-LBPRGKRZSA-N -1 3 289.375 3.460 20 0 CGADHM CC(C)(C)CCC1(O)CC(C(=O)Nc2ccccc2[O-])C1 ZINC000448759626 527655056 /nfs/dbraw/zinc/65/50/56/527655056.db2.gz DNLHWWZYFKSCRQ-UHFFFAOYSA-N -1 3 291.391 3.298 20 0 CGADHM CC(C)[C@H]1CCCN(C(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000436270627 527772388 /nfs/dbraw/zinc/77/23/88/527772388.db2.gz NYGCFIFIIVXXQT-ZDUSSCGKSA-N -1 3 294.370 3.109 20 0 CGADHM CC(C)[C@H]1CCC[C@H](NC(=O)Cc2ccc([O-])c(F)c2)C1 ZINC000448911139 527790668 /nfs/dbraw/zinc/79/06/68/527790668.db2.gz OOATYLYJWSLYNX-KBPBESRZSA-N -1 3 293.382 3.405 20 0 CGADHM CCC1([N-]S(=O)(=O)c2ccc(Cl)cc2F)CCC1 ZINC000358853816 527802590 /nfs/dbraw/zinc/80/25/90/527802590.db2.gz FPPLRZKDNXOACI-UHFFFAOYSA-N -1 3 291.775 3.090 20 0 CGADHM CC1([C@@H](NCc2cc(F)ccc2F)C(=O)[O-])CCCCC1 ZINC000426733516 528049349 /nfs/dbraw/zinc/04/93/49/528049349.db2.gz YGEJXWYYMDDHGB-AWEZNQCLSA-N -1 3 297.345 3.478 20 0 CGADHM CC(C)c1ccc(C(=O)NCCOC2CCCC2)c([O-])c1 ZINC000436684090 528069609 /nfs/dbraw/zinc/06/96/09/528069609.db2.gz XKHQSZNVMWWXPV-UHFFFAOYSA-N -1 3 291.391 3.205 20 0 CGADHM CC(C)c1ccc(C(=O)NCc2ccc(O)cc2)c([O-])c1 ZINC000436654975 528073878 /nfs/dbraw/zinc/07/38/78/528073878.db2.gz BJAGAOKDZJAAFR-UHFFFAOYSA-N -1 3 285.343 3.151 20 0 CGADHM CC(C)c1ccc(C(=O)N[C@@H](C)Cc2ccncc2)c([O-])c1 ZINC000436573535 528076263 /nfs/dbraw/zinc/07/62/63/528076263.db2.gz IJYALHIBDUTYBJ-ZDUSSCGKSA-N -1 3 298.386 3.272 20 0 CGADHM CC(C)c1ccc(C(=O)N[C@@H]2C[C@H]2C2CC2)c([O-])c1 ZINC000436999366 528077455 /nfs/dbraw/zinc/07/74/55/528077455.db2.gz LBHPCSAHDZZCBQ-UONOGXRCSA-N -1 3 259.349 3.044 20 0 CGADHM CC(C)c1ccc(C(=O)N[C@H](C)[C@H]2CCCCO2)c([O-])c1 ZINC000436878707 528077532 /nfs/dbraw/zinc/07/75/32/528077532.db2.gz HEODADUPVXKOIN-MLGOLLRUSA-N -1 3 291.391 3.203 20 0 CGADHM CC(C)c1cnc(NCc2nnc(C(F)(F)F)[n-]2)s1 ZINC000359694225 528225014 /nfs/dbraw/zinc/22/50/14/528225014.db2.gz ICILCICUWSHTED-UHFFFAOYSA-N -1 3 291.302 3.016 20 0 CGADHM CC(C)c1cnc(NCc2n[n-]c(C(F)(F)F)n2)s1 ZINC000359694225 528225020 /nfs/dbraw/zinc/22/50/20/528225020.db2.gz ICILCICUWSHTED-UHFFFAOYSA-N -1 3 291.302 3.016 20 0 CGADHM CC(C)c1cnc(NCc2nc(C(F)(F)F)n[n-]2)s1 ZINC000359694225 528225025 /nfs/dbraw/zinc/22/50/25/528225025.db2.gz ICILCICUWSHTED-UHFFFAOYSA-N -1 3 291.302 3.016 20 0 CGADHM CCOc1ccc(CNC(=O)c2cccc(C)c2[O-])cc1 ZINC000436760626 528454835 /nfs/dbraw/zinc/45/48/35/528454835.db2.gz QUXQWNXRCPFWTC-UHFFFAOYSA-N -1 3 285.343 3.029 20 0 CGADHM CC(C)[C@@H](CNC(=O)c1ccccc1[O-])Nc1ccccc1 ZINC000436856822 528461896 /nfs/dbraw/zinc/46/18/96/528461896.db2.gz UXQWAQYXJBUPID-MRXNPFEDSA-N -1 3 298.386 3.259 20 0 CGADHM CCCCOc1ccc(C(=O)N[C@@H]2CC[C@H](F)C2)c([O-])c1 ZINC000436743979 528666726 /nfs/dbraw/zinc/66/67/26/528666726.db2.gz ILJNHCGWXGJGQO-NWDGAFQWSA-N -1 3 295.354 3.192 20 0 CGADHM CCCCOc1ccc(C(=O)N[C@H]2[C@@H]3CCC[C@@H]32)c([O-])c1 ZINC000436819127 528668006 /nfs/dbraw/zinc/66/80/06/528668006.db2.gz CNOWIUQJWKXIDY-VIKVFOODSA-N -1 3 289.375 3.099 20 0 CGADHM CC(C)[C@@H]1CCC[C@H](NC(=O)c2c([O-])cccc2O)C1 ZINC000436646087 528688817 /nfs/dbraw/zinc/68/88/17/528688817.db2.gz FFFZZODJMLFODQ-NEPJUHHUSA-N -1 3 277.364 3.042 20 0 CGADHM CCOc1ccccc1CN(C)C(=O)c1ccc(C)cc1[O-] ZINC000436674863 528723257 /nfs/dbraw/zinc/72/32/57/528723257.db2.gz TVBLSTIBUAIKJV-UHFFFAOYSA-N -1 3 299.370 3.372 20 0 CGADHM CCCC[C@H]1CCC[C@H]1NC(=O)c1ccc([O-])c(OC)c1 ZINC000436636493 529005125 /nfs/dbraw/zinc/00/51/25/529005125.db2.gz YRHCICFGGRRYKY-GXTWGEPZSA-N -1 3 291.391 3.490 20 0 CGADHM CC[C@H](C)[C@H]1CCCCN1C(=O)c1ccc(OC)cc1[O-] ZINC000436534907 529266882 /nfs/dbraw/zinc/26/68/82/529266882.db2.gz JAVIWVFLOJYXDG-SWLSCSKDSA-N -1 3 291.391 3.442 20 0 CGADHM CC[C@@H](C)CC(=O)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000357799355 529306402 /nfs/dbraw/zinc/30/64/02/529306402.db2.gz USYQCCBXCTULEZ-SECBINFHSA-N -1 3 293.317 3.152 20 0 CGADHM CC[C@H](CNCc1ncc(C(C)(C)C)s1)CC(=O)[O-] ZINC000417566959 529361968 /nfs/dbraw/zinc/36/19/68/529361968.db2.gz NWQCUSZMIUEOSN-JTQLQIEISA-N -1 3 284.425 3.031 20 0 CGADHM CC(C)(C)[C@H]1C[C@@H](NCc2c(F)ccc([O-])c2F)CCO1 ZINC000293739664 535099430 /nfs/dbraw/zinc/09/94/30/535099430.db2.gz XAJUAPZUFQNBQY-IINYFYTJSA-N -1 3 299.361 3.354 20 0 CGADHM CC(C)[C@@H]1[C@@H](C(C)C)CN1C(=O)c1cccc([O-])c1 ZINC000456308918 535303661 /nfs/dbraw/zinc/30/36/61/535303661.db2.gz YXIUCTIPMKFWRH-HUUCEWRRSA-N -1 3 261.365 3.145 20 0 CGADHM CCc1cc(C(=O)N2CCc3cc(F)ccc3C2)ccc1[O-] ZINC000486971706 536115370 /nfs/dbraw/zinc/11/53/70/536115370.db2.gz SFZXIVYSQDFSNO-UHFFFAOYSA-N -1 3 299.345 3.292 20 0 CGADHM CC[C@@H]1CCCN1Cn1[n-]c(C(C)(C)C)nc1=S ZINC000727824769 571771530 /nfs/dbraw/zinc/77/15/30/571771530.db2.gz RIKZAFPZASWZIZ-SNVBAGLBSA-N -1 3 268.430 3.070 20 0 CGADHM CC[C@H](c1ccc(F)cc1)N1CCC(N(C)C(=O)[O-])CC1 ZINC000737782357 571797768 /nfs/dbraw/zinc/79/77/68/571797768.db2.gz FNWWJAJRDOSTFY-OAHLLOKOSA-N -1 3 294.370 3.351 20 0 CGADHM CC[C@H](c1ccc(F)cc1)N1CCC[C@@H](NC(=O)[O-])C1 ZINC000737784556 571810682 /nfs/dbraw/zinc/81/06/82/571810682.db2.gz VRSJADDJALWZIQ-ZIAGYGMSSA-N -1 3 280.343 3.009 20 0 CGADHM CO[C@H]1CCC[C@@H](OC(=O)c2cc3ccsc3[n-]2)C1 ZINC000729078262 571866396 /nfs/dbraw/zinc/86/63/96/571866396.db2.gz BRSNCCFJVFASMF-WDEREUQCSA-N -1 3 279.361 3.344 20 0 CGADHM CC(C)C[C@@H](C)OC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000729081583 571868899 /nfs/dbraw/zinc/86/88/99/571868899.db2.gz JTFBXYBFRSJLDN-SNVBAGLBSA-N -1 3 262.309 3.261 20 0 CGADHM CC(C)C[C@@H](C)OC(=O)c1cc(-c2ccco2)[n-]n1 ZINC000729081583 571868901 /nfs/dbraw/zinc/86/89/01/571868901.db2.gz JTFBXYBFRSJLDN-SNVBAGLBSA-N -1 3 262.309 3.261 20 0 CGADHM CCN(C(=O)c1cc2occc2[n-]1)c1ccc(OC)cc1 ZINC000750842846 572329475 /nfs/dbraw/zinc/32/94/75/572329475.db2.gz BWFYJUODIZKMQE-UHFFFAOYSA-N -1 3 284.315 3.436 20 0 CGADHM O=C(Nc1ccc2c(c1)CCCO2)c1cc2occc2[n-]1 ZINC000750864373 572330369 /nfs/dbraw/zinc/33/03/69/572330369.db2.gz KTJXAOJPWLTENL-UHFFFAOYSA-N -1 3 282.299 3.338 20 0 CGADHM C[C@H]1CN(C(=O)c2cc3occc3[n-]2)c2ccccc2O1 ZINC000750878300 572331369 /nfs/dbraw/zinc/33/13/69/572331369.db2.gz FSZIZFCJEDHSSH-JTQLQIEISA-N -1 3 282.299 3.189 20 0 CGADHM Cc1ccc(NCc2ccc(-c3nnn[n-]3)cc2)c(Cl)c1 ZINC000737362821 572338949 /nfs/dbraw/zinc/33/89/49/572338949.db2.gz YLSZVZFINSXCQC-UHFFFAOYSA-N -1 3 299.765 3.441 20 0 CGADHM Cc1ccc(NCc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC000737362821 572338952 /nfs/dbraw/zinc/33/89/52/572338952.db2.gz YLSZVZFINSXCQC-UHFFFAOYSA-N -1 3 299.765 3.441 20 0 CGADHM O=[S@](Cc1ccc(Cl)s1)c1ccc([O-])cc1 ZINC000730941381 572386790 /nfs/dbraw/zinc/38/67/90/572386790.db2.gz WLUHKVFAVFSHOL-MRXNPFEDSA-N -1 3 272.778 3.415 20 0 CGADHM CC(C)(C)c1ccc(CN2CC[C@H](CNC(=O)[O-])C2)cc1 ZINC000738731895 572390067 /nfs/dbraw/zinc/39/00/67/572390067.db2.gz SHJLSTJMIZPYTE-CQSZACIVSA-N -1 3 290.407 3.074 20 0 CGADHM C[C@@H](CCNCc1ccc(-c2ccccc2)o1)NC(=O)[O-] ZINC000738903966 572396769 /nfs/dbraw/zinc/39/67/69/572396769.db2.gz HTHZWFFYIAKCKJ-LBPRGKRZSA-N -1 3 288.347 3.082 20 0 CGADHM C[C@@H](NC1CCC(NC(=O)[O-])CC1)c1ccc(F)cc1F ZINC000739032114 572411946 /nfs/dbraw/zinc/41/19/46/572411946.db2.gz IJSNUUSAZRWYLB-OIKLOGQESA-N -1 3 298.333 3.194 20 0 CGADHM Cc1ccc([C@H]2CCCCN2C[C@@H]2CCN(C(=O)[O-])C2)o1 ZINC000740116601 572433014 /nfs/dbraw/zinc/43/30/14/572433014.db2.gz BECYLRXZCPSSTF-UONOGXRCSA-N -1 3 292.379 3.115 20 0 CGADHM O=C([O-])N1CCC[C@H](CN2CCCC[C@@H]2c2ccco2)C1 ZINC000740512572 572443770 /nfs/dbraw/zinc/44/37/70/572443770.db2.gz QBQAEFDDFNAUET-ZIAGYGMSSA-N -1 3 292.379 3.197 20 0 CGADHM CCON=C([O-])Nc1nc(C)c(-c2ccccc2)s1 ZINC000726876373 572604242 /nfs/dbraw/zinc/60/42/42/572604242.db2.gz PYSQOFHHZIMYSQ-UHFFFAOYSA-N -1 3 277.349 3.192 20 0 CGADHM CCO[N-]C(=O)Nc1nc(C)c(-c2ccccc2)s1 ZINC000726876373 572604247 /nfs/dbraw/zinc/60/42/47/572604247.db2.gz PYSQOFHHZIMYSQ-UHFFFAOYSA-N -1 3 277.349 3.192 20 0 CGADHM Cc1nsc([N-]C(=O)c2cc3c(cccc3F)s2)n1 ZINC000742829476 572620636 /nfs/dbraw/zinc/62/06/36/572620636.db2.gz PBLRTUZUEQABGI-UHFFFAOYSA-N -1 3 293.348 3.453 20 0 CGADHM Cc1ccc([C@@H](C)C(=O)Nc2ccc(C)cc2[O-])o1 ZINC000743288918 572646124 /nfs/dbraw/zinc/64/61/24/572646124.db2.gz KGJFTXCCTGODPZ-LLVKDONJSA-N -1 3 259.305 3.344 20 0 CGADHM O=C([O-])CCN1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000734850332 572687773 /nfs/dbraw/zinc/68/77/73/572687773.db2.gz ZYJCMJKMOOCQRC-LBPRGKRZSA-N -1 3 287.281 3.317 20 0 CGADHM O=C(Oc1cccc2[nH]ccc21)c1cc(-c2ccoc2)[n-]n1 ZINC000744275912 572730371 /nfs/dbraw/zinc/73/03/71/572730371.db2.gz YYIHJPDYFKBVET-UHFFFAOYSA-N -1 3 293.282 3.370 20 0 CGADHM CC(C)(C)CCNc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000735602358 572732714 /nfs/dbraw/zinc/73/27/14/572732714.db2.gz MWGSQIYLGDBQAX-UHFFFAOYSA-N -1 3 279.775 3.368 20 0 CGADHM CC(C)(C)CCNc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000735602358 572732718 /nfs/dbraw/zinc/73/27/18/572732718.db2.gz MWGSQIYLGDBQAX-UHFFFAOYSA-N -1 3 279.775 3.368 20 0 CGADHM C[C@H](OC(=O)c1cc2ccsc2[n-]1)C(F)(F)F ZINC000744335074 572742083 /nfs/dbraw/zinc/74/20/83/572742083.db2.gz DVQYYHVTVZQTML-YFKPBYRVSA-N -1 3 263.240 3.337 20 0 CGADHM CC(C)c1ccc(C(=O)NCCNc2ccccc2)c([O-])c1 ZINC000735930237 572752076 /nfs/dbraw/zinc/75/20/76/572752076.db2.gz IETFSPLNGPMXEO-UHFFFAOYSA-N -1 3 298.386 3.358 20 0 CGADHM C[C@@H]1CC[C@@H](Nc2ccc(-c3nnn[n-]3)cc2)[C@@H](C)C1 ZINC000736242178 572774186 /nfs/dbraw/zinc/77/41/86/572774186.db2.gz PXLZYURHAMUFGB-UHIISALHSA-N -1 3 271.368 3.103 20 0 CGADHM C[C@@H]1CC[C@@H](Nc2ccc(-c3nn[n-]n3)cc2)[C@@H](C)C1 ZINC000736242178 572774190 /nfs/dbraw/zinc/77/41/90/572774190.db2.gz PXLZYURHAMUFGB-UHIISALHSA-N -1 3 271.368 3.103 20 0 CGADHM CC[C@H](C)CN(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000736322948 572781664 /nfs/dbraw/zinc/78/16/64/572781664.db2.gz RVMWEFXUVJVKBC-VIFPVBQESA-N -1 3 279.775 3.002 20 0 CGADHM CC[C@H](C)CN(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000736322948 572781670 /nfs/dbraw/zinc/78/16/70/572781670.db2.gz RVMWEFXUVJVKBC-VIFPVBQESA-N -1 3 279.775 3.002 20 0 CGADHM Cc1cccc(COC(=O)c2ccc(Cl)cc2[O-])n1 ZINC000736739482 572808104 /nfs/dbraw/zinc/80/81/04/572808104.db2.gz UJUKSKXZSCOEEV-UHFFFAOYSA-N -1 3 277.707 3.106 20 0 CGADHM Cc1cc(-c2nnn[n-]2)cc(C)c1OCc1ccccc1 ZINC000737222125 572865984 /nfs/dbraw/zinc/86/59/84/572865984.db2.gz SNFLNYKXIAHXOT-UHFFFAOYSA-N -1 3 280.331 3.063 20 0 CGADHM Cc1cc(-c2nn[n-]n2)cc(C)c1OCc1ccccc1 ZINC000737222125 572865989 /nfs/dbraw/zinc/86/59/89/572865989.db2.gz SNFLNYKXIAHXOT-UHFFFAOYSA-N -1 3 280.331 3.063 20 0 CGADHM Cc1cc(C)c(-c2nnn[n-]2)c(NCCCC(C)(C)C)n1 ZINC000737242647 572867858 /nfs/dbraw/zinc/86/78/58/572867858.db2.gz XVDNMJKVJZCRRE-UHFFFAOYSA-N -1 3 288.399 3.117 20 0 CGADHM Cc1cc(C)c(-c2nn[n-]n2)c(NCCCC(C)(C)C)n1 ZINC000737242647 572867863 /nfs/dbraw/zinc/86/78/63/572867863.db2.gz XVDNMJKVJZCRRE-UHFFFAOYSA-N -1 3 288.399 3.117 20 0 CGADHM O=C([N-][C@@H]1CC[C@@H]2CCCC[C@@H]2C1)C(F)(F)C(F)F ZINC000749339591 572992313 /nfs/dbraw/zinc/99/23/13/572992313.db2.gz FWOUXKDFTKDRGJ-IVZWLZJFSA-N -1 3 281.293 3.362 20 0 CGADHM CC1(c2ccccc2)CC([N-]C(=O)C(F)(F)C(F)F)C1 ZINC000749382956 572995690 /nfs/dbraw/zinc/99/56/90/572995690.db2.gz RMOZJJDRTQEUEE-UHFFFAOYSA-N -1 3 289.272 3.123 20 0 CGADHM COCc1cccc(COC(=O)c2ccc(F)cc2[O-])c1 ZINC000750158599 573095664 /nfs/dbraw/zinc/09/56/64/573095664.db2.gz HXCHFEPWWJXAEI-UHFFFAOYSA-N -1 3 290.290 3.035 20 0 CGADHM O=c1[n-]c(Sc2nccn2C2CC2)nc2ccccc21 ZINC000750531079 573146252 /nfs/dbraw/zinc/14/62/52/573146252.db2.gz GZPQNORBNAAZKL-UHFFFAOYSA-N -1 3 284.344 3.018 20 0 CGADHM FC(F)(F)CCSCc1cccc(-c2nnn[n-]2)c1 ZINC000737628888 599010410 /nfs/dbraw/zinc/01/04/10/599010410.db2.gz YBVFRDVIRKZDQC-UHFFFAOYSA-N -1 3 288.298 3.052 20 0 CGADHM FC(F)(F)CCSCc1cccc(-c2nn[n-]n2)c1 ZINC000737628888 599010412 /nfs/dbraw/zinc/01/04/12/599010412.db2.gz YBVFRDVIRKZDQC-UHFFFAOYSA-N -1 3 288.298 3.052 20 0 CGADHM Cc1nc(C)c([C@H](C)NCc2ccc(C(=O)[O-])cc2)s1 ZINC000050920632 597243442 /nfs/dbraw/zinc/24/34/42/597243442.db2.gz IAJBDMLBCDETRZ-VIFPVBQESA-N -1 3 290.388 3.309 20 0 CGADHM C[C@@H](N[C@@H](C)CC(=O)[O-])c1nc(-c2ccccc2)cs1 ZINC000820071986 598163554 /nfs/dbraw/zinc/16/35/54/598163554.db2.gz MEDUYKBZZKFTBD-WDEREUQCSA-N -1 3 290.388 3.324 20 0 CGADHM CC(C)[C@@H](NCc1cccc(C(=O)[O-])c1)c1ccccn1 ZINC000819962428 598204003 /nfs/dbraw/zinc/20/40/03/598204003.db2.gz QCYVFCJZTBNPJZ-MRXNPFEDSA-N -1 3 284.359 3.267 20 0 CGADHM CC[C@H]1CCCN(c2c(Cl)cccc2-c2nnn[n-]2)C1 ZINC000820978412 599470963 /nfs/dbraw/zinc/47/09/63/599470963.db2.gz AYWYWFPBKVIWLZ-JTQLQIEISA-N -1 3 291.786 3.147 20 0 CGADHM CC[C@H]1CCCN(c2c(Cl)cccc2-c2nn[n-]n2)C1 ZINC000820978412 599470964 /nfs/dbraw/zinc/47/09/64/599470964.db2.gz AYWYWFPBKVIWLZ-JTQLQIEISA-N -1 3 291.786 3.147 20 0 CGADHM CCC1CCN(c2c(Cl)cccc2-c2nnn[n-]2)CC1 ZINC000820988730 599487066 /nfs/dbraw/zinc/48/70/66/599487066.db2.gz HIYNWMWGSJXHMM-UHFFFAOYSA-N -1 3 291.786 3.147 20 0 CGADHM CCC1CCN(c2c(Cl)cccc2-c2nn[n-]n2)CC1 ZINC000820988730 599487067 /nfs/dbraw/zinc/48/70/67/599487067.db2.gz HIYNWMWGSJXHMM-UHFFFAOYSA-N -1 3 291.786 3.147 20 0 CGADHM Cn1cccc1[C@H]1CCCCN1Cc1cccc(C(=O)[O-])c1 ZINC000833058823 601117715 /nfs/dbraw/zinc/11/77/15/601117715.db2.gz GXNITCSOEJFPLI-QGZVFWFLSA-N -1 3 298.386 3.451 20 0 CGADHM CCc1ccc([C@@H]2CCCN2C/C=C(/C)C(=O)[O-])o1 ZINC000830239132 601169226 /nfs/dbraw/zinc/16/92/26/601169226.db2.gz WMRMRMPMVVQKIG-ZWXCPPHNSA-N -1 3 263.337 3.010 20 0 CGADHM Cc1ncc(CN[C@H](c2ccccc2)[C@H](C)C(=O)[O-])s1 ZINC000833008572 601203491 /nfs/dbraw/zinc/20/34/91/601203491.db2.gz JZAZTPRGJBAYKB-HZMBPMFUSA-N -1 3 290.388 3.003 20 0 CGADHM CC[C@@](C)(CC(=O)[O-])NCc1csc(-c2ccco2)n1 ZINC000828672597 601433039 /nfs/dbraw/zinc/43/30/39/601433039.db2.gz TXLBTRDBGZNXRJ-AWEZNQCLSA-N -1 3 294.376 3.136 20 0 CGADHM CC(C)CCc1nc(CN[C@@H](C(=O)[O-])C(C)(C)C)cs1 ZINC000826861244 601870115 /nfs/dbraw/zinc/87/01/15/601870115.db2.gz RQAMZRZADIZFOR-ZDUSSCGKSA-N -1 3 298.452 3.321 20 0 CGADHM C[C@@H](NCc1ccc([C@H](C)NC(=O)[O-])cc1)c1ccncc1 ZINC000825501957 604304191 /nfs/dbraw/zinc/30/41/91/604304191.db2.gz GDYBPZQCCCVUQW-OLZOCXBDSA-N -1 3 299.374 3.261 20 0 CGADHM Cc1ccc([C@@H](C)N[C@@H](C(=O)[O-])c2cccnc2)cc1F ZINC000832921485 605007401 /nfs/dbraw/zinc/00/74/01/605007401.db2.gz RLGQOWWVEVTTJB-IAQYHMDHSA-N -1 3 288.322 3.006 20 0 CGADHM O=C([O-])N1CCC[C@H]1C1CCN(Cc2ccsc2)CC1 ZINC000834105732 605496533 /nfs/dbraw/zinc/49/65/33/605496533.db2.gz IGRMFZPWCKNKJD-AWEZNQCLSA-N -1 3 294.420 3.103 20 0 CGADHM C[C@@H](Sc1ccccc1O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820555867 606171636 /nfs/dbraw/zinc/17/16/36/606171636.db2.gz QKMKOGXEMRAHOQ-SNVBAGLBSA-N -1 3 298.371 3.426 20 0 CGADHM C[C@@H](Sc1ccccc1O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820555867 606171637 /nfs/dbraw/zinc/17/16/37/606171637.db2.gz QKMKOGXEMRAHOQ-SNVBAGLBSA-N -1 3 298.371 3.426 20 0 CGADHM CCCC[C@@H](CCC)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000821042458 606402658 /nfs/dbraw/zinc/40/26/58/606402658.db2.gz BBKSHUYQOIJFPM-GFCCVEGCSA-N -1 3 274.372 3.033 20 0 CGADHM CCCC[C@@H](CCC)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000821042458 606402660 /nfs/dbraw/zinc/40/26/60/606402660.db2.gz BBKSHUYQOIJFPM-GFCCVEGCSA-N -1 3 274.372 3.033 20 0 CGADHM CC1(CNc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)CC1 ZINC000820623003 606423320 /nfs/dbraw/zinc/42/33/20/606423320.db2.gz BGKCAILBADMUAW-UHFFFAOYSA-N -1 3 297.284 3.098 20 0 CGADHM CCNc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000821309208 606766723 /nfs/dbraw/zinc/76/67/23/606766723.db2.gz KDPGICUHAUJYNO-UHFFFAOYSA-N -1 3 299.309 3.230 20 0 CGADHM CCNc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000821309208 606766725 /nfs/dbraw/zinc/76/67/25/606766725.db2.gz KDPGICUHAUJYNO-UHFFFAOYSA-N -1 3 299.309 3.230 20 0 CGADHM FC1(F)CC[C@@H](Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000822736912 606881465 /nfs/dbraw/zinc/88/14/65/606881465.db2.gz MPCQXCIPDZAZRB-MRVPVSSYSA-N -1 3 299.712 3.120 20 0 CGADHM FC1(F)CC[C@@H](Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000822736912 606881467 /nfs/dbraw/zinc/88/14/67/606881467.db2.gz MPCQXCIPDZAZRB-MRVPVSSYSA-N -1 3 299.712 3.120 20 0 CGADHM CCCCSCc1cc(F)ccc1-c1nnn[n-]1 ZINC000821077553 607032911 /nfs/dbraw/zinc/03/29/11/607032911.db2.gz LEHHMFJCBSEUMW-UHFFFAOYSA-N -1 3 266.345 3.039 20 0 CGADHM CCCCSCc1cc(F)ccc1-c1nn[n-]n1 ZINC000821077553 607032912 /nfs/dbraw/zinc/03/29/12/607032912.db2.gz LEHHMFJCBSEUMW-UHFFFAOYSA-N -1 3 266.345 3.039 20 0 CGADHM CC(C)[C@H](C)SCc1cc(F)ccc1-c1nnn[n-]1 ZINC000820021088 607039266 /nfs/dbraw/zinc/03/92/66/607039266.db2.gz PDRQNFJXKZAOTR-VIFPVBQESA-N -1 3 280.372 3.284 20 0 CGADHM CC(C)[C@H](C)SCc1cc(F)ccc1-c1nn[n-]n1 ZINC000820021088 607039268 /nfs/dbraw/zinc/03/92/68/607039268.db2.gz PDRQNFJXKZAOTR-VIFPVBQESA-N -1 3 280.372 3.284 20 0 CGADHM CC1(C)CCC(C(=O)Nc2ccccc2-c2nnn[n-]2)CC1 ZINC000820589430 607234983 /nfs/dbraw/zinc/23/49/83/607234983.db2.gz FMOJKIXESPNZPG-UHFFFAOYSA-N -1 3 299.378 3.022 20 0 CGADHM CC1(C)CCC(C(=O)Nc2ccccc2-c2nn[n-]n2)CC1 ZINC000820589430 607234984 /nfs/dbraw/zinc/23/49/84/607234984.db2.gz FMOJKIXESPNZPG-UHFFFAOYSA-N -1 3 299.378 3.022 20 0 CGADHM CC1(CC(=O)Nc2ccccc2-c2nnn[n-]2)CCCCC1 ZINC000824817305 607793044 /nfs/dbraw/zinc/79/30/44/607793044.db2.gz NGJZWPJYMIPADY-UHFFFAOYSA-N -1 3 299.378 3.166 20 0 CGADHM CC1(CC(=O)Nc2ccccc2-c2nn[n-]n2)CCCCC1 ZINC000824817305 607793045 /nfs/dbraw/zinc/79/30/45/607793045.db2.gz NGJZWPJYMIPADY-UHFFFAOYSA-N -1 3 299.378 3.166 20 0 CGADHM c1noc(C2CC2)c1CSc1ccc(-c2nnn[n-]2)cc1 ZINC000826514189 607813816 /nfs/dbraw/zinc/81/38/16/607813816.db2.gz JVZIUXOTRUWYIV-UHFFFAOYSA-N -1 3 299.359 3.024 20 0 CGADHM c1noc(C2CC2)c1CSc1ccc(-c2nn[n-]n2)cc1 ZINC000826514189 607813817 /nfs/dbraw/zinc/81/38/17/607813817.db2.gz JVZIUXOTRUWYIV-UHFFFAOYSA-N -1 3 299.359 3.024 20 0 CGADHM C[C@H]1C[C@@H]1c1ccc(CNc2cccc(-c3nnn[n-]3)c2)o1 ZINC000315742468 608867868 /nfs/dbraw/zinc/86/78/68/608867868.db2.gz OBVSBEGEKVOXQB-HZMBPMFUSA-N -1 3 295.346 3.195 20 0 CGADHM C[C@H]1C[C@@H]1c1ccc(CNc2cccc(-c3nn[n-]n3)c2)o1 ZINC000315742468 608867872 /nfs/dbraw/zinc/86/78/72/608867872.db2.gz OBVSBEGEKVOXQB-HZMBPMFUSA-N -1 3 295.346 3.195 20 0 CGADHM Cc1ccccc1N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826307533 609156661 /nfs/dbraw/zinc/15/66/61/609156661.db2.gz LYLDRBAHQCAVSR-GFCCVEGCSA-N -1 3 279.347 3.348 20 0 CGADHM Cc1ccccc1N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826307533 609156662 /nfs/dbraw/zinc/15/66/62/609156662.db2.gz LYLDRBAHQCAVSR-GFCCVEGCSA-N -1 3 279.347 3.348 20 0 CGADHM Cc1ccc(N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826291509 609161247 /nfs/dbraw/zinc/16/12/47/609161247.db2.gz JORLOQWZVQAGKB-GFCCVEGCSA-N -1 3 279.347 3.348 20 0 CGADHM Cc1ccc(N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826291509 609161248 /nfs/dbraw/zinc/16/12/48/609161248.db2.gz JORLOQWZVQAGKB-GFCCVEGCSA-N -1 3 279.347 3.348 20 0 CGADHM CCCCCCC(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC000160268191 617731183 /nfs/dbraw/zinc/73/11/83/617731183.db2.gz IZSQYLFMNPGZDB-UHFFFAOYSA-N -1 3 276.340 3.282 20 0 CGADHM CCc1cccc(C(=O)NNc2cccc(C)c2)c1[O-] ZINC000081729165 617786231 /nfs/dbraw/zinc/78/62/31/617786231.db2.gz MHNWXCQDODEQJM-UHFFFAOYSA-N -1 3 270.332 3.020 20 0 CGADHM CC1(C)SC[C@H]1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000283392758 618396788 /nfs/dbraw/zinc/39/67/88/618396788.db2.gz PRRLZXXCAFNDSE-CQSZACIVSA-N -1 3 287.384 3.169 20 0 CGADHM CCOC1CC2(C[C@@H]2C(=O)Nc2cc(Cl)ccc2[O-])C1 ZINC000866866150 618501170 /nfs/dbraw/zinc/50/11/70/618501170.db2.gz XYGTYIOLSZFTHV-LOIXOFCESA-N -1 3 295.766 3.189 20 0 CGADHM COc1cccc([O-])c1C(=O)N1C[C@H](C)[C@H]1c1ccccc1 ZINC000900883709 620818232 /nfs/dbraw/zinc/81/82/32/620818232.db2.gz SILMDYBCUYRUMT-SJCJKPOMSA-N -1 3 297.354 3.234 20 0 CGADHM Cc1csc(C2(NCc3ccc([O-])c(F)c3)CCC2)n1 ZINC000892842021 618942896 /nfs/dbraw/zinc/94/28/96/618942896.db2.gz JRCDANVLEGAUAC-UHFFFAOYSA-N -1 3 292.379 3.465 20 0 CGADHM CCCCC[C@@H](C)CC(=O)N1CCCc2c(=O)[n-]cnc21 ZINC000893216869 619033350 /nfs/dbraw/zinc/03/33/50/619033350.db2.gz WYEJKOMAUDFIEB-GFCCVEGCSA-N -1 3 291.395 3.068 20 0 CGADHM Cc1cncc(CNCc2c([O-])ccc(Cl)c2F)c1 ZINC000191497420 619110270 /nfs/dbraw/zinc/11/02/70/619110270.db2.gz UHLDGOYJCUXUEM-UHFFFAOYSA-N -1 3 280.730 3.178 20 0 CGADHM COc1ccc(CN2CCCC[C@@H]2CCC(=O)[O-])c(F)c1 ZINC000228613033 619722592 /nfs/dbraw/zinc/72/25/92/619722592.db2.gz AMINLGBQANJRFW-CYBMUJFWSA-N -1 3 295.354 3.054 20 0 CGADHM CSCCO[N-]C(=O)C[C@H]1CCCC(C)(C)C1 ZINC000794190630 619740008 /nfs/dbraw/zinc/74/00/08/619740008.db2.gz KOGASCDJBZBQMP-LLVKDONJSA-N -1 3 259.415 3.004 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])[C@@H]1CCOC2(CCC2)C1 ZINC000895845089 619893430 /nfs/dbraw/zinc/89/34/30/619893430.db2.gz HNLVFUACZZADSB-SNVBAGLBSA-N -1 3 295.766 3.333 20 0 CGADHM CC1(C)CCC(CC(=O)[N-]OCc2ccccn2)CC1 ZINC000909546724 620087589 /nfs/dbraw/zinc/08/75/89/620087589.db2.gz SACHVHQOSMUGGP-UHFFFAOYSA-N -1 3 276.380 3.236 20 0 CGADHM CCc1ccc(C(=O)N(CC(F)F)C2CCC2)c([O-])c1 ZINC000925268761 620325227 /nfs/dbraw/zinc/32/52/27/620325227.db2.gz ZXLYQDSABPDXTJ-UHFFFAOYSA-N -1 3 283.318 3.214 20 0 CGADHM O=C(Nc1c([O-])cccc1Cl)[C@@H]1CCOC2(CCC2)C1 ZINC000897844858 620439173 /nfs/dbraw/zinc/43/91/73/620439173.db2.gz BGSTWVUFFWZQJX-SNVBAGLBSA-N -1 3 295.766 3.333 20 0 CGADHM C[C@@H]([N-]c1nnc([C@H]2CCCO2)o1)c1cccs1 ZINC000901407888 620878152 /nfs/dbraw/zinc/87/81/52/620878152.db2.gz FHHRLYXWKWJTJZ-RKDXNWHRSA-N -1 3 265.338 3.156 20 0 CGADHM CC(C)CN(CC(=O)[O-])Cc1cc2cc(F)ccc2o1 ZINC000901588265 620937763 /nfs/dbraw/zinc/93/77/63/620937763.db2.gz CPCUBTKZUDYSPH-UHFFFAOYSA-N -1 3 279.311 3.115 20 0 CGADHM Cc1occc1CN[C@H](CCC(=O)[O-])c1ccccc1 ZINC000901646323 620961316 /nfs/dbraw/zinc/96/13/16/620961316.db2.gz GSHVTKNUMXGQJW-OAHLLOKOSA-N -1 3 273.332 3.284 20 0 CGADHM CCC[C@]1(C)CCCN(Cc2cccc(C(=O)[O-])n2)C1 ZINC000902282402 621225743 /nfs/dbraw/zinc/22/57/43/621225743.db2.gz RUJHHFWTXPTBGA-MRXNPFEDSA-N -1 3 276.380 3.182 20 0 CGADHM O=C([O-])c1ccc(-c2ccc(CN[C@@H]3CC34CC4)o2)cc1 ZINC000902274729 621238948 /nfs/dbraw/zinc/23/89/48/621238948.db2.gz ZOLICVLJMXZGCF-OAHLLOKOSA-N -1 3 283.327 3.287 20 0 CGADHM C[C@@H]1C[C@H](N[C@@H]2C[C@]2(F)c2ccccc2)CC[C@H]1C(=O)[O-] ZINC000902340705 621254153 /nfs/dbraw/zinc/25/41/53/621254153.db2.gz JCNNNXRWSHSDJQ-LZTJUBIUSA-N -1 3 291.366 3.103 20 0 CGADHM CC(C)CCC1CCN(Cc2cccc(C(=O)[O-])n2)CC1 ZINC000902411330 621296175 /nfs/dbraw/zinc/29/61/75/621296175.db2.gz ZCQORVIDTGXMMK-UHFFFAOYSA-N -1 3 290.407 3.428 20 0 CGADHM Cc1cc(CN[C@@H]2C[C@H]2CC(C)(C)C)oc1C(=O)[O-] ZINC000902464217 621337659 /nfs/dbraw/zinc/33/76/59/621337659.db2.gz XJAIVSRJUIOWFR-CMPLNLGQSA-N -1 3 265.353 3.201 20 0 CGADHM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCC2(CCCCO2)CC1 ZINC000903620986 621776302 /nfs/dbraw/zinc/77/63/02/621776302.db2.gz LAZWJBSIYRSLGD-LBPRGKRZSA-N -1 3 293.363 3.074 20 0 CGADHM C[C@H]1[C@H](C(F)(F)F)CCN1Cc1ccc(C(=O)[O-])s1 ZINC000903686022 621788501 /nfs/dbraw/zinc/78/85/01/621788501.db2.gz CKXAUILGHNNMRC-IONNQARKSA-N -1 3 293.310 3.219 20 0 CGADHM O=C([O-])[C@H]1CN(Cc2ccccc2CF)Cc2ccccc21 ZINC000903706803 621794455 /nfs/dbraw/zinc/79/44/55/621794455.db2.gz NPJHICHNENUVHA-KRWDZBQOSA-N -1 3 299.345 3.340 20 0 CGADHM CSCCCCc1noc(Cc2ccc([O-])c(F)c2)n1 ZINC000903779701 621806220 /nfs/dbraw/zinc/80/62/20/621806220.db2.gz KGCLGPSUYVIBDK-UHFFFAOYSA-N -1 3 296.367 3.191 20 0 CGADHM Cc1ccccc1[C@H](C)N(C)Cc1cncc(C(=O)[O-])c1 ZINC000903886163 621826950 /nfs/dbraw/zinc/82/69/50/621826950.db2.gz AUIIPWBNXSXHJN-ZDUSSCGKSA-N -1 3 284.359 3.281 20 0 CGADHM COc1ccccc1CN[C@@H](CC(=O)[O-])c1cccc(C)c1 ZINC000904042350 621858510 /nfs/dbraw/zinc/85/85/10/621858510.db2.gz DBMVLLAZYDZDKH-INIZCTEOSA-N -1 3 299.370 3.309 20 0 CGADHM CCCCCC[C@@H](C)NC(=O)NN=c1nc(C)cc(C)[n-]1 ZINC000043000732 622027154 /nfs/dbraw/zinc/02/71/54/622027154.db2.gz FFCWRCZCKCDRRI-LLVKDONJSA-N -1 3 293.415 3.078 20 0 CGADHM CCCCc1noc([C@H](C)OC(=O)c2ccc([O-])cc2)n1 ZINC000912864935 622707449 /nfs/dbraw/zinc/70/74/49/622707449.db2.gz SLSNZDBPGUSMIO-JTQLQIEISA-N -1 3 290.319 3.036 20 0 CGADHM Cc1ccc(COC(=O)c2cc(-c3ccco3)[n-]n2)cc1 ZINC000913298397 622755023 /nfs/dbraw/zinc/75/50/23/622755023.db2.gz JZTNZJRRUYCHFO-UHFFFAOYSA-N -1 3 282.299 3.335 20 0 CGADHM Cc1ccc(COC(=O)c2cc(-c3ccco3)n[n-]2)cc1 ZINC000913298397 622755027 /nfs/dbraw/zinc/75/50/27/622755027.db2.gz JZTNZJRRUYCHFO-UHFFFAOYSA-N -1 3 282.299 3.335 20 0 CGADHM Cc1ccc(SCCC[N-]C(=O)C(F)(F)F)cc1 ZINC000151728928 623562168 /nfs/dbraw/zinc/56/21/68/623562168.db2.gz BZDXRLWOTWILQS-UHFFFAOYSA-N -1 3 277.311 3.156 20 0 CGADHM Oc1[n-]c(SCc2ccc(Cl)s2)nc2nncc1-2 ZINC000914683915 623845466 /nfs/dbraw/zinc/84/54/66/623845466.db2.gz QBXITJOOTPSSGD-UHFFFAOYSA-N -1 3 298.780 3.066 20 0 CGADHM C/C(=C\C(=O)Nc1ccc(Br)cc1[O-])C1CC1 ZINC000918125750 624334956 /nfs/dbraw/zinc/33/49/56/624334956.db2.gz RVDCBBZTOGLGGA-SOFGYWHQSA-N -1 3 296.164 3.450 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2ccc3oc(=O)ccc3c2)c1 ZINC000920004497 624437683 /nfs/dbraw/zinc/43/76/83/624437683.db2.gz NYPIIVZXPDZDIQ-UHFFFAOYSA-N -1 3 295.294 3.059 20 0 CGADHM C[C@@H]1CCC[C@H]1CC(=O)[N-]OCc1ccc(F)cc1 ZINC000184793265 625270892 /nfs/dbraw/zinc/27/08/92/625270892.db2.gz UKUKRIZPZNFZQN-YPMHNXCESA-N -1 3 265.328 3.200 20 0 CGADHM CC(F)(F)CCCOC(=O)c1cc2occc2[n-]1 ZINC000922670605 626029031 /nfs/dbraw/zinc/02/90/31/626029031.db2.gz QFJYJOIHNABCOA-UHFFFAOYSA-N -1 3 257.236 3.353 20 0 CGADHM O=C(OC[C@H]1C[C@@H]2[C@H](C1)C2(F)F)c1cc2occc2[n-]1 ZINC000922671285 626029210 /nfs/dbraw/zinc/02/92/10/626029210.db2.gz UHXMJWYDWYDMST-AYMMMOKOSA-N -1 3 281.258 3.209 20 0 CGADHM O=C(C=C1CCCC1)Nc1ccc(Cl)cc1[O-] ZINC000754498415 626573435 /nfs/dbraw/zinc/57/34/35/626573435.db2.gz OPLVPQYRYIEKNC-UHFFFAOYSA-N -1 3 251.713 3.485 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)Cc1cccc(C2CC2)c1 ZINC000839777489 626787520 /nfs/dbraw/zinc/78/75/20/626787520.db2.gz SMTNLXRDFQWEQD-LBPRGKRZSA-N -1 3 261.365 3.200 20 0 CGADHM O=C(CCC1CCCCC1)[N-]OCC[C@H]1CCCCO1 ZINC000758764281 626859080 /nfs/dbraw/zinc/85/90/80/626859080.db2.gz YNUFPGMOOSMCCT-OAHLLOKOSA-N -1 3 283.412 3.354 20 0 CGADHM C[C@@H](CC(=O)[N-]OCC(F)F)Cc1ccc(Cl)cc1 ZINC000759344873 626889904 /nfs/dbraw/zinc/88/99/04/626889904.db2.gz VBUCHWUOVFDCQT-SECBINFHSA-N -1 3 291.725 3.222 20 0 CGADHM CCOC(=O)c1ccc(NC(=O)/C=C/C(C)(C)C)c([O-])c1 ZINC000760211649 626944955 /nfs/dbraw/zinc/94/49/55/626944955.db2.gz ZTGDFTFLVDHPEA-CMDGGOBGSA-N -1 3 291.347 3.110 20 0 CGADHM O=C([N-]C1(Cc2ccccc2)CCC1)C(F)(F)C(F)F ZINC000760974012 627006961 /nfs/dbraw/zinc/00/69/61/627006961.db2.gz ORQHHXSTNHDVKF-UHFFFAOYSA-N -1 3 289.272 3.168 20 0 CGADHM Cc1cc(=O)[n-]c(CSCCCOc2ccccc2)n1 ZINC000763213482 627145635 /nfs/dbraw/zinc/14/56/35/627145635.db2.gz SRVUNJQHHGRKRW-UHFFFAOYSA-N -1 3 290.388 3.193 20 0 CGADHM C/C(=C\C(=O)[N-]OCC(F)(F)F)c1cccc(Cl)c1 ZINC000766769412 627359483 /nfs/dbraw/zinc/35/94/83/627359483.db2.gz WNQKHMNOGNMPHK-VMPITWQZSA-N -1 3 293.672 3.353 20 0 CGADHM CCc1ccc(C(=O)Nc2ccc(COC)cc2)c([O-])c1 ZINC000769526942 627562840 /nfs/dbraw/zinc/56/28/40/627562840.db2.gz ZMNZAZAEYDYCDZ-UHFFFAOYSA-N -1 3 285.343 3.353 20 0 CGADHM O=C(Nc1cccc([O-])c1F)[C@@H](F)c1ccccc1 ZINC000769609458 627569507 /nfs/dbraw/zinc/56/95/07/627569507.db2.gz LNZHSBHZTMIGHL-LBPRGKRZSA-N -1 3 263.243 3.181 20 0 CGADHM O=C(O[C@@H]1Cc2ccccc2C1=O)c1cc2ccsc2[n-]1 ZINC000769963496 627592813 /nfs/dbraw/zinc/59/28/13/627592813.db2.gz BDCJFYRXJHAGCD-CYBMUJFWSA-N -1 3 297.335 3.194 20 0 CGADHM O=C(CCOc1ccc(Cl)cc1)[N-]OC1CCCC1 ZINC000774866587 628043507 /nfs/dbraw/zinc/04/35/07/628043507.db2.gz FIVXKKBOSBPQJS-UHFFFAOYSA-N -1 3 283.755 3.099 20 0 CGADHM CSCc1cccc(NC([O-])=NO[C@H]2CCCCO2)c1 ZINC000775613441 628114555 /nfs/dbraw/zinc/11/45/55/628114555.db2.gz PVSXXKYMFJXQMY-ZDUSSCGKSA-N -1 3 296.392 3.129 20 0 CGADHM CSCc1cccc(NC(=O)[N-]O[C@H]2CCCCO2)c1 ZINC000775613441 628114557 /nfs/dbraw/zinc/11/45/57/628114557.db2.gz PVSXXKYMFJXQMY-ZDUSSCGKSA-N -1 3 296.392 3.129 20 0 CGADHM CCCCC[C@@H](CC)C(=O)Nc1n[n-]c(SC)n1 ZINC000775684647 628125589 /nfs/dbraw/zinc/12/55/89/628125589.db2.gz NPMUYOAEFRZYPD-SECBINFHSA-N -1 3 270.402 3.072 20 0 CGADHM O=C(CCCOc1ccccc1F)[N-]OC1CCCCC1 ZINC000777958184 628314070 /nfs/dbraw/zinc/31/40/70/628314070.db2.gz KOYFDHBYKSOSSM-UHFFFAOYSA-N -1 3 295.354 3.365 20 0 CGADHM O=C(Cc1coc2cc(F)ccc12)[N-]OC1CCCCC1 ZINC000777963247 628316236 /nfs/dbraw/zinc/31/62/36/628316236.db2.gz VAFVGVNZEVTHTB-UHFFFAOYSA-N -1 3 291.322 3.495 20 0 CGADHM Cc1cccc([O-])c1NC(=O)c1cc(=O)c2ccccc2o1 ZINC000778960390 628380227 /nfs/dbraw/zinc/38/02/27/628380227.db2.gz KHRXXTPTZGRHMU-UHFFFAOYSA-N -1 3 295.294 3.059 20 0 CGADHM O=C(CCCCCc1ccc(F)cc1)[N-]OCC(F)F ZINC000779096653 628388840 /nfs/dbraw/zinc/38/88/40/628388840.db2.gz RIZRHMCLBDGRMZ-UHFFFAOYSA-N -1 3 289.297 3.242 20 0 CGADHM O=C1[N-]C(=O)C(=Cc2c(Cl)oc3ccccc32)S1 ZINC000874927695 634652954 /nfs/dbraw/zinc/65/29/54/634652954.db2.gz GIJOLXLGKZXGCE-UITAMQMPSA-N -1 3 279.704 3.410 20 0 CGADHM CC(C)(C)CC(=O)[N-]OCc1ccc(F)cc1Cl ZINC000842059679 635269744 /nfs/dbraw/zinc/26/97/44/635269744.db2.gz BHQCJFOCAICUIX-UHFFFAOYSA-N -1 3 273.735 3.463 20 0 CGADHM COc1ccccc1CCCOC(=O)c1ccc([O-])cc1 ZINC000780058807 628453812 /nfs/dbraw/zinc/45/38/12/628453812.db2.gz ISIUTSJBGQDKFF-UHFFFAOYSA-N -1 3 286.327 3.190 20 0 CGADHM CCCCCC(C)(C)C(=O)Nc1cc(C(=O)OCC)n[n-]1 ZINC000781431074 628559345 /nfs/dbraw/zinc/55/93/45/628559345.db2.gz RNZXSGMCNKONJQ-UHFFFAOYSA-N -1 3 295.383 3.131 20 0 CGADHM CCCCCC(C)(C)C(=O)Nc1cc(C(=O)OCC)[n-]n1 ZINC000781431074 628559349 /nfs/dbraw/zinc/55/93/49/628559349.db2.gz RNZXSGMCNKONJQ-UHFFFAOYSA-N -1 3 295.383 3.131 20 0 CGADHM CCCCCC[C@@H](C)C(=O)Nc1cc(C(=O)OCC)n[n-]1 ZINC000781431535 628559876 /nfs/dbraw/zinc/55/98/76/628559876.db2.gz XCPUVHDPJQHDCS-LLVKDONJSA-N -1 3 295.383 3.131 20 0 CGADHM CCCCCC[C@@H](C)C(=O)Nc1cc(C(=O)OCC)[n-]n1 ZINC000781431535 628559880 /nfs/dbraw/zinc/55/98/80/628559880.db2.gz XCPUVHDPJQHDCS-LLVKDONJSA-N -1 3 295.383 3.131 20 0 CGADHM Cc1cccc([C@H](C)OC(=O)c2cncc([O-])c2)c1 ZINC000783625753 628732812 /nfs/dbraw/zinc/73/28/12/628732812.db2.gz UDHRUSKJQFXQQO-NSHDSACASA-N -1 3 257.289 3.014 20 0 CGADHM O=C(Cc1cnc2ccccc2c1)[N-]OC1CCCCC1 ZINC000784533696 628820179 /nfs/dbraw/zinc/82/01/79/628820179.db2.gz KBXWOAYYASIZMQ-UHFFFAOYSA-N -1 3 284.359 3.158 20 0 CGADHM O=C(CCCc1ccc([O-])c(F)c1)OCCC1CC1 ZINC000787842616 629031830 /nfs/dbraw/zinc/03/18/30/629031830.db2.gz HPSCSBCGOCPLMQ-UHFFFAOYSA-N -1 3 266.312 3.197 20 0 CGADHM Cc1cccc(Cl)c1CC(=O)[N-]OCCC(F)(F)F ZINC000792608231 629370113 /nfs/dbraw/zinc/37/01/13/629370113.db2.gz YZTNXJBMRDDIBG-UHFFFAOYSA-N -1 3 295.688 3.191 20 0 CGADHM CSCCO[N-]C(=O)C[C@@H]1CCCCC1(C)C ZINC000794189885 629520796 /nfs/dbraw/zinc/52/07/96/629520796.db2.gz LKKDOHSSPNTWHW-NSHDSACASA-N -1 3 259.415 3.004 20 0 CGADHM COc1cccc(CNCc2cccc(CCC(=O)[O-])c2)c1 ZINC000864518162 629850920 /nfs/dbraw/zinc/85/09/20/629850920.db2.gz WHYIHIMMRCZJOI-UHFFFAOYSA-N -1 3 299.370 3.002 20 0 CGADHM COC(=O)c1c(C)[n-]c(=O)nc1SC[C@@H](C)C(C)(C)C ZINC000865349540 630066932 /nfs/dbraw/zinc/06/69/32/630066932.db2.gz UEBGLASJDLZSCZ-MRVPVSSYSA-N -1 3 298.408 3.052 20 0 CGADHM CCCC1(C(=O)[N-]OCc2ccccc2OC)CCC1 ZINC000799093611 630141979 /nfs/dbraw/zinc/14/19/79/630141979.db2.gz BDLBQDQPOYWXAV-UHFFFAOYSA-N -1 3 277.364 3.213 20 0 CGADHM CC(C)N(CC(=O)[O-])Cc1cc2ccccc2nc1Cl ZINC000836691636 634791648 /nfs/dbraw/zinc/79/16/48/634791648.db2.gz XKMZRKOGLZWAHH-UHFFFAOYSA-N -1 3 292.766 3.183 20 0 CGADHM CC(C)c1ccc(OCCC(=O)[N-]OC2CCC2)cc1 ZINC000836797943 634804272 /nfs/dbraw/zinc/80/42/72/634804272.db2.gz DQMCVAYERNRSEQ-UHFFFAOYSA-N -1 3 277.364 3.179 20 0 CGADHM c1ccc(-c2noc([N-]Cc3noc4ccccc34)n2)cc1 ZINC000811840358 631125609 /nfs/dbraw/zinc/12/56/09/631125609.db2.gz CVHRTSREGYZCCL-UHFFFAOYSA-N -1 3 292.298 3.490 20 0 CGADHM COCc1ccccc1C=C(C)C=Cc1nccc(=O)[n-]1 ZINC000814190972 631544252 /nfs/dbraw/zinc/54/42/52/631544252.db2.gz XLXHVOYGLOTFHV-IGOCJVNJSA-N -1 3 282.343 3.445 20 0 CGADHM COc1ccc(NCc2c(F)ccc([O-])c2F)cc1F ZINC000816522529 632004241 /nfs/dbraw/zinc/00/42/41/632004241.db2.gz CPPKHKKGUBFDGR-UHFFFAOYSA-N -1 3 283.249 3.430 20 0 CGADHM O=C(N[C@@H]1CCCSC1)c1cc2sccc2c([O-])c1 ZINC000816821529 632054689 /nfs/dbraw/zinc/05/46/89/632054689.db2.gz DLXFREFNGWHRKR-SNVBAGLBSA-N -1 3 293.413 3.232 20 0 CGADHM C[C@@H](CCCc1ccccc1)C(=O)[N-]OCC1CC1 ZINC000817354389 632130500 /nfs/dbraw/zinc/13/05/00/632130500.db2.gz KXXCKDOXLVHNHM-ZDUSSCGKSA-N -1 3 261.365 3.103 20 0 CGADHM C[C@H]1C[C@H](CC(=O)[N-]OCC2CC2)CC(C)(C)C1 ZINC000817362249 632131309 /nfs/dbraw/zinc/13/13/09/632131309.db2.gz JSDROKXJEJEWHZ-WCQYABFASA-N -1 3 253.386 3.297 20 0 CGADHM O=C(CCc1ccc(-c2ccccc2)[nH]1)[N-]OCC1CC1 ZINC000817367528 632133475 /nfs/dbraw/zinc/13/34/75/632133475.db2.gz DDZKUPNHAXDYGJ-UHFFFAOYSA-N -1 3 284.359 3.072 20 0 CGADHM COc1ccc(CCC(=O)[N-]OCCC2CC2)cc1Cl ZINC000817421235 632147685 /nfs/dbraw/zinc/14/76/85/632147685.db2.gz UCCQVVKELSPIFJ-UHFFFAOYSA-N -1 3 297.782 3.129 20 0 CGADHM C[C@H](CCc1cccc(F)c1)C(=O)[N-]OCCC1CC1 ZINC000817441986 632158959 /nfs/dbraw/zinc/15/89/59/632158959.db2.gz SJRSTHNPRZCOHL-GFCCVEGCSA-N -1 3 279.355 3.242 20 0 CGADHM CN(C(=O)c1ccc(N)cc1[O-])[C@@H]1CCCc2ccccc21 ZINC000817909063 632233648 /nfs/dbraw/zinc/23/36/48/632233648.db2.gz WYHKPOOTELOSOM-MRXNPFEDSA-N -1 3 296.370 3.124 20 0 CGADHM CC[C@H](C)[C@H](C)N(C(=O)c1ccc(N)cc1[O-])C1CC1 ZINC000817937718 632237497 /nfs/dbraw/zinc/23/74/97/632237497.db2.gz VCOHDGQDEHDFFO-QWRGUYRKSA-N -1 3 276.380 3.014 20 0 CGADHM CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1ccc(N)cc1[O-] ZINC000817954053 632249165 /nfs/dbraw/zinc/24/91/65/632249165.db2.gz AUVBKYQAADVOJC-SMDDNHRTSA-N -1 3 276.380 3.015 20 0 CGADHM CC(C)CC[C@H]1CCCN1C(=O)c1ccc(N)cc1[O-] ZINC000817999289 632276174 /nfs/dbraw/zinc/27/61/74/632276174.db2.gz RCXVXBPSZVSHBX-CYBMUJFWSA-N -1 3 276.380 3.015 20 0 CGADHM CCCONC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000844084941 635817708 /nfs/dbraw/zinc/81/77/08/635817708.db2.gz FRANQQBSHGZSSK-UHFFFAOYSA-N -1 3 299.370 3.249 20 0 CGADHM CCC(=CC(=O)Nc1cccc(C(C)=O)c1[O-])CC ZINC000819823854 632526957 /nfs/dbraw/zinc/52/69/57/632526957.db2.gz HWUPIAGGBNSNKY-UHFFFAOYSA-N -1 3 261.321 3.280 20 0 CGADHM O=C(Nc1c([O-])cccc1Cl)[C@@H]1CC1(Cl)Cl ZINC000820511319 632640711 /nfs/dbraw/zinc/64/07/11/632640711.db2.gz ZDJWLEQHXVRQQV-YFKPBYRVSA-N -1 3 280.538 3.178 20 0 CGADHM [O-]C(=NO[C@H]1CCCCO1)Nc1ccccc1C(F)F ZINC000824433122 633245074 /nfs/dbraw/zinc/24/50/74/633245074.db2.gz CONFOKFPZUXYPH-NSHDSACASA-N -1 3 286.278 3.204 20 0 CGADHM O=C([N-]O[C@H]1CCCCO1)Nc1ccccc1C(F)F ZINC000824433122 633245075 /nfs/dbraw/zinc/24/50/75/633245075.db2.gz CONFOKFPZUXYPH-NSHDSACASA-N -1 3 286.278 3.204 20 0 CGADHM O=C(CCc1ccc(C(F)F)cc1)[N-]OCCC1CC1 ZINC000868554612 633336174 /nfs/dbraw/zinc/33/61/74/633336174.db2.gz UGGDAWILPILGTC-UHFFFAOYSA-N -1 3 283.318 3.405 20 0 CGADHM CCCCCCC(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000825298243 633343590 /nfs/dbraw/zinc/34/35/90/633343590.db2.gz MLGZXMAJVQGSEK-UHFFFAOYSA-N -1 3 291.395 3.036 20 0 CGADHM O=C(NCCC[C@@H]1CC1(Cl)Cl)c1ccccc1[O-] ZINC000844962336 635991121 /nfs/dbraw/zinc/99/11/21/635991121.db2.gz BQCFVLLDOLIJGH-SECBINFHSA-N -1 3 288.174 3.096 20 0 CGADHM C[C@H]1CCC[C@@H]1CC(=O)[N-]OCCCC(F)(F)F ZINC000871214668 633730149 /nfs/dbraw/zinc/73/01/49/633730149.db2.gz IPTDTJBDMVJSBX-VHSXEESVSA-N -1 3 267.291 3.203 20 0 CGADHM Cc1ccc(CCC(=O)[N-]OCCCC(F)(F)F)s1 ZINC000871216543 633730301 /nfs/dbraw/zinc/73/03/01/633730301.db2.gz WJHVOUWVAPIZTN-UHFFFAOYSA-N -1 3 295.326 3.379 20 0 CGADHM CCOc1cccc(F)c1CN[C@@H](CC=C(C)C)C(=O)[O-] ZINC000871875115 633905656 /nfs/dbraw/zinc/90/56/56/633905656.db2.gz FADKENFTYXEUIW-AWEZNQCLSA-N -1 3 295.354 3.124 20 0 CGADHM C[C@H](N[C@@H]1COCc2ccccc21)c1cccc([O-])c1F ZINC000872080815 634005665 /nfs/dbraw/zinc/00/56/65/634005665.db2.gz SNEPAWHOIIVXSW-XHDPSFHLSA-N -1 3 287.334 3.453 20 0 CGADHM CC(C)(CC(F)(F)F)C(=O)[N-]OCc1ccc(F)cc1 ZINC000832162756 634034649 /nfs/dbraw/zinc/03/46/49/634034649.db2.gz JGQYFVFHMRHHBO-UHFFFAOYSA-N -1 3 293.260 3.352 20 0 CGADHM COCCCO[N-]C(=O)C1=C(c2ccccc2)CCCC1 ZINC000832501066 634066848 /nfs/dbraw/zinc/06/68/48/634066848.db2.gz VWVPAIZGRGOENS-UHFFFAOYSA-N -1 3 289.375 3.099 20 0 CGADHM CC(C)n1ccnc1CNCc1ccc([O-])c(Cl)c1 ZINC000873179530 634273667 /nfs/dbraw/zinc/27/36/67/634273667.db2.gz LFSFZYQZHGJAQA-UHFFFAOYSA-N -1 3 279.771 3.113 20 0 CGADHM C[C@@H](CN(C)C(=O)c1ccc(N)cc1[O-])C1CCCCC1 ZINC000877060089 634966382 /nfs/dbraw/zinc/96/63/82/634966382.db2.gz UKBGFNWAJIDDOG-LBPRGKRZSA-N -1 3 290.407 3.263 20 0 CGADHM Cc1ccc(-c2cc(C(=O)OC[C@@H](C)CC(F)F)n[n-]2)o1 ZINC000842440960 635367471 /nfs/dbraw/zinc/36/74/71/635367471.db2.gz WROBMGAYGGZDPQ-QMMMGPOBSA-N -1 3 298.289 3.426 20 0 CGADHM Cc1ccc(-c2cc(C(=O)OC[C@@H](C)CC(F)F)[n-]n2)o1 ZINC000842440960 635367474 /nfs/dbraw/zinc/36/74/74/635367474.db2.gz WROBMGAYGGZDPQ-QMMMGPOBSA-N -1 3 298.289 3.426 20 0 CGADHM O=C([N-][C@H](c1cccc(F)c1F)C(F)(F)F)C1(F)CC1 ZINC000843575858 635710733 /nfs/dbraw/zinc/71/07/33/635710733.db2.gz DQYHBNBDDTYLOA-SECBINFHSA-N -1 3 297.198 3.187 20 0 CGADHM CC(C)(CC(=O)[N-]OC1CCCC1)CC(F)(F)F ZINC000879385581 635775460 /nfs/dbraw/zinc/77/54/60/635775460.db2.gz JGHRGHMKEXKBLN-UHFFFAOYSA-N -1 3 267.291 3.346 20 0 CGADHM CSc1ccc(CCCC(=O)[N-]OCC(C)C)cc1 ZINC000843835912 635787957 /nfs/dbraw/zinc/78/79/57/635787957.db2.gz NBLVNHUFDSKDAC-UHFFFAOYSA-N -1 3 281.421 3.435 20 0 CGADHM CC/C(C)=C(/C)C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000843886908 635791818 /nfs/dbraw/zinc/79/18/18/635791818.db2.gz SWADWAMKNMPJII-KTKRTIGZSA-N -1 3 261.321 3.280 20 0 CGADHM CCCO[N-]C(=O)CC[C@H](O)c1ccc(C(C)(C)C)cc1 ZINC000844086905 635818179 /nfs/dbraw/zinc/81/81/79/635818179.db2.gz CZMDNHIPEPXJEC-HNNXBMFYSA-N -1 3 293.407 3.256 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)N[C@@H](C)c2cc3cnccc3o2)n1 ZINC000879715012 635841990 /nfs/dbraw/zinc/84/19/90/635841990.db2.gz NKERJYRZKMKDAP-WDEREUQCSA-N -1 3 298.346 3.044 20 0 CGADHM CSc1cc(NC([O-])=NO[C@H]2CCCCO2)ccc1C ZINC000844845054 635974015 /nfs/dbraw/zinc/97/40/15/635974015.db2.gz RYLMAILWZHZCTP-ZDUSSCGKSA-N -1 3 296.392 3.297 20 0 CGADHM CSc1cc(NC(=O)[N-]O[C@H]2CCCCO2)ccc1C ZINC000844845054 635974019 /nfs/dbraw/zinc/97/40/19/635974019.db2.gz RYLMAILWZHZCTP-ZDUSSCGKSA-N -1 3 296.392 3.297 20 0 CGADHM C[C@H](CC(=O)Nc1c([O-])cccc1Cl)C1CC1 ZINC000848141097 636533667 /nfs/dbraw/zinc/53/36/67/636533667.db2.gz YADUTEGIHVXVRZ-MRVPVSSYSA-N -1 3 253.729 3.420 20 0 CGADHM CCc1nocc1CO[N-]C(=O)CCC1CCCCC1 ZINC000848509106 636582501 /nfs/dbraw/zinc/58/25/01/636582501.db2.gz SMIXLXZXONAXFI-UHFFFAOYSA-N -1 3 280.368 3.145 20 0 CGADHM Cc1cc(Br)ccc1C=Cc1nccc(=O)[n-]1 ZINC000131749334 636746446 /nfs/dbraw/zinc/74/64/46/636746446.db2.gz SFKVFSJLIREOEV-HWKANZROSA-N -1 3 291.148 3.011 20 0 CGADHM CC[C@H](COC(=O)Cc1ccc([O-])c(F)c1)CC(F)F ZINC000849796131 636877586 /nfs/dbraw/zinc/87/75/86/636877586.db2.gz QXIAVCDBMOUGPK-VIFPVBQESA-N -1 3 290.281 3.298 20 0 CGADHM O=C(OC[C@H](F)C(F)(F)F)c1cc(Cl)c(Cl)[n-]1 ZINC000800125345 636934531 /nfs/dbraw/zinc/93/45/31/636934531.db2.gz KLOHIBDITJWHLH-YFKPBYRVSA-N -1 3 294.031 3.379 20 0 CGADHM O=C(OC[C@@H](F)C(F)(F)F)c1cccc(Cl)c1[O-] ZINC000800193890 636953249 /nfs/dbraw/zinc/95/32/49/636953249.db2.gz MZMUPJNXZQLWIA-SSDOTTSWSA-N -1 3 286.608 3.103 20 0 CGADHM Cc1ccccc1[C@@H](C)OC(=O)c1cccc2nn[n-]c21 ZINC000800208480 636957717 /nfs/dbraw/zinc/95/77/17/636957717.db2.gz JBSFUQSTIMEGJD-LLVKDONJSA-N -1 3 281.315 3.184 20 0 CGADHM Cc1ccccc1[C@@H](C)OC(=O)c1cccc2[n-]nnc21 ZINC000800208480 636957723 /nfs/dbraw/zinc/95/77/23/636957723.db2.gz JBSFUQSTIMEGJD-LLVKDONJSA-N -1 3 281.315 3.184 20 0 CGADHM Cc1ccccc1[C@@H](C)OC(=O)c1cccc2n[n-]nc21 ZINC000800208480 636957725 /nfs/dbraw/zinc/95/77/25/636957725.db2.gz JBSFUQSTIMEGJD-LLVKDONJSA-N -1 3 281.315 3.184 20 0 CGADHM Cc1ccc(-c2cc(C(=O)OCC[C@H]3CC3(F)F)n[n-]2)o1 ZINC000851378364 637372366 /nfs/dbraw/zinc/37/23/66/637372366.db2.gz AELMRJWRFNFXJC-VIFPVBQESA-N -1 3 296.273 3.180 20 0 CGADHM Cc1ccc(-c2cc(C(=O)OCC[C@H]3CC3(F)F)[n-]n2)o1 ZINC000851378364 637372372 /nfs/dbraw/zinc/37/23/72/637372372.db2.gz AELMRJWRFNFXJC-VIFPVBQESA-N -1 3 296.273 3.180 20 0 CGADHM CC1(C)C[C@]1(NC(=O)c1ccc(N)cc1[O-])c1ccccc1 ZINC000852923876 637724244 /nfs/dbraw/zinc/72/42/44/637724244.db2.gz FPKBVHRUUBQOFY-SFHVURJKSA-N -1 3 296.370 3.030 20 0 CGADHM CCc1c(=O)n([C@@H]2CCCSC2)[n-]c1-c1ccccc1 ZINC000887299414 637793675 /nfs/dbraw/zinc/79/36/75/637793675.db2.gz YXOQIJRKBYMHEP-ZIAGYGMSSA-N -1 3 288.416 3.155 20 0 CGADHM CC(F)(F)C(=O)[N-]Cc1cc(Cl)cc(Cl)c1 ZINC000853812343 637931082 /nfs/dbraw/zinc/93/10/82/637931082.db2.gz FLQSGMBIEBXRQN-UHFFFAOYSA-N -1 3 268.090 3.265 20 0 CGADHM Cc1ccc(C(=O)N2CC[C@H](O)c3ccccc32)c([O-])c1C ZINC000889264010 637991930 /nfs/dbraw/zinc/99/19/30/637991930.db2.gz MBWLZVWRFXSATM-INIZCTEOSA-N -1 3 297.354 3.093 20 0 CGADHM CCC1(C(=O)[N-]OC/C=C\Cl)CCC(F)(F)CC1 ZINC000854535062 638067817 /nfs/dbraw/zinc/06/78/17/638067817.db2.gz RETHFEDJESQNNE-BAQGIRSFSA-N -1 3 281.730 3.392 20 0 CGADHM CC(=CC(C)(C)C)C(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000854581401 638073157 /nfs/dbraw/zinc/07/31/57/638073157.db2.gz JAQIEDMDTPLRQW-HJWRWDBZSA-N -1 3 273.336 3.199 20 0 CGADHM COC1CC(CCNC(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000855169941 638151747 /nfs/dbraw/zinc/15/17/47/638151747.db2.gz GZNCJMJQZASJJL-UHFFFAOYSA-N -1 3 299.370 3.090 20 0 CGADHM O=C(CCc1ccc(Cl)cc1)[N-]OCC1CCC1 ZINC000856344568 638345944 /nfs/dbraw/zinc/34/59/44/638345944.db2.gz MYDGXQXNUWSHDG-UHFFFAOYSA-N -1 3 267.756 3.121 20 0 CGADHM CC(C)O[N-]C(=O)CCCOc1ccc2c(c1)CCCC2 ZINC000857522434 638512834 /nfs/dbraw/zinc/51/28/34/638512834.db2.gz IVVZVXWRJNPTRT-UHFFFAOYSA-N -1 3 291.391 3.181 20 0 CGADHM CC1(C)CCN1C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000857711968 638559093 /nfs/dbraw/zinc/55/90/93/638559093.db2.gz DEXQPPFIOFWHCT-UHFFFAOYSA-N -1 3 273.254 3.036 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC000927324209 638854585 /nfs/dbraw/zinc/85/45/85/638854585.db2.gz XTSHLYATWCMAAQ-HNAYVOBHSA-N -1 3 293.366 3.114 20 0 CGADHM CC(C)c1ccc(NC(=O)c2[n-]cnc2C(F)(F)F)cn1 ZINC000928617280 638886791 /nfs/dbraw/zinc/88/67/91/638886791.db2.gz VAIROTJMYLYSHV-UHFFFAOYSA-N -1 3 298.268 3.199 20 0 CGADHM CC(C)c1ccc(NC(=O)c2nc[n-]c2C(F)(F)F)cn1 ZINC000928617280 638886792 /nfs/dbraw/zinc/88/67/92/638886792.db2.gz VAIROTJMYLYSHV-UHFFFAOYSA-N -1 3 298.268 3.199 20 0 CGADHM CC(C)CO[N-]C(=O)Cc1cc(Cl)cc(Cl)c1 ZINC000860346281 639334810 /nfs/dbraw/zinc/33/48/10/639334810.db2.gz XGGMSVJJAMXFKA-UHFFFAOYSA-N -1 3 276.163 3.240 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N[C@@H](C)c2ccc(F)cc2C)n1 ZINC000932562848 639354353 /nfs/dbraw/zinc/35/43/53/639354353.db2.gz TVRIKOJSSGQQQT-RYUDHWBXSA-N -1 3 289.354 3.350 20 0 CGADHM Cc1ccc(NC([O-])=NO[C@H]2CCCCO2)cc1Cl ZINC000155415925 639933705 /nfs/dbraw/zinc/93/37/05/639933705.db2.gz MJCKSMISDCTGDZ-LBPRGKRZSA-N -1 3 284.743 3.228 20 0 CGADHM Cc1ccc(NC(=O)[N-]O[C@H]2CCCCO2)cc1Cl ZINC000155415925 639933712 /nfs/dbraw/zinc/93/37/12/639933712.db2.gz MJCKSMISDCTGDZ-LBPRGKRZSA-N -1 3 284.743 3.228 20 0 CGADHM O=C1N[C@@H](c2ccc([O-])c(F)c2)Nc2cc(Cl)ccc21 ZINC000159032284 640028096 /nfs/dbraw/zinc/02/80/96/640028096.db2.gz QLLCHCLXLHIKDY-ZDUSSCGKSA-N -1 3 292.697 3.039 20 0 CGADHM CCO[N-]C(=O)CCCn1ccc2cc(Cl)ccc21 ZINC000089642030 640653520 /nfs/dbraw/zinc/65/35/20/640653520.db2.gz FZYFFSFGHNQOKG-UHFFFAOYSA-N -1 3 280.755 3.143 20 0 CGADHM Cc1csc(-c2nc3c([n-]2)c(F)c(F)cc3F)n1 ZINC001250489244 805648343 /nfs/dbraw/zinc/64/83/43/805648343.db2.gz DOFNAVHKACLGSB-UHFFFAOYSA-N -1 3 269.251 3.412 20 0 CGADHM Cc1csc(-c2nc3c([n-]2)c(F)cc(F)c3F)n1 ZINC001250489244 805648348 /nfs/dbraw/zinc/64/83/48/805648348.db2.gz DOFNAVHKACLGSB-UHFFFAOYSA-N -1 3 269.251 3.412 20 0 CGADHM [O-]c1ccc(OC(F)(F)F)cc1-c1ccccn1 ZINC001250513472 805666671 /nfs/dbraw/zinc/66/66/71/805666671.db2.gz DGKDIABGWDMHST-UHFFFAOYSA-N -1 3 255.195 3.353 20 0 CGADHM CC(=O)c1ccc2c(c1)nc(-c1ccc([O-])cc1F)n2C ZINC001250846390 805788036 /nfs/dbraw/zinc/78/80/36/805788036.db2.gz WRUALNKVCSEIOI-UHFFFAOYSA-N -1 3 284.290 3.288 20 0 CGADHM [O-]c1c(Cl)cc(Cl)cc1NC[C@H](O)C(F)(F)F ZINC001250981123 805816616 /nfs/dbraw/zinc/81/66/16/805816616.db2.gz OJBBYIQLUDLSNR-ZETCQYMHSA-N -1 3 290.068 3.034 20 0 CGADHM [O-]c1cc(F)cc(-c2nc3c(cc(F)cc3F)[nH]2)c1 ZINC001251570781 805909077 /nfs/dbraw/zinc/90/90/77/805909077.db2.gz YWHHXTBDMCOIAB-UHFFFAOYSA-N -1 3 264.206 3.353 20 0 CGADHM COc1cc2ccnc(NCc3ncccc3[O-])c2cc1F ZINC001158776297 806002343 /nfs/dbraw/zinc/00/23/43/806002343.db2.gz VFMGVROPNHFMPN-UHFFFAOYSA-N -1 3 299.305 3.095 20 0 CGADHM COc1cccc(-c2nnc(-c3c(C)cc(O)cc3[O-])o2)c1 ZINC001253356026 806209405 /nfs/dbraw/zinc/20/94/05/806209405.db2.gz BXRYSJOPNOCRMX-UHFFFAOYSA-N -1 3 298.298 3.132 20 0 CGADHM CCCCC[C@H](O)CNc1cc([O-])c(F)cc1F ZINC001253543591 806244836 /nfs/dbraw/zinc/24/48/36/806244836.db2.gz FOGOMFJRVIRWGS-VIFPVBQESA-N -1 3 259.296 3.024 20 0 CGADHM CC(C)c1ccc([C@@H](C)CC(=O)Nc2ccncc2[O-])cc1 ZINC001160739574 806298799 /nfs/dbraw/zinc/29/87/99/806298799.db2.gz OVILZUWDUIJOBJ-ZDUSSCGKSA-N -1 3 298.386 3.465 20 0 CGADHM CC(C)[C@@H](O)CNc1cc(Cl)cc(Cl)c1[O-] ZINC001253771945 806305687 /nfs/dbraw/zinc/30/56/87/806305687.db2.gz WKXMVRKUBPZIMN-JTQLQIEISA-N -1 3 264.152 3.128 20 0 CGADHM CCCCS(=O)(=O)[N-]c1ccccc1-c1ccco1 ZINC001253870825 806316899 /nfs/dbraw/zinc/31/68/99/806316899.db2.gz FFKZIKGZBYMQEN-UHFFFAOYSA-N -1 3 279.361 3.488 20 0 CGADHM COc1ccc(Cc2nnc(-c3c(C)cccc3[O-])o2)cc1 ZINC001254801947 806490663 /nfs/dbraw/zinc/49/06/63/806490663.db2.gz MXDGSXCVGAQRCV-UHFFFAOYSA-N -1 3 296.326 3.350 20 0 CGADHM O=c1[n-]c(NCCC2CCOCC2)c(Cl)cc1Cl ZINC001162217613 806530608 /nfs/dbraw/zinc/53/06/08/806530608.db2.gz ZZOSAXIZXJDDCI-UHFFFAOYSA-N -1 3 291.178 3.323 20 0 CGADHM CCc1nnc(-c2c[n-]c(=NC(=O)OC(C)(C)C)s2)o1 ZINC001255113863 806547200 /nfs/dbraw/zinc/54/72/00/806547200.db2.gz IIMYCLMXCBTNLI-UHFFFAOYSA-N -1 3 296.352 3.103 20 0 CGADHM [O-]c1ccc2ccccc2c1-c1nnc([C@H]2CCOC2)o1 ZINC001255523999 806662358 /nfs/dbraw/zinc/66/23/58/806662358.db2.gz MQRUUWRULLZJNX-NSHDSACASA-N -1 3 282.299 3.099 20 0 CGADHM Cc1ccc(OCCC(=O)[N-]OC2CCCC2)cc1C ZINC000135130938 799036511 /nfs/dbraw/zinc/03/65/11/799036511.db2.gz VDXSAQURCSKIQT-UHFFFAOYSA-N -1 3 277.364 3.063 20 0 CGADHM CCCCCCOc1ccc(CN2CC(C(=O)[O-])C2)cc1 ZINC000145930367 799048283 /nfs/dbraw/zinc/04/82/83/799048283.db2.gz DOMPHDRSHBNCGD-UHFFFAOYSA-N -1 3 291.391 3.162 20 0 CGADHM CCC1CCC(N[C@H](C)c2ncc(C(=O)[O-])s2)CC1 ZINC000315322297 799235354 /nfs/dbraw/zinc/23/53/54/799235354.db2.gz LPVATZXCMULEOT-KPPDAEKUSA-N -1 3 282.409 3.461 20 0 CGADHM C[C@@H](NC(=O)c1cc([O-])c2ccccc2c1)c1cccnc1 ZINC000354283160 799331613 /nfs/dbraw/zinc/33/16/13/799331613.db2.gz STVBHROEOJEDTM-GFCCVEGCSA-N -1 3 292.338 3.431 20 0 CGADHM COc1cccc([O-])c1C(=O)N1CC=C(C(C)(C)C)CC1 ZINC000405218449 799582571 /nfs/dbraw/zinc/58/25/71/799582571.db2.gz AFHGKCPMTMGEHQ-UHFFFAOYSA-N -1 3 289.375 3.219 20 0 CGADHM Cc1ccc(CN2CCC3(C[C@@H]3C(=O)[O-])CC2)cc1Cl ZINC000405320095 799582691 /nfs/dbraw/zinc/58/26/91/799582691.db2.gz NUPMIVYOPVMMSK-CYBMUJFWSA-N -1 3 293.794 3.335 20 0 CGADHM CN(C)c1ccccc1-c1noc(-c2ccccc2[O-])n1 ZINC000436902933 799612556 /nfs/dbraw/zinc/61/25/56/799612556.db2.gz LGUNQCMNAQOAEI-UHFFFAOYSA-N -1 3 281.315 3.175 20 0 CGADHM Cc1scc(CNCc2csc(C(=O)[O-])c2)c1C ZINC000689095132 799760404 /nfs/dbraw/zinc/76/04/04/799760404.db2.gz ZSVZLECVRIIUEX-UHFFFAOYSA-N -1 3 281.402 3.414 20 0 CGADHM CCc1ccc(CNCc2csc(C(=O)[O-])c2)s1 ZINC000689142919 799760974 /nfs/dbraw/zinc/76/09/74/799760974.db2.gz XRYLVTAGHFPHSB-UHFFFAOYSA-N -1 3 281.402 3.360 20 0 CGADHM O=C([O-])c1csc(CN2CCCC(F)(F)CC2)c1 ZINC000711418925 800056377 /nfs/dbraw/zinc/05/63/77/800056377.db2.gz YZJBHFVDFCXDQN-UHFFFAOYSA-N -1 3 275.320 3.068 20 0 CGADHM [O-]c1ccc(CNCc2nc3c(s2)CCCC3)cc1F ZINC000719539900 800242592 /nfs/dbraw/zinc/24/25/92/800242592.db2.gz NBCGUJCNFVZZEE-UHFFFAOYSA-N -1 3 292.379 3.156 20 0 CGADHM C[C@@H]1CN(Cc2c(F)cccc2Cl)C[C@H]1CC(=O)[O-] ZINC000722604749 800324006 /nfs/dbraw/zinc/32/40/06/800324006.db2.gz UGVCLPLPDAODTD-NXEZZACHSA-N -1 3 285.746 3.022 20 0 CGADHM O=C([N-]C1(C(F)F)CCCC1)C(F)(F)c1ccccc1 ZINC000809369913 800432685 /nfs/dbraw/zinc/43/26/85/800432685.db2.gz AZAYUPYJVMHTOO-UHFFFAOYSA-N -1 3 289.272 3.473 20 0 CGADHM C[C@H]1CCN(C(=O)c2ccc(N)cc2[O-])[C@H]1c1ccccc1 ZINC001119382795 802657304 /nfs/dbraw/zinc/65/73/04/802657304.db2.gz DKMRDKXKWGAITE-YVEFUNNKSA-N -1 3 296.370 3.198 20 0 CGADHM CCc1cccc(C(=O)N2CC[C@H]2C(C)(C)C)c1[O-] ZINC001120765545 802774975 /nfs/dbraw/zinc/77/49/75/802774975.db2.gz LSFFVFYTUZQHQQ-ZDUSSCGKSA-N -1 3 261.365 3.215 20 0 CGADHM COc1cc(C)cc(Nc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC001211722518 814936533 /nfs/dbraw/zinc/93/65/33/814936533.db2.gz CEJYXMLOXPZZEX-UHFFFAOYSA-N -1 3 271.320 3.120 20 0 CGADHM Cc1cc(F)cc(C)c1-c1cccc(-c2nnn[n-]2)c1 ZINC001243926406 803078651 /nfs/dbraw/zinc/07/86/51/803078651.db2.gz SDATWVZTLBFPNS-UHFFFAOYSA-N -1 3 268.295 3.290 20 0 CGADHM Cc1cc(F)cc(C)c1-c1cccc(-c2nn[n-]n2)c1 ZINC001243926406 803078658 /nfs/dbraw/zinc/07/86/58/803078658.db2.gz SDATWVZTLBFPNS-UHFFFAOYSA-N -1 3 268.295 3.290 20 0 CGADHM COc1c(F)nccc1-c1c([O-])cccc1Cl ZINC001244033780 803153496 /nfs/dbraw/zinc/15/34/96/803153496.db2.gz QEMSELSBHDPZPH-UHFFFAOYSA-N -1 3 253.660 3.255 20 0 CGADHM Fc1ccc(-c2ccccc2-c2nnn[n-]2)c(F)c1Cl ZINC001244035429 803154326 /nfs/dbraw/zinc/15/43/26/803154326.db2.gz NACCVLPFJINVIJ-UHFFFAOYSA-N -1 3 292.676 3.465 20 0 CGADHM Fc1ccc(-c2ccccc2-c2nn[n-]n2)c(F)c1Cl ZINC001244035429 803154331 /nfs/dbraw/zinc/15/43/31/803154331.db2.gz NACCVLPFJINVIJ-UHFFFAOYSA-N -1 3 292.676 3.465 20 0 CGADHM COCOc1cncc(-c2c([O-])cccc2Cl)c1 ZINC001244046312 803158992 /nfs/dbraw/zinc/15/89/92/803158992.db2.gz GANLUGJCJWXKBL-UHFFFAOYSA-N -1 3 265.696 3.090 20 0 CGADHM COc1ccc(-c2ccc(Cl)cc2[O-])c(OC)n1 ZINC001244469177 803386249 /nfs/dbraw/zinc/38/62/49/803386249.db2.gz DYNQUBHBLHCVTI-UHFFFAOYSA-N -1 3 265.696 3.125 20 0 CGADHM Cc1cc(-c2ccc(Cl)cc2[O-])cc2c1OCC(=O)N2 ZINC001244472787 803389361 /nfs/dbraw/zinc/38/93/61/803389361.db2.gz PZPAUSUZPDJHHZ-UHFFFAOYSA-N -1 3 289.718 3.352 20 0 CGADHM COc1cnc(-c2cc(C)c(F)c([O-])c2)nc1NC(C)C ZINC001244495633 803404011 /nfs/dbraw/zinc/40/40/11/803404011.db2.gz FZFPLXJMGOTIIT-UHFFFAOYSA-N -1 3 291.326 3.126 20 0 CGADHM CN(C)c1ccnc(-c2cc(F)c([O-])c(Cl)c2)c1 ZINC001244501105 803407805 /nfs/dbraw/zinc/40/78/05/803407805.db2.gz RFRMJZRVUOLKPA-UHFFFAOYSA-N -1 3 266.703 3.313 20 0 CGADHM Cc1cc(-c2cc(CC(C)C)ncn2)cc([O-])c1F ZINC001244506880 803411668 /nfs/dbraw/zinc/41/16/68/803411668.db2.gz JLDMMIMECUUIGL-UHFFFAOYSA-N -1 3 260.312 3.495 20 0 CGADHM CCOC(=O)c1cc(-c2cc(C)c(F)c([O-])c2)ccn1 ZINC001244515787 803413479 /nfs/dbraw/zinc/41/34/79/803413479.db2.gz NOXACHDFWWMKTC-UHFFFAOYSA-N -1 3 275.279 3.078 20 0 CGADHM Cc1ccc(-c2cc(C)c(F)c([O-])c2)cc1S(C)(=O)=O ZINC001244514727 803413812 /nfs/dbraw/zinc/41/38/12/803413812.db2.gz AFPRGWPJKXIYNA-UHFFFAOYSA-N -1 3 294.347 3.219 20 0 CGADHM COC(=O)c1cc(OC)ccc1-c1cc(C)c(F)c([O-])c1 ZINC001244515252 803414240 /nfs/dbraw/zinc/41/42/40/803414240.db2.gz HDXJISNOQABPNA-UHFFFAOYSA-N -1 3 290.290 3.302 20 0 CGADHM COC(=O)[C@@H](C)c1ccc(-c2cc(C)c(F)c([O-])c2)nc1 ZINC001244519318 803415462 /nfs/dbraw/zinc/41/54/62/803415462.db2.gz YRCWPSXQSPWRQB-JTQLQIEISA-N -1 3 289.306 3.178 20 0 CGADHM COC(=O)c1cc(OC)cc(-c2cc(C)c(F)c([O-])c2)c1 ZINC001244524350 803417495 /nfs/dbraw/zinc/41/74/95/803417495.db2.gz BYQYHJCAJGQCSR-UHFFFAOYSA-N -1 3 290.290 3.302 20 0 CGADHM Cc1cc(-c2ccc(=O)n(CC3CC3)c2)cc([O-])c1F ZINC001244524786 803417797 /nfs/dbraw/zinc/41/77/97/803417797.db2.gz GKKKZINVBAPEDL-UHFFFAOYSA-N -1 3 273.307 3.078 20 0 CGADHM Cc1cc(Cl)ncc1-c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001244919467 803577224 /nfs/dbraw/zinc/57/72/24/803577224.db2.gz WFWXGIRGOBJDDW-UHFFFAOYSA-N -1 3 289.701 3.030 20 0 CGADHM Cc1cc(Cl)ncc1-c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001244919467 803577225 /nfs/dbraw/zinc/57/72/25/803577225.db2.gz WFWXGIRGOBJDDW-UHFFFAOYSA-N -1 3 289.701 3.030 20 0 CGADHM O=C([N-]c1ccc(F)cc1F)c1conc1C(F)(F)F ZINC001135583513 803605969 /nfs/dbraw/zinc/60/59/69/803605969.db2.gz YHTHTJMEUORTBH-UHFFFAOYSA-N -1 3 292.163 3.224 20 0 CGADHM Fc1cc(Cl)c(-c2cccc(-c3nnn[n-]3)c2)cc1F ZINC001245017756 803612984 /nfs/dbraw/zinc/61/29/84/803612984.db2.gz UJVHEBCVJDRDTM-UHFFFAOYSA-N -1 3 292.676 3.465 20 0 CGADHM Fc1cc(Cl)c(-c2cccc(-c3nn[n-]n3)c2)cc1F ZINC001245017756 803612986 /nfs/dbraw/zinc/61/29/86/803612986.db2.gz UJVHEBCVJDRDTM-UHFFFAOYSA-N -1 3 292.676 3.465 20 0 CGADHM COC(=O)c1cnc(-c2ccc([O-])cc2Cl)cc1F ZINC001245079077 803634496 /nfs/dbraw/zinc/63/44/96/803634496.db2.gz KYNVWNYAECHIRS-UHFFFAOYSA-N -1 3 281.670 3.033 20 0 CGADHM CSc1cnc(-c2ccc([O-])cc2Cl)cn1 ZINC001245082417 803636787 /nfs/dbraw/zinc/63/67/87/803636787.db2.gz VLLJZFLBTXBLPT-UHFFFAOYSA-N -1 3 252.726 3.225 20 0 CGADHM CCOc1ncc(F)c(-c2ccc([O-])cc2Cl)n1 ZINC001245082118 803636793 /nfs/dbraw/zinc/63/67/93/803636793.db2.gz SZRFSACNICDZAD-UHFFFAOYSA-N -1 3 268.675 3.040 20 0 CGADHM Cc1noc2ccc(-c3cc(-c4nnn[n-]4)ccc3F)cc12 ZINC001245282143 803692075 /nfs/dbraw/zinc/69/20/75/803692075.db2.gz PWDIKIQTJJEAIA-UHFFFAOYSA-N -1 3 295.277 3.122 20 0 CGADHM Cc1noc2ccc(-c3cc(-c4nn[n-]n4)ccc3F)cc12 ZINC001245282143 803692076 /nfs/dbraw/zinc/69/20/76/803692076.db2.gz PWDIKIQTJJEAIA-UHFFFAOYSA-N -1 3 295.277 3.122 20 0 CGADHM O=c1cc(Nc2ccc(O)c(F)c2F)n(C2CCCC2)[n-]1 ZINC001211999910 814964602 /nfs/dbraw/zinc/96/46/02/814964602.db2.gz BSZQVKUZZODHGL-UHFFFAOYSA-N -1 3 295.289 3.431 20 0 CGADHM [O-]c1ccc(Nc2ncc(F)cc2F)c(F)c1F ZINC001212000232 814964631 /nfs/dbraw/zinc/96/46/31/814964631.db2.gz UOCVNGWAWBKGCW-UHFFFAOYSA-N -1 3 258.174 3.087 20 0 CGADHM [O-]c1ccc(Nc2cccc3c2OCC[C@@H]3O)c(F)c1F ZINC001212013626 814967190 /nfs/dbraw/zinc/96/71/90/814967190.db2.gz AUDXBLNDHOSSAL-NSHDSACASA-N -1 3 293.269 3.230 20 0 CGADHM COC(=O)c1cc(F)cc(Nc2ccc([O-])c(F)c2F)c1 ZINC001212010959 814967273 /nfs/dbraw/zinc/96/72/73/814967273.db2.gz JZSJMYYCXIAXHX-UHFFFAOYSA-N -1 3 297.232 3.340 20 0 CGADHM Cn1c(Nc2cc(=O)[n-]c(C3CC3)n2)cc2ccccc21 ZINC001212043059 814968625 /nfs/dbraw/zinc/96/86/25/814968625.db2.gz KYPNQNSWCIHDOU-UHFFFAOYSA-N -1 3 280.331 3.295 20 0 CGADHM Fc1ccc2cc(-c3cc(F)cc(-c4nnn[n-]4)c3)[nH]c2c1 ZINC001245590763 803838329 /nfs/dbraw/zinc/83/83/29/803838329.db2.gz XRAVEOAWWYSCOA-UHFFFAOYSA-N -1 3 297.268 3.293 20 0 CGADHM Fc1ccc2cc(-c3cc(F)cc(-c4nn[n-]n4)c3)[nH]c2c1 ZINC001245590763 803838335 /nfs/dbraw/zinc/83/83/35/803838335.db2.gz XRAVEOAWWYSCOA-UHFFFAOYSA-N -1 3 297.268 3.293 20 0 CGADHM CC(=O)Nc1ccc(-c2c([O-])cccc2F)c(F)c1 ZINC001245656869 803890899 /nfs/dbraw/zinc/89/08/99/803890899.db2.gz WNLIKTBVSARJHX-UHFFFAOYSA-N -1 3 263.243 3.296 20 0 CGADHM COC(OC)c1ccc(-c2c([O-])cccc2F)cc1 ZINC001245657439 803892343 /nfs/dbraw/zinc/89/23/43/803892343.db2.gz NNAMFWSTDDGCRK-UHFFFAOYSA-N -1 3 262.280 3.490 20 0 CGADHM COc1cc(C)c(-c2ccccc2-c2nnn[n-]2)c(C)c1 ZINC001245679192 803906619 /nfs/dbraw/zinc/90/66/19/803906619.db2.gz IWLVBLYQXLXQBG-UHFFFAOYSA-N -1 3 280.331 3.159 20 0 CGADHM COc1cc(C)c(-c2ccccc2-c2nn[n-]n2)c(C)c1 ZINC001245679192 803906626 /nfs/dbraw/zinc/90/66/26/803906626.db2.gz IWLVBLYQXLXQBG-UHFFFAOYSA-N -1 3 280.331 3.159 20 0 CGADHM COc1cc(C)c(-c2cc(-c3nnn[n-]3)ccc2F)c(C)c1 ZINC001245681196 803907963 /nfs/dbraw/zinc/90/79/63/803907963.db2.gz RREQBOGQFYRNJN-UHFFFAOYSA-N -1 3 298.321 3.298 20 0 CGADHM COc1cc(C)c(-c2cc(-c3nn[n-]n3)ccc2F)c(C)c1 ZINC001245681196 803907970 /nfs/dbraw/zinc/90/79/70/803907970.db2.gz RREQBOGQFYRNJN-UHFFFAOYSA-N -1 3 298.321 3.298 20 0 CGADHM Cc1c(F)ccc(-c2ccc(-c3nnn[n-]3)c(F)c2)c1F ZINC001245692537 803913294 /nfs/dbraw/zinc/91/32/94/803913294.db2.gz KRFAPSZDGKXNKB-UHFFFAOYSA-N -1 3 290.248 3.259 20 0 CGADHM Cc1c(F)ccc(-c2ccc(-c3nn[n-]n3)c(F)c2)c1F ZINC001245692537 803913299 /nfs/dbraw/zinc/91/32/99/803913299.db2.gz KRFAPSZDGKXNKB-UHFFFAOYSA-N -1 3 290.248 3.259 20 0 CGADHM COc1cc(-c2ccc(=S)[n-]n2)c(F)c(F)c1Cl ZINC001245857306 804000111 /nfs/dbraw/zinc/00/01/11/804000111.db2.gz IBHNNDUUBDJKFB-UHFFFAOYSA-N -1 3 288.706 3.373 20 0 CGADHM Cc1cc(Nc2ncc(Br)cc2[O-])cnc1F ZINC001212176040 814988519 /nfs/dbraw/zinc/98/85/19/814988519.db2.gz RCZDNJPTHCUQIE-UHFFFAOYSA-N -1 3 298.115 3.136 20 0 CGADHM O=C(Nc1[nH][n-]c2cc(=O)ccc1-2)c1cccc(C2CC2)c1 ZINC001141301991 804628252 /nfs/dbraw/zinc/62/82/52/804628252.db2.gz KALIUMUQFLUZRJ-UHFFFAOYSA-N -1 3 293.326 3.398 20 0 CGADHM O=C(Nc1c([O-])cccc1Cl)c1cc2occc2[nH]1 ZINC001141467315 804644135 /nfs/dbraw/zinc/64/41/35/804644135.db2.gz QTFWZHHCFQMSIL-UHFFFAOYSA-N -1 3 276.679 3.372 20 0 CGADHM COc1ccc(Cl)c(Nc2cc(F)cc(F)c2[O-])n1 ZINC001212481906 815035709 /nfs/dbraw/zinc/03/57/09/815035709.db2.gz QIAJZUPDCUESTH-UHFFFAOYSA-N -1 3 286.665 3.471 20 0 CGADHM COC[C@@H]1CCN(Cc2c(Cl)cc([O-])cc2Cl)C1 ZINC001142105517 804695074 /nfs/dbraw/zinc/69/50/74/804695074.db2.gz DJKNMAXIFDOJHV-SECBINFHSA-N -1 3 290.190 3.167 20 0 CGADHM CCCc1cc(Nc2cc(F)cc(F)c2[O-])on1 ZINC001212477865 815034280 /nfs/dbraw/zinc/03/42/80/815034280.db2.gz OKDYWNLEQZBQJL-UHFFFAOYSA-N -1 3 254.236 3.355 20 0 CGADHM O=C(Cc1csc2ccccc12)Nc1cncc([O-])c1 ZINC001142499399 804726854 /nfs/dbraw/zinc/72/68/54/804726854.db2.gz NLGQMKJKLRBRDI-UHFFFAOYSA-N -1 3 284.340 3.183 20 0 CGADHM CCOC1CCN(Cc2ccc(Cl)cc2C(=O)[O-])CC1 ZINC001142657255 804750354 /nfs/dbraw/zinc/75/03/54/804750354.db2.gz SGFQSMYPQOFKBV-UHFFFAOYSA-N -1 3 297.782 3.039 20 0 CGADHM Cc1cc(-c2noc(Cc3ccc([O-])c(F)c3)n2)cc(C)n1 ZINC001247571992 804776779 /nfs/dbraw/zinc/77/67/79/804776779.db2.gz SVEJLXARCLXFOF-UHFFFAOYSA-N -1 3 299.305 3.184 20 0 CGADHM [O-]c1c(F)cc(F)cc1Nc1ncc(O)cc1Cl ZINC001212483988 815036590 /nfs/dbraw/zinc/03/65/90/815036590.db2.gz DBDVVCXFYQNICT-UHFFFAOYSA-N -1 3 272.638 3.168 20 0 CGADHM CC1(C)COc2cc(Nc3cc(F)cc(F)c3[O-])nn2C1 ZINC001212484066 815036973 /nfs/dbraw/zinc/03/69/73/815036973.db2.gz IEEMGHMQZFSYPD-UHFFFAOYSA-N -1 3 295.289 3.029 20 0 CGADHM Nc1ccc2nn(-c3cc(F)cc(F)c3[O-])cc2c1Cl ZINC001212487475 815038310 /nfs/dbraw/zinc/03/83/10/815038310.db2.gz MZWXCTONSMLCER-UHFFFAOYSA-N -1 3 295.676 3.245 20 0 CGADHM CSCCCNC(=S)Nc1c([O-])cccc1Cl ZINC001247864406 804847871 /nfs/dbraw/zinc/84/78/71/804847871.db2.gz GPMQSRVUTUKEAL-UHFFFAOYSA-N -1 3 290.841 3.085 20 0 CGADHM CCc1ccc(C(=O)N[C@@H](C)Cc2cccs2)c([O-])c1 ZINC001144099138 804934858 /nfs/dbraw/zinc/93/48/58/804934858.db2.gz RXTZFWYPJZLHFN-NSHDSACASA-N -1 3 289.400 3.377 20 0 CGADHM C[C@@H]1CCCN(Cc2c(F)cc([O-])cc2F)[C@H]1C ZINC001144555220 805004313 /nfs/dbraw/zinc/00/43/13/805004313.db2.gz ZSSPZYQFYBBVKS-ZJUUUORDSA-N -1 3 255.308 3.291 20 0 CGADHM CCC[C@H]1CC[C@H](C(=O)Nc2cncc([O-])c2)CC1 ZINC001144636834 805018274 /nfs/dbraw/zinc/01/82/74/805018274.db2.gz UDQLUZSWBQMJRH-HAQNSBGRSA-N -1 3 262.353 3.332 20 0 CGADHM O=C([O-])c1ccsc1CN1CCc2ccccc2C1 ZINC001144665715 805026893 /nfs/dbraw/zinc/02/68/93/805026893.db2.gz STVILARAKOSCJK-UHFFFAOYSA-N -1 3 273.357 3.005 20 0 CGADHM Cc1ccc(C(=O)N(C)Cc2nc3ccccc3o2)c([O-])c1 ZINC001148504365 805191891 /nfs/dbraw/zinc/19/18/91/805191891.db2.gz MKNJKFYZHWDUAH-UHFFFAOYSA-N -1 3 296.326 3.114 20 0 CGADHM Cc1ccc(C(=O)N(C)CCC(=O)c2ccccc2)c([O-])c1 ZINC001148504179 805191916 /nfs/dbraw/zinc/19/19/16/805191916.db2.gz LFIODEVFJUOVBM-UHFFFAOYSA-N -1 3 297.354 3.046 20 0 CGADHM Nc1cc(F)cc(Nc2cc(=O)[n-]c(C3CC3)n2)c1Cl ZINC001249646777 805200613 /nfs/dbraw/zinc/20/06/13/805200613.db2.gz BGVAJVUBHFQJAF-UHFFFAOYSA-N -1 3 294.717 3.178 20 0 CGADHM CC(=O)c1cc(C(=O)Nc2cccc3cc[nH]c32)ccc1[O-] ZINC001148665170 805203582 /nfs/dbraw/zinc/20/35/82/805203582.db2.gz YGHATHMMUYELHD-UHFFFAOYSA-N -1 3 294.310 3.328 20 0 CGADHM C=Cc1ccc(CNC(=O)c2ccc([O-])c(C(C)=O)c2)cc1 ZINC001148668619 805204902 /nfs/dbraw/zinc/20/49/02/805204902.db2.gz FEMSMQBKCJKSRZ-UHFFFAOYSA-N -1 3 295.338 3.168 20 0 CGADHM Cc1ncc(Nc2cc3c(cccc3Cl)[nH]2)c(=O)[n-]1 ZINC001249860648 805266093 /nfs/dbraw/zinc/26/60/93/805266093.db2.gz AMAYKQQFZFNJCY-UHFFFAOYSA-N -1 3 274.711 3.369 20 0 CGADHM CSc1cccc(C(=O)Nc2cc(Cl)ccc2[O-])n1 ZINC001151753443 805310718 /nfs/dbraw/zinc/31/07/18/805310718.db2.gz LJEYUQBNZVWJGK-UHFFFAOYSA-N -1 3 294.763 3.415 20 0 CGADHM CCON(CC)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001152141642 805336209 /nfs/dbraw/zinc/33/62/09/805336209.db2.gz FHPWLXPVHYKMPR-UHFFFAOYSA-N -1 3 299.370 3.397 20 0 CGADHM Cc1cc(Cl)cc(-c2noc(-c3ccc([O-])cn3)n2)c1 ZINC001212557901 815068454 /nfs/dbraw/zinc/06/84/54/815068454.db2.gz HFVGDTFFIGLVGA-UHFFFAOYSA-N -1 3 287.706 3.466 20 0 CGADHM CSc1ccc([O-])c(C(=O)NCCSCC(C)C)c1 ZINC001153552960 805401957 /nfs/dbraw/zinc/40/19/57/805401957.db2.gz SOTQSOHTQIGNGI-UHFFFAOYSA-N -1 3 299.461 3.233 20 0 CGADHM C[C@H]1CN(C(=O)c2c(O)cc3ccccc3c2[O-])C2(CC2)C1 ZINC001154025303 805427533 /nfs/dbraw/zinc/42/75/33/805427533.db2.gz DETBCTHQLSQVQF-LLVKDONJSA-N -1 3 297.354 3.266 20 0 CGADHM Nc1ccnc(Cl)c1Nc1ccc(Cl)c([O-])c1 ZINC001212588476 815077683 /nfs/dbraw/zinc/07/76/83/815077683.db2.gz QQTMAYONVWHNAL-UHFFFAOYSA-N -1 3 270.119 3.420 20 0 CGADHM Cc1cc2ncc(Nc3ccc(Cl)c([O-])c3)cn2n1 ZINC001212589609 815078707 /nfs/dbraw/zinc/07/87/07/815078707.db2.gz UWHMHGFCXIOYQN-UHFFFAOYSA-N -1 3 274.711 3.140 20 0 CGADHM COC(=O)c1cccc(Cc2cccc(Cl)c2[O-])c1 ZINC001250192766 805480460 /nfs/dbraw/zinc/48/04/60/805480460.db2.gz UFYUBOXPJHVBLT-UHFFFAOYSA-N -1 3 276.719 3.423 20 0 CGADHM COC(=O)c1cccc(Cc2cc(F)cc(F)c2[O-])c1 ZINC001250192860 805480587 /nfs/dbraw/zinc/48/05/87/805480587.db2.gz WRVCJFPHCSGRFO-UHFFFAOYSA-N -1 3 278.254 3.048 20 0 CGADHM COC(=O)c1cc(Nc2ccc(Cl)c([O-])c2)ccc1O ZINC001212592477 815080302 /nfs/dbraw/zinc/08/03/02/815080302.db2.gz RXPGKIFVVXKIOU-UHFFFAOYSA-N -1 3 293.706 3.281 20 0 CGADHM COc1ccncc1Nc1c(F)ccc([O-])c1Cl ZINC001250228460 805504690 /nfs/dbraw/zinc/50/46/90/805504690.db2.gz BWAUDXSTCJKZNU-UHFFFAOYSA-N -1 3 268.675 3.332 20 0 CGADHM Clc1cc(-c2nnc(CC3CCCCC3)o2)[n-]n1 ZINC001257056245 807038663 /nfs/dbraw/zinc/03/86/63/807038663.db2.gz YLVYZVITUUQZOI-UHFFFAOYSA-N -1 3 266.732 3.236 20 0 CGADHM CC(C)OCCCNc1cc(C(F)(F)F)[n-]c(=S)n1 ZINC001168676602 807472879 /nfs/dbraw/zinc/47/28/79/807472879.db2.gz FOTPCNTUXWGNSK-UHFFFAOYSA-N -1 3 295.330 3.011 20 0 CGADHM C[C@H]1C[C@H](Nc2ccc(=S)[n-]n2)c2ccccc21 ZINC001169363687 807631441 /nfs/dbraw/zinc/63/14/41/807631441.db2.gz JHBZWWOSESLAMR-CABZTGNLSA-N -1 3 257.362 3.426 20 0 CGADHM Cc1ccc([N-]S(=O)(=O)c2cc(C)cc(C)c2)cc1 ZINC001259516643 807680002 /nfs/dbraw/zinc/68/00/02/807680002.db2.gz WZTVLUWUDHQKAU-UHFFFAOYSA-N -1 3 275.373 3.413 20 0 CGADHM O=S(=O)(Nc1cccc([O-])c1Cl)C1CCCCC1 ZINC001259814582 807689045 /nfs/dbraw/zinc/68/90/45/807689045.db2.gz HECHSJAVBQLXCI-UHFFFAOYSA-N -1 3 289.784 3.120 20 0 CGADHM CCOc1ccc(C)cc1[N-]S(=O)(=O)C1CCCCC1 ZINC001259813583 807689475 /nfs/dbraw/zinc/68/94/75/807689475.db2.gz CCWJZBBHJXUEBV-UHFFFAOYSA-N -1 3 297.420 3.468 20 0 CGADHM [O-]c1cccnc1CNc1ccc(-c2ccccc2)cn1 ZINC001169727153 807698647 /nfs/dbraw/zinc/69/86/47/807698647.db2.gz PUNLYOUJDPQLGG-UHFFFAOYSA-N -1 3 277.327 3.461 20 0 CGADHM Cc1cc(C(F)(F)F)cc(NCc2ncccc2[O-])n1 ZINC001169727004 807698825 /nfs/dbraw/zinc/69/88/25/807698825.db2.gz KVHUMRPIJSTZSA-UHFFFAOYSA-N -1 3 283.253 3.122 20 0 CGADHM Cc1ccc(-c2ccc(NCc3ncccc3[O-])nn2)s1 ZINC001169730587 807700059 /nfs/dbraw/zinc/70/00/59/807700059.db2.gz CJXSHOKHMDVKLB-UHFFFAOYSA-N -1 3 298.371 3.226 20 0 CGADHM CC1(C)C[C@H](C(=O)Nc2c([O-])cccc2Cl)CCO1 ZINC001262626411 807880289 /nfs/dbraw/zinc/88/02/89/807880289.db2.gz OOAPWYKTDMDUNQ-SECBINFHSA-N -1 3 283.755 3.189 20 0 CGADHM CCCC[C@@](CC)(Nc1ccc(=S)[n-]n1)C(=O)OCC ZINC001171228520 808013333 /nfs/dbraw/zinc/01/33/33/808013333.db2.gz SROXGKZVSGCMHE-CQSZACIVSA-N -1 3 297.424 3.079 20 0 CGADHM COc1ccc(Cl)c2c1C[C@H](NC1=CC=C[CH]1)CC2 ZINC001171298139 808021628 /nfs/dbraw/zinc/02/16/28/808021628.db2.gz GICHHIAWQLRVHN-GFCCVEGCSA-N -1 3 274.771 3.453 20 0 CGADHM CCN(CC)c1ccc(Nc2cnc(C)[n-]c2=O)cc1 ZINC001212969802 815192376 /nfs/dbraw/zinc/19/23/76/815192376.db2.gz AQLWZDHWEPXWOE-UHFFFAOYSA-N -1 3 272.352 3.080 20 0 CGADHM Cc1nc2cc(Nc3cc(=O)[n-]c(C)n3)ccc2s1 ZINC001213035613 815207829 /nfs/dbraw/zinc/20/78/29/815207829.db2.gz WTTGVXSPJPXAKN-UHFFFAOYSA-N -1 3 272.333 3.152 20 0 CGADHM CN(C)Cc1ccccc1Nc1ccc(C(=O)[O-])cc1 ZINC001173931403 808770789 /nfs/dbraw/zinc/77/07/89/808770789.db2.gz JGLVSUXUKKTJMM-UHFFFAOYSA-N -1 3 270.332 3.190 20 0 CGADHM O=c1cc(Nc2cccc3cnccc32)nc(C2CC2)[n-]1 ZINC001174135722 808884279 /nfs/dbraw/zinc/88/42/79/808884279.db2.gz LRSAXKWTNUEYER-UHFFFAOYSA-N -1 3 278.315 3.351 20 0 CGADHM Cc1nn(C)c(C)c1Nc1cccc([O-])c1Br ZINC001174229628 808914440 /nfs/dbraw/zinc/91/44/40/808914440.db2.gz GCSZESHGEWORKW-UHFFFAOYSA-N -1 3 296.168 3.249 20 0 CGADHM Cc1cc(Nc2cc(=O)[n-]c(C3CC3)n2)c(C)s1 ZINC001174420706 809012460 /nfs/dbraw/zinc/01/24/60/809012460.db2.gz IPPKQBDKDGZBRS-UHFFFAOYSA-N -1 3 261.350 3.482 20 0 CGADHM [O-]c1cc(F)cnc1Nc1ccc(OCC(F)F)cc1 ZINC001213302798 815263229 /nfs/dbraw/zinc/26/32/29/815263229.db2.gz FJVQRASHNQPWIX-UHFFFAOYSA-N -1 3 284.237 3.314 20 0 CGADHM O=c1cc(Nc2ccc(C(F)(F)F)cc2)[nH]c(=S)[n-]1 ZINC001174772284 809161470 /nfs/dbraw/zinc/16/14/70/809161470.db2.gz ZDIMCELGVNSYSU-UHFFFAOYSA-N -1 3 287.266 3.233 20 0 CGADHM [O-]c1cccc2sc(Nc3cccc(O)c3)nc21 ZINC001174886848 809189955 /nfs/dbraw/zinc/18/99/55/809189955.db2.gz BZLOPVHFRMJXIK-UHFFFAOYSA-N -1 3 258.302 3.451 20 0 CGADHM Cc1sc(Nc2cc(F)c([O-])c(F)c2)c(C(N)=O)c1C ZINC001213373465 815272203 /nfs/dbraw/zinc/27/22/03/815272203.db2.gz GEKPKHSFHPFDBX-UHFFFAOYSA-N -1 3 298.314 3.191 20 0 CGADHM CN(C)C(=O)c1ccccc1Nc1c(F)cc([O-])cc1F ZINC001175099977 809270817 /nfs/dbraw/zinc/27/08/17/809270817.db2.gz KUZSCHCEYNZFIC-UHFFFAOYSA-N -1 3 292.285 3.116 20 0 CGADHM Cn1cnc2cccc(Nc3c(F)cc([O-])cc3F)c21 ZINC001175100128 809271010 /nfs/dbraw/zinc/27/10/10/809271010.db2.gz WLHPUZKZQBKEDE-UHFFFAOYSA-N -1 3 275.258 3.301 20 0 CGADHM Nc1ccc2nn(-c3c(F)cc([O-])cc3F)c(Cl)c2c1 ZINC001175100522 809271861 /nfs/dbraw/zinc/27/18/61/809271861.db2.gz OVIBUCRVBOPGBN-UHFFFAOYSA-N -1 3 295.676 3.245 20 0 CGADHM Nc1ccc2cn(-c3cc(F)c([O-])c(F)c3)nc2c1Cl ZINC001213388691 815275842 /nfs/dbraw/zinc/27/58/42/815275842.db2.gz HNHYHVHTALILFU-UHFFFAOYSA-N -1 3 295.676 3.245 20 0 CGADHM [O-]c1ccc(Nc2cc(CO)ccc2F)cc1Cl ZINC001175131675 809283784 /nfs/dbraw/zinc/28/37/84/809283784.db2.gz MBHGUNQEHRCMDW-UHFFFAOYSA-N -1 3 267.687 3.421 20 0 CGADHM CC(C)c1ccc(C(=O)N[C@@H]2C[C@H]2C(F)(F)F)c([O-])c1 ZINC001175231054 809316905 /nfs/dbraw/zinc/31/69/05/809316905.db2.gz OWGZDMVUZZDRFG-GHMZBOCLSA-N -1 3 287.281 3.196 20 0 CGADHM COc1ncc(Nc2c(F)ccc([O-])c2F)cc1C ZINC001175262830 809328971 /nfs/dbraw/zinc/32/89/71/809328971.db2.gz NLEANVOGXKGDNB-UHFFFAOYSA-N -1 3 266.247 3.126 20 0 CGADHM Cc1ccc(C)c(Nc2c(F)ccc([O-])c2F)n1 ZINC001175263230 809330209 /nfs/dbraw/zinc/33/02/09/809330209.db2.gz HLRSOJWSEUVMOB-UHFFFAOYSA-N -1 3 250.248 3.426 20 0 CGADHM CC(C)c1nccnc1Nc1c(F)ccc([O-])c1F ZINC001175265414 809330604 /nfs/dbraw/zinc/33/06/04/809330604.db2.gz NQXQDAHQAXFBQH-UHFFFAOYSA-N -1 3 265.263 3.327 20 0 CGADHM O=C1NCc2cc(Nc3c(F)ccc([O-])c3F)ccc2N1 ZINC001175270490 809334313 /nfs/dbraw/zinc/33/43/13/809334313.db2.gz BWKCWMPHLJJNFV-UHFFFAOYSA-N -1 3 291.257 3.049 20 0 CGADHM CCOc1cc(F)ccc1Nc1ncc(F)cc1[O-] ZINC001175286247 809339028 /nfs/dbraw/zinc/33/90/28/809339028.db2.gz HMCCGLJVPHZASC-UHFFFAOYSA-N -1 3 266.247 3.208 20 0 CGADHM C[S@](=O)c1ccccc1Nc1c(F)cc([O-])cc1F ZINC001175318505 809353033 /nfs/dbraw/zinc/35/30/33/809353033.db2.gz NOYWWSOHBPOVBY-IBGZPJMESA-N -1 3 283.299 3.151 20 0 CGADHM O=C([O-])c1cccc(Nc2ccnc(C3CC3)c2)c1 ZINC001175330695 809358830 /nfs/dbraw/zinc/35/88/30/809358830.db2.gz PIRLIEDBOGJJCY-UHFFFAOYSA-N -1 3 254.289 3.401 20 0 CGADHM O=c1cc(Nc2ccc3ncccc3c2)nc(C2CC2)[n-]1 ZINC001175372254 809382937 /nfs/dbraw/zinc/38/29/37/809382937.db2.gz DDCCJVDHKYGHFC-UHFFFAOYSA-N -1 3 278.315 3.351 20 0 CGADHM c1nc2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2s1 ZINC001175429691 809401522 /nfs/dbraw/zinc/40/15/22/809401522.db2.gz MWSZVTFEIJCNSV-UHFFFAOYSA-N -1 3 294.343 3.220 20 0 CGADHM c1cc2c(cccc2Nc2ccc(-c3nn[n-]n3)cc2)o1 ZINC001175432057 809402935 /nfs/dbraw/zinc/40/29/35/809402935.db2.gz ROPHMOVONIWLNF-UHFFFAOYSA-N -1 3 277.287 3.357 20 0 CGADHM CC1(C)CCN1C(=O)c1cc2sccc2c([O-])c1 ZINC001293777721 809455147 /nfs/dbraw/zinc/45/51/47/809455147.db2.gz TZVILVGGXLYHKE-UHFFFAOYSA-N -1 3 261.346 3.231 20 0 CGADHM Cc1ccc(-c2noc(-c3cc(Cl)n[n-]3)n2)c(F)c1 ZINC001213498507 815290927 /nfs/dbraw/zinc/29/09/27/815290927.db2.gz MFOJUXSRENUMFJ-UHFFFAOYSA-N -1 3 278.674 3.228 20 0 CGADHM Fc1cc(F)cc(-c2noc(-c3cc(Cl)n[n-]3)n2)c1 ZINC001213501047 815291841 /nfs/dbraw/zinc/29/18/41/815291841.db2.gz YVGCTTNFZNJBMF-UHFFFAOYSA-N -1 3 282.637 3.058 20 0 CGADHM CC(C)(CC(=O)[N-]OC1CCCC1)c1ccc(F)cc1 ZINC001295620287 809490206 /nfs/dbraw/zinc/49/02/06/809490206.db2.gz ZTBKNCAKCBIUGL-UHFFFAOYSA-N -1 3 279.355 3.484 20 0 CGADHM CCCCC1(C(=O)[N-]OCc2ccc(F)cc2)CC1 ZINC001296234276 809501511 /nfs/dbraw/zinc/50/15/11/809501511.db2.gz UTALYWXHESXFPD-UHFFFAOYSA-N -1 3 265.328 3.344 20 0 CGADHM CCc1ccc(C(=O)NCC2=CCCCC2)c([O-])c1 ZINC001298662821 809535886 /nfs/dbraw/zinc/53/58/86/809535886.db2.gz JKBIEFUOYVXJTA-UHFFFAOYSA-N -1 3 259.349 3.185 20 0 CGADHM CCCn1nc(C)cc1Nc1cc(F)c(F)cc1[O-] ZINC001175804963 809549203 /nfs/dbraw/zinc/54/92/03/809549203.db2.gz NUCOQBXQAPRBFK-UHFFFAOYSA-N -1 3 267.279 3.329 20 0 CGADHM Cc1cc(Nc2ncc(Cl)cc2[O-])cc(C)c1N ZINC001175932365 809573113 /nfs/dbraw/zinc/57/31/13/809573113.db2.gz URDWBMLYJSGPBX-UHFFFAOYSA-N -1 3 263.728 3.383 20 0 CGADHM CCOc1ccc2ccccc2c1Nc1cnc[n-]c1=O ZINC001175982604 809591465 /nfs/dbraw/zinc/59/14/65/809591465.db2.gz MBVLMJJPXKWYJL-UHFFFAOYSA-N -1 3 281.315 3.478 20 0 CGADHM CC(C)c1ccc(C(=O)NC[C@@H]2CC(C)(C)CO2)c([O-])c1 ZINC001303344235 809609536 /nfs/dbraw/zinc/60/95/36/809609536.db2.gz JENMCSNIGWMDCG-ZDUSSCGKSA-N -1 3 291.391 3.061 20 0 CGADHM COCOc1ccc(Nc2ncc(Cl)cc2[O-])cc1F ZINC001176188245 809643434 /nfs/dbraw/zinc/64/34/34/809643434.db2.gz FSTDLWNHDIWMMY-UHFFFAOYSA-N -1 3 298.701 3.306 20 0 CGADHM Cc1ccc(/C=C/n2[n-]c(=O)c3ccc(N)cc32)cc1 ZINC001176424630 809693127 /nfs/dbraw/zinc/69/31/27/809693127.db2.gz MBTNFKJZRZDFIP-CMDGGOBGSA-N -1 3 265.316 3.260 20 0 CGADHM CC(C)Oc1ncccc1Nc1ncc(Cl)cc1[O-] ZINC001176733683 809754266 /nfs/dbraw/zinc/75/42/66/809754266.db2.gz OCVWLGFDPZBKMD-UHFFFAOYSA-N -1 3 279.727 3.366 20 0 CGADHM CC(C)C[C@H](C)CC(=O)[N-]Oc1ccccc1F ZINC001177109248 809781010 /nfs/dbraw/zinc/78/10/10/809781010.db2.gz BGKZJEQDUHETMH-NSHDSACASA-N -1 3 253.317 3.308 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2cnc3[nH]ccc3c2)c1 ZINC001177490531 809801607 /nfs/dbraw/zinc/80/16/07/809801607.db2.gz XWOPRUAVWRACKR-UHFFFAOYSA-N -1 3 281.315 3.035 20 0 CGADHM CC(C)(C)CCCC(=O)[N-]OCCOc1ccccc1 ZINC001180649039 810016207 /nfs/dbraw/zinc/01/62/07/810016207.db2.gz NZXLWCYGKWQYKF-UHFFFAOYSA-N -1 3 279.380 3.330 20 0 CGADHM O=C(Cc1cc2ccccc2o1)Nc1ccc(F)c([O-])c1 ZINC001181099803 810036749 /nfs/dbraw/zinc/03/67/49/810036749.db2.gz BDOZENJUBIPKBP-UHFFFAOYSA-N -1 3 285.274 3.459 20 0 CGADHM [O-]c1ccc(CN2CCOc3cccc(F)c3C2)cc1F ZINC001181196599 810042967 /nfs/dbraw/zinc/04/29/67/810042967.db2.gz SHFZTRMDCKXCJL-UHFFFAOYSA-N -1 3 291.297 3.065 20 0 CGADHM Cc1cccc([O-])c1C(=O)Nc1cc(C(F)(F)F)ccn1 ZINC001183166634 810139208 /nfs/dbraw/zinc/13/92/08/810139208.db2.gz UGGYIMAFWUGDIS-UHFFFAOYSA-N -1 3 296.248 3.367 20 0 CGADHM CC(C)(C)c1nc([N-]c2cccc3[nH]c(=O)ccc23)no1 ZINC001213967817 815352588 /nfs/dbraw/zinc/35/25/88/815352588.db2.gz OJJGHWDCCIXKMJ-UHFFFAOYSA-N -1 3 284.319 3.365 20 0 CGADHM CC(=O)c1cccc([O-])c1NC(=O)[C@H]1CCC(C)(C)C1 ZINC001185172988 810241093 /nfs/dbraw/zinc/24/10/93/810241093.db2.gz RDBFRZFESGPOKA-NSHDSACASA-N -1 3 275.348 3.360 20 0 CGADHM Cc1ccc(NC(=O)Nc2cccnc2)c(Cl)c1[O-] ZINC001185693376 810285158 /nfs/dbraw/zinc/28/51/58/810285158.db2.gz QRQUXTBZDSOUPA-UHFFFAOYSA-N -1 3 277.711 3.393 20 0 CGADHM [O-]c1ccc(Nc2cc(F)c(CO)c(F)c2)c(F)c1F ZINC001214031216 815358067 /nfs/dbraw/zinc/35/80/67/815358067.db2.gz ADZAOBRLUTUSQH-UHFFFAOYSA-N -1 3 287.212 3.185 20 0 CGADHM Cc1cccc([O-])c1C(=O)Nc1cnc(Cl)nc1Cl ZINC001188638021 810496814 /nfs/dbraw/zinc/49/68/14/810496814.db2.gz GVKZTAYPNQJNAX-UHFFFAOYSA-N -1 3 298.129 3.050 20 0 CGADHM COc1cc2[nH]ccc2c(NC(=O)c2c(C)cccc2[O-])c1 ZINC001188655640 810500463 /nfs/dbraw/zinc/50/04/63/810500463.db2.gz SHBXOXGYRAHUAD-UHFFFAOYSA-N -1 3 296.326 3.443 20 0 CGADHM O=S(=O)(CC1CC1)[N-]c1ccccc1-c1ccco1 ZINC001188976899 810530079 /nfs/dbraw/zinc/53/00/79/810530079.db2.gz MKMXQVPMMVUVIB-UHFFFAOYSA-N -1 3 277.345 3.098 20 0 CGADHM COC(=O)c1cnc(S[C@H]2C[C@H](C)C[C@H](C)C2)[n-]1 ZINC001189166467 810546389 /nfs/dbraw/zinc/54/63/89/810546389.db2.gz OZRNUUCXHQOAJR-MYJAWHEDSA-N -1 3 268.382 3.113 20 0 CGADHM Nc1ccc(F)cc1Nc1cc([O-])c(F)cc1F ZINC001214209059 815384299 /nfs/dbraw/zinc/38/42/99/815384299.db2.gz TWQQNKONDQXLHV-UHFFFAOYSA-N -1 3 254.211 3.135 20 0 CGADHM O=C(NCCCc1ccccc1)Nc1cc(F)ccc1[O-] ZINC001191200474 810688377 /nfs/dbraw/zinc/68/83/77/810688377.db2.gz YMSPJDPJBXHAKA-UHFFFAOYSA-N -1 3 288.322 3.286 20 0 CGADHM O=C(Nc1nc2c(cccc2[O-])s1)Nc1ccccn1 ZINC001191293420 810698117 /nfs/dbraw/zinc/69/81/17/810698117.db2.gz BXPURWDTISHTQQ-UHFFFAOYSA-N -1 3 286.316 3.041 20 0 CGADHM O=C(Nc1ccccc1O)c1ccc([O-])cc1C(F)(F)F ZINC001193745358 810947179 /nfs/dbraw/zinc/94/71/79/810947179.db2.gz HRVVTIAYWDDDLD-UHFFFAOYSA-N -1 3 297.232 3.369 20 0 CGADHM CC(C)(NC(=O)c1ccc([O-])cc1C(F)(F)F)C1CC1 ZINC001193748203 810948301 /nfs/dbraw/zinc/94/83/01/810948301.db2.gz RKWLUSXFELKKPH-UHFFFAOYSA-N -1 3 287.281 3.329 20 0 CGADHM [O-]c1ccc(Cl)c(Nc2ccnnc2Cl)c1F ZINC001214555987 815423014 /nfs/dbraw/zinc/42/30/14/815423014.db2.gz DWHMHXGOJSPGBA-UHFFFAOYSA-N -1 3 274.082 3.372 20 0 CGADHM CC[C@@H](C)OC(=O)N=c1[nH]c2c(cccc2[O-])s1 ZINC001195070448 811194460 /nfs/dbraw/zinc/19/44/60/811194460.db2.gz SMSQRUVGZUHKJI-SSDOTTSWSA-N -1 3 266.322 3.349 20 0 CGADHM CC(=O)c1cccc(NC(=O)Nc2ccccc2)c1[O-] ZINC001201956063 811983127 /nfs/dbraw/zinc/98/31/27/811983127.db2.gz ZLSIAFOULOOTJG-UHFFFAOYSA-N -1 3 270.288 3.239 20 0 CGADHM O=C(Nc1ccccc1F)Nc1cc(F)ccc1[O-] ZINC001202000747 811992682 /nfs/dbraw/zinc/99/26/82/811992682.db2.gz CABVQGACDGWMAV-UHFFFAOYSA-N -1 3 264.231 3.314 20 0 CGADHM CC(=O)c1cc(-c2noc(-c3cc(C)ccc3[O-])n2)ccn1 ZINC001215156579 815489126 /nfs/dbraw/zinc/48/91/26/815489126.db2.gz CWZKBQGZECOVBK-UHFFFAOYSA-N -1 3 295.298 3.015 20 0 CGADHM [O-]c1c(F)cc(Nc2ccc(F)c3n[nH]cc32)cc1F ZINC001215377302 815512141 /nfs/dbraw/zinc/51/21/41/815512141.db2.gz DWKGNZBBCANZQG-UHFFFAOYSA-N -1 3 279.221 3.429 20 0 CGADHM CNc1ccc(Nc2nc3c(cccc3[O-])s2)c(F)n1 ZINC001203350461 812319042 /nfs/dbraw/zinc/31/90/42/812319042.db2.gz PDAWFTKRLKDQLC-UHFFFAOYSA-N -1 3 290.323 3.321 20 0 CGADHM CCc1nc(OC)ccc1Nc1cc(F)c([O-])cc1F ZINC001203589571 812402772 /nfs/dbraw/zinc/40/27/72/812402772.db2.gz AIKGFMIUMNMTPW-UHFFFAOYSA-N -1 3 280.274 3.380 20 0 CGADHM [O-]c1cc(F)c(Nc2ncc(C(F)(F)F)cn2)cc1F ZINC001215570033 815536728 /nfs/dbraw/zinc/53/67/28/815536728.db2.gz LTTCJAIAMGDXEW-UHFFFAOYSA-N -1 3 291.179 3.223 20 0 CGADHM COC(=O)c1cscc1Nc1cc(F)c([O-])cc1F ZINC001215571124 815537650 /nfs/dbraw/zinc/53/76/50/815537650.db2.gz ZSISACPACKFVNK-UHFFFAOYSA-N -1 3 285.271 3.262 20 0 CGADHM [O-]c1cc(F)c(Nc2ccc(F)c(CO)c2F)c(F)c1 ZINC001215653310 815554169 /nfs/dbraw/zinc/55/41/69/815554169.db2.gz DETGFCZTGRWKHY-UHFFFAOYSA-N -1 3 287.212 3.185 20 0 CGADHM Cc1nc2ccccc2nc1-c1ccc([O-])cc1F ZINC001206021174 813167772 /nfs/dbraw/zinc/16/77/72/813167772.db2.gz HYHRCVBDBUKYSX-UHFFFAOYSA-N -1 3 254.264 3.450 20 0 CGADHM CSc1nc(C)cc(-c2ccc([O-])cc2F)n1 ZINC001206022231 813168492 /nfs/dbraw/zinc/16/84/92/813168492.db2.gz WUMICJRHNTZHGZ-UHFFFAOYSA-N -1 3 250.298 3.019 20 0 CGADHM CCOC(=O)c1cc(C)nc(-c2ccc([O-])cc2F)c1 ZINC001206030077 813172680 /nfs/dbraw/zinc/17/26/80/813172680.db2.gz OGHCTXPDHUWKME-UHFFFAOYSA-N -1 3 275.279 3.078 20 0 CGADHM [O-]c1ccc(-c2nncc3cc(F)ccc32)c(F)c1 ZINC001206030042 813173305 /nfs/dbraw/zinc/17/33/05/813173305.db2.gz MHQZDJJTPVAKMY-UHFFFAOYSA-N -1 3 258.227 3.281 20 0 CGADHM COc1cc(F)c(-c2ccc([O-])cc2F)c(OC)c1 ZINC001206057412 813184395 /nfs/dbraw/zinc/18/43/95/813184395.db2.gz AVRTUEBLEDFSOC-UHFFFAOYSA-N -1 3 266.243 3.355 20 0 CGADHM COC(=O)c1nc2c(cccc2-c2ccc([O-])cc2F)o1 ZINC001206073292 813190607 /nfs/dbraw/zinc/19/06/07/813190607.db2.gz RNSOGQLWYABEQD-UHFFFAOYSA-N -1 3 287.246 3.126 20 0 CGADHM c1coc(-c2nnc([N-]c3ccc4c(c3)OCC4)o2)c1 ZINC001206649328 813388578 /nfs/dbraw/zinc/38/85/78/813388578.db2.gz VTKFBWMHOCVVPF-UHFFFAOYSA-N -1 3 269.260 3.008 20 0 CGADHM [O-]c1cc(F)c(-c2ncccc2CN2CCCC2)cc1F ZINC001206775614 813434940 /nfs/dbraw/zinc/43/49/40/813434940.db2.gz CRXALCJMVDHQDJ-UHFFFAOYSA-N -1 3 290.313 3.328 20 0 CGADHM CCc1cncc([N-]c2nnc(Br)s2)c1 ZINC001209166184 813955132 /nfs/dbraw/zinc/95/51/32/813955132.db2.gz VQOVQTLVGGYHGX-UHFFFAOYSA-N -1 3 285.170 3.002 20 0 CGADHM CCc1cc(OC)ccc1-c1ccc(Cc2nnn[n-]2)cc1 ZINC001242700795 823104943 /nfs/dbraw/zinc/10/49/43/823104943.db2.gz QPASANUMAAVKKJ-UHFFFAOYSA-N -1 3 294.358 3.029 20 0 CGADHM CCc1cc(OC)ccc1-c1ccc(Cc2nn[n-]n2)cc1 ZINC001242700795 823104945 /nfs/dbraw/zinc/10/49/45/823104945.db2.gz QPASANUMAAVKKJ-UHFFFAOYSA-N -1 3 294.358 3.029 20 0 CGADHM [O-]c1c(Cl)nccc1Nc1ccc2nc[nH]c2c1 ZINC001209847761 814166796 /nfs/dbraw/zinc/16/67/96/814166796.db2.gz HMPORUNXOFUJTR-UHFFFAOYSA-N -1 3 260.684 3.061 20 0 CGADHM COc1ccc(C(C)=O)cc1Nc1cc(Cl)ncc1[O-] ZINC001210078622 814277664 /nfs/dbraw/zinc/27/76/64/814277664.db2.gz YZNGDQMENLHXSI-UHFFFAOYSA-N -1 3 292.722 3.395 20 0 CGADHM Cc1cccc(Nc2ncc(Cl)cc2[O-])c1O ZINC001210187507 814328065 /nfs/dbraw/zinc/32/80/65/814328065.db2.gz LCHXBQNDUVRIMI-UHFFFAOYSA-N -1 3 250.685 3.198 20 0 CGADHM Cn1nc(Nc2cccc(Cl)c2[O-])c2cccnc21 ZINC001210215515 814344868 /nfs/dbraw/zinc/34/48/68/814344868.db2.gz IFUOKYHLAGQKIU-UHFFFAOYSA-N -1 3 274.711 3.071 20 0 CGADHM COC(=O)c1occc1Nc1cccc(Cl)c1[O-] ZINC001210216117 814345549 /nfs/dbraw/zinc/34/55/49/814345549.db2.gz RAEKCFGVZIWEJM-UHFFFAOYSA-N -1 3 267.668 3.169 20 0 CGADHM COC(=O)c1ccc(O)cc1Nc1cccc(Cl)c1[O-] ZINC001210222312 814349336 /nfs/dbraw/zinc/34/93/36/814349336.db2.gz AJAIPUSHEQAPNS-UHFFFAOYSA-N -1 3 293.706 3.281 20 0 CGADHM Cc1cccc(C(N)=O)c1Nc1cccc(Cl)c1[O-] ZINC001210222925 814351651 /nfs/dbraw/zinc/35/16/51/814351651.db2.gz DDZIOHOBNTWPJJ-UHFFFAOYSA-N -1 3 276.723 3.197 20 0 CGADHM C[C@@H](O)c1cccc(Nc2cc([O-])c(F)cc2F)c1 ZINC001210509269 814498787 /nfs/dbraw/zinc/49/87/87/814498787.db2.gz RRLURCTUHJFBBE-MRVPVSSYSA-N -1 3 265.259 3.467 20 0 CGADHM CC(C)(C)c1nnc([N-]c2ccccc2-n2cccn2)o1 ZINC001210731534 814601055 /nfs/dbraw/zinc/60/10/55/814601055.db2.gz ZZZHZHDFPJZKQW-UHFFFAOYSA-N -1 3 283.335 3.296 20 0 CGADHM [O-]c1cccc(Nc2cc(Cl)ncc2CO)c1Cl ZINC001210853681 814650653 /nfs/dbraw/zinc/65/06/53/814650653.db2.gz DJGAQAVFWXXZMK-UHFFFAOYSA-N -1 3 285.130 3.330 20 0 CGADHM Cn1ncc(Cl)c1Nc1cccc([O-])c1Cl ZINC001210854054 814652108 /nfs/dbraw/zinc/65/21/08/814652108.db2.gz XEWUSHKXQAICRJ-UHFFFAOYSA-N -1 3 258.108 3.176 20 0 CGADHM [O-]c1cccc(Nc2cccc(CO)c2F)c1Cl ZINC001210855304 814652236 /nfs/dbraw/zinc/65/22/36/814652236.db2.gz VYJPLMPQKLEBMI-UHFFFAOYSA-N -1 3 267.687 3.421 20 0 CGADHM Nc1nc(Cl)cc2ncn(-c3cccc([O-])c3Cl)c21 ZINC001210855830 814653531 /nfs/dbraw/zinc/65/35/31/814653531.db2.gz ZNGTUAYHDKNYPB-UHFFFAOYSA-N -1 3 295.129 3.015 20 0 CGADHM Fc1ccc(-c2cc([N-]c3ccncn3)on2)cc1 ZINC001211024524 814709990 /nfs/dbraw/zinc/70/99/90/814709990.db2.gz VAQRFQZYQKRLPU-UHFFFAOYSA-N -1 3 256.240 3.014 20 0 CGADHM Cc1cc(OC(C)C)ncc1[N-]c1nnc(C(C)C)o1 ZINC001215769437 815584209 /nfs/dbraw/zinc/58/42/09/815584209.db2.gz BYICJXFQCFHICR-UHFFFAOYSA-N -1 3 276.340 3.427 20 0 CGADHM Cc1nc(Nc2cccc(-c3cccnc3)c2)cc(=O)[n-]1 ZINC001211143668 814837627 /nfs/dbraw/zinc/83/76/27/814837627.db2.gz UDYGWJHZFCCROR-UHFFFAOYSA-N -1 3 278.315 3.296 20 0 CGADHM Cc1cnc(F)c(Nc2ncc(Cl)cc2[O-])c1 ZINC001211496346 814896703 /nfs/dbraw/zinc/89/67/03/814896703.db2.gz YYHKSVBUHFPIKR-UHFFFAOYSA-N -1 3 253.664 3.027 20 0 CGADHM Cc1ccc(-c2noc(-c3c([O-])cc(C)cc3O)n2)cc1 ZINC001216267520 815761868 /nfs/dbraw/zinc/76/18/68/815761868.db2.gz LSNDQQJDPGBUNA-UHFFFAOYSA-N -1 3 282.299 3.432 20 0 CGADHM [O-]c1ccc(O)cc1-c1nc(-c2cc(F)ccc2F)no1 ZINC001216735196 815895059 /nfs/dbraw/zinc/89/50/59/815895059.db2.gz BDIYFZZQRPUHLR-UHFFFAOYSA-N -1 3 290.225 3.093 20 0 CGADHM [S-]c1ccc(O[C@@H]2CNCc3ccccc32)cc1 ZINC001218484015 816238129 /nfs/dbraw/zinc/23/81/29/816238129.db2.gz DNPXNDBCWXPHIU-OAHLLOKOSA-N -1 3 257.358 3.199 20 0 CGADHM O=C(Nc1ccc(F)c([O-])c1)[C@@H]1CCNc2ccccc21 ZINC001218877701 816256130 /nfs/dbraw/zinc/25/61/30/816256130.db2.gz PSPFNCRJEWDDCX-GFCCVEGCSA-N -1 3 286.306 3.069 20 0 CGADHM COCc1cc(-c2ccc(F)c([O-])c2)nc(C(C)(C)C)n1 ZINC001243050816 823227990 /nfs/dbraw/zinc/22/79/90/823227990.db2.gz SZOKFIQSZFDVFS-UHFFFAOYSA-N -1 3 290.338 3.432 20 0 CGADHM C[C@@H]1CCc2nnc(-c3ccc(F)c([O-])c3)cc2C1 ZINC001243048969 823225736 /nfs/dbraw/zinc/22/57/36/823225736.db2.gz JKGZOSKOJGQXOA-SECBINFHSA-N -1 3 258.296 3.113 20 0 CGADHM COC(=O)c1ccc(-c2ccc(F)c([O-])c2)c(C)c1 ZINC001243049524 823226782 /nfs/dbraw/zinc/22/67/82/823226782.db2.gz PKDBLNTWOINWDL-UHFFFAOYSA-N -1 3 260.264 3.293 20 0 CGADHM [O-]c1cc(-c2ccccc2C2OCCO2)ccc1F ZINC001243050561 823227309 /nfs/dbraw/zinc/22/73/09/823227309.db2.gz YSFSZHQSLXRBKK-UHFFFAOYSA-N -1 3 260.264 3.244 20 0 CGADHM CC1(C)CNc2cc(-c3ccc(F)c([O-])c3)cnc21 ZINC001243051425 823228376 /nfs/dbraw/zinc/22/83/76/823228376.db2.gz PREBOEMZCKKPDI-UHFFFAOYSA-N -1 3 258.296 3.296 20 0 CGADHM COc1c(F)ccc(F)c1-c1ccc(F)c([O-])c1 ZINC001243062981 823232782 /nfs/dbraw/zinc/23/27/82/823232782.db2.gz RFXICSPSLXPDKB-UHFFFAOYSA-N -1 3 254.207 3.485 20 0 CGADHM C[C@@H](Oc1ccc2c([O-])coc2c1)c1cccs1 ZINC001225339546 817016216 /nfs/dbraw/zinc/01/62/16/817016216.db2.gz MEHKSJOGRIZXAY-SECBINFHSA-N -1 3 260.314 3.463 20 0 CGADHM CC[C@@H](C)[C@@H](C)Oc1nc(=O)[n-]cc1C(F)(F)F ZINC001225580354 817099629 /nfs/dbraw/zinc/09/96/29/817099629.db2.gz ZCSPNLNEPPDVLQ-RNFRBKRXSA-N -1 3 264.247 3.014 20 0 CGADHM Cc1cnc(=S)[n-]c1O[C@H](C)c1cccc(N(C)C)c1 ZINC001225741569 817164225 /nfs/dbraw/zinc/16/42/25/817164225.db2.gz XPSKWMYPWHVCOI-LLVKDONJSA-N -1 3 289.404 3.280 20 0 CGADHM FC(F)(F)c1cc(O[C@@H]2C[C@@H]3CC[C@H]2C3)nc(=S)[n-]1 ZINC001225851236 817196843 /nfs/dbraw/zinc/19/68/43/817196843.db2.gz UBDYGDWWADWSNQ-GJMOJQLCSA-N -1 3 290.310 3.352 20 0 CGADHM Fc1cc(-c2cc3ccccc3[nH]2)cc(-c2nnn[n-]2)c1 ZINC001243106576 823249563 /nfs/dbraw/zinc/24/95/63/823249563.db2.gz XPSMCMZGPRUXON-UHFFFAOYSA-N -1 3 279.278 3.154 20 0 CGADHM Fc1cc(-c2cc3ccccc3[nH]2)cc(-c2nn[n-]n2)c1 ZINC001243106576 823249571 /nfs/dbraw/zinc/24/95/71/823249571.db2.gz XPSMCMZGPRUXON-UHFFFAOYSA-N -1 3 279.278 3.154 20 0 CGADHM CCCCOC[C@H](C)Oc1cc(C(C)=O)ccc1[O-] ZINC001225996589 817243187 /nfs/dbraw/zinc/24/31/87/817243187.db2.gz YAQMWNMOBWSEMW-NSHDSACASA-N -1 3 266.337 3.179 20 0 CGADHM C/C=C/[C@@H](Oc1[n-]c(=O)ncc1C(C)=O)C1CCCCC1 ZINC001226238227 817306848 /nfs/dbraw/zinc/30/68/48/817306848.db2.gz QJTKJXPKODLQGN-UFZAZABTSA-N -1 3 290.363 3.289 20 0 CGADHM CCc1nc(O[C@@H](c2ccccc2)C(F)(F)F)cc(=O)[n-]1 ZINC001226472833 817368481 /nfs/dbraw/zinc/36/84/81/817368481.db2.gz NYSAOMGJYVLXJG-ZDUSSCGKSA-N -1 3 298.264 3.427 20 0 CGADHM CC(=O)c1ccc([O-])c(O[C@@H](C)C2CCCC2)c1O ZINC001226483275 817371418 /nfs/dbraw/zinc/37/14/18/817371418.db2.gz UCFGGJDJZFIACE-JTQLQIEISA-N -1 3 264.321 3.258 20 0 CGADHM Cc1nc(O[C@H](c2ccccc2)C2CC2)cc(=O)[n-]1 ZINC001226509821 817378442 /nfs/dbraw/zinc/37/84/42/817378442.db2.gz VIFJGSJPUSPORU-OAHLLOKOSA-N -1 3 256.305 3.021 20 0 CGADHM C[C@@H](Oc1c([O-])ccc2ccc(=O)oc21)c1nccs1 ZINC001226599994 817409511 /nfs/dbraw/zinc/40/95/11/817409511.db2.gz RRIOFJYZTPAYOK-MRVPVSSYSA-N -1 3 289.312 3.095 20 0 CGADHM CCCCOC[C@@H](C)Oc1c([O-])ccc2ccc(=O)oc21 ZINC001226596890 817409788 /nfs/dbraw/zinc/40/97/88/817409788.db2.gz OOCXGLKOZRELQU-LLVKDONJSA-N -1 3 292.331 3.083 20 0 CGADHM [O-]c1cccc(O[C@H]2CCCC3(C2)OCCO3)c1Cl ZINC001226710143 817442358 /nfs/dbraw/zinc/44/23/58/817442358.db2.gz WHESCJWHIPJLCL-JTQLQIEISA-N -1 3 284.739 3.110 20 0 CGADHM Cc1cc(O[C@@H]2CCc3c2nccc3Cl)[n-]c(=S)n1 ZINC001226799696 817468032 /nfs/dbraw/zinc/46/80/32/817468032.db2.gz YNQIHRYYWLRKID-SNVBAGLBSA-N -1 3 293.779 3.188 20 0 CGADHM CCc1cnc(=S)[n-]c1O[C@H](C(C)=O)c1ccccc1 ZINC001227061655 817547077 /nfs/dbraw/zinc/54/70/77/817547077.db2.gz LNHGKQBQENERFJ-CYBMUJFWSA-N -1 3 288.372 3.037 20 0 CGADHM CCC[C@H](Oc1ccc(=O)[n-]n1)c1ccc(OC)cc1 ZINC001227093251 817555184 /nfs/dbraw/zinc/55/51/84/817555184.db2.gz JNAHQHIPDMKGTE-ZDUSSCGKSA-N -1 3 274.320 3.111 20 0 CGADHM Cc1cc(C(=O)[O-])cc(-c2cc(N3CCCC3)ccn2)c1 ZINC001243176906 823274172 /nfs/dbraw/zinc/27/41/72/823274172.db2.gz FDZQVUGTQNZYHG-UHFFFAOYSA-N -1 3 282.343 3.355 20 0 CGADHM CCCc1cc(O[C@H](C)c2ncccc2F)[n-]c(=S)n1 ZINC001227422551 817646306 /nfs/dbraw/zinc/64/63/06/817646306.db2.gz QDTOGQVXQWWSRT-SECBINFHSA-N -1 3 293.367 3.392 20 0 CGADHM O=c1cc(O[C@@H]2CCC(F)(F)C2)[n-]c(C(F)(F)F)c1 ZINC001227582857 817676642 /nfs/dbraw/zinc/67/66/42/817676642.db2.gz GUNPJFBDYPTELT-SSDOTTSWSA-N -1 3 283.196 3.373 20 0 CGADHM CC[C@@H](C)C[C@H](CC)Oc1nc(C(=O)OC)ccc1[O-] ZINC001227820157 817726512 /nfs/dbraw/zinc/72/65/12/817726512.db2.gz OVTRHKKYZVPXTD-MNOVXSKESA-N -1 3 281.352 3.167 20 0 CGADHM COC(=O)c1ccc([O-])c(O[C@@H](C)c2cccc(C)c2)n1 ZINC001227820069 817726880 /nfs/dbraw/zinc/72/68/80/817726880.db2.gz NCKJUBWCPGBVFV-NSHDSACASA-N -1 3 287.315 3.022 20 0 CGADHM CCCCOC[C@@H](C)Oc1ncc(Cl)cc1[O-] ZINC001227980761 817771601 /nfs/dbraw/zinc/77/16/01/817771601.db2.gz QYGMWBNEOOWDQP-SECBINFHSA-N -1 3 259.733 3.025 20 0 CGADHM C[C@H](Oc1[n-]c(=O)nc2cccnc21)c1ccc(F)cc1 ZINC001228004598 817780370 /nfs/dbraw/zinc/78/03/70/817780370.db2.gz NCNGILUIHDMJPF-VIFPVBQESA-N -1 3 285.278 3.010 20 0 CGADHM CCCc1c([O-])ccc(C(C)=O)c1OC[C@H](C)OCC ZINC001228133382 817820346 /nfs/dbraw/zinc/82/03/46/817820346.db2.gz DQENXPQLRJSICH-NSHDSACASA-N -1 3 280.364 3.351 20 0 CGADHM CCCc1c([O-])ccc(C(C)=O)c1OCC[C@@H](C)OC ZINC001228134118 817820596 /nfs/dbraw/zinc/82/05/96/817820596.db2.gz NBHNXLSSFPEDJA-LLVKDONJSA-N -1 3 280.364 3.351 20 0 CGADHM CC1(C)CCC(Oc2nnc(-c3cccnc3)[n-]2)CC1 ZINC001228695080 817974570 /nfs/dbraw/zinc/97/45/70/817974570.db2.gz JFZJTXGSJNOMTG-UHFFFAOYSA-N -1 3 272.352 3.214 20 0 CGADHM CC1(C)CCC(Oc2nc(-c3cccnc3)n[n-]2)CC1 ZINC001228695080 817974575 /nfs/dbraw/zinc/97/45/75/817974575.db2.gz JFZJTXGSJNOMTG-UHFFFAOYSA-N -1 3 272.352 3.214 20 0 CGADHM CC1(C)CCC(Oc2n[n-]c(-c3cccnc3)n2)CC1 ZINC001228695080 817974582 /nfs/dbraw/zinc/97/45/82/817974582.db2.gz JFZJTXGSJNOMTG-UHFFFAOYSA-N -1 3 272.352 3.214 20 0 CGADHM CC[C@@H](C)C[C@@H](CC)Oc1n[n-]c(-c2ccncc2)n1 ZINC001228697722 817977008 /nfs/dbraw/zinc/97/70/08/817977008.db2.gz ONZWAWVABVDJPS-DGCLKSJQSA-N -1 3 274.368 3.460 20 0 CGADHM CC(C)[C@H]1CC[C@H](Oc2nnc(-c3cccnc3)[n-]2)CC1 ZINC001228696615 817977094 /nfs/dbraw/zinc/97/70/94/817977094.db2.gz APQQFEQEJTWKGS-MQMHXKEQSA-N -1 3 286.379 3.460 20 0 CGADHM CC(C)[C@H]1CC[C@H](Oc2nc(-c3cccnc3)n[n-]2)CC1 ZINC001228696615 817977096 /nfs/dbraw/zinc/97/70/96/817977096.db2.gz APQQFEQEJTWKGS-MQMHXKEQSA-N -1 3 286.379 3.460 20 0 CGADHM CC(C)[C@H]1CC[C@H](Oc2n[n-]c(-c3cccnc3)n2)CC1 ZINC001228696615 817977099 /nfs/dbraw/zinc/97/70/99/817977099.db2.gz APQQFEQEJTWKGS-MQMHXKEQSA-N -1 3 286.379 3.460 20 0 CGADHM CCC[C@H](C)[C@H](CC)Oc1nnc(-c2cccnc2)[n-]1 ZINC001228699229 817978809 /nfs/dbraw/zinc/97/88/09/817978809.db2.gz XOPNLJPMJCOLEB-AAEUAGOBSA-N -1 3 274.368 3.460 20 0 CGADHM CCC[C@H](C)[C@H](CC)Oc1nc(-c2cccnc2)n[n-]1 ZINC001228699229 817978814 /nfs/dbraw/zinc/97/88/14/817978814.db2.gz XOPNLJPMJCOLEB-AAEUAGOBSA-N -1 3 274.368 3.460 20 0 CGADHM CCC[C@H](C)[C@H](CC)Oc1n[n-]c(-c2cccnc2)n1 ZINC001228699229 817978820 /nfs/dbraw/zinc/97/88/20/817978820.db2.gz XOPNLJPMJCOLEB-AAEUAGOBSA-N -1 3 274.368 3.460 20 0 CGADHM O=C1CCc2cc([O-])c(OC(C3CC3)C3CC3)cc21 ZINC001228854606 818022910 /nfs/dbraw/zinc/02/29/10/818022910.db2.gz UPOQJRLPLALDGV-UHFFFAOYSA-N -1 3 258.317 3.089 20 0 CGADHM Cc1ccc([C@H](C)Oc2cc3c(cc2[O-])CCC3=O)cn1 ZINC001228853826 818024285 /nfs/dbraw/zinc/02/42/85/818024285.db2.gz MDPASTVVMCSGMB-NSHDSACASA-N -1 3 283.327 3.365 20 0 CGADHM O=C1C[C@H]2CC[C@@H](C1)N2Cc1ccc([O-])c(C(F)(F)F)c1 ZINC001231522725 818120868 /nfs/dbraw/zinc/12/08/68/818120868.db2.gz IUKRBUNOCVQSBV-PHIMTYICSA-N -1 3 299.292 3.107 20 0 CGADHM [O-]c1cc(CN2CCC(n3ccnc3)CC2)ccc1Cl ZINC001231736099 818163086 /nfs/dbraw/zinc/16/30/86/818163086.db2.gz DMYOYFGGJJGKMP-UHFFFAOYSA-N -1 3 291.782 3.079 20 0 CGADHM CCCOc1cccc(F)c1-c1ccc(-c2nnn[n-]2)cc1 ZINC001243265832 823318218 /nfs/dbraw/zinc/31/82/18/823318218.db2.gz SOTKAVVMNDSFDS-UHFFFAOYSA-N -1 3 298.321 3.462 20 0 CGADHM CCCOc1cccc(F)c1-c1ccc(-c2nn[n-]n2)cc1 ZINC001243265832 823318223 /nfs/dbraw/zinc/31/82/23/823318223.db2.gz SOTKAVVMNDSFDS-UHFFFAOYSA-N -1 3 298.321 3.462 20 0 CGADHM [O-]c1c(F)ccc(CN2CCCCC23CC3)c1F ZINC001232936331 818476762 /nfs/dbraw/zinc/47/67/62/818476762.db2.gz AOYQEHDLPSEBDH-UHFFFAOYSA-N -1 3 253.292 3.189 20 0 CGADHM [O-]c1cc(CN2CCCCCCC2)cc(F)c1F ZINC001232973406 818487482 /nfs/dbraw/zinc/48/74/82/818487482.db2.gz WRBVGRKDSWANON-UHFFFAOYSA-N -1 3 255.308 3.437 20 0 CGADHM COC(C)(C)[C@H]1CCCN1Cc1cc([O-])c(F)c(F)c1 ZINC001232973246 818487812 /nfs/dbraw/zinc/48/78/12/818487812.db2.gz QMWKMOWBLDQMFT-CYBMUJFWSA-N -1 3 285.334 3.060 20 0 CGADHM C[C@@H]1CN(Cc2cccc([O-])c2F)CCC1(F)F ZINC001233050190 818511330 /nfs/dbraw/zinc/51/13/30/818511330.db2.gz LUWAHERNMOSNMW-SECBINFHSA-N -1 3 259.271 3.008 20 0 CGADHM [O-]c1ccc(F)c(CN2CCC[C@H](F)C(F)(F)C2)c1F ZINC001233393096 818608718 /nfs/dbraw/zinc/60/87/18/818608718.db2.gz AOWNZDSOJRPSJB-NSHDSACASA-N -1 3 295.251 3.240 20 0 CGADHM COc1ccc(CN(C)Cc2nccs2)c(Cl)c1[O-] ZINC001233400967 818612034 /nfs/dbraw/zinc/61/20/34/818612034.db2.gz GUQRVISGMIEWKF-UHFFFAOYSA-N -1 3 298.795 3.143 20 0 CGADHM CCOC(=O)CC1CC(Oc2cc(Cl)c([O-])cc2C)C1 ZINC001233593145 818652025 /nfs/dbraw/zinc/65/20/25/818652025.db2.gz UQWURNWOEXSMKF-UHFFFAOYSA-N -1 3 298.766 3.465 20 0 CGADHM COC(=O)[C@H]1CCC[C@H](Oc2cc(Cl)c([O-])cc2C)C1 ZINC001233592742 818652682 /nfs/dbraw/zinc/65/26/82/818652682.db2.gz OMLALIFLVOWCDD-QWRGUYRKSA-N -1 3 298.766 3.465 20 0 CGADHM Cc1cc([O-])c(Cl)cc1O[C@H]1COc2cnccc21 ZINC001233596467 818654153 /nfs/dbraw/zinc/65/41/53/818654153.db2.gz ZHSLOTOKXLEYAG-AWEZNQCLSA-N -1 3 277.707 3.262 20 0 CGADHM C[C@H](Cc1ccccc1)Oc1ccc2occ([O-])c2c1 ZINC001233677827 818677437 /nfs/dbraw/zinc/67/74/37/818677437.db2.gz OJURJKZYLGVNOQ-GFCCVEGCSA-N -1 3 268.312 3.272 20 0 CGADHM C[C@H](Oc1ccc2occ([O-])c2c1)c1ccccc1 ZINC001233677888 818677563 /nfs/dbraw/zinc/67/75/63/818677563.db2.gz UHSSGJDTFQWQIM-NSHDSACASA-N -1 3 254.285 3.402 20 0 CGADHM C[C@@H]1CC[C@@H](C)[C@H](Oc2ccc3occ([O-])c3c2)C1 ZINC001233676980 818677577 /nfs/dbraw/zinc/67/75/77/818677577.db2.gz BXOLUQDJTBVOFH-GLKRBJQHSA-N -1 3 260.333 3.465 20 0 CGADHM COc1ccc(OC[C@H](C)Oc2cccc([O-])c2F)cc1 ZINC001233870555 818721097 /nfs/dbraw/zinc/72/10/97/818721097.db2.gz FVDMOAHMIFYHQC-NSHDSACASA-N -1 3 292.306 3.386 20 0 CGADHM [O-]c1cccc(O[C@H]2CCc3ccccc3C2)c1F ZINC001233870938 818721696 /nfs/dbraw/zinc/72/16/96/818721696.db2.gz JYNGOMDUKSPJBQ-ZDUSSCGKSA-N -1 3 258.292 3.468 20 0 CGADHM COC(=O)C[C@H]1CCC[C@@H](Oc2cccc([O-])c2F)C1 ZINC001233873403 818722547 /nfs/dbraw/zinc/72/25/47/818722547.db2.gz XYPQPAVGKVXZDO-WDEREUQCSA-N -1 3 282.311 3.032 20 0 CGADHM NC(=O)c1c([O-])cccc1O[C@@H](c1ccccc1)C1CC1 ZINC001234147820 818792706 /nfs/dbraw/zinc/79/27/06/818792706.db2.gz XTMKZPPFHUCDJP-INIZCTEOSA-N -1 3 283.327 3.021 20 0 CGADHM COC[C@H](C)OC[C@@H](C)Oc1c([O-])cc(Cl)cc1F ZINC001234443499 818856238 /nfs/dbraw/zinc/85/62/38/818856238.db2.gz HOMLPCUGEZUITF-DTWKUNHWSA-N -1 3 292.734 3.004 20 0 CGADHM C[C@H]1C[C@H](Oc2c([O-])cc(Cl)cc2F)CCO1 ZINC001234443041 818856325 /nfs/dbraw/zinc/85/63/25/818856325.db2.gz AMCYIWGYWNGFKZ-IONNQARKSA-N -1 3 260.692 3.131 20 0 CGADHM CCCCOC(=O)[C@@H](C)Oc1c([O-])cc(Cl)cc1F ZINC001234446381 818857787 /nfs/dbraw/zinc/85/77/87/818857787.db2.gz DJRVKYRMVOISGF-MRVPVSSYSA-N -1 3 290.718 3.295 20 0 CGADHM C[C@H](Oc1nc2c(cccc2[O-])[nH]1)c1cccnc1Cl ZINC001234446760 818858402 /nfs/dbraw/zinc/85/84/02/818858402.db2.gz HOSXUOWVAQRLAW-QMMMGPOBSA-N -1 3 289.722 3.457 20 0 CGADHM C[C@@H](Oc1nc[n-]c(=O)c1-c1ccccc1)C1CCC1 ZINC001234689102 818915134 /nfs/dbraw/zinc/91/51/34/818915134.db2.gz MSKOAMDBFMZAGO-LLVKDONJSA-N -1 3 270.332 3.417 20 0 CGADHM C[C@@H](Oc1nc2ccsc2[n-]1)c1ccncc1F ZINC001234846373 818932170 /nfs/dbraw/zinc/93/21/70/818932170.db2.gz BJVGNCHRQJHKES-SSDOTTSWSA-N -1 3 263.297 3.299 20 0 CGADHM C[C@@H](Oc1nc2sccc2[n-]1)c1ccncc1F ZINC001234846373 818932172 /nfs/dbraw/zinc/93/21/72/818932172.db2.gz BJVGNCHRQJHKES-SSDOTTSWSA-N -1 3 263.297 3.299 20 0 CGADHM CC(C)Oc1ccc(COc2nc3ccsc3[n-]2)cn1 ZINC001234848649 818933735 /nfs/dbraw/zinc/93/37/35/818933735.db2.gz SCVNVEWIUYGCSL-UHFFFAOYSA-N -1 3 289.360 3.386 20 0 CGADHM CC(C)Oc1ccc(COc2nc3sccc3[n-]2)cn1 ZINC001234848649 818933741 /nfs/dbraw/zinc/93/37/41/818933741.db2.gz SCVNVEWIUYGCSL-UHFFFAOYSA-N -1 3 289.360 3.386 20 0 CGADHM COC(=O)c1ccc(F)c(-c2cc([O-])cc(Cl)c2)n1 ZINC001235898971 819208757 /nfs/dbraw/zinc/20/87/57/819208757.db2.gz OORMQNFXDUDLQU-UHFFFAOYSA-N -1 3 281.670 3.033 20 0 CGADHM C[C@@H]1Cc2ccccc2CN1Cc1sc(=O)[n-]c1Cl ZINC001237168775 819688276 /nfs/dbraw/zinc/68/82/76/819688276.db2.gz JJBJYLKCDBPROM-SECBINFHSA-N -1 3 294.807 3.449 20 0 CGADHM [O-]c1cccc(-c2cc(OC(F)F)ccn2)c1F ZINC001243541434 823435748 /nfs/dbraw/zinc/43/57/48/823435748.db2.gz BFNCQHUIHKYWSG-UHFFFAOYSA-N -1 3 255.195 3.195 20 0 CGADHM Cc1ccc2ncc(-c3cccc([O-])c3F)nc2c1 ZINC001243541563 823435954 /nfs/dbraw/zinc/43/59/54/823435954.db2.gz CXFPWAIEWXOORO-UHFFFAOYSA-N -1 3 254.264 3.450 20 0 CGADHM CC(C)(C)c1nc2[nH]cnc2c(-c2cccc([O-])c2F)n1 ZINC001243541000 823436002 /nfs/dbraw/zinc/43/60/02/823436002.db2.gz BUCUGTANSJYCPT-UHFFFAOYSA-N -1 3 286.310 3.114 20 0 CGADHM COC(=O)c1c(F)ccc(F)c1-c1cccc([O-])c1F ZINC001243549200 823440905 /nfs/dbraw/zinc/44/09/05/823440905.db2.gz PUQQGXAMCOAJGO-UHFFFAOYSA-N -1 3 282.217 3.263 20 0 CGADHM [O-]c1cccc(-c2ccc(C(F)(F)F)n3ncnc23)c1F ZINC001243548776 823440495 /nfs/dbraw/zinc/44/04/95/823440495.db2.gz ITGZQNHTRSDEEX-UHFFFAOYSA-N -1 3 297.211 3.260 20 0 CGADHM Cc1cc(-c2cccc([O-])c2F)nc(-c2cccnc2)n1 ZINC001243544163 823437438 /nfs/dbraw/zinc/43/74/38/823437438.db2.gz MGNXNYOTHYXAQM-UHFFFAOYSA-N -1 3 281.290 3.359 20 0 CGADHM COC(=O)c1c(F)c(C)ccc1-c1cccc([O-])c1F ZINC001243545792 823438168 /nfs/dbraw/zinc/43/81/68/823438168.db2.gz GKBUKJSRUBQVKJ-UHFFFAOYSA-N -1 3 278.254 3.432 20 0 CGADHM CC1(c2cccc(-c3cccc([O-])c3F)c2)OCCO1 ZINC001243546709 823438864 /nfs/dbraw/zinc/43/88/64/823438864.db2.gz DIMPKMGHYYWVSR-UHFFFAOYSA-N -1 3 274.291 3.418 20 0 CGADHM O=C1Nc2c(cccc2-c2cccc([O-])c2F)C12CC2 ZINC001243547205 823439640 /nfs/dbraw/zinc/43/96/40/823439640.db2.gz MXCCITBFUWNFCS-UHFFFAOYSA-N -1 3 269.275 3.182 20 0 CGADHM [O-]c1cccc(-c2nc(CC3CC3)nc3[nH]ccc32)c1F ZINC001243547627 823439864 /nfs/dbraw/zinc/43/98/64/823439864.db2.gz YZTLPCJNZDJUKN-UHFFFAOYSA-N -1 3 283.306 3.374 20 0 CGADHM COc1cc(OC)c(-c2cccc([O-])c2F)cc1OC ZINC001243547191 823439986 /nfs/dbraw/zinc/43/99/86/823439986.db2.gz MAPDEFHGLMICQJ-UHFFFAOYSA-N -1 3 278.279 3.224 20 0 CGADHM COC(=O)c1nc2cccc(-c3cccc([O-])c3F)c2o1 ZINC001243549192 823441002 /nfs/dbraw/zinc/44/10/02/823441002.db2.gz PLAGFPJQWBQPKG-UHFFFAOYSA-N -1 3 287.246 3.126 20 0 CGADHM Fc1cc(-c2coc3ccccc23)cc(-c2nnn[n-]2)c1 ZINC001239064562 820211036 /nfs/dbraw/zinc/21/10/36/820211036.db2.gz NIFUJQLEQSHQAE-UHFFFAOYSA-N -1 3 280.262 3.419 20 0 CGADHM Fc1cc(-c2nn[n-]n2)cc(-c2coc3ccccc23)c1 ZINC001239064562 820211043 /nfs/dbraw/zinc/21/10/43/820211043.db2.gz NIFUJQLEQSHQAE-UHFFFAOYSA-N -1 3 280.262 3.419 20 0 CGADHM CC(C)n1ccc(-c2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC001239070098 820215031 /nfs/dbraw/zinc/21/50/31/820215031.db2.gz PAQHQIATQZGCBI-UHFFFAOYSA-N -1 3 271.299 3.055 20 0 CGADHM CC(C)n1ccc(-c2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC001239070098 820215038 /nfs/dbraw/zinc/21/50/38/820215038.db2.gz PAQHQIATQZGCBI-UHFFFAOYSA-N -1 3 271.299 3.055 20 0 CGADHM Cc1cc(C)c(-c2ccccc2-c2nnn[n-]2)c(C)c1 ZINC001239548508 820401390 /nfs/dbraw/zinc/40/13/90/820401390.db2.gz ADJWFPPNRHXKLM-UHFFFAOYSA-N -1 3 264.332 3.459 20 0 CGADHM Cc1cc(C)c(-c2ccccc2-c2nn[n-]n2)c(C)c1 ZINC001239548508 820401393 /nfs/dbraw/zinc/40/13/93/820401393.db2.gz ADJWFPPNRHXKLM-UHFFFAOYSA-N -1 3 264.332 3.459 20 0 CGADHM Cc1cccc(C)c1-c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001239598637 820445380 /nfs/dbraw/zinc/44/53/80/820445380.db2.gz ZEOMGORIGDKGMC-UHFFFAOYSA-N -1 3 268.295 3.290 20 0 CGADHM Cc1cccc(C)c1-c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001239598637 820445386 /nfs/dbraw/zinc/44/53/86/820445386.db2.gz ZEOMGORIGDKGMC-UHFFFAOYSA-N -1 3 268.295 3.290 20 0 CGADHM CC(C)Oc1ccc(-c2cc(F)cc(-c3nnn[n-]3)c2)cc1 ZINC001239961198 820740650 /nfs/dbraw/zinc/74/06/50/820740650.db2.gz RZFULGATSCDQDD-UHFFFAOYSA-N -1 3 298.321 3.460 20 0 CGADHM CC(C)Oc1ccc(-c2cc(F)cc(-c3nn[n-]n3)c2)cc1 ZINC001239961198 820740654 /nfs/dbraw/zinc/74/06/54/820740654.db2.gz RZFULGATSCDQDD-UHFFFAOYSA-N -1 3 298.321 3.460 20 0 CGADHM COc1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC001240032549 820797116 /nfs/dbraw/zinc/79/71/16/820797116.db2.gz SGIBVLFIIJLNQA-UHFFFAOYSA-N -1 3 286.722 3.196 20 0 CGADHM COc1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC001240032549 820797124 /nfs/dbraw/zinc/79/71/24/820797124.db2.gz SGIBVLFIIJLNQA-UHFFFAOYSA-N -1 3 286.722 3.196 20 0 CGADHM S=C1Cc2ccc(-c3cnn(C4CCOCC4)c3)cc2[N-]1 ZINC001240095114 820824058 /nfs/dbraw/zinc/82/40/58/820824058.db2.gz WHAKFMOOADWRCA-UHFFFAOYSA-N -1 3 299.399 3.197 20 0 CGADHM FC(F)(F)c1cc(-c2ccn3ccnc3c2)nc(=S)[n-]1 ZINC001240497530 821094338 /nfs/dbraw/zinc/09/43/38/821094338.db2.gz RUFYGISGOJXBPF-UHFFFAOYSA-N -1 3 296.277 3.099 20 0 CGADHM COC(=O)c1ccc(F)cc1-c1ccc([O-])c(F)c1 ZINC001240785595 821324184 /nfs/dbraw/zinc/32/41/84/821324184.db2.gz HOVZWJQLDVBNTP-UHFFFAOYSA-N -1 3 264.227 3.124 20 0 CGADHM CC(=O)Nc1ccc(-c2ccc([O-])c(F)c2)cc1F ZINC001240785824 821324941 /nfs/dbraw/zinc/32/49/41/821324941.db2.gz PJOMFJGAEQBULK-UHFFFAOYSA-N -1 3 263.243 3.296 20 0 CGADHM COC(=O)n1ccc2ccc(-c3ccc([O-])c(F)c3)nc21 ZINC001240786226 821326215 /nfs/dbraw/zinc/32/62/15/821326215.db2.gz QFTHGXMIVGZEEE-UHFFFAOYSA-N -1 3 286.262 3.163 20 0 CGADHM COCc1ccc(F)c(-c2ccc([O-])c(F)c2)c1 ZINC001240786759 821328065 /nfs/dbraw/zinc/32/80/65/821328065.db2.gz TUFDNDCQRKSYGU-UHFFFAOYSA-N -1 3 250.244 3.484 20 0 CGADHM [O-]c1ccc(-c2cccc(N3CCOCC3)c2)cc1F ZINC001240787182 821329088 /nfs/dbraw/zinc/32/90/88/821329088.db2.gz PSGBVOVKTWGDDO-UHFFFAOYSA-N -1 3 273.307 3.035 20 0 CGADHM Cc1ccc(F)cc1-c1ccc(-c2nnn[n-]2)cc1C ZINC001240921334 821416142 /nfs/dbraw/zinc/41/61/42/821416142.db2.gz ZZUSRCTYZSZACZ-UHFFFAOYSA-N -1 3 268.295 3.290 20 0 CGADHM Cc1ccc(F)cc1-c1ccc(-c2nn[n-]n2)cc1C ZINC001240921334 821416145 /nfs/dbraw/zinc/41/61/45/821416145.db2.gz ZZUSRCTYZSZACZ-UHFFFAOYSA-N -1 3 268.295 3.290 20 0 CGADHM COc1ccc(-c2ccc(CC(=O)[O-])cc2)cc1CN(C)C ZINC001240976222 821459891 /nfs/dbraw/zinc/45/98/91/821459891.db2.gz UEYPKFQQWJOYSF-UHFFFAOYSA-N -1 3 299.370 3.051 20 0 CGADHM Fc1ccc(-c2nnn[n-]2)cc1-c1cc(F)c(F)c(F)c1 ZINC001240982841 821465312 /nfs/dbraw/zinc/46/53/12/821465312.db2.gz HPQMQVNFUFMSAQ-UHFFFAOYSA-N -1 3 294.211 3.090 20 0 CGADHM Fc1ccc(-c2nn[n-]n2)cc1-c1cc(F)c(F)c(F)c1 ZINC001240982841 821465318 /nfs/dbraw/zinc/46/53/18/821465318.db2.gz HPQMQVNFUFMSAQ-UHFFFAOYSA-N -1 3 294.211 3.090 20 0 CGADHM CSc1nc2c(c(-c3ccccc3[O-])n1)CCCC2 ZINC001241003435 821481753 /nfs/dbraw/zinc/48/17/53/821481753.db2.gz MXXQGKIETGUHCA-UHFFFAOYSA-N -1 3 272.373 3.450 20 0 CGADHM COC(=O)c1cc(C(F)(F)F)cnc1-c1ccccc1[O-] ZINC001241003425 821482252 /nfs/dbraw/zinc/48/22/52/821482252.db2.gz MAWNMLNDUOUVLX-UHFFFAOYSA-N -1 3 297.232 3.260 20 0 CGADHM C[C@H]1CCCN(c2cc(-c3ccccc3[O-])ncn2)C1 ZINC001241008566 821485472 /nfs/dbraw/zinc/48/54/72/821485472.db2.gz IJHUMZYQGOZOGU-LBPRGKRZSA-N -1 3 269.348 3.086 20 0 CGADHM CSc1nc2ncnc(-c3ccccc3[O-])c2s1 ZINC001241008127 821485808 /nfs/dbraw/zinc/48/58/08/821485808.db2.gz KPSQYNCQXFAZGT-UHFFFAOYSA-N -1 3 275.358 3.181 20 0 CGADHM CN(C)/C=C/c1ccncc1-c1ccc(C(=O)[O-])c(F)c1 ZINC001241186816 821623866 /nfs/dbraw/zinc/62/38/66/821623866.db2.gz GZAVFNLANJLYDJ-SOFGYWHQSA-N -1 3 286.306 3.118 20 0 CGADHM Cc1ccc(C)c(-c2cc(-c3nnn[n-]3)ccc2F)c1 ZINC001241193236 821629507 /nfs/dbraw/zinc/62/95/07/821629507.db2.gz SJMAGJNTCCFWHR-UHFFFAOYSA-N -1 3 268.295 3.290 20 0 CGADHM Cc1ccc(C)c(-c2cc(-c3nn[n-]n3)ccc2F)c1 ZINC001241193236 821629514 /nfs/dbraw/zinc/62/95/14/821629514.db2.gz SJMAGJNTCCFWHR-UHFFFAOYSA-N -1 3 268.295 3.290 20 0 CGADHM [O-]c1cc(F)cc(-c2nncc3cc(F)ccc32)c1 ZINC001241256479 821677082 /nfs/dbraw/zinc/67/70/82/821677082.db2.gz WTPMFFUTFJWRRI-UHFFFAOYSA-N -1 3 258.227 3.281 20 0 CGADHM [O-]c1cc(F)cc(-c2ncccc2OC(F)(F)F)c1 ZINC001241257978 821677920 /nfs/dbraw/zinc/67/79/20/821677920.db2.gz QXKBUELBKPKCSN-UHFFFAOYSA-N -1 3 273.185 3.492 20 0 CGADHM [O-]c1cc(F)cc(-c2ccc(-c3ccccn3)nn2)c1 ZINC001241261793 821681513 /nfs/dbraw/zinc/68/15/13/821681513.db2.gz RGIOGYRZQSWFIF-UHFFFAOYSA-N -1 3 267.263 3.050 20 0 CGADHM CC(C)(C)NC(=O)c1cccnc1-c1cc([O-])cc(F)c1 ZINC001241262434 821682438 /nfs/dbraw/zinc/68/24/38/821682438.db2.gz LKWNDRZPJNBDBJ-UHFFFAOYSA-N -1 3 288.322 3.122 20 0 CGADHM [O-]c1cc(F)cc(-c2ccc3nc(C(F)(F)F)[nH]c3n2)c1 ZINC001241262348 821682644 /nfs/dbraw/zinc/68/26/44/821682644.db2.gz ZEJLWWGQYXHZAE-UHFFFAOYSA-N -1 3 297.211 3.488 20 0 CGADHM CC(=O)O[C@@H]1Cc2ccc(-c3cc([O-])cc(F)c3)cc2C1 ZINC001241266059 821685787 /nfs/dbraw/zinc/68/57/87/821685787.db2.gz CATOZRLDNCEACK-QGZVFWFLSA-N -1 3 286.302 3.229 20 0 CGADHM COc1nc(-c2cc([O-])cc(F)c2)ccc1-n1cnc(C)c1 ZINC001241266933 821686623 /nfs/dbraw/zinc/68/66/23/821686623.db2.gz PEAAFFIOLRDRTE-UHFFFAOYSA-N -1 3 299.305 3.096 20 0 CGADHM [O-]c1cc(F)cc(-c2ccc3nnc(C(F)(F)F)n3c2)c1 ZINC001241270864 821688513 /nfs/dbraw/zinc/68/85/13/821688513.db2.gz DHEFQXRUYZNTME-UHFFFAOYSA-N -1 3 297.211 3.260 20 0 CGADHM COC(=O)c1cc2[nH]ccc2c(-c2cc([O-])cc(F)c2)c1 ZINC001241271325 821689774 /nfs/dbraw/zinc/68/97/74/821689774.db2.gz BRMKNIKQHKBERT-UHFFFAOYSA-N -1 3 285.274 3.466 20 0 CGADHM [O-]c1cc(F)cc(-c2ccc3nnc(C4CC4)n3c2)c1 ZINC001241280071 821698558 /nfs/dbraw/zinc/69/85/58/821698558.db2.gz BKIANAXUYWDULT-UHFFFAOYSA-N -1 3 269.279 3.118 20 0 CGADHM CC1(C)C(=O)NCc2cccc(-c3cc([O-])cc(F)c3)c21 ZINC001241280727 821699880 /nfs/dbraw/zinc/69/98/80/821699880.db2.gz UCBZLRNLQDUCAO-UHFFFAOYSA-N -1 3 285.318 3.106 20 0 CGADHM COC(=O)c1c(F)cc(-c2cc([O-])cc(F)c2)cc1OC ZINC001241282505 821701780 /nfs/dbraw/zinc/70/17/80/821701780.db2.gz LDGCPGPFSPRHFR-UHFFFAOYSA-N -1 3 294.253 3.133 20 0 CGADHM O=C1CC[C@@H](c2ccc(-c3cc([O-])cc(F)c3)cc2)N1 ZINC001241282924 821701797 /nfs/dbraw/zinc/70/17/97/821701797.db2.gz PKLBZGLXILHVFK-HNNXBMFYSA-N -1 3 271.291 3.149 20 0 CGADHM Cc1ccc(-c2ccc(F)c(C)c2)cc1-c1nnn[n-]1 ZINC001241282266 821702210 /nfs/dbraw/zinc/70/22/10/821702210.db2.gz MAKUAFZFMWRSIL-UHFFFAOYSA-N -1 3 268.295 3.290 20 0 CGADHM Cc1ccc(-c2ccc(F)c(C)c2)cc1-c1nn[n-]n1 ZINC001241282266 821702214 /nfs/dbraw/zinc/70/22/14/821702214.db2.gz MAKUAFZFMWRSIL-UHFFFAOYSA-N -1 3 268.295 3.290 20 0 CGADHM COC(=O)c1c(F)ccc(F)c1-c1cc([O-])cc(F)c1 ZINC001241283780 821703061 /nfs/dbraw/zinc/70/30/61/821703061.db2.gz ZXFVOGNFOHWOCW-UHFFFAOYSA-N -1 3 282.217 3.263 20 0 CGADHM COC(=O)[C@@H](C)c1cccc(-c2cc([O-])cc(F)c2)c1 ZINC001241283708 821703533 /nfs/dbraw/zinc/70/35/33/821703533.db2.gz YLSBADAKDPSYIH-JTQLQIEISA-N -1 3 274.291 3.475 20 0 CGADHM COc1cccc(-c2c(F)ccc([O-])c2F)c1OC ZINC001241291245 821707736 /nfs/dbraw/zinc/70/77/36/821707736.db2.gz KZEFZUGVARXMNP-UHFFFAOYSA-N -1 3 266.243 3.355 20 0 CGADHM COCOc1ccc(OC)cc1-c1c(F)ccc([O-])c1F ZINC001241293237 821711432 /nfs/dbraw/zinc/71/14/32/821711432.db2.gz DNLQXGTVVDVGDL-UHFFFAOYSA-N -1 3 296.269 3.329 20 0 CGADHM CCOC(=O)c1cnc(C)c(-c2c(F)ccc([O-])c2F)c1 ZINC001241293156 821711568 /nfs/dbraw/zinc/71/15/68/821711568.db2.gz BUTXWQZUFVNZOS-UHFFFAOYSA-N -1 3 293.269 3.218 20 0 CGADHM CCOC(=O)c1ncc(-c2c(F)ccc([O-])c2F)cc1C ZINC001241294482 821712537 /nfs/dbraw/zinc/71/25/37/821712537.db2.gz YTQNFYVOKCVMNO-UHFFFAOYSA-N -1 3 293.269 3.218 20 0 CGADHM Fc1ccc(-c2ccc(-c3nnn[n-]3)cc2)c2occc21 ZINC001241444352 821838597 /nfs/dbraw/zinc/83/85/97/821838597.db2.gz UZZYANVHISFAPZ-UHFFFAOYSA-N -1 3 280.262 3.419 20 0 CGADHM Fc1ccc(-c2ccc(-c3nn[n-]n3)cc2)c2occc21 ZINC001241444352 821838602 /nfs/dbraw/zinc/83/86/02/821838602.db2.gz UZZYANVHISFAPZ-UHFFFAOYSA-N -1 3 280.262 3.419 20 0 CGADHM COc1cc2[nH]ccc2c(-c2ccc(-c3nnn[n-]3)cc2)c1 ZINC001241444367 821839312 /nfs/dbraw/zinc/83/93/12/821839312.db2.gz ADNMLLXXCVGBDU-UHFFFAOYSA-N -1 3 291.314 3.024 20 0 CGADHM COc1cc2[nH]ccc2c(-c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001241444367 821839317 /nfs/dbraw/zinc/83/93/17/821839317.db2.gz ADNMLLXXCVGBDU-UHFFFAOYSA-N -1 3 291.314 3.024 20 0 CGADHM Cc1cc(F)c(-c2ccc(-c3nnn[n-]3)cc2)cc1F ZINC001241444935 821840309 /nfs/dbraw/zinc/84/03/09/821840309.db2.gz JNWRULOYXRDYTC-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM Cc1cc(F)c(-c2ccc(-c3nn[n-]n3)cc2)cc1F ZINC001241444935 821840315 /nfs/dbraw/zinc/84/03/15/821840315.db2.gz JNWRULOYXRDYTC-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM Fc1cnc2cc(-c3ccc(-c4nnn[n-]4)cc3)ccc2c1 ZINC001241445341 821840956 /nfs/dbraw/zinc/84/09/56/821840956.db2.gz NBAGXPDFMZIQML-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Fc1cnc2cc(-c3ccc(-c4nn[n-]n4)cc3)ccc2c1 ZINC001241445341 821840964 /nfs/dbraw/zinc/84/09/64/821840964.db2.gz NBAGXPDFMZIQML-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Cc1cc(-c2ccc(-c3nnn[n-]3)cc2)cc(F)c1F ZINC001241444973 821841574 /nfs/dbraw/zinc/84/15/74/821841574.db2.gz GHGAEDGYXFKPOV-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM Cc1cc(-c2ccc(-c3nn[n-]n3)cc2)cc(F)c1F ZINC001241444973 821841579 /nfs/dbraw/zinc/84/15/79/821841579.db2.gz GHGAEDGYXFKPOV-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM CC(C)Oc1ccc(-c2ccc(=S)[n-]n2)c(F)c1 ZINC001241647505 822028948 /nfs/dbraw/zinc/02/89/48/822028948.db2.gz DZBZPHLQKSZHMR-UHFFFAOYSA-N -1 3 264.325 3.359 20 0 CGADHM CC(C)Oc1ccc(-c2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC001241654259 822032059 /nfs/dbraw/zinc/03/20/59/822032059.db2.gz VGLNVCWXSXXANI-UHFFFAOYSA-N -1 3 298.321 3.460 20 0 CGADHM CC(C)Oc1ccc(-c2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC001241654259 822032064 /nfs/dbraw/zinc/03/20/64/822032064.db2.gz VGLNVCWXSXXANI-UHFFFAOYSA-N -1 3 298.321 3.460 20 0 CGADHM Cc1ccc(-c2ccc(Cc3nnn[n-]3)cc2)c(F)c1F ZINC001242030609 822294746 /nfs/dbraw/zinc/29/47/46/822294746.db2.gz LMHPOSQGMLSSKV-UHFFFAOYSA-N -1 3 286.285 3.044 20 0 CGADHM Cc1ccc(-c2ccc(Cc3nn[n-]n3)cc2)c(F)c1F ZINC001242030609 822294758 /nfs/dbraw/zinc/29/47/58/822294758.db2.gz LMHPOSQGMLSSKV-UHFFFAOYSA-N -1 3 286.285 3.044 20 0 CGADHM COC(=O)c1cc(-c2ccc([O-])c(C(F)(F)F)c2)ccn1 ZINC001242157900 822899106 /nfs/dbraw/zinc/89/91/06/822899106.db2.gz OSCJMTLPFHNJLL-UHFFFAOYSA-N -1 3 297.232 3.260 20 0 CGADHM CC(C)Oc1ccc(-c2ccccc2-c2nnn[n-]2)cc1F ZINC001242198320 822908239 /nfs/dbraw/zinc/90/82/39/822908239.db2.gz CNBWFODMEQTWSP-UHFFFAOYSA-N -1 3 298.321 3.460 20 0 CGADHM CC(C)Oc1ccc(-c2ccccc2-c2nn[n-]n2)cc1F ZINC001242198320 822908241 /nfs/dbraw/zinc/90/82/41/822908241.db2.gz CNBWFODMEQTWSP-UHFFFAOYSA-N -1 3 298.321 3.460 20 0 CGADHM COC(=O)C1(c2ccc(-c3ccc(F)cc3[O-])cc2)CC1 ZINC001242218350 822915154 /nfs/dbraw/zinc/91/51/54/822915154.db2.gz ACZBHSRWTRHSAC-UHFFFAOYSA-N -1 3 286.302 3.403 20 0 CGADHM O=C(c1ccc(-c2ccc(F)cc2[O-])cc1)N1CCCC1 ZINC001242219391 822915397 /nfs/dbraw/zinc/91/53/97/822915397.db2.gz RHXOIKKMXNROEK-UHFFFAOYSA-N -1 3 285.318 3.434 20 0 CGADHM CN1Cc2c(cccc2-c2ccc(F)cc2[O-])NC1=O ZINC001242219020 822915406 /nfs/dbraw/zinc/91/54/06/822915406.db2.gz HCXXSILYAPSZJO-UHFFFAOYSA-N -1 3 272.279 3.176 20 0 CGADHM CCN(CC)C(=O)c1ccc(-c2ccc(F)cc2[O-])cn1 ZINC001242218977 822915674 /nfs/dbraw/zinc/91/56/74/822915674.db2.gz GEOVDUWNXPIGOU-UHFFFAOYSA-N -1 3 288.322 3.075 20 0 CGADHM CCN(CC)C(=O)c1cncc(-c2ccc(F)cc2[O-])c1 ZINC001242218714 822915757 /nfs/dbraw/zinc/91/57/57/822915757.db2.gz MNJCNMDCSGXLHH-UHFFFAOYSA-N -1 3 288.322 3.075 20 0 CGADHM O=C1Nc2cccc(-c3ccc(F)cc3[O-])c2C12CC2 ZINC001242218795 822915899 /nfs/dbraw/zinc/91/58/99/822915899.db2.gz AMTDZKRHLOWQMS-UHFFFAOYSA-N -1 3 269.275 3.182 20 0 CGADHM O=c1cc(-c2ccc(F)cc2[O-])ccn1C1CCC1 ZINC001242219799 822916260 /nfs/dbraw/zinc/91/62/60/822916260.db2.gz RGNGZUOVGWCHHB-UHFFFAOYSA-N -1 3 259.280 3.085 20 0 CGADHM COC(=O)c1cc2cccc(-c3ccc(F)cc3[O-])c2[nH]1 ZINC001242221751 822917346 /nfs/dbraw/zinc/91/73/46/822917346.db2.gz WYCATQSUIBSOMZ-UHFFFAOYSA-N -1 3 285.274 3.466 20 0 CGADHM CC(C)Oc1ccccc1-c1cccc(-c2nnn[n-]2)c1 ZINC001242223711 822917909 /nfs/dbraw/zinc/91/79/09/822917909.db2.gz INRTVJYDOWVZNR-UHFFFAOYSA-N -1 3 280.331 3.321 20 0 CGADHM CC(C)Oc1ccccc1-c1cccc(-c2nn[n-]n2)c1 ZINC001242223711 822917911 /nfs/dbraw/zinc/91/79/11/822917911.db2.gz INRTVJYDOWVZNR-UHFFFAOYSA-N -1 3 280.331 3.321 20 0 CGADHM Cc1cc(Cl)cc(-c2cncc(-c3nnn[n-]3)c2)c1F ZINC001242226725 822918843 /nfs/dbraw/zinc/91/88/43/822918843.db2.gz KWLYIIMEFFQKFL-UHFFFAOYSA-N -1 3 289.701 3.030 20 0 CGADHM Cc1cc(Cl)cc(-c2cncc(-c3nn[n-]n3)c2)c1F ZINC001242226725 822918845 /nfs/dbraw/zinc/91/88/45/822918845.db2.gz KWLYIIMEFFQKFL-UHFFFAOYSA-N -1 3 289.701 3.030 20 0 CGADHM COC(=O)c1noc2cc(-c3cccc(F)c3[O-])ccc21 ZINC001242350148 822960776 /nfs/dbraw/zinc/96/07/76/822960776.db2.gz AAQDHLZJMDKZIM-UHFFFAOYSA-N -1 3 287.246 3.126 20 0 CGADHM [O-]c1c(F)cccc1-c1ccnc(N2CCCC2)c1 ZINC001242350528 822961443 /nfs/dbraw/zinc/96/14/43/822961443.db2.gz GQKHZPQRDXQLCP-UHFFFAOYSA-N -1 3 258.296 3.194 20 0 CGADHM COC(=O)c1cc(F)cc(-c2cccc(F)c2[O-])c1C ZINC001242352063 822962012 /nfs/dbraw/zinc/96/20/12/822962012.db2.gz KAABHHWGXCRGOI-UHFFFAOYSA-N -1 3 278.254 3.432 20 0 CGADHM CC(=O)N1CCc2cc(-c3cccc(F)c3[O-])ccc21 ZINC001242351690 822962242 /nfs/dbraw/zinc/96/22/42/822962242.db2.gz OZLCFKXFNBGGHY-UHFFFAOYSA-N -1 3 271.291 3.107 20 0 CGADHM CN(C)Cc1ccc(-c2cccc(Cl)c2[O-])nc1 ZINC001242365537 822968989 /nfs/dbraw/zinc/96/89/89/822968989.db2.gz WKMJOGFUEIXIMW-UHFFFAOYSA-N -1 3 262.740 3.169 20 0 CGADHM CN(C)/C=C/c1ccncc1-c1cccc(C(=O)[O-])c1F ZINC001242382286 822975929 /nfs/dbraw/zinc/97/59/29/822975929.db2.gz SWMWHLQVEFFCSC-VQHVLOKHSA-N -1 3 286.306 3.118 20 0 CGADHM FC(F)Oc1ccc(-c2ccc(=S)[n-]n2)cc1 ZINC001242440596 822995931 /nfs/dbraw/zinc/99/59/31/822995931.db2.gz AORVEFCDMUGGCH-UHFFFAOYSA-N -1 3 254.261 3.034 20 0 CGADHM O=C([N-]Cc1ccccc1)C(F)(F)c1cc(F)cc(F)c1 ZINC001350676085 936997949 /nfs/dbraw/zinc/99/79/49/936997949.db2.gz YHWRDCIWCWEKPN-UHFFFAOYSA-N -1 3 297.251 3.373 20 0 CGADHM CSc1ccc(CCC(=O)[N-]OCC(C)C)cc1 ZINC001355301965 937135289 /nfs/dbraw/zinc/13/52/89/937135289.db2.gz OGBLRMHOGSAYJW-UHFFFAOYSA-N -1 3 267.394 3.045 20 0 CGADHM C[C@@H]1CC[C@@H](NC(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000356047438 927950554 /nfs/dbraw/zinc/95/05/54/927950554.db2.gz GITHVDCJIDGJNG-BXUZGUMPSA-N -1 3 269.344 3.464 20 0 CGADHM CCN(Cc1ccccc1)C(=O)c1c([O-])cccc1OC ZINC000170248417 928208306 /nfs/dbraw/zinc/20/83/06/928208306.db2.gz WTKKQHUUPTXYFC-UHFFFAOYSA-N -1 3 285.343 3.063 20 0 CGADHM CCC[C@H]1CCCN1Cc1nc(=O)c2sccc2[n-]1 ZINC001365336345 937235021 /nfs/dbraw/zinc/23/50/21/937235021.db2.gz JXPLVEKGHACQOV-JTQLQIEISA-N -1 3 277.393 3.161 20 0 CGADHM O=C(Nc1cccc([O-])c1F)c1ccc2cnccc2c1 ZINC001545835781 937248371 /nfs/dbraw/zinc/24/83/71/937248371.db2.gz NXGIOWMUPBLKLA-UHFFFAOYSA-N -1 3 282.274 3.332 20 0 CGADHM CC(=O)c1ccc(C(=O)N(C)[C@H](C)c2ccccc2)cc1[O-] ZINC001440665653 937333095 /nfs/dbraw/zinc/33/30/95/937333095.db2.gz LNTSKTXDNHDFHK-GFCCVEGCSA-N -1 3 297.354 3.428 20 0 CGADHM Cc1ccc(C(=O)Nc2ccc3c(c2)N(C)CC3)c([O-])c1C ZINC001446848709 937364854 /nfs/dbraw/zinc/36/48/54/937364854.db2.gz YRJVCJFHHCLOCI-UHFFFAOYSA-N -1 3 296.370 3.254 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)C[C@@H]1C[C@H]1Cc1ccccc1 ZINC001450379431 937385733 /nfs/dbraw/zinc/38/57/33/937385733.db2.gz ZZAYGVGPWACXSJ-IMJJTQAJSA-N -1 3 275.392 3.349 20 0 CGADHM CCc1cccc(C(=O)Nc2ccn3cc(C)nc3c2)c1[O-] ZINC001453999386 937405886 /nfs/dbraw/zinc/40/58/86/937405886.db2.gz VFIJPOBRAUXTLC-UHFFFAOYSA-N -1 3 295.342 3.163 20 0 CGADHM CC[C@H]1CCCC[C@@H]1CNC(=O)c1c([O-])cccc1O ZINC001457861532 937446555 /nfs/dbraw/zinc/44/65/55/937446555.db2.gz SUNQXCLLEQGPNG-NWDGAFQWSA-N -1 3 277.364 3.044 20 0 CGADHM C=C/C=C\CCNC(=O)c1ccc(OCCCC)cc1[O-] ZINC001457987761 937447881 /nfs/dbraw/zinc/44/78/81/937447881.db2.gz YRHLXXFNGBYAMY-ALCCZGGFSA-N -1 3 289.375 3.433 20 0 CGADHM CC(=O)OCSc1nnc([N-]c2ccccc2F)s1 ZINC001458776377 937473572 /nfs/dbraw/zinc/47/35/72/937473572.db2.gz FDPXSTYRTDNCHG-UHFFFAOYSA-N -1 3 299.352 3.034 20 0 CGADHM CC(=O)c1cc(C(C)C)c([O-])cc1O[C@@H](C)C(C)=O ZINC001228958663 932059470 /nfs/dbraw/zinc/05/94/70/932059470.db2.gz NSQABNKSTIQSKR-NSHDSACASA-N -1 3 264.321 3.075 20 0 CGADHM Cc1nocc1[N-]C(=O)c1ncccc1Oc1ccccc1 ZINC001461254782 937572447 /nfs/dbraw/zinc/57/24/47/937572447.db2.gz OMMPQNROEJUMMN-UHFFFAOYSA-N -1 3 295.298 3.423 20 0 CGADHM Cc1cccc2c1[C@@H](Oc1nc(C)[n-]c(=O)c1C)CC2 ZINC001229683881 932188582 /nfs/dbraw/zinc/18/85/82/932188582.db2.gz OVRARUNQJPGFGX-ZDUSSCGKSA-N -1 3 270.332 3.174 20 0 CGADHM Cc1nc(O[C@@H](C)CCc2ccccc2)c(C)c(=O)[n-]1 ZINC001229685902 932188801 /nfs/dbraw/zinc/18/88/01/932188801.db2.gz PGTKMOITFJHOAK-NSHDSACASA-N -1 3 272.348 3.199 20 0 CGADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)c1ccccc1F ZINC001231072682 932671813 /nfs/dbraw/zinc/67/18/13/932671813.db2.gz FQPIJWBZRMLKBT-JTQLQIEISA-N -1 3 284.294 3.146 20 0 CGADHM O=C(Cc1cccnc1Cl)Nc1cc(Cl)ccc1[O-] ZINC001466257348 937707363 /nfs/dbraw/zinc/70/73/63/937707363.db2.gz BPGUCTJXYCBMJQ-UHFFFAOYSA-N -1 3 297.141 3.275 20 0 CGADHM C[C@@]1(C(=O)Nc2ccc(Cl)cc2[O-])C=CCC1 ZINC001466631795 937710995 /nfs/dbraw/zinc/71/09/95/937710995.db2.gz YFLVVGWCODWRBR-CYBMUJFWSA-N -1 3 251.713 3.340 20 0 CGADHM CC[C@H](NC(=O)c1ccc(O)cc1[O-])c1ccc(F)cc1 ZINC001320062624 933990410 /nfs/dbraw/zinc/99/04/10/933990410.db2.gz YLSPZTPXUIIEAR-AWEZNQCLSA-N -1 3 289.306 3.118 20 0 CGADHM C[C@@H](CC(=O)[N-]OCC1CCC1)C1CCCCC1 ZINC001470289911 937751156 /nfs/dbraw/zinc/75/11/56/937751156.db2.gz IYRWAWJGSJKCKW-LBPRGKRZSA-N -1 3 253.386 3.441 20 0 CGADHM Cc1cccc([O-])c1C(=O)NC[C@@H]1C[C@@H]1Cc1ccccc1 ZINC001472374119 937775633 /nfs/dbraw/zinc/77/56/33/937775633.db2.gz MAJFHNNZHZTHQZ-HOTGVXAUSA-N -1 3 295.382 3.309 20 0 CGADHM CC(C)c1ccoc1C(=O)[N-]c1c(F)ccnc1F ZINC001325099056 934886083 /nfs/dbraw/zinc/88/60/83/934886083.db2.gz FEXSSDRXRNCMFE-UHFFFAOYSA-N -1 3 266.247 3.329 20 0 CGADHM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1C[N-]C(=O)C(F)(F)F ZINC001325210011 934894145 /nfs/dbraw/zinc/89/41/45/934894145.db2.gz KQOQBSKJBCBOIE-VWYCJHECSA-N -1 3 265.319 3.373 20 0 CGADHM CC(=O)[C@@H](C)CCOC(=O)CCCc1ccc([O-])c(F)c1 ZINC001327966691 935103579 /nfs/dbraw/zinc/10/35/79/935103579.db2.gz KQGRZPWWXZOAHZ-NSHDSACASA-N -1 3 296.338 3.012 20 0 CGADHM CC(C)O[N-]C(=O)CCc1ccc(-c2ccccc2F)o1 ZINC001328052852 935112581 /nfs/dbraw/zinc/11/25/81/935112581.db2.gz WNZVHUVNGYJVJY-UHFFFAOYSA-N -1 3 291.322 3.475 20 0 CGADHM CON(C(=O)c1cc2sccc2c([O-])c1)C(C)C ZINC001328596280 935151297 /nfs/dbraw/zinc/15/12/97/935151297.db2.gz PQOILBNIUOMHGB-UHFFFAOYSA-N -1 3 265.334 3.019 20 0 CGADHM C[C@@H]1CN([C@@H](C(=O)[O-])c2ccccc2Cl)C[C@H](C)S1 ZINC001328739225 935163859 /nfs/dbraw/zinc/16/38/59/935163859.db2.gz DEZIOIGMXIYFRW-GBIKHYSHSA-N -1 3 299.823 3.292 20 0 CGADHM CC(C)c1scnc1C(=O)[N-]c1c(F)ccnc1F ZINC001334104246 936085319 /nfs/dbraw/zinc/08/53/19/936085319.db2.gz ADSGSBFHWIKSSG-UHFFFAOYSA-N -1 3 283.303 3.192 20 0 CGADHM O=C([O-])c1cc(CN[C@@H](CC2CCC2)c2ccccc2)[nH]n1 ZINC001334806497 936116073 /nfs/dbraw/zinc/11/60/73/936116073.db2.gz QDYFVHSNNQFYCA-HNNXBMFYSA-N -1 3 299.374 3.129 20 0 CGADHM CN(Cc1cc(C(C)(C)C)n[nH]1)Cc1ccc([O-])c(F)c1 ZINC001335050109 936127568 /nfs/dbraw/zinc/12/75/68/936127568.db2.gz DEVFEDRQNBCBMK-UHFFFAOYSA-N -1 3 291.370 3.184 20 0 CGADHM Cc1ccc(CSCc2cc(=O)[n-]c(C3CC3)n2)o1 ZINC001335238708 936135001 /nfs/dbraw/zinc/13/50/01/936135001.db2.gz KXLLTKCNIHSCAA-UHFFFAOYSA-N -1 3 276.361 3.394 20 0 CGADHM CCOc1ccc(OC(=O)c2cccc([O-])c2F)cc1 ZINC001540439093 938131421 /nfs/dbraw/zinc/13/14/21/938131421.db2.gz JGZHLXPJJNQWIE-UHFFFAOYSA-N -1 3 276.263 3.149 20 0 CGADHM O=C(c1ccc(O)cc1[O-])N1CC[C@@H]1C1CCCCCC1 ZINC001551924962 938188658 /nfs/dbraw/zinc/18/86/58/938188658.db2.gz ATTNBPGCGOAOME-OAHLLOKOSA-N -1 3 289.375 3.283 20 0 CGADHM CCc1cccc(C(=O)NCc2nc3ccccc3o2)c1[O-] ZINC001556832383 938206093 /nfs/dbraw/zinc/20/60/93/938206093.db2.gz XFFSUPQPEBUCHQ-UHFFFAOYSA-N -1 3 296.326 3.026 20 0 CGADHM CCc1ccc(C(=O)N[C@@H]2C[C@@H]3CCCC[C@H]23)c([O-])c1 ZINC001558139175 938213737 /nfs/dbraw/zinc/21/37/37/938213737.db2.gz MSAYIBCDDIHJKW-KCQAQPDRSA-N -1 3 273.376 3.263 20 0 CGADHM [O-]c1cccc(CNc2cc(F)ccn2)c1Br ZINC001560584624 938264113 /nfs/dbraw/zinc/26/41/13/938264113.db2.gz PNPXCWPCSIOCCI-UHFFFAOYSA-N -1 3 297.127 3.301 20 0 CGADHM CNc1ccc(C)cc1CN[C@H](C(=O)[O-])c1cccc(C)c1 ZINC001593803492 954867233 /nfs/dbraw/zinc/86/72/33/954867233.db2.gz CPYIHEPSQFPUIZ-KRWDZBQOSA-N -1 3 298.386 3.261 20 0 CGADHM O=C([O-])[C@@H]1CCCCCN1Cc1cc(F)ccc1Cl ZINC000124469266 958531944 /nfs/dbraw/zinc/53/19/44/958531944.db2.gz MDEJEUOVJZBTMG-ZDUSSCGKSA-N -1 3 285.746 3.308 20 0 CGADHM C[C@@H]1CCN(Cc2cc(C(=O)[O-])ccc2F)C[C@@H]1C ZINC000131571201 958751189 /nfs/dbraw/zinc/75/11/89/958751189.db2.gz JMWGWAFHXVMMIO-MNOVXSKESA-N -1 3 265.328 3.002 20 0 CGADHM Cc1cccc([C@H](NCc2cccc(F)c2)C(=O)[O-])c1 ZINC001594396698 958772772 /nfs/dbraw/zinc/77/27/72/958772772.db2.gz AKKXAMFUZJRDJK-HNNXBMFYSA-N -1 3 273.307 3.050 20 0 CGADHM CC1(C)CC[C@H]1N[C@@H](C(=O)[O-])c1c(F)cccc1Cl ZINC001593887104 960510051 /nfs/dbraw/zinc/51/00/51/960510051.db2.gz ZLYFFASYVGYDKP-ZYHUDNBSSA-N -1 3 285.746 3.383 20 0 CGADHM C/C(=C\C(=O)[N-]OCc1ccc(F)cc1)c1ccco1 ZINC001567455160 961356428 /nfs/dbraw/zinc/35/64/28/961356428.db2.gz VPKYQWDVYIKNGB-PKNBQFBNSA-N -1 3 275.279 3.070 20 0 CGADHM C[C@H]1CCC[C@H](COc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001576150552 962441328 /nfs/dbraw/zinc/44/13/28/962441328.db2.gz BKQDXNVXPATFHT-RYUDHWBXSA-N -1 3 272.352 3.072 20 0 CGADHM Cc1ccc2c(c1)[C@H](NC(=O)c1c(C)cccc1[O-])CC2 ZINC001583457730 962809265 /nfs/dbraw/zinc/80/92/65/962809265.db2.gz WZMUZCPSICYVSM-OAHLLOKOSA-N -1 3 281.355 3.426 20 0 CGADHM Cc1ccc([N-]C(=O)c2nnc(-c3ccco3)o2)c(F)c1 ZINC001587376690 963190040 /nfs/dbraw/zinc/19/00/40/963190040.db2.gz DBUCUYUXNNVZGM-UHFFFAOYSA-N -1 3 287.250 3.029 20 0 CGADHM C=C/C=C\CCSc1ccc(-c2nnn[n-]2)cc1 ZINC001588530675 963276324 /nfs/dbraw/zinc/27/63/24/963276324.db2.gz SAXIOMVAKGHTPE-ARJAWSKDSA-N -1 3 258.350 3.091 20 0 CGADHM C=C/C=C\CCSc1ccc(-c2nn[n-]n2)cc1 ZINC001588530675 963276336 /nfs/dbraw/zinc/27/63/36/963276336.db2.gz SAXIOMVAKGHTPE-ARJAWSKDSA-N -1 3 258.350 3.091 20 0 CGADHM CC(C)(C)CCN1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001589124569 963345676 /nfs/dbraw/zinc/34/56/76/963345676.db2.gz JAUQQODOHUIZMK-UHFFFAOYSA-N -1 3 285.395 3.056 20 0 CGADHM CC(C)=CCCOc1c(Cl)cc(F)cc1-c1nnn[n-]1 ZINC001589376438 963981324 /nfs/dbraw/zinc/98/13/24/963981324.db2.gz IJDIYIIMPLGDMP-UHFFFAOYSA-N -1 3 296.733 3.394 20 0 CGADHM CC(C)=CCCOc1c(Cl)cc(F)cc1-c1nn[n-]n1 ZINC001589376438 963981330 /nfs/dbraw/zinc/98/13/30/963981330.db2.gz IJDIYIIMPLGDMP-UHFFFAOYSA-N -1 3 296.733 3.394 20 0 CGADHM CC(C)=CCC[C@H](C)Nc1cc(-c2nnn[n-]2)cc(C)n1 ZINC001589372699 963981988 /nfs/dbraw/zinc/98/19/88/963981988.db2.gz UVRWMMIUNZUSRF-NSHDSACASA-N -1 3 286.383 3.117 20 0 CGADHM CC(C)=CCC[C@H](C)Nc1cc(-c2nn[n-]n2)cc(C)n1 ZINC001589372699 963981999 /nfs/dbraw/zinc/98/19/99/963981999.db2.gz UVRWMMIUNZUSRF-NSHDSACASA-N -1 3 286.383 3.117 20 0 CGADHM C[C@@H](C(=O)[O-])N(Cc1cc2cc(F)ccc2o1)C1CCC1 ZINC001589486497 963993206 /nfs/dbraw/zinc/99/32/06/963993206.db2.gz FZVZEHIILJUJNY-JTQLQIEISA-N -1 3 291.322 3.400 20 0 CGADHM C[C@@H]1CCC[C@H](C(=O)[O-])N1Cc1ccc(Cl)cc1F ZINC001605004421 972607316 /nfs/dbraw/zinc/60/73/16/972607316.db2.gz UOQVSFNUUMJJHJ-NOZJJQNGSA-N -1 3 285.746 3.307 20 0 CGADHM O=C([O-])C1(NCc2csc(Cl)n2)CCCCCC1 ZINC001605959600 972929368 /nfs/dbraw/zinc/92/93/68/972929368.db2.gz OSPPGWJTMIJNOG-UHFFFAOYSA-N -1 3 288.800 3.064 20 0 CGADHM C[C@@H](NC[C@@H](C)CC(F)(F)F)c1ncc(C(=O)[O-])s1 ZINC000396963476 972955353 /nfs/dbraw/zinc/95/53/53/972955353.db2.gz DPYYHGBBZCGXGA-NKWVEPMBSA-N -1 3 296.314 3.080 20 0 CGADHM O=C([O-])c1sccc1CN1CCC2(CC2(F)F)CC1 ZINC000405106928 973765009 /nfs/dbraw/zinc/76/50/09/973765009.db2.gz YUXVKZJMCUQZPG-UHFFFAOYSA-N -1 3 287.331 3.068 20 0 CGADHM CC[C@@H](NCc1ccoc1)c1ccc(C(=O)[O-])cc1 ZINC001595304653 980439791 /nfs/dbraw/zinc/43/97/91/980439791.db2.gz HJQHTKOCVUFELQ-CQSZACIVSA-N -1 3 259.305 3.219 20 0 CGADHM CC[C@@H](C)[C@H](C(=O)[O-])N1Cc2ccc(Cl)cc2C1 ZINC001594874292 982201056 /nfs/dbraw/zinc/20/10/56/982201056.db2.gz VGVINGVILRLSMS-NOZJJQNGSA-N -1 3 267.756 3.155 20 0 CGADHM CC[C@H](C)[C@@H](CN[C@H](C(=O)[O-])c1ccccc1Cl)OC ZINC001594883508 982253293 /nfs/dbraw/zinc/25/32/93/982253293.db2.gz RLELIZXPSGQMJU-GDLCADMTSA-N -1 3 299.798 3.116 20 0 CGADHM CCCc1nc(CN[C@H](C(=O)[O-])C2CCCCC2)cs1 ZINC001596089886 983414047 /nfs/dbraw/zinc/41/40/47/983414047.db2.gz PYCCMZNNAFETQM-AWEZNQCLSA-N -1 3 296.436 3.219 20 0 CGADHM CCCc1nc(CN[C@]2(C)CCCC[C@H]2C(=O)[O-])cs1 ZINC001596089931 983414859 /nfs/dbraw/zinc/41/48/59/983414859.db2.gz QXABAKBRKLITKW-SWLSCSKDSA-N -1 3 296.436 3.219 20 0 CGADHM CCOc1c(Cl)cccc1CN1CC[C@@H](C(=O)[O-])[C@H]1C ZINC001596993182 986282624 /nfs/dbraw/zinc/28/26/24/986282624.db2.gz YNPVFHHMDZZPPJ-ZYHUDNBSSA-N -1 3 297.782 3.034 20 0 CGADHM CC(C)CC1(C)CCN(Cc2ccc(C(=O)[O-])[nH]2)CC1 ZINC001591196949 992014675 /nfs/dbraw/zinc/01/46/75/992014675.db2.gz PEGAHFXBCHOMOQ-UHFFFAOYSA-N -1 3 278.396 3.361 20 0 CGADHM C[C@H](NCC12CCC(CC1)C2)c1ncc(C(=O)[O-])s1 ZINC001593252571 994507931 /nfs/dbraw/zinc/50/79/31/994507931.db2.gz TYUBHTLIXGKRGX-IPWFMCSPSA-N -1 3 280.393 3.072 20 0 CGADHM CC(C)n1cc([C@H](C)NCc2cc(C(=O)[O-])cs2)cn1 ZINC001593288195 994652374 /nfs/dbraw/zinc/65/23/74/994652374.db2.gz DHOOYOQMFWPXQI-JTQLQIEISA-N -1 3 293.392 3.075 20 0 CGADHM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCC=C(c2ccco2)C1 ZINC001593689228 996131185 /nfs/dbraw/zinc/13/11/85/996131185.db2.gz CXPSWUUWWTXTDO-NSHDSACASA-N -1 3 287.315 3.421 20 0 CGADHM CC(C)c1[nH]c(CN2C[C@@H](C)CC[C@@H]2C)cc1C(=O)[O-] ZINC001594299708 999157773 /nfs/dbraw/zinc/15/77/73/999157773.db2.gz GJNSARYXDIBMQX-RYUDHWBXSA-N -1 3 278.396 3.457 20 0 CGADHM C[C@@H]1CCCCN1C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621263905 349485271 /nfs/dbraw/zinc/48/52/71/349485271.db2.gz KASIOBBHCGWAOR-SECBINFHSA-N -1 3 287.281 3.426 20 0 CGADHM [O-]c1cccc(CNCC[C@H]2CC2(F)F)c1Cl ZINC000621377316 349511943 /nfs/dbraw/zinc/51/19/43/349511943.db2.gz VWNKFWVCZLJDTC-VIFPVBQESA-N -1 3 261.699 3.181 20 0 CGADHM CS[C@@H](C)C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000337647499 214195367 /nfs/dbraw/zinc/19/53/67/214195367.db2.gz IGPPDTCEJWUYSM-VIFPVBQESA-N -1 3 267.394 3.380 20 0 CGADHM O=C(Nc1cccc([O-])c1F)[C@H]1C[C@@H]1C1CCCC1 ZINC000651602077 398257743 /nfs/dbraw/zinc/25/77/43/398257743.db2.gz BFMPAPFJZFRAOJ-MNOVXSKESA-N -1 3 263.312 3.296 20 0 CGADHM [O-]c1ccc(F)c(CN2CCC[C@H](C(F)(F)F)C2)c1F ZINC000294965028 199274474 /nfs/dbraw/zinc/27/44/74/199274474.db2.gz QYZGEFSPJBRHTB-QMMMGPOBSA-N -1 3 295.251 3.445 20 0 CGADHM CC(C)(C)CNC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621718309 349563005 /nfs/dbraw/zinc/56/30/05/349563005.db2.gz CURHQCCAQBJRBU-UHFFFAOYSA-N -1 3 275.270 3.187 20 0 CGADHM CCCC[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cccs1 ZINC000590072182 346825062 /nfs/dbraw/zinc/82/50/62/346825062.db2.gz LQXCGZBGHYPWAP-VXGBXAGGSA-N -1 3 287.450 3.385 20 0 CGADHM CC(C)[C@H]1CCN1C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622090686 349627587 /nfs/dbraw/zinc/62/75/87/349627587.db2.gz SPABLKQFRXPZOR-GFCCVEGCSA-N -1 3 287.281 3.282 20 0 CGADHM [O-]c1cc(CN2CCC[C@@H](F)C2)cc(C(F)(F)F)c1 ZINC000652076485 398324281 /nfs/dbraw/zinc/32/42/81/398324281.db2.gz HEKYLRXUZIXXRK-LLVKDONJSA-N -1 3 277.261 3.345 20 0 CGADHM Cc1nc2c(cccc2C(=O)Nc2c(C)cccc2[O-])o1 ZINC000350783485 219061901 /nfs/dbraw/zinc/06/19/01/219061901.db2.gz OXYIGCOWOOMDJU-UHFFFAOYSA-N -1 3 282.299 3.403 20 0 CGADHM CC[C@@H](C)c1cc(C(=O)[N-]c2ccnc3ccncc23)on1 ZINC000443654734 529429987 /nfs/dbraw/zinc/42/99/87/529429987.db2.gz JHRGCVPFYKPVEH-SNVBAGLBSA-N -1 3 296.330 3.384 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CC(Cc3ccsc3)C2)c1 ZINC000622258375 349664142 /nfs/dbraw/zinc/66/41/42/349664142.db2.gz UJUPSAKPXPYUJV-UHFFFAOYSA-N -1 3 287.384 3.077 20 0 CGADHM C[C@H](c1ccccc1)N(C)C(=O)Cc1ccc([O-])c(F)c1 ZINC000622286367 349667784 /nfs/dbraw/zinc/66/77/84/349667784.db2.gz BNPWUTDAFXVOGO-GFCCVEGCSA-N -1 3 287.334 3.293 20 0 CGADHM CCc1ccc([O-])c(C(=O)NCC2(C(C)C)CC2)c1 ZINC000622421982 349677316 /nfs/dbraw/zinc/67/73/16/349677316.db2.gz RLAZIJJFFUBRPY-UHFFFAOYSA-N -1 3 261.365 3.121 20 0 CGADHM Cc1ccc(C(=O)Nc2cnc(CC(C)C)nc2)c([O-])c1C ZINC000622570876 349687192 /nfs/dbraw/zinc/68/71/92/349687192.db2.gz WPIJKCYQOPGZFP-UHFFFAOYSA-N -1 3 299.374 3.250 20 0 CGADHM CCN=c1[n-]c(C(=O)Nc2ccc(C)c(CC)c2)cs1 ZINC000622492701 349683059 /nfs/dbraw/zinc/68/30/59/349683059.db2.gz AZKAOYYFQHZVAX-UHFFFAOYSA-N -1 3 289.404 3.120 20 0 CGADHM Cc1ccc(NC(=O)[C@@H]2CCC[C@@H](F)C2)c([O-])c1 ZINC000335517200 212203652 /nfs/dbraw/zinc/20/36/52/212203652.db2.gz YDXSHWSWSXTAIY-GHMZBOCLSA-N -1 3 251.301 3.167 20 0 CGADHM Cc1cc(F)ccc1C[C@@H](C)NC(=O)c1cccc([O-])c1 ZINC000622746679 349699389 /nfs/dbraw/zinc/69/93/89/349699389.db2.gz GROGAEWJWWIYLG-GFCCVEGCSA-N -1 3 287.334 3.201 20 0 CGADHM Cc1ccc(CC(C)(C)NC(=O)c2ccccc2[O-])cc1 ZINC000622720649 349696627 /nfs/dbraw/zinc/69/66/27/349696627.db2.gz HTNGXKQBEYHNED-UHFFFAOYSA-N -1 3 283.371 3.452 20 0 CGADHM CCc1ccc(C(=O)N(CC)C2CCCC2)c([O-])c1 ZINC000436729273 529593765 /nfs/dbraw/zinc/59/37/65/529593765.db2.gz RJNKAXZNLDVEJQ-UHFFFAOYSA-N -1 3 261.365 3.359 20 0 CGADHM CCc1ccc(C(=O)N2CC(C)(C)C[C@H]2C)c([O-])c1 ZINC000412763878 529594045 /nfs/dbraw/zinc/59/40/45/529594045.db2.gz GLROTYOSXQQEAN-LLVKDONJSA-N -1 3 261.365 3.215 20 0 CGADHM CCc1ccc(C(=O)N2[C@H](CC)CC[C@@H]2C)c([O-])c1 ZINC000436841526 529601621 /nfs/dbraw/zinc/60/16/21/529601621.db2.gz AZXOIXILKAMCKS-WCQYABFASA-N -1 3 261.365 3.358 20 0 CGADHM CC[C@@H](NC(=O)c1ccccc1[O-])c1nc2ccccc2[nH]1 ZINC000436746519 529674036 /nfs/dbraw/zinc/67/40/36/529674036.db2.gz HTQZHYAFMPUQGV-GFCCVEGCSA-N -1 3 295.342 3.150 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CC3(CCC3)[C@H]2C2CC2)c1 ZINC000427579179 529690421 /nfs/dbraw/zinc/69/04/21/529690421.db2.gz JQLHVMAICHZJKT-MRXNPFEDSA-N -1 3 285.387 3.359 20 0 CGADHM CCc1ccc(O)c(NC(=O)c2cc(CC)ccc2[O-])c1 ZINC000436840794 529693044 /nfs/dbraw/zinc/69/30/44/529693044.db2.gz RNYACHJDXHGAFE-UHFFFAOYSA-N -1 3 285.343 3.475 20 0 CGADHM c1ccc(-c2noc(-c3n[n-]nc3-c3ccccc3)n2)cc1 ZINC000351054301 219076551 /nfs/dbraw/zinc/07/65/51/219076551.db2.gz UDLPMEJMPJECML-UHFFFAOYSA-N -1 3 289.298 3.189 20 0 CGADHM CCC[C@@H](NC(=O)c1cc(C)ccc1[O-])c1ccccn1 ZINC000591673748 346932947 /nfs/dbraw/zinc/93/29/47/346932947.db2.gz XWRVJGGNMCAIRR-OAHLLOKOSA-N -1 3 284.359 3.367 20 0 CGADHM CSCCCCC(=O)N1CCCc2cccc([O-])c21 ZINC000352662464 136420110 /nfs/dbraw/zinc/42/01/10/136420110.db2.gz AGWGXLMJHJTAQU-UHFFFAOYSA-N -1 3 279.405 3.205 20 0 CGADHM CCCCS[C@H](C)C(=O)N=c1[nH][n-]c(C(C)C)c1C ZINC000592950371 347021571 /nfs/dbraw/zinc/02/15/71/347021571.db2.gz OEFDVEKXEVPRNO-LLVKDONJSA-N -1 3 283.441 3.124 20 0 CGADHM Cc1cccc([O-])c1C(=O)N(C)[C@@H](C)c1ccco1 ZINC000623922471 349916692 /nfs/dbraw/zinc/91/66/92/349916692.db2.gz AKXGVXWXXQAUFU-NSHDSACASA-N -1 3 259.305 3.127 20 0 CGADHM O=S(=O)([N-][C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1cccs1 ZINC000031075572 344924979 /nfs/dbraw/zinc/92/49/79/344924979.db2.gz IPALZGIAJPBQDT-YNEHKIRRSA-N -1 3 299.461 3.385 20 0 CGADHM O=C([O-])c1ccc(CN(Cc2ccccc2)C2CC2)o1 ZINC000035219074 344941728 /nfs/dbraw/zinc/94/17/28/344941728.db2.gz QTOBLLKURSDMPN-UHFFFAOYSA-N -1 3 271.316 3.142 20 0 CGADHM Cc1oc(CN2CC[C@H](c3ccccc3)C2)cc1C(=O)[O-] ZINC000050599781 345084195 /nfs/dbraw/zinc/08/41/95/345084195.db2.gz ODYNRIBZOIALIM-AWEZNQCLSA-N -1 3 285.343 3.276 20 0 CGADHM O=C(CCC(F)(F)F)Nc1ccc([O-])cc1Cl ZINC000088833888 345766013 /nfs/dbraw/zinc/76/60/13/345766013.db2.gz FUUOTXNGMMDPDE-UHFFFAOYSA-N -1 3 267.634 3.327 20 0 CGADHM CN(CCCCc1ccccc1)C(=O)c1c([O-])cccc1O ZINC000092117911 345831732 /nfs/dbraw/zinc/83/17/32/345831732.db2.gz QCVUVHQTHKJSDA-UHFFFAOYSA-N -1 3 299.370 3.193 20 0 CGADHM C[C@H](c1cccc(F)c1)N1CCC(CC(=O)[O-])CC1 ZINC000093682547 345884437 /nfs/dbraw/zinc/88/44/37/345884437.db2.gz RNCSUTWVVNRHHU-LLVKDONJSA-N -1 3 265.328 3.073 20 0 CGADHM Cc1ccc(CCC(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000132778718 346073790 /nfs/dbraw/zinc/07/37/90/346073790.db2.gz NTHVAYMJTNDPTH-UHFFFAOYSA-N -1 3 287.334 3.089 20 0 CGADHM CC(C)=C[C@H]1[C@H](C(=O)NCc2ccc([O-])c(F)c2)C1(C)C ZINC000133137695 346075982 /nfs/dbraw/zinc/07/59/82/346075982.db2.gz COPJXPQSUHUVSK-SWLSCSKDSA-N -1 3 291.366 3.386 20 0 CGADHM C[C@@H]1CCC[C@H](C)N(C(=O)c2c[n-]c3ccccc3c2=O)C1 ZINC000176612051 346250043 /nfs/dbraw/zinc/25/00/43/346250043.db2.gz ZHEYMGTXSVOTJQ-OLZOCXBDSA-N -1 3 298.386 3.179 20 0 CGADHM O=C([O-])[C@H](NCc1ccc(Cl)cc1)c1cccc(F)c1 ZINC000211535830 346286122 /nfs/dbraw/zinc/28/61/22/346286122.db2.gz TULFWOURAZRDGF-CQSZACIVSA-N -1 3 293.725 3.395 20 0 CGADHM C[C@@H]1CCCN(Cc2ccc(C(=O)[O-])c(F)c2)[C@@H]1C ZINC000235317742 346335364 /nfs/dbraw/zinc/33/53/64/346335364.db2.gz IFLGQILJWIPJKJ-GHMZBOCLSA-N -1 3 265.328 3.144 20 0 CGADHM CSC[C@@H](C)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000280544288 346417671 /nfs/dbraw/zinc/41/76/71/346417671.db2.gz ZNJATINWUTXUJT-SNVBAGLBSA-N -1 3 275.373 3.027 20 0 CGADHM Cc1ccc(CNCCC[C@@H](C)C(=O)[O-])c(Cl)c1 ZINC000310889834 346472032 /nfs/dbraw/zinc/47/20/32/346472032.db2.gz UDWLIFCPABANAE-LLVKDONJSA-N -1 3 269.772 3.239 20 0 CGADHM O=C([O-])[C@H]1CC12CCN(Cc1cc3ccccc3o1)CC2 ZINC000405409278 346603292 /nfs/dbraw/zinc/60/32/92/346603292.db2.gz VXWHTNIKAKDCHT-CQSZACIVSA-N -1 3 285.343 3.120 20 0 CGADHM CSCC1CCC(NC(=O)c2cccc(C)c2[O-])CC1 ZINC000385629002 346566480 /nfs/dbraw/zinc/56/64/80/346566480.db2.gz GGURNXSOHOKDDW-UHFFFAOYSA-N -1 3 293.432 3.352 20 0 CGADHM COc1cc(Cl)ccc1CN1CC[C@@H](C)C[C@H]1C(=O)[O-] ZINC000584844568 346718767 /nfs/dbraw/zinc/71/87/67/346718767.db2.gz FAXLCUZWNRZTTC-MFKMUULPSA-N -1 3 297.782 3.034 20 0 CGADHM C[C@@H](CC(=O)N1CC[C@H](C)c2cccc([O-])c21)n1ccnc1 ZINC000583208387 346679169 /nfs/dbraw/zinc/67/91/69/346679169.db2.gz ZNJYXTPYDMUDDY-STQMWFEESA-N -1 3 299.374 3.080 20 0 CGADHM C[C@H]1CCN(C(=O)CC[C@@H]2CCCO2)c2c([O-])cccc21 ZINC000274337007 136628499 /nfs/dbraw/zinc/62/84/99/136628499.db2.gz CLILJYUBTGDXTM-STQMWFEESA-N -1 3 289.375 3.192 20 0 CGADHM Cc1nnc([N-]c2cnc(N3CCCC[C@@H]3C)c(C)c2)o1 ZINC000286466779 136669494 /nfs/dbraw/zinc/66/94/94/136669494.db2.gz KPQXKBFCUKPGFD-NSHDSACASA-N -1 3 287.367 3.204 20 0 CGADHM CCO[C@@H]1C[C@@H](NCc2cccc([O-])c2Cl)C12CCC2 ZINC000339283569 215064491 /nfs/dbraw/zinc/06/44/91/215064491.db2.gz WORCOGXPYRZPOC-ZIAGYGMSSA-N -1 3 295.810 3.483 20 0 CGADHM Cc1c(F)cccc1NC(=O)c1cc(C(F)(F)F)n[n-]1 ZINC000339284672 215065120 /nfs/dbraw/zinc/06/51/20/215065120.db2.gz PXOYWBMNVQDIPY-UHFFFAOYSA-N -1 3 287.216 3.128 20 0 CGADHM Cc1c(F)cccc1NC(=O)c1cc(C(F)(F)F)[n-]n1 ZINC000339284672 215065124 /nfs/dbraw/zinc/06/51/24/215065124.db2.gz PXOYWBMNVQDIPY-UHFFFAOYSA-N -1 3 287.216 3.128 20 0 CGADHM CC[C@H](C)C(=O)N=c1cc(-c2cccc(Cl)c2)[n-][nH]1 ZINC000598897351 347698778 /nfs/dbraw/zinc/69/87/78/347698778.db2.gz OUNGMRAQQLVNKH-VIFPVBQESA-N -1 3 277.755 3.137 20 0 CGADHM Cc1ccc([O-])c(C(=O)NC[C@@H]2CCc3ccccc32)c1 ZINC000599731942 347769208 /nfs/dbraw/zinc/76/92/08/347769208.db2.gz JHJPHSGRWXRMQU-AWEZNQCLSA-N -1 3 281.355 3.160 20 0 CGADHM C[C@H]1c2ccc(F)cc2CCN1C(=O)c1ccccc1[O-] ZINC000606317969 348174334 /nfs/dbraw/zinc/17/43/34/348174334.db2.gz AWUMZQDLRNWVMK-NSHDSACASA-N -1 3 285.318 3.291 20 0 CGADHM Cc1ccc(C(=O)N[C@@H]2C[C@]2(C)c2ccccc2)c([O-])c1 ZINC000607598225 348252607 /nfs/dbraw/zinc/25/26/07/348252607.db2.gz NJCXABQXVKCSSO-SJLPKXTDSA-N -1 3 281.355 3.161 20 0 CGADHM CCn1cnc(C(=O)Nc2cc(C(C)(C)C)ccc2[O-])c1 ZINC000612755391 348543841 /nfs/dbraw/zinc/54/38/41/348543841.db2.gz DLBXPDVRALAKDY-UHFFFAOYSA-N -1 3 287.363 3.158 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])[C@H]1C[C@H]2C[C@H]2C1 ZINC000612754294 348544241 /nfs/dbraw/zinc/54/42/41/348544241.db2.gz HKXBKVWIDFCVAN-BRPSZJMVSA-N -1 3 251.713 3.030 20 0 CGADHM O=C(Cc1cc(C2CC2)no1)Nc1c([O-])cccc1Cl ZINC000615323119 348731791 /nfs/dbraw/zinc/73/17/91/348731791.db2.gz YCAODHAVMRUKFL-UHFFFAOYSA-N -1 3 292.722 3.092 20 0 CGADHM Cc1cccc(C(=O)NCc2ccc([C@@H]3C[C@H]3C)o2)c1[O-] ZINC000614752031 348692453 /nfs/dbraw/zinc/69/24/53/348692453.db2.gz GOGOQLUISVYLGE-BXUZGUMPSA-N -1 3 285.343 3.347 20 0 CGADHM O=C(C[C@H]1C=CCCC1)NCc1ccc([O-])c2ncccc12 ZINC000616023432 348782313 /nfs/dbraw/zinc/78/23/13/348782313.db2.gz RSMMGUGODJFEQW-ZDUSSCGKSA-N -1 3 296.370 3.303 20 0 CGADHM CC(C)C[C@@H](C)C(=O)NCc1ccc([O-])c2ncccc12 ZINC000616023721 348782544 /nfs/dbraw/zinc/78/25/44/348782544.db2.gz UYUXMPCNYVMPNK-GFCCVEGCSA-N -1 3 286.375 3.239 20 0 CGADHM CSc1ccc([O-])c(C(=O)N2C[C@H](C)[C@H](C)[C@H]2C)c1 ZINC000616343182 348811899 /nfs/dbraw/zinc/81/18/99/348811899.db2.gz BFVSTASCABTMLZ-GARJFASQSA-N -1 3 279.405 3.231 20 0 CGADHM CN(CCOc1ccc(F)cc1)Cc1cc([O-])cc(F)c1 ZINC000351989802 219279473 /nfs/dbraw/zinc/27/94/73/219279473.db2.gz WLYZNPJCDNEXKJ-UHFFFAOYSA-N -1 3 293.313 3.181 20 0 CGADHM CN(CCCOc1ccccc1)Cc1cc([O-])cc(F)c1 ZINC000351994658 219281186 /nfs/dbraw/zinc/28/11/86/219281186.db2.gz HLMUANBNHUEUNC-UHFFFAOYSA-N -1 3 289.350 3.432 20 0 CGADHM CC(C)(C(=O)Nc1ccc([O-])cc1Cl)C(F)F ZINC000616939489 348884894 /nfs/dbraw/zinc/88/48/94/348884894.db2.gz FBDRFRQNSKRDPF-UHFFFAOYSA-N -1 3 263.671 3.275 20 0 CGADHM CC(C)CCO[C@@H](C)C(=O)Nc1ccc([O-])cc1Cl ZINC000616942257 348885889 /nfs/dbraw/zinc/88/58/89/348885889.db2.gz WUZSIXIHVIXYAG-JTQLQIEISA-N -1 3 285.771 3.435 20 0 CGADHM Cc1ccc([O-])c(C(=O)N(CC2CC2)C2CCC2)c1 ZINC000358400634 233124637 /nfs/dbraw/zinc/12/46/37/233124637.db2.gz ZCOYTIAUEGHBBV-UHFFFAOYSA-N -1 3 259.349 3.105 20 0 CGADHM CCCC[C@@H](CC)CC(=O)Nc1cnc(C(=O)OCC)[n-]1 ZINC000617872423 349022390 /nfs/dbraw/zinc/02/23/90/349022390.db2.gz RQYFNGCYPADMNI-LLVKDONJSA-N -1 3 295.383 3.131 20 0 CGADHM CCCC[C@@H](CC)CC(=O)Nc1c[n-]c(C(=O)OCC)n1 ZINC000617872423 349022395 /nfs/dbraw/zinc/02/23/95/349022395.db2.gz RQYFNGCYPADMNI-LLVKDONJSA-N -1 3 295.383 3.131 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2cnc(C(C)C)s2)n1 ZINC000352026555 219291969 /nfs/dbraw/zinc/29/19/69/219291969.db2.gz KRBRJAZMSCOLIW-SNAWJCMRSA-N -1 3 261.350 3.241 20 0 CGADHM Cc1cccc(-c2n[nH]cc2C=Cc2nc(C)cc(=O)[n-]2)c1 ZINC000352026985 219293448 /nfs/dbraw/zinc/29/34/48/219293448.db2.gz MIDLJHFGGCTEFX-VOTSOKGWSA-N -1 3 292.342 3.360 20 0 CGADHM CC[C@@H](NC(=O)CCCc1ccc([O-])c(F)c1)C1CC1 ZINC000618871477 349171234 /nfs/dbraw/zinc/17/12/34/349171234.db2.gz LXFFYDGCIXXTJW-CQSZACIVSA-N -1 3 279.355 3.159 20 0 CGADHM COc1ccc2c(c1)N(C(=O)c1cc(C)ccc1[O-])CCC2 ZINC000619934476 349293052 /nfs/dbraw/zinc/29/30/52/349293052.db2.gz VYVCLOHBCJJDQB-UHFFFAOYSA-N -1 3 297.354 3.302 20 0 CGADHM COc1ccc([O-])c(C(=O)N[C@H](C)C2CCC(F)CC2)c1 ZINC000619961897 349298698 /nfs/dbraw/zinc/29/86/98/349298698.db2.gz HXPLEIDFCFFXLR-VOMCLLRMSA-N -1 3 295.354 3.047 20 0 CGADHM C[C@@H](CNC(=O)Cc1ccc([O-])c(F)c1)C1CCCCC1 ZINC000620366834 349361454 /nfs/dbraw/zinc/36/14/54/349361454.db2.gz KMCCOZGZYZWTFL-LBPRGKRZSA-N -1 3 293.382 3.406 20 0 CGADHM CCCCC[C@@H]1CCCCN1C(=O)c1csc(=O)[n-]1 ZINC000620564863 349383386 /nfs/dbraw/zinc/38/33/86/349383386.db2.gz GWUXSJKHEPHSRJ-LLVKDONJSA-N -1 3 282.409 3.424 20 0 CGADHM CC[C@@H]1CCC[C@H](C)N1C(=O)c1cc(C)ccc1[O-] ZINC000620575576 349387921 /nfs/dbraw/zinc/38/79/21/349387921.db2.gz BAVCROXEMFXYNX-QWHCGFSZSA-N -1 3 261.365 3.494 20 0 CGADHM C[C@@H]1CN(Cc2cc([O-])ccc2Cl)CC(C)(C)O1 ZINC000625102834 350128096 /nfs/dbraw/zinc/12/80/96/350128096.db2.gz KMWDFSVCEYCODD-SNVBAGLBSA-N -1 3 269.772 3.045 20 0 CGADHM CCN(CCC(F)(F)F)C(=O)c1c(C)cccc1[O-] ZINC000624948823 350116930 /nfs/dbraw/zinc/11/69/30/350116930.db2.gz OBYODPHOJVHMIU-UHFFFAOYSA-N -1 3 275.270 3.115 20 0 CGADHM COCCN(Cc1cc([O-])ccc1Cl)CC(F)(F)F ZINC000625162737 350135737 /nfs/dbraw/zinc/13/57/37/350135737.db2.gz AFHYGBTZWYRUQK-UHFFFAOYSA-N -1 3 297.704 3.056 20 0 CGADHM [O-]c1ccc(Cl)c(CN2CCC[C@@H]2[C@H]2CCCO2)c1 ZINC000625401860 350167721 /nfs/dbraw/zinc/16/77/21/350167721.db2.gz BZOOWZFFKCQQSA-HUUCEWRRSA-N -1 3 281.783 3.189 20 0 CGADHM Cc1cc(C(=O)Nc2nccn2-c2ccccc2)ccc1[O-] ZINC000352076708 219312486 /nfs/dbraw/zinc/31/24/86/219312486.db2.gz PIBGTKQQCSKNFE-UHFFFAOYSA-N -1 3 293.326 3.139 20 0 CGADHM CO[C@H]1CCN(Cc2cc([O-])ccc2Cl)[C@H](C)C1 ZINC000625392451 350168020 /nfs/dbraw/zinc/16/80/20/350168020.db2.gz FHORCWFGPMJDSN-MFKMUULPSA-N -1 3 269.772 3.045 20 0 CGADHM [O-]c1ccc(Cl)c(CN2CCC([C@@H]3CCCO3)CC2)c1 ZINC000625359516 350162777 /nfs/dbraw/zinc/16/27/77/350162777.db2.gz IFUAJNXGOAKNQT-INIZCTEOSA-N -1 3 295.810 3.437 20 0 CGADHM CC[C@H]1CCCN(C(=O)c2c(C)cccc2[O-])CC1 ZINC000625704479 350200596 /nfs/dbraw/zinc/20/05/96/350200596.db2.gz UGFMIYFMBPDHEC-ZDUSSCGKSA-N -1 3 261.365 3.353 20 0 CGADHM COC[C@](C)(NCc1cc([O-])ccc1Cl)C(F)(F)F ZINC000625561445 350184064 /nfs/dbraw/zinc/18/40/64/350184064.db2.gz BBXMPNHGNQARGC-NSHDSACASA-N -1 3 297.704 3.103 20 0 CGADHM C[C@H]1CC[C@H](C)N1C(=O)c1cc([O-])cc(Br)c1 ZINC000626077186 350256773 /nfs/dbraw/zinc/25/67/73/350256773.db2.gz FREIERYSPQFWMN-IUCAKERBSA-N -1 3 298.180 3.168 20 0 CGADHM Cc1cccc([O-])c1C(=O)N[C@H]1CCCC(F)(F)C1 ZINC000626187788 350280124 /nfs/dbraw/zinc/28/01/24/350280124.db2.gz VRMOKXDDLADUSA-JTQLQIEISA-N -1 3 269.291 3.008 20 0 CGADHM CCCc1cnc([N-]C(=O)c2ocnc2C(F)F)s1 ZINC000626373620 350299872 /nfs/dbraw/zinc/29/98/72/350299872.db2.gz DZENBZLHAGSOGU-UHFFFAOYSA-N -1 3 287.291 3.274 20 0 CGADHM Cc1ccc2c(c1)CCN(C(=O)c1c(C)cccc1[O-])C2 ZINC000626635164 350325340 /nfs/dbraw/zinc/32/53/40/350325340.db2.gz YNXASYQIPOJIAN-UHFFFAOYSA-N -1 3 281.355 3.208 20 0 CGADHM CCO[C@@H](C(=O)Nc1cc(Cl)cc(C)c1[O-])C(C)C ZINC000626281179 350291472 /nfs/dbraw/zinc/29/14/72/350291472.db2.gz LMLKWSLDUUDZOP-CYBMUJFWSA-N -1 3 285.771 3.354 20 0 CGADHM CCO[C@H](C(=O)Nc1cc(Cl)cc(C)c1[O-])C(C)C ZINC000626281180 350291504 /nfs/dbraw/zinc/29/15/04/350291504.db2.gz LMLKWSLDUUDZOP-ZDUSSCGKSA-N -1 3 285.771 3.354 20 0 CGADHM COc1ccc2c(c1)N(C(=O)c1c(C)cccc1[O-])CCC2 ZINC000628133485 350405673 /nfs/dbraw/zinc/40/56/73/350405673.db2.gz GLZBVHKCFHOSEZ-UHFFFAOYSA-N -1 3 297.354 3.302 20 0 CGADHM Cc1cccc([O-])c1C(=O)NCc1cnccc1C(C)(C)C ZINC000627748467 350380010 /nfs/dbraw/zinc/38/00/10/350380010.db2.gz YQFSYIDVABUMNT-UHFFFAOYSA-N -1 3 298.386 3.323 20 0 CGADHM CCc1cccc(C(=O)N2C[C@H](C)C(F)(F)[C@@H](C)C2)c1[O-] ZINC000628397177 350525710 /nfs/dbraw/zinc/52/57/10/350525710.db2.gz VYRGPGXTKLBZKW-QWRGUYRKSA-N -1 3 297.345 3.318 20 0 CGADHM CCC[C@H](C)CCCN1CCc2occc2[C@@H]1C(=O)[O-] ZINC000629366513 350679829 /nfs/dbraw/zinc/67/98/29/350679829.db2.gz PXDYDHROOMEAHS-SWLSCSKDSA-N -1 3 279.380 3.480 20 0 CGADHM C[C@@H](CN(C)Cc1ncccc1C(=O)[O-])C1CCCCC1 ZINC000629371548 350681475 /nfs/dbraw/zinc/68/14/75/350681475.db2.gz HYABPIBUTNOSBX-ZDUSSCGKSA-N -1 3 290.407 3.428 20 0 CGADHM Cc1cc(C(=O)N2CC[C@H](c3ccc(O)cc3)C2)ccc1[O-] ZINC000629664837 350733415 /nfs/dbraw/zinc/73/34/15/350733415.db2.gz SEWISTARCZBGEB-HNNXBMFYSA-N -1 3 297.354 3.036 20 0 CGADHM O=C([O-])[C@H]1CC[C@H](NCc2ccc(Cl)cc2F)CC1 ZINC000630475104 350846093 /nfs/dbraw/zinc/84/60/93/350846093.db2.gz CZNBFJSVSOFYQZ-OTCDBFHCSA-N -1 3 285.746 3.212 20 0 CGADHM CC(C)(C(=O)Nc1cc(F)ccc1[O-])[C@@H]1CCCCO1 ZINC000632139163 351171287 /nfs/dbraw/zinc/17/12/87/351171287.db2.gz NIANFEKDQSBXJJ-ZDUSSCGKSA-N -1 3 281.327 3.065 20 0 CGADHM Cc1nocc1C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000632886187 351227108 /nfs/dbraw/zinc/22/71/08/351227108.db2.gz NOIXBMXVUQOIEW-UHFFFAOYSA-N -1 3 274.320 3.238 20 0 CGADHM CC(=O)c1cccc(NC(=O)c2c(F)cccc2F)c1[O-] ZINC000336512426 213390118 /nfs/dbraw/zinc/39/01/18/213390118.db2.gz LMFSQBJFVADSBS-UHFFFAOYSA-N -1 3 291.253 3.125 20 0 CGADHM Cc1cc(C)c(COc2ccc3c([O-])coc3c2)c(C)n1 ZINC000634552348 351511366 /nfs/dbraw/zinc/51/13/66/351511366.db2.gz BOMAZFDRKLYTOC-UHFFFAOYSA-N -1 3 283.327 3.161 20 0 CGADHM CC[C@@H](CC(=O)[N-]OC/C=C/Cl)c1ccc(OC)cc1 ZINC000291442314 198022580 /nfs/dbraw/zinc/02/25/80/198022580.db2.gz BDCWRPLNXWJQAU-KFRNIWOLSA-N -1 3 297.782 3.379 20 0 CGADHM C[C@H]1CCc2[n-]n(Cc3ccc(C(F)(F)F)cc3)c(=O)c21 ZINC000634590513 351527998 /nfs/dbraw/zinc/52/79/98/351527998.db2.gz BKVNFSRRBDJGJP-ZANVPECISA-N -1 3 296.292 3.450 20 0 CGADHM CCc1[n-]n(CCc2ccccc2)c(=O)c1C(C)C ZINC000634592616 351529018 /nfs/dbraw/zinc/52/90/18/351529018.db2.gz OZPQFEOKOGMQKV-OAHLLOKOSA-N -1 3 258.365 3.110 20 0 CGADHM CCc1[n-]n(Cc2ccccc2F)c(=O)c1C(C)C ZINC000634607563 351540052 /nfs/dbraw/zinc/54/00/52/351540052.db2.gz BERYAEATCOFCGZ-AWEZNQCLSA-N -1 3 262.328 3.206 20 0 CGADHM CCCCC[C@@H](C)[N-]S(=O)(=O)c1sccc1OC ZINC000154643614 188155101 /nfs/dbraw/zinc/15/51/01/188155101.db2.gz ZFJSRVGHNIZNBA-SNVBAGLBSA-N -1 3 291.438 3.004 20 0 CGADHM CCC[C@H](C)[C@H]1CCCN1C(=O)c1cccc(OC)c1[O-] ZINC000156052675 188240796 /nfs/dbraw/zinc/24/07/96/188240796.db2.gz XAOLISZIDSGPDC-GXTWGEPZSA-N -1 3 291.391 3.442 20 0 CGADHM Cc1nn(C(C)(C)C)cc1C(=O)Nc1ccc([O-])cc1F ZINC000336389264 213245462 /nfs/dbraw/zinc/24/54/62/213245462.db2.gz CFADEKGTOKLPNP-UHFFFAOYSA-N -1 3 291.326 3.044 20 0 CGADHM COc1ccccc1[C@H](C)CC(=O)[N-]OC1CCCC1 ZINC000271827498 191351781 /nfs/dbraw/zinc/35/17/81/191351781.db2.gz WNDDIVGWHUEHKL-GFCCVEGCSA-N -1 3 277.364 3.179 20 0 CGADHM O=C([N-]OC1CCCC1)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000271851524 191369002 /nfs/dbraw/zinc/36/90/02/191369002.db2.gz ZYRFQAICCVKRTF-VXGBXAGGSA-N -1 3 281.302 3.059 20 0 CGADHM C[C@H]1C[C@@H](c2cccnc2)N(C(=O)c2ccccc2[O-])C1 ZINC000182227593 291093113 /nfs/dbraw/zinc/09/31/13/291093113.db2.gz AOFHKDKCRNMDSF-WFASDCNBSA-N -1 3 282.343 3.011 20 0 CGADHM CC(C)=CCC[C@H](C)NC(=O)NCc1ccc([O-])c(F)c1 ZINC000455266324 535367303 /nfs/dbraw/zinc/36/73/03/535367303.db2.gz FAAIQQVLMRIMRV-LBPRGKRZSA-N -1 3 294.370 3.465 20 0 CGADHM O=C(Cc1ccc(Cl)s1)Nc1cccc([O-])c1F ZINC000336249674 213082319 /nfs/dbraw/zinc/08/23/19/213082319.db2.gz FQMGLIROWLGDLR-UHFFFAOYSA-N -1 3 285.727 3.427 20 0 CGADHM Cc1ccc([C@H]([N-]C(=O)C(C)(F)F)c2ccccn2)cc1 ZINC000294374801 199015903 /nfs/dbraw/zinc/01/59/03/199015903.db2.gz UOJDDKUIVZACBS-AWEZNQCLSA-N -1 3 290.313 3.251 20 0 CGADHM Cc1cc(F)c(CNC2CCC(C(=O)[O-])CC2)c(F)c1 ZINC000424630053 236174520 /nfs/dbraw/zinc/17/45/20/236174520.db2.gz YVIRWAUIBUBOTL-UHFFFAOYSA-N -1 3 283.318 3.006 20 0 CGADHM CC(C)(C)NC(=O)CCc1ccc2ccccc2c1[O-] ZINC000294585430 199097317 /nfs/dbraw/zinc/09/73/17/199097317.db2.gz WLIBLRSVGWWFFN-UHFFFAOYSA-N -1 3 271.360 3.393 20 0 CGADHM COc1cc(C(=O)N2CC(C)(C)[C@@H]3CCC[C@H]32)ccc1[O-] ZINC000294693365 199137535 /nfs/dbraw/zinc/13/75/35/199137535.db2.gz JYFFACFNVWUCGH-CHWSQXEVSA-N -1 3 289.375 3.052 20 0 CGADHM COc1ccc([O-])c(C(=O)N2CC(C)(C)[C@@H]3CCC[C@@H]32)c1 ZINC000294718015 199149263 /nfs/dbraw/zinc/14/92/63/199149263.db2.gz KZULKEGUIVFQEI-KGLIPLIRSA-N -1 3 289.375 3.052 20 0 CGADHM Cn1cccc1[C@H]1CCCN1Cc1c(F)ccc([O-])c1F ZINC000294948544 199266029 /nfs/dbraw/zinc/26/60/29/199266029.db2.gz PYTBLBRQRSAMGP-CQSZACIVSA-N -1 3 292.329 3.346 20 0 CGADHM C[C@H]1OCC[C@@H]1c1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000436614498 237146163 /nfs/dbraw/zinc/14/61/63/237146163.db2.gz YHUTVOZTEUPISQ-MNOVXSKESA-N -1 3 296.326 3.488 20 0 CGADHM CN(C(=O)c1cc2c(cc1[O-])CCCC2)[C@H]1CC1(C)C ZINC000436816373 237185173 /nfs/dbraw/zinc/18/51/73/237185173.db2.gz SCBVEBPCCMFLQW-HNNXBMFYSA-N -1 3 273.376 3.142 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CC[C@]3(CC[C@@H](C)C3)C2)c1 ZINC000436705235 237161503 /nfs/dbraw/zinc/16/15/03/237161503.db2.gz OMCUFSOEGNCJAT-DYVFJYSZSA-N -1 3 273.376 3.353 20 0 CGADHM COc1ccc([C@H](C)CCNC(=O)c2ccccc2[O-])cc1 ZINC000436720086 237165005 /nfs/dbraw/zinc/16/50/05/237165005.db2.gz RNNDBFNRGUQIPD-CYBMUJFWSA-N -1 3 299.370 3.324 20 0 CGADHM Cc1ccc(C(=O)N2CC[C@@H](CC3CC3)C2)c([O-])c1C ZINC000436722348 237165598 /nfs/dbraw/zinc/16/55/98/237165598.db2.gz MOLSDHRFMFDTDB-AWEZNQCLSA-N -1 3 273.376 3.271 20 0 CGADHM COc1cccc([C@H](C)NC(=O)c2cc(C)ccc2[O-])c1 ZINC000436759241 237174369 /nfs/dbraw/zinc/17/43/69/237174369.db2.gz VHHVFZAFVDBFNL-LBPRGKRZSA-N -1 3 285.343 3.200 20 0 CGADHM Cc1cc(C(=O)Nc2c(C)cccc2[O-])nn1[C@H](C)C1CC1 ZINC000436952689 237220084 /nfs/dbraw/zinc/22/00/84/237220084.db2.gz XUNAWDBXNVUDHA-GFCCVEGCSA-N -1 3 299.374 3.429 20 0 CGADHM CO[C@@](C)(c1noc(-c2cccc(C)c2[O-])n1)C1CC1 ZINC000436954931 237221825 /nfs/dbraw/zinc/22/18/25/237221825.db2.gz IZGAOZDLVZNEFE-OAHLLOKOSA-N -1 3 274.320 3.022 20 0 CGADHM Cc1ccc(C(=O)N2CCc3cccc(C)c3C2)c([O-])c1 ZINC000436846981 237194408 /nfs/dbraw/zinc/19/44/08/237194408.db2.gz DBBQUKOQHWHHOW-UHFFFAOYSA-N -1 3 281.355 3.208 20 0 CGADHM O=C(N[C@H]1CCC[C@@H]1c1ccccc1)c1ccccc1[O-] ZINC000436843735 237194559 /nfs/dbraw/zinc/19/45/59/237194559.db2.gz JZYGSGKCCYHHFI-ZBFHGGJFSA-N -1 3 281.355 3.458 20 0 CGADHM O=C(c1ccccc1[O-])N1CCC[C@@H](c2ccccc2)C1 ZINC000436846960 237195139 /nfs/dbraw/zinc/19/51/39/237195139.db2.gz CXUHOSNVXMQSEI-OAHLLOKOSA-N -1 3 281.355 3.412 20 0 CGADHM Cc1cc(C(=O)N2[C@H](C)C[C@@H]3CCCC[C@@H]32)ccc1[O-] ZINC000436899471 237205332 /nfs/dbraw/zinc/20/53/32/237205332.db2.gz DGMDDZDEASXVGB-IPYPFGDCSA-N -1 3 273.376 3.494 20 0 CGADHM O=C(N[C@@H]1C[C@H]1c1cccc(Cl)c1)c1cccc([O-])c1 ZINC000437289667 237272482 /nfs/dbraw/zinc/27/24/82/237272482.db2.gz IPVVHBHJZYDEBV-LSDHHAIUSA-N -1 3 287.746 3.332 20 0 CGADHM Cc1cc(C(=O)[N-]c2cc(F)cc(F)c2F)ns1 ZINC000335962852 212758042 /nfs/dbraw/zinc/75/80/42/212758042.db2.gz XGXJXFFQHNCQFP-UHFFFAOYSA-N -1 3 272.251 3.121 20 0 CGADHM CCC[C@H]([N-]S(=O)(=O)c1ccc(C)o1)C(C)(C)C ZINC000451781249 240358252 /nfs/dbraw/zinc/35/82/52/240358252.db2.gz OUEXDNPMZPFXOS-NSHDSACASA-N -1 3 273.398 3.081 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)Nc1ccc(-c2ncco2)cc1 ZINC000297661160 200255719 /nfs/dbraw/zinc/25/57/19/200255719.db2.gz FHBYMDFJAWRNAD-LLVKDONJSA-N -1 3 289.335 3.441 20 0 CGADHM CCC1(CC)Oc2ccc(NC([O-])=NOC(C)C)cc2O1 ZINC000297628948 200246641 /nfs/dbraw/zinc/24/66/41/200246641.db2.gz BSOQGCCRWDCWRG-UHFFFAOYSA-N -1 3 294.351 3.436 20 0 CGADHM CCC1(CC)Oc2ccc(NC(=O)[N-]OC(C)C)cc2O1 ZINC000297628948 200246643 /nfs/dbraw/zinc/24/66/43/200246643.db2.gz BSOQGCCRWDCWRG-UHFFFAOYSA-N -1 3 294.351 3.436 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)Nc1ccc(C(F)(F)F)nc1 ZINC000297633577 200247086 /nfs/dbraw/zinc/24/70/86/200247086.db2.gz CPEGIKSPWLROPI-QMMMGPOBSA-N -1 3 291.273 3.200 20 0 CGADHM Cc1ccc(C(=O)N([C@H](C)C2CC2)C2CC2)c([O-])c1 ZINC000298332007 200397327 /nfs/dbraw/zinc/39/73/27/200397327.db2.gz ONJVNRLYBPPKMQ-LLVKDONJSA-N -1 3 259.349 3.104 20 0 CGADHM CCC(CC)N(CC(C)C)C(=O)c1ccc2n[n-]nc2c1 ZINC000178016800 189085728 /nfs/dbraw/zinc/08/57/28/189085728.db2.gz FGVIWVVAUXBOGQ-UHFFFAOYSA-N -1 3 288.395 3.245 20 0 CGADHM COc1ccc(Cl)cc1CN(C)CCCCC(=O)[O-] ZINC000181541272 189299983 /nfs/dbraw/zinc/29/99/83/189299983.db2.gz KNHWFJHYDYSVFP-UHFFFAOYSA-N -1 3 285.771 3.035 20 0 CGADHM CCc1cc(=O)[n-]c(CN[C@@H](C)c2cc(C)cc(C)c2)n1 ZINC000182889768 189338304 /nfs/dbraw/zinc/33/83/04/189338304.db2.gz YXLASBJHKPLYNO-ZDUSSCGKSA-N -1 3 285.391 3.212 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)N[C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000449954717 239712109 /nfs/dbraw/zinc/71/21/09/239712109.db2.gz WELOMXGGXBBPQR-HZSPNIEDSA-N -1 3 291.366 3.159 20 0 CGADHM O=C([N-][C@@H](c1cc(F)ccc1F)C(F)F)[C@@H]1CC1(F)F ZINC000451290426 240265134 /nfs/dbraw/zinc/26/51/34/240265134.db2.gz XINDLYAFCVIXLB-CBAPKCEASA-N -1 3 297.198 3.042 20 0 CGADHM Cc1csc(S(=O)(=O)[N-][C@H]2CC23CCCCC3)c1 ZINC000451363142 240281902 /nfs/dbraw/zinc/28/19/02/240281902.db2.gz AQHHXXVVDRHDPT-NSHDSACASA-N -1 3 285.434 3.058 20 0 CGADHM CO[C@@H]1C[C@H](NCc2cccc([O-])c2Cl)C12CCC2 ZINC000459732388 242196234 /nfs/dbraw/zinc/19/62/34/242196234.db2.gz FWYPFEDJLQYIDH-QWHCGFSZSA-N -1 3 281.783 3.093 20 0 CGADHM CCC(CC)(CC)[N-]S(=O)(=O)c1cc(C)ccc1F ZINC000462322718 242338083 /nfs/dbraw/zinc/33/80/83/242338083.db2.gz ZVQGHEUFAHUUML-UHFFFAOYSA-N -1 3 287.400 3.381 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)[C@@H]2[C@@H](C)C2(F)F)c1[O-] ZINC000461456026 242306721 /nfs/dbraw/zinc/30/67/21/242306721.db2.gz NAFBZVHMANAOME-MUWHJKNJSA-N -1 3 275.682 3.194 20 0 CGADHM CCc1cc(C(=O)N[C@@H](C)c2cccc(OC)c2)ccc1[O-] ZINC000485674367 243338241 /nfs/dbraw/zinc/33/82/41/243338241.db2.gz UZCSPLWPHITJPL-LBPRGKRZSA-N -1 3 299.370 3.454 20 0 CGADHM CCc1cc(C(=O)N(C)CCc2ccccc2)ccc1[O-] ZINC000485669708 243339580 /nfs/dbraw/zinc/33/95/80/243339580.db2.gz KQOZDTUEAUKATI-UHFFFAOYSA-N -1 3 283.371 3.269 20 0 CGADHM CCc1cc(C(=O)N2CCCC[C@@H](C)C2)ccc1[O-] ZINC000487101312 243398993 /nfs/dbraw/zinc/39/89/93/243398993.db2.gz PHKICJIMPSDEPZ-GFCCVEGCSA-N -1 3 261.365 3.217 20 0 CGADHM Cc1ncoc1C(=O)[N-]c1cc(Cl)cc(F)c1F ZINC000336405401 213263612 /nfs/dbraw/zinc/26/36/12/213263612.db2.gz ZYPJTPFZMREWFI-UHFFFAOYSA-N -1 3 272.638 3.167 20 0 CGADHM COc1cc(C(=O)N2CC[C@H](C)C3(CCC3)C2)ccc1[O-] ZINC000275999425 193184806 /nfs/dbraw/zinc/18/48/06/193184806.db2.gz ONZOLNGXJCQWAP-LBPRGKRZSA-N -1 3 289.375 3.053 20 0 CGADHM COc1ccc(C)cc1NC(=O)c1ccc(C)cc1[O-] ZINC000019838672 368769883 /nfs/dbraw/zinc/76/98/83/368769883.db2.gz OCGXQZQHYTUUBR-UHFFFAOYSA-N -1 3 271.316 3.270 20 0 CGADHM O=C(Nc1cccc2cccnc21)c1cccc([O-])c1 ZINC000019838113 368770510 /nfs/dbraw/zinc/77/05/10/368770510.db2.gz JAEMPTCCCRYNPD-UHFFFAOYSA-N -1 3 264.284 3.193 20 0 CGADHM Cc1ccc(C(=O)Nc2cc(F)ccc2C)c([O-])c1 ZINC000019839833 368771775 /nfs/dbraw/zinc/77/17/75/368771775.db2.gz QIJPUJRZSIYUFA-UHFFFAOYSA-N -1 3 259.280 3.400 20 0 CGADHM Cc1ccc([O-])c(C(=O)N(C)Cc2cccs2)c1 ZINC000031345309 368914517 /nfs/dbraw/zinc/91/45/17/368914517.db2.gz WKTAVUGPTOXNTE-UHFFFAOYSA-N -1 3 261.346 3.034 20 0 CGADHM O=C(NCc1ccc(Cl)s1)c1ccccc1[O-] ZINC000025521287 368847532 /nfs/dbraw/zinc/84/75/32/368847532.db2.gz LPQDNAICDFFFJP-UHFFFAOYSA-N -1 3 267.737 3.037 20 0 CGADHM CCC[C@@H](NCc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000036839287 369031770 /nfs/dbraw/zinc/03/17/70/369031770.db2.gz FJEQCGXINIHQLQ-LLVKDONJSA-N -1 3 276.163 3.336 20 0 CGADHM Cc1cc(NC(=O)/C=C\c2cncc([O-])c2)c(C)c(C)c1O ZINC000492701606 244010306 /nfs/dbraw/zinc/01/03/06/244010306.db2.gz DNRZSCPMFXLLFE-PLNGDYQASA-N -1 3 298.342 3.070 20 0 CGADHM O=C(/C=C\c1nc2ccccc2o1)[N-]OC1CCCCC1 ZINC000492717691 244011333 /nfs/dbraw/zinc/01/13/33/244011333.db2.gz IRAFBZKDFXCCFB-KHPPLWFESA-N -1 3 286.331 3.222 20 0 CGADHM CCN(Cc1ccccc1C)C(=O)c1ccc([O-])c(OC)c1 ZINC000276048032 193197559 /nfs/dbraw/zinc/19/75/59/193197559.db2.gz OIXUFWUSSUBTTI-UHFFFAOYSA-N -1 3 299.370 3.372 20 0 CGADHM O=C(/C=C\c1ccc(Br)cc1)[N-]OC1CCC1 ZINC000492984570 244067799 /nfs/dbraw/zinc/06/77/99/244067799.db2.gz KQIZUQVYYPHZGW-TWGQIWQCSA-N -1 3 296.164 3.063 20 0 CGADHM Cc1oc(CN(C)[C@H](C)C(C)(C)C)cc1C(=O)[O-] ZINC000042771089 369231335 /nfs/dbraw/zinc/23/13/35/369231335.db2.gz VSQAWBQAPRRAGP-SNVBAGLBSA-N -1 3 253.342 3.153 20 0 CGADHM Cc1ccc(CNC(=O)c2cc(C)ccc2[O-])s1 ZINC000045936038 369287286 /nfs/dbraw/zinc/28/72/86/369287286.db2.gz PRVAQBSWYKNCGC-UHFFFAOYSA-N -1 3 261.346 3.001 20 0 CGADHM CC(C)(C)C1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000050348896 369437710 /nfs/dbraw/zinc/43/77/10/369437710.db2.gz BSEYLIDJFRCJFM-UHFFFAOYSA-N -1 3 261.365 3.291 20 0 CGADHM COc1ccc([O-])c(C(=O)N2CCC[C@H]3CCCC[C@H]32)c1 ZINC000052076976 369462473 /nfs/dbraw/zinc/46/24/73/369462473.db2.gz PQRMYSARNAQDDB-IUODEOHRSA-N -1 3 289.375 3.196 20 0 CGADHM Cc1ccc(-c2noc([N-]Cc3ccccn3)n2)cc1 ZINC000057354053 369536131 /nfs/dbraw/zinc/53/61/31/369536131.db2.gz VIRGYERRIZSNGC-UHFFFAOYSA-N -1 3 266.304 3.052 20 0 CGADHM O=C(CCCOc1ccccc1F)Nc1ccccc1[O-] ZINC000059856829 369581972 /nfs/dbraw/zinc/58/19/72/369581972.db2.gz VHXIZLCGNSLXAC-UHFFFAOYSA-N -1 3 289.306 3.329 20 0 CGADHM O=C(CC[C@H]1CCCCO1)N1CCCc2cccc([O-])c21 ZINC000069397551 369759168 /nfs/dbraw/zinc/75/91/68/369759168.db2.gz NGMMQTOBOHNNEF-CQSZACIVSA-N -1 3 289.375 3.021 20 0 CGADHM O=C(Nc1ccccc1[O-])c1c[nH]nc1-c1ccccc1F ZINC000088281110 370032919 /nfs/dbraw/zinc/03/29/19/370032919.db2.gz RJDCOYPLMUJRMT-UHFFFAOYSA-N -1 3 297.289 3.174 20 0 CGADHM CC[C@H](C)[C@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000512031381 245016381 /nfs/dbraw/zinc/01/63/81/245016381.db2.gz PFKUZNRBMAQGLL-IUCAKERBSA-N -1 3 293.791 3.192 20 0 CGADHM O=C(c1ccccc1[O-])N1CCSC[C@H]1c1ccccc1 ZINC000115236811 370526692 /nfs/dbraw/zinc/52/66/92/370526692.db2.gz IKYGMOFLVBVRTP-HNNXBMFYSA-N -1 3 299.395 3.323 20 0 CGADHM Cc1ccc([O-])c(CN(C)Cc2ccc(F)c(F)c2)n1 ZINC000130452153 371035304 /nfs/dbraw/zinc/03/53/04/371035304.db2.gz KQBFAJNRQRCKBP-UHFFFAOYSA-N -1 3 278.302 3.006 20 0 CGADHM O=C(CCCc1ccc(F)c(F)c1)Nc1ccncc1[O-] ZINC000131992283 371144040 /nfs/dbraw/zinc/14/40/40/371144040.db2.gz YKAMPFJOHHDIQD-UHFFFAOYSA-N -1 3 292.285 3.027 20 0 CGADHM O=C(CCC1CCCC1)NCc1ccc([O-])c(F)c1 ZINC000132868280 371209082 /nfs/dbraw/zinc/20/90/82/371209082.db2.gz RCHNNDGIMCVEEF-UHFFFAOYSA-N -1 3 265.328 3.118 20 0 CGADHM Cc1cc(F)cc(C(=O)N2CCCc3cccc([O-])c32)c1 ZINC000135884607 371451584 /nfs/dbraw/zinc/45/15/84/371451584.db2.gz JZEZFKSQSTWKPO-UHFFFAOYSA-N -1 3 285.318 3.433 20 0 CGADHM CC(C)n1nccc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000153433542 371767841 /nfs/dbraw/zinc/76/78/41/371767841.db2.gz NMAFMUZUYMIORH-UHFFFAOYSA-N -1 3 279.727 3.075 20 0 CGADHM C[C@H]1C[C@@H]1CC(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000353344997 220036840 /nfs/dbraw/zinc/03/68/40/220036840.db2.gz JEXSCWQIBQTTPE-JGVFFNPUSA-N -1 3 273.254 3.396 20 0 CGADHM Cc1ccc(CN[C@@H](CC(=O)[O-])c2cccs2)s1 ZINC000037087768 541861487 /nfs/dbraw/zinc/86/14/87/541861487.db2.gz XRQVXPPTKABMCL-NSHDSACASA-N -1 3 281.402 3.424 20 0 CGADHM CCC[C@@H](C)[C@H]1CCCN1C(=O)c1cccc(OC)c1[O-] ZINC000156052556 371960790 /nfs/dbraw/zinc/96/07/90/371960790.db2.gz XAOLISZIDSGPDC-TZMCWYRMSA-N -1 3 291.391 3.442 20 0 CGADHM Cc1n[nH]c(C)c1[C@@H]1CCCN1Cc1cc([O-])cc(F)c1 ZINC000290593616 372024280 /nfs/dbraw/zinc/02/42/80/372024280.db2.gz VLIMZFDWPYDXGK-HNNXBMFYSA-N -1 3 289.354 3.208 20 0 CGADHM CC(C)Cn1ccnc1NCc1c(F)ccc([O-])c1F ZINC000290893011 372070352 /nfs/dbraw/zinc/07/03/52/372070352.db2.gz DDDMTHBFMICWMI-UHFFFAOYSA-N -1 3 281.306 3.135 20 0 CGADHM CO[C@@H](C)C(=O)[N-]c1onc(C2CCCCC2)c1C ZINC000291515209 372169475 /nfs/dbraw/zinc/16/94/75/372169475.db2.gz YCICFLRTYDYHCK-JTQLQIEISA-N -1 3 266.341 3.004 20 0 CGADHM CCc1cc(C(=O)Nc2cn(C)nc2C(C)C)ccc1[O-] ZINC000292811927 372216145 /nfs/dbraw/zinc/21/61/45/372216145.db2.gz IORCNJVPIKBVCV-UHFFFAOYSA-N -1 3 287.363 3.064 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)Nc1ccc2[nH]ccc2c1 ZINC000292842314 372223510 /nfs/dbraw/zinc/22/35/10/372223510.db2.gz FGQLVDBVHYYINV-JTQLQIEISA-N -1 3 261.325 3.267 20 0 CGADHM Cc1ccc([O-])c(CNc2ccc(C3CCC3)cn2)n1 ZINC000292942501 372255949 /nfs/dbraw/zinc/25/59/49/372255949.db2.gz HZSPFOXUPXNVMV-UHFFFAOYSA-N -1 3 269.348 3.370 20 0 CGADHM CN(C)c1ccccc1CNCc1c(F)ccc([O-])c1F ZINC000293765132 372473163 /nfs/dbraw/zinc/47/31/63/372473163.db2.gz ZJGLHKRMUAKDHG-UHFFFAOYSA-N -1 3 292.329 3.026 20 0 CGADHM [O-]c1ccc(F)c(CN[C@@H]2[C@H]3Cc4ccccc4[C@@H]23)c1F ZINC000293776793 372478394 /nfs/dbraw/zinc/47/83/94/372478394.db2.gz BNRQURQVNVCKPM-UXEPBGEESA-N -1 3 287.309 3.098 20 0 CGADHM COc1ccc(C(=O)N2CC3(CCC3)[C@@H]2C(C)C)c([O-])c1 ZINC000293796965 372485475 /nfs/dbraw/zinc/48/54/75/372485475.db2.gz PAEAVVSNBXBUPN-HNNXBMFYSA-N -1 3 289.375 3.052 20 0 CGADHM COc1cc(C(=O)NC(C)(C)c2ccccc2C)ccc1[O-] ZINC000293812457 372490004 /nfs/dbraw/zinc/49/00/04/372490004.db2.gz CFMRRFPNWZADCP-UHFFFAOYSA-N -1 3 299.370 3.374 20 0 CGADHM Cc1cc(C)c2[n-]cc(C(=O)N3CC[C@@H](C)[C@@H]3C)c(=O)c2c1 ZINC000164472834 372519776 /nfs/dbraw/zinc/51/97/76/372519776.db2.gz XIFISAIUTLOGJJ-YPMHNXCESA-N -1 3 298.386 3.428 20 0 CGADHM CC(C)CN(CC(=O)[O-])Cc1cccc(Cl)c1F ZINC000167040841 372586521 /nfs/dbraw/zinc/58/65/21/372586521.db2.gz PTHPZBZGQDPBOI-UHFFFAOYSA-N -1 3 273.735 3.022 20 0 CGADHM Cc1ccc(NC(=O)C2(C(F)(F)F)CCC2)c([O-])c1 ZINC000294310024 372646124 /nfs/dbraw/zinc/64/61/24/372646124.db2.gz JDNRKMOCNDUFGE-UHFFFAOYSA-N -1 3 273.254 3.372 20 0 CGADHM COc1cc(C(=O)N(C)Cc2cc(C)cc(C)c2)ccc1[O-] ZINC000434341011 372668929 /nfs/dbraw/zinc/66/89/29/372668929.db2.gz JPFWSYMLVNQBFL-UHFFFAOYSA-N -1 3 299.370 3.290 20 0 CGADHM O=[S@@](Cc1nc2ccccc2s1)c1ccc([O-])cc1 ZINC000170973503 372694406 /nfs/dbraw/zinc/69/44/06/372694406.db2.gz ZXSLKRPEJJHDHX-IBGZPJMESA-N -1 3 289.381 3.310 20 0 CGADHM Cc1cccc(C(=O)Nc2cccc3[nH]ccc32)c1[O-] ZINC000171274384 372733670 /nfs/dbraw/zinc/73/36/70/372733670.db2.gz JNEXJBDOWFJBSX-UHFFFAOYSA-N -1 3 266.300 3.434 20 0 CGADHM Cc1ccc(-c2cc(-c3nc(-c4ccccn4)no3)n[n-]2)o1 ZINC000171788192 372826804 /nfs/dbraw/zinc/82/68/04/372826804.db2.gz IQLAPDWLCKISLB-UHFFFAOYSA-N -1 3 293.286 3.090 20 0 CGADHM Cc1ccc(-c2cc(-c3nc(-c4ccccn4)no3)[n-]n2)o1 ZINC000171788192 372826812 /nfs/dbraw/zinc/82/68/12/372826812.db2.gz IQLAPDWLCKISLB-UHFFFAOYSA-N -1 3 293.286 3.090 20 0 CGADHM CCO[N-]C(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000171710558 372814971 /nfs/dbraw/zinc/81/49/71/372814971.db2.gz XMASWTAAWZSKOC-GJZGRUSLSA-N -1 3 255.317 3.011 20 0 CGADHM C[C@@H]1C[C@@H](C)N(C(=O)c2ccc3c(c2[O-])CCCC3)C1 ZINC000436969397 372842790 /nfs/dbraw/zinc/84/27/90/372842790.db2.gz IJRXJTBFTLAOMO-VXGBXAGGSA-N -1 3 273.376 3.142 20 0 CGADHM CC(C)O[N-]C(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000295773696 372906047 /nfs/dbraw/zinc/90/60/47/372906047.db2.gz XDIPEDPBSKORMI-HZPDHXFCSA-N -1 3 269.344 3.400 20 0 CGADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@@H](C)C1CC1 ZINC000296122341 373030297 /nfs/dbraw/zinc/03/02/97/373030297.db2.gz QQMNGRDUYUISOX-ZETCQYMHSA-N -1 3 298.180 3.448 20 0 CGADHM CC[C@@H](C)N(CC(=O)[O-])Cc1ccc(OC)cc1Cl ZINC000442762238 373072471 /nfs/dbraw/zinc/07/24/71/373072471.db2.gz GVOJGIQMEDQHCC-SNVBAGLBSA-N -1 3 285.771 3.034 20 0 CGADHM CCN(C(=O)c1ccc([O-])c(OC)c1)[C@@H]1CCCC[C@@H]1C ZINC000442967712 373135884 /nfs/dbraw/zinc/13/58/84/373135884.db2.gz PVLLJKVHLQWJST-GXTWGEPZSA-N -1 3 291.391 3.442 20 0 CGADHM CC(C)OCc1ccc(NC([O-])=NOC(C)C)cc1 ZINC000296469183 373145775 /nfs/dbraw/zinc/14/57/75/373145775.db2.gz MPVVGASHCZJVMZ-UHFFFAOYSA-N -1 3 266.341 3.073 20 0 CGADHM CC(C)OCc1ccc(NC(=O)[N-]OC(C)C)cc1 ZINC000296469183 373145784 /nfs/dbraw/zinc/14/57/84/373145784.db2.gz MPVVGASHCZJVMZ-UHFFFAOYSA-N -1 3 266.341 3.073 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)Nc1cc(F)c(OC)cc1C ZINC000296599783 373191024 /nfs/dbraw/zinc/19/10/24/373191024.db2.gz HDZYVSVLKGILJM-SECBINFHSA-N -1 3 284.331 3.242 20 0 CGADHM CCc1cc(=O)[n-]c(CN(C)[C@H]2CCCC[C@@H]2CC)n1 ZINC000444663439 373225032 /nfs/dbraw/zinc/22/50/32/373225032.db2.gz OSOWAJIEBKRQFN-JSGCOSHPSA-N -1 3 277.412 3.145 20 0 CGADHM Cc1ccc([O-])c(-c2nc(C3CC(F)(F)C3)no2)c1 ZINC000296618103 373196733 /nfs/dbraw/zinc/19/67/33/373196733.db2.gz YYBYTDMPDIFUGX-UHFFFAOYSA-N -1 3 266.247 3.263 20 0 CGADHM CC/C(C)=C/C(=O)NCc1ccc([O-])c(Br)c1 ZINC000296628335 373199574 /nfs/dbraw/zinc/19/95/74/373199574.db2.gz VMUWIQXFLIAASH-RMKNXTFCSA-N -1 3 298.180 3.127 20 0 CGADHM CCC[C@@H]1[C@H](C)CCCN1C(=O)c1ccc(OC)cc1[O-] ZINC000175290167 373446081 /nfs/dbraw/zinc/44/60/81/373446081.db2.gz CBXHMMMZDSBDLM-IUODEOHRSA-N -1 3 291.391 3.442 20 0 CGADHM Cc1ccc([O-])c(NC(=O)C/C=C\c2cccc(F)c2)n1 ZINC000447636298 373468324 /nfs/dbraw/zinc/46/83/24/373468324.db2.gz HOYAMGUKSJIGPI-HYXAFXHYSA-N -1 3 286.306 3.277 20 0 CGADHM COc1cc(-c2nc3ccc(C)nc3[nH]2)cc(Cl)c1[O-] ZINC000178979205 373822999 /nfs/dbraw/zinc/82/29/99/373822999.db2.gz NOTIKUHSVMAUOC-UHFFFAOYSA-N -1 3 289.722 3.301 20 0 CGADHM CC(C)[C@@H]1C[C@H](CNCc2c(F)ccc([O-])c2F)CCO1 ZINC000449495023 373789628 /nfs/dbraw/zinc/78/96/28/373789628.db2.gz NUGSYMPLJYRCSQ-ABAIWWIYSA-N -1 3 299.361 3.211 20 0 CGADHM CCC(=O)Nc1cccc(C(=O)Nc2c(C)cccc2[O-])c1 ZINC000179550665 373886093 /nfs/dbraw/zinc/88/60/93/373886093.db2.gz STPYGEZRBVPUFA-UHFFFAOYSA-N -1 3 298.342 3.301 20 0 CGADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H]3CC[C@@H](C)C3)nc2)n1 ZINC000302518565 373886982 /nfs/dbraw/zinc/88/69/82/373886982.db2.gz HXALOJCUWGYTLY-RISCZKNCSA-N -1 3 298.390 3.407 20 0 CGADHM Cc1cccc(OCCC(=O)Nc2cc(F)ccc2[O-])c1 ZINC000179648593 373898889 /nfs/dbraw/zinc/89/88/89/373898889.db2.gz HQOFUVSKUZIZER-UHFFFAOYSA-N -1 3 289.306 3.247 20 0 CGADHM Cc1cccc(C(=O)Nc2ccc(C)c(O)c2C)c1[O-] ZINC000179824447 373923194 /nfs/dbraw/zinc/92/31/94/373923194.db2.gz VRJNWBNKCXBTCE-UHFFFAOYSA-N -1 3 271.316 3.275 20 0 CGADHM Cc1cccc(C(=O)Nc2ccc(-n3cccn3)cc2)c1[O-] ZINC000302961808 374008137 /nfs/dbraw/zinc/00/81/37/374008137.db2.gz PALDSECKJDQCEQ-UHFFFAOYSA-N -1 3 293.326 3.139 20 0 CGADHM CC[C@H](CC(F)(F)F)C(=O)NCc1ccc([O-])c(F)c1 ZINC000449910275 373968099 /nfs/dbraw/zinc/96/80/99/373968099.db2.gz DIABYYKPPCZBJK-SECBINFHSA-N -1 3 293.260 3.126 20 0 CGADHM C[C@@H]1CC[C@H](C(=O)NCc2ccc([O-])c(F)c2)C[C@@H]1C ZINC000449911637 373968313 /nfs/dbraw/zinc/96/83/13/373968313.db2.gz ITYQEELCFFEZTB-MDZLAQPJSA-N -1 3 279.355 3.220 20 0 CGADHM CCSCC[C@H](C)N=c1[n-]c(C(C)=O)c(C)s1 ZINC000450360242 374080313 /nfs/dbraw/zinc/08/03/13/374080313.db2.gz KFCKYCVREIKIFT-QMMMGPOBSA-N -1 3 272.439 3.020 20 0 CGADHM CC[C@@H](O)CC(=O)Nc1cc(Cc2ccccc2)ccc1[O-] ZINC000450415108 374112938 /nfs/dbraw/zinc/11/29/38/374112938.db2.gz AVCDKAKRYVEIJN-OAHLLOKOSA-N -1 3 299.370 3.083 20 0 CGADHM CCc1nn(C)cc1[N-]c1nc2cc(C)cc(C)c2o1 ZINC000450425854 374119110 /nfs/dbraw/zinc/11/91/10/374119110.db2.gz VCBZHDDPWQITOS-UHFFFAOYSA-N -1 3 270.336 3.484 20 0 CGADHM CCc1ccc(C[N-]c2nnc(-c3ccco3)o2)o1 ZINC000181488141 374130351 /nfs/dbraw/zinc/13/03/51/374130351.db2.gz QCUSZEQDVXJSIX-UHFFFAOYSA-N -1 3 259.265 3.097 20 0 CGADHM Cc1cccc(S(=O)(=O)[N-][C@H](C)c2ccccc2)c1F ZINC000181169472 374088298 /nfs/dbraw/zinc/08/82/98/374088298.db2.gz VDQMGBGQXJSHJK-GFCCVEGCSA-N -1 3 293.363 3.174 20 0 CGADHM CC(C)(CCNC(=O)Cc1ccc([O-])c(F)c1)C1CC1 ZINC000452156570 374254777 /nfs/dbraw/zinc/25/47/77/374254777.db2.gz LSEYNODDSRXQGY-UHFFFAOYSA-N -1 3 279.355 3.016 20 0 CGADHM CC(C)c1ccc(C(=O)N2CCC[C@@](C)(F)C2)c([O-])c1 ZINC000452197383 374273211 /nfs/dbraw/zinc/27/32/11/374273211.db2.gz SMAUNFNTMNBDRC-MRXNPFEDSA-N -1 3 279.355 3.480 20 0 CGADHM O=C(c1cccc([O-])c1)N(CC1CC1)c1ccccc1 ZINC000182579098 374292243 /nfs/dbraw/zinc/29/22/43/374292243.db2.gz DVIAKDVZKTYVCR-UHFFFAOYSA-N -1 3 267.328 3.449 20 0 CGADHM Cc1cccc(S(=O)(=O)[N-]C2CCCCCC2)c1F ZINC000313205792 374298878 /nfs/dbraw/zinc/29/88/78/374298878.db2.gz FAGZHXLHYNYFGH-UHFFFAOYSA-N -1 3 285.384 3.135 20 0 CGADHM CC(C)(C)c1ccc(NC(=O)CC2CCOCC2)c([O-])c1 ZINC000330399245 374459249 /nfs/dbraw/zinc/45/92/49/374459249.db2.gz ILNUUCURNZVOGD-UHFFFAOYSA-N -1 3 291.391 3.445 20 0 CGADHM O=[S@](CCCOc1ccc(F)cc1)c1cccc([O-])c1 ZINC000184057526 374487589 /nfs/dbraw/zinc/48/75/89/374487589.db2.gz BXGQPLMSMPESLH-HXUWFJFHSA-N -1 3 294.347 3.108 20 0 CGADHM Cc1[nH]nc(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])c1C ZINC000331243241 374516224 /nfs/dbraw/zinc/51/62/24/374516224.db2.gz RGYVHXMKGIQDIP-UHFFFAOYSA-N -1 3 287.363 3.282 20 0 CGADHM CC[C@@H]1CCCN(C(=O)c2ccc(C(C)=O)c([O-])c2)CC1 ZINC000332235711 374562596 /nfs/dbraw/zinc/56/25/96/374562596.db2.gz RADVVVAWPFRABQ-CYBMUJFWSA-N -1 3 289.375 3.247 20 0 CGADHM Cc1cccc(C(=O)N[C@H]2CCO[C@@H](CC(C)C)C2)c1[O-] ZINC000334087264 374647406 /nfs/dbraw/zinc/64/74/06/374647406.db2.gz MUBPMHPCJHFIDU-KBPBESRZSA-N -1 3 291.391 3.024 20 0 CGADHM O=C(N[C@@H]1CCC[C@@H]2C[C@@H]21)c1cc([O-])ccc1C(F)(F)F ZINC000458307914 374757854 /nfs/dbraw/zinc/75/78/54/374757854.db2.gz UVCBBKBRHMOZSD-DFAYQTQMSA-N -1 3 299.292 3.329 20 0 CGADHM CN(Cc1ccc(F)c(F)c1)Cc1cc([O-])cc(F)c1 ZINC000186179589 374810227 /nfs/dbraw/zinc/81/02/27/374810227.db2.gz QUIDYBOFURGKAY-UHFFFAOYSA-N -1 3 281.277 3.442 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)[C@@H]2CCC(=O)[C@H](C)C2)c1[O-] ZINC000334537282 374833035 /nfs/dbraw/zinc/83/30/35/374833035.db2.gz ITPMRDJOCWTQBB-PSASIEDQSA-N -1 3 295.766 3.298 20 0 CGADHM CO[C@@H](C)CCC(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000186298084 374828203 /nfs/dbraw/zinc/82/82/03/374828203.db2.gz BWWSGISTQNBTIY-RYUDHWBXSA-N -1 3 277.364 3.048 20 0 CGADHM CCN(CC(C)(C)C)C(=O)NCc1ccc([O-])c(F)c1 ZINC000464267412 374872645 /nfs/dbraw/zinc/87/26/45/374872645.db2.gz PVXNRYMECRBBPZ-UHFFFAOYSA-N -1 3 282.359 3.109 20 0 CGADHM Cc1cc(F)ccc1C[S@@](=O)c1ccc([O-])cc1 ZINC000187067278 374965970 /nfs/dbraw/zinc/96/59/70/374965970.db2.gz ISMVXURKWJJGML-GOSISDBHSA-N -1 3 264.321 3.148 20 0 CGADHM C[C@@H](c1cc(F)ccc1F)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000263329033 296225321 /nfs/dbraw/zinc/22/53/21/296225321.db2.gz LDQOEACTNDEASJ-VWYCJHECSA-N -1 3 283.318 3.068 20 0 CGADHM C[C@@]1(C(=O)Nc2ccc(Cl)cc2[O-])CC1(F)F ZINC000335018978 375074167 /nfs/dbraw/zinc/07/41/67/375074167.db2.gz YNNYUHUAPMMXTP-JTQLQIEISA-N -1 3 261.655 3.029 20 0 CGADHM Cc1cccc([O-])c1NC(=O)[C@H](C)OCc1ccccc1 ZINC000187728142 375081275 /nfs/dbraw/zinc/08/12/75/375081275.db2.gz WXPXEIXZCWQLMV-ZDUSSCGKSA-N -1 3 285.343 3.244 20 0 CGADHM CC(C)[C@H](CC1CCCC1)C(=O)NCc1ncccc1[O-] ZINC000473630811 375056117 /nfs/dbraw/zinc/05/61/17/375056117.db2.gz UCVJVHAQIZCXQQ-AWEZNQCLSA-N -1 3 290.407 3.256 20 0 CGADHM CCC(C)(C)c1ccc(C(=O)NCc2ncccc2[O-])cc1 ZINC000473630456 375056412 /nfs/dbraw/zinc/05/64/12/375056412.db2.gz RRNQNYOVJPRWCO-UHFFFAOYSA-N -1 3 298.386 3.405 20 0 CGADHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2CC2(C)C)sc1Cl ZINC000473850832 375063665 /nfs/dbraw/zinc/06/36/65/375063665.db2.gz PSPFQLARKBLMOJ-QMMMGPOBSA-N -1 3 293.841 3.034 20 0 CGADHM C[C@H](CC(=O)N1CC[C@@H](C)c2cccc([O-])c21)n1cccn1 ZINC000335107402 375136348 /nfs/dbraw/zinc/13/63/48/375136348.db2.gz DWIBNMGNYFHISP-CHWSQXEVSA-N -1 3 299.374 3.080 20 0 CGADHM CCc1cc(C(=O)NC[C@H]2CCC[C@H]2C)ccc1[O-] ZINC000487525383 375246416 /nfs/dbraw/zinc/24/64/16/375246416.db2.gz KMUSGTDREBWFFD-BXUZGUMPSA-N -1 3 261.365 3.121 20 0 CGADHM CC(C)n1cc(C(=O)Nc2ccc(Cl)cc2[O-])cn1 ZINC000188647870 375246484 /nfs/dbraw/zinc/24/64/84/375246484.db2.gz MEOUGAVKJXUJBY-UHFFFAOYSA-N -1 3 279.727 3.075 20 0 CGADHM CCc1cc(C(=O)NC[C@H]2CCC[C@@H]2C)ccc1[O-] ZINC000487525392 375246659 /nfs/dbraw/zinc/24/66/59/375246659.db2.gz KMUSGTDREBWFFD-SMDDNHRTSA-N -1 3 261.365 3.121 20 0 CGADHM O=C(Nc1cccc([O-])c1F)c1ccoc1C(F)(F)F ZINC000335186259 375208049 /nfs/dbraw/zinc/20/80/49/375208049.db2.gz OJWDAFBXDWYPOL-UHFFFAOYSA-N -1 3 289.184 3.395 20 0 CGADHM CCc1cc(C(=O)N2C[C@H](C)C[C@H](C)[C@H]2C)ccc1[O-] ZINC000487306472 375224421 /nfs/dbraw/zinc/22/44/21/375224421.db2.gz FFOBYJYUEIWKIT-FRRDWIJNSA-N -1 3 275.392 3.461 20 0 CGADHM C[C@@H]1CCC[C@H](NC(=O)c2c[n-]c3ccccc3c2=O)CC1 ZINC000188918102 375291439 /nfs/dbraw/zinc/29/14/39/375291439.db2.gz QASKVGFQWFTVIF-OLZOCXBDSA-N -1 3 298.386 3.227 20 0 CGADHM C[C@@H]([C@H](C)[N-]S(=O)(=O)c1ccco1)C1CCCCC1 ZINC000188744552 375262840 /nfs/dbraw/zinc/26/28/40/375262840.db2.gz VPBIEFHJXLQRIB-RYUDHWBXSA-N -1 3 285.409 3.163 20 0 CGADHM CC(C)CO[N-]C(=O)/C=C\c1nc2ccccc2s1 ZINC000492182338 375438652 /nfs/dbraw/zinc/43/86/52/375438652.db2.gz BBYFPMKUJQVRGS-FPLPWBNLSA-N -1 3 276.361 3.013 20 0 CGADHM Cc1ncoc1C(=O)[N-]c1c(F)cccc1Br ZINC000335813829 375451403 /nfs/dbraw/zinc/45/14/03/375451403.db2.gz MQRUUSQFQNURIR-UHFFFAOYSA-N -1 3 299.099 3.137 20 0 CGADHM Cc1nc(C)c(NC(=O)c2ccc([O-])c(C)c2)s1 ZINC000335968290 375579965 /nfs/dbraw/zinc/57/99/65/375579965.db2.gz OENJJQTVYXGKSB-UHFFFAOYSA-N -1 3 262.334 3.026 20 0 CGADHM Cc1ccc([O-])c(C(=O)NCc2c(F)cccc2Cl)c1 ZINC000498299297 375623882 /nfs/dbraw/zinc/62/38/82/375623882.db2.gz NVEGSPKZQJTDCE-UHFFFAOYSA-N -1 3 293.725 3.423 20 0 CGADHM C[C@H]1CCN(C(=O)c2cc([O-])ccc2Cl)CC1(F)F ZINC000507119356 375674375 /nfs/dbraw/zinc/67/43/75/375674375.db2.gz WXDHALMCUOCUDA-QMMMGPOBSA-N -1 3 289.709 3.163 20 0 CGADHM CC(C)(C)c1nnc([N-]C(=O)c2ccoc2Cl)s1 ZINC000192288378 375726599 /nfs/dbraw/zinc/72/65/99/375726599.db2.gz HXRIJCOKUAPIPI-UHFFFAOYSA-N -1 3 285.756 3.334 20 0 CGADHM COc1cc(Cl)c(C)cc1NC(=O)[N-]c1cnns1 ZINC000192343513 375734387 /nfs/dbraw/zinc/73/43/87/375734387.db2.gz HPXIMWZUTFDUOP-UHFFFAOYSA-N -1 3 298.755 3.153 20 0 CGADHM CC(C)OCc1cccc(NC(=O)[N-]c2cnns2)c1 ZINC000192356921 375737534 /nfs/dbraw/zinc/73/75/34/375737534.db2.gz GYNNKGYEUVDALI-UHFFFAOYSA-N -1 3 292.364 3.107 20 0 CGADHM C[C@H]1COCC[C@H]1C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000336161952 375737809 /nfs/dbraw/zinc/73/78/09/375737809.db2.gz UOJBFXFUPOAGQY-WCQYABFASA-N -1 3 291.391 3.301 20 0 CGADHM C[C@H]1COCC[C@@H]1C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000336161950 375738235 /nfs/dbraw/zinc/73/82/35/375738235.db2.gz UOJBFXFUPOAGQY-AAEUAGOBSA-N -1 3 291.391 3.301 20 0 CGADHM CCN(Cc1cccs1)[C@@H](C)c1nc(C)cc(=O)[n-]1 ZINC000192525639 375760775 /nfs/dbraw/zinc/76/07/75/375760775.db2.gz DGECCZJZCJTIBY-NSHDSACASA-N -1 3 277.393 3.135 20 0 CGADHM O=C(N[C@H]1C[C@H]1C1CCCCC1)c1cccc([O-])c1 ZINC000509119660 375771630 /nfs/dbraw/zinc/77/16/30/375771630.db2.gz BHMATFQQONNSMC-GJZGRUSLSA-N -1 3 259.349 3.091 20 0 CGADHM COc1cccc([C@@H]2CCCN2C(=O)c2cccc([O-])c2)c1 ZINC000193036368 375819071 /nfs/dbraw/zinc/81/90/71/375819071.db2.gz CABMFSUJRGORTK-KRWDZBQOSA-N -1 3 297.354 3.378 20 0 CGADHM C[C@H](c1nc(-c2ccc([O-])cc2)no1)C(F)(F)F ZINC000336570141 375840189 /nfs/dbraw/zinc/84/01/89/375840189.db2.gz PRIRPKMPHHTJHV-ZCFIWIBFSA-N -1 3 258.199 3.108 20 0 CGADHM [O-]c1cccc(CN2CCC[C@H]3COCC[C@@H]32)c1Cl ZINC000336613975 375875980 /nfs/dbraw/zinc/87/59/80/375875980.db2.gz NXHBGXXKNVRTAK-STQMWFEESA-N -1 3 281.783 3.047 20 0 CGADHM Cc1cccc(C(=O)Nc2cccc(-n3ccnc3)c2)c1[O-] ZINC000193366900 375870534 /nfs/dbraw/zinc/87/05/34/375870534.db2.gz MPJKLKLUOWDWNT-UHFFFAOYSA-N -1 3 293.326 3.139 20 0 CGADHM CC[C@@H](NC(=O)c1ccc(O)cc1[O-])c1cccs1 ZINC000193731358 375914228 /nfs/dbraw/zinc/91/42/28/375914228.db2.gz QGNXPAJQTFIKKU-LLVKDONJSA-N -1 3 277.345 3.040 20 0 CGADHM O=C(Nc1cccc([O-])c1F)c1c[nH]nc1-c1ccccc1 ZINC000536463224 376091784 /nfs/dbraw/zinc/09/17/84/376091784.db2.gz JNENNDSOFYUOGM-UHFFFAOYSA-N -1 3 297.289 3.174 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2C[C@H](C)Oc3ccccc32)c1 ZINC000536688526 376121395 /nfs/dbraw/zinc/12/13/95/376121395.db2.gz YAJXOHLLAGAVFM-LBPRGKRZSA-N -1 3 297.354 3.382 20 0 CGADHM CCc1cccc(C(=O)N(C)[C@H](C)C(C)(C)C)c1[O-] ZINC000538744924 376267982 /nfs/dbraw/zinc/26/79/82/376267982.db2.gz BZRBZSCRWRPITH-LLVKDONJSA-N -1 3 263.381 3.461 20 0 CGADHM CCN(C(=O)c1ccc([O-])c(C)c1)C1CCCCC1 ZINC000226954172 376376764 /nfs/dbraw/zinc/37/67/64/376376764.db2.gz WVAVCMSDDIMFBI-UHFFFAOYSA-N -1 3 261.365 3.495 20 0 CGADHM Cc1cc(C(=O)NCCCc2cccs2)ccc1[O-] ZINC000541854752 376487970 /nfs/dbraw/zinc/48/79/70/376487970.db2.gz DNCFDGXMVZXFTR-UHFFFAOYSA-N -1 3 275.373 3.125 20 0 CGADHM CC1(C)CN(C(=O)c2cc([O-])ccc2Cl)CCS1 ZINC000232798079 376590063 /nfs/dbraw/zinc/59/00/63/376590063.db2.gz XUMGHXKLDZABMF-UHFFFAOYSA-N -1 3 285.796 3.013 20 0 CGADHM O=C(Nc1ccsc1)c1cc([O-])ccc1Cl ZINC000236559320 376667018 /nfs/dbraw/zinc/66/70/18/376667018.db2.gz OPPKYPANBNDJTR-UHFFFAOYSA-N -1 3 253.710 3.359 20 0 CGADHM COc1ccc(Cl)cc1CN1CCC[C@H](C)[C@@H]1C(=O)[O-] ZINC000234845737 376623435 /nfs/dbraw/zinc/62/34/35/376623435.db2.gz JAEIVTUUMGLVPV-IINYFYTJSA-N -1 3 297.782 3.034 20 0 CGADHM O=C(c1cc([O-])ccc1Cl)N1CCc2sccc2C1 ZINC000236606388 376669881 /nfs/dbraw/zinc/66/98/81/376669881.db2.gz FZIZJPCFJFQMBP-UHFFFAOYSA-N -1 3 293.775 3.306 20 0 CGADHM CC(C)(C)n1cc(C(=O)Nc2cc(Cl)ccc2[O-])cn1 ZINC000264538271 190116775 /nfs/dbraw/zinc/11/67/75/190116775.db2.gz NVBFJTREFJJIMS-UHFFFAOYSA-N -1 3 293.754 3.249 20 0 CGADHM CCc1cccc(-c2nc(CCC3CC3)no2)c1[O-] ZINC000545118250 376786522 /nfs/dbraw/zinc/78/65/22/376786522.db2.gz NRNKUGXNRCCAQI-UHFFFAOYSA-N -1 3 258.321 3.347 20 0 CGADHM Cc1ccc(NC(=O)CCOCc2ccccc2)c([O-])c1 ZINC000340033720 376897985 /nfs/dbraw/zinc/89/79/85/376897985.db2.gz WUBXNAPEFZXANV-UHFFFAOYSA-N -1 3 285.343 3.246 20 0 CGADHM CN(Cc1cc(Cl)ccc1F)Cc1ncccc1[O-] ZINC000558408789 377004007 /nfs/dbraw/zinc/00/40/07/377004007.db2.gz IXSDZTSPRZBTPY-UHFFFAOYSA-N -1 3 280.730 3.212 20 0 CGADHM [O-]c1ccc(CCCc2nc(-c3ccco3)no2)cc1F ZINC000559977686 377112674 /nfs/dbraw/zinc/11/26/74/377112674.db2.gz UVHLPSLHKYOUKG-UHFFFAOYSA-N -1 3 288.278 3.350 20 0 CGADHM CC(C)Cn1cc(C(=O)Nc2c([O-])cccc2Cl)cn1 ZINC000560822088 377193697 /nfs/dbraw/zinc/19/36/97/377193697.db2.gz XGXAYPWJLUZKIO-UHFFFAOYSA-N -1 3 293.754 3.150 20 0 CGADHM O=C(Nc1ccc([O-])cc1F)[C@@H]1CCCCCC(=O)C1 ZINC000562327764 377296906 /nfs/dbraw/zinc/29/69/06/377296906.db2.gz MVOQRJFBCCKVMS-SNVBAGLBSA-N -1 3 279.311 3.009 20 0 CGADHM CC1(C)CCCN(C(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC000264928634 190145321 /nfs/dbraw/zinc/14/53/21/190145321.db2.gz WLQCIRRBXTXZPJ-UHFFFAOYSA-N -1 3 284.359 3.203 20 0 CGADHM COc1cc(-c2noc(CSC(C)(C)C)n2)ccc1[O-] ZINC000264997895 190150881 /nfs/dbraw/zinc/15/08/81/190150881.db2.gz KDTADINQZYYJHU-UHFFFAOYSA-N -1 3 294.376 3.483 20 0 CGADHM CC[C@H](c1ccc(Cl)cc1Cl)N(C)CC(=O)[O-] ZINC000563284723 377436556 /nfs/dbraw/zinc/43/65/56/377436556.db2.gz VKZACOPXEOLEKO-LLVKDONJSA-N -1 3 276.163 3.461 20 0 CGADHM COc1cccc(Cl)c1CN1CC[C@@H](C)C[C@@H]1C(=O)[O-] ZINC000563289633 377437477 /nfs/dbraw/zinc/43/74/77/377437477.db2.gz MWSPGKAYGHZMFV-ZWNOBZJWSA-N -1 3 297.782 3.034 20 0 CGADHM C[C@H](C(=O)Nc1c([O-])cccc1Cl)C(F)(F)F ZINC000563397614 377457231 /nfs/dbraw/zinc/45/72/31/377457231.db2.gz KUOJTFYWZANGCE-RXMQYKEDSA-N -1 3 267.634 3.183 20 0 CGADHM O=C(Nc1ccccn1)c1c[n-]nc1-c1cccc(Cl)c1 ZINC000087036729 249021164 /nfs/dbraw/zinc/02/11/64/249021164.db2.gz ONMKXLRHAXBWKK-UHFFFAOYSA-N -1 3 298.733 3.377 20 0 CGADHM O=C(Nc1ccccn1)c1cn[n-]c1-c1cccc(Cl)c1 ZINC000087036729 249021166 /nfs/dbraw/zinc/02/11/66/249021166.db2.gz ONMKXLRHAXBWKK-UHFFFAOYSA-N -1 3 298.733 3.377 20 0 CGADHM C[C@@H](NC(=O)c1c([O-])cccc1O)[C@@H](C)c1ccccc1 ZINC000092123841 249032856 /nfs/dbraw/zinc/03/28/56/249032856.db2.gz QNKQNSDKBJONTB-VXGBXAGGSA-N -1 3 285.343 3.020 20 0 CGADHM CO[C@@H](C)c1cccc(NCc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000417027664 249125075 /nfs/dbraw/zinc/12/50/75/249125075.db2.gz NUYHFOOEPHWBII-NSHDSACASA-N -1 3 299.374 3.379 20 0 CGADHM COc1ccc([O-])c(C(=O)NCC[C@H](C)c2ccccc2)c1 ZINC000315454534 249099518 /nfs/dbraw/zinc/09/95/18/249099518.db2.gz WXNGWJBUYLDXKT-ZDUSSCGKSA-N -1 3 299.370 3.324 20 0 CGADHM C[C@H](CC1CCCCC1)NC(=O)c1cccc([O-])c1 ZINC000428051495 249131009 /nfs/dbraw/zinc/13/10/09/249131009.db2.gz CZCMSSFQAYMOBR-GFCCVEGCSA-N -1 3 261.365 3.481 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)NCC1(C2CCC2)CCC1 ZINC000457157828 249144662 /nfs/dbraw/zinc/14/46/62/249144662.db2.gz IRPINQFGFNGHFI-UHFFFAOYSA-N -1 3 291.366 3.160 20 0 CGADHM C[C@H]1CCCC[C@H]1CC(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000516384081 249232942 /nfs/dbraw/zinc/23/29/42/249232942.db2.gz FFXINXZRFHFEMN-QWRGUYRKSA-N -1 3 288.351 3.220 20 0 CGADHM C[C@H]1CCCC[C@H]1CC(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000516384081 249232944 /nfs/dbraw/zinc/23/29/44/249232944.db2.gz FFXINXZRFHFEMN-QWRGUYRKSA-N -1 3 288.351 3.220 20 0 CGADHM C[C@H]1CCCC[C@H]1CC(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000516384081 249232947 /nfs/dbraw/zinc/23/29/47/249232947.db2.gz FFXINXZRFHFEMN-QWRGUYRKSA-N -1 3 288.351 3.220 20 0 CGADHM Cc1cccc2c1CC[C@H]2NC(=O)c1cccc(C)c1[O-] ZINC000517878309 249272896 /nfs/dbraw/zinc/27/28/96/249272896.db2.gz MWZSDDPRPIYTAV-MRXNPFEDSA-N -1 3 281.355 3.426 20 0 CGADHM CC[C@H](C)[C@@H]1CCCCN1C(=O)c1cccc(OC)c1[O-] ZINC000265656357 190197609 /nfs/dbraw/zinc/19/76/09/190197609.db2.gz YXWHRRSJALEYCW-JSGCOSHPSA-N -1 3 291.391 3.442 20 0 CGADHM Cc1ccccc1[C@]1(F)CCN(Cc2ncccc2[O-])C1 ZINC000574001156 377604643 /nfs/dbraw/zinc/60/46/43/377604643.db2.gz BLXQPYMQBKHFPR-KRWDZBQOSA-N -1 3 286.350 3.166 20 0 CGADHM CC(C)CC(C)(C)c1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000574344155 377651805 /nfs/dbraw/zinc/65/18/05/377651805.db2.gz RZARTNCPHSYZGB-UHFFFAOYSA-N -1 3 285.351 3.332 20 0 CGADHM CCCCn1c(=O)[n-]nc1SCc1ccc(Cl)cn1 ZINC000574353924 377652949 /nfs/dbraw/zinc/65/29/49/377652949.db2.gz CVPPPWRXIHDPKV-UHFFFAOYSA-N -1 3 298.799 3.125 20 0 CGADHM O=C([O-])[C@@H]1CCCN1CCc1cc(Cl)cc(Cl)c1 ZINC000574921872 377725698 /nfs/dbraw/zinc/72/56/98/377725698.db2.gz SZKWQMVVPOLGBP-LBPRGKRZSA-N -1 3 288.174 3.085 20 0 CGADHM CCCCOCCN1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000575003503 377737317 /nfs/dbraw/zinc/73/73/17/377737317.db2.gz OYQFKNLWDDPAAO-HOTGVXAUSA-N -1 3 291.391 3.093 20 0 CGADHM CSc1ccc(CN2C[C@H](C)C[C@H](C(=O)[O-])C2)s1 ZINC000263067244 377916296 /nfs/dbraw/zinc/91/62/96/377916296.db2.gz OIVSHUDBMPZUCK-ZJUUUORDSA-N -1 3 285.434 3.013 20 0 CGADHM C[C@H]1CC[C@@H](C(=O)[O-])CN1Cc1cnc(C(C)(C)C)s1 ZINC000263133722 377920465 /nfs/dbraw/zinc/92/04/65/377920465.db2.gz DAZCAXOZQFRLKL-WDEREUQCSA-N -1 3 296.436 3.126 20 0 CGADHM CC(C)[C@@H](NCc1ccc(F)c(Cl)c1Cl)C(=O)[O-] ZINC000263473965 377941707 /nfs/dbraw/zinc/94/17/07/377941707.db2.gz IRGDYPONVDCEEA-LLVKDONJSA-N -1 3 294.153 3.331 20 0 CGADHM CCOCc1ccc(CNCc2ccc(C(=O)[O-])cc2)cc1 ZINC000263499296 377942384 /nfs/dbraw/zinc/94/23/84/377942384.db2.gz UWMIOINDTRGYPR-UHFFFAOYSA-N -1 3 299.370 3.211 20 0 CGADHM CC(C)[C@@H](NCc1csc(-c2cccs2)n1)C(=O)[O-] ZINC000262723619 377908761 /nfs/dbraw/zinc/90/87/61/377908761.db2.gz XFXFDIKTJGLPOT-LLVKDONJSA-N -1 3 296.417 3.070 20 0 CGADHM CSc1ccc(C)c(NC(=O)c2ccc3n[n-]nc3c2)c1 ZINC000343354958 377958890 /nfs/dbraw/zinc/95/88/90/377958890.db2.gz YPFDFKUQCFJSNW-UHFFFAOYSA-N -1 3 298.371 3.241 20 0 CGADHM CS[C@@H]1CCCCN([C@@H](C)c2ccc(C(=O)[O-])o2)C1 ZINC000578076706 378035683 /nfs/dbraw/zinc/03/56/83/378035683.db2.gz VQCNBJBAHPUAEC-WDEREUQCSA-N -1 3 283.393 3.256 20 0 CGADHM O=C([O-])CCN(Cc1cccc(F)c1F)CC1CCC1 ZINC000578447991 378070062 /nfs/dbraw/zinc/07/00/62/378070062.db2.gz DCYDRCDHZIGHKW-UHFFFAOYSA-N -1 3 283.318 3.042 20 0 CGADHM CCCC[C@H](CC)CC(=O)Nc1nnc(SC)[n-]1 ZINC000343721616 378075460 /nfs/dbraw/zinc/07/54/60/378075460.db2.gz VXNLJRZIOZBPHV-VIFPVBQESA-N -1 3 270.402 3.072 20 0 CGADHM CCCC[C@H](CC)CC(=O)Nc1nc(SC)n[n-]1 ZINC000343721616 378075467 /nfs/dbraw/zinc/07/54/67/378075467.db2.gz VXNLJRZIOZBPHV-VIFPVBQESA-N -1 3 270.402 3.072 20 0 CGADHM CCCC[C@H](CC)CC(=O)Nc1n[n-]c(SC)n1 ZINC000343721616 378075472 /nfs/dbraw/zinc/07/54/72/378075472.db2.gz VXNLJRZIOZBPHV-VIFPVBQESA-N -1 3 270.402 3.072 20 0 CGADHM CCC[C@H](CC)S(=O)(=O)[N-]c1cnn([C@H](C)C2CC2)c1 ZINC000565053522 322057257 /nfs/dbraw/zinc/05/72/57/322057257.db2.gz AEYDDDZXKGYPDJ-RISCZKNCSA-N -1 3 299.440 3.175 20 0 CGADHM CC(C)(CC(=O)Nc1cc(F)ccc1[O-])C1CC1 ZINC000343884618 378123649 /nfs/dbraw/zinc/12/36/49/378123649.db2.gz DZKZJTMIHPRVRR-UHFFFAOYSA-N -1 3 251.301 3.296 20 0 CGADHM CO[C@@H]1CCC[C@@H](C(=O)Nc2ccc(Cl)cc2[O-])C1 ZINC000343888062 378125251 /nfs/dbraw/zinc/12/52/51/378125251.db2.gz NVHBHMATUZBKBE-MWLCHTKSSA-N -1 3 283.755 3.189 20 0 CGADHM CC(C)N(CC(F)F)C(=O)c1c[n-]c2ccccc2c1=O ZINC000269121702 378189076 /nfs/dbraw/zinc/18/90/76/378189076.db2.gz HSOLWDRJVYFNRA-UHFFFAOYSA-N -1 3 294.301 3.056 20 0 CGADHM CSc1ccccc1[C@H](C)NCc1ncccc1[O-] ZINC000580920118 378269065 /nfs/dbraw/zinc/26/90/65/378269065.db2.gz VDNYLIUHGNDYFS-NSHDSACASA-N -1 3 274.389 3.360 20 0 CGADHM C[C@@H]1CCN(C(=O)c2cc(=O)c3ccccc3[n-]2)C[C@@H](C)C1 ZINC000269849652 378272566 /nfs/dbraw/zinc/27/25/66/378272566.db2.gz XQJZXMFPJQAHAC-OLZOCXBDSA-N -1 3 298.386 3.449 20 0 CGADHM CC(C)CO[N-]C(=O)Nc1ccc2cnn(C(C)C)c2c1 ZINC000269654175 378250058 /nfs/dbraw/zinc/25/00/58/378250058.db2.gz FVMOHCUXRZMALY-UHFFFAOYSA-N -1 3 290.367 3.326 20 0 CGADHM CN(Cc1ccoc1C(=O)[O-])[C@@H]1CCc2ccccc21 ZINC000583327389 378322666 /nfs/dbraw/zinc/32/26/66/378322666.db2.gz LYTWVBJAJAZBMK-CQSZACIVSA-N -1 3 271.316 3.097 20 0 CGADHM Cc1cc([C@@H](C)N2CCC(C)(C)C2)oc1C(=O)[O-] ZINC000583504987 378327483 /nfs/dbraw/zinc/32/74/83/378327483.db2.gz NPYSKHKFUAPNDW-SNVBAGLBSA-N -1 3 251.326 3.079 20 0 CGADHM CC(C)N(Cc1c(Cl)cccc1C(=O)[O-])C1CC1 ZINC000583569483 378332049 /nfs/dbraw/zinc/33/20/49/378332049.db2.gz AXULXPYXIVKBLR-UHFFFAOYSA-N -1 3 267.756 3.411 20 0 CGADHM COCCOc1ccc(SCc2ncccc2[O-])cc1 ZINC000584541209 378394289 /nfs/dbraw/zinc/39/42/89/378394289.db2.gz ZHZGMVYYHCQTEJ-UHFFFAOYSA-N -1 3 291.372 3.105 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2c[nH]cc2-c2ccccc2)n1 ZINC000345926271 378410085 /nfs/dbraw/zinc/41/00/85/378410085.db2.gz AYYHKZBNMAMTRN-UHFFFAOYSA-N -1 3 293.326 3.343 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2cccn2C2CCCC2)n1 ZINC000345926537 378410363 /nfs/dbraw/zinc/41/03/63/378410363.db2.gz LHMUFDCVRFHPOG-UHFFFAOYSA-N -1 3 285.347 3.265 20 0 CGADHM CCOc1cccc(NC([O-])=NOC2CCCC2)c1 ZINC000271807332 378506781 /nfs/dbraw/zinc/50/67/81/378506781.db2.gz NQMGGQJXMRINAN-UHFFFAOYSA-N -1 3 264.325 3.081 20 0 CGADHM CCOc1cccc(NC(=O)[N-]OC2CCCC2)c1 ZINC000271807332 378506787 /nfs/dbraw/zinc/50/67/87/378506787.db2.gz NQMGGQJXMRINAN-UHFFFAOYSA-N -1 3 264.325 3.081 20 0 CGADHM CC(C)c1coc([N-]C(=O)c2cc(C(C)C)on2)n1 ZINC000637634527 378547532 /nfs/dbraw/zinc/54/75/32/378547532.db2.gz PEOMTKXTMMOBOQ-UHFFFAOYSA-N -1 3 263.297 3.162 20 0 CGADHM Cc1ccsc1CN(C)[C@@H](C)c1nc(C)cc(=O)[n-]1 ZINC000346497867 378596300 /nfs/dbraw/zinc/59/63/00/378596300.db2.gz VCHFRKMFZCYYIG-NSHDSACASA-N -1 3 277.393 3.054 20 0 CGADHM CC(C)CON=C([O-])Nc1ccc(F)cc1OC(C)C ZINC000272267805 378600486 /nfs/dbraw/zinc/60/04/86/378600486.db2.gz BJYFDUCXFZPOMV-UHFFFAOYSA-N -1 3 284.331 3.322 20 0 CGADHM CC(C)CO[N-]C(=O)Nc1ccc(F)cc1OC(C)C ZINC000272267805 378600490 /nfs/dbraw/zinc/60/04/90/378600490.db2.gz BJYFDUCXFZPOMV-UHFFFAOYSA-N -1 3 284.331 3.322 20 0 CGADHM COc1cc(C(=O)N(C)[C@H]2CCCC[C@@H]2C)ccc1[O-] ZINC000272625807 378679745 /nfs/dbraw/zinc/67/97/45/378679745.db2.gz SHOBMLIIOZYFFZ-AAEUAGOBSA-N -1 3 277.364 3.052 20 0 CGADHM Cc1cc(C(=O)N(C)Cc2cccc(N(C)C)c2)ccc1[O-] ZINC000272641350 378681147 /nfs/dbraw/zinc/68/11/47/378681147.db2.gz LSLOZCDTYMDFRP-UHFFFAOYSA-N -1 3 298.386 3.039 20 0 CGADHM CC[C@@H](NC(=O)c1ccc([O-])c(C)c1)c1nc(C)cs1 ZINC000272482608 378648327 /nfs/dbraw/zinc/64/83/27/378648327.db2.gz QTWHRGVLHWLVPT-GFCCVEGCSA-N -1 3 290.388 3.347 20 0 CGADHM C[C@@H](OCC1CC1)C(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000186292408 542241829 /nfs/dbraw/zinc/24/18/29/542241829.db2.gz UNKSYSPITSZZQZ-VXGBXAGGSA-N -1 3 289.375 3.048 20 0 CGADHM C[C@@H]1CCN(C(=O)CC[C@H]2CCCO2)c2c([O-])cccc21 ZINC000274337004 378814325 /nfs/dbraw/zinc/81/43/25/378814325.db2.gz CLILJYUBTGDXTM-CHWSQXEVSA-N -1 3 289.375 3.192 20 0 CGADHM O=C(CCC(=O)c1cccc(F)c1)Nc1ccccc1[O-] ZINC000348536540 378982312 /nfs/dbraw/zinc/98/23/12/378982312.db2.gz CAKCYLMWGTYYJU-UHFFFAOYSA-N -1 3 287.290 3.133 20 0 CGADHM CC(C)(C)[C@@H](CC(=O)[O-])NCc1cccc(Cl)c1F ZINC000277180887 379090875 /nfs/dbraw/zinc/09/08/75/379090875.db2.gz FGULISCLSNLBFV-LLVKDONJSA-N -1 3 287.762 3.458 20 0 CGADHM C[C@H](NC(=O)c1csc(=O)[n-]1)c1cccc2ccccc21 ZINC000348967587 379124582 /nfs/dbraw/zinc/12/45/82/379124582.db2.gz GRQFJEUTVOUKMX-JTQLQIEISA-N -1 3 298.367 3.493 20 0 CGADHM C[C@@H](CCCC(=O)[O-])NCc1c(F)cccc1Cl ZINC000277309439 379126927 /nfs/dbraw/zinc/12/69/27/379126927.db2.gz NGNQSQRCKDWAHI-VIFPVBQESA-N -1 3 273.735 3.212 20 0 CGADHM CC(C)c1ccc(C(=O)N2CCS[C@@H](C)CC2)c([O-])c1 ZINC000277367179 379142434 /nfs/dbraw/zinc/14/24/34/379142434.db2.gz BMYJBRPYFFOEPF-LBPRGKRZSA-N -1 3 293.432 3.483 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)[C@H]2CCCS2)c1[O-] ZINC000266452180 190258272 /nfs/dbraw/zinc/25/82/72/190258272.db2.gz ODOWFSAVWPZDCB-SNVBAGLBSA-N -1 3 271.769 3.188 20 0 CGADHM Cc1ccc(NC(=O)[C@]2(C)OCCc3ccccc32)c([O-])c1 ZINC000639462422 379410119 /nfs/dbraw/zinc/41/01/19/379410119.db2.gz ZGMYMUGKZCGEQA-GOSISDBHSA-N -1 3 297.354 3.127 20 0 CGADHM COC(=O)c1ccc(-c2nc(C3CCC(C)CC3)no2)[n-]1 ZINC000350508314 379553647 /nfs/dbraw/zinc/55/36/47/379553647.db2.gz ININJHCOZDVPLN-UHFFFAOYSA-N -1 3 289.335 3.145 20 0 CGADHM Cc1oc(C2CC2)nc1-c1nc(-c2ccc([O-])cc2)no1 ZINC000350584878 379567456 /nfs/dbraw/zinc/56/74/56/379567456.db2.gz PORHBDLOUOKTHZ-UHFFFAOYSA-N -1 3 283.287 3.283 20 0 CGADHM CC(C)c1nn(C)cc1NCc1cc([O-])cc(F)c1 ZINC000280215899 379643353 /nfs/dbraw/zinc/64/33/53/379643353.db2.gz FYKQDCBXYMAAMR-UHFFFAOYSA-N -1 3 263.316 3.000 20 0 CGADHM CSCCO[N-]C(=O)CCc1ccc2ccccc2c1 ZINC000280095529 379604372 /nfs/dbraw/zinc/60/43/72/379604372.db2.gz UDTHJXOEWSOUOW-UHFFFAOYSA-N -1 3 289.400 3.183 20 0 CGADHM COC(C)(C)CC(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000280327583 379679992 /nfs/dbraw/zinc/67/99/92/379679992.db2.gz SGHVYRGXJMZWND-NSHDSACASA-N -1 3 277.364 3.048 20 0 CGADHM C[C@@H]1CC=CC[C@H]1C(=O)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000351678127 379736616 /nfs/dbraw/zinc/73/66/16/379736616.db2.gz WIAVOXRZDHBEDO-TZMCWYRMSA-N -1 3 281.359 3.039 20 0 CGADHM CC[C@]1(C)CCN(Cc2ccc(F)cc2C(=O)[O-])C1 ZINC000399371660 379939352 /nfs/dbraw/zinc/93/93/52/379939352.db2.gz VNVDJOHLCXIHFY-OAHLLOKOSA-N -1 3 265.328 3.146 20 0 CGADHM C[C@H](N(C)C(=O)c1cc(=O)c2ccccc2[n-]1)C1(C)CC1 ZINC000267861105 190359529 /nfs/dbraw/zinc/35/95/29/190359529.db2.gz SBNOGDXWDIAUDT-NSHDSACASA-N -1 3 284.359 3.201 20 0 CGADHM Cc1cc(NC(=O)[N-]OC[C@@H]2CCOC2)cc(C)c1Cl ZINC000283022594 380025817 /nfs/dbraw/zinc/02/58/17/380025817.db2.gz OESLEHMSEKNMQZ-LLVKDONJSA-N -1 3 298.770 3.046 20 0 CGADHM O=C1CCc2ccc(-c3nc4cc(F)ccc4c(=O)[n-]3)cc21 ZINC000356898022 284818281 /nfs/dbraw/zinc/81/82/81/284818281.db2.gz VDHVIUPTVVRCMW-UHFFFAOYSA-N -1 3 294.285 3.270 20 0 CGADHM O=C(Nc1ccc(Br)cc1[O-])c1ccco1 ZINC000642324013 380163984 /nfs/dbraw/zinc/16/39/84/380163984.db2.gz NFHVKJJMRKWVBK-UHFFFAOYSA-N -1 3 282.093 3.000 20 0 CGADHM COc1ccccc1-c1cc(=NC(=O)CCCC2CC2)[nH][n-]1 ZINC000643181833 380226015 /nfs/dbraw/zinc/22/60/15/380226015.db2.gz HCWVMDUMHFPJOM-UHFFFAOYSA-N -1 3 299.374 3.026 20 0 CGADHM O=C([O-])c1cccc(CN2CC[C@@H]2Cc2ccccc2)c1 ZINC000414637424 380348935 /nfs/dbraw/zinc/34/89/35/380348935.db2.gz MJZOXLYRSABUMG-QGZVFWFLSA-N -1 3 281.355 3.202 20 0 CGADHM CCCN(CC(F)(F)F)C(=O)c1ccc([O-])c(CC)c1 ZINC000643967464 380402566 /nfs/dbraw/zinc/40/25/66/380402566.db2.gz NZEWQVXYWBUBAS-UHFFFAOYSA-N -1 3 289.297 3.369 20 0 CGADHM Cc1cccc([O-])c1NC(=O)[C@H]1CCCCCC(=O)C1 ZINC000644051824 380412925 /nfs/dbraw/zinc/41/29/25/380412925.db2.gz HXURMIVLLWNMNE-LBPRGKRZSA-N -1 3 275.348 3.179 20 0 CGADHM O=c1cc(CNc2ccc(F)c(Cl)c2)nc(C2CC2)[n-]1 ZINC000416996719 380558821 /nfs/dbraw/zinc/55/88/21/380558821.db2.gz VAFJRTQAHHBEFM-UHFFFAOYSA-N -1 3 293.729 3.464 20 0 CGADHM CCc1ccc(NCc2cc(=O)[n-]c(C3CC3)n2)cc1F ZINC000417021236 380560107 /nfs/dbraw/zinc/56/01/07/380560107.db2.gz GGBHTLANTMXWEK-UHFFFAOYSA-N -1 3 287.338 3.373 20 0 CGADHM C[C@@H](NCc1ccc(Cl)cc1Cl)[C@H](C)C(=O)[O-] ZINC000417609006 380648881 /nfs/dbraw/zinc/64/88/81/380648881.db2.gz JXWSQJDKEWTAMR-JGVFFNPUSA-N -1 3 276.163 3.192 20 0 CGADHM Cc1ccc(CNCc2ncccc2[O-])cc1Cl ZINC000355296696 380630701 /nfs/dbraw/zinc/63/07/01/380630701.db2.gz YXIKZENDKQHRTB-UHFFFAOYSA-N -1 3 262.740 3.039 20 0 CGADHM Cc1cc(CN[C@@H](COC(C)(C)C)C(=O)[O-])ccc1Cl ZINC000417603610 380646637 /nfs/dbraw/zinc/64/66/37/380646637.db2.gz ZAJZPNTVLGNXMK-ZDUSSCGKSA-N -1 3 299.798 3.006 20 0 CGADHM Cc1ncsc1CN[C@H](CCC(=O)[O-])c1ccccc1 ZINC000417602904 380647192 /nfs/dbraw/zinc/64/71/92/380647192.db2.gz POGZXDOMMLBSPP-CYBMUJFWSA-N -1 3 290.388 3.147 20 0 CGADHM [O-]c1cc(F)cc(CNc2cccc3c2CCO3)c1 ZINC000355506404 380691527 /nfs/dbraw/zinc/69/15/27/380691527.db2.gz VQPMYBIMNYCSAP-UHFFFAOYSA-N -1 3 259.280 3.078 20 0 CGADHM O=C(N=c1cc(-c2ccccc2)[n-][nH]1)[C@H]1CC12CCCC2 ZINC000355548239 380707458 /nfs/dbraw/zinc/70/74/58/380707458.db2.gz NLXCFJVCWMNMRO-CYBMUJFWSA-N -1 3 281.359 3.017 20 0 CGADHM CC[C@@H]1C[C@@H](NCc2cccc([O-])c2Cl)CCO1 ZINC000421384987 380929259 /nfs/dbraw/zinc/92/92/59/380929259.db2.gz MUCWJOQKTBBVDY-NWDGAFQWSA-N -1 3 269.772 3.093 20 0 CGADHM Cc1ccc([O-])c(CN2CC3(CC3)c3ccccc32)n1 ZINC000356916948 380936493 /nfs/dbraw/zinc/93/64/93/380936493.db2.gz NDFLQQULUCJHDB-UHFFFAOYSA-N -1 3 266.344 3.147 20 0 CGADHM CC(C)(C)CCS(=O)(=O)[N-]c1cc(F)c(F)cc1F ZINC000357100310 381029240 /nfs/dbraw/zinc/02/92/40/381029240.db2.gz ASGJWDNOGUCMTJ-UHFFFAOYSA-N -1 3 295.326 3.282 20 0 CGADHM Cc1oc([C@@H](C)N(C)CCCOC(C)C)cc1C(=O)[O-] ZINC000572424385 322336941 /nfs/dbraw/zinc/33/69/41/322336941.db2.gz FOICITVNLQSZFM-LLVKDONJSA-N -1 3 283.368 3.094 20 0 CGADHM CCC[C@@H](C)N(C)C(=O)Cc1ccc([O-])cc1Cl ZINC000357248053 381082157 /nfs/dbraw/zinc/08/21/57/381082157.db2.gz QZELYYZHKLHAQQ-SNVBAGLBSA-N -1 3 269.772 3.235 20 0 CGADHM Cc1cccc(C)c1OCCCNC(=O)c1cccc([O-])c1 ZINC000357342945 381116394 /nfs/dbraw/zinc/11/63/94/381116394.db2.gz YSDXOYMHKLVDKY-UHFFFAOYSA-N -1 3 299.370 3.208 20 0 CGADHM CCC[C@@H](C)[C@H]1CCCN1C(=O)c1cccc([O-])c1 ZINC000357442128 381161783 /nfs/dbraw/zinc/16/17/83/381161783.db2.gz ORBHDEDULCYULR-IUODEOHRSA-N -1 3 261.365 3.433 20 0 CGADHM CC[C@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)C(C)(C)C ZINC000357380035 381135323 /nfs/dbraw/zinc/13/53/23/381135323.db2.gz HBEXVJMTXCPPJJ-HNNXBMFYSA-N -1 3 286.375 3.083 20 0 CGADHM CC(C)c1scnc1C(=O)[N-]c1nnc(C2CC2)s1 ZINC000572891124 322360329 /nfs/dbraw/zinc/36/03/29/322360329.db2.gz VVKGKXLOAWIBSY-UHFFFAOYSA-N -1 3 294.405 3.248 20 0 CGADHM Cc1ccc([O-])c(CN2C[C@H](C)Oc3c(F)cccc32)n1 ZINC000361144716 381658087 /nfs/dbraw/zinc/65/80/87/381658087.db2.gz ZTMOAMODLWSSBC-NSHDSACASA-N -1 3 288.322 3.022 20 0 CGADHM CCOCc1nc(=O)c2c(CC(C)C)csc2[n-]1 ZINC000361404606 381735310 /nfs/dbraw/zinc/73/53/10/381735310.db2.gz SZYJIDCLKJITTL-UHFFFAOYSA-N -1 3 266.366 3.132 20 0 CGADHM O=C(NCCCCC1CCCC1)c1ccc2n[n-]nc2c1 ZINC000362248557 381921915 /nfs/dbraw/zinc/92/19/15/381921915.db2.gz GUVZTYYOFQZREA-UHFFFAOYSA-N -1 3 286.379 3.048 20 0 CGADHM C[C@H]1C[C@@H](C(=O)Nc2ccc(C(C)(C)C)cc2[O-])CCO1 ZINC000334963188 207372686 /nfs/dbraw/zinc/37/26/86/207372686.db2.gz NUOBYWQZQRZMMI-RYUDHWBXSA-N -1 3 291.391 3.443 20 0 CGADHM CCc1cc(C(=O)N2CC[C@H](C)[C@H](C)C2)ccc1[O-] ZINC000363002294 382175498 /nfs/dbraw/zinc/17/54/98/382175498.db2.gz TWGYQHVARLQWKJ-NWDGAFQWSA-N -1 3 261.365 3.073 20 0 CGADHM Cc1ccc(CN(CCC(=O)[O-])C(C)C)c(Cl)c1 ZINC000232635450 542306243 /nfs/dbraw/zinc/30/62/43/542306243.db2.gz FSZARHWGAUXOEP-UHFFFAOYSA-N -1 3 269.772 3.334 20 0 CGADHM CCC[C@@H](CC)S(=O)(=O)[N-]c1cccc2[nH]ccc21 ZINC000574747392 322455068 /nfs/dbraw/zinc/45/50/68/322455068.db2.gz FOZWKZBUKXNNBE-LLVKDONJSA-N -1 3 280.393 3.488 20 0 CGADHM CN[C@H](CC(C)(C)C)C(=O)Nc1cccc(Cl)c1[O-] ZINC000449127412 533010566 /nfs/dbraw/zinc/01/05/66/533010566.db2.gz WNDINXPOGZBUHL-LLVKDONJSA-N -1 3 284.787 3.008 20 0 CGADHM O=S(=O)(Cc1cc2ccccc2o1)c1cccc([O-])c1 ZINC000350624159 219039352 /nfs/dbraw/zinc/03/93/52/219039352.db2.gz ZEXYVPRAWQPTPW-UHFFFAOYSA-N -1 3 288.324 3.112 20 0 CGADHM CCO[N-]C(=O)Nc1ccccc1O[C@@H](C)C(F)(F)F ZINC000288833379 197175521 /nfs/dbraw/zinc/17/55/21/197175521.db2.gz NEILRZRKNMNWBT-QMMMGPOBSA-N -1 3 292.257 3.089 20 0 CGADHM CO[C@H]1CCN(C(=O)c2cc([O-])c3ccccc3c2)C[C@H]1C ZINC000334905956 542462864 /nfs/dbraw/zinc/46/28/64/542462864.db2.gz JKEVPHIKOOBXPK-PXAZEXFGSA-N -1 3 299.370 3.042 20 0 CGADHM Cc1cc(=O)[nH]cc1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000339513016 542489059 /nfs/dbraw/zinc/48/90/59/542489059.db2.gz PDXWMFKHLCOMDC-UHFFFAOYSA-N -1 3 294.310 3.207 20 0 CGADHM CC(C)CCOCCOC(=O)c1ccc(Cl)cc1[O-] ZINC000733383925 572562998 /nfs/dbraw/zinc/56/29/98/572562998.db2.gz OYCLUTPJPCFFBJ-UHFFFAOYSA-N -1 3 286.755 3.265 20 0 CGADHM COc1cccc(C(=O)N[C@H]2CCC[C@@H](C(C)C)C2)c1[O-] ZINC000436595120 533418126 /nfs/dbraw/zinc/41/81/26/533418126.db2.gz KKXAWJWUOYZVDC-OLZOCXBDSA-N -1 3 291.391 3.345 20 0 CGADHM COc1cccc(C(C)(C)CNC(=O)c2ccccc2[O-])c1 ZINC000436611165 533423625 /nfs/dbraw/zinc/42/36/25/533423625.db2.gz YWIZFHLGRCCMPN-UHFFFAOYSA-N -1 3 299.370 3.108 20 0 CGADHM COc1cc(C(=O)NCC2(C)CCCCC2)ccc1[O-] ZINC000426265424 533530896 /nfs/dbraw/zinc/53/08/96/533530896.db2.gz GXPINLSBLJUIPL-UHFFFAOYSA-N -1 3 277.364 3.101 20 0 CGADHM Cc1ccc(C(=O)N[C@H]2COc3c2ccc(C)c3C)c([O-])c1 ZINC000436720532 533601782 /nfs/dbraw/zinc/60/17/82/533601782.db2.gz FVYDIBVLBAYXIC-HNNXBMFYSA-N -1 3 297.354 3.181 20 0 CGADHM COc1cc(C(=O)Nc2cc(Cl)ccc2[O-])cc(C)n1 ZINC000436485379 533556355 /nfs/dbraw/zinc/55/63/55/533556355.db2.gz KPVZZYLFKQNFRU-UHFFFAOYSA-N -1 3 292.722 3.010 20 0 CGADHM CCc1ccc(C(=O)Nc2ccccc2CCOC)c([O-])c1 ZINC000190861504 130154773 /nfs/dbraw/zinc/15/47/73/130154773.db2.gz GQUJUWIFYZEXJU-UHFFFAOYSA-N -1 3 299.370 3.396 20 0 CGADHM COCc1ccccc1NC(=O)c1cc(C)ccc1[O-] ZINC000048189552 391994325 /nfs/dbraw/zinc/99/43/25/391994325.db2.gz IXYPURCPHOGILH-UHFFFAOYSA-N -1 3 271.316 3.099 20 0 CGADHM COc1cccc(C(=O)N[C@@H](C)C2CCCCC2)c1[O-] ZINC000052343687 392078201 /nfs/dbraw/zinc/07/82/01/392078201.db2.gz GKZZQCMOYUKCII-NSHDSACASA-N -1 3 277.364 3.099 20 0 CGADHM Cc1cccc(C(=O)NCc2ccc(F)c(Cl)c2)c1[O-] ZINC000053158950 392082645 /nfs/dbraw/zinc/08/26/45/392082645.db2.gz FGULPYUDJKRLGV-UHFFFAOYSA-N -1 3 293.725 3.423 20 0 CGADHM O=C(Nc1ccc(SC2CCCC2)cc1)c1cnn[n-]1 ZINC000048891476 392024669 /nfs/dbraw/zinc/02/46/69/392024669.db2.gz IAOMOVGKCRJASR-UHFFFAOYSA-N -1 3 288.376 3.092 20 0 CGADHM O=C(Nc1ccc(SC2CCCC2)cc1)c1c[n-]nn1 ZINC000048891476 392024679 /nfs/dbraw/zinc/02/46/79/392024679.db2.gz IAOMOVGKCRJASR-UHFFFAOYSA-N -1 3 288.376 3.092 20 0 CGADHM O=C(Nc1ccc(SC2CCCC2)cc1)c1cn[n-]n1 ZINC000048891476 392024689 /nfs/dbraw/zinc/02/46/89/392024689.db2.gz IAOMOVGKCRJASR-UHFFFAOYSA-N -1 3 288.376 3.092 20 0 CGADHM [O-]c1ccccc1-c1nc(Cc2c(F)cccc2F)no1 ZINC000436887451 542658781 /nfs/dbraw/zinc/65/87/81/542658781.db2.gz JYQBIQCJIVDQQA-UHFFFAOYSA-N -1 3 288.253 3.311 20 0 CGADHM COc1ccc(NC(=O)C[C@@H]2CC[C@@H](C)C2)c([O-])c1 ZINC000443559261 542667089 /nfs/dbraw/zinc/66/70/89/542667089.db2.gz NTBYSGVHPNTFOF-GHMZBOCLSA-N -1 3 263.337 3.166 20 0 CGADHM O=C([O-])[C@@]12CCC[C@H]1CN(Cc1ccc(F)cc1Cl)C2 ZINC000262136427 131193614 /nfs/dbraw/zinc/19/36/14/131193614.db2.gz LMEPCISQJYHCAI-XHDPSFHLSA-N -1 3 297.757 3.166 20 0 CGADHM COc1ccc(NC(=O)CCc2ccc(C)cc2)c([O-])c1 ZINC000443571972 542668036 /nfs/dbraw/zinc/66/80/36/542668036.db2.gz GMRIMYFHBZXDKS-UHFFFAOYSA-N -1 3 285.343 3.281 20 0 CGADHM O=c1[n-]c(SCc2ccccc2)nc2cccnc21 ZINC000447120878 542670241 /nfs/dbraw/zinc/67/02/41/542670241.db2.gz IKWXOSJSXUPVLU-UHFFFAOYSA-N -1 3 269.329 3.023 20 0 CGADHM CCc1nnc([N-]C(=O)c2csc(C(C)(C)C)n2)s1 ZINC000263683451 131307883 /nfs/dbraw/zinc/30/78/83/131307883.db2.gz PJEBFHQJHJPSPJ-UHFFFAOYSA-N -1 3 296.421 3.107 20 0 CGADHM Cc1ccc(C(=O)N2CCC[C@H]2C(C)(C)C)c([O-])c1 ZINC000264409649 131446535 /nfs/dbraw/zinc/44/65/35/131446535.db2.gz ZJZBRQNWTZTGNV-AWEZNQCLSA-N -1 3 261.365 3.351 20 0 CGADHM CCN(C(=O)c1ccc([O-])c(C)c1)[C@@H]1CCOC(C)(C)C1 ZINC000291800360 392485558 /nfs/dbraw/zinc/48/55/58/392485558.db2.gz ACCUDESYLGRSNI-CQSZACIVSA-N -1 3 291.391 3.120 20 0 CGADHM Cc1ccc(NC(=O)[N-]OCC2CC2)cc1Br ZINC000292638418 392508278 /nfs/dbraw/zinc/50/82/78/392508278.db2.gz MPNOYXQGMWDOLI-UHFFFAOYSA-N -1 3 299.168 3.221 20 0 CGADHM C[C@@H](N(C)C(=O)Cc1ccc([O-])cc1Cl)C1(C)CC1 ZINC000158115856 392556313 /nfs/dbraw/zinc/55/63/13/392556313.db2.gz IPCZSWCXWDQVMV-SNVBAGLBSA-N -1 3 281.783 3.235 20 0 CGADHM COc1ccccc1Cc1noc(-c2ccc(C)cc2[O-])n1 ZINC000315721134 392669384 /nfs/dbraw/zinc/66/93/84/392669384.db2.gz RYMOJVZLCWXPOJ-UHFFFAOYSA-N -1 3 296.326 3.350 20 0 CGADHM CC1(C)CN(Cc2cccc([O-])c2Cl)CCCO1 ZINC000328473316 392673885 /nfs/dbraw/zinc/67/38/85/392673885.db2.gz NTLMBSIUXWZAIR-UHFFFAOYSA-N -1 3 269.772 3.047 20 0 CGADHM COc1cccc(C(=O)N2CC[C@@H](CC(C)(C)C)C2)c1[O-] ZINC000307775289 392655014 /nfs/dbraw/zinc/65/50/14/392655014.db2.gz NAXAMGZGTQSYAR-LBPRGKRZSA-N -1 3 291.391 3.299 20 0 CGADHM COc1cccc(C(=O)N2CC[C@H](CC(C)(C)C)C2)c1[O-] ZINC000307775288 392655143 /nfs/dbraw/zinc/65/51/43/392655143.db2.gz NAXAMGZGTQSYAR-GFCCVEGCSA-N -1 3 291.391 3.299 20 0 CGADHM Cc1cccc([O-])c1NC(=O)[C@H]1CCOc2ccccc21 ZINC000179559746 392701693 /nfs/dbraw/zinc/70/16/93/392701693.db2.gz UAPPMAVNPSTHCJ-ZDUSSCGKSA-N -1 3 283.327 3.205 20 0 CGADHM Cc1ccccc1C1(NCc2ccc(C(=O)[O-])cc2)CC1 ZINC000647368763 392710101 /nfs/dbraw/zinc/71/01/01/392710101.db2.gz IPBLFHMYCIIPRY-UHFFFAOYSA-N -1 3 281.355 3.472 20 0 CGADHM CC[C@@](C)(OC)C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000506255961 392717422 /nfs/dbraw/zinc/71/74/22/392717422.db2.gz VFLZWHBRIOFFJR-MRXNPFEDSA-N -1 3 279.380 3.443 20 0 CGADHM [O-]c1ccc(F)c(CNCCC2CCCC2)c1F ZINC000509765076 392770915 /nfs/dbraw/zinc/77/09/15/392770915.db2.gz DRZGIDYAAWJYNO-UHFFFAOYSA-N -1 3 255.308 3.340 20 0 CGADHM O=C(c1ccccc1[O-])N1CCC=C(c2ccccc2)C1 ZINC000375597327 392793866 /nfs/dbraw/zinc/79/38/66/392793866.db2.gz DQSRJXYTPHDJTP-UHFFFAOYSA-N -1 3 279.339 3.322 20 0 CGADHM CC(C)O[C@@H]1CCN(Cc2cccc([O-])c2Cl)C1 ZINC000648047941 392884115 /nfs/dbraw/zinc/88/41/15/392884115.db2.gz PYGHURMPIAEUHK-GFCCVEGCSA-N -1 3 269.772 3.045 20 0 CGADHM Cc1ccsc1-c1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000519739563 392888744 /nfs/dbraw/zinc/88/87/44/392888744.db2.gz OUDBSCYJANNKAS-UHFFFAOYSA-N -1 3 283.316 3.045 20 0 CGADHM C[C@@H]1CCCN(Cc2cccc(C(=O)[O-])c2Cl)C1 ZINC000381897216 392914954 /nfs/dbraw/zinc/91/49/54/392914954.db2.gz MCRFWFJONAYFFB-SNVBAGLBSA-N -1 3 267.756 3.270 20 0 CGADHM Cc1ccc(OCCNC(=O)c2cccc(C)c2[O-])c(C)c1 ZINC000520751615 392924951 /nfs/dbraw/zinc/92/49/51/392924951.db2.gz YCSUZWNOOQOTBK-UHFFFAOYSA-N -1 3 299.370 3.126 20 0 CGADHM CC(C)(C)CNC(=O)c1cc([O-])c2ccccc2c1 ZINC000527160065 542741302 /nfs/dbraw/zinc/74/13/02/542741302.db2.gz VNQBKOWEZJZEPX-UHFFFAOYSA-N -1 3 257.333 3.321 20 0 CGADHM O=C(N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1cccc2nn[n-]c21 ZINC000525865594 392950152 /nfs/dbraw/zinc/95/01/52/392950152.db2.gz YZMPTAALKCWNNX-YNEHKIRRSA-N -1 3 298.390 3.047 20 0 CGADHM O=C(N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1cccc2[n-]nnc21 ZINC000525865594 392950154 /nfs/dbraw/zinc/95/01/54/392950154.db2.gz YZMPTAALKCWNNX-YNEHKIRRSA-N -1 3 298.390 3.047 20 0 CGADHM O=C(N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1cccc2n[n-]nc21 ZINC000525865594 392950156 /nfs/dbraw/zinc/95/01/56/392950156.db2.gz YZMPTAALKCWNNX-YNEHKIRRSA-N -1 3 298.390 3.047 20 0 CGADHM [O-]c1cccc(CN[C@@H]2CC[C@@H]3C[C@@H]3C2)c1Br ZINC000403387466 392958887 /nfs/dbraw/zinc/95/88/87/392958887.db2.gz GRAKJIXJZGOLAH-YUSALJHKSA-N -1 3 296.208 3.433 20 0 CGADHM C[C@H]1C[C@H]1c1noc(-c2cc3c(cc2[O-])CCCC3)n1 ZINC000547180673 393095891 /nfs/dbraw/zinc/09/58/91/393095891.db2.gz CGUCJNHLFNFQAA-JOYOIKCWSA-N -1 3 270.332 3.444 20 0 CGADHM CCCCN(CCCC)Cc1nc(CC)cc(=O)[n-]1 ZINC000468270976 393134235 /nfs/dbraw/zinc/13/42/35/393134235.db2.gz RVLYDFMQRONVGY-UHFFFAOYSA-N -1 3 265.401 3.147 20 0 CGADHM CC(C)[C@@H](C)N(C)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000468417214 393140546 /nfs/dbraw/zinc/14/05/46/393140546.db2.gz FGIBUGGCNYORPC-GFCCVEGCSA-N -1 3 281.371 3.357 20 0 CGADHM CC(C)(C)C[C@@H]1C[C@H]1C(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000648766489 393241679 /nfs/dbraw/zinc/24/16/79/393241679.db2.gz XAKFDBQLHHSDKX-VHSXEESVSA-N -1 3 288.351 3.076 20 0 CGADHM CC(C)(C)C[C@@H]1C[C@H]1C(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000648766489 393241684 /nfs/dbraw/zinc/24/16/84/393241684.db2.gz XAKFDBQLHHSDKX-VHSXEESVSA-N -1 3 288.351 3.076 20 0 CGADHM CC(C)(C)C[C@@H]1C[C@H]1C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000648766489 393241691 /nfs/dbraw/zinc/24/16/91/393241691.db2.gz XAKFDBQLHHSDKX-VHSXEESVSA-N -1 3 288.351 3.076 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)N1C2CCCC1CCC2 ZINC000648988164 393308924 /nfs/dbraw/zinc/30/89/24/393308924.db2.gz CRSLZYQZCBXIAA-UHFFFAOYSA-N -1 3 277.339 3.007 20 0 CGADHM CCc1cc(C(=O)N2CCC(C3CC3)CC2)ccc1[O-] ZINC000646767825 393321090 /nfs/dbraw/zinc/32/10/90/393321090.db2.gz SHJIVOJXXNSCJY-UHFFFAOYSA-N -1 3 273.376 3.217 20 0 CGADHM CN(CCCOCc1ccccc1)C(=O)c1cccc([O-])c1 ZINC000281510878 393351031 /nfs/dbraw/zinc/35/10/31/393351031.db2.gz IGXFKWWOJMHCGL-UHFFFAOYSA-N -1 3 299.370 3.071 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@@H]1CCCCC1(F)F ZINC000649229295 393377541 /nfs/dbraw/zinc/37/75/41/393377541.db2.gz VUQSUQOQIYVTTD-JTQLQIEISA-N -1 3 285.338 3.027 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)c1cccc(F)c1Cl ZINC000649231245 393379588 /nfs/dbraw/zinc/37/95/88/393379588.db2.gz MTIOYRCQLLGLSB-UHFFFAOYSA-N -1 3 295.745 3.308 20 0 CGADHM Cc1nc2ccccc2c(N2CC[C@@H](C(=O)[O-])[C@H](C)C2)c1C ZINC000649404264 393413009 /nfs/dbraw/zinc/41/30/09/393413009.db2.gz FJZGYNSIIYAQNO-BXUZGUMPSA-N -1 3 298.386 3.399 20 0 CGADHM Cc1cc2c([n-]c(-c3ccc4cc[nH]c4n3)nc2=O)s1 ZINC000429566035 393481759 /nfs/dbraw/zinc/48/17/59/393481759.db2.gz KDZFKAWOUQGYOB-UHFFFAOYSA-N -1 3 282.328 3.249 20 0 CGADHM CC[C@H](C)[C@@H](C)C(=O)Nc1n[n-]c(-c2ccccc2F)n1 ZINC000356514400 393470047 /nfs/dbraw/zinc/47/00/47/393470047.db2.gz PXTUKRXOVSKLKV-VHSXEESVSA-N -1 3 290.342 3.232 20 0 CGADHM Cc1ccc([O-])c(CN(C)Cc2ccc(F)cc2C)n1 ZINC000488543778 393536646 /nfs/dbraw/zinc/53/66/46/393536646.db2.gz KNVPSURTMFQDBP-UHFFFAOYSA-N -1 3 274.339 3.175 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CCc3cccc(C)c3C2)c1 ZINC000430340310 393563240 /nfs/dbraw/zinc/56/32/40/393563240.db2.gz FCJWPCFOSABUAN-UHFFFAOYSA-N -1 3 295.382 3.462 20 0 CGADHM CCc1ccc(-c2noc(-c3c[n-]c(C(=O)OC)c3)n2)cc1 ZINC000430871398 393601710 /nfs/dbraw/zinc/60/17/10/393601710.db2.gz DCCASPNDYNCMKP-UHFFFAOYSA-N -1 3 297.314 3.081 20 0 CGADHM Cc1ccc2nccc(N3C[C@H](C(=O)[O-])C[C@H](C)C3)c2c1 ZINC000422557707 393639899 /nfs/dbraw/zinc/63/98/99/393639899.db2.gz LDPAKTWRPMREJM-QWHCGFSZSA-N -1 3 284.359 3.090 20 0 CGADHM Cc1cccc([O-])c1NC(=O)[C@H](C)COc1ccccc1 ZINC000490730142 393653207 /nfs/dbraw/zinc/65/32/07/393653207.db2.gz FRXOKGBTMUWGEJ-CYBMUJFWSA-N -1 3 285.343 3.354 20 0 CGADHM CCC1(CNC(=O)c2ccc([O-])c(OC)c2)CCCCC1 ZINC000443119147 393744813 /nfs/dbraw/zinc/74/48/13/393744813.db2.gz XQNVDGYMHFVBSZ-UHFFFAOYSA-N -1 3 291.391 3.491 20 0 CGADHM O=C(/C=C/c1ccc(C(F)(F)F)cc1)[N-]OCC(F)F ZINC000492619531 393762514 /nfs/dbraw/zinc/76/25/14/393762514.db2.gz CURNZGXVSZLLQG-ZZXKWVIFSA-N -1 3 295.207 3.032 20 0 CGADHM CC[C@H](C)[C@@H]1CCCCN1C(=O)c1cc(OC)ccc1[O-] ZINC000436526094 393717586 /nfs/dbraw/zinc/71/75/86/393717586.db2.gz CLEWNULQVGGGMF-WFASDCNBSA-N -1 3 291.391 3.442 20 0 CGADHM CCOc1cc(-c2noc([C@H]3CC3(C)C)n2)ccc1[O-] ZINC000445427132 393793081 /nfs/dbraw/zinc/79/30/81/393793081.db2.gz NLZJCWUBXPUWMZ-SNVBAGLBSA-N -1 3 274.320 3.354 20 0 CGADHM CCc1ccc([O-])c(C(=O)NCc2ccc(F)cc2F)c1 ZINC000500754221 393836771 /nfs/dbraw/zinc/83/67/71/393836771.db2.gz WPLYKOGDJFMYHI-UHFFFAOYSA-N -1 3 291.297 3.163 20 0 CGADHM Cc1cc(C(=O)N2CC[C@H](Cc3ccccc3)C2)ccc1[O-] ZINC000499839392 393809766 /nfs/dbraw/zinc/80/97/66/393809766.db2.gz LMYHSNJDEAYUMM-MRXNPFEDSA-N -1 3 295.382 3.405 20 0 CGADHM Cc1cc(C(=O)NC/C=C/c2ccccc2)ccc1[O-] ZINC000500055553 393815553 /nfs/dbraw/zinc/81/55/53/393815553.db2.gz OXGVIEWFZLXAQC-VMPITWQZSA-N -1 3 267.328 3.144 20 0 CGADHM Cc1ccc(F)c(S(=O)(=O)[N-][C@@H]2CC[C@@H](C)C[C@@H]2C)c1 ZINC000500100342 393817825 /nfs/dbraw/zinc/81/78/25/393817825.db2.gz SKAIZQFUBGEGDF-SCDSUCTJSA-N -1 3 299.411 3.237 20 0 CGADHM CCC(C)(CC)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000500101377 393818113 /nfs/dbraw/zinc/81/81/13/393818113.db2.gz HQAGDSZJMPALBZ-UHFFFAOYSA-N -1 3 281.830 3.259 20 0 CGADHM CC[C@@H](C)OCC(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000501945854 393864672 /nfs/dbraw/zinc/86/46/72/393864672.db2.gz KFSSLENUWKBLLW-LLVKDONJSA-N -1 3 279.380 3.443 20 0 CGADHM Cc1ccc([O-])c(CN2CC(c3ccc(Cl)cc3)C2)n1 ZINC000449554823 393899794 /nfs/dbraw/zinc/89/97/94/393899794.db2.gz DRCVQJLTINAUCD-UHFFFAOYSA-N -1 3 288.778 3.348 20 0 CGADHM C[C@@H]1Cc2ccccc2CN1C(=O)Cc1ccc([O-])c(F)c1 ZINC000449999975 393958880 /nfs/dbraw/zinc/95/88/80/393958880.db2.gz QOSWZIVTXJDFOB-GFCCVEGCSA-N -1 3 299.345 3.047 20 0 CGADHM CCC[C@H](OC)c1noc(-c2cc(C)cc(OC)c2[O-])n1 ZINC000453191904 394201352 /nfs/dbraw/zinc/20/13/52/394201352.db2.gz BTZBTCLYZUCQAS-NSHDSACASA-N -1 3 292.335 3.247 20 0 CGADHM CCc1cc(C(=O)N[C@H](C2CC2)C2CCC2)ccc1[O-] ZINC000457234621 394334349 /nfs/dbraw/zinc/33/43/49/394334349.db2.gz HQRULOXTGUFJQS-INIZCTEOSA-N -1 3 273.376 3.263 20 0 CGADHM [O-]c1cccc(CN2C[C@@H]3CCCC[C@@H]32)c1Cl ZINC000668299223 543003329 /nfs/dbraw/zinc/00/33/29/543003329.db2.gz YBRYLMVZPATGFP-JQWIXIFHSA-N -1 3 251.757 3.420 20 0 CGADHM Cc1ccc(C(=O)N2CC[C@@H](C)C(F)(F)C2)c([O-])c1C ZINC000436820713 292061852 /nfs/dbraw/zinc/06/18/52/292061852.db2.gz MMOKMAKPMYFQGS-SNVBAGLBSA-N -1 3 283.318 3.126 20 0 CGADHM CCc1cc(=O)[n-]c(CN(C)C(C)(C)c2ccccc2)n1 ZINC000671245345 543164431 /nfs/dbraw/zinc/16/44/31/543164431.db2.gz BALINTIHQWSBAQ-UHFFFAOYSA-N -1 3 285.391 3.112 20 0 CGADHM CCC[C@H](CC)S(=O)(=O)[N-]c1cc(F)cc(F)c1F ZINC000650203083 397800895 /nfs/dbraw/zinc/80/08/95/397800895.db2.gz IJKAKYNWTYFKEI-VIFPVBQESA-N -1 3 295.326 3.424 20 0 CGADHM Cc1ccccc1OCc1nc2cccc(F)c2c(=O)[n-]1 ZINC000675722390 543357308 /nfs/dbraw/zinc/35/73/08/543357308.db2.gz JCJHFAHWCAOXHW-UHFFFAOYSA-N -1 3 284.290 3.362 20 0 CGADHM O=C(Nc1cc(Cc2ccccc2)ccc1[O-])c1cnco1 ZINC000677598430 543455894 /nfs/dbraw/zinc/45/58/94/543455894.db2.gz SDHCCYKCVWJUDK-UHFFFAOYSA-N -1 3 294.310 3.223 20 0 CGADHM CCCN(CC(F)(F)F)C(=O)c1cc(CC)ccc1[O-] ZINC000678306661 543513767 /nfs/dbraw/zinc/51/37/67/543513767.db2.gz JTWIUWJNCZOEGY-UHFFFAOYSA-N -1 3 289.297 3.369 20 0 CGADHM CC[C@H](NC(=O)c1cccc(OC)c1[O-])c1cccs1 ZINC000048443703 286905382 /nfs/dbraw/zinc/90/53/82/286905382.db2.gz ZMZCQGBTOXGECC-NSHDSACASA-N -1 3 291.372 3.343 20 0 CGADHM COc1ccc([O-])c(C(=O)N2CCC[C@@H]3CCCC[C@@H]32)c1 ZINC000052076974 286935558 /nfs/dbraw/zinc/93/55/58/286935558.db2.gz PQRMYSARNAQDDB-WFASDCNBSA-N -1 3 289.375 3.196 20 0 CGADHM COc1ccc([O-])c(C(=O)N(C)[C@@H]2CCCC[C@@H]2C)c1 ZINC000055482016 286945570 /nfs/dbraw/zinc/94/55/70/286945570.db2.gz BGYLCVHPHSXEKG-SMDDNHRTSA-N -1 3 277.364 3.052 20 0 CGADHM Cc1ccc(C(=O)N2CCc3ccc(F)cc32)c([O-])c1 ZINC000058741273 286953211 /nfs/dbraw/zinc/95/32/11/286953211.db2.gz JGMSKLIRTQTSHD-UHFFFAOYSA-N -1 3 271.291 3.043 20 0 CGADHM CC[C@@]1(C)CCCN(C(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000074373181 287012258 /nfs/dbraw/zinc/01/22/58/287012258.db2.gz FDWPRNGGWMUWTI-INIZCTEOSA-N -1 3 294.370 3.253 20 0 CGADHM CC[C@H]1CCC[C@@H](NC(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000077839288 287043109 /nfs/dbraw/zinc/04/31/09/287043109.db2.gz QHVONJVMGOXZOS-WCQYABFASA-N -1 3 294.370 3.299 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2C[C@@H]3CCCC[C@@H]3C2)c1 ZINC000078247553 287046093 /nfs/dbraw/zinc/04/60/93/287046093.db2.gz KAUUJAHZPFCCPA-OKILXGFUSA-N -1 3 273.376 3.217 20 0 CGADHM CCN(Cc1ccccc1C)C(=O)c1cccc(OC)c1[O-] ZINC000078280717 287046311 /nfs/dbraw/zinc/04/63/11/287046311.db2.gz VKVRPFNWZWTLJM-UHFFFAOYSA-N -1 3 299.370 3.372 20 0 CGADHM Cc1ccc(CCCC(=O)Nc2ncccc2[O-])s1 ZINC000080000698 287062237 /nfs/dbraw/zinc/06/22/37/287062237.db2.gz MTXGSCALQREWOI-UHFFFAOYSA-N -1 3 276.361 3.119 20 0 CGADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)[C@H](C)c1ccccc1 ZINC000080801695 287068536 /nfs/dbraw/zinc/06/85/36/287068536.db2.gz OJJIGEMBMFASIB-NWDGAFQWSA-N -1 3 295.429 3.219 20 0 CGADHM CCc1cccc(S(=O)(=O)[N-]c2cc(F)ccc2F)c1 ZINC000080923849 287068852 /nfs/dbraw/zinc/06/88/52/287068852.db2.gz IOGUDABEYNTKPR-UHFFFAOYSA-N -1 3 297.326 3.328 20 0 CGADHM Cc1cccc(CSc2n[n-]c(-c3ccccn3)n2)c1 ZINC000078768242 165135519 /nfs/dbraw/zinc/13/55/19/165135519.db2.gz NJLMYUXPNZCEAC-UHFFFAOYSA-N -1 3 282.372 3.467 20 0 CGADHM Cc1nc2cc(NCc3nc(C)ccc3[O-])ccc2o1 ZINC000078779957 165136328 /nfs/dbraw/zinc/13/63/28/165136328.db2.gz BSBXWCONCBRFQG-UHFFFAOYSA-N -1 3 269.304 3.157 20 0 CGADHM O=c1cc(CSc2cccc(Cl)c2)occ1[O-] ZINC000078817938 165140733 /nfs/dbraw/zinc/14/07/33/165140733.db2.gz BOVPXLZPEHZPED-UHFFFAOYSA-N -1 3 268.721 3.291 20 0 CGADHM Cc1ccc(NC(=O)/C=C/c2ccnc(Cl)c2)c([O-])c1 ZINC000090071034 287099551 /nfs/dbraw/zinc/09/95/51/287099551.db2.gz BFGJCJPGWWAXQJ-HWKANZROSA-N -1 3 288.734 3.401 20 0 CGADHM O=C(Nc1ccccc1[O-])c1ccc2[nH]ccc2c1 ZINC000082271202 165168034 /nfs/dbraw/zinc/16/80/34/165168034.db2.gz PVEGEIXKECVOEK-UHFFFAOYSA-N -1 3 252.273 3.126 20 0 CGADHM Cc1ccc([O-])c(CN[C@H](C)c2ccc(C)c(F)c2)n1 ZINC000088511333 165194426 /nfs/dbraw/zinc/19/44/26/165194426.db2.gz HOSHGPLSXFPKHR-GFCCVEGCSA-N -1 3 274.339 3.394 20 0 CGADHM COc1ccc([O-])c(-c2nc(CCc3ccccc3)no2)c1 ZINC000109037669 287127512 /nfs/dbraw/zinc/12/75/12/287127512.db2.gz SHMUWXJKOMCREA-UHFFFAOYSA-N -1 3 296.326 3.236 20 0 CGADHM Cc1ccc(-c2nc(Cc3ccccc3)no2)c([O-])c1 ZINC000109037008 287127234 /nfs/dbraw/zinc/12/72/34/287127234.db2.gz SDEJPZMVHFXGNI-UHFFFAOYSA-N -1 3 266.300 3.341 20 0 CGADHM Cc1ccc(C(=O)[N-]c2nc(-c3cccs3)ns2)o1 ZINC000182137722 165696630 /nfs/dbraw/zinc/69/66/30/165696630.db2.gz SGWKTSAQFCCTRM-UHFFFAOYSA-N -1 3 291.357 3.420 20 0 CGADHM CCCn1c(=O)[n-]nc1SC[C@@H](C)c1ccccc1 ZINC000116610511 287158295 /nfs/dbraw/zinc/15/82/95/287158295.db2.gz OBJBOCFTTQLAKZ-LLVKDONJSA-N -1 3 277.393 3.290 20 0 CGADHM Cc1ccc(OCCC(=O)Nc2ccccc2[O-])c(C)c1 ZINC000121077867 287192493 /nfs/dbraw/zinc/19/24/93/287192493.db2.gz FNPPMSSVHWNKRT-UHFFFAOYSA-N -1 3 285.343 3.417 20 0 CGADHM Cc1conc1[N-]C(=O)c1nc(-c2ccco2)sc1C ZINC000123405561 287219742 /nfs/dbraw/zinc/21/97/42/287219742.db2.gz GUJNFUHTECNDSM-UHFFFAOYSA-N -1 3 289.316 3.260 20 0 CGADHM CCn1nc(C(C)C)cc1C(=O)Nc1ccc([O-])cc1F ZINC000124586858 287235157 /nfs/dbraw/zinc/23/51/57/287235157.db2.gz KOKGCRRCJAPCNV-UHFFFAOYSA-N -1 3 291.326 3.123 20 0 CGADHM COCCCCC(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000125378941 287244007 /nfs/dbraw/zinc/24/40/07/287244007.db2.gz ZPEJHEGYIRCFPP-UHFFFAOYSA-N -1 3 291.269 3.166 20 0 CGADHM Cc1cccc(C(=O)N2CCC[C@H]3CCCC[C@H]32)c1[O-] ZINC000035219407 172059566 /nfs/dbraw/zinc/05/95/66/172059566.db2.gz OVSIXBJWMMNWBA-UKRRQHHQSA-N -1 3 273.376 3.495 20 0 CGADHM O=C(c1ccccc1[O-])N1CCC[C@@H]2CCCC[C@H]21 ZINC000035219400 172059673 /nfs/dbraw/zinc/05/96/73/172059673.db2.gz QHSQBVFFRFGORM-GXTWGEPZSA-N -1 3 259.349 3.187 20 0 CGADHM COc1ccc([C@H](C)N(C)C(=O)c2ccccc2[O-])cc1 ZINC000127101294 287280715 /nfs/dbraw/zinc/28/07/15/287280715.db2.gz OLTCJEBFJFABSB-LBPRGKRZSA-N -1 3 285.343 3.234 20 0 CGADHM CC(C)n1cccc1C(=O)Nc1cccc([O-])c1F ZINC000127293236 287284806 /nfs/dbraw/zinc/28/48/06/287284806.db2.gz QAZMGAVJAMGZEF-UHFFFAOYSA-N -1 3 262.284 3.166 20 0 CGADHM O=C([O-])[C@@H](c1c(F)cccc1Cl)N1CCCCCC1 ZINC000038086520 174097718 /nfs/dbraw/zinc/09/77/18/174097718.db2.gz OLTUBNWOKGPVHA-CYBMUJFWSA-N -1 3 285.746 3.481 20 0 CGADHM Cc1ccc(NC(=O)c2ccc(F)cc2F)c([O-])c1 ZINC000040413314 174255038 /nfs/dbraw/zinc/25/50/38/174255038.db2.gz ZMWYQNXZODUXHS-UHFFFAOYSA-N -1 3 263.243 3.231 20 0 CGADHM C[C@H](Cc1cccc(F)c1)C(=O)Nc1cccc([O-])c1F ZINC000128393988 287309914 /nfs/dbraw/zinc/30/99/14/287309914.db2.gz MCNNBWHUSQWWBP-SNVBAGLBSA-N -1 3 291.297 3.488 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2C[C@@H](C)Oc3ccccc32)c1 ZINC000536688525 288497468 /nfs/dbraw/zinc/49/74/68/288497468.db2.gz YAJXOHLLAGAVFM-GFCCVEGCSA-N -1 3 297.354 3.382 20 0 CGADHM O=C(/C=C/c1cncc([O-])c1)Nc1nccc2sccc21 ZINC000129028103 287322792 /nfs/dbraw/zinc/32/27/92/287322792.db2.gz HKDJGTBTNCFBAN-OWOJBTEDSA-N -1 3 297.339 3.049 20 0 CGADHM CCOc1ccccc1NCc1nc(C)ccc1[O-] ZINC000078780060 177386957 /nfs/dbraw/zinc/38/69/57/177386957.db2.gz OBOYJJBYYZOXCG-UHFFFAOYSA-N -1 3 258.321 3.106 20 0 CGADHM O=C([C@@H]1C[C@@H]2C=C[C@H]1CC2)N1CCCc2cccc([O-])c21 ZINC000402920383 416548404 /nfs/dbraw/zinc/54/84/04/416548404.db2.gz YTBMZTUXAKIXFH-VNHYZAJKSA-N -1 3 283.371 3.274 20 0 CGADHM C[C@@H]1C[C@@H]1C(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000125341618 416509150 /nfs/dbraw/zinc/50/91/50/416509150.db2.gz ADVCBBYBSIOGHE-SVRRBLITSA-N -1 3 259.227 3.006 20 0 CGADHM CC(C)c1ncc(C(=O)Nc2cccc([O-])c2F)s1 ZINC000129617968 287336050 /nfs/dbraw/zinc/33/60/50/287336050.db2.gz JMEAJTTYUNGNPH-UHFFFAOYSA-N -1 3 280.324 3.364 20 0 CGADHM Cc1nc(C[N-]c2nc(-c3ccc(C)cc3)no2)cs1 ZINC000679277022 543611521 /nfs/dbraw/zinc/61/15/21/543611521.db2.gz DLTYQLUCOYONAN-UHFFFAOYSA-N -1 3 286.360 3.422 20 0 CGADHM CC[C@@H]1[C@H](C)CCN1C(=O)c1cc([O-])ccc1Cl ZINC000347238100 287360865 /nfs/dbraw/zinc/36/08/65/287360865.db2.gz XNSUUQWQUCWORQ-NOZJJQNGSA-N -1 3 267.756 3.306 20 0 CGADHM CC[C@H](NC(=O)c1cccc2nn[n-]c21)C1CCCCC1 ZINC000682157222 543831154 /nfs/dbraw/zinc/83/11/54/543831154.db2.gz WITYVBNLHDKKNZ-ZDUSSCGKSA-N -1 3 286.379 3.047 20 0 CGADHM CC[C@H](NC(=O)c1cccc2[n-]nnc21)C1CCCCC1 ZINC000682157222 543831158 /nfs/dbraw/zinc/83/11/58/543831158.db2.gz WITYVBNLHDKKNZ-ZDUSSCGKSA-N -1 3 286.379 3.047 20 0 CGADHM CC[C@H](NC(=O)c1cccc2n[n-]nc21)C1CCCCC1 ZINC000682157222 543831161 /nfs/dbraw/zinc/83/11/61/543831161.db2.gz WITYVBNLHDKKNZ-ZDUSSCGKSA-N -1 3 286.379 3.047 20 0 CGADHM CCc1cccc(C(=O)Nc2cc(OC)ccc2F)c1[O-] ZINC000536733347 288500541 /nfs/dbraw/zinc/50/05/41/288500541.db2.gz VOHLHGWEMLGSFC-UHFFFAOYSA-N -1 3 289.306 3.355 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2cc(CO)c(C)cc2C)c1 ZINC000682579758 543853139 /nfs/dbraw/zinc/85/31/39/543853139.db2.gz AGJYHEOXUBTNLZ-UHFFFAOYSA-N -1 3 299.370 3.316 20 0 CGADHM O=C([N-]c1ncc(-c2ccc(F)cc2)s1)c1cnco1 ZINC000683342429 543908887 /nfs/dbraw/zinc/90/88/87/543908887.db2.gz ROAHKDGBYNZOHI-UHFFFAOYSA-N -1 3 289.291 3.190 20 0 CGADHM COc1ccc([C@H](CC(=O)[O-])NCc2ccc(C)cc2)cc1 ZINC000683170913 543901161 /nfs/dbraw/zinc/90/11/61/543901161.db2.gz BWGAXKCPPZHVLS-KRWDZBQOSA-N -1 3 299.370 3.309 20 0 CGADHM CC(C)c1ccc(C(=O)NC(C)(C)C(F)F)c([O-])c1 ZINC000684344795 543983336 /nfs/dbraw/zinc/98/33/36/543983336.db2.gz YDSXGXKFUCUUPI-UHFFFAOYSA-N -1 3 271.307 3.289 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])[C@@H]1Cc2ccc(F)cc21 ZINC000684466080 544005111 /nfs/dbraw/zinc/00/51/11/544005111.db2.gz XFRDVPFIHXLOJY-GFCCVEGCSA-N -1 3 291.709 3.463 20 0 CGADHM CN(Cc1ccccc1C(F)(F)F)Cc1ncccc1[O-] ZINC000685409311 544065319 /nfs/dbraw/zinc/06/53/19/544065319.db2.gz IKRKYJRQZVMCRR-UHFFFAOYSA-N -1 3 296.292 3.438 20 0 CGADHM [O-]c1cccnc1CNC1(c2ccccc2)CCCC1 ZINC000685424114 544066681 /nfs/dbraw/zinc/06/66/81/544066681.db2.gz BTVAEMNYZSETCC-UHFFFAOYSA-N -1 3 268.360 3.346 20 0 CGADHM C[C@H]1c2c(F)cccc2CCN1Cc1ncccc1[O-] ZINC000685418075 544067266 /nfs/dbraw/zinc/06/72/66/544067266.db2.gz LQOIZZDXOJIEQL-NSHDSACASA-N -1 3 272.323 3.046 20 0 CGADHM [O-]c1cc(CN2CC=CCC2)cc(C(F)(F)F)c1 ZINC000685843084 544101440 /nfs/dbraw/zinc/10/14/40/544101440.db2.gz ITTHVOKKJREHKK-UHFFFAOYSA-N -1 3 257.255 3.173 20 0 CGADHM CN(Cc1oc(-c2ccccc2)nc1C(=O)[O-])C1CCC1 ZINC000652417002 418965221 /nfs/dbraw/zinc/96/52/21/418965221.db2.gz QDQHKMSGVZNKQB-UHFFFAOYSA-N -1 3 286.331 3.024 20 0 CGADHM CC/C=C\CCN1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000652469970 418973210 /nfs/dbraw/zinc/97/32/10/418973210.db2.gz KBJKHDIJVIGFLA-JZIMQPMSSA-N -1 3 259.349 3.027 20 0 CGADHM C[C@H]1CCCN(Cc2cc(C(=O)[O-])ccc2Cl)C1 ZINC000652366771 418957618 /nfs/dbraw/zinc/95/76/18/418957618.db2.gz OCDFIVWVWPDBKO-JTQLQIEISA-N -1 3 267.756 3.270 20 0 CGADHM CN(Cc1ccc(C(=O)[O-])o1)[C@H]1CCc2ccccc21 ZINC000652385491 418959969 /nfs/dbraw/zinc/95/99/69/418959969.db2.gz WDVVRRSFXGRQLQ-AWEZNQCLSA-N -1 3 271.316 3.097 20 0 CGADHM O=C([O-])c1coc(CN2CCCC[C@H]2C2CCC2)c1 ZINC000652415315 418964389 /nfs/dbraw/zinc/96/43/89/418964389.db2.gz IJAHGPCNIAPZNG-AWEZNQCLSA-N -1 3 263.337 3.132 20 0 CGADHM COc1ccc(C(=O)N2CC[C@@H](C)c3cccc([O-])c32)o1 ZINC000655002941 419014246 /nfs/dbraw/zinc/01/42/46/419014246.db2.gz AOCOHPFNWRQHCP-SNVBAGLBSA-N -1 3 287.315 3.148 20 0 CGADHM O=C(Nc1c([O-])cccc1Cl)[C@]12C[C@H]1CCC2 ZINC000655110287 419021857 /nfs/dbraw/zinc/02/18/57/419021857.db2.gz CFDOJBHEGMKABT-AMIZOPFISA-N -1 3 251.713 3.174 20 0 CGADHM COc1cc(C)ccc1CN1CCC(CCC(=O)[O-])CC1 ZINC000665343697 419114143 /nfs/dbraw/zinc/11/41/43/419114143.db2.gz QUYBBZMFJCZHLF-UHFFFAOYSA-N -1 3 291.391 3.080 20 0 CGADHM C[C@@H](Nc1ccnc2ccccc21)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656092217 419138172 /nfs/dbraw/zinc/13/81/72/419138172.db2.gz KRGSMYYEYQROMK-KWCYVHTRSA-N -1 3 298.386 3.204 20 0 CGADHM CCOc1cc(CN2CC(C3CC3)C2)cc(Cl)c1[O-] ZINC000656630261 419186981 /nfs/dbraw/zinc/18/69/81/419186981.db2.gz FWMGSGUHSQZJTE-UHFFFAOYSA-N -1 3 281.783 3.286 20 0 CGADHM Cc1ccc(CN2CC[C@H](C)[C@H](C(=O)[O-])C2)c(Cl)c1 ZINC000655927302 419127565 /nfs/dbraw/zinc/12/75/65/419127565.db2.gz HAXFLLOLVKYALX-WCQYABFASA-N -1 3 281.783 3.191 20 0 CGADHM COc1cccc(CN(C[C@H](C)C(=O)[O-])C2CC2)c1Cl ZINC000656757529 419209439 /nfs/dbraw/zinc/20/94/39/419209439.db2.gz SZCDADZHEXQGTQ-JTQLQIEISA-N -1 3 297.782 3.034 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N(C)C[C@H]2CCc3ccccc32)n1 ZINC000662195984 419354531 /nfs/dbraw/zinc/35/45/31/419354531.db2.gz DMUHTEQXDCIZBP-DZGCQCFKSA-N -1 3 297.402 3.213 20 0 CGADHM CCn1c(=O)[n-]nc1SCc1cccc(C(C)C)c1 ZINC000663237202 419527922 /nfs/dbraw/zinc/52/79/22/419527922.db2.gz GOMYCUJSTJNCJG-UHFFFAOYSA-N -1 3 277.393 3.419 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)/C=C/c2ccc[nH]2)c1[O-] ZINC000188647471 287562051 /nfs/dbraw/zinc/56/20/51/287562051.db2.gz PUVRAHXSLOWCJY-SNAWJCMRSA-N -1 3 276.723 3.334 20 0 CGADHM O=C([O-])c1cccc(CNCC2(C(F)(F)F)CCC2)c1 ZINC000414643052 263019915 /nfs/dbraw/zinc/01/99/15/263019915.db2.gz WQFYXNWXORQOQW-UHFFFAOYSA-N -1 3 287.281 3.207 20 0 CGADHM COc1cc(-c2ccccc2)ccc1CN[C@@H](C)CC(=O)[O-] ZINC000414644563 263020098 /nfs/dbraw/zinc/02/00/98/263020098.db2.gz ZZQSBNKEBXTXGM-ZDUSSCGKSA-N -1 3 299.370 3.315 20 0 CGADHM COc1cccc(C(=O)Nc2nc(C(C)C)cs2)c1[O-] ZINC000042306625 270031960 /nfs/dbraw/zinc/03/19/60/270031960.db2.gz VIKIZYMSBGGYHK-UHFFFAOYSA-N -1 3 292.360 3.233 20 0 CGADHM CC(=O)c1cccc(NC(=O)C=Cc2cccc([O-])c2)c1 ZINC000183298201 270055196 /nfs/dbraw/zinc/05/51/96/270055196.db2.gz BJOYTBVJDHOJKQ-CMDGGOBGSA-N -1 3 281.311 3.247 20 0 CGADHM COc1ccc([O-])c(C(=O)N[C@@H](C)Cc2ccccc2C)c1 ZINC000519209785 265365249 /nfs/dbraw/zinc/36/52/49/265365249.db2.gz HZZIUSKDWRTFOF-ZDUSSCGKSA-N -1 3 299.370 3.070 20 0 CGADHM Cc1nn(C)cc1-c1csc(-c2ccccc2[O-])n1 ZINC000096478323 265369269 /nfs/dbraw/zinc/36/92/69/265369269.db2.gz GJBWCZOSXIOFIL-UHFFFAOYSA-N -1 3 271.345 3.225 20 0 CGADHM [O-]c1cc(F)cc(CNCc2ccn(C3CCCC3)n2)c1 ZINC000185584306 270063769 /nfs/dbraw/zinc/06/37/69/270063769.db2.gz RSVJKXDNVIXHFO-UHFFFAOYSA-N -1 3 289.354 3.133 20 0 CGADHM C[S@@](=O)Cc1ccccc1NCc1cc([O-])cc(F)c1 ZINC000185628311 270063870 /nfs/dbraw/zinc/06/38/70/270063870.db2.gz FLHUNEGVMMLXEY-HXUWFJFHSA-N -1 3 293.363 3.022 20 0 CGADHM Cc1cc(C(=O)Nc2cc(Cl)ccc2[O-])co1 ZINC000188841402 270070098 /nfs/dbraw/zinc/07/00/98/270070098.db2.gz DJWHSQCJYLKSFY-UHFFFAOYSA-N -1 3 251.669 3.199 20 0 CGADHM CSc1ccccc1[N-]C(=O)c1ncc(F)cc1F ZINC000192048470 270076784 /nfs/dbraw/zinc/07/67/84/270076784.db2.gz HGLXJPREVDIUED-UHFFFAOYSA-N -1 3 280.299 3.334 20 0 CGADHM CCc1ccc([O-])c(C(=O)N(C)Cc2ccccc2)c1 ZINC000522151335 270104990 /nfs/dbraw/zinc/10/49/90/270104990.db2.gz XQAPJHKXDOAFJH-UHFFFAOYSA-N -1 3 269.344 3.227 20 0 CGADHM CC1CCC(CC(=O)Nc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000523745921 270110707 /nfs/dbraw/zinc/11/07/07/270110707.db2.gz LZCIQKVAMUEOHH-UHFFFAOYSA-N -1 3 299.378 3.022 20 0 CGADHM CC1CCC(CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000523745921 270110708 /nfs/dbraw/zinc/11/07/08/270110708.db2.gz LZCIQKVAMUEOHH-UHFFFAOYSA-N -1 3 299.378 3.022 20 0 CGADHM C[C@]1(Br)C[C@@H]1c1nc(-c2ccc([O-])cc2)no1 ZINC000528156127 270156151 /nfs/dbraw/zinc/15/61/51/270156151.db2.gz MEBTZUQRIUKFIQ-SKDRFNHKSA-N -1 3 295.136 3.083 20 0 CGADHM CC(C)ON=C([O-])Nc1cc2c(cc1Cl)CCC2 ZINC000529281654 270179425 /nfs/dbraw/zinc/17/94/25/270179425.db2.gz DUXOQQPPCZCGKQ-UHFFFAOYSA-N -1 3 268.744 3.290 20 0 CGADHM CC(C)O[N-]C(=O)Nc1cc2c(cc1Cl)CCC2 ZINC000529281654 270179426 /nfs/dbraw/zinc/17/94/26/270179426.db2.gz DUXOQQPPCZCGKQ-UHFFFAOYSA-N -1 3 268.744 3.290 20 0 CGADHM C[C@@H](CN(C)C(=O)c1csc(=O)[n-]1)C1CCCCC1 ZINC000530039472 270193617 /nfs/dbraw/zinc/19/36/17/270193617.db2.gz PBOTYHNZRLFTPD-JTQLQIEISA-N -1 3 282.409 3.137 20 0 CGADHM CC(C)c1cc(C(=O)NCC2COC2)c([O-])c(C(C)C)c1 ZINC000530114254 270194649 /nfs/dbraw/zinc/19/46/49/270194649.db2.gz VBLNENOTAXQHKI-UHFFFAOYSA-N -1 3 291.391 3.015 20 0 CGADHM CCC[C@@H](C)N1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC000530169160 270195360 /nfs/dbraw/zinc/19/53/60/270195360.db2.gz QWFAMZQJVUPVOP-SNVBAGLBSA-N -1 3 265.328 3.071 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)C2CCCC2)c1-c1ccc(C)cc1 ZINC000530271684 270198225 /nfs/dbraw/zinc/19/82/25/270198225.db2.gz KYOUXUXZKUMYLB-UHFFFAOYSA-N -1 3 283.375 3.244 20 0 CGADHM CCC(CC)C(=O)N=c1[nH][n-]c(C)c1-c1ccc(C)cc1 ZINC000530273093 270198291 /nfs/dbraw/zinc/19/82/91/270198291.db2.gz UDSLDBGPBUFYRT-UHFFFAOYSA-N -1 3 285.391 3.490 20 0 CGADHM CCc1ncc(C(=O)[N-]c2cc(-c3ccccc3)on2)s1 ZINC000530880886 270203254 /nfs/dbraw/zinc/20/32/54/270203254.db2.gz PNHBQIOWFHJVTA-UHFFFAOYSA-N -1 3 299.355 3.035 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CC[C@H]2Cc2ccccc2)c1 ZINC000530878062 270203319 /nfs/dbraw/zinc/20/33/19/270203319.db2.gz IBINYRXRLSYHNE-HNNXBMFYSA-N -1 3 281.355 3.158 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])c1cnc2ccsc2c1 ZINC000531135166 270204359 /nfs/dbraw/zinc/20/43/59/270204359.db2.gz MMNIBKIVXLNIGZ-UHFFFAOYSA-N -1 3 288.303 3.393 20 0 CGADHM CC[C@@]1(C)C[C@@H]1C(=O)N=c1cc(-c2ccccc2C)[n-][nH]1 ZINC000537118993 288514780 /nfs/dbraw/zinc/51/47/80/288514780.db2.gz OTKFHYPXIVZAJM-DYVFJYSZSA-N -1 3 283.375 3.182 20 0 CGADHM CC(C)(C)c1nnc([N-]C(=O)c2ccc(Cl)cn2)s1 ZINC000265569634 277279406 /nfs/dbraw/zinc/27/94/06/277279406.db2.gz SCQDCYOFRFHQDH-UHFFFAOYSA-N -1 3 296.783 3.136 20 0 CGADHM CC(F)(F)C(=O)[N-][C@H]1CCSc2ccc(F)cc21 ZINC000284011131 278158577 /nfs/dbraw/zinc/15/85/77/278158577.db2.gz LEQPVEKZSSIRQG-VIFPVBQESA-N -1 3 275.295 3.134 20 0 CGADHM CC(C)[C@]1(C)C[C@H]1NC(=O)c1cc([O-])ccc1Cl ZINC000397126144 288021555 /nfs/dbraw/zinc/02/15/55/288021555.db2.gz QNVBCUCYIUSWJJ-OCCSQVGLSA-N -1 3 267.756 3.210 20 0 CGADHM CC(C)[C@]1(C)C[C@@H]1NC(=O)c1cc([O-])ccc1Cl ZINC000397126142 288021580 /nfs/dbraw/zinc/02/15/80/288021580.db2.gz QNVBCUCYIUSWJJ-JSGCOSHPSA-N -1 3 267.756 3.210 20 0 CGADHM CC1(C)Cc2ccc(C(=O)NC3CCCCC3)c([O-])c2O1 ZINC000436777554 278396712 /nfs/dbraw/zinc/39/67/12/278396712.db2.gz YVRPSAOWIJQDEA-UHFFFAOYSA-N -1 3 289.375 3.168 20 0 CGADHM CC[C@@H](NC(=O)c1ccc(C(C)C)cc1[O-])c1ncc[nH]1 ZINC000443134737 288070360 /nfs/dbraw/zinc/07/03/60/288070360.db2.gz OTPHJYQWRMWOIZ-CYBMUJFWSA-N -1 3 287.363 3.120 20 0 CGADHM [O-]c1cccc(CN2CCC23CCC3)c1Br ZINC000459384583 288086768 /nfs/dbraw/zinc/08/67/68/288086768.db2.gz XWRXOWUBILPQHX-UHFFFAOYSA-N -1 3 282.181 3.283 20 0 CGADHM Cc1cc(C(=O)[N-]c2c(F)cc(Cl)cc2F)nc(C)n1 ZINC000334143093 280365654 /nfs/dbraw/zinc/36/56/54/280365654.db2.gz PQXMDOMKWNMQPM-UHFFFAOYSA-N -1 3 297.692 3.277 20 0 CGADHM CCC[C@H](OCC)C(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000529054698 288230781 /nfs/dbraw/zinc/23/07/81/288230781.db2.gz JAHVGOXHVQCYPC-DOMZBBRYSA-N -1 3 291.391 3.438 20 0 CGADHM CCc1cc(C(=O)N2CCC(F)(F)C[C@H]2C)ccc1[O-] ZINC000530012567 288284765 /nfs/dbraw/zinc/28/47/65/288284765.db2.gz YRYAUVLOMIPLPK-SNVBAGLBSA-N -1 3 283.318 3.214 20 0 CGADHM Cc1ccc2c(CN3CCO[C@H]4CCC[C@@H]43)ccc([O-])c2n1 ZINC000338236750 281045765 /nfs/dbraw/zinc/04/57/65/281045765.db2.gz RAHDRHXIHRFMEH-RDJZCZTQSA-N -1 3 298.386 3.002 20 0 CGADHM CC[C@@H](C(=O)Nc1cccc([O-])c1F)c1c(C)noc1C ZINC000536462353 288481824 /nfs/dbraw/zinc/48/18/24/288481824.db2.gz DPPBPOPZMRHMGL-SNVBAGLBSA-N -1 3 292.310 3.268 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CCC[C@H]2c2ccccn2)c1 ZINC000536687826 288497437 /nfs/dbraw/zinc/49/74/37/288497437.db2.gz FWRXAIOEILEJEB-HNNXBMFYSA-N -1 3 282.343 3.073 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2ccccc2N(C)C)c1 ZINC000537646296 288541550 /nfs/dbraw/zinc/54/15/50/288541550.db2.gz BYOLLKGXNBZGJU-UHFFFAOYSA-N -1 3 284.359 3.273 20 0 CGADHM CCc1ccc([O-])c(C(=O)N[C@@H](C)c2ccncc2CC)c1 ZINC000539098863 288604757 /nfs/dbraw/zinc/60/47/57/288604757.db2.gz ZXXACAXEILFCOT-LBPRGKRZSA-N -1 3 298.386 3.403 20 0 CGADHM CC(C)[C@@H](Cc1ccccc1)C(=O)Nc1ncccc1[O-] ZINC000541238176 288690204 /nfs/dbraw/zinc/69/02/04/288690204.db2.gz QQNMOUYKRJPYPI-CQSZACIVSA-N -1 3 284.359 3.241 20 0 CGADHM CC(=O)c1cccc(NC(=O)CCc2ccsc2)c1[O-] ZINC000552069440 289159217 /nfs/dbraw/zinc/15/92/17/289159217.db2.gz SLMNDPKJJINJHB-UHFFFAOYSA-N -1 3 289.356 3.228 20 0 CGADHM CC(=O)c1cccc(NC(=O)c2ccc(C(C)C)nc2)c1[O-] ZINC000552069529 289159223 /nfs/dbraw/zinc/15/92/23/289159223.db2.gz YGUBLFRVTGSORU-UHFFFAOYSA-N -1 3 298.342 3.366 20 0 CGADHM CC(=O)c1cccc(NC(=O)CCc2ccc(C)cc2)c1[O-] ZINC000552287203 289178972 /nfs/dbraw/zinc/17/89/72/289178972.db2.gz LAMIGKXQPFNEDY-UHFFFAOYSA-N -1 3 297.354 3.475 20 0 CGADHM CC(C)CCO[C@H](C)C(=O)Nc1c([O-])cccc1Cl ZINC000552781519 289198855 /nfs/dbraw/zinc/19/88/55/289198855.db2.gz JKAHXPYVZVRXED-SNVBAGLBSA-N -1 3 285.771 3.435 20 0 CGADHM Cc1scc(-c2nc(-c3ccc4n[n-]nc4c3)no2)c1C ZINC000558891793 289525946 /nfs/dbraw/zinc/52/59/46/289525946.db2.gz JASHUIIMLBCXQH-UHFFFAOYSA-N -1 3 297.343 3.353 20 0 CGADHM Cc1nc2ccccc2c(N2CC[C@@](C)(C(=O)[O-])C2)c1C ZINC000263443396 302665218 /nfs/dbraw/zinc/66/52/18/302665218.db2.gz XWIPJHPQXVMLSX-QGZVFWFLSA-N -1 3 284.359 3.153 20 0 CGADHM C[C@@H](NCC1CCCCCC1)c1ncc(C(=O)[O-])s1 ZINC000315291527 321959863 /nfs/dbraw/zinc/95/98/63/321959863.db2.gz HNWHYAIGHXXGNG-SNVBAGLBSA-N -1 3 282.409 3.462 20 0 CGADHM CN(Cc1cccc(C(F)(F)F)c1)Cc1ncccc1[O-] ZINC000564286738 322025092 /nfs/dbraw/zinc/02/50/92/322025092.db2.gz NTVTWHJQULYJGY-UHFFFAOYSA-N -1 3 296.292 3.438 20 0 CGADHM CCC1(CC)CCN([C@@H](C)c2nc(C)cc(=O)[n-]2)C1 ZINC000564285151 322025452 /nfs/dbraw/zinc/02/54/52/322025452.db2.gz FQBJSMBWJKBDHA-LBPRGKRZSA-N -1 3 263.385 3.064 20 0 CGADHM [O-]c1cccnc1CN1CCC[C@H]1c1ccccc1 ZINC000564686474 322039145 /nfs/dbraw/zinc/03/91/45/322039145.db2.gz IVFSRUZNYXHHMH-HNNXBMFYSA-N -1 3 254.333 3.124 20 0 CGADHM C[C@H](C(=O)Nc1nnc(-c2cc3ccccc3o2)[n-]1)C1CC1 ZINC000564852996 322046405 /nfs/dbraw/zinc/04/64/05/322046405.db2.gz HOEGBZXWKBRMBB-VIFPVBQESA-N -1 3 296.330 3.203 20 0 CGADHM C[C@H](C(=O)Nc1nc(-c2cc3ccccc3o2)n[n-]1)C1CC1 ZINC000564852996 322046407 /nfs/dbraw/zinc/04/64/07/322046407.db2.gz HOEGBZXWKBRMBB-VIFPVBQESA-N -1 3 296.330 3.203 20 0 CGADHM C[C@H](C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1)C1CC1 ZINC000564852996 322046409 /nfs/dbraw/zinc/04/64/09/322046409.db2.gz HOEGBZXWKBRMBB-VIFPVBQESA-N -1 3 296.330 3.203 20 0 CGADHM CC[C@@H]1CCC[C@H](NC(=O)c2c[n-]nc2-c2ccccn2)C1 ZINC000565628804 322084927 /nfs/dbraw/zinc/08/49/27/322084927.db2.gz AHUFELFIIZCAMA-OLZOCXBDSA-N -1 3 298.390 3.170 20 0 CGADHM O=C([O-])c1ccc(Cl)c(CN2C[C@@H]3CCC[C@@H]3C2)c1 ZINC000565897968 322095714 /nfs/dbraw/zinc/09/57/14/322095714.db2.gz GSJFTOGSKXYQNK-TXEJJXNPSA-N -1 3 279.767 3.270 20 0 CGADHM CC(C)C[C@@H](C(=O)[O-])N(C)Cc1cc(F)ccc1Cl ZINC000565899434 322096146 /nfs/dbraw/zinc/09/61/46/322096146.db2.gz YCWYHVLDNOPCPW-ZDUSSCGKSA-N -1 3 287.762 3.410 20 0 CGADHM Cc1cccc(C2=CCN(CCCCC(=O)[O-])CC2)c1 ZINC000566074521 322103171 /nfs/dbraw/zinc/10/31/71/322103171.db2.gz OQQWYQBNSCDLCZ-UHFFFAOYSA-N -1 3 273.376 3.339 20 0 CGADHM CCN(Cc1c(Cl)cccc1C(=O)[O-])C(C)C ZINC000566358452 322117920 /nfs/dbraw/zinc/11/79/20/322117920.db2.gz WYJXZFWHFPYFNA-UHFFFAOYSA-N -1 3 255.745 3.269 20 0 CGADHM C[C@H]1CCN([C@H](C(=O)[O-])c2cccc(Cl)c2Cl)C1 ZINC000566359788 322118429 /nfs/dbraw/zinc/11/84/29/322118429.db2.gz YGFIRXKGWKTYJM-UFBFGSQYSA-N -1 3 288.174 3.461 20 0 CGADHM COc1ccc(CN2CC[C@@H](C)C[C@H]2C(=O)[O-])cc1Cl ZINC000566567272 322129931 /nfs/dbraw/zinc/12/99/31/322129931.db2.gz YIVKLUZCALYXPT-MFKMUULPSA-N -1 3 297.782 3.034 20 0 CGADHM CC[C@H](C)[C@@H](C)N(Cc1nc(C(=O)[O-])cs1)C1CC1 ZINC000566567092 322129970 /nfs/dbraw/zinc/12/99/70/322129970.db2.gz KAHJVXSNIYEBGD-VHSXEESVSA-N -1 3 282.409 3.240 20 0 CGADHM CC(C)[C@@H](c1ccccc1)N(C)C(=O)Cc1cncc([O-])c1 ZINC000566630668 322132374 /nfs/dbraw/zinc/13/23/74/322132374.db2.gz NCSBHTNIFIHMJW-SFHVURJKSA-N -1 3 298.386 3.185 20 0 CGADHM Cc1nc(C2CC2)oc1C(=O)Nc1c([O-])cccc1Cl ZINC000567314307 322158579 /nfs/dbraw/zinc/15/85/79/322158579.db2.gz CEZAMCSHWVVMSV-UHFFFAOYSA-N -1 3 292.722 3.472 20 0 CGADHM Cc1ccc(O)c(C(=O)Nc2c([O-])cccc2Cl)c1 ZINC000567314590 322158677 /nfs/dbraw/zinc/15/86/77/322158677.db2.gz MAYVNBKCOIHOMD-UHFFFAOYSA-N -1 3 277.707 3.312 20 0 CGADHM C[C@@H]1CN([C@@H](C(=O)[O-])c2cccc(Cl)c2)C[C@H](C)S1 ZINC000568062001 322191128 /nfs/dbraw/zinc/19/11/28/322191128.db2.gz ZNUJUJNARYWTKO-GBIKHYSHSA-N -1 3 299.823 3.292 20 0 CGADHM CC(C)CC1(C)CCN(Cc2ccc(C(=O)[O-])cn2)CC1 ZINC000568296500 322204153 /nfs/dbraw/zinc/20/41/53/322204153.db2.gz MCLSHWCQJPXHII-UHFFFAOYSA-N -1 3 290.407 3.428 20 0 CGADHM Cc1oc(C2CC2)nc1C(=O)N1CCCc2cccc([O-])c21 ZINC000569219540 322239578 /nfs/dbraw/zinc/23/95/78/322239578.db2.gz UZQNOZVBZMULFZ-UHFFFAOYSA-N -1 3 298.342 3.159 20 0 CGADHM CC(C)c1cc(C(=O)Nc2c([O-])cccc2Cl)nn1C ZINC000569273148 322241696 /nfs/dbraw/zinc/24/16/96/322241696.db2.gz UNQPBXOWGSQDJS-UHFFFAOYSA-N -1 3 293.754 3.155 20 0 CGADHM CCc1cccc(C(=O)N2CC(C(C)(C)C)C2)c1[O-] ZINC000569322731 322243333 /nfs/dbraw/zinc/24/33/33/322243333.db2.gz PHNKFMUCOVGAEX-UHFFFAOYSA-N -1 3 261.365 3.073 20 0 CGADHM CC[C@H](c1ccc(F)cc1F)N1CC[C@@H](C(=O)[O-])[C@H]1C ZINC000569855792 322258956 /nfs/dbraw/zinc/25/89/56/322258956.db2.gz APQREHJUYGPZOG-GLXFQSAKSA-N -1 3 283.318 3.211 20 0 CGADHM C[C@@H]1CN(CCCCCC(=O)[O-])[C@@H](c2ccccc2)CO1 ZINC000570099950 322264897 /nfs/dbraw/zinc/26/48/97/322264897.db2.gz DQHRLSKFACXUMD-GDBMZVCRSA-N -1 3 291.391 3.093 20 0 CGADHM Cc1ccc(C)n1C1CCN(c2ccncc2C(=O)[O-])CC1 ZINC000571169304 322291634 /nfs/dbraw/zinc/29/16/34/322291634.db2.gz MQBZZSMRYBOITL-UHFFFAOYSA-N -1 3 299.374 3.040 20 0 CGADHM CCc1cccc(C(=O)N2CCCC23CCC3)c1[O-] ZINC000571268810 322294508 /nfs/dbraw/zinc/29/45/08/322294508.db2.gz MUOCCALWCWNTHD-UHFFFAOYSA-N -1 3 259.349 3.113 20 0 CGADHM CCS[C@H]1CC[C@@H](N(C)Cc2ccoc2C(=O)[O-])C1 ZINC000571453271 322299172 /nfs/dbraw/zinc/29/91/72/322299172.db2.gz POBKFZBXXLYRDP-NEPJUHHUSA-N -1 3 283.393 3.084 20 0 CGADHM O=C(CCC1CCCC1)Nc1cc(F)ccc1[O-] ZINC000174875328 327024192 /nfs/dbraw/zinc/02/41/92/327024192.db2.gz DSYKSBJZXVMJLI-UHFFFAOYSA-N -1 3 251.301 3.440 20 0 CGADHM CC(=O)c1cccc(NC(=O)C[C@H]2CC[C@H](C)C2)c1[O-] ZINC000582610711 329116300 /nfs/dbraw/zinc/11/63/00/329116300.db2.gz VSDGLKHPCGYMAC-JQWIXIFHSA-N -1 3 275.348 3.360 20 0 CGADHM CCOc1nc2cc(C(=O)NC3(C4(C)CC4)CC3)ccc2[n-]1 ZINC000582709788 329133505 /nfs/dbraw/zinc/13/35/05/329133505.db2.gz QWEQODBIXUEDRU-UHFFFAOYSA-N -1 3 299.374 3.024 20 0 CGADHM CCOc1nc2ccc(C(=O)NC3(C4(C)CC4)CC3)cc2[n-]1 ZINC000582709788 329133506 /nfs/dbraw/zinc/13/35/06/329133506.db2.gz QWEQODBIXUEDRU-UHFFFAOYSA-N -1 3 299.374 3.024 20 0 CGADHM C[C@@H]1CCN(CCCCC(=O)[O-])[C@@H](c2ccco2)C1 ZINC000582850625 329279898 /nfs/dbraw/zinc/27/98/98/329279898.db2.gz AHXYLSGGIJONFD-CHWSQXEVSA-N -1 3 265.353 3.308 20 0 CGADHM Cc1nc(CC(C)C)oc1C(=O)Nc1cccc([O-])c1F ZINC000190916238 329554396 /nfs/dbraw/zinc/55/43/96/329554396.db2.gz ILPMOVWPBWVRDA-UHFFFAOYSA-N -1 3 292.310 3.279 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])c1ccccc1OC(F)F ZINC000174896561 335168986 /nfs/dbraw/zinc/16/89/86/335168986.db2.gz LTLCUQDBWWTNDG-UHFFFAOYSA-N -1 3 297.232 3.385 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2C[C@H](C)Oc3ccc(C)cc32)c1 ZINC000175051519 335171751 /nfs/dbraw/zinc/17/17/51/335171751.db2.gz MXENKKKJKLNTMR-ZDUSSCGKSA-N -1 3 297.354 3.437 20 0 CGADHM CC(F)(F)CNC(=O)CCc1ccc2ccccc2c1[O-] ZINC000576312986 335188343 /nfs/dbraw/zinc/18/83/43/335188343.db2.gz QRFQTYHIBLBISB-UHFFFAOYSA-N -1 3 293.313 3.249 20 0 CGADHM O=C(Nc1cc(C(F)(F)F)ccc1[O-])c1ccoc1 ZINC000175827299 335205666 /nfs/dbraw/zinc/20/56/66/335205666.db2.gz TYGQLLHWQMPSKK-UHFFFAOYSA-N -1 3 271.194 3.256 20 0 CGADHM CC[C@@H](CNC(=O)c1cccc([O-])c1)c1ccccc1 ZINC000176109350 335240226 /nfs/dbraw/zinc/24/02/26/335240226.db2.gz YGNXGHVPFGYCMA-ZDUSSCGKSA-N -1 3 269.344 3.316 20 0 CGADHM Cc1cc([C@H](C)N2CC[C@H](C)[C@@H](C)C2)oc1C(=O)[O-] ZINC000576761449 335245007 /nfs/dbraw/zinc/24/50/07/335245007.db2.gz MLSTXZUPPBJWTD-DLOVCJGASA-N -1 3 265.353 3.325 20 0 CGADHM C[C@@H]1CCCCN(Cc2ccc(C(=O)[O-])cc2F)C1 ZINC000576950077 335268622 /nfs/dbraw/zinc/26/86/22/335268622.db2.gz CBVGQFIVNGHFRU-LLVKDONJSA-N -1 3 265.328 3.146 20 0 CGADHM CCC[C@H]1CCCC[C@@H]1NC(=O)c1cccc(OC)c1[O-] ZINC000577477210 335356387 /nfs/dbraw/zinc/35/63/87/335356387.db2.gz RUNPOSNYELRQAB-JSGCOSHPSA-N -1 3 291.391 3.490 20 0 CGADHM COc1cc(-c2noc(-c3cc(C)oc3C)n2)ccc1[O-] ZINC000350568819 335514978 /nfs/dbraw/zinc/51/49/78/335514978.db2.gz KFVPWFMHDJOYNS-UHFFFAOYSA-N -1 3 286.287 3.328 20 0 CGADHM COc1cc(-c2noc(C(C)(C)OC(C)C)n2)ccc1[O-] ZINC000351053406 335562014 /nfs/dbraw/zinc/56/20/14/335562014.db2.gz OHZVWCOUNAPOBR-UHFFFAOYSA-N -1 3 292.335 3.111 20 0 CGADHM [O-]c1ccc(-c2noc(C[C@@H]3CC[C@@H]4C[C@@H]43)n2)cc1 ZINC000578903023 335687825 /nfs/dbraw/zinc/68/78/25/335687825.db2.gz WYLIUBKPOZUGHV-MDZLAQPJSA-N -1 3 256.305 3.031 20 0 CGADHM Cc1ccc2nccc(N3C[C@@H](C)[C@](C)(C(=O)[O-])C3)c2c1 ZINC000579359131 335739373 /nfs/dbraw/zinc/73/93/73/335739373.db2.gz FHXZPOBSFKAXBC-SJKOYZFVSA-N -1 3 284.359 3.090 20 0 CGADHM CCCN(Cc1cc(C(=O)[O-])ccc1Cl)C1CC1 ZINC000581554075 336102114 /nfs/dbraw/zinc/10/21/14/336102114.db2.gz REWXZEXMGZUMOS-UHFFFAOYSA-N -1 3 267.756 3.413 20 0 CGADHM CCc1cccc(C(=O)NC[C@H]2CCCC2(F)F)c1[O-] ZINC000581926011 336169376 /nfs/dbraw/zinc/16/93/76/336169376.db2.gz QVWOAXRDCHNIJU-LLVKDONJSA-N -1 3 283.318 3.120 20 0 CGADHM COc1ccc([O-])c(-c2nc(Cc3cccc(C)c3)no2)c1 ZINC000387327710 336192216 /nfs/dbraw/zinc/19/22/16/336192216.db2.gz UJJZIIKUXVZADN-UHFFFAOYSA-N -1 3 296.326 3.350 20 0 CGADHM CSC[C@@H]1CCCN1C(=O)c1ccc(C(C)C)cc1[O-] ZINC000436594914 533747183 /nfs/dbraw/zinc/74/71/83/533747183.db2.gz KHIFMHNGWQINPQ-ZDUSSCGKSA-N -1 3 293.432 3.483 20 0 CGADHM C[C@@H]1CCN(Cc2cc([O-])cc(F)c2)CC1(F)F ZINC000426391794 534038369 /nfs/dbraw/zinc/03/83/69/534038369.db2.gz SLDWEWYYAAKPPD-SECBINFHSA-N -1 3 259.271 3.008 20 0 CGADHM Cc1ccc(CNCc2cccc(C(=O)[O-])c2)cc1F ZINC000426699949 534072008 /nfs/dbraw/zinc/07/20/08/534072008.db2.gz NDXPNRQNTJRJAM-UHFFFAOYSA-N -1 3 273.307 3.122 20 0 CGADHM COc1ccc([O-])c(C(=O)N[C@H]2C[C@H](c3ccccc3)C2)c1 ZINC000437427647 534198078 /nfs/dbraw/zinc/19/80/78/534198078.db2.gz CFQMSKOXZJRBPQ-HDJSIYSDSA-N -1 3 297.354 3.077 20 0 CGADHM Cc1ccc(-c2nc(-c3ccn(C)c3)no2)c([O-])c1C ZINC000436880487 534205283 /nfs/dbraw/zinc/20/52/83/534205283.db2.gz JWPGBQHTYNIGGJ-UHFFFAOYSA-N -1 3 269.304 3.065 20 0 CGADHM Cc1ccc(-c2nc(-c3ccc(F)cn3)no2)c([O-])c1C ZINC000436564678 534205750 /nfs/dbraw/zinc/20/57/50/534205750.db2.gz RBFGAJIFQSHQFU-UHFFFAOYSA-N -1 3 285.278 3.260 20 0 CGADHM O=C(NCC1(C2CC2)CC1)c1cc([O-])ccc1C(F)(F)F ZINC000189340115 518199334 /nfs/dbraw/zinc/19/93/34/518199334.db2.gz YPJYCMLXNOUPNN-UHFFFAOYSA-N -1 3 299.292 3.331 20 0 CGADHM Cc1ccc2c(c1)CC[C@H]2NC(=O)c1ccc(C)cc1[O-] ZINC000436673689 534418390 /nfs/dbraw/zinc/41/83/90/534418390.db2.gz FXKLMRZERNCSLU-MRXNPFEDSA-N -1 3 281.355 3.426 20 0 CGADHM O=C([O-])[C@@H]1CC[C@H](NCc2ccc(Cl)cc2Cl)C1 ZINC000424627693 534524601 /nfs/dbraw/zinc/52/46/01/534524601.db2.gz VZORIUBZADOIED-KCJUWKMLSA-N -1 3 288.174 3.336 20 0 CGADHM Cc1cccc(C(=O)N2CCC(C)(C3CC3)CC2)c1[O-] ZINC000436601143 534586043 /nfs/dbraw/zinc/58/60/43/534586043.db2.gz BSSVFHIJKZLULR-UHFFFAOYSA-N -1 3 273.376 3.353 20 0 CGADHM CC(C)(C)CCO[N-]C(=O)/C=C/c1cnc2ccccc2n1 ZINC000492805777 534589211 /nfs/dbraw/zinc/58/92/11/534589211.db2.gz ZKSOTXRZEJCROR-CMDGGOBGSA-N -1 3 299.374 3.127 20 0 CGADHM Cc1cccc(C(=O)NCCc2cccc3[nH]ccc32)c1[O-] ZINC000436511786 534604784 /nfs/dbraw/zinc/60/47/84/534604784.db2.gz LNDXKAQVNBVIJH-UHFFFAOYSA-N -1 3 294.354 3.154 20 0 CGADHM Cc1cccc(C(=O)N[C@H]2CCCC(F)(F)C2)c1[O-] ZINC000436607745 534622669 /nfs/dbraw/zinc/62/26/69/534622669.db2.gz TZZRGRBCHBIIDR-JTQLQIEISA-N -1 3 269.291 3.008 20 0 CGADHM Cc1cncc(-c2noc(-c3ccc(C)c(C)c3[O-])n2)c1 ZINC000436888550 534668581 /nfs/dbraw/zinc/66/85/81/534668581.db2.gz NSJUZPXKEBWSGX-UHFFFAOYSA-N -1 3 281.315 3.429 20 0 CGADHM CC[C@@H]1CCCC[C@@H]1NC(=O)c1c[n-]c2ccccc2c1=O ZINC000097106668 523193332 /nfs/dbraw/zinc/19/33/32/523193332.db2.gz BPHWILSPVMITEQ-DOMZBBRYSA-N -1 3 298.386 3.227 20 0 CGADHM CCc1ccc(CNCc2nc(C)ccc2[O-])s1 ZINC000103342340 523944138 /nfs/dbraw/zinc/94/41/38/523944138.db2.gz UCWFXXPQKNPCQW-UHFFFAOYSA-N -1 3 262.378 3.009 20 0 CGADHM Cc1cccc([O-])c1NC(=O)[C@@H]1COc2cc(C)c(C)cc21 ZINC000186305387 524703545 /nfs/dbraw/zinc/70/35/45/524703545.db2.gz WHCLQENXXQRBHP-CQSZACIVSA-N -1 3 297.354 3.432 20 0 CGADHM CC(C)(C)[C@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC000436921817 526720670 /nfs/dbraw/zinc/72/06/70/526720670.db2.gz XFYRPGYZOGDJEN-LBPRGKRZSA-N -1 3 261.365 3.291 20 0 CGADHM CC(=O)c1ccc(C(=O)N[C@@H]2CC[C@H](C)[C@@H](C)C2)cc1[O-] ZINC000412242775 527262454 /nfs/dbraw/zinc/26/24/54/527262454.db2.gz ADFVGWQCQJVLED-COPLHBTASA-N -1 3 289.375 3.149 20 0 CGADHM O=[S@@](Cc1ncc(-c2ccccc2)o1)c1ccc([O-])cc1 ZINC000108086724 527424154 /nfs/dbraw/zinc/42/41/54/527424154.db2.gz PUYLFXLYEWQEJH-OAQYLSRUSA-N -1 3 299.351 3.355 20 0 CGADHM CC1(C)Cc2cc(NC(=O)c3c([O-])cccc3O)ccc2O1 ZINC000436648015 527775648 /nfs/dbraw/zinc/77/56/48/527775648.db2.gz OPXKMOGJCQCDMO-UHFFFAOYSA-N -1 3 299.326 3.064 20 0 CGADHM CCCN(CC(F)F)C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436541522 527935883 /nfs/dbraw/zinc/93/58/83/527935883.db2.gz VYEFNNLQFSASPQ-UHFFFAOYSA-N -1 3 297.345 3.388 20 0 CGADHM CC(C)c1ccc(C(=O)N(C)[C@H]2CC2(C)C)c([O-])c1 ZINC000436822634 528059187 /nfs/dbraw/zinc/05/91/87/528059187.db2.gz PZPWOBDCUOXOKK-AWEZNQCLSA-N -1 3 261.365 3.386 20 0 CGADHM CC(C)c1ccc(C(=O)N2C[C@@H](C)C[C@H]2C)c([O-])c1 ZINC000436562917 528065976 /nfs/dbraw/zinc/06/59/76/528065976.db2.gz KZQJAQGVAGXIMY-NWDGAFQWSA-N -1 3 261.365 3.386 20 0 CGADHM CC(C)c1ccc(C(=O)N[C@H]2CC[C@@H](F)C2)c([O-])c1 ZINC000436745123 528078127 /nfs/dbraw/zinc/07/81/27/528078127.db2.gz SGZKXTJGJNCQTC-NEPJUHHUSA-N -1 3 265.328 3.136 20 0 CGADHM CCC[C@H]1CCC[C@@H]1C(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000448892467 528380232 /nfs/dbraw/zinc/38/02/32/528380232.db2.gz CDGJAZDALOLDRS-QWRGUYRKSA-N -1 3 288.351 3.220 20 0 CGADHM CCC[C@H]1CCC[C@@H]1C(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000448892467 528380238 /nfs/dbraw/zinc/38/02/38/528380238.db2.gz CDGJAZDALOLDRS-QWRGUYRKSA-N -1 3 288.351 3.220 20 0 CGADHM CCC[C@H]1CCC[C@@H]1C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000448892467 528380243 /nfs/dbraw/zinc/38/02/43/528380243.db2.gz CDGJAZDALOLDRS-QWRGUYRKSA-N -1 3 288.351 3.220 20 0 CGADHM CC(C)[C@@H](C)N(C(=O)Cc1ccc([O-])c(F)c1)C1CC1 ZINC000448794265 528398697 /nfs/dbraw/zinc/39/86/97/528398697.db2.gz URDJROLOWZJJFK-LLVKDONJSA-N -1 3 279.355 3.109 20 0 CGADHM CC(C)[C@@H](C)SCC(=O)Nc1ccccc1[O-] ZINC000358929213 528422918 /nfs/dbraw/zinc/42/29/18/528422918.db2.gz YGDXXRHTBBBOGT-SNVBAGLBSA-N -1 3 253.367 3.108 20 0 CGADHM CCC[C@H]1SCCN1C(=O)c1cc(C)ccc1[O-] ZINC000436549397 528440076 /nfs/dbraw/zinc/44/00/76/528440076.db2.gz PSHDCSIVIDAPCL-CYBMUJFWSA-N -1 3 265.378 3.016 20 0 CGADHM CCCCOC1CCN(C(=O)c2cccc(C)c2[O-])CC1 ZINC000436577105 528570294 /nfs/dbraw/zinc/57/02/94/528570294.db2.gz STCBWLZCIUGNOX-UHFFFAOYSA-N -1 3 291.391 3.122 20 0 CGADHM CCC(CC)(CC)[S@@](=O)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000414234476 528638709 /nfs/dbraw/zinc/63/87/09/528638709.db2.gz CNVHAIYHIQUGAE-FQEVSTJZSA-N -1 3 296.436 3.277 20 0 CGADHM CC(F)(F)c1ccc(CNC(=O)c2ccccc2[O-])cc1 ZINC000436945206 528738073 /nfs/dbraw/zinc/73/80/73/528738073.db2.gz MMIPFYAGGLZNLX-UHFFFAOYSA-N -1 3 291.297 3.434 20 0 CGADHM CCC[C@@H](Cc1ccccc1)NC(=O)c1c([O-])cccc1O ZINC000436650594 528962265 /nfs/dbraw/zinc/96/22/65/528962265.db2.gz XBOPGLOSWSCOGV-AWEZNQCLSA-N -1 3 299.370 3.239 20 0 CGADHM CC(C)[C@H](CC(=O)[O-])NCc1cc(Cl)ccc1F ZINC000426784815 528975608 /nfs/dbraw/zinc/97/56/08/528975608.db2.gz SWNSXANCDRWGAW-LBPRGKRZSA-N -1 3 273.735 3.068 20 0 CGADHM CC1(C)CC[C@H](C(=O)Nc2cc(F)ccc2[O-])C1 ZINC000359358700 529037650 /nfs/dbraw/zinc/03/76/50/529037650.db2.gz IHJBEIKYJYZMMD-VIFPVBQESA-N -1 3 251.301 3.296 20 0 CGADHM CC[C@@H](NCc1cc(=O)[n-]c(C2CC2)n1)c1ccccc1 ZINC000411890817 529181688 /nfs/dbraw/zinc/18/16/88/529181688.db2.gz JODYVOCROQFOIU-OAHLLOKOSA-N -1 3 283.375 3.301 20 0 CGADHM CCSCC[C@H](C)NC(=O)c1ccc([O-])c(CC)c1 ZINC000436698057 529194483 /nfs/dbraw/zinc/19/44/83/529194483.db2.gz LLIRKGQXBISOQZ-NSHDSACASA-N -1 3 281.421 3.216 20 0 CGADHM CC[C@H]1CCCC[C@H]1NC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000411400770 529211009 /nfs/dbraw/zinc/21/10/09/529211009.db2.gz OQNLGQGUAMFVDD-SWLSCSKDSA-N -1 3 289.375 3.293 20 0 CGADHM CCS[C@@H]1CCC[C@H](NC(=O)c2ccccc2[O-])C1 ZINC000436727871 529216494 /nfs/dbraw/zinc/21/64/94/529216494.db2.gz DQHUPVKXEATLSU-NWDGAFQWSA-N -1 3 279.405 3.186 20 0 CGADHM CC[C@H](C)n1ncc(C(=O)Nc2c(C)cccc2[O-])c1C ZINC000359912897 529291096 /nfs/dbraw/zinc/29/10/96/529291096.db2.gz RNKRSAUECGDQAZ-NSHDSACASA-N -1 3 287.363 3.429 20 0 CGADHM COc1cc(C)c(NC(=O)/C=C/c2cncc([O-])c2)cc1C ZINC000493657661 536579775 /nfs/dbraw/zinc/57/97/75/536579775.db2.gz KPRNXFHBNYQAGJ-SNAWJCMRSA-N -1 3 298.342 3.065 20 0 CGADHM CC[C@@H](CC(F)(F)F)C(=O)Nc1ccc(OC)cc1[O-] ZINC000451026382 571717809 /nfs/dbraw/zinc/71/78/09/571717809.db2.gz NJJXJZVSHMXXJY-QMMMGPOBSA-N -1 3 291.269 3.318 20 0 CGADHM CCC[C@H]([N-]C(=O)C(F)(F)F)C1CCCCC1 ZINC000729373038 571902543 /nfs/dbraw/zinc/90/25/43/571902543.db2.gz DHHDPVZMQHFEEO-JTQLQIEISA-N -1 3 251.292 3.414 20 0 CGADHM Cc1ccc2c(c1)[C@@H](Nc1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000737372279 572339337 /nfs/dbraw/zinc/33/93/37/572339337.db2.gz WRZLZAOSRDWEPD-INIZCTEOSA-N -1 3 291.358 3.275 20 0 CGADHM Cc1ccc2c(c1)[C@@H](Nc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000737372279 572339339 /nfs/dbraw/zinc/33/93/39/572339339.db2.gz WRZLZAOSRDWEPD-INIZCTEOSA-N -1 3 291.358 3.275 20 0 CGADHM Cc1ccccc1N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737435147 572343169 /nfs/dbraw/zinc/34/31/69/572343169.db2.gz HSNUMCBOIGDTQY-GFCCVEGCSA-N -1 3 279.347 3.348 20 0 CGADHM Cc1ccccc1N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737435147 572343170 /nfs/dbraw/zinc/34/31/70/572343170.db2.gz HSNUMCBOIGDTQY-GFCCVEGCSA-N -1 3 279.347 3.348 20 0 CGADHM Clc1cc(N[C@@H]2CC=CCC2)ccc1-c1nnn[n-]1 ZINC000737563021 572348325 /nfs/dbraw/zinc/34/83/25/572348325.db2.gz CKBLWEYAYNMVMM-SECBINFHSA-N -1 3 275.743 3.041 20 0 CGADHM Clc1cc(N[C@@H]2CC=CCC2)ccc1-c1nn[n-]n1 ZINC000737563021 572348327 /nfs/dbraw/zinc/34/83/27/572348327.db2.gz CKBLWEYAYNMVMM-SECBINFHSA-N -1 3 275.743 3.041 20 0 CGADHM Fc1cc(-c2nnn[n-]2)ccc1SC1CCCCC1 ZINC000737644788 572360014 /nfs/dbraw/zinc/36/00/14/572360014.db2.gz LZZVAUKHYINEDL-UHFFFAOYSA-N -1 3 278.356 3.431 20 0 CGADHM Fc1cc(-c2nn[n-]n2)ccc1SC1CCCCC1 ZINC000737644788 572360018 /nfs/dbraw/zinc/36/00/18/572360018.db2.gz LZZVAUKHYINEDL-UHFFFAOYSA-N -1 3 278.356 3.431 20 0 CGADHM Fc1cc(-c2nnn[n-]2)ccc1N[C@@H]1CCc2ccccc21 ZINC000737640772 572360207 /nfs/dbraw/zinc/36/02/07/572360207.db2.gz PWYPPTAERZNXGD-CQSZACIVSA-N -1 3 295.321 3.105 20 0 CGADHM Fc1cc(-c2nn[n-]n2)ccc1N[C@@H]1CCc2ccccc21 ZINC000737640772 572360209 /nfs/dbraw/zinc/36/02/09/572360209.db2.gz PWYPPTAERZNXGD-CQSZACIVSA-N -1 3 295.321 3.105 20 0 CGADHM CC[C@@H](c1ccc(F)cc1)N1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000739279020 572407329 /nfs/dbraw/zinc/40/73/29/572407329.db2.gz PRKZTEUXOSQGKR-WFASDCNBSA-N -1 3 294.370 3.209 20 0 CGADHM C[C@@H](NCc1ccccc1Cl)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739030634 572409351 /nfs/dbraw/zinc/40/93/51/572409351.db2.gz ARERTDYYWARIOW-DGCLKSJQSA-N -1 3 296.798 3.208 20 0 CGADHM O=C([O-])N1CCC[C@@H](CN(Cc2cccs2)C2CC2)C1 ZINC000740510037 572443386 /nfs/dbraw/zinc/44/33/86/572443386.db2.gz DQAOTWADXQZFKR-GFCCVEGCSA-N -1 3 294.420 3.103 20 0 CGADHM C[C@H](c1ccc(F)cc1)N1CCC(CN(C)C(=O)[O-])CC1 ZINC000739059630 572457999 /nfs/dbraw/zinc/45/79/99/572457999.db2.gz SYTGJBLUMKLSBS-GFCCVEGCSA-N -1 3 294.370 3.209 20 0 CGADHM CO[N-]C(=O)C[C@@H](Cc1ccccc1)c1ccccc1 ZINC000742043270 572550581 /nfs/dbraw/zinc/55/05/81/572550581.db2.gz YIKYJGGQZNDTJK-MRXNPFEDSA-N -1 3 269.344 3.081 20 0 CGADHM O=c1ccnc(C=Cc2cccc(C(F)(F)F)c2)[n-]1 ZINC000742221805 572559188 /nfs/dbraw/zinc/55/91/88/572559188.db2.gz UABIREHYGCIPNM-SNAWJCMRSA-N -1 3 266.222 3.371 20 0 CGADHM CC(C)[C@H](C)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000735708684 572738391 /nfs/dbraw/zinc/73/83/91/572738391.db2.gz NJOUFZFUSKCRIJ-QMMMGPOBSA-N -1 3 299.300 3.342 20 0 CGADHM CC(C)[C@H](C)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000735708684 572738396 /nfs/dbraw/zinc/73/83/96/572738396.db2.gz NJOUFZFUSKCRIJ-QMMMGPOBSA-N -1 3 299.300 3.342 20 0 CGADHM CC(C)[C@@H](C)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000735708682 572738432 /nfs/dbraw/zinc/73/84/32/572738432.db2.gz NJOUFZFUSKCRIJ-MRVPVSSYSA-N -1 3 299.300 3.342 20 0 CGADHM CC(C)[C@@H](C)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000735708682 572738437 /nfs/dbraw/zinc/73/84/37/572738437.db2.gz NJOUFZFUSKCRIJ-MRVPVSSYSA-N -1 3 299.300 3.342 20 0 CGADHM C[C@@H](OC(=O)c1cc2ccsc2[n-]1)C(F)(F)F ZINC000744335073 572742068 /nfs/dbraw/zinc/74/20/68/572742068.db2.gz DVQYYHVTVZQTML-RXMQYKEDSA-N -1 3 263.240 3.337 20 0 CGADHM CC(C)CCSCc1cccc(-c2nnn[n-]2)c1 ZINC000735820822 572742730 /nfs/dbraw/zinc/74/27/30/572742730.db2.gz XAMBHZYPNBLXNO-UHFFFAOYSA-N -1 3 262.382 3.146 20 0 CGADHM CC(C)CCSCc1cccc(-c2nn[n-]n2)c1 ZINC000735820822 572742733 /nfs/dbraw/zinc/74/27/33/572742733.db2.gz XAMBHZYPNBLXNO-UHFFFAOYSA-N -1 3 262.382 3.146 20 0 CGADHM C[C@@H]1CC[C@H](Nc2ccc(-c3nnn[n-]3)cc2)[C@@H](C)C1 ZINC000736242175 572774344 /nfs/dbraw/zinc/77/43/44/572774344.db2.gz PXLZYURHAMUFGB-SUNKGSAMSA-N -1 3 271.368 3.103 20 0 CGADHM C[C@@H]1CC[C@H](Nc2ccc(-c3nn[n-]n3)cc2)[C@@H](C)C1 ZINC000736242175 572774348 /nfs/dbraw/zinc/77/43/48/572774348.db2.gz PXLZYURHAMUFGB-SUNKGSAMSA-N -1 3 271.368 3.103 20 0 CGADHM CCC[C@@H](C)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736425266 572789329 /nfs/dbraw/zinc/78/93/29/572789329.db2.gz VCXVQRFIIFAAQQ-MRVPVSSYSA-N -1 3 265.748 3.121 20 0 CGADHM CCC[C@@H](C)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736425266 572789333 /nfs/dbraw/zinc/78/93/33/572789333.db2.gz VCXVQRFIIFAAQQ-MRVPVSSYSA-N -1 3 265.748 3.121 20 0 CGADHM CCCC[C@@H]1CCC[C@@H]1Nc1ccc(-c2nnn[n-]2)cn1 ZINC000736441313 572792577 /nfs/dbraw/zinc/79/25/77/572792577.db2.gz PGVNEUSVHHJXSU-YPMHNXCESA-N -1 3 286.383 3.033 20 0 CGADHM CCCC[C@@H]1CCC[C@@H]1Nc1ccc(-c2nn[n-]n2)cn1 ZINC000736441313 572792580 /nfs/dbraw/zinc/79/25/80/572792580.db2.gz PGVNEUSVHHJXSU-YPMHNXCESA-N -1 3 286.383 3.033 20 0 CGADHM CCCC[C@H]1CCC[C@H]1Nc1ccc(-c2nnn[n-]2)cn1 ZINC000736441312 572792726 /nfs/dbraw/zinc/79/27/26/572792726.db2.gz PGVNEUSVHHJXSU-WCQYABFASA-N -1 3 286.383 3.033 20 0 CGADHM CCCC[C@H]1CCC[C@H]1Nc1ccc(-c2nn[n-]n2)cn1 ZINC000736441312 572792729 /nfs/dbraw/zinc/79/27/29/572792729.db2.gz PGVNEUSVHHJXSU-WCQYABFASA-N -1 3 286.383 3.033 20 0 CGADHM CCc1ccc(COc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736688761 572805656 /nfs/dbraw/zinc/80/56/56/572805656.db2.gz FOCYSMPXRNKWQJ-UHFFFAOYSA-N -1 3 280.331 3.008 20 0 CGADHM CCc1ccc(COc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736688761 572805661 /nfs/dbraw/zinc/80/56/61/572805661.db2.gz FOCYSMPXRNKWQJ-UHFFFAOYSA-N -1 3 280.331 3.008 20 0 CGADHM O=C(C[C@@H]1C=CCC1)Nc1ccc(Br)cc1[O-] ZINC000075472679 572878425 /nfs/dbraw/zinc/87/84/25/572878425.db2.gz IDKIGXOGIXNXHI-SECBINFHSA-N -1 3 296.164 3.450 20 0 CGADHM Cc1ccc(CC(=O)[N-]OCc2c(C)cccc2C)cc1 ZINC000747833878 572951280 /nfs/dbraw/zinc/95/12/80/572951280.db2.gz BEFLGZXNDCWVQU-UHFFFAOYSA-N -1 3 283.371 3.402 20 0 CGADHM CC(C)CCO[C@H](C)C(=O)[N-]c1cc(C(F)(F)F)no1 ZINC000747986128 572957263 /nfs/dbraw/zinc/95/72/63/572957263.db2.gz LKCQQRMKIBUQQI-MRVPVSSYSA-N -1 3 294.273 3.083 20 0 CGADHM O=C([N-]Cc1cc2c(s1)CCCC2)C(F)(F)C(F)F ZINC000749349266 572992411 /nfs/dbraw/zinc/99/24/11/572992411.db2.gz FBQYJGIEFBHCGM-UHFFFAOYSA-N -1 3 295.301 3.144 20 0 CGADHM Cc1cscc1C(=O)Nc1n[n-]c(-c2cccs2)n1 ZINC000749372254 572994076 /nfs/dbraw/zinc/99/40/76/572994076.db2.gz FNPROZLZAKQMSY-UHFFFAOYSA-N -1 3 290.373 3.155 20 0 CGADHM C[C@@H]1CC(C)(C)CC[C@@H]1[N-]C(=O)C(F)(F)C(F)F ZINC000749417665 573003759 /nfs/dbraw/zinc/00/37/59/573003759.db2.gz GEBHWDJEWBEKMU-SFYZADRCSA-N -1 3 269.282 3.218 20 0 CGADHM CC(C)CCSc1cccc(F)c1-c1nnn[n-]1 ZINC000820081712 599089855 /nfs/dbraw/zinc/08/98/55/599089855.db2.gz RWVMKAIWLZEIPQ-UHFFFAOYSA-N -1 3 266.345 3.144 20 0 CGADHM c1cnc(NCCCCC2CCCC2)c(-c2nnn[n-]2)c1 ZINC000823808766 599094994 /nfs/dbraw/zinc/09/49/94/599094994.db2.gz FHHQZDWSLBVNOU-UHFFFAOYSA-N -1 3 286.383 3.034 20 0 CGADHM c1cnc(NCCCCC2CCCC2)c(-c2nn[n-]n2)c1 ZINC000823808766 599094997 /nfs/dbraw/zinc/09/49/97/599094997.db2.gz FHHQZDWSLBVNOU-UHFFFAOYSA-N -1 3 286.383 3.034 20 0 CGADHM CC(C)[C@H](C)SCc1ccc(-c2nnn[n-]2)cc1F ZINC000820021615 599129697 /nfs/dbraw/zinc/12/96/97/599129697.db2.gz XDGNYGZEUQGOCY-VIFPVBQESA-N -1 3 280.372 3.284 20 0 CGADHM CC(C)[C@H](C)SCc1ccc(-c2nn[n-]n2)cc1F ZINC000820021615 599129698 /nfs/dbraw/zinc/12/96/98/599129698.db2.gz XDGNYGZEUQGOCY-VIFPVBQESA-N -1 3 280.372 3.284 20 0 CGADHM CC(C)[C@H](C)SCCOc1cccc(-c2nnn[n-]2)c1 ZINC000820021703 599130135 /nfs/dbraw/zinc/13/01/35/599130135.db2.gz XPULZEKNDIZKRI-NSHDSACASA-N -1 3 292.408 3.023 20 0 CGADHM CC(C)[C@H](C)SCCOc1cccc(-c2nn[n-]n2)c1 ZINC000820021703 599130136 /nfs/dbraw/zinc/13/01/36/599130136.db2.gz XPULZEKNDIZKRI-NSHDSACASA-N -1 3 292.408 3.023 20 0 CGADHM O=C([O-])c1ccc(CN[C@@H]2CCc3cc(F)ccc32)cc1 ZINC000819676052 597245298 /nfs/dbraw/zinc/24/52/98/597245298.db2.gz FLQHGDYCWBSGSQ-MRXNPFEDSA-N -1 3 285.318 3.301 20 0 CGADHM CC(C)(C)c1csc(CNC2CCC(C(=O)[O-])CC2)n1 ZINC000094969227 598104858 /nfs/dbraw/zinc/10/48/58/598104858.db2.gz KFPINXUOMUEQCW-UHFFFAOYSA-N -1 3 296.436 3.174 20 0 CGADHM Cc1cc(C)cc(CNc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000822196454 607332925 /nfs/dbraw/zinc/33/29/25/607332925.db2.gz KEWZIDNTSMBVIA-UHFFFAOYSA-N -1 3 297.337 3.235 20 0 CGADHM Clc1cccc(NC2CCCCC2)c1-c1nnn[n-]1 ZINC000737573256 598493408 /nfs/dbraw/zinc/49/34/08/598493408.db2.gz DOPOTMYYAGNJLK-UHFFFAOYSA-N -1 3 277.759 3.265 20 0 CGADHM Clc1cccc(NC2CCCCC2)c1-c1nn[n-]n1 ZINC000737573256 598493409 /nfs/dbraw/zinc/49/34/09/598493409.db2.gz DOPOTMYYAGNJLK-UHFFFAOYSA-N -1 3 277.759 3.265 20 0 CGADHM CCCN(C(=O)[O-])[C@H]1CCCN(Cc2ccccc2)C1 ZINC000737008358 599702624 /nfs/dbraw/zinc/70/26/24/599702624.db2.gz HMXZAMNTUYGPHA-HNNXBMFYSA-N -1 3 276.380 3.041 20 0 CGADHM CC[C@](C)(NCc1nc(-c2cccs2)oc1C)C(=O)[O-] ZINC000094228545 600560103 /nfs/dbraw/zinc/56/01/03/600560103.db2.gz MKOBQKVWPISYJB-AWEZNQCLSA-N -1 3 294.376 3.054 20 0 CGADHM C/C(=C\CN(C)Cc1ccccc1C(F)(F)F)C(=O)[O-] ZINC000825729743 601048526 /nfs/dbraw/zinc/04/85/26/601048526.db2.gz MAIBULROUZNDEJ-JXMROGBWSA-N -1 3 287.281 3.168 20 0 CGADHM CCc1ccc([C@@H]2CCCN2C/C=C(\C)C(=O)[O-])o1 ZINC000830239131 601169136 /nfs/dbraw/zinc/16/91/36/601169136.db2.gz WMRMRMPMVVQKIG-YKWSONSWSA-N -1 3 263.337 3.010 20 0 CGADHM C[C@H](c1ccc2ccccc2c1)N1CC[C@@](F)(C(=O)[O-])C1 ZINC000827943094 601435817 /nfs/dbraw/zinc/43/58/17/601435817.db2.gz XKLZONYBTKIWLD-PXAZEXFGSA-N -1 3 287.334 3.399 20 0 CGADHM O=C([O-])c1cc(CNC2(c3ccc(Cl)cc3)CC2)c[nH]1 ZINC000833296757 601833983 /nfs/dbraw/zinc/83/39/83/601833983.db2.gz UXQZPCZFMICQSY-UHFFFAOYSA-N -1 3 290.750 3.145 20 0 CGADHM Cc1cc(C)c(CNCc2ccc(NC(=O)[O-])nc2)c(C)c1 ZINC000829986687 603544429 /nfs/dbraw/zinc/54/44/29/603544429.db2.gz RZHVDQXKCDICIQ-UHFFFAOYSA-N -1 3 299.374 3.387 20 0 CGADHM C[C@@H](C1CC1)N(C)Cc1cc(C(=O)[O-])ccc1Cl ZINC000833514507 605829813 /nfs/dbraw/zinc/82/98/13/605829813.db2.gz ZICOLYYBEOSDTR-VIFPVBQESA-N -1 3 267.756 3.269 20 0 CGADHM Fc1ccccc1CSc1cccc(-c2nnn[n-]2)c1 ZINC000822796442 606327802 /nfs/dbraw/zinc/32/78/02/606327802.db2.gz RCNSMXXOFIMIME-UHFFFAOYSA-N -1 3 286.335 3.298 20 0 CGADHM Fc1ccccc1CSc1cccc(-c2nn[n-]n2)c1 ZINC000822796442 606327804 /nfs/dbraw/zinc/32/78/04/606327804.db2.gz RCNSMXXOFIMIME-UHFFFAOYSA-N -1 3 286.335 3.298 20 0 CGADHM CC1(CNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CC1 ZINC000820623141 606423406 /nfs/dbraw/zinc/42/34/06/606423406.db2.gz GICRDTQKLRJQME-UHFFFAOYSA-N -1 3 297.284 3.098 20 0 CGADHM CC1(CNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CC1 ZINC000820623141 606423407 /nfs/dbraw/zinc/42/34/07/606423407.db2.gz GICRDTQKLRJQME-UHFFFAOYSA-N -1 3 297.284 3.098 20 0 CGADHM Clc1ccccc1NCc1cccc(-c2nnn[n-]2)c1 ZINC000822590725 606606755 /nfs/dbraw/zinc/60/67/55/606606755.db2.gz NYIPAVQMYGAYFZ-UHFFFAOYSA-N -1 3 285.738 3.132 20 0 CGADHM Clc1ccccc1NCc1cccc(-c2nn[n-]n2)c1 ZINC000822590725 606606757 /nfs/dbraw/zinc/60/67/57/606606757.db2.gz NYIPAVQMYGAYFZ-UHFFFAOYSA-N -1 3 285.738 3.132 20 0 CGADHM Cc1cc(-c2nn[n-]n2)cc(C)c1OC/C(Cl)=C/Cl ZINC000822130561 606839117 /nfs/dbraw/zinc/83/91/17/606839117.db2.gz VYVIDDATOAZTKR-YHYXMXQVSA-N -1 3 299.161 3.181 20 0 CGADHM CC(C)Sc1ccc(-c2nnn[n-]2)cc1Cl ZINC000095200919 606850766 /nfs/dbraw/zinc/85/07/66/606850766.db2.gz QTOKEXOLIZJOIK-UHFFFAOYSA-N -1 3 254.746 3.021 20 0 CGADHM CC(C)Sc1ccc(-c2nn[n-]n2)cc1Cl ZINC000095200919 606850767 /nfs/dbraw/zinc/85/07/67/606850767.db2.gz QTOKEXOLIZJOIK-UHFFFAOYSA-N -1 3 254.746 3.021 20 0 CGADHM Cl/C=C(\Cl)CSc1ccccc1-c1nnn[n-]1 ZINC000822563205 606868989 /nfs/dbraw/zinc/86/89/89/606868989.db2.gz HGJQUOXFJIXEFT-ALCCZGGFSA-N -1 3 287.175 3.278 20 0 CGADHM Cl/C=C(\Cl)CSc1ccccc1-c1nn[n-]n1 ZINC000822563205 606868991 /nfs/dbraw/zinc/86/89/91/606868991.db2.gz HGJQUOXFJIXEFT-ALCCZGGFSA-N -1 3 287.175 3.278 20 0 CGADHM CC(C)(C)OCCCSc1cccc(-c2nnn[n-]2)c1 ZINC000819951891 607011820 /nfs/dbraw/zinc/01/18/20/607011820.db2.gz ZXVWRJMAZKYMSL-UHFFFAOYSA-N -1 3 292.408 3.164 20 0 CGADHM CC(C)(C)OCCCSc1cccc(-c2nn[n-]n2)c1 ZINC000819951891 607011821 /nfs/dbraw/zinc/01/18/21/607011821.db2.gz ZXVWRJMAZKYMSL-UHFFFAOYSA-N -1 3 292.408 3.164 20 0 CGADHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000820294495 607236492 /nfs/dbraw/zinc/23/64/92/607236492.db2.gz TWKIKLSVQVWCCI-LBPRGKRZSA-N -1 3 280.331 3.049 20 0 CGADHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000820294495 607236493 /nfs/dbraw/zinc/23/64/93/607236493.db2.gz TWKIKLSVQVWCCI-LBPRGKRZSA-N -1 3 280.331 3.049 20 0 CGADHM C[C@@H](COc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000820291957 607236545 /nfs/dbraw/zinc/23/65/45/607236545.db2.gz AZQFWZZEVLJKOQ-LBPRGKRZSA-N -1 3 280.331 3.049 20 0 CGADHM C[C@@H](COc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000820291957 607236546 /nfs/dbraw/zinc/23/65/46/607236546.db2.gz AZQFWZZEVLJKOQ-LBPRGKRZSA-N -1 3 280.331 3.049 20 0 CGADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc[nH]1 ZINC000824647992 608016785 /nfs/dbraw/zinc/01/67/85/608016785.db2.gz CQMNHXKAGQNJJV-MRVPVSSYSA-N -1 3 288.742 3.021 20 0 CGADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc[nH]1 ZINC000824647992 608016786 /nfs/dbraw/zinc/01/67/86/608016786.db2.gz CQMNHXKAGQNJJV-MRVPVSSYSA-N -1 3 288.742 3.021 20 0 CGADHM Clc1ccc(NCc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000826352766 608101294 /nfs/dbraw/zinc/10/12/94/608101294.db2.gz NGDXGHGSTSIZBO-UHFFFAOYSA-N -1 3 291.767 3.194 20 0 CGADHM Clc1ccc(NCc2cc(-c3nn[n-]n3)cs2)cc1 ZINC000826352766 608101295 /nfs/dbraw/zinc/10/12/95/608101295.db2.gz NGDXGHGSTSIZBO-UHFFFAOYSA-N -1 3 291.767 3.194 20 0 CGADHM c1sc(CNc2ccc(C3CC3)cc2)cc1-c1nnn[n-]1 ZINC000826514924 608252573 /nfs/dbraw/zinc/25/25/73/608252573.db2.gz HNUAMZVDHFJQSD-UHFFFAOYSA-N -1 3 297.387 3.418 20 0 CGADHM c1sc(CNc2ccc(C3CC3)cc2)cc1-c1nn[n-]n1 ZINC000826514924 608252575 /nfs/dbraw/zinc/25/25/75/608252575.db2.gz HNUAMZVDHFJQSD-UHFFFAOYSA-N -1 3 297.387 3.418 20 0 CGADHM c1noc(C2CC2)c1CSc1cccc(-c2nnn[n-]2)c1 ZINC000826517544 608292109 /nfs/dbraw/zinc/29/21/09/608292109.db2.gz HLXQDHGXSJIOKE-UHFFFAOYSA-N -1 3 299.359 3.024 20 0 CGADHM c1noc(C2CC2)c1CSc1cccc(-c2nn[n-]n2)c1 ZINC000826517544 608292111 /nfs/dbraw/zinc/29/21/11/608292111.db2.gz HLXQDHGXSJIOKE-UHFFFAOYSA-N -1 3 299.359 3.024 20 0 CGADHM C[C@@H]1CCN(c2ccc(-c3nnn[n-]3)c(Cl)c2)C[C@H]1C ZINC000824961750 608302577 /nfs/dbraw/zinc/30/25/77/608302577.db2.gz HTDNDNNXGHOYFP-NXEZZACHSA-N -1 3 291.786 3.002 20 0 CGADHM C[C@@H]1CCN(c2ccc(-c3nn[n-]n3)c(Cl)c2)C[C@H]1C ZINC000824961750 608302579 /nfs/dbraw/zinc/30/25/79/608302579.db2.gz HTDNDNNXGHOYFP-NXEZZACHSA-N -1 3 291.786 3.002 20 0 CGADHM Cc1ccc(NCc2cccc(-c3nnn[n-]3)c2F)c(C)c1 ZINC000826291527 608479390 /nfs/dbraw/zinc/47/93/90/608479390.db2.gz KEFGMKRZGWXXNB-UHFFFAOYSA-N -1 3 297.337 3.235 20 0 CGADHM Cc1ccc(NCc2cccc(-c3nn[n-]n3)c2F)c(C)c1 ZINC000826291527 608479391 /nfs/dbraw/zinc/47/93/91/608479391.db2.gz KEFGMKRZGWXXNB-UHFFFAOYSA-N -1 3 297.337 3.235 20 0 CGADHM Cc1ccc(F)cc1CNc1cccc(-c2nnn[n-]2)c1C ZINC000826289441 609489492 /nfs/dbraw/zinc/48/94/92/609489492.db2.gz ACAADJDXFDYCCL-UHFFFAOYSA-N -1 3 297.337 3.235 20 0 CGADHM Cc1ccc(F)cc1CNc1cccc(-c2nn[n-]n2)c1C ZINC000826289441 609489493 /nfs/dbraw/zinc/48/94/93/609489493.db2.gz ACAADJDXFDYCCL-UHFFFAOYSA-N -1 3 297.337 3.235 20 0 CGADHM Cc1cc(C=Cc2ccc(-c3nnn[n-]3)cn2)ccc1Cl ZINC000826266179 609507052 /nfs/dbraw/zinc/50/70/52/609507052.db2.gz FUGKYOIUDNMFBV-DJWKRKHSSA-N -1 3 297.749 3.394 20 0 CGADHM Cc1cc(C=Cc2ccc(-c3nn[n-]n3)cn2)ccc1Cl ZINC000826266179 609507054 /nfs/dbraw/zinc/50/70/54/609507054.db2.gz FUGKYOIUDNMFBV-DJWKRKHSSA-N -1 3 297.749 3.394 20 0 CGADHM c1ccc2c(c1)CC[C@H]2CNc1cccc(-c2nnn[n-]2)c1 ZINC000826517211 609511347 /nfs/dbraw/zinc/51/13/47/609511347.db2.gz VFERFQVQUVZVET-AWEZNQCLSA-N -1 3 291.358 3.009 20 0 CGADHM c1ccc2c(c1)CC[C@H]2CNc1cccc(-c2nn[n-]n2)c1 ZINC000826517211 609511349 /nfs/dbraw/zinc/51/13/49/609511349.db2.gz VFERFQVQUVZVET-AWEZNQCLSA-N -1 3 291.358 3.009 20 0 CGADHM C[C@@H](Cl)c1nc(=O)c2c3ccccc3sc2[n-]1 ZINC000077251872 617761927 /nfs/dbraw/zinc/76/19/27/617761927.db2.gz VEIDEOJIFVSCJA-ZCFIWIBFSA-N -1 3 264.737 3.438 20 0 CGADHM CSCC(C)(C)NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000890873214 617885673 /nfs/dbraw/zinc/88/56/73/617885673.db2.gz BAVGMPGYEIYNRM-UHFFFAOYSA-N -1 3 299.411 3.112 20 0 CGADHM Cc1oc(CN2CCC3(CCC3)CC2)cc1C(=O)[O-] ZINC000308409313 618216902 /nfs/dbraw/zinc/21/69/02/618216902.db2.gz AGLBQAVUTFAJFO-UHFFFAOYSA-N -1 3 263.337 3.052 20 0 CGADHM CC1(C)C[C@H](OC(=O)c2cc(Cl)c(Cl)[n-]2)CO1 ZINC000849673078 618703069 /nfs/dbraw/zinc/70/30/69/618703069.db2.gz QAEPINYVAYBXHV-LURJTMIESA-N -1 3 278.135 3.046 20 0 CGADHM C[C@@H]1CSCCN1Cc1c([O-])ccc(Cl)c1F ZINC000191361688 618772794 /nfs/dbraw/zinc/77/27/94/618772794.db2.gz YXUYURXBWCQVFC-MRVPVSSYSA-N -1 3 275.776 3.122 20 0 CGADHM O=C(c1cc([O-])ccc1Cl)N(CC(F)(F)F)C1CC1 ZINC000236603814 618904417 /nfs/dbraw/zinc/90/44/17/618904417.db2.gz MWYYNDUSRWKPGJ-UHFFFAOYSA-N -1 3 293.672 3.213 20 0 CGADHM Cc1oc(C(=O)[O-])cc1CNC(C)(C)c1ccccc1 ZINC000312320187 619059673 /nfs/dbraw/zinc/05/96/73/619059673.db2.gz ZJDYDMWHPRMPCA-UHFFFAOYSA-N -1 3 273.332 3.311 20 0 CGADHM Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C(C)C ZINC000103739427 619076894 /nfs/dbraw/zinc/07/68/94/619076894.db2.gz GEMBSFZOFVZOKX-GFCCVEGCSA-N -1 3 250.729 3.335 20 0 CGADHM CC(C)(C)SCCN1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000312897334 619156478 /nfs/dbraw/zinc/15/64/78/619156478.db2.gz RUGXNPXWUINHTA-CQSZACIVSA-N -1 3 293.432 3.202 20 0 CGADHM CC1(C)C(C(=O)[N-]OCc2ccc(F)cc2)C1(C)C ZINC000857484985 619176014 /nfs/dbraw/zinc/17/60/14/619176014.db2.gz NVBLZZUHBVSVPF-UHFFFAOYSA-N -1 3 265.328 3.056 20 0 CGADHM CC(=O)CCCCCCC(=O)NCc1ccc([O-])c(F)c1 ZINC000162834098 619219944 /nfs/dbraw/zinc/21/99/44/619219944.db2.gz RTMDIDMIAJQSDA-UHFFFAOYSA-N -1 3 295.354 3.077 20 0 CGADHM O=C(NCCC1CCCCC1)c1nnc2ccccc2c1[O-] ZINC000261471092 619270961 /nfs/dbraw/zinc/27/09/61/619270961.db2.gz UQNAHMYCFRPDQF-UHFFFAOYSA-N -1 3 299.374 3.036 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)CCSCc1ccccc1 ZINC000794868279 619778495 /nfs/dbraw/zinc/77/84/95/619778495.db2.gz AALOLOXFUOKNOX-ZDUSSCGKSA-N -1 3 281.421 3.404 20 0 CGADHM [O-]c1ccc(CNc2cccc3c2OCCCO3)cc1F ZINC000895867497 619899782 /nfs/dbraw/zinc/89/97/82/619899782.db2.gz UIECNZRSONNGGD-UHFFFAOYSA-N -1 3 289.306 3.305 20 0 CGADHM CC(C)c1noc([N-][C@H]2CCCc3cccnc32)n1 ZINC000896420168 620006418 /nfs/dbraw/zinc/00/64/18/620006418.db2.gz WZFMEOSEBLEXDR-NSHDSACASA-N -1 3 258.325 3.078 20 0 CGADHM COCC(C)(C)c1noc(-c2ccc(C(C)C)cc2[O-])n1 ZINC000896591077 620033640 /nfs/dbraw/zinc/03/36/40/620033640.db2.gz QKSGEDOHSGBTLQ-UHFFFAOYSA-N -1 3 290.363 3.490 20 0 CGADHM O=C(CCCCc1ccccc1)[N-]OC/C=C\Cl ZINC000897806631 620435487 /nfs/dbraw/zinc/43/54/87/620435487.db2.gz WAZZBKCYJACHGZ-WDZFZDKYSA-N -1 3 267.756 3.200 20 0 CGADHM Cc1ccc(CCC(=O)[N-]OCc2cccc(C)n2)c(C)c1 ZINC000898937719 620611023 /nfs/dbraw/zinc/61/10/23/620611023.db2.gz HTDMASSGDDDJQY-UHFFFAOYSA-N -1 3 298.386 3.187 20 0 CGADHM CSC(C)(C)CCN1Cc2ccc(C(=O)[O-])cc2C1 ZINC000901647923 620961361 /nfs/dbraw/zinc/96/13/61/620961361.db2.gz MEJHVYDUOAXYJX-UHFFFAOYSA-N -1 3 279.405 3.232 20 0 CGADHM CC(C)(C)CCS(=O)(=O)[N-]c1cnn(C2CCCC2)c1 ZINC000901767368 621016995 /nfs/dbraw/zinc/01/69/95/621016995.db2.gz MCFQKULSNQCBNY-UHFFFAOYSA-N -1 3 299.440 3.176 20 0 CGADHM CC(C)C[C@@H](C)CN[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC000901912169 621068401 /nfs/dbraw/zinc/06/84/01/621068401.db2.gz PULUQSKHGDWMSC-ZJUUUORDSA-N -1 3 270.398 3.174 20 0 CGADHM Cc1ccc(CN(C)[C@@H](Cc2ccccc2)C(=O)[O-])s1 ZINC000902006139 621095930 /nfs/dbraw/zinc/09/59/30/621095930.db2.gz VNDYMBKPGMFVDT-HNNXBMFYSA-N -1 3 289.400 3.184 20 0 CGADHM CCC[C@@H](NCc1cccc(C(=O)[O-])n1)c1ccccc1 ZINC000902071976 621125785 /nfs/dbraw/zinc/12/57/85/621125785.db2.gz LHNPAOLHJJLWKN-OAHLLOKOSA-N -1 3 284.359 3.411 20 0 CGADHM O=C([O-])c1ccc(CN[C@@H](c2cccs2)C2CC2)o1 ZINC000902087462 621140763 /nfs/dbraw/zinc/14/07/63/621140763.db2.gz KZCROBJNUJRYRY-CYBMUJFWSA-N -1 3 277.345 3.280 20 0 CGADHM O=C([O-])c1cccc(CN[C@H](c2ccccc2)C2CCC2)n1 ZINC000902226624 621200611 /nfs/dbraw/zinc/20/06/11/621200611.db2.gz XNRALHPOYBGWAP-QGZVFWFLSA-N -1 3 296.370 3.411 20 0 CGADHM Cc1ccc2c(c1)[C@H](NCc1ccoc1C(=O)[O-])CC2 ZINC000902230132 621203175 /nfs/dbraw/zinc/20/31/75/621203175.db2.gz DEHFYLBTBUIJDX-CQSZACIVSA-N -1 3 271.316 3.063 20 0 CGADHM Cc1cccc([C@@H](C)NCc2ccoc2C(=O)[O-])c1C ZINC000902272694 621237472 /nfs/dbraw/zinc/23/74/72/621237472.db2.gz XCEQXGKXIITJKV-GFCCVEGCSA-N -1 3 273.332 3.445 20 0 CGADHM O=C([O-])c1occc1CN[C@@H]1CCc2ccc(Cl)cc21 ZINC000902367497 621275306 /nfs/dbraw/zinc/27/53/06/621275306.db2.gz FKVANZLFQQGFIL-CYBMUJFWSA-N -1 3 291.734 3.408 20 0 CGADHM CCc1oc(CN[C@@H]2C[C@H]2CC(C)(C)C)cc1C(=O)[O-] ZINC000902463138 621337171 /nfs/dbraw/zinc/33/71/71/621337171.db2.gz MKLXBGGYLCZVCS-GXFFZTMASA-N -1 3 279.380 3.455 20 0 CGADHM Cc1ccc([C@H](C)N(C)Cc2cccc(C(=O)[O-])n2)cc1 ZINC000902510491 621351067 /nfs/dbraw/zinc/35/10/67/621351067.db2.gz UPWUYKMHVSYRHR-ZDUSSCGKSA-N -1 3 284.359 3.281 20 0 CGADHM C[C@@H](N[C@@H](C)c1cncs1)c1cccc([O-])c1F ZINC000903304657 621678481 /nfs/dbraw/zinc/67/84/81/621678481.db2.gz BKZFBRUJAKFSOS-BDAKNGLRSA-N -1 3 266.341 3.400 20 0 CGADHM O=C([O-])[C@@H]1CN(CC[C@@H]2C[C@H]2C2CC2)Cc2ccccc21 ZINC000903408775 621732278 /nfs/dbraw/zinc/73/22/78/621732278.db2.gz MCJQPDZGCJOASO-XOKHGSTOSA-N -1 3 285.387 3.107 20 0 CGADHM Cc1ccc(F)c(CN([C@@H](C)C(=O)[O-])C2CCC2)c1F ZINC000903608996 621771427 /nfs/dbraw/zinc/77/14/27/621771427.db2.gz QTPXUBWJIRIZDZ-JTQLQIEISA-N -1 3 283.318 3.101 20 0 CGADHM CN(CCCF)[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC000903625589 621777088 /nfs/dbraw/zinc/77/70/88/621777088.db2.gz NBXQPYORPAGSTM-LLVKDONJSA-N -1 3 294.153 3.411 20 0 CGADHM CC[C@@H](NCc1ccc(C(=O)[O-])s1)c1ccncc1 ZINC000903678601 621787138 /nfs/dbraw/zinc/78/71/38/621787138.db2.gz PGWBJSOXRRFZFN-GFCCVEGCSA-N -1 3 276.361 3.082 20 0 CGADHM CSCCCCc1noc(-c2ccccc2[O-])n1 ZINC000903784084 621807592 /nfs/dbraw/zinc/80/75/92/621807592.db2.gz ABEGVKYZFHUHNY-UHFFFAOYSA-N -1 3 264.350 3.128 20 0 CGADHM C[C@@H]1C[C@H](C)N(Cc2ccncc2Cl)[C@H](C)[C@H]1C(=O)[O-] ZINC000903952660 621842333 /nfs/dbraw/zinc/84/23/33/621842333.db2.gz SWQLTSFEJDZCJT-DEKYYXRVSA-N -1 3 296.798 3.055 20 0 CGADHM COc1cccc(CN[C@@H](CC(=O)[O-])c2cccc(C)c2)c1 ZINC000904043841 621858672 /nfs/dbraw/zinc/85/86/72/621858672.db2.gz VZJQRPQNBIMSDH-KRWDZBQOSA-N -1 3 299.370 3.309 20 0 CGADHM COC1(CNCc2cc(C(=O)[O-])c(C)o2)CCCCCC1 ZINC000905799090 622111336 /nfs/dbraw/zinc/11/13/36/622111336.db2.gz LAXYQSPFSVFHOW-UHFFFAOYSA-N -1 3 295.379 3.115 20 0 CGADHM Cc1ccc2ncc(C(=O)[O-])c(N3CC[C@H](CF)C3)c2c1 ZINC000906147949 622161657 /nfs/dbraw/zinc/16/16/57/622161657.db2.gz CSSRQLPFYRJJIR-LLVKDONJSA-N -1 3 288.322 3.037 20 0 CGADHM CCc1ccc(C(=O)N2CC=CC23CCCC3)c([O-])c1 ZINC000913204497 622744142 /nfs/dbraw/zinc/74/41/42/622744142.db2.gz DYMDYRGKKLEZCZ-UHFFFAOYSA-N -1 3 271.360 3.279 20 0 CGADHM CCc1ccc(CNCc2cc(C(=O)[O-])oc2C)s1 ZINC000224695482 622883947 /nfs/dbraw/zinc/88/39/47/622883947.db2.gz VRMQQPQWEKZPTL-UHFFFAOYSA-N -1 3 279.361 3.200 20 0 CGADHM CC(C)[C@H]([N-]C(=O)C(F)(F)C(F)F)c1ccccc1 ZINC000226600888 622983371 /nfs/dbraw/zinc/98/33/71/622983371.db2.gz YFQYABZOCWRXMP-JTQLQIEISA-N -1 3 277.261 3.400 20 0 CGADHM CCC[C@@H](C)CN1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000227030554 623007161 /nfs/dbraw/zinc/00/71/61/623007161.db2.gz XYMAODQDEHQUEA-DOMZBBRYSA-N -1 3 261.365 3.107 20 0 CGADHM CCc1ccc(CC(=O)[N-]OCc2ccccc2)cc1 ZINC000172824738 623284811 /nfs/dbraw/zinc/28/48/11/623284811.db2.gz COBXVOAUMIQZDB-UHFFFAOYSA-N -1 3 269.344 3.040 20 0 CGADHM CCC(CC)(CNC(=O)c1ccc(C)cc1[O-])SC ZINC000231678698 623337878 /nfs/dbraw/zinc/33/78/78/623337878.db2.gz ADNCZWDSDGTBLM-UHFFFAOYSA-N -1 3 281.421 3.352 20 0 CGADHM Cc1ccc(-c2cc(C(=O)OCCc3ccccc3)n[n-]2)o1 ZINC000918488071 624348022 /nfs/dbraw/zinc/34/80/22/624348022.db2.gz AYDVHRTWXNPTHS-UHFFFAOYSA-N -1 3 296.326 3.378 20 0 CGADHM Cc1ccc(-c2cc(C(=O)OCCc3ccccc3)[n-]n2)o1 ZINC000918488071 624348024 /nfs/dbraw/zinc/34/80/24/624348024.db2.gz AYDVHRTWXNPTHS-UHFFFAOYSA-N -1 3 296.326 3.378 20 0 CGADHM O=C(Cc1c[nH]c2ccccc12)[N-]OCc1ccc(F)cc1 ZINC000184228725 625213012 /nfs/dbraw/zinc/21/30/12/625213012.db2.gz CSBHNNJRVPLKTK-UHFFFAOYSA-N -1 3 298.317 3.098 20 0 CGADHM CC[C@H](CC(C)C)C(=O)OCc1cc(=O)[n-]c(C2CC2)n1 ZINC000838250631 626205886 /nfs/dbraw/zinc/20/58/86/626205886.db2.gz AOUMLXNQWCGEHQ-LLVKDONJSA-N -1 3 292.379 3.175 20 0 CGADHM O=C(Nc1ccc(Cl)cc1[O-])C1CC2(CSC2)C1 ZINC000867006230 626330708 /nfs/dbraw/zinc/33/07/08/626330708.db2.gz FGUMMGHJSFVQHM-UHFFFAOYSA-N -1 3 283.780 3.127 20 0 CGADHM Cc1ccc(/C=C\S(=O)(=O)[N-]c2ccccc2O)cc1 ZINC000751201887 626380843 /nfs/dbraw/zinc/38/08/43/626380843.db2.gz GGJOKBTZZFGGIT-KHPPLWFESA-N -1 3 289.356 3.113 20 0 CGADHM O=C(Cc1ccc2ccccc2c1)[N-]OCC1CCC1 ZINC000753821977 626467141 /nfs/dbraw/zinc/46/71/41/626467141.db2.gz DQLKRMXOTULCST-UHFFFAOYSA-N -1 3 269.344 3.230 20 0 CGADHM Cc1ccc(SCc2nc(C)cc(=O)[n-]2)c(C)c1 ZINC000754449384 626572250 /nfs/dbraw/zinc/57/22/50/626572250.db2.gz FXILFSZSHFIXPR-UHFFFAOYSA-N -1 3 260.362 3.400 20 0 CGADHM Cc1nc(CCC(=O)Nc2ccc(Cl)cc2[O-])cs1 ZINC000754497270 626573620 /nfs/dbraw/zinc/57/36/20/626573620.db2.gz MDDDTFWTBZHGIH-UHFFFAOYSA-N -1 3 296.779 3.382 20 0 CGADHM Cc1ccc(CC(=O)[N-]OCc2ccc(F)cc2)cc1C ZINC000754720685 626584610 /nfs/dbraw/zinc/58/46/10/626584610.db2.gz OWBGFZVZNHMOJS-UHFFFAOYSA-N -1 3 287.334 3.233 20 0 CGADHM CON(C(=O)c1ccc(C(C)C)cc1[O-])C1CCCC1 ZINC000757626642 626794682 /nfs/dbraw/zinc/79/46/82/626794682.db2.gz ACQJODWFIFTQDA-UHFFFAOYSA-N -1 3 277.364 3.462 20 0 CGADHM C[C@]12CC3CC(C(=O)[N-]OCC(F)F)(C1)C[C@@](C)(C3)C2 ZINC000759321931 626886989 /nfs/dbraw/zinc/88/69/89/626886989.db2.gz FLLCNNOLVMNQFB-LPQUYDBWSA-N -1 3 287.350 3.296 20 0 CGADHM CC/C(=C\C(=O)[N-]OCC(F)F)c1ccc(C)cc1 ZINC000759340646 626888892 /nfs/dbraw/zinc/88/88/92/626888892.db2.gz ZARZFWFPHBNKBZ-DHZHZOJOSA-N -1 3 269.291 3.101 20 0 CGADHM O=C([N-]CCCOc1ccc2ccccc2c1)C(F)(F)F ZINC000762535642 627114677 /nfs/dbraw/zinc/11/46/77/627114677.db2.gz JFAXZFUWMNFEGW-UHFFFAOYSA-N -1 3 297.276 3.287 20 0 CGADHM CC(C)[C@@H]1CCC[C@@H]([N-]C(=O)C(F)(F)F)CC1 ZINC000769634840 627570217 /nfs/dbraw/zinc/57/02/17/627570217.db2.gz VGQOGCOCLMIVRT-NXEZZACHSA-N -1 3 251.292 3.270 20 0 CGADHM CCCCCC[C@@H](C)[N-]S(=O)(=O)c1ccc(C)o1 ZINC000773283344 627871167 /nfs/dbraw/zinc/87/11/67/627871167.db2.gz SYRUGZDFYCMFAQ-LLVKDONJSA-N -1 3 273.398 3.225 20 0 CGADHM O=C(CCc1cccc(F)c1F)[N-]Oc1ccccc1 ZINC000773468527 627887924 /nfs/dbraw/zinc/88/79/24/627887924.db2.gz QZKLLEBHFIVNPN-UHFFFAOYSA-N -1 3 277.270 3.008 20 0 CGADHM O=C(CCc1cc(Cl)cs1)[N-]OC1CCCC1 ZINC000774870005 628045353 /nfs/dbraw/zinc/04/53/53/628045353.db2.gz VFQRABIEVZPWPT-UHFFFAOYSA-N -1 3 273.785 3.325 20 0 CGADHM CC(C)CO[N-]C(=O)C1(Cc2cccc(F)c2)CCC1 ZINC000775458237 628097570 /nfs/dbraw/zinc/09/75/70/628097570.db2.gz ARPRORAAKOOTES-UHFFFAOYSA-N -1 3 279.355 3.242 20 0 CGADHM CCc1ccc(NC([O-])=NO[C@@H]2CCCCO2)cc1C ZINC000775707565 628127038 /nfs/dbraw/zinc/12/70/38/628127038.db2.gz PTONZXDYZALKRW-CQSZACIVSA-N -1 3 278.352 3.137 20 0 CGADHM CCc1ccc(NC(=O)[N-]O[C@@H]2CCCCO2)cc1C ZINC000775707565 628127044 /nfs/dbraw/zinc/12/70/44/628127044.db2.gz PTONZXDYZALKRW-CQSZACIVSA-N -1 3 278.352 3.137 20 0 CGADHM CC(C)(C)OCCOC(=O)c1cccc(Cl)c1[O-] ZINC000775933351 628150289 /nfs/dbraw/zinc/15/02/89/628150289.db2.gz NNSMNIUMWVEDKL-UHFFFAOYSA-N -1 3 272.728 3.018 20 0 CGADHM CC(C)OCCCOC(=O)c1cccc(Cl)c1[O-] ZINC000775935264 628151228 /nfs/dbraw/zinc/15/12/28/628151228.db2.gz JLFDTWNBALPKOU-UHFFFAOYSA-N -1 3 272.728 3.018 20 0 CGADHM CCC[C@H](C)c1noc(-c2cc(OC)c([O-])c(OC)c2)n1 ZINC000776880715 628237843 /nfs/dbraw/zinc/23/78/43/628237843.db2.gz CLHJNYHRTSQSKY-VIFPVBQESA-N -1 3 292.335 3.363 20 0 CGADHM Cc1ccc(CC(=O)[N-]OCc2ccc(CF)cc2)cc1 ZINC000777543211 628281022 /nfs/dbraw/zinc/28/10/22/628281022.db2.gz YFHZANKBOAKDEX-UHFFFAOYSA-N -1 3 287.334 3.255 20 0 CGADHM CCc1ccc(N(CC)C(=O)c2cccc3n[n-]nc32)cc1 ZINC000783552949 628724815 /nfs/dbraw/zinc/72/48/15/628724815.db2.gz MHNSSNDGFVSRNB-UHFFFAOYSA-N -1 3 294.358 3.187 20 0 CGADHM O=C(COC(=O)c1cc2occc2[n-]1)C1CCCCC1 ZINC000786028845 628908051 /nfs/dbraw/zinc/90/80/51/628908051.db2.gz LHSKKVHDCUWUSO-UHFFFAOYSA-N -1 3 275.304 3.067 20 0 CGADHM O=C(OCc1ccc(F)cc1F)c1cc2occc2[n-]1 ZINC000786028800 628908101 /nfs/dbraw/zinc/90/81/01/628908101.db2.gz KWOGKRHZHSPNEK-UHFFFAOYSA-N -1 3 277.226 3.396 20 0 CGADHM O=C(CCCc1ccc([O-])c(F)c1)OC/C=C\Cl ZINC000787847878 629032645 /nfs/dbraw/zinc/03/26/45/629032645.db2.gz IILWYJZHKSXNIE-UQCOIBPSSA-N -1 3 272.703 3.150 20 0 CGADHM C[C@@H](NC(=O)c1cc2sccc2c([O-])c1)c1cccnc1 ZINC000788266111 629043775 /nfs/dbraw/zinc/04/37/75/629043775.db2.gz NIDFFXVQRBSNTH-SNVBAGLBSA-N -1 3 298.367 3.493 20 0 CGADHM Cc1ccc(-c2cc(C(=O)OCC3=CCCC3)n[n-]2)o1 ZINC000790823925 629235722 /nfs/dbraw/zinc/23/57/22/629235722.db2.gz ZHORVRCZPUMIFV-UHFFFAOYSA-N -1 3 272.304 3.245 20 0 CGADHM Cc1ccc(-c2cc(C(=O)OCC3=CCCC3)[n-]n2)o1 ZINC000790823925 629235726 /nfs/dbraw/zinc/23/57/26/629235726.db2.gz ZHORVRCZPUMIFV-UHFFFAOYSA-N -1 3 272.304 3.245 20 0 CGADHM CCOc1c(Cl)cccc1CC(=O)[N-]OC1CCCC1 ZINC000790849447 629237834 /nfs/dbraw/zinc/23/78/34/629237834.db2.gz SKNZMZIEZZLFTC-UHFFFAOYSA-N -1 3 297.782 3.272 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)Cc1coc2cc(C)ccc12 ZINC000794843551 629586573 /nfs/dbraw/zinc/58/65/73/629586573.db2.gz RYNQSFQYQJRPIE-LLVKDONJSA-N -1 3 275.348 3.378 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)CCCc1ccc(C)cc1 ZINC000794855341 629589241 /nfs/dbraw/zinc/58/92/41/629589241.db2.gz ZULCOXAIMLFROZ-CYBMUJFWSA-N -1 3 263.381 3.412 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)CCCc1cc(F)ccc1F ZINC000794870181 629592358 /nfs/dbraw/zinc/59/23/58/629592358.db2.gz MQIYGXDNJZAVEB-NSHDSACASA-N -1 3 285.334 3.381 20 0 CGADHM CCc1cc(=O)[n-]c(CSCCSC(C)C)n1 ZINC000795366783 629666461 /nfs/dbraw/zinc/66/64/61/629666461.db2.gz QKJGHUHVCGTSGO-UHFFFAOYSA-N -1 3 272.439 3.119 20 0 CGADHM Cc1cc(C)cc(COC(=O)c2cc(F)cc3[n-]nnc32)c1 ZINC000800257434 630256723 /nfs/dbraw/zinc/25/67/23/630256723.db2.gz IBVFRNQIHYPCBH-UHFFFAOYSA-N -1 3 299.305 3.071 20 0 CGADHM Cc1cc(C)cc(COC(=O)c2cc(F)cc3nn[n-]c32)c1 ZINC000800257434 630256725 /nfs/dbraw/zinc/25/67/25/630256725.db2.gz IBVFRNQIHYPCBH-UHFFFAOYSA-N -1 3 299.305 3.071 20 0 CGADHM Cc1cc(C)cc(COC(=O)c2cc(F)cc3n[n-]nc32)c1 ZINC000800257434 630256727 /nfs/dbraw/zinc/25/67/27/630256727.db2.gz IBVFRNQIHYPCBH-UHFFFAOYSA-N -1 3 299.305 3.071 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2ccc(Cl)nc2)c1 ZINC000103746649 630909088 /nfs/dbraw/zinc/90/90/88/630909088.db2.gz AYTNSRHUVSTGIE-UHFFFAOYSA-N -1 3 262.696 3.001 20 0 CGADHM Cc1ccc(CCC(=O)[N-]OC/C=C\Cl)cc1Cl ZINC000812408997 631248687 /nfs/dbraw/zinc/24/86/87/631248687.db2.gz VNTYUPPQEQWGBJ-UQCOIBPSSA-N -1 3 288.174 3.381 20 0 CGADHM CC1(C)CCCC[C@@H]1CC(=O)[N-]OC/C=C\Cl ZINC000812409244 631249044 /nfs/dbraw/zinc/24/90/44/631249044.db2.gz WUHCAGMHLIMDKL-UIJKISKDSA-N -1 3 259.777 3.393 20 0 CGADHM CON(C[C@H]1CCC[C@H](C)C1)C(=O)c1ccccc1[O-] ZINC000812424245 631257244 /nfs/dbraw/zinc/25/72/44/631257244.db2.gz FJKQLUYMUAYAGU-STQMWFEESA-N -1 3 277.364 3.222 20 0 CGADHM CCCN(Cc1c(F)ccc([O-])c1F)CC(F)(F)F ZINC000816493078 631991393 /nfs/dbraw/zinc/99/13/93/631991393.db2.gz OHRYDCLAYHKKPY-UHFFFAOYSA-N -1 3 283.240 3.445 20 0 CGADHM [O-]c1ccc(F)c(CN2CC[C@@H](c3ccco3)C2)c1F ZINC000816508192 631997791 /nfs/dbraw/zinc/99/77/91/631997791.db2.gz FBOWRMFIUUCJIP-SNVBAGLBSA-N -1 3 279.286 3.253 20 0 CGADHM CCCCC[C@H](C)NC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000816839298 632055929 /nfs/dbraw/zinc/05/59/29/632055929.db2.gz AMNWBSGWFDWATC-NSHDSACASA-N -1 3 277.364 3.293 20 0 CGADHM CC1(C)CCC[C@H](CC(=O)[N-]OCCC2CC2)C1 ZINC000817421133 632148216 /nfs/dbraw/zinc/14/82/16/632148216.db2.gz OYXKNIVXWVPGGE-CYBMUJFWSA-N -1 3 253.386 3.441 20 0 CGADHM C[C@H](CC(=O)[N-]OCCC1CC1)c1ccc(F)cc1 ZINC000817425295 632150834 /nfs/dbraw/zinc/15/08/34/632150834.db2.gz APVDLLKZVQIPGW-LLVKDONJSA-N -1 3 265.328 3.167 20 0 CGADHM CCC1CCC(N(C)C(=O)c2ccc(N)cc2[O-])CC1 ZINC000817912334 632233665 /nfs/dbraw/zinc/23/36/65/632233665.db2.gz HYXXPBWOBIOUDA-UHFFFAOYSA-N -1 3 276.380 3.015 20 0 CGADHM CC(C)[C@@H](c1ccccc1)N(C)C(=O)c1ccc(N)cc1[O-] ZINC000817935119 632237512 /nfs/dbraw/zinc/23/75/12/632237512.db2.gz GXNORQNNQRCYPW-KRWDZBQOSA-N -1 3 298.386 3.444 20 0 CGADHM CC[C@@H]1c2ccccc2CCN1C(=O)c1ccc(N)cc1[O-] ZINC000817941735 632241067 /nfs/dbraw/zinc/24/10/67/632241067.db2.gz WABZVQNZUZMAPI-MRXNPFEDSA-N -1 3 296.370 3.124 20 0 CGADHM CCCO[N-]C(=O)C[C@@H](C)c1c[nH]c2ccccc21 ZINC000844087444 635818809 /nfs/dbraw/zinc/81/88/09/635818809.db2.gz RPHKLSHIQFXOJU-LLVKDONJSA-N -1 3 260.337 3.119 20 0 CGADHM C[C@@H](Sc1ccncc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820555611 632645978 /nfs/dbraw/zinc/64/59/78/632645978.db2.gz NWBSQPSGZBNMRR-SNVBAGLBSA-N -1 3 283.360 3.115 20 0 CGADHM C[C@@H](Sc1ccncc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820555611 632645983 /nfs/dbraw/zinc/64/59/83/632645983.db2.gz NWBSQPSGZBNMRR-SNVBAGLBSA-N -1 3 283.360 3.115 20 0 CGADHM CCC(C)(C)CCSc1cc(-c2nnn[n-]2)ccn1 ZINC000820847345 632686357 /nfs/dbraw/zinc/68/63/57/632686357.db2.gz BEJKRCJJDKHXRJ-UHFFFAOYSA-N -1 3 277.397 3.180 20 0 CGADHM CCC(C)(C)CCSc1cc(-c2nn[n-]n2)ccn1 ZINC000820847345 632686360 /nfs/dbraw/zinc/68/63/60/632686360.db2.gz BEJKRCJJDKHXRJ-UHFFFAOYSA-N -1 3 277.397 3.180 20 0 CGADHM O=C([N-]c1nnc(C2CCCCC2)s1)c1ccsn1 ZINC000822686822 633005321 /nfs/dbraw/zinc/00/53/21/633005321.db2.gz XDCIJUHGAJOIQD-UHFFFAOYSA-N -1 3 294.405 3.295 20 0 CGADHM [O-]c1ccc(CN[C@H]2c3ccccc3OC[C@@H]2F)cc1F ZINC000866268795 633054151 /nfs/dbraw/zinc/05/41/51/633054151.db2.gz HBOVTNOLFDNGRQ-BBRMVZONSA-N -1 3 291.297 3.093 20 0 CGADHM CC1(C)CCc2sc([N-]C(=O)c3cc(Cl)no3)nc21 ZINC000823735361 633145856 /nfs/dbraw/zinc/14/58/56/633145856.db2.gz VFTFENZKOINVEO-UHFFFAOYSA-N -1 3 297.767 3.261 20 0 CGADHM CC(C)(CC(=O)[N-]OC1CCC1)c1ccc(F)cc1 ZINC000868660052 633349189 /nfs/dbraw/zinc/34/91/89/633349189.db2.gz MTHQFZARUZRSSW-UHFFFAOYSA-N -1 3 265.328 3.094 20 0 CGADHM Cc1ccc(CC(=O)[N-]OCCCC(F)(F)F)cc1C ZINC000871209676 633728128 /nfs/dbraw/zinc/72/81/28/633728128.db2.gz AMNMVGPPYJOFJK-UHFFFAOYSA-N -1 3 289.297 3.236 20 0 CGADHM CCC(CC)CC(=O)[N-]OCCCC(F)(F)F ZINC000871212924 633729284 /nfs/dbraw/zinc/72/92/84/633729284.db2.gz FSOYXYGKMCBPKI-UHFFFAOYSA-N -1 3 255.280 3.203 20 0 CGADHM O=C(CCC1CCCCC1)[N-]OC1CC(CF)(CF)C1 ZINC000871730280 633844948 /nfs/dbraw/zinc/84/49/48/633844948.db2.gz YGPSAMGLDWBBDJ-UHFFFAOYSA-N -1 3 289.366 3.483 20 0 CGADHM Cc1c2occ([O-])c2ccc1OCC[C@H](O)c1ccccc1 ZINC000871799919 633871306 /nfs/dbraw/zinc/87/13/06/633871306.db2.gz SNYZZROWQIPTRE-HNNXBMFYSA-N -1 3 298.338 3.073 20 0 CGADHM CCc1[n-]n(C[C@@H]2CCCC2(F)F)c(=O)c1C(C)C ZINC000871962821 633930136 /nfs/dbraw/zinc/93/01/36/633930136.db2.gz HIWIALIEPVAOSQ-CMPLNLGQSA-N -1 3 272.339 3.302 20 0 CGADHM Cc1nc(CN[C@@H](C)c2cccc([O-])c2F)cs1 ZINC000872024664 633944704 /nfs/dbraw/zinc/94/47/04/633944704.db2.gz VKAYYVAAGMPPRC-QMMMGPOBSA-N -1 3 266.341 3.147 20 0 CGADHM C/C(=C\C(=O)OCc1cc(=O)[n-]c(C2CC2)n1)C(C)(C)C ZINC000837553630 634932449 /nfs/dbraw/zinc/93/24/49/634932449.db2.gz QHBLINVTSWRQSQ-JXMROGBWSA-N -1 3 290.363 3.095 20 0 CGADHM O=C1N[C@H](c2ccc([O-])cc2F)Nc2cc(Cl)ccc21 ZINC000877846434 635239764 /nfs/dbraw/zinc/23/97/64/635239764.db2.gz AEKPKSILZBJZBY-CYBMUJFWSA-N -1 3 292.697 3.039 20 0 CGADHM CCC1CCN(Cc2nnc(-c3ccccc3[O-])o2)CC1 ZINC000877975862 635302048 /nfs/dbraw/zinc/30/20/48/635302048.db2.gz RFGXLKAVDOUKCY-UHFFFAOYSA-N -1 3 287.363 3.064 20 0 CGADHM CSCCO[N-]C(=O)CCCc1ccc(SC)cc1 ZINC000843875419 635790638 /nfs/dbraw/zinc/79/06/38/635790638.db2.gz JVVCORLTDPPZJJ-UHFFFAOYSA-N -1 3 299.461 3.142 20 0 CGADHM Cc1cc(C=Cc2nccc(=O)[n-]2)c(OC(F)F)cc1C ZINC000131772524 636748712 /nfs/dbraw/zinc/74/87/12/636748712.db2.gz UJSIDQMQUSXRNL-ONEGZZNKSA-N -1 3 292.285 3.159 20 0 CGADHM Cc1ccc(CC(=O)[N-]OCc2ccc(F)cc2F)cc1 ZINC000084915043 636768668 /nfs/dbraw/zinc/76/86/68/636768668.db2.gz DYQSAMCDDDWXDF-UHFFFAOYSA-N -1 3 291.297 3.064 20 0 CGADHM CC(=O)[C@@H](C)CCOC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000849672720 636842691 /nfs/dbraw/zinc/84/26/91/636842691.db2.gz JEIWGRMWEPEXGG-LURJTMIESA-N -1 3 278.135 3.094 20 0 CGADHM CC[C@@H](OC(=O)c1cccc2nn[n-]c21)c1ccccc1 ZINC000800208117 636958363 /nfs/dbraw/zinc/95/83/63/636958363.db2.gz CXBKYIMVNUOGKI-CQSZACIVSA-N -1 3 281.315 3.266 20 0 CGADHM CC[C@@H](OC(=O)c1cccc2[n-]nnc21)c1ccccc1 ZINC000800208117 636958374 /nfs/dbraw/zinc/95/83/74/636958374.db2.gz CXBKYIMVNUOGKI-CQSZACIVSA-N -1 3 281.315 3.266 20 0 CGADHM CC[C@@H](OC(=O)c1cccc2n[n-]nc21)c1ccccc1 ZINC000800208117 636958387 /nfs/dbraw/zinc/95/83/87/636958387.db2.gz CXBKYIMVNUOGKI-CQSZACIVSA-N -1 3 281.315 3.266 20 0 CGADHM O=C(CCCc1ccccc1)[N-]OCCC1CCC1 ZINC000853663541 637885532 /nfs/dbraw/zinc/88/55/32/637885532.db2.gz FDRRFDCHPSWKCP-UHFFFAOYSA-N -1 3 261.365 3.247 20 0 CGADHM C[C@@H]1C[C@H]1c1ccc(CCC(=O)[N-]OCC2CCC2)o1 ZINC000856344358 638345448 /nfs/dbraw/zinc/34/54/48/638345448.db2.gz IUZUBQWFCBDXDB-BXUZGUMPSA-N -1 3 277.364 3.184 20 0 CGADHM Cc1ccc(C(=O)Nc2cc3c(cn2)CCCC3)c([O-])c1 ZINC000857514361 638512598 /nfs/dbraw/zinc/51/25/98/638512598.db2.gz ONMUOUMIXFSQPE-UHFFFAOYSA-N -1 3 282.343 3.227 20 0 CGADHM O=C(Cc1c[nH]c2ccc(F)cc12)[N-]OCc1ccccc1 ZINC000115320693 638524630 /nfs/dbraw/zinc/52/46/30/638524630.db2.gz CUICRKPNSNEOKQ-UHFFFAOYSA-N -1 3 298.317 3.098 20 0 CGADHM CC(C)(C)c1ncc(C(=O)[N-]c2ccnc(F)c2F)s1 ZINC000857698491 638557426 /nfs/dbraw/zinc/55/74/26/638557426.db2.gz UOBYGPRMAKCVPB-UHFFFAOYSA-N -1 3 297.330 3.366 20 0 CGADHM C[C@@H](N[C@@H](C)c1cc([O-])cc(F)c1)c1cscn1 ZINC000926692504 638799132 /nfs/dbraw/zinc/79/91/32/638799132.db2.gz NDNTUQGOFRAMRF-DTWKUNHWSA-N -1 3 266.341 3.400 20 0 CGADHM Cc1nc2c(c(=O)[n-]1)CN([C@@H](C)c1cccc(Cl)c1)C2 ZINC000931316995 639134440 /nfs/dbraw/zinc/13/44/40/639134440.db2.gz HXCUIFQHQCVWJW-VIFPVBQESA-N -1 3 289.766 3.221 20 0 CGADHM CSCCO[N-]C(=O)CC(C1CCC1)C1CCC1 ZINC000861471376 639587209 /nfs/dbraw/zinc/58/72/09/639587209.db2.gz WUUDLEBZCVUTED-UHFFFAOYSA-N -1 3 271.426 3.004 20 0 CGADHM O=C(OCCCOc1ccccc1)c1ccc([O-])cc1 ZINC000039203120 639627157 /nfs/dbraw/zinc/62/71/57/639627157.db2.gz KJXFKBVWLLEZJX-UHFFFAOYSA-N -1 3 272.300 3.018 20 0 CGADHM O=C(C[C@H]1CCCC1(F)F)Nc1cccc([O-])c1F ZINC000935137321 639754793 /nfs/dbraw/zinc/75/47/93/639754793.db2.gz KIEDDRPFWYHDMV-MRVPVSSYSA-N -1 3 273.254 3.295 20 0 CGADHM CCOc1cc(O)ccc1NC(=O)c1cc(C)ccc1[O-] ZINC000190973343 640280813 /nfs/dbraw/zinc/28/08/13/640280813.db2.gz SOYXRTYLCUZANL-UHFFFAOYSA-N -1 3 287.315 3.057 20 0 CGADHM CN(C(=O)c1ccc(O)cc1[O-])C1CCCCCCC1 ZINC000195290629 640577257 /nfs/dbraw/zinc/57/72/57/640577257.db2.gz UYWBKLPNWNHGIR-UHFFFAOYSA-N -1 3 277.364 3.283 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2cccc3c2CC(C)(C)O3)n1 ZINC001155739916 805609319 /nfs/dbraw/zinc/60/93/19/805609319.db2.gz HSRAPUSAARQXLX-UHFFFAOYSA-N -1 3 298.342 3.061 20 0 CGADHM Cc1cccc2c1nc(-c1cc(F)ccc1[O-])n2C ZINC001250837890 805786785 /nfs/dbraw/zinc/78/67/85/805786785.db2.gz ONEKGNIXSXKSIL-UHFFFAOYSA-N -1 3 256.280 3.393 20 0 CGADHM COc1ccc2nc(-c3cc(F)c(F)cc3[O-])[nH]c2c1 ZINC001250967393 805811179 /nfs/dbraw/zinc/81/11/79/805811179.db2.gz PGKJNFHWVYJDPZ-UHFFFAOYSA-N -1 3 276.242 3.222 20 0 CGADHM O=c1ccc(-c2nc3cc(Cl)cc(Cl)c3[n-]2)n[nH]1 ZINC001251060973 805838575 /nfs/dbraw/zinc/83/85/75/805838575.db2.gz QSMBIQXXHBMOJX-UHFFFAOYSA-N -1 3 281.102 3.032 20 0 CGADHM O=c1ccc(-c2nc3c(cc(Cl)cc3Cl)[n-]2)n[nH]1 ZINC001251060973 805838584 /nfs/dbraw/zinc/83/85/84/805838584.db2.gz QSMBIQXXHBMOJX-UHFFFAOYSA-N -1 3 281.102 3.032 20 0 CGADHM COc1cc2[nH]c(-c3cccc([O-])c3F)nc2cc1F ZINC001251254919 805872979 /nfs/dbraw/zinc/87/29/79/805872979.db2.gz AMNNJMDEROVUSZ-UHFFFAOYSA-N -1 3 276.242 3.222 20 0 CGADHM COc1cc2nc(-c3cccc([O-])c3F)[nH]c2cc1F ZINC001251254919 805872989 /nfs/dbraw/zinc/87/29/89/805872989.db2.gz AMNNJMDEROVUSZ-UHFFFAOYSA-N -1 3 276.242 3.222 20 0 CGADHM CC/C=C/[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC001251374927 805888230 /nfs/dbraw/zinc/88/82/30/805888230.db2.gz QYWDPSKIZISMOS-ZZXKWVIFSA-N -1 3 280.176 3.195 20 0 CGADHM CN(C)c1ccc2[nH]c(-c3cc([O-])cc(F)c3)nc2c1 ZINC001251570541 805909389 /nfs/dbraw/zinc/90/93/89/805909389.db2.gz WLVJRZKLHNATSF-UHFFFAOYSA-N -1 3 271.295 3.141 20 0 CGADHM Cc1coc(-c2nc3c(cc(Cl)cc3F)[n-]2)n1 ZINC001251638468 805915380 /nfs/dbraw/zinc/91/53/80/805915380.db2.gz LMTYAWLNAIZMOV-UHFFFAOYSA-N -1 3 251.648 3.319 20 0 CGADHM Cc1cccc([O-])c1-c1nnc(-c2ccc(N(C)C)cc2)o1 ZINC001252362056 806042419 /nfs/dbraw/zinc/04/24/19/806042419.db2.gz QQXAYBKBKXZTOU-UHFFFAOYSA-N -1 3 295.342 3.484 20 0 CGADHM [O-]c1cc(Cl)cnc1Nc1c(Cl)cccc1CO ZINC001159188423 806057081 /nfs/dbraw/zinc/05/70/81/806057081.db2.gz OXEYDOWRMYMCDW-UHFFFAOYSA-N -1 3 285.130 3.330 20 0 CGADHM CC(=O)c1cc(-c2nnc(-c3ccccc3)o2)ccc1[O-] ZINC001253047213 806157334 /nfs/dbraw/zinc/15/73/34/806157334.db2.gz KSPAWOXGWDNKFS-UHFFFAOYSA-N -1 3 280.283 3.312 20 0 CGADHM Cc1nnc(-c2cc(OCc3ccccc3)ccc2[O-])o1 ZINC001253477864 806225620 /nfs/dbraw/zinc/22/56/20/806225620.db2.gz XYFJDFGNDWKTJY-UHFFFAOYSA-N -1 3 282.299 3.330 20 0 CGADHM CC(=O)c1cc(-c2nnc(Cc3ccccc3)o2)ccc1[O-] ZINC001253488776 806227750 /nfs/dbraw/zinc/22/77/50/806227750.db2.gz BDAHYQCYUPGUDC-UHFFFAOYSA-N -1 3 294.310 3.236 20 0 CGADHM CCOC(=O)c1ccc(-c2nnc(-c3cccc(C)c3)o2)[n-]1 ZINC001253696601 806281419 /nfs/dbraw/zinc/28/14/19/806281419.db2.gz RMAXNDWNSWRGFC-UHFFFAOYSA-N -1 3 297.314 3.217 20 0 CGADHM S=C1Cc2ccc(NCCC3CCOCC3)cc2[N-]1 ZINC001162226540 806533268 /nfs/dbraw/zinc/53/32/68/806533268.db2.gz SPAPHKPARQYECT-UHFFFAOYSA-N -1 3 276.405 3.211 20 0 CGADHM O=C(Nc1ccc([O-])c(F)c1)Nc1ccccc1F ZINC000085200869 798943257 /nfs/dbraw/zinc/94/32/57/798943257.db2.gz ZEBXLIVIYFZCHE-UHFFFAOYSA-N -1 3 264.231 3.314 20 0 CGADHM CCCOc1ccc(CCC(=O)[N-]OC(C)(C)C)cc1 ZINC000126148354 799005448 /nfs/dbraw/zinc/00/54/48/799005448.db2.gz AJCMZYQOBCDLFO-UHFFFAOYSA-N -1 3 279.380 3.254 20 0 CGADHM CCCC[C@@H](CCC)NC(=O)c1c([O-])cccc1OC ZINC000405282993 799582405 /nfs/dbraw/zinc/58/24/05/799582405.db2.gz WMCJQTXTPZUXQP-GFCCVEGCSA-N -1 3 279.380 3.490 20 0 CGADHM COc1cccc([O-])c1C(=O)N(C)CC1CCCCC1 ZINC000405245301 799582941 /nfs/dbraw/zinc/58/29/41/799582941.db2.gz ZLDZBOINHGWJBG-UHFFFAOYSA-N -1 3 277.364 3.053 20 0 CGADHM CCC(CC)c1noc(-c2cc3c(cc2[O-])OCO3)n1 ZINC000436935757 799612408 /nfs/dbraw/zinc/61/24/08/799612408.db2.gz XGTIFXJJFNZFOQ-UHFFFAOYSA-N -1 3 276.292 3.075 20 0 CGADHM Cc1cccc(-c2noc(-c3cc4c(cc3[O-])OCO4)n2)c1 ZINC000436994822 799612639 /nfs/dbraw/zinc/61/26/39/799612639.db2.gz AVJLBDFUNJUVGQ-UHFFFAOYSA-N -1 3 296.282 3.146 20 0 CGADHM C[C@H](NC1CCC2(CC2)CC1)c1ncc(C(=O)[O-])s1 ZINC000695689874 799832276 /nfs/dbraw/zinc/83/22/76/799832276.db2.gz MXLPQKOCWRXBCI-VIFPVBQESA-N -1 3 280.393 3.215 20 0 CGADHM Cc1ccc([C@H](NC(=O)c2ccccc2[O-])C(F)(F)F)o1 ZINC001163677766 806799558 /nfs/dbraw/zinc/79/95/58/806799558.db2.gz MJIXTMKOFZUHOO-LBPRGKRZSA-N -1 3 299.248 3.327 20 0 CGADHM Cc1cc(C)cc(CNc2ccccc2-c2nnn[n-]2)c1 ZINC001163753800 806818646 /nfs/dbraw/zinc/81/86/46/806818646.db2.gz ZMWCMGAXJCYUTQ-UHFFFAOYSA-N -1 3 279.347 3.096 20 0 CGADHM Cc1cc(C)cc(CNc2ccccc2-c2nn[n-]n2)c1 ZINC001163753800 806818652 /nfs/dbraw/zinc/81/86/52/806818652.db2.gz ZMWCMGAXJCYUTQ-UHFFFAOYSA-N -1 3 279.347 3.096 20 0 CGADHM CC(C)(C)OC(=O)c1ccc(C=Cc2nccc(=O)[n-]2)cc1 ZINC000764916985 800382828 /nfs/dbraw/zinc/38/28/28/800382828.db2.gz HOSRQBHOLRAIPM-TWGQIWQCSA-N -1 3 298.342 3.308 20 0 CGADHM O=C(CC(C1CCC1)C1CCC1)[N-]OC/C=C/Cl ZINC000861782317 800526904 /nfs/dbraw/zinc/52/69/04/800526904.db2.gz AASNEQLPNKOSLG-FPYGCLRLSA-N -1 3 271.788 3.393 20 0 CGADHM Cc1cc(=O)[n-]c(CSc2ccc3ccccc3n2)n1 ZINC001116241812 802316141 /nfs/dbraw/zinc/31/61/41/802316141.db2.gz MVTXDYVFEXRKPJ-UHFFFAOYSA-N -1 3 283.356 3.331 20 0 CGADHM Fc1cc(F)c(Cl)c(-c2cccc(-c3nnn[n-]3)c2)c1 ZINC001243843155 803043672 /nfs/dbraw/zinc/04/36/72/803043672.db2.gz WQMGXHCBUHHZAE-UHFFFAOYSA-N -1 3 292.676 3.465 20 0 CGADHM Fc1cc(F)c(Cl)c(-c2cccc(-c3nn[n-]n3)c2)c1 ZINC001243843155 803043680 /nfs/dbraw/zinc/04/36/80/803043680.db2.gz WQMGXHCBUHHZAE-UHFFFAOYSA-N -1 3 292.676 3.465 20 0 CGADHM COc1ccc(-c2nnn[n-]2)cc1-c1c(C)cc(F)cc1C ZINC001243925074 803078446 /nfs/dbraw/zinc/07/84/46/803078446.db2.gz HTLCUQMLKOZFLC-UHFFFAOYSA-N -1 3 298.321 3.298 20 0 CGADHM COc1ccc(-c2nn[n-]n2)cc1-c1c(C)cc(F)cc1C ZINC001243925074 803078452 /nfs/dbraw/zinc/07/84/52/803078452.db2.gz HTLCUQMLKOZFLC-UHFFFAOYSA-N -1 3 298.321 3.298 20 0 CGADHM Cc1nc2ccc(-c3ccc(-c4nnn[n-]4)cc3C)cc2o1 ZINC001243963112 803103893 /nfs/dbraw/zinc/10/38/93/803103893.db2.gz PEVYSMYFDKHWTL-UHFFFAOYSA-N -1 3 291.314 3.292 20 0 CGADHM Cc1nc2ccc(-c3ccc(-c4nn[n-]n4)cc3C)cc2o1 ZINC001243963112 803103896 /nfs/dbraw/zinc/10/38/96/803103896.db2.gz PEVYSMYFDKHWTL-UHFFFAOYSA-N -1 3 291.314 3.292 20 0 CGADHM Cc1cnc2ncc(-c3c([O-])cccc3Cl)cc2n1 ZINC001244032927 803151841 /nfs/dbraw/zinc/15/18/41/803151841.db2.gz DRWCKXDEKVUOEQ-UHFFFAOYSA-N -1 3 271.707 3.359 20 0 CGADHM COc1cc2nccn2cc1-c1c([O-])cccc1Cl ZINC001244045029 803159632 /nfs/dbraw/zinc/15/96/32/803159632.db2.gz RVUUVCDXJQHMPR-UHFFFAOYSA-N -1 3 274.707 3.369 20 0 CGADHM Cc1cc(-c2nnn[n-]2)ccc1-c1ccc(Cl)cc1N ZINC001244200994 803241267 /nfs/dbraw/zinc/24/12/67/803241267.db2.gz QGVGYTNPHLYHKA-UHFFFAOYSA-N -1 3 285.738 3.078 20 0 CGADHM Cc1cc(-c2nn[n-]n2)ccc1-c1ccc(Cl)cc1N ZINC001244200994 803241269 /nfs/dbraw/zinc/24/12/69/803241269.db2.gz QGVGYTNPHLYHKA-UHFFFAOYSA-N -1 3 285.738 3.078 20 0 CGADHM Fc1cc(-c2ccc(-c3nnn[n-]3)cc2)c(F)cc1Cl ZINC001244302796 803287491 /nfs/dbraw/zinc/28/74/91/803287491.db2.gz QSZPBAKSIMJTCS-UHFFFAOYSA-N -1 3 292.676 3.465 20 0 CGADHM Fc1cc(-c2ccc(-c3nn[n-]n3)cc2)c(F)cc1Cl ZINC001244302796 803287496 /nfs/dbraw/zinc/28/74/96/803287496.db2.gz QSZPBAKSIMJTCS-UHFFFAOYSA-N -1 3 292.676 3.465 20 0 CGADHM CCOC(=O)c1cncc(-c2ccc(Cl)cc2[O-])c1 ZINC001244469122 803385613 /nfs/dbraw/zinc/38/56/13/803385613.db2.gz BIDCUFCFIPITFW-UHFFFAOYSA-N -1 3 277.707 3.284 20 0 CGADHM O=c1cc(-c2ccc(Cl)cc2[O-])ccn1CC1CC1 ZINC001244471636 803387777 /nfs/dbraw/zinc/38/77/77/803387777.db2.gz JPTFGXJZAGHQCK-UHFFFAOYSA-N -1 3 275.735 3.284 20 0 CGADHM Cc1cc(-c2ccc(Cl)cc2[O-])ccc1C(N)=O ZINC001244473441 803389070 /nfs/dbraw/zinc/38/90/70/803389070.db2.gz SGWLIDCKKXPXLW-UHFFFAOYSA-N -1 3 261.708 3.120 20 0 CGADHM CS(=O)(=O)Oc1ccc(-c2ccc(Cl)cc2[O-])cc1 ZINC001244473657 803389090 /nfs/dbraw/zinc/38/90/90/803389090.db2.gz VNQQNWKELGTYSN-UHFFFAOYSA-N -1 3 298.747 3.051 20 0 CGADHM CON(C)C(=O)c1ccccc1-c1ccc(Cl)cc1[O-] ZINC001244474217 803390540 /nfs/dbraw/zinc/39/05/40/803390540.db2.gz YGJYKCWXEDHEAF-UHFFFAOYSA-N -1 3 291.734 3.346 20 0 CGADHM CCOC(=O)c1ccnc(-c2cc(C)c(F)c([O-])c2)c1 ZINC001244494971 803403151 /nfs/dbraw/zinc/40/31/51/803403151.db2.gz AFRLFPZJCWDZHZ-UHFFFAOYSA-N -1 3 275.279 3.078 20 0 CGADHM Cc1cc(-c2nncc3ccccc32)cc([O-])c1F ZINC001244506243 803409904 /nfs/dbraw/zinc/40/99/04/803409904.db2.gz KRVPXJJBBOFVPM-UHFFFAOYSA-N -1 3 254.264 3.450 20 0 CGADHM COc1nc2ccccc2nc1-c1cc(C)c(F)c([O-])c1 ZINC001244507904 803411613 /nfs/dbraw/zinc/41/16/13/803411613.db2.gz ZWDMOMWCYHPTOK-UHFFFAOYSA-N -1 3 284.290 3.459 20 0 CGADHM COc1ccc2ncc(-c3cc(C)c(F)c([O-])c3)nc2c1 ZINC001244507742 803411701 /nfs/dbraw/zinc/41/17/01/803411701.db2.gz XEKIBDREVHDNQS-UHFFFAOYSA-N -1 3 284.290 3.459 20 0 CGADHM CSc1cncc(-c2cc(C)c(F)c([O-])c2)n1 ZINC001244507578 803411929 /nfs/dbraw/zinc/41/19/29/803411929.db2.gz MHIDKMCRXBHUSL-UHFFFAOYSA-N -1 3 250.298 3.019 20 0 CGADHM NCc1cccc(-c2c(Cl)cc(C(=O)[O-])cc2Cl)n1 ZINC001244513707 803412538 /nfs/dbraw/zinc/41/25/38/803412538.db2.gz JHYHNEZZFTYOLK-UHFFFAOYSA-N -1 3 297.141 3.212 20 0 CGADHM Cc1cc2nccn2cc1-c1cc(C)c(F)c([O-])c1 ZINC001244515292 803414368 /nfs/dbraw/zinc/41/43/68/803414368.db2.gz JDCNTBWQIZOSBO-UHFFFAOYSA-N -1 3 256.280 3.463 20 0 CGADHM Cc1cc(-c2ccc3nc(C)oc(=O)c3c2)cc([O-])c1F ZINC001244521266 803415568 /nfs/dbraw/zinc/41/55/68/803415568.db2.gz QUJHFQBWHPKBMX-UHFFFAOYSA-N -1 3 285.274 3.317 20 0 CGADHM Cc1cc(-c2ccn(-c3ccncc3)c(=O)c2)cc([O-])c1F ZINC001244525258 803418623 /nfs/dbraw/zinc/41/86/23/803418623.db2.gz NMBKGCBVJCCLDA-UHFFFAOYSA-N -1 3 296.301 3.053 20 0 CGADHM CSc1ncc(-c2cc(C)c(F)c([O-])c2)c(C)n1 ZINC001244525820 803419050 /nfs/dbraw/zinc/41/90/50/803419050.db2.gz TXRFAXZXYZTUCL-UHFFFAOYSA-N -1 3 264.325 3.327 20 0 CGADHM CCOc1ncc(-c2cc(C)c([O-])c(Cl)c2)cn1 ZINC001244538194 803425090 /nfs/dbraw/zinc/42/50/90/803425090.db2.gz RXMLLTYJWOKCPI-UHFFFAOYSA-N -1 3 264.712 3.210 20 0 CGADHM Cc1cc(-c2ccnc3[nH]cnc32)cc(Cl)c1[O-] ZINC001244545971 803431144 /nfs/dbraw/zinc/43/11/44/803431144.db2.gz CCMICNDOHAABDI-UHFFFAOYSA-N -1 3 259.696 3.292 20 0 CGADHM CC(=O)Nc1ccc(-c2cc(C)c([O-])c(Cl)c2)cn1 ZINC001244547523 803432091 /nfs/dbraw/zinc/43/20/91/803432091.db2.gz PFQZIAMOPJFMOC-UHFFFAOYSA-N -1 3 276.723 3.374 20 0 CGADHM Cc1cc(-c2c[nH]c3coc(=O)c-3c2)cc(Cl)c1[O-] ZINC001244552931 803434899 /nfs/dbraw/zinc/43/48/99/803434899.db2.gz DESPCNHXVHTMLN-UHFFFAOYSA-N -1 3 275.691 3.086 20 0 CGADHM Cc1cc(-c2cnc(=O)n(CC(C)C)c2)cc(Cl)c1[O-] ZINC001244554804 803435670 /nfs/dbraw/zinc/43/56/70/803435670.db2.gz OLSCZJKNTHDBDS-UHFFFAOYSA-N -1 3 292.766 3.234 20 0 CGADHM Cc1ncc(Nc2ccc(OC(C)C)cc2C)c(=O)[n-]1 ZINC001211812465 814944322 /nfs/dbraw/zinc/94/43/22/814944322.db2.gz BVDQLCMTNMRTTC-UHFFFAOYSA-N -1 3 273.336 3.330 20 0 CGADHM O=C(Nc1ccc(Cl)cc1)c1[n-]cnc1C(F)(F)F ZINC001135511104 803601102 /nfs/dbraw/zinc/60/11/02/803601102.db2.gz XQRQSNVYJWWDCM-UHFFFAOYSA-N -1 3 289.644 3.334 20 0 CGADHM O=C(Nc1ccc(Cl)cc1)c1nc[n-]c1C(F)(F)F ZINC001135511104 803601107 /nfs/dbraw/zinc/60/11/07/803601107.db2.gz XQRQSNVYJWWDCM-UHFFFAOYSA-N -1 3 289.644 3.334 20 0 CGADHM Cc1c(F)ccc(F)c1-c1ccccc1-c1nnn[n-]1 ZINC001244980320 803602369 /nfs/dbraw/zinc/60/23/69/803602369.db2.gz JXCLPUPNGXUDDH-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM Cc1c(F)ccc(F)c1-c1ccccc1-c1nn[n-]n1 ZINC001244980320 803602372 /nfs/dbraw/zinc/60/23/72/803602372.db2.gz JXCLPUPNGXUDDH-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM O=C(Nc1ccccc1Cl)c1[n-]cnc1C(F)(F)F ZINC001135679897 803609348 /nfs/dbraw/zinc/60/93/48/803609348.db2.gz SSVCLURWGCVLIX-UHFFFAOYSA-N -1 3 289.644 3.334 20 0 CGADHM O=C(Nc1ccccc1Cl)c1nc[n-]c1C(F)(F)F ZINC001135679897 803609351 /nfs/dbraw/zinc/60/93/51/803609351.db2.gz SSVCLURWGCVLIX-UHFFFAOYSA-N -1 3 289.644 3.334 20 0 CGADHM Cc1cccc([O-])c1C(=O)NCCCCc1ccccc1 ZINC001135894889 803619338 /nfs/dbraw/zinc/61/93/38/803619338.db2.gz ZGSOJZHWMAAOCB-UHFFFAOYSA-N -1 3 283.371 3.453 20 0 CGADHM [O-]c1ccc(-c2nccnc2OC2CCC2)c(Cl)c1 ZINC001245079390 803634678 /nfs/dbraw/zinc/63/46/78/803634678.db2.gz NBROTCBVIZSZEO-UHFFFAOYSA-N -1 3 276.723 3.434 20 0 CGADHM CCOc1cc(C)nc(-c2ccc([O-])cc2Cl)n1 ZINC001245082693 803637472 /nfs/dbraw/zinc/63/74/72/803637472.db2.gz YUOFQCCHIUBXRX-UHFFFAOYSA-N -1 3 264.712 3.210 20 0 CGADHM Cc1cccc([O-])c1C(=O)N[C@H](C)c1ccc(F)c(F)c1 ZINC001136836040 803654512 /nfs/dbraw/zinc/65/45/12/803654512.db2.gz OHPRCCMRYZEURZ-SNVBAGLBSA-N -1 3 291.297 3.470 20 0 CGADHM Fc1cc(C2=CC[C@@H](N3CCOCC3)CC2)ccc1[S-] ZINC001245426460 803733387 /nfs/dbraw/zinc/73/33/87/803733387.db2.gz ITJIEQZWCKPZLO-CQSZACIVSA-N -1 3 293.407 3.383 20 0 CGADHM CCc1ccc(NC(=O)c2cc3c(cc2[O-])OCO3)cc1C ZINC001137589564 803742283 /nfs/dbraw/zinc/74/22/83/803742283.db2.gz NNEIYGDSMBMGMC-UHFFFAOYSA-N -1 3 299.326 3.244 20 0 CGADHM Cc1cc(C)c(CCNC(=O)c2ccccc2[O-])c(C)c1 ZINC001137731755 803766867 /nfs/dbraw/zinc/76/68/67/803766867.db2.gz POXOIKNKPMKOFG-UHFFFAOYSA-N -1 3 283.371 3.290 20 0 CGADHM COc1cc(-c2ccc3c(c2)[N-]C(=S)C3)ccc1N ZINC001245506321 803776749 /nfs/dbraw/zinc/77/67/49/803776749.db2.gz WXFPWZHSNGRQCJ-UHFFFAOYSA-N -1 3 270.357 3.240 20 0 CGADHM CCOc1cccnc1Nc1ccc([O-])c(F)c1F ZINC001212000421 814964967 /nfs/dbraw/zinc/96/49/67/814964967.db2.gz ZUHGTKGXSZBDIK-UHFFFAOYSA-N -1 3 266.247 3.208 20 0 CGADHM Cc1cc(C[C@H](C)Nc2ccc([O-])c(F)c2F)on1 ZINC001211997714 814965056 /nfs/dbraw/zinc/96/50/56/814965056.db2.gz HPFGUZSRXMFVAC-ZETCQYMHSA-N -1 3 268.263 3.010 20 0 CGADHM Cc1ccc(/C=C/C(=O)Nc2ccc(Cl)cc2[O-])cn1 ZINC001138015019 803826048 /nfs/dbraw/zinc/82/60/48/803826048.db2.gz MXURZEDXABMMBR-QPJJXVBHSA-N -1 3 288.734 3.401 20 0 CGADHM O=C(Nc1ncccc1[O-])[C@H]1CCC[C@@H]1c1ccccc1 ZINC001138165961 803871413 /nfs/dbraw/zinc/87/14/13/803871413.db2.gz YEKSSPCUTMTYHL-KGLIPLIRSA-N -1 3 282.343 3.310 20 0 CGADHM O=C(Nc1cccc2cnncc21)c1cc([O-])ccc1Cl ZINC001138228635 803876216 /nfs/dbraw/zinc/87/62/16/803876216.db2.gz GMYIZJAODZKGIA-UHFFFAOYSA-N -1 3 299.717 3.241 20 0 CGADHM COC(=O)c1cc2[nH]ccc2cc1-c1c([O-])cccc1F ZINC001245653065 803884854 /nfs/dbraw/zinc/88/48/54/803884854.db2.gz JCAACOSRIIMIBF-UHFFFAOYSA-N -1 3 285.274 3.466 20 0 CGADHM COc1c(F)ccc(-c2c([O-])cccc2F)c1F ZINC001245655928 803887531 /nfs/dbraw/zinc/88/75/31/803887531.db2.gz GBIJSEAYTKGGLI-UHFFFAOYSA-N -1 3 254.207 3.485 20 0 CGADHM O=C1Nc2ccc(-c3c([O-])cccc3F)cc2C12CC2 ZINC001245655996 803887819 /nfs/dbraw/zinc/88/78/19/803887819.db2.gz OFBLTWRSSRVTGS-UHFFFAOYSA-N -1 3 269.275 3.182 20 0 CGADHM Cn1ccc2cc(-c3c([O-])cccc3F)ccc2c1=O ZINC001245656757 803890124 /nfs/dbraw/zinc/89/01/24/803890124.db2.gz STCLRBXSAKGKCO-UHFFFAOYSA-N -1 3 269.275 3.050 20 0 CGADHM COc1cc(OC)c(-c2c([O-])cccc2F)cc1OC ZINC001245657182 803892740 /nfs/dbraw/zinc/89/27/40/803892740.db2.gz WCJKQXOPCIATAW-UHFFFAOYSA-N -1 3 278.279 3.224 20 0 CGADHM COc1cc(C)c(-c2ccc(-c3nnn[n-]3)cc2C)c(C)c1 ZINC001245682033 803908739 /nfs/dbraw/zinc/90/87/39/803908739.db2.gz ITEZYMMHNAYVRO-UHFFFAOYSA-N -1 3 294.358 3.468 20 0 CGADHM COc1cc(C)c(-c2ccc(-c3nn[n-]n3)cc2C)c(C)c1 ZINC001245682033 803908749 /nfs/dbraw/zinc/90/87/49/803908749.db2.gz ITEZYMMHNAYVRO-UHFFFAOYSA-N -1 3 294.358 3.468 20 0 CGADHM Fc1c(Cl)ccc(-c2cccc(-c3nnn[n-]3)c2)c1F ZINC001245741324 803936541 /nfs/dbraw/zinc/93/65/41/803936541.db2.gz KQLSTCNBOKBLAK-UHFFFAOYSA-N -1 3 292.676 3.465 20 0 CGADHM Fc1c(Cl)ccc(-c2cccc(-c3nn[n-]n3)c2)c1F ZINC001245741324 803936544 /nfs/dbraw/zinc/93/65/44/803936544.db2.gz KQLSTCNBOKBLAK-UHFFFAOYSA-N -1 3 292.676 3.465 20 0 CGADHM CSc1ccc(F)c(-c2ccc(=S)[n-]n2)c1 ZINC001245747483 803940465 /nfs/dbraw/zinc/94/04/65/803940465.db2.gz NAGQRGOGPDXMDB-UHFFFAOYSA-N -1 3 252.339 3.293 20 0 CGADHM CCc1cccc(C(=O)N2CC[C@H](CC)[C@H]2C)c1[O-] ZINC001138452249 803942443 /nfs/dbraw/zinc/94/24/43/803942443.db2.gz NJNJFJOMZITBTE-NEPJUHHUSA-N -1 3 261.365 3.215 20 0 CGADHM C[C@@H]1C[C@H](C)CN(Cc2ccc([O-])c(F)c2F)C1 ZINC001140892234 804542135 /nfs/dbraw/zinc/54/21/35/804542135.db2.gz FVLNSYBLIFFVPC-AOOOYVTPSA-N -1 3 255.308 3.148 20 0 CGADHM CN(CCc1ccccc1F)Cc1ccc([O-])c(F)c1F ZINC001140892158 804542393 /nfs/dbraw/zinc/54/23/93/804542393.db2.gz CMLBUXPOQRXRBU-UHFFFAOYSA-N -1 3 295.304 3.484 20 0 CGADHM CCON(Cc1ccccc1)C(=O)c1cc(C)ccc1[O-] ZINC001141892159 804678281 /nfs/dbraw/zinc/67/82/81/804678281.db2.gz UBHGOWWQXXGYAZ-UHFFFAOYSA-N -1 3 285.343 3.295 20 0 CGADHM C[C@@H]1CN(Cc2c(Cl)cc([O-])cc2Cl)C[C@@H](C)O1 ZINC001142101980 804695167 /nfs/dbraw/zinc/69/51/67/804695167.db2.gz LPZIDEHGFXEQOD-RKDXNWHRSA-N -1 3 290.190 3.308 20 0 CGADHM C[C@H]1CC(=O)CCN1Cc1c(Cl)cc([O-])cc1Cl ZINC001142105813 804695191 /nfs/dbraw/zinc/69/51/91/804695191.db2.gz OLAKLHJJARRSFN-QMMMGPOBSA-N -1 3 288.174 3.252 20 0 CGADHM CN(Cc1c(Cl)cc([O-])cc1Cl)[C@@H]1CCCOC1 ZINC001142122103 804696549 /nfs/dbraw/zinc/69/65/49/804696549.db2.gz JOPOCHRGVPXNFY-SECBINFHSA-N -1 3 290.190 3.310 20 0 CGADHM CC(=O)c1cccnc1Nc1cc(F)cc(F)c1[O-] ZINC001212478142 815033428 /nfs/dbraw/zinc/03/34/28/815033428.db2.gz XIDLWZUDDFUMRJ-UHFFFAOYSA-N -1 3 264.231 3.012 20 0 CGADHM O=C(/C=C/c1ccoc1)Nc1cc([O-])cc(Cl)c1 ZINC001142261743 804710467 /nfs/dbraw/zinc/71/04/67/804710467.db2.gz MXQIPKFMTGQGPK-OWOJBTEDSA-N -1 3 263.680 3.291 20 0 CGADHM CCn1ncc2ccc(NC(=O)c3c(C)cccc3[O-])cc21 ZINC001142810195 804772489 /nfs/dbraw/zinc/77/24/89/804772489.db2.gz FKCAXYVAKGYNSK-UHFFFAOYSA-N -1 3 295.342 3.323 20 0 CGADHM C[C@@H]1CCCN(Cc2c(F)cc([O-])cc2F)CC1 ZINC001144545073 805000865 /nfs/dbraw/zinc/00/08/65/805000865.db2.gz QYBRYIGGNNEJRL-SNVBAGLBSA-N -1 3 255.308 3.292 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)Nc1ccc2ccncc2c1 ZINC001144631374 805015529 /nfs/dbraw/zinc/01/55/29/805015529.db2.gz PEHVLTONPFCHCN-UHFFFAOYSA-N -1 3 296.301 3.261 20 0 CGADHM C[C@@H]1CCCN(Cc2cc(F)c([O-])cc2F)[C@H]1C ZINC001144666710 805030945 /nfs/dbraw/zinc/03/09/45/805030945.db2.gz MSOZGGOTCXCRAM-ZJUUUORDSA-N -1 3 255.308 3.291 20 0 CGADHM C[C@@H]1CCCC[C@@H]1CCNC(=O)c1ccccc1[O-] ZINC001146712411 805082072 /nfs/dbraw/zinc/08/20/72/805082072.db2.gz VNZGSKRFKLHHQO-CHWSQXEVSA-N -1 3 261.365 3.338 20 0 CGADHM CN(Cc1ccc(F)c(C(=O)[O-])c1F)CC1CCCC1 ZINC001249776501 805241053 /nfs/dbraw/zinc/24/10/53/805241053.db2.gz NYOLJKXWIAKECJ-UHFFFAOYSA-N -1 3 283.318 3.285 20 0 CGADHM CCc1cccc(C(=O)Nc2cc(F)cc(OC)c2)c1[O-] ZINC001150625231 805261293 /nfs/dbraw/zinc/26/12/93/805261293.db2.gz CEMDFPMKZPQMGK-UHFFFAOYSA-N -1 3 289.306 3.355 20 0 CGADHM O=c1[n-]cncc1Nc1cc2c(cccc2Cl)[nH]1 ZINC001249861816 805265970 /nfs/dbraw/zinc/26/59/70/805265970.db2.gz WQJAAJGPUQSKLT-UHFFFAOYSA-N -1 3 260.684 3.061 20 0 CGADHM O=c1cc(Nc2cc3ccc(F)cc3[nH]2)nc(C2CC2)[n-]1 ZINC001249873736 805272115 /nfs/dbraw/zinc/27/21/15/805272115.db2.gz BKTQMKJEJCLZDT-UHFFFAOYSA-N -1 3 284.294 3.424 20 0 CGADHM c1cc2cccc([N-]c3noc4nccnc34)c2o1 ZINC001249912176 805302100 /nfs/dbraw/zinc/30/21/00/805302100.db2.gz KLNFTRBBISEOMD-UHFFFAOYSA-N -1 3 252.233 3.108 20 0 CGADHM [O-]c1cc(Nc2cnc3ccccn23)c(F)c(F)c1F ZINC001249959326 805327729 /nfs/dbraw/zinc/32/77/29/805327729.db2.gz UMZLDIFVQRTADE-UHFFFAOYSA-N -1 3 279.221 3.201 20 0 CGADHM COc1cc(C)c(Nc2ncc(F)cc2[O-])c(C)c1 ZINC001250034056 805381547 /nfs/dbraw/zinc/38/15/47/805381547.db2.gz IBEOFCHMVIFUFW-UHFFFAOYSA-N -1 3 262.284 3.295 20 0 CGADHM CC(C)(C(=O)Nc1ccc(Cl)cc1[O-])c1nccs1 ZINC001153462322 805399174 /nfs/dbraw/zinc/39/91/74/805399174.db2.gz VQUFMDQFLRILOQ-UHFFFAOYSA-N -1 3 296.779 3.418 20 0 CGADHM CCOc1cc(F)c(Nc2cc(=O)[n-]c(C)n2)cc1Cl ZINC001250068778 805402071 /nfs/dbraw/zinc/40/20/71/805402071.db2.gz XQTSPCKLIMEISA-UHFFFAOYSA-N -1 3 297.717 3.425 20 0 CGADHM CC(C)[C@H](C)NC(=O)c1c(O)cc2ccccc2c1[O-] ZINC001154019394 805427359 /nfs/dbraw/zinc/42/73/59/805427359.db2.gz MZJBPAPGIIRSIO-JTQLQIEISA-N -1 3 273.332 3.025 20 0 CGADHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@@H](C)C(C)(C)C ZINC001154067686 805431000 /nfs/dbraw/zinc/43/10/00/805431000.db2.gz MSOVFPJIDWBAKF-NXEZZACHSA-N -1 3 250.342 3.044 20 0 CGADHM COC(=O)c1ccc(Cc2cccc(Cl)c2[O-])cc1 ZINC001250126730 805431228 /nfs/dbraw/zinc/43/12/28/805431228.db2.gz DUDQZJDMKCIBOJ-UHFFFAOYSA-N -1 3 276.719 3.423 20 0 CGADHM CC(C)c1nnc(Nc2ccc(Cl)c([O-])c2)o1 ZINC001212587918 815077318 /nfs/dbraw/zinc/07/73/18/815077318.db2.gz ABTRMEGRTFLSHQ-UHFFFAOYSA-N -1 3 253.689 3.296 20 0 CGADHM CN(C)c1cncc(Nc2ccc(Cl)c([O-])c2)c1 ZINC001212590440 815078258 /nfs/dbraw/zinc/07/82/58/815078258.db2.gz MNAHQCNCVKMOPE-UHFFFAOYSA-N -1 3 263.728 3.250 20 0 CGADHM COC(=O)c1ccc(Nc2ccc(Cl)c([O-])c2)o1 ZINC001212589425 815078641 /nfs/dbraw/zinc/07/86/41/815078641.db2.gz KVTIJZAYLJBOBN-UHFFFAOYSA-N -1 3 267.668 3.169 20 0 CGADHM COc1nc(Cl)ncc1Nc1ccc(Cl)c([O-])c1 ZINC001212589673 815078755 /nfs/dbraw/zinc/07/87/55/815078755.db2.gz YJOAVXFDCWIDQL-UHFFFAOYSA-N -1 3 286.118 3.241 20 0 CGADHM COc1cc(N)ccc1Nc1ccc(Cl)c([O-])c1 ZINC001212593309 815080118 /nfs/dbraw/zinc/08/01/18/815080118.db2.gz KUGXJFJRTRORQE-UHFFFAOYSA-N -1 3 264.712 3.380 20 0 CGADHM [O-]c1cc(Nc2cccc(CO)c2F)ccc1Cl ZINC001212593584 815081039 /nfs/dbraw/zinc/08/10/39/815081039.db2.gz YRCNMFVQTJFYPD-UHFFFAOYSA-N -1 3 267.687 3.421 20 0 CGADHM [O-]c1ccc(O)cc1-c1nnc(CCCc2ccccc2)o1 ZINC001257818946 807222707 /nfs/dbraw/zinc/22/27/07/807222707.db2.gz GBFWMVWOTNEGEM-UHFFFAOYSA-N -1 3 296.326 3.323 20 0 CGADHM S=C1Cc2ccc(NC3(c4ccccn4)CC3)cc2[N-]1 ZINC001168151348 807326228 /nfs/dbraw/zinc/32/62/28/807326228.db2.gz NOVPKPZHOSRQSA-UHFFFAOYSA-N -1 3 281.384 3.478 20 0 CGADHM CN1CCN(c2cccc(Nc3ccc([S-])cc3)c2)CC1 ZINC001212714587 815112136 /nfs/dbraw/zinc/11/21/36/815112136.db2.gz FWBUEBWOCJEXGI-UHFFFAOYSA-N -1 3 299.443 3.471 20 0 CGADHM CCCc1ccc(CNc2ccc(=S)[n-]n2)cc1 ZINC001168634852 807461022 /nfs/dbraw/zinc/46/10/22/807461022.db2.gz CDXVWRNMFHGHER-UHFFFAOYSA-N -1 3 259.378 3.330 20 0 CGADHM CC[C@H](CC(=O)[N-]OCc1cccc(C)n1)C(C)(C)C ZINC001168641436 807464024 /nfs/dbraw/zinc/46/40/24/807464024.db2.gz AKVVDRCNQXNFBM-CYBMUJFWSA-N -1 3 278.396 3.400 20 0 CGADHM COc1ccc(-c2nnn[n-]2)cc1NCCC1=CCCCC1 ZINC001168771498 807510361 /nfs/dbraw/zinc/51/03/61/807510361.db2.gz BMKIQHXYENDZFW-UHFFFAOYSA-N -1 3 299.378 3.178 20 0 CGADHM COc1ccc(-c2nn[n-]n2)cc1NCCC1=CCCCC1 ZINC001168771498 807510363 /nfs/dbraw/zinc/51/03/63/807510363.db2.gz BMKIQHXYENDZFW-UHFFFAOYSA-N -1 3 299.378 3.178 20 0 CGADHM Cc1cc(CO)cc(Nc2cc(F)c([O-])c(F)c2)c1 ZINC001212756442 815128298 /nfs/dbraw/zinc/12/82/98/815128298.db2.gz MOLLBSXOBJCEBC-UHFFFAOYSA-N -1 3 265.259 3.215 20 0 CGADHM FC(F)(F)[C@@H](Nc1ccccc1-c1nnn[n-]1)C1CCC1 ZINC001169284414 807622311 /nfs/dbraw/zinc/62/23/11/807622311.db2.gz IHIKUGLSKFQZFW-NSHDSACASA-N -1 3 297.284 3.010 20 0 CGADHM FC(F)(F)[C@@H](Nc1ccccc1-c1nn[n-]n1)C1CCC1 ZINC001169284414 807622313 /nfs/dbraw/zinc/62/23/13/807622313.db2.gz IHIKUGLSKFQZFW-NSHDSACASA-N -1 3 297.284 3.010 20 0 CGADHM [O-]c1cccnc1CNc1ccc(-c2c[nH]c(=S)[nH]2)cc1 ZINC001169731551 807699571 /nfs/dbraw/zinc/69/95/71/807699571.db2.gz AAGFONGLXNNPBJ-UHFFFAOYSA-N -1 3 298.371 3.078 20 0 CGADHM CC(C)(C)c1nc(Cl)cc(NCc2ncccc2[O-])n1 ZINC001169731996 807700245 /nfs/dbraw/zinc/70/02/45/807700245.db2.gz VUJMITHUJDRUQN-UHFFFAOYSA-N -1 3 292.770 3.140 20 0 CGADHM O=c1cc(Nc2cccc3[nH]cnc32)[n-]n1-c1ccccc1 ZINC001213028984 815203691 /nfs/dbraw/zinc/20/36/91/815203691.db2.gz BVBQYVLWNCMJBF-UHFFFAOYSA-N -1 3 291.314 3.198 20 0 CGADHM CCOC(=O)c1nonc1[N-]c1cccc2ccccc21 ZINC001173795212 808672938 /nfs/dbraw/zinc/67/29/38/808672938.db2.gz NIBAKSAMWMZISF-UHFFFAOYSA-N -1 3 283.287 3.143 20 0 CGADHM NC(=O)c1ccc(Nc2cccc3ccccc32)cc1[O-] ZINC001173797473 808673961 /nfs/dbraw/zinc/67/39/61/808673961.db2.gz NWBOSRUVTFMJGL-UHFFFAOYSA-N -1 3 278.311 3.388 20 0 CGADHM COc1cccc(Nc2c(F)cc([O-])cc2F)c1 ZINC001173826554 808691984 /nfs/dbraw/zinc/69/19/84/808691984.db2.gz DOKDTCZIIKYRIS-UHFFFAOYSA-N -1 3 251.232 3.423 20 0 CGADHM CC(=O)Nc1cccc(Nc2ncc(Cl)cc2[O-])c1 ZINC001173830254 808695071 /nfs/dbraw/zinc/69/50/71/808695071.db2.gz NJHLAFOOBNCIOB-UHFFFAOYSA-N -1 3 277.711 3.143 20 0 CGADHM CN(C)c1nc(Nc2ccccc2C(F)(F)F)cc(=O)[n-]1 ZINC001173842258 808705811 /nfs/dbraw/zinc/70/58/11/808705811.db2.gz IBXKGJLKUSLPLU-UHFFFAOYSA-N -1 3 298.268 3.011 20 0 CGADHM CN(C)Cc1ccccc1[N-]c1noc(C(C)(C)C)n1 ZINC001173928044 808767189 /nfs/dbraw/zinc/76/71/89/808767189.db2.gz VVPZKTGUQGQLDS-UHFFFAOYSA-N -1 3 274.368 3.172 20 0 CGADHM FC(F)(F)c1cccc2nc([N-]c3ccoc3)nn21 ZINC001173933488 808771525 /nfs/dbraw/zinc/77/15/25/808771525.db2.gz CBOBKDSLPWFBCA-UHFFFAOYSA-N -1 3 268.198 3.085 20 0 CGADHM CS(=O)(=O)c1ccc(Nc2cccc(Cl)c2[O-])cc1 ZINC001173942642 808776558 /nfs/dbraw/zinc/77/65/58/808776558.db2.gz XVRAKHDQBAYRQX-UHFFFAOYSA-N -1 3 297.763 3.193 20 0 CGADHM CC(=O)Nc1ccccc1Nc1cc([O-])c(F)cc1F ZINC001173994228 808809487 /nfs/dbraw/zinc/80/94/87/808809487.db2.gz IRJVEQOFBDTEFF-UHFFFAOYSA-N -1 3 278.258 3.372 20 0 CGADHM COc1ccc2cc(Nc3cnc(C)[n-]c3=O)ccc2c1 ZINC001174030568 808831444 /nfs/dbraw/zinc/83/14/44/808831444.db2.gz JEFREKJUTNJLAP-UHFFFAOYSA-N -1 3 281.315 3.396 20 0 CGADHM COc1ncccc1Nc1cccc([O-])c1Cl ZINC001174042142 808840652 /nfs/dbraw/zinc/84/06/52/808840652.db2.gz DMEBUQRPTVBMNZ-UHFFFAOYSA-N -1 3 250.685 3.193 20 0 CGADHM COCc1cccc([N-]c2nnc(-c3ccco3)o2)c1 ZINC001174091854 808858709 /nfs/dbraw/zinc/85/87/09/808858709.db2.gz IXNODIIPZZSHHN-UHFFFAOYSA-N -1 3 271.276 3.220 20 0 CGADHM CC(C)CCn1cc(Nc2ncc(Cl)cc2[O-])cn1 ZINC001174415764 809009930 /nfs/dbraw/zinc/00/99/30/809009930.db2.gz VRWDKPQQJWGFMC-UHFFFAOYSA-N -1 3 280.759 3.427 20 0 CGADHM CSc1cc(F)ccc1[N-]C(=O)c1ccc(Cl)nn1 ZINC001277095203 809058516 /nfs/dbraw/zinc/05/85/16/809058516.db2.gz UUPFNLPUJCVEDZ-UHFFFAOYSA-N -1 3 297.742 3.243 20 0 CGADHM [O-]c1cc(F)cnc1Nc1ccc(N2CCCC2)cc1 ZINC001174526303 809062676 /nfs/dbraw/zinc/06/26/76/809062676.db2.gz LNZKROJVELQJRW-UHFFFAOYSA-N -1 3 273.311 3.270 20 0 CGADHM COc1c(F)ccc(F)c1Nc1ncc(Cl)cc1[O-] ZINC001174660002 809121148 /nfs/dbraw/zinc/12/11/48/809121148.db2.gz NPYKAWNWHKUGEW-UHFFFAOYSA-N -1 3 286.665 3.471 20 0 CGADHM Cc1cn2c(cccc2Nc2cc(F)c([O-])c(F)c2)n1 ZINC001213370670 815270720 /nfs/dbraw/zinc/27/07/20/815270720.db2.gz LAOYXCWQQLIAHC-UHFFFAOYSA-N -1 3 275.258 3.370 20 0 CGADHM CC(=O)c1cccc(Nc2cc(F)c([O-])c(F)c2)n1 ZINC001213377321 815273108 /nfs/dbraw/zinc/27/31/08/815273108.db2.gz JHFBANJXRQPTBD-UHFFFAOYSA-N -1 3 264.231 3.012 20 0 CGADHM CC(C)c1nccnc1Nc1cc(F)c([O-])c(F)c1 ZINC001213379242 815273120 /nfs/dbraw/zinc/27/31/20/815273120.db2.gz ICRHDQYZUOXAIV-UHFFFAOYSA-N -1 3 265.263 3.327 20 0 CGADHM CCOc1cc([N-]c2nnc(C(C)C)o2)ccc1F ZINC001175047037 809251353 /nfs/dbraw/zinc/25/13/53/809251353.db2.gz BMYRQAIFSKZCCZ-UHFFFAOYSA-N -1 3 265.288 3.474 20 0 CGADHM O=c1[n-]cncc1Nc1cc(F)cc(C(F)(F)F)c1 ZINC001175062539 809256273 /nfs/dbraw/zinc/25/62/73/809256273.db2.gz LFLSPIVWBFDNKA-UHFFFAOYSA-N -1 3 273.189 3.084 20 0 CGADHM NC(=O)c1ccc(Cl)c(Nc2cc(F)c([O-])c(F)c2)c1 ZINC001213381820 815274498 /nfs/dbraw/zinc/27/44/98/815274498.db2.gz JMXMTLLXEOISHR-UHFFFAOYSA-N -1 3 298.676 3.166 20 0 CGADHM COc1ccc(Nc2c(F)cc([O-])cc2F)cc1O ZINC001175099913 809270635 /nfs/dbraw/zinc/27/06/35/809270635.db2.gz GQQNQLVJMUKQCS-UHFFFAOYSA-N -1 3 267.231 3.128 20 0 CGADHM Cn1cnc2c1cccc2Nc1c(F)cc([O-])cc1F ZINC001175102543 809272839 /nfs/dbraw/zinc/27/28/39/809272839.db2.gz ODKHIILNQCTTJQ-UHFFFAOYSA-N -1 3 275.258 3.301 20 0 CGADHM Cc1ncc(Nc2ccc(Cl)c(F)c2)c(=O)[n-]1 ZINC001175205557 809308411 /nfs/dbraw/zinc/30/84/11/809308411.db2.gz POLLBIUJYJGCDK-UHFFFAOYSA-N -1 3 253.664 3.027 20 0 CGADHM [O-]c1ccc(F)c(Nc2cnn3cc(F)ccc23)c1F ZINC001175264227 809329871 /nfs/dbraw/zinc/32/98/71/809329871.db2.gz CMLBDOYXNRBYFO-UHFFFAOYSA-N -1 3 279.221 3.201 20 0 CGADHM Cc1ccnc(F)c1Nc1c(F)ccc([O-])c1F ZINC001175263247 809329884 /nfs/dbraw/zinc/32/98/84/809329884.db2.gz QOGPSJWHQXEDBL-UHFFFAOYSA-N -1 3 254.211 3.257 20 0 CGADHM CC(C)n1cc(Nc2c(F)ccc([O-])c2F)cn1 ZINC001175263301 809330022 /nfs/dbraw/zinc/33/00/22/809330022.db2.gz RVJCDBRHYQKQND-UHFFFAOYSA-N -1 3 253.252 3.191 20 0 CGADHM [O-]c1ccc(F)c(Nc2cncc(N3CCCC3)c2)c1F ZINC001175266649 809331245 /nfs/dbraw/zinc/33/12/45/809331245.db2.gz VJQXGQPJYBIVAJ-UHFFFAOYSA-N -1 3 291.301 3.409 20 0 CGADHM COc1cc(Nc2c(F)ccc([O-])c2F)cc(OC)c1 ZINC001175266001 809331430 /nfs/dbraw/zinc/33/14/30/809331430.db2.gz RZFJNAFXCFSXQI-UHFFFAOYSA-N -1 3 281.258 3.431 20 0 CGADHM c1cnc(C2CCC2)c(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001175426713 809400690 /nfs/dbraw/zinc/40/06/90/809400690.db2.gz AYEVMQYDKPCKPS-UHFFFAOYSA-N -1 3 292.346 3.273 20 0 CGADHM CCc1ccc(Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001175428108 809401649 /nfs/dbraw/zinc/40/16/49/809401649.db2.gz DHIVNCSCTWNUFW-UHFFFAOYSA-N -1 3 265.320 3.173 20 0 CGADHM Cc1cc(C)c(Nc2ccc(-c3nn[n-]n3)cc2)c(C)c1N ZINC001175429761 809401795 /nfs/dbraw/zinc/40/17/95/809401795.db2.gz OOVCMESCQQMXKR-UHFFFAOYSA-N -1 3 294.362 3.118 20 0 CGADHM CCOc1cccc(F)c1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175431814 809402944 /nfs/dbraw/zinc/40/29/44/809402944.db2.gz OIPFOHPOQJJEDI-UHFFFAOYSA-N -1 3 299.309 3.148 20 0 CGADHM Clc1cc(-c2nc(-c3cccc4ccncc43)no2)[n-]n1 ZINC001213500387 815291531 /nfs/dbraw/zinc/29/15/31/815291531.db2.gz GEAKVTUYVFLUQN-UHFFFAOYSA-N -1 3 297.705 3.328 20 0 CGADHM CC(C)(C(=O)Nc1cccc([O-])c1F)c1cccc(O)c1 ZINC001295128506 809482392 /nfs/dbraw/zinc/48/23/92/809482392.db2.gz WAOUDGIJLLRGHP-UHFFFAOYSA-N -1 3 289.306 3.153 20 0 CGADHM Cc1cc(C)c(NC(=O)c2[n-]cnc2C(F)(F)F)cc1O ZINC001296083246 809497754 /nfs/dbraw/zinc/49/77/54/809497754.db2.gz DXVDDYPSCDZYNC-UHFFFAOYSA-N -1 3 299.252 3.003 20 0 CGADHM Cc1cc(C)c(NC(=O)c2nc[n-]c2C(F)(F)F)cc1O ZINC001296083246 809497761 /nfs/dbraw/zinc/49/77/61/809497761.db2.gz DXVDDYPSCDZYNC-UHFFFAOYSA-N -1 3 299.252 3.003 20 0 CGADHM COc1ccccc1C[C@H](C)NC(=O)c1c(C)cccc1[O-] ZINC001297231194 809514808 /nfs/dbraw/zinc/51/48/08/809514808.db2.gz FAIJMHUWKKPGRL-ZDUSSCGKSA-N -1 3 299.370 3.070 20 0 CGADHM CC(=O)c1cccc(NC(=O)C(C)=Cc2ccncc2)c1[O-] ZINC001298748990 809538145 /nfs/dbraw/zinc/53/81/45/809538145.db2.gz KJRCZPYCYZOITQ-ZHACJKMWSA-N -1 3 296.326 3.032 20 0 CGADHM O=C(Oc1cccc2c1OCCC2)c1cc2occc2[n-]1 ZINC001299884290 809557988 /nfs/dbraw/zinc/55/79/88/809557988.db2.gz MUUKQWXSVYFULC-UHFFFAOYSA-N -1 3 283.283 3.305 20 0 CGADHM COc1cc(Nc2ccnc(C3CC3)c2)cc(C(=O)[O-])c1 ZINC001213589167 815306884 /nfs/dbraw/zinc/30/68/84/815306884.db2.gz RSQXPKJCOQAQQY-UHFFFAOYSA-N -1 3 284.315 3.409 20 0 CGADHM Cc1ncc(Nc2ccc(-c3ccccn3)cc2)c(=O)[n-]1 ZINC001176038323 809606872 /nfs/dbraw/zinc/60/68/72/809606872.db2.gz MMAOBTFIZIXXGK-UHFFFAOYSA-N -1 3 278.315 3.296 20 0 CGADHM O=c1cc(Nc2cccc(Cl)c2)nc(C2CC2)[n-]1 ZINC001176220095 809649587 /nfs/dbraw/zinc/64/95/87/809649587.db2.gz XXRNUCTVVROFPR-UHFFFAOYSA-N -1 3 261.712 3.457 20 0 CGADHM Cc1nnc([N-]c2cccc(OC(F)(F)F)c2)o1 ZINC001176536349 809711964 /nfs/dbraw/zinc/71/19/64/809711964.db2.gz VERXJLIYJRAMTQ-UHFFFAOYSA-N -1 3 259.187 3.020 20 0 CGADHM CC(C)(C)c1nc([N-]c2ccc(Cl)cc2N)no1 ZINC001213644570 815316551 /nfs/dbraw/zinc/31/65/51/815316551.db2.gz WTQJILLUYOFEBR-UHFFFAOYSA-N -1 3 266.732 3.346 20 0 CGADHM Cc1ccc(C(=O)Nc2ccc(C(C)C)nc2)c([O-])c1 ZINC001178533997 809873449 /nfs/dbraw/zinc/87/34/49/809873449.db2.gz CRONHNDVSOFQQJ-UHFFFAOYSA-N -1 3 270.332 3.471 20 0 CGADHM O=C(Cc1cc(F)c(F)c(F)c1)Nc1ccc(F)c([O-])c1 ZINC001179957035 809962549 /nfs/dbraw/zinc/96/25/49/809962549.db2.gz OCMGHJASQLNFJA-UHFFFAOYSA-N -1 3 299.223 3.130 20 0 CGADHM Cc1c2ccccc2sc1CC(=O)Nc1ncccc1[O-] ZINC001183241596 810142455 /nfs/dbraw/zinc/14/24/55/810142455.db2.gz OOFCQVHPICSFMO-UHFFFAOYSA-N -1 3 298.367 3.492 20 0 CGADHM [O-]c1ccc(CN2CC[C@@H](c3nccs3)C2)c(F)c1F ZINC001183526645 810152148 /nfs/dbraw/zinc/15/21/48/810152148.db2.gz PYOBRXWOAKJNCJ-SNVBAGLBSA-N -1 3 296.342 3.116 20 0 CGADHM CC(C)CC(=O)C(=O)[N-]c1cc(-c2ccc(F)cc2)no1 ZINC001184325288 810192106 /nfs/dbraw/zinc/19/21/06/810192106.db2.gz UONBMXHEAUBJKC-UHFFFAOYSA-N -1 3 290.294 3.034 20 0 CGADHM Cc1ccc(CNC(=O)Nc2ccc(F)c([O-])c2)cc1 ZINC001185401452 810261624 /nfs/dbraw/zinc/26/16/24/810261624.db2.gz OWWBBAFBSWZMRG-UHFFFAOYSA-N -1 3 274.295 3.161 20 0 CGADHM O=C(Nc1nc2c(cccc2[O-])s1)Nc1cccnc1 ZINC001185645748 810280703 /nfs/dbraw/zinc/28/07/03/810280703.db2.gz DALKPCVYOSZOTC-UHFFFAOYSA-N -1 3 286.316 3.041 20 0 CGADHM CCCCc1ccc(NC(=O)Nc2cnc[n-]c2=O)cc1 ZINC001187722677 810420434 /nfs/dbraw/zinc/42/04/34/810420434.db2.gz RTFGAIRPXIMCSE-UHFFFAOYSA-N -1 3 286.335 3.169 20 0 CGADHM Cc1nc(NC(=O)Nc2ccc3ccccc3c2)cc(=O)[n-]1 ZINC001188581646 810488889 /nfs/dbraw/zinc/48/88/89/810488889.db2.gz HWULRMSUCZZLOO-UHFFFAOYSA-N -1 3 294.314 3.288 20 0 CGADHM Cc1cccc([O-])c1C(=O)Nc1ncccc1C(C)C ZINC001188640020 810497176 /nfs/dbraw/zinc/49/71/76/810497176.db2.gz BMATZFFGSNMNQQ-UHFFFAOYSA-N -1 3 270.332 3.471 20 0 CGADHM Cc1cccc([O-])c1C(=O)N[C@H](C)c1cc(F)cc(F)c1 ZINC001188660218 810500498 /nfs/dbraw/zinc/50/04/98/810500498.db2.gz VYMLTQUDWHUZKU-SNVBAGLBSA-N -1 3 291.297 3.470 20 0 CGADHM CC(=O)c1cccc([O-])c1NC(=O)c1c(C)cccc1C ZINC001189056105 810538410 /nfs/dbraw/zinc/53/84/10/810538410.db2.gz FDLKYDMSOYQHFO-UHFFFAOYSA-N -1 3 283.327 3.464 20 0 CGADHM CCC(C)(C)C[N-]S(=O)(=O)c1cc(C)c(Cl)s1 ZINC001189185941 810547943 /nfs/dbraw/zinc/54/79/43/810547943.db2.gz PLAYDYUMWYKPCN-UHFFFAOYSA-N -1 3 295.857 3.424 20 0 CGADHM CC(C)(C)c1ccc(C(=O)NCC(C)(F)F)c([O-])c1 ZINC001192314787 810786379 /nfs/dbraw/zinc/78/63/79/810786379.db2.gz TYNMQMQSUVJXOM-UHFFFAOYSA-N -1 3 271.307 3.075 20 0 CGADHM O=S(=O)(CC1CCC1)[N-]c1csc2ccccc12 ZINC001193471256 810892092 /nfs/dbraw/zinc/89/20/92/810892092.db2.gz LSSBNWAMODUCFH-UHFFFAOYSA-N -1 3 281.402 3.443 20 0 CGADHM COc1nc(C)c(C(=O)Nc2cc([O-])cc(Cl)c2)s1 ZINC001193493961 810897043 /nfs/dbraw/zinc/89/70/43/810897043.db2.gz ZCWUANRMDSKKMO-UHFFFAOYSA-N -1 3 298.751 3.071 20 0 CGADHM CC(=O)c1cccc([O-])c1NC(=O)OC1CCCC1 ZINC001193564401 810909958 /nfs/dbraw/zinc/90/99/58/810909958.db2.gz BYGYIMWYYSVQBO-UHFFFAOYSA-N -1 3 263.293 3.086 20 0 CGADHM Cc1cc2ccc(NC(=O)c3c(C)cc(O)cc3[O-])cc2[nH]1 ZINC001193937450 810981849 /nfs/dbraw/zinc/98/18/49/810981849.db2.gz HXMRWFZSRVQYSI-UHFFFAOYSA-N -1 3 296.326 3.448 20 0 CGADHM Cc1cnc(Nc2cc(F)c([O-])c(Cl)c2)c(N)c1 ZINC001214482763 815416775 /nfs/dbraw/zinc/41/67/75/815416775.db2.gz MJFCNQKMRULUSG-UHFFFAOYSA-N -1 3 267.691 3.214 20 0 CGADHM Cc1cncc(Nc2c(Cl)ccc([O-])c2F)n1 ZINC001214553896 815422220 /nfs/dbraw/zinc/42/22/20/815422220.db2.gz FUHCGKVAVSXZIZ-UHFFFAOYSA-N -1 3 253.664 3.027 20 0 CGADHM O=C(Nc1cccc2cc[nH]c21)c1cnc(C(F)(F)F)[n-]1 ZINC001194783437 811131852 /nfs/dbraw/zinc/13/18/52/811131852.db2.gz NQCUBMJORPKIGH-UHFFFAOYSA-N -1 3 294.236 3.162 20 0 CGADHM Cn1nnc2cc(Nc3c(Cl)ccc([O-])c3F)ccc21 ZINC001214561540 815424202 /nfs/dbraw/zinc/42/42/02/815424202.db2.gz RDJXVTKYWGZGPP-UHFFFAOYSA-N -1 3 292.701 3.210 20 0 CGADHM COc1ccccc1OC(=O)Nc1cc(F)ccc1[O-] ZINC001195262364 811233640 /nfs/dbraw/zinc/23/36/40/811233640.db2.gz TYNAKAHMCRCSFW-UHFFFAOYSA-N -1 3 277.251 3.151 20 0 CGADHM O=C(Nc1ccc(F)c([O-])c1)c1cccc(C2CCC2)n1 ZINC001197872553 811460065 /nfs/dbraw/zinc/46/00/65/811460065.db2.gz FEYXZOPBGVKSGU-UHFFFAOYSA-N -1 3 286.306 3.446 20 0 CGADHM COC(=O)c1ccc([O-])c(Nc2csc(C(C)=O)c2)c1 ZINC001214782651 815451172 /nfs/dbraw/zinc/45/11/72/815451172.db2.gz AVQLPIITGIALCW-UHFFFAOYSA-N -1 3 291.328 3.187 20 0 CGADHM C[C@@H]1CCc2c(C(=O)Nc3cc([O-])cc(Cl)c3)n[nH]c21 ZINC001198454780 811505111 /nfs/dbraw/zinc/50/51/11/811505111.db2.gz WGCWDHUCSLPBRD-SSDOTTSWSA-N -1 3 291.738 3.071 20 0 CGADHM COc1nc(C(C)C)ccc1[N-]c1nc(C)ns1 ZINC001201431614 811843018 /nfs/dbraw/zinc/84/30/18/811843018.db2.gz NGYLXYDVWYVMFL-UHFFFAOYSA-N -1 3 264.354 3.117 20 0 CGADHM CC(C)(O)C=CNc1cc(Cl)c([O-])cc1Cl ZINC001203220028 812269158 /nfs/dbraw/zinc/26/91/58/812269158.db2.gz HDXYKVVGQKLVNV-ONEGZZNKSA-N -1 3 262.136 3.396 20 0 CGADHM Cc1cnc(C)c(Nc2ncc(Br)cc2[O-])c1 ZINC001203655210 812417638 /nfs/dbraw/zinc/41/76/38/812417638.db2.gz XWWNLTUYBXCXAC-UHFFFAOYSA-N -1 3 294.152 3.305 20 0 CGADHM COC(=O)c1sccc1Nc1cc(F)c([O-])cc1F ZINC001215570600 815536381 /nfs/dbraw/zinc/53/63/81/815536381.db2.gz VTADGCYQECGUPW-UHFFFAOYSA-N -1 3 285.271 3.262 20 0 CGADHM CCOc1c(F)c(F)ccc1-c1ccc(=S)[n-]n1 ZINC001205797162 813081512 /nfs/dbraw/zinc/08/15/12/813081512.db2.gz CJWVEDSFGLIFEL-UHFFFAOYSA-N -1 3 268.288 3.109 20 0 CGADHM CCOC(=O)/C=C/c1cccnc1-c1ccc([O-])cc1F ZINC001206022418 813168771 /nfs/dbraw/zinc/16/87/71/813168771.db2.gz ZORRLJGBPWHQCF-VMPITWQZSA-N -1 3 287.290 3.170 20 0 CGADHM COc1cc2c(cc1F)ncnc2-c1ccc([O-])cc1F ZINC001206037697 813175140 /nfs/dbraw/zinc/17/51/40/813175140.db2.gz LKUHUOCIFCHCGO-UHFFFAOYSA-N -1 3 288.253 3.289 20 0 CGADHM [O-]c1ccc(-c2cc(-c3ccco3)ncn2)c(F)c1 ZINC001206044461 813179612 /nfs/dbraw/zinc/17/96/12/813179612.db2.gz MMIPZYRXBKFYRU-UHFFFAOYSA-N -1 3 256.236 3.248 20 0 CGADHM [O-]c1ccc(-c2cnc(OCC3CCC3)cn2)c(F)c1 ZINC001206080490 813193053 /nfs/dbraw/zinc/19/30/53/813193053.db2.gz MOYLIPWDFKBEEM-UHFFFAOYSA-N -1 3 274.295 3.167 20 0 CGADHM CN(Cc1ccc(-c2cc(F)c([O-])cc2F)nc1)C1CC1 ZINC001206768663 813430677 /nfs/dbraw/zinc/43/06/77/813430677.db2.gz ZLVUWUPOMOKQQH-UHFFFAOYSA-N -1 3 290.313 3.327 20 0 CGADHM COc1cc(Nc2cc([O-])cc(F)c2)ccc1C(C)=O ZINC001208126606 813699991 /nfs/dbraw/zinc/69/99/91/813699991.db2.gz XGYRHLOZCLGDLD-UHFFFAOYSA-N -1 3 275.279 3.486 20 0 CGADHM Cc1ncc(Nc2ccc(C(F)(F)F)c(F)c2)c(=O)[n-]1 ZINC001209911130 814198115 /nfs/dbraw/zinc/19/81/15/814198115.db2.gz UVYLHKYOZYAXDM-UHFFFAOYSA-N -1 3 287.216 3.392 20 0 CGADHM Cc1cc(Nc2cc(=O)[n-]c(C3CC3)n2)ccc1N(C)C ZINC001210039933 814259354 /nfs/dbraw/zinc/25/93/54/814259354.db2.gz HRMVEYTVSNXAHW-UHFFFAOYSA-N -1 3 284.363 3.178 20 0 CGADHM Cc1c(F)c(F)ccc1Nc1cc(=O)[n-]c(C2CC2)n1 ZINC001210130209 814303852 /nfs/dbraw/zinc/30/38/52/814303852.db2.gz UJXLIFCFWZOSGS-UHFFFAOYSA-N -1 3 277.274 3.390 20 0 CGADHM O=c1cc(Nc2cccc(F)c2O)[n-]n1-c1ccccc1 ZINC001210195582 814331687 /nfs/dbraw/zinc/33/16/87/814331687.db2.gz NKESRTVJHUUJEO-UHFFFAOYSA-N -1 3 285.278 3.166 20 0 CGADHM [O-]c1c(Cl)cccc1Nc1cccnc1-n1cccn1 ZINC001210215940 814344978 /nfs/dbraw/zinc/34/49/78/814344978.db2.gz AQJHPFQKNHDOLX-UHFFFAOYSA-N -1 3 286.722 3.370 20 0 CGADHM [O-]c1c(Cl)cccc1Nc1ccnn1C1CCOCC1 ZINC001210219388 814347181 /nfs/dbraw/zinc/34/71/81/814347181.db2.gz IAOJUSGVPVCWTP-UHFFFAOYSA-N -1 3 293.754 3.337 20 0 CGADHM CC(C)n1ccc(Nc2ncc(Br)cc2[O-])n1 ZINC001210337033 814409390 /nfs/dbraw/zinc/40/93/90/814409390.db2.gz WJOYNLGCJNKUBA-UHFFFAOYSA-N -1 3 297.156 3.071 20 0 CGADHM [O-]c1cc(Cl)cnc1Nc1cncc(N2CCCC2)c1 ZINC001210605211 814551640 /nfs/dbraw/zinc/55/16/40/814551640.db2.gz WDACITQFZOFZFU-UHFFFAOYSA-N -1 3 290.754 3.179 20 0 CGADHM [O-]c1cc(F)c(Nc2cnc(C(F)(F)F)nc2)cc1F ZINC001210671883 814580486 /nfs/dbraw/zinc/58/04/86/814580486.db2.gz MZPVNPBVRGMDED-UHFFFAOYSA-N -1 3 291.179 3.223 20 0 CGADHM Cc1cc(C[C@H](C)Nc2cccc([O-])c2Cl)on1 ZINC001210844286 814649554 /nfs/dbraw/zinc/64/95/54/814649554.db2.gz CEBUCMZSOLZDQN-QMMMGPOBSA-N -1 3 266.728 3.385 20 0 CGADHM [O-]c1cccc(Nc2ccnnc2Cl)c1Cl ZINC001210852248 814650697 /nfs/dbraw/zinc/65/06/97/814650697.db2.gz YRWVTWZBYWUCRN-UHFFFAOYSA-N -1 3 256.092 3.233 20 0 CGADHM [O-]c1cccc(Nc2cc(F)ncc2F)c1Cl ZINC001210855240 814652328 /nfs/dbraw/zinc/65/23/28/814652328.db2.gz LDNUJAQMPJTQKS-UHFFFAOYSA-N -1 3 256.639 3.462 20 0 CGADHM CCCn1nccc1Nc1cccc(Cl)c1[O-] ZINC001210917071 814674364 /nfs/dbraw/zinc/67/43/64/814674364.db2.gz OTNRTWIUUWUSMP-UHFFFAOYSA-N -1 3 251.717 3.396 20 0 CGADHM Cc1nc(Cl)c([N-]c2nccs2)c(Cl)n1 ZINC001210989265 814700128 /nfs/dbraw/zinc/70/01/28/814700128.db2.gz CKMUZOKQZIRVAM-UHFFFAOYSA-N -1 3 261.137 3.292 20 0 CGADHM Nc1cccc2c(Cl)nn(-c3ccc(F)c([O-])c3)c21 ZINC001211219693 814853889 /nfs/dbraw/zinc/85/38/89/814853889.db2.gz QUOPDGOARLKRTI-UHFFFAOYSA-N -1 3 277.686 3.106 20 0 CGADHM Clc1ccc([N-]c2noc3nccnc23)c(Cl)n1 ZINC001211270612 814867187 /nfs/dbraw/zinc/86/71/87/814867187.db2.gz CZVGAFSSGQMTKE-UHFFFAOYSA-N -1 3 282.090 3.063 20 0 CGADHM CSc1ncc(Cl)cc1Nc1cc(=O)[n-]c(C)n1 ZINC001215914223 815627781 /nfs/dbraw/zinc/62/77/81/815627781.db2.gz CDUDXRFLMZIBAN-UHFFFAOYSA-N -1 3 282.756 3.005 20 0 CGADHM COc1ccc(Nc2cnc(C)[n-]c2=O)cc1C(C)C ZINC001216001833 815657264 /nfs/dbraw/zinc/65/72/64/815657264.db2.gz LZWRMIXWXKOEBB-UHFFFAOYSA-N -1 3 273.336 3.366 20 0 CGADHM CCc1cccc(C)c1-c1ccccc1-c1nnn[n-]1 ZINC001242817075 823143583 /nfs/dbraw/zinc/14/35/83/823143583.db2.gz UAJQDXLJPBFENM-UHFFFAOYSA-N -1 3 264.332 3.405 20 0 CGADHM CCc1cccc(C)c1-c1ccccc1-c1nn[n-]n1 ZINC001242817075 823143585 /nfs/dbraw/zinc/14/35/85/823143585.db2.gz UAJQDXLJPBFENM-UHFFFAOYSA-N -1 3 264.332 3.405 20 0 CGADHM CN(C)c1cc(F)cc([N-]c2nnc(C(C)(C)C)o2)c1 ZINC001216157303 815715143 /nfs/dbraw/zinc/71/51/43/815715143.db2.gz JEDMIICIHIVGOP-UHFFFAOYSA-N -1 3 278.331 3.316 20 0 CGADHM O=c1cc(Nc2cc3c(cccc3F)o2)[nH]c(=S)[n-]1 ZINC001216291843 815769959 /nfs/dbraw/zinc/76/99/59/815769959.db2.gz PGIPEYNMHWLPFZ-UHFFFAOYSA-N -1 3 277.280 3.100 20 0 CGADHM COc1ncc(-c2noc(-c3c(C)cccc3[O-])n2)cc1C ZINC001216540145 815853409 /nfs/dbraw/zinc/85/34/09/815853409.db2.gz BEWUKSFLBRIASJ-UHFFFAOYSA-N -1 3 297.314 3.130 20 0 CGADHM CCc1ccc(-c2noc(-c3c([O-])cc(O)cc3O)n2)cc1 ZINC001216728691 815895289 /nfs/dbraw/zinc/89/52/89/815895289.db2.gz HJRYIRUAXLEHMI-UHFFFAOYSA-N -1 3 298.298 3.083 20 0 CGADHM CN1Cc2c(cccc2-c2ccc(F)c([O-])c2)NC1=O ZINC001243045947 823223150 /nfs/dbraw/zinc/22/31/50/823223150.db2.gz CJHZIVISBBVZTD-UHFFFAOYSA-N -1 3 272.279 3.176 20 0 CGADHM [O-]c1cc(-c2ncccc2C2CCOCC2)ccc1F ZINC001243050730 823227992 /nfs/dbraw/zinc/22/79/92/823227992.db2.gz RYFBPHVOQZBCJS-UHFFFAOYSA-N -1 3 273.307 3.487 20 0 CGADHM [O-]c1cc(-c2ccc(N3CCOCC3)cc2)ccc1F ZINC001243048371 823225732 /nfs/dbraw/zinc/22/57/32/823225732.db2.gz FWNUBGNBMPKARZ-UHFFFAOYSA-N -1 3 273.307 3.035 20 0 CGADHM C[C@@H](COCc1ccccc1)Oc1ccc2c([O-])coc2c1 ZINC001225342837 817018250 /nfs/dbraw/zinc/01/82/50/817018250.db2.gz MINRUUTYYQGCEI-ZDUSSCGKSA-N -1 3 298.338 3.246 20 0 CGADHM CC1(C)CC(Oc2ccc3c([O-])coc3c2)CC(C)(C)O1 ZINC001225340562 817018294 /nfs/dbraw/zinc/01/82/94/817018294.db2.gz QKGFHIUHAYZSDD-UHFFFAOYSA-N -1 3 290.359 3.377 20 0 CGADHM Clc1ccc(-c2ccc(-c3nnn[n-]3)cc2)c(Cl)n1 ZINC001243085416 823241303 /nfs/dbraw/zinc/24/13/03/823241303.db2.gz URPYHABSDDCGGJ-UHFFFAOYSA-N -1 3 292.129 3.236 20 0 CGADHM Clc1ccc(-c2ccc(-c3nn[n-]n3)cc2)c(Cl)n1 ZINC001243085416 823241304 /nfs/dbraw/zinc/24/13/04/823241304.db2.gz URPYHABSDDCGGJ-UHFFFAOYSA-N -1 3 292.129 3.236 20 0 CGADHM Cc1cnc(=S)[n-]c1O[C@@H](C)c1c(F)cccc1F ZINC001225742637 817163676 /nfs/dbraw/zinc/16/36/76/817163676.db2.gz OBVOOOBXUNAKHI-QMMMGPOBSA-N -1 3 282.315 3.492 20 0 CGADHM F[C@@H]1CCCC[C@@H]1Oc1cc(C(F)(F)F)[n-]c(=S)n1 ZINC001225850830 817196628 /nfs/dbraw/zinc/19/66/28/817196628.db2.gz OPHNNICQDUTWBC-RQJHMYQMSA-N -1 3 296.289 3.444 20 0 CGADHM COCc1cc(O[C@H](C)c2ccc(C)cc2)[n-]c(=S)n1 ZINC001225932188 817221988 /nfs/dbraw/zinc/22/19/88/817221988.db2.gz FLTDXLJIJNHBNU-LLVKDONJSA-N -1 3 290.388 3.360 20 0 CGADHM CC(=O)c1ccc([O-])c(O[C@@H](C)c2nccs2)c1 ZINC001225994778 817242448 /nfs/dbraw/zinc/24/24/48/817242448.db2.gz OAYBPXOBEZABLP-VIFPVBQESA-N -1 3 263.318 3.191 20 0 CGADHM Cc1c(=O)[n-]cnc1O[C@H](C)c1csc(Cl)c1 ZINC001226071553 817264768 /nfs/dbraw/zinc/26/47/68/817264768.db2.gz RWJZDERUVQUJHX-SSDOTTSWSA-N -1 3 270.741 3.346 20 0 CGADHM Cc1c(=O)[n-]cnc1O[C@@H](c1ccccc1)C(F)(F)F ZINC001226071072 817264872 /nfs/dbraw/zinc/26/48/72/817264872.db2.gz MABGWPHNLHEYGO-JTQLQIEISA-N -1 3 284.237 3.173 20 0 CGADHM CCOc1ccc([C@@H](C)Oc2nc[n-]c(=O)c2C)cc1 ZINC001226075160 817266503 /nfs/dbraw/zinc/26/65/03/817266503.db2.gz FXVVQNUYWUQWEA-LLVKDONJSA-N -1 3 274.320 3.029 20 0 CGADHM C[C@@H](Cc1ccco1)Oc1[n-]c(=S)ncc1C1CC1 ZINC001226119405 817278178 /nfs/dbraw/zinc/27/81/78/817278178.db2.gz NSUVMBFRIXCBFS-VIFPVBQESA-N -1 3 276.361 3.246 20 0 CGADHM Cc1nnc(=O)[n-]c1O[C@@H](C)c1cccc2ccccc21 ZINC001226460945 817365094 /nfs/dbraw/zinc/36/50/94/817365094.db2.gz ICJRLXXAVQZESR-NSHDSACASA-N -1 3 281.315 3.179 20 0 CGADHM Cc1cc(COc2cc(=O)[n-]c(C)n2)ccc1OC(C)C ZINC001226511675 817381536 /nfs/dbraw/zinc/38/15/36/817381536.db2.gz ICSGSSKXMKFZGP-UHFFFAOYSA-N -1 3 288.347 3.165 20 0 CGADHM CC1(C)[C@@H]2C[C@@H](Oc3c([O-])ccc4ccc(=O)oc43)C[C@@H]21 ZINC001226599742 817409724 /nfs/dbraw/zinc/40/97/24/817409724.db2.gz NDZBADZPHZFSBV-CNDDSTCGSA-N -1 3 286.327 3.312 20 0 CGADHM O=c1ccc2ccc([O-])c(OC3Cc4ccccc4C3)c2o1 ZINC001226596125 817410071 /nfs/dbraw/zinc/41/00/71/817410071.db2.gz NNYGIPVRMWBZKX-UHFFFAOYSA-N -1 3 294.306 3.045 20 0 CGADHM Cc1cc(O[C@H]2CCc3ccccc3C2)[n-]c(=S)n1 ZINC001226798846 817468284 /nfs/dbraw/zinc/46/82/84/817468284.db2.gz MLHJPZLQTGGDAL-ZDUSSCGKSA-N -1 3 272.373 3.010 20 0 CGADHM Cc1cc(O[C@@H]2CCc3c2cc(F)cc3F)[n-]c(=S)n1 ZINC001226798538 817468310 /nfs/dbraw/zinc/46/83/10/817468310.db2.gz JIOBBNKFZZPQMK-GFCCVEGCSA-N -1 3 294.326 3.418 20 0 CGADHM Cc1cc(O[C@H](C)c2ccc(F)cc2)[n-]c(=S)n1 ZINC001226802224 817469588 /nfs/dbraw/zinc/46/95/88/817469588.db2.gz UBAHCSNCPXYXMQ-SECBINFHSA-N -1 3 264.325 3.353 20 0 CGADHM COc1ccccc1[C@@H](C)Oc1cc(C)nc(=S)[n-]1 ZINC001226802199 817469884 /nfs/dbraw/zinc/46/98/84/817469884.db2.gz TURNWBGPIVCOPM-SNVBAGLBSA-N -1 3 276.361 3.222 20 0 CGADHM CCc1cnc(=S)[n-]c1O[C@H]1CCc2ccccc21 ZINC001227056714 817545589 /nfs/dbraw/zinc/54/55/89/817545589.db2.gz SVEITNGKFWXCRZ-ZDUSSCGKSA-N -1 3 272.373 3.394 20 0 CGADHM CCCC(=O)[C@H](CCC)Oc1[n-]c(=S)ncc1CC ZINC001227061620 817546993 /nfs/dbraw/zinc/54/69/93/817546993.db2.gz LBKCYNWIDCHTQU-LBPRGKRZSA-N -1 3 282.409 3.244 20 0 CGADHM CC(C)[C@H]1CC[C@@H](C)C[C@@H]1Oc1ccc(=O)[n-]n1 ZINC001227094002 817555908 /nfs/dbraw/zinc/55/59/08/817555908.db2.gz XWQOSFLOEVUQGR-UTUOFQBUSA-N -1 3 250.342 3.022 20 0 CGADHM O=c1ccc(OC2c3ccccc3Oc3ccccc32)n[n-]1 ZINC001227093531 817556528 /nfs/dbraw/zinc/55/65/28/817556528.db2.gz NQVOKELPIKYFBL-UHFFFAOYSA-N -1 3 292.294 3.456 20 0 CGADHM S=c1nc2nc[n-]c2c(O[C@@H](c2ccccc2)C2CC2)[nH]1 ZINC001227612805 817682156 /nfs/dbraw/zinc/68/21/56/817682156.db2.gz IWDMOEPOSGFTGF-LBPRGKRZSA-N -1 3 298.371 3.172 20 0 CGADHM CCC[C@@H]1CCCC[C@@H]1Oc1nc(C(=O)OC)ccc1[O-] ZINC001227824455 817727667 /nfs/dbraw/zinc/72/76/67/817727667.db2.gz IJUGNDJKHQDTCR-RISCZKNCSA-N -1 3 293.363 3.312 20 0 CGADHM Cc1ccc([C@H](C)Oc2ncc(Cl)cc2[O-])cn1 ZINC001227981419 817771767 /nfs/dbraw/zinc/77/17/67/817771767.db2.gz VQTQKLRECFFTLF-VIFPVBQESA-N -1 3 264.712 3.284 20 0 CGADHM CC/C=C\CCOC(=O)[C@@H](C)Oc1ncc(Cl)cc1[O-] ZINC001227980595 817772034 /nfs/dbraw/zinc/77/20/34/817772034.db2.gz QATTUTLIIKLZLX-UMCURTJPSA-N -1 3 299.754 3.107 20 0 CGADHM Cc1cc(-c2ccc3c(N)ccnc3c2)ccc1C(=O)[O-] ZINC001243215500 823296294 /nfs/dbraw/zinc/29/62/94/823296294.db2.gz RVSKYAYXQARSOG-UHFFFAOYSA-N -1 3 278.311 3.491 20 0 CGADHM Cc1cccc2c1[C@H](Oc1nnc(-c3cccnc3)[n-]1)CC2 ZINC001228695088 817974419 /nfs/dbraw/zinc/97/44/19/817974419.db2.gz JKTDSPPZUBQPSB-CQSZACIVSA-N -1 3 292.342 3.241 20 0 CGADHM Cc1cccc2c1[C@H](Oc1nc(-c3cccnc3)n[n-]1)CC2 ZINC001228695088 817974425 /nfs/dbraw/zinc/97/44/25/817974425.db2.gz JKTDSPPZUBQPSB-CQSZACIVSA-N -1 3 292.342 3.241 20 0 CGADHM Cc1cccc2c1[C@H](Oc1n[n-]c(-c3cccnc3)n1)CC2 ZINC001228695088 817974430 /nfs/dbraw/zinc/97/44/30/817974430.db2.gz JKTDSPPZUBQPSB-CQSZACIVSA-N -1 3 292.342 3.241 20 0 CGADHM C[C@H](Oc1nnc(-c2cccnc2)[n-]1)c1cccc(F)c1 ZINC001228696384 817977078 /nfs/dbraw/zinc/97/70/78/817977078.db2.gz WCVVQHWYPFMQPA-JTQLQIEISA-N -1 3 284.294 3.146 20 0 CGADHM C[C@H](Oc1nc(-c2cccnc2)n[n-]1)c1cccc(F)c1 ZINC001228696384 817977082 /nfs/dbraw/zinc/97/70/82/817977082.db2.gz WCVVQHWYPFMQPA-JTQLQIEISA-N -1 3 284.294 3.146 20 0 CGADHM C[C@H](Oc1n[n-]c(-c2cccnc2)n1)c1cccc(F)c1 ZINC001228696384 817977085 /nfs/dbraw/zinc/97/70/85/817977085.db2.gz WCVVQHWYPFMQPA-JTQLQIEISA-N -1 3 284.294 3.146 20 0 CGADHM CCCC/C=C/[C@H](C)Oc1nnc(-c2cccnc2)[n-]1 ZINC001228696675 817977162 /nfs/dbraw/zinc/97/71/62/817977162.db2.gz AYQHKQQGKBDKGS-WMADIVHISA-N -1 3 272.352 3.380 20 0 CGADHM CCCC/C=C/[C@H](C)Oc1nc(-c2cccnc2)n[n-]1 ZINC001228696675 817977164 /nfs/dbraw/zinc/97/71/64/817977164.db2.gz AYQHKQQGKBDKGS-WMADIVHISA-N -1 3 272.352 3.380 20 0 CGADHM CCCC/C=C/[C@H](C)Oc1n[n-]c(-c2cccnc2)n1 ZINC001228696675 817977167 /nfs/dbraw/zinc/97/71/67/817977167.db2.gz AYQHKQQGKBDKGS-WMADIVHISA-N -1 3 272.352 3.380 20 0 CGADHM Cc1ccc([C@H](C)Oc2n[n-]c(-c3ccncc3)n2)cc1 ZINC001228699794 817978985 /nfs/dbraw/zinc/97/89/85/817978985.db2.gz JSCCCUSOWAJEGW-LBPRGKRZSA-N -1 3 280.331 3.315 20 0 CGADHM CC(C)=CCC[C@H](C)Oc1nnc(-c2cccnc2)[n-]1 ZINC001228699479 817980434 /nfs/dbraw/zinc/98/04/34/817980434.db2.gz XRKBTBIYHCVAPG-LBPRGKRZSA-N -1 3 272.352 3.380 20 0 CGADHM CC(C)=CCC[C@H](C)Oc1nc(-c2cccnc2)n[n-]1 ZINC001228699479 817980439 /nfs/dbraw/zinc/98/04/39/817980439.db2.gz XRKBTBIYHCVAPG-LBPRGKRZSA-N -1 3 272.352 3.380 20 0 CGADHM CC(C)=CCC[C@H](C)Oc1n[n-]c(-c2cccnc2)n1 ZINC001228699479 817980443 /nfs/dbraw/zinc/98/04/43/817980443.db2.gz XRKBTBIYHCVAPG-LBPRGKRZSA-N -1 3 272.352 3.380 20 0 CGADHM Cc1cccc2c1[C@@H](Oc1cccc(-c3nnn[n-]3)c1)CC2 ZINC001231114801 818033032 /nfs/dbraw/zinc/03/30/32/818033032.db2.gz ALDGMBOFWTYEPF-HNNXBMFYSA-N -1 3 292.342 3.241 20 0 CGADHM Cc1cccc2c1[C@@H](Oc1cccc(-c3nn[n-]n3)c1)CC2 ZINC001231114801 818033043 /nfs/dbraw/zinc/03/30/43/818033043.db2.gz ALDGMBOFWTYEPF-HNNXBMFYSA-N -1 3 292.342 3.241 20 0 CGADHM C[C@@H]1CC[C@@H](Oc2cccc(-c3nnn[n-]3)c2)C[C@H]1C ZINC001231118977 818035677 /nfs/dbraw/zinc/03/56/77/818035677.db2.gz XPMSYXPIPDQAQY-JTNHKYCSSA-N -1 3 272.352 3.070 20 0 CGADHM C[C@@H]1CC[C@@H](Oc2cccc(-c3nn[n-]n3)c2)C[C@H]1C ZINC001231118977 818035682 /nfs/dbraw/zinc/03/56/82/818035682.db2.gz XPMSYXPIPDQAQY-JTNHKYCSSA-N -1 3 272.352 3.070 20 0 CGADHM CN(Cc1cc(C(=O)[O-])ccc1F)C[C@@H]1CC1(C)C ZINC001231461551 818101764 /nfs/dbraw/zinc/10/17/64/818101764.db2.gz XJJFVLASRHHOID-LBPRGKRZSA-N -1 3 265.328 3.002 20 0 CGADHM [O-]c1c(F)ccc(CN2CCC[C@@H]3CCC[C@H]32)c1F ZINC001232934350 818475212 /nfs/dbraw/zinc/47/52/12/818475212.db2.gz FCJNZNSCGKLJMG-GXFFZTMASA-N -1 3 267.319 3.435 20 0 CGADHM [O-]c1c(F)ccc(CN2CC3CCC(CC3)C2)c1F ZINC001232936772 818477332 /nfs/dbraw/zinc/47/73/32/818477332.db2.gz GFSWYZFEUIJCKQ-UHFFFAOYSA-N -1 3 267.319 3.292 20 0 CGADHM C[C@@H]1CCN(Cc2cc([O-])c(F)c(F)c2)[C@H](C)C1 ZINC001232973435 818488234 /nfs/dbraw/zinc/48/82/34/818488234.db2.gz YAPWMXBISVNKIU-NXEZZACHSA-N -1 3 255.308 3.291 20 0 CGADHM [O-]c1cc(CN2CCc3ccccc3CC2)cc(F)c1F ZINC001232970539 818488376 /nfs/dbraw/zinc/48/83/76/818488376.db2.gz GBEWEDNMUBXRRB-UHFFFAOYSA-N -1 3 289.325 3.271 20 0 CGADHM [O-]c1cccc(CN2CCO[C@H](c3ccccc3)C2)c1F ZINC001233052270 818513297 /nfs/dbraw/zinc/51/32/97/818513297.db2.gz BLBQEBRMHPWBQW-INIZCTEOSA-N -1 3 287.334 3.105 20 0 CGADHM CCOC(=O)C1(C)CCN(Cc2ccc([S-])cc2)CC1 ZINC001233261680 818559044 /nfs/dbraw/zinc/55/90/44/818559044.db2.gz YUQJEUMNLKDRMM-UHFFFAOYSA-N -1 3 293.432 3.141 20 0 CGADHM O=C1CCN(Cc2c(F)ccc([O-])c2F)[C@H]2CCCC[C@@H]12 ZINC001233393195 818609284 /nfs/dbraw/zinc/60/92/84/818609284.db2.gz HLDVGMXFVYIUTO-MFKMUULPSA-N -1 3 295.329 3.004 20 0 CGADHM C[C@@H]1CCCN(Cc2c(F)ccc([O-])c2F)[C@@H]1C ZINC001233395579 818610256 /nfs/dbraw/zinc/61/02/56/818610256.db2.gz DHEVZYYXMYOROH-NXEZZACHSA-N -1 3 255.308 3.291 20 0 CGADHM [O-]c1ccc(-c2ncccc2CN2CCCC2)c(F)c1F ZINC001243338905 823352627 /nfs/dbraw/zinc/35/26/27/823352627.db2.gz KHQQMABLSHHIEN-UHFFFAOYSA-N -1 3 290.313 3.328 20 0 CGADHM COC[C@@H](C)OC[C@@H](C)Oc1cc(Cl)c([O-])cc1C ZINC001233591369 818652727 /nfs/dbraw/zinc/65/27/27/818652727.db2.gz GAINRVZFJZIPOC-GHMZBOCLSA-N -1 3 288.771 3.173 20 0 CGADHM C[C@@H]1CC[C@@H](C)[C@@H](Oc2ccc3occ([O-])c3c2)C1 ZINC001233676982 818677167 /nfs/dbraw/zinc/67/71/67/818677167.db2.gz BXOLUQDJTBVOFH-UVWXRNBGSA-N -1 3 260.333 3.465 20 0 CGADHM [O-]c1coc2ccc(O[C@H]3CCc4ccccc4C3)cc12 ZINC001233681264 818678771 /nfs/dbraw/zinc/67/87/71/818678771.db2.gz SOIJAKKDBIZHLI-AWEZNQCLSA-N -1 3 280.323 3.198 20 0 CGADHM CC(C)Oc1cc(COc2ccc3occ([O-])c3c2)ccn1 ZINC001233681306 818678977 /nfs/dbraw/zinc/67/89/77/818678977.db2.gz UAEBKSPKDKLFQY-UHFFFAOYSA-N -1 3 299.326 3.023 20 0 CGADHM Cn1c(-c2ccc(-c3nnn[n-]3)c(F)c2)cc2ccccc21 ZINC001243353622 823362948 /nfs/dbraw/zinc/36/29/48/823362948.db2.gz GNEGWKURYPBSFM-UHFFFAOYSA-N -1 3 293.305 3.165 20 0 CGADHM Cn1c(-c2ccc(-c3nn[n-]n3)c(F)c2)cc2ccccc21 ZINC001243353622 823362952 /nfs/dbraw/zinc/36/29/52/823362952.db2.gz GNEGWKURYPBSFM-UHFFFAOYSA-N -1 3 293.305 3.165 20 0 CGADHM CO[C@@H](C)CO[C@@H](C)COc1c([O-])cc(Cl)cc1F ZINC001234445080 818855990 /nfs/dbraw/zinc/85/59/90/818855990.db2.gz WSKDVKLXXHQMMB-IUCAKERBSA-N -1 3 292.734 3.004 20 0 CGADHM COC1=CC[C@@H](Oc2nc[n-]c(=O)c2-c2ccccc2)CC1 ZINC001234693457 818918470 /nfs/dbraw/zinc/91/84/70/818918470.db2.gz XRGGPUPHTBULER-CQSZACIVSA-N -1 3 298.342 3.311 20 0 CGADHM COc1cc([O-])c(C)c(O[C@@H]2C[C@@H]3CC[C@H]2C3)c1C(C)=O ZINC001234793277 818923839 /nfs/dbraw/zinc/92/38/39/818923839.db2.gz OKAOUOCEWAHINY-MBNYWOFBSA-N -1 3 290.359 3.479 20 0 CGADHM CCC[C@H](C)Oc1c(C)c([O-])cc(OC)c1C(C)=O ZINC001234790661 818923961 /nfs/dbraw/zinc/92/39/61/818923961.db2.gz ISUBICMNXGQWMS-VIFPVBQESA-N -1 3 266.337 3.479 20 0 CGADHM COc1cc([O-])c(C)c(O[C@H](C)C2CCC2)c1C(C)=O ZINC001234792103 818924366 /nfs/dbraw/zinc/92/43/66/818924366.db2.gz WKUCZULBBCDOCA-LLVKDONJSA-N -1 3 278.348 3.479 20 0 CGADHM CC(=O)[C@H](Oc1nc2ccsc2[n-]1)c1ccccc1 ZINC001234848265 818932075 /nfs/dbraw/zinc/93/20/75/818932075.db2.gz OOZWHNYNOXUVJP-LBPRGKRZSA-N -1 3 272.329 3.334 20 0 CGADHM COC(C)(C)C[C@H](C)Oc1nc2ccsc2[n-]1 ZINC001234846993 818932105 /nfs/dbraw/zinc/93/21/05/818932105.db2.gz GJFDRSJZSOXSPS-QMMMGPOBSA-N -1 3 254.355 3.207 20 0 CGADHM COC(C)(C)C[C@H](C)Oc1nc2sccc2[n-]1 ZINC001234846993 818932108 /nfs/dbraw/zinc/93/21/08/818932108.db2.gz GJFDRSJZSOXSPS-QMMMGPOBSA-N -1 3 254.355 3.207 20 0 CGADHM COC(=O)C[C@@H]1CCC[C@H](Oc2nc3ccsc3[n-]2)C1 ZINC001234846988 818932431 /nfs/dbraw/zinc/93/24/31/818932431.db2.gz GCWQGUWNGIOZEQ-ZJUUUORDSA-N -1 3 294.376 3.125 20 0 CGADHM COC(=O)C[C@@H]1CCC[C@H](Oc2nc3sccc3[n-]2)C1 ZINC001234846988 818932437 /nfs/dbraw/zinc/93/24/37/818932437.db2.gz GCWQGUWNGIOZEQ-ZJUUUORDSA-N -1 3 294.376 3.125 20 0 CGADHM CC(C)Oc1ccnc(-c2cc([O-])cc(Cl)c2)n1 ZINC001235899074 819208886 /nfs/dbraw/zinc/20/88/86/819208886.db2.gz CIBHHFWKCFZBSC-UHFFFAOYSA-N -1 3 264.712 3.290 20 0 CGADHM CC(C)Oc1cc(F)c(F)cc1-c1ccc(=S)[n-]n1 ZINC001243411740 823396035 /nfs/dbraw/zinc/39/60/35/823396035.db2.gz YYBFEQDIPPPQMF-UHFFFAOYSA-N -1 3 282.315 3.498 20 0 CGADHM FC(F)(F)[C@@H]1CC=C(c2cncc(-c3nnn[n-]3)c2)CC1 ZINC001236255660 819406089 /nfs/dbraw/zinc/40/60/89/819406089.db2.gz ORRZXCBRAGQPQT-LLVKDONJSA-N -1 3 295.268 3.008 20 0 CGADHM FC(F)(F)[C@@H]1CC=C(c2cncc(-c3nn[n-]n3)c2)CC1 ZINC001236255660 819406094 /nfs/dbraw/zinc/40/60/94/819406094.db2.gz ORRZXCBRAGQPQT-LLVKDONJSA-N -1 3 295.268 3.008 20 0 CGADHM CN(Cc1ccc(Br)c([O-])c1)CC(F)(F)F ZINC001236691322 819573837 /nfs/dbraw/zinc/57/38/37/819573837.db2.gz GLMUOHUOFAMQGK-UHFFFAOYSA-N -1 3 298.102 3.149 20 0 CGADHM [O-]c1cc(CN2CCc3sccc3C2)ccc1F ZINC001236699151 819575649 /nfs/dbraw/zinc/57/56/49/819575649.db2.gz MTMLKZCGSPKGEL-UHFFFAOYSA-N -1 3 263.337 3.151 20 0 CGADHM [O-]c1cc(CN2CCOC3(CCCCC3)C2)ccc1F ZINC001236709768 819579287 /nfs/dbraw/zinc/57/92/87/819579287.db2.gz HRRNLXUUCJEUOZ-UHFFFAOYSA-N -1 3 279.355 3.066 20 0 CGADHM O=c1[n-]c(Cl)c(CN2CCCCC(F)(F)C2)s1 ZINC001237163261 819686435 /nfs/dbraw/zinc/68/64/35/819686435.db2.gz ZWSGOVJKCFOOMG-UHFFFAOYSA-N -1 3 282.743 3.123 20 0 CGADHM COc1cccc(CN(C)Cc2occc2[S-])c1OC ZINC001237183909 819689025 /nfs/dbraw/zinc/68/90/25/819689025.db2.gz MMMKTIRSSMASDQ-UHFFFAOYSA-N -1 3 293.388 3.218 20 0 CGADHM [O-]c1cccc(-c2ccc(C(F)(F)F)nn2)c1F ZINC001243542099 823435705 /nfs/dbraw/zinc/43/57/05/823435705.db2.gz GXVUSPKEDZAMFU-UHFFFAOYSA-N -1 3 258.174 3.007 20 0 CGADHM CC1(C)[C@@H]2CN(Cc3cc(F)c([O-])c(Cl)c3)C[C@@H]21 ZINC001237996964 819907186 /nfs/dbraw/zinc/90/71/86/819907186.db2.gz LKORZWPQDYOULT-AOOOYVTPSA-N -1 3 269.747 3.273 20 0 CGADHM Cc1nc(-c2ccccn2)cc(-c2cccc([O-])c2F)n1 ZINC001243544489 823437420 /nfs/dbraw/zinc/43/74/20/823437420.db2.gz QRIWWCOOZLCXAD-UHFFFAOYSA-N -1 3 281.290 3.359 20 0 CGADHM O=C1CCc2ccc(-c3cccc([O-])c3F)cc2N1 ZINC001243544510 823437501 /nfs/dbraw/zinc/43/75/01/823437501.db2.gz HUAVKJBAUWZXAA-UHFFFAOYSA-N -1 3 257.264 3.083 20 0 CGADHM CC1(C)Cc2ccc(-c3cccc([O-])c3F)cc2C(=O)N1 ZINC001243548978 823440828 /nfs/dbraw/zinc/44/08/28/823440828.db2.gz MTNGFAAVNRUSRW-UHFFFAOYSA-N -1 3 285.318 3.263 20 0 CGADHM COc1ccnc2cc(-c3cccc([O-])c3F)cnc21 ZINC001243545526 823438237 /nfs/dbraw/zinc/43/82/37/823438237.db2.gz DIEYRBNACYJJIC-UHFFFAOYSA-N -1 3 270.263 3.150 20 0 CGADHM [O-]c1cccc(-c2cncc(OC(F)(F)F)c2)c1F ZINC001243545914 823438252 /nfs/dbraw/zinc/43/82/52/823438252.db2.gz RAMXMRPGGNJESZ-UHFFFAOYSA-N -1 3 273.185 3.492 20 0 CGADHM COc1nc(OC)c(-c2cccc([O-])c2F)cc1SC ZINC001243549374 823440974 /nfs/dbraw/zinc/44/09/74/823440974.db2.gz ZJZMLGXNZFFFPW-UHFFFAOYSA-N -1 3 295.335 3.332 20 0 CGADHM COC(=O)c1c(C)cc(F)cc1-c1cccc([O-])c1F ZINC001243547884 823439615 /nfs/dbraw/zinc/43/96/15/823439615.db2.gz VNLVCUAOEFKTAD-UHFFFAOYSA-N -1 3 278.254 3.432 20 0 CGADHM COc1cc(F)c(-c2cccc([O-])c2F)c(OC)c1 ZINC001243547777 823439715 /nfs/dbraw/zinc/43/97/15/823439715.db2.gz VOWAYMLDJQODRM-UHFFFAOYSA-N -1 3 266.243 3.355 20 0 CGADHM COc1ccc(-c2nnn[n-]2)cc1-c1ccc(C2CC2)cc1 ZINC001238831321 820129241 /nfs/dbraw/zinc/12/92/41/820129241.db2.gz JMCIYGRNJXCXIU-UHFFFAOYSA-N -1 3 292.342 3.420 20 0 CGADHM COc1ccc(-c2nn[n-]n2)cc1-c1ccc(C2CC2)cc1 ZINC001238831321 820129246 /nfs/dbraw/zinc/12/92/46/820129246.db2.gz JMCIYGRNJXCXIU-UHFFFAOYSA-N -1 3 292.342 3.420 20 0 CGADHM Cc1cc(-c2nnn[n-]2)ccc1-c1ccc(C2CC2)nc1 ZINC001238854427 820135629 /nfs/dbraw/zinc/13/56/29/820135629.db2.gz BBMJVQYBDQVXIV-UHFFFAOYSA-N -1 3 277.331 3.115 20 0 CGADHM Cc1cc(-c2nn[n-]n2)ccc1-c1ccc(C2CC2)nc1 ZINC001238854427 820135635 /nfs/dbraw/zinc/13/56/35/820135635.db2.gz BBMJVQYBDQVXIV-UHFFFAOYSA-N -1 3 277.331 3.115 20 0 CGADHM CNc1ccc(-c2ccc3c(c2)[N-]C(=S)C3)c(F)n1 ZINC001239436731 820304772 /nfs/dbraw/zinc/30/47/72/820304772.db2.gz ULODKFGYWXMSRL-UHFFFAOYSA-N -1 3 273.336 3.225 20 0 CGADHM Cc1cc(C)cc(-c2ccc(-c3nnn[n-]3)cc2)c1 ZINC001239525357 820374785 /nfs/dbraw/zinc/37/47/85/820374785.db2.gz RQWAKGRIMFHUPU-UHFFFAOYSA-N -1 3 250.305 3.151 20 0 CGADHM Cc1cc(C)cc(-c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001239525357 820374794 /nfs/dbraw/zinc/37/47/94/820374794.db2.gz RQWAKGRIMFHUPU-UHFFFAOYSA-N -1 3 250.305 3.151 20 0 CGADHM Cn1cc(-c2ccc(-c3nnn[n-]3)cc2)c2ccccc21 ZINC001239535580 820388255 /nfs/dbraw/zinc/38/82/55/820388255.db2.gz NBLQFNWLSJHZSE-UHFFFAOYSA-N -1 3 275.315 3.025 20 0 CGADHM Cn1cc(-c2ccc(-c3nn[n-]n3)cc2)c2ccccc21 ZINC001239535580 820388259 /nfs/dbraw/zinc/38/82/59/820388259.db2.gz NBLQFNWLSJHZSE-UHFFFAOYSA-N -1 3 275.315 3.025 20 0 CGADHM Cc1cc(C)c(-c2ccc(Cc3nnn[n-]3)cc2)c(C)c1 ZINC001239551325 820403745 /nfs/dbraw/zinc/40/37/45/820403745.db2.gz XISSQVQUSVFKNE-UHFFFAOYSA-N -1 3 278.359 3.383 20 0 CGADHM Cc1cc(C)c(-c2ccc(Cc3nn[n-]n3)cc2)c(C)c1 ZINC001239551325 820403750 /nfs/dbraw/zinc/40/37/50/820403750.db2.gz XISSQVQUSVFKNE-UHFFFAOYSA-N -1 3 278.359 3.383 20 0 CGADHM Cc1cc(-c2nnn[n-]2)ccc1-c1ccc(F)c(F)c1 ZINC001239586077 820434828 /nfs/dbraw/zinc/43/48/28/820434828.db2.gz PARXTWHFTVEKBL-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM Cc1cc(-c2nn[n-]n2)ccc1-c1ccc(F)c(F)c1 ZINC001239586077 820434832 /nfs/dbraw/zinc/43/48/32/820434832.db2.gz PARXTWHFTVEKBL-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM Cc1ccc(-c2ccc3[nH]ccc3c2)cc1-c1nnn[n-]1 ZINC001239697203 820529059 /nfs/dbraw/zinc/52/90/59/820529059.db2.gz NAWOCRXPEOYQHF-UHFFFAOYSA-N -1 3 275.315 3.323 20 0 CGADHM Cc1ccc(-c2ccc3[nH]ccc3c2)cc1-c1nn[n-]n1 ZINC001239697203 820529067 /nfs/dbraw/zinc/52/90/67/820529067.db2.gz NAWOCRXPEOYQHF-UHFFFAOYSA-N -1 3 275.315 3.323 20 0 CGADHM Fc1cc(-c2nnn[n-]2)cc(-c2cccc3cnccc32)c1 ZINC001240011428 820778932 /nfs/dbraw/zinc/77/89/32/820778932.db2.gz WLXMRLNTIPFCFV-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Fc1cc(-c2nn[n-]n2)cc(-c2cccc3cnccc32)c1 ZINC001240011428 820778934 /nfs/dbraw/zinc/77/89/34/820778934.db2.gz WLXMRLNTIPFCFV-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Oc1ccc(F)cc1-c1ccc2c(c1)[N-]C(=S)C2 ZINC001240697453 821253433 /nfs/dbraw/zinc/25/34/33/821253433.db2.gz JKXVVAWGJFLXBK-UHFFFAOYSA-N -1 3 259.305 3.494 20 0 CGADHM O=c1c(-c2cc(F)ccc2[O-])cccn1-c1ccc(F)cc1 ZINC001240698246 821255009 /nfs/dbraw/zinc/25/50/09/821255009.db2.gz IMTJSDMHKDPBGO-UHFFFAOYSA-N -1 3 299.276 3.488 20 0 CGADHM Cc1ccc(-c2cc(F)cc(-c3nnn[n-]3)c2)cc1C ZINC001240702762 821259167 /nfs/dbraw/zinc/25/91/67/821259167.db2.gz RJDMNOGNIIWBFJ-UHFFFAOYSA-N -1 3 268.295 3.290 20 0 CGADHM Cc1ccc(-c2cc(F)cc(-c3nn[n-]n3)c2)cc1C ZINC001240702762 821259176 /nfs/dbraw/zinc/25/91/76/821259176.db2.gz RJDMNOGNIIWBFJ-UHFFFAOYSA-N -1 3 268.295 3.290 20 0 CGADHM COc1cc(-c2cc(N3CCCC3)ccn2)ccc1C(=O)[O-] ZINC001240743086 821294427 /nfs/dbraw/zinc/29/44/27/821294427.db2.gz PZVVPBSMYHJUOL-UHFFFAOYSA-N -1 3 298.342 3.056 20 0 CGADHM [O-]c1ccc(-c2cccc(OC(F)F)n2)cc1F ZINC001240782127 821321413 /nfs/dbraw/zinc/32/14/13/821321413.db2.gz QIESMSNIDVEXEW-UHFFFAOYSA-N -1 3 255.195 3.195 20 0 CGADHM Cc1cc2ccncc2nc1-c1ccc([O-])c(F)c1 ZINC001240786463 821327569 /nfs/dbraw/zinc/32/75/69/821327569.db2.gz UIOLKXNDZOCKMT-UHFFFAOYSA-N -1 3 254.264 3.450 20 0 CGADHM O=c1cc(-c2ccc([O-])c(F)c2)ccn1-c1ccccc1F ZINC001240787838 821328244 /nfs/dbraw/zinc/32/82/44/821328244.db2.gz SNOYWIQKHXCAJK-UHFFFAOYSA-N -1 3 299.276 3.488 20 0 CGADHM COc1c(F)ccc(-c2ccc([O-])c(F)c2)c1F ZINC001240788112 821330513 /nfs/dbraw/zinc/33/05/13/821330513.db2.gz ZOHBBAHUQDMSRS-UHFFFAOYSA-N -1 3 254.207 3.485 20 0 CGADHM [O-]c1ccc(-c2cnc(OCC3CCC3)nc2)cc1F ZINC001240790976 821333626 /nfs/dbraw/zinc/33/36/26/821333626.db2.gz UDDGZCDUTVOXMJ-UHFFFAOYSA-N -1 3 274.295 3.167 20 0 CGADHM O=C(c1cccnc1-c1ccccc1[O-])N1CCCCC1 ZINC001241001673 821480789 /nfs/dbraw/zinc/48/07/89/821480789.db2.gz DUJJPLCCRLDMTE-UHFFFAOYSA-N -1 3 282.343 3.080 20 0 CGADHM COc1ccc(C(F)(F)F)c(-c2ccccc2[O-])n1 ZINC001241002799 821481714 /nfs/dbraw/zinc/48/17/14/821481714.db2.gz ACOYKMWPUGZQFV-UHFFFAOYSA-N -1 3 269.222 3.482 20 0 CGADHM C[C@@H]1CCCN(c2cc(-c3ccccc3[O-])ncn2)C1 ZINC001241008563 821485312 /nfs/dbraw/zinc/48/53/12/821485312.db2.gz IJHUMZYQGOZOGU-GFCCVEGCSA-N -1 3 269.348 3.086 20 0 CGADHM CCOC(=O)c1cc2ccc(-c3ccccc3[O-])nc2[nH]1 ZINC001241008192 821485640 /nfs/dbraw/zinc/48/56/40/821485640.db2.gz NNMURWHEUBJDON-UHFFFAOYSA-N -1 3 282.299 3.112 20 0 CGADHM Cc1ccc(-c2ncccc2C(=O)OC(C)C)c([O-])c1 ZINC001241035643 821511892 /nfs/dbraw/zinc/51/18/92/821511892.db2.gz DORDZMANAFDAKC-UHFFFAOYSA-N -1 3 271.316 3.328 20 0 CGADHM CSc1cc(-c2cc([O-])cc(F)c2)nc(C)n1 ZINC001241256302 821676211 /nfs/dbraw/zinc/67/62/11/821676211.db2.gz PWOHJJKFAWJSQX-UHFFFAOYSA-N -1 3 250.298 3.019 20 0 CGADHM Cc1ccc2ncnc(-c3cc([O-])cc(F)c3)c2c1 ZINC001241257649 821677386 /nfs/dbraw/zinc/67/73/86/821677386.db2.gz NZUQYENOSQYVKD-UHFFFAOYSA-N -1 3 254.264 3.450 20 0 CGADHM [O-]c1cc(F)cc(-c2cncc(N3CCCCCC3)n2)c1 ZINC001241262217 821681131 /nfs/dbraw/zinc/68/11/31/821681131.db2.gz XWMOBIXHTDBQSW-UHFFFAOYSA-N -1 3 287.338 3.369 20 0 CGADHM CC(C)Sc1ccc(-c2cc([O-])cc(F)c2)nn1 ZINC001241261465 821681188 /nfs/dbraw/zinc/68/11/88/821681188.db2.gz OWQJKDPUBDMSRS-UHFFFAOYSA-N -1 3 264.325 3.489 20 0 CGADHM CCOC(=O)Cc1ccc(-c2cc([O-])cc(F)c2)cc1 ZINC001241266919 821686474 /nfs/dbraw/zinc/68/64/74/821686474.db2.gz ONRRAGKXAHOIHT-UHFFFAOYSA-N -1 3 274.291 3.304 20 0 CGADHM COc1c(F)cc(-c2cc([O-])cc(F)c2)cc1F ZINC001241272465 821691515 /nfs/dbraw/zinc/69/15/15/821691515.db2.gz QOBDYTFCDCSMFZ-UHFFFAOYSA-N -1 3 254.207 3.485 20 0 CGADHM [O-]c1cc(F)cc(-c2ccnc(OC3CCOCC3)c2)c1 ZINC001241280487 821698629 /nfs/dbraw/zinc/69/86/29/821698629.db2.gz NQPRWYDEDABPTK-UHFFFAOYSA-N -1 3 289.306 3.151 20 0 CGADHM CC1(C)CNC(=O)c2cccc(-c3cc([O-])cc(F)c3)c21 ZINC001241280336 821698817 /nfs/dbraw/zinc/69/88/17/821698817.db2.gz LEACXSKGZNPUKB-UHFFFAOYSA-N -1 3 285.318 3.219 20 0 CGADHM O=C1CCc2cc(-c3c(F)ccc([O-])c3F)ccc2O1 ZINC001241290978 821708102 /nfs/dbraw/zinc/70/81/02/821708102.db2.gz GBKGTIVDXZNIKV-UHFFFAOYSA-N -1 3 276.238 3.189 20 0 CGADHM [O-]c1ccc(F)c(-c2ccc3ncncc3c2)c1F ZINC001241292671 821709734 /nfs/dbraw/zinc/70/97/34/821709734.db2.gz HBNKCNXTPHGCES-UHFFFAOYSA-N -1 3 258.227 3.281 20 0 CGADHM Cc1cc(-c2c(F)ccc([O-])c2F)c2nccn2c1 ZINC001241292542 821709898 /nfs/dbraw/zinc/70/98/98/821709898.db2.gz FOUKZHGLTZBDEN-UHFFFAOYSA-N -1 3 260.243 3.294 20 0 CGADHM CC(=O)Nc1ccc(-c2c(F)ccc([O-])c2F)c(F)c1 ZINC001241293362 821710904 /nfs/dbraw/zinc/71/09/04/821710904.db2.gz VICCPASTLRJMAY-UHFFFAOYSA-N -1 3 281.233 3.435 20 0 CGADHM [O-]c1ccc(F)c(-c2cnc3cccnc3c2)c1F ZINC001241292917 821711473 /nfs/dbraw/zinc/71/14/73/821711473.db2.gz NJAZIJFYPRXHMR-UHFFFAOYSA-N -1 3 258.227 3.281 20 0 CGADHM Cc1cc2c(cccc2-c2ccc(-c3nnn[n-]3)cc2)[nH]1 ZINC001241444557 821839080 /nfs/dbraw/zinc/83/90/80/821839080.db2.gz FKNWVNSBIRFCGY-UHFFFAOYSA-N -1 3 275.315 3.323 20 0 CGADHM Cc1cc2c(cccc2-c2ccc(-c3nn[n-]n3)cc2)[nH]1 ZINC001241444557 821839086 /nfs/dbraw/zinc/83/90/86/821839086.db2.gz FKNWVNSBIRFCGY-UHFFFAOYSA-N -1 3 275.315 3.323 20 0 CGADHM COc1cc(C(F)(F)F)ccc1-c1ccc(=S)[n-]n1 ZINC001241797824 822148349 /nfs/dbraw/zinc/14/83/49/822148349.db2.gz HPAZQRKKRRSYPW-UHFFFAOYSA-N -1 3 286.278 3.460 20 0 CGADHM C=Cc1ccccc1-c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001242009809 822273399 /nfs/dbraw/zinc/27/33/99/822273399.db2.gz JTOJZVSPFNGWAN-UHFFFAOYSA-N -1 3 266.279 3.316 20 0 CGADHM C=Cc1ccccc1-c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001242009809 822273405 /nfs/dbraw/zinc/27/34/05/822273405.db2.gz JTOJZVSPFNGWAN-UHFFFAOYSA-N -1 3 266.279 3.316 20 0 CGADHM COC(=O)c1ccc(-c2ccc(F)cc2[O-])cc1F ZINC001242217427 822914170 /nfs/dbraw/zinc/91/41/70/822914170.db2.gz OKXAIUUSNBYDJB-UHFFFAOYSA-N -1 3 264.227 3.124 20 0 CGADHM [O-]c1cc(F)ccc1-c1cc(N2CCCC2)ccn1 ZINC001242215526 822913446 /nfs/dbraw/zinc/91/34/46/822913446.db2.gz BPJYRLWLDREKGV-UHFFFAOYSA-N -1 3 258.296 3.194 20 0 CGADHM [O-]c1cc(F)ccc1-c1ccc(N2CCOCC2)cc1F ZINC001242218398 822915186 /nfs/dbraw/zinc/91/51/86/822915186.db2.gz CJNIWIDYQPSXAJ-UHFFFAOYSA-N -1 3 291.297 3.174 20 0 CGADHM O=C1c2ccc(-c3ccc(F)cc3[O-])cc2CN1C1CC1 ZINC001242218860 822915487 /nfs/dbraw/zinc/91/54/87/822915487.db2.gz RTXOPPGPJWOCSQ-UHFFFAOYSA-N -1 3 283.302 3.317 20 0 CGADHM CC1(C)C(=O)NCc2cccc(-c3ccc(F)cc3[O-])c21 ZINC001242219277 822915716 /nfs/dbraw/zinc/91/57/16/822915716.db2.gz AMMBVFVYMGBCRI-UHFFFAOYSA-N -1 3 285.318 3.106 20 0 CGADHM CC1(C)Cc2cc(-c3ccc(F)cc3[O-])ccc2C(=O)N1 ZINC001242221060 822916870 /nfs/dbraw/zinc/91/68/70/822916870.db2.gz ILQDAPXXLNUEJI-UHFFFAOYSA-N -1 3 285.318 3.263 20 0 CGADHM FC1(F)CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001242234311 822920545 /nfs/dbraw/zinc/92/05/45/822920545.db2.gz OYPMVAJXSYYTPJ-UHFFFAOYSA-N -1 3 262.263 3.069 20 0 CGADHM FC1(F)CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001242234311 822920546 /nfs/dbraw/zinc/92/05/46/822920546.db2.gz OYPMVAJXSYYTPJ-UHFFFAOYSA-N -1 3 262.263 3.069 20 0 CGADHM CN(C)c1ncc2cc(-c3cccc(F)c3[O-])ccc2n1 ZINC001242351042 822960980 /nfs/dbraw/zinc/96/09/80/822960980.db2.gz CJAJXZIPVQHIQZ-UHFFFAOYSA-N -1 3 283.306 3.208 20 0 CGADHM COC(=O)c1nc2ccc(-c3cccc(F)c3[O-])cc2o1 ZINC001242351261 822961417 /nfs/dbraw/zinc/96/14/17/822961417.db2.gz VMCQKCQHHLBMMU-UHFFFAOYSA-N -1 3 287.246 3.126 20 0 CGADHM COC(=O)[C@@H](C)c1ccc(-c2cccc(F)c2[O-])cc1 ZINC001242352043 822961696 /nfs/dbraw/zinc/96/16/96/822961696.db2.gz JDTNJNXIWOOILW-JTQLQIEISA-N -1 3 274.291 3.475 20 0 CGADHM Cn1c(=O)ccc2cc(-c3cccc(F)c3[O-])ccc21 ZINC001242351519 822962113 /nfs/dbraw/zinc/96/21/13/822962113.db2.gz YCHRPPQFVDDWPZ-UHFFFAOYSA-N -1 3 269.275 3.050 20 0 CGADHM CC(=O)Nc1cc(-c2cccc(F)c2[O-])ccc1C ZINC001242351962 822962140 /nfs/dbraw/zinc/96/21/40/822962140.db2.gz FBCVTPBWKFWECT-UHFFFAOYSA-N -1 3 259.280 3.465 20 0 CGADHM CC1(C)NC(=O)Cc2cc(-c3cccc(F)c3[O-])ccc21 ZINC001242352822 822962745 /nfs/dbraw/zinc/96/27/45/822962745.db2.gz QQYZHBRYDYRNSP-UHFFFAOYSA-N -1 3 285.318 3.106 20 0 CGADHM COC(=O)c1c[nH]c2c1cccc2-c1cccc(F)c1[O-] ZINC001242352732 822962776 /nfs/dbraw/zinc/96/27/76/822962776.db2.gz OQFVLCNEPMCUQE-UHFFFAOYSA-N -1 3 285.274 3.466 20 0 CGADHM FC(F)Oc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC001242440110 822995867 /nfs/dbraw/zinc/99/58/67/822995867.db2.gz ZCBPMFZOTJVMBS-UHFFFAOYSA-N -1 3 288.257 3.135 20 0 CGADHM FC(F)Oc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC001242440110 822995869 /nfs/dbraw/zinc/99/58/69/822995869.db2.gz ZCBPMFZOTJVMBS-UHFFFAOYSA-N -1 3 288.257 3.135 20 0 CGADHM C[C@H]([N-]C(=O)C(C)(F)F)c1ccc(Cl)c(F)c1 ZINC001343931543 936519247 /nfs/dbraw/zinc/51/92/47/936519247.db2.gz JWHXIDHZPQPJAT-LURJTMIESA-N -1 3 265.662 3.312 20 0 CGADHM CC(C)(C)O[N-]C(=O)[C@H]1C2CCC(CC2)[C@@H]1C(F)(F)F ZINC001345641162 936819036 /nfs/dbraw/zinc/81/90/36/936819036.db2.gz IWNCIKYZVSZNLD-TVUZUIDESA-N -1 3 293.329 3.447 20 0 CGADHM C[C@@](NCc1ccc(Cl)s1)(C(=O)[O-])c1ccccc1 ZINC001353898909 937080943 /nfs/dbraw/zinc/08/09/43/937080943.db2.gz ASWGSACFQAQQIO-AWEZNQCLSA-N -1 3 295.791 3.491 20 0 CGADHM Cc1cnc([N-]c2cnc(Br)s2)nc1C ZINC001216265087 926778236 /nfs/dbraw/zinc/77/82/36/926778236.db2.gz LZTYXHHBJIUVIJ-UHFFFAOYSA-N -1 3 285.170 3.056 20 0 CGADHM O=c1nc(Cl)cc(SCc2cccc(F)c2F)[n-]1 ZINC001364222014 937232770 /nfs/dbraw/zinc/23/27/70/937232770.db2.gz ACBRFUAQMIEXPM-UHFFFAOYSA-N -1 3 288.706 3.406 20 0 CGADHM O=C(CCc1cccnc1Cl)Nc1cccc([O-])c1F ZINC001545835546 937247317 /nfs/dbraw/zinc/24/73/17/937247317.db2.gz CMCOUWHZKJTFHP-UHFFFAOYSA-N -1 3 294.713 3.151 20 0 CGADHM CCc1nc(C(=O)[N-]c2noc(C(C)(C)C)c2C)co1 ZINC001438605234 937307710 /nfs/dbraw/zinc/30/77/10/937307710.db2.gz IKYJNSXNQALZKT-UHFFFAOYSA-N -1 3 277.324 3.083 20 0 CGADHM CSc1ccc([O-])c(C(=O)N2Cc3ccccc3C2)c1 ZINC001443360703 937347371 /nfs/dbraw/zinc/34/73/71/937347371.db2.gz SYOSUKYBTMFXBK-UHFFFAOYSA-N -1 3 285.368 3.270 20 0 CGADHM Cc1cc(F)c(C(=O)Nc2cc(F)ccc2[O-])c(F)c1 ZINC001447284519 937367891 /nfs/dbraw/zinc/36/78/91/937367891.db2.gz ATKHYSCKTSFHKV-UHFFFAOYSA-N -1 3 281.233 3.370 20 0 CGADHM O=C(Nc1ccc(CO)cc1)c1cc([O-])c2ccccc2c1 ZINC001452440209 937395074 /nfs/dbraw/zinc/39/50/74/937395074.db2.gz OVUMZVOAOICZSF-UHFFFAOYSA-N -1 3 293.322 3.290 20 0 CGADHM CC1(NC(=O)c2cc([O-])c3ccccc3c2)CC=CC1 ZINC001452658705 937397068 /nfs/dbraw/zinc/39/70/68/937397068.db2.gz SFSQUZMWKJTPFU-UHFFFAOYSA-N -1 3 267.328 3.384 20 0 CGADHM CC(C)Nc1ccccc1NC(=O)c1cccc2n[n-]nc21 ZINC001453561987 937403528 /nfs/dbraw/zinc/40/35/28/937403528.db2.gz FSZSKVZVTAVUFQ-UHFFFAOYSA-N -1 3 295.346 3.031 20 0 CGADHM CCc1ccc(C(=O)N[C@@H]2CCCc3cccnc32)c([O-])c1 ZINC001456641255 937433273 /nfs/dbraw/zinc/43/32/73/937433273.db2.gz VIOOAQCHYNPKGD-OAHLLOKOSA-N -1 3 296.370 3.157 20 0 CGADHM CC(=O)c1cc(C(C)C)c([O-])cc1O[C@@H]1CCOC[C@@H]1F ZINC001228960262 932060097 /nfs/dbraw/zinc/06/00/97/932060097.db2.gz ZSFCBFTTXQXAOR-DZGCQCFKSA-N -1 3 296.338 3.224 20 0 CGADHM CC[C@@H](COC)Oc1nc(=S)[n-]c2scc(C)c21 ZINC001229353586 932138643 /nfs/dbraw/zinc/13/86/43/932138643.db2.gz QRHTXBAWAYAWCD-QMMMGPOBSA-N -1 3 284.406 3.092 20 0 CGADHM Cc1ccc2c(c1)[C@H](Oc1ccccc1-c1nnn[n-]1)CC2 ZINC001229956144 932510650 /nfs/dbraw/zinc/51/06/50/932510650.db2.gz CLNBTHNVZYJBKO-MRXNPFEDSA-N -1 3 292.342 3.241 20 0 CGADHM Cc1ccc2c(c1)[C@H](Oc1ccccc1-c1nn[n-]n1)CC2 ZINC001229956144 932510656 /nfs/dbraw/zinc/51/06/56/932510656.db2.gz CLNBTHNVZYJBKO-MRXNPFEDSA-N -1 3 292.342 3.241 20 0 CGADHM C[C@@H]1CC[C@H](Oc2nc(=O)[n-]cc2-c2ccccc2)C1 ZINC001230971812 932650616 /nfs/dbraw/zinc/65/06/16/932650616.db2.gz BUJMSGUCTLDXLT-YPMHNXCESA-N -1 3 270.332 3.417 20 0 CGADHM C[C@@H]1CCCCCN1Cc1ncc(Br)cc1[O-] ZINC001462113824 937618597 /nfs/dbraw/zinc/61/85/97/937618597.db2.gz CDCFVUXDCALBNK-SNVBAGLBSA-N -1 3 299.212 3.314 20 0 CGADHM CC[C@H]1CC[C@H](Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001231076784 932672855 /nfs/dbraw/zinc/67/28/55/932672855.db2.gz MICVIUJSGYXTDM-AULYBMBSSA-N -1 3 272.352 3.214 20 0 CGADHM CC(C)CC[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001231074232 932672952 /nfs/dbraw/zinc/67/29/52/932672952.db2.gz RQJQWHQJCAYAHO-LLVKDONJSA-N -1 3 260.341 3.070 20 0 CGADHM C[C@@H](Oc1[n-]c(=O)nc2cccc(F)c21)C1CCC1 ZINC001231076393 932673038 /nfs/dbraw/zinc/67/30/38/932673038.db2.gz MVKQNWVQKGWOQO-MRVPVSSYSA-N -1 3 262.284 3.042 20 0 CGADHM CCc1ccc(C(=O)NC(C)(C)/C=C/Cl)c([O-])c1 ZINC001303796175 932834833 /nfs/dbraw/zinc/83/48/33/932834833.db2.gz XYDXGTDXPKXDNE-BQYQJAHWSA-N -1 3 267.756 3.216 20 0 CGADHM CC[C@@H]1c2ccccc2CN1C(=O)c1c([O-])cccc1O ZINC001306903119 932893608 /nfs/dbraw/zinc/89/36/08/932893608.db2.gz OETDMJVSPCLXNX-CYBMUJFWSA-N -1 3 283.327 3.205 20 0 CGADHM [O-]c1ccc(CNc2nnc(C(F)(F)F)s2)cc1F ZINC001306976775 932903114 /nfs/dbraw/zinc/90/31/14/932903114.db2.gz SZGWRKDCABYVMW-UHFFFAOYSA-N -1 3 293.245 3.014 20 0 CGADHM Cc1sc(Cl)nc1C(=O)[N-]c1nocc1C1CC1 ZINC001462557295 937650538 /nfs/dbraw/zinc/65/05/38/937650538.db2.gz SQZRJHYXGPJUHD-UHFFFAOYSA-N -1 3 283.740 3.223 20 0 CGADHM C[C@H](c1ccccc1F)N1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001308049540 933041068 /nfs/dbraw/zinc/04/10/68/933041068.db2.gz AKOLYFRTFIIPSV-SNVBAGLBSA-N -1 3 299.349 3.276 20 0 CGADHM CCC[C@@H](CC)[N-]S(=O)(=O)c1ccc(C)c(F)c1F ZINC001309128843 933227973 /nfs/dbraw/zinc/22/79/73/933227973.db2.gz KKPJRWVTYAYUOG-SNVBAGLBSA-N -1 3 291.363 3.130 20 0 CGADHM CCS[C@@H]1CCCC[C@H]1NC(=O)c1ccc(C)cc1[O-] ZINC001465729125 937702998 /nfs/dbraw/zinc/70/29/98/937702998.db2.gz DLFZSBQAFUHVOP-UKRRQHHQSA-N -1 3 293.432 3.495 20 0 CGADHM CC(=O)c1ccc(C(=O)NC[C@H](C)c2ccccc2)cc1[O-] ZINC001466734406 937711759 /nfs/dbraw/zinc/71/17/59/937711759.db2.gz UQKWJYYPGZVHIZ-LBPRGKRZSA-N -1 3 297.354 3.128 20 0 CGADHM CCc1cccc(N(C)C(=O)Cc2ccc([O-])c(F)c2)c1 ZINC001468796157 937731561 /nfs/dbraw/zinc/73/15/61/937731561.db2.gz OWXMYRXWFBPTHL-UHFFFAOYSA-N -1 3 287.334 3.299 20 0 CGADHM CC1=CC[C@](C)(C(=O)[N-]OCCOc2ccccc2)CC1 ZINC001472341533 937775881 /nfs/dbraw/zinc/77/58/81/937775881.db2.gz GDQDYZABRNHMAT-KRWDZBQOSA-N -1 3 289.375 3.250 20 0 CGADHM CC(C)[C@H](O)COC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC001327488770 935063305 /nfs/dbraw/zinc/06/33/05/935063305.db2.gz ALHZNPQFCHQOOZ-SECBINFHSA-N -1 3 287.768 3.057 20 0 CGADHM Cc1ccc(OCCCC(=O)[N-]OC(C)C)c(Cl)c1 ZINC001330659898 935308675 /nfs/dbraw/zinc/30/86/75/935308675.db2.gz QXBJXDNMOYKZGQ-UHFFFAOYSA-N -1 3 285.771 3.264 20 0 CGADHM COc1ccc(C)cc1CN[C@](C)(C(=O)[O-])c1ccccc1 ZINC001334016270 936079453 /nfs/dbraw/zinc/07/94/53/936079453.db2.gz MCRLZMUVCMKAHD-SFHVURJKSA-N -1 3 299.370 3.093 20 0 CGADHM Cc1cccc2nc([N-]c3cnn4c3NC[C@H](C)C4)oc21 ZINC001334287150 936094664 /nfs/dbraw/zinc/09/46/64/936094664.db2.gz YGNUBXRMHVRPFR-VIFPVBQESA-N -1 3 283.335 3.138 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2cccnc2C2CC2)c1 ZINC001334819916 936116750 /nfs/dbraw/zinc/11/67/50/936116750.db2.gz NDHFUADSGIQLGI-UHFFFAOYSA-N -1 3 268.316 3.225 20 0 CGADHM C[C@H]1CCC(F)(F)CN1C(=O)c1cc([O-])ccc1Cl ZINC001336773159 936216533 /nfs/dbraw/zinc/21/65/33/936216533.db2.gz CAMOSSUSJKJWRU-QMMMGPOBSA-N -1 3 289.709 3.305 20 0 CGADHM CC1CC(OC(=O)c2cccc3[n-]c(C(F)F)nc32)C1 ZINC001515242117 938005137 /nfs/dbraw/zinc/00/51/37/938005137.db2.gz DHUHHAUPVKUOKG-UHFFFAOYSA-N -1 3 280.274 3.456 20 0 CGADHM C[C@H](OC(=O)c1cccc2[n-]c(C(F)F)nc21)C(F)F ZINC001525358188 938048691 /nfs/dbraw/zinc/04/86/91/938048691.db2.gz AOIXIYHGBFJORH-YFKPBYRVSA-N -1 3 290.216 3.311 20 0 CGADHM CC(=O)c1ccc(OC(=O)c2cccc(F)c2[O-])c(F)c1 ZINC001528244666 938066515 /nfs/dbraw/zinc/06/65/15/938066515.db2.gz HPGYHGFFMLESFW-UHFFFAOYSA-N -1 3 292.237 3.092 20 0 CGADHM O=C([N-]c1ccnc(F)c1F)c1cc2cccc(F)c2o1 ZINC001532779833 938087831 /nfs/dbraw/zinc/08/78/31/938087831.db2.gz QIQLYGYVDKSNQD-UHFFFAOYSA-N -1 3 292.216 3.497 20 0 CGADHM O=C([N-]c1ccnc(F)c1F)c1nsc2ccccc21 ZINC001532788860 938087899 /nfs/dbraw/zinc/08/78/99/938087899.db2.gz SHXUBFOELCAWFZ-UHFFFAOYSA-N -1 3 291.282 3.222 20 0 CGADHM Cc1noc(C)c1NC(=O)c1cc2sccc2c([O-])c1 ZINC001542364948 938135878 /nfs/dbraw/zinc/13/58/78/938135878.db2.gz IAQOEEGDBQXGOM-UHFFFAOYSA-N -1 3 288.328 3.464 20 0 CGADHM COc1ccc(C(=O)N2CCCCC3(CCC3)C2)c([O-])c1 ZINC001551646404 938183747 /nfs/dbraw/zinc/18/37/47/938183747.db2.gz QNSINBNFRLUJAS-UHFFFAOYSA-N -1 3 289.375 3.197 20 0 CGADHM CCO[C@@H]1CCC[C@H]1NC(=O)c1ccc(C(C)C)cc1[O-] ZINC001556999733 938207136 /nfs/dbraw/zinc/20/71/36/938207136.db2.gz AXPJBAFOSJNWGQ-GDBMZVCRSA-N -1 3 291.391 3.203 20 0 CGADHM CC1(C)CCC(C)(NC(=O)c2ccc(O)cc2[O-])CC1 ZINC001557946543 938212645 /nfs/dbraw/zinc/21/26/45/938212645.db2.gz XUEZLYIZVLHEIY-UHFFFAOYSA-N -1 3 277.364 3.187 20 0 CGADHM C[C@H]1CC[C@@](C)(C[N-]C(=O)C(F)(F)F)C1(C)C ZINC001561732384 938296333 /nfs/dbraw/zinc/29/63/33/938296333.db2.gz RDFMWALLCXAMMH-KWQFWETISA-N -1 3 251.292 3.127 20 0 CGADHM O=C([O-])CCCCCNCc1cncc(Cl)c1Cl ZINC001595037561 951409298 /nfs/dbraw/zinc/40/92/98/951409298.db2.gz HRAHEEZYFPZBDT-UHFFFAOYSA-N -1 3 291.178 3.123 20 0 CGADHM CNc1ccc(C)cc1CNCc1ccc(C(=O)[O-])cc1 ZINC001593803611 954870490 /nfs/dbraw/zinc/87/04/90/954870490.db2.gz MGYISMAWXCTJIC-UHFFFAOYSA-N -1 3 284.359 3.025 20 0 CGADHM CC(C)C[C@H](N[C@H](C)c1c(F)cccc1F)C(=O)[O-] ZINC000043431974 957430611 /nfs/dbraw/zinc/43/06/11/957430611.db2.gz KBIBXOGUGJVSIV-SKDRFNHKSA-N -1 3 271.307 3.115 20 0 CGADHM CCC(CC)(NCc1csc(-c2ccco2)n1)C(=O)[O-] ZINC000094243031 958282297 /nfs/dbraw/zinc/28/22/97/958282297.db2.gz JSVUZQUBAISVJN-UHFFFAOYSA-N -1 3 294.376 3.136 20 0 CGADHM CCc1cccc(C(=O)Nc2ccc(F)c(F)c2)c1[O-] ZINC001587032825 960492591 /nfs/dbraw/zinc/49/25/91/960492591.db2.gz ABGPGZSNWUHIHA-UHFFFAOYSA-N -1 3 277.270 3.485 20 0 CGADHM Cc1cccc([O-])c1C(=O)N[C@@H]1C[C@H](OC(C)C)C1(C)C ZINC001567322389 961279962 /nfs/dbraw/zinc/27/99/62/961279962.db2.gz CHGOSMJVAYMISB-KGLIPLIRSA-N -1 3 291.391 3.023 20 0 CGADHM CNc1cc(Cl)ccc1C(=O)Nc1nc(C)ccc1[O-] ZINC001568296076 961541022 /nfs/dbraw/zinc/54/10/22/961541022.db2.gz NKEXNHMYCMFNPI-UHFFFAOYSA-N -1 3 291.738 3.043 20 0 CGADHM O=C([O-])c1ccc(CN2CC(Cc3cccs3)C2)s1 ZINC001574800517 962317376 /nfs/dbraw/zinc/31/73/76/962317376.db2.gz OCJHCPJFKWFJGI-UHFFFAOYSA-N -1 3 293.413 3.182 20 0 CGADHM CCC[C@H](C)CCCOc1ccc(-c2nn[n-]n2)cc1 ZINC001577296354 962524839 /nfs/dbraw/zinc/52/48/39/962524839.db2.gz JGWPCMNFCIGLBJ-LBPRGKRZSA-N -1 3 274.368 3.462 20 0 CGADHM Cc1c(NC[C@@H]2CC[C@@H]3C[C@@H]3C2)cccc1-c1nnn[n-]1 ZINC001580560004 962737302 /nfs/dbraw/zinc/73/73/02/962737302.db2.gz QXEQMWPYQREHOF-UPJWGTAASA-N -1 3 283.379 3.023 20 0 CGADHM Cc1c(NC[C@@H]2CC[C@@H]3C[C@@H]3C2)cccc1-c1nn[n-]n1 ZINC001580560004 962737314 /nfs/dbraw/zinc/73/73/14/962737314.db2.gz QXEQMWPYQREHOF-UPJWGTAASA-N -1 3 283.379 3.023 20 0 CGADHM Cc1ccc(CCNc2cccc(-c3nnn[n-]3)c2)cc1C ZINC001581193408 962756961 /nfs/dbraw/zinc/75/69/61/962756961.db2.gz DYAZOURFQBNVDK-UHFFFAOYSA-N -1 3 293.374 3.138 20 0 CGADHM Cc1ccc(CCNc2cccc(-c3nn[n-]n3)c2)cc1C ZINC001581193408 962756972 /nfs/dbraw/zinc/75/69/72/962756972.db2.gz DYAZOURFQBNVDK-UHFFFAOYSA-N -1 3 293.374 3.138 20 0 CGADHM CC1(c2ccccc2)CN(Cc2cccc(C(=O)[O-])c2)C1 ZINC001589253136 963978481 /nfs/dbraw/zinc/97/84/81/963978481.db2.gz ILYXBKFGGBCORM-UHFFFAOYSA-N -1 3 281.355 3.158 20 0 CGADHM CC(C)=CCC[C@@H](C)Nc1cc(-c2nnn[n-]2)cc(C)n1 ZINC001589372678 963984068 /nfs/dbraw/zinc/98/40/68/963984068.db2.gz UVRWMMIUNZUSRF-LLVKDONJSA-N -1 3 286.383 3.117 20 0 CGADHM CC(C)=CCC[C@@H](C)Nc1cc(-c2nn[n-]n2)cc(C)n1 ZINC001589372678 963984075 /nfs/dbraw/zinc/98/40/75/963984075.db2.gz UVRWMMIUNZUSRF-LLVKDONJSA-N -1 3 286.383 3.117 20 0 CGADHM CC(C)CCCCNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001589594221 964002612 /nfs/dbraw/zinc/00/26/12/964002612.db2.gz YVANYHANKXHIAZ-UHFFFAOYSA-N -1 3 294.790 3.153 20 0 CGADHM CC(C)CCCCNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001589594221 964002623 /nfs/dbraw/zinc/00/26/23/964002623.db2.gz YVANYHANKXHIAZ-UHFFFAOYSA-N -1 3 294.790 3.153 20 0 CGADHM CC(C)CCSCCOc1ccc(-c2nn[n-]n2)cc1 ZINC001589609662 964007378 /nfs/dbraw/zinc/00/73/78/964007378.db2.gz IWVXSMWKBLEOJS-UHFFFAOYSA-N -1 3 292.408 3.025 20 0 CGADHM CCC(CC)(C[NH2+][C@@H](C)c1cccc([O-])c1F)C(=O)[O-] ZINC001595078092 979361210 /nfs/dbraw/zinc/36/12/10/979361210.db2.gz YSAYTGZNWVRQGE-JTQLQIEISA-N -1 3 283.343 3.073 20 0 CGADHM CCCc1nc(CNCC(CC)(CC)C(=O)[O-])cs1 ZINC001596089038 983410148 /nfs/dbraw/zinc/41/01/48/983410148.db2.gz AXWRDKZZIUQQLS-UHFFFAOYSA-N -1 3 284.425 3.076 20 0 CGADHM Cc1[nH]c(CN2CC3(CCCC3)[C@H]2C(C)C)cc1C(=O)[O-] ZINC001599962210 985808174 /nfs/dbraw/zinc/80/81/74/985808174.db2.gz MQLMETUWTNZVFW-OAHLLOKOSA-N -1 3 290.407 3.422 20 0 CGADHM Cc1[nH]c(CN(C)[C@@H]2CCc3ccccc32)cc1C(=O)[O-] ZINC001599963122 985835517 /nfs/dbraw/zinc/83/55/17/985835517.db2.gz XNARSVDFPUZVPA-MRXNPFEDSA-N -1 3 284.359 3.141 20 0 CGADHM CCOc1cccc(Cl)c1CNC1(CC(=O)[O-])CCC1 ZINC001597155629 986952588 /nfs/dbraw/zinc/95/25/88/986952588.db2.gz QIJFJKFWQRVCSQ-UHFFFAOYSA-N -1 3 297.782 3.226 20 0 CGADHM CCc1[nH]c(CN[C@H](C)c2ccc(C)cc2)cc1C(=O)[O-] ZINC001597391718 987622358 /nfs/dbraw/zinc/62/23/58/987622358.db2.gz MPNLBESWZWPRRK-GFCCVEGCSA-N -1 3 286.375 3.435 20 0 CGADHM CCc1nc([C@H](C)NC[C@H]2CCCC[C@H]2C(=O)[O-])cs1 ZINC001597656628 988711326 /nfs/dbraw/zinc/71/13/26/988711326.db2.gz VLQVJXYVGLOIPN-QJPTWQEYSA-N -1 3 296.436 3.247 20 0 CGADHM CCc1nc([C@H](C)NC[C@H]2CCCC[C@@H]2C(=O)[O-])cs1 ZINC001597656631 988712018 /nfs/dbraw/zinc/71/20/18/988712018.db2.gz VLQVJXYVGLOIPN-TUAOUCFPSA-N -1 3 296.436 3.247 20 0 CGADHM CC(C)[C@@H](NCc1c[nH]c(C(=O)[O-])c1)c1ccccc1F ZINC001591030160 991331372 /nfs/dbraw/zinc/33/13/72/991331372.db2.gz FFDQZGCIKVREBM-OAHLLOKOSA-N -1 3 290.338 3.339 20 0 CGADHM CC1(C)CN(Cc2csc(C(=O)[O-])c2)[C@@H]1C1CC1 ZINC001593945033 996984646 /nfs/dbraw/zinc/98/46/46/996984646.db2.gz MXULHQHTRMESSM-GFCCVEGCSA-N -1 3 265.378 3.067 20 0 CGADHM CC1CCC(CNC(C)(C)c2nocc2C(=O)[O-])CC1 ZINC001594309188 999193906 /nfs/dbraw/zinc/19/39/06/999193906.db2.gz UEDODAUUVOBGSO-UHFFFAOYSA-N -1 3 280.368 3.024 20 0 CGADHM C[C@@H](c1ncc(C(=O)[O-])s1)N(C)[C@@H]1CCC[C@@H](C)C1 ZINC001594348574 999321694 /nfs/dbraw/zinc/32/16/94/999321694.db2.gz PVIOAMYQIJEPHS-OUAUKWLOSA-N -1 3 282.409 3.413 20 0 CGADHM CCC[C@H](C)NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621256571 349483754 /nfs/dbraw/zinc/48/37/54/349483754.db2.gz LLUGGLFRWCNMIR-QMMMGPOBSA-N -1 3 275.270 3.329 20 0 CGADHM CSc1nnc(NC(=O)C[C@H]2CCCCC2(C)C)[n-]1 ZINC000337457492 214093120 /nfs/dbraw/zinc/09/31/20/214093120.db2.gz PSSIMEBZJCGQBG-SECBINFHSA-N -1 3 282.413 3.072 20 0 CGADHM CSc1n[n-]c(NC(=O)C[C@H]2CCCCC2(C)C)n1 ZINC000337457492 214093123 /nfs/dbraw/zinc/09/31/23/214093123.db2.gz PSSIMEBZJCGQBG-SECBINFHSA-N -1 3 282.413 3.072 20 0 CGADHM CSc1nc(NC(=O)C[C@H]2CCCCC2(C)C)n[n-]1 ZINC000337457492 214093125 /nfs/dbraw/zinc/09/31/25/214093125.db2.gz PSSIMEBZJCGQBG-SECBINFHSA-N -1 3 282.413 3.072 20 0 CGADHM CCOc1nc2ccc(-c3nc(C(C)C)no3)cc2[n-]1 ZINC000651163837 398209351 /nfs/dbraw/zinc/20/93/51/398209351.db2.gz BKAGWERPVKEURJ-UHFFFAOYSA-N -1 3 272.308 3.135 20 0 CGADHM C[C@H]1CCN(C(=O)Cc2ccc([O-])cc2Cl)C[C@@H](C)C1 ZINC000337655493 214199560 /nfs/dbraw/zinc/19/95/60/214199560.db2.gz MYBDUKZZEBLIAE-RYUDHWBXSA-N -1 3 295.810 3.483 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])[C@@H]1C[C@@H]1C1CCCC1 ZINC000651586430 398256221 /nfs/dbraw/zinc/25/62/21/398256221.db2.gz ABOQUDCWGZSAFL-VXGBXAGGSA-N -1 3 263.312 3.296 20 0 CGADHM Cc1cccc([O-])c1NC(=O)[C@H]1C[C@@H]1C1CCCC1 ZINC000651638079 398261006 /nfs/dbraw/zinc/26/10/06/398261006.db2.gz LNFHFKKYSRXBCV-OLZOCXBDSA-N -1 3 259.349 3.465 20 0 CGADHM C[C@@H]1CC[C@@H](C)N1C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621910809 349606613 /nfs/dbraw/zinc/60/66/13/349606613.db2.gz KHUWZMASICMONI-RKDXNWHRSA-N -1 3 287.281 3.424 20 0 CGADHM C[C@@H]1C[C@@H](C)N1C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621984722 349617216 /nfs/dbraw/zinc/61/72/16/349617216.db2.gz GSMVZVJEAQVIBY-HTQZYQBOSA-N -1 3 273.254 3.034 20 0 CGADHM CC[C@H](C)Sc1ccc(NC(=O)c2nc[n-]n2)c(C)c1 ZINC000269609845 190520036 /nfs/dbraw/zinc/52/00/36/190520036.db2.gz RHCVFXVOKATEBM-JTQLQIEISA-N -1 3 290.392 3.256 20 0 CGADHM O=S(=O)([N-]C1(C2CCC2)CC1)c1ccc(Cl)s1 ZINC000651870259 398299189 /nfs/dbraw/zinc/29/91/89/398299189.db2.gz YUADQZLMIVMJDC-UHFFFAOYSA-N -1 3 291.825 3.013 20 0 CGADHM CN(C(=O)c1cc(F)c[n-]c1=O)[C@H]1CCC[C@H]1C(C)(C)C ZINC000622110020 349631271 /nfs/dbraw/zinc/63/12/71/349631271.db2.gz KSXPKEURSLQOHL-OLZOCXBDSA-N -1 3 294.370 3.213 20 0 CGADHM CN(Cc1cccc(Cl)c1)C(=O)c1c([O-])cccc1O ZINC000125560506 187191092 /nfs/dbraw/zinc/19/10/92/187191092.db2.gz KFQLRSNKKSMLJU-UHFFFAOYSA-N -1 3 291.734 3.023 20 0 CGADHM CC[C@@H](C)[C@H]1CCCCN1C(=O)c1cccc([O-])c1 ZINC000357298099 529425798 /nfs/dbraw/zinc/42/57/98/529425798.db2.gz ZFPSXOHDMLPEAH-IUODEOHRSA-N -1 3 261.365 3.433 20 0 CGADHM CC(C)c1csc([N-]C(=O)c2nnc(C(C)C)s2)n1 ZINC000622324106 349672081 /nfs/dbraw/zinc/67/20/81/349672081.db2.gz CMMAADCHSBKADQ-UHFFFAOYSA-N -1 3 296.421 3.494 20 0 CGADHM COC1(CNC(=O)c2cc(C)ccc2[O-])CCC(C)CC1 ZINC000622571096 349686812 /nfs/dbraw/zinc/68/68/12/349686812.db2.gz FGUNEQNWVPFUNY-UHFFFAOYSA-N -1 3 291.391 3.026 20 0 CGADHM Cc1cc(C(=O)Nc2ccccc2OCCF)ccc1[O-] ZINC000622629461 349691438 /nfs/dbraw/zinc/69/14/38/349691438.db2.gz OXHPQFFUFNTJLO-UHFFFAOYSA-N -1 3 289.306 3.301 20 0 CGADHM O=C(NC1(C2CCC2)CC1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622741774 349698621 /nfs/dbraw/zinc/69/86/21/349698621.db2.gz PQMGVFZLPSABLT-UHFFFAOYSA-N -1 3 299.292 3.474 20 0 CGADHM CCc1ccc(C(=O)NC[C@H](OC)c2ccccc2)c([O-])c1 ZINC000436798603 529604988 /nfs/dbraw/zinc/60/49/88/529604988.db2.gz UMUDHEAEZDDQOH-KRWDZBQOSA-N -1 3 299.370 3.072 20 0 CGADHM CCc1ccc(C(=O)Nc2cccc(OC)c2)c([O-])c1 ZINC000436803299 529610710 /nfs/dbraw/zinc/61/07/10/529610710.db2.gz NWWXQVFBPLHSBT-UHFFFAOYSA-N -1 3 271.316 3.216 20 0 CGADHM CCc1ccc([O-])c(C(=O)N(CCOC)C(CC)CC)c1 ZINC000436558267 529690469 /nfs/dbraw/zinc/69/04/69/529690469.db2.gz PLVRLXQSZYUUQL-UHFFFAOYSA-N -1 3 293.407 3.232 20 0 CGADHM CCN(Cc1ccc(OC)cc1)C(=O)c1c(C)cccc1[O-] ZINC000623880245 349904300 /nfs/dbraw/zinc/90/43/00/349904300.db2.gz CRWGIIYRXVNTSC-UHFFFAOYSA-N -1 3 299.370 3.372 20 0 CGADHM CCCCc1nnc([N-]C(=O)c2cc(F)ccc2F)s1 ZINC000023363250 344897816 /nfs/dbraw/zinc/89/78/16/344897816.db2.gz JRMAUORQZMPOOT-UHFFFAOYSA-N -1 3 297.330 3.411 20 0 CGADHM COc1ccc(F)cc1C(=O)[N-]c1nnc(C(C)C)s1 ZINC000026601386 344907568 /nfs/dbraw/zinc/90/75/68/344907568.db2.gz JRKSIRZUAITSPH-UHFFFAOYSA-N -1 3 295.339 3.062 20 0 CGADHM Cc1ccc(C(=O)Nc2ccc(-n3ccnc3)cc2)c([O-])c1 ZINC000031276262 344926149 /nfs/dbraw/zinc/92/61/49/344926149.db2.gz XMCZTDCSTUVHIM-UHFFFAOYSA-N -1 3 293.326 3.139 20 0 CGADHM O=C([O-])CN(Cc1ccccc1)Cc1ccc(Cl)cc1 ZINC000032144943 344929746 /nfs/dbraw/zinc/92/97/46/344929746.db2.gz CSCHFZXKAYLAGM-UHFFFAOYSA-N -1 3 289.762 3.427 20 0 CGADHM C[C@@]1(C(=O)[O-])CCCN(Cc2ccc(Cl)cc2)C1 ZINC000062876763 345241079 /nfs/dbraw/zinc/24/10/79/345241079.db2.gz WYGSNNDTYGNVEH-CQSZACIVSA-N -1 3 267.756 3.027 20 0 CGADHM CCS[C@@H](C(=O)Nc1ccc(C)cc1[O-])C(C)C ZINC000067105882 345314767 /nfs/dbraw/zinc/31/47/67/345314767.db2.gz UCIJAWHEIIZNQM-CYBMUJFWSA-N -1 3 267.394 3.417 20 0 CGADHM CCOc1ccccc1CNC(=O)c1cc(C)ccc1[O-] ZINC000065111198 345267957 /nfs/dbraw/zinc/26/79/57/345267957.db2.gz ZCIVMLWJHAHHNN-UHFFFAOYSA-N -1 3 285.343 3.029 20 0 CGADHM Cc1cccc(OC[C@H](C)NC(=O)c2ccc(C)cc2[O-])c1 ZINC000065116518 345268063 /nfs/dbraw/zinc/26/80/63/345268063.db2.gz SEHHARYLZUCJBQ-AWEZNQCLSA-N -1 3 299.370 3.206 20 0 CGADHM CC(C)(C)c1nsc([N-]C(=O)c2cc(Cl)ccn2)n1 ZINC000068073079 345342664 /nfs/dbraw/zinc/34/26/64/345342664.db2.gz CXRLJIVHFQRNHF-UHFFFAOYSA-N -1 3 296.783 3.136 20 0 CGADHM O=C([O-])CCN(Cc1ccccc1)Cc1ccc(F)cc1 ZINC000071736508 345404870 /nfs/dbraw/zinc/40/48/70/345404870.db2.gz MMSUAYXKROOPRE-UHFFFAOYSA-N -1 3 287.334 3.303 20 0 CGADHM CC(C)c1ccc(C(=O)N2CCC(C)(C)C2)c([O-])c1 ZINC000075235699 345497986 /nfs/dbraw/zinc/49/79/86/345497986.db2.gz GVAIFXFLQIGKHH-UHFFFAOYSA-N -1 3 261.365 3.388 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CCS[C@H](C(C)C)C2)c1 ZINC000075349134 345501995 /nfs/dbraw/zinc/50/19/95/345501995.db2.gz GLLPEDRFJIXOKJ-HNNXBMFYSA-N -1 3 293.432 3.168 20 0 CGADHM Cc1oc(CN2CCCC(C)(C)CC2)cc1C(=O)[O-] ZINC000087658228 345756059 /nfs/dbraw/zinc/75/60/59/345756059.db2.gz RRXMCAMONSKRSE-UHFFFAOYSA-N -1 3 265.353 3.298 20 0 CGADHM CCc1onc(C)c1[N-]C(=O)c1cnc(C2CC2)s1 ZINC000089398093 345768869 /nfs/dbraw/zinc/76/88/69/345768869.db2.gz LVXANDJOLDJAKY-UHFFFAOYSA-N -1 3 277.349 3.132 20 0 CGADHM Cc1ccc(CC(=O)Nc2ccc(Cl)cc2[O-])cc1O ZINC000089458780 345769633 /nfs/dbraw/zinc/76/96/33/345769633.db2.gz KZWQKXWKUBECMV-UHFFFAOYSA-N -1 3 291.734 3.241 20 0 CGADHM Cc1cnc([C@@H](NC(=O)c2ccccc2[O-])C2CC2)s1 ZINC000173596902 232284797 /nfs/dbraw/zinc/28/47/97/232284797.db2.gz CFBMPOWOBKOGIU-ZDUSSCGKSA-N -1 3 288.372 3.038 20 0 CGADHM Cc1cc(CN(CCC(C)C)C2CC2)oc1C(=O)[O-] ZINC000109276617 345940785 /nfs/dbraw/zinc/94/07/85/345940785.db2.gz YQWNKDKXYJQBFH-UHFFFAOYSA-N -1 3 265.353 3.297 20 0 CGADHM O=C(Cc1c[nH]c2ccc(F)cc12)Nc1ccccc1[O-] ZINC000115708294 345973719 /nfs/dbraw/zinc/97/37/19/345973719.db2.gz MWEOVAZVMYXGMY-UHFFFAOYSA-N -1 3 284.290 3.194 20 0 CGADHM O=C([O-])C[C@@H]1CCCN1Cc1cccc(C(F)F)c1 ZINC000156407499 346158230 /nfs/dbraw/zinc/15/82/30/346158230.db2.gz RYGNISCHMFQPTL-LBPRGKRZSA-N -1 3 269.291 3.063 20 0 CGADHM CCc1ccc([C@H](NCc2ccccc2OC)C(=O)[O-])cc1 ZINC000211623877 346286053 /nfs/dbraw/zinc/28/60/53/346286053.db2.gz HLGNOAUMASDXID-KRWDZBQOSA-N -1 3 299.370 3.173 20 0 CGADHM O=C([O-])[C@@H](NCc1ccc(Cl)cc1)c1cccc(F)c1 ZINC000211535751 346286366 /nfs/dbraw/zinc/28/63/66/346286366.db2.gz TULFWOURAZRDGF-AWEZNQCLSA-N -1 3 293.725 3.395 20 0 CGADHM CCc1ccc([C@@H](NCc2ccccc2OC)C(=O)[O-])cc1 ZINC000211623966 346286373 /nfs/dbraw/zinc/28/63/73/346286373.db2.gz HLGNOAUMASDXID-QGZVFWFLSA-N -1 3 299.370 3.173 20 0 CGADHM CN(CCc1cccs1)Cc1ccc(C(=O)[O-])c(F)c1 ZINC000234273966 346331462 /nfs/dbraw/zinc/33/14/62/346331462.db2.gz HJGJSZRSVYQMFL-UHFFFAOYSA-N -1 3 293.363 3.260 20 0 CGADHM C[C@H](c1ccc(C(=O)[O-])o1)N1CC[C@@H](C)[C@H](C)C1 ZINC000253067688 346393169 /nfs/dbraw/zinc/39/31/69/346393169.db2.gz KEUSYELHIGBYFH-GMTAPVOTSA-N -1 3 251.326 3.017 20 0 CGADHM O=C(Nc1ccc([O-])cc1Cl)C(C1CC1)C1CC1 ZINC000306077076 346451195 /nfs/dbraw/zinc/45/11/95/346451195.db2.gz GSJFMZPGJGOKBU-UHFFFAOYSA-N -1 3 265.740 3.420 20 0 CGADHM O=C(Nc1ccccc1[O-])c1cncnc1-c1ccccc1 ZINC000351733505 219190252 /nfs/dbraw/zinc/19/02/52/219190252.db2.gz BDURUCMWAFAWSQ-UHFFFAOYSA-N -1 3 291.310 3.102 20 0 CGADHM Cc1ccc(CN2Cc3ccccc3C[C@H]2C(=O)[O-])cc1F ZINC000315812491 346484065 /nfs/dbraw/zinc/48/40/65/346484065.db2.gz DOCYEIPUOZHXIY-KRWDZBQOSA-N -1 3 299.345 3.146 20 0 CGADHM Clc1cc2n[n-]c(Br)c2c(Cl)n1 ZINC000514253303 346635779 /nfs/dbraw/zinc/63/57/79/346635779.db2.gz SXEDYPWIIRFRFQ-UHFFFAOYSA-N -1 3 266.913 3.027 20 0 CGADHM CCc1cccc(C(=O)N2CCCc3occc3C2)c1[O-] ZINC000579772822 346673013 /nfs/dbraw/zinc/67/30/13/346673013.db2.gz FMTAIJVBUHECNV-UHFFFAOYSA-N -1 3 285.343 3.136 20 0 CGADHM CCc1cc(=O)[n-]c(CSCc2cc(C3CC3)no2)n1 ZINC000596346976 347427382 /nfs/dbraw/zinc/42/73/82/347427382.db2.gz UFWPGPWCEZHVNZ-UHFFFAOYSA-N -1 3 291.376 3.043 20 0 CGADHM CC(C)[C@H](O)C(C)(C)CNCc1cccc([O-])c1Cl ZINC000339323189 215094906 /nfs/dbraw/zinc/09/49/06/215094906.db2.gz HOANCXNQTMZUKF-AWEZNQCLSA-N -1 3 285.815 3.178 20 0 CGADHM Cc1cc(OCCSC(C)C)cc2occ([O-])c21 ZINC000601926609 347924547 /nfs/dbraw/zinc/92/45/47/347924547.db2.gz ZQKXVSJYCHXGJT-UHFFFAOYSA-N -1 3 266.362 3.091 20 0 CGADHM CC1(C)Cc2ccc(C(=O)NCCCC3CC3)c([O-])c2O1 ZINC000605889620 348168336 /nfs/dbraw/zinc/16/83/36/348168336.db2.gz NGEZULVERLRTOR-UHFFFAOYSA-N -1 3 289.375 3.026 20 0 CGADHM COc1cc([C@@H](C)NCc2cccc([O-])c2Cl)ccn1 ZINC000339405714 215149791 /nfs/dbraw/zinc/14/97/91/215149791.db2.gz YUORKUXNTSRHOA-SNVBAGLBSA-N -1 3 292.766 3.300 20 0 CGADHM C[C@H](C(=O)N=c1cc(-c2ccccc2)[n-][nH]1)c1ccsc1 ZINC000606530622 348190335 /nfs/dbraw/zinc/19/03/35/348190335.db2.gz AGMCQHKBGRKTME-NSHDSACASA-N -1 3 297.383 3.302 20 0 CGADHM [O-]c1ccc(F)c(CNCc2ccsc2)c1F ZINC000351972921 219271980 /nfs/dbraw/zinc/27/19/80/219271980.db2.gz XTIDSVAHGGIZLS-UHFFFAOYSA-N -1 3 255.289 3.022 20 0 CGADHM O=C(CCCF)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000613030171 348560460 /nfs/dbraw/zinc/56/04/60/348560460.db2.gz BCKPJENTAJYTKJ-UHFFFAOYSA-N -1 3 265.206 3.099 20 0 CGADHM O=[S@](Cc1ccn(C2CCCC2)n1)c1cccc([O-])c1 ZINC000273467632 192163528 /nfs/dbraw/zinc/16/35/28/192163528.db2.gz IRPZFLVURAGXID-HXUWFJFHSA-N -1 3 290.388 3.012 20 0 CGADHM CC[C@H](NC(=O)c1cc(SC)ccc1[O-])C(F)(F)F ZINC000613865956 348636363 /nfs/dbraw/zinc/63/63/63/348636363.db2.gz VKSYKQVBTZWZRV-JTQLQIEISA-N -1 3 293.310 3.185 20 0 CGADHM CC(C)(C)CCC(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000615137484 348717531 /nfs/dbraw/zinc/71/75/31/348717531.db2.gz KZLYKMNDISAUBN-UHFFFAOYSA-N -1 3 261.325 3.033 20 0 CGADHM CCC1(CC)CN(C(=O)c2cc(SC)ccc2[O-])C1 ZINC000615350808 348733571 /nfs/dbraw/zinc/73/35/71/348733571.db2.gz ZJOSSTANMGGSKR-UHFFFAOYSA-N -1 3 279.405 3.376 20 0 CGADHM CO[C@H]1CC[C@H](C(=O)Nc2ccc(C(C)(C)C)cc2[O-])C1 ZINC000614489231 348680422 /nfs/dbraw/zinc/68/04/22/348680422.db2.gz SGUKXBKUCIFCCW-AAEUAGOBSA-N -1 3 291.391 3.443 20 0 CGADHM CCCc1ccc(-c2cc(=NC(=O)[C@@H]3C[C@@H]3C)[nH][n-]2)cc1 ZINC000615853534 348769274 /nfs/dbraw/zinc/76/92/74/348769274.db2.gz RACJEOUQHLNMLP-SMDDNHRTSA-N -1 3 283.375 3.046 20 0 CGADHM O=S(=O)([N-]CC1CCC1)c1c(Cl)cccc1Cl ZINC000030360223 137871522 /nfs/dbraw/zinc/87/15/22/137871522.db2.gz LHPHPLWEUFYZBV-UHFFFAOYSA-N -1 3 294.203 3.072 20 0 CGADHM CSc1ccc([O-])c(C(=O)N2C[C@H](C)[C@@H](C)[C@H]2C)c1 ZINC000616343183 348812170 /nfs/dbraw/zinc/81/21/70/348812170.db2.gz BFVSTASCABTMLZ-HBNTYKKESA-N -1 3 279.405 3.231 20 0 CGADHM CCc1cc(C(=O)Nc2cc([C@@H]3C[C@@H]3C)[nH]n2)ccc1[O-] ZINC000616438136 348820387 /nfs/dbraw/zinc/82/03/87/348820387.db2.gz FPVWGURHSSVQLM-JOYOIKCWSA-N -1 3 285.347 3.053 20 0 CGADHM [O-]c1cc(F)cc(CNCc2c(F)cc(F)cc2F)c1 ZINC000339522565 215228630 /nfs/dbraw/zinc/22/86/30/215228630.db2.gz AMTKTXNFVJAUHF-UHFFFAOYSA-N -1 3 285.240 3.238 20 0 CGADHM CO[C@H]1CCC[C@H](C(=O)Nc2ccc([O-])cc2Cl)C1 ZINC000616939634 348884985 /nfs/dbraw/zinc/88/49/85/348884985.db2.gz IPIWCBANEXPKPU-ONGXEEELSA-N -1 3 283.755 3.189 20 0 CGADHM C[C@H]1CC[C@@H](C(=O)Nc2ccc([O-])cc2Cl)C1 ZINC000616941106 348885005 /nfs/dbraw/zinc/88/50/05/348885005.db2.gz RKLICUOHKSKQOV-DTWKUNHWSA-N -1 3 253.729 3.420 20 0 CGADHM CCOc1nc(C(=O)[N-]c2nc(C(C)C)c(C)s2)co1 ZINC000617246839 348938394 /nfs/dbraw/zinc/93/83/94/348938394.db2.gz QBLFMRZTTAJALM-UHFFFAOYSA-N -1 3 295.364 3.214 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)CCC(C)(C)C)o1 ZINC000358464994 233137694 /nfs/dbraw/zinc/13/76/94/233137694.db2.gz PPAOUFYMJYCEMW-JTQLQIEISA-N -1 3 273.398 3.081 20 0 CGADHM [O-]c1cc(F)cc(CN2CCc3ccc(F)c(F)c3C2)c1 ZINC000352010564 219287590 /nfs/dbraw/zinc/28/75/90/219287590.db2.gz GMXJKQQHRSRZKH-UHFFFAOYSA-N -1 3 293.288 3.368 20 0 CGADHM COc1ccc(C=Cc2cc(=O)[n-]c(C3CC3)n2)cc1F ZINC000352027874 219292390 /nfs/dbraw/zinc/29/23/90/219292390.db2.gz QXVVCEAQZVFLOL-QHHAFSJGSA-N -1 3 286.306 3.378 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2cnc(-c3ccco3)s2)n1 ZINC000352025060 219292957 /nfs/dbraw/zinc/29/29/57/219292957.db2.gz CCDSXBPEUDGDJC-PLNGDYQASA-N -1 3 285.328 3.378 20 0 CGADHM [O-]c1ccc(Br)c(CN[C@H]2CCC[C@H]2F)c1 ZINC000339586859 215259270 /nfs/dbraw/zinc/25/92/70/215259270.db2.gz MOAVMOPQEPAFOQ-NEPJUHHUSA-N -1 3 288.160 3.135 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2cn(C)nc2-c2ccccc2)n1 ZINC000352028792 219294092 /nfs/dbraw/zinc/29/40/92/219294092.db2.gz WKRXANBQBDZBNI-HJWRWDBZSA-N -1 3 292.342 3.062 20 0 CGADHM Cc1ccc([O-])c(C(=O)NC2CCC3(CC3(F)F)CC2)c1 ZINC000619233300 349225197 /nfs/dbraw/zinc/22/51/97/349225197.db2.gz IBEDNELKKHHDNS-UHFFFAOYSA-N -1 3 295.329 3.398 20 0 CGADHM CCc1cc(C(=O)N[C@@H](C(C)C)C2CC2)ccc1[O-] ZINC000620045036 349317845 /nfs/dbraw/zinc/31/78/45/349317845.db2.gz SNCCODCBPXZNID-HNNXBMFYSA-N -1 3 261.365 3.119 20 0 CGADHM COc1cccc(C(=O)N(CCC2CC2)CC2CC2)c1[O-] ZINC000620629107 349399319 /nfs/dbraw/zinc/39/93/19/349399319.db2.gz YZMSCLGWAXLPPX-UHFFFAOYSA-N -1 3 289.375 3.053 20 0 CGADHM CN(CC1CCC1)C(=O)c1cc([O-])ccc1C(F)(F)F ZINC000352051534 219303807 /nfs/dbraw/zinc/30/38/07/219303807.db2.gz CMRREXIOQPZRBK-UHFFFAOYSA-N -1 3 287.281 3.283 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CC[C@H](c2ccccc2F)C1 ZINC000625352745 350163195 /nfs/dbraw/zinc/16/31/95/350163195.db2.gz PBVFTKLBNXFUCT-ZDUSSCGKSA-N -1 3 299.345 3.469 20 0 CGADHM COC[C@@H]1CCCCN1Cc1cc([O-])ccc1Cl ZINC000625463736 350175662 /nfs/dbraw/zinc/17/56/62/350175662.db2.gz LAFNEXAWTXNIKQ-LBPRGKRZSA-N -1 3 269.772 3.047 20 0 CGADHM [O-]c1ccc(Cl)c(CN2CCCC(F)(F)C2)c1 ZINC000625510384 350179591 /nfs/dbraw/zinc/17/95/91/350179591.db2.gz CJYPRDMKZZGLQF-UHFFFAOYSA-N -1 3 261.699 3.277 20 0 CGADHM C[C@@H]1CN(C/C=C/c2ccc(F)c(F)c2)CC[C@H]1C(=O)[O-] ZINC000625970570 350238061 /nfs/dbraw/zinc/23/80/61/350238061.db2.gz URXJJDSYKGJCFD-FTYDKLPRSA-N -1 3 295.329 3.021 20 0 CGADHM Cc1cccc([O-])c1C(=O)NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12 ZINC000626181493 350278096 /nfs/dbraw/zinc/27/80/96/350278096.db2.gz LWVNLHGLPOMSNK-DAYGRLMNSA-N -1 3 293.366 3.016 20 0 CGADHM CCC1(CC)CN(C(=O)c2c(C)cccc2[O-])CCS1 ZINC000626473578 350311156 /nfs/dbraw/zinc/31/11/56/350311156.db2.gz VYUNHCXDPCUJIP-UHFFFAOYSA-N -1 3 293.432 3.448 20 0 CGADHM Cc1cccc([O-])c1C(=O)Nc1cnn([C@@H](C)C2CC2)c1 ZINC000626519700 350316769 /nfs/dbraw/zinc/31/67/69/350316769.db2.gz WKRSNCLEAONOQO-NSHDSACASA-N -1 3 285.347 3.120 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CC[C@@H](C)C[C@@H](C)C1 ZINC000626243197 350287328 /nfs/dbraw/zinc/28/73/28/350287328.db2.gz LRYGZGAHVGHITD-VXGBXAGGSA-N -1 3 261.365 3.209 20 0 CGADHM Cc1cccc([O-])c1C(=O)N(CC(F)F)CC1CCC1 ZINC000626298801 350293205 /nfs/dbraw/zinc/29/32/05/350293205.db2.gz VJGUNECUZPMZTH-UHFFFAOYSA-N -1 3 283.318 3.208 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CCC[C@H](c2ccccn2)C1 ZINC000627517766 350363033 /nfs/dbraw/zinc/36/30/33/350363033.db2.gz MPISSCUFKOBPHR-AWEZNQCLSA-N -1 3 296.370 3.115 20 0 CGADHM Cc1cccc([O-])c1C(=O)N[C@H](C)C1CCC(F)CC1 ZINC000628133502 350406291 /nfs/dbraw/zinc/40/62/91/350406291.db2.gz HDAMJRCKJAXSJG-PNESKVBLSA-N -1 3 279.355 3.347 20 0 CGADHM CC[C@@H]1CC[C@@H](C)N(C(=O)c2c(C)cccc2[O-])C1 ZINC000628113323 350400162 /nfs/dbraw/zinc/40/01/62/350400162.db2.gz VVYRWAFAQAMSSQ-CHWSQXEVSA-N -1 3 261.365 3.351 20 0 CGADHM Cc1ccc(C(C)(C)CNC(=O)c2ccc(C)cc2[O-])nc1 ZINC000628718806 350597098 /nfs/dbraw/zinc/59/70/98/350597098.db2.gz FNIQLWZZXKLPPF-UHFFFAOYSA-N -1 3 298.386 3.112 20 0 CGADHM CCc1cc(C(=O)NC[C@]2(C)C[C@H]3C[C@H]3C2)ccc1[O-] ZINC000629046786 350643409 /nfs/dbraw/zinc/64/34/09/350643409.db2.gz JXFLMZYBUTVNEG-XOIINTDNSA-N -1 3 273.376 3.121 20 0 CGADHM CC(C)c1c[nH]c(SCc2cc(=O)[n-]c(C3CC3)n2)n1 ZINC000629224090 350671056 /nfs/dbraw/zinc/67/10/56/350671056.db2.gz HOGIDUKHENNHHM-UHFFFAOYSA-N -1 3 290.392 3.198 20 0 CGADHM CC[C@H](C)c1cccc([N-]S(=O)(=O)CC(C)(C)OC)c1 ZINC000629314272 350675264 /nfs/dbraw/zinc/67/52/64/350675264.db2.gz WXWPOTHRGAMHLM-LBPRGKRZSA-N -1 3 299.436 3.367 20 0 CGADHM CC1(C)CC(CN2Cc3ccccc3[C@H](C(=O)[O-])C2)C1 ZINC000629360423 350677385 /nfs/dbraw/zinc/67/73/85/350677385.db2.gz RAKLMVGIKHTVKD-OAHLLOKOSA-N -1 3 273.376 3.107 20 0 CGADHM C[C@H](CN(C)Cc1ncccc1C(=O)[O-])C1CCCCC1 ZINC000629371547 350681237 /nfs/dbraw/zinc/68/12/37/350681237.db2.gz HYABPIBUTNOSBX-CYBMUJFWSA-N -1 3 290.407 3.428 20 0 CGADHM O=C([O-])c1ccc(CN2CCCC3(CC3)CC2)c(F)c1 ZINC000629377593 350684315 /nfs/dbraw/zinc/68/43/15/350684315.db2.gz JGCJJHIVLSOXAE-UHFFFAOYSA-N -1 3 277.339 3.290 20 0 CGADHM Cc1cc(CN2CCCC3(CC3)CC2)oc1C(=O)[O-] ZINC000629378828 350685113 /nfs/dbraw/zinc/68/51/13/350685113.db2.gz VYVUXSZFBUHGDZ-UHFFFAOYSA-N -1 3 263.337 3.052 20 0 CGADHM CC(C)[C@@H](CNCc1c(F)ccc(F)c1Cl)C(=O)[O-] ZINC000630449386 350841674 /nfs/dbraw/zinc/84/16/74/350841674.db2.gz KTPDRDHOUKKBFV-MRVPVSSYSA-N -1 3 291.725 3.065 20 0 CGADHM C[C@H](NCC1CCCCC1)c1nc(C(=O)[O-])cs1 ZINC000630465224 350844803 /nfs/dbraw/zinc/84/48/03/350844803.db2.gz QRFLJMVKSBAMND-VIFPVBQESA-N -1 3 268.382 3.072 20 0 CGADHM CC[C@@H](C)[C@@H](NCc1c(F)cc(C)cc1Cl)C(=O)[O-] ZINC000630478083 350846896 /nfs/dbraw/zinc/84/68/96/350846896.db2.gz FDYSHMFYGISXJL-NOZJJQNGSA-N -1 3 287.762 3.376 20 0 CGADHM [O-]c1ccc(-c2noc(-c3ccnn3CC3CCC3)n2)cc1 ZINC000632097730 351167122 /nfs/dbraw/zinc/16/71/22/351167122.db2.gz LUMNATLMQGFMFI-UHFFFAOYSA-N -1 3 296.330 3.106 20 0 CGADHM O=C(Nc1ccc(Cl)cc1[O-])[C@@H]1C[C@H]1C1CCOCC1 ZINC000632139823 351172101 /nfs/dbraw/zinc/17/21/01/351172101.db2.gz YGMJIMUTNLWEHJ-NWDGAFQWSA-N -1 3 295.766 3.047 20 0 CGADHM CCC(C)(C)CCNC(=O)Cc1ccc([O-])c(F)c1 ZINC000633968301 351410137 /nfs/dbraw/zinc/41/01/37/351410137.db2.gz JGPVZALLCFAIRF-UHFFFAOYSA-N -1 3 267.344 3.016 20 0 CGADHM CC(C)c1c(-c2ccccc2)[n-]n(C23CC(C2)C3)c1=O ZINC000634624613 351549484 /nfs/dbraw/zinc/54/94/84/351549484.db2.gz LTEXTXZQPAUDIK-KDJCLPLCSA-N -1 3 268.360 3.058 20 0 CGADHM CCCC[C@@H](C)N(CCCC)Cc1cc(C(=O)[O-])nn1C ZINC000635312320 351649933 /nfs/dbraw/zinc/64/99/33/351649933.db2.gz JUMHHVNYTJAWJC-CYBMUJFWSA-N -1 3 295.427 3.299 20 0 CGADHM COc1cc(C(=O)N(C)C[C@@H](C)C(C)(C)C)ccc1[O-] ZINC000636430649 351756322 /nfs/dbraw/zinc/75/63/22/351756322.db2.gz HXWNTDANWAZFKP-LLVKDONJSA-N -1 3 279.380 3.155 20 0 CGADHM CC[C@H](C)CON=C([O-])Nc1nc(C(F)(F)F)cs1 ZINC000291912602 198102942 /nfs/dbraw/zinc/10/29/42/198102942.db2.gz QWQKMNSZWYLQGL-LURJTMIESA-N -1 3 297.302 3.261 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)Nc1nc(C(F)(F)F)cs1 ZINC000291912602 198102943 /nfs/dbraw/zinc/10/29/43/198102943.db2.gz QWQKMNSZWYLQGL-LURJTMIESA-N -1 3 297.302 3.261 20 0 CGADHM C[C@@H](CC(=O)[N-]OC/C=C/Cl)c1cccc(F)c1 ZINC000291984835 198125882 /nfs/dbraw/zinc/12/58/82/198125882.db2.gz ZMNXYHDSDXNLKS-YVGDHZEHSA-N -1 3 271.719 3.120 20 0 CGADHM O=C([N-]OC1CCCC1)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000271639407 191254019 /nfs/dbraw/zinc/25/40/19/191254019.db2.gz CIYSSORYLYUVBW-QWRGUYRKSA-N -1 3 281.302 3.059 20 0 CGADHM CCCSCC(=O)Nc1ccc(Cl)cc1[O-] ZINC000153696850 188098068 /nfs/dbraw/zinc/09/80/68/188098068.db2.gz BMSINXAIGYNQEK-UHFFFAOYSA-N -1 3 259.758 3.127 20 0 CGADHM CCCOc1ccccc1NC([O-])=NO[C@H]1CCCCO1 ZINC000155579084 188214720 /nfs/dbraw/zinc/21/47/20/188214720.db2.gz QBXRHKKAWZNNAM-AWEZNQCLSA-N -1 3 294.351 3.055 20 0 CGADHM CCCOc1ccccc1NC(=O)[N-]O[C@H]1CCCCO1 ZINC000155579084 188214723 /nfs/dbraw/zinc/21/47/23/188214723.db2.gz QBXRHKKAWZNNAM-AWEZNQCLSA-N -1 3 294.351 3.055 20 0 CGADHM CC(F)(F)c1ccccc1[N-]S(=O)(=O)CCCCF ZINC000451092995 535219072 /nfs/dbraw/zinc/21/90/72/535219072.db2.gz ZHUPZEIBENUENE-UHFFFAOYSA-N -1 3 295.326 3.290 20 0 CGADHM Cc1cccc(NC([O-])=NO[C@H]2CCCCO2)c1Cl ZINC000156141047 188245058 /nfs/dbraw/zinc/24/50/58/188245058.db2.gz VZXBRJFGSCFVCB-NSHDSACASA-N -1 3 284.743 3.228 20 0 CGADHM Cc1cccc(NC(=O)[N-]O[C@H]2CCCCO2)c1Cl ZINC000156141047 188245060 /nfs/dbraw/zinc/24/50/60/188245060.db2.gz VZXBRJFGSCFVCB-NSHDSACASA-N -1 3 284.743 3.228 20 0 CGADHM CCC1(C(=O)NCc2ccc([O-])c(F)c2)CCCC1 ZINC000156282352 188253497 /nfs/dbraw/zinc/25/34/97/188253497.db2.gz PWVUCTDMOJWITN-UHFFFAOYSA-N -1 3 265.328 3.118 20 0 CGADHM CC1CCC(=CC(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC000156310520 188254847 /nfs/dbraw/zinc/25/48/47/188254847.db2.gz YYSXUUXNDRPIOX-UHFFFAOYSA-N -1 3 277.339 3.284 20 0 CGADHM CCc1cc(C(=O)Nc2ccccc2CCOC)ccc1[O-] ZINC000292714848 198386035 /nfs/dbraw/zinc/38/60/35/198386035.db2.gz CYFXWQCGLYAGQZ-UHFFFAOYSA-N -1 3 299.370 3.396 20 0 CGADHM CCc1nc(C(=O)[N-]c2cc(F)cc(F)c2F)c(C)o1 ZINC000336385910 213242171 /nfs/dbraw/zinc/24/21/71/213242171.db2.gz TULSIFADAGKDMW-UHFFFAOYSA-N -1 3 284.237 3.215 20 0 CGADHM [O-]c1ccc(-c2noc([C@H]3CCC(F)(F)C3)n2)cc1 ZINC000336373479 213226069 /nfs/dbraw/zinc/22/60/69/213226069.db2.gz OEUKMCIUTDDGPG-VIFPVBQESA-N -1 3 266.247 3.345 20 0 CGADHM COc1cccc([C@H](C)CC(=O)[N-]OC2CCCC2)c1 ZINC000271767481 191315175 /nfs/dbraw/zinc/31/51/75/191315175.db2.gz NINSSXCSVYEWGE-GFCCVEGCSA-N -1 3 277.364 3.179 20 0 CGADHM [O-]C(=NOC1CCCC1)Nc1ccc2[nH]ccc2c1 ZINC000271782287 191321855 /nfs/dbraw/zinc/32/18/55/191321855.db2.gz IDVJNSQLUBBFTO-UHFFFAOYSA-N -1 3 259.309 3.164 20 0 CGADHM O=C([N-]OC1CCCC1)Nc1ccc2[nH]ccc2c1 ZINC000271782287 191321856 /nfs/dbraw/zinc/32/18/56/191321856.db2.gz IDVJNSQLUBBFTO-UHFFFAOYSA-N -1 3 259.309 3.164 20 0 CGADHM CCc1cc(=O)[n-]c(CN[C@H](C)c2ccc(F)c(C)c2)n1 ZINC000271780388 191322082 /nfs/dbraw/zinc/32/20/82/191322082.db2.gz KRRFESIFNHZEFX-LLVKDONJSA-N -1 3 289.354 3.043 20 0 CGADHM COc1cc(C(=O)N2CCC3(CCCC3)CC2)ccc1[O-] ZINC000272563173 191790488 /nfs/dbraw/zinc/79/04/88/191790488.db2.gz AMOSOILWDSLKBP-UHFFFAOYSA-N -1 3 289.375 3.197 20 0 CGADHM O=C([N-]c1ncc(C2CCCCC2)s1)c1csnn1 ZINC000272993381 192012195 /nfs/dbraw/zinc/01/21/95/192012195.db2.gz WNBUICXZDBXABB-UHFFFAOYSA-N -1 3 294.405 3.295 20 0 CGADHM O=[S@@](Cc1ccc2c(c1)CCC2)c1cccc([O-])c1 ZINC000273520772 192185605 /nfs/dbraw/zinc/18/56/05/192185605.db2.gz SPAOLXZTSDGBDQ-IBGZPJMESA-N -1 3 272.369 3.189 20 0 CGADHM Cc1ccc([N-]S(=O)(=O)c2ccoc2)c(Cl)c1 ZINC000336339231 213187008 /nfs/dbraw/zinc/18/70/08/213187008.db2.gz JUKULERVGSXUTB-UHFFFAOYSA-N -1 3 271.725 3.042 20 0 CGADHM O=[S@](C[C@H]1CCCC(F)(F)C1)c1cccc([O-])c1 ZINC000336327396 213172107 /nfs/dbraw/zinc/17/21/07/213172107.db2.gz ZVQCMMARHKPVDF-XTZNXHDOSA-N -1 3 274.332 3.325 20 0 CGADHM CCc1nnc([N-]C(=O)c2cnc(C(C)(C)C)s2)s1 ZINC000108988136 138361443 /nfs/dbraw/zinc/36/14/43/138361443.db2.gz HZMNRRSEBKQDMN-UHFFFAOYSA-N -1 3 296.421 3.107 20 0 CGADHM O=C(CSc1ccc(F)cc1)Nc1ccc([O-])cc1F ZINC000124284085 138373697 /nfs/dbraw/zinc/37/36/97/138373697.db2.gz DFOMEXCNDRKKRN-UHFFFAOYSA-N -1 3 295.310 3.401 20 0 CGADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)C1CC=CC1 ZINC000125288766 138380901 /nfs/dbraw/zinc/38/09/01/138380901.db2.gz DXUWRYSVUMNXQV-UHFFFAOYSA-N -1 3 271.238 3.316 20 0 CGADHM C[C@H](c1cccnc1)N(C)C(=O)c1cc([O-])ccc1Cl ZINC000336260186 213097534 /nfs/dbraw/zinc/09/75/34/213097534.db2.gz GWQLFQIUTQEMQP-SNVBAGLBSA-N -1 3 290.750 3.274 20 0 CGADHM CC[C@H](C)[C@@H](CNCc1cccc([O-])c1Cl)OC ZINC000294346372 199006723 /nfs/dbraw/zinc/00/67/23/199006723.db2.gz YUTYEIASYWTQRN-GXFFZTMASA-N -1 3 271.788 3.196 20 0 CGADHM O=C(Nc1nc2ccccc2[nH]1)c1cc([O-])ccc1Cl ZINC000236610488 138514233 /nfs/dbraw/zinc/51/42/33/138514233.db2.gz NOZALABEIXEGGD-UHFFFAOYSA-N -1 3 287.706 3.174 20 0 CGADHM O=C(Nc1ccccc1[O-])C1(C(F)(F)F)CCC1 ZINC000294478416 199055771 /nfs/dbraw/zinc/05/57/71/199055771.db2.gz JDUKEHVDGXOCCB-UHFFFAOYSA-N -1 3 259.227 3.063 20 0 CGADHM [O-]c1ccc(F)c(CN[C@@H]2C[C@@]2(F)c2ccccc2)c1F ZINC000425356256 236235823 /nfs/dbraw/zinc/23/58/23/236235823.db2.gz QAYWTXSHLHMHBF-GDBMZVCRSA-N -1 3 293.288 3.397 20 0 CGADHM Cc1cc(F)ccc1CNCc1ccccc1CC(=O)[O-] ZINC000426711152 236307222 /nfs/dbraw/zinc/30/72/22/236307222.db2.gz NXGUKYIXOUTMFS-UHFFFAOYSA-N -1 3 287.334 3.051 20 0 CGADHM Cc1cccc([C@H](NCc2cccc(F)c2)C(=O)[O-])c1C ZINC000426720449 236308520 /nfs/dbraw/zinc/30/85/20/236308520.db2.gz MXIGMZKEGCHYDE-INIZCTEOSA-N -1 3 287.334 3.358 20 0 CGADHM Cc1cccc([O-])c1NC(=O)c1ccc(NC(C)C)nc1 ZINC000426950040 236320064 /nfs/dbraw/zinc/32/00/64/236320064.db2.gz AGYUKMGFNRYVPG-UHFFFAOYSA-N -1 3 285.347 3.168 20 0 CGADHM CC1(C(=O)Nc2ccc(Cl)cc2[O-])CCC(=O)CC1 ZINC000336199820 213020075 /nfs/dbraw/zinc/02/00/75/213020075.db2.gz VIDCGRLOERHHOQ-UHFFFAOYSA-N -1 3 281.739 3.134 20 0 CGADHM Cc1ccc(C(=O)NC[C@@H]2CCCC(F)(F)C2)c([O-])c1 ZINC000436496381 237115442 /nfs/dbraw/zinc/11/54/42/237115442.db2.gz QLRQLNPTPKSZFP-LLVKDONJSA-N -1 3 283.318 3.256 20 0 CGADHM Cc1ccc(C(=O)N[C@@H](C)c2ccncc2F)c([O-])c1C ZINC000436689964 237155917 /nfs/dbraw/zinc/15/59/17/237155917.db2.gz TTWCJBBSXIMMAT-NSHDSACASA-N -1 3 288.322 3.034 20 0 CGADHM O=C(c1ccccc1[O-])N(Cc1ccco1)CC(F)(F)F ZINC000436541511 237124454 /nfs/dbraw/zinc/12/44/54/237124454.db2.gz XXOIJQULZQEFIN-UHFFFAOYSA-N -1 3 299.248 3.190 20 0 CGADHM Cc1ccc(C(=O)N(C)Cc2ccc(F)cc2C)c([O-])c1 ZINC000436737660 237170959 /nfs/dbraw/zinc/17/09/59/237170959.db2.gz LXWDFLAUGWVGLF-UHFFFAOYSA-N -1 3 287.334 3.420 20 0 CGADHM CS[C@H](CNC(=O)c1cc(C)ccc1[O-])C(C)(C)C ZINC000436839737 237193568 /nfs/dbraw/zinc/19/35/68/237193568.db2.gz VHTOTEYMSCDPFW-CYBMUJFWSA-N -1 3 281.421 3.208 20 0 CGADHM Cc1ccc([O-])c(C(=O)N[C@H](C)c2ccc(Cl)cn2)c1 ZINC000436846768 237194501 /nfs/dbraw/zinc/19/45/01/237194501.db2.gz YFDGQNUFNRGLPE-SNVBAGLBSA-N -1 3 290.750 3.240 20 0 CGADHM COc1ccc(/C=C/c2nc(-c3ccc([O-])cc3)no2)nc1 ZINC000436888116 237203544 /nfs/dbraw/zinc/20/35/44/237203544.db2.gz QBPKQDPKCPOLBY-WEVVVXLNSA-N -1 3 295.298 3.016 20 0 CGADHM Cc1cc(C)cc(OCCNC(=O)c2ccc([O-])c(C)c2)c1 ZINC000436905477 237206494 /nfs/dbraw/zinc/20/64/94/237206494.db2.gz TULCHXLEOHKXOD-UHFFFAOYSA-N -1 3 299.370 3.126 20 0 CGADHM CCOc1ncccc1-c1noc(-c2ccc(C)cc2[O-])n1 ZINC000436916171 237207328 /nfs/dbraw/zinc/20/73/28/237207328.db2.gz SBIRZJOCGCNMJQ-UHFFFAOYSA-N -1 3 297.314 3.211 20 0 CGADHM Cc1cc(C(=O)NC2[C@@H](C)CCC[C@@H]2C)ccc1[O-] ZINC000436941410 237215423 /nfs/dbraw/zinc/21/54/23/237215423.db2.gz PWSPFCFRABFPCI-QWRGUYRKSA-N -1 3 261.365 3.255 20 0 CGADHM Cc1cc(NC([O-])=NOC(C)C)ccc1OC(C)C ZINC000296995031 200056161 /nfs/dbraw/zinc/05/61/61/200056161.db2.gz UQTOIZJWSZYSBV-UHFFFAOYSA-N -1 3 266.341 3.244 20 0 CGADHM Cc1cc(NC(=O)[N-]OC(C)C)ccc1OC(C)C ZINC000296995031 200056163 /nfs/dbraw/zinc/05/61/63/200056163.db2.gz UQTOIZJWSZYSBV-UHFFFAOYSA-N -1 3 266.341 3.244 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CC(C)(C)[C@H]2C(C)C)c1 ZINC000437008095 237230633 /nfs/dbraw/zinc/23/06/33/237230633.db2.gz ZYQZUVFNJGDUOW-CQSZACIVSA-N -1 3 261.365 3.207 20 0 CGADHM CC(C)ON=C([O-])Nc1cc(-c2ccco2)nn1C(C)C ZINC000297279774 200133933 /nfs/dbraw/zinc/13/39/33/200133933.db2.gz ZJZDHHHKCVAIEI-UHFFFAOYSA-N -1 3 292.339 3.186 20 0 CGADHM CC(C)O[N-]C(=O)Nc1cc(-c2ccco2)nn1C(C)C ZINC000297279774 200133934 /nfs/dbraw/zinc/13/39/34/200133934.db2.gz ZJZDHHHKCVAIEI-UHFFFAOYSA-N -1 3 292.339 3.186 20 0 CGADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1ccc2c(c1)CCCC2 ZINC000297538854 200222290 /nfs/dbraw/zinc/22/22/90/200222290.db2.gz XIHKBKOVUIOWNP-OAHLLOKOSA-N -1 3 290.363 3.145 20 0 CGADHM O=C([N-]O[C@@H]1CCCCO1)Nc1ccc2c(c1)CCCC2 ZINC000297538854 200222292 /nfs/dbraw/zinc/22/22/92/200222292.db2.gz XIHKBKOVUIOWNP-OAHLLOKOSA-N -1 3 290.363 3.145 20 0 CGADHM CCOc1cc(CN2CCC[C@@H]2CF)cc(Cl)c1[O-] ZINC000297521746 200217317 /nfs/dbraw/zinc/21/73/17/200217317.db2.gz WWKIMEZYCQOENN-LLVKDONJSA-N -1 3 287.762 3.378 20 0 CGADHM Cc1cnc(C(C)(C)NC(=O)c2cccc(C)c2[O-])s1 ZINC000176865289 189012510 /nfs/dbraw/zinc/01/25/10/189012510.db2.gz CGGJBSOXVFNIIU-UHFFFAOYSA-N -1 3 290.388 3.131 20 0 CGADHM CCC(CC)(C(=O)Nc1ncccc1[O-])c1ccccc1 ZINC000341885663 216138371 /nfs/dbraw/zinc/13/83/71/216138371.db2.gz IOAGITXWSPTPEL-UHFFFAOYSA-N -1 3 284.359 3.484 20 0 CGADHM Cc1nc(C(=O)[N-]c2nnc(CC(C)C)s2)c(C)s1 ZINC000179198381 189177219 /nfs/dbraw/zinc/17/72/19/189177219.db2.gz YUFATCCYOCCNSK-UHFFFAOYSA-N -1 3 296.421 3.062 20 0 CGADHM CCc1cc(=O)[n-]c(CNC(C)(C)c2cccc(C)c2)n1 ZINC000179586422 189204792 /nfs/dbraw/zinc/20/47/92/189204792.db2.gz JAEFCURPRQFYLK-UHFFFAOYSA-N -1 3 285.391 3.078 20 0 CGADHM Cc1cccnc1[C@@H](NC(=O)c1cccc([O-])c1)C(C)C ZINC000182452107 189324279 /nfs/dbraw/zinc/32/42/79/189324279.db2.gz ZKCCYONVCBHBKE-HNNXBMFYSA-N -1 3 284.359 3.223 20 0 CGADHM Cc1cccc([O-])c1NC(=O)c1cccn1C(C)C ZINC000183015327 189342843 /nfs/dbraw/zinc/34/28/43/189342843.db2.gz DTDGBQCCXPEXND-UHFFFAOYSA-N -1 3 258.321 3.335 20 0 CGADHM CCc1cccc(C)c1NC([O-])=NOCc1cccnc1 ZINC000182866259 189337894 /nfs/dbraw/zinc/33/78/94/189337894.db2.gz AUOJXPXIBZBEDG-UHFFFAOYSA-N -1 3 285.347 3.206 20 0 CGADHM CCc1cccc(C)c1NC(=O)[N-]OCc1cccnc1 ZINC000182866259 189337895 /nfs/dbraw/zinc/33/78/95/189337895.db2.gz AUOJXPXIBZBEDG-UHFFFAOYSA-N -1 3 285.347 3.206 20 0 CGADHM CCc1cc(C(=O)N[C@H](C)c2cccc(O)c2)ccc1[O-] ZINC000342358593 216324331 /nfs/dbraw/zinc/32/43/31/216324331.db2.gz KAOFDRZCUMMRHO-LLVKDONJSA-N -1 3 285.343 3.151 20 0 CGADHM CC(C)N(CC(F)F)C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000183309229 189354678 /nfs/dbraw/zinc/35/46/78/189354678.db2.gz CWFXLZMPTZXVIL-UHFFFAOYSA-N -1 3 297.345 3.387 20 0 CGADHM C[C@H]1CCCC[C@H]1CNC(=O)Cc1ccc([O-])c(F)c1 ZINC000448795063 239052052 /nfs/dbraw/zinc/05/20/52/239052052.db2.gz OVPNALQYCNUXQJ-AAEUAGOBSA-N -1 3 279.355 3.016 20 0 CGADHM CCc1cc(=O)[n-]c(CN[C@H](c2ccccc2)C2CCC2)n1 ZINC000119953323 370726575 /nfs/dbraw/zinc/72/65/75/370726575.db2.gz KJNZVWDLVGIOHD-GOSISDBHSA-N -1 3 297.402 3.376 20 0 CGADHM Cc1csc(S(=O)(=O)[N-]C[C@@H](C)c2ccccc2)c1 ZINC000450984578 240182069 /nfs/dbraw/zinc/18/20/69/240182069.db2.gz FFKDAKDJOOQZKR-GFCCVEGCSA-N -1 3 295.429 3.139 20 0 CGADHM C[C@@H]1CCC[C@H](CNC(=O)Cc2ccc([O-])c(F)c2)[C@@H]1C ZINC000451370001 240283944 /nfs/dbraw/zinc/28/39/44/240283944.db2.gz BCSZIOYNBBTQDW-YRGRVCCFSA-N -1 3 293.382 3.262 20 0 CGADHM CCC1(NC(=O)c2ccc([O-])c(OC)c2)CCCCC1 ZINC000456214927 241379008 /nfs/dbraw/zinc/37/90/08/241379008.db2.gz GNPITJULHDPTFU-UHFFFAOYSA-N -1 3 277.364 3.244 20 0 CGADHM O=c1cc(CN2CCSc3ccccc32)nc(C2CC2)[n-]1 ZINC000459317256 242068753 /nfs/dbraw/zinc/06/87/53/242068753.db2.gz ZOHHZTNKOOENAK-UHFFFAOYSA-N -1 3 299.399 3.172 20 0 CGADHM CCC1(CC)CN(Cc2c(F)ccc([O-])c2F)C1 ZINC000459574490 242135571 /nfs/dbraw/zinc/13/55/71/242135571.db2.gz APFOEQRVDGQPCL-UHFFFAOYSA-N -1 3 255.308 3.292 20 0 CGADHM CC(=O)c1cccc(NC(=O)C2=CCCCC2)c1[O-] ZINC000335542799 212242431 /nfs/dbraw/zinc/24/24/31/212242431.db2.gz MOQWJPWDPJDKPS-UHFFFAOYSA-N -1 3 259.305 3.034 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)Sc2ncc(C(C)C)n2C)n1 ZINC000121726446 370890512 /nfs/dbraw/zinc/89/05/12/370890512.db2.gz IIHBIVDORBTXPA-SNVBAGLBSA-N -1 3 292.408 3.201 20 0 CGADHM CCc1cc(C(=O)NC2(C)Cc3ccccc3C2)ccc1[O-] ZINC000486935086 243381490 /nfs/dbraw/zinc/38/14/90/243381490.db2.gz IPRXAUURPKSDTA-UHFFFAOYSA-N -1 3 295.382 3.242 20 0 CGADHM O=C(Nc1ccccc1[O-])c1cc(-c2ccccc2)[nH]n1 ZINC000017008075 368725084 /nfs/dbraw/zinc/72/50/84/368725084.db2.gz ILDBQZISDUKAMQ-UHFFFAOYSA-N -1 3 279.299 3.035 20 0 CGADHM Cc1ccc([O-])c(C(=O)N[C@@H](C)c2ccccc2)c1 ZINC000019836870 368769683 /nfs/dbraw/zinc/76/96/83/368769683.db2.gz CZBDVXBGLHIOIH-LBPRGKRZSA-N -1 3 255.317 3.192 20 0 CGADHM CCCCN(CC)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000027272984 368869032 /nfs/dbraw/zinc/86/90/32/368869032.db2.gz IIMDIPGFQVGCBV-UHFFFAOYSA-N -1 3 299.374 3.291 20 0 CGADHM CCN(Cc1nc2c3ccccc3oc2c(=O)[n-]1)C1CC1 ZINC000029913199 368899909 /nfs/dbraw/zinc/89/99/09/368899909.db2.gz GYHBRFQINHZJRR-UHFFFAOYSA-N -1 3 283.331 3.066 20 0 CGADHM CC[C@@H](C)N(CC(=O)[O-])Cc1ccccc1Cl ZINC000032108878 368925363 /nfs/dbraw/zinc/92/53/63/368925363.db2.gz IGHCKBVQSQPGPM-SNVBAGLBSA-N -1 3 255.745 3.025 20 0 CGADHM [O-]c1ccc(-c2noc(CCc3ccccc3)n2)cc1 ZINC000034956045 368981828 /nfs/dbraw/zinc/98/18/28/368981828.db2.gz ZGXQBNKXOVGGFK-UHFFFAOYSA-N -1 3 266.300 3.227 20 0 CGADHM O=C(/C=C\c1ccc2ccccc2c1)[N-]OC1CCOCC1 ZINC000492690934 244007300 /nfs/dbraw/zinc/00/73/00/244007300.db2.gz WFIHXJCMZVLBBB-VURMDHGXSA-N -1 3 297.354 3.080 20 0 CGADHM CCN(Cc1cccs1)C(=O)c1ccccc1[O-] ZINC000042209003 369203392 /nfs/dbraw/zinc/20/33/92/369203392.db2.gz RGWRPGOVGKXJKN-UHFFFAOYSA-N -1 3 261.346 3.116 20 0 CGADHM O=C(/C=C\c1ccc[nH]1)Nc1c([O-])cccc1Cl ZINC000493407304 244158069 /nfs/dbraw/zinc/15/80/69/244158069.db2.gz YYAUTMVNYZBZSI-SREVYHEPSA-N -1 3 262.696 3.026 20 0 CGADHM O=C(/C=C\c1ccc(Cl)s1)[N-]OC/C=C/Cl ZINC000493469914 244168664 /nfs/dbraw/zinc/16/86/64/244168664.db2.gz UZXZRTKONCUMDZ-LWLQJDLGSA-N -1 3 278.160 3.215 20 0 CGADHM O=C(c1ccccc1[O-])N1CCC[C@@H]1C1CCCC1 ZINC000044352614 369259917 /nfs/dbraw/zinc/25/99/17/369259917.db2.gz JVSJDZAQAMITDC-CQSZACIVSA-N -1 3 259.349 3.187 20 0 CGADHM O=C(CC1CCCCCC1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000495177779 244363913 /nfs/dbraw/zinc/36/39/13/244363913.db2.gz WKYLUPQLZSACIM-UHFFFAOYSA-N -1 3 299.378 3.166 20 0 CGADHM O=C(CC1CCCCCC1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000495177779 244363918 /nfs/dbraw/zinc/36/39/18/244363918.db2.gz WKYLUPQLZSACIM-UHFFFAOYSA-N -1 3 299.378 3.166 20 0 CGADHM CCC1(C)CCN(C(=O)c2cc(OC)ccc2[O-])CC1 ZINC000060942513 369594300 /nfs/dbraw/zinc/59/43/00/369594300.db2.gz DJQXPWOGUIFHAH-UHFFFAOYSA-N -1 3 277.364 3.053 20 0 CGADHM CCc1ncc(C(=O)[N-]c2c(F)cc(F)cc2F)s1 ZINC000336448106 213314008 /nfs/dbraw/zinc/31/40/08/213314008.db2.gz JGZAHUKRMHNCDO-UHFFFAOYSA-N -1 3 286.278 3.375 20 0 CGADHM CC(C)C[C@H]1CCN(Cc2nc(=O)c3sccc3[n-]2)C1 ZINC000072492437 369822361 /nfs/dbraw/zinc/82/23/61/369822361.db2.gz FUIMEKSTBYVBPF-LLVKDONJSA-N -1 3 291.420 3.265 20 0 CGADHM Cc1ccc(CN[C@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC000074403963 369877804 /nfs/dbraw/zinc/87/78/04/369877804.db2.gz WSHSSDAKWQDCGO-HNNXBMFYSA-N -1 3 273.307 3.050 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CCC[C@H]3CCC[C@@H]32)c1 ZINC000087777534 370030082 /nfs/dbraw/zinc/03/00/82/370030082.db2.gz DSAWQFAQVHTZCR-OCCSQVGLSA-N -1 3 259.349 3.105 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CCC[C@H]2C2CCC2)c1 ZINC000094105877 370166615 /nfs/dbraw/zinc/16/66/15/370166615.db2.gz XWABMUALYRUSMJ-AWEZNQCLSA-N -1 3 259.349 3.105 20 0 CGADHM C[C@H]1CCC[C@@H](CC(=O)Nc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000104367646 370344353 /nfs/dbraw/zinc/34/43/53/370344353.db2.gz KXYFBGMXPABVQH-NWDGAFQWSA-N -1 3 299.378 3.022 20 0 CGADHM C[C@H]1CCC[C@@H](CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000104367646 370344358 /nfs/dbraw/zinc/34/43/58/370344358.db2.gz KXYFBGMXPABVQH-NWDGAFQWSA-N -1 3 299.378 3.022 20 0 CGADHM Cc1cccc(-c2nc(-c3cccs3)no2)c1[O-] ZINC000104411236 370345449 /nfs/dbraw/zinc/34/54/49/370345449.db2.gz IYHVOXNZEKUQKV-UHFFFAOYSA-N -1 3 258.302 3.479 20 0 CGADHM CSc1ccc(C(=O)Nc2ccc(C)cc2[O-])o1 ZINC000112392747 370425253 /nfs/dbraw/zinc/42/52/53/370425253.db2.gz IBRHFJGALSXFSP-UHFFFAOYSA-N -1 3 263.318 3.268 20 0 CGADHM CN(C(=O)c1cc(OCc2ccccc2)ccc1[O-])C1CC1 ZINC000130635235 371049172 /nfs/dbraw/zinc/04/91/72/371049172.db2.gz OHZARRPTXGNUDD-UHFFFAOYSA-N -1 3 297.354 3.206 20 0 CGADHM Cc1cccc(C(=O)N2CCC[C@H]2CC(C)C)c1[O-] ZINC000133238099 371239090 /nfs/dbraw/zinc/23/90/90/371239090.db2.gz NCHGBVRBCUMMAQ-ZDUSSCGKSA-N -1 3 261.365 3.351 20 0 CGADHM O=C(Cc1cnc2ccccc2c1)Nc1cccc([O-])c1F ZINC000133358917 371245500 /nfs/dbraw/zinc/24/55/00/371245500.db2.gz YGZSSHKFEBKRNE-UHFFFAOYSA-N -1 3 296.301 3.261 20 0 CGADHM CCC(C)(C)[C@@H]1CCCN1C(=O)c1ccc(OC)cc1[O-] ZINC000134088696 371301836 /nfs/dbraw/zinc/30/18/36/371301836.db2.gz DSZNGHHVWOFSBB-HNNXBMFYSA-N -1 3 291.391 3.442 20 0 CGADHM O=[S@@](Cc1csc(C2CC2)n1)c1ccc([O-])cc1 ZINC000134267806 371317353 /nfs/dbraw/zinc/31/73/53/371317353.db2.gz IMVXLWRNMOPAHK-GOSISDBHSA-N -1 3 279.386 3.034 20 0 CGADHM O=C(Cc1ccc([O-])cc1Cl)NCCc1cccs1 ZINC000136048306 371458315 /nfs/dbraw/zinc/45/83/15/371458315.db2.gz ODZUYJHESFLSNA-UHFFFAOYSA-N -1 3 295.791 3.009 20 0 CGADHM C[C@H](CCNCc1ccc(Cl)cc1F)CC(=O)[O-] ZINC000277521944 193679620 /nfs/dbraw/zinc/67/96/20/193679620.db2.gz YSJLLASXPAONKT-SECBINFHSA-N -1 3 273.735 3.070 20 0 CGADHM Cc1cscc1NC(=O)c1c[n-]c2ccccc2c1=O ZINC000151300342 371590705 /nfs/dbraw/zinc/59/07/05/371590705.db2.gz VUAOSVXNPDOOCV-UHFFFAOYSA-N -1 3 284.340 3.150 20 0 CGADHM Cc1cscc1NC(=O)c1cnc2ccccc2c1[O-] ZINC000151300342 371590706 /nfs/dbraw/zinc/59/07/06/371590706.db2.gz VUAOSVXNPDOOCV-UHFFFAOYSA-N -1 3 284.340 3.150 20 0 CGADHM Cc1cccc(C(=O)N2CC[C@@H](C3CCCC3)C2)c1[O-] ZINC000421650357 371594484 /nfs/dbraw/zinc/59/44/84/371594484.db2.gz GXDICLVNVGJDJH-CQSZACIVSA-N -1 3 273.376 3.353 20 0 CGADHM COCCCO[N-]C(=O)[C@H]1C[C@H]1c1cccc2ccccc21 ZINC000287902848 371717479 /nfs/dbraw/zinc/71/74/79/371717479.db2.gz SIAGBEXCCVFWQZ-IRXDYDNUSA-N -1 3 299.370 3.028 20 0 CGADHM Cc1ccc([O-])c(C(=O)NCCCCc2ccccc2)c1 ZINC000028836478 541857427 /nfs/dbraw/zinc/85/74/27/541857427.db2.gz BHSRNGOYFMCZEM-UHFFFAOYSA-N -1 3 283.371 3.453 20 0 CGADHM CCc1ccc(-c2nc(C3(OC)CCCC3)no2)c([O-])c1 ZINC000289774107 371817549 /nfs/dbraw/zinc/81/75/49/371817549.db2.gz PVWKDDIZKIMNNW-UHFFFAOYSA-N -1 3 288.347 3.420 20 0 CGADHM Cc1ccc(NC(=O)c2cccnc2C(F)(F)F)c([O-])c1 ZINC000154810265 371880191 /nfs/dbraw/zinc/88/01/91/371880191.db2.gz DMYLEPGMTSDRAM-UHFFFAOYSA-N -1 3 296.248 3.367 20 0 CGADHM O=C(/C=C/c1ccc(F)cc1)NCc1ccc([O-])c(F)c1 ZINC000156270753 371969398 /nfs/dbraw/zinc/96/93/98/371969398.db2.gz OPVVSKNMVPFLBW-XBXARRHUSA-N -1 3 289.281 3.000 20 0 CGADHM CC[C@@](C)(OC)c1noc(/C=C/c2cccc([O-])c2)n1 ZINC000290445072 371989927 /nfs/dbraw/zinc/98/99/27/371989927.db2.gz LHDDENTXJHZVFR-XVJNWHFHSA-N -1 3 274.320 3.217 20 0 CGADHM O=C1c2ccccc2N[C@@H](c2ccc([O-])c(F)c2)N1C1CC1 ZINC000158999698 372096365 /nfs/dbraw/zinc/09/63/65/372096365.db2.gz DGVUVLCLEVJEFQ-MRXNPFEDSA-N -1 3 298.317 3.260 20 0 CGADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1cccc(C(F)F)c1 ZINC000159088338 372105033 /nfs/dbraw/zinc/10/50/33/372105033.db2.gz YBLSPICZCKTJLM-LLVKDONJSA-N -1 3 286.278 3.204 20 0 CGADHM O=C([N-]O[C@@H]1CCCCO1)Nc1cccc(C(F)F)c1 ZINC000159088338 372105037 /nfs/dbraw/zinc/10/50/37/372105037.db2.gz YBLSPICZCKTJLM-LLVKDONJSA-N -1 3 286.278 3.204 20 0 CGADHM C[C@H](Sc1ccccn1)C(=O)Nc1cc(F)ccc1[O-] ZINC000161571454 372337112 /nfs/dbraw/zinc/33/71/12/372337112.db2.gz ZHXKLWBREZCNIK-VIFPVBQESA-N -1 3 292.335 3.046 20 0 CGADHM C[C@H](NCc1cccc([O-])c1Cl)[C@@H]1CCCCO1 ZINC000293323233 372353599 /nfs/dbraw/zinc/35/35/99/372353599.db2.gz RCSRAYUDXLAQKI-GWCFXTLKSA-N -1 3 269.772 3.093 20 0 CGADHM CC(C)(C(=O)Nc1ccc(-c2nnn[n-]2)cc1)C1CCCC1 ZINC000162229338 372382262 /nfs/dbraw/zinc/38/22/62/372382262.db2.gz QCQVLCSSSLNTJD-UHFFFAOYSA-N -1 3 299.378 3.022 20 0 CGADHM CC(C)(C(=O)Nc1ccc(-c2nn[n-]n2)cc1)C1CCCC1 ZINC000162229338 372382271 /nfs/dbraw/zinc/38/22/71/372382271.db2.gz QCQVLCSSSLNTJD-UHFFFAOYSA-N -1 3 299.378 3.022 20 0 CGADHM C[C@@](O)(CNCc1cccc([O-])c1Cl)c1ccccc1 ZINC000293580483 372416425 /nfs/dbraw/zinc/41/64/25/372416425.db2.gz NRCFODIYDJXODO-MRXNPFEDSA-N -1 3 291.778 3.043 20 0 CGADHM O=C(CCCc1ccc(Cl)cc1)[N-]OCC1CC1 ZINC000293764352 372473171 /nfs/dbraw/zinc/47/31/71/372473171.db2.gz LYVUFXGXONWVSX-UHFFFAOYSA-N -1 3 267.756 3.121 20 0 CGADHM O=C(Nc1ccc([O-])cc1F)c1sccc1Cl ZINC000163000725 372439974 /nfs/dbraw/zinc/43/99/74/372439974.db2.gz HPOAGXFAYUCANA-UHFFFAOYSA-N -1 3 271.700 3.499 20 0 CGADHM COC(=O)c1ccc(C(=O)Nc2ccc(C)cc2Cl)[n-]1 ZINC000431245964 372447077 /nfs/dbraw/zinc/44/70/77/372447077.db2.gz KJVGQBHNBCPULJ-UHFFFAOYSA-N -1 3 292.722 3.015 20 0 CGADHM [O-]c1cccc(CNC[C@@H](O)C2CCCCC2)c1Cl ZINC000293678089 372447863 /nfs/dbraw/zinc/44/78/63/372447863.db2.gz VHJFCTMENMUUNU-CQSZACIVSA-N -1 3 283.799 3.076 20 0 CGADHM COCc1ccc(CNCc2c(F)ccc([O-])c2F)cc1 ZINC000293799873 372487356 /nfs/dbraw/zinc/48/73/56/372487356.db2.gz BWRAHGZGTROUHK-UHFFFAOYSA-N -1 3 293.313 3.107 20 0 CGADHM CC(C)[C@@H](NCc1c(Cl)oc2ccccc21)C(=O)[O-] ZINC000164469108 372519507 /nfs/dbraw/zinc/51/95/07/372519507.db2.gz STVVHQNKSIGKGG-GFCCVEGCSA-N -1 3 281.739 3.285 20 0 CGADHM CSCCN(C)Cc1c2ccccc2sc1C(=O)[O-] ZINC000167726066 372603065 /nfs/dbraw/zinc/60/30/65/372603065.db2.gz XRVDHYCVHGXOFF-UHFFFAOYSA-N -1 3 295.429 3.394 20 0 CGADHM COc1ccc([O-])c(C(=O)N(C)Cc2cc(C)cc(C)c2)c1 ZINC000434001416 372647427 /nfs/dbraw/zinc/64/74/27/372647427.db2.gz IIPTVOBAHIITRL-UHFFFAOYSA-N -1 3 299.370 3.290 20 0 CGADHM CCCO[C@@H]1CCCN(Cc2c(F)ccc([O-])c2F)CC1 ZINC000295289650 372727728 /nfs/dbraw/zinc/72/77/28/372727728.db2.gz JCTDRFBTPVMPKD-GFCCVEGCSA-N -1 3 299.361 3.452 20 0 CGADHM [O-]c1cccc(CN(C[C@@H]2CCOC2)C2CC2)c1Cl ZINC000295241256 372714141 /nfs/dbraw/zinc/71/41/41/372714141.db2.gz DZHXHXOMPWPBKV-NSHDSACASA-N -1 3 281.783 3.047 20 0 CGADHM CC[C@H](C)[C@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC000436535453 372836408 /nfs/dbraw/zinc/83/64/08/372836408.db2.gz KWVLKTRDABOBDW-GXTWGEPZSA-N -1 3 261.365 3.433 20 0 CGADHM Cc1nc(CCC(=O)[N-]OC(C)C)oc1-c1ccccc1 ZINC000295760029 372901793 /nfs/dbraw/zinc/90/17/93/372901793.db2.gz VRNCKXDUTQEBQW-UHFFFAOYSA-N -1 3 288.347 3.039 20 0 CGADHM CC(C)O[N-]C(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000295773692 372905594 /nfs/dbraw/zinc/90/55/94/372905594.db2.gz XDIPEDPBSKORMI-CVEARBPZSA-N -1 3 269.344 3.400 20 0 CGADHM CC(C)O[N-]C(=O)[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000295790625 372911743 /nfs/dbraw/zinc/91/17/43/372911743.db2.gz YZGGJQRZUMPITJ-NWDGAFQWSA-N -1 3 287.281 3.265 20 0 CGADHM C[C@@H](CC(F)(F)F)NC(=O)Cc1ccc([O-])cc1Cl ZINC000344817220 217320784 /nfs/dbraw/zinc/32/07/84/217320784.db2.gz DJESXGMUCRYMEK-ZETCQYMHSA-N -1 3 295.688 3.045 20 0 CGADHM COc1ccc(C(=O)N2[C@H](C)C[C@@H]3CCCC[C@@H]32)c([O-])c1 ZINC000173051272 373084814 /nfs/dbraw/zinc/08/48/14/373084814.db2.gz DNNFINKZMCQJQK-XUJVJEKNSA-N -1 3 289.375 3.194 20 0 CGADHM O=[S@@](CCCc1ccccc1)c1ccc([O-])cc1 ZINC000173154079 373100665 /nfs/dbraw/zinc/10/06/65/373100665.db2.gz WXIGIXPJKDRYAG-SFHVURJKSA-N -1 3 260.358 3.133 20 0 CGADHM CC[C@@H](Cc1ccccc1)N(C)C(=O)c1ccccc1[O-] ZINC000173560224 373157835 /nfs/dbraw/zinc/15/78/35/373157835.db2.gz WMGFISIWKOJDKF-HNNXBMFYSA-N -1 3 283.371 3.486 20 0 CGADHM Cc1cccc(NC(=O)[N-]OCC2CC2)c1Br ZINC000296539222 373170395 /nfs/dbraw/zinc/17/03/95/373170395.db2.gz AWUZXGPFHXFZBC-UHFFFAOYSA-N -1 3 299.168 3.221 20 0 CGADHM CC[C@H](C)CON=C([O-])Nc1cc(F)cc(F)c1F ZINC000296632296 373201706 /nfs/dbraw/zinc/20/17/06/373201706.db2.gz DGJCXQAPBWSDLP-ZETCQYMHSA-N -1 3 276.258 3.203 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)Nc1cc(F)cc(F)c1F ZINC000296632296 373201709 /nfs/dbraw/zinc/20/17/09/373201709.db2.gz DGJCXQAPBWSDLP-ZETCQYMHSA-N -1 3 276.258 3.203 20 0 CGADHM Cc1nc(CCCC(=O)[N-]OCc2ccccc2)cs1 ZINC000175072182 373403849 /nfs/dbraw/zinc/40/38/49/373403849.db2.gz GOCXNKZLEGBLPC-UHFFFAOYSA-N -1 3 290.388 3.022 20 0 CGADHM COc1ccc([O-])c(C(=O)N2C[C@@H](C)[C@@H]2c2ccccc2)c1 ZINC000175152214 373419190 /nfs/dbraw/zinc/41/91/90/373419190.db2.gz MYTMNJVETZHEOV-SJKOYZFVSA-N -1 3 297.354 3.234 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCC3(CCCC3)CC2)n1 ZINC000447856073 373510453 /nfs/dbraw/zinc/51/04/53/373510453.db2.gz XOHFDAHDASROAQ-CYBMUJFWSA-N -1 3 275.396 3.208 20 0 CGADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H]3CC=CCC3)nc2)n1 ZINC000301357718 373758037 /nfs/dbraw/zinc/75/80/37/373758037.db2.gz YYZZXUHPQYPYBH-AWEZNQCLSA-N -1 3 296.374 3.327 20 0 CGADHM Cc1cccc([O-])c1NC(=O)c1cccc(-n2ccnc2)c1 ZINC000179566490 373888668 /nfs/dbraw/zinc/88/86/68/373888668.db2.gz SGRKGOHXZOVAPF-UHFFFAOYSA-N -1 3 293.326 3.139 20 0 CGADHM CCC[C@H](CC(C)C)C(=O)N=c1[nH][n-]c(CC)c1C ZINC000449851695 373944647 /nfs/dbraw/zinc/94/46/47/373944647.db2.gz RDTJJYUKIQKPRF-GFCCVEGCSA-N -1 3 265.401 3.103 20 0 CGADHM CC[C@H](C)c1cc(C(=O)[N-]c2ncccc2Cl)on1 ZINC000179988041 373950304 /nfs/dbraw/zinc/95/03/04/373950304.db2.gz KVCKLZJRGGSKBT-QMMMGPOBSA-N -1 3 279.727 3.489 20 0 CGADHM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)Cc1ccc([O-])c(F)c1 ZINC000449879434 373956516 /nfs/dbraw/zinc/95/65/16/373956516.db2.gz HIWZEJHTASYHQS-ZLDLUXBVSA-N -1 3 291.366 3.253 20 0 CGADHM CC(C)OC(C)(C)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000450219721 374004222 /nfs/dbraw/zinc/00/42/22/374004222.db2.gz FMDAIQUTPFJOKM-UHFFFAOYSA-N -1 3 271.744 3.188 20 0 CGADHM Cc1cccc(C(=O)Nc2cnn(-c3ccccc3)c2)c1[O-] ZINC000303059992 374009707 /nfs/dbraw/zinc/00/97/07/374009707.db2.gz UJFYPKJFJWEGFI-UHFFFAOYSA-N -1 3 293.326 3.139 20 0 CGADHM CCC[C@H]1CCC[C@H]1C(=O)NCc1ccc([O-])c(F)c1 ZINC000449915195 373970049 /nfs/dbraw/zinc/97/00/49/373970049.db2.gz SRAGDDTWZBRDBV-QWHCGFSZSA-N -1 3 279.355 3.364 20 0 CGADHM CCCc1cnc(NC(=O)Cc2ccc([O-])c(F)c2)s1 ZINC000450437735 374129239 /nfs/dbraw/zinc/12/92/39/374129239.db2.gz TXYFEURDNVOXFO-UHFFFAOYSA-N -1 3 294.351 3.122 20 0 CGADHM CCS[C@H]1CCC[C@@H]1N=c1[n-]c(C(C)=O)c(C)s1 ZINC000450368772 374086076 /nfs/dbraw/zinc/08/60/76/374086076.db2.gz JVTQEULNBSNYOH-QWRGUYRKSA-N -1 3 284.450 3.162 20 0 CGADHM CSc1cccc(N(C)C(=O)c2cccc([O-])c2)c1 ZINC000182291927 374252503 /nfs/dbraw/zinc/25/25/03/374252503.db2.gz QRPXLHRESCPSKX-UHFFFAOYSA-N -1 3 273.357 3.391 20 0 CGADHM CCC1(CC)CN(C(=O)c2c[n-]c3c(C)cccc3c2=O)C1 ZINC000452155201 374254561 /nfs/dbraw/zinc/25/45/61/374254561.db2.gz UNEPHBSQXVFQCM-UHFFFAOYSA-N -1 3 298.386 3.099 20 0 CGADHM C[C@H](c1cc(F)ccc1F)N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000312628313 374287428 /nfs/dbraw/zinc/28/74/28/374287428.db2.gz YOXSMKSRAOECQP-CKYFFXLPSA-N -1 3 283.318 3.068 20 0 CGADHM Cc1cccc(C(=O)N2C[C@H](C)C[C@@H]2c2cccnc2)c1[O-] ZINC000182790915 374328668 /nfs/dbraw/zinc/32/86/68/374328668.db2.gz KWPKDEALGKCHIZ-MLGOLLRUSA-N -1 3 296.370 3.319 20 0 CGADHM O=C([O-])c1ccc(CN2CCc3ccccc3CC2)c(F)c1 ZINC000316285167 374331811 /nfs/dbraw/zinc/33/18/11/374331811.db2.gz UMAOORSTOYFLRX-UHFFFAOYSA-N -1 3 299.345 3.125 20 0 CGADHM CCC[C@@H](C)[C@H]1CCCN1C(=O)c1ccc(O)cc1[O-] ZINC000182830049 374332393 /nfs/dbraw/zinc/33/23/93/374332393.db2.gz YXKXIFHFPHSOLY-BXUZGUMPSA-N -1 3 277.364 3.139 20 0 CGADHM Cc1cccc([O-])c1NC(=O)c1cc(-c2ccco2)on1 ZINC000183027781 374357601 /nfs/dbraw/zinc/35/76/01/374357601.db2.gz OXXLAHHTXJOFIZ-UHFFFAOYSA-N -1 3 284.271 3.201 20 0 CGADHM Cc1c(C(=O)N2CCCc3cccc([O-])c32)cnn1C(C)C ZINC000182936509 374346169 /nfs/dbraw/zinc/34/61/69/374346169.db2.gz ZSENQSWMPLUTEB-UHFFFAOYSA-N -1 3 299.374 3.071 20 0 CGADHM Cc1nc(C(=O)[N-]c2c(F)cccc2F)c(C)s1 ZINC000082264910 541928380 /nfs/dbraw/zinc/92/83/80/541928380.db2.gz PKRFHAVQPSGZNB-UHFFFAOYSA-N -1 3 268.288 3.290 20 0 CGADHM CSc1ccc(C(=O)Nc2ccc([O-])cc2F)o1 ZINC000183239721 374391533 /nfs/dbraw/zinc/39/15/33/374391533.db2.gz HUIDVFYFQTVFSY-UHFFFAOYSA-N -1 3 267.281 3.099 20 0 CGADHM CC[C@@H](C)c1cc(C(=O)Nc2ccc([O-])cc2F)on1 ZINC000183285097 374396844 /nfs/dbraw/zinc/39/68/44/374396844.db2.gz WVVLIAGAMCQTET-MRVPVSSYSA-N -1 3 278.283 3.285 20 0 CGADHM O=[S@@](Cc1c(F)cccc1Cl)c1cccc([O-])c1 ZINC000184039746 374483596 /nfs/dbraw/zinc/48/35/96/374483596.db2.gz FEGHKDVLFUQLBX-SFHVURJKSA-N -1 3 284.739 3.493 20 0 CGADHM Cc1cc(C(=O)N2C[C@H](C(C)C)[C@H]2C(C)C)ccc1[O-] ZINC000456324961 374514807 /nfs/dbraw/zinc/51/48/07/374514807.db2.gz HYTPQVHXAGMBMI-GDBMZVCRSA-N -1 3 275.392 3.453 20 0 CGADHM COc1cc(C(=O)N2C[C@H](C(C)C)[C@H]2C(C)C)ccc1[O-] ZINC000456356838 374525073 /nfs/dbraw/zinc/52/50/73/374525073.db2.gz XRIDRRDKPOXGLK-CZUORRHYSA-N -1 3 291.391 3.153 20 0 CGADHM CC(C)c1ccc(C(=O)N[C@@H]2C[C@@H](C)n3ccnc32)c([O-])c1 ZINC000456440210 374543847 /nfs/dbraw/zinc/54/38/47/374543847.db2.gz YKBBCKBQFQFKKP-BXUZGUMPSA-N -1 3 299.374 3.148 20 0 CGADHM Cc1cccc2c(=O)c(C(=O)N3CC(C)(C)C[C@H]3C)c[n-]c12 ZINC000332038777 374550432 /nfs/dbraw/zinc/55/04/32/374550432.db2.gz WOBYKPRISOQNGS-GFCCVEGCSA-N -1 3 298.386 3.097 20 0 CGADHM CC(C)c1ccc(C(=O)NC[C@@H]2CCO[C@@H](C)C2)c([O-])c1 ZINC000334087744 374647010 /nfs/dbraw/zinc/64/70/10/374647010.db2.gz OKEYVFZDAVUDMP-QWHCGFSZSA-N -1 3 291.391 3.061 20 0 CGADHM CC(C)COC1CCN(Cc2cc([O-])cc(F)c2)CC1 ZINC000186194066 374812864 /nfs/dbraw/zinc/81/28/64/374812864.db2.gz WNWXXXDVCFECJX-UHFFFAOYSA-N -1 3 281.371 3.168 20 0 CGADHM CCCO[C@@H]1CCCN(Cc2cc([O-])cc(F)c2)CC1 ZINC000186222594 374817058 /nfs/dbraw/zinc/81/70/58/374817058.db2.gz FINVOVJCVOJPSF-MRXNPFEDSA-N -1 3 281.371 3.312 20 0 CGADHM C[C@@H]1CCN(C(=O)COc2ccccc2)c2c([O-])cccc21 ZINC000186298435 374828509 /nfs/dbraw/zinc/82/85/09/374828509.db2.gz NLPWIQJEIRKNPI-CYBMUJFWSA-N -1 3 297.354 3.311 20 0 CGADHM C[C@]1(NC(=O)Cc2ccc([O-])cc2Cl)CC=CCC1 ZINC000458350293 374776462 /nfs/dbraw/zinc/77/64/62/374776462.db2.gz RDWLKRCFOGDPSM-HNNXBMFYSA-N -1 3 279.767 3.203 20 0 CGADHM Cc1cccc([O-])c1NC(=O)[C@@H]1CCC[C@H](F)C1 ZINC000335083253 375116309 /nfs/dbraw/zinc/11/63/09/375116309.db2.gz IADRSZWGXJIGFW-MNOVXSKESA-N -1 3 251.301 3.167 20 0 CGADHM CCc1cc(C(=O)N2CCCC3(CCC3)C2)ccc1[O-] ZINC000487569105 375256206 /nfs/dbraw/zinc/25/62/06/375256206.db2.gz DCTHHSOEDCXFJC-UHFFFAOYSA-N -1 3 273.376 3.361 20 0 CGADHM [O-]c1cccc(CN[C@H]2CC[C@H](F)C2)c1Br ZINC000335168190 375194417 /nfs/dbraw/zinc/19/44/17/375194417.db2.gz HJBIJCNFJQEKPV-UWVGGRQHSA-N -1 3 288.160 3.135 20 0 CGADHM Cc1ccc(C(=O)N[C@@H](C)c2ccc(Cl)cn2)c([O-])c1 ZINC000188722152 375261155 /nfs/dbraw/zinc/26/11/55/375261155.db2.gz APDRXXQSFDDRAK-JTQLQIEISA-N -1 3 290.750 3.240 20 0 CGADHM CCc1ccc(C(=O)N2CCC[C@@H]2c2cccn2C)c([O-])c1 ZINC000188780281 375268859 /nfs/dbraw/zinc/26/88/59/375268859.db2.gz OPRPMUCRKDXHAU-MRXNPFEDSA-N -1 3 298.386 3.270 20 0 CGADHM C[C@H](c1ccc(Cl)cc1)N(C)C(=O)c1csc(=O)[n-]1 ZINC000335693447 375351523 /nfs/dbraw/zinc/35/15/23/375351523.db2.gz BLTYVIONHZEQBF-MRVPVSSYSA-N -1 3 296.779 3.335 20 0 CGADHM O=[S@@](C[C@H]1CCCC(F)(F)C1)c1ccc([O-])cc1 ZINC000335921975 375541649 /nfs/dbraw/zinc/54/16/49/375541649.db2.gz MXFJIZWKZGLKFF-YPMLDQLKSA-N -1 3 274.332 3.325 20 0 CGADHM CCc1[nH]ccc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000335942187 375557417 /nfs/dbraw/zinc/55/74/17/375557417.db2.gz FZNWMZZVLTWOKD-UHFFFAOYSA-N -1 3 264.712 3.188 20 0 CGADHM CC(=O)c1cc(C(=O)Nc2c(C)cccc2[O-])cs1 ZINC000336026173 375630221 /nfs/dbraw/zinc/63/02/21/375630221.db2.gz BZVFZGFBWRYTIA-UHFFFAOYSA-N -1 3 275.329 3.217 20 0 CGADHM Cc1ccc(C(=O)Nc2ccnc(C)c2Cl)c([O-])c1 ZINC000121856097 542021768 /nfs/dbraw/zinc/02/17/68/542021768.db2.gz LRBFGNLTPWZJCD-UHFFFAOYSA-N -1 3 276.723 3.310 20 0 CGADHM Cc1ccc(C(=O)N2CC[C@@H]3CCC[C@H]32)c([O-])c1C ZINC000336157034 375734237 /nfs/dbraw/zinc/73/42/37/375734237.db2.gz WTDDQKYWPXXOBY-GXTWGEPZSA-N -1 3 259.349 3.024 20 0 CGADHM CCCN(CC(C)C)C(=O)Cc1ccc([O-])cc1Cl ZINC000508603053 375752437 /nfs/dbraw/zinc/75/24/37/375752437.db2.gz HJSHSZHCGYKKTA-UHFFFAOYSA-N -1 3 283.799 3.483 20 0 CGADHM Cc1csc2c1ncnc2NCc1ccc([O-])c(F)c1 ZINC000192613896 375771467 /nfs/dbraw/zinc/77/14/67/375771467.db2.gz ANYZUJIZFRZUAP-UHFFFAOYSA-N -1 3 289.335 3.457 20 0 CGADHM O=C(N[C@@H]1CC12CCCC2)c1cc([O-])ccc1C(F)(F)F ZINC000336632030 375891989 /nfs/dbraw/zinc/89/19/89/375891989.db2.gz ANYLJCBAEGUZIL-GFCCVEGCSA-N -1 3 299.292 3.474 20 0 CGADHM COC(=O)c1cnc(S[C@H](C)c2cc(F)ccc2F)[n-]1 ZINC000193547237 375893023 /nfs/dbraw/zinc/89/30/23/375893023.db2.gz BOJTVFSKDYVDAQ-SSDOTTSWSA-N -1 3 298.314 3.328 20 0 CGADHM COC(=O)c1cnc(SCCCc2cccc(C)c2)[n-]1 ZINC000193553143 375893318 /nfs/dbraw/zinc/89/33/18/375893318.db2.gz WKSLAOGGLYVPFT-UHFFFAOYSA-N -1 3 290.388 3.230 20 0 CGADHM Cc1nc([N-]C(=O)c2cnc([C@@H]3CCCO3)s2)cs1 ZINC000535728384 376051291 /nfs/dbraw/zinc/05/12/91/376051291.db2.gz HWTPUNVFFOKUOH-QMMMGPOBSA-N -1 3 295.389 3.012 20 0 CGADHM O=C(N[C@H]1CCSc2ccccc21)c1cccc([O-])c1 ZINC000194339394 375986014 /nfs/dbraw/zinc/98/60/14/375986014.db2.gz BLKAMZSXOMROJD-AWEZNQCLSA-N -1 3 285.368 3.359 20 0 CGADHM O=C(c1ccc2c(c1[O-])CCCC2)N1C[C@@H]2CCC[C@H]2C1 ZINC000183115177 296239215 /nfs/dbraw/zinc/23/92/15/296239215.db2.gz CEUDFZVFOQLLQX-KBPBESRZSA-N -1 3 285.387 3.143 20 0 CGADHM COc1ccc([O-])c(C(=O)N2CCC[C@H]2C(C)(C)C)c1 ZINC000536720918 376126984 /nfs/dbraw/zinc/12/69/84/376126984.db2.gz XPUZVIDQIHSAFX-AWEZNQCLSA-N -1 3 277.364 3.052 20 0 CGADHM COc1cc(NCc2nc(C)ccc2[O-])c(C)c(OC)c1 ZINC000337282269 376188760 /nfs/dbraw/zinc/18/87/60/376188760.db2.gz IGDSRVBKZSJPFM-UHFFFAOYSA-N -1 3 288.347 3.033 20 0 CGADHM CN(C(=O)c1cc2c(cc1[O-])CCCC2)c1nccs1 ZINC000537640787 376188922 /nfs/dbraw/zinc/18/89/22/376188922.db2.gz KFKQGXURWTWEBO-UHFFFAOYSA-N -1 3 288.372 3.004 20 0 CGADHM CCCC[C@@H](CC)C[N-]S(=O)(=O)c1ccc(C)o1 ZINC000538004765 376217175 /nfs/dbraw/zinc/21/71/75/376217175.db2.gz PHHZFJUVPWZWII-GFCCVEGCSA-N -1 3 273.398 3.083 20 0 CGADHM C[C@@H](N[C@H](C)c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000223833219 376263671 /nfs/dbraw/zinc/26/36/71/376263671.db2.gz UUPRTKQMXDXNSA-RNFRBKRXSA-N -1 3 262.136 3.117 20 0 CGADHM COc1ccc2cc(C(=O)Nc3c(C)cccc3[O-])[nH]c2c1 ZINC000540916570 376404332 /nfs/dbraw/zinc/40/43/32/376404332.db2.gz RVNCXZGUIODIGF-UHFFFAOYSA-N -1 3 296.326 3.443 20 0 CGADHM Cc1ccc(F)c(NC(=O)c2ccc([O-])c(C)c2)c1 ZINC000226715413 376370003 /nfs/dbraw/zinc/37/00/03/376370003.db2.gz UVWKIMBVSAPCAK-UHFFFAOYSA-N -1 3 259.280 3.400 20 0 CGADHM Cc1cc(C(=O)N(C)Cc2cccc(F)c2)ccc1[O-] ZINC000226714346 376370084 /nfs/dbraw/zinc/37/00/84/376370084.db2.gz PCYAHTOAJKCRGH-UHFFFAOYSA-N -1 3 273.307 3.112 20 0 CGADHM Cc1cc(C(=O)Nc2cc(F)c(F)cc2F)ccc1[O-] ZINC000226996217 376377287 /nfs/dbraw/zinc/37/72/87/376377287.db2.gz ASDORIMUBBTNTI-UHFFFAOYSA-N -1 3 281.233 3.370 20 0 CGADHM Cc1cc(C(=O)N2CCCC(C)(C)CC2)ccc1[O-] ZINC000227034845 376378939 /nfs/dbraw/zinc/37/89/39/376378939.db2.gz YYOUGTTWCIIMES-UHFFFAOYSA-N -1 3 261.365 3.353 20 0 CGADHM CC(C)C[C@H](C)NC(=O)c1cc([O-])ccc1Cl ZINC000232619701 376584897 /nfs/dbraw/zinc/58/48/97/376584897.db2.gz BHSNPBYFNYEJJY-VIFPVBQESA-N -1 3 255.745 3.210 20 0 CGADHM CC(C)c1cc(C(=O)[N-]c2cc(F)cc(F)c2F)no1 ZINC000334322520 206368752 /nfs/dbraw/zinc/36/87/52/206368752.db2.gz IZBWSQLATZQABV-UHFFFAOYSA-N -1 3 284.237 3.468 20 0 CGADHM O=C(Nc1cccc(F)c1)c1cc([O-])ccc1Cl ZINC000236558834 376667076 /nfs/dbraw/zinc/66/70/76/376667076.db2.gz WZLVVOULLCSPQE-UHFFFAOYSA-N -1 3 265.671 3.437 20 0 CGADHM CC(C)[C@H](c1ccccc1Cl)N(C)CCC(=O)[O-] ZINC000236720149 376686136 /nfs/dbraw/zinc/68/61/36/376686136.db2.gz KKKDKJTWQWTKNO-CQSZACIVSA-N -1 3 269.772 3.444 20 0 CGADHM O=C(Nc1ncccc1[O-])[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000339658156 376789948 /nfs/dbraw/zinc/78/99/48/376789948.db2.gz QBKPWYSMPPZYBR-JHJVBQTASA-N -1 3 274.364 3.332 20 0 CGADHM CCOc1ccc(CN(C)C(=O)c2cccc([O-])c2)cc1 ZINC000339991958 376889017 /nfs/dbraw/zinc/88/90/17/376889017.db2.gz YHFWTGILPRLIAO-UHFFFAOYSA-N -1 3 285.343 3.063 20 0 CGADHM CC(C)(C)c1ccc(NC(=O)[C@H]2CCCOCC2)c([O-])c1 ZINC000558617742 377025176 /nfs/dbraw/zinc/02/51/76/377025176.db2.gz QNMRPKFUUCMGBN-LBPRGKRZSA-N -1 3 291.391 3.445 20 0 CGADHM C[C@H](C(=O)Nc1cccc(Cl)c1[O-])N1[C@H](C)CC[C@H]1C ZINC000246737117 377081455 /nfs/dbraw/zinc/08/14/55/377081455.db2.gz KAQHRTPFQXHMBX-GMTAPVOTSA-N -1 3 296.798 3.245 20 0 CGADHM COc1cccc([C@@H]2CCCN2Cc2ncccc2[O-])c1 ZINC000561945077 377254737 /nfs/dbraw/zinc/25/47/37/377254737.db2.gz JLRABNGPQUJWHE-INIZCTEOSA-N -1 3 284.359 3.133 20 0 CGADHM Cc1cccc(S(=O)(=O)[N-]C(C)(C)C(C)(C)C)c1F ZINC000313214591 249088957 /nfs/dbraw/zinc/08/89/57/249088957.db2.gz HMOYKZDWZCCTNJ-UHFFFAOYSA-N -1 3 287.400 3.237 20 0 CGADHM COCC1(c2noc(-c3ccc(C)cc3[O-])n2)CCCC1 ZINC000312975996 249083731 /nfs/dbraw/zinc/08/37/31/249083731.db2.gz HOWKFFCVHKVGAF-UHFFFAOYSA-N -1 3 288.347 3.209 20 0 CGADHM O=[S@](Cc1ccc2c(c1)CCC2)c1ccc([O-])cc1 ZINC000265201322 190165501 /nfs/dbraw/zinc/16/55/01/190165501.db2.gz LFNPBKNPYWUULL-LJQANCHMSA-N -1 3 272.369 3.189 20 0 CGADHM CCC(C)(C)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000265279059 190171455 /nfs/dbraw/zinc/17/14/55/190171455.db2.gz YUOWHEXYBMHOQY-UHFFFAOYSA-N -1 3 265.382 3.017 20 0 CGADHM Cc1ccc([O-])c(C(=O)N(C)CCCOc2ccccc2)c1 ZINC000514795757 249190031 /nfs/dbraw/zinc/19/00/31/249190031.db2.gz DRFBUJMERXFSEP-UHFFFAOYSA-N -1 3 299.370 3.242 20 0 CGADHM O=C([O-])CCC1CCN([C@H]2CCc3ccc(F)cc32)CC1 ZINC000514866130 249192835 /nfs/dbraw/zinc/19/28/35/249192835.db2.gz ARSPOTMDJWKQNX-INIZCTEOSA-N -1 3 291.366 3.390 20 0 CGADHM CCN(Cc1ccc(C(=O)[O-])c(Cl)c1)C1CC1 ZINC000515174627 249203772 /nfs/dbraw/zinc/20/37/72/249203772.db2.gz LYERPKGTCLBWIB-UHFFFAOYSA-N -1 3 253.729 3.023 20 0 CGADHM C[C@@H]1C[C@H](C)N1Cc1cccc([O-])c1Br ZINC000516852452 249246419 /nfs/dbraw/zinc/24/64/19/249246419.db2.gz GFQSECWDMSYLSV-DTORHVGOSA-N -1 3 270.170 3.137 20 0 CGADHM CCC[C@H](OC)c1noc(-c2cccc(CC)c2[O-])n1 ZINC000518317561 249278221 /nfs/dbraw/zinc/27/82/21/249278221.db2.gz BENSOSROPIBLSF-LBPRGKRZSA-N -1 3 276.336 3.492 20 0 CGADHM C[C@@H]1CCC[C@@H](C)C1NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000265666405 190198713 /nfs/dbraw/zinc/19/87/13/190198713.db2.gz QHCISIVETCCBMX-VXGBXAGGSA-N -1 3 298.386 3.495 20 0 CGADHM CCCC[C@@H](CCC)NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000573978780 377603599 /nfs/dbraw/zinc/60/35/99/377603599.db2.gz DPUVBDRKNDKBGR-GFCCVEGCSA-N -1 3 291.395 3.148 20 0 CGADHM C[C@H](c1ccco1)N(C)CCOc1ccccc1C(=O)[O-] ZINC000574697766 377696121 /nfs/dbraw/zinc/69/61/21/377696121.db2.gz OUYUZKGYNZYBBO-GFCCVEGCSA-N -1 3 289.331 3.050 20 0 CGADHM COc1cccc(C2=CCN(Cc3ncccc3[O-])CC2)c1 ZINC000574726102 377700517 /nfs/dbraw/zinc/70/05/17/377700517.db2.gz ULRKFXPWCVSZGS-UHFFFAOYSA-N -1 3 296.370 3.085 20 0 CGADHM CCC(CC)(CO)C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000574532514 377678107 /nfs/dbraw/zinc/67/81/07/377678107.db2.gz XPOPUXUULMADEP-UHFFFAOYSA-N -1 3 285.771 3.091 20 0 CGADHM O=C(/C=C\c1cncc(F)c1)Nc1ccc(Cl)cc1[O-] ZINC000255208293 377741829 /nfs/dbraw/zinc/74/18/29/377741829.db2.gz QRCFRGWVGUWDAX-RJRFIUFISA-N -1 3 292.697 3.232 20 0 CGADHM CCc1cc(C(=O)N2CCC[C@@H]3CCC[C@@H]32)ccc1[O-] ZINC000342752718 377773430 /nfs/dbraw/zinc/77/34/30/377773430.db2.gz LXHJNOKGHRUCAB-ZFWWWQNUSA-N -1 3 273.376 3.359 20 0 CGADHM CCN(CC1CCC1)C(=O)c1c[n-]c2ccc(C)cc2c1=O ZINC000342995370 377878952 /nfs/dbraw/zinc/87/89/52/377878952.db2.gz BCGLCXPYTVAXIL-UHFFFAOYSA-N -1 3 298.386 3.099 20 0 CGADHM C[C@H]1C[C@H](C(=O)[O-])CN(Cc2cccc(C(F)F)c2)C1 ZINC000263103651 377919440 /nfs/dbraw/zinc/91/94/40/377919440.db2.gz BEISJYMUSAYWFA-GWCFXTLKSA-N -1 3 283.318 3.167 20 0 CGADHM CC(C)Cc1ncc(CN2C[C@@H](C(=O)[O-])CC[C@H]2C)s1 ZINC000263311150 377926111 /nfs/dbraw/zinc/92/61/11/377926111.db2.gz HZCSKPUGAAKIKM-NEPJUHHUSA-N -1 3 296.436 3.027 20 0 CGADHM CCc1cc(N2CCC[C@H](C(=O)[O-])C2)c2ccccc2n1 ZINC000263383096 377930651 /nfs/dbraw/zinc/93/06/51/377930651.db2.gz DAMJXRXFWGJEOJ-LBPRGKRZSA-N -1 3 284.359 3.098 20 0 CGADHM CC(C)C[C@H](CNCc1sccc1Cl)C(=O)[O-] ZINC000263484041 377941147 /nfs/dbraw/zinc/94/11/47/377941147.db2.gz LWGJGBZZYCWGMF-SECBINFHSA-N -1 3 275.801 3.238 20 0 CGADHM Cc1cccc(NC(=O)c2cc(-c3ccco3)[n-]n2)c1F ZINC000343089090 377900077 /nfs/dbraw/zinc/90/00/77/377900077.db2.gz QNWBECNJTVRQAR-UHFFFAOYSA-N -1 3 285.278 3.370 20 0 CGADHM Cc1cccc(NC(=O)c2cc(-c3ccco3)n[n-]2)c1F ZINC000343089090 377900085 /nfs/dbraw/zinc/90/00/85/377900085.db2.gz QNWBECNJTVRQAR-UHFFFAOYSA-N -1 3 285.278 3.370 20 0 CGADHM COc1ccsc1C(=O)[N-]c1nc(C(C)(C)C)ns1 ZINC000264409347 377983031 /nfs/dbraw/zinc/98/30/31/377983031.db2.gz YHYDCDMKHLZQSX-UHFFFAOYSA-N -1 3 297.405 3.158 20 0 CGADHM COCc1nc(S[C@H](C)c2ncc(C(C)(C)C)o2)n[n-]1 ZINC000268516283 378069470 /nfs/dbraw/zinc/06/94/70/378069470.db2.gz YOOIXBITAPQUBR-MRVPVSSYSA-N -1 3 296.396 3.090 20 0 CGADHM O=C([O-])c1cnc2ccccc2c1N1CCCC2(CC2)C1 ZINC000579114388 378131282 /nfs/dbraw/zinc/13/12/82/378131282.db2.gz CAPPEJPAPHYANN-UHFFFAOYSA-N -1 3 282.343 3.313 20 0 CGADHM COc1ccc(O)c(NC(=O)c2cc([O-])ccc2Cl)c1 ZINC000343919195 378134218 /nfs/dbraw/zinc/13/42/18/378134218.db2.gz QRPJSOBMXVLNKB-UHFFFAOYSA-N -1 3 293.706 3.012 20 0 CGADHM CCc1ccc([O-])c(C(=O)N(C)Cc2occc2C)c1 ZINC000345067531 378186508 /nfs/dbraw/zinc/18/65/08/378186508.db2.gz OQQMIHRFYSVKKH-UHFFFAOYSA-N -1 3 273.332 3.128 20 0 CGADHM CCc1cc(C(=O)Nc2nc3c(s2)CCC3)ccc1[O-] ZINC000580024926 378216645 /nfs/dbraw/zinc/21/66/45/378216645.db2.gz LWRNHHVVEHTYMT-UHFFFAOYSA-N -1 3 288.372 3.152 20 0 CGADHM CC[C@H](C)N(C)Cc1oc(-c2ccccc2)nc1C(=O)[O-] ZINC000579603344 378175128 /nfs/dbraw/zinc/17/51/28/378175128.db2.gz RJEFKQQDQGTOAK-NSHDSACASA-N -1 3 288.347 3.270 20 0 CGADHM CC(C)(C)c1ccc(CC(=O)[N-]OCc2cccnc2)cc1 ZINC000269585923 378240470 /nfs/dbraw/zinc/24/04/70/378240470.db2.gz ZMUASGRASOJOBB-UHFFFAOYSA-N -1 3 298.386 3.170 20 0 CGADHM CC[C@@H](C)N(C)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000345598219 378320192 /nfs/dbraw/zinc/32/01/92/378320192.db2.gz LBQVZKWTUMCLOR-LLVKDONJSA-N -1 3 267.344 3.111 20 0 CGADHM CCOc1cc(C(=O)Nc2nc(C)ccc2[O-])ccc1C ZINC000345923381 378409019 /nfs/dbraw/zinc/40/90/19/378409019.db2.gz HDFGNTWRIDCXNP-UHFFFAOYSA-N -1 3 286.331 3.055 20 0 CGADHM Cc1ccc([O-])c(NC(=O)[C@H](C)OC2CCCCCC2)n1 ZINC000345940329 378415583 /nfs/dbraw/zinc/41/55/83/378415583.db2.gz MVAKJXARFCWDKM-LBPRGKRZSA-N -1 3 292.379 3.162 20 0 CGADHM CCC(CC)[C@@H](C)C(=O)Nc1nc(C)ccc1[O-] ZINC000345984723 378429720 /nfs/dbraw/zinc/42/97/20/378429720.db2.gz NDAQZCYAYNEMMF-SNVBAGLBSA-N -1 3 250.342 3.106 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2ccc(C)c(Cl)c2)n1 ZINC000345986345 378430594 /nfs/dbraw/zinc/43/05/94/378430594.db2.gz NWCHJCRVMDWPPC-UHFFFAOYSA-N -1 3 276.723 3.310 20 0 CGADHM CCSCC[C@@H](C)N(C)C(=O)c1ccc([O-])c(C)c1 ZINC000272418671 378633138 /nfs/dbraw/zinc/63/31/38/378633138.db2.gz JUJZPCSEJUDWEO-GFCCVEGCSA-N -1 3 281.421 3.304 20 0 CGADHM CC[C@H](NC(=O)c1ccc([O-])c(C)c1)c1nc(C)cs1 ZINC000272482611 378647847 /nfs/dbraw/zinc/64/78/47/378647847.db2.gz QTWHRGVLHWLVPT-LBPRGKRZSA-N -1 3 290.388 3.347 20 0 CGADHM [O-]C(=NOC1CCCC1)Nc1cccc(-c2cc[nH]n2)c1 ZINC000274425240 378830593 /nfs/dbraw/zinc/83/05/93/378830593.db2.gz HBYHYYFUERMOPY-UHFFFAOYSA-N -1 3 286.335 3.072 20 0 CGADHM O=C([N-]OC1CCCC1)Nc1cccc(-c2cc[nH]n2)c1 ZINC000274425240 378830599 /nfs/dbraw/zinc/83/05/99/378830599.db2.gz HBYHYYFUERMOPY-UHFFFAOYSA-N -1 3 286.335 3.072 20 0 CGADHM Cc1ncc(CN[C@H](CC(C)C)c2ccccc2)c(=O)[n-]1 ZINC000346796779 218016478 /nfs/dbraw/zinc/01/64/78/218016478.db2.gz NZOHUIJAKIIPDI-MRXNPFEDSA-N -1 3 285.391 3.368 20 0 CGADHM Cc1ncc(CN[C@H](C)c2cccc3ccccc32)c(=O)[n-]1 ZINC000346807110 218020140 /nfs/dbraw/zinc/02/01/40/218020140.db2.gz LVGKGIGPYBVICC-GFCCVEGCSA-N -1 3 293.370 3.495 20 0 CGADHM CC(C)(C)C(=O)C(=O)Nc1cccc(C(C)(C)C)c1[O-] ZINC000274802725 378898037 /nfs/dbraw/zinc/89/80/37/378898037.db2.gz KREJSTCPUIHJKW-UHFFFAOYSA-N -1 3 277.364 3.243 20 0 CGADHM C[C@H](CCC(C)(C)C)C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000348577897 378997651 /nfs/dbraw/zinc/99/76/51/378997651.db2.gz SHCFQZVVCBZKEA-SSDOTTSWSA-N -1 3 292.305 3.224 20 0 CGADHM C[C@H](CCC(C)(C)C)C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000348577897 378997654 /nfs/dbraw/zinc/99/76/54/378997654.db2.gz SHCFQZVVCBZKEA-SSDOTTSWSA-N -1 3 292.305 3.224 20 0 CGADHM CCOc1ccc(CNCc2ccccc2CC(=O)[O-])cc1 ZINC000276990108 379038989 /nfs/dbraw/zinc/03/89/89/379038989.db2.gz JRZNGWPINJEVGJ-UHFFFAOYSA-N -1 3 299.370 3.002 20 0 CGADHM CCC[C@@H]1CCCN(C(=O)c2ccc([O-])c(OC)c2)C1 ZINC000276986644 379039686 /nfs/dbraw/zinc/03/96/86/379039686.db2.gz WRPIUULMRZBFPN-GFCCVEGCSA-N -1 3 277.364 3.053 20 0 CGADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]CC(C)(C)C ZINC000348826652 379067664 /nfs/dbraw/zinc/06/76/64/379067664.db2.gz FMHMDLCDTCPQNH-UHFFFAOYSA-N -1 3 299.367 3.205 20 0 CGADHM CC1(C)[C@@H]2CN(Cc3ccc(C(=O)[O-])c(Cl)c3)C[C@@H]21 ZINC000568771711 322222299 /nfs/dbraw/zinc/22/22/99/322222299.db2.gz BXJRMHWZPXNISR-TXEJJXNPSA-N -1 3 279.767 3.126 20 0 CGADHM CCOc1cc(CNC2(CF)CCC2)cc(Cl)c1[O-] ZINC000568884717 322226209 /nfs/dbraw/zinc/22/62/09/322226209.db2.gz YUSNSBLGFYULIC-UHFFFAOYSA-N -1 3 287.762 3.426 20 0 CGADHM O=C(c1cc([O-])ccc1C(F)(F)F)N1CCCCC1 ZINC000279729068 379502810 /nfs/dbraw/zinc/50/28/10/379502810.db2.gz VTCATZHGJUJACH-UHFFFAOYSA-N -1 3 273.254 3.037 20 0 CGADHM COc1ccccc1OCc1nc(-c2ccc([O-])cc2)no1 ZINC000350576761 379564572 /nfs/dbraw/zinc/56/45/72/379564572.db2.gz ILZVGVBMJZKAHH-UHFFFAOYSA-N -1 3 298.298 3.030 20 0 CGADHM [O-]c1ccc(-c2noc(CSCc3cccnc3)n2)cc1 ZINC000350571938 379564586 /nfs/dbraw/zinc/56/45/86/379564586.db2.gz DJZPSWMWYVKJRU-UHFFFAOYSA-N -1 3 299.355 3.271 20 0 CGADHM COCc1ccsc1-c1nc(-c2ccc([O-])cc2)no1 ZINC000350570356 379564754 /nfs/dbraw/zinc/56/47/54/379564754.db2.gz VAZMRZPZEYSQEI-UHFFFAOYSA-N -1 3 288.328 3.317 20 0 CGADHM C[C@@H]([N-]C(=O)C(F)F)c1cc(Cl)ccc1Cl ZINC000280159978 379625364 /nfs/dbraw/zinc/62/53/64/379625364.db2.gz ICGNGIYWLLTGLI-RXMQYKEDSA-N -1 3 268.090 3.436 20 0 CGADHM Cc1ccc([O-])c(NC(=O)CC(C)(C)C(F)(F)F)n1 ZINC000280247871 379655460 /nfs/dbraw/zinc/65/54/60/379655460.db2.gz MZNNAAMQDHXIDL-UHFFFAOYSA-N -1 3 276.258 3.013 20 0 CGADHM O=C(CC1CC1)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000267245058 190314780 /nfs/dbraw/zinc/31/47/80/190314780.db2.gz SUTSFELRJUPJML-UHFFFAOYSA-N -1 3 259.227 3.150 20 0 CGADHM CSCCON=C([O-])Nc1cccc(Cl)c1C ZINC000280562278 379732313 /nfs/dbraw/zinc/73/23/13/379732313.db2.gz QKYXJAYNKUTHJW-UHFFFAOYSA-N -1 3 274.773 3.065 20 0 CGADHM CSCCO[N-]C(=O)Nc1cccc(Cl)c1C ZINC000280562278 379732320 /nfs/dbraw/zinc/73/23/20/379732320.db2.gz QKYXJAYNKUTHJW-UHFFFAOYSA-N -1 3 274.773 3.065 20 0 CGADHM CC[C@@H](Oc1ccccc1C)C(=O)[N-]c1onc(C)c1C ZINC000267362743 190323785 /nfs/dbraw/zinc/32/37/85/190323785.db2.gz RMWNWZHZXHAERB-CYBMUJFWSA-N -1 3 288.347 3.396 20 0 CGADHM CSCCON=C([O-])Nc1ccc(C(F)(F)F)cc1 ZINC000280467446 379711635 /nfs/dbraw/zinc/71/16/35/379711635.db2.gz HXTXEHJIPSQMBQ-UHFFFAOYSA-N -1 3 294.298 3.122 20 0 CGADHM CSCCO[N-]C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000280467446 379711640 /nfs/dbraw/zinc/71/16/40/379711640.db2.gz HXTXEHJIPSQMBQ-UHFFFAOYSA-N -1 3 294.298 3.122 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)S[C@@H](C)C(=O)OC(C)(C)C)n1 ZINC000280845882 379805699 /nfs/dbraw/zinc/80/56/99/379805699.db2.gz BCPWUCRWCLZRTL-ZJUUUORDSA-N -1 3 298.408 3.015 20 0 CGADHM Cc1ccc(C(=O)N2CC(C)(C)[C@H]3CCC[C@@H]32)c([O-])c1 ZINC000378845101 379859135 /nfs/dbraw/zinc/85/91/35/379859135.db2.gz RFLPSZZKSBUZFC-KBPBESRZSA-N -1 3 273.376 3.351 20 0 CGADHM Cc1cc(OC(F)F)c(C(=O)[N-]c2conc2C)s1 ZINC000640486767 379811253 /nfs/dbraw/zinc/81/12/53/379811253.db2.gz TXIITDMFTLFZHD-UHFFFAOYSA-N -1 3 288.275 3.207 20 0 CGADHM CCC(CC)(CC)CNC(=O)c1c([O-])cccc1O ZINC000391366890 379909225 /nfs/dbraw/zinc/90/92/25/379909225.db2.gz QWDBZDFUDWMXLF-UHFFFAOYSA-N -1 3 265.353 3.044 20 0 CGADHM O=C(Nc1csc2ccccc12)c1ccc2n[n-]nc2c1 ZINC000352719119 379923644 /nfs/dbraw/zinc/92/36/44/379923644.db2.gz ZBOFHHUUMKKFLG-UHFFFAOYSA-N -1 3 294.339 3.425 20 0 CGADHM CC(C)C[C@@H]1C[C@H]1C(=O)N1CCCc2cccc([O-])c21 ZINC000388014267 379880748 /nfs/dbraw/zinc/88/07/48/379880748.db2.gz NXFQWVXBHCUEGO-ZIAGYGMSSA-N -1 3 273.376 3.354 20 0 CGADHM Cc1cc(C)n([C@@H](C)CC(=O)Nc2c(C)cccc2[O-])n1 ZINC000352653169 379895042 /nfs/dbraw/zinc/89/50/42/379895042.db2.gz RQPNRVCSAVLENX-ZDUSSCGKSA-N -1 3 287.363 3.104 20 0 CGADHM Cc1ccc(NC(=O)[C@@H](C)CC(F)(F)F)c([O-])c1 ZINC000402514039 379967919 /nfs/dbraw/zinc/96/79/19/379967919.db2.gz JZHRKDDQGLCTSR-QMMMGPOBSA-N -1 3 261.243 3.228 20 0 CGADHM CC[C@@H](CC(F)(F)F)C(=O)Nc1ccc([O-])cc1F ZINC000402610601 379970390 /nfs/dbraw/zinc/97/03/90/379970390.db2.gz GKEHTZMMNQDJRB-ZETCQYMHSA-N -1 3 279.233 3.448 20 0 CGADHM Cc1csc(CCCC(=O)Nc2ccccc2[O-])n1 ZINC000282986060 380020046 /nfs/dbraw/zinc/02/00/46/380020046.db2.gz JMXJILFRWHXSER-UHFFFAOYSA-N -1 3 276.361 3.119 20 0 CGADHM COc1ccc2cc(C(=O)Nc3ccc(C)cc3[O-])[nH]c2c1 ZINC000642345731 380167010 /nfs/dbraw/zinc/16/70/10/380167010.db2.gz JBXRIQUWOKWKTQ-UHFFFAOYSA-N -1 3 296.326 3.443 20 0 CGADHM Cc1cccc(C)c1OCCOc1ccc2c([O-])coc2c1 ZINC000642608499 380179724 /nfs/dbraw/zinc/17/97/24/380179724.db2.gz CXJMYHZGYXFQNW-UHFFFAOYSA-N -1 3 298.338 3.336 20 0 CGADHM COCCN(Cc1c(F)ccc([O-])c1F)[C@H]1CC[C@@H](C)C1 ZINC000353171302 380154062 /nfs/dbraw/zinc/15/40/62/380154062.db2.gz IAHSOZCVLANQPR-NEPJUHHUSA-N -1 3 299.361 3.307 20 0 CGADHM O=C(Nc1n[n-]c(-c2ccccc2F)n1)C1=CCCCC1 ZINC000354014014 380278166 /nfs/dbraw/zinc/27/81/66/380278166.db2.gz JWHGETWZPJQAPJ-UHFFFAOYSA-N -1 3 286.310 3.050 20 0 CGADHM [O-]c1cccc(CN[C@@H]2CCCC[C@H]2F)c1Cl ZINC000414511705 380287003 /nfs/dbraw/zinc/28/70/03/380287003.db2.gz LLZHMCBTRMLMIM-GHMZBOCLSA-N -1 3 257.736 3.416 20 0 CGADHM CC(=O)[C@H]1C[C@H](CC(=O)Nc2c(C)cccc2[O-])C1(C)C ZINC000354162727 380349419 /nfs/dbraw/zinc/34/94/19/380349419.db2.gz WSJCFDVTYIIGHC-CHWSQXEVSA-N -1 3 289.375 3.281 20 0 CGADHM CCc1cc(C(=O)NCc2ccc(Cl)o2)ccc1[O-] ZINC000643936184 380399518 /nfs/dbraw/zinc/39/95/18/380399518.db2.gz MRQAJBPVCMLBNZ-UHFFFAOYSA-N -1 3 279.723 3.131 20 0 CGADHM CC(C)Oc1ccccc1NCc1cc(=O)[n-]c(C2CC2)n1 ZINC000417007839 380560711 /nfs/dbraw/zinc/56/07/11/380560711.db2.gz LIIXQHMISWWNMX-UHFFFAOYSA-N -1 3 299.374 3.459 20 0 CGADHM O=c1cc(CNc2c(F)cc(F)cc2F)nc(C2CC2)[n-]1 ZINC000417013477 380560919 /nfs/dbraw/zinc/56/09/19/380560919.db2.gz CKPJIUAGZABKEY-UHFFFAOYSA-N -1 3 295.264 3.089 20 0 CGADHM CCc1nc(CN[C@@H]2CCCCCC[C@H]2C(=O)[O-])cs1 ZINC000417557776 380638350 /nfs/dbraw/zinc/63/83/50/380638350.db2.gz CNWVZSFEWKXFJP-CHWSQXEVSA-N -1 3 296.436 3.219 20 0 CGADHM CCC[C@@H](C)C[C@@H](NCc1ccc(Cl)o1)C(=O)[O-] ZINC000417571718 380641320 /nfs/dbraw/zinc/64/13/20/380641320.db2.gz XWUFIODGNXWQCG-MWLCHTKSSA-N -1 3 273.760 3.302 20 0 CGADHM Cc1ncsc1CN[C@@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000417570350 380641421 /nfs/dbraw/zinc/64/14/21/380641421.db2.gz WGAFRPAIDPJCDX-IINYFYTJSA-N -1 3 290.388 3.003 20 0 CGADHM COc1ccc(F)c(CN[C@@H](CC(=O)[O-])CC(C)(C)C)c1 ZINC000417578006 380643244 /nfs/dbraw/zinc/64/32/44/380643244.db2.gz KFUGWIOKIFHUKV-LBPRGKRZSA-N -1 3 297.370 3.203 20 0 CGADHM C[C@@H](OC(C)(C)C)[C@H](NCc1cccc(Cl)c1)C(=O)[O-] ZINC000417590760 380644553 /nfs/dbraw/zinc/64/45/53/380644553.db2.gz WLSQWVAUYVYWKO-MFKMUULPSA-N -1 3 299.798 3.086 20 0 CGADHM COc1cc(-c2ccccc2)ccc1CNC[C@H](C)C(=O)[O-] ZINC000417586168 380644927 /nfs/dbraw/zinc/64/49/27/380644927.db2.gz QJFXYMDKMZUOTR-ZDUSSCGKSA-N -1 3 299.370 3.173 20 0 CGADHM [O-]c1cccc(CN[C@H](CCO)C2CCCCC2)c1Cl ZINC000645171196 380603508 /nfs/dbraw/zinc/60/35/08/380603508.db2.gz DGFUEJRIIGYZMN-CQSZACIVSA-N -1 3 297.826 3.467 20 0 CGADHM CCc1nc(CN[C@H](CC(=O)[O-])CC(C)(C)C)cs1 ZINC000417595988 380646846 /nfs/dbraw/zinc/64/68/46/380646846.db2.gz ZDMFUZRURFTFOD-SNVBAGLBSA-N -1 3 284.425 3.075 20 0 CGADHM CC(C)c1ccc(CN[C@@H](COC(C)(C)C)C(=O)[O-])cc1 ZINC000417602829 380647112 /nfs/dbraw/zinc/64/71/12/380647112.db2.gz WSNBZIHURGPEQL-HNNXBMFYSA-N -1 3 293.407 3.168 20 0 CGADHM O=C([O-])[C@@H]1C[C@@H](NCc2cccs2)c2ccccc21 ZINC000417611083 380649991 /nfs/dbraw/zinc/64/99/91/380649991.db2.gz AIAWYASDFCWIOA-ZIAGYGMSSA-N -1 3 273.357 3.151 20 0 CGADHM COc1cccc(CN[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)c1 ZINC000417624129 380656658 /nfs/dbraw/zinc/65/66/58/380656658.db2.gz PZQOOMFOGJZJKL-IAGOWNOFSA-N -1 3 297.354 3.098 20 0 CGADHM O=C([O-])[C@H]1C=C[C@@H](NCc2c(Cl)oc3ccccc32)C1 ZINC000417626907 380656809 /nfs/dbraw/zinc/65/68/09/380656809.db2.gz UEXOWFLTAFNUHG-VHSXEESVSA-N -1 3 291.734 3.205 20 0 CGADHM CC[C@@H](CCC(=O)[O-])NCc1ccsc1Cl ZINC000417629376 380658388 /nfs/dbraw/zinc/65/83/88/380658388.db2.gz VMBHMSDDXRULKY-VIFPVBQESA-N -1 3 261.774 3.135 20 0 CGADHM C[C@@H]1C[C@@H](C)[C@@H](C)N(C(=O)c2c[n-]c3ccccc3c2=O)C1 ZINC000357012565 380988427 /nfs/dbraw/zinc/98/84/27/380988427.db2.gz KHRWNBUUQWRRIZ-JHJVBQTASA-N -1 3 298.386 3.035 20 0 CGADHM CC[C@@H](NC(=O)Cc1ccc([O-])cc1Cl)C(C)C ZINC000357351272 381120352 /nfs/dbraw/zinc/12/03/52/381120352.db2.gz XKEGUUKLTQIMSY-CYBMUJFWSA-N -1 3 269.772 3.139 20 0 CGADHM CCCOc1cccc(CNCc2cccc(C(=O)[O-])c2)c1 ZINC000213493308 542284936 /nfs/dbraw/zinc/28/49/36/542284936.db2.gz ODRMMPORTURWCY-UHFFFAOYSA-N -1 3 299.370 3.463 20 0 CGADHM CCc1cc(=O)[n-]c(CN2CCC[C@@H](C(C)(C)C)C2)n1 ZINC000361541846 381792817 /nfs/dbraw/zinc/79/28/17/381792817.db2.gz UAVCGEWSMKGGMO-GFCCVEGCSA-N -1 3 277.412 3.003 20 0 CGADHM CCN(Cc1nc(=O)c2sccc2[n-]1)CC1CCC1 ZINC000361482345 381766155 /nfs/dbraw/zinc/76/61/55/381766155.db2.gz WZABPYPQABVNFR-UHFFFAOYSA-N -1 3 277.393 3.019 20 0 CGADHM [O-]c1cccc(CN2CCC[C@H]([C@@H]3CCOC3)C2)c1Cl ZINC000334931481 207312444 /nfs/dbraw/zinc/31/24/44/207312444.db2.gz YUFMTTIOPJFSMK-GXTWGEPZSA-N -1 3 295.810 3.294 20 0 CGADHM CCc1cc(C(=O)Nc2ccc3nc(C)cn3c2)ccc1[O-] ZINC000362691240 382099653 /nfs/dbraw/zinc/09/96/53/382099653.db2.gz IBLPVHLZACBRLS-UHFFFAOYSA-N -1 3 295.342 3.163 20 0 CGADHM CCc1cc(C(=O)N2C[C@@H](C)CC[C@H]2C)ccc1[O-] ZINC000362866748 382133688 /nfs/dbraw/zinc/13/36/88/382133688.db2.gz HASWHFPFCDVDFT-NWDGAFQWSA-N -1 3 261.365 3.215 20 0 CGADHM CC(C)C[C@H](N[C@@H](C)c1cccc(F)c1F)C(=O)[O-] ZINC000232622633 542306642 /nfs/dbraw/zinc/30/66/42/542306642.db2.gz FIFDZZDZDYEZBA-CABZTGNLSA-N -1 3 271.307 3.115 20 0 CGADHM C[C@H]1CCCN([C@@H](C(=O)[O-])c2c(F)cccc2Cl)C1 ZINC000252114137 542348642 /nfs/dbraw/zinc/34/86/42/542348642.db2.gz IFPFKLVLOLLATI-TVQRCGJNSA-N -1 3 285.746 3.337 20 0 CGADHM O=C(N[C@H]1CCc2ccccc21)c1cc([O-])ccc1Cl ZINC000335325561 208195549 /nfs/dbraw/zinc/19/55/49/208195549.db2.gz XBBSGIJLRPGDOE-HNNXBMFYSA-N -1 3 287.746 3.463 20 0 CGADHM CC1(CC(=O)NCc2ccc([O-])c(F)c2)CCCC1 ZINC000289319133 197295416 /nfs/dbraw/zinc/29/54/16/197295416.db2.gz FNOCFKJUKLRFCN-UHFFFAOYSA-N -1 3 265.328 3.118 20 0 CGADHM CC[C@]1(C)CN(C(=O)c2cc([O-])c3ccccc3c2)CCO1 ZINC000281160093 542383704 /nfs/dbraw/zinc/38/37/04/542383704.db2.gz IXSLDFSZXFEENU-GOSISDBHSA-N -1 3 299.370 3.187 20 0 CGADHM Cc1occc1-c1noc(-c2cc(-c3ccco3)n[n-]2)n1 ZINC000350422765 219016860 /nfs/dbraw/zinc/01/68/60/219016860.db2.gz NOMIOSDOOWWFFU-UHFFFAOYSA-N -1 3 282.259 3.288 20 0 CGADHM Cc1occc1-c1noc(-c2cc(-c3ccco3)[n-]n2)n1 ZINC000350422765 219016862 /nfs/dbraw/zinc/01/68/62/219016862.db2.gz NOMIOSDOOWWFFU-UHFFFAOYSA-N -1 3 282.259 3.288 20 0 CGADHM CCCc1nc(-c2noc(-c3cccc(C)c3[O-])n2)co1 ZINC000289241434 197272679 /nfs/dbraw/zinc/27/26/79/197272679.db2.gz XMNKHELXQPNEGP-UHFFFAOYSA-N -1 3 285.303 3.358 20 0 CGADHM O=C([O-])c1cccc(CN[C@H]2CCO[C@H]2c2ccccc2)c1 ZINC000263435777 304260412 /nfs/dbraw/zinc/26/04/12/304260412.db2.gz UNYORQDVUOPTAJ-IRXDYDNUSA-N -1 3 297.354 3.005 20 0 CGADHM O=c1[n-]c(-c2cncs2)nc2cc(Cl)c(Cl)cc12 ZINC000362336795 285225667 /nfs/dbraw/zinc/22/56/67/285225667.db2.gz XRODWTNPXWMRJE-UHFFFAOYSA-N -1 3 298.154 3.353 20 0 CGADHM O=c1[n-]c(-c2ccc(Cl)o2)nc2cc(Cl)ccc12 ZINC000507035425 285224729 /nfs/dbraw/zinc/22/47/29/285224729.db2.gz LYNBSNDCGGTQEO-UHFFFAOYSA-N -1 3 281.098 3.490 20 0 CGADHM Cc1ccc(CNCC[C@@H](C)CC(=O)[O-])c(Cl)c1 ZINC000320239937 542439775 /nfs/dbraw/zinc/43/97/75/542439775.db2.gz AQIIBMWMBGWEII-LLVKDONJSA-N -1 3 269.772 3.239 20 0 CGADHM CN(CC(F)(F)F)C(=O)c1cc([O-])c2ccccc2c1 ZINC000335352716 542467322 /nfs/dbraw/zinc/46/73/22/542467322.db2.gz YGXIZAFZBNGPLM-UHFFFAOYSA-N -1 3 283.249 3.180 20 0 CGADHM CC[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000533693638 288391574 /nfs/dbraw/zinc/39/15/74/288391574.db2.gz JTAQVYMDCBKGEN-BDAKNGLRSA-N -1 3 293.791 3.192 20 0 CGADHM Cc1ncc(CNC(=O)c2cc([O-])c3ccccc3c2)s1 ZINC000339390329 542489131 /nfs/dbraw/zinc/48/91/31/542489131.db2.gz ARHXDVDWKPTDCD-UHFFFAOYSA-N -1 3 298.367 3.240 20 0 CGADHM O=C(/C=C/c1cncc(F)c1)Nc1ccc(Cl)cc1[O-] ZINC000179636432 260061068 /nfs/dbraw/zinc/06/10/68/260061068.db2.gz QRCFRGWVGUWDAX-DAFODLJHSA-N -1 3 292.697 3.232 20 0 CGADHM CC(C)(O)CC(=O)Nc1cc(Cc2ccccc2)ccc1[O-] ZINC000281536627 195279265 /nfs/dbraw/zinc/27/92/65/195279265.db2.gz KEJNQLRZAXQAAK-UHFFFAOYSA-N -1 3 299.370 3.083 20 0 CGADHM COc1cccc(C(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)c1[O-] ZINC000436563586 533416165 /nfs/dbraw/zinc/41/61/65/533416165.db2.gz HTAYNQMWDCEOEF-RWMBFGLXSA-N -1 3 289.375 3.099 20 0 CGADHM C[C@@H](CCC(=O)[O-])CNCc1cc(Cl)ccc1F ZINC000426641906 533515749 /nfs/dbraw/zinc/51/57/49/533515749.db2.gz CPGPBTOGYVOICD-VIFPVBQESA-N -1 3 273.735 3.070 20 0 CGADHM Cc1ccc(C(=O)N[C@H]2C[C@@H]2Cc2ccccc2)c([O-])c1C ZINC000439955135 533602153 /nfs/dbraw/zinc/60/21/53/533602153.db2.gz BBMOQWPOGMNFKI-RDJZCZTQSA-N -1 3 295.382 3.370 20 0 CGADHM Cc1ccc(C(=O)N[C@H]2CC(C)(C)OC2(C)C)c([O-])c1C ZINC000436889205 533593535 /nfs/dbraw/zinc/59/35/35/533593535.db2.gz QIALPCCBHQXPCM-ZDUSSCGKSA-N -1 3 291.391 3.085 20 0 CGADHM Cc1ccc(C(=O)N[C@H]2CCc3ccccc32)c([O-])c1C ZINC000436688646 533600394 /nfs/dbraw/zinc/60/03/94/533600394.db2.gz MBIMIJRKRYORLB-INIZCTEOSA-N -1 3 281.355 3.426 20 0 CGADHM Cc1ccc(C(=O)Nc2ccc(CN(C)C)cc2)c([O-])c1 ZINC000436757579 533608243 /nfs/dbraw/zinc/60/82/43/533608243.db2.gz JBZGJMZFXTYRTL-UHFFFAOYSA-N -1 3 284.359 3.015 20 0 CGADHM C[C@H]1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000436633125 533624553 /nfs/dbraw/zinc/62/45/53/533624553.db2.gz IUXPNDGCUBSXHC-AWEZNQCLSA-N -1 3 295.382 3.465 20 0 CGADHM C[C@@H]1CCC[C@H](C)N1C(=O)c1cc([O-])ccc1Cl ZINC000235621612 296464974 /nfs/dbraw/zinc/46/49/74/296464974.db2.gz XXYBIPMJHGJTAV-AOOOYVTPSA-N -1 3 267.756 3.449 20 0 CGADHM CC(=O)c1ccc(C(=O)N(CCC(C)C)C2CC2)cc1[O-] ZINC000412187431 542631277 /nfs/dbraw/zinc/63/12/77/542631277.db2.gz BYGLPPYXOGFVHJ-UHFFFAOYSA-N -1 3 289.375 3.246 20 0 CGADHM COC1([C@H](C)NC(=O)c2cc([O-])c3ccccc3c2)CCC1 ZINC000412768207 542632250 /nfs/dbraw/zinc/63/22/50/542632250.db2.gz SABVIJHTASOPGN-LBPRGKRZSA-N -1 3 299.370 3.233 20 0 CGADHM CCc1nc(NC(=O)c2ccc(C)cc2[O-])sc1C ZINC000048193399 391995022 /nfs/dbraw/zinc/99/50/22/391995022.db2.gz WTRRDYTVFBTUDQ-UHFFFAOYSA-N -1 3 276.361 3.280 20 0 CGADHM COc1ccc2nc(-c3ccc(F)c(C)c3)[n-]c(=O)c2c1 ZINC000063580820 392137953 /nfs/dbraw/zinc/13/79/53/392137953.db2.gz MYHZCAHPVALUFK-UHFFFAOYSA-N -1 3 284.290 3.046 20 0 CGADHM Cc1ccc(C(=O)N2CCCc3ccccc3C2)c([O-])c1 ZINC000062946115 392134764 /nfs/dbraw/zinc/13/47/64/392134764.db2.gz YIAHYMDOUJCFBO-UHFFFAOYSA-N -1 3 281.355 3.289 20 0 CGADHM CCC[C@@]1(C)CCCN(C(=O)c2c([O-])cccc2O)C1 ZINC000092123586 392231234 /nfs/dbraw/zinc/23/12/34/392231234.db2.gz ULCIWXIEHWIFBL-INIZCTEOSA-N -1 3 277.364 3.140 20 0 CGADHM COc1ccc(NC(=O)Cc2ccccc2Cl)c([O-])c1 ZINC000443556252 542666848 /nfs/dbraw/zinc/66/68/48/542666848.db2.gz DOTNVAJVLXPIPT-UHFFFAOYSA-N -1 3 291.734 3.235 20 0 CGADHM COc1ccc(NC(=O)c2ccc(C)c(C)c2)c([O-])c1 ZINC000443580381 542667634 /nfs/dbraw/zinc/66/76/34/542667634.db2.gz VPAREDUUDICFRD-UHFFFAOYSA-N -1 3 271.316 3.270 20 0 CGADHM CCC(CC)CNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000468918852 542699712 /nfs/dbraw/zinc/69/97/12/542699712.db2.gz LEDWARQDRSSBFP-UHFFFAOYSA-N -1 3 281.371 3.406 20 0 CGADHM CC(C)c1ccc(S(=O)(=O)[N-][C@@H](C)C(F)(F)F)cc1 ZINC000288256365 392407125 /nfs/dbraw/zinc/40/71/25/392407125.db2.gz CARLMYJOZSANGH-VIFPVBQESA-N -1 3 295.326 3.039 20 0 CGADHM O=[S@@](CCCC1CCCC1)c1ccc([O-])cc1 ZINC000153682457 392526410 /nfs/dbraw/zinc/52/64/10/392526410.db2.gz RBDNAIZJECUCNA-QGZVFWFLSA-N -1 3 252.379 3.470 20 0 CGADHM Cc1cc([C@H]2CCCN2Cc2cc([O-])cc(F)c2)no1 ZINC000372223576 392593938 /nfs/dbraw/zinc/59/39/38/392593938.db2.gz SMFBNDOFKHDRAG-OAHLLOKOSA-N -1 3 276.311 3.165 20 0 CGADHM CCC(C)(C)OCC(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000457761278 392758126 /nfs/dbraw/zinc/75/81/26/392758126.db2.gz ZVRIQPXRZHNSNU-LBPRGKRZSA-N -1 3 291.391 3.438 20 0 CGADHM O=C([O-])[C@@H]1CCCC[C@@H]1NCc1cccc(Cl)c1F ZINC000647651740 392778311 /nfs/dbraw/zinc/77/83/11/392778311.db2.gz DNRMZLAHKHTMLF-PWSUYJOCSA-N -1 3 285.746 3.212 20 0 CGADHM Cc1cc(CN2CC[C@H](C)[C@@H](C(=O)[O-])C2)ccc1Cl ZINC000335444710 392794058 /nfs/dbraw/zinc/79/40/58/392794058.db2.gz SFCJIJMKAIDOTJ-GWCFXTLKSA-N -1 3 281.783 3.191 20 0 CGADHM [O-]c1cccc(CNC[C@@H]2Cc3ccccc32)c1Cl ZINC000381412898 392907542 /nfs/dbraw/zinc/90/75/42/392907542.db2.gz QPFWNSIGLAXCGK-ZDUSSCGKSA-N -1 3 273.763 3.475 20 0 CGADHM Cc1ccccc1C[C@H](C)N(C)Cc1ccc(C(=O)[O-])o1 ZINC000516872681 542736308 /nfs/dbraw/zinc/73/63/08/542736308.db2.gz KRXDTTFNKCKELN-ZDUSSCGKSA-N -1 3 287.359 3.349 20 0 CGADHM Cc1cccc(C(=O)NCCc2ccc(Cl)s2)c1[O-] ZINC000195627713 392971947 /nfs/dbraw/zinc/97/19/47/392971947.db2.gz JTKVAYAPEXQHFB-UHFFFAOYSA-N -1 3 295.791 3.388 20 0 CGADHM Cc1cnccc1NC(=O)c1cc([O-])ccc1Cl ZINC000235821768 393029165 /nfs/dbraw/zinc/02/91/65/393029165.db2.gz HLCMPJHFYKVHDE-UHFFFAOYSA-N -1 3 262.696 3.001 20 0 CGADHM CCc1cc(=O)[n-]c(CN(C)[C@@H](CC)Cc2ccccc2)n1 ZINC000468279405 393133966 /nfs/dbraw/zinc/13/39/66/393133966.db2.gz XVLBTUDLIMXHAG-INIZCTEOSA-N -1 3 299.418 3.198 20 0 CGADHM COc1cccc2c(C(=O)Nc3cscc3C)[n-]nc21 ZINC000349112674 393137480 /nfs/dbraw/zinc/13/74/80/393137480.db2.gz WRFCBUTWQUVYDP-UHFFFAOYSA-N -1 3 287.344 3.194 20 0 CGADHM COc1cccc2c(C(=O)Nc3cscc3C)n[n-]c21 ZINC000349112674 393137487 /nfs/dbraw/zinc/13/74/87/393137487.db2.gz WRFCBUTWQUVYDP-UHFFFAOYSA-N -1 3 287.344 3.194 20 0 CGADHM Cc1c(CSC(C)C)cccc1NC(=O)c1nc[n-]n1 ZINC000269573920 393228863 /nfs/dbraw/zinc/22/88/63/393228863.db2.gz OFLUMQCDLZPWQX-UHFFFAOYSA-N -1 3 290.392 3.007 20 0 CGADHM C[C@@H]1CN(Cc2cc([O-])cc(C(F)(F)F)c2)[C@H]1C ZINC000646252547 393247414 /nfs/dbraw/zinc/24/74/14/393247414.db2.gz NJQDTJMJWSNNHB-BDAKNGLRSA-N -1 3 259.271 3.251 20 0 CGADHM Cc1cccc(C(=O)N2CC[C@@H](C)c3cccc([O-])c32)n1 ZINC000274359426 393285315 /nfs/dbraw/zinc/28/53/15/393285315.db2.gz KNUZVKMLUDGCPM-LLVKDONJSA-N -1 3 282.343 3.250 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-]CC(C)(C)C2=CCCC2)o1 ZINC000416504813 393313012 /nfs/dbraw/zinc/31/30/12/393313012.db2.gz YIIYJJJDFVNXKJ-UHFFFAOYSA-N -1 3 283.393 3.003 20 0 CGADHM O=C(N[C@@H](C1CCC1)C1CCCC1)c1ccc2n[n-]nc2c1 ZINC000649007083 393316403 /nfs/dbraw/zinc/31/64/03/393316403.db2.gz YOGZDNWIBZVJNW-MRXNPFEDSA-N -1 3 298.390 3.047 20 0 CGADHM CC(C)N(Cc1cccc(F)c1)C(=O)c1csc(=O)[n-]1 ZINC000471862817 393317377 /nfs/dbraw/zinc/31/73/77/393317377.db2.gz UAZYHTPICIULSA-UHFFFAOYSA-N -1 3 294.351 3.039 20 0 CGADHM CC[C@@H](C)[C@@H](NC(=O)c1cccc([O-])c1)C(F)(F)F ZINC000278261486 393317536 /nfs/dbraw/zinc/31/75/36/393317536.db2.gz YEBQBMXFYLPOCX-LDYMZIIASA-N -1 3 275.270 3.099 20 0 CGADHM CC(C)(C)[C@H]1CCCN(C(=O)Cc2cncc([O-])c2)CC1 ZINC000646822390 393325558 /nfs/dbraw/zinc/32/55/58/393325558.db2.gz ZJDYVHLGUWVINH-AWEZNQCLSA-N -1 3 290.407 3.005 20 0 CGADHM CCCC[C@@H](CCC)CNC(=O)NCc1ncccc1[O-] ZINC000472061630 393329551 /nfs/dbraw/zinc/32/95/51/393329551.db2.gz DHECARFLNBUWJZ-CYBMUJFWSA-N -1 3 293.411 3.193 20 0 CGADHM CO[C@@H](CC(C)C)C(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000416205069 393279592 /nfs/dbraw/zinc/27/95/92/393279592.db2.gz REMUMEAPAFNFAL-DOMZBBRYSA-N -1 3 291.391 3.294 20 0 CGADHM CC[C@@H]1CCCC[C@H]1C(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000280486258 393342077 /nfs/dbraw/zinc/34/20/77/393342077.db2.gz FAQXFCXAZCVWLM-VXGBXAGGSA-N -1 3 299.378 3.022 20 0 CGADHM CC[C@@H]1CCCC[C@H]1C(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000280486258 393342083 /nfs/dbraw/zinc/34/20/83/393342083.db2.gz FAQXFCXAZCVWLM-VXGBXAGGSA-N -1 3 299.378 3.022 20 0 CGADHM CC[C@@H]1CCCC[C@H]1C(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000280486258 393342087 /nfs/dbraw/zinc/34/20/87/393342087.db2.gz FAQXFCXAZCVWLM-VXGBXAGGSA-N -1 3 299.378 3.022 20 0 CGADHM [O-]c1cc2ccccc2cc1-c1nc([C@@H]2CCCN2)no1 ZINC000647146941 393349123 /nfs/dbraw/zinc/34/91/23/393349123.db2.gz GAXHRBVRGPZOKU-ZDUSSCGKSA-N -1 3 281.315 3.020 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC000649228924 393376468 /nfs/dbraw/zinc/37/64/68/393376468.db2.gz FWWJKPNWLIBFCI-GMXVVIOVSA-N -1 3 277.412 3.274 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@H]1CCC[C@H](C)C1 ZINC000649231473 393378940 /nfs/dbraw/zinc/37/89/40/393378940.db2.gz XDNLRYGOJANCQQ-JQWIXIFHSA-N -1 3 263.385 3.028 20 0 CGADHM CC(C)Oc1ccc2ccccc2c1CN(C)CC(=O)[O-] ZINC000430667803 393584427 /nfs/dbraw/zinc/58/44/27/393584427.db2.gz OLRFLDOPSCSYGS-UHFFFAOYSA-N -1 3 287.359 3.143 20 0 CGADHM Cc1ccc([N-]C(=O)c2noc(-c3ccccc3)n2)c(F)c1 ZINC000433226670 393700825 /nfs/dbraw/zinc/70/08/25/393700825.db2.gz HSJRVEFZKHNHKK-UHFFFAOYSA-N -1 3 297.289 3.436 20 0 CGADHM Cc1ccc(F)c(S(=O)(=O)[N-][C@@H]2CC[C@@H](C)C[C@H]2C)c1 ZINC000500100341 393817721 /nfs/dbraw/zinc/81/77/21/393817721.db2.gz SKAIZQFUBGEGDF-MPKXVKKWSA-N -1 3 299.411 3.237 20 0 CGADHM CN(Cc1cccc([O-])c1Cl)[C@H](CO)CC(C)(C)C ZINC000449581709 393913303 /nfs/dbraw/zinc/91/33/03/393913303.db2.gz BNLSSRUZVKGZCI-LBPRGKRZSA-N -1 3 285.815 3.275 20 0 CGADHM O=c1[n-]c(CSc2ncco2)nc2c3ccccc3oc21 ZINC000446052808 393842857 /nfs/dbraw/zinc/84/28/57/393842857.db2.gz JUONBYIPCAOYFO-UHFFFAOYSA-N -1 3 299.311 3.362 20 0 CGADHM CC(C)(C(=O)Nc1cc(F)ccc1[O-])C(C)(F)F ZINC000450038863 393968233 /nfs/dbraw/zinc/96/82/33/393968233.db2.gz BORRYFXFTAOCHX-UHFFFAOYSA-N -1 3 261.243 3.151 20 0 CGADHM CC[C@@H]1C[C@H]1C(=O)Nc1cc(Br)ccc1[O-] ZINC000450048411 393969344 /nfs/dbraw/zinc/96/93/44/393969344.db2.gz NZFZCQDPRYJCFB-VXNVDRBHSA-N -1 3 284.153 3.139 20 0 CGADHM CCC[C@H](OC)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000450092239 393976140 /nfs/dbraw/zinc/97/61/40/393976140.db2.gz WCNKKSXCJKZFCO-NSHDSACASA-N -1 3 291.269 3.165 20 0 CGADHM Cc1ccc(-c2nnc(NC(=O)CC3CC(C)(C)C3)[n-]2)o1 ZINC000450142871 393984825 /nfs/dbraw/zinc/98/48/25/393984825.db2.gz WSDVSEOFVASSFH-UHFFFAOYSA-N -1 3 288.351 3.138 20 0 CGADHM Cc1ccc(-c2n[n-]c(NC(=O)CC3CC(C)(C)C3)n2)o1 ZINC000450142871 393984827 /nfs/dbraw/zinc/98/48/27/393984827.db2.gz WSDVSEOFVASSFH-UHFFFAOYSA-N -1 3 288.351 3.138 20 0 CGADHM Cc1ccc(-c2nc(NC(=O)CC3CC(C)(C)C3)n[n-]2)o1 ZINC000450142871 393984828 /nfs/dbraw/zinc/98/48/28/393984828.db2.gz WSDVSEOFVASSFH-UHFFFAOYSA-N -1 3 288.351 3.138 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2C[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)c1 ZINC000452607185 394092536 /nfs/dbraw/zinc/09/25/36/394092536.db2.gz RTQKHFCRAQKTSI-DZASIIFFSA-N -1 3 297.398 3.239 20 0 CGADHM CCc1ccc([O-])c(C(=O)NCCCc2ncccc2C)c1 ZINC000452787172 394120119 /nfs/dbraw/zinc/12/01/19/394120119.db2.gz ZGLXNGHJQXXYGV-UHFFFAOYSA-N -1 3 298.386 3.021 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2C[C@H]3[C@@H]4CC[C@@H](C4)[C@@]3(C)C2)c1 ZINC000456985893 394306229 /nfs/dbraw/zinc/30/62/29/394306229.db2.gz PACJDIXMWPYOFF-VAGZCVSGSA-N -1 3 285.387 3.209 20 0 CGADHM COc1cc(C(=O)N[C@@H](C)[C@@H]2CCC[C@H](C)C2)ccc1[O-] ZINC000457001695 394308452 /nfs/dbraw/zinc/30/84/52/394308452.db2.gz MKESXZBTIGSTTB-RWMBFGLXSA-N -1 3 291.391 3.345 20 0 CGADHM CCc1cccc(N(C)C(=O)c2cc(C(F)(F)F)n[n-]2)c1 ZINC000457334713 394346893 /nfs/dbraw/zinc/34/68/93/394346893.db2.gz ZJJILJUECALXRW-UHFFFAOYSA-N -1 3 297.280 3.268 20 0 CGADHM CCc1cccc(N(C)C(=O)c2cc(C(F)(F)F)[n-]n2)c1 ZINC000457334713 394346894 /nfs/dbraw/zinc/34/68/94/394346894.db2.gz ZJJILJUECALXRW-UHFFFAOYSA-N -1 3 297.280 3.268 20 0 CGADHM CSc1ccc([O-])c(C(=O)N(C)CC2CCCC2)c1 ZINC000667565980 542891629 /nfs/dbraw/zinc/89/16/29/542891629.db2.gz JGUNSGLXBGNZQY-UHFFFAOYSA-N -1 3 279.405 3.376 20 0 CGADHM Cc1ccc(C(=O)N[C@H]2CCCc3c(O)cccc32)c([O-])c1 ZINC000437001682 292077369 /nfs/dbraw/zinc/07/73/69/292077369.db2.gz WQSFOQRISJEMCF-HNNXBMFYSA-N -1 3 297.354 3.214 20 0 CGADHM CC(=O)c1cccc(NC(=O)c2ccc3[nH]ccc3c2)c1[O-] ZINC000673527054 543243678 /nfs/dbraw/zinc/24/36/78/543243678.db2.gz SHQCZNMALJNXTC-UHFFFAOYSA-N -1 3 294.310 3.328 20 0 CGADHM Cc1ccc(C(=O)N2CC[C@H]3[C@@H](C(F)(F)F)[C@H]32)c([O-])c1C ZINC000673949667 543260764 /nfs/dbraw/zinc/26/07/64/543260764.db2.gz SSBCBAZAQDRKDO-WCQGTBRESA-N -1 3 299.292 3.032 20 0 CGADHM C[C@@H]1CC[C@H](C(=O)[O-])N1Cc1ccc(Cl)cc1Cl ZINC000650502406 397859780 /nfs/dbraw/zinc/85/97/80/397859780.db2.gz YWGRLGACJCEWJL-PRHODGIISA-N -1 3 288.174 3.431 20 0 CGADHM c1cc(-c2noc(C3CCCCC3)n2)cc2n[n-]nc12 ZINC000650600150 397879318 /nfs/dbraw/zinc/87/93/18/397879318.db2.gz SYSBQQURBJKTSH-UHFFFAOYSA-N -1 3 269.308 3.056 20 0 CGADHM c1cc(-c2noc([C@@H]3C[C@H]3C3CCCC3)n2)cc2n[n-]nc12 ZINC000650606345 397880969 /nfs/dbraw/zinc/88/09/69/397880969.db2.gz CVASBAUKPANQJE-NWDGAFQWSA-N -1 3 295.346 3.302 20 0 CGADHM CCCN(Cc1ccc(C)cc1)Cc1nc(CC)cc(=O)[n-]1 ZINC000675183298 543319716 /nfs/dbraw/zinc/31/97/16/543319716.db2.gz WXVUIEHAVIMNOO-UHFFFAOYSA-N -1 3 299.418 3.465 20 0 CGADHM Cc1nnc([N-]C(=O)c2ccc(-c3ccco3)s2)s1 ZINC000675751850 543360839 /nfs/dbraw/zinc/36/08/39/543360839.db2.gz RECMZUXLGPUDOD-UHFFFAOYSA-N -1 3 291.357 3.420 20 0 CGADHM O=C([N-]c1cnccc1Oc1ccccc1)c1cnco1 ZINC000677526347 543453971 /nfs/dbraw/zinc/45/39/71/543453971.db2.gz MFMYKHOCSZNYEU-UHFFFAOYSA-N -1 3 281.271 3.114 20 0 CGADHM COc1cccc(C(=O)N2C[C@H](C)[C@H]3CCCC[C@H]32)c1[O-] ZINC000180549788 286443419 /nfs/dbraw/zinc/44/34/19/286443419.db2.gz HGZGAUOKSDRVDV-OUCADQQQSA-N -1 3 289.375 3.052 20 0 CGADHM COc1cccc2c1CCCN2C(=O)c1ccc([O-])c(C)c1 ZINC000436990314 286474095 /nfs/dbraw/zinc/47/40/95/286474095.db2.gz OQXYFHRLELMRHH-UHFFFAOYSA-N -1 3 297.354 3.302 20 0 CGADHM Cc1nc2ccc(NC(=O)c3cccc(C)c3[O-])cc2o1 ZINC000079060330 287053598 /nfs/dbraw/zinc/05/35/98/287053598.db2.gz RBPWSIVWSDPURP-UHFFFAOYSA-N -1 3 282.299 3.403 20 0 CGADHM COc1c(F)cc(NC(=O)c2cccc(C)c2[O-])cc1F ZINC000079225768 287054954 /nfs/dbraw/zinc/05/49/54/287054954.db2.gz NLWDGDFGDJJUKV-UHFFFAOYSA-N -1 3 293.269 3.240 20 0 CGADHM COc1csc(C(=O)Nc2cc(Cl)ccc2[O-])c1 ZINC000080066964 287062885 /nfs/dbraw/zinc/06/28/85/287062885.db2.gz URKLHUJRYYHBAA-UHFFFAOYSA-N -1 3 283.736 3.368 20 0 CGADHM Cc1cc([N-]C(=O)[C@H](C)Nc2cccc(Cl)c2C)on1 ZINC000078455932 165134097 /nfs/dbraw/zinc/13/40/97/165134097.db2.gz XGFQHXKQTMNANH-JTQLQIEISA-N -1 3 293.754 3.384 20 0 CGADHM CCCOc1cccc(CN[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000084854081 165176412 /nfs/dbraw/zinc/17/64/12/165176412.db2.gz PJXNOHGQKUUJCK-QGZVFWFLSA-N -1 3 299.370 3.391 20 0 CGADHM O=C(Nc1ccc([O-])cc1F)c1cc2c(s1)CCC2 ZINC000085203799 165178743 /nfs/dbraw/zinc/17/87/43/165178743.db2.gz IDRBUSBSUSTUBG-UHFFFAOYSA-N -1 3 277.320 3.334 20 0 CGADHM Cc1ccc([O-])c(CNc2ccccc2Br)n1 ZINC000091993510 165278827 /nfs/dbraw/zinc/27/88/27/165278827.db2.gz ZQEJWQVYRBICAF-UHFFFAOYSA-N -1 3 293.164 3.470 20 0 CGADHM Cc1ccc([O-])c(CN[C@H]2CCCc3sccc32)n1 ZINC000091995343 165280515 /nfs/dbraw/zinc/28/05/15/165280515.db2.gz NGQODHVCNNTYLS-LBPRGKRZSA-N -1 3 274.389 3.324 20 0 CGADHM CCSc1ccc(C(=O)Nc2ccc([O-])cc2F)cn1 ZINC000183284173 165709185 /nfs/dbraw/zinc/70/91/85/165709185.db2.gz IBKCTXLLQTZEOW-UHFFFAOYSA-N -1 3 292.335 3.291 20 0 CGADHM COc1cccc(-c2nc(Cc3cccs3)no2)c1[O-] ZINC000111688173 287136324 /nfs/dbraw/zinc/13/63/24/287136324.db2.gz STMLXLVMJNDGHI-UHFFFAOYSA-N -1 3 288.328 3.103 20 0 CGADHM Cc1ccc(-c2nc(-c3ncccc3C)no2)c([O-])c1 ZINC000111689353 287136445 /nfs/dbraw/zinc/13/64/45/287136445.db2.gz IUSRKQZLAWDYKC-UHFFFAOYSA-N -1 3 267.288 3.121 20 0 CGADHM CC(C)[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccccc1F ZINC000112674595 287143769 /nfs/dbraw/zinc/14/37/69/287143769.db2.gz RTWHRNBBLAURME-TZMCWYRMSA-N -1 3 299.411 3.319 20 0 CGADHM COc1ccc(-c2noc(/C=C/c3cccc([O-])c3)n2)cn1 ZINC000122519214 287210549 /nfs/dbraw/zinc/21/05/49/287210549.db2.gz JPCQMXPDDMUNBP-FNORWQNLSA-N -1 3 295.298 3.016 20 0 CGADHM CCN(Cc1ccc(OC)cc1)C(=O)c1ccccc1[O-] ZINC000124517138 287234398 /nfs/dbraw/zinc/23/43/98/287234398.db2.gz ROWYHCSTCJKEBN-UHFFFAOYSA-N -1 3 285.343 3.063 20 0 CGADHM O=C(NC12CC3CC(CC(C3)C1)C2)c1cccc([O-])c1 ZINC000019837809 170885978 /nfs/dbraw/zinc/88/59/78/170885978.db2.gz GQDAKYXTUUGGNW-UHFFFAOYSA-N -1 3 271.360 3.091 20 0 CGADHM CC(C)[C@@H](C)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000021334953 171302488 /nfs/dbraw/zinc/30/24/88/171302488.db2.gz HWPWSMUNGLBOMS-SECBINFHSA-N -1 3 295.326 3.028 20 0 CGADHM CCCCc1nnc([N-]C(=O)c2occc2C)s1 ZINC000021668326 171318706 /nfs/dbraw/zinc/31/87/06/171318706.db2.gz BQTKAJCRXXSYMW-UHFFFAOYSA-N -1 3 265.338 3.034 20 0 CGADHM COc1ccc(C(=O)N2CCC[C@H]3CCCC[C@@H]32)c([O-])c1 ZINC000035219413 172060630 /nfs/dbraw/zinc/06/06/30/172060630.db2.gz BNAXDSTWRPHUPU-DOMZBBRYSA-N -1 3 289.375 3.196 20 0 CGADHM CCOc1ccc(CC(=O)Nc2cccc([O-])c2F)cc1 ZINC000128315319 287308605 /nfs/dbraw/zinc/30/86/05/287308605.db2.gz NPMMBFRTJPUWRY-UHFFFAOYSA-N -1 3 289.306 3.111 20 0 CGADHM Cc1ccc(CCC(=O)Nc2cccc([O-])c2F)cc1 ZINC000128253397 287306786 /nfs/dbraw/zinc/30/67/86/287306786.db2.gz KBCKIDVEXUYNQC-UHFFFAOYSA-N -1 3 273.307 3.411 20 0 CGADHM C[C@@H](COc1ccccc1)C(=O)Nc1cccc([O-])c1F ZINC000128690808 287316123 /nfs/dbraw/zinc/31/61/23/287316123.db2.gz HSTGOKYXDFOINU-NSHDSACASA-N -1 3 289.306 3.185 20 0 CGADHM O=C(/C=C/c1ccnc(Cl)c1)Nc1cccc([O-])c1F ZINC000128693668 287316303 /nfs/dbraw/zinc/31/63/03/287316303.db2.gz QTXOFDRNCROBLB-SNAWJCMRSA-N -1 3 292.697 3.232 20 0 CGADHM C[C@H](C(=O)Nc1cccc([O-])c1F)c1cccc(F)c1 ZINC000129162903 287325691 /nfs/dbraw/zinc/32/56/91/287325691.db2.gz OKXGXJGJGNWABK-VIFPVBQESA-N -1 3 277.270 3.413 20 0 CGADHM O=C(CSc1ccc(F)cc1)Nc1cccc([O-])c1F ZINC000129226126 287327084 /nfs/dbraw/zinc/32/70/84/287327084.db2.gz MVDLLXDHXAEBGH-UHFFFAOYSA-N -1 3 295.310 3.401 20 0 CGADHM CC[C@@H]1CCC[C@H](NC(=O)c2c[n-]c3ccccc3c2=O)C1 ZINC000077136073 177226784 /nfs/dbraw/zinc/22/67/84/177226784.db2.gz XICKKDXUUOQRQB-OLZOCXBDSA-N -1 3 298.386 3.227 20 0 CGADHM [O-]c1coc2cc(OCc3cccc(F)c3F)ccc12 ZINC000057524061 416482679 /nfs/dbraw/zinc/48/26/79/416482679.db2.gz ALCMNBLXDFPMCJ-UHFFFAOYSA-N -1 3 276.238 3.119 20 0 CGADHM CC(C)c1nc(COc2ccc3c([O-])coc3c2)cs1 ZINC000057523900 416483775 /nfs/dbraw/zinc/48/37/75/416483775.db2.gz AFNGVDNKGKVHLP-UHFFFAOYSA-N -1 3 289.356 3.421 20 0 CGADHM CCc1c(C)sc2[n-]c(-c3cccc(C)n3)nc(=O)c12 ZINC000048622643 416456869 /nfs/dbraw/zinc/45/68/69/416456869.db2.gz LFCQAJWEODWABR-UHFFFAOYSA-N -1 3 285.372 3.226 20 0 CGADHM C[C@@H](CNCc1cccc([O-])c1Br)C1CC1 ZINC000315237053 416537052 /nfs/dbraw/zinc/53/70/52/416537052.db2.gz LEVMFKKVIYWDAU-VIFPVBQESA-N -1 3 284.197 3.290 20 0 CGADHM C[C@H](CNCc1cccc([O-])c1Br)C1CC1 ZINC000315237051 416538289 /nfs/dbraw/zinc/53/82/89/416538289.db2.gz LEVMFKKVIYWDAU-SECBINFHSA-N -1 3 284.197 3.290 20 0 CGADHM COc1cccc(C(=O)N2C[C@@H](C)c3ccccc32)c1[O-] ZINC000129985050 287342566 /nfs/dbraw/zinc/34/25/66/287342566.db2.gz IVXLANDWPDKUBT-LLVKDONJSA-N -1 3 283.327 3.165 20 0 CGADHM O=c1[nH]c([C@@H]2CCc3ccccc3C2)nc2ccc([O-])cc12 ZINC000679270218 543611070 /nfs/dbraw/zinc/61/10/70/543611070.db2.gz STHRXFTVPAVBBF-CYBMUJFWSA-N -1 3 292.338 3.314 20 0 CGADHM C[C@@H]1CCN(C(=O)c2cc3c(cc2[O-])CCCC3)C[C@H]1F ZINC000679249791 543607203 /nfs/dbraw/zinc/60/72/03/543607203.db2.gz DUOBDRBQJPMZQP-IAQYHMDHSA-N -1 3 291.366 3.091 20 0 CGADHM CCCN(Cc1ccc(OC)cc1)C(=O)c1cccc([O-])c1 ZINC000679626208 543650573 /nfs/dbraw/zinc/65/05/73/543650573.db2.gz QPXVTIBOKNCUCO-UHFFFAOYSA-N -1 3 299.370 3.453 20 0 CGADHM Cc1cc(C(=O)N2CCC[C@@H]2c2ccc(O)cc2)ccc1[O-] ZINC000679410173 543635885 /nfs/dbraw/zinc/63/58/85/543635885.db2.gz RQXJTMGIMYYINB-MRXNPFEDSA-N -1 3 297.354 3.384 20 0 CGADHM Cc1ccc2c(c1)[C@@H](NC(=O)c1cccc([O-])c1)CC2 ZINC000679638652 543653312 /nfs/dbraw/zinc/65/33/12/543653312.db2.gz VZCCKGOQTWPFDG-INIZCTEOSA-N -1 3 267.328 3.118 20 0 CGADHM C[C@@H]1CCN(C(=O)c2ccc3c(c2[O-])CCCC3)C[C@H]1F ZINC000680456787 543710860 /nfs/dbraw/zinc/71/08/60/543710860.db2.gz GSDYLAUGQJHKMW-IAQYHMDHSA-N -1 3 291.366 3.091 20 0 CGADHM CCc1ccc(C(=O)N(CC)CCC(F)(F)F)c([O-])c1 ZINC000682482701 543848631 /nfs/dbraw/zinc/84/86/31/543848631.db2.gz HVIHAAGBDHOVGN-UHFFFAOYSA-N -1 3 289.297 3.369 20 0 CGADHM CCc1ccc(C(=O)N(CC)Cc2ccoc2)c([O-])c1 ZINC000682487508 543848737 /nfs/dbraw/zinc/84/87/37/543848737.db2.gz DSGQJKJIGFLGTE-UHFFFAOYSA-N -1 3 273.332 3.210 20 0 CGADHM C[C@@H]1CCN(Cc2ccc(F)cc2C(=O)[O-])C[C@@H]1C ZINC000131565049 287383862 /nfs/dbraw/zinc/38/38/62/287383862.db2.gz PVYICJDVFCXNQU-MNOVXSKESA-N -1 3 265.328 3.002 20 0 CGADHM CC(C)C1CN(Cc2cc([O-])ccc2Br)C1 ZINC000684408512 543995504 /nfs/dbraw/zinc/99/55/04/543995504.db2.gz RFMSIFVMHDDYTJ-UHFFFAOYSA-N -1 3 284.197 3.243 20 0 CGADHM Cc1nc(CC(=O)Nc2cc(Cl)ccc2[O-])c(C)s1 ZINC000135142447 287462148 /nfs/dbraw/zinc/46/21/48/287462148.db2.gz ABLSURKGEDPCLM-UHFFFAOYSA-N -1 3 296.779 3.300 20 0 CGADHM CCc1nnc([N-]C(=O)c2coc3cc(F)ccc23)s1 ZINC000354975238 227277813 /nfs/dbraw/zinc/27/78/13/227277813.db2.gz FFNPWVSIDMQLCL-UHFFFAOYSA-N -1 3 291.307 3.238 20 0 CGADHM Cc1cc(CN2CC3(CCC3)C[C@H]2C)oc1C(=O)[O-] ZINC000652446561 418969770 /nfs/dbraw/zinc/96/97/70/418969770.db2.gz LDQYMAYDCSHFPC-LLVKDONJSA-N -1 3 263.337 3.051 20 0 CGADHM C[C@@H](CN(CCC(F)(F)F)Cc1ccccc1)C(=O)[O-] ZINC000652456284 418969817 /nfs/dbraw/zinc/96/98/17/418969817.db2.gz PVBGLWPMDSAOFH-NSHDSACASA-N -1 3 289.297 3.162 20 0 CGADHM CC[C@H](C)CN(CCC(=O)[O-])Cc1cccc(F)c1F ZINC000652483716 418974814 /nfs/dbraw/zinc/97/48/14/418974814.db2.gz CMCTYPYIXSPSKB-NSHDSACASA-N -1 3 285.334 3.288 20 0 CGADHM CCCCN(C)Cc1oc(-c2ccccc2)nc1C(=O)[O-] ZINC000652368324 418958009 /nfs/dbraw/zinc/95/80/09/418958009.db2.gz YHWQOOPGZRIVAO-UHFFFAOYSA-N -1 3 288.347 3.272 20 0 CGADHM C[C@@H]1CCC[C@@H](C)N1Cc1csc(C(=O)[O-])c1 ZINC000652366989 418958524 /nfs/dbraw/zinc/95/85/24/418958524.db2.gz BLNZJAQOVLJVHT-NXEZZACHSA-N -1 3 253.367 3.209 20 0 CGADHM C[C@H]1CCCN(CCOc2ccc(C(=O)[O-])cc2Cl)C1 ZINC000652366703 418958712 /nfs/dbraw/zinc/95/87/12/418958712.db2.gz KBUUBYDBOGWLFQ-NSHDSACASA-N -1 3 297.782 3.149 20 0 CGADHM O=C([O-])[C@@H]1CN(Cc2cc(F)ccc2Cl)C[C@H]1C1CC1 ZINC000652514762 418977681 /nfs/dbraw/zinc/97/76/81/418977681.db2.gz AHPISXUDQSMDMF-QWHCGFSZSA-N -1 3 297.757 3.022 20 0 CGADHM C[C@@H](NC(=O)c1c([O-])cccc1O)C1CCC(F)(F)CC1 ZINC000655412311 419048409 /nfs/dbraw/zinc/04/84/09/419048409.db2.gz RSIQWWJYHUQJOH-SECBINFHSA-N -1 3 299.317 3.042 20 0 CGADHM CCC(CC)CCCN(C)Cc1ccc(C(=O)[O-])cn1 ZINC000659802769 418994077 /nfs/dbraw/zinc/99/40/77/418994077.db2.gz VISMJDFERXYZSF-UHFFFAOYSA-N -1 3 278.396 3.428 20 0 CGADHM CC[C@@H]1CCC[C@H](C)N1Cc1cc(C(=O)[O-])c(C)o1 ZINC000659803450 418995403 /nfs/dbraw/zinc/99/54/03/418995403.db2.gz HIGUQMBEUJMRLU-CMPLNLGQSA-N -1 3 265.353 3.439 20 0 CGADHM CCc1ccc(C(=O)N2CCC3(CC3(F)F)CC2)c([O-])c1 ZINC000652844817 418995471 /nfs/dbraw/zinc/99/54/71/418995471.db2.gz WVAYFFWLONKHPI-UHFFFAOYSA-N -1 3 295.329 3.216 20 0 CGADHM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCC[C@H](OC2CCC2)C1 ZINC000656191867 419147332 /nfs/dbraw/zinc/14/73/32/419147332.db2.gz SJKWYITVAYPBTN-AAEUAGOBSA-N -1 3 293.363 3.072 20 0 CGADHM CSc1ccc([O-])c(C(=O)N(C)[C@@H](C)C(C)C)c1 ZINC000666026346 419180421 /nfs/dbraw/zinc/18/04/21/419180421.db2.gz BBDBYJWEKHDFLA-JTQLQIEISA-N -1 3 267.394 3.231 20 0 CGADHM C[C@H](c1ccccc1)[C@@H](NCc1ccc(Cl)o1)C(=O)[O-] ZINC000656569783 419184394 /nfs/dbraw/zinc/18/43/94/419184394.db2.gz TXGSPZRGAFJJKD-QMTHXVAHSA-N -1 3 293.750 3.280 20 0 CGADHM CCc1ccc(CNC(C)(C)c2nc(C)cc(=O)[n-]2)cc1 ZINC000660747659 419189009 /nfs/dbraw/zinc/18/90/09/419189009.db2.gz VEFFLSVZSJNCGU-UHFFFAOYSA-N -1 3 285.391 3.078 20 0 CGADHM Cc1cc(CNC(C)(C)c2nc(C)cc(=O)[n-]2)c(C)s1 ZINC000660746791 419190046 /nfs/dbraw/zinc/19/00/46/419190046.db2.gz ONYAVLGKYWRMAR-UHFFFAOYSA-N -1 3 291.420 3.194 20 0 CGADHM O=C(Nc1ccc(Br)cc1[O-])C1CC2(CC2)C1 ZINC000666329215 419209490 /nfs/dbraw/zinc/20/94/90/419209490.db2.gz HSKWHYLOWYWXJL-UHFFFAOYSA-N -1 3 296.164 3.283 20 0 CGADHM CC(C)c1ccc2c(c1)CN(CCCC(=O)[O-])CC2 ZINC000656758747 419211238 /nfs/dbraw/zinc/21/12/38/419211238.db2.gz NEXWFIYRAYGZDQ-UHFFFAOYSA-N -1 3 261.365 3.033 20 0 CGADHM Cc1ccc2c(c1)[C@H](NCc1cccc(C(=O)[O-])c1)CC2 ZINC000666574195 419227106 /nfs/dbraw/zinc/22/71/06/419227106.db2.gz BQIKAHAIBYKBQY-QGZVFWFLSA-N -1 3 281.355 3.470 20 0 CGADHM Cc1cnc(S[C@H](C)c2nc(C)cc(=O)[n-]2)c(C)c1 ZINC000657280328 419241414 /nfs/dbraw/zinc/24/14/14/419241414.db2.gz JHMXGTPXCXLRAO-LLVKDONJSA-N -1 3 275.377 3.356 20 0 CGADHM Cc1cc(NC(=O)/C=C/c2cncc([O-])c2)c(C)c(C)c1O ZINC000185788503 287553631 /nfs/dbraw/zinc/55/36/31/287553631.db2.gz DNRZSCPMFXLLFE-SNAWJCMRSA-N -1 3 298.342 3.070 20 0 CGADHM CC12CC(C1)CN2[C@H](C(=O)[O-])c1ccccc1C(F)(F)F ZINC000663314892 419551797 /nfs/dbraw/zinc/55/17/97/419551797.db2.gz BZIBEPNAFYEPNB-PEUVISTOSA-N -1 3 299.292 3.315 20 0 CGADHM C[C@@H]1CCN(C(=O)/C=C/c2ccc[nH]2)c2c([O-])cccc21 ZINC000188857931 287562646 /nfs/dbraw/zinc/56/26/46/287562646.db2.gz XPOUZZVNURQFLT-ABZNLYFFSA-N -1 3 282.343 3.274 20 0 CGADHM Cc1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)c([O-])c1 ZINC000020545925 262249225 /nfs/dbraw/zinc/24/92/25/262249225.db2.gz WWEHMPZZLSTCOM-UHFFFAOYSA-N -1 3 285.387 3.399 20 0 CGADHM CC(C)[C@@H](C)N(C)C(=O)c1c[n-]c2ccccc2c1=O ZINC000299089258 263230696 /nfs/dbraw/zinc/23/06/96/263230696.db2.gz MQZXLICHYNIXTO-LLVKDONJSA-N -1 3 272.348 3.057 20 0 CGADHM CC(C)(C)CC[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000030372198 270026904 /nfs/dbraw/zinc/02/69/04/270026904.db2.gz PFNMPMDJDQVLKW-UHFFFAOYSA-N -1 3 293.791 3.194 20 0 CGADHM Cc1ccc(C(=O)Nc2ccn(-c3ccccc3)n2)c([O-])c1 ZINC000105715190 270048146 /nfs/dbraw/zinc/04/81/46/270048146.db2.gz XREMMDFQHJNOBI-UHFFFAOYSA-N -1 3 293.326 3.139 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-][C@H](C)c2ccccc2)c(F)c1 ZINC000107308325 270049840 /nfs/dbraw/zinc/04/98/40/270049840.db2.gz HFMOFLMKYJOJEA-GFCCVEGCSA-N -1 3 293.363 3.174 20 0 CGADHM CCOc1ccccc1C[S@](=O)c1ccc([O-])cc1 ZINC000108085383 270050760 /nfs/dbraw/zinc/05/07/60/270050760.db2.gz IDDCVDYEQNXYLH-LJQANCHMSA-N -1 3 276.357 3.099 20 0 CGADHM CCCCN(C)C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000184956881 270061382 /nfs/dbraw/zinc/06/13/82/270061382.db2.gz NJUWBNGUBFIJIL-UHFFFAOYSA-N -1 3 261.365 3.143 20 0 CGADHM CS[C@H]1CCC[C@H](NC(=O)c2cc(C)ccc2[O-])C1 ZINC000227355186 270086952 /nfs/dbraw/zinc/08/69/52/270086952.db2.gz BHKIBVPVVGTSIT-RYUDHWBXSA-N -1 3 279.405 3.105 20 0 CGADHM O=C(N[C@@H]1CC[C@@H]2C[C@@H]2C1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000527553901 270129955 /nfs/dbraw/zinc/12/99/55/270129955.db2.gz CUNNICGNWQOHKU-KBVBSXBZSA-N -1 3 299.292 3.329 20 0 CGADHM CCCCc1nnc([N-]C(=O)c2cocc2C)s1 ZINC000528140435 270155528 /nfs/dbraw/zinc/15/55/28/270155528.db2.gz SMHDXNORVMJJPG-UHFFFAOYSA-N -1 3 265.338 3.034 20 0 CGADHM CCc1ccc(-c2nc([C@@H]3CC[C@H](C)O3)no2)c([O-])c1 ZINC000528235926 270158985 /nfs/dbraw/zinc/15/89/85/270158985.db2.gz LWZIZGIKYAAGOB-ZANVPECISA-N -1 3 274.320 3.245 20 0 CGADHM [O-]C(=NOC1CCC1)Nc1cccc(C2CCOCC2)c1 ZINC000529259308 270178931 /nfs/dbraw/zinc/17/89/31/270178931.db2.gz DHRZJIOYOZDSBM-UHFFFAOYSA-N -1 3 290.363 3.186 20 0 CGADHM O=C([N-]OC1CCC1)Nc1cccc(C2CCOCC2)c1 ZINC000529259308 270178932 /nfs/dbraw/zinc/17/89/32/270178932.db2.gz DHRZJIOYOZDSBM-UHFFFAOYSA-N -1 3 290.363 3.186 20 0 CGADHM COCCC1CCN([C@@H](C)c2cc(C)c(C(=O)[O-])o2)CC1 ZINC000530165341 270195262 /nfs/dbraw/zinc/19/52/62/270195262.db2.gz XKTRGWBWDIBECL-LBPRGKRZSA-N -1 3 295.379 3.096 20 0 CGADHM CCc1ccc(CCN2CCc3occc3[C@@H]2C(=O)[O-])cc1 ZINC000530166150 270195441 /nfs/dbraw/zinc/19/54/41/270195441.db2.gz LBERNVKWCHEJNC-QGZVFWFLSA-N -1 3 299.370 3.069 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2cc(F)ccc2O)c1 ZINC000531373706 270206041 /nfs/dbraw/zinc/20/60/41/270206041.db2.gz YTEYRJPLKIXWSI-UHFFFAOYSA-N -1 3 275.279 3.052 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CC[C@@](C)(CC)C2)c1 ZINC000532090257 270213824 /nfs/dbraw/zinc/21/38/24/270213824.db2.gz BAEQEVKGHDWBET-MRXNPFEDSA-N -1 3 261.365 3.217 20 0 CGADHM C[C@@H]1CCSCCN1C(=O)c1cc([O-])ccc1Cl ZINC000290379282 287660430 /nfs/dbraw/zinc/66/04/30/287660430.db2.gz IIPVSWZKPJEGQM-SECBINFHSA-N -1 3 285.796 3.013 20 0 CGADHM O=C(/C=C\c1ccc(Cl)nc1)Nc1ccccc1[O-] ZINC000254930205 287851720 /nfs/dbraw/zinc/85/17/20/287851720.db2.gz HCNRDRUPUNIQTG-VURMDHGXSA-N -1 3 274.707 3.093 20 0 CGADHM CC[C@H]1Cc2ccccc2CN1C(=O)c1cccc([O-])c1 ZINC000345012021 276670494 /nfs/dbraw/zinc/67/04/94/276670494.db2.gz KNGZGLUHRVNZLB-INIZCTEOSA-N -1 3 281.355 3.369 20 0 CGADHM CCc1cc2c([n-]c(-c3cc(C)ccn3)nc2=O)s1 ZINC000349286913 276685853 /nfs/dbraw/zinc/68/58/53/276685853.db2.gz PBLBVMFWZWVXCM-UHFFFAOYSA-N -1 3 271.345 3.330 20 0 CGADHM COc1ccc(C(=O)N2CCCC3(CCCC3)C2)c([O-])c1 ZINC000438569984 277400364 /nfs/dbraw/zinc/40/03/64/277400364.db2.gz UTMPFJMLZLROEC-UHFFFAOYSA-N -1 3 289.375 3.197 20 0 CGADHM CC(C)OCC(C)(C)NCc1cccc([O-])c1Cl ZINC000396433655 288013308 /nfs/dbraw/zinc/01/33/08/288013308.db2.gz XFFAWPYUKXQMPR-UHFFFAOYSA-N -1 3 271.788 3.339 20 0 CGADHM C[C@H](C(=O)N1CC[C@H](C)c2cccc([O-])c21)C(F)(F)F ZINC000335272527 278143730 /nfs/dbraw/zinc/14/37/30/278143730.db2.gz HKYHBIRDJFIGDS-DTWKUNHWSA-N -1 3 287.281 3.431 20 0 CGADHM Cc1cccc(C(=O)NC[C@H](C)CC(F)(F)F)c1[O-] ZINC000397045971 288020812 /nfs/dbraw/zinc/02/08/12/288020812.db2.gz OVTLOMZKRIOSDT-MRVPVSSYSA-N -1 3 275.270 3.019 20 0 CGADHM C[C@H]1CCN(C(=O)c2ncoc2C2CC2)c2c([O-])cccc21 ZINC000293410479 278364868 /nfs/dbraw/zinc/36/48/68/278364868.db2.gz GDWCNEPRYBPEAO-JTQLQIEISA-N -1 3 298.342 3.412 20 0 CGADHM CC(C)[C@@H]1CN(C(=O)c2c([O-])cccc2O)c2ccccc21 ZINC000278437574 280006835 /nfs/dbraw/zinc/00/68/35/280006835.db2.gz VEZGOBRDQJRBFV-ZDUSSCGKSA-N -1 3 297.354 3.498 20 0 CGADHM O=C([N-]c1cc(F)c(F)cc1F)c1noc2c1CCCC2 ZINC000264308111 280008214 /nfs/dbraw/zinc/00/82/14/280008214.db2.gz YNSVGPIUKLBPAO-UHFFFAOYSA-N -1 3 296.248 3.223 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CC[C@H](c3ccc(F)cc3)C2)c1 ZINC000268104682 280918404 /nfs/dbraw/zinc/91/84/04/280918404.db2.gz YBHQWENFWFOAAO-AWEZNQCLSA-N -1 3 299.345 3.469 20 0 CGADHM O=C(Nc1cccc([O-])c1F)c1ccc(-c2cnco2)cc1 ZINC000536464542 288481827 /nfs/dbraw/zinc/48/18/27/288481827.db2.gz RMKRXVXGEAXPDS-UHFFFAOYSA-N -1 3 298.273 3.439 20 0 CGADHM CCc1cccc(C(=O)Nc2ccc3c(c2)ncn3C)c1[O-] ZINC000539874095 288636231 /nfs/dbraw/zinc/63/62/31/288636231.db2.gz NFJFHJRDYMAWDH-UHFFFAOYSA-N -1 3 295.342 3.094 20 0 CGADHM CC(C)[C@@H]1C[C@@H]1C(=O)Nc1ccc(Br)cc1[O-] ZINC000542007134 288731344 /nfs/dbraw/zinc/73/13/44/288731344.db2.gz LCWQIAYGHNOWRQ-UWVGGRQHSA-N -1 3 298.180 3.385 20 0 CGADHM C[C@H]1CCN(C(=O)Cc2ccc([O-])cc2Cl)CC1(C)C ZINC000544798561 288862756 /nfs/dbraw/zinc/86/27/56/288862756.db2.gz FEUANEDDUKCHIX-NSHDSACASA-N -1 3 295.810 3.483 20 0 CGADHM CCc1ccc([O-])c(-c2nc(CCC3CC3)no2)c1 ZINC000546532766 288930169 /nfs/dbraw/zinc/93/01/69/288930169.db2.gz AZBHRXVWONEPDY-UHFFFAOYSA-N -1 3 258.321 3.347 20 0 CGADHM CC(C)(C)c1ccc(NC(=O)CCC(C)(C)O)c([O-])c1 ZINC000548816796 289024173 /nfs/dbraw/zinc/02/41/73/289024173.db2.gz FYDBVJHTBQEDCC-UHFFFAOYSA-N -1 3 279.380 3.179 20 0 CGADHM C[C@@H](CC(=O)N=c1cc2ccccn2[n-]1)C1CCCCC1 ZINC000553332156 289219857 /nfs/dbraw/zinc/21/98/57/289219857.db2.gz NZELFRQVVGDEDA-ZDUSSCGKSA-N -1 3 285.391 3.301 20 0 CGADHM CCc1coc([N-]C(=O)c2cc(-c3cccs3)on2)n1 ZINC000559318609 289542768 /nfs/dbraw/zinc/54/27/68/289542768.db2.gz YAQUVGFNXKCUJZ-UHFFFAOYSA-N -1 3 289.316 3.206 20 0 CGADHM Cc1sc2[n-]c(COc3ccccc3)nc(=O)c2c1C ZINC000041864266 294082573 /nfs/dbraw/zinc/08/25/73/294082573.db2.gz QWILUUVKUFXOMR-UHFFFAOYSA-N -1 3 286.356 3.180 20 0 CGADHM C[C@H]([N-]C(=O)C(C)(F)F)c1ccccc1OC(F)F ZINC000288691935 299028971 /nfs/dbraw/zinc/02/89/71/299028971.db2.gz XYJHIAZLPSEVRC-ZETCQYMHSA-N -1 3 279.233 3.120 20 0 CGADHM Cc1cc(C(=O)N2C[C@@H](C)CCC[C@@H]2C)ccc1[O-] ZINC000436903996 301118272 /nfs/dbraw/zinc/11/82/72/301118272.db2.gz OQFUYAZVRLEFPZ-AAEUAGOBSA-N -1 3 261.365 3.351 20 0 CGADHM C[C@@H](CF)NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436739500 533702181 /nfs/dbraw/zinc/70/21/81/533702181.db2.gz OLMZCAKXULPTAW-NSHDSACASA-N -1 3 289.306 3.272 20 0 CGADHM C[C@@H](Sc1ccccn1)C(=O)Nc1cc(F)ccc1[O-] ZINC000161571576 321870115 /nfs/dbraw/zinc/87/01/15/321870115.db2.gz ZHXKLWBREZCNIK-SECBINFHSA-N -1 3 292.335 3.046 20 0 CGADHM O=C([O-])CCC1CCN(Cc2ccc3ccccc3n2)CC1 ZINC000315658565 321960388 /nfs/dbraw/zinc/96/03/88/321960388.db2.gz UQQLGYYFIGDKHY-UHFFFAOYSA-N -1 3 298.386 3.312 20 0 CGADHM CC(C)(C)CCS(=O)(=O)[N-]c1cccc2ccncc21 ZINC000563656826 322005615 /nfs/dbraw/zinc/00/56/15/322005615.db2.gz NONOUMCVCVTYHW-UHFFFAOYSA-N -1 3 292.404 3.413 20 0 CGADHM Cc1oc(C(=O)[O-])cc1CN1CCS[C@H]2CCCC[C@@H]21 ZINC000565103348 322060595 /nfs/dbraw/zinc/06/05/95/322060595.db2.gz FGVUSUOTGOAFLM-JSGCOSHPSA-N -1 3 295.404 3.146 20 0 CGADHM CC(C)[C@H]1CCC[C@H](NC(=O)Cc2cncc([O-])c2)CC1 ZINC000565214504 322066497 /nfs/dbraw/zinc/06/64/97/322066497.db2.gz PMWSPVDQFWTCDZ-GJZGRUSLSA-N -1 3 290.407 3.051 20 0 CGADHM O=C(CNc1ccccc1)Nc1cc(Cl)ccc1[O-] ZINC000565338831 322073545 /nfs/dbraw/zinc/07/35/45/322073545.db2.gz HMTVAEWLUCKUPJ-UHFFFAOYSA-N -1 3 276.723 3.096 20 0 CGADHM O=C([O-])c1coc(CN2CCC(c3ccccc3)CC2)c1 ZINC000565663083 322086027 /nfs/dbraw/zinc/08/60/27/322086027.db2.gz YDAVIAMAMCEGRD-UHFFFAOYSA-N -1 3 285.343 3.357 20 0 CGADHM CN(Cc1ccoc1C(=O)[O-])[C@H]1CCCc2ccccc21 ZINC000566072990 322102874 /nfs/dbraw/zinc/10/28/74/322102874.db2.gz BSEJZFFZIAAVQM-HNNXBMFYSA-N -1 3 285.343 3.487 20 0 CGADHM C[C@H](c1ccc(F)c(F)c1)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000566221920 322110205 /nfs/dbraw/zinc/11/02/05/322110205.db2.gz WSKSNDPNIFACFF-FOGDFJRCSA-N -1 3 283.318 3.068 20 0 CGADHM CCS[C@H]1CCCCN(Cc2ccc(C(=O)[O-])o2)C1 ZINC000566860494 322141222 /nfs/dbraw/zinc/14/12/22/322141222.db2.gz MUIBHOLCOITAJE-LBPRGKRZSA-N -1 3 283.393 3.085 20 0 CGADHM Cc1cc(CN2CC[C@@]3(CC[C@@H](C)C3)C2)oc1C(=O)[O-] ZINC000567620176 322171012 /nfs/dbraw/zinc/17/10/12/322171012.db2.gz STJXCJOYWHCKNS-BDJLRTHQSA-N -1 3 277.364 3.298 20 0 CGADHM CCc1nc(C(C)C)ccc1CN1CCC[C@H](C(=O)[O-])C1 ZINC000568064967 322191204 /nfs/dbraw/zinc/19/12/04/322191204.db2.gz WZMFRYYLVXSVSS-AWEZNQCLSA-N -1 3 290.407 3.064 20 0 CGADHM CC1(C)CCC[C@@H](CNCc2cc(C(=O)[O-])co2)C1 ZINC000568706622 322219156 /nfs/dbraw/zinc/21/91/56/322219156.db2.gz DXLGQDBASZAJKM-LLVKDONJSA-N -1 3 265.353 3.284 20 0 CGADHM CC(=O)c1cccc(NC(=O)C[C@H]2CCC[C@H]2C)c1[O-] ZINC000568884772 322226522 /nfs/dbraw/zinc/22/65/22/322226522.db2.gz AFPCELPZEHXBFG-ZYHUDNBSSA-N -1 3 275.348 3.360 20 0 CGADHM Cc1cc(CC(=O)Nc2ccc(C(C)(C)C)cc2[O-])on1 ZINC000569699857 322254775 /nfs/dbraw/zinc/25/47/75/322254775.db2.gz BOAYYXODYNQLFG-UHFFFAOYSA-N -1 3 288.347 3.167 20 0 CGADHM CCc1cccc(C(=O)NCC(C)(C)c2cccnc2)c1[O-] ZINC000569789867 322257175 /nfs/dbraw/zinc/25/71/75/322257175.db2.gz LQXKKSOJDHIELY-UHFFFAOYSA-N -1 3 298.386 3.057 20 0 CGADHM C[C@@H]1CN(Cc2cc(F)ccc2Cl)C[C@]1(C)C(=O)[O-] ZINC000569818772 322257911 /nfs/dbraw/zinc/25/79/11/322257911.db2.gz UFVWQKWTJPKXDF-OTYXRUKQSA-N -1 3 285.746 3.022 20 0 CGADHM CC[C@@H](NCc1csc(Cl)c1Cl)C(=O)[O-] ZINC000570569287 322276724 /nfs/dbraw/zinc/27/67/24/322276724.db2.gz MOGBFXLEMIRMFP-ZCFIWIBFSA-N -1 3 268.165 3.008 20 0 CGADHM C[C@H](c1ccco1)N(C)Cc1ccccc1C(=O)[O-] ZINC000570575077 322277023 /nfs/dbraw/zinc/27/70/23/322277023.db2.gz IZRUNEKUBOVACX-LLVKDONJSA-N -1 3 259.305 3.171 20 0 CGADHM C[C@@H]1CC[C@@](CNCc2ccc(F)cc2F)(CC(=O)[O-])C1 ZINC000570776055 322281880 /nfs/dbraw/zinc/28/18/80/322281880.db2.gz QVXNQTNUOIQMOP-BZNIZROVSA-N -1 3 297.345 3.336 20 0 CGADHM CC1(C2CC2)CCN(Cc2csc(C(=O)[O-])c2)CC1 ZINC000572180949 322324127 /nfs/dbraw/zinc/32/41/27/322324127.db2.gz WFWPJRZUNOQUTK-UHFFFAOYSA-N -1 3 279.405 3.458 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)C2=CC[C@@H](C)CC2)c1-c1ccccc1 ZINC000572965873 322363485 /nfs/dbraw/zinc/36/34/85/322363485.db2.gz ZZSSHLJUXCZIGN-GFCCVEGCSA-N -1 3 295.386 3.492 20 0 CGADHM O=C([O-])c1cnccc1N1CCC[C@]2(CC=CCC2)C1 ZINC000575804922 322490741 /nfs/dbraw/zinc/49/07/41/322490741.db2.gz FKHDFYDOSKTEST-MRXNPFEDSA-N -1 3 272.348 3.107 20 0 CGADHM C[C@@H](c1nc(-c2ccc3n[n-]nc3c2)no1)c1ccccc1 ZINC000584207529 327066810 /nfs/dbraw/zinc/06/68/10/327066810.db2.gz CDXPAIUYZXKFRD-SNVBAGLBSA-N -1 3 291.314 3.160 20 0 CGADHM [O-]c1cccnc1CN1CCC[C@@H]1c1cccs1 ZINC000576194019 335167434 /nfs/dbraw/zinc/16/74/34/335167434.db2.gz PJUPAHQXFANJBY-GFCCVEGCSA-N -1 3 260.362 3.186 20 0 CGADHM C[C@H](C(=O)Nc1cc(F)ccc1[O-])c1ccccc1F ZINC000174882197 335168222 /nfs/dbraw/zinc/16/82/22/335168222.db2.gz SZDZBQZBSUVCCC-VIFPVBQESA-N -1 3 277.270 3.413 20 0 CGADHM O=C(CSc1ccccc1)Nc1cc(F)ccc1[O-] ZINC000174891746 335168963 /nfs/dbraw/zinc/16/89/63/335168963.db2.gz KQRGEAULTDTHQN-UHFFFAOYSA-N -1 3 277.320 3.262 20 0 CGADHM Cc1cscc1C(=O)Nc1cc(F)ccc1[O-] ZINC000175424242 335183738 /nfs/dbraw/zinc/18/37/38/335183738.db2.gz UUQZDVPFRLUQBN-UHFFFAOYSA-N -1 3 251.282 3.154 20 0 CGADHM Cc1ccc(C(=O)N[C@@H]2COCc3ccccc32)c([O-])c1C ZINC000576329029 335190292 /nfs/dbraw/zinc/19/02/92/335190292.db2.gz CKFRSTYMBLENPE-MRXNPFEDSA-N -1 3 297.354 3.010 20 0 CGADHM CC1CCN([C@@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC000576523975 335214610 /nfs/dbraw/zinc/21/46/10/335214610.db2.gz UHEOTIHDFBJGJZ-CYBMUJFWSA-N -1 3 267.756 3.198 20 0 CGADHM CCc1cccc(C(=O)N[C@H]2CC23CCCC3)c1[O-] ZINC000576569841 335219626 /nfs/dbraw/zinc/21/96/26/335219626.db2.gz YMZXFKSYENXANP-ZDUSSCGKSA-N -1 3 259.349 3.017 20 0 CGADHM CCC[C@H](NC(=O)Cc1cncc([O-])c1)C1CCCCC1 ZINC000576648841 335231240 /nfs/dbraw/zinc/23/12/40/335231240.db2.gz UGZPRMBCZRTGRL-INIZCTEOSA-N -1 3 290.407 3.195 20 0 CGADHM Cc1conc1[N-]C(=O)c1csc(C2CCCCC2)n1 ZINC000577349411 335341478 /nfs/dbraw/zinc/34/14/78/335341478.db2.gz MAIZGJRVFQOESK-UHFFFAOYSA-N -1 3 291.376 3.161 20 0 CGADHM CCCC[C@H](C(=O)[O-])N1CCC[C@@H]1c1ccc(C)o1 ZINC000577521688 335364369 /nfs/dbraw/zinc/36/43/69/335364369.db2.gz NIHRWRCDGLGDGV-CHWSQXEVSA-N -1 3 265.353 3.368 20 0 CGADHM O=C(Nc1ncccc1[O-])c1occc1-c1ccc(F)cc1 ZINC000180994908 335747275 /nfs/dbraw/zinc/74/72/75/335747275.db2.gz BZNWUWWEAOJQSP-UHFFFAOYSA-N -1 3 298.273 3.439 20 0 CGADHM CC(C)(C(=O)Nc1ncccc1[O-])c1cccc(Cl)c1 ZINC000181000226 335747364 /nfs/dbraw/zinc/74/73/64/335747364.db2.gz LRWSZRRGUUKHFY-UHFFFAOYSA-N -1 3 290.750 3.357 20 0 CGADHM CC[C@H]1CCCC[C@@H]1OCC(=O)Nc1cccc([O-])c1F ZINC000184891030 335939443 /nfs/dbraw/zinc/93/94/43/335939443.db2.gz WYWUBOLBYCZGHJ-FZMZJTMJSA-N -1 3 295.354 3.455 20 0 CGADHM C[C@H](NC(=O)c1c([O-])cccc1O)[C@@H]1CC2CCC1CC2 ZINC000381512282 336067264 /nfs/dbraw/zinc/06/72/64/336067264.db2.gz LBACUYWBBYTWKY-WTIISPKJSA-N -1 3 289.375 3.042 20 0 CGADHM CC[C@@H]1CCC[C@H]1C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000581609567 336111974 /nfs/dbraw/zinc/11/19/74/336111974.db2.gz GLYZEXAOTSTNTF-DGCLKSJQSA-N -1 3 275.348 3.360 20 0 CGADHM C[C@H]1CC2(CCC2)CN1Cc1csc(C(=O)[O-])c1 ZINC000581671936 336126005 /nfs/dbraw/zinc/12/60/05/336126005.db2.gz OCJVZSXGIHIDLC-JTQLQIEISA-N -1 3 265.378 3.211 20 0 CGADHM C[C@H]1CC[C@H](CNC(=O)Cc2ccc([O-])cc2Cl)C1 ZINC000357997768 533747776 /nfs/dbraw/zinc/74/77/76/533747776.db2.gz YUDPAHQEMUEIFD-QWRGUYRKSA-N -1 3 281.783 3.141 20 0 CGADHM C[C@H](CCCC(F)(F)F)NC(=O)c1cccc([O-])c1 ZINC000427969317 533838061 /nfs/dbraw/zinc/83/80/61/533838061.db2.gz WGFOWHBJVQNSRI-SECBINFHSA-N -1 3 275.270 3.243 20 0 CGADHM Cc1cc(-c2nc(-c3ccc([O-])cc3)no2)nn1C(F)F ZINC000436594658 533998444 /nfs/dbraw/zinc/99/84/44/533998444.db2.gz IFMMKQFOBIYFIO-UHFFFAOYSA-N -1 3 292.245 3.009 20 0 CGADHM Cc1cc2c[nH]nc2cc1NC(=O)c1ccc([O-])c(C)c1 ZINC000436931327 534080905 /nfs/dbraw/zinc/08/09/05/534080905.db2.gz ZWEMSNPICCHYEZ-UHFFFAOYSA-N -1 3 281.315 3.138 20 0 CGADHM Cc1ccc([O-])c(CNc2ncc(Cl)cc2C)n1 ZINC000359472478 534198995 /nfs/dbraw/zinc/19/89/95/534198995.db2.gz DPDMDLDSZYZNFP-UHFFFAOYSA-N -1 3 263.728 3.065 20 0 CGADHM [O-]c1ccc(-c2noc(Cn3ccc4ccccc43)n2)cc1 ZINC000436770853 534450614 /nfs/dbraw/zinc/45/06/14/534450614.db2.gz VEMMYAIZFFPSEH-UHFFFAOYSA-N -1 3 291.310 3.445 20 0 CGADHM CCO[N-]C(=O)Nc1ccc(CCC(F)(F)F)cc1 ZINC000184073501 520238532 /nfs/dbraw/zinc/23/85/32/520238532.db2.gz OZIBOBLFXZIDOX-UHFFFAOYSA-N -1 3 276.258 3.255 20 0 CGADHM Cc1cccc(C(=O)N(C)[C@H](C)Cc2ccc(O)cc2)c1[O-] ZINC000159219620 534584419 /nfs/dbraw/zinc/58/44/19/534584419.db2.gz LGBUPAJLISCHDD-CYBMUJFWSA-N -1 3 299.370 3.109 20 0 CGADHM Cc1cccc(C(C)(C)CNC(=O)c2ccccc2[O-])c1 ZINC000436751036 534633631 /nfs/dbraw/zinc/63/36/31/534633631.db2.gz ZHNOSAHXRZIANS-UHFFFAOYSA-N -1 3 283.371 3.408 20 0 CGADHM C[C@@H]1CC[C@H](C)N(C(=O)Cc2ccc([O-])cc2Cl)C1 ZINC000155516565 524651292 /nfs/dbraw/zinc/65/12/92/524651292.db2.gz NWPCAWUIMVYMBD-MNOVXSKESA-N -1 3 281.783 3.235 20 0 CGADHM Cc1cc(NC(=O)c2c[n-]nc2-c2ccccc2)ccn1 ZINC000078276254 525239595 /nfs/dbraw/zinc/23/95/95/525239595.db2.gz WBIDOPYJGILDHB-UHFFFAOYSA-N -1 3 278.315 3.032 20 0 CGADHM C/C=C/c1ccc(NC(=O)c2ccc(C(=O)OC)[n-]2)cc1 ZINC000354938694 526304470 /nfs/dbraw/zinc/30/44/70/526304470.db2.gz DVWYPBXSAWZDPL-ONEGZZNKSA-N -1 3 284.315 3.087 20 0 CGADHM O=S(=O)([N-]C[C@H]1CC=CCC1)c1ccc(Cl)s1 ZINC000049282564 527227136 /nfs/dbraw/zinc/22/71/36/527227136.db2.gz ROHUVBFITONKND-VIFPVBQESA-N -1 3 291.825 3.036 20 0 CGADHM CC(=O)c1ccc(C(=O)N2CCC[C@H](C(C)C)C2)cc1[O-] ZINC000412269109 527241260 /nfs/dbraw/zinc/24/12/60/527241260.db2.gz LFODKLUYMONLNY-AWEZNQCLSA-N -1 3 289.375 3.103 20 0 CGADHM CC(=O)c1ccc(C(=O)N[C@H](C)CC(C)(C)C)cc1[O-] ZINC000412430301 527263745 /nfs/dbraw/zinc/26/37/45/527263745.db2.gz USXHXSZIXDHTEC-SNVBAGLBSA-N -1 3 277.364 3.149 20 0 CGADHM CC(C)C1(C[N-]S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000440394226 527614952 /nfs/dbraw/zinc/61/49/52/527614952.db2.gz ULVSVUNJZFKIBI-UHFFFAOYSA-N -1 3 293.841 3.116 20 0 CGADHM CC(C)(C)C[C@H](NCc1ccc(Cl)cc1F)C(=O)[O-] ZINC000426796968 527701935 /nfs/dbraw/zinc/70/19/35/527701935.db2.gz CYIRRCSQNSVOTJ-LBPRGKRZSA-N -1 3 287.762 3.458 20 0 CGADHM CC(C)CCCCC(=O)N=c1cc(-c2ccncc2)[n-][nH]1 ZINC000411784262 527702912 /nfs/dbraw/zinc/70/29/12/527702912.db2.gz HJQAMFUDABRBFU-UHFFFAOYSA-N -1 3 286.379 3.049 20 0 CGADHM CC(C)CCOC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000193360072 527746224 /nfs/dbraw/zinc/74/62/24/527746224.db2.gz SJBRHQZYYNNAEN-UHFFFAOYSA-N -1 3 291.391 3.060 20 0 CGADHM CC(C)[C@H]1CCC[C@@H](NC(=O)Cc2ccc([O-])c(F)c2)C1 ZINC000448911141 527786284 /nfs/dbraw/zinc/78/62/84/527786284.db2.gz OOATYLYJWSLYNX-UONOGXRCSA-N -1 3 293.382 3.405 20 0 CGADHM CCCC1(CNC(=O)c2ccc([O-])c(CC)c2)CC1 ZINC000436704768 528058658 /nfs/dbraw/zinc/05/86/58/528058658.db2.gz POUSIIQVBFDMBT-UHFFFAOYSA-N -1 3 261.365 3.265 20 0 CGADHM CC(C)c1ccc(C(=O)N(C)C[C@H]2CCCCO2)c([O-])c1 ZINC000436688810 528059510 /nfs/dbraw/zinc/05/95/10/528059510.db2.gz MFZZZTFWMIPONC-CQSZACIVSA-N -1 3 291.391 3.157 20 0 CGADHM CC(C)c1ccc(C(=O)N[C@@H](C)c2nccs2)c([O-])c1 ZINC000412486673 528076428 /nfs/dbraw/zinc/07/64/28/528076428.db2.gz NPWSLOQZGXFBPR-JTQLQIEISA-N -1 3 290.388 3.463 20 0 CGADHM CCC[C@H]1SCCN1C(=O)c1ccc(CC)cc1[O-] ZINC000436833416 528440695 /nfs/dbraw/zinc/44/06/95/528440695.db2.gz LKZUMERXQRVHRP-CQSZACIVSA-N -1 3 279.405 3.270 20 0 CGADHM CCC(C)(C)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436598826 528596809 /nfs/dbraw/zinc/59/68/09/528596809.db2.gz BBXWAJYCLAPFGK-AWEZNQCLSA-N -1 3 261.365 3.433 20 0 CGADHM CCCCOc1ccc(C(=O)N[C@@H]2[C@@H]3CCC[C@@H]32)c([O-])c1 ZINC000436819128 528667305 /nfs/dbraw/zinc/66/73/05/528667305.db2.gz CNOWIUQJWKXIDY-YWVIFJGQSA-N -1 3 289.375 3.099 20 0 CGADHM CCCC[C@@H](NCc1c(F)cc(C)cc1F)C(=O)[O-] ZINC000424624954 528855203 /nfs/dbraw/zinc/85/52/03/528855203.db2.gz SMLPEQPKKLBFBO-CYBMUJFWSA-N -1 3 271.307 3.006 20 0 CGADHM CC1(C)CC(Cc2nc(-c3ccc([O-])cc3)no2)C1 ZINC000436783887 528885700 /nfs/dbraw/zinc/88/57/00/528885700.db2.gz NXNDBQGLKMYISZ-UHFFFAOYSA-N -1 3 258.321 3.421 20 0 CGADHM CC1(C)CC[C@H]([N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000162700305 529048357 /nfs/dbraw/zinc/04/83/57/529048357.db2.gz SQBCDOFWPVQTMY-QMMMGPOBSA-N -1 3 293.841 3.259 20 0 CGADHM CCOCc1cccc(NC(=O)c2ccc([O-])c(C)c2)c1 ZINC000436896995 529060747 /nfs/dbraw/zinc/06/07/47/529060747.db2.gz PHCSLYCFNYJVOK-UHFFFAOYSA-N -1 3 285.343 3.489 20 0 CGADHM CCC1(CC)CN(C(=O)c2cc(C)ccc2[O-])CCS1 ZINC000436801901 529074210 /nfs/dbraw/zinc/07/42/10/529074210.db2.gz XAYFBSDDLPRQGP-UHFFFAOYSA-N -1 3 293.432 3.448 20 0 CGADHM CCO[N-]C(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000173023350 529087046 /nfs/dbraw/zinc/08/70/46/529087046.db2.gz BLTQNDMNEZWMDD-MNOVXSKESA-N -1 3 274.147 3.165 20 0 CGADHM CCN(C(=O)c1cccc(C)c1[O-])c1cccc(OC)c1 ZINC000436763075 529089638 /nfs/dbraw/zinc/08/96/38/529089638.db2.gz VZAPWBCOQBIGGE-UHFFFAOYSA-N -1 3 285.343 3.376 20 0 CGADHM CCSCC[C@@H](C)NC(=O)c1ccc(C)c(C)c1[O-] ZINC000436579213 529188330 /nfs/dbraw/zinc/18/83/30/529188330.db2.gz YIFISNYVZHOBSC-LLVKDONJSA-N -1 3 281.421 3.271 20 0 CGADHM CCS[C@@H]1CCC[C@H](NC(=O)c2ccc([O-])c(C)c2)C1 ZINC000436927316 529216462 /nfs/dbraw/zinc/21/64/62/529216462.db2.gz RRQMJGBERWSKJG-UONOGXRCSA-N -1 3 293.432 3.495 20 0 CGADHM CC/C=C\CNCc1cccc([O-])c1Br ZINC000315095571 535259436 /nfs/dbraw/zinc/25/94/36/535259436.db2.gz ICOYZWBRGCJXAJ-ARJAWSKDSA-N -1 3 270.170 3.211 20 0 CGADHM CCc1cc(C(=O)N(CC)CCC2CC2)ccc1[O-] ZINC000487120569 536101684 /nfs/dbraw/zinc/10/16/84/536101684.db2.gz SPQFXJRTOPMXIU-UHFFFAOYSA-N -1 3 261.365 3.217 20 0 CGADHM CCc1cc(C(=O)NCC2(C)CCCC2)ccc1[O-] ZINC000486227609 536118569 /nfs/dbraw/zinc/11/85/69/536118569.db2.gz HLFCAMMVDNIDTH-UHFFFAOYSA-N -1 3 261.365 3.265 20 0 CGADHM CCc1cc(C(=O)Nc2cc3n[nH]cc3cc2C)ccc1[O-] ZINC000486094237 536133008 /nfs/dbraw/zinc/13/30/08/536133008.db2.gz VDECHAOKWOBGPK-UHFFFAOYSA-N -1 3 295.342 3.392 20 0 CGADHM COc1cc(C)c(NC(=O)/C=C\c2cncc([O-])c2)cc1C ZINC000493657660 536580650 /nfs/dbraw/zinc/58/06/50/536580650.db2.gz KPRNXFHBNYQAGJ-PLNGDYQASA-N -1 3 298.342 3.065 20 0 CGADHM Cc1noc(C)c1[N-]C(=O)c1cc(Cl)nc(Cl)c1 ZINC000748637496 572981696 /nfs/dbraw/zinc/98/16/96/572981696.db2.gz XDBFWCANVGLFKL-UHFFFAOYSA-N -1 3 286.118 3.246 20 0 CGADHM CSc1ccc(CNC(=O)c2ccccc2[O-])cc1 ZINC000048927384 571676438 /nfs/dbraw/zinc/67/64/38/571676438.db2.gz GZFLZJKANAMNAD-UHFFFAOYSA-N -1 3 273.357 3.044 20 0 CGADHM O=C([N-][C@@H]1CCCC[C@H]1Cc1ccccc1)C(F)(F)F ZINC000729370633 571902553 /nfs/dbraw/zinc/90/25/53/571902553.db2.gz BKGOJNFYKZAMEQ-QWHCGFSZSA-N -1 3 285.309 3.466 20 0 CGADHM CC(C)CC[C@@H]1CCC[C@H]1[N-]C(=O)C(F)(F)F ZINC000729374211 571903421 /nfs/dbraw/zinc/90/34/21/571903421.db2.gz MWQQXBIOBKUSTK-VHSXEESVSA-N -1 3 251.292 3.270 20 0 CGADHM CC(C)c1ccc(NC(=O)c2ccc(N)cc2[O-])cc1 ZINC000750870099 572330670 /nfs/dbraw/zinc/33/06/70/572330670.db2.gz ZRZZGRLPCAGEJL-UHFFFAOYSA-N -1 3 270.332 3.350 20 0 CGADHM Cc1ccc(CNc2cccc(Cl)c2-c2nnn[n-]2)cc1 ZINC000737341345 572338148 /nfs/dbraw/zinc/33/81/48/572338148.db2.gz GJPHUMUFEZQDRC-UHFFFAOYSA-N -1 3 299.765 3.441 20 0 CGADHM Cc1ccc(CNc2cccc(Cl)c2-c2nn[n-]n2)cc1 ZINC000737341345 572338152 /nfs/dbraw/zinc/33/81/52/572338152.db2.gz GJPHUMUFEZQDRC-UHFFFAOYSA-N -1 3 299.765 3.441 20 0 CGADHM [O-]c1ccc(CNC(=S)Nc2ccccc2)cc1F ZINC000737461566 572345896 /nfs/dbraw/zinc/34/58/96/572345896.db2.gz OLQULYREHZWKPT-UHFFFAOYSA-N -1 3 276.336 3.018 20 0 CGADHM CC[C@@](C)(NC(=O)c1ccc(O)cc1[O-])c1ccccc1 ZINC000730759935 572374588 /nfs/dbraw/zinc/37/45/88/572374588.db2.gz BIZOEFQBJFUJPW-QGZVFWFLSA-N -1 3 285.343 3.153 20 0 CGADHM c1ccc2c(c1)nc(NCCCC1CC1)cc2-c1nnn[n-]1 ZINC000738433737 572375670 /nfs/dbraw/zinc/37/56/70/572375670.db2.gz UWJSCOIPNCJDFG-UHFFFAOYSA-N -1 3 294.362 3.017 20 0 CGADHM c1ccc2c(c1)nc(NCCCC1CC1)cc2-c1nn[n-]n1 ZINC000738433737 572375672 /nfs/dbraw/zinc/37/56/72/572375672.db2.gz UWJSCOIPNCJDFG-UHFFFAOYSA-N -1 3 294.362 3.017 20 0 CGADHM Fc1cc(OC/C=C\c2ccccc2)ccc1-c1nnn[n-]1 ZINC000737648561 572382418 /nfs/dbraw/zinc/38/24/18/572382418.db2.gz AVBZNEMTLZRYCG-DAXSKMNVSA-N -1 3 296.305 3.098 20 0 CGADHM Fc1cc(OC/C=C\c2ccccc2)ccc1-c1nn[n-]n1 ZINC000737648561 572382423 /nfs/dbraw/zinc/38/24/23/572382423.db2.gz AVBZNEMTLZRYCG-DAXSKMNVSA-N -1 3 296.305 3.098 20 0 CGADHM CC[C@H](C)OC(=O)c1cccc(Br)c1[O-] ZINC000738650351 572385086 /nfs/dbraw/zinc/38/50/86/572385086.db2.gz MEKOZVSPALRDJN-ZETCQYMHSA-N -1 3 273.126 3.110 20 0 CGADHM C[C@@H](c1cccc(F)c1)N1CCC(CN(C)C(=O)[O-])CC1 ZINC000739059029 572400597 /nfs/dbraw/zinc/40/05/97/572400597.db2.gz QLAAIHYJKMFOIO-LBPRGKRZSA-N -1 3 294.370 3.209 20 0 CGADHM C[C@@H]1C[C@@H]1c1ccc(CNC2CCC(NC(=O)[O-])CC2)o1 ZINC000739087256 572401909 /nfs/dbraw/zinc/40/19/09/572401909.db2.gz HKALYRYNALNKSN-NPZBDFSRSA-N -1 3 292.379 3.071 20 0 CGADHM CC1(C)[C@H](OC(=O)c2cc3ccsc3[n-]2)[C@@H]2CCO[C@H]21 ZINC000739368512 572412288 /nfs/dbraw/zinc/41/22/88/572412288.db2.gz ZLIGRZVILGBAAF-YUSALJHKSA-N -1 3 291.372 3.200 20 0 CGADHM O=C(OCc1cccc(C(F)(F)F)c1)c1cncc([O-])c1 ZINC000731916403 572436071 /nfs/dbraw/zinc/43/60/71/572436071.db2.gz TZRCZOWCVLBHPF-UHFFFAOYSA-N -1 3 297.232 3.163 20 0 CGADHM CC(C)c1ocnc1C(=O)[N-]c1cc(F)ccc1F ZINC000731901750 572436414 /nfs/dbraw/zinc/43/64/14/572436414.db2.gz JOASQFOCFCAAAB-UHFFFAOYSA-N -1 3 266.247 3.329 20 0 CGADHM COc1cccc(Sc2nc3ccccc3c(=O)[n-]2)c1 ZINC000731921865 572437174 /nfs/dbraw/zinc/43/71/74/572437174.db2.gz UCNVYFHUBVYOOX-UHFFFAOYSA-N -1 3 284.340 3.495 20 0 CGADHM C[C@H](c1ccccc1Cl)N1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000739058729 572456905 /nfs/dbraw/zinc/45/69/05/572456905.db2.gz MXYJCQRUCJMMFY-NEPJUHHUSA-N -1 3 296.798 3.333 20 0 CGADHM CC(C)(C)c1cc(NC(=O)c2cc([O-])ccc2Cl)n[nH]1 ZINC000232518055 572486122 /nfs/dbraw/zinc/48/61/22/572486122.db2.gz DCFUHKXPDHLAOD-UHFFFAOYSA-N -1 3 293.754 3.319 20 0 CGADHM COCc1ccc(CNCc2ccc([O-])c(Cl)c2)cc1 ZINC000733324034 572555285 /nfs/dbraw/zinc/55/52/85/572555285.db2.gz GBOZWFQUBNDJAT-UHFFFAOYSA-N -1 3 291.778 3.482 20 0 CGADHM O=c1ccnc(C=Cc2cccc(C(F)(F)F)c2)[n-]1 ZINC000742221804 572558902 /nfs/dbraw/zinc/55/89/02/572558902.db2.gz UABIREHYGCIPNM-PLNGDYQASA-N -1 3 266.222 3.371 20 0 CGADHM CCCOc1ccc(C=Cc2nccc(=O)[n-]2)cc1OC ZINC000742219903 572558940 /nfs/dbraw/zinc/55/89/40/572558940.db2.gz IODANNLCWJZNEJ-FNORWQNLSA-N -1 3 286.331 3.150 20 0 CGADHM CC(C)CCN(c1cccc(F)c1-c1nnn[n-]1)C1CC1 ZINC000735811840 572741188 /nfs/dbraw/zinc/74/11/88/572741188.db2.gz XENHTLNTSRLAPQ-UHFFFAOYSA-N -1 3 289.358 3.021 20 0 CGADHM CC(C)CCN(c1cccc(F)c1-c1nn[n-]n1)C1CC1 ZINC000735811840 572741190 /nfs/dbraw/zinc/74/11/90/572741190.db2.gz XENHTLNTSRLAPQ-UHFFFAOYSA-N -1 3 289.358 3.021 20 0 CGADHM CC(C)C[C@H]1CCCN1c1cccc(F)c1-c1nnn[n-]1 ZINC000735796257 572742269 /nfs/dbraw/zinc/74/22/69/572742269.db2.gz YDUVLNOVKYEBHL-LLVKDONJSA-N -1 3 289.358 3.021 20 0 CGADHM CC(C)C[C@H]1CCCN1c1cccc(F)c1-c1nn[n-]n1 ZINC000735796257 572742271 /nfs/dbraw/zinc/74/22/71/572742271.db2.gz YDUVLNOVKYEBHL-LLVKDONJSA-N -1 3 289.358 3.021 20 0 CGADHM C[C@H](OC(=O)c1ccc(Cl)cc1[O-])c1ccncc1 ZINC000735962858 572753853 /nfs/dbraw/zinc/75/38/53/572753853.db2.gz SAIILMWLUVDSJJ-VIFPVBQESA-N -1 3 277.707 3.359 20 0 CGADHM CCc1noc([C@@H](C)OC(=O)c2cc3ccsc3[n-]2)n1 ZINC000744543186 572762370 /nfs/dbraw/zinc/76/23/70/572762370.db2.gz UDAYWUXQQAJWPD-SSDOTTSWSA-N -1 3 291.332 3.093 20 0 CGADHM C[C@H]1CCCC[C@H]1CC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000736264122 572778256 /nfs/dbraw/zinc/77/82/56/572778256.db2.gz UKANDSHICFHEOV-RYUDHWBXSA-N -1 3 299.378 3.022 20 0 CGADHM C[C@H]1CCCC[C@H]1CC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000736264122 572778260 /nfs/dbraw/zinc/77/82/60/572778260.db2.gz UKANDSHICFHEOV-RYUDHWBXSA-N -1 3 299.378 3.022 20 0 CGADHM C[C@@H]1CN(c2cccc(F)c2-c2nnn[n-]2)c2ccccc21 ZINC000736295967 572779728 /nfs/dbraw/zinc/77/97/28/572779728.db2.gz ZERDYLYLIDOLKY-SNVBAGLBSA-N -1 3 295.321 3.261 20 0 CGADHM C[C@@H]1CN(c2cccc(F)c2-c2nn[n-]n2)c2ccccc21 ZINC000736295967 572779733 /nfs/dbraw/zinc/77/97/33/572779733.db2.gz ZERDYLYLIDOLKY-SNVBAGLBSA-N -1 3 295.321 3.261 20 0 CGADHM CCC[C@H]1CCCC[C@H]1Nc1ccc(-c2nnn[n-]2)cn1 ZINC000736435780 572791363 /nfs/dbraw/zinc/79/13/63/572791363.db2.gz OAEOPEMEMDDWFA-WCQYABFASA-N -1 3 286.383 3.033 20 0 CGADHM CCC[C@H]1CCCC[C@H]1Nc1ccc(-c2nn[n-]n2)cn1 ZINC000736435780 572791368 /nfs/dbraw/zinc/79/13/68/572791368.db2.gz OAEOPEMEMDDWFA-WCQYABFASA-N -1 3 286.383 3.033 20 0 CGADHM C[C@@H](COC(=O)c1cc(-c2ccco2)n[n-]1)C(F)(F)F ZINC000748239523 572969889 /nfs/dbraw/zinc/96/98/89/572969889.db2.gz ORMQYANVSFEMRF-ZETCQYMHSA-N -1 3 288.225 3.025 20 0 CGADHM C[C@@H](COC(=O)c1cc(-c2ccco2)[n-]n1)C(F)(F)F ZINC000748239523 572969892 /nfs/dbraw/zinc/96/98/92/572969892.db2.gz ORMQYANVSFEMRF-ZETCQYMHSA-N -1 3 288.225 3.025 20 0 CGADHM CCS[C@@H](C(=O)[N-]c1cc(C(F)(F)F)no1)C(C)C ZINC000748354069 572975189 /nfs/dbraw/zinc/97/51/89/572975189.db2.gz BEXSOJQNSLZMBU-SECBINFHSA-N -1 3 296.314 3.410 20 0 CGADHM Cc1noc(C)c1COC(=O)c1cc(F)cc(Cl)c1[O-] ZINC000748477402 572978371 /nfs/dbraw/zinc/97/83/71/572978371.db2.gz TZTQYRYZWGXJDQ-UHFFFAOYSA-N -1 3 299.685 3.147 20 0 CGADHM CC(C)[C@H](C)SCc1ccc(-c2nnn[n-]2)cc1 ZINC000820020687 599130268 /nfs/dbraw/zinc/13/02/68/599130268.db2.gz JWPYNZYHXMJBEP-JTQLQIEISA-N -1 3 262.382 3.144 20 0 CGADHM CC(C)[C@H](C)SCc1ccc(-c2nn[n-]n2)cc1 ZINC000820020687 599130269 /nfs/dbraw/zinc/13/02/69/599130269.db2.gz JWPYNZYHXMJBEP-JTQLQIEISA-N -1 3 262.382 3.144 20 0 CGADHM Cc1nc([C@H](C)NCCCCCC(=O)[O-])c(C)s1 ZINC000821165597 597371894 /nfs/dbraw/zinc/37/18/94/597371894.db2.gz SLDSJDDUEUOWGW-VIFPVBQESA-N -1 3 270.398 3.056 20 0 CGADHM O=C([O-])c1cccc(CN[C@@H]2CCc3ccc(F)cc32)c1 ZINC000821551667 598192301 /nfs/dbraw/zinc/19/23/01/598192301.db2.gz RKLYGLFPPGSAGY-MRXNPFEDSA-N -1 3 285.318 3.301 20 0 CGADHM CCOCc1ccccc1CNCc1cccc(C(=O)[O-])c1 ZINC000262498981 598202501 /nfs/dbraw/zinc/20/25/01/598202501.db2.gz LUBUKYGNZXWYBG-UHFFFAOYSA-N -1 3 299.370 3.211 20 0 CGADHM CCCCNc1ccc(C(F)(F)F)c(-c2nnn[n-]2)c1 ZINC000821071455 607344660 /nfs/dbraw/zinc/34/46/60/607344660.db2.gz FPFIAMMHHOITAR-UHFFFAOYSA-N -1 3 285.273 3.098 20 0 CGADHM CCCCNc1ccc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC000821071455 607344661 /nfs/dbraw/zinc/34/46/61/607344661.db2.gz FPFIAMMHHOITAR-UHFFFAOYSA-N -1 3 285.273 3.098 20 0 CGADHM Clc1ccc(-c2nnn[n-]2)c(NCCc2ccccc2)c1 ZINC000737570666 598628997 /nfs/dbraw/zinc/62/89/97/598628997.db2.gz KDXGCSMXPFNUMZ-UHFFFAOYSA-N -1 3 299.765 3.175 20 0 CGADHM Clc1ccc(-c2nn[n-]n2)c(NCCc2ccccc2)c1 ZINC000737570666 598629000 /nfs/dbraw/zinc/62/90/00/598629000.db2.gz KDXGCSMXPFNUMZ-UHFFFAOYSA-N -1 3 299.765 3.175 20 0 CGADHM C/C(=C\CN1CCS[C@H](C)[C@@H]1c1ccccc1)C(=O)[O-] ZINC000825745601 601055441 /nfs/dbraw/zinc/05/54/41/601055441.db2.gz ANPRWXCITFQSLX-OSEPDQNXSA-N -1 3 291.416 3.196 20 0 CGADHM C/C(=C\CN1CC=C(c2ccc(C)cc2)CC1)C(=O)[O-] ZINC000825736033 601155093 /nfs/dbraw/zinc/15/50/93/601155093.db2.gz UPXJMDWJAOEZIW-VGOFMYFVSA-N -1 3 271.360 3.115 20 0 CGADHM C/C(=C\CN1CC[C@H](C)C[C@@H]1c1ccco1)C(=O)[O-] ZINC000825735018 601178819 /nfs/dbraw/zinc/17/88/19/601178819.db2.gz MPWHGJFKHJZKJX-FTKQDORFSA-N -1 3 263.337 3.084 20 0 CGADHM Cc1ncc(CN[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])s1 ZINC000833008573 601203621 /nfs/dbraw/zinc/20/36/21/601203621.db2.gz JZAZTPRGJBAYKB-IINYFYTJSA-N -1 3 290.388 3.003 20 0 CGADHM CC[C@](C)(CC(=O)[O-])NCc1cc(-c2cccs2)on1 ZINC000828665680 602219275 /nfs/dbraw/zinc/21/92/75/602219275.db2.gz WKNFJBXUYGINDZ-CQSZACIVSA-N -1 3 294.376 3.136 20 0 CGADHM Cc1[n-]n(CCCOCc2ccccc2)c(=O)c1C(C)C ZINC000899358234 620662751 /nfs/dbraw/zinc/66/27/51/620662751.db2.gz SUNXDTMCGDKCSA-INIZCTEOSA-N -1 3 288.391 3.084 20 0 CGADHM C[C@H](CSc1ccccc1-c1nnn[n-]1)C(F)(F)F ZINC000824449544 607657353 /nfs/dbraw/zinc/65/73/53/607657353.db2.gz NYTFUVNRWHNGFH-SSDOTTSWSA-N -1 3 288.298 3.157 20 0 CGADHM C[C@H](CSc1ccccc1-c1nn[n-]n1)C(F)(F)F ZINC000824449544 607657355 /nfs/dbraw/zinc/65/73/55/607657355.db2.gz NYTFUVNRWHNGFH-SSDOTTSWSA-N -1 3 288.298 3.157 20 0 CGADHM CCc1[n-]n(C2CCC(F)(F)CC2)c(=O)c1C(C)C ZINC000899366340 620675772 /nfs/dbraw/zinc/67/57/72/620675772.db2.gz KYBSHRZQQDCXKF-GFCCVEGCSA-N -1 3 272.339 3.445 20 0 CGADHM Cc1nc(C(C)(C)C)sc1[C@@H](C)NCCN(C)C(=O)[O-] ZINC000830704713 604955497 /nfs/dbraw/zinc/95/54/97/604955497.db2.gz PSSUYAQSORMFIF-SECBINFHSA-N -1 3 299.440 3.009 20 0 CGADHM CCc1cnccc1[C@H](C)NCc1ccccc1CC(=O)[O-] ZINC000833674328 605270670 /nfs/dbraw/zinc/27/06/70/605270670.db2.gz SESPXLHGGRKUJK-ZDUSSCGKSA-N -1 3 298.386 3.122 20 0 CGADHM O=C([O-])N[C@H]1C[C@H](NCc2cccs2)c2ccccc21 ZINC000834157467 605788990 /nfs/dbraw/zinc/78/89/90/605788990.db2.gz HUZKZYKMWMKPCN-KBPBESRZSA-N -1 3 288.372 3.291 20 0 CGADHM C[C@H]1CC[C@H](C)N(Cc2cc(C(=O)[O-])ccc2F)C1 ZINC000088712499 605836540 /nfs/dbraw/zinc/83/65/40/605836540.db2.gz QUSGMCXNPIPITI-QWRGUYRKSA-N -1 3 265.328 3.144 20 0 CGADHM C[C@@H]1CC[C@@H](C)N(Cc2cc(C(=O)[O-])ccc2F)C1 ZINC000088712500 605836905 /nfs/dbraw/zinc/83/69/05/605836905.db2.gz QUSGMCXNPIPITI-GHMZBOCLSA-N -1 3 265.328 3.144 20 0 CGADHM CC(C)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000820044257 606725169 /nfs/dbraw/zinc/72/51/69/606725169.db2.gz DVWPLKLLZJYMLC-SNVBAGLBSA-N -1 3 291.786 3.002 20 0 CGADHM CC(C)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000820044257 606725170 /nfs/dbraw/zinc/72/51/70/606725170.db2.gz DVWPLKLLZJYMLC-SNVBAGLBSA-N -1 3 291.786 3.002 20 0 CGADHM Clc1ccc(-c2nnn[n-]2)c(O[C@@H]2C=CCCC2)c1 ZINC000822568691 606787322 /nfs/dbraw/zinc/78/73/22/606787322.db2.gz WIGNUWQTKVOYLN-SNVBAGLBSA-N -1 3 276.727 3.008 20 0 CGADHM Clc1ccc(-c2nn[n-]n2)c(O[C@@H]2C=CCCC2)c1 ZINC000822568691 606787323 /nfs/dbraw/zinc/78/73/23/606787323.db2.gz WIGNUWQTKVOYLN-SNVBAGLBSA-N -1 3 276.727 3.008 20 0 CGADHM CCC1(C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)CCCC1 ZINC000820945384 606789588 /nfs/dbraw/zinc/78/95/88/606789588.db2.gz SAUXJKIEJBMGHH-UHFFFAOYSA-N -1 3 299.378 3.084 20 0 CGADHM CCC1(C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)CCCC1 ZINC000820945384 606789589 /nfs/dbraw/zinc/78/95/89/606789589.db2.gz SAUXJKIEJBMGHH-UHFFFAOYSA-N -1 3 299.378 3.084 20 0 CGADHM CC(C)(C)OCCCSc1ccc(-c2nnn[n-]2)cc1 ZINC000819950314 606793515 /nfs/dbraw/zinc/79/35/15/606793515.db2.gz IHFMAQVFFJDGHH-UHFFFAOYSA-N -1 3 292.408 3.164 20 0 CGADHM CC(C)(C)OCCCSc1ccc(-c2nn[n-]n2)cc1 ZINC000819950314 606793518 /nfs/dbraw/zinc/79/35/18/606793518.db2.gz IHFMAQVFFJDGHH-UHFFFAOYSA-N -1 3 292.408 3.164 20 0 CGADHM CC[C@H](C)CSc1ncc(-c2nnn[n-]2)cc1Cl ZINC000820869588 606799491 /nfs/dbraw/zinc/79/94/91/606799491.db2.gz IBSNSFVAXZUJDS-ZETCQYMHSA-N -1 3 283.788 3.053 20 0 CGADHM CC[C@H](C)CSc1ncc(-c2nn[n-]n2)cc1Cl ZINC000820869588 606799492 /nfs/dbraw/zinc/79/94/92/606799492.db2.gz IBSNSFVAXZUJDS-ZETCQYMHSA-N -1 3 283.788 3.053 20 0 CGADHM Fc1cc(-c2nnn[n-]2)ccc1OC/C=C/c1ccccc1 ZINC000822748200 607138437 /nfs/dbraw/zinc/13/84/37/607138437.db2.gz MXXODVJPDNCFNC-QPJJXVBHSA-N -1 3 296.305 3.098 20 0 CGADHM Fc1cc(-c2nn[n-]n2)ccc1OC/C=C/c1ccccc1 ZINC000822748200 607138439 /nfs/dbraw/zinc/13/84/39/607138439.db2.gz MXXODVJPDNCFNC-QPJJXVBHSA-N -1 3 296.305 3.098 20 0 CGADHM Clc1ccc(Cl)c(Cn2ccc(-c3nnn[n-]3)c2)c1 ZINC000826352180 607890568 /nfs/dbraw/zinc/89/05/68/607890568.db2.gz QONIBLKCKLWSMV-UHFFFAOYSA-N -1 3 294.145 3.023 20 0 CGADHM Clc1ccc(Cl)c(Cn2ccc(-c3nn[n-]n3)c2)c1 ZINC000826352180 607890569 /nfs/dbraw/zinc/89/05/69/607890569.db2.gz QONIBLKCKLWSMV-UHFFFAOYSA-N -1 3 294.145 3.023 20 0 CGADHM C[C@H](Nc1cccc(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824662532 609160717 /nfs/dbraw/zinc/16/07/17/609160717.db2.gz MKKGQOTZOGATDX-JTQLQIEISA-N -1 3 283.310 3.179 20 0 CGADHM C[C@H](Nc1cccc(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824662532 609160718 /nfs/dbraw/zinc/16/07/18/609160718.db2.gz MKKGQOTZOGATDX-JTQLQIEISA-N -1 3 283.310 3.179 20 0 CGADHM COc1cccc(N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000826216886 609161265 /nfs/dbraw/zinc/16/12/65/609161265.db2.gz QVQCMVMBORAMLG-LLVKDONJSA-N -1 3 295.346 3.048 20 0 CGADHM COc1cccc(N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000826216886 609161266 /nfs/dbraw/zinc/16/12/66/609161266.db2.gz QVQCMVMBORAMLG-LLVKDONJSA-N -1 3 295.346 3.048 20 0 CGADHM C[C@H](SCc1ccccn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824756858 609183414 /nfs/dbraw/zinc/18/34/14/609183414.db2.gz QWNJWZDXHCYZGI-NSHDSACASA-N -1 3 297.387 3.256 20 0 CGADHM C[C@H](SCc1ccccn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824756858 609183416 /nfs/dbraw/zinc/18/34/16/609183416.db2.gz QWNJWZDXHCYZGI-NSHDSACASA-N -1 3 297.387 3.256 20 0 CGADHM Fc1cccc(CCCNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826376744 609438702 /nfs/dbraw/zinc/43/87/02/609438702.db2.gz PWUIXAOXYDECJW-UHFFFAOYSA-N -1 3 297.337 3.051 20 0 CGADHM Fc1cccc(CCCNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826376744 609438705 /nfs/dbraw/zinc/43/87/05/609438705.db2.gz PWUIXAOXYDECJW-UHFFFAOYSA-N -1 3 297.337 3.051 20 0 CGADHM Cc1ccc(CNc2cc(-c3nnn[n-]3)ccc2C)cc1F ZINC000826288357 609480415 /nfs/dbraw/zinc/48/04/15/609480415.db2.gz CRJZEYIIHOVOEB-UHFFFAOYSA-N -1 3 297.337 3.235 20 0 CGADHM Cc1ccc(CNc2cc(-c3nn[n-]n3)ccc2C)cc1F ZINC000826288357 609480417 /nfs/dbraw/zinc/48/04/17/609480417.db2.gz CRJZEYIIHOVOEB-UHFFFAOYSA-N -1 3 297.337 3.235 20 0 CGADHM CCOCCOC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000810537898 630886284 /nfs/dbraw/zinc/88/62/84/630886284.db2.gz LRTXGMHVMUGZMV-UHFFFAOYSA-N -1 3 273.741 3.076 20 0 CGADHM CC(C)c1ocnc1C(=O)[N-]c1ccnc(Cl)c1F ZINC000891507747 618234198 /nfs/dbraw/zinc/23/41/98/618234198.db2.gz VMGVOYUNNZJVQW-UHFFFAOYSA-N -1 3 283.690 3.238 20 0 CGADHM [O-]c1ccc(CN2CCO[C@H](c3ccsc3)C2)cc1F ZINC000892139767 618554720 /nfs/dbraw/zinc/55/47/20/618554720.db2.gz CWBSBOAPCNZGJR-HNNXBMFYSA-N -1 3 293.363 3.166 20 0 CGADHM CCc1cnc(CN(C)Cc2ccc([O-])c(F)c2)s1 ZINC000892148740 618557690 /nfs/dbraw/zinc/55/76/90/618557690.db2.gz LILHSCCNJPFSCV-UHFFFAOYSA-N -1 3 280.368 3.182 20 0 CGADHM COc1cccc(C[C@@H](C)CC(=O)[N-]OC/C=C/Cl)c1 ZINC000936059664 618933034 /nfs/dbraw/zinc/93/30/34/618933034.db2.gz NTLBQHOBGTWPBQ-RPTYSRGTSA-N -1 3 297.782 3.064 20 0 CGADHM CC1(CC(=O)[N-]OCCC(F)(F)F)CCCCC1 ZINC000162833103 619220115 /nfs/dbraw/zinc/22/01/15/619220115.db2.gz YGEHMPUTLMIQLG-UHFFFAOYSA-N -1 3 267.291 3.347 20 0 CGADHM O=C([O-])c1coc(CNCCc2ccc(Cl)s2)c1 ZINC000226285574 619274195 /nfs/dbraw/zinc/27/41/95/619274195.db2.gz DNBPTBZZLNNSTB-UHFFFAOYSA-N -1 3 285.752 3.025 20 0 CGADHM O=C(CCc1ccc(F)cc1F)[N-]OCc1ccccc1 ZINC000178982399 619722776 /nfs/dbraw/zinc/72/27/76/619722776.db2.gz LBOSLEFOKXPBBY-UHFFFAOYSA-N -1 3 291.297 3.145 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)C[C@@H](C)c1ccccc1F ZINC000794851665 619776947 /nfs/dbraw/zinc/77/69/47/619776947.db2.gz HCPYGFHUQKPZEQ-NWDGAFQWSA-N -1 3 267.344 3.413 20 0 CGADHM O=C([O-])C1CCN(Cc2c(Cl)oc3ccccc32)CC1 ZINC000263441292 620319241 /nfs/dbraw/zinc/31/92/41/620319241.db2.gz WPDNNMUPTJIGKL-UHFFFAOYSA-N -1 3 293.750 3.383 20 0 CGADHM CC(C)Cn1ccc(C(=O)Nc2c([O-])cccc2Cl)n1 ZINC000897845427 620439066 /nfs/dbraw/zinc/43/90/66/620439066.db2.gz DONLZLGPJUULAX-UHFFFAOYSA-N -1 3 293.754 3.150 20 0 CGADHM O=C(c1ccccc1[O-])N1CC2(CCC2)[C@@H]1c1cccnc1 ZINC000898404751 620582548 /nfs/dbraw/zinc/58/25/48/620582548.db2.gz ANFMWPFWOMNPKU-INIZCTEOSA-N -1 3 294.354 3.155 20 0 CGADHM CC(C)CCn1cccc1CN1CCC(CC(=O)[O-])CC1 ZINC000901418776 620882058 /nfs/dbraw/zinc/88/20/58/620882058.db2.gz DDYLZUHNLXRWKO-UHFFFAOYSA-N -1 3 292.423 3.221 20 0 CGADHM CC(C)c1cnc(CN2CC[C@](C(=O)[O-])(C(C)C)C2)s1 ZINC000901464951 620895057 /nfs/dbraw/zinc/89/50/57/620895057.db2.gz PPHMFLZPWSBIGX-OAHLLOKOSA-N -1 3 296.436 3.199 20 0 CGADHM CC(C)n1cncc1C=Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000901506343 620905098 /nfs/dbraw/zinc/90/50/98/620905098.db2.gz JYIIAGGRRPALNC-WAYWQWQTSA-N -1 3 270.336 3.007 20 0 CGADHM CC(C)c1ncc(CN2CCC[C@H](CCC(=O)[O-])C2)s1 ZINC000901551946 620936542 /nfs/dbraw/zinc/93/65/42/620936542.db2.gz KSPBWGYFTQKSRM-GFCCVEGCSA-N -1 3 296.436 3.343 20 0 CGADHM CCN(CCC(=O)[O-])Cc1cscc1C(F)(F)F ZINC000901602464 620950455 /nfs/dbraw/zinc/95/04/55/620950455.db2.gz TZOVUTPCCCPAMV-UHFFFAOYSA-N -1 3 281.299 3.064 20 0 CGADHM Cc1ccc(CN2CC3(CCC3)[C@@](F)(C(=O)[O-])C2)c(C)c1 ZINC000901914323 621061603 /nfs/dbraw/zinc/06/16/03/621061603.db2.gz HPPNHKRWCJJJGV-KRWDZBQOSA-N -1 3 291.366 3.082 20 0 CGADHM CCCc1ccc(CN(CC(=O)[O-])[C@H](C)CC)s1 ZINC000901986757 621086975 /nfs/dbraw/zinc/08/69/75/621086975.db2.gz CEYUIUGGVDWUIX-LLVKDONJSA-N -1 3 269.410 3.386 20 0 CGADHM O=C([O-])c1occc1CN[C@H](c1cccs1)C1CC1 ZINC000902085761 621127939 /nfs/dbraw/zinc/12/79/39/621127939.db2.gz XJJQFQJSHFPUMU-LBPRGKRZSA-N -1 3 277.345 3.280 20 0 CGADHM O=C([O-])/C=C/c1ccc(CNC2(Cc3ccccc3)CC2)o1 ZINC000902269683 621234316 /nfs/dbraw/zinc/23/43/16/621234316.db2.gz GYECWMYRWPFMNJ-CMDGGOBGSA-N -1 3 297.354 3.242 20 0 CGADHM COC[C@@H](N[C@@H](C)CC(C)(C)CC(=O)[O-])c1ccc(C)o1 ZINC000902271740 621236279 /nfs/dbraw/zinc/23/62/79/621236279.db2.gz KVUBALVKIYRBAM-WCQYABFASA-N -1 3 297.395 3.145 20 0 CGADHM O=C([O-])c1ccccc1-c1ccc(CN[C@H]2CC23CC3)o1 ZINC000902274668 621238095 /nfs/dbraw/zinc/23/80/95/621238095.db2.gz YOUKPTDGWBIFQZ-HNNXBMFYSA-N -1 3 283.327 3.287 20 0 CGADHM COc1ccc(C(=O)[O-])cc1CN1CCCC(F)(F)CC1 ZINC000903606281 621770265 /nfs/dbraw/zinc/77/02/65/621770265.db2.gz ISJUVASMUBERCV-UHFFFAOYSA-N -1 3 299.317 3.015 20 0 CGADHM CC[C@H](c1ccc(F)cc1F)N1CC[C@H]2[C@@H](C1)[C@H]2C(=O)[O-] ZINC000903627634 621777920 /nfs/dbraw/zinc/77/79/20/621777920.db2.gz PKGPWNMEKHKIOH-BTQDYEIMSA-N -1 3 295.329 3.068 20 0 CGADHM CSCCCCc1noc(-c2ccc(C)cc2[O-])n1 ZINC000903785226 621808110 /nfs/dbraw/zinc/80/81/10/621808110.db2.gz IMPWMUZDWCJBTI-UHFFFAOYSA-N -1 3 278.377 3.436 20 0 CGADHM CCc1ccc(-c2nc([C@H](C)[C@H]3CCCO3)no2)c([O-])c1 ZINC000903819845 621815480 /nfs/dbraw/zinc/81/54/80/621815480.db2.gz LFJQWRXGLWHLHM-QMTHXVAHSA-N -1 3 288.347 3.287 20 0 CGADHM Cc1ccc([C@@H](C)N(C)Cc2cncc(C(=O)[O-])c2)cc1 ZINC000903887444 621822077 /nfs/dbraw/zinc/82/20/77/621822077.db2.gz RQADNMDVMRVQPH-CYBMUJFWSA-N -1 3 284.359 3.281 20 0 CGADHM CCCCCCN1CCOc2c(cccc2C(=O)[O-])C1 ZINC000903919732 621832744 /nfs/dbraw/zinc/83/27/44/621832744.db2.gz CNMOFDZTWRDLPV-UHFFFAOYSA-N -1 3 277.364 3.160 20 0 CGADHM C[C@@H]1C[C@H](C)N(Cc2ccc(F)cc2F)[C@@H](C)[C@H]1C(=O)[O-] ZINC000903951273 621841952 /nfs/dbraw/zinc/84/19/52/621841952.db2.gz SYYPZABXQTYPRG-LMCGPQHNSA-N -1 3 297.345 3.284 20 0 CGADHM CC[C@H](C)CONC(=O)N([O-])Cc1ccccc1Cl ZINC000904187922 621882255 /nfs/dbraw/zinc/88/22/55/621882255.db2.gz WZSBHBTXHOLCCY-JTQLQIEISA-N -1 3 286.759 3.219 20 0 CGADHM [O-]c1ccc(Cc2nc(CCc3ccccc3)no2)cc1F ZINC000904581045 621936112 /nfs/dbraw/zinc/93/61/12/621936112.db2.gz AHGVILOVPVZNRN-UHFFFAOYSA-N -1 3 298.317 3.290 20 0 CGADHM CC(C)[C@@H](NCc1ccc(C(=O)[O-])cn1)c1ccccc1 ZINC000905719376 622098699 /nfs/dbraw/zinc/09/86/99/622098699.db2.gz QUTYNRQJZBLQGP-MRXNPFEDSA-N -1 3 284.359 3.267 20 0 CGADHM CC(C)c1cnc(CN[C@H](CC(=O)[O-])C(C)(C)C)s1 ZINC000905790340 622110088 /nfs/dbraw/zinc/11/00/88/622110088.db2.gz RIEGYKCKPBEURE-LLVKDONJSA-N -1 3 284.425 3.246 20 0 CGADHM CC(=O)CCCCCNC(=O)c1cc([O-])c2ccccc2c1 ZINC000909105026 622395519 /nfs/dbraw/zinc/39/55/19/622395519.db2.gz URZAVVIHQWFRDD-UHFFFAOYSA-N -1 3 299.370 3.425 20 0 CGADHM CSCCCOC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000174493465 623399631 /nfs/dbraw/zinc/39/96/31/623399631.db2.gz BKYGQHZYJWUGIM-UHFFFAOYSA-N -1 3 268.165 3.231 20 0 CGADHM O=C([N-]Cc1ccc(F)cc1F)C(F)(F)c1ccccc1 ZINC000916046648 624103998 /nfs/dbraw/zinc/10/39/98/624103998.db2.gz WTEBYVIVRRPIEH-UHFFFAOYSA-N -1 3 297.251 3.373 20 0 CGADHM CCCCCOC(=O)c1cc(-c2ccc(C)o2)[n-]n1 ZINC000919329304 624401678 /nfs/dbraw/zinc/40/16/78/624401678.db2.gz WBLGEKQPAYZIEH-UHFFFAOYSA-N -1 3 262.309 3.325 20 0 CGADHM CCCCCOC(=O)c1cc(-c2ccc(C)o2)n[n-]1 ZINC000919329304 624401680 /nfs/dbraw/zinc/40/16/80/624401680.db2.gz WBLGEKQPAYZIEH-UHFFFAOYSA-N -1 3 262.309 3.325 20 0 CGADHM Cc1ccc(-c2cc(C(=O)O[C@H](C)C(F)(F)F)n[n-]2)o1 ZINC000174928764 624604702 /nfs/dbraw/zinc/60/47/02/624604702.db2.gz UOVMVKIBTGWBOE-SSDOTTSWSA-N -1 3 288.225 3.086 20 0 CGADHM Cc1ccc(-c2cc(C(=O)O[C@H](C)C(F)(F)F)[n-]n2)o1 ZINC000174928764 624604707 /nfs/dbraw/zinc/60/47/07/624604707.db2.gz UOVMVKIBTGWBOE-SSDOTTSWSA-N -1 3 288.225 3.086 20 0 CGADHM Cc1ccc(-c2cc(C(=O)O[C@@H](C)C(F)(F)F)n[n-]2)o1 ZINC000174928743 624605138 /nfs/dbraw/zinc/60/51/38/624605138.db2.gz UOVMVKIBTGWBOE-ZETCQYMHSA-N -1 3 288.225 3.086 20 0 CGADHM Cc1ccc(-c2cc(C(=O)O[C@@H](C)C(F)(F)F)[n-]n2)o1 ZINC000174928743 624605146 /nfs/dbraw/zinc/60/51/46/624605146.db2.gz UOVMVKIBTGWBOE-ZETCQYMHSA-N -1 3 288.225 3.086 20 0 CGADHM Cc1cnc(CO[N-]C(=O)CCC2CCCCC2)s1 ZINC000179905823 624696251 /nfs/dbraw/zinc/69/62/51/624696251.db2.gz ABDPAQPFYOYVPJ-UHFFFAOYSA-N -1 3 282.409 3.360 20 0 CGADHM [O-]c1cccc(CNC2([C@H]3CCCCO3)CC2)c1Cl ZINC000923027430 626122152 /nfs/dbraw/zinc/12/21/52/626122152.db2.gz CXHRCTMTZKYPHD-CYBMUJFWSA-N -1 3 281.783 3.237 20 0 CGADHM [O-]c1ccc(F)c(CN2CC(Cc3ccccc3)C2)c1F ZINC000839128237 626321324 /nfs/dbraw/zinc/32/13/24/626321324.db2.gz OVBKVBGDGTWBDJ-UHFFFAOYSA-N -1 3 289.325 3.345 20 0 CGADHM CC(C)CC(=O)COC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000751644538 626399803 /nfs/dbraw/zinc/39/98/03/626399803.db2.gz ZNSYLDMFROTXKE-UHFFFAOYSA-N -1 3 278.135 3.094 20 0 CGADHM COc1cc(C(=O)OCC2CCCCC2)cc(OC)c1[O-] ZINC000754277462 626566195 /nfs/dbraw/zinc/56/61/95/626566195.db2.gz UGMYPLZDYZPDMY-UHFFFAOYSA-N -1 3 294.347 3.147 20 0 CGADHM Cc1cc(=O)[n-]c(CSc2ccc(C)c(C)c2)n1 ZINC000754451708 626572555 /nfs/dbraw/zinc/57/25/55/626572555.db2.gz QOAZLEPFEIZLKS-UHFFFAOYSA-N -1 3 260.362 3.400 20 0 CGADHM O=C1Nc2ccc(F)cc2/C1=C\c1ccc([O-])c(F)c1 ZINC000755599240 626631143 /nfs/dbraw/zinc/63/11/43/626631143.db2.gz OOSJSGHUESAJAY-VZUCSPMQSA-N -1 3 273.238 3.163 20 0 CGADHM COc1ccccc1[C@@H](C)SCc1nc(C)cc(=O)[n-]1 ZINC000761867172 627069243 /nfs/dbraw/zinc/06/92/43/627069243.db2.gz VNMZPKULSPUJCQ-LLVKDONJSA-N -1 3 290.388 3.494 20 0 CGADHM Cc1ccc(-c2nc(C=Cc3nccc(=O)[n-]3)co2)cc1 ZINC000764436881 627207519 /nfs/dbraw/zinc/20/75/19/627207519.db2.gz WMSPONCAESILGU-SREVYHEPSA-N -1 3 279.299 3.316 20 0 CGADHM O=C1[N-]C(=O)/C(=C/c2cscc2Cl)c2ccccc21 ZINC000771851506 627736716 /nfs/dbraw/zinc/73/67/16/627736716.db2.gz WSEFGMRBOVXVPZ-VZUCSPMQSA-N -1 3 289.743 3.212 20 0 CGADHM O=C(CCSc1ccccc1F)[N-]Oc1ccccc1 ZINC000773461531 627885593 /nfs/dbraw/zinc/88/55/93/627885593.db2.gz ORQFUUJBUCJZLH-UHFFFAOYSA-N -1 3 291.347 3.418 20 0 CGADHM Cc1nc(CCOC(=O)c2cccc(Cl)c2[O-])cs1 ZINC000775935516 628151074 /nfs/dbraw/zinc/15/10/74/628151074.db2.gz ZRQDETZUCQCMRK-UHFFFAOYSA-N -1 3 297.763 3.210 20 0 CGADHM CC(Cl)(Cl)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000777428076 628269548 /nfs/dbraw/zinc/26/95/48/628269548.db2.gz BIDXKSBHXKLHHN-UHFFFAOYSA-N -1 3 268.527 3.178 20 0 CGADHM Cc1cccc2[nH]cc(CC(=O)[N-]OC3CCCCC3)c21 ZINC000777963150 628316167 /nfs/dbraw/zinc/31/61/67/628316167.db2.gz SXBUDOJCZHVBDZ-UHFFFAOYSA-N -1 3 286.375 3.399 20 0 CGADHM CCCCSCCC(=O)[N-]OC1CCCCC1 ZINC000779321373 628407597 /nfs/dbraw/zinc/40/75/97/628407597.db2.gz YNYRSRIXVHNWJQ-UHFFFAOYSA-N -1 3 259.415 3.290 20 0 CGADHM O=C1[N-]C(=O)C(=Cc2ccc(F)c(Cl)c2Cl)S1 ZINC000874928278 634653590 /nfs/dbraw/zinc/65/35/90/634653590.db2.gz NNWBSQIAZONWMZ-UTCJRWHESA-N -1 3 292.118 3.456 20 0 CGADHM COc1ccc(SCCCC(=O)[N-]OCC(C)C)cc1 ZINC000780960892 628526628 /nfs/dbraw/zinc/52/66/28/628526628.db2.gz VDUCFYSBFQVDCK-UHFFFAOYSA-N -1 3 297.420 3.271 20 0 CGADHM CCCCCC[C@H](C)C(=O)Nc1cc(C(=O)OCC)n[n-]1 ZINC000781431537 628560292 /nfs/dbraw/zinc/56/02/92/628560292.db2.gz XCPUVHDPJQHDCS-NSHDSACASA-N -1 3 295.383 3.131 20 0 CGADHM CCCCCC[C@H](C)C(=O)Nc1cc(C(=O)OCC)[n-]n1 ZINC000781431537 628560294 /nfs/dbraw/zinc/56/02/94/628560294.db2.gz XCPUVHDPJQHDCS-NSHDSACASA-N -1 3 295.383 3.131 20 0 CGADHM CCc1cccc(C(=O)Nc2ccc(O)cc2F)c1[O-] ZINC000782853472 628664736 /nfs/dbraw/zinc/66/47/36/628664736.db2.gz WUKDRRAOXONCID-UHFFFAOYSA-N -1 3 275.279 3.052 20 0 CGADHM CC(C)CO[N-]C(=O)CC1CCC(C(F)(F)F)CC1 ZINC000783059859 628676116 /nfs/dbraw/zinc/67/61/16/628676116.db2.gz KRIPUAKIQGSFPV-UHFFFAOYSA-N -1 3 281.318 3.449 20 0 CGADHM O=C(OCCCc1ccsc1)c1ccc([O-])cc1 ZINC000783096485 628677674 /nfs/dbraw/zinc/67/76/74/628677674.db2.gz RAHNINJJXZGYKZ-UHFFFAOYSA-N -1 3 262.330 3.243 20 0 CGADHM O=C(OCCC1CCC1)c1cc(-c2ccco2)[n-]n1 ZINC000783448154 628714351 /nfs/dbraw/zinc/71/43/51/628714351.db2.gz IYUQNXJBBFJFJP-UHFFFAOYSA-N -1 3 260.293 3.017 20 0 CGADHM O=C(OCCC1CCC1)c1cc(-c2ccco2)n[n-]1 ZINC000783448154 628714355 /nfs/dbraw/zinc/71/43/55/628714355.db2.gz IYUQNXJBBFJFJP-UHFFFAOYSA-N -1 3 260.293 3.017 20 0 CGADHM C[C@@H]1C[C@@H](COC(=O)c2cccc(Cl)c2[O-])CCO1 ZINC000784564758 628821785 /nfs/dbraw/zinc/82/17/85/628821785.db2.gz VHUDQMAKPRIJAQ-ZJUUUORDSA-N -1 3 284.739 3.018 20 0 CGADHM COc1ccc(CCOC(=O)c2cc3occc3[n-]2)cc1 ZINC000786031145 628908788 /nfs/dbraw/zinc/90/87/88/628908788.db2.gz OBFXQKNDQHCAOO-UHFFFAOYSA-N -1 3 285.299 3.169 20 0 CGADHM O=C(OCCOc1cccc(F)c1)c1cc2occc2[n-]1 ZINC000786032295 628909015 /nfs/dbraw/zinc/90/90/15/628909015.db2.gz YTWRNGHZFRUZRY-UHFFFAOYSA-N -1 3 289.262 3.136 20 0 CGADHM CC(=O)Oc1ccc(COC(=O)c2cc3occc3[n-]2)cc1 ZINC000786033777 628909078 /nfs/dbraw/zinc/90/90/78/628909078.db2.gz MXJXXMKFBXXLGP-UHFFFAOYSA-N -1 3 299.282 3.043 20 0 CGADHM Cc1cc(COC(=O)c2cc3sccc3c([O-])c2)no1 ZINC000786136226 628915980 /nfs/dbraw/zinc/91/59/80/628915980.db2.gz FNUXUVOJNYSCEK-UHFFFAOYSA-N -1 3 289.312 3.260 20 0 CGADHM C[C@@H](NC(=O)c1cc2sccc2c([O-])c1)C1CC1 ZINC000788274223 629044680 /nfs/dbraw/zinc/04/46/80/629044680.db2.gz KHZBNQWLDVSLHV-MRVPVSSYSA-N -1 3 261.346 3.135 20 0 CGADHM C[C@@H]1CN(C(=O)c2cc3sccc3c([O-])c2)CCS1 ZINC000791353615 629269349 /nfs/dbraw/zinc/26/93/49/629269349.db2.gz RCPAFGSRTJZUDK-SECBINFHSA-N -1 3 293.413 3.184 20 0 CGADHM CCN(C[C@H]1CCOC1)C(=O)c1cc([O-])c2ccccc2c1 ZINC000792087071 629335798 /nfs/dbraw/zinc/33/57/98/629335798.db2.gz XWWOZYHYCMVCAA-CYBMUJFWSA-N -1 3 299.370 3.044 20 0 CGADHM CSc1cc(O)ccc1[N-]C(=O)c1ccnc(F)c1F ZINC000792480748 629362202 /nfs/dbraw/zinc/36/22/02/629362202.db2.gz MSAQVYPBHGUGMG-UHFFFAOYSA-N -1 3 296.298 3.040 20 0 CGADHM CCOCCO[N-]C(=O)C[C@H]1C[C@H](C)c2c1cccc2C ZINC000792608816 629370428 /nfs/dbraw/zinc/37/04/28/629370428.db2.gz SZWHJGMNRIUNOU-UONOGXRCSA-N -1 3 291.391 3.060 20 0 CGADHM CSCCO[N-]C(=O)C[C@H](c1ccccc1)C(C)C ZINC000794181537 629520190 /nfs/dbraw/zinc/52/01/90/629520190.db2.gz VFRZBWRXAFDQFE-AWEZNQCLSA-N -1 3 281.421 3.227 20 0 CGADHM CSCCO[N-]C(=O)CCSc1ccc(C)c(C)c1 ZINC000794187045 629520331 /nfs/dbraw/zinc/52/03/31/629520331.db2.gz BCPLIWNUCFRXRX-UHFFFAOYSA-N -1 3 299.461 3.196 20 0 CGADHM O=C(NOC/C=C\Cl)c1cc2sccc2c([O-])c1 ZINC000794296827 629531041 /nfs/dbraw/zinc/53/10/41/629531041.db2.gz OWNLFSUZZMYHJS-IWQZZHSRSA-N -1 3 283.736 3.021 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)CCCOc1cccc(F)c1 ZINC000794876689 629592861 /nfs/dbraw/zinc/59/28/61/629592861.db2.gz WIGWUPOMCSUCMV-LBPRGKRZSA-N -1 3 283.343 3.079 20 0 CGADHM O=C([N-]O[C@@H]1CCCCO1)[C@@H]1CCC[C@H]2CCCC[C@@H]21 ZINC000795897222 629724439 /nfs/dbraw/zinc/72/44/39/629724439.db2.gz RWWDTVLLDSRCER-LXTVHRRPSA-N -1 3 281.396 3.167 20 0 CGADHM CC(C)[C@H](Cc1ccccc1)C(=O)[N-]O[C@H]1CCCCO1 ZINC000120471021 630040999 /nfs/dbraw/zinc/04/09/99/630040999.db2.gz LYKBAXHVAVADCH-HOTGVXAUSA-N -1 3 291.391 3.076 20 0 CGADHM O=C(Cc1coc2cc3c(cc12)CCC3)[N-]OC1CCC1 ZINC000836797904 634803983 /nfs/dbraw/zinc/80/39/83/634803983.db2.gz CJEMIBCSFJIBLH-UHFFFAOYSA-N -1 3 285.343 3.064 20 0 CGADHM O=C(OC[C@H]1Cc2ccccc21)c1cc2occc2[n-]1 ZINC000803500003 630483395 /nfs/dbraw/zinc/48/33/95/630483395.db2.gz GQIPEGKGMWONEE-LLVKDONJSA-N -1 3 267.284 3.258 20 0 CGADHM COCCCCOC(=O)c1cc2sccc2c([O-])c1 ZINC000803502360 630483562 /nfs/dbraw/zinc/48/35/62/630483562.db2.gz OGDSOSKDSKIFFZ-UHFFFAOYSA-N -1 3 280.345 3.190 20 0 CGADHM CCc1cccc(C(=O)N(CC(C)(C)C)OC)c1[O-] ZINC000804583631 630540188 /nfs/dbraw/zinc/54/01/88/630540188.db2.gz PJCCITDCTNVNIJ-UHFFFAOYSA-N -1 3 265.353 3.004 20 0 CGADHM O=c1cc(C=Cc2cccnc2Cl)nc(C2CC2)[n-]1 ZINC000806564116 630567071 /nfs/dbraw/zinc/56/70/71/630567071.db2.gz JRDLXPAMQYKUJX-AATRIKPKSA-N -1 3 273.723 3.278 20 0 CGADHM CCc1cc(=O)[n-]c(CSC/C(Cl)=C/Cl)n1 ZINC000808361312 630639072 /nfs/dbraw/zinc/63/90/72/630639072.db2.gz ODOBMGRRNVXWNZ-DAXSKMNVSA-N -1 3 279.192 3.297 20 0 CGADHM CCOCCCOC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000810587948 630899047 /nfs/dbraw/zinc/89/90/47/630899047.db2.gz HQCQXMRYVNZSQG-UHFFFAOYSA-N -1 3 287.768 3.466 20 0 CGADHM C[C@@H]1OCC[C@@H]1COC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000810873812 630969497 /nfs/dbraw/zinc/96/94/97/630969497.db2.gz WGCGYHGEBAZYCW-JGVFFNPUSA-N -1 3 299.779 3.465 20 0 CGADHM Cc1ncccc1COC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000810890291 630976041 /nfs/dbraw/zinc/97/60/41/630976041.db2.gz GGHZDJBMDFPXCR-UHFFFAOYSA-N -1 3 285.130 3.382 20 0 CGADHM CC(=O)[C@@H](C)OC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000811395100 631062461 /nfs/dbraw/zinc/06/24/61/631062461.db2.gz VEEHIBVNTDXBKC-ZCFIWIBFSA-N -1 3 271.725 3.017 20 0 CGADHM Cc1ccc2c(c1)/C(=C\c1ccc([O-])c(F)c1)C(=O)N2C ZINC000811696807 631111328 /nfs/dbraw/zinc/11/13/28/631111328.db2.gz AEXILAOPXWWSEX-MDWZMJQESA-N -1 3 283.302 3.357 20 0 CGADHM O=C(Cc1ccc(Cl)cc1Cl)[N-]OC/C=C\Cl ZINC000812400275 631242959 /nfs/dbraw/zinc/24/29/59/631242959.db2.gz ISAQRJGMBRDECS-RJRFIUFISA-N -1 3 294.565 3.336 20 0 CGADHM CC1(C)CCC[C@@H](CC(=O)[N-]OC/C=C/Cl)C1 ZINC000812408411 631248502 /nfs/dbraw/zinc/24/85/02/631248502.db2.gz SNRBGPDSFHTLDG-ZPMKCOPCSA-N -1 3 259.777 3.393 20 0 CGADHM O=C(C[C@H]1CCCc2ccccc21)[N-]OC1CCC1 ZINC000812795221 631313538 /nfs/dbraw/zinc/31/35/38/631313538.db2.gz YMZGQSLEOXONBC-CYBMUJFWSA-N -1 3 259.349 3.097 20 0 CGADHM O=C(CCc1ccc(-c2ccccc2)o1)[N-]OC1CCC1 ZINC000812795405 631313688 /nfs/dbraw/zinc/31/36/88/631313688.db2.gz VVSBISRATKMABV-UHFFFAOYSA-N -1 3 285.343 3.480 20 0 CGADHM CC(C)CC1(C(=O)[N-]OCCOC(C)C)CCCC1 ZINC000812804213 631317032 /nfs/dbraw/zinc/31/70/32/631317032.db2.gz KCTKBHSTNLVBOF-UHFFFAOYSA-N -1 3 271.401 3.066 20 0 CGADHM CC(C)OCCO[N-]C(=O)C[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000812808832 631318158 /nfs/dbraw/zinc/31/81/58/631318158.db2.gz LFSKNCDMOBYLLJ-KBPBESRZSA-N -1 3 285.428 3.312 20 0 CGADHM COC(=O)c1cc(C(=O)O[C@@H](C)c2ccc(C)cc2)c[n-]1 ZINC000815988512 631850742 /nfs/dbraw/zinc/85/07/42/631850742.db2.gz MJXNRRAQMDGXEO-NSHDSACASA-N -1 3 287.315 3.028 20 0 CGADHM O=C(CCc1ccc(Cl)cc1)[N-]Oc1ccccc1 ZINC000816683979 632042249 /nfs/dbraw/zinc/04/22/49/632042249.db2.gz HLDIOHSGXIVRNS-UHFFFAOYSA-N -1 3 275.735 3.383 20 0 CGADHM C=C=CCNC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000816697983 632043107 /nfs/dbraw/zinc/04/31/07/632043107.db2.gz AXKXDZDQVCASAA-UHFFFAOYSA-N -1 3 279.339 3.054 20 0 CGADHM O=C(COC1CCCCC1)Nc1c([O-])cccc1Cl ZINC000816768791 632049389 /nfs/dbraw/zinc/04/93/89/632049389.db2.gz HHXOVTJQRVSNGZ-UHFFFAOYSA-N -1 3 283.755 3.333 20 0 CGADHM COc1ccc(CCC(=O)[N-]OCCC(C)(C)C)cc1 ZINC000817037686 632073292 /nfs/dbraw/zinc/07/32/92/632073292.db2.gz SNJNKMAQALOESX-UHFFFAOYSA-N -1 3 279.380 3.112 20 0 CGADHM C[C@@H](CCC(=O)[N-]OCCC1CC1)c1ccccc1 ZINC000817393028 632137164 /nfs/dbraw/zinc/13/71/64/632137164.db2.gz HDFGTDQRTUDAOP-ZDUSSCGKSA-N -1 3 261.365 3.418 20 0 CGADHM Cc1cccc(OCCCC(=O)[N-]OCCC2CC2)c1 ZINC000817413678 632143999 /nfs/dbraw/zinc/14/39/99/632143999.db2.gz ZHUZTOXYHPVTBE-UHFFFAOYSA-N -1 3 277.364 3.002 20 0 CGADHM O=C(CCc1ccc(OC(F)F)cc1)[N-]OCCC1CC1 ZINC000817416339 632146768 /nfs/dbraw/zinc/14/67/68/632146768.db2.gz BBKNZXMEFLNVGH-UHFFFAOYSA-N -1 3 299.317 3.069 20 0 CGADHM O=C(Cc1cccc(C(F)(F)F)c1)[N-]OCCC1CC1 ZINC000817442020 632159177 /nfs/dbraw/zinc/15/91/77/632159177.db2.gz UNRHYMABBUNXJT-UHFFFAOYSA-N -1 3 287.281 3.096 20 0 CGADHM CC(C)Cc1ccc(CC(=O)[N-]OCCC2CC2)cc1 ZINC000817441444 632159457 /nfs/dbraw/zinc/15/94/57/632159457.db2.gz DZVAZZRXPQMSEW-UHFFFAOYSA-N -1 3 275.392 3.276 20 0 CGADHM CC[C@H](C)N(Cc1ccccc1)C(=O)c1ccc(N)cc1[O-] ZINC000817908264 632233818 /nfs/dbraw/zinc/23/38/18/632233818.db2.gz QZYAXWPPJVUCQD-ZDUSSCGKSA-N -1 3 298.386 3.415 20 0 CGADHM C[C@@H]1CCN(C(=O)c2ccc(N)cc2[O-])[C@@H]2CCCC[C@@H]12 ZINC000817920923 632235041 /nfs/dbraw/zinc/23/50/41/632235041.db2.gz YKLOJIDRLUUMRW-OSAQELSMSA-N -1 3 288.391 3.015 20 0 CGADHM Nc1ccc(C(=O)N(CC2CCCCC2)C2CC2)c([O-])c1 ZINC000817925252 632235134 /nfs/dbraw/zinc/23/51/34/632235134.db2.gz TUZIKSKUZZCYSM-UHFFFAOYSA-N -1 3 288.391 3.159 20 0 CGADHM Nc1ccc(C(=O)N2CCC[C@H]2C2CCCCC2)c([O-])c1 ZINC000817915669 632235299 /nfs/dbraw/zinc/23/52/99/632235299.db2.gz OHLWNLJHNNAGMD-HNNXBMFYSA-N -1 3 288.391 3.159 20 0 CGADHM CCCC[C@@H]1CCC[C@@H]1NC(=O)c1ccc(N)cc1[O-] ZINC000817933386 632236149 /nfs/dbraw/zinc/23/61/49/632236149.db2.gz CDQQKKROQWSNPX-RISCZKNCSA-N -1 3 276.380 3.063 20 0 CGADHM CC(C)C[C@@H]1CCCCN1C(=O)c1ccc(N)cc1[O-] ZINC000817951310 632247380 /nfs/dbraw/zinc/24/73/80/632247380.db2.gz DALQNPNMEICGMW-ZDUSSCGKSA-N -1 3 276.380 3.015 20 0 CGADHM CCC(F)(F)C(=O)[N-][C@H](C)c1c(F)cccc1F ZINC000821048236 632717386 /nfs/dbraw/zinc/71/73/86/632717386.db2.gz AJIUXHPBSMOLOF-SSDOTTSWSA-N -1 3 263.234 3.187 20 0 CGADHM Cc1cccc(NCc2cccc(-c3nnn[n-]3)c2)c1C ZINC000822323470 632904022 /nfs/dbraw/zinc/90/40/22/632904022.db2.gz HIYNXUYYZNAWQC-UHFFFAOYSA-N -1 3 279.347 3.096 20 0 CGADHM Cc1cccc(NCc2cccc(-c3nn[n-]n3)c2)c1C ZINC000822323470 632904025 /nfs/dbraw/zinc/90/40/25/632904025.db2.gz HIYNXUYYZNAWQC-UHFFFAOYSA-N -1 3 279.347 3.096 20 0 CGADHM C[C@H]1CC[C@@H](Sc2cccc(-c3nnn[n-]3)c2)C1 ZINC000824915120 633305227 /nfs/dbraw/zinc/30/52/27/633305227.db2.gz BFDIPZASKYECGW-JOYOIKCWSA-N -1 3 260.366 3.147 20 0 CGADHM C[C@H]1CC[C@@H](Sc2cccc(-c3nn[n-]n3)c2)C1 ZINC000824915120 633305232 /nfs/dbraw/zinc/30/52/32/633305232.db2.gz BFDIPZASKYECGW-JOYOIKCWSA-N -1 3 260.366 3.147 20 0 CGADHM [O-]c1ccc(F)c(CN2C[C@@H]3CCCC[C@@H]32)c1F ZINC000826539848 633412378 /nfs/dbraw/zinc/41/23/78/633412378.db2.gz ZRWPEGLMRNIHBO-CABZTGNLSA-N -1 3 253.292 3.045 20 0 CGADHM O=C(Nc1cccc([O-])c1F)C1([C@H]2CCCCO2)CCC1 ZINC000867058474 633660144 /nfs/dbraw/zinc/66/01/44/633660144.db2.gz DVSVYYMHMRKHMI-CYBMUJFWSA-N -1 3 293.338 3.209 20 0 CGADHM Cc1cccc(CN[C@H](C)c2cccc([O-])c2F)n1 ZINC000872024355 633945127 /nfs/dbraw/zinc/94/51/27/633945127.db2.gz QRKBGLPNYIMYBS-LLVKDONJSA-N -1 3 260.312 3.086 20 0 CGADHM CC(C)n1ccc(CN[C@H](C)c2cccc([O-])c2F)n1 ZINC000872039270 633959515 /nfs/dbraw/zinc/95/95/15/633959515.db2.gz RRYGRGQRTLSZBM-LLVKDONJSA-N -1 3 277.343 3.160 20 0 CGADHM C[C@H](N[C@@H]1CCCC1(F)F)c1cccc([O-])c1F ZINC000872069993 633992312 /nfs/dbraw/zinc/99/23/12/633992312.db2.gz BGLQUIKFIRYTES-GZMMTYOYSA-N -1 3 259.271 3.370 20 0 CGADHM Cc1ccc(CN[C@@H](C)c2cccc([O-])c2F)nc1C ZINC000872080226 634003858 /nfs/dbraw/zinc/00/38/58/634003858.db2.gz UMAIJAQLMBGXHL-LBPRGKRZSA-N -1 3 274.339 3.394 20 0 CGADHM C[C@@H](N[C@H](C)c1cccc([O-])c1F)c1cscn1 ZINC000872084036 634009613 /nfs/dbraw/zinc/00/96/13/634009613.db2.gz CSZIRJQIOWIGMF-RKDXNWHRSA-N -1 3 266.341 3.400 20 0 CGADHM C[C@@H](NCc1nn(C)cc1C(F)F)c1cccc([O-])c1F ZINC000872091387 634016654 /nfs/dbraw/zinc/01/66/54/634016654.db2.gz HBJICUPOEOKUSC-MRVPVSSYSA-N -1 3 299.296 3.053 20 0 CGADHM C[C@]1(CNC(=O)c2cc([O-])c3ccccc3c2)CCCCO1 ZINC000832470756 634063533 /nfs/dbraw/zinc/06/35/33/634063533.db2.gz GHQNLNYIWNJRSV-GOSISDBHSA-N -1 3 299.370 3.234 20 0 CGADHM CC(C)=CCOc1cccc(CC(=O)[N-]OC(C)C)c1 ZINC000841441168 635175799 /nfs/dbraw/zinc/17/57/99/635175799.db2.gz IYPMGWSIZVRGHM-UHFFFAOYSA-N -1 3 277.364 3.030 20 0 CGADHM Cc1ccc(CC(=O)[N-]OC[C@@H]2CCCCC2(F)F)cc1 ZINC000842026361 635258293 /nfs/dbraw/zinc/25/82/93/635258293.db2.gz LQJOKICLGJLKQL-AWEZNQCLSA-N -1 3 297.345 3.411 20 0 CGADHM CC(C)(C)CC(=O)[N-]OCc1ccccc1Cl ZINC000842060150 635269278 /nfs/dbraw/zinc/26/92/78/635269278.db2.gz GOPSVXYHZAVUDV-UHFFFAOYSA-N -1 3 255.745 3.324 20 0 CGADHM CC(C)(C)CC(=O)[N-]OCc1ccc(Cl)cc1 ZINC000842060537 635270111 /nfs/dbraw/zinc/27/01/11/635270111.db2.gz MTZXYOXXSXKEAB-UHFFFAOYSA-N -1 3 255.745 3.324 20 0 CGADHM CC(C)(C)CC(=O)[N-]OCc1cc(Cl)ccc1F ZINC000842061712 635271262 /nfs/dbraw/zinc/27/12/62/635271262.db2.gz OHWXHMKVIZSXOB-UHFFFAOYSA-N -1 3 273.735 3.463 20 0 CGADHM CCCCCC(C)(C)c1nc(-c2cc(=O)[n-]cn2)no1 ZINC000843030363 635546789 /nfs/dbraw/zinc/54/67/89/635546789.db2.gz YVPJKODXKSHDHA-UHFFFAOYSA-N -1 3 276.340 3.090 20 0 CGADHM O=C([O-])c1ccc(CN2CCC3(CCC3)C2)cc1Cl ZINC000846248296 636166433 /nfs/dbraw/zinc/16/64/33/636166433.db2.gz WKQYYCVSZKVJRG-UHFFFAOYSA-N -1 3 279.767 3.414 20 0 CGADHM CCc1ccc(C(=O)N2CCC[C@@]3(CC3(F)F)C2)c([O-])c1 ZINC000846582259 636207067 /nfs/dbraw/zinc/20/70/67/636207067.db2.gz LKOUTUPOKOWNIC-OAHLLOKOSA-N -1 3 295.329 3.216 20 0 CGADHM CCOC(=O)c1c(C)[n-]c(=O)nc1SCC(CC)CC ZINC000882293731 636304105 /nfs/dbraw/zinc/30/41/05/636304105.db2.gz LYCPNVVUYGYMGI-UHFFFAOYSA-N -1 3 298.408 3.196 20 0 CGADHM CCc1csc(NCc2cc(=O)[n-]c(C3CCC3)n2)n1 ZINC000882685623 636382372 /nfs/dbraw/zinc/38/23/72/636382372.db2.gz XDILVKUUDHYVEU-UHFFFAOYSA-N -1 3 290.392 3.081 20 0 CGADHM [O-]c1ccc(F)c(CN2CCC[C@H](OC3CCC3)C2)c1F ZINC000848925226 636697520 /nfs/dbraw/zinc/69/75/20/636697520.db2.gz QPSPSSPHINCPEW-LBPRGKRZSA-N -1 3 297.345 3.204 20 0 CGADHM CCCCc1ccc(CC(=O)[N-]OCC(F)(F)F)cc1 ZINC000135204813 637096577 /nfs/dbraw/zinc/09/65/77/637096577.db2.gz LIHMVRJSIQMNTI-UHFFFAOYSA-N -1 3 289.297 3.182 20 0 CGADHM CC1(C)C[C@@]1(C[N-]C(=O)C(F)(F)F)c1ccccc1 ZINC000851901379 637536640 /nfs/dbraw/zinc/53/66/40/637536640.db2.gz DMIXGKDCVUXBGJ-CYBMUJFWSA-N -1 3 271.282 3.033 20 0 CGADHM O=C([O-])C1=CC[C@H](NCc2c(Cl)cccc2Cl)C1 ZINC000853035131 637740364 /nfs/dbraw/zinc/74/03/64/637740364.db2.gz NWADYNUUPSUMOG-VIFPVBQESA-N -1 3 286.158 3.256 20 0 CGADHM Cc1ccc(CC(=O)[N-]OC[C@@H]2CC[C@H]3C[C@H]3C2)cc1 ZINC000853661621 637885587 /nfs/dbraw/zinc/88/55/87/637885587.db2.gz PNWSYTGIGRTTQS-OWCLPIDISA-N -1 3 273.376 3.022 20 0 CGADHM CSc1ccc([O-])c(C(=O)N2CCC[C@@](C)(F)C2)c1 ZINC000854679778 638085764 /nfs/dbraw/zinc/08/57/64/638085764.db2.gz MPCKKTOWIXFUKC-CQSZACIVSA-N -1 3 283.368 3.078 20 0 CGADHM COc1csc(C(=O)[N-]c2nc(CC(C)C)ns2)c1 ZINC000855706556 638236181 /nfs/dbraw/zinc/23/61/81/638236181.db2.gz LMONRFMIJCSPRV-UHFFFAOYSA-N -1 3 297.405 3.059 20 0 CGADHM O=C(OCCCF)c1cccc2[n-]c(C(F)F)nc21 ZINC000924079993 638295862 /nfs/dbraw/zinc/29/58/62/638295862.db2.gz CMAUBLJWWXLUTC-UHFFFAOYSA-N -1 3 272.226 3.017 20 0 CGADHM CC1(C)CC(NC(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000856337669 638343275 /nfs/dbraw/zinc/34/32/75/638343275.db2.gz XMYKIIIHUMJKIQ-UHFFFAOYSA-N -1 3 269.344 3.464 20 0 CGADHM CCc1cccc2c(CC(=O)[N-]OCC3CCC3)c[nH]c21 ZINC000856347713 638347251 /nfs/dbraw/zinc/34/72/51/638347251.db2.gz ZVMOOSKFBPLUKE-UHFFFAOYSA-N -1 3 286.375 3.121 20 0 CGADHM C[C@H](Cn1ccc2ccccc21)C(=O)[N-]OCC1CCC1 ZINC000856352051 638351545 /nfs/dbraw/zinc/35/15/45/638351545.db2.gz WMHLGBOPRSJFCH-CYBMUJFWSA-N -1 3 286.375 3.125 20 0 CGADHM Cn1cc(C=Cc2cc(=O)[n-]c(C(C)(C)C)n2)c(Cl)n1 ZINC000857202277 638472052 /nfs/dbraw/zinc/47/20/52/638472052.db2.gz LNFCGIJDWNEBHA-WAYWQWQTSA-N -1 3 292.770 3.037 20 0 CGADHM CCc1onc(C)c1CN[C@@H](C)c1cccc([O-])c1F ZINC000927133171 638846332 /nfs/dbraw/zinc/84/63/32/638846332.db2.gz AKLDLLSDONGFQU-VIFPVBQESA-N -1 3 278.327 3.241 20 0 CGADHM CCO[C@H](COC(=O)c1cc(Cl)c(Cl)[n-]1)C1CC1 ZINC000859484590 639150464 /nfs/dbraw/zinc/15/04/64/639150464.db2.gz LUQOETHLODPJPM-SNVBAGLBSA-N -1 3 292.162 3.293 20 0 CGADHM CC(=O)CCCCCCNC(=O)c1cc([O-])ccc1Cl ZINC000862077674 639640810 /nfs/dbraw/zinc/64/08/10/639640810.db2.gz KYVYVKPOZAWWMX-UHFFFAOYSA-N -1 3 297.782 3.315 20 0 CGADHM CSc1ccc(CCC(=O)[N-]OC/C=C\Cl)cc1 ZINC000936057854 639890059 /nfs/dbraw/zinc/89/00/59/639890059.db2.gz DJZZCFSIWVADSO-MBXJOHMKSA-N -1 3 285.796 3.141 20 0 CGADHM Cc1cccc2c1C(=O)N[C@@H](c1cc(Cl)ccc1[O-])N2 ZINC000048619469 640061914 /nfs/dbraw/zinc/06/19/14/640061914.db2.gz JCZLOVXSUMNKQM-AWEZNQCLSA-N -1 3 288.734 3.208 20 0 CGADHM CCn1c2cc(C)ccc2nc1-c1ccncc1[O-] ZINC001250857615 805789725 /nfs/dbraw/zinc/78/97/25/805789725.db2.gz GTXZEPYXOZVRBA-UHFFFAOYSA-N -1 3 253.305 3.132 20 0 CGADHM CC[C@@H](C)C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC001251313112 805879557 /nfs/dbraw/zinc/87/95/57/805879557.db2.gz SSTASWJYVHNBQD-MRVPVSSYSA-N -1 3 296.219 3.318 20 0 CGADHM [O-]c1cc(F)cc(-c2nc3cc4c(cc3[nH]2)CCO4)c1 ZINC001251569365 805908572 /nfs/dbraw/zinc/90/85/72/805908572.db2.gz BVCQQYYBPSKLBB-UHFFFAOYSA-N -1 3 270.263 3.010 20 0 CGADHM CC(C)C[C@@H](C)CC(=O)[N-]OCCOc1ccccc1 ZINC001159227661 806062064 /nfs/dbraw/zinc/06/20/64/806062064.db2.gz CQCCJJDQNCCDRP-CQSZACIVSA-N -1 3 279.380 3.186 20 0 CGADHM O=C([N-]OCCC1CC1)C1(C2CCCCC2)CC1 ZINC001159485976 806112381 /nfs/dbraw/zinc/11/23/81/806112381.db2.gz LZGGDJRTNAEPKQ-UHFFFAOYSA-N -1 3 251.370 3.195 20 0 CGADHM [O-]c1cncc(-c2nnc(-c3cccc(Cl)c3)o2)c1 ZINC001253782230 806308761 /nfs/dbraw/zinc/30/87/61/806308761.db2.gz WBUVQBJSAGRANJ-UHFFFAOYSA-N -1 3 273.679 3.158 20 0 CGADHM CCc1ccc(C(=O)N[C@@]2(C)CC=CCC2)c([O-])c1 ZINC001161487858 806384960 /nfs/dbraw/zinc/38/49/60/806384960.db2.gz SCLGORXZKHLVQV-INIZCTEOSA-N -1 3 259.349 3.183 20 0 CGADHM [O-]c1ccc(-c2nnc([C@@H]3C[C@H]3c3ccccc3)o2)nc1 ZINC001254511590 806429979 /nfs/dbraw/zinc/42/99/79/806429979.db2.gz CTCAAQUCDSFYKQ-QWHCGFSZSA-N -1 3 279.299 3.108 20 0 CGADHM [O-]c1cncc(-c2nnc([C@H]3C[C@@H]3c3ccccc3)o2)c1 ZINC001254627292 806462864 /nfs/dbraw/zinc/46/28/64/806462864.db2.gz DESZKZITICZHAD-KGLIPLIRSA-N -1 3 279.299 3.108 20 0 CGADHM O=C([O-])[C@H](NCc1cccs1)c1ccc(Cl)cc1 ZINC000037966583 798881141 /nfs/dbraw/zinc/88/11/41/798881141.db2.gz JBHDEPOXZDLAGB-GFCCVEGCSA-N -1 3 281.764 3.317 20 0 CGADHM C[C@H](NC1CCC(C)CC1)c1ncc(C(=O)[O-])s1 ZINC000315403089 799235999 /nfs/dbraw/zinc/23/59/99/799235999.db2.gz VDLPAPLUDYFSDG-KYHHOPLUSA-N -1 3 268.382 3.071 20 0 CGADHM COc1c(F)ccc(F)c1-c1cc([O-])cc(F)c1 ZINC000380673056 799365529 /nfs/dbraw/zinc/36/55/29/799365529.db2.gz MJDGUFZYFPPXQA-UHFFFAOYSA-N -1 3 254.207 3.485 20 0 CGADHM O=C(NC[C@]12C[C@H]1CCCC2)c1cc([O-])ccc1Cl ZINC000693580918 799812685 /nfs/dbraw/zinc/81/26/85/799812685.db2.gz QFAHPUDNFAQODB-BMIGLBTASA-N -1 3 279.767 3.356 20 0 CGADHM CCC[C@H](C)CC[C@H](C)[NH2+]CCCCP(=O)([O-])[O-] ZINC001257468662 807171611 /nfs/dbraw/zinc/17/16/11/807171611.db2.gz QNZMREQODHHRIT-STQMWFEESA-N -1 3 279.361 3.139 20 0 CGADHM O=C([O-])[C@]12CCC[C@H]1CN(Cc1cc(Cl)ccc1F)C2 ZINC000701467602 799890195 /nfs/dbraw/zinc/89/01/95/799890195.db2.gz IAFZAWUOMFDMMG-NHYWBVRUSA-N -1 3 297.757 3.166 20 0 CGADHM CCCO[C@@H]1CCN(Cc2cccc([O-])c2Cl)C1 ZINC000701666318 799893516 /nfs/dbraw/zinc/89/35/16/799893516.db2.gz UABWHBWWWFSKMK-GFCCVEGCSA-N -1 3 269.772 3.047 20 0 CGADHM Cc1cc(C)nc(-c2cc([O-])cc(C(F)(F)F)c2)n1 ZINC000715447815 800135145 /nfs/dbraw/zinc/13/51/45/800135145.db2.gz MWNXIDHQJJHSDM-UHFFFAOYSA-N -1 3 268.238 3.485 20 0 CGADHM CSCC1CCN(Cc2ccc(C(=O)[O-])c(F)c2)CC1 ZINC000719256013 800234755 /nfs/dbraw/zinc/23/47/55/800234755.db2.gz KRFOISWLDNQERI-UHFFFAOYSA-N -1 3 297.395 3.099 20 0 CGADHM Cc1ccc(-c2nnc(-c3c([O-])cccc3O)o2)cc1C ZINC001256531960 806910600 /nfs/dbraw/zinc/91/06/00/806910600.db2.gz WOBQQQITKACDEK-UHFFFAOYSA-N -1 3 282.299 3.432 20 0 CGADHM O=S(=O)([N-][C@H]1CC12CCCC2)c1ccc(Cl)s1 ZINC001256547648 806915279 /nfs/dbraw/zinc/91/52/79/806915279.db2.gz DZEKMSBSHMLGTD-QMMMGPOBSA-N -1 3 291.825 3.013 20 0 CGADHM C[C@@H]1C[C@H]1c1nnc(-c2ccc([O-])c3ncccc23)o1 ZINC001256649920 806940388 /nfs/dbraw/zinc/94/03/88/806940388.db2.gz XZQAFVNJYRMLSJ-LDYMZIIASA-N -1 3 267.288 3.114 20 0 CGADHM C[C@@H]1C[C@@H]1c1nnc(-c2cc([O-])cc(Br)c2)o1 ZINC001256747401 806970813 /nfs/dbraw/zinc/97/08/13/806970813.db2.gz LNXQAWLDINKXSK-LDWIPMOCSA-N -1 3 295.136 3.328 20 0 CGADHM O=C([N-]Cc1ccoc1)C(F)(F)c1ccc(Cl)cc1 ZINC001115891303 802283990 /nfs/dbraw/zinc/28/39/90/802283990.db2.gz VXHOGXPKSAIZCE-UHFFFAOYSA-N -1 3 285.677 3.341 20 0 CGADHM C[C@H]1CCN(C(=O)c2ccc(N)cc2[O-])[C@@H]1c1ccccc1 ZINC001119382793 802657429 /nfs/dbraw/zinc/65/74/29/802657429.db2.gz DKMRDKXKWGAITE-SJCJKPOMSA-N -1 3 296.370 3.198 20 0 CGADHM Cc1csc([C@@H](C)NCc2c(F)ccc([O-])c2F)n1 ZINC001120027194 802726387 /nfs/dbraw/zinc/72/63/87/802726387.db2.gz NCPWAXHDTOAXGL-MRVPVSSYSA-N -1 3 284.331 3.286 20 0 CGADHM CC(C)c1nc(CNCC2(C(=O)[O-])CCCC2)cs1 ZINC001120273364 802737495 /nfs/dbraw/zinc/73/74/95/802737495.db2.gz PJJRJWMYZYSSIA-UHFFFAOYSA-N -1 3 282.409 3.001 20 0 CGADHM Fc1ccc(-c2cc(C3CC3)cnc2F)cc1-c1nnn[n-]1 ZINC001243866203 803056747 /nfs/dbraw/zinc/05/67/47/803056747.db2.gz FOFBRVCBCWTRSL-UHFFFAOYSA-N -1 3 299.284 3.084 20 0 CGADHM Fc1ccc(-c2cc(C3CC3)cnc2F)cc1-c1nn[n-]n1 ZINC001243866203 803056754 /nfs/dbraw/zinc/05/67/54/803056754.db2.gz FOFBRVCBCWTRSL-UHFFFAOYSA-N -1 3 299.284 3.084 20 0 CGADHM Cc1noc(C)c1[N-]C(=O)c1scnc1C(C)C ZINC001125429267 803060978 /nfs/dbraw/zinc/06/09/78/803060978.db2.gz SLQBNILZAXLPOP-UHFFFAOYSA-N -1 3 265.338 3.124 20 0 CGADHM COc1ccc(-c2ccc(-c3nnn[n-]3)cc2C)c(C)c1C ZINC001244003108 803133818 /nfs/dbraw/zinc/13/38/18/803133818.db2.gz IPQCDZLKPWZKHN-UHFFFAOYSA-N -1 3 294.358 3.468 20 0 CGADHM COc1ccc(-c2ccc(-c3nn[n-]n3)cc2C)c(C)c1C ZINC001244003108 803133824 /nfs/dbraw/zinc/13/38/24/803133824.db2.gz IPQCDZLKPWZKHN-UHFFFAOYSA-N -1 3 294.358 3.468 20 0 CGADHM CC(C)(C)c1cc(-c2cc(F)cc(-c3nnn[n-]3)c2)ccn1 ZINC001244027820 803150059 /nfs/dbraw/zinc/15/00/59/803150059.db2.gz KVBUSVHWHSRHSD-UHFFFAOYSA-N -1 3 297.337 3.365 20 0 CGADHM CC(C)(C)c1cc(-c2cc(F)cc(-c3nn[n-]n3)c2)ccn1 ZINC001244027820 803150066 /nfs/dbraw/zinc/15/00/66/803150066.db2.gz KVBUSVHWHSRHSD-UHFFFAOYSA-N -1 3 297.337 3.365 20 0 CGADHM O=c1ccc(-c2c([O-])cccc2Cl)cn1C(F)F ZINC001244033132 803151720 /nfs/dbraw/zinc/15/17/20/803151720.db2.gz OSPUCPISDRGEHT-UHFFFAOYSA-N -1 3 271.650 3.269 20 0 CGADHM COC(=O)c1cc(C)c(-c2c([O-])cccc2Cl)cn1 ZINC001244052763 803162749 /nfs/dbraw/zinc/16/27/49/803162749.db2.gz ZBAZIXLTVOKCKG-UHFFFAOYSA-N -1 3 277.707 3.203 20 0 CGADHM Fc1cc(-c2ccccc2-c2nnn[n-]2)c(F)cc1Cl ZINC001244301614 803286093 /nfs/dbraw/zinc/28/60/93/803286093.db2.gz RNOJNWOLQUPITR-UHFFFAOYSA-N -1 3 292.676 3.465 20 0 CGADHM Fc1cc(-c2ccccc2-c2nn[n-]n2)c(F)cc1Cl ZINC001244301614 803286097 /nfs/dbraw/zinc/28/60/97/803286097.db2.gz RNOJNWOLQUPITR-UHFFFAOYSA-N -1 3 292.676 3.465 20 0 CGADHM Fc1cc(-c2ccc(=S)[n-]n2)c(F)cc1Cl ZINC001244302492 803287052 /nfs/dbraw/zinc/28/70/52/803287052.db2.gz LNWZJLFFWFODJO-UHFFFAOYSA-N -1 3 258.680 3.364 20 0 CGADHM CCc1nccc(-c2cc(OC(F)(F)F)ccc2[O-])n1 ZINC001244456897 803378235 /nfs/dbraw/zinc/37/82/35/803378235.db2.gz JGGXHKKPYQFKSE-UHFFFAOYSA-N -1 3 284.237 3.310 20 0 CGADHM CN(C)Cc1ccc(-c2ccc(Cl)cc2[O-])nc1 ZINC001244466401 803383291 /nfs/dbraw/zinc/38/32/91/803383291.db2.gz IKPZEBSPJIMBBE-UHFFFAOYSA-N -1 3 262.740 3.169 20 0 CGADHM Cc1nnc2cc(-c3ccc(Cl)cc3[O-])ccn12 ZINC001244469484 803385400 /nfs/dbraw/zinc/38/54/00/803385400.db2.gz KSFYIOBRIRAXAA-UHFFFAOYSA-N -1 3 259.696 3.064 20 0 CGADHM CCOC(=O)c1cc(-c2ccc(Cl)cc2[O-])ccn1 ZINC001244469267 803386172 /nfs/dbraw/zinc/38/61/72/803386172.db2.gz DQKOOGXVNQVDHC-UHFFFAOYSA-N -1 3 277.707 3.284 20 0 CGADHM Cc1nc2c(-c3ccc(Cl)cc3[O-])cccn2n1 ZINC001244469108 803386279 /nfs/dbraw/zinc/38/62/79/803386279.db2.gz ATOGCGYBKDGFIH-UHFFFAOYSA-N -1 3 259.696 3.064 20 0 CGADHM C[C@@H]1Oc2ccc(-c3ccc(Cl)cc3[O-])cc2NC1=O ZINC001244469346 803386562 /nfs/dbraw/zinc/38/65/62/803386562.db2.gz IIEIGPNDLBIKPW-QMMMGPOBSA-N -1 3 289.718 3.432 20 0 CGADHM O=C1NCc2c(cccc2-c2ccc(Cl)cc2[O-])N1 ZINC001244471009 803387205 /nfs/dbraw/zinc/38/72/05/803387205.db2.gz FMLROMYKNOABKV-UHFFFAOYSA-N -1 3 274.707 3.348 20 0 CGADHM CC(=O)Nc1cc(C)c(-c2ccc(Cl)cc2[O-])cn1 ZINC001244472490 803389032 /nfs/dbraw/zinc/38/90/32/803389032.db2.gz NVDRNTRKJUBSFE-UHFFFAOYSA-N -1 3 276.723 3.374 20 0 CGADHM CCOC(=O)c1cccnc1-c1cc(C)c(F)c([O-])c1 ZINC001244496210 803403821 /nfs/dbraw/zinc/40/38/21/803403821.db2.gz ORJXFKHNDRTSHX-UHFFFAOYSA-N -1 3 275.279 3.078 20 0 CGADHM Cc1nc2ccoc2c(-c2cc(C)c(F)c([O-])c2)n1 ZINC001244496570 803403975 /nfs/dbraw/zinc/40/39/75/803403975.db2.gz TUEQAMQGQWSFDN-UHFFFAOYSA-N -1 3 258.252 3.351 20 0 CGADHM Cc1cc2c(ncnc2-c2cc(C)c(F)c([O-])c2)[nH]1 ZINC001244505687 803410129 /nfs/dbraw/zinc/41/01/29/803410129.db2.gz IFAMWCSUDHVPQY-UHFFFAOYSA-N -1 3 257.268 3.086 20 0 CGADHM Cc1cc(-c2nccc(-c3cccnc3)n2)cc([O-])c1F ZINC001244505436 803410291 /nfs/dbraw/zinc/41/02/91/803410291.db2.gz FNPLWKUIRGAKFC-UHFFFAOYSA-N -1 3 281.290 3.359 20 0 CGADHM Cc1cc(-c2ncnc3c2CCCC3)cc([O-])c1F ZINC001244505715 803410577 /nfs/dbraw/zinc/41/05/77/803410577.db2.gz IJZPJTWSGXZYLH-UHFFFAOYSA-N -1 3 258.296 3.176 20 0 CGADHM CCS(=O)(=O)c1ccc(-c2cc(C)c(F)c([O-])c2)cc1 ZINC001244514778 803413661 /nfs/dbraw/zinc/41/36/61/803413661.db2.gz CATMBWSZRBTMQN-UHFFFAOYSA-N -1 3 294.347 3.300 20 0 CGADHM Cc1cc(-c2cccc3c2COC3=O)cc([O-])c1F ZINC001244516631 803413824 /nfs/dbraw/zinc/41/38/24/803413824.db2.gz YTJRGZQPHBVWKB-UHFFFAOYSA-N -1 3 258.248 3.177 20 0 CGADHM CCOC(=O)c1ccc(-c2cc(C)c(F)c([O-])c2)cn1 ZINC001244515812 803413956 /nfs/dbraw/zinc/41/39/56/803413956.db2.gz OEAYYTWBOFNBOB-UHFFFAOYSA-N -1 3 275.279 3.078 20 0 CGADHM Cc1cc(-c2ccc3cncnc3c2)cc([O-])c1F ZINC001244517145 803414332 /nfs/dbraw/zinc/41/43/32/803414332.db2.gz JDTFGAIGRHAZCO-UHFFFAOYSA-N -1 3 254.264 3.450 20 0 CGADHM CCOC(=O)c1cc(C)c(-c2cc(C)c(F)c([O-])c2)cn1 ZINC001244524581 803417651 /nfs/dbraw/zinc/41/76/51/803417651.db2.gz CSHWJYXYKZDLCA-UHFFFAOYSA-N -1 3 289.306 3.387 20 0 CGADHM CCOCc1cncc(-c2cc(C)c(F)c([O-])c2)c1 ZINC001244525384 803418252 /nfs/dbraw/zinc/41/82/52/803418252.db2.gz MVPNNSOJZZBTFR-UHFFFAOYSA-N -1 3 261.296 3.438 20 0 CGADHM Cc1cc(-c2cnc(N3CCC3)nc2)cc(Cl)c1[O-] ZINC001244537686 803424851 /nfs/dbraw/zinc/42/48/51/803424851.db2.gz OQKJBEVNJJQSRV-UHFFFAOYSA-N -1 3 275.739 3.021 20 0 CGADHM COC(=O)c1ccc(N)c(-c2cc(C)c([O-])c(Cl)c2)c1 ZINC001244539587 803426395 /nfs/dbraw/zinc/42/63/95/803426395.db2.gz YBLCHMVRXWVXFI-UHFFFAOYSA-N -1 3 291.734 3.390 20 0 CGADHM [O-]c1ccc(Cl)c(-c2cccc3cncn32)c1F ZINC001244542504 803429879 /nfs/dbraw/zinc/42/98/79/803429879.db2.gz LXZAFVWWEYTRMR-UHFFFAOYSA-N -1 3 262.671 3.499 20 0 CGADHM Cc1cc(-c2cc(F)ccc2C(N)=O)cc(Cl)c1[O-] ZINC001244553161 803434996 /nfs/dbraw/zinc/43/49/96/803434996.db2.gz FPILZRGTBZJVAR-UHFFFAOYSA-N -1 3 279.698 3.259 20 0 CGADHM Cc1cc(Cl)c(N)c(-c2ccccc2-c2nnn[n-]2)c1 ZINC001244564641 803442741 /nfs/dbraw/zinc/44/27/41/803442741.db2.gz MGZITFRSBQZRTB-UHFFFAOYSA-N -1 3 285.738 3.078 20 0 CGADHM Cc1cc(Cl)c(N)c(-c2ccccc2-c2nn[n-]n2)c1 ZINC001244564641 803442745 /nfs/dbraw/zinc/44/27/45/803442745.db2.gz MGZITFRSBQZRTB-UHFFFAOYSA-N -1 3 285.738 3.078 20 0 CGADHM Cc1cc(C)c(N)c(-c2ccc(-c3nnn[n-]3)cc2C)c1 ZINC001244614806 803464785 /nfs/dbraw/zinc/46/47/85/803464785.db2.gz VDXHKJIKSLCFGO-UHFFFAOYSA-N -1 3 279.347 3.041 20 0 CGADHM Cc1cc(C)c(N)c(-c2ccc(-c3nn[n-]n3)cc2C)c1 ZINC001244614806 803464789 /nfs/dbraw/zinc/46/47/89/803464789.db2.gz VDXHKJIKSLCFGO-UHFFFAOYSA-N -1 3 279.347 3.041 20 0 CGADHM CCOc1ccc(C)c(-c2cccc(-c3nnn[n-]3)c2)c1 ZINC001244871540 803558248 /nfs/dbraw/zinc/55/82/48/803558248.db2.gz FMLJFLYXDCNLKS-UHFFFAOYSA-N -1 3 280.331 3.241 20 0 CGADHM CCOc1ccc(C)c(-c2cccc(-c3nn[n-]n3)c2)c1 ZINC001244871540 803558253 /nfs/dbraw/zinc/55/82/53/803558253.db2.gz FMLJFLYXDCNLKS-UHFFFAOYSA-N -1 3 280.331 3.241 20 0 CGADHM CC(C)(F)c1cc([N-]C(=O)c2cnc(C3CC3)s2)no1 ZINC001135194984 803577194 /nfs/dbraw/zinc/57/71/94/803577194.db2.gz BVFKEGZQUSQTNC-UHFFFAOYSA-N -1 3 295.339 3.465 20 0 CGADHM CC(C)(F)c1cc([N-]C(=O)c2cc(F)ccc2F)no1 ZINC001135194939 803577409 /nfs/dbraw/zinc/57/74/09/803577409.db2.gz ABOKAVINEHRCDY-UHFFFAOYSA-N -1 3 284.237 3.410 20 0 CGADHM Cc1c(Cl)cccc1-c1ccccc1-c1nnn[n-]1 ZINC001244962382 803594394 /nfs/dbraw/zinc/59/43/94/803594394.db2.gz OGWLJBGJXXIKHQ-UHFFFAOYSA-N -1 3 270.723 3.496 20 0 CGADHM Cc1c(Cl)cccc1-c1ccccc1-c1nn[n-]n1 ZINC001244962382 803594397 /nfs/dbraw/zinc/59/43/97/803594397.db2.gz OGWLJBGJXXIKHQ-UHFFFAOYSA-N -1 3 270.723 3.496 20 0 CGADHM Fc1cc(Cl)c(-c2ccc(=S)[n-]n2)cc1F ZINC001245015701 803612161 /nfs/dbraw/zinc/61/21/61/803612161.db2.gz DYGLSFHAUQUZNE-UHFFFAOYSA-N -1 3 258.680 3.364 20 0 CGADHM Oc1ccc(Cl)cc1-c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001245053210 803623683 /nfs/dbraw/zinc/62/36/83/803623683.db2.gz XZINVUQMXQNSLE-UHFFFAOYSA-N -1 3 290.685 3.032 20 0 CGADHM Cc1cc2ncnc(-c3ccc([O-])cc3Cl)c2[nH]1 ZINC001245080078 803635782 /nfs/dbraw/zinc/63/57/82/803635782.db2.gz YOEDPGZMAVSSKG-UHFFFAOYSA-N -1 3 259.696 3.292 20 0 CGADHM [O-]c1ccc(-c2cc(N3CCCCC3)ncn2)c(Cl)c1 ZINC001245080286 803635946 /nfs/dbraw/zinc/63/59/46/803635946.db2.gz YDTNHAMABBZJBW-UHFFFAOYSA-N -1 3 289.766 3.493 20 0 CGADHM COC(=O)c1ccc(C)c(-c2ccc([O-])cc2Cl)n1 ZINC001245081322 803636577 /nfs/dbraw/zinc/63/65/77/803636577.db2.gz FBUOEUZGTORLFZ-UHFFFAOYSA-N -1 3 277.707 3.203 20 0 CGADHM Oc1ccc(-c2ccc(-c3nnn[n-]3)c(F)c2)c(Cl)c1 ZINC001245081618 803636630 /nfs/dbraw/zinc/63/66/30/803636630.db2.gz JMACNUGATXSCDV-UHFFFAOYSA-N -1 3 290.685 3.032 20 0 CGADHM Oc1ccc(-c2ccc(-c3nn[n-]n3)c(F)c2)c(Cl)c1 ZINC001245081618 803636634 /nfs/dbraw/zinc/63/66/34/803636634.db2.gz JMACNUGATXSCDV-UHFFFAOYSA-N -1 3 290.685 3.032 20 0 CGADHM CCc1ncnc(-c2ccc([O-])cc2Cl)c1F ZINC001245082462 803637080 /nfs/dbraw/zinc/63/70/80/803637080.db2.gz WDEYSFQYWYBTKH-UHFFFAOYSA-N -1 3 252.676 3.204 20 0 CGADHM CC(C)[C@@H]1CCN1C(=O)c1cc2sccc2c([O-])c1 ZINC001137833477 803779217 /nfs/dbraw/zinc/77/92/17/803779217.db2.gz FNTVFUAJEUZTNB-LBPRGKRZSA-N -1 3 275.373 3.477 20 0 CGADHM O=C1OCc2cc(Nc3ccc([O-])c(F)c3F)ccc21 ZINC001212007648 814965996 /nfs/dbraw/zinc/96/59/96/814965996.db2.gz UGPJFGXATFSPQL-UHFFFAOYSA-N -1 3 277.226 3.084 20 0 CGADHM O=C1CCc2c(Nc3ccc([O-])c(F)c3F)cccc2N1 ZINC001212016554 814968015 /nfs/dbraw/zinc/96/80/15/814968015.db2.gz VXDQCKFAJNBKMO-UHFFFAOYSA-N -1 3 290.269 3.299 20 0 CGADHM Fc1cc(-c2nnn[n-]2)cc(-c2cccc3ccoc32)c1 ZINC001245618062 803859284 /nfs/dbraw/zinc/85/92/84/803859284.db2.gz KSYASRDFGDKWSF-UHFFFAOYSA-N -1 3 280.262 3.419 20 0 CGADHM Fc1cc(-c2nn[n-]n2)cc(-c2cccc3ccoc32)c1 ZINC001245618062 803859293 /nfs/dbraw/zinc/85/92/93/803859293.db2.gz KSYASRDFGDKWSF-UHFFFAOYSA-N -1 3 280.262 3.419 20 0 CGADHM CC(=O)Oc1ccc(Nc2ncc(Cl)cc2[O-])cc1 ZINC001212068503 814971826 /nfs/dbraw/zinc/97/18/26/814971826.db2.gz IHXGTFJFYKLSMG-UHFFFAOYSA-N -1 3 278.695 3.110 20 0 CGADHM COCc1ccc(-c2c([O-])cccc2F)c(F)c1 ZINC001245656716 803889907 /nfs/dbraw/zinc/88/99/07/803889907.db2.gz MTDDZBXLZMCAOU-UHFFFAOYSA-N -1 3 250.244 3.484 20 0 CGADHM [O-]c1cccc(F)c1-c1ccc(F)c(C2OCCO2)c1 ZINC001245656479 803890024 /nfs/dbraw/zinc/89/00/24/803890024.db2.gz PDOWBOYKYUTJQA-UHFFFAOYSA-N -1 3 278.254 3.383 20 0 CGADHM O=C1Cc2ccc(-c3ccc4c(c3)[N-]C(=S)C4)cc2N1 ZINC001245891711 804017777 /nfs/dbraw/zinc/01/77/77/804017777.db2.gz KTNMQIHLQHNBMU-UHFFFAOYSA-N -1 3 280.352 3.144 20 0 CGADHM [O-]c1cccc(CN2CCC[C@H]3C[C@H]32)c1Br ZINC001140552661 804459823 /nfs/dbraw/zinc/45/98/23/804459823.db2.gz KNRVJQORQNUDOJ-GXSJLCMTSA-N -1 3 282.181 3.139 20 0 CGADHM CN(Cc1cccc(F)c1)Cc1cc(F)c([O-])c(F)c1 ZINC001140987961 804562309 /nfs/dbraw/zinc/56/23/09/804562309.db2.gz INGRVOZVCAHREF-UHFFFAOYSA-N -1 3 281.277 3.442 20 0 CGADHM O=C(Cc1ccc(O)c(F)c1)Nc1c([O-])cccc1Cl ZINC001141469428 804643980 /nfs/dbraw/zinc/64/39/80/804643980.db2.gz RURHCOFCYOHTEH-UHFFFAOYSA-N -1 3 295.697 3.072 20 0 CGADHM C[C@@H]1CC(=O)CCN1Cc1c(Cl)cc([O-])cc1Cl ZINC001142105812 804695153 /nfs/dbraw/zinc/69/51/53/804695153.db2.gz OLAKLHJJARRSFN-MRVPVSSYSA-N -1 3 288.174 3.252 20 0 CGADHM CC(=O)[C@H]1CCN(Cc2c(Cl)cc([O-])cc2Cl)C1 ZINC001142118449 804696331 /nfs/dbraw/zinc/69/63/31/804696331.db2.gz LXRJWHWGOWESKP-VIFPVBQESA-N -1 3 288.174 3.110 20 0 CGADHM CC1(C)CN(Cc2ccc(Cl)cc2C(=O)[O-])CCCO1 ZINC001142660107 804750432 /nfs/dbraw/zinc/75/04/32/804750432.db2.gz FNCOYPLNHUNROH-UHFFFAOYSA-N -1 3 297.782 3.039 20 0 CGADHM CC(C)(C)OC(=O)c1ccc(NC(=O)C(C)(C)C)c([O-])c1 ZINC001142776390 804769150 /nfs/dbraw/zinc/76/91/50/804769150.db2.gz IGEXFJDGWGCCOD-UHFFFAOYSA-N -1 3 293.363 3.332 20 0 CGADHM [O-]c1c(F)cc(F)cc1Nc1ccnn1C1CCC1 ZINC001212484039 815036871 /nfs/dbraw/zinc/03/68/71/815036871.db2.gz GZEOZSWHVXNZTD-UHFFFAOYSA-N -1 3 265.263 3.336 20 0 CGADHM Nc1ccc2c(Cl)nn(-c3cc(F)cc(F)c3[O-])c2c1 ZINC001212487630 815038702 /nfs/dbraw/zinc/03/87/02/815038702.db2.gz RPYGDIDYEWMYAG-UHFFFAOYSA-N -1 3 295.676 3.245 20 0 CGADHM CC[C@@H]1CCCN(Cc2c(F)cc([O-])cc2F)C1 ZINC001144560294 805007051 /nfs/dbraw/zinc/00/70/51/805007051.db2.gz ZLJLDVACSGDYRR-SNVBAGLBSA-N -1 3 255.308 3.292 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)NCc1sccc1Cl ZINC001144633099 805017339 /nfs/dbraw/zinc/01/73/39/805017339.db2.gz DWGYVFCYWIMKHA-UHFFFAOYSA-N -1 3 299.754 3.105 20 0 CGADHM O=C([O-])c1ccsc1CN1CCc2ccsc2C1 ZINC001144677751 805031994 /nfs/dbraw/zinc/03/19/94/805031994.db2.gz BAEDVJXRJKBVRG-UHFFFAOYSA-N -1 3 279.386 3.066 20 0 CGADHM O=C(CC1Cc2ccccc2C1)Nc1ccc(F)c([O-])c1 ZINC001146801223 805090312 /nfs/dbraw/zinc/09/03/12/805090312.db2.gz KUHPBQZECHNTRB-UHFFFAOYSA-N -1 3 285.318 3.275 20 0 CGADHM COc1cccc([O-])c1C(=O)NC[C@@H](C)c1ccc(C)cc1 ZINC001147211538 805115959 /nfs/dbraw/zinc/11/59/59/805115959.db2.gz WOUCIEDWZMFIFB-CYBMUJFWSA-N -1 3 299.370 3.243 20 0 CGADHM CC(=O)c1cccc([O-])c1NC(=O)c1cc(C)c(O)c(C)c1 ZINC001148557711 805194443 /nfs/dbraw/zinc/19/44/43/805194443.db2.gz NWKVNAACVWBABM-UHFFFAOYSA-N -1 3 299.326 3.170 20 0 CGADHM CC(C)[C@H]1CCCN1Cc1ccc(F)c(C(=O)[O-])c1F ZINC001249780593 805241628 /nfs/dbraw/zinc/24/16/28/805241628.db2.gz XMVFFAZPVMCJTE-GFCCVEGCSA-N -1 3 283.318 3.283 20 0 CGADHM O=C(Nc1ccc(F)c([O-])c1)c1cc2[nH]ccc2s1 ZINC001149861260 805246109 /nfs/dbraw/zinc/24/61/09/805246109.db2.gz KFOUQHUGRQTIAK-UHFFFAOYSA-N -1 3 276.292 3.326 20 0 CGADHM Cc1cc(F)c(Nc2cc(=O)[n-]c(C3CC3)n2)cc1F ZINC001249793841 805250880 /nfs/dbraw/zinc/25/08/80/805250880.db2.gz YQJMVKFQMJLIGJ-UHFFFAOYSA-N -1 3 277.274 3.390 20 0 CGADHM Cc1cc2cc(C(=O)Nc3cncc([O-])c3)ccc2o1 ZINC001150738633 805265538 /nfs/dbraw/zinc/26/55/38/805265538.db2.gz RNCROXKNCHYBQW-UHFFFAOYSA-N -1 3 268.272 3.094 20 0 CGADHM Cc1nc2ccccc2nc1C(=O)Nc1ccc(F)c([O-])c1 ZINC001150867056 805271664 /nfs/dbraw/zinc/27/16/64/805271664.db2.gz BNESODIDKWUQDR-UHFFFAOYSA-N -1 3 297.289 3.035 20 0 CGADHM O=C(Nc1ccc(F)c([O-])c1)c1cc2ccccc2cn1 ZINC001151695474 805308956 /nfs/dbraw/zinc/30/89/56/805308956.db2.gz VTESGJDJGBTLMV-UHFFFAOYSA-N -1 3 282.274 3.332 20 0 CGADHM Cc1ccc2nc(N)n(-c3cc([O-])c(F)c(F)c3F)c2c1 ZINC001249957467 805324615 /nfs/dbraw/zinc/32/46/15/805324615.db2.gz AMPMQVJKZHLWAF-UHFFFAOYSA-N -1 3 293.248 3.039 20 0 CGADHM O=C1CCCc2nc(Nc3c([O-])cccc3F)sc21 ZINC001249989082 805346619 /nfs/dbraw/zinc/34/66/19/805346619.db2.gz LOFZSBAIVBJXHV-UHFFFAOYSA-N -1 3 278.308 3.250 20 0 CGADHM O=C(Nc1cc([O-])cc(Cl)c1)c1cc2ccncc2cn1 ZINC001153071593 805381524 /nfs/dbraw/zinc/38/15/24/805381524.db2.gz JHVBIQNCBFGRSB-UHFFFAOYSA-N -1 3 299.717 3.241 20 0 CGADHM O=C([N-]c1cccc2nsnc21)c1nc2ccccc2o1 ZINC001153570445 805402970 /nfs/dbraw/zinc/40/29/70/805402970.db2.gz CHTYQMOEZKNWHA-UHFFFAOYSA-N -1 3 296.311 3.085 20 0 CGADHM Cn1nc2c(c1Nc1ccc(Cl)c([O-])c1)CCC2 ZINC001212588577 815078161 /nfs/dbraw/zinc/07/81/61/815078161.db2.gz VJGRLANSLQWIRY-UHFFFAOYSA-N -1 3 263.728 3.011 20 0 CGADHM CN1Cc2cccc(Nc3ccc(Cl)c([O-])c3)c2C1=O ZINC001212595473 815081024 /nfs/dbraw/zinc/08/10/24/815081024.db2.gz VPTQEOMFBRLHHP-UHFFFAOYSA-N -1 3 288.734 3.375 20 0 CGADHM O=C(Cc1c(F)ccc([O-])c1F)c1cccc(F)c1 ZINC001250235365 805510690 /nfs/dbraw/zinc/51/06/90/805510690.db2.gz HPZOAQITZKJSDS-UHFFFAOYSA-N -1 3 266.218 3.235 20 0 CGADHM CC[C@H](OCCNC(=O)c1ccccc1[O-])c1ccccc1 ZINC001165261694 806981828 /nfs/dbraw/zinc/98/18/28/806981828.db2.gz QOFDRRUUZILRLE-KRWDZBQOSA-N -1 3 299.370 3.290 20 0 CGADHM [O-]c1c(F)cc(F)cc1Nc1c(F)ccc(CO)c1F ZINC001250259133 805528303 /nfs/dbraw/zinc/52/83/03/805528303.db2.gz DJVXTXZYBWKUNE-UHFFFAOYSA-N -1 3 287.212 3.185 20 0 CGADHM COc1cccc([C@@H](C)SCc2nc(C)cc(=O)[n-]2)c1 ZINC001165815528 807020963 /nfs/dbraw/zinc/02/09/63/807020963.db2.gz DUWZWCQRQHPOBE-LLVKDONJSA-N -1 3 290.388 3.494 20 0 CGADHM CCCCCC1CCC(Nc2cnc(C)[n-]c2=O)CC1 ZINC001257375166 807131810 /nfs/dbraw/zinc/13/18/10/807131810.db2.gz SXVVYJFIJNUREZ-YMAMQOFZSA-N -1 3 277.412 3.113 20 0 CGADHM Cc1ccc(-c2noc(-c3cncc([O-])c3)n2)cc1C ZINC001212708445 815109463 /nfs/dbraw/zinc/10/94/63/815109463.db2.gz IISLZPMACWGBEP-UHFFFAOYSA-N -1 3 267.288 3.121 20 0 CGADHM CC(=O)c1cc(-c2nnc(CCC(C)C)o2)ccc1[O-] ZINC001258270771 807387948 /nfs/dbraw/zinc/38/79/48/807387948.db2.gz REUBVWCLFOEINT-UHFFFAOYSA-N -1 3 274.320 3.233 20 0 CGADHM CC(C)CCc1nnc(-c2nc3ccc(Cl)[n-]c-3n2)o1 ZINC001258282523 807393883 /nfs/dbraw/zinc/39/38/83/807393883.db2.gz JSTLZRVPYNXHCH-UHFFFAOYSA-N -1 3 291.742 3.250 20 0 CGADHM CC(C)CCc1nnc(-c2nc3nc(Cl)ccc3[n-]2)o1 ZINC001258282523 807393892 /nfs/dbraw/zinc/39/38/92/807393892.db2.gz JSTLZRVPYNXHCH-UHFFFAOYSA-N -1 3 291.742 3.250 20 0 CGADHM CC(C)CCc1nnc(-c2nc3ccc(Cl)nc3[n-]2)o1 ZINC001258282523 807393899 /nfs/dbraw/zinc/39/38/99/807393899.db2.gz JSTLZRVPYNXHCH-UHFFFAOYSA-N -1 3 291.742 3.250 20 0 CGADHM CC[C@H](C)C[C@H](C)Nc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001168691198 807482209 /nfs/dbraw/zinc/48/22/09/807482209.db2.gz DAXLDVSQFCPVLA-UWVGGRQHSA-N -1 3 277.347 3.242 20 0 CGADHM CC[C@H](C)C[C@H](C)Nc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001168691198 807482213 /nfs/dbraw/zinc/48/22/13/807482213.db2.gz DAXLDVSQFCPVLA-UWVGGRQHSA-N -1 3 277.347 3.242 20 0 CGADHM CC(C)(C)CC(C)(C)Nc1ccccc1-c1nnn[n-]1 ZINC001169052621 807561226 /nfs/dbraw/zinc/56/12/26/807561226.db2.gz MPUZPIIQSLAIHZ-UHFFFAOYSA-N -1 3 273.384 3.493 20 0 CGADHM CC(C)(C)CC(C)(C)Nc1ccccc1-c1nn[n-]n1 ZINC001169052621 807561230 /nfs/dbraw/zinc/56/12/30/807561230.db2.gz MPUZPIIQSLAIHZ-UHFFFAOYSA-N -1 3 273.384 3.493 20 0 CGADHM CCOc1ccc(C)cc1[N-]S(=O)(=O)C1CCCC1 ZINC001259800928 807685495 /nfs/dbraw/zinc/68/54/95/807685495.db2.gz PLMCDINZSVNELD-UHFFFAOYSA-N -1 3 283.393 3.078 20 0 CGADHM CC[C@@H](C)S(=O)(=O)[N-]c1ccccc1C(F)(F)F ZINC001260724208 807700416 /nfs/dbraw/zinc/70/04/16/807700416.db2.gz VEWPVUHXLSGKPD-MRVPVSSYSA-N -1 3 281.299 3.246 20 0 CGADHM CCN(CC)c1c(F)cccc1NCc1ncccc1[O-] ZINC001169736286 807701342 /nfs/dbraw/zinc/70/13/42/807701342.db2.gz GOBBRUKFWDGKMV-UHFFFAOYSA-N -1 3 289.354 3.385 20 0 CGADHM CC(C)(C)c1ccc(NCc2ncccc2[O-])cn1 ZINC001169732608 807701448 /nfs/dbraw/zinc/70/14/48/807701448.db2.gz MWMYSGIIPPQUJZ-UHFFFAOYSA-N -1 3 257.337 3.092 20 0 CGADHM Cc1cnc2ccccc2c1N1CCC[C@H](CC(=O)[O-])C1 ZINC001261374007 807740660 /nfs/dbraw/zinc/74/06/60/807740660.db2.gz XOORLOJWZULUKD-CYBMUJFWSA-N -1 3 284.359 3.234 20 0 CGADHM O=C(Oc1ccccc1F)c1cccc(Cl)c1[O-] ZINC001264305137 808056040 /nfs/dbraw/zinc/05/60/40/808056040.db2.gz KNMOVUJHGFCIRX-UHFFFAOYSA-N -1 3 266.655 3.404 20 0 CGADHM COc1cc(O)ccc1Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001213094693 815232409 /nfs/dbraw/zinc/23/24/09/815232409.db2.gz LVLCSFFXHYVCIU-UHFFFAOYSA-N -1 3 297.314 3.036 20 0 CGADHM CS(=O)(=O)c1ccccc1Nc1cccc([O-])c1Cl ZINC001173988952 808807633 /nfs/dbraw/zinc/80/76/33/808807633.db2.gz BQCCGNWNLUQATH-UHFFFAOYSA-N -1 3 297.763 3.193 20 0 CGADHM COc1cccc(Nc2ncc(Cl)cc2[O-])c1OC ZINC001174015098 808823423 /nfs/dbraw/zinc/82/34/23/808823423.db2.gz SCPSZAMKCJXEBU-UHFFFAOYSA-N -1 3 280.711 3.201 20 0 CGADHM CC(C)Oc1ccc(Nc2cc(=O)[n-]c(=S)[nH]2)cc1 ZINC001174107386 808869895 /nfs/dbraw/zinc/86/98/95/808869895.db2.gz GAVHGXQZFOSQIC-UHFFFAOYSA-N -1 3 277.349 3.002 20 0 CGADHM [O-]c1cc(F)c(Nc2cccc3n[nH]cc32)cc1F ZINC001174345193 808966654 /nfs/dbraw/zinc/96/66/54/808966654.db2.gz MWGANBVBRFZTII-UHFFFAOYSA-N -1 3 261.231 3.290 20 0 CGADHM [O-]c1cc(F)c(Nc2cccc3[nH]ncc32)cc1F ZINC001174345193 808966660 /nfs/dbraw/zinc/96/66/60/808966660.db2.gz MWGANBVBRFZTII-UHFFFAOYSA-N -1 3 261.231 3.290 20 0 CGADHM Cc1nc(Nc2ccc(F)c(Cl)c2F)cc(=O)[n-]1 ZINC001213200888 815253381 /nfs/dbraw/zinc/25/33/81/815253381.db2.gz PENCRIQWKNFMTH-UHFFFAOYSA-N -1 3 271.654 3.166 20 0 CGADHM CCc1cc(C(=O)[N-]c2ccc(F)cc2SC)no1 ZINC001277095030 809058574 /nfs/dbraw/zinc/05/85/74/809058574.db2.gz PWHFVFCOYYWDER-UHFFFAOYSA-N -1 3 280.324 3.350 20 0 CGADHM O=C1CCc2ccc(Nc3ccc([O-])c(F)c3)cc21 ZINC001174734791 809146355 /nfs/dbraw/zinc/14/63/55/809146355.db2.gz IHZUHRORHZDOSD-UHFFFAOYSA-N -1 3 257.264 3.404 20 0 CGADHM Cn1cnc([N-]c2cccc3c4ccccc4oc32)n1 ZINC001174855383 809179310 /nfs/dbraw/zinc/17/93/10/809179310.db2.gz KPADOYSIPXXZPU-UHFFFAOYSA-N -1 3 264.288 3.458 20 0 CGADHM [O-]c1c(F)cc(Nc2snc3cccnc32)cc1F ZINC001213377652 815273439 /nfs/dbraw/zinc/27/34/39/815273439.db2.gz VDXDLLPSVAHEFM-UHFFFAOYSA-N -1 3 279.271 3.419 20 0 CGADHM [O-]c1c(F)cc(Nc2ccc3nsnc3c2)cc1F ZINC001213379376 815273453 /nfs/dbraw/zinc/27/34/53/815273453.db2.gz SXRSEIRRYQZSMT-UHFFFAOYSA-N -1 3 279.271 3.419 20 0 CGADHM COC(=O)Cc1cccc(Nc2cc(F)c([O-])c(F)c2)c1 ZINC001213384271 815274457 /nfs/dbraw/zinc/27/44/57/815274457.db2.gz BOPPYDWJJDZCCG-UHFFFAOYSA-N -1 3 293.269 3.130 20 0 CGADHM Nc1cc(Cl)cc2c1cnn2-c1cc(F)c([O-])c(F)c1 ZINC001213386602 815275269 /nfs/dbraw/zinc/27/52/69/815275269.db2.gz LAYQUOFFTGYULF-UHFFFAOYSA-N -1 3 295.676 3.245 20 0 CGADHM CCOC(=O)c1cnoc1[N-]c1cc(F)ccc1OCC ZINC001175079651 809261277 /nfs/dbraw/zinc/26/12/77/809261277.db2.gz NDIZMKKKTZEZNZ-UHFFFAOYSA-N -1 3 294.282 3.133 20 0 CGADHM Cc1cccc(O)c1Nc1c(F)cc([O-])cc1F ZINC001175096527 809269023 /nfs/dbraw/zinc/26/90/23/809269023.db2.gz CQAPBTXSPUJUJG-UHFFFAOYSA-N -1 3 251.232 3.428 20 0 CGADHM [O-]c1cc(F)c(Nc2cccc(C3OCCO3)c2)c(F)c1 ZINC001175097062 809269597 /nfs/dbraw/zinc/26/95/97/809269597.db2.gz MVHUYFGSHFRQFP-UHFFFAOYSA-N -1 3 293.269 3.459 20 0 CGADHM O=C1Cc2ccc(Nc3cc(F)c([O-])c(F)c3)cc2C1 ZINC001213388758 815275746 /nfs/dbraw/zinc/27/57/46/815275746.db2.gz LBZYOHZEPUOBMN-UHFFFAOYSA-N -1 3 275.254 3.082 20 0 CGADHM [O-]c1cc(F)c(Nc2cc(F)cc(F)c2O)c(F)c1 ZINC001175102273 809272708 /nfs/dbraw/zinc/27/27/08/809272708.db2.gz FSZUVEYCVWJZNG-UHFFFAOYSA-N -1 3 273.185 3.398 20 0 CGADHM [O-]c1cccc2sc(Nc3cc(CO)ccc3F)nc21 ZINC001175127731 809282404 /nfs/dbraw/zinc/28/24/04/809282404.db2.gz HENXQKNBELXCBB-UHFFFAOYSA-N -1 3 290.319 3.377 20 0 CGADHM [O-]c1cc(F)cnc1Nc1ccc(Cl)c(F)c1 ZINC001175205189 809306884 /nfs/dbraw/zinc/30/68/84/809306884.db2.gz CUPBJMKRAJJXQH-UHFFFAOYSA-N -1 3 256.639 3.462 20 0 CGADHM CC(=O)c1ccc(Nc2cc(=O)[n-]c(C3CC3)n2)cc1F ZINC001175228539 809316941 /nfs/dbraw/zinc/31/69/41/809316941.db2.gz YRPLLGHDQAKEFE-UHFFFAOYSA-N -1 3 287.294 3.145 20 0 CGADHM CC(C)(C)n1cc(Nc2c(F)ccc([O-])c2F)cn1 ZINC001175262259 809327796 /nfs/dbraw/zinc/32/77/96/809327796.db2.gz ASGFJYQNPFJXEJ-UHFFFAOYSA-N -1 3 267.279 3.366 20 0 CGADHM [O-]c1ccc(F)c(Nc2ncc3ccccc3n2)c1F ZINC001175261873 809327960 /nfs/dbraw/zinc/32/79/60/809327960.db2.gz UJBBJGJJHBKYFM-UHFFFAOYSA-N -1 3 273.242 3.357 20 0 CGADHM COc1ccc(Nc2c(F)ccc([O-])c2F)c(C)n1 ZINC001175261577 809328451 /nfs/dbraw/zinc/32/84/51/809328451.db2.gz NFRCZWQSRYBRKK-UHFFFAOYSA-N -1 3 266.247 3.126 20 0 CGADHM Oc1ccc(F)c([N-]c2cc(C(F)(F)F)no2)c1F ZINC001175262483 809328537 /nfs/dbraw/zinc/32/85/37/809328537.db2.gz GOWSXYDJICMRAN-UHFFFAOYSA-N -1 3 280.152 3.421 20 0 CGADHM COc1cc(Nc2c(F)ccc([O-])c2F)cc(C)n1 ZINC001175262882 809329261 /nfs/dbraw/zinc/32/92/61/809329261.db2.gz AYRBCKVUBQXWCX-UHFFFAOYSA-N -1 3 266.247 3.126 20 0 CGADHM COc1cc(Nc2c(F)ccc([O-])c2F)ncc1C ZINC001175264831 809329766 /nfs/dbraw/zinc/32/97/66/809329766.db2.gz IWLPEAHCINISMM-UHFFFAOYSA-N -1 3 266.247 3.126 20 0 CGADHM CCc1cccnc1Nc1c(F)ccc([O-])c1F ZINC001175263897 809329856 /nfs/dbraw/zinc/32/98/56/809329856.db2.gz WDAGDUUUDYCYBM-UHFFFAOYSA-N -1 3 250.248 3.371 20 0 CGADHM [O-]c1ccc(F)c(Nc2ccc(N3CCCC3)nc2)c1F ZINC001175266660 809331895 /nfs/dbraw/zinc/33/18/95/809331895.db2.gz VZDMFJQJTZEWFE-UHFFFAOYSA-N -1 3 291.301 3.409 20 0 CGADHM [O-]c1ccc(F)c(Nc2cccc3cnncc32)c1F ZINC001175268986 809333302 /nfs/dbraw/zinc/33/33/02/809333302.db2.gz UWOKDUPBGYKZMZ-UHFFFAOYSA-N -1 3 273.242 3.357 20 0 CGADHM COC(=O)Cc1cccc(Nc2c(F)ccc([O-])c2F)c1 ZINC001175268555 809333313 /nfs/dbraw/zinc/33/33/13/809333313.db2.gz UBUWXXJDVBXTMO-UHFFFAOYSA-N -1 3 293.269 3.130 20 0 CGADHM C[S@@](=O)c1ccccc1Nc1cc([O-])c(F)cc1F ZINC001175309452 809348616 /nfs/dbraw/zinc/34/86/16/809348616.db2.gz PNTGJWMPAMBDAT-LJQANCHMSA-N -1 3 283.299 3.151 20 0 CGADHM CN(C)c1nc(Nc2ccc(C3CC3)cc2F)cc(=O)[n-]1 ZINC001213457155 815284916 /nfs/dbraw/zinc/28/49/16/815284916.db2.gz NLCSNPHMDRKHRE-UHFFFAOYSA-N -1 3 288.326 3.008 20 0 CGADHM COc1ncc([N-]c2nc(-c3ccncc3)cs2)s1 ZINC001175386508 809386238 /nfs/dbraw/zinc/38/62/38/809386238.db2.gz AJBGEORKLJKRCR-UHFFFAOYSA-N -1 3 290.373 3.414 20 0 CGADHM COc1cc([N-]c2nnc(C(C)(C)C)o2)ccc1F ZINC001175392947 809388353 /nfs/dbraw/zinc/38/83/53/809388353.db2.gz GLULTELEBINIEC-UHFFFAOYSA-N -1 3 265.288 3.258 20 0 CGADHM CCOc1ccccc1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175429686 809401558 /nfs/dbraw/zinc/40/15/58/809401558.db2.gz MTVXQYWUGKGVJY-UHFFFAOYSA-N -1 3 281.319 3.009 20 0 CGADHM CCOc1c(F)cccc1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175431829 809402776 /nfs/dbraw/zinc/40/27/76/809402776.db2.gz OXDDQTKVVZJQBG-UHFFFAOYSA-N -1 3 299.309 3.148 20 0 CGADHM COc1cccc([O-])c1C(=O)N[C@H]1CCC[C@@H](C(C)C)C1 ZINC001293135150 809443923 /nfs/dbraw/zinc/44/39/23/809443923.db2.gz UWKVBMQDUNSHRS-OLZOCXBDSA-N -1 3 291.391 3.345 20 0 CGADHM CCCC[C@@H](COC)NC(=O)c1cc(SC)ccc1[O-] ZINC001293689666 809453213 /nfs/dbraw/zinc/45/32/13/809453213.db2.gz AALJNQGLHCYGHJ-NSHDSACASA-N -1 3 297.420 3.049 20 0 CGADHM CC(C)c1cc(NC(=O)c2cc([O-])ccc2Cl)no1 ZINC001294100123 809460975 /nfs/dbraw/zinc/46/09/75/809460975.db2.gz YNAHLFWKPIHQJJ-UHFFFAOYSA-N -1 3 280.711 3.409 20 0 CGADHM Cn1cc2c(cccc2Nc2ncc(Cl)cc2[O-])n1 ZINC001175589951 809465205 /nfs/dbraw/zinc/46/52/05/809465205.db2.gz ZWFCULYXTOAQSG-UHFFFAOYSA-N -1 3 274.711 3.071 20 0 CGADHM COc1cc(Nc2nc3c(cccc3[O-])s2)c(F)cn1 ZINC001175688381 809504792 /nfs/dbraw/zinc/50/47/92/809504792.db2.gz SNBARGNIHZIJMU-UHFFFAOYSA-N -1 3 291.307 3.288 20 0 CGADHM CC(C)n1ccnc1C(=O)Nc1c([O-])cccc1Cl ZINC001298549739 809533529 /nfs/dbraw/zinc/53/35/29/809533529.db2.gz BPBCDNVEBMHJOY-UHFFFAOYSA-N -1 3 279.727 3.075 20 0 CGADHM COCCOc1ccc(Nc2cc(F)c([O-])c(F)c2)cc1 ZINC001175784929 809541134 /nfs/dbraw/zinc/54/11/34/809541134.db2.gz BQQCPPYAJDXWNC-UHFFFAOYSA-N -1 3 295.285 3.439 20 0 CGADHM O=C(NCc1ccnc(Cl)c1)c1cc([O-])ccc1Cl ZINC001299331452 809548031 /nfs/dbraw/zinc/54/80/31/809548031.db2.gz QYLLUMNWRHDYPA-UHFFFAOYSA-N -1 3 297.141 3.024 20 0 CGADHM CC1(C)CCCC[C@H]1CC(=O)[N-]OCC1CCC1 ZINC001301102442 809579088 /nfs/dbraw/zinc/57/90/88/809579088.db2.gz FEPMYZUXKNBRAI-ZDUSSCGKSA-N -1 3 253.386 3.441 20 0 CGADHM CSc1ccc([O-])c(C(=O)NC(C)(C2CC2)C2CC2)c1 ZINC001301204892 809580023 /nfs/dbraw/zinc/58/00/23/809580023.db2.gz MZFOSVICUKXQRW-UHFFFAOYSA-N -1 3 291.416 3.423 20 0 CGADHM CSc1ccc([O-])c(C(=O)N[C@@]2(C)CC2(C)C)c1 ZINC001301266154 809580719 /nfs/dbraw/zinc/58/07/19/809580719.db2.gz QRJNCSFHQSZWIY-AWEZNQCLSA-N -1 3 265.378 3.033 20 0 CGADHM [O-]c1cc(Cl)cnc1Nc1cccc2c1OCC2 ZINC001176076856 809616525 /nfs/dbraw/zinc/61/65/25/809616525.db2.gz KXYJBIGZFXYNRE-UHFFFAOYSA-N -1 3 262.696 3.119 20 0 CGADHM COc1c(Cl)cc(Nc2cnc[n-]c2=O)cc1Cl ZINC001176310591 809666010 /nfs/dbraw/zinc/66/60/10/809666010.db2.gz SZFBFQIMWJWFIZ-UHFFFAOYSA-N -1 3 286.118 3.241 20 0 CGADHM CCc1ccc(C(=O)N[C@H](c2ccncc2)C2CC2)c([O-])c1 ZINC001180140595 809977615 /nfs/dbraw/zinc/97/76/15/809977615.db2.gz YPIIPITZOHGLHZ-KRWDZBQOSA-N -1 3 296.370 3.231 20 0 CGADHM CCCCOc1ccc(C(=O)NCC2=CCCC2)c([O-])c1 ZINC001184020371 810174882 /nfs/dbraw/zinc/17/48/82/810174882.db2.gz ABMASOUWKXFUBM-UHFFFAOYSA-N -1 3 289.375 3.411 20 0 CGADHM O=C(NCC1CCCCC1)Nc1ncc([O-])cc1Cl ZINC001186854449 810366127 /nfs/dbraw/zinc/36/61/27/810366127.db2.gz QPAPECOGWLKAQH-UHFFFAOYSA-N -1 3 283.759 3.142 20 0 CGADHM Cc1cc(C)c(NC(=O)c2[n-]nnc2C(F)(F)F)cc1C ZINC001187765995 810423684 /nfs/dbraw/zinc/42/36/84/810423684.db2.gz AEAIDLVWEFDPPK-UHFFFAOYSA-N -1 3 298.268 3.001 20 0 CGADHM Cc1cc(C)c(NC(=O)c2nn[n-]c2C(F)(F)F)cc1C ZINC001187765995 810423688 /nfs/dbraw/zinc/42/36/88/810423688.db2.gz AEAIDLVWEFDPPK-UHFFFAOYSA-N -1 3 298.268 3.001 20 0 CGADHM O=C(Nc1cncc([O-])c1)c1cccnc1-c1ccccc1 ZINC001187813281 810426432 /nfs/dbraw/zinc/42/64/32/810426432.db2.gz VZZYJFOCUHJUHQ-UHFFFAOYSA-N -1 3 291.310 3.102 20 0 CGADHM CSc1ccc(NC(=O)Nc2cncc([O-])c2)cc1 ZINC001188076054 810451023 /nfs/dbraw/zinc/45/10/23/810451023.db2.gz YJGXTMRETAPQRN-UHFFFAOYSA-N -1 3 275.333 3.153 20 0 CGADHM O=C(Nc1ccc(F)c([O-])c1)c1cccc(-c2cn[nH]c2)c1 ZINC001189242319 810551718 /nfs/dbraw/zinc/55/17/18/810551718.db2.gz PNVQZPSLFSIKHR-UHFFFAOYSA-N -1 3 297.289 3.174 20 0 CGADHM O=C(Nc1nccs1)Nc1cc([O-])cc(Cl)c1 ZINC001189383629 810565678 /nfs/dbraw/zinc/56/56/78/810565678.db2.gz BXSCHLUPNHVFOE-UHFFFAOYSA-N -1 3 269.713 3.146 20 0 CGADHM COc1ccsc1C(=O)Nc1cc([O-])cc(Cl)c1 ZINC001191766375 810738050 /nfs/dbraw/zinc/73/80/50/810738050.db2.gz AQWAQRAMGUOTGC-UHFFFAOYSA-N -1 3 283.736 3.368 20 0 CGADHM C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1[O-])c1ccno1 ZINC001192341642 810788369 /nfs/dbraw/zinc/78/83/69/810788369.db2.gz YQGZKXDVYFXZOV-JTQLQIEISA-N -1 3 288.347 3.169 20 0 CGADHM Cc1cccc2ccc([N-]S(=O)(=O)CC3CCC3)nc12 ZINC001193473972 810892549 /nfs/dbraw/zinc/89/25/49/810892549.db2.gz FNGIEIZMUJSHLF-UHFFFAOYSA-N -1 3 290.388 3.085 20 0 CGADHM Nc1cccc(C(=S)Nc2ccc(Cl)cc2[O-])c1 ZINC001214411848 815406163 /nfs/dbraw/zinc/40/61/63/815406163.db2.gz QFKFXGRFZIDRNO-UHFFFAOYSA-N -1 3 278.764 3.415 20 0 CGADHM COCOc1cccc(F)c1Nc1ncc(Cl)cc1[O-] ZINC001214433124 815407597 /nfs/dbraw/zinc/40/75/97/815407597.db2.gz XLVRZBTXTDUOPO-UHFFFAOYSA-N -1 3 298.701 3.306 20 0 CGADHM COC(=O)c1cccc([O-])c1NC(=O)OC1CCCCC1 ZINC001193633037 810924738 /nfs/dbraw/zinc/92/47/38/810924738.db2.gz YMYVYZXOSCNCJD-UHFFFAOYSA-N -1 3 293.319 3.060 20 0 CGADHM Cc1cc(O)cc([O-])c1C(=O)N[C@@H](C)CCCC(C)C ZINC001193937452 810981911 /nfs/dbraw/zinc/98/19/11/810981911.db2.gz HYNWACIKMCEJEG-LBPRGKRZSA-N -1 3 279.380 3.351 20 0 CGADHM Cc1cc(O)cc([O-])c1C(=O)N[C@H]1C[C@H](C)c2ccccc21 ZINC001193946613 810984647 /nfs/dbraw/zinc/98/46/47/810984647.db2.gz VUMYZZLIQRHRDY-BONVTDFDSA-N -1 3 297.354 3.385 20 0 CGADHM Cc1cccc(C2(NC(=O)c3c(C)cc(O)cc3[O-])CC2)c1 ZINC001193953691 810985734 /nfs/dbraw/zinc/98/57/34/810985734.db2.gz YPCPRTQHHKZINM-UHFFFAOYSA-N -1 3 297.354 3.134 20 0 CGADHM [O-]c1ccc(Cl)c(Nc2ccc(Cl)nn2)c1F ZINC001214554201 815423369 /nfs/dbraw/zinc/42/33/69/815423369.db2.gz LMRMZJKNBBLPMV-UHFFFAOYSA-N -1 3 274.082 3.372 20 0 CGADHM [O-]c1ccc(Cl)c(Nc2ncccc2O)c1F ZINC001214554411 815423543 /nfs/dbraw/zinc/42/35/43/815423543.db2.gz QNEOVCKSBPSYOU-UHFFFAOYSA-N -1 3 254.648 3.029 20 0 CGADHM [O-]c1ccc(Cl)c(Nc2cncc(Cl)n2)c1F ZINC001214554221 815423645 /nfs/dbraw/zinc/42/36/45/815423645.db2.gz MKNLWOOQQBMEGG-UHFFFAOYSA-N -1 3 274.082 3.372 20 0 CGADHM Cc1ccnnc1Nc1c(Cl)ccc([O-])c1F ZINC001214558448 815424277 /nfs/dbraw/zinc/42/42/77/815424277.db2.gz VNYJGDQQQGWXIK-UHFFFAOYSA-N -1 3 253.664 3.027 20 0 CGADHM O=C(Nc1cncc([O-])c1)c1sccc1C(F)(F)F ZINC001195206315 811225707 /nfs/dbraw/zinc/22/57/07/811225707.db2.gz MAHXOXOYBLQGJX-UHFFFAOYSA-N -1 3 288.250 3.120 20 0 CGADHM Cc1ccc(F)cc1NC(=S)Nc1ncccc1[O-] ZINC001195883220 811299450 /nfs/dbraw/zinc/29/94/50/811299450.db2.gz JSEIGONKHUQTJN-UHFFFAOYSA-N -1 3 277.324 3.044 20 0 CGADHM CC[C@@H](C)CNC(=S)Nc1ccc([O-])c(Cl)c1 ZINC001200253815 811655166 /nfs/dbraw/zinc/65/51/66/811655166.db2.gz JMPFIPQMNDMRCZ-MRVPVSSYSA-N -1 3 272.801 3.378 20 0 CGADHM CC(=O)c1ccc(Cl)cc1Nc1cncc([O-])c1 ZINC001201642638 811929347 /nfs/dbraw/zinc/92/93/47/811929347.db2.gz XSBRLXLEMOPAGO-UHFFFAOYSA-N -1 3 262.696 3.387 20 0 CGADHM O=C(Nc1cncc([O-])c1)Nc1ccccc1Cl ZINC001202054107 812005721 /nfs/dbraw/zinc/00/57/21/812005721.db2.gz YUMMXCIWKOGEIW-UHFFFAOYSA-N -1 3 263.684 3.085 20 0 CGADHM O=C(Nc1ccc(F)cc1)Nc1ccc(F)c([O-])c1 ZINC001202355279 812072326 /nfs/dbraw/zinc/07/23/26/812072326.db2.gz MAHULERRAPVXTB-UHFFFAOYSA-N -1 3 264.231 3.314 20 0 CGADHM Cc1ccc(NC(=O)Nc2cc(F)ccc2[O-])cc1 ZINC001202431634 812090656 /nfs/dbraw/zinc/09/06/56/812090656.db2.gz HOMOJXJBJSZJMG-UHFFFAOYSA-N -1 3 260.268 3.484 20 0 CGADHM [O-]c1cccc(O)c1-c1nc(-c2ccc(F)cc2F)no1 ZINC001215299900 815504324 /nfs/dbraw/zinc/50/43/24/815504324.db2.gz GXFPREZUDBAYLG-UHFFFAOYSA-N -1 3 290.225 3.093 20 0 CGADHM Cc1ccc(NC(=O)Nc2cc(=O)[n-]c(C3CC3)n2)c(C)c1 ZINC001202739873 812163093 /nfs/dbraw/zinc/16/30/93/812163093.db2.gz YOTFWDDSVWCDHI-UHFFFAOYSA-N -1 3 298.346 3.320 20 0 CGADHM NC(=O)c1ccc(Nc2cccc(Cl)c2F)cc1[O-] ZINC001203040080 812225177 /nfs/dbraw/zinc/22/51/77/812225177.db2.gz XCPDANPYMSGLFS-UHFFFAOYSA-N -1 3 280.686 3.027 20 0 CGADHM CC(=O)c1cc(-c2nc(-c3cnccc3C)no2)ccc1[O-] ZINC001215365094 815510165 /nfs/dbraw/zinc/51/01/65/815510165.db2.gz JPEUKEBBBYGYHG-UHFFFAOYSA-N -1 3 295.298 3.015 20 0 CGADHM [O-]c1ccc(Nc2cccc(CCO)c2)cc1Cl ZINC001203117459 812245330 /nfs/dbraw/zinc/24/53/30/812245330.db2.gz SUFPLRSDIXBWRY-UHFFFAOYSA-N -1 3 263.724 3.324 20 0 CGADHM CCc1nc(OC)ccc1[N-]c1nnc(C(C)(C)C)o1 ZINC001203584392 812399693 /nfs/dbraw/zinc/39/96/93/812399693.db2.gz JECXWVOCROZIPR-UHFFFAOYSA-N -1 3 276.340 3.077 20 0 CGADHM [O-]c1cc(F)c(Nc2cnc3ccc(Cl)nn23)cc1F ZINC001215571110 815537227 /nfs/dbraw/zinc/53/72/27/815537227.db2.gz YNUBMDUVHWZWQZ-UHFFFAOYSA-N -1 3 296.664 3.110 20 0 CGADHM COCc1ccc(Cl)c(Nc2cc(=O)[n-]c(C)n2)c1 ZINC001215595570 815543317 /nfs/dbraw/zinc/54/33/17/815543317.db2.gz KWQVOJQTLOWMNW-UHFFFAOYSA-N -1 3 279.727 3.034 20 0 CGADHM COCc1cc(-c2ccc([O-])cc2F)nc(C(C)(C)C)n1 ZINC001206044457 813179561 /nfs/dbraw/zinc/17/95/61/813179561.db2.gz MEZZUFZPTJNWKW-UHFFFAOYSA-N -1 3 290.338 3.432 20 0 CGADHM COC(=O)c1c(F)ccc(-c2ccc([O-])cc2F)c1F ZINC001206057450 813183994 /nfs/dbraw/zinc/18/39/94/813183994.db2.gz DAYGGVUPUPFQDF-UHFFFAOYSA-N -1 3 282.217 3.263 20 0 CGADHM COC(=O)c1cc(F)c(F)cc1-c1ccc([O-])cc1F ZINC001206057734 813184623 /nfs/dbraw/zinc/18/46/23/813184623.db2.gz LLMYVLRBUIFGBR-UHFFFAOYSA-N -1 3 282.217 3.263 20 0 CGADHM CCS(=O)(=O)c1ccc(F)c(-c2ccc([O-])cc2F)c1 ZINC001206072634 813190392 /nfs/dbraw/zinc/19/03/92/813190392.db2.gz CKKJGETYZSRRLV-UHFFFAOYSA-N -1 3 298.310 3.131 20 0 CGADHM Cc1cc(N(C)C)ncc1Nc1cc([O-])c(F)cc1F ZINC001206744254 813417363 /nfs/dbraw/zinc/41/73/63/813417363.db2.gz RXNUVKFCHWHSKS-UHFFFAOYSA-N -1 3 279.290 3.183 20 0 CGADHM COc1ccc(C(C)=O)c(Nc2cc([O-])cc(F)c2)c1 ZINC001208126722 813699714 /nfs/dbraw/zinc/69/97/14/813699714.db2.gz YWBHGUBWNWJJGQ-UHFFFAOYSA-N -1 3 275.279 3.486 20 0 CGADHM [O-]c1c(F)cc(Nc2ccc3c(c2)NCCO3)cc1F ZINC001209796282 814143910 /nfs/dbraw/zinc/14/39/10/814143910.db2.gz KGGLSKURBBWRMP-UHFFFAOYSA-N -1 3 278.258 3.218 20 0 CGADHM Cc1nc([N-]c2ncccc2F)nc(C)c1Br ZINC001209803769 814148993 /nfs/dbraw/zinc/14/89/93/814148993.db2.gz DXQLIYZLOKUAMZ-UHFFFAOYSA-N -1 3 297.131 3.134 20 0 CGADHM CCOc1ccc(Nc2cnc(C)[n-]c2=O)c(Cl)c1 ZINC001209893916 814191483 /nfs/dbraw/zinc/19/14/83/814191483.db2.gz ZXIFAMDAUBEZPO-UHFFFAOYSA-N -1 3 279.727 3.286 20 0 CGADHM COc1ccc(Nc2cc(=O)[n-]c(C)n2)c2ccccc12 ZINC001209924290 814201346 /nfs/dbraw/zinc/20/13/46/814201346.db2.gz OCCOLDMZAXXQMD-UHFFFAOYSA-N -1 3 281.315 3.396 20 0 CGADHM CC(C)Oc1ccccc1Nc1cc(=O)[n-]c(=S)[nH]1 ZINC001210023073 814249104 /nfs/dbraw/zinc/24/91/04/814249104.db2.gz RNOLAYVZLVYLAZ-UHFFFAOYSA-N -1 3 277.349 3.002 20 0 CGADHM CC(=O)c1cccnc1Nc1cccc(Cl)c1[O-] ZINC001210215297 814345320 /nfs/dbraw/zinc/34/53/20/814345320.db2.gz CUEPCQSNMXBDAH-UHFFFAOYSA-N -1 3 262.696 3.387 20 0 CGADHM [O-]c1c(Cl)cccc1Nc1cnc(F)c(F)c1 ZINC001210219442 814347078 /nfs/dbraw/zinc/34/70/78/814347078.db2.gz JCIORSXXAYLPCO-UHFFFAOYSA-N -1 3 256.639 3.462 20 0 CGADHM Cc1ccc(Nc2cccc(Cl)c2[O-])c(C(N)=O)c1 ZINC001210222949 814351631 /nfs/dbraw/zinc/35/16/31/814351631.db2.gz FOXDHEUTXJMLRB-UHFFFAOYSA-N -1 3 276.723 3.197 20 0 CGADHM CSc1cccc(Nc2cc(=O)[n-]c(C)n2)c1F ZINC001215867383 815617633 /nfs/dbraw/zinc/61/76/33/815617633.db2.gz ZYNCBUKEWHKQQJ-UHFFFAOYSA-N -1 3 265.313 3.095 20 0 CGADHM [O-]c1cc(Nc2cncc(N3CCCC3)c2)c(F)cc1F ZINC001210609756 814554402 /nfs/dbraw/zinc/55/44/02/814554402.db2.gz NZVZWQWSAJNTCS-UHFFFAOYSA-N -1 3 291.301 3.409 20 0 CGADHM CCOC(=O)c1cnoc1[N-]c1cnc2sccc2c1 ZINC001210691487 814586386 /nfs/dbraw/zinc/58/63/86/814586386.db2.gz AFWPLNZZKQWEQZ-UHFFFAOYSA-N -1 3 289.316 3.205 20 0 CGADHM Fc1cc(-c2ccccc2-c2nnn[n-]2)cc(F)c1Cl ZINC001242797659 823135424 /nfs/dbraw/zinc/13/54/24/823135424.db2.gz QWJIEVXLUQDHQO-UHFFFAOYSA-N -1 3 292.676 3.465 20 0 CGADHM Fc1cc(-c2ccccc2-c2nn[n-]n2)cc(F)c1Cl ZINC001242797659 823135426 /nfs/dbraw/zinc/13/54/26/823135426.db2.gz QWJIEVXLUQDHQO-UHFFFAOYSA-N -1 3 292.676 3.465 20 0 CGADHM [O-]c1cccc(Nc2cnc3ccccn23)c1Cl ZINC001210851812 814650811 /nfs/dbraw/zinc/65/08/11/814650811.db2.gz LXLRJUHAPXNPOT-UHFFFAOYSA-N -1 3 259.696 3.437 20 0 CGADHM CNC(=O)c1ccc(Nc2cccc([O-])c2Cl)cc1F ZINC001210859243 814653383 /nfs/dbraw/zinc/65/33/83/814653383.db2.gz CKIBJNRICBNTDL-UHFFFAOYSA-N -1 3 294.713 3.288 20 0 CGADHM CC(C)c1nnc([N-]c2ccc3c(c2)C(=O)CCC3)o1 ZINC001210930893 814677908 /nfs/dbraw/zinc/67/79/08/814677908.db2.gz IIVVNCWGRABUJC-UHFFFAOYSA-N -1 3 271.320 3.456 20 0 CGADHM CN(C)Cc1ccccc1Nc1ccccc1C(=O)[O-] ZINC001210969102 814696201 /nfs/dbraw/zinc/69/62/01/814696201.db2.gz PMSAZFYBSXOAQP-UHFFFAOYSA-N -1 3 270.332 3.190 20 0 CGADHM COc1nccc(Nc2cccc(Cl)c2[O-])c1OC ZINC001211088081 814740291 /nfs/dbraw/zinc/74/02/91/814740291.db2.gz ZHUJMQBXBLKIQK-UHFFFAOYSA-N -1 3 280.711 3.201 20 0 CGADHM Nc1ccc2nn(-c3ccc(F)c([O-])c3)c(Cl)c2c1 ZINC001211216877 814853197 /nfs/dbraw/zinc/85/31/97/814853197.db2.gz QXZZJTXFTBMYNM-UHFFFAOYSA-N -1 3 277.686 3.106 20 0 CGADHM COc1ccc(CO)cc1Nc1ccc([O-])c(Cl)c1 ZINC001211526898 814901107 /nfs/dbraw/zinc/90/11/07/814901107.db2.gz BCYOSJVWMHWPQP-UHFFFAOYSA-N -1 3 279.723 3.290 20 0 CGADHM Nc1c(F)c(F)c(F)cc1Nc1cc(F)c([O-])c(F)c1 ZINC001216010844 815660547 /nfs/dbraw/zinc/66/05/47/815660547.db2.gz KNKGPATZHZPWEG-UHFFFAOYSA-N -1 3 290.191 3.414 20 0 CGADHM Cc1cc(C)c(N)c([N-]c2nnc(C(C)(C)C)o2)c1 ZINC001216095675 815691849 /nfs/dbraw/zinc/69/18/49/815691849.db2.gz LMGMXAUDKHBNNK-UHFFFAOYSA-N -1 3 260.341 3.310 20 0 CGADHM CN(C)c1cc(F)cc(Nc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC001216160718 815716031 /nfs/dbraw/zinc/71/60/31/815716031.db2.gz NAQUARWGQWFKCF-UHFFFAOYSA-N -1 3 288.326 3.008 20 0 CGADHM Cc1cc([O-])c(-c2nc(-c3cccc(F)c3)no2)c(O)c1 ZINC001216267972 815761571 /nfs/dbraw/zinc/76/15/71/815761571.db2.gz YSBWDOZVBJXBOW-UHFFFAOYSA-N -1 3 286.262 3.262 20 0 CGADHM Cc1c(O)cccc1Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001216319513 815780067 /nfs/dbraw/zinc/78/00/67/815780067.db2.gz ZTDIVKZSVFWHFV-UHFFFAOYSA-N -1 3 281.315 3.336 20 0 CGADHM Cc1cccnc1-c1noc(-c2cc([O-])cc(Cl)c2)n1 ZINC001216701783 815894441 /nfs/dbraw/zinc/89/44/41/815894441.db2.gz AUDKHWIHAAMGCY-UHFFFAOYSA-N -1 3 287.706 3.466 20 0 CGADHM [O-]c1ccc(-c2nc(-c3ccncc3)no2)c2cccnc12 ZINC001217491972 815929338 /nfs/dbraw/zinc/92/93/38/815929338.db2.gz NMLVHOLTDZGNIK-UHFFFAOYSA-N -1 3 290.282 3.052 20 0 CGADHM C=C(c1ccccc1)c1ccc(C)c(-c2nnn[n-]2)c1 ZINC001242892198 823165837 /nfs/dbraw/zinc/16/58/37/823165837.db2.gz LERSDKKWOXTORD-UHFFFAOYSA-N -1 3 262.316 3.237 20 0 CGADHM C=C(c1ccccc1)c1ccc(C)c(-c2nn[n-]n2)c1 ZINC001242892198 823165840 /nfs/dbraw/zinc/16/58/40/823165840.db2.gz LERSDKKWOXTORD-UHFFFAOYSA-N -1 3 262.316 3.237 20 0 CGADHM COc1cc(F)c(-c2ccc(F)c([O-])c2)cc1OC ZINC001243046030 823222786 /nfs/dbraw/zinc/22/27/86/823222786.db2.gz FOOZREDSQLODJO-UHFFFAOYSA-N -1 3 266.243 3.355 20 0 CGADHM CC(C)(C)NC(=O)c1ccnc(-c2ccc(F)c([O-])c2)c1 ZINC001243046303 823224050 /nfs/dbraw/zinc/22/40/50/823224050.db2.gz CYFBLLTYAOSAAM-UHFFFAOYSA-N -1 3 288.322 3.122 20 0 CGADHM CC(C)S(=O)(=O)c1cccc(-c2ccc(F)c([O-])c2)c1 ZINC001243046907 823224313 /nfs/dbraw/zinc/22/43/13/823224313.db2.gz ANWCTXNMQUEQSK-UHFFFAOYSA-N -1 3 294.347 3.380 20 0 CGADHM COC(=O)c1cc2ccc(-c3ccc(F)c([O-])c3)cc2n1C ZINC001243046944 823224326 /nfs/dbraw/zinc/22/43/26/823224326.db2.gz BEOVSBINUDGCJM-UHFFFAOYSA-N -1 3 299.301 3.477 20 0 CGADHM [O-]c1cc(-c2ccc(OC(F)F)cn2)ccc1F ZINC001243054974 823229967 /nfs/dbraw/zinc/22/99/67/823229967.db2.gz WRGYTVMILZHUAZ-UHFFFAOYSA-N -1 3 255.195 3.195 20 0 CGADHM CC(C)c1nnc2ccc(-c3ccc(F)c([O-])c3)cn21 ZINC001243062318 823232519 /nfs/dbraw/zinc/23/25/19/823232519.db2.gz NIEGFJNDATWHSJ-UHFFFAOYSA-N -1 3 271.295 3.364 20 0 CGADHM CC[C@H](Oc1nc(=O)[n-]cc1C(F)(F)F)C(C)C ZINC001225577370 817098628 /nfs/dbraw/zinc/09/86/28/817098628.db2.gz WDKGBJHWYFZSSH-QMMMGPOBSA-N -1 3 264.247 3.014 20 0 CGADHM CCC[C@H](CC)Oc1nc(=O)[n-]cc1C(F)(F)F ZINC001225578294 817099567 /nfs/dbraw/zinc/09/95/67/817099567.db2.gz CZIFOCBTQHBOMZ-ZETCQYMHSA-N -1 3 264.247 3.159 20 0 CGADHM CC(C)C[C@H](C)Oc1nc(=O)[n-]cc1C(F)(F)F ZINC001225578222 817099680 /nfs/dbraw/zinc/09/96/80/817099680.db2.gz BWSBALUDKJAMOK-ZETCQYMHSA-N -1 3 264.247 3.014 20 0 CGADHM CCOc1ccc([C@H](C)Oc2nc[n-]c(=O)c2C)cc1 ZINC001226075162 817266635 /nfs/dbraw/zinc/26/66/35/817266635.db2.gz FXVVQNUYWUQWEA-NSHDSACASA-N -1 3 274.320 3.029 20 0 CGADHM C[C@@H](Oc1[n-]c(=S)ncc1C1CC1)c1ccccn1 ZINC001226118200 817277893 /nfs/dbraw/zinc/27/78/93/817277893.db2.gz COVOUYQOOZRJPF-SECBINFHSA-N -1 3 273.361 3.178 20 0 CGADHM CCc1nc(O[C@@H](C)c2ccccc2C)cc(=O)[n-]1 ZINC001226475324 817368092 /nfs/dbraw/zinc/36/80/92/817368092.db2.gz JMEPBISBLDWCHL-NSHDSACASA-N -1 3 258.321 3.193 20 0 CGADHM CC[C@H](Oc1c([O-])ccc(C(C)=O)c1O)C(C)C ZINC001226486864 817373900 /nfs/dbraw/zinc/37/39/00/817373900.db2.gz ZTFZJLFLRYIATB-LBPRGKRZSA-N -1 3 252.310 3.114 20 0 CGADHM CC[C@@H](C)[C@H](C)Oc1c([O-])ccc2ccc(=O)oc21 ZINC001226600596 817409501 /nfs/dbraw/zinc/40/95/01/817409501.db2.gz YKSVSQZQULWJII-ZJUUUORDSA-N -1 3 262.305 3.312 20 0 CGADHM CCCC[C@@H](C)Oc1c([O-])ccc2ccc(=O)oc21 ZINC001226597258 817409882 /nfs/dbraw/zinc/40/98/82/817409882.db2.gz SGVCOKJZMTWMEZ-SNVBAGLBSA-N -1 3 262.305 3.456 20 0 CGADHM Cc1cc(O[C@@H]2CCc3ccccc3C2)[n-]c(=S)n1 ZINC001226798845 817467979 /nfs/dbraw/zinc/46/79/79/817467979.db2.gz MLHJPZLQTGGDAL-CYBMUJFWSA-N -1 3 272.373 3.010 20 0 CGADHM Cc1ccc2c(c1)[C@@H](Oc1cc(C)nc(=S)[n-]1)CC2 ZINC001226800964 817469444 /nfs/dbraw/zinc/46/94/44/817469444.db2.gz KZUFOKZXKVREDO-ZDUSSCGKSA-N -1 3 272.373 3.448 20 0 CGADHM Cc1cc(O[C@@H]2CCc3ccccc32)[n-]c(=S)n1 ZINC001226801068 817469820 /nfs/dbraw/zinc/46/98/20/817469820.db2.gz MYOXDQMQEREOSR-GFCCVEGCSA-N -1 3 258.346 3.140 20 0 CGADHM C[C@@H](Oc1cc(=O)[n-]cn1)c1ccc2ccccc2c1 ZINC001226946192 817512912 /nfs/dbraw/zinc/51/29/12/817512912.db2.gz HDMCLUYDFIXJNW-LLVKDONJSA-N -1 3 266.300 3.475 20 0 CGADHM S=c1nccc(O[C@@H]2CCCc3c(Cl)ccnc32)[n-]1 ZINC001226942627 817513131 /nfs/dbraw/zinc/51/31/31/817513131.db2.gz NVQUIJBVJOCYFN-SNVBAGLBSA-N -1 3 293.779 3.270 20 0 CGADHM CCc1cnc(=S)[n-]c1O[C@@H](C)c1ccccc1OC ZINC001227060876 817546422 /nfs/dbraw/zinc/54/64/22/817546422.db2.gz GHEFYSWXSOEAFL-JTQLQIEISA-N -1 3 290.388 3.476 20 0 CGADHM CN1CCC[C@H](Oc2cc(Cl)c([O-])cc2Cl)C1 ZINC001227640481 817685993 /nfs/dbraw/zinc/68/59/93/817685993.db2.gz BWOANNBTBJDOTR-QMMMGPOBSA-N -1 3 276.163 3.172 20 0 CGADHM CCC[C@H]1CCCC[C@H]1Oc1nc(C(=O)OC)ccc1[O-] ZINC001227824456 817727768 /nfs/dbraw/zinc/72/77/68/817727768.db2.gz IJUGNDJKHQDTCR-SMDDNHRTSA-N -1 3 293.363 3.312 20 0 CGADHM [O-]c1cc(Cl)cnc1OC(C(F)(F)F)C(F)(F)F ZINC001227981212 817771546 /nfs/dbraw/zinc/77/15/46/817771546.db2.gz UQVDPZUKNRWECC-UHFFFAOYSA-N -1 3 295.566 3.313 20 0 CGADHM CC[C@H](COc1cc(-c2ccccc2)nc(=S)[n-]1)OC ZINC001228346955 817883303 /nfs/dbraw/zinc/88/33/03/817883303.db2.gz OVPSHOVOPOKYCX-GFCCVEGCSA-N -1 3 290.388 3.236 20 0 CGADHM Cc1cc(=O)oc2c1ccc([O-])c2O[C@H](C)c1ccccn1 ZINC001228623307 817956014 /nfs/dbraw/zinc/95/60/14/817956014.db2.gz RCVZMTZKDOWYBP-LLVKDONJSA-N -1 3 297.310 3.342 20 0 CGADHM C[C@@H]1C[C@@H](Oc2nnc(-c3cccnc3)[n-]2)CC(C)(C)C1 ZINC001228694788 817974744 /nfs/dbraw/zinc/97/47/44/817974744.db2.gz FVVWJNUUHCIHRQ-DGCLKSJQSA-N -1 3 286.379 3.460 20 0 CGADHM C[C@@H]1C[C@@H](Oc2nc(-c3cccnc3)n[n-]2)CC(C)(C)C1 ZINC001228694788 817974749 /nfs/dbraw/zinc/97/47/49/817974749.db2.gz FVVWJNUUHCIHRQ-DGCLKSJQSA-N -1 3 286.379 3.460 20 0 CGADHM C[C@@H]1C[C@@H](Oc2n[n-]c(-c3cccnc3)n2)CC(C)(C)C1 ZINC001228694788 817974754 /nfs/dbraw/zinc/97/47/54/817974754.db2.gz FVVWJNUUHCIHRQ-DGCLKSJQSA-N -1 3 286.379 3.460 20 0 CGADHM Cc1ccccc1[C@@H](C)Oc1n[n-]c(-c2ccncc2)n1 ZINC001228696561 817976769 /nfs/dbraw/zinc/97/67/69/817976769.db2.gz ADPYLTYNXBTLOP-GFCCVEGCSA-N -1 3 280.331 3.315 20 0 CGADHM Cc1ccccc1[C@H](C)Oc1n[n-]c(-c2ccncc2)n1 ZINC001228696563 817977840 /nfs/dbraw/zinc/97/78/40/817977840.db2.gz ADPYLTYNXBTLOP-LBPRGKRZSA-N -1 3 280.331 3.315 20 0 CGADHM CC(C)CCC[C@H](C)Oc1nnc(-c2cccnc2)[n-]1 ZINC001228699540 817979074 /nfs/dbraw/zinc/97/90/74/817979074.db2.gz YWNXDPHVPBBHDI-LBPRGKRZSA-N -1 3 274.368 3.460 20 0 CGADHM CC(C)CCC[C@H](C)Oc1nc(-c2cccnc2)n[n-]1 ZINC001228699540 817979077 /nfs/dbraw/zinc/97/90/77/817979077.db2.gz YWNXDPHVPBBHDI-LBPRGKRZSA-N -1 3 274.368 3.460 20 0 CGADHM CC(C)CCC[C@H](C)Oc1n[n-]c(-c2cccnc2)n1 ZINC001228699540 817979084 /nfs/dbraw/zinc/97/90/84/817979084.db2.gz YWNXDPHVPBBHDI-LBPRGKRZSA-N -1 3 274.368 3.460 20 0 CGADHM CC(C)C[C@H](Oc1nnc(-c2cccnc2)[n-]1)C(C)C ZINC001228698559 817979601 /nfs/dbraw/zinc/97/96/01/817979601.db2.gz QMWISTSVUXVXGA-ZDUSSCGKSA-N -1 3 274.368 3.316 20 0 CGADHM CC(C)C[C@H](Oc1nc(-c2cccnc2)n[n-]1)C(C)C ZINC001228698559 817979608 /nfs/dbraw/zinc/97/96/08/817979608.db2.gz QMWISTSVUXVXGA-ZDUSSCGKSA-N -1 3 274.368 3.316 20 0 CGADHM CC(C)C[C@H](Oc1n[n-]c(-c2cccnc2)n1)C(C)C ZINC001228698559 817979615 /nfs/dbraw/zinc/97/96/15/817979615.db2.gz QMWISTSVUXVXGA-ZDUSSCGKSA-N -1 3 274.368 3.316 20 0 CGADHM C[C@@H]1CCC[C@@H](Oc2nnc(-c3cccnc3)[n-]2)[C@H]1C ZINC001228699576 817980185 /nfs/dbraw/zinc/98/01/85/817980185.db2.gz ZVRCTSYADSOGFV-NTZNESFSSA-N -1 3 272.352 3.070 20 0 CGADHM C[C@@H]1CCC[C@@H](Oc2nc(-c3cccnc3)n[n-]2)[C@H]1C ZINC001228699576 817980192 /nfs/dbraw/zinc/98/01/92/817980192.db2.gz ZVRCTSYADSOGFV-NTZNESFSSA-N -1 3 272.352 3.070 20 0 CGADHM C[C@@H]1CCC[C@@H](Oc2n[n-]c(-c3cccnc3)n2)[C@H]1C ZINC001228699576 817980199 /nfs/dbraw/zinc/98/01/99/817980199.db2.gz ZVRCTSYADSOGFV-NTZNESFSSA-N -1 3 272.352 3.070 20 0 CGADHM COc1ccc([C@H](C)Oc2nnc(-c3cccnc3)[n-]2)cc1 ZINC001228698800 817980477 /nfs/dbraw/zinc/98/04/77/817980477.db2.gz SYFYGLVTJACYDM-NSHDSACASA-N -1 3 296.330 3.015 20 0 CGADHM COc1ccc([C@H](C)Oc2nc(-c3cccnc3)n[n-]2)cc1 ZINC001228698800 817980499 /nfs/dbraw/zinc/98/04/99/817980499.db2.gz SYFYGLVTJACYDM-NSHDSACASA-N -1 3 296.330 3.015 20 0 CGADHM COc1ccc([C@H](C)Oc2n[n-]c(-c3cccnc3)n2)cc1 ZINC001228698800 817980505 /nfs/dbraw/zinc/98/05/05/817980505.db2.gz SYFYGLVTJACYDM-NSHDSACASA-N -1 3 296.330 3.015 20 0 CGADHM CC1CCC(Oc2cc3c(cc2[O-])CCC3=O)CC1 ZINC001228854284 818023023 /nfs/dbraw/zinc/02/30/23/818023023.db2.gz QJVXDIQYNDLKRD-UHFFFAOYSA-N -1 3 260.333 3.479 20 0 CGADHM C[C@@H](COc1ccccc1)Oc1cc2c(cc1[O-])CCC2=O ZINC001228853094 818023113 /nfs/dbraw/zinc/02/31/13/818023113.db2.gz GPUMTOTUGLKWBJ-LBPRGKRZSA-N -1 3 298.338 3.367 20 0 CGADHM Cc1ccc([C@H](C)Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC001231117459 818034044 /nfs/dbraw/zinc/03/40/44/818034044.db2.gz BICVYPASCBTEEY-LBPRGKRZSA-N -1 3 280.331 3.315 20 0 CGADHM Cc1ccc([C@H](C)Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC001231117459 818034049 /nfs/dbraw/zinc/03/40/49/818034049.db2.gz BICVYPASCBTEEY-LBPRGKRZSA-N -1 3 280.331 3.315 20 0 CGADHM O=C1CC(Oc2ccccc2Oc2ccccc2[O-])C1 ZINC001231223750 818061004 /nfs/dbraw/zinc/06/10/04/818061004.db2.gz SVKYAFJBJZZJIT-UHFFFAOYSA-N -1 3 270.284 3.295 20 0 CGADHM [O-]c1cc(CN2CC[C@@]3(CC3(F)F)C2)ccc1Cl ZINC001231733668 818161676 /nfs/dbraw/zinc/16/16/76/818161676.db2.gz CDDKKOPQLFRABP-GFCCVEGCSA-N -1 3 273.710 3.277 20 0 CGADHM [O-]c1c(F)ccc(CN2CC[C@@H](c3ccncc3)C2)c1F ZINC001232934648 818475633 /nfs/dbraw/zinc/47/56/33/818475633.db2.gz CPKYJNINYDOQAI-GFCCVEGCSA-N -1 3 290.313 3.055 20 0 CGADHM C[C@@H]1C[C@@H](C)CN(Cc2cc([O-])c(F)c(F)c2)C1 ZINC001232973269 818488444 /nfs/dbraw/zinc/48/84/44/818488444.db2.gz RIGJRVYVNIGBSL-NXEZZACHSA-N -1 3 255.308 3.148 20 0 CGADHM COc1ccc2c(c1)CN(Cc1cccc([O-])c1F)CC2 ZINC001233050615 818510301 /nfs/dbraw/zinc/51/03/01/818510301.db2.gz RTQZWMKIKCKKDR-UHFFFAOYSA-N -1 3 287.334 3.098 20 0 CGADHM [O-]c1cccc(CN2CC[C@@](CF)(C(F)(F)F)C2)c1F ZINC001233050599 818510377 /nfs/dbraw/zinc/51/03/77/818510377.db2.gz QTOUGNUVXDKGLB-LBPRGKRZSA-N -1 3 295.251 3.255 20 0 CGADHM [O-]c1ccc(F)c(CN2CCC[C@@H]2c2nccs2)c1F ZINC001233396155 818610120 /nfs/dbraw/zinc/61/01/20/818610120.db2.gz MRHKFJQKNJFTBT-LLVKDONJSA-N -1 3 296.342 3.464 20 0 CGADHM CCCO[C@H]1CCN(Cc2ccc(OC)c([O-])c2Cl)C1 ZINC001233399565 818610488 /nfs/dbraw/zinc/61/04/88/818610488.db2.gz BGMBTNCRJYFMDR-LBPRGKRZSA-N -1 3 299.798 3.055 20 0 CGADHM COC(=O)[C@H]1CC[C@@H](Oc2cc(Cl)c([O-])cc2C)CC1 ZINC001233593798 818653344 /nfs/dbraw/zinc/65/33/44/818653344.db2.gz DECUZCHPBRUZES-PHIMTYICSA-N -1 3 298.766 3.465 20 0 CGADHM [O-]c1coc2ccc(O[C@@H]3CCc4cc(F)ccc43)cc12 ZINC001233680802 818678637 /nfs/dbraw/zinc/67/86/37/818678637.db2.gz NXSCRLJQRLOXNU-QGZVFWFLSA-N -1 3 284.286 3.467 20 0 CGADHM [O-]c1coc2ccc(O[C@@H]3CCc4ccccc4C3)cc12 ZINC001233681267 818679138 /nfs/dbraw/zinc/67/91/38/818679138.db2.gz SOIJAKKDBIZHLI-CQSZACIVSA-N -1 3 280.323 3.198 20 0 CGADHM COC(=O)C[C@@H]1CCC[C@@H](Oc2cccc([O-])c2F)C1 ZINC001233873386 818722643 /nfs/dbraw/zinc/72/26/43/818722643.db2.gz XYPQPAVGKVXZDO-GHMZBOCLSA-N -1 3 282.311 3.032 20 0 CGADHM Cc1ccc([C@@H](C)Oc2cccc([O-])c2C(N)=O)c(C)c1 ZINC001234148242 818792009 /nfs/dbraw/zinc/79/20/09/818792009.db2.gz FZIGXRFMWUEJEU-GFCCVEGCSA-N -1 3 285.343 3.248 20 0 CGADHM CCC[C@@H](Oc1cccc([O-])c1C(N)=O)[C@@H](C)CC ZINC001234150513 818792342 /nfs/dbraw/zinc/79/23/42/818792342.db2.gz VNPNPRUADKYLAO-CMPLNLGQSA-N -1 3 265.353 3.085 20 0 CGADHM CC[C@H](Oc1cccc([O-])c1C(N)=O)C1CCCCC1 ZINC001234154106 818793738 /nfs/dbraw/zinc/79/37/38/818793738.db2.gz SDKNLBBBLJUUJM-ZDUSSCGKSA-N -1 3 277.364 3.229 20 0 CGADHM CC(C)N1CCC[C@@H](Oc2c(Cl)ccc([O-])c2F)C1 ZINC001234263271 818820116 /nfs/dbraw/zinc/82/01/16/818820116.db2.gz VYCXMXRMXIBKIL-SNVBAGLBSA-N -1 3 287.762 3.436 20 0 CGADHM C[C@@H](Oc1c(Cl)ccc([O-])c1F)C1CCOCC1 ZINC001234263939 818821116 /nfs/dbraw/zinc/82/11/16/818821116.db2.gz KXCOSRGOSOUQPY-MRVPVSSYSA-N -1 3 274.719 3.379 20 0 CGADHM CCOCC(COCC)Oc1c(Cl)ccc([O-])c1F ZINC001234265593 818821149 /nfs/dbraw/zinc/82/11/49/818821149.db2.gz XMZIKWQJDRHAPU-UHFFFAOYSA-N -1 3 292.734 3.005 20 0 CGADHM CC1(C)[C@@H]2C[C@@H](Oc3nc4c(cccc4[O-])[nH]3)C[C@@H]21 ZINC001234447458 818857509 /nfs/dbraw/zinc/85/75/09/818857509.db2.gz MWHZGMGYSXGVIN-OWUUHHOZSA-N -1 3 258.321 3.082 20 0 CGADHM CC(C)Oc1ccc(COc2nc3c(cccc3[O-])[nH]2)cn1 ZINC001234447825 818858195 /nfs/dbraw/zinc/85/81/95/818858195.db2.gz PPBYFHXXKWWQKE-UHFFFAOYSA-N -1 3 299.330 3.030 20 0 CGADHM O=c1[n-]cnc(O[C@@H]2C[C@H]3C=C[C@@H]2C3)c1-c1ccccc1 ZINC001234692011 818916673 /nfs/dbraw/zinc/91/66/73/818916673.db2.gz LQZLWLRNTOPTEK-IACUBPJLSA-N -1 3 280.327 3.193 20 0 CGADHM CCCOC[C@@H](C)Oc1nc[n-]c(=O)c1-c1ccccc1 ZINC001234691975 818917378 /nfs/dbraw/zinc/91/73/78/818917378.db2.gz LLLDCBWSOWJLCU-GFCCVEGCSA-N -1 3 288.347 3.043 20 0 CGADHM COc1cc([O-])c(C)c(O[C@@H](C)C2CCC2)c1C(C)=O ZINC001234792104 818924854 /nfs/dbraw/zinc/92/48/54/818924854.db2.gz WKUCZULBBCDOCA-NSHDSACASA-N -1 3 278.348 3.479 20 0 CGADHM CC/C=C\CCOC(=O)[C@@H](C)Oc1nc2ccsc2[n-]1 ZINC001234846522 818931381 /nfs/dbraw/zinc/93/13/81/818931381.db2.gz COIXDVIHPWNWRE-UMCURTJPSA-N -1 3 294.376 3.291 20 0 CGADHM CC(=O)Nc1ccnc(-c2cc([O-])cc(Cl)c2)c1 ZINC001235900064 819209130 /nfs/dbraw/zinc/20/91/30/819209130.db2.gz KXGYAXIGSTVWOE-UHFFFAOYSA-N -1 3 262.696 3.066 20 0 CGADHM [O-]c1cc(Cl)cc(-c2ncnc3ncccc32)c1 ZINC001235899006 819209207 /nfs/dbraw/zinc/20/92/07/819209207.db2.gz ABIYVISDEZGXOX-UHFFFAOYSA-N -1 3 257.680 3.051 20 0 CGADHM CCc1ncnc(-c2cc([O-])cc(Cl)c2)c1F ZINC001235899805 819209311 /nfs/dbraw/zinc/20/93/11/819209311.db2.gz KQNMUVWERBKIEO-UHFFFAOYSA-N -1 3 252.676 3.204 20 0 CGADHM CC(C)OC(=O)c1ccc(-c2cc([O-])cc(Cl)c2)nn1 ZINC001235900118 819211237 /nfs/dbraw/zinc/21/12/37/819211237.db2.gz LHEWADRXECEYPI-UHFFFAOYSA-N -1 3 292.722 3.068 20 0 CGADHM [O-]c1cc(Cl)cc(-c2cc3cncnc3cn2)c1 ZINC001235901497 819211918 /nfs/dbraw/zinc/21/19/18/819211918.db2.gz VMAWMRBXMXWVKJ-UHFFFAOYSA-N -1 3 257.680 3.051 20 0 CGADHM CC1(c2cccc(-c3cc([O-])cc(Cl)c3)n2)OCCO1 ZINC001235904522 819214727 /nfs/dbraw/zinc/21/47/27/819214727.db2.gz VFRGAFYNQFSAJQ-UHFFFAOYSA-N -1 3 291.734 3.327 20 0 CGADHM Cc1nc2ncc(-c3c(F)cc(F)c([O-])c3F)c(C)c2[nH]1 ZINC001236000454 819267085 /nfs/dbraw/zinc/26/70/85/819267085.db2.gz ISXJBXVOUGKTEO-UHFFFAOYSA-N -1 3 293.248 3.365 20 0 CGADHM Fc1ccc(-c2ccc(Cl)cc2)cc1-c1nnn[n-]1 ZINC001236096026 819315507 /nfs/dbraw/zinc/31/55/07/819315507.db2.gz VHXFFXHUBDXWKL-UHFFFAOYSA-N -1 3 274.686 3.326 20 0 CGADHM Fc1ccc(-c2ccc(Cl)cc2)cc1-c1nn[n-]n1 ZINC001236096026 819315511 /nfs/dbraw/zinc/31/55/11/819315511.db2.gz VHXFFXHUBDXWKL-UHFFFAOYSA-N -1 3 274.686 3.326 20 0 CGADHM COC(=O)c1ccc(-c2c(F)ccc(C)c2[O-])c(F)c1 ZINC001236402309 819451986 /nfs/dbraw/zinc/45/19/86/819451986.db2.gz KRYRMPMFHLGGFI-UHFFFAOYSA-N -1 3 278.254 3.432 20 0 CGADHM Cc1ccc(F)c(-c2ccnn(-c3ccccc3)c2=O)c1[O-] ZINC001236414370 819459892 /nfs/dbraw/zinc/45/98/92/819459892.db2.gz JPKAKEHFGHIZOO-UHFFFAOYSA-N -1 3 296.301 3.053 20 0 CGADHM [O-]c1cc(CN2CCC[C@@H]2CF)ccc1Br ZINC001236700089 819575419 /nfs/dbraw/zinc/57/54/19/819575419.db2.gz BXJMHUSGLFWTEX-SNVBAGLBSA-N -1 3 288.160 3.089 20 0 CGADHM COc1cccc2c1CN(Cc1ccc(F)c([O-])c1)C2 ZINC001236710523 819578652 /nfs/dbraw/zinc/57/86/52/819578652.db2.gz NIQJJUQVBWZCNF-UHFFFAOYSA-N -1 3 273.307 3.056 20 0 CGADHM O=c1[n-]c(Cl)c(CN2CCC[C@H]2c2ccncc2)s1 ZINC001237150508 819680191 /nfs/dbraw/zinc/68/01/91/819680191.db2.gz GTLUTEGNRBVYJR-JTQLQIEISA-N -1 3 295.795 3.234 20 0 CGADHM COc1ccc(CN(C)Cc2sc(=O)[n-]c2Cl)cc1 ZINC001237159512 819684931 /nfs/dbraw/zinc/68/49/31/819684931.db2.gz YROUHCDEBXLREK-UHFFFAOYSA-N -1 3 298.795 3.143 20 0 CGADHM [S-]c1ccoc1CN1CCO[C@@H](c2ccccc2)C1 ZINC001237180704 819687675 /nfs/dbraw/zinc/68/76/75/819687675.db2.gz AYNWUFYVQKAVKG-CYBMUJFWSA-N -1 3 275.373 3.142 20 0 CGADHM CN(Cc1occc1[S-])Cc1cccc(F)c1F ZINC001237180861 819690398 /nfs/dbraw/zinc/69/03/98/819690398.db2.gz BRUCSAKBMBUFQC-UHFFFAOYSA-N -1 3 269.316 3.479 20 0 CGADHM [O-]c1cc(F)cc(CN2CCc3cc(F)c(F)cc3C2)c1 ZINC001237286920 819717679 /nfs/dbraw/zinc/71/76/79/819717679.db2.gz LWMQIUHYQAOWBP-UHFFFAOYSA-N -1 3 293.288 3.368 20 0 CGADHM CCOc1cc(-c2cccc([O-])c2F)nc(SC)n1 ZINC001243543774 823436265 /nfs/dbraw/zinc/43/62/65/823436265.db2.gz XZGUFWYVGCOUPT-UHFFFAOYSA-N -1 3 280.324 3.109 20 0 CGADHM CN(Cc1cc(F)c([O-])c(Cl)c1)C[C@H]1CCCCO1 ZINC001237990872 819905655 /nfs/dbraw/zinc/90/56/55/819905655.db2.gz ZYTVAHGRONWRFP-LLVKDONJSA-N -1 3 287.762 3.186 20 0 CGADHM CO[C@@H]1CCCN(Cc2cc(F)c([O-])c(Cl)c2)CC1 ZINC001237998336 819907105 /nfs/dbraw/zinc/90/71/05/819907105.db2.gz UIHCCMQEFBZFNJ-LLVKDONJSA-N -1 3 287.762 3.186 20 0 CGADHM COc1cc(F)c(-c2cccc([O-])c2F)cc1F ZINC001243545065 823437665 /nfs/dbraw/zinc/43/76/65/823437665.db2.gz PLTNKPIZYURLCS-UHFFFAOYSA-N -1 3 254.207 3.485 20 0 CGADHM C[C@H]1C(=O)Nc2cc(-c3cccc([O-])c3F)ccc21 ZINC001243545189 823438040 /nfs/dbraw/zinc/43/80/40/823438040.db2.gz XCXLVOHOZJEVIA-MRVPVSSYSA-N -1 3 257.264 3.254 20 0 CGADHM COC(=O)c1cc(F)cc(-c2cccc([O-])c2F)c1 ZINC001243546871 823439033 /nfs/dbraw/zinc/43/90/33/823439033.db2.gz JYSZMYDCGXPXRE-UHFFFAOYSA-N -1 3 264.227 3.124 20 0 CGADHM COC(=O)CCc1ccc(-c2cccc([O-])c2F)cc1 ZINC001243546107 823439087 /nfs/dbraw/zinc/43/90/87/823439087.db2.gz JACZCDSAFIWBGP-UHFFFAOYSA-N -1 3 274.291 3.304 20 0 CGADHM Cc1ccc(-c2ccc(C3CC3)nc2)cc1-c1nnn[n-]1 ZINC001238855387 820136122 /nfs/dbraw/zinc/13/61/22/820136122.db2.gz WNZWZJQBVSQQHO-UHFFFAOYSA-N -1 3 277.331 3.115 20 0 CGADHM Cc1ccc(-c2ccc(C3CC3)nc2)cc1-c1nn[n-]n1 ZINC001238855387 820136126 /nfs/dbraw/zinc/13/61/26/820136126.db2.gz WNZWZJQBVSQQHO-UHFFFAOYSA-N -1 3 277.331 3.115 20 0 CGADHM CCCCOc1ncc(-c2ccc(=S)[n-]n2)cc1C ZINC001238960335 820170333 /nfs/dbraw/zinc/17/03/33/820170333.db2.gz CLYUEOUUEFYYOF-UHFFFAOYSA-N -1 3 275.377 3.315 20 0 CGADHM Nc1ccnc2cc(-c3ccc(C(=O)[O-])cc3F)ccc12 ZINC001239261094 820243708 /nfs/dbraw/zinc/24/37/08/820243708.db2.gz HMPYWFKYHZJRSU-UHFFFAOYSA-N -1 3 282.274 3.321 20 0 CGADHM [O-]c1cc(C(F)(F)F)ccc1-c1cnc(F)nc1 ZINC001243605199 823464554 /nfs/dbraw/zinc/46/45/54/823464554.db2.gz FMTOFKLMRUMZTD-UHFFFAOYSA-N -1 3 258.174 3.007 20 0 CGADHM Cc1cc(-c2nnn[n-]2)ccc1-c1ccc2[nH]ccc2c1 ZINC001239697405 820528146 /nfs/dbraw/zinc/52/81/46/820528146.db2.gz XJFWUGRVAKJSIW-UHFFFAOYSA-N -1 3 275.315 3.323 20 0 CGADHM Cc1cc(-c2nn[n-]n2)ccc1-c1ccc2[nH]ccc2c1 ZINC001239697405 820528149 /nfs/dbraw/zinc/52/81/49/820528149.db2.gz XJFWUGRVAKJSIW-UHFFFAOYSA-N -1 3 275.315 3.323 20 0 CGADHM COc1ccc(-c2ccc(C)c(-c3nnn[n-]3)c2)c(C)c1 ZINC001239830056 820644567 /nfs/dbraw/zinc/64/45/67/820644567.db2.gz XHPJSMSLTHFIBU-UHFFFAOYSA-N -1 3 280.331 3.159 20 0 CGADHM COc1ccc(-c2ccc(C)c(-c3nn[n-]n3)c2)c(C)c1 ZINC001239830056 820644575 /nfs/dbraw/zinc/64/45/75/820644575.db2.gz XHPJSMSLTHFIBU-UHFFFAOYSA-N -1 3 280.331 3.159 20 0 CGADHM CC(C)c1ccccc1-c1cncc(-c2nnn[n-]2)c1 ZINC001239865553 820670607 /nfs/dbraw/zinc/67/06/07/820670607.db2.gz AJTQPRCXPQYUFA-UHFFFAOYSA-N -1 3 265.320 3.052 20 0 CGADHM CC(C)c1ccccc1-c1cncc(-c2nn[n-]n2)c1 ZINC001239865553 820670613 /nfs/dbraw/zinc/67/06/13/820670613.db2.gz AJTQPRCXPQYUFA-UHFFFAOYSA-N -1 3 265.320 3.052 20 0 CGADHM Cn1ccc2cc(-c3cccc(-c4nnn[n-]4)c3)ccc21 ZINC001239942272 820724564 /nfs/dbraw/zinc/72/45/64/820724564.db2.gz JNSGWMXFVUUCIC-UHFFFAOYSA-N -1 3 275.315 3.025 20 0 CGADHM Cn1ccc2cc(-c3cccc(-c4nn[n-]n4)c3)ccc21 ZINC001239942272 820724572 /nfs/dbraw/zinc/72/45/72/820724572.db2.gz JNSGWMXFVUUCIC-UHFFFAOYSA-N -1 3 275.315 3.025 20 0 CGADHM c1ccc2c(c1)cncc2-c1ccc(Cc2nnn[n-]2)cc1 ZINC001239948883 820729649 /nfs/dbraw/zinc/72/96/49/820729649.db2.gz JHNLKDOGMCYKBY-UHFFFAOYSA-N -1 3 287.326 3.006 20 0 CGADHM c1ccc2c(c1)cncc2-c1ccc(Cc2nn[n-]n2)cc1 ZINC001239948883 820729653 /nfs/dbraw/zinc/72/96/53/820729653.db2.gz JHNLKDOGMCYKBY-UHFFFAOYSA-N -1 3 287.326 3.006 20 0 CGADHM Cc1ccc(F)c(-c2ccc(-c3nnn[n-]3)cc2C)c1 ZINC001239966790 820745714 /nfs/dbraw/zinc/74/57/14/820745714.db2.gz VOOLWGMMZYCVEX-UHFFFAOYSA-N -1 3 268.295 3.290 20 0 CGADHM Cc1ccc(F)c(-c2ccc(-c3nn[n-]n3)cc2C)c1 ZINC001239966790 820745721 /nfs/dbraw/zinc/74/57/21/820745721.db2.gz VOOLWGMMZYCVEX-UHFFFAOYSA-N -1 3 268.295 3.290 20 0 CGADHM FC(F)c1cccc(-c2ccc(Cc3nnn[n-]3)cc2)c1 ZINC001240692533 821247531 /nfs/dbraw/zinc/24/75/31/821247531.db2.gz CUQZKNRQUZYYNI-UHFFFAOYSA-N -1 3 286.285 3.395 20 0 CGADHM FC(F)c1cccc(-c2ccc(Cc3nn[n-]n3)cc2)c1 ZINC001240692533 821247539 /nfs/dbraw/zinc/24/75/39/821247539.db2.gz CUQZKNRQUZYYNI-UHFFFAOYSA-N -1 3 286.285 3.395 20 0 CGADHM COc1c(F)c(F)ccc1-c1ccc([O-])c(F)c1 ZINC001240789718 821332079 /nfs/dbraw/zinc/33/20/79/821332079.db2.gz BIWKFXFOVMYHED-UHFFFAOYSA-N -1 3 254.207 3.485 20 0 CGADHM O=C([O-])Cc1ccc(-c2cc(N3CCCCC3)ccn2)cc1 ZINC001240972676 821457567 /nfs/dbraw/zinc/45/75/67/821457567.db2.gz KAHZCJASXWCGPZ-UHFFFAOYSA-N -1 3 296.370 3.366 20 0 CGADHM CCOC(=O)c1nc2ccccc2c(-c2ccccc2[O-])n1 ZINC001241001869 821480734 /nfs/dbraw/zinc/48/07/34/821480734.db2.gz LJEYYSDHXRNEJU-UHFFFAOYSA-N -1 3 294.310 3.179 20 0 CGADHM [O-]c1ccccc1-c1cc(OCc2ccccc2)cnn1 ZINC001241003964 821483448 /nfs/dbraw/zinc/48/34/48/821483448.db2.gz ZRVDIJZZUPLODP-UHFFFAOYSA-N -1 3 278.311 3.428 20 0 CGADHM CCOC(OCC)c1cc(-c2ccccc2[O-])nc(C)n1 ZINC001241008947 821485522 /nfs/dbraw/zinc/48/55/22/821485522.db2.gz XFDDZIKLIADGBJ-UHFFFAOYSA-N -1 3 288.347 3.229 20 0 CGADHM COC(=O)c1cccc2nc(-c3ccccc3[O-])ccc21 ZINC001241008840 821485836 /nfs/dbraw/zinc/48/58/36/821485836.db2.gz LESUMSPPELUDKP-UHFFFAOYSA-N -1 3 279.295 3.394 20 0 CGADHM Cc1ccc(-c2cnc3cc(F)ccc3n2)c([O-])c1 ZINC001241027499 821502068 /nfs/dbraw/zinc/50/20/68/821502068.db2.gz BCKSIXWNRKMIJY-UHFFFAOYSA-N -1 3 254.264 3.450 20 0 CGADHM CSc1nc2ncnc(-c3ccc(C)cc3[O-])c2s1 ZINC001241035901 821511657 /nfs/dbraw/zinc/51/16/57/821511657.db2.gz ISEAJJUVOZWUJX-UHFFFAOYSA-N -1 3 289.385 3.489 20 0 CGADHM CCOc1ccc(-c2ccc(-c3nnn[n-]3)cc2C)cc1F ZINC001241089164 821551595 /nfs/dbraw/zinc/55/15/95/821551595.db2.gz IXSISURYWLJFGK-UHFFFAOYSA-N -1 3 298.321 3.380 20 0 CGADHM CCOc1ccc(-c2ccc(-c3nn[n-]n3)cc2C)cc1F ZINC001241089164 821551598 /nfs/dbraw/zinc/55/15/98/821551598.db2.gz IXSISURYWLJFGK-UHFFFAOYSA-N -1 3 298.321 3.380 20 0 CGADHM CC(=O)c1ccccc1-c1ccc(-c2nnn[n-]2)cc1C ZINC001241208679 821641935 /nfs/dbraw/zinc/64/19/35/821641935.db2.gz VBUHCQZTVWOARV-UHFFFAOYSA-N -1 3 278.315 3.045 20 0 CGADHM CC(=O)c1ccccc1-c1ccc(-c2nn[n-]n2)cc1C ZINC001241208679 821641938 /nfs/dbraw/zinc/64/19/38/821641938.db2.gz VBUHCQZTVWOARV-UHFFFAOYSA-N -1 3 278.315 3.045 20 0 CGADHM [O-]c1cc(F)cc(-c2cc(OC(F)F)ccn2)c1 ZINC001241257242 821677186 /nfs/dbraw/zinc/67/71/86/821677186.db2.gz IGYMXAMVLXROKJ-UHFFFAOYSA-N -1 3 255.195 3.195 20 0 CGADHM [O-]c1cc(F)cc(-c2ncnc3cc(F)c(F)cc32)c1 ZINC001241257568 821677244 /nfs/dbraw/zinc/67/72/44/821677244.db2.gz LOFVPNADQBSJQN-UHFFFAOYSA-N -1 3 276.217 3.420 20 0 CGADHM [O-]c1cc(F)cc(-c2ccnc(-c3nccs3)n2)c1 ZINC001241261920 821681670 /nfs/dbraw/zinc/68/16/70/821681670.db2.gz TZMWXNBZEYJUQR-UHFFFAOYSA-N -1 3 273.292 3.112 20 0 CGADHM CCOC(=O)c1c(C)ccnc1-c1cc([O-])cc(F)c1 ZINC001241261909 821681680 /nfs/dbraw/zinc/68/16/80/821681680.db2.gz GJOLEMRJINVSCY-UHFFFAOYSA-N -1 3 275.279 3.078 20 0 CGADHM Cc1nc2c(c(-c3cc([O-])cc(F)c3)n1)CCCC2 ZINC001241262771 821682558 /nfs/dbraw/zinc/68/25/58/821682558.db2.gz TXZYOBKOBSTHBO-UHFFFAOYSA-N -1 3 258.296 3.176 20 0 CGADHM COc1cc2nc[nH]c2cc1-c1cc([O-])cc(F)c1 ZINC001241270798 821688840 /nfs/dbraw/zinc/68/88/40/821688840.db2.gz AFWJRMICMQGUDV-UHFFFAOYSA-N -1 3 258.252 3.083 20 0 CGADHM COC(=O)c1noc2cc(-c3cc([O-])cc(F)c3)ccc21 ZINC001241271285 821690272 /nfs/dbraw/zinc/69/02/72/821690272.db2.gz PKYZSTJRRRPEQU-UHFFFAOYSA-N -1 3 287.246 3.126 20 0 CGADHM Cn1ccc2cc(-c3cc([O-])cc(F)c3)ccc2c1=O ZINC001241272814 821691217 /nfs/dbraw/zinc/69/12/17/821691217.db2.gz ZOHYIWFFLGZQSO-UHFFFAOYSA-N -1 3 269.275 3.050 20 0 CGADHM [O-]c1cc(F)cc(-c2ccc(OC(F)(F)F)nc2)c1 ZINC001241277376 821696763 /nfs/dbraw/zinc/69/67/63/821696763.db2.gz KCLLSSYTXVATDP-UHFFFAOYSA-N -1 3 273.185 3.492 20 0 CGADHM [O-]c1cc(F)cc(-c2cnc(OCC3CCC3)nc2)c1 ZINC001241280868 821700263 /nfs/dbraw/zinc/70/02/63/821700263.db2.gz WGONTHMJQVTILS-UHFFFAOYSA-N -1 3 274.295 3.167 20 0 CGADHM CCOc1ncc(-c2cc([O-])cc(F)c2)cc1OC ZINC001241282049 821701255 /nfs/dbraw/zinc/70/12/55/821701255.db2.gz HAFBEDIYUKRVNR-UHFFFAOYSA-N -1 3 263.268 3.001 20 0 CGADHM COc1ccc(-c2c(F)ccc([O-])c2F)c(F)c1 ZINC001241292666 821709366 /nfs/dbraw/zinc/70/93/66/821709366.db2.gz GWGGYPVTLDOAMC-UHFFFAOYSA-N -1 3 254.207 3.485 20 0 CGADHM COCc1ccccc1-c1c(F)ccc([O-])c1F ZINC001241293593 821711502 /nfs/dbraw/zinc/71/15/02/821711502.db2.gz JRYADXRVTWJDPH-UHFFFAOYSA-N -1 3 250.244 3.484 20 0 CGADHM C[S@@](=N)(=O)c1ccc(-c2c(F)ccc([O-])c2F)cc1 ZINC001241294292 821712200 /nfs/dbraw/zinc/71/22/00/821712200.db2.gz ZJVYNRFYNOEPCL-LJQANCHMSA-N -1 3 283.299 3.373 20 0 CGADHM COc1cccc(-c2c(F)ccc([O-])c2F)c1F ZINC001241294006 821712773 /nfs/dbraw/zinc/71/27/73/821712773.db2.gz TWIFTWRTOSGBGN-UHFFFAOYSA-N -1 3 254.207 3.485 20 0 CGADHM CC(=O)Nc1ccc(F)c(-c2c(F)ccc([O-])c2F)c1 ZINC001241294305 821713083 /nfs/dbraw/zinc/71/30/83/821713083.db2.gz ZZNSMXYZYFVBES-UHFFFAOYSA-N -1 3 281.233 3.435 20 0 CGADHM CCC(=O)Nc1cc(-c2c(F)ccc([O-])c2F)ccn1 ZINC001241295736 821714127 /nfs/dbraw/zinc/71/41/27/821714127.db2.gz ZCWQTYBMJVDEBL-UHFFFAOYSA-N -1 3 278.258 3.081 20 0 CGADHM Cn1c(=O)cc(-c2c(F)ccc([O-])c2F)c2ccccc21 ZINC001241295278 821714161 /nfs/dbraw/zinc/71/41/61/821714161.db2.gz MEFCYWOEIRBIPJ-UHFFFAOYSA-N -1 3 287.265 3.189 20 0 CGADHM Fc1ccc(-c2cc(Cl)ccc2F)cc1-c1nnn[n-]1 ZINC001241332229 821739504 /nfs/dbraw/zinc/73/95/04/821739504.db2.gz ONEOWNDMUMZDQX-UHFFFAOYSA-N -1 3 292.676 3.465 20 0 CGADHM Fc1ccc(-c2cc(Cl)ccc2F)cc1-c1nn[n-]n1 ZINC001241332229 821739507 /nfs/dbraw/zinc/73/95/07/821739507.db2.gz ONEOWNDMUMZDQX-UHFFFAOYSA-N -1 3 292.676 3.465 20 0 CGADHM Cc1cc(-c2nnn[n-]2)ccc1-c1ccc2ncccc2c1 ZINC001241400557 821798249 /nfs/dbraw/zinc/79/82/49/821798249.db2.gz CTLUEXLDXPRQQY-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM Cc1cc(-c2nn[n-]n2)ccc1-c1ccc2ncccc2c1 ZINC001241400557 821798252 /nfs/dbraw/zinc/79/82/52/821798252.db2.gz CTLUEXLDXPRQQY-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM CSc1ccc(-c2ccc(-c3nnn[n-]3)cc2)c(F)c1 ZINC001241444343 821837617 /nfs/dbraw/zinc/83/76/17/821837617.db2.gz AADOLBCGMJTKDT-UHFFFAOYSA-N -1 3 286.335 3.395 20 0 CGADHM CSc1ccc(-c2ccc(-c3nn[n-]n3)cc2)c(F)c1 ZINC001241444343 821837625 /nfs/dbraw/zinc/83/76/25/821837625.db2.gz AADOLBCGMJTKDT-UHFFFAOYSA-N -1 3 286.335 3.395 20 0 CGADHM CC(C)Oc1ccccc1-c1ccc(-c2nnn[n-]2)cc1 ZINC001241444402 821839208 /nfs/dbraw/zinc/83/92/08/821839208.db2.gz ATIGVJPONNZYAS-UHFFFAOYSA-N -1 3 280.331 3.321 20 0 CGADHM CC(C)Oc1ccccc1-c1ccc(-c2nn[n-]n2)cc1 ZINC001241444402 821839215 /nfs/dbraw/zinc/83/92/15/821839215.db2.gz ATIGVJPONNZYAS-UHFFFAOYSA-N -1 3 280.331 3.321 20 0 CGADHM Fc1cccc2c(-c3ccc(-c4nnn[n-]4)cc3)ccnc12 ZINC001241445698 821840120 /nfs/dbraw/zinc/84/01/20/821840120.db2.gz UPZUAGOLRRLERX-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Fc1cccc2c(-c3ccc(-c4nn[n-]n4)cc3)ccnc12 ZINC001241445698 821840128 /nfs/dbraw/zinc/84/01/28/821840128.db2.gz UPZUAGOLRRLERX-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Cc1ccc(-c2ccc(-c3nnn[n-]3)cc2)c2[nH]ccc21 ZINC001241445991 821841936 /nfs/dbraw/zinc/84/19/36/821841936.db2.gz ZJVSJPFVEUOUEH-UHFFFAOYSA-N -1 3 275.315 3.323 20 0 CGADHM Cc1ccc(-c2ccc(-c3nn[n-]n3)cc2)c2[nH]ccc21 ZINC001241445991 821841945 /nfs/dbraw/zinc/84/19/45/821841945.db2.gz ZJVSJPFVEUOUEH-UHFFFAOYSA-N -1 3 275.315 3.323 20 0 CGADHM Cc1cscc1-c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001241730293 822108873 /nfs/dbraw/zinc/10/88/73/822108873.db2.gz BGBUHLLZSVVAAL-UHFFFAOYSA-N -1 3 260.297 3.043 20 0 CGADHM Cc1cscc1-c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001241730293 822108875 /nfs/dbraw/zinc/10/88/75/822108875.db2.gz BGBUHLLZSVVAAL-UHFFFAOYSA-N -1 3 260.297 3.043 20 0 CGADHM Cn1ccc2c1cccc2-c1cccc(-c2nnn[n-]2)c1 ZINC001241824708 822165148 /nfs/dbraw/zinc/16/51/48/822165148.db2.gz VVLVLUSGNCFCDJ-UHFFFAOYSA-N -1 3 275.315 3.025 20 0 CGADHM Cn1ccc2c1cccc2-c1cccc(-c2nn[n-]n2)c1 ZINC001241824708 822165151 /nfs/dbraw/zinc/16/51/51/822165151.db2.gz VVLVLUSGNCFCDJ-UHFFFAOYSA-N -1 3 275.315 3.025 20 0 CGADHM [O-]c1ccc(-c2ccn3cnnc3c2)cc1C(F)(F)F ZINC001242157208 822899382 /nfs/dbraw/zinc/89/93/82/822899382.db2.gz FEUMHUIJCJFCKE-UHFFFAOYSA-N -1 3 279.221 3.121 20 0 CGADHM [O-]c1ccc(-c2ccc3c(n2)NCCO3)cc1C(F)(F)F ZINC001242165642 822900843 /nfs/dbraw/zinc/90/08/43/822900843.db2.gz HCZHCHJBGMVAAO-UHFFFAOYSA-N -1 3 296.248 3.277 20 0 CGADHM [O-]c1ccc(-c2cnc3c(c2)CCCN3)cc1C(F)(F)F ZINC001242168615 822901089 /nfs/dbraw/zinc/90/10/89/822901089.db2.gz RGSPLGHGCXRABI-UHFFFAOYSA-N -1 3 294.276 3.474 20 0 CGADHM Nc1ccc2cc(-c3ccc(F)cc3[O-])ccc2n1 ZINC001242219653 822916112 /nfs/dbraw/zinc/91/61/12/822916112.db2.gz ZETUPTQIQCKSQK-UHFFFAOYSA-N -1 3 254.264 3.329 20 0 CGADHM CC1(c2ccc(-c3cccc(F)c3[O-])cc2)COC1 ZINC001242350462 822961155 /nfs/dbraw/zinc/96/11/55/822961155.db2.gz GNGITZFPJJCGBR-UHFFFAOYSA-N -1 3 258.292 3.486 20 0 CGADHM C[C@@H]1C(=O)Nc2ccc(-c3cccc(F)c3[O-])cc21 ZINC001242351384 822961173 /nfs/dbraw/zinc/96/11/73/822961173.db2.gz UGXLZKKYFIOLKA-QMMMGPOBSA-N -1 3 257.264 3.254 20 0 CGADHM COc1cc(-c2cccc(F)c2[O-])cc(F)c1F ZINC001242351771 822961761 /nfs/dbraw/zinc/96/17/61/822961761.db2.gz SCMIFOZQYMBPRV-UHFFFAOYSA-N -1 3 254.207 3.485 20 0 CGADHM [O-]c1c(F)cccc1-c1ccc(N2CCOCC2)c(F)c1 ZINC001242352140 822962031 /nfs/dbraw/zinc/96/20/31/822962031.db2.gz NYSOYHKYVNIYEW-UHFFFAOYSA-N -1 3 291.297 3.174 20 0 CGADHM CC1(C)CNC(=O)c2cccc(-c3cccc(F)c3[O-])c21 ZINC001242352223 822962062 /nfs/dbraw/zinc/96/20/62/822962062.db2.gz BPEBCIIEICVFIR-UHFFFAOYSA-N -1 3 285.318 3.219 20 0 CGADHM S=C1Cc2ccc(-c3cccc4c3OCCO4)cc2[N-]1 ZINC001242470340 823003751 /nfs/dbraw/zinc/00/37/51/823003751.db2.gz MYWPCBYZXFYWJH-UHFFFAOYSA-N -1 3 283.352 3.420 20 0 CGADHM CC(C)(C)c1nc(CNCC(C)(C)CC(=O)[O-])cs1 ZINC001339011425 936343654 /nfs/dbraw/zinc/34/36/54/936343654.db2.gz PIUGHRXEBUESQW-UHFFFAOYSA-N -1 3 284.425 3.031 20 0 CGADHM CC(C)(C)c1coc(CN[C@H](CC(=O)[O-])C2CCCC2)n1 ZINC001353955253 937084220 /nfs/dbraw/zinc/08/42/20/937084220.db2.gz PPDKMMXTWJIZLN-GFCCVEGCSA-N -1 3 294.395 3.095 20 0 CGADHM Cc1cccc([O-])c1C(=O)N[C@H]1C[C@H]1Cc1ccccc1 ZINC001444290138 937351353 /nfs/dbraw/zinc/35/13/53/937351353.db2.gz ZLZHKNOJCGKZAV-CABCVRRESA-N -1 3 281.355 3.062 20 0 CGADHM CC[C@H](C)[C@@H](NC(=O)c1ccc(C)cc1[O-])C(F)(F)F ZINC001448551617 937375302 /nfs/dbraw/zinc/37/53/02/937375302.db2.gz KSOXIFYIYKSNSK-JOYOIKCWSA-N -1 3 289.297 3.407 20 0 CGADHM CSc1ccc([O-])c(C(=O)NC[C@@H]2CC[C@H](C)C2)c1 ZINC001448893535 937377070 /nfs/dbraw/zinc/37/70/70/937377070.db2.gz XIVBFZDSJNQTSG-WDEREUQCSA-N -1 3 279.405 3.280 20 0 CGADHM C[C@@H]1C[C@H](CC(=O)[N-]OCc2ccccn2)CC(C)(C)C1 ZINC001451090737 937389169 /nfs/dbraw/zinc/38/91/69/937389169.db2.gz KLEOFRUPIPNINK-ZIAGYGMSSA-N -1 3 290.407 3.482 20 0 CGADHM CSc1ccc([O-])c(C(=O)NC[C@]23C[C@H]2CCC3)c1 ZINC001456096316 937425287 /nfs/dbraw/zinc/42/52/87/937425287.db2.gz PGAYBLXZLVFHMH-BMIGLBTASA-N -1 3 277.389 3.034 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2cnc3[nH]ccc3c2C)c1 ZINC001456142280 937426364 /nfs/dbraw/zinc/42/63/64/937426364.db2.gz AZMOUITXWPLGCR-UHFFFAOYSA-N -1 3 295.342 3.343 20 0 CGADHM C[C@H](Oc1[n-]c(=O)nc2cccc(F)c21)c1nccs1 ZINC001231075013 932672133 /nfs/dbraw/zinc/67/21/33/932672133.db2.gz VONZXMBCTSGJGT-ZETCQYMHSA-N -1 3 291.307 3.071 20 0 CGADHM CCC[C@@H](C)[C@H](CC)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001231076404 932672240 /nfs/dbraw/zinc/67/22/40/932672240.db2.gz KZTYMAVPNKBHQO-RISCZKNCSA-N -1 3 274.368 3.460 20 0 CGADHM C[C@@H]1CC[C@@H](Oc2[n-]c(=O)nc3cccc(F)c32)C1 ZINC001231074176 932672636 /nfs/dbraw/zinc/67/26/36/932672636.db2.gz MEDFWEMZRPOOSA-RKDXNWHRSA-N -1 3 262.284 3.042 20 0 CGADHM C[C@@H](Oc1[n-]c(=O)nc2cccc(F)c21)c1cccnc1 ZINC001231073690 932672726 /nfs/dbraw/zinc/67/27/26/932672726.db2.gz IRXUIHPFWJNSDX-SECBINFHSA-N -1 3 285.278 3.010 20 0 CGADHM CC[C@@H](C)CC[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001231076781 932673156 /nfs/dbraw/zinc/67/31/56/932673156.db2.gz MFXSMJMDQLPNPN-VXGBXAGGSA-N -1 3 274.368 3.460 20 0 CGADHM Cc1ccc2c(c1)[C@@H](Oc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC001231074515 932673301 /nfs/dbraw/zinc/67/33/01/932673301.db2.gz PSFJMFYDGMEFPX-INIZCTEOSA-N -1 3 292.342 3.241 20 0 CGADHM CC[C@@H]1c2ccccc2CN1C(=O)c1ccc(O)cc1[O-] ZINC001304739160 932854829 /nfs/dbraw/zinc/85/48/29/932854829.db2.gz ZTUFRVGKXWNMIY-OAHLLOKOSA-N -1 3 283.327 3.205 20 0 CGADHM [O-]c1ccc(CN2CCSC[C@@H]2C2CCC2)c(F)c1F ZINC001462382630 937636958 /nfs/dbraw/zinc/63/69/58/937636958.db2.gz ICUWDIDYLMLVBF-GFCCVEGCSA-N -1 3 299.386 3.388 20 0 CGADHM Cc1sccc1NC(=O)c1c[n-]c2c(C)cccc2c1=O ZINC001306885667 932890991 /nfs/dbraw/zinc/89/09/91/932890991.db2.gz VUKIHZCSJYIOAB-UHFFFAOYSA-N -1 3 298.367 3.459 20 0 CGADHM C=C/C=C/CC(=O)Nc1ccc(Br)cc1[O-] ZINC001464143216 937686868 /nfs/dbraw/zinc/68/68/68/937686868.db2.gz VKONVFYSUCYYFD-ONEGZZNKSA-N -1 3 282.137 3.226 20 0 CGADHM CC(F)(F)C1(C(=O)Nc2ccc(Cl)cc2[O-])CC1 ZINC001328340946 933450830 /nfs/dbraw/zinc/45/08/30/933450830.db2.gz WBGRUWMSFPBNHY-UHFFFAOYSA-N -1 3 275.682 3.420 20 0 CGADHM CC(=O)c1cccc(NC(=O)C=C(C)c2ccco2)c1[O-] ZINC001468601077 937729940 /nfs/dbraw/zinc/72/99/40/937729940.db2.gz JZJPWJUCZNRHQG-KTKRTIGZSA-N -1 3 285.299 3.230 20 0 CGADHM CC[C@H](NC(=O)c1ccc(C)cc1[O-])[C@H]1CC1(C)C ZINC001469143150 937735781 /nfs/dbraw/zinc/73/57/81/937735781.db2.gz VCGDBVXWCPOIFR-OLZOCXBDSA-N -1 3 261.365 3.255 20 0 CGADHM Cc1ccc(C2(NC(=O)c3ccc(O)cc3[O-])CCC2)cc1 ZINC001469799465 937743815 /nfs/dbraw/zinc/74/38/15/937743815.db2.gz KMKGTVNSRWKPLH-UHFFFAOYSA-N -1 3 297.354 3.215 20 0 CGADHM CC(=O)Nc1ccccc1NC(=O)c1ccc(C)c(C)c1[O-] ZINC001470229743 937749661 /nfs/dbraw/zinc/74/96/61/937749661.db2.gz FMJKXUOBUOJXTD-UHFFFAOYSA-N -1 3 298.342 3.220 20 0 CGADHM O=C([N-]OCC1CCC1)C1(C2CCCCC2)CC1 ZINC001470294596 937751059 /nfs/dbraw/zinc/75/10/59/937751059.db2.gz YMOUNDRAEYYMKL-UHFFFAOYSA-N -1 3 251.370 3.195 20 0 CGADHM COC[C@@H](CNC(=O)c1ccc(C(C)C)cc1[O-])C(C)C ZINC001472037679 937772102 /nfs/dbraw/zinc/77/21/02/937772102.db2.gz XXMXVOGFMMDFID-CQSZACIVSA-N -1 3 293.407 3.164 20 0 CGADHM Cc1ccc(C(=O)Nc2cnn(C3CCC3)c2)c([O-])c1C ZINC001472077509 937772367 /nfs/dbraw/zinc/77/23/67/937772367.db2.gz SXBZSGDOUHFICP-UHFFFAOYSA-N -1 3 285.347 3.183 20 0 CGADHM CC1=CC[C@@](C)(C(=O)[N-]OCCOc2ccccc2)CC1 ZINC001472341534 937775348 /nfs/dbraw/zinc/77/53/48/937775348.db2.gz GDQDYZABRNHMAT-QGZVFWFLSA-N -1 3 289.375 3.250 20 0 CGADHM Cc1cc(=O)[n-]c(CS[C@H]2CCc3ccccc3C2)n1 ZINC001473057815 937791324 /nfs/dbraw/zinc/79/13/24/937791324.db2.gz MBYIWGBXAAFUEG-AWEZNQCLSA-N -1 3 286.400 3.281 20 0 CGADHM C[C@@H]1CN([C@H](C(=O)[O-])c2ccccc2Cl)C[C@@H](C)S1 ZINC001328739223 935163818 /nfs/dbraw/zinc/16/38/18/935163818.db2.gz DEZIOIGMXIYFRW-BREBYQMCSA-N -1 3 299.823 3.292 20 0 CGADHM [O-]c1ccc(CN2Cc3ccc(O)cc3C3(CC3)C2)cc1F ZINC001335072108 936127637 /nfs/dbraw/zinc/12/76/37/936127637.db2.gz KKJGZGQECLVKBK-UHFFFAOYSA-N -1 3 299.345 3.284 20 0 CGADHM Cc1cc(=O)[n-]c(N[C@H](C)CCCC(F)(F)F)n1 ZINC001337142039 936239345 /nfs/dbraw/zinc/23/93/45/936239345.db2.gz JIUKTLOLWJMDEU-SSDOTTSWSA-N -1 3 263.263 3.024 20 0 CGADHM Cc1cccc(NCc2cccc([O-])c2Br)n1 ZINC001473944342 937831380 /nfs/dbraw/zinc/83/13/80/937831380.db2.gz HJGKTZROWNXCOG-UHFFFAOYSA-N -1 3 293.164 3.470 20 0 CGADHM CC[C@@H](C)CC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC001475475034 937883636 /nfs/dbraw/zinc/88/36/36/937883636.db2.gz OUHTZVRMEXHILC-SECBINFHSA-N -1 3 293.791 3.194 20 0 CGADHM CC(=O)c1cccc(NC(=O)c2cc3c(o2)CCCC3)c1[O-] ZINC001520173943 938023751 /nfs/dbraw/zinc/02/37/51/938023751.db2.gz ICWJNMAKXMNKKP-UHFFFAOYSA-N -1 3 299.326 3.319 20 0 CGADHM Cc1ccccc1N(C)C(=O)c1c[n-]c2ccccc2c1=O ZINC001533194466 938089409 /nfs/dbraw/zinc/08/94/09/938089409.db2.gz MSWAXRAJYTZSNO-UHFFFAOYSA-N -1 3 292.338 3.113 20 0 CGADHM CC[C@@H]1CCC[C@@]1(C)C(=O)[N-]OCc1ccccc1 ZINC001540601384 938132368 /nfs/dbraw/zinc/13/23/68/938132368.db2.gz WDRNOWSTEFXDJX-GDBMZVCRSA-N -1 3 261.365 3.451 20 0 CGADHM Cc1conc1[N-]C(=O)c1c(C)onc1-c1cccs1 ZINC001544212915 938143918 /nfs/dbraw/zinc/14/39/18/938143918.db2.gz QVIKZODKKZILMN-UHFFFAOYSA-N -1 3 289.316 3.260 20 0 CGADHM COc1cccc([O-])c1C(=O)N[C@H](C)[C@H](C)c1ccccc1 ZINC001545158170 938148770 /nfs/dbraw/zinc/14/87/70/938148770.db2.gz JKUZZHLKCAHGTH-QWHCGFSZSA-N -1 3 299.370 3.323 20 0 CGADHM CSc1ccc([O-])c(C(=O)NC2C(C)(C)C2(C)C)c1 ZINC001545317806 938149314 /nfs/dbraw/zinc/14/93/14/938149314.db2.gz HFVONJRUPJCOSA-UHFFFAOYSA-N -1 3 279.405 3.279 20 0 CGADHM O=C([O-])[C@H]1CN(Cc2ccc(F)cc2Cl)C[C@@H]1C1CC1 ZINC001549116431 938155378 /nfs/dbraw/zinc/15/53/78/938155378.db2.gz LUTRLSXJPBNSDH-OLZOCXBDSA-N -1 3 297.757 3.022 20 0 CGADHM O=C([O-])[C@@H]1CN(Cc2ccc(F)cc2Cl)C[C@@H]1C1CC1 ZINC001549116428 938155420 /nfs/dbraw/zinc/15/54/20/938155420.db2.gz LUTRLSXJPBNSDH-CHWSQXEVSA-N -1 3 297.757 3.022 20 0 CGADHM CC[C@H](c1ccc(F)cc1F)N1CC[C@H]2[C@@H](C(=O)[O-])[C@H]2C1 ZINC001550916668 938172508 /nfs/dbraw/zinc/17/25/08/938172508.db2.gz PKGPWNMEKHKIOH-DZGBDDFRSA-N -1 3 295.329 3.068 20 0 CGADHM Cc1c(Br)ccc([O-])c1NC(=O)c1ccc[nH]1 ZINC001556771207 938205516 /nfs/dbraw/zinc/20/55/16/938205516.db2.gz OEZFBKHIAWJHPC-UHFFFAOYSA-N -1 3 295.136 3.044 20 0 CGADHM Cc1cc(NC(=O)Cc2ccc([O-])c(F)c2)cc(O)c1C ZINC001558139706 938213619 /nfs/dbraw/zinc/21/36/19/938213619.db2.gz XHAVUXMUBHQOLQ-UHFFFAOYSA-N -1 3 289.306 3.035 20 0 CGADHM CCc1ccc(C(=O)Nc2cccc(CC)c2O)c([O-])c1 ZINC001558635827 938216944 /nfs/dbraw/zinc/21/69/44/938216944.db2.gz RNQUKNQHRCUYPK-UHFFFAOYSA-N -1 3 285.343 3.475 20 0 CGADHM CCn1ncc([N-]c2nc3c(cccc3F)o2)c1C ZINC001559271237 938224147 /nfs/dbraw/zinc/22/41/47/938224147.db2.gz ZUTDXEYUORZZSD-UHFFFAOYSA-N -1 3 260.272 3.235 20 0 CGADHM O=c1cc(CN2CCCc3c(F)cccc32)nc(C2CC2)[n-]1 ZINC001559580513 938230234 /nfs/dbraw/zinc/23/02/34/938230234.db2.gz KTPPNEORBNPAKM-UHFFFAOYSA-N -1 3 299.349 3.152 20 0 CGADHM C[C@H](C1CC1)N(C)Cc1cccc(C(=O)[O-])c1Cl ZINC000381830216 971781621 /nfs/dbraw/zinc/78/16/21/971781621.db2.gz GDDROOSSRHFREG-SECBINFHSA-N -1 3 267.756 3.269 20 0 CGADHM Cc1cc(CNCc2ccccc2C(=O)[O-])cc(Cl)n1 ZINC001594303749 957937873 /nfs/dbraw/zinc/93/78/73/957937873.db2.gz GKHISRSJJUVLFJ-UHFFFAOYSA-N -1 3 290.750 3.031 20 0 CGADHM CC(C)CC(C)(C)CNCc1ncc(C(=O)[O-])s1 ZINC000391257053 972326672 /nfs/dbraw/zinc/32/66/72/972326672.db2.gz SDTHCTQPDDBWDY-UHFFFAOYSA-N -1 3 270.398 3.003 20 0 CGADHM C[C@H](N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21)c1cccc(O)c1 ZINC001603242853 972395095 /nfs/dbraw/zinc/39/50/95/972395095.db2.gz MFQGCXSRZWSSJH-MZPVMMEZSA-N -1 3 297.354 3.356 20 0 CGADHM Cc1ccc([C@H](C)NCc2ccoc2C(=O)[O-])s1 ZINC000235519923 960451244 /nfs/dbraw/zinc/45/12/44/960451244.db2.gz RLERCRUAEHBMHA-VIFPVBQESA-N -1 3 265.334 3.199 20 0 CGADHM Cc1cccc(CNCc2ccsc2C(=O)[O-])c1 ZINC000235897959 960529144 /nfs/dbraw/zinc/52/91/44/960529144.db2.gz IUJJXFCBERWNFV-UHFFFAOYSA-N -1 3 261.346 3.045 20 0 CGADHM Cc1cnc(C(=O)Nc2cc(Cl)ccc2[O-])cc1C ZINC001566639292 960567327 /nfs/dbraw/zinc/56/73/27/960567327.db2.gz SPHATNOKYQALAZ-UHFFFAOYSA-N -1 3 276.723 3.310 20 0 CGADHM O=C(Nc1cccc([O-])c1F)c1cccc2ccncc21 ZINC001566435456 960927391 /nfs/dbraw/zinc/92/73/91/960927391.db2.gz IXXGQBIDUIMSQA-UHFFFAOYSA-N -1 3 282.274 3.332 20 0 CGADHM O=C(Nc1ccc(Cl)cc1[O-])[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001567234386 961145461 /nfs/dbraw/zinc/14/54/61/961145461.db2.gz JIVJWJOILLCWOE-ILPMLJPZSA-N -1 3 277.751 3.276 20 0 CGADHM O=C(Cc1ccc(C2CCC2)cc1)[N-]OCCC1CC1 ZINC001569612271 961801680 /nfs/dbraw/zinc/80/16/80/961801680.db2.gz ZKKAUTBLDXXUMP-UHFFFAOYSA-N -1 3 273.376 3.345 20 0 CGADHM CC(C)Nc1ccc(Oc2ccccc2)c(-c2nnn[n-]2)c1 ZINC001574297077 962294095 /nfs/dbraw/zinc/29/40/95/962294095.db2.gz OUXXAZJTQPUYOH-UHFFFAOYSA-N -1 3 295.346 3.479 20 0 CGADHM CC(C)Nc1ccc(Oc2ccccc2)c(-c2nn[n-]n2)c1 ZINC001574297077 962294115 /nfs/dbraw/zinc/29/41/15/962294115.db2.gz OUXXAZJTQPUYOH-UHFFFAOYSA-N -1 3 295.346 3.479 20 0 CGADHM CC1CCC(C)(C(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001576114248 962439596 /nfs/dbraw/zinc/43/95/96/962439596.db2.gz GXDXPUOSKSBTRZ-UHFFFAOYSA-N -1 3 299.378 3.022 20 0 CGADHM CC1CCC(C)(C(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001576114248 962439605 /nfs/dbraw/zinc/43/96/05/962439605.db2.gz GXDXPUOSKSBTRZ-UHFFFAOYSA-N -1 3 299.378 3.022 20 0 CGADHM Cc1cccc([O-])c1C(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC001586082022 963072323 /nfs/dbraw/zinc/07/23/23/963072323.db2.gz SVKFUORCYWVUBI-BFHYXJOUSA-N -1 3 273.376 3.399 20 0 CGADHM C[C@H]1CN(C(=O)c2cc3sccc3c([O-])c2)C[C@@H]1C ZINC001586812117 963137123 /nfs/dbraw/zinc/13/71/23/963137123.db2.gz BYMWOEBFMNVSON-UWVGGRQHSA-N -1 3 275.373 3.335 20 0 CGADHM CC(C)(C)c1ccncc1CNCc1ccc(C(=O)[O-])cc1 ZINC001588741428 963310789 /nfs/dbraw/zinc/31/07/89/963310789.db2.gz CSYFSHBSDPVIRA-UHFFFAOYSA-N -1 3 298.386 3.367 20 0 CGADHM C/C(=C\c1ccccc1)CN(C)Cc1ccc(C(=O)[O-])[nH]1 ZINC001589003524 963339705 /nfs/dbraw/zinc/33/97/05/963339705.db2.gz CQMYTYJFNDAEDW-JLHYYAGUSA-N -1 3 284.359 3.248 20 0 CGADHM C[C@H](N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21)c1cccnc1 ZINC001589122682 963345439 /nfs/dbraw/zinc/34/54/39/963345439.db2.gz FUFWFIFBDJXYOT-IUIKQTSFSA-N -1 3 282.343 3.045 20 0 CGADHM COc1ccsc1[C@H](C)NCc1ccc(C(=O)[O-])cc1 ZINC001604900668 974164911 /nfs/dbraw/zinc/16/49/11/974164911.db2.gz SCUBCONFDIMDJY-JTQLQIEISA-N -1 3 291.372 3.306 20 0 CGADHM CC(C)c1[nH]c(CNCc2ccc(F)cc2)cc1C(=O)[O-] ZINC001591917754 976376959 /nfs/dbraw/zinc/37/69/59/976376959.db2.gz AXNVFNWZJHBGLT-UHFFFAOYSA-N -1 3 290.338 3.265 20 0 CGADHM CC[C@@](C)(CC(=O)[O-])NCc1nc(Cl)ccc1Cl ZINC001594829000 982001991 /nfs/dbraw/zinc/00/19/91/982001991.db2.gz YXHZZAOVPISVMV-LBPRGKRZSA-N -1 3 291.178 3.121 20 0 CGADHM C[C@@H]1C[C@H]1N[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC001599881280 989487697 /nfs/dbraw/zinc/48/76/97/989487697.db2.gz XPPSVKDMSKZZAY-PFZYVWIYSA-N -1 3 274.147 3.117 20 0 CGADHM CC(C)[C@@H]1N(Cc2csc(C(=O)[O-])c2)CC12CCC2 ZINC001591100086 991719394 /nfs/dbraw/zinc/71/93/94/991719394.db2.gz RKYHAMMFOIQJBM-ZDUSSCGKSA-N -1 3 279.405 3.457 20 0 CGADHM CC(C)C[C@@H](C(=O)[O-])N(C)Cc1cc(F)c(F)cc1F ZINC001591428934 992520786 /nfs/dbraw/zinc/52/07/86/992520786.db2.gz VGGOBVFGNLROEO-ZDUSSCGKSA-N -1 3 289.297 3.035 20 0 CGADHM C[C@H](N[C@H](C(=O)[O-])c1cccc(Cl)c1)c1cccnc1 ZINC001593194671 994138855 /nfs/dbraw/zinc/13/88/55/994138855.db2.gz LFKFWQVRLAIWSU-HZMBPMFUSA-N -1 3 290.750 3.212 20 0 CGADHM C[C@H](N[C@H](C(=O)[O-])c1ccc(F)cc1)c1ccsc1 ZINC001593196986 994159626 /nfs/dbraw/zinc/15/96/26/994159626.db2.gz XOQSSCBPBJEEOG-ZANVPECISA-N -1 3 279.336 3.364 20 0 CGADHM C[C@H](c1ncc(C(=O)[O-])s1)N1CC[C@@H](C2CCCC2)C1 ZINC001593732500 996313589 /nfs/dbraw/zinc/31/35/89/996313589.db2.gz VPSGDVVEWLXOEM-ZYHUDNBSSA-N -1 3 294.420 3.414 20 0 CGADHM C[C@@H](c1ncc(C(=O)[O-])s1)N(CC1CC1)C1CCC1 ZINC001593732496 996313666 /nfs/dbraw/zinc/31/36/66/996313666.db2.gz VPCUFJUBRQPHTA-VIFPVBQESA-N -1 3 280.393 3.167 20 0 CGADHM C[C@H]1CCC(C)(C)N1Cc1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC001594296900 999144596 /nfs/dbraw/zinc/14/45/96/999144596.db2.gz YALOQZBEPNEJCT-JTQLQIEISA-N -1 3 287.363 3.024 20 0 CGADHM C[C@@H]1CCN(Cc2cc(C(=O)[O-])n(C)c2)[C@@H]2CCCC[C@@H]12 ZINC001594423025 999577581 /nfs/dbraw/zinc/57/75/81/999577581.db2.gz LUOYEVJBQJSQJI-VHDGCEQUSA-N -1 3 290.407 3.124 20 0 CGADHM C[C@H]1CCN(Cc2cc(C(=O)[O-])ccc2Cl)CCS1 ZINC001594423227 999578530 /nfs/dbraw/zinc/57/85/30/999578530.db2.gz PNVDPSKADOFNNQ-JTQLQIEISA-N -1 3 299.823 3.366 20 0 CGADHM CN(C[C@@H]1CC1(C)C)C(=O)c1cc([O-])ccc1Cl ZINC000621044759 349449870 /nfs/dbraw/zinc/44/98/70/349449870.db2.gz SIQVDPWPJRRNTL-VIFPVBQESA-N -1 3 267.756 3.164 20 0 CGADHM Cc1ccc(NC(=O)[C@@H]2C[C@@H]2C2CCCC2)c([O-])c1 ZINC000650998669 398192142 /nfs/dbraw/zinc/19/21/42/398192142.db2.gz HLWRFFACFOOIPW-CHWSQXEVSA-N -1 3 259.349 3.465 20 0 CGADHM Cc1cccc([O-])c1NC(=O)C[C@H]1CCO[C@@H](C(C)C)C1 ZINC000273073355 192037467 /nfs/dbraw/zinc/03/74/67/192037467.db2.gz FVSLEQJJTJTJCR-DZGCQCFKSA-N -1 3 291.391 3.480 20 0 CGADHM CC(C)(C)c1ccc(NC(=O)[C@@H]2CCC[C@H](O)C2)c([O-])c1 ZINC000337654817 214199857 /nfs/dbraw/zinc/19/98/57/214199857.db2.gz MPWDJUKAGCKKAD-YPMHNXCESA-N -1 3 291.391 3.179 20 0 CGADHM O=C(Nc1cccc([O-])c1F)[C@@H]1C[C@H]1C1CCCC1 ZINC000651602079 398257487 /nfs/dbraw/zinc/25/74/87/398257487.db2.gz BFMPAPFJZFRAOJ-WDEREUQCSA-N -1 3 263.312 3.296 20 0 CGADHM Cc1cc(C)c(-c2cc(=NC(=O)CCCF)[nH][n-]2)cc1C ZINC000621705488 349557074 /nfs/dbraw/zinc/55/70/74/349557074.db2.gz GSWREEQYKSEZFY-UHFFFAOYSA-N -1 3 289.354 3.112 20 0 CGADHM Cc1cccc([O-])c1NC(=O)[C@@H]1CCc2ccccc2C1 ZINC000651637861 398259799 /nfs/dbraw/zinc/25/97/99/398259799.db2.gz BIVHOQOYILPXTL-OAHLLOKOSA-N -1 3 281.355 3.444 20 0 CGADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1CC2(C1)CCCC2 ZINC000621961839 349614017 /nfs/dbraw/zinc/61/40/17/349614017.db2.gz WHLINXFUKSLBJD-UHFFFAOYSA-N -1 3 299.292 3.427 20 0 CGADHM Cc1ncc(CN[C@H]2CC[C@@H](C)c3ccccc32)c(=O)[n-]1 ZINC000346800003 282156600 /nfs/dbraw/zinc/15/66/00/282156600.db2.gz QKIAVGALQNABFA-BZNIZROVSA-N -1 3 283.375 3.219 20 0 CGADHM CC1(C)CC(NC(=O)c2csc(=O)[n-]2)CC(C)(C)C1 ZINC000350762598 219057737 /nfs/dbraw/zinc/05/77/37/219057737.db2.gz JHNWWOAZZHDPLI-UHFFFAOYSA-N -1 3 282.409 3.183 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC000622122615 349632195 /nfs/dbraw/zinc/63/21/95/349632195.db2.gz PTWVYEHLXQZVIK-WDNDVIMCSA-N -1 3 289.423 3.418 20 0 CGADHM O=C(c1cc(F)c[n-]c1=O)N1CCC[C@H]1CC1CCCC1 ZINC000622130274 349633837 /nfs/dbraw/zinc/63/38/37/349633837.db2.gz CZIFPURJQDPMRQ-ZDUSSCGKSA-N -1 3 292.354 3.111 20 0 CGADHM [O-]c1cccc(CN2CC[C@]3(CC3(F)F)C2)c1Cl ZINC000652064338 398322554 /nfs/dbraw/zinc/32/25/54/398322554.db2.gz LNBVEQWCCJVFAO-LBPRGKRZSA-N -1 3 273.710 3.277 20 0 CGADHM CC[C@H](Cc1ccccc1)NC(=O)c1ccc(C)cc1[O-] ZINC000436532430 529430352 /nfs/dbraw/zinc/43/03/52/529430352.db2.gz RASUARRVIINXHI-OAHLLOKOSA-N -1 3 283.371 3.452 20 0 CGADHM Cc1ccc(C(=O)N2CC(C)(c3ccccc3)C2)c([O-])c1C ZINC000622211981 349652396 /nfs/dbraw/zinc/65/23/96/349652396.db2.gz YIMXWWGTSGQGHP-UHFFFAOYSA-N -1 3 295.382 3.423 20 0 CGADHM Cc1cccc(CN(C)C(=O)Cc2ccc([O-])c(F)c2)c1 ZINC000622298955 349669465 /nfs/dbraw/zinc/66/94/65/349669465.db2.gz CSAKALHDCSMUHV-UHFFFAOYSA-N -1 3 287.334 3.041 20 0 CGADHM CC[C@@H](CC(F)(F)F)C(=O)Nc1ccccc1[O-] ZINC000448761741 529456536 /nfs/dbraw/zinc/45/65/36/529456536.db2.gz JUMZPAUJVCSAJU-QMMMGPOBSA-N -1 3 261.243 3.309 20 0 CGADHM CCc1cc(C(=O)N2CC[C@@H](C)C[C@H]2C)ccc1[O-] ZINC000425035013 529514639 /nfs/dbraw/zinc/51/46/39/529514639.db2.gz GJQMLXHIHARRPV-VXGBXAGGSA-N -1 3 261.365 3.215 20 0 CGADHM CCc1cc(C(=O)N2C[C@H](C)[C@@H](C)[C@@H]2C)ccc1[O-] ZINC000416318567 529515618 /nfs/dbraw/zinc/51/56/18/529515618.db2.gz GCSMXEGCELLVAN-TUAOUCFPSA-N -1 3 261.365 3.071 20 0 CGADHM CC[C@@H](Cc1ccccc1)NC(=O)c1ccc(OC)cc1[O-] ZINC000436533155 529545141 /nfs/dbraw/zinc/54/51/41/529545141.db2.gz UKYHBLHNJNJNEJ-AWEZNQCLSA-N -1 3 299.370 3.152 20 0 CGADHM CC[C@@H](Cc1ccccc1)NC(=O)c1ccc(C)cc1[O-] ZINC000436532428 529545377 /nfs/dbraw/zinc/54/53/77/529545377.db2.gz RASUARRVIINXHI-HNNXBMFYSA-N -1 3 283.371 3.452 20 0 CGADHM CC[C@@H](N=c1ncnc2[nH][n-]cc1-2)c1ccc(Cl)s1 ZINC000426905255 529571754 /nfs/dbraw/zinc/57/17/54/529571754.db2.gz PXAABCQQEJTKFT-MRVPVSSYSA-N -1 3 293.783 3.005 20 0 CGADHM CCc1noc(C)c1[N-]C(=O)c1c(F)cc(C)cc1F ZINC000622833602 349715774 /nfs/dbraw/zinc/71/57/74/349715774.db2.gz ILQOEMUJWFWJGZ-UHFFFAOYSA-N -1 3 280.274 3.384 20 0 CGADHM CC[C@H](NC(=O)c1ccc([O-])c(OC)c1)c1cccs1 ZINC000436637089 529567754 /nfs/dbraw/zinc/56/77/54/529567754.db2.gz VMTGZWJBRZJQLQ-NSHDSACASA-N -1 3 291.372 3.343 20 0 CGADHM CCc1ccc(C(=O)N2CC[C@H](C)C(F)(F)C2)c([O-])c1 ZINC000436816159 529599953 /nfs/dbraw/zinc/59/99/53/529599953.db2.gz CLOFSAMVLDNPNO-JTQLQIEISA-N -1 3 283.318 3.072 20 0 CGADHM Cc1cc(C(=O)N2CC(C)(c3ccccc3)C2)ccc1[O-] ZINC000623035074 349754291 /nfs/dbraw/zinc/75/42/91/349754291.db2.gz PWNNRSHUDCZBMS-UHFFFAOYSA-N -1 3 281.355 3.114 20 0 CGADHM CCc1ccc(C(=O)NCC2(C(F)(F)F)CC2)c([O-])c1 ZINC000436660180 529603036 /nfs/dbraw/zinc/60/30/36/529603036.db2.gz BYFAXNRBYNHXSQ-UHFFFAOYSA-N -1 3 287.281 3.027 20 0 CGADHM CCc1ccc(CN[C@@H](C(=O)[O-])c2ccc(C)cc2)cc1 ZINC000426712699 529654161 /nfs/dbraw/zinc/65/41/61/529654161.db2.gz YCGOWIYQVLRBBJ-QGZVFWFLSA-N -1 3 283.371 3.473 20 0 CGADHM C[C@@H](CC(=O)Nc1cc(Cl)ccc1[O-])n1cccc1 ZINC000591441301 346922979 /nfs/dbraw/zinc/92/29/79/346922979.db2.gz HBKIRNKIMWNYDV-JTQLQIEISA-N -1 3 278.739 3.437 20 0 CGADHM CCS[C@H](C)c1noc(-c2cc(OC)ccc2[O-])n1 ZINC000273890037 192351128 /nfs/dbraw/zinc/35/11/28/192351128.db2.gz JDHDVYUYJJUXKJ-MRVPVSSYSA-N -1 3 280.349 3.265 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2C[C@@H](C)C[C@H]2CC)c1 ZINC000436590998 529691494 /nfs/dbraw/zinc/69/14/94/529691494.db2.gz VFPKICXCOPZISI-WCQYABFASA-N -1 3 261.365 3.215 20 0 CGADHM CCc1ccc([O-])c(C(=O)N[C@@H](CC)CC(F)(F)F)c1 ZINC000436982423 529692257 /nfs/dbraw/zinc/69/22/57/529692257.db2.gz UGQFFWYTIAUWDX-JTQLQIEISA-N -1 3 289.297 3.415 20 0 CGADHM CC(C)(C)C(=O)CCCC(=O)[N-]OCc1ccc(F)cc1 ZINC000295047268 199318414 /nfs/dbraw/zinc/31/84/14/199318414.db2.gz XIYIPBBFUHXOIS-UHFFFAOYSA-N -1 3 295.354 3.159 20 0 CGADHM COc1cccc(NCc2nc(C)ccc2[O-])c1C ZINC000623645710 349853871 /nfs/dbraw/zinc/85/38/71/349853871.db2.gz LDCQJRCPAIHHCG-UHFFFAOYSA-N -1 3 258.321 3.025 20 0 CGADHM O=C(N[C@H](c1ccccc1)C(F)F)c1cccc([O-])c1 ZINC000351531748 219118166 /nfs/dbraw/zinc/11/81/66/219118166.db2.gz YCNRLTICPFVSSP-CYBMUJFWSA-N -1 3 277.270 3.128 20 0 CGADHM Cc1cccc([O-])c1C(=O)N[C@H]1CCCc2occc21 ZINC000623807618 349888109 /nfs/dbraw/zinc/88/81/09/349888109.db2.gz LNVRKZZOQUZCDN-LBPRGKRZSA-N -1 3 271.316 3.101 20 0 CGADHM [O-]c1ccc(F)c(CN2CCc3cccc(F)c3C2)c1F ZINC000351607548 219144513 /nfs/dbraw/zinc/14/45/13/219144513.db2.gz LLYSDAGALCYQIV-UHFFFAOYSA-N -1 3 293.288 3.368 20 0 CGADHM O=C([O-])[C@@H]1CCCCN1Cc1cc2ccccc2s1 ZINC000003756156 344859566 /nfs/dbraw/zinc/85/95/66/344859566.db2.gz YSYQTQHCORUHDE-ZDUSSCGKSA-N -1 3 275.373 3.340 20 0 CGADHM O=C(Nc1ncccc1[O-])c1cc2ccccc2s1 ZINC000022264195 344895040 /nfs/dbraw/zinc/89/50/40/344895040.db2.gz PWMANBPJDWGTAL-UHFFFAOYSA-N -1 3 270.313 3.254 20 0 CGADHM CCCc1cc(C(=O)Nc2ncccc2[O-])sc1C ZINC000022262622 344895131 /nfs/dbraw/zinc/89/51/31/344895131.db2.gz NAYBLDPVIDTHIW-UHFFFAOYSA-N -1 3 276.361 3.362 20 0 CGADHM Cc1cc(S(=O)(=O)[N-][C@H]2CC[C@@H](C)C2)sc1Cl ZINC000231808090 260227737 /nfs/dbraw/zinc/22/77/37/260227737.db2.gz VXJMJZHODZKIGD-APPZFPTMSA-N -1 3 293.841 3.177 20 0 CGADHM C[C@H]1SCCN(Cc2cccc([O-])c2Cl)[C@H]1C ZINC000351622817 219151015 /nfs/dbraw/zinc/15/10/15/219151015.db2.gz FQPGUOQPWJAXSQ-VHSXEESVSA-N -1 3 271.813 3.371 20 0 CGADHM CCc1nnsc1C(=O)[N-]c1cccc(Cl)c1F ZINC000061052846 345226139 /nfs/dbraw/zinc/22/61/39/345226139.db2.gz AMOUDSKAZYUQGP-UHFFFAOYSA-N -1 3 285.731 3.145 20 0 CGADHM Cc1ccc(C(=O)NCCOc2c(C)cccc2C)c([O-])c1 ZINC000058983981 345205990 /nfs/dbraw/zinc/20/59/90/345205990.db2.gz WWNDLRIOJLVWCP-UHFFFAOYSA-N -1 3 299.370 3.126 20 0 CGADHM O=C(CCc1ccncc1)Nc1cc(Cl)ccc1[O-] ZINC000067145649 345315776 /nfs/dbraw/zinc/31/57/76/345315776.db2.gz HACHRNSNQIGSTF-UHFFFAOYSA-N -1 3 276.723 3.012 20 0 CGADHM CO[N-]C(=O)[C@@H]1CCCC[C@H]1c1nc2ccccc2s1 ZINC000073084510 345430207 /nfs/dbraw/zinc/43/02/07/345430207.db2.gz GAACLOAOXJHZJR-GHMZBOCLSA-N -1 3 290.388 3.248 20 0 CGADHM O=C([N-]c1nc2ccc(Cl)cc2s1)c1cocn1 ZINC000074695576 345478832 /nfs/dbraw/zinc/47/88/32/345478832.db2.gz FXSCJNDJCSUXAI-UHFFFAOYSA-N -1 3 279.708 3.190 20 0 CGADHM Cc1ccc(C(=O)N2C[C@@H]3CCCC[C@H]3C2)c([O-])c1C ZINC000078247204 345595847 /nfs/dbraw/zinc/59/58/47/345595847.db2.gz ABJHXIJMFULAJF-KBPBESRZSA-N -1 3 273.376 3.271 20 0 CGADHM C[C@H](CCC[C@H](C)NCc1cccc(F)c1F)C(=O)[O-] ZINC000087677905 345757084 /nfs/dbraw/zinc/75/70/84/345757084.db2.gz YNFHVMICTLIJEZ-MNOVXSKESA-N -1 3 285.334 3.334 20 0 CGADHM Cc1ccccc1CN(C)[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC000091780908 345823742 /nfs/dbraw/zinc/82/37/42/345823742.db2.gz VUFLOVDJRBGKPG-LBPRGKRZSA-N -1 3 273.332 3.479 20 0 CGADHM CC[C@H](c1ccc(F)cc1)N1CCSC[C@@H]1CC(=O)[O-] ZINC000091133063 345804580 /nfs/dbraw/zinc/80/45/80/345804580.db2.gz MUQAPLHCHSGSNJ-UONOGXRCSA-N -1 3 297.395 3.169 20 0 CGADHM CCO[C@@H]1C[C@H](N(C)Cc2c(F)ccc([O-])c2F)C1(C)C ZINC000351643872 219160720 /nfs/dbraw/zinc/16/07/20/219160720.db2.gz JQMADLXYDVBLSL-UONOGXRCSA-N -1 3 299.361 3.306 20 0 CGADHM O=C(N[C@@H](c1ccccc1)[C@H]1CCCO1)c1ccccc1[O-] ZINC000171466999 232268352 /nfs/dbraw/zinc/26/83/52/232268352.db2.gz OKGOYUGVJAFYQI-SJORKVTESA-N -1 3 297.354 3.042 20 0 CGADHM C[C@@H](NCc1nc2c3ccccc3oc2c(=O)[n-]1)C(C)(C)C ZINC000114196271 345963825 /nfs/dbraw/zinc/96/38/25/345963825.db2.gz CQSHEPVZOTTXMM-SNVBAGLBSA-N -1 3 299.374 3.194 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)CCc2cccnc2)c1[O-] ZINC000116979269 345980858 /nfs/dbraw/zinc/98/08/58/345980858.db2.gz MEMQATCJFCAJKF-UHFFFAOYSA-N -1 3 290.750 3.320 20 0 CGADHM Cc1ccc(C(=O)NCc2cc(C(C)C)no2)c([O-])c1C ZINC000114557325 345966396 /nfs/dbraw/zinc/96/63/96/345966396.db2.gz DWTWEZWQWQITBF-UHFFFAOYSA-N -1 3 288.347 3.050 20 0 CGADHM CC[C@@H](c1ccncc1)N(C)C(=O)c1cccc(C)c1[O-] ZINC000128325220 187363969 /nfs/dbraw/zinc/36/39/69/187363969.db2.gz OHNDENQIRZTRLG-HNNXBMFYSA-N -1 3 284.359 3.319 20 0 CGADHM Cc1ccc(F)c([N-]S(=O)(=O)c2cc(C)cc(F)c2)c1 ZINC000176675624 232342913 /nfs/dbraw/zinc/34/29/13/232342913.db2.gz RLIRJAVRDQVZLT-UHFFFAOYSA-N -1 3 297.326 3.382 20 0 CGADHM CC(C)[C@]1(C(=O)[O-])CCN([C@@H](C)c2ccc(F)cc2F)C1 ZINC000232764997 346326874 /nfs/dbraw/zinc/32/68/74/346326874.db2.gz VAAXYTLUSVNPCO-ZBEGNZNMSA-N -1 3 297.345 3.459 20 0 CGADHM CC(C)C1CCN([C@@H](C)c2ccc(C(=O)[O-])o2)CC1 ZINC000232543491 346326336 /nfs/dbraw/zinc/32/63/36/346326336.db2.gz SCBUCULWDQJCTQ-NSHDSACASA-N -1 3 265.353 3.407 20 0 CGADHM Cc1ccc(CN2CCC[C@@](C)(C(=O)[O-])C2)c(Cl)c1 ZINC000235877388 346337795 /nfs/dbraw/zinc/33/77/95/346337795.db2.gz MSFYZGFARCGMFW-OAHLLOKOSA-N -1 3 281.783 3.335 20 0 CGADHM CC[C@@]1(C)CCCN([C@H](C)c2nc(C)cc(=O)[n-]2)C1 ZINC000248763714 346378741 /nfs/dbraw/zinc/37/87/41/346378741.db2.gz RGZMKWPYLWIZTK-DOMZBBRYSA-N -1 3 263.385 3.064 20 0 CGADHM CCCC[C@@H](C(=O)[O-])N(C)Cc1sccc1C ZINC000383634871 346562553 /nfs/dbraw/zinc/56/25/53/346562553.db2.gz CSVCJSSMOUUUGR-NSHDSACASA-N -1 3 255.383 3.132 20 0 CGADHM O=C([O-])c1cnc2ccccc2c1N1CC[C@H](C2CC2)C1 ZINC000400468404 346589523 /nfs/dbraw/zinc/58/95/23/346589523.db2.gz WGTNMGBDAAEIQP-LBPRGKRZSA-N -1 3 282.343 3.169 20 0 CGADHM [O-]c1ccc(-c2noc([C@@H]3CC[C@H]4C[C@H]4C3)n2)cc1 ZINC000403795833 346597725 /nfs/dbraw/zinc/59/77/25/346597725.db2.gz CYQZZTZOVOWVMY-TUAOUCFPSA-N -1 3 256.305 3.346 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-]C2(C)CCCCC2)c(F)c1 ZINC000404884165 346601589 /nfs/dbraw/zinc/60/15/89/346601589.db2.gz RGTCGCVGPQFHHJ-UHFFFAOYSA-N -1 3 285.384 3.135 20 0 CGADHM C[C@@H]1CCc2ccccc2N1C(=O)c1cccc([O-])c1 ZINC000019837789 136578469 /nfs/dbraw/zinc/57/84/69/136578469.db2.gz MHXCXMMQUBRDAN-GFCCVEGCSA-N -1 3 267.328 3.374 20 0 CGADHM [O-]c1cccc(CN[C@@H](CCO)c2ccccc2)c1Cl ZINC000339277820 215061214 /nfs/dbraw/zinc/06/12/14/215061214.db2.gz XVZOPIPZDFYLKY-AWEZNQCLSA-N -1 3 291.778 3.259 20 0 CGADHM COc1ccccc1NCc1c(F)ccc([O-])c1F ZINC000351828012 219218109 /nfs/dbraw/zinc/21/81/09/219218109.db2.gz NLMUNDHJSANXKP-UHFFFAOYSA-N -1 3 265.259 3.291 20 0 CGADHM CO[C@H](CCNCc1cccc([O-])c1Cl)C(F)(F)F ZINC000339369885 215127915 /nfs/dbraw/zinc/12/79/15/215127915.db2.gz NYOWCYIOSZINBQ-SNVBAGLBSA-N -1 3 297.704 3.103 20 0 CGADHM CSc1nnc(NC(=O)C[C@@H]2CCCC(C)(C)C2)[n-]1 ZINC000339390089 215140892 /nfs/dbraw/zinc/14/08/92/215140892.db2.gz BVHHATVTSYTRIX-VIFPVBQESA-N -1 3 282.413 3.072 20 0 CGADHM CSc1n[n-]c(NC(=O)C[C@@H]2CCCC(C)(C)C2)n1 ZINC000339390089 215140893 /nfs/dbraw/zinc/14/08/93/215140893.db2.gz BVHHATVTSYTRIX-VIFPVBQESA-N -1 3 282.413 3.072 20 0 CGADHM CSc1nc(NC(=O)C[C@@H]2CCCC(C)(C)C2)n[n-]1 ZINC000339390089 215140895 /nfs/dbraw/zinc/14/08/95/215140895.db2.gz BVHHATVTSYTRIX-VIFPVBQESA-N -1 3 282.413 3.072 20 0 CGADHM Cc1cc([N-]C(=O)[C@@H](C)N2CCCc3c(C)cccc32)on1 ZINC000603943353 348104614 /nfs/dbraw/zinc/10/46/14/348104614.db2.gz OCMWBHLDQSJWJO-CYBMUJFWSA-N -1 3 299.374 3.071 20 0 CGADHM Cc1ccccc1C(C)(C)NC(=O)c1cccc([O-])c1 ZINC000357037999 232888139 /nfs/dbraw/zinc/88/81/39/232888139.db2.gz ADIHEDDQCMKTBB-UHFFFAOYSA-N -1 3 269.344 3.366 20 0 CGADHM Cc1ccc([O-])c(C(=O)NCC2(c3cccc(F)c3)CC2)c1 ZINC000606793678 348199212 /nfs/dbraw/zinc/19/92/12/348199212.db2.gz DRAOXTZHDHVDET-UHFFFAOYSA-N -1 3 299.345 3.301 20 0 CGADHM CCc1cc([N-]C(=O)c2cc(Cl)sc2Cl)no1 ZINC000606889874 348204682 /nfs/dbraw/zinc/20/46/82/348204682.db2.gz MLDNQCOXJIDDAR-UHFFFAOYSA-N -1 3 291.159 3.280 20 0 CGADHM Cc1cccc([O-])c1C(=O)N(C)CCCc1ccccc1 ZINC000624140963 349987563 /nfs/dbraw/zinc/98/75/63/349987563.db2.gz ALHWUSWVTOAHMU-UHFFFAOYSA-N -1 3 283.371 3.405 20 0 CGADHM O=C(NCc1cc2c(s1)CCCC2)c1ccccc1[O-] ZINC000612640653 348536974 /nfs/dbraw/zinc/53/69/74/348536974.db2.gz CDVPHGYOGIZPRM-UHFFFAOYSA-N -1 3 287.384 3.263 20 0 CGADHM C[C@H]1CCN(Cc2cc([O-])cc(F)c2)CC1(C)C ZINC000351981488 219275040 /nfs/dbraw/zinc/27/50/40/219275040.db2.gz KXAXZCGFWICVIC-NSHDSACASA-N -1 3 251.345 3.399 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2ccc(C3CC3)cc2)n1 ZINC000614164834 348653477 /nfs/dbraw/zinc/65/34/77/348653477.db2.gz SBPBVPGEHLZDPJ-UHFFFAOYSA-N -1 3 268.316 3.225 20 0 CGADHM Cc1ccc(C(=O)N[C@H](C)c2ncccc2F)c([O-])c1C ZINC000614221989 348659737 /nfs/dbraw/zinc/65/97/37/348659737.db2.gz YOWBJOXUHIXUSG-LLVKDONJSA-N -1 3 288.322 3.034 20 0 CGADHM COc1ccc(C)cc1CNC(=O)c1ccc(C)c(C)c1[O-] ZINC000613596946 348621788 /nfs/dbraw/zinc/62/17/88/348621788.db2.gz MWPUSVPBVVHFOP-UHFFFAOYSA-N -1 3 299.370 3.256 20 0 CGADHM CSc1ccc([O-])c(C(=O)N2CC[C@H]3CCC[C@@H]32)c1 ZINC000613697279 348628400 /nfs/dbraw/zinc/62/84/00/348628400.db2.gz XSSPMRYRYMNFJK-MFKMUULPSA-N -1 3 277.389 3.129 20 0 CGADHM Cc1cc(C(=O)N2CCC[C@@H](c3ccccn3)C2)ccc1[O-] ZINC000615257858 348727823 /nfs/dbraw/zinc/72/78/23/348727823.db2.gz WFVALLQSPNSRQQ-OAHLLOKOSA-N -1 3 296.370 3.115 20 0 CGADHM CO[C@@H]1CC[C@H](C(=O)Nc2ccc(C(C)(C)C)cc2[O-])C1 ZINC000614489234 348680342 /nfs/dbraw/zinc/68/03/42/348680342.db2.gz SGUKXBKUCIFCCW-WCQYABFASA-N -1 3 291.391 3.443 20 0 CGADHM CC[C@@H]1CCC[C@@H]1C(=O)NCc1ccc([O-])c2ncccc12 ZINC000616022443 348782601 /nfs/dbraw/zinc/78/26/01/348782601.db2.gz GPKLDBJCLXXLHO-DOMZBBRYSA-N -1 3 298.386 3.383 20 0 CGADHM CC(C)C[C@@H]1C[C@H]1C(=O)NCc1ccc([O-])c2ncccc12 ZINC000616024114 348782723 /nfs/dbraw/zinc/78/27/23/348782723.db2.gz YSRSELCONOHHIA-UKRRQHHQSA-N -1 3 298.386 3.239 20 0 CGADHM O=[S@@](CCC1CCCCC1)c1ccc([O-])cc1 ZINC000616193233 348796166 /nfs/dbraw/zinc/79/61/66/348796166.db2.gz AVPJPRBLOYMZGN-KRWDZBQOSA-N -1 3 252.379 3.470 20 0 CGADHM CC1(C)CC[C@H]1C(=O)Nc1ccc([O-])cc1Cl ZINC000616942819 348885412 /nfs/dbraw/zinc/88/54/12/348885412.db2.gz DPDICSIKBLIREB-VIFPVBQESA-N -1 3 253.729 3.420 20 0 CGADHM CC(C)Cn1nccc1C(=O)Nc1ccc([O-])cc1Cl ZINC000616942952 348885971 /nfs/dbraw/zinc/88/59/71/348885971.db2.gz JHLZOAROZSXNJR-UHFFFAOYSA-N -1 3 293.754 3.150 20 0 CGADHM O=C(c1cc([O-])ccc1Cl)N1CCC[C@@H](CCF)C1 ZINC000618698181 349147809 /nfs/dbraw/zinc/14/78/09/349147809.db2.gz TXUGQPBPYMPQFS-JTQLQIEISA-N -1 3 285.746 3.257 20 0 CGADHM COc1ccc(C=Cc2cc(=O)[n-]c(C3CC3)n2)c(OC)c1 ZINC000352021823 219293493 /nfs/dbraw/zinc/29/34/93/219293493.db2.gz RISKBVWQGPGZAB-FNORWQNLSA-N -1 3 298.342 3.247 20 0 CGADHM Cc1cc(C(=O)N[C@H](C)C2CCC(F)CC2)ccc1[O-] ZINC000619956662 349296943 /nfs/dbraw/zinc/29/69/43/349296943.db2.gz BXQFJVDGBBAQIC-LKSINWNRSA-N -1 3 279.355 3.347 20 0 CGADHM CC(C)(C)Oc1cccc(C(=O)Nc2ccccc2[O-])n1 ZINC000624488803 350052967 /nfs/dbraw/zinc/05/29/67/350052967.db2.gz HMZFCSHJMXEBFT-UHFFFAOYSA-N -1 3 286.331 3.217 20 0 CGADHM CCC(F)(F)C[N-]S(=O)(=O)c1cccc2ccccc21 ZINC000625453725 350174396 /nfs/dbraw/zinc/17/43/96/350174396.db2.gz CXSYRHZGXGRTEE-UHFFFAOYSA-N -1 3 299.342 3.163 20 0 CGADHM CN(Cc1cc([O-])ccc1Cl)[C@H](CO)CC(C)(C)C ZINC000625461913 350174986 /nfs/dbraw/zinc/17/49/86/350174986.db2.gz SSPKWTVOVUUVND-LBPRGKRZSA-N -1 3 285.815 3.275 20 0 CGADHM CCc1cccc(Cl)c1CN1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000625970263 350238017 /nfs/dbraw/zinc/23/80/17/350238017.db2.gz MFUOBQBWLCEARB-DGCLKSJQSA-N -1 3 295.810 3.445 20 0 CGADHM Cc1cccc([O-])c1NC(=O)C[C@H](C)C(F)(F)F ZINC000626338885 350296518 /nfs/dbraw/zinc/29/65/18/350296518.db2.gz MXGYAKJGDBUGLS-QMMMGPOBSA-N -1 3 261.243 3.228 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CC[C@H](C)C2(CCC2)C1 ZINC000626345509 350296607 /nfs/dbraw/zinc/29/66/07/350296607.db2.gz MFVPVORNFBYSFT-ZDUSSCGKSA-N -1 3 273.376 3.353 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1Cc2ccccc2OC[C@@H]1C ZINC000626417624 350304213 /nfs/dbraw/zinc/30/42/13/350304213.db2.gz AOBCGZZSWRRVPW-ZDUSSCGKSA-N -1 3 297.354 3.124 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1C[C@H](C)C[C@@H]1c1cccnc1 ZINC000626445577 350307346 /nfs/dbraw/zinc/30/73/46/350307346.db2.gz FTPULHCKTRXSJM-IUODEOHRSA-N -1 3 296.370 3.319 20 0 CGADHM CC[C@H](CC(F)(F)F)NC(=O)c1c(C)cccc1[O-] ZINC000626459121 350309312 /nfs/dbraw/zinc/30/93/12/350309312.db2.gz QKXLTFCTMVYDJA-SECBINFHSA-N -1 3 275.270 3.161 20 0 CGADHM CCO[C@H](C(=O)N1CC[C@H](C)c2cccc([O-])c21)C1CC1 ZINC000626482002 350312489 /nfs/dbraw/zinc/31/24/89/350312489.db2.gz BNAOCZNGDYYHLA-ZBEGNZNMSA-N -1 3 289.375 3.048 20 0 CGADHM Cc1c(Br)ccc([O-])c1NC(=O)C12CC(C1)C2 ZINC000627567977 350367089 /nfs/dbraw/zinc/36/70/89/350367089.db2.gz IYTAMEITEDNIFE-UHFFFAOYSA-N -1 3 296.164 3.202 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CCC2(CCC2)CC1 ZINC000627182219 350354535 /nfs/dbraw/zinc/35/45/35/350354535.db2.gz OICKTPZUNPMQHY-UHFFFAOYSA-N -1 3 259.349 3.107 20 0 CGADHM Cc1cc(=O)[n-]c(C(C)(C)NC[C@@H]2C[C@@H]2c2ccccc2)n1 ZINC000628374968 350519898 /nfs/dbraw/zinc/51/98/98/350519898.db2.gz PUNBNMJOOSRQNV-LSDHHAIUSA-N -1 3 297.402 3.119 20 0 CGADHM COc1ccc(C(=O)N2CC(C)(C)CCC2(C)C)c([O-])c1 ZINC000628531755 350567007 /nfs/dbraw/zinc/56/70/07/350567007.db2.gz GRTOCKDHJRYVJZ-UHFFFAOYSA-N -1 3 291.391 3.442 20 0 CGADHM CCC[C@@H](C)CCCSc1nc2c(cnn2C)c(=O)[n-]1 ZINC000629220280 350670388 /nfs/dbraw/zinc/67/03/88/350670388.db2.gz KSNINEKFXVEZCS-SNVBAGLBSA-N -1 3 294.424 3.377 20 0 CGADHM O=C([O-])c1ccccc1CN1CCCC(F)(F)CC1 ZINC000629368749 350680671 /nfs/dbraw/zinc/68/06/71/350680671.db2.gz SOFXOAWZJZOQPX-UHFFFAOYSA-N -1 3 269.291 3.006 20 0 CGADHM O=C([O-])[C@@H]1CCN(Cc2ccc(F)cc2F)[C@H]2CCC[C@H]21 ZINC000629374219 350682207 /nfs/dbraw/zinc/68/22/07/350682207.db2.gz QATPASVGBXMQMS-GUTXKFCHSA-N -1 3 295.329 3.040 20 0 CGADHM C/C=C\C[C@H]1CCCN(Cc2occc2C(=O)[O-])C1 ZINC000629375336 350683313 /nfs/dbraw/zinc/68/33/13/350683313.db2.gz DFRZSYAIJDWUNV-DLGQBQFBSA-N -1 3 263.337 3.156 20 0 CGADHM C/C=C\C[C@H]1CCCN(C(=O)c2cccc(OC)c2[O-])C1 ZINC000629875242 350782686 /nfs/dbraw/zinc/78/26/86/350782686.db2.gz AYURGGRNCXQGQB-SCOBNMCVSA-N -1 3 289.375 3.219 20 0 CGADHM C/C=C/C[C@@H]1CCCN(C(=O)c2cccc(OC)c2[O-])C1 ZINC000629875238 350782871 /nfs/dbraw/zinc/78/28/71/350782871.db2.gz AYURGGRNCXQGQB-ITDFMYJTSA-N -1 3 289.375 3.219 20 0 CGADHM O=C([O-])C[C@H](CNCc1cc(F)ccc1F)C1CCCC1 ZINC000630470281 350845450 /nfs/dbraw/zinc/84/54/50/350845450.db2.gz HVWXWXBYKPOMBE-GFCCVEGCSA-N -1 3 297.345 3.336 20 0 CGADHM CCc1nc(CNC[C@H](CC(=O)[O-])C2CCCC2)cs1 ZINC000630473558 350846073 /nfs/dbraw/zinc/84/60/73/350846073.db2.gz ZTNXGGDYIHILTQ-LBPRGKRZSA-N -1 3 296.436 3.076 20 0 CGADHM CC(C)(C(=O)Nc1cccc([O-])c1F)[C@@H]1CCCCO1 ZINC000632183615 351178215 /nfs/dbraw/zinc/17/82/15/351178215.db2.gz ABFDPHSXZKTYOQ-LBPRGKRZSA-N -1 3 281.327 3.065 20 0 CGADHM CC[C@H](C)Cc1noc(-c2cccc(OC)c2[O-])n1 ZINC000632247806 351184836 /nfs/dbraw/zinc/18/48/36/351184836.db2.gz BVBGAUGCESFIOY-VIFPVBQESA-N -1 3 262.309 3.039 20 0 CGADHM Cc1cc(C(=O)N2CCC[C@@H](c3cccnc3)C2)ccc1[O-] ZINC000633537752 351318723 /nfs/dbraw/zinc/31/87/23/351318723.db2.gz BGGJAGCUCUCCKX-MRXNPFEDSA-N -1 3 296.370 3.115 20 0 CGADHM Cc1cccc(C(=O)N2CCC[C@H](c3cccnc3)C2)c1[O-] ZINC000633543540 351319968 /nfs/dbraw/zinc/31/99/68/351319968.db2.gz PRVJEZLDXQHTJI-HNNXBMFYSA-N -1 3 296.370 3.115 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CCC[C@H](c3cccnc3)C2)c1 ZINC000633543277 351320112 /nfs/dbraw/zinc/32/01/12/351320112.db2.gz NDPMLVNYLWULDW-HNNXBMFYSA-N -1 3 296.370 3.115 20 0 CGADHM COC(C)(C)C(=O)[N-]c1onc(C2CCCCC2)c1C ZINC000291383825 198006815 /nfs/dbraw/zinc/00/68/15/198006815.db2.gz BLSYWZVENBQRSV-UHFFFAOYSA-N -1 3 280.368 3.394 20 0 CGADHM CO[C@H](COc1cc2occ([O-])c2c(C)c1)c1ccccc1 ZINC000634560923 351514009 /nfs/dbraw/zinc/51/40/09/351514009.db2.gz CRIRUIZTLAEERI-QGZVFWFLSA-N -1 3 298.338 3.337 20 0 CGADHM CC[C@@H](OC)C(=O)[N-]c1onc(C2CCCCC2)c1C ZINC000291392460 198009138 /nfs/dbraw/zinc/00/91/38/198009138.db2.gz CTFWMKKMOIXQCF-GFCCVEGCSA-N -1 3 280.368 3.394 20 0 CGADHM CCc1cc(C(=O)N(Cc2ccccn2)C2CC2)ccc1[O-] ZINC000291444799 198023552 /nfs/dbraw/zinc/02/35/52/198023552.db2.gz LCIROYUIEHQGNT-UHFFFAOYSA-N -1 3 296.370 3.154 20 0 CGADHM Cc1[n-]n(Cc2cccc(Cl)c2)c(=O)c1C1CC1 ZINC000634604702 351538796 /nfs/dbraw/zinc/53/87/96/351538796.db2.gz OLCKVBRVLYGGKA-ZDUSSCGKSA-N -1 3 262.740 3.084 20 0 CGADHM CCc1cc(C(=O)N(C)[C@H](C)c2cccnc2)ccc1[O-] ZINC000291475956 198032615 /nfs/dbraw/zinc/03/26/15/198032615.db2.gz JYSKLMPIVUBAOY-GFCCVEGCSA-N -1 3 284.359 3.183 20 0 CGADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)CCCCC(C)C)n1 ZINC000636111274 351723278 /nfs/dbraw/zinc/72/32/78/351723278.db2.gz ITGVSDWSPJPYPW-UHFFFAOYSA-N -1 3 293.411 3.058 20 0 CGADHM CC[C@@H](C)CON=C([O-])Nc1cc(C)ccc1OC ZINC000291659481 198054062 /nfs/dbraw/zinc/05/40/62/198054062.db2.gz AAPUKIDPBTXYMJ-SNVBAGLBSA-N -1 3 266.341 3.103 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)Nc1cc(C)ccc1OC ZINC000291659481 198054063 /nfs/dbraw/zinc/05/40/63/198054063.db2.gz AAPUKIDPBTXYMJ-SNVBAGLBSA-N -1 3 266.341 3.103 20 0 CGADHM C[C@@]1(C2CCCCC2)CCN1C(=O)c1cc(F)c[n-]c1=O ZINC000636383083 351745702 /nfs/dbraw/zinc/74/57/02/351745702.db2.gz ICBQATBZHAKYNP-INIZCTEOSA-N -1 3 292.354 3.111 20 0 CGADHM C[C@@H](CN(C)C(=O)c1ccc2[nH][n-]c(=O)c2c1)C(C)(C)C ZINC000636429513 351755380 /nfs/dbraw/zinc/75/53/80/351755380.db2.gz JABNOMLFEHKBIO-JTQLQIEISA-N -1 3 289.379 3.023 20 0 CGADHM Cc1ccccc1NC([O-])=NOCCC(F)(F)F ZINC000122440343 187032422 /nfs/dbraw/zinc/03/24/22/187032422.db2.gz MPCVQMJQSILEIM-UHFFFAOYSA-N -1 3 262.231 3.001 20 0 CGADHM Cc1ccccc1NC(=O)[N-]OCCC(F)(F)F ZINC000122440343 187032423 /nfs/dbraw/zinc/03/24/23/187032423.db2.gz MPCVQMJQSILEIM-UHFFFAOYSA-N -1 3 262.231 3.001 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)Nc1ccc(OC(F)F)cc1 ZINC000291906329 198101585 /nfs/dbraw/zinc/10/15/85/198101585.db2.gz QCCUPQASELCGKI-SECBINFHSA-N -1 3 288.294 3.387 20 0 CGADHM Cc1c([O-])ccc2c(Cn3ccnc3C(C)C)cc(=O)oc12 ZINC000123562780 187098858 /nfs/dbraw/zinc/09/88/58/187098858.db2.gz WCMMMTNQPOWAJV-UHFFFAOYSA-N -1 3 298.342 3.175 20 0 CGADHM CC[C@@H](C)CON=C([O-])Nc1cc(F)ccc1F ZINC000291988309 198127292 /nfs/dbraw/zinc/12/72/92/198127292.db2.gz ZRQDXUYIQMYZNV-MRVPVSSYSA-N -1 3 258.268 3.064 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)Nc1cc(F)ccc1F ZINC000291988309 198127293 /nfs/dbraw/zinc/12/72/93/198127293.db2.gz ZRQDXUYIQMYZNV-MRVPVSSYSA-N -1 3 258.268 3.064 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CC3(CCC3)C[C@H]2C)c1 ZINC000365317038 234096795 /nfs/dbraw/zinc/09/67/95/234096795.db2.gz HLCHZIKTYJFZIC-GFCCVEGCSA-N -1 3 259.349 3.105 20 0 CGADHM O=c1nc(CN(C2CCC2)C2CCC2)[n-]c2ccsc21 ZINC000292118759 198170124 /nfs/dbraw/zinc/17/01/24/198170124.db2.gz AEVQAOXNPNHYRN-UHFFFAOYSA-N -1 3 289.404 3.304 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)[C@H]2CC23CCOCC3)c1[O-] ZINC000365788608 234128426 /nfs/dbraw/zinc/12/84/26/234128426.db2.gz UQXJEQBLUOQOMT-LLVKDONJSA-N -1 3 295.766 3.109 20 0 CGADHM CCCOc1cccc(NC([O-])=NO[C@H]2CCCCO2)c1 ZINC000154685706 188157879 /nfs/dbraw/zinc/15/78/79/188157879.db2.gz KYCBRABHSDRCLO-AWEZNQCLSA-N -1 3 294.351 3.055 20 0 CGADHM CCCOc1cccc(NC(=O)[N-]O[C@H]2CCCCO2)c1 ZINC000154685706 188157881 /nfs/dbraw/zinc/15/78/81/188157881.db2.gz KYCBRABHSDRCLO-AWEZNQCLSA-N -1 3 294.351 3.055 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)Nc1cnc(Cl)c(C)c1 ZINC000292744967 198397748 /nfs/dbraw/zinc/39/77/48/198397748.db2.gz NKQCYSLPUYWKPU-QMMMGPOBSA-N -1 3 271.748 3.143 20 0 CGADHM [O-]C(=NOC1CCCC1)Nc1cc(F)c(F)cc1F ZINC000271818423 191346855 /nfs/dbraw/zinc/34/68/55/191346855.db2.gz NHIVSHMSGALDHT-UHFFFAOYSA-N -1 3 274.242 3.100 20 0 CGADHM O=C([N-]OC1CCCC1)Nc1cc(F)c(F)cc1F ZINC000271818423 191346857 /nfs/dbraw/zinc/34/68/57/191346857.db2.gz NHIVSHMSGALDHT-UHFFFAOYSA-N -1 3 274.242 3.100 20 0 CGADHM O=c1cc(COc2ccc(Cl)cc2F)nc(C2CC2)[n-]1 ZINC000412979502 235235254 /nfs/dbraw/zinc/23/52/54/235235254.db2.gz ANOUIBYVZUUONI-UHFFFAOYSA-N -1 3 294.713 3.431 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)C2(C)CCC2)c1[O-] ZINC000340332633 215543653 /nfs/dbraw/zinc/54/36/53/215543653.db2.gz WKKOBEFDPSWPJQ-UHFFFAOYSA-N -1 3 253.729 3.483 20 0 CGADHM Cc1cc(C(=O)N[C@H]2CCCc3occc32)ccc1[O-] ZINC000272633110 191836309 /nfs/dbraw/zinc/83/63/09/191836309.db2.gz WZYGAHZFRDXJJI-ZDUSSCGKSA-N -1 3 271.316 3.101 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)CCc1ccc2ccccc2n1 ZINC000293632303 198710506 /nfs/dbraw/zinc/71/05/06/198710506.db2.gz FNWOHBUQIWUTLX-ZDUSSCGKSA-N -1 3 286.375 3.261 20 0 CGADHM CCCN(C)Cc1ccc(OC)c([O-])c1Br ZINC000273746473 192290363 /nfs/dbraw/zinc/29/03/63/192290363.db2.gz MUTHKDLFFOGFCO-UHFFFAOYSA-N -1 3 288.185 3.005 20 0 CGADHM O=c1cc(CSCC2CCC2)nc(C2CC2)[n-]1 ZINC000419435586 235703427 /nfs/dbraw/zinc/70/34/27/235703427.db2.gz LKDMHMTVRKUWDP-UHFFFAOYSA-N -1 3 250.367 3.093 20 0 CGADHM O=C(Nc1ccccc1[O-])c1coc(C2CCCC2)n1 ZINC000336318781 213161981 /nfs/dbraw/zinc/16/19/81/213161981.db2.gz GNQCTEFWYFGMTC-UHFFFAOYSA-N -1 3 272.304 3.290 20 0 CGADHM O=C(c1ccc([O-])cc1)C1CCN(Cc2ccco2)CC1 ZINC000124040243 138372182 /nfs/dbraw/zinc/37/21/82/138372182.db2.gz XDZYFAYDHCAUSQ-UHFFFAOYSA-N -1 3 285.343 3.080 20 0 CGADHM CCCN(C[C@H]1CCCCO1)C(=O)c1cc(C)ccc1[O-] ZINC000436716407 283287697 /nfs/dbraw/zinc/28/76/97/283287697.db2.gz AMZBIDZTJTVHOM-CQSZACIVSA-N -1 3 291.391 3.122 20 0 CGADHM C[C@@H]1C[C@H]1NC(=O)CCc1ccc2ccccc2c1[O-] ZINC000294547095 199081224 /nfs/dbraw/zinc/08/12/24/199081224.db2.gz JXOQPISLADLHIC-IAQYHMDHSA-N -1 3 269.344 3.003 20 0 CGADHM O=C([O-])c1ccccc1CCNCc1ccsc1Cl ZINC000426634467 236302914 /nfs/dbraw/zinc/30/29/14/236302914.db2.gz MMIWXHUYDIYXFI-UHFFFAOYSA-N -1 3 295.791 3.432 20 0 CGADHM Cc1ccc(F)cc1CN[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000426807668 236315576 /nfs/dbraw/zinc/31/55/76/236315576.db2.gz IMVRUNNIKHLTNW-HNNXBMFYSA-N -1 3 291.297 3.189 20 0 CGADHM CCC(=O)[C@H]1CCCCN1C(=O)c1cc([O-])ccc1Cl ZINC000294617454 199108786 /nfs/dbraw/zinc/10/87/86/199108786.db2.gz PUXCGFFREDQECL-CYBMUJFWSA-N -1 3 295.766 3.019 20 0 CGADHM C[C@H]1CCCC[C@H]1OCCNCc1cccc(C(=O)[O-])c1 ZINC000263453934 138573023 /nfs/dbraw/zinc/57/30/23/138573023.db2.gz GXQCIDQXOVRHOZ-XJKSGUPXSA-N -1 3 291.391 3.070 20 0 CGADHM Cc1ccc([O-])c(CNc2ccc3scnc3c2)n1 ZINC000362996772 138603551 /nfs/dbraw/zinc/60/35/51/138603551.db2.gz MEGJPUMRHRWBNC-UHFFFAOYSA-N -1 3 271.345 3.317 20 0 CGADHM Cc1nc(C2CC2)ccc1C(=O)Nc1cccc([O-])c1F ZINC000336186031 213005369 /nfs/dbraw/zinc/00/53/69/213005369.db2.gz MPTGAVZPBYPTKN-UHFFFAOYSA-N -1 3 286.306 3.364 20 0 CGADHM CCC[C@H](OC)C(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000294860119 199217961 /nfs/dbraw/zinc/21/79/61/199217961.db2.gz OFFOHUXIGBDGON-NSHDSACASA-N -1 3 291.269 3.165 20 0 CGADHM Cc1ccc(C(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)c([O-])c1 ZINC000436562958 237130843 /nfs/dbraw/zinc/13/08/43/237130843.db2.gz CFADDQJXHMDPHU-BFHYXJOUSA-N -1 3 273.376 3.399 20 0 CGADHM Cc1ccc(C(=O)N[C@@H](C)Cc2ccccc2F)c([O-])c1 ZINC000436674285 237157525 /nfs/dbraw/zinc/15/75/25/237157525.db2.gz RHWGIASUFBYLSI-LBPRGKRZSA-N -1 3 287.334 3.201 20 0 CGADHM Cc1ccc(C(=O)N[C@@H](C)c2cccc(O)c2)c([O-])c1C ZINC000436568425 237133444 /nfs/dbraw/zinc/13/34/44/237133444.db2.gz XJPUVTAOCYTEGR-LBPRGKRZSA-N -1 3 285.343 3.206 20 0 CGADHM Cc1ccc([O-])c(C(=O)NC[C@H](C)c2ccc(F)cc2)c1 ZINC000436720191 237165879 /nfs/dbraw/zinc/16/58/79/237165879.db2.gz DUSNXJKQRULNMM-LBPRGKRZSA-N -1 3 287.334 3.373 20 0 CGADHM Cc1cc(NC(=O)c2cccc(C)c2[O-])cc2n[nH]cc21 ZINC000436960628 237223377 /nfs/dbraw/zinc/22/33/77/237223377.db2.gz HOFDNXRTLAFBSG-UHFFFAOYSA-N -1 3 281.315 3.138 20 0 CGADHM Cc1cc(C(=O)NCCO[C@@H]2CCCC[C@@H]2C)ccc1[O-] ZINC000436898593 237203005 /nfs/dbraw/zinc/20/30/05/237203005.db2.gz YYUOORLPFCJJHU-BLLLJJGKSA-N -1 3 291.391 3.026 20 0 CGADHM CCn1c2ccccc2nc1NC(=O)c1ccc([O-])c(C)c1 ZINC000436894749 237203471 /nfs/dbraw/zinc/20/34/71/237203471.db2.gz GOXNGZOGFXTCPG-UHFFFAOYSA-N -1 3 295.342 3.323 20 0 CGADHM Cc1cc(C(=O)NCCO[C@@H]2CCCC[C@H]2C)ccc1[O-] ZINC000436898595 237204946 /nfs/dbraw/zinc/20/49/46/237204946.db2.gz YYUOORLPFCJJHU-MLGOLLRUSA-N -1 3 291.391 3.026 20 0 CGADHM Cc1ccncc1CN(C)C(=O)c1ccc(C(C)C)cc1[O-] ZINC000436908527 237207477 /nfs/dbraw/zinc/20/74/77/237207477.db2.gz VSZUZGLMSDPICS-UHFFFAOYSA-N -1 3 298.386 3.491 20 0 CGADHM Cc1nnc(-c2ccc(C(=O)Nc3ccccc3[O-])cc2)o1 ZINC000436919688 237208572 /nfs/dbraw/zinc/20/85/72/237208572.db2.gz DDKKHSPDMSGLQN-UHFFFAOYSA-N -1 3 295.298 3.003 20 0 CGADHM Cc1cc(C(=O)N(Cc2cccnc2)C(C)C)ccc1[O-] ZINC000436929260 237210843 /nfs/dbraw/zinc/21/08/43/237210843.db2.gz YWIUIHBNAAWYJI-UHFFFAOYSA-N -1 3 284.359 3.146 20 0 CGADHM Cc1nc2cc(NC(=O)c3ccc([O-])c(C)c3)ccc2[nH]1 ZINC000436922259 237214051 /nfs/dbraw/zinc/21/40/51/237214051.db2.gz MHJFIIHOKYRROC-UHFFFAOYSA-N -1 3 281.315 3.138 20 0 CGADHM Cc1cc(C(=O)N[C@H]2CCO[C@H](CC(C)C)C2)ccc1[O-] ZINC000436940054 237216383 /nfs/dbraw/zinc/21/63/83/237216383.db2.gz SWNZZDDTZSYPQL-LSDHHAIUSA-N -1 3 291.391 3.024 20 0 CGADHM Cc1cc(C(=O)N[C@@H]2CCO[C@H](CC(C)C)C2)ccc1[O-] ZINC000436940053 237216713 /nfs/dbraw/zinc/21/67/13/237216713.db2.gz SWNZZDDTZSYPQL-HUUCEWRRSA-N -1 3 291.391 3.024 20 0 CGADHM [O-]C(=NOC1CCCC1)Nc1ccc(C2CCC2)cn1 ZINC000296995772 200057297 /nfs/dbraw/zinc/05/72/97/200057297.db2.gz LNDUERIGMVEVKY-UHFFFAOYSA-N -1 3 275.352 3.345 20 0 CGADHM O=C([N-]OC1CCCC1)Nc1ccc(C2CCC2)cn1 ZINC000296995772 200057299 /nfs/dbraw/zinc/05/72/99/200057299.db2.gz LNDUERIGMVEVKY-UHFFFAOYSA-N -1 3 275.352 3.345 20 0 CGADHM O=C(N=c1cc(-c2ccccc2)[n-][nH]1)c1cc(F)cc(F)c1 ZINC000341656649 216051059 /nfs/dbraw/zinc/05/10/59/216051059.db2.gz JHAWZNGGGJGBKF-UHFFFAOYSA-N -1 3 299.280 3.029 20 0 CGADHM CC[C@H](C)CON=C([O-])Nc1cc(F)c(F)cc1OC ZINC000297447538 200193589 /nfs/dbraw/zinc/19/35/89/200193589.db2.gz QEWHXTFAMVFMRU-QMMMGPOBSA-N -1 3 288.294 3.073 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)Nc1cc(F)c(F)cc1OC ZINC000297447538 200193590 /nfs/dbraw/zinc/19/35/90/200193590.db2.gz QEWHXTFAMVFMRU-QMMMGPOBSA-N -1 3 288.294 3.073 20 0 CGADHM CCOc1cc(CN2CCO[C@@H](C)[C@H]2C)cc(Cl)c1[O-] ZINC000297913664 200303376 /nfs/dbraw/zinc/30/33/76/200303376.db2.gz SMDDANGVKHDLDH-MNOVXSKESA-N -1 3 299.798 3.054 20 0 CGADHM CCCCNc1ccccc1C(=O)Nc1ncccc1[O-] ZINC000341894840 216141408 /nfs/dbraw/zinc/14/14/08/216141408.db2.gz YTFGGBXDNDDSHE-UHFFFAOYSA-N -1 3 285.347 3.252 20 0 CGADHM C[C@H](CSc1ccccc1)C(=O)Nc1ncccc1[O-] ZINC000341904563 216147129 /nfs/dbraw/zinc/14/71/29/216147129.db2.gz UNQLYWPSVIZSLA-LLVKDONJSA-N -1 3 288.372 3.154 20 0 CGADHM CC(C)(C)c1ncsc1C(=O)Nc1ccccc1[O-] ZINC000177392284 189047269 /nfs/dbraw/zinc/04/72/69/189047269.db2.gz UVYXTKXCZGPOAK-UHFFFAOYSA-N -1 3 276.361 3.399 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)N(C)Cc2cccc(Cl)c2)n1 ZINC000177913638 189078801 /nfs/dbraw/zinc/07/88/01/189078801.db2.gz PSHBZLZYAWRUBN-LLVKDONJSA-N -1 3 291.782 3.337 20 0 CGADHM Cc1noc(C)c1[C@@H](C)CC(=O)[N-]OCc1ccccc1 ZINC000179070523 189166276 /nfs/dbraw/zinc/16/62/76/189166276.db2.gz XLSGXNNFWFBVOU-NSHDSACASA-N -1 3 288.347 3.033 20 0 CGADHM CC(=O)[N-]O[C@H](C)c1nc(C)c(-c2ccc(Cl)cc2)o1 ZINC000180802905 189275936 /nfs/dbraw/zinc/27/59/36/189275936.db2.gz ITPGXOYPSGQBJO-SECBINFHSA-N -1 3 294.738 3.432 20 0 CGADHM CCO[N-]C(=O)Nc1ccc(SC)c(Cl)c1 ZINC000183011432 189342861 /nfs/dbraw/zinc/34/28/61/189342861.db2.gz NYIYAFXDPPNVOV-UHFFFAOYSA-N -1 3 260.746 3.135 20 0 CGADHM O=C(c1cccc([O-])c1)N1CCC[C@H](Nc2ccccc2)C1 ZINC000182838780 189336827 /nfs/dbraw/zinc/33/68/27/189336827.db2.gz XDNSHOWLTIKXPQ-INIZCTEOSA-N -1 3 296.370 3.109 20 0 CGADHM C[C@@H](c1cccs1)N(C)C(=O)Cc1ccc([O-])c(F)c1 ZINC000448723894 239033207 /nfs/dbraw/zinc/03/32/07/239033207.db2.gz CUKVKHQLFXPPCI-JTQLQIEISA-N -1 3 293.363 3.355 20 0 CGADHM Cc1nc2c(s1)[C@@H]([N-]c1nc(C(C)C)no1)CCC2 ZINC000302008914 201297585 /nfs/dbraw/zinc/29/75/85/201297585.db2.gz BPNGLINURQTMAT-JTQLQIEISA-N -1 3 278.381 3.447 20 0 CGADHM CCc1cccc(C(=O)N(Cc2ccccn2)C(C)C)c1[O-] ZINC000537640612 376189902 /nfs/dbraw/zinc/18/99/02/376189902.db2.gz UWKBADIMFZIGKE-UHFFFAOYSA-N -1 3 298.386 3.400 20 0 CGADHM C[C@H]1Cc2ccccc2N1C([O-])=NOCCC(F)(F)F ZINC000119737836 370703934 /nfs/dbraw/zinc/70/39/34/370703934.db2.gz SERVUAKCDVLMOS-VIFPVBQESA-N -1 3 288.269 3.031 20 0 CGADHM C[C@H]1Cc2ccccc2N1C(=O)[N-]OCCC(F)(F)F ZINC000119737836 370703942 /nfs/dbraw/zinc/70/39/42/370703942.db2.gz SERVUAKCDVLMOS-VIFPVBQESA-N -1 3 288.269 3.031 20 0 CGADHM Cc1csc(S(=O)(=O)[N-]C23CCC(CC2)CC3)c1 ZINC000451084194 240214930 /nfs/dbraw/zinc/21/49/30/240214930.db2.gz JMPSOLYOUVIFSX-UHFFFAOYSA-N -1 3 285.434 3.058 20 0 CGADHM CC[C@@H]1CCC[C@@H]1CNC(=O)NCc1ccc([O-])c(F)c1 ZINC000455269623 241225995 /nfs/dbraw/zinc/22/59/95/241225995.db2.gz GRWWRXZUYZJOIV-CHWSQXEVSA-N -1 3 294.370 3.157 20 0 CGADHM O=C(COCC1CCCC1)Nc1ccc(Cl)cc1[O-] ZINC000455999093 241341994 /nfs/dbraw/zinc/34/19/94/241341994.db2.gz KMOCYFSVSWWWSX-UHFFFAOYSA-N -1 3 283.755 3.191 20 0 CGADHM Cc1cccc(N(C)Cc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000459321312 242070712 /nfs/dbraw/zinc/07/07/12/242070712.db2.gz GJNCXITZBXNALR-UHFFFAOYSA-N -1 3 269.348 3.004 20 0 CGADHM CCOc1cc(CN(C)Cc2ccc[nH]2)cc(Cl)c1[O-] ZINC000459342605 242078848 /nfs/dbraw/zinc/07/88/48/242078848.db2.gz GEZFYUXYRMQVGP-UHFFFAOYSA-N -1 3 294.782 3.404 20 0 CGADHM C[C@@H]1CC[N@H+](Cc2cc(=O)[n-]c(-c3ccccc3)n2)[C@H]1C ZINC000459350557 242086831 /nfs/dbraw/zinc/08/68/31/242086831.db2.gz GBPFYBVJMZMECW-OLZOCXBDSA-N -1 3 283.375 3.080 20 0 CGADHM C[C@@H]1CCN(Cc2cc(=O)[n-]c(-c3ccccc3)n2)[C@H]1C ZINC000459350557 242086837 /nfs/dbraw/zinc/08/68/37/242086837.db2.gz GBPFYBVJMZMECW-OLZOCXBDSA-N -1 3 283.375 3.080 20 0 CGADHM Cc1cc(C(=O)N2CCc3c2cccc3F)ccc1[O-] ZINC000461753778 242311248 /nfs/dbraw/zinc/31/12/48/242311248.db2.gz HHUKKPZHMVUJNF-UHFFFAOYSA-N -1 3 271.291 3.043 20 0 CGADHM CC(C)c1cccc(CNC(=O)c2cccc([O-])c2)c1 ZINC000479177893 243095068 /nfs/dbraw/zinc/09/50/68/243095068.db2.gz DCKCIWPLKKGQRT-UHFFFAOYSA-N -1 3 269.344 3.446 20 0 CGADHM C[C@H]1CC[C@@H](CNC(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000478114810 243068475 /nfs/dbraw/zinc/06/84/75/243068475.db2.gz YWGJMRVIPNGDBL-GXTWGEPZSA-N -1 3 293.382 3.406 20 0 CGADHM COc1cc(-c2nc(-c3ccccc3)no2)cc(OC)c1[O-] ZINC000003237723 368497305 /nfs/dbraw/zinc/49/73/05/368497305.db2.gz QRHAVCLTJDDDMK-UHFFFAOYSA-N -1 3 298.298 3.126 20 0 CGADHM CCc1cc(C(=O)N2CCCC[C@H](C)C2)ccc1[O-] ZINC000487101313 243399985 /nfs/dbraw/zinc/39/99/85/243399985.db2.gz PHKICJIMPSDEPZ-LBPRGKRZSA-N -1 3 261.365 3.217 20 0 CGADHM COc1ccc(C(=O)N(Cc2ccccc2)C2CC2)c([O-])c1 ZINC000123542125 370913459 /nfs/dbraw/zinc/91/34/59/370913459.db2.gz ZNCUKWMBUFATST-UHFFFAOYSA-N -1 3 297.354 3.206 20 0 CGADHM CSc1cccc(NC(=O)c2cccc([O-])c2)c1 ZINC000019837938 368769933 /nfs/dbraw/zinc/76/99/33/368769933.db2.gz GBPXRQAUBAVZBS-UHFFFAOYSA-N -1 3 259.330 3.366 20 0 CGADHM O=C([O-])CN(Cc1c(F)cccc1Cl)C1CCCC1 ZINC000032132866 368926427 /nfs/dbraw/zinc/92/64/27/368926427.db2.gz IELDCEFWQJFARQ-UHFFFAOYSA-N -1 3 285.746 3.308 20 0 CGADHM CCc1ccc([C@H](NCc2ccccc2)C(=O)[O-])cc1 ZINC000037952374 369127483 /nfs/dbraw/zinc/12/74/83/369127483.db2.gz KFQQBOPJDAJONA-INIZCTEOSA-N -1 3 269.344 3.165 20 0 CGADHM O=C(/C=C/c1ccc2ccccc2c1)[N-]OC1CCOCC1 ZINC000492690933 244008333 /nfs/dbraw/zinc/00/83/33/244008333.db2.gz WFIHXJCMZVLBBB-SOFGYWHQSA-N -1 3 297.354 3.080 20 0 CGADHM O=C(/C=C\c1ccc(F)c(Cl)c1)[N-]OC1CCC1 ZINC000492957307 244059264 /nfs/dbraw/zinc/05/92/64/244059264.db2.gz KSSDGVHEYNGEQF-ALCCZGGFSA-N -1 3 269.703 3.093 20 0 CGADHM Cc1cccc(C(=O)Nc2cccc(F)c2F)c1[O-] ZINC000040231315 369153682 /nfs/dbraw/zinc/15/36/82/369153682.db2.gz POTJPGWDQITZES-UHFFFAOYSA-N -1 3 263.243 3.231 20 0 CGADHM CC(C)O[N-]C(=O)/C=C\Sc1cc(F)ccc1F ZINC000493066057 244089718 /nfs/dbraw/zinc/08/97/18/244089718.db2.gz RRCOZNJBJORQSQ-WAYWQWQTSA-N -1 3 273.304 3.027 20 0 CGADHM COc1cccc(C(=O)N(C)[C@@H]2CCC[C@@H](C)C2)c1[O-] ZINC000042355396 369216024 /nfs/dbraw/zinc/21/60/24/369216024.db2.gz WRMPRAXZEOCTDR-VXGBXAGGSA-N -1 3 277.364 3.052 20 0 CGADHM Cc1ccc([O-])c(C(=O)N(C)[C@H]2CCC[C@@H](C)C2)c1 ZINC000042355460 369216104 /nfs/dbraw/zinc/21/61/04/369216104.db2.gz QGNIDGIIQWQBEG-YPMHNXCESA-N -1 3 261.365 3.351 20 0 CGADHM Cc1ccc(C)c(CN(C)C(=O)/C=C\c2cncc([O-])c2)c1 ZINC000493525989 244180692 /nfs/dbraw/zinc/18/06/92/244180692.db2.gz NTLFQWZEJJQNRK-SREVYHEPSA-N -1 3 296.370 3.076 20 0 CGADHM CCCc1ccccc1NC(=O)c1csc(=NCC)[n-]1 ZINC000495178078 244364939 /nfs/dbraw/zinc/36/49/39/244364939.db2.gz PAWIQGZKOGRTKJ-UHFFFAOYSA-N -1 3 289.404 3.202 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CC[C@H](c3ccccc3)C2)c1 ZINC000050273065 369434946 /nfs/dbraw/zinc/43/49/46/369434946.db2.gz XMPDKZAVWJQWMS-HNNXBMFYSA-N -1 3 281.355 3.330 20 0 CGADHM CSc1ccc(CN2CCC[C@@H](CC(=O)[O-])C2)cc1 ZINC000054300512 369499556 /nfs/dbraw/zinc/49/95/56/369499556.db2.gz JFFPYFQMCTWUCN-ZDUSSCGKSA-N -1 3 279.405 3.095 20 0 CGADHM CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc([O-])c(OC)c1 ZINC000276238224 193252458 /nfs/dbraw/zinc/25/24/58/193252458.db2.gz UFLUILRNQSFWFK-DGCLKSJQSA-N -1 3 277.364 3.099 20 0 CGADHM CCc1ccc(C(=O)N(C)[C@@H](C)CCSC)c([O-])c1 ZINC000276566099 193383321 /nfs/dbraw/zinc/38/33/21/193383321.db2.gz SKEJKURLJXCVMV-NSHDSACASA-N -1 3 281.421 3.168 20 0 CGADHM O=C(c1ccccc1[O-])N1CC=C(c2ccc(O)cc2)CC1 ZINC000073068566 369849295 /nfs/dbraw/zinc/84/92/95/369849295.db2.gz FFKDJJSQZHZKAE-UHFFFAOYSA-N -1 3 295.338 3.027 20 0 CGADHM [O-]C(=NOC1CCCC1)Nc1cccc(Cl)c1 ZINC000074581750 369883475 /nfs/dbraw/zinc/88/34/75/369883475.db2.gz UXBHGMUBIRPBTI-UHFFFAOYSA-N -1 3 254.717 3.336 20 0 CGADHM O=C([N-]OC1CCCC1)Nc1cccc(Cl)c1 ZINC000074581750 369883478 /nfs/dbraw/zinc/88/34/78/369883478.db2.gz UXBHGMUBIRPBTI-UHFFFAOYSA-N -1 3 254.717 3.336 20 0 CGADHM CC(C)C[C@H](C)OCCC(=O)Nc1ccccc1[O-] ZINC000088281123 370032821 /nfs/dbraw/zinc/03/28/21/370032821.db2.gz FXYHRLJDMJPZAE-LBPRGKRZSA-N -1 3 265.353 3.172 20 0 CGADHM COc1cccc(C(=O)N[C@@H]2CCCCC2(C)C)c1[O-] ZINC000094330204 370166837 /nfs/dbraw/zinc/16/68/37/370166837.db2.gz FDJNISPHZPFHEB-CYBMUJFWSA-N -1 3 277.364 3.099 20 0 CGADHM CSc1cc(C(=O)Nc2cc(Cl)ccc2[O-])ccn1 ZINC000097129324 370229303 /nfs/dbraw/zinc/22/93/03/370229303.db2.gz XANTZMKDRYVKJX-UHFFFAOYSA-N -1 3 294.763 3.415 20 0 CGADHM COc1cccc(-c2nc(-c3cccs3)no2)c1[O-] ZINC000104412743 370344924 /nfs/dbraw/zinc/34/49/24/370344924.db2.gz WCEBSBZEYOZUSN-UHFFFAOYSA-N -1 3 274.301 3.179 20 0 CGADHM Cc1cc([N-]S(=O)(=O)c2cc(Cl)ccc2C)ccn1 ZINC000112496170 370429053 /nfs/dbraw/zinc/42/90/53/370429053.db2.gz BSXRYNMPMKDQNC-UHFFFAOYSA-N -1 3 296.779 3.153 20 0 CGADHM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccncc1C ZINC000112496613 370429510 /nfs/dbraw/zinc/42/95/10/370429510.db2.gz SHYHZUPOOCDFSQ-UHFFFAOYSA-N -1 3 296.779 3.153 20 0 CGADHM Cc1ccsc1CCNCc1c(F)ccc([O-])c1F ZINC000511926291 245012800 /nfs/dbraw/zinc/01/28/00/245012800.db2.gz KIUHYBOLINXHDU-UHFFFAOYSA-N -1 3 283.343 3.373 20 0 CGADHM CN(Cc1c(F)ccc([O-])c1F)C[C@H]1CC=CCC1 ZINC000512395545 245037883 /nfs/dbraw/zinc/03/78/83/245037883.db2.gz XANPGSDYFWGYTB-NSHDSACASA-N -1 3 267.319 3.459 20 0 CGADHM Cc1ccc([O-])c(C(=O)NCC(C)(C)Oc2ccccc2)c1 ZINC000513400266 245077290 /nfs/dbraw/zinc/07/72/90/245077290.db2.gz BMDPIHUCCDMWOE-UHFFFAOYSA-N -1 3 299.370 3.288 20 0 CGADHM C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)c1ccc(O)cc1[O-] ZINC000115138359 370523085 /nfs/dbraw/zinc/52/30/85/370523085.db2.gz JXSMOUVENYOTSX-GXTWGEPZSA-N -1 3 297.354 3.116 20 0 CGADHM Cc1ccc(-c2nc([C@H]3CCO[C@@H](C)C3)no2)c([O-])c1 ZINC000331631864 204027724 /nfs/dbraw/zinc/02/77/24/204027724.db2.gz IAYVGCKXXRKDLC-QWRGUYRKSA-N -1 3 274.320 3.033 20 0 CGADHM C[C@H](Cc1ccccc1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000133015200 371218659 /nfs/dbraw/zinc/21/86/59/371218659.db2.gz WUXGUBPTRWFPSD-GFCCVEGCSA-N -1 3 287.334 3.026 20 0 CGADHM Cc1n[nH]c(C)c1[C@H](C)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000133442052 371251570 /nfs/dbraw/zinc/25/15/70/371251570.db2.gz RRJPSDPJZUPSOD-ZETCQYMHSA-N -1 3 293.754 3.128 20 0 CGADHM C[C@@H](CCC[C@H](C)C(=O)[O-])NCc1c(F)cccc1F ZINC000133767494 371276979 /nfs/dbraw/zinc/27/69/79/371276979.db2.gz KOMIKFJVJPVQOC-QWRGUYRKSA-N -1 3 285.334 3.334 20 0 CGADHM Cc1ccc(CNC(=O)Cc2ccc([O-])cc2Cl)cc1 ZINC000136058629 371459033 /nfs/dbraw/zinc/45/90/33/371459033.db2.gz LGVXXAWGFMZGBK-UHFFFAOYSA-N -1 3 289.762 3.213 20 0 CGADHM Cc1ccc(C(=O)N2C[C@@H](C)CCC[C@@H]2C)c([O-])c1 ZINC000150773284 371537219 /nfs/dbraw/zinc/53/72/19/371537219.db2.gz GLYBHCRDDHUEBA-STQMWFEESA-N -1 3 261.365 3.351 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)Sc2ncccc2C)n1 ZINC000286693149 371539649 /nfs/dbraw/zinc/53/96/49/371539649.db2.gz ZLGAYSAMSNJAEF-JTQLQIEISA-N -1 3 261.350 3.047 20 0 CGADHM CC1(C)CC[C@@H]1NC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000287188201 371617114 /nfs/dbraw/zinc/61/71/14/371617114.db2.gz OWVKPQHZAWEBBE-NSHDSACASA-N -1 3 287.281 3.329 20 0 CGADHM CC[C@@H]1CCN(C(=O)c2c[n-]c3ccc(C)cc3c2=O)C1 ZINC000287510287 371667852 /nfs/dbraw/zinc/66/78/52/371667852.db2.gz UXEKCIVRMINDAG-GFCCVEGCSA-N -1 3 284.359 3.121 20 0 CGADHM CSc1cc(C(=O)Nc2ccc(Cl)cc2[O-])ccn1 ZINC000153447573 371769509 /nfs/dbraw/zinc/76/95/09/371769509.db2.gz ZINVXPVMQFCTNL-UHFFFAOYSA-N -1 3 294.763 3.415 20 0 CGADHM O=C([O-])C[C@H](NCc1ccc(F)cc1)c1cccs1 ZINC000037087848 541861360 /nfs/dbraw/zinc/86/13/60/541861360.db2.gz ILEKTVJZHHPVLT-LBPRGKRZSA-N -1 3 279.336 3.193 20 0 CGADHM COc1ccc(Cl)cc1CN(CCC(=O)[O-])C(C)C ZINC000037596384 541865415 /nfs/dbraw/zinc/86/54/15/541865415.db2.gz FGTBHTVXKVDUFG-UHFFFAOYSA-N -1 3 285.771 3.034 20 0 CGADHM CCCc1nnc([N-]C(=O)c2cc(C)c(CC)o2)s1 ZINC000159101149 372107107 /nfs/dbraw/zinc/10/71/07/372107107.db2.gz BJLQTLXPMOQNKP-UHFFFAOYSA-N -1 3 279.365 3.207 20 0 CGADHM O=C(Nc1ccc(Cl)cc1[O-])c1ccc(F)cc1 ZINC000153583934 321722573 /nfs/dbraw/zinc/72/25/73/321722573.db2.gz ZIFPKHMRMLINLE-UHFFFAOYSA-N -1 3 265.671 3.437 20 0 CGADHM CN(CCCC(=O)[O-])Cc1cc(F)cc(C(F)(F)F)c1 ZINC000159382812 372138419 /nfs/dbraw/zinc/13/84/19/372138419.db2.gz NKBMTBSWKHLLNU-UHFFFAOYSA-N -1 3 293.260 3.141 20 0 CGADHM C[C@H](CCCC(=O)[O-])NCc1ccc(F)cc1Cl ZINC000426659947 372167332 /nfs/dbraw/zinc/16/73/32/372167332.db2.gz KBGHCJUBJIOMGS-SECBINFHSA-N -1 3 273.735 3.212 20 0 CGADHM CCc1cc(C(=O)N2CCC(F)(F)[C@@H](C)C2)ccc1[O-] ZINC000292796876 372213231 /nfs/dbraw/zinc/21/32/31/372213231.db2.gz UMIMHWIIWFLEEF-JTQLQIEISA-N -1 3 283.318 3.072 20 0 CGADHM CCOCCC1(CNCc2cccc([O-])c2Cl)CC1 ZINC000293223889 372330705 /nfs/dbraw/zinc/33/07/05/372330705.db2.gz KCTJORHTBHGQFS-UHFFFAOYSA-N -1 3 283.799 3.342 20 0 CGADHM [O-]c1cccc(CNCCOCc2ccccc2)c1Cl ZINC000293528015 372402733 /nfs/dbraw/zinc/40/27/33/372402733.db2.gz JDOOZERXOKACNZ-UHFFFAOYSA-N -1 3 291.778 3.352 20 0 CGADHM Cc1cc(C(=O)Nc2cccc(C3CC3)n2)ccc1[O-] ZINC000293787846 372483433 /nfs/dbraw/zinc/48/34/33/372483433.db2.gz BXWLKMCBVOOHST-UHFFFAOYSA-N -1 3 268.316 3.225 20 0 CGADHM C[C@H](CC(=O)[N-]OCCC(F)(F)F)c1ccccc1F ZINC000162802339 372423560 /nfs/dbraw/zinc/42/35/60/372423560.db2.gz JSGWOLXTOWKBKY-SECBINFHSA-N -1 3 293.260 3.320 20 0 CGADHM CN(Cc1cccc([O-])c1Cl)C[C@@H]1CCCC[C@H]1O ZINC000293640247 372432867 /nfs/dbraw/zinc/43/28/67/372432867.db2.gz NVGCMPGBAZLRJJ-WCQYABFASA-N -1 3 283.799 3.029 20 0 CGADHM CCc1cc(=O)[n-]c(CN2CCCC[C@H]2[C@H](C)CC)n1 ZINC000344398185 217181315 /nfs/dbraw/zinc/18/13/15/217181315.db2.gz INNJJUIOSYQQOR-OCCSQVGLSA-N -1 3 277.412 3.145 20 0 CGADHM CCc1cc(=O)[n-]c(CN2CCC[C@H]2c2ccccc2C)n1 ZINC000344371545 217172073 /nfs/dbraw/zinc/17/20/73/217172073.db2.gz SJJBFCFICHQBIG-INIZCTEOSA-N -1 3 297.402 3.390 20 0 CGADHM CN(CCCC(=O)[O-])Cc1ccc(F)cc1C(F)(F)F ZINC000167662608 372600134 /nfs/dbraw/zinc/60/01/34/372600134.db2.gz JYMQUKJFVNBPQK-UHFFFAOYSA-N -1 3 293.260 3.141 20 0 CGADHM C[C@H](NC(=O)CCc1ccc2ccccc2c1[O-])C1CC1 ZINC000294212374 372614350 /nfs/dbraw/zinc/61/43/50/372614350.db2.gz AOSGAXQPOPANSZ-LBPRGKRZSA-N -1 3 283.371 3.393 20 0 CGADHM CCCc1cc(=O)[n-]c(C(=Cc2cn(C)nc2C)CC)n1 ZINC000435339144 372751556 /nfs/dbraw/zinc/75/15/56/372751556.db2.gz PEAUYRGGNJIDGB-XYOKQWHBSA-N -1 3 286.379 3.127 20 0 CGADHM [O-]c1ccc(F)c(CN2CCCC3(CCOCC3)C2)c1F ZINC000295390719 372759963 /nfs/dbraw/zinc/75/99/63/372759963.db2.gz PVHFZDPEKWJOJR-UHFFFAOYSA-N -1 3 297.345 3.063 20 0 CGADHM CCN(CCc1nccs1)Cc1c(F)ccc([O-])c1F ZINC000295471621 372792969 /nfs/dbraw/zinc/79/29/69/372792969.db2.gz WOCJVOWWZIYHNX-UHFFFAOYSA-N -1 3 298.358 3.192 20 0 CGADHM CC[C@@H](c1ccc(F)cc1)S(=O)(=O)c1nc(C)c(C)[n-]1 ZINC000295950590 372971414 /nfs/dbraw/zinc/97/14/14/372971414.db2.gz OUBJGUIGGBIISP-ZDUSSCGKSA-N -1 3 296.367 3.091 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2Cc3ccccc3C[C@@H]2C)c1 ZINC000172789298 373036021 /nfs/dbraw/zinc/03/60/21/373036021.db2.gz DZVZHVCUIAHLKA-ZDUSSCGKSA-N -1 3 281.355 3.288 20 0 CGADHM COc1cccc(C(=O)N2[C@H](C)C[C@@H]3CCCC[C@@H]32)c1[O-] ZINC000173050908 373084035 /nfs/dbraw/zinc/08/40/35/373084035.db2.gz POCYXZIPRYUUKA-DYEKYZERSA-N -1 3 289.375 3.194 20 0 CGADHM COc1cc(C(=O)Nc2ccc(Cl)cc2[O-])ccc1O ZINC000442824881 373097147 /nfs/dbraw/zinc/09/71/47/373097147.db2.gz UIBOFZOVDQYTKG-UHFFFAOYSA-N -1 3 293.706 3.012 20 0 CGADHM CC(C)ON=C([O-])Nc1ccc(F)c(C(F)(F)F)c1 ZINC000296542359 373172223 /nfs/dbraw/zinc/17/22/23/373172223.db2.gz SGVUWWCWJUKWDC-UHFFFAOYSA-N -1 3 280.221 3.306 20 0 CGADHM CC(C)O[N-]C(=O)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000296542359 373172231 /nfs/dbraw/zinc/17/22/31/373172231.db2.gz SGVUWWCWJUKWDC-UHFFFAOYSA-N -1 3 280.221 3.306 20 0 CGADHM Cc1cc2occ(C(=O)Nc3ncccc3[O-])c2cc1C ZINC000353562728 220160228 /nfs/dbraw/zinc/16/02/28/220160228.db2.gz PPTDGWHNUAKXEY-UHFFFAOYSA-N -1 3 282.299 3.403 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CCC[C@H](C(C)C)C2)c1 ZINC000444524062 373196327 /nfs/dbraw/zinc/19/63/27/373196327.db2.gz PAZCMDFHORFIMR-AWEZNQCLSA-N -1 3 275.392 3.463 20 0 CGADHM [O-]C(=NOCC1CC1)Nc1nc2c(s1)CCCCCC2 ZINC000296645109 373205541 /nfs/dbraw/zinc/20/55/41/373205541.db2.gz DTNJFMXZLVOXQY-UHFFFAOYSA-N -1 3 295.408 3.265 20 0 CGADHM O=C([N-]OCC1CC1)Nc1nc2c(s1)CCCCCC2 ZINC000296645109 373205549 /nfs/dbraw/zinc/20/55/49/373205549.db2.gz DTNJFMXZLVOXQY-UHFFFAOYSA-N -1 3 295.408 3.265 20 0 CGADHM CSc1ccccc1[N-]C(=O)c1ccc(C(C)=O)o1 ZINC000445255769 373306707 /nfs/dbraw/zinc/30/67/07/373306707.db2.gz UVQWUBKYHAEXOG-UHFFFAOYSA-N -1 3 275.329 3.456 20 0 CGADHM CC[C@]1(C)CCCN(C(=O)c2cc(OC)ccc2[O-])C1 ZINC000174751671 373361356 /nfs/dbraw/zinc/36/13/56/373361356.db2.gz PCSCQVCWICJDTA-MRXNPFEDSA-N -1 3 277.364 3.053 20 0 CGADHM Cc1ccc(C(=O)N2CCS[C@H]3CCCC[C@H]32)c([O-])c1 ZINC000175403220 373463438 /nfs/dbraw/zinc/46/34/38/373463438.db2.gz PCUGBIZGXWQGOU-HIFRSBDPSA-N -1 3 291.416 3.201 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)N2CC(C)(C)CC(C)(C)C2)n1 ZINC000447876686 373510218 /nfs/dbraw/zinc/51/02/18/373510218.db2.gz AZNWVPBLBQJHAN-GFCCVEGCSA-N -1 3 277.412 3.310 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N2CC(C)(C)CC(C)(C)C2)n1 ZINC000447876687 373510309 /nfs/dbraw/zinc/51/03/09/373510309.db2.gz AZNWVPBLBQJHAN-LBPRGKRZSA-N -1 3 277.412 3.310 20 0 CGADHM C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)c1ccccc1[O-] ZINC000175764024 373516230 /nfs/dbraw/zinc/51/62/30/373516230.db2.gz FPKRXXFUKPXOEY-HIFRSBDPSA-N -1 3 281.355 3.410 20 0 CGADHM CCCN(CC(F)F)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000299526365 373561058 /nfs/dbraw/zinc/56/10/58/373561058.db2.gz YAOUGLZINGDPER-UHFFFAOYSA-N -1 3 294.301 3.058 20 0 CGADHM C[C@@H]1CCCN(Cc2cc(F)ccc2Cl)[C@H]1C(=O)[O-] ZINC000300271030 373621694 /nfs/dbraw/zinc/62/16/94/373621694.db2.gz HYXORIFMIFFZGW-NOZJJQNGSA-N -1 3 285.746 3.164 20 0 CGADHM CCC[C@H]1CCC[C@@H]1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000448620171 373627243 /nfs/dbraw/zinc/62/72/43/373627243.db2.gz BUKJMOZFJZQHGF-FZMZJTMJSA-N -1 3 299.378 3.022 20 0 CGADHM CCC[C@H]1CCC[C@@H]1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000448620171 373627249 /nfs/dbraw/zinc/62/72/49/373627249.db2.gz BUKJMOZFJZQHGF-FZMZJTMJSA-N -1 3 299.378 3.022 20 0 CGADHM O=c1nc(CNC2(c3ccccc3)CC2)[n-]c2ccsc21 ZINC000299691363 373600084 /nfs/dbraw/zinc/60/00/84/373600084.db2.gz NURKIEMAMKBUAC-UHFFFAOYSA-N -1 3 297.383 3.176 20 0 CGADHM CC(C)c1noc([N-]Cc2cc3ccccc3[nH]2)n1 ZINC000301305100 373739042 /nfs/dbraw/zinc/73/90/42/373739042.db2.gz XXRMAASIUONOAT-UHFFFAOYSA-N -1 3 256.309 3.286 20 0 CGADHM Cc1cccc([O-])c1NC(=O)CCc1ccc(F)cc1 ZINC000179557759 373888515 /nfs/dbraw/zinc/88/85/15/373888515.db2.gz YNLBRSBLUHNHNW-UHFFFAOYSA-N -1 3 273.307 3.411 20 0 CGADHM CCOCc1ccccc1CNC(=O)c1cccc(C)c1[O-] ZINC000302926390 374005764 /nfs/dbraw/zinc/00/57/64/374005764.db2.gz BUHDBQLZWAKKGV-UHFFFAOYSA-N -1 3 299.370 3.167 20 0 CGADHM COc1cc(CN=c2[n-]c(C(C)=O)c(C)s2)ccc1C ZINC000450272335 374032767 /nfs/dbraw/zinc/03/27/67/374032767.db2.gz BGLLQHLMGYQYBH-UHFFFAOYSA-N -1 3 290.388 3.005 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)N1CCCC12CCCCC2 ZINC000450276717 374035813 /nfs/dbraw/zinc/03/58/13/374035813.db2.gz JSAQETNDZLAUCC-UHFFFAOYSA-N -1 3 291.366 3.399 20 0 CGADHM O=C(Cc1ccc([O-])cc1Cl)N[C@@H]1CC12CCCCC2 ZINC000181487586 374131247 /nfs/dbraw/zinc/13/12/47/374131247.db2.gz MZZPGDZPFPCAEB-CQSZACIVSA-N -1 3 293.794 3.427 20 0 CGADHM CC(C)c1cnc(C[N-]c2nc(C3CC3)no2)s1 ZINC000181723925 374160666 /nfs/dbraw/zinc/16/06/66/374160666.db2.gz KTZMOOAOLHWUJO-UHFFFAOYSA-N -1 3 264.354 3.139 20 0 CGADHM CC1(C)CCC[C@@H]1CNC(=O)Cc1ccc([O-])c(F)c1 ZINC000452153917 374252742 /nfs/dbraw/zinc/25/27/42/374252742.db2.gz HCKQSWRQUQTFFH-GFCCVEGCSA-N -1 3 279.355 3.016 20 0 CGADHM O=C(NC[C@@H](c1ccccc1)C1CC1)c1c([O-])cccc1O ZINC000452160699 374258409 /nfs/dbraw/zinc/25/84/09/374258409.db2.gz MTNSYBMLFXZBJL-AWEZNQCLSA-N -1 3 297.354 3.021 20 0 CGADHM C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)c2ccccc2[O-])C1 ZINC000182227574 374241465 /nfs/dbraw/zinc/24/14/65/374241465.db2.gz AOFHKDKCRNMDSF-DOMZBBRYSA-N -1 3 282.343 3.011 20 0 CGADHM CCc1onc(C)c1[N-]C(=O)c1sccc1COC ZINC000182784609 374326108 /nfs/dbraw/zinc/32/61/08/374326108.db2.gz PJXMFACHCPOHFZ-UHFFFAOYSA-N -1 3 280.349 3.006 20 0 CGADHM Cc1cccc([O-])c1NC(=O)c1csc(C2CC2)n1 ZINC000183058687 374365264 /nfs/dbraw/zinc/36/52/64/374365264.db2.gz IOMXBDLZYWZNHF-UHFFFAOYSA-N -1 3 274.345 3.287 20 0 CGADHM CCCc1cnc(NC(=O)c2cccc([O-])c2)s1 ZINC000182995752 374353558 /nfs/dbraw/zinc/35/35/58/374353558.db2.gz LRYFDSQJJDPKRP-UHFFFAOYSA-N -1 3 262.334 3.054 20 0 CGADHM Cc1c(C(=O)Nc2ccc([O-])cc2F)cnn1C(C)(C)C ZINC000183242265 374390524 /nfs/dbraw/zinc/39/05/24/374390524.db2.gz BGQMGWAXDPVZFY-UHFFFAOYSA-N -1 3 291.326 3.044 20 0 CGADHM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1cnc(C)cn1 ZINC000183368113 374406455 /nfs/dbraw/zinc/40/64/55/374406455.db2.gz YFKTVUAOTYVOQJ-UHFFFAOYSA-N -1 3 294.314 3.001 20 0 CGADHM CC(C)(C)c1ccc(NC(=O)CC[C@H]2CCOC2)c([O-])c1 ZINC000330386713 374456997 /nfs/dbraw/zinc/45/69/97/374456997.db2.gz BCXUUZXNYQFKRO-LBPRGKRZSA-N -1 3 291.391 3.445 20 0 CGADHM CCO[C@H](C)C(=O)[N-]c1onc(C2CCCCC2)c1C ZINC000331099400 374504854 /nfs/dbraw/zinc/50/48/54/374504854.db2.gz CFFKNXFFDJYTDF-LLVKDONJSA-N -1 3 280.368 3.394 20 0 CGADHM COc1ccc(NC(=O)C(C)(C)CC(C)C)c([O-])c1 ZINC000331292485 374520621 /nfs/dbraw/zinc/52/06/21/374520621.db2.gz QHQJMTIDZWBHDV-UHFFFAOYSA-N -1 3 265.353 3.412 20 0 CGADHM CCc1onc(C)c1[N-]C(=O)c1coc(Br)c1 ZINC000089393552 541951459 /nfs/dbraw/zinc/95/14/59/541951459.db2.gz HYSORAGKGRJWLC-UHFFFAOYSA-N -1 3 299.124 3.153 20 0 CGADHM Cc1ccc(-c2nc(C3(N)CCCCC3)no2)c([O-])c1C ZINC000331583354 374544763 /nfs/dbraw/zinc/54/47/63/374544763.db2.gz AKZODLCONWCDGA-UHFFFAOYSA-N -1 3 287.363 3.177 20 0 CGADHM Cc1ccc2c(CS[C@H](C)[C@@H](C)O)ccc([O-])c2n1 ZINC000332729189 374591143 /nfs/dbraw/zinc/59/11/43/374591143.db2.gz QXFQIGAJGHXPKQ-GHMZBOCLSA-N -1 3 277.389 3.251 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])c1ccnn1C1CCCC1 ZINC000334226873 206219679 /nfs/dbraw/zinc/21/96/79/206219679.db2.gz FWOWIRWRNPQGHP-UHFFFAOYSA-N -1 3 289.310 3.095 20 0 CGADHM CC(=O)c1cc(NC(=O)Nc2ccc([O-])cc2)ccc1F ZINC000334354345 374680302 /nfs/dbraw/zinc/68/03/02/374680302.db2.gz JPXCLNGEWKSPIM-UHFFFAOYSA-N -1 3 288.278 3.378 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)Sc2cccc(O)c2)n1 ZINC000185685198 374714095 /nfs/dbraw/zinc/71/40/95/374714095.db2.gz KILOKTABBLVODJ-VIFPVBQESA-N -1 3 262.334 3.050 20 0 CGADHM C[C@@H]1CC[C@H](NC(=O)NCc2ccc([O-])c(F)c2)C[C@@H]1C ZINC000186261227 374821967 /nfs/dbraw/zinc/82/19/67/374821967.db2.gz SRGCNXBGTDFDNX-MDZLAQPJSA-N -1 3 294.370 3.155 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)[C@@H]2CCC(=O)[C@@H](C)C2)c1[O-] ZINC000334537284 374834351 /nfs/dbraw/zinc/83/43/51/374834351.db2.gz ITPMRDJOCWTQBB-WCBMZHEXSA-N -1 3 295.766 3.298 20 0 CGADHM CCO[N-]C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC000186378283 374841509 /nfs/dbraw/zinc/84/15/09/374841509.db2.gz SVCRQAZWHLEFAA-UHFFFAOYSA-N -1 3 282.649 3.432 20 0 CGADHM CCc1[n-][nH]c(=NC(=O)[C@H](C)c2cccc(Cl)c2)c1C ZINC000465429467 374947305 /nfs/dbraw/zinc/94/73/05/374947305.db2.gz NYPBIMLYXVOGFD-SECBINFHSA-N -1 3 291.782 3.098 20 0 CGADHM Cc1cc(F)ccc1C[S@](=O)c1ccc([O-])cc1 ZINC000187067296 374965807 /nfs/dbraw/zinc/96/58/07/374965807.db2.gz ISMVXURKWJJGML-SFHVURJKSA-N -1 3 264.321 3.148 20 0 CGADHM CCc1onc(C)c1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000334618987 374911060 /nfs/dbraw/zinc/91/10/60/374911060.db2.gz JKJAULRVKGPIMU-UHFFFAOYSA-N -1 3 280.711 3.157 20 0 CGADHM Cc1ccc(C(=O)N2CCC[C@@H]2c2cccnc2)c([O-])c1C ZINC000334699392 374986428 /nfs/dbraw/zinc/98/64/28/374986428.db2.gz FBXJOMHHBNAZIG-MRXNPFEDSA-N -1 3 296.370 3.381 20 0 CGADHM CCCCNC(=O)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000187286568 374998394 /nfs/dbraw/zinc/99/83/94/374998394.db2.gz GLEOFOCXKNDAMJ-UHFFFAOYSA-N -1 3 283.784 3.322 20 0 CGADHM C[C@H]1C[C@H](C)N1C(=O)c1cc([O-])ccc1C(F)(F)F ZINC000334947698 375046045 /nfs/dbraw/zinc/04/60/45/375046045.db2.gz NGNJUFSBGCDHMB-YUMQZZPRSA-N -1 3 273.254 3.034 20 0 CGADHM Cc1ccc([O-])c(C(=O)N(C)c2ccc3cc[nH]c3c2)c1 ZINC000473577737 375054668 /nfs/dbraw/zinc/05/46/68/375054668.db2.gz OVVSKEYPLPUEIL-UHFFFAOYSA-N -1 3 280.327 3.459 20 0 CGADHM C[C@H]1C[C@@H](C(=O)[O-])CN(Cc2cc(F)ccc2Cl)C1 ZINC000335152401 375180126 /nfs/dbraw/zinc/18/01/26/375180126.db2.gz QNXFHGXLHRWWQW-GXSJLCMTSA-N -1 3 285.746 3.022 20 0 CGADHM CCCCN(C(=O)c1cccc2nn[n-]c21)c1ccccc1 ZINC000188319474 375196634 /nfs/dbraw/zinc/19/66/34/375196634.db2.gz OOMJDUKCQMQITR-UHFFFAOYSA-N -1 3 294.358 3.405 20 0 CGADHM CCCCN(C(=O)c1cccc2[n-]nnc21)c1ccccc1 ZINC000188319474 375196640 /nfs/dbraw/zinc/19/66/40/375196640.db2.gz OOMJDUKCQMQITR-UHFFFAOYSA-N -1 3 294.358 3.405 20 0 CGADHM CCCCN(C(=O)c1cccc2n[n-]nc21)c1ccccc1 ZINC000188319474 375196645 /nfs/dbraw/zinc/19/66/45/375196645.db2.gz OOMJDUKCQMQITR-UHFFFAOYSA-N -1 3 294.358 3.405 20 0 CGADHM COc1ccc2[nH]c(C(=O)Nc3c(C)cccc3[O-])cc2c1 ZINC000188969362 375302325 /nfs/dbraw/zinc/30/23/25/375302325.db2.gz UFGQUSFHXKLZAF-UHFFFAOYSA-N -1 3 296.326 3.443 20 0 CGADHM CCc1cc(C(=O)NC[C@@H]2CC[C@@H](C)C2)ccc1[O-] ZINC000487598448 375261749 /nfs/dbraw/zinc/26/17/49/375261749.db2.gz SLJYYKZZHLMDEB-VXGBXAGGSA-N -1 3 261.365 3.121 20 0 CGADHM CCc1cc(C(=O)N(C)[C@H]2CC[C@H](C)C2)ccc1[O-] ZINC000487653169 375265093 /nfs/dbraw/zinc/26/50/93/375265093.db2.gz KEANHUBWUWPOJI-FZMZJTMJSA-N -1 3 261.365 3.215 20 0 CGADHM COc1ccc(NC(=O)/C=C\c2ccccc2)c([O-])c1 ZINC000492000960 375391326 /nfs/dbraw/zinc/39/13/26/375391326.db2.gz MMWWKCLVOUXTAC-YFHOEESVSA-N -1 3 269.300 3.053 20 0 CGADHM O=[S@@](C[C@@H]1CCCC(F)(F)C1)c1ccc([O-])cc1 ZINC000335921972 375542237 /nfs/dbraw/zinc/54/22/37/375542237.db2.gz MXFJIZWKZGLKFF-MGNBDDOMSA-N -1 3 274.332 3.325 20 0 CGADHM CCc1ccc(C(=O)N2[C@H](C)CCC[C@H]2C)c([O-])c1 ZINC000191072003 375570904 /nfs/dbraw/zinc/57/09/04/375570904.db2.gz RVBKZXFHUMEWPX-VXGBXAGGSA-N -1 3 261.365 3.358 20 0 CGADHM Cc1conc1[N-]C(=O)c1cc2cccc(F)c2o1 ZINC000123353158 542027665 /nfs/dbraw/zinc/02/76/65/542027665.db2.gz CQGFCAQSAULIAT-UHFFFAOYSA-N -1 3 260.224 3.121 20 0 CGADHM O=C([N-]c1ccsc1)c1scnc1C(F)(F)F ZINC000336157007 375734341 /nfs/dbraw/zinc/73/43/41/375734341.db2.gz PTOYYMVCXSCWGV-UHFFFAOYSA-N -1 3 278.280 3.476 20 0 CGADHM Cc1ccc([C@@H](C)N[C@H](C)c2nc(C)cc(=O)[n-]2)cc1 ZINC000192724123 375783760 /nfs/dbraw/zinc/78/37/60/375783760.db2.gz HIWDERRSPYPDQP-CHWSQXEVSA-N -1 3 271.364 3.211 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)N(C)CC2CCCCC2)n1 ZINC000192524629 375761327 /nfs/dbraw/zinc/76/13/27/375761327.db2.gz KKTNWHJWQSWVKS-GFCCVEGCSA-N -1 3 263.385 3.064 20 0 CGADHM C[C@@H](C(=O)[O-])N(Cc1cc2ccccc2o1)C1CCC1 ZINC000516665057 375821748 /nfs/dbraw/zinc/82/17/48/375821748.db2.gz SBAXGAZZVIXPNL-NSHDSACASA-N -1 3 273.332 3.260 20 0 CGADHM Cc1c2ccccc2nc(CN(C)CC2CC2)c1C(=O)[O-] ZINC000519554912 375845329 /nfs/dbraw/zinc/84/53/29/375845329.db2.gz WUTQVBXGEPAMBR-UHFFFAOYSA-N -1 3 284.359 3.083 20 0 CGADHM CC(C)c1ccc([C@@H](NC(=O)c2c[n-]nn2)C(C)C)cc1 ZINC000193474216 375883218 /nfs/dbraw/zinc/88/32/18/375883218.db2.gz YFXOOIZGIDMGFJ-HNNXBMFYSA-N -1 3 286.379 3.055 20 0 CGADHM CC(C)c1ccc([C@@H](NC(=O)c2cnn[n-]2)C(C)C)cc1 ZINC000193474216 375883225 /nfs/dbraw/zinc/88/32/25/375883225.db2.gz YFXOOIZGIDMGFJ-HNNXBMFYSA-N -1 3 286.379 3.055 20 0 CGADHM CC(C)c1ccc([C@@H](NC(=O)c2cn[n-]n2)C(C)C)cc1 ZINC000193474216 375883230 /nfs/dbraw/zinc/88/32/30/375883230.db2.gz YFXOOIZGIDMGFJ-HNNXBMFYSA-N -1 3 286.379 3.055 20 0 CGADHM O=C(Nc1ccccc1[O-])c1cccc([C@H]2CCOC2)c1 ZINC000336632028 375891820 /nfs/dbraw/zinc/89/18/20/375891820.db2.gz AGPWQQADYLXMCN-AWEZNQCLSA-N -1 3 283.327 3.148 20 0 CGADHM COC(=O)c1cnc(S[C@H](C)c2ccccc2C)[n-]1 ZINC000193542844 375892353 /nfs/dbraw/zinc/89/23/53/375892353.db2.gz DHKDCEKTRCLTCK-SNVBAGLBSA-N -1 3 276.361 3.358 20 0 CGADHM CC(C)C[C@H](C)[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000535145098 376027967 /nfs/dbraw/zinc/02/79/67/376027967.db2.gz ZRUMBWZEPHBTOI-VIFPVBQESA-N -1 3 293.791 3.192 20 0 CGADHM [O-]c1cccc(CNCc2ccc3c(c2)OCO3)c1Cl ZINC000336908167 376030219 /nfs/dbraw/zinc/03/02/19/376030219.db2.gz ZQRAWAFPDAINLW-UHFFFAOYSA-N -1 3 291.734 3.064 20 0 CGADHM Cc1nc([N-]C(=O)c2cnc([C@H]3CCCO3)s2)cs1 ZINC000535728383 376051615 /nfs/dbraw/zinc/05/16/15/376051615.db2.gz HWTPUNVFFOKUOH-MRVPVSSYSA-N -1 3 295.389 3.012 20 0 CGADHM C[C@@H](c1ccccc1F)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000086809992 296239355 /nfs/dbraw/zinc/23/93/55/296239355.db2.gz XVSKFVJNFNFWHB-QWHCGFSZSA-N -1 3 279.355 3.464 20 0 CGADHM CCc1ccc(NC(=O)c2ccc3n[n-]nc3c2)cc1CC ZINC000537179191 376150547 /nfs/dbraw/zinc/15/05/47/376150547.db2.gz WORNYHHGVNPJJO-UHFFFAOYSA-N -1 3 294.358 3.335 20 0 CGADHM C[C@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1ccccc1 ZINC000337254773 376168033 /nfs/dbraw/zinc/16/80/33/376168033.db2.gz QPXKTRWNTNMPBX-LBPRGKRZSA-N -1 3 292.338 3.019 20 0 CGADHM CCCn1c(SCCCC(C)(C)C)n[n-]c1=O ZINC000537466706 376170119 /nfs/dbraw/zinc/17/01/19/376170119.db2.gz DSKASCDGDRXYKD-UHFFFAOYSA-N -1 3 257.403 3.312 20 0 CGADHM CSc1ccc(Cl)c(C(=O)Nc2ncccc2[O-])c1 ZINC000198819119 376122493 /nfs/dbraw/zinc/12/24/93/376122493.db2.gz FLDAQDNHUUYOSS-UHFFFAOYSA-N -1 3 294.763 3.415 20 0 CGADHM CCc1ccc([O-])c(C(=O)N(CC(C)C)C2CC2)c1 ZINC000536690825 376124564 /nfs/dbraw/zinc/12/45/64/376124564.db2.gz BZEOWTKURAXBFD-UHFFFAOYSA-N -1 3 261.365 3.215 20 0 CGADHM Cc1cccc([O-])c1NC(=O)c1ccc(C2CC2)cn1 ZINC000539815267 376332723 /nfs/dbraw/zinc/33/27/23/376332723.db2.gz RNYLNJGNAANPQA-UHFFFAOYSA-N -1 3 268.316 3.225 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2cccc3c[nH]nc32)c1 ZINC000539845682 376341691 /nfs/dbraw/zinc/34/16/91/376341691.db2.gz GDDOIDPVHJABRM-UHFFFAOYSA-N -1 3 281.315 3.083 20 0 CGADHM CCC(C)(C)C(=O)N=c1cc(-c2ccccc2C)[n-][nH]1 ZINC000539322698 376303910 /nfs/dbraw/zinc/30/39/10/376303910.db2.gz IBLDVLWKWYEYIK-UHFFFAOYSA-N -1 3 271.364 3.182 20 0 CGADHM CC(C)[C@H](Cc1ccccc1)C(=O)Nc1ncccc1[O-] ZINC000541238173 376428907 /nfs/dbraw/zinc/42/89/07/376428907.db2.gz QQNMOUYKRJPYPI-AWEZNQCLSA-N -1 3 284.359 3.241 20 0 CGADHM CC[C@H]1CCCN(Cc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000234068035 376609769 /nfs/dbraw/zinc/60/97/69/376609769.db2.gz XVYBBQSRZXOGIH-NSHDSACASA-N -1 3 265.328 3.146 20 0 CGADHM C[C@@H]1CCCCN1C(=O)c1cc([O-])ccc1Cl ZINC000235238229 376636312 /nfs/dbraw/zinc/63/63/12/376636312.db2.gz MSEPBVUTGYPQKH-SECBINFHSA-N -1 3 253.729 3.060 20 0 CGADHM CCc1cccc(C(=O)N(C)C[C@H]2CC=CCC2)c1[O-] ZINC000544305007 376719583 /nfs/dbraw/zinc/71/95/83/376719583.db2.gz COUWYHISQWPZBY-ZDUSSCGKSA-N -1 3 273.376 3.383 20 0 CGADHM O=C(NCCc1ccsc1)c1cc([O-])ccc1Cl ZINC000236613628 376672473 /nfs/dbraw/zinc/67/24/73/376672473.db2.gz JMKHBFPYZOKKID-UHFFFAOYSA-N -1 3 281.764 3.080 20 0 CGADHM COc1ccc(NC(=O)[C@@H](C)c2ccsc2)c([O-])c1 ZINC000135416955 542086998 /nfs/dbraw/zinc/08/69/98/542086998.db2.gz VWBQAZOMBFTKFX-VIFPVBQESA-N -1 3 277.345 3.205 20 0 CGADHM COc1ccc(NC(=O)c2cc(F)c(C)cc2F)c([O-])c1 ZINC000135432552 542087738 /nfs/dbraw/zinc/08/77/38/542087738.db2.gz RJSZQQMNCWKJQW-UHFFFAOYSA-N -1 3 293.269 3.240 20 0 CGADHM CCC(C)(CC)C(=O)Nc1nnc(-c2ccc(C)o2)[n-]1 ZINC000139542766 542095103 /nfs/dbraw/zinc/09/51/03/542095103.db2.gz ROYYEEJOOIWRFT-UHFFFAOYSA-N -1 3 276.340 3.138 20 0 CGADHM CCC(C)(CC)C(=O)Nc1nc(-c2ccc(C)o2)n[n-]1 ZINC000139542766 542095107 /nfs/dbraw/zinc/09/51/07/542095107.db2.gz ROYYEEJOOIWRFT-UHFFFAOYSA-N -1 3 276.340 3.138 20 0 CGADHM CCC(C)(CC)C(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC000139542766 542095110 /nfs/dbraw/zinc/09/51/10/542095110.db2.gz ROYYEEJOOIWRFT-UHFFFAOYSA-N -1 3 276.340 3.138 20 0 CGADHM CC[C@@H](C(=O)N=c1cc2ccccn2[n-]1)c1ccc(F)cc1 ZINC000557528144 376942421 /nfs/dbraw/zinc/94/24/21/376942421.db2.gz HVRSXRVCQBXVNP-OAHLLOKOSA-N -1 3 297.333 3.028 20 0 CGADHM CSc1nnc(NC(=O)C[C@H]2C[C@H](C)CC(C)(C)C2)[n-]1 ZINC000340263362 376970400 /nfs/dbraw/zinc/97/04/00/376970400.db2.gz PGDYIAXJKJPHQG-VHSXEESVSA-N -1 3 296.440 3.318 20 0 CGADHM CSc1n[n-]c(NC(=O)C[C@H]2C[C@H](C)CC(C)(C)C2)n1 ZINC000340263362 376970408 /nfs/dbraw/zinc/97/04/08/376970408.db2.gz PGDYIAXJKJPHQG-VHSXEESVSA-N -1 3 296.440 3.318 20 0 CGADHM CSc1nc(NC(=O)C[C@H]2C[C@H](C)CC(C)(C)C2)n[n-]1 ZINC000340263362 376970413 /nfs/dbraw/zinc/97/04/13/376970413.db2.gz PGDYIAXJKJPHQG-VHSXEESVSA-N -1 3 296.440 3.318 20 0 CGADHM Cc1ccncc1C(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000340315838 376997224 /nfs/dbraw/zinc/99/72/24/376997224.db2.gz RDANECVSFQMIDQ-UHFFFAOYSA-N -1 3 296.248 3.367 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)CN2[C@@H](C)CC[C@@H]2C)c1[O-] ZINC000340325644 377003368 /nfs/dbraw/zinc/00/33/68/377003368.db2.gz XLVDVALETPXKRV-QWRGUYRKSA-N -1 3 296.798 3.165 20 0 CGADHM CCCOc1ccc(C=Cc2nc(C)cc(=O)[n-]2)cc1 ZINC000558451366 377009656 /nfs/dbraw/zinc/00/96/56/377009656.db2.gz RQEITIUMSMMOKS-RMKNXTFCSA-N -1 3 270.332 3.450 20 0 CGADHM O=C(CCC1CCCCC1)N=c1cc2ccccn2[n-]1 ZINC000561157459 377210823 /nfs/dbraw/zinc/21/08/23/377210823.db2.gz NIOHLFPCOWKAKF-UHFFFAOYSA-N -1 3 271.364 3.055 20 0 CGADHM Cc1n[nH]c(C)c1[C@@H](C)CC(=O)Nc1cccc([O-])c1F ZINC000562823402 377363978 /nfs/dbraw/zinc/36/39/78/377363978.db2.gz JCLBLAPCEDTLSA-QMMMGPOBSA-N -1 3 291.326 3.004 20 0 CGADHM O=C([O-])CCCCCN(Cc1ccccc1F)C1CC1 ZINC000563278115 377431543 /nfs/dbraw/zinc/43/15/43/377431543.db2.gz PBKBTXNTOHKUGM-UHFFFAOYSA-N -1 3 279.355 3.435 20 0 CGADHM CCSCC[C@@H](C)N(C)Cc1cc(C)c(C(=O)[O-])o1 ZINC000563285067 377437128 /nfs/dbraw/zinc/43/71/28/377437128.db2.gz WMZAASAYLIKORF-LLVKDONJSA-N -1 3 285.409 3.250 20 0 CGADHM COc1cc(NC(=O)c2cccc([O-])c2)cc2cccnc21 ZINC000341218536 377451190 /nfs/dbraw/zinc/45/11/90/377451190.db2.gz JBAPDXXVCMECSU-UHFFFAOYSA-N -1 3 294.310 3.201 20 0 CGADHM Cc1ccn(-c2ccc(NCc3nc(C)ccc3[O-])cc2)n1 ZINC000341226356 377455869 /nfs/dbraw/zinc/45/58/69/377455869.db2.gz HMCPZDKVYQGKIJ-UHFFFAOYSA-N -1 3 294.358 3.202 20 0 CGADHM Cc1cccc(C(=O)N2CCCC(C)(C)CC2)c1[O-] ZINC000087658497 249024397 /nfs/dbraw/zinc/02/43/97/249024397.db2.gz MSHGKAZABSYMHG-UHFFFAOYSA-N -1 3 261.365 3.353 20 0 CGADHM Cc1ccc([O-])c(C(=O)N[C@H](C)CC(=O)c2ccccc2)c1 ZINC000092600020 249034157 /nfs/dbraw/zinc/03/41/57/249034157.db2.gz GRXVSFVAWFMMLA-CYBMUJFWSA-N -1 3 297.354 3.092 20 0 CGADHM Cc1ccc(C(=O)NC2CCC(OC(C)C)CC2)c([O-])c1 ZINC000162862783 542166695 /nfs/dbraw/zinc/16/66/95/542166695.db2.gz KUATTXVFPHTHGF-UHFFFAOYSA-N -1 3 291.391 3.167 20 0 CGADHM COc1ccnc([N-]c2cn(CC(C)C)nc2C(F)F)n1 ZINC000341335180 377512655 /nfs/dbraw/zinc/51/26/55/377512655.db2.gz NMWIEFHTIJAHQI-UHFFFAOYSA-N -1 3 297.309 3.019 20 0 CGADHM O=c1cc(CNc2cc(F)c(F)cc2F)nc(C2CC2)[n-]1 ZINC000417036807 249124828 /nfs/dbraw/zinc/12/48/28/249124828.db2.gz SPOILPJBFWOYRH-UHFFFAOYSA-N -1 3 295.264 3.089 20 0 CGADHM CC1=CCCN(Cc2cccc([O-])c2Br)C1 ZINC000459518908 249154117 /nfs/dbraw/zinc/15/41/17/249154117.db2.gz BLGYFDOSZUJRGT-UHFFFAOYSA-N -1 3 282.181 3.307 20 0 CGADHM CC[C@H]1CCCN([C@H](C)c2cc(C)c(C(=O)[O-])o2)C1 ZINC000515067965 249200398 /nfs/dbraw/zinc/20/03/98/249200398.db2.gz LSPAEQZAOMEDSD-NEPJUHHUSA-N -1 3 265.353 3.469 20 0 CGADHM C[C@@H](C(=O)Nc1c([O-])cccc1Cl)C(C)(F)F ZINC000516490555 249234743 /nfs/dbraw/zinc/23/47/43/249234743.db2.gz UMHBZRBSGGUENU-LURJTMIESA-N -1 3 263.671 3.275 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)c2ccn(C(C)C)n2)c1[O-] ZINC000265475027 190184986 /nfs/dbraw/zinc/18/49/86/190184986.db2.gz ZXPRWPFYFWIYKE-UHFFFAOYSA-N -1 3 293.754 3.384 20 0 CGADHM CCc1cncc(C(=O)Nc2ccc(Cl)cc2[O-])c1 ZINC000518074324 249276123 /nfs/dbraw/zinc/27/61/23/249276123.db2.gz WJRLUPMBZINZER-UHFFFAOYSA-N -1 3 276.723 3.255 20 0 CGADHM CCO[C@@H]1C[C@@H]([N@H+](C)Cc2ncccc2[O-])C1(CC)CC ZINC000516962760 249251494 /nfs/dbraw/zinc/25/14/94/249251494.db2.gz GRSJENVPXJAVMW-HZPDHXFCSA-N -1 3 292.423 3.203 20 0 CGADHM CCO[C@@H]1C[C@@H](N(C)Cc2ncccc2[O-])C1(CC)CC ZINC000516962760 249251498 /nfs/dbraw/zinc/25/14/98/249251498.db2.gz GRSJENVPXJAVMW-HZPDHXFCSA-N -1 3 292.423 3.203 20 0 CGADHM C[C@@H]1CCC[C@H](NC(=O)c2c[n-]c3ccccc3c2=O)[C@H]1C ZINC000253613151 377704325 /nfs/dbraw/zinc/70/43/25/377704325.db2.gz PXCMVLFTMYGTKR-XUJVJEKNSA-N -1 3 298.386 3.495 20 0 CGADHM CCC[C@@H](C)S(=O)(=O)[N-]c1cccc2c1ccn2C ZINC000574815299 377713314 /nfs/dbraw/zinc/71/33/14/377713314.db2.gz UXDXEMZMHRAXBZ-LLVKDONJSA-N -1 3 280.393 3.109 20 0 CGADHM C[C@H](CN(C)[C@@H](C)c1ncc(-c2ccccc2)o1)C(=O)[O-] ZINC000574921544 377724981 /nfs/dbraw/zinc/72/49/81/377724981.db2.gz DTYCZAFUKLYQBF-NEPJUHHUSA-N -1 3 288.347 3.055 20 0 CGADHM C[C@H](c1c(F)cccc1F)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000262058316 377885321 /nfs/dbraw/zinc/88/53/21/377885321.db2.gz BGZBSSKHMJUIBJ-OHUAYANFSA-N -1 3 295.329 3.213 20 0 CGADHM C[C@@H]1C[C@@H](C(=O)[O-])CN(C/C=C/c2ccc(F)cc2F)C1 ZINC000263105061 377919826 /nfs/dbraw/zinc/91/98/26/377919826.db2.gz XPMOTTVCWFXRTC-FTYDKLPRSA-N -1 3 295.329 3.021 20 0 CGADHM O=C([O-])[C@@H]1CCCN(Cc2ccc(-c3ccccc3)o2)C1 ZINC000263415361 377933634 /nfs/dbraw/zinc/93/36/34/377933634.db2.gz MYVSOZXEBLXTPB-CQSZACIVSA-N -1 3 285.343 3.243 20 0 CGADHM CCN(Cc1ccc(C(=O)[O-])cc1)[C@@H](C)c1cccnc1 ZINC000263439182 377938178 /nfs/dbraw/zinc/93/81/78/377938178.db2.gz VRGZSKYJKOJTEV-ZDUSSCGKSA-N -1 3 284.359 3.363 20 0 CGADHM COc1ccc(CN(C)Cc2cccc(C(=O)[O-])c2)cc1C ZINC000263478506 377940929 /nfs/dbraw/zinc/94/09/29/377940929.db2.gz NHDIXPQEGTVDIQ-UHFFFAOYSA-N -1 3 299.370 3.334 20 0 CGADHM CC(C)(C)[C@@H]1CCCN1Cc1nc(=O)c2sccc2[n-]1 ZINC000264181334 377961001 /nfs/dbraw/zinc/96/10/01/377961001.db2.gz KFTHYKNWBXGCNF-NSHDSACASA-N -1 3 291.420 3.407 20 0 CGADHM Cc1oc([C@H](C)N(C)CCC2CCOCC2)cc1C(=O)[O-] ZINC000579364686 378154215 /nfs/dbraw/zinc/15/42/15/378154215.db2.gz TYLDULVKZFGJFJ-NSHDSACASA-N -1 3 295.379 3.096 20 0 CGADHM CO[C@@H]1CCC[C@H](C(=O)Nc2cc(Cl)cc(C)c2[O-])C1 ZINC000343928356 378135318 /nfs/dbraw/zinc/13/53/18/378135318.db2.gz MECXFWWWEWNUAY-CMPLNLGQSA-N -1 3 297.782 3.498 20 0 CGADHM Cc1cc(CN(C)CCc2ccc(F)cc2)oc1C(=O)[O-] ZINC000578660709 378090726 /nfs/dbraw/zinc/09/07/26/378090726.db2.gz RLUFZHUMORJASA-UHFFFAOYSA-N -1 3 291.322 3.100 20 0 CGADHM Cc1cc([N-]C(=O)c2csc(C3CCCCC3)n2)no1 ZINC000578723813 378094785 /nfs/dbraw/zinc/09/47/85/378094785.db2.gz VWEJEGNDVGLRHJ-UHFFFAOYSA-N -1 3 291.376 3.161 20 0 CGADHM C[C@@H]1CCCN1[C@H](C(=O)[O-])c1cccc(Br)c1 ZINC000579720709 378187049 /nfs/dbraw/zinc/18/70/49/378187049.db2.gz RLZGABGFQHVDLG-SKDRFNHKSA-N -1 3 298.180 3.059 20 0 CGADHM COc1cccc2c1n[n-]c2C(=O)N(C)c1cccc(C)c1 ZINC000345186952 378217187 /nfs/dbraw/zinc/21/71/87/378217187.db2.gz LMLOVYFMUYDWGG-UHFFFAOYSA-N -1 3 295.342 3.157 20 0 CGADHM COc1cccc2c(C(=O)N(C)c3cccc(C)c3)n[n-]c21 ZINC000345186952 378217190 /nfs/dbraw/zinc/21/71/90/378217190.db2.gz LMLOVYFMUYDWGG-UHFFFAOYSA-N -1 3 295.342 3.157 20 0 CGADHM O=C([O-])CCCCN1CC=C(c2ccc(F)cc2)CC1 ZINC000579484503 378166032 /nfs/dbraw/zinc/16/60/32/378166032.db2.gz QFWPTAHUWKTUGM-UHFFFAOYSA-N -1 3 277.339 3.170 20 0 CGADHM CC[C@@H]1CCCN1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000345401979 378277512 /nfs/dbraw/zinc/27/75/12/378277512.db2.gz LZAHOHXUTHOFLN-CYBMUJFWSA-N -1 3 279.355 3.255 20 0 CGADHM C[C@H]1CCN(CCc2c(F)cccc2Cl)C[C@H]1C(=O)[O-] ZINC000580713784 378251177 /nfs/dbraw/zinc/25/11/77/378251177.db2.gz KRUPWALWLOIQBO-CMPLNLGQSA-N -1 3 299.773 3.064 20 0 CGADHM C[C@@H]1Cc2ccccc2CN1Cc1ccsc1C(=O)[O-] ZINC000580778229 378256927 /nfs/dbraw/zinc/25/69/27/378256927.db2.gz GZGQTGNDQBBUKQ-LLVKDONJSA-N -1 3 287.384 3.393 20 0 CGADHM CC1(C)C[C@H]1CNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000345474553 378292161 /nfs/dbraw/zinc/29/21/61/378292161.db2.gz ACFVCGONKUCAPZ-LBPRGKRZSA-N -1 3 279.355 3.016 20 0 CGADHM C[C@@H]1CC[C@H](CCC(=O)Nc2ccc(Cl)cc2[O-])O1 ZINC000270031681 378297375 /nfs/dbraw/zinc/29/73/75/378297375.db2.gz GEMKRRKCLADBOM-MWLCHTKSSA-N -1 3 283.755 3.332 20 0 CGADHM CCCCN(CC)C(=O)c1ccc2[n-]c(OCC)nc2c1 ZINC000345632752 378328766 /nfs/dbraw/zinc/32/87/66/378328766.db2.gz FHAPRXYZVGZKAX-UHFFFAOYSA-N -1 3 289.379 3.224 20 0 CGADHM CCCCN(CC)C(=O)c1ccc2nc(OCC)[n-]c2c1 ZINC000345632752 378328768 /nfs/dbraw/zinc/32/87/68/378328768.db2.gz FHAPRXYZVGZKAX-UHFFFAOYSA-N -1 3 289.379 3.224 20 0 CGADHM C[C@@H](CN(C)Cc1cc(C(=O)[O-])co1)c1ccccc1 ZINC000583758102 378344773 /nfs/dbraw/zinc/34/47/73/378344773.db2.gz TXYOSWLSQHTIEI-LBPRGKRZSA-N -1 3 273.332 3.213 20 0 CGADHM C[C@@H](CN1CCC[C@@H](CC(=O)[O-])C1)c1cc(F)cc(F)c1 ZINC000583919094 378357947 /nfs/dbraw/zinc/35/79/47/378357947.db2.gz PMLXDJZNEMZVFM-RYUDHWBXSA-N -1 3 297.345 3.255 20 0 CGADHM O=C(CC[C@H]1CCCCO1)Nc1ccc(Cl)cc1[O-] ZINC000270017378 378294917 /nfs/dbraw/zinc/29/49/17/378294917.db2.gz DLUYELYBDDSSPA-LLVKDONJSA-N -1 3 283.755 3.333 20 0 CGADHM Cc1ccc2cc(C(=O)Nc3nc(C)ccc3[O-])ccc2n1 ZINC000345929276 378412025 /nfs/dbraw/zinc/41/20/25/378412025.db2.gz OFNQIJXZPFCWFJ-UHFFFAOYSA-N -1 3 293.326 3.205 20 0 CGADHM Cc1ccc([O-])c(NC(=O)CCc2ccccc2Cl)n1 ZINC000345933217 378413369 /nfs/dbraw/zinc/41/33/69/378413369.db2.gz SEUDBXSWDMVDGH-UHFFFAOYSA-N -1 3 290.750 3.320 20 0 CGADHM Cc1ccc([C@@H]2CCCN2C(=O)Cc2cncc([O-])c2)cc1 ZINC000584479752 378388596 /nfs/dbraw/zinc/38/85/96/378388596.db2.gz FPQCPTGZURVPJT-KRWDZBQOSA-N -1 3 296.370 3.002 20 0 CGADHM CCC1(NC(=O)CCCc2ccc([O-])c(F)c2)CCC1 ZINC000346055448 378452224 /nfs/dbraw/zinc/45/22/24/378452224.db2.gz MIDMBVUUDOCWHE-UHFFFAOYSA-N -1 3 279.355 3.303 20 0 CGADHM Cc1cc([N-]C(=O)c2ocnc2C(F)F)nc(C(C)C)n1 ZINC000636728407 378424862 /nfs/dbraw/zinc/42/48/62/378424862.db2.gz XZXGINABZRJAPF-UHFFFAOYSA-N -1 3 296.277 3.086 20 0 CGADHM C[C@H](CN(C)C(=O)NCc1ccc([O-])c(F)c1)C(C)(C)C ZINC000636822139 378431124 /nfs/dbraw/zinc/43/11/24/378431124.db2.gz AWGWMDQORAKRAZ-LLVKDONJSA-N -1 3 296.386 3.355 20 0 CGADHM C[C@@H](CN(C)C(=O)NCc1ccc([O-])c(F)c1)C(C)(C)C ZINC000636822140 378431174 /nfs/dbraw/zinc/43/11/74/378431174.db2.gz AWGWMDQORAKRAZ-NSHDSACASA-N -1 3 296.386 3.355 20 0 CGADHM Cc1nc(C2CC2)oc1C(=O)N1CCCc2cccc([O-])c21 ZINC000273692566 378758105 /nfs/dbraw/zinc/75/81/05/378758105.db2.gz HFEISZNTQQKRCI-UHFFFAOYSA-N -1 3 298.342 3.159 20 0 CGADHM CCC[C@@H](NCc1cnc(C)[n-]c1=O)c1ccccc1 ZINC000346797944 218016264 /nfs/dbraw/zinc/01/62/64/218016264.db2.gz OYEWBSMZGGVKRG-OAHLLOKOSA-N -1 3 271.364 3.122 20 0 CGADHM COc1cc(C)c(NC([O-])=NOC2CCCC2)cc1F ZINC000274884175 378912356 /nfs/dbraw/zinc/91/23/56/378912356.db2.gz HKAHVNBTSYWNPJ-UHFFFAOYSA-N -1 3 282.315 3.138 20 0 CGADHM COc1cc(C)c(NC(=O)[N-]OC2CCCC2)cc1F ZINC000274884175 378912366 /nfs/dbraw/zinc/91/23/66/378912366.db2.gz HKAHVNBTSYWNPJ-UHFFFAOYSA-N -1 3 282.315 3.138 20 0 CGADHM O=C([O-])CC1(CNCc2cccc(F)c2F)CCCCC1 ZINC000277039966 379052362 /nfs/dbraw/zinc/05/23/62/379052362.db2.gz QSOCYEQCOQTFDZ-UHFFFAOYSA-N -1 3 297.345 3.480 20 0 CGADHM CC1(CC(=O)Nc2cc(F)ccc2[O-])CCCC1 ZINC000348847050 379082805 /nfs/dbraw/zinc/08/28/05/379082805.db2.gz ICCOOPMPHNOHRF-UHFFFAOYSA-N -1 3 251.301 3.440 20 0 CGADHM CC(C)CO[N-]C(=O)C[C@@H](C)c1c[nH]c2ccccc21 ZINC000278727830 194125500 /nfs/dbraw/zinc/12/55/00/194125500.db2.gz HTCBFKNPWXNKCO-GFCCVEGCSA-N -1 3 274.364 3.365 20 0 CGADHM COc1ccccc1CN[C@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000277345082 379137842 /nfs/dbraw/zinc/13/78/42/379137842.db2.gz PDCJTCVMCUJGMS-DYVFJYSZSA-N -1 3 299.370 3.247 20 0 CGADHM Cc1cc(C(=O)N2CC[C@@H](CC(F)(F)F)C2)ccc1[O-] ZINC000277672308 379211917 /nfs/dbraw/zinc/21/19/17/379211917.db2.gz SIBRGCWWWPWIPY-JTQLQIEISA-N -1 3 287.281 3.115 20 0 CGADHM Cc1cccc(C(=O)N(CC2CCC2)C(C)C)c1[O-] ZINC000277676633 379215583 /nfs/dbraw/zinc/21/55/83/379215583.db2.gz LBPLEWSYECFSKP-UHFFFAOYSA-N -1 3 261.365 3.351 20 0 CGADHM C[C@H](C1CC1)N(C(=O)c1cc([O-])ccc1Cl)C1CC1 ZINC000277652757 379207394 /nfs/dbraw/zinc/20/73/94/379207394.db2.gz LACVAVRSDALDMG-SECBINFHSA-N -1 3 279.767 3.449 20 0 CGADHM CCCCc1cc(NC(=O)c2cc([O-])ccc2Cl)n[nH]1 ZINC000278885824 194196615 /nfs/dbraw/zinc/19/66/15/194196615.db2.gz OFWIOVFMZXKZBG-UHFFFAOYSA-N -1 3 293.754 3.364 20 0 CGADHM CC[C@](C)(CNCc1c(F)cccc1Cl)C(=O)[O-] ZINC000278029247 379283511 /nfs/dbraw/zinc/28/35/11/379283511.db2.gz QYVFDBRJOWFDAR-CYBMUJFWSA-N -1 3 273.735 3.070 20 0 CGADHM C[C@@H]1CC[C@H](NC(=O)c2cc(=O)c3ccccc3[n-]2)C[C@H]1C ZINC000349581267 379311156 /nfs/dbraw/zinc/31/11/56/379311156.db2.gz DJPABOYJHMTJMU-UPJWGTAASA-N -1 3 298.386 3.083 20 0 CGADHM C[C@H]([N-]C(=O)C(F)F)c1ccc(OCC(F)(F)F)cc1 ZINC000278396082 379371987 /nfs/dbraw/zinc/37/19/87/379371987.db2.gz FGQLYFJRGBHOGP-ZETCQYMHSA-N -1 3 297.223 3.070 20 0 CGADHM c1ccc([C@@H]([N-]c2nnc(C3CC3)o2)[C@H]2CCCO2)cc1 ZINC000278465055 379396313 /nfs/dbraw/zinc/39/63/13/379396313.db2.gz TUYJEOFNEHDSFN-ZIAGYGMSSA-N -1 3 285.347 3.279 20 0 CGADHM CCO[N-]C(=O)CCC[C@@H](C)c1cccc(OC)c1 ZINC000278966665 194232032 /nfs/dbraw/zinc/23/20/32/194232032.db2.gz IBNHOTNHQSPRHF-GFCCVEGCSA-N -1 3 265.353 3.037 20 0 CGADHM COC(=O)c1cnc(SCc2sccc2Cl)[n-]1 ZINC000349817848 379398570 /nfs/dbraw/zinc/39/85/70/379398570.db2.gz BZNGTJLLJAPHAX-UHFFFAOYSA-N -1 3 288.781 3.204 20 0 CGADHM Cc1ccc(C(=O)N2CCC(c3ccccn3)CC2)c([O-])c1 ZINC000374348644 379426101 /nfs/dbraw/zinc/42/61/01/379426101.db2.gz GLKXDLURIRAQEB-UHFFFAOYSA-N -1 3 296.370 3.115 20 0 CGADHM CCOc1cc(-c2noc(-c3cnccc3C)n2)ccc1[O-] ZINC000350790394 379583143 /nfs/dbraw/zinc/58/31/43/379583143.db2.gz FCMXZWGOQVMLGQ-UHFFFAOYSA-N -1 3 297.314 3.211 20 0 CGADHM Cc1ccc(-c2cc(-c3nc(-c4cscn4)no3)n[n-]2)o1 ZINC000350559296 379559830 /nfs/dbraw/zinc/55/98/30/379559830.db2.gz FFLCCPPWERKLFK-UHFFFAOYSA-N -1 3 299.315 3.152 20 0 CGADHM Cc1ccc(-c2cc(-c3nc(-c4cscn4)no3)[n-]n2)o1 ZINC000350559296 379559837 /nfs/dbraw/zinc/55/98/37/379559837.db2.gz FFLCCPPWERKLFK-UHFFFAOYSA-N -1 3 299.315 3.152 20 0 CGADHM [O-]c1ccc(-c2noc(CSCC(F)(F)F)n2)cc1 ZINC000350572234 379564452 /nfs/dbraw/zinc/56/44/52/379564452.db2.gz FMTLYSGHDFQHRG-UHFFFAOYSA-N -1 3 290.266 3.238 20 0 CGADHM [O-]c1ccc(-c2noc([C@@H]3CC34CCSCC4)n2)cc1 ZINC000351083854 379638755 /nfs/dbraw/zinc/63/87/55/379638755.db2.gz VASRUOSHQYSSDQ-LBPRGKRZSA-N -1 3 288.372 3.443 20 0 CGADHM Cc1ocnc1-c1noc(-c2ccc(C)c(C)c2[O-])n1 ZINC000351020335 379624342 /nfs/dbraw/zinc/62/43/42/379624342.db2.gz OJDPAKOPAFSCEA-UHFFFAOYSA-N -1 3 271.276 3.022 20 0 CGADHM O=C(c1cc([O-])ccc1Cl)N1CCC2(CCCC2)C1 ZINC000377060340 379627395 /nfs/dbraw/zinc/62/73/95/379627395.db2.gz FXDHRMFXTCFYNP-UHFFFAOYSA-N -1 3 279.767 3.452 20 0 CGADHM CC[C@H](C)Oc1ccc(NC([O-])=NOCCSC)cc1 ZINC000280555863 379731700 /nfs/dbraw/zinc/73/17/00/379731700.db2.gz PVQVVJKQQSMKNG-NSHDSACASA-N -1 3 298.408 3.280 20 0 CGADHM CC[C@H](C)Oc1ccc(NC(=O)[N-]OCCSC)cc1 ZINC000280555863 379731705 /nfs/dbraw/zinc/73/17/05/379731705.db2.gz PVQVVJKQQSMKNG-NSHDSACASA-N -1 3 298.408 3.280 20 0 CGADHM Cc1nocc1[N-]C(=O)c1nc2ccccc2nc1C1CC1 ZINC000640480738 379808208 /nfs/dbraw/zinc/80/82/08/379808208.db2.gz NUJHZXPDLFVKPN-UHFFFAOYSA-N -1 3 294.314 3.056 20 0 CGADHM COCc1nnc(Sc2nc3cccc(C)c3s2)[n-]1 ZINC000280738563 379776735 /nfs/dbraw/zinc/77/67/35/379776735.db2.gz OALFULRXZAHFSS-UHFFFAOYSA-N -1 3 292.389 3.020 20 0 CGADHM COCc1n[n-]c(Sc2nc3cccc(C)c3s2)n1 ZINC000280738563 379776742 /nfs/dbraw/zinc/77/67/42/379776742.db2.gz OALFULRXZAHFSS-UHFFFAOYSA-N -1 3 292.389 3.020 20 0 CGADHM COCc1nc(Sc2nc3cccc(C)c3s2)n[n-]1 ZINC000280738563 379776749 /nfs/dbraw/zinc/77/67/49/379776749.db2.gz OALFULRXZAHFSS-UHFFFAOYSA-N -1 3 292.389 3.020 20 0 CGADHM C[C@@H](CCCc1ccccc1)C(=O)NCc1ncccc1[O-] ZINC000352515671 379842255 /nfs/dbraw/zinc/84/22/55/379842255.db2.gz HOFHEVKDXYFOOB-AWEZNQCLSA-N -1 3 298.386 3.062 20 0 CGADHM CC(C)C[C@H](C(=O)NCc1ncccc1[O-])c1ccccc1 ZINC000352517743 379843538 /nfs/dbraw/zinc/84/35/38/379843538.db2.gz RPADGSGGLXXVQV-HNNXBMFYSA-N -1 3 298.386 3.233 20 0 CGADHM [O-]c1cccc(CN2CC[C@@H]3CCC[C@H]32)c1Cl ZINC000378832121 379857642 /nfs/dbraw/zinc/85/76/42/379857642.db2.gz KOPPGXRAPREPOG-CMPLNLGQSA-N -1 3 251.757 3.420 20 0 CGADHM [O-]c1ccc(F)c(CNCC2(C3CC3)CCC2)c1F ZINC000352690670 379911330 /nfs/dbraw/zinc/91/13/30/379911330.db2.gz XSQYEOIXOUBRGT-UHFFFAOYSA-N -1 3 267.319 3.340 20 0 CGADHM C[C@H](C1CCCCC1)N(C)C(=O)c1cccc([O-])c1 ZINC000282421993 379916028 /nfs/dbraw/zinc/91/60/28/379916028.db2.gz GTYOUUBSNGESHL-GFCCVEGCSA-N -1 3 261.365 3.433 20 0 CGADHM CCCC1(CNCc2c(F)ccc([O-])c2F)CC1 ZINC000352670454 379902418 /nfs/dbraw/zinc/90/24/18/379902418.db2.gz GQBGYJAWSACSMC-UHFFFAOYSA-N -1 3 255.308 3.340 20 0 CGADHM Cc1cc(CN(C)C[C@H](C)C(C)(C)C)oc1C(=O)[O-] ZINC000399414217 379938835 /nfs/dbraw/zinc/93/88/35/379938835.db2.gz XHMLAYQLHMFUSK-NSHDSACASA-N -1 3 267.369 3.400 20 0 CGADHM Cc1cccc(F)c1[N-]S(=O)(=O)CCc1ccccc1 ZINC000352870857 380014649 /nfs/dbraw/zinc/01/46/49/380014649.db2.gz PSLHKOAHSMPJGU-UHFFFAOYSA-N -1 3 293.363 3.119 20 0 CGADHM [O-]c1cccnc1CNCc1cscc1C(F)(F)F ZINC000352880342 380016603 /nfs/dbraw/zinc/01/66/03/380016603.db2.gz BBPJHLOILKLEHY-UHFFFAOYSA-N -1 3 288.294 3.157 20 0 CGADHM CCCc1cnc([N-]C(=O)c2nnc(C(C)C)s2)s1 ZINC000283595615 380076386 /nfs/dbraw/zinc/07/63/86/380076386.db2.gz XZFCPVMLNXKZID-UHFFFAOYSA-N -1 3 296.421 3.323 20 0 CGADHM COc1ccc(F)c([N-]C(=O)c2cc(C(C)C)no2)c1 ZINC000268076755 190375061 /nfs/dbraw/zinc/37/50/61/190375061.db2.gz NMBNBKQXEZRTRR-UHFFFAOYSA-N -1 3 278.283 3.198 20 0 CGADHM Cc1oc(C(C)C)cc1C(=O)Nc1ncccc1[O-] ZINC000286145692 380165804 /nfs/dbraw/zinc/16/58/04/380165804.db2.gz RMUZCPSCYXRZGN-UHFFFAOYSA-N -1 3 260.293 3.064 20 0 CGADHM C[C@@H]1CC[C@H](N(C)Cc2c(F)ccc([O-])c2F)C1 ZINC000353209613 380169974 /nfs/dbraw/zinc/16/99/74/380169974.db2.gz ZLQIZXLWIZRKFN-ZJUUUORDSA-N -1 3 255.308 3.291 20 0 CGADHM Cc1cc(F)c(CNCCCCC(=O)[O-])c(Cl)c1 ZINC000414684795 380372675 /nfs/dbraw/zinc/37/26/75/380372675.db2.gz RPWRWXUPLYKOES-UHFFFAOYSA-N -1 3 273.735 3.132 20 0 CGADHM C[C@H]1CCC[C@H](Cc2nc(-c3ccc4n[n-]nc4c3)no2)C1 ZINC000643895066 380392645 /nfs/dbraw/zinc/39/26/45/380392645.db2.gz IARZZBLHGOSFMR-QWRGUYRKSA-N -1 3 297.362 3.377 20 0 CGADHM CN(CCCC(=O)[O-])Cc1ccc(-c2ccc(F)cc2)o1 ZINC000414635393 380347761 /nfs/dbraw/zinc/34/77/61/380347761.db2.gz GOLSCQXYDOQRTR-UHFFFAOYSA-N -1 3 291.322 3.382 20 0 CGADHM COc1ccc(F)cc1CN[C@H](CCC(C)(C)C)C(=O)[O-] ZINC000414661109 380357050 /nfs/dbraw/zinc/35/70/50/380357050.db2.gz PYMHDKQMTXNCFE-CYBMUJFWSA-N -1 3 297.370 3.203 20 0 CGADHM CCc1cc(C(=O)Nc2ncc(Cl)s2)ccc1[O-] ZINC000644000401 380406562 /nfs/dbraw/zinc/40/65/62/380406562.db2.gz KRLOTJZVWLYCQY-UHFFFAOYSA-N -1 3 282.752 3.317 20 0 CGADHM CCc1cc(C(=O)N[C@H](C)c2cnccc2C)ccc1[O-] ZINC000644052358 380412755 /nfs/dbraw/zinc/41/27/55/380412755.db2.gz UZEZSFJBOOJPHE-GFCCVEGCSA-N -1 3 284.359 3.149 20 0 CGADHM Cc1cc(C(=O)N2CCc3cc(F)ccc3C2)ccc1[O-] ZINC000354518396 380467717 /nfs/dbraw/zinc/46/77/17/380467717.db2.gz VFQHYVYYNKULEM-UHFFFAOYSA-N -1 3 285.318 3.038 20 0 CGADHM CO[C@H](CC(C)C)c1nc(-c2ccc([O-])cc2)no1 ZINC000417227697 380577563 /nfs/dbraw/zinc/57/75/63/380577563.db2.gz CWTHHBAJPHBGAM-GFCCVEGCSA-N -1 3 262.309 3.176 20 0 CGADHM COc1cccc(Cl)c1CN[C@@H](C)CCCCC(=O)[O-] ZINC000417550144 380637262 /nfs/dbraw/zinc/63/72/62/380637262.db2.gz UPYCFQRTKYKKFG-NSHDSACASA-N -1 3 299.798 3.472 20 0 CGADHM C[C@@H](NCc1csc(Cl)c1Cl)[C@H](C)C(=O)[O-] ZINC000417606230 380648285 /nfs/dbraw/zinc/64/82/85/380648285.db2.gz JQKJVQVHKPYJAB-NTSWFWBYSA-N -1 3 282.192 3.254 20 0 CGADHM CC1([C@H](NCc2ccc(Cl)o2)C(=O)[O-])CCCCC1 ZINC000417563351 380639755 /nfs/dbraw/zinc/63/97/55/380639755.db2.gz NLRVNAJSYNRHLZ-GFCCVEGCSA-N -1 3 285.771 3.446 20 0 CGADHM CCCC[C@@H](NCc1cccc(Cl)c1OCC)C(=O)[O-] ZINC000417586198 380645091 /nfs/dbraw/zinc/64/50/91/380645091.db2.gz ARQHQTOHOHPWIY-CYBMUJFWSA-N -1 3 299.798 3.472 20 0 CGADHM O=C([O-])C1(CNCc2ccc(F)c(Cl)c2Cl)CC1 ZINC000417598691 380647462 /nfs/dbraw/zinc/64/74/62/380647462.db2.gz BAOYGSUEPWKOGK-UHFFFAOYSA-N -1 3 292.137 3.087 20 0 CGADHM COc1cccc(Cl)c1CNC[C@H](CC(C)C)C(=O)[O-] ZINC000417617053 380653035 /nfs/dbraw/zinc/65/30/35/380653035.db2.gz BLWBOHHIIFETIO-NSHDSACASA-N -1 3 299.798 3.185 20 0 CGADHM Cc1ccc(-c2ccc(CN[C@@H]3C=C[C@H](C(=O)[O-])C3)o2)cc1 ZINC000417618444 380653827 /nfs/dbraw/zinc/65/38/27/380653827.db2.gz JJQDAWIJKAGXPS-LSDHHAIUSA-N -1 3 297.354 3.374 20 0 CGADHM CC[C@H]1CN(Cc2c(F)ccc([O-])c2F)C[C@H](CC)O1 ZINC000421386655 380931348 /nfs/dbraw/zinc/93/13/48/380931348.db2.gz HXNXYWXVMYMKDP-QWRGUYRKSA-N -1 3 285.334 3.060 20 0 CGADHM O=C(N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1)C1CC1 ZINC000357050827 381013399 /nfs/dbraw/zinc/01/33/99/381013399.db2.gz HTXKZFOUHWHSMS-UHFFFAOYSA-N -1 3 296.157 3.154 20 0 CGADHM CCN(C(=O)c1cccc([O-])c1)c1ccc(OC)cc1 ZINC000357181396 381056762 /nfs/dbraw/zinc/05/67/62/381056762.db2.gz DVSPNMMZBQQDMI-UHFFFAOYSA-N -1 3 271.316 3.068 20 0 CGADHM CCCC(=O)Nc1cccc(NC(=O)c2cccc([O-])c2)c1 ZINC000357216707 381070483 /nfs/dbraw/zinc/07/04/83/381070483.db2.gz SGKKXOVQTASNBV-UHFFFAOYSA-N -1 3 298.342 3.383 20 0 CGADHM C[C@H]1CCCCCN1C(=O)Cc1ccc([O-])cc1Cl ZINC000357298109 381097282 /nfs/dbraw/zinc/09/72/82/381097282.db2.gz XRDMILPPCBATAT-NSHDSACASA-N -1 3 281.783 3.379 20 0 CGADHM Cc1ccn(-c2ccc(NC(=O)c3cccc([O-])c3)cc2)n1 ZINC000357299378 381097640 /nfs/dbraw/zinc/09/76/40/381097640.db2.gz NSKJDIXEXFIMJD-UHFFFAOYSA-N -1 3 293.326 3.139 20 0 CGADHM C[C@@H]1Cc2ccccc2[C@H]1NC(=O)c1cccc([O-])c1 ZINC000357348566 381118549 /nfs/dbraw/zinc/11/85/49/381118549.db2.gz CWQHXQNAIXFVNO-BZNIZROVSA-N -1 3 267.328 3.056 20 0 CGADHM CCC[C@@H](C)[C@@H]1CCCN1C(=O)c1cccc([O-])c1 ZINC000357442127 381160860 /nfs/dbraw/zinc/16/08/60/381160860.db2.gz ORBHDEDULCYULR-DOMZBBRYSA-N -1 3 261.365 3.433 20 0 CGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)CC(C)(C)CC ZINC000357666845 381241933 /nfs/dbraw/zinc/24/19/33/381241933.db2.gz XNQFTQGDOWBMFS-UHFFFAOYSA-N -1 3 296.367 3.179 20 0 CGADHM Cc1cc(C(=O)N2CCSC3(CCC3)CC2)ccc1[O-] ZINC000334822685 207137571 /nfs/dbraw/zinc/13/75/71/207137571.db2.gz CNLZWHVQJQJWAC-UHFFFAOYSA-N -1 3 291.416 3.202 20 0 CGADHM CC(C)(CC(=O)Nc1ccc([O-])cc1F)C(F)(F)F ZINC000360030083 381418447 /nfs/dbraw/zinc/41/84/47/381418447.db2.gz UASWJOLUPMWYHC-UHFFFAOYSA-N -1 3 279.233 3.448 20 0 CGADHM COc1ccc([O-])c(C(=O)N2CC[C@]3(CC[C@H](C)C3)C2)c1 ZINC000360680568 381614968 /nfs/dbraw/zinc/61/49/68/381614968.db2.gz MHMLUQKTMDYSHI-SJCJKPOMSA-N -1 3 289.375 3.053 20 0 CGADHM CC1(C)C[C@H]1C(=O)Nc1nnc(-c2cc3ccccc3o2)[n-]1 ZINC000362260378 381923466 /nfs/dbraw/zinc/92/34/66/381923466.db2.gz HKKJVBQFFMMKNU-JTQLQIEISA-N -1 3 296.330 3.203 20 0 CGADHM CC1(C)C[C@H]1C(=O)Nc1nc(-c2cc3ccccc3o2)n[n-]1 ZINC000362260378 381923470 /nfs/dbraw/zinc/92/34/70/381923470.db2.gz HKKJVBQFFMMKNU-JTQLQIEISA-N -1 3 296.330 3.203 20 0 CGADHM CC1(C)C[C@H]1C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000362260378 381923471 /nfs/dbraw/zinc/92/34/71/381923471.db2.gz HKKJVBQFFMMKNU-JTQLQIEISA-N -1 3 296.330 3.203 20 0 CGADHM COc1cc(C(=O)N2CCC[C@@H](C(C)(C)C)C2)ccc1[O-] ZINC000280718164 194943076 /nfs/dbraw/zinc/94/30/76/194943076.db2.gz YGMBFTBVMYCBQH-CYBMUJFWSA-N -1 3 291.391 3.299 20 0 CGADHM COC1CCC(C)(CNC(=O)c2cc(C)ccc2[O-])CC1 ZINC000436845817 533035680 /nfs/dbraw/zinc/03/56/80/533035680.db2.gz AHKBZQQCXNKYFP-UHFFFAOYSA-N -1 3 291.391 3.026 20 0 CGADHM O=S(=O)([N-]c1cc(F)ccc1F)C1=CCCCC1 ZINC000281125195 195113965 /nfs/dbraw/zinc/11/39/65/195113965.db2.gz ILIYFHKLOVADOB-UHFFFAOYSA-N -1 3 273.304 3.164 20 0 CGADHM COc1ccccc1[C@@H]([N-]C(=O)C(C)(F)F)c1ccco1 ZINC000289339082 197302033 /nfs/dbraw/zinc/30/20/33/197302033.db2.gz YYBNYKNKYFVYHL-CYBMUJFWSA-N -1 3 295.285 3.149 20 0 CGADHM O=C(c1cc([O-])c2ccccc2c1)N1CCCSCC1 ZINC000280941752 542382782 /nfs/dbraw/zinc/38/27/82/542382782.db2.gz WOTMRVNCUXOBBP-UHFFFAOYSA-N -1 3 287.384 3.125 20 0 CGADHM COC[C@@H]1CCCN(C(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000280792902 542382807 /nfs/dbraw/zinc/38/28/07/542382807.db2.gz FTXWPZODPBXJRH-CYBMUJFWSA-N -1 3 299.370 3.044 20 0 CGADHM C[C@@H]1CSCCN1C(=O)c1cc([O-])c2ccccc2c1 ZINC000280288978 542381136 /nfs/dbraw/zinc/38/11/36/542381136.db2.gz GLGKJWJHJVMNDJ-LLVKDONJSA-N -1 3 287.384 3.123 20 0 CGADHM CCC[C@H]1CN(C(=O)c2cc([O-])c3ccccc3c2)CCO1 ZINC000281467848 542383909 /nfs/dbraw/zinc/38/39/09/542383909.db2.gz GNGNGXUJJNECCS-HNNXBMFYSA-N -1 3 299.370 3.187 20 0 CGADHM CC[C@@H]1CN(C(=O)c2cc([O-])c3ccccc3c2)CCCO1 ZINC000281816461 542384655 /nfs/dbraw/zinc/38/46/55/542384655.db2.gz XDQDYIGKPMXDQF-OAHLLOKOSA-N -1 3 299.370 3.187 20 0 CGADHM Cc1nc2ccc(NC(=O)c3ccc([O-])c(C)c3)cc2o1 ZINC000353869894 220378741 /nfs/dbraw/zinc/37/87/41/220378741.db2.gz KAIYZKGIGZMZJK-UHFFFAOYSA-N -1 3 282.299 3.403 20 0 CGADHM O=C(C[C@@H]1C[C@H]1c1ccccc1)NCc1ccc([O-])c(F)c1 ZINC000354370437 220703686 /nfs/dbraw/zinc/70/36/86/220703686.db2.gz GNYWCSHDCNTBDR-GJZGRUSLSA-N -1 3 299.345 3.341 20 0 CGADHM COCCCO[N-]C(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000288115538 197008271 /nfs/dbraw/zinc/00/82/71/197008271.db2.gz LTOZWVSVENFHFW-DLBZAZTESA-N -1 3 299.370 3.028 20 0 CGADHM Cc1ccc(F)cc1CN1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000318094169 542438028 /nfs/dbraw/zinc/43/80/28/542438028.db2.gz XWVMNUKFVQBEIK-KRWDZBQOSA-N -1 3 299.345 3.318 20 0 CGADHM COc1ccc([C@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC000121363536 533202869 /nfs/dbraw/zinc/20/28/69/533202869.db2.gz LUMHGGXXQPAKHK-MRXNPFEDSA-N -1 3 297.354 3.378 20 0 CGADHM Cc1cccnc1CNC(=O)c1cc([O-])c2ccccc2c1 ZINC000349632982 542526347 /nfs/dbraw/zinc/52/63/47/542526347.db2.gz RJDLLUKEDDNYAA-UHFFFAOYSA-N -1 3 292.338 3.179 20 0 CGADHM CC[C@@H](NC(=O)c1cc([O-])c2ccccc2c1)c1ncc[nH]1 ZINC000355726692 542568146 /nfs/dbraw/zinc/56/81/46/542568146.db2.gz BCGHDVPVFDGJJU-CQSZACIVSA-N -1 3 295.342 3.150 20 0 CGADHM CC[C@H](C)[C@H](C)N(C(=O)/C=C/c1cncc([O-])c1)C1CC1 ZINC000179482629 260051206 /nfs/dbraw/zinc/05/12/06/260051206.db2.gz HMWJVVAOXZDCPO-BVAIOKDQSA-N -1 3 288.391 3.226 20 0 CGADHM Cc1ncc(/C=C/C(=O)Nc2ccc(Cl)cc2[O-])s1 ZINC000179639276 260059648 /nfs/dbraw/zinc/05/96/48/260059648.db2.gz AWIPYFARMIFTJK-HWKANZROSA-N -1 3 294.763 3.462 20 0 CGADHM CCN(CC(F)F)C(=O)c1cc([O-])ccc1C(F)(F)F ZINC000281727531 195355050 /nfs/dbraw/zinc/35/50/50/195355050.db2.gz XNYXMKIGCWQLTR-UHFFFAOYSA-N -1 3 297.223 3.138 20 0 CGADHM COc1ccc(C(=O)NCc2ccc(C3CC3)cc2)c([O-])c1 ZINC000436556607 533336217 /nfs/dbraw/zinc/33/62/17/533336217.db2.gz SIZZRCBYQKVXLQ-UHFFFAOYSA-N -1 3 297.354 3.208 20 0 CGADHM COc1cccc(C(=O)N2CC(C)(C)CC(C)(C)C2)c1[O-] ZINC000436809316 533395555 /nfs/dbraw/zinc/39/55/55/533395555.db2.gz SKGXVXBMFJKKHD-UHFFFAOYSA-N -1 3 291.391 3.299 20 0 CGADHM COc1cccc(C(=O)N[C@@H](C)Cc2ccccc2C)c1[O-] ZINC000436669000 533413953 /nfs/dbraw/zinc/41/39/53/533413953.db2.gz GULZFBBALPJBNM-ZDUSSCGKSA-N -1 3 299.370 3.070 20 0 CGADHM COc1cc(C(=O)N[C@H](C)CC2CCCCC2)ccc1[O-] ZINC000428064575 533551652 /nfs/dbraw/zinc/55/16/52/533551652.db2.gz YSYPDYFQZIXLHH-GFCCVEGCSA-N -1 3 291.391 3.490 20 0 CGADHM CC[C@H]1CC[C@H](C(=O)Nc2nnc(-c3ccccn3)[n-]2)CC1 ZINC000189917066 130038295 /nfs/dbraw/zinc/03/82/95/130038295.db2.gz QBFHHMDJYRQBBA-TXEJJXNPSA-N -1 3 299.378 3.022 20 0 CGADHM CC[C@H]1CC[C@H](C(=O)Nc2nc(-c3ccccn3)n[n-]2)CC1 ZINC000189917066 130038296 /nfs/dbraw/zinc/03/82/96/130038296.db2.gz QBFHHMDJYRQBBA-TXEJJXNPSA-N -1 3 299.378 3.022 20 0 CGADHM CC[C@H]1CC[C@H](C(=O)Nc2n[n-]c(-c3ccccn3)n2)CC1 ZINC000189917066 130038298 /nfs/dbraw/zinc/03/82/98/130038298.db2.gz QBFHHMDJYRQBBA-TXEJJXNPSA-N -1 3 299.378 3.022 20 0 CGADHM Cc1ccsc1CN(C)Cc1ccc(C(=O)[O-])s1 ZINC000383730697 542601102 /nfs/dbraw/zinc/60/11/02/542601102.db2.gz LYZURZSFNZEXMG-UHFFFAOYSA-N -1 3 281.402 3.448 20 0 CGADHM Cc1ccc(C(=O)N2CCc3ccccc3C2)c([O-])c1C ZINC000048369500 391998532 /nfs/dbraw/zinc/99/85/32/391998532.db2.gz WDDXXGCYZYESKI-UHFFFAOYSA-N -1 3 281.355 3.208 20 0 CGADHM COc1ccc(C(=O)N[C@@H](C)C2CCCCC2)c([O-])c1 ZINC000052343683 392078184 /nfs/dbraw/zinc/07/81/84/392078184.db2.gz YMEVGOPRUAMDQR-NSHDSACASA-N -1 3 277.364 3.099 20 0 CGADHM COc1ccc(C(=O)N2CCC(C(C)(C)C)CC2)c([O-])c1 ZINC000050348905 392062569 /nfs/dbraw/zinc/06/25/69/392062569.db2.gz YZGXSUKJLWZQOE-UHFFFAOYSA-N -1 3 291.391 3.299 20 0 CGADHM CC[C@H](NC(=O)c1ccc(OC)cc1[O-])c1ccccc1 ZINC000055463796 392099197 /nfs/dbraw/zinc/09/91/97/392099197.db2.gz RCJJSRDXIJDOPL-HNNXBMFYSA-N -1 3 285.343 3.282 20 0 CGADHM CCCCN(C(=O)c1cc(OC)ccc1[O-])[C@@H](C)CC ZINC000055487486 392099404 /nfs/dbraw/zinc/09/94/04/392099404.db2.gz MIAFWTZOCHFXJJ-LBPRGKRZSA-N -1 3 279.380 3.442 20 0 CGADHM CCCCN(CCCC)C(=O)c1cc(OC)ccc1[O-] ZINC000055482377 392099424 /nfs/dbraw/zinc/09/94/24/392099424.db2.gz WLCHGHRIEXQOLL-UHFFFAOYSA-N -1 3 279.380 3.443 20 0 CGADHM O=C([N-]C1=NCCS1)[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000107424888 392322673 /nfs/dbraw/zinc/32/26/73/392322673.db2.gz GCTUFBCAXYQPFV-LSDHHAIUSA-N -1 3 296.395 3.162 20 0 CGADHM COc1ccc(NC(=O)[C@H]2[C@H](c3ccccc3)[C@@H]2C)c([O-])c1 ZINC000435831767 542658132 /nfs/dbraw/zinc/65/81/32/542658132.db2.gz VINLWMQETNAUBJ-MZPVMMEZSA-N -1 3 297.354 3.389 20 0 CGADHM COc1ccc(NC(=O)[C@@H]2[C@H](C)[C@H]2c2ccccc2)c([O-])c1 ZINC000435831770 542658141 /nfs/dbraw/zinc/65/81/41/542658141.db2.gz VINLWMQETNAUBJ-ZTFRIQLXSA-N -1 3 297.354 3.389 20 0 CGADHM Cc1cccc(C(=O)Nc2cc(C(F)(F)F)ccn2)c1[O-] ZINC000436563916 542658624 /nfs/dbraw/zinc/65/86/24/542658624.db2.gz FWWGEPAPEOQMBN-UHFFFAOYSA-N -1 3 296.248 3.367 20 0 CGADHM CCc1ccc(CC(=O)Nc2ccc(OC)cc2[O-])cc1 ZINC000443555398 542667324 /nfs/dbraw/zinc/66/73/24/542667324.db2.gz CJAHPGDDJBPXGF-UHFFFAOYSA-N -1 3 285.343 3.144 20 0 CGADHM C[C@@H]1CC[C@H](NC(=O)c2c[n-]c3ccccc3c2=O)[C@@H](C)C1 ZINC000253542800 131143628 /nfs/dbraw/zinc/14/36/28/131143628.db2.gz HLYGYBVPNMBOFC-XUJVJEKNSA-N -1 3 298.386 3.495 20 0 CGADHM CC(C)Oc1ccc(CN[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000262718773 131255411 /nfs/dbraw/zinc/25/54/11/131255411.db2.gz UGFRVWMHCBBQCQ-QGZVFWFLSA-N -1 3 299.370 3.389 20 0 CGADHM CC(F)(F)C(=O)[N-][C@@H]1CCSc2c(F)cccc21 ZINC000288590904 392408628 /nfs/dbraw/zinc/40/86/28/392408628.db2.gz OPDWBXQNKBTIDA-SECBINFHSA-N -1 3 275.295 3.134 20 0 CGADHM CCc1cc(C(=O)N(C)[C@@H](C)c2ccco2)ccc1[O-] ZINC000291567895 392469945 /nfs/dbraw/zinc/46/99/45/392469945.db2.gz YWGGRAUAUDELEZ-NSHDSACASA-N -1 3 273.332 3.381 20 0 CGADHM CCc1cc(C(=O)N(C)C2Cc3ccccc3C2)ccc1[O-] ZINC000291570616 392469980 /nfs/dbraw/zinc/46/99/80/392469980.db2.gz SVAWAYUMXQEQLX-UHFFFAOYSA-N -1 3 295.382 3.194 20 0 CGADHM CCc1cc(C(=O)N2CCCC[C@H]2c2cc[nH]n2)ccc1[O-] ZINC000291808236 392486800 /nfs/dbraw/zinc/48/68/00/392486800.db2.gz FFCZKGLXKIUOAO-HNNXBMFYSA-N -1 3 299.374 3.045 20 0 CGADHM Cc1ccccc1[C@H](C)CC(=O)[N-]OC/C=C/Cl ZINC000291853962 392493095 /nfs/dbraw/zinc/49/30/95/392493095.db2.gz OJAQJUQZCXBIRA-FZKGZDJFSA-N -1 3 267.756 3.289 20 0 CGADHM C[C@@H]1[C@@H](C)CCN1Cc1cccc([O-])c1Br ZINC000315757071 392669669 /nfs/dbraw/zinc/66/96/69/392669669.db2.gz HMOXPGYZOHXEDP-VHSXEESVSA-N -1 3 284.197 3.385 20 0 CGADHM CCc1cc(=O)[n-]c(CN[C@H](C)[C@@H](C)c2ccccc2)n1 ZINC000181526920 392733692 /nfs/dbraw/zinc/73/36/92/392733692.db2.gz FRHSUJPGBGWMLB-CHWSQXEVSA-N -1 3 285.391 3.026 20 0 CGADHM CCC[C@@](C)(O)C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000506254110 392716748 /nfs/dbraw/zinc/71/67/48/392716748.db2.gz NAHMMKHDFRVTLC-MRXNPFEDSA-N -1 3 279.380 3.179 20 0 CGADHM Cc1cc(F)c(CN[C@H]2CCC[C@@H](C(=O)[O-])C2)c(F)c1 ZINC000647649072 392777981 /nfs/dbraw/zinc/77/79/81/392777981.db2.gz PNNNEOGRDIIGSY-MNOVXSKESA-N -1 3 283.318 3.006 20 0 CGADHM Cc1cccc([O-])c1NC(=O)[C@@H]1CCC(=O)c2ccccc21 ZINC000336235066 392841742 /nfs/dbraw/zinc/84/17/42/392841742.db2.gz KGSPVLCTISWSQM-CQSZACIVSA-N -1 3 295.338 3.399 20 0 CGADHM O=C(Nc1[nH][n-]c2cc(=O)ccc1-2)c1ccc2c(c1)CCC2 ZINC000647800373 392801287 /nfs/dbraw/zinc/80/12/87/392801287.db2.gz ZUYDJCJWWHUVJF-UHFFFAOYSA-N -1 3 293.326 3.010 20 0 CGADHM CC(C)(C)C(C)(C)NC(=O)NCc1ccc([O-])c(F)c1 ZINC000458429149 392826991 /nfs/dbraw/zinc/82/69/91/392826991.db2.gz VNQBFJRDLMEZHR-UHFFFAOYSA-N -1 3 282.359 3.155 20 0 CGADHM [O-]c1coc2cc(OC[C@@H]3CCCCC3(F)F)ccc12 ZINC000382231238 392918808 /nfs/dbraw/zinc/91/88/08/392918808.db2.gz VIFOMZOIADGMTG-JTQLQIEISA-N -1 3 282.286 3.466 20 0 CGADHM Cc1cccc(C(=O)NC[C@@H]2CCCCC2(F)F)c1[O-] ZINC000391026712 392928081 /nfs/dbraw/zinc/92/80/81/392928081.db2.gz INUYGJTVPJNBGM-NSHDSACASA-N -1 3 283.318 3.256 20 0 CGADHM C[C@H]1CCC[C@@H]1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000504332288 542726585 /nfs/dbraw/zinc/72/65/85/542726585.db2.gz PWEJYSPYJPSUHI-NHYWBVRUSA-N -1 3 269.344 3.464 20 0 CGADHM CC(C)C(=O)Nc1ccc(NC(=O)c2cccc([O-])c2)cc1 ZINC000340018965 392964443 /nfs/dbraw/zinc/96/44/43/392964443.db2.gz FVLVYQOOZRQKHX-UHFFFAOYSA-N -1 3 298.342 3.239 20 0 CGADHM C[C@@H]1CC[C@H](C(=O)N2CCCc3cccc([O-])c32)C1 ZINC000352662820 393204678 /nfs/dbraw/zinc/20/46/78/393204678.db2.gz BNJMCYPZVQBSDC-YPMHNXCESA-N -1 3 259.349 3.108 20 0 CGADHM C[C@@H]1CCN(C(=O)c2cccc(F)n2)c2c([O-])cccc21 ZINC000274390240 393284735 /nfs/dbraw/zinc/28/47/35/393284735.db2.gz PHZUNQAEOFJBOM-SNVBAGLBSA-N -1 3 286.306 3.080 20 0 CGADHM CC(C)n1ccc(C(=O)N2CC[C@H](C)c3cccc([O-])c32)n1 ZINC000274405735 393285078 /nfs/dbraw/zinc/28/50/78/393285078.db2.gz UEHWXWKVFVUTLQ-LBPRGKRZSA-N -1 3 299.374 3.324 20 0 CGADHM CC[C@@H](NC(=O)Cc1ccc([O-])c(F)c1)[C@H]1CC1(C)C ZINC000416276707 393288909 /nfs/dbraw/zinc/28/89/09/393288909.db2.gz NHTNBDIZIUFIKM-DGCLKSJQSA-N -1 3 279.355 3.015 20 0 CGADHM CSc1ccc(NC(=O)c2ccc3[nH][n-]c(=O)c3c2)cc1 ZINC000646609418 393308335 /nfs/dbraw/zinc/30/83/35/393308335.db2.gz TZBMOOVSBFTIAX-UHFFFAOYSA-N -1 3 299.355 3.243 20 0 CGADHM O=C(c1ccc2[nH][n-]c(=O)c2c1)N1CCC[C@H]1C1CCCC1 ZINC000646724317 393312838 /nfs/dbraw/zinc/31/28/38/393312838.db2.gz RMAWSONCOAIQJS-HNNXBMFYSA-N -1 3 299.374 3.063 20 0 CGADHM CCc1ccc(C(=O)N2CC(C)(CC(F)F)C2)c([O-])c1 ZINC000649015725 393319265 /nfs/dbraw/zinc/31/92/65/393319265.db2.gz BLDFIPSBZXVOEF-UHFFFAOYSA-N -1 3 283.318 3.072 20 0 CGADHM CCCn1c(=O)[n-]nc1SC[C@@H]1CCc2ccccc21 ZINC000355448541 393326374 /nfs/dbraw/zinc/32/63/74/393326374.db2.gz ODWLLLWYRAEOIN-LBPRGKRZSA-N -1 3 289.404 3.216 20 0 CGADHM O=C(CCc1ccc2ccccc2c1[O-])NC1CC=CC1 ZINC000649135175 393351813 /nfs/dbraw/zinc/35/18/13/393351813.db2.gz XOMZLSHTASYFGY-UHFFFAOYSA-N -1 3 281.355 3.313 20 0 CGADHM COCCCCCSCc1cc(=O)[n-]c(C2CC2)n1 ZINC000419416116 393374892 /nfs/dbraw/zinc/37/48/92/393374892.db2.gz VYDXXXITKVPCEB-UHFFFAOYSA-N -1 3 282.409 3.110 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@H](C)c1cccc(F)c1 ZINC000649231261 393379239 /nfs/dbraw/zinc/37/92/39/393379239.db2.gz NJAJAMAWNZOHRG-SNVBAGLBSA-N -1 3 289.354 3.145 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)c1ccc(F)c(Cl)c1 ZINC000649231120 393379484 /nfs/dbraw/zinc/37/94/84/393379484.db2.gz IJWYKUVRRBCGHD-UHFFFAOYSA-N -1 3 295.745 3.308 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)C1(Cc2ccccc2)CC1 ZINC000649231190 393379493 /nfs/dbraw/zinc/37/94/93/393379493.db2.gz KUQOVIJLKSTGHC-UHFFFAOYSA-N -1 3 297.402 3.225 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)C1(c2ccccc2C)CC1 ZINC000649231666 393379730 /nfs/dbraw/zinc/37/97/30/393379730.db2.gz BKCSTXQBUMQRLP-UHFFFAOYSA-N -1 3 297.402 3.242 20 0 CGADHM CCc1cc(=O)[n-]c(CSCCOCC2CCCC2)n1 ZINC000419438254 393380416 /nfs/dbraw/zinc/38/04/16/393380416.db2.gz NKRGZMSVEVSOIV-UHFFFAOYSA-N -1 3 296.436 3.185 20 0 CGADHM CC1(C2CC2)CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000427597146 393457079 /nfs/dbraw/zinc/45/70/79/393457079.db2.gz RFJRGCSDQZIGRM-UHFFFAOYSA-N -1 3 259.349 3.045 20 0 CGADHM COc1ccc([O-])c(C(=O)NCc2ccc(C3CC3)cc2)c1 ZINC000360814403 393593514 /nfs/dbraw/zinc/59/35/14/393593514.db2.gz RNNBTQQMQWDCNC-UHFFFAOYSA-N -1 3 297.354 3.208 20 0 CGADHM CCO[C@H](CC(=O)Nc1ccc([O-])cc1F)C1=CCCC1 ZINC000360855038 393599023 /nfs/dbraw/zinc/59/90/23/393599023.db2.gz CSOVWXWOMHPYCI-OAHLLOKOSA-N -1 3 293.338 3.375 20 0 CGADHM C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc([O-])cc1F ZINC000360859964 393600282 /nfs/dbraw/zinc/60/02/82/393600282.db2.gz OWMXNCJUYDAUNP-SECBINFHSA-N -1 3 293.269 3.076 20 0 CGADHM CO[C@@](C)(CNC(=O)c1cc([O-])c2ccccc2c1)C1CC1 ZINC000360744285 393579961 /nfs/dbraw/zinc/57/99/61/393579961.db2.gz JDWHZPBAFDGCJP-SFHVURJKSA-N -1 3 299.370 3.090 20 0 CGADHM Cc1noc([N-]C(=O)COC[C@H](C)c2ccccc2)c1C ZINC000649774012 393581710 /nfs/dbraw/zinc/58/17/10/393581710.db2.gz OKDCHYFWZUVRJV-NSHDSACASA-N -1 3 288.347 3.050 20 0 CGADHM CCc1ccc(CCSc2ncc(C(=O)OC)[n-]2)cc1 ZINC000432662942 393625887 /nfs/dbraw/zinc/62/58/87/393625887.db2.gz CCXGSEKRZPUTPJ-UHFFFAOYSA-N -1 3 290.388 3.094 20 0 CGADHM COC(=O)c1cnc(SCCCCc2ccccc2)[n-]1 ZINC000432665120 393626113 /nfs/dbraw/zinc/62/61/13/393626113.db2.gz OTECHYWJKGUKAO-UHFFFAOYSA-N -1 3 290.388 3.311 20 0 CGADHM CCc1ccccc1CCSc1ncc(C(=O)OC)[n-]1 ZINC000432652128 393626227 /nfs/dbraw/zinc/62/62/27/393626227.db2.gz ATSHQRQCAZVFGY-UHFFFAOYSA-N -1 3 290.388 3.094 20 0 CGADHM Cc1cc(-c2noc(/C=C/c3cccc([O-])c3)n2)ccn1 ZINC000432685947 393627948 /nfs/dbraw/zinc/62/79/48/393627948.db2.gz ITQDPEMYAWVCDT-AATRIKPKSA-N -1 3 279.299 3.316 20 0 CGADHM O=C(/C=C\c1cncc([O-])c1)Nc1nc2ccccc2s1 ZINC000492522140 393748249 /nfs/dbraw/zinc/74/82/49/393748249.db2.gz SIGHELOMBLBCKV-WAYWQWQTSA-N -1 3 297.339 3.049 20 0 CGADHM C[C@@H](CCNC(=O)/C=C\c1cncc([O-])c1)c1ccccc1 ZINC000492595278 393759169 /nfs/dbraw/zinc/75/91/69/393759169.db2.gz MZPJHDLPOSXPKR-DANTVBBOSA-N -1 3 296.370 3.110 20 0 CGADHM C[C@@H](CCNC(=O)/C=C/c1cncc([O-])c1)c1ccccc1 ZINC000492595280 393759187 /nfs/dbraw/zinc/75/91/87/393759187.db2.gz MZPJHDLPOSXPKR-NPQIQWPPSA-N -1 3 296.370 3.110 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)/C=C\c2ccncc2)c1[O-] ZINC000492304624 393717055 /nfs/dbraw/zinc/71/70/55/393717055.db2.gz PGWAIEOHAFWBIN-IHWYPQMZSA-N -1 3 288.734 3.401 20 0 CGADHM C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)c1ccc(O)cc1[O-] ZINC000436711173 393717484 /nfs/dbraw/zinc/71/74/84/393717484.db2.gz DXLUWFLYUZGXCM-PIGZYNQJSA-N -1 3 297.354 3.151 20 0 CGADHM Cc1cccc(C(=O)N[C@H]2c3ccccc3C[C@H]2C)c1[O-] ZINC000436843349 393717566 /nfs/dbraw/zinc/71/75/66/393717566.db2.gz ZZDFSZRETWVIRE-MLGOLLRUSA-N -1 3 281.355 3.364 20 0 CGADHM Cc1cc(C(=O)N2CC3(CC3)c3ccccc32)ccc1[O-] ZINC000500626939 393834331 /nfs/dbraw/zinc/83/43/31/393834331.db2.gz UPIFVZAZUSPKOB-UHFFFAOYSA-N -1 3 279.339 3.393 20 0 CGADHM CCC(C)(CC)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000500096140 393816606 /nfs/dbraw/zinc/81/66/06/393816606.db2.gz GHUIPDGMTYRVPP-UHFFFAOYSA-N -1 3 293.791 3.336 20 0 CGADHM Cc1cc(C)cc(-c2cc(=NC(=O)[C@H](C)C(C)C)[nH][n-]2)c1 ZINC000500578259 393833136 /nfs/dbraw/zinc/83/31/36/393833136.db2.gz XZLTXCLULSXYGE-CYBMUJFWSA-N -1 3 285.391 3.346 20 0 CGADHM [O-]c1ccc(F)c(CN2C[C@H](C3CC3)[C@H]2C2CC2)c1F ZINC000449532148 393885388 /nfs/dbraw/zinc/88/53/88/393885388.db2.gz CTCHMIIKYDIGEE-BDJLRTHQSA-N -1 3 279.330 3.291 20 0 CGADHM CSc1ccc([O-])c(C(=O)N2CCC[C@@H]2C(C)C)c1 ZINC000667207859 542853718 /nfs/dbraw/zinc/85/37/18/542853718.db2.gz DZZHOHQRMPFGLL-CYBMUJFWSA-N -1 3 279.405 3.375 20 0 CGADHM CSc1ccc([O-])c(C(=O)N2CCC[C@H](C)CC2)c1 ZINC000667447768 542869161 /nfs/dbraw/zinc/86/91/61/542869161.db2.gz GABLIXLZFPLVQA-NSHDSACASA-N -1 3 279.405 3.376 20 0 CGADHM C[C@@H]1CN(C(=O)Cc2ccc([O-])c(F)c2)[C@H]2CCCC[C@H]12 ZINC000450538714 394012937 /nfs/dbraw/zinc/01/29/37/394012937.db2.gz ZVOGWLYDVIODGN-KYOSRNDESA-N -1 3 291.366 3.111 20 0 CGADHM CCc1ccc(C(=O)N2C[C@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)c([O-])c1 ZINC000452591282 394089061 /nfs/dbraw/zinc/08/90/61/394089061.db2.gz MFWLEYPWWJNYAF-DFHZNHDVSA-N -1 3 297.398 3.239 20 0 CGADHM Cc1ccc(C(=O)NCCCc2ncccc2C)c([O-])c1C ZINC000452784896 394119180 /nfs/dbraw/zinc/11/91/80/394119180.db2.gz QSYJZCPIMOQAHU-UHFFFAOYSA-N -1 3 298.386 3.075 20 0 CGADHM CCc1ccc(C(=O)NCCC2CC(F)(F)C2)c([O-])c1 ZINC000457189859 394327077 /nfs/dbraw/zinc/32/70/77/394327077.db2.gz RPECAUCHYQCTRL-UHFFFAOYSA-N -1 3 283.318 3.120 20 0 CGADHM CSc1ccc([O-])c(C(=O)N(C)C(C2CC2)C2CC2)c1 ZINC000667626608 542900150 /nfs/dbraw/zinc/90/01/50/542900150.db2.gz ATXDSVLHQYZZLZ-UHFFFAOYSA-N -1 3 291.416 3.375 20 0 CGADHM CC(=O)c1ccc(C(=O)N2CCC[C@H]2C(C)(C)C)cc1[O-] ZINC000668263453 542999484 /nfs/dbraw/zinc/99/94/84/542999484.db2.gz SZPQRUSRCMBWGO-HNNXBMFYSA-N -1 3 289.375 3.246 20 0 CGADHM Cc1ccc([O-])c(CN2CCC(c3ccco3)CC2)n1 ZINC000668461889 543014820 /nfs/dbraw/zinc/01/48/20/543014820.db2.gz HJSQAWILBNCRGY-UHFFFAOYSA-N -1 3 272.348 3.068 20 0 CGADHM CCCCOc1ccc(C(=O)N2CCC[C@@H]3C[C@@H]32)c([O-])c1 ZINC000672133799 543200449 /nfs/dbraw/zinc/20/04/49/543200449.db2.gz OKLNHNATZRFNJU-DOMZBBRYSA-N -1 3 289.375 3.196 20 0 CGADHM CCCc1cc(C(=O)Nc2cc(Cl)cc(C)c2[O-])n[nH]1 ZINC000673853829 543256743 /nfs/dbraw/zinc/25/67/43/543256743.db2.gz JOKNSZOYPRBQMI-UHFFFAOYSA-N -1 3 293.754 3.282 20 0 CGADHM Cc1nc(C[N-]c2nc(-c3ccccc3)no2)cs1 ZINC000674064474 543266243 /nfs/dbraw/zinc/26/62/43/543266243.db2.gz ONHDESRFONQLLK-UHFFFAOYSA-N -1 3 272.333 3.114 20 0 CGADHM CCc1nc(C)c(C(=O)[N-]c2cnccc2SC)s1 ZINC000674258730 543278437 /nfs/dbraw/zinc/27/84/37/543278437.db2.gz YPWSPDFIVBPURH-UHFFFAOYSA-N -1 3 293.417 3.383 20 0 CGADHM CC[C@H](C(=O)[O-])N1CCc2oc(-c3ccccc3)cc2C1 ZINC000650500020 397858675 /nfs/dbraw/zinc/85/86/75/397858675.db2.gz LLXKNZJPNZDKLV-CQSZACIVSA-N -1 3 285.343 3.168 20 0 CGADHM C[C@@H](c1nc(-c2ccc3n[n-]nc3c2)no1)C1CCCC1 ZINC000650603672 397880214 /nfs/dbraw/zinc/88/02/14/397880214.db2.gz XIVHXHRWICSMGJ-SECBINFHSA-N -1 3 283.335 3.302 20 0 CGADHM CC(C)c1ccc(C(=O)N2CC(C(C)C)C2)c([O-])c1 ZINC000677128117 543434395 /nfs/dbraw/zinc/43/43/95/543434395.db2.gz OFUNAYRGMXZCHG-UHFFFAOYSA-N -1 3 261.365 3.244 20 0 CGADHM O=C(Nc1cccc([O-])c1F)c1c[nH]c(-c2ccccc2)n1 ZINC000677801414 543466214 /nfs/dbraw/zinc/46/62/14/543466214.db2.gz PEUCSSCKWMRUOU-UHFFFAOYSA-N -1 3 297.289 3.174 20 0 CGADHM CC(C)c1ccc(C(=O)NC2C[C@H](C)O[C@@H](C)C2)c([O-])c1 ZINC000678155614 543489153 /nfs/dbraw/zinc/48/91/53/543489153.db2.gz YGROWIRXZWZOHF-RYUDHWBXSA-N -1 3 291.391 3.201 20 0 CGADHM Cc1ccc(CCCNC(=O)c2c([O-])cccc2O)c(C)c1 ZINC000678343482 543516844 /nfs/dbraw/zinc/51/68/44/543516844.db2.gz JVJNLWFVJDXRMX-UHFFFAOYSA-N -1 3 299.370 3.077 20 0 CGADHM Cc1ccc2[n-]cc(C(=O)N3CCC4(CCC4)C3)c(=O)c2c1 ZINC000273278724 292394402 /nfs/dbraw/zinc/39/44/02/292394402.db2.gz WFOKODJAXTZUSH-UHFFFAOYSA-N -1 3 296.370 3.265 20 0 CGADHM Cc1cccc(C(=O)N[C@H]2CCCOc3ccccc32)c1[O-] ZINC000303122527 292427574 /nfs/dbraw/zinc/42/75/74/292427574.db2.gz QDMLEYSHCXYELS-HNNXBMFYSA-N -1 3 297.354 3.344 20 0 CGADHM CC[C@@H](C)[C@H]1CCCCN1C(=O)c1ccc(O)cc1[O-] ZINC000265614616 286812541 /nfs/dbraw/zinc/81/25/41/286812541.db2.gz LXEHEJIMNYMNAX-BXUZGUMPSA-N -1 3 277.364 3.139 20 0 CGADHM Cc1ccccc1CN(C)C(=O)c1cccc(C)c1[O-] ZINC000042255398 286893676 /nfs/dbraw/zinc/89/36/76/286893676.db2.gz BZGWGKUJTDIRKP-UHFFFAOYSA-N -1 3 269.344 3.281 20 0 CGADHM Cc1ccc(C(=O)N[C@@H](C)Cc2ccsc2)c([O-])c1 ZINC000048482110 286906488 /nfs/dbraw/zinc/90/64/88/286906488.db2.gz NVVWDGKMDPFKGQ-NSHDSACASA-N -1 3 275.373 3.123 20 0 CGADHM Cc1cccc(C(=O)Nc2cc(F)c(F)c(F)c2)c1[O-] ZINC000061120411 286957344 /nfs/dbraw/zinc/95/73/44/286957344.db2.gz KRVFHNPDIADISA-UHFFFAOYSA-N -1 3 281.233 3.370 20 0 CGADHM COc1ccc(NC(=O)c2cc(C)ccc2[O-])c(C)c1 ZINC000061568543 286958594 /nfs/dbraw/zinc/95/85/94/286958594.db2.gz GRPCDCITILUHQR-UHFFFAOYSA-N -1 3 271.316 3.270 20 0 CGADHM CC[C@H]1CCCN(C(=O)c2cccc(C)c2[O-])CC1 ZINC000079053024 287053264 /nfs/dbraw/zinc/05/32/64/287053264.db2.gz AGFSULACQJHHDB-ZDUSSCGKSA-N -1 3 261.365 3.353 20 0 CGADHM CC[C@@H](NC(=O)c1cc(C)ccc1[O-])c1nccs1 ZINC000080305592 287064472 /nfs/dbraw/zinc/06/44/72/287064472.db2.gz QCQDRRBEBLVVLG-LLVKDONJSA-N -1 3 276.361 3.038 20 0 CGADHM CCc1onc(C)c1[N-]C(=O)c1ccc(F)cc1F ZINC000089409405 287089538 /nfs/dbraw/zinc/08/95/38/287089538.db2.gz YROYLFBYTAQVNY-UHFFFAOYSA-N -1 3 266.247 3.076 20 0 CGADHM CCc1onc(C)c1[N-]C(=O)c1cc(F)cc(F)c1 ZINC000089397615 287089197 /nfs/dbraw/zinc/08/91/97/287089197.db2.gz XRZCIMJGVVGTMU-UHFFFAOYSA-N -1 3 266.247 3.076 20 0 CGADHM O=C(Cc1c[nH]c2ccccc12)Nc1ccc([O-])cc1F ZINC000070333230 165058384 /nfs/dbraw/zinc/05/83/84/165058384.db2.gz BUMCPLWSYGYKDP-UHFFFAOYSA-N -1 3 284.290 3.194 20 0 CGADHM Cc1noc([N-]C(=O)c2sc(C3CCCC3)nc2C)n1 ZINC000079665476 165146083 /nfs/dbraw/zinc/14/60/83/165146083.db2.gz KQQAKFCKUHNOAV-UHFFFAOYSA-N -1 3 292.364 3.053 20 0 CGADHM COc1ccc(F)cc1CN[C@@H](C)CCC[C@H](C)C(=O)[O-] ZINC000087678204 165191324 /nfs/dbraw/zinc/19/13/24/165191324.db2.gz RGBUQNXLIOGKKH-RYUDHWBXSA-N -1 3 297.370 3.203 20 0 CGADHM COc1cc(C(=O)[N-]c2ccc(Cl)cc2Cl)on1 ZINC000090706779 287104604 /nfs/dbraw/zinc/10/46/04/287104604.db2.gz GCTUTXUCPLFUTO-UHFFFAOYSA-N -1 3 287.102 3.242 20 0 CGADHM CCN(Cc1nc(C)ccc1[O-])[C@@H](C)c1cccc(O)c1 ZINC000091974896 165278219 /nfs/dbraw/zinc/27/82/19/165278219.db2.gz NCHCGYPDTQGESI-ZDUSSCGKSA-N -1 3 286.375 3.384 20 0 CGADHM Cc1ccc([O-])c(CN2C[C@H](C)OC[C@@H]2c2ccccc2)n1 ZINC000093660610 165333933 /nfs/dbraw/zinc/33/39/33/165333933.db2.gz RZLKAQTYUZFGLB-WMLDXEAASA-N -1 3 298.386 3.058 20 0 CGADHM [O-]c1ccccc1-c1nc(CCc2ccccc2)no1 ZINC000109037666 287127495 /nfs/dbraw/zinc/12/74/95/287127495.db2.gz JCOISWIBEOHRPN-UHFFFAOYSA-N -1 3 266.300 3.227 20 0 CGADHM O=C(N[C@H]1CCC[C@H]1c1ccccc1)c1ccc(O)cc1[O-] ZINC000110571144 287131630 /nfs/dbraw/zinc/13/16/30/287131630.db2.gz RDONODFMDMQIFP-HOCLYGCPSA-N -1 3 297.354 3.164 20 0 CGADHM [O-]c1cc2ccccc2cc1-c1nc(-c2cnccn2)no1 ZINC000109037455 287127648 /nfs/dbraw/zinc/12/76/48/287127648.db2.gz VLXAJLPNZULNMF-UHFFFAOYSA-N -1 3 290.282 3.052 20 0 CGADHM CC[C@@H](Cc1ccccc1)NC(=O)c1cccc([O-])c1 ZINC000182321586 165699162 /nfs/dbraw/zinc/69/91/62/165699162.db2.gz ZUSUGXNLQGGEBL-HNNXBMFYSA-N -1 3 269.344 3.143 20 0 CGADHM Cc1ccc(NC(=O)COc2ccc(C)c(C)c2)c([O-])c1 ZINC000008378297 170333884 /nfs/dbraw/zinc/33/38/84/170333884.db2.gz WRXQLSFKOITONC-UHFFFAOYSA-N -1 3 285.343 3.335 20 0 CGADHM CC[C@@H]1CCCCN1Cc1cc(C(=O)[O-])c(C)o1 ZINC000035432249 172200493 /nfs/dbraw/zinc/20/04/93/172200493.db2.gz QPLXCUAZNBAZNU-LLVKDONJSA-N -1 3 251.326 3.051 20 0 CGADHM CCc1cc(C(=O)NCc2ccc([O-])c(F)c2)oc1CC ZINC000127146309 287281877 /nfs/dbraw/zinc/28/18/77/287281877.db2.gz KKMLFUWBBNNIRQ-UHFFFAOYSA-N -1 3 291.322 3.179 20 0 CGADHM COc1ccc(Cl)cc1C(=O)Nc1cccc([O-])c1F ZINC000128271829 287307268 /nfs/dbraw/zinc/30/72/68/287307268.db2.gz VWTALALMKUEONI-UHFFFAOYSA-N -1 3 295.697 3.446 20 0 CGADHM CCc1oc(C(=O)Nc2cccc([O-])c2F)cc1C ZINC000128443927 287311168 /nfs/dbraw/zinc/31/11/68/287311168.db2.gz BKERXJQDOJBBEP-UHFFFAOYSA-N -1 3 263.268 3.247 20 0 CGADHM Cc1ccc([N-]S(=O)(=O)c2cc(F)ccc2C)c(F)c1 ZINC000048653202 416456151 /nfs/dbraw/zinc/45/61/51/416456151.db2.gz NJNYFVXFLYRCLY-UHFFFAOYSA-N -1 3 297.326 3.382 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2cccc(-c3nnco3)c2)c1 ZINC000130084201 416514017 /nfs/dbraw/zinc/51/40/17/416514017.db2.gz BHTDVUTZUGTNJA-UHFFFAOYSA-N -1 3 295.298 3.003 20 0 CGADHM O=C([O-])C[C@@H]1CCCCN1Cc1cccc(C(F)F)c1 ZINC000132291320 416515132 /nfs/dbraw/zinc/51/51/32/416515132.db2.gz ZTCMOZMFZLDEJX-ZDUSSCGKSA-N -1 3 283.318 3.453 20 0 CGADHM CCC[C@H](C)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736425267 572789157 /nfs/dbraw/zinc/78/91/57/572789157.db2.gz VCXVQRFIIFAAQQ-QMMMGPOBSA-N -1 3 265.748 3.121 20 0 CGADHM CCC[C@H](C)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736425267 572789162 /nfs/dbraw/zinc/78/91/62/572789162.db2.gz VCXVQRFIIFAAQQ-QMMMGPOBSA-N -1 3 265.748 3.121 20 0 CGADHM Cc1cccc([O-])c1NC(=O)C[C@H](C)c1ccncc1 ZINC000679319671 543616783 /nfs/dbraw/zinc/61/67/83/543616783.db2.gz UJHZSUUVKMTCKR-LBPRGKRZSA-N -1 3 270.332 3.228 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CCc3ccsc3C2)c1 ZINC000130281274 287350180 /nfs/dbraw/zinc/35/01/80/287350180.db2.gz XPAZSLYGHGZTJE-UHFFFAOYSA-N -1 3 287.384 3.215 20 0 CGADHM Cc1cc(C(=O)[N-]c2nc(-c3ccccc3F)co2)no1 ZINC000366876577 225155974 /nfs/dbraw/zinc/15/59/74/225155974.db2.gz KRXHPUVELXMYNK-UHFFFAOYSA-N -1 3 287.250 3.029 20 0 CGADHM Cc1ccc([O-])c(CNc2cccc3ccncc32)n1 ZINC000131420110 287379087 /nfs/dbraw/zinc/37/90/87/287379087.db2.gz SUOGCMXTHBNIMN-UHFFFAOYSA-N -1 3 265.316 3.256 20 0 CGADHM CCC(=O)c1cccc(NC(=O)c2cccc(OC)c2[O-])c1 ZINC000132175433 287398921 /nfs/dbraw/zinc/39/89/21/287398921.db2.gz VHHOILXGWJOBCX-UHFFFAOYSA-N -1 3 299.326 3.246 20 0 CGADHM Cc1ccc([O-])c(NC(=O)Cc2cc3ccccc3o2)n1 ZINC000684064088 543963550 /nfs/dbraw/zinc/96/35/50/543963550.db2.gz RCXBSLCTGJBIIF-UHFFFAOYSA-N -1 3 282.299 3.023 20 0 CGADHM O=C([N-]c1nc(-c2ccccc2F)co1)c1nccs1 ZINC000684614559 544019811 /nfs/dbraw/zinc/01/98/11/544019811.db2.gz ZVPYPWQJJPGIFT-UHFFFAOYSA-N -1 3 289.291 3.190 20 0 CGADHM CCc1cccc(NC(=O)c2[n-]nc3c2cccc3OC)c1 ZINC000685188126 544054927 /nfs/dbraw/zinc/05/49/27/544054927.db2.gz AXLQTWQZZYRSHN-UHFFFAOYSA-N -1 3 295.342 3.386 20 0 CGADHM CCc1cccc(NC(=O)c2n[n-]c3c2cccc3OC)c1 ZINC000685188126 544054929 /nfs/dbraw/zinc/05/49/29/544054929.db2.gz AXLQTWQZZYRSHN-UHFFFAOYSA-N -1 3 295.342 3.386 20 0 CGADHM CC(C)c1cc(CNC(=O)c2cc([O-])ccc2Cl)on1 ZINC000685740122 544096129 /nfs/dbraw/zinc/09/61/29/544096129.db2.gz YQUOEUFXWOIMPQ-UHFFFAOYSA-N -1 3 294.738 3.087 20 0 CGADHM C[C@H]1CCCN(C(=O)c2cc([O-])ccc2Cl)[C@H]1C ZINC000235617002 299828950 /nfs/dbraw/zinc/82/89/50/299828950.db2.gz PHOKLWAPLYGDKZ-UWVGGRQHSA-N -1 3 267.756 3.306 20 0 CGADHM CCC[C@H](NC(=O)c1cc(=O)[n-]c(C2CC2)n1)C(C)(C)C ZINC000655126910 419022852 /nfs/dbraw/zinc/02/28/52/419022852.db2.gz CYZMEGGNWQYXPT-LBPRGKRZSA-N -1 3 291.395 3.004 20 0 CGADHM Cc1c2cccc(C)c2oc1CN(C)[C@@H](C(=O)[O-])C1CC1 ZINC000652511221 418977815 /nfs/dbraw/zinc/97/78/15/418977815.db2.gz RMLSQSQEFDGIPT-OAHLLOKOSA-N -1 3 287.359 3.345 20 0 CGADHM Cc1ccc2ncc(C(=O)[O-])c(N3CC[C@H]4C[C@H]4C3)c2c1 ZINC000659786492 418989596 /nfs/dbraw/zinc/98/95/96/418989596.db2.gz OSJVSWKDIALCPN-RYUDHWBXSA-N -1 3 282.343 3.088 20 0 CGADHM CC[C@H]1CN(C(=O)c2ccc(C(C)C)cc2[O-])[C@H](C)CO1 ZINC000652771484 418991399 /nfs/dbraw/zinc/99/13/99/418991399.db2.gz APPOXYWVGQVQOZ-OCCSQVGLSA-N -1 3 291.391 3.155 20 0 CGADHM CC(C)OCCCN(C)Cc1ccc(C(=O)[O-])c(Cl)c1 ZINC000659797317 418993518 /nfs/dbraw/zinc/99/35/18/418993518.db2.gz JHFNSQYWNQGSED-UHFFFAOYSA-N -1 3 299.798 3.285 20 0 CGADHM CC[C@@H](NCc1nc(C)ccc1[O-])c1ccccc1F ZINC000655805074 419101094 /nfs/dbraw/zinc/10/10/94/419101094.db2.gz BCYORJCRYSRYLG-CQSZACIVSA-N -1 3 274.339 3.476 20 0 CGADHM [O-]c1cccc(CN[C@H](C2CC2)[C@H]2CCCCO2)c1Cl ZINC000655811355 419102865 /nfs/dbraw/zinc/10/28/65/419102865.db2.gz HEVPITUDFAPDRI-GDBMZVCRSA-N -1 3 295.810 3.483 20 0 CGADHM O=C([O-])CCC1CCN(C/C=C/c2ccc(F)cc2)CC1 ZINC000665342709 419113150 /nfs/dbraw/zinc/11/31/50/419113150.db2.gz LADLZCOXJCSCKO-OWOJBTEDSA-N -1 3 291.366 3.416 20 0 CGADHM C[C@H](NCc1cccc(F)c1F)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656097629 419140676 /nfs/dbraw/zinc/14/06/76/419140676.db2.gz ASXZKKMVKSBTSZ-ZMLRMANQSA-N -1 3 297.345 3.190 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CC[C@@H](C3CCC3)C2)c1 ZINC000665679082 419148203 /nfs/dbraw/zinc/14/82/03/419148203.db2.gz HZYXETMEMGPIBX-CQSZACIVSA-N -1 3 273.376 3.217 20 0 CGADHM CCC(C)(C)NC(=O)c1cc(SC)ccc1[O-] ZINC000665915391 419170745 /nfs/dbraw/zinc/17/07/45/419170745.db2.gz GDEOXXFRXXARPG-UHFFFAOYSA-N -1 3 253.367 3.033 20 0 CGADHM CCc1ccc(NC(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000151382255 287512635 /nfs/dbraw/zinc/51/26/35/287512635.db2.gz KDYLWDFDPOGOTJ-UHFFFAOYSA-N -1 3 288.322 3.415 20 0 CGADHM C[C@H]1CC[C@H](C(=O)[O-])CN1CCCc1c(F)cccc1F ZINC000655931139 419127290 /nfs/dbraw/zinc/12/72/90/419127290.db2.gz WKMITMYESLJSCO-RYUDHWBXSA-N -1 3 297.345 3.083 20 0 CGADHM [O-]c1ccc(-c2noc([C@@H]3CCC[C@@H]4C[C@@H]43)n2)cc1 ZINC000656745638 419207174 /nfs/dbraw/zinc/20/71/74/419207174.db2.gz CZBJCKLCUZGPHY-RTXFEEFZSA-N -1 3 256.305 3.346 20 0 CGADHM O=C(Nc1ccc(Br)cc1[O-])[C@H]1C[C@H]2C[C@H]2C1 ZINC000666329017 419209450 /nfs/dbraw/zinc/20/94/50/419209450.db2.gz BZFWEEGKRQMYNK-BRPSZJMVSA-N -1 3 296.164 3.139 20 0 CGADHM CN(Cc1oncc1C(=O)[O-])C1CC(C)(C)CC(C)(C)C1 ZINC000656761306 419212954 /nfs/dbraw/zinc/21/29/54/419212954.db2.gz NTLJSLITAIWNBB-UHFFFAOYSA-N -1 3 294.395 3.410 20 0 CGADHM O=C([O-])[C@@H]1CCN(CC2=CCCC2)[C@@H]2CCCC[C@@H]12 ZINC000656769077 419213337 /nfs/dbraw/zinc/21/33/37/419213337.db2.gz YBDUTWQYLZEFOU-RRFJBIMHSA-N -1 3 263.381 3.062 20 0 CGADHM O=C([O-])c1cccc(CN2CCC[C@@H]2c2ccc(O)cc2)c1 ZINC000666573417 419226883 /nfs/dbraw/zinc/22/68/83/419226883.db2.gz NBSNVGBLHXIBAB-QGZVFWFLSA-N -1 3 297.354 3.428 20 0 CGADHM CCN(Cc1cc(Cl)ccc1Cl)[C@H](C)C(=O)[O-] ZINC000662213947 419363703 /nfs/dbraw/zinc/36/37/03/419363703.db2.gz BUIRATPZVCJJCT-MRVPVSSYSA-N -1 3 276.163 3.288 20 0 CGADHM C[C@H](O)[C@H](NCc1cccc([O-])c1Cl)c1ccccc1 ZINC000657815985 419366428 /nfs/dbraw/zinc/36/64/28/419366428.db2.gz IXBPEFZJOKHWJG-ZBEGNZNMSA-N -1 3 291.778 3.257 20 0 CGADHM CC(=O)c1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2C)cc1[O-] ZINC000663132768 419517576 /nfs/dbraw/zinc/51/75/76/419517576.db2.gz UVNXGTDOOOMZFZ-ABAIWWIYSA-N -1 3 289.375 3.246 20 0 CGADHM CCc1ccc(NC(=O)c2n[n-]nc2-c2ccccc2)cc1 ZINC000188867960 287563124 /nfs/dbraw/zinc/56/31/24/287563124.db2.gz MEYGBHYPTYBXSB-UHFFFAOYSA-N -1 3 292.342 3.286 20 0 CGADHM CO[C@@H](C)c1cccc(NC(=O)/C=C/c2cncc([O-])c2)c1 ZINC000179473903 260050919 /nfs/dbraw/zinc/05/09/19/260050919.db2.gz VRIRXDYWCLDWKK-SYTKJHMZSA-N -1 3 298.342 3.147 20 0 CGADHM O=C(CCCc1ccc([O-])c(F)c1)N1C2CCC1CC2 ZINC000526044864 260123855 /nfs/dbraw/zinc/12/38/55/260123855.db2.gz IZUMRBKKSJRGHQ-UHFFFAOYSA-N -1 3 277.339 3.007 20 0 CGADHM Cc1cc(C(=O)N2CCC[C@@H]2c2ccncc2)ccc1[O-] ZINC000272463950 263004699 /nfs/dbraw/zinc/00/46/99/263004699.db2.gz OXLBDTINXRCNIC-OAHLLOKOSA-N -1 3 282.343 3.073 20 0 CGADHM CC[C@H](NC(=O)c1ccccc1[O-])c1cccs1 ZINC000042350908 270032694 /nfs/dbraw/zinc/03/26/94/270032694.db2.gz TYLKQVILPYBXPI-NSHDSACASA-N -1 3 261.346 3.335 20 0 CGADHM COc1cccc(C(=O)Nc2cccc(F)c2C)c1[O-] ZINC000043322350 270034229 /nfs/dbraw/zinc/03/42/29/270034229.db2.gz GTOKPJORBSIKIE-UHFFFAOYSA-N -1 3 275.279 3.101 20 0 CGADHM Cc1ccc(C(=O)N2CCC[C@@H]2C2CCCC2)c([O-])c1 ZINC000044352577 270035736 /nfs/dbraw/zinc/03/57/36/270035736.db2.gz AFQDELDSJYDVKU-OAHLLOKOSA-N -1 3 273.376 3.495 20 0 CGADHM [O-]c1cc(F)cc(CNCc2coc(-c3ccccc3)n2)c1 ZINC000185553802 270063364 /nfs/dbraw/zinc/06/33/64/270063364.db2.gz UOONEHMPHCHOFY-UHFFFAOYSA-N -1 3 298.317 3.476 20 0 CGADHM CC(C)[C@@]1(C)C[C@@H]1C(=O)Nc1cccc([O-])c1F ZINC000186590837 270066568 /nfs/dbraw/zinc/06/65/68/270066568.db2.gz WTULQOJFIGQDFY-YMTOWFKASA-N -1 3 251.301 3.152 20 0 CGADHM O=C(NCc1ccc([O-])c(F)c1)c1csc(Cl)c1 ZINC000188450934 270069515 /nfs/dbraw/zinc/06/95/15/270069515.db2.gz PKGUQXMRUIPCSX-UHFFFAOYSA-N -1 3 285.727 3.176 20 0 CGADHM Cc1ccc(NC(=O)[C@@H]2CCCc3c(O)cccc32)c([O-])c1 ZINC000190004856 270072649 /nfs/dbraw/zinc/07/26/49/270072649.db2.gz PKWKSDLBCHBPGV-CQSZACIVSA-N -1 3 297.354 3.465 20 0 CGADHM CCCNc1ccccc1NC(=O)/C=C/c1cncc([O-])c1 ZINC000190159051 270073146 /nfs/dbraw/zinc/07/31/46/270073146.db2.gz DYSUGUUOPFTVTK-BQYQJAHWSA-N -1 3 297.358 3.261 20 0 CGADHM CCSc1cccc(NC(=O)[N-]c2cnns2)c1 ZINC000192366523 270077286 /nfs/dbraw/zinc/07/72/86/270077286.db2.gz ZQHMELWDNOIJLQ-UHFFFAOYSA-N -1 3 280.378 3.294 20 0 CGADHM C[C@H]1CN(Cc2cccc([O-])c2Br)C[C@@H]1C ZINC000316202465 270092771 /nfs/dbraw/zinc/09/27/71/270092771.db2.gz VEGDRZHQWLHKLR-UWVGGRQHSA-N -1 3 284.197 3.243 20 0 CGADHM [O-]c1cc2ccccc2cc1-c1nc(-c2ccncn2)no1 ZINC000316565956 270093144 /nfs/dbraw/zinc/09/31/44/270093144.db2.gz FVCILSXGKCMIEY-UHFFFAOYSA-N -1 3 290.282 3.052 20 0 CGADHM C[C@]1(c2ccccc2)CCN(Cc2occc2C(=O)[O-])C1 ZINC000521634809 270102669 /nfs/dbraw/zinc/10/26/69/270102669.db2.gz WGFQHKMDZNKPPQ-KRWDZBQOSA-N -1 3 285.343 3.141 20 0 CGADHM CCc1ccc([O-])c(C(=O)NCc2ccc(COC)cc2)c1 ZINC000523319440 270108489 /nfs/dbraw/zinc/10/84/89/270108489.db2.gz FZPHKGSTDYRICQ-UHFFFAOYSA-N -1 3 299.370 3.031 20 0 CGADHM Cc1cccc(C(=O)Nc2cccc3c2ccn3C)c1[O-] ZINC000524276343 270112292 /nfs/dbraw/zinc/11/22/92/270112292.db2.gz HXEXETNJFUYTIS-UHFFFAOYSA-N -1 3 280.327 3.445 20 0 CGADHM COc1ccc([O-])c(C(=O)Nc2cccc3c2ccn3C)c1 ZINC000524276293 270112323 /nfs/dbraw/zinc/11/23/23/270112323.db2.gz FDAJFQSCZNOOLY-UHFFFAOYSA-N -1 3 296.326 3.145 20 0 CGADHM CC1(C)C[C@H](C(=O)Nc2cccc([O-])c2F)C(C)(C)O1 ZINC000528915383 270175842 /nfs/dbraw/zinc/17/58/42/270175842.db2.gz CFSPALFXHVQYOG-SECBINFHSA-N -1 3 281.327 3.064 20 0 CGADHM Cc1ccc([O-])c(C(=O)N[C@@H]2C[C@H]2c2ccsc2)c1 ZINC000529993433 270192343 /nfs/dbraw/zinc/19/23/43/270192343.db2.gz CWPOWUFSUPWUTK-WCQYABFASA-N -1 3 273.357 3.048 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)[C@H]2CC2(C)C)c1-c1ccc(C)cc1 ZINC000530271951 270198324 /nfs/dbraw/zinc/19/83/24/270198324.db2.gz HPEWSNOIUIXADZ-CYBMUJFWSA-N -1 3 283.375 3.100 20 0 CGADHM CC(F)(F)C(=O)[N-][C@H]1CCSc2c(F)cccc21 ZINC000288590906 276093992 /nfs/dbraw/zinc/09/39/92/276093992.db2.gz OPDWBXQNKBTIDA-VIFPVBQESA-N -1 3 275.295 3.134 20 0 CGADHM CC(=O)c1ccc(C(=O)N2C[C@H](C)CCC[C@H]2C)cc1[O-] ZINC000408468872 277109107 /nfs/dbraw/zinc/10/91/07/277109107.db2.gz RQCPSRIIQAMXFT-VXGBXAGGSA-N -1 3 289.375 3.246 20 0 CGADHM CC1(C)CN(Cc2cc([O-])cc(C(F)(F)F)c2)CCO1 ZINC000356055039 278336666 /nfs/dbraw/zinc/33/66/66/278336666.db2.gz KXIXGVWGYJXOAI-UHFFFAOYSA-N -1 3 289.297 3.022 20 0 CGADHM Cc1csc(Cl)c1[N-]C(=O)c1noc2c1COCC2 ZINC000527613491 288175583 /nfs/dbraw/zinc/17/55/83/288175583.db2.gz QWSGYJMYKRRTKU-UHFFFAOYSA-N -1 3 298.751 3.023 20 0 CGADHM CC1(C)CC[C@@H](NC(=O)c2cc([O-])ccc2Cl)C1 ZINC000232800879 281111252 /nfs/dbraw/zinc/11/12/52/281111252.db2.gz AZOJTBRKYPDIHD-SECBINFHSA-N -1 3 267.756 3.354 20 0 CGADHM CC1(C)CN(C(=O)c2ccccc2[O-])[C@H]2CCC[C@@H]21 ZINC000294756511 281223988 /nfs/dbraw/zinc/22/39/88/281223988.db2.gz MZAXKVMLSNFSTP-STQMWFEESA-N -1 3 259.349 3.043 20 0 CGADHM CCc1ccc(C(=O)N2CCC[C@H](C)CC2)c([O-])c1 ZINC000190571991 281395459 /nfs/dbraw/zinc/39/54/59/281395459.db2.gz VMALYCLKVHHDAM-LBPRGKRZSA-N -1 3 261.365 3.217 20 0 CGADHM CCO[C@@H](CC)C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000536219124 288475882 /nfs/dbraw/zinc/47/58/82/288475882.db2.gz IIBDDWSXYNKWNP-NSHDSACASA-N -1 3 271.744 3.108 20 0 CGADHM Cc1cc(C(=O)Nc2cccc3cc[nH]c32)ccc1[O-] ZINC000548474797 289007762 /nfs/dbraw/zinc/00/77/62/289007762.db2.gz LCZDJCMXSIGXQW-UHFFFAOYSA-N -1 3 266.300 3.434 20 0 CGADHM O=S(=O)(Cc1cccc(Cl)c1)[N-]c1ccsc1 ZINC000549723200 289051552 /nfs/dbraw/zinc/05/15/52/289051552.db2.gz MFVMTNLWMBUHBN-UHFFFAOYSA-N -1 3 287.793 3.343 20 0 CGADHM CCc1ccccc1CC(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000552069093 289159226 /nfs/dbraw/zinc/15/92/26/289159226.db2.gz BCJQVWCSURHVOM-UHFFFAOYSA-N -1 3 297.354 3.338 20 0 CGADHM O=C(COc1ccccc1)Nc1c([O-])cccc1Cl ZINC000552436734 289189374 /nfs/dbraw/zinc/18/93/74/289189374.db2.gz UTEXCAOPCUMNCI-UHFFFAOYSA-N -1 3 277.707 3.063 20 0 CGADHM CCc1cc(C(=O)N[C@H]2CCCC[C@H]2C)ccc1[O-] ZINC000552830647 289199850 /nfs/dbraw/zinc/19/98/50/289199850.db2.gz ITNYVGMERBWHBF-RISCZKNCSA-N -1 3 261.365 3.263 20 0 CGADHM CCc1cccc(C(=O)N2CCCC[C@@H]2C(F)F)c1[O-] ZINC000558643119 289509126 /nfs/dbraw/zinc/50/91/26/289509126.db2.gz POCDQYSOVZVJSJ-GFCCVEGCSA-N -1 3 283.318 3.214 20 0 CGADHM Cc1cccc(N(C)C(=O)c2cc([O-])ccc2Cl)n1 ZINC000559882231 289558908 /nfs/dbraw/zinc/55/89/08/289558908.db2.gz OZNIRVDGOCNNJY-UHFFFAOYSA-N -1 3 276.723 3.026 20 0 CGADHM CCc1cc(C(=O)NCc2ccccc2C)ccc1[O-] ZINC000561075396 289624275 /nfs/dbraw/zinc/62/42/75/289624275.db2.gz IULTUHCERMAVGD-UHFFFAOYSA-N -1 3 269.344 3.193 20 0 CGADHM Cc1n[nH]c(C)c1[C@H](C)CC(=O)Nc1cccc([O-])c1F ZINC000562823401 289736799 /nfs/dbraw/zinc/73/67/99/289736799.db2.gz JCLBLAPCEDTLSA-MRVPVSSYSA-N -1 3 291.326 3.004 20 0 CGADHM C[C@H](Oc1cccc(F)c1)C(=O)Nc1ccc([O-])cc1F ZINC000183281810 290183309 /nfs/dbraw/zinc/18/33/09/290183309.db2.gz BLXHQMYBULDIKX-VIFPVBQESA-N -1 3 293.269 3.076 20 0 CGADHM C[C@H]1CC(C)(C)CC[C@@H]1[N-]S(=O)(=O)c1cccs1 ZINC000484774323 290336994 /nfs/dbraw/zinc/33/69/94/290336994.db2.gz DGGHATGFJSKSEY-QWRGUYRKSA-N -1 3 287.450 3.241 20 0 CGADHM C[C@H](CCC(=O)[O-])NCc1c(Cl)oc2ccccc21 ZINC000417608043 298369147 /nfs/dbraw/zinc/36/91/47/298369147.db2.gz IDOODCUKVWVLPV-SECBINFHSA-N -1 3 281.739 3.429 20 0 CGADHM C[C@H]1Cc2ccccc2N(C(=O)c2cccc([O-])c2)C1 ZINC000105569981 300546725 /nfs/dbraw/zinc/54/67/25/300546725.db2.gz FVUDRRLBURUSFM-LBPRGKRZSA-N -1 3 267.328 3.231 20 0 CGADHM Cc1cccc(C(=O)Nc2c3c(nn2C(C)C)CCC3)c1[O-] ZINC000436858645 301957991 /nfs/dbraw/zinc/95/79/91/301957991.db2.gz UWJTWHKBORSSTK-UHFFFAOYSA-N -1 3 299.374 3.219 20 0 CGADHM Cc1nc2ccccc2c(N(C)C[C@H](C)C(=O)[O-])c1C ZINC000263562349 302665499 /nfs/dbraw/zinc/66/54/99/302665499.db2.gz SOZQYKGSQCTYAM-JTQLQIEISA-N -1 3 272.348 3.009 20 0 CGADHM O=C(Nc1ccc(Cl)cc1[O-])c1ccc2c(c1)OCO2 ZINC000153505031 321721101 /nfs/dbraw/zinc/72/11/01/321721101.db2.gz QZKPDBXIKFTCHK-UHFFFAOYSA-N -1 3 291.690 3.027 20 0 CGADHM C[C@@H]1C[C@H](C)CN1Cc1cc(C(=O)[O-])ccc1Cl ZINC000565103313 322060260 /nfs/dbraw/zinc/06/02/60/322060260.db2.gz DZZGDPNLKSWPBM-VHSXEESVSA-N -1 3 267.756 3.269 20 0 CGADHM C[C@H](CN(C)Cc1ccc(C(=O)[O-])o1)c1ccccc1 ZINC000565103920 322060584 /nfs/dbraw/zinc/06/05/84/322060584.db2.gz LNENZTAPNGSRMH-GFCCVEGCSA-N -1 3 273.332 3.213 20 0 CGADHM CCC[C@H]1CCCC[C@@H]1CNC(=O)Cc1cncc([O-])c1 ZINC000565435347 322077711 /nfs/dbraw/zinc/07/77/11/322077711.db2.gz ZROJOTOQGZCUSD-LSDHHAIUSA-N -1 3 290.407 3.052 20 0 CGADHM C[C@@H](c1ccco1)N(CC1(CC(=O)[O-])CC1)C1CC1 ZINC000566359469 322118064 /nfs/dbraw/zinc/11/80/64/322118064.db2.gz WKKWRKSKVDIXNV-NSHDSACASA-N -1 3 263.337 3.060 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)C[C@@H]2C[C@@H]2C)c1[O-] ZINC000566709708 322135400 /nfs/dbraw/zinc/13/54/00/322135400.db2.gz KSRMCOFGYRLCJB-CBAPKCEASA-N -1 3 253.729 3.339 20 0 CGADHM O=C([O-])c1ccoc1CN1CCC[C@@]2(CC=CCC2)C1 ZINC000567055339 322148574 /nfs/dbraw/zinc/14/85/74/322148574.db2.gz WTXKUTBIPDEUDE-INIZCTEOSA-N -1 3 275.348 3.300 20 0 CGADHM CCO[C@H]1C[C@H](N(C)Cc2csc(C(=O)[O-])c2)C1(C)C ZINC000567595379 322169641 /nfs/dbraw/zinc/16/96/41/322169641.db2.gz FRZYSABORDZOOY-STQMWFEESA-N -1 3 297.420 3.082 20 0 CGADHM C[C@@H]1C[C@H](C)CN1CCOc1ccc(C(=O)[O-])cc1Cl ZINC000568281208 322203075 /nfs/dbraw/zinc/20/30/75/322203075.db2.gz CMQLTJUKRUANNT-WDEREUQCSA-N -1 3 297.782 3.147 20 0 CGADHM CC[C@@H](c1ccccc1)N(CC(=O)[O-])Cc1cnccc1C ZINC000569259822 322241288 /nfs/dbraw/zinc/24/12/88/322241288.db2.gz GWVSUOPSNAWICF-KRWDZBQOSA-N -1 3 298.386 3.428 20 0 CGADHM C[C@H](c1ncc(C(C)(C)C)o1)N1C[C@@H](C)[C@@](C)(C(=O)[O-])C1 ZINC000569612257 322251930 /nfs/dbraw/zinc/25/19/30/322251930.db2.gz UQAZIGIOMYPBBN-UVWXRNBGSA-N -1 3 294.395 3.076 20 0 CGADHM Cc1ccccc1CN(C)Cc1ccc(OCC(=O)[O-])cc1 ZINC000569935389 322261102 /nfs/dbraw/zinc/26/11/02/322261102.db2.gz QEGMLZWQPPFGIO-UHFFFAOYSA-N -1 3 299.370 3.090 20 0 CGADHM CCC[C@@H]1C[C@H]1C(=O)Nc1c([O-])cccc1Cl ZINC000570174475 322267131 /nfs/dbraw/zinc/26/71/31/322267131.db2.gz BETQNOOXQYNGHD-RKDXNWHRSA-N -1 3 253.729 3.420 20 0 CGADHM CCC1(CC)[C@H](N(C)Cc2ccc(C(=O)[O-])o2)C[C@@H]1OC ZINC000570221000 322267994 /nfs/dbraw/zinc/26/79/94/322267994.db2.gz YTZRIUNSWLSYEO-KGLIPLIRSA-N -1 3 295.379 3.003 20 0 CGADHM Cc1oc(CN(C2CC2)C2CCCC2)cc1C(=O)[O-] ZINC000570575612 322277091 /nfs/dbraw/zinc/27/70/91/322277091.db2.gz WTJVSXRYNKBHNV-UHFFFAOYSA-N -1 3 263.337 3.193 20 0 CGADHM CCC[C@@H](CC)S(=O)(=O)[N-]c1cnc(C(C)(C)C)nc1 ZINC000570687780 322279947 /nfs/dbraw/zinc/27/99/47/322279947.db2.gz OZPDHLKVDHSOOV-GFCCVEGCSA-N -1 3 299.440 3.095 20 0 CGADHM O=C(NC[C@H]1CC2CCC1CC2)c1cc([O-])ccc1F ZINC000570930426 322285569 /nfs/dbraw/zinc/28/55/69/322285569.db2.gz VQHOLLIAADAJTN-HTAVTVPLSA-N -1 3 277.339 3.087 20 0 CGADHM O=C([O-])CN(Cc1ccc(F)cc1)Cc1cccc(F)c1 ZINC000571916673 322312265 /nfs/dbraw/zinc/31/22/65/322312265.db2.gz JWUSCMJPRFVOGM-UHFFFAOYSA-N -1 3 291.297 3.052 20 0 CGADHM CC(C)C[C@H](C(=O)[O-])N1CCc2[nH]c3ccccc3c2C1 ZINC000572249421 322327567 /nfs/dbraw/zinc/32/75/67/322327567.db2.gz JREAXOWARNSZDB-MRXNPFEDSA-N -1 3 286.375 3.025 20 0 CGADHM CC[C@@H]1CCN(CCOc2ccc(C(=O)[O-])cc2Cl)C1 ZINC000572295900 322329758 /nfs/dbraw/zinc/32/97/58/322329758.db2.gz DVLMZIHJEGMMJZ-LLVKDONJSA-N -1 3 297.782 3.149 20 0 CGADHM C[C@@H](NC(=O)CCCc1ccc([O-])c(F)c1)C(C)(C)C ZINC000572492081 322340174 /nfs/dbraw/zinc/34/01/74/322340174.db2.gz IJFYFYMDMUGNSQ-LLVKDONJSA-N -1 3 281.371 3.405 20 0 CGADHM Cc1cc(S(=O)(=O)[N-][C@H]2CCC2(C)C)sc1Cl ZINC000575976213 322498703 /nfs/dbraw/zinc/49/87/03/322498703.db2.gz WZJCZPQNUURZPL-QMMMGPOBSA-N -1 3 293.841 3.177 20 0 CGADHM CCC[C@]1(C)CCCN([C@H](C)c2nc(C)cc(=O)[n-]2)C1 ZINC000583421168 327355632 /nfs/dbraw/zinc/35/56/32/327355632.db2.gz MBQZRNDBUKQXFJ-CZUORRHYSA-N -1 3 277.412 3.454 20 0 CGADHM Cc1ccc(C(=O)Nc2ccc([C@@H]3CCOC3)cc2)c([O-])c1 ZINC000576064612 335148248 /nfs/dbraw/zinc/14/82/48/335148248.db2.gz WTSMYNUICWFEQY-CQSZACIVSA-N -1 3 297.354 3.457 20 0 CGADHM Cc1oc(CN(C)[C@@H]2CCc3ccccc32)cc1C(=O)[O-] ZINC000576114264 335156536 /nfs/dbraw/zinc/15/65/36/335156536.db2.gz QYPPFUAEDRGGHI-MRXNPFEDSA-N -1 3 285.343 3.406 20 0 CGADHM O=C(Cc1ccc2c(c1)CCC2)Nc1cc(F)ccc1[O-] ZINC000174871614 335168099 /nfs/dbraw/zinc/16/80/99/335168099.db2.gz PCNKUFBAOYCNLB-UHFFFAOYSA-N -1 3 285.318 3.201 20 0 CGADHM CC(C)c1nc(C(=O)Nc2cc(F)ccc2[O-])cs1 ZINC000174882393 335168361 /nfs/dbraw/zinc/16/83/61/335168361.db2.gz DCNRXOWPDDXRBQ-UHFFFAOYSA-N -1 3 280.324 3.364 20 0 CGADHM O=C([O-])C1(NCc2csc(C3CC3)n2)CCCCCC1 ZINC000576473319 335208898 /nfs/dbraw/zinc/20/88/98/335208898.db2.gz TWHMUFXLUQWPQY-UHFFFAOYSA-N -1 3 294.420 3.288 20 0 CGADHM O=C([O-])[C@H]1CCCN1CCc1cc(Cl)ccc1Cl ZINC000576710837 335238487 /nfs/dbraw/zinc/23/84/87/335238487.db2.gz XYRBWSYURBNPCU-GFCCVEGCSA-N -1 3 288.174 3.085 20 0 CGADHM Cc1nc(CCCC(=O)Nc2cc(F)ccc2[O-])cs1 ZINC000176183863 335248064 /nfs/dbraw/zinc/24/80/64/335248064.db2.gz GEYKAOQFPUOPFA-UHFFFAOYSA-N -1 3 294.351 3.258 20 0 CGADHM CC(C)Cn1nccc1C(=O)Nc1c([O-])cccc1Cl ZINC000576955760 335269701 /nfs/dbraw/zinc/26/97/01/335269701.db2.gz OBDVMSAYVXSHEB-UHFFFAOYSA-N -1 3 293.754 3.150 20 0 CGADHM Cc1ccccc1C[C@H](C)N(C)Cc1occc1C(=O)[O-] ZINC000576998653 335275864 /nfs/dbraw/zinc/27/58/64/335275864.db2.gz MGKXGGZRXCSANE-ZDUSSCGKSA-N -1 3 287.359 3.349 20 0 CGADHM CN(CCCc1ccccc1)Cc1occc1C(=O)[O-] ZINC000577381274 335345479 /nfs/dbraw/zinc/34/54/79/335345479.db2.gz UNARCSLULPYEQN-UHFFFAOYSA-N -1 3 273.332 3.042 20 0 CGADHM Cc1oc([C@H](C)N2CC[C@@H](C)[C@H](C)C2)cc1C(=O)[O-] ZINC000577500777 335360151 /nfs/dbraw/zinc/36/01/51/335360151.db2.gz YVQIUOQHYLYFJZ-MXWKQRLJSA-N -1 3 265.353 3.325 20 0 CGADHM C[C@@H]1CCC[C@H](c2nc(-c3ccc4n[n-]nc4c3)no2)C1 ZINC000577638791 335384380 /nfs/dbraw/zinc/38/43/80/335384380.db2.gz BFRPEORXGOUJRN-KOLCDFICSA-N -1 3 283.335 3.302 20 0 CGADHM CCOc1cc(-c2noc(-c3cncc(C)c3)n2)ccc1[O-] ZINC000350791576 335533578 /nfs/dbraw/zinc/53/35/78/335533578.db2.gz JEXFBDCDCTVJPC-UHFFFAOYSA-N -1 3 297.314 3.211 20 0 CGADHM CCc1oc(C(=O)Nc2c(C)cccc2[O-])cc1C ZINC000183051068 335859019 /nfs/dbraw/zinc/85/90/19/335859019.db2.gz WIHRMWBBKMSKFG-UHFFFAOYSA-N -1 3 259.305 3.417 20 0 CGADHM c1cc(-c2noc(CC3CCCCC3)n2)cc2n[n-]nc12 ZINC000581285966 336036661 /nfs/dbraw/zinc/03/66/61/336036661.db2.gz JDZVKIKXFQYECW-UHFFFAOYSA-N -1 3 283.335 3.131 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CC(C)(C)[C@@H]3CCC[C@@H]32)c1 ZINC000381122925 336050904 /nfs/dbraw/zinc/05/09/04/336050904.db2.gz LZOVXSQTJRHBSB-KGLIPLIRSA-N -1 3 273.376 3.351 20 0 CGADHM C[C@H](CCC(C)(C)C)NC(=O)N=c1cc2ccccn2[n-]1 ZINC000581507181 336091686 /nfs/dbraw/zinc/09/16/86/336091686.db2.gz FGGZFFPMBPUSCU-GFCCVEGCSA-N -1 3 288.395 3.093 20 0 CGADHM CCN(Cc1ccoc1C(=O)[O-])Cc1ccc(OC)cc1 ZINC000581553184 336101781 /nfs/dbraw/zinc/10/17/81/336101781.db2.gz GAAXFKFGEHWWKH-UHFFFAOYSA-N -1 3 289.331 3.009 20 0 CGADHM C[C@H](N(C)Cc1ccc(C(=O)[O-])cc1F)C1(C)CC1 ZINC000385190555 336141553 /nfs/dbraw/zinc/14/15/53/336141553.db2.gz MJNYQDDSWPUHOI-JTQLQIEISA-N -1 3 265.328 3.144 20 0 CGADHM COc1ccc([O-])c(C(=O)N[C@H](C)CCC(C)(C)C)c1 ZINC000386068979 336165862 /nfs/dbraw/zinc/16/58/62/336165862.db2.gz CLUVGJCXLXLVEU-LLVKDONJSA-N -1 3 279.380 3.345 20 0 CGADHM CCc1cccc(C(=O)N2C[C@H](C)CC2(C)C)c1[O-] ZINC000538776493 500608482 /nfs/dbraw/zinc/60/84/82/500608482.db2.gz HBQBPMNWOTXAKE-LLVKDONJSA-N -1 3 261.365 3.215 20 0 CGADHM C[C@H](CCC(=O)[O-])CNCc1cccc(Cl)c1F ZINC000426660859 533795480 /nfs/dbraw/zinc/79/54/80/533795480.db2.gz AYBKGYAIASFMMX-SECBINFHSA-N -1 3 273.735 3.070 20 0 CGADHM C[C@@H]1OCC[C@H]1c1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000436614500 534202831 /nfs/dbraw/zinc/20/28/31/534202831.db2.gz YHUTVOZTEUPISQ-WDEREUQCSA-N -1 3 296.326 3.488 20 0 CGADHM Cc1ccc(C(=O)N2CCS[C@@H](C(C)C)C2)c([O-])c1C ZINC000436571703 534262233 /nfs/dbraw/zinc/26/22/33/534262233.db2.gz DJQGFRGQOMYORU-CQSZACIVSA-N -1 3 293.432 3.223 20 0 CGADHM COC(=O)c1cnc(SC[C@H]2C[C@H]2c2ccccc2)[n-]1 ZINC000359156242 534307457 /nfs/dbraw/zinc/30/74/57/534307457.db2.gz DHXAKKUADUDBGA-NEPJUHHUSA-N -1 3 288.372 3.092 20 0 CGADHM CC(C)(C)CCCC(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000103431762 518639374 /nfs/dbraw/zinc/63/93/74/518639374.db2.gz VRRQVOKTWKRMSD-UHFFFAOYSA-N -1 3 287.367 3.022 20 0 CGADHM CC(C)(C)CCCC(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000103431762 518639382 /nfs/dbraw/zinc/63/93/82/518639382.db2.gz VRRQVOKTWKRMSD-UHFFFAOYSA-N -1 3 287.367 3.022 20 0 CGADHM CC(C)(C)CCCC(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000103431762 518639389 /nfs/dbraw/zinc/63/93/89/518639389.db2.gz VRRQVOKTWKRMSD-UHFFFAOYSA-N -1 3 287.367 3.022 20 0 CGADHM Cc1nc(CNC[C@@H]2CCCC[C@H]2C)sc1C(=O)[O-] ZINC000426676720 534387477 /nfs/dbraw/zinc/38/74/77/534387477.db2.gz GAFWUBHCLQQCJW-KOLCDFICSA-N -1 3 282.409 3.066 20 0 CGADHM Cc1ccc2c(CSc3nncs3)ccc([O-])c2n1 ZINC000427244269 534392781 /nfs/dbraw/zinc/39/27/81/534392781.db2.gz UOIXFUXJMUPMLV-UHFFFAOYSA-N -1 3 289.385 3.393 20 0 CGADHM Cc1noc([N-]C(=O)COc2ccc(F)c(Cl)c2)c1C ZINC000359369010 534428924 /nfs/dbraw/zinc/42/89/24/534428924.db2.gz HPKAQXVGRRQARC-UHFFFAOYSA-N -1 3 298.701 3.101 20 0 CGADHM O=C(Nc1cncc(F)c1)c1ccc2c(c1[O-])CCCC2 ZINC000436772492 534454571 /nfs/dbraw/zinc/45/45/71/534454571.db2.gz FKITTYGACWGTSV-UHFFFAOYSA-N -1 3 286.306 3.057 20 0 CGADHM O=C([O-])[C@@H]1CC[C@H](NCc2c(Cl)oc3ccccc32)C1 ZINC000424616631 534525163 /nfs/dbraw/zinc/52/51/63/534525163.db2.gz JUWHREFYQXHHRI-ZJUUUORDSA-N -1 3 293.750 3.429 20 0 CGADHM CCCc1ccccc1NC([O-])=NOCc1cccnc1 ZINC000183544071 521441499 /nfs/dbraw/zinc/44/14/99/521441499.db2.gz VPLIQSSZUNIHTB-UHFFFAOYSA-N -1 3 285.347 3.287 20 0 CGADHM CCCc1ccccc1NC(=O)[N-]OCc1cccnc1 ZINC000183544071 521441508 /nfs/dbraw/zinc/44/15/08/521441508.db2.gz VPLIQSSZUNIHTB-UHFFFAOYSA-N -1 3 285.347 3.287 20 0 CGADHM CCCc1nc(C[S@](=O)c2cccc([O-])c2)cs1 ZINC000184036191 521527377 /nfs/dbraw/zinc/52/73/77/521527377.db2.gz OACNMYNHIYPVPY-SFHVURJKSA-N -1 3 281.402 3.109 20 0 CGADHM O=C(NCc1ccc(C2CCC2)cc1)c1c([O-])cccc1O ZINC000436824422 534657602 /nfs/dbraw/zinc/65/76/02/534657602.db2.gz ZTICPDKLJUGLSQ-UHFFFAOYSA-N -1 3 297.354 3.295 20 0 CGADHM CCc1nnc([N-]C(=O)c2csc(CC(C)C)n2)s1 ZINC000049478673 522774525 /nfs/dbraw/zinc/77/45/25/522774525.db2.gz KOLZNDQLSPJNRP-UHFFFAOYSA-N -1 3 296.421 3.008 20 0 CGADHM Cc1cccc(C(=O)N(C)C[C@@H](C)c2nccs2)c1[O-] ZINC000184919349 524163118 /nfs/dbraw/zinc/16/31/18/524163118.db2.gz OYWQUFLVGFROQS-LLVKDONJSA-N -1 3 290.388 3.033 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CCC[C@H]3CCC[C@H]32)c1 ZINC000087777537 525332309 /nfs/dbraw/zinc/33/23/09/525332309.db2.gz DSAWQFAQVHTZCR-TZMCWYRMSA-N -1 3 259.349 3.105 20 0 CGADHM Cc1ccc([O-])c(CNCc2ccc(C(F)(F)F)cc2)n1 ZINC000103341313 525352433 /nfs/dbraw/zinc/35/24/33/525352433.db2.gz QKSUSDJJGNSYPZ-UHFFFAOYSA-N -1 3 296.292 3.404 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-]c2cccc(F)c2F)cc1C ZINC000049375360 525614593 /nfs/dbraw/zinc/61/45/93/525614593.db2.gz QPGUXBGDAFPXAE-UHFFFAOYSA-N -1 3 297.326 3.382 20 0 CGADHM CC(=O)c1cccc(NC(=O)[C@@H]2CC3CCC2CC3)c1[O-] ZINC000515851759 534892011 /nfs/dbraw/zinc/89/20/11/534892011.db2.gz SMCOKTZWFSRYNV-ORHYLEIMSA-N -1 3 287.359 3.360 20 0 CGADHM Cc1cnc([N-]C(=O)c2cc(COC(C)(C)C)on2)s1 ZINC000184715439 526089215 /nfs/dbraw/zinc/08/92/15/526089215.db2.gz XDQXVHNWKIKYEI-UHFFFAOYSA-N -1 3 295.364 3.007 20 0 CGADHM CCC(CC)(CC)NC(=O)c1cccc(OC)c1[O-] ZINC000086645787 534907522 /nfs/dbraw/zinc/90/75/22/534907522.db2.gz VTBBFWVENAKQIS-UHFFFAOYSA-N -1 3 265.353 3.099 20 0 CGADHM Cc1ccc(C(=O)Nc2cc(Cl)ccc2[O-])c(C)n1 ZINC000067145421 526217791 /nfs/dbraw/zinc/21/77/91/526217791.db2.gz HJLANBLNZXZHHA-UHFFFAOYSA-N -1 3 276.723 3.310 20 0 CGADHM CC(=O)c1ccc(C(=O)N2CCCC3(CCC3)C2)cc1[O-] ZINC000412296656 527240090 /nfs/dbraw/zinc/24/00/90/527240090.db2.gz BWOMPBXZPRVXPO-UHFFFAOYSA-N -1 3 287.359 3.001 20 0 CGADHM CCO[C@@H](Cc1nc(-c2ccc([O-])cc2)no1)C(C)C ZINC000436857159 527736478 /nfs/dbraw/zinc/73/64/78/527736478.db2.gz CIDLLSWDAOQVEI-ZDUSSCGKSA-N -1 3 276.336 3.046 20 0 CGADHM CC(C)Nc1ccc(-c2nc(-c3ccc([O-])cc3)no2)cn1 ZINC000436868125 527761941 /nfs/dbraw/zinc/76/19/41/527761941.db2.gz GIFKSJXRVNURBG-UHFFFAOYSA-N -1 3 296.330 3.325 20 0 CGADHM CCN=c1[n-]c(C(=O)N2CCC[C@@H]2CC(C)(C)C)cs1 ZINC000358159119 527998138 /nfs/dbraw/zinc/99/81/38/527998138.db2.gz YEMBZVHOCKRBPC-LLVKDONJSA-N -1 3 295.452 3.038 20 0 CGADHM CCCC(CCC)C(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000411295746 527999162 /nfs/dbraw/zinc/99/91/62/527999162.db2.gz ONMHLEVOAYTAHU-UHFFFAOYSA-N -1 3 276.340 3.220 20 0 CGADHM CCCC(CCC)C(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000411295746 527999171 /nfs/dbraw/zinc/99/91/71/527999171.db2.gz ONMHLEVOAYTAHU-UHFFFAOYSA-N -1 3 276.340 3.220 20 0 CGADHM CCCC(CCC)C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000411295746 527999172 /nfs/dbraw/zinc/99/91/72/527999172.db2.gz ONMHLEVOAYTAHU-UHFFFAOYSA-N -1 3 276.340 3.220 20 0 CGADHM CCN(CC)c1ccc(NC(=O)c2cc(C)ccc2[O-])cn1 ZINC000436574496 528311748 /nfs/dbraw/zinc/31/17/48/528311748.db2.gz MDJZNMUHOWGNFA-UHFFFAOYSA-N -1 3 299.374 3.194 20 0 CGADHM CCC(CC)(CC)C[N-]S(=O)(=O)c1ccc(C)o1 ZINC000358604886 528630899 /nfs/dbraw/zinc/63/08/99/528630899.db2.gz SYAXZDMLVDSVQY-UHFFFAOYSA-N -1 3 273.398 3.083 20 0 CGADHM CC/C=C(/C)c1nc(-c2ccc([O-])c(OC)c2)no1 ZINC000436787110 528762730 /nfs/dbraw/zinc/76/27/30/528762730.db2.gz GUERHTZMGVTLSO-UITAMQMPSA-N -1 3 260.293 3.264 20 0 CGADHM CCCSC[C@@H](NCc1ccc(Cl)s1)C(=O)[O-] ZINC000426810602 528829572 /nfs/dbraw/zinc/82/95/72/528829572.db2.gz JBEMKKLGIXRJNT-SECBINFHSA-N -1 3 293.841 3.088 20 0 CGADHM CCC1(C)CCN(C(=O)c2ccc(C(C)=O)c([O-])c2)CC1 ZINC000411824552 529021469 /nfs/dbraw/zinc/02/14/69/529021469.db2.gz GHXAMRVWHYWKIO-UHFFFAOYSA-N -1 3 289.375 3.247 20 0 CGADHM CC[C@H]1CCN(C(=O)c2cc3c(cc2[O-])CCCC3)C1 ZINC000436581352 529238410 /nfs/dbraw/zinc/23/84/10/529238410.db2.gz FKUYCLSYQYPAAT-LBPRGKRZSA-N -1 3 273.376 3.143 20 0 CGADHM CC[C@H](C)[C@](C)(O)CNC(=O)c1ccc(C(C)C)cc1[O-] ZINC000436951666 529269759 /nfs/dbraw/zinc/26/97/59/529269759.db2.gz ZTEHMJQUINICGQ-YVEFUNNKSA-N -1 3 293.407 3.043 20 0 CGADHM CC[C@@H](C)CN(C)C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000436959649 529313985 /nfs/dbraw/zinc/31/39/85/529313985.db2.gz AXVTUTWYWVFPSF-GFCCVEGCSA-N -1 3 275.392 3.389 20 0 CGADHM CC(C)[C@@H]1[C@@H](C(C)C)CN1C(=O)c1ccccc1[O-] ZINC000456275028 535303703 /nfs/dbraw/zinc/30/37/03/535303703.db2.gz ALPULWIVJTYVDN-UKRRQHHQSA-N -1 3 261.365 3.145 20 0 CGADHM CC1(C)CCN(Cc2cccc([O-])c2Br)C1 ZINC000315314968 535315975 /nfs/dbraw/zinc/31/59/75/535315975.db2.gz ABTNUJVQXFPASS-UHFFFAOYSA-N -1 3 284.197 3.387 20 0 CGADHM CCO[N-]C(=O)Nc1cc(Cl)c(Cl)cc1OC ZINC000191279967 535724956 /nfs/dbraw/zinc/72/49/56/535724956.db2.gz JOCBZJSNHUFBGW-UHFFFAOYSA-N -1 3 279.123 3.075 20 0 CGADHM CCc1cc(C(=O)N[C@@H]2C[C@H]2c2ccccc2)ccc1[O-] ZINC000485928634 536127316 /nfs/dbraw/zinc/12/73/16/536127316.db2.gz DCFZXZUHASKLQU-JKSUJKDBSA-N -1 3 281.355 3.241 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2C[C@@H](C3CC3)[C@H]2C2CC2)c1 ZINC000456275488 536190654 /nfs/dbraw/zinc/19/06/54/536190654.db2.gz HDUUIKHYMOVDGK-DOTOQJQBSA-N -1 3 285.387 3.215 20 0 CGADHM Cc1cccc2[nH]cc(CC(=O)[N-]OCc3ccccc3)c21 ZINC000728858022 571838012 /nfs/dbraw/zinc/83/80/12/571838012.db2.gz AVXIRXQROZALAC-UHFFFAOYSA-N -1 3 294.354 3.267 20 0 CGADHM O=C([O-])CCCCN1CCCC[C@H]1c1ccco1 ZINC000738570737 571864330 /nfs/dbraw/zinc/86/43/30/571864330.db2.gz LBOYNKUAXHGUBU-LBPRGKRZSA-N -1 3 251.326 3.062 20 0 CGADHM [O-]c1ccc(CNC(=S)Nc2ccccc2F)cc1F ZINC000737461299 572346342 /nfs/dbraw/zinc/34/63/42/572346342.db2.gz MBIUCEPNKYDCNC-UHFFFAOYSA-N -1 3 294.326 3.157 20 0 CGADHM Cc1occc1CNc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000737556079 572348503 /nfs/dbraw/zinc/34/85/03/572348503.db2.gz DFSVBYCYAXNBAE-UHFFFAOYSA-N -1 3 289.726 3.034 20 0 CGADHM Cc1occc1CNc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000737556079 572348507 /nfs/dbraw/zinc/34/85/07/572348507.db2.gz DFSVBYCYAXNBAE-UHFFFAOYSA-N -1 3 289.726 3.034 20 0 CGADHM C[C@@H](NC(=O)[O-])C1CCN([C@H](C)c2ccccc2F)CC1 ZINC000739021886 572399832 /nfs/dbraw/zinc/39/98/32/572399832.db2.gz DGVXODFMNREBSH-VXGBXAGGSA-N -1 3 294.370 3.255 20 0 CGADHM C[C@@H](NC(=O)[O-])C1CCN(C/C=C/c2ccccc2)CC1 ZINC000739028194 572405831 /nfs/dbraw/zinc/40/58/31/572405831.db2.gz QEZMQCAJAVAWPR-LHRNQBEKSA-N -1 3 288.391 3.068 20 0 CGADHM C[C@H](NC(=O)[O-])C1CCN(C/C=C\c2ccccc2)CC1 ZINC000739028207 572406085 /nfs/dbraw/zinc/40/60/85/572406085.db2.gz QEZMQCAJAVAWPR-PODYEWJSSA-N -1 3 288.391 3.068 20 0 CGADHM O=C([O-])[C@H](NCc1cc2ccccc2[nH]1)c1ccc(F)cc1 ZINC000739500001 572435678 /nfs/dbraw/zinc/43/56/78/572435678.db2.gz NNNGGTCHPZMLMR-MRXNPFEDSA-N -1 3 298.317 3.223 20 0 CGADHM O=C(OCc1ccc(Cl)c(Cl)c1)c1cncc([O-])c1 ZINC000731916448 572436179 /nfs/dbraw/zinc/43/61/79/572436179.db2.gz VNEZZYPOLKUOMO-UHFFFAOYSA-N -1 3 298.125 3.451 20 0 CGADHM O=C([O-])c1coc(CN2CC[C@H](c3cccc(F)c3)C2)c1 ZINC000740268220 572437556 /nfs/dbraw/zinc/43/75/56/572437556.db2.gz DZNGGKHLVFWKKI-LBPRGKRZSA-N -1 3 289.306 3.106 20 0 CGADHM O=C([O-])CCN1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000734850326 572687972 /nfs/dbraw/zinc/68/79/72/572687972.db2.gz ZYJCMJKMOOCQRC-GFCCVEGCSA-N -1 3 287.281 3.317 20 0 CGADHM CCc1cnc(COC(=O)c2cc(Cl)c(Cl)[n-]2)o1 ZINC000744629797 572766417 /nfs/dbraw/zinc/76/64/17/572766417.db2.gz VSXAUANADLBSNL-UHFFFAOYSA-N -1 3 289.118 3.229 20 0 CGADHM CC(C)(C)CCN[C@@H](C(=O)[O-])c1cc(F)ccc1F ZINC000736248476 572775379 /nfs/dbraw/zinc/77/53/79/572775379.db2.gz KCQFDVVWGBYRLN-GFCCVEGCSA-N -1 3 271.307 3.116 20 0 CGADHM C[C@@H]1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)cc2)[C@H]1C ZINC000736247572 572777225 /nfs/dbraw/zinc/77/72/25/572777225.db2.gz ACXOAAVUVDREMT-UHIISALHSA-N -1 3 271.368 3.103 20 0 CGADHM C[C@@H]1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)cc2)[C@H]1C ZINC000736247572 572777229 /nfs/dbraw/zinc/77/72/29/572777229.db2.gz ACXOAAVUVDREMT-UHIISALHSA-N -1 3 271.368 3.103 20 0 CGADHM C[C@H]1CCCC[C@@H]1CC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000736264121 572777991 /nfs/dbraw/zinc/77/79/91/572777991.db2.gz UKANDSHICFHEOV-NWDGAFQWSA-N -1 3 299.378 3.022 20 0 CGADHM C[C@H]1CCCC[C@@H]1CC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000736264121 572777995 /nfs/dbraw/zinc/77/79/95/572777995.db2.gz UKANDSHICFHEOV-NWDGAFQWSA-N -1 3 299.378 3.022 20 0 CGADHM C[C@@H]1CCCC[C@H]1CC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000736264120 572778289 /nfs/dbraw/zinc/77/82/89/572778289.db2.gz UKANDSHICFHEOV-NEPJUHHUSA-N -1 3 299.378 3.022 20 0 CGADHM C[C@@H]1CCCC[C@H]1CC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000736264120 572778293 /nfs/dbraw/zinc/77/82/93/572778293.db2.gz UKANDSHICFHEOV-NEPJUHHUSA-N -1 3 299.378 3.022 20 0 CGADHM CC[C@@H]1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736400670 572787576 /nfs/dbraw/zinc/78/75/76/572787576.db2.gz QPKJJNKQEXUIED-BXUZGUMPSA-N -1 3 271.368 3.247 20 0 CGADHM CC[C@@H]1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736400670 572787580 /nfs/dbraw/zinc/78/75/80/572787580.db2.gz QPKJJNKQEXUIED-BXUZGUMPSA-N -1 3 271.368 3.247 20 0 CGADHM CCCCCNc1cccc(Cl)c1-c1nnn[n-]1 ZINC000736451943 572794299 /nfs/dbraw/zinc/79/42/99/572794299.db2.gz SHTSHWPFCBVZIJ-UHFFFAOYSA-N -1 3 265.748 3.122 20 0 CGADHM CCCCCNc1cccc(Cl)c1-c1nn[n-]n1 ZINC000736451943 572794303 /nfs/dbraw/zinc/79/43/03/572794303.db2.gz SHTSHWPFCBVZIJ-UHFFFAOYSA-N -1 3 265.748 3.122 20 0 CGADHM CC[C@@](C)(NCc1cc2ccccc2nc1Cl)C(=O)[O-] ZINC000736862475 572822443 /nfs/dbraw/zinc/82/24/43/572822443.db2.gz CGRUOACXILQYJJ-OAHLLOKOSA-N -1 3 292.766 3.231 20 0 CGADHM CC[C@@H](NCCCCC(=O)[O-])c1ccc(F)cc1F ZINC000736916519 572824940 /nfs/dbraw/zinc/82/49/40/572824940.db2.gz JHVHMGMLFPBLNV-CYBMUJFWSA-N -1 3 271.307 3.260 20 0 CGADHM Cc1ccc(C(=O)NCc2ccnc3ccccc23)c([O-])c1 ZINC000748807263 572984860 /nfs/dbraw/zinc/98/48/60/572984860.db2.gz XAVJPVODJYLKBX-UHFFFAOYSA-N -1 3 292.338 3.179 20 0 CGADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)[C@H](C)C3CC3)c2)n1 ZINC000749040831 572988654 /nfs/dbraw/zinc/98/86/54/572988654.db2.gz MLLDOCZYIFRFJC-LLVKDONJSA-N -1 3 298.342 3.109 20 0 CGADHM C/C(=C\c1ccc(F)cc1)C(=O)[N-]OCc1ccccc1 ZINC000749335919 572992238 /nfs/dbraw/zinc/99/22/38/572992238.db2.gz VDDPVGMTKIIQJF-ACCUITESSA-N -1 3 285.318 3.477 20 0 CGADHM CC(C)CO[N-]C(=O)C[C@@H]1CCCc2ccccc21 ZINC000750005864 573072635 /nfs/dbraw/zinc/07/26/35/573072635.db2.gz MZMUWPGFISGTRI-AWEZNQCLSA-N -1 3 261.365 3.200 20 0 CGADHM CC[C@@]1(C)CCCN(c2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000820950336 599089830 /nfs/dbraw/zinc/08/98/30/599089830.db2.gz MNAUWGCPRRXETI-HNNXBMFYSA-N -1 3 289.358 3.022 20 0 CGADHM C[C@H](NCc1ccc(C(=O)[O-])cc1)c1cccc(F)c1 ZINC000050920791 597207689 /nfs/dbraw/zinc/20/76/89/597207689.db2.gz KWAGIICBFWPMIP-NSHDSACASA-N -1 3 273.307 3.375 20 0 CGADHM Cc1ccc([C@@H](C)NCc2cccc(C(=O)[O-])c2)c(C)n1 ZINC000821069880 598192236 /nfs/dbraw/zinc/19/22/36/598192236.db2.gz MIGKULGMDRXVIX-GFCCVEGCSA-N -1 3 284.359 3.247 20 0 CGADHM CC[C@H](N[C@H](C)CC(=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000820284979 598216315 /nfs/dbraw/zinc/21/63/15/598216315.db2.gz JYJKTLRAIDSRFR-RQJHMYQMSA-N -1 3 296.314 3.066 20 0 CGADHM CCc1nc(C)c([C@@H](C)N(C)C/C=C(/C)C(=O)[O-])s1 ZINC000830309610 601172426 /nfs/dbraw/zinc/17/24/26/601172426.db2.gz KPZHCTOGABUDBO-GXMKHXEJSA-N -1 3 282.409 3.038 20 0 CGADHM Fc1ccc(N[C@@H]2CCc3ccccc32)c(-c2nnn[n-]2)c1 ZINC000822779297 599468382 /nfs/dbraw/zinc/46/83/82/599468382.db2.gz VBFOUCOFGSDVSV-CQSZACIVSA-N -1 3 295.321 3.105 20 0 CGADHM Fc1ccc(N[C@@H]2CCc3ccccc32)c(-c2nn[n-]n2)c1 ZINC000822779297 599468384 /nfs/dbraw/zinc/46/83/84/599468384.db2.gz VBFOUCOFGSDVSV-CQSZACIVSA-N -1 3 295.321 3.105 20 0 CGADHM O=C([O-])[C@H](NCc1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000074404051 600416553 /nfs/dbraw/zinc/41/65/53/600416553.db2.gz BONGPEPQIAKDOU-CQSZACIVSA-N -1 3 293.725 3.395 20 0 CGADHM CCc1nc(C)c([C@@H](C)N(C)C/C=C(\C)C(=O)[O-])s1 ZINC000830309611 601172713 /nfs/dbraw/zinc/17/27/13/601172713.db2.gz KPZHCTOGABUDBO-MXMFLMJRSA-N -1 3 282.409 3.038 20 0 CGADHM O=C([O-])[C@@]1(F)CCN(C2c3ccccc3-c3ccccc32)C1 ZINC000833175228 601552221 /nfs/dbraw/zinc/55/22/21/601552221.db2.gz ORHHYJIQTFKIKP-GOSISDBHSA-N -1 3 297.329 3.255 20 0 CGADHM Cc1[n-]n(-c2cccc3cnccc32)c(=O)c1C(C)C ZINC000899353953 620650001 /nfs/dbraw/zinc/65/00/01/620650001.db2.gz ADXDEOBXMJCBAL-HNNXBMFYSA-N -1 3 267.332 3.230 20 0 CGADHM CCc1ccc(NCc2cccc(-c3nnn[n-]3)c2)cc1F ZINC000825717828 607686962 /nfs/dbraw/zinc/68/69/62/607686962.db2.gz QYLIHHPFYSHUTN-UHFFFAOYSA-N -1 3 297.337 3.180 20 0 CGADHM CCc1ccc(NCc2cccc(-c3nn[n-]n3)c2)cc1F ZINC000825717828 607686964 /nfs/dbraw/zinc/68/69/64/607686964.db2.gz QYLIHHPFYSHUTN-UHFFFAOYSA-N -1 3 297.337 3.180 20 0 CGADHM CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2cccc(F)c2F)C1 ZINC000135025719 604943227 /nfs/dbraw/zinc/94/32/27/604943227.db2.gz RMPKHJXMAJEJET-LBPRGKRZSA-N -1 3 297.345 3.288 20 0 CGADHM O=C([O-])Nc1cccc(CN2CCc3ccsc3C2)c1 ZINC000834269836 605620471 /nfs/dbraw/zinc/62/04/71/605620471.db2.gz SWUXRWCWGXJGKT-UHFFFAOYSA-N -1 3 288.372 3.396 20 0 CGADHM O=C([O-])c1cc(CN2CCC[C@H]2/C=C\c2ccccc2)c[nH]1 ZINC000833780119 605731764 /nfs/dbraw/zinc/73/17/64/605731764.db2.gz QYNMPEJKWZWVCO-QWGSZXSUSA-N -1 3 296.370 3.391 20 0 CGADHM C(=Cc1nc2ccccc2o1)c1ccc(-c2nnn[n-]2)s1 ZINC000819709529 606387893 /nfs/dbraw/zinc/38/78/93/606387893.db2.gz IDIHEVFWEGHQMM-SOFGYWHQSA-N -1 3 295.327 3.240 20 0 CGADHM CCN(Cc1ccccc1-c1nnn[n-]1)c1ccccc1C ZINC000821231197 606658850 /nfs/dbraw/zinc/65/88/50/606658850.db2.gz YJCQQPTXYHFJMG-UHFFFAOYSA-N -1 3 293.374 3.202 20 0 CGADHM CCN(Cc1ccccc1-c1nn[n-]n1)c1ccccc1C ZINC000821231197 606658851 /nfs/dbraw/zinc/65/88/51/606658851.db2.gz YJCQQPTXYHFJMG-UHFFFAOYSA-N -1 3 293.374 3.202 20 0 CGADHM Fc1c(CSCc2ccco2)cccc1-c1nnn[n-]1 ZINC000826371002 608669596 /nfs/dbraw/zinc/66/95/96/608669596.db2.gz OTXJRCPFIIVPFJ-UHFFFAOYSA-N -1 3 290.323 3.032 20 0 CGADHM Fc1c(CSCc2ccco2)cccc1-c1nn[n-]n1 ZINC000826371002 608669597 /nfs/dbraw/zinc/66/95/97/608669597.db2.gz OTXJRCPFIIVPFJ-UHFFFAOYSA-N -1 3 290.323 3.032 20 0 CGADHM Cc1ccc(F)c(N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000826290091 609255199 /nfs/dbraw/zinc/25/51/99/609255199.db2.gz ZQZYYXTZYWIKNF-NSHDSACASA-N -1 3 297.337 3.487 20 0 CGADHM Cc1ccc(F)c(N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000826290091 609255200 /nfs/dbraw/zinc/25/52/00/609255200.db2.gz ZQZYYXTZYWIKNF-NSHDSACASA-N -1 3 297.337 3.487 20 0 CGADHM Cc1ccc(F)cc1N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826289710 609272730 /nfs/dbraw/zinc/27/27/30/609272730.db2.gz KCUZDBVVEIJSJH-NSHDSACASA-N -1 3 297.337 3.487 20 0 CGADHM Cc1ccc(F)cc1N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826289710 609272731 /nfs/dbraw/zinc/27/27/31/609272731.db2.gz KCUZDBVVEIJSJH-NSHDSACASA-N -1 3 297.337 3.487 20 0 CGADHM N#CCSc1ccccc1C([O-])=C(C#N)c1ccccn1 ZINC000049457114 617609518 /nfs/dbraw/zinc/60/95/18/617609518.db2.gz PUMLZWDLCJLMPC-CYBMUJFWSA-N -1 3 293.351 3.187 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2ccc(F)c([C@H](C)O)c2)c1 ZINC000804794590 617841611 /nfs/dbraw/zinc/84/16/11/617841611.db2.gz IFJCRURFOKZNGS-JTQLQIEISA-N -1 3 289.306 3.145 20 0 CGADHM CC(C)(C[N-]C(=O)C(F)(F)C(F)F)c1ccccc1F ZINC000176335086 618462455 /nfs/dbraw/zinc/46/24/55/618462455.db2.gz PSANCCRVGFGIDR-UHFFFAOYSA-N -1 3 295.251 3.120 20 0 CGADHM CC=C(C)C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000255910704 618878314 /nfs/dbraw/zinc/87/83/14/618878314.db2.gz WMKOBACWGQSWJE-WMZJFQQLSA-N -1 3 283.331 3.062 20 0 CGADHM COC(=O)c1cnc(SCCSc2ccccc2)[n-]1 ZINC000193539930 619130242 /nfs/dbraw/zinc/13/02/42/619130242.db2.gz JXZLKDNABCFSLT-UHFFFAOYSA-N -1 3 294.401 3.081 20 0 CGADHM Cc1ccsc1CCCC(=O)[N-]OCCC(F)(F)F ZINC000162831890 619219956 /nfs/dbraw/zinc/21/99/56/619219956.db2.gz JAFLFFGHSZVASV-UHFFFAOYSA-N -1 3 295.326 3.379 20 0 CGADHM O=[N+]([O-])c1cc(N=Cc2cccc([O-])c2O)ccc1Cl ZINC000254848870 619223104 /nfs/dbraw/zinc/22/31/04/619223104.db2.gz NWWNPQXZXBTLIY-UHFFFAOYSA-N -1 3 292.678 3.410 20 0 CGADHM O=C([O-])CCN1CCc2ccccc2[C@H]1Cc1ccccc1 ZINC000262044583 619571748 /nfs/dbraw/zinc/57/17/48/619571748.db2.gz SZORZSZVSHGRIQ-GOSISDBHSA-N -1 3 295.382 3.303 20 0 CGADHM Cc1ccsc1CCCC(=O)[N-]OCc1ccccn1 ZINC000909547808 620088202 /nfs/dbraw/zinc/08/82/02/620088202.db2.gz ZRQNHDXPOLZVON-UHFFFAOYSA-N -1 3 290.388 3.022 20 0 CGADHM CCN(Cc1cccc(C(=O)[O-])c1)[C@H](C)c1cccnc1 ZINC000263378185 620314307 /nfs/dbraw/zinc/31/43/07/620314307.db2.gz BBHMNSCDWCUTHI-CYBMUJFWSA-N -1 3 284.359 3.363 20 0 CGADHM Cc1noc(C)c1[C@@H](C)CC(=O)[N-]Oc1ccc(F)cc1 ZINC000898572648 620596898 /nfs/dbraw/zinc/59/68/98/620596898.db2.gz BCTMMEZNVWEGQZ-VIFPVBQESA-N -1 3 292.310 3.034 20 0 CGADHM CC[C@@H]1CCC[C@@]1(C)C(=O)[N-]OCc1cccc(C)n1 ZINC000898928936 620608808 /nfs/dbraw/zinc/60/88/08/620608808.db2.gz MPDLHFBLXJMCOG-CZUORRHYSA-N -1 3 276.380 3.154 20 0 CGADHM Cc1cccc(CO[N-]C(=O)C[C@H](C)CC(C)C)n1 ZINC000898935081 620610994 /nfs/dbraw/zinc/61/09/94/620610994.db2.gz DUPPQNROJSBCNV-GFCCVEGCSA-N -1 3 264.369 3.010 20 0 CGADHM Cc1cc(C)cc(CN2CC3(CCC3)[C@@](F)(C(=O)[O-])C2)c1 ZINC000901915601 621062186 /nfs/dbraw/zinc/06/21/86/621062186.db2.gz OXXIYPDSZUZCMP-KRWDZBQOSA-N -1 3 291.366 3.082 20 0 CGADHM O=C([O-])c1coc(CNC2CC(c3ccccc3F)C2)c1 ZINC000901958322 621080379 /nfs/dbraw/zinc/08/03/79/621080379.db2.gz WAEPVDNSCXXZSQ-UHFFFAOYSA-N -1 3 289.306 3.153 20 0 CGADHM CCCc1ccc(CN2CCSC[C@H]2CC(=O)[O-])s1 ZINC000901983721 621085759 /nfs/dbraw/zinc/08/57/59/621085759.db2.gz ULISHRFQPMOZSN-LLVKDONJSA-N -1 3 299.461 3.093 20 0 CGADHM CC[C@](C)(NCc1cccc(C(=O)[O-])n1)c1ccccc1 ZINC000902236671 621205653 /nfs/dbraw/zinc/20/56/53/621205653.db2.gz UXKXKHIBGKBEJZ-KRWDZBQOSA-N -1 3 284.359 3.195 20 0 CGADHM Cc1cc(=O)[n-]c(CSC2CC3(CCC3)C2)n1 ZINC000902343480 621256675 /nfs/dbraw/zinc/25/66/75/621256675.db2.gz QCBNOUCLMPKVFG-UHFFFAOYSA-N -1 3 250.367 3.057 20 0 CGADHM Cc1cc(CN[C@@H]2C[C@H]2C2CCCCC2)oc1C(=O)[O-] ZINC000902424572 621313141 /nfs/dbraw/zinc/31/31/41/621313141.db2.gz SLKKDXOSSKIQBU-UONOGXRCSA-N -1 3 277.364 3.345 20 0 CGADHM CCc1oc(CN(C)[C@@H](C)CCSC)cc1C(=O)[O-] ZINC000902538995 621356653 /nfs/dbraw/zinc/35/66/53/621356653.db2.gz ALHXUAFDSBZGHY-JTQLQIEISA-N -1 3 285.409 3.114 20 0 CGADHM Cc1ncc([C@@H](C)NCc2ccc(C(=O)[O-])s2)s1 ZINC000903691984 621789591 /nfs/dbraw/zinc/78/95/91/621789591.db2.gz AXVWMIFNAREDLP-SSDOTTSWSA-N -1 3 282.390 3.062 20 0 CGADHM O=C([O-])C[C@@H](CNCc1cscn1)C1CCCCCC1 ZINC000904026784 621859663 /nfs/dbraw/zinc/85/96/63/621859663.db2.gz KWCDTOODJMQNLP-ZDUSSCGKSA-N -1 3 296.436 3.294 20 0 CGADHM O=C([O-])c1ccc(CN[C@H](c2ccncc2)C2CC2)cc1 ZINC000904272567 621896677 /nfs/dbraw/zinc/89/66/77/621896677.db2.gz GYOBABQKQBYWFR-INIZCTEOSA-N -1 3 282.343 3.021 20 0 CGADHM Cc1ccccc1Cc1noc(Cc2ccc([O-])c(F)c2)n1 ZINC000904646887 621951504 /nfs/dbraw/zinc/95/15/04/621951504.db2.gz YBZZXUCZVPTCRC-UHFFFAOYSA-N -1 3 298.317 3.404 20 0 CGADHM C[C@H](NC1CC2(C1)CCCC2)c1ncc(C(=O)[O-])s1 ZINC000905719138 622098485 /nfs/dbraw/zinc/09/84/85/622098485.db2.gz MSIYWZKJPOAMAL-VIFPVBQESA-N -1 3 280.393 3.215 20 0 CGADHM Cc1cccc(-c2noc(-c3cc(=O)[n-]c(C4CC4)n3)n2)c1 ZINC000906096254 622147332 /nfs/dbraw/zinc/14/73/32/622147332.db2.gz PTCMJBWZTZYMMH-UHFFFAOYSA-N -1 3 294.314 3.085 20 0 CGADHM COc1cccc([O-])c1C(=O)N1CC[C@@]2(CC[C@H](C)C2)C1 ZINC000907296995 622291028 /nfs/dbraw/zinc/29/10/28/622291028.db2.gz UIOXXDYXCZDVJC-YVEFUNNKSA-N -1 3 289.375 3.053 20 0 CGADHM COc1cccc([O-])c1C(=O)N1CC2(CCC2)[C@H]1C(C)C ZINC000908344364 622343878 /nfs/dbraw/zinc/34/38/78/622343878.db2.gz NOAKMFVMDHKXNJ-OAHLLOKOSA-N -1 3 289.375 3.052 20 0 CGADHM CCc1nnc(C(=O)[N-]c2ccc(C)cc2SC)s1 ZINC000910412770 622482507 /nfs/dbraw/zinc/48/25/07/622482507.db2.gz SQFAUCHVBHUBAY-UHFFFAOYSA-N -1 3 293.417 3.383 20 0 CGADHM O=C(c1ccccc1[O-])N1CC=CC12CCCCC2 ZINC000912477617 622664746 /nfs/dbraw/zinc/66/47/46/622664746.db2.gz JLMOJZRZUUUAAG-UHFFFAOYSA-N -1 3 257.333 3.107 20 0 CGADHM Cc1ccc(C(=O)N2CC=CC23CCCCC3)c([O-])c1 ZINC000912479245 622667363 /nfs/dbraw/zinc/66/73/63/622667363.db2.gz ZHGSFQQHDVCJBS-UHFFFAOYSA-N -1 3 271.360 3.416 20 0 CGADHM CCCC(C)(C)CC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000913357459 622762056 /nfs/dbraw/zinc/76/20/56/622762056.db2.gz LNFUWMOFKNOXPJ-UHFFFAOYSA-N -1 3 287.367 3.022 20 0 CGADHM CCCC(C)(C)CC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000913357459 622762065 /nfs/dbraw/zinc/76/20/65/622762065.db2.gz LNFUWMOFKNOXPJ-UHFFFAOYSA-N -1 3 287.367 3.022 20 0 CGADHM Cc1cc([C@@H](C)[N-]C(=O)C(F)(F)C(F)F)c(C)s1 ZINC000226604508 622984675 /nfs/dbraw/zinc/98/46/75/622984675.db2.gz ZRCGYVALYTZDTQ-ZCFIWIBFSA-N -1 3 283.290 3.443 20 0 CGADHM O=C(CCc1ccccc1Cl)[N-]OCCC1CC1 ZINC000817437337 625611649 /nfs/dbraw/zinc/61/16/49/625611649.db2.gz KPJLSIZPBCYXBL-UHFFFAOYSA-N -1 3 267.756 3.121 20 0 CGADHM Cc1cccc(S(=O)(=O)[N-]c2cc(C)cnc2Cl)c1 ZINC000230406270 623238084 /nfs/dbraw/zinc/23/80/84/623238084.db2.gz YTVOBHHZGAWKFC-UHFFFAOYSA-N -1 3 296.779 3.153 20 0 CGADHM CCc1nc(NC(=O)[N-]OCc2ccccc2)sc1C ZINC000174338190 623383766 /nfs/dbraw/zinc/38/37/66/623383766.db2.gz GEGLLUSMFRCDKL-UHFFFAOYSA-N -1 3 291.376 3.267 20 0 CGADHM CCC1(CC)CCN(Cc2cccc(C(=O)[O-])n2)CC1 ZINC000232895006 624330804 /nfs/dbraw/zinc/33/08/04/624330804.db2.gz LNGQAPPHWAYQHB-UHFFFAOYSA-N -1 3 276.380 3.182 20 0 CGADHM COc1ccc(C(=O)N2Cc3ccccc3[C@@H](C)C2)c([O-])c1 ZINC000922245096 625989047 /nfs/dbraw/zinc/98/90/47/625989047.db2.gz RZWAIIRPZXRVMX-LBPRGKRZSA-N -1 3 297.354 3.160 20 0 CGADHM CCSc1ccc(CC(=O)[N-]OC2CCCC2)cc1 ZINC000774875195 626181804 /nfs/dbraw/zinc/18/18/04/626181804.db2.gz LMJROKSZTCMJHG-UHFFFAOYSA-N -1 3 279.405 3.332 20 0 CGADHM COCCCO[N-]C(=O)CC1CCC(C(C)(C)C)CC1 ZINC000805040202 626450725 /nfs/dbraw/zinc/45/07/25/626450725.db2.gz IEQGAOKCIDRLLY-UHFFFAOYSA-N -1 3 285.428 3.313 20 0 CGADHM Cc1ccc(C)c(SCc2nc(C)cc(=O)[n-]2)c1 ZINC000754451683 626572370 /nfs/dbraw/zinc/57/23/70/626572370.db2.gz PTVBIHJDRDVTNB-UHFFFAOYSA-N -1 3 260.362 3.400 20 0 CGADHM CC(C)(C)CCC(=O)[N-]OCc1ccc(F)cc1 ZINC000754713518 626583906 /nfs/dbraw/zinc/58/39/06/626583906.db2.gz IIZZIHFZKOCAAL-UHFFFAOYSA-N -1 3 253.317 3.200 20 0 CGADHM C/C(=C/c1ccccc1)CNCc1cc(C(=O)[O-])co1 ZINC000756306678 626690865 /nfs/dbraw/zinc/69/08/65/626690865.db2.gz MNCHRYIDJBKJNS-GHXNOFRVSA-N -1 3 271.316 3.171 20 0 CGADHM O=C(Nc1cccc([O-])c1F)c1cc(Cl)cs1 ZINC000760487683 626973850 /nfs/dbraw/zinc/97/38/50/626973850.db2.gz OXQWOVNKZCDIBJ-UHFFFAOYSA-N -1 3 271.700 3.499 20 0 CGADHM Cc1ccc(-c2n[nH]cc2C=Cc2nccc(=O)[n-]2)cc1 ZINC000764433021 627207281 /nfs/dbraw/zinc/20/72/81/627207281.db2.gz ACBUHAXEXDEAGE-SREVYHEPSA-N -1 3 278.315 3.051 20 0 CGADHM CC(C)(C)c1cnc(CCC(=O)[N-]Oc2ccccc2)o1 ZINC000774275640 627971296 /nfs/dbraw/zinc/97/12/96/627971296.db2.gz NHHUKZPKBAOCKY-UHFFFAOYSA-N -1 3 288.347 3.015 20 0 CGADHM O=C(CCc1ccc(F)cc1F)[N-]Oc1ccccc1 ZINC000774275631 627971686 /nfs/dbraw/zinc/97/16/86/627971686.db2.gz MXTLJLQEKCDNQN-UHFFFAOYSA-N -1 3 277.270 3.008 20 0 CGADHM Cc1ccc(OCCCC(=O)[N-]OC2CCCC2)cc1C ZINC000774865926 628043812 /nfs/dbraw/zinc/04/38/12/628043812.db2.gz JIUUHKCQILOPDC-UHFFFAOYSA-N -1 3 291.391 3.453 20 0 CGADHM O=C(Cc1cccc2cccnc21)[N-]OC1CCCCC1 ZINC000777962314 628315248 /nfs/dbraw/zinc/31/52/48/628315248.db2.gz CVVVGIUNCRWGMQ-UHFFFAOYSA-N -1 3 284.359 3.158 20 0 CGADHM CC(C)c1ccc(COC(=O)c2cnn[n-]2)c(C(C)C)c1 ZINC000805606957 628349813 /nfs/dbraw/zinc/34/98/13/628349813.db2.gz DUMOMMUOIZMNJA-UHFFFAOYSA-N -1 3 287.363 3.409 20 0 CGADHM CC(C)c1ccc(COC(=O)c2c[n-]nn2)c(C(C)C)c1 ZINC000805606957 628349815 /nfs/dbraw/zinc/34/98/15/628349815.db2.gz DUMOMMUOIZMNJA-UHFFFAOYSA-N -1 3 287.363 3.409 20 0 CGADHM O=C1[N-]C(=O)C(=Cc2ccc(SC(F)F)cc2)S1 ZINC000874927647 634653000 /nfs/dbraw/zinc/65/30/00/634653000.db2.gz FQBMIGYIAIZGTQ-YVMONPNESA-N -1 3 287.312 3.325 20 0 CGADHM CC(=O)c1ccc(C(=O)Nc2ccc([O-])cc2F)c(F)c1 ZINC000782855214 628664867 /nfs/dbraw/zinc/66/48/67/628664867.db2.gz MZUZOWKAUKRMFI-UHFFFAOYSA-N -1 3 291.253 3.125 20 0 CGADHM CC[C@](C)(NC(=O)c1cccc2n[n-]nc21)c1ccccc1 ZINC000783614919 628732406 /nfs/dbraw/zinc/73/24/06/628732406.db2.gz RQIDRHRIBQMQNC-KRWDZBQOSA-N -1 3 294.358 3.013 20 0 CGADHM CC(C)COc1ccccc1C(=O)Nc1ncccc1[O-] ZINC000783644885 628734874 /nfs/dbraw/zinc/73/48/74/628734874.db2.gz JXYHWYGGNTYAKY-UHFFFAOYSA-N -1 3 286.331 3.074 20 0 CGADHM Cn1ncc([N-]c2nc3c(cccc3F)o2)c1C1CC1 ZINC000784403248 628812868 /nfs/dbraw/zinc/81/28/68/628812868.db2.gz HXJAPJBVDMJNNM-UHFFFAOYSA-N -1 3 272.283 3.321 20 0 CGADHM O=C(OC[C@@H]1CCC2(CCCC2)O1)c1cc2occc2[n-]1 ZINC000786030612 628908782 /nfs/dbraw/zinc/90/87/82/628908782.db2.gz UBUYRNWLYCJZMJ-NSHDSACASA-N -1 3 289.331 3.410 20 0 CGADHM O=C(O[C@H]1CCCCC1=O)c1cc2sccc2c([O-])c1 ZINC000786137294 628915985 /nfs/dbraw/zinc/91/59/85/628915985.db2.gz KTXSMWXBUMSBIC-ZDUSSCGKSA-N -1 3 290.340 3.275 20 0 CGADHM CC[C@H](C)C(=O)COC(=O)c1cc2sccc2c([O-])c1 ZINC000786139480 628915995 /nfs/dbraw/zinc/91/59/95/628915995.db2.gz JFWGFBOKGJGXRV-VIFPVBQESA-N -1 3 292.356 3.379 20 0 CGADHM CC[C@@H](C)C(=O)COC(=O)c1cc2sccc2c([O-])c1 ZINC000786139479 628916295 /nfs/dbraw/zinc/91/62/95/628916295.db2.gz JFWGFBOKGJGXRV-SECBINFHSA-N -1 3 292.356 3.379 20 0 CGADHM CC[C@H](C)C(=O)COC(=O)CCCc1ccc([O-])c(F)c1 ZINC000787844351 629032706 /nfs/dbraw/zinc/03/27/06/629032706.db2.gz JOMXMIFAANMOFV-NSHDSACASA-N -1 3 296.338 3.012 20 0 CGADHM O=C(CCCc1ccc([O-])c(F)c1)OC/C=C/Cl ZINC000787847877 629032876 /nfs/dbraw/zinc/03/28/76/629032876.db2.gz IILWYJZHKSXNIE-FARCUNLSSA-N -1 3 272.703 3.150 20 0 CGADHM CCCCCC[C@H](C)NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000788277199 629044426 /nfs/dbraw/zinc/04/44/26/629044426.db2.gz FJUWRFOZHYJEGJ-JTQLQIEISA-N -1 3 292.358 3.186 20 0 CGADHM O=C(c1cc([O-])c2ccccc2c1)N1CCc2ncccc21 ZINC000792243313 629351440 /nfs/dbraw/zinc/35/14/40/629351440.db2.gz QPMSSXCIILQDBD-UHFFFAOYSA-N -1 3 290.322 3.143 20 0 CGADHM Cc1cccc(Cl)c1CC(=O)[N-]OC1CCCC1 ZINC000792609055 629370215 /nfs/dbraw/zinc/37/02/15/629370215.db2.gz CNGUZFHARQDNKR-UHFFFAOYSA-N -1 3 267.756 3.181 20 0 CGADHM CCc1cc(=O)[n-]c(CSCCc2cccs2)n1 ZINC000125601571 634739105 /nfs/dbraw/zinc/73/91/05/634739105.db2.gz KQZMGGBSGKVZNB-UHFFFAOYSA-N -1 3 280.418 3.282 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)Cc1ccc(C)cc1Cl ZINC000794863505 629590768 /nfs/dbraw/zinc/59/07/68/629590768.db2.gz IWNGMOWWFRFNPM-SNVBAGLBSA-N -1 3 269.772 3.285 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)Cc1c[nH]c2ccc(Cl)cc12 ZINC000794867141 629591516 /nfs/dbraw/zinc/59/15/16/629591516.db2.gz WLEWWJBZODFMLD-JTQLQIEISA-N -1 3 294.782 3.458 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)CCCC(=O)c1ccc(C)cc1 ZINC000794870587 629592172 /nfs/dbraw/zinc/59/21/72/629592172.db2.gz OMYCHATXVUDTJP-ZDUSSCGKSA-N -1 3 291.391 3.442 20 0 CGADHM CC(C)[C@@H](Cc1ccccc1)C(=O)[N-]O[C@H]1CCCCO1 ZINC000120470859 630040503 /nfs/dbraw/zinc/04/05/03/630040503.db2.gz LYKBAXHVAVADCH-CVEARBPZSA-N -1 3 291.391 3.076 20 0 CGADHM CCC[C@H](CC)SCc1nc2c(c(=O)[n-]1)COCC2 ZINC000865367665 630078321 /nfs/dbraw/zinc/07/83/21/630078321.db2.gz YDNNNLTVDQHEGW-JTQLQIEISA-N -1 3 282.409 3.067 20 0 CGADHM COc1ccccc1CO[N-]C(=O)C[C@@H](C)CC(C)C ZINC000799096066 630141899 /nfs/dbraw/zinc/14/18/99/630141899.db2.gz YIBHAJKSXSGMCX-ZDUSSCGKSA-N -1 3 279.380 3.315 20 0 CGADHM Cc1noc(C2CC2)c1[N-]C(=O)c1cnc(Cl)c(F)c1 ZINC000808724709 630671299 /nfs/dbraw/zinc/67/12/99/630671299.db2.gz ZBFVKJGRLOXSHP-UHFFFAOYSA-N -1 3 295.701 3.300 20 0 CGADHM CON(C[C@@H]1CCC[C@H](C)C1)[C@H](C)c1nc(C)cc(=O)[n-]1 ZINC000810139022 630843273 /nfs/dbraw/zinc/84/32/73/630843273.db2.gz HCLBQTAOUOKPPE-IACUBPJLSA-N -1 3 293.411 3.241 20 0 CGADHM CON(C[C@@H]1CCC[C@@H](C)C1)[C@@H](C)c1nc(C)cc(=O)[n-]1 ZINC000810139026 630843444 /nfs/dbraw/zinc/84/34/44/630843444.db2.gz HCLBQTAOUOKPPE-KWCYVHTRSA-N -1 3 293.411 3.241 20 0 CGADHM Cc1ccc(CC(=O)[N-]O[C@@H](C)c2ccccc2)cc1 ZINC000811018742 631007343 /nfs/dbraw/zinc/00/73/43/631007343.db2.gz FTIKHPHKJFJDQT-AWEZNQCLSA-N -1 3 269.344 3.347 20 0 CGADHM O=C(OCc1cc(Cl)cc(Cl)c1)c1cncc([O-])c1 ZINC000811120121 631029421 /nfs/dbraw/zinc/02/94/21/631029421.db2.gz IKNSUSRTEKEGOA-UHFFFAOYSA-N -1 3 298.125 3.451 20 0 CGADHM O=C([N-]OC/C=C\Cl)C12CC3CC(CC(C3)C1)C2 ZINC000812396599 631243496 /nfs/dbraw/zinc/24/34/96/631243496.db2.gz APGSUWYJJIIHAQ-UPHRSURJSA-N -1 3 269.772 3.003 20 0 CGADHM O=C(CCCCC(=O)c1ccc(F)cc1)[N-]OC1CCC1 ZINC000812787197 631308035 /nfs/dbraw/zinc/30/80/35/631308035.db2.gz HGWQZOMCOCJLRV-UHFFFAOYSA-N -1 3 293.338 3.169 20 0 CGADHM O=C(Cc1csc2ccccc12)[N-]OC1CCC1 ZINC000812795705 631313487 /nfs/dbraw/zinc/31/34/87/631313487.db2.gz JBATWMCAFQOQQF-UHFFFAOYSA-N -1 3 261.346 3.044 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)Cc1c[nH]c2cccc(Cl)c12 ZINC000814323740 631571835 /nfs/dbraw/zinc/57/18/35/631571835.db2.gz GVOPQKHMLFGTLO-JTQLQIEISA-N -1 3 294.782 3.458 20 0 CGADHM CN(C)c1ccc(NCc2c(F)ccc([O-])c2F)cc1 ZINC000816524560 632004510 /nfs/dbraw/zinc/00/45/10/632004510.db2.gz JYUBBPFXKKBJRE-UHFFFAOYSA-N -1 3 278.302 3.349 20 0 CGADHM Cc1nc([N-]C(=O)c2conc2C(F)(F)F)sc1C ZINC000816833864 632056012 /nfs/dbraw/zinc/05/60/12/632056012.db2.gz XXNMSJQQHWAAFA-UHFFFAOYSA-N -1 3 291.254 3.019 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)CCc1ccc([C@H]2C[C@H]2C)o1 ZINC000816975262 632065209 /nfs/dbraw/zinc/06/52/09/632065209.db2.gz DSFXXPLVKKVRJH-SCRDCRAPSA-N -1 3 279.380 3.430 20 0 CGADHM CC[C@H](C)CONC(=O)c1cc([O-])c2ccccc2c1 ZINC000816977193 632067531 /nfs/dbraw/zinc/06/75/31/632067531.db2.gz UAZABEAACWWWOR-NSHDSACASA-N -1 3 273.332 3.253 20 0 CGADHM CCCN(Cc1ccc(C)cc1)C(=O)c1ccc(N)cc1[O-] ZINC000817907109 632233198 /nfs/dbraw/zinc/23/31/98/632233198.db2.gz QUELUCLFWQPSLO-UHFFFAOYSA-N -1 3 298.386 3.335 20 0 CGADHM CC(C)CN(C(=O)c1ccc(N)cc1[O-])C1CCCC1 ZINC000817916674 632235088 /nfs/dbraw/zinc/23/50/88/632235088.db2.gz JKFJREFWQGXQCU-UHFFFAOYSA-N -1 3 276.380 3.015 20 0 CGADHM Cc1ccccc1CC(C)(C)NC(=O)c1ccc(N)cc1[O-] ZINC000817937763 632237945 /nfs/dbraw/zinc/23/79/45/632237945.db2.gz WMQPVIYVCAALAJ-UHFFFAOYSA-N -1 3 298.386 3.034 20 0 CGADHM O=C(Nc1[nH][n-]c2cc(=O)ccc1-2)c1cc2c(s1)CCC2 ZINC000820219567 632591201 /nfs/dbraw/zinc/59/12/01/632591201.db2.gz XDFPPCMYFYMRNK-UHFFFAOYSA-N -1 3 299.355 3.071 20 0 CGADHM O=C(Nc1c([O-])cccc1Cl)c1ccnn1C1CCC1 ZINC000820557982 632646273 /nfs/dbraw/zinc/64/62/73/632646273.db2.gz JPASRXNLLGOMDA-UHFFFAOYSA-N -1 3 291.738 3.219 20 0 CGADHM CC(C)O[N-]C(=O)C1(CCCOCc2ccccc2)CC1 ZINC000821213344 632739344 /nfs/dbraw/zinc/73/93/44/632739344.db2.gz LNLLVIONZBHJPG-UHFFFAOYSA-N -1 3 291.391 3.220 20 0 CGADHM CC(C)c1ncsc1[N-]C(=O)c1cc(Cl)no1 ZINC000823400429 633098838 /nfs/dbraw/zinc/09/88/38/633098838.db2.gz KKUFPFOWQIJTJV-UHFFFAOYSA-N -1 3 271.729 3.160 20 0 CGADHM C[C@H]1CC[C@H](Sc2cccc(-c3nnn[n-]3)c2)C1 ZINC000824915119 633304713 /nfs/dbraw/zinc/30/47/13/633304713.db2.gz BFDIPZASKYECGW-CABZTGNLSA-N -1 3 260.366 3.147 20 0 CGADHM C[C@H]1CC[C@H](Sc2cccc(-c3nn[n-]n3)c2)C1 ZINC000824915119 633304719 /nfs/dbraw/zinc/30/47/19/633304719.db2.gz BFDIPZASKYECGW-CABZTGNLSA-N -1 3 260.366 3.147 20 0 CGADHM CCOCCCCCC(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000868348948 633317172 /nfs/dbraw/zinc/31/71/72/633317172.db2.gz PGURWSYGWZJIJT-UHFFFAOYSA-N -1 3 293.363 3.130 20 0 CGADHM Cc1ccc(-c2nnn[n-]2)cc1NCCCc1ccsc1 ZINC000826278712 633408765 /nfs/dbraw/zinc/40/87/65/633408765.db2.gz PFTFQXDRPPESGJ-UHFFFAOYSA-N -1 3 299.403 3.281 20 0 CGADHM Cc1ccc(-c2nn[n-]n2)cc1NCCCc1ccsc1 ZINC000826278712 633408769 /nfs/dbraw/zinc/40/87/69/633408769.db2.gz PFTFQXDRPPESGJ-UHFFFAOYSA-N -1 3 299.403 3.281 20 0 CGADHM CCO[C@@H](C(=O)Nc1cccc([O-])c1F)C1CCCC1 ZINC000867059595 633679090 /nfs/dbraw/zinc/67/90/90/633679090.db2.gz YJQFOTGUUJEDKD-CQSZACIVSA-N -1 3 281.327 3.065 20 0 CGADHM O=C(Cc1cccc(Cl)c1)[N-]OCCCC(F)(F)F ZINC000871211321 633727186 /nfs/dbraw/zinc/72/71/86/633727186.db2.gz OEDVMFDFZLQUFJ-UHFFFAOYSA-N -1 3 295.688 3.273 20 0 CGADHM CCOCCO[N-]C(=O)C1=C(c2ccccc2)CCCC1 ZINC000829748573 633773663 /nfs/dbraw/zinc/77/36/63/633773663.db2.gz RXEFAVDLQDJHGR-UHFFFAOYSA-N -1 3 289.375 3.099 20 0 CGADHM CCc1noc(C)c1CN[C@H](C)c1cccc([O-])c1F ZINC000872073716 633995628 /nfs/dbraw/zinc/99/56/28/633995628.db2.gz QXJRJLDYQQSSJQ-SECBINFHSA-N -1 3 278.327 3.241 20 0 CGADHM CCn1cc([C@@H](C)N[C@@H](C)c2cccc([O-])c2F)cn1 ZINC000872077702 634000202 /nfs/dbraw/zinc/00/02/02/634000202.db2.gz LIVWILDYMUGPKZ-MNOVXSKESA-N -1 3 277.343 3.160 20 0 CGADHM C[C@@H](N[C@@H]1COCc2ccccc21)c1cccc([O-])c1F ZINC000872080810 634005027 /nfs/dbraw/zinc/00/50/27/634005027.db2.gz SNEPAWHOIIVXSW-IAQYHMDHSA-N -1 3 287.334 3.453 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)C[C@H]1CSc2ccccc2O1 ZINC000832740633 634089461 /nfs/dbraw/zinc/08/94/61/634089461.db2.gz XGXVUOQHGHBULE-NEPJUHHUSA-N -1 3 295.404 3.024 20 0 CGADHM O=C(NCCC[C@H]1C=CCC1)NCc1ccc([O-])c(F)c1 ZINC000873134690 634255040 /nfs/dbraw/zinc/25/50/40/634255040.db2.gz BXZNUTKCCBELQN-LBPRGKRZSA-N -1 3 292.354 3.077 20 0 CGADHM [O-]c1ccc(CNCc2cnc(C3CC3)nc2)cc1Cl ZINC000873179678 634273481 /nfs/dbraw/zinc/27/34/81/634273481.db2.gz MVWXFQRKFOTCGR-UHFFFAOYSA-N -1 3 289.766 3.003 20 0 CGADHM CO[C@H]1C[C@@H](COC(=O)c2cc3cc(Cl)sc3[n-]2)C1 ZINC000873392947 634356473 /nfs/dbraw/zinc/35/64/73/634356473.db2.gz AZPAHXJKLFGNPQ-OTSSQURYSA-N -1 3 299.779 3.465 20 0 CGADHM C[C@@H](C1CC1)N(C(=O)c1ccc(N)cc1[O-])c1ccccc1 ZINC000877138666 634999302 /nfs/dbraw/zinc/99/93/02/634999302.db2.gz AKAACZTUQQMIOP-LBPRGKRZSA-N -1 3 296.370 3.420 20 0 CGADHM CC(C)=CCOc1cccc(CC(=O)[N-]OCC2CC2)c1 ZINC000841439735 635175005 /nfs/dbraw/zinc/17/50/05/635175005.db2.gz QWTCJSIFEDSQDC-UHFFFAOYSA-N -1 3 289.375 3.032 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)N[C@H](C)c2cc3cnccc3o2)n1 ZINC000879715009 635841403 /nfs/dbraw/zinc/84/14/03/635841403.db2.gz NKERJYRZKMKDAP-GHMZBOCLSA-N -1 3 298.346 3.044 20 0 CGADHM CSc1cc(NC([O-])=NO[C@@H]2CCCCO2)ccc1C ZINC000844845049 635974107 /nfs/dbraw/zinc/97/41/07/635974107.db2.gz RYLMAILWZHZCTP-CYBMUJFWSA-N -1 3 296.392 3.297 20 0 CGADHM CSc1cc(NC(=O)[N-]O[C@@H]2CCCCO2)ccc1C ZINC000844845049 635974112 /nfs/dbraw/zinc/97/41/12/635974112.db2.gz RYLMAILWZHZCTP-CYBMUJFWSA-N -1 3 296.392 3.297 20 0 CGADHM CC(C)(C)SCC(=O)Nc1cccc([O-])c1F ZINC000129000635 636107986 /nfs/dbraw/zinc/10/79/86/636107986.db2.gz BUWWFMXCFBODMO-UHFFFAOYSA-N -1 3 257.330 3.002 20 0 CGADHM CC(C)O[C@@H]1CCCN(Cc2c(F)ccc([O-])c2F)C1 ZINC000846015846 636130003 /nfs/dbraw/zinc/13/00/03/636130003.db2.gz NRXJGMNQFVLRPV-LLVKDONJSA-N -1 3 285.334 3.060 20 0 CGADHM C[C@@H](NCc1ncc(-c2ccccc2)s1)[C@H](C)C(=O)[O-] ZINC000846229298 636164476 /nfs/dbraw/zinc/16/44/76/636164476.db2.gz SKMRHIHXGUWFNZ-WDEREUQCSA-N -1 3 290.388 3.009 20 0 CGADHM CCCCOc1ccc(C(=O)N2CC[C@@H](CF)C2)c([O-])c1 ZINC000881672674 636185803 /nfs/dbraw/zinc/18/58/03/636185803.db2.gz DGBLNNKPQQAQAG-LBPRGKRZSA-N -1 3 295.354 3.003 20 0 CGADHM O=C(Nc1cccc([O-])c1F)c1cc(Cl)c(Cl)[nH]1 ZINC000129471430 636267576 /nfs/dbraw/zinc/26/75/76/636267576.db2.gz UPMHPSSXOXYYCL-UHFFFAOYSA-N -1 3 289.093 3.419 20 0 CGADHM Cc1ccc(-c2cc(C(=O)OC[C@]3(C)CC3(F)F)n[n-]2)o1 ZINC000851265373 637327788 /nfs/dbraw/zinc/32/77/88/637327788.db2.gz YGLAOMOTYFYJTQ-ZDUSSCGKSA-N -1 3 296.273 3.180 20 0 CGADHM Cc1ccc(-c2cc(C(=O)OC[C@]3(C)CC3(F)F)[n-]n2)o1 ZINC000851265373 637327802 /nfs/dbraw/zinc/32/78/02/637327802.db2.gz YGLAOMOTYFYJTQ-ZDUSSCGKSA-N -1 3 296.273 3.180 20 0 CGADHM O=C(OCc1coc(-c2ccccc2)n1)c1ccc([O-])cc1 ZINC000137114443 637411917 /nfs/dbraw/zinc/41/19/17/637411917.db2.gz XBYSKOVNVBJRSH-UHFFFAOYSA-N -1 3 295.294 3.404 20 0 CGADHM CC(C)(C)CC(=O)[N-]OCc1ccsc1Cl ZINC000853706357 637897912 /nfs/dbraw/zinc/89/79/12/637897912.db2.gz IXOILPSZDTUPQY-UHFFFAOYSA-N -1 3 261.774 3.386 20 0 CGADHM CCC(F)(F)C(=O)[N-]Cc1cccc(C(F)(F)F)c1 ZINC000854208806 638020671 /nfs/dbraw/zinc/02/06/71/638020671.db2.gz WIXQQPNIBZWBCA-UHFFFAOYSA-N -1 3 281.224 3.367 20 0 CGADHM O=C(C[C@@H](c1ccc(O)cc1)C1CC1)[N-]Oc1ccccc1 ZINC000854535529 638067587 /nfs/dbraw/zinc/06/75/87/638067587.db2.gz APXNRBHGPPAIBP-QGZVFWFLSA-N -1 3 297.354 3.386 20 0 CGADHM Cc1ccc2c(CCC(=O)[N-]OCC3CCC3)c[nH]c2c1 ZINC000856348131 638348865 /nfs/dbraw/zinc/34/88/65/638348865.db2.gz QMSUCTQPRKTSJP-UHFFFAOYSA-N -1 3 286.375 3.257 20 0 CGADHM O=C(CCSCc1ccccc1)[N-]OCC1CCC1 ZINC000856351507 638350941 /nfs/dbraw/zinc/35/09/41/638350941.db2.gz LCHJUTCOKDLSGW-UHFFFAOYSA-N -1 3 279.405 3.158 20 0 CGADHM Cc1cccc(CC(=O)[N-]OCC2CCC2)c1Cl ZINC000856350808 638351159 /nfs/dbraw/zinc/35/11/59/638351159.db2.gz QVQGGKJIDGPKFF-UHFFFAOYSA-N -1 3 267.756 3.039 20 0 CGADHM O=C(OCc1cccc2cccnc21)c1ccc([O-])cc1 ZINC000011297572 638401826 /nfs/dbraw/zinc/40/18/26/638401826.db2.gz MWGVOJSGOWNKMS-UHFFFAOYSA-N -1 3 279.295 3.297 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)c1c(F)ccc(F)c1Cl ZINC000857266620 638486015 /nfs/dbraw/zinc/48/60/15/638486015.db2.gz XXGOUKOWGPWDMZ-SSDOTTSWSA-N -1 3 277.698 3.326 20 0 CGADHM Cc1cccc(Cl)c1C(=O)Nc1ncccc1[O-] ZINC000857485748 638510903 /nfs/dbraw/zinc/51/09/03/638510903.db2.gz CHSWWAJYMQJGEW-UHFFFAOYSA-N -1 3 262.696 3.001 20 0 CGADHM CCON(CC1CCCCC1)C(=O)c1ccccc1[O-] ZINC000857531456 638514162 /nfs/dbraw/zinc/51/41/62/638514162.db2.gz KJKSVUYJAPSCLM-UHFFFAOYSA-N -1 3 277.364 3.366 20 0 CGADHM Cc1nc(C(C)C)oc1C(=O)[N-]c1ccnc(F)c1F ZINC000857696362 638555174 /nfs/dbraw/zinc/55/51/74/638555174.db2.gz LBUUWAUZDPEGOT-UHFFFAOYSA-N -1 3 281.262 3.032 20 0 CGADHM O=C(c1cc2sccc2c([O-])c1)N1CC(CC2CC2)C1 ZINC000857737834 638561203 /nfs/dbraw/zinc/56/12/03/638561203.db2.gz DSNSYFUBFQYBKE-UHFFFAOYSA-N -1 3 287.384 3.479 20 0 CGADHM CC1CC(CNC(=O)c2cc3sccc3c([O-])c2)C1 ZINC000857735812 638561249 /nfs/dbraw/zinc/56/12/49/638561249.db2.gz FSZOLWADMAWIJM-UHFFFAOYSA-N -1 3 275.373 3.383 20 0 CGADHM CCCc1ncc(CN[C@@H](C)c2cc([O-])cc(F)c2)o1 ZINC000926537311 638782708 /nfs/dbraw/zinc/78/27/08/638782708.db2.gz KLTJPZXOBGRQCC-JTQLQIEISA-N -1 3 278.327 3.323 20 0 CGADHM CSCCCCCCC(=O)Nc1ncccc1[O-] ZINC000860735768 639413161 /nfs/dbraw/zinc/41/31/61/639413161.db2.gz OQTYONYWNWVSHM-UHFFFAOYSA-N -1 3 268.382 3.039 20 0 CGADHM O=C(Cc1cccc2cnccc21)[N-]OC1CCCCC1 ZINC000860992211 639482756 /nfs/dbraw/zinc/48/27/56/639482756.db2.gz HDVHROXTFYUNJP-UHFFFAOYSA-N -1 3 284.359 3.158 20 0 CGADHM CCOc1cccc(CCC(=O)[N-]OC[C@@H](C)CC)c1 ZINC000861809309 639615844 /nfs/dbraw/zinc/61/58/44/639615844.db2.gz QUMJDRQWDZIGPB-ZDUSSCGKSA-N -1 3 279.380 3.112 20 0 CGADHM CCCC[C@H](Nc1ccnc2ccccc21)C(=O)[O-] ZINC000041719843 639907309 /nfs/dbraw/zinc/90/73/09/639907309.db2.gz JLXRDCZBIMAMEJ-AWEZNQCLSA-N -1 3 258.321 3.290 20 0 CGADHM CCc1ccc(C(=O)N2CCCCCCC2)c([O-])c1 ZINC000188865383 640156208 /nfs/dbraw/zinc/15/62/08/640156208.db2.gz VSVMQEUQWYAWQQ-UHFFFAOYSA-N -1 3 261.365 3.361 20 0 CGADHM Cc1csc(CNCc2c([O-])ccc(Cl)c2F)n1 ZINC000190734700 640264335 /nfs/dbraw/zinc/26/43/35/640264335.db2.gz UKYSTECZYPFQCM-UHFFFAOYSA-N -1 3 286.759 3.239 20 0 CGADHM Cc1nc(-c2nc3c([n-]2)c(F)c(F)c(F)c3F)co1 ZINC001250510781 805667199 /nfs/dbraw/zinc/66/71/99/805667199.db2.gz RSPCOIVOCLYUHK-UHFFFAOYSA-N -1 3 271.173 3.083 20 0 CGADHM COCOc1ccc(Nc2c(F)cc([O-])cc2F)cc1 ZINC001211643664 814924514 /nfs/dbraw/zinc/92/45/14/814924514.db2.gz CKJJHYWYMXSCNX-UHFFFAOYSA-N -1 3 281.258 3.397 20 0 CGADHM CC(C)(NC(=O)c1cc2sccc2c([O-])c1)C(F)F ZINC001156895951 805748049 /nfs/dbraw/zinc/74/80/49/805748049.db2.gz YUYIVDHSHULRAI-UHFFFAOYSA-N -1 3 285.315 3.380 20 0 CGADHM CC(=O)Nc1ccc2nc(-c3cccc(F)c3[O-])[nH]c2c1 ZINC001250683405 805754718 /nfs/dbraw/zinc/75/47/18/805754718.db2.gz FCYOACNZRZCGDP-UHFFFAOYSA-N -1 3 285.278 3.033 20 0 CGADHM CSc1ccc([O-])c(C(=O)NN2[C@H](C)CCC[C@@H]2C)c1 ZINC001157468895 805817766 /nfs/dbraw/zinc/81/77/66/805817766.db2.gz SCUAHBPJRNRIDP-PHIMTYICSA-N -1 3 294.420 3.022 20 0 CGADHM CN(C)c1ccc2nc(-c3cc(F)c([O-])cc3F)[nH]c2c1 ZINC001251010564 805828077 /nfs/dbraw/zinc/82/80/77/805828077.db2.gz CMIMSESZUZYLNS-UHFFFAOYSA-N -1 3 289.285 3.280 20 0 CGADHM O=S(=O)([N-]c1ccnc(C2CCC2)c1)c1ccccc1 ZINC001251116582 805850638 /nfs/dbraw/zinc/85/06/38/805850638.db2.gz NUJXWEWHVRQAIM-UHFFFAOYSA-N -1 3 288.372 3.150 20 0 CGADHM COc1ccc2nc(-c3ccc(F)c([O-])c3F)[nH]c2c1 ZINC001251234689 805867770 /nfs/dbraw/zinc/86/77/70/805867770.db2.gz HTMDPGSCRMXVSK-UHFFFAOYSA-N -1 3 276.242 3.222 20 0 CGADHM COc1cccc2[nH]c(-c3cccc([O-])c3F)nc21 ZINC001251255498 805871496 /nfs/dbraw/zinc/87/14/96/805871496.db2.gz NVTFPUPUACFVFW-UHFFFAOYSA-N -1 3 258.252 3.083 20 0 CGADHM COc1ccc2[nH]c(-c3cccc([O-])c3F)nc2c1 ZINC001251254941 805872477 /nfs/dbraw/zinc/87/24/77/805872477.db2.gz BYQKBSLABQSECI-UHFFFAOYSA-N -1 3 258.252 3.083 20 0 CGADHM O=c1ccc2c(-c3nc4cc(F)ccc4[nH]3)ccc([O-])c2[nH]1 ZINC001251307741 805879418 /nfs/dbraw/zinc/87/94/18/805879418.db2.gz YOSMGLCOMJPWIV-UHFFFAOYSA-N -1 3 295.273 3.328 20 0 CGADHM Fc1cc(F)c(F)c2nc(-c3nccnc3Cl)[n-]c21 ZINC001251461426 805897945 /nfs/dbraw/zinc/89/79/45/805897945.db2.gz SYUYJGZKHPMESF-UHFFFAOYSA-N -1 3 284.628 3.091 20 0 CGADHM Fc1cc(F)c(F)c2[n-]c(-c3nccnc3Cl)nc21 ZINC001251461426 805897952 /nfs/dbraw/zinc/89/79/52/805897952.db2.gz SYUYJGZKHPMESF-UHFFFAOYSA-N -1 3 284.628 3.091 20 0 CGADHM CCc1ccc(C(=O)NC(C)(C)C2CCC2)c([O-])c1 ZINC001158718067 805988613 /nfs/dbraw/zinc/98/86/13/805988613.db2.gz DTZMITOMYKFBIL-UHFFFAOYSA-N -1 3 261.365 3.263 20 0 CGADHM COc1cccc(-c2nnc(-c3c(C)cccc3[O-])o2)c1 ZINC001253350721 806207845 /nfs/dbraw/zinc/20/78/45/806207845.db2.gz USZHADVHVZUWCN-UHFFFAOYSA-N -1 3 282.299 3.426 20 0 CGADHM CCC(CC)Oc1ccccc1[N-]S(=O)(=O)CC ZINC001253366966 806210614 /nfs/dbraw/zinc/21/06/14/806210614.db2.gz NEGBGNSDTKPGAO-UHFFFAOYSA-N -1 3 271.382 3.016 20 0 CGADHM CCCCC[C@H](O)CNc1cc(F)c([O-])c(F)c1 ZINC001253537801 806240455 /nfs/dbraw/zinc/24/04/55/806240455.db2.gz BQWIATPZXPLPBN-JTQLQIEISA-N -1 3 259.296 3.024 20 0 CGADHM CCCS(=O)(=O)[N-]c1c(C)cccc1C(F)(F)F ZINC001253692254 806279637 /nfs/dbraw/zinc/27/96/37/806279637.db2.gz CMDANANXELOKCK-UHFFFAOYSA-N -1 3 281.299 3.166 20 0 CGADHM CCCCS(=O)(=O)[N-]c1c(Cl)ccc2cccnc21 ZINC001253856375 806317947 /nfs/dbraw/zinc/31/79/47/806317947.db2.gz ZAFDFNWMGHPZMJ-UHFFFAOYSA-N -1 3 298.795 3.430 20 0 CGADHM CCc1cc(NC(=O)c2cc([O-])c3ccccc3c2)nn1C ZINC001162457556 806588744 /nfs/dbraw/zinc/58/87/44/806588744.db2.gz KKRJDCSKRUFHKE-UHFFFAOYSA-N -1 3 295.342 3.094 20 0 CGADHM O=C(OCCC(F)(F)F)c1cc(Cl)c(Cl)[n-]1 ZINC000126715675 799008705 /nfs/dbraw/zinc/00/87/05/799008705.db2.gz MIDYLUFWMDJUFR-UHFFFAOYSA-N -1 3 276.041 3.431 20 0 CGADHM CC[C@H]1CCCN(Cc2cc(F)c([O-])c(F)c2)C1 ZINC000132245773 799030993 /nfs/dbraw/zinc/03/09/93/799030993.db2.gz MFVVWDUZXDWKPA-JTQLQIEISA-N -1 3 255.308 3.292 20 0 CGADHM Cc1cccc(OCCC(=O)[N-]OC2CCCC2)c1C ZINC000135131079 799036809 /nfs/dbraw/zinc/03/68/09/799036809.db2.gz VVDHQLNZLCILPP-UHFFFAOYSA-N -1 3 277.364 3.063 20 0 CGADHM Cc1ccccc1NC(=O)Nc1ccc([O-])c(F)c1 ZINC000168908782 799086940 /nfs/dbraw/zinc/08/69/40/799086940.db2.gz UNSKJNJDZVZPRP-UHFFFAOYSA-N -1 3 260.268 3.484 20 0 CGADHM O=C(c1cc([O-])ccc1Cl)N1CC[C@H](C(F)(F)F)C1 ZINC000381850432 799389390 /nfs/dbraw/zinc/38/93/90/799389390.db2.gz SRWHWCRPVHZNEZ-ZETCQYMHSA-N -1 3 293.672 3.070 20 0 CGADHM C[C@@H](N[C@@H](C)CCC1CC1)c1ncc(C(=O)[O-])s1 ZINC000398133050 799527332 /nfs/dbraw/zinc/52/73/32/799527332.db2.gz WQINEONVFCIQEZ-DTWKUNHWSA-N -1 3 268.382 3.071 20 0 CGADHM CCCC[C@H](CC)CNC(=O)c1c([O-])cccc1OC ZINC000405272836 799582257 /nfs/dbraw/zinc/58/22/57/799582257.db2.gz POQKPOUXWMLDAB-LBPRGKRZSA-N -1 3 279.380 3.347 20 0 CGADHM O=C([O-])[C@]12CCC[C@H]1N(Cc1cc(Cl)ccc1F)CC2 ZINC000711653174 800068009 /nfs/dbraw/zinc/06/80/09/800068009.db2.gz INGHKYMKUCRIPD-HIFRSBDPSA-N -1 3 297.757 3.308 20 0 CGADHM O=C(C[C@H]1CCCC1(F)F)[N-]OCc1ccccc1 ZINC000713922155 800115049 /nfs/dbraw/zinc/11/50/49/800115049.db2.gz QXINISJWIBZDHF-GFCCVEGCSA-N -1 3 269.291 3.060 20 0 CGADHM Cc1cnc(-c2cc([O-])cc(C(F)(F)F)c2)nc1 ZINC000715549958 800138834 /nfs/dbraw/zinc/13/88/34/800138834.db2.gz PUHWAKNUZJIIJY-UHFFFAOYSA-N -1 3 254.211 3.176 20 0 CGADHM COc1ccc2ncc([O-])c(-c3nnc([C@@H]4C[C@@H]4C)o3)c2c1 ZINC001256645666 806938022 /nfs/dbraw/zinc/93/80/22/806938022.db2.gz JNSMMHKESWKQQE-WCBMZHEXSA-N -1 3 297.314 3.122 20 0 CGADHM Cc1cc2ccccc2c(NCCCc2c[n-][nH]c2=O)c1 ZINC001164395990 806944337 /nfs/dbraw/zinc/94/43/37/806944337.db2.gz PKLWGGIJZJEDRJ-CQSZACIVSA-N -1 3 281.359 3.072 20 0 CGADHM O=c1cc(Nc2ccccc2OC(F)F)nc(C2CC2)[n-]1 ZINC001176009778 809601449 /nfs/dbraw/zinc/60/14/49/809601449.db2.gz PTMHHPIPHMTBFK-UHFFFAOYSA-N -1 3 293.273 3.405 20 0 CGADHM CC(C)c1nc(CNC2(CC(=O)[O-])CCCC2)cs1 ZINC001119536003 802676930 /nfs/dbraw/zinc/67/69/30/802676930.db2.gz DJVCSTRCTKEYMB-UHFFFAOYSA-N -1 3 282.409 3.144 20 0 CGADHM Cc1ncnc(-c2ccc([O-])cc2C(F)(F)F)c1F ZINC001205073122 812848707 /nfs/dbraw/zinc/84/87/07/812848707.db2.gz GFFCHKDFWUFAIN-UHFFFAOYSA-N -1 3 272.201 3.316 20 0 CGADHM Fc1cc(-c2cc(C3CC3)cnc2F)ccc1-c1nnn[n-]1 ZINC001243868077 803055926 /nfs/dbraw/zinc/05/59/26/803055926.db2.gz UPUZUBJTDAFFAX-UHFFFAOYSA-N -1 3 299.284 3.084 20 0 CGADHM Fc1cc(-c2cc(C3CC3)cnc2F)ccc1-c1nn[n-]n1 ZINC001243868077 803055932 /nfs/dbraw/zinc/05/59/32/803055932.db2.gz UPUZUBJTDAFFAX-UHFFFAOYSA-N -1 3 299.284 3.084 20 0 CGADHM Cc1nc2cc(-c3ccc(=S)[n-]n3)ccc2s1 ZINC001243938146 803088864 /nfs/dbraw/zinc/08/88/64/803088864.db2.gz BESPUMGXWORRJW-UHFFFAOYSA-N -1 3 259.359 3.350 20 0 CGADHM COc1ccc(-c2ccc(-c3nnn[n-]3)c(F)c2)c(C)c1C ZINC001244002796 803133733 /nfs/dbraw/zinc/13/37/33/803133733.db2.gz PCVKEHJESNNABE-UHFFFAOYSA-N -1 3 298.321 3.298 20 0 CGADHM COc1ccc(-c2ccc(-c3nn[n-]n3)c(F)c2)c(C)c1C ZINC001244002796 803133736 /nfs/dbraw/zinc/13/37/36/803133736.db2.gz PCVKEHJESNNABE-UHFFFAOYSA-N -1 3 298.321 3.298 20 0 CGADHM COCCOc1cncc(-c2c([O-])cccc2Cl)c1 ZINC001244048225 803160824 /nfs/dbraw/zinc/16/08/24/803160824.db2.gz WYZYHFKCLCFCCO-UHFFFAOYSA-N -1 3 279.723 3.133 20 0 CGADHM Nc1ccnc2cc(-c3cc(F)c([O-])c(F)c3)ccc12 ZINC001244096239 803183901 /nfs/dbraw/zinc/18/39/01/803183901.db2.gz GBQSJLQEHNTEQM-UHFFFAOYSA-N -1 3 272.254 3.468 20 0 CGADHM c1ccc(-c2ccccc2N2CCCC2)c(-c2nnn[n-]2)c1 ZINC001244179423 803228730 /nfs/dbraw/zinc/22/87/30/803228730.db2.gz LBIQDVVTIKOCCR-UHFFFAOYSA-N -1 3 291.358 3.134 20 0 CGADHM c1ccc(-c2ccccc2N2CCCC2)c(-c2nn[n-]n2)c1 ZINC001244179423 803228732 /nfs/dbraw/zinc/22/87/32/803228732.db2.gz LBIQDVVTIKOCCR-UHFFFAOYSA-N -1 3 291.358 3.134 20 0 CGADHM Cc1nocc1[N-]C(=O)c1cc(F)c(F)cc1Cl ZINC001130354659 803281600 /nfs/dbraw/zinc/28/16/00/803281600.db2.gz YLGXWIGRNDNJSR-UHFFFAOYSA-N -1 3 272.638 3.167 20 0 CGADHM Cc1ccc(O)c(-c2cc(C(F)(F)F)[n-]c(=S)n2)c1 ZINC001244402032 803351015 /nfs/dbraw/zinc/35/10/15/803351015.db2.gz AATYERBUEZMPPS-UHFFFAOYSA-N -1 3 286.278 3.465 20 0 CGADHM CS(=O)(=O)Cc1cccc(-c2ccc(Cl)cc2[O-])c1 ZINC001244473308 803388505 /nfs/dbraw/zinc/38/85/05/803388505.db2.gz VICRSEBMCHXSCL-UHFFFAOYSA-N -1 3 296.775 3.257 20 0 CGADHM Cc1cc(-c2nccc(N3CCCCC3)n2)cc([O-])c1F ZINC001244508816 803411863 /nfs/dbraw/zinc/41/18/63/803411863.db2.gz XXBXMXOWDCGEHZ-UHFFFAOYSA-N -1 3 287.338 3.287 20 0 CGADHM CC(=O)N1CCc2cc(-c3cc(C)c(F)c([O-])c3)ccc21 ZINC001244516684 803414209 /nfs/dbraw/zinc/41/42/09/803414209.db2.gz ZUVLKXSKZXRAFB-UHFFFAOYSA-N -1 3 285.318 3.416 20 0 CGADHM CNC(=O)c1ccc(-c2cc(C)c(F)c([O-])c2)cc1F ZINC001244518944 803414910 /nfs/dbraw/zinc/41/49/10/803414910.db2.gz BDMFNKYPTJMCNZ-UHFFFAOYSA-N -1 3 277.270 3.005 20 0 CGADHM Cc1cc(-c2ccc3c(c2)NC(=O)C3)cc([O-])c1F ZINC001244518328 803415539 /nfs/dbraw/zinc/41/55/39/803415539.db2.gz SYGYWSDVOLOZCB-UHFFFAOYSA-N -1 3 257.264 3.001 20 0 CGADHM Cc1cc(-c2ccc3ncc(C(N)=O)cc3c2)cc([O-])c1F ZINC001244519268 803415698 /nfs/dbraw/zinc/41/56/98/803415698.db2.gz FVRDBJSBXJPEDT-UHFFFAOYSA-N -1 3 296.301 3.154 20 0 CGADHM CCN(CC)c1ncc(-c2cc(C)c(F)c([O-])c2)cn1 ZINC001244525227 803418847 /nfs/dbraw/zinc/41/88/47/803418847.db2.gz MRHUAMZLWRMKTB-UHFFFAOYSA-N -1 3 275.327 3.143 20 0 CGADHM COc1c(C)ccc(F)c1-c1ccc(-c2nnn[n-]2)cc1C ZINC001244529077 803422036 /nfs/dbraw/zinc/42/20/36/803422036.db2.gz YTNPVVGFHRFGRP-UHFFFAOYSA-N -1 3 298.321 3.298 20 0 CGADHM COc1c(C)ccc(F)c1-c1ccc(-c2nn[n-]n2)cc1C ZINC001244529077 803422038 /nfs/dbraw/zinc/42/20/38/803422038.db2.gz YTNPVVGFHRFGRP-UHFFFAOYSA-N -1 3 298.321 3.298 20 0 CGADHM COc1ccc(-c2cc(C)c([O-])c(Cl)c2)c(OC)n1 ZINC001244537628 803425061 /nfs/dbraw/zinc/42/50/61/803425061.db2.gz BKDWRMOHVLOLOF-UHFFFAOYSA-N -1 3 279.723 3.433 20 0 CGADHM Cc1cc(-c2cn(C)c(=O)c3[nH]ccc32)cc(Cl)c1[O-] ZINC001244551233 803433844 /nfs/dbraw/zinc/43/38/44/803433844.db2.gz UEUHNGISLSQNDZ-UHFFFAOYSA-N -1 3 288.734 3.201 20 0 CGADHM Cc1nnc2ccc(-c3cc(C)c([O-])c(Cl)c3)cn12 ZINC001244550973 803434025 /nfs/dbraw/zinc/43/40/25/803434025.db2.gz PWJDCKWFDVYRSO-UHFFFAOYSA-N -1 3 273.723 3.372 20 0 CGADHM CNc1cc(-c2ccc3c(c2)[N-]C(=S)C3)ccn1 ZINC001244977932 803601220 /nfs/dbraw/zinc/60/12/20/803601220.db2.gz NQIXHCIOOQUZSN-UHFFFAOYSA-N -1 3 255.346 3.086 20 0 CGADHM Cc1ccc(F)c([N-]C(=O)c2nnc(-c3ccco3)o2)c1 ZINC001135674879 803609313 /nfs/dbraw/zinc/60/93/13/803609313.db2.gz PGHJPLOWISNKEO-UHFFFAOYSA-N -1 3 287.250 3.029 20 0 CGADHM CN(C)Cc1cccc(-c2cc(Cl)ccc2[O-])n1 ZINC001245050274 803622253 /nfs/dbraw/zinc/62/22/53/803622253.db2.gz DTTOSIYCEJAQGI-UHFFFAOYSA-N -1 3 262.740 3.169 20 0 CGADHM O=C(Cc1ccc(F)c(Cl)c1)[N-]OCc1ccccc1 ZINC001136108614 803631083 /nfs/dbraw/zinc/63/10/83/803631083.db2.gz VZLJLCIIBYFXQX-UHFFFAOYSA-N -1 3 293.725 3.270 20 0 CGADHM CCN(CC)c1cc(-c2ccc([O-])cc2Cl)ncn1 ZINC001245077981 803634059 /nfs/dbraw/zinc/63/40/59/803634059.db2.gz KQUKMSPNCZIXRE-UHFFFAOYSA-N -1 3 277.755 3.349 20 0 CGADHM COc1c(C)cccc1-c1ccc(C)c(-c2nnn[n-]2)c1 ZINC001245364713 803714309 /nfs/dbraw/zinc/71/43/09/803714309.db2.gz AEGWNRZOZZLROM-UHFFFAOYSA-N -1 3 280.331 3.159 20 0 CGADHM COc1c(C)cccc1-c1ccc(C)c(-c2nn[n-]n2)c1 ZINC001245364713 803714311 /nfs/dbraw/zinc/71/43/11/803714311.db2.gz AEGWNRZOZZLROM-UHFFFAOYSA-N -1 3 280.331 3.159 20 0 CGADHM CCc1cccc(C(=O)N[C@@H]2COc3ccc(C)cc32)c1[O-] ZINC001137330317 803716589 /nfs/dbraw/zinc/71/65/89/803716589.db2.gz JNYKLUJHAUFGPO-OAHLLOKOSA-N -1 3 297.354 3.127 20 0 CGADHM [O-]c1ccc(Nc2cc(-c3ccncc3)no2)c(F)c1F ZINC001212003034 814964901 /nfs/dbraw/zinc/96/49/01/814964901.db2.gz OMGPDKFGGDWXLX-UHFFFAOYSA-N -1 3 289.241 3.464 20 0 CGADHM CC(=O)Nc1ccc(-c2ccc3c(c2)[N-]C(=S)C3)cn1 ZINC001245516614 803783718 /nfs/dbraw/zinc/78/37/18/803783718.db2.gz LYDHFRUYNUJJSH-UHFFFAOYSA-N -1 3 283.356 3.002 20 0 CGADHM O=C(Nc1ncccc1[O-])[C@@H]1CCC[C@H]1c1ccccc1 ZINC001138165962 803869727 /nfs/dbraw/zinc/86/97/27/803869727.db2.gz YEKSSPCUTMTYHL-UONOGXRCSA-N -1 3 282.343 3.310 20 0 CGADHM Nc1ccc2cc(-c3c([O-])cccc3F)ccc2n1 ZINC001245655934 803887859 /nfs/dbraw/zinc/88/78/59/803887859.db2.gz GIBAXFATHMGWLO-UHFFFAOYSA-N -1 3 254.264 3.329 20 0 CGADHM O=c1ccc(-c2c([O-])cccc2F)cn1-c1ccccc1F ZINC001245655839 803888165 /nfs/dbraw/zinc/88/81/65/803888165.db2.gz PQCSDFZDDADKSX-UHFFFAOYSA-N -1 3 299.276 3.488 20 0 CGADHM [O-]c1cccc(F)c1-c1ccc(OC2CCOCC2)nc1 ZINC001245656047 803888614 /nfs/dbraw/zinc/88/86/14/803888614.db2.gz UOSBXEFTOGCRRJ-UHFFFAOYSA-N -1 3 289.306 3.151 20 0 CGADHM CCN(CC)C(=O)c1ccc(-c2c([O-])cccc2F)cn1 ZINC001245657075 803889758 /nfs/dbraw/zinc/88/97/58/803889758.db2.gz PXWBRSCBMOWDIB-UHFFFAOYSA-N -1 3 288.322 3.075 20 0 CGADHM Cc1cc(-c2c([O-])cccc2F)cc2c1NC(=O)CC2 ZINC001245657064 803890001 /nfs/dbraw/zinc/89/00/01/803890001.db2.gz PSQMMLFOKIOPTA-UHFFFAOYSA-N -1 3 271.291 3.391 20 0 CGADHM [O-]c1cccc(F)c1-c1cc(F)cc2nccnc21 ZINC001245656172 803891188 /nfs/dbraw/zinc/89/11/88/803891188.db2.gz IOKBQRRCVXXXJI-UHFFFAOYSA-N -1 3 258.227 3.281 20 0 CGADHM CN(C)C(=O)c1ccc(F)c(-c2c([O-])cccc2F)c1 ZINC001245658071 803891556 /nfs/dbraw/zinc/89/15/56/803891556.db2.gz ZHKPWBIHLBCIDW-UHFFFAOYSA-N -1 3 277.270 3.039 20 0 CGADHM O=S(=O)([N-][C@H](C1CCC1)C1CCCCC1)c1ccco1 ZINC001212288706 815002529 /nfs/dbraw/zinc/00/25/29/815002529.db2.gz GKOKUDGLJRNHGP-HNNXBMFYSA-N -1 3 297.420 3.307 20 0 CGADHM Nc1cc(Nc2cc([O-])c(F)cc2F)ccc1F ZINC001212339974 815008111 /nfs/dbraw/zinc/00/81/11/815008111.db2.gz VGBFHMPPEPWSKG-UHFFFAOYSA-N -1 3 254.211 3.135 20 0 CGADHM [O-]c1ccc(CN2CCc3ccccc3CC2)c(F)c1F ZINC001140893120 804542516 /nfs/dbraw/zinc/54/25/16/804542516.db2.gz FXRXNFCCEKDZKW-UHFFFAOYSA-N -1 3 289.325 3.271 20 0 CGADHM [O-]c1c(F)cc(CN2CCC3(CCC3)CC2)cc1F ZINC001140988065 804562349 /nfs/dbraw/zinc/56/23/49/804562349.db2.gz LVDRBNNIJDROEJ-UHFFFAOYSA-N -1 3 267.319 3.437 20 0 CGADHM CCCOC1CCN(Cc2cc(F)c([O-])c(F)c2)CC1 ZINC001140989923 804564437 /nfs/dbraw/zinc/56/44/37/804564437.db2.gz GYNKGUGWEWPUOQ-UHFFFAOYSA-N -1 3 285.334 3.061 20 0 CGADHM [O-]c1c(F)cc(CN2C[C@H]3[C@H](CCC3(F)F)C2)cc1F ZINC001140988697 804564764 /nfs/dbraw/zinc/56/47/64/804564764.db2.gz IRFYJBFWDGLWFL-ZJUUUORDSA-N -1 3 289.272 3.148 20 0 CGADHM Cc1cccc([O-])c1C(=O)Nc1cccc(-n2cccn2)c1 ZINC001141685060 804664424 /nfs/dbraw/zinc/66/44/24/804664424.db2.gz DFTPVNVPQQKYKP-UHFFFAOYSA-N -1 3 293.326 3.139 20 0 CGADHM O=C([O-])c1cc(Cl)ccc1CN1CCC[C@H](F)CC1 ZINC001142647148 804747526 /nfs/dbraw/zinc/74/75/26/804747526.db2.gz QCJJOMWMKHGXTP-LBPRGKRZSA-N -1 3 285.746 3.362 20 0 CGADHM CC(C)(C)Cc1cc([N-]C(=O)C(=O)c2ccccc2)on1 ZINC001142681856 804756690 /nfs/dbraw/zinc/75/66/90/804756690.db2.gz JNHQADINPHKENC-UHFFFAOYSA-N -1 3 286.331 3.085 20 0 CGADHM CC(C)(C)CNC(=S)Nc1ccc(Cl)cc1[O-] ZINC001247972985 804860648 /nfs/dbraw/zinc/86/06/48/804860648.db2.gz CGYIIGPGRHZKOS-UHFFFAOYSA-N -1 3 272.801 3.378 20 0 CGADHM CCc1ccc(C(=O)Nc2ccc(SC)nc2)c([O-])c1 ZINC001143587347 804871586 /nfs/dbraw/zinc/87/15/86/804871586.db2.gz QPVGQCCKSXAZAP-UHFFFAOYSA-N -1 3 288.372 3.324 20 0 CGADHM [O-]c1cc(F)c(CN2CC[C@H](c3cccnc3)C2)c(F)c1 ZINC001144554983 805004867 /nfs/dbraw/zinc/00/48/67/805004867.db2.gz POZKXUMKCBAPRA-LBPRGKRZSA-N -1 3 290.313 3.055 20 0 CGADHM [O-]c1cc(F)c(CN2CCC3(CCCOC3)CC2)c(F)c1 ZINC001144560801 805006020 /nfs/dbraw/zinc/00/60/20/805006020.db2.gz ABZRODOEBBMXOX-UHFFFAOYSA-N -1 3 297.345 3.063 20 0 CGADHM Cn1c(NC(=O)Cc2ccc([O-])c(F)c2)cc2ccccc21 ZINC001144624046 805012182 /nfs/dbraw/zinc/01/21/82/805012182.db2.gz XPXVNUWQVTUCCW-UHFFFAOYSA-N -1 3 298.317 3.204 20 0 CGADHM CN(Cc1sccc1C(=O)[O-])Cc1ccccc1 ZINC001144664590 805027248 /nfs/dbraw/zinc/02/72/48/805027248.db2.gz KMFFHEDBEDUQBT-UHFFFAOYSA-N -1 3 261.346 3.078 20 0 CGADHM O=C([O-])c1ccsc1CN1CCC[C@H]1c1cccnc1 ZINC001144664250 805028603 /nfs/dbraw/zinc/02/86/03/805028603.db2.gz BWQSQZHAEQQSPI-ZDUSSCGKSA-N -1 3 288.372 3.178 20 0 CGADHM O=C([O-])c1ccsc1CN1CCC[C@H](C(F)(F)F)C1 ZINC001144669955 805030203 /nfs/dbraw/zinc/03/02/03/805030203.db2.gz CPSHJMJVECITOD-QMMMGPOBSA-N -1 3 293.310 3.221 20 0 CGADHM CC(C)(C)CCCCCC(=O)NCc1ncccc1[O-] ZINC001144682424 805032588 /nfs/dbraw/zinc/03/25/88/805032588.db2.gz OHLAKZCUWZYTBQ-UHFFFAOYSA-N -1 3 278.396 3.400 20 0 CGADHM CC(C)CC[C@H](CO)NC(=O)c1ccc(C(C)C)cc1[O-] ZINC001147384769 805125140 /nfs/dbraw/zinc/12/51/40/805125140.db2.gz MLQZGUZVUPCPDD-CQSZACIVSA-N -1 3 293.407 3.043 20 0 CGADHM CCOc1cc([N-]c2nc(C)ns2)c(F)cc1F ZINC001212528689 815051200 /nfs/dbraw/zinc/05/12/00/815051200.db2.gz JBQYEYFJFBFGLR-UHFFFAOYSA-N -1 3 271.292 3.267 20 0 CGADHM COc1cccc(C(=O)Nc2cccc3oc(C)nc32)c1[O-] ZINC001148201713 805168143 /nfs/dbraw/zinc/16/81/43/805168143.db2.gz FLEMINFCYNFYCT-UHFFFAOYSA-N -1 3 298.298 3.103 20 0 CGADHM Cc1ccc(C(=O)NCc2cc3ccccc3n2C)c([O-])c1 ZINC001148506153 805190851 /nfs/dbraw/zinc/19/08/51/805190851.db2.gz UFVGKUSJZLLXCN-UHFFFAOYSA-N -1 3 294.354 3.122 20 0 CGADHM Cc1ccc(C(=O)NC2CC3(C2)CC(F)(F)C3)c([O-])c1 ZINC001148507506 805191019 /nfs/dbraw/zinc/19/10/19/805191019.db2.gz PMXMRBDYSIMGTQ-UHFFFAOYSA-N -1 3 281.302 3.008 20 0 CGADHM Cc1ccc(C(=O)N[C@@H](c2ncccc2C)C2CC2)c([O-])c1 ZINC001148505867 805191528 /nfs/dbraw/zinc/19/15/28/805191528.db2.gz JIYWBCYKGBKKEY-QGZVFWFLSA-N -1 3 296.370 3.285 20 0 CGADHM Cc1ccc(C(=O)N[C@H](c2ncccc2C)C2CC2)c([O-])c1 ZINC001148505865 805191933 /nfs/dbraw/zinc/19/19/33/805191933.db2.gz JIYWBCYKGBKKEY-KRWDZBQOSA-N -1 3 296.370 3.285 20 0 CGADHM Cc1nc2ccccc2c(C(=O)N(C)C2CC(C)C2)c1[O-] ZINC001149199820 805223812 /nfs/dbraw/zinc/22/38/12/805223812.db2.gz VDASTPOKVRCQFD-UHFFFAOYSA-N -1 3 284.359 3.119 20 0 CGADHM O=C(Nc1cc([O-])cc(Cl)c1)c1cnnc2ccccc21 ZINC001149474173 805233906 /nfs/dbraw/zinc/23/39/06/805233906.db2.gz AYBYWTQWRUKHNM-UHFFFAOYSA-N -1 3 299.717 3.241 20 0 CGADHM Cc1nc(Nc2c(F)cc(OC(C)C)cc2F)cc(=O)[n-]1 ZINC001249774049 805240057 /nfs/dbraw/zinc/24/00/57/805240057.db2.gz VMGBBSKYDXBGSC-UHFFFAOYSA-N -1 3 295.289 3.300 20 0 CGADHM O=C([N-]c1noc2nccnc12)c1cc2ccccc2s1 ZINC001149794738 805243722 /nfs/dbraw/zinc/24/37/22/805243722.db2.gz BUTPYGCHGOCABD-UHFFFAOYSA-N -1 3 296.311 3.085 20 0 CGADHM CN(C)c1cncc(Nc2cc(Cl)c([O-])cc2F)c1 ZINC001250020338 805372217 /nfs/dbraw/zinc/37/22/17/805372217.db2.gz QPLQXEPRWUYMMJ-UHFFFAOYSA-N -1 3 281.718 3.389 20 0 CGADHM Cc1ncc(Nc2ccc(Cl)c(F)c2F)c(=O)[n-]1 ZINC001250112827 805423833 /nfs/dbraw/zinc/42/38/33/805423833.db2.gz SOCWQEHXOOSBOR-UHFFFAOYSA-N -1 3 271.654 3.166 20 0 CGADHM C=Cc1ccc(NC(=O)c2ccc3[nH][n-]c(=O)c3c2)cc1 ZINC001154208159 805439762 /nfs/dbraw/zinc/43/97/62/805439762.db2.gz GTMBMJVOWGFZIQ-UHFFFAOYSA-N -1 3 279.299 3.164 20 0 CGADHM COc1c(Cl)ccc(Nc2ncc(F)cc2[O-])c1F ZINC001212583584 815077693 /nfs/dbraw/zinc/07/76/93/815077693.db2.gz UJYNCTWOJFBVDJ-UHFFFAOYSA-N -1 3 286.665 3.471 20 0 CGADHM Nc1cc(Cl)cnc1Nc1ccc(Cl)c([O-])c1 ZINC001212589667 815077925 /nfs/dbraw/zinc/07/79/25/815077925.db2.gz YHKGBPAZMICIEQ-UHFFFAOYSA-N -1 3 270.119 3.420 20 0 CGADHM [O-]c1cc(Nc2cnn(C3CCOCC3)c2)ccc1Cl ZINC001212589584 815078653 /nfs/dbraw/zinc/07/86/53/815078653.db2.gz SUWSRRLNVNWJAV-UHFFFAOYSA-N -1 3 293.754 3.337 20 0 CGADHM COc1ccc(Cl)cc1Nc1cc(=O)[n-]c(C2CC2)n1 ZINC001250201062 805485394 /nfs/dbraw/zinc/48/53/94/805485394.db2.gz HZAFJMPVUMKODS-UHFFFAOYSA-N -1 3 291.738 3.465 20 0 CGADHM [O-]c1cc(Nc2ccc(F)c(CO)c2)ccc1Cl ZINC001212592155 815080390 /nfs/dbraw/zinc/08/03/90/815080390.db2.gz ASLXCWWTUNDZHB-UHFFFAOYSA-N -1 3 267.687 3.421 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)c1ccc(F)cc1F ZINC001250247628 805518817 /nfs/dbraw/zinc/51/88/17/805518817.db2.gz KBRWOQLXGHPISP-UHFFFAOYSA-N -1 3 266.218 3.235 20 0 CGADHM O=C([N-]OCC1CCC1)C1(CCc2ccccc2)CC1 ZINC001167368960 807187582 /nfs/dbraw/zinc/18/75/82/807187582.db2.gz MCZIWGIAGVTVIA-UHFFFAOYSA-N -1 3 273.376 3.247 20 0 CGADHM CC(F)(F)c1ccc(Nc2cnc[n-]c2=O)cc1 ZINC001212675351 815100388 /nfs/dbraw/zinc/10/03/88/815100388.db2.gz SROZQBBPOFLIRR-UHFFFAOYSA-N -1 3 251.236 3.038 20 0 CGADHM [O-]c1cncc(-c2nnc(CCCc3ccccc3)o2)c1 ZINC001257792079 807221810 /nfs/dbraw/zinc/22/18/10/807221810.db2.gz OZPBWJKRRHNGGN-UHFFFAOYSA-N -1 3 281.315 3.013 20 0 CGADHM Cc1ncc(Nc2ccc(C(C)(F)F)cc2)c(=O)[n-]1 ZINC001212675161 815100759 /nfs/dbraw/zinc/10/07/59/815100759.db2.gz JDIUMLJSYAZIRM-UHFFFAOYSA-N -1 3 265.263 3.346 20 0 CGADHM O=S(=O)([N-]c1cc(F)cc(F)c1F)C1CCCCC1 ZINC001259814486 807689614 /nfs/dbraw/zinc/68/96/14/807689614.db2.gz BDVRERDDGCFYLX-UHFFFAOYSA-N -1 3 293.310 3.178 20 0 CGADHM Cc1ccc([N-]S(=O)(=O)CC(C)C)c(C(F)(F)F)c1 ZINC001259885571 807691729 /nfs/dbraw/zinc/69/17/29/807691729.db2.gz GIZFEMDNDODZGE-UHFFFAOYSA-N -1 3 295.326 3.412 20 0 CGADHM Cc1cc(C)c(Nc2ccc(C(N)=O)c([O-])c2)c(C)c1 ZINC001173844630 808707176 /nfs/dbraw/zinc/70/71/76/808707176.db2.gz IISXTTJDRDHGIY-UHFFFAOYSA-N -1 3 270.332 3.160 20 0 CGADHM CN(C)C(=O)c1ccc(Nc2cc(F)c([O-])c(F)c2)cc1 ZINC001174005819 808817259 /nfs/dbraw/zinc/81/72/59/808817259.db2.gz IMDAIGFORBRPBF-UHFFFAOYSA-N -1 3 292.285 3.116 20 0 CGADHM Cn1cnc2ccc(Nc3cc([O-])c(F)cc3F)cc21 ZINC001174347449 808969325 /nfs/dbraw/zinc/96/93/25/808969325.db2.gz OSYVHUQMGCSDGS-UHFFFAOYSA-N -1 3 275.258 3.301 20 0 CGADHM NC(=O)c1ccc(Nc2ccc(F)c(Cl)c2F)cc1[O-] ZINC001213207314 815254508 /nfs/dbraw/zinc/25/45/08/815254508.db2.gz CCQBVWMUGSJCJX-UHFFFAOYSA-N -1 3 298.676 3.166 20 0 CGADHM COc1ccc(F)c(F)c1Nc1ncc(Cl)cc1[O-] ZINC001174423473 809014493 /nfs/dbraw/zinc/01/44/93/809014493.db2.gz YQJHQAKLTMFEPI-UHFFFAOYSA-N -1 3 286.665 3.471 20 0 CGADHM [O-]c1cc(Nc2cnc(C3CC3)nc2)c(F)cc1F ZINC001174616072 809104511 /nfs/dbraw/zinc/10/45/11/809104511.db2.gz SOCNRBWKRMPDGO-UHFFFAOYSA-N -1 3 263.247 3.081 20 0 CGADHM CCc1c(C)cc(-n2[n-]c(=O)c3ccc(N)cc32)cc1C ZINC001174679080 809128161 /nfs/dbraw/zinc/12/81/61/809128161.db2.gz PGNVNJZNQCXBQE-UHFFFAOYSA-N -1 3 281.359 3.493 20 0 CGADHM O=c1cc(Nc2cccc(O)c2)[n-]n1-c1ccccc1 ZINC001174887887 809190697 /nfs/dbraw/zinc/19/06/97/809190697.db2.gz HTJDLQXFTOITRD-UHFFFAOYSA-N -1 3 267.288 3.027 20 0 CGADHM COc1c(C)cc(Nc2cc(=O)[n-]c(C3CC3)n2)cc1C ZINC001174996272 809232223 /nfs/dbraw/zinc/23/22/23/809232223.db2.gz HNKSPBXKTNVDAK-UHFFFAOYSA-N -1 3 285.347 3.429 20 0 CGADHM COC(=O)c1ccc(Nc2cc(F)c([O-])c(F)c2)cc1F ZINC001213381704 815273199 /nfs/dbraw/zinc/27/31/99/815273199.db2.gz AOQNWDMCBHNGNC-UHFFFAOYSA-N -1 3 297.232 3.340 20 0 CGADHM [O-]c1cccc2sc(Nc3ccc(O)cc3)nc21 ZINC001175038480 809248399 /nfs/dbraw/zinc/24/83/99/809248399.db2.gz HPXHKZCAUGMDFO-UHFFFAOYSA-N -1 3 258.302 3.451 20 0 CGADHM CCOc1cc(Nc2ncc(F)cc2[O-])ccc1F ZINC001175050293 809253637 /nfs/dbraw/zinc/25/36/37/809253637.db2.gz RLHDPMQCWIAIDZ-UHFFFAOYSA-N -1 3 266.247 3.208 20 0 CGADHM Cc1c(O)cccc1Nc1c(F)cc([O-])cc1F ZINC001175097076 809270116 /nfs/dbraw/zinc/27/01/16/809270116.db2.gz NXVSLHLSYBSWCW-UHFFFAOYSA-N -1 3 251.232 3.428 20 0 CGADHM Nc1cc(F)c(F)cc1Nc1c(F)cc([O-])cc1F ZINC001175099686 809270803 /nfs/dbraw/zinc/27/08/03/809270803.db2.gz DZAQRRJNETXWNN-UHFFFAOYSA-N -1 3 272.201 3.274 20 0 CGADHM COc1cc(Nc2cc(F)c([O-])c(F)c2)cc(OC)c1 ZINC001175112207 809276904 /nfs/dbraw/zinc/27/69/04/809276904.db2.gz ZSKUHKPDUXMJSC-UHFFFAOYSA-N -1 3 281.258 3.431 20 0 CGADHM CCOc1cccc(Nc2ncc(F)cc2[O-])c1F ZINC001175240871 809321456 /nfs/dbraw/zinc/32/14/56/809321456.db2.gz YSWIOSZHBBSNON-UHFFFAOYSA-N -1 3 266.247 3.208 20 0 CGADHM COc1ccccc1Nc1c(F)ccc([O-])c1F ZINC001175266364 809330810 /nfs/dbraw/zinc/33/08/10/809330810.db2.gz YHUROCLDHOJLQK-UHFFFAOYSA-N -1 3 251.232 3.423 20 0 CGADHM [O-]c1ccc(F)c(Nc2cccc3nsnc32)c1F ZINC001175266028 809331187 /nfs/dbraw/zinc/33/11/87/809331187.db2.gz STNMRPBNMOZHRU-UHFFFAOYSA-N -1 3 279.271 3.419 20 0 CGADHM CC(=O)c1cc(Nc2c(F)ccc([O-])c2F)ccc1O ZINC001175267855 809333395 /nfs/dbraw/zinc/33/33/95/809333395.db2.gz JIAYVSURWKALTL-UHFFFAOYSA-N -1 3 279.242 3.322 20 0 CGADHM COc1ncc(C)cc1Nc1cc([O-])c(F)cc1F ZINC001175337995 809364076 /nfs/dbraw/zinc/36/40/76/809364076.db2.gz WWXHMVJWHFDSFH-UHFFFAOYSA-N -1 3 266.247 3.126 20 0 CGADHM CC(C)c1cccnc1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175428446 809401856 /nfs/dbraw/zinc/40/18/56/809401856.db2.gz JQNPIIUHOJJRCE-UHFFFAOYSA-N -1 3 280.335 3.129 20 0 CGADHM CCOc1cccc(-c2noc(-c3cc(Cl)n[n-]3)n2)c1 ZINC001213500231 815290532 /nfs/dbraw/zinc/29/05/32/815290532.db2.gz CRDDCWKAOXMZHW-UHFFFAOYSA-N -1 3 290.710 3.179 20 0 CGADHM [O-]c1cc(F)cnc1Nc1cnn(C2CCCCC2)c1 ZINC001175879998 809563720 /nfs/dbraw/zinc/56/37/20/809563720.db2.gz YPOXEVOLEUZAHV-UHFFFAOYSA-N -1 3 276.315 3.372 20 0 CGADHM CCc1ccc(C(=O)NC[C@@H]2CCC[C@H]3C[C@H]32)c([O-])c1 ZINC001300909741 809575696 /nfs/dbraw/zinc/57/56/96/809575696.db2.gz SWSWZDQJIQPMCX-KCQAQPDRSA-N -1 3 273.376 3.121 20 0 CGADHM Cc1cc(F)ccc1[C@@H](C)NC(=O)c1ccc(O)cc1[O-] ZINC001303404840 809610041 /nfs/dbraw/zinc/61/00/41/809610041.db2.gz TYASLKAAHJSSOX-SNVBAGLBSA-N -1 3 289.306 3.036 20 0 CGADHM COc1ccc(Nc2nc3c(cccc3[O-])s2)cc1O ZINC001176253061 809654957 /nfs/dbraw/zinc/65/49/57/809654957.db2.gz AIOQZFBJMKIDLH-UHFFFAOYSA-N -1 3 288.328 3.460 20 0 CGADHM COc1ccc(Nc2cc([O-])c(F)cc2F)cc1O ZINC001176257938 809656984 /nfs/dbraw/zinc/65/69/84/809656984.db2.gz YWILWMRXCVJISP-UHFFFAOYSA-N -1 3 267.231 3.128 20 0 CGADHM Cc1cccc([O-])c1C(=O)NCC1(CC2CC2)CC1 ZINC001176276892 809659079 /nfs/dbraw/zinc/65/90/79/809659079.db2.gz PCAKGQAQBASTRS-UHFFFAOYSA-N -1 3 259.349 3.011 20 0 CGADHM CN(C)c1ncc(Nc2cc(Cl)c([O-])cc2Cl)cn1 ZINC001176331935 809671098 /nfs/dbraw/zinc/67/10/98/809671098.db2.gz HBTMOAAGXQBLAT-UHFFFAOYSA-N -1 3 299.161 3.299 20 0 CGADHM COc1ccc(O)cc1Nc1c(F)cc([O-])cc1F ZINC001176581463 809723052 /nfs/dbraw/zinc/72/30/52/809723052.db2.gz KPRKIWNPUGKYKP-UHFFFAOYSA-N -1 3 267.231 3.128 20 0 CGADHM CCc1ccc(C(=O)N2CC(F)(F)CC[C@@H]2C)c([O-])c1 ZINC001180693314 810018576 /nfs/dbraw/zinc/01/85/76/810018576.db2.gz PSRNXBVLYZLQFR-JTQLQIEISA-N -1 3 283.318 3.214 20 0 CGADHM CC(C)Cc1ccc(CC(=O)Nc2cncc([O-])c2)cc1 ZINC001181818648 810074188 /nfs/dbraw/zinc/07/41/88/810074188.db2.gz LFZBLFDDRPEMDZ-UHFFFAOYSA-N -1 3 284.359 3.167 20 0 CGADHM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1C(=O)Nc1cncc([O-])c1 ZINC001183913867 810168950 /nfs/dbraw/zinc/16/89/50/810168950.db2.gz UNIIFXZVUBSAEU-BYCMXARLSA-N -1 3 276.380 3.434 20 0 CGADHM Cc1ncc(Nc2c(Cl)ccc(F)c2F)c(=O)[n-]1 ZINC001213947142 815349323 /nfs/dbraw/zinc/34/93/23/815349323.db2.gz JJFFWNLWGZXGCC-UHFFFAOYSA-N -1 3 271.654 3.166 20 0 CGADHM CC(C)CC(=O)C(=O)Nc1cc2ccccc2cc1[O-] ZINC001184330262 810192903 /nfs/dbraw/zinc/19/29/03/810192903.db2.gz NADTZBGRIIYUOH-UHFFFAOYSA-N -1 3 271.316 3.099 20 0 CGADHM C[C@@H](NC(=O)Nc1cc(F)ccc1[O-])c1ccccc1 ZINC001185013838 810228959 /nfs/dbraw/zinc/22/89/59/810228959.db2.gz WZRHBNNXGCGAPH-SNVBAGLBSA-N -1 3 274.295 3.414 20 0 CGADHM Cc1cc(F)cc(-c2noc(-c3ccc(F)c(=O)[n-]3)n2)c1 ZINC001214085367 815366236 /nfs/dbraw/zinc/36/62/36/815366236.db2.gz LYMUFCFGYRKMNR-UHFFFAOYSA-N -1 3 289.241 3.091 20 0 CGADHM CCc1ccccc1NC(=O)Nc1nc(C)ccc1[O-] ZINC001187607204 810408154 /nfs/dbraw/zinc/40/81/54/810408154.db2.gz IBAPMWVIDCSSSJ-UHFFFAOYSA-N -1 3 271.320 3.302 20 0 CGADHM Cc1cccc([O-])c1C(=O)Nc1ccc(C(F)F)nc1 ZINC001188639410 810496970 /nfs/dbraw/zinc/49/69/70/810496970.db2.gz XOGSCAWRPSPQRC-UHFFFAOYSA-N -1 3 278.258 3.286 20 0 CGADHM Cc1cccc([O-])c1C(=O)Nc1cccc2c(=O)[nH]ccc12 ZINC001188648668 810498693 /nfs/dbraw/zinc/49/86/93/810498693.db2.gz KWHDWZIAVODEDJ-UHFFFAOYSA-N -1 3 294.310 3.207 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-]C2CC(C)(C)CC(C)(C)C2)o1 ZINC001188672651 810502369 /nfs/dbraw/zinc/50/23/69/810502369.db2.gz RNJUWWUIQITYCT-UHFFFAOYSA-N -1 3 299.436 3.471 20 0 CGADHM Cc1cc(C(=O)Nc2cc([O-])cc(Cl)c2)ccn1 ZINC001188789812 810514568 /nfs/dbraw/zinc/51/45/68/810514568.db2.gz MQWMUFUIHSBZDF-UHFFFAOYSA-N -1 3 262.696 3.001 20 0 CGADHM CCCCCc1ccc(C(=O)NCc2ncccc2[O-])cc1 ZINC001189204746 810548873 /nfs/dbraw/zinc/54/88/73/810548873.db2.gz KPABYIRSXWFJJB-UHFFFAOYSA-N -1 3 298.386 3.450 20 0 CGADHM CC/C=C/[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC001190339687 810621372 /nfs/dbraw/zinc/62/13/72/810621372.db2.gz CXVKJWXSKPSXAR-ZZXKWVIFSA-N -1 3 297.273 3.047 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])NC1CCCCCC1 ZINC001191268712 810695776 /nfs/dbraw/zinc/69/57/76/810695776.db2.gz PLHTVISCPPKTJY-UHFFFAOYSA-N -1 3 266.316 3.376 20 0 CGADHM Cc1ccc(Cl)c(NC(=O)Nc2cc(=O)[n-]c(C)n2)c1 ZINC001191673187 810729875 /nfs/dbraw/zinc/72/98/75/810729875.db2.gz RFYMIPPZUKQNKA-UHFFFAOYSA-N -1 3 292.726 3.096 20 0 CGADHM CC(C)Cc1ccc(C(=O)Nc2cncc([O-])c2)cc1 ZINC001192462988 810799966 /nfs/dbraw/zinc/79/99/66/810799966.db2.gz BBIMCVDWAHONAN-UHFFFAOYSA-N -1 3 270.332 3.238 20 0 CGADHM Cc1ccc(O)cc1Nc1c(F)cc([O-])cc1F ZINC001214352629 815400320 /nfs/dbraw/zinc/40/03/20/815400320.db2.gz PYHGRMBSHKFOQO-UHFFFAOYSA-N -1 3 251.232 3.428 20 0 CGADHM CC(C)OC(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC001193486973 810895797 /nfs/dbraw/zinc/89/57/97/810895797.db2.gz RGTGTPONCWPDHT-UHFFFAOYSA-N -1 3 263.215 3.368 20 0 CGADHM Cc1cc(F)ncc1C(=O)Nc1cc([O-])cc(Cl)c1 ZINC001193631253 810923337 /nfs/dbraw/zinc/92/33/37/810923337.db2.gz INCUQJDNBGVCQV-UHFFFAOYSA-N -1 3 280.686 3.140 20 0 CGADHM O=C(c1ccc([O-])cc1C(F)(F)F)N1CCC2(CCC2)C1 ZINC001193749776 810948043 /nfs/dbraw/zinc/94/80/43/810948043.db2.gz QCHUDIAGUKTDIY-UHFFFAOYSA-N -1 3 299.292 3.427 20 0 CGADHM Cc1ccc(Nc2c(F)cc([O-])cc2F)c(CO)c1 ZINC001214464816 815413809 /nfs/dbraw/zinc/41/38/09/815413809.db2.gz UKQGEJQAPYDODP-UHFFFAOYSA-N -1 3 265.259 3.215 20 0 CGADHM CCCCCCOC(=O)Nc1c([O-])cccc1C(=O)OC ZINC001194185596 811031269 /nfs/dbraw/zinc/03/12/69/811031269.db2.gz MUPBPTGWHIVNAZ-UHFFFAOYSA-N -1 3 295.335 3.308 20 0 CGADHM CC(=O)Nc1ccc(Nc2c(Cl)ccc([O-])c2F)cn1 ZINC001214553799 815422322 /nfs/dbraw/zinc/42/23/22/815422322.db2.gz AAVHVYIQLANHEV-UHFFFAOYSA-N -1 3 295.701 3.282 20 0 CGADHM COc1ncc(Nc2c(Cl)ccc([O-])c2F)cc1F ZINC001214556041 815423045 /nfs/dbraw/zinc/42/30/45/815423045.db2.gz HKVLLZIFCHGXQJ-UHFFFAOYSA-N -1 3 286.665 3.471 20 0 CGADHM CCn1cc(Nc2c(Cl)ccc([O-])c2F)cn1 ZINC001214554669 815423171 /nfs/dbraw/zinc/42/31/71/815423171.db2.gz YSCAWPGNCDFYMM-UHFFFAOYSA-N -1 3 255.680 3.145 20 0 CGADHM O=C(Nc1ccc2[nH]ccc2c1)c1cnc(C(F)(F)F)[n-]1 ZINC001194770701 811131078 /nfs/dbraw/zinc/13/10/78/811131078.db2.gz NLBMEIVTOGRMAX-UHFFFAOYSA-N -1 3 294.236 3.162 20 0 CGADHM Cc1c2ccc(N)cc2nn1-c1c(Cl)ccc([O-])c1F ZINC001214561637 815424632 /nfs/dbraw/zinc/42/46/32/815424632.db2.gz WAQGXTAXCIYHLL-UHFFFAOYSA-N -1 3 291.713 3.414 20 0 CGADHM COc1cc(CO)cc(Nc2c(Cl)ccc([O-])c2F)c1 ZINC001214564555 815425551 /nfs/dbraw/zinc/42/55/51/815425551.db2.gz GCRXODYGFQLGCW-UHFFFAOYSA-N -1 3 297.713 3.429 20 0 CGADHM CC(=O)c1cccc([O-])c1NC(=O)OCCC(C)C ZINC001194879881 811162167 /nfs/dbraw/zinc/16/21/67/811162167.db2.gz IEAUMMVTYBMWIR-UHFFFAOYSA-N -1 3 265.309 3.189 20 0 CGADHM O=C(NCCC1=CCCCC1)c1ccc(Cl)[n-]c1=O ZINC001195141069 811213050 /nfs/dbraw/zinc/21/30/50/811213050.db2.gz NSRQJRCWLJJYGK-UHFFFAOYSA-N -1 3 280.755 3.061 20 0 CGADHM COc1ccccc1OC(=O)Nc1ccc(F)c([O-])c1 ZINC001195264529 811234578 /nfs/dbraw/zinc/23/45/78/811234578.db2.gz DDBPWIMPWBRGRU-UHFFFAOYSA-N -1 3 277.251 3.151 20 0 CGADHM CCCc1ccccc1NC(=S)[N-]C(=O)OCC ZINC001195491420 811261836 /nfs/dbraw/zinc/26/18/36/811261836.db2.gz WMFVSJPLRDSGAK-UHFFFAOYSA-N -1 3 266.366 3.082 20 0 CGADHM CCOc1ccc(C)c(C(=O)Nc2ccc(F)c([O-])c2)c1 ZINC001197140898 811401255 /nfs/dbraw/zinc/40/12/55/811401255.db2.gz DDOWEWWCBVWAGD-UHFFFAOYSA-N -1 3 289.306 3.491 20 0 CGADHM Cc1cc([N-]c2nnc(C(C)C)o2)cnc1OC(C)C ZINC001214937253 815464553 /nfs/dbraw/zinc/46/45/53/815464553.db2.gz ONELHZGMPBWRFD-UHFFFAOYSA-N -1 3 276.340 3.427 20 0 CGADHM Cc1ccc([O-])c(NC(=O)Nc2ccc(F)cc2F)n1 ZINC001202012060 811996565 /nfs/dbraw/zinc/99/65/65/811996565.db2.gz KNNDHQYPHMCVEA-UHFFFAOYSA-N -1 3 279.246 3.018 20 0 CGADHM CC(=O)c1ccc(F)c(-c2noc(-c3ccc([O-])cc3)n2)c1 ZINC001215203963 815494991 /nfs/dbraw/zinc/49/49/91/815494991.db2.gz IDSDJNJHAWMSND-UHFFFAOYSA-N -1 3 298.273 3.451 20 0 CGADHM Cc1cccc(C)c1NC(=O)Nc1cncc([O-])c1 ZINC001202196144 812036781 /nfs/dbraw/zinc/03/67/81/812036781.db2.gz HOODPAQXRPTWPY-UHFFFAOYSA-N -1 3 257.293 3.048 20 0 CGADHM O=C(Nc1ccc(Cl)c(Cl)c1)Nc1cnc[n-]c1=O ZINC001202256398 812052658 /nfs/dbraw/zinc/05/26/58/812052658.db2.gz OYWVLPWWOQXFEG-UHFFFAOYSA-N -1 3 299.117 3.133 20 0 CGADHM O=C(Nc1ccc(C(F)(F)F)cc1)Nc1cncc([O-])c1 ZINC001202404345 812086282 /nfs/dbraw/zinc/08/62/82/812086282.db2.gz ZTHNBXKNLRLIBH-UHFFFAOYSA-N -1 3 297.236 3.450 20 0 CGADHM Cc1ccc(NC(=O)Nc2cncc([O-])c2)cc1Cl ZINC001202801149 812177810 /nfs/dbraw/zinc/17/78/10/812177810.db2.gz WCMUKYIBIKKJMY-UHFFFAOYSA-N -1 3 277.711 3.393 20 0 CGADHM O=c1cc(Nc2cccnc2-c2ccccc2)[nH]c(=S)[n-]1 ZINC001203647577 812416256 /nfs/dbraw/zinc/41/62/56/812416256.db2.gz QEOAMAYFHRCKLP-UHFFFAOYSA-N -1 3 296.355 3.277 20 0 CGADHM Cc1cnc(C)c(Nc2cc([O-])c(F)cc2F)c1 ZINC001203663001 812421219 /nfs/dbraw/zinc/42/12/19/812421219.db2.gz CPWQNNQWIDCZKT-UHFFFAOYSA-N -1 3 250.248 3.426 20 0 CGADHM [O-]c1cc(Nc2ccc3cncnc3c2)c(F)cc1F ZINC001203707240 812434388 /nfs/dbraw/zinc/43/43/88/812434388.db2.gz GQJQOXXUDALTNQ-UHFFFAOYSA-N -1 3 273.242 3.357 20 0 CGADHM Nc1ccc2nn(-c3cc(F)c([O-])cc3F)cc2c1Cl ZINC001215574498 815538879 /nfs/dbraw/zinc/53/88/79/815538879.db2.gz VYCUJOBMHLVVJQ-UHFFFAOYSA-N -1 3 295.676 3.245 20 0 CGADHM COc1ccc(Nc2cc([O-])c(F)cc2F)c2c[nH]nc21 ZINC001215751071 815574590 /nfs/dbraw/zinc/57/45/90/815574590.db2.gz WLDLAYGTXNTKGK-UHFFFAOYSA-N -1 3 291.257 3.299 20 0 CGADHM Cc1ccc(Nc2cnn3cccnc23)c(Cl)c1[O-] ZINC001205986941 813152934 /nfs/dbraw/zinc/15/29/34/813152934.db2.gz ICIQTIOYRSRMEU-UHFFFAOYSA-N -1 3 274.711 3.140 20 0 CGADHM [O-]c1ccc(-c2ncccc2OC(F)F)c(F)c1 ZINC001206030266 813172859 /nfs/dbraw/zinc/17/28/59/813172859.db2.gz SLEBYLNPCACXBF-UHFFFAOYSA-N -1 3 255.195 3.195 20 0 CGADHM COc1ncc2cc[nH]c2c1-c1ccc([O-])cc1F ZINC001206064892 813187940 /nfs/dbraw/zinc/18/79/40/813187940.db2.gz SKLRSBJGYPIMAM-UHFFFAOYSA-N -1 3 258.252 3.083 20 0 CGADHM CCOC(=O)c1cc(C)c(-c2ccc([O-])cc2F)cn1 ZINC001206088018 813196230 /nfs/dbraw/zinc/19/62/30/813196230.db2.gz HDWZGDMMWWAMRB-UHFFFAOYSA-N -1 3 275.279 3.078 20 0 CGADHM O=C1Cc2cc(-c3ccc4c(c3)[N-]C(=S)C4)ccc2N1 ZINC001206237247 813251748 /nfs/dbraw/zinc/25/17/48/813251748.db2.gz YEPRJSOZZJFRJR-UHFFFAOYSA-N -1 3 280.352 3.144 20 0 CGADHM [O-]c1ccc(CN2Cc3cc(F)c(F)cc3C2)cc1F ZINC001206457610 813325629 /nfs/dbraw/zinc/32/56/29/813325629.db2.gz WKOJZMQOFGZMQL-UHFFFAOYSA-N -1 3 279.261 3.325 20 0 CGADHM [O-]c1ccc(F)c(CNc2cccc3c2OCC3)c1F ZINC001206680821 813398801 /nfs/dbraw/zinc/39/88/01/813398801.db2.gz USDWCYXWNFAHJW-UHFFFAOYSA-N -1 3 277.270 3.217 20 0 CGADHM Cc1ccc(CNCc2ccc([O-])c(F)c2F)cc1F ZINC001207645274 813627227 /nfs/dbraw/zinc/62/72/27/813627227.db2.gz LDRYIRIONGCVPL-UHFFFAOYSA-N -1 3 281.277 3.408 20 0 CGADHM [O-]c1cc(F)cnc1Nc1ccc(O)c(C(F)(F)F)c1 ZINC001209984489 814230447 /nfs/dbraw/zinc/23/04/47/814230447.db2.gz MMOWWAKHTQDNLK-UHFFFAOYSA-N -1 3 288.200 3.394 20 0 CGADHM CC(=O)c1cccc(Nc2ccc(F)cc2[O-])c1O ZINC001210017493 814246503 /nfs/dbraw/zinc/24/65/03/814246503.db2.gz XVSKGVBWWUCQCV-UHFFFAOYSA-N -1 3 261.252 3.183 20 0 CGADHM CC(C)Oc1ccccc1Nc1ncc(F)cc1[O-] ZINC001210022646 814249086 /nfs/dbraw/zinc/24/90/86/814249086.db2.gz OBWFIZUPZDFQRV-UHFFFAOYSA-N -1 3 262.284 3.457 20 0 CGADHM COc1ccc(C(C)=O)cc1[N-]c1noc(C(C)(C)C)n1 ZINC001210076350 814276410 /nfs/dbraw/zinc/27/64/10/814276410.db2.gz KOZSMHNMXDXMSC-UHFFFAOYSA-N -1 3 289.335 3.322 20 0 CGADHM [O-]c1ccc(Nc2cc(F)ccc2CO)cc1Cl ZINC001210184925 814325179 /nfs/dbraw/zinc/32/51/79/814325179.db2.gz GZBNSMFTXDQIDX-UHFFFAOYSA-N -1 3 267.687 3.421 20 0 CGADHM Nc1cc2c(cnn2-c2cccc(F)c2[O-])c(Cl)c1 ZINC001210199704 814335955 /nfs/dbraw/zinc/33/59/55/814335955.db2.gz MWXQOXUVXGVPES-UHFFFAOYSA-N -1 3 277.686 3.106 20 0 CGADHM O=C1NCc2cc(Nc3cccc(Cl)c3[O-])ccc21 ZINC001210221945 814349257 /nfs/dbraw/zinc/34/92/57/814349257.db2.gz FLBZASFGVVXSJW-UHFFFAOYSA-N -1 3 274.707 3.033 20 0 CGADHM CC(=O)Nc1ccc(O)c(Nc2cccc(Cl)c2[O-])c1 ZINC001210222733 814351180 /nfs/dbraw/zinc/35/11/80/814351180.db2.gz VVSIAGOJCJTLLO-UHFFFAOYSA-N -1 3 292.722 3.453 20 0 CGADHM Cn1ccc([N-]c2cc(-c3ccccc3Cl)no2)n1 ZINC001210349179 814416201 /nfs/dbraw/zinc/41/62/01/814416201.db2.gz ZBVUULJWDPQSLZ-UHFFFAOYSA-N -1 3 274.711 3.472 20 0 CGADHM O=c1cc(Nc2cccc(F)c2Cl)[nH]c(=S)[n-]1 ZINC001210540368 814515810 /nfs/dbraw/zinc/51/58/10/814515810.db2.gz BWMSPQPBIAVDKP-UHFFFAOYSA-N -1 3 271.704 3.007 20 0 CGADHM C[C@H](O)c1ccc(Nc2ncc(Cl)cc2[O-])cc1 ZINC001210639871 814566161 /nfs/dbraw/zinc/56/61/61/814566161.db2.gz AXMLCJNOIZSECV-QMMMGPOBSA-N -1 3 264.712 3.238 20 0 CGADHM COC(=O)c1cc(C)cnc1Nc1cccc([O-])c1Cl ZINC001210852050 814650795 /nfs/dbraw/zinc/65/07/95/814650795.db2.gz STHFVKBCPMUGOS-UHFFFAOYSA-N -1 3 292.722 3.279 20 0 CGADHM [O-]c1cccc(Nc2cnn3ccc(Cl)nc23)c1Cl ZINC001210851555 814650951 /nfs/dbraw/zinc/65/09/51/814650951.db2.gz BYWKAEVFPGQMHO-UHFFFAOYSA-N -1 3 295.129 3.485 20 0 CGADHM c1ccc(-c2ccccc2-c2nnn[n-]2)c(OC2CC2)c1 ZINC001242793554 823133686 /nfs/dbraw/zinc/13/36/86/823133686.db2.gz SDRFCIKAIISNNR-UHFFFAOYSA-N -1 3 278.315 3.075 20 0 CGADHM c1ccc(-c2ccccc2-c2nn[n-]n2)c(OC2CC2)c1 ZINC001242793554 823133688 /nfs/dbraw/zinc/13/36/88/823133688.db2.gz SDRFCIKAIISNNR-UHFFFAOYSA-N -1 3 278.315 3.075 20 0 CGADHM Nc1c(F)c(F)c(F)cc1Nc1ncc(Cl)cc1[O-] ZINC001216007405 815658494 /nfs/dbraw/zinc/65/84/94/815658494.db2.gz RLFHJZRAWLHSSR-UHFFFAOYSA-N -1 3 289.644 3.184 20 0 CGADHM CCc1nnc([N-]c2ccc(Cl)c3c[nH]nc32)s1 ZINC001216054899 815675236 /nfs/dbraw/zinc/67/52/36/815675236.db2.gz YABCPCSUGRXKFS-UHFFFAOYSA-N -1 3 279.756 3.374 20 0 CGADHM CCc1cc(Nc2ncc(Cl)cc2[O-])ccc1CO ZINC001216104061 815696740 /nfs/dbraw/zinc/69/67/40/815696740.db2.gz PMHPTXYSNFJYOJ-UHFFFAOYSA-N -1 3 278.739 3.239 20 0 CGADHM CCN(CC)c1cc(F)cc(Nc2cc(=O)[n-]c(C)n2)c1 ZINC001216183679 815724833 /nfs/dbraw/zinc/72/48/33/815724833.db2.gz YCRNXOOZOBTPMW-UHFFFAOYSA-N -1 3 290.342 3.220 20 0 CGADHM Cc1c(F)cncc1Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001216191559 815729710 /nfs/dbraw/zinc/72/97/10/815729710.db2.gz AFZPZKLVAIIQLV-UHFFFAOYSA-N -1 3 284.294 3.164 20 0 CGADHM COc1cc(Nc2cc(=O)[n-]c(=S)[nH]2)ccc1C1CC1 ZINC001216251038 815754968 /nfs/dbraw/zinc/75/49/68/815754968.db2.gz ZWWOFEAMTTUYPX-UHFFFAOYSA-N -1 3 289.360 3.101 20 0 CGADHM COc1ccc(Nc2cc([O-])c(F)cc2F)cc1N ZINC001216258000 815758985 /nfs/dbraw/zinc/75/89/85/815758985.db2.gz GICDUABCXQGNHY-UHFFFAOYSA-N -1 3 266.247 3.005 20 0 CGADHM Cc1cc([O-])c(-c2nc(-c3ccccc3F)no2)c(O)c1 ZINC001216267901 815761485 /nfs/dbraw/zinc/76/14/85/815761485.db2.gz WKPQDKIQAKFLFM-UHFFFAOYSA-N -1 3 286.262 3.262 20 0 CGADHM Cc1cc(F)cc(Cl)c1Nc1cnc[n-]c1=O ZINC001216402332 815814167 /nfs/dbraw/zinc/81/41/67/815814167.db2.gz DVQDQXNXXKLAGF-UHFFFAOYSA-N -1 3 253.664 3.027 20 0 CGADHM O=C1CCCc2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc21 ZINC001242856978 823154381 /nfs/dbraw/zinc/15/43/81/823154381.db2.gz BQYZJCXCQUDLBT-UHFFFAOYSA-N -1 3 290.326 3.053 20 0 CGADHM O=C1CCCc2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc21 ZINC001242856978 823154382 /nfs/dbraw/zinc/15/43/82/823154382.db2.gz BQYZJCXCQUDLBT-UHFFFAOYSA-N -1 3 290.326 3.053 20 0 CGADHM CCn1ncc2cc(Nc3ncc(F)cc3[O-])ccc21 ZINC001216590193 815867825 /nfs/dbraw/zinc/86/78/25/815867825.db2.gz XZTJFKRGNRVWMG-UHFFFAOYSA-N -1 3 272.283 3.040 20 0 CGADHM COc1ccc(-c2ccc3c(c2)[N-]C(=S)C3)c(C)n1 ZINC001242929721 823176432 /nfs/dbraw/zinc/17/64/32/823176432.db2.gz KWFWHPJTGSHOIB-UHFFFAOYSA-N -1 3 270.357 3.361 20 0 CGADHM Cc1cc(-c2ccc(F)c([O-])c2)nc(C(F)(F)F)n1 ZINC001243046989 823223608 /nfs/dbraw/zinc/22/36/08/823223608.db2.gz APIQKOKBESJXDK-UHFFFAOYSA-N -1 3 272.201 3.316 20 0 CGADHM CSc1nc2[nH]ccc2c(-c2ccc(F)c([O-])c2)n1 ZINC001243047151 823224627 /nfs/dbraw/zinc/22/46/27/823224627.db2.gz CAKUYGUBKCMLBH-UHFFFAOYSA-N -1 3 275.308 3.143 20 0 CGADHM COC(=O)c1ccc(C)c(-c2ccc(F)c([O-])c2)c1 ZINC001243048144 823224968 /nfs/dbraw/zinc/22/49/68/823224968.db2.gz IJWOIGZTKFZFSM-UHFFFAOYSA-N -1 3 260.264 3.293 20 0 CGADHM O=C1CCc2cc(-c3ccc(F)c([O-])c3)ccc2O1 ZINC001243047573 823225054 /nfs/dbraw/zinc/22/50/54/823225054.db2.gz FCJMGNMKKPKFDT-UHFFFAOYSA-N -1 3 258.248 3.050 20 0 CGADHM CCn1nnc2c1ccc(-c1ccc(F)c([O-])c1)c2C ZINC001243049932 823226976 /nfs/dbraw/zinc/22/69/76/823226976.db2.gz IWORHDZMEGTUAG-UHFFFAOYSA-N -1 3 271.295 3.271 20 0 CGADHM CC(=O)Nc1ccc(-c2ccc(F)c([O-])c2)c(F)c1 ZINC001243049889 823226984 /nfs/dbraw/zinc/22/69/84/823226984.db2.gz BOAKNIQCPLTYCZ-UHFFFAOYSA-N -1 3 263.243 3.296 20 0 CGADHM [O-]c1cc(-c2ccc3c(c2)[C@H](O)CCO3)ccc1F ZINC001243051052 823227734 /nfs/dbraw/zinc/22/77/34/823227734.db2.gz KVARFENMMKZVQE-CYBMUJFWSA-N -1 3 260.264 3.014 20 0 CGADHM Cc1ccc(OC[C@H](C)Oc2[n-]c(=S)ncc2C)cc1 ZINC001225741212 817163216 /nfs/dbraw/zinc/16/32/16/817163216.db2.gz SFTBBCGZENVDHY-LBPRGKRZSA-N -1 3 290.388 3.228 20 0 CGADHM COCc1cc(O[C@H](C)c2ccccc2F)[n-]c(=S)n1 ZINC001225935525 817222997 /nfs/dbraw/zinc/22/29/97/817222997.db2.gz VAWIDXHLCUJMKF-SECBINFHSA-N -1 3 294.351 3.191 20 0 CGADHM COC1=CC[C@@H](Oc2cc(C(C)=O)ccc2[O-])CC1 ZINC001225993309 817241962 /nfs/dbraw/zinc/24/19/62/817241962.db2.gz GRSWHCGDQZUURF-CYBMUJFWSA-N -1 3 262.305 3.056 20 0 CGADHM CC(=O)c1ccc([O-])c(O[C@H]2COCc3ccccc32)c1 ZINC001225994195 817242045 /nfs/dbraw/zinc/24/20/45/817242045.db2.gz LTMIMLNKBRKZLY-KRWDZBQOSA-N -1 3 284.311 3.245 20 0 CGADHM Cc1ccc(OC(C)C)c(COc2nc[n-]c(=O)c2C)c1 ZINC001226075050 817266623 /nfs/dbraw/zinc/26/66/23/817266623.db2.gz FBGKQIFKKUTRTB-UHFFFAOYSA-N -1 3 288.347 3.165 20 0 CGADHM S=c1ncc(C2CC2)c(O[C@H]2CCc3cccnc32)[n-]1 ZINC001226118175 817277949 /nfs/dbraw/zinc/27/79/49/817277949.db2.gz BZAAMOPDNHXWEX-LBPRGKRZSA-N -1 3 285.372 3.104 20 0 CGADHM CC[C@H](Oc1cc(=O)[n-]c(C)n1)c1cccc(F)c1C ZINC001226510744 817381095 /nfs/dbraw/zinc/38/10/95/817381095.db2.gz PCANEHDDQVZRGL-ZDUSSCGKSA-N -1 3 276.311 3.468 20 0 CGADHM CCOc1ccc([C@H](C)Oc2cc(=O)[n-]c(C)n2)cc1 ZINC001226511369 817381333 /nfs/dbraw/zinc/38/13/33/817381333.db2.gz XXCLALVEUZPQAG-JTQLQIEISA-N -1 3 274.320 3.029 20 0 CGADHM O=c1ccc2ccc([O-])c(OC(C3CC3)C3CC3)c2o1 ZINC001226596619 817409984 /nfs/dbraw/zinc/40/99/84/817409984.db2.gz NDIWSOMZCGIFEP-UHFFFAOYSA-N -1 3 272.300 3.066 20 0 CGADHM O=c1ccc2ccc([O-])c(OC3CCC(F)(F)CC3)c2o1 ZINC001226596188 817410203 /nfs/dbraw/zinc/41/02/03/817410203.db2.gz KBISDYIXNRAKFM-UHFFFAOYSA-N -1 3 296.269 3.455 20 0 CGADHM Cc1c([C@@H](C)Oc2cccc([O-])c2Cl)cnn1C ZINC001226713059 817443083 /nfs/dbraw/zinc/44/30/83/817443083.db2.gz YEZHSUQKXVDEID-SECBINFHSA-N -1 3 266.728 3.228 20 0 CGADHM Cc1cc(O[C@H]2CCc3c2cc(F)cc3F)[n-]c(=S)n1 ZINC001226798540 817468016 /nfs/dbraw/zinc/46/80/16/817468016.db2.gz JIOBBNKFZZPQMK-LBPRGKRZSA-N -1 3 294.326 3.418 20 0 CGADHM Cc1cc(O[C@H](C)COc2ccccc2C)[n-]c(=S)n1 ZINC001226798508 817468232 /nfs/dbraw/zinc/46/82/32/817468232.db2.gz IRQUFULFNOIBLC-GFCCVEGCSA-N -1 3 290.388 3.228 20 0 CGADHM Cc1cc(O[C@@H](C)c2ccccc2F)[n-]c(=S)n1 ZINC001226800642 817470005 /nfs/dbraw/zinc/47/00/05/817470005.db2.gz IKGIVTNHTIIEKL-VIFPVBQESA-N -1 3 264.325 3.353 20 0 CGADHM CCC[C@H](Oc1[n-]c(=O)ncc1OC)c1ccccc1 ZINC001226827883 817476594 /nfs/dbraw/zinc/47/65/94/817476594.db2.gz KKNVGGVQHNWJDK-LBPRGKRZSA-N -1 3 274.320 3.111 20 0 CGADHM C[C@@H](Oc1ccnc(=S)[n-]1)c1ccc(F)cc1 ZINC001226936899 817510121 /nfs/dbraw/zinc/51/01/21/817510121.db2.gz MTQJNYKKVUMOJL-MRVPVSSYSA-N -1 3 250.298 3.044 20 0 CGADHM S=c1nccc(O[C@H]2CCCc3ccccc32)[n-]1 ZINC001226940714 817511322 /nfs/dbraw/zinc/51/13/22/817511322.db2.gz UKCVIEVALLVMJZ-LBPRGKRZSA-N -1 3 258.346 3.222 20 0 CGADHM S=c1nccc(O[C@@H]2CCc3ccc(Cl)cc32)[n-]1 ZINC001226944202 817513108 /nfs/dbraw/zinc/51/31/08/817513108.db2.gz XOODIWSSZOCAGX-LLVKDONJSA-N -1 3 278.764 3.485 20 0 CGADHM CCc1cnc(=S)[n-]c1O[C@@H](C)COc1ccccc1 ZINC001227062336 817548431 /nfs/dbraw/zinc/54/84/31/817548431.db2.gz UBPGQEBUZOQGJR-NSHDSACASA-N -1 3 290.388 3.174 20 0 CGADHM [O-]c1cc(Br)cc(F)c1OC1CC(F)(F)C1 ZINC001227586579 817676547 /nfs/dbraw/zinc/67/65/47/817676547.db2.gz BCGUPHSFGBKNPW-UHFFFAOYSA-N -1 3 297.070 3.470 20 0 CGADHM CCN1CC[C@@H](Oc2cc(Cl)c([O-])cc2Cl)C1 ZINC001227642113 817687421 /nfs/dbraw/zinc/68/74/21/817687421.db2.gz VOYLKQQLBQLXMR-MRVPVSSYSA-N -1 3 276.163 3.172 20 0 CGADHM O=c1nc2cccnc2c(O[C@H](c2ccccc2)C2CC2)[n-]1 ZINC001228000735 817779235 /nfs/dbraw/zinc/77/92/35/817779235.db2.gz NOAKFCHPTNTUDT-OAHLLOKOSA-N -1 3 293.326 3.261 20 0 CGADHM Cc1cccc2c1[C@H](Oc1[n-]c(=O)nc3cccnc31)CC2 ZINC001228001402 817779707 /nfs/dbraw/zinc/77/97/07/817779707.db2.gz XPVUIIRVBPNDSG-CYBMUJFWSA-N -1 3 293.326 3.105 20 0 CGADHM CC[C@@H](Oc1[n-]c(=O)nc2cccnc21)c1ccccc1F ZINC001228003614 817780910 /nfs/dbraw/zinc/78/09/10/817780910.db2.gz BNGZGNKVSYPXBU-CYBMUJFWSA-N -1 3 299.305 3.400 20 0 CGADHM CCCc1c([O-])ccc(C(C)=O)c1OCCOC(C)C ZINC001228135157 817819745 /nfs/dbraw/zinc/81/97/45/817819745.db2.gz WWATZNBYIKLCDC-UHFFFAOYSA-N -1 3 280.364 3.351 20 0 CGADHM CCCc1c([O-])ccc(C(C)=O)c1OC[C@@H]1CCCCO1 ZINC001228134400 817820168 /nfs/dbraw/zinc/82/01/68/817820168.db2.gz PMPONRIUCWXDGW-ZDUSSCGKSA-N -1 3 292.375 3.495 20 0 CGADHM CCOC[C@@H](C)Oc1cc(-c2ccccc2)nc(=S)[n-]1 ZINC001228347385 817883965 /nfs/dbraw/zinc/88/39/65/817883965.db2.gz REVUDYUJDCXDQU-LLVKDONJSA-N -1 3 290.388 3.236 20 0 CGADHM COc1ccccc1[C@H](C)Oc1nnc(-c2cccnc2)[n-]1 ZINC001228694973 817975145 /nfs/dbraw/zinc/97/51/45/817975145.db2.gz HRUPCLIQUXZILI-NSHDSACASA-N -1 3 296.330 3.015 20 0 CGADHM COc1ccccc1[C@H](C)Oc1nc(-c2cccnc2)n[n-]1 ZINC001228694973 817975154 /nfs/dbraw/zinc/97/51/54/817975154.db2.gz HRUPCLIQUXZILI-NSHDSACASA-N -1 3 296.330 3.015 20 0 CGADHM COc1ccccc1[C@H](C)Oc1n[n-]c(-c2cccnc2)n1 ZINC001228694973 817975159 /nfs/dbraw/zinc/97/51/59/817975159.db2.gz HRUPCLIQUXZILI-NSHDSACASA-N -1 3 296.330 3.015 20 0 CGADHM c1cncc(-c2nnc(O[C@@H]3CCC=CCCC3)[n-]2)c1 ZINC001228697726 817976661 /nfs/dbraw/zinc/97/66/61/817976661.db2.gz LDAMIPLEJKISQD-CYBMUJFWSA-N -1 3 270.336 3.134 20 0 CGADHM c1cncc(-c2n[n-]c(O[C@@H]3CCC=CCCC3)n2)c1 ZINC001228697726 817976668 /nfs/dbraw/zinc/97/66/68/817976668.db2.gz LDAMIPLEJKISQD-CYBMUJFWSA-N -1 3 270.336 3.134 20 0 CGADHM c1cncc(-c2nc(O[C@@H]3CCC=CCCC3)n[n-]2)c1 ZINC001228697726 817976671 /nfs/dbraw/zinc/97/66/71/817976671.db2.gz LDAMIPLEJKISQD-CYBMUJFWSA-N -1 3 270.336 3.134 20 0 CGADHM Cc1cccc([C@H](C)Oc2nnc(-c3cccnc3)[n-]2)c1 ZINC001228698115 817977198 /nfs/dbraw/zinc/97/71/98/817977198.db2.gz MSXJVTGIIVRSAM-LBPRGKRZSA-N -1 3 280.331 3.315 20 0 CGADHM Cc1cccc([C@H](C)Oc2nc(-c3cccnc3)n[n-]2)c1 ZINC001228698115 817977202 /nfs/dbraw/zinc/97/72/02/817977202.db2.gz MSXJVTGIIVRSAM-LBPRGKRZSA-N -1 3 280.331 3.315 20 0 CGADHM Cc1cccc([C@H](C)Oc2n[n-]c(-c3cccnc3)n2)c1 ZINC001228698115 817977206 /nfs/dbraw/zinc/97/72/06/817977206.db2.gz MSXJVTGIIVRSAM-LBPRGKRZSA-N -1 3 280.331 3.315 20 0 CGADHM C[C@@H]1CC[C@@H](C)[C@H](Oc2n[n-]c(-c3ccncc3)n2)C1 ZINC001228697130 817978150 /nfs/dbraw/zinc/97/81/50/817978150.db2.gz IEACPIWCZIDQSI-NQBHXWOUSA-N -1 3 272.352 3.070 20 0 CGADHM CCCCOC[C@H](C)Oc1cc2c(cc1[O-])CCC2=O ZINC001228854354 818023303 /nfs/dbraw/zinc/02/33/03/818023303.db2.gz RNPSWEAKSJUDFL-NSHDSACASA-N -1 3 278.348 3.105 20 0 CGADHM C[C@@H](Oc1cc2c(cc1[O-])CCC2=O)c1ncccc1F ZINC001228853688 818023745 /nfs/dbraw/zinc/02/37/45/818023745.db2.gz JSPORJFDXCAQEV-SECBINFHSA-N -1 3 287.290 3.195 20 0 CGADHM C[C@@H](COC(C)(C)C)Oc1cc2c(cc1[O-])CCC2=O ZINC001228857804 818024458 /nfs/dbraw/zinc/02/44/58/818024458.db2.gz OREJOBVZUUWLJC-JTQLQIEISA-N -1 3 278.348 3.104 20 0 CGADHM [O-]c1cc(CN2CC[C@H]3CCCO[C@H]3C2)ccc1Cl ZINC001231730743 818160900 /nfs/dbraw/zinc/16/09/00/818160900.db2.gz FRSFCRHDZPWDJJ-DOMZBBRYSA-N -1 3 281.783 3.047 20 0 CGADHM [O-]c1cc(CN2CC[C@H]3CCCO[C@@H]3C2)ccc1Cl ZINC001231730745 818161712 /nfs/dbraw/zinc/16/17/12/818161712.db2.gz FRSFCRHDZPWDJJ-IUODEOHRSA-N -1 3 281.783 3.047 20 0 CGADHM [O-]c1cccc(CN2C[C@H]3[C@H](CC3(F)F)C2)c1Cl ZINC001232785439 818439019 /nfs/dbraw/zinc/43/90/19/818439019.db2.gz BGQYRLQOMAYWNE-ZJUUUORDSA-N -1 3 273.710 3.133 20 0 CGADHM CCCOC1CCN(Cc2cccc([O-])c2Cl)CC1 ZINC001232787547 818441035 /nfs/dbraw/zinc/44/10/35/818441035.db2.gz OOZSRKWJLSGPSP-UHFFFAOYSA-N -1 3 283.799 3.437 20 0 CGADHM CN(Cc1ccc(F)c([O-])c1F)CC1CCCC1 ZINC001232936765 818477438 /nfs/dbraw/zinc/47/74/38/818477438.db2.gz GAJHJQBYUKUJHR-UHFFFAOYSA-N -1 3 255.308 3.292 20 0 CGADHM [O-]c1c(F)ccc(CN2CC[C@@H]3CCC[C@@H]3C2)c1F ZINC001232934882 818477773 /nfs/dbraw/zinc/47/77/73/818477773.db2.gz XCHCHVJMIBAGCT-WDEREUQCSA-N -1 3 267.319 3.292 20 0 CGADHM C[C@H]1C(=O)CCN(Cc2cccc([O-])c2F)C12CCCC2 ZINC001233055006 818512996 /nfs/dbraw/zinc/51/29/96/818512996.db2.gz JAMRCTAABVYPKY-LBPRGKRZSA-N -1 3 291.366 3.255 20 0 CGADHM O=C(c1ccccc1)[C@@H]1CCN(Cc2cccc([O-])c2F)C1 ZINC001233054691 818513285 /nfs/dbraw/zinc/51/32/85/818513285.db2.gz USJWGQTUYKNXRP-OAHLLOKOSA-N -1 3 299.345 3.236 20 0 CGADHM COc1cccc2c1CN(Cc1cccc([O-])c1F)C2 ZINC001233056562 818515676 /nfs/dbraw/zinc/51/56/76/818515676.db2.gz GHLHUKBIAVYNDG-UHFFFAOYSA-N -1 3 273.307 3.056 20 0 CGADHM CCN(Cc1ccc([S-])cc1)Cc1cccnc1 ZINC001233261093 818558660 /nfs/dbraw/zinc/55/86/60/818558660.db2.gz AZSXOODMJVPVLB-UHFFFAOYSA-N -1 3 258.390 3.392 20 0 CGADHM [O-]c1ccc(F)c(CN(Cc2ccco2)C2CC2)c1F ZINC001233396467 818611395 /nfs/dbraw/zinc/61/13/95/818611395.db2.gz DVBLUQOEBLYPSV-UHFFFAOYSA-N -1 3 279.286 3.428 20 0 CGADHM CCCCOC(=O)[C@@H](C)Oc1cc(Cl)c([O-])cc1C ZINC001233592791 818652317 /nfs/dbraw/zinc/65/23/17/818652317.db2.gz PCRLJGYJRLFUOV-SNVBAGLBSA-N -1 3 286.755 3.465 20 0 CGADHM CCC(=O)[C@@H](CC)Oc1cc(Cl)c([O-])cc1C ZINC001233592828 818652470 /nfs/dbraw/zinc/65/24/70/818652470.db2.gz QBFMGQOVZLNKDI-GFCCVEGCSA-N -1 3 256.729 3.491 20 0 CGADHM C[C@@H](COc1ccc2occ([O-])c2c1)OCc1ccccc1 ZINC001233677790 818677251 /nfs/dbraw/zinc/67/72/51/818677251.db2.gz OAKLXNUDKJTRDK-ZDUSSCGKSA-N -1 3 298.338 3.246 20 0 CGADHM C[C@@H]1CCC[C@@H](C)C1Oc1ccc2occ([O-])c2c1 ZINC001233681124 818678818 /nfs/dbraw/zinc/67/88/18/818678818.db2.gz SIXCPOCGRCSNBN-GHMZBOCLSA-N -1 3 260.333 3.465 20 0 CGADHM CCOC(=O)[C@H](Oc1cc([O-])cc(F)c1)c1ccccc1 ZINC001233817832 818712310 /nfs/dbraw/zinc/71/23/10/818712310.db2.gz VKSQHYKAQZNYFP-OAHLLOKOSA-N -1 3 290.290 3.215 20 0 CGADHM C[C@@H](Oc1cccc([O-])c1F)c1ccncc1F ZINC001233870674 818722506 /nfs/dbraw/zinc/72/25/06/818722506.db2.gz GWIQOPZWYMOMIP-MRVPVSSYSA-N -1 3 251.232 3.205 20 0 CGADHM C[C@@H](Oc1cccc([O-])c1C(N)=O)c1ccccc1Cl ZINC001234146333 818789934 /nfs/dbraw/zinc/78/99/34/818789934.db2.gz BXPYUWXAGXFRMI-SECBINFHSA-N -1 3 291.734 3.285 20 0 CGADHM C[C@H](COc1ccccc1)Oc1nc2c(cccc2[O-])[nH]1 ZINC001234447258 818857146 /nfs/dbraw/zinc/85/71/46/818857146.db2.gz LSEWEXCNYVONBK-LLVKDONJSA-N -1 3 284.315 3.115 20 0 CGADHM O=c1[n-]cnc(O[C@@H]2CCC(F)(F)C2)c1-c1ccccc1 ZINC001234692205 818917492 /nfs/dbraw/zinc/91/74/92/818917492.db2.gz MOGABJYEMUVXDA-LLVKDONJSA-N -1 3 292.285 3.416 20 0 CGADHM C[C@H](Oc1nc2ccsc2[n-]1)c1nccs1 ZINC001234848457 818932408 /nfs/dbraw/zinc/93/24/08/818932408.db2.gz PTHZXYWLXBVPEG-LURJTMIESA-N -1 3 251.336 3.221 20 0 CGADHM Cc1cc(NC2CC2)nc(-c2cc([O-])cc(Cl)c2)n1 ZINC001235899942 819209491 /nfs/dbraw/zinc/20/94/91/819209491.db2.gz PVYLKZNESYSVAW-UHFFFAOYSA-N -1 3 275.739 3.385 20 0 CGADHM Cc1ccc(F)c(-c2cncnc2C(F)(F)F)c1[O-] ZINC001236404828 819453225 /nfs/dbraw/zinc/45/32/25/819453225.db2.gz QMHXEPBZAISZMY-UHFFFAOYSA-N -1 3 272.201 3.316 20 0 CGADHM COc1ncc2cc[nH]c2c1-c1c(F)ccc(C)c1[O-] ZINC001236406224 819454375 /nfs/dbraw/zinc/45/43/75/819454375.db2.gz PNTUKPDMWYWIIW-UHFFFAOYSA-N -1 3 272.279 3.392 20 0 CGADHM Cc1ccc(-c2ccc(-c3nnn[n-]3)cc2C)c2c[nH]nc21 ZINC001236507190 819507004 /nfs/dbraw/zinc/50/70/04/819507004.db2.gz WDSXJLNFXQUDGX-UHFFFAOYSA-N -1 3 290.330 3.027 20 0 CGADHM Cc1ccc(-c2ccc(-c3nn[n-]n3)cc2C)c2c[nH]nc21 ZINC001236507190 819507008 /nfs/dbraw/zinc/50/70/08/819507008.db2.gz WDSXJLNFXQUDGX-UHFFFAOYSA-N -1 3 290.330 3.027 20 0 CGADHM [O-]c1cc(CN2CCC[C@@H]2c2ccccn2)ccc1F ZINC001236706250 819577579 /nfs/dbraw/zinc/57/75/79/819577579.db2.gz VIKFBWRIXHRBAH-OAHLLOKOSA-N -1 3 272.323 3.263 20 0 CGADHM COCCOc1ccc(-c2cc(F)cc(F)c2[O-])cc1 ZINC001243502717 823421380 /nfs/dbraw/zinc/42/13/80/823421380.db2.gz PKJHWLLRUJITNA-UHFFFAOYSA-N -1 3 280.270 3.363 20 0 CGADHM [O-]c1c(F)cc(F)cc1-c1ccc(N2CCOCC2)cc1 ZINC001243502629 823421555 /nfs/dbraw/zinc/42/15/55/823421555.db2.gz LOSJHOKAQURRTM-UHFFFAOYSA-N -1 3 291.297 3.174 20 0 CGADHM CN1CCOc2cc(-c3cc(F)cc(F)c3[O-])ccc21 ZINC001243502683 823421561 /nfs/dbraw/zinc/42/15/61/823421561.db2.gz NXZGJPIXMJZJDM-UHFFFAOYSA-N -1 3 277.270 3.166 20 0 CGADHM O=C1CCc2cc(-c3cc(F)cc(F)c3[O-])ccc2O1 ZINC001243503989 823422703 /nfs/dbraw/zinc/42/27/03/823422703.db2.gz LOPTWIICXLDHOO-UHFFFAOYSA-N -1 3 276.238 3.189 20 0 CGADHM Cc1ccn2cc(CN(C)Cc3occc3[S-])nc2c1 ZINC001237186188 819691494 /nfs/dbraw/zinc/69/14/94/819691494.db2.gz IZPGFCOWGCVIPV-UHFFFAOYSA-N -1 3 287.388 3.156 20 0 CGADHM Fc1ccc([C@@H]2COCCN2Cc2occc2[S-])cc1 ZINC001237187064 819692966 /nfs/dbraw/zinc/69/29/66/819692966.db2.gz XJIINVAUTLJEQJ-ZDUSSCGKSA-N -1 3 293.363 3.281 20 0 CGADHM Nc1cc(-c2cccc([O-])c2F)ncc1C(F)(F)F ZINC001243541016 823435642 /nfs/dbraw/zinc/43/56/42/823435642.db2.gz CEGJGPOXXMLCJK-UHFFFAOYSA-N -1 3 272.201 3.194 20 0 CGADHM Cn1c(=O)cc(-c2cccc([O-])c2F)c2ccccc21 ZINC001243548766 823440348 /nfs/dbraw/zinc/44/03/48/823440348.db2.gz IEETVXUAOCNGNM-UHFFFAOYSA-N -1 3 269.275 3.050 20 0 CGADHM CCCc1cccc([N-]S(=O)(=O)c2ccc(N)cc2)c1 ZINC001237987187 819902657 /nfs/dbraw/zinc/90/26/57/819902657.db2.gz RTQPXUOFHXPQSM-UHFFFAOYSA-N -1 3 290.388 3.022 20 0 CGADHM [O-]c1c(F)cc(CN2CC[C@]3(C2)CCCOC3)cc1Cl ZINC001237993508 819905224 /nfs/dbraw/zinc/90/52/24/819905224.db2.gz RQGNUIALOCKWAP-HNNXBMFYSA-N -1 3 299.773 3.187 20 0 CGADHM COC(=O)c1c(F)ccc(-c2cccc([O-])c2F)c1F ZINC001243545832 823437873 /nfs/dbraw/zinc/43/78/73/823437873.db2.gz CILUFQLCQFUQJV-UHFFFAOYSA-N -1 3 282.217 3.263 20 0 CGADHM [O-]c1cccc(-c2ccc(N3CCOCC3)cc2)c1F ZINC001243545233 823438022 /nfs/dbraw/zinc/43/80/22/823438022.db2.gz YXCSQBICLSMCMI-UHFFFAOYSA-N -1 3 273.307 3.035 20 0 CGADHM CC(=O)Nc1cc(-c2cccc([O-])c2F)ccc1C ZINC001243547366 823439523 /nfs/dbraw/zinc/43/95/23/823439523.db2.gz QOXYLEYKMPTKEW-UHFFFAOYSA-N -1 3 259.280 3.465 20 0 CGADHM COc1cccc(-c2ccc(-c3nnn[n-]3)cc2C)c1C ZINC001238994499 820187278 /nfs/dbraw/zinc/18/72/78/820187278.db2.gz VSGCYWYVMADDMH-UHFFFAOYSA-N -1 3 280.331 3.159 20 0 CGADHM COc1cccc(-c2ccc(-c3nn[n-]n3)cc2C)c1C ZINC001238994499 820187283 /nfs/dbraw/zinc/18/72/83/820187283.db2.gz VSGCYWYVMADDMH-UHFFFAOYSA-N -1 3 280.331 3.159 20 0 CGADHM Cc1cc(-c2ccc(C(F)(F)F)cc2[O-])c2ncnn2c1 ZINC001243605631 823464344 /nfs/dbraw/zinc/46/43/44/823464344.db2.gz JAZVQBSEFKVPGY-UHFFFAOYSA-N -1 3 293.248 3.429 20 0 CGADHM Cc1cccc(C)c1-c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001239597942 820444965 /nfs/dbraw/zinc/44/49/65/820444965.db2.gz OSTIMFMSMCWFOT-UHFFFAOYSA-N -1 3 268.295 3.290 20 0 CGADHM Cc1cccc(C)c1-c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001239597942 820444968 /nfs/dbraw/zinc/44/49/68/820444968.db2.gz OSTIMFMSMCWFOT-UHFFFAOYSA-N -1 3 268.295 3.290 20 0 CGADHM Fc1cc(-c2nnn[n-]2)cc(-c2ccc3[nH]ccc3c2)c1 ZINC001239697020 820529157 /nfs/dbraw/zinc/52/91/57/820529157.db2.gz IFYBDVNKUWROHD-UHFFFAOYSA-N -1 3 279.278 3.154 20 0 CGADHM Fc1cc(-c2nn[n-]n2)cc(-c2ccc3[nH]ccc3c2)c1 ZINC001239697020 820529162 /nfs/dbraw/zinc/52/91/62/820529162.db2.gz IFYBDVNKUWROHD-UHFFFAOYSA-N -1 3 279.278 3.154 20 0 CGADHM Cc1ccc(-c2cccnc2C2CC2)cc1-c1nnn[n-]1 ZINC001243693034 823488549 /nfs/dbraw/zinc/48/85/49/823488549.db2.gz WVNWXUWVSPYNDK-UHFFFAOYSA-N -1 3 277.331 3.115 20 0 CGADHM Cc1ccc(-c2cccnc2C2CC2)cc1-c1nn[n-]n1 ZINC001243693034 823488551 /nfs/dbraw/zinc/48/85/51/823488551.db2.gz WVNWXUWVSPYNDK-UHFFFAOYSA-N -1 3 277.331 3.115 20 0 CGADHM COC(=O)c1cccc(-c2ccc3c(c2)[N-]C(=S)C3)c1 ZINC001239734526 820560193 /nfs/dbraw/zinc/56/01/93/820560193.db2.gz LHPPDJQFOVTVNS-UHFFFAOYSA-N -1 3 283.352 3.436 20 0 CGADHM CC(C)Oc1cccc(-c2cccc(-c3nnn[n-]3)c2)c1 ZINC001239970387 820749024 /nfs/dbraw/zinc/74/90/24/820749024.db2.gz KNBSLNUYHOHWNQ-UHFFFAOYSA-N -1 3 280.331 3.321 20 0 CGADHM CC(C)Oc1cccc(-c2cccc(-c3nn[n-]n3)c2)c1 ZINC001239970387 820749029 /nfs/dbraw/zinc/74/90/29/820749029.db2.gz KNBSLNUYHOHWNQ-UHFFFAOYSA-N -1 3 280.331 3.321 20 0 CGADHM CC(C)Oc1cccc(-c2cc(F)cc(-c3nnn[n-]3)c2)c1 ZINC001239972216 820750267 /nfs/dbraw/zinc/75/02/67/820750267.db2.gz PZJHNNURCBGJPA-UHFFFAOYSA-N -1 3 298.321 3.460 20 0 CGADHM CC(C)Oc1cccc(-c2cc(F)cc(-c3nn[n-]n3)c2)c1 ZINC001239972216 820750272 /nfs/dbraw/zinc/75/02/72/820750272.db2.gz PZJHNNURCBGJPA-UHFFFAOYSA-N -1 3 298.321 3.460 20 0 CGADHM Cc1cc(-c2ccc(Cc3nnn[n-]3)cc2)c(C)s1 ZINC001240431551 821050807 /nfs/dbraw/zinc/05/08/07/821050807.db2.gz AAGGJUNJTGKOGK-UHFFFAOYSA-N -1 3 270.361 3.136 20 0 CGADHM Cc1cc(-c2ccc(Cc3nn[n-]n3)cc2)c(C)s1 ZINC001240431551 821050817 /nfs/dbraw/zinc/05/08/17/821050817.db2.gz AAGGJUNJTGKOGK-UHFFFAOYSA-N -1 3 270.361 3.136 20 0 CGADHM CSc1cc(-c2ccc([O-])c(F)c2)ncc1F ZINC001240782839 821321597 /nfs/dbraw/zinc/32/15/97/821321597.db2.gz GGCLAJCVGHPZLH-UHFFFAOYSA-N -1 3 253.273 3.454 20 0 CGADHM C[S@](=N)(=O)c1ccc(-c2ccc([O-])c(F)c2)cc1 ZINC001240786322 821326348 /nfs/dbraw/zinc/32/63/48/821326348.db2.gz GTGSKRJYNVRLHP-SFHVURJKSA-N -1 3 265.309 3.234 20 0 CGADHM Cc1ncc2ccc(-c3ccc([O-])c(F)c3)cc2n1 ZINC001240786383 821327082 /nfs/dbraw/zinc/32/70/82/821327082.db2.gz JXOCTKFRZKBTHG-UHFFFAOYSA-N -1 3 254.264 3.450 20 0 CGADHM COC(=O)c1cc2c(cccc2-c2ccc([O-])c(F)c2)[nH]1 ZINC001240786981 821327704 /nfs/dbraw/zinc/32/77/04/821327704.db2.gz FHJYFIFCEGFHKA-UHFFFAOYSA-N -1 3 285.274 3.466 20 0 CGADHM COC(=O)c1cc(-c2ccc([O-])c(F)c2)cc2[nH]ccc21 ZINC001240787109 821329584 /nfs/dbraw/zinc/32/95/84/821329584.db2.gz LLQGHSOFQKJMSB-UHFFFAOYSA-N -1 3 285.274 3.466 20 0 CGADHM [O-]c1ccc(-c2ccc3c(c2)NC(=S)C3)cc1F ZINC001240788030 821330073 /nfs/dbraw/zinc/33/00/73/821330073.db2.gz ATPBPSTXEDMKLI-UHFFFAOYSA-N -1 3 259.305 3.494 20 0 CGADHM COc1cc(-n2ccnc2)ccc1-c1ccc([O-])c(F)c1 ZINC001240789759 821332486 /nfs/dbraw/zinc/33/24/86/821332486.db2.gz CTZKNDMKTOHYRN-UHFFFAOYSA-N -1 3 284.290 3.393 20 0 CGADHM O=c1ccc(-c2ccc([O-])c(F)c2)cn1C1CCC1 ZINC001240790500 821333522 /nfs/dbraw/zinc/33/35/22/821333522.db2.gz MRGLUXCJBYDJSY-UHFFFAOYSA-N -1 3 259.280 3.085 20 0 CGADHM Cc1cc(-c2nnn[n-]2)ccc1-c1cccc2cccnc21 ZINC001240896989 821401000 /nfs/dbraw/zinc/40/10/00/821401000.db2.gz WZKQOTKLDCZJOY-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM Cc1cc(-c2nn[n-]n2)ccc1-c1cccc2cccnc21 ZINC001240896989 821401004 /nfs/dbraw/zinc/40/10/04/821401004.db2.gz WZKQOTKLDCZJOY-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM [O-]c1ccccc1-c1ncnc2ccc(C(F)(F)F)nc21 ZINC001241003430 821481586 /nfs/dbraw/zinc/48/15/86/821481586.db2.gz MNWPDBCPBUZCEH-UHFFFAOYSA-N -1 3 291.232 3.416 20 0 CGADHM COC(=O)c1ccc2ccnc(-c3ccccc3[O-])c2c1 ZINC001241003450 821482476 /nfs/dbraw/zinc/48/24/76/821482476.db2.gz NNIJXHXEXDKBKR-UHFFFAOYSA-N -1 3 279.295 3.394 20 0 CGADHM CSc1c[nH]c2ncnc(-c3ccccc3[O-])c12 ZINC001241009025 821485142 /nfs/dbraw/zinc/48/51/42/821485142.db2.gz YSUFEWZIINIMGS-UHFFFAOYSA-N -1 3 257.318 3.004 20 0 CGADHM COc1nnc(-c2ccc(C)cc2[O-])cc1C(F)(F)F ZINC001241037789 821512518 /nfs/dbraw/zinc/51/25/18/821512518.db2.gz IHPDSAQIUUPURP-UHFFFAOYSA-N -1 3 284.237 3.185 20 0 CGADHM CCOc1cccc(-c2ccc(C)c(-c3nnn[n-]3)c2)c1 ZINC001241117385 821571513 /nfs/dbraw/zinc/57/15/13/821571513.db2.gz JNVXEWVUOGVGQZ-UHFFFAOYSA-N -1 3 280.331 3.241 20 0 CGADHM CCOc1cccc(-c2ccc(C)c(-c3nn[n-]n3)c2)c1 ZINC001241117385 821571517 /nfs/dbraw/zinc/57/15/17/821571517.db2.gz JNVXEWVUOGVGQZ-UHFFFAOYSA-N -1 3 280.331 3.241 20 0 CGADHM [O-]c1cc(F)cc(-c2cnc3cc(F)c(F)cc3n2)c1 ZINC001241262213 821681097 /nfs/dbraw/zinc/68/10/97/821681097.db2.gz XQHRBVVCOICKNE-UHFFFAOYSA-N -1 3 276.217 3.420 20 0 CGADHM CCOC(=O)Cc1ccccc1-c1cc([O-])cc(F)c1 ZINC001241266905 821686491 /nfs/dbraw/zinc/68/64/91/821686491.db2.gz ODLCDSIJHUOLPQ-UHFFFAOYSA-N -1 3 274.291 3.304 20 0 CGADHM COC(=O)n1ccc2ccc(-c3cc([O-])cc(F)c3)nc21 ZINC001241267475 821686516 /nfs/dbraw/zinc/68/65/16/821686516.db2.gz WEVCDKQVOZKAGU-UHFFFAOYSA-N -1 3 286.262 3.163 20 0 CGADHM C[C@@H]1C(=O)Nc2cc(-c3cc([O-])cc(F)c3)ccc21 ZINC001241267392 821686950 /nfs/dbraw/zinc/68/69/50/821686950.db2.gz UTWXZHJASLLHCS-QMMMGPOBSA-N -1 3 257.264 3.254 20 0 CGADHM COC(=O)CCc1ccccc1-c1cc([O-])cc(F)c1 ZINC001241271913 821690814 /nfs/dbraw/zinc/69/08/14/821690814.db2.gz VTPUZVIVOXNBBD-UHFFFAOYSA-N -1 3 274.291 3.304 20 0 CGADHM O=c1ccc2ccc(-c3cc([O-])cc(F)c3)cc2o1 ZINC001241277690 821696675 /nfs/dbraw/zinc/69/66/75/821696675.db2.gz PBSGFKALSCOSHA-UHFFFAOYSA-N -1 3 256.232 3.305 20 0 CGADHM O=C(c1ccc(-c2cc([O-])cc(F)c2)cc1)N1CCCC1 ZINC001241280268 821698321 /nfs/dbraw/zinc/69/83/21/821698321.db2.gz HCUCFOXNPDCQQF-UHFFFAOYSA-N -1 3 285.318 3.434 20 0 CGADHM O=C1Nc2cc(-c3cc([O-])cc(F)c3)ccc2C12CC2 ZINC001241280317 821698490 /nfs/dbraw/zinc/69/84/90/821698490.db2.gz JYANXOIAEFTITF-UHFFFAOYSA-N -1 3 269.275 3.182 20 0 CGADHM [O-]c1ccc(F)c(-c2ccc3c(c2)OCCCO3)c1F ZINC001241293340 821710545 /nfs/dbraw/zinc/71/05/45/821710545.db2.gz UMBZPIFCYAVUHX-UHFFFAOYSA-N -1 3 278.254 3.499 20 0 CGADHM Fc1cc2[nH]ccc2c(-c2ccc(-c3nnn[n-]3)cc2)c1 ZINC001241443998 821837755 /nfs/dbraw/zinc/83/77/55/821837755.db2.gz LUZNFLNWBPITQA-UHFFFAOYSA-N -1 3 279.278 3.154 20 0 CGADHM Fc1cc2[nH]ccc2c(-c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001241443998 821837762 /nfs/dbraw/zinc/83/77/62/821837762.db2.gz LUZNFLNWBPITQA-UHFFFAOYSA-N -1 3 279.278 3.154 20 0 CGADHM Cc1[nH]c2ncc(-c3ccc(-c4nnn[n-]4)cc3)cc2c1C ZINC001241445713 821840590 /nfs/dbraw/zinc/84/05/90/821840590.db2.gz VDHPLBLNZUSZPH-UHFFFAOYSA-N -1 3 290.330 3.027 20 0 CGADHM Cc1[nH]c2ncc(-c3ccc(-c4nn[n-]n4)cc3)cc2c1C ZINC001241445713 821840600 /nfs/dbraw/zinc/84/06/00/821840600.db2.gz VDHPLBLNZUSZPH-UHFFFAOYSA-N -1 3 290.330 3.027 20 0 CGADHM CC(C)(C)Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)nc1 ZINC001241445766 821840885 /nfs/dbraw/zinc/84/08/85/821840885.db2.gz XKHULDHORHTMAG-UHFFFAOYSA-N -1 3 295.346 3.106 20 0 CGADHM CC(C)(C)Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)nc1 ZINC001241445766 821840894 /nfs/dbraw/zinc/84/08/94/821840894.db2.gz XKHULDHORHTMAG-UHFFFAOYSA-N -1 3 295.346 3.106 20 0 CGADHM CCCOc1ccc(-c2ccc(-c3nnn[n-]3)cc2)c(F)c1 ZINC001241446192 821841753 /nfs/dbraw/zinc/84/17/53/821841753.db2.gz PGANOUBKRXGBLZ-UHFFFAOYSA-N -1 3 298.321 3.462 20 0 CGADHM CCCOc1ccc(-c2ccc(-c3nn[n-]n3)cc2)c(F)c1 ZINC001241446192 821841762 /nfs/dbraw/zinc/84/17/62/821841762.db2.gz PGANOUBKRXGBLZ-UHFFFAOYSA-N -1 3 298.321 3.462 20 0 CGADHM CCOc1c(F)cccc1-c1ccc(-c2nnn[n-]2)cc1 ZINC001241446488 821843590 /nfs/dbraw/zinc/84/35/90/821843590.db2.gz ZHFKEPOJUGXHCO-UHFFFAOYSA-N -1 3 284.294 3.072 20 0 CGADHM CCOc1c(F)cccc1-c1ccc(-c2nn[n-]n2)cc1 ZINC001241446488 821843599 /nfs/dbraw/zinc/84/35/99/821843599.db2.gz ZHFKEPOJUGXHCO-UHFFFAOYSA-N -1 3 284.294 3.072 20 0 CGADHM CCCOc1cccc(-c2ccccc2-c2nnn[n-]2)c1 ZINC001241590230 821975787 /nfs/dbraw/zinc/97/57/87/821975787.db2.gz OBYARDGUZKCSEA-UHFFFAOYSA-N -1 3 280.331 3.323 20 0 CGADHM CCCOc1cccc(-c2ccccc2-c2nn[n-]n2)c1 ZINC001241590230 821975790 /nfs/dbraw/zinc/97/57/90/821975790.db2.gz OBYARDGUZKCSEA-UHFFFAOYSA-N -1 3 280.331 3.323 20 0 CGADHM Cc1n[nH]c2cc(-c3ccc(C)c(-c4nn[n-]n4)c3)ccc12 ZINC001241641957 822025545 /nfs/dbraw/zinc/02/55/45/822025545.db2.gz BWWHFHVLIIRUTQ-UHFFFAOYSA-N -1 3 290.330 3.027 20 0 CGADHM COc1cc(Cl)ccc1-c1ccc(=S)[n-]n1 ZINC001241893801 822200863 /nfs/dbraw/zinc/20/08/63/822200863.db2.gz PDFLWDJXVZANKO-UHFFFAOYSA-N -1 3 252.726 3.094 20 0 CGADHM COc1cc(Cl)ccc1-c1ccccc1-c1nnn[n-]1 ZINC001241896885 822202664 /nfs/dbraw/zinc/20/26/64/822202664.db2.gz WHJJCOUGCLZGSJ-UHFFFAOYSA-N -1 3 286.722 3.196 20 0 CGADHM COc1cc(Cl)ccc1-c1ccccc1-c1nn[n-]n1 ZINC001241896885 822202670 /nfs/dbraw/zinc/20/26/70/822202670.db2.gz WHJJCOUGCLZGSJ-UHFFFAOYSA-N -1 3 286.722 3.196 20 0 CGADHM C=Cc1ccccc1-c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001242015007 822280248 /nfs/dbraw/zinc/28/02/48/822280248.db2.gz XISUKBHDORASGM-UHFFFAOYSA-N -1 3 266.279 3.316 20 0 CGADHM C=Cc1ccccc1-c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001242015007 822280255 /nfs/dbraw/zinc/28/02/55/822280255.db2.gz XISUKBHDORASGM-UHFFFAOYSA-N -1 3 266.279 3.316 20 0 CGADHM CO[C@@H](C)c1cccc(-c2ccc(-c3nnn[n-]3)cc2)c1 ZINC001242033476 822297644 /nfs/dbraw/zinc/29/76/44/822297644.db2.gz ZUPKRLOXRDXSMN-NSHDSACASA-N -1 3 280.331 3.241 20 0 CGADHM CO[C@@H](C)c1cccc(-c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001242033476 822297647 /nfs/dbraw/zinc/29/76/47/822297647.db2.gz ZUPKRLOXRDXSMN-NSHDSACASA-N -1 3 280.331 3.241 20 0 CGADHM CO[C@@H](C)c1cccc(-c2cccc(-c3nnn[n-]3)c2)c1 ZINC001242036942 822299058 /nfs/dbraw/zinc/29/90/58/822299058.db2.gz KOTJRFLVEBYHKF-NSHDSACASA-N -1 3 280.331 3.241 20 0 CGADHM CO[C@@H](C)c1cccc(-c2cccc(-c3nn[n-]n3)c2)c1 ZINC001242036942 822299066 /nfs/dbraw/zinc/29/90/66/822299066.db2.gz KOTJRFLVEBYHKF-NSHDSACASA-N -1 3 280.331 3.241 20 0 CGADHM O=C1NCc2ccc(-c3ccc([O-])c(C(F)(F)F)c3)cc21 ZINC001242158379 822899102 /nfs/dbraw/zinc/89/91/02/822899102.db2.gz VSJQLALBSXPWRZ-UHFFFAOYSA-N -1 3 293.244 3.321 20 0 CGADHM COC(=O)c1ccc(-c2ccc(F)cc2[O-])cc1C ZINC001242217024 822914275 /nfs/dbraw/zinc/91/42/75/822914275.db2.gz HXRSZMWXFKZBAE-UHFFFAOYSA-N -1 3 260.264 3.293 20 0 CGADHM C[C@@H]1C(=O)Nc2ccc(-c3ccc(F)cc3[O-])cc21 ZINC001242218241 822914812 /nfs/dbraw/zinc/91/48/12/822914812.db2.gz YNTNDXKXSXAGQX-QMMMGPOBSA-N -1 3 257.264 3.254 20 0 CGADHM O=C1CCc2cccc(-c3ccc(F)cc3[O-])c2N1 ZINC001242219166 822915580 /nfs/dbraw/zinc/91/55/80/822915580.db2.gz ZZYKRJLGPIPICC-UHFFFAOYSA-N -1 3 257.264 3.083 20 0 CGADHM CC(C)(C)NC(=O)c1cncc(-c2ccc(F)cc2[O-])c1 ZINC001242219947 822916365 /nfs/dbraw/zinc/91/63/65/822916365.db2.gz XVSUXPUUZPHHFJ-UHFFFAOYSA-N -1 3 288.322 3.122 20 0 CGADHM COC(=O)c1cccc(C)c1-c1ccc(F)cc1[O-] ZINC001242220580 822916888 /nfs/dbraw/zinc/91/68/88/822916888.db2.gz FWZSWGBLTRVEAB-UHFFFAOYSA-N -1 3 260.264 3.293 20 0 CGADHM Fc1ccc(-c2ccc3cnccc3c2)cc1-c1nnn[n-]1 ZINC001242247383 822926015 /nfs/dbraw/zinc/92/60/15/822926015.db2.gz QITSFTMYXLDQPL-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Fc1ccc(-c2ccc3cnccc3c2)cc1-c1nn[n-]n1 ZINC001242247383 822926016 /nfs/dbraw/zinc/92/60/16/822926016.db2.gz QITSFTMYXLDQPL-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Fc1cc(-c2ccc3cccnc3c2)ccc1-c1nnn[n-]1 ZINC001242251388 822927995 /nfs/dbraw/zinc/92/79/95/822927995.db2.gz FSGJJEKWUMTZIX-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Fc1cc(-c2ccc3cccnc3c2)ccc1-c1nn[n-]n1 ZINC001242251388 822927997 /nfs/dbraw/zinc/92/79/97/822927997.db2.gz FSGJJEKWUMTZIX-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Cc1c(F)cc(-c2cccc(-c3nnn[n-]3)c2)cc1F ZINC001242288561 822939809 /nfs/dbraw/zinc/93/98/09/822939809.db2.gz MOXCXAXZXHLJOO-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM Cc1c(F)cc(-c2cccc(-c3nn[n-]n3)c2)cc1F ZINC001242288561 822939810 /nfs/dbraw/zinc/93/98/10/822939810.db2.gz MOXCXAXZXHLJOO-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM [O-]c1c(F)cccc1-c1ccc2c(c1)[C@@H](O)CCO2 ZINC001242350660 822961236 /nfs/dbraw/zinc/96/12/36/822961236.db2.gz JLBDUVGJDBDZOC-ZDUSSCGKSA-N -1 3 260.264 3.014 20 0 CGADHM [O-]c1c(F)cccc1-c1ccccc1Cn1ccnc1 ZINC001242352361 822961720 /nfs/dbraw/zinc/96/17/20/822961720.db2.gz UHCYHKXLFZLGHM-UHFFFAOYSA-N -1 3 268.291 3.443 20 0 CGADHM Nc1ccc2cc(-c3cccc(F)c3[O-])ccc2n1 ZINC001242352040 822961996 /nfs/dbraw/zinc/96/19/96/822961996.db2.gz IZXWXQFJILVUCZ-UHFFFAOYSA-N -1 3 254.264 3.329 20 0 CGADHM COC(=O)c1ccc(-c2cccc(F)c2[O-])cc1F ZINC001242351583 822962057 /nfs/dbraw/zinc/96/20/57/822962057.db2.gz XKHWFICACGCKPB-UHFFFAOYSA-N -1 3 264.227 3.124 20 0 CGADHM COC(OC)c1ccc(-c2cccc(F)c2[O-])cc1 ZINC001242353715 822963427 /nfs/dbraw/zinc/96/34/27/822963427.db2.gz OQWRSAWUYTZVRD-UHFFFAOYSA-N -1 3 262.280 3.490 20 0 CGADHM CCc1ccc([C@H](COC)NCc2ccc([O-])c(F)c2)o1 ZINC001335465706 936147354 /nfs/dbraw/zinc/14/73/54/936147354.db2.gz LDLPEGYAHAUNAS-AWEZNQCLSA-N -1 3 293.338 3.164 20 0 CGADHM O=C(/C=C/c1nccs1)Nc1cc(Cl)ccc1[O-] ZINC001346289276 936844503 /nfs/dbraw/zinc/84/45/03/936844503.db2.gz YPAHFDWDOSHLPV-ONEGZZNKSA-N -1 3 280.736 3.154 20 0 CGADHM Cc1ccc(-c2nc(NC(=O)c3cc[nH]c3C(C)C)n[n-]2)o1 ZINC001346304507 936844636 /nfs/dbraw/zinc/84/46/36/936844636.db2.gz BCOFSXXJFZBFCX-UHFFFAOYSA-N -1 3 299.334 3.077 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)NC[C@H]1C[C@@H]1C1CCCC1 ZINC001347569880 936888822 /nfs/dbraw/zinc/88/88/22/936888822.db2.gz SAYSIXWRWCSLSJ-ZIAGYGMSSA-N -1 3 291.366 3.016 20 0 CGADHM O=C([N-]c1nnc(C(F)F)s1)c1cc2c(o1)CCCC2 ZINC001348564756 936926972 /nfs/dbraw/zinc/92/69/72/936926972.db2.gz DBRYHHIUQPHKNP-UHFFFAOYSA-N -1 3 299.302 3.200 20 0 CGADHM COc1ccc(CN2CC[C@H](C(=O)[O-])C[C@@H]2C)cc1Cl ZINC000234930549 928211295 /nfs/dbraw/zinc/21/12/95/928211295.db2.gz ZFLZAEFUFFFGCA-JQWIXIFHSA-N -1 3 297.782 3.034 20 0 CGADHM O=C(Nc1ccccn1)c1cc2sccc2c([O-])c1 ZINC001440868389 937334211 /nfs/dbraw/zinc/33/42/11/937334211.db2.gz PSLWXCUBOBEEGU-UHFFFAOYSA-N -1 3 270.313 3.254 20 0 CGADHM CSc1ccc([O-])c(C(=O)NC[C@@H]2CC[C@@H](C)C2)c1 ZINC001448892658 937377340 /nfs/dbraw/zinc/37/73/40/937377340.db2.gz XIVBFZDSJNQTSG-GHMZBOCLSA-N -1 3 279.405 3.280 20 0 CGADHM C[C@H]1CCCC[C@H]1CC(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC001450051577 937382859 /nfs/dbraw/zinc/38/28/59/937382859.db2.gz POXPQWJBNSIFJO-QWRGUYRKSA-N -1 3 287.363 3.423 20 0 CGADHM C[C@H]1C[C@H](CC(=O)[N-]OCc2ccccn2)CC(C)(C)C1 ZINC001451090735 937389346 /nfs/dbraw/zinc/38/93/46/937389346.db2.gz KLEOFRUPIPNINK-UONOGXRCSA-N -1 3 290.407 3.482 20 0 CGADHM O=C([O-])[C@H]1CN(C[C@H]2CC=CCC2)Cc2ccccc21 ZINC000402398906 932018112 /nfs/dbraw/zinc/01/81/12/932018112.db2.gz MUHOJCGHKDIHPD-BBRMVZONSA-N -1 3 271.360 3.027 20 0 CGADHM CC(C)[C@@H](C)Oc1cc(O)cc([O-])c1Br ZINC001229097559 932093879 /nfs/dbraw/zinc/09/38/79/932093879.db2.gz UENOTPXCVDWSIJ-SSDOTTSWSA-N -1 3 275.142 3.284 20 0 CGADHM Cc1nc(O[C@H](C)c2ccc(F)c(F)c2)c(C)c(=O)[n-]1 ZINC001229686776 932469466 /nfs/dbraw/zinc/46/94/66/932469466.db2.gz UPNKXWMOYCVQQY-MRVPVSSYSA-N -1 3 280.274 3.217 20 0 CGADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC001229958330 932509443 /nfs/dbraw/zinc/50/94/43/932509443.db2.gz QQIHAFNTGNMWRA-SNVBAGLBSA-N -1 3 284.294 3.146 20 0 CGADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC001229958330 932509449 /nfs/dbraw/zinc/50/94/49/932509449.db2.gz QQIHAFNTGNMWRA-SNVBAGLBSA-N -1 3 284.294 3.146 20 0 CGADHM CC(C)C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC001229955784 932509773 /nfs/dbraw/zinc/50/97/73/932509773.db2.gz ZFKCDBTZEPKHNW-CQSZACIVSA-N -1 3 274.368 3.316 20 0 CGADHM CC(C)C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC001229955784 932509776 /nfs/dbraw/zinc/50/97/76/932509776.db2.gz ZFKCDBTZEPKHNW-CQSZACIVSA-N -1 3 274.368 3.316 20 0 CGADHM Cc1cccc2c1[C@@H](Oc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC001231073907 932672540 /nfs/dbraw/zinc/67/25/40/932672540.db2.gz NXNWWKIYUNVKQY-HNNXBMFYSA-N -1 3 292.342 3.241 20 0 CGADHM CCOC(=O)c1c(Cl)[n-]c(=O)cc1O[C@H](C)C(C)C ZINC001231087070 932676294 /nfs/dbraw/zinc/67/62/94/932676294.db2.gz HNPGGJPKLSJLFW-MRVPVSSYSA-N -1 3 287.743 3.041 20 0 CGADHM CSc1ccc([O-])c(C(=O)N[C@H]2CC[C@@H](C)C2)c1 ZINC001303675652 932831934 /nfs/dbraw/zinc/83/19/34/932831934.db2.gz FBTMDIZDBISVKN-ZJUUUORDSA-N -1 3 265.378 3.033 20 0 CGADHM CCc1ccc2c(c1)CCN2C(=O)Cc1ccc([O-])c(F)c1 ZINC001305105616 932862309 /nfs/dbraw/zinc/86/23/09/932862309.db2.gz BQQPHNYWPOVBOB-UHFFFAOYSA-N -1 3 299.345 3.226 20 0 CGADHM Cc1c[nH]c([N-]c2nc(-c3cc(F)cc(F)c3)ns2)n1 ZINC001306996945 932906529 /nfs/dbraw/zinc/90/65/29/932906529.db2.gz IALJBZCLURVECD-UHFFFAOYSA-N -1 3 293.302 3.258 20 0 CGADHM CC(C)c1ccc(C(=O)Nc2cc(N(C)C)ccn2)c([O-])c1 ZINC001546133493 937660241 /nfs/dbraw/zinc/66/02/41/937660241.db2.gz QMOYOCJWLUYICU-UHFFFAOYSA-N -1 3 299.374 3.229 20 0 CGADHM CC1(C)C[C@@]1(C)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC001309809460 933243906 /nfs/dbraw/zinc/24/39/06/933243906.db2.gz LPQSESLKTLFSQE-NSHDSACASA-N -1 3 293.841 3.116 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)N1CCCc2ccccc21 ZINC001463637273 937678447 /nfs/dbraw/zinc/67/84/47/937678447.db2.gz XSWOCHZUOJKTGD-UHFFFAOYSA-N -1 3 285.318 3.053 20 0 CGADHM C[C@@H]1C[C@H](CC[N-]S(=O)(=O)c2ccco2)CC(C)(C)C1 ZINC001463635612 937678461 /nfs/dbraw/zinc/67/84/61/937678461.db2.gz MEOXLGHJAOVVEV-OLZOCXBDSA-N -1 3 299.436 3.410 20 0 CGADHM C[C@H]1C[C@H](CC[N-]S(=O)(=O)c2ccco2)CC(C)(C)C1 ZINC001463635618 937678627 /nfs/dbraw/zinc/67/86/27/937678627.db2.gz MEOXLGHJAOVVEV-STQMWFEESA-N -1 3 299.436 3.410 20 0 CGADHM CC[C@@H]1CCC[C@@]1(C)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC001464609541 937693408 /nfs/dbraw/zinc/69/34/08/937693408.db2.gz HFTHPOPBMZCVGQ-MLGOLLRUSA-N -1 3 299.378 3.022 20 0 CGADHM CC[C@@H]1CCC[C@@]1(C)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001464609541 937693409 /nfs/dbraw/zinc/69/34/09/937693409.db2.gz HFTHPOPBMZCVGQ-MLGOLLRUSA-N -1 3 299.378 3.022 20 0 CGADHM CCCCCC[C@@H](CC)C(=O)Nc1c(C)[nH]c(=O)[n-]c1=O ZINC001465650476 937702855 /nfs/dbraw/zinc/70/28/55/937702855.db2.gz LCYWKTJOLWGOCA-LLVKDONJSA-N -1 3 295.383 3.131 20 0 CGADHM CC[C@H](NC(=O)c1c(C)cccc1[O-])[C@@H]1CC1(C)C ZINC001469142943 937735466 /nfs/dbraw/zinc/73/54/66/937735466.db2.gz STDJBXVCRHRLTH-RYUDHWBXSA-N -1 3 261.365 3.255 20 0 CGADHM CC(C)(C)O[N-]C(=O)Cc1cccc(Cl)c1Cl ZINC001321159224 934158009 /nfs/dbraw/zinc/15/80/09/934158009.db2.gz PNZMUSMCMWXNKU-UHFFFAOYSA-N -1 3 276.163 3.382 20 0 CGADHM Cc1cccc(C(=O)Nc2ccc3c(n2)CCCC3)c1[O-] ZINC001471717310 937768624 /nfs/dbraw/zinc/76/86/24/937768624.db2.gz KLQVMAUGBJNUQT-UHFFFAOYSA-N -1 3 282.343 3.227 20 0 CGADHM CC(C)(C)ONC(=O)c1cc([O-])c2ccccc2c1 ZINC001323963172 934442707 /nfs/dbraw/zinc/44/27/07/934442707.db2.gz VRUZFKJGWASYCJ-UHFFFAOYSA-N -1 3 259.305 3.005 20 0 CGADHM C[C@@H]1CCCC[C@@H]1CCNC(=O)c1c([O-])cccc1O ZINC001472509048 937777205 /nfs/dbraw/zinc/77/72/05/937777205.db2.gz MSAYGHSQZYLBHG-VXGBXAGGSA-N -1 3 277.364 3.044 20 0 CGADHM CCc1cccc(C(=O)N(C)[C@@H]2CC[C@H](SC)C2)c1[O-] ZINC001324764406 934566059 /nfs/dbraw/zinc/56/60/59/934566059.db2.gz OOIHHTCGWNIAMH-OLZOCXBDSA-N -1 3 293.432 3.311 20 0 CGADHM CS[C@H]1CC[C@@H](N(C)Cc2c(F)ccc([O-])c2F)C1 ZINC001325010097 934881044 /nfs/dbraw/zinc/88/10/44/934881044.db2.gz FXQBNBSQAZXNEO-ZJUUUORDSA-N -1 3 287.375 3.386 20 0 CGADHM CC[C@@H]1CN([C@H](C(=O)[O-])c2ccccc2Cl)CCS1 ZINC001326813366 935010242 /nfs/dbraw/zinc/01/02/42/935010242.db2.gz VJNFIFQATMLALA-MFKMUULPSA-N -1 3 299.823 3.293 20 0 CGADHM CC[C@@H]1CN([C@@H](C(=O)[O-])c2ccccc2Cl)CCS1 ZINC001326813368 935010852 /nfs/dbraw/zinc/01/08/52/935010852.db2.gz VJNFIFQATMLALA-ZWNOBZJWSA-N -1 3 299.823 3.293 20 0 CGADHM CCc1ccc(C(=O)Nc2ncccc2[O-])cc1CC ZINC001329043745 935181209 /nfs/dbraw/zinc/18/12/09/935181209.db2.gz KMUJPIWGWVCQSM-UHFFFAOYSA-N -1 3 270.332 3.164 20 0 CGADHM CC(C)c1oncc1[N-]C(=O)c1ccoc1Cl ZINC001336087236 936175352 /nfs/dbraw/zinc/17/53/52/936175352.db2.gz COCTTXXCOHNQTG-UHFFFAOYSA-N -1 3 254.673 3.297 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-]CCCCCCC(C)C)o1 ZINC001474797464 937879873 /nfs/dbraw/zinc/87/98/73/937879873.db2.gz NHGMVSOLFXKOJR-UHFFFAOYSA-N -1 3 287.425 3.473 20 0 CGADHM CCn1cc(Cl)c(C(=O)[N-]c2c(C)noc2C(C)C)n1 ZINC001535432130 938101170 /nfs/dbraw/zinc/10/11/70/938101170.db2.gz ZBSVXZFAGDNPHN-UHFFFAOYSA-N -1 3 296.758 3.229 20 0 CGADHM C[C@@H]1CC[C@H](OC(=O)c2cccc(Cl)c2[O-])C1 ZINC001537624805 938111834 /nfs/dbraw/zinc/11/18/34/938111834.db2.gz OEHLQMMHZJBYBT-BDAKNGLRSA-N -1 3 254.713 3.391 20 0 CGADHM O=C(c1ccccc1[O-])N1C[C@H](F)[C@@H](Cc2ccccc2)C1 ZINC001551719637 938184642 /nfs/dbraw/zinc/18/46/42/938184642.db2.gz BFYWIGRTHXKLNG-HOCLYGCPSA-N -1 3 299.345 3.045 20 0 CGADHM Cc1cccc([O-])c1C(=O)Nc1cc2c[nH]nc2cc1C ZINC001556190035 938202327 /nfs/dbraw/zinc/20/23/27/938202327.db2.gz OWZIAEFPXLQSGO-UHFFFAOYSA-N -1 3 281.315 3.138 20 0 CGADHM O=C(Nc1c([O-])cccc1Cl)[C@@H]1C[C@H]1c1cccnc1 ZINC001556784564 938205757 /nfs/dbraw/zinc/20/57/57/938205757.db2.gz XUQRCBJJUZPOIP-WDEREUQCSA-N -1 3 288.734 3.183 20 0 CGADHM Cc1cc(=O)[n-]c(CN2CCc3cc(C(C)C)ccc3C2)n1 ZINC001560242067 938248668 /nfs/dbraw/zinc/24/86/68/938248668.db2.gz ZIHBYIPZZQFQIZ-UHFFFAOYSA-N -1 3 297.402 3.172 20 0 CGADHM CC(C)[C@@H]1CCC[C@@H](Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000230990702 944626096 /nfs/dbraw/zinc/62/60/96/944626096.db2.gz MRABYQRLVCJOEZ-TZMCWYRMSA-N -1 3 285.395 3.493 20 0 CGADHM CC(C)[C@@H]1CCC[C@@H](Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000230990702 944626103 /nfs/dbraw/zinc/62/61/03/944626103.db2.gz MRABYQRLVCJOEZ-TZMCWYRMSA-N -1 3 285.395 3.493 20 0 CGADHM C[C@@](NCc1ccc(F)cc1)(C(=O)[O-])c1ccc(F)cc1 ZINC000041756917 957393023 /nfs/dbraw/zinc/39/30/23/957393023.db2.gz LMOGKRFHHHRPSS-INIZCTEOSA-N -1 3 291.297 3.054 20 0 CGADHM O=C([O-])[C@@H](N[C@H]1CCC(F)(F)C1)c1ccccc1Cl ZINC001601665809 960542564 /nfs/dbraw/zinc/54/25/64/960542564.db2.gz HDIAVDDGDYFCNF-KWQFWETISA-N -1 3 289.709 3.243 20 0 CGADHM Cc1cccc([O-])c1C(=O)N[C@@H]1C[C@@H](OC(C)C)C1(C)C ZINC001567322391 961282226 /nfs/dbraw/zinc/28/22/26/961282226.db2.gz CHGOSMJVAYMISB-ZIAGYGMSSA-N -1 3 291.391 3.023 20 0 CGADHM C/C(=C\C(=O)Nc1ncccc1[O-])c1ccccc1C ZINC001567485426 961353151 /nfs/dbraw/zinc/35/31/51/961353151.db2.gz IGAIQGBLDLRHOO-ZRDIBKRKSA-N -1 3 268.316 3.138 20 0 CGADHM O=C(/C=C/c1ccc(O)cc1)Nc1c([O-])cccc1Cl ZINC001569682947 961820970 /nfs/dbraw/zinc/82/09/70/961820970.db2.gz ZHLBPHLODRMQIB-RMKNXTFCSA-N -1 3 289.718 3.403 20 0 CGADHM CCCCCCOc1ccc(-c2nn[n-]n2)c(C)c1 ZINC001577508791 962554637 /nfs/dbraw/zinc/55/46/37/962554637.db2.gz NRFIZGHIQANZNW-UHFFFAOYSA-N -1 3 260.341 3.134 20 0 CGADHM Fc1ccc(-c2nnn[n-]2)c(Oc2ccc(F)c(F)c2)c1 ZINC001581853441 962757024 /nfs/dbraw/zinc/75/70/24/962757024.db2.gz LOCLUMACUUOREW-UHFFFAOYSA-N -1 3 292.220 3.076 20 0 CGADHM Fc1ccc(-c2nn[n-]n2)c(Oc2ccc(F)c(F)c2)c1 ZINC001581853441 962757045 /nfs/dbraw/zinc/75/70/45/962757045.db2.gz LOCLUMACUUOREW-UHFFFAOYSA-N -1 3 292.220 3.076 20 0 CGADHM Cc1nocc1[N-]C(=O)c1cc(F)cc2ccoc21 ZINC001585127407 962984024 /nfs/dbraw/zinc/98/40/24/962984024.db2.gz SVLAMWQFVMUIGC-UHFFFAOYSA-N -1 3 260.224 3.121 20 0 CGADHM CN(C(=O)c1cc2sccc2c([O-])c1)c1cccnc1 ZINC001585164162 962989159 /nfs/dbraw/zinc/98/91/59/962989159.db2.gz ZXPLONARQBKKRW-UHFFFAOYSA-N -1 3 284.340 3.279 20 0 CGADHM C1=C[C@@H]2C[C@H]1C[C@H]2CSc1cccc(-c2nnn[n-]2)c1 ZINC001588387796 963269212 /nfs/dbraw/zinc/26/92/12/963269212.db2.gz XOFUXHCMMKZSPT-LOWVWBTDSA-N -1 3 284.388 3.171 20 0 CGADHM C1=C[C@@H]2C[C@H]1C[C@H]2CSc1cccc(-c2nn[n-]n2)c1 ZINC001588387796 963269227 /nfs/dbraw/zinc/26/92/27/963269227.db2.gz XOFUXHCMMKZSPT-LOWVWBTDSA-N -1 3 284.388 3.171 20 0 CGADHM c1cc(S[C@@H]2C=CCCCCC2)ncc1-c1nnn[n-]1 ZINC001588387703 963271949 /nfs/dbraw/zinc/27/19/49/963271949.db2.gz FCWDZFJMLLMMLM-GFCCVEGCSA-N -1 3 287.392 3.243 20 0 CGADHM c1cc(S[C@@H]2C=CCCCCC2)ncc1-c1nn[n-]n1 ZINC001588387703 963271958 /nfs/dbraw/zinc/27/19/58/963271958.db2.gz FCWDZFJMLLMMLM-GFCCVEGCSA-N -1 3 287.392 3.243 20 0 CGADHM CC[C@@H](NCCCC(=O)[O-])c1nc(C(F)(F)F)cs1 ZINC001589569455 964001449 /nfs/dbraw/zinc/00/14/49/964001449.db2.gz HKKQNVURGFKWMM-SSDOTTSWSA-N -1 3 296.314 3.067 20 0 CGADHM CC(C)CCN(C)c1cccc(Cl)c1-c1nnn[n-]1 ZINC001589600665 964007911 /nfs/dbraw/zinc/00/79/11/964007911.db2.gz RPANUTNIXRLQEA-UHFFFAOYSA-N -1 3 279.775 3.002 20 0 CGADHM CC(C)CCN(C)c1cccc(Cl)c1-c1nn[n-]n1 ZINC001589600665 964007921 /nfs/dbraw/zinc/00/79/21/964007921.db2.gz RPANUTNIXRLQEA-UHFFFAOYSA-N -1 3 279.775 3.002 20 0 CGADHM CC(C)CSCc1cc(Cl)cc(-c2nnn[n-]2)c1 ZINC001589653376 964011590 /nfs/dbraw/zinc/01/15/90/964011590.db2.gz KNPSPNIMLHXHID-UHFFFAOYSA-N -1 3 282.800 3.409 20 0 CGADHM CC(C)CSCc1cc(Cl)cc(-c2nn[n-]n2)c1 ZINC001589653376 964011598 /nfs/dbraw/zinc/01/15/98/964011598.db2.gz KNPSPNIMLHXHID-UHFFFAOYSA-N -1 3 282.800 3.409 20 0 CGADHM O=C([O-])C1CC(NCc2cc(Cl)cc(Cl)c2F)C1 ZINC001605983050 973018556 /nfs/dbraw/zinc/01/85/56/973018556.db2.gz FUBMRRYZKOWRDQ-UHFFFAOYSA-N -1 3 292.137 3.085 20 0 CGADHM CCC(CC)n1ccc(CN(CC(=O)[O-])CC(C)(C)C)n1 ZINC001603545088 973604934 /nfs/dbraw/zinc/60/49/34/973604934.db2.gz ZFUNXQVZTWETPA-UHFFFAOYSA-N -1 3 295.427 3.177 20 0 CGADHM CC(C)O[C@@H]1C[C@H](N[C@@H](C)c2cc(C(=O)[O-])co2)C1(C)C ZINC001591695793 975525809 /nfs/dbraw/zinc/52/58/09/975525809.db2.gz LDVIMXOAFBKRHE-LEWSCRJBSA-N -1 3 295.379 3.221 20 0 CGADHM CC[C@](C)(CC(=O)[O-])NCc1nc(Cl)ccc1Cl ZINC001594828999 982002619 /nfs/dbraw/zinc/00/26/19/982002619.db2.gz YXHZZAOVPISVMV-GFCCVEGCSA-N -1 3 291.178 3.121 20 0 CGADHM CC(C)(C)[C@@H]1CCN(Cc2cc(C(=O)[O-])cs2)CCO1 ZINC001589732552 987963110 /nfs/dbraw/zinc/96/31/10/987963110.db2.gz TVMAGVWDZSVKSV-ZDUSSCGKSA-N -1 3 297.420 3.083 20 0 CGADHM CCc1cccc(CNCc2ccc(OCC(=O)[O-])cc2)c1 ZINC001597587496 988412765 /nfs/dbraw/zinc/41/27/65/988412765.db2.gz ZFHREFTYDMJCSB-UHFFFAOYSA-N -1 3 299.370 3.002 20 0 CGADHM C[C@H](NCc1cc(C(=O)[O-])c2n1CCCC2)c1ccccc1 ZINC001593289602 994665097 /nfs/dbraw/zinc/66/50/97/994665097.db2.gz VMYFUINJVVQKPJ-ZDUSSCGKSA-N -1 3 298.386 3.373 20 0 CGADHM C[C@H](NCc1cccc(OCC(=O)[O-])c1)c1cccs1 ZINC001593305306 994761141 /nfs/dbraw/zinc/76/11/41/994761141.db2.gz WKNWAQBDAKKMQR-NSHDSACASA-N -1 3 291.372 3.062 20 0 CGADHM C[C@H](c1ncc(C(=O)[O-])s1)N1CC[C@H](C2CCCC2)C1 ZINC001593732499 996313754 /nfs/dbraw/zinc/31/37/54/996313754.db2.gz VPSGDVVEWLXOEM-PWSUYJOCSA-N -1 3 294.420 3.414 20 0 CGADHM Cc1cccc(C(=O)N2CCC[C@@H]2c2ccc(O)cc2)c1[O-] ZINC000620974972 349438050 /nfs/dbraw/zinc/43/80/50/349438050.db2.gz MBPRZDKKUWYIAO-MRXNPFEDSA-N -1 3 297.354 3.384 20 0 CGADHM CCC[C@H]1C[C@H](C(=O)Nc2ccc([O-])cc2F)CCO1 ZINC000124494264 187140331 /nfs/dbraw/zinc/14/03/31/187140331.db2.gz ZSCBOEGFXTUXJR-PWSUYJOCSA-N -1 3 281.327 3.065 20 0 CGADHM CC(C)[C@H]1C[C@H](CC(=O)Nc2ccccc2[O-])CCO1 ZINC000273049927 192030428 /nfs/dbraw/zinc/03/04/28/192030428.db2.gz UYFIXMOWORCMOJ-IUODEOHRSA-N -1 3 277.364 3.172 20 0 CGADHM CCCC[C@H](C)C(=O)Nc1nnc(-c2ccc(C)o2)[n-]1 ZINC000337648591 214195433 /nfs/dbraw/zinc/19/54/33/214195433.db2.gz JMYQYIXLZGZYTC-VIFPVBQESA-N -1 3 276.340 3.138 20 0 CGADHM CCCC[C@H](C)C(=O)Nc1nc(-c2ccc(C)o2)n[n-]1 ZINC000337648591 214195436 /nfs/dbraw/zinc/19/54/36/214195436.db2.gz JMYQYIXLZGZYTC-VIFPVBQESA-N -1 3 276.340 3.138 20 0 CGADHM CCCC[C@H](C)C(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC000337648591 214195440 /nfs/dbraw/zinc/19/54/40/214195440.db2.gz JMYQYIXLZGZYTC-VIFPVBQESA-N -1 3 276.340 3.138 20 0 CGADHM CCN(C(=O)c1cc([O-])cc(C(F)(F)F)c1)C1CCC1 ZINC000621878715 349601001 /nfs/dbraw/zinc/60/10/01/349601001.db2.gz ZCMWBMQIXIDVJJ-UHFFFAOYSA-N -1 3 287.281 3.426 20 0 CGADHM CC(C)=CCCNC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621970365 349615594 /nfs/dbraw/zinc/61/55/94/349615594.db2.gz ASVHKHNLHXEYGV-UHFFFAOYSA-N -1 3 287.281 3.497 20 0 CGADHM COc1ccccc1C(C)(C)NC(=O)c1cc(C)ccc1[O-] ZINC000590684068 346863032 /nfs/dbraw/zinc/86/30/32/346863032.db2.gz YMAFBKWDTJRVMQ-UHFFFAOYSA-N -1 3 299.370 3.374 20 0 CGADHM COc1ccccc1C(C)(C)NC(=O)c1ccc(C)cc1[O-] ZINC000590684033 346863168 /nfs/dbraw/zinc/86/31/68/346863168.db2.gz SQMZVGQENRSVAV-UHFFFAOYSA-N -1 3 299.370 3.374 20 0 CGADHM O=S(=O)([N-]C1CC2(CCC2)C1)c1ccc(Cl)s1 ZINC000651918566 398308146 /nfs/dbraw/zinc/30/81/46/398308146.db2.gz GHSDVMRYMCYLIZ-UHFFFAOYSA-N -1 3 291.825 3.013 20 0 CGADHM CC(=O)c1ccc(CC(=O)Nc2ccc(C)cc2[O-])cc1 ZINC000338087768 214393487 /nfs/dbraw/zinc/39/34/87/214393487.db2.gz GMIPTCJZDTZCQD-UHFFFAOYSA-N -1 3 283.327 3.084 20 0 CGADHM CC[C@@H](C)n1ncc(C(=O)Nc2ccc(C)cc2[O-])c1C ZINC000358129222 529441194 /nfs/dbraw/zinc/44/11/94/529441194.db2.gz RBJZETYTIYTXCN-LLVKDONJSA-N -1 3 287.363 3.429 20 0 CGADHM CCc1ccc(C(=O)N[C@H](C)c2ccc(OC)cc2)c([O-])c1 ZINC000622297563 349669502 /nfs/dbraw/zinc/66/95/02/349669502.db2.gz CKYOIDJFLHQROB-GFCCVEGCSA-N -1 3 299.370 3.454 20 0 CGADHM CCc1[n-][nH]c(=NC(=O)[C@]2(C)CC[C@H](C)C2(C)C)c1C ZINC000412074170 529460379 /nfs/dbraw/zinc/46/03/79/529460379.db2.gz MIVKGNYDKOUEJY-QFYYESIMSA-N -1 3 277.412 3.103 20 0 CGADHM Cc1cc(F)cc(NC(=O)Cc2ccc([O-])c(F)c2)c1 ZINC000622452502 349680065 /nfs/dbraw/zinc/68/00/65/349680065.db2.gz MYZBVWRQCKCZAV-UHFFFAOYSA-N -1 3 277.270 3.160 20 0 CGADHM CCc1cc(C(=O)N2CC[C@H](c3ccco3)C2)ccc1[O-] ZINC000365967699 529514857 /nfs/dbraw/zinc/51/48/57/529514857.db2.gz HNDQLFYHPVXJRX-AWEZNQCLSA-N -1 3 285.343 3.177 20 0 CGADHM Cc1cc(F)ccc1C[C@@H](C)NC(=O)c1ccccc1[O-] ZINC000622746619 349699001 /nfs/dbraw/zinc/69/90/01/349699001.db2.gz DMRGSYNZLRMEAN-GFCCVEGCSA-N -1 3 287.334 3.201 20 0 CGADHM CCc1ccc(-c2nc(-c3ccn(C)c3)no2)c([O-])c1 ZINC000436881441 529575360 /nfs/dbraw/zinc/57/53/60/529575360.db2.gz OAKUXWWTRINMCS-UHFFFAOYSA-N -1 3 269.304 3.010 20 0 CGADHM CCc1ccc(-c2nc([C@H]3CCO[C@@H](C)C3)no2)c([O-])c1 ZINC000436865865 529578051 /nfs/dbraw/zinc/57/80/51/529578051.db2.gz WBYXJHKVHPVNAT-JQWIXIFHSA-N -1 3 288.347 3.287 20 0 CGADHM CC[C@H](NC(=O)c1ccc(C)c(C)c1[O-])c1ccncc1 ZINC000436562173 529565675 /nfs/dbraw/zinc/56/56/75/529565675.db2.gz LQLZGAOSUYJGTH-HNNXBMFYSA-N -1 3 284.359 3.285 20 0 CGADHM CCc1ccc(C(=O)N2CC(C3CCCC3)C2)c([O-])c1 ZINC000436901500 529594551 /nfs/dbraw/zinc/59/45/51/529594551.db2.gz BNKHOXGSCHSTNE-UHFFFAOYSA-N -1 3 273.376 3.217 20 0 CGADHM CCc1ccc(C(=O)N[C@H](COC)c2ccccc2)c([O-])c1 ZINC000436822432 529608479 /nfs/dbraw/zinc/60/84/79/529608479.db2.gz UMRKOLAKZCLOIQ-MRXNPFEDSA-N -1 3 299.370 3.072 20 0 CGADHM CCc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)[C@@H]2C)c([O-])c1 ZINC000436984523 529601522 /nfs/dbraw/zinc/60/15/22/529601522.db2.gz BTVSYDZZSABGHB-UPJWGTAASA-N -1 3 275.392 3.461 20 0 CGADHM Cc1ccc([O-])c(CN2CC[C@@H](C(F)(F)F)C[C@H]2C)n1 ZINC000295023947 199305250 /nfs/dbraw/zinc/30/52/50/199305250.db2.gz NJYPVKSVKYDCAI-GHMZBOCLSA-N -1 3 288.313 3.258 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CCC[C@@H]1c1cccn1C ZINC000623592493 349843620 /nfs/dbraw/zinc/84/36/20/349843620.db2.gz ODPGPTJVWAUZRG-CQSZACIVSA-N -1 3 284.359 3.016 20 0 CGADHM CN(CC(C)(C)C)C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436680945 529844371 /nfs/dbraw/zinc/84/43/71/529844371.db2.gz LZKMCLUFRXSJQQ-UHFFFAOYSA-N -1 3 291.391 3.224 20 0 CGADHM Cc1cccc([O-])c1C(=O)N(C)[C@@H]1CCCC[C@H]1C ZINC000623818847 349889221 /nfs/dbraw/zinc/88/92/21/349889221.db2.gz FGRVXZWOLZCXGQ-DGCLKSJQSA-N -1 3 261.365 3.351 20 0 CGADHM COc1ccc(C(=O)N[C@H]2CCc3ccc(C)cc32)c([O-])c1 ZINC000592663981 347005058 /nfs/dbraw/zinc/00/50/58/347005058.db2.gz NKINXQBGEJCDKV-INIZCTEOSA-N -1 3 297.354 3.127 20 0 CGADHM CCN(CCSC)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000592917924 347021235 /nfs/dbraw/zinc/02/12/35/347021235.db2.gz MSIFKLVTQOMQIX-UHFFFAOYSA-N -1 3 299.411 3.066 20 0 CGADHM CC(F)(F)CCC(=O)Nc1cc(Cl)ccc1[O-] ZINC000593408449 347072358 /nfs/dbraw/zinc/07/23/58/347072358.db2.gz NKYRDKKWRZRAIX-UHFFFAOYSA-N -1 3 263.671 3.420 20 0 CGADHM Cc1cccc(OCCN(C)C(=O)c2cc(C)ccc2[O-])c1 ZINC000024215312 344899696 /nfs/dbraw/zinc/89/96/96/344899696.db2.gz XXONFXWMIIVEOE-UHFFFAOYSA-N -1 3 299.370 3.160 20 0 CGADHM CCOc1ccccc1NC(=O)c1cc(-c2ccco2)[n-]n1 ZINC000029803312 344920335 /nfs/dbraw/zinc/92/03/35/344920335.db2.gz IFBBGSVKXKIIHY-UHFFFAOYSA-N -1 3 297.314 3.321 20 0 CGADHM CCOc1ccccc1NC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000029803312 344920340 /nfs/dbraw/zinc/92/03/40/344920340.db2.gz IFBBGSVKXKIIHY-UHFFFAOYSA-N -1 3 297.314 3.321 20 0 CGADHM C[C@H]1CCN(Cc2c(F)ccc([O-])c2F)C[C@H]1C ZINC000351618900 219148798 /nfs/dbraw/zinc/14/87/98/219148798.db2.gz CCLUESWEVSACQL-VHSXEESVSA-N -1 3 255.308 3.148 20 0 CGADHM Clc1ccccc1CNc1cccc(-c2nnn[n-]2)c1 ZINC000037102043 344947441 /nfs/dbraw/zinc/94/74/41/344947441.db2.gz RVXIHJCLTBJARE-UHFFFAOYSA-N -1 3 285.738 3.132 20 0 CGADHM Clc1ccccc1CNc1cccc(-c2nn[n-]n2)c1 ZINC000037102043 344947444 /nfs/dbraw/zinc/94/74/44/344947444.db2.gz RVXIHJCLTBJARE-UHFFFAOYSA-N -1 3 285.738 3.132 20 0 CGADHM CN(CCCCNC(=O)c1ccccc1[O-])c1ccccc1 ZINC000054167466 345129740 /nfs/dbraw/zinc/12/97/40/345129740.db2.gz XXYGWBJNCRCOEX-UHFFFAOYSA-N -1 3 298.386 3.039 20 0 CGADHM C[C@@H]1CCC[C@H](N(C)Cc2nc(=O)c3sccc3[n-]2)C1 ZINC000026470618 232170500 /nfs/dbraw/zinc/17/05/00/232170500.db2.gz FTRZVSRRFHMFKG-MNOVXSKESA-N -1 3 291.420 3.407 20 0 CGADHM O=C(COc1cccc(F)c1)Nc1cc(Cl)ccc1[O-] ZINC000069693086 345383776 /nfs/dbraw/zinc/38/37/76/345383776.db2.gz DWRLJSJLNNHGCE-UHFFFAOYSA-N -1 3 295.697 3.202 20 0 CGADHM Cc1ccoc1C(=O)[N-]c1c(F)cc(F)cc1F ZINC000072505310 345410477 /nfs/dbraw/zinc/41/04/77/345410477.db2.gz YFPRROIZBSFWOY-UHFFFAOYSA-N -1 3 255.195 3.258 20 0 CGADHM O=C([N-]c1ccsc1)c1cc(-c2ccccn2)no1 ZINC000073771288 345450038 /nfs/dbraw/zinc/45/00/38/345450038.db2.gz MPFPRUJHMIOQOB-UHFFFAOYSA-N -1 3 271.301 3.050 20 0 CGADHM O=C([O-])[C@@H]1CCC[C@H](NCc2c(F)cccc2Cl)C1 ZINC000070570103 345391778 /nfs/dbraw/zinc/39/17/78/345391778.db2.gz INOCJEGENYFLRQ-ZJUUUORDSA-N -1 3 285.746 3.212 20 0 CGADHM Cc1noc([N-]C(=O)c2oc3c(c2C)c(C)ccc3C)n1 ZINC000057174776 282404907 /nfs/dbraw/zinc/40/49/07/282404907.db2.gz YHFGFHGFQYABMB-UHFFFAOYSA-N -1 3 285.303 3.302 20 0 CGADHM O=C(Cc1coc2ccccc12)Nc1ccccc1[O-] ZINC000082265849 345721914 /nfs/dbraw/zinc/72/19/14/345721914.db2.gz TWYCCBJFZGOKDF-UHFFFAOYSA-N -1 3 267.284 3.320 20 0 CGADHM COc1cc(C(=O)[N-]c2cc(Cl)ccc2Cl)on1 ZINC000090706781 345792258 /nfs/dbraw/zinc/79/22/58/345792258.db2.gz NUZCPMPWGRZZKU-UHFFFAOYSA-N -1 3 287.102 3.242 20 0 CGADHM Cc1ocnc1C[N-]c1nc(-c2cccc(Cl)c2)no1 ZINC000092692163 345853970 /nfs/dbraw/zinc/85/39/70/345853970.db2.gz NYSHYFCHYPVPBJ-UHFFFAOYSA-N -1 3 290.710 3.299 20 0 CGADHM CCc1cccc(C(=O)N(C)c2ccc(F)cc2)c1[O-] ZINC000094031474 345894795 /nfs/dbraw/zinc/89/47/95/345894795.db2.gz OGHPYEBREKELIZ-UHFFFAOYSA-N -1 3 273.307 3.370 20 0 CGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)CCC(C)(C)C ZINC000093314219 345874287 /nfs/dbraw/zinc/87/42/87/345874287.db2.gz AGIKKJGKWZIIHB-UHFFFAOYSA-N -1 3 296.367 3.179 20 0 CGADHM O=C([N-]c1cc(C(F)(F)F)ccc1F)c1cocn1 ZINC000105373227 345928765 /nfs/dbraw/zinc/92/87/65/345928765.db2.gz UIFPYEMKEKDUFD-UHFFFAOYSA-N -1 3 274.173 3.085 20 0 CGADHM CN(Cc1ccc(C(=O)[O-])cn1)C1CCC(C)(C)CC1 ZINC000094860089 345899191 /nfs/dbraw/zinc/89/91/91/345899191.db2.gz ARJMJGHNKREYIW-UHFFFAOYSA-N -1 3 276.380 3.180 20 0 CGADHM CO[C@H](C)c1nc(C)c(C(=O)Nc2ccccc2[O-])s1 ZINC000175008410 232310338 /nfs/dbraw/zinc/31/03/38/232310338.db2.gz VEQSBCMGXONIJL-SECBINFHSA-N -1 3 292.360 3.117 20 0 CGADHM CCn1nc(C(C)C)cc1C(=O)Nc1cccc([O-])c1F ZINC000129701213 346051136 /nfs/dbraw/zinc/05/11/36/346051136.db2.gz SGFSQBRNQAQJHD-UHFFFAOYSA-N -1 3 291.326 3.123 20 0 CGADHM C[C@@H]1CCN(Cc2ccc(C(=O)[O-])cc2F)C[C@@H]1C ZINC000131562283 346066048 /nfs/dbraw/zinc/06/60/48/346066048.db2.gz FFHVOOIQAXFCDC-MNOVXSKESA-N -1 3 265.328 3.002 20 0 CGADHM CC1(C)CCC[C@@H](C(=O)Nc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000339201895 215010997 /nfs/dbraw/zinc/01/09/97/215010997.db2.gz SGXAYIHWTJSFKZ-GFCCVEGCSA-N -1 3 299.378 3.022 20 0 CGADHM CC1(C)CCC[C@@H](C(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000339201895 215011000 /nfs/dbraw/zinc/01/10/00/215011000.db2.gz SGXAYIHWTJSFKZ-GFCCVEGCSA-N -1 3 299.378 3.022 20 0 CGADHM Cc1ccc(NC(=O)[C@H]2CCc3ccccc3C2)c([O-])c1 ZINC000223498822 346300520 /nfs/dbraw/zinc/30/05/20/346300520.db2.gz FIDWGLMJEAFJSD-HNNXBMFYSA-N -1 3 281.355 3.444 20 0 CGADHM O=C([O-])[C@]1(C(F)(F)F)CCN(C/C=C\c2ccccc2)C1 ZINC000227138471 346307918 /nfs/dbraw/zinc/30/79/18/346307918.db2.gz DXCMWSLYHGMKGB-ZBKLQPJUSA-N -1 3 299.292 3.039 20 0 CGADHM COc1ccc(CN[C@@H](C)CCC[C@H](C)C(=O)[O-])c(F)c1 ZINC000228614348 346315097 /nfs/dbraw/zinc/31/50/97/346315097.db2.gz DIVKWZUSDSYCHT-RYUDHWBXSA-N -1 3 297.370 3.203 20 0 CGADHM Cc1ccc(CN2CCCC[C@@H]2C(=O)[O-])c(Cl)c1 ZINC000235871806 346337597 /nfs/dbraw/zinc/33/75/97/346337597.db2.gz DURZZWLSDMNUPX-CYBMUJFWSA-N -1 3 267.756 3.088 20 0 CGADHM CC[C@@H]1CC[C@@H](C)N(C(=O)c2cc(C)ccc2[O-])C1 ZINC000311389704 346472940 /nfs/dbraw/zinc/47/29/40/346472940.db2.gz XXFIJGDKMJGZMQ-CHWSQXEVSA-N -1 3 261.365 3.351 20 0 CGADHM C[C@@H](c1ccccc1)N(C)CCOc1cccc(C(=O)[O-])c1 ZINC000383571839 346562865 /nfs/dbraw/zinc/56/28/65/346562865.db2.gz CXFQREJMZHDCOX-AWEZNQCLSA-N -1 3 299.370 3.457 20 0 CGADHM CC[C@@H]1CC[C@@H](C)N(C(=O)c2ccc(C)cc2[O-])C1 ZINC000388110146 346569132 /nfs/dbraw/zinc/56/91/32/346569132.db2.gz HEQNZLXUIZWKSB-CHWSQXEVSA-N -1 3 261.365 3.351 20 0 CGADHM COc1cc(Cl)ccc1CN1CC[C@H](C)C[C@@H]1C(=O)[O-] ZINC000584844567 346718988 /nfs/dbraw/zinc/71/89/88/346718988.db2.gz FAXLCUZWNRZTTC-GXFFZTMASA-N -1 3 297.782 3.034 20 0 CGADHM CC(C)(CF)NC(=O)CCc1ccc2ccccc2c1[O-] ZINC000450962093 535057228 /nfs/dbraw/zinc/05/72/28/535057228.db2.gz VSRYFMNCOGIOBE-UHFFFAOYSA-N -1 3 289.350 3.342 20 0 CGADHM C[C@@H](CNCc1cccc([O-])c1Cl)C(=O)OC(C)(C)C ZINC000594513658 347184752 /nfs/dbraw/zinc/18/47/52/347184752.db2.gz FDNPEFHDJJEUDU-JTQLQIEISA-N -1 3 299.798 3.113 20 0 CGADHM CCN(CCSC)Cc1cc([O-])ccc1Cl ZINC000599452214 347746118 /nfs/dbraw/zinc/74/61/18/347746118.db2.gz NWRNJWKGPCCFDQ-UHFFFAOYSA-N -1 3 259.802 3.231 20 0 CGADHM CC[C@@H]1C[C@H](C)CN1C(=O)c1cc(SC)ccc1[O-] ZINC000611747884 348473657 /nfs/dbraw/zinc/47/36/57/348473657.db2.gz ONOXYBWTYRKWBC-WDEREUQCSA-N -1 3 279.405 3.375 20 0 CGADHM Cc1ccc(CN(C(=O)c2ccccc2[O-])C2CC2)o1 ZINC000612550000 348527088 /nfs/dbraw/zinc/52/70/88/348527088.db2.gz UGZYEPCACNFVQH-UHFFFAOYSA-N -1 3 271.316 3.098 20 0 CGADHM Cc1cccc(-c2nc3ccc(F)cc3c(=O)[n-]2)c1 ZINC000614115789 348650718 /nfs/dbraw/zinc/65/07/18/348650718.db2.gz QRHJZSOWDIWGFZ-UHFFFAOYSA-N -1 3 254.264 3.450 20 0 CGADHM C[C@@H]1CCN(C(=O)c2ncccc2F)c2c([O-])cccc21 ZINC000613575449 348620182 /nfs/dbraw/zinc/62/01/82/348620182.db2.gz CVHYAMNQIFBHOX-SNVBAGLBSA-N -1 3 286.306 3.080 20 0 CGADHM CSc1ccc([O-])c(C(=O)N2CCC(C)=C(C)C2)c1 ZINC000614345480 348668636 /nfs/dbraw/zinc/66/86/36/348668636.db2.gz IVFOLALZEPIVCS-UHFFFAOYSA-N -1 3 277.389 3.296 20 0 CGADHM O=C(CC1=CCCCC1)NCc1ccc([O-])c2ncccc12 ZINC000616025765 348782208 /nfs/dbraw/zinc/78/22/08/348782208.db2.gz UACPXEYINBWLPM-UHFFFAOYSA-N -1 3 296.370 3.447 20 0 CGADHM CCC(C)(CC)C(=O)NCc1ccc([O-])c2ncccc12 ZINC000616023195 348782461 /nfs/dbraw/zinc/78/24/61/348782461.db2.gz NYBUWHKRSQMCFI-UHFFFAOYSA-N -1 3 286.375 3.383 20 0 CGADHM CC(=O)[C@@H]1CCCCN1C(=O)c1ccc(C(C)C)cc1[O-] ZINC000615575462 348749046 /nfs/dbraw/zinc/74/90/46/348749046.db2.gz KCVIHFYZGCXOOH-HNNXBMFYSA-N -1 3 289.375 3.099 20 0 CGADHM Cc1ccc([O-])c(C(=O)N(C)Cc2c(F)cccc2F)c1 ZINC000358353734 233115458 /nfs/dbraw/zinc/11/54/58/233115458.db2.gz SAJFMPOMGWQMGF-UHFFFAOYSA-N -1 3 291.297 3.251 20 0 CGADHM CCCCc1cc(NC(=O)c2ccc([O-])c(C)c2)n[nH]1 ZINC000616801109 348878450 /nfs/dbraw/zinc/87/84/50/348878450.db2.gz DKXNQBGEFAQIQW-UHFFFAOYSA-N -1 3 273.336 3.019 20 0 CGADHM Cc1cc(C)n([C@@H](C)C(=O)Nc2ccc([O-])cc2Cl)n1 ZINC000616941668 348884792 /nfs/dbraw/zinc/88/47/92/348884792.db2.gz AWXGYCHGGFCHGF-JTQLQIEISA-N -1 3 293.754 3.059 20 0 CGADHM CC1=C(C(=O)Nc2ccc([O-])cc2Cl)CCC1 ZINC000616940846 348884848 /nfs/dbraw/zinc/88/48/48/348884848.db2.gz HNCBQTNUPVLVIC-UHFFFAOYSA-N -1 3 251.713 3.485 20 0 CGADHM COCCC(C)(C)C(=O)Nc1ccc([O-])cc1Cl ZINC000616941129 348884918 /nfs/dbraw/zinc/88/49/18/348884918.db2.gz SCDZKKVHIJKKFX-UHFFFAOYSA-N -1 3 271.744 3.047 20 0 CGADHM C[C@@H](C(=O)Nc1ccc([O-])cc1Cl)N1[C@H](C)CC[C@@H]1C ZINC000616941787 348885671 /nfs/dbraw/zinc/88/56/71/348885671.db2.gz FSWUUXSEVZCOTL-AXFHLTTASA-N -1 3 296.798 3.245 20 0 CGADHM Cc1noc(C)c1CCC(=O)Nc1ccc([O-])cc1Cl ZINC000616942797 348885961 /nfs/dbraw/zinc/88/59/61/348885961.db2.gz DBIFPEVOWJXVNV-UHFFFAOYSA-N -1 3 294.738 3.222 20 0 CGADHM O=C(COCC1CCCC1)Nc1ccc([O-])cc1Cl ZINC000616943089 348885969 /nfs/dbraw/zinc/88/59/69/348885969.db2.gz OHWAYQPMWDMGIS-UHFFFAOYSA-N -1 3 283.755 3.191 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-]CC[C@@H]2CCC[C@H](C)C2)o1 ZINC000358426033 233130897 /nfs/dbraw/zinc/13/08/97/233130897.db2.gz MKKYSCCYYNODIS-AAEUAGOBSA-N -1 3 285.409 3.083 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-]CC[C@H]2CCCC[C@@H]2C)o1 ZINC000358424983 233131227 /nfs/dbraw/zinc/13/12/27/233131227.db2.gz HJAVLTPSPVYNPX-WCQYABFASA-N -1 3 285.409 3.083 20 0 CGADHM [O-]c1cc(F)cc(CNc2ccc(C3CCC3)cn2)c1 ZINC000339559707 215243379 /nfs/dbraw/zinc/24/33/79/215243379.db2.gz BJHZCUVQFYRSGW-UHFFFAOYSA-N -1 3 272.323 3.228 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)C(C)C)o1 ZINC000358466446 233137410 /nfs/dbraw/zinc/13/74/10/233137410.db2.gz XDERMMANWSVTQQ-HNNXBMFYSA-N -1 3 293.388 3.264 20 0 CGADHM Cc1cc(C)c(-c2cc(=NC(=O)[C@@H]3C[C@@H]3C)[nH][n-]2)cc1C ZINC000617357407 348951787 /nfs/dbraw/zinc/95/17/87/348951787.db2.gz OBYNGUJKYJZANC-GXTWGEPZSA-N -1 3 283.375 3.018 20 0 CGADHM Cc1ccn2c(C=Cc3cc(=O)[n-]c(C4CC4)n3)cnc2c1 ZINC000352008233 219286806 /nfs/dbraw/zinc/28/68/06/219286806.db2.gz OBRORFZKSISPLT-SNAWJCMRSA-N -1 3 292.342 3.186 20 0 CGADHM O=C(c1cccc2[n-]nnc21)N1CCCC2(CCCC2)CC1 ZINC000617564603 348970075 /nfs/dbraw/zinc/97/00/75/348970075.db2.gz YDJAYUOABNRJSF-UHFFFAOYSA-N -1 3 298.390 3.144 20 0 CGADHM O=C(c1cccc2nn[n-]c21)N1CCCC2(CCCC2)CC1 ZINC000617564603 348970077 /nfs/dbraw/zinc/97/00/77/348970077.db2.gz YDJAYUOABNRJSF-UHFFFAOYSA-N -1 3 298.390 3.144 20 0 CGADHM O=C(c1cccc2n[n-]nc21)N1CCCC2(CCCC2)CC1 ZINC000617564603 348970078 /nfs/dbraw/zinc/97/00/78/348970078.db2.gz YDJAYUOABNRJSF-UHFFFAOYSA-N -1 3 298.390 3.144 20 0 CGADHM O=c1cc(C=Cc2ccc(F)cc2)nc(-c2ccncc2)[n-]1 ZINC000352009361 219288876 /nfs/dbraw/zinc/28/88/76/219288876.db2.gz WJFDPYYIFXYXBB-ZZXKWVIFSA-N -1 3 293.301 3.141 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2sccc2Br)n1 ZINC000352026560 219292694 /nfs/dbraw/zinc/29/26/94/219292694.db2.gz KUJQOMOINWIIKL-IHWYPQMZSA-N -1 3 297.177 3.485 20 0 CGADHM Cc1ccc2nc(C=Cc3cc(=O)[n-]c(C4CC4)n3)cn2c1 ZINC000352020825 219292247 /nfs/dbraw/zinc/29/22/47/219292247.db2.gz LEWMBRZNTZCPJC-WAYWQWQTSA-N -1 3 292.342 3.186 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2ncc(C(F)(F)F)s2)n1 ZINC000352035380 219297436 /nfs/dbraw/zinc/29/74/36/219297436.db2.gz PYTXHKQYEOXCQU-NSCUHMNNSA-N -1 3 287.266 3.136 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2cccc(OC(F)F)c2)n1 ZINC000352035064 219297818 /nfs/dbraw/zinc/29/78/18/219297818.db2.gz LQOQABACIHSKCW-AATRIKPKSA-N -1 3 278.258 3.262 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2sccc2Cl)n1 ZINC000352035891 219298033 /nfs/dbraw/zinc/29/80/33/219298033.db2.gz URUGUFCSVSQDRT-IHWYPQMZSA-N -1 3 252.726 3.376 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2ccc(Cl)cc2F)n1 ZINC000352039410 219298887 /nfs/dbraw/zinc/29/88/87/219298887.db2.gz FZCVQEVWFRHXPA-HYXAFXHYSA-N -1 3 264.687 3.454 20 0 CGADHM COc1ccc(C(=O)N2CCC[C@H](C3CCC3)C2)c([O-])c1 ZINC000620213792 349341385 /nfs/dbraw/zinc/34/13/85/349341385.db2.gz GDZWCUZMNVAWDK-ZDUSSCGKSA-N -1 3 289.375 3.053 20 0 CGADHM O=C(NCC1=CCCC1)c1cc([O-])ccc1C(F)(F)F ZINC000620007887 349307067 /nfs/dbraw/zinc/30/70/67/349307067.db2.gz DYBSJSZRRMXVIJ-UHFFFAOYSA-N -1 3 285.265 3.251 20 0 CGADHM CCO[C@H]1CCCN(Cc2cc([O-])ccc2Cl)C1 ZINC000625180793 350137568 /nfs/dbraw/zinc/13/75/68/350137568.db2.gz QVXCXTYYEAELGN-ZDUSSCGKSA-N -1 3 269.772 3.047 20 0 CGADHM C[C@H]1CSCCN(Cc2cc([O-])ccc2Cl)C1 ZINC000625371688 350164837 /nfs/dbraw/zinc/16/48/37/350164837.db2.gz AXTSNNNUIXWQET-SNVBAGLBSA-N -1 3 271.813 3.231 20 0 CGADHM CCN(Cc1cc([O-])ccc1Cl)[C@H]1CCCOC1 ZINC000625513203 350179317 /nfs/dbraw/zinc/17/93/17/350179317.db2.gz XMOGHMXSJNUHCQ-LBPRGKRZSA-N -1 3 269.772 3.047 20 0 CGADHM CCCCn1ncc(NC(=O)c2c(C)cccc2[O-])c1C ZINC000626217635 350284880 /nfs/dbraw/zinc/28/48/80/350284880.db2.gz YFLQUCQGGOJKTL-UHFFFAOYSA-N -1 3 287.363 3.258 20 0 CGADHM COCCC1(CNC(=O)c2c(C)cccc2[O-])CCCC1 ZINC000626106679 350261761 /nfs/dbraw/zinc/26/17/61/350261761.db2.gz ZSRGKJRVNOAXDU-UHFFFAOYSA-N -1 3 291.391 3.027 20 0 CGADHM Cc1cccc([O-])c1C(=O)NCCCc1cccs1 ZINC000626335010 350296002 /nfs/dbraw/zinc/29/60/02/350296002.db2.gz ALRZKNBMIAEUKQ-UHFFFAOYSA-N -1 3 275.373 3.125 20 0 CGADHM C[C@H]1CCN(C(=O)C23CC(C2)C3)c2c([O-])cccc21 ZINC000626482351 350312552 /nfs/dbraw/zinc/31/25/52/350312552.db2.gz QJNZBMNROKSGPS-SGWRBKMISA-N -1 3 257.333 3.033 20 0 CGADHM CCc1noc(C)c1[N-]C(=O)c1coc(C(F)F)c1 ZINC000626264592 350289525 /nfs/dbraw/zinc/28/95/25/350289525.db2.gz FZHCFHMWCXLDJI-UHFFFAOYSA-N -1 3 270.235 3.328 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1C[C@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 ZINC000627691864 350375679 /nfs/dbraw/zinc/37/56/79/350375679.db2.gz QWRWZHMTMCYZHM-KHSSZTOVSA-N -1 3 285.387 3.209 20 0 CGADHM Cc1cccc([O-])c1C(=O)NC1(C2CCC2)CCC1 ZINC000627723615 350378394 /nfs/dbraw/zinc/37/83/94/350378394.db2.gz TZPLOULCFXRCNF-UHFFFAOYSA-N -1 3 259.349 3.153 20 0 CGADHM CCCC[C@H](CC)CCCN(C)C(=O)c1cc(=O)[n-]cn1 ZINC000628169237 350420352 /nfs/dbraw/zinc/42/03/52/350420352.db2.gz VTUTWLQAMISXON-ZDUSSCGKSA-N -1 3 293.411 3.251 20 0 CGADHM CC(C)c1ccc(C(=O)N2Cc3ccc(O)cc3C2)c([O-])c1 ZINC000628537312 350570050 /nfs/dbraw/zinc/57/00/50/350570050.db2.gz XCGUFDLUXMWQOV-UHFFFAOYSA-N -1 3 297.354 3.377 20 0 CGADHM Cc1cccc([O-])c1C(=O)N[C@@H](c1ccccn1)C1CCC1 ZINC000628666214 350586713 /nfs/dbraw/zinc/58/67/13/350586713.db2.gz MNFXWTZQWWSJAM-QGZVFWFLSA-N -1 3 296.370 3.367 20 0 CGADHM C[C@@H]1CN(Cc2ccccc2C(=O)[O-])C[C@H](C)C1(F)F ZINC000629363606 350678234 /nfs/dbraw/zinc/67/82/34/350678234.db2.gz GIPLPZJXZYBRQN-PHIMTYICSA-N -1 3 283.318 3.108 20 0 CGADHM C[C@@H]1CN([C@H](C(=O)[O-])c2ccsc2)C[C@H](C)C1(F)F ZINC000629364898 350679123 /nfs/dbraw/zinc/67/91/23/350679123.db2.gz QZAZGQFIVLODIB-NGZCFLSTSA-N -1 3 289.347 3.097 20 0 CGADHM C[C@H](CCC(=O)[O-])CNCc1c(F)ccc(F)c1Cl ZINC000630451130 350841786 /nfs/dbraw/zinc/84/17/86/350841786.db2.gz IQIYLBHTMDZBSG-MRVPVSSYSA-N -1 3 291.725 3.209 20 0 CGADHM C[C@H](NC[C@@H]1CCCC[C@@H]1C)c1nc(C(=O)[O-])cs1 ZINC000630465314 350844679 /nfs/dbraw/zinc/84/46/79/350844679.db2.gz SEPVOPUJSJITOP-DCAQKATOSA-N -1 3 282.409 3.318 20 0 CGADHM CCCn1c(=O)[n-]nc1SCc1c(C)cc(C)nc1C ZINC000631004910 350921065 /nfs/dbraw/zinc/92/10/65/350921065.db2.gz YBUUIWUKXWIEDW-UHFFFAOYSA-N -1 3 292.408 3.006 20 0 CGADHM CCc1noc(C)c1[N-]C(=O)c1ccc(C)c(F)c1F ZINC000632108777 351167774 /nfs/dbraw/zinc/16/77/74/351167774.db2.gz VJRSVZMESNFXEG-UHFFFAOYSA-N -1 3 280.274 3.384 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)[C@@H]2C[C@H](C)O[C@H]2C)c1[O-] ZINC000632147090 351172890 /nfs/dbraw/zinc/17/28/90/351172890.db2.gz BHJMTJXWFDHWGF-ATZCPNFKSA-N -1 3 283.755 3.106 20 0 CGADHM CC(C)(C)c1ccc(NC(=O)CCC2(O)CCC2)c([O-])c1 ZINC000632885940 351227290 /nfs/dbraw/zinc/22/72/90/351227290.db2.gz CYEHJKCDMCWKMK-UHFFFAOYSA-N -1 3 291.391 3.323 20 0 CGADHM CC(C)(C)c1ccc(NC(=O)C2CCC(=O)CC2)c([O-])c1 ZINC000336513741 213391854 /nfs/dbraw/zinc/39/18/54/213391854.db2.gz KJAFYXHAFCKODJ-UHFFFAOYSA-N -1 3 289.375 3.388 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)CC2CCOCC2)c1[O-] ZINC000117415429 186750333 /nfs/dbraw/zinc/75/03/33/186750333.db2.gz FVFZYIVVSGSANK-UHFFFAOYSA-N -1 3 283.755 3.109 20 0 CGADHM CC(C)c1cc([N-]C(=O)c2snnc2C(C)(C)C)on1 ZINC000633906454 351395625 /nfs/dbraw/zinc/39/56/25/351395625.db2.gz ZHGMOHJPOFFMTK-UHFFFAOYSA-N -1 3 294.380 3.199 20 0 CGADHM CC1(F)CCN(C(=O)c2cc3c(cc2[O-])CCCC3)CC1 ZINC000634359809 351475357 /nfs/dbraw/zinc/47/53/57/351475357.db2.gz MOLTUHCOVTZGSO-UHFFFAOYSA-N -1 3 291.366 3.235 20 0 CGADHM CCc1c(=O)n(C[C@@H]2CCSC2)[n-]c1-c1ccccc1 ZINC000634628644 351551911 /nfs/dbraw/zinc/55/19/11/351551911.db2.gz CDYUMXZTCASBTH-GXTWGEPZSA-N -1 3 288.416 3.012 20 0 CGADHM C[C@H]1CCc2[n-]n(Cc3cccc(C(F)(F)F)c3)c(=O)c21 ZINC000634591082 351527671 /nfs/dbraw/zinc/52/76/71/351527671.db2.gz SIUDZWAFXFNPFQ-ZANVPECISA-N -1 3 296.292 3.450 20 0 CGADHM Cc1cccc(C(=O)N2CC[C@H](C(F)(F)F)[C@H]2C)c1[O-] ZINC000336506988 213382075 /nfs/dbraw/zinc/38/20/75/213382075.db2.gz YLHLGTSYXNXVPH-KOLCDFICSA-N -1 3 287.281 3.114 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])[C@H]1CCN1C1CCCC1 ZINC000635721260 351685813 /nfs/dbraw/zinc/68/58/13/351685813.db2.gz IVKLCYUJJDLVAL-CYBMUJFWSA-N -1 3 294.782 3.001 20 0 CGADHM O=C(Nc1ccc([O-])c(Cl)c1)[C@H]1CCN1C1CCCC1 ZINC000635720677 351685958 /nfs/dbraw/zinc/68/59/58/351685958.db2.gz BQSUZPAMIQHNSK-CYBMUJFWSA-N -1 3 294.782 3.001 20 0 CGADHM CCCC[C@H](CC)C(=O)NC(C)(C)c1nc(C)cc(=O)[n-]1 ZINC000636115769 351723188 /nfs/dbraw/zinc/72/31/88/351723188.db2.gz ULBBYQXOQUZBSX-LBPRGKRZSA-N -1 3 293.411 3.058 20 0 CGADHM CCN(C(=O)c1ccc(C)cc1[O-])[C@@H]1CCOC(C)(C)C1 ZINC000291734552 198074198 /nfs/dbraw/zinc/07/41/98/198074198.db2.gz XEPFHMBANAIBIF-CYBMUJFWSA-N -1 3 291.391 3.120 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)Nc1ccc(OC)c(Cl)c1 ZINC000291964646 198118712 /nfs/dbraw/zinc/11/87/12/198118712.db2.gz WXQXHQRZPWRTKA-SECBINFHSA-N -1 3 286.759 3.448 20 0 CGADHM C[C@@H](CCC(=O)[N-]OCc1cccnc1)c1ccccc1 ZINC000132499807 187631098 /nfs/dbraw/zinc/63/10/98/187631098.db2.gz GXDKFUCASQILDQ-AWEZNQCLSA-N -1 3 284.359 3.213 20 0 CGADHM Cc1cc(C(=O)N2CC3(CCC3)[C@@H]2C2CC2)ccc1[O-] ZINC000292137318 198178577 /nfs/dbraw/zinc/17/85/77/198178577.db2.gz TWZFTQWQNRCLAZ-HNNXBMFYSA-N -1 3 271.360 3.105 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)[C@H]1C[C@H]1c1sccc1C ZINC000292231454 198211388 /nfs/dbraw/zinc/21/13/88/198211388.db2.gz PPDAANCJZBOLIE-WCQGTBRESA-N -1 3 267.394 3.254 20 0 CGADHM Cc1ccc(NC(=O)c2ccc(C(C)C)nc2)c([O-])c1 ZINC000153057941 188062748 /nfs/dbraw/zinc/06/27/48/188062748.db2.gz VSKSYFLVOZPVQK-UHFFFAOYSA-N -1 3 270.332 3.471 20 0 CGADHM CCCCSCCC(=O)NCc1ccc([O-])c(F)c1 ZINC000155276210 188195309 /nfs/dbraw/zinc/19/53/09/188195309.db2.gz YYCLBXGCBRSWPX-UHFFFAOYSA-N -1 3 285.384 3.071 20 0 CGADHM Fc1ccc2c(c1)[C@@H]([N-]c1nnc(C(F)F)o1)CCO2 ZINC000292435152 198286682 /nfs/dbraw/zinc/28/66/82/198286682.db2.gz GZQPLYDBTMHJDR-QMMMGPOBSA-N -1 3 285.225 3.082 20 0 CGADHM Fc1cccc2c1CC[C@@H]2[N-]c1nnc(C(F)F)o1 ZINC000292468219 198299497 /nfs/dbraw/zinc/29/94/97/198299497.db2.gz KSAVDJUIEJMDKB-VIFPVBQESA-N -1 3 269.226 3.246 20 0 CGADHM CC(=O)[C@H](C)CCCCC(=O)Nc1cc(F)ccc1[O-] ZINC000155724152 188224377 /nfs/dbraw/zinc/22/43/77/188224377.db2.gz AJOKUHBNXKVEHH-SNVBAGLBSA-N -1 3 281.327 3.255 20 0 CGADHM CCCOc1cc(F)ccc1NC([O-])=NOCC1CC1 ZINC000292598595 198346091 /nfs/dbraw/zinc/34/60/91/198346091.db2.gz DMSBGFWBBCPVTE-UHFFFAOYSA-N -1 3 282.315 3.078 20 0 CGADHM CCCOc1cc(F)ccc1NC(=O)[N-]OCC1CC1 ZINC000292598595 198346093 /nfs/dbraw/zinc/34/60/93/198346093.db2.gz DMSBGFWBBCPVTE-UHFFFAOYSA-N -1 3 282.315 3.078 20 0 CGADHM Cc1cccc(NC([O-])=NOCCC(F)(F)F)c1F ZINC000157734960 188335801 /nfs/dbraw/zinc/33/58/01/188335801.db2.gz PNGXNQQWJFLURS-UHFFFAOYSA-N -1 3 280.221 3.140 20 0 CGADHM Cc1cccc(NC(=O)[N-]OCCC(F)(F)F)c1F ZINC000157734960 188335803 /nfs/dbraw/zinc/33/58/03/188335803.db2.gz PNGXNQQWJFLURS-UHFFFAOYSA-N -1 3 280.221 3.140 20 0 CGADHM O=C([N-]OCC1CC1)Nc1ccc2nc(C3CC3)oc2c1 ZINC000292580716 198340118 /nfs/dbraw/zinc/34/01/18/198340118.db2.gz CIYFUWMDGNWUPF-UHFFFAOYSA-N -1 3 287.319 3.168 20 0 CGADHM Cc1ccc(NC(=O)c2cncc(C(F)(F)F)c2)c([O-])c1 ZINC000336393133 213249762 /nfs/dbraw/zinc/24/97/62/213249762.db2.gz CZMCDEJVOKFCOE-UHFFFAOYSA-N -1 3 296.248 3.367 20 0 CGADHM COc1ccc([O-])c(C(=O)N(C)[C@@H]2CCC[C@H](C)C2)c1 ZINC000055464167 137923603 /nfs/dbraw/zinc/92/36/03/137923603.db2.gz NZQYLRFEGXQPSU-NWDGAFQWSA-N -1 3 277.364 3.052 20 0 CGADHM CCc1nc(C)c(C(=O)Nc2cc(Cl)cc(C)c2[O-])o1 ZINC000293459906 198644838 /nfs/dbraw/zinc/64/48/38/198644838.db2.gz NILGTUZDFBJIEL-UHFFFAOYSA-N -1 3 294.738 3.465 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)NC[C@H]1CCC[C@H]1C1CC1 ZINC000412479386 235175566 /nfs/dbraw/zinc/17/55/66/235175566.db2.gz RHYZOTCOLOAEBR-KGLIPLIRSA-N -1 3 291.366 3.016 20 0 CGADHM O=c1cc(CSc2ccccc2F)nc(C2CC2)[n-]1 ZINC000412983451 235234310 /nfs/dbraw/zinc/23/43/10/235234310.db2.gz NLQOZLHTLLURQG-UHFFFAOYSA-N -1 3 276.336 3.491 20 0 CGADHM COCc1cccc(C=Cc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000414060955 235325566 /nfs/dbraw/zinc/32/55/66/235325566.db2.gz AJNZJGKAUBUTED-VMPITWQZSA-N -1 3 282.343 3.376 20 0 CGADHM Cc1ccc([O-])c(CN(C)Cc2cc3ccccc3o2)n1 ZINC000093689140 138348213 /nfs/dbraw/zinc/34/82/13/138348213.db2.gz JXINGULXDFBXGG-UHFFFAOYSA-N -1 3 282.343 3.474 20 0 CGADHM COCc1ccc(C(=O)Nc2cc(Cl)ccc2[O-])o1 ZINC000107348806 138357785 /nfs/dbraw/zinc/35/77/85/138357785.db2.gz KKYSLIMKLQOOCI-UHFFFAOYSA-N -1 3 281.695 3.037 20 0 CGADHM CSC1(C(=O)Nc2cc(Cl)ccc2[O-])CCC1 ZINC000336309362 213152410 /nfs/dbraw/zinc/15/24/10/213152410.db2.gz MYJXTHFXCXBECL-UHFFFAOYSA-N -1 3 271.769 3.270 20 0 CGADHM N[C@@H](CC1CCCCC1)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000423710819 236102012 /nfs/dbraw/zinc/10/20/12/236102012.db2.gz LKTSUBKCAMXREO-LBPRGKRZSA-N -1 3 296.798 3.282 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)[C@@]2(C)C[C@H]2F)c1[O-] ZINC000424754689 236187353 /nfs/dbraw/zinc/18/73/53/236187353.db2.gz QOXGLLCXNRHCEF-SKDRFNHKSA-N -1 3 257.692 3.041 20 0 CGADHM Cc1cc(C)cc([C@H](NCc2cccc(F)c2)C(=O)[O-])c1 ZINC000426744223 236310375 /nfs/dbraw/zinc/31/03/75/236310375.db2.gz CGGYKBHHIDUZPF-INIZCTEOSA-N -1 3 287.334 3.358 20 0 CGADHM O=C([O-])[C@@H](NCc1coc2ccccc12)c1ccc(F)cc1 ZINC000426765041 236312956 /nfs/dbraw/zinc/31/29/56/236312956.db2.gz BLHLBVFKSKIKPF-INIZCTEOSA-N -1 3 299.301 3.487 20 0 CGADHM CO[C@H]1CCN(Cc2cccc([O-])c2Cl)[C@@H](C)C1 ZINC000294694068 199137668 /nfs/dbraw/zinc/13/76/68/199137668.db2.gz NRTVKASXFPRPIK-JQWIXIFHSA-N -1 3 269.772 3.045 20 0 CGADHM O=C(Nc1cccc([O-])c1F)[C@@H]1CC12CCSCC2 ZINC000336185882 213004831 /nfs/dbraw/zinc/00/48/31/213004831.db2.gz BPKNKFCTLKWSHL-VIFPVBQESA-N -1 3 281.352 3.003 20 0 CGADHM Cc1cccc([O-])c1NC(=O)c1cc2c([nH]1)CCCC2 ZINC000294920646 199249634 /nfs/dbraw/zinc/24/96/34/199249634.db2.gz JVXKGRMARLLGOE-UHFFFAOYSA-N -1 3 270.332 3.160 20 0 CGADHM O=C(Nc1ccc(-c2ccc[nH]2)cc1)c1c([O-])cccc1O ZINC000436650544 237154636 /nfs/dbraw/zinc/15/46/36/237154636.db2.gz RVUHCPKGURMKJX-UHFFFAOYSA-N -1 3 294.310 3.345 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2Cc3ccccc3[C@@H]2C)c1 ZINC000436580327 237136192 /nfs/dbraw/zinc/13/61/92/237136192.db2.gz BJJRVHARWPOOFN-LBPRGKRZSA-N -1 3 267.328 3.418 20 0 CGADHM COc1cccc2c1CC[C@H]2NC(=O)c1cccc(C)c1[O-] ZINC000436582753 237137903 /nfs/dbraw/zinc/13/79/03/237137903.db2.gz BQLKKUGYJFZNLX-OAHLLOKOSA-N -1 3 297.354 3.127 20 0 CGADHM Cc1ccc(C(=O)N[C@@H]2CCCC(F)(F)C2)c([O-])c1 ZINC000436600234 237141805 /nfs/dbraw/zinc/14/18/05/237141805.db2.gz DUYNRQGARMZKSN-SNVBAGLBSA-N -1 3 269.291 3.008 20 0 CGADHM Cc1ccc(C(=O)NCc2cc(F)ccc2F)c([O-])c1C ZINC000436671030 237158482 /nfs/dbraw/zinc/15/84/82/237158482.db2.gz IRGMORAZBJIXNN-UHFFFAOYSA-N -1 3 291.297 3.217 20 0 CGADHM O=C(NCC1CC(c2ccccc2)C1)c1ccccc1[O-] ZINC000436696110 237161823 /nfs/dbraw/zinc/16/18/23/237161823.db2.gz GKCMSKAOHWDWDE-UHFFFAOYSA-N -1 3 281.355 3.316 20 0 CGADHM Cc1ccc(C(=O)N2CC[C@@]3(CC[C@H](C)C3)C2)c([O-])c1 ZINC000436708836 237161852 /nfs/dbraw/zinc/16/18/52/237161852.db2.gz YQJNTNPEHDPTIJ-SUMWQHHRSA-N -1 3 273.376 3.353 20 0 CGADHM Cc1cccc(C)c1[C@H](C)NC(=O)c1c([O-])cccc1O ZINC000436992893 237227068 /nfs/dbraw/zinc/22/70/68/237227068.db2.gz XLIRKZSFWHKQKY-LBPRGKRZSA-N -1 3 285.343 3.206 20 0 CGADHM Cc1cc(C(=O)N[C@H](C)Cc2ccccc2F)ccc1[O-] ZINC000436894665 237204075 /nfs/dbraw/zinc/20/40/75/237204075.db2.gz FYSNFHGISCRZOR-GFCCVEGCSA-N -1 3 287.334 3.201 20 0 CGADHM Cc1cc(C(=O)N[C@@H](C)c2c(F)cccc2F)ccc1[O-] ZINC000436925334 237211715 /nfs/dbraw/zinc/21/17/15/237211715.db2.gz ZJAAAQBWDOKNII-JTQLQIEISA-N -1 3 291.297 3.470 20 0 CGADHM CC(C)ON=C([O-])Nc1ccccc1CC(F)(F)F ZINC000297083116 200080255 /nfs/dbraw/zinc/08/02/55/200080255.db2.gz XBKGAVSRLBPNRD-UHFFFAOYSA-N -1 3 276.258 3.253 20 0 CGADHM CC(C)O[N-]C(=O)Nc1ccccc1CC(F)(F)F ZINC000297083116 200080256 /nfs/dbraw/zinc/08/02/56/200080256.db2.gz XBKGAVSRLBPNRD-UHFFFAOYSA-N -1 3 276.258 3.253 20 0 CGADHM Cc1cc(S(=O)(=O)[N-]CCCC(C)(F)F)sc1C ZINC000297107976 200086310 /nfs/dbraw/zinc/08/63/10/200086310.db2.gz OWMPJKYWXGBCDA-UHFFFAOYSA-N -1 3 297.392 3.079 20 0 CGADHM [O-]C(=NOCC1CC1)Nc1ccc(Oc2ccccc2)cn1 ZINC000297206519 200114538 /nfs/dbraw/zinc/11/45/38/200114538.db2.gz OMBLWNZZQMFPLB-UHFFFAOYSA-N -1 3 299.330 3.337 20 0 CGADHM O=C([N-]OCC1CC1)Nc1ccc(Oc2ccccc2)cn1 ZINC000297206519 200114540 /nfs/dbraw/zinc/11/45/40/200114540.db2.gz OMBLWNZZQMFPLB-UHFFFAOYSA-N -1 3 299.330 3.337 20 0 CGADHM COc1ncc(C(=O)Nc2ccc(C)cc2[O-])cc1Cl ZINC000341680930 216064705 /nfs/dbraw/zinc/06/47/05/216064705.db2.gz AKGGFBMZTLQPIT-UHFFFAOYSA-N -1 3 292.722 3.010 20 0 CGADHM O=C(c1cccc([O-])c1)N1CCc2cc(Cl)ccc21 ZINC000341700878 216071811 /nfs/dbraw/zinc/07/18/11/216071811.db2.gz UGMINSIJFNNTSA-UHFFFAOYSA-N -1 3 273.719 3.249 20 0 CGADHM CCOc1cc(CN(C)Cc2ccon2)cc(Cl)c1[O-] ZINC000297913691 200303864 /nfs/dbraw/zinc/30/38/64/200303864.db2.gz SOACPHFJXAQDSA-UHFFFAOYSA-N -1 3 296.754 3.064 20 0 CGADHM O=C(C[C@@H]1CCCc2ccccc21)Nc1ncccc1[O-] ZINC000342053012 216201731 /nfs/dbraw/zinc/20/17/31/216201731.db2.gz HIERUKYIGMYVNU-ZDUSSCGKSA-N -1 3 282.343 3.236 20 0 CGADHM CCCCCc1nnc([N-]C(=O)c2ccc(F)cn2)s1 ZINC000181488126 189297616 /nfs/dbraw/zinc/29/76/16/189297616.db2.gz TUZWHWGMDCMQNP-UHFFFAOYSA-N -1 3 294.355 3.057 20 0 CGADHM C[C@@H](C(=O)Nc1ccc([O-])cc1F)c1ccccc1 ZINC000119419716 370675318 /nfs/dbraw/zinc/67/53/18/370675318.db2.gz KDKNTVATESBKKO-SNVBAGLBSA-N -1 3 259.280 3.274 20 0 CGADHM C[C@H](C(=O)Nc1ccc([O-])cc1F)c1ccccc1 ZINC000119419602 370675341 /nfs/dbraw/zinc/67/53/41/370675341.db2.gz KDKNTVATESBKKO-JTQLQIEISA-N -1 3 259.280 3.274 20 0 CGADHM CCC(CC)c1cc(CNC(=O)c2cccc([O-])c2)on1 ZINC000182508215 189325832 /nfs/dbraw/zinc/32/58/32/189325832.db2.gz DBOPNEHUOQZNDG-UHFFFAOYSA-N -1 3 288.347 3.214 20 0 CGADHM CCS[C@@H]1CCCC[C@@H]1NC(=O)c1cccc([O-])c1 ZINC000182567915 189327628 /nfs/dbraw/zinc/32/76/28/189327628.db2.gz LIZMHCZJASYZSP-UONOGXRCSA-N -1 3 279.405 3.186 20 0 CGADHM CCn1c(C)cc(C(=O)Nc2c(C)cccc2[O-])c1C ZINC000183024282 189342616 /nfs/dbraw/zinc/34/26/16/189342616.db2.gz RCPZDZMGPRMXQO-UHFFFAOYSA-N -1 3 272.348 3.391 20 0 CGADHM CC(C)(C)c1ccc(NC(=O)[C@@H]2CC2(F)F)c([O-])c1 ZINC000451479044 240310800 /nfs/dbraw/zinc/31/08/00/240310800.db2.gz LOVJZOGLAVKPRG-VIFPVBQESA-N -1 3 269.291 3.283 20 0 CGADHM CC(C)N(Cc1ccco1)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459328853 242072461 /nfs/dbraw/zinc/07/24/61/242072461.db2.gz PBVOTMGGEXGXNR-UHFFFAOYSA-N -1 3 287.363 3.063 20 0 CGADHM CCN(CC(C)(C)C)C(=O)Cc1ccc([O-])cc1Cl ZINC000463001008 242378736 /nfs/dbraw/zinc/37/87/36/242378736.db2.gz FJFJJJSHRCXEPV-UHFFFAOYSA-N -1 3 283.799 3.483 20 0 CGADHM C[C@@H]1C(=O)CC[C@@H](C(=O)Nc2cc(F)ccc2[O-])C1(C)C ZINC000275910502 193160633 /nfs/dbraw/zinc/16/06/33/193160633.db2.gz DNCRFYKLSZLUMO-KOLCDFICSA-N -1 3 293.338 3.111 20 0 CGADHM Cc1cc(C)cc(-c2cc(=NC(=O)[C@H](C)C3CC3)[nH][n-]2)c1 ZINC000477575638 243049984 /nfs/dbraw/zinc/04/99/84/243049984.db2.gz FBJPLVAKTLIWEY-GFCCVEGCSA-N -1 3 283.375 3.100 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2ccc(OC(F)F)c(F)c2)n1 ZINC000486200481 243355045 /nfs/dbraw/zinc/35/50/45/243355045.db2.gz WUNISFQXALWIOY-HYXAFXHYSA-N -1 3 296.248 3.402 20 0 CGADHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)cc1 ZINC000016101176 368707024 /nfs/dbraw/zinc/70/70/24/368707024.db2.gz LPUIPNGODJJIAB-UHFFFAOYSA-N -1 3 287.384 3.285 20 0 CGADHM CCCCCc1nnc([N-]C(=O)c2c(C)noc2C)s1 ZINC000014714095 368684482 /nfs/dbraw/zinc/68/44/82/368684482.db2.gz OPEDMSJCXMODNO-UHFFFAOYSA-N -1 3 294.380 3.128 20 0 CGADHM COc1ccc(C)cc1NC(=O)c1cccc(C)c1[O-] ZINC000019838671 368770288 /nfs/dbraw/zinc/77/02/88/368770288.db2.gz YHNSETJCPYBHQN-UHFFFAOYSA-N -1 3 271.316 3.270 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2ccc(F)cc2F)c1 ZINC000019839791 368771583 /nfs/dbraw/zinc/77/15/83/368771583.db2.gz GMQROTOLKZEFDG-UHFFFAOYSA-N -1 3 263.243 3.231 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2cc(F)ccc2C)c1 ZINC000019839823 368771967 /nfs/dbraw/zinc/77/19/67/368771967.db2.gz SZWVYPWIICWDPG-UHFFFAOYSA-N -1 3 259.280 3.400 20 0 CGADHM Cc1c(Cl)cccc1NC(=O)c1ccc2n[n-]nc2c1 ZINC000029107813 368891743 /nfs/dbraw/zinc/89/17/43/368891743.db2.gz DTAWCOJVTJRHCH-UHFFFAOYSA-N -1 3 286.722 3.172 20 0 CGADHM CCC[C@@H](NCc1c(Cl)cccc1Cl)C(=O)[O-] ZINC000036839649 369031212 /nfs/dbraw/zinc/03/12/12/369031212.db2.gz FASAJSQBXBWBKB-LLVKDONJSA-N -1 3 276.163 3.336 20 0 CGADHM O=C(/C=C/c1ccc[nH]1)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000492801008 244027492 /nfs/dbraw/zinc/02/74/92/244027492.db2.gz BAHJYCYBCCPGIW-GQCTYLIASA-N -1 3 296.248 3.391 20 0 CGADHM O=C(/C=C/c1cncc([O-])c1)Nc1ccc2ccoc2c1 ZINC000493342602 244145092 /nfs/dbraw/zinc/14/50/92/244145092.db2.gz YLZYZJJKZATDDE-DAFODLJHSA-N -1 3 280.283 3.185 20 0 CGADHM Cc1ccc(/C=C/C(=O)[N-]O[C@H](C)c2ccccc2)nc1 ZINC000493466184 244169295 /nfs/dbraw/zinc/16/92/95/244169295.db2.gz NBNDDGNXMCVBTF-PLSXKVAHSA-N -1 3 282.343 3.212 20 0 CGADHM CCc1ccc([O-])c(C(=O)N[C@@H](C2CC2)C(F)(F)F)c1 ZINC000494801639 244317811 /nfs/dbraw/zinc/31/78/11/244317811.db2.gz VCRARNVLHICZKD-LBPRGKRZSA-N -1 3 287.281 3.025 20 0 CGADHM CC(C)(C)c1ncc(C(=O)Nc2ccccc2[O-])s1 ZINC000049037694 369383611 /nfs/dbraw/zinc/38/36/11/369383611.db2.gz NEKNYOZQFLLBML-UHFFFAOYSA-N -1 3 276.361 3.399 20 0 CGADHM C[C@@H]1CCC[C@H](CNC(=O)c2c[n-]c3ccccc3c2=O)C1 ZINC000055487046 369519021 /nfs/dbraw/zinc/51/90/21/369519021.db2.gz FTDJZKLZDNABRU-OLZOCXBDSA-N -1 3 298.386 3.084 20 0 CGADHM CCc1ccc([O-])c(C(=O)N[C@@H](C)c2ccc(OC)cc2)c1 ZINC000500745930 244584636 /nfs/dbraw/zinc/58/46/36/244584636.db2.gz GTBFDSJKFQCLDB-LBPRGKRZSA-N -1 3 299.370 3.454 20 0 CGADHM COc1ccc([O-])c(C(=O)N2CCC3(CCCC3)CC2)c1 ZINC000062959702 369633369 /nfs/dbraw/zinc/63/33/69/369633369.db2.gz ZVNFDEBORGOQKY-UHFFFAOYSA-N -1 3 289.375 3.197 20 0 CGADHM COC1(c2nc(-c3ccc([O-])cc3)no2)CCCCC1 ZINC000276522727 193366995 /nfs/dbraw/zinc/36/69/95/193366995.db2.gz BGOXGSMJHBLBJU-UHFFFAOYSA-N -1 3 274.320 3.248 20 0 CGADHM C[C@H](c1ccc(F)cc1)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000086810003 370023371 /nfs/dbraw/zinc/02/33/71/370023371.db2.gz KMZACFAVNOOZLS-CHWSQXEVSA-N -1 3 279.355 3.464 20 0 CGADHM CCC[C@H](C)CC(=O)[N-]c1oc(CC)nc1C(=O)OCC ZINC000093314452 370116709 /nfs/dbraw/zinc/11/67/09/370116709.db2.gz UTPOGVWBFUDIRT-JTQLQIEISA-N -1 3 296.367 3.179 20 0 CGADHM COc1cc(C(=O)N[C@H]2CCC[C@H](C)CC2)ccc1[O-] ZINC000277029064 193535885 /nfs/dbraw/zinc/53/58/85/193535885.db2.gz DMRKNXCDCILKKY-AAEUAGOBSA-N -1 3 277.364 3.099 20 0 CGADHM C[C@H](C(=O)Nc1ccccc1[O-])c1ccccc1F ZINC000109019198 370359725 /nfs/dbraw/zinc/35/97/25/370359725.db2.gz CFUCIAVKIFDTKH-JTQLQIEISA-N -1 3 259.280 3.274 20 0 CGADHM CCc1cccc(C(=O)N2CCC[C@@H]2C(C)C)c1[O-] ZINC000538743829 288587330 /nfs/dbraw/zinc/58/73/30/288587330.db2.gz OLNCPAGLEAXAQI-CQSZACIVSA-N -1 3 261.365 3.215 20 0 CGADHM COc1cc(C)sc1C(=O)Nc1ccccc1[O-] ZINC000113981942 370488543 /nfs/dbraw/zinc/48/85/43/370488543.db2.gz MVPCODGKVALKDH-UHFFFAOYSA-N -1 3 263.318 3.023 20 0 CGADHM CS[C@@H](C)C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000116978928 370576670 /nfs/dbraw/zinc/57/66/70/370576670.db2.gz LYYRFKZLEZTAGJ-ZETCQYMHSA-N -1 3 259.758 3.044 20 0 CGADHM CSC[C@H](C)C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000116979328 370577017 /nfs/dbraw/zinc/57/70/17/370577017.db2.gz JMJAYDKWLLCLSE-QMMMGPOBSA-N -1 3 273.785 3.292 20 0 CGADHM Cc1ccc(-c2nc([C@H]3CCO[C@H](C)C3)no2)c([O-])c1 ZINC000331631855 204028042 /nfs/dbraw/zinc/02/80/42/204028042.db2.gz IAYVGCKXXRKDLC-MNOVXSKESA-N -1 3 274.320 3.033 20 0 CGADHM NC1(c2noc(-c3ccc(Cl)cc3[O-])n2)CCCCC1 ZINC000331708148 204093892 /nfs/dbraw/zinc/09/38/92/204093892.db2.gz YXXVXABUISHDLI-UHFFFAOYSA-N -1 3 293.754 3.214 20 0 CGADHM Cc1ccc2oc(C(=O)[N-]c3nc4ccccn4n3)cc2c1 ZINC000133155337 371232037 /nfs/dbraw/zinc/23/20/37/371232037.db2.gz UWQMKBTWTUYMQG-UHFFFAOYSA-N -1 3 292.298 3.036 20 0 CGADHM COCCC1(C(=O)Nc2cc(Cl)cc(C)c2[O-])CCC1 ZINC000133502086 371256464 /nfs/dbraw/zinc/25/64/64/371256464.db2.gz WXSYAFCPAMTVSO-UHFFFAOYSA-N -1 3 297.782 3.499 20 0 CGADHM CSCCC(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000134130474 371305761 /nfs/dbraw/zinc/30/57/61/371305761.db2.gz JYRHWYKXXDUZJQ-UHFFFAOYSA-N -1 3 279.283 3.103 20 0 CGADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@@H]1C[C@H]1C1CC1 ZINC000134218133 371313533 /nfs/dbraw/zinc/31/35/33/371313533.db2.gz LXSSCVZKHJBHJR-VHSXEESVSA-N -1 3 285.265 3.396 20 0 CGADHM O=C(CCCc1cccs1)[N-]OC1CCCC1 ZINC000135138852 371394144 /nfs/dbraw/zinc/39/41/44/371394144.db2.gz JLPKGBMXJDBWNK-UHFFFAOYSA-N -1 3 253.367 3.061 20 0 CGADHM CCN(CCOc1ccccc1C)C(=O)c1ccccc1[O-] ZINC000421661073 371597176 /nfs/dbraw/zinc/59/71/76/371597176.db2.gz FPIKDXFJRJUXHJ-UHFFFAOYSA-N -1 3 299.370 3.242 20 0 CGADHM Cc1ccc(C(=O)N2CCc3ccc(F)cc3C2)c([O-])c1 ZINC000151395823 371598879 /nfs/dbraw/zinc/59/88/79/371598879.db2.gz GJCQVKCJPOGKJS-UHFFFAOYSA-N -1 3 285.318 3.038 20 0 CGADHM COc1cccc(C(=O)N2c3ccccc3CC[C@@H]2C)c1[O-] ZINC000020260115 541855755 /nfs/dbraw/zinc/85/57/55/541855755.db2.gz YVALTJMXSAEJAW-LBPRGKRZSA-N -1 3 297.354 3.382 20 0 CGADHM C[C@@H](Cc1ccccc1Cl)C(=O)[N-]O[C@@H]1CCCCO1 ZINC000151755403 371632920 /nfs/dbraw/zinc/63/29/20/371632920.db2.gz HJYHYSKVHROKKL-SMDDNHRTSA-N -1 3 297.782 3.093 20 0 CGADHM CC(C)(C)CCCCC(=O)[N-]OCc1cccnc1 ZINC000287280109 371633752 /nfs/dbraw/zinc/63/37/52/371633752.db2.gz LRSSMBFSQNNPOF-UHFFFAOYSA-N -1 3 264.369 3.236 20 0 CGADHM O=C([O-])[C@@H]1CCCCCC[C@H]1NCc1cccnc1Cl ZINC000277530976 193682625 /nfs/dbraw/zinc/68/26/25/193682625.db2.gz ZFIGKAJXUPNUDA-CHWSQXEVSA-N -1 3 296.798 3.248 20 0 CGADHM Cc1ccc(C(=O)Nc2ccc(Cl)cc2[O-])c(C)n1 ZINC000153523209 371774867 /nfs/dbraw/zinc/77/48/67/371774867.db2.gz FREZPDNCVCOJNY-UHFFFAOYSA-N -1 3 276.723 3.310 20 0 CGADHM C[C@H](NCc1cc([O-])cc(C(F)(F)F)c1)C(F)(F)F ZINC000289789746 371823016 /nfs/dbraw/zinc/82/30/16/371823016.db2.gz JZWITOWLPQPMTM-LURJTMIESA-N -1 3 287.203 3.451 20 0 CGADHM CC(C)c1nnc([N-]C(=O)c2ncsc2C(C)C)s1 ZINC000289996055 371872392 /nfs/dbraw/zinc/87/23/92/371872392.db2.gz YRCDGGYXPFAURH-UHFFFAOYSA-N -1 3 296.421 3.494 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])c1snnc1C1CC1 ZINC000290056645 371891550 /nfs/dbraw/zinc/89/15/50/371891550.db2.gz UKULSVDENIFJIS-UHFFFAOYSA-N -1 3 295.751 3.027 20 0 CGADHM CCC[C@H]1CCCN(C(=O)c2ccc(C)cc2[O-])C1 ZINC000155056769 371901818 /nfs/dbraw/zinc/90/18/18/371901818.db2.gz RPESDDUNLBHSNM-ZDUSSCGKSA-N -1 3 261.365 3.353 20 0 CGADHM COc1ccccc1CN[C@H](CC(=O)[O-])c1cccs1 ZINC000037087866 541861150 /nfs/dbraw/zinc/86/11/50/541861150.db2.gz HZBQZIXMLUIMIA-GFCCVEGCSA-N -1 3 291.372 3.062 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)C2(CCF)CC2)c1[O-] ZINC000290581972 372023304 /nfs/dbraw/zinc/02/33/04/372023304.db2.gz UQZPQFYBFXPFFH-UHFFFAOYSA-N -1 3 271.719 3.432 20 0 CGADHM [O-]C(=NO[C@H]1CCCCO1)Nc1cccc(C(F)F)c1 ZINC000159088479 372105346 /nfs/dbraw/zinc/10/53/46/372105346.db2.gz YBLSPICZCKTJLM-NSHDSACASA-N -1 3 286.278 3.204 20 0 CGADHM O=C([N-]O[C@H]1CCCCO1)Nc1cccc(C(F)F)c1 ZINC000159088479 372105348 /nfs/dbraw/zinc/10/53/48/372105348.db2.gz YBLSPICZCKTJLM-NSHDSACASA-N -1 3 286.278 3.204 20 0 CGADHM CCc1cc(C(=O)N2CCCC[C@@H]2c2ncc[nH]2)ccc1[O-] ZINC000291478933 372169276 /nfs/dbraw/zinc/16/92/76/372169276.db2.gz KIXZJHYVZILMEL-CQSZACIVSA-N -1 3 299.374 3.045 20 0 CGADHM O=C([N-]OCC1CC1)Nc1ccc2ccccc2c1 ZINC000292825015 372219848 /nfs/dbraw/zinc/21/98/48/372219848.db2.gz PDCOZEHVGDEAHY-UHFFFAOYSA-N -1 3 256.305 3.303 20 0 CGADHM O=C(C[C@@H]1C=CCCC1)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000429068397 372311459 /nfs/dbraw/zinc/31/14/59/372311459.db2.gz LZFOBJBIIDLUJR-CYBMUJFWSA-N -1 3 281.359 3.184 20 0 CGADHM C[C@@H]1C[C@H](CCNCc2cccc([O-])c2Cl)CCO1 ZINC000293189855 372322919 /nfs/dbraw/zinc/32/29/19/372322919.db2.gz HYWRYBKXJWVWEF-VXGBXAGGSA-N -1 3 283.799 3.340 20 0 CGADHM CCc1oc2ccccc2c1CNCc1cnc(C)[n-]c1=O ZINC000344327247 217151681 /nfs/dbraw/zinc/15/16/81/217151681.db2.gz OWFJFPLTSQAISW-UHFFFAOYSA-N -1 3 297.358 3.089 20 0 CGADHM CCc1cc(=O)[n-]c(CN(CC2CCCCC2)C2CC2)n1 ZINC000344368460 217170959 /nfs/dbraw/zinc/17/09/59/217170959.db2.gz ONKWOALAYYKVFE-UHFFFAOYSA-N -1 3 289.423 3.289 20 0 CGADHM CC[C@H](C)CN(C)C(=O)c1c[n-]c2c(C)cccc2c1=O ZINC000163430683 372469444 /nfs/dbraw/zinc/46/94/44/372469444.db2.gz HWVRHBNOMDWZTE-NSHDSACASA-N -1 3 286.375 3.367 20 0 CGADHM CCOc1nc2cc(C(=O)N[C@@H](C)CC(C)C)ccc2[n-]1 ZINC000431811576 372504908 /nfs/dbraw/zinc/50/49/08/372504908.db2.gz LFONYZZIPZZLHJ-NSHDSACASA-N -1 3 289.379 3.126 20 0 CGADHM CCOc1nc2ccc(C(=O)N[C@@H](C)CC(C)C)cc2[n-]1 ZINC000431811576 372504914 /nfs/dbraw/zinc/50/49/14/372504914.db2.gz LFONYZZIPZZLHJ-NSHDSACASA-N -1 3 289.379 3.126 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)c1cnc(C)c(Cl)c1Cl ZINC000293867841 372506282 /nfs/dbraw/zinc/50/62/82/372506282.db2.gz YFCPCPVITUCUBM-SSDOTTSWSA-N -1 3 291.178 3.404 20 0 CGADHM COCC(C)(C)CCCNCc1c(F)ccc([O-])c1F ZINC000294094278 372579779 /nfs/dbraw/zinc/57/97/79/372579779.db2.gz ZTOALYVOQLWXOM-UHFFFAOYSA-N -1 3 287.350 3.213 20 0 CGADHM CCN(Cc1c(F)ccc([O-])c1F)CC(F)(F)F ZINC000295262031 372721560 /nfs/dbraw/zinc/72/15/60/372721560.db2.gz GXVGNANWVJKSLY-UHFFFAOYSA-N -1 3 269.213 3.055 20 0 CGADHM CC(F)(F)CC[N-]C(=O)C(F)(F)c1ccccc1F ZINC000295419585 372774183 /nfs/dbraw/zinc/77/41/83/372774183.db2.gz CQXUPNWMKFSCIA-UHFFFAOYSA-N -1 3 281.224 3.079 20 0 CGADHM O=C(Nc1cccc(F)c1F)c1cc(-c2ccco2)[n-]n1 ZINC000067331274 284351701 /nfs/dbraw/zinc/35/17/01/284351701.db2.gz YJGUOZZBFYZHSZ-UHFFFAOYSA-N -1 3 289.241 3.200 20 0 CGADHM O=C(Nc1cccc(F)c1F)c1cc(-c2ccco2)n[n-]1 ZINC000067331274 284351702 /nfs/dbraw/zinc/35/17/02/284351702.db2.gz YJGUOZZBFYZHSZ-UHFFFAOYSA-N -1 3 289.241 3.200 20 0 CGADHM O=C(NC1(c2ccc(Cl)cc2)CC1)c1ccccc1[O-] ZINC000436892091 372842780 /nfs/dbraw/zinc/84/27/80/372842780.db2.gz KLZNHLZLDBSGCH-UHFFFAOYSA-N -1 3 287.746 3.465 20 0 CGADHM Cc1ccc(-c2cc(C(=O)Nc3ccnn3C(C)C)n[n-]2)o1 ZINC000171912704 372849412 /nfs/dbraw/zinc/84/94/12/372849412.db2.gz QUTWFVYMFXYWSV-UHFFFAOYSA-N -1 3 299.334 3.008 20 0 CGADHM Cc1ccc(-c2cc(C(=O)Nc3ccnn3C(C)C)[n-]n2)o1 ZINC000171912704 372849450 /nfs/dbraw/zinc/84/94/50/372849450.db2.gz QUTWFVYMFXYWSV-UHFFFAOYSA-N -1 3 299.334 3.008 20 0 CGADHM [O-]c1ccc(-c2noc(C3(C(F)(F)F)CCC3)n2)cc1 ZINC000295814723 372921798 /nfs/dbraw/zinc/92/17/98/372921798.db2.gz FZBSAAIAZAUPND-UHFFFAOYSA-N -1 3 284.237 3.426 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CCCCC(C)(C)C2)c1 ZINC000438389759 372948949 /nfs/dbraw/zinc/94/89/49/372948949.db2.gz FZZSTTBEIQLFEU-UHFFFAOYSA-N -1 3 261.365 3.353 20 0 CGADHM O=C([N-]c1ccncc1F)c1cc(-c2ccccc2)ns1 ZINC000344749182 217297134 /nfs/dbraw/zinc/29/71/34/217297134.db2.gz RGFIFWQNMKAERE-UHFFFAOYSA-N -1 3 299.330 3.018 20 0 CGADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCc2ccccc21 ZINC000344814140 217319514 /nfs/dbraw/zinc/31/95/14/217319514.db2.gz ZBEFGTCCYHODCO-UHFFFAOYSA-N -1 3 299.345 3.443 20 0 CGADHM CCC1(NC(=O)c2cc(=O)c3ccccc3[n-]2)CCCC1 ZINC000296240426 373064509 /nfs/dbraw/zinc/06/45/09/373064509.db2.gz PWIBKJTURZZWHR-UHFFFAOYSA-N -1 3 284.359 3.393 20 0 CGADHM C[C@@H](C1CC1)N(C(=O)c1cc([O-])ccc1Cl)C1CC1 ZINC000277652758 193721170 /nfs/dbraw/zinc/72/11/70/193721170.db2.gz LACVAVRSDALDMG-VIFPVBQESA-N -1 3 279.767 3.449 20 0 CGADHM CCCCN(C)c1ccc(NC(=O)[N-]OC(C)C)cc1 ZINC000296691889 373220051 /nfs/dbraw/zinc/22/00/51/373220051.db2.gz QJLGCIKUNIMOBE-UHFFFAOYSA-N -1 3 279.384 3.384 20 0 CGADHM Cc1cc(CN(C)C(=O)c2cccc([O-])c2)ccc1F ZINC000444438383 373188561 /nfs/dbraw/zinc/18/85/61/373188561.db2.gz HLCDBAUDKKRDKT-UHFFFAOYSA-N -1 3 273.307 3.112 20 0 CGADHM Cc1cc2cc[nH]c2cc1NC(=O)c1cccc([O-])c1 ZINC000444455010 373190776 /nfs/dbraw/zinc/19/07/76/373190776.db2.gz RCGSNCYNKPFRRM-UHFFFAOYSA-N -1 3 266.300 3.434 20 0 CGADHM CC[C@@H](C)[C@@H](NC(=O)c1ccc([O-])c(C)c1)C(F)(F)F ZINC000444563360 373200296 /nfs/dbraw/zinc/20/02/96/373200296.db2.gz ZGIHIBJZMBXHNR-PRHODGIISA-N -1 3 289.297 3.407 20 0 CGADHM CCCCS[C@H](C)C(=O)Nc1cc(F)ccc1[O-] ZINC000174873774 373375790 /nfs/dbraw/zinc/37/57/90/373375790.db2.gz YFCAEYSJMXUKKA-SECBINFHSA-N -1 3 271.357 3.392 20 0 CGADHM CCOc1cc(CNCc2nccs2)cc(Cl)c1[O-] ZINC000298674237 373380045 /nfs/dbraw/zinc/38/00/45/373380045.db2.gz AWSGPYTZHVVSLA-UHFFFAOYSA-N -1 3 298.795 3.191 20 0 CGADHM CC(C)c1ccc(C(=O)N(C)Cc2cccnc2)c([O-])c1 ZINC000298707424 373387113 /nfs/dbraw/zinc/38/71/13/373387113.db2.gz VIFXLKVSBHKQFB-UHFFFAOYSA-N -1 3 284.359 3.183 20 0 CGADHM Cc1csc(NC(=O)CCCc2ccc([O-])c(F)c2)n1 ZINC000345024948 217389695 /nfs/dbraw/zinc/38/96/95/217389695.db2.gz PNBQBGFCBCCEAD-UHFFFAOYSA-N -1 3 294.351 3.258 20 0 CGADHM C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)c1ccc(O)cc1[O-] ZINC000175740490 373512251 /nfs/dbraw/zinc/51/22/51/373512251.db2.gz JJYHXWSNWJYXSZ-WFASDCNBSA-N -1 3 297.354 3.116 20 0 CGADHM COc1ccc([C@H]2CCN(C(=O)c3ccccc3[O-])C2)cc1 ZINC000299615842 373583859 /nfs/dbraw/zinc/58/38/59/373583859.db2.gz PVMCZNRQBBYQCV-AWEZNQCLSA-N -1 3 297.354 3.031 20 0 CGADHM Cc1cc(C(=O)N=c2cc(C3(C)CCCC3)o[n-]2)co1 ZINC000448417032 373577372 /nfs/dbraw/zinc/57/73/72/373577372.db2.gz XJZHVBUTMDVJAD-UHFFFAOYSA-N -1 3 274.320 3.082 20 0 CGADHM O=C([N-]c1cnns1)N1CC2(CCC2)c2ccccc21 ZINC000333512763 284406379 /nfs/dbraw/zinc/40/63/79/284406379.db2.gz MILXQONXZXUHHO-UHFFFAOYSA-N -1 3 286.360 3.012 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])c1ccc2ncsc2c1 ZINC000178330762 373767265 /nfs/dbraw/zinc/76/72/65/373767265.db2.gz NXZPETVBFCNSTM-UHFFFAOYSA-N -1 3 288.303 3.393 20 0 CGADHM Cc1cccc(C(=O)N[C@@H](Cc2ccccc2)C2CC2)c1[O-] ZINC000303926302 374031304 /nfs/dbraw/zinc/03/13/04/374031304.db2.gz WOVOSCSYUMJTQD-KRWDZBQOSA-N -1 3 295.382 3.452 20 0 CGADHM CC(=O)c1[n-]c(=N[C@@H]2CCO[C@H](C(C)(C)C)C2)sc1C ZINC000450413134 374111552 /nfs/dbraw/zinc/11/15/52/374111552.db2.gz SGJYBJWUCAFHBB-NEPJUHHUSA-N -1 3 296.436 3.082 20 0 CGADHM O=C([O-])[C@H]1C=C[C@H](NCc2cccc(Cl)c2Cl)C1 ZINC000310770624 374223342 /nfs/dbraw/zinc/22/33/42/374223342.db2.gz CPUGACXHRZCHPN-WPRPVWTQSA-N -1 3 286.158 3.112 20 0 CGADHM C[C@@H](NC(=O)c1cccc([O-])c1)C(C)(C)c1ccccc1 ZINC000182322483 374258898 /nfs/dbraw/zinc/25/88/98/374258898.db2.gz UWHHNPCUVOKJQA-CYBMUJFWSA-N -1 3 283.371 3.488 20 0 CGADHM C[C@@H]1CCC[C@@H](C)N1C(=O)Cc1ccc([O-])cc1Cl ZINC000182378376 374265136 /nfs/dbraw/zinc/26/51/36/374265136.db2.gz AZLJXMQUHOEMSB-GHMZBOCLSA-N -1 3 281.783 3.378 20 0 CGADHM Cc1cccc(C)c1OC[C@H](C)NC(=O)c1cccc([O-])c1 ZINC000182223904 374238268 /nfs/dbraw/zinc/23/82/68/374238268.db2.gz WJHJYHQVGCOQBJ-AWEZNQCLSA-N -1 3 299.370 3.206 20 0 CGADHM O=C(c1cccc2[n-]nnc21)N1CCC[C@@H]1C1CCCCC1 ZINC000182729174 374318358 /nfs/dbraw/zinc/31/83/58/374318358.db2.gz UFJNKQAUXISTPB-OAHLLOKOSA-N -1 3 298.390 3.143 20 0 CGADHM O=C(c1cccc2nn[n-]c21)N1CCC[C@@H]1C1CCCCC1 ZINC000182729174 374318360 /nfs/dbraw/zinc/31/83/60/374318360.db2.gz UFJNKQAUXISTPB-OAHLLOKOSA-N -1 3 298.390 3.143 20 0 CGADHM O=C(c1cccc2n[n-]nc21)N1CCC[C@@H]1C1CCCCC1 ZINC000182729174 374318363 /nfs/dbraw/zinc/31/83/63/374318363.db2.gz UFJNKQAUXISTPB-OAHLLOKOSA-N -1 3 298.390 3.143 20 0 CGADHM Cc1cccc([O-])c1NC(=O)c1cccc(OC(C)C)n1 ZINC000183024987 374355680 /nfs/dbraw/zinc/35/56/80/374355680.db2.gz AMRZLJNSTDDTBA-UHFFFAOYSA-N -1 3 286.331 3.135 20 0 CGADHM Cc1cccc([O-])c1NC(=O)c1cc2ccccn2c1 ZINC000183045935 374362178 /nfs/dbraw/zinc/36/21/78/374362178.db2.gz URPSQSWUOYZKKG-UHFFFAOYSA-N -1 3 266.300 3.206 20 0 CGADHM Cc1cccc([O-])c1NC(=O)CCC(=O)c1cccs1 ZINC000183079873 374369214 /nfs/dbraw/zinc/36/92/14/374369214.db2.gz BZYKFDTVHPCOJH-UHFFFAOYSA-N -1 3 289.356 3.364 20 0 CGADHM Cc1cc(NC[C@@H](C(=O)[O-])C(C)C)c2ccccc2n1 ZINC000087507868 541943575 /nfs/dbraw/zinc/94/35/75/541943575.db2.gz CJIALXXPTNTUHD-CYBMUJFWSA-N -1 3 272.348 3.312 20 0 CGADHM C[C@@H](c1cccc(F)c1)N1CCC(C)(C(=O)[O-])CC1 ZINC000086776646 541940316 /nfs/dbraw/zinc/94/03/16/541940316.db2.gz JCGPFHGSHMHXGR-NSHDSACASA-N -1 3 265.328 3.073 20 0 CGADHM C[C@@H]1C[C@@H]1c1ccc(CN2CCC(C)(C(=O)[O-])CC2)o1 ZINC000086776660 541940618 /nfs/dbraw/zinc/94/06/18/541940618.db2.gz BHYCAMXCKVMTNG-YPMHNXCESA-N -1 3 277.364 3.090 20 0 CGADHM C[C@H]1CCCC[C@H]1OCC(=O)Nc1cc(F)ccc1[O-] ZINC000330487587 374472625 /nfs/dbraw/zinc/47/26/25/374472625.db2.gz GVFZKMZJZKYTET-IINYFYTJSA-N -1 3 281.327 3.065 20 0 CGADHM Cc1ccc(C(=O)N2C[C@@H](C(C)C)[C@H]2C(C)C)c([O-])c1 ZINC000456358145 374525530 /nfs/dbraw/zinc/52/55/30/374525530.db2.gz YGUDTCLHNGLBRR-GOEBONIOSA-N -1 3 275.392 3.453 20 0 CGADHM O=C(c1cccc([O-])c1)N1CCCc2ccccc2CC1 ZINC000456315006 374510042 /nfs/dbraw/zinc/51/00/42/374510042.db2.gz PZDCTROYCZFJNQ-UHFFFAOYSA-N -1 3 281.355 3.023 20 0 CGADHM C[C@@H]1CC[C@H](C)CN1Cc1ccc(F)cc1C(=O)[O-] ZINC000088712483 541951254 /nfs/dbraw/zinc/95/12/54/541951254.db2.gz GVHUJSSPWQEMJU-WDEREUQCSA-N -1 3 265.328 3.144 20 0 CGADHM COc1ccc(NC(=O)CC2CCCCC2)c([O-])c1 ZINC000331284942 374521428 /nfs/dbraw/zinc/52/14/28/374521428.db2.gz LITNCNFLNWHSND-UHFFFAOYSA-N -1 3 263.337 3.310 20 0 CGADHM [O-]c1cc(F)cc(CNCc2ccc(Cl)cc2)c1 ZINC000184135390 374497335 /nfs/dbraw/zinc/49/73/35/374497335.db2.gz OHRLOYWBNYURJY-UHFFFAOYSA-N -1 3 265.715 3.475 20 0 CGADHM CC[C@H](CC1CCCCC1)C(=O)NCc1ncccc1[O-] ZINC000331021775 374497605 /nfs/dbraw/zinc/49/76/05/374497605.db2.gz PQQXSFVNRBUVGI-CQSZACIVSA-N -1 3 290.407 3.400 20 0 CGADHM CC(C)c1[nH]ccc1C(=O)Nc1cc(F)ccc1[O-] ZINC000334195815 206176499 /nfs/dbraw/zinc/17/64/99/206176499.db2.gz MGTDZZIYEQRHDB-UHFFFAOYSA-N -1 3 262.284 3.235 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CCC[C@H](c3ccncc3)C2)c1 ZINC000334199954 206181129 /nfs/dbraw/zinc/18/11/29/206181129.db2.gz PYCCEUJQNAKVNX-HNNXBMFYSA-N -1 3 296.370 3.115 20 0 CGADHM COC1(C(=O)Nc2cc(Cl)ccc2[O-])CCCCC1 ZINC000185387846 374654391 /nfs/dbraw/zinc/65/43/91/374654391.db2.gz YQWFUHUCAZBCGD-UHFFFAOYSA-N -1 3 283.755 3.333 20 0 CGADHM [O-]c1cc(F)cc(CN[C@@H](CCCO)c2ccccc2)c1 ZINC000185551006 374686816 /nfs/dbraw/zinc/68/68/16/374686816.db2.gz CQOQFYJYQALGCF-KRWDZBQOSA-N -1 3 289.350 3.135 20 0 CGADHM CC[C@@H](C)N(C)C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000185728239 374724190 /nfs/dbraw/zinc/72/41/90/374724190.db2.gz DNRBDBDIJZBUFM-LLVKDONJSA-N -1 3 261.365 3.142 20 0 CGADHM CO[C@H](C)CCC(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000186298051 374828785 /nfs/dbraw/zinc/82/87/85/374828785.db2.gz BWWSGISTQNBTIY-NWDGAFQWSA-N -1 3 277.364 3.048 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])[C@@H]1CCc2cccnc21 ZINC000334538476 374834236 /nfs/dbraw/zinc/83/42/36/374834236.db2.gz RKFOLCKXLPRVTH-LLVKDONJSA-N -1 3 288.734 3.109 20 0 CGADHM Cc1ccc(-c2c[nH]cc2C(=O)Nc2ncccc2[O-])s1 ZINC000187877282 375111322 /nfs/dbraw/zinc/11/13/22/375111322.db2.gz NNCFHBMWSQNPSI-UHFFFAOYSA-N -1 3 299.355 3.405 20 0 CGADHM COC(=O)c1cnc(SCc2ccccc2Cl)[n-]1 ZINC000187596286 375051999 /nfs/dbraw/zinc/05/19/99/375051999.db2.gz BMXPTUBRUKAUMK-UHFFFAOYSA-N -1 3 282.752 3.142 20 0 CGADHM O=C([N-]c1cc(F)cc(F)c1F)c1occ2c1CCOC2 ZINC000335154348 375181100 /nfs/dbraw/zinc/18/11/00/375181100.db2.gz AGMQNAVPTPRLKE-UHFFFAOYSA-N -1 3 297.232 3.022 20 0 CGADHM CC(C)(C)[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccco1 ZINC000188592596 375239550 /nfs/dbraw/zinc/23/95/50/375239550.db2.gz FZXLOBKHOGBARC-NWDGAFQWSA-N -1 3 285.409 3.163 20 0 CGADHM O=S(=O)([N-]C1(c2ccccc2)CCCC1)c1ccco1 ZINC000188689036 375253589 /nfs/dbraw/zinc/25/35/89/375253589.db2.gz BFTFJNMXMPLIDP-UHFFFAOYSA-N -1 3 291.372 3.027 20 0 CGADHM CCc1ccc(C(=O)N(C)CCOc2ccccc2)c([O-])c1 ZINC000188534295 375226899 /nfs/dbraw/zinc/22/68/99/375226899.db2.gz AYHZAJQYMPMFSN-UHFFFAOYSA-N -1 3 299.370 3.106 20 0 CGADHM O=C(Nc1ccc([O-])cc1F)[C@H]1CCCCC1(F)F ZINC000335450081 375303201 /nfs/dbraw/zinc/30/32/01/375303201.db2.gz UJOCUFUUTHYEQA-SECBINFHSA-N -1 3 273.254 3.295 20 0 CGADHM CC(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2[O-])o1 ZINC000335832298 375467759 /nfs/dbraw/zinc/46/77/59/375467759.db2.gz ACSAIXPOALRNAD-UHFFFAOYSA-N -1 3 279.679 3.094 20 0 CGADHM CCCNc1ccccc1NC(=O)c1cccc2nn[n-]c21 ZINC000190131825 375479707 /nfs/dbraw/zinc/47/97/07/375479707.db2.gz YXBNBXKXHVSZBY-UHFFFAOYSA-N -1 3 295.346 3.032 20 0 CGADHM CCCNc1ccccc1NC(=O)c1cccc2[n-]nnc21 ZINC000190131825 375479712 /nfs/dbraw/zinc/47/97/12/375479712.db2.gz YXBNBXKXHVSZBY-UHFFFAOYSA-N -1 3 295.346 3.032 20 0 CGADHM CCCNc1ccccc1NC(=O)c1cccc2n[n-]nc21 ZINC000190131825 375479715 /nfs/dbraw/zinc/47/97/15/375479715.db2.gz YXBNBXKXHVSZBY-UHFFFAOYSA-N -1 3 295.346 3.032 20 0 CGADHM C[C@H](C(=O)Nc1ccccc1[O-])c1ccc(F)c(F)c1 ZINC000335902985 375526617 /nfs/dbraw/zinc/52/66/17/375526617.db2.gz RUEVSABHCCYCAR-VIFPVBQESA-N -1 3 277.270 3.413 20 0 CGADHM C[C@@H]1CC[C@@H](N(C)C(=O)c2cc([O-])ccc2Cl)C1 ZINC000507310477 375693998 /nfs/dbraw/zinc/69/39/98/375693998.db2.gz UWGWMWDGYZTCBC-NXEZZACHSA-N -1 3 267.756 3.306 20 0 CGADHM CSc1ccc(Cl)cc1[N-]C(=O)c1ccncn1 ZINC000336094786 375682372 /nfs/dbraw/zinc/68/23/72/375682372.db2.gz QHQULXLGIYLLMF-UHFFFAOYSA-N -1 3 279.752 3.104 20 0 CGADHM O=C(c1csc(=O)[n-]1)N1CC[C@H]1c1ccc(Cl)cc1 ZINC000336140544 375720303 /nfs/dbraw/zinc/72/03/03/375720303.db2.gz KCJLHHSELCHHEH-NSHDSACASA-N -1 3 294.763 3.089 20 0 CGADHM Cc1ccc(C(=O)N2CCC(c3ccncc3)CC2)c([O-])c1 ZINC000192285972 375724342 /nfs/dbraw/zinc/72/43/42/375724342.db2.gz JBFHBESJPQUSOL-UHFFFAOYSA-N -1 3 296.370 3.115 20 0 CGADHM CC(C)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cccs2)C1 ZINC000507537003 375713191 /nfs/dbraw/zinc/71/31/91/375713191.db2.gz PWXDROVMJMSEFY-VXGBXAGGSA-N -1 3 287.450 3.241 20 0 CGADHM CC(C)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccccc2F)C1 ZINC000507538406 375713645 /nfs/dbraw/zinc/71/36/45/375713645.db2.gz WCCFZVFUUKSGKZ-CHWSQXEVSA-N -1 3 299.411 3.319 20 0 CGADHM CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(C)cc1[O-] ZINC000192458553 375752450 /nfs/dbraw/zinc/75/24/50/375752450.db2.gz DOFIVKCCWPHTBE-UHFFFAOYSA-N -1 3 299.370 3.372 20 0 CGADHM O=C(NCCCC1CCCCC1)c1cccc([O-])c1 ZINC000508783301 375761921 /nfs/dbraw/zinc/76/19/21/375761921.db2.gz HUXWJLMIGZFIRR-UHFFFAOYSA-N -1 3 261.365 3.483 20 0 CGADHM CS[C@@H]1CCCCN(Cc2cc(C)c(C(=O)[O-])o2)C1 ZINC000516300894 375819715 /nfs/dbraw/zinc/81/97/15/375819715.db2.gz JIDZXPYZRVHMDA-GFCCVEGCSA-N -1 3 283.393 3.004 20 0 CGADHM Cc1cc(C(=O)Nc2ccc(N(C)C)cc2C)ccc1[O-] ZINC000336552045 375826240 /nfs/dbraw/zinc/82/62/40/375826240.db2.gz NBCBSMIMPYNQEB-UHFFFAOYSA-N -1 3 284.359 3.327 20 0 CGADHM C[C@@H]1CCCN1Cc1cc(C(=O)[O-])ccc1Cl ZINC000517750857 375826769 /nfs/dbraw/zinc/82/67/69/375826769.db2.gz SXZJMGSNYUSKIP-SECBINFHSA-N -1 3 253.729 3.023 20 0 CGADHM O=C([N-]c1cc(Cl)cc(F)c1F)c1cncs1 ZINC000336577481 375845761 /nfs/dbraw/zinc/84/57/61/375845761.db2.gz TVROUCHJMHIPRB-UHFFFAOYSA-N -1 3 274.679 3.327 20 0 CGADHM CC(C)c1cccc(C(=O)Nc2ccc([O-])cc2F)n1 ZINC000336592466 375858823 /nfs/dbraw/zinc/85/88/23/375858823.db2.gz XOFJDFIIGITHON-UHFFFAOYSA-N -1 3 274.295 3.302 20 0 CGADHM Cc1ccc(Cl)cc1NC(=O)NCc1ncccc1[O-] ZINC000336616194 375877534 /nfs/dbraw/zinc/87/75/34/375877534.db2.gz VNICBULCIDJACG-UHFFFAOYSA-N -1 3 291.738 3.071 20 0 CGADHM CC(C)c1ccc([C@H](NC(=O)c2c[n-]nn2)C(C)C)cc1 ZINC000193474204 375883686 /nfs/dbraw/zinc/88/36/86/375883686.db2.gz YFXOOIZGIDMGFJ-OAHLLOKOSA-N -1 3 286.379 3.055 20 0 CGADHM CC(C)c1ccc([C@H](NC(=O)c2cnn[n-]2)C(C)C)cc1 ZINC000193474204 375883692 /nfs/dbraw/zinc/88/36/92/375883692.db2.gz YFXOOIZGIDMGFJ-OAHLLOKOSA-N -1 3 286.379 3.055 20 0 CGADHM CC(C)c1ccc([C@H](NC(=O)c2cn[n-]n2)C(C)C)cc1 ZINC000193474204 375883697 /nfs/dbraw/zinc/88/36/97/375883697.db2.gz YFXOOIZGIDMGFJ-OAHLLOKOSA-N -1 3 286.379 3.055 20 0 CGADHM CC(C)(C)n1cnc([N-]C(=O)c2cccc(Cl)c2F)n1 ZINC000336633809 375893704 /nfs/dbraw/zinc/89/37/04/375893704.db2.gz LIFYYOGYMMHRTH-UHFFFAOYSA-N -1 3 296.733 3.078 20 0 CGADHM O=C([O-])CCCCNCc1cccc(Cl)c1Cl ZINC000336681618 375903728 /nfs/dbraw/zinc/90/37/28/375903728.db2.gz DWDSOFKLAOKSBQ-UHFFFAOYSA-N -1 3 276.163 3.338 20 0 CGADHM CCCC[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(C)o1 ZINC000536893103 376141989 /nfs/dbraw/zinc/14/19/89/376141989.db2.gz JUFCIYGNLFGSFZ-OLZOCXBDSA-N -1 3 285.409 3.225 20 0 CGADHM CCc1cc(=O)[n-]c(CN[C@H](c2cccs2)C2CC2)n1 ZINC000537165867 376150857 /nfs/dbraw/zinc/15/08/57/376150857.db2.gz BQAHMGKBDYNFJH-HNNXBMFYSA-N -1 3 289.404 3.047 20 0 CGADHM CC1(C)CC[C@@H](C(=O)Nc2ccc([O-])cc2F)C1 ZINC000334275129 206294948 /nfs/dbraw/zinc/29/49/48/206294948.db2.gz BPRNDQAOHBJVDJ-SECBINFHSA-N -1 3 251.301 3.296 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)[C@H](C)C2CCCCC2)o1 ZINC000540215213 376367676 /nfs/dbraw/zinc/36/76/76/376367676.db2.gz DTICESSVZQRKBU-STQMWFEESA-N -1 3 299.436 3.471 20 0 CGADHM Cc1ccc(NC(=O)c2ccc([O-])c(C)c2)cc1F ZINC000226714517 376370220 /nfs/dbraw/zinc/37/02/20/376370220.db2.gz CSQSNPOHBNNLSZ-UHFFFAOYSA-N -1 3 259.280 3.400 20 0 CGADHM COc1ccc([C@@H](C)NC(=O)c2ccc([O-])c(C)c2)cc1 ZINC000227017075 376377891 /nfs/dbraw/zinc/37/78/91/376377891.db2.gz MVIHOGKVEORMRU-GFCCVEGCSA-N -1 3 285.343 3.200 20 0 CGADHM COc1ccc(NC(=O)c2ccc([O-])c(C)c2)c(C)c1 ZINC000227025303 376379204 /nfs/dbraw/zinc/37/92/04/376379204.db2.gz UXJFYDVQDTXVTP-UHFFFAOYSA-N -1 3 271.316 3.270 20 0 CGADHM CCCCN(C(=O)c1cc([O-])ccc1Cl)C1CC1 ZINC000232995324 376594215 /nfs/dbraw/zinc/59/42/15/376594215.db2.gz GULPEHCQQZJUOQ-UHFFFAOYSA-N -1 3 267.756 3.450 20 0 CGADHM CCC[C@H](C)N(C)C(=O)c1cc([O-])ccc1Cl ZINC000233334370 376596778 /nfs/dbraw/zinc/59/67/78/376596778.db2.gz FCKUBZLBKFYSKV-VIFPVBQESA-N -1 3 255.745 3.306 20 0 CGADHM O=C(Nc1ccc(Cl)cc1[O-])c1cccc2[nH]cnc21 ZINC000339007149 376625833 /nfs/dbraw/zinc/62/58/33/376625833.db2.gz NCOBNDAFJJRQAW-UHFFFAOYSA-N -1 3 287.706 3.174 20 0 CGADHM O=C(Nc1ccc(Cl)cc1[O-])c1cccc2nc[nH]c21 ZINC000339007149 376625843 /nfs/dbraw/zinc/62/58/43/376625843.db2.gz NCOBNDAFJJRQAW-UHFFFAOYSA-N -1 3 287.706 3.174 20 0 CGADHM CCO[C@@H](CC(=O)Nc1ccc(Cl)cc1[O-])C(C)C ZINC000339008266 376627223 /nfs/dbraw/zinc/62/72/23/376627223.db2.gz DOXANJBKPSHKDQ-ZDUSSCGKSA-N -1 3 285.771 3.435 20 0 CGADHM CC[C@@H](C(=O)Nc1ccccc1[O-])c1c(C)noc1C ZINC000340101411 376916706 /nfs/dbraw/zinc/91/67/06/376916706.db2.gz HRFMWGMJKCVEBZ-LLVKDONJSA-N -1 3 274.320 3.129 20 0 CGADHM CCCCO[C@H](C)C(=O)Nc1c([O-])cccc1Cl ZINC000557183447 376923941 /nfs/dbraw/zinc/92/39/41/376923941.db2.gz INCHYXVPTDCZTK-SECBINFHSA-N -1 3 271.744 3.189 20 0 CGADHM CCc1ncsc1C(=O)Nc1c([O-])cccc1Cl ZINC000557181445 376924593 /nfs/dbraw/zinc/92/45/93/376924593.db2.gz RIIFHKUMXIPSKV-UHFFFAOYSA-N -1 3 282.752 3.317 20 0 CGADHM CCc1cc(C(=O)Nc2cccc(OC)c2)ccc1[O-] ZINC000557423591 376935708 /nfs/dbraw/zinc/93/57/08/376935708.db2.gz JEARQZQPYYUCRY-UHFFFAOYSA-N -1 3 271.316 3.216 20 0 CGADHM O=C(CNc1cccc(F)c1)Nc1cc(Cl)ccc1[O-] ZINC000340238860 376957654 /nfs/dbraw/zinc/95/76/54/376957654.db2.gz NLDOLDPQPOAYJJ-UHFFFAOYSA-N -1 3 294.713 3.235 20 0 CGADHM Cc1cc(F)cc(C(=O)Nc2cc(F)ccc2[O-])c1 ZINC000340327135 377002668 /nfs/dbraw/zinc/00/26/68/377002668.db2.gz AMMITFYVFOJRBN-UHFFFAOYSA-N -1 3 263.243 3.231 20 0 CGADHM CCOc1cc(CN2[C@H](C)C[C@@H]2C)cc(Cl)c1[O-] ZINC000560610448 377180172 /nfs/dbraw/zinc/18/01/72/377180172.db2.gz IRDZECBVOBUPSM-AOOOYVTPSA-N -1 3 269.772 3.427 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2cc(Cl)ccn2)c1 ZINC000560625698 377182521 /nfs/dbraw/zinc/18/25/21/377182521.db2.gz FHPVWWYYQKKPJS-UHFFFAOYSA-N -1 3 276.723 3.255 20 0 CGADHM O=C([O-])C[C@H]1CCCN(CCc2cccc(Cl)c2)C1 ZINC000560927334 377200558 /nfs/dbraw/zinc/20/05/58/377200558.db2.gz JCJLXVMXNYKDEE-CYBMUJFWSA-N -1 3 281.783 3.069 20 0 CGADHM CC(=O)c1cccc(NC(=O)c2cc(C)ccc2C)c1[O-] ZINC000562854821 377367272 /nfs/dbraw/zinc/36/72/72/377367272.db2.gz NCDCXQLEVUMEIZ-UHFFFAOYSA-N -1 3 283.327 3.464 20 0 CGADHM CC[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccccc2F)C1 ZINC000085069145 249013677 /nfs/dbraw/zinc/01/36/77/249013677.db2.gz WEUWVKDFMWDTHL-NEPJUHHUSA-N -1 3 285.384 3.073 20 0 CGADHM C[C@H]1C[C@@H]1c1noc(-c2ccc3c(c2[O-])CCCC3)n1 ZINC000573737390 377569303 /nfs/dbraw/zinc/56/93/03/377569303.db2.gz NKIVSEBGVXPZDF-ZANVPECISA-N -1 3 270.332 3.444 20 0 CGADHM CC(C)[C@H]1CN(Cc2ccc(F)cc2C(=O)[O-])CCS1 ZINC000515305630 249207337 /nfs/dbraw/zinc/20/73/37/249207337.db2.gz CPSGAYGVNKWJJB-CQSZACIVSA-N -1 3 297.395 3.097 20 0 CGADHM C/C=C\c1ccc(N[C@@H](C)C(=O)[N-]c2cc(C)no2)cc1 ZINC000487968748 249171953 /nfs/dbraw/zinc/17/19/53/249171953.db2.gz NTVFLJWIZMUYDH-RXNFCKPNSA-N -1 3 285.347 3.455 20 0 CGADHM O=C(Nc1ccc(Br)cc1[O-])[C@H]1C[C@@H]1C1CC1 ZINC000516616207 249238346 /nfs/dbraw/zinc/23/83/46/249238346.db2.gz NIHCPYSRRPOUIL-ZJUUUORDSA-N -1 3 296.164 3.139 20 0 CGADHM CCC[C@@H](CC)S(=O)(=O)[N-]c1cc(F)ccc1F ZINC000516905151 249247979 /nfs/dbraw/zinc/24/79/79/249247979.db2.gz JOPZDUXJTMDXDR-SNVBAGLBSA-N -1 3 277.336 3.285 20 0 CGADHM CC[C@@H](C)N(CC(=O)[O-])Cc1cc(OC)ccc1Cl ZINC000517153581 249257729 /nfs/dbraw/zinc/25/77/29/249257729.db2.gz GPDQYLOHLDDTMP-SNVBAGLBSA-N -1 3 285.771 3.034 20 0 CGADHM Cc1cccnc1CSCc1cc(=O)[n-]c(C2CC2)n1 ZINC000574428388 377662311 /nfs/dbraw/zinc/66/23/11/377662311.db2.gz IXYJTJAWYSXOJZ-UHFFFAOYSA-N -1 3 287.388 3.196 20 0 CGADHM O=C(/C=C\c1cncc([O-])c1)N1CCC[C@@H]1c1ccccc1 ZINC000255286325 377745940 /nfs/dbraw/zinc/74/59/40/377745940.db2.gz WQWINVYLSSQDHK-XZVRFQMRSA-N -1 3 294.354 3.164 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])c1cnc2ccccc2c1 ZINC000342856962 377839133 /nfs/dbraw/zinc/83/91/33/377839133.db2.gz WKQUGOZFHFMFCO-UHFFFAOYSA-N -1 3 282.274 3.332 20 0 CGADHM CCCCCN(C)c1ccc(F)cc1CN[C@H](C)C(=O)[O-] ZINC000262141094 377888818 /nfs/dbraw/zinc/88/88/18/377888818.db2.gz ZCIMJCRQPPAYAK-GFCCVEGCSA-N -1 3 296.386 3.015 20 0 CGADHM C[C@@H]1C[C@H](C(=O)[O-])CN(Cc2cccc(C(F)F)c2)C1 ZINC000263103655 377919769 /nfs/dbraw/zinc/91/97/69/377919769.db2.gz BEISJYMUSAYWFA-MFKMUULPSA-N -1 3 283.318 3.167 20 0 CGADHM O=C([O-])c1ccc(CN2CC[C@@H](CC(F)(F)F)C2)cc1 ZINC000263379408 377930584 /nfs/dbraw/zinc/93/05/84/377930584.db2.gz BFYQAOSJGJXGEY-NSHDSACASA-N -1 3 287.281 3.159 20 0 CGADHM Cc1cc(Cl)cc(CN2C[C@@H](C(=O)[O-])CC[C@@H]2C)c1 ZINC000263507007 377942600 /nfs/dbraw/zinc/94/26/00/377942600.db2.gz MIEXFDHCLJKAGR-AAEUAGOBSA-N -1 3 281.783 3.334 20 0 CGADHM Cc1ccc(C(=O)N2CC[C@H](c3cccc(F)c3)C2)c([O-])c1 ZINC000264274962 377971276 /nfs/dbraw/zinc/97/12/76/377971276.db2.gz NEWMGBBLFXSTIN-AWEZNQCLSA-N -1 3 299.345 3.469 20 0 CGADHM Cc1cccc(C(=O)N2CC[C@H](c3cccc(F)c3)C2)c1[O-] ZINC000264301851 377973826 /nfs/dbraw/zinc/97/38/26/377973826.db2.gz VSFJMSXFBUGKLT-AWEZNQCLSA-N -1 3 299.345 3.469 20 0 CGADHM C[C@@H]1C[C@@H](C)CCN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000265960166 190219204 /nfs/dbraw/zinc/21/92/04/190219204.db2.gz YGZKBDYESJDDTI-NWDGAFQWSA-N -1 3 284.359 3.201 20 0 CGADHM FC(F)(F)c1csc(=NC[C@@H]2CCCCS2)[n-]1 ZINC000343601358 378035149 /nfs/dbraw/zinc/03/51/49/378035149.db2.gz LMZVFIWXSODUDN-ZETCQYMHSA-N -1 3 282.356 3.281 20 0 CGADHM [O-]c1ccc(-c2noc(C[C@@H]3CC[C@H]4C[C@H]43)n2)cc1 ZINC000578903021 378112702 /nfs/dbraw/zinc/11/27/02/378112702.db2.gz WYLIUBKPOZUGHV-GMXVVIOVSA-N -1 3 256.305 3.031 20 0 CGADHM C[C@@H](CN(C)Cc1ccc(C(=O)[O-])s1)c1nccs1 ZINC000565103600 322060644 /nfs/dbraw/zinc/06/06/44/322060644.db2.gz HJVFJPPVHUMRSC-VIFPVBQESA-N -1 3 296.417 3.138 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)Sc2nccn2C(C)C)n1 ZINC000269091742 378186642 /nfs/dbraw/zinc/18/66/42/378186642.db2.gz ZHHYTFUGSKHTGI-SNVBAGLBSA-N -1 3 278.381 3.121 20 0 CGADHM CN(CCOCC1CCCC1)Cc1ccc(C(=O)[O-])cc1 ZINC000579721049 378186866 /nfs/dbraw/zinc/18/68/66/378186866.db2.gz WKEPVCZPGZUEGD-UHFFFAOYSA-N -1 3 291.391 3.023 20 0 CGADHM CC(C)(C)CC[C@@H](NCc1cccc(F)c1F)C(=O)[O-] ZINC000579426383 378158950 /nfs/dbraw/zinc/15/89/50/378158950.db2.gz CNTRBEHTRLJOCU-GFCCVEGCSA-N -1 3 285.334 3.334 20 0 CGADHM CCCc1ccc(CN2CCSC[C@H]2CC(=O)[O-])cc1 ZINC000580336497 378243587 /nfs/dbraw/zinc/24/35/87/378243587.db2.gz QBRBVUMIZAEIBS-OAHLLOKOSA-N -1 3 293.432 3.031 20 0 CGADHM Cc1oc(C(=O)[O-])cc1CN1CC[C@H](C)C(C)(C)C1 ZINC000580838372 378262115 /nfs/dbraw/zinc/26/21/15/378262115.db2.gz FYGAWJMAWXMLAS-JTQLQIEISA-N -1 3 265.353 3.154 20 0 CGADHM C[C@@H]1CC[C@@H](C(=O)Nc2cc(Cl)ccc2[O-])C1 ZINC000345567441 378312845 /nfs/dbraw/zinc/31/28/45/378312845.db2.gz BJWXFIBOJSLOMA-RKDXNWHRSA-N -1 3 253.729 3.420 20 0 CGADHM Cc1cc([C@H](C)N2CCC(C)(C)C2)oc1C(=O)[O-] ZINC000583504986 378328007 /nfs/dbraw/zinc/32/80/07/378328007.db2.gz NPYSKHKFUAPNDW-JTQLQIEISA-N -1 3 251.326 3.079 20 0 CGADHM C[C@H](CN(C)Cc1cc(C(=O)[O-])co1)c1ccccc1 ZINC000583758101 378344431 /nfs/dbraw/zinc/34/44/31/378344431.db2.gz TXYOSWLSQHTIEI-GFCCVEGCSA-N -1 3 273.332 3.213 20 0 CGADHM CC[C@@H](OC1CCCCC1)C(=O)Nc1nc(C)ccc1[O-] ZINC000345922715 378409158 /nfs/dbraw/zinc/40/91/58/378409158.db2.gz FWYFNVSSSIFKRW-CQSZACIVSA-N -1 3 292.379 3.162 20 0 CGADHM Cc1ccc([O-])c(NC(=O)[C@H](c2ccccc2)C(C)C)n1 ZINC000345922769 378409561 /nfs/dbraw/zinc/40/95/61/378409561.db2.gz GHHKMWAYGAVHTL-HNNXBMFYSA-N -1 3 284.359 3.474 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2cccc(C(F)F)c2)n1 ZINC000345921826 378409569 /nfs/dbraw/zinc/40/95/69/378409569.db2.gz FBUBQJBKUFNZOO-UHFFFAOYSA-N -1 3 278.258 3.286 20 0 CGADHM Cc1ccc([O-])c(NC(=O)CSc2ccccc2C)n1 ZINC000345933313 378413590 /nfs/dbraw/zinc/41/35/90/378413590.db2.gz SKWDYIKSRBVYPA-UHFFFAOYSA-N -1 3 288.372 3.135 20 0 CGADHM CC(C)[C@H](C)CC(=O)N1CCCc2cccc([O-])c21 ZINC000271004855 378426679 /nfs/dbraw/zinc/42/66/79/378426679.db2.gz YYSOWQCVOBXIOO-GFCCVEGCSA-N -1 3 261.365 3.354 20 0 CGADHM Cc1noc([N-]C(=O)[C@@H](C)OCc2cccc(C)c2)c1C ZINC000636924884 378438699 /nfs/dbraw/zinc/43/86/99/378438699.db2.gz KCQOPPVOIRPKEJ-CYBMUJFWSA-N -1 3 288.347 3.144 20 0 CGADHM CC[C@H]1CC[C@H](C)N1C(=O)c1c[n-]c2ccccc2c1=O ZINC000271395830 378491957 /nfs/dbraw/zinc/49/19/57/378491957.db2.gz LZIFYWSKDQJHTG-RYUDHWBXSA-N -1 3 284.359 3.344 20 0 CGADHM Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)c1ccc([O-])c(C)c1 ZINC000272560379 378664515 /nfs/dbraw/zinc/66/45/15/378664515.db2.gz BVBJODLLKSODCO-CQSZACIVSA-N -1 3 299.374 3.018 20 0 CGADHM COc1cc(C(=O)N[C@H](C)[C@H](C)c2ccccc2)ccc1[O-] ZINC000272615781 378678105 /nfs/dbraw/zinc/67/81/05/378678105.db2.gz PFTFBLIWWFXZLG-QWHCGFSZSA-N -1 3 299.370 3.323 20 0 CGADHM CC[C@H]1C[C@H](CC(=O)Nc2cc(F)ccc2[O-])CCO1 ZINC000272868952 378715736 /nfs/dbraw/zinc/71/57/36/378715736.db2.gz SZIXMSBSBHMEQP-PWSUYJOCSA-N -1 3 281.327 3.065 20 0 CGADHM Cc1ccc2c(c1C)OC[C@H]2NCc1cc([O-])cc(F)c1 ZINC000274440682 378834326 /nfs/dbraw/zinc/83/43/26/378834326.db2.gz OTIZHXLKKAFHMN-MRXNPFEDSA-N -1 3 287.334 3.371 20 0 CGADHM COCCCCC(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000274349990 378817134 /nfs/dbraw/zinc/81/71/34/378817134.db2.gz HJPVIFXIFIXMHA-LBPRGKRZSA-N -1 3 277.364 3.049 20 0 CGADHM O=C(NCc1ncccc1[O-])Nc1cccc2ccsc21 ZINC000346871660 218042370 /nfs/dbraw/zinc/04/23/70/218042370.db2.gz MWNATFYRTUWOCQ-UHFFFAOYSA-N -1 3 299.355 3.324 20 0 CGADHM Cc1nc([C@H]2CCCN2Cc2nc(C)ccc2[O-])cs1 ZINC000275140020 378943348 /nfs/dbraw/zinc/94/33/48/378943348.db2.gz NSZGOTCGNJBBCW-CQSZACIVSA-N -1 3 289.404 3.198 20 0 CGADHM CCCc1ccccc1NC(=O)NCc1ncccc1[O-] ZINC000348540938 378984095 /nfs/dbraw/zinc/98/40/95/378984095.db2.gz OOEALOAJURXCHQ-UHFFFAOYSA-N -1 3 285.347 3.061 20 0 CGADHM COc1cc(C(=O)NC2CCC(C)(C)CC2)ccc1[O-] ZINC000276881575 379012593 /nfs/dbraw/zinc/01/25/93/379012593.db2.gz GHQBXRPNYSMXSZ-UHFFFAOYSA-N -1 3 277.364 3.099 20 0 CGADHM CN(Cc1cccc2ccccc21)C(=O)c1csc(=O)[n-]1 ZINC000348930890 379114461 /nfs/dbraw/zinc/11/44/61/379114461.db2.gz IFWJYKUWCBHIIM-UHFFFAOYSA-N -1 3 298.367 3.274 20 0 CGADHM Cc1c(NCc2cc([O-])cc(F)c2)cnn1CC(C)C ZINC000349704621 379352152 /nfs/dbraw/zinc/35/21/52/379352152.db2.gz SFPSXSZZDNRHNP-UHFFFAOYSA-N -1 3 277.343 3.304 20 0 CGADHM CCSCC[C@H](C)N(C)C(=O)c1ccc(C)cc1[O-] ZINC000266661734 190274049 /nfs/dbraw/zinc/27/40/49/190274049.db2.gz LVOOBQKNNGDGQG-LBPRGKRZSA-N -1 3 281.421 3.304 20 0 CGADHM Cc1cc([C@H](C)N2CCCCCC2)oc1C(=O)[O-] ZINC000570051465 322263733 /nfs/dbraw/zinc/26/37/33/322263733.db2.gz PZPOIIWVBJKXJO-NSHDSACASA-N -1 3 251.326 3.223 20 0 CGADHM [O-]c1ccc(-c2noc(/C=C/c3cncs3)n2)cc1 ZINC000350583340 379567048 /nfs/dbraw/zinc/56/70/48/379567048.db2.gz RPWGPUWGYAFOFL-AATRIKPKSA-N -1 3 271.301 3.069 20 0 CGADHM CCC[C@@](C)(CC)C(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000280003570 379577402 /nfs/dbraw/zinc/57/74/02/379577402.db2.gz IBGVJNUDZJBINA-OAHLLOKOSA-N -1 3 287.367 3.022 20 0 CGADHM CCC[C@@](C)(CC)C(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000280003570 379577409 /nfs/dbraw/zinc/57/74/09/379577409.db2.gz IBGVJNUDZJBINA-OAHLLOKOSA-N -1 3 287.367 3.022 20 0 CGADHM CCC[C@@](C)(CC)C(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000280003570 379577413 /nfs/dbraw/zinc/57/74/13/379577413.db2.gz IBGVJNUDZJBINA-OAHLLOKOSA-N -1 3 287.367 3.022 20 0 CGADHM CCC[C@@](C)(CC)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000280374986 379691147 /nfs/dbraw/zinc/69/11/47/379691147.db2.gz VPRQADOMRNNDIP-OAHLLOKOSA-N -1 3 287.367 3.022 20 0 CGADHM CCC[C@@](C)(CC)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000280374986 379691160 /nfs/dbraw/zinc/69/11/60/379691160.db2.gz VPRQADOMRNNDIP-OAHLLOKOSA-N -1 3 287.367 3.022 20 0 CGADHM C[C@@H]1C[C@@H]1[C@H]([N-]C(=O)C(F)F)c1ccc(Cl)cc1 ZINC000279007026 194248479 /nfs/dbraw/zinc/24/84/79/194248479.db2.gz HESMYDWIUJUJJG-PPKCKEKNSA-N -1 3 273.710 3.418 20 0 CGADHM COc1cccc(-c2nc(CC3CC(F)(F)C3)no2)c1[O-] ZINC000351161332 379666471 /nfs/dbraw/zinc/66/64/71/379666471.db2.gz BLRISICETUUHND-UHFFFAOYSA-N -1 3 296.273 3.039 20 0 CGADHM CCCOc1ccc(NC([O-])=NOCCSC)c(C)c1 ZINC000280498407 379717838 /nfs/dbraw/zinc/71/78/38/379717838.db2.gz KSLPSMRYAPGECV-UHFFFAOYSA-N -1 3 298.408 3.200 20 0 CGADHM CCCOc1ccc(NC(=O)[N-]OCCSC)c(C)c1 ZINC000280498407 379717845 /nfs/dbraw/zinc/71/78/45/379717845.db2.gz KSLPSMRYAPGECV-UHFFFAOYSA-N -1 3 298.408 3.200 20 0 CGADHM CSCCON=C([O-])Nc1cc(Cl)ccc1Cl ZINC000280510698 379722808 /nfs/dbraw/zinc/72/28/08/379722808.db2.gz LWZGHBSSZXIJCN-UHFFFAOYSA-N -1 3 295.191 3.410 20 0 CGADHM CSCCO[N-]C(=O)Nc1cc(Cl)ccc1Cl ZINC000280510698 379722811 /nfs/dbraw/zinc/72/28/11/379722811.db2.gz LWZGHBSSZXIJCN-UHFFFAOYSA-N -1 3 295.191 3.410 20 0 CGADHM Cc1ccc([O-])c(CN2CCC[C@H](Oc3ccccc3)C2)n1 ZINC000352320467 379764569 /nfs/dbraw/zinc/76/45/69/379764569.db2.gz QJROQAVHXGRIEA-INIZCTEOSA-N -1 3 298.386 3.139 20 0 CGADHM CC1=C(C(=O)N2CCCc3cccc([O-])c32)CCC1 ZINC000352666111 379900761 /nfs/dbraw/zinc/90/07/61/379900761.db2.gz VDVXJRJNZVZXEV-UHFFFAOYSA-N -1 3 257.333 3.172 20 0 CGADHM C[C@@H](OCc1ccccc1)C(=O)Nc1ccc([O-])cc1F ZINC000347856279 218379547 /nfs/dbraw/zinc/37/95/47/218379547.db2.gz CSSPNUOFYMGMSK-LLVKDONJSA-N -1 3 289.306 3.075 20 0 CGADHM [O-]c1cccc(CN2C3CCC2CC3)c1Br ZINC000398873937 379931443 /nfs/dbraw/zinc/93/14/43/379931443.db2.gz BAXNUNWSTNSSPG-UHFFFAOYSA-N -1 3 282.181 3.282 20 0 CGADHM Cc1oc(CN(C)C[C@H](C)C(C)(C)C)cc1C(=O)[O-] ZINC000399375075 379939515 /nfs/dbraw/zinc/93/95/15/379939515.db2.gz GMUZMYUNTGBKOE-JTQLQIEISA-N -1 3 267.369 3.400 20 0 CGADHM Cc1ccc(NC(=O)[C@@](C)(O)CCc2ccccc2)c([O-])c1 ZINC000282951863 380015351 /nfs/dbraw/zinc/01/53/51/380015351.db2.gz UBTCNOGWHXCICD-SFHVURJKSA-N -1 3 299.370 3.023 20 0 CGADHM [O-]c1cccnc1CNCc1cccc2ccccc21 ZINC000347905937 218394306 /nfs/dbraw/zinc/39/43/06/218394306.db2.gz IVEHFPDLKHJCHV-UHFFFAOYSA-N -1 3 264.328 3.230 20 0 CGADHM O=C(c1ccccc1[O-])N(C1CC1)C1CCCCC1 ZINC000642061405 380135666 /nfs/dbraw/zinc/13/56/66/380135666.db2.gz GCEFUBSKCNESHZ-UHFFFAOYSA-N -1 3 259.349 3.330 20 0 CGADHM COc1cc(C(=O)N[C@H](c2ccccc2)C2CC2)ccc1[O-] ZINC000268064018 190373635 /nfs/dbraw/zinc/37/36/35/190373635.db2.gz GBXAXKALCJMWCL-QGZVFWFLSA-N -1 3 297.354 3.282 20 0 CGADHM COc1ccc(C)cc1COc1cc2occ([O-])c2c(C)c1 ZINC000642609561 380179054 /nfs/dbraw/zinc/17/90/54/380179054.db2.gz QNYZSWDDBSQWIB-UHFFFAOYSA-N -1 3 298.338 3.466 20 0 CGADHM C[C@H]1[C@H](C(F)(F)F)CCN1Cc1c(F)ccc([O-])c1F ZINC000353256700 380192931 /nfs/dbraw/zinc/19/29/31/380192931.db2.gz IUHRNTCHLVZKCR-IONNQARKSA-N -1 3 295.251 3.443 20 0 CGADHM CC(=O)c1ccc(C(=O)N[C@@H]2CC[C@@H](C)C[C@@H]2C)cc1[O-] ZINC000412111076 380158458 /nfs/dbraw/zinc/15/84/58/380158458.db2.gz FOOXRDBTKBHWCX-JRPNMDOOSA-N -1 3 289.375 3.149 20 0 CGADHM CCc1cccc(Cl)c1CNCCCCC(=O)[O-] ZINC000414685808 380372537 /nfs/dbraw/zinc/37/25/37/380372537.db2.gz UCNABRWNBARZDM-UHFFFAOYSA-N -1 3 269.772 3.247 20 0 CGADHM CCOc1c(Cl)cccc1CN1CC[C@@](C)(C(=O)[O-])C1 ZINC000414647843 380350978 /nfs/dbraw/zinc/35/09/78/380350978.db2.gz AHDDKUCVUAFWBX-OAHLLOKOSA-N -1 3 297.782 3.035 20 0 CGADHM CC(C)c1ccccc1N(C)C(=O)c1cccc2nn[n-]c21 ZINC000644585027 380454863 /nfs/dbraw/zinc/45/48/63/380454863.db2.gz BEGMNMHSYAETAE-UHFFFAOYSA-N -1 3 294.358 3.358 20 0 CGADHM CC(C)c1ccccc1N(C)C(=O)c1cccc2[n-]nnc21 ZINC000644585027 380454867 /nfs/dbraw/zinc/45/48/67/380454867.db2.gz BEGMNMHSYAETAE-UHFFFAOYSA-N -1 3 294.358 3.358 20 0 CGADHM CC(C)c1ccccc1N(C)C(=O)c1cccc2n[n-]nc21 ZINC000644585027 380454872 /nfs/dbraw/zinc/45/48/72/380454872.db2.gz BEGMNMHSYAETAE-UHFFFAOYSA-N -1 3 294.358 3.358 20 0 CGADHM Cc1ccc([O-])c(CN(C)Cc2c(F)cccc2F)n1 ZINC000354343391 380406182 /nfs/dbraw/zinc/40/61/82/380406182.db2.gz NGIWRWRJDCYSPR-UHFFFAOYSA-N -1 3 278.302 3.006 20 0 CGADHM CCc1ccc([O-])c(C(=O)N(C)[C@@H](C)C2(C)CC2)c1 ZINC000354767968 380553694 /nfs/dbraw/zinc/55/36/94/380553694.db2.gz XQIJGLRJRKRTHE-NSHDSACASA-N -1 3 261.365 3.215 20 0 CGADHM COc1ccc(F)c(CN[C@H](C)CCC[C@@H](C)C(=O)[O-])c1 ZINC000417530024 380632802 /nfs/dbraw/zinc/63/28/02/380632802.db2.gz HFZVUACASLHMIO-VXGBXAGGSA-N -1 3 297.370 3.203 20 0 CGADHM C[C@@H](NCc1ccc(F)c(Cl)c1Cl)[C@@H](C)C(=O)[O-] ZINC000417607187 380648328 /nfs/dbraw/zinc/64/83/28/380648328.db2.gz MEPJCETXQXAOMY-RNFRBKRXSA-N -1 3 294.153 3.331 20 0 CGADHM C[C@@H](NCc1cccc(Cl)c1Cl)[C@H](C)C(=O)[O-] ZINC000417596597 380646403 /nfs/dbraw/zinc/64/64/03/380646403.db2.gz AKBWAPYXYWFBBL-JGVFFNPUSA-N -1 3 276.163 3.192 20 0 CGADHM COc1cccc(CN[C@@H](CCC(=O)[O-])c2ccccc2)c1 ZINC000417600505 380646772 /nfs/dbraw/zinc/64/67/72/380646772.db2.gz JWGDGCLLIYXBMV-KRWDZBQOSA-N -1 3 299.370 3.391 20 0 CGADHM O=C([O-])[C@H](CC1CCC1)NCc1ccc(F)cc1Cl ZINC000417709737 380668952 /nfs/dbraw/zinc/66/89/52/380668952.db2.gz UBPZXARCFMEXHJ-ZDUSSCGKSA-N -1 3 285.746 3.212 20 0 CGADHM C[C@H]1[C@@H](C)N(Cc2c(F)ccc([O-])c2F)C[C@H]1C ZINC000418123741 380705358 /nfs/dbraw/zinc/70/53/58/380705358.db2.gz LQFKZUIBUYATEO-OPRDCNLKSA-N -1 3 255.308 3.147 20 0 CGADHM O=C([O-])[C@@H](NCc1ccc(-c2ccccc2)cc1F)C1CC1 ZINC000417609064 380650310 /nfs/dbraw/zinc/65/03/10/380650310.db2.gz PMDFRQCGPKTSFO-KRWDZBQOSA-N -1 3 299.345 3.446 20 0 CGADHM Cc1ccc(CN[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc1 ZINC000417624182 380656638 /nfs/dbraw/zinc/65/66/38/380656638.db2.gz QFTZEMCWISGEJN-SJORKVTESA-N -1 3 281.355 3.398 20 0 CGADHM C[C@@H](CNCc1c(Cl)oc2ccccc21)CC(=O)[O-] ZINC000417630944 380658224 /nfs/dbraw/zinc/65/82/24/380658224.db2.gz YMOZKULJXSRFTH-SECBINFHSA-N -1 3 281.739 3.287 20 0 CGADHM CC[C@@H]1CC[C@H](C)N(C(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC000334761161 207033193 /nfs/dbraw/zinc/03/31/93/207033193.db2.gz JFISICRJTICHDG-QWHCGFSZSA-N -1 3 298.386 3.179 20 0 CGADHM Cc1ccc([O-])c(CN2CCC[C@@H](CC(F)(F)F)C2)n1 ZINC000421392656 380940327 /nfs/dbraw/zinc/94/03/27/380940327.db2.gz QVNCFOZVNNJWJX-NSHDSACASA-N -1 3 288.313 3.260 20 0 CGADHM Cc1cccc([O-])c1NC(=O)CO[C@H]1CCCC[C@@H]1C ZINC000357093718 381026614 /nfs/dbraw/zinc/02/66/14/381026614.db2.gz LRCNPWXJEOYAKX-FZMZJTMJSA-N -1 3 277.364 3.234 20 0 CGADHM C[C@@H]1CCCC[C@@H]1CCNC(=O)c1cccc([O-])c1 ZINC000357303837 381098891 /nfs/dbraw/zinc/09/88/91/381098891.db2.gz HTCOVXOVOGOYPM-CHWSQXEVSA-N -1 3 261.365 3.338 20 0 CGADHM O=C(NCCc1ccc(F)cc1Cl)c1cccc([O-])c1 ZINC000357354717 381123422 /nfs/dbraw/zinc/12/34/22/381123422.db2.gz JNQBZBLIWYXDDS-UHFFFAOYSA-N -1 3 293.725 3.157 20 0 CGADHM CCOc1cccc([C@@H]2C[C@@H]2NC(=O)c2cccc([O-])c2)c1 ZINC000357470534 381171574 /nfs/dbraw/zinc/17/15/74/381171574.db2.gz DJXOBGRMRRVCIJ-IRXDYDNUSA-N -1 3 297.354 3.077 20 0 CGADHM CC(C)c1scnc1[N-]C(=O)c1cc(C2CC2)no1 ZINC000289066064 197226185 /nfs/dbraw/zinc/22/61/85/197226185.db2.gz GOCULLVBAWPKDF-UHFFFAOYSA-N -1 3 277.349 3.384 20 0 CGADHM Cc1ccc2c(c1)N(Cc1nc(C)ccc1[O-])C[C@H](C)O2 ZINC000362099431 381884572 /nfs/dbraw/zinc/88/45/72/381884572.db2.gz UNSGLDUXOCQDDJ-ZDUSSCGKSA-N -1 3 284.359 3.192 20 0 CGADHM O=C(NCc1ccc([O-])c(F)c1)c1cc[nH]c1C1CCC1 ZINC000362937637 382156321 /nfs/dbraw/zinc/15/63/21/382156321.db2.gz BHBMBQXHSVKNGP-UHFFFAOYSA-N -1 3 288.322 3.057 20 0 CGADHM O=C(c1cc([O-])ccc1C(F)(F)F)N1CC[C@@H](C2CC2)C1 ZINC000366395160 382306984 /nfs/dbraw/zinc/30/69/84/382306984.db2.gz JOLPMMXKOXJETC-SNVBAGLBSA-N -1 3 299.292 3.283 20 0 CGADHM CCc1cc(C(=O)N2CC3(CCC3)C[C@H]2C)ccc1[O-] ZINC000368030993 382363491 /nfs/dbraw/zinc/36/34/91/382363491.db2.gz SXQAHOUMHCAUPY-GFCCVEGCSA-N -1 3 273.376 3.359 20 0 CGADHM Cc1nc(C)c(CNC(=O)c2cc([O-])c3ccccc3c2)o1 ZINC000353726528 220285696 /nfs/dbraw/zinc/28/56/96/220285696.db2.gz YOOCWJOXNPRZAI-UHFFFAOYSA-N -1 3 296.326 3.080 20 0 CGADHM CC[C@@H]1C[C@H]1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000281711605 542384506 /nfs/dbraw/zinc/38/45/06/542384506.db2.gz DLRSJTYYODTJPM-QMTHXVAHSA-N -1 3 255.317 3.074 20 0 CGADHM CCc1ccc(-c2nc(CCCOC(C)C)no2)c([O-])c1 ZINC000288896249 197188457 /nfs/dbraw/zinc/18/84/57/197188457.db2.gz AYNYJPFZQKIGFZ-UHFFFAOYSA-N -1 3 290.363 3.362 20 0 CGADHM COC[C@H]1CCCCN1Cc1cccc([O-])c1Cl ZINC000307766114 542422364 /nfs/dbraw/zinc/42/23/64/542422364.db2.gz DDEQAKHQLFJXJY-GFCCVEGCSA-N -1 3 269.772 3.047 20 0 CGADHM COc1ccc(NC(=O)c2csc(Cl)c2)c([O-])c1 ZINC000335339442 542466831 /nfs/dbraw/zinc/46/68/31/542466831.db2.gz QZSDLYRKLHCNCP-UHFFFAOYSA-N -1 3 283.736 3.368 20 0 CGADHM O=C(Cc1ccco1)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000340317935 542490515 /nfs/dbraw/zinc/49/05/15/542490515.db2.gz RGKLHWYCBRICLD-UHFFFAOYSA-N -1 3 285.221 3.185 20 0 CGADHM Cc1ccc(CNC(=O)c2cc([O-])c3ccccc3c2)cn1 ZINC000339433320 542489165 /nfs/dbraw/zinc/48/91/65/542489165.db2.gz OMWUIFVDVJABMF-UHFFFAOYSA-N -1 3 292.338 3.179 20 0 CGADHM Cc1ccc2[n-]cc(C(=O)N3C[C@H](C)CC3(C)C)c(=O)c2c1 ZINC000342065501 542496294 /nfs/dbraw/zinc/49/62/94/542496294.db2.gz RSPVPZNXDSAPOX-GFCCVEGCSA-N -1 3 298.386 3.097 20 0 CGADHM Cc1cc(C)cc(-c2nc3ccc(O)cc3c(=O)[n-]2)c1 ZINC000351860499 542552116 /nfs/dbraw/zinc/55/21/16/542552116.db2.gz ITYLJPRJCZSKPW-UHFFFAOYSA-N -1 3 266.300 3.325 20 0 CGADHM [O-]c1ccc(F)c(CN2CCC[C@@H]2C2CCOCC2)c1F ZINC000334211861 285384862 /nfs/dbraw/zinc/38/48/62/285384862.db2.gz HMDPJURKIULKCV-CQSZACIVSA-N -1 3 297.345 3.061 20 0 CGADHM COc1cccc(-c2nc(-c3ccoc3C)no2)c1[O-] ZINC000165728009 533370293 /nfs/dbraw/zinc/37/02/93/533370293.db2.gz SOALTXSAJOTOCD-UHFFFAOYSA-N -1 3 272.260 3.019 20 0 CGADHM COc1ccc(C)cc1Cc1noc(-c2ccccc2[O-])n1 ZINC000436996262 533390991 /nfs/dbraw/zinc/39/09/91/533390991.db2.gz GANQNMOYAATOOG-UHFFFAOYSA-N -1 3 296.326 3.350 20 0 CGADHM Cc1ccc(C(=O)N[C@H]2C[C@H]2Cc2ccccc2)c([O-])c1C ZINC000439955136 533601825 /nfs/dbraw/zinc/60/18/25/533601825.db2.gz BBMOQWPOGMNFKI-WBVHZDCISA-N -1 3 295.382 3.370 20 0 CGADHM Cc1ccc(C(=O)N[C@H](C)c2ccncc2F)c([O-])c1C ZINC000436689961 533591279 /nfs/dbraw/zinc/59/12/79/533591279.db2.gz TTWCJBBSXIMMAT-LLVKDONJSA-N -1 3 288.322 3.034 20 0 CGADHM COc1ccc(CN2CCC[C@H](C)[C@@H]2C(=O)[O-])c(Cl)c1 ZINC000424273462 533557881 /nfs/dbraw/zinc/55/78/81/533557881.db2.gz SYTRQFNRMFYJMX-IINYFYTJSA-N -1 3 297.782 3.034 20 0 CGADHM Cc1ccc(C(=O)Nc2cccc3[nH]ccc32)c([O-])c1 ZINC000170776166 533615243 /nfs/dbraw/zinc/61/52/43/533615243.db2.gz KAJVQXGGRCSWPS-UHFFFAOYSA-N -1 3 266.300 3.434 20 0 CGADHM COc1cc(C)ccc1CNCc1ccc([O-])c(F)c1 ZINC000449165722 533671105 /nfs/dbraw/zinc/67/11/05/533671105.db2.gz XJVLNTQETLOHPH-UHFFFAOYSA-N -1 3 275.323 3.138 20 0 CGADHM CC(=O)CC(C)(C)CC(=O)Nc1ccc(C)cc1[O-] ZINC000191662716 130273583 /nfs/dbraw/zinc/27/35/83/130273583.db2.gz RBFFXVYTNIKNJD-UHFFFAOYSA-N -1 3 263.337 3.035 20 0 CGADHM CC(C)c1ccc(C(=O)NCc2ccco2)c([O-])c1 ZINC000048369334 391999106 /nfs/dbraw/zinc/99/91/06/391999106.db2.gz RLCMITLXYLDTSC-UHFFFAOYSA-N -1 3 259.305 3.039 20 0 CGADHM COc1ccc([O-])c(C(=O)N[C@H](C)C2CCCCC2)c1 ZINC000052343707 392078794 /nfs/dbraw/zinc/07/87/94/392078794.db2.gz MEOJCERNGSQMHO-LLVKDONJSA-N -1 3 277.364 3.099 20 0 CGADHM CCCCc1nnc([N-]C(=O)c2cnc(CC)s2)s1 ZINC000049175208 392036866 /nfs/dbraw/zinc/03/68/66/392036866.db2.gz VHHLMJWLCQPPOO-UHFFFAOYSA-N -1 3 296.421 3.152 20 0 CGADHM O=C(NCCc1ccccc1Cl)c1ccccc1[O-] ZINC000049402756 392045834 /nfs/dbraw/zinc/04/58/34/392045834.db2.gz FPSMEYFVGLYLAU-UHFFFAOYSA-N -1 3 275.735 3.018 20 0 CGADHM Cc1noc(C)c1[N-]C(=O)c1cnnc(-c2ccccc2)c1 ZINC000361717380 392302739 /nfs/dbraw/zinc/30/27/39/392302739.db2.gz ORCDCBCOTAMEQG-UHFFFAOYSA-N -1 3 294.314 3.001 20 0 CGADHM O=c1[nH]c(CCCc2ccsc2)nc2ccc([O-])cc12 ZINC000436823806 542658806 /nfs/dbraw/zinc/65/88/06/542658806.db2.gz XFHBEXLFLYQNBK-UHFFFAOYSA-N -1 3 286.356 3.278 20 0 CGADHM COc1ccc(NC(=O)c2cc(Cl)ccc2F)c([O-])c1 ZINC000443556943 542667386 /nfs/dbraw/zinc/66/73/86/542667386.db2.gz HEQFCYCDCWFODJ-UHFFFAOYSA-N -1 3 295.697 3.446 20 0 CGADHM COc1ccc(NC(=O)c2cc(C)c(F)c(C)c2)c([O-])c1 ZINC000443563929 542666452 /nfs/dbraw/zinc/66/64/52/542666452.db2.gz YKXJWIOPUGHOKK-UHFFFAOYSA-N -1 3 289.306 3.409 20 0 CGADHM COc1ccc(NC(=O)[C@@H]2CCC(C)(C)C2)c([O-])c1 ZINC000443559285 542666866 /nfs/dbraw/zinc/66/68/66/542666866.db2.gz MOUHFGSJCLYQSB-SNVBAGLBSA-N -1 3 263.337 3.166 20 0 CGADHM COc1ccc(NC(=O)[C@H](C)CC(C)C)c([O-])c1 ZINC000443562951 542667000 /nfs/dbraw/zinc/66/70/00/542667000.db2.gz WKAPJONYZXLVSP-SNVBAGLBSA-N -1 3 251.326 3.022 20 0 CGADHM Cc1noc([N-]C(=O)c2coc3ccc(C(C)C)cc23)n1 ZINC000285953821 392353840 /nfs/dbraw/zinc/35/38/40/392353840.db2.gz IYDTVLWUDFPHJI-UHFFFAOYSA-N -1 3 285.303 3.500 20 0 CGADHM COc1ccc(NC(=O)[C@@]2(C)CCC[C@H]2C)c([O-])c1 ZINC000451247489 542674767 /nfs/dbraw/zinc/67/47/67/542674767.db2.gz MLJGCBDYCOCOOZ-BMIGLBTASA-N -1 3 263.337 3.166 20 0 CGADHM O=C([N-]CCc1csc2ccccc12)C(F)(F)F ZINC000263656092 131303345 /nfs/dbraw/zinc/30/33/45/131303345.db2.gz HLXINEXTLHNABC-UHFFFAOYSA-N -1 3 273.279 3.122 20 0 CGADHM Cc1ccc(-c2nc(C(=O)[N-]c3nocc3C)cs2)o1 ZINC000124037874 392432565 /nfs/dbraw/zinc/43/25/65/392432565.db2.gz GXUOSRKXJPWDPD-UHFFFAOYSA-N -1 3 289.316 3.260 20 0 CGADHM CCC1(C)CN(C(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000291148071 392458195 /nfs/dbraw/zinc/45/81/95/392458195.db2.gz YNNWGRZNMJQCGE-UHFFFAOYSA-N -1 3 269.344 3.418 20 0 CGADHM CCSc1cccc(NC([O-])=NOC(C)C)c1 ZINC000296634770 392562474 /nfs/dbraw/zinc/56/24/74/392562474.db2.gz LWPLOBKEXSXYCQ-UHFFFAOYSA-N -1 3 254.355 3.260 20 0 CGADHM CCSc1cccc(NC(=O)[N-]OC(C)C)c1 ZINC000296634770 392562482 /nfs/dbraw/zinc/56/24/82/392562482.db2.gz LWPLOBKEXSXYCQ-UHFFFAOYSA-N -1 3 254.355 3.260 20 0 CGADHM Cc1ccc(F)c(S(=O)(=O)[N-]C2(C)CCC(C)CC2)c1 ZINC000504478687 392632111 /nfs/dbraw/zinc/63/21/11/392632111.db2.gz YWMCHDZHTXWXLX-UHFFFAOYSA-N -1 3 299.411 3.381 20 0 CGADHM CCc1[n-][nH]c(=NC(=O)[C@H]2CC[C@H](C(C)C)CC2)c1C ZINC000330392943 392692934 /nfs/dbraw/zinc/69/29/34/392692934.db2.gz JPSKSCMQWYAVHU-JOCQHMNTSA-N -1 3 277.412 3.103 20 0 CGADHM CCc1cc(N2CCC(C)(C(=O)[O-])CC2)c2ccccc2n1 ZINC000647457567 392727172 /nfs/dbraw/zinc/72/71/72/392727172.db2.gz PJCGASOICOMFPF-UHFFFAOYSA-N -1 3 298.386 3.488 20 0 CGADHM Cc1ccc([C@@H](C)N(C)C(=O)/C=C/c2cncc([O-])c2)cc1 ZINC000181871577 392737314 /nfs/dbraw/zinc/73/73/14/392737314.db2.gz DAYBEEURZIWDNN-VIIAAUOXSA-N -1 3 296.370 3.328 20 0 CGADHM [O-]c1cc(F)cc(CN2CCC(c3ccccn3)CC2)c1 ZINC000375225498 392751090 /nfs/dbraw/zinc/75/10/90/392751090.db2.gz GHTDWSPYZYPMCP-UHFFFAOYSA-N -1 3 286.350 3.306 20 0 CGADHM [O-]c1ccc(F)c(CN2CC[C@@H](c3cccnc3)C2)c1F ZINC000335443233 392793224 /nfs/dbraw/zinc/79/32/24/392793224.db2.gz LNKHVYVBVVPIKR-GFCCVEGCSA-N -1 3 290.313 3.055 20 0 CGADHM C[C@H]1CCC[C@H](CC(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)C1 ZINC000647796083 392800017 /nfs/dbraw/zinc/80/00/17/392800017.db2.gz HXTAOHFJCISGIA-QWRGUYRKSA-N -1 3 287.363 3.423 20 0 CGADHM CCCc1ccc(C(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)cc1 ZINC000647801295 392802997 /nfs/dbraw/zinc/80/29/97/392802997.db2.gz JKZJIPWUOJFTFF-UHFFFAOYSA-N -1 3 295.342 3.473 20 0 CGADHM CCC[C@@H](C)CC(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000647802829 392804790 /nfs/dbraw/zinc/80/47/90/392804790.db2.gz VAETYGWHFQQUGZ-SECBINFHSA-N -1 3 261.325 3.033 20 0 CGADHM C[C@H](CNCc1c(F)ccc([O-])c1F)Oc1ccccc1 ZINC000511163087 392830485 /nfs/dbraw/zinc/83/04/85/392830485.db2.gz VPPQJNYOLLKGBV-LLVKDONJSA-N -1 3 293.313 3.228 20 0 CGADHM CCC[C@@H](CC)S(=O)(=O)[N-]c1ccc(C)cc1OC ZINC000647922831 392834816 /nfs/dbraw/zinc/83/48/16/392834816.db2.gz JEUMZLMAOQVRDK-GFCCVEGCSA-N -1 3 285.409 3.324 20 0 CGADHM CC1(C)CCCC[C@@H]1C(=O)NCc1ccc([O-])c(F)c1 ZINC000194367965 392915959 /nfs/dbraw/zinc/91/59/59/392915959.db2.gz HOXODIGWBWZVTA-GFCCVEGCSA-N -1 3 279.355 3.364 20 0 CGADHM CCc1cccc(C(=O)Nc2cnn(C(C)(C)C)c2)c1[O-] ZINC000530955028 542745176 /nfs/dbraw/zinc/74/51/76/542745176.db2.gz UYFFREADYCRVNM-UHFFFAOYSA-N -1 3 287.363 3.158 20 0 CGADHM [O-]c1ccc(CCCc2nc(-c3cccnc3)no2)cc1F ZINC000345671473 393063907 /nfs/dbraw/zinc/06/39/07/393063907.db2.gz QAQHQGVDSXSOSE-UHFFFAOYSA-N -1 3 299.305 3.152 20 0 CGADHM [O-]c1ccc(C(F)(F)F)c(-c2nc(CC3CC3)no2)c1 ZINC000345963707 393073833 /nfs/dbraw/zinc/07/38/33/393073833.db2.gz RAKBEACZQXWYPC-UHFFFAOYSA-N -1 3 284.237 3.414 20 0 CGADHM CC(C)(C)CCNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000469100784 393176236 /nfs/dbraw/zinc/17/62/36/393176236.db2.gz SXLKAHXAMFPLMO-UHFFFAOYSA-N -1 3 281.371 3.406 20 0 CGADHM COc1ccc([O-])c(C(=O)Nc2cccc3cc[nH]c32)c1 ZINC000548145587 393180378 /nfs/dbraw/zinc/18/03/78/393180378.db2.gz JCVLMJIKUYHABE-UHFFFAOYSA-N -1 3 282.299 3.134 20 0 CGADHM CCc1cccc(C(=O)NCCCCCSC)c1[O-] ZINC000547522205 393127632 /nfs/dbraw/zinc/12/76/32/393127632.db2.gz SSQBZRRNDMWNPO-UHFFFAOYSA-N -1 3 281.421 3.218 20 0 CGADHM CCC(C)(C)NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000468352418 393137433 /nfs/dbraw/zinc/13/74/33/393137433.db2.gz XLJQMGKPWMMXPB-UHFFFAOYSA-N -1 3 267.344 3.159 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CCC[C@@H](c3ccccn3)C2)c1 ZINC000646438408 393288369 /nfs/dbraw/zinc/28/83/69/393288369.db2.gz MTCSAHMEXRCPDR-CQSZACIVSA-N -1 3 296.370 3.115 20 0 CGADHM CCCCCNC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000646561300 393301718 /nfs/dbraw/zinc/30/17/18/393301718.db2.gz ATWIXKAVIDCDMJ-UHFFFAOYSA-N -1 3 275.270 3.331 20 0 CGADHM CCc1cccc(NC(=O)c2ccc3[nH][n-]c(=O)c3c2)c1 ZINC000646569193 393303507 /nfs/dbraw/zinc/30/35/07/393303507.db2.gz AGQJUQGYOXQGLN-UHFFFAOYSA-N -1 3 281.315 3.083 20 0 CGADHM CC(C)CCNC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000646578477 393304559 /nfs/dbraw/zinc/30/45/59/393304559.db2.gz UHMOBUVDQFRALU-UHFFFAOYSA-N -1 3 275.270 3.187 20 0 CGADHM COC(=O)C(C)(C)c1nc(-c2ccccc2[O-])sc1C ZINC000416400914 393307691 /nfs/dbraw/zinc/30/76/91/393307691.db2.gz HZRCSPWVRPUBSN-UHFFFAOYSA-N -1 3 291.372 3.275 20 0 CGADHM C[C@@H]1CCCN1S(=O)(=O)[N-]c1cccc2ccsc21 ZINC000471969905 393325289 /nfs/dbraw/zinc/32/52/89/393325289.db2.gz KXGRHGRTJUYNMU-SNVBAGLBSA-N -1 3 296.417 3.042 20 0 CGADHM Cc1ccc(C(=O)N2CCSC[C@@H]2C2CCC2)c([O-])c1 ZINC000416119013 393268394 /nfs/dbraw/zinc/26/83/94/393268394.db2.gz XVTWBHKPEBNLFO-CQSZACIVSA-N -1 3 291.416 3.058 20 0 CGADHM Cc1cccc(F)c1S(=O)(=O)[N-]C1CCCCCC1 ZINC000475540371 393407610 /nfs/dbraw/zinc/40/76/10/393407610.db2.gz GSFHUIGMAILOLF-UHFFFAOYSA-N -1 3 285.384 3.135 20 0 CGADHM Cc1ccc([O-])c(CNC2(c3ccccc3C)CC2)n1 ZINC000647224398 393396509 /nfs/dbraw/zinc/39/65/09/393396509.db2.gz FZZMZJOWXDAAHZ-UHFFFAOYSA-N -1 3 268.360 3.183 20 0 CGADHM CCc1cc(C(=O)NCC2CCC(F)CC2)ccc1[O-] ZINC000649148722 393360514 /nfs/dbraw/zinc/36/05/14/393360514.db2.gz VOJSUSYYPGMIPO-UHFFFAOYSA-N -1 3 279.355 3.213 20 0 CGADHM CCCC[C@](C)(CO)NCc1cccc([O-])c1Cl ZINC000647240522 393406687 /nfs/dbraw/zinc/40/66/87/393406687.db2.gz YEIPLOSHLHRRBI-CQSZACIVSA-N -1 3 271.788 3.076 20 0 CGADHM CC(=O)c1ccc(C(=O)N(C)CCC(C)(C)C)cc1[O-] ZINC000649228325 393376242 /nfs/dbraw/zinc/37/62/42/393376242.db2.gz JHDJKNMSZPGDDJ-UHFFFAOYSA-N -1 3 277.364 3.103 20 0 CGADHM CC[C@@H]1CCCC[C@H]1C(=O)N=c1[nH][n-]c(C(C)C)c1C ZINC000649229959 393377898 /nfs/dbraw/zinc/37/78/98/393377898.db2.gz UKUBUICAUWTHSX-CHWSQXEVSA-N -1 3 277.412 3.418 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)C1CCC(C)(C)CC1 ZINC000649231282 393378955 /nfs/dbraw/zinc/37/89/55/393378955.db2.gz OGKGMGHLHFMLMA-UHFFFAOYSA-N -1 3 277.412 3.418 20 0 CGADHM Cc1nc2ccccc2c(N2CC[C@H](C(=O)[O-])[C@H](C)C2)c1C ZINC000649404266 393413041 /nfs/dbraw/zinc/41/30/41/393413041.db2.gz FJZGYNSIIYAQNO-RISCZKNCSA-N -1 3 298.386 3.399 20 0 CGADHM Cc1ccc([C@@H](NCc2cccc3c2CCC3)C(=O)[O-])cc1 ZINC000649504991 393460790 /nfs/dbraw/zinc/46/07/90/393460790.db2.gz PGRNHPINMQXZJX-GOSISDBHSA-N -1 3 295.382 3.399 20 0 CGADHM CCCCC[C@H]1CCCN1C(=O)c1ccc2n[n-]nc2c1 ZINC000489309249 393584572 /nfs/dbraw/zinc/58/45/72/393584572.db2.gz CBJRZBRKBOCVHM-ZDUSSCGKSA-N -1 3 286.379 3.143 20 0 CGADHM C[C@@H](c1ncc(-c2ccccc2)o1)N(C)CCCC(=O)[O-] ZINC000430677786 393585040 /nfs/dbraw/zinc/58/50/40/393585040.db2.gz KYSANTCYMKOEOA-LBPRGKRZSA-N -1 3 288.347 3.199 20 0 CGADHM COC(=O)c1cnc(SCc2ccc(Cl)s2)[n-]1 ZINC000432660423 393626155 /nfs/dbraw/zinc/62/61/55/393626155.db2.gz SNPUPQXFMLBCQP-UHFFFAOYSA-N -1 3 288.781 3.204 20 0 CGADHM COc1ccccc1/C=C\C(=O)Nc1ccc([O-])cc1F ZINC000492451088 393736286 /nfs/dbraw/zinc/73/62/86/393736286.db2.gz VWQACLLPHUUZMN-TWGQIWQCSA-N -1 3 287.290 3.192 20 0 CGADHM CCC(C)(C)[C@@H]1CCCN1C(=O)c1ccc([O-])c(OC)c1 ZINC000443063718 393740604 /nfs/dbraw/zinc/74/06/04/393740604.db2.gz WZKNVIVZXJHRBC-HNNXBMFYSA-N -1 3 291.391 3.442 20 0 CGADHM Cc1ccccc1[C@@H](C)N(C)C(=O)/C=C\c1cncc([O-])c1 ZINC000492474503 393740745 /nfs/dbraw/zinc/74/07/45/393740745.db2.gz OJPWWOFXEOSHMN-QIAWRQBBSA-N -1 3 296.370 3.328 20 0 CGADHM CCCC[C@@H](CCC)NC(=O)c1ccc([O-])c(OC)c1 ZINC000443292403 393750484 /nfs/dbraw/zinc/75/04/84/393750484.db2.gz HACORISVBGCUGX-CYBMUJFWSA-N -1 3 279.380 3.490 20 0 CGADHM O=C(/C=C\c1ccc2ccccc2c1)[N-]OCC(F)(F)F ZINC000492640006 393765615 /nfs/dbraw/zinc/76/56/15/393765615.db2.gz LJGRLQVILJYFAL-VURMDHGXSA-N -1 3 295.260 3.463 20 0 CGADHM Cc1cc(C(=O)N[C@H]2C[C@@H]2C2CCCCC2)ccc1[O-] ZINC000499842492 393809649 /nfs/dbraw/zinc/80/96/49/393809649.db2.gz HVZCKNLJXZBASE-CABCVRRESA-N -1 3 273.376 3.399 20 0 CGADHM CCC[C@H]([N-]S(=O)(=O)c1ccco1)C1CCCCC1 ZINC000445718872 393818215 /nfs/dbraw/zinc/81/82/15/393818215.db2.gz XBLNTASPIJPLIN-ZDUSSCGKSA-N -1 3 285.409 3.307 20 0 CGADHM CC(C)(C[N-]S(=O)(=O)c1ccco1)C1CCCCC1 ZINC000445717624 393818624 /nfs/dbraw/zinc/81/86/24/393818624.db2.gz GTTMKEHAAAZAPN-UHFFFAOYSA-N -1 3 285.409 3.164 20 0 CGADHM CCCC[C@H](CCC)C[N-]S(=O)(=O)c1ccco1 ZINC000445750687 393820699 /nfs/dbraw/zinc/82/06/99/393820699.db2.gz KYIGXXHGVUIMBI-LBPRGKRZSA-N -1 3 273.398 3.164 20 0 CGADHM Cc1ccc([O-])c(CN[C@@H]2CCCc3c(F)cccc32)n1 ZINC000449351410 393879551 /nfs/dbraw/zinc/87/95/51/393879551.db2.gz PCEJFPLCLYJMTN-OAHLLOKOSA-N -1 3 286.350 3.402 20 0 CGADHM CCc1ccc(NC(=O)c2cc(F)cc3[n-]nnc32)cc1C ZINC000503529886 393903161 /nfs/dbraw/zinc/90/31/61/393903161.db2.gz WFKCSIDGDXGNFB-UHFFFAOYSA-N -1 3 298.321 3.220 20 0 CGADHM CCc1ccc(NC(=O)c2cc(F)cc3nn[n-]c32)cc1C ZINC000503529886 393903163 /nfs/dbraw/zinc/90/31/63/393903163.db2.gz WFKCSIDGDXGNFB-UHFFFAOYSA-N -1 3 298.321 3.220 20 0 CGADHM CCc1ccc(NC(=O)c2cc(F)cc3n[n-]nc32)cc1C ZINC000503529886 393903168 /nfs/dbraw/zinc/90/31/68/393903168.db2.gz WFKCSIDGDXGNFB-UHFFFAOYSA-N -1 3 298.321 3.220 20 0 CGADHM CCCc1nnc([N-]C(=O)c2cc(SC)oc2C)s1 ZINC000666969099 542830854 /nfs/dbraw/zinc/83/08/54/542830854.db2.gz FJHYITGRHSIZHK-UHFFFAOYSA-N -1 3 297.405 3.366 20 0 CGADHM C[C@H]1CCC[C@@H]1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000504310404 393915321 /nfs/dbraw/zinc/91/53/21/393915321.db2.gz SSZXQKWOGXIUMZ-FZMZJTMJSA-N -1 3 279.355 3.159 20 0 CGADHM C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)Cc1ccc([O-])c(F)c1 ZINC000450039466 393968018 /nfs/dbraw/zinc/96/80/18/393968018.db2.gz CTHZHVIGPOCYPY-FZMZJTMJSA-N -1 3 293.382 3.405 20 0 CGADHM CC1(C)CCCC[C@H]1NC(=O)Cc1ccc([O-])c(F)c1 ZINC000450104166 393979273 /nfs/dbraw/zinc/97/92/73/393979273.db2.gz IBEAXBXCARSLQS-CQSZACIVSA-N -1 3 279.355 3.159 20 0 CGADHM Cc1c(Br)ccc([O-])c1NC(=O)C[C@@H]1C[C@H]1C ZINC000452747848 394111543 /nfs/dbraw/zinc/11/15/43/394111543.db2.gz JFTMIXJJQLSJAV-APPZFPTMSA-N -1 3 298.180 3.448 20 0 CGADHM CCc1ccc(C(=O)NC[C@@H]2CCCC2(F)F)c([O-])c1 ZINC000452819217 394124909 /nfs/dbraw/zinc/12/49/09/394124909.db2.gz TYDSNZOLHBXVJC-NSHDSACASA-N -1 3 283.318 3.120 20 0 CGADHM CCCn1ncc(NC(=O)c2cccc([O-])c2)c1C1CC1 ZINC000452948383 394137615 /nfs/dbraw/zinc/13/76/15/394137615.db2.gz VQVYTKKTORLAKW-UHFFFAOYSA-N -1 3 285.347 3.128 20 0 CGADHM C[C@H]1CCCC[C@@]1(C)NC(=O)Cc1ccc([O-])c(F)c1 ZINC000457287062 394341760 /nfs/dbraw/zinc/34/17/60/394341760.db2.gz NHDNPODCXLVUEW-MEDUHNTESA-N -1 3 279.355 3.159 20 0 CGADHM CC(=O)c1ccc(C(=O)N(C(C)C)C2CCCC2)cc1[O-] ZINC000668222660 542992602 /nfs/dbraw/zinc/99/26/02/542992602.db2.gz GZMZLFPCIVBDFW-UHFFFAOYSA-N -1 3 289.375 3.388 20 0 CGADHM C[C@@H]1CCN(Cc2cccc([O-])c2Cl)C[C@H](C)O1 ZINC000668625958 543038032 /nfs/dbraw/zinc/03/80/32/543038032.db2.gz IZHBNMBFPVZMLL-MNOVXSKESA-N -1 3 269.772 3.045 20 0 CGADHM Cc1ccc(NC(=O)CCOc2cccc(F)c2)c([O-])c1 ZINC000042785370 397614530 /nfs/dbraw/zinc/61/45/30/397614530.db2.gz XXKDTQWLFNRIBM-UHFFFAOYSA-N -1 3 289.306 3.247 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCc3ccccc3[C@@H](C)C2)n1 ZINC000649836028 397735602 /nfs/dbraw/zinc/73/56/02/397735602.db2.gz YJZDZWVHEATDLN-GXTWGEPZSA-N -1 3 297.402 3.213 20 0 CGADHM CO[C@@H](COc1ccc2c([O-])coc2c1)c1ccccc1 ZINC000393493909 397693997 /nfs/dbraw/zinc/69/39/97/397693997.db2.gz IQGISCHURFFVMH-KRWDZBQOSA-N -1 3 284.311 3.028 20 0 CGADHM COC[C@@H](C)Cc1noc(-c2ccc(C(C)C)cc2[O-])n1 ZINC000650654232 397887396 /nfs/dbraw/zinc/88/73/96/397887396.db2.gz LJNNTTNSLIHXBY-NSHDSACASA-N -1 3 290.363 3.391 20 0 CGADHM C[C@@H]1CCC[C@@]1(C)c1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000650605573 397880111 /nfs/dbraw/zinc/88/01/11/397880111.db2.gz URFXPLYOMWZDCJ-RFAUZJTJSA-N -1 3 283.335 3.086 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CCOc3c(C)cc(C)cc32)c1 ZINC000650696191 397896213 /nfs/dbraw/zinc/89/62/13/397896213.db2.gz SXKDPDSHYRKJFK-UHFFFAOYSA-N -1 3 297.354 3.357 20 0 CGADHM O=c1nc(-c2ccncc2F)[n-]c2sc3c(c21)CCC3 ZINC000676868540 543420953 /nfs/dbraw/zinc/42/09/53/543420953.db2.gz MYZMSCPOAFJVCB-UHFFFAOYSA-N -1 3 287.319 3.087 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CCC3(CCC3)CC2)c1 ZINC000308723958 292162277 /nfs/dbraw/zinc/16/22/77/292162277.db2.gz HWEAQNFJXARUGR-UHFFFAOYSA-N -1 3 259.349 3.107 20 0 CGADHM C[C@H](C(=O)Nc1cccc([O-])c1F)C1CCCC1 ZINC000677801217 543466100 /nfs/dbraw/zinc/46/61/00/543466100.db2.gz JEPWVENMQPLJQS-VIFPVBQESA-N -1 3 251.301 3.296 20 0 CGADHM Cc1ccc(C(=O)N2CC(C)(C)OCC2(C)C)c([O-])c1C ZINC000678310557 543513632 /nfs/dbraw/zinc/51/36/32/543513632.db2.gz IGINFBVCYRYSSN-UHFFFAOYSA-N -1 3 291.391 3.039 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CCC[C@H]2c2ccc(O)cc2)c1 ZINC000678318138 543514585 /nfs/dbraw/zinc/51/45/85/543514585.db2.gz ZVCHBXCKYKMQAC-INIZCTEOSA-N -1 3 297.354 3.384 20 0 CGADHM COc1ccc(C(=O)N2C[C@H](C)[C@H]2c2ccccc2)c([O-])c1 ZINC000091984412 286283849 /nfs/dbraw/zinc/28/38/49/286283849.db2.gz FJQOBSPDTBUVLE-SJCJKPOMSA-N -1 3 297.354 3.234 20 0 CGADHM Cc1cccc(C(=O)N2C[C@@H](C)Oc3ccccc32)c1[O-] ZINC000436542062 292422831 /nfs/dbraw/zinc/42/28/31/292422831.db2.gz CIMVNIYFVYHGCX-GFCCVEGCSA-N -1 3 283.327 3.128 20 0 CGADHM CCO[C@H](C(=O)Nc1ccccc1[O-])c1ccccc1 ZINC000049037690 286916046 /nfs/dbraw/zinc/91/60/46/286916046.db2.gz SUWPSFIQAOYAGA-HNNXBMFYSA-N -1 3 271.316 3.109 20 0 CGADHM Cc1cccc(C(=O)N[C@H](C)C2CCCCC2)c1[O-] ZINC000052343693 286936545 /nfs/dbraw/zinc/93/65/45/286936545.db2.gz PTDCYIIEXJDUOP-GFCCVEGCSA-N -1 3 261.365 3.399 20 0 CGADHM CC(C)[C@@H]1CCCN(C(=O)c2ccccc2[O-])CC1 ZINC000071029044 286991769 /nfs/dbraw/zinc/99/17/69/286991769.db2.gz NXNMASGAVBLLAL-CYBMUJFWSA-N -1 3 261.365 3.291 20 0 CGADHM CC1(C)CCCN(C(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC000074374501 287012557 /nfs/dbraw/zinc/01/25/57/287012557.db2.gz BAHLNKVXWWFADK-UHFFFAOYSA-N -1 3 294.370 3.253 20 0 CGADHM O=C(Nc1ccc(Br)cc1[O-])C1CC=CC1 ZINC000076958266 287036923 /nfs/dbraw/zinc/03/69/23/287036923.db2.gz KBBUUPKHHLRYHH-UHFFFAOYSA-N -1 3 282.137 3.059 20 0 CGADHM CC[C@H](NC(=O)c1ccc(C)cc1[O-])c1nccs1 ZINC000080305696 287064644 /nfs/dbraw/zinc/06/46/44/287064644.db2.gz MSYGHGGFQJKNNW-NSHDSACASA-N -1 3 276.361 3.038 20 0 CGADHM Cc1cccc(-c2nc([C@@H]3Cc4ccccc43)no2)c1[O-] ZINC000086492381 287083022 /nfs/dbraw/zinc/08/30/22/287083022.db2.gz OASHQZDGBAEALV-CQSZACIVSA-N -1 3 278.311 3.439 20 0 CGADHM CCc1ccsc1C(=O)Nc1ccc([O-])cc1F ZINC000094531698 165353682 /nfs/dbraw/zinc/35/36/82/165353682.db2.gz DLJVULGVDUCRDQ-UHFFFAOYSA-N -1 3 265.309 3.408 20 0 CGADHM Cc1c(C(=O)Nc2cc(Cl)ccc2[O-])cnn1C(C)C ZINC000092526134 287111999 /nfs/dbraw/zinc/11/19/99/287111999.db2.gz IMVBRSKDGRXZEA-UHFFFAOYSA-N -1 3 293.754 3.384 20 0 CGADHM CC(C)[C@H](NCc1c(Cl)oc2ccccc21)C(=O)[O-] ZINC000164468989 165480202 /nfs/dbraw/zinc/48/02/02/165480202.db2.gz STVVHQNKSIGKGG-LBPRGKRZSA-N -1 3 281.739 3.285 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2ccccc2COC)c1 ZINC000093971005 287120769 /nfs/dbraw/zinc/12/07/69/287120769.db2.gz PKLZYYQZGMMBIK-UHFFFAOYSA-N -1 3 285.343 3.353 20 0 CGADHM [O-]c1ccccc1-c1nc(-c2ccc(F)c(F)c2)no1 ZINC000109037423 287127525 /nfs/dbraw/zinc/12/75/25/287127525.db2.gz NKYKJYCCOQNPLE-UHFFFAOYSA-N -1 3 274.226 3.387 20 0 CGADHM C[C@@H](Oc1ccccc1F)C(=O)Nc1ccc([O-])cc1F ZINC000360849693 287121872 /nfs/dbraw/zinc/12/18/72/287121872.db2.gz JYNUREJMZOOQCK-SECBINFHSA-N -1 3 293.269 3.076 20 0 CGADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCC1 ZINC000112113529 287138138 /nfs/dbraw/zinc/13/81/38/287138138.db2.gz IPQBHCVHEPHFIO-UHFFFAOYSA-N -1 3 281.355 3.023 20 0 CGADHM O=C(CCCOc1ccccc1)Nc1ccc([O-])cc1F ZINC000183252536 165709907 /nfs/dbraw/zinc/70/99/07/165709907.db2.gz MJSCPFCDFNJQHL-UHFFFAOYSA-N -1 3 289.306 3.329 20 0 CGADHM COc1ccc([N-]S(=O)(=O)c2ccccc2C)c(C)c1 ZINC000112335515 287140431 /nfs/dbraw/zinc/14/04/31/287140431.db2.gz VXRGXGKHMUMJJD-UHFFFAOYSA-N -1 3 291.372 3.113 20 0 CGADHM C[C@H]1CCN(Cc2nc(=O)c3sccc3[n-]2)C[C@@H](C)C1 ZINC000253555042 165810891 /nfs/dbraw/zinc/81/08/91/165810891.db2.gz PFNPWRJDQPNNIJ-QWRGUYRKSA-N -1 3 291.420 3.265 20 0 CGADHM CCc1cccc(C(=O)N2CCCC[C@@H](SC)C2)c1[O-] ZINC000123152529 287216495 /nfs/dbraw/zinc/21/64/95/287216495.db2.gz YRDCHQUKNAOCRK-CYBMUJFWSA-N -1 3 293.432 3.312 20 0 CGADHM CC[C@@H]1CO[C@@H](C)CN1C(=O)c1ccc(C(C)C)cc1[O-] ZINC000436587019 287243851 /nfs/dbraw/zinc/24/38/51/287243851.db2.gz CYWSXXJUFGLUQW-GXTWGEPZSA-N -1 3 291.391 3.155 20 0 CGADHM [O-]c1ccc(-c2noc([C@@H]3Cc4ccccc4O3)n2)cc1 ZINC000020432796 171197426 /nfs/dbraw/zinc/19/74/26/171197426.db2.gz QQPNHGPTLQVNOB-AWEZNQCLSA-N -1 3 280.283 3.118 20 0 CGADHM Cc1ccc(NC(=O)CCc2ccsc2)c([O-])c1 ZINC000022634720 171395068 /nfs/dbraw/zinc/39/50/68/171395068.db2.gz HVZOESCIAMPOKP-UHFFFAOYSA-N -1 3 261.346 3.333 20 0 CGADHM C[C@H](c1ccccc1Cl)N1CCC(C(=O)[O-])CC1 ZINC000033617016 171815335 /nfs/dbraw/zinc/81/53/35/171815335.db2.gz HGQUVCGHGMHFEF-SNVBAGLBSA-N -1 3 267.756 3.198 20 0 CGADHM O=C(c1cccc([O-])c1)N1CC[C@H]2CCCC[C@@H]2C1 ZINC000035153640 172016311 /nfs/dbraw/zinc/01/63/11/172016311.db2.gz VOVYRQPNSONEJH-TZMCWYRMSA-N -1 3 259.349 3.045 20 0 CGADHM CC(C)C[C@@H](Nc1ccnc2ccccc21)C(=O)[O-] ZINC000043441687 175045771 /nfs/dbraw/zinc/04/57/71/175045771.db2.gz IYUNUVDQRTVHTD-CQSZACIVSA-N -1 3 258.321 3.146 20 0 CGADHM CCc1ccc(C(=O)Nc2cccc([O-])c2F)cc1 ZINC000128321606 287308654 /nfs/dbraw/zinc/30/86/54/287308654.db2.gz WMPAYFKWRLZANO-UHFFFAOYSA-N -1 3 259.280 3.346 20 0 CGADHM C[C@@H](Sc1ccccn1)C(=O)Nc1cccc([O-])c1F ZINC000128899414 287320357 /nfs/dbraw/zinc/32/03/57/287320357.db2.gz XULSBJBQBZCJKP-SECBINFHSA-N -1 3 292.335 3.046 20 0 CGADHM Cc1ccc(C)c(OCC(=O)Nc2cccc([O-])c2F)c1 ZINC000129216319 287327073 /nfs/dbraw/zinc/32/70/73/287327073.db2.gz TUJMFDUGYJIGAR-UHFFFAOYSA-N -1 3 289.306 3.166 20 0 CGADHM C[C@@H]1CCC[C@H](OCC(=O)Nc2cccc([O-])c2F)C1 ZINC000129354920 287329344 /nfs/dbraw/zinc/32/93/44/287329344.db2.gz KTQIWBCZEDLYGV-MNOVXSKESA-N -1 3 281.327 3.065 20 0 CGADHM Cc1ccsc1C(=O)Nc1cccc([O-])c1F ZINC000129410433 287330550 /nfs/dbraw/zinc/33/05/50/287330550.db2.gz VLCFMUNFFWIIDX-UHFFFAOYSA-N -1 3 251.282 3.154 20 0 CGADHM CCCN(CC(F)(F)F)C(=O)c1cccc(C)c1[O-] ZINC000048090830 416445778 /nfs/dbraw/zinc/44/57/78/416445778.db2.gz QUWVAVQFDOWZBD-UHFFFAOYSA-N -1 3 275.270 3.115 20 0 CGADHM C[C@@H](c1ccc(Cl)cc1)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000311409304 416531674 /nfs/dbraw/zinc/53/16/74/416531674.db2.gz YCRMGDNUFXSRRO-SUNKGSAMSA-N -1 3 281.783 3.444 20 0 CGADHM C[C@@H]1CN(Cc2cccc(C(F)F)c2)CC[C@H]1C(=O)[O-] ZINC000312825401 416534515 /nfs/dbraw/zinc/53/45/15/416534515.db2.gz JIOMNVAJPVYTDR-ZWNOBZJWSA-N -1 3 283.318 3.167 20 0 CGADHM C[C@H](c1ccc(F)cc1F)N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000312273061 416534857 /nfs/dbraw/zinc/53/48/57/416534857.db2.gz ANVWRGPSXVVEBB-CKYFFXLPSA-N -1 3 283.318 3.068 20 0 CGADHM CC(C)CCCN1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000127759190 416511558 /nfs/dbraw/zinc/51/15/58/416511558.db2.gz HAUPYXVVTIXLIS-OAHLLOKOSA-N -1 3 261.365 3.107 20 0 CGADHM c1ccc2c(c1)ccnc2C[N-]c1nnc([C@@H]2CCCO2)o1 ZINC000679120302 543592395 /nfs/dbraw/zinc/59/23/95/543592395.db2.gz GSSJZWDWGQIELG-AWEZNQCLSA-N -1 3 296.330 3.081 20 0 CGADHM CCc1noc(C)c1[N-]C(=O)c1nc2ccccc2s1 ZINC000129785726 287339106 /nfs/dbraw/zinc/33/91/06/287339106.db2.gz ORRDIAXXLGLQHU-UHFFFAOYSA-N -1 3 287.344 3.407 20 0 CGADHM Cc1cc(C(=O)N2CC(Cc3ccccc3)C2)ccc1[O-] ZINC000679411572 543635730 /nfs/dbraw/zinc/63/57/30/543635730.db2.gz JVLAYLREQRRGAN-UHFFFAOYSA-N -1 3 281.355 3.015 20 0 CGADHM Cc1cc(C(=O)NC[C@@H]2CCc3ccccc3C2)ccc1[O-] ZINC000679408534 543636368 /nfs/dbraw/zinc/63/63/68/543636368.db2.gz IPLOXBDLVJGSQN-CQSZACIVSA-N -1 3 295.382 3.236 20 0 CGADHM CC[C@@H](C)CCCCC(=O)Nc1nnc(SC)[n-]1 ZINC000680191306 543689808 /nfs/dbraw/zinc/68/98/08/543689808.db2.gz RDGIZSQUFSTRIM-SECBINFHSA-N -1 3 270.402 3.072 20 0 CGADHM CC[C@@H](C)CCCCC(=O)Nc1nc(SC)n[n-]1 ZINC000680191306 543689811 /nfs/dbraw/zinc/68/98/11/543689811.db2.gz RDGIZSQUFSTRIM-SECBINFHSA-N -1 3 270.402 3.072 20 0 CGADHM CC[C@@H](C)CCCCC(=O)Nc1n[n-]c(SC)n1 ZINC000680191306 543689814 /nfs/dbraw/zinc/68/98/14/543689814.db2.gz RDGIZSQUFSTRIM-SECBINFHSA-N -1 3 270.402 3.072 20 0 CGADHM COCc1ccccc1-c1noc(-c2ccccc2[O-])n1 ZINC000680706107 543728346 /nfs/dbraw/zinc/72/83/46/543728346.db2.gz CVBPXINNAGGMIO-UHFFFAOYSA-N -1 3 282.299 3.256 20 0 CGADHM C[C@@H]1CCN(C(=O)[C@@H]2CC23CCC3)c2c([O-])cccc21 ZINC000681088953 543763815 /nfs/dbraw/zinc/76/38/15/543763815.db2.gz XFSYPGPWBWVROE-YPMHNXCESA-N -1 3 271.360 3.423 20 0 CGADHM Cc1ccc(C(=O)N2CCC[C@@H](c3ccncc3)C2)c([O-])c1 ZINC000334895758 225355152 /nfs/dbraw/zinc/35/51/52/225355152.db2.gz ZBIMXIPHCGEFSC-OAHLLOKOSA-N -1 3 296.370 3.115 20 0 CGADHM O=C([N-]c1cc(Cl)ccc1F)c1nccs1 ZINC000683578490 543927042 /nfs/dbraw/zinc/92/70/42/543927042.db2.gz FWQRGOJZTAIKIG-UHFFFAOYSA-N -1 3 256.689 3.188 20 0 CGADHM O=C([O-])c1cccc(CNCc2ccc(Cl)c(F)c2)c1 ZINC000683170654 543901010 /nfs/dbraw/zinc/90/10/10/543901010.db2.gz XXNKTGSTAUOASF-UHFFFAOYSA-N -1 3 293.725 3.467 20 0 CGADHM Cc1nc(CNCC(C)(C)c2ccccc2)ccc1C(=O)[O-] ZINC000683172023 543901038 /nfs/dbraw/zinc/90/10/38/543901038.db2.gz UEIRXJRDDKOOLK-UHFFFAOYSA-N -1 3 298.386 3.156 20 0 CGADHM CC1(C)CN(C(=O)c2csc(=O)[n-]2)[C@@H]1c1ccccc1 ZINC000684262024 543977481 /nfs/dbraw/zinc/97/74/81/543977481.db2.gz AMLICDSLJFXRCX-GFCCVEGCSA-N -1 3 288.372 3.072 20 0 CGADHM CC(C)(NC(=O)c1cc2c(cc1[O-])CCCC2)C(F)F ZINC000684342050 543983091 /nfs/dbraw/zinc/98/30/91/543983091.db2.gz UMCRSTZHMUJQFP-UHFFFAOYSA-N -1 3 283.318 3.045 20 0 CGADHM C[C@@H](NCc1ncccc1[O-])c1c(F)cccc1Cl ZINC000685425679 544068063 /nfs/dbraw/zinc/06/80/63/544068063.db2.gz XEARIKPCTPIOOY-SECBINFHSA-N -1 3 280.730 3.431 20 0 CGADHM COc1cccc([C@@H]2C[C@H](C)CN2Cc2ncccc2[O-])c1 ZINC000685427287 544068166 /nfs/dbraw/zinc/06/81/66/544068166.db2.gz LZAJJYXWNYSQQG-GUYCJALGSA-N -1 3 298.386 3.379 20 0 CGADHM C[C@H]1C[C@H]1CC(=O)Nc1ccc(Br)cc1[O-] ZINC000685610298 544088090 /nfs/dbraw/zinc/08/80/90/544088090.db2.gz JFWZDCCETKESPA-YUMQZZPRSA-N -1 3 284.153 3.139 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CCC[C@H](C3CC3)C2)c1 ZINC000685857984 544104199 /nfs/dbraw/zinc/10/41/99/544104199.db2.gz VTAQHPHKFOHTRB-AWEZNQCLSA-N -1 3 273.376 3.217 20 0 CGADHM C[C@@H]1CCC[C@@H]1NC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000280500142 287426806 /nfs/dbraw/zinc/42/68/06/287426806.db2.gz KWLMDZFFXRHCEH-PELKAZGASA-N -1 3 287.281 3.329 20 0 CGADHM COc1ccc(C(=O)N2C[C@@H](C)CCC[C@H]2C)c([O-])c1 ZINC000134196543 287437461 /nfs/dbraw/zinc/43/74/61/287437461.db2.gz BXCINVJDELMVTH-NWDGAFQWSA-N -1 3 277.364 3.052 20 0 CGADHM CCC(CC)C[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000134379300 287441746 /nfs/dbraw/zinc/44/17/46/287441746.db2.gz VONWRWUZEDWVQY-UHFFFAOYSA-N -1 3 293.791 3.194 20 0 CGADHM Cc1cccc(Cl)c1CN1CCCC[C@H]1CC(=O)[O-] ZINC000652463433 418972114 /nfs/dbraw/zinc/97/21/14/418972114.db2.gz FOZWEQHQCVCVAS-LBPRGKRZSA-N -1 3 281.783 3.478 20 0 CGADHM CCN(Cc1ccc(C(=O)[O-])c(Cl)c1)[C@H]1CCCOC1 ZINC000652507242 418976809 /nfs/dbraw/zinc/97/68/09/418976809.db2.gz ZQUZSCUDFJDLHW-LBPRGKRZSA-N -1 3 297.782 3.039 20 0 CGADHM O=C([O-])c1cccc(Cl)c1CN1CCCCCC1 ZINC000652365784 418957594 /nfs/dbraw/zinc/95/75/94/418957594.db2.gz JYPQGHLAGNKLEX-UHFFFAOYSA-N -1 3 267.756 3.414 20 0 CGADHM CN(Cc1cccc(Cl)c1Cl)[C@@H](C(=O)[O-])C1CC1 ZINC000652373326 418957947 /nfs/dbraw/zinc/95/79/47/418957947.db2.gz PSXCLWDBTQKTLN-GFCCVEGCSA-N -1 3 288.174 3.288 20 0 CGADHM O=C([O-])c1cccnc1CN1CCCC2(CCCCC2)C1 ZINC000652413468 418964778 /nfs/dbraw/zinc/96/47/78/418964778.db2.gz FKGDCNWQGOTYSE-UHFFFAOYSA-N -1 3 288.391 3.326 20 0 CGADHM CC(C)(C)n1ccc(C(=O)Nc2c([O-])cccc2Cl)n1 ZINC000655110291 419022480 /nfs/dbraw/zinc/02/24/80/419022480.db2.gz CIKAPJNQBPEDJJ-UHFFFAOYSA-N -1 3 293.754 3.249 20 0 CGADHM C[C@H](C(=O)Nc1c([O-])cccc1Cl)N1[C@H](C)CC[C@H]1C ZINC000655110637 419022505 /nfs/dbraw/zinc/02/25/05/419022505.db2.gz HSDATJOPCZEAKX-GMTAPVOTSA-N -1 3 296.798 3.245 20 0 CGADHM C[C@H](CC(=O)Nc1ccccc1[O-])N1CCc2ccccc21 ZINC000654566335 418985626 /nfs/dbraw/zinc/98/56/26/418985626.db2.gz ZNGQAYBFLZUVOG-CYBMUJFWSA-N -1 3 296.370 3.172 20 0 CGADHM CC[C@H](CC(F)F)CN1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000659788313 418990207 /nfs/dbraw/zinc/99/02/07/418990207.db2.gz HCSKDDSVGYLBKZ-BXUZGUMPSA-N -1 3 297.345 3.352 20 0 CGADHM CC[C@H](CC(F)F)CN(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC000659788241 418990317 /nfs/dbraw/zinc/99/03/17/418990317.db2.gz KQLVACFKALZSOT-SNVBAGLBSA-N -1 3 289.322 3.399 20 0 CGADHM CC[C@@H]1CN(C(=O)c2ccc(C)c(C)c2[O-])[C@@H](CC)CO1 ZINC000652762450 418990572 /nfs/dbraw/zinc/99/05/72/418990572.db2.gz KRUGJUSMZYCXFT-UONOGXRCSA-N -1 3 291.391 3.039 20 0 CGADHM Cc1ccc2ncc(C(=O)[O-])c(N3CC[C@@H]4C[C@@H]4C3)c2c1 ZINC000659786493 418990721 /nfs/dbraw/zinc/99/07/21/418990721.db2.gz OSJVSWKDIALCPN-VXGBXAGGSA-N -1 3 282.343 3.088 20 0 CGADHM CC[C@@H]1COC(C)(C)CN1C(=O)c1ccc(C)c(C)c1[O-] ZINC000652760727 418990732 /nfs/dbraw/zinc/99/07/32/418990732.db2.gz FXGKGYSIVCTZTJ-CYBMUJFWSA-N -1 3 291.391 3.039 20 0 CGADHM Cc1ccc(NC(=O)CCCc2cccnc2)c([O-])c1 ZINC000665203177 419079664 /nfs/dbraw/zinc/07/96/64/419079664.db2.gz ZLWCZNGOMCLOEU-UHFFFAOYSA-N -1 3 270.332 3.057 20 0 CGADHM CSc1ccc([O-])c(C(=O)N(C)CCC(C)C)c1 ZINC000666182402 419195667 /nfs/dbraw/zinc/19/56/67/419195667.db2.gz HVIYEIVYPXYLSO-UHFFFAOYSA-N -1 3 267.394 3.232 20 0 CGADHM CC1(C)[C@H](CCC(=O)[O-])C[C@@H]1NCc1ccc(F)cc1F ZINC000656568454 419184786 /nfs/dbraw/zinc/18/47/86/419184786.db2.gz AANLXKJGSMZHHI-RISCZKNCSA-N -1 3 297.345 3.334 20 0 CGADHM CCc1cccc2cc(CNC3([C@H](C)C(=O)[O-])CC3)oc21 ZINC000656567615 419184875 /nfs/dbraw/zinc/18/48/75/419184875.db2.gz XCDNFNMPZWHWOH-LLVKDONJSA-N -1 3 287.359 3.338 20 0 CGADHM CO[C@H](CS(=O)(=O)[N-]c1ccccc1)C1CCCCC1 ZINC000656614496 419186352 /nfs/dbraw/zinc/18/63/52/419186352.db2.gz ZTSXDQNVXUDJIO-OAHLLOKOSA-N -1 3 297.420 3.024 20 0 CGADHM O=C([O-])C[C@H]1CCCN(CCCc2c(F)cccc2F)C1 ZINC000655919776 419126259 /nfs/dbraw/zinc/12/62/59/419126259.db2.gz FGKCVAZCKTUBHL-GFCCVEGCSA-N -1 3 297.345 3.084 20 0 CGADHM C[C@H](c1cccc2ccccc21)N(C)Cc1n[n-]c(=O)o1 ZINC000660849711 419203690 /nfs/dbraw/zinc/20/36/90/419203690.db2.gz DPVBUGFEKRMXJC-LLVKDONJSA-N -1 3 283.331 3.121 20 0 CGADHM CCC1(CC)CCCN(Cc2ccoc2C(=O)[O-])C1 ZINC000656763344 419212674 /nfs/dbraw/zinc/21/26/74/419212674.db2.gz NJBZGSRMTXMIND-UHFFFAOYSA-N -1 3 265.353 3.380 20 0 CGADHM CCC1(CC)[C@H](OC)C[C@H]1N(C)C(=O)c1ccccc1[O-] ZINC000151766804 287521761 /nfs/dbraw/zinc/52/17/61/287521761.db2.gz KPXKUSOUCWDOJS-HUUCEWRRSA-N -1 3 291.391 3.058 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)c2ccc(F)cn2)c1[O-] ZINC000183787201 287544003 /nfs/dbraw/zinc/54/40/03/287544003.db2.gz GXVIPEWJEWDRCX-UHFFFAOYSA-N -1 3 280.686 3.140 20 0 CGADHM CC[C@H]1CCCC[C@H]1NC(=O)c1ccc([O-])c(C)c1 ZINC000227018613 287636499 /nfs/dbraw/zinc/63/64/99/287636499.db2.gz QDOMWHBLYHDYJP-GXTWGEPZSA-N -1 3 261.365 3.399 20 0 CGADHM CO[C@H](C)c1cccc(NC(=O)/C=C/c2cncc([O-])c2)c1 ZINC000179473914 260050610 /nfs/dbraw/zinc/05/06/10/260050610.db2.gz VRIRXDYWCLDWKK-NNNHXZLVSA-N -1 3 298.342 3.147 20 0 CGADHM CC(C)[C@@H](NCc1csc(-c2ccccc2)n1)C(=O)[O-] ZINC000035406709 270028074 /nfs/dbraw/zinc/02/80/74/270028074.db2.gz PJRWOPUMQNPSRK-CYBMUJFWSA-N -1 3 290.388 3.009 20 0 CGADHM COc1ccccc1Cc1nc(-c2ccc([O-])cc2)no1 ZINC000037296177 270029342 /nfs/dbraw/zinc/02/93/42/270029342.db2.gz FADXDLHHIMUVOS-UHFFFAOYSA-N -1 3 282.299 3.042 20 0 CGADHM Cc1ccc([O-])c(C(=O)N(CC(C)C)CC(C)C)c1 ZINC000041638406 270031492 /nfs/dbraw/zinc/03/14/92/270031492.db2.gz ZFJXDYRIBWXDFZ-UHFFFAOYSA-N -1 3 263.381 3.455 20 0 CGADHM Cc1cccc(C(=O)N[C@@H](C)CCc2ccccc2)c1[O-] ZINC000044285653 270034873 /nfs/dbraw/zinc/03/48/73/270034873.db2.gz VCNRPRSLMKJGAB-AWEZNQCLSA-N -1 3 283.371 3.452 20 0 CGADHM Cc1cccc(C(=O)N2CCC[C@@H]2C2CCCC2)c1[O-] ZINC000044352671 270035708 /nfs/dbraw/zinc/03/57/08/270035708.db2.gz HQJMJIUVWNDOPE-OAHLLOKOSA-N -1 3 273.376 3.495 20 0 CGADHM CCOc1ccccc1C[S@@](=O)c1ccc([O-])cc1 ZINC000108085380 270050929 /nfs/dbraw/zinc/05/09/29/270050929.db2.gz IDDCVDYEQNXYLH-IBGZPJMESA-N -1 3 276.357 3.099 20 0 CGADHM Cc1nc(-c2ccc(NCc3cc([O-])cc(F)c3)cc2)n[nH]1 ZINC000185608840 270063765 /nfs/dbraw/zinc/06/37/65/270063765.db2.gz CSPNBYJGKDWIAP-UHFFFAOYSA-N -1 3 298.321 3.237 20 0 CGADHM [O-]c1cc(F)cc(CNc2cccc(OCCF)c2)c1 ZINC000185599681 270063798 /nfs/dbraw/zinc/06/37/98/270063798.db2.gz BJWOKJIMIYICEL-UHFFFAOYSA-N -1 3 279.286 3.492 20 0 CGADHM CCc1ccccc1S(=O)(=O)[N-]c1ccccc1F ZINC000187166268 270067836 /nfs/dbraw/zinc/06/78/36/270067836.db2.gz YOLAGTGGNZMIMX-UHFFFAOYSA-N -1 3 279.336 3.189 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2ccccc2CCOC)c1 ZINC000190862691 270073983 /nfs/dbraw/zinc/07/39/83/270073983.db2.gz LKABJEOCFWNXDS-UHFFFAOYSA-N -1 3 299.370 3.396 20 0 CGADHM CSc1cc(O)ccc1[N-]C(=O)c1cc(C(C)C)on1 ZINC000191562724 270074840 /nfs/dbraw/zinc/07/48/40/270074840.db2.gz PYWKQBOFSVSLLZ-UHFFFAOYSA-N -1 3 292.360 3.478 20 0 CGADHM CCC(C)(C)[N-]S(=O)(=O)c1cc(C)c(Cl)s1 ZINC000191824921 270076454 /nfs/dbraw/zinc/07/64/54/270076454.db2.gz ROLBEICKYYELGP-UHFFFAOYSA-N -1 3 281.830 3.177 20 0 CGADHM COc1cccc(C(=O)N[C@@H]2CCC[C@H](C)CC2)c1[O-] ZINC000227535666 270087032 /nfs/dbraw/zinc/08/70/32/270087032.db2.gz ZKBXUDZIXBYOCD-NWDGAFQWSA-N -1 3 277.364 3.099 20 0 CGADHM CC1(C)CCC[C@@H]1C(=O)N1CCCc2cccc([O-])c21 ZINC000229012707 270088098 /nfs/dbraw/zinc/08/80/98/270088098.db2.gz RBHJUVIEJYGJMZ-CYBMUJFWSA-N -1 3 273.376 3.498 20 0 CGADHM Cc1ccc(CN(C)Cc2ccc(C(=O)[O-])s2)s1 ZINC000521257867 270101591 /nfs/dbraw/zinc/10/15/91/270101591.db2.gz QOTMESPYZKJNMO-UHFFFAOYSA-N -1 3 281.402 3.448 20 0 CGADHM CCN(CCc1cccs1)C(=O)c1cccc([O-])c1 ZINC000357200401 266265007 /nfs/dbraw/zinc/26/50/07/266265007.db2.gz DPUUKPREXOMABY-UHFFFAOYSA-N -1 3 275.373 3.159 20 0 CGADHM CCc1ccc([O-])c(C(=O)NC[C@H](OC)c2ccccc2)c1 ZINC000525240942 270118331 /nfs/dbraw/zinc/11/83/31/270118331.db2.gz AJIKIWNPJUSDEG-KRWDZBQOSA-N -1 3 299.370 3.072 20 0 CGADHM COc1ccc(NC([O-])=NOC(C)C)c2ccccc12 ZINC000529252995 270179016 /nfs/dbraw/zinc/17/90/16/270179016.db2.gz BGQUFTUOZKIARC-UHFFFAOYSA-N -1 3 274.320 3.310 20 0 CGADHM COc1ccc(NC(=O)[N-]OC(C)C)c2ccccc12 ZINC000529252995 270179017 /nfs/dbraw/zinc/17/90/17/270179017.db2.gz BGQUFTUOZKIARC-UHFFFAOYSA-N -1 3 274.320 3.310 20 0 CGADHM CC(=O)c1cccc(NC(=O)C[C@H](C)c2ccco2)c1[O-] ZINC000529390431 270180113 /nfs/dbraw/zinc/18/01/13/270180113.db2.gz YTBABKDNJTVGDC-JTQLQIEISA-N -1 3 287.315 3.320 20 0 CGADHM CCc1cccc(C(=O)Nc2ccc(OC)c(F)c2)c1[O-] ZINC000530880439 270203302 /nfs/dbraw/zinc/20/33/02/270203302.db2.gz KAOHLIUHTAONKF-UHFFFAOYSA-N -1 3 289.306 3.355 20 0 CGADHM CC(C)(C)c1cc2c([n-]c(-c3ccccn3)nc2=O)s1 ZINC000069981908 277265881 /nfs/dbraw/zinc/26/58/81/277265881.db2.gz SKFBZMNJLZXTGN-UHFFFAOYSA-N -1 3 285.372 3.344 20 0 CGADHM C[C@@H]1C[C@@H]1CC(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000487199809 277990800 /nfs/dbraw/zinc/99/08/00/277990800.db2.gz NPMHDZLSVHFJCI-IJLUTSLNSA-N -1 3 259.349 3.279 20 0 CGADHM CC(C)c1n[n-]c(=NC(C)(C)C)n1Cc1cccs1 ZINC000361320414 278068398 /nfs/dbraw/zinc/06/83/98/278068398.db2.gz ZUGORYJCQOHVSS-UHFFFAOYSA-N -1 3 278.425 3.144 20 0 CGADHM COc1ccc([O-])c(-c2nc(-c3sccc3C)no2)c1 ZINC000395532591 288009499 /nfs/dbraw/zinc/00/94/99/288009499.db2.gz OEODXRATWYZVHH-UHFFFAOYSA-N -1 3 288.328 3.488 20 0 CGADHM Cc1cc(C(=O)N2CCC[C@@H]2CC(C)C)ccc1[O-] ZINC000396769378 288016101 /nfs/dbraw/zinc/01/61/01/288016101.db2.gz CMLRHZBIIWCSIJ-CQSZACIVSA-N -1 3 261.365 3.351 20 0 CGADHM CC1(C)CCCN1C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436569862 278218653 /nfs/dbraw/zinc/21/86/53/278218653.db2.gz JSBQXVHMIUFCNH-UHFFFAOYSA-N -1 3 273.376 3.286 20 0 CGADHM CC(=O)c1ccc(C(=O)N2CC(C)(C)[C@@H]2C(C)C)cc1[O-] ZINC000412367033 278244835 /nfs/dbraw/zinc/24/48/35/278244835.db2.gz SOCCDKOQWVAHRK-HNNXBMFYSA-N -1 3 289.375 3.101 20 0 CGADHM CC(=O)c1ccc(C(=O)N2C[C@H](C)C[C@@H](C)[C@H]2C)cc1[O-] ZINC000408462743 278245703 /nfs/dbraw/zinc/24/57/03/278245703.db2.gz ANDJIPKGQLGQMJ-IJLUTSLNSA-N -1 3 289.375 3.101 20 0 CGADHM O=C([C@@H]1CC=CCC1)N1CCCc2cccc([O-])c21 ZINC000063063837 280079692 /nfs/dbraw/zinc/07/96/92/280079692.db2.gz SGKFYKSASCANLB-CYBMUJFWSA-N -1 3 257.333 3.028 20 0 CGADHM CC[C@@H](C)[C@H](C)C(=O)Nc1n[n-]c(-c2ccccc2F)n1 ZINC000356514402 280121585 /nfs/dbraw/zinc/12/15/85/280121585.db2.gz PXTUKRXOVSKLKV-ZJUUUORDSA-N -1 3 290.342 3.232 20 0 CGADHM CCCOc1cncc(NC(=O)c2ccc([O-])c(C)c2)c1 ZINC000529843563 288279630 /nfs/dbraw/zinc/27/96/30/288279630.db2.gz RSHBFMCVUHNJKB-UHFFFAOYSA-N -1 3 286.331 3.137 20 0 CGADHM O=C([O-])c1ccc(F)c2c1CN(CC1CCCCC1)CC2 ZINC000530170287 288291879 /nfs/dbraw/zinc/29/18/79/288291879.db2.gz XBBNKZZRZTUNME-UHFFFAOYSA-N -1 3 291.366 3.462 20 0 CGADHM CC[C@H]1CCC[C@H]1C(=O)Nc1nnc(-c2ccc(C)o2)[n-]1 ZINC000450144057 281089651 /nfs/dbraw/zinc/08/96/51/281089651.db2.gz YWFPPESMZJYGHC-WDEREUQCSA-N -1 3 288.351 3.138 20 0 CGADHM CC[C@H]1CCC[C@H]1C(=O)Nc1nc(-c2ccc(C)o2)n[n-]1 ZINC000450144057 281089653 /nfs/dbraw/zinc/08/96/53/281089653.db2.gz YWFPPESMZJYGHC-WDEREUQCSA-N -1 3 288.351 3.138 20 0 CGADHM CC[C@H]1CCC[C@H]1C(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC000450144057 281089654 /nfs/dbraw/zinc/08/96/54/281089654.db2.gz YWFPPESMZJYGHC-WDEREUQCSA-N -1 3 288.351 3.138 20 0 CGADHM C[C@H](CN(C)Cc1ccc(C(=O)[O-])cn1)C1CCCCC1 ZINC000530173184 288292730 /nfs/dbraw/zinc/29/27/30/288292730.db2.gz NGZWQZLYPIKKQG-CYBMUJFWSA-N -1 3 290.407 3.428 20 0 CGADHM C[C@H]1CC(C(=O)[O-])C[C@H](C)N1Cc1ccc(Cl)s1 ZINC000530174230 288293117 /nfs/dbraw/zinc/29/31/17/288293117.db2.gz IYTNZJXZAINDKS-IUCAKERBSA-N -1 3 287.812 3.475 20 0 CGADHM CCc1ccc(C(=O)N2C[C@H](C3CC3)[C@@H]2C2CC2)c([O-])c1 ZINC000456257269 288533389 /nfs/dbraw/zinc/53/33/89/288533389.db2.gz QODNXWYOUAHEDV-WBVHZDCISA-N -1 3 285.387 3.215 20 0 CGADHM C[C@H]1CN(C(=O)Cc2ccc([O-])cc2Cl)CC(C)(C)C1 ZINC000542442080 288751715 /nfs/dbraw/zinc/75/17/15/288751715.db2.gz KQXCXHGZEYKBBP-LLVKDONJSA-N -1 3 295.810 3.483 20 0 CGADHM O=C(c1cccc([O-])c1)N1C[C@H]2CCCN2c2ccccc21 ZINC000542818243 288773189 /nfs/dbraw/zinc/77/31/89/288773189.db2.gz RHVOVEWODQVIJC-CQSZACIVSA-N -1 3 294.354 3.021 20 0 CGADHM CCc1cccc(C(=O)N[C@@H](C)CC(F)(F)F)c1[O-] ZINC000547364118 288957695 /nfs/dbraw/zinc/95/76/95/288957695.db2.gz FRRIZUHYNPPAHC-QMMMGPOBSA-N -1 3 275.270 3.025 20 0 CGADHM C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)c1cccc([O-])c1 ZINC000336234001 289002534 /nfs/dbraw/zinc/00/25/34/289002534.db2.gz APKHIPDOJDVHQX-BXKDBHETSA-N -1 3 287.281 3.195 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N2CCC[C@@H](C(C)C)CC2)n1 ZINC000580520028 335090664 /nfs/dbraw/zinc/09/06/64/335090664.db2.gz KNNJNNPGQUTZIN-UONOGXRCSA-N -1 3 277.412 3.310 20 0 CGADHM CC(=O)c1cccc(NC(=O)c2cccc3c2CCC3)c1[O-] ZINC000552286090 289179090 /nfs/dbraw/zinc/17/90/90/289179090.db2.gz KEGKIKDVUODGOB-UHFFFAOYSA-N -1 3 295.338 3.336 20 0 CGADHM CCc1cccc(C(=O)N2CC[C@]3(C)[C@H](C2)C3(F)F)c1[O-] ZINC000560933697 289620306 /nfs/dbraw/zinc/62/03/06/289620306.db2.gz BRVSWROBIPLYQU-SWLSCSKDSA-N -1 3 295.329 3.072 20 0 CGADHM CCc1cc(C(=O)NCC(C)(C)C(F)(F)F)ccc1[O-] ZINC000562350904 289695071 /nfs/dbraw/zinc/69/50/71/289695071.db2.gz ACRNYXURTQCCRH-UHFFFAOYSA-N -1 3 289.297 3.273 20 0 CGADHM Cc1csc2[n-]c(-c3ccc4cc[nH]c4n3)nc(=O)c12 ZINC000429558575 293071372 /nfs/dbraw/zinc/07/13/72/293071372.db2.gz JEJIWFQNSNDXCQ-UHFFFAOYSA-N -1 3 282.328 3.249 20 0 CGADHM COc1cc(C(=O)N[C@H]2CCCC[C@H]2C(C)C)ccc1[O-] ZINC000442956724 294943071 /nfs/dbraw/zinc/94/30/71/294943071.db2.gz KIAWQHGKCAWZJD-KBPBESRZSA-N -1 3 291.391 3.345 20 0 CGADHM COc1ccc(C(=O)N2C[C@H](C)[C@H]3CCCC[C@@H]32)c([O-])c1 ZINC000180563318 295093837 /nfs/dbraw/zinc/09/38/37/295093837.db2.gz ODQFXLWKQQWUPD-LNSITVRQSA-N -1 3 289.375 3.052 20 0 CGADHM Cc1cc(C(=O)N2CC[C@H](C)C[C@H](C)C2)ccc1[O-] ZINC000436936628 301116068 /nfs/dbraw/zinc/11/60/68/301116068.db2.gz UTEXJAAOAUQNNE-RYUDHWBXSA-N -1 3 261.365 3.209 20 0 CGADHM CCC[C@H]1CCCCN1C(=O)NCc1ccc([O-])c(F)c1 ZINC000186261381 327685639 /nfs/dbraw/zinc/68/56/39/327685639.db2.gz SXUGPZSVVTYQOQ-ZDUSSCGKSA-N -1 3 294.370 3.396 20 0 CGADHM CC(=O)c1cc(NCc2cc(=O)[n-]c(C3CC3)n2)ccc1C ZINC000582073035 327832575 /nfs/dbraw/zinc/83/25/75/327832575.db2.gz QCBPJZSMOGZFCE-UHFFFAOYSA-N -1 3 297.358 3.183 20 0 CGADHM C[C@@H]1c2ccc(F)cc2C[C@H](C)N1CCCCC(=O)[O-] ZINC000564092909 322020263 /nfs/dbraw/zinc/02/02/63/322020263.db2.gz PDRIMZXJXZRFDD-NWDGAFQWSA-N -1 3 279.355 3.388 20 0 CGADHM C[C@@H]1CCN(Cc2ncccc2[O-])[C@H](c2ccco2)C1 ZINC000564298401 322025891 /nfs/dbraw/zinc/02/58/91/322025891.db2.gz JQPHODUEALKBTN-OCCSQVGLSA-N -1 3 272.348 3.353 20 0 CGADHM C[C@H]1CCN(CCc2ccc(F)cc2Cl)C[C@H]1C(=O)[O-] ZINC000564969819 322051793 /nfs/dbraw/zinc/05/17/93/322051793.db2.gz CJXCKOJWJXLUPK-GXFFZTMASA-N -1 3 299.773 3.064 20 0 CGADHM CC(C)[C@@H](C(=O)N=c1cc2ccccn2[n-]1)c1ccccc1 ZINC000565320399 322073190 /nfs/dbraw/zinc/07/31/90/322073190.db2.gz BMYJBCRCLSLFEG-QGZVFWFLSA-N -1 3 293.370 3.135 20 0 CGADHM C[C@H](NCc1ccc(C(=O)[O-])o1)[C@@H](C)c1ccccc1 ZINC000565365886 322074745 /nfs/dbraw/zinc/07/47/45/322074745.db2.gz JOOQYPMZVUDOAR-NEPJUHHUSA-N -1 3 273.332 3.260 20 0 CGADHM C[C@@H](CN(C)Cc1cccc(C(=O)[O-])c1)c1nccs1 ZINC000566015276 322100957 /nfs/dbraw/zinc/10/09/57/322100957.db2.gz QABUZVMUIPMUJP-NSHDSACASA-N -1 3 290.388 3.077 20 0 CGADHM COc1cc(Cl)ccc1CN1C[C@@H](C(=O)[O-])CC[C@@H]1C ZINC000566678016 322134203 /nfs/dbraw/zinc/13/42/03/322134203.db2.gz LWTGGWFIZLLUQB-JQWIXIFHSA-N -1 3 297.782 3.034 20 0 CGADHM Cc1ccc(C2CC2)c(-c2nc(-c3cc(=O)[n-]cn3)no2)c1 ZINC000567612559 322170429 /nfs/dbraw/zinc/17/04/29/322170429.db2.gz UFEYXMQLTMGALW-UHFFFAOYSA-N -1 3 294.314 3.085 20 0 CGADHM O=C(c1cc([O-])c2ccccc2c1)N1CCC[C@H](F)C1 ZINC000567744710 322175494 /nfs/dbraw/zinc/17/54/94/322175494.db2.gz QUTMLDJSVWDNKF-ZDUSSCGKSA-N -1 3 273.307 3.120 20 0 CGADHM C[C@H]1C[C@H](C)N(Cc2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC000568066822 322191414 /nfs/dbraw/zinc/19/14/14/322191414.db2.gz DBRSPZKCSXFWKN-UWVGGRQHSA-N -1 3 267.756 3.269 20 0 CGADHM CO[C@@H]1CCCC[C@H]1C(=O)Nc1c([O-])cccc1Cl ZINC000568214489 322198574 /nfs/dbraw/zinc/19/85/74/322198574.db2.gz YRMHMCNRNXGOGM-BXKDBHETSA-N -1 3 283.755 3.189 20 0 CGADHM CC(=O)c1cccc(NC(=O)[C@H](C)C(C)(C)C)c1[O-] ZINC000568753005 322221341 /nfs/dbraw/zinc/22/13/41/322221341.db2.gz VANPMPZZZUGXAP-VIFPVBQESA-N -1 3 263.337 3.216 20 0 CGADHM CCCc1coc([N-]C(=O)c2snnc2C(C)(C)C)n1 ZINC000569351802 322244428 /nfs/dbraw/zinc/24/44/28/322244428.db2.gz OHRCXMBBUGSUSQ-UHFFFAOYSA-N -1 3 294.380 3.028 20 0 CGADHM Cc1ccccc1[C@@H](NCc1ncccc1[O-])C1CC1 ZINC000569531323 322249554 /nfs/dbraw/zinc/24/95/54/322249554.db2.gz FMPCZQKTSRPXIL-KRWDZBQOSA-N -1 3 268.360 3.337 20 0 CGADHM CC[C@H](c1ccc(F)cc1F)N1CC[C@H](C(=O)[O-])[C@@H]1C ZINC000569855794 322258981 /nfs/dbraw/zinc/25/89/81/322258981.db2.gz APQREHJUYGPZOG-NURSFMCSSA-N -1 3 283.318 3.211 20 0 CGADHM Cc1cccc([O-])c1NC(=O)c1cnc(C(C)(C)C)nc1 ZINC000570022924 322263117 /nfs/dbraw/zinc/26/31/17/322263117.db2.gz JLUYZZOJDNLYEZ-UHFFFAOYSA-N -1 3 285.347 3.040 20 0 CGADHM CCc1cc(C(=O)Nc2ccc(SC)nc2)ccc1[O-] ZINC000570620579 322277882 /nfs/dbraw/zinc/27/78/82/322277882.db2.gz QAHSHGDRDFWALB-UHFFFAOYSA-N -1 3 288.372 3.324 20 0 CGADHM COc1ccc(CN[C@H](CCC(C)(C)C)C(=O)[O-])c(F)c1 ZINC000570686012 322279597 /nfs/dbraw/zinc/27/95/97/322279597.db2.gz GIBXNFIEJZVPKA-CQSZACIVSA-N -1 3 297.370 3.203 20 0 CGADHM CCN(Cc1ccc(C)cc1)Cc1ncccc1[O-] ZINC000570725456 322280820 /nfs/dbraw/zinc/28/08/20/322280820.db2.gz CIAUAPSQBABAIZ-UHFFFAOYSA-N -1 3 256.349 3.118 20 0 CGADHM CC[C@@H](NCc1ncccc1[O-])c1ccc(OC)cc1 ZINC000572080069 322318831 /nfs/dbraw/zinc/31/88/31/322318831.db2.gz VLBVTXBYDGMPEB-CQSZACIVSA-N -1 3 272.348 3.037 20 0 CGADHM CC(C)(C)c1cnc(CNCC2(C(=O)[O-])CCCC2)s1 ZINC000572347125 322332967 /nfs/dbraw/zinc/33/29/67/322332967.db2.gz YWGSDUSKDXFMKH-UHFFFAOYSA-N -1 3 296.436 3.175 20 0 CGADHM CC(C)Oc1ccc([C@H](C)NCc2ncccc2[O-])cc1 ZINC000573525819 322392572 /nfs/dbraw/zinc/39/25/72/322392572.db2.gz KJYQGJCBLVRISL-ZDUSSCGKSA-N -1 3 286.375 3.425 20 0 CGADHM COc1cccc(-c2nc(-c3cc(C)cc(C)n3)no2)c1[O-] ZINC000389896901 328961275 /nfs/dbraw/zinc/96/12/75/328961275.db2.gz MUSNHLXUHQOFBB-UHFFFAOYSA-N -1 3 297.314 3.130 20 0 CGADHM CC(C)CN(CCC(=O)[O-])Cc1cc(F)ccc1Cl ZINC000582730514 329132059 /nfs/dbraw/zinc/13/20/59/329132059.db2.gz OODVXBVMFCGVHZ-UHFFFAOYSA-N -1 3 287.762 3.412 20 0 CGADHM Cc1ccccc1[C@@H](C)N(C)Cc1ccc(C(=O)[O-])o1 ZINC000576405840 335199898 /nfs/dbraw/zinc/19/98/98/335199898.db2.gz VOWLXEFPCKPPCU-GFCCVEGCSA-N -1 3 273.332 3.479 20 0 CGADHM O=C(NCc1ccc([O-])c(F)c1)NC1(C2CCC2)CCC1 ZINC000576562457 335219024 /nfs/dbraw/zinc/21/90/24/335219024.db2.gz IHZKCNBXCCSMPG-UHFFFAOYSA-N -1 3 292.354 3.053 20 0 CGADHM CSc1ccccc1CN1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000576880443 335259826 /nfs/dbraw/zinc/25/98/26/335259826.db2.gz PHCRPPPGUDIURP-ZDUSSCGKSA-N -1 3 291.416 3.095 20 0 CGADHM Cc1ccc([O-])c(CN2CC[C@@](F)(c3ccccc3)C2)n1 ZINC000577080336 335296659 /nfs/dbraw/zinc/29/66/59/335296659.db2.gz IVLXHKOXCONDDJ-KRWDZBQOSA-N -1 3 286.350 3.166 20 0 CGADHM COc1ccc(Cl)cc1CN(C[C@@H](C)C(=O)[O-])C1CC1 ZINC000577738239 335394547 /nfs/dbraw/zinc/39/45/47/335394547.db2.gz UVKLMKWVMUDMIK-SNVBAGLBSA-N -1 3 297.782 3.034 20 0 CGADHM CCOc1cc(-c2noc(C[C@@H]3C[C@@H]3C)n2)ccc1[O-] ZINC000350563966 335514357 /nfs/dbraw/zinc/51/43/57/335514357.db2.gz DJUPZLHSJJLGKK-ONGXEEELSA-N -1 3 274.320 3.039 20 0 CGADHM CC(C)Oc1cncc(-c2nc(-c3ccc([O-])cc3)no2)c1 ZINC000350563878 335514455 /nfs/dbraw/zinc/51/44/55/335514455.db2.gz CSXPPQSBPOFLFR-UHFFFAOYSA-N -1 3 297.314 3.291 20 0 CGADHM COc1cc(-c2noc(-c3cccs3)n2)ccc1[O-] ZINC000350566481 335514562 /nfs/dbraw/zinc/51/45/62/335514562.db2.gz CCRITBOPBWLGTD-UHFFFAOYSA-N -1 3 274.301 3.179 20 0 CGADHM [O-]c1ccc(-c2noc(-c3ccnn3C3CCCC3)n2)cc1 ZINC000350588686 335517203 /nfs/dbraw/zinc/51/72/03/335517203.db2.gz ZIQZYRGPOOGZAB-UHFFFAOYSA-N -1 3 296.330 3.421 20 0 CGADHM CCOc1cc(-c2noc([C@@H]3CCSC3)n2)ccc1[O-] ZINC000350797481 335534271 /nfs/dbraw/zinc/53/42/71/335534271.db2.gz XYPJUPLPROOAQU-SNVBAGLBSA-N -1 3 292.360 3.061 20 0 CGADHM Cc1cccc2c1ncc(C)c2N1CC[C@H](C(=O)[O-])[C@H]1C ZINC000579597726 335817968 /nfs/dbraw/zinc/81/79/68/335817968.db2.gz BCLPQZPRTWCWEJ-OLZOCXBDSA-N -1 3 284.359 3.151 20 0 CGADHM [O-]c1cccc(CNC[C@@H]2Cc3ccccc3O2)c1Cl ZINC000380882688 336038348 /nfs/dbraw/zinc/03/83/48/336038348.db2.gz CXSGFPUZUKHHEK-ZDUSSCGKSA-N -1 3 289.762 3.139 20 0 CGADHM CC(C)[C@H](C)CN=c1[n-]c(C(F)(F)F)cs1 ZINC000381120274 336050962 /nfs/dbraw/zinc/05/09/62/336050962.db2.gz IJCPBBREBRNEAT-SSDOTTSWSA-N -1 3 252.305 3.288 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CC(C)(C)[C@@H]3CCC[C@H]32)c1 ZINC000381122928 336051103 /nfs/dbraw/zinc/05/11/03/336051103.db2.gz LZOVXSQTJRHBSB-ZIAGYGMSSA-N -1 3 273.376 3.351 20 0 CGADHM C[C@@H](NC(=O)c1c([O-])cccc1O)[C@@H]1CC2CCC1CC2 ZINC000381512284 336067153 /nfs/dbraw/zinc/06/71/53/336067153.db2.gz LBACUYWBBYTWKY-XVSSEFHLSA-N -1 3 289.375 3.042 20 0 CGADHM CCc1cccc(C(=O)N2CC(c3ccccc3F)C2)c1[O-] ZINC000581522449 336093700 /nfs/dbraw/zinc/09/37/00/336093700.db2.gz NGMWKBOBBMCINM-UHFFFAOYSA-N -1 3 299.345 3.333 20 0 CGADHM Cc1cccc(C(=O)NC(C)(C)c2ccccc2)c1[O-] ZINC000383629166 336115862 /nfs/dbraw/zinc/11/58/62/336115862.db2.gz XVZYHXALPHDOLP-UHFFFAOYSA-N -1 3 269.344 3.366 20 0 CGADHM O=C(NCc1ccc([O-])c(F)c1)N1CCCC2(CC2)CC1 ZINC000636823420 501059125 /nfs/dbraw/zinc/05/91/25/501059125.db2.gz QSUQTVWHYPVIEO-UHFFFAOYSA-N -1 3 292.354 3.007 20 0 CGADHM C[C@H](NC(=O)c1ccc(O)cc1[O-])[C@@H](C)c1ccccc1 ZINC000175547253 533755299 /nfs/dbraw/zinc/75/52/99/533755299.db2.gz ZNISIOJLSBLHAJ-NEPJUHHUSA-N -1 3 285.343 3.020 20 0 CGADHM Cc1ccc(CCNC(=O)c2ccc([O-])c(C)c2)c(C)c1 ZINC000436924456 533803955 /nfs/dbraw/zinc/80/39/55/533803955.db2.gz FSLJAEOWTFNMPK-UHFFFAOYSA-N -1 3 283.371 3.290 20 0 CGADHM C[C@@H]1CCN(C(=O)Cc2ccc([O-])cc2Cl)[C@H](C)C1 ZINC000153359036 533954405 /nfs/dbraw/zinc/95/44/05/533954405.db2.gz UWCRMYPLRAHKFP-GHMZBOCLSA-N -1 3 281.783 3.235 20 0 CGADHM C[C@@H]1CCN(C(=O)c2ccc3c(c2[O-])CCCC3)C[C@H]1C ZINC000436989346 534009476 /nfs/dbraw/zinc/00/94/76/534009476.db2.gz QZUXHWMBBJITMM-CHWSQXEVSA-N -1 3 287.403 3.389 20 0 CGADHM Cc1ccc2c(c1)CC[C@H]2NC(=O)c1cc(C)ccc1[O-] ZINC000436671831 534418778 /nfs/dbraw/zinc/41/87/78/534418778.db2.gz AXVOJXDDLZNYLN-MRXNPFEDSA-N -1 3 281.355 3.426 20 0 CGADHM O=C([O-])[C@@H](NC/C=C\c1ccc(F)cc1)c1ccccc1 ZINC000426769462 534513229 /nfs/dbraw/zinc/51/32/29/534513229.db2.gz JDMLARVSWFILDD-AWFCHZOYSA-N -1 3 285.318 3.254 20 0 CGADHM O=C([O-])[C@@H]1CC[C@H](NCc2c(Cl)cccc2Cl)C1 ZINC000424622903 534524934 /nfs/dbraw/zinc/52/49/34/534524934.db2.gz QHFFFSHPQGFRMQ-BDAKNGLRSA-N -1 3 288.174 3.336 20 0 CGADHM Cc1cccc(C(=O)N2CCc3c2c(F)ccc3F)c1[O-] ZINC000436908854 534596908 /nfs/dbraw/zinc/59/69/08/534596908.db2.gz WVFJMUOEQGZFND-UHFFFAOYSA-N -1 3 289.281 3.182 20 0 CGADHM Cc1cccc(C(=O)NCC(C)(C)c2ncccc2C)c1[O-] ZINC000436620873 534599803 /nfs/dbraw/zinc/59/98/03/534599803.db2.gz WYGALMUYPAFIKJ-UHFFFAOYSA-N -1 3 298.386 3.112 20 0 CGADHM Cc1cccc(C(=O)NCC[C@@H]2C[C@@H](C)O[C@@H](C)C2)c1[O-] ZINC000436699965 534605100 /nfs/dbraw/zinc/60/51/00/534605100.db2.gz SGPVXXLVYFETFK-BTTYYORXSA-N -1 3 291.391 3.024 20 0 CGADHM Cc1scc(C(=O)N=c2cc(-c3ccccc3)[n-][nH]2)c1C ZINC000359196643 534619211 /nfs/dbraw/zinc/61/92/11/534619211.db2.gz UJJNJNJKWQWJFS-UHFFFAOYSA-N -1 3 297.383 3.429 20 0 CGADHM COCCC(C)(C)C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000184181946 522971725 /nfs/dbraw/zinc/97/17/25/522971725.db2.gz RMYJXAATQHWNKU-UHFFFAOYSA-N -1 3 285.771 3.355 20 0 CGADHM Cc1cc(C(=O)[N-]c2cc(Br)ccc2F)on1 ZINC000110648194 524159961 /nfs/dbraw/zinc/15/99/61/524159961.db2.gz WCRRLGOGZOLBJX-UHFFFAOYSA-N -1 3 299.099 3.137 20 0 CGADHM Cc1cccc(C(=O)N(C)C[C@H](C)c2nccs2)c1[O-] ZINC000184919368 524162744 /nfs/dbraw/zinc/16/27/44/524162744.db2.gz OYWQUFLVGFROQS-NSHDSACASA-N -1 3 290.388 3.033 20 0 CGADHM Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccco2)c([O-])c1 ZINC000049412256 525207685 /nfs/dbraw/zinc/20/76/85/525207685.db2.gz AHEKUJXPNTZJEA-GHMZBOCLSA-N -1 3 257.289 3.036 20 0 CGADHM CC(=O)c1cccc(NC(=O)[C@@H]2CCC(C)(C)C2)c1[O-] ZINC000516069136 534891956 /nfs/dbraw/zinc/89/19/56/534891956.db2.gz UYSKNFSMLCRAIF-LLVKDONJSA-N -1 3 275.348 3.360 20 0 CGADHM C[C@@H](c1ccccc1Cl)N(CCC(=O)[O-])C1CC1 ZINC000083663384 526103542 /nfs/dbraw/zinc/10/35/42/526103542.db2.gz VFDNKCOWSITHOI-JTQLQIEISA-N -1 3 267.756 3.340 20 0 CGADHM O=C([O-])[C@H](NCc1cc(F)cc(Cl)c1)c1ccccc1 ZINC000160925970 526313122 /nfs/dbraw/zinc/31/31/22/526313122.db2.gz FRRJLQFPCVJUSA-CQSZACIVSA-N -1 3 293.725 3.395 20 0 CGADHM CC(C)(C)c1cc(C(=O)Nc2cc(F)ccc2[O-])no1 ZINC000436813637 526752270 /nfs/dbraw/zinc/75/22/70/526752270.db2.gz PPQCJFOJCADQSJ-UHFFFAOYSA-N -1 3 278.283 3.069 20 0 CGADHM CC(C)(CNC(=O)c1c([O-])cccc1O)C1=CCCCC1 ZINC000436618390 527159505 /nfs/dbraw/zinc/15/95/05/527159505.db2.gz LDYLOHIMLYZHTJ-UHFFFAOYSA-N -1 3 289.375 3.354 20 0 CGADHM CC(=O)c1ccc(C(=O)N2CCCCC(C)(C)C2)cc1[O-] ZINC000412270429 527239937 /nfs/dbraw/zinc/23/99/37/527239937.db2.gz AAGSWAZASSAFOY-UHFFFAOYSA-N -1 3 289.375 3.247 20 0 CGADHM CC(=O)c1ccc(C(=O)N[C@@H]2CC[C@H](C)[C@H](C)C2)cc1[O-] ZINC000412242779 527262978 /nfs/dbraw/zinc/26/29/78/527262978.db2.gz ADFVGWQCQJVLED-MISXGVKJSA-N -1 3 289.375 3.149 20 0 CGADHM CC(C)(C)C[C@H](NCc1ccsc1Cl)C(=O)[O-] ZINC000426775598 527702043 /nfs/dbraw/zinc/70/20/43/527702043.db2.gz BTKILSPNTCVWJF-VIFPVBQESA-N -1 3 275.801 3.381 20 0 CGADHM CCC[C@@H]1CCC[C@H]1C(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000448892465 527762406 /nfs/dbraw/zinc/76/24/06/527762406.db2.gz CDGJAZDALOLDRS-GHMZBOCLSA-N -1 3 288.351 3.220 20 0 CGADHM CCC[C@@H]1CCC[C@H]1C(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000448892465 527762410 /nfs/dbraw/zinc/76/24/10/527762410.db2.gz CDGJAZDALOLDRS-GHMZBOCLSA-N -1 3 288.351 3.220 20 0 CGADHM CCC[C@@H]1CCC[C@H]1C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000448892465 527762414 /nfs/dbraw/zinc/76/24/14/527762414.db2.gz CDGJAZDALOLDRS-GHMZBOCLSA-N -1 3 288.351 3.220 20 0 CGADHM CCN=c1[n-]c(C(=O)N2CCCC[C@H]2[C@@H](C)CC)cs1 ZINC000357914310 527997931 /nfs/dbraw/zinc/99/79/31/527997931.db2.gz SJMZCROPVOFIJS-AAEUAGOBSA-N -1 3 295.452 3.038 20 0 CGADHM CC1=C(C)CN(C(=O)c2cc3c(cc2[O-])CCCC3)CC1 ZINC000436593866 528089836 /nfs/dbraw/zinc/08/98/36/528089836.db2.gz DZADQLWSSMUXDJ-UHFFFAOYSA-N -1 3 285.387 3.453 20 0 CGADHM CCOC(=O)c1cccc(NC(=O)c2ccc([O-])c(C)c2)c1 ZINC000436919379 528253646 /nfs/dbraw/zinc/25/36/46/528253646.db2.gz BXCMOPFHOSZDCK-UHFFFAOYSA-N -1 3 299.326 3.130 20 0 CGADHM CCOc1cc(F)ccc1NC(=O)c1ccc(C)cc1[O-] ZINC000436521797 528307016 /nfs/dbraw/zinc/30/70/16/528307016.db2.gz OUGMDZNGMFVZIH-UHFFFAOYSA-N -1 3 289.306 3.491 20 0 CGADHM CCCCN(C(=O)c1ccc([O-])c(CC)c1)C1CC1 ZINC000436680190 528311897 /nfs/dbraw/zinc/31/18/97/528311897.db2.gz JEAUKPLUPGTSCO-UHFFFAOYSA-N -1 3 261.365 3.359 20 0 CGADHM CCC[C@]1(COC)CCCN1C(=O)c1cc(C)ccc1[O-] ZINC000436721479 528526276 /nfs/dbraw/zinc/52/62/76/528526276.db2.gz LPODXZDBMDGWJQ-QGZVFWFLSA-N -1 3 291.391 3.122 20 0 CGADHM CC1(C)CCC(C(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000151322126 528896605 /nfs/dbraw/zinc/89/66/05/528896605.db2.gz OYZIWANAPZVERV-UHFFFAOYSA-N -1 3 299.378 3.022 20 0 CGADHM CC1(C)CCC(C(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000151322126 528896609 /nfs/dbraw/zinc/89/66/09/528896609.db2.gz OYZIWANAPZVERV-UHFFFAOYSA-N -1 3 299.378 3.022 20 0 CGADHM CC(C)[C@H](C)SCc1cc(=O)[n-]c(C2CC2)n1 ZINC000413004127 528973714 /nfs/dbraw/zinc/97/37/14/528973714.db2.gz YGKPYBOQAAXPFK-VIFPVBQESA-N -1 3 252.383 3.337 20 0 CGADHM CCN(C(=O)c1ccc(OC)cc1[O-])[C@@H]1CCCC[C@H]1C ZINC000171242925 529085668 /nfs/dbraw/zinc/08/56/68/529085668.db2.gz CBEHPWGGWQECFL-IUODEOHRSA-N -1 3 291.391 3.442 20 0 CGADHM CC[C@H]1CCCC[C@@H]1NC(=O)Cc1ccc([O-])c(F)c1 ZINC000448691030 529206223 /nfs/dbraw/zinc/20/62/23/529206223.db2.gz OGJTYJZTBRQWHL-JSGCOSHPSA-N -1 3 279.355 3.159 20 0 CGADHM CCS[C@@H]1CC[C@@H](N(C)C(=O)c2ccc(C)cc2[O-])C1 ZINC000175393246 529218951 /nfs/dbraw/zinc/21/89/51/529218951.db2.gz ZSXNDIFQDZBXAQ-CHWSQXEVSA-N -1 3 293.432 3.447 20 0 CGADHM CCS[C@H]1CC[C@H](N(C)C(=O)c2cc(C)ccc2[O-])C1 ZINC000175393308 529234037 /nfs/dbraw/zinc/23/40/37/529234037.db2.gz CRGOLIACHQBBSK-STQMWFEESA-N -1 3 293.432 3.447 20 0 CGADHM CC[C@H](C)n1nc(C(=O)Nc2ccc([O-])cc2F)cc1C ZINC000436750465 529286864 /nfs/dbraw/zinc/28/68/64/529286864.db2.gz XHMPERKPNJWERE-VIFPVBQESA-N -1 3 291.326 3.260 20 0 CGADHM CCc1ccc(C(=O)N(C)[C@H](C)c2ccncc2)c([O-])c1 ZINC000190564646 536164495 /nfs/dbraw/zinc/16/44/95/536164495.db2.gz ICEDGTYPUVRPBI-GFCCVEGCSA-N -1 3 284.359 3.183 20 0 CGADHM CCSCCOC(=O)c1cc2ccsc2[n-]1 ZINC000727630548 571757818 /nfs/dbraw/zinc/75/78/18/571757818.db2.gz WDNPSEUCNIEHHZ-UHFFFAOYSA-N -1 3 255.364 3.139 20 0 CGADHM Fc1cccc(CCCNc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737666518 571687492 /nfs/dbraw/zinc/68/74/92/571687492.db2.gz MCVRYFGKNHOVBW-UHFFFAOYSA-N -1 3 297.337 3.051 20 0 CGADHM Fc1cccc(CCCNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737666518 571687496 /nfs/dbraw/zinc/68/74/96/571687496.db2.gz MCVRYFGKNHOVBW-UHFFFAOYSA-N -1 3 297.337 3.051 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])[C@H]1CC[C@H](C(F)(F)F)C1 ZINC000336358788 571804355 /nfs/dbraw/zinc/80/43/55/571804355.db2.gz WZKBHQLUGGQDBF-YUMQZZPRSA-N -1 3 291.244 3.448 20 0 CGADHM O=C(Nc1cccc([O-])c1F)c1coc(C2CCC2)n1 ZINC000192833319 572358549 /nfs/dbraw/zinc/35/85/49/572358549.db2.gz DLHYFFYYXRFMJG-UHFFFAOYSA-N -1 3 276.267 3.039 20 0 CGADHM CCN(Cn1[n-]c(C(C)(C)C)nc1=S)C1CCC1 ZINC000738053770 572364711 /nfs/dbraw/zinc/36/47/11/572364711.db2.gz MGUNGOCDWVTEJO-UHFFFAOYSA-N -1 3 268.430 3.070 20 0 CGADHM c1csc(CN(c2ccc(-c3nnn[n-]3)cc2)C2CC2)c1 ZINC000738452240 572376513 /nfs/dbraw/zinc/37/65/13/572376513.db2.gz MLAOUBRIPGWWCN-UHFFFAOYSA-N -1 3 297.387 3.097 20 0 CGADHM c1csc(CN(c2ccc(-c3nn[n-]n3)cc2)C2CC2)c1 ZINC000738452240 572376516 /nfs/dbraw/zinc/37/65/16/572376516.db2.gz MLAOUBRIPGWWCN-UHFFFAOYSA-N -1 3 297.387 3.097 20 0 CGADHM C[C@H](NC[C@@H]1CCCN(C(=O)[O-])C1)c1cc(F)ccc1F ZINC000739036275 572399208 /nfs/dbraw/zinc/39/92/08/572399208.db2.gz RYJRKGXJURWEPF-QWRGUYRKSA-N -1 3 298.333 3.005 20 0 CGADHM C[C@H](NCCC1CCN(C(=O)[O-])CC1)c1ccccc1F ZINC000739030524 572399273 /nfs/dbraw/zinc/39/92/73/572399273.db2.gz BQICUBPJWNXVET-LBPRGKRZSA-N -1 3 294.370 3.256 20 0 CGADHM CCCN(Cc1ccccc1F)C[C@H]1CCN(C(=O)[O-])C1 ZINC000739360812 572412205 /nfs/dbraw/zinc/41/22/05/572412205.db2.gz XLKYQCBXATUTBP-CYBMUJFWSA-N -1 3 294.370 3.038 20 0 CGADHM C/C(=C/C(=O)[N-]OCc1ccccc1)c1cccc(F)c1 ZINC000732053054 572446996 /nfs/dbraw/zinc/44/69/96/572446996.db2.gz XYUJHJQZYDLNFY-RAXLEYEMSA-N -1 3 285.318 3.477 20 0 CGADHM CC[C@@H](c1ccc(Cl)cc1)N1CC[C@@H](CNC(=O)[O-])C1 ZINC000739279691 572540889 /nfs/dbraw/zinc/54/08/89/572540889.db2.gz SEVPIPQPQYUNBI-FZMZJTMJSA-N -1 3 296.798 3.381 20 0 CGADHM Cc1ccc(F)c(S(=O)(=O)[N-][C@H]2[C@H](C)CCC[C@@H]2C)c1 ZINC000735081018 572700186 /nfs/dbraw/zinc/70/01/86/572700186.db2.gz KFGACDZQQZEMOH-JYAVWHMHSA-N -1 3 299.411 3.237 20 0 CGADHM CC(C)n1ccc(COC(=O)c2cc3ccsc3[n-]2)n1 ZINC000735127975 572702932 /nfs/dbraw/zinc/70/29/32/572702932.db2.gz OLPPMFCTFJPFOJ-UHFFFAOYSA-N -1 3 289.360 3.364 20 0 CGADHM CC(C)(CNc1ccc(-c2nnn[n-]2)cc1)c1cccs1 ZINC000735670645 572736414 /nfs/dbraw/zinc/73/64/14/572736414.db2.gz GALBDYZJZLMCPR-UHFFFAOYSA-N -1 3 299.403 3.318 20 0 CGADHM CC(C)(CNc1ccc(-c2nn[n-]n2)cc1)c1cccs1 ZINC000735670645 572736416 /nfs/dbraw/zinc/73/64/16/572736416.db2.gz GALBDYZJZLMCPR-UHFFFAOYSA-N -1 3 299.403 3.318 20 0 CGADHM CC(C)OCCS[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000735905216 572748674 /nfs/dbraw/zinc/74/86/74/572748674.db2.gz YNVOVCRREKCTIU-NSHDSACASA-N -1 3 292.408 3.086 20 0 CGADHM CC(C)OCCS[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000735905216 572748679 /nfs/dbraw/zinc/74/86/79/572748679.db2.gz YNVOVCRREKCTIU-NSHDSACASA-N -1 3 292.408 3.086 20 0 CGADHM CC(C)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735892099 572750496 /nfs/dbraw/zinc/75/04/96/572750496.db2.gz CYZHQUJEYOLGPH-UHFFFAOYSA-N -1 3 295.346 3.479 20 0 CGADHM CC(C)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735892099 572750500 /nfs/dbraw/zinc/75/05/00/572750500.db2.gz CYZHQUJEYOLGPH-UHFFFAOYSA-N -1 3 295.346 3.479 20 0 CGADHM C[C@@H](CSc1ccc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC000736046510 572765358 /nfs/dbraw/zinc/76/53/58/572765358.db2.gz KQBHAVWUHYHWKQ-NSHDSACASA-N -1 3 297.387 3.158 20 0 CGADHM C[C@@H](CSc1ccc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC000736046510 572765360 /nfs/dbraw/zinc/76/53/60/572765360.db2.gz KQBHAVWUHYHWKQ-NSHDSACASA-N -1 3 297.387 3.158 20 0 CGADHM C[C@@H]1CC[C@H](Nc2ccc(-c3nnn[n-]3)cc2)[C@H](C)C1 ZINC000736242167 572774234 /nfs/dbraw/zinc/77/42/34/572774234.db2.gz PXLZYURHAMUFGB-GYSYKLTISA-N -1 3 271.368 3.103 20 0 CGADHM C[C@@H]1CC[C@H](Nc2ccc(-c3nn[n-]n3)cc2)[C@H](C)C1 ZINC000736242167 572774238 /nfs/dbraw/zinc/77/42/38/572774238.db2.gz PXLZYURHAMUFGB-GYSYKLTISA-N -1 3 271.368 3.103 20 0 CGADHM CC[C@@H]1CCCN(c2cc(Cl)ccc2-c2nnn[n-]2)C1 ZINC000736403069 572786991 /nfs/dbraw/zinc/78/69/91/572786991.db2.gz RNVBPLAMYZSGLN-SNVBAGLBSA-N -1 3 291.786 3.147 20 0 CGADHM CC[C@@H]1CCCN(c2cc(Cl)ccc2-c2nn[n-]n2)C1 ZINC000736403069 572786993 /nfs/dbraw/zinc/78/69/93/572786993.db2.gz RNVBPLAMYZSGLN-SNVBAGLBSA-N -1 3 291.786 3.147 20 0 CGADHM CCCC[C@H]1CCC[C@H]1Nc1ncccc1-c1nnn[n-]1 ZINC000736441515 572792220 /nfs/dbraw/zinc/79/22/20/572792220.db2.gz RGVLKSMSKSRNOS-WCQYABFASA-N -1 3 286.383 3.033 20 0 CGADHM CCCC[C@H]1CCC[C@H]1Nc1ncccc1-c1nn[n-]n1 ZINC000736441515 572792224 /nfs/dbraw/zinc/79/22/24/572792224.db2.gz RGVLKSMSKSRNOS-WCQYABFASA-N -1 3 286.383 3.033 20 0 CGADHM CCCCNc1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC000736461467 572794285 /nfs/dbraw/zinc/79/42/85/572794285.db2.gz QXMHMUMSKSZNRF-UHFFFAOYSA-N -1 3 285.273 3.098 20 0 CGADHM CCCCNc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000736461467 572794289 /nfs/dbraw/zinc/79/42/89/572794289.db2.gz QXMHMUMSKSZNRF-UHFFFAOYSA-N -1 3 285.273 3.098 20 0 CGADHM CCCSc1nc(-c2ccccc2)ccc1-c1nnn[n-]1 ZINC000736497717 572795451 /nfs/dbraw/zinc/79/54/51/572795451.db2.gz LPLQRYFVTYGHHH-UHFFFAOYSA-N -1 3 297.387 3.431 20 0 CGADHM CCCSc1nc(-c2ccccc2)ccc1-c1nn[n-]n1 ZINC000736497717 572795456 /nfs/dbraw/zinc/79/54/56/572795456.db2.gz LPLQRYFVTYGHHH-UHFFFAOYSA-N -1 3 297.387 3.431 20 0 CGADHM Cc1ccc([O-])c(C(=O)N[C@H](c2ccccn2)C(C)C)c1 ZINC000736505642 572796978 /nfs/dbraw/zinc/79/69/78/572796978.db2.gz URKKLQUCYKJHDD-INIZCTEOSA-N -1 3 284.359 3.223 20 0 CGADHM CCN(Cc1ccoc1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736555014 572799401 /nfs/dbraw/zinc/79/94/01/572799401.db2.gz BDVGZRTZSNHHTN-GFCCVEGCSA-N -1 3 297.362 3.043 20 0 CGADHM Cc1ccc([O-])c(C(=O)NCc2ccnc3ccccc23)c1 ZINC000748806565 572984943 /nfs/dbraw/zinc/98/49/43/572984943.db2.gz OYESGWSPHHIHTI-UHFFFAOYSA-N -1 3 292.338 3.179 20 0 CGADHM CC(C)CO[N-]C(=O)Nc1ccc2c(cnn2C(F)F)c1 ZINC000750354508 573112888 /nfs/dbraw/zinc/11/28/88/573112888.db2.gz QJNYPGAEPKZUAH-UHFFFAOYSA-N -1 3 298.293 3.141 20 0 CGADHM O=C([O-])c1ccc(CN[C@H]2CCCOc3ccccc32)cc1 ZINC000263449228 597243817 /nfs/dbraw/zinc/24/38/17/597243817.db2.gz ZAMZJGXDOWXMCR-INIZCTEOSA-N -1 3 297.354 3.388 20 0 CGADHM CCc1ccccc1NCc1ccc(-c2nnn[n-]2)s1 ZINC000821496170 607307795 /nfs/dbraw/zinc/30/77/95/607307795.db2.gz DRCRAURVWGALKT-UHFFFAOYSA-N -1 3 285.376 3.103 20 0 CGADHM C[C@@H]1CCCN(c2c(Cl)cccc2-c2nnn[n-]2)CC1 ZINC000820711447 599502934 /nfs/dbraw/zinc/50/29/34/599502934.db2.gz ZFOVGEFKJPXFKT-SNVBAGLBSA-N -1 3 291.786 3.147 20 0 CGADHM C[C@@H]1CCCN(c2c(Cl)cccc2-c2nn[n-]n2)CC1 ZINC000820711447 599502937 /nfs/dbraw/zinc/50/29/37/599502937.db2.gz ZFOVGEFKJPXFKT-SNVBAGLBSA-N -1 3 291.786 3.147 20 0 CGADHM C[C@@H]1CCC[C@H](C)N(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000820697644 599584726 /nfs/dbraw/zinc/58/47/26/599584726.db2.gz JUQCFEQMMADZQO-MNOVXSKESA-N -1 3 289.358 3.021 20 0 CGADHM C[C@@H]1CCC[C@H](C)N(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000820697644 599584729 /nfs/dbraw/zinc/58/47/29/599584729.db2.gz JUQCFEQMMADZQO-MNOVXSKESA-N -1 3 289.358 3.021 20 0 CGADHM C/C(=C/CN(C)Cc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000825729985 601153802 /nfs/dbraw/zinc/15/38/02/601153802.db2.gz PFDRBNVFRRIUEH-UITAMQMPSA-N -1 3 288.174 3.456 20 0 CGADHM COc1ccc(C)cc1[C@H](C)N[C@H](C(=O)[O-])c1ccccc1 ZINC000315179713 601457319 /nfs/dbraw/zinc/45/73/19/601457319.db2.gz IORXIKCTUGXJFB-GUYCJALGSA-N -1 3 299.370 3.480 20 0 CGADHM Cc1cc(CN2CC[C@H]2Cc2ccccc2)oc1C(=O)[O-] ZINC000832883307 601564076 /nfs/dbraw/zinc/56/40/76/601564076.db2.gz SBGURGIBQRAKQG-AWEZNQCLSA-N -1 3 285.343 3.103 20 0 CGADHM Cc1ccccc1CN(C)Cc1ccc(C(=O)[O-])c(F)c1 ZINC000234282581 601613919 /nfs/dbraw/zinc/61/39/19/601613919.db2.gz MALJJSBACJPPHT-UHFFFAOYSA-N -1 3 287.334 3.464 20 0 CGADHM CC(C)(C)c1csc(CNC(C)(C)CCC(=O)[O-])n1 ZINC000826541935 601826762 /nfs/dbraw/zinc/82/67/62/601826762.db2.gz BQVLWVHOBWOANY-UHFFFAOYSA-N -1 3 284.425 3.174 20 0 CGADHM C[C@@H](c1cccc(O)c1)N(C)Cc1ccc(C(=O)[O-])s1 ZINC000827940265 601952188 /nfs/dbraw/zinc/95/21/88/601952188.db2.gz GDMOTPIQYYSNFD-JTQLQIEISA-N -1 3 291.372 3.345 20 0 CGADHM CC(C)CC1CCN(Cc2ccoc2C(=O)[O-])CC1 ZINC000826840869 602229463 /nfs/dbraw/zinc/22/94/63/602229463.db2.gz QFBXHEFBPOHEIG-UHFFFAOYSA-N -1 3 265.353 3.236 20 0 CGADHM C[C@@H](NCC[C@H]1CCN(C(=O)[O-])C1)c1c(F)cccc1F ZINC000825490883 604290149 /nfs/dbraw/zinc/29/01/49/604290149.db2.gz ROZJIYYDHNJQIR-MNOVXSKESA-N -1 3 298.333 3.005 20 0 CGADHM C[C@H](NCC[C@H]1CCN(C(=O)[O-])C1)c1c(F)cccc1F ZINC000825490884 604290361 /nfs/dbraw/zinc/29/03/61/604290361.db2.gz ROZJIYYDHNJQIR-QWRGUYRKSA-N -1 3 298.333 3.005 20 0 CGADHM CC(C)(CC(=O)[O-])NCc1c(Cl)cccc1Cl ZINC000703257802 604442025 /nfs/dbraw/zinc/44/20/25/604442025.db2.gz QMMDKSDDGYEBHI-UHFFFAOYSA-N -1 3 276.163 3.336 20 0 CGADHM O=C([O-])c1cc(CN2CCC[C@@H]2c2cccs2)c[nH]1 ZINC000833780532 604522328 /nfs/dbraw/zinc/52/23/28/604522328.db2.gz YRFJKLHDLTUGIL-GFCCVEGCSA-N -1 3 276.361 3.112 20 0 CGADHM C[C@@H](c1ccc(F)cc1)N(C)Cc1c[nH]c(C(=O)[O-])c1 ZINC000833548620 604523484 /nfs/dbraw/zinc/52/34/84/604523484.db2.gz QPUMKRLKIQGBRE-JTQLQIEISA-N -1 3 276.311 3.045 20 0 CGADHM O=C([O-])[C@@H](NCc1cccc2ccccc21)c1cccnc1 ZINC000833170516 604998839 /nfs/dbraw/zinc/99/88/39/604998839.db2.gz WTZBURLLWUHNMM-KRWDZBQOSA-N -1 3 292.338 3.150 20 0 CGADHM CCc1oc(C(=O)[O-])cc1CN[C@@H](C)c1ccccc1 ZINC000833680067 605124864 /nfs/dbraw/zinc/12/48/64/605124864.db2.gz CNYPIMLVHLPPGV-NSHDSACASA-N -1 3 273.332 3.391 20 0 CGADHM O=C([O-])N[C@@H]1C[C@@H](NCc2ccsc2)c2ccccc21 ZINC000834156477 605792027 /nfs/dbraw/zinc/79/20/27/605792027.db2.gz AKNDCVGHIXTLBM-ZIAGYGMSSA-N -1 3 288.372 3.291 20 0 CGADHM C[C@H](C1CC1)N(C)Cc1cc(C(=O)[O-])ccc1Cl ZINC000833514506 605829675 /nfs/dbraw/zinc/82/96/75/605829675.db2.gz ZICOLYYBEOSDTR-SECBINFHSA-N -1 3 267.756 3.269 20 0 CGADHM Cc1cc([C@H](C)Nc2ccc(-c3nn[n-]n3)cc2)ccc1F ZINC000822191288 606431312 /nfs/dbraw/zinc/43/13/12/606431312.db2.gz HOBDQSHEWFSINE-NSHDSACASA-N -1 3 297.337 3.487 20 0 CGADHM Clc1ccc(-c2nnn[n-]2)c(OCc2ccccc2)c1 ZINC000822567396 606781808 /nfs/dbraw/zinc/78/18/08/606781808.db2.gz ACZMDRMHGZPMFV-UHFFFAOYSA-N -1 3 286.722 3.099 20 0 CGADHM Clc1ccc(-c2nn[n-]n2)c(OCc2ccccc2)c1 ZINC000822567396 606781809 /nfs/dbraw/zinc/78/18/09/606781809.db2.gz ACZMDRMHGZPMFV-UHFFFAOYSA-N -1 3 286.722 3.099 20 0 CGADHM CC[C@H](C)CSCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000820870219 606795845 /nfs/dbraw/zinc/79/58/45/606795845.db2.gz PFEYOWDCDXEGJP-NSHDSACASA-N -1 3 292.408 3.025 20 0 CGADHM CC[C@@H](C)CSCCOc1cccc(-c2nnn[n-]2)c1 ZINC000820870695 606795860 /nfs/dbraw/zinc/79/58/60/606795860.db2.gz XRSSWTOMLYJXPF-LLVKDONJSA-N -1 3 292.408 3.025 20 0 CGADHM CC[C@@H](C)CSCCOc1cccc(-c2nn[n-]n2)c1 ZINC000820870695 606795861 /nfs/dbraw/zinc/79/58/61/606795861.db2.gz XRSSWTOMLYJXPF-LLVKDONJSA-N -1 3 292.408 3.025 20 0 CGADHM CC(C)CSCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000820103435 606840779 /nfs/dbraw/zinc/84/07/79/606840779.db2.gz ZCDWAHAHRLKYDD-UHFFFAOYSA-N -1 3 292.408 3.025 20 0 CGADHM CC(C)CSCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000820103435 606840781 /nfs/dbraw/zinc/84/07/81/606840781.db2.gz ZCDWAHAHRLKYDD-UHFFFAOYSA-N -1 3 292.408 3.025 20 0 CGADHM FC1(F)CC[C@@H](Nc2ccc(Cl)cc2-c2nnn[n-]2)C1 ZINC000822737402 606882277 /nfs/dbraw/zinc/88/22/77/606882277.db2.gz UDFXFHFGOACLJA-MRVPVSSYSA-N -1 3 299.712 3.120 20 0 CGADHM FC1(F)CC[C@@H](Nc2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC000822737402 606882279 /nfs/dbraw/zinc/88/22/79/606882279.db2.gz UDFXFHFGOACLJA-MRVPVSSYSA-N -1 3 299.712 3.120 20 0 CGADHM Fc1ccc(-c2nnn[n-]2)c(CSc2cccs2)c1 ZINC000822758656 607040248 /nfs/dbraw/zinc/04/02/48/607040248.db2.gz VGWJEZINNNIXBM-UHFFFAOYSA-N -1 3 292.364 3.360 20 0 CGADHM Fc1ccc(-c2nn[n-]n2)c(CSc2cccs2)c1 ZINC000822758656 607040250 /nfs/dbraw/zinc/04/02/50/607040250.db2.gz VGWJEZINNNIXBM-UHFFFAOYSA-N -1 3 292.364 3.360 20 0 CGADHM C[C@H](COc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000820291956 607236536 /nfs/dbraw/zinc/23/65/36/607236536.db2.gz AZQFWZZEVLJKOQ-GFCCVEGCSA-N -1 3 280.331 3.049 20 0 CGADHM C[C@H](COc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000820291956 607236537 /nfs/dbraw/zinc/23/65/37/607236537.db2.gz AZQFWZZEVLJKOQ-GFCCVEGCSA-N -1 3 280.331 3.049 20 0 CGADHM CC[C@H]1CC[C@@H](C)N1c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825195671 608237628 /nfs/dbraw/zinc/23/76/28/608237628.db2.gz XTBWUXSKUDYNON-ZJUUUORDSA-N -1 3 291.786 3.287 20 0 CGADHM CC[C@H]1CC[C@@H](C)N1c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825195671 608237630 /nfs/dbraw/zinc/23/76/30/608237630.db2.gz XTBWUXSKUDYNON-ZJUUUORDSA-N -1 3 291.786 3.287 20 0 CGADHM CC[C@H](CSC)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825128244 608416724 /nfs/dbraw/zinc/41/67/24/608416724.db2.gz SDYVHKGSZXTULB-MRVPVSSYSA-N -1 3 297.815 3.074 20 0 CGADHM CC[C@H](CSC)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825128244 608416725 /nfs/dbraw/zinc/41/67/25/608416725.db2.gz SDYVHKGSZXTULB-MRVPVSSYSA-N -1 3 297.815 3.074 20 0 CGADHM Cc1cnc([C@@H](C)Sc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000826317763 608886186 /nfs/dbraw/zinc/88/61/86/608886186.db2.gz MXLYVYYOQFPREC-SECBINFHSA-N -1 3 287.348 3.016 20 0 CGADHM Cc1cnc([C@@H](C)Sc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000826317763 608886189 /nfs/dbraw/zinc/88/61/89/608886189.db2.gz MXLYVYYOQFPREC-SECBINFHSA-N -1 3 287.348 3.016 20 0 CGADHM CCN(Cc1ccccc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000825439562 609165964 /nfs/dbraw/zinc/16/59/64/609165964.db2.gz FPZOBPXITLGQSI-UHFFFAOYSA-N -1 3 297.337 3.032 20 0 CGADHM CCN(Cc1ccccc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000825439562 609165966 /nfs/dbraw/zinc/16/59/66/609165966.db2.gz FPZOBPXITLGQSI-UHFFFAOYSA-N -1 3 297.337 3.032 20 0 CGADHM Cc1c(NCc2ccc(CF)cc2)cccc1-c1nnn[n-]1 ZINC000826242366 609267470 /nfs/dbraw/zinc/26/74/70/609267470.db2.gz LUYIJILWDASGCB-UHFFFAOYSA-N -1 3 297.337 3.257 20 0 CGADHM Cc1c(NCc2ccc(CF)cc2)cccc1-c1nn[n-]n1 ZINC000826242366 609267471 /nfs/dbraw/zinc/26/74/71/609267471.db2.gz LUYIJILWDASGCB-UHFFFAOYSA-N -1 3 297.337 3.257 20 0 CGADHM CSCC(C)(C)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000890873823 617886076 /nfs/dbraw/zinc/88/60/76/617886076.db2.gz ZSJHAOGFBGXNKO-UHFFFAOYSA-N -1 3 289.400 3.417 20 0 CGADHM Cc1cc(C)cc(NC=C2C(=O)[N-]C(=O)c3ccccc32)c1 ZINC000255083509 617916203 /nfs/dbraw/zinc/91/62/03/617916203.db2.gz KCPADRPFLPKYJD-YBEGLDIGSA-N -1 3 292.338 3.026 20 0 CGADHM CN(Cc1cc(Cl)cn1C)Cc1ccc([O-])c(F)c1 ZINC000892224602 618607760 /nfs/dbraw/zinc/60/77/60/618607760.db2.gz YEDRLRMKOYUVSJ-UHFFFAOYSA-N -1 3 282.746 3.155 20 0 CGADHM Cc1ccc(N(C)C(=O)c2cc(C)ccc2[O-])cc1 ZINC000050009636 618648860 /nfs/dbraw/zinc/64/88/60/618648860.db2.gz OGTPILVKKAUWGR-UHFFFAOYSA-N -1 3 255.317 3.286 20 0 CGADHM CS[C@@H]1CC[C@H](NC(=O)c2cc([O-])ccc2Cl)C1 ZINC000235137994 618690281 /nfs/dbraw/zinc/69/02/81/618690281.db2.gz MXFBRNHELSAGKV-WCBMZHEXSA-N -1 3 285.796 3.060 20 0 CGADHM [O-]c1ccc(CN2CCC[C@@H](C(F)(F)F)C2)cc1F ZINC000236581050 618874202 /nfs/dbraw/zinc/87/42/02/618874202.db2.gz HIILCMIDCIIFBP-SNVBAGLBSA-N -1 3 277.261 3.306 20 0 CGADHM CCc1nc([C@H](C)NCc2ccc([O-])c(F)c2)cs1 ZINC000892977496 618968486 /nfs/dbraw/zinc/96/84/86/618968486.db2.gz PATROPCNCUYAQQ-VIFPVBQESA-N -1 3 280.368 3.401 20 0 CGADHM O=C([N-]c1ncsc1C1CC1)c1scnc1Cl ZINC000893277900 619061858 /nfs/dbraw/zinc/06/18/58/619061858.db2.gz JYHZMUZFXZMEBE-UHFFFAOYSA-N -1 3 285.781 3.383 20 0 CGADHM CC(C)CCCOC(=O)c1cc(-c2ccco2)[n-]n1 ZINC000048764979 619591526 /nfs/dbraw/zinc/59/15/26/619591526.db2.gz KPQMDJTYYMNARC-UHFFFAOYSA-N -1 3 262.309 3.263 20 0 CGADHM CC(C)CCCOC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000048764979 619591532 /nfs/dbraw/zinc/59/15/32/619591532.db2.gz KPQMDJTYYMNARC-UHFFFAOYSA-N -1 3 262.309 3.263 20 0 CGADHM O=C1[N-]C(=O)/C(=C/c2coc3ccccc23)c2ccccc21 ZINC000160221538 619738732 /nfs/dbraw/zinc/73/87/32/619738732.db2.gz KONYNHGFWWYZFL-OQLLNIDSSA-N -1 3 289.290 3.243 20 0 CGADHM CCO[N-]C(=O)Cc1coc2c1ccc(Cl)c2C ZINC000895527123 619841766 /nfs/dbraw/zinc/84/17/66/619841766.db2.gz VDJFWSYMNXSYRX-UHFFFAOYSA-N -1 3 267.712 3.005 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])C1(C2CC2)CC1 ZINC000895849122 619896906 /nfs/dbraw/zinc/89/69/06/619896906.db2.gz VBBFJFADTUUHHE-UHFFFAOYSA-N -1 3 251.713 3.174 20 0 CGADHM Cc1cc(C)cc(COC(=O)c2ccc([O-])cc2)c1 ZINC000003508099 620189600 /nfs/dbraw/zinc/18/96/00/620189600.db2.gz WYNUECGXBVAGJM-UHFFFAOYSA-N -1 3 256.301 3.366 20 0 CGADHM CC(C)(C)CC(=O)[N-]OCCCOc1ccc(F)cc1 ZINC000842060086 620558922 /nfs/dbraw/zinc/55/89/22/620558922.db2.gz FSSNDODGLUBXNW-UHFFFAOYSA-N -1 3 283.343 3.079 20 0 CGADHM CC(C)(C)OC1CCN(Cc2cc(C(=O)[O-])cs2)CC1 ZINC000901426466 620883755 /nfs/dbraw/zinc/88/37/55/620883755.db2.gz IVQHAAIXWSXNMY-UHFFFAOYSA-N -1 3 297.420 3.226 20 0 CGADHM CC(C)c1ncc(CN2CCC[C@@H](CCC(=O)[O-])C2)s1 ZINC000901551947 620935996 /nfs/dbraw/zinc/93/59/96/620935996.db2.gz KSPBWGYFTQKSRM-LBPRGKRZSA-N -1 3 296.436 3.343 20 0 CGADHM CC(C)n1cc([N-]S(=O)(=O)CCC(C)(C)C2CC2)cn1 ZINC000901623219 620954453 /nfs/dbraw/zinc/95/44/53/620954453.db2.gz RXJBLNLLKMOIME-UHFFFAOYSA-N -1 3 299.440 3.032 20 0 CGADHM CC[C@@](C)(CC(=O)[O-])NCc1ncc(C(C)(C)C)s1 ZINC000901794466 621030684 /nfs/dbraw/zinc/03/06/84/621030684.db2.gz TYLPHSFHJLUKEP-AWEZNQCLSA-N -1 3 284.425 3.174 20 0 CGADHM C[C@@H](N[C@@H](C)CCC(F)(F)F)c1ncc(C(=O)[O-])s1 ZINC000901908026 621066277 /nfs/dbraw/zinc/06/62/77/621066277.db2.gz MVBRAMBWFDWWNA-NKWVEPMBSA-N -1 3 296.314 3.223 20 0 CGADHM O=C([O-])c1cc(CN2CCC[C@H](C3CCCCC3)C2)on1 ZINC000902125967 621163511 /nfs/dbraw/zinc/16/35/11/621163511.db2.gz QXIDJAADCMSYCS-ZDUSSCGKSA-N -1 3 292.379 3.165 20 0 CGADHM CC(C)(CNCc1ccc(/C=C/C(=O)[O-])o1)C(C)(F)F ZINC000902498976 621345044 /nfs/dbraw/zinc/34/50/44/621345044.db2.gz YLNPQIYFHSOXTC-VOTSOKGWSA-N -1 3 287.306 3.148 20 0 CGADHM CN(Cc1ccc(-c2ccc(C(=O)[O-])cc2)o1)C1CC1 ZINC000902509371 621349929 /nfs/dbraw/zinc/34/99/29/621349929.db2.gz CEQUJPBBLZVMCF-UHFFFAOYSA-N -1 3 271.316 3.239 20 0 CGADHM Cc1ccc(F)c(CN2[C@H](C)CC(C(=O)[O-])C[C@H]2C)c1F ZINC000903606534 621770544 /nfs/dbraw/zinc/77/05/44/621770544.db2.gz CDKMNZRFSCBWFR-GHMZBOCLSA-N -1 3 297.345 3.347 20 0 CGADHM COc1ccc([O-])c(-c2nc(CCCCSC)no2)c1 ZINC000903785332 621808141 /nfs/dbraw/zinc/80/81/41/621808141.db2.gz KWFXQKXFYRPZDU-UHFFFAOYSA-N -1 3 294.376 3.137 20 0 CGADHM CCC[C@@H](CNCc1nocc1C(=O)[O-])c1ccccc1 ZINC000904023509 621852768 /nfs/dbraw/zinc/85/27/68/621852768.db2.gz ILODPRUXRTWENN-ZDUSSCGKSA-N -1 3 288.347 3.046 20 0 CGADHM COc1ccccc1CN[C@H](CC(=O)[O-])c1cccc(C)c1 ZINC000904042351 621858819 /nfs/dbraw/zinc/85/88/19/621858819.db2.gz DBMVLLAZYDZDKH-MRXNPFEDSA-N -1 3 299.370 3.309 20 0 CGADHM CCO[C@H](c1noc(Cc2ccc([O-])c(F)c2)n1)C(C)C ZINC000904124381 621873910 /nfs/dbraw/zinc/87/39/10/621873910.db2.gz BFCJKWQYXYJDJD-AWEZNQCLSA-N -1 3 294.326 3.239 20 0 CGADHM [O-]c1ccc(Cc2nc(Cc3ccccc3)no2)cc1F ZINC000904318437 621905140 /nfs/dbraw/zinc/90/51/40/621905140.db2.gz UGHGXKMTBIBNGX-UHFFFAOYSA-N -1 3 284.290 3.096 20 0 CGADHM CCCCC[C@@H](C)NC(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000055184734 622815460 /nfs/dbraw/zinc/81/54/60/622815460.db2.gz TUGYLTJGOPSMES-LLVKDONJSA-N -1 3 292.379 3.049 20 0 CGADHM CCOCCC1(C(=O)[N-]OC[C@@H](C)CC)CCCC1 ZINC000816977107 625600792 /nfs/dbraw/zinc/60/07/92/625600792.db2.gz RCSMFMAIXFWBEB-ZDUSSCGKSA-N -1 3 271.401 3.067 20 0 CGADHM Cc1oc(C(=O)[O-])cc1CN[C@H](C)c1ccccc1 ZINC000232424448 623388026 /nfs/dbraw/zinc/38/80/26/623388026.db2.gz QOWYGKYLYWAMMP-SNVBAGLBSA-N -1 3 259.305 3.137 20 0 CGADHM Cc1ccc(CCCC(=O)[N-]OCc2cccnc2)s1 ZINC000152432578 623660215 /nfs/dbraw/zinc/66/02/15/623660215.db2.gz BREBBLVMLDXMJE-UHFFFAOYSA-N -1 3 290.388 3.022 20 0 CGADHM COc1ccc(OC(=O)c2cc(-c3ccc(C)o3)[n-]n2)cc1 ZINC000916853004 624220464 /nfs/dbraw/zinc/22/04/64/624220464.db2.gz HKKCKCHOWKPHGP-UHFFFAOYSA-N -1 3 298.298 3.206 20 0 CGADHM COc1ccc(OC(=O)c2cc(-c3ccc(C)o3)n[n-]2)cc1 ZINC000916853004 624220468 /nfs/dbraw/zinc/22/04/68/624220468.db2.gz HKKCKCHOWKPHGP-UHFFFAOYSA-N -1 3 298.298 3.206 20 0 CGADHM Cc1cc(-c2ccccc2)ccc1NC(=O)c1cnn[n-]1 ZINC000918321264 624345265 /nfs/dbraw/zinc/34/52/65/624345265.db2.gz FKEMXQBYPKGOHQ-UHFFFAOYSA-N -1 3 278.315 3.032 20 0 CGADHM Cc1cc(-c2ccccc2)ccc1NC(=O)c1c[n-]nn1 ZINC000918321264 624345269 /nfs/dbraw/zinc/34/52/69/624345269.db2.gz FKEMXQBYPKGOHQ-UHFFFAOYSA-N -1 3 278.315 3.032 20 0 CGADHM Cc1cc(-c2ccccc2)ccc1NC(=O)c1cn[n-]n1 ZINC000918321264 624345273 /nfs/dbraw/zinc/34/52/73/624345273.db2.gz FKEMXQBYPKGOHQ-UHFFFAOYSA-N -1 3 278.315 3.032 20 0 CGADHM COc1ccc([C@H](C)CC(=O)[N-]OCc2ccccc2)cc1 ZINC000175072158 624612091 /nfs/dbraw/zinc/61/20/91/624612091.db2.gz ODDAJMOIJGPRHO-CQSZACIVSA-N -1 3 299.370 3.437 20 0 CGADHM O=C(Cc1cccc(Cl)c1)[N-]OCc1ccccc1 ZINC000067901426 624658786 /nfs/dbraw/zinc/65/87/86/624658786.db2.gz VCQCZEBSIHGGMN-UHFFFAOYSA-N -1 3 275.735 3.131 20 0 CGADHM CCCCCCO[C@H](C)C(=O)Nc1cc(F)ccc1[O-] ZINC000839699404 626775889 /nfs/dbraw/zinc/77/58/89/626775889.db2.gz WZCRIRAOCBZWAD-LLVKDONJSA-N -1 3 283.343 3.455 20 0 CGADHM CC[C@H](C)N(OC)C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000758359087 626838894 /nfs/dbraw/zinc/83/88/94/626838894.db2.gz AWCNLXILBBQGIF-NSHDSACASA-N -1 3 277.364 3.073 20 0 CGADHM CCc1cc(=O)[n-]c(CN2CCC(CC(C)C)CC2)n1 ZINC000760928743 627003130 /nfs/dbraw/zinc/00/31/30/627003130.db2.gz ZOZSODUOKNLZOJ-UHFFFAOYSA-N -1 3 277.412 3.003 20 0 CGADHM Cc1cc(=O)[n-]c(CSCc2ccccc2F)n1 ZINC000763207902 627145460 /nfs/dbraw/zinc/14/54/60/627145460.db2.gz FCCIOGWWJYEMBT-UHFFFAOYSA-N -1 3 264.325 3.063 20 0 CGADHM Cc1cc(=O)[n-]c(CS[C@@H](C)c2ccccc2)n1 ZINC000763208220 627145571 /nfs/dbraw/zinc/14/55/71/627145571.db2.gz IHNZGMWFEPOPPK-NSHDSACASA-N -1 3 260.362 3.485 20 0 CGADHM O=C(Nc1cccc([O-])c1F)[C@H](F)c1ccccc1 ZINC000769609427 627569110 /nfs/dbraw/zinc/56/91/10/627569110.db2.gz LNZHSBHZTMIGHL-GFCCVEGCSA-N -1 3 263.243 3.181 20 0 CGADHM Cc1cc(Br)cc(C=Cc2nccc(=O)[n-]2)c1 ZINC000773140566 627861708 /nfs/dbraw/zinc/86/17/08/627861708.db2.gz TUVMQNPCRDXISV-NSCUHMNNSA-N -1 3 291.148 3.424 20 0 CGADHM CCc1noc(C)c1COC(=O)c1cccc(Cl)c1[O-] ZINC000775932833 628150501 /nfs/dbraw/zinc/15/05/01/628150501.db2.gz DNDCYIXUEAZXBY-UHFFFAOYSA-N -1 3 295.722 3.261 20 0 CGADHM O=C(OC[C@@H]1CC1(Cl)Cl)c1cccc(Cl)c1[O-] ZINC000775935214 628151234 /nfs/dbraw/zinc/15/12/34/628151234.db2.gz IZZFJJKJYQOKRL-LURJTMIESA-N -1 3 295.549 3.396 20 0 CGADHM C[C@H]1CCCC[C@H]1CC(=O)[N-]OCCC(F)(F)F ZINC000777975422 628317466 /nfs/dbraw/zinc/31/74/66/628317466.db2.gz NVXFGILJDUULIF-UWVGGRQHSA-N -1 3 267.291 3.203 20 0 CGADHM O=C(CCSCc1ccccn1)[N-]OC1CCCCC1 ZINC000779322730 628407972 /nfs/dbraw/zinc/40/79/72/628407972.db2.gz WULRWGRPQDUFLQ-UHFFFAOYSA-N -1 3 294.420 3.085 20 0 CGADHM O=C1[N-]C(=O)C(=Cc2ccccc2CC(F)(F)F)S1 ZINC000874929846 634655675 /nfs/dbraw/zinc/65/56/75/634655675.db2.gz ROWCHXNDIGUTCD-WEVVVXLNSA-N -1 3 287.262 3.115 20 0 CGADHM CCCCC[C@@H](CC)C(=O)Nc1cc(C(=O)OCC)n[n-]1 ZINC000781431120 628559492 /nfs/dbraw/zinc/55/94/92/628559492.db2.gz SIWRXQDUCMDYMR-LLVKDONJSA-N -1 3 295.383 3.131 20 0 CGADHM CCCCC[C@@H](CC)C(=O)Nc1cc(C(=O)OCC)[n-]n1 ZINC000781431120 628559494 /nfs/dbraw/zinc/55/94/94/628559494.db2.gz SIWRXQDUCMDYMR-LLVKDONJSA-N -1 3 295.383 3.131 20 0 CGADHM Cc1nnc([C@@H](C)OC(=O)c2cc3ccsc3[n-]2)s1 ZINC000782289162 628634200 /nfs/dbraw/zinc/63/42/00/628634200.db2.gz SZKIMTQFZTWUAN-ZCFIWIBFSA-N -1 3 293.373 3.307 20 0 CGADHM CSCCCOC(=O)CCCc1ccc([O-])c(F)c1 ZINC000787846332 629032673 /nfs/dbraw/zinc/03/26/73/629032673.db2.gz UVCVABIRAHBNQP-UHFFFAOYSA-N -1 3 286.368 3.150 20 0 CGADHM CC[C@@H](C)N(OC)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000788000135 629039260 /nfs/dbraw/zinc/03/92/60/629039260.db2.gz HQVZNZLYLDUMKM-LLVKDONJSA-N -1 3 283.343 3.043 20 0 CGADHM CCC1(CC)CCC([N-]C(=O)C(F)(F)F)CC1 ZINC000789876678 629171710 /nfs/dbraw/zinc/17/17/10/629171710.db2.gz HJVWUESWAVABCY-UHFFFAOYSA-N -1 3 251.292 3.414 20 0 CGADHM O=C([O-])C[C@H](NCc1ccc(Cl)nc1)c1cccs1 ZINC000789897908 629173091 /nfs/dbraw/zinc/17/30/91/629173091.db2.gz PKLLAVZVRADYSX-JTQLQIEISA-N -1 3 296.779 3.102 20 0 CGADHM C[C@H]1CCN(C(=O)c2cc3sccc3c([O-])c2)C1 ZINC000791381362 629271379 /nfs/dbraw/zinc/27/13/79/629271379.db2.gz URLGADFTUUSWMP-VIFPVBQESA-N -1 3 261.346 3.089 20 0 CGADHM CCCCCC[C@H](CC)C(=O)NCc1ncccc1[O-] ZINC000792615867 629371228 /nfs/dbraw/zinc/37/12/28/629371228.db2.gz VEPJXRXSWHOBSC-ZDUSSCGKSA-N -1 3 278.396 3.400 20 0 CGADHM CCCCC[C@H](CC)C(=O)NCc1ncccc1[O-] ZINC000792619563 629371751 /nfs/dbraw/zinc/37/17/51/629371751.db2.gz LBYNVVBSNNJGGA-LBPRGKRZSA-N -1 3 264.369 3.010 20 0 CGADHM O=C(NCc1ccc([O-])c(F)c1)[C@H](F)CC1CCCCC1 ZINC000793689909 629496180 /nfs/dbraw/zinc/49/61/80/629496180.db2.gz PZWHLUPZXDVTLD-CQSZACIVSA-N -1 3 297.345 3.456 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)C[C@@H](C)C(=O)c1cccc(F)c1 ZINC000794868828 629592344 /nfs/dbraw/zinc/59/23/44/629592344.db2.gz FROYEBRPWWTEKL-NWDGAFQWSA-N -1 3 295.354 3.129 20 0 CGADHM COc1ccccc1CO[N-]C(=O)C[C@@H]1CC[C@H](C)C1 ZINC000799095761 630142153 /nfs/dbraw/zinc/14/21/53/630142153.db2.gz SOYQZTUMIBPOGF-QWHCGFSZSA-N -1 3 277.364 3.069 20 0 CGADHM COc1ccc([O-])c(C(=O)N2CCc3cc(C)c(C)cc32)c1 ZINC000804320308 630519820 /nfs/dbraw/zinc/51/98/20/630519820.db2.gz KYFOFDBMNABTAZ-UHFFFAOYSA-N -1 3 297.354 3.221 20 0 CGADHM O=C(Nc1nccc2ccncc21)c1cc([O-])ccc1Cl ZINC000811419617 631064398 /nfs/dbraw/zinc/06/43/98/631064398.db2.gz IAIGMGKYRPOGFV-UHFFFAOYSA-N -1 3 299.717 3.241 20 0 CGADHM CC1(C)CCC[C@@H](CC(=O)[N-]OC/C=C\Cl)C1 ZINC000812408408 631248563 /nfs/dbraw/zinc/24/85/63/631248563.db2.gz SNRBGPDSFHTLDG-IBHLPDHGSA-N -1 3 259.777 3.393 20 0 CGADHM CC[C@@H](CC(=O)[N-]OC1CCC1)c1ccc(OC)cc1 ZINC000812788875 631308959 /nfs/dbraw/zinc/30/89/59/631308959.db2.gz DNUVIEICLMIUKC-LBPRGKRZSA-N -1 3 277.364 3.179 20 0 CGADHM CCc1ccc([C@H](C)CC(=O)[N-]OC2CCC2)cc1 ZINC000812795730 631313609 /nfs/dbraw/zinc/31/36/09/631313609.db2.gz AWPBELGCCHBIPS-GFCCVEGCSA-N -1 3 261.365 3.343 20 0 CGADHM CCO[N-]C(=O)C1(Cc2cccc(OC)c2)CCCCC1 ZINC000813398210 631421094 /nfs/dbraw/zinc/42/10/94/631421094.db2.gz ORZQPLYXXOCTKO-UHFFFAOYSA-N -1 3 291.391 3.256 20 0 CGADHM C[C@H](O)c1cc(NCc2c(F)ccc([O-])c2F)ccc1F ZINC000816609599 632023281 /nfs/dbraw/zinc/02/32/81/632023281.db2.gz HBNWRKPPRYYMAW-QMMMGPOBSA-N -1 3 297.276 3.475 20 0 CGADHM O=C(N[C@H]1CCCSC1)c1cc2sccc2c([O-])c1 ZINC000816821528 632055085 /nfs/dbraw/zinc/05/50/85/632055085.db2.gz DLXFREFNGWHRKR-JTQLQIEISA-N -1 3 293.413 3.232 20 0 CGADHM O=C(Cc1c[nH]c2ccc(Cl)cc12)[N-]OCCC1CC1 ZINC000817399017 632137669 /nfs/dbraw/zinc/13/76/69/632137669.db2.gz BMZAYBCYTVNOGC-UHFFFAOYSA-N -1 3 292.766 3.212 20 0 CGADHM C[C@H](CC(=O)[N-]OCCC1CC1)C1CCCCC1 ZINC000817403499 632138405 /nfs/dbraw/zinc/13/84/05/632138405.db2.gz IHBQXKPKQBCTBD-GFCCVEGCSA-N -1 3 253.386 3.441 20 0 CGADHM Cc1ccc([C@@H](C)N(C)C(=O)c2ccc(N)cc2[O-])c(C)c1 ZINC000817913761 632234200 /nfs/dbraw/zinc/23/42/00/632234200.db2.gz ROKUUPLTUGCAKD-CYBMUJFWSA-N -1 3 298.386 3.424 20 0 CGADHM CC(C)C[C@H]1CCCCN1C(=O)c1ccc(N)cc1[O-] ZINC000817951309 632247288 /nfs/dbraw/zinc/24/72/88/632247288.db2.gz DALQNPNMEICGMW-CYBMUJFWSA-N -1 3 276.380 3.015 20 0 CGADHM CCN(C(=O)c1ccc(N)cc1[O-])[C@@H]1CCCC[C@@H]1C ZINC000817997063 632275752 /nfs/dbraw/zinc/27/57/52/632275752.db2.gz RAOVPXJNNOTKLS-SMDDNHRTSA-N -1 3 276.380 3.015 20 0 CGADHM CCC(F)(F)C(=O)[N-]Cc1ccccc1C(F)(F)F ZINC000821021870 632713430 /nfs/dbraw/zinc/71/34/30/632713430.db2.gz DFLZRJMUIDLTQO-UHFFFAOYSA-N -1 3 281.224 3.367 20 0 CGADHM O=C([N-]OCc1ccccn1)C1(CCc2ccccc2)CC1 ZINC000822244342 632889750 /nfs/dbraw/zinc/88/97/50/632889750.db2.gz YITYVUXEMPIFDY-UHFFFAOYSA-N -1 3 296.370 3.042 20 0 CGADHM Cc1sc([N-]C(=O)c2cc(Cl)no2)nc1C(C)C ZINC000824381165 633238755 /nfs/dbraw/zinc/23/87/55/633238755.db2.gz WYUIWLXKDDCXBA-UHFFFAOYSA-N -1 3 285.756 3.469 20 0 CGADHM O=C(NC[C@@H]1C[C@H]1C1CC1)c1cc2sccc2c([O-])c1 ZINC000837113150 634859316 /nfs/dbraw/zinc/85/93/16/634859316.db2.gz ZFGVKUWAYFGBAL-AAEUAGOBSA-N -1 3 287.384 3.383 20 0 CGADHM CC(C)CO[N-]C(=O)C1(Cc2cccc(Cl)c2)CC1 ZINC000827558125 633497919 /nfs/dbraw/zinc/49/79/19/633497919.db2.gz VMGDBMZQSMNLEG-UHFFFAOYSA-N -1 3 281.783 3.367 20 0 CGADHM CCOc1cccc(F)c1CN[C@@H](C)CCCCC(=O)[O-] ZINC000871877199 633907389 /nfs/dbraw/zinc/90/73/89/633907389.db2.gz ATYWFPVKNMFOJT-LBPRGKRZSA-N -1 3 297.370 3.348 20 0 CGADHM COc1cc(C)ccc1CN[C@@H](C(=O)[O-])c1ccccc1C ZINC000871883473 633910763 /nfs/dbraw/zinc/91/07/63/633910763.db2.gz OGVIFDXOWRXAHI-QGZVFWFLSA-N -1 3 299.370 3.228 20 0 CGADHM CCC(F)(F)C(=O)[N-][C@H](C)c1cccc(F)c1F ZINC000831515787 633969907 /nfs/dbraw/zinc/96/99/07/633969907.db2.gz XROYZMQMYJFWGY-SSDOTTSWSA-N -1 3 263.234 3.187 20 0 CGADHM CCn1ccnc1[C@H](C)N[C@@H](C)c1cccc([O-])c1F ZINC000872076250 633999228 /nfs/dbraw/zinc/99/92/28/633999228.db2.gz KGYRSZOHDLTTDT-QWRGUYRKSA-N -1 3 277.343 3.160 20 0 CGADHM C[C@@H](N[C@@H](C)c1cccc([O-])c1F)c1cscn1 ZINC000872084034 634008743 /nfs/dbraw/zinc/00/87/43/634008743.db2.gz CSZIRJQIOWIGMF-DTWKUNHWSA-N -1 3 266.341 3.400 20 0 CGADHM O=C(CC[C@H]1CC1(Cl)Cl)[N-]OC1CCCCC1 ZINC000832552852 634071309 /nfs/dbraw/zinc/07/13/09/634071309.db2.gz IFNIZQMMJNOVDC-VIFPVBQESA-N -1 3 280.195 3.341 20 0 CGADHM O=C(CCC[C@H](O)c1ccccc1)[N-]OC1CCCCC1 ZINC000832553059 634071560 /nfs/dbraw/zinc/07/15/60/634071560.db2.gz LOYBZJJYRYABQE-INIZCTEOSA-N -1 3 291.391 3.271 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)C[C@]1(C)CC1(Cl)Cl ZINC000832738733 634089314 /nfs/dbraw/zinc/08/93/14/634089314.db2.gz KSZXAQXFEHTKED-WCBMZHEXSA-N -1 3 268.184 3.054 20 0 CGADHM CCCC(C)(C)CC(=O)OCc1cc(=O)[n-]c(C2CC2)n1 ZINC000837690294 634966323 /nfs/dbraw/zinc/96/63/23/634966323.db2.gz GYDFDWPYXDRAKX-UHFFFAOYSA-N -1 3 292.379 3.319 20 0 CGADHM Nc1ccc(C(=O)N2CCC[C@@H](C3CCC3)CC2)c([O-])c1 ZINC000877221109 635014113 /nfs/dbraw/zinc/01/41/13/635014113.db2.gz NNIMOSNZRRGQNU-CYBMUJFWSA-N -1 3 288.391 3.017 20 0 CGADHM COC1(CCO[N-]C(=O)CCC2CCCCC2)CCC1 ZINC000842027604 635258705 /nfs/dbraw/zinc/25/87/05/635258705.db2.gz CJNGHAXUHAAOEJ-UHFFFAOYSA-N -1 3 283.412 3.354 20 0 CGADHM O=C(CCCc1ccccc1)[N-]OC[C@H]1CCC(F)(F)C1 ZINC000842027761 635259214 /nfs/dbraw/zinc/25/92/14/635259214.db2.gz KTBDRDNMVWHFBL-AWEZNQCLSA-N -1 3 297.345 3.493 20 0 CGADHM O=C([N-]c1nnc(C2CC2)s1)c1ncsc1C1CC1 ZINC000878065825 635342736 /nfs/dbraw/zinc/34/27/36/635342736.db2.gz WSQMMFYNYLOAKB-UHFFFAOYSA-N -1 3 292.389 3.002 20 0 CGADHM C[C@@H]1CC2(CN1Cc1c(F)ccc([O-])c1F)CCOCC2 ZINC000843430872 635672802 /nfs/dbraw/zinc/67/28/02/635672802.db2.gz HPNUDMXDPHCZSR-LLVKDONJSA-N -1 3 297.345 3.061 20 0 CGADHM Nc1ccc(C(=O)N[C@H](C2CCC2)C2CCCC2)c([O-])c1 ZINC000843508456 635682830 /nfs/dbraw/zinc/68/28/30/635682830.db2.gz SUWHBPNSDOCTGG-INIZCTEOSA-N -1 3 288.391 3.063 20 0 CGADHM CC(C)=CCC[C@@H](C)CC(=O)[N-]OCc1cccnc1 ZINC000843832150 635786780 /nfs/dbraw/zinc/78/67/80/635786780.db2.gz RNACOPADXAXHMB-CQSZACIVSA-N -1 3 276.380 3.402 20 0 CGADHM Cc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc([O-])cc2)cc1C ZINC000005694034 636148316 /nfs/dbraw/zinc/14/83/16/636148316.db2.gz QPJZJBQNHXNQOE-CYBMUJFWSA-N -1 3 298.338 3.437 20 0 CGADHM CCN(C(=O)c1cc([O-])c2ccccc2c1)[C@H]1CCCOC1 ZINC000846446823 636185841 /nfs/dbraw/zinc/18/58/41/636185841.db2.gz QZHWFSPMQASOBC-HNNXBMFYSA-N -1 3 299.370 3.187 20 0 CGADHM O=c1ccnc(C=Cc2cc(Cl)cc(Cl)c2)[n-]1 ZINC000131793933 636751028 /nfs/dbraw/zinc/75/10/28/636751028.db2.gz JPSMPMXOKRYJEX-OWOJBTEDSA-N -1 3 267.115 3.247 20 0 CGADHM O=C(O[C@@H]1CCc2ccccc21)c1ccc([O-])cc1 ZINC000849193015 636769391 /nfs/dbraw/zinc/76/93/91/636769391.db2.gz NLHWMAIEOIRHPI-OAHLLOKOSA-N -1 3 254.285 3.237 20 0 CGADHM Cc1ccc(OCCCC(=O)[N-]OC2CCCC2)cc1 ZINC000135143069 637091267 /nfs/dbraw/zinc/09/12/67/637091267.db2.gz RJUUZFOKGMQONJ-UHFFFAOYSA-N -1 3 277.364 3.144 20 0 CGADHM O=C([N-]OC1CCCC1)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000135723226 637160833 /nfs/dbraw/zinc/16/08/33/637160833.db2.gz RIICSUNQKIKETR-GHMZBOCLSA-N -1 3 279.302 3.346 20 0 CGADHM CCOc1ccc(NCc2c(F)ccc([O-])c2F)nc1C ZINC000853029952 637738370 /nfs/dbraw/zinc/73/83/70/637738370.db2.gz PKGBJCQALDCMID-UHFFFAOYSA-N -1 3 294.301 3.385 20 0 CGADHM O=C(CCC1CCCCC1)[N-]OCc1cncs1 ZINC000853665422 637887068 /nfs/dbraw/zinc/88/70/68/637887068.db2.gz LBDDEEJNNUGKKW-UHFFFAOYSA-N -1 3 268.382 3.051 20 0 CGADHM CCC(F)(F)C(=O)[N-][C@@H](C)c1ccc(F)c(F)c1 ZINC000854247605 638031708 /nfs/dbraw/zinc/03/17/08/638031708.db2.gz YEUZYVHHHLKRAC-ZETCQYMHSA-N -1 3 263.234 3.187 20 0 CGADHM CC(C)(CC(F)(F)F)C(=O)[N-]OCc1ccccc1 ZINC000854290484 638038281 /nfs/dbraw/zinc/03/82/81/638038281.db2.gz STVKZTRVGKQCEY-UHFFFAOYSA-N -1 3 275.270 3.213 20 0 CGADHM O=C(Cc1ccc(Cl)c(Cl)c1)[N-]OCC1CCC1 ZINC000856342949 638345049 /nfs/dbraw/zinc/34/50/49/638345049.db2.gz SATVVSKJUATVCY-UHFFFAOYSA-N -1 3 288.174 3.384 20 0 CGADHM Cc1ccccc1OCCCC(=O)[N-]OCC1CCC1 ZINC000856344977 638345917 /nfs/dbraw/zinc/34/59/17/638345917.db2.gz DSDMFUZREIFYCW-UHFFFAOYSA-N -1 3 277.364 3.002 20 0 CGADHM Cc1cc2c(cc1C)N(c1cc(Cl)nc(=O)[n-]1)CC2 ZINC000858543081 638757535 /nfs/dbraw/zinc/75/75/35/638757535.db2.gz PVFVEWBJVSDMDM-UHFFFAOYSA-N -1 3 275.739 3.147 20 0 CGADHM C[C@H](N[C@@H](C)C(F)(F)F)c1cc([O-])cc(F)c1 ZINC000926436561 638771456 /nfs/dbraw/zinc/77/14/56/638771456.db2.gz VKYRVZLDZDBDMY-BQBZGAKWSA-N -1 3 251.223 3.133 20 0 CGADHM O=C(Cc1ccc(F)c(Cl)c1)[N-]OCCC(F)(F)F ZINC000860993327 639482955 /nfs/dbraw/zinc/48/29/55/639482955.db2.gz AWPVUHVJUULTHB-UHFFFAOYSA-N -1 3 299.651 3.022 20 0 CGADHM CC(C)COCCOC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000191459688 640312781 /nfs/dbraw/zinc/31/27/81/640312781.db2.gz DIRFUSZKWJFGEM-UHFFFAOYSA-N -1 3 280.151 3.151 20 0 CGADHM C[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@H]2C(=O)Nc2ncccc2[O-])o1 ZINC000956384195 640714658 /nfs/dbraw/zinc/71/46/58/640714658.db2.gz RQMJAMFQYHZPJV-NOOOWODRSA-N -1 3 298.342 3.246 20 0 CGADHM Cc1cc(Cc2ccc([O-])c(C(F)(F)F)c2)n(C)n1 ZINC001250418173 805602770 /nfs/dbraw/zinc/60/27/70/805602770.db2.gz PEQMVNOPOZTZKR-UHFFFAOYSA-N -1 3 270.254 3.044 20 0 CGADHM Cc1ccc(C(=O)Nc2nc3ccc(C)nc3s2)c([O-])c1 ZINC001156015113 805640234 /nfs/dbraw/zinc/64/02/34/805640234.db2.gz YIUFHRHRLRAXJG-UHFFFAOYSA-N -1 3 299.355 3.266 20 0 CGADHM [O-]c1cc(Cl)c(NC[C@H](O)C(F)(F)F)cc1Cl ZINC001250981512 805816333 /nfs/dbraw/zinc/81/63/33/805816333.db2.gz SFULCEFNJJZSFK-QMMMGPOBSA-N -1 3 290.068 3.034 20 0 CGADHM Cc1ccc(-c2ccc(NCc3ncccc3[O-])nn2)cc1 ZINC001158774627 806002011 /nfs/dbraw/zinc/00/20/11/806002011.db2.gz RCAYTYFDQHMYNW-UHFFFAOYSA-N -1 3 292.342 3.165 20 0 CGADHM Cc1cccc(-c2ccc(NCc3ncccc3[O-])nn2)c1 ZINC001158774435 806002310 /nfs/dbraw/zinc/00/23/10/806002310.db2.gz ODKAWPWMAJEIDN-UHFFFAOYSA-N -1 3 292.342 3.165 20 0 CGADHM CC(C)c1nnc(C(=O)[N-]c2nc(C(C)(C)C)co2)s1 ZINC001159189125 806056780 /nfs/dbraw/zinc/05/67/80/806056780.db2.gz BOYZZGVAUIDXJI-UHFFFAOYSA-N -1 3 294.380 3.199 20 0 CGADHM CCC(CC)Oc1ccccc1[N-]S(=O)(=O)C(C)C ZINC001252535756 806058249 /nfs/dbraw/zinc/05/82/49/806058249.db2.gz PRMAYSFOVNWAIG-UHFFFAOYSA-N -1 3 285.409 3.404 20 0 CGADHM [O-]c1cncc(-c2nnc(-c3ccc(Cl)cc3)o2)c1 ZINC001252764114 806108412 /nfs/dbraw/zinc/10/84/12/806108412.db2.gz LMXWTPUOISUKAN-UHFFFAOYSA-N -1 3 273.679 3.158 20 0 CGADHM [O-]c1cccc(NC[C@H](O)c2ccc(F)c(F)c2)c1Cl ZINC001253366256 806209890 /nfs/dbraw/zinc/20/98/90/806209890.db2.gz OKACIUWSEVNAOM-ZDUSSCGKSA-N -1 3 299.704 3.469 20 0 CGADHM Cc1ccc(-c2nnc(Cc3ccccc3)o2)c([O-])c1 ZINC001253489358 806227508 /nfs/dbraw/zinc/22/75/08/806227508.db2.gz RLHAREQKOZKGBC-UHFFFAOYSA-N -1 3 266.300 3.341 20 0 CGADHM [O-]c1cccc(O)c1-c1nnc(-c2cccc(Cl)c2)o1 ZINC001253735594 806290667 /nfs/dbraw/zinc/29/06/67/806290667.db2.gz QERPNLRCCKQQNH-UHFFFAOYSA-N -1 3 288.690 3.468 20 0 CGADHM CC(C)(C)CNc1cc(C(F)(F)F)[n-]c(=S)n1 ZINC001161634575 806406185 /nfs/dbraw/zinc/40/61/85/806406185.db2.gz GSMGKPKMFBHQSY-UHFFFAOYSA-N -1 3 265.304 3.242 20 0 CGADHM FC(F)(N[C@H]1CC=CCC1)c1cc(Cl)nc(=S)[n-]1 ZINC001161754565 806444476 /nfs/dbraw/zinc/44/44/76/806444476.db2.gz PUMHSMVWLLDNIM-ZETCQYMHSA-N -1 3 291.754 3.166 20 0 CGADHM Nc1c(F)cccc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000082699524 798937041 /nfs/dbraw/zinc/93/70/41/798937041.db2.gz XRCPCWYFOZIIHF-UHFFFAOYSA-N -1 3 280.686 3.019 20 0 CGADHM Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C(C)C ZINC000108459761 798982652 /nfs/dbraw/zinc/98/26/52/798982652.db2.gz PLGQEPUFMJWZKK-GFCCVEGCSA-N -1 3 250.729 3.335 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCC(C)(C)C[C@H]2C)o1 ZINC000358596093 799337064 /nfs/dbraw/zinc/33/70/64/799337064.db2.gz SSIURCPFXHEMSB-PWSUYJOCSA-N -1 3 285.409 3.081 20 0 CGADHM C[C@H](CCC1CC1)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC000398133057 799526446 /nfs/dbraw/zinc/52/64/46/799526446.db2.gz WQINEONVFCIQEZ-RKDXNWHRSA-N -1 3 268.382 3.071 20 0 CGADHM CCCC[C@H](CCC)NC(=O)c1c([O-])cccc1OC ZINC000405283002 799582381 /nfs/dbraw/zinc/58/23/81/799582381.db2.gz WMCJQTXTPZUXQP-LBPRGKRZSA-N -1 3 279.380 3.490 20 0 CGADHM Cc1cccc([O-])c1C(=O)Nc1ccccc1N(C)C ZINC000706618843 799964749 /nfs/dbraw/zinc/96/47/49/799964749.db2.gz JMGRVOUIUBVDEL-UHFFFAOYSA-N -1 3 270.332 3.019 20 0 CGADHM Cc1cccc([O-])c1C(=O)NC1CCC(C)(C)CC1 ZINC000706674457 799964955 /nfs/dbraw/zinc/96/49/55/799964955.db2.gz ZWYKEEMNLQTWEV-UHFFFAOYSA-N -1 3 261.365 3.399 20 0 CGADHM COc1cccc(C(=O)Nc2ccc(C)c(C(C)=O)c2)c1[O-] ZINC001163614653 806793472 /nfs/dbraw/zinc/79/34/72/806793472.db2.gz RHHWCMJBERRJJR-UHFFFAOYSA-N -1 3 299.326 3.164 20 0 CGADHM C[C@H]1c2sccc2CCN1C(=O)c1ccccc1[O-] ZINC000712275998 800082234 /nfs/dbraw/zinc/08/22/34/800082234.db2.gz GNXHBZSMXAVPRO-JTQLQIEISA-N -1 3 273.357 3.213 20 0 CGADHM O=C(c1cc([O-])ccc1Cl)N(Cc1ccoc1)C1CC1 ZINC000723736823 800338901 /nfs/dbraw/zinc/33/89/01/800338901.db2.gz RIMUTLSJFNMACI-UHFFFAOYSA-N -1 3 291.734 3.443 20 0 CGADHM O=C(c1cc([O-])ccc1Cl)N1CCC(F)(C2CC2)CC1 ZINC000724831436 800367042 /nfs/dbraw/zinc/36/70/42/800367042.db2.gz IOJZGDQXEVFEFP-UHFFFAOYSA-N -1 3 297.757 3.400 20 0 CGADHM Nc1ccccc1CNc1[n-]c(=O)c(Cl)cc1Cl ZINC001163880593 806845715 /nfs/dbraw/zinc/84/57/15/806845715.db2.gz BCIJUUKWUJSROP-UHFFFAOYSA-N -1 3 284.146 3.288 20 0 CGADHM CC(C)Cc1nnc(-c2cc3cccc(O)c3cc2[O-])o1 ZINC001256413299 806889669 /nfs/dbraw/zinc/88/96/69/806889669.db2.gz XRXZUKCXRLTSAM-UHFFFAOYSA-N -1 3 284.315 3.500 20 0 CGADHM CC(C)(CC1CC1)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC001256555113 806914146 /nfs/dbraw/zinc/91/41/46/806914146.db2.gz ISVIEOUUMOWGOY-UHFFFAOYSA-N -1 3 293.841 3.259 20 0 CGADHM C[C@@H]1C[C@H]1c1nnc(-c2c([O-])cc3ccccc3c2O)o1 ZINC001256632434 806933191 /nfs/dbraw/zinc/93/31/91/806933191.db2.gz FZQMVXDNDMVTSW-LDYMZIIASA-N -1 3 282.299 3.424 20 0 CGADHM COc1ccc2ncc([O-])c(-c3nnc([C@@H]4C[C@H]4C)o3)c2c1 ZINC001256645664 806938708 /nfs/dbraw/zinc/93/87/08/806938708.db2.gz JNSMMHKESWKQQE-PSASIEDQSA-N -1 3 297.314 3.122 20 0 CGADHM C[C@@H]1C[C@H]1c1nnc(-c2cc([O-])cc(Cl)c2)o1 ZINC001256749332 806971285 /nfs/dbraw/zinc/97/12/85/806971285.db2.gz TXCYLFIENMSTCJ-LHLIQPBNSA-N -1 3 250.685 3.219 20 0 CGADHM Cc1cccc(S(=O)(=O)[N-]c2ccnc(C3CC3)c2)c1 ZINC001256878812 806998989 /nfs/dbraw/zinc/99/89/89/806998989.db2.gz KPXSFSGNOBWBOK-UHFFFAOYSA-N -1 3 288.372 3.068 20 0 CGADHM COC(=O)c1ncc(F)cc1-c1c([O-])cccc1Cl ZINC001244047488 803159275 /nfs/dbraw/zinc/15/92/75/803159275.db2.gz HYIIDHBRCMZZEJ-UHFFFAOYSA-N -1 3 281.670 3.033 20 0 CGADHM CCOC(=O)c1ccncc1-c1c([O-])cccc1Cl ZINC001244049391 803160638 /nfs/dbraw/zinc/16/06/38/803160638.db2.gz ZQDSNKAAWJJQRM-UHFFFAOYSA-N -1 3 277.707 3.284 20 0 CGADHM COc1cc(C(=O)[O-])cc(-c2cc3[nH]ccc3c(C)n2)c1 ZINC001244176669 803227090 /nfs/dbraw/zinc/22/70/90/803227090.db2.gz VUWHNKZMFRROTE-UHFFFAOYSA-N -1 3 282.299 3.245 20 0 CGADHM CC(C)c1cc(-c2ccc(Cc3nnn[n-]3)cc2)ccc1N ZINC001244340948 803315161 /nfs/dbraw/zinc/31/51/61/803315161.db2.gz FXRIKUHNCDBIJI-UHFFFAOYSA-N -1 3 293.374 3.163 20 0 CGADHM CC(C)c1cc(-c2ccc(Cc3nn[n-]n3)cc2)ccc1N ZINC001244340948 803315166 /nfs/dbraw/zinc/31/51/66/803315166.db2.gz FXRIKUHNCDBIJI-UHFFFAOYSA-N -1 3 293.374 3.163 20 0 CGADHM COCOc1cccc(Cl)c1-c1ccc(=S)[n-]n1 ZINC001244434520 803363627 /nfs/dbraw/zinc/36/36/27/803363627.db2.gz PTDHYLVCXFALQM-UHFFFAOYSA-N -1 3 282.752 3.068 20 0 CGADHM O=S1(=O)Cc2ccc(-c3ccc(Cl)cc3[O-])cc2C1 ZINC001244473080 803388328 /nfs/dbraw/zinc/38/83/28/803388328.db2.gz QXJLLRYKFDWDLT-UHFFFAOYSA-N -1 3 294.759 3.141 20 0 CGADHM CCOC(=O)c1cc(C)nc(-c2cc(C)c(F)c([O-])c2)c1 ZINC001244505686 803410361 /nfs/dbraw/zinc/41/03/61/803410361.db2.gz IEFVXNRSEYXEPG-UHFFFAOYSA-N -1 3 289.306 3.387 20 0 CGADHM Cc1cc(-c2ccc3ccncc3n2)cc([O-])c1F ZINC001244506877 803411083 /nfs/dbraw/zinc/41/10/83/803411083.db2.gz QBJNUPSCIXDTNZ-UHFFFAOYSA-N -1 3 254.264 3.450 20 0 CGADHM COC(=O)c1ccc(-c2cc(C)c(F)c([O-])c2)c(F)c1 ZINC001244517903 803414023 /nfs/dbraw/zinc/41/40/23/803414023.db2.gz ONKQAWOHGGPUBK-UHFFFAOYSA-N -1 3 278.254 3.432 20 0 CGADHM Cc1cc(-c2cnc(N3CCCCC3)nc2)cc([O-])c1F ZINC001244515779 803414165 /nfs/dbraw/zinc/41/41/65/803414165.db2.gz NIEBOSYCJUTIEU-UHFFFAOYSA-N -1 3 287.338 3.287 20 0 CGADHM Cc1cc(-c2cccc([C@@H]3CNC(=O)C3)c2)cc([O-])c1F ZINC001244515765 803414396 /nfs/dbraw/zinc/41/43/96/803414396.db2.gz NDHHXNZAPRNJQV-AWEZNQCLSA-N -1 3 285.318 3.110 20 0 CGADHM Cc1cc(-c2cccc3c2C(C)(C)C(=O)NC3)cc([O-])c1F ZINC001244525360 803418946 /nfs/dbraw/zinc/41/89/46/803418946.db2.gz LZEORTDRXHWWRD-UHFFFAOYSA-N -1 3 299.345 3.414 20 0 CGADHM Cc1cc(-c2cnc(OCC(C)C)cn2)cc([O-])c1F ZINC001244526341 803419672 /nfs/dbraw/zinc/41/96/72/803419672.db2.gz XYMGJQQUIBQBAE-UHFFFAOYSA-N -1 3 276.311 3.332 20 0 CGADHM Cc1cc(-c2cnc3nccn3c2)cc(Cl)c1[O-] ZINC001244538082 803424844 /nfs/dbraw/zinc/42/48/44/803424844.db2.gz QYOBQMJLLAYMGA-UHFFFAOYSA-N -1 3 259.696 3.064 20 0 CGADHM Cc1cc(-c2cncc(C(=O)N(C)C)c2)cc(Cl)c1[O-] ZINC001244548210 803433147 /nfs/dbraw/zinc/43/31/47/803433147.db2.gz XSYFCBQZPDRNRR-UHFFFAOYSA-N -1 3 290.750 3.118 20 0 CGADHM CCCNC(=S)Nc1c([O-])cccc1C(F)(F)F ZINC001244891293 803564876 /nfs/dbraw/zinc/56/48/76/803564876.db2.gz FPEVUNHNMAHWIP-UHFFFAOYSA-N -1 3 278.299 3.107 20 0 CGADHM [O-]c1ccc(Cl)cc1-c1cnc2nccnc2c1 ZINC001245050442 803622462 /nfs/dbraw/zinc/62/24/62/803622462.db2.gz GGUJBPOMVJDAGL-UHFFFAOYSA-N -1 3 257.680 3.051 20 0 CGADHM [O-]c1ccc(Cl)cc1-c1cncc2cc(CO)oc21 ZINC001245050812 803623130 /nfs/dbraw/zinc/62/31/30/803623130.db2.gz LTPJYWFDYBIGSG-UHFFFAOYSA-N -1 3 275.691 3.346 20 0 CGADHM [O-]c1ccc(-c2cc3cncnc3cn2)c(Cl)c1 ZINC001245080047 803635357 /nfs/dbraw/zinc/63/53/57/803635357.db2.gz XDEKOELHBADTNM-UHFFFAOYSA-N -1 3 257.680 3.051 20 0 CGADHM CC(C)n1cnc2cnc(-c3ccc([O-])cc3Cl)nc21 ZINC001245080162 803635423 /nfs/dbraw/zinc/63/54/23/803635423.db2.gz UJEIZOHXZTXFRE-UHFFFAOYSA-N -1 3 288.738 3.433 20 0 CGADHM [O-]c1ccc(-c2cnc3cccnc3n2)c(Cl)c1 ZINC001245081887 803636341 /nfs/dbraw/zinc/63/63/41/803636341.db2.gz NYJYXWIROMRFED-UHFFFAOYSA-N -1 3 257.680 3.051 20 0 CGADHM [S-]c1cccc(C2=CC[C@@H](N3CCOCC3)CC2)c1 ZINC001245422560 803732932 /nfs/dbraw/zinc/73/29/32/803732932.db2.gz DEIYXJMMCHRPKK-OAHLLOKOSA-N -1 3 275.417 3.243 20 0 CGADHM Cc1cc(F)c(-c2ccc(Cc3nnn[n-]3)cc2)cc1F ZINC001245544349 803802126 /nfs/dbraw/zinc/80/21/26/803802126.db2.gz BPWCSWAMFOBXDW-UHFFFAOYSA-N -1 3 286.285 3.044 20 0 CGADHM Cc1cc(F)c(-c2ccc(Cc3nn[n-]n3)cc2)cc1F ZINC001245544349 803802134 /nfs/dbraw/zinc/80/21/34/803802134.db2.gz BPWCSWAMFOBXDW-UHFFFAOYSA-N -1 3 286.285 3.044 20 0 CGADHM [O-]c1ccc(Nc2cccc(F)c2CO)c(F)c1F ZINC001212010888 814966970 /nfs/dbraw/zinc/96/69/70/814966970.db2.gz FIDYHOPRXBFMHD-UHFFFAOYSA-N -1 3 269.222 3.045 20 0 CGADHM Cc1cccc(CO)c1Nc1ccc([O-])c(F)c1F ZINC001212016201 814967705 /nfs/dbraw/zinc/96/77/05/814967705.db2.gz CZUUGJDMFXRYKG-UHFFFAOYSA-N -1 3 265.259 3.215 20 0 CGADHM Cc1ccc2[nH]c(-c3cccc(-c4nnn[n-]4)c3)cc2c1 ZINC001245572846 803824165 /nfs/dbraw/zinc/82/41/65/803824165.db2.gz YJDVDRLTJDHRKK-UHFFFAOYSA-N -1 3 275.315 3.323 20 0 CGADHM Cc1ccc2[nH]c(-c3cccc(-c4nn[n-]n4)c3)cc2c1 ZINC001245572846 803824173 /nfs/dbraw/zinc/82/41/73/803824173.db2.gz YJDVDRLTJDHRKK-UHFFFAOYSA-N -1 3 275.315 3.323 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])c1c[nH]c2cc(=O)ccc-2c1 ZINC001138016910 803828446 /nfs/dbraw/zinc/82/84/46/803828446.db2.gz XYAMOIYBCCBNAE-UHFFFAOYSA-N -1 3 298.273 3.037 20 0 CGADHM CN1Cc2ccc(-c3ccc4c(c3)[N-]C(=S)C4)cc2C1=O ZINC001245650522 803880454 /nfs/dbraw/zinc/88/04/54/803880454.db2.gz FCXFFTSEKOZILN-UHFFFAOYSA-N -1 3 294.379 3.235 20 0 CGADHM [O-]c1cccc(F)c1-c1ccc(C2OCCO2)cc1 ZINC001245653380 803884494 /nfs/dbraw/zinc/88/44/94/803884494.db2.gz MERHFIREWWGGMX-UHFFFAOYSA-N -1 3 260.264 3.244 20 0 CGADHM COC(=O)c1c(C)cccc1-c1c([O-])cccc1F ZINC001245654053 803886295 /nfs/dbraw/zinc/88/62/95/803886295.db2.gz KIJUSEFLDCYMJN-UHFFFAOYSA-N -1 3 260.264 3.293 20 0 CGADHM [O-]c1cccc(F)c1-c1cc(C2OCCO2)ccc1F ZINC001245655202 803887704 /nfs/dbraw/zinc/88/77/04/803887704.db2.gz AZGUNLRNKGLHIM-UHFFFAOYSA-N -1 3 278.254 3.383 20 0 CGADHM [O-]c1cccc(F)c1-c1ccc2c(c1)OCCCO2 ZINC001245655087 803888055 /nfs/dbraw/zinc/88/80/55/803888055.db2.gz JLXUCEUCXVPSOL-UHFFFAOYSA-N -1 3 260.264 3.360 20 0 CGADHM COc1ccc(-c2c([O-])cccc2F)c(OC)c1OC ZINC001245656053 803888354 /nfs/dbraw/zinc/88/83/54/803888354.db2.gz UQSYNZWCOLARTB-UHFFFAOYSA-N -1 3 278.279 3.224 20 0 CGADHM COC(=O)/C=C\c1ccc(-c2c([O-])cccc2F)cc1 ZINC001245657305 803892061 /nfs/dbraw/zinc/89/20/61/803892061.db2.gz JVLSCHBDXCQGID-YFHOEESVSA-N -1 3 272.275 3.385 20 0 CGADHM [O-]c1cc(F)cnc1Nc1cc(Cl)nc(Cl)c1 ZINC001212092414 814975479 /nfs/dbraw/zinc/97/54/79/814975479.db2.gz YRXXEIHCZLKRHG-UHFFFAOYSA-N -1 3 274.082 3.372 20 0 CGADHM CCc1cccc(C(=O)N2CC[C@@H](CC)[C@@H]2C)c1[O-] ZINC001138452250 803941959 /nfs/dbraw/zinc/94/19/59/803941959.db2.gz NJNJFJOMZITBTE-NWDGAFQWSA-N -1 3 261.365 3.215 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)[C@H]2CCC[C@H](C)C2)o1 ZINC001212177736 814988351 /nfs/dbraw/zinc/98/83/51/814988351.db2.gz WRVJOTVUJIHTJX-DRZSPHRISA-N -1 3 285.409 3.081 20 0 CGADHM C[C@H]1CCCCCN1Cc1ccc([O-])c(F)c1F ZINC001140891531 804543467 /nfs/dbraw/zinc/54/34/67/804543467.db2.gz ZUAAOYDBNSHNNQ-JTQLQIEISA-N -1 3 255.308 3.435 20 0 CGADHM [O-]c1ccc(CN2CC[C@@H](c3cccnc3)C2)c(F)c1F ZINC001140894116 804545098 /nfs/dbraw/zinc/54/50/98/804545098.db2.gz RAKPFOYBINELDL-GFCCVEGCSA-N -1 3 290.313 3.055 20 0 CGADHM CN(CCOc1ccccc1)Cc1ccc([O-])c(F)c1F ZINC001140894136 804545746 /nfs/dbraw/zinc/54/57/46/804545746.db2.gz RQRZZPJQZPYDDY-UHFFFAOYSA-N -1 3 293.313 3.181 20 0 CGADHM [O-]c1c(F)cc(CN2CCC(OC3CCC3)CC2)cc1F ZINC001140987774 804561426 /nfs/dbraw/zinc/56/14/26/804561426.db2.gz CYNYPUPGUKMCMY-UHFFFAOYSA-N -1 3 297.345 3.204 20 0 CGADHM Cc1ccc(C(=O)NC[C@H]2CSc3ccccc32)c([O-])c1 ZINC001141356362 804634764 /nfs/dbraw/zinc/63/47/64/804634764.db2.gz ODUJYUWPACTTNW-LBPRGKRZSA-N -1 3 299.395 3.320 20 0 CGADHM CC[C@H]1CCCC[C@H]1CNC(=O)c1c([O-])cccc1OC ZINC001141532396 804651385 /nfs/dbraw/zinc/65/13/85/804651385.db2.gz FIJDNQLKVMDHKM-STQMWFEESA-N -1 3 291.391 3.347 20 0 CGADHM O=C(NCc1ccc(C2CC2)cc1F)c1ccccc1[O-] ZINC001141736185 804666008 /nfs/dbraw/zinc/66/60/08/804666008.db2.gz VJEGOVFWRDKSPH-UHFFFAOYSA-N -1 3 285.318 3.339 20 0 CGADHM C[C@@H]1C[C@@H](O)CCN1Cc1c(Cl)cc([O-])cc1Cl ZINC001142115049 804696127 /nfs/dbraw/zinc/69/61/27/804696127.db2.gz VHGNSTRHHGRLHC-BDAKNGLRSA-N -1 3 290.190 3.044 20 0 CGADHM CN(Cc1ccon1)Cc1c(Cl)cc([O-])cc1Cl ZINC001142114837 804696506 /nfs/dbraw/zinc/69/65/06/804696506.db2.gz QCEMTLZRMLEUBO-UHFFFAOYSA-N -1 3 287.146 3.319 20 0 CGADHM CCOc1cccnc1Nc1cc(F)cc(F)c1[O-] ZINC001212477701 815033778 /nfs/dbraw/zinc/03/37/78/815033778.db2.gz MBLTWHKIDGCKRC-UHFFFAOYSA-N -1 3 266.247 3.208 20 0 CGADHM [O-]c1c(F)cc(F)cc1Nc1ncc2ccccc2n1 ZINC001212477883 815033950 /nfs/dbraw/zinc/03/39/50/815033950.db2.gz OWGFYHRXTXCKBU-UHFFFAOYSA-N -1 3 273.242 3.357 20 0 CGADHM Cc1cc(Nc2cc(F)cc(F)c2[O-])n(CC2CC2)n1 ZINC001212481894 815035943 /nfs/dbraw/zinc/03/59/43/815035943.db2.gz PGQWVQDOWBRBAA-UHFFFAOYSA-N -1 3 279.290 3.329 20 0 CGADHM COc1cc(Nc2cc(F)cc(F)c2[O-])ncc1C ZINC001212484164 815037437 /nfs/dbraw/zinc/03/74/37/815037437.db2.gz NVLVFHIVNHTPQY-UHFFFAOYSA-N -1 3 266.247 3.126 20 0 CGADHM CCc1cccnc1-c1noc(Cc2ccc([O-])cc2F)n1 ZINC001248142803 804886516 /nfs/dbraw/zinc/88/65/16/804886516.db2.gz AILODRLQFYWKDT-UHFFFAOYSA-N -1 3 299.305 3.130 20 0 CGADHM CCc1ccc(C(=O)N[C@H](C)Cc2cccs2)c([O-])c1 ZINC001144099133 804935746 /nfs/dbraw/zinc/93/57/46/804935746.db2.gz RXTZFWYPJZLHFN-LLVKDONJSA-N -1 3 289.400 3.377 20 0 CGADHM [O-]c1cc(F)c(CN2C[C@H]3[C@H](CCC3(F)F)C2)c(F)c1 ZINC001144545133 805000384 /nfs/dbraw/zinc/00/03/84/805000384.db2.gz STZFXMLCZAJPPX-KCJUWKMLSA-N -1 3 289.272 3.148 20 0 CGADHM C[C@H]1CCC[C@H](C)N1Cc1c(F)cc([O-])cc1F ZINC001144541120 805000480 /nfs/dbraw/zinc/00/04/80/805000480.db2.gz BDSPIAQBDDOSDP-UWVGGRQHSA-N -1 3 255.308 3.433 20 0 CGADHM CCC[C@H]1CC[C@H](C(=O)Nc2ncccc2[O-])CC1 ZINC001144636855 805018354 /nfs/dbraw/zinc/01/83/54/805018354.db2.gz UWOXKBSALUCXFU-HAQNSBGRSA-N -1 3 262.353 3.332 20 0 CGADHM C[C@@H]1CCCN(Cc2cc(F)c([O-])cc2F)CC1 ZINC001144648824 805022666 /nfs/dbraw/zinc/02/26/66/805022666.db2.gz YFTPNCKOBBBQGS-SNVBAGLBSA-N -1 3 255.308 3.292 20 0 CGADHM [O-]c1cc(F)c(CN2CCCCCCC2)cc1F ZINC001144657951 805025771 /nfs/dbraw/zinc/02/57/71/805025771.db2.gz OKOBDHLOXNOZHH-UHFFFAOYSA-N -1 3 255.308 3.437 20 0 CGADHM CC(=O)c1cccc([O-])c1NC(=O)c1sccc1C ZINC001147113608 805111202 /nfs/dbraw/zinc/11/12/02/805111202.db2.gz QRZIIWFNQQNADO-UHFFFAOYSA-N -1 3 275.329 3.217 20 0 CGADHM CCc1ccc(NC(=O)c2ccc(C(C)=O)cc2)c([O-])c1 ZINC001148306344 805173180 /nfs/dbraw/zinc/17/31/80/805173180.db2.gz BLQDSMNWTICSEQ-UHFFFAOYSA-N -1 3 283.327 3.410 20 0 CGADHM Cc1c(C(=O)Nc2cncc([O-])c2)cccc1C(F)(F)F ZINC001148738395 805207704 /nfs/dbraw/zinc/20/77/04/805207704.db2.gz ADDFIAQXGAPRKN-UHFFFAOYSA-N -1 3 296.248 3.367 20 0 CGADHM Cc1c(F)c(C)c(F)c(C(=O)Nc2cncc([O-])c2)c1F ZINC001148752209 805208697 /nfs/dbraw/zinc/20/86/97/805208697.db2.gz FFTNZRUNXZBSMV-UHFFFAOYSA-N -1 3 296.248 3.074 20 0 CGADHM C[C@@H]1CCCCN(Cc2ccc(F)c(C(=O)[O-])c2F)C1 ZINC001249761430 805237435 /nfs/dbraw/zinc/23/74/35/805237435.db2.gz VXDACVVDFDADQO-SNVBAGLBSA-N -1 3 283.318 3.285 20 0 CGADHM Nc1ccc2nn(-c3cccc([O-])c3F)c(Cl)c2c1 ZINC001212549404 815063683 /nfs/dbraw/zinc/06/36/83/815063683.db2.gz LNKMFEULAUUKRH-UHFFFAOYSA-N -1 3 277.686 3.106 20 0 CGADHM Cc1cc(C)cc(-c2noc(-c3ccc([O-])cn3)n2)c1 ZINC001212557854 815067703 /nfs/dbraw/zinc/06/77/03/815067703.db2.gz DOEWPZIZNTZQES-UHFFFAOYSA-N -1 3 267.288 3.121 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])C1(Nc2ccccc2)CC1 ZINC001153467426 805399015 /nfs/dbraw/zinc/39/90/15/805399015.db2.gz GSGLFEAVGWSSON-UHFFFAOYSA-N -1 3 286.306 3.115 20 0 CGADHM COc1cccc([O-])c1C(=O)N1Cc2ccccc2[C@H](C)C1 ZINC001154211306 805441011 /nfs/dbraw/zinc/44/10/11/805441011.db2.gz ROGPHMYBVAAHIT-GFCCVEGCSA-N -1 3 297.354 3.160 20 0 CGADHM Cc1ccc2ncc([O-])c(C(=O)N3C4CCC3CC4)c2c1 ZINC001154532711 805461867 /nfs/dbraw/zinc/46/18/67/805461867.db2.gz SKOSSWGWIVALAD-UHFFFAOYSA-N -1 3 282.343 3.016 20 0 CGADHM O=c1[n-]cncc1Nc1cnc(Cl)c(Cl)c1Cl ZINC001250198788 805484692 /nfs/dbraw/zinc/48/46/92/805484692.db2.gz UTLBBQZZUUOXEL-UHFFFAOYSA-N -1 3 291.525 3.281 20 0 CGADHM NC(=O)c1cc(Nc2ccc(Cl)c([O-])c2)ccc1F ZINC001212593397 815079438 /nfs/dbraw/zinc/07/94/38/815079438.db2.gz ORVNZQKSTNLKIU-UHFFFAOYSA-N -1 3 280.686 3.027 20 0 CGADHM NC(=O)c1c(F)cccc1Nc1ccc(Cl)c([O-])c1 ZINC001212592223 815079786 /nfs/dbraw/zinc/07/97/86/815079786.db2.gz FJDFVDPDJBEJML-UHFFFAOYSA-N -1 3 280.686 3.027 20 0 CGADHM Fc1ccccc1OCCCc1ccc(-c2nnn[n-]2)cc1 ZINC001250275562 805537586 /nfs/dbraw/zinc/53/75/86/805537586.db2.gz OTOQVAXKJIDIBY-UHFFFAOYSA-N -1 3 298.321 3.017 20 0 CGADHM Fc1ccccc1OCCCc1ccc(-c2nn[n-]n2)cc1 ZINC001250275562 805537593 /nfs/dbraw/zinc/53/75/93/805537593.db2.gz OTOQVAXKJIDIBY-UHFFFAOYSA-N -1 3 298.321 3.017 20 0 CGADHM Cc1ccc([O-])c(-c2nnc(CC3CCCCC3)o2)n1 ZINC001257055951 807039225 /nfs/dbraw/zinc/03/92/25/807039225.db2.gz RDHWNXXAXAPJRC-UHFFFAOYSA-N -1 3 273.336 3.268 20 0 CGADHM CCc1ccc(C(=O)N[C@@H](C(C)C)C2CC2)c([O-])c1 ZINC001167514861 807201472 /nfs/dbraw/zinc/20/14/72/807201472.db2.gz ZLHOSUDMXWRQBB-HNNXBMFYSA-N -1 3 261.365 3.119 20 0 CGADHM [O-]c1cccc(O)c1-c1nnc(CCCc2ccccc2)o1 ZINC001257746779 807219463 /nfs/dbraw/zinc/21/94/63/807219463.db2.gz ITCNTKUWFCRBSN-UHFFFAOYSA-N -1 3 296.326 3.323 20 0 CGADHM Cc1ccc(Cl)cc1-c1noc(-c2cncc([O-])c2)n1 ZINC001212708358 815109082 /nfs/dbraw/zinc/10/90/82/815109082.db2.gz GFAXKGHZTFVBHH-UHFFFAOYSA-N -1 3 287.706 3.466 20 0 CGADHM Cc1ccc(-c2nnc(Cc3cccc(F)c3)o2)c([O-])c1 ZINC001258486231 807477055 /nfs/dbraw/zinc/47/70/55/807477055.db2.gz XQTFRAFQJFZVAD-UHFFFAOYSA-N -1 3 284.290 3.481 20 0 CGADHM Cc1nc(NCc2ncccc2[O-])cc(-c2ccccc2)n1 ZINC001169727244 807700162 /nfs/dbraw/zinc/70/01/62/807700162.db2.gz SDSUZOAWBVHPBX-UHFFFAOYSA-N -1 3 292.342 3.165 20 0 CGADHM CC1(C)CC(=O)Nc2cccc(NCc3ncccc3[O-])c21 ZINC001169733107 807701512 /nfs/dbraw/zinc/70/15/12/807701512.db2.gz SLSCSJJDVCIFHJ-UHFFFAOYSA-N -1 3 297.358 3.019 20 0 CGADHM CCOc1ncc(Nc2cc([O-])c(F)cc2F)cc1F ZINC001212832415 815150135 /nfs/dbraw/zinc/15/01/35/815150135.db2.gz UCPWZSLURHFHBX-UHFFFAOYSA-N -1 3 284.237 3.347 20 0 CGADHM Nc1ccc(C(=O)N2CCC[C@H](C3CCCC3)C2)c([O-])c1 ZINC001263326691 807947236 /nfs/dbraw/zinc/94/72/36/807947236.db2.gz XMFYGJFJQBGFIV-ZDUSSCGKSA-N -1 3 288.391 3.017 20 0 CGADHM Fc1cc2c(c(F)c1F)C[C@H](NC1=CC=C[CH]1)CC2 ZINC001171517611 808084366 /nfs/dbraw/zinc/08/43/66/808084366.db2.gz PBKPFYZSZJNXAI-LLVKDONJSA-N -1 3 264.270 3.209 20 0 CGADHM CC(=O)c1cccc(Nc2cc(Cl)ncc2[O-])c1 ZINC001173902970 808753969 /nfs/dbraw/zinc/75/39/69/808753969.db2.gz SOPXAYRWRZNART-UHFFFAOYSA-N -1 3 262.696 3.387 20 0 CGADHM CC(=O)Nc1ccccc1Nc1ccc([O-])c(F)c1F ZINC001173994961 808810637 /nfs/dbraw/zinc/81/06/37/808810637.db2.gz ZIARDKFENKDXSV-UHFFFAOYSA-N -1 3 278.258 3.372 20 0 CGADHM CCOC(=O)c1cnoc1[N-]c1cc(C)ccc1F ZINC001174110677 808871398 /nfs/dbraw/zinc/87/13/98/808871398.db2.gz MXJOSZMJNMFOEZ-UHFFFAOYSA-N -1 3 264.256 3.042 20 0 CGADHM [O-]c1ccc(Nc2ccc3c(c2)NCC3)c(F)c1F ZINC001213152185 815245212 /nfs/dbraw/zinc/24/52/12/815245212.db2.gz VZZYBUQLCHRWSJ-UHFFFAOYSA-N -1 3 262.259 3.382 20 0 CGADHM [O-]c1c(F)cc(Nc2cccc3n[nH]cc32)cc1F ZINC001174344075 808964839 /nfs/dbraw/zinc/96/48/39/808964839.db2.gz MICZXLVWFZHKDM-UHFFFAOYSA-N -1 3 261.231 3.290 20 0 CGADHM [O-]c1c(F)cc(Nc2cccc3[nH]ncc32)cc1F ZINC001174344075 808964840 /nfs/dbraw/zinc/96/48/40/808964840.db2.gz MICZXLVWFZHKDM-UHFFFAOYSA-N -1 3 261.231 3.290 20 0 CGADHM Cc1c(Nc2ccc(C)c([O-])c2Cl)cnn1C ZINC001174390675 808990192 /nfs/dbraw/zinc/99/01/92/808990192.db2.gz MLQXJBLZVGJJCF-UHFFFAOYSA-N -1 3 251.717 3.140 20 0 CGADHM [O-]c1cc(F)cc(F)c1Nc1ccc2cn[nH]c2c1 ZINC001174500790 809048890 /nfs/dbraw/zinc/04/88/90/809048890.db2.gz YQZLOXFOHAGOJT-UHFFFAOYSA-N -1 3 261.231 3.290 20 0 CGADHM [O-]c1cc(F)cc(F)c1Nc1ccc2c[nH]nc2c1 ZINC001174500790 809048895 /nfs/dbraw/zinc/04/88/95/809048895.db2.gz YQZLOXFOHAGOJT-UHFFFAOYSA-N -1 3 261.231 3.290 20 0 CGADHM NC(=O)c1ccc(Nc2cccc(C(F)F)c2)cc1[O-] ZINC001174625177 809107059 /nfs/dbraw/zinc/10/70/59/809107059.db2.gz YYKGAMATKCGDBZ-UHFFFAOYSA-N -1 3 278.258 3.172 20 0 CGADHM Cc1cncc(Nc2cc(=O)n(-c3ccccc3)[n-]2)c1 ZINC001174753105 809153531 /nfs/dbraw/zinc/15/35/31/809153531.db2.gz KBKWCVSUZTUCSU-UHFFFAOYSA-N -1 3 266.304 3.025 20 0 CGADHM CCOC(=O)c1nonc1[N-]c1ccc2ccccc2c1 ZINC001174871959 809185142 /nfs/dbraw/zinc/18/51/42/809185142.db2.gz CSQYWEUKNKRHEA-UHFFFAOYSA-N -1 3 283.287 3.143 20 0 CGADHM COCc1ccc([N-]c2nnc(-c3ccco3)o2)cc1 ZINC001174916997 809198382 /nfs/dbraw/zinc/19/83/82/809198382.db2.gz MOGRTVUKTGKJOH-UHFFFAOYSA-N -1 3 271.276 3.220 20 0 CGADHM [O-]c1cc(F)cnc1Nc1cc(F)c(F)c(F)c1 ZINC001174958689 809216348 /nfs/dbraw/zinc/21/63/48/809216348.db2.gz ZGPYHHSUAZBISY-UHFFFAOYSA-N -1 3 258.174 3.087 20 0 CGADHM COC(=O)c1ccc(Nc2cc(F)c([O-])c(F)c2)s1 ZINC001213370232 815271032 /nfs/dbraw/zinc/27/10/32/815271032.db2.gz AREGAMCQUOAORF-UHFFFAOYSA-N -1 3 285.271 3.262 20 0 CGADHM [O-]c1c(F)cc(Nc2cnn3cc(F)ccc23)cc1F ZINC001213379227 815273628 /nfs/dbraw/zinc/27/36/28/815273628.db2.gz HGMDWDHEVOYRML-UHFFFAOYSA-N -1 3 279.221 3.201 20 0 CGADHM [O-]c1c(F)cc(Nc2cccc3c2COC3)cc1F ZINC001213386750 815275241 /nfs/dbraw/zinc/27/52/41/815275241.db2.gz SUSRJSXGOSYRKB-UHFFFAOYSA-N -1 3 263.243 3.444 20 0 CGADHM COc1cc(N)ccc1Nc1c(F)cc([O-])cc1F ZINC001175096671 809268553 /nfs/dbraw/zinc/26/85/53/809268553.db2.gz HWBOCYYVZNDTRA-UHFFFAOYSA-N -1 3 266.247 3.005 20 0 CGADHM COC(=O)c1cccc(F)c1Nc1c(F)cc([O-])cc1F ZINC001175097723 809269725 /nfs/dbraw/zinc/26/97/25/809269725.db2.gz VVIYRLCBJDRWAE-UHFFFAOYSA-N -1 3 297.232 3.340 20 0 CGADHM Cc1c(Nc2c(F)cc([O-])cc2F)ccc2c1OCCO2 ZINC001175103042 809273337 /nfs/dbraw/zinc/27/33/37/809273337.db2.gz RTIASCHDVZMAAU-UHFFFAOYSA-N -1 3 293.269 3.494 20 0 CGADHM CCOc1cc(Nc2cnc[n-]c2=O)cc(C(F)(F)F)c1 ZINC001175138783 809286265 /nfs/dbraw/zinc/28/62/65/809286265.db2.gz DAZVIKSNOHFGIK-UHFFFAOYSA-N -1 3 299.252 3.343 20 0 CGADHM [O-]c1ccc(F)c(Nc2cnc3ccc(Cl)nn23)c1F ZINC001175263965 809328995 /nfs/dbraw/zinc/32/89/95/809328995.db2.gz ZWKUBDOLYXUUGL-UHFFFAOYSA-N -1 3 296.664 3.110 20 0 CGADHM [O-]c1cc(Cl)cnc1Nc1c(F)ccc(O)c1F ZINC001175262838 809330283 /nfs/dbraw/zinc/33/02/83/809330283.db2.gz NXJJQEYEXKGTHF-UHFFFAOYSA-N -1 3 272.638 3.168 20 0 CGADHM [O-]c1ccc(F)c(Nc2ccccc2OC2COC2)c1F ZINC001175268803 809332720 /nfs/dbraw/zinc/33/27/20/809332720.db2.gz WXPAPFPJGXYRKA-UHFFFAOYSA-N -1 3 293.269 3.192 20 0 CGADHM O=C1CCc2c(Nc3c(F)ccc([O-])c3F)cccc2N1 ZINC001175270508 809333806 /nfs/dbraw/zinc/33/38/06/809333806.db2.gz CPMSHBFQVIWRNG-UHFFFAOYSA-N -1 3 290.269 3.299 20 0 CGADHM [O-]c1ccc(F)c(Nc2cccc3snnc32)c1F ZINC001175270015 809334217 /nfs/dbraw/zinc/33/42/17/809334217.db2.gz RNDIFYZENCQUAI-UHFFFAOYSA-N -1 3 279.271 3.419 20 0 CGADHM Cc1cc(CO)cc(Nc2c(F)ccc([O-])c2F)c1 ZINC001175269981 809334319 /nfs/dbraw/zinc/33/43/19/809334319.db2.gz PZRWMXIWDGVNNQ-UHFFFAOYSA-N -1 3 265.259 3.215 20 0 CGADHM Nc1ccccc1-c1nccn1-c1c(F)ccc([O-])c1F ZINC001175270386 809334460 /nfs/dbraw/zinc/33/44/60/809334460.db2.gz YZWGFAQEBIWBBG-UHFFFAOYSA-N -1 3 287.269 3.105 20 0 CGADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1ccsc1Cl ZINC001289105729 809375597 /nfs/dbraw/zinc/37/55/97/809375597.db2.gz BBHTXBBNQQCOEX-UHFFFAOYSA-N -1 3 294.723 3.032 20 0 CGADHM Cn1cc2cccc(Nc3ccc([O-])c(F)c3F)c2n1 ZINC001175459464 809413389 /nfs/dbraw/zinc/41/33/89/809413389.db2.gz ZDNQFWGNOJCGSA-UHFFFAOYSA-N -1 3 275.258 3.301 20 0 CGADHM Cn1ccc2cc(-c3noc(-c4cc(Cl)n[n-]4)n3)ccc21 ZINC001213498842 815291340 /nfs/dbraw/zinc/29/13/40/815291340.db2.gz VSXOPJUFWHANMT-UHFFFAOYSA-N -1 3 299.721 3.272 20 0 CGADHM CCNC(=O)c1ccc(Nc2cc([O-])c(F)cc2F)cc1 ZINC001175632450 809480917 /nfs/dbraw/zinc/48/09/17/809480917.db2.gz CYBCDWWHPGWXKE-UHFFFAOYSA-N -1 3 292.285 3.164 20 0 CGADHM O=C(Nc1cccc([O-])c1F)c1coc(C(F)F)c1 ZINC001295127953 809482507 /nfs/dbraw/zinc/48/25/07/809482507.db2.gz HBUWVBDHSPHLOA-UHFFFAOYSA-N -1 3 271.194 3.314 20 0 CGADHM COc1cc(Nc2cccc([O-])c2Cl)c(F)cn1 ZINC001175692440 809507894 /nfs/dbraw/zinc/50/78/94/809507894.db2.gz SVZFBYXIYINGLT-UHFFFAOYSA-N -1 3 268.675 3.332 20 0 CGADHM O=c1cc(Nc2ccc3ccncc3c2)nc(C2CC2)[n-]1 ZINC001175702339 809513579 /nfs/dbraw/zinc/51/35/79/809513579.db2.gz GXKWDMBDYZMTBB-UHFFFAOYSA-N -1 3 278.315 3.351 20 0 CGADHM CCc1nnc([N-]c2cnn(-c3ccccc3)c2)s1 ZINC001175790974 809543716 /nfs/dbraw/zinc/54/37/16/809543716.db2.gz IACYEKDVAOWWLT-UHFFFAOYSA-N -1 3 271.349 3.030 20 0 CGADHM COc1cccc([O-])c1C(=O)NC[C@H]1C[C@H](C)C[C@H](C)C1 ZINC001300540158 809570483 /nfs/dbraw/zinc/57/04/83/809570483.db2.gz KVFFNYBGZSDDGK-ITGUQSILSA-N -1 3 291.391 3.203 20 0 CGADHM O=C(NC[C@@H]1C=CCC1)c1cc([O-])c2ccccc2c1 ZINC001303083265 809604319 /nfs/dbraw/zinc/60/43/19/809604319.db2.gz FEMHEXPUTXEUNJ-GFCCVEGCSA-N -1 3 267.328 3.241 20 0 CGADHM [O-]c1c(Br)ccc(Cl)c1Nc1ncc[nH]1 ZINC001176090492 809620534 /nfs/dbraw/zinc/62/05/34/809620534.db2.gz HZDXTGBLTJKNON-UHFFFAOYSA-N -1 3 288.532 3.275 20 0 CGADHM Cc1nnc([N-]c2cccc(OC3CCCC3)c2)o1 ZINC001176096869 809622270 /nfs/dbraw/zinc/62/22/70/809622270.db2.gz FLJFSIOCNMHELW-UHFFFAOYSA-N -1 3 259.309 3.443 20 0 CGADHM [O-]c1ccc(CN[C@H]2CCc3c2cccc3O)c(F)c1F ZINC001182051846 810092060 /nfs/dbraw/zinc/09/20/60/810092060.db2.gz GBXUMBOUKXQTKB-LBPRGKRZSA-N -1 3 291.297 3.153 20 0 CGADHM O=C(CCCC1CCCCC1)Nc1cncc([O-])c1 ZINC001184221990 810183784 /nfs/dbraw/zinc/18/37/84/810183784.db2.gz DPYDKSOYINONCJ-UHFFFAOYSA-N -1 3 262.353 3.476 20 0 CGADHM Cc1ccc(C)c(C(=O)Nc2cc([O-])cc(Cl)c2)n1 ZINC001184598246 810211447 /nfs/dbraw/zinc/21/14/47/810211447.db2.gz UUAGTSFXESCLTE-UHFFFAOYSA-N -1 3 276.723 3.310 20 0 CGADHM O=C(NCCc1ccccc1)Nc1cc([O-])cc(Cl)c1 ZINC001184941621 810224809 /nfs/dbraw/zinc/22/48/09/810224809.db2.gz XYAJNPDBJFNVOB-UHFFFAOYSA-N -1 3 290.750 3.410 20 0 CGADHM O=C(Nc1cccnc1)Nc1c([O-])cccc1C(F)(F)F ZINC001185695970 810285100 /nfs/dbraw/zinc/28/51/00/810285100.db2.gz RXUINQJQXLCCSD-UHFFFAOYSA-N -1 3 297.236 3.450 20 0 CGADHM O=C(Nc1cccnc1)Nc1cc([O-])cc(Cl)c1 ZINC001185694972 810285133 /nfs/dbraw/zinc/28/51/33/810285133.db2.gz FLGJHKPOPFPOCX-UHFFFAOYSA-N -1 3 263.684 3.085 20 0 CGADHM COc1cc(Cl)ncc1NC(=O)c1c(C)cccc1[O-] ZINC001188640049 810497068 /nfs/dbraw/zinc/49/70/68/810497068.db2.gz CPLVWEWZEDJULD-UHFFFAOYSA-N -1 3 292.722 3.010 20 0 CGADHM Cc1cccc([O-])c1C(=O)Nc1ccc2c(ccn2C)c1 ZINC001188648440 810498233 /nfs/dbraw/zinc/49/82/33/810498233.db2.gz JPAFAYCQLBDFIY-UHFFFAOYSA-N -1 3 280.327 3.445 20 0 CGADHM Cc1cccc([O-])c1C(=O)NC[C@H]1CCc2ccccc21 ZINC001188658218 810499974 /nfs/dbraw/zinc/49/99/74/810499974.db2.gz AMWCXDAYPAJGMY-CQSZACIVSA-N -1 3 281.355 3.160 20 0 CGADHM Cc1ccc(CCNC(=O)c2c(C)cccc2[O-])c(C)c1 ZINC001188655247 810500797 /nfs/dbraw/zinc/50/07/97/810500797.db2.gz LRLZCTRCPOOTGI-UHFFFAOYSA-N -1 3 283.371 3.290 20 0 CGADHM Cc1ccc2c(c1)N(Cc1cc(=O)[n-]c(C3CC3)n1)CCC2 ZINC001190965761 810658469 /nfs/dbraw/zinc/65/84/69/810658469.db2.gz KAFKPBMSCKWNQC-UHFFFAOYSA-N -1 3 295.386 3.321 20 0 CGADHM O=C([N-]c1cc(Cc2ccccc2)no1)Nc1ccccn1 ZINC001191295635 810698969 /nfs/dbraw/zinc/69/89/69/810698969.db2.gz UVMLVEDMBQOANC-UHFFFAOYSA-N -1 3 294.314 3.304 20 0 CGADHM O=C(Nc1cncc([O-])c1)c1cncc(-c2cccs2)c1 ZINC001191814279 810745853 /nfs/dbraw/zinc/74/58/53/810745853.db2.gz XTTHZCTYUPIDEG-UHFFFAOYSA-N -1 3 297.339 3.163 20 0 CGADHM CC(C)(C)c1ccc(C(=O)N[C@H]2C[C@H]2C2CC2)c([O-])c1 ZINC001192341280 810787160 /nfs/dbraw/zinc/78/71/60/810787160.db2.gz WJDWCSCBWZDCCQ-KBPBESRZSA-N -1 3 273.376 3.218 20 0 CGADHM CC(C)OC(=O)Nc1c([O-])cccc1C(F)(F)F ZINC001193491894 810896326 /nfs/dbraw/zinc/89/63/26/810896326.db2.gz KTKBJFFMQCTZLD-UHFFFAOYSA-N -1 3 263.215 3.368 20 0 CGADHM CCCCOC(=O)N=c1[nH]c2c(cccc2[O-])s1 ZINC001193659116 810930018 /nfs/dbraw/zinc/93/00/18/810930018.db2.gz RMDAQFMPXAYDDN-UHFFFAOYSA-N -1 3 266.322 3.351 20 0 CGADHM Cc1ccc(CN(C)C(=O)c2c(C)cc(O)cc2[O-])cc1C ZINC001193929826 810979937 /nfs/dbraw/zinc/97/99/37/810979937.db2.gz LZEKQNHMXAJCOY-UHFFFAOYSA-N -1 3 299.370 3.295 20 0 CGADHM CCCC[C@@H](CC)COC(=O)Nc1cc(=O)[n-]c(C)n1 ZINC001193944067 810982821 /nfs/dbraw/zinc/98/28/21/810982821.db2.gz GQAAPBYTRCCSFI-LLVKDONJSA-N -1 3 281.356 3.256 20 0 CGADHM Cc1cccc(C)c1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC001194602660 811092872 /nfs/dbraw/zinc/09/28/72/811092872.db2.gz JHOKFDJAHSERQF-UHFFFAOYSA-N -1 3 279.336 3.243 20 0 CGADHM CCc1cnc(Nc2c(Cl)ccc([O-])c2F)cn1 ZINC001214555945 815423728 /nfs/dbraw/zinc/42/37/28/815423728.db2.gz BRCZTGNXDLIEGH-UHFFFAOYSA-N -1 3 267.691 3.281 20 0 CGADHM NC(=O)c1cc(Nc2c(Cl)ccc([O-])c2F)ccc1F ZINC001214563822 815424192 /nfs/dbraw/zinc/42/41/92/815424192.db2.gz UZDJDZGGCDOTNK-UHFFFAOYSA-N -1 3 298.676 3.166 20 0 CGADHM NC(=O)c1ccc(F)c(Nc2c(Cl)ccc([O-])c2F)c1 ZINC001214563893 815424378 /nfs/dbraw/zinc/42/43/78/815424378.db2.gz YCRSSBSWEIVGFQ-UHFFFAOYSA-N -1 3 298.676 3.166 20 0 CGADHM Cc1ccc([O-])c(C(=O)N[C@H](CC(C)C)c2ccccn2)n1 ZINC001195331886 811242174 /nfs/dbraw/zinc/24/21/74/811242174.db2.gz IDHQAWCDXUNBGY-CQSZACIVSA-N -1 3 299.374 3.008 20 0 CGADHM Cc1noc(C(C)C)c1C(=O)Nc1ccc(F)c([O-])c1 ZINC001197353344 811419880 /nfs/dbraw/zinc/41/98/80/811419880.db2.gz YICDIULUJZLMLD-UHFFFAOYSA-N -1 3 278.283 3.203 20 0 CGADHM O=C(Nc1ccc(F)c([O-])c1)c1cccc2cc[nH]c21 ZINC001201317320 811812747 /nfs/dbraw/zinc/81/27/47/811812747.db2.gz FKLLAKRXZHPKJL-UHFFFAOYSA-N -1 3 270.263 3.265 20 0 CGADHM O=C(NCc1ccccc1)Nc1nc2c(cccc2[O-])s1 ZINC001202624413 812140473 /nfs/dbraw/zinc/14/04/73/812140473.db2.gz ZBYMVEDHOAWDPA-UHFFFAOYSA-N -1 3 299.355 3.324 20 0 CGADHM Cc1ccc(NC(=O)Nc2cncc([O-])c2)c(C)c1 ZINC001202738548 812161427 /nfs/dbraw/zinc/16/14/27/812161427.db2.gz AQHCGMHLMPBMEN-UHFFFAOYSA-N -1 3 257.293 3.048 20 0 CGADHM [O-]c1cccc2sc(Nc3cccc(CCO)c3)nc21 ZINC001203106542 812240985 /nfs/dbraw/zinc/24/09/85/812240985.db2.gz PXEVFXIVWWFJDS-UHFFFAOYSA-N -1 3 286.356 3.280 20 0 CGADHM CCOc1c(F)c(F)ccc1Nc1ncc(F)cc1[O-] ZINC001215412964 815518373 /nfs/dbraw/zinc/51/83/73/815518373.db2.gz JQOXJVZOUXFRAW-UHFFFAOYSA-N -1 3 284.237 3.347 20 0 CGADHM [O-]c1cc(F)c(Nc2cc3ccccn3n2)cc1F ZINC001215572370 815537012 /nfs/dbraw/zinc/53/70/12/815537012.db2.gz FCDIYFAKJIXAQJ-UHFFFAOYSA-N -1 3 261.231 3.062 20 0 CGADHM [O-]c1cc(F)c(Nc2cn3nc(Cl)ccc3n2)cc1F ZINC001215571052 815537039 /nfs/dbraw/zinc/53/70/39/815537039.db2.gz UZSQKBQFWQVWFW-UHFFFAOYSA-N -1 3 296.664 3.110 20 0 CGADHM COCOc1ccc(Nc2cccc([O-])c2Cl)cn1 ZINC001215665765 815555782 /nfs/dbraw/zinc/55/57/82/815555782.db2.gz DLNIUWRIISYFRQ-UHFFFAOYSA-N -1 3 280.711 3.167 20 0 CGADHM CC(C)Oc1c(F)c(F)ccc1-c1ccc(=S)[n-]n1 ZINC001205843837 813105588 /nfs/dbraw/zinc/10/55/88/813105588.db2.gz IJSSEIFJOFKUIG-UHFFFAOYSA-N -1 3 282.315 3.498 20 0 CGADHM COc1ccc2nc(-c3ccc([O-])cc3F)nc(C)c2c1 ZINC001206029545 813172037 /nfs/dbraw/zinc/17/20/37/813172037.db2.gz CDPNQHZPGAAAHS-UHFFFAOYSA-N -1 3 284.290 3.459 20 0 CGADHM CSc1nc2ncnc(-c3ccc([O-])cc3F)c2s1 ZINC001206038322 813177533 /nfs/dbraw/zinc/17/75/33/813177533.db2.gz UXTBMZBIQNGHCH-UHFFFAOYSA-N -1 3 293.348 3.320 20 0 CGADHM COc1nnc(-c2ccc([O-])cc2F)cc1C(F)(F)F ZINC001206051146 813182008 /nfs/dbraw/zinc/18/20/08/813182008.db2.gz HJFVKARRLKDCHC-UHFFFAOYSA-N -1 3 288.200 3.016 20 0 CGADHM O=c1c(-c2ccc([O-])cc2F)cccn1-c1ccccc1 ZINC001206080708 813193406 /nfs/dbraw/zinc/19/34/06/813193406.db2.gz PSXZKNALFQZPBX-UHFFFAOYSA-N -1 3 281.286 3.349 20 0 CGADHM COC(=O)c1c(F)c(C)ccc1-c1ccc([O-])cc1F ZINC001206089232 813197417 /nfs/dbraw/zinc/19/74/17/813197417.db2.gz YSYXJNUWBAJRCF-UHFFFAOYSA-N -1 3 278.254 3.432 20 0 CGADHM [O-]c1cc(F)cnc1Nc1cc(F)cc(F)c1F ZINC001206389416 813311071 /nfs/dbraw/zinc/31/10/71/813311071.db2.gz SPGFJYLUFQHLNT-UHFFFAOYSA-N -1 3 258.174 3.087 20 0 CGADHM [O-]c1cc(F)c(Nc2ccc3[nH]cnc3c2)cc1F ZINC001209848611 814167724 /nfs/dbraw/zinc/16/77/24/814167724.db2.gz MVRQSNIMCCUQAR-UHFFFAOYSA-N -1 3 261.231 3.290 20 0 CGADHM Cc1nc(Nc2ccc(C(F)(F)F)c(F)c2)cc(=O)[n-]1 ZINC001209911118 814197893 /nfs/dbraw/zinc/19/78/93/814197893.db2.gz IZPMLVXQTQELTJ-UHFFFAOYSA-N -1 3 287.216 3.392 20 0 CGADHM COc1ccc(Nc2cnc[n-]c2=O)c2ccccc12 ZINC001209923781 814200744 /nfs/dbraw/zinc/20/07/44/814200744.db2.gz RNGJXKNUBAGSGH-UHFFFAOYSA-N -1 3 267.288 3.088 20 0 CGADHM Cc1cc(Nc2ncc(Cl)cc2[O-])ccc1O ZINC001209974394 814225359 /nfs/dbraw/zinc/22/53/59/814225359.db2.gz HBMCCCUSLQOQKY-UHFFFAOYSA-N -1 3 250.685 3.198 20 0 CGADHM CN(C)c1ccccc1[N-]c1noc(C(C)(C)C)n1 ZINC001209988635 814232685 /nfs/dbraw/zinc/23/26/85/814232685.db2.gz GBOHSQBXLHJUME-UHFFFAOYSA-N -1 3 260.341 3.177 20 0 CGADHM CC(=O)c1cc(Nc2ccc(F)cc2[O-])cnc1C ZINC001210016042 814245455 /nfs/dbraw/zinc/24/54/55/814245455.db2.gz CFDXOZDOSRMYMT-UHFFFAOYSA-N -1 3 260.268 3.181 20 0 CGADHM [O-]c1cccc(Nc2cc(F)ccc2CO)c1Cl ZINC001210184771 814325720 /nfs/dbraw/zinc/32/57/20/814325720.db2.gz AONPHKWCMMUDIA-UHFFFAOYSA-N -1 3 267.687 3.421 20 0 CGADHM O=c1cc(Nc2cccc3cc[nH]c32)nc(C2CC2)[n-]1 ZINC001210210947 814341828 /nfs/dbraw/zinc/34/18/28/814341828.db2.gz KJZQBMJEOGDTTR-UHFFFAOYSA-N -1 3 266.304 3.285 20 0 CGADHM CC(C)(C)c1nc(Nc2cccc(Cl)c2[O-])no1 ZINC001210216534 814346253 /nfs/dbraw/zinc/34/62/53/814346253.db2.gz INMCLCQDRCHUDG-UHFFFAOYSA-N -1 3 267.716 3.470 20 0 CGADHM Cc1cc(Nc2cccc(Cl)c2[O-])n(CCF)n1 ZINC001210221199 814347862 /nfs/dbraw/zinc/34/78/62/814347862.db2.gz XDFDIAKDTYDSPO-UHFFFAOYSA-N -1 3 269.707 3.264 20 0 CGADHM Cc1nnc2cc(Nc3cccc(Cl)c3[O-])ccn12 ZINC001210221234 814349824 /nfs/dbraw/zinc/34/98/24/814349824.db2.gz ZBEPLGMCIMTSEL-UHFFFAOYSA-N -1 3 274.711 3.140 20 0 CGADHM COCCCn1cc(Nc2ccc(C)c([O-])c2Cl)cn1 ZINC001210424056 814452337 /nfs/dbraw/zinc/45/23/37/814452337.db2.gz YFQVXPKTGNKWFB-UHFFFAOYSA-N -1 3 295.770 3.331 20 0 CGADHM CSc1cccc(F)c1Nc1ccc(C(N)=O)c([O-])c1 ZINC001215825881 815606699 /nfs/dbraw/zinc/60/66/99/815606699.db2.gz DFSGOOWXPVIZKU-UHFFFAOYSA-N -1 3 292.335 3.096 20 0 CGADHM [O-]c1ccc(Nc2cccc3c2OCO3)c(F)c1F ZINC001210559274 814526612 /nfs/dbraw/zinc/52/66/12/814526612.db2.gz FAXOMOVMHUBIFG-UHFFFAOYSA-N -1 3 265.215 3.143 20 0 CGADHM O=c1cc(Nc2ccc3ccccc3n2)nc(C2CC2)[n-]1 ZINC001210813902 814640961 /nfs/dbraw/zinc/64/09/61/814640961.db2.gz QNVIVXAHYADPRV-UHFFFAOYSA-N -1 3 278.315 3.351 20 0 CGADHM [O-]c1cccc(Nc2ccnn2C2CCOCC2)c1Cl ZINC001210853820 814650507 /nfs/dbraw/zinc/65/05/07/814650507.db2.gz LLEDCPMSXJCEFY-UHFFFAOYSA-N -1 3 293.754 3.337 20 0 CGADHM [O-]c1cccc(Nc2cccnc2-n2cccn2)c1Cl ZINC001210845599 814650515 /nfs/dbraw/zinc/65/05/15/814650515.db2.gz ZOESDXYSIIBTKK-UHFFFAOYSA-N -1 3 286.722 3.370 20 0 CGADHM Cc1cc2ncc(Nc3cccc([O-])c3Cl)cn2n1 ZINC001210853950 814652368 /nfs/dbraw/zinc/65/23/68/814652368.db2.gz ROAIMKPEFZHPEJ-UHFFFAOYSA-N -1 3 274.711 3.140 20 0 CGADHM CC(C)c1nnc([N-]c2cccc(OC3CC3)c2)o1 ZINC001210859023 814653597 /nfs/dbraw/zinc/65/35/97/814653597.db2.gz KUSOHWREABCINI-UHFFFAOYSA-N -1 3 259.309 3.478 20 0 CGADHM CC1(C)COc2cc(Nc3cccc([O-])c3Cl)nn2C1 ZINC001210855751 814653978 /nfs/dbraw/zinc/65/39/78/814653978.db2.gz UZNKLMMTFZTOGT-UHFFFAOYSA-N -1 3 293.754 3.404 20 0 CGADHM CN1CCN(c2cccc(Nc3cccc([S-])c3)c2)CC1 ZINC001210947747 814687197 /nfs/dbraw/zinc/68/71/97/814687197.db2.gz WSNABXNWJCUEKW-UHFFFAOYSA-N -1 3 299.443 3.471 20 0 CGADHM COc1c(Nc2ccnc(C3CC3)c2)cccc1C(=O)[O-] ZINC001211034435 814714211 /nfs/dbraw/zinc/71/42/11/814714211.db2.gz UYZZWJBHOHNXBB-UHFFFAOYSA-N -1 3 284.315 3.409 20 0 CGADHM [O-]c1cc(Cl)c(Nc2cncc(CO)c2)cc1Cl ZINC001211102888 814746020 /nfs/dbraw/zinc/74/60/20/814746020.db2.gz UQAPFPLUIMIJKV-UHFFFAOYSA-N -1 3 285.130 3.330 20 0 CGADHM COc1cc(C)ccc1Nc1cc(=O)[n-]c(C2CC2)n1 ZINC001211115454 814750950 /nfs/dbraw/zinc/75/09/50/814750950.db2.gz CRGWCFPVHYSVED-UHFFFAOYSA-N -1 3 271.320 3.120 20 0 CGADHM Nc1cccc2c1c(Cl)nn2-c1ccc(F)c([O-])c1 ZINC001211219690 814854443 /nfs/dbraw/zinc/85/44/43/814854443.db2.gz QQTMKMOTCDWFNA-UHFFFAOYSA-N -1 3 277.686 3.106 20 0 CGADHM Cc1occc1Nc1ncc(Br)cc1[O-] ZINC001211237671 814856884 /nfs/dbraw/zinc/85/68/84/814856884.db2.gz PAPCOODQKMKJNU-UHFFFAOYSA-N -1 3 269.098 3.195 20 0 CGADHM Cc1cnc(F)c(Nc2cc(F)c([O-])c(F)c2)c1 ZINC001211503649 814898379 /nfs/dbraw/zinc/89/83/79/814898379.db2.gz KMNZCWYRGCAYBL-UHFFFAOYSA-N -1 3 254.211 3.257 20 0 CGADHM Cc1cnc(F)c(Nc2cc(F)c(F)cc2[O-])c1 ZINC001211506489 814899111 /nfs/dbraw/zinc/89/91/11/814899111.db2.gz ZVFLMLOCNUAJPV-UHFFFAOYSA-N -1 3 254.211 3.257 20 0 CGADHM CSc1ccc(Nc2cc(=O)[n-]c(C3CC3)n2)c(C)n1 ZINC001215908290 815626814 /nfs/dbraw/zinc/62/68/14/815626814.db2.gz MKZGCYZTJJRNJC-UHFFFAOYSA-N -1 3 288.376 3.229 20 0 CGADHM COc1cc(Nc2ccc([O-])c(Cl)c2)ccc1CO ZINC001216114685 815701564 /nfs/dbraw/zinc/70/15/64/815701564.db2.gz SHOYDLLGAMXVLH-UHFFFAOYSA-N -1 3 279.723 3.290 20 0 CGADHM Cc1c(F)ccc(F)c1Nc1cc(=O)[n-]c(C2CC2)n1 ZINC001216342394 815793075 /nfs/dbraw/zinc/79/30/75/815793075.db2.gz MVPDNUOEDPGOLW-UHFFFAOYSA-N -1 3 277.274 3.390 20 0 CGADHM Cc1c(F)cccc1-c1noc(-c2cc(O)ccc2[O-])n1 ZINC001216735838 815895651 /nfs/dbraw/zinc/89/56/51/815895651.db2.gz YUSRFRYKTULKJC-UHFFFAOYSA-N -1 3 286.262 3.262 20 0 CGADHM COc1cc([O-])ccc1-c1nc(-c2cccc(F)c2)no1 ZINC001217084400 815908765 /nfs/dbraw/zinc/90/87/65/815908765.db2.gz DLCWDGJRDGRSCP-UHFFFAOYSA-N -1 3 286.262 3.257 20 0 CGADHM c1ccc(-c2noc(-c3nc4ccccc4[n-]3)n2)cc1 ZINC001217136930 815910187 /nfs/dbraw/zinc/91/01/87/815910187.db2.gz KQTDTIRECYEWLM-UHFFFAOYSA-N -1 3 262.272 3.280 20 0 CGADHM CCC[C@H](N)C(=O)Nc1cc(Cl)c(C)c(Cl)c1[O-] ZINC001219012635 816262382 /nfs/dbraw/zinc/26/23/82/816262382.db2.gz AKTHDXVNPSFIFV-QMMMGPOBSA-N -1 3 291.178 3.073 20 0 CGADHM CSc1ncc2c(ccnc2-c2ccc(F)c([O-])c2)n1 ZINC001243046118 823223617 /nfs/dbraw/zinc/22/36/17/823223617.db2.gz AGGUBIJJHWOGIS-UHFFFAOYSA-N -1 3 287.319 3.258 20 0 CGADHM CCOC(=O)c1ccc(-c2ccc(F)c([O-])c2)nc1C ZINC001243049380 823226646 /nfs/dbraw/zinc/22/66/46/823226646.db2.gz SHUVYWPJJPMCLB-UHFFFAOYSA-N -1 3 275.279 3.078 20 0 CGADHM CCOC(=O)Cc1ccccc1-c1ccc(F)c([O-])c1 ZINC001243049311 823226769 /nfs/dbraw/zinc/22/67/69/823226769.db2.gz KNNGSNJVSXQEGG-UHFFFAOYSA-N -1 3 274.291 3.304 20 0 CGADHM CC(=O)N1CCCc2ccc(-c3ccc(F)c([O-])c3)cc21 ZINC001243050163 823226833 /nfs/dbraw/zinc/22/68/33/823226833.db2.gz RAZXGZWKAJBECG-UHFFFAOYSA-N -1 3 285.318 3.497 20 0 CGADHM [O-]c1cc(-c2ccc3c(c2)NC(=S)C3)ccc1F ZINC001243049874 823226846 /nfs/dbraw/zinc/22/68/46/823226846.db2.gz HYWZKWGHHKRDDY-UHFFFAOYSA-N -1 3 259.305 3.494 20 0 CGADHM [O-]c1cc(-c2ncnc3cc(F)cc(F)c32)ccc1F ZINC001243050672 823227607 /nfs/dbraw/zinc/22/76/07/823227607.db2.gz YWTHVLRAAADIRP-UHFFFAOYSA-N -1 3 276.217 3.420 20 0 CGADHM COC(=O)c1ccc(-c2ccc(F)c([O-])c2)cc1C ZINC001243050850 823227673 /nfs/dbraw/zinc/22/76/73/823227673.db2.gz ZYDARLOGQVTZCJ-UHFFFAOYSA-N -1 3 260.264 3.293 20 0 CGADHM CC(C)c1cc(-c2ccc(F)c([O-])c2)nc(N(C)C)n1 ZINC001243050698 823227802 /nfs/dbraw/zinc/22/78/02/823227802.db2.gz RANOQKCXKAHFGF-UHFFFAOYSA-N -1 3 275.327 3.178 20 0 CGADHM CCOc1ncc(-c2ccc(F)c([O-])c2)cc1OC ZINC001243051599 823228462 /nfs/dbraw/zinc/22/84/62/823228462.db2.gz RYMIFXUJAWKUTB-UHFFFAOYSA-N -1 3 263.268 3.001 20 0 CGADHM COC(=O)c1cc(-c2ccc(F)c([O-])c2)c(F)cc1OC ZINC001243051598 823228738 /nfs/dbraw/zinc/22/87/38/823228738.db2.gz ODJLWVXJVVIXOO-UHFFFAOYSA-N -1 3 294.253 3.133 20 0 CGADHM [O-]c1cc(-c2ncnc3[nH]c4c(c32)CCCC4)ccc1F ZINC001243054952 823229789 /nfs/dbraw/zinc/22/97/89/823229789.db2.gz VSWZHFOSHFDTKH-UHFFFAOYSA-N -1 3 283.306 3.348 20 0 CGADHM Cc1ccc([C@@H](C)Oc2[n-]c(=O)ncc2C(F)(F)F)cn1 ZINC001225579026 817099447 /nfs/dbraw/zinc/09/94/47/817099447.db2.gz ITTPGXKZULLZDX-MRVPVSSYSA-N -1 3 299.252 3.044 20 0 CGADHM Cc1cnc(=S)[n-]c1O[C@@H]1CCc2ccccc2C1 ZINC001225742568 817163862 /nfs/dbraw/zinc/16/38/62/817163862.db2.gz MHLQTVXEOCNIBJ-CYBMUJFWSA-N -1 3 272.373 3.010 20 0 CGADHM COc1ccc([C@H](C)Oc2[n-]c(=S)ncc2C)cc1 ZINC001225743050 817163976 /nfs/dbraw/zinc/16/39/76/817163976.db2.gz RGUZNBDORMMRDP-JTQLQIEISA-N -1 3 276.361 3.222 20 0 CGADHM FC(F)(F)c1cc(O[C@H]2C=CCCC2)nc(=S)[n-]1 ZINC001225852312 817196289 /nfs/dbraw/zinc/19/62/89/817196289.db2.gz FNBKNGAMQHQSMA-ZETCQYMHSA-N -1 3 276.283 3.272 20 0 CGADHM COCc1cc(O[C@@H](C)c2ccccc2C)[n-]c(=S)n1 ZINC001225935112 817223039 /nfs/dbraw/zinc/22/30/39/817223039.db2.gz QNAFIAHVARYFJL-NSHDSACASA-N -1 3 290.388 3.360 20 0 CGADHM COC1=CC[C@@H](Oc2[n-]c(=S)ncc2C2CC2)CC1 ZINC001226119204 817277914 /nfs/dbraw/zinc/27/79/14/817277914.db2.gz LJXGBNSSACSAMW-LLVKDONJSA-N -1 3 278.377 3.104 20 0 CGADHM C[C@@H]1c2cnccc2C[C@@H]1Oc1[n-]c(=S)ncc1C1CC1 ZINC001226124877 817279879 /nfs/dbraw/zinc/27/98/79/817279879.db2.gz SYUOJYYXIKAMKJ-OTYXRUKQSA-N -1 3 299.399 3.145 20 0 CGADHM CC[C@@H](Oc1cc(=O)[n-]c(C)n1)c1ccccc1F ZINC001226512083 817381486 /nfs/dbraw/zinc/38/14/86/817381486.db2.gz MOQYQTYXUDCTJB-GFCCVEGCSA-N -1 3 262.284 3.160 20 0 CGADHM C[C@@H](Oc1c([O-])ccc2ccc(=O)oc21)C1CCC1 ZINC001226598067 817409817 /nfs/dbraw/zinc/40/98/17/817409817.db2.gz ZXAYVLSQRRSKOB-SECBINFHSA-N -1 3 260.289 3.066 20 0 CGADHM C[C@H]1CCC[C@@H](Oc2c([O-])ccc3ccc(=O)oc32)C1 ZINC001226597443 817410109 /nfs/dbraw/zinc/41/01/09/817410109.db2.gz UCEQYIQACCMYLT-CMPLNLGQSA-N -1 3 274.316 3.456 20 0 CGADHM CCOC(=O)N1CCC[C@H](Oc2cccc([O-])c2Cl)C1 ZINC001226712747 817443365 /nfs/dbraw/zinc/44/33/65/817443365.db2.gz VEPDQWJKBORXBH-JTQLQIEISA-N -1 3 299.754 3.045 20 0 CGADHM Cc1cc(O[C@H](C)c2cccc(F)c2F)[n-]c(=S)n1 ZINC001226797474 817468467 /nfs/dbraw/zinc/46/84/67/817468467.db2.gz BVLDXWSHLLFHOP-MRVPVSSYSA-N -1 3 282.315 3.492 20 0 CGADHM COc1ccc([C@@H](C)Oc2cc(C)nc(=S)[n-]2)c(F)c1 ZINC001226802047 817470250 /nfs/dbraw/zinc/47/02/50/817470250.db2.gz FNVAZPPMDZVRLX-SECBINFHSA-N -1 3 294.351 3.361 20 0 CGADHM COc1cnc(=O)[n-]c1O[C@@H](C)c1csc(Cl)c1 ZINC001226820882 817474234 /nfs/dbraw/zinc/47/42/34/817474234.db2.gz FWFXDODSYKICRR-LURJTMIESA-N -1 3 286.740 3.046 20 0 CGADHM Cc1ccc(COc2ccnc(=S)[n-]2)c(OC(C)C)c1 ZINC001226942440 817511704 /nfs/dbraw/zinc/51/17/04/817511704.db2.gz MEQHOGBJACQXSK-UHFFFAOYSA-N -1 3 290.388 3.440 20 0 CGADHM C[C@H](Oc1ccc(=O)[n-]n1)c1csc(Cl)c1 ZINC001227095463 817556808 /nfs/dbraw/zinc/55/68/08/817556808.db2.gz QEAHSEXRERSRCL-LURJTMIESA-N -1 3 256.714 3.037 20 0 CGADHM CCCc1c([O-])ccc(C(C)=O)c1O[C@H](C)COCC ZINC001228134360 817820556 /nfs/dbraw/zinc/82/05/56/817820556.db2.gz OABOJOOBNHHIEE-LLVKDONJSA-N -1 3 280.364 3.351 20 0 CGADHM CCCc1c([O-])ccc(C(C)=O)c1O[C@@H]1CCCCC1=O ZINC001228135927 817821483 /nfs/dbraw/zinc/82/14/83/817821483.db2.gz JXFAZBPHPUKWLX-MRXNPFEDSA-N -1 3 290.359 3.438 20 0 CGADHM Cc1cc(-c2cc(N3CCCC3)ccn2)ccc1C(=O)[O-] ZINC001243212876 823294430 /nfs/dbraw/zinc/29/44/30/823294430.db2.gz VEHWLGRKTCALRC-UHFFFAOYSA-N -1 3 282.343 3.355 20 0 CGADHM c1cc(-c2nc(O[C@H]3CCC=CCCC3)n[n-]2)ccn1 ZINC001228700528 817980372 /nfs/dbraw/zinc/98/03/72/817980372.db2.gz SGQKTWWUCZMZIJ-ZDUSSCGKSA-N -1 3 270.336 3.134 20 0 CGADHM CCC[C@@H](C)[C@H](CC)Oc1n[n-]c(-c2ccncc2)n1 ZINC001228699904 817980459 /nfs/dbraw/zinc/98/04/59/817980459.db2.gz JYAQIXFPJPXYAW-YPMHNXCESA-N -1 3 274.368 3.460 20 0 CGADHM C[C@@H](Oc1cc2c(cc1[O-])CCC2=O)c1ccncc1 ZINC001228856598 818025633 /nfs/dbraw/zinc/02/56/33/818025633.db2.gz FBHYHQLINDRQSW-SNVBAGLBSA-N -1 3 269.300 3.056 20 0 CGADHM C[C@H](CCc1ccccc1)Oc1cccc(-c2nnn[n-]2)c1 ZINC001231118321 818035751 /nfs/dbraw/zinc/03/57/51/818035751.db2.gz LOYKXOAWSUICLY-CYBMUJFWSA-N -1 3 294.358 3.267 20 0 CGADHM C[C@H](CCc1ccccc1)Oc1cccc(-c2nn[n-]n2)c1 ZINC001231118321 818035753 /nfs/dbraw/zinc/03/57/53/818035753.db2.gz LOYKXOAWSUICLY-CYBMUJFWSA-N -1 3 294.358 3.267 20 0 CGADHM Fc1ccc2c(c1)CC[C@H]2Oc1cccc(-c2nnn[n-]2)c1 ZINC001231121572 818035812 /nfs/dbraw/zinc/03/58/12/818035812.db2.gz MMDOVUFZRBHMKZ-OAHLLOKOSA-N -1 3 296.305 3.072 20 0 CGADHM Fc1ccc2c(c1)CC[C@H]2Oc1cccc(-c2nn[n-]n2)c1 ZINC001231121572 818035816 /nfs/dbraw/zinc/03/58/16/818035816.db2.gz MMDOVUFZRBHMKZ-OAHLLOKOSA-N -1 3 296.305 3.072 20 0 CGADHM CCC[C@@H](C)[C@H](CC)Oc1cccc(-c2nnn[n-]2)c1 ZINC001231122582 818035934 /nfs/dbraw/zinc/03/59/34/818035934.db2.gz VCNYBEKHVDTXMA-RISCZKNCSA-N -1 3 274.368 3.460 20 0 CGADHM CCC[C@@H](C)[C@H](CC)Oc1cccc(-c2nn[n-]n2)c1 ZINC001231122582 818035942 /nfs/dbraw/zinc/03/59/42/818035942.db2.gz VCNYBEKHVDTXMA-RISCZKNCSA-N -1 3 274.368 3.460 20 0 CGADHM CCC[C@@H](Oc1cccc(-c2nnn[n-]2)c1)C(C)(C)C ZINC001231118954 818036301 /nfs/dbraw/zinc/03/63/01/818036301.db2.gz XJLSOEMHIOVOLM-CYBMUJFWSA-N -1 3 274.368 3.460 20 0 CGADHM CCC[C@@H](Oc1cccc(-c2nn[n-]n2)c1)C(C)(C)C ZINC001231118954 818036307 /nfs/dbraw/zinc/03/63/07/818036307.db2.gz XJLSOEMHIOVOLM-CYBMUJFWSA-N -1 3 274.368 3.460 20 0 CGADHM O=C([O-])c1ccc(CN2CC(c3ccccc3)C2)s1 ZINC001231465003 818104923 /nfs/dbraw/zinc/10/49/23/818104923.db2.gz YXVFDLIEBXESLW-UHFFFAOYSA-N -1 3 273.357 3.046 20 0 CGADHM CC(C)c1cc(-c2ccc(Cc3nnn[n-]3)cc2)ccc1O ZINC001243259566 823316078 /nfs/dbraw/zinc/31/60/78/823316078.db2.gz ZOIBFWQUCSJYKD-UHFFFAOYSA-N -1 3 294.358 3.287 20 0 CGADHM CC(C)c1cc(-c2ccc(Cc3nn[n-]n3)cc2)ccc1O ZINC001243259566 823316085 /nfs/dbraw/zinc/31/60/85/823316085.db2.gz ZOIBFWQUCSJYKD-UHFFFAOYSA-N -1 3 294.358 3.287 20 0 CGADHM Cc1ccc([O-])c(CN(C)[C@H](C2CCC2)C(F)(F)F)n1 ZINC001231674505 818157017 /nfs/dbraw/zinc/15/70/17/818157017.db2.gz XFPHKCWGYLTTBO-CYBMUJFWSA-N -1 3 288.313 3.258 20 0 CGADHM [O-]c1cc(CN2CC[C@]3(CC3(F)F)C2)ccc1Cl ZINC001231733669 818161781 /nfs/dbraw/zinc/16/17/81/818161781.db2.gz CDDKKOPQLFRABP-LBPRGKRZSA-N -1 3 273.710 3.277 20 0 CGADHM Nc1ccc(F)c(-c2cc(C(F)(F)F)[n-]c(=S)n2)c1 ZINC001243280696 823323190 /nfs/dbraw/zinc/32/31/90/823323190.db2.gz GVSVBKFUTQZPMY-UHFFFAOYSA-N -1 3 289.257 3.172 20 0 CGADHM C[C@H]1CCCCN(Cc2cc([O-])c(F)c(F)c2)C1 ZINC001232970799 818488959 /nfs/dbraw/zinc/48/89/59/818488959.db2.gz NMJLLHWPDUSQPZ-JTQLQIEISA-N -1 3 255.308 3.292 20 0 CGADHM CN(CCc1ccccc1F)Cc1cc([O-])c(F)c(F)c1 ZINC001232973621 818489858 /nfs/dbraw/zinc/48/98/58/818489858.db2.gz GWSOLWOPVKWZFK-UHFFFAOYSA-N -1 3 295.304 3.484 20 0 CGADHM [O-]c1cnc(Cl)cc1CN1CCC12CCCCC2 ZINC001233032006 818505326 /nfs/dbraw/zinc/50/53/26/818505326.db2.gz BWOQONYMRZIUQN-UHFFFAOYSA-N -1 3 266.772 3.349 20 0 CGADHM [O-]c1cccc(CN2CCCC[C@@H]2C(F)(F)F)c1F ZINC001233053496 818512099 /nfs/dbraw/zinc/51/20/99/818512099.db2.gz QJEOGHMSKQUMOE-LLVKDONJSA-N -1 3 277.261 3.448 20 0 CGADHM OCc1ccc2c(c1)CCN(Cc1ccc([S-])cc1)C2 ZINC001233259404 818558866 /nfs/dbraw/zinc/55/88/66/818558866.db2.gz QTXNLLQKFVFDAC-UHFFFAOYSA-N -1 3 285.412 3.026 20 0 CGADHM [O-]c1ccc(F)c(CN2CC[C@@H]3CCC[C@H]3C2)c1F ZINC001233393863 818608706 /nfs/dbraw/zinc/60/87/06/818608706.db2.gz PFYKGTCMRBHHSW-QWRGUYRKSA-N -1 3 267.319 3.292 20 0 CGADHM [O-]c1ccc(F)c(CN2CC[C@H](c3ccncc3)C2)c1F ZINC001233395578 818611381 /nfs/dbraw/zinc/61/13/81/818611381.db2.gz DGOOVRBKFASOEP-LBPRGKRZSA-N -1 3 290.313 3.055 20 0 CGADHM CC(C)[C@@H](Oc1ccc2occ([O-])c2c1)C(F)(F)F ZINC001233678507 818678760 /nfs/dbraw/zinc/67/87/60/818678760.db2.gz USKOTKUSBCIUOT-GFCCVEGCSA-N -1 3 274.238 3.227 20 0 CGADHM C[C@@H]1CCC[C@H](Oc2ccc3occ([O-])c3c2)[C@H]1C ZINC001233681031 818678808 /nfs/dbraw/zinc/67/88/08/818678808.db2.gz PYGBWWGPCXINLN-ZETOZRRWSA-N -1 3 260.333 3.465 20 0 CGADHM COc1ccccc1[C@H](C)Oc1ccc2occ([O-])c2c1 ZINC001233678134 818679042 /nfs/dbraw/zinc/67/90/42/818679042.db2.gz SWMWFEPVTYKAJH-NSHDSACASA-N -1 3 284.311 3.410 20 0 CGADHM CC/C=C\CCOC(=O)[C@H](C)Oc1cccc([O-])c1F ZINC001233870399 818720293 /nfs/dbraw/zinc/72/02/93/818720293.db2.gz CFBIREFWIJOPMV-WYGGZMRJSA-N -1 3 282.311 3.198 20 0 CGADHM CC/C=C\CCOC(=O)[C@@H](C)Oc1cccc([O-])c1F ZINC001233870395 818720303 /nfs/dbraw/zinc/72/03/03/818720303.db2.gz CFBIREFWIJOPMV-DOGVGXBMSA-N -1 3 282.311 3.198 20 0 CGADHM CC(C)Oc1ccc(COc2cccc([O-])c2F)cn1 ZINC001233871449 818722306 /nfs/dbraw/zinc/72/23/06/818722306.db2.gz OHVQQLCBOYLLQZ-UHFFFAOYSA-N -1 3 277.295 3.293 20 0 CGADHM NC(=O)c1c([O-])cccc1O[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC001234148692 818792102 /nfs/dbraw/zinc/79/21/02/818792102.db2.gz JEKWCJUKCALKQV-FRRDWIJNSA-N -1 3 289.375 3.229 20 0 CGADHM C[C@H](Oc1cccc([O-])c1C(N)=O)c1cccc(Cl)c1 ZINC001234148068 818792403 /nfs/dbraw/zinc/79/24/03/818792403.db2.gz CMXJTCSDNAPMRH-VIFPVBQESA-N -1 3 291.734 3.285 20 0 CGADHM CO[C@H](C)CO[C@H](C)COc1c(Cl)ccc([O-])c1F ZINC001234262422 818819591 /nfs/dbraw/zinc/81/95/91/818819591.db2.gz ATBRJKRXPWUOOC-RKDXNWHRSA-N -1 3 292.734 3.004 20 0 CGADHM CCC(=O)[C@H](CC)Oc1c(Cl)ccc([O-])c1F ZINC001234264860 818820882 /nfs/dbraw/zinc/82/08/82/818820882.db2.gz TVUYEJUNDSWUBY-JTQLQIEISA-N -1 3 260.692 3.321 20 0 CGADHM C[C@H](Oc1c([O-])cc(Cl)cc1F)C1CCOCC1 ZINC001234445629 818856101 /nfs/dbraw/zinc/85/61/01/818856101.db2.gz AHGUQGBGADUXMB-QMMMGPOBSA-N -1 3 274.719 3.379 20 0 CGADHM c1cc2nc(OC[C@@H]3CC[C@]4(CCCCO4)O3)[n-]c2s1 ZINC001234847003 818931355 /nfs/dbraw/zinc/93/13/55/818931355.db2.gz GMIQXTFGZCPEDF-HZMBPMFUSA-N -1 3 294.376 3.079 20 0 CGADHM c1cc2[n-]c(OC[C@@H]3CC[C@]4(CCCCO4)O3)nc2s1 ZINC001234847003 818931361 /nfs/dbraw/zinc/93/13/61/818931361.db2.gz GMIQXTFGZCPEDF-HZMBPMFUSA-N -1 3 294.376 3.079 20 0 CGADHM CC(C)Oc1ncccc1COc1nc2ccsc2[n-]1 ZINC001234848454 818931931 /nfs/dbraw/zinc/93/19/31/818931931.db2.gz PSRGIDNKXIOWSG-UHFFFAOYSA-N -1 3 289.360 3.386 20 0 CGADHM CC(C)Oc1ncccc1COc1nc2sccc2[n-]1 ZINC001234848454 818931939 /nfs/dbraw/zinc/93/19/39/818931939.db2.gz PSRGIDNKXIOWSG-UHFFFAOYSA-N -1 3 289.360 3.386 20 0 CGADHM [O-]c1cc(Cl)cc(-c2cncc(N3CCCCC3)n2)c1 ZINC001235898690 819207810 /nfs/dbraw/zinc/20/78/10/819207810.db2.gz LSDDIEFAAOWRML-UHFFFAOYSA-N -1 3 289.766 3.493 20 0 CGADHM COC(=O)c1cnc(-c2cc([O-])cc(Cl)c2)c(C)c1 ZINC001235899100 819209323 /nfs/dbraw/zinc/20/93/23/819209323.db2.gz DIMGHXNYNXEBNC-UHFFFAOYSA-N -1 3 277.707 3.203 20 0 CGADHM Cc1ccc(F)c(-c2cnn(-c3ccccc3)c(=O)c2)c1[O-] ZINC001236415526 819460836 /nfs/dbraw/zinc/46/08/36/819460836.db2.gz PZTDKYBXCGBTRA-UHFFFAOYSA-N -1 3 296.301 3.053 20 0 CGADHM [O-]c1cc(CN2CCC[C@H]2c2ccccn2)ccc1F ZINC001236706249 819576321 /nfs/dbraw/zinc/57/63/21/819576321.db2.gz VIKFBWRIXHRBAH-HNNXBMFYSA-N -1 3 272.323 3.263 20 0 CGADHM C[C@@]1(CF)CC(F)(F)CN1Cc1ccc(F)c([O-])c1 ZINC001236702746 819576457 /nfs/dbraw/zinc/57/64/57/819576457.db2.gz LMQRAJCPEREZKT-LBPRGKRZSA-N -1 3 277.261 3.101 20 0 CGADHM [O-]c1cc(CN2CCC[C@H]2c2nccs2)ccc1F ZINC001236710084 819579446 /nfs/dbraw/zinc/57/94/46/819579446.db2.gz JAPUFABGZXPIIM-LBPRGKRZSA-N -1 3 278.352 3.325 20 0 CGADHM C[C@H]1C(=O)CCN(Cc2ccc(F)c([O-])c2)C12CCCC2 ZINC001236714075 819580000 /nfs/dbraw/zinc/58/00/00/819580000.db2.gz QUTQDWAQJHJDTA-LBPRGKRZSA-N -1 3 291.366 3.255 20 0 CGADHM Nc1ccc2cc(-c3cc(F)cc(F)c3[O-])ccc2n1 ZINC001243506083 823424163 /nfs/dbraw/zinc/42/41/63/823424163.db2.gz PEXIGWJXMXJUCP-UHFFFAOYSA-N -1 3 272.254 3.468 20 0 CGADHM CC(C)(C)NC(=O)c1ccc(-c2cccc([O-])c2F)nc1 ZINC001243543598 823436619 /nfs/dbraw/zinc/43/66/19/823436619.db2.gz UNFSTMPZQLGHHY-UHFFFAOYSA-N -1 3 288.322 3.122 20 0 CGADHM [O-]c1c(F)cc(CN2C[C@H]3CCC[C@@H]3C2)cc1Cl ZINC001237991376 819905708 /nfs/dbraw/zinc/90/57/08/819905708.db2.gz ZFTLUTRUQZEDOQ-GHMZBOCLSA-N -1 3 269.747 3.417 20 0 CGADHM CC[C@@H]1CCN(Cc2cc(F)c([O-])c(Cl)c2)C1 ZINC001237996091 819905980 /nfs/dbraw/zinc/90/59/80/819905980.db2.gz VSPFFPUYTUONHL-SECBINFHSA-N -1 3 257.736 3.417 20 0 CGADHM COc1nnc(-c2cccc([O-])c2F)c2ccccc21 ZINC001243544594 823437283 /nfs/dbraw/zinc/43/72/83/823437283.db2.gz SBUSHHWFOIAREX-UHFFFAOYSA-N -1 3 270.263 3.150 20 0 CGADHM COc1nnc(-c2cccc([O-])c2F)cc1C(F)(F)F ZINC001243545741 823437985 /nfs/dbraw/zinc/43/79/85/823437985.db2.gz FGQCIQXFUFCJLQ-UHFFFAOYSA-N -1 3 288.200 3.016 20 0 CGADHM Nc1ccc2cccc(-c3cccc([O-])c3F)c2n1 ZINC001243545837 823438330 /nfs/dbraw/zinc/43/83/30/823438330.db2.gz PXZMRIFPTDXTSI-UHFFFAOYSA-N -1 3 254.264 3.329 20 0 CGADHM COC(=O)c1ccc(C)cc1-c1cccc([O-])c1F ZINC001243545120 823438417 /nfs/dbraw/zinc/43/84/17/823438417.db2.gz SGTAWEZNIKOFEZ-UHFFFAOYSA-N -1 3 260.264 3.293 20 0 CGADHM O=C1NCCC[C@@H]1c1ccc(-c2cccc([O-])c2F)cc1 ZINC001243546021 823438635 /nfs/dbraw/zinc/43/86/35/823438635.db2.gz KDCBELQFUIXNRD-CQSZACIVSA-N -1 3 285.318 3.192 20 0 CGADHM COC(=O)c1cc(-c2cccc([O-])c2F)cc2cc[nH]c21 ZINC001243546041 823439199 /nfs/dbraw/zinc/43/91/99/823439199.db2.gz FTDJDBWASXFQGD-UHFFFAOYSA-N -1 3 285.274 3.466 20 0 CGADHM CN1CCOc2ccc(-c3cccc([O-])c3F)cc21 ZINC001243549313 823441018 /nfs/dbraw/zinc/44/10/18/823441018.db2.gz WJDCYIKXUSNPBU-UHFFFAOYSA-N -1 3 259.280 3.027 20 0 CGADHM c1cc(-c2nnn[n-]2)cc(-c2ccc(C3CC3)cc2)c1 ZINC001238830676 820129106 /nfs/dbraw/zinc/12/91/06/820129106.db2.gz DAKMZKISJPYNNV-UHFFFAOYSA-N -1 3 262.316 3.411 20 0 CGADHM c1cc(-c2nn[n-]n2)cc(-c2ccc(C3CC3)cc2)c1 ZINC001238830676 820129110 /nfs/dbraw/zinc/12/91/10/820129110.db2.gz DAKMZKISJPYNNV-UHFFFAOYSA-N -1 3 262.316 3.411 20 0 CGADHM COc1cccc(-c2ccc(C)c(-c3nnn[n-]3)c2)c1C ZINC001238993766 820186606 /nfs/dbraw/zinc/18/66/06/820186606.db2.gz CDRUCMMQUFCYLL-UHFFFAOYSA-N -1 3 280.331 3.159 20 0 CGADHM COc1cccc(-c2ccc(C)c(-c3nn[n-]n3)c2)c1C ZINC001238993766 820186607 /nfs/dbraw/zinc/18/66/07/820186607.db2.gz CDRUCMMQUFCYLL-UHFFFAOYSA-N -1 3 280.331 3.159 20 0 CGADHM [O-]c1cc(C(F)(F)F)ccc1-c1cncc2nnoc21 ZINC001243612815 823467250 /nfs/dbraw/zinc/46/72/50/823467250.db2.gz YLHFYLZKYDPICI-UHFFFAOYSA-N -1 3 281.193 3.009 20 0 CGADHM COC(=O)c1nc2nc(-c3ccc(SC)cc3)ccc2[n-]1 ZINC001239499728 820349779 /nfs/dbraw/zinc/34/97/79/820349779.db2.gz WRBHNOAWZFCZGA-UHFFFAOYSA-N -1 3 299.355 3.085 20 0 CGADHM COC(=O)c1nc2ccc(-c3ccc(SC)cc3)nc2[n-]1 ZINC001239499728 820349788 /nfs/dbraw/zinc/34/97/88/820349788.db2.gz WRBHNOAWZFCZGA-UHFFFAOYSA-N -1 3 299.355 3.085 20 0 CGADHM COC(=O)c1nc2ccc(-c3ccc(SC)cc3)[n-]c-2n1 ZINC001239499728 820349799 /nfs/dbraw/zinc/34/97/99/820349799.db2.gz WRBHNOAWZFCZGA-UHFFFAOYSA-N -1 3 299.355 3.085 20 0 CGADHM CC(C)c1ccc(-c2cncc(-c3nnn[n-]3)c2)cc1 ZINC001239625771 820472031 /nfs/dbraw/zinc/47/20/31/820472031.db2.gz JQLQTLJMQZCCLK-UHFFFAOYSA-N -1 3 265.320 3.052 20 0 CGADHM CC(C)c1ccc(-c2cncc(-c3nn[n-]n3)c2)cc1 ZINC001239625771 820472038 /nfs/dbraw/zinc/47/20/38/820472038.db2.gz JQLQTLJMQZCCLK-UHFFFAOYSA-N -1 3 265.320 3.052 20 0 CGADHM Cc1cccc(-c2ccccc2-c2nnn[n-]2)c1C ZINC001239715535 820541982 /nfs/dbraw/zinc/54/19/82/820541982.db2.gz ULTKDCJJELYMGB-UHFFFAOYSA-N -1 3 250.305 3.151 20 0 CGADHM Cc1cccc(-c2ccccc2-c2nn[n-]n2)c1C ZINC001239715535 820541987 /nfs/dbraw/zinc/54/19/87/820541987.db2.gz ULTKDCJJELYMGB-UHFFFAOYSA-N -1 3 250.305 3.151 20 0 CGADHM c1ccc2ncc(-c3cccc(-c4nnn[n-]4)c3)cc2c1 ZINC001239795004 820610770 /nfs/dbraw/zinc/61/07/70/820610770.db2.gz BUOZYSHXLLGMCD-UHFFFAOYSA-N -1 3 273.299 3.082 20 0 CGADHM c1ccc2ncc(-c3cccc(-c4nn[n-]n4)c3)cc2c1 ZINC001239795004 820610778 /nfs/dbraw/zinc/61/07/78/820610778.db2.gz BUOZYSHXLLGMCD-UHFFFAOYSA-N -1 3 273.299 3.082 20 0 CGADHM Fc1ccc(-c2cnc3ccccc3c2)cc1-c1nnn[n-]1 ZINC001239795155 820611048 /nfs/dbraw/zinc/61/10/48/820611048.db2.gz KOMCSKXBPJNOJG-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Fc1ccc(-c2cnc3ccccc3c2)cc1-c1nn[n-]n1 ZINC001239795155 820611054 /nfs/dbraw/zinc/61/10/54/820611054.db2.gz KOMCSKXBPJNOJG-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM c1ccc2ncc(-c3ccc(Cc4nnn[n-]4)cc3)cc2c1 ZINC001239796775 820611875 /nfs/dbraw/zinc/61/18/75/820611875.db2.gz QOFJDYMHQUQCBE-UHFFFAOYSA-N -1 3 287.326 3.006 20 0 CGADHM c1ccc2ncc(-c3ccc(Cc4nn[n-]n4)cc3)cc2c1 ZINC001239796775 820611879 /nfs/dbraw/zinc/61/18/79/820611879.db2.gz QOFJDYMHQUQCBE-UHFFFAOYSA-N -1 3 287.326 3.006 20 0 CGADHM CN(C)C(=O)Sc1ccc(-c2ccc([O-])c(F)c2)nc1 ZINC001240785802 821324584 /nfs/dbraw/zinc/32/45/84/821324584.db2.gz FHZFXJWNVNPRBW-UHFFFAOYSA-N -1 3 292.335 3.367 20 0 CGADHM COC(=O)c1c(C)cc(F)cc1-c1ccc([O-])c(F)c1 ZINC001240786599 821326472 /nfs/dbraw/zinc/32/64/72/821326472.db2.gz PTWOXSKSGJCTEV-UHFFFAOYSA-N -1 3 278.254 3.432 20 0 CGADHM C=CC(=O)Oc1ccc(-c2ccc([O-])c(F)c2)cc1 ZINC001240788104 821330845 /nfs/dbraw/zinc/33/08/45/821330845.db2.gz BTBUAPZHTIABEB-UHFFFAOYSA-N -1 3 258.248 3.290 20 0 CGADHM COc1nc2ccccc2nc1-c1ccccc1[O-] ZINC001241001627 821480957 /nfs/dbraw/zinc/48/09/57/821480957.db2.gz CQCIALVTIVYHIY-UHFFFAOYSA-N -1 3 252.273 3.011 20 0 CGADHM [O-]c1ccccc1-c1cc(OCC(F)(F)F)ccn1 ZINC001241003190 821481673 /nfs/dbraw/zinc/48/16/73/821481673.db2.gz KMIBOFPXLBETCT-UHFFFAOYSA-N -1 3 269.222 3.395 20 0 CGADHM [O-]c1ccccc1-c1nc(-c2ccncc2)nc2c1CCC2 ZINC001241007878 821484720 /nfs/dbraw/zinc/48/47/20/821484720.db2.gz BHXWOVYSHJKCMO-UHFFFAOYSA-N -1 3 289.338 3.400 20 0 CGADHM CN(C)C(=O)Sc1ccc(-c2ccccc2[O-])nc1 ZINC001241009390 821487187 /nfs/dbraw/zinc/48/71/87/821487187.db2.gz YALASUNFQCLISA-UHFFFAOYSA-N -1 3 274.345 3.228 20 0 CGADHM Cc1noc(-c2cccnc2-c2ccc(C)cc2[O-])n1 ZINC001241035946 821511338 /nfs/dbraw/zinc/51/13/38/821511338.db2.gz KWVRKCUDPFXEIO-UHFFFAOYSA-N -1 3 267.288 3.121 20 0 CGADHM COc1ccc(-c2ccc(=S)[n-]n2)cc1C(F)(F)F ZINC001241090033 821552519 /nfs/dbraw/zinc/55/25/19/821552519.db2.gz PSEVWYMKCVSTGW-UHFFFAOYSA-N -1 3 286.278 3.460 20 0 CGADHM [O-]c1cc(F)cc(-c2cc(C(F)(F)F)[nH]c(=S)n2)c1 ZINC001241262516 821682575 /nfs/dbraw/zinc/68/25/75/821682575.db2.gz NACSYMRIZIKSEW-UHFFFAOYSA-N -1 3 290.241 3.296 20 0 CGADHM COC(=O)c1cccc(-c2cc([O-])cc(F)c2)c1C ZINC001241266087 821685676 /nfs/dbraw/zinc/68/56/76/821685676.db2.gz CYYBNPYPZVNTSM-UHFFFAOYSA-N -1 3 260.264 3.293 20 0 CGADHM CCOc1ccc(-c2cc(F)cc(-c3nnn[n-]3)c2)c(C)c1 ZINC001241273530 821692250 /nfs/dbraw/zinc/69/22/50/821692250.db2.gz RCUYDPPCFKDJHY-UHFFFAOYSA-N -1 3 298.321 3.380 20 0 CGADHM CCOc1ccc(-c2cc(F)cc(-c3nn[n-]n3)c2)c(C)c1 ZINC001241273530 821692251 /nfs/dbraw/zinc/69/22/51/821692251.db2.gz RCUYDPPCFKDJHY-UHFFFAOYSA-N -1 3 298.321 3.380 20 0 CGADHM CCN(CC)C(=O)c1ccc(-c2cc([O-])cc(F)c2)cn1 ZINC001241278045 821696950 /nfs/dbraw/zinc/69/69/50/821696950.db2.gz UUSOHIMVWWWELF-UHFFFAOYSA-N -1 3 288.322 3.075 20 0 CGADHM CN1Cc2ccc(-c3cc([O-])cc(F)c3)cc2NC1=O ZINC001241280711 821699448 /nfs/dbraw/zinc/69/94/48/821699448.db2.gz SLJQZTJECARIRP-UHFFFAOYSA-N -1 3 272.279 3.176 20 0 CGADHM CCOc1cc(F)ccc1-c1cccc(-c2nnn[n-]2)c1 ZINC001241320661 821730763 /nfs/dbraw/zinc/73/07/63/821730763.db2.gz JPBWFDUTTGRQNA-UHFFFAOYSA-N -1 3 284.294 3.072 20 0 CGADHM CCOc1cc(F)ccc1-c1cccc(-c2nn[n-]n2)c1 ZINC001241320661 821730769 /nfs/dbraw/zinc/73/07/69/821730769.db2.gz JPBWFDUTTGRQNA-UHFFFAOYSA-N -1 3 284.294 3.072 20 0 CGADHM Fc1cc(-c2nnn[n-]2)cc(-c2cc(Cl)ccc2F)c1 ZINC001241331496 821737561 /nfs/dbraw/zinc/73/75/61/821737561.db2.gz ARZFSOPKMOWOMU-UHFFFAOYSA-N -1 3 292.676 3.465 20 0 CGADHM Fc1cc(-c2nn[n-]n2)cc(-c2cc(Cl)ccc2F)c1 ZINC001241331496 821737564 /nfs/dbraw/zinc/73/75/64/821737564.db2.gz ARZFSOPKMOWOMU-UHFFFAOYSA-N -1 3 292.676 3.465 20 0 CGADHM CN(C)Cc1cncc(-c2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC001241350203 821752848 /nfs/dbraw/zinc/75/28/48/821752848.db2.gz LKADLTDLHSNFIY-UHFFFAOYSA-N -1 3 290.750 3.162 20 0 CGADHM Fc1cc2ccncc2cc1-c1ccc(-c2nnn[n-]2)cc1 ZINC001241445510 821841880 /nfs/dbraw/zinc/84/18/80/821841880.db2.gz PWRJYLBAXSRAKW-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Fc1cc2ccncc2cc1-c1ccc(-c2nn[n-]n2)cc1 ZINC001241445510 821841890 /nfs/dbraw/zinc/84/18/90/821841890.db2.gz PWRJYLBAXSRAKW-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Cc1ccc2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc2n1 ZINC001241444976 821842028 /nfs/dbraw/zinc/84/20/28/821842028.db2.gz GQNCVFOBWTYNRG-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM Cc1ccc2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc2n1 ZINC001241444976 821842039 /nfs/dbraw/zinc/84/20/39/821842039.db2.gz GQNCVFOBWTYNRG-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM S=C1Cc2ccc(-c3ccc4c(c3)OCCN4)cc2[N-]1 ZINC001241461134 821859808 /nfs/dbraw/zinc/85/98/08/821859808.db2.gz KJKHYNPGRCJHAY-UHFFFAOYSA-N -1 3 282.368 3.453 20 0 CGADHM OCc1ccc(-c2ccc3c(c2)[N-]C(=S)C3)cc1 ZINC001241559098 821947138 /nfs/dbraw/zinc/94/71/38/821947138.db2.gz VQUNKCVCOLPRFP-UHFFFAOYSA-N -1 3 255.342 3.141 20 0 CGADHM CCNC(=O)c1ccc(-c2ccc3c(c2)[N-]C(=S)C3)cc1 ZINC001241617899 821996025 /nfs/dbraw/zinc/99/60/25/821996025.db2.gz MQVWFAKLBSFGJL-UHFFFAOYSA-N -1 3 296.395 3.399 20 0 CGADHM Fc1ccc(-c2cncc(-c3nnn[n-]3)c2)c2ccccc12 ZINC001241901756 822203528 /nfs/dbraw/zinc/20/35/28/822203528.db2.gz JDEGTPONDWEQSB-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Fc1ccc(-c2cncc(-c3nn[n-]n3)c2)c2ccccc12 ZINC001241901756 822203534 /nfs/dbraw/zinc/20/35/34/822203534.db2.gz JDEGTPONDWEQSB-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM NC(=O)c1cc(-c2ccc([O-])c(C(F)(F)F)c2)ccc1F ZINC001242162349 822900535 /nfs/dbraw/zinc/90/05/35/822900535.db2.gz LVQAXTVERRIGCI-UHFFFAOYSA-N -1 3 299.223 3.316 20 0 CGADHM Cc1cc(C(N)=O)ccc1-c1ccc([O-])c(C(F)(F)F)c1 ZINC001242165476 822900959 /nfs/dbraw/zinc/90/09/59/822900959.db2.gz DGQJGBIITMFEIY-UHFFFAOYSA-N -1 3 295.260 3.485 20 0 CGADHM Cc1c(F)cc(C(=O)[O-])cc1-c1cncc2cc[nH]c21 ZINC001242211048 822911760 /nfs/dbraw/zinc/91/17/60/822911760.db2.gz QJSVKBRAOUZLCK-UHFFFAOYSA-N -1 3 270.263 3.376 20 0 CGADHM COC(=O)CCc1ccc(-c2ccc(F)cc2[O-])cc1 ZINC001242217291 822914196 /nfs/dbraw/zinc/91/41/96/822914196.db2.gz NDXHWMAHHKJNLY-UHFFFAOYSA-N -1 3 274.291 3.304 20 0 CGADHM CC(=O)N1CCCc2ccc(-c3ccc(F)cc3[O-])cc21 ZINC001242217714 822915150 /nfs/dbraw/zinc/91/51/50/822915150.db2.gz KBKQATUVKFUBBX-UHFFFAOYSA-N -1 3 285.318 3.497 20 0 CGADHM COC(=O)c1cc2cc[nH]c2c(-c2ccc(F)cc2[O-])c1 ZINC001242218594 822915522 /nfs/dbraw/zinc/91/55/22/822915522.db2.gz GQFRFYVZPMQAMM-UHFFFAOYSA-N -1 3 285.274 3.466 20 0 CGADHM O=C(c1cccc(-c2ccc(F)cc2[O-])c1)N1CCCC1 ZINC001242218574 822915733 /nfs/dbraw/zinc/91/57/33/822915733.db2.gz FWDWSJQXEOYYKR-UHFFFAOYSA-N -1 3 285.318 3.434 20 0 CGADHM Cc1cc(-c2ccc(F)cc2[O-])cc2c1NC(=O)CC2 ZINC001242219236 822915883 /nfs/dbraw/zinc/91/58/83/822915883.db2.gz OMHXOENFLXJNHS-UHFFFAOYSA-N -1 3 271.291 3.391 20 0 CGADHM COC(OC)c1ccc(-c2ccc(F)cc2[O-])cc1 ZINC001242219543 822916301 /nfs/dbraw/zinc/91/63/01/822916301.db2.gz KABZCFWKSVUOSW-UHFFFAOYSA-N -1 3 262.280 3.490 20 0 CGADHM O=C1CC[C@@H](c2ccc(-c3ccc(F)cc3[O-])cc2)N1 ZINC001242220986 822916747 /nfs/dbraw/zinc/91/67/47/822916747.db2.gz FYJZCWSYLCMIPJ-AWEZNQCLSA-N -1 3 271.291 3.149 20 0 CGADHM Cc1c(F)cc(-c2ccc(-c3nnn[n-]3)c(F)c2)cc1F ZINC001242288426 822940140 /nfs/dbraw/zinc/94/01/40/822940140.db2.gz IOYJIWOFWRCNIA-UHFFFAOYSA-N -1 3 290.248 3.259 20 0 CGADHM Cc1c(F)cc(-c2ccc(-c3nn[n-]n3)c(F)c2)cc1F ZINC001242288426 822940141 /nfs/dbraw/zinc/94/01/41/822940141.db2.gz IOYJIWOFWRCNIA-UHFFFAOYSA-N -1 3 290.248 3.259 20 0 CGADHM COC(=O)c1ccc(-c2cccc(F)c2[O-])cc1C ZINC001242351576 822961927 /nfs/dbraw/zinc/96/19/27/822961927.db2.gz WZQQGSOPEGHILL-UHFFFAOYSA-N -1 3 260.264 3.293 20 0 CGADHM O=C(Cc1ccc(C2CCC2)cc1)[N-]OC1CCC1 ZINC001347651192 936891301 /nfs/dbraw/zinc/89/13/01/936891301.db2.gz PCWCYMFFWICNHF-UHFFFAOYSA-N -1 3 259.349 3.097 20 0 CGADHM CC(=O)c1cccc(NC(=O)CC(C2CC2)C2CC2)c1[O-] ZINC001347708663 936893265 /nfs/dbraw/zinc/89/32/65/936893265.db2.gz DUNQARHXRQEPMW-UHFFFAOYSA-N -1 3 287.359 3.360 20 0 CGADHM CSc1ccc([O-])c(C(=O)NC2CC3(CC3(F)F)C2)c1 ZINC001351226154 937012110 /nfs/dbraw/zinc/01/21/10/937012110.db2.gz CKMRAJQYHKISQF-UHFFFAOYSA-N -1 3 299.342 3.032 20 0 CGADHM Cc1ccc(C(=O)Nc2ccccc2-c2ncc[nH]2)c([O-])c1 ZINC000091989406 926738936 /nfs/dbraw/zinc/73/89/36/926738936.db2.gz PJTFSDZEAODZFR-UHFFFAOYSA-N -1 3 293.326 3.343 20 0 CGADHM COc1ccccc1CN(CCC(=O)[O-])Cc1ccccc1 ZINC000692414868 926807038 /nfs/dbraw/zinc/80/70/38/926807038.db2.gz NIOMFPFNWQJQEB-UHFFFAOYSA-N -1 3 299.370 3.172 20 0 CGADHM CCCCCN(C(=O)c1cc2c(cc1[O-])OCO2)C(C)C ZINC000436559844 927447487 /nfs/dbraw/zinc/44/74/87/927447487.db2.gz BYGHEBIIUUFLPX-UHFFFAOYSA-N -1 3 293.363 3.162 20 0 CGADHM [O-]c1ccc(CN2C[C@H]3CCCC[C@H]32)c(F)c1F ZINC001560918868 937238735 /nfs/dbraw/zinc/23/87/35/937238735.db2.gz KNROAZJWURSWMV-MWLCHTKSSA-N -1 3 253.292 3.045 20 0 CGADHM CCCC1(CNC(=O)c2ccc(CC)cc2[O-])CC1 ZINC001545688809 928590966 /nfs/dbraw/zinc/59/09/66/928590966.db2.gz LFOGZNDDPMKRIZ-UHFFFAOYSA-N -1 3 261.365 3.265 20 0 CGADHM CC(=O)c1csc(C(=O)[N-]c2cc(C(C)(C)F)on2)c1 ZINC001440292304 937328486 /nfs/dbraw/zinc/32/84/86/937328486.db2.gz MDLFVNXHHCWERN-UHFFFAOYSA-N -1 3 296.323 3.396 20 0 CGADHM C[C@H](CC(=O)Nc1cccc([O-])c1F)c1ccco1 ZINC001446243429 937362767 /nfs/dbraw/zinc/36/27/67/937362767.db2.gz YNZQUHXPVSFBHP-SECBINFHSA-N -1 3 263.268 3.257 20 0 CGADHM O=Cc1c[nH]c2ccc(C(=O)Nc3ccc([O-])cc3F)cc12 ZINC001446669686 937364035 /nfs/dbraw/zinc/36/40/35/937364035.db2.gz QVSYBWDYLASOQL-UHFFFAOYSA-N -1 3 298.273 3.077 20 0 CGADHM CCn1ccc(C(=O)Nc2cc(Cl)ccc2[O-])c1C ZINC001546000679 937371001 /nfs/dbraw/zinc/37/10/01/937371001.db2.gz XYTLPDQGDZQJOA-UHFFFAOYSA-N -1 3 278.739 3.428 20 0 CGADHM CSc1cncc(NC(=O)c2cccc(C)c2[O-])c1 ZINC001451781185 937392406 /nfs/dbraw/zinc/39/24/06/937392406.db2.gz VISCTGCMGJYXNG-UHFFFAOYSA-N -1 3 274.345 3.070 20 0 CGADHM CCc1cccc(C(=O)Nc2cc(O)ccc2C)c1[O-] ZINC001454709551 937411443 /nfs/dbraw/zinc/41/14/43/937411443.db2.gz AFJWGZAZHSHEJP-UHFFFAOYSA-N -1 3 271.316 3.221 20 0 CGADHM Cc1noc([N-]C(=O)c2scnc2C(F)(F)F)c1C ZINC001456808991 937435111 /nfs/dbraw/zinc/43/51/11/937435111.db2.gz FSTDKPOFQGOJRY-UHFFFAOYSA-N -1 3 291.254 3.019 20 0 CGADHM C[C@@H](Cc1cccs1)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC000315006561 932029396 /nfs/dbraw/zinc/02/93/96/932029396.db2.gz RUMYSJFFAOXMML-IUCAKERBSA-N -1 3 296.417 3.185 20 0 CGADHM C[C@@H](Oc1cccc([O-])c1Br)C(F)(F)F ZINC001229140067 932102919 /nfs/dbraw/zinc/10/29/19/932102919.db2.gz SUIAQQSYWQGTML-RXMQYKEDSA-N -1 3 285.059 3.484 20 0 CGADHM Cc1csc2[n-]c(=S)nc(OC[C@@H]3CCO[C@@H]3C)c12 ZINC001229351727 932137253 /nfs/dbraw/zinc/13/72/53/932137253.db2.gz KJSLAPIYXXBUBB-BDAKNGLRSA-N -1 3 296.417 3.092 20 0 CGADHM S=c1nc(O[C@@H]2C[C@H]3C[C@H]3C2)c2ccsc2[n-]1 ZINC001229568936 932172508 /nfs/dbraw/zinc/17/25/08/932172508.db2.gz HTULATGRCOXVJC-RNLVFQAGSA-N -1 3 264.375 3.157 20 0 CGADHM S=c1nc(O[C@@H]2C[C@H]3C=C[C@@H]2C3)c2ccsc2[n-]1 ZINC001229570996 932173906 /nfs/dbraw/zinc/17/39/06/932173906.db2.gz XRJCIVOXLFUNBM-QXFUBDJGSA-N -1 3 276.386 3.323 20 0 CGADHM Cc1nc(O[C@H](C)c2ccccc2F)c(C)c(=O)[n-]1 ZINC001229684440 932188525 /nfs/dbraw/zinc/18/85/25/932188525.db2.gz AUQJBDGFBNVPGQ-SECBINFHSA-N -1 3 262.284 3.078 20 0 CGADHM Cc1cccc2c1CCC[C@H]2[N-]C(=O)C(F)(F)C(F)F ZINC001461796548 937597580 /nfs/dbraw/zinc/59/75/80/937597580.db2.gz KMKMFMAIEPLICO-LLVKDONJSA-N -1 3 289.272 3.389 20 0 CGADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)c1ccccc1F ZINC001229953971 932508097 /nfs/dbraw/zinc/50/80/97/932508097.db2.gz GTVFNWWUDSPGDS-SNVBAGLBSA-N -1 3 284.294 3.146 20 0 CGADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)c1ccccc1F ZINC001229953971 932508100 /nfs/dbraw/zinc/50/81/00/932508100.db2.gz GTVFNWWUDSPGDS-SNVBAGLBSA-N -1 3 284.294 3.146 20 0 CGADHM O=c1nc2cccc(Cl)c2c(OC2CC(F)(F)C2)[n-]1 ZINC001230887180 932635998 /nfs/dbraw/zinc/63/59/98/932635998.db2.gz WHUXDIVRUMCJNT-UHFFFAOYSA-N -1 3 286.665 3.165 20 0 CGADHM O=c1nc(OC2CC(F)(F)C2)c(-c2ccccc2)c[n-]1 ZINC001230974413 932651316 /nfs/dbraw/zinc/65/13/16/932651316.db2.gz LWYMVDHAWWOSDS-UHFFFAOYSA-N -1 3 278.258 3.026 20 0 CGADHM c1ccc([C@@H](Oc2ccc(-c3nn[n-]n3)cc2)C2CC2)cc1 ZINC001231074098 932672479 /nfs/dbraw/zinc/67/24/79/932672479.db2.gz KTAMGWQVWWIKGP-MRXNPFEDSA-N -1 3 292.342 3.397 20 0 CGADHM CCC(CC)[C@@H](CC)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001231073761 932673354 /nfs/dbraw/zinc/67/33/54/932673354.db2.gz MUYCFUUMAFBQTO-CQSZACIVSA-N -1 3 274.368 3.460 20 0 CGADHM CN(Cc1ncc(Br)cc1[O-])C1CC(C)(C)C1 ZINC001462328063 937632504 /nfs/dbraw/zinc/63/25/04/937632504.db2.gz QUSOXEWQJRLPNA-UHFFFAOYSA-N -1 3 299.212 3.170 20 0 CGADHM CCCCCC[C@H](CC)C(=O)Nc1ccncc1[O-] ZINC001306522994 932882859 /nfs/dbraw/zinc/88/28/59/932882859.db2.gz XYLNCUDYDQSMLI-LBPRGKRZSA-N -1 3 264.369 3.144 20 0 CGADHM CCCCOc1ccc(C(=O)NC[C@@H]2C[C@H]2CC)c([O-])c1 ZINC001306843189 932889815 /nfs/dbraw/zinc/88/98/15/932889815.db2.gz XNWUFCQIWVPWSA-OLZOCXBDSA-N -1 3 291.391 3.347 20 0 CGADHM C[C@@H](c1ccccc1F)N1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001308049537 933040230 /nfs/dbraw/zinc/04/02/30/933040230.db2.gz AKOLYFRTFIIPSV-JTQLQIEISA-N -1 3 299.349 3.276 20 0 CGADHM CC(C)(C)c1csc(CNCCCC(C)(C)C(=O)[O-])n1 ZINC001329242145 933472640 /nfs/dbraw/zinc/47/26/40/933472640.db2.gz GYXOAIUWLCTHEP-UHFFFAOYSA-N -1 3 298.452 3.421 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])c1ncsc1C1CC1 ZINC001466631791 937710964 /nfs/dbraw/zinc/71/09/64/937710964.db2.gz YDLLTFCNZRRYHZ-UHFFFAOYSA-N -1 3 278.308 3.118 20 0 CGADHM CC(C)(C)O[N-]C(=O)[C@]1(C)CCc2ccccc2C1 ZINC001319688913 933915557 /nfs/dbraw/zinc/91/55/57/933915557.db2.gz NDWXCVRBPCROOA-MRXNPFEDSA-N -1 3 261.365 3.028 20 0 CGADHM CC(=O)c1cccc(NC(=O)C=C(C)c2ccco2)c1[O-] ZINC001468601078 937729962 /nfs/dbraw/zinc/72/99/62/937729962.db2.gz JZJPWJUCZNRHQG-MDZDMXLPSA-N -1 3 285.299 3.230 20 0 CGADHM Cc1ccccc1C1(NC(=O)c2ccccc2[O-])CC1 ZINC001469345347 937738314 /nfs/dbraw/zinc/73/83/14/937738314.db2.gz JPRDKUVNOKTFAF-UHFFFAOYSA-N -1 3 267.328 3.120 20 0 CGADHM Cc1ccc(C(=O)NC[C@H]2CCC[C@H]2C2CC2)c([O-])c1 ZINC001469008114 937734137 /nfs/dbraw/zinc/73/41/37/937734137.db2.gz MFWONKHVLAJSLF-KGLIPLIRSA-N -1 3 273.376 3.257 20 0 CGADHM Cc1cccc(C(=O)Nc2ncccc2OC(C)C)c1[O-] ZINC001320638602 934076562 /nfs/dbraw/zinc/07/65/62/934076562.db2.gz ZLHIVJDJYHEFNS-UHFFFAOYSA-N -1 3 286.331 3.135 20 0 CGADHM O=C([O-])[C@H](CCF)NCc1ccc(F)c(Cl)c1Cl ZINC001326717397 935000852 /nfs/dbraw/zinc/00/08/52/935000852.db2.gz PUHGKBCPUIEYDS-QMMMGPOBSA-N -1 3 298.116 3.035 20 0 CGADHM CS[C@@H]1CC[C@@H](N(C)Cc2ccc(C(=O)[O-])cc2F)C1 ZINC001327341235 935054013 /nfs/dbraw/zinc/05/40/13/935054013.db2.gz NBYCNLYDSRDIPJ-CHWSQXEVSA-N -1 3 297.395 3.240 20 0 CGADHM CCC(F)(F)C(=O)[N-]Cc1cccc(Cl)c1F ZINC001330556212 935295962 /nfs/dbraw/zinc/29/59/62/935295962.db2.gz JKJCILODWARKJG-UHFFFAOYSA-N -1 3 265.662 3.141 20 0 CGADHM O=C([O-])CCCCCCNCc1c(Cl)n[nH]c1C1CC1 ZINC001333938031 936077590 /nfs/dbraw/zinc/07/75/90/936077590.db2.gz GDAYBMRTKYLPKL-UHFFFAOYSA-N -1 3 299.802 3.065 20 0 CGADHM O=C(NCCCC(F)F)c1cc([O-])c2ccccc2c1 ZINC001335146417 936131728 /nfs/dbraw/zinc/13/17/28/936131728.db2.gz MQOQSHXBJWGCSF-UHFFFAOYSA-N -1 3 279.286 3.321 20 0 CGADHM Cc1nocc1C(=O)[N-]c1csnc1-c1ccccc1 ZINC001538513160 938118441 /nfs/dbraw/zinc/11/84/41/938118441.db2.gz QFHSBBTZSWKJCI-UHFFFAOYSA-N -1 3 285.328 3.359 20 0 CGADHM CCCO[N-]C(=O)[C@@H]1C2CCC(CC2)[C@H]1C(F)(F)F ZINC001552166143 938190518 /nfs/dbraw/zinc/19/05/18/938190518.db2.gz ZUUHWPYQOIPEGC-JPPWEJMLSA-N -1 3 279.302 3.059 20 0 CGADHM CC1(C)C[C@]1(C(=O)Nc1ncccc1[O-])c1ccccc1 ZINC001556164327 938202144 /nfs/dbraw/zinc/20/21/44/938202144.db2.gz ZZCYLOQJIVYEMP-QGZVFWFLSA-N -1 3 282.343 3.094 20 0 CGADHM C/C(=C\C(=O)[N-]OCc1cccc(C)n1)c1cccs1 ZINC001557719155 938211445 /nfs/dbraw/zinc/21/14/45/938211445.db2.gz QRKCRNCWFGPMHM-PKNBQFBNSA-N -1 3 288.372 3.103 20 0 CGADHM [O-]c1ccc(CN2CC[C@H](c3ccco3)C2)c(F)c1F ZINC001560697167 938270999 /nfs/dbraw/zinc/27/09/99/938270999.db2.gz OULNFZCYCXLVSR-JTQLQIEISA-N -1 3 279.286 3.253 20 0 CGADHM O=C([O-])c1ccc(CN2CCC[C@]3(CC3(F)F)C2)s1 ZINC001595227571 949320547 /nfs/dbraw/zinc/32/05/47/949320547.db2.gz ZWQIBRKFWLKLJE-LBPRGKRZSA-N -1 3 287.331 3.068 20 0 CGADHM O=C([O-])c1cccc(CN[C@H](c2cccnc2)C2CCC2)c1 ZINC001595244526 949500428 /nfs/dbraw/zinc/50/04/28/949500428.db2.gz UIYOUZVCUHCUSR-KRWDZBQOSA-N -1 3 296.370 3.411 20 0 CGADHM C[C@@H]1C[C@@H](C(=O)[O-])CN(Cc2cccc(F)c2Cl)C1 ZINC000399080228 951631291 /nfs/dbraw/zinc/63/12/91/951631291.db2.gz SWGATBKFBRLULV-MWLCHTKSSA-N -1 3 285.746 3.022 20 0 CGADHM CC(=O)c1cccc([O-])c1NC(=O)NCc1ccc(C)cc1 ZINC001185406143 957889220 /nfs/dbraw/zinc/88/92/20/957889220.db2.gz BRKVSJSVBBMFPW-UHFFFAOYSA-N -1 3 298.342 3.225 20 0 CGADHM O=C([O-])[C@@H]1CCCCCN1Cc1cccc(Cl)c1F ZINC000167045519 959331947 /nfs/dbraw/zinc/33/19/47/959331947.db2.gz QYVZQALXLLRYBI-LBPRGKRZSA-N -1 3 285.746 3.308 20 0 CGADHM C[C@H](c1ccc(F)c(Cl)c1)N1CC[C@@H](C(=O)[O-])[C@@H]1C ZINC000221522456 959808753 /nfs/dbraw/zinc/80/87/53/959808753.db2.gz CSYZPBTZFKFLCX-WCABBAIRSA-N -1 3 285.746 3.335 20 0 CGADHM COc1cccc([C@@H](C)NCc2ccsc2C(=O)[O-])c1 ZINC000234977599 960380149 /nfs/dbraw/zinc/38/01/49/960380149.db2.gz COAIVGQPQMDDFQ-SNVBAGLBSA-N -1 3 291.372 3.306 20 0 CGADHM Cc1nc2c(cccc2[N-]C(=O)c2cc(Cl)no2)o1 ZINC001569019399 960451829 /nfs/dbraw/zinc/45/18/29/960451829.db2.gz AADQZBLILMUOEV-UHFFFAOYSA-N -1 3 277.667 3.030 20 0 CGADHM C/C(=C\C(=O)[O-])CN1CC(C)(C)[C@H]1c1cccs1 ZINC001602958452 960551401 /nfs/dbraw/zinc/55/14/01/960551401.db2.gz SKIZNFAEVZTEDO-UTSBKAFOSA-N -1 3 265.378 3.162 20 0 CGADHM O=C(Nc1ccc(CO)cc1)c1cc2sccc2c([O-])c1 ZINC001570792897 962084560 /nfs/dbraw/zinc/08/45/60/962084560.db2.gz WGLQQUNZZNEESL-UHFFFAOYSA-N -1 3 299.351 3.352 20 0 CGADHM CCCCOCCSc1ccc(-c2nnn[n-]2)c(C)c1 ZINC001577517968 962554276 /nfs/dbraw/zinc/55/42/76/962554276.db2.gz RFCYINXGLXNJHN-UHFFFAOYSA-N -1 3 292.408 3.084 20 0 CGADHM CCCCOCCSc1ccc(-c2nn[n-]n2)c(C)c1 ZINC001577517968 962554290 /nfs/dbraw/zinc/55/42/90/962554290.db2.gz RFCYINXGLXNJHN-UHFFFAOYSA-N -1 3 292.408 3.084 20 0 CGADHM Nc1cc(C(=O)Nc2c([O-])cccc2Cl)ccc1F ZINC001580434309 962725768 /nfs/dbraw/zinc/72/57/68/962725768.db2.gz RRDFDUHERZVAKV-UHFFFAOYSA-N -1 3 280.686 3.019 20 0 CGADHM Cc1cc(F)c(-c2nnn[n-]2)c(N[C@H]2CCC[C@@H](F)C2)c1 ZINC001580930830 962749725 /nfs/dbraw/zinc/74/97/25/962749725.db2.gz MHHSVIHHBIXUMT-ZJUUUORDSA-N -1 3 293.321 3.007 20 0 CGADHM Cc1cc(F)c(-c2nn[n-]n2)c(N[C@H]2CCC[C@@H](F)C2)c1 ZINC001580930830 962749741 /nfs/dbraw/zinc/74/97/41/962749741.db2.gz MHHSVIHHBIXUMT-ZJUUUORDSA-N -1 3 293.321 3.007 20 0 CGADHM COCc1ncsc1C(=O)[N-]c1cscc1Cl ZINC001583716308 962848900 /nfs/dbraw/zinc/84/89/00/962848900.db2.gz VULRFHMYHDEIPU-UHFFFAOYSA-N -1 3 288.781 3.257 20 0 CGADHM O=C([N-]c1c(F)cccc1Cl)c1ncc(F)cc1F ZINC001584765194 962955977 /nfs/dbraw/zinc/95/59/77/962955977.db2.gz QEYIZKSFTLVYRU-UHFFFAOYSA-N -1 3 286.640 3.405 20 0 CGADHM CC(=O)c1ccc(C(=O)NCc2cc(C)cc(C)c2)cc1[O-] ZINC001585455430 963016473 /nfs/dbraw/zinc/01/64/73/963016473.db2.gz IWWALJOHLSVOEO-UHFFFAOYSA-N -1 3 297.354 3.142 20 0 CGADHM O=C([N-]c1cccc2ocnc21)c1conc1C(F)(F)F ZINC001587073294 963171382 /nfs/dbraw/zinc/17/13/82/963171382.db2.gz JFDMRJQNBOSKQG-UHFFFAOYSA-N -1 3 297.192 3.087 20 0 CGADHM COc1ccc(C(=O)NC2CCC(C(C)C)CC2)c([O-])c1 ZINC001588129623 963249443 /nfs/dbraw/zinc/24/94/43/963249443.db2.gz JFQQARMQHIBDPK-UHFFFAOYSA-N -1 3 291.391 3.345 20 0 CGADHM C(=Cc1ccncc1-c1nnn[n-]1)c1ccc2occc2c1 ZINC001588381392 963272320 /nfs/dbraw/zinc/27/23/20/963272320.db2.gz AILVXUJGSBRESI-HNQUOIGGSA-N -1 3 289.298 3.178 20 0 CGADHM C(=Cc1ccncc1-c1nn[n-]n1)c1ccc2occc2c1 ZINC001588381392 963272329 /nfs/dbraw/zinc/27/23/29/963272329.db2.gz AILVXUJGSBRESI-HNQUOIGGSA-N -1 3 289.298 3.178 20 0 CGADHM CC1(C)CN(CCCCC(=O)[O-])[C@@H]1c1cccs1 ZINC001589231440 963354049 /nfs/dbraw/zinc/35/40/49/963354049.db2.gz MSJWTWQGUVSMAW-CYBMUJFWSA-N -1 3 267.394 3.386 20 0 CGADHM CSCCCCCN[C@H](C)c1ncc(C(=O)[O-])s1 ZINC000314836975 963818941 /nfs/dbraw/zinc/81/89/41/963818941.db2.gz UPJWKHGQDRTQFI-SECBINFHSA-N -1 3 288.438 3.025 20 0 CGADHM CCCC1(CN[C@H](C)c2ncc(C(=O)[O-])s2)CCC1 ZINC000315263591 963871622 /nfs/dbraw/zinc/87/16/22/963871622.db2.gz COZBAECABDXJJM-SNVBAGLBSA-N -1 3 282.409 3.462 20 0 CGADHM CC[C@H](C)C[C@H](C)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC000315346267 963886523 /nfs/dbraw/zinc/88/65/23/963886523.db2.gz OTXHEZZWGOGMSX-LPEHRKFASA-N -1 3 270.398 3.317 20 0 CGADHM CC(C)CN(c1ccc(-c2nn[n-]n2)cc1)[C@H]1C=CCCC1 ZINC001589628890 964004417 /nfs/dbraw/zinc/00/44/17/964004417.db2.gz PSGGDNLTTOITRJ-HNNXBMFYSA-N -1 3 297.406 3.438 20 0 CGADHM CC(C)CCCOc1ccc(-c2nnn[n-]2)cc1Cl ZINC001589597948 964007845 /nfs/dbraw/zinc/00/78/45/964007845.db2.gz OHSMWFLUIXZKHY-UHFFFAOYSA-N -1 3 280.759 3.335 20 0 CGADHM CC(C)CCCOc1ccc(-c2nn[n-]n2)cc1Cl ZINC001589597948 964007858 /nfs/dbraw/zinc/00/78/58/964007858.db2.gz OHSMWFLUIXZKHY-UHFFFAOYSA-N -1 3 280.759 3.335 20 0 CGADHM O=C([O-])c1ccccc1CNCc1cccc2c1NCCC2 ZINC001606523185 974026220 /nfs/dbraw/zinc/02/62/20/974026220.db2.gz ZRDBSYIEUKYSFZ-UHFFFAOYSA-N -1 3 296.370 3.033 20 0 CGADHM CC(C)c1[nH]c(CN2CCC[C@@H](CCF)C2)cc1C(=O)[O-] ZINC001591912157 976338380 /nfs/dbraw/zinc/33/83/80/976338380.db2.gz FOKYMEMPLPMHPG-LBPRGKRZSA-N -1 3 296.386 3.408 20 0 CGADHM CC[C@@H](N[C@@H](C(=O)[O-])c1cccnc1)c1ccc(C)cc1 ZINC001595277682 980307753 /nfs/dbraw/zinc/30/77/53/980307753.db2.gz XVCUMCDDUWTOOY-HZPDHXFCSA-N -1 3 284.359 3.257 20 0 CGADHM CC[C@H]1CCCC[C@@H]1CNCc1ncc(C(=O)[O-])s1 ZINC001595443840 981083651 /nfs/dbraw/zinc/08/36/51/981083651.db2.gz CJDQRYFJNBSBGF-WDEREUQCSA-N -1 3 282.409 3.147 20 0 CGADHM CCCCN1CCC[C@@H]1c1nc(C(=O)[O-])c(C)s1 ZINC001595750755 982429290 /nfs/dbraw/zinc/42/92/90/982429290.db2.gz DBNDEJCSBCKZEJ-SNVBAGLBSA-N -1 3 268.382 3.087 20 0 CGADHM CCCN(Cc1ccc(C(=O)[O-])[nH]1)Cc1ccccc1 ZINC001595899793 982949716 /nfs/dbraw/zinc/94/97/16/982949716.db2.gz KTAYRQMXBWAQER-UHFFFAOYSA-N -1 3 272.348 3.125 20 0 CGADHM CSCCN[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001599800376 988166422 /nfs/dbraw/zinc/16/64/22/988166422.db2.gz BFIZJESDWDDPSK-SNVBAGLBSA-N -1 3 294.203 3.072 20 0 CGADHM CSc1ccccc1CN[C@@H](C(=O)[O-])c1ccccc1 ZINC001599824335 988571214 /nfs/dbraw/zinc/57/12/14/988571214.db2.gz YMOQTWDFUJTZKZ-OAHLLOKOSA-N -1 3 287.384 3.324 20 0 CGADHM C[C@@H](N[C@H](C(=O)[O-])c1ccc(F)cc1)c1ccsc1 ZINC001593196983 994159672 /nfs/dbraw/zinc/15/96/72/994159672.db2.gz XOQSSCBPBJEEOG-RNCFNFMXSA-N -1 3 279.336 3.364 20 0 CGADHM CC1=C(c2ccco2)CN(Cc2ccc(C(=O)[O-])o2)CC1 ZINC001594110693 998214068 /nfs/dbraw/zinc/21/40/68/998214068.db2.gz ZHLZFAXMTROJBI-UHFFFAOYSA-N -1 3 287.315 3.250 20 0 CGADHM CCc1cc(C(=O)N(C)C[C@H]2CC2(C)C)ccc1[O-] ZINC000621043533 349448812 /nfs/dbraw/zinc/44/88/12/349448812.db2.gz DKNLWSGTERNFTF-CYBMUJFWSA-N -1 3 261.365 3.073 20 0 CGADHM CSc1nnc(NC(=O)C[C@@H]2CCCCC2(C)C)[n-]1 ZINC000337457493 214094021 /nfs/dbraw/zinc/09/40/21/214094021.db2.gz PSSIMEBZJCGQBG-VIFPVBQESA-N -1 3 282.413 3.072 20 0 CGADHM CSc1n[n-]c(NC(=O)C[C@@H]2CCCCC2(C)C)n1 ZINC000337457493 214094024 /nfs/dbraw/zinc/09/40/24/214094024.db2.gz PSSIMEBZJCGQBG-VIFPVBQESA-N -1 3 282.413 3.072 20 0 CGADHM CSc1nc(NC(=O)C[C@@H]2CCCCC2(C)C)n[n-]1 ZINC000337457493 214094027 /nfs/dbraw/zinc/09/40/27/214094027.db2.gz PSSIMEBZJCGQBG-VIFPVBQESA-N -1 3 282.413 3.072 20 0 CGADHM Cc1ccc([C@H](C)N(C)C(=O)c2cc(F)c[n-]c2=O)cc1 ZINC000621506357 349537407 /nfs/dbraw/zinc/53/74/07/349537407.db2.gz WXTIEGDEUVTZEL-NSHDSACASA-N -1 3 288.322 3.068 20 0 CGADHM Cc1cc(C(=O)NCCc2cccc3[nH]ccc32)ccc1[O-] ZINC000337651949 214197887 /nfs/dbraw/zinc/19/78/87/214197887.db2.gz KRRBTCDPDAFBMX-UHFFFAOYSA-N -1 3 294.354 3.154 20 0 CGADHM Cc1cccc([O-])c1NC(=O)[C@H]1C[C@H]1C1CCCC1 ZINC000651638081 398260897 /nfs/dbraw/zinc/26/08/97/398260897.db2.gz LNFHFKKYSRXBCV-STQMWFEESA-N -1 3 259.349 3.465 20 0 CGADHM CSc1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000337740882 214242109 /nfs/dbraw/zinc/24/21/09/214242109.db2.gz CTDUSAMHCMPTTK-UHFFFAOYSA-N -1 3 297.376 3.348 20 0 CGADHM C[C@@H]1CN(Cc2c(Cl)oc3ccccc32)C[C@H]1C(=O)[O-] ZINC000621774568 349585052 /nfs/dbraw/zinc/58/50/52/349585052.db2.gz XNPAALDQKWIEFG-MWLCHTKSSA-N -1 3 293.750 3.239 20 0 CGADHM CC(=O)[C@H](C)SCc1ccc([O-])c2nc(C)ccc12 ZINC000337739934 214239640 /nfs/dbraw/zinc/23/96/40/214239640.db2.gz CJYIDYXMAFKTOL-NSHDSACASA-N -1 3 275.373 3.460 20 0 CGADHM Cc1cccc(-c2nc(CCCOC(C)C)no2)c1[O-] ZINC000273873514 192343791 /nfs/dbraw/zinc/34/37/91/192343791.db2.gz MDQAIGXUTDXDEP-UHFFFAOYSA-N -1 3 276.336 3.108 20 0 CGADHM CC[C@@H]1CCN1C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622064946 349625154 /nfs/dbraw/zinc/62/51/54/349625154.db2.gz VWEIDXLKGKZDJJ-SNVBAGLBSA-N -1 3 273.254 3.036 20 0 CGADHM Cc1ncc(CN[C@H]2CC(C)(C)c3ccccc32)c(=O)[n-]1 ZINC000346804987 282156330 /nfs/dbraw/zinc/15/63/30/282156330.db2.gz YOKAAWMGEUPGEP-HNNXBMFYSA-N -1 3 283.375 3.003 20 0 CGADHM [O-]c1cccc(CN2CC[C@@]3(CC3(F)F)C2)c1Cl ZINC000652064337 398323032 /nfs/dbraw/zinc/32/30/32/398323032.db2.gz LNBVEQWCCJVFAO-GFCCVEGCSA-N -1 3 273.710 3.277 20 0 CGADHM CC1(C)C[C@]1(C)NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622178671 349642062 /nfs/dbraw/zinc/64/20/62/349642062.db2.gz FQTUYCZIOZPMPP-ZDUSSCGKSA-N -1 3 287.281 3.329 20 0 CGADHM CC[C@@H](C)n1nc(C(=O)Nc2c(C)cccc2[O-])cc1C ZINC000436950141 529438736 /nfs/dbraw/zinc/43/87/36/529438736.db2.gz MHAZRBDVUNSEER-LLVKDONJSA-N -1 3 287.363 3.429 20 0 CGADHM CC[C@H](NC(=O)Cc1ccc([O-])c(F)c1)c1ccccc1 ZINC000622298155 349669678 /nfs/dbraw/zinc/66/96/78/349669678.db2.gz XJYPYMYXZNSSKA-HNNXBMFYSA-N -1 3 287.334 3.341 20 0 CGADHM Cc1cc(F)ccc1NC(=O)Cc1ccc([O-])c(F)c1 ZINC000622277234 349666825 /nfs/dbraw/zinc/66/68/25/349666825.db2.gz WIYAEMLRTLDQAE-UHFFFAOYSA-N -1 3 277.270 3.160 20 0 CGADHM CCCC1CCC(NC(=O)c2csc(=NCC)[n-]2)CC1 ZINC000622326433 349671923 /nfs/dbraw/zinc/67/19/23/349671923.db2.gz QLXREJYZOYHHSE-UHFFFAOYSA-N -1 3 295.452 3.086 20 0 CGADHM O=C(CCCc1ccc(F)cc1)Nc1ccccc1[O-] ZINC000622322268 349672234 /nfs/dbraw/zinc/67/22/34/349672234.db2.gz IBWAKZMANCGJSU-UHFFFAOYSA-N -1 3 273.307 3.493 20 0 CGADHM Cc1cccc(C(=O)NCc2ccc(Cl)cc2F)c1[O-] ZINC000622524074 349684786 /nfs/dbraw/zinc/68/47/86/349684786.db2.gz DZCLDCMFSZQPQX-UHFFFAOYSA-N -1 3 293.725 3.423 20 0 CGADHM CCc1ccc([O-])c(C(=O)N[C@H]2CC(C)(C)OC2(C)C)c1 ZINC000622492225 349682726 /nfs/dbraw/zinc/68/27/26/349682726.db2.gz PISJIBMLGLSSCB-AWEZNQCLSA-N -1 3 291.391 3.031 20 0 CGADHM CCc1cccc(C(=O)N2Cc3cccc(F)c3C2)c1[O-] ZINC000622693736 349695049 /nfs/dbraw/zinc/69/50/49/349695049.db2.gz USIXMRGEOSYUMY-UHFFFAOYSA-N -1 3 285.318 3.250 20 0 CGADHM CCc1cc(C(=O)N(CCOC)C(CC)CC)ccc1[O-] ZINC000436690068 529511648 /nfs/dbraw/zinc/51/16/48/529511648.db2.gz XUWFGZXLXIDCNJ-UHFFFAOYSA-N -1 3 293.407 3.232 20 0 CGADHM CCc1cc(C(=O)N2CCC[C@@H](CC)C2)ccc1[O-] ZINC000436561938 529512136 /nfs/dbraw/zinc/51/21/36/529512136.db2.gz DNRKYHLOYGLRFU-GFCCVEGCSA-N -1 3 261.365 3.217 20 0 CGADHM CC[C@H](NC(=O)c1ccc([O-])c(C)c1)c1c(C)noc1C ZINC000436935985 529567721 /nfs/dbraw/zinc/56/77/21/529567721.db2.gz RINALFPDADRGMU-ZDUSSCGKSA-N -1 3 288.347 3.187 20 0 CGADHM CCc1ccc(C(=O)N2CCCC[C@@H](C)C2)c([O-])c1 ZINC000436835144 529595094 /nfs/dbraw/zinc/59/50/94/529595094.db2.gz CJERQUUQTJWYNM-GFCCVEGCSA-N -1 3 261.365 3.217 20 0 CGADHM CCc1ccc(C(=O)N[C@@H]2CCCC(F)(F)C2)c([O-])c1 ZINC000436836559 529606639 /nfs/dbraw/zinc/60/66/39/529606639.db2.gz ZPBWQXJNIOGGNR-LLVKDONJSA-N -1 3 283.318 3.262 20 0 CGADHM CCc1ccc(C(=O)N[C@@H](C)c2ccncc2CC)c([O-])c1 ZINC000436840805 529606726 /nfs/dbraw/zinc/60/67/26/529606726.db2.gz RRBLJBNPDDMIRP-LBPRGKRZSA-N -1 3 298.386 3.403 20 0 CGADHM CCc1ccc(C(=O)N[C@H](CC)CC(F)(F)F)c([O-])c1 ZINC000436836932 529608530 /nfs/dbraw/zinc/60/85/30/529608530.db2.gz DWUNHKBAERPUBH-SNVBAGLBSA-N -1 3 289.297 3.415 20 0 CGADHM CCc1ccc(C(=O)N2C[C@H](C)C[C@H](C)[C@@H]2C)c([O-])c1 ZINC000436984520 529601536 /nfs/dbraw/zinc/60/15/36/529601536.db2.gz BTVSYDZZSABGHB-AGIUHOORSA-N -1 3 275.392 3.461 20 0 CGADHM CCc1ccc(C(=O)NC2(C(F)(F)F)CCC2)c([O-])c1 ZINC000436830938 529602414 /nfs/dbraw/zinc/60/24/14/529602414.db2.gz DSPVWMDCKBOSRN-UHFFFAOYSA-N -1 3 287.281 3.169 20 0 CGADHM CCc1cccnc1-c1noc(-c2cc(C)ccc2[O-])n1 ZINC000157799332 529617718 /nfs/dbraw/zinc/61/77/18/529617718.db2.gz XROVGSPZFXEULC-UHFFFAOYSA-N -1 3 281.315 3.375 20 0 CGADHM CCc1ccc(CN[C@H](C(=O)[O-])c2ccccc2OC)cc1 ZINC000426770995 529657049 /nfs/dbraw/zinc/65/70/49/529657049.db2.gz YBXNKXUNXGSPNL-KRWDZBQOSA-N -1 3 299.370 3.173 20 0 CGADHM CCc1ccc([O-])c(-c2nc(-c3cccnc3OC)no2)c1 ZINC000436913911 529690663 /nfs/dbraw/zinc/69/06/63/529690663.db2.gz HPHPSSHDDZQHNU-UHFFFAOYSA-N -1 3 297.314 3.075 20 0 CGADHM CCc1ccc(O)c(NC(=O)c2ccc(C)cc2[O-])c1 ZINC000436608417 529693263 /nfs/dbraw/zinc/69/32/63/529693263.db2.gz UGAYAJXNJZFBEQ-UHFFFAOYSA-N -1 3 271.316 3.221 20 0 CGADHM C[C@@H]1CN(Cc2cc([O-])cc(F)c2)c2ccccc2O1 ZINC000351983733 136384531 /nfs/dbraw/zinc/38/45/31/136384531.db2.gz URMVMBPKKMRZFS-LLVKDONJSA-N -1 3 273.307 3.319 20 0 CGADHM Cc1cc(C(=O)N=c2[nH][n-]c(C)c2-c2ccccc2)c(C)o1 ZINC000623491662 349820032 /nfs/dbraw/zinc/82/00/32/349820032.db2.gz SBEGXWWQOCFQSK-UHFFFAOYSA-N -1 3 295.342 3.269 20 0 CGADHM Cc1ccccc1OCCN(C)C(=O)c1c(C)cccc1[O-] ZINC000623588272 349841897 /nfs/dbraw/zinc/84/18/97/349841897.db2.gz FRUOSZCUQGRUDR-UHFFFAOYSA-N -1 3 299.370 3.160 20 0 CGADHM CC[C@@]1(C)C[C@@H]1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000339007896 214894587 /nfs/dbraw/zinc/89/45/87/214894587.db2.gz YUYZYSNRSNZRRC-RNCFNFMXSA-N -1 3 253.729 3.420 20 0 CGADHM CC(C)c1cc([N-]C(=O)COc2ccc(Cl)cc2)on1 ZINC000023866482 344898335 /nfs/dbraw/zinc/89/83/35/344898335.db2.gz PMIZKDSGRIXJIR-UHFFFAOYSA-N -1 3 294.738 3.469 20 0 CGADHM COc1cccc(NC(=O)c2c[n-]nc2-c2ccccc2)c1 ZINC000028927368 344914974 /nfs/dbraw/zinc/91/49/74/344914974.db2.gz HECZNKLFRIQWTC-UHFFFAOYSA-N -1 3 293.326 3.338 20 0 CGADHM CC(C)(C)c1nnc([N-]C(=O)c2cc(F)ccc2F)s1 ZINC000055975736 345159432 /nfs/dbraw/zinc/15/94/32/345159432.db2.gz QNFBCHHOPDERST-UHFFFAOYSA-N -1 3 297.330 3.366 20 0 CGADHM CC[C@@H](C)CN(C)Cc1ccc(C(=O)[O-])cc1F ZINC000062751655 345239976 /nfs/dbraw/zinc/23/99/76/345239976.db2.gz WFANILIVKOZZBN-SNVBAGLBSA-N -1 3 253.317 3.002 20 0 CGADHM Cc1ccc(CN(C)C(=O)c2cc3c(cc2[O-])CCCC3)o1 ZINC000065616919 345275539 /nfs/dbraw/zinc/27/55/39/345275539.db2.gz ALVYFBMKYOKUMR-UHFFFAOYSA-N -1 3 299.370 3.445 20 0 CGADHM CO[N-]C(=O)[C@H]1CCCC[C@@H]1c1nc2ccccc2s1 ZINC000073084505 345430353 /nfs/dbraw/zinc/43/03/53/345430353.db2.gz GAACLOAOXJHZJR-QWRGUYRKSA-N -1 3 290.388 3.248 20 0 CGADHM CC[C@@H]1CCCN(Cc2cc(C)c(C(=O)[O-])o2)CC1 ZINC000079348699 345638567 /nfs/dbraw/zinc/63/85/67/345638567.db2.gz SXAAWSSBPWPIDY-GFCCVEGCSA-N -1 3 265.353 3.298 20 0 CGADHM [O-]c1ccc(CNc2ncnc3ccccc32)cc1F ZINC000078020099 345588927 /nfs/dbraw/zinc/58/89/27/345588927.db2.gz YTLGHEBLYCVKHY-UHFFFAOYSA-N -1 3 269.279 3.087 20 0 CGADHM CC(C)[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000081037172 345696867 /nfs/dbraw/zinc/69/68/67/345696867.db2.gz AMOLSNOPWKPGQW-UHFFFAOYSA-N -1 3 289.809 3.241 20 0 CGADHM CC(C)(CCNCc1cccc(F)c1F)CCC(=O)[O-] ZINC000087676607 345756574 /nfs/dbraw/zinc/75/65/74/345756574.db2.gz SVSRVFWUMBQENL-UHFFFAOYSA-N -1 3 285.334 3.336 20 0 CGADHM CC[C@H]1CCCN([C@@H](C)c2ccc(C(=O)[O-])o2)C1 ZINC000091780628 345823142 /nfs/dbraw/zinc/82/31/42/345823142.db2.gz VWZVEOORXATZQW-QWRGUYRKSA-N -1 3 251.326 3.161 20 0 CGADHM C[C@H]([N-]c1nc(-c2cccc(Cl)c2)no1)[C@H]1CCCO1 ZINC000091427453 345813680 /nfs/dbraw/zinc/81/36/80/345813680.db2.gz LOMJWTMJLPZSSR-JOYOIKCWSA-N -1 3 293.754 3.369 20 0 CGADHM Cc1cc(F)cc(NC(=O)c2cccc(C)c2[O-])c1 ZINC000091516314 345818069 /nfs/dbraw/zinc/81/80/69/345818069.db2.gz YDWJOQNCZSDBPR-UHFFFAOYSA-N -1 3 259.280 3.400 20 0 CGADHM CC[C@@H](c1ccc(F)cc1)N1CCC(CC(=O)[O-])CC1 ZINC000093682419 345883529 /nfs/dbraw/zinc/88/35/29/345883529.db2.gz VGFAGDQPIXPPOO-HNNXBMFYSA-N -1 3 279.355 3.464 20 0 CGADHM CCCCO[C@@H](C)C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000116979936 345981145 /nfs/dbraw/zinc/98/11/45/345981145.db2.gz HWUSQHXFYVXQOU-JTQLQIEISA-N -1 3 285.771 3.498 20 0 CGADHM Cc1ccc(C(=O)Nc2cnn(C(C)(C)C)c2)c([O-])c1C ZINC000127999441 346036446 /nfs/dbraw/zinc/03/64/46/346036446.db2.gz IXCHCLRUBDIPKC-UHFFFAOYSA-N -1 3 287.363 3.213 20 0 CGADHM CC(C)=C[C@@H]1[C@@H](C(=O)NCc2ccc([O-])c(F)c2)C1(C)C ZINC000133137875 346075454 /nfs/dbraw/zinc/07/54/54/346075454.db2.gz COPJXPQSUHUVSK-DOMZBBRYSA-N -1 3 291.366 3.386 20 0 CGADHM C[C@@H]1CCC[C@H](CC(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000133106810 346075503 /nfs/dbraw/zinc/07/55/03/346075503.db2.gz JLGBPKBNJCOSFX-NEPJUHHUSA-N -1 3 279.355 3.364 20 0 CGADHM O=C([N-]c1nnc(C2CC2)s1)c1cccc(Cl)c1F ZINC000133082318 346075878 /nfs/dbraw/zinc/07/58/78/346075878.db2.gz BYHZDCXWVDWFGF-UHFFFAOYSA-N -1 3 297.742 3.460 20 0 CGADHM CC(=O)c1ccc(NC(=O)c2ccc([O-])c(C)c2)cc1 ZINC000227014978 346307843 /nfs/dbraw/zinc/30/78/43/346307843.db2.gz TZPLBQYWCVIQNY-UHFFFAOYSA-N -1 3 269.300 3.156 20 0 CGADHM CCc1cc(=O)[n-]c(CN[C@]2(C)CCCc3ccccc32)n1 ZINC000351724514 219187875 /nfs/dbraw/zinc/18/78/75/219187875.db2.gz YOBDDJACISGFDY-GOSISDBHSA-N -1 3 297.402 3.086 20 0 CGADHM O=C([O-])[C@@H]1[C@H]2CCC[C@H]2CN1Cc1ccc(F)cc1Cl ZINC000300242317 346436927 /nfs/dbraw/zinc/43/69/27/346436927.db2.gz ZJYGUZGOEIOAPG-WFBYXXMGSA-N -1 3 297.757 3.164 20 0 CGADHM CCOc1ccccc1NC(=O)c1cc(C(F)(F)F)n[n-]1 ZINC000339231103 215029051 /nfs/dbraw/zinc/02/90/51/215029051.db2.gz CXVUVPUFIORXNV-UHFFFAOYSA-N -1 3 299.252 3.080 20 0 CGADHM CCOc1ccccc1NC(=O)c1cc(C(F)(F)F)[n-]n1 ZINC000339231103 215029053 /nfs/dbraw/zinc/02/90/53/215029053.db2.gz CXVUVPUFIORXNV-UHFFFAOYSA-N -1 3 299.252 3.080 20 0 CGADHM C[C@@H](c1ccc(F)c(F)c1)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000380213820 346556328 /nfs/dbraw/zinc/55/63/28/346556328.db2.gz IEWOCHHHEFJDQB-SCVCMEIPSA-N -1 3 283.318 3.068 20 0 CGADHM CCC1CCC([N-]S(=O)(=O)c2ccc(C)cc2F)CC1 ZINC000404874180 346601858 /nfs/dbraw/zinc/60/18/58/346601858.db2.gz HXYZOPRRMBKXNK-UHFFFAOYSA-N -1 3 299.411 3.381 20 0 CGADHM COc1cccc2c1n[n-]c2C(=O)Nc1ccc(C)c(C)c1 ZINC000580179484 346673807 /nfs/dbraw/zinc/67/38/07/346673807.db2.gz RJIPTOBBSYDNMD-UHFFFAOYSA-N -1 3 295.342 3.441 20 0 CGADHM COc1cccc2c(C(=O)Nc3ccc(C)c(C)c3)n[n-]c21 ZINC000580179484 346673809 /nfs/dbraw/zinc/67/38/09/346673809.db2.gz RJIPTOBBSYDNMD-UHFFFAOYSA-N -1 3 295.342 3.441 20 0 CGADHM CC[C@H]([N-]S(=O)(=O)c1cccs1)C1CCCCC1 ZINC000585803134 346730310 /nfs/dbraw/zinc/73/03/10/346730310.db2.gz QKXRTVNYMMMRLZ-LBPRGKRZSA-N -1 3 287.450 3.385 20 0 CGADHM O=S(=O)([N-]c1ccc(-c2ccccc2)cc1F)C1CC1 ZINC000589430720 346796978 /nfs/dbraw/zinc/79/69/78/346796978.db2.gz WJVYVNVYROBLQP-UHFFFAOYSA-N -1 3 291.347 3.397 20 0 CGADHM CCO[C@H]1C[C@@H](NCc2cccc([O-])c2Cl)C12CCC2 ZINC000339283563 215065857 /nfs/dbraw/zinc/06/58/57/215065857.db2.gz WORCOGXPYRZPOC-KGLIPLIRSA-N -1 3 295.810 3.483 20 0 CGADHM [O-]c1ccc(F)c(CNc2cccc(F)c2)c1F ZINC000351813762 219214156 /nfs/dbraw/zinc/21/41/56/219214156.db2.gz IKXVNBCNEGJTFB-UHFFFAOYSA-N -1 3 253.223 3.422 20 0 CGADHM [O-]c1cccc(CNCc2ccc3c(c2)COC3)c1Cl ZINC000339306686 215084068 /nfs/dbraw/zinc/08/40/68/215084068.db2.gz YBWFQFVZDLBILU-UHFFFAOYSA-N -1 3 289.762 3.366 20 0 CGADHM CSC1(C(=O)Nc2ccc([O-])cc2Cl)CCC1 ZINC000597856175 347595783 /nfs/dbraw/zinc/59/57/83/347595783.db2.gz FFYMGFZYZSGPBK-UHFFFAOYSA-N -1 3 271.769 3.270 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)SC[C@@H]2C[C@H]3C[C@H]3C2)n1 ZINC000600581696 347811591 /nfs/dbraw/zinc/81/15/91/347811591.db2.gz YMLJLMKXCBDSQL-YFKTTZPYSA-N -1 3 264.394 3.331 20 0 CGADHM CSc1nnc(NC(=O)C[C@H]2CCCC(C)(C)C2)[n-]1 ZINC000339390086 215140699 /nfs/dbraw/zinc/14/06/99/215140699.db2.gz BVHHATVTSYTRIX-SECBINFHSA-N -1 3 282.413 3.072 20 0 CGADHM CSc1n[n-]c(NC(=O)C[C@H]2CCCC(C)(C)C2)n1 ZINC000339390086 215140702 /nfs/dbraw/zinc/14/07/02/215140702.db2.gz BVHHATVTSYTRIX-SECBINFHSA-N -1 3 282.413 3.072 20 0 CGADHM CSc1nc(NC(=O)C[C@H]2CCCC(C)(C)C2)n[n-]1 ZINC000339390086 215140704 /nfs/dbraw/zinc/14/07/04/215140704.db2.gz BVHHATVTSYTRIX-SECBINFHSA-N -1 3 282.413 3.072 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2ccc3[nH]ccc3c2)c1 ZINC000603544297 348089502 /nfs/dbraw/zinc/08/95/02/348089502.db2.gz PAAJNWKFUAWOKA-UHFFFAOYSA-N -1 3 266.300 3.434 20 0 CGADHM CC(C)c1ccc(C(=O)NCCCC2CC2)c([O-])c1 ZINC000605888864 348168236 /nfs/dbraw/zinc/16/82/36/348168236.db2.gz YIJBQPPKAQNQPQ-UHFFFAOYSA-N -1 3 261.365 3.436 20 0 CGADHM O=C(NCc1ccc([O-])c(F)c1)c1ccc(Cl)cc1F ZINC000606537194 348189903 /nfs/dbraw/zinc/18/99/03/348189903.db2.gz XYMZCJVJHJKZNO-UHFFFAOYSA-N -1 3 297.688 3.254 20 0 CGADHM CC1CCC(CC(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC000606537440 348190006 /nfs/dbraw/zinc/19/00/06/348190006.db2.gz VIJHYQRWWDVYOQ-UHFFFAOYSA-N -1 3 279.355 3.364 20 0 CGADHM C[C@@H](C(=O)Nc1cc(Cl)ccc1[O-])c1ccco1 ZINC000608354852 348300097 /nfs/dbraw/zinc/30/00/97/348300097.db2.gz WFOYCPWBTLFPHV-MRVPVSSYSA-N -1 3 265.696 3.381 20 0 CGADHM CSc1ccc([O-])c(C(=O)NC[C@]2(C)CCCS2)c1 ZINC000612310385 348509178 /nfs/dbraw/zinc/50/91/78/348509178.db2.gz XKVWBCLWAAYHSB-AWEZNQCLSA-N -1 3 297.445 3.130 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])[C@H]1CCCC2(CC2)C1 ZINC000613027214 348560078 /nfs/dbraw/zinc/56/00/78/348560078.db2.gz KASTVSOJWWMNRE-JTQLQIEISA-N -1 3 263.312 3.440 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)C[C@@H](C)[C@@H]2CCCO2)c1[O-] ZINC000613035675 348561583 /nfs/dbraw/zinc/56/15/83/348561583.db2.gz PACAHKWXRZUHDX-RNCFNFMXSA-N -1 3 297.782 3.498 20 0 CGADHM CC(C)(C)C1=CCN(C(=O)c2ccc3[nH][n-]c(=O)c3c2)CC1 ZINC000613041976 348562188 /nfs/dbraw/zinc/56/21/88/348562188.db2.gz CFHFSBXOZGOAEV-UHFFFAOYSA-N -1 3 299.374 3.087 20 0 CGADHM CO[C@H](C(=O)Nc1c(C)cccc1[O-])C1CCCCC1 ZINC000613205883 348575282 /nfs/dbraw/zinc/57/52/82/348575282.db2.gz HJTSJBZQIKRVDW-HNNXBMFYSA-N -1 3 277.364 3.234 20 0 CGADHM CC1(CC(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)CCCC1 ZINC000615134133 348716789 /nfs/dbraw/zinc/71/67/89/348716789.db2.gz ULPBFCUOVNDEOE-UHFFFAOYSA-N -1 3 273.336 3.177 20 0 CGADHM Cc1nccnc1C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000614487884 348680497 /nfs/dbraw/zinc/68/04/97/348680497.db2.gz HWDKOBMAMSLWGW-UHFFFAOYSA-N -1 3 285.347 3.040 20 0 CGADHM Cc1ccc(C(=O)NC[C@@H]2Cc3ccccc32)c([O-])c1C ZINC000615887529 348772324 /nfs/dbraw/zinc/77/23/24/348772324.db2.gz XTUAVWRUULRVIB-AWEZNQCLSA-N -1 3 281.355 3.079 20 0 CGADHM CC(C)c1ccc(C(=O)N2CCC[C@H]2c2cn[nH]c2)c([O-])c1 ZINC000615895521 348773776 /nfs/dbraw/zinc/77/37/76/348773776.db2.gz PHQJPXQJABJGIN-HNNXBMFYSA-N -1 3 299.374 3.216 20 0 CGADHM CC(C)CCCC(=O)NCc1ccc([O-])c2ncccc12 ZINC000616023858 348782527 /nfs/dbraw/zinc/78/25/27/348782527.db2.gz XPFUACMVOXOGQG-UHFFFAOYSA-N -1 3 286.375 3.383 20 0 CGADHM C[C@@H]1CCC[C@H]1CC(=O)NCc1ccc([O-])c2ncccc12 ZINC000616023504 348782597 /nfs/dbraw/zinc/78/25/97/348782597.db2.gz SWONFKIJJMDDDO-OLZOCXBDSA-N -1 3 298.386 3.383 20 0 CGADHM CC(C)c1cccc(C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)c1 ZINC000616824856 348880923 /nfs/dbraw/zinc/88/09/23/348880923.db2.gz PGQDFUMCYGIBNZ-OAHLLOKOSA-N -1 3 299.374 3.059 20 0 CGADHM COCCC1(C(=O)Nc2ccc([O-])cc2Cl)CCC1 ZINC000616940912 348885175 /nfs/dbraw/zinc/88/51/75/348885175.db2.gz KAOUAETVUXHBGQ-UHFFFAOYSA-N -1 3 283.755 3.191 20 0 CGADHM C[C@H]1CC[C@H](CCC(=O)Nc2ccc([O-])cc2Cl)O1 ZINC000616941097 348885179 /nfs/dbraw/zinc/88/51/79/348885179.db2.gz RGAULYXUTDMHBG-GXSJLCMTSA-N -1 3 283.755 3.332 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)C2CC2)o1 ZINC000358468560 233137196 /nfs/dbraw/zinc/13/71/96/233137196.db2.gz GWPWDFAAWWEPKA-HNNXBMFYSA-N -1 3 291.372 3.018 20 0 CGADHM COc1ccc(C=Cc2cc(=O)[n-]c(C3CC3)n2)cc1OC ZINC000352008222 219286782 /nfs/dbraw/zinc/28/67/82/219286782.db2.gz NWPQOIGSALKOBM-XVNBXDOJSA-N -1 3 298.342 3.247 20 0 CGADHM Cc1cc(C(=O)N2CCC(c3ccco3)CC2)ccc1[O-] ZINC000617384030 348954824 /nfs/dbraw/zinc/95/48/24/348954824.db2.gz YNMVUNBGELQIQZ-UHFFFAOYSA-N -1 3 285.343 3.313 20 0 CGADHM Cc1ccc(C=Cc2cc(=O)[n-]c(-c3ccncc3)n2)s1 ZINC000352014564 219289900 /nfs/dbraw/zinc/28/99/00/219289900.db2.gz QUFJFSLFTJFTOJ-HWKANZROSA-N -1 3 295.367 3.372 20 0 CGADHM O=C(c1ccc(O)cc1[O-])N1CC[C@H](C2CCCCC2)C1 ZINC000618184762 349058507 /nfs/dbraw/zinc/05/85/07/349058507.db2.gz FOQMDLJBBCXBPQ-ZDUSSCGKSA-N -1 3 289.375 3.140 20 0 CGADHM CCc1cc(C(=O)NCC[C@@]2(C)CC2(F)F)ccc1[O-] ZINC000618636460 349132955 /nfs/dbraw/zinc/13/29/55/349132955.db2.gz KEFUPWVACOSIPT-AWEZNQCLSA-N -1 3 283.318 3.120 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2cccc(Cl)c2F)n1 ZINC000352038996 219298881 /nfs/dbraw/zinc/29/88/81/219298881.db2.gz BMVUSTSXKIRSGG-AATRIKPKSA-N -1 3 264.687 3.454 20 0 CGADHM COc1cc(C(=O)N2CCC[C@@H](C3CCC3)C2)ccc1[O-] ZINC000620206370 349338648 /nfs/dbraw/zinc/33/86/48/349338648.db2.gz MXACKHRKKUISAM-CQSZACIVSA-N -1 3 289.375 3.053 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2cc3ccccc3o2)n1 ZINC000352035703 219299191 /nfs/dbraw/zinc/29/91/91/219299191.db2.gz TVKUZDDAPHHHOI-VOTSOKGWSA-N -1 3 252.273 3.407 20 0 CGADHM CC(C)(C)n1nccc1NC(=O)c1cc([O-])ccc1Cl ZINC000620619455 349396157 /nfs/dbraw/zinc/39/61/57/349396157.db2.gz LNGOUTNLAXEQRO-UHFFFAOYSA-N -1 3 293.754 3.249 20 0 CGADHM [O-]c1ccc(Cl)c(CN2CCc3ccc(O)cc3C2)c1 ZINC000625256540 350147832 /nfs/dbraw/zinc/14/78/32/350147832.db2.gz YSFUADOLSQXXNG-UHFFFAOYSA-N -1 3 289.762 3.310 20 0 CGADHM CC(C)[C@@]1(CO)CCCN(Cc2cc([O-])ccc2Cl)C1 ZINC000625452576 350174306 /nfs/dbraw/zinc/17/43/06/350174306.db2.gz XOMXUCJXCSKXDF-INIZCTEOSA-N -1 3 297.826 3.276 20 0 CGADHM Cc1cc(CN2CC[C@@H](C(=O)[O-])[C@@H](C)C2)ccc1Cl ZINC000625970527 350237931 /nfs/dbraw/zinc/23/79/31/350237931.db2.gz TVCUJHRZLRDDPW-WCQYABFASA-N -1 3 281.783 3.191 20 0 CGADHM C[C@@H]1CC[C@H](C)N1C(=O)c1cc([O-])cc(Br)c1 ZINC000626077185 350256824 /nfs/dbraw/zinc/25/68/24/350256824.db2.gz FREIERYSPQFWMN-DTORHVGOSA-N -1 3 298.180 3.168 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CCS[C@@H]2CCCC[C@@H]21 ZINC000626031378 350251916 /nfs/dbraw/zinc/25/19/16/350251916.db2.gz BITSXULZRNQSRW-GXTWGEPZSA-N -1 3 291.416 3.201 20 0 CGADHM C[C@@H](CNCc1c(F)ccc([O-])c1F)N1CCCC[C@@H]1C ZINC000352123935 219330439 /nfs/dbraw/zinc/33/04/39/219330439.db2.gz STRYGHBNNDYTFL-RYUDHWBXSA-N -1 3 298.377 3.023 20 0 CGADHM CCO[C@@H](C(=O)Nc1ccc(Cl)cc1[O-])C(C)C ZINC000626277846 350290989 /nfs/dbraw/zinc/29/09/89/350290989.db2.gz SPINDYSAHDEOEJ-GFCCVEGCSA-N -1 3 271.744 3.045 20 0 CGADHM CC1(C)CC[C@H](NC(=O)Cc2ccc([O-])cc2Cl)C1 ZINC000352143513 219335939 /nfs/dbraw/zinc/33/59/39/219335939.db2.gz QYDVYZYLDGTODX-NSHDSACASA-N -1 3 281.783 3.283 20 0 CGADHM O=C(CC(C1CCC1)C1CCC1)NCc1ncccc1[O-] ZINC000626738057 350337205 /nfs/dbraw/zinc/33/72/05/350337205.db2.gz HDCJMAVIOYBKDP-UHFFFAOYSA-N -1 3 288.391 3.010 20 0 CGADHM COC1CC(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])C1 ZINC000626916100 350347471 /nfs/dbraw/zinc/34/74/71/350347471.db2.gz CZRFICHQAKQZMZ-UHFFFAOYSA-N -1 3 277.364 3.053 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CCCc2ccccc2CC1 ZINC000627657627 350372940 /nfs/dbraw/zinc/37/29/40/350372940.db2.gz IISLDPJWBGWKRF-UHFFFAOYSA-N -1 3 295.382 3.332 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1C[C@@H](C(C)C)[C@@H]1C(C)C ZINC000627641952 350372984 /nfs/dbraw/zinc/37/29/84/350372984.db2.gz ZFBOBPPLBYESJI-BBRMVZONSA-N -1 3 275.392 3.453 20 0 CGADHM Cc1cccc(C(=O)N2C[C@@H](C)C(F)(F)[C@@H](C)C2)c1[O-] ZINC000628387352 350522459 /nfs/dbraw/zinc/52/24/59/350522459.db2.gz QPGDJZYLHCGIBO-PHIMTYICSA-N -1 3 283.318 3.064 20 0 CGADHM CCc1ccc(C(=O)N2C[C@@H](C)C(F)(F)[C@@H](C)C2)c([O-])c1 ZINC000628398490 350526485 /nfs/dbraw/zinc/52/64/85/350526485.db2.gz SCVZYUMYVXCASP-PHIMTYICSA-N -1 3 297.345 3.318 20 0 CGADHM O=C(c1c([O-])cccc1O)N1CCCC2(CCCCC2)C1 ZINC000271392294 191113523 /nfs/dbraw/zinc/11/35/23/191113523.db2.gz UGZHZXOPVKBWPF-UHFFFAOYSA-N -1 3 289.375 3.284 20 0 CGADHM CC[C@@H](C)c1cccc([N-]S(=O)(=O)CC(C)(C)OC)c1 ZINC000629314271 350675198 /nfs/dbraw/zinc/67/51/98/350675198.db2.gz WXWPOTHRGAMHLM-GFCCVEGCSA-N -1 3 299.436 3.367 20 0 CGADHM C[C@H](c1ccc(C(=O)[O-])o1)N1CCCC(F)(F)CC1 ZINC000629368421 350680611 /nfs/dbraw/zinc/68/06/11/350680611.db2.gz NNJJMHDJPSBBCO-SECBINFHSA-N -1 3 273.279 3.160 20 0 CGADHM C/C=C\C[C@H]1CCCN(Cc2cc(C(=O)[O-])oc2C)C1 ZINC000629376093 350683062 /nfs/dbraw/zinc/68/30/62/350683062.db2.gz RIPPBRZEVOHEJD-SCOBNMCVSA-N -1 3 277.364 3.464 20 0 CGADHM Cc1scc(CN[C@H](C(=O)[O-])c2ccc(F)cc2)c1C ZINC000630457540 350843254 /nfs/dbraw/zinc/84/32/54/350843254.db2.gz XUIYXVMSYQOGFV-AWEZNQCLSA-N -1 3 293.363 3.420 20 0 CGADHM CC[C@H](CCNCc1c(F)ccc(F)c1Cl)C(=O)[O-] ZINC000630461347 350843800 /nfs/dbraw/zinc/84/38/00/350843800.db2.gz CUCJHVBXAQFLLK-MRVPVSSYSA-N -1 3 291.725 3.209 20 0 CGADHM CC(C)(C)n1cnc([N-]C(=O)c2cscc2Cl)n1 ZINC000632422434 351197297 /nfs/dbraw/zinc/19/72/97/351197297.db2.gz UYRYLQFSTDZUHA-UHFFFAOYSA-N -1 3 284.772 3.000 20 0 CGADHM O=C(Nc1ccccc1[O-])[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000116441307 186714191 /nfs/dbraw/zinc/71/41/91/186714191.db2.gz SUUOLVWXDYXOQF-UWVGGRQHSA-N -1 3 289.281 3.413 20 0 CGADHM CC1(C)CN(C(=O)c2ccccc2[O-])[C@H]1c1ccco1 ZINC000633786073 351372012 /nfs/dbraw/zinc/37/20/12/351372012.db2.gz ITSPOOXHMYXLCC-AWEZNQCLSA-N -1 3 271.316 3.209 20 0 CGADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@@]12C[C@@H]1CCCC2 ZINC000634089627 351437735 /nfs/dbraw/zinc/43/77/35/351437735.db2.gz LCKSRTOYDMDPAP-GUYCJALGSA-N -1 3 291.366 3.303 20 0 CGADHM CCc1nc(C)c(COc2ccc3c([O-])coc3c2C)o1 ZINC000634560338 351514199 /nfs/dbraw/zinc/51/41/99/351514199.db2.gz FDICWIJKWQKXSD-UHFFFAOYSA-N -1 3 287.315 3.008 20 0 CGADHM CCc1nc(C)c(COc2cc3occ([O-])c3c(C)c2)o1 ZINC000634561052 351514381 /nfs/dbraw/zinc/51/43/81/351514381.db2.gz JHTRGGBLXNKCJI-UHFFFAOYSA-N -1 3 287.315 3.008 20 0 CGADHM CC(C)c1c(-c2ccccc2)[n-]n(Cc2cccnc2)c1=O ZINC000634591891 351529105 /nfs/dbraw/zinc/52/91/05/351529105.db2.gz RIIMXTNEDUTKCA-MRXNPFEDSA-N -1 3 293.370 3.100 20 0 CGADHM Cc1[n-]n([C@@H]2CCc3c2cccc3F)c(=O)c1C1CC1 ZINC000634632506 351554334 /nfs/dbraw/zinc/55/43/34/351554334.db2.gz SRDGAXPGZRXOTQ-HUUCEWRRSA-N -1 3 272.323 3.057 20 0 CGADHM CCc1cc(C(=O)Nc2nc(C)c(C)s2)ccc1[O-] ZINC000291462440 198028851 /nfs/dbraw/zinc/02/88/51/198028851.db2.gz KUBJDRIHTFLKIY-UHFFFAOYSA-N -1 3 276.361 3.280 20 0 CGADHM CCc1cc(C(=O)N(CC)Cc2ccncc2)ccc1[O-] ZINC000291472202 198031192 /nfs/dbraw/zinc/03/11/92/198031192.db2.gz JKPRXQOOKKXXQQ-UHFFFAOYSA-N -1 3 284.359 3.012 20 0 CGADHM Cc1ccc(NC(=O)[C@@H]2CC(=O)c3ccccc32)c([O-])c1 ZINC000336497505 213371048 /nfs/dbraw/zinc/37/10/48/213371048.db2.gz ZYXGWYJGGVJNHR-CYBMUJFWSA-N -1 3 281.311 3.009 20 0 CGADHM CC(C)c1ccc(C(=O)N2CCSC[C@@H]2C)c([O-])c1 ZINC000271446959 191142615 /nfs/dbraw/zinc/14/26/15/191142615.db2.gz WONQTAURRHKNJG-NSHDSACASA-N -1 3 279.405 3.093 20 0 CGADHM Cc1conc1[N-]C(=O)c1cnc(-c2ccccc2)s1 ZINC000123294383 187083011 /nfs/dbraw/zinc/08/30/11/187083011.db2.gz SDGVRVOBONFJHT-UHFFFAOYSA-N -1 3 285.328 3.359 20 0 CGADHM CC[C@@H](C)CON=C([O-])Nc1nc(C(F)(F)F)cs1 ZINC000291912604 198103162 /nfs/dbraw/zinc/10/31/62/198103162.db2.gz QWQKMNSZWYLQGL-ZCFIWIBFSA-N -1 3 297.302 3.261 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)Nc1nc(C(F)(F)F)cs1 ZINC000291912604 198103164 /nfs/dbraw/zinc/10/31/64/198103164.db2.gz QWQKMNSZWYLQGL-ZCFIWIBFSA-N -1 3 297.302 3.261 20 0 CGADHM CS[C@@H](C)CC(=O)Nc1cc(Cl)ccc1[O-] ZINC000123975343 187116830 /nfs/dbraw/zinc/11/68/30/187116830.db2.gz ZLRWHLBGQFXWBG-ZETCQYMHSA-N -1 3 259.758 3.126 20 0 CGADHM O=C([N-]OC[C@@H]1CCOC1)Nc1cccc(C2CCC2)c1 ZINC000292006000 198132702 /nfs/dbraw/zinc/13/27/02/198132702.db2.gz IFSMBVVXZOUFES-GFCCVEGCSA-N -1 3 290.363 3.044 20 0 CGADHM NC(=O)c1cc(NC(=O)c2cccc([O-])c2)ccc1Cl ZINC000336477116 213348186 /nfs/dbraw/zinc/34/81/86/213348186.db2.gz YZCFLIKRYLRPKD-UHFFFAOYSA-N -1 3 290.706 3.181 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)CCc1c[nH]c2ccccc12 ZINC000292146585 198181422 /nfs/dbraw/zinc/18/14/22/198181422.db2.gz ROXJVACZLIGGJO-GFCCVEGCSA-N -1 3 274.364 3.194 20 0 CGADHM Cc1ccsc1[C@@H]1C[C@H]1C(=O)[N-]OC1CCCC1 ZINC000271651701 191260618 /nfs/dbraw/zinc/26/06/18/191260618.db2.gz FIGUHMNMBKLQAL-VXGBXAGGSA-N -1 3 265.378 3.150 20 0 CGADHM CC(C)[C@H]1N(C(=O)c2ccccc2[O-])CC12CCC2 ZINC000292271815 198225975 /nfs/dbraw/zinc/22/59/75/198225975.db2.gz GYCFIRMEYCQTDD-CQSZACIVSA-N -1 3 259.349 3.043 20 0 CGADHM CC(=O)[C@H](C)CCCCC(=O)Nc1ccc(C)cc1[O-] ZINC000153775538 188102741 /nfs/dbraw/zinc/10/27/41/188102741.db2.gz USFRRCFQYSLMFH-GFCCVEGCSA-N -1 3 277.364 3.425 20 0 CGADHM Cc1cc(C(=O)Nc2cc(C3CC3)ccn2)ccc1[O-] ZINC000292479059 198303616 /nfs/dbraw/zinc/30/36/16/198303616.db2.gz NIVKPPGUVMZQJW-UHFFFAOYSA-N -1 3 268.316 3.225 20 0 CGADHM Cc1cc(NC([O-])=NOCCC(F)(F)F)cnc1Cl ZINC000157568240 188325071 /nfs/dbraw/zinc/32/50/71/188325071.db2.gz ZBPZTAQBBUVRRC-UHFFFAOYSA-N -1 3 297.664 3.049 20 0 CGADHM Cc1cc(NC(=O)[N-]OCCC(F)(F)F)cnc1Cl ZINC000157568240 188325072 /nfs/dbraw/zinc/32/50/72/188325072.db2.gz ZBPZTAQBBUVRRC-UHFFFAOYSA-N -1 3 297.664 3.049 20 0 CGADHM O=C(Nc1ccccc1[O-])c1cc(F)ccc1Cl ZINC000336420429 213278696 /nfs/dbraw/zinc/27/86/96/213278696.db2.gz LMHAHTYBNOFILZ-UHFFFAOYSA-N -1 3 265.671 3.437 20 0 CGADHM O=C(Cc1c(F)cccc1Cl)[N-]OCCC(F)(F)F ZINC000162677419 188584874 /nfs/dbraw/zinc/58/48/74/188584874.db2.gz REIWURHLZUGZOK-UHFFFAOYSA-N -1 3 299.651 3.022 20 0 CGADHM O=C([N-]c1csc2ccccc12)c1cnns1 ZINC000352572855 219512693 /nfs/dbraw/zinc/51/26/93/219512693.db2.gz NIHMITPHELBAPI-UHFFFAOYSA-N -1 3 261.331 3.005 20 0 CGADHM Cc1c(F)cccc1NC([O-])=NOC1CCCC1 ZINC000271782757 191324640 /nfs/dbraw/zinc/32/46/40/191324640.db2.gz GGZPFDQGGPEKSE-UHFFFAOYSA-N -1 3 252.289 3.130 20 0 CGADHM Cc1c(F)cccc1NC(=O)[N-]OC1CCCC1 ZINC000271782757 191324643 /nfs/dbraw/zinc/32/46/43/191324643.db2.gz GGZPFDQGGPEKSE-UHFFFAOYSA-N -1 3 252.289 3.130 20 0 CGADHM O=c1cc(COc2cccc(Cl)c2)nc(C2CC2)[n-]1 ZINC000412975648 235233848 /nfs/dbraw/zinc/23/38/48/235233848.db2.gz GHYGHEDQMMMHDM-UHFFFAOYSA-N -1 3 276.723 3.292 20 0 CGADHM CC[C@H]1C[C@@H](c2nc(-c3ccc([O-])cc3)no2)CCO1 ZINC000272508039 191760103 /nfs/dbraw/zinc/76/01/03/191760103.db2.gz VQFJYPYIBHXHQV-AAEUAGOBSA-N -1 3 274.320 3.115 20 0 CGADHM Cc1cc([N-]C(=O)[C@H](C)Nc2cc(C)ccc2C)on1 ZINC000123747155 138369951 /nfs/dbraw/zinc/36/99/51/138369951.db2.gz DIGMIXQMCGMQTM-LBPRGKRZSA-N -1 3 273.336 3.039 20 0 CGADHM Cc1cc(F)c(CN[C@H](C)CCCCC(=O)[O-])c(F)c1 ZINC000424613903 236172421 /nfs/dbraw/zinc/17/24/21/236172421.db2.gz HAIOEUMDVNPGKI-LLVKDONJSA-N -1 3 285.334 3.396 20 0 CGADHM O=C([O-])[C@H](CC1CCCC1)NCc1cc(F)ccc1F ZINC000426716287 236307710 /nfs/dbraw/zinc/30/77/10/236307710.db2.gz LQWBCDBNBZZZSC-AWEZNQCLSA-N -1 3 283.318 3.088 20 0 CGADHM C[C@@H](C(=O)[O-])[C@@H](NCc1ccccc1F)c1ccccc1 ZINC000426754348 236311149 /nfs/dbraw/zinc/31/11/49/236311149.db2.gz PODPKUZOLCOLRQ-MLGOLLRUSA-N -1 3 287.334 3.377 20 0 CGADHM C[C@@H](O)C[C@H]1CCCCN1Cc1cccc([O-])c1Cl ZINC000294751696 199165945 /nfs/dbraw/zinc/16/59/45/199165945.db2.gz RLFZQMKMOCRPPZ-DGCLKSJQSA-N -1 3 283.799 3.171 20 0 CGADHM CC[C@H]1CCC[C@H]1C(=O)Nc1ccc([O-])cc1F ZINC000336203544 213023209 /nfs/dbraw/zinc/02/32/09/213023209.db2.gz BRUZQWZCDWTYBM-GXSJLCMTSA-N -1 3 251.301 3.296 20 0 CGADHM Cc1ncc(NC(=O)c2ccc(C)c(C)c2[O-])s1 ZINC000436513241 237120389 /nfs/dbraw/zinc/12/03/89/237120389.db2.gz MDWNEXAHFGVTGH-UHFFFAOYSA-N -1 3 262.334 3.026 20 0 CGADHM Cc1cc(C)cc([C@H](C)NC(=O)c2ccc(O)cc2[O-])c1 ZINC000436495028 237115054 /nfs/dbraw/zinc/11/50/54/237115054.db2.gz NDWKIERPTGJLFY-LBPRGKRZSA-N -1 3 285.343 3.206 20 0 CGADHM Cc1cnccc1CCNC(=O)c1ccc(C(C)C)cc1[O-] ZINC000436522826 237118696 /nfs/dbraw/zinc/11/86/96/237118696.db2.gz XGVOCMBLLCVZGR-UHFFFAOYSA-N -1 3 298.386 3.192 20 0 CGADHM Cc1cc(O)c(C(C)C)cc1C(=O)Nc1ncccc1[O-] ZINC000436644711 237148672 /nfs/dbraw/zinc/14/86/72/237148672.db2.gz XEQHFGOWAQKKNP-UHFFFAOYSA-N -1 3 286.331 3.177 20 0 CGADHM CC[C@@H](C)CON=C([O-])Nc1cncc(Cl)c1C ZINC000296848103 200014893 /nfs/dbraw/zinc/01/48/93/200014893.db2.gz FLBDLKJMUIUQPW-MRVPVSSYSA-N -1 3 271.748 3.143 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)Nc1cncc(Cl)c1C ZINC000296848103 200014895 /nfs/dbraw/zinc/01/48/95/200014895.db2.gz FLBDLKJMUIUQPW-MRVPVSSYSA-N -1 3 271.748 3.143 20 0 CGADHM Cc1ccc(C(=O)Nc2nccn2CC(C)C)c([O-])c1C ZINC000436541889 237125435 /nfs/dbraw/zinc/12/54/35/237125435.db2.gz AFBFWUPMOVCCER-UHFFFAOYSA-N -1 3 287.363 3.114 20 0 CGADHM Cc1cccc(OC[C@@H](C)NC(=O)c2ccc(C)cc2[O-])c1 ZINC000436674456 237156785 /nfs/dbraw/zinc/15/67/85/237156785.db2.gz SEHHARYLZUCJBQ-CQSZACIVSA-N -1 3 299.370 3.206 20 0 CGADHM Cc1ncccc1NC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436582073 237137021 /nfs/dbraw/zinc/13/70/21/237137021.db2.gz CNDYZXDOLHIPPE-UHFFFAOYSA-N -1 3 282.343 3.227 20 0 CGADHM Cc1ccc(C(=O)N[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)c([O-])c1C ZINC000436599816 237140996 /nfs/dbraw/zinc/14/09/96/237140996.db2.gz ZCEYBLHAADRIKH-IXDOHACOSA-N -1 3 293.366 3.077 20 0 CGADHM Cc1ccc([O-])c(C(=O)NCc2ccccc2OC(C)C)c1 ZINC000436687423 237158102 /nfs/dbraw/zinc/15/81/02/237158102.db2.gz QWQDNDJNXQVOMP-UHFFFAOYSA-N -1 3 299.370 3.418 20 0 CGADHM Cc1ccc2c(c1C)OC[C@@H]2NC(=O)c1cccc(C)c1[O-] ZINC000436724017 237165760 /nfs/dbraw/zinc/16/57/60/237165760.db2.gz QNQONPGEPQJVNJ-HNNXBMFYSA-N -1 3 297.354 3.181 20 0 CGADHM Cc1ccc(C(=O)N[C@H](C2CC2)C(F)(F)F)c([O-])c1C ZINC000436747848 237174931 /nfs/dbraw/zinc/17/49/31/237174931.db2.gz OWIIABJABNTOMQ-GFCCVEGCSA-N -1 3 287.281 3.080 20 0 CGADHM CN(C(=O)c1cc(CCc2ccccc2)ccc1[O-])C1CC1 ZINC000436785364 237180598 /nfs/dbraw/zinc/18/05/98/237180598.db2.gz ORGIJUUEWXSKDF-UHFFFAOYSA-N -1 3 295.382 3.412 20 0 CGADHM Cc1cc(C(=O)NC[C@@H](C)Cc2cccs2)ccc1[O-] ZINC000436938969 237217789 /nfs/dbraw/zinc/21/77/89/237217789.db2.gz WZQBLAGKACFYKR-NSHDSACASA-N -1 3 289.400 3.371 20 0 CGADHM CC(C)=CCC[C@@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000451741000 240352534 /nfs/dbraw/zinc/35/25/34/240352534.db2.gz NGQNLUMSYYVOSM-LLVKDONJSA-N -1 3 273.423 3.161 20 0 CGADHM Cc1cccnc1/C=C\c1nc(-c2ccc([O-])cc2)no1 ZINC000436908129 237207029 /nfs/dbraw/zinc/20/70/29/237207029.db2.gz HONHMIJILBNXMM-HJWRWDBZSA-N -1 3 279.299 3.316 20 0 CGADHM Cc1cc(O)ccc1-c1nc2cc(F)c(F)cc2c(=O)[n-]1 ZINC000436924554 237214103 /nfs/dbraw/zinc/21/41/03/237214103.db2.gz WXLSHBKHVVTIES-UHFFFAOYSA-N -1 3 288.253 3.295 20 0 CGADHM Cc1cc(NC(=O)[N-]OCC2CC2)c(Cl)cc1F ZINC000297217978 200117668 /nfs/dbraw/zinc/11/76/68/200117668.db2.gz ZFCSCGBNNFPAKV-UHFFFAOYSA-N -1 3 272.707 3.251 20 0 CGADHM CC(C)Oc1cccc(NC([O-])=NO[C@H]2CCCCO2)c1 ZINC000297346561 200156773 /nfs/dbraw/zinc/15/67/73/200156773.db2.gz PJLQHHGYUXDMTB-AWEZNQCLSA-N -1 3 294.351 3.054 20 0 CGADHM CC(C)Oc1cccc(NC(=O)[N-]O[C@H]2CCCCO2)c1 ZINC000297346561 200156775 /nfs/dbraw/zinc/15/67/75/200156775.db2.gz PJLQHHGYUXDMTB-AWEZNQCLSA-N -1 3 294.351 3.054 20 0 CGADHM Cc1c(C(=O)Nc2cccc([O-])c2)oc2c1C(=O)CCC2 ZINC000178334733 189108047 /nfs/dbraw/zinc/10/80/47/189108047.db2.gz ZNWJEOWFICNUHU-UHFFFAOYSA-N -1 3 285.299 3.065 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2ccccc2-c2cn[nH]c2)c1 ZINC000439746900 238275587 /nfs/dbraw/zinc/27/55/87/238275587.db2.gz OHDKQYBEWJJWDH-UHFFFAOYSA-N -1 3 293.326 3.343 20 0 CGADHM CCC[C@]1(C)CCCN(C(=O)c2ccc(O)cc2[O-])C1 ZINC000179527976 189200001 /nfs/dbraw/zinc/20/00/01/189200001.db2.gz AWUKJWVXSRKWMN-MRXNPFEDSA-N -1 3 277.364 3.140 20 0 CGADHM Cc1cccc([O-])c1NC(=O)CCO[C@@H](C)CC(C)C ZINC000179560558 189202328 /nfs/dbraw/zinc/20/23/28/189202328.db2.gz IKOORZFPGWMTAB-ZDUSSCGKSA-N -1 3 279.380 3.480 20 0 CGADHM CCn1c(=O)[n-]nc1S[C@@H]1CCc2ccc(Cl)cc21 ZINC000342252242 216279249 /nfs/dbraw/zinc/27/92/49/216279249.db2.gz UAVCAOBHBBFZLI-LLVKDONJSA-N -1 3 295.795 3.437 20 0 CGADHM CCn1c(=O)[n-]nc1S[C@H]1CCc2ccc(Cl)cc21 ZINC000342252243 216279567 /nfs/dbraw/zinc/27/95/67/216279567.db2.gz UAVCAOBHBBFZLI-NSHDSACASA-N -1 3 295.795 3.437 20 0 CGADHM O=C([O-])CCCCN(Cc1ccc(F)cc1F)C1CC1 ZINC000181543715 189299425 /nfs/dbraw/zinc/29/94/25/189299425.db2.gz PJQTZTCWJYWVJJ-UHFFFAOYSA-N -1 3 283.318 3.184 20 0 CGADHM O=C(c1ccc(O)cc1[O-])N1CCCC2(CCCCC2)C1 ZINC000182429327 189323618 /nfs/dbraw/zinc/32/36/18/189323618.db2.gz CVYXAXSYGDPIBO-UHFFFAOYSA-N -1 3 289.375 3.284 20 0 CGADHM CCc1cc(=O)[n-]c(CN[C@@H](C)c2cc3ccccc3o2)n1 ZINC000182627590 189329442 /nfs/dbraw/zinc/32/94/42/189329442.db2.gz UNEFPICCSXMFMQ-NSHDSACASA-N -1 3 297.358 3.342 20 0 CGADHM CCC[C@H]1C[C@@H](C(=O)Nc2c(C)cccc2[O-])CCO1 ZINC000182974902 189341470 /nfs/dbraw/zinc/34/14/70/189341470.db2.gz LRJJFWLLCHXAQD-STQMWFEESA-N -1 3 277.364 3.234 20 0 CGADHM C[C@H]1C[C@@H]1CNC(=O)CCc1ccc2ccccc2c1[O-] ZINC000448701680 239027902 /nfs/dbraw/zinc/02/79/02/239027902.db2.gz UBTSMRSWQLJHGO-SWLSCSKDSA-N -1 3 283.371 3.250 20 0 CGADHM Cc1ccc(-c2noc([N-][C@@H](CO)CC(C)(C)C)n2)cc1 ZINC000302042174 201313590 /nfs/dbraw/zinc/31/35/90/201313590.db2.gz LSQVSOCJQLSNBG-CYBMUJFWSA-N -1 3 289.379 3.254 20 0 CGADHM CCN(Cc1cccc(F)c1)Cc1nc(C)ccc1[O-] ZINC000120010771 370731689 /nfs/dbraw/zinc/73/16/89/370731689.db2.gz VHFYZPJXVQPEGN-UHFFFAOYSA-N -1 3 274.339 3.257 20 0 CGADHM CC(C)(C)c1ccc(NC(=O)[C@H]2CC2(F)F)c([O-])c1 ZINC000451479043 240310853 /nfs/dbraw/zinc/31/08/53/240310853.db2.gz LOVJZOGLAVKPRG-SECBINFHSA-N -1 3 269.291 3.283 20 0 CGADHM C[C@]1(NC(=O)c2cc([O-])ccc2Cl)CC=CCC1 ZINC000335577833 212288766 /nfs/dbraw/zinc/28/87/66/212288766.db2.gz HCRSPQOSJWSWGW-AWEZNQCLSA-N -1 3 265.740 3.274 20 0 CGADHM C[C@H](CC(C)(C)C)NC(=O)NCc1ccc([O-])c(F)c1 ZINC000455626219 241300001 /nfs/dbraw/zinc/30/00/01/241300001.db2.gz MYMQRJDZVRAYFT-SNVBAGLBSA-N -1 3 282.359 3.155 20 0 CGADHM CCc1ccc(C(=O)N2C[C@H](C3CC3)[C@H]2C2CC2)c([O-])c1 ZINC000456257267 241384112 /nfs/dbraw/zinc/38/41/12/241384112.db2.gz QODNXWYOUAHEDV-NVXWUHKLSA-N -1 3 285.387 3.215 20 0 CGADHM CC(C)[C@@H]1CN(C(=O)c2cccc([O-])c2)[C@@H]1C(C)C ZINC000456308920 241398357 /nfs/dbraw/zinc/39/83/57/241398357.db2.gz YXIUCTIPMKFWRH-LSDHHAIUSA-N -1 3 261.365 3.145 20 0 CGADHM O=C(Nc1ccccc1[O-])c1ccc2ncccc2c1 ZINC000121263790 370846404 /nfs/dbraw/zinc/84/64/04/370846404.db2.gz VVMRZCHPMTYPAN-UHFFFAOYSA-N -1 3 264.284 3.193 20 0 CGADHM O=c1cc(CN2CCCc3ccccc3C2)nc(C2CC2)[n-]1 ZINC000459353121 242085728 /nfs/dbraw/zinc/08/57/28/242085728.db2.gz QZEFCFMTMLAFEO-UHFFFAOYSA-N -1 3 295.386 3.008 20 0 CGADHM CC[C@]1(C)CCCN(Cc2cc(=O)[n-]c(C3CC3)n2)C1 ZINC000459355454 242087759 /nfs/dbraw/zinc/08/77/59/242087759.db2.gz NCNSPOWVLMGCNU-MRXNPFEDSA-N -1 3 275.396 3.072 20 0 CGADHM CC[C@H](c1ccncc1)N(C)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459392193 242097202 /nfs/dbraw/zinc/09/72/02/242097202.db2.gz PNTQHEIVNHEQAO-OAHLLOKOSA-N -1 3 298.390 3.038 20 0 CGADHM Cc1cccc(C(C)(C)NCc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000459393131 242097589 /nfs/dbraw/zinc/09/75/89/242097589.db2.gz YAWRSKSITJIBRX-UHFFFAOYSA-N -1 3 297.402 3.393 20 0 CGADHM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2)cc(C)c1F ZINC000460435076 242268824 /nfs/dbraw/zinc/26/88/24/242268824.db2.gz IHMMLBGCNPXMEG-UHFFFAOYSA-N -1 3 297.326 3.382 20 0 CGADHM CC(C)[C@@H]1C[C@H]1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000477706159 243051916 /nfs/dbraw/zinc/05/19/16/243051916.db2.gz VAJPPAUHJTVEAE-VHSXEESVSA-N -1 3 253.729 3.276 20 0 CGADHM CCCCOCCCN=c1[n-]cc(C(F)(F)F)s1 ZINC000477738114 243054174 /nfs/dbraw/zinc/05/41/74/243054174.db2.gz BBZSPJRJFODZHO-UHFFFAOYSA-N -1 3 282.331 3.203 20 0 CGADHM CCc1ccc([O-])c(C(=O)N(CC)CC2CCC2)c1 ZINC000478283416 243071735 /nfs/dbraw/zinc/07/17/35/243071735.db2.gz GVLMACJCTFLJEF-UHFFFAOYSA-N -1 3 261.365 3.217 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2ccc(OC(F)F)c(F)c2)n1 ZINC000486200466 243355863 /nfs/dbraw/zinc/35/58/63/243355863.db2.gz WUNISFQXALWIOY-HWKANZROSA-N -1 3 296.248 3.402 20 0 CGADHM CCc1cc(C(=O)N[C@H]2C[C@@H]2Cc2ccccc2)ccc1[O-] ZINC000486473358 243362180 /nfs/dbraw/zinc/36/21/80/243362180.db2.gz VIIGDKBXKWDQOX-IRXDYDNUSA-N -1 3 295.382 3.316 20 0 CGADHM C[C@@H]1CCC[C@H](C(=O)Nc2ccc([O-])cc2F)C1 ZINC000121839233 370901517 /nfs/dbraw/zinc/90/15/17/370901517.db2.gz JEWGYFYOPKNNDW-ZJUUUORDSA-N -1 3 251.301 3.296 20 0 CGADHM Cc1cccc(C(=O)Nc2ccc(F)c(F)c2F)c1[O-] ZINC000019838431 368770444 /nfs/dbraw/zinc/77/04/44/368770444.db2.gz HFPBIWHGCYAYMO-UHFFFAOYSA-N -1 3 281.233 3.370 20 0 CGADHM O=S(=O)([N-]C1CCCCC1)c1cccc(Cl)c1F ZINC000032400859 368931665 /nfs/dbraw/zinc/93/16/65/368931665.db2.gz HERQPMVEFYBQIN-UHFFFAOYSA-N -1 3 291.775 3.090 20 0 CGADHM Cc1cccc([O-])c1NC(=O)/C=C\c1ccc(Cl)nc1 ZINC000492345706 243930858 /nfs/dbraw/zinc/93/08/58/243930858.db2.gz XYFNYOFJFABNMJ-VURMDHGXSA-N -1 3 288.734 3.401 20 0 CGADHM Cc1ccc(/C=C/C(=O)Nc2c(C)cccc2[O-])cn1 ZINC000492939257 244056029 /nfs/dbraw/zinc/05/60/29/244056029.db2.gz CLPPUINNXLSUSI-CMDGGOBGSA-N -1 3 268.316 3.056 20 0 CGADHM O=C([O-])c1cccc(CNCc2ccc(Cl)cc2)c1 ZINC000041582481 369192178 /nfs/dbraw/zinc/19/21/78/369192178.db2.gz MXIDEHSCZLHCLS-UHFFFAOYSA-N -1 3 275.735 3.328 20 0 CGADHM Cc1ccc(C(=O)N(C)Cc2ccccc2C)c([O-])c1 ZINC000042255367 369209317 /nfs/dbraw/zinc/20/93/17/369209317.db2.gz FHMFCXOAAGVTNK-UHFFFAOYSA-N -1 3 269.344 3.281 20 0 CGADHM CC(C)[C@@H]1CCCN1Cc1nc(=O)c2sccc2[n-]1 ZINC000049077593 369385856 /nfs/dbraw/zinc/38/58/56/369385856.db2.gz FAISOBSJFMAZMB-NSHDSACASA-N -1 3 277.393 3.017 20 0 CGADHM COc1ccc([O-])c(C(=O)N(C)C2CCCCCC2)c1 ZINC000049942882 369423915 /nfs/dbraw/zinc/42/39/15/369423915.db2.gz QNFNQTQFWDBRKI-UHFFFAOYSA-N -1 3 277.364 3.196 20 0 CGADHM Cc1cc(C(=O)NCCc2cccc(Cl)c2)ccc1[O-] ZINC000498521278 244502052 /nfs/dbraw/zinc/50/20/52/244502052.db2.gz DNFPIZNBHCHKNM-UHFFFAOYSA-N -1 3 289.762 3.327 20 0 CGADHM CCCCC[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000057706249 369545679 /nfs/dbraw/zinc/54/56/79/369545679.db2.gz DFVONJCESCPULJ-UHFFFAOYSA-N -1 3 295.326 3.174 20 0 CGADHM CCC(CC)c1nnc([N-]C(=O)c2c(C)noc2C)s1 ZINC000068714192 369746705 /nfs/dbraw/zinc/74/67/05/369746705.db2.gz SVTUZYCGWYNRGH-UHFFFAOYSA-N -1 3 294.380 3.299 20 0 CGADHM C[C@]1(CNC(=O)c2cccc([O-])c2)CCCc2ccccc21 ZINC000509492473 244913859 /nfs/dbraw/zinc/91/38/59/244913859.db2.gz CLMABHMJCWTMMV-LJQANCHMSA-N -1 3 295.382 3.416 20 0 CGADHM CC(C)(C)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000511904871 245010879 /nfs/dbraw/zinc/01/08/79/245010879.db2.gz DJPHLXLFNRQOCY-UHFFFAOYSA-N -1 3 296.219 3.318 20 0 CGADHM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2C)ccn1 ZINC000112496272 370428460 /nfs/dbraw/zinc/42/84/60/370428460.db2.gz XWXBVVUVGCWJFA-UHFFFAOYSA-N -1 3 296.779 3.153 20 0 CGADHM C[C@H]1CCCC[C@@H]1CC[N-]S(=O)(=O)c1cccs1 ZINC000512141839 245021300 /nfs/dbraw/zinc/02/13/00/245021300.db2.gz CPDCFPYIPYYCOR-NWDGAFQWSA-N -1 3 287.450 3.243 20 0 CGADHM COc1cccc(C(=O)N2C[C@H](C)CCC[C@H]2C)c1[O-] ZINC000134054411 371299991 /nfs/dbraw/zinc/29/99/91/371299991.db2.gz AOXLJBBQMDKZKS-VXGBXAGGSA-N -1 3 277.364 3.052 20 0 CGADHM C[C@H]1CC[C@H](NC(=O)Cc2ccc([O-])cc2Cl)CC1 ZINC000134168484 371308943 /nfs/dbraw/zinc/30/89/43/371308943.db2.gz OTPSMVXABCXKPO-KLPPZKSPSA-N -1 3 281.783 3.283 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])c1coc(C2CCCC2)n1 ZINC000331973206 204348383 /nfs/dbraw/zinc/34/83/83/204348383.db2.gz SRYQINVSUUXLCN-UHFFFAOYSA-N -1 3 290.294 3.429 20 0 CGADHM CC(=O)c1ccc(-c2nc(=O)c3cc(C)sc3[n-]2)s1 ZINC000134473725 371340322 /nfs/dbraw/zinc/34/03/22/371340322.db2.gz RTYZHSYERPXLFU-UHFFFAOYSA-N -1 3 290.369 3.224 20 0 CGADHM O=C(c1ccccc1[O-])N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000135175734 371398203 /nfs/dbraw/zinc/39/82/03/371398203.db2.gz VIYRSZFNEGZRCW-CQSZACIVSA-N -1 3 299.345 3.236 20 0 CGADHM C[C@H]1CCCC[C@@H]1NC(=O)Cc1ccc([O-])cc1Cl ZINC000136061597 371459058 /nfs/dbraw/zinc/45/90/58/371459058.db2.gz ZBMFTVFTBCOZQG-HZMBPMFUSA-N -1 3 281.783 3.283 20 0 CGADHM CC1(C)CCCC[C@H]1NC(=O)c1c[n-]c2ccccc2c1=O ZINC000137806420 371500959 /nfs/dbraw/zinc/50/09/59/371500959.db2.gz VUYYSNILCQJRLB-OAHLLOKOSA-N -1 3 298.386 3.227 20 0 CGADHM CC(C)Cc1ccc(C(=O)Nc2ncccc2[O-])cc1 ZINC000021901798 541856272 /nfs/dbraw/zinc/85/62/72/541856272.db2.gz MPAJDISIQXKNAR-UHFFFAOYSA-N -1 3 270.332 3.238 20 0 CGADHM CCc1cnc(S(=O)(=O)[C@@H](C)c2cccc(Cl)c2)[n-]1 ZINC000152017402 371666145 /nfs/dbraw/zinc/66/61/45/371666145.db2.gz HTLLGIMVJHOOLD-VIFPVBQESA-N -1 3 298.795 3.160 20 0 CGADHM CCc1c[n-]c(S(=O)(=O)[C@@H](C)c2cccc(Cl)c2)n1 ZINC000152017402 371666152 /nfs/dbraw/zinc/66/61/52/371666152.db2.gz HTLLGIMVJHOOLD-VIFPVBQESA-N -1 3 298.795 3.160 20 0 CGADHM COc1ccc(C(=O)NCCCCc2ccccc2)c([O-])c1 ZINC000028836477 541857343 /nfs/dbraw/zinc/85/73/43/541857343.db2.gz ANZXTERIUKQMOX-UHFFFAOYSA-N -1 3 299.370 3.154 20 0 CGADHM CC[C@H](c1ccc(F)cc1F)N(C)C[C@@H](C)C(=O)[O-] ZINC000422599361 371752760 /nfs/dbraw/zinc/75/27/60/371752760.db2.gz YKABPBIZYSIPTE-NOZJJQNGSA-N -1 3 271.307 3.068 20 0 CGADHM Cc1cccc(CN[C@H](CC(=O)[O-])c2cccs2)c1 ZINC000037087872 541860958 /nfs/dbraw/zinc/86/09/58/541860958.db2.gz RLENIEFHKHCLQA-CYBMUJFWSA-N -1 3 275.373 3.362 20 0 CGADHM O=C(Nc1ccc(Cl)cc1)c1cc(C(F)(F)F)n[n-]1 ZINC000339242022 284300472 /nfs/dbraw/zinc/30/04/72/284300472.db2.gz YZJLOMXNABWUIK-UHFFFAOYSA-N -1 3 289.644 3.334 20 0 CGADHM O=C(Nc1ccc(Cl)cc1)c1cc(C(F)(F)F)[n-]n1 ZINC000339242022 284300474 /nfs/dbraw/zinc/30/04/74/284300474.db2.gz YZJLOMXNABWUIK-UHFFFAOYSA-N -1 3 289.644 3.334 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)Sc2ccccc2F)n1 ZINC000155850884 371947765 /nfs/dbraw/zinc/94/77/65/371947765.db2.gz NVNMBZODAZJMBZ-VIFPVBQESA-N -1 3 264.325 3.483 20 0 CGADHM CCc1oc(C(=O)[N-]c2nnc(C3CC3)s2)cc1C ZINC000157027907 372003846 /nfs/dbraw/zinc/00/38/46/372003846.db2.gz KXWSIVSOMIZLCG-UHFFFAOYSA-N -1 3 277.349 3.132 20 0 CGADHM O=C([N-]c1cc(Cl)ccc1F)c1snnc1C1CC1 ZINC000291229016 372143393 /nfs/dbraw/zinc/14/33/93/372143393.db2.gz TZEDBLHBAFFAOZ-UHFFFAOYSA-N -1 3 297.742 3.460 20 0 CGADHM COc1c(Cl)cccc1NCc1nc(C)ccc1[O-] ZINC000159321029 372131061 /nfs/dbraw/zinc/13/10/61/372131061.db2.gz XSAMKWRGUOXDMG-UHFFFAOYSA-N -1 3 278.739 3.370 20 0 CGADHM CCO[N-]C(=O)C[C@H](C)c1ccc(Br)cc1 ZINC000160092388 372212436 /nfs/dbraw/zinc/21/24/36/372212436.db2.gz NLTMDYOAXXOFDK-VIFPVBQESA-N -1 3 286.169 3.010 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)Nc1ccc2[nH]ccc2c1 ZINC000292842317 372223714 /nfs/dbraw/zinc/22/37/14/372223714.db2.gz FGQLVDBVHYYINV-SNVBAGLBSA-N -1 3 261.325 3.267 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CC[C@@H](C)[C@@H](C)C2)c1 ZINC000153778360 321727378 /nfs/dbraw/zinc/72/73/78/321727378.db2.gz IMBMFHQVTSRRQL-NEPJUHHUSA-N -1 3 261.365 3.073 20 0 CGADHM Cc1ccc([O-])c(CN2CCN(C3CC3)c3ccccc32)n1 ZINC000428445675 372203060 /nfs/dbraw/zinc/20/30/60/372203060.db2.gz ZTTPLSDTSJNZPU-UHFFFAOYSA-N -1 3 295.386 3.085 20 0 CGADHM CCc1ccc([O-])c(C(=O)N(CC)CC(C)(C)C)c1 ZINC000428662255 372245482 /nfs/dbraw/zinc/24/54/82/372245482.db2.gz BEXISJSXJGEMDE-UHFFFAOYSA-N -1 3 263.381 3.463 20 0 CGADHM CC(C)OCCCCNCc1cccc([O-])c1Cl ZINC000293184812 372322323 /nfs/dbraw/zinc/32/23/23/372322323.db2.gz HMNRZNGQURLQFZ-UHFFFAOYSA-N -1 3 271.788 3.340 20 0 CGADHM [O-]c1cccc(CNCCCc2ccccn2)c1Cl ZINC000293323308 372355965 /nfs/dbraw/zinc/35/59/65/372355965.db2.gz RDELVVCLPNFCGX-UHFFFAOYSA-N -1 3 276.767 3.163 20 0 CGADHM C[C@@]1(NCc2cccc([O-])c2Cl)CCO[C@H]1C1CC1 ZINC000293384884 372371601 /nfs/dbraw/zinc/37/16/01/372371601.db2.gz WMILPGQOJJLREA-LSDHHAIUSA-N -1 3 281.783 3.093 20 0 CGADHM C[C@H](C(=O)Nc1ccc(Cl)cc1[O-])C(C)(F)F ZINC000293589832 372419306 /nfs/dbraw/zinc/41/93/06/372419306.db2.gz XCBLVDVYOMIQET-ZCFIWIBFSA-N -1 3 263.671 3.275 20 0 CGADHM COCCC1(CNCc2c(F)ccc([O-])c2F)CCCC1 ZINC000293630772 372428635 /nfs/dbraw/zinc/42/86/35/372428635.db2.gz NFKMVPHLDOGPHI-UHFFFAOYSA-N -1 3 299.361 3.357 20 0 CGADHM [O-]c1ccc(Br)c(CN2CCC[C@@H]2CF)c1 ZINC000293923949 372527051 /nfs/dbraw/zinc/52/70/51/372527051.db2.gz GXCQNPIWTXYQJL-SNVBAGLBSA-N -1 3 288.160 3.089 20 0 CGADHM Cc1nc(CCNCc2cccc([O-])c2Cl)cs1 ZINC000294094493 372579093 /nfs/dbraw/zinc/57/90/93/372579093.db2.gz LYXIRDLZJOHVED-UHFFFAOYSA-N -1 3 282.796 3.143 20 0 CGADHM O=S(=O)([N-][C@@H]1C[C@H]1C1CCCCC1)c1ccccc1F ZINC000433444173 372603810 /nfs/dbraw/zinc/60/38/10/372603810.db2.gz PUJKZRHIPOECAI-GXTWGEPZSA-N -1 3 297.395 3.073 20 0 CGADHM Cc1cccc([O-])c1NC(=O)CCCC(=O)C(C)(C)C ZINC000294993602 372684557 /nfs/dbraw/zinc/68/45/57/372684557.db2.gz QYRXURVUQBCSKW-UHFFFAOYSA-N -1 3 277.364 3.425 20 0 CGADHM O=C(c1ccc2n[n-]nc2c1)N(CC1CC1)C1CCCCC1 ZINC000171087040 372709759 /nfs/dbraw/zinc/70/97/59/372709759.db2.gz CDROMKSWOZVTJH-UHFFFAOYSA-N -1 3 298.390 3.143 20 0 CGADHM CN(Cc1nc2ccccc2s1)C(=O)c1cccc([O-])c1 ZINC000171407004 372752326 /nfs/dbraw/zinc/75/23/26/372752326.db2.gz PWSYWOSZUZVFQO-UHFFFAOYSA-N -1 3 298.367 3.274 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-][C@H](C)c2cccs2)c(F)c1 ZINC000171628423 372797682 /nfs/dbraw/zinc/79/76/82/372797682.db2.gz ZOKUMHGPOXUUEF-SNVBAGLBSA-N -1 3 299.392 3.235 20 0 CGADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CCCC12CCC2 ZINC000444604712 296189817 /nfs/dbraw/zinc/18/98/17/296189817.db2.gz ASZGBNQTWPBQGU-UHFFFAOYSA-N -1 3 285.387 3.430 20 0 CGADHM Cc1ncsc1CN(C)Cc1c(F)ccc([O-])c1F ZINC000295499940 372804736 /nfs/dbraw/zinc/80/47/36/372804736.db2.gz YIXDJTHMFSVVGF-UHFFFAOYSA-N -1 3 284.331 3.067 20 0 CGADHM Cc1cc(C)c2[n-]cc(C(=O)N3C[C@@H](C)[C@H]3C)c(=O)c2c1 ZINC000295583215 372836550 /nfs/dbraw/zinc/83/65/50/372836550.db2.gz LSNCBLOTIIWDIX-VXGBXAGGSA-N -1 3 284.359 3.038 20 0 CGADHM Cc1cc(C(=O)NC2[C@H](C)CCC[C@H]2C)ccc1[O-] ZINC000436941408 372842726 /nfs/dbraw/zinc/84/27/26/372842726.db2.gz PWSPFCFRABFPCI-GHMZBOCLSA-N -1 3 261.365 3.255 20 0 CGADHM CC(C)O[N-]C(=O)[C@H]1C[C@H]1c1c(F)cccc1Cl ZINC000295722808 372889700 /nfs/dbraw/zinc/88/97/00/372889700.db2.gz QRWXFCAMDZFMIJ-BDAKNGLRSA-N -1 3 271.719 3.039 20 0 CGADHM Cc1csc(CNCc2cccc(C(=O)[O-])c2)c1 ZINC000344719876 217287855 /nfs/dbraw/zinc/28/78/55/217287855.db2.gz HBANBTWNHWEVEZ-UHFFFAOYSA-N -1 3 261.346 3.045 20 0 CGADHM C[C@@H]1CCCCN1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000344730372 217292597 /nfs/dbraw/zinc/29/25/97/217292597.db2.gz FKDHOIJYBUNITR-GFCCVEGCSA-N -1 3 279.355 3.255 20 0 CGADHM CCN(C(=O)CCCc1ccc([O-])c(F)c1)C(C)C ZINC000344826257 217325495 /nfs/dbraw/zinc/32/54/95/217325495.db2.gz BHCNXYMODXBALY-UHFFFAOYSA-N -1 3 267.344 3.111 20 0 CGADHM CC(C)ON=C([O-])Nc1ccccc1N1CCCCC1 ZINC000296722227 373228830 /nfs/dbraw/zinc/22/88/30/373228830.db2.gz BZKCYVJXXZHHJU-UHFFFAOYSA-N -1 3 277.368 3.138 20 0 CGADHM CC(C)O[N-]C(=O)Nc1ccccc1N1CCCCC1 ZINC000296722227 373228835 /nfs/dbraw/zinc/22/88/35/373228835.db2.gz BZKCYVJXXZHHJU-UHFFFAOYSA-N -1 3 277.368 3.138 20 0 CGADHM O=C(Nc1ccccc1[O-])[C@@H]1C[C@@]12CCc1ccccc12 ZINC000175085816 373405609 /nfs/dbraw/zinc/40/56/09/373405609.db2.gz RPRNMEDHVKDWOW-KBXCAEBGSA-N -1 3 279.339 3.235 20 0 CGADHM Cc1cc(C)c(C(=O)Nc2nc(C)ccc2[O-])c(C)c1 ZINC000447634625 373467172 /nfs/dbraw/zinc/46/71/72/373467172.db2.gz SPJWELLDKYZGHN-UHFFFAOYSA-N -1 3 270.332 3.273 20 0 CGADHM CCSCC[C@H](C)N(C)C(=O)c1cccc(C)c1[O-] ZINC000175462412 373471640 /nfs/dbraw/zinc/47/16/40/373471640.db2.gz UBWVVJQJYUBWHX-LBPRGKRZSA-N -1 3 281.421 3.304 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)CC2CCCCC2)o1 ZINC000447829503 373501491 /nfs/dbraw/zinc/50/14/91/373501491.db2.gz IIADLMLSVFLJFH-NSHDSACASA-N -1 3 285.409 3.225 20 0 CGADHM Cc1cc(C)c(C(=O)N=c2cc(C3(C)CCCC3)o[n-]2)o1 ZINC000448409138 373576998 /nfs/dbraw/zinc/57/69/98/373576998.db2.gz CHUHEDRONOGYKS-UHFFFAOYSA-N -1 3 288.347 3.390 20 0 CGADHM C[C@H](Cc1ccccc1F)C(=O)Nc1cc(F)ccc1[O-] ZINC000178326152 373766532 /nfs/dbraw/zinc/76/65/32/373766532.db2.gz CWYFYMHOQLMPPG-SNVBAGLBSA-N -1 3 291.297 3.488 20 0 CGADHM C[C@@H]1CN(C(=O)/C=C/c2cncc([O-])c2)[C@H]1c1ccccc1 ZINC000179524858 373884310 /nfs/dbraw/zinc/88/43/10/373884310.db2.gz ZKZOFADOVYRLRC-FTHRHKOFSA-N -1 3 294.354 3.020 20 0 CGADHM Cc1cccc([O-])c1NC(=O)CCn1ccnc1C(C)C ZINC000179542099 373884335 /nfs/dbraw/zinc/88/43/35/373884335.db2.gz FWNLLZMJCOJJOK-UHFFFAOYSA-N -1 3 287.363 3.049 20 0 CGADHM Cc1cccc([O-])c1NC(=O)CCC(=O)c1ccccc1 ZINC000179552465 373886040 /nfs/dbraw/zinc/88/60/40/373886040.db2.gz ROTKJYNQWWCUDJ-UHFFFAOYSA-N -1 3 283.327 3.302 20 0 CGADHM Cc1cccc([O-])c1NC(=O)CSc1ccccc1 ZINC000179544892 373886355 /nfs/dbraw/zinc/88/63/55/373886355.db2.gz WXCIQSPRFXEDDF-UHFFFAOYSA-N -1 3 273.357 3.431 20 0 CGADHM COCc1ccc(C(=O)Nc2c(C)cccc2[O-])cc1 ZINC000179557679 373889234 /nfs/dbraw/zinc/88/92/34/373889234.db2.gz LUXXDZOCOGBABW-UHFFFAOYSA-N -1 3 271.316 3.099 20 0 CGADHM CC(C)c1noc([N-][C@@H]2CCCc3c(O)cccc32)n1 ZINC000302662447 373918534 /nfs/dbraw/zinc/91/85/34/373918534.db2.gz FFRZBBDBRQBYHL-GFCCVEGCSA-N -1 3 273.336 3.388 20 0 CGADHM CCc1noc(C)c1[N-]C(=O)c1cccc(C(F)(F)F)n1 ZINC000450235381 374011959 /nfs/dbraw/zinc/01/19/59/374011959.db2.gz VOBUJWGNYLDNHC-UHFFFAOYSA-N -1 3 299.252 3.212 20 0 CGADHM CCC[C@H]1CCC[C@@H]1C(=O)NCc1ccc([O-])c(F)c1 ZINC000449915196 373969922 /nfs/dbraw/zinc/96/99/22/373969922.db2.gz SRAGDDTWZBRDBV-STQMWFEESA-N -1 3 279.355 3.364 20 0 CGADHM O=C(Nc1ccc([O-])cc1F)c1csc(C2CC2)n1 ZINC000180859614 374052947 /nfs/dbraw/zinc/05/29/47/374052947.db2.gz OXAQHPXZCWOGBL-UHFFFAOYSA-N -1 3 278.308 3.118 20 0 CGADHM CC(=O)c1[n-]c(=N[C@H]2CCO[C@@H](CC(C)C)C2)sc1C ZINC000450426610 374120238 /nfs/dbraw/zinc/12/02/38/374120238.db2.gz QOABXSVSKPJKEV-STQMWFEESA-N -1 3 296.436 3.082 20 0 CGADHM CC(C)CO[N-]C(=O)/C=C\c1ccc(Cl)s1 ZINC000309071709 374181956 /nfs/dbraw/zinc/18/19/56/374181956.db2.gz XULMHINCEVOCSM-XQRVVYSFSA-N -1 3 259.758 3.119 20 0 CGADHM C[C@@H]1SCCN(CCCCC(=O)[O-])[C@@H]1c1ccccc1 ZINC000181566474 374141690 /nfs/dbraw/zinc/14/16/90/374141690.db2.gz QCQNMASVYOGGHA-BBRMVZONSA-N -1 3 293.432 3.420 20 0 CGADHM CC[C@@H](CNCc1c(F)cccc1Cl)CC(=O)[O-] ZINC000310819947 374225168 /nfs/dbraw/zinc/22/51/68/374225168.db2.gz HFAZZSKTZBUSBZ-SECBINFHSA-N -1 3 273.735 3.070 20 0 CGADHM O=C(Nc1ccc([O-])cc1F)[C@@H]1CC2CCC1CC2 ZINC000312107310 374269731 /nfs/dbraw/zinc/26/97/31/374269731.db2.gz XIGMJJNAEZISGX-RTYFJBAXSA-N -1 3 263.312 3.296 20 0 CGADHM CCc1ccc([O-])c(C(=O)NCCCC(C)(F)F)c1 ZINC000452197967 374273576 /nfs/dbraw/zinc/27/35/76/374273576.db2.gz AUAHTRAWOAUULS-UHFFFAOYSA-N -1 3 271.307 3.120 20 0 CGADHM CC[C@@H](NC(=O)c1cc([O-])ccc1C(F)(F)F)C(F)F ZINC000452267392 374305004 /nfs/dbraw/zinc/30/50/04/374305004.db2.gz VRIQGVKYVCJHTA-SECBINFHSA-N -1 3 297.223 3.185 20 0 CGADHM O=C([O-])[C@H](NCc1ccc2ncccc2c1)c1ccccc1 ZINC000315647962 374330563 /nfs/dbraw/zinc/33/05/63/374330563.db2.gz XKAHJTNCQOQNBU-QGZVFWFLSA-N -1 3 292.338 3.150 20 0 CGADHM Cc1[nH]nc(C(C)C)c1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000182876989 374337174 /nfs/dbraw/zinc/33/71/74/374337174.db2.gz NVWNSZIDYICKIX-UHFFFAOYSA-N -1 3 293.754 3.453 20 0 CGADHM Cc1n[nH]c(C(C)C)c1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000182876989 374337175 /nfs/dbraw/zinc/33/71/75/374337175.db2.gz NVWNSZIDYICKIX-UHFFFAOYSA-N -1 3 293.754 3.453 20 0 CGADHM Cc1cc(C(=O)N[C@H](C)c2nc3ccccc3[nH]2)ccc1[O-] ZINC000318265984 374342529 /nfs/dbraw/zinc/34/25/29/374342529.db2.gz CXURLRNVPRJWAX-LLVKDONJSA-N -1 3 295.342 3.068 20 0 CGADHM CCO[N-]C(=O)Nc1ccc(OC(C)C)c(Cl)c1 ZINC000182918283 374342841 /nfs/dbraw/zinc/34/28/41/374342841.db2.gz HFBSBCCELOAMAA-UHFFFAOYSA-N -1 3 272.732 3.200 20 0 CGADHM CC(C)c1cc(NC(=O)c2c[n-]c3ccccc3c2=O)n[nH]1 ZINC000319208951 374343149 /nfs/dbraw/zinc/34/31/49/374343149.db2.gz RNOKKUAKBPYYFS-UHFFFAOYSA-N -1 3 296.330 3.039 20 0 CGADHM CC(C)c1cc(NC(=O)c2cnc3ccccc3c2[O-])n[nH]1 ZINC000319208951 374343156 /nfs/dbraw/zinc/34/31/56/374343156.db2.gz RNOKKUAKBPYYFS-UHFFFAOYSA-N -1 3 296.330 3.039 20 0 CGADHM C[C@@H]1C[C@H]1c1ccc(CN2CCC(CCC(=O)[O-])CC2)o1 ZINC000086755829 541940400 /nfs/dbraw/zinc/94/04/00/541940400.db2.gz QLWJSUBNPXEVKZ-IUODEOHRSA-N -1 3 291.391 3.480 20 0 CGADHM C[C@H]1OCC[C@@H]1C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000330414507 374460416 /nfs/dbraw/zinc/46/04/16/374460416.db2.gz TXLOSBFIHLQARA-PWSUYJOCSA-N -1 3 277.364 3.053 20 0 CGADHM O=[S@@](Cc1cc(-c2ccccc2)on1)c1cccc([O-])c1 ZINC000184045285 374485367 /nfs/dbraw/zinc/48/53/67/374485367.db2.gz UHAPMYDUFWVDAK-NRFANRHFSA-N -1 3 299.351 3.355 20 0 CGADHM C[C@H](c1ccccc1F)[S@@](=O)c1cccc([O-])c1 ZINC000184050656 374485804 /nfs/dbraw/zinc/48/58/04/374485804.db2.gz ZBNAMJJMXRQGNK-MLCYQJTMSA-N -1 3 264.321 3.400 20 0 CGADHM CC(C)(C)c1nc(C[S@@](=O)c2cccc([O-])c2)cs1 ZINC000184055973 374487461 /nfs/dbraw/zinc/48/74/61/374487461.db2.gz VNRJMLCSSQGLGK-LJQANCHMSA-N -1 3 295.429 3.454 20 0 CGADHM C[C@H]1C[C@@H](CC(=O)NCc2ncccc2[O-])CC(C)(C)C1 ZINC000331029689 374497734 /nfs/dbraw/zinc/49/77/34/374497734.db2.gz YGVQIFPKLZOIKA-STQMWFEESA-N -1 3 290.407 3.256 20 0 CGADHM Cc1cccc(N(C)C(=O)c2cc(C(F)(F)F)n[n-]2)c1 ZINC000334186565 206160610 /nfs/dbraw/zinc/16/06/10/206160610.db2.gz GLMUZWQLNRVOTM-UHFFFAOYSA-N -1 3 283.253 3.014 20 0 CGADHM Cc1cccc(N(C)C(=O)c2cc(C(F)(F)F)[n-]n2)c1 ZINC000334186565 206160616 /nfs/dbraw/zinc/16/06/16/206160616.db2.gz GLMUZWQLNRVOTM-UHFFFAOYSA-N -1 3 283.253 3.014 20 0 CGADHM Cn1ccc(C(=O)Nc2ccc([O-])cc2F)c1C1CCC1 ZINC000334204859 206189239 /nfs/dbraw/zinc/18/92/39/206189239.db2.gz SUQMXERFCJJVTL-UHFFFAOYSA-N -1 3 288.322 3.390 20 0 CGADHM C[C@H](C1CC1)N(C)C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000185052171 374580393 /nfs/dbraw/zinc/58/03/93/374580393.db2.gz KRNQAUGAYAMJKQ-LLVKDONJSA-N -1 3 273.376 3.142 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])c1cnc(C2CC2)s1 ZINC000334227878 206221440 /nfs/dbraw/zinc/22/14/40/206221440.db2.gz GHUSMNAIWXVTSG-UHFFFAOYSA-N -1 3 278.308 3.118 20 0 CGADHM C[C@H]1CC[C@H](NC(=O)NCc2ccc([O-])c(F)c2)C[C@@H]1C ZINC000186261251 374821907 /nfs/dbraw/zinc/82/19/07/374821907.db2.gz SRGCNXBGTDFDNX-GVXVVHGQSA-N -1 3 294.370 3.155 20 0 CGADHM CSC[C@H](C)C(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000186270603 374824288 /nfs/dbraw/zinc/82/42/88/374824288.db2.gz AGFHLPHKHHYTKU-QWRGUYRKSA-N -1 3 279.405 3.232 20 0 CGADHM Cc1cccc(O)c1NC(=O)c1cc([O-])ccc1Cl ZINC000334460050 374771009 /nfs/dbraw/zinc/77/10/09/374771009.db2.gz MSHJEOYINZJUPK-UHFFFAOYSA-N -1 3 277.707 3.312 20 0 CGADHM C[C@H]1CCCN(Cc2cc(F)cc(Cl)c2)[C@H]1C(=O)[O-] ZINC000334576566 374877759 /nfs/dbraw/zinc/87/77/59/374877759.db2.gz HDYZMVFTCDFQNH-TVQRCGJNSA-N -1 3 285.746 3.164 20 0 CGADHM C[C@H](NC(=O)c1c[n-]nc1-c1ccc(Cl)s1)C1CC1 ZINC000187481462 375029583 /nfs/dbraw/zinc/02/95/83/375029583.db2.gz GBSWCYFECKMVGH-ZETCQYMHSA-N -1 3 295.795 3.320 20 0 CGADHM CC[C@@H]1CCCC[C@@H]1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000474420167 375111010 /nfs/dbraw/zinc/11/10/10/375111010.db2.gz XLJBILJDAHFOOY-RISCZKNCSA-N -1 3 299.378 3.022 20 0 CGADHM CC[C@@H]1CCCC[C@@H]1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000474420167 375111016 /nfs/dbraw/zinc/11/10/16/375111016.db2.gz XLJBILJDAHFOOY-RISCZKNCSA-N -1 3 299.378 3.022 20 0 CGADHM Cc1cc([N-]C(=O)c2ncsc2C(F)(F)F)sn1 ZINC000335068259 375104458 /nfs/dbraw/zinc/10/44/58/375104458.db2.gz HSLJQUFRCHXORA-UHFFFAOYSA-N -1 3 293.295 3.179 20 0 CGADHM CC(C)CN(CC(C)(C)C)C(=O)c1cccc2[n-]nnc21 ZINC000188454238 375218130 /nfs/dbraw/zinc/21/81/30/375218130.db2.gz DQLQYARNYMNXHX-UHFFFAOYSA-N -1 3 288.395 3.102 20 0 CGADHM CC(C)CN(CC(C)(C)C)C(=O)c1cccc2nn[n-]c21 ZINC000188454238 375218136 /nfs/dbraw/zinc/21/81/36/375218136.db2.gz DQLQYARNYMNXHX-UHFFFAOYSA-N -1 3 288.395 3.102 20 0 CGADHM CC(C)CN(CC(C)(C)C)C(=O)c1cccc2n[n-]nc21 ZINC000188454238 375218140 /nfs/dbraw/zinc/21/81/40/375218140.db2.gz DQLQYARNYMNXHX-UHFFFAOYSA-N -1 3 288.395 3.102 20 0 CGADHM C[C@@H](c1ccc(F)c(F)c1)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000263369209 296228137 /nfs/dbraw/zinc/22/81/37/296228137.db2.gz UVKFGOZQSVCDOX-JFGNBEQYSA-N -1 3 283.318 3.068 20 0 CGADHM CCc1ccccc1CC(=O)Nc1cc(F)ccc1[O-] ZINC000189033509 375315041 /nfs/dbraw/zinc/31/50/41/375315041.db2.gz MXZKWUGRNNCQHT-UHFFFAOYSA-N -1 3 273.307 3.275 20 0 CGADHM Cc1cccc(C(=O)N[C@@H](C)c2ccc(Cl)cn2)c1[O-] ZINC000188719289 375259292 /nfs/dbraw/zinc/25/92/92/375259292.db2.gz DLQQNYRWJHRXAJ-JTQLQIEISA-N -1 3 290.750 3.240 20 0 CGADHM CC1CCN(C(=O)c2cc([O-])ccc2C(F)(F)F)CC1 ZINC000188812835 375273074 /nfs/dbraw/zinc/27/30/74/375273074.db2.gz RORRIMMZWBDXBA-UHFFFAOYSA-N -1 3 287.281 3.283 20 0 CGADHM C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)c1csc(=O)[n-]1 ZINC000335693448 375351288 /nfs/dbraw/zinc/35/12/88/375351288.db2.gz BLTYVIONHZEQBF-QMMMGPOBSA-N -1 3 296.779 3.335 20 0 CGADHM CC(C)(C)c1nnsc1C(=O)[N-]c1cccc(F)c1F ZINC000335775074 375420000 /nfs/dbraw/zinc/42/00/00/375420000.db2.gz IUFLPKNEORRQLA-UHFFFAOYSA-N -1 3 297.330 3.366 20 0 CGADHM Cc1ccc([C@@H](C)N(C)C(=O)c2csc(=O)[n-]2)c(C)c1 ZINC000335784386 375426909 /nfs/dbraw/zinc/42/69/09/375426909.db2.gz BYOCFBQAEVWBFE-LLVKDONJSA-N -1 3 290.388 3.299 20 0 CGADHM Cc1nc(CC2CC2)sc1C(=O)Nc1ccccc1[O-] ZINC000190171283 375482752 /nfs/dbraw/zinc/48/27/52/375482752.db2.gz QKHBRNJCSWMPFG-UHFFFAOYSA-N -1 3 288.372 3.362 20 0 CGADHM Cc1nc(CC(C)C)oc1C(=O)Nc1ccccc1[O-] ZINC000190171152 375483249 /nfs/dbraw/zinc/48/32/49/375483249.db2.gz XOMUJISKEJUQOC-UHFFFAOYSA-N -1 3 274.320 3.139 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCc3sccc32)o1 ZINC000335881137 375508968 /nfs/dbraw/zinc/50/89/68/375508968.db2.gz HBMGEPBAIBKHTQ-LLVKDONJSA-N -1 3 297.401 3.005 20 0 CGADHM O=C(Nc1cccc([O-])c1F)c1sccc1Cl ZINC000335943396 375557146 /nfs/dbraw/zinc/55/71/46/375557146.db2.gz QTEIKYJCIHPPKR-UHFFFAOYSA-N -1 3 271.700 3.499 20 0 CGADHM Cc1cc([N-]S(=O)(=O)c2ccccc2C(C)C)ccn1 ZINC000190986860 375559488 /nfs/dbraw/zinc/55/94/88/375559488.db2.gz FCPZPDGCXUHXNP-UHFFFAOYSA-N -1 3 290.388 3.314 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CCC(F)(F)[C@@H](C)C2)c1 ZINC000336017133 375621661 /nfs/dbraw/zinc/62/16/61/375621661.db2.gz BJRRJCRXVFGHCW-JTQLQIEISA-N -1 3 283.318 3.072 20 0 CGADHM Cc1cc(C)c2c(=O)[n-]c(SCCC(C)C)nc2n1 ZINC000497645379 375607753 /nfs/dbraw/zinc/60/77/53/375607753.db2.gz IJHWLXGYWBINIJ-UHFFFAOYSA-N -1 3 277.393 3.485 20 0 CGADHM CC(C)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccccc2F)C1 ZINC000507538407 375713823 /nfs/dbraw/zinc/71/38/23/375713823.db2.gz WCCFZVFUUKSGKZ-OLZOCXBDSA-N -1 3 299.411 3.319 20 0 CGADHM C[C@@H](c1ccccn1)N(C)C(=O)c1cc([O-])ccc1Cl ZINC000336159974 375736936 /nfs/dbraw/zinc/73/69/36/375736936.db2.gz RCNCYZGESJFSOK-JTQLQIEISA-N -1 3 290.750 3.274 20 0 CGADHM Cc1noc(C)c1C(C)(C)C(=O)Nc1cc(F)ccc1[O-] ZINC000336150407 375728504 /nfs/dbraw/zinc/72/85/04/375728504.db2.gz WWKDKWXNKKZZQC-UHFFFAOYSA-N -1 3 292.310 3.052 20 0 CGADHM CCc1ccc([C@H](C)N[C@@H](C)c2nc(C)cc(=O)[n-]2)cc1 ZINC000192722042 375782240 /nfs/dbraw/zinc/78/22/40/375782240.db2.gz WKZHWLNIAMUEAS-STQMWFEESA-N -1 3 285.391 3.465 20 0 CGADHM O=C(N[C@H]1CCC[C@@H]1c1ccccc1)c1cccc([O-])c1 ZINC000509141302 375774058 /nfs/dbraw/zinc/77/40/58/375774058.db2.gz HBJVADTVENJBSD-SJORKVTESA-N -1 3 281.355 3.458 20 0 CGADHM C[C@@H](NC(=O)c1cccc([O-])c1)c1ccc(F)cc1F ZINC000192651224 375776306 /nfs/dbraw/zinc/77/63/06/375776306.db2.gz QRUPZRGWEMOIMO-SECBINFHSA-N -1 3 277.270 3.161 20 0 CGADHM O=C(N[C@H]1CC2CCC1CC2)c1cc([O-])ccc1Cl ZINC000336813850 375967040 /nfs/dbraw/zinc/96/70/40/375967040.db2.gz DIAYAJJVGPVPLP-FDZGAKKTSA-N -1 3 279.767 3.354 20 0 CGADHM CCc1cccc(C(=O)N2[C@H](C)CC[C@@H]2CC)c1[O-] ZINC000536817154 376132013 /nfs/dbraw/zinc/13/20/13/376132013.db2.gz XSMUWDUBISBEFV-YPMHNXCESA-N -1 3 261.365 3.358 20 0 CGADHM CCN(CC)c1ccc(NCc2cc([O-])cc(F)c2)cn1 ZINC000223097211 376246564 /nfs/dbraw/zinc/24/65/64/376246564.db2.gz CSCKNHQIACIZCU-UHFFFAOYSA-N -1 3 289.354 3.385 20 0 CGADHM CC[C@](C)(OC)c1noc(-c2cc(C)ccc2[O-])n1 ZINC000227832884 376415128 /nfs/dbraw/zinc/41/51/28/376415128.db2.gz KCJRJLZUMUHHLS-AWEZNQCLSA-N -1 3 262.309 3.022 20 0 CGADHM COc1cccc(Cl)c1CN(CC(=O)[O-])C1CCCC1 ZINC000228804819 376449223 /nfs/dbraw/zinc/44/92/23/376449223.db2.gz UVLDSVNFBVPFJH-UHFFFAOYSA-N -1 3 297.782 3.178 20 0 CGADHM COc1cccc(Cl)c1CN1CCC[C@@H](CC(=O)[O-])C1 ZINC000228804989 376449539 /nfs/dbraw/zinc/44/95/39/376449539.db2.gz PQNKNJABGGXQAV-NSHDSACASA-N -1 3 297.782 3.035 20 0 CGADHM CCC[C@@H](CC)NC(=O)c1cc([O-])ccc1Cl ZINC000233285845 376595854 /nfs/dbraw/zinc/59/58/54/376595854.db2.gz GKRAOTIPRISSTD-SECBINFHSA-N -1 3 255.745 3.354 20 0 CGADHM CC[C@@H]1CCCN(Cc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000233924450 376606832 /nfs/dbraw/zinc/60/68/32/376606832.db2.gz XVYBBQSRZXOGIH-LLVKDONJSA-N -1 3 265.328 3.146 20 0 CGADHM Cc1ccc(C(=O)Nc2cccc([O-])c2F)c(F)c1 ZINC000334323999 206370822 /nfs/dbraw/zinc/37/08/22/206370822.db2.gz KDJIYTIBSJYWAK-UHFFFAOYSA-N -1 3 263.243 3.231 20 0 CGADHM COc1cc(F)ccc1NC(=O)c1cc([O-])ccc1Cl ZINC000234952622 376626740 /nfs/dbraw/zinc/62/67/40/376626740.db2.gz VWNHOIGYUCATCW-UHFFFAOYSA-N -1 3 295.697 3.446 20 0 CGADHM C[C@@H](CCc1ccco1)NC(=O)c1cc([O-])ccc1Cl ZINC000235113915 376632321 /nfs/dbraw/zinc/63/23/21/376632321.db2.gz NYDKSGLGIVPYKP-JTQLQIEISA-N -1 3 293.750 3.390 20 0 CGADHM C[C@@H]([N-]C(=O)C(F)F)c1ccc(C(F)(F)F)cc1 ZINC000235209871 376634219 /nfs/dbraw/zinc/63/42/19/376634219.db2.gz WUSGUPMEIJBLAJ-ZCFIWIBFSA-N -1 3 267.197 3.148 20 0 CGADHM CCCSCc1nc(-c2ccc([O-])c(OC)c2)no1 ZINC000264561829 190119092 /nfs/dbraw/zinc/11/90/92/190119092.db2.gz ANGUTQUZQIMPJN-UHFFFAOYSA-N -1 3 280.349 3.094 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CC[C@H](C(C)(C)C)C2)c1 ZINC000544339905 376723337 /nfs/dbraw/zinc/72/33/37/376723337.db2.gz PNWIEJHYUNGPHT-ZDUSSCGKSA-N -1 3 275.392 3.463 20 0 CGADHM Cc1nc(C(C)C)sc1C(=O)Nc1nc(C)ccc1[O-] ZINC000544346868 376723352 /nfs/dbraw/zinc/72/33/52/376723352.db2.gz PGIHFTFOLNZVQT-UHFFFAOYSA-N -1 3 291.376 3.236 20 0 CGADHM CCc1ccsc1C(=O)Nc1ccc(OC)cc1[O-] ZINC000135407401 542088079 /nfs/dbraw/zinc/08/80/79/542088079.db2.gz WHLMTGWQPRCYAA-UHFFFAOYSA-N -1 3 277.345 3.277 20 0 CGADHM CCO[C@H](CC)c1noc(-c2ccc(C)cc2[O-])n1 ZINC000157375187 542134288 /nfs/dbraw/zinc/13/42/88/542134288.db2.gz PWESVLSBVWRRQU-GFCCVEGCSA-N -1 3 262.309 3.238 20 0 CGADHM CC(C)CN(C(=O)c1cccc2nn[n-]c21)c1ccccc1 ZINC000557759802 376954171 /nfs/dbraw/zinc/95/41/71/376954171.db2.gz AOHBJSLHJCVOGM-UHFFFAOYSA-N -1 3 294.358 3.261 20 0 CGADHM CC(C)CN(C(=O)c1cccc2[n-]nnc21)c1ccccc1 ZINC000557759802 376954181 /nfs/dbraw/zinc/95/41/81/376954181.db2.gz AOHBJSLHJCVOGM-UHFFFAOYSA-N -1 3 294.358 3.261 20 0 CGADHM CC(C)CN(C(=O)c1cccc2n[n-]nc21)c1ccccc1 ZINC000557759802 376954191 /nfs/dbraw/zinc/95/41/91/376954191.db2.gz AOHBJSLHJCVOGM-UHFFFAOYSA-N -1 3 294.358 3.261 20 0 CGADHM Cc1cccc([O-])c1NC(=O)[C@@H]1CCc2cccc(O)c21 ZINC000560351843 377143927 /nfs/dbraw/zinc/14/39/27/377143927.db2.gz GUESAGHVHRKGND-GFCCVEGCSA-N -1 3 283.327 3.075 20 0 CGADHM CC[C@@H](C)CN(C)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000264826329 190137480 /nfs/dbraw/zinc/13/74/80/190137480.db2.gz YKJRRZVOSHXSPC-LLVKDONJSA-N -1 3 272.348 3.059 20 0 CGADHM COCC1CCN(C(=O)c2ccc(C(C)C)cc2[O-])CC1 ZINC000264894309 190142561 /nfs/dbraw/zinc/14/25/61/190142561.db2.gz XRYCSCXOMRPAGI-UHFFFAOYSA-N -1 3 291.391 3.014 20 0 CGADHM Cc1ccc2[n-]cc(C(=O)N3CCC[C@H]3C(C)C)c(=O)c2c1 ZINC000341102981 377397473 /nfs/dbraw/zinc/39/74/73/377397473.db2.gz MWWIEQZXSPUHEV-INIZCTEOSA-N -1 3 298.386 3.097 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N2CC[C@@H](c3ccccc3)[C@H]2C)n1 ZINC000248737597 377391501 /nfs/dbraw/zinc/39/15/01/377391501.db2.gz LHCUDLMNLYHPRR-IJEWVQPXSA-N -1 3 297.402 3.430 20 0 CGADHM CC(C)(C)c1ncc(CN2CCC[C@@H](CC(=O)[O-])C2)s1 ZINC000563393394 377456114 /nfs/dbraw/zinc/45/61/14/377456114.db2.gz VIHNOECKVZRGFM-NSHDSACASA-N -1 3 296.436 3.127 20 0 CGADHM CCCCCOCc1nc(-c2ccc([O-])c(OC)c2)no1 ZINC000265049453 190154750 /nfs/dbraw/zinc/15/47/50/190154750.db2.gz SHXWBWRWFANOAF-UHFFFAOYSA-N -1 3 292.335 3.158 20 0 CGADHM CC(C)C1(NCc2cccc([O-])c2Br)CC1 ZINC000315297731 249099503 /nfs/dbraw/zinc/09/95/03/249099503.db2.gz XJFPWBMFFFDWPM-UHFFFAOYSA-N -1 3 284.197 3.433 20 0 CGADHM CCN(Cc1ccc(C(=O)[O-])cn1)Cc1ccccc1C ZINC000514943576 249195774 /nfs/dbraw/zinc/19/57/74/249195774.db2.gz IITWFRSMKMLJCJ-UHFFFAOYSA-N -1 3 284.359 3.110 20 0 CGADHM C[C@H](C(=O)Nc1c([O-])cccc1Cl)C(C)(F)F ZINC000516490556 249234946 /nfs/dbraw/zinc/23/49/46/249234946.db2.gz UMHBZRBSGGUENU-ZCFIWIBFSA-N -1 3 263.671 3.275 20 0 CGADHM CC(C)CCN(C(=O)c1c[n-]c2ccccc2c1=O)C1CC1 ZINC000177859860 542193780 /nfs/dbraw/zinc/19/37/80/542193780.db2.gz MWABDUSOAHZDRT-UHFFFAOYSA-N -1 3 298.386 3.179 20 0 CGADHM Cc1ccc([N-]S(=O)(=O)CCC2CCCCC2)nc1 ZINC000515773168 249219986 /nfs/dbraw/zinc/21/99/86/249219986.db2.gz NALFUAOYWQPUJC-UHFFFAOYSA-N -1 3 282.409 3.102 20 0 CGADHM CCc1oc(C(=O)[O-])cc1CN1CCC[C@@H](C)[C@H]1C ZINC000516479357 249234547 /nfs/dbraw/zinc/23/45/47/249234547.db2.gz JIBRMOYPJZKBLK-GHMZBOCLSA-N -1 3 265.353 3.161 20 0 CGADHM CC[C@H](C)N(CC(=O)[O-])Cc1cc(OC)ccc1Cl ZINC000517153565 249258020 /nfs/dbraw/zinc/25/80/20/249258020.db2.gz GPDQYLOHLDDTMP-JTQLQIEISA-N -1 3 285.771 3.034 20 0 CGADHM O=C([O-])c1ccc(CN2CCC[C@@]3(CC=CCC3)C2)o1 ZINC000573855569 377585734 /nfs/dbraw/zinc/58/57/34/377585734.db2.gz MUOFHOWELDBWOF-INIZCTEOSA-N -1 3 275.348 3.300 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2ccc(OC(C)C)cc2)n1 ZINC000517895266 249273044 /nfs/dbraw/zinc/27/30/44/249273044.db2.gz XDDYMHOQGWGEMQ-TWGQIWQCSA-N -1 3 270.332 3.448 20 0 CGADHM C[C@H]1CCCC[C@@H]1CC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000518837676 249287697 /nfs/dbraw/zinc/28/76/97/249287697.db2.gz KAPVYKQSJJNWEY-NWDGAFQWSA-N -1 3 299.378 3.022 20 0 CGADHM C[C@H]1CCCC[C@@H]1CC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000518837676 249287698 /nfs/dbraw/zinc/28/76/98/249287698.db2.gz KAPVYKQSJJNWEY-NWDGAFQWSA-N -1 3 299.378 3.022 20 0 CGADHM CC1(NC(=O)NCc2ccc([O-])c(F)c2)CCCCC1 ZINC000265737059 190203200 /nfs/dbraw/zinc/20/32/00/190203200.db2.gz CUPVENOFSNNBKJ-UHFFFAOYSA-N -1 3 280.343 3.053 20 0 CGADHM CC[C@H](c1ccncc1)N(CC)C(=O)c1ccccc1[O-] ZINC000265720222 190201828 /nfs/dbraw/zinc/20/18/28/190201828.db2.gz LZKLTNGHBQGJCX-OAHLLOKOSA-N -1 3 284.359 3.401 20 0 CGADHM O=C(/C=C\c1cncc([O-])c1)N1CCC[C@]2(CC=CCC2)C1 ZINC000255494498 377761654 /nfs/dbraw/zinc/76/16/54/377761654.db2.gz QWSIYLJEMKKCCH-OOFWQKGWSA-N -1 3 298.386 3.149 20 0 CGADHM Cc1cccc(C(=O)N[C@H](C)c2ccc(F)c(F)c2)c1[O-] ZINC000255951321 377788348 /nfs/dbraw/zinc/78/83/48/377788348.db2.gz GIGQONFLVAZIIX-SNVBAGLBSA-N -1 3 291.297 3.470 20 0 CGADHM C[C@@H]1C[C@H](C(=O)[O-])CN(Cc2ccc(F)c(Cl)c2)C1 ZINC000263100388 377919684 /nfs/dbraw/zinc/91/96/84/377919684.db2.gz WORIVTIDFAQWJF-KOLCDFICSA-N -1 3 285.746 3.022 20 0 CGADHM CC(C)(C)c1ccc([O-])c(NC(=O)c2cc(F)c[nH]2)c1 ZINC000343294691 377948264 /nfs/dbraw/zinc/94/82/64/377948264.db2.gz JLAUGGDPXNDUPH-UHFFFAOYSA-N -1 3 276.311 3.409 20 0 CGADHM O=C([O-])c1coc(CN2CCC[C@@]3(CC=CCC3)C2)c1 ZINC000578137801 378040707 /nfs/dbraw/zinc/04/07/07/378040707.db2.gz XMYSZHKRIOZHMG-INIZCTEOSA-N -1 3 275.348 3.300 20 0 CGADHM Cc1cccc(C(=O)N2CC(C)(C)[C@H]2c2cccnc2)c1[O-] ZINC000578201245 378046932 /nfs/dbraw/zinc/04/69/32/378046932.db2.gz HHGLYNMEOGFWAZ-MRXNPFEDSA-N -1 3 296.370 3.319 20 0 CGADHM Cc1c[nH]cc1C(=O)Nc1cc(Br)ccc1[O-] ZINC000334455705 206554107 /nfs/dbraw/zinc/55/41/07/206554107.db2.gz GJVCBUBLQICXJY-UHFFFAOYSA-N -1 3 295.136 3.044 20 0 CGADHM C[C@@H]1C[C@@H](C)N(Cc2c(Cl)cccc2C(=O)[O-])C1 ZINC000579120113 378130960 /nfs/dbraw/zinc/13/09/60/378130960.db2.gz ZKMDAZGJBWWROU-NXEZZACHSA-N -1 3 267.756 3.269 20 0 CGADHM CSC[C@H]1CCCN1Cc1c(Cl)cccc1C(=O)[O-] ZINC000565106559 322060912 /nfs/dbraw/zinc/06/09/12/322060912.db2.gz LCZJGMCNZHPBNM-SNVBAGLBSA-N -1 3 299.823 3.366 20 0 CGADHM COc1cccc2c(C(=O)Nc3ccc(F)cc3C)[n-]nc21 ZINC000345147787 378205171 /nfs/dbraw/zinc/20/51/71/378205171.db2.gz VVBVCFPMOIXUMH-UHFFFAOYSA-N -1 3 299.305 3.271 20 0 CGADHM COc1cccc2c(C(=O)Nc3ccc(F)cc3C)n[n-]c21 ZINC000345147787 378205173 /nfs/dbraw/zinc/20/51/73/378205173.db2.gz VVBVCFPMOIXUMH-UHFFFAOYSA-N -1 3 299.305 3.271 20 0 CGADHM O=C([O-])c1cnccc1N1CCC(c2ccsc2)CC1 ZINC000579478754 378164272 /nfs/dbraw/zinc/16/42/72/378164272.db2.gz BVLKVQFVNYQQGR-UHFFFAOYSA-N -1 3 288.372 3.225 20 0 CGADHM CCc1cc(=O)[n-]c(CN([C@@H](C)[C@H](C)CC)C2CC2)n1 ZINC000344357212 378168444 /nfs/dbraw/zinc/16/84/44/378168444.db2.gz UTSTWOVWIFFUQI-NEPJUHHUSA-N -1 3 277.412 3.144 20 0 CGADHM CCc1oc(C(=O)[O-])cc1CN1CCCC[C@@H]1CC ZINC000580084398 378221847 /nfs/dbraw/zinc/22/18/47/378221847.db2.gz RZMNZDMNOWQXTO-LBPRGKRZSA-N -1 3 265.353 3.305 20 0 CGADHM O=C(Nc1ccncc1[O-])C1CCC(c2ccccc2)CC1 ZINC000345375827 378271018 /nfs/dbraw/zinc/27/10/18/378271018.db2.gz MYDZFSSQPSGWJY-UHFFFAOYSA-N -1 3 296.370 3.122 20 0 CGADHM CC(C(=O)Nc1cc(Cl)c([O-])cc1F)C(F)(F)F ZINC000345668388 378339414 /nfs/dbraw/zinc/33/94/14/378339414.db2.gz ZCJALMHJTLQMHB-BYPYZUCNSA-N -1 3 285.624 3.322 20 0 CGADHM CSc1ccc(C)c(C(=O)Nc2nc(C)ccc2[O-])c1 ZINC000345918414 378407833 /nfs/dbraw/zinc/40/78/33/378407833.db2.gz AEXOJNMICLSFLW-UHFFFAOYSA-N -1 3 288.372 3.378 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2sccc2-n2cccc2)n1 ZINC000345925687 378410635 /nfs/dbraw/zinc/41/06/35/378410635.db2.gz KMIFETOOHQBDSE-UHFFFAOYSA-N -1 3 299.355 3.200 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2cc3ccccc3o2)n1 ZINC000346001522 378435562 /nfs/dbraw/zinc/43/55/62/378435562.db2.gz WJIKLBHGKBIYKZ-UHFFFAOYSA-N -1 3 268.272 3.094 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2cccc(-n3cccc3)c2)n1 ZINC000346004093 378436354 /nfs/dbraw/zinc/43/63/54/378436354.db2.gz WZVWCUUJFLEQHB-UHFFFAOYSA-N -1 3 293.326 3.139 20 0 CGADHM O=C(C/C=C/c1ccc(F)cc1)[N-]OC1CCCC1 ZINC000272160186 378573801 /nfs/dbraw/zinc/57/38/01/378573801.db2.gz ZBYWGDWQWHWBRZ-ONEGZZNKSA-N -1 3 263.312 3.219 20 0 CGADHM COc1cc(C(=O)N[C@H]2C[C@@H]2C2CCCCC2)ccc1[O-] ZINC000272636496 378681293 /nfs/dbraw/zinc/68/12/93/378681293.db2.gz WOMPMZQUVSYOGV-KGLIPLIRSA-N -1 3 289.375 3.099 20 0 CGADHM CCCO[C@H]1CCCN(C(=O)c2ccc([O-])c(C)c2)CC1 ZINC000272474792 378646326 /nfs/dbraw/zinc/64/63/26/378646326.db2.gz QCJBIIIOZHFSSN-HNNXBMFYSA-N -1 3 291.391 3.122 20 0 CGADHM CCCc1ccc([C@H](C)NCc2cnc(C)[n-]c2=O)cc1 ZINC000346796788 218016309 /nfs/dbraw/zinc/01/63/09/218016309.db2.gz OANQQIIEOYADSO-LBPRGKRZSA-N -1 3 285.391 3.294 20 0 CGADHM CCOCCCC(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000274394357 378825253 /nfs/dbraw/zinc/82/52/53/378825253.db2.gz QRZVOTLIZKCLGN-GFCCVEGCSA-N -1 3 277.364 3.049 20 0 CGADHM [O-]c1cc(F)cc(CN2CC=C(C(F)(F)F)CC2)c1 ZINC000274552813 378848686 /nfs/dbraw/zinc/84/86/86/378848686.db2.gz IZYZLDKBOABXKU-UHFFFAOYSA-N -1 3 275.245 3.226 20 0 CGADHM Cc1cc(C(=O)[N-]c2c(C)noc2C)c(C(F)(F)F)o1 ZINC000274463765 378837366 /nfs/dbraw/zinc/83/73/66/378837366.db2.gz TXZHVEYLLAAPIX-UHFFFAOYSA-N -1 3 288.225 3.464 20 0 CGADHM Cc1cc(C(=O)N2CC3(C2)CCCCC3)ccc1[O-] ZINC000274884274 378913235 /nfs/dbraw/zinc/91/32/35/378913235.db2.gz BJQDARFRPBTBJJ-UHFFFAOYSA-N -1 3 259.349 3.107 20 0 CGADHM CSc1cccc(NC([O-])=NO[C@H]2CCCCO2)c1C ZINC000274922033 378919140 /nfs/dbraw/zinc/91/91/40/378919140.db2.gz ZFTJDQWIVCILFF-ZDUSSCGKSA-N -1 3 296.392 3.297 20 0 CGADHM CSc1cccc(NC(=O)[N-]O[C@H]2CCCCO2)c1C ZINC000274922033 378919150 /nfs/dbraw/zinc/91/91/50/378919150.db2.gz ZFTJDQWIVCILFF-ZDUSSCGKSA-N -1 3 296.392 3.297 20 0 CGADHM COc1cc(C(=O)NCC[C@H](C)c2ccccc2)ccc1[O-] ZINC000276904195 379017732 /nfs/dbraw/zinc/01/77/32/379017732.db2.gz JOCYSANATJEKMJ-ZDUSSCGKSA-N -1 3 299.370 3.324 20 0 CGADHM CCO[C@H](CCN=c1[n-]c(C(F)(F)F)cs1)C(C)C ZINC000347418563 218229012 /nfs/dbraw/zinc/22/90/12/218229012.db2.gz VNLBSUDXGFCIAT-SECBINFHSA-N -1 3 296.358 3.447 20 0 CGADHM O=C([O-])CCCCCCCNCc1cc(F)ccc1F ZINC000277482173 379171063 /nfs/dbraw/zinc/17/10/63/379171063.db2.gz WQVWRHVKPSNEGG-UHFFFAOYSA-N -1 3 285.334 3.480 20 0 CGADHM C[C@@H](c1ccccc1Cl)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000568749840 322220923 /nfs/dbraw/zinc/22/09/23/322220923.db2.gz WVUQCPKVSYKHRY-NTZNESFSSA-N -1 3 281.783 3.444 20 0 CGADHM CCOc1cc(-c2noc(C(C)(C)C)n2)ccc1[O-] ZINC000277813279 379240157 /nfs/dbraw/zinc/24/01/57/379240157.db2.gz GVJWGBNOSDCYIS-UHFFFAOYSA-N -1 3 262.309 3.138 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N(C)C[C@H](C)c2ccccc2)n1 ZINC000279528818 379452337 /nfs/dbraw/zinc/45/23/37/379452337.db2.gz RJSATKIKFTZLPG-JSGCOSHPSA-N -1 3 285.391 3.287 20 0 CGADHM Cc1ccc(NC(=O)c2cccnc2OC(C)C)c([O-])c1 ZINC000349972434 379465322 /nfs/dbraw/zinc/46/53/22/379465322.db2.gz ZOJPOFFQMOCFNS-UHFFFAOYSA-N -1 3 286.331 3.135 20 0 CGADHM CSCCO[N-]C(=O)CCCCCc1cccs1 ZINC000279863750 379538888 /nfs/dbraw/zinc/53/88/88/379538888.db2.gz DBLNUMMVEJLREJ-UHFFFAOYSA-N -1 3 287.450 3.262 20 0 CGADHM CCCC[C@@H](CCC)CNC(=O)c1csc(=O)[n-]1 ZINC000350113524 379509457 /nfs/dbraw/zinc/50/94/57/379509457.db2.gz ILLROOUCRSHTFC-SNVBAGLBSA-N -1 3 270.398 3.185 20 0 CGADHM CC[C@@H]1CCN(C(=O)c2cc([O-])ccc2C(F)(F)F)C1 ZINC000279949237 379562183 /nfs/dbraw/zinc/56/21/83/379562183.db2.gz OWXYBYJHENGOPX-SECBINFHSA-N -1 3 287.281 3.283 20 0 CGADHM CCC(C)(C)OCc1nc(-c2ccc([O-])cc2)no1 ZINC000351190107 379675234 /nfs/dbraw/zinc/67/52/34/379675234.db2.gz VNDNXLRLEOLPIH-UHFFFAOYSA-N -1 3 262.309 3.147 20 0 CGADHM CSCCON=C([O-])Nc1cc(Cl)cc(Cl)c1 ZINC000280644913 379754704 /nfs/dbraw/zinc/75/47/04/379754704.db2.gz YSANHRNIODJJKI-UHFFFAOYSA-N -1 3 295.191 3.410 20 0 CGADHM CSCCO[N-]C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000280644913 379754709 /nfs/dbraw/zinc/75/47/09/379754709.db2.gz YSANHRNIODJJKI-UHFFFAOYSA-N -1 3 295.191 3.410 20 0 CGADHM COc1cc(C(=O)N2CCC[C@H](C(C)(C)C)C2)ccc1[O-] ZINC000280718166 379770718 /nfs/dbraw/zinc/77/07/18/379770718.db2.gz YGMBFTBVMYCBQH-ZDUSSCGKSA-N -1 3 291.391 3.299 20 0 CGADHM CC(C)(C)c1ccccc1C(=O)NCc1ncccc1[O-] ZINC000352516828 379841539 /nfs/dbraw/zinc/84/15/39/379841539.db2.gz NBKYOECCFVVHNE-UHFFFAOYSA-N -1 3 284.359 3.015 20 0 CGADHM C[C@@H]1CC[C@@]2(CCN(C(=O)c3cccc([O-])c3)C2)C1 ZINC000378619470 379847881 /nfs/dbraw/zinc/84/78/81/379847881.db2.gz FEDPBQVARYDUHM-MLGOLLRUSA-N -1 3 259.349 3.045 20 0 CGADHM CCO[C@@H]1C[C@@H](NCc2c(F)ccc([O-])c2F)C12CCC2 ZINC000352570327 379863360 /nfs/dbraw/zinc/86/33/60/379863360.db2.gz FZDBSAFVNPDKRP-ZIAGYGMSSA-N -1 3 297.345 3.108 20 0 CGADHM Cc1ccc(C(=O)N[C@@H]2CCCc3cc(N)ccc32)c([O-])c1 ZINC000388389512 379885919 /nfs/dbraw/zinc/88/59/19/379885919.db2.gz IVDQONYDUDNBAL-MRXNPFEDSA-N -1 3 296.370 3.090 20 0 CGADHM C[C@@H](N(C)C(=O)c1cc(=O)c2ccccc2[n-]1)C1(C)CC1 ZINC000267861103 190359193 /nfs/dbraw/zinc/35/91/93/190359193.db2.gz SBNOGDXWDIAUDT-LLVKDONJSA-N -1 3 284.359 3.201 20 0 CGADHM CC(C)(C)C[C@@H](CC(=O)[O-])NCc1c(F)cccc1F ZINC000283770253 380088702 /nfs/dbraw/zinc/08/87/02/380088702.db2.gz BWOXZQPFEGIJCE-SNVBAGLBSA-N -1 3 285.334 3.334 20 0 CGADHM CC(C)c1ccc(CCNC(=O)c2cccc([O-])c2)cc1 ZINC000641978469 380127914 /nfs/dbraw/zinc/12/79/14/380127914.db2.gz MKWLBUIZTQNDNG-UHFFFAOYSA-N -1 3 283.371 3.488 20 0 CGADHM Cc1ccc(C)c(OCCOc2ccc3c([O-])coc3c2)c1 ZINC000642608618 380179340 /nfs/dbraw/zinc/17/93/40/380179340.db2.gz KNFVDRXHWKWMIT-UHFFFAOYSA-N -1 3 298.338 3.336 20 0 CGADHM CCOc1nc2ccc(-c3nc([C@@H]4C[C@H]4C)no3)cc2[n-]1 ZINC000643107693 380213977 /nfs/dbraw/zinc/21/39/77/380213977.db2.gz OGCZOLNXCBWAKD-PSASIEDQSA-N -1 3 284.319 3.135 20 0 CGADHM NC1(c2noc(-c3ccc4ccccc4c3[O-])n2)CCCC1 ZINC000414626651 380343884 /nfs/dbraw/zinc/34/38/84/380343884.db2.gz KECMGOADNWQQQE-UHFFFAOYSA-N -1 3 295.342 3.323 20 0 CGADHM CC(C)N(Cc1cccnc1)Cc1cccc(C(=O)[O-])c1 ZINC000414637015 380348902 /nfs/dbraw/zinc/34/89/02/380348902.db2.gz LGBUSSRXERKWNV-UHFFFAOYSA-N -1 3 284.359 3.190 20 0 CGADHM CCc1cc(C(=O)N[C@@H]2C[C@]2(C)c2ccccc2)ccc1[O-] ZINC000643999079 380406776 /nfs/dbraw/zinc/40/67/76/380406776.db2.gz ODAKSOJNHFKKJK-IEBWSBKVSA-N -1 3 295.382 3.415 20 0 CGADHM COc1ccc(F)c(CN[C@@H](C)CCC[C@@H](C)C(=O)[O-])c1 ZINC000417530019 380632826 /nfs/dbraw/zinc/63/28/26/380632826.db2.gz HFZVUACASLHMIO-NEPJUHHUSA-N -1 3 297.370 3.203 20 0 CGADHM CCc1nc(CN[C@@H]2CCCCCC[C@@H]2C(=O)[O-])cs1 ZINC000417557778 380637982 /nfs/dbraw/zinc/63/79/82/380637982.db2.gz CNWVZSFEWKXFJP-QWHCGFSZSA-N -1 3 296.436 3.219 20 0 CGADHM CC(C)(C)c1cnc(CN[C@@H](CC(=O)[O-])C(C)(C)C)s1 ZINC000417557809 380638016 /nfs/dbraw/zinc/63/80/16/380638016.db2.gz CTMUCEDRRKBPAN-JTQLQIEISA-N -1 3 298.452 3.420 20 0 CGADHM Cc1c(F)cccc1-c1ccc(CNC[C@@H](C)C(=O)[O-])o1 ZINC000417579920 380642763 /nfs/dbraw/zinc/64/27/63/380642763.db2.gz CBKCPLHWLQMWLB-SNVBAGLBSA-N -1 3 291.322 3.204 20 0 CGADHM CCCC[C@H](COC)NCc1cccc([O-])c1Cl ZINC000645158680 380598490 /nfs/dbraw/zinc/59/84/90/380598490.db2.gz KJIFUEHMXIOVQB-GFCCVEGCSA-N -1 3 271.788 3.340 20 0 CGADHM FC(F)(F)c1csc(=N[C@@H]2CC[C@@H]3C[C@@H]3C2)[n-]1 ZINC000645396041 380668991 /nfs/dbraw/zinc/66/89/91/380668991.db2.gz KJKRUMQUSWZAPX-BWZBUEFSSA-N -1 3 262.300 3.184 20 0 CGADHM Cc1cccc2cc(S(=O)(=O)[N-]C(C)(C)C)sc21 ZINC000645422478 380677893 /nfs/dbraw/zinc/67/78/93/380677893.db2.gz NTTRIZWWXNCRFP-UHFFFAOYSA-N -1 3 283.418 3.287 20 0 CGADHM O=C([O-])[C@H]1C=C[C@@H](NCc2cc(Cl)cc(Cl)c2)C1 ZINC000417613110 380652201 /nfs/dbraw/zinc/65/22/01/380652201.db2.gz CMNDPVUTMYJGSQ-JOYOIKCWSA-N -1 3 286.158 3.112 20 0 CGADHM O=C([O-])[C@H](CC1CC1)NCc1ccc(Cl)cc1Cl ZINC000417622725 380655483 /nfs/dbraw/zinc/65/54/83/380655483.db2.gz MNVBKWXYFOTJEQ-LBPRGKRZSA-N -1 3 288.174 3.336 20 0 CGADHM C[C@H](CCC(=O)[O-])NCc1ccc(F)c(Cl)c1Cl ZINC000417629067 380657951 /nfs/dbraw/zinc/65/79/51/380657951.db2.gz RMMYDHBAEPBIAM-SSDOTTSWSA-N -1 3 294.153 3.475 20 0 CGADHM CC(C)=CCSC[C@H](NCc1sccc1C)C(=O)[O-] ZINC000417629672 380658083 /nfs/dbraw/zinc/65/80/83/380658083.db2.gz SOLSHQJHXMFCFI-LBPRGKRZSA-N -1 3 299.461 3.299 20 0 CGADHM C[C@H](CC(C)(C)NCc1ccsc1Cl)C(=O)[O-] ZINC000417640658 380661007 /nfs/dbraw/zinc/66/10/07/380661007.db2.gz ZLZYVWFHESCBRK-MRVPVSSYSA-N -1 3 275.801 3.381 20 0 CGADHM CC[C@@H]1CCCC[C@@H]1C(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000355605050 380725984 /nfs/dbraw/zinc/72/59/84/380725984.db2.gz JCCXBAGKDVHTQT-MNOVXSKESA-N -1 3 288.351 3.220 20 0 CGADHM CC[C@@H]1CCCC[C@@H]1C(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000355605050 380725990 /nfs/dbraw/zinc/72/59/90/380725990.db2.gz JCCXBAGKDVHTQT-MNOVXSKESA-N -1 3 288.351 3.220 20 0 CGADHM CC[C@@H]1CCCC[C@@H]1C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000355605050 380725996 /nfs/dbraw/zinc/72/59/96/380725996.db2.gz JCCXBAGKDVHTQT-MNOVXSKESA-N -1 3 288.351 3.220 20 0 CGADHM C[C@@H]1C[C@H](C)[C@@H](C)N(C(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC000356674195 380818536 /nfs/dbraw/zinc/81/85/36/380818536.db2.gz NOHMFXOTDWPVLT-FRRDWIJNSA-N -1 3 298.386 3.035 20 0 CGADHM O=C(N=c1cc(C2CCCCCC2)[nH][nH]1)c1cccc([O-])c1 ZINC000357298078 381097704 /nfs/dbraw/zinc/09/77/04/381097704.db2.gz XKKMRHDGLPPHML-UHFFFAOYSA-N -1 3 299.374 3.227 20 0 CGADHM CC(C)(C)CCNC(=O)Cc1ccc([O-])cc1Cl ZINC000357243604 381079701 /nfs/dbraw/zinc/07/97/01/381079701.db2.gz AUGGPSPTWOHNOZ-UHFFFAOYSA-N -1 3 269.772 3.141 20 0 CGADHM CC(C)[C@H]1CCCN1C(=O)Cc1ccc([O-])cc1Cl ZINC000357372971 381131164 /nfs/dbraw/zinc/13/11/64/381131164.db2.gz XFPPEYIZZYCROQ-CQSZACIVSA-N -1 3 281.783 3.235 20 0 CGADHM COc1cc(C(=O)N[C@@H](C)CCCC(C)C)ccc1[O-] ZINC000357598713 381224904 /nfs/dbraw/zinc/22/49/04/381224904.db2.gz UXYOVQPJQRDXGG-LBPRGKRZSA-N -1 3 279.380 3.345 20 0 CGADHM Cc1ccc([O-])c(CN2CC(C)(C)Oc3ccccc32)n1 ZINC000362087164 381882243 /nfs/dbraw/zinc/88/22/43/381882243.db2.gz AEVCCVRPLLPFKD-UHFFFAOYSA-N -1 3 284.359 3.273 20 0 CGADHM O=C(c1cccc([O-])c1)N1CC[C@H](c2cccc(F)c2)C1 ZINC000334929602 207310060 /nfs/dbraw/zinc/31/00/60/207310060.db2.gz APSJMBIDZTXDOX-AWEZNQCLSA-N -1 3 285.318 3.161 20 0 CGADHM CC(=O)c1cc(F)c([N-]C(=O)c2occc2C)c(F)c1 ZINC000334944361 207332568 /nfs/dbraw/zinc/33/25/68/207332568.db2.gz IBDAYFWYUTUEPH-UHFFFAOYSA-N -1 3 279.242 3.321 20 0 CGADHM Cc1conc1[N-]C(=O)c1sc(C)nc1-c1ccccc1 ZINC000362419670 381983218 /nfs/dbraw/zinc/98/32/18/381983218.db2.gz CZERHPCGUNCZQL-UHFFFAOYSA-N -1 3 299.355 3.089 20 0 CGADHM CCc1cc(C(=O)N(C)[C@@H](C)CCSC)ccc1[O-] ZINC000362805875 382121956 /nfs/dbraw/zinc/12/19/56/382121956.db2.gz NAFGQDGBDWQQID-NSHDSACASA-N -1 3 281.421 3.168 20 0 CGADHM CCc1cc(C(=O)N2CC[C@@H](C)[C@H](C)C2)ccc1[O-] ZINC000363002296 382175947 /nfs/dbraw/zinc/17/59/47/382175947.db2.gz TWGYQHVARLQWKJ-VXGBXAGGSA-N -1 3 261.365 3.073 20 0 CGADHM C[C@@H]1C[C@H](C(=O)Nc2ccc(C(C)(C)C)cc2[O-])CCO1 ZINC000334963189 207371647 /nfs/dbraw/zinc/37/16/47/207371647.db2.gz NUOBYWQZQRZMMI-VXGBXAGGSA-N -1 3 291.391 3.443 20 0 CGADHM COc1cccc(Cl)c1CN1CCC[C@@](C)(C(=O)[O-])C1 ZINC000228805351 542299027 /nfs/dbraw/zinc/29/90/27/542299027.db2.gz RWYJIAKWKHVLNP-OAHLLOKOSA-N -1 3 297.782 3.035 20 0 CGADHM CSCCON=C([O-])Nc1csc2ccccc12 ZINC000280998399 195063467 /nfs/dbraw/zinc/06/34/67/195063467.db2.gz KSMOPFHOVOEOFC-UHFFFAOYSA-N -1 3 282.390 3.317 20 0 CGADHM CSCCO[N-]C(=O)Nc1csc2ccccc12 ZINC000280998399 195063470 /nfs/dbraw/zinc/06/34/70/195063470.db2.gz KSMOPFHOVOEOFC-UHFFFAOYSA-N -1 3 282.390 3.317 20 0 CGADHM C[C@@H](NC(=O)c1csc(=O)[n-]1)c1cc2ccccc2o1 ZINC000348967472 218784606 /nfs/dbraw/zinc/78/46/06/218784606.db2.gz GBZGQMINDRPJNG-MRVPVSSYSA-N -1 3 288.328 3.086 20 0 CGADHM C[C@H]1C[C@H](CNC(=O)c2cc([O-])c3ccccc3c2)CCO1 ZINC000281536778 542384457 /nfs/dbraw/zinc/38/44/57/542384457.db2.gz KGVJLIPGWHLODV-QWHCGFSZSA-N -1 3 299.370 3.090 20 0 CGADHM CCCc1nc(C(=O)[N-]c2ncsc2C(C)C)co1 ZINC000289079521 197229098 /nfs/dbraw/zinc/22/90/98/197229098.db2.gz HKBHBZYLPUOTJT-UHFFFAOYSA-N -1 3 279.365 3.459 20 0 CGADHM CC(C)C[C@@H](C)CN1Cc2ccc(C(=O)[O-])cc2C1 ZINC000302357273 572516273 /nfs/dbraw/zinc/51/62/73/572516273.db2.gz NLNVUFFDXLPFRF-GFCCVEGCSA-N -1 3 261.365 3.383 20 0 CGADHM CCOc1cc(-c2noc([C@@](C)(CC)OC)n2)ccc1[O-] ZINC000288969837 197203610 /nfs/dbraw/zinc/20/36/10/197203610.db2.gz BMVMJANWVZVRLV-OAHLLOKOSA-N -1 3 292.335 3.113 20 0 CGADHM CC(F)(F)C(=O)[N-]Cc1ccc(Cl)cc1Cl ZINC000288539831 197107485 /nfs/dbraw/zinc/10/74/85/197107485.db2.gz KSQJIYBKRASUDK-UHFFFAOYSA-N -1 3 268.090 3.265 20 0 CGADHM CC(F)(F)C(=O)[N-][C@H]1CCc2cc(Cl)ccc21 ZINC000288508995 197098586 /nfs/dbraw/zinc/09/85/86/197098586.db2.gz INVPHQLPEHVYNG-JTQLQIEISA-N -1 3 259.683 3.099 20 0 CGADHM COCCC1(NC(=O)c2ccc(C(C)C)cc2[O-])CCC1 ZINC000436899710 533219374 /nfs/dbraw/zinc/21/93/74/533219374.db2.gz FIPMNIIRAKIEAC-UHFFFAOYSA-N -1 3 291.391 3.205 20 0 CGADHM CC(C)[C@@H]1CCN1C(=O)c1cc([O-])c2ccccc2c1 ZINC000350766170 542535921 /nfs/dbraw/zinc/53/59/21/542535921.db2.gz XJCZFTFTRSXWRC-HNNXBMFYSA-N -1 3 269.344 3.416 20 0 CGADHM [O-]c1ccc(CNCc2ccc(Cl)nc2)cc1Cl ZINC000733325041 572555621 /nfs/dbraw/zinc/55/56/21/572555621.db2.gz TVZOMMNTFLVRHE-UHFFFAOYSA-N -1 3 283.158 3.384 20 0 CGADHM Cc1ccc(NC(=O)[C@@H]2CCCC(F)(F)C2)c([O-])c1 ZINC000282746746 195697322 /nfs/dbraw/zinc/69/73/22/195697322.db2.gz SDLYZQUBYJIRCK-SNVBAGLBSA-N -1 3 269.291 3.465 20 0 CGADHM CO[C@](C)(CNC(=O)c1ccc(C(C)C)cc1[O-])C1CC1 ZINC000436639025 533336419 /nfs/dbraw/zinc/33/64/19/533336419.db2.gz BGPXRWQUXUNEJO-QGZVFWFLSA-N -1 3 291.391 3.061 20 0 CGADHM COc1ccc(C(=O)N[C@@H](C)[C@@H](C)c2ccccc2)c([O-])c1 ZINC000436574717 533339575 /nfs/dbraw/zinc/33/95/75/533339575.db2.gz LSXPZDDPHZQEJQ-OLZOCXBDSA-N -1 3 299.370 3.323 20 0 CGADHM COc1cc(-c2noc(-c3ccc(C)cc3)n2)ccc1[O-] ZINC000436786503 533456781 /nfs/dbraw/zinc/45/67/81/533456781.db2.gz DJUZZLZGGKETKJ-UHFFFAOYSA-N -1 3 282.299 3.426 20 0 CGADHM COc1ccc(C2(NC(=O)c3ccc([O-])c(C)c3)CC2)cc1 ZINC000436938144 533427255 /nfs/dbraw/zinc/42/72/55/533427255.db2.gz KRTCJTLMSWVTSZ-UHFFFAOYSA-N -1 3 297.354 3.128 20 0 CGADHM Cc1ccc(C(=O)Nc2cccc3ccn(C)c32)c([O-])c1 ZINC000436884767 533614594 /nfs/dbraw/zinc/61/45/94/533614594.db2.gz HJSAZKWFSHVALI-UHFFFAOYSA-N -1 3 280.327 3.445 20 0 CGADHM Cc1ccc(C(=O)Nc2cccc3c2CCO3)c([O-])c1C ZINC000436899118 533615049 /nfs/dbraw/zinc/61/50/49/533615049.db2.gz BJAPFEZQGGWHPP-UHFFFAOYSA-N -1 3 283.327 3.196 20 0 CGADHM Cc1ccc(CN2C[C@@H](C)C[C@H](C(=O)[O-])C2)c(Cl)c1 ZINC000399073886 542619775 /nfs/dbraw/zinc/61/97/75/542619775.db2.gz RDPQEMIXFPRZMV-AAEUAGOBSA-N -1 3 281.783 3.191 20 0 CGADHM CC[C@H]1CCC[C@H](NC(=O)c2ccc(OC)cc2[O-])C1 ZINC000068604218 392166864 /nfs/dbraw/zinc/16/68/64/392166864.db2.gz NPBWARYPXOTEKP-RYUDHWBXSA-N -1 3 277.364 3.099 20 0 CGADHM CCCOc1ccc(CNC(=O)c2ccc(C)cc2[O-])cc1 ZINC000059307157 392118349 /nfs/dbraw/zinc/11/83/49/392118349.db2.gz VIQHNBCIPJXFJJ-UHFFFAOYSA-N -1 3 299.370 3.419 20 0 CGADHM CCN(Cc1ccc(C(=O)[O-])cc1F)C1CCCC1 ZINC000062751937 392133330 /nfs/dbraw/zinc/13/33/30/392133330.db2.gz IBZMNTAWIKIGMR-UHFFFAOYSA-N -1 3 265.328 3.288 20 0 CGADHM C[C@H](CCOc1ccccc1)C(=O)Nc1ccccc1[O-] ZINC000072700399 392210760 /nfs/dbraw/zinc/21/07/60/392210760.db2.gz AETXEOVHEYNSGF-CYBMUJFWSA-N -1 3 285.343 3.436 20 0 CGADHM Cc1oc(C(C)C)nc1C(=O)Nc1cc(F)ccc1[O-] ZINC000285856924 392340245 /nfs/dbraw/zinc/34/02/45/392340245.db2.gz UTTQKUFMAUBCKF-UHFFFAOYSA-N -1 3 278.283 3.203 20 0 CGADHM CCc1ccc(C(=O)N2CCC=C(c3ccco3)C2)c([O-])c1 ZINC000285871591 392342824 /nfs/dbraw/zinc/34/28/24/392342824.db2.gz CXTBTMOHOMRJNG-UHFFFAOYSA-N -1 3 297.354 3.477 20 0 CGADHM COc1ccc(NC(=O)c2cc3nc(C)ccc3o2)c([O-])c1 ZINC000442698353 542666017 /nfs/dbraw/zinc/66/60/17/542666017.db2.gz DEVYSQWWLGETKY-UHFFFAOYSA-N -1 3 298.298 3.103 20 0 CGADHM Cc1ccc(OCCN(C)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000261943827 131179440 /nfs/dbraw/zinc/17/94/40/131179440.db2.gz LWGZBUREFTYJNT-UHFFFAOYSA-N -1 3 299.370 3.204 20 0 CGADHM O=C([O-])CCCN[C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000263142959 131283969 /nfs/dbraw/zinc/28/39/69/131283969.db2.gz JWJAYSNHBGJQRC-NSHDSACASA-N -1 3 293.260 3.274 20 0 CGADHM CCCCc1nnc([N-]C(=O)c2cccc(F)c2F)s1 ZINC000263694359 131310217 /nfs/dbraw/zinc/31/02/17/131310217.db2.gz SCWREYFQQZNCBB-UHFFFAOYSA-N -1 3 297.330 3.411 20 0 CGADHM C[C@@H]([N-]c1nc2ccccc2o1)C(=O)N1CCCC[C@H]1C ZINC000263747318 131322028 /nfs/dbraw/zinc/32/20/28/131322028.db2.gz DYXJHRSMTYGRSS-VXGBXAGGSA-N -1 3 287.363 3.029 20 0 CGADHM O=C([N-]OCC1CC1)Nc1ccc(OC(F)(F)F)cc1 ZINC000292643119 392508352 /nfs/dbraw/zinc/50/83/52/392508352.db2.gz KMYHCFCUSXEYQK-UHFFFAOYSA-N -1 3 290.241 3.048 20 0 CGADHM O=C(NCc1cc2ccccc2o1)c1cccc([O-])c1 ZINC000170215298 392612505 /nfs/dbraw/zinc/61/25/05/392612505.db2.gz VHBCNBVXLDUWLC-UHFFFAOYSA-N -1 3 267.284 3.068 20 0 CGADHM CC[C@H](NC(=O)c1cc([O-])ccc1Cl)C(F)(F)F ZINC000505499682 392668928 /nfs/dbraw/zinc/66/89/28/392668928.db2.gz DTLNQMSOWIKUIC-VIFPVBQESA-N -1 3 281.661 3.116 20 0 CGADHM [O-]c1cccc(CNC2CCCC2)c1Br ZINC000315743257 392669722 /nfs/dbraw/zinc/66/97/22/392669722.db2.gz QLVGRCXWFJEXFF-UHFFFAOYSA-N -1 3 270.170 3.187 20 0 CGADHM Cc1cccc(C(=O)NCC(C)(C)c2ccccc2)c1[O-] ZINC000302988712 392623156 /nfs/dbraw/zinc/62/31/56/392623156.db2.gz VUCJSRPYCZHKKF-UHFFFAOYSA-N -1 3 283.371 3.408 20 0 CGADHM CC1(C(=O)[O-])CCN(CCc2cccc(Cl)c2)CC1 ZINC000647464205 392727323 /nfs/dbraw/zinc/72/73/23/392727323.db2.gz ATJXYTSOSOYVJN-UHFFFAOYSA-N -1 3 281.783 3.069 20 0 CGADHM CC[C@@H](CC(F)F)C(=O)Nc1ccc([O-])cc1F ZINC000457692045 392734194 /nfs/dbraw/zinc/73/41/94/392734194.db2.gz GGPZWDKOISYVAX-ZETCQYMHSA-N -1 3 261.243 3.151 20 0 CGADHM O=C(/C=C/c1cncc([O-])c1)Nc1ccccc1Cl ZINC000179381427 392700036 /nfs/dbraw/zinc/70/00/36/392700036.db2.gz HWOXGOVYROTDIY-AATRIKPKSA-N -1 3 274.707 3.093 20 0 CGADHM CCC(C)(C)OCC(=O)Nc1cc(Cl)ccc1[O-] ZINC000457648701 392718711 /nfs/dbraw/zinc/71/87/11/392718711.db2.gz BWRORLWRHHWJPU-UHFFFAOYSA-N -1 3 271.744 3.189 20 0 CGADHM Cc1cc(C(=O)[N-]c2c(F)cc(F)cc2F)ns1 ZINC000335790092 392818025 /nfs/dbraw/zinc/81/80/25/392818025.db2.gz FLZYRMQYOHHVLJ-UHFFFAOYSA-N -1 3 272.251 3.121 20 0 CGADHM C[C@H]1CCN([C@@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)C1 ZINC000519763366 392892464 /nfs/dbraw/zinc/89/24/64/392892464.db2.gz WFGBVFSCZMMRPV-QPUJVOFHSA-N -1 3 288.174 3.461 20 0 CGADHM CC(C)(C)c1ccc(NC(=O)Cc2ccco2)c([O-])c1 ZINC000501982870 542724914 /nfs/dbraw/zinc/72/49/14/542724914.db2.gz YTGWTKLWEQJNRK-UHFFFAOYSA-N -1 3 273.332 3.464 20 0 CGADHM CCCOc1ccc(CNC(=O)c2cccc(C)c2[O-])cc1 ZINC000195638785 392971262 /nfs/dbraw/zinc/97/12/62/392971262.db2.gz PSQIRGXFOIFPEX-UHFFFAOYSA-N -1 3 299.370 3.419 20 0 CGADHM Cc1ccc([O-])c(CN2C[C@H](C)Cc3ccccc32)n1 ZINC000211420796 392985061 /nfs/dbraw/zinc/98/50/61/392985061.db2.gz JBRYMFCNOVMFDI-GFCCVEGCSA-N -1 3 268.360 3.294 20 0 CGADHM CCC[C@H](CC)NC(=O)c1cc([O-])ccc1Cl ZINC000233344201 393026573 /nfs/dbraw/zinc/02/65/73/393026573.db2.gz GKRAOTIPRISSTD-VIFPVBQESA-N -1 3 255.745 3.354 20 0 CGADHM Cc1cc(NCc2cc([O-])cc(F)c2)nn1[C@@H](C)C1CC1 ZINC000546728823 393071807 /nfs/dbraw/zinc/07/18/07/393071807.db2.gz OVJPUBKXDKPXGA-NSHDSACASA-N -1 3 289.354 3.041 20 0 CGADHM CCCCCOCC(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000469173143 393179526 /nfs/dbraw/zinc/17/95/26/393179526.db2.gz XSSDUWXDXMUJPT-ZDUSSCGKSA-N -1 3 291.391 3.439 20 0 CGADHM CCCN(CC(=O)[O-])Cc1cc2ccccc2s1 ZINC000263391575 393150008 /nfs/dbraw/zinc/15/00/08/393150008.db2.gz FKOSCFWDLJVWLJ-UHFFFAOYSA-N -1 3 263.362 3.198 20 0 CGADHM CCc1nccn1[C@H](C)CC(=O)Nc1ccc(C)cc1[O-] ZINC000648713915 393218024 /nfs/dbraw/zinc/21/80/24/393218024.db2.gz IOGSBLWQBHSVOW-GFCCVEGCSA-N -1 3 287.363 3.049 20 0 CGADHM COc1ccc([O-])c(C(=O)N2CCCC[C@@H]2C2CCC2)c1 ZINC000648705963 393215174 /nfs/dbraw/zinc/21/51/74/393215174.db2.gz VZOMDFPKRIEMCV-OAHLLOKOSA-N -1 3 289.375 3.196 20 0 CGADHM C[C@@H]1CCN(C(=O)C2SCCS2)c2c([O-])cccc21 ZINC000274346063 393285270 /nfs/dbraw/zinc/28/52/70/393285270.db2.gz GDZSSRQKOXAEKK-SECBINFHSA-N -1 3 295.429 3.039 20 0 CGADHM CCc1cccc(Cl)c1CNCc1ncccc1[O-] ZINC000355277241 393286738 /nfs/dbraw/zinc/28/67/38/393286738.db2.gz JHMKGSPREUHCKG-UHFFFAOYSA-N -1 3 276.767 3.293 20 0 CGADHM O=C(Nc1ccc2[nH]ccc2c1)c1ccc2[nH][n-]c(=O)c2c1 ZINC000646632718 393309429 /nfs/dbraw/zinc/30/94/29/393309429.db2.gz LNSGXPWCWDVOKM-UHFFFAOYSA-N -1 3 292.298 3.002 20 0 CGADHM Cc1n[nH]c(C)c1NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000646717472 393313277 /nfs/dbraw/zinc/31/32/77/393313277.db2.gz PKLSYVWFWJJISY-UHFFFAOYSA-N -1 3 299.252 3.003 20 0 CGADHM CCc1cc(C(=O)N(C)CCC(C)(C)C)ccc1[O-] ZINC000649028028 393325894 /nfs/dbraw/zinc/32/58/94/393325894.db2.gz JVRXMSCYBLHOPN-UHFFFAOYSA-N -1 3 263.381 3.463 20 0 CGADHM [O-]c1c(-c2nc([C@@H]3CCCN3)no2)ccc2ccccc21 ZINC000647147481 393351406 /nfs/dbraw/zinc/35/14/06/393351406.db2.gz SDDQEYNACMIQEM-ZDUSSCGKSA-N -1 3 281.315 3.020 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)c1cccc2c1CCCC2 ZINC000649229129 393377736 /nfs/dbraw/zinc/37/77/36/393377736.db2.gz OGMDXZBFAGTDQJ-UHFFFAOYSA-N -1 3 297.402 3.395 20 0 CGADHM CCc1ccc2nccc(N3CC[C@H](C(=O)[O-])[C@H](C)C3)c2c1 ZINC000649404884 393413098 /nfs/dbraw/zinc/41/30/98/393413098.db2.gz YKAADEFKHPYGQU-OCCSQVGLSA-N -1 3 298.386 3.344 20 0 CGADHM Cc1ccc2nccc(N3CC[C@@H](C(=O)[O-])[C@H](C)C3)c2c1 ZINC000649404293 393413127 /nfs/dbraw/zinc/41/31/27/393413127.db2.gz GBUNMVLHOZHXET-CHWSQXEVSA-N -1 3 284.359 3.090 20 0 CGADHM CC[C@H](C)[C@H](C)C(=O)Nc1n[n-]c(-c2ccccc2F)n1 ZINC000356514398 393470123 /nfs/dbraw/zinc/47/01/23/393470123.db2.gz PXTUKRXOVSKLKV-UWVGGRQHSA-N -1 3 290.342 3.232 20 0 CGADHM CC[C@@H](C)[C@@H](OC)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000356525699 393472933 /nfs/dbraw/zinc/47/29/33/393472933.db2.gz BNPHHKHBJMRILO-PRHODGIISA-N -1 3 271.744 3.045 20 0 CGADHM CSc1cccnc1C(=O)[N-]c1nnc(C(C)C)s1 ZINC000649555181 393483930 /nfs/dbraw/zinc/48/39/30/393483930.db2.gz BYMLTGXMXIOOLT-UHFFFAOYSA-N -1 3 294.405 3.031 20 0 CGADHM Cc1cccc(F)c1S(=O)(=O)[N-]C1(C)CCCCC1 ZINC000475579179 393408947 /nfs/dbraw/zinc/40/89/47/393408947.db2.gz GHBLFAXFUBBYKX-UHFFFAOYSA-N -1 3 285.384 3.135 20 0 CGADHM O=C(CCC1CCC1)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000488956440 393565640 /nfs/dbraw/zinc/56/56/40/393565640.db2.gz POHRBNZUFANZPL-UHFFFAOYSA-N -1 3 269.348 3.017 20 0 CGADHM CC1(CC(=O)Nc2ccc(OC(F)(F)F)cc2[O-])CC1 ZINC000430330440 393563113 /nfs/dbraw/zinc/56/31/13/393563113.db2.gz JBJSUCIIZXUXKW-UHFFFAOYSA-N -1 3 289.253 3.420 20 0 CGADHM COc1ccc(NC(=O)CSCCC(C)C)c([O-])c1 ZINC000443559210 393764103 /nfs/dbraw/zinc/76/41/03/393764103.db2.gz NRHBIZJLGHONNY-UHFFFAOYSA-N -1 3 283.393 3.119 20 0 CGADHM CC(C)CC(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000443565733 393764334 /nfs/dbraw/zinc/76/43/34/393764334.db2.gz IJGIAXRCRXYQQQ-UHFFFAOYSA-N -1 3 277.242 3.275 20 0 CGADHM C/C=C(/C)c1nc(-c2ccc([O-])c(OCC)c2)no1 ZINC000445427855 393793377 /nfs/dbraw/zinc/79/33/77/393793377.db2.gz SJGQMUOQRBJYIG-WTKPLQERSA-N -1 3 260.293 3.264 20 0 CGADHM Cc1cc(S(=O)(=O)[N-][C@H]2CCC[C@@H]2C)sc1Cl ZINC000499689852 393804087 /nfs/dbraw/zinc/80/40/87/393804087.db2.gz JONQLSISCHPDNN-CBAPKCEASA-N -1 3 293.841 3.177 20 0 CGADHM Cc1cc(S(=O)(=O)[N-][C@H]2CCC[C@H]2C)sc1Cl ZINC000499689851 393804254 /nfs/dbraw/zinc/80/42/54/393804254.db2.gz JONQLSISCHPDNN-APPZFPTMSA-N -1 3 293.841 3.177 20 0 CGADHM CO[C@H]1C[C@H](N(C)Cc2cccc([O-])c2Cl)C12CCC2 ZINC000449636420 393930691 /nfs/dbraw/zinc/93/06/91/393930691.db2.gz WDKYDWIXXZTDTB-KBPBESRZSA-N -1 3 295.810 3.435 20 0 CGADHM Cc1ccc(-c2nnc(NC(=O)CC(C)(C)C3CC3)[n-]2)o1 ZINC000450138629 393984038 /nfs/dbraw/zinc/98/40/38/393984038.db2.gz CGROTRPCCJAEAC-UHFFFAOYSA-N -1 3 288.351 3.138 20 0 CGADHM Cc1ccc(-c2n[n-]c(NC(=O)CC(C)(C)C3CC3)n2)o1 ZINC000450138629 393984040 /nfs/dbraw/zinc/98/40/40/393984040.db2.gz CGROTRPCCJAEAC-UHFFFAOYSA-N -1 3 288.351 3.138 20 0 CGADHM Cc1ccc(-c2nc(NC(=O)CC(C)(C)C3CC3)n[n-]2)o1 ZINC000450138629 393984042 /nfs/dbraw/zinc/98/40/42/393984042.db2.gz CGROTRPCCJAEAC-UHFFFAOYSA-N -1 3 288.351 3.138 20 0 CGADHM CC[C@@H]1CCCC[C@@H]1CNC(=O)Cc1ccc([O-])c(F)c1 ZINC000452423601 394059199 /nfs/dbraw/zinc/05/91/99/394059199.db2.gz POZSACGFNAKVPJ-ZIAGYGMSSA-N -1 3 293.382 3.406 20 0 CGADHM CC(C)=CCC[C@H](C)NC(=O)Cc1ccc([O-])c(F)c1 ZINC000452544585 394082439 /nfs/dbraw/zinc/08/24/39/394082439.db2.gz RWKRSHFIVKSBLL-LBPRGKRZSA-N -1 3 279.355 3.325 20 0 CGADHM CCC[C@@H](OC)c1noc(-c2cc(C)cc(OC)c2[O-])n1 ZINC000453191902 394201396 /nfs/dbraw/zinc/20/13/96/394201396.db2.gz BTZBTCLYZUCQAS-LLVKDONJSA-N -1 3 292.335 3.247 20 0 CGADHM CCO[C@@H]1CCCC[C@H]1NC(=O)c1ccc([O-])c(CC)c1 ZINC000456948723 394299975 /nfs/dbraw/zinc/29/99/75/394299975.db2.gz NAEICUMDRHZJHF-GDBMZVCRSA-N -1 3 291.391 3.032 20 0 CGADHM C[C@@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1ccsc1 ZINC000669917963 543133540 /nfs/dbraw/zinc/13/35/40/543133540.db2.gz QHCJYXJCUBBVTN-SNVBAGLBSA-N -1 3 298.367 3.081 20 0 CGADHM CC[C@@H](C(=O)[O-])N(C)Cc1c(Cl)ccc2cccnc21 ZINC000650517102 397862244 /nfs/dbraw/zinc/86/22/44/397862244.db2.gz XOALRYQZKCRACP-ZDUSSCGKSA-N -1 3 292.766 3.183 20 0 CGADHM CCc1cccc(C(=O)N2CCc3c2cccc3C)c1[O-] ZINC000674361271 543283234 /nfs/dbraw/zinc/28/32/34/543283234.db2.gz GTZHGTYSQCEQJT-UHFFFAOYSA-N -1 3 281.355 3.466 20 0 CGADHM Cc1cc2cc(CN3[C@H](C)CC[C@@H]3C(=O)[O-])oc2cc1C ZINC000650794692 397921150 /nfs/dbraw/zinc/92/11/50/397921150.db2.gz FBXHJMOULQOIKY-IUODEOHRSA-N -1 3 287.359 3.487 20 0 CGADHM CSc1nsc([N-]C(=O)c2cc3occc3s2)n1 ZINC000674672551 543293070 /nfs/dbraw/zinc/29/30/70/543293070.db2.gz VILGVDSSZSKFHR-UHFFFAOYSA-N -1 3 297.386 3.320 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)[C@H]2CC23CCC3)c1[O-] ZINC000675414475 543337923 /nfs/dbraw/zinc/33/79/23/543337923.db2.gz UITFKDPQTDKQBG-SNVBAGLBSA-N -1 3 265.740 3.483 20 0 CGADHM CC(C)c1ccc(C(=O)N(C)CCOC(C)(C)C)c([O-])c1 ZINC000676068932 543380561 /nfs/dbraw/zinc/38/05/61/543380561.db2.gz XCMFKHMSJTVYQO-UHFFFAOYSA-N -1 3 293.407 3.403 20 0 CGADHM O=C([N-]c1cnoc1)c1ccc(F)cc1C(F)(F)F ZINC000676166637 543384927 /nfs/dbraw/zinc/38/49/27/543384927.db2.gz BTGXSYPKFSSRNH-UHFFFAOYSA-N -1 3 274.173 3.085 20 0 CGADHM CC(C)CO[C@H](C)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000677211443 543440505 /nfs/dbraw/zinc/44/05/05/543440505.db2.gz ADYLXVVJKDMQBM-SECBINFHSA-N -1 3 271.744 3.045 20 0 CGADHM Cc1cc(C(=O)Nc2cc(Cl)cc(C)c2[O-])c(C)nn1 ZINC000678091239 543482908 /nfs/dbraw/zinc/48/29/08/543482908.db2.gz TZTLFTBPPBYKDG-UHFFFAOYSA-N -1 3 291.738 3.013 20 0 CGADHM CCc1cccc(C(=O)N2[C@H](C)CCC[C@H]2C)c1[O-] ZINC000678310789 543513558 /nfs/dbraw/zinc/51/35/58/543513558.db2.gz QGBAGKQOTFPVDK-VXGBXAGGSA-N -1 3 261.365 3.358 20 0 CGADHM COc1ccc2c(c1)N(C(=O)c1cccc([O-])c1)CCCC2 ZINC000357417323 286409073 /nfs/dbraw/zinc/40/90/73/286409073.db2.gz GDZUUHAWZMLQLG-UHFFFAOYSA-N -1 3 297.354 3.384 20 0 CGADHM COc1cccc(C(=O)N2CCCC23CCCCC3)c1[O-] ZINC000336143926 286440312 /nfs/dbraw/zinc/44/03/12/286440312.db2.gz XMAXEVLAMNEZFS-UHFFFAOYSA-N -1 3 289.375 3.340 20 0 CGADHM COc1ccc(C(=O)N(C)[C@H]2CCC[C@H](C)C2)c([O-])c1 ZINC000042355416 286894015 /nfs/dbraw/zinc/89/40/15/286894015.db2.gz MPYOMBLTUMZBMK-RYUDHWBXSA-N -1 3 277.364 3.052 20 0 CGADHM O=C(CCCn1cccc1)Nc1cc(Cl)ccc1[O-] ZINC000049470501 286925697 /nfs/dbraw/zinc/92/56/97/286925697.db2.gz ZZXBVWFLDKIGAO-UHFFFAOYSA-N -1 3 278.739 3.266 20 0 CGADHM C[C@H](c1ccccc1F)N(C)C(=O)c1ccccc1[O-] ZINC000063240159 286963054 /nfs/dbraw/zinc/96/30/54/286963054.db2.gz YPFNBVJVWVPSBV-LLVKDONJSA-N -1 3 273.307 3.365 20 0 CGADHM O=C(/C=C/c1ccc(F)cc1)Nc1ccc([O-])cc1F ZINC000070333059 286988335 /nfs/dbraw/zinc/98/83/35/286988335.db2.gz PJFLWQNGDUMBAG-FPYGCLRLSA-N -1 3 275.254 3.322 20 0 CGADHM COc1cc(C)ccc1NC(=O)c1cccc(C)c1[O-] ZINC000079153461 287054444 /nfs/dbraw/zinc/05/44/44/287054444.db2.gz HUDPXUPVYBYSRN-UHFFFAOYSA-N -1 3 271.316 3.270 20 0 CGADHM CC[C@@H]1CCCN1C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436549577 287056809 /nfs/dbraw/zinc/05/68/09/287056809.db2.gz XOUJIRRLYWZJPN-GFCCVEGCSA-N -1 3 289.375 3.120 20 0 CGADHM O=C(Nc1cc(C(F)(F)F)ccc1[O-])c1cccnc1 ZINC000081458710 287073205 /nfs/dbraw/zinc/07/32/05/287073205.db2.gz WQXOKMYIYBJGPI-UHFFFAOYSA-N -1 3 282.221 3.058 20 0 CGADHM Cc1ccc(NC(=O)c2cc(F)c(F)c(F)c2)c([O-])c1 ZINC000063007727 165029694 /nfs/dbraw/zinc/02/96/94/165029694.db2.gz LBPYIVQYIURMKC-UHFFFAOYSA-N -1 3 281.233 3.370 20 0 CGADHM CCCOc1cccc(CN[C@H](C(=O)[O-])c2ccccc2)c1 ZINC000084854080 165176699 /nfs/dbraw/zinc/17/66/99/165176699.db2.gz PJXNOHGQKUUJCK-KRWDZBQOSA-N -1 3 299.370 3.391 20 0 CGADHM Cc1ccc([O-])c(CNc2ccc3ncccc3c2)n1 ZINC000091995329 165277708 /nfs/dbraw/zinc/27/77/08/165277708.db2.gz RFAZTKOZJNVLTI-UHFFFAOYSA-N -1 3 265.316 3.256 20 0 CGADHM Cc1cccc([C@H]2CCCN2C(=O)c2ccccc2[O-])n1 ZINC000092759287 165309938 /nfs/dbraw/zinc/30/99/38/165309938.db2.gz OYAJVODBCNJOTE-OAHLLOKOSA-N -1 3 282.343 3.073 20 0 CGADHM Cc1ccc([O-])c(-c2nc(Cc3ccccc3)no2)c1 ZINC000109037014 287127286 /nfs/dbraw/zinc/12/72/86/287127286.db2.gz KCYFZCNTEVZJSI-UHFFFAOYSA-N -1 3 266.300 3.341 20 0 CGADHM COc1cccc(-c2noc(-c3cccc(C)c3[O-])n2)c1 ZINC000109037223 287127337 /nfs/dbraw/zinc/12/73/37/287127337.db2.gz PZYFVKIKUTYVRK-UHFFFAOYSA-N -1 3 282.299 3.426 20 0 CGADHM COc1cccc(-c2nc(-c3ccccc3F)no2)c1[O-] ZINC000111688210 287136191 /nfs/dbraw/zinc/13/61/91/287136191.db2.gz OARQSUMAHVSWAI-UHFFFAOYSA-N -1 3 286.262 3.257 20 0 CGADHM Cc1ccc(C(=O)N2CCCC[C@H]2C(C)C)c([O-])c1 ZINC000117199346 287159090 /nfs/dbraw/zinc/15/90/90/287159090.db2.gz BKYODOIBQLYJHT-AWEZNQCLSA-N -1 3 261.365 3.351 20 0 CGADHM Cc1cccc(C(=O)Nc2cc(Cl)cc(C)c2[O-])n1 ZINC000116979749 287158496 /nfs/dbraw/zinc/15/84/96/287158496.db2.gz QUDOZVVYUHMLNO-UHFFFAOYSA-N -1 3 276.723 3.310 20 0 CGADHM Cc1ccc(C(=O)N2CC[C@@H](C)C[C@@H](C)C2)c([O-])c1 ZINC000119315812 287167804 /nfs/dbraw/zinc/16/78/04/287167804.db2.gz ZQVDPULTNHHUFA-CHWSQXEVSA-N -1 3 261.365 3.209 20 0 CGADHM Cc1cccc(/C=C/C(=O)Nc2ccc([O-])cc2F)c1 ZINC000119500639 287170440 /nfs/dbraw/zinc/17/04/40/287170440.db2.gz LMLZCUACZCFADU-VMPITWQZSA-N -1 3 271.291 3.492 20 0 CGADHM CCCC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000005419938 170097404 /nfs/dbraw/zinc/09/74/04/170097404.db2.gz PKMSUYNGQLYGRP-UHFFFAOYSA-N -1 3 282.192 3.072 20 0 CGADHM CC[C@H](C)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000125372462 287243592 /nfs/dbraw/zinc/24/35/92/287243592.db2.gz KQJIZMGWIBBSFI-ZETCQYMHSA-N -1 3 261.243 3.396 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CC[C@@H](Cc3ccccc3)C2)c1 ZINC000126059134 287256672 /nfs/dbraw/zinc/25/66/72/287256672.db2.gz PVMPOUOBPOFQQR-INIZCTEOSA-N -1 3 295.382 3.405 20 0 CGADHM O=C(c1ccccc1[O-])N1CC[C@H]2CCCC[C@H]2C1 ZINC000035219432 172060647 /nfs/dbraw/zinc/06/06/47/172060647.db2.gz MEKDEGLWMYPAEO-OLZOCXBDSA-N -1 3 259.349 3.045 20 0 CGADHM Cc1oc(CN2[C@H](C)CCC[C@H]2C)cc1C(=O)[O-] ZINC000035432211 172200760 /nfs/dbraw/zinc/20/07/60/172200760.db2.gz BYEMQNCBMURTDU-NXEZZACHSA-N -1 3 251.326 3.049 20 0 CGADHM Cc1ccc(NC(=O)c2cc(F)ccc2F)c([O-])c1 ZINC000040418502 174256502 /nfs/dbraw/zinc/25/65/02/174256502.db2.gz WPXUHARVNXHNSP-UHFFFAOYSA-N -1 3 263.243 3.231 20 0 CGADHM Cc1cccc(O[C@H](C)C(=O)Nc2ccc([O-])cc2F)c1 ZINC000183264100 292573016 /nfs/dbraw/zinc/57/30/16/292573016.db2.gz IEOQFKFKLWJCCJ-LLVKDONJSA-N -1 3 289.306 3.246 20 0 CGADHM Cc1ccc(C[C@@H](C)N(C)C(=O)c2ccccc2[O-])cc1 ZINC000129019588 287322824 /nfs/dbraw/zinc/32/28/24/287322824.db2.gz OIMJRNFWXYXHDN-CQSZACIVSA-N -1 3 283.371 3.404 20 0 CGADHM O=C(Nc1cccc([O-])c1F)c1ccc2[nH]ccc2c1 ZINC000129348720 287329219 /nfs/dbraw/zinc/32/92/19/287329219.db2.gz MPXADYHUDDMROE-UHFFFAOYSA-N -1 3 270.263 3.265 20 0 CGADHM COc1ccc(C)cc1COc1ccc2c([O-])coc2c1 ZINC000057524101 416483541 /nfs/dbraw/zinc/48/35/41/416483541.db2.gz PISICQCLMXYISI-UHFFFAOYSA-N -1 3 284.311 3.158 20 0 CGADHM CC1(C(=O)[O-])CCN(Cc2ccc(Cl)cc2)CC1 ZINC000062844393 416487293 /nfs/dbraw/zinc/48/72/93/416487293.db2.gz IXGGEFHAXWVHKI-UHFFFAOYSA-N -1 3 267.756 3.027 20 0 CGADHM O=C([O-])C[C@H]1CCCCN1Cc1sccc1Cl ZINC000304539787 416527284 /nfs/dbraw/zinc/52/72/84/416527284.db2.gz KIOLBYIYNGDEBO-SECBINFHSA-N -1 3 273.785 3.231 20 0 CGADHM CCOCCC1(C(=O)Nc2cccc([O-])c2F)CCCC1 ZINC000129611011 287336184 /nfs/dbraw/zinc/33/61/84/287336184.db2.gz WXFDIOHZIIIXAR-UHFFFAOYSA-N -1 3 295.354 3.457 20 0 CGADHM CC[C@H](NC(=O)c1cc(C)ccc1[O-])c1c(C)noc1C ZINC000129708295 287337562 /nfs/dbraw/zinc/33/75/62/287337562.db2.gz ZRDPMWRUZGEAOA-ZDUSSCGKSA-N -1 3 288.347 3.187 20 0 CGADHM COc1cccc(C(=O)NCc2cc3ccccc3o2)c1[O-] ZINC000130135070 287345905 /nfs/dbraw/zinc/34/59/05/287345905.db2.gz VFLDOKKEJXUWJG-UHFFFAOYSA-N -1 3 297.310 3.077 20 0 CGADHM CC(C)(CCNC(=O)c1cccc([O-])c1)c1ccccc1 ZINC000679631835 543652555 /nfs/dbraw/zinc/65/25/55/543652555.db2.gz GXATZQPCOGUFNH-UHFFFAOYSA-N -1 3 283.371 3.490 20 0 CGADHM Cc1cccc(C(=O)NCc2cccc3cccnc32)c1[O-] ZINC000130279045 287350073 /nfs/dbraw/zinc/35/00/73/287350073.db2.gz OGDJUASOQGDRJO-UHFFFAOYSA-N -1 3 292.338 3.179 20 0 CGADHM C[C@H]1CCN(C(=O)c2ccc3c(c2[O-])CCCC3)C[C@@H]1F ZINC000680456788 543710851 /nfs/dbraw/zinc/71/08/51/543710851.db2.gz GSDYLAUGQJHKMW-NHYWBVRUSA-N -1 3 291.366 3.091 20 0 CGADHM Cc1csc2[n-]c(COc3ccccc3C)nc(=O)c12 ZINC000130614562 287359580 /nfs/dbraw/zinc/35/95/80/287359580.db2.gz ZIOKRMBEKSNDNW-UHFFFAOYSA-N -1 3 286.356 3.180 20 0 CGADHM C[C@@H]1CCN(C(=O)[C@H]2CC23CCC3)c2c([O-])cccc21 ZINC000681088951 543763587 /nfs/dbraw/zinc/76/35/87/543763587.db2.gz XFSYPGPWBWVROE-DGCLKSJQSA-N -1 3 271.360 3.423 20 0 CGADHM Cc1nsc(C)c1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000334977608 225381930 /nfs/dbraw/zinc/38/19/30/225381930.db2.gz XYLPPJXEXKBVPZ-UHFFFAOYSA-N -1 3 282.752 3.371 20 0 CGADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCC2(CC2)CC1 ZINC000682497993 543849103 /nfs/dbraw/zinc/84/91/03/543849103.db2.gz LAYITCXJQFPDMK-UHFFFAOYSA-N -1 3 291.366 3.257 20 0 CGADHM C[C@H](N[C@H]1CCCN(C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000736662724 572802843 /nfs/dbraw/zinc/80/28/43/572802843.db2.gz SIYWWLQXZXXQEV-GWCFXTLKSA-N -1 3 282.771 3.133 20 0 CGADHM O=C([O-])[C@@H](CC1CCCC1)NCc1ccc(F)cc1F ZINC000683173409 543900978 /nfs/dbraw/zinc/90/09/78/543900978.db2.gz LZJQLKZEHJLKKN-CQSZACIVSA-N -1 3 283.318 3.088 20 0 CGADHM COc1ccc([C@@H](CC(=O)[O-])NCc2ccccc2C)cc1 ZINC000683171625 543901184 /nfs/dbraw/zinc/90/11/84/543901184.db2.gz NNCAFLDDDYWTKF-QGZVFWFLSA-N -1 3 299.370 3.309 20 0 CGADHM Cc1ccnc(-c2noc(-c3cc4ccsc4[n-]3)n2)n1 ZINC000683923459 543954373 /nfs/dbraw/zinc/95/43/73/543954373.db2.gz PKIUPWBGROHRKT-UHFFFAOYSA-N -1 3 283.316 3.045 20 0 CGADHM Cc1ccccc1[C@H](C)N(C)Cc1ncccc1[O-] ZINC000685409759 544064665 /nfs/dbraw/zinc/06/46/65/544064665.db2.gz YBQDEXXBERSXSF-ZDUSSCGKSA-N -1 3 256.349 3.289 20 0 CGADHM O=C([N-]c1ccncc1F)c1csc(-c2ccoc2)n1 ZINC000132373531 287402491 /nfs/dbraw/zinc/40/24/91/287402491.db2.gz YPCCGAFLEVYUOQ-UHFFFAOYSA-N -1 3 289.291 3.190 20 0 CGADHM Cc1ccccc1C1(C(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC000132881791 287412461 /nfs/dbraw/zinc/41/24/61/287412461.db2.gz ASHCEJGRZKMWIO-UHFFFAOYSA-N -1 3 299.345 3.188 20 0 CGADHM Cc1ccncc1[C@@H](C)NC(=O)c1cc([O-])ccc1Cl ZINC000685812381 544097960 /nfs/dbraw/zinc/09/79/60/544097960.db2.gz UUHTZBVAWXSVJY-SNVBAGLBSA-N -1 3 290.750 3.240 20 0 CGADHM CCc1noc(C)c1[N-]C(=O)c1cccc(F)c1F ZINC000133149358 287417685 /nfs/dbraw/zinc/41/76/85/287417685.db2.gz MSYXBCKZICCHHF-UHFFFAOYSA-N -1 3 266.247 3.076 20 0 CGADHM Cc1cccc2c1ncc(C)c2N1CC[C@@](C)(C(=O)[O-])C1 ZINC000263400795 292617957 /nfs/dbraw/zinc/61/79/57/292617957.db2.gz IWJCBCVFSLAGBL-QGZVFWFLSA-N -1 3 284.359 3.153 20 0 CGADHM Cc1nc(C)c([C@H](C)N(C)CC2(CC(=O)[O-])CC2)s1 ZINC000652410721 418965245 /nfs/dbraw/zinc/96/52/45/418965245.db2.gz YWGOLBFZRJOXJI-JTQLQIEISA-N -1 3 282.409 3.008 20 0 CGADHM CC[C@@]1(C)CCN([C@@H](C)c2cc(C(=O)[O-])c(C)o2)C1 ZINC000652431658 418966525 /nfs/dbraw/zinc/96/65/25/418966525.db2.gz HCCBSIUHEVMNER-BONVTDFDSA-N -1 3 265.353 3.469 20 0 CGADHM Cc1oc([C@H](C)N2CCS[C@H](C(C)C)C2)cc1C(=O)[O-] ZINC000652439185 418967763 /nfs/dbraw/zinc/96/77/63/418967763.db2.gz ZXRLTXXQTWOUOK-HZMBPMFUSA-N -1 3 297.420 3.421 20 0 CGADHM CN(CCC1CC1)Cc1cc(C(=O)[O-])ccc1Cl ZINC000652441432 418967924 /nfs/dbraw/zinc/96/79/24/418967924.db2.gz LWLYLVFBYBICJX-UHFFFAOYSA-N -1 3 267.756 3.270 20 0 CGADHM O=C([O-])CCN(CC1=CCCC1)Cc1ccc(F)c(F)c1 ZINC000652474525 418972419 /nfs/dbraw/zinc/97/24/19/418972419.db2.gz GGYINUZQTLJYDV-UHFFFAOYSA-N -1 3 295.329 3.352 20 0 CGADHM CC(C)c1nnc([N-][C@@H](c2ccccc2)[C@H](O)C(C)C)o1 ZINC000664529615 418972931 /nfs/dbraw/zinc/97/29/31/418972931.db2.gz CLNVBTUPEZHHCR-UONOGXRCSA-N -1 3 289.379 3.363 20 0 CGADHM CC/C=C\CCN1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000652469968 418973501 /nfs/dbraw/zinc/97/35/01/418973501.db2.gz KBJKHDIJVIGFLA-ABCZVMIZSA-N -1 3 259.349 3.027 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)c2cncc(F)c2)c1[O-] ZINC000150798750 287499586 /nfs/dbraw/zinc/49/95/86/287499586.db2.gz ACIYSSZULCYTPA-UHFFFAOYSA-N -1 3 280.686 3.140 20 0 CGADHM Cc1ccc(CN(CCc2ccccc2C(=O)[O-])C2CC2)o1 ZINC000652387654 418959302 /nfs/dbraw/zinc/95/93/02/418959302.db2.gz HVKSAKPTRQOOOM-UHFFFAOYSA-N -1 3 299.370 3.493 20 0 CGADHM CCCC[C@](C)(F)c1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000664876215 419018307 /nfs/dbraw/zinc/01/83/07/419018307.db2.gz DYJLENRQFVZIOQ-AWEZNQCLSA-N -1 3 289.314 3.383 20 0 CGADHM CCc1cc(C(=O)N[C@@H](CC)[C@@H]2CCCCO2)ccc1[O-] ZINC000655350013 419042115 /nfs/dbraw/zinc/04/21/15/419042115.db2.gz WJQPQKFGTJYEDM-HOCLYGCPSA-N -1 3 291.391 3.032 20 0 CGADHM CCO[C@H](CC)c1noc(-c2cccc(CC)c2[O-])n1 ZINC000665040959 419043317 /nfs/dbraw/zinc/04/33/17/419043317.db2.gz TUHDUPMSVYTWOL-GFCCVEGCSA-N -1 3 276.336 3.492 20 0 CGADHM CCc1cccc(C(=O)N2CCC23CCCC3)c1[O-] ZINC000652572086 418982028 /nfs/dbraw/zinc/98/20/28/418982028.db2.gz WFSXIYXFSAAHRP-UHFFFAOYSA-N -1 3 259.349 3.113 20 0 CGADHM O=C([O-])c1ccc(CN2CCC[C@H](CCF)C2)cc1F ZINC000659789403 418990604 /nfs/dbraw/zinc/99/06/04/418990604.db2.gz FAACNNJKMFNKQY-LLVKDONJSA-N -1 3 283.318 3.096 20 0 CGADHM CC(C)=CCCN1CCc2c(cccc2C(=O)[O-])C1 ZINC000659792308 418990934 /nfs/dbraw/zinc/99/09/34/418990934.db2.gz UYZUNHRUVGNENQ-UHFFFAOYSA-N -1 3 259.349 3.099 20 0 CGADHM Cc1c2ccccc2nc(CN2CC[C@@H]3C[C@@H]3C2)c1C(=O)[O-] ZINC000659799823 418993119 /nfs/dbraw/zinc/99/31/19/418993119.db2.gz IZFKZZXYEUAOBZ-CHWSQXEVSA-N -1 3 296.370 3.083 20 0 CGADHM Cc1cc(CN(C)C[C@@H]2CCc3ccccc32)oc1C(=O)[O-] ZINC000659803025 418995486 /nfs/dbraw/zinc/99/54/86/418995486.db2.gz CUTAEOPVBBKGMH-AWEZNQCLSA-N -1 3 299.370 3.448 20 0 CGADHM CN(Cc1occc1C(=O)[O-])C[C@H]1CCc2ccccc21 ZINC000659803666 418996426 /nfs/dbraw/zinc/99/64/26/418996426.db2.gz LTEQYCMOZJQCNI-CYBMUJFWSA-N -1 3 285.343 3.140 20 0 CGADHM CSc1cccnc1[N-]C(=O)c1cc(C(C)(C)C)[nH]n1 ZINC000652875927 418997370 /nfs/dbraw/zinc/99/73/70/418997370.db2.gz CHAGLWWKENGYKT-UHFFFAOYSA-N -1 3 290.392 3.076 20 0 CGADHM CCc1ccc(C(=O)Nc2cnccc2CC)c([O-])c1 ZINC000652897666 419000843 /nfs/dbraw/zinc/00/08/43/419000843.db2.gz ZZYPLDVFAQUYLV-UHFFFAOYSA-N -1 3 270.332 3.164 20 0 CGADHM Cc1cnc(CCNCc2cccc([O-])c2Cl)c(C)c1 ZINC000655829620 419111032 /nfs/dbraw/zinc/11/10/32/419111032.db2.gz PDTDNQJONOBAKE-UHFFFAOYSA-N -1 3 290.794 3.390 20 0 CGADHM CC[C@H](NCc1cccc([O-])c1Cl)[C@H]1CCCCO1 ZINC000655855646 419123692 /nfs/dbraw/zinc/12/36/92/419123692.db2.gz FUCQKQNJKBGIRO-GXTWGEPZSA-N -1 3 283.799 3.483 20 0 CGADHM CCc1cccc(C(=O)N(CCOC)c2ccccc2)c1[O-] ZINC000654024479 419131396 /nfs/dbraw/zinc/13/13/96/419131396.db2.gz HYXPQQBTWUSOGG-UHFFFAOYSA-N -1 3 299.370 3.248 20 0 CGADHM Cc1ccc(C(=O)N2CC[C@H](C3CCC3)C2)c([O-])c1C ZINC000665679067 419148306 /nfs/dbraw/zinc/14/83/06/419148306.db2.gz HTYMXRMOXSAZGF-AWEZNQCLSA-N -1 3 273.376 3.271 20 0 CGADHM C1CC1[C@H]([N-]c1nc(C2CCC2)no1)[C@@H]1CCCCO1 ZINC000656206478 419149405 /nfs/dbraw/zinc/14/94/05/419149405.db2.gz FEFUQYMYGAMMLG-STQMWFEESA-N -1 3 277.368 3.097 20 0 CGADHM C1CC1[C@@H]([N-]c1nc(C2CCC2)no1)[C@H]1CCCCO1 ZINC000656206466 419149743 /nfs/dbraw/zinc/14/97/43/419149743.db2.gz FEFUQYMYGAMMLG-CHWSQXEVSA-N -1 3 277.368 3.097 20 0 CGADHM CCCN(Cc1ccc(C)cc1)C(=O)Cc1cncc([O-])c1 ZINC000665921913 419171679 /nfs/dbraw/zinc/17/16/79/419171679.db2.gz IZNAUBYVJORRNS-UHFFFAOYSA-N -1 3 298.386 3.077 20 0 CGADHM Cc1cc(=O)[n-]c(C(C)(C)NCCCCc2ccccc2)n1 ZINC000660751673 419189314 /nfs/dbraw/zinc/18/93/14/419189314.db2.gz OTXSRZRQXVMMAI-UHFFFAOYSA-N -1 3 299.418 3.338 20 0 CGADHM Cc1cc(=O)[n-]c(C(C)(C)NCc2cc3ccccc3o2)n1 ZINC000660746590 419189478 /nfs/dbraw/zinc/18/94/78/419189478.db2.gz DCQYRAZHYZLBQB-UHFFFAOYSA-N -1 3 297.358 3.262 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCC(C3CCC3)CC2)n1 ZINC000661374143 419253971 /nfs/dbraw/zinc/25/39/71/419253971.db2.gz KFEPOFUZFMWIJJ-GFCCVEGCSA-N -1 3 275.396 3.064 20 0 CGADHM Cc1oc(CN(C)CCCC2CCC2)cc1C(=O)[O-] ZINC000656754692 419209559 /nfs/dbraw/zinc/20/95/59/419209559.db2.gz BMXUXOPTUARECJ-UHFFFAOYSA-N -1 3 265.353 3.298 20 0 CGADHM O=C([O-])[C@@H](c1ccccc1F)N1CCC(C2CCC2)CC1 ZINC000656758326 419210831 /nfs/dbraw/zinc/21/08/31/419210831.db2.gz FRYZISLUODDJTK-MRXNPFEDSA-N -1 3 291.366 3.464 20 0 CGADHM CC(C)(C)c1ccc(S(=O)(=O)[N-][C@@]23C[C@@H]2CCC3)s1 ZINC000657052224 419226463 /nfs/dbraw/zinc/22/64/63/419226463.db2.gz NTEJTFSLSRCUEA-HZMBPMFUSA-N -1 3 299.461 3.267 20 0 CGADHM COc1cc(C)c(C)cc1NCc1nc(C)ccc1[O-] ZINC000657580809 419309069 /nfs/dbraw/zinc/30/90/69/419309069.db2.gz VOCYLEHFZIBTGJ-UHFFFAOYSA-N -1 3 272.348 3.333 20 0 CGADHM [O-]c1cc(F)cc(CN2CCC(OC3CCC3)CC2)c1 ZINC000418095680 228033311 /nfs/dbraw/zinc/03/33/11/228033311.db2.gz UKMRGZSLZQEUTA-UHFFFAOYSA-N -1 3 279.355 3.065 20 0 CGADHM [O-]c1coc2cc(OCCCCC(F)(F)F)ccc12 ZINC000664134806 419835406 /nfs/dbraw/zinc/83/54/06/419835406.db2.gz IIPVDRMBVDOSET-UHFFFAOYSA-N -1 3 274.238 3.373 20 0 CGADHM C[C@@H]1CCC[C@@H]1CC(=O)N1CCCc2cccc([O-])c21 ZINC000187725158 260229869 /nfs/dbraw/zinc/22/98/69/260229869.db2.gz MWHWPBVSDLHSCB-TZMCWYRMSA-N -1 3 273.376 3.498 20 0 CGADHM CCOc1ccc(CN(C)[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000032182460 270027173 /nfs/dbraw/zinc/02/71/73/270027173.db2.gz GFPFXYHRRUFRGQ-KRWDZBQOSA-N -1 3 299.370 3.343 20 0 CGADHM CC(C)(C)CC[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000032435734 270027268 /nfs/dbraw/zinc/02/72/68/270027268.db2.gz VRNWGRHBIYORKS-UHFFFAOYSA-N -1 3 293.791 3.194 20 0 CGADHM Cc1cccnc1/C=C/C(=O)N1CCCc2cccc([O-])c21 ZINC000184260985 270057854 /nfs/dbraw/zinc/05/78/54/270057854.db2.gz RGTZIUBDNQEWAC-MDZDMXLPSA-N -1 3 294.354 3.088 20 0 CGADHM Cc1ccc(NC(=O)[C@H]2COc3cc(C)c(C)cc32)c([O-])c1 ZINC000184740330 270059989 /nfs/dbraw/zinc/05/99/89/270059989.db2.gz DAFAAVAHIONKDK-AWEZNQCLSA-N -1 3 297.354 3.432 20 0 CGADHM CCc1ccc(CNC(=O)c2cc(C)ccc2[O-])s1 ZINC000222633838 270086093 /nfs/dbraw/zinc/08/60/93/270086093.db2.gz OAXDTISVPISXKC-UHFFFAOYSA-N -1 3 275.373 3.255 20 0 CGADHM [O-]c1cccc(CN[C@@H]2COc3ccccc3C2)c1Cl ZINC000328236956 270095359 /nfs/dbraw/zinc/09/53/59/270095359.db2.gz PZVAQOOPQCMMQI-ZDUSSCGKSA-N -1 3 289.762 3.139 20 0 CGADHM C[C@H](C1CC1)N(C(=O)Cc1ccc([O-])cc1Cl)C1CC1 ZINC000357198971 266264335 /nfs/dbraw/zinc/26/43/35/266264335.db2.gz BJRGEMXDXNWTAJ-SNVBAGLBSA-N -1 3 293.794 3.378 20 0 CGADHM C[C@@H]1C[C@@H](CCNC(=O)c2csc(=O)[n-]2)CC(C)(C)C1 ZINC000527184066 270126374 /nfs/dbraw/zinc/12/63/74/270126374.db2.gz LQJKMDFVIHZQMP-GHMZBOCLSA-N -1 3 296.436 3.431 20 0 CGADHM O=C(NCCCC1CC1)c1cc([O-])cc(Br)c1 ZINC000528614453 270168921 /nfs/dbraw/zinc/16/89/21/270168921.db2.gz XHLIMAWCQKWZIZ-UHFFFAOYSA-N -1 3 298.180 3.075 20 0 CGADHM CCC[C@H](OCC)C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000528905160 270175747 /nfs/dbraw/zinc/17/57/47/270175747.db2.gz JLRZXYFXGYZFJH-LBPRGKRZSA-N -1 3 285.771 3.498 20 0 CGADHM CCc1ccccc1CCN1CCc2occc2[C@@H]1C(=O)[O-] ZINC000530166811 270195154 /nfs/dbraw/zinc/19/51/54/270195154.db2.gz QQUQDWVTELXFJA-QGZVFWFLSA-N -1 3 299.370 3.069 20 0 CGADHM O=C([O-])[C@H]1c2ccoc2CCN1C[C@@H]1CCCCC1(F)F ZINC000530165542 270195470 /nfs/dbraw/zinc/19/54/70/270195470.db2.gz RQDMRTPXHMPVJQ-GXFFZTMASA-N -1 3 299.317 3.089 20 0 CGADHM CCC[C@H](C)N1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC000530169150 270195496 /nfs/dbraw/zinc/19/54/96/270195496.db2.gz QWFAMZQJVUPVOP-JTQLQIEISA-N -1 3 265.328 3.071 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)[C@H]2C[C@H]2C(C)C)c1-c1ccc(C)cc1 ZINC000530273843 270198072 /nfs/dbraw/zinc/19/80/72/270198072.db2.gz RLIAEIZVFRZRMS-GJZGRUSLSA-N -1 3 297.402 3.346 20 0 CGADHM CCc1cccc(C(=O)Nc2nc(C)c(C)s2)c1[O-] ZINC000530719252 270202419 /nfs/dbraw/zinc/20/24/19/270202419.db2.gz LHHUJVCFLNEBMS-UHFFFAOYSA-N -1 3 276.361 3.280 20 0 CGADHM C[C@@H]1CCC[C@@H](OCC(=O)Nc2cc(F)ccc2[O-])C1 ZINC000530895861 270203555 /nfs/dbraw/zinc/20/35/55/270203555.db2.gz JEBQIBBXHVGNPW-ZYHUDNBSSA-N -1 3 281.327 3.065 20 0 CGADHM CCc1cccc(C(=O)N2CCc3cc(OC)ccc32)c1[O-] ZINC000531432104 270206596 /nfs/dbraw/zinc/20/65/96/270206596.db2.gz ZYXSGEHJPGFHMN-UHFFFAOYSA-N -1 3 297.354 3.166 20 0 CGADHM CCc1cccc(C(=O)N[C@@H]2CCCC(F)(F)C2)c1[O-] ZINC000532271476 270214626 /nfs/dbraw/zinc/21/46/26/270214626.db2.gz HOGSZHIMXUZFOA-LLVKDONJSA-N -1 3 283.318 3.262 20 0 CGADHM C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccccc1[O-] ZINC000246860906 287723175 /nfs/dbraw/zinc/72/31/75/287723175.db2.gz VTSQWBHTKQQSGH-MBNYWOFBSA-N -1 3 259.349 3.185 20 0 CGADHM Cc1ccc(/C=C\C(=O)Nc2cccc([O-])c2F)cc1 ZINC000255752333 287878536 /nfs/dbraw/zinc/87/85/36/287878536.db2.gz BHQFDDQHSNFIDK-KTKRTIGZSA-N -1 3 271.291 3.492 20 0 CGADHM CCC[C@@H]1[C@H](C)CCCN1C(=O)c1ccc(O)cc1[O-] ZINC000175290817 276279082 /nfs/dbraw/zinc/27/90/82/276279082.db2.gz DCLVVRMNWCUDPF-BXUZGUMPSA-N -1 3 277.364 3.139 20 0 CGADHM CC(=O)c1ccc(C(=O)N2CC[C@@H](C)C[C@@H](C)C2)cc1[O-] ZINC000408463832 277108559 /nfs/dbraw/zinc/10/85/59/277108559.db2.gz DUMZEBFWLMCGNL-VXGBXAGGSA-N -1 3 289.375 3.103 20 0 CGADHM C[C@@H]1c2ccccc2CCN1C(=O)c1cccc([O-])c1 ZINC000182394656 278107310 /nfs/dbraw/zinc/10/73/10/278107310.db2.gz JYYXGAVNPCPAQS-GFCCVEGCSA-N -1 3 267.328 3.152 20 0 CGADHM CC1=C[C@H](C)CN(C(=O)c2cc([O-])ccc2C(F)(F)F)C1 ZINC000338915099 278506732 /nfs/dbraw/zinc/50/67/32/278506732.db2.gz WYCNEYKAFKAJEA-VIFPVBQESA-N -1 3 299.292 3.449 20 0 CGADHM CC(F)(F)C(C)(C)C(=O)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000449809300 288073393 /nfs/dbraw/zinc/07/33/93/288073393.db2.gz FVMPFUUXLSTQFD-UHFFFAOYSA-N -1 3 293.317 3.119 20 0 CGADHM CC[C@H](NCc1cc(=O)[n-]c(C2CC2)n1)c1cccs1 ZINC000459401186 288089278 /nfs/dbraw/zinc/08/92/78/288089278.db2.gz IKGDFPCDTBKTML-LBPRGKRZSA-N -1 3 289.404 3.362 20 0 CGADHM C[C@H](C(=O)N1CC[C@@H](C)c2cccc([O-])c21)C1CC1 ZINC000186272333 279202988 /nfs/dbraw/zinc/20/29/88/279202988.db2.gz SKRRQMHDWRZQON-MNOVXSKESA-N -1 3 259.349 3.279 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N2CC[C@@H](C)C3(CCC3)C2)n1 ZINC000517010173 288130110 /nfs/dbraw/zinc/13/01/10/288130110.db2.gz SZKGWGULVKQVBD-YPMHNXCESA-N -1 3 275.396 3.064 20 0 CGADHM CCC[C@H]1CCCC[C@H]1NC(=O)c1cccc2nn[n-]c21 ZINC000526114978 288149661 /nfs/dbraw/zinc/14/96/61/288149661.db2.gz VVHNFIHHNIQFTD-WCQYABFASA-N -1 3 286.379 3.047 20 0 CGADHM CCC[C@H]1CCCC[C@H]1NC(=O)c1cccc2[n-]nnc21 ZINC000526114978 288149663 /nfs/dbraw/zinc/14/96/63/288149663.db2.gz VVHNFIHHNIQFTD-WCQYABFASA-N -1 3 286.379 3.047 20 0 CGADHM CCC[C@H]1CCCC[C@H]1NC(=O)c1cccc2n[n-]nc21 ZINC000526114978 288149664 /nfs/dbraw/zinc/14/96/64/288149664.db2.gz VVHNFIHHNIQFTD-WCQYABFASA-N -1 3 286.379 3.047 20 0 CGADHM CCC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc([O-])c(OC)c1 ZINC000527487408 288172175 /nfs/dbraw/zinc/17/21/75/288172175.db2.gz YIYTULLALAYVIQ-OCCSQVGLSA-N -1 3 291.391 3.490 20 0 CGADHM O=C(c1cc([O-])ccc1C(F)(F)F)N1C2CCC1CC2 ZINC000527512636 288174518 /nfs/dbraw/zinc/17/45/18/288174518.db2.gz YWBQECJMOUGRHD-UHFFFAOYSA-N -1 3 285.265 3.178 20 0 CGADHM Cc1cc(C(=O)[N-]c2csc3ccccc23)on1 ZINC000352206416 280373053 /nfs/dbraw/zinc/37/30/53/280373053.db2.gz MWYAPKMAKAFQTC-UHFFFAOYSA-N -1 3 258.302 3.450 20 0 CGADHM CC(C)c1ccc(C(=O)NCC[C@H]2CCCOC2)c([O-])c1 ZINC000529602099 288270602 /nfs/dbraw/zinc/27/06/02/288270602.db2.gz WZVNDLGUMVEFKW-CYBMUJFWSA-N -1 3 291.391 3.062 20 0 CGADHM CC[C@H](C)[C@H]1CCCCN1C(=O)c1ccc(O)cc1[O-] ZINC000265614622 280800095 /nfs/dbraw/zinc/80/00/95/280800095.db2.gz LXEHEJIMNYMNAX-SMDDNHRTSA-N -1 3 277.364 3.139 20 0 CGADHM C[C@H](CN(C)Cc1oncc1C(=O)[O-])C1CCCCC1 ZINC000530172923 288292726 /nfs/dbraw/zinc/29/27/26/288292726.db2.gz LVGRDSZSMSVBMZ-LLVKDONJSA-N -1 3 280.368 3.021 20 0 CGADHM CC[C@H]1CO[C@H](C)CN1C(=O)c1ccc(C(C)C)cc1[O-] ZINC000436587021 281216463 /nfs/dbraw/zinc/21/64/63/281216463.db2.gz CYWSXXJUFGLUQW-OCCSQVGLSA-N -1 3 291.391 3.155 20 0 CGADHM CC1(C)CN(Cc2c(F)ccc([O-])c2F)[C@H]1[C@@H]1CCCO1 ZINC000294037590 281245728 /nfs/dbraw/zinc/24/57/28/281245728.db2.gz WBWYQZCZGUCTCG-ZFWWWQNUSA-N -1 3 297.345 3.060 20 0 CGADHM CCc1c(C)sc2[n-]c(-c3coc(C)n3)nc(=O)c12 ZINC000289959267 281368410 /nfs/dbraw/zinc/36/84/10/281368410.db2.gz QBOIXJSYMNXQDC-UHFFFAOYSA-N -1 3 275.333 3.231 20 0 CGADHM CCc1ccc(C(=O)N2CC3(CCC3)[C@H]2C2CC2)c([O-])c1 ZINC000291974297 281394304 /nfs/dbraw/zinc/39/43/04/281394304.db2.gz UDZFJKBQNDMLBC-MRXNPFEDSA-N -1 3 285.387 3.359 20 0 CGADHM CC[C@H]1[C@H](C)CCN1C(=O)c1ccc(C)c(C)c1[O-] ZINC000436957930 288376851 /nfs/dbraw/zinc/37/68/51/288376851.db2.gz YGNPGHMSXTVXJK-RISCZKNCSA-N -1 3 261.365 3.270 20 0 CGADHM CS[C@H](C)CCC(=O)Nc1cccc([O-])c1F ZINC000537997876 288558341 /nfs/dbraw/zinc/55/83/41/288558341.db2.gz NMWNTCQQLXOBMZ-MRVPVSSYSA-N -1 3 257.330 3.002 20 0 CGADHM CCc1ccc([O-])c(C(=O)N(C(C)C)C2CCC2)c1 ZINC000539841750 288634734 /nfs/dbraw/zinc/63/47/34/288634734.db2.gz HDFWIKOANSLLHB-UHFFFAOYSA-N -1 3 261.365 3.358 20 0 CGADHM CC(C)C(C)(C)[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000551705838 289128508 /nfs/dbraw/zinc/12/85/08/289128508.db2.gz LUNSLYISIKRFAW-UHFFFAOYSA-N -1 3 293.791 3.192 20 0 CGADHM CCc1cccc(C(=O)NCCCc2cccc(C)n2)c1[O-] ZINC000552705540 289196880 /nfs/dbraw/zinc/19/68/80/289196880.db2.gz ITEDORHLOMUYGP-UHFFFAOYSA-N -1 3 298.386 3.021 20 0 CGADHM O=C(N=c1cc2ccccn2[n-]1)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000553320851 289219228 /nfs/dbraw/zinc/21/92/28/289219228.db2.gz UAIOSTZLLOQWQF-SOUVJXGZSA-N -1 3 297.402 3.301 20 0 CGADHM O=c1cc(C=C2COc3ccc(F)cc32)nc(C2CC2)[n-]1 ZINC000554518625 289288671 /nfs/dbraw/zinc/28/86/71/289288671.db2.gz LLTHTGWPDMQKJJ-YHYXMXQVSA-N -1 3 284.290 3.132 20 0 CGADHM C[C@@H]1CN(C)c2ccccc2N(C(=O)c2cccc([O-])c2)C1 ZINC000182508389 296970526 /nfs/dbraw/zinc/97/05/26/296970526.db2.gz PXIIWROORNNPMV-CYBMUJFWSA-N -1 3 296.370 3.125 20 0 CGADHM C[C@H]1C[C@@H](C(F)(F)F)CCN1C(=O)c1ccccc1[O-] ZINC000295910670 300410821 /nfs/dbraw/zinc/41/08/21/300410821.db2.gz INVQKMZZBKMXKC-UWVGGRQHSA-N -1 3 287.281 3.195 20 0 CGADHM CC(C)[C@H](C)SCC(=O)Nc1ccccc1[O-] ZINC000358929212 528973545 /nfs/dbraw/zinc/97/35/45/528973545.db2.gz YGDXXRHTBBBOGT-JTQLQIEISA-N -1 3 253.367 3.108 20 0 CGADHM C[C@H]1CCN(C(=O)c2cccc(O)c2)c2c([O-])cccc21 ZINC000186333615 327687124 /nfs/dbraw/zinc/68/71/24/327687124.db2.gz YZZAPQFZCVFXKI-NSHDSACASA-N -1 3 283.327 3.252 20 0 CGADHM C[C@H]1CC[C@@H](Cc2nc(-c3ccc([O-])cc3)no2)C1 ZINC000436533801 533702656 /nfs/dbraw/zinc/70/26/56/533702656.db2.gz NNMOOCHUKAYTGO-WDEREUQCSA-N -1 3 258.321 3.421 20 0 CGADHM c1cc(-c2noc([C@@H]3CC34CCCCC4)n2)cc2n[n-]nc12 ZINC000563928240 322015537 /nfs/dbraw/zinc/01/55/37/322015537.db2.gz SRPJTHZVGZUJIB-NSHDSACASA-N -1 3 295.346 3.446 20 0 CGADHM CCCC[C@H](C(=O)[O-])N(CC)Cc1c(F)cccc1F ZINC000565101340 322059806 /nfs/dbraw/zinc/05/98/06/322059806.db2.gz GOVNEPXVZUOIRH-CQSZACIVSA-N -1 3 285.334 3.430 20 0 CGADHM CC(C)CC[C@H]1CCC[C@H]1NC(=O)Cc1cncc([O-])c1 ZINC000565905040 322096774 /nfs/dbraw/zinc/09/67/74/322096774.db2.gz QTTAJVDTYCLMCB-GDBMZVCRSA-N -1 3 290.407 3.051 20 0 CGADHM CC1=C(C)C[C@@H](C(=O)Nc2nnc(-c3ccco3)[n-]2)CC1 ZINC000566916369 322142957 /nfs/dbraw/zinc/14/29/57/322142957.db2.gz PUTIYKGGHOHDPJ-NSHDSACASA-N -1 3 286.335 3.140 20 0 CGADHM CC1=C(C)C[C@@H](C(=O)Nc2nc(-c3ccco3)n[n-]2)CC1 ZINC000566916369 322142959 /nfs/dbraw/zinc/14/29/59/322142959.db2.gz PUTIYKGGHOHDPJ-NSHDSACASA-N -1 3 286.335 3.140 20 0 CGADHM CC1=C(C)C[C@@H](C(=O)Nc2n[n-]c(-c3ccco3)n2)CC1 ZINC000566916369 322142960 /nfs/dbraw/zinc/14/29/60/322142960.db2.gz PUTIYKGGHOHDPJ-NSHDSACASA-N -1 3 286.335 3.140 20 0 CGADHM CCC[C@H](C)C[C@H](NCc1ccc(OC)cc1F)C(=O)[O-] ZINC000567986617 322186811 /nfs/dbraw/zinc/18/68/11/322186811.db2.gz YXYLLCCLWLEHBH-NHYWBVRUSA-N -1 3 297.370 3.203 20 0 CGADHM O=C([O-])CCCCCN1CCc2c(Cl)cccc2C1 ZINC000568061011 322190274 /nfs/dbraw/zinc/19/02/74/322190274.db2.gz WTHXOBJEOPPFIA-UHFFFAOYSA-N -1 3 281.783 3.343 20 0 CGADHM C[C@H]1c2ccccc2CCN1Cc1ccoc1C(=O)[O-] ZINC000568065767 322191433 /nfs/dbraw/zinc/19/14/33/322191433.db2.gz FUGHDCSEJGWUDC-NSHDSACASA-N -1 3 271.316 3.097 20 0 CGADHM CCc1oc(C(=O)[O-])cc1CN(C)CCc1cccs1 ZINC000568065945 322191725 /nfs/dbraw/zinc/19/17/25/322191725.db2.gz LNSRHVGBIJJPKY-UHFFFAOYSA-N -1 3 293.388 3.276 20 0 CGADHM [O-]c1cccc(CN[C@@H]2[C@@H]3CCC[C@@H]32)c1Br ZINC000568274998 322202854 /nfs/dbraw/zinc/20/28/54/322202854.db2.gz KCHYHNOPRXFKFD-DDFAGTSDSA-N -1 3 282.181 3.043 20 0 CGADHM Cc1oc([C@H](C)N2CC[C@@]3(C)[C@@H](C2)C3(F)F)cc1C(=O)[O-] ZINC000568290986 322204066 /nfs/dbraw/zinc/20/40/66/322204066.db2.gz XLZAALKJKXQOLF-PELMWDNLSA-N -1 3 299.317 3.324 20 0 CGADHM CC(C)CC1(CNC(=O)c2c[n-]nc2-c2ccccn2)CC1 ZINC000570863500 322284235 /nfs/dbraw/zinc/28/42/35/322284235.db2.gz ZDBNVPDZXWTQIL-UHFFFAOYSA-N -1 3 298.390 3.028 20 0 CGADHM Cc1cccc(N(C)C(=O)c2ccc3c(c2[O-])CCCC3)n1 ZINC000571208170 322292978 /nfs/dbraw/zinc/29/29/78/322292978.db2.gz QJEQYKHPFIBTQQ-UHFFFAOYSA-N -1 3 296.370 3.251 20 0 CGADHM CC(=O)c1c(C)cc(C)c(CN(C)[C@@H](C)CC(=O)[O-])c1C ZINC000571226261 322293386 /nfs/dbraw/zinc/29/33/86/322293386.db2.gz HXJRQVKMFJUXFT-LBPRGKRZSA-N -1 3 291.391 3.109 20 0 CGADHM O=C([O-])C1(CNCc2ccsc2Cl)CCCC1 ZINC000571831935 322308927 /nfs/dbraw/zinc/30/89/27/322308927.db2.gz UNLHMBBUZFPXKB-UHFFFAOYSA-N -1 3 273.785 3.136 20 0 CGADHM C[C@@H]1CN(Cc2c(F)cccc2Cl)C[C@@]1(C)C(=O)[O-] ZINC000571888413 322310784 /nfs/dbraw/zinc/31/07/84/322310784.db2.gz LADRDPYMKQSUOX-YMTOWFKASA-N -1 3 285.746 3.022 20 0 CGADHM C[C@@H](NCc1csc(C2CCCCC2)n1)[C@@H](C)C(=O)[O-] ZINC000572967981 322363375 /nfs/dbraw/zinc/36/33/75/322363375.db2.gz WRFWVEJFGJRBLA-GHMZBOCLSA-N -1 3 296.436 3.390 20 0 CGADHM C[C@H](c1ccco1)N(C)CCOc1cccc(C(=O)[O-])c1 ZINC000573213134 322375934 /nfs/dbraw/zinc/37/59/34/322375934.db2.gz YBVGXUSXTXBQPG-GFCCVEGCSA-N -1 3 289.331 3.050 20 0 CGADHM [O-]c1cccnc1CN1CCC[C@H]1/C=C/c1ccccc1 ZINC000573366135 322384331 /nfs/dbraw/zinc/38/43/31/322384331.db2.gz FSLBPPYQAMAHQN-OFAQMXQXSA-N -1 3 280.371 3.465 20 0 CGADHM O=C(NCc1ncccc1[O-])c1ccc(C2CCCC2)cc1 ZINC000583596572 328624711 /nfs/dbraw/zinc/62/47/11/328624711.db2.gz SAYKEUQMXIOHJG-UHFFFAOYSA-N -1 3 296.370 3.375 20 0 CGADHM CC(C)(C)n1cc(C(=O)Nc2c([O-])cccc2Cl)cn1 ZINC000583647111 328725986 /nfs/dbraw/zinc/72/59/86/328725986.db2.gz GICXSGLCDPYEQR-UHFFFAOYSA-N -1 3 293.754 3.249 20 0 CGADHM COCC1(CC(=O)N2CC[C@H](C)c3cccc([O-])c32)CC1 ZINC000580449808 330137957 /nfs/dbraw/zinc/13/79/57/330137957.db2.gz BBMMFGUTVNZBTR-LBPRGKRZSA-N -1 3 289.375 3.049 20 0 CGADHM COc1cccc([C@@H](C)C(=O)Nc2cc(F)ccc2[O-])c1 ZINC000174877835 335168319 /nfs/dbraw/zinc/16/83/19/335168319.db2.gz IRBKGTOQVZPKRQ-SNVBAGLBSA-N -1 3 289.306 3.282 20 0 CGADHM COc1ccc(CN(C)Cc2ncccc2[O-])cc1Cl ZINC000576607373 335226068 /nfs/dbraw/zinc/22/60/68/335226068.db2.gz ASILTRNOTDQZJU-UHFFFAOYSA-N -1 3 292.766 3.081 20 0 CGADHM C[C@@H](C(=O)[O-])[C@H](C)NCc1nc(C2CCCCC2)cs1 ZINC000576643391 335230019 /nfs/dbraw/zinc/23/00/19/335230019.db2.gz UBKPOHLMOVBXMF-MNOVXSKESA-N -1 3 296.436 3.390 20 0 CGADHM CCN(Cc1ccccc1C)[C@@H](C)c1nc(C)cc(=O)[n-]1 ZINC000192531748 335272671 /nfs/dbraw/zinc/27/26/71/335272671.db2.gz INTIRQJHTVEXOD-AWEZNQCLSA-N -1 3 285.391 3.382 20 0 CGADHM Cc1ccc(C(=O)Nc2cc(Br)ccc2[O-])o1 ZINC000176434934 335278287 /nfs/dbraw/zinc/27/82/87/335278287.db2.gz NWBQTUATTNUZKL-UHFFFAOYSA-N -1 3 296.120 3.308 20 0 CGADHM COc1ccc([O-])c(C(=O)N(C)CCCc2ccccc2)c1 ZINC000192687366 335291522 /nfs/dbraw/zinc/29/15/22/335291522.db2.gz ADGOMZPRMQMVIL-UHFFFAOYSA-N -1 3 299.370 3.106 20 0 CGADHM CCC(C)(C)[C@H](NCc1ccc(F)cc1Cl)C(=O)[O-] ZINC000577373588 335344217 /nfs/dbraw/zinc/34/42/17/335344217.db2.gz NKDSTBOTWXLGOB-GFCCVEGCSA-N -1 3 287.762 3.458 20 0 CGADHM CCc1csc(CC(=O)Nc2c([O-])cccc2Cl)n1 ZINC000577989260 335449464 /nfs/dbraw/zinc/44/94/64/335449464.db2.gz ZNVINDHOVFPGPF-UHFFFAOYSA-N -1 3 296.779 3.246 20 0 CGADHM Cc1cccc([O-])c1NC(=O)c1occc1Br ZINC000179551998 335500116 /nfs/dbraw/zinc/50/01/16/335500116.db2.gz NRSLDTJSWJCPRJ-UHFFFAOYSA-N -1 3 296.120 3.308 20 0 CGADHM CCOc1cc(-c2noc([C@@]34C[C@@H]3CCC4)n2)ccc1[O-] ZINC000578876105 335683442 /nfs/dbraw/zinc/68/34/42/335683442.db2.gz ZAOZRRJPUUYJKF-ZBEGNZNMSA-N -1 3 286.331 3.283 20 0 CGADHM CC(C)[C@H](C)CNC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000193322007 335967396 /nfs/dbraw/zinc/96/73/96/335967396.db2.gz NSUHLVTVNBCDNO-SECBINFHSA-N -1 3 289.297 3.433 20 0 CGADHM Cc1cccc(C(=O)N2CC(C)(C)[C@@H]3CCC[C@@H]32)c1[O-] ZINC000381146044 336051997 /nfs/dbraw/zinc/05/19/97/336051997.db2.gz RKIVJURGUKNSCQ-KGLIPLIRSA-N -1 3 273.376 3.351 20 0 CGADHM CC(C)C[C@H](C(=O)[O-])N(C)Cc1cc2ccccc2o1 ZINC000581374796 336064136 /nfs/dbraw/zinc/06/41/36/336064136.db2.gz BTUVBGURPSWKSV-CQSZACIVSA-N -1 3 275.348 3.364 20 0 CGADHM CN(Cc1ccc(C(=O)[O-])cc1)C[C@H]1CCCC1(F)F ZINC000382165434 336083581 /nfs/dbraw/zinc/08/35/81/336083581.db2.gz PLEBYJZKMKNWSA-CYBMUJFWSA-N -1 3 283.318 3.252 20 0 CGADHM Cc1cccc(C(=O)N2CC[C@@H](C)C(C)(C)C2)c1[O-] ZINC000436955717 500982425 /nfs/dbraw/zinc/98/24/25/500982425.db2.gz LYRYWQNJAQHVDE-GFCCVEGCSA-N -1 3 261.365 3.209 20 0 CGADHM Cc1ccc(CCNC(=O)c2cccc(C)c2[O-])c(C)c1 ZINC000195697902 533804209 /nfs/dbraw/zinc/80/42/09/533804209.db2.gz KADFDCUGDMFGJA-UHFFFAOYSA-N -1 3 283.371 3.290 20 0 CGADHM COc1cc(F)c(F)cc1NC(=O)c1cccc(C)c1[O-] ZINC000436938113 533972721 /nfs/dbraw/zinc/97/27/21/533972721.db2.gz KEBYDCQAMMKQPX-UHFFFAOYSA-N -1 3 293.269 3.240 20 0 CGADHM C[C@@H]1C[C@H]1CC(=O)Nc1cc(Br)ccc1[O-] ZINC000354894555 534017127 /nfs/dbraw/zinc/01/71/27/534017127.db2.gz FXBPZVZWCUQKAW-SFYZADRCSA-N -1 3 284.153 3.139 20 0 CGADHM Cc1ccc(CN[C@@H](C(=O)[O-])c2cccc(F)c2)cc1F ZINC000426820841 534078013 /nfs/dbraw/zinc/07/80/13/534078013.db2.gz NQUCRSPVUBRYII-OAHLLOKOSA-N -1 3 291.297 3.189 20 0 CGADHM Cc1ccc(-c2cc(-c3nc(-c4ccncc4)no3)n[n-]2)o1 ZINC000172060409 534165025 /nfs/dbraw/zinc/16/50/25/534165025.db2.gz MBMWQGUBTKQBPE-UHFFFAOYSA-N -1 3 293.286 3.090 20 0 CGADHM Cc1ccc(-c2cc(-c3nc(-c4ccncc4)no3)[n-]n2)o1 ZINC000172060409 534165032 /nfs/dbraw/zinc/16/50/32/534165032.db2.gz MBMWQGUBTKQBPE-UHFFFAOYSA-N -1 3 293.286 3.090 20 0 CGADHM [O-]c1cc2c(cc1-c1nc(-c3ccncc3)no1)CCCC2 ZINC000436890603 534447461 /nfs/dbraw/zinc/44/74/61/534447461.db2.gz FUSCMOPSFLNYRS-UHFFFAOYSA-N -1 3 293.326 3.383 20 0 CGADHM CCO[N-]C(=O)Nc1ccc(C(F)(F)F)c(C)c1 ZINC000184053965 520234658 /nfs/dbraw/zinc/23/46/58/520234658.db2.gz CCTCZWWLNCAUMS-UHFFFAOYSA-N -1 3 262.231 3.087 20 0 CGADHM O=C([O-])[C@@H](NCc1cccc2cc[nH]c21)c1cccc(F)c1 ZINC000426764893 534516593 /nfs/dbraw/zinc/51/65/93/534516593.db2.gz YRPGDJAJMJUDSS-INIZCTEOSA-N -1 3 298.317 3.223 20 0 CGADHM Fc1cccc(CSc2n[n-]c(-c3ccccn3)n2)c1 ZINC000117113129 534519329 /nfs/dbraw/zinc/51/93/29/534519329.db2.gz DDRSRESAEIZGPK-UHFFFAOYSA-N -1 3 286.335 3.298 20 0 CGADHM Cc1cnc([N-]C(=O)c2cc(-c3ccc(F)cc3)on2)o1 ZINC000354934986 534584055 /nfs/dbraw/zinc/58/40/55/534584055.db2.gz OHHKEGMQFFOVMY-UHFFFAOYSA-N -1 3 287.250 3.029 20 0 CGADHM CC(C)(C)CCO[N-]C(=O)/C=C/c1nc2ccccc2o1 ZINC000493828770 534588601 /nfs/dbraw/zinc/58/86/01/534588601.db2.gz VUAZINGYXFZACF-CMDGGOBGSA-N -1 3 288.347 3.325 20 0 CGADHM Cc1cccc(C(=O)Nc2ccc(-c3ncon3)cc2)c1[O-] ZINC000171011311 534625394 /nfs/dbraw/zinc/62/53/94/534625394.db2.gz IQCCIDACLULFOG-UHFFFAOYSA-N -1 3 295.298 3.003 20 0 CGADHM O=C(N[C@H](c1ccccc1)C(F)F)c1ccccc1[O-] ZINC000436888147 534794701 /nfs/dbraw/zinc/79/47/01/534794701.db2.gz QMGKUUGDTVUIQP-CYBMUJFWSA-N -1 3 277.270 3.128 20 0 CGADHM CC(=O)c1cc(C(=O)Nc2c(C)cccc2[O-])c(C)nc1C ZINC000486963532 534814051 /nfs/dbraw/zinc/81/40/51/534814051.db2.gz FIXGXKRJUWVACT-UHFFFAOYSA-N -1 3 298.342 3.167 20 0 CGADHM Cc1ccc([O-])c(C(=O)N(C)C[C@H](C)c2nccs2)c1 ZINC000184997928 525331903 /nfs/dbraw/zinc/33/19/03/525331903.db2.gz AYGZVSQWULZLLP-NSHDSACASA-N -1 3 290.388 3.033 20 0 CGADHM Cc1ccc([O-])c(C(=O)N(C)[C@H]2CCCC[C@H]2C)c1 ZINC000055482036 525333840 /nfs/dbraw/zinc/33/38/40/525333840.db2.gz QGTLHAQYCSAIID-OCCSQVGLSA-N -1 3 261.365 3.351 20 0 CGADHM [O-]c1cccc(CN[C@H]2CCO[C@@H](C3CC3)C2)c1Cl ZINC000339352276 526360928 /nfs/dbraw/zinc/36/09/28/526360928.db2.gz LLOBEWRAYLROAS-GXTWGEPZSA-N -1 3 281.783 3.093 20 0 CGADHM CC(C)(C)c1ccc(NC(=O)C2CCOCC2)c([O-])c1 ZINC000335919565 526779901 /nfs/dbraw/zinc/77/99/01/526779901.db2.gz ASMROEIAPBIBJL-UHFFFAOYSA-N -1 3 277.364 3.055 20 0 CGADHM CC(C)(CNC(=O)c1ccccc1[O-])c1ccccc1F ZINC000436891700 527165275 /nfs/dbraw/zinc/16/52/75/527165275.db2.gz YJGSRIOFFILZAQ-UHFFFAOYSA-N -1 3 287.334 3.239 20 0 CGADHM CC(=O)c1ccc(C(=O)NC2CCC3(CC3)CC2)cc1[O-] ZINC000412290897 527251169 /nfs/dbraw/zinc/25/11/69/527251169.db2.gz JQTWNIWSRHLTIW-UHFFFAOYSA-N -1 3 287.359 3.047 20 0 CGADHM CC(=O)c1ccc(C(=O)N[C@@H](C)CCC(C)C)cc1[O-] ZINC000436867934 527259444 /nfs/dbraw/zinc/25/94/44/527259444.db2.gz GGBPTUOPLCDKGN-NSHDSACASA-N -1 3 277.364 3.149 20 0 CGADHM CCO[C@@H](CNC(=O)c1ccc(C)cc1[O-])c1ccccc1 ZINC000436706652 527734501 /nfs/dbraw/zinc/73/45/01/527734501.db2.gz MRIXJQYXULANOQ-KRWDZBQOSA-N -1 3 299.370 3.208 20 0 CGADHM CCOc1ccc(-c2noc(-c3ccc(C)cc3[O-])n2)cn1 ZINC000436918937 528356169 /nfs/dbraw/zinc/35/61/69/528356169.db2.gz LFBYQBQATOHODQ-UHFFFAOYSA-N -1 3 297.314 3.211 20 0 CGADHM CCN(CCC1CC1)Cc1nc(=O)c2sccc2[n-]1 ZINC000355032645 528426985 /nfs/dbraw/zinc/42/69/85/528426985.db2.gz CFJCGAGXINQBOP-UHFFFAOYSA-N -1 3 277.393 3.019 20 0 CGADHM CCOc1ccc(CNC(=O)c2cc(CC)ccc2[O-])cc1 ZINC000436940954 528453991 /nfs/dbraw/zinc/45/39/91/528453991.db2.gz AZZYELUKXWTTHR-UHFFFAOYSA-N -1 3 299.370 3.283 20 0 CGADHM CCCc1nc(C(=O)[N-]c2cc(F)ccc2F)co1 ZINC000358875341 528696876 /nfs/dbraw/zinc/69/68/76/528696876.db2.gz WIIGRZPZQOMDMW-UHFFFAOYSA-N -1 3 266.247 3.158 20 0 CGADHM CCCC[C@@H](S[C@H](C)c1nc(C)cc(=O)[n-]1)C(=O)OC ZINC000355929131 528863631 /nfs/dbraw/zinc/86/36/31/528863631.db2.gz GUYCOMKIYSUJAE-GHMZBOCLSA-N -1 3 298.408 3.017 20 0 CGADHM CCC[C@@H](C)N(C)C(=O)c1ccc2[n-]c(OCC)nc2c1 ZINC000431905955 528886905 /nfs/dbraw/zinc/88/69/05/528886905.db2.gz DQCYBLZIPJEUPF-LLVKDONJSA-N -1 3 289.379 3.222 20 0 CGADHM CCC[C@@H](C)N(C)C(=O)c1ccc2nc(OCC)[n-]c2c1 ZINC000431905955 528886906 /nfs/dbraw/zinc/88/69/06/528886906.db2.gz DQCYBLZIPJEUPF-LLVKDONJSA-N -1 3 289.379 3.222 20 0 CGADHM CCC[C@@H](Cc1ccccc1)NC(=O)c1ccc(O)cc1[O-] ZINC000436533145 528961840 /nfs/dbraw/zinc/96/18/40/528961840.db2.gz UKIYTGYCYZPOBV-AWEZNQCLSA-N -1 3 299.370 3.239 20 0 CGADHM CCC1(C)CCN(C(=O)Cc2ccc([O-])c(F)c2)CC1 ZINC000448857780 529019095 /nfs/dbraw/zinc/01/90/95/529019095.db2.gz HCNVQIIROSLGGX-UHFFFAOYSA-N -1 3 279.355 3.113 20 0 CGADHM CCOCc1ccc(NC(=O)c2cccc(C)c2[O-])cc1 ZINC000436575457 529052926 /nfs/dbraw/zinc/05/29/26/529052926.db2.gz MYMUBEMFTYIQMP-UHFFFAOYSA-N -1 3 285.343 3.489 20 0 CGADHM CC(C)[C@H](NC(=O)c1ccc(O)cc1[O-])c1ccccc1 ZINC000436991578 529109790 /nfs/dbraw/zinc/10/97/90/529109790.db2.gz ROJKKMWKOOOCJM-INIZCTEOSA-N -1 3 285.343 3.225 20 0 CGADHM CC[C@H]1CCC[C@@H](NC(=O)c2ccc(C(C)=O)c([O-])c2)C1 ZINC000412136094 529222723 /nfs/dbraw/zinc/22/27/23/529222723.db2.gz UKDITZNHGIBFAN-GXTWGEPZSA-N -1 3 289.375 3.293 20 0 CGADHM CCS[C@H]1CCCC[C@H]1NC(=O)c1ccccc1[O-] ZINC000436728993 529228180 /nfs/dbraw/zinc/22/81/80/529228180.db2.gz OWYKBCFLPVYCGX-OCCSQVGLSA-N -1 3 279.405 3.186 20 0 CGADHM CCS[C@H]1CC[C@@H](N(C)C(=O)c2cccc([O-])c2)C1 ZINC000357365675 529232824 /nfs/dbraw/zinc/23/28/24/529232824.db2.gz OAVGQEYILRWKLP-OCCSQVGLSA-N -1 3 279.405 3.138 20 0 CGADHM CC[C@H](C)n1nc(C(=O)Nc2c(C)cccc2[O-])cc1C ZINC000436950144 529287011 /nfs/dbraw/zinc/28/70/11/529287011.db2.gz MHAZRBDVUNSEER-NSHDSACASA-N -1 3 287.363 3.429 20 0 CGADHM CC(C)(C)[C@@H]1CCCN(C(=O)c2c([O-])cccc2O)CC1 ZINC000092122190 535072581 /nfs/dbraw/zinc/07/25/81/535072581.db2.gz GCRXZLKCSRLIIP-GFCCVEGCSA-N -1 3 291.391 3.386 20 0 CGADHM CC(C)(C)c1ccc(NC(=O)/C=C\[C@@H]2CCOC2)c([O-])c1 ZINC000493510778 535117392 /nfs/dbraw/zinc/11/73/92/535117392.db2.gz HOXORSJFGVYHEG-DJFZKKHWSA-N -1 3 289.375 3.221 20 0 CGADHM CCCCn1c(SCCCCCC(C)=O)n[n-]c1=O ZINC000450702813 535138245 /nfs/dbraw/zinc/13/82/45/535138245.db2.gz IWGMVQVVANFIAF-UHFFFAOYSA-N -1 3 285.413 3.025 20 0 CGADHM CC(C)(CNC(=O)c1ccc2n[n-]nc2c1)C1=CCCCC1 ZINC000478918260 535143232 /nfs/dbraw/zinc/14/32/32/535143232.db2.gz UZWHUAVYSCJLAC-UHFFFAOYSA-N -1 3 298.390 3.214 20 0 CGADHM CN(C(=O)c1ccccc1[O-])C1CCC(C)(C)CC1 ZINC000094820072 536068375 /nfs/dbraw/zinc/06/83/75/536068375.db2.gz CYYCVWSMUOZSDL-UHFFFAOYSA-N -1 3 261.365 3.433 20 0 CGADHM COc1cc(C)cc(C(=O)Nc2ccc(F)cc2F)c1[O-] ZINC000093900985 536631794 /nfs/dbraw/zinc/63/17/94/536631794.db2.gz WQIZVGUIDRHTOK-UHFFFAOYSA-N -1 3 293.269 3.240 20 0 CGADHM COC(=O)c1cnc(SCCCc2cccc(F)c2)[n-]1 ZINC000191501976 536862571 /nfs/dbraw/zinc/86/25/71/536862571.db2.gz RXYDCPIVZQWRIF-UHFFFAOYSA-N -1 3 294.351 3.060 20 0 CGADHM O=[S@](C[C@H]1CCCCC1(F)F)c1cccc([O-])c1 ZINC000335647667 571726556 /nfs/dbraw/zinc/72/65/56/571726556.db2.gz PZYXDGFKVKTCAI-MLCYQJTMSA-N -1 3 274.332 3.325 20 0 CGADHM [O-]c1ccccc1Sc1nc(C2CC2)ns1 ZINC000083671342 571689882 /nfs/dbraw/zinc/68/98/82/571689882.db2.gz QSMCVAJPHLUBES-UHFFFAOYSA-N -1 3 250.348 3.272 20 0 CGADHM COC(=O)c1cccc(NC(=O)c2cc3occc3[n-]2)c1C ZINC000750844105 572329843 /nfs/dbraw/zinc/32/98/43/572329843.db2.gz UZGVSYWKFIFTKO-UHFFFAOYSA-N -1 3 298.298 3.108 20 0 CGADHM c1cc(-c2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)co1 ZINC000738407603 572374684 /nfs/dbraw/zinc/37/46/84/572374684.db2.gz ZDPFMIDAQJPEMV-UHFFFAOYSA-N -1 3 295.327 3.250 20 0 CGADHM c1cc(-c2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)co1 ZINC000738407603 572374689 /nfs/dbraw/zinc/37/46/89/572374689.db2.gz ZDPFMIDAQJPEMV-UHFFFAOYSA-N -1 3 295.327 3.250 20 0 CGADHM Cc1cccc(CN[C@@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC000738716883 572390264 /nfs/dbraw/zinc/39/02/64/572390264.db2.gz FXODLRZTHGJCQR-OAHLLOKOSA-N -1 3 273.307 3.050 20 0 CGADHM CS(=O)(=O)[N-]c1ccccc1SCc1ccccc1 ZINC000731058745 572392646 /nfs/dbraw/zinc/39/26/46/572392646.db2.gz PUKPXHMLNBUIKD-UHFFFAOYSA-N -1 3 293.413 3.350 20 0 CGADHM C[C@@H](CCC1CCCCC1)[N-]C(=O)C(F)(F)F ZINC000734449678 572656986 /nfs/dbraw/zinc/65/69/86/572656986.db2.gz XXGPCEFFMJKKNH-VIFPVBQESA-N -1 3 251.292 3.414 20 0 CGADHM CCc1ccc(CO[N-]C(=O)CCOc2ccccc2)cc1 ZINC000735302817 572713655 /nfs/dbraw/zinc/71/36/55/572713655.db2.gz HOCGZFZTEGIGAA-UHFFFAOYSA-N -1 3 299.370 3.266 20 0 CGADHM CC(C)(C)CNc1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC000735618125 572734378 /nfs/dbraw/zinc/73/43/78/572734378.db2.gz IMJLHMIYEHSVQA-UHFFFAOYSA-N -1 3 299.300 3.344 20 0 CGADHM CC(C)(C)CNc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000735618125 572734384 /nfs/dbraw/zinc/73/43/84/572734384.db2.gz IMJLHMIYEHSVQA-UHFFFAOYSA-N -1 3 299.300 3.344 20 0 CGADHM CC(C)[C@@H](C)CNc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000735700549 572738195 /nfs/dbraw/zinc/73/81/95/572738195.db2.gz HNCXCKHKKMOPEO-VIFPVBQESA-N -1 3 279.775 3.224 20 0 CGADHM CC(C)[C@@H](C)CNc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000735700549 572738197 /nfs/dbraw/zinc/73/81/97/572738197.db2.gz HNCXCKHKKMOPEO-VIFPVBQESA-N -1 3 279.775 3.224 20 0 CGADHM CC(C)[C@H](C)CNc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000735701095 572738304 /nfs/dbraw/zinc/73/83/04/572738304.db2.gz JXXIVGCVSPVBBM-SECBINFHSA-N -1 3 279.775 3.224 20 0 CGADHM CC(C)[C@H](C)CNc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000735701095 572738306 /nfs/dbraw/zinc/73/83/06/572738306.db2.gz JXXIVGCVSPVBBM-SECBINFHSA-N -1 3 279.775 3.224 20 0 CGADHM CC(C)CCNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000735811673 572741269 /nfs/dbraw/zinc/74/12/69/572741269.db2.gz QDXPMSKNADBELR-UHFFFAOYSA-N -1 3 299.300 3.344 20 0 CGADHM CC(C)CCNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000735811673 572741274 /nfs/dbraw/zinc/74/12/74/572741274.db2.gz QDXPMSKNADBELR-UHFFFAOYSA-N -1 3 299.300 3.344 20 0 CGADHM C[C@@H](OC(=O)c1ccc([O-])cc1O)c1cc(F)ccc1F ZINC000744497590 572759813 /nfs/dbraw/zinc/75/98/13/572759813.db2.gz GPAIGZXXXIVQHC-MRVPVSSYSA-N -1 3 294.253 3.294 20 0 CGADHM O=C(COC(=O)c1cc(Cl)c(Cl)[n-]1)C1CCCC1 ZINC000744628703 572766203 /nfs/dbraw/zinc/76/62/03/572766203.db2.gz QTMQAARNIDSOPD-UHFFFAOYSA-N -1 3 290.146 3.238 20 0 CGADHM C/C(=C\c1ccccc1)CNCc1ccc(C(=O)[O-])o1 ZINC000736120486 572768908 /nfs/dbraw/zinc/76/89/08/572768908.db2.gz AALWIOUMLJHZMX-FMIVXFBMSA-N -1 3 271.316 3.171 20 0 CGADHM O=C(OCC1CCC1)c1cc(-c2cccs2)[n-]n1 ZINC000744763000 572771754 /nfs/dbraw/zinc/77/17/54/572771754.db2.gz VJLTWZQYDPGTFE-UHFFFAOYSA-N -1 3 262.334 3.095 20 0 CGADHM O=C(OCC1CCC1)c1cc(-c2cccs2)n[n-]1 ZINC000744763000 572771759 /nfs/dbraw/zinc/77/17/59/572771759.db2.gz VJLTWZQYDPGTFE-UHFFFAOYSA-N -1 3 262.334 3.095 20 0 CGADHM C[C@H]1CCC[C@@H](N(C)c2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000736254278 572777516 /nfs/dbraw/zinc/77/75/16/572777516.db2.gz YEPONBPZYDWLCM-CMPLNLGQSA-N -1 3 289.358 3.021 20 0 CGADHM C[C@H]1CCC[C@@H](N(C)c2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000736254278 572777517 /nfs/dbraw/zinc/77/75/17/572777517.db2.gz YEPONBPZYDWLCM-CMPLNLGQSA-N -1 3 289.358 3.021 20 0 CGADHM C[C@@H]1CCC[C@@H]1Nc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000736261611 572778156 /nfs/dbraw/zinc/77/81/56/572778156.db2.gz KZSOCDVZKZKXJB-MFKMUULPSA-N -1 3 294.362 3.015 20 0 CGADHM C[C@@H]1CCC[C@@H]1Nc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000736261611 572778162 /nfs/dbraw/zinc/77/81/62/572778162.db2.gz KZSOCDVZKZKXJB-MFKMUULPSA-N -1 3 294.362 3.015 20 0 CGADHM C/C=C\CS[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736302898 572780657 /nfs/dbraw/zinc/78/06/57/572780657.db2.gz HYAOTEOWKUKVOV-XOULXFPDSA-N -1 3 260.366 3.237 20 0 CGADHM C/C=C\CS[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736302898 572780660 /nfs/dbraw/zinc/78/06/60/572780660.db2.gz HYAOTEOWKUKVOV-XOULXFPDSA-N -1 3 260.366 3.237 20 0 CGADHM CCC(CC)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736345899 572783591 /nfs/dbraw/zinc/78/35/91/572783591.db2.gz NTPDKKILPHFYEA-UHFFFAOYSA-N -1 3 265.748 3.121 20 0 CGADHM CCC(CC)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736345899 572783594 /nfs/dbraw/zinc/78/35/94/572783594.db2.gz NTPDKKILPHFYEA-UHFFFAOYSA-N -1 3 265.748 3.121 20 0 CGADHM CCCCCNc1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC000736451251 572794914 /nfs/dbraw/zinc/79/49/14/572794914.db2.gz HULMCXJBSUGNJZ-UHFFFAOYSA-N -1 3 299.300 3.488 20 0 CGADHM CCCCCNc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000736451251 572794915 /nfs/dbraw/zinc/79/49/15/572794915.db2.gz HULMCXJBSUGNJZ-UHFFFAOYSA-N -1 3 299.300 3.488 20 0 CGADHM C[C@@H](c1ccc(C(=O)[O-])o1)N1CC[C@H](c2ccco2)C1 ZINC000736715995 572806310 /nfs/dbraw/zinc/80/63/10/572806310.db2.gz FROLZNVEBOLGCL-QWRGUYRKSA-N -1 3 275.304 3.121 20 0 CGADHM C[C@@H]1c2ccccc2OCCN1[C@@H](C(=O)[O-])c1ccccc1 ZINC000736840678 572820903 /nfs/dbraw/zinc/82/09/03/572820903.db2.gz QDPQXJREWBYGHA-CXAGYDPISA-N -1 3 297.354 3.268 20 0 CGADHM CC[C@H](N[C@@H]1CCCN(C(=O)[O-])C1)c1ccc(F)cc1 ZINC000736920696 572825062 /nfs/dbraw/zinc/82/50/62/572825062.db2.gz YJUAUCUQNJSWNP-KGLIPLIRSA-N -1 3 280.343 3.009 20 0 CGADHM CCCCC[C@H](C)[N-]S(=O)(=O)c1sc(C)nc1C ZINC000748674951 572981951 /nfs/dbraw/zinc/98/19/51/572981951.db2.gz JOCJWVJVIIBTKC-VIFPVBQESA-N -1 3 290.454 3.007 20 0 CGADHM C[C@H](C[N-]C(=O)C(F)(F)C(F)F)Sc1ccccc1 ZINC000749402361 572999435 /nfs/dbraw/zinc/99/94/35/572999435.db2.gz MLUOBFUUBFJMDT-MRVPVSSYSA-N -1 3 295.301 3.184 20 0 CGADHM CC(C)CO[N-]C(=O)CCCCCc1ccc(O)cc1 ZINC000750539798 573149163 /nfs/dbraw/zinc/14/91/63/573149163.db2.gz WEIVFYLLQIJRMO-UHFFFAOYSA-N -1 3 279.380 3.199 20 0 CGADHM CC[C@H](C)C[C@@H](C)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC000820870323 599067261 /nfs/dbraw/zinc/06/72/61/599067261.db2.gz QNJPIMBZGRRWSW-DTWKUNHWSA-N -1 3 294.790 3.152 20 0 CGADHM CC[C@H](C)C[C@@H](C)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC000820870323 599067264 /nfs/dbraw/zinc/06/72/64/599067264.db2.gz QNJPIMBZGRRWSW-DTWKUNHWSA-N -1 3 294.790 3.152 20 0 CGADHM C[C@H](NCc1ccc(C(=O)[O-])cc1)c1ccc(Cl)nc1 ZINC000820142080 597453636 /nfs/dbraw/zinc/45/36/36/597453636.db2.gz NPIFBUYZNCYNIS-JTQLQIEISA-N -1 3 290.750 3.284 20 0 CGADHM Cc1cn(Cc2ccc3ccccc3c2)cc1-c1nnn[n-]1 ZINC000822384022 607331213 /nfs/dbraw/zinc/33/12/13/607331213.db2.gz DSMTZNVVLRUHMI-UHFFFAOYSA-N -1 3 289.342 3.178 20 0 CGADHM Cc1cn(Cc2ccc3ccccc3c2)cc1-c1nn[n-]n1 ZINC000822384022 607331214 /nfs/dbraw/zinc/33/12/14/607331214.db2.gz DSMTZNVVLRUHMI-UHFFFAOYSA-N -1 3 289.342 3.178 20 0 CGADHM O=C([O-])c1cccc(CN[C@H]2CSCc3ccccc32)c1 ZINC000821551362 598192205 /nfs/dbraw/zinc/19/22/05/598192205.db2.gz HNWNCRLOBUWKKC-INIZCTEOSA-N -1 3 299.395 3.463 20 0 CGADHM CC[C@H]1c2ccsc2CCN1C/C=C(/C)C(=O)[O-] ZINC000829170094 601050799 /nfs/dbraw/zinc/05/07/99/601050799.db2.gz KDVNYQHRFFAJNR-JOTVYFQTSA-N -1 3 265.378 3.088 20 0 CGADHM Cc1ccc([C@H](C)N(C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737320519 598815310 /nfs/dbraw/zinc/81/53/10/598815310.db2.gz LZEWUCKIHFONIM-ZDUSSCGKSA-N -1 3 293.374 3.373 20 0 CGADHM c1ccc(-c2nnn[n-]2)c(S[C@H]2C=CCCC2)c1 ZINC000819718474 599343345 /nfs/dbraw/zinc/34/33/45/599343345.db2.gz IVYJLRNCVODGIJ-JTQLQIEISA-N -1 3 258.350 3.068 20 0 CGADHM c1ccc(-c2nn[n-]n2)c(S[C@H]2C=CCCC2)c1 ZINC000819718474 599343348 /nfs/dbraw/zinc/34/33/48/599343348.db2.gz IVYJLRNCVODGIJ-JTQLQIEISA-N -1 3 258.350 3.068 20 0 CGADHM C[C@@H]1CCC[C@@H]1Nc1c(Cl)cccc1-c1nnn[n-]1 ZINC000820697945 599527874 /nfs/dbraw/zinc/52/78/74/599527874.db2.gz OHLCSUZCQHYAQW-KCJUWKMLSA-N -1 3 277.759 3.121 20 0 CGADHM C[C@@H]1CCC[C@@H]1Nc1c(Cl)cccc1-c1nn[n-]n1 ZINC000820697945 599527875 /nfs/dbraw/zinc/52/78/75/599527875.db2.gz OHLCSUZCQHYAQW-KCJUWKMLSA-N -1 3 277.759 3.121 20 0 CGADHM Clc1cccc(-c2nnn[n-]2)c1NCCCC1CC1 ZINC000822582448 599565200 /nfs/dbraw/zinc/56/52/00/599565200.db2.gz UHXPMYBPNUFRBN-UHFFFAOYSA-N -1 3 277.759 3.122 20 0 CGADHM Clc1cccc(-c2nn[n-]n2)c1NCCCC1CC1 ZINC000822582448 599565202 /nfs/dbraw/zinc/56/52/02/599565202.db2.gz UHXPMYBPNUFRBN-UHFFFAOYSA-N -1 3 277.759 3.122 20 0 CGADHM C/C(=C\CN(C)Cc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000825729293 601156973 /nfs/dbraw/zinc/15/69/73/601156973.db2.gz CHZXDJUEGTYBAN-YCRREMRBSA-N -1 3 288.174 3.456 20 0 CGADHM O=C([O-])c1coc(CN2CCSC3(CCCCC3)C2)c1 ZINC000833339376 601158490 /nfs/dbraw/zinc/15/84/90/601158490.db2.gz JXFQCVNFAMQBTC-UHFFFAOYSA-N -1 3 295.404 3.230 20 0 CGADHM C[C@@H](c1ccc2ccccc2c1)N1CC[C@@](F)(C(=O)[O-])C1 ZINC000827943095 601435725 /nfs/dbraw/zinc/43/57/25/601435725.db2.gz XKLZONYBTKIWLD-SJCJKPOMSA-N -1 3 287.334 3.399 20 0 CGADHM C(=Cc1ccc(-c2nnn[n-]2)cn1)c1coc2ccccc12 ZINC000823862042 607527121 /nfs/dbraw/zinc/52/71/21/607527121.db2.gz XJGRTDNUBMNWSX-VURMDHGXSA-N -1 3 289.298 3.178 20 0 CGADHM C(=Cc1ccc(-c2nn[n-]n2)cn1)c1coc2ccccc12 ZINC000823862042 607527122 /nfs/dbraw/zinc/52/71/22/607527122.db2.gz XJGRTDNUBMNWSX-VURMDHGXSA-N -1 3 289.298 3.178 20 0 CGADHM CC[C@@H](NCc1ccc(NC(=O)[O-])nc1)c1ccccc1 ZINC000826620014 603543569 /nfs/dbraw/zinc/54/35/69/603543569.db2.gz ODIWMUBONPIDTG-CQSZACIVSA-N -1 3 285.347 3.412 20 0 CGADHM CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2ccnc(Cl)c2)C1 ZINC000833420541 604931823 /nfs/dbraw/zinc/93/18/23/604931823.db2.gz UGEMHYDAEZQYLB-LBPRGKRZSA-N -1 3 296.798 3.058 20 0 CGADHM C[C@@H](NCCN(C(=O)[O-])C1CC1)c1ccc2ccccc2n1 ZINC000825495777 604960363 /nfs/dbraw/zinc/96/03/63/604960363.db2.gz JDARRHMKUXBTCU-GFCCVEGCSA-N -1 3 299.374 3.028 20 0 CGADHM C[C@@H](c1cccc(O)c1)N(C)Cc1ccccc1CC(=O)[O-] ZINC000833547910 605076373 /nfs/dbraw/zinc/07/63/73/605076373.db2.gz GLBKHTOVVNRJPW-ZDUSSCGKSA-N -1 3 299.370 3.212 20 0 CGADHM CC(C)(NCc1ccoc1C(=O)[O-])c1cccs1 ZINC000833461268 605093028 /nfs/dbraw/zinc/09/30/28/605093028.db2.gz ZGCGTOBIZWSKBW-UHFFFAOYSA-N -1 3 265.334 3.064 20 0 CGADHM CCc1onc(C)c1C=Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000899373386 620681460 /nfs/dbraw/zinc/68/14/60/620681460.db2.gz HUYFEZMYWLABCU-VOTSOKGWSA-N -1 3 271.320 3.089 20 0 CGADHM Cc1ccc([C@H](C)Nc2ccc(-c3nnn[n-]3)nc2)c(C)c1 ZINC000822229246 606050927 /nfs/dbraw/zinc/05/09/27/606050927.db2.gz PWVFWMYDNUHSSE-LBPRGKRZSA-N -1 3 294.362 3.052 20 0 CGADHM Cc1ccc([C@H](C)Nc2ccc(-c3nn[n-]n3)nc2)c(C)c1 ZINC000822229246 606050933 /nfs/dbraw/zinc/05/09/33/606050933.db2.gz PWVFWMYDNUHSSE-LBPRGKRZSA-N -1 3 294.362 3.052 20 0 CGADHM Cc1ccc(Cl)cc1Oc1ncccc1-c1nnn[n-]1 ZINC000822239881 606432789 /nfs/dbraw/zinc/43/27/89/606432789.db2.gz IZNLQKQYZIANLJ-UHFFFAOYSA-N -1 3 287.710 3.016 20 0 CGADHM CC[C@@H](C)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000820870624 606795803 /nfs/dbraw/zinc/79/58/03/606795803.db2.gz WIXVIJVPWBSMSL-SNVBAGLBSA-N -1 3 262.382 3.146 20 0 CGADHM CC[C@@H](C)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000820870624 606795804 /nfs/dbraw/zinc/79/58/04/606795804.db2.gz WIXVIJVPWBSMSL-SNVBAGLBSA-N -1 3 262.382 3.146 20 0 CGADHM FC1(F)CC[C@H](Nc2ccc(Cl)cc2-c2nnn[n-]2)C1 ZINC000822737403 606881966 /nfs/dbraw/zinc/88/19/66/606881966.db2.gz UDFXFHFGOACLJA-QMMMGPOBSA-N -1 3 299.712 3.120 20 0 CGADHM FC1(F)CC[C@H](Nc2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC000822737403 606881967 /nfs/dbraw/zinc/88/19/67/606881967.db2.gz UDFXFHFGOACLJA-QMMMGPOBSA-N -1 3 299.712 3.120 20 0 CGADHM c1ccc2oc(Sc3cccc(-c4nnn[n-]4)c3)nc2c1 ZINC000823762876 606945560 /nfs/dbraw/zinc/94/55/60/606945560.db2.gz VQZWSHGOUKBDIM-UHFFFAOYSA-N -1 3 295.327 3.159 20 0 CGADHM c1ccc2oc(Sc3cccc(-c4nn[n-]n4)c3)nc2c1 ZINC000823762876 606945561 /nfs/dbraw/zinc/94/55/61/606945561.db2.gz VQZWSHGOUKBDIM-UHFFFAOYSA-N -1 3 295.327 3.159 20 0 CGADHM Cc1ccc(CSc2ncccc2-c2nnn[n-]2)cc1C ZINC000822240133 606946733 /nfs/dbraw/zinc/94/67/33/606946733.db2.gz UAKFTHLKBWPAAS-UHFFFAOYSA-N -1 3 297.387 3.171 20 0 CGADHM Cc1ccc(CSc2ncccc2-c2nn[n-]n2)cc1C ZINC000822240133 606946734 /nfs/dbraw/zinc/94/67/34/606946734.db2.gz UAKFTHLKBWPAAS-UHFFFAOYSA-N -1 3 297.387 3.171 20 0 CGADHM C[C@@H](Sc1cccc(-c2nnn[n-]2)c1)c1cccnc1 ZINC000820557517 607013252 /nfs/dbraw/zinc/01/32/52/607013252.db2.gz ZNCPPRXVFPYTDD-SNVBAGLBSA-N -1 3 283.360 3.115 20 0 CGADHM C[C@@H](Sc1cccc(-c2nn[n-]n2)c1)c1cccnc1 ZINC000820557517 607013253 /nfs/dbraw/zinc/01/32/53/607013253.db2.gz ZNCPPRXVFPYTDD-SNVBAGLBSA-N -1 3 283.360 3.115 20 0 CGADHM CCC[C@@H](C)Nc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000825232363 608221015 /nfs/dbraw/zinc/22/10/15/608221015.db2.gz GKWNRCDVAFWGGR-SNVBAGLBSA-N -1 3 282.351 3.015 20 0 CGADHM CCC[C@@H](C)Nc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000825232363 608221017 /nfs/dbraw/zinc/22/10/17/608221017.db2.gz GKWNRCDVAFWGGR-SNVBAGLBSA-N -1 3 282.351 3.015 20 0 CGADHM Fc1c(CSc2cccs2)cccc1-c1nnn[n-]1 ZINC000826371116 608671898 /nfs/dbraw/zinc/67/18/98/608671898.db2.gz TWWDGIFLCDGWFC-UHFFFAOYSA-N -1 3 292.364 3.360 20 0 CGADHM Fc1c(CSc2cccs2)cccc1-c1nn[n-]n1 ZINC000826371116 608671899 /nfs/dbraw/zinc/67/18/99/608671899.db2.gz TWWDGIFLCDGWFC-UHFFFAOYSA-N -1 3 292.364 3.360 20 0 CGADHM Cc1cnc([C@H](C)Sc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000826317764 608886694 /nfs/dbraw/zinc/88/66/94/608886694.db2.gz MXLYVYYOQFPREC-VIFPVBQESA-N -1 3 287.348 3.016 20 0 CGADHM Cc1cnc([C@H](C)Sc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000826317764 608886696 /nfs/dbraw/zinc/88/66/96/608886696.db2.gz MXLYVYYOQFPREC-VIFPVBQESA-N -1 3 287.348 3.016 20 0 CGADHM C[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)s2)c2ccccc21 ZINC000824985133 609173575 /nfs/dbraw/zinc/17/35/75/609173575.db2.gz RWWINUDJCLHBRP-SNVBAGLBSA-N -1 3 297.387 3.052 20 0 CGADHM CSc1ccccc1COc1ccc(-c2nn[n-]n2)cc1 ZINC000826231668 609280436 /nfs/dbraw/zinc/28/04/36/609280436.db2.gz VDLSTHUWGVOYTH-UHFFFAOYSA-N -1 3 298.371 3.168 20 0 CGADHM Cc1ccc(C(=O)N2CC3(CC3)Oc3ccccc32)c([O-])c1 ZINC000890619527 617710358 /nfs/dbraw/zinc/71/03/58/617710358.db2.gz KWMJWWFIDPOWEQ-UHFFFAOYSA-N -1 3 295.338 3.272 20 0 CGADHM Cc1cc([C@@H]2CCCN2Cc2ccc([O-])c(F)c2)on1 ZINC000891718818 618257884 /nfs/dbraw/zinc/25/78/84/618257884.db2.gz OLLGFDZPYZWZOF-ZDUSSCGKSA-N -1 3 276.311 3.165 20 0 CGADHM O=C([N-]c1noc2c1CCCC2)c1ccc(C(F)F)o1 ZINC000900785035 620812036 /nfs/dbraw/zinc/81/20/36/620812036.db2.gz AKAZRKRRESITAV-UHFFFAOYSA-N -1 3 282.246 3.336 20 0 CGADHM CCn1ccnc1[C@@H](C)N[C@@H](C)c1cc([O-])cc(F)c1 ZINC000926533160 618727874 /nfs/dbraw/zinc/72/78/74/618727874.db2.gz OMYPRJBEBDZTON-WDEREUQCSA-N -1 3 277.343 3.160 20 0 CGADHM C[C@@H]1CC(/N=C/c2cc(Cl)ccc2[O-])C[C@H](C)O1 ZINC000162454614 618879986 /nfs/dbraw/zinc/87/99/86/618879986.db2.gz VYOHERBOOCNLTQ-BOPKQFDMSA-N -1 3 267.756 3.421 20 0 CGADHM [O-]c1ccc(CNc2ccc(N3CCCC3)cn2)cc1F ZINC000892641260 618883245 /nfs/dbraw/zinc/88/32/45/618883245.db2.gz XOUOAORCQYIDMH-UHFFFAOYSA-N -1 3 287.338 3.139 20 0 CGADHM CC(C)(C)n1cc(NCc2ccc([O-])c(F)c2)cn1 ZINC000893247298 619043379 /nfs/dbraw/zinc/04/33/79/619043379.db2.gz ZMVHRTJDORRFGY-UHFFFAOYSA-N -1 3 263.316 3.095 20 0 CGADHM Cc1nc(N[C@@H](C)CCCC(F)(F)F)cc(=O)[n-]1 ZINC000893479719 619188858 /nfs/dbraw/zinc/18/88/58/619188858.db2.gz BNHXIULCNAVTND-ZETCQYMHSA-N -1 3 263.263 3.024 20 0 CGADHM COc1ccc([O-])c(C(=O)Nc2cccc3cnccc32)c1 ZINC000314898350 619238274 /nfs/dbraw/zinc/23/82/74/619238274.db2.gz GUHFHGPJHGRDLK-UHFFFAOYSA-N -1 3 294.310 3.201 20 0 CGADHM N#CC(=C([O-])C=Cc1ccccc1F)c1ccccn1 ZINC000048540339 619507625 /nfs/dbraw/zinc/50/76/25/619507625.db2.gz LNEFHNLIHOZHHA-XEHSLEBBSA-N -1 3 266.275 3.110 20 0 CGADHM CC(C)c1ccccc1OCCC(=O)[N-]OC/C=C/Cl ZINC000794289902 619740834 /nfs/dbraw/zinc/74/08/34/619740834.db2.gz IXLKHOZOFYBKDA-WEVVVXLNSA-N -1 3 297.782 3.379 20 0 CGADHM COC(C)(C)[C@H](C)NC(=O)c1cc2sccc2c([O-])c1 ZINC000928602010 619920833 /nfs/dbraw/zinc/92/08/33/619920833.db2.gz HZOHVKGHXGGYAQ-VIFPVBQESA-N -1 3 293.388 3.150 20 0 CGADHM O=C(Nc1ccc(Cl)cc1[O-])C1(C2CC2)CC1 ZINC000897192952 620157359 /nfs/dbraw/zinc/15/73/59/620157359.db2.gz PIYDXRJTKGJYHL-UHFFFAOYSA-N -1 3 251.713 3.174 20 0 CGADHM CC/C=C/CCSCCC[N-]C(=O)C(F)(F)F ZINC000185717953 625423925 /nfs/dbraw/zinc/42/39/25/625423925.db2.gz GDWMBWUESKRDET-ONEGZZNKSA-N -1 3 269.332 3.145 20 0 CGADHM CCCCCC[C@@H](C)C(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000898216106 620489071 /nfs/dbraw/zinc/48/90/71/620489071.db2.gz NDZVUDPSSHQGTH-OLZOCXBDSA-N -1 3 293.411 3.038 20 0 CGADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCC=C(Cl)C1 ZINC000898197402 620493537 /nfs/dbraw/zinc/49/35/37/620493537.db2.gz RAIVPHCQTQAHSF-UHFFFAOYSA-N -1 3 297.757 3.209 20 0 CGADHM Cc1ccc2cc(CN3CCC4(C[C@@H]4C(=O)[O-])CC3)[nH]c2c1 ZINC000901501287 620903245 /nfs/dbraw/zinc/90/32/45/620903245.db2.gz VHOSZHFQFXYIAW-OAHLLOKOSA-N -1 3 298.386 3.163 20 0 CGADHM Cc1cc(CN2CC3(CCC3)[C@@](F)(C(=O)[O-])C2)c(C)s1 ZINC000901909897 621066850 /nfs/dbraw/zinc/06/68/50/621066850.db2.gz FFVSPSLEZAWNQF-HNNXBMFYSA-N -1 3 297.395 3.144 20 0 CGADHM O=C([O-])c1coc(CNC2CC(c3cccc(F)c3)C2)c1 ZINC000901957481 621080287 /nfs/dbraw/zinc/08/02/87/621080287.db2.gz QHRSILLWWNMCCV-UHFFFAOYSA-N -1 3 289.306 3.153 20 0 CGADHM Cc1occc1CN1C[C@H](C2CCCCC2)C[C@@H]1C(=O)[O-] ZINC000902048481 621116472 /nfs/dbraw/zinc/11/64/72/621116472.db2.gz WKSPLEBORRPVLX-HZPDHXFCSA-N -1 3 291.391 3.443 20 0 CGADHM O=C([O-])c1occc1CN[C@H]1CCc2cc(Cl)ccc21 ZINC000902173608 621185560 /nfs/dbraw/zinc/18/55/60/621185560.db2.gz WDBSMVPBHMZXBF-ZDUSSCGKSA-N -1 3 291.734 3.408 20 0 CGADHM O=C([O-])c1ccccc1-c1ccc(CN[C@@H]2CC23CC3)o1 ZINC000902274671 621238129 /nfs/dbraw/zinc/23/81/29/621238129.db2.gz YOUKPTDGWBIFQZ-OAHLLOKOSA-N -1 3 283.327 3.287 20 0 CGADHM C[C@@H](CNCc1cc(C(=O)[O-])co1)Sc1ccccc1 ZINC000902314804 621250373 /nfs/dbraw/zinc/25/03/73/621250373.db2.gz FZKCEJUMXGENQH-NSHDSACASA-N -1 3 291.372 3.248 20 0 CGADHM C[C@H]1CCc2ccccc2[C@H]1NCc1cc(C(=O)[O-])co1 ZINC000902338316 621271942 /nfs/dbraw/zinc/27/19/42/621271942.db2.gz PNGYXIWYOCONBB-ZBEGNZNMSA-N -1 3 285.343 3.391 20 0 CGADHM CCSCC[C@@H](C)N(C)Cc1ccc(/C=C/C(=O)[O-])o1 ZINC000902524974 621362227 /nfs/dbraw/zinc/36/22/27/621362227.db2.gz WMAIMNLIAQXZKP-ABZNLYFFSA-N -1 3 297.420 3.341 20 0 CGADHM C[C@H](N[C@@H](c1ncccn1)C1CC1)c1cccc([O-])c1F ZINC000903321839 621676066 /nfs/dbraw/zinc/67/60/66/621676066.db2.gz DVCXCXLDYYYQJD-ZUZCIYMTSA-N -1 3 287.338 3.123 20 0 CGADHM COc1ccc(C(=O)[O-])cc1CN1CCCC2(CC2)CC1 ZINC000903605601 621770712 /nfs/dbraw/zinc/77/07/12/621770712.db2.gz BBOKTDJSERJLOH-UHFFFAOYSA-N -1 3 289.375 3.160 20 0 CGADHM CC[C@@H](C)[C@H](C(=O)[O-])N(CC)Cc1c(F)cccc1F ZINC000903596077 621774068 /nfs/dbraw/zinc/77/40/68/621774068.db2.gz QVXGROHDOOXCKA-QMTHXVAHSA-N -1 3 285.334 3.286 20 0 CGADHM CC[C@H](C)[C@H](C(=O)[O-])N1CCC[C@H]1c1ccc(COC)o1 ZINC000903597339 621774595 /nfs/dbraw/zinc/77/45/95/621774595.db2.gz LNDKYGWJMZPNOM-CORIIIEPSA-N -1 3 295.379 3.062 20 0 CGADHM O=C([O-])c1ccc(CN2CCC[C@@H]2c2ccncc2)s1 ZINC000903688104 621785549 /nfs/dbraw/zinc/78/55/49/621785549.db2.gz RQVBKPVUKIPROY-CYBMUJFWSA-N -1 3 288.372 3.178 20 0 CGADHM CC[C@H](CNCc1c(Cl)cccc1Cl)C(=O)[O-] ZINC000903705806 621795020 /nfs/dbraw/zinc/79/50/20/621795020.db2.gz YYYKJKUMIUBPCJ-MRVPVSSYSA-N -1 3 276.163 3.194 20 0 CGADHM CCC[C@@]1(C)CCCN(Cc2cncc(C(=O)[O-])c2)C1 ZINC000903893883 621827431 /nfs/dbraw/zinc/82/74/31/621827431.db2.gz JTYIWCRXIZJGLB-INIZCTEOSA-N -1 3 276.380 3.182 20 0 CGADHM CCc1ccccc1[C@H](CC(=O)[O-])NCc1cncs1 ZINC000904032379 621855988 /nfs/dbraw/zinc/85/59/88/621855988.db2.gz MTDBNQLEWIPIBV-AWEZNQCLSA-N -1 3 290.388 3.011 20 0 CGADHM CCCCCC[C@H](C)NC(=O)NN=c1nc(C)cc(C)[n-]1 ZINC000043000733 622026874 /nfs/dbraw/zinc/02/68/74/622026874.db2.gz FFCWRCZCKCDRRI-NSHDSACASA-N -1 3 293.415 3.078 20 0 CGADHM CC(C)(C)c1cnc(CN[C@@H]2CC[C@H](CC(=O)[O-])C2)s1 ZINC000905811087 622113363 /nfs/dbraw/zinc/11/33/63/622113363.db2.gz QKKJXRIVYINATO-WDEREUQCSA-N -1 3 296.436 3.174 20 0 CGADHM O=C([N-]OC/C=C\Cl)C1(C2CCCCC2)CC1 ZINC000908311121 622341116 /nfs/dbraw/zinc/34/11/16/622341116.db2.gz HCRPRAMDVANCCN-WTKPLQERSA-N -1 3 257.761 3.147 20 0 CGADHM O=c1cc(N2CCC(c3ccc4[nH]ccc4c3)CC2)nc[n-]1 ZINC000912484612 622668406 /nfs/dbraw/zinc/66/84/06/622668406.db2.gz MWIMFRHEOXNLMC-UHFFFAOYSA-N -1 3 294.358 3.048 20 0 CGADHM O=C([N-][C@@H]1CCCc2ccccc21)C(F)(F)C(F)F ZINC000226596755 622981636 /nfs/dbraw/zinc/98/16/36/622981636.db2.gz JAQIOOSOMQQIRY-SNVBAGLBSA-N -1 3 275.245 3.081 20 0 CGADHM O=C(Nc1n[n-]c(-c2ccco2)n1)C1CCCCCCC1 ZINC000172897905 623290876 /nfs/dbraw/zinc/29/08/76/623290876.db2.gz WLOABEQEAOBOTG-UHFFFAOYSA-N -1 3 288.351 3.364 20 0 CGADHM C[C@H]1C[C@@H](CC(=O)[N-]OCc2cccnc2)CC(C)(C)C1 ZINC000152448066 623661991 /nfs/dbraw/zinc/66/19/91/623661991.db2.gz AISFIRLVDWIFBH-ZFWWWQNUSA-N -1 3 290.407 3.482 20 0 CGADHM CC1=CC[C@@](C)(C(=O)[N-]OCCC(F)(F)F)CC1 ZINC000832553227 623743863 /nfs/dbraw/zinc/74/38/63/623743863.db2.gz NKWDNBCUDUITRL-LLVKDONJSA-N -1 3 265.275 3.123 20 0 CGADHM CC[C@@H](CO)Sc1nnc([N-]c2ccccc2F)s1 ZINC000915673842 624018126 /nfs/dbraw/zinc/01/81/26/624018126.db2.gz BOESWOLIEDBKKR-QMMMGPOBSA-N -1 3 299.396 3.284 20 0 CGADHM COc1ccc(OC(=O)c2cc3ccsc3[n-]2)cc1 ZINC000916852775 624220422 /nfs/dbraw/zinc/22/04/22/624220422.db2.gz MDCRRBRWXLOWSE-UHFFFAOYSA-N -1 3 273.313 3.457 20 0 CGADHM CCc1cccc(CC(=O)[N-]OCc2ccc(F)cc2)c1 ZINC000184152684 625207039 /nfs/dbraw/zinc/20/70/39/625207039.db2.gz QFEJHJIXZDMHLC-UHFFFAOYSA-N -1 3 287.334 3.179 20 0 CGADHM COCCCO[N-]C(=O)CC(C)(C)C1CCCCC1 ZINC000805037136 626449952 /nfs/dbraw/zinc/44/99/52/626449952.db2.gz MSRVOZZLTWDYFF-UHFFFAOYSA-N -1 3 271.401 3.067 20 0 CGADHM Cc1ccc(C=Cc2nccc(=O)[n-]2)c(Br)c1 ZINC000753716811 626463182 /nfs/dbraw/zinc/46/31/82/626463182.db2.gz GVGNPVFBRKHVGG-PLNGDYQASA-N -1 3 291.148 3.424 20 0 CGADHM O=C(OCC[C@@H]1CCCCO1)c1cccc(Cl)c1[O-] ZINC000754877517 626592142 /nfs/dbraw/zinc/59/21/42/626592142.db2.gz FDOSBGIFSFRRGW-JTQLQIEISA-N -1 3 284.739 3.162 20 0 CGADHM Cc1noc(C)c1[N-]C(=O)c1cc(Cl)cs1 ZINC000758156227 626831218 /nfs/dbraw/zinc/83/12/18/626831218.db2.gz ZGMSRPWWNCKWSD-UHFFFAOYSA-N -1 3 256.714 3.259 20 0 CGADHM O=C([N-]Cc1ccccc1F)C(F)(F)c1ccccc1F ZINC000759209975 626881547 /nfs/dbraw/zinc/88/15/47/626881547.db2.gz RJAOWGMFEPCPSU-UHFFFAOYSA-N -1 3 297.251 3.373 20 0 CGADHM C/C(=C\C(=O)[N-]OCC(F)F)c1ccccc1Cl ZINC000759338765 626888943 /nfs/dbraw/zinc/88/89/43/626888943.db2.gz KWOCAMYXUURQMW-SOFGYWHQSA-N -1 3 275.682 3.056 20 0 CGADHM Cc1ccc(OC(F)F)c(C=Cc2nccc(=O)[n-]2)c1 ZINC000764441275 627208023 /nfs/dbraw/zinc/20/80/23/627208023.db2.gz FRVLBBIODPVRMA-HYXAFXHYSA-N -1 3 278.258 3.262 20 0 CGADHM O=C(/C=C\c1ccccc1F)NCc1ccc([O-])c(F)c1 ZINC000769559956 627567015 /nfs/dbraw/zinc/56/70/15/627567015.db2.gz QNAVEZTZMJUJQP-VURMDHGXSA-N -1 3 289.281 3.000 20 0 CGADHM Cc1cccnc1NC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000769702323 627573436 /nfs/dbraw/zinc/57/34/36/627573436.db2.gz YHMTVWSMQHAUEG-UHFFFAOYSA-N -1 3 282.343 3.227 20 0 CGADHM CCSc1cccc(C=Cc2nccc(=O)[n-]2)c1 ZINC000769740322 627575463 /nfs/dbraw/zinc/57/54/63/627575463.db2.gz APVZWLOVFRCMEV-VOTSOKGWSA-N -1 3 258.346 3.465 20 0 CGADHM CCCCOCCOC(=O)c1cccc(Cl)c1[O-] ZINC000805524182 628028864 /nfs/dbraw/zinc/02/88/64/628028864.db2.gz RZZNSBJJEJHSSM-UHFFFAOYSA-N -1 3 272.728 3.019 20 0 CGADHM CCOc1ccccc1CCC(=O)[N-]OC1CCCCC1 ZINC000777964118 628316336 /nfs/dbraw/zinc/31/63/36/628316336.db2.gz OGSVAGDMLJULNX-UHFFFAOYSA-N -1 3 291.391 3.398 20 0 CGADHM Cc1cccc([O-])c1NC(=O)C(=O)c1ccc2c(c1)CCC2 ZINC000778956865 628379784 /nfs/dbraw/zinc/37/97/84/628379784.db2.gz TZVBRDGQTXEZGY-UHFFFAOYSA-N -1 3 295.338 3.011 20 0 CGADHM CO[C@@H]1Cc2ccc(NC(=O)c3ccc(C)cc3[O-])cc2C1 ZINC000784227129 628796173 /nfs/dbraw/zinc/79/61/73/628796173.db2.gz XPBXKTQUFHKEDT-OAHLLOKOSA-N -1 3 297.354 3.067 20 0 CGADHM COCC[C@@H](C)OC(=O)c1cc2sccc2c([O-])c1 ZINC000786130761 628915739 /nfs/dbraw/zinc/91/57/39/628915739.db2.gz IPSHAVBQXAYOGL-SECBINFHSA-N -1 3 280.345 3.189 20 0 CGADHM C[C@@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1ccc[nH]1 ZINC000787170546 628998368 /nfs/dbraw/zinc/99/83/68/628998368.db2.gz YJJKWEQNHLJRLQ-LLVKDONJSA-N -1 3 290.338 3.060 20 0 CGADHM Cc1cccnc1CNC(=O)c1cc2sccc2c([O-])c1 ZINC000788301781 629045148 /nfs/dbraw/zinc/04/51/48/629045148.db2.gz UVPPHBPCJWNISR-UHFFFAOYSA-N -1 3 298.367 3.240 20 0 CGADHM O=C(CCc1ccc(Cl)c(F)c1)[N-]OCC1CCC1 ZINC000862232929 629327711 /nfs/dbraw/zinc/32/77/11/629327711.db2.gz NCHDBRGKUHMXJH-UHFFFAOYSA-N -1 3 285.746 3.260 20 0 CGADHM CCCCC[C@H](C)CC(=O)NCc1ncccc1[O-] ZINC000792610129 629370981 /nfs/dbraw/zinc/37/09/81/629370981.db2.gz MKFKULFZAURFBD-LBPRGKRZSA-N -1 3 264.369 3.010 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)Cc1c[nH]c2cccc(C)c12 ZINC000794844349 629586826 /nfs/dbraw/zinc/58/68/26/629586826.db2.gz ZCRBZXRPJQUIGC-LLVKDONJSA-N -1 3 274.364 3.113 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)CCc1cc(C)cc(C)c1 ZINC000794866037 629591691 /nfs/dbraw/zinc/59/16/91/629591691.db2.gz SNMBYYBLHVGERW-GFCCVEGCSA-N -1 3 263.381 3.330 20 0 CGADHM CC[C@@H](C)CCC(=O)[N-]OCc1ccc(F)cc1 ZINC000803105848 630448129 /nfs/dbraw/zinc/44/81/29/630448129.db2.gz RYNJXMUBMYNRFL-LLVKDONJSA-N -1 3 253.317 3.200 20 0 CGADHM Cc1ccc2[nH]cc(CCC(=O)[N-]OC/C=C\Cl)c2c1 ZINC000812400745 631245096 /nfs/dbraw/zinc/24/50/96/631245096.db2.gz QRHCRLAZYBWGNG-UQCOIBPSSA-N -1 3 292.766 3.209 20 0 CGADHM CON(C[C@H]1CCC[C@@H](C)C1)C(=O)c1ccccc1[O-] ZINC000812424243 631257543 /nfs/dbraw/zinc/25/75/43/631257543.db2.gz FJKQLUYMUAYAGU-OLZOCXBDSA-N -1 3 277.364 3.222 20 0 CGADHM CC(C)OCCO[N-]C(=O)CCCc1ccccc1Cl ZINC000812801379 631315794 /nfs/dbraw/zinc/31/57/94/631315794.db2.gz RXUNJYHPKVBWJO-UHFFFAOYSA-N -1 3 299.798 3.136 20 0 CGADHM Cc1cccc2c1N(Cc1ccc([O-])c(F)c1)CC2 ZINC000813338263 631412470 /nfs/dbraw/zinc/41/24/70/631412470.db2.gz ZACDYTYCRSCDNJ-UHFFFAOYSA-N -1 3 257.308 3.402 20 0 CGADHM COC(=O)c1cc(C(=O)O[C@H](C)c2cccc(C)c2)c[n-]1 ZINC000814530991 631601121 /nfs/dbraw/zinc/60/11/21/631601121.db2.gz NBZKMKOIWOFQLR-LLVKDONJSA-N -1 3 287.315 3.028 20 0 CGADHM Cc1cccc(CCC(=O)[N-]Oc2ccccc2)c1 ZINC000816685381 632042691 /nfs/dbraw/zinc/04/26/91/632042691.db2.gz NSXVXIOAOHDVJK-UHFFFAOYSA-N -1 3 255.317 3.038 20 0 CGADHM CCOc1ccccc1CCC(=O)[N-]Oc1ccccc1 ZINC000816684713 632042962 /nfs/dbraw/zinc/04/29/62/632042962.db2.gz NKFQGILZCZPJSZ-UHFFFAOYSA-N -1 3 285.343 3.128 20 0 CGADHM O=C(CCCCCc1ccc(F)cc1)[N-]OCC1CC1 ZINC000817324445 632120208 /nfs/dbraw/zinc/12/02/08/632120208.db2.gz DDKSKFJRISCKOH-UHFFFAOYSA-N -1 3 279.355 3.386 20 0 CGADHM COc1ccc([C@H](C)CC(=O)[N-]OCCC2CC2)cc1 ZINC000817383596 632136144 /nfs/dbraw/zinc/13/61/44/632136144.db2.gz QCGOZBLGBOVGFU-GFCCVEGCSA-N -1 3 277.364 3.037 20 0 CGADHM CC(C)(C)c1ccc(CC(=O)[N-]OCCC2CC2)cc1 ZINC000817403188 632136912 /nfs/dbraw/zinc/13/69/12/632136912.db2.gz CCOSRGUVQIBAGD-UHFFFAOYSA-N -1 3 275.392 3.375 20 0 CGADHM Cc1ccccc1[C@@H](C)CC(=O)[N-]OCCC1CC1 ZINC000817399396 632137183 /nfs/dbraw/zinc/13/71/83/632137183.db2.gz KCHWRWKHDOEUAZ-ZDUSSCGKSA-N -1 3 261.365 3.337 20 0 CGADHM O=C(Cc1cccc(Cl)c1Cl)[N-]OCCC1CC1 ZINC000817393262 632137417 /nfs/dbraw/zinc/13/74/17/632137417.db2.gz MDDBFFXJSGCIEG-UHFFFAOYSA-N -1 3 288.174 3.384 20 0 CGADHM C[C@@H](CC(=O)[N-]OCCC1CC1)c1ccc(F)cc1F ZINC000817403978 632138328 /nfs/dbraw/zinc/13/83/28/632138328.db2.gz UCIAAFLOMWOXBX-JTQLQIEISA-N -1 3 283.318 3.306 20 0 CGADHM CC(C)[C@H](CNC(=O)c1ccc(N)cc1[O-])c1ccccc1 ZINC000817920493 632234870 /nfs/dbraw/zinc/23/48/70/632234870.db2.gz NQSHJZVSYWBNLA-INIZCTEOSA-N -1 3 298.386 3.144 20 0 CGADHM CC(C)CC[C@H]1CCCCN1C(=O)c1ccc(N)cc1[O-] ZINC000817961749 632257770 /nfs/dbraw/zinc/25/77/70/632257770.db2.gz BNXKPFANOQKVNO-CQSZACIVSA-N -1 3 290.407 3.405 20 0 CGADHM C[C@H](F)CCNC(=O)c1cc2sccc2c([O-])c1 ZINC000818298570 632306375 /nfs/dbraw/zinc/30/63/75/632306375.db2.gz WQBVVVPABMMJOG-QMMMGPOBSA-N -1 3 267.325 3.085 20 0 CGADHM COc1ccc([C@@H](C)CC(=O)[N-]Oc2ccccc2)cc1 ZINC000820049360 632566012 /nfs/dbraw/zinc/56/60/12/632566012.db2.gz TWTXUYLKDUGDEW-ZDUSSCGKSA-N -1 3 285.343 3.299 20 0 CGADHM CCC(F)(F)C(=O)[N-]Cc1ccc(OC(F)(F)F)cc1 ZINC000820147564 632577327 /nfs/dbraw/zinc/57/73/27/632577327.db2.gz WUGMXPXHTRXKFZ-UHFFFAOYSA-N -1 3 297.223 3.247 20 0 CGADHM CSc1ccc([O-])c(C(=O)N[C@@H](C)Cc2ccco2)c1 ZINC000821705142 632810963 /nfs/dbraw/zinc/81/09/63/632810963.db2.gz GISFQNAUVQFSNV-JTQLQIEISA-N -1 3 291.372 3.068 20 0 CGADHM CC(C)(CC(=O)[N-]OCCCC(F)(F)F)C1CC1 ZINC000871216625 633730964 /nfs/dbraw/zinc/73/09/64/633730964.db2.gz ZWWNOFXNRPMOHX-UHFFFAOYSA-N -1 3 267.291 3.203 20 0 CGADHM Cc1c2occ([O-])c2ccc1OCC[C@@H](O)c1ccccc1 ZINC000871799920 633871910 /nfs/dbraw/zinc/87/19/10/633871910.db2.gz SNYZZROWQIPTRE-OAHLLOKOSA-N -1 3 298.338 3.073 20 0 CGADHM C[C@H](N[C@@H](C)c1cccc([O-])c1F)c1ccccn1 ZINC000872017149 633936799 /nfs/dbraw/zinc/93/67/99/633936799.db2.gz VGNMMEPXLVUKII-QWRGUYRKSA-N -1 3 260.312 3.338 20 0 CGADHM C[C@@H](N[C@H](C)c1cccc([O-])c1F)c1cccnc1 ZINC000872019424 633940124 /nfs/dbraw/zinc/94/01/24/633940124.db2.gz WPDSDNUHNZCCOF-GHMZBOCLSA-N -1 3 260.312 3.338 20 0 CGADHM Cc1csc(CN[C@@H](C)c2cccc([O-])c2F)n1 ZINC000872022268 633942589 /nfs/dbraw/zinc/94/25/89/633942589.db2.gz WPGASZXJIVCLKR-VIFPVBQESA-N -1 3 266.341 3.147 20 0 CGADHM CC(C)c1cc(CN[C@H](C)c2cccc([O-])c2F)on1 ZINC000872036022 633955822 /nfs/dbraw/zinc/95/58/22/633955822.db2.gz RPQXAJOQDHAJAL-SNVBAGLBSA-N -1 3 278.327 3.494 20 0 CGADHM CCCn1cc(N[C@@H](C)c2cccc([O-])c2F)cn1 ZINC000872056106 633979005 /nfs/dbraw/zinc/97/90/05/633979005.db2.gz OTRLORGTOZFGLJ-JTQLQIEISA-N -1 3 263.316 3.311 20 0 CGADHM CCc1nc(C)c(CN[C@H](C)c2cccc([O-])c2F)o1 ZINC000872074333 633997454 /nfs/dbraw/zinc/99/74/54/633997454.db2.gz WLMAARMXNSKRLX-SECBINFHSA-N -1 3 278.327 3.241 20 0 CGADHM C[C@@H](N[C@@H]1C[C@H]1C(F)(F)F)c1cccc([O-])c1F ZINC000872093629 634018409 /nfs/dbraw/zinc/01/84/09/634018409.db2.gz WEMHOJCOLRJNDR-FTLITQJKSA-N -1 3 263.234 3.133 20 0 CGADHM CC(C)(CC(F)(F)F)C(=O)[N-]OC1CCCCC1 ZINC000832552704 634071552 /nfs/dbraw/zinc/07/15/52/634071552.db2.gz CYDFKSSHRUGEAR-UHFFFAOYSA-N -1 3 267.291 3.346 20 0 CGADHM CCc1cccc(C(=O)N2CCC(CSC)CC2)c1[O-] ZINC000834358936 634152665 /nfs/dbraw/zinc/15/26/65/634152665.db2.gz YVJBBFIQGRNWSU-UHFFFAOYSA-N -1 3 293.432 3.170 20 0 CGADHM CC(C)COc1ccccc1C=Cc1nccc(=O)[n-]1 ZINC000834429921 634166805 /nfs/dbraw/zinc/16/68/05/634166805.db2.gz ANWDOXIBLRCZBP-BQYQJAHWSA-N -1 3 270.332 3.387 20 0 CGADHM CSc1ccc([O-])c(C(=O)N[C@H]2CCS[C@H](C)C2)c1 ZINC000834625971 634201383 /nfs/dbraw/zinc/20/13/83/634201383.db2.gz GGFRLIHVQVUIOL-ZJUUUORDSA-N -1 3 297.445 3.128 20 0 CGADHM COCCCCN(C)C(=O)c1cc2sccc2c([O-])c1 ZINC000841465756 635180542 /nfs/dbraw/zinc/18/05/42/635180542.db2.gz LTKGUDMPWHEUGV-UHFFFAOYSA-N -1 3 293.388 3.106 20 0 CGADHM CC(C)(C)CC(=O)[N-]OCc1ccc(CF)cc1 ZINC000842060709 635269836 /nfs/dbraw/zinc/26/98/36/635269836.db2.gz BJVROVPIVQWGJN-UHFFFAOYSA-N -1 3 253.317 3.140 20 0 CGADHM CCCCCC[C@@H](C)c1nc(-c2cc(=O)[n-]cn2)no1 ZINC000843030320 635547090 /nfs/dbraw/zinc/54/70/90/635547090.db2.gz YHLWZAAPWFWUDM-SNVBAGLBSA-N -1 3 276.340 3.306 20 0 CGADHM CCCO[N-]C(=O)CCCc1ccc(Cl)cc1 ZINC000844082650 635816379 /nfs/dbraw/zinc/81/63/79/635816379.db2.gz MUFKCDBZWXGRDD-UHFFFAOYSA-N -1 3 255.745 3.121 20 0 CGADHM CCCO[N-]C(=O)C[C@@H]1C[C@H](C)c2c1cccc2C ZINC000844087100 635818465 /nfs/dbraw/zinc/81/84/65/635818465.db2.gz HWYQLTKWTVBNNS-STQMWFEESA-N -1 3 261.365 3.434 20 0 CGADHM CCCO[N-]C(=O)CC(C)(C)CC(=O)c1ccc(C)cc1 ZINC000844088743 635819191 /nfs/dbraw/zinc/81/91/91/635819191.db2.gz ZNMRRSLIRRKVOG-UHFFFAOYSA-N -1 3 291.391 3.442 20 0 CGADHM CCCO[N-]C(=O)CCCc1ccccc1Cl ZINC000844088269 635819439 /nfs/dbraw/zinc/81/94/39/635819439.db2.gz NJWCHXPCKMRWTP-UHFFFAOYSA-N -1 3 255.745 3.121 20 0 CGADHM Cc1ccccc1C1(NC(=O)c2ccc(N)cc2[O-])CCC1 ZINC000846685517 636217312 /nfs/dbraw/zinc/21/73/12/636217312.db2.gz CQRJKGCXUCXOQY-UHFFFAOYSA-N -1 3 296.370 3.092 20 0 CGADHM F[C@@H]1CCc2ccccc2[C@H]1[N-]c1nnc(C2CC2)o1 ZINC000882991599 636494304 /nfs/dbraw/zinc/49/43/04/636494304.db2.gz DRLDOWFSEBSNBG-CHWSQXEVSA-N -1 3 273.311 3.385 20 0 CGADHM O=C(CCCc1c(F)cccc1F)[N-]OC/C=C\Cl ZINC000848105593 636530136 /nfs/dbraw/zinc/53/01/36/636530136.db2.gz XJSPMSXEPPJSLP-BAQGIRSFSA-N -1 3 289.709 3.088 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)C[C@H]1OCc2cc(Cl)ccc21 ZINC000848121056 636532660 /nfs/dbraw/zinc/53/26/60/636532660.db2.gz UIPOPHQJMSTUKJ-IINYFYTJSA-N -1 3 297.782 3.395 20 0 CGADHM CCc1oc2ccccc2c1C=Cc1nccc(=O)[n-]1 ZINC000131743400 636746287 /nfs/dbraw/zinc/74/62/87/636746287.db2.gz ROXJSCZFNPHTAF-BQYQJAHWSA-N -1 3 266.300 3.249 20 0 CGADHM CC(C)(C)c1ccc(C=Cc2nccc(=O)[n-]2)cc1 ZINC000131789477 636750373 /nfs/dbraw/zinc/75/03/73/636750373.db2.gz WUWGUNLAUBVBBI-RMKNXTFCSA-N -1 3 254.333 3.238 20 0 CGADHM CC1(C)C[C@]1(C[N-]C(=O)C(F)(F)F)c1ccccc1 ZINC000851901381 637537273 /nfs/dbraw/zinc/53/72/73/637537273.db2.gz DMIXGKDCVUXBGJ-ZDUSSCGKSA-N -1 3 271.282 3.033 20 0 CGADHM C[C@@H]1COC[C@H]1OC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000853198755 637780576 /nfs/dbraw/zinc/78/05/76/637780576.db2.gz LIUQGLJZLWOVEK-HZGVNTEJSA-N -1 3 285.752 3.075 20 0 CGADHM CCc1[n-]n([C@H]2CC(C)(C)OC2(C)C)c(=O)c1C(C)C ZINC000887297214 637791519 /nfs/dbraw/zinc/79/15/19/637791519.db2.gz WSKYWLMEGIQELC-STQMWFEESA-N -1 3 280.412 3.213 20 0 CGADHM CC(C)=CCCO[N-]C(=O)CCCc1ccccc1 ZINC000853663486 637886065 /nfs/dbraw/zinc/88/60/65/637886065.db2.gz DAYPXDVOMBLNDX-UHFFFAOYSA-N -1 3 261.365 3.413 20 0 CGADHM O=c1ccc(-c2ccc(OC[C@H]3CCCO3)cc2)c(F)[n-]1 ZINC000854189876 638013468 /nfs/dbraw/zinc/01/34/68/638013468.db2.gz RERGVSRQKLSVOS-CYBMUJFWSA-N -1 3 289.306 3.151 20 0 CGADHM Cc1ccc(C(=O)N2CC[C@@H]2C2CCCC2)c([O-])c1 ZINC000889404744 638022646 /nfs/dbraw/zinc/02/26/46/638022646.db2.gz ANWHIMCKUUKQIZ-CQSZACIVSA-N -1 3 259.349 3.105 20 0 CGADHM CC(C)(F)CCNC(=O)c1cc([O-])c2ccccc2c1 ZINC000855746199 638243254 /nfs/dbraw/zinc/24/32/54/638243254.db2.gz UXHPYCCISUOCBC-UHFFFAOYSA-N -1 3 275.323 3.413 20 0 CGADHM CC[C@H](NC(=O)c1cc([O-])c2ccccc2c1)C1CC1 ZINC000855857557 638266832 /nfs/dbraw/zinc/26/68/32/638266832.db2.gz KHCMAGHXQLROCO-HNNXBMFYSA-N -1 3 269.344 3.464 20 0 CGADHM O=C(CCCc1c[nH]c2ccccc12)[N-]OCC1CCC1 ZINC000856342549 638344707 /nfs/dbraw/zinc/34/47/07/638344707.db2.gz KJCISOHRMBCUKH-UHFFFAOYSA-N -1 3 286.375 3.339 20 0 CGADHM C[C@]1(C(=O)[N-]OCC2CCC2)C[C@@H]1c1ccccc1 ZINC000856344680 638346138 /nfs/dbraw/zinc/34/61/38/638346138.db2.gz SIKONFTVNKJMQP-ZBFHGGJFSA-N -1 3 259.349 3.028 20 0 CGADHM C[C@H]1C[C@@H]1c1ccc(CCC(=O)[N-]OCC2CCC2)o1 ZINC000856344359 638346149 /nfs/dbraw/zinc/34/61/49/638346149.db2.gz IUZUBQWFCBDXDB-FZMZJTMJSA-N -1 3 277.364 3.184 20 0 CGADHM COc1cccc([C@H](C)CC(=O)[N-]OCC2CCC2)c1 ZINC000856348199 638349161 /nfs/dbraw/zinc/34/91/61/638349161.db2.gz UIKFMPQVGIRTBP-GFCCVEGCSA-N -1 3 277.364 3.037 20 0 CGADHM C[C@H]1CC[C@@H](NC(=O)c2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000857184619 638468113 /nfs/dbraw/zinc/46/81/13/638468113.db2.gz BANTXWYONJQAAL-GZMMTYOYSA-N -1 3 287.281 3.329 20 0 CGADHM Cc1ccc(NC(=O)c2[n-]cnc2C(F)(F)F)c(F)c1 ZINC000857434141 638505618 /nfs/dbraw/zinc/50/56/18/638505618.db2.gz XYPUWSVISGBURT-UHFFFAOYSA-N -1 3 287.216 3.128 20 0 CGADHM Cc1ccc(NC(=O)c2nc[n-]c2C(F)(F)F)c(F)c1 ZINC000857434141 638505624 /nfs/dbraw/zinc/50/56/24/638505624.db2.gz XYPUWSVISGBURT-UHFFFAOYSA-N -1 3 287.216 3.128 20 0 CGADHM C/C(=C/Cl)CSc1cc(Cl)nc(=O)[n-]1 ZINC000858525696 638755048 /nfs/dbraw/zinc/75/50/48/638755048.db2.gz IIWRUMGVXGJFMH-HYXAFXHYSA-N -1 3 251.138 3.070 20 0 CGADHM C[C@@H](N[C@@H]1CCCC1(F)F)c1cc([O-])cc(F)c1 ZINC000926428246 638770595 /nfs/dbraw/zinc/77/05/95/638770595.db2.gz IPRIDRIRKUNSGY-PRHODGIISA-N -1 3 259.271 3.370 20 0 CGADHM Cc1cccc2c1CCN(C(=O)c1c(C)cccc1[O-])C2 ZINC000859211760 639110739 /nfs/dbraw/zinc/11/07/39/639110739.db2.gz DKETYEJFICGVPH-UHFFFAOYSA-N -1 3 281.355 3.208 20 0 CGADHM CCCCCC[C@@H](C)CC(=O)[N-]OC[C@H]1CCOC1 ZINC000189258507 640179901 /nfs/dbraw/zinc/17/99/01/640179901.db2.gz BNDSMQPHUNWCKX-KGLIPLIRSA-N -1 3 271.401 3.067 20 0 CGADHM CC1(C)CC[C@@H](C/N=C/c2cc(Cl)ccc2[O-])O1 ZINC000189354122 640188478 /nfs/dbraw/zinc/18/84/78/640188478.db2.gz GJLNNJOCBSKNSM-WIJRQFRKSA-N -1 3 267.756 3.422 20 0 CGADHM CCO[N-]C(=O)CC(C)(C)Cc1ccc(Cl)cc1 ZINC000189705901 640205069 /nfs/dbraw/zinc/20/50/69/640205069.db2.gz WKVBFTODGLDZFU-UHFFFAOYSA-N -1 3 269.772 3.367 20 0 CGADHM CCc1cccc(S(=O)(=O)[N-]c2ccc(O)cc2C)c1 ZINC000080940406 640509954 /nfs/dbraw/zinc/50/99/54/640509954.db2.gz FLOZEYCDORGZHE-UHFFFAOYSA-N -1 3 291.372 3.064 20 0 CGADHM [O-]c1cc(F)c(-c2nc3cc4c(cc3[nH]2)OCC4)cc1F ZINC001251011752 805828603 /nfs/dbraw/zinc/82/86/03/805828603.db2.gz RUQVWUPMVOXNBJ-UHFFFAOYSA-N -1 3 288.253 3.149 20 0 CGADHM Cc1c(Cl)cnc(Cl)c1NCc1ncccc1[O-] ZINC001158773684 806001464 /nfs/dbraw/zinc/00/14/64/806001464.db2.gz AWCISNSSHOPVBH-UHFFFAOYSA-N -1 3 284.146 3.410 20 0 CGADHM Cc1ccc2ccnc(NCc3ncccc3[O-])c2c1 ZINC001158774547 806002645 /nfs/dbraw/zinc/00/26/45/806002645.db2.gz NBJDIXJTLAPVPY-UHFFFAOYSA-N -1 3 265.316 3.256 20 0 CGADHM O=C(Nc1c([O-])cccc1Cl)c1ccc2nccnc2c1 ZINC001159656992 806142718 /nfs/dbraw/zinc/14/27/18/806142718.db2.gz HPJWEJTYNCEACO-UHFFFAOYSA-N -1 3 299.717 3.241 20 0 CGADHM Cc1nnc([N-][C@@H](c2ccccc2)C(F)(F)F)nc1C ZINC001159773325 806169561 /nfs/dbraw/zinc/16/95/61/806169561.db2.gz TVHPGEQPFTUFGV-NSHDSACASA-N -1 3 282.269 3.204 20 0 CGADHM COc1cc([O-])c(-c2nnc(-c3ccccc3)o2)cc1OC ZINC001253131459 806178366 /nfs/dbraw/zinc/17/83/66/806178366.db2.gz SKTABLOCYYQRCS-UHFFFAOYSA-N -1 3 298.298 3.126 20 0 CGADHM COc1cccc(-c2nnc(-c3cccc(OC)c3[O-])o2)c1 ZINC001253259882 806199488 /nfs/dbraw/zinc/19/94/88/806199488.db2.gz LAPYIFCWKFEXTB-UHFFFAOYSA-N -1 3 298.298 3.126 20 0 CGADHM [O-]c1cc2ccc(O)cc2cc1-c1nnc(C2CC2)o1 ZINC001254060130 806336588 /nfs/dbraw/zinc/33/65/88/806336588.db2.gz RLQSPIPXZNXNSV-UHFFFAOYSA-N -1 3 268.272 3.178 20 0 CGADHM CC(C)CC[C@@H](C)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC000315372513 799236247 /nfs/dbraw/zinc/23/62/47/799236247.db2.gz RSQZLWJTUAYAFA-NXEZZACHSA-N -1 3 270.398 3.317 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])c1csc2cncn21 ZINC000340243873 799285216 /nfs/dbraw/zinc/28/52/16/799285216.db2.gz VBROFSGWNNWCSF-UHFFFAOYSA-N -1 3 293.735 3.007 20 0 CGADHM Cc1sccc1CN1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000380503012 799363530 /nfs/dbraw/zinc/36/35/30/799363530.db2.gz DSBCAQSTYQPCGG-HNNXBMFYSA-N -1 3 287.384 3.241 20 0 CGADHM Cc1cc(CNCc2ccc([O-])c(Cl)c2)sn1 ZINC000404265462 799575765 /nfs/dbraw/zinc/57/57/65/799575765.db2.gz GYMRZZNLLSMMLD-UHFFFAOYSA-N -1 3 268.769 3.100 20 0 CGADHM COc1ccc([C@@H](C)NCc2csc(C(=O)[O-])c2)cc1 ZINC000689094522 799760347 /nfs/dbraw/zinc/76/03/47/799760347.db2.gz RRTVLIJTJLJOTI-SNVBAGLBSA-N -1 3 291.372 3.306 20 0 CGADHM Cc1ncccc1CNCc1cccc([O-])c1Cl ZINC000705552958 799950735 /nfs/dbraw/zinc/95/07/35/799950735.db2.gz GLPVMVIHYAPAOZ-UHFFFAOYSA-N -1 3 262.740 3.039 20 0 CGADHM Cc1cccc([O-])c1C(=O)NCc1ccc(Cl)s1 ZINC000706670369 799964712 /nfs/dbraw/zinc/96/47/12/799964712.db2.gz SWKBKKKMSFMBLR-UHFFFAOYSA-N -1 3 281.764 3.346 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CC[C@H]2CCCC[C@H]2C1 ZINC000706636850 799964916 /nfs/dbraw/zinc/96/49/16/799964916.db2.gz FBMBELXMAWHUGF-KGLIPLIRSA-N -1 3 273.376 3.353 20 0 CGADHM C[C@@]1(C(F)(F)F)CCN(Cc2cc(C(=O)[O-])cs2)C1 ZINC000708945109 800001678 /nfs/dbraw/zinc/00/16/78/800001678.db2.gz KUBGOBKKOSBKTE-LLVKDONJSA-N -1 3 293.310 3.221 20 0 CGADHM Cc1ccc(C(=O)N2CCC(F)(C3CC3)CC2)c([O-])c1 ZINC000724831377 800367075 /nfs/dbraw/zinc/36/70/75/800367075.db2.gz GQSYMAQTOQUZOP-UHFFFAOYSA-N -1 3 277.339 3.055 20 0 CGADHM CC(C)Cc1nnc(-c2ccc([O-])c3ncccc23)o1 ZINC001256425920 806894126 /nfs/dbraw/zinc/89/41/26/806894126.db2.gz CGVMHEVQSTWVCA-UHFFFAOYSA-N -1 3 269.304 3.189 20 0 CGADHM C[C@H]1CC[C@H](C)C1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC001256562850 806916350 /nfs/dbraw/zinc/91/63/50/806916350.db2.gz LQUWPOANHOBPTM-YUMQZZPRSA-N -1 3 293.841 3.114 20 0 CGADHM O=c1[n-]c(NCCn2cccc2)c(Cl)cc1Cl ZINC001164439379 806946716 /nfs/dbraw/zinc/94/67/16/806946716.db2.gz QXAXICIUAQHHJD-UHFFFAOYSA-N -1 3 272.135 3.008 20 0 CGADHM CC(C)[C@H](F)C(=O)Nc1ccc(Br)cc1[O-] ZINC001116710023 802400350 /nfs/dbraw/zinc/40/03/50/802400350.db2.gz WRNLUYYSWAYCMB-JTQLQIEISA-N -1 3 290.132 3.087 20 0 CGADHM Cc1coc(C(=O)[N-]c2c(C)onc2OC(F)F)c1C ZINC001117884240 802510111 /nfs/dbraw/zinc/51/01/11/802510111.db2.gz IALUTJRQZMSPRD-UHFFFAOYSA-N -1 3 286.234 3.047 20 0 CGADHM CC[C@H](CCNCc1nc(C(C)(C)C)cs1)C(=O)[O-] ZINC001118979161 802622649 /nfs/dbraw/zinc/62/26/49/802622649.db2.gz HZFYFZCRRFYRRZ-SNVBAGLBSA-N -1 3 284.425 3.031 20 0 CGADHM O=C([O-])c1cccc(CN2CC(Cc3ccsc3)C2)c1 ZINC001119540855 802677815 /nfs/dbraw/zinc/67/78/15/802677815.db2.gz RKCPPFRXNOODOX-UHFFFAOYSA-N -1 3 287.384 3.121 20 0 CGADHM CC(C)OC(=O)Nc1c([O-])cccc1Br ZINC001193487156 810894866 /nfs/dbraw/zinc/89/48/66/810894866.db2.gz YCTRVPSNABPMNK-UHFFFAOYSA-N -1 3 274.114 3.112 20 0 CGADHM COc1ccc(-c2ccc(=S)[n-]n2)cc1SC ZINC001243739524 802977438 /nfs/dbraw/zinc/97/74/38/802977438.db2.gz KSZXJWLKYNLWPS-UHFFFAOYSA-N -1 3 264.375 3.163 20 0 CGADHM CCCCOc1ccc(F)cc1[N-]c1nonc1C ZINC001211716597 814935717 /nfs/dbraw/zinc/93/57/17/814935717.db2.gz HDFBWSCXPQEYAC-UHFFFAOYSA-N -1 3 265.288 3.440 20 0 CGADHM O=c1cc(-c2c([O-])cccc2Cl)ccn1-c1ccncc1 ZINC001244047476 803159076 /nfs/dbraw/zinc/15/90/76/803159076.db2.gz HDMBYSGAYYRTIL-UHFFFAOYSA-N -1 3 298.729 3.259 20 0 CGADHM COc1c(C)cc(C)cc1-c1ccc(-c2nnn[n-]2)cc1C ZINC001244119036 803196250 /nfs/dbraw/zinc/19/62/50/803196250.db2.gz RJIRTYRCVOKBSU-UHFFFAOYSA-N -1 3 294.358 3.468 20 0 CGADHM COc1c(C)cc(C)cc1-c1ccc(-c2nn[n-]n2)cc1C ZINC001244119036 803196254 /nfs/dbraw/zinc/19/62/54/803196254.db2.gz RJIRTYRCVOKBSU-UHFFFAOYSA-N -1 3 294.358 3.468 20 0 CGADHM Cc1cc(COC(=O)c2cccc(Cl)c2[O-])ns1 ZINC001128721288 803201519 /nfs/dbraw/zinc/20/15/19/803201519.db2.gz CPQPCXWULRWQHS-UHFFFAOYSA-N -1 3 283.736 3.168 20 0 CGADHM CSc1ncc(-c2ccc(=S)[n-]n2)cc1Cl ZINC001244249423 803263636 /nfs/dbraw/zinc/26/36/36/803263636.db2.gz SFPPCDKWZXQKAN-UHFFFAOYSA-N -1 3 269.782 3.203 20 0 CGADHM CC(C)c1cc(-c2cccc(-c3nnn[n-]3)c2)ccc1N ZINC001244334733 803310537 /nfs/dbraw/zinc/31/05/37/803310537.db2.gz LURGJNASMJISOE-UHFFFAOYSA-N -1 3 279.347 3.239 20 0 CGADHM CC(C)c1cc(-c2cccc(-c3nn[n-]n3)c2)ccc1N ZINC001244334733 803310542 /nfs/dbraw/zinc/31/05/42/803310542.db2.gz LURGJNASMJISOE-UHFFFAOYSA-N -1 3 279.347 3.239 20 0 CGADHM COC(=O)c1c(F)cncc1-c1ccc(Cl)cc1[O-] ZINC001244471732 803386862 /nfs/dbraw/zinc/38/68/62/803386862.db2.gz GBZWVXQVOWZDFF-UHFFFAOYSA-N -1 3 281.670 3.033 20 0 CGADHM O=C1Nc2ncc(-c3ccc(Cl)cc3[O-])cc2C12CC2 ZINC001244470863 803387541 /nfs/dbraw/zinc/38/75/41/803387541.db2.gz ANBHUKIQGBHQPY-UHFFFAOYSA-N -1 3 286.718 3.091 20 0 CGADHM Cc1cc(-c2ccc(OC(C)(C)C)nn2)cc([O-])c1F ZINC001244495135 803402523 /nfs/dbraw/zinc/40/25/23/803402523.db2.gz DHUIGDSTTCDUCG-UHFFFAOYSA-N -1 3 276.311 3.474 20 0 CGADHM Cc1cc(-c2ccc(C(F)(F)F)nn2)cc([O-])c1F ZINC001244496904 803403610 /nfs/dbraw/zinc/40/36/10/803403610.db2.gz YJZVKKOVNGXZLO-UHFFFAOYSA-N -1 3 272.201 3.316 20 0 CGADHM Cc1nc2[nH]ccc2c(-c2cc(C)c(F)c([O-])c2)n1 ZINC001244507693 803411583 /nfs/dbraw/zinc/41/15/83/803411583.db2.gz WMLQWXHURBCCEV-UHFFFAOYSA-N -1 3 257.268 3.038 20 0 CGADHM COC(=O)c1ccc(F)cc1-c1cc(C)c(F)c([O-])c1 ZINC001244517928 803414126 /nfs/dbraw/zinc/41/41/26/803414126.db2.gz OZTJJRJUMVEYPT-UHFFFAOYSA-N -1 3 278.254 3.432 20 0 CGADHM Cc1cc(-c2ccc3c(c2)NC(=O)C32CC2)cc([O-])c1F ZINC001244525629 803418913 /nfs/dbraw/zinc/41/89/13/803418913.db2.gz QBCHSPGRGNVFFX-UHFFFAOYSA-N -1 3 283.302 3.490 20 0 CGADHM Cc1cc(-c2ccc(C(N)=O)cc2C)cc(Cl)c1[O-] ZINC001244550675 803433620 /nfs/dbraw/zinc/43/36/20/803433620.db2.gz ICZVHNJMWHQIRH-UHFFFAOYSA-N -1 3 275.735 3.428 20 0 CGADHM Cc1cc(-c2ccccc2CC(N)=O)cc(Cl)c1[O-] ZINC001244550818 803434156 /nfs/dbraw/zinc/43/41/56/803434156.db2.gz NPPALGWZCJHDRT-UHFFFAOYSA-N -1 3 275.735 3.049 20 0 CGADHM Cc1cc(-c2cccc(-c3nnn[n-]3)c2)cnc1OC(C)C ZINC001244688508 803496704 /nfs/dbraw/zinc/49/67/04/803496704.db2.gz FTUWXDQZMSMLPO-UHFFFAOYSA-N -1 3 295.346 3.024 20 0 CGADHM Cc1cc(-c2cccc(-c3nn[n-]n3)c2)cnc1OC(C)C ZINC001244688508 803496706 /nfs/dbraw/zinc/49/67/06/803496706.db2.gz FTUWXDQZMSMLPO-UHFFFAOYSA-N -1 3 295.346 3.024 20 0 CGADHM CCOc1cc(C)cc(F)c1-c1ccccc1-c1nnn[n-]1 ZINC001245013133 803611409 /nfs/dbraw/zinc/61/14/09/803611409.db2.gz LTRPQAKNTFAUBB-UHFFFAOYSA-N -1 3 298.321 3.380 20 0 CGADHM CCOc1cc(C)cc(F)c1-c1ccccc1-c1nn[n-]n1 ZINC001245013133 803611411 /nfs/dbraw/zinc/61/14/11/803611411.db2.gz LTRPQAKNTFAUBB-UHFFFAOYSA-N -1 3 298.321 3.380 20 0 CGADHM CS(=O)(=O)c1ccccc1-c1cc(Cl)ccc1[O-] ZINC001245050314 803622152 /nfs/dbraw/zinc/62/21/52/803622152.db2.gz FGCWPLOVWNURTH-UHFFFAOYSA-N -1 3 282.748 3.116 20 0 CGADHM CCOC(=O)c1ccc(-c2cc(Cl)ccc2[O-])cn1 ZINC001245051042 803623024 /nfs/dbraw/zinc/62/30/24/803623024.db2.gz SCQHOFMLGNWONF-UHFFFAOYSA-N -1 3 277.707 3.284 20 0 CGADHM CC(=O)Nc1ncc(C)cc1-c1cc(Cl)ccc1[O-] ZINC001245053182 803623573 /nfs/dbraw/zinc/62/35/73/803623573.db2.gz WKBHPYFREIGNKY-UHFFFAOYSA-N -1 3 276.723 3.374 20 0 CGADHM [O-]c1ccc(-c2cc(OCC3CC3)ncn2)c(Cl)c1 ZINC001245079247 803634650 /nfs/dbraw/zinc/63/46/50/803634650.db2.gz REZIWWRJGXGEBC-UHFFFAOYSA-N -1 3 276.723 3.291 20 0 CGADHM Cc1ccc2c(ncnc2-c2ccc([O-])cc2Cl)n1 ZINC001245078893 803634728 /nfs/dbraw/zinc/63/47/28/803634728.db2.gz MEQDTEJOIDWKKS-UHFFFAOYSA-N -1 3 271.707 3.359 20 0 CGADHM COC(=O)[C@@H](C)c1ccc(-c2ccc([O-])cc2Cl)nc1 ZINC001245080779 803635691 /nfs/dbraw/zinc/63/56/91/803635691.db2.gz YCPWZXBMJAJGIJ-VIFPVBQESA-N -1 3 291.734 3.384 20 0 CGADHM [O-]c1ccc(-c2ncnc3cnccc32)c(Cl)c1 ZINC001245081445 803636846 /nfs/dbraw/zinc/63/68/46/803636846.db2.gz GSLYOIBAXVQHIU-UHFFFAOYSA-N -1 3 257.680 3.051 20 0 CGADHM COc1ccc(-c2cccc(C(=O)[O-])c2C)cc1CN(C)C ZINC001245298930 803694853 /nfs/dbraw/zinc/69/48/53/803694853.db2.gz DWNBPUFZLRWGNW-UHFFFAOYSA-N -1 3 299.370 3.430 20 0 CGADHM Cc1cccc2[nH]c(-c3cc(-c4nnn[n-]4)ccc3F)cc21 ZINC001245343459 803704674 /nfs/dbraw/zinc/70/46/74/803704674.db2.gz QHCFBUMUQDUPGY-UHFFFAOYSA-N -1 3 293.305 3.463 20 0 CGADHM Cc1cccc2[nH]c(-c3cc(-c4nn[n-]n4)ccc3F)cc21 ZINC001245343459 803704680 /nfs/dbraw/zinc/70/46/80/803704680.db2.gz QHCFBUMUQDUPGY-UHFFFAOYSA-N -1 3 293.305 3.463 20 0 CGADHM COc1ccc(C)nc1Nc1ccc([O-])c(F)c1F ZINC001212002748 814964885 /nfs/dbraw/zinc/96/48/85/814964885.db2.gz DRHFKTPVKUFDOL-UHFFFAOYSA-N -1 3 266.247 3.126 20 0 CGADHM Cc1cnc(Nc2ccc([O-])c(F)c2F)c(F)c1 ZINC001212003050 814965709 /nfs/dbraw/zinc/96/57/09/814965709.db2.gz OVYBILRPHBBFNL-UHFFFAOYSA-N -1 3 254.211 3.257 20 0 CGADHM O=C1OCc2c1cccc2Nc1ccc([O-])c(F)c1F ZINC001212011106 814966438 /nfs/dbraw/zinc/96/64/38/814966438.db2.gz RYOWBZRQCKPZCO-UHFFFAOYSA-N -1 3 277.226 3.084 20 0 CGADHM [O-]c1ccc(Nc2ccc(F)cc2CO)c(F)c1F ZINC001212013876 814966950 /nfs/dbraw/zinc/96/69/50/814966950.db2.gz NSUUZUTUMZNHHW-UHFFFAOYSA-N -1 3 269.222 3.045 20 0 CGADHM [O-]c1ccc(Nc2cc(F)c(F)cc2O)c(F)c1F ZINC001212011183 814967197 /nfs/dbraw/zinc/96/71/97/814967197.db2.gz WRMHFNWKLJULQG-UHFFFAOYSA-N -1 3 273.185 3.398 20 0 CGADHM COC(=O)c1cc2ccc(-c3c([O-])cccc3F)cc2n1C ZINC001245653945 803883712 /nfs/dbraw/zinc/88/37/12/803883712.db2.gz BUJIQYVWJACFIN-UHFFFAOYSA-N -1 3 299.301 3.477 20 0 CGADHM COC(=O)c1noc2cc(-c3c([O-])cccc3F)ccc21 ZINC001245655898 803888576 /nfs/dbraw/zinc/88/85/76/803888576.db2.gz KOPMQQBZELCGON-UHFFFAOYSA-N -1 3 287.246 3.126 20 0 CGADHM [O-]c1cccc(Nc2ccncc2Cl)c1Cl ZINC001212157682 814985677 /nfs/dbraw/zinc/98/56/77/814985677.db2.gz YCNLJVQCGHXRIR-UHFFFAOYSA-N -1 3 255.104 3.260 20 0 CGADHM Cc1ccc(F)c(CN(C)C(=O)c2c(C)cccc2[O-])c1 ZINC001139432445 804188707 /nfs/dbraw/zinc/18/87/07/804188707.db2.gz YHHLCMPOJQJMKL-UHFFFAOYSA-N -1 3 287.334 3.420 20 0 CGADHM C[C@@H]([N-]C(=O)C(F)(F)c1ccccc1)c1ncccc1F ZINC001139575229 804215657 /nfs/dbraw/zinc/21/56/57/804215657.db2.gz PYMCQPDQDYYAIF-SNVBAGLBSA-N -1 3 294.276 3.190 20 0 CGADHM [O-]c1ccc(CN2CCC[C@H]3CCC[C@@H]32)c(F)c1F ZINC001140893175 804545815 /nfs/dbraw/zinc/54/58/15/804545815.db2.gz JUYUYACAFQISGC-PWSUYJOCSA-N -1 3 267.319 3.435 20 0 CGADHM COc1cc(Cl)cnc1Nc1cc(F)cc(F)c1[O-] ZINC001212481633 815036166 /nfs/dbraw/zinc/03/61/66/815036166.db2.gz ANRKHPOPACHORV-UHFFFAOYSA-N -1 3 286.665 3.471 20 0 CGADHM [O-]c1ccc(Cc2nc(-c3cccc(F)c3)no2)c(F)c1 ZINC001248141895 804886339 /nfs/dbraw/zinc/88/63/39/804886339.db2.gz GEIMIRXITOIRHZ-UHFFFAOYSA-N -1 3 288.253 3.311 20 0 CGADHM C[C@@H]1CCN(Cc2cc(F)c([O-])cc2F)[C@H](C)C1 ZINC001144658251 805024054 /nfs/dbraw/zinc/02/40/54/805024054.db2.gz UQBKSRYIIXJEQK-NXEZZACHSA-N -1 3 255.308 3.291 20 0 CGADHM O=C([O-])c1ccsc1CN1CCC[C@H]1c1ccncc1 ZINC001144677869 805029867 /nfs/dbraw/zinc/02/98/67/805029867.db2.gz FYEZLLKBKHPRMG-ZDUSSCGKSA-N -1 3 288.372 3.178 20 0 CGADHM CSc1cccnc1[N-]C(=O)c1ccc(Cl)cn1 ZINC001144820137 805056739 /nfs/dbraw/zinc/05/67/39/805056739.db2.gz BADOBNNVSJSLSE-UHFFFAOYSA-N -1 3 279.752 3.104 20 0 CGADHM CC(C)(C)c1ccc(CC(=O)Nc2cncc([O-])c2)cc1 ZINC001144866603 805058020 /nfs/dbraw/zinc/05/80/20/805058020.db2.gz VFSRRSIKULDXIV-UHFFFAOYSA-N -1 3 284.359 3.266 20 0 CGADHM CC(C)c1cc(C(=O)[N-]c2cc(C(F)(F)F)no2)no1 ZINC001147473094 805131698 /nfs/dbraw/zinc/13/16/98/805131698.db2.gz HXMKHWSZUAEELH-UHFFFAOYSA-N -1 3 289.213 3.057 20 0 CGADHM Nc1cc(F)cc(Nc2ncc(F)cc2[O-])c1Cl ZINC001249649311 805202076 /nfs/dbraw/zinc/20/20/76/805202076.db2.gz NCQPGXQEVLSPQC-UHFFFAOYSA-N -1 3 271.654 3.045 20 0 CGADHM Nc1ccc(Nc2ncc(Cl)cc2[O-])c(Cl)c1 ZINC001249728904 805226861 /nfs/dbraw/zinc/22/68/61/805226861.db2.gz AYJJRRLTDLOOQS-UHFFFAOYSA-N -1 3 270.119 3.420 20 0 CGADHM C[C@H]1CCCCN(Cc2ccc(F)c(C(=O)[O-])c2F)C1 ZINC001249761428 805237843 /nfs/dbraw/zinc/23/78/43/805237843.db2.gz VXDACVVDFDADQO-JTQLQIEISA-N -1 3 283.318 3.285 20 0 CGADHM O=C([O-])c1c(F)ccc(CN2CCC[C@H]3CCC[C@H]32)c1F ZINC001249775899 805241563 /nfs/dbraw/zinc/24/15/63/805241563.db2.gz GMPQBRLQGPVRAL-ZWNOBZJWSA-N -1 3 295.329 3.428 20 0 CGADHM O=C(C[C@H]1OCc2ccccc21)Nc1cccc([O-])c1F ZINC001151092913 805281784 /nfs/dbraw/zinc/28/17/84/805281784.db2.gz OGQRAFKPXASWFT-CQSZACIVSA-N -1 3 287.290 3.131 20 0 CGADHM O=C(/C=C\COc1ccccc1)Nc1cccc([O-])c1F ZINC001151092251 805282363 /nfs/dbraw/zinc/28/23/63/805282363.db2.gz CYYGXVSWHVTQSJ-YHYXMXQVSA-N -1 3 287.290 3.105 20 0 CGADHM C[C@H]1CCN(C(=O)c2cc3sccc3c([O-])c2)C[C@H]1F ZINC001152922113 805375126 /nfs/dbraw/zinc/37/51/26/805375126.db2.gz LGWCXASWRNVHGP-JOYOIKCWSA-N -1 3 293.363 3.427 20 0 CGADHM C[C@H](NC(=O)c1cc2sccc2c([O-])c1)c1ccc[nH]1 ZINC001153407636 805393911 /nfs/dbraw/zinc/39/39/11/805393911.db2.gz DSCFNHOOKJFMHM-VIFPVBQESA-N -1 3 286.356 3.426 20 0 CGADHM O=C(NC[C@@H]1CCC=CO1)c1cc2sccc2c([O-])c1 ZINC001154357564 805451378 /nfs/dbraw/zinc/45/13/78/805451378.db2.gz LURUEBBXXFUJLG-NSHDSACASA-N -1 3 289.356 3.029 20 0 CGADHM CCOc1cc(Nc2ccc(Cl)c([O-])c2)no1 ZINC001212590546 815078177 /nfs/dbraw/zinc/07/81/77/815078177.db2.gz RCTZRASDLGOACK-UHFFFAOYSA-N -1 3 254.673 3.176 20 0 CGADHM [O-]c1cc(Nc2cn3nc(Cl)ccc3n2)ccc1Cl ZINC001212589229 815078316 /nfs/dbraw/zinc/07/83/16/815078316.db2.gz BCQIHSCYAGLPEZ-UHFFFAOYSA-N -1 3 295.129 3.485 20 0 CGADHM Cc1nc2ccc(Nc3ccc(Cl)c([O-])c3)cn2n1 ZINC001212589629 815078802 /nfs/dbraw/zinc/07/88/02/815078802.db2.gz WCHWJABWOZPDFP-UHFFFAOYSA-N -1 3 274.711 3.140 20 0 CGADHM COc1c(F)c(Cl)ccc1Nc1cnc(C)[n-]c1=O ZINC001250191010 805479340 /nfs/dbraw/zinc/47/93/40/805479340.db2.gz BXCMYZNTNCMTGC-UHFFFAOYSA-N -1 3 283.690 3.035 20 0 CGADHM Cc1c[nH]c(=O)c(Nc2ccc(Cl)c([O-])c2)c1 ZINC001212589465 815078907 /nfs/dbraw/zinc/07/89/07/815078907.db2.gz MYNDWTUONMOWHW-UHFFFAOYSA-N -1 3 250.685 3.198 20 0 CGADHM CCOc1c(F)cc(Nc2cnc(C)[n-]c2=O)cc1Cl ZINC001250221617 805500582 /nfs/dbraw/zinc/50/05/82/805500582.db2.gz MPWHMRLAVDFNJT-UHFFFAOYSA-N -1 3 297.717 3.425 20 0 CGADHM CN1Cc2c(cccc2Nc2ccc(Cl)c([O-])c2)C1=O ZINC001212595394 815081391 /nfs/dbraw/zinc/08/13/91/815081391.db2.gz RNIJUKXSPMFNPH-UHFFFAOYSA-N -1 3 288.734 3.375 20 0 CGADHM CC(C)Oc1ccc(-c2nnc(-c3ccc([O-])cn3)o2)cc1 ZINC001256863400 806993599 /nfs/dbraw/zinc/99/35/99/806993599.db2.gz QIZKECLANFEZAU-UHFFFAOYSA-N -1 3 297.314 3.291 20 0 CGADHM CN(C)c1nc(Nc2ccc(C(C)(F)F)cc2)cc(=O)[n-]1 ZINC001212674247 815099635 /nfs/dbraw/zinc/09/96/35/815099635.db2.gz MOJBTSVPZNUQGW-UHFFFAOYSA-N -1 3 294.305 3.104 20 0 CGADHM COc1c(C)cc(-c2noc(-c3cncc([O-])c3)n2)cc1C ZINC001212709861 815110216 /nfs/dbraw/zinc/11/02/16/815110216.db2.gz RRGIPVFUPSZWOF-UHFFFAOYSA-N -1 3 297.314 3.130 20 0 CGADHM CC[C@@H](C)C[C@H](C)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC001168695897 807486227 /nfs/dbraw/zinc/48/62/27/807486227.db2.gz WMOTYALKEBEQTQ-MNOVXSKESA-N -1 3 289.383 3.112 20 0 CGADHM CC[C@@H](C)C[C@H](C)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC001168695897 807486233 /nfs/dbraw/zinc/48/62/33/807486233.db2.gz WMOTYALKEBEQTQ-MNOVXSKESA-N -1 3 289.383 3.112 20 0 CGADHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)C(C)(C)C ZINC001259512858 807680127 /nfs/dbraw/zinc/68/01/27/807680127.db2.gz DZAMHXYKBHVTEQ-QMMMGPOBSA-N -1 3 293.791 3.192 20 0 CGADHM Cc1nc(NCc2ncccc2[O-])nc(C)c1CC(C)C ZINC001169731832 807699854 /nfs/dbraw/zinc/69/98/54/807699854.db2.gz RHDQLCPRIQGTIC-UHFFFAOYSA-N -1 3 286.379 3.005 20 0 CGADHM S=c1ccc(N[C@@H]2CCO[C@@H](c3ccccc3)C2)n[n-]1 ZINC001169756153 807703668 /nfs/dbraw/zinc/70/36/68/807703668.db2.gz ZKKJWKRRGOEYPC-CHWSQXEVSA-N -1 3 287.388 3.098 20 0 CGADHM CCc1nn(C)cc1[N-]c1nc2cccc(C)c2o1 ZINC001261261419 807725703 /nfs/dbraw/zinc/72/57/03/807725703.db2.gz VGHZMCXUMHZBNW-UHFFFAOYSA-N -1 3 256.309 3.176 20 0 CGADHM Cc1cc(F)ncc1Nc1cc([O-])c(F)cc1F ZINC001212816261 815146596 /nfs/dbraw/zinc/14/65/96/815146596.db2.gz OWBMPVMNKRCBMK-UHFFFAOYSA-N -1 3 254.211 3.257 20 0 CGADHM COc1ccccc1Nc1c(F)cc([O-])cc1F ZINC001173839869 808702867 /nfs/dbraw/zinc/70/28/67/808702867.db2.gz DDKWIGZFWDBSFM-UHFFFAOYSA-N -1 3 251.232 3.423 20 0 CGADHM CC(=O)NCc1ccc(Nc2cccc([O-])c2Cl)cc1 ZINC001174234141 808916759 /nfs/dbraw/zinc/91/67/59/808916759.db2.gz LKBLWQJBZVRPNK-UHFFFAOYSA-N -1 3 290.750 3.425 20 0 CGADHM Cc1ncc(Nc2cccc(N3CCCCC3)c2)c(=O)[n-]1 ZINC001174302177 808942887 /nfs/dbraw/zinc/94/28/87/808942887.db2.gz QLSNLURXYPARDS-UHFFFAOYSA-N -1 3 284.363 3.225 20 0 CGADHM Cn1nc(C(F)(F)F)cc1Nc1cc(F)c([O-])cc1F ZINC001174327557 808952836 /nfs/dbraw/zinc/95/28/36/808952836.db2.gz TWKQXQDHRMVWLL-UHFFFAOYSA-N -1 3 293.195 3.166 20 0 CGADHM CC(=O)NCc1cccc(Nc2cccc([O-])c2Cl)c1 ZINC001174369243 808979787 /nfs/dbraw/zinc/97/97/87/808979787.db2.gz KQMYDCKSFIURID-UHFFFAOYSA-N -1 3 290.750 3.425 20 0 CGADHM COc1cc(Nc2nc3c(cccc3[O-])s2)ccc1O ZINC001174538330 809071187 /nfs/dbraw/zinc/07/11/87/809071187.db2.gz GKGBGYCFHVUNDC-UHFFFAOYSA-N -1 3 288.328 3.460 20 0 CGADHM CCc1c(C)cc(Nc2ccc(C(N)=O)c([O-])c2)cc1C ZINC001174678603 809128147 /nfs/dbraw/zinc/12/81/47/809128147.db2.gz HSYLTEKPVZEIBQ-UHFFFAOYSA-N -1 3 284.359 3.414 20 0 CGADHM COC(=O)c1cc(Cl)cc([N-]c2nonc2C2CC2)c1 ZINC001213332838 815266369 /nfs/dbraw/zinc/26/63/69/815266369.db2.gz NJDDLJAIJDJCFE-UHFFFAOYSA-N -1 3 293.710 3.131 20 0 CGADHM [O-]c1c(F)cc(Nc2cnn3ccc(Cl)nc23)cc1F ZINC001213373534 815272171 /nfs/dbraw/zinc/27/21/71/815272171.db2.gz KFZZEWMUGXOSTO-UHFFFAOYSA-N -1 3 296.664 3.110 20 0 CGADHM [O-]c1c(F)cc(Nc2cncc(Cl)c2)cc1F ZINC001213373264 815272397 /nfs/dbraw/zinc/27/23/97/815272397.db2.gz ATCKUJBBJQEWBP-UHFFFAOYSA-N -1 3 256.639 3.462 20 0 CGADHM COc1cc(Nc2cc(=O)[n-]c(C3CC3)n2)ccc1C ZINC001175012634 809239753 /nfs/dbraw/zinc/23/97/53/809239753.db2.gz ILJDILBNFMDPFR-UHFFFAOYSA-N -1 3 271.320 3.120 20 0 CGADHM O=C1OCc2ccc(Nc3cc(F)c([O-])c(F)c3)cc21 ZINC001213379174 815273374 /nfs/dbraw/zinc/27/33/74/815273374.db2.gz CHVJTCCJKMAYSK-UHFFFAOYSA-N -1 3 277.226 3.084 20 0 CGADHM CC(=O)N(C)c1ccc(Nc2cc(F)c([O-])c(F)c2)cc1 ZINC001213381969 815274347 /nfs/dbraw/zinc/27/43/47/815274347.db2.gz SJRKKEIKINLORY-UHFFFAOYSA-N -1 3 292.285 3.397 20 0 CGADHM Cn1cnc2cccc(Nc3cc(F)c([O-])c(F)c3)c21 ZINC001213386708 815275343 /nfs/dbraw/zinc/27/53/43/815275343.db2.gz QRNIEKDYVAHJJK-UHFFFAOYSA-N -1 3 275.258 3.301 20 0 CGADHM [O-]c1cc(F)c(Nc2ccc(C3=NCCO3)cc2)c(F)c1 ZINC001175097129 809269710 /nfs/dbraw/zinc/26/97/10/809269710.db2.gz PZUGMTLZOOIHFL-UHFFFAOYSA-N -1 3 290.269 3.191 20 0 CGADHM COC(=O)c1ccc(Nc2c(F)cc([O-])cc2F)cc1 ZINC001175100446 809271815 /nfs/dbraw/zinc/27/18/15/809271815.db2.gz UOJUAWQUIQBABO-UHFFFAOYSA-N -1 3 279.242 3.201 20 0 CGADHM O=C1NCc2cc(Nc3cc(F)c([O-])c(F)c3)ccc2N1 ZINC001213388582 815275814 /nfs/dbraw/zinc/27/58/14/815275814.db2.gz AQLONDGJGUISNG-UHFFFAOYSA-N -1 3 291.257 3.049 20 0 CGADHM CC(=O)c1ccccc1Nc1cc(=O)[n-]c(C2CC2)n1 ZINC001175175572 809298759 /nfs/dbraw/zinc/29/87/59/809298759.db2.gz ZRYGZTOFJIMFLO-UHFFFAOYSA-N -1 3 269.304 3.006 20 0 CGADHM Cc1nnc([N-]c2cccc(O[C@H]3CCCCO3)c2)o1 ZINC001175182830 809302247 /nfs/dbraw/zinc/30/22/47/809302247.db2.gz JOYQIAJYCXZSEP-ZDUSSCGKSA-N -1 3 275.308 3.027 20 0 CGADHM Cc1nnc([N-]c2cc(F)c(OC(C)C)c(F)c2)o1 ZINC001213417212 815278263 /nfs/dbraw/zinc/27/82/63/815278263.db2.gz CGBVCTIFIAOOQQ-UHFFFAOYSA-N -1 3 269.251 3.187 20 0 CGADHM [O-]c1ccc(F)c(Nc2ncnc3sccc32)c1F ZINC001175260788 809328635 /nfs/dbraw/zinc/32/86/35/809328635.db2.gz AQRCWZZJLULMHX-UHFFFAOYSA-N -1 3 279.271 3.419 20 0 CGADHM COc1cccc(Nc2c(F)ccc([O-])c2F)c1OC ZINC001175264845 809329234 /nfs/dbraw/zinc/32/92/34/809329234.db2.gz JILREYHUVHYQKQ-UHFFFAOYSA-N -1 3 281.258 3.431 20 0 CGADHM O=c1cc[nH]c(Cl)c1Nc1c(F)ccc([O-])c1F ZINC001175266749 809331489 /nfs/dbraw/zinc/33/14/89/809331489.db2.gz ZCAAKFYFNKFUKK-UHFFFAOYSA-N -1 3 272.638 3.168 20 0 CGADHM O=C1CCc2ccc(Nc3c(F)ccc([O-])c3F)cc2N1 ZINC001175267958 809333204 /nfs/dbraw/zinc/33/32/04/809333204.db2.gz FWOYFCUXYCCQEL-UHFFFAOYSA-N -1 3 290.269 3.299 20 0 CGADHM CN(C)c1ccc(Nc2nc3c(cccc3[O-])s2)cn1 ZINC001175338550 809365096 /nfs/dbraw/zinc/36/50/96/809365096.db2.gz YKBAIDOHWUFEGJ-UHFFFAOYSA-N -1 3 286.360 3.207 20 0 CGADHM NC(=O)c1ccc(Nc2cccc3ccsc32)cc1[O-] ZINC001175386687 809385828 /nfs/dbraw/zinc/38/58/28/809385828.db2.gz ZDJQUKJIXLPWPS-UHFFFAOYSA-N -1 3 284.340 3.449 20 0 CGADHM Fc1ccc(Nc2ccc(-c3nn[n-]n3)cc2)c(F)c1F ZINC001175429950 809401288 /nfs/dbraw/zinc/40/12/88/809401288.db2.gz XKMMIWKNAXQBKC-UHFFFAOYSA-N -1 3 291.236 3.028 20 0 CGADHM Cc1ccc(F)c(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001175430116 809401512 /nfs/dbraw/zinc/40/15/12/809401512.db2.gz FVASGUKRIFNHLA-UHFFFAOYSA-N -1 3 269.283 3.058 20 0 CGADHM CCc1cccc(C)c1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175430766 809402786 /nfs/dbraw/zinc/40/27/86/809402786.db2.gz XJBXHQURZRHOFB-UHFFFAOYSA-N -1 3 279.347 3.481 20 0 CGADHM CC(C)(C)c1nnc([N-]c2ccc3nccnc3c2)o1 ZINC001175487320 809426445 /nfs/dbraw/zinc/42/64/45/809426445.db2.gz VPNKTAPWQGDJPT-UHFFFAOYSA-N -1 3 269.308 3.054 20 0 CGADHM Cc1cccc([O-])c1C(=O)N[C@@H]1CSc2ccccc21 ZINC001293782718 809455474 /nfs/dbraw/zinc/45/54/74/809455474.db2.gz KKYMGOQNTNONSS-GFCCVEGCSA-N -1 3 285.368 3.277 20 0 CGADHM CN1CCC=C(Nc2cc(Cl)cc(Cl)c2[O-])C1 ZINC001175578294 809459551 /nfs/dbraw/zinc/45/95/51/809459551.db2.gz CLHPIJAPIJAVLH-UHFFFAOYSA-N -1 3 273.163 3.330 20 0 CGADHM C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)c1ccc(O)cc1[O-] ZINC001294395343 809467248 /nfs/dbraw/zinc/46/72/48/809467248.db2.gz DUMJTVLYSDWRRL-ZWNOBZJWSA-N -1 3 277.364 3.042 20 0 CGADHM O=C(NCc1ccc([O-])c(F)c1)c1ccc(C2CC2)cc1 ZINC001294868046 809477042 /nfs/dbraw/zinc/47/70/42/809477042.db2.gz PALLQJCFMDUCST-UHFFFAOYSA-N -1 3 285.318 3.339 20 0 CGADHM Cn1ccc2ccc(C(=O)Nc3cccc([O-])c3F)cc21 ZINC001295128609 809482536 /nfs/dbraw/zinc/48/25/36/809482536.db2.gz ZXPFNMCAWATNDG-UHFFFAOYSA-N -1 3 284.290 3.275 20 0 CGADHM CN(CCC1CC1)C(=O)c1cc2sccc2c([O-])c1 ZINC001295236229 809484670 /nfs/dbraw/zinc/48/46/70/809484670.db2.gz YEIBXHIPOLDQLN-UHFFFAOYSA-N -1 3 275.373 3.479 20 0 CGADHM CC[C@H]1CCCC[C@@H]1CNC(=O)c1ccc(OC)cc1[O-] ZINC001298623212 809535616 /nfs/dbraw/zinc/53/56/16/809535616.db2.gz IHOHHGLPBDQPFG-QWHCGFSZSA-N -1 3 291.391 3.347 20 0 CGADHM [O-]c1cc(F)cnc1Nc1ccc2scnc2c1 ZINC001175914577 809571189 /nfs/dbraw/zinc/57/11/89/809571189.db2.gz HOVJLSCIBKVBIH-UHFFFAOYSA-N -1 3 261.281 3.280 20 0 CGADHM CSc1ccc([O-])c(C(=O)N[C@H](C)CC2CCC2)c1 ZINC001301803476 809587200 /nfs/dbraw/zinc/58/72/00/809587200.db2.gz WHKQBCIXYQWPLJ-SNVBAGLBSA-N -1 3 279.405 3.423 20 0 CGADHM O=C(/C=C/c1ccsc1)[N-]Oc1ccccc1F ZINC001303333777 809609145 /nfs/dbraw/zinc/60/91/45/809609145.db2.gz ZCDGWEWGOASIDD-AATRIKPKSA-N -1 3 263.293 3.011 20 0 CGADHM [O-]c1ccc(Nc2ccc(O)cc2F)c(F)c1F ZINC001176414445 809690945 /nfs/dbraw/zinc/69/09/45/809690945.db2.gz ZQDGYANLBPSASJ-UHFFFAOYSA-N -1 3 255.195 3.259 20 0 CGADHM O=C(Nc1ccc(F)c([O-])c1)[C@H]1C[C@H]1c1cccs1 ZINC001177546538 809808164 /nfs/dbraw/zinc/80/81/64/809808164.db2.gz RSYMJGHJAFOULU-ZJUUUORDSA-N -1 3 277.320 3.335 20 0 CGADHM COc1ccc([N-]c2nnco2)cc1OCc1ccccc1 ZINC001213683783 815322430 /nfs/dbraw/zinc/32/24/30/815322430.db2.gz MRWKQDGYEFWJRQ-UHFFFAOYSA-N -1 3 297.314 3.401 20 0 CGADHM O=C(Nc1c[nH]c2ccccc12)c1[n-]cnc1C(F)(F)F ZINC001179051568 809902310 /nfs/dbraw/zinc/90/23/10/809902310.db2.gz LGRWOCLYPKCDMB-UHFFFAOYSA-N -1 3 294.236 3.162 20 0 CGADHM O=C(Nc1c[nH]c2ccccc12)c1nc[n-]c1C(F)(F)F ZINC001179051568 809902311 /nfs/dbraw/zinc/90/23/11/809902311.db2.gz LGRWOCLYPKCDMB-UHFFFAOYSA-N -1 3 294.236 3.162 20 0 CGADHM Cc1cccc([O-])c1C(=O)Nc1ccc2c(c1)C[C@@H](C)O2 ZINC001179509540 809926563 /nfs/dbraw/zinc/92/65/63/809926563.db2.gz DWUQNEDWWHHNLT-LLVKDONJSA-N -1 3 283.327 3.276 20 0 CGADHM CC(=O)c1cccc([O-])c1NC(=O)[C@H](F)c1ccccc1 ZINC001180149273 809978977 /nfs/dbraw/zinc/97/89/77/809978977.db2.gz PFFVVNZANOJALJ-CQSZACIVSA-N -1 3 287.290 3.244 20 0 CGADHM Cc1cc2cc(Nc3ccc(C(N)=O)c([O-])c3)ccc2[nH]1 ZINC001213796110 815332728 /nfs/dbraw/zinc/33/27/28/815332728.db2.gz XBUMZGNTMFQBPH-UHFFFAOYSA-N -1 3 281.315 3.024 20 0 CGADHM COc1cccc(Nc2cc(=O)[n-]c(=S)[nH]2)c1C1CC1 ZINC001213801354 815333538 /nfs/dbraw/zinc/33/35/38/815333538.db2.gz VYQXKCAMQDPEEK-UHFFFAOYSA-N -1 3 289.360 3.101 20 0 CGADHM Cc1ccc(C(C)(C)C(=O)Nc2cncc([O-])c2)cc1 ZINC001180601910 810013438 /nfs/dbraw/zinc/01/34/38/810013438.db2.gz FLDCYZMJKDEBNS-UHFFFAOYSA-N -1 3 270.332 3.012 20 0 CGADHM CCC1(C(=O)[N-]OCCOc2ccccc2)CCCC1 ZINC001180650034 810016189 /nfs/dbraw/zinc/01/61/89/810016189.db2.gz XBRBGDGUMAYJIA-UHFFFAOYSA-N -1 3 277.364 3.084 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CC[C@H]2C2CCCC2)c1 ZINC001180875734 810025357 /nfs/dbraw/zinc/02/53/57/810025357.db2.gz OLNXHYIYJNQJPX-HNNXBMFYSA-N -1 3 273.376 3.359 20 0 CGADHM CCCC[C@@H](CCC)CNC(=O)c1c([O-])cccc1O ZINC001182941482 810131637 /nfs/dbraw/zinc/13/16/37/810131637.db2.gz BPCLVAPNCLOJRX-GFCCVEGCSA-N -1 3 279.380 3.434 20 0 CGADHM Cc1nc(Nc2ccc3sccc3c2)cc(=O)[n-]1 ZINC001213926198 815347508 /nfs/dbraw/zinc/34/75/08/815347508.db2.gz OGADTTUQCFBUKH-UHFFFAOYSA-N -1 3 257.318 3.449 20 0 CGADHM C[C@@H]1CCC[C@@H](C(=O)Nc2ccc(F)c([O-])c2)C1 ZINC001184506949 810205111 /nfs/dbraw/zinc/20/51/11/810205111.db2.gz CGHRYCKQACWVNH-NXEZZACHSA-N -1 3 251.301 3.296 20 0 CGADHM Cc1ncc(NC(=O)Nc2cccc(Cl)c2C)c(=O)[n-]1 ZINC001184657044 810214159 /nfs/dbraw/zinc/21/41/59/810214159.db2.gz MQDZHBGJKHLLDW-UHFFFAOYSA-N -1 3 292.726 3.096 20 0 CGADHM O=C(Nc1ccc(F)c([O-])c1)c1ccc(C(F)(F)F)[nH]1 ZINC001188507982 810486546 /nfs/dbraw/zinc/48/65/46/810486546.db2.gz AGPGNILITUHUPV-UHFFFAOYSA-N -1 3 288.200 3.131 20 0 CGADHM Cc1cccc([O-])c1C(=O)NCc1cccc2ncccc12 ZINC001188655352 810500722 /nfs/dbraw/zinc/50/07/22/810500722.db2.gz PNBRZNUSXJUYKT-UHFFFAOYSA-N -1 3 292.338 3.179 20 0 CGADHM C[C@@H]1C[C@@H](NC(=O)c2ccc(=O)[n-]c2Cl)CC(C)(C)C1 ZINC001190917584 810657801 /nfs/dbraw/zinc/65/78/01/810657801.db2.gz IOWPAYNLEMWUFG-NXEZZACHSA-N -1 3 296.798 3.385 20 0 CGADHM CC(=O)c1cccc([O-])c1NC(=O)N[C@H]1CC[C@H](C)CC1 ZINC001191825128 810747580 /nfs/dbraw/zinc/74/75/80/810747580.db2.gz ZIIYRQOPJXHMBP-UMSPYCQHSA-N -1 3 290.363 3.295 20 0 CGADHM CCN(Cc1nnc(-c2ccccc2[O-])o1)c1ccccc1 ZINC001191939938 810757706 /nfs/dbraw/zinc/75/77/06/810757706.db2.gz YQFSTKVOCFBVCR-UHFFFAOYSA-N -1 3 295.342 3.469 20 0 CGADHM Cc1nc(NC(=O)Nc2ccccc2C(C)C)cc(=O)[n-]1 ZINC001192225970 810777541 /nfs/dbraw/zinc/77/75/41/810777541.db2.gz OONOTJWETBAGAK-UHFFFAOYSA-N -1 3 286.335 3.258 20 0 CGADHM CC/C=C/[N-]C(=O)c1c(Cl)nc(SC)nc1Cl ZINC001192633729 810811423 /nfs/dbraw/zinc/81/14/23/810811423.db2.gz WPEBYMFMSRSJJU-SNAWJCMRSA-N -1 3 292.191 3.159 20 0 CGADHM Cc1nc2c(cccc2NC(=O)c2c(C)cc(O)cc2[O-])o1 ZINC001193935755 810981065 /nfs/dbraw/zinc/98/10/65/810981065.db2.gz CBYYSJCSCDEXOC-UHFFFAOYSA-N -1 3 298.298 3.108 20 0 CGADHM CCCOC(=O)Nc1c([O-])cccc1C(F)(F)F ZINC001194123557 811019052 /nfs/dbraw/zinc/01/90/52/811019052.db2.gz YZNBIFMWVINRKG-UHFFFAOYSA-N -1 3 263.215 3.370 20 0 CGADHM CSc1ncc(C(=O)Nc2ccc(F)c([O-])c2)cc1C ZINC001194331441 811053476 /nfs/dbraw/zinc/05/34/76/811053476.db2.gz UBBPNNWBQDVNTE-UHFFFAOYSA-N -1 3 292.335 3.209 20 0 CGADHM Cc1ccc(OC(=O)Nc2nc(C)ccc2[O-])cc1 ZINC001194425840 811074256 /nfs/dbraw/zinc/07/42/56/811074256.db2.gz JNAPSWRPLYBHSD-UHFFFAOYSA-N -1 3 258.277 3.015 20 0 CGADHM Cc1cccc(C)c1S(=O)(=O)[N-]c1ccccc1 ZINC001194603019 811093773 /nfs/dbraw/zinc/09/37/73/811093773.db2.gz NNEYGFMRRZJWDB-UHFFFAOYSA-N -1 3 261.346 3.104 20 0 CGADHM NC(=O)Nc1cccc(Nc2c(Cl)ccc([O-])c2F)c1 ZINC001214563626 815424512 /nfs/dbraw/zinc/42/45/12/815424512.db2.gz JWQHGNMQGVCHBE-UHFFFAOYSA-N -1 3 295.701 3.419 20 0 CGADHM Cc1nnc2ccc(Nc3c(Cl)ccc([O-])c3F)cn12 ZINC001214557952 815424564 /nfs/dbraw/zinc/42/45/64/815424564.db2.gz MBESWAWNSXHONU-UHFFFAOYSA-N -1 3 292.701 3.279 20 0 CGADHM C[C@@H](O)c1ccnc(Nc2c(Cl)ccc([O-])c2F)c1 ZINC001214559282 815424579 /nfs/dbraw/zinc/42/45/79/815424579.db2.gz LSRRKMZTTLBAAC-SSDOTTSWSA-N -1 3 282.702 3.377 20 0 CGADHM Cc1cnn(C2COC2)c1Nc1c(Cl)ccc([O-])c1F ZINC001214558199 815424148 /nfs/dbraw/zinc/42/41/48/815424148.db2.gz RXODUNJPYQKKFH-UHFFFAOYSA-N -1 3 297.717 3.005 20 0 CGADHM O=C1NCc2cc(Nc3c(Cl)ccc([O-])c3F)ccc21 ZINC001214561669 815424319 /nfs/dbraw/zinc/42/43/19/815424319.db2.gz XLMOGHDTSXRCIY-UHFFFAOYSA-N -1 3 292.697 3.172 20 0 CGADHM Cc1cc(Cl)cc([N-]S(=O)(=O)c2ccc(O)cc2)c1 ZINC001195795665 811292841 /nfs/dbraw/zinc/29/28/41/811292841.db2.gz FTUBLWOSIAXXGO-UHFFFAOYSA-N -1 3 297.763 3.155 20 0 CGADHM Cc1cc(F)ccc1NC(=S)Nc1ncccc1[O-] ZINC001196087332 811316815 /nfs/dbraw/zinc/31/68/15/811316815.db2.gz VOGJSTDCDUIZEC-UHFFFAOYSA-N -1 3 277.324 3.044 20 0 CGADHM Cc1cnccc1Nc1cc(C(=O)[O-])c(Cl)cc1F ZINC001214735883 815446647 /nfs/dbraw/zinc/44/66/47/815446647.db2.gz GQTRDSWDXZLBPR-UHFFFAOYSA-N -1 3 280.686 3.046 20 0 CGADHM C=CS(=O)(=O)[N-]c1ccc(Cl)cc1C(F)(F)F ZINC001198602826 811523483 /nfs/dbraw/zinc/52/34/83/811523483.db2.gz KXTXIIWCYRBKHX-UHFFFAOYSA-N -1 3 285.674 3.244 20 0 CGADHM CC(C)c1ccc(C(=O)Nc2ncccc2[O-])c(Cl)n1 ZINC001199696581 811588098 /nfs/dbraw/zinc/58/80/98/811588098.db2.gz JYEDSFZYRSOBDB-UHFFFAOYSA-N -1 3 291.738 3.211 20 0 CGADHM Cc1ccc(NC(=S)NC(C)(C)C)c(Cl)c1[O-] ZINC001200910061 811764750 /nfs/dbraw/zinc/76/47/50/811764750.db2.gz ZKMNJQJXMLWSDR-UHFFFAOYSA-N -1 3 272.801 3.439 20 0 CGADHM CC(C)Nc1ccc(Nc2ncc(F)cc2[O-])cc1 ZINC001201491213 811865472 /nfs/dbraw/zinc/86/54/72/811865472.db2.gz PDEWVACOZDNCSE-UHFFFAOYSA-N -1 3 261.300 3.490 20 0 CGADHM CC(=O)c1cccc([O-])c1NC(=O)Nc1cccc(F)c1 ZINC001202229880 812046018 /nfs/dbraw/zinc/04/60/18/812046018.db2.gz GXRFXTNPKPIRKA-UHFFFAOYSA-N -1 3 288.278 3.378 20 0 CGADHM O=C(NCc1ccccc1)Nc1cc([O-])cc(Cl)c1 ZINC001202636570 812142333 /nfs/dbraw/zinc/14/23/33/812142333.db2.gz FOSFJUCPFWVVTR-UHFFFAOYSA-N -1 3 276.723 3.367 20 0 CGADHM Cc1cccc(NC(=O)Nc2cncc([O-])c2)c1C ZINC001202690948 812151686 /nfs/dbraw/zinc/15/16/86/812151686.db2.gz DKMGFYRBLOWWER-UHFFFAOYSA-N -1 3 257.293 3.048 20 0 CGADHM CC(=O)c1cc(-c2nc(-c3ncccc3C)no2)ccc1[O-] ZINC001215365337 815509675 /nfs/dbraw/zinc/50/96/75/815509675.db2.gz OKDSOJNYGIZVEC-UHFFFAOYSA-N -1 3 295.298 3.015 20 0 CGADHM Cc1cc(O)cc(Nc2ncc(Br)cc2[O-])c1 ZINC001215505239 815526569 /nfs/dbraw/zinc/52/65/69/815526569.db2.gz RSXUOAKIFGKVDC-UHFFFAOYSA-N -1 3 295.136 3.307 20 0 CGADHM Cn1cc(Nc2cc(=O)[n-]c(C3CC3)n2)c2ccccc21 ZINC001203415463 812349688 /nfs/dbraw/zinc/34/96/88/812349688.db2.gz GUFAVVNKHINUSY-UHFFFAOYSA-N -1 3 280.331 3.295 20 0 CGADHM [O-]c1cc(F)c(Nc2csc3nccnc23)cc1F ZINC001215570459 815536552 /nfs/dbraw/zinc/53/65/52/815536552.db2.gz HCCAWEIQNNDGIE-UHFFFAOYSA-N -1 3 279.271 3.419 20 0 CGADHM [O-]c1cc(F)c(Nc2ncccc2N2CCCC2)cc1F ZINC001215572766 815538993 /nfs/dbraw/zinc/53/89/93/815538993.db2.gz UZATYTUTOFOVNK-UHFFFAOYSA-N -1 3 291.301 3.409 20 0 CGADHM COc1c(Nc2ncc(F)cc2[O-])ccc(C)c1F ZINC001215601654 815545071 /nfs/dbraw/zinc/54/50/71/815545071.db2.gz SMVJXBHXUMTYLG-UHFFFAOYSA-N -1 3 266.247 3.126 20 0 CGADHM [O-]c1ccc(-c2nccc(NC3CC3)n2)c(C(F)(F)F)c1 ZINC001205066358 812845635 /nfs/dbraw/zinc/84/56/35/812845635.db2.gz LWJAASQEELNRQE-UHFFFAOYSA-N -1 3 295.264 3.442 20 0 CGADHM Cc1nc(Nc2ccc(F)c(OC(C)C)c2F)cc(=O)[n-]1 ZINC001215727198 815566262 /nfs/dbraw/zinc/56/62/62/815566262.db2.gz FWZZBVARWDCTAU-UHFFFAOYSA-N -1 3 295.289 3.300 20 0 CGADHM COc1cncc([N-]c2nc(C(C)(C)C)ns2)c1C ZINC001215730880 815567064 /nfs/dbraw/zinc/56/70/64/815567064.db2.gz WIGPWLZJINRBBB-UHFFFAOYSA-N -1 3 278.381 3.291 20 0 CGADHM COc1cncc(Nc2cc(=O)n(-c3ccccc3)[n-]2)c1C ZINC001215732006 815567577 /nfs/dbraw/zinc/56/75/77/815567577.db2.gz DZGYXFWCNHRKSB-UHFFFAOYSA-N -1 3 296.330 3.034 20 0 CGADHM Nc1cc(-c2ccc([O-])cc2F)ncc1C(F)(F)F ZINC001206029992 813172387 /nfs/dbraw/zinc/17/23/87/813172387.db2.gz LMPVDKLBKCFVOP-UHFFFAOYSA-N -1 3 272.201 3.194 20 0 CGADHM CN(C)c1nc(-c2ccc([O-])cc2F)nc2ccccc21 ZINC001206038147 813177079 /nfs/dbraw/zinc/17/70/79/813177079.db2.gz SJSQVLYHMHVPDX-UHFFFAOYSA-N -1 3 283.306 3.208 20 0 CGADHM COc1c(F)cc(F)cc1-c1ccc([O-])cc1F ZINC001206052033 813182707 /nfs/dbraw/zinc/18/27/07/813182707.db2.gz YCZUYAWMKDLCFT-UHFFFAOYSA-N -1 3 254.207 3.485 20 0 CGADHM [O-]c1ccc(-c2cc(C3OCCO3)ccc2F)c(F)c1 ZINC001206073280 813190233 /nfs/dbraw/zinc/19/02/33/813190233.db2.gz QXBXMKRADRHSCK-UHFFFAOYSA-N -1 3 278.254 3.383 20 0 CGADHM [O-]c1ccc(-c2ccc3ncnn3c2C(F)(F)F)c(F)c1 ZINC001206088051 813196106 /nfs/dbraw/zinc/19/61/06/813196106.db2.gz IBORWTRHHPXESH-UHFFFAOYSA-N -1 3 297.211 3.260 20 0 CGADHM CCCOc1ccc(-c2ccc(=S)[n-]n2)c(F)c1 ZINC001206136019 813210707 /nfs/dbraw/zinc/21/07/07/813210707.db2.gz DMEXPWSHLMYGBS-UHFFFAOYSA-N -1 3 264.325 3.360 20 0 CGADHM S=c1ccc(-c2cccc(OCC3CC3)c2)n[n-]1 ZINC001206758551 813424163 /nfs/dbraw/zinc/42/41/63/813424163.db2.gz ZDFVACACSZIUMM-UHFFFAOYSA-N -1 3 258.346 3.221 20 0 CGADHM CCc1cncc(Nc2cc(F)c([O-])cc2F)c1 ZINC001209221182 813971847 /nfs/dbraw/zinc/97/18/47/813971847.db2.gz OQNZYEHNQVSAEV-UHFFFAOYSA-N -1 3 250.248 3.371 20 0 CGADHM [O-]c1c(F)cc(Nc2ccc3[nH]cnc3c2)cc1F ZINC001209846291 814164296 /nfs/dbraw/zinc/16/42/96/814164296.db2.gz ACOQEZQOYRVWTD-UHFFFAOYSA-N -1 3 261.231 3.290 20 0 CGADHM [O-]c1c(Cl)cccc1Nc1cnc(Cl)nc1 ZINC001210217106 814346785 /nfs/dbraw/zinc/34/67/85/814346785.db2.gz SEQQGHVICKDRFD-UHFFFAOYSA-N -1 3 256.092 3.233 20 0 CGADHM Cn1cnc2cc(Nc3cccc(Cl)c3[O-])cnc21 ZINC001210215624 814345665 /nfs/dbraw/zinc/34/56/65/814345665.db2.gz KIQANBAXTBCSNL-UHFFFAOYSA-N -1 3 274.711 3.071 20 0 CGADHM [O-]c1c(Cl)cccc1Nc1ccc(CO)c(F)c1 ZINC001210222425 814348012 /nfs/dbraw/zinc/34/80/12/814348012.db2.gz HCKNOLRKWLMDRH-UHFFFAOYSA-N -1 3 267.687 3.421 20 0 CGADHM COC(=O)c1cc(N)cc(Nc2cccc(Cl)c2[O-])c1 ZINC001210222112 814348613 /nfs/dbraw/zinc/34/86/13/814348613.db2.gz OOJWXYYRNSUUQW-UHFFFAOYSA-N -1 3 292.722 3.158 20 0 CGADHM [O-]c1c(Cl)cccc1Nc1nonc1C1CC1 ZINC001210220932 814349049 /nfs/dbraw/zinc/34/90/49/814349049.db2.gz UBSQUAHXBCOWFU-UHFFFAOYSA-N -1 3 251.673 3.050 20 0 CGADHM NC(=O)c1cc(F)ccc1Nc1cccc(Cl)c1[O-] ZINC001210221980 814349220 /nfs/dbraw/zinc/34/92/20/814349220.db2.gz HNZZRZFILHQAEX-UHFFFAOYSA-N -1 3 280.686 3.027 20 0 CGADHM CC(C)n1ccc(Nc2cc(=O)n(-c3ccccc3)[n-]2)n1 ZINC001210341531 814411063 /nfs/dbraw/zinc/41/10/63/814411063.db2.gz KBQGVLJUGBEMGJ-UHFFFAOYSA-N -1 3 283.335 3.099 20 0 CGADHM CSc1cccc(Nc2ccc(C(N)=O)c([O-])c2)c1F ZINC001215869980 815618809 /nfs/dbraw/zinc/61/88/09/815618809.db2.gz IKYFTVIQCXVPDU-UHFFFAOYSA-N -1 3 292.335 3.096 20 0 CGADHM COc1cc2ccccc2c(Nc2cnc[n-]c2=O)c1 ZINC001210587669 814543686 /nfs/dbraw/zinc/54/36/86/814543686.db2.gz JUWYTMJFHOVGKT-UHFFFAOYSA-N -1 3 267.288 3.088 20 0 CGADHM [O-]c1c(F)cc(Nc2cnc(C(F)(F)F)nc2)cc1F ZINC001210670856 814580231 /nfs/dbraw/zinc/58/02/31/814580231.db2.gz QEPRTQKMFPXWDR-UHFFFAOYSA-N -1 3 291.179 3.223 20 0 CGADHM Cc1nc2cnc(-c3cc([O-])cc(C(F)(F)F)c3)nc2[nH]1 ZINC001242779911 823131220 /nfs/dbraw/zinc/13/12/20/823131220.db2.gz BKKJGPORMUAAJI-UHFFFAOYSA-N -1 3 294.236 3.004 20 0 CGADHM [O-]c1cccc(Nc2cccn3ccnc23)c1Cl ZINC001210852230 814650894 /nfs/dbraw/zinc/65/08/94/814650894.db2.gz XTSMVIZFYLIWNR-UHFFFAOYSA-N -1 3 259.696 3.437 20 0 CGADHM CCOC(=O)c1ncsc1Nc1cccc([O-])c1Cl ZINC001210854031 814651973 /nfs/dbraw/zinc/65/19/73/814651973.db2.gz VSSJYIQUPHIGKN-UHFFFAOYSA-N -1 3 298.751 3.422 20 0 CGADHM CN1Cc2cc(Nc3cccc([O-])c3Cl)ccc2C1=O ZINC001210855058 814652145 /nfs/dbraw/zinc/65/21/45/814652145.db2.gz QYZCCVNFNXMAAR-UHFFFAOYSA-N -1 3 288.734 3.375 20 0 CGADHM CC(=O)c1cccc(Nc2cccc([O-])c2Cl)n1 ZINC001210855746 814652194 /nfs/dbraw/zinc/65/21/94/814652194.db2.gz UQZSMWIIANAMBE-UHFFFAOYSA-N -1 3 262.696 3.387 20 0 CGADHM Nc1c(F)cc(Nc2cc([O-])c(F)cc2F)cc1F ZINC001210908894 814669085 /nfs/dbraw/zinc/66/90/85/814669085.db2.gz QZOYSKGWOQUWCL-UHFFFAOYSA-N -1 3 272.201 3.274 20 0 CGADHM Cc1ncc(Nc2cc(Cl)c([O-])c(Cl)c2)n1C ZINC001210926819 814677626 /nfs/dbraw/zinc/67/76/26/814677626.db2.gz HKWSTLNKHBXQEH-UHFFFAOYSA-N -1 3 272.135 3.485 20 0 CGADHM Cc1ncn(C)c1Nc1cc(Cl)c([O-])c(Cl)c1 ZINC001210927021 814677984 /nfs/dbraw/zinc/67/79/84/814677984.db2.gz PCCYHRBNOIHGDS-UHFFFAOYSA-N -1 3 272.135 3.485 20 0 CGADHM C[C@@H]1CCc2sc([N-]c3nccs3)c(C(N)=O)c2C1 ZINC001210991681 814702472 /nfs/dbraw/zinc/70/24/72/814702472.db2.gz RUOUBJPWFSHDGL-SSDOTTSWSA-N -1 3 293.417 3.172 20 0 CGADHM Nc1cc2c(cnn2-c2ccc(F)c([O-])c2)c(Cl)c1 ZINC001211220382 814853865 /nfs/dbraw/zinc/85/38/65/814853865.db2.gz GBEQQHWJBMOWQO-UHFFFAOYSA-N -1 3 277.686 3.106 20 0 CGADHM COc1cc(Nc2cnc(C)[n-]c2=O)cc(C(F)(F)F)c1 ZINC001211335835 814881070 /nfs/dbraw/zinc/88/10/70/814881070.db2.gz PCGXGTOYWDXIDM-UHFFFAOYSA-N -1 3 299.252 3.262 20 0 CGADHM Cc1cnc(F)c(Nc2ncc(Br)cc2[O-])c1 ZINC001211493998 814896415 /nfs/dbraw/zinc/89/64/15/814896415.db2.gz RTONFWZZDKYFOY-UHFFFAOYSA-N -1 3 298.115 3.136 20 0 CGADHM Cc1cnc(F)c(Nc2cc(=O)n(-c3ccccc3)[n-]2)c1 ZINC001211498697 814897397 /nfs/dbraw/zinc/89/73/97/814897397.db2.gz YOAGNGIEHCGVPU-UHFFFAOYSA-N -1 3 284.294 3.164 20 0 CGADHM Cc1cc(Nc2ccc([O-])c(F)c2F)ccc1CO ZINC001211581298 814911470 /nfs/dbraw/zinc/91/14/70/814911470.db2.gz KSACYIYQULHJLE-UHFFFAOYSA-N -1 3 265.259 3.215 20 0 CGADHM Cc1cc(Nc2cc(F)c([O-])c(F)c2)ccc1CO ZINC001211585305 814912407 /nfs/dbraw/zinc/91/24/07/814912407.db2.gz OGNWQEYDIRKZNY-UHFFFAOYSA-N -1 3 265.259 3.215 20 0 CGADHM CSc1ccc(Cl)cc1[N-]c1nonc1C ZINC001215910621 815627972 /nfs/dbraw/zinc/62/79/72/815627972.db2.gz KKHYSFTWVJCYOO-UHFFFAOYSA-N -1 3 255.730 3.497 20 0 CGADHM CSc1ncc(Cl)cc1Nc1ncc(F)cc1[O-] ZINC001215915238 815628811 /nfs/dbraw/zinc/62/88/11/815628811.db2.gz PUQJCWDTAZDDPR-UHFFFAOYSA-N -1 3 285.731 3.440 20 0 CGADHM Cc1nc(Nc2cc(F)cc(F)c2Cl)cc(=O)[n-]1 ZINC001215950784 815638814 /nfs/dbraw/zinc/63/88/14/815638814.db2.gz XZPAPQVOMGOQFP-UHFFFAOYSA-N -1 3 271.654 3.166 20 0 CGADHM COc1ccc(Nc2cc(=O)[n-]c(C3CC3)n2)c(C)c1C ZINC001215972646 815646169 /nfs/dbraw/zinc/64/61/69/815646169.db2.gz VWHLAZIHIZGOTP-UHFFFAOYSA-N -1 3 285.347 3.429 20 0 CGADHM CNc1cc(F)cc(Nc2ncc(Cl)cc2[O-])c1 ZINC001216184259 815724152 /nfs/dbraw/zinc/72/41/52/815724152.db2.gz KIGBFHZUROKBNQ-UHFFFAOYSA-N -1 3 267.691 3.365 20 0 CGADHM COc1cc([O-])ccc1-c1nc(-c2cc(C)nc(C)c2)no1 ZINC001217086023 815908818 /nfs/dbraw/zinc/90/88/18/815908818.db2.gz ZJGBZUBVURDKIJ-UHFFFAOYSA-N -1 3 297.314 3.130 20 0 CGADHM Fc1cccc(-c2noc(-c3nc4ccccc4[n-]3)n2)c1 ZINC001217136549 815910839 /nfs/dbraw/zinc/91/08/39/815910839.db2.gz DYGOYKZUZOZYFM-UHFFFAOYSA-N -1 3 280.262 3.419 20 0 CGADHM Oc1cc(OC(F)(F)F)cc(-c2ccc(=S)[n-]n2)c1 ZINC001242986825 823199274 /nfs/dbraw/zinc/19/92/74/823199274.db2.gz DOUVNGNFSUFGRY-UHFFFAOYSA-N -1 3 288.250 3.037 20 0 CGADHM Nc1ccc(C(F)(F)F)cc1-c1ccc(=S)[n-]n1 ZINC001243006889 823208372 /nfs/dbraw/zinc/20/83/72/823208372.db2.gz ZHPWXVJHSOFAQD-UHFFFAOYSA-N -1 3 271.267 3.033 20 0 CGADHM CCOC(=O)Cc1ccc(-c2ccc(F)c([O-])c2)cc1 ZINC001243047288 823224540 /nfs/dbraw/zinc/22/45/40/823224540.db2.gz AEJPPWAOYFJNRP-UHFFFAOYSA-N -1 3 274.291 3.304 20 0 CGADHM COC(=O)[C@H](C)c1ccc(-c2ccc(F)c([O-])c2)cc1 ZINC001243051496 823228707 /nfs/dbraw/zinc/22/87/07/823228707.db2.gz MXUMNZHEDNLPNC-SNVBAGLBSA-N -1 3 274.291 3.475 20 0 CGADHM COC(=O)c1noc2cc(-c3ccc(F)c([O-])c3)ccc21 ZINC001243048168 823225782 /nfs/dbraw/zinc/22/57/82/823225782.db2.gz JBWZCPCWESZQQT-UHFFFAOYSA-N -1 3 287.246 3.126 20 0 CGADHM COC(=O)c1cc2ccc(-c3ccc(F)c([O-])c3)cc2[nH]1 ZINC001243049532 823226954 /nfs/dbraw/zinc/22/69/54/823226954.db2.gz PPMWPXDRNPPTMO-UHFFFAOYSA-N -1 3 285.274 3.466 20 0 CGADHM [O-]c1cc(-c2cnc(C(F)(F)F)cn2)ccc1F ZINC001243049302 823227010 /nfs/dbraw/zinc/22/70/10/823227010.db2.gz PLMOJWKOMXJTOJ-UHFFFAOYSA-N -1 3 258.174 3.007 20 0 CGADHM COC(=O)c1c(F)ccc(-c2ccc(F)c([O-])c2)c1F ZINC001243049526 823227077 /nfs/dbraw/zinc/22/70/77/823227077.db2.gz PXYUOXLPUCEJIR-UHFFFAOYSA-N -1 3 282.217 3.263 20 0 CGADHM CCOC(=O)c1cc(-c2ccc(F)c([O-])c2)cnc1C ZINC001243051426 823228348 /nfs/dbraw/zinc/22/83/48/823228348.db2.gz MBEJWCDUTVFGLE-UHFFFAOYSA-N -1 3 275.279 3.078 20 0 CGADHM [O-]c1cc(-c2ccccc2CN2CCOCC2)ccc1F ZINC001243051055 823227599 /nfs/dbraw/zinc/22/75/99/823227599.db2.gz KXHDZSVCHJHJAG-UHFFFAOYSA-N -1 3 287.334 3.031 20 0 CGADHM [O-]c1cc(-c2cc(C(F)(F)F)cnn2)ccc1F ZINC001243055034 823230018 /nfs/dbraw/zinc/23/00/18/823230018.db2.gz ZLLOGYDDKFUCOZ-UHFFFAOYSA-N -1 3 258.174 3.007 20 0 CGADHM [O-]c1coc2cc(OC3CCC(F)(F)CC3)ccc12 ZINC001225342439 817017911 /nfs/dbraw/zinc/01/79/11/817017911.db2.gz IGPBHCWKUFEMPK-UHFFFAOYSA-N -1 3 268.259 3.218 20 0 CGADHM Cc1ccc(OC[C@@H](C)Oc2[n-]c(=S)ncc2C)cc1 ZINC001225741211 817163013 /nfs/dbraw/zinc/16/30/13/817163013.db2.gz SFTBBCGZENVDHY-GFCCVEGCSA-N -1 3 290.388 3.228 20 0 CGADHM Cc1cccc(OC[C@H](C)Oc2[n-]c(=S)ncc2C)c1 ZINC001225741486 817163796 /nfs/dbraw/zinc/16/37/96/817163796.db2.gz WPJLBGCEKAUVTI-LBPRGKRZSA-N -1 3 290.388 3.228 20 0 CGADHM Cc1cnc(=S)[n-]c1O[C@@H](C)c1ccc(F)c(F)c1 ZINC001225742864 817164393 /nfs/dbraw/zinc/16/43/93/817164393.db2.gz QFALAGQNGNWCFI-QMMMGPOBSA-N -1 3 282.315 3.492 20 0 CGADHM CC(=O)c1ccc([O-])c(O[C@H]2CCOc3ccccc32)c1 ZINC001225999309 817245125 /nfs/dbraw/zinc/24/51/25/817245125.db2.gz VGCVIGQXBVCKPV-INIZCTEOSA-N -1 3 284.311 3.497 20 0 CGADHM CSc1cccc(F)c1-c1ccccc1-c1nnn[n-]1 ZINC001243120539 823253237 /nfs/dbraw/zinc/25/32/37/823253237.db2.gz KIBDHAVRUJBAIO-UHFFFAOYSA-N -1 3 286.335 3.395 20 0 CGADHM CSc1cccc(F)c1-c1ccccc1-c1nn[n-]n1 ZINC001243120539 823253244 /nfs/dbraw/zinc/25/32/44/823253244.db2.gz KIBDHAVRUJBAIO-UHFFFAOYSA-N -1 3 286.335 3.395 20 0 CGADHM Cc1nc(O[C@@H](C)c2cccc(Cl)c2)cc(=O)[n-]1 ZINC001226511458 817380503 /nfs/dbraw/zinc/38/05/03/817380503.db2.gz DSEOWUKTVBEXHD-QMMMGPOBSA-N -1 3 264.712 3.284 20 0 CGADHM O=c1nc2nc(Cl)ccc2c(OC2CCCCC2)[n-]1 ZINC001226556507 817396509 /nfs/dbraw/zinc/39/65/09/817396509.db2.gz OFKBIKCDRKLZRU-UHFFFAOYSA-N -1 3 279.727 3.095 20 0 CGADHM C[C@H]1CCCC[C@@H]1Oc1c([O-])ccc2ccc(=O)oc21 ZINC001226595483 817407917 /nfs/dbraw/zinc/40/79/17/817407917.db2.gz DILOVNGEZXIHOC-GWCFXTLKSA-N -1 3 274.316 3.456 20 0 CGADHM CCOC(=O)N1CCC[C@@H](Oc2cccc([O-])c2Cl)C1 ZINC001226712748 817443546 /nfs/dbraw/zinc/44/35/46/817443546.db2.gz VEPDQWJKBORXBH-SNVBAGLBSA-N -1 3 299.754 3.045 20 0 CGADHM Cc1cccc2c1[C@H](Oc1ccnc(=S)[n-]1)CC2 ZINC001226936723 817510029 /nfs/dbraw/zinc/51/00/29/817510029.db2.gz KAYANPMTQFWPKM-LLVKDONJSA-N -1 3 258.346 3.140 20 0 CGADHM CCc1cnc(=S)[n-]c1O[C@H](C)c1cc(C)cnc1F ZINC001227061545 817546589 /nfs/dbraw/zinc/54/65/89/817546589.db2.gz DYYACLCRXMXYGM-SECBINFHSA-N -1 3 293.367 3.310 20 0 CGADHM C[C@@H](Oc1cc(=O)cc(C(F)(F)F)[n-]1)c1ccncc1 ZINC001227585347 817675917 /nfs/dbraw/zinc/67/59/17/817675917.db2.gz BKIHEVVMYMVEJT-MRVPVSSYSA-N -1 3 284.237 3.341 20 0 CGADHM C[C@@H](Oc1cc(=O)cc(C(F)(F)F)[n-]1)c1nccs1 ZINC001227583913 817675966 /nfs/dbraw/zinc/67/59/66/817675966.db2.gz ONPAARRCMZACBB-ZCFIWIBFSA-N -1 3 290.266 3.403 20 0 CGADHM CC1(C)CC[C@@H](COc2cc(=O)cc(C(F)(F)F)[n-]2)O1 ZINC001227586879 817677371 /nfs/dbraw/zinc/67/73/71/817677371.db2.gz PJMZALMYULHPOE-VIFPVBQESA-N -1 3 291.269 3.142 20 0 CGADHM C[C@H]1CCC[C@H]1Oc1cc(=O)cc(C(F)(F)F)[n-]1 ZINC001227587832 817677568 /nfs/dbraw/zinc/67/75/68/817677568.db2.gz ZFEUJQYPOOZAME-IONNQARKSA-N -1 3 261.243 3.373 20 0 CGADHM Cc1cc(C(=O)[O-])ccc1-c1ccc(CN(C)C2CC2)cn1 ZINC001243202568 823288321 /nfs/dbraw/zinc/28/83/21/823288321.db2.gz CFCLBYJLJVPVER-UHFFFAOYSA-N -1 3 296.370 3.349 20 0 CGADHM CC[C@@H](COC)Oc1cc(-c2ccccc2)nc(=S)[n-]1 ZINC001228346577 817883522 /nfs/dbraw/zinc/88/35/22/817883522.db2.gz KHUMGGQESFMYQS-LBPRGKRZSA-N -1 3 290.388 3.236 20 0 CGADHM Cc1cc(=O)oc2c1ccc([O-])c2O[C@H](C)c1ccncc1 ZINC001228630064 817956149 /nfs/dbraw/zinc/95/61/49/817956149.db2.gz POEVXPDRMDBJMT-LLVKDONJSA-N -1 3 297.310 3.342 20 0 CGADHM Cc1cc(=O)oc2c1ccc([O-])c2O[C@@H]1CCCC[C@H]1F ZINC001228621554 817956296 /nfs/dbraw/zinc/95/62/96/817956296.db2.gz CEJWBTWLMSXDSG-DGCLKSJQSA-N -1 3 292.306 3.467 20 0 CGADHM Cc1cc(=O)oc2c1ccc([O-])c2O[C@@H]1C[C@H]2C=C[C@@H]1C2 ZINC001228621945 817956847 /nfs/dbraw/zinc/95/68/47/817956847.db2.gz FOIPKSAWIHRMHK-MISXGVKJSA-N -1 3 284.311 3.150 20 0 CGADHM C[C@H](CCc1ccccc1)Oc1nnc(-c2cccnc2)[n-]1 ZINC001228693701 817975065 /nfs/dbraw/zinc/97/50/65/817975065.db2.gz CIGQOPFASDSPKX-CYBMUJFWSA-N -1 3 294.358 3.267 20 0 CGADHM C[C@H](CCc1ccccc1)Oc1nc(-c2cccnc2)n[n-]1 ZINC001228693701 817975072 /nfs/dbraw/zinc/97/50/72/817975072.db2.gz CIGQOPFASDSPKX-CYBMUJFWSA-N -1 3 294.358 3.267 20 0 CGADHM C[C@H](CCc1ccccc1)Oc1n[n-]c(-c2cccnc2)n1 ZINC001228693701 817975077 /nfs/dbraw/zinc/97/50/77/817975077.db2.gz CIGQOPFASDSPKX-CYBMUJFWSA-N -1 3 294.358 3.267 20 0 CGADHM C[C@@H]1CC[C@H](C)[C@@H](Oc2n[n-]c(-c3ccncc3)n2)C1 ZINC001228697129 817976623 /nfs/dbraw/zinc/97/66/23/817976623.db2.gz IEACPIWCZIDQSI-MDZLAQPJSA-N -1 3 272.352 3.070 20 0 CGADHM C[C@H]1C[C@H](Oc2n[n-]c(-c3ccncc3)n2)CC(C)(C)C1 ZINC001228698075 817977437 /nfs/dbraw/zinc/97/74/37/817977437.db2.gz SFWIVLONHUQJLL-AAEUAGOBSA-N -1 3 286.379 3.460 20 0 CGADHM CC/C=C(\C)[C@@H](CC)Oc1nnc(-c2cccnc2)[n-]1 ZINC001228699562 817979185 /nfs/dbraw/zinc/97/91/85/817979185.db2.gz ZMGAPUJPCOEHKF-SVTZGKHISA-N -1 3 272.352 3.380 20 0 CGADHM CC/C=C(\C)[C@@H](CC)Oc1nc(-c2cccnc2)n[n-]1 ZINC001228699562 817979193 /nfs/dbraw/zinc/97/91/93/817979193.db2.gz ZMGAPUJPCOEHKF-SVTZGKHISA-N -1 3 272.352 3.380 20 0 CGADHM CC/C=C(\C)[C@@H](CC)Oc1n[n-]c(-c2cccnc2)n1 ZINC001228699562 817979201 /nfs/dbraw/zinc/97/92/01/817979201.db2.gz ZMGAPUJPCOEHKF-SVTZGKHISA-N -1 3 272.352 3.380 20 0 CGADHM C[C@@H](CCc1ccccc1)Oc1n[n-]c(-c2ccncc2)n1 ZINC001228698413 817980049 /nfs/dbraw/zinc/98/00/49/817980049.db2.gz XVTLUUNURKRKOC-ZDUSSCGKSA-N -1 3 294.358 3.267 20 0 CGADHM O=C1CCc2cc([O-])c(O[C@@H]3CCCC[C@@H]3F)cc21 ZINC001228854294 818023515 /nfs/dbraw/zinc/02/35/15/818023515.db2.gz QMUQLLNKELVPCP-SMDDNHRTSA-N -1 3 264.296 3.181 20 0 CGADHM CC/C=C(\C)[C@@H](CC)Oc1cccc(-c2nnn[n-]2)c1 ZINC001231121097 818035998 /nfs/dbraw/zinc/03/59/98/818035998.db2.gz GLJVBNRXZXGFFJ-DPQIITEBSA-N -1 3 272.352 3.380 20 0 CGADHM CC/C=C(\C)[C@@H](CC)Oc1cccc(-c2nn[n-]n2)c1 ZINC001231121097 818036003 /nfs/dbraw/zinc/03/60/03/818036003.db2.gz GLJVBNRXZXGFFJ-DPQIITEBSA-N -1 3 272.352 3.380 20 0 CGADHM [O-]c1cc(CN(CCO)Cc2cccs2)ccc1Cl ZINC001231739116 818163636 /nfs/dbraw/zinc/16/36/36/818163636.db2.gz WZHRZVZQMOAFKN-UHFFFAOYSA-N -1 3 297.807 3.102 20 0 CGADHM CN(CCc1cccnc1)Cc1cccc([O-])c1Cl ZINC001232787806 818440565 /nfs/dbraw/zinc/44/05/65/818440565.db2.gz BXMJGPIYXPZJMS-UHFFFAOYSA-N -1 3 276.767 3.115 20 0 CGADHM C[C@H]1CCCN(Cc2ccc(F)c([O-])c2F)[C@H]1C ZINC001232934426 818475697 /nfs/dbraw/zinc/47/56/97/818475697.db2.gz FTQOYFOLMRJQRF-UWVGGRQHSA-N -1 3 255.308 3.291 20 0 CGADHM CN(Cc1cccc(F)c1)Cc1cc(Cl)ncc1[O-] ZINC001233032072 818504442 /nfs/dbraw/zinc/50/44/42/818504442.db2.gz CZLOVJASSAZIOY-UHFFFAOYSA-N -1 3 280.730 3.212 20 0 CGADHM CC[C@@H]1CCCCN1Cc1cc(Cl)ncc1[O-] ZINC001233035051 818505363 /nfs/dbraw/zinc/50/53/63/818505363.db2.gz WOWRHEATKCEEAZ-LLVKDONJSA-N -1 3 254.761 3.205 20 0 CGADHM Cc1ccc2c(c1)CCN(Cc1cccc([O-])c1F)C2 ZINC001233055877 818513773 /nfs/dbraw/zinc/51/37/73/818513773.db2.gz VMUMRCNHXJQQMF-UHFFFAOYSA-N -1 3 271.335 3.398 20 0 CGADHM COc1ccc(CN2CCC[C@@](C)(F)C2)c(Cl)c1[O-] ZINC001233398083 818610676 /nfs/dbraw/zinc/61/06/76/818610676.db2.gz XMZNLFGPGLIUBN-CQSZACIVSA-N -1 3 287.762 3.378 20 0 CGADHM [O-]c1ccc(F)c(CN2Cc3ccc(F)cc3C2)c1F ZINC001233395946 818611198 /nfs/dbraw/zinc/61/11/98/818611198.db2.gz ARSYFADBWZBBRH-UHFFFAOYSA-N -1 3 279.261 3.325 20 0 CGADHM COC(=O)C1CCC(Oc2cc(Cl)c([O-])cc2C)CC1 ZINC001233591087 818650651 /nfs/dbraw/zinc/65/06/51/818650651.db2.gz DECUZCHPBRUZES-UHFFFAOYSA-N -1 3 298.766 3.465 20 0 CGADHM CCC[C@H](CC(=O)OC)Oc1cc(Cl)c([O-])cc1C ZINC001233592827 818652369 /nfs/dbraw/zinc/65/23/69/818652369.db2.gz QALUKRXMOSWDNJ-SNVBAGLBSA-N -1 3 286.755 3.465 20 0 CGADHM Cc1cccc(OC[C@H](C)Oc2ccc3occ([O-])c3c2)c1 ZINC001233680532 818678557 /nfs/dbraw/zinc/67/85/57/818678557.db2.gz KNYIPLSTNVTVMI-ZDUSSCGKSA-N -1 3 298.338 3.416 20 0 CGADHM [O-]c1cccc(O[C@H]2CCCc3cccnc32)c1F ZINC001233867525 818720758 /nfs/dbraw/zinc/72/07/58/818720758.db2.gz FVICJOBNWQFVNW-ZDUSSCGKSA-N -1 3 259.280 3.383 20 0 CGADHM COc1ccc([C@@H](C)Oc2cccc([O-])c2F)cn1 ZINC001233871454 818722489 /nfs/dbraw/zinc/72/24/89/818722489.db2.gz OLWOCCUSKHFBHU-SECBINFHSA-N -1 3 263.268 3.075 20 0 CGADHM C[C@H](Oc1c([O-])cc(Cl)cc1F)c1cnccn1 ZINC001234444670 818855620 /nfs/dbraw/zinc/85/56/20/818855620.db2.gz SLSIAAFSQWKOPY-ZETCQYMHSA-N -1 3 268.675 3.115 20 0 CGADHM [O-]c1cc(Cl)cc(F)c1OC[C@H]1CCC=CO1 ZINC001234448102 818858393 /nfs/dbraw/zinc/85/83/93/818858393.db2.gz OWKMOXDJWZNCFY-SECBINFHSA-N -1 3 258.676 3.256 20 0 CGADHM CC(C)Oc1ncccc1COc1nc2c(cccc2[O-])[nH]1 ZINC001234453413 818859635 /nfs/dbraw/zinc/85/96/35/818859635.db2.gz XNBSPAUZLLLUPN-UHFFFAOYSA-N -1 3 299.330 3.030 20 0 CGADHM CC1(C)CC(=O)CC[C@@H]1Oc1nc2ccsc2[n-]1 ZINC001234847814 818931864 /nfs/dbraw/zinc/93/18/64/818931864.db2.gz LRHDSMVYFZWYMK-JTQLQIEISA-N -1 3 264.350 3.151 20 0 CGADHM CC1(C)CC(=O)CC[C@@H]1Oc1nc2sccc2[n-]1 ZINC001234847814 818931868 /nfs/dbraw/zinc/93/18/68/818931868.db2.gz LRHDSMVYFZWYMK-JTQLQIEISA-N -1 3 264.350 3.151 20 0 CGADHM [O-]c1cc(Cl)cc(-c2cc(-c3ncc[nH]3)ccn2)c1 ZINC001235899819 819209474 /nfs/dbraw/zinc/20/94/74/819209474.db2.gz UPIZKDADHUGUSG-UHFFFAOYSA-N -1 3 271.707 3.498 20 0 CGADHM COc1nc(SC)ncc1-c1cc([O-])cc(Cl)c1 ZINC001235904150 819213099 /nfs/dbraw/zinc/21/30/99/819213099.db2.gz PTPNESCSZNXJPU-UHFFFAOYSA-N -1 3 282.752 3.233 20 0 CGADHM [O-]c1cc(Cl)cc(-c2ccc(OC(F)F)nn2)c1 ZINC001235903810 819213316 /nfs/dbraw/zinc/21/33/16/819213316.db2.gz HPYPTHVTVNWZND-UHFFFAOYSA-N -1 3 272.638 3.104 20 0 CGADHM [O-]c1c(F)cc(F)c(-c2cccc3cncn32)c1F ZINC001236002684 819268505 /nfs/dbraw/zinc/26/85/05/819268505.db2.gz RTLMLTCQTZVDCU-UHFFFAOYSA-N -1 3 264.206 3.124 20 0 CGADHM C[C@@H]1CN(Cc2ccc(F)c([O-])c2)CCC1(F)F ZINC001236704715 819576301 /nfs/dbraw/zinc/57/63/01/819576301.db2.gz ZWFOLDOEAAAFGP-SECBINFHSA-N -1 3 259.271 3.008 20 0 CGADHM CN(Cc1ccsc1)Cc1sc(=O)[n-]c1Cl ZINC001237150864 819679562 /nfs/dbraw/zinc/67/95/62/819679562.db2.gz IVXNBGMMUQCQCN-UHFFFAOYSA-N -1 3 274.798 3.196 20 0 CGADHM Fc1ccc(OC2CN(Cc3occc3[S-])C2)cc1F ZINC001237178959 819688146 /nfs/dbraw/zinc/68/81/46/819688146.db2.gz NGDKFKHOSQVXFA-UHFFFAOYSA-N -1 3 297.326 3.110 20 0 CGADHM COc1ccc2nc(-c3cccc([O-])c3F)cnc2c1 ZINC001243542057 823435891 /nfs/dbraw/zinc/43/58/91/823435891.db2.gz FLBFQGDQZZQOTD-UHFFFAOYSA-N -1 3 270.263 3.150 20 0 CGADHM Cc1cc2nc(C)nc(-c3cccc([O-])c3F)c2[nH]1 ZINC001243544671 823437625 /nfs/dbraw/zinc/43/76/25/823437625.db2.gz UNGBJZLQPYQLEY-UHFFFAOYSA-N -1 3 257.268 3.086 20 0 CGADHM COc1cc(-n2ccnc2)ccc1-c1cccc([O-])c1F ZINC001243545827 823437758 /nfs/dbraw/zinc/43/77/58/823437758.db2.gz HFEBCAOVRTVWRV-UHFFFAOYSA-N -1 3 284.290 3.393 20 0 CGADHM CC1(C)C(=O)Nc2cc(-c3cccc([O-])c3F)ccc21 ZINC001243545583 823438191 /nfs/dbraw/zinc/43/81/91/823438191.db2.gz FNTFDSYKXMDEIG-UHFFFAOYSA-N -1 3 271.291 3.428 20 0 CGADHM CC(C)S(=O)(=O)c1ccc(-c2cccc([O-])c2F)cc1 ZINC001243546201 823438605 /nfs/dbraw/zinc/43/86/05/823438605.db2.gz WYCVGJQFVCJQFH-UHFFFAOYSA-N -1 3 294.347 3.380 20 0 CGADHM COC(=O)c1cccc(F)c1-c1cccc([O-])c1F ZINC001243546850 823438743 /nfs/dbraw/zinc/43/87/43/823438743.db2.gz JQFRZIYMGHGZGE-UHFFFAOYSA-N -1 3 264.227 3.124 20 0 CGADHM COC(=O)c1noc2ccc(-c3cccc([O-])c3F)cc21 ZINC001243546720 823438831 /nfs/dbraw/zinc/43/88/31/823438831.db2.gz SMNBOWQTUWELFR-UHFFFAOYSA-N -1 3 287.246 3.126 20 0 CGADHM O=c1c(-c2cccc([O-])c2F)cccn1C1CCC1 ZINC001243546939 823439028 /nfs/dbraw/zinc/43/90/28/823439028.db2.gz VHHWHTIXCOIXHG-UHFFFAOYSA-N -1 3 259.280 3.085 20 0 CGADHM CC(C)n1nc(-c2ccc(C(F)(F)F)cc2[O-])ccc1=O ZINC001243611976 823467102 /nfs/dbraw/zinc/46/71/02/823467102.db2.gz TXNXNAWKYVGILE-UHFFFAOYSA-N -1 3 298.264 3.216 20 0 CGADHM CCOc1ccccc1-c1cc(-c2nnn[n-]2)ccc1F ZINC001239560257 820412041 /nfs/dbraw/zinc/41/20/41/820412041.db2.gz HWEKXMZKXDBANL-UHFFFAOYSA-N -1 3 284.294 3.072 20 0 CGADHM CCOc1ccccc1-c1cc(-c2nn[n-]n2)ccc1F ZINC001239560257 820412043 /nfs/dbraw/zinc/41/20/43/820412043.db2.gz HWEKXMZKXDBANL-UHFFFAOYSA-N -1 3 284.294 3.072 20 0 CGADHM Cc1cc(-c2nnn[n-]2)ccc1-c1cnc2ccccc2c1 ZINC001239794653 820609370 /nfs/dbraw/zinc/60/93/70/820609370.db2.gz LLUBHXNLWMMVTF-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM Cc1cc(-c2nn[n-]n2)ccc1-c1cnc2ccccc2c1 ZINC001239794653 820609376 /nfs/dbraw/zinc/60/93/76/820609376.db2.gz LLUBHXNLWMMVTF-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM Cc1cc(-c2nnn[n-]2)ccc1-c1c2cc[nH]c2ccc1F ZINC001240227415 820904429 /nfs/dbraw/zinc/90/44/29/820904429.db2.gz YZRUAFVXXJRNIB-UHFFFAOYSA-N -1 3 293.305 3.463 20 0 CGADHM Cc1cc(-c2nn[n-]n2)ccc1-c1c2cc[nH]c2ccc1F ZINC001240227415 820904436 /nfs/dbraw/zinc/90/44/36/820904436.db2.gz YZRUAFVXXJRNIB-UHFFFAOYSA-N -1 3 293.305 3.463 20 0 CGADHM c1nc2ccc(-c3ccc(Cc4nnn[n-]4)cc3)cc2s1 ZINC001240346220 820981895 /nfs/dbraw/zinc/98/18/95/820981895.db2.gz ZTERKMVASAZFOP-UHFFFAOYSA-N -1 3 293.355 3.067 20 0 CGADHM c1nc2ccc(-c3ccc(Cc4nn[n-]n4)cc3)cc2s1 ZINC001240346220 820981899 /nfs/dbraw/zinc/98/18/99/820981899.db2.gz ZTERKMVASAZFOP-UHFFFAOYSA-N -1 3 293.355 3.067 20 0 CGADHM CCN(CC)C(=O)c1ccc(-c2ccc([O-])c(F)c2)cn1 ZINC001240787805 821328685 /nfs/dbraw/zinc/32/86/85/821328685.db2.gz RGLGWFBEDPNCIE-UHFFFAOYSA-N -1 3 288.322 3.075 20 0 CGADHM Fc1cc(-c2nnn[n-]2)cc(-c2cc(F)c(F)c(F)c2)c1 ZINC001240981326 821464495 /nfs/dbraw/zinc/46/44/95/821464495.db2.gz GPPLQICTOMHDFC-UHFFFAOYSA-N -1 3 294.211 3.090 20 0 CGADHM Fc1cc(-c2nn[n-]n2)cc(-c2cc(F)c(F)c(F)c2)c1 ZINC001240981326 821464497 /nfs/dbraw/zinc/46/44/97/821464497.db2.gz GPPLQICTOMHDFC-UHFFFAOYSA-N -1 3 294.211 3.090 20 0 CGADHM Cc1nc(-c2ccccc2[O-])cc(C(F)(F)F)n1 ZINC001241002128 821481194 /nfs/dbraw/zinc/48/11/94/821481194.db2.gz SNZKGJONQSOSOL-UHFFFAOYSA-N -1 3 254.211 3.176 20 0 CGADHM COc1cc2cnnc(-c3ccccc3[O-])c2cc1OC ZINC001241003951 821483185 /nfs/dbraw/zinc/48/31/85/821483185.db2.gz YZPFNBMCVQACEJ-UHFFFAOYSA-N -1 3 282.299 3.020 20 0 CGADHM COCc1cc(-c2ccccc2[O-])nc(C(C)(C)C)n1 ZINC001241007912 821484277 /nfs/dbraw/zinc/48/42/77/821484277.db2.gz CAYUCZBMOASCNK-UHFFFAOYSA-N -1 3 272.348 3.293 20 0 CGADHM [O-]c1ccccc1-c1nc(-c2cccnc2)nc2c1CCC2 ZINC001241009770 821486759 /nfs/dbraw/zinc/48/67/59/821486759.db2.gz WNYZEIYJKMUCON-UHFFFAOYSA-N -1 3 289.338 3.400 20 0 CGADHM CCOc1ccc(-c2ccccc2-c2nnn[n-]2)cc1F ZINC001241086133 821549700 /nfs/dbraw/zinc/54/97/00/821549700.db2.gz KHRGCPATXSLYSA-UHFFFAOYSA-N -1 3 284.294 3.072 20 0 CGADHM CCOc1ccc(-c2ccccc2-c2nn[n-]n2)cc1F ZINC001241086133 821549707 /nfs/dbraw/zinc/54/97/07/821549707.db2.gz KHRGCPATXSLYSA-UHFFFAOYSA-N -1 3 284.294 3.072 20 0 CGADHM CC[C@H](C)Oc1nccnc1-c1cc([O-])cc(F)c1 ZINC001241260921 821680235 /nfs/dbraw/zinc/68/02/35/821680235.db2.gz CEKMKWZTANBBOF-VIFPVBQESA-N -1 3 262.284 3.166 20 0 CGADHM CC(=O)O[C@H]1Cc2ccc(-c3cc([O-])cc(F)c3)cc2C1 ZINC001241266057 821685252 /nfs/dbraw/zinc/68/52/52/821685252.db2.gz CATOZRLDNCEACK-KRWDZBQOSA-N -1 3 286.302 3.229 20 0 CGADHM COc1cc(F)c(-c2cc([O-])cc(F)c2)c(OC)c1 ZINC001241271577 821690097 /nfs/dbraw/zinc/69/00/97/821690097.db2.gz HOXQCTZBFLEBDS-UHFFFAOYSA-N -1 3 266.243 3.355 20 0 CGADHM O=c1ccc2cc(-c3cc([O-])cc(F)c3)ccc2o1 ZINC001241272701 821690823 /nfs/dbraw/zinc/69/08/23/821690823.db2.gz WXJWECHLGGYCNO-UHFFFAOYSA-N -1 3 256.232 3.305 20 0 CGADHM O=c1cc(-c2cc([O-])cc(F)c2)ccn1Cc1ccccc1 ZINC001241280073 821698789 /nfs/dbraw/zinc/69/87/89/821698789.db2.gz BLTOKRVTVRLCOO-UHFFFAOYSA-N -1 3 295.313 3.408 20 0 CGADHM Cc1cc(-c2ccc(F)c(-c3nnn[n-]3)c2)ccc1F ZINC001241280562 821699580 /nfs/dbraw/zinc/69/95/80/821699580.db2.gz AWAUKLCTXDGAOH-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM Cc1cc(-c2ccc(F)c(-c3nn[n-]n3)c2)ccc1F ZINC001241280562 821699584 /nfs/dbraw/zinc/69/95/84/821699584.db2.gz AWAUKLCTXDGAOH-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM COc1cc(F)c(-c2cc([O-])cc(F)c2)cc1OC ZINC001241280918 821699932 /nfs/dbraw/zinc/69/99/32/821699932.db2.gz YWNYZBQQYNAPHP-UHFFFAOYSA-N -1 3 266.243 3.355 20 0 CGADHM [O-]c1cc(F)cc(-c2cncc(OC(F)(F)F)c2)c1 ZINC001241280648 821700109 /nfs/dbraw/zinc/70/01/09/821700109.db2.gz QHSTWOQNJQYINR-UHFFFAOYSA-N -1 3 273.185 3.492 20 0 CGADHM O=C1NCCC[C@@H]1c1ccc(-c2cc([O-])cc(F)c2)cc1 ZINC001241282667 821702386 /nfs/dbraw/zinc/70/23/86/821702386.db2.gz NMNBURDKOVDSJV-MRXNPFEDSA-N -1 3 285.318 3.192 20 0 CGADHM COc1cc(C)c(-c2c(F)ccc([O-])c2F)c(C)n1 ZINC001241293308 821710763 /nfs/dbraw/zinc/71/07/63/821710763.db2.gz RKLIOGPACVMUOE-UHFFFAOYSA-N -1 3 265.259 3.358 20 0 CGADHM COc1cc(-c2c(F)ccc([O-])c2F)cnc1C ZINC001241293144 821711042 /nfs/dbraw/zinc/71/10/42/821711042.db2.gz RIAQJVGWIVNYJO-UHFFFAOYSA-N -1 3 251.232 3.049 20 0 CGADHM Cc1nc2[nH]ccc2cc1-c1c(F)ccc([O-])c1F ZINC001241292862 821711137 /nfs/dbraw/zinc/71/11/37/821711137.db2.gz KWMGBMBJUARVNQ-UHFFFAOYSA-N -1 3 260.243 3.474 20 0 CGADHM [O-]c1ccc(F)c(-c2cnc3ncccc3c2)c1F ZINC001241293648 821711314 /nfs/dbraw/zinc/71/13/14/821711314.db2.gz YCTGBLRCOBTBSI-UHFFFAOYSA-N -1 3 258.227 3.281 20 0 CGADHM C=CC(=O)Oc1ccc(-c2c(F)ccc([O-])c2F)cc1 ZINC001241294944 821712188 /nfs/dbraw/zinc/71/21/88/821712188.db2.gz BDNXTXUNIKXHFN-UHFFFAOYSA-N -1 3 276.238 3.429 20 0 CGADHM O=C1Nc2cc(-c3c(F)ccc([O-])c3F)ccc2C12CC2 ZINC001241294432 821712371 /nfs/dbraw/zinc/71/23/71/821712371.db2.gz WMDMPVIDUNJYOC-UHFFFAOYSA-N -1 3 287.265 3.321 20 0 CGADHM Cn1ccc2c1nccc2-c1c(F)ccc([O-])c1F ZINC001241294163 821713106 /nfs/dbraw/zinc/71/31/06/821713106.db2.gz MDFMJUPOOFZYOC-UHFFFAOYSA-N -1 3 260.243 3.224 20 0 CGADHM Cc1nc2cc(-c3c(F)ccc([O-])c3F)cnc2o1 ZINC001241295004 821713138 /nfs/dbraw/zinc/71/31/38/821713138.db2.gz DVEZUZKANUTLBN-UHFFFAOYSA-N -1 3 262.215 3.182 20 0 CGADHM Nc1noc2cc(-c3c(F)ccc([O-])c3F)ccc12 ZINC001241294312 821713155 /nfs/dbraw/zinc/71/31/55/821713155.db2.gz PNBYWJYJJDZNKR-UHFFFAOYSA-N -1 3 262.215 3.061 20 0 CGADHM c1cc2cccc(-c3ccc(-c4nnn[n-]4)cc3)c2o1 ZINC001241444037 821838253 /nfs/dbraw/zinc/83/82/53/821838253.db2.gz NUEDVDBMLSKEBP-UHFFFAOYSA-N -1 3 262.272 3.280 20 0 CGADHM c1cc2cccc(-c3ccc(-c4nn[n-]n4)cc3)c2o1 ZINC001241444037 821838256 /nfs/dbraw/zinc/83/82/56/821838256.db2.gz NUEDVDBMLSKEBP-UHFFFAOYSA-N -1 3 262.272 3.280 20 0 CGADHM FCc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001241443795 821839033 /nfs/dbraw/zinc/83/90/33/821839033.db2.gz ZXCLORZJCAJRAH-UHFFFAOYSA-N -1 3 254.268 3.003 20 0 CGADHM FCc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001241443795 821839042 /nfs/dbraw/zinc/83/90/42/821839042.db2.gz ZXCLORZJCAJRAH-UHFFFAOYSA-N -1 3 254.268 3.003 20 0 CGADHM Fc1cc(F)c(F)c(-c2ccc(-c3nnn[n-]3)cc2)c1F ZINC001241444827 821839056 /nfs/dbraw/zinc/83/90/56/821839056.db2.gz WSEWOKHOOWJAQX-UHFFFAOYSA-N -1 3 294.211 3.090 20 0 CGADHM Fc1cc(F)c(F)c(-c2ccc(-c3nn[n-]n3)cc2)c1F ZINC001241444827 821839064 /nfs/dbraw/zinc/83/90/64/821839064.db2.gz WSEWOKHOOWJAQX-UHFFFAOYSA-N -1 3 294.211 3.090 20 0 CGADHM Cc1cc(-c2ccc(-c3nnn[n-]3)cc2)c2ccccc2n1 ZINC001241445029 821841320 /nfs/dbraw/zinc/84/13/20/821841320.db2.gz IVGWJCKZKSMPCJ-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM Cc1cc(-c2ccc(-c3nn[n-]n3)cc2)c2ccccc2n1 ZINC001241445029 821841330 /nfs/dbraw/zinc/84/13/30/821841330.db2.gz IVGWJCKZKSMPCJ-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM COc1ccc(-c2nnn[n-]2)cc1-c1cc(C)c(C)cc1C ZINC001241634096 822012434 /nfs/dbraw/zinc/01/24/34/822012434.db2.gz PCKLTWSXZMAPLU-UHFFFAOYSA-N -1 3 294.358 3.468 20 0 CGADHM COc1ccc(-c2nn[n-]n2)cc1-c1cc(C)c(C)cc1C ZINC001241634096 822012439 /nfs/dbraw/zinc/01/24/39/822012439.db2.gz PCKLTWSXZMAPLU-UHFFFAOYSA-N -1 3 294.358 3.468 20 0 CGADHM O=C([O-])c1cncc(-c2cccc(C3=NCCC3)c2)c1 ZINC001241801317 822150060 /nfs/dbraw/zinc/15/00/60/822150060.db2.gz CJKKJBILHAZZCR-UHFFFAOYSA-N -1 3 266.300 3.030 20 0 CGADHM Cc1ccc(-c2ccc3scnc3c2)cc1-c1nnn[n-]1 ZINC001241870121 822188240 /nfs/dbraw/zinc/18/82/40/822188240.db2.gz XRHLWFMXQSEVCH-UHFFFAOYSA-N -1 3 293.355 3.452 20 0 CGADHM Cc1ccc(-c2ccc3scnc3c2)cc1-c1nn[n-]n1 ZINC001241870121 822188245 /nfs/dbraw/zinc/18/82/45/822188245.db2.gz XRHLWFMXQSEVCH-UHFFFAOYSA-N -1 3 293.355 3.452 20 0 CGADHM COc1ccc(-c2ccc3c(N)ccnc3c2)cc1C(=O)[O-] ZINC001241875116 822191160 /nfs/dbraw/zinc/19/11/60/822191160.db2.gz TVSYSAWTSUFGCK-UHFFFAOYSA-N -1 3 294.310 3.191 20 0 CGADHM Cc1ccc(-c2ccccc2-c2nnn[n-]2)c(F)c1F ZINC001242028887 822292706 /nfs/dbraw/zinc/29/27/06/822292706.db2.gz GSHFQXSYEFKTJH-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM Cc1ccc(-c2ccccc2-c2nn[n-]n2)c(F)c1F ZINC001242028887 822292714 /nfs/dbraw/zinc/29/27/14/822292714.db2.gz GSHFQXSYEFKTJH-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM [O-]c1ccc(-c2cncc3nccn32)cc1C(F)(F)F ZINC001242156914 822898484 /nfs/dbraw/zinc/89/84/84/822898484.db2.gz AEUXHQAXZSBMJW-UHFFFAOYSA-N -1 3 279.221 3.121 20 0 CGADHM COC(=O)c1cncc(-c2ccc([O-])c(C(F)(F)F)c2)c1 ZINC001242158468 822898840 /nfs/dbraw/zinc/89/88/40/822898840.db2.gz ZYQHJJYAEDWLME-UHFFFAOYSA-N -1 3 297.232 3.260 20 0 CGADHM Nc1cc(-c2ccc([O-])c(C(F)(F)F)c2)ccn1 ZINC001242157995 822899060 /nfs/dbraw/zinc/89/90/60/822899060.db2.gz OZGXQHZMPFYLHN-UHFFFAOYSA-N -1 3 254.211 3.055 20 0 CGADHM Cc1nnc2ccc(-c3ccc([O-])c(C(F)(F)F)c3)cn12 ZINC001242166056 822901044 /nfs/dbraw/zinc/90/10/44/822901044.db2.gz LWOCOOQKAWGTBS-UHFFFAOYSA-N -1 3 293.248 3.429 20 0 CGADHM CC(=O)Nc1cc(-c2ccc(F)cc2[O-])ccc1C ZINC001242218422 822914823 /nfs/dbraw/zinc/91/48/23/822914823.db2.gz DLXUMBVEAZBVQR-UHFFFAOYSA-N -1 3 259.280 3.465 20 0 CGADHM O=C1CCc2ccc(-c3ccc(F)cc3[O-])cc2N1 ZINC001242217870 822914946 /nfs/dbraw/zinc/91/49/46/822914946.db2.gz LJVVBPCLONRTEA-UHFFFAOYSA-N -1 3 257.264 3.083 20 0 CGADHM COC(=O)c1c(C)cc(-c2ccc(F)cc2[O-])cc1F ZINC001242218933 822915627 /nfs/dbraw/zinc/91/56/27/822915627.db2.gz FAFQPAUOLIOHKA-UHFFFAOYSA-N -1 3 278.254 3.432 20 0 CGADHM O=C1NCCC[C@@H]1c1ccc(-c2ccc(F)cc2[O-])cc1 ZINC001242219792 822916030 /nfs/dbraw/zinc/91/60/30/822916030.db2.gz QVOUWIMUVCJWIZ-OAHLLOKOSA-N -1 3 285.318 3.192 20 0 CGADHM Cn1c(=O)cc(-c2ccc(F)cc2[O-])c2ccccc21 ZINC001242220857 822916752 /nfs/dbraw/zinc/91/67/52/822916752.db2.gz DJHZGKVNNLPMLP-UHFFFAOYSA-N -1 3 269.275 3.050 20 0 CGADHM Cc1cc2n[nH]cc2cc1-c1ccc(-c2nn[n-]n2)cc1C ZINC001242283822 822937385 /nfs/dbraw/zinc/93/73/85/822937385.db2.gz ARDJKLXTPKRJAY-UHFFFAOYSA-N -1 3 290.330 3.027 20 0 CGADHM CCC(=O)NCc1cccc(-c2cccc(F)c2[O-])c1 ZINC001242350369 822960231 /nfs/dbraw/zinc/96/02/31/822960231.db2.gz CXFVZZXKHFYYTG-UHFFFAOYSA-N -1 3 273.307 3.225 20 0 CGADHM [O-]c1c(F)cccc1-c1ccc(N2CCCC2)nc1 ZINC001242351049 822961466 /nfs/dbraw/zinc/96/14/66/822961466.db2.gz CPVGNOUZVRUELD-UHFFFAOYSA-N -1 3 258.296 3.194 20 0 CGADHM CCOC(=O)c1ccc(-c2cccc(F)c2[O-])c(C)n1 ZINC001242352146 822961733 /nfs/dbraw/zinc/96/17/33/822961733.db2.gz ODAXUIMJIXYUNE-UHFFFAOYSA-N -1 3 275.279 3.078 20 0 CGADHM O=c1ccc2cc(-c3cccc(F)c3[O-])ccc2o1 ZINC001242351685 822962177 /nfs/dbraw/zinc/96/21/77/822962177.db2.gz OVLRJGXQYNOLFB-UHFFFAOYSA-N -1 3 256.232 3.305 20 0 CGADHM CC[C@H](N[C@H](C)c1nc(C)cc(=O)[n-]1)c1ccc(F)cc1 ZINC001344099704 936526024 /nfs/dbraw/zinc/52/60/24/936526024.db2.gz VFEZHAFHBUJKLB-RISCZKNCSA-N -1 3 289.354 3.432 20 0 CGADHM CCc1ccc(C(=O)N[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)c([O-])c1 ZINC001347989331 936905882 /nfs/dbraw/zinc/90/58/82/936905882.db2.gz PHZBUXPCCSJHFP-KGYLQXTDSA-N -1 3 295.329 3.118 20 0 CGADHM Cc1ccc(N(CC2CC2)C(=O)c2ccc(N)cc2[O-])cc1 ZINC001349908655 936968541 /nfs/dbraw/zinc/96/85/41/936968541.db2.gz LQKZEKXCGJZXOY-UHFFFAOYSA-N -1 3 296.370 3.340 20 0 CGADHM CC[C@H](C)CC[C@@H](C)Oc1nc(C(=O)OC)ccc1[O-] ZINC001227826532 927269976 /nfs/dbraw/zinc/26/99/76/927269976.db2.gz SJZMTQHSZILNGC-WDEREUQCSA-N -1 3 281.352 3.167 20 0 CGADHM C[C@H](CC(=O)[N-]OCCOc1ccccc1)c1ccccc1 ZINC000062515211 928097673 /nfs/dbraw/zinc/09/76/73/928097673.db2.gz ICSXNCWBXGHRNF-OAHLLOKOSA-N -1 3 299.370 3.307 20 0 CGADHM CC(=O)c1ccc(C(=O)N2CCCc3ccccc32)cc1[O-] ZINC001440519367 937331123 /nfs/dbraw/zinc/33/11/23/937331123.db2.gz LAZRLUHUEMZEQE-UHFFFAOYSA-N -1 3 295.338 3.188 20 0 CGADHM CCCn1ccc(CNC(=O)c2ccc(CC)cc2[O-])c1 ZINC001447643484 937370369 /nfs/dbraw/zinc/37/03/69/937370369.db2.gz GDDTUXKVIJVCAE-UHFFFAOYSA-N -1 3 286.375 3.096 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2cccc(C(C)C)c2)n1 ZINC001448621453 937375909 /nfs/dbraw/zinc/37/59/09/937375909.db2.gz UFYRYDQAZDTCKY-UHFFFAOYSA-N -1 3 270.332 3.471 20 0 CGADHM CC(=O)c1cccc(NC(=O)Cc2ccsc2C)c1[O-] ZINC001450602453 937386293 /nfs/dbraw/zinc/38/62/93/937386293.db2.gz FJPYYHWRJSRATB-UHFFFAOYSA-N -1 3 289.356 3.146 20 0 CGADHM Cc1nn(C)c2cc(NC(=O)c3c(C)cccc3[O-])ccc12 ZINC001450023827 937382332 /nfs/dbraw/zinc/38/23/32/937382332.db2.gz RCSCHLUGRPNREM-UHFFFAOYSA-N -1 3 295.342 3.148 20 0 CGADHM C[C@@H]1C[C@@H](CC(=O)[N-]OCc2ccccn2)CC(C)(C)C1 ZINC001451090732 937389019 /nfs/dbraw/zinc/38/90/19/937389019.db2.gz KLEOFRUPIPNINK-KGLIPLIRSA-N -1 3 290.407 3.482 20 0 CGADHM CSc1ccc([O-])c(C(=O)N[C@@H]2CCCC23CC3)c1 ZINC001454566516 937409588 /nfs/dbraw/zinc/40/95/88/937409588.db2.gz XQVCXYBOEGYEFC-CYBMUJFWSA-N -1 3 277.389 3.177 20 0 CGADHM CCN(OC)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001455985011 937424154 /nfs/dbraw/zinc/42/41/54/937424154.db2.gz JEGAYDHVWANXBA-UHFFFAOYSA-N -1 3 285.343 3.007 20 0 CGADHM Cc1nc(Nc2cc(Cl)cnc2OC(C)C)cc(=O)[n-]1 ZINC001203310814 931998752 /nfs/dbraw/zinc/99/87/52/931998752.db2.gz BANPSUMJRBLOHU-UHFFFAOYSA-N -1 3 294.742 3.070 20 0 CGADHM C[C@H](Oc1cccc([O-])c1Br)C(F)(F)F ZINC001229140068 932102814 /nfs/dbraw/zinc/10/28/14/932102814.db2.gz SUIAQQSYWQGTML-YFKPBYRVSA-N -1 3 285.059 3.484 20 0 CGADHM COc1cccc2nc(=O)[n-]c(O[C@@H](C)c3ccccc3)c21 ZINC001229239701 932121541 /nfs/dbraw/zinc/12/15/41/932121541.db2.gz OYSGKTNEXBWEQG-NSHDSACASA-N -1 3 296.326 3.484 20 0 CGADHM Cc1ccc2c(c1)[C@H](Oc1nc(C)[n-]c(=O)c1C)CC2 ZINC001229684134 932188346 /nfs/dbraw/zinc/18/83/46/932188346.db2.gz WMGYXWJIQKYAGR-CQSZACIVSA-N -1 3 270.332 3.174 20 0 CGADHM C[C@@H](CCc1ccccc1)Oc1ccccc1-c1nnn[n-]1 ZINC001229949437 932507349 /nfs/dbraw/zinc/50/73/49/932507349.db2.gz AWEQGVDXXHWBIS-ZDUSSCGKSA-N -1 3 294.358 3.267 20 0 CGADHM C[C@@H](CCc1ccccc1)Oc1ccccc1-c1nn[n-]n1 ZINC001229949437 932507354 /nfs/dbraw/zinc/50/73/54/932507354.db2.gz AWEQGVDXXHWBIS-ZDUSSCGKSA-N -1 3 294.358 3.267 20 0 CGADHM CC/C=C(\C)[C@H](CC)Oc1ccccc1-c1nnn[n-]1 ZINC001229949867 932507685 /nfs/dbraw/zinc/50/76/85/932507685.db2.gz HEAUGVIBCXWYKI-YKWSONSWSA-N -1 3 272.352 3.380 20 0 CGADHM CC/C=C(\C)[C@H](CC)Oc1ccccc1-c1nn[n-]n1 ZINC001229949867 932507691 /nfs/dbraw/zinc/50/76/91/932507691.db2.gz HEAUGVIBCXWYKI-YKWSONSWSA-N -1 3 272.352 3.380 20 0 CGADHM C[C@H]1C[C@H](Oc2ccccc2-c2nnn[n-]2)CC(C)(C)C1 ZINC001229951676 932508021 /nfs/dbraw/zinc/50/80/21/932508021.db2.gz SWPAPOCGWJWLDM-RYUDHWBXSA-N -1 3 286.379 3.460 20 0 CGADHM C[C@H]1C[C@H](Oc2ccccc2-c2nn[n-]n2)CC(C)(C)C1 ZINC001229951676 932508027 /nfs/dbraw/zinc/50/80/27/932508027.db2.gz SWPAPOCGWJWLDM-RYUDHWBXSA-N -1 3 286.379 3.460 20 0 CGADHM C[C@@H]1CCC[C@@H](Oc2ccccc2-c2nnn[n-]2)[C@H]1C ZINC001229955840 932509762 /nfs/dbraw/zinc/50/97/62/932509762.db2.gz ZOUMUXBJPWHGIR-NTZNESFSSA-N -1 3 272.352 3.070 20 0 CGADHM C[C@@H]1CCC[C@@H](Oc2ccccc2-c2nn[n-]n2)[C@H]1C ZINC001229955840 932509765 /nfs/dbraw/zinc/50/97/65/932509765.db2.gz ZOUMUXBJPWHGIR-NTZNESFSSA-N -1 3 272.352 3.070 20 0 CGADHM CC(C)CCC[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC001229954587 932510125 /nfs/dbraw/zinc/51/01/25/932510125.db2.gz MUVOSMWXDMLFCX-GFCCVEGCSA-N -1 3 274.368 3.460 20 0 CGADHM CC(C)CCC[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC001229954587 932510129 /nfs/dbraw/zinc/51/01/29/932510129.db2.gz MUVOSMWXDMLFCX-GFCCVEGCSA-N -1 3 274.368 3.460 20 0 CGADHM C[C@H]1C[C@H](Oc2ccc(-c3nn[n-]n3)cc2)C[C@@H](C)C1 ZINC001231072691 932671165 /nfs/dbraw/zinc/67/11/65/932671165.db2.gz FVBXBJKJARMKFI-YABSGUDNSA-N -1 3 272.352 3.070 20 0 CGADHM CC(C)CC[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001231074233 932673015 /nfs/dbraw/zinc/67/30/15/932673015.db2.gz RQJQWHQJCAYAHO-NSHDSACASA-N -1 3 260.341 3.070 20 0 CGADHM CC(C)(C)O[N-]C(=O)c1c(F)ccc(F)c1Cl ZINC001334724249 932770960 /nfs/dbraw/zinc/77/09/60/932770960.db2.gz UYUWWOAAHKGEEP-UHFFFAOYSA-N -1 3 263.671 3.078 20 0 CGADHM O=C(NCc1cncc(F)c1)c1cc([O-])c2ccccc2c1 ZINC001303483179 932827361 /nfs/dbraw/zinc/82/73/61/932827361.db2.gz CTZFQRNNVMUKCP-UHFFFAOYSA-N -1 3 296.301 3.010 20 0 CGADHM [O-]c1ccc(CN[C@@H]2CCc3ccc(O)cc32)c(F)c1F ZINC001462447042 937641572 /nfs/dbraw/zinc/64/15/72/937641572.db2.gz JZXNETFGEXQGMC-CYBMUJFWSA-N -1 3 291.297 3.153 20 0 CGADHM COC(=O)c1cc(C)cc(NCc2ccc([O-])c(F)c2)c1 ZINC001462617833 937654363 /nfs/dbraw/zinc/65/43/63/937654363.db2.gz JUXHDHKSUOBPTN-UHFFFAOYSA-N -1 3 289.306 3.238 20 0 CGADHM Cc1ccc(F)c(C(=O)[N-]c2nocc2C2CC2)c1F ZINC001462557046 937650426 /nfs/dbraw/zinc/65/04/26/937650426.db2.gz RITICHFMWXQPBN-UHFFFAOYSA-N -1 3 278.258 3.391 20 0 CGADHM Cc1cccc([O-])c1C(=O)Nc1cccc(-c2ncc[nH]2)c1 ZINC001464808384 937695893 /nfs/dbraw/zinc/69/58/93/937695893.db2.gz PMJKQQDJCOHCIQ-UHFFFAOYSA-N -1 3 293.326 3.343 20 0 CGADHM CC1(C)CCCC[C@@H]1CC(=O)Nc1ncccc1[O-] ZINC001466802856 937712655 /nfs/dbraw/zinc/71/26/55/937712655.db2.gz FGZHTBRYJSETKX-LLVKDONJSA-N -1 3 262.353 3.332 20 0 CGADHM CCc1oc2ccccc2c1CC(=O)[N-]OCCC1CC1 ZINC001468413566 937727763 /nfs/dbraw/zinc/72/77/63/937727763.db2.gz MJNSZOJGEMLXMM-UHFFFAOYSA-N -1 3 287.359 3.386 20 0 CGADHM O=C(Nc1ncccc1[O-])C1(Sc2ccccc2)CC1 ZINC001320144561 934007874 /nfs/dbraw/zinc/00/78/74/934007874.db2.gz ZVTFPANBVIHRAH-UHFFFAOYSA-N -1 3 286.356 3.051 20 0 CGADHM Cc1cc(C)c(O)c(NC(=O)c2[n-]cnc2C(F)(F)F)c1 ZINC001470981535 937760273 /nfs/dbraw/zinc/76/02/73/937760273.db2.gz LAAFTMVEKOLLDI-UHFFFAOYSA-N -1 3 299.252 3.003 20 0 CGADHM Cc1cc(C)c(O)c(NC(=O)c2nc[n-]c2C(F)(F)F)c1 ZINC001470981535 937760275 /nfs/dbraw/zinc/76/02/75/937760275.db2.gz LAAFTMVEKOLLDI-UHFFFAOYSA-N -1 3 299.252 3.003 20 0 CGADHM Cc1cccc([O-])c1C(=O)N(C)Cc1ccc2cc[nH]c2c1 ZINC001471423042 937765318 /nfs/dbraw/zinc/76/53/18/937765318.db2.gz ZGSYDTGSPHKWNJ-UHFFFAOYSA-N -1 3 294.354 3.454 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2ccc3c(n2)CCCC3)c1 ZINC001471717585 937768847 /nfs/dbraw/zinc/76/88/47/937768847.db2.gz XBBYPRLDAFOTJZ-UHFFFAOYSA-N -1 3 296.370 3.481 20 0 CGADHM Cc1cnc(CNC(=O)c2ccc(C(C)C)cc2[O-])c(C)c1 ZINC001471763040 937769018 /nfs/dbraw/zinc/76/90/18/937769018.db2.gz LYZPYYLUAMERLY-UHFFFAOYSA-N -1 3 298.386 3.457 20 0 CGADHM CC(C)c1nc(CN[C@H](C)[C@H](C(=O)[O-])C(C)C)cs1 ZINC001325880129 934937164 /nfs/dbraw/zinc/93/71/64/934937164.db2.gz ROTZMDBOXJONHG-ZYHUDNBSSA-N -1 3 284.425 3.101 20 0 CGADHM O=C(OCC1CCC(O)CC1)c1cc(Cl)c(Cl)[n-]1 ZINC001330290382 935283595 /nfs/dbraw/zinc/28/35/95/935283595.db2.gz SPCAIIFBWQYKJT-UHFFFAOYSA-N -1 3 292.162 3.029 20 0 CGADHM C[C@H](NC1CC(CC(=O)[O-])C1)c1nc(C(C)(C)C)cs1 ZINC001331967086 935428481 /nfs/dbraw/zinc/42/84/81/935428481.db2.gz CROVQMSNQMZCFO-WHXUTIOJSA-N -1 3 296.436 3.345 20 0 CGADHM COc1ccc(C)cc1CN[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001334016269 936079154 /nfs/dbraw/zinc/07/91/54/936079154.db2.gz MCRLZMUVCMKAHD-GOSISDBHSA-N -1 3 299.370 3.093 20 0 CGADHM CCc1ccc([O-])c(C(=O)N(C)[C@H]2CC[C@H](SC)C2)c1 ZINC001337058288 936234753 /nfs/dbraw/zinc/23/47/53/936234753.db2.gz XAHMDWXYLBSSSA-STQMWFEESA-N -1 3 293.432 3.311 20 0 CGADHM Cc1cc(=O)[n-]c(N[C@@H](C)CCCC(F)(F)F)n1 ZINC001337142042 936239211 /nfs/dbraw/zinc/23/92/11/936239211.db2.gz JIUKTLOLWJMDEU-ZETCQYMHSA-N -1 3 263.263 3.024 20 0 CGADHM CC[C@H]1CCCC[C@@H]1C[N-]S(=O)(=O)c1ccc(C)o1 ZINC001475347767 937882804 /nfs/dbraw/zinc/88/28/04/937882804.db2.gz WEOPUIBZDGYCHX-QWHCGFSZSA-N -1 3 285.409 3.083 20 0 CGADHM C[C@H](NC(=O)c1ccccc1[O-])C(C)(C)c1ccccc1 ZINC001546313956 937999261 /nfs/dbraw/zinc/99/92/61/937999261.db2.gz UFEVJUNFMWEHTH-ZDUSSCGKSA-N -1 3 283.371 3.488 20 0 CGADHM CC(C)(C)[S@@](C)(=O)=NC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC001514604638 938002077 /nfs/dbraw/zinc/00/20/77/938002077.db2.gz NCQFMRMSKWWTGS-QGZVFWFLSA-N -1 3 297.207 3.358 20 0 CGADHM O=C([N-]c1ccccc1F)c1ocnc1C(F)F ZINC001521872809 938035106 /nfs/dbraw/zinc/03/51/06/938035106.db2.gz LOYUMQZSFJUXGG-UHFFFAOYSA-N -1 3 256.183 3.004 20 0 CGADHM O=C([N-]c1cc(F)ccn1)c1cc(-c2ccccc2)no1 ZINC001527904727 938064103 /nfs/dbraw/zinc/06/41/03/938064103.db2.gz RFCHCLLCMRUTBX-UHFFFAOYSA-N -1 3 283.262 3.128 20 0 CGADHM COc1cc(Cl)c(F)c(C(=O)[N-]c2c(C)noc2C)c1 ZINC001528454356 938067606 /nfs/dbraw/zinc/06/76/06/938067606.db2.gz VCEOPZZJCVFDSZ-UHFFFAOYSA-N -1 3 298.701 3.345 20 0 CGADHM COC(=O)c1oc(C(=O)[N-]c2cscc2Cl)cc1C ZINC001537302323 938109241 /nfs/dbraw/zinc/10/92/41/938109241.db2.gz IEYWLHPCDRAODT-UHFFFAOYSA-N -1 3 299.735 3.342 20 0 CGADHM CC(=O)c1cc(F)c([N-]C(=O)c2cc(C)co2)c(F)c1 ZINC001537454039 938110556 /nfs/dbraw/zinc/11/05/56/938110556.db2.gz RBVLGLZXVBYGPE-UHFFFAOYSA-N -1 3 279.242 3.321 20 0 CGADHM CCc1ccc(C(=O)N[C@@H](C)c2cccc(OC)c2)c([O-])c1 ZINC001540786809 938133906 /nfs/dbraw/zinc/13/39/06/938133906.db2.gz KHLGBYNSNAMVIH-LBPRGKRZSA-N -1 3 299.370 3.454 20 0 CGADHM CC1(C)[C@H](NCc2cc(C(=O)[O-])co2)[C@H]1c1ccccc1 ZINC001550345330 938165914 /nfs/dbraw/zinc/16/59/14/938165914.db2.gz HQJMVRPHDGNQSH-HUUCEWRRSA-N -1 3 285.343 3.260 20 0 CGADHM CC1(C)[C@H](NCc2cccc(C(=O)[O-])n2)[C@@H]1c1ccccc1 ZINC001550345326 938165923 /nfs/dbraw/zinc/16/59/23/938165923.db2.gz HHRGZVSSQRFHMD-JKSUJKDBSA-N -1 3 296.370 3.062 20 0 CGADHM Cc1nc([C@@H]2CCCCN2C[C@H]2C[C@@H]2C(=O)[O-])sc1C ZINC001550703157 938170295 /nfs/dbraw/zinc/17/02/95/938170295.db2.gz NJHVXHPKCGMZFO-AGIUHOORSA-N -1 3 294.420 3.008 20 0 CGADHM Cc1ccc(/C=C\C(=O)Nc2c([O-])cccc2Cl)cn1 ZINC001556784585 938205744 /nfs/dbraw/zinc/20/57/44/938205744.db2.gz YOYJMJCQMYBXIZ-FPLPWBNLSA-N -1 3 288.734 3.401 20 0 CGADHM COc1cccc(SC)c1[N-]C(=O)c1ccns1 ZINC001557068179 938207590 /nfs/dbraw/zinc/20/75/90/938207590.db2.gz VMGYILUCKSDCPF-UHFFFAOYSA-N -1 3 280.374 3.126 20 0 CGADHM CO[C@@H](CNC(=O)c1ccc(C)cc1[O-])C1CCCCC1 ZINC001557665108 938211372 /nfs/dbraw/zinc/21/13/72/938211372.db2.gz GHGDPCZUBXRUFT-INIZCTEOSA-N -1 3 291.391 3.026 20 0 CGADHM Cc1ccc(C(=O)NCC[C@@H]2CCCC2(F)F)c([O-])c1 ZINC001558113688 938213475 /nfs/dbraw/zinc/21/34/75/938213475.db2.gz LUFQLZVXKRTHST-NSHDSACASA-N -1 3 283.318 3.256 20 0 CGADHM CCC(CC)(CC)C(=O)Nc1cc(C(=O)OC(C)C)n[n-]1 ZINC001558560421 938216341 /nfs/dbraw/zinc/21/63/41/938216341.db2.gz RXBAYJACMUSXAR-UHFFFAOYSA-N -1 3 295.383 3.130 20 0 CGADHM CCC(CC)(CC)C(=O)Nc1cc(C(=O)OC(C)C)[n-]n1 ZINC001558560421 938216342 /nfs/dbraw/zinc/21/63/42/938216342.db2.gz RXBAYJACMUSXAR-UHFFFAOYSA-N -1 3 295.383 3.130 20 0 CGADHM CCC[C@@H]1CCCN1C(=O)c1cc(CC)ccc1[O-] ZINC001558686844 938217284 /nfs/dbraw/zinc/21/72/84/938217284.db2.gz DCCNSZPHNHWEQB-CYBMUJFWSA-N -1 3 261.365 3.359 20 0 CGADHM Cc1cccc([O-])c1C(=O)NC[C@@H]1C[C@@H]1C1CCCC1 ZINC001558843706 938218132 /nfs/dbraw/zinc/21/81/32/938218132.db2.gz WAGPCFGBGISRJK-UONOGXRCSA-N -1 3 273.376 3.257 20 0 CGADHM CCc1ccc2c(c1)CN([C@@H](C)c1nc(C)cc(=O)[n-]1)CC2 ZINC001560241864 938248873 /nfs/dbraw/zinc/24/88/73/938248873.db2.gz QQLQBXNPPFIWQJ-ZDUSSCGKSA-N -1 3 297.402 3.172 20 0 CGADHM O=C([O-])c1ccc(CN[C@H]2CCCc3ccc(O)cc32)cc1 ZINC001611540114 971100139 /nfs/dbraw/zinc/10/01/39/971100139.db2.gz NQQZXMRHWUXKTJ-KRWDZBQOSA-N -1 3 297.354 3.258 20 0 CGADHM O=C([O-])[C@H](NCc1cccc2ccoc21)c1ccc(F)cc1 ZINC001594844225 954117773 /nfs/dbraw/zinc/11/77/73/954117773.db2.gz RRJVXOJNCALBDZ-OAHLLOKOSA-N -1 3 299.301 3.487 20 0 CGADHM C[C@](NCc1ccc(F)cc1)(C(=O)[O-])c1ccc(F)cc1 ZINC000041756915 957393451 /nfs/dbraw/zinc/39/34/51/957393451.db2.gz LMOGKRFHHHRPSS-MRXNPFEDSA-N -1 3 291.297 3.054 20 0 CGADHM CN(CCc1cccs1)Cc1cc(C(=O)[O-])ccc1F ZINC000093290133 958243115 /nfs/dbraw/zinc/24/31/15/958243115.db2.gz HXBIHOKIYOWEFC-UHFFFAOYSA-N -1 3 293.363 3.260 20 0 CGADHM C[C@H](NCc1ccccc1C(=O)[O-])c1ccc(Cl)nc1 ZINC001603250908 972423983 /nfs/dbraw/zinc/42/39/83/972423983.db2.gz RFCZAMXCLMJBNN-JTQLQIEISA-N -1 3 290.750 3.284 20 0 CGADHM Cc1ccc(CNCc2ccc(C(=O)[O-])s2)cc1F ZINC001594362428 960516527 /nfs/dbraw/zinc/51/65/27/960516527.db2.gz DNNSLTNPUSQGPO-UHFFFAOYSA-N -1 3 279.336 3.184 20 0 CGADHM C[C@H]1C[C@@H](NCc2cc(C(=O)[O-])ccc2Cl)CS1 ZINC001594262250 960516660 /nfs/dbraw/zinc/51/66/60/960516660.db2.gz VXCFIESBWFIUND-GZMMTYOYSA-N -1 3 285.796 3.022 20 0 CGADHM CCc1ccc(C(=O)Nc2ccc3[nH]c(C)nc3c2)c([O-])c1 ZINC001566328723 960921724 /nfs/dbraw/zinc/92/17/24/960921724.db2.gz BOYRILKSLQBWAV-UHFFFAOYSA-N -1 3 295.342 3.392 20 0 CGADHM Cc1cc(C(=O)Nc2cc(Cl)ccc2[O-])c(N)cc1F ZINC001566639020 960978614 /nfs/dbraw/zinc/97/86/14/960978614.db2.gz OONAOOPBJINCKB-UHFFFAOYSA-N -1 3 294.713 3.328 20 0 CGADHM CC(C)CN1CCC[C@H]1C(=O)Nc1cccc(Cl)c1[O-] ZINC001567072718 961112702 /nfs/dbraw/zinc/11/27/02/961112702.db2.gz ISNUSYAXRLLGQV-ZDUSSCGKSA-N -1 3 296.798 3.105 20 0 CGADHM CC[C@H]1CCC[C@H]1CNC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC001569218957 961716652 /nfs/dbraw/zinc/71/66/52/961716652.db2.gz MJSVPXOZWJDTIZ-JSGCOSHPSA-N -1 3 289.375 3.151 20 0 CGADHM CCc1ccc(Nc2cc(F)ccc2-c2nnn[n-]2)cc1 ZINC001578526553 962592637 /nfs/dbraw/zinc/59/26/37/962592637.db2.gz WRCCVDPGDJZFGM-UHFFFAOYSA-N -1 3 283.310 3.312 20 0 CGADHM CCc1ccc(Nc2cc(F)ccc2-c2nn[n-]n2)cc1 ZINC001578526553 962592641 /nfs/dbraw/zinc/59/26/41/962592641.db2.gz WRCCVDPGDJZFGM-UHFFFAOYSA-N -1 3 283.310 3.312 20 0 CGADHM Cc1ccc(OC[C@H](C)NC(=O)c2c(C)cccc2[O-])cc1 ZINC001583649279 962836893 /nfs/dbraw/zinc/83/68/93/962836893.db2.gz YBFNYYCROQETDN-AWEZNQCLSA-N -1 3 299.370 3.206 20 0 CGADHM Cc1ccc(C(=O)NCCc2cc(C)cc(C)c2)c([O-])c1 ZINC001586515575 963113674 /nfs/dbraw/zinc/11/36/74/963113674.db2.gz ZLEZILHJQQZKSD-UHFFFAOYSA-N -1 3 283.371 3.290 20 0 CGADHM CCc1ccc(C(=O)N[C@@H]2C[C@H]2c2ccsc2)c([O-])c1 ZINC001587313464 963186247 /nfs/dbraw/zinc/18/62/47/963186247.db2.gz PUDCKSBFAKCGJJ-UONOGXRCSA-N -1 3 287.384 3.302 20 0 CGADHM CCc1ccc(C(=O)NCCCCC2CC2)c([O-])c1 ZINC001587414863 963195080 /nfs/dbraw/zinc/19/50/80/963195080.db2.gz COWFJJYAAAKWOI-UHFFFAOYSA-N -1 3 261.365 3.265 20 0 CGADHM O=C([N-]c1ccsn1)c1nc(Cl)sc1Cl ZINC001588201277 963258139 /nfs/dbraw/zinc/25/81/39/963258139.db2.gz HUUDZPXXMLBVBP-UHFFFAOYSA-N -1 3 280.161 3.159 20 0 CGADHM CC(C)c1nc([C@@H](C)N[C@@H]2CC[C@H](C(=O)[O-])C2)cs1 ZINC001588975051 963336479 /nfs/dbraw/zinc/33/64/79/963336479.db2.gz RPWFTVPFHMMYTI-OUAUKWLOSA-N -1 3 282.409 3.170 20 0 CGADHM CC(C)(C)c1ccc(-c2nnn[n-]2)c(NCC2=CCCC2)n1 ZINC001589222708 963351222 /nfs/dbraw/zinc/35/12/22/963351222.db2.gz SIMGWZYUDNRWKO-UHFFFAOYSA-N -1 3 298.394 3.081 20 0 CGADHM CC(C)(C)c1ccc(-c2nn[n-]n2)c(NCC2=CCCC2)n1 ZINC001589222708 963351233 /nfs/dbraw/zinc/35/12/33/963351233.db2.gz SIMGWZYUDNRWKO-UHFFFAOYSA-N -1 3 298.394 3.081 20 0 CGADHM CCCC1(CN[C@@H](C)c2ncc(C(=O)[O-])s2)CC1 ZINC000314770546 963807926 /nfs/dbraw/zinc/80/79/26/963807926.db2.gz IKUMMMPMFTVMJT-VIFPVBQESA-N -1 3 268.382 3.072 20 0 CGADHM CC(C)C(C)(C)CN[C@H](C)c1ncc(C(=O)[O-])s1 ZINC000315392577 963894253 /nfs/dbraw/zinc/89/42/53/963894253.db2.gz UCWJXKLLYKIQED-SECBINFHSA-N -1 3 270.398 3.174 20 0 CGADHM CC(C)CCCOc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001589597501 964000014 /nfs/dbraw/zinc/00/00/14/964000014.db2.gz IAFNXMVAGCONGM-UHFFFAOYSA-N -1 3 280.759 3.335 20 0 CGADHM CC(C)CCCOc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001589597501 964000021 /nfs/dbraw/zinc/00/00/21/964000021.db2.gz IAFNXMVAGCONGM-UHFFFAOYSA-N -1 3 280.759 3.335 20 0 CGADHM CC(C)CCCCNc1cccc(F)c1-c1nnn[n-]1 ZINC001589593519 964001749 /nfs/dbraw/zinc/00/17/49/964001749.db2.gz NLZJIESTSIKDMP-UHFFFAOYSA-N -1 3 277.347 3.244 20 0 CGADHM CC(C)CCCCNc1cccc(F)c1-c1nn[n-]n1 ZINC001589593519 964001759 /nfs/dbraw/zinc/00/17/59/964001759.db2.gz NLZJIESTSIKDMP-UHFFFAOYSA-N -1 3 277.347 3.244 20 0 CGADHM CC(C)c1ccccc1CN[C@@H](C(=O)[O-])c1cccc(O)c1 ZINC001591994248 976629758 /nfs/dbraw/zinc/62/97/58/976629758.db2.gz FZCLBJYQYRPIQH-QGZVFWFLSA-N -1 3 299.370 3.431 20 0 CGADHM CC[C@@H](NCc1cnccc1C)c1ccc(C(=O)[O-])cc1 ZINC001595305888 980452870 /nfs/dbraw/zinc/45/28/70/980452870.db2.gz YENMUONSDYGHRI-MRXNPFEDSA-N -1 3 284.359 3.329 20 0 CGADHM CCCC[C@H](C(=O)[O-])N1CCC(C)=C(Br)C1 ZINC001595628913 981793215 /nfs/dbraw/zinc/79/32/15/981793215.db2.gz QCYOATSSPSJAEW-LLVKDONJSA-N -1 3 290.201 3.004 20 0 CGADHM CCN(Cc1cc(C)c(C(=O)[O-])[nH]1)Cc1ccccc1C ZINC001596355728 983821077 /nfs/dbraw/zinc/82/10/77/983821077.db2.gz AQRNZRWISGSPKS-UHFFFAOYSA-N -1 3 286.375 3.352 20 0 CGADHM CC(C)(/C=C\Cl)NCc1cc(C(=O)[O-])c2n1CCCC2 ZINC001590615290 990289055 /nfs/dbraw/zinc/28/90/55/990289055.db2.gz QPCMDHQRLNIKNP-SREVYHEPSA-N -1 3 296.798 3.143 20 0 CGADHM C[C@H](c1nc2ccccc2o1)N1CCC[C@](C)(C(=O)[O-])C1 ZINC001593734375 996324369 /nfs/dbraw/zinc/32/43/69/996324369.db2.gz TVKBEZSCKUPYIK-BZNIZROVSA-N -1 3 288.347 3.076 20 0 CGADHM CO[C@H]1CCN(Cc2cc(C(=O)[O-])ccc2Cl)[C@@H](C)C1 ZINC001599123396 997785167 /nfs/dbraw/zinc/78/51/67/997785167.db2.gz KZHOYWJEXDPTRP-GWCFXTLKSA-N -1 3 297.782 3.038 20 0 CGADHM CC12CC(C1)CN2[C@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001594084791 997996634 /nfs/dbraw/zinc/99/66/34/997996634.db2.gz QLPPQPHPLBBCJZ-PEUVISTOSA-N -1 3 299.292 3.315 20 0 CGADHM CCC[C@@H]1C[C@H](C(=O)Nc2ccc([O-])cc2F)CCO1 ZINC000124494081 187140464 /nfs/dbraw/zinc/14/04/64/187140464.db2.gz ZSCBOEGFXTUXJR-ZYHUDNBSSA-N -1 3 281.327 3.065 20 0 CGADHM CC(C)(CNC(=O)c1cccc([O-])c1)CC(F)(F)F ZINC000621231267 349478968 /nfs/dbraw/zinc/47/89/68/349478968.db2.gz SRMCPQGVQUTJEL-UHFFFAOYSA-N -1 3 275.270 3.101 20 0 CGADHM Cc1ccc(NC(=O)COC[C@@H](C)c2ccccc2)c([O-])c1 ZINC000650998674 398192067 /nfs/dbraw/zinc/19/20/67/398192067.db2.gz HNCJKIYYKGKKMR-CQSZACIVSA-N -1 3 299.370 3.459 20 0 CGADHM CC[C@@H]1C[C@@H](CC(=O)Nc2c(C)cccc2[O-])CCO1 ZINC000273050020 192030993 /nfs/dbraw/zinc/03/09/93/192030993.db2.gz FHFCAZSETKZFNQ-QWHCGFSZSA-N -1 3 277.364 3.234 20 0 CGADHM Cc1cccc([C@@H]2CCN(C(=O)c3ccccc3[O-])C2)c1 ZINC000273054681 192032084 /nfs/dbraw/zinc/03/20/84/192032084.db2.gz GTHJFHAWGIRREZ-OAHLLOKOSA-N -1 3 281.355 3.330 20 0 CGADHM CC(C)[C@@H](NC(=O)c1csc(=O)[n-]1)c1ccc(F)cc1 ZINC000337622420 214184560 /nfs/dbraw/zinc/18/45/60/214184560.db2.gz SBEIJYCFTFLDHH-GFCCVEGCSA-N -1 3 294.351 3.115 20 0 CGADHM O=C(Nc1cccc([O-])c1F)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000651602470 398257691 /nfs/dbraw/zinc/25/76/91/398257691.db2.gz QLFIXSNXAJJANQ-OUAUKWLOSA-N -1 3 261.296 3.072 20 0 CGADHM COc1c(F)cc(F)cc1[N-]C(=O)c1cc(C2CC2)no1 ZINC000337706098 214225915 /nfs/dbraw/zinc/22/59/15/214225915.db2.gz BJYVTFDWQYHKRP-UHFFFAOYSA-N -1 3 294.257 3.091 20 0 CGADHM CCCC[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cccs1 ZINC000590072180 346825392 /nfs/dbraw/zinc/82/53/92/346825392.db2.gz LQXCGZBGHYPWAP-NWDGAFQWSA-N -1 3 287.450 3.385 20 0 CGADHM CCN(CC1CC1)C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621866170 349598695 /nfs/dbraw/zinc/59/86/95/349598695.db2.gz LLXUKAVJJWGBKE-UHFFFAOYSA-N -1 3 287.281 3.283 20 0 CGADHM Cc1ccc(-c2nnc(NC(=O)[C@]3(C)CC=CCC3)[n-]2)o1 ZINC000621917288 349607204 /nfs/dbraw/zinc/60/72/04/349607204.db2.gz ROPJXNGUBWVRHU-OAHLLOKOSA-N -1 3 286.335 3.058 20 0 CGADHM Cc1ccc(-c2n[n-]c(NC(=O)[C@]3(C)CC=CCC3)n2)o1 ZINC000621917288 349607207 /nfs/dbraw/zinc/60/72/07/349607207.db2.gz ROPJXNGUBWVRHU-OAHLLOKOSA-N -1 3 286.335 3.058 20 0 CGADHM Cc1ccc(-c2nc(NC(=O)[C@]3(C)CC=CCC3)n[n-]2)o1 ZINC000621917288 349607209 /nfs/dbraw/zinc/60/72/09/349607209.db2.gz ROPJXNGUBWVRHU-OAHLLOKOSA-N -1 3 286.335 3.058 20 0 CGADHM CC[C@@H](CC(C)C)C(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000411287687 529454852 /nfs/dbraw/zinc/45/48/52/529454852.db2.gz BMYKYKLUQSWKES-JTQLQIEISA-N -1 3 276.340 3.076 20 0 CGADHM CC[C@@H](CC(C)C)C(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000411287687 529454855 /nfs/dbraw/zinc/45/48/55/529454855.db2.gz BMYKYKLUQSWKES-JTQLQIEISA-N -1 3 276.340 3.076 20 0 CGADHM CC[C@@H](CC(C)C)C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000411287687 529454857 /nfs/dbraw/zinc/45/48/57/529454857.db2.gz BMYKYKLUQSWKES-JTQLQIEISA-N -1 3 276.340 3.076 20 0 CGADHM Cc1cc(-c2nc(C(=O)Nc3ccccc3[O-])co2)ccn1 ZINC000622322409 349671941 /nfs/dbraw/zinc/67/19/41/349671941.db2.gz OLQQHBKNZJVOJD-UHFFFAOYSA-N -1 3 295.298 3.003 20 0 CGADHM CCN=c1[n-]c(C(=O)N[C@H](C)CC2CCCCC2)cs1 ZINC000622563515 349686617 /nfs/dbraw/zinc/68/66/17/349686617.db2.gz IWUGLIDIUUGPPF-LLVKDONJSA-N -1 3 295.452 3.086 20 0 CGADHM CCc1ccc(C(=O)NCc2cscc2C)c([O-])c1 ZINC000622563418 349686676 /nfs/dbraw/zinc/68/66/76/349686676.db2.gz DEJNOEGPSWLDAO-UHFFFAOYSA-N -1 3 275.373 3.255 20 0 CGADHM Cc1ccc(C(=O)Nc2cnc3c(c2)CCCC3)c([O-])c1 ZINC000622501906 349683918 /nfs/dbraw/zinc/68/39/18/349683918.db2.gz AKZZEZBPJDJDEK-UHFFFAOYSA-N -1 3 282.343 3.227 20 0 CGADHM CCOC1(CNC(=O)c2ccc(CC)cc2[O-])CCCC1 ZINC000622619119 349689547 /nfs/dbraw/zinc/68/95/47/349689547.db2.gz FRYNKSHKGIUNQO-UHFFFAOYSA-N -1 3 291.391 3.034 20 0 CGADHM Cc1cc(CCNC(=O)c2ccccc2[O-])ccc1Cl ZINC000622607521 349689849 /nfs/dbraw/zinc/68/98/49/349689849.db2.gz AUIRFKGWNFDEAL-UHFFFAOYSA-N -1 3 289.762 3.327 20 0 CGADHM Cc1ccc2c(Cl)c(C(=O)[N-]c3nc[nH]n3)sc2c1 ZINC000591143901 346903833 /nfs/dbraw/zinc/90/38/33/346903833.db2.gz LNNCBKJCAZMQMI-UHFFFAOYSA-N -1 3 292.751 3.234 20 0 CGADHM CCc1ccccc1-c1noc(-c2ccc(C(=O)OC)[n-]2)n1 ZINC000426441905 529558105 /nfs/dbraw/zinc/55/81/05/529558105.db2.gz ZIJSZRAKANBSLG-UHFFFAOYSA-N -1 3 297.314 3.081 20 0 CGADHM CCc1ccc(C(=O)N[C@H](CC)c2nccs2)c([O-])c1 ZINC000191729219 529608399 /nfs/dbraw/zinc/60/83/99/529608399.db2.gz SQVWUWABKWGBGW-GFCCVEGCSA-N -1 3 290.388 3.292 20 0 CGADHM CCc1ccc(C(=O)N2CC[C@H](c3ccco3)C2)c([O-])c1 ZINC000364993046 529600398 /nfs/dbraw/zinc/60/03/98/529600398.db2.gz WAAHWRHMILTMMG-ZDUSSCGKSA-N -1 3 285.343 3.177 20 0 CGADHM O=C(N[C@H](C(F)F)C1CCCCC1)c1cccc([O-])c1 ZINC000623045685 349754831 /nfs/dbraw/zinc/75/48/31/349754831.db2.gz YYRQXYXXWQRAFY-ZDUSSCGKSA-N -1 3 283.318 3.336 20 0 CGADHM CC[C@H](NCc1cc(=O)[n-]c(C2CC2)n1)c1ccccc1 ZINC000411885761 529624304 /nfs/dbraw/zinc/62/43/04/529624304.db2.gz JODYVOCROQFOIU-HNNXBMFYSA-N -1 3 283.375 3.301 20 0 CGADHM CCc1ccc(CNC[C@@]2(CC(=O)[O-])CC[C@@H](C)C2)o1 ZINC000426637932 529652592 /nfs/dbraw/zinc/65/25/92/529652592.db2.gz HLGZGUOSPBTOFC-WBMJQRKESA-N -1 3 279.380 3.213 20 0 CGADHM CCc1csc([N-]C(=O)c2cc([C@H](C)CC)no2)n1 ZINC000356160571 529691290 /nfs/dbraw/zinc/69/12/90/529691290.db2.gz HYSLFFDLOCIGRF-MRVPVSSYSA-N -1 3 279.365 3.459 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CCC[C@@H](C)CC2)c1 ZINC000623487351 349818586 /nfs/dbraw/zinc/81/85/86/349818586.db2.gz OLCYGKZUPLGGHQ-GFCCVEGCSA-N -1 3 261.365 3.217 20 0 CGADHM CCc1cc(=O)[n-]c(CSCC2=CCCC2)n1 ZINC000592453814 346988487 /nfs/dbraw/zinc/98/84/87/346988487.db2.gz ZFGCUKOXPJFRMG-UHFFFAOYSA-N -1 3 250.367 3.088 20 0 CGADHM CN(Cc1cc2ccccc2o1)C(=O)c1ccccc1[O-] ZINC000173909204 529980990 /nfs/dbraw/zinc/98/09/90/529980990.db2.gz LDHSQEZRZUQIDA-UHFFFAOYSA-N -1 3 281.311 3.411 20 0 CGADHM Cc1cccc([O-])c1C(=O)N(C)[C@H]1CCC[C@H](C)C1 ZINC000623922686 349916671 /nfs/dbraw/zinc/91/66/71/349916671.db2.gz GTSXLIJNMBNTHT-AAEUAGOBSA-N -1 3 261.365 3.351 20 0 CGADHM Cc1cc(CN2CC[C@@H](c3ccccc3)C2)oc1C(=O)[O-] ZINC000050599799 345084208 /nfs/dbraw/zinc/08/42/08/345084208.db2.gz GEJVBJWLEWSHAK-CQSZACIVSA-N -1 3 285.343 3.276 20 0 CGADHM O=C(NCCC1CCCCC1)c1cc(=O)c2ccccc2[n-]1 ZINC000053465716 345121779 /nfs/dbraw/zinc/12/17/79/345121779.db2.gz WXZSEDXRLBABBP-UHFFFAOYSA-N -1 3 298.386 3.228 20 0 CGADHM CCc1ccc2nc([N-]C(=O)c3ccon3)sc2c1 ZINC000067287768 345318486 /nfs/dbraw/zinc/31/84/86/345318486.db2.gz SADNHXJNOOVJCS-UHFFFAOYSA-N -1 3 273.317 3.099 20 0 CGADHM CC(C)CN(C(=O)c1cc(=O)c2ccccc2[n-]1)C(C)C ZINC000066645886 345302319 /nfs/dbraw/zinc/30/23/19/345302319.db2.gz HCFMQMNGCXSTQR-UHFFFAOYSA-N -1 3 286.375 3.035 20 0 CGADHM c1ccc(OCCSc2n[n-]c(-c3ccccn3)n2)cc1 ZINC000117113847 232183638 /nfs/dbraw/zinc/18/36/38/232183638.db2.gz FBOIIBNKWAXABG-UHFFFAOYSA-N -1 3 298.371 3.038 20 0 CGADHM Cc1cc(CN2CCCCC[C@H]2C)oc1C(=O)[O-] ZINC000070410249 345391406 /nfs/dbraw/zinc/39/14/06/345391406.db2.gz PLATWSNXZNDTDK-LLVKDONJSA-N -1 3 251.326 3.051 20 0 CGADHM COC(=O)c1ccc(C(=O)Nc2ccc(C3CCC3)cc2)[n-]1 ZINC000351639822 219157958 /nfs/dbraw/zinc/15/79/58/219157958.db2.gz FGNBLZFKZROBPZ-UHFFFAOYSA-N -1 3 298.342 3.321 20 0 CGADHM Cc1cc(C(=O)[N-]c2cc(C(F)(F)F)ccc2F)on1 ZINC000076156382 345536551 /nfs/dbraw/zinc/53/65/51/345536551.db2.gz PLXSDPRDCSYMDN-UHFFFAOYSA-N -1 3 288.200 3.393 20 0 CGADHM [O-]c1ccc(CNc2ncnc3cccc(F)c32)cc1F ZINC000078020309 345588881 /nfs/dbraw/zinc/58/88/81/345588881.db2.gz AGXUOTPGIYZXER-UHFFFAOYSA-N -1 3 287.269 3.226 20 0 CGADHM C[C@@H](c1ccc(C(=O)[O-])o1)N(C)CCc1ccccc1 ZINC000091782784 345823148 /nfs/dbraw/zinc/82/31/48/345823148.db2.gz GOUMDPRKRCSXMN-LBPRGKRZSA-N -1 3 273.332 3.213 20 0 CGADHM Cc1cccc(CN(C)[C@@H](C)c2ccc(C(=O)[O-])o2)c1 ZINC000091780902 345823556 /nfs/dbraw/zinc/82/35/56/345823556.db2.gz DXKCWICVZMPMKI-LBPRGKRZSA-N -1 3 273.332 3.479 20 0 CGADHM CCc1onc(C)c1NC(=O)c1cccc(CC)c1[O-] ZINC000091696589 345821378 /nfs/dbraw/zinc/82/13/78/345821378.db2.gz NGQIMYCCFARMKB-UHFFFAOYSA-N -1 3 274.320 3.066 20 0 CGADHM Cc1cc2c(ncnc2NCc2ccc([O-])c(F)c2)s1 ZINC000090094331 345782724 /nfs/dbraw/zinc/78/27/24/345782724.db2.gz ATVIPXSRBNHANZ-UHFFFAOYSA-N -1 3 289.335 3.457 20 0 CGADHM C[C@@H]1CC[C@@H](C)N1C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000092599695 345846485 /nfs/dbraw/zinc/84/64/85/345846485.db2.gz MECFZGXLNFKIND-GHMZBOCLSA-N -1 3 289.375 3.119 20 0 CGADHM Cc1ccc([O-])c(CN[C@@H]2CCCc3ccc(F)cc32)n1 ZINC000093115710 345870129 /nfs/dbraw/zinc/87/01/29/345870129.db2.gz UBAFKLSPRFXCGS-OAHLLOKOSA-N -1 3 286.350 3.402 20 0 CGADHM Cc1cc(CN(C)CCc2cccs2)oc1C(=O)[O-] ZINC000093268899 345873285 /nfs/dbraw/zinc/87/32/85/345873285.db2.gz ITXXZOGVOPOKSC-UHFFFAOYSA-N -1 3 279.361 3.022 20 0 CGADHM CN(CCc1cccs1)Cc1ccsc1C(=O)[O-] ZINC000093268931 345873768 /nfs/dbraw/zinc/87/37/68/345873768.db2.gz JUEZKMQMKXPUOG-UHFFFAOYSA-N -1 3 281.402 3.182 20 0 CGADHM O=C([N-]c1nc2cc(Cl)ccc2s1)c1cocn1 ZINC000105367014 345927576 /nfs/dbraw/zinc/92/75/76/345927576.db2.gz VVWVINOUPHAMAN-UHFFFAOYSA-N -1 3 279.708 3.190 20 0 CGADHM O=C(Nc1cccc([O-])c1F)c1cc(-c2ccccc2)no1 ZINC000129301294 346048221 /nfs/dbraw/zinc/04/82/21/346048221.db2.gz KSZUQIYSKIIWFD-UHFFFAOYSA-N -1 3 298.273 3.439 20 0 CGADHM O=C(Nc1ncccc1[O-])[C@@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000149466807 346131220 /nfs/dbraw/zinc/13/12/20/346131220.db2.gz LWSNBJAXUIEJCS-VXGBXAGGSA-N -1 3 288.734 3.183 20 0 CGADHM CCc1ccc([C@@H](NCc2ccc(F)cc2)C(=O)[O-])cc1 ZINC000211619047 346285949 /nfs/dbraw/zinc/28/59/49/346285949.db2.gz MLHHFQUFTPIWEN-MRXNPFEDSA-N -1 3 287.334 3.304 20 0 CGADHM CC(C)C[C@H](C)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000227031652 346307828 /nfs/dbraw/zinc/30/78/28/346307828.db2.gz NGNMAQQUKCXDFM-WFASDCNBSA-N -1 3 261.365 3.105 20 0 CGADHM CN(CCc1ccccc1C(=O)[O-])Cc1cccs1 ZINC000228515066 346314595 /nfs/dbraw/zinc/31/45/95/346314595.db2.gz DCTHJQSTGPRAAZ-UHFFFAOYSA-N -1 3 275.373 3.121 20 0 CGADHM Cc1cc([C@@H](C)NC(=O)c2ccc(O)cc2[O-])c(C)s1 ZINC000193247153 232489522 /nfs/dbraw/zinc/48/95/22/232489522.db2.gz QNRUWGQJZAJYED-SECBINFHSA-N -1 3 291.372 3.267 20 0 CGADHM CSCC1(CC(=O)Nc2ccc([O-])cc2F)CC1 ZINC000593591100 347093206 /nfs/dbraw/zinc/09/32/06/347093206.db2.gz SCRUCGTVXBNWSJ-UHFFFAOYSA-N -1 3 269.341 3.003 20 0 CGADHM Cc1ccc(CNCCC[C@H](C)C(=O)[O-])c(Cl)c1 ZINC000310889836 346472258 /nfs/dbraw/zinc/47/22/58/346472258.db2.gz UDWLIFCPABANAE-NSHDSACASA-N -1 3 269.772 3.239 20 0 CGADHM CCc1ccc(CN2Cc3ccccc3C[C@H]2C(=O)[O-])cc1 ZINC000315779556 346484191 /nfs/dbraw/zinc/48/41/91/346484191.db2.gz WQYKPVAUYCVKIK-SFHVURJKSA-N -1 3 295.382 3.261 20 0 CGADHM O=c1cc(Cl)[n-]c2ccc(Br)cc12 ZINC000585681262 346726448 /nfs/dbraw/zinc/72/64/48/346726448.db2.gz DMDJDESTBGPTNL-UHFFFAOYSA-N -1 3 258.502 3.356 20 0 CGADHM CCOc1cccc(NC(=O)c2cc(C(F)(F)F)n[n-]2)c1 ZINC000339265508 215051889 /nfs/dbraw/zinc/05/18/89/215051889.db2.gz UBLGDIQWFXLDGO-UHFFFAOYSA-N -1 3 299.252 3.080 20 0 CGADHM CCOc1cccc(NC(=O)c2cc(C(F)(F)F)[n-]n2)c1 ZINC000339265508 215051891 /nfs/dbraw/zinc/05/18/91/215051891.db2.gz UBLGDIQWFXLDGO-UHFFFAOYSA-N -1 3 299.252 3.080 20 0 CGADHM O=C(CSCC(F)(F)F)Nc1ccc([O-])cc1Cl ZINC000597856700 347595825 /nfs/dbraw/zinc/59/58/25/347595825.db2.gz IHKYKZCPUVLRSY-UHFFFAOYSA-N -1 3 299.701 3.280 20 0 CGADHM CSC1CCN(Cc2ccc(C(=O)[O-])c(Cl)c2)CC1 ZINC000601963036 347930163 /nfs/dbraw/zinc/93/01/63/347930163.db2.gz JFWJFECOWJYRIR-UHFFFAOYSA-N -1 3 299.823 3.366 20 0 CGADHM COCCC1(NCc2cccc([O-])c2Cl)CCC1 ZINC000339382804 215135979 /nfs/dbraw/zinc/13/59/79/215135979.db2.gz SZFOGKJVLNVOBT-UHFFFAOYSA-N -1 3 269.772 3.094 20 0 CGADHM COc1cccc(CN(CCC(=O)[O-])Cc2ccccc2)c1 ZINC000604773021 348133377 /nfs/dbraw/zinc/13/33/77/348133377.db2.gz AOQRVEAHBVTDLN-UHFFFAOYSA-N -1 3 299.370 3.172 20 0 CGADHM COc1ccc([O-])c(C(=O)NC[C@@H](C)c2ccc(C)cc2)c1 ZINC000606241032 348173077 /nfs/dbraw/zinc/17/30/77/348173077.db2.gz QHWIFVPXCUENSU-CYBMUJFWSA-N -1 3 299.370 3.243 20 0 CGADHM [O-]c1ccc(Br)c(CN2CCC=C(F)C2)c1 ZINC000357211952 232915544 /nfs/dbraw/zinc/91/55/44/232915544.db2.gz HWFRUIFTMACUPV-UHFFFAOYSA-N -1 3 286.144 3.214 20 0 CGADHM CCC1([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)CCC1 ZINC000339452950 215180375 /nfs/dbraw/zinc/18/03/75/215180375.db2.gz OTUAIAAHJODFHK-UHFFFAOYSA-N -1 3 291.775 3.090 20 0 CGADHM CCn1cc(NC(=O)c2cc3cc(Cl)sc3[n-]2)cn1 ZINC000357773193 233001709 /nfs/dbraw/zinc/00/17/09/233001709.db2.gz OJDUMDKFUWWLJJ-UHFFFAOYSA-N -1 3 294.767 3.352 20 0 CGADHM Cc1ccc(CN(C(=O)c2cc(C)ccc2[O-])C2CC2)o1 ZINC000612550027 348526682 /nfs/dbraw/zinc/52/66/82/348526682.db2.gz XTYVDNOIQINLPH-UHFFFAOYSA-N -1 3 285.343 3.407 20 0 CGADHM Cc1cccc([O-])c1NC(=O)[C@H](C)Cc1ccco1 ZINC000613207923 348575125 /nfs/dbraw/zinc/57/51/25/348575125.db2.gz RRHMQTORQJFCBY-LLVKDONJSA-N -1 3 259.305 3.111 20 0 CGADHM Cc1ccc([O-])c(NC(=O)C[C@@]23CCCC[C@@H]2C3(F)F)n1 ZINC000614165374 348653769 /nfs/dbraw/zinc/65/37/69/348653769.db2.gz XMHHOIVVSFKIQA-FZMZJTMJSA-N -1 3 296.317 3.250 20 0 CGADHM CSc1ccc([O-])c(C(=O)N2CC(C3CCCC3)C2)c1 ZINC000614274760 348664028 /nfs/dbraw/zinc/66/40/28/348664028.db2.gz BWKHUBORLDBGJG-UHFFFAOYSA-N -1 3 291.416 3.376 20 0 CGADHM O=C([N-]c1cccc(C2CC2)n1)c1ncoc1C(F)(F)F ZINC000615289466 348729734 /nfs/dbraw/zinc/72/97/34/348729734.db2.gz GCGXXQXUZFMXDO-UHFFFAOYSA-N -1 3 297.236 3.218 20 0 CGADHM CC(C)c1ccccc1N(C)C(=O)Cc1cncc([O-])c1 ZINC000614953854 348702533 /nfs/dbraw/zinc/70/25/33/348702533.db2.gz VUFSVUJCVFUWSP-UHFFFAOYSA-N -1 3 284.359 3.116 20 0 CGADHM O=C(NCc1ccc([O-])c2ncccc12)C1=CCCCCC1 ZINC000616022155 348782477 /nfs/dbraw/zinc/78/24/77/348782477.db2.gz DCOBXADLVBXRDL-UHFFFAOYSA-N -1 3 296.370 3.447 20 0 CGADHM CC(C)=CCC[C@H](C)NC(=O)c1ccc2[nH][n-]c(=O)c2c1 ZINC000615697695 348759878 /nfs/dbraw/zinc/75/98/78/348759878.db2.gz ICZRJADGDGOYHL-NSHDSACASA-N -1 3 287.363 3.133 20 0 CGADHM Cc1ccccc1CN(C)Cc1cc([O-])cc(F)c1 ZINC000351997245 219281671 /nfs/dbraw/zinc/28/16/71/219281671.db2.gz SNNVQOLOZCQFHN-UHFFFAOYSA-N -1 3 259.324 3.472 20 0 CGADHM O=C(Nc1ccc([O-])cc1Cl)C1(CCF)CC1 ZINC000616939595 348884878 /nfs/dbraw/zinc/88/48/78/348884878.db2.gz HWZPONMLTOLUDJ-UHFFFAOYSA-N -1 3 257.692 3.124 20 0 CGADHM CC[C@H]1C[C@@H](C(=O)Nc2ccc([O-])cc2Cl)CCO1 ZINC000616941301 348885149 /nfs/dbraw/zinc/88/51/49/348885149.db2.gz ZDBDZODPIOECCA-ONGXEEELSA-N -1 3 283.755 3.189 20 0 CGADHM [O-]c1ccc(F)c(CNCc2ccccc2F)c1F ZINC000352002459 219284417 /nfs/dbraw/zinc/28/44/17/219284417.db2.gz HIQVZGBMUWKVBO-UHFFFAOYSA-N -1 3 267.250 3.099 20 0 CGADHM Cc1ccc2c(c1)CN(C(=O)c1cc(C)ccc1[O-])CC2 ZINC000617602108 348980744 /nfs/dbraw/zinc/98/07/44/348980744.db2.gz HZOJQUBUTQVFJF-UHFFFAOYSA-N -1 3 281.355 3.208 20 0 CGADHM O=c1cc(C=Cc2cccc(F)c2)nc(-c2ccncc2)[n-]1 ZINC000352009789 219288780 /nfs/dbraw/zinc/28/87/80/219288780.db2.gz YZWGZEFSLONEQE-PLNGDYQASA-N -1 3 293.301 3.141 20 0 CGADHM CC(C)(F)CCNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000618411127 349080030 /nfs/dbraw/zinc/08/00/30/349080030.db2.gz WMFNHYSMWVAOAI-UHFFFAOYSA-N -1 3 285.334 3.108 20 0 CGADHM COc1cc(C=Cc2cc(=O)[n-]c(C3CC3)n2)cc(OC)c1 ZINC000352021479 219293548 /nfs/dbraw/zinc/29/35/48/219293548.db2.gz PPZSWNDCDSKZLY-UTCJRWHESA-N -1 3 298.342 3.247 20 0 CGADHM Cc1ccc(C(=O)Nc2ccc3c(c2)CCOC3)c([O-])c1C ZINC000618844026 349161067 /nfs/dbraw/zinc/16/10/67/349161067.db2.gz PIXSCNYDHKOSCA-UHFFFAOYSA-N -1 3 297.354 3.334 20 0 CGADHM Cc1cccc([O-])c1C(=O)Nc1nc(C2CC2)cs1 ZINC000624530305 350060542 /nfs/dbraw/zinc/06/05/42/350060542.db2.gz IAPAXTWDLMZRIK-UHFFFAOYSA-N -1 3 274.345 3.287 20 0 CGADHM CCC[C@@H](NC(=O)c1c(C)cccc1[O-])c1ccccn1 ZINC000625264668 350149261 /nfs/dbraw/zinc/14/92/61/350149261.db2.gz JYRIDVXTFOVVEF-CQSZACIVSA-N -1 3 284.359 3.367 20 0 CGADHM CC1(CC(=O)Nc2ccc([O-])cc2F)CCCC1 ZINC000515556107 535109864 /nfs/dbraw/zinc/10/98/64/535109864.db2.gz FMRGSEGSQNPQGR-UHFFFAOYSA-N -1 3 251.301 3.440 20 0 CGADHM Cc1ccsc1[C@H](CO)NCc1cc([O-])ccc1Cl ZINC000625337096 350160538 /nfs/dbraw/zinc/16/05/38/350160538.db2.gz XUXCBHCVNGONOH-ZDUSSCGKSA-N -1 3 297.807 3.239 20 0 CGADHM C[C@@H]1CN(Cc2cc([O-])ccc2Cl)[C@H](C)[C@@H](C)O1 ZINC000625360656 350163143 /nfs/dbraw/zinc/16/31/43/350163143.db2.gz GFYZKJOWIWNMBX-GMTAPVOTSA-N -1 3 269.772 3.043 20 0 CGADHM C[C@H]1CN(Cc2cc([O-])ccc2Cl)C[C@@H](C2CC2)O1 ZINC000625380983 350165894 /nfs/dbraw/zinc/16/58/94/350165894.db2.gz RTLNUBJNPPCPIO-BONVTDFDSA-N -1 3 281.783 3.045 20 0 CGADHM CN(CCc1ccccn1)Cc1cc([O-])ccc1Cl ZINC000625269417 350150791 /nfs/dbraw/zinc/15/07/91/350150791.db2.gz JDRGWISWCDJKHW-UHFFFAOYSA-N -1 3 276.767 3.115 20 0 CGADHM Cc1cccc([O-])c1C(=O)N[C@@H](C)CCCc1cccnc1 ZINC000627714734 350377216 /nfs/dbraw/zinc/37/72/16/350377216.db2.gz YPEBXQXLOADPQB-AWEZNQCLSA-N -1 3 298.386 3.237 20 0 CGADHM CC[C@H](CNC(=O)c1c(C)cccc1[O-])CC(F)(F)F ZINC000627750321 350379894 /nfs/dbraw/zinc/37/98/94/350379894.db2.gz GRWZVDRGUTVJHN-JTQLQIEISA-N -1 3 289.297 3.409 20 0 CGADHM C[C@@H]1CN([C@@H](C(=O)[O-])c2ccsc2)C[C@@H](C)C1(F)F ZINC000629364896 350679166 /nfs/dbraw/zinc/67/91/66/350679166.db2.gz QZAZGQFIVLODIB-FXPVBKGRSA-N -1 3 289.347 3.097 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CC(Cc3cccs3)C2)c1 ZINC000629622377 350721500 /nfs/dbraw/zinc/72/15/00/350721500.db2.gz CQBPZXWRNAGEIN-UHFFFAOYSA-N -1 3 287.384 3.077 20 0 CGADHM Cc1cc(C(=O)N2CC(Cc3cccs3)C2)ccc1[O-] ZINC000629626165 350722242 /nfs/dbraw/zinc/72/22/42/350722242.db2.gz XJPYLJIFERBGCK-UHFFFAOYSA-N -1 3 287.384 3.077 20 0 CGADHM C[C@H]1CC[C@H](c2nc(=O)c3c4c(sc3[n-]2)CCC4)O1 ZINC000630386646 350831177 /nfs/dbraw/zinc/83/11/77/350831177.db2.gz YHHOEWZYAVROLT-IONNQARKSA-N -1 3 276.361 3.126 20 0 CGADHM Cc1ccc(C(=O)[N-]c2nnc(C3CC3)s2)c(F)c1F ZINC000630774994 350885625 /nfs/dbraw/zinc/88/56/25/350885625.db2.gz UDLAAQZNAAEFJT-UHFFFAOYSA-N -1 3 295.314 3.254 20 0 CGADHM Cc1ccc(C(=O)N2CCC[C@@H]3CCC[C@@H]32)c([O-])c1C ZINC000271421894 191127726 /nfs/dbraw/zinc/12/77/26/191127726.db2.gz RGJMAQUKLSYANN-ZFWWWQNUSA-N -1 3 273.376 3.414 20 0 CGADHM [O-]c1ccc(-c2noc(C3(C(F)F)CCC3)n2)cc1 ZINC000632098122 351167359 /nfs/dbraw/zinc/16/73/59/351167359.db2.gz TYLKTDMOWVSDAE-UHFFFAOYSA-N -1 3 266.247 3.129 20 0 CGADHM Cc1conc1C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000632886194 351227053 /nfs/dbraw/zinc/22/70/53/351227053.db2.gz OBHGTPHIRAJLFE-UHFFFAOYSA-N -1 3 274.320 3.238 20 0 CGADHM Cc1ccc(C(=O)N2CC(c3ccccc3)C2)c([O-])c1C ZINC000633810189 351381028 /nfs/dbraw/zinc/38/10/28/351381028.db2.gz SXUVZYNSEKJRBA-UHFFFAOYSA-N -1 3 281.355 3.249 20 0 CGADHM CCc1[n-]n(-c2cccc(OC)c2)c(=O)c1C(C)C ZINC000634585878 351525507 /nfs/dbraw/zinc/52/55/07/351525507.db2.gz USLYOSCKSPDNDZ-CQSZACIVSA-N -1 3 260.337 3.080 20 0 CGADHM C[C@@H](Cn1ccc2ccccc21)C(=O)[N-]OC/C=C/Cl ZINC000291440908 198023077 /nfs/dbraw/zinc/02/30/77/198023077.db2.gz BAWZMVNZGYSMBA-GXWOQWCDSA-N -1 3 292.766 3.078 20 0 CGADHM CC(C)c1c(-c2ccccc2)[n-]n([C@@H]2CCSC2)c1=O ZINC000634628435 351551270 /nfs/dbraw/zinc/55/12/70/351551270.db2.gz XMKMZAGTBHBKKJ-KGLIPLIRSA-N -1 3 288.416 3.011 20 0 CGADHM Cc1ncc([C@H](C)NCc2ccc(C(=O)[O-])cc2)s1 ZINC000635317831 351650680 /nfs/dbraw/zinc/65/06/80/351650680.db2.gz WRSTTYOCKNEARU-VIFPVBQESA-N -1 3 276.361 3.001 20 0 CGADHM CCc1cc(C(=O)Nc2ccnn2[C@H](C)C2CC2)ccc1[O-] ZINC000291498110 198037526 /nfs/dbraw/zinc/03/75/26/198037526.db2.gz MIWFILXHTZUPBW-LLVKDONJSA-N -1 3 299.374 3.374 20 0 CGADHM O=C([N-]c1cccc(C2CC2)n1)c1ocnc1C(F)(F)F ZINC000635961381 351705682 /nfs/dbraw/zinc/70/56/82/351705682.db2.gz DZFMDKZVKDWQQU-UHFFFAOYSA-N -1 3 297.236 3.218 20 0 CGADHM Cc1cc(C2(C(=O)Nc3ccc([O-])cc3Cl)CC2)on1 ZINC000636167941 351727394 /nfs/dbraw/zinc/72/73/94/351727394.db2.gz JTWSBEWPTBQGMX-UHFFFAOYSA-N -1 3 292.722 3.012 20 0 CGADHM C[C@]1(C2CCCCC2)CCN1C(=O)c1cccc2[n-]nnc21 ZINC000636386145 351748235 /nfs/dbraw/zinc/74/82/35/351748235.db2.gz YAULXMMFCCHDEY-QGZVFWFLSA-N -1 3 298.390 3.143 20 0 CGADHM C[C@]1(C2CCCCC2)CCN1C(=O)c1cccc2nn[n-]c21 ZINC000636386145 351748237 /nfs/dbraw/zinc/74/82/37/351748237.db2.gz YAULXMMFCCHDEY-QGZVFWFLSA-N -1 3 298.390 3.143 20 0 CGADHM C[C@]1(C2CCCCC2)CCN1C(=O)c1cccc2n[n-]nc21 ZINC000636386145 351748243 /nfs/dbraw/zinc/74/82/43/351748243.db2.gz YAULXMMFCCHDEY-QGZVFWFLSA-N -1 3 298.390 3.143 20 0 CGADHM C[C@@H](CCC(=O)[N-]OC/C=C/Cl)c1ccccc1 ZINC000291779110 198088692 /nfs/dbraw/zinc/08/86/92/198088692.db2.gz JIWIPTUGWBPNKP-DJTWPOEFSA-N -1 3 267.756 3.371 20 0 CGADHM CCc1cc(C(=O)Nc2c(C)nn(CC)c2C)ccc1[O-] ZINC000291886718 198096182 /nfs/dbraw/zinc/09/61/82/198096182.db2.gz IRGMYNFQSHJNKF-UHFFFAOYSA-N -1 3 287.363 3.040 20 0 CGADHM CCn1cc(CC(=O)[N-]OC/C=C/Cl)c2ccccc21 ZINC000291977783 198122893 /nfs/dbraw/zinc/12/28/93/198122893.db2.gz YWGYXHPHCOVMEF-VMPITWQZSA-N -1 3 292.766 3.004 20 0 CGADHM C[C@H](CCOCc1ccccc1)NC(=O)c1cccc([O-])c1 ZINC000292030340 198139176 /nfs/dbraw/zinc/13/91/76/198139176.db2.gz YEHQCWSHRQRENL-CQSZACIVSA-N -1 3 299.370 3.117 20 0 CGADHM [O-]c1ccccc1-c1nc(CSc2ccccn2)no1 ZINC000365080038 234081654 /nfs/dbraw/zinc/08/16/54/234081654.db2.gz ICNKRLCPUFDAFV-UHFFFAOYSA-N -1 3 285.328 3.130 20 0 CGADHM O=C([N-]c1nnc(-c2ccsc2)s1)c1ccco1 ZINC000048706407 137904545 /nfs/dbraw/zinc/90/45/45/137904545.db2.gz WZIOXLCUCLVCLO-UHFFFAOYSA-N -1 3 277.330 3.112 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)CCCc1cccs1 ZINC000292115193 198168824 /nfs/dbraw/zinc/16/88/24/198168824.db2.gz NVXADBZCYAERNG-LLVKDONJSA-N -1 3 255.383 3.165 20 0 CGADHM O=C(c1cccc([O-])c1)N1Cc2cccc(Cl)c2C1 ZINC000366215845 234156714 /nfs/dbraw/zinc/15/67/14/234156714.db2.gz KXBHNJJMJJDJIE-UHFFFAOYSA-N -1 3 273.719 3.202 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)Cc1c[nH]c2c1cccc2C ZINC000292194252 198197694 /nfs/dbraw/zinc/19/76/94/198197694.db2.gz XAAWZBLUCGOGJB-LLVKDONJSA-N -1 3 274.364 3.113 20 0 CGADHM CC[C@](C)(NC(=O)c1cccc(C)c1[O-])c1nccs1 ZINC000154158384 188125799 /nfs/dbraw/zinc/12/57/99/188125799.db2.gz QRBPTQKEGTZZCC-HNNXBMFYSA-N -1 3 290.388 3.212 20 0 CGADHM Cc1ccc(Cl)cc1NC([O-])=NO[C@H]1CCCCO1 ZINC000155539946 188212767 /nfs/dbraw/zinc/21/27/67/188212767.db2.gz VVAPUUQZNSXZSH-LBPRGKRZSA-N -1 3 284.743 3.228 20 0 CGADHM Cc1ccc(Cl)cc1NC(=O)[N-]O[C@H]1CCCCO1 ZINC000155539946 188212768 /nfs/dbraw/zinc/21/27/68/188212768.db2.gz VVAPUUQZNSXZSH-LBPRGKRZSA-N -1 3 284.743 3.228 20 0 CGADHM C[C@@H](C(=O)Nc1ccc([O-])c(Cl)c1)N1[C@H](C)CC[C@@H]1C ZINC000156583703 188271128 /nfs/dbraw/zinc/27/11/28/188271128.db2.gz IMEXLISATCDNGZ-AXFHLTTASA-N -1 3 296.798 3.245 20 0 CGADHM CCOc1cccc(NC([O-])=NOCCC(F)(F)F)c1 ZINC000156644521 188274529 /nfs/dbraw/zinc/27/45/29/188274529.db2.gz BIOUWRIULHOVMY-UHFFFAOYSA-N -1 3 292.257 3.091 20 0 CGADHM CCOc1cccc(NC(=O)[N-]OCCC(F)(F)F)c1 ZINC000156644521 188274530 /nfs/dbraw/zinc/27/45/30/188274530.db2.gz BIOUWRIULHOVMY-UHFFFAOYSA-N -1 3 292.257 3.091 20 0 CGADHM [O-]C(=NOCCC(F)(F)F)Nc1cccc2[nH]ccc21 ZINC000157267874 188307336 /nfs/dbraw/zinc/30/73/36/188307336.db2.gz XEDJNLXVIUYTSG-UHFFFAOYSA-N -1 3 287.241 3.173 20 0 CGADHM O=C([N-]OCCC(F)(F)F)Nc1cccc2[nH]ccc21 ZINC000157267874 188307338 /nfs/dbraw/zinc/30/73/38/188307338.db2.gz XEDJNLXVIUYTSG-UHFFFAOYSA-N -1 3 287.241 3.173 20 0 CGADHM CC[C@@H](C)Oc1cccc(NC(=O)[N-]OCC2CC2)c1 ZINC000292556586 198332172 /nfs/dbraw/zinc/33/21/72/198332172.db2.gz HTGYHULTJUFLMZ-LLVKDONJSA-N -1 3 278.352 3.327 20 0 CGADHM COc1ccc(C)cc1[C@@H](C)[N-]c1nnc(C(F)F)o1 ZINC000292614677 198352109 /nfs/dbraw/zinc/35/21/09/198352109.db2.gz XADNNGPNOYRMBX-MRVPVSSYSA-N -1 3 283.278 3.497 20 0 CGADHM Cc1ccsc1[C@H]1C[C@H]1C(=O)[N-]OCCC(F)(F)F ZINC000162635461 188582685 /nfs/dbraw/zinc/58/26/85/188582685.db2.gz GWXAWYDKTXQHLL-DTWKUNHWSA-N -1 3 293.310 3.160 20 0 CGADHM CCOc1ccccc1NC([O-])=NOC1CCCC1 ZINC000271848182 191364941 /nfs/dbraw/zinc/36/49/41/191364941.db2.gz VZPZUQVAFPFSDQ-UHFFFAOYSA-N -1 3 264.325 3.081 20 0 CGADHM CCOc1ccccc1NC(=O)[N-]OC1CCCC1 ZINC000271848182 191364943 /nfs/dbraw/zinc/36/49/43/191364943.db2.gz VZPZUQVAFPFSDQ-UHFFFAOYSA-N -1 3 264.325 3.081 20 0 CGADHM O=c1cc(CSCc2ccccc2)nc(C2CC2)[n-]1 ZINC000412973682 235232436 /nfs/dbraw/zinc/23/24/36/235232436.db2.gz ASDGRTDZNPXFFB-UHFFFAOYSA-N -1 3 272.373 3.493 20 0 CGADHM CCC[C@H]1CCCN(C(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC000336348974 213197340 /nfs/dbraw/zinc/19/73/40/213197340.db2.gz RMGACQQEFYBKBX-ZDUSSCGKSA-N -1 3 298.386 3.180 20 0 CGADHM O=C([O-])CCCCNCc1c(Cl)oc2ccccc21 ZINC000414676198 235449312 /nfs/dbraw/zinc/44/93/12/235449312.db2.gz GUIHFUCSNWXXLF-UHFFFAOYSA-N -1 3 281.739 3.431 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)C2CCC(=O)CC2)c1[O-] ZINC000336322303 213168119 /nfs/dbraw/zinc/16/81/19/213168119.db2.gz MIULEAAIDGNFJX-UHFFFAOYSA-N -1 3 281.739 3.052 20 0 CGADHM COc1cc(F)c(NC(=O)c2ccc([O-])c(C)c2)cc1F ZINC000336315165 213159203 /nfs/dbraw/zinc/15/92/03/213159203.db2.gz YRRICNGKSZLGPA-UHFFFAOYSA-N -1 3 293.269 3.240 20 0 CGADHM C[C@@H](CCC(=O)Nc1ccncc1[O-])c1ccccc1 ZINC000123731328 138369790 /nfs/dbraw/zinc/36/97/90/138369790.db2.gz VEYPRLRPHSVYEF-LBPRGKRZSA-N -1 3 270.332 3.310 20 0 CGADHM Cc1cccc(C)c1CC(=O)Nc1ccc([O-])cc1F ZINC000124277573 138373816 /nfs/dbraw/zinc/37/38/16/138373816.db2.gz GWSNKGVQGSHSLU-UHFFFAOYSA-N -1 3 273.307 3.329 20 0 CGADHM O=C(Nc1cc(C(F)(F)F)ccc1[O-])C1CCC1 ZINC000125340263 138381595 /nfs/dbraw/zinc/38/15/95/138381595.db2.gz RFFWAXQWGBDZBJ-UHFFFAOYSA-N -1 3 259.227 3.150 20 0 CGADHM [O-]c1ccc(F)c(CNCCOC2CCCCC2)c1F ZINC000294434455 199037897 /nfs/dbraw/zinc/03/78/97/199037897.db2.gz XLXLGMBHRFWMBU-UHFFFAOYSA-N -1 3 285.334 3.109 20 0 CGADHM O=C(N[C@@H]1C[C@H]1C1CCC1)c1cc([O-])ccc1C(F)(F)F ZINC000424970841 236204371 /nfs/dbraw/zinc/20/43/71/236204371.db2.gz OPWUTGSOYGUYPD-GXFFZTMASA-N -1 3 299.292 3.329 20 0 CGADHM C[C@@H](C(=O)[O-])[C@H](NCc1cccc(F)c1)c1ccccc1 ZINC000426744543 236310248 /nfs/dbraw/zinc/31/02/48/236310248.db2.gz CZBYUHBKEQUTGF-WBMJQRKESA-N -1 3 287.334 3.377 20 0 CGADHM Cc1ccc(C)c(CN[C@@H](C(=O)[O-])c2ccccc2F)c1 ZINC000426768928 236313159 /nfs/dbraw/zinc/31/31/59/236313159.db2.gz DKWJHOIRELVQKN-MRXNPFEDSA-N -1 3 287.334 3.358 20 0 CGADHM Cc1ccc(C(=O)N2CCC(C)(C)CC2)c([O-])c1C ZINC000436513783 237118211 /nfs/dbraw/zinc/11/82/11/237118211.db2.gz MTKKWGIKFFFQQZ-UHFFFAOYSA-N -1 3 261.365 3.271 20 0 CGADHM Cc1ccc(C(=O)Nc2cc(C3CC3)ccn2)c([O-])c1 ZINC000436616350 237144546 /nfs/dbraw/zinc/14/45/46/237144546.db2.gz IZJGBAAZHVFYMF-UHFFFAOYSA-N -1 3 268.316 3.225 20 0 CGADHM C[C@H]1CC[C@@H]1NC(=O)CCc1ccc2ccccc2c1[O-] ZINC000451726337 240351191 /nfs/dbraw/zinc/35/11/91/240351191.db2.gz SGVKCQFEOFBSSI-LRDDRELGSA-N -1 3 283.371 3.393 20 0 CGADHM Cc1csc2[nH]c(-c3ccc([O-])cc3C)nc(=O)c12 ZINC000436559960 237127613 /nfs/dbraw/zinc/12/76/13/237127613.db2.gz BBVWRKAHPNRAJM-UHFFFAOYSA-N -1 3 272.329 3.386 20 0 CGADHM Cc1ccc([O-])c(C(=O)N[C@H]2CCCO[C@@H]2CC(C)C)c1 ZINC000436567832 237134574 /nfs/dbraw/zinc/13/45/74/237134574.db2.gz YNNNWNGLJIJCQD-GOEBONIOSA-N -1 3 291.391 3.024 20 0 CGADHM COc1cccc2c1CC[C@H]2NC(=O)c1ccc(C)cc1[O-] ZINC000436584993 237136319 /nfs/dbraw/zinc/13/63/19/237136319.db2.gz KVZHRGIYKICXQT-OAHLLOKOSA-N -1 3 297.354 3.127 20 0 CGADHM Cc1ccc(CC[C@@H](C)NC(=O)c2ccc(C)cc2[O-])o1 ZINC000436581833 237139123 /nfs/dbraw/zinc/13/91/23/237139123.db2.gz GCKMYQCZCHUFMS-GFCCVEGCSA-N -1 3 287.359 3.353 20 0 CGADHM Cc1ccc(C(=O)N[C@@H](C)Cc2cccc(O)c2)c([O-])c1C ZINC000436601949 237142886 /nfs/dbraw/zinc/14/28/86/237142886.db2.gz IRTSRDRKHIVMLR-LBPRGKRZSA-N -1 3 299.370 3.076 20 0 CGADHM Cc1cc(C(=O)N[C@H]2C[C@@H](OC(C)C)C2(C)C)ccc1[O-] ZINC000436809717 237187125 /nfs/dbraw/zinc/18/71/25/237187125.db2.gz POHDWGCXKRITPG-LSDHHAIUSA-N -1 3 291.391 3.023 20 0 CGADHM CC(C)(CNC(=O)c1cc(=O)c2ccccc2[n-]1)C1CCC1 ZINC000296922629 200035501 /nfs/dbraw/zinc/03/55/01/200035501.db2.gz IFNKLMIEAAXEFQ-UHFFFAOYSA-N -1 3 298.386 3.497 20 0 CGADHM Cc1ccc(C(=O)NCCC2(F)CCC2)c([O-])c1C ZINC000436735713 237171010 /nfs/dbraw/zinc/17/10/10/237171010.db2.gz MUORQWBFDUYLRV-UHFFFAOYSA-N -1 3 265.328 3.021 20 0 CGADHM CSc1cccc(NC(=O)c2cccc(C)c2[O-])n1 ZINC000436733423 237171205 /nfs/dbraw/zinc/17/12/05/237171205.db2.gz HSMPMKMIJZGHSJ-UHFFFAOYSA-N -1 3 274.345 3.070 20 0 CGADHM COC1CCC(C)(CNC(=O)c2cccc(C)c2[O-])CC1 ZINC000436846674 237191895 /nfs/dbraw/zinc/19/18/95/237191895.db2.gz CKWQSMDRPVMCHE-UHFFFAOYSA-N -1 3 291.391 3.026 20 0 CGADHM COc1cc(Cc2nc(-c3ccc([O-])cc3)no2)ccc1C ZINC000436770755 237179746 /nfs/dbraw/zinc/17/97/46/237179746.db2.gz UCLIYJILVQNSAQ-UHFFFAOYSA-N -1 3 296.326 3.350 20 0 CGADHM Cc1cccc(C(=O)N[C@H](C)c2ccc(Cl)cn2)c1[O-] ZINC000436977304 237224874 /nfs/dbraw/zinc/22/48/74/237224874.db2.gz DLQQNYRWJHRXAJ-SNVBAGLBSA-N -1 3 290.750 3.240 20 0 CGADHM Cc1ccc(-c2nc(Cc3ccncc3)no2)c([O-])c1C ZINC000436889620 237204113 /nfs/dbraw/zinc/20/41/13/237204113.db2.gz RSSGFEMAQUCMFJ-UHFFFAOYSA-N -1 3 281.315 3.045 20 0 CGADHM Cc1nc2ccc(NC([O-])=NOC(C)C)cc2s1 ZINC000297471673 200202122 /nfs/dbraw/zinc/20/21/22/200202122.db2.gz NYJIOKOZUVASAL-UHFFFAOYSA-N -1 3 265.338 3.066 20 0 CGADHM Cc1nc2ccc(NC(=O)[N-]OC(C)C)cc2s1 ZINC000297471673 200202123 /nfs/dbraw/zinc/20/21/23/200202123.db2.gz NYJIOKOZUVASAL-UHFFFAOYSA-N -1 3 265.338 3.066 20 0 CGADHM COc1ccc(F)cc1C(=O)Nc1c(C)cccc1[O-] ZINC000335942296 212732503 /nfs/dbraw/zinc/73/25/03/212732503.db2.gz VHKLSRCVQMZYBI-UHFFFAOYSA-N -1 3 275.279 3.101 20 0 CGADHM CC(=O)c1ccsc1[N-]C(=O)c1cc(C(C)C)on1 ZINC000297730460 200270313 /nfs/dbraw/zinc/27/03/13/200270313.db2.gz GHUUWXVLXBKQRL-UHFFFAOYSA-N -1 3 278.333 3.314 20 0 CGADHM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)Nc1ncccc1[O-] ZINC000341890810 216139064 /nfs/dbraw/zinc/13/90/64/216139064.db2.gz QUYMIAJCPJGPBP-BZPMIXESSA-N -1 3 292.379 3.100 20 0 CGADHM O=C(Nc1ncccc1[O-])c1ccc(-c2cccs2)o1 ZINC000341903712 216146902 /nfs/dbraw/zinc/14/69/02/216146902.db2.gz RTOHHPKDXQEMMO-UHFFFAOYSA-N -1 3 286.312 3.361 20 0 CGADHM C[C@H]1CCC[C@H](C(=O)N=c2cc(-c3ccccc3)[n-][nH]2)C1 ZINC000439023656 238224447 /nfs/dbraw/zinc/22/44/47/238224447.db2.gz XBWGWJJAIHLPDU-JSGCOSHPSA-N -1 3 283.375 3.263 20 0 CGADHM C[C@H](CSc1n[n-]c(-c2ccccn2)n1)C(F)(F)F ZINC000439047496 238225425 /nfs/dbraw/zinc/22/54/25/238225425.db2.gz PWXJCJGRVNPYMK-SSDOTTSWSA-N -1 3 288.298 3.157 20 0 CGADHM O=C(Nc1ccc(Cl)cc1[O-])[C@H]1CC1(Cl)Cl ZINC000179641794 189209603 /nfs/dbraw/zinc/20/96/03/189209603.db2.gz NIHLZIBOGKIZRD-ZCFIWIBFSA-N -1 3 280.538 3.178 20 0 CGADHM CC[N@H+](CCCCC(=O)[O-])[C@@H](C)c1cccc([O-])c1 ZINC000181547250 189300509 /nfs/dbraw/zinc/30/05/09/189300509.db2.gz OVFXVHXWPRECCH-LBPRGKRZSA-N -1 3 265.353 3.030 20 0 CGADHM CC[N@@H+](CCCCC(=O)[O-])[C@@H](C)c1cccc([O-])c1 ZINC000181547250 189300510 /nfs/dbraw/zinc/30/05/10/189300510.db2.gz OVFXVHXWPRECCH-LBPRGKRZSA-N -1 3 265.353 3.030 20 0 CGADHM CCCOCc1ccccc1CNC(=O)c1cccc([O-])c1 ZINC000182123670 189314692 /nfs/dbraw/zinc/31/46/92/189314692.db2.gz FDIAQKBKXJLKPR-UHFFFAOYSA-N -1 3 299.370 3.249 20 0 CGADHM COCCC[C@@H](C)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000182359674 189321228 /nfs/dbraw/zinc/32/12/28/189321228.db2.gz NTCKFUIMBJHVDV-SECBINFHSA-N -1 3 271.744 3.047 20 0 CGADHM O=C(NC1(c2nccs2)CCCC1)c1cccc([O-])c1 ZINC000182458213 189325009 /nfs/dbraw/zinc/32/50/09/189325009.db2.gz HIDIAOFRFVKBCZ-UHFFFAOYSA-N -1 3 288.372 3.048 20 0 CGADHM Cc1nn(C)cc1/C=C/c1ccc2cccc([O-])c2n1 ZINC000120871466 370808230 /nfs/dbraw/zinc/80/82/30/370808230.db2.gz CCVIMJHTWYXOCD-VQHVLOKHSA-N -1 3 265.316 3.153 20 0 CGADHM COc1cccc(C(=O)N2C[C@@H](C(C)C)[C@@H]2C(C)C)c1[O-] ZINC000456286010 241392001 /nfs/dbraw/zinc/39/20/01/241392001.db2.gz JVVMBFYXRQADGE-ZFWWWQNUSA-N -1 3 291.391 3.153 20 0 CGADHM C[C@@H]1CCCC[C@]1(C)NC(=O)NCc1ccc([O-])c(F)c1 ZINC000458406979 241897819 /nfs/dbraw/zinc/89/78/19/241897819.db2.gz FVMRJSRJLVVHML-BZNIZROVSA-N -1 3 294.370 3.299 20 0 CGADHM Cc1ccc([C@H](C)NCc2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC000459457356 242115161 /nfs/dbraw/zinc/11/51/61/242115161.db2.gz CBOPVVCGGBCAHE-LBPRGKRZSA-N -1 3 283.375 3.219 20 0 CGADHM Cc1ccccc1C(C)(C)NCc1cc(=O)[n-]c(C2CC2)n1 ZINC000459491242 242124733 /nfs/dbraw/zinc/12/47/33/242124733.db2.gz UTYPQTNWIKXPGG-UHFFFAOYSA-N -1 3 297.402 3.393 20 0 CGADHM CCN(Cc1cc(=O)[n-]c(C2CC2)n1)c1ccccc1OC ZINC000459357848 242088741 /nfs/dbraw/zinc/08/87/41/242088741.db2.gz RTMFJGVUQWFXSO-UHFFFAOYSA-N -1 3 299.374 3.095 20 0 CGADHM C[C@@H]1CCC[C@H]1C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000461816991 242313421 /nfs/dbraw/zinc/31/34/21/242313421.db2.gz AHRIDCYHMLEHMU-BDAKNGLRSA-N -1 3 293.841 3.116 20 0 CGADHM C[C@]1(F)CCCN(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000295621464 291398091 /nfs/dbraw/zinc/39/80/91/291398091.db2.gz RDIJKMYOTRAHSX-ZDUSSCGKSA-N -1 3 271.719 3.010 20 0 CGADHM O=C(CCCc1ccc([O-])c(F)c1)N1C[C@@H]2CCC[C@H]2C1 ZINC000468964975 242662265 /nfs/dbraw/zinc/66/22/65/242662265.db2.gz LTYASIGLFHKTNI-KBPBESRZSA-N -1 3 291.366 3.113 20 0 CGADHM Cc1cc(C(=O)N[C@H](c2ccccc2)C(F)F)ccc1[O-] ZINC000481827459 243207898 /nfs/dbraw/zinc/20/78/98/243207898.db2.gz ZGYHFFNXYNJAIE-CQSZACIVSA-N -1 3 291.297 3.437 20 0 CGADHM Cc1ccc2c(c1)CCN(C(=O)c1cc(C)ccc1[O-])C2 ZINC000481006230 243173108 /nfs/dbraw/zinc/17/31/08/243173108.db2.gz LZWWMDNHNZAVPJ-UHFFFAOYSA-N -1 3 281.355 3.208 20 0 CGADHM CCCCCN(CCCCC)C(=O)c1cc(C)nc(=O)[n-]1 ZINC000484336897 243311080 /nfs/dbraw/zinc/31/10/80/243311080.db2.gz SKEIMEVPZYODIF-UHFFFAOYSA-N -1 3 293.411 3.313 20 0 CGADHM CCc1cc(C(=O)NC[C@@H](SC)C(C)(C)C)ccc1[O-] ZINC000487012887 243395785 /nfs/dbraw/zinc/39/57/85/243395785.db2.gz QYNDDCVYHNRAMT-CQSZACIVSA-N -1 3 295.448 3.462 20 0 CGADHM CCc1cc(C(=O)NC2(C(F)(F)F)CCC2)ccc1[O-] ZINC000486603956 243366870 /nfs/dbraw/zinc/36/68/70/243366870.db2.gz QMAXNRWUUKLNBB-UHFFFAOYSA-N -1 3 287.281 3.169 20 0 CGADHM CCN(C(=O)c1cccc(C)c1[O-])C1CCCCC1 ZINC000019839481 368771857 /nfs/dbraw/zinc/77/18/57/368771857.db2.gz OAOSOBLCPZDOCT-UHFFFAOYSA-N -1 3 261.365 3.495 20 0 CGADHM CCCCc1nnc(NC(=O)c2ccc(C)cc2[O-])s1 ZINC000023357689 368819818 /nfs/dbraw/zinc/81/98/18/368819818.db2.gz OIGBVFBMDCGEIV-UHFFFAOYSA-N -1 3 291.376 3.147 20 0 CGADHM CCCCC[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000023861762 368824539 /nfs/dbraw/zinc/82/45/39/368824539.db2.gz XPLRQYNAAKZYNI-UHFFFAOYSA-N -1 3 296.219 3.462 20 0 CGADHM CCC[C@@H](C)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000030269789 368902344 /nfs/dbraw/zinc/90/23/44/368902344.db2.gz KPQSREHUKAWVPA-SECBINFHSA-N -1 3 265.382 3.017 20 0 CGADHM O=C(Nc1ncccc1[O-])c1cccc2ccccc21 ZINC000030953457 368909048 /nfs/dbraw/zinc/90/90/48/368909048.db2.gz CQEFOHGZPSRUJD-UHFFFAOYSA-N -1 3 264.284 3.193 20 0 CGADHM COc1ccc(C(=O)NCc2ccc(Cl)s2)c([O-])c1 ZINC000025519738 368847474 /nfs/dbraw/zinc/84/74/74/368847474.db2.gz PIAMGPOASCYOFI-UHFFFAOYSA-N -1 3 297.763 3.046 20 0 CGADHM Cc1ccc(F)c(S(=O)(=O)[N-][C@@H](C)c2ccccc2)c1 ZINC000032400694 368931098 /nfs/dbraw/zinc/93/10/98/368931098.db2.gz VWCJSIGKVAUKRQ-LBPRGKRZSA-N -1 3 293.363 3.174 20 0 CGADHM CC[C@H](C)N(CC(=O)[O-])Cc1ccc(F)cc1Cl ZINC000037598715 369091719 /nfs/dbraw/zinc/09/17/19/369091719.db2.gz LMSPQPDFSUVHKG-VIFPVBQESA-N -1 3 273.735 3.164 20 0 CGADHM COc1cccc(/C=C/C(=O)Nc2ccc([O-])cc2F)c1 ZINC000492730601 244012747 /nfs/dbraw/zinc/01/27/47/244012747.db2.gz CLKWYFJJWLAXKM-VMPITWQZSA-N -1 3 287.290 3.192 20 0 CGADHM O=C(/C=C/c1cnc2ccccc2n1)[N-]OC1CCCCC1 ZINC000492722835 244013215 /nfs/dbraw/zinc/01/32/15/244013215.db2.gz VSGMNGZFKRVWLG-ZHACJKMWSA-N -1 3 297.358 3.024 20 0 CGADHM CC(C)Oc1ccc(CNCc2ccc(C(=O)[O-])cc2)cc1 ZINC000040731217 369161906 /nfs/dbraw/zinc/16/19/06/369161906.db2.gz NFOVJJNIYSJBLD-UHFFFAOYSA-N -1 3 299.370 3.462 20 0 CGADHM Cc1noc([N-]C(=O)c2oc3ccc(Cl)cc3c2C)n1 ZINC000042702950 369229266 /nfs/dbraw/zinc/22/92/66/369229266.db2.gz BLJBMJGXTLEQDL-UHFFFAOYSA-N -1 3 291.694 3.338 20 0 CGADHM CC(C)[C@H]1C[C@H](CC(=O)Nc2ccc([O-])cc2F)CCO1 ZINC000330816002 203271067 /nfs/dbraw/zinc/27/10/67/203271067.db2.gz QTOCZCYYUALKPO-IAQYHMDHSA-N -1 3 295.354 3.311 20 0 CGADHM Cc1cccc(C(=O)N2CC[C@H](c3ccccc3)C2)c1[O-] ZINC000050273055 369434374 /nfs/dbraw/zinc/43/43/74/369434374.db2.gz HJZNKAGSCPMGRU-HNNXBMFYSA-N -1 3 281.355 3.330 20 0 CGADHM CC1(C)[C@H](C(F)(F)F)CCN1C(=O)c1ccccc1[O-] ZINC000276169700 193232199 /nfs/dbraw/zinc/23/21/99/193232199.db2.gz GVJCQQNZIBSCGV-LLVKDONJSA-N -1 3 287.281 3.195 20 0 CGADHM CCc1ccc(C(=O)Nc2c(C)[nH]nc2C(F)F)c([O-])c1 ZINC000276358329 193299178 /nfs/dbraw/zinc/29/91/78/193299178.db2.gz LXVUWVGIPRIXKJ-UHFFFAOYSA-N -1 3 295.289 3.176 20 0 CGADHM CCc1ccc(C(=O)Nc2c(C)n[nH]c2C(F)F)c([O-])c1 ZINC000276358329 193299179 /nfs/dbraw/zinc/29/91/79/193299179.db2.gz LXVUWVGIPRIXKJ-UHFFFAOYSA-N -1 3 295.289 3.176 20 0 CGADHM CCc1ccc(C(=O)N(C)[C@@H](CC)CSC)c([O-])c1 ZINC000276361863 193300707 /nfs/dbraw/zinc/30/07/07/193300707.db2.gz MKWLCUWSXASYAA-LBPRGKRZSA-N -1 3 281.421 3.168 20 0 CGADHM Cc1ccc(CN(C)Cc2ccc(C(=O)[O-])cc2)s1 ZINC000086725166 370022540 /nfs/dbraw/zinc/02/25/40/370022540.db2.gz YQHXZSOFZBBGIS-UHFFFAOYSA-N -1 3 275.373 3.387 20 0 CGADHM O=C([C@H]1Cc2ccccc21)N1CCCc2cccc([O-])c21 ZINC000090984974 296152652 /nfs/dbraw/zinc/15/26/52/296152652.db2.gz UTUQSTZUXWHKFR-HNNXBMFYSA-N -1 3 279.339 3.011 20 0 CGADHM Cc1cc(C)cc(-c2cc(=NC(=O)C3CCCC3)[nH][n-]2)c1 ZINC000512529708 245040168 /nfs/dbraw/zinc/04/01/68/245040168.db2.gz BSBMUDCSPBFESD-UHFFFAOYSA-N -1 3 283.375 3.244 20 0 CGADHM CN(Cc1c(F)ccc([O-])c1F)CC1(O)CCCCCC1 ZINC000512717722 245047153 /nfs/dbraw/zinc/04/71/53/245047153.db2.gz CDLGRBUPNQTJNH-UHFFFAOYSA-N -1 3 299.361 3.188 20 0 CGADHM O=C(Nc1ccccc1[O-])[C@H]1C[C@@H]1c1ccc(F)cc1F ZINC000113414269 370472882 /nfs/dbraw/zinc/47/28/82/370472882.db2.gz CWQJNXKXCHBGIB-NEPJUHHUSA-N -1 3 289.281 3.413 20 0 CGADHM O=C(Nc1ccccc1[O-])[C@H]1C[C@H]1c1c(F)cccc1F ZINC000116441313 370560476 /nfs/dbraw/zinc/56/04/76/370560476.db2.gz SUUOLVWXDYXOQF-ZJUUUORDSA-N -1 3 289.281 3.413 20 0 CGADHM Cc1ccc(C(=O)Nc2cc(Cl)cc(C)c2[O-])cn1 ZINC000116979793 370576274 /nfs/dbraw/zinc/57/62/74/370576274.db2.gz ZRABYGNRDQRPSC-UHFFFAOYSA-N -1 3 276.723 3.310 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)c2cscn2)c1[O-] ZINC000116979138 370576376 /nfs/dbraw/zinc/57/63/76/370576376.db2.gz AZONZJMZUKCHBN-UHFFFAOYSA-N -1 3 268.725 3.063 20 0 CGADHM O=C(Nc1ccccc1[O-])[C@@H]1CSc2ccccc21 ZINC000118492932 370617816 /nfs/dbraw/zinc/61/78/16/370617816.db2.gz LZRLYFXMVHQQDL-LLVKDONJSA-N -1 3 271.341 3.220 20 0 CGADHM CC1=C(C(=O)Nc2cc(Cl)ccc2[O-])CCCO1 ZINC000130735843 371055870 /nfs/dbraw/zinc/05/58/70/371055870.db2.gz NPSOGYMOXLGMRI-UHFFFAOYSA-N -1 3 267.712 3.069 20 0 CGADHM CCN(C(=O)c1ccc2c(c1[O-])OC(C)(C)C2)C1CCC1 ZINC000436526358 284257277 /nfs/dbraw/zinc/25/72/77/284257277.db2.gz DHKNBTKADNUGNJ-UHFFFAOYSA-N -1 3 289.375 3.120 20 0 CGADHM COCCC1(C(=O)Nc2cc(F)ccc2[O-])CCCC1 ZINC000133744645 371276070 /nfs/dbraw/zinc/27/60/70/371276070.db2.gz BLZGYXNKPZCDTN-UHFFFAOYSA-N -1 3 281.327 3.067 20 0 CGADHM C[C@@H]1CCCC[C@@H]1NC(=O)Cc1ccc([O-])cc1Cl ZINC000136061560 371458656 /nfs/dbraw/zinc/45/86/56/371458656.db2.gz ZBMFTVFTBCOZQG-YGRLFVJLSA-N -1 3 281.783 3.283 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2C[C@@H](C)CCC[C@@H]2C)c1 ZINC000150784390 371537414 /nfs/dbraw/zinc/53/74/14/371537414.db2.gz CIKXOOHBFKGPEM-STQMWFEESA-N -1 3 261.365 3.351 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)Oc2ccc(Cl)cc2F)n1 ZINC000150955347 371553565 /nfs/dbraw/zinc/55/35/65/371553565.db2.gz TYXFYBWWKCMQQQ-MRVPVSSYSA-N -1 3 282.702 3.423 20 0 CGADHM COc1ccc([O-])c(C(=O)N2CC[C@H](C3CCCC3)C2)c1 ZINC000421654251 371593891 /nfs/dbraw/zinc/59/38/91/371593891.db2.gz KMXGYFPHGPOIQO-ZDUSSCGKSA-N -1 3 289.375 3.053 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)Sc2ccc(Cl)cn2)n1 ZINC000151450393 371603184 /nfs/dbraw/zinc/60/31/84/371603184.db2.gz IDAMOGYGVDQTBR-QMMMGPOBSA-N -1 3 281.768 3.392 20 0 CGADHM CCC[C@@H]1CCCN(C(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000151812366 371639005 /nfs/dbraw/zinc/63/90/05/371639005.db2.gz CFZSLGHFPCGRQM-GFCCVEGCSA-N -1 3 294.370 3.253 20 0 CGADHM Cc1cc(C(=O)N2CC[C@H](C3CCCC3)C2)ccc1[O-] ZINC000421947861 371711655 /nfs/dbraw/zinc/71/16/55/371711655.db2.gz KIJNHNPEIBGZLB-HNNXBMFYSA-N -1 3 273.376 3.353 20 0 CGADHM C[C@H]1CCC[C@H](CC(=O)Nc2nnc(-c3ccccn3)[n-]2)C1 ZINC000153945272 371803416 /nfs/dbraw/zinc/80/34/16/371803416.db2.gz NUIHFGQSNIEWRD-RYUDHWBXSA-N -1 3 299.378 3.022 20 0 CGADHM C[C@H]1CCC[C@H](CC(=O)Nc2nc(-c3ccccn3)n[n-]2)C1 ZINC000153945272 371803420 /nfs/dbraw/zinc/80/34/20/371803420.db2.gz NUIHFGQSNIEWRD-RYUDHWBXSA-N -1 3 299.378 3.022 20 0 CGADHM C[C@H]1CCC[C@H](CC(=O)Nc2n[n-]c(-c3ccccn3)n2)C1 ZINC000153945272 371803425 /nfs/dbraw/zinc/80/34/25/371803425.db2.gz NUIHFGQSNIEWRD-RYUDHWBXSA-N -1 3 299.378 3.022 20 0 CGADHM CC(C)OCc1cc(NC(=O)c2ccco2)ccc1[O-] ZINC000290529456 372011110 /nfs/dbraw/zinc/01/11/10/372011110.db2.gz HUUOEYPSSHVXEM-UHFFFAOYSA-N -1 3 275.304 3.163 20 0 CGADHM CC1=C(C)CN(C(=O)c2cc([O-])ccc2Cl)CC1 ZINC000290987399 372088554 /nfs/dbraw/zinc/08/85/54/372088554.db2.gz ZJXRSSRPBVGPTA-UHFFFAOYSA-N -1 3 265.740 3.228 20 0 CGADHM C[C@H]1CCN(C(=O)C2(CCF)CC2)c2c([O-])cccc21 ZINC000291661997 372172562 /nfs/dbraw/zinc/17/25/62/372172562.db2.gz KUTNKZWLDSRWDU-NSHDSACASA-N -1 3 277.339 3.372 20 0 CGADHM CC(C)COc1cccc(NC(=O)[N-]OCC2CC2)c1 ZINC000292824688 372220425 /nfs/dbraw/zinc/22/04/25/372220425.db2.gz XJNDJGLXLQGPNT-UHFFFAOYSA-N -1 3 278.352 3.185 20 0 CGADHM Cc1cc(NC(=O)[N-]OCC2CC2)ccc1C(F)(F)F ZINC000292845801 372225993 /nfs/dbraw/zinc/22/59/93/372225993.db2.gz VEJTWOHRKABGDB-UHFFFAOYSA-N -1 3 288.269 3.477 20 0 CGADHM O=C([N-]OCC1CC1)Nc1cccc(Oc2ccccn2)c1 ZINC000292761615 372204038 /nfs/dbraw/zinc/20/40/38/372204038.db2.gz OORYXRPPHVCJGU-UHFFFAOYSA-N -1 3 299.330 3.337 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)Nc1ccc2c(c1)CCCO2 ZINC000292916237 372247338 /nfs/dbraw/zinc/24/73/38/372247338.db2.gz LGCNHDGSBKDATF-LLVKDONJSA-N -1 3 278.352 3.111 20 0 CGADHM CCO[C@@H](C[N-]c1nnc(C(F)F)o1)c1ccccc1 ZINC000292939592 372253956 /nfs/dbraw/zinc/25/39/56/372253956.db2.gz FEYDDUWEXLCCNA-JTQLQIEISA-N -1 3 283.278 3.197 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)Nc1ccc2ccn(C)c2c1 ZINC000292955926 372260037 /nfs/dbraw/zinc/26/00/37/372260037.db2.gz AVVBVOWOHCLNMI-LLVKDONJSA-N -1 3 275.352 3.278 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)Nc1ccc2scnc2c1 ZINC000292986285 372268288 /nfs/dbraw/zinc/26/82/88/372268288.db2.gz RPNZKPNWPOSAGZ-SECBINFHSA-N -1 3 279.365 3.396 20 0 CGADHM CC(C)C[C@@H](NCc1ccc(Cl)cc1F)C(=O)[O-] ZINC000160799755 372278056 /nfs/dbraw/zinc/27/80/56/372278056.db2.gz AOXDGESELHSODQ-GFCCVEGCSA-N -1 3 273.735 3.068 20 0 CGADHM COc1ccc([O-])c(C(=O)N(C)Cc2cc(C)ccc2C)c1 ZINC000429053330 372309188 /nfs/dbraw/zinc/30/91/88/372309188.db2.gz MQBFOYATEYDIHU-UHFFFAOYSA-N -1 3 299.370 3.290 20 0 CGADHM [O-]c1ccc(-c2noc([C@@H]3CCCOC3)n2)c2ccccc12 ZINC000293335339 372357069 /nfs/dbraw/zinc/35/70/69/372357069.db2.gz DIKHSQANUXCJNU-LLVKDONJSA-N -1 3 296.326 3.489 20 0 CGADHM Cc1ccc([O-])c(CN(Cc2ccco2)Cc2ccco2)n1 ZINC000162559271 372403252 /nfs/dbraw/zinc/40/32/52/372403252.db2.gz IYMRYFSFKKYZRJ-UHFFFAOYSA-N -1 3 298.342 3.484 20 0 CGADHM CO[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000293552947 372409972 /nfs/dbraw/zinc/40/99/72/372409972.db2.gz UMHDFZCUOCVJCH-GXFFZTMASA-N -1 3 283.755 3.189 20 0 CGADHM CO[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000293552944 372410336 /nfs/dbraw/zinc/41/03/36/372410336.db2.gz UMHDFZCUOCVJCH-GWCFXTLKSA-N -1 3 283.755 3.189 20 0 CGADHM CCc1cc(=O)[n-]c(CN2CCC[C@@H]2c2ccccc2C)n1 ZINC000344371547 217172024 /nfs/dbraw/zinc/17/20/24/217172024.db2.gz SJJBFCFICHQBIG-MRXNPFEDSA-N -1 3 297.402 3.390 20 0 CGADHM COc1cccc2c1[C@H](C(=O)Nc1ccc(C)cc1[O-])CC2 ZINC000431281829 372452601 /nfs/dbraw/zinc/45/26/01/372452601.db2.gz SMYKVLLCMCSDSE-CYBMUJFWSA-N -1 3 297.354 3.378 20 0 CGADHM CCC[C@]1(C)CCCN(Cc2nc(CC)cc(=O)[n-]2)C1 ZINC000344383809 217175325 /nfs/dbraw/zinc/17/53/25/217175325.db2.gz XMRXMZSHNVDZLJ-MRXNPFEDSA-N -1 3 277.412 3.147 20 0 CGADHM CCC[C@H](C)N(C)C(=O)c1ccc2[n-]c(OCC)nc2c1 ZINC000431905956 372515374 /nfs/dbraw/zinc/51/53/74/372515374.db2.gz DQCYBLZIPJEUPF-NSHDSACASA-N -1 3 289.379 3.222 20 0 CGADHM CCC[C@H](C)N(C)C(=O)c1ccc2nc(OCC)[n-]c2c1 ZINC000431905956 372515380 /nfs/dbraw/zinc/51/53/80/372515380.db2.gz DQCYBLZIPJEUPF-NSHDSACASA-N -1 3 289.379 3.222 20 0 CGADHM Cc1cccc(OCCCCC(=O)[N-]OCC2CC2)c1 ZINC000293894792 372516546 /nfs/dbraw/zinc/51/65/46/372516546.db2.gz ZDHWFQOXVIDJNK-UHFFFAOYSA-N -1 3 277.364 3.002 20 0 CGADHM O=C([N-][C@H]1C[C@H](c2ccc(F)cc2)C1)C(F)(F)C(F)F ZINC000293924209 372526292 /nfs/dbraw/zinc/52/62/92/372526292.db2.gz FLEQBGFFQGFPEW-CZMCAQCFSA-N -1 3 293.235 3.088 20 0 CGADHM [O-]c1cccc(CN2CCOC[C@H](C3CCC3)C2)c1Cl ZINC000294037736 372562820 /nfs/dbraw/zinc/56/28/20/372562820.db2.gz WENPVDAQCYKQEK-CQSZACIVSA-N -1 3 295.810 3.294 20 0 CGADHM CCC[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000433620984 372616377 /nfs/dbraw/zinc/61/63/77/372616377.db2.gz DEQGDYBJYNAETR-UHFFFAOYSA-N -1 3 289.809 3.243 20 0 CGADHM COC(=O)c1[n-]c(=N[C@H]2C[C@H]2C2CCCCC2)sc1C ZINC000433766573 372627359 /nfs/dbraw/zinc/62/73/59/372627359.db2.gz OBHAKFACTPHJAQ-RYUDHWBXSA-N -1 3 294.420 3.041 20 0 CGADHM O=C([O-])C[C@H]1CCCN(Cc2cccc(Cl)c2)C1 ZINC000054300115 541881225 /nfs/dbraw/zinc/88/12/25/541881225.db2.gz LYTDJCWKFSWZLH-GFCCVEGCSA-N -1 3 267.756 3.027 20 0 CGADHM O=C([O-])C[C@@H]1CCCN(Cc2cccc(Cl)c2)C1 ZINC000054300118 541881496 /nfs/dbraw/zinc/88/14/96/541881496.db2.gz LYTDJCWKFSWZLH-LBPRGKRZSA-N -1 3 267.756 3.027 20 0 CGADHM CCc1cc(=O)[n-]c(CSCCc2ccccc2F)n1 ZINC000435882215 372822634 /nfs/dbraw/zinc/82/26/34/372822634.db2.gz SHYXRYKDAUHMFE-UHFFFAOYSA-N -1 3 292.379 3.360 20 0 CGADHM Cc1cccc(C(=O)N2Cc3ccccc3OC[C@@H]2C)c1[O-] ZINC000436733339 372840744 /nfs/dbraw/zinc/84/07/44/372840744.db2.gz HBWROMCMQCCTMF-ZDUSSCGKSA-N -1 3 297.354 3.124 20 0 CGADHM CC(C)O[N-]C(=O)[C@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000295722815 372889878 /nfs/dbraw/zinc/88/98/78/372889878.db2.gz QRWXFCAMDZFMIJ-IUCAKERBSA-N -1 3 271.719 3.039 20 0 CGADHM COc1ccc([O-])c(C(=O)Nc2cscc2C)c1 ZINC000156693210 321785162 /nfs/dbraw/zinc/78/51/62/321785162.db2.gz PDGURYYKJPJHOR-UHFFFAOYSA-N -1 3 263.318 3.023 20 0 CGADHM O=C(Nc1ccccc1[O-])[C@@H]1CCC(=O)c2ccccc21 ZINC000334244565 284372266 /nfs/dbraw/zinc/37/22/66/284372266.db2.gz ZWAGWDOYTXFHOF-CYBMUJFWSA-N -1 3 281.311 3.091 20 0 CGADHM CC(C)ON=C([O-])Nc1ccc2oc(C3CC3)nc2c1 ZINC000296248144 373068517 /nfs/dbraw/zinc/06/85/17/373068517.db2.gz GBMNFRPSCHFVLN-UHFFFAOYSA-N -1 3 275.308 3.167 20 0 CGADHM CC(C)O[N-]C(=O)Nc1ccc2oc(C3CC3)nc2c1 ZINC000296248144 373068527 /nfs/dbraw/zinc/06/85/27/373068527.db2.gz GBMNFRPSCHFVLN-UHFFFAOYSA-N -1 3 275.308 3.167 20 0 CGADHM CC[C@H](F)CSc1nc2nc(C)cc(C)c2c(=O)[n-]1 ZINC000441852159 373040696 /nfs/dbraw/zinc/04/06/96/373040696.db2.gz ZQTIFFPPLHKIMZ-VIFPVBQESA-N -1 3 281.356 3.187 20 0 CGADHM O=C(Nc1ccc(OC(F)(F)F)cc1[O-])c1ccoc1 ZINC000442795395 373086702 /nfs/dbraw/zinc/08/67/02/373086702.db2.gz FBWYQCWBURONKO-UHFFFAOYSA-N -1 3 287.193 3.136 20 0 CGADHM CC[C@H]1CCCCCN1C(=O)c1c[n-]c2ccccc2c1=O ZINC000173257204 373115507 /nfs/dbraw/zinc/11/55/07/373115507.db2.gz QPWLIJVLTUKCMD-ZDUSSCGKSA-N -1 3 298.386 3.323 20 0 CGADHM CC(C)ON=C([O-])Nc1ccccc1SC(F)F ZINC000296512278 373159606 /nfs/dbraw/zinc/15/96/06/373159606.db2.gz YSILFOWLPQYLHK-UHFFFAOYSA-N -1 3 276.308 3.463 20 0 CGADHM CC(C)O[N-]C(=O)Nc1ccccc1SC(F)F ZINC000296512278 373159618 /nfs/dbraw/zinc/15/96/18/373159618.db2.gz YSILFOWLPQYLHK-UHFFFAOYSA-N -1 3 276.308 3.463 20 0 CGADHM CCN(C(=O)c1ccc([O-])c(OC)c1)[C@@H]1CCCC[C@H]1C ZINC000442967718 373134921 /nfs/dbraw/zinc/13/49/21/373134921.db2.gz PVLLJKVHLQWJST-TZMCWYRMSA-N -1 3 291.391 3.442 20 0 CGADHM Cc1cc(NC([O-])=NOC(C)C)ccc1C(F)(F)F ZINC000296705737 373224397 /nfs/dbraw/zinc/22/43/97/373224397.db2.gz DDUSQWZENIRBIC-UHFFFAOYSA-N -1 3 276.258 3.475 20 0 CGADHM Cc1cc(NC(=O)[N-]OC(C)C)ccc1C(F)(F)F ZINC000296705737 373224402 /nfs/dbraw/zinc/22/44/02/373224402.db2.gz DDUSQWZENIRBIC-UHFFFAOYSA-N -1 3 276.258 3.475 20 0 CGADHM CC[C@]1(C)CCCN(C(=O)c2cccc(OC)c2[O-])C1 ZINC000174752083 373361414 /nfs/dbraw/zinc/36/14/14/373361414.db2.gz MWCOVVVCLRSCSM-MRXNPFEDSA-N -1 3 277.364 3.053 20 0 CGADHM Cc1ccnc(NC(=O)CCCc2ccc([O-])c(F)c2)c1 ZINC000344995604 217381924 /nfs/dbraw/zinc/38/19/24/217381924.db2.gz ADQFWOAMSWPHTJ-UHFFFAOYSA-N -1 3 288.322 3.196 20 0 CGADHM Cc1ccc([O-])c(NC(=O)C(C)(C)Cc2ccccc2)n1 ZINC000447633833 373467583 /nfs/dbraw/zinc/46/75/83/373467583.db2.gz HDJVEFFIRYFIES-UHFFFAOYSA-N -1 3 284.359 3.303 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2ccc(C)c(Cl)c2F)n1 ZINC000447638004 373468150 /nfs/dbraw/zinc/46/81/50/373468150.db2.gz UXERVZPSDGEVHQ-UHFFFAOYSA-N -1 3 294.713 3.449 20 0 CGADHM CCC1(CC)CCN(C(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000447405955 373435162 /nfs/dbraw/zinc/43/51/62/373435162.db2.gz AUVRFANVTDUTPL-UHFFFAOYSA-N -1 3 294.370 3.253 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCC(C)(C(C)C)CC2)n1 ZINC000447879966 373513051 /nfs/dbraw/zinc/51/30/51/373513051.db2.gz SQKAPZJGIFHUSL-CYBMUJFWSA-N -1 3 277.412 3.310 20 0 CGADHM COc1ccc(Cl)cc1CN1CCC[C@@H](C)[C@H]1C(=O)[O-] ZINC000300294303 373624173 /nfs/dbraw/zinc/62/41/73/373624173.db2.gz JAEIVTUUMGLVPV-YGRLFVJLSA-N -1 3 297.782 3.034 20 0 CGADHM CSc1nnc(NC(=O)C(CC(C)C)CC(C)C)[n-]1 ZINC000448830154 373643537 /nfs/dbraw/zinc/64/35/37/373643537.db2.gz FYEZGCNYQAQDOE-UHFFFAOYSA-N -1 3 284.429 3.174 20 0 CGADHM CSc1n[n-]c(NC(=O)C(CC(C)C)CC(C)C)n1 ZINC000448830154 373643545 /nfs/dbraw/zinc/64/35/45/373643545.db2.gz FYEZGCNYQAQDOE-UHFFFAOYSA-N -1 3 284.429 3.174 20 0 CGADHM CSc1nc(NC(=O)C(CC(C)C)CC(C)C)n[n-]1 ZINC000448830154 373643554 /nfs/dbraw/zinc/64/35/54/373643554.db2.gz FYEZGCNYQAQDOE-UHFFFAOYSA-N -1 3 284.429 3.174 20 0 CGADHM CC(C)CN(C(=O)Cc1ccc([O-])cc1Cl)C1CC1 ZINC000178571172 373793128 /nfs/dbraw/zinc/79/31/28/373793128.db2.gz DDDMHLRUPRWHII-UHFFFAOYSA-N -1 3 281.783 3.235 20 0 CGADHM O=C(CCc1ccc2[nH]ccc2c1)Nc1ccccc1[O-] ZINC000179928337 373940484 /nfs/dbraw/zinc/94/04/84/373940484.db2.gz LONIFFLGLCIRGP-UHFFFAOYSA-N -1 3 280.327 3.445 20 0 CGADHM Cc1cccc(C(=O)Nc2ccc(-c3cc[nH]n3)cc2)c1[O-] ZINC000302997629 374008053 /nfs/dbraw/zinc/00/80/53/374008053.db2.gz XPNDMBKGBBNNOP-UHFFFAOYSA-N -1 3 293.326 3.343 20 0 CGADHM Cc1cccc(O[C@@H](C)CNC(=O)c2cc(C)ccc2[O-])c1 ZINC000303980888 374032849 /nfs/dbraw/zinc/03/28/49/374032849.db2.gz XLEWKXNWDVJDAD-AWEZNQCLSA-N -1 3 299.370 3.206 20 0 CGADHM Cc1cccc(C)c1CC(=O)NCc1ccc([O-])c(F)c1 ZINC000180737006 374041337 /nfs/dbraw/zinc/04/13/37/374041337.db2.gz MSFOSDPPSODLTF-UHFFFAOYSA-N -1 3 287.334 3.007 20 0 CGADHM Cc1ccccc1C(C)(C)C(=O)Nc1ncccc1[O-] ZINC000180998973 374067622 /nfs/dbraw/zinc/06/76/22/374067622.db2.gz ZACCMHXDZTVORP-UHFFFAOYSA-N -1 3 270.332 3.012 20 0 CGADHM CC(C)(C)NCc1cccc([O-])c1Br ZINC000306302494 374131313 /nfs/dbraw/zinc/13/13/13/374131313.db2.gz GVTARAMPFYWJHV-UHFFFAOYSA-N -1 3 258.159 3.043 20 0 CGADHM O=C(Nc1ccc(N2CCCCC2)cn1)c1cccc([O-])c1 ZINC000182167018 374227842 /nfs/dbraw/zinc/22/78/42/374227842.db2.gz NDOJDHUQRAWYJY-UHFFFAOYSA-N -1 3 297.358 3.030 20 0 CGADHM C[C@]1(F)CCCN(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000452209900 374279676 /nfs/dbraw/zinc/27/96/76/374279676.db2.gz TWINRTTVRDHMTP-INIZCTEOSA-N -1 3 297.345 3.205 20 0 CGADHM O=C(Nc1ccc([O-])cc1F)[C@H]1CC2CCC1CC2 ZINC000312107309 374269522 /nfs/dbraw/zinc/26/95/22/374269522.db2.gz XIGMJJNAEZISGX-CBINBANVSA-N -1 3 263.312 3.296 20 0 CGADHM CC(C)c1ccc(NC(=O)c2cccc3nn[n-]c32)cc1 ZINC000182676503 374310525 /nfs/dbraw/zinc/31/05/25/374310525.db2.gz SESGTIYQXHXGDK-UHFFFAOYSA-N -1 3 280.331 3.334 20 0 CGADHM CC(C)c1ccc(NC(=O)c2cccc3[n-]nnc32)cc1 ZINC000182676503 374310533 /nfs/dbraw/zinc/31/05/33/374310533.db2.gz SESGTIYQXHXGDK-UHFFFAOYSA-N -1 3 280.331 3.334 20 0 CGADHM CC(C)c1ccc(NC(=O)c2cccc3n[n-]nc32)cc1 ZINC000182676503 374310541 /nfs/dbraw/zinc/31/05/41/374310541.db2.gz SESGTIYQXHXGDK-UHFFFAOYSA-N -1 3 280.331 3.334 20 0 CGADHM CCC[C@@H](C)[C@@H]1CCCN1C(=O)c1ccc(O)cc1[O-] ZINC000182830008 374332970 /nfs/dbraw/zinc/33/29/70/374332970.db2.gz YXKXIFHFPHSOLY-RISCZKNCSA-N -1 3 277.364 3.139 20 0 CGADHM CCc1ccc(OCC(=O)Nc2c(C)cccc2[O-])cc1 ZINC000183032932 374357303 /nfs/dbraw/zinc/35/73/03/374357303.db2.gz GLXWWXILKMXIFR-UHFFFAOYSA-N -1 3 285.343 3.281 20 0 CGADHM Cc1cc(Cl)c(C(=O)Nc2ncccc2[O-])cc1C ZINC000183083694 374370319 /nfs/dbraw/zinc/37/03/19/374370319.db2.gz PJDCCIJEFLPMHQ-UHFFFAOYSA-N -1 3 276.723 3.310 20 0 CGADHM CCO[N-]C(=O)Nc1ccccc1SC(F)(F)F ZINC000182940749 374348760 /nfs/dbraw/zinc/34/87/60/374348760.db2.gz WKMLPWMUKLTBJL-UHFFFAOYSA-N -1 3 280.271 3.372 20 0 CGADHM COC(=O)c1coc(C(=O)[N-]c2ccc(Cl)cc2F)c1 ZINC000183674288 374439821 /nfs/dbraw/zinc/43/98/21/374439821.db2.gz PWBHPCIENFYQFP-UHFFFAOYSA-N -1 3 297.669 3.111 20 0 CGADHM Cc1cccc(CN2Cc3ccccc3[C@H](C(=O)[O-])C2)c1 ZINC000087612166 541944649 /nfs/dbraw/zinc/94/46/49/541944649.db2.gz ZXDYEUZXRPQKEJ-QGZVFWFLSA-N -1 3 281.355 3.179 20 0 CGADHM Cc1oc(C)c(C(=O)Nc2ccc([O-])cc2F)c1C ZINC000087200184 541942653 /nfs/dbraw/zinc/94/26/53/541942653.db2.gz NTTVWCMQTJWWMR-UHFFFAOYSA-N -1 3 263.268 3.302 20 0 CGADHM O=S(=O)(CCCC1CCCC1)c1cccc([O-])c1 ZINC000183996795 374481666 /nfs/dbraw/zinc/48/16/66/374481666.db2.gz CFSFFERRFMDWCN-UHFFFAOYSA-N -1 3 268.378 3.136 20 0 CGADHM [O-]c1cc(F)cc(CNc2cnn(Cc3ccccc3)c2)c1 ZINC000184140406 374496726 /nfs/dbraw/zinc/49/67/26/374496726.db2.gz BAYYYOAEWDNZKM-UHFFFAOYSA-N -1 3 297.333 3.388 20 0 CGADHM [O-]c1cc(F)cc(CN2CCc3ccccc3C2)c1 ZINC000184147557 374499081 /nfs/dbraw/zinc/49/90/81/374499081.db2.gz DYSFBRFUDFINOE-UHFFFAOYSA-N -1 3 257.308 3.090 20 0 CGADHM COC1(C(=O)Nc2ccc(Cl)cc2[O-])CCCCC1 ZINC000331044701 374499154 /nfs/dbraw/zinc/49/91/54/374499154.db2.gz GWFPOPRDOCNYAD-UHFFFAOYSA-N -1 3 283.755 3.333 20 0 CGADHM CCc1ncc(C(=O)[N-]c2c(F)cccc2F)s1 ZINC000334179202 206150450 /nfs/dbraw/zinc/15/04/50/206150450.db2.gz FAEYXVKVQZUAER-UHFFFAOYSA-N -1 3 268.288 3.236 20 0 CGADHM COc1cccc([C@H]2C[C@H](NC(=O)c3ccccc3[O-])C2)c1 ZINC000456505116 374557448 /nfs/dbraw/zinc/55/74/48/374557448.db2.gz HDWZEPWWCDMCSL-HDJSIYSDSA-N -1 3 297.354 3.077 20 0 CGADHM CC(C)c1ccc(C(=O)N[C@@H](C)[C@@H]2CCCOC2)c([O-])c1 ZINC000334087801 374647358 /nfs/dbraw/zinc/64/73/58/374647358.db2.gz UDHOPCGHVGUTAC-GXTWGEPZSA-N -1 3 291.391 3.061 20 0 CGADHM O=C(NC[C@@H]1CCC(F)(F)C1)c1cc([O-])ccc1Cl ZINC000334451244 374763051 /nfs/dbraw/zinc/76/30/51/374763051.db2.gz VETDSPAUXMFZNG-MRVPVSSYSA-N -1 3 289.709 3.211 20 0 CGADHM Cc1cc([C@H]2CCCN2Cc2c(F)ccc([O-])c2F)on1 ZINC000334393443 374710471 /nfs/dbraw/zinc/71/04/71/374710471.db2.gz BAZTUNCSCIQJSH-GFCCVEGCSA-N -1 3 294.301 3.304 20 0 CGADHM CCc1cc(C(=O)N(C)C2CC(C)(C)C2)ccc1[O-] ZINC000458182199 374714666 /nfs/dbraw/zinc/71/46/66/374714666.db2.gz COTHALIPIAZLKA-UHFFFAOYSA-N -1 3 261.365 3.215 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)Cc2ccoc2)c1[O-] ZINC000185721255 374723057 /nfs/dbraw/zinc/72/30/57/374723057.db2.gz GTEPQLONDWZXHB-UHFFFAOYSA-N -1 3 265.696 3.128 20 0 CGADHM Cc1ccc(F)c(C(=O)Nc2cc(F)ccc2[O-])c1F ZINC000334516715 374813259 /nfs/dbraw/zinc/81/32/59/374813259.db2.gz UKAXRNKCWAZCDJ-UHFFFAOYSA-N -1 3 281.233 3.370 20 0 CGADHM C[C@H]1CC[C@@H](NC(=O)NCc2ccc([O-])c(F)c2)C[C@@H]1C ZINC000186261284 374823102 /nfs/dbraw/zinc/82/31/02/374823102.db2.gz SRGCNXBGTDFDNX-GMXVVIOVSA-N -1 3 294.370 3.155 20 0 CGADHM CO[C@H](C)CCC(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000186298037 374828407 /nfs/dbraw/zinc/82/84/07/374828407.db2.gz BWWSGISTQNBTIY-VXGBXAGGSA-N -1 3 277.364 3.048 20 0 CGADHM CCc1cc(C(=O)N[C@@]2(C)CC=CCC2)ccc1[O-] ZINC000458345872 374774453 /nfs/dbraw/zinc/77/44/53/374774453.db2.gz NJCXOSXOOSNJCT-INIZCTEOSA-N -1 3 259.349 3.183 20 0 CGADHM Cc1ccc(F)c(C(=O)Nc2ccccc2[O-])c1F ZINC000334475015 374780584 /nfs/dbraw/zinc/78/05/84/374780584.db2.gz LUSFMECVLASUMF-UHFFFAOYSA-N -1 3 263.243 3.231 20 0 CGADHM C[C@@H](c1c(F)cccc1F)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000263328175 296224067 /nfs/dbraw/zinc/22/40/67/296224067.db2.gz KYDGSRGVLOKNHS-OUAUKWLOSA-N -1 3 283.318 3.068 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])c1sccc1F ZINC000334256605 206265108 /nfs/dbraw/zinc/26/51/08/206265108.db2.gz PFIZHWUPEDCYKB-UHFFFAOYSA-N -1 3 271.700 3.499 20 0 CGADHM COC(=O)c1cnc(SCc2cccc(Cl)c2)[n-]1 ZINC000187591014 375050133 /nfs/dbraw/zinc/05/01/33/375050133.db2.gz VYBXJWLWDJCXKV-UHFFFAOYSA-N -1 3 282.752 3.142 20 0 CGADHM COC(=O)c1cnc(SCCc2ccccc2Cl)[n-]1 ZINC000187598448 375051791 /nfs/dbraw/zinc/05/17/91/375051791.db2.gz ZJAFERITTOJZQG-UHFFFAOYSA-N -1 3 296.779 3.185 20 0 CGADHM COCc1nocc1C(=O)[N-]c1csc2ccccc12 ZINC000487162971 375202705 /nfs/dbraw/zinc/20/27/05/375202705.db2.gz JBXMNTAUGLUUKJ-UHFFFAOYSA-N -1 3 288.328 3.288 20 0 CGADHM C[C@H]1C[C@H]1c1noc(Cc2ccc([O-])cc2Cl)n1 ZINC000335205282 375226829 /nfs/dbraw/zinc/22/68/29/375226829.db2.gz GKEQJMQBHDIJHP-OIBJUYFYSA-N -1 3 264.712 3.143 20 0 CGADHM C[C@H](CC1CCCCC1)[N-]S(=O)(=O)c1cccs1 ZINC000487342387 375231600 /nfs/dbraw/zinc/23/16/00/375231600.db2.gz RTCSCHKFWHKERM-LLVKDONJSA-N -1 3 287.450 3.385 20 0 CGADHM O=C(c1ccccc1[O-])N1CC2(CCC2)[C@H]1c1ccco1 ZINC000335445296 375300309 /nfs/dbraw/zinc/30/03/09/375300309.db2.gz NFJVXRFVTCTJDL-OAHLLOKOSA-N -1 3 283.327 3.353 20 0 CGADHM O=C(Cc1cccs1)Nc1ccc(Cl)cc1[O-] ZINC000334260062 206271520 /nfs/dbraw/zinc/27/15/20/206271520.db2.gz RHITUUXOSSYZGU-UHFFFAOYSA-N -1 3 267.737 3.288 20 0 CGADHM CC(C)c1n[nH]cc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000189208650 375342284 /nfs/dbraw/zinc/34/22/84/375342284.db2.gz IPPKNWICITWRRL-UHFFFAOYSA-N -1 3 279.727 3.144 20 0 CGADHM CC(C)c1[nH]ncc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000189208650 375342290 /nfs/dbraw/zinc/34/22/90/375342290.db2.gz IPPKNWICITWRRL-UHFFFAOYSA-N -1 3 279.727 3.144 20 0 CGADHM O=C(/C=C\C1CC1)Nc1ccc(Br)cc1[O-] ZINC000491903096 375362351 /nfs/dbraw/zinc/36/23/51/375362351.db2.gz HGKLTUUMDYMYBG-UTCJRWHESA-N -1 3 282.137 3.059 20 0 CGADHM Cc1ccncc1C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000335777781 375423476 /nfs/dbraw/zinc/42/34/76/375423476.db2.gz MOJDQFQACBVDFB-UHFFFAOYSA-N -1 3 296.248 3.367 20 0 CGADHM Cc1ccc([O-])c(C(=O)N[C@@H](C)c2ccc(Cl)cn2)c1 ZINC000189746079 375442862 /nfs/dbraw/zinc/44/28/62/375442862.db2.gz YFDGQNUFNRGLPE-JTQLQIEISA-N -1 3 290.750 3.240 20 0 CGADHM O=C([N-]c1cc(Cl)cc(F)c1F)c1cscn1 ZINC000335815854 375454352 /nfs/dbraw/zinc/45/43/52/375454352.db2.gz WDBQBTNSWCFQAY-UHFFFAOYSA-N -1 3 274.679 3.327 20 0 CGADHM Cc1ccc(C[S@@](=O)c2ccc([O-])cc2)cc1C ZINC000190545269 375518268 /nfs/dbraw/zinc/51/82/68/375518268.db2.gz JAKNZKFSDALOQK-GOSISDBHSA-N -1 3 260.358 3.317 20 0 CGADHM CCCCOc1ccc(C(=O)N2CC[C@H](CC)C2)c([O-])c1 ZINC000190614427 375525284 /nfs/dbraw/zinc/52/52/84/375525284.db2.gz OBBJNKGNEIHFBX-ZDUSSCGKSA-N -1 3 291.391 3.443 20 0 CGADHM CCCCCS(=O)(=O)c1nc(C)c(-c2ccccc2)[n-]1 ZINC000191082050 375573279 /nfs/dbraw/zinc/57/32/79/375573279.db2.gz LQVWHWDUNSSOCC-UHFFFAOYSA-N -1 3 292.404 3.349 20 0 CGADHM CCCCCS(=O)(=O)c1nc(-c2ccccc2)c(C)[n-]1 ZINC000191082050 375573282 /nfs/dbraw/zinc/57/32/82/375573282.db2.gz LQVWHWDUNSSOCC-UHFFFAOYSA-N -1 3 292.404 3.349 20 0 CGADHM Cc1cccc([O-])c1NC(=O)[C@H](C)c1ccc2c(c1)OCO2 ZINC000497156744 375582198 /nfs/dbraw/zinc/58/21/98/375582198.db2.gz ADNLMZYJCIDIAG-LLVKDONJSA-N -1 3 299.326 3.172 20 0 CGADHM O=C(Nc1ccccc1[O-])[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000335999790 375606972 /nfs/dbraw/zinc/60/69/72/375606972.db2.gz VQQXGRCCSTXFPD-JKSUJKDBSA-N -1 3 283.327 3.251 20 0 CGADHM NC(=O)[C@H]1CCC[C@H](C(=O)Nc2ccc(Cl)cc2[O-])C1 ZINC000336043554 375643342 /nfs/dbraw/zinc/64/33/42/375643342.db2.gz LZHALRCZTFMWSM-IUCAKERBSA-N -1 3 296.754 3.326 20 0 CGADHM O=C(Nc1ccccc1[O-])c1ncsc1C(F)(F)F ZINC000336141327 375720330 /nfs/dbraw/zinc/72/03/30/375720330.db2.gz DRJUJUWOHHYUIJ-UHFFFAOYSA-N -1 3 288.250 3.120 20 0 CGADHM Cc1cc(C(=O)N[C@@H](C)c2ccc(Cl)cn2)ccc1[O-] ZINC000336157122 375734397 /nfs/dbraw/zinc/73/43/97/375734397.db2.gz LZAOEPKGFBWOFY-JTQLQIEISA-N -1 3 290.750 3.240 20 0 CGADHM C[C@@H]1CCN([C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)C1 ZINC000516479554 375820362 /nfs/dbraw/zinc/82/03/62/375820362.db2.gz OHPRLVUUGXFQBV-PRHODGIISA-N -1 3 288.174 3.461 20 0 CGADHM CCc1oc(C(=O)[O-])cc1CN1CCC[C@@H](C)[C@@H]1C ZINC000516479359 375820402 /nfs/dbraw/zinc/82/04/02/375820402.db2.gz JIBRMOYPJZKBLK-MNOVXSKESA-N -1 3 265.353 3.161 20 0 CGADHM COc1ccc(C)cc1CC(=O)Nc1cccc([O-])c1F ZINC000534209811 375963152 /nfs/dbraw/zinc/96/31/52/375963152.db2.gz HOMIITGIMJKJSB-UHFFFAOYSA-N -1 3 289.306 3.030 20 0 CGADHM [O-]c1cccc(CNCCc2ccc(O)cc2)c1Cl ZINC000336892778 376022492 /nfs/dbraw/zinc/02/24/92/376022492.db2.gz JYFNNCRJHCTZEA-UHFFFAOYSA-N -1 3 277.751 3.084 20 0 CGADHM CCc1[n-][nH]c(=NC(=O)[C@H](C)CCCc2ccccc2)c1C ZINC000537329469 376162704 /nfs/dbraw/zinc/16/27/04/376162704.db2.gz LVUSSLPXKTYNSL-CYBMUJFWSA-N -1 3 299.418 3.300 20 0 CGADHM C[C@@H](c1ccc(F)c(Cl)c1)N1CC[C@](C)(C(=O)[O-])C1 ZINC000227825746 376411157 /nfs/dbraw/zinc/41/11/57/376411157.db2.gz XJKZQBUYCQOGGD-XPTSAGLGSA-N -1 3 285.746 3.337 20 0 CGADHM C[C@H](c1ccc(F)cc1)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000226456002 376361716 /nfs/dbraw/zinc/36/17/16/376361716.db2.gz KMZACFAVNOOZLS-OLZOCXBDSA-N -1 3 279.355 3.464 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])c1ncccc1Cl ZINC000334278064 206301148 /nfs/dbraw/zinc/30/11/48/206301148.db2.gz TZVRDYVFXXZSHV-UHFFFAOYSA-N -1 3 283.114 3.346 20 0 CGADHM Cc1cc(C(=O)N[C@H]2CCCC(F)(F)C2)ccc1[O-] ZINC000334328229 206377952 /nfs/dbraw/zinc/37/79/52/206377952.db2.gz MOSGZGXLQXPBLQ-NSHDSACASA-N -1 3 269.291 3.008 20 0 CGADHM CC[C@@H](CSC)N(C)C(=O)c1cc([O-])ccc1Cl ZINC000233879829 376605461 /nfs/dbraw/zinc/60/54/61/376605461.db2.gz HKWBTJKMELVWSD-VIFPVBQESA-N -1 3 287.812 3.259 20 0 CGADHM O=C([N-]c1cc(F)cc(F)c1F)c1conc1C1CC1 ZINC000334322505 206368411 /nfs/dbraw/zinc/36/84/11/206368411.db2.gz IYBZOSAUPKDERJ-UHFFFAOYSA-N -1 3 282.221 3.222 20 0 CGADHM CC[C@H]1CCCN1C(=O)c1cc([O-])ccc1Cl ZINC000234045559 376609275 /nfs/dbraw/zinc/60/92/75/376609275.db2.gz CVGLJAMDAPHYRW-VIFPVBQESA-N -1 3 253.729 3.060 20 0 CGADHM CN(CCC(F)(F)F)C(=O)c1cc([O-])ccc1Cl ZINC000234293502 376614761 /nfs/dbraw/zinc/61/47/61/376614761.db2.gz YJZDERLZMVMYFR-UHFFFAOYSA-N -1 3 281.661 3.070 20 0 CGADHM Cc1ccc(CN2CCCC[C@@H]2C(=O)[O-])cc1Cl ZINC000235871858 376653083 /nfs/dbraw/zinc/65/30/83/376653083.db2.gz BWLTVAFHVORCLO-CYBMUJFWSA-N -1 3 267.756 3.088 20 0 CGADHM O=C(Nc1ccccc1[O-])c1ccc(OC(F)F)c(F)c1 ZINC000339061579 376653992 /nfs/dbraw/zinc/65/39/92/376653992.db2.gz IVZASUSXXICQLV-UHFFFAOYSA-N -1 3 297.232 3.385 20 0 CGADHM CCCCN(CC(=O)[O-])Cc1ccccc1Cl ZINC000236725259 376685324 /nfs/dbraw/zinc/68/53/24/376685324.db2.gz MZVZYSKMBQFJBG-UHFFFAOYSA-N -1 3 255.745 3.027 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2ccc(Br)s2)n1 ZINC000339115016 376686609 /nfs/dbraw/zinc/68/66/09/376686609.db2.gz JJDMOKHZXRCORE-HYXAFXHYSA-N -1 3 297.177 3.485 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2cnc(-c3ccccn3)s2)n1 ZINC000339116554 376689298 /nfs/dbraw/zinc/68/92/98/376689298.db2.gz QPZPFUPLQCABFJ-WAYWQWQTSA-N -1 3 296.355 3.180 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2ccc(OCC(F)F)cc2)n1 ZINC000339116265 376689758 /nfs/dbraw/zinc/68/97/58/376689758.db2.gz ITRCMZYQFLOYEU-DAXSKMNVSA-N -1 3 292.285 3.305 20 0 CGADHM O=S(=O)([N-][C@H]1CCC[C@@H]1F)c1csc2ccccc21 ZINC000339118007 376692916 /nfs/dbraw/zinc/69/29/16/376692916.db2.gz CPACBMKAMRIMPL-QWRGUYRKSA-N -1 3 299.392 3.070 20 0 CGADHM CC(C)c1noc([N-]Cc2cn3cc(Cl)ccc3n2)n1 ZINC000264628794 190123929 /nfs/dbraw/zinc/12/39/29/190123929.db2.gz KILXPOXRLNEIII-UHFFFAOYSA-N -1 3 291.742 3.106 20 0 CGADHM CCCCO[C@@H](C)c1nc(-c2ccc([O-])c(OC)c2)no1 ZINC000264630644 190124033 /nfs/dbraw/zinc/12/40/33/190124033.db2.gz SPHVHJSTWOAIJI-JTQLQIEISA-N -1 3 292.335 3.329 20 0 CGADHM Cc1cccc(C(=O)N2CCC=C(c3ccccn3)C2)c1[O-] ZINC000557153778 376924213 /nfs/dbraw/zinc/92/42/13/376924213.db2.gz JOIHWJBIFINHPN-UHFFFAOYSA-N -1 3 294.354 3.025 20 0 CGADHM CO[C@](C)(C(=O)Nc1cc(F)ccc1[O-])c1ccccc1 ZINC000340327205 377002502 /nfs/dbraw/zinc/00/25/02/377002502.db2.gz DCGVSICDXUOAOW-INIZCTEOSA-N -1 3 289.306 3.032 20 0 CGADHM CC(C)CCC[C@@H](C)NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000561109569 377208200 /nfs/dbraw/zinc/20/82/00/377208200.db2.gz LRVGZVYUZINPED-LLVKDONJSA-N -1 3 291.395 3.004 20 0 CGADHM Cc1ccc(CC=CC(=O)N=c2cc3ccccn3[n-]2)cc1 ZINC000561153784 377210912 /nfs/dbraw/zinc/21/09/12/377210912.db2.gz MFQMBLMVOAHAPW-PLNGDYQASA-N -1 3 291.354 3.107 20 0 CGADHM CC[C@H](C)CN(C)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000264826332 190137227 /nfs/dbraw/zinc/13/72/27/190137227.db2.gz YKJRRZVOSHXSPC-NSHDSACASA-N -1 3 272.348 3.059 20 0 CGADHM C[C@@H]1CN(C(=O)c2ccccc2[O-])[C@H]2CCCC[C@@H]12 ZINC000248455039 377323717 /nfs/dbraw/zinc/32/37/17/377323717.db2.gz ZPQQARLNRCHFJN-DYEKYZERSA-N -1 3 259.349 3.043 20 0 CGADHM CCc1cc(C(=O)Nc2cccc(NC(C)=O)c2)ccc1[O-] ZINC000340938791 377329357 /nfs/dbraw/zinc/32/93/57/377329357.db2.gz ZYZWULJZNAFESB-UHFFFAOYSA-N -1 3 298.342 3.165 20 0 CGADHM CC[C@H]1CCCN([C@H](C)c2nc(C)cc(=O)[n-]2)CC1 ZINC000248748161 377394638 /nfs/dbraw/zinc/39/46/38/377394638.db2.gz NWBVPXLZYCJKDF-OLZOCXBDSA-N -1 3 263.385 3.064 20 0 CGADHM C[C@@H](c1ccc(C(=O)[O-])o1)N1CC(C)(C)C[C@@H]1C ZINC000563280218 377432832 /nfs/dbraw/zinc/43/28/32/377432832.db2.gz MDTPKXQTSBSONO-UWVGGRQHSA-N -1 3 251.326 3.159 20 0 CGADHM O=C(c1ccccc1[O-])N1CCC2(C1)CCCCC2 ZINC000266088691 296262314 /nfs/dbraw/zinc/26/23/14/296262314.db2.gz MDLMLLKZBCQXJX-UHFFFAOYSA-N -1 3 259.349 3.189 20 0 CGADHM C[C@H]1CC[C@H](NCc2cccc([O-])c2Br)C1 ZINC000315225334 249097639 /nfs/dbraw/zinc/09/76/39/249097639.db2.gz IUQCXOBBNKBUGF-ONGXEEELSA-N -1 3 284.197 3.433 20 0 CGADHM Cc1cc(C)cc([C@H](C)NCc2ncccc2[O-])c1 ZINC000514972323 249196304 /nfs/dbraw/zinc/19/63/04/249196304.db2.gz LZGXPNLUVCIBQG-ZDUSSCGKSA-N -1 3 256.349 3.255 20 0 CGADHM Cc1cc(C(=O)N=c2cc(C3(C)CCCC3)o[n-]2)oc1C ZINC000516620610 249239678 /nfs/dbraw/zinc/23/96/78/249239678.db2.gz BMXMLHOFMBTIMK-UHFFFAOYSA-N -1 3 288.347 3.390 20 0 CGADHM C[C@@H]1CCCC[C@@H]1CC(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000516384079 249232915 /nfs/dbraw/zinc/23/29/15/249232915.db2.gz FFXINXZRFHFEMN-GHMZBOCLSA-N -1 3 288.351 3.220 20 0 CGADHM C[C@@H]1CCCC[C@@H]1CC(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000516384079 249232917 /nfs/dbraw/zinc/23/29/17/249232917.db2.gz FFXINXZRFHFEMN-GHMZBOCLSA-N -1 3 288.351 3.220 20 0 CGADHM C[C@@H]1CCCC[C@@H]1CC(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000516384079 249232919 /nfs/dbraw/zinc/23/29/19/249232919.db2.gz FFXINXZRFHFEMN-GHMZBOCLSA-N -1 3 288.351 3.220 20 0 CGADHM CCCc1nnc([N-]C(=O)c2cnc(C3CC3)s2)s1 ZINC000517827099 249272068 /nfs/dbraw/zinc/27/20/68/249272068.db2.gz PQBZLRRUTXXODR-UHFFFAOYSA-N -1 3 294.405 3.077 20 0 CGADHM CCc1[n-][nH]c(=NC(=O)[C@@H]2CCC[C@H]2c2ccccc2)c1C ZINC000574010014 377607626 /nfs/dbraw/zinc/60/76/26/377607626.db2.gz ATJHAZPFKUVZJL-LSDHHAIUSA-N -1 3 297.402 3.225 20 0 CGADHM O=C(NCc1ccc([O-])c(F)c1)[C@@H]1CCCc2ccccc21 ZINC000265796121 190207227 /nfs/dbraw/zinc/20/72/27/190207227.db2.gz MFSWKZWZXYCLKQ-OAHLLOKOSA-N -1 3 299.345 3.268 20 0 CGADHM CCN(CCC(=O)[O-])Cc1c(Cl)ccc2cccnc21 ZINC000574332638 377649715 /nfs/dbraw/zinc/64/97/15/377649715.db2.gz UHXFKAZVVIRZBI-UHFFFAOYSA-N -1 3 292.766 3.185 20 0 CGADHM C[C@@H]1CCN([C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)C1 ZINC000574458237 377665558 /nfs/dbraw/zinc/66/55/58/377665558.db2.gz BNSDAAMTNJPHNG-PELKAZGASA-N -1 3 288.174 3.461 20 0 CGADHM C[C@@H]1CCC[C@@H](NC(=O)c2c[n-]c3ccccc3c2=O)[C@H]1C ZINC000253613150 377704050 /nfs/dbraw/zinc/70/40/50/377704050.db2.gz PXCMVLFTMYGTKR-TYNCELHUSA-N -1 3 298.386 3.495 20 0 CGADHM C[C@@H](N[C@@H](C)c1ncc(-c2ccccc2)o1)[C@H](C)C(=O)[O-] ZINC000574996210 377737387 /nfs/dbraw/zinc/73/73/87/377737387.db2.gz ZOUCTJKKBGLKLG-TUAOUCFPSA-N -1 3 288.347 3.101 20 0 CGADHM CCCCCN(C(=O)/C=C\c1cncc([O-])c1)C(C)C ZINC000255540124 377765140 /nfs/dbraw/zinc/76/51/40/377765140.db2.gz IKZIYUBVOXTXBV-FPLPWBNLSA-N -1 3 276.380 3.228 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2scnc2C2CC2)c1 ZINC000342869913 377849064 /nfs/dbraw/zinc/84/90/64/377849064.db2.gz HZKTXUHSKUKCQK-UHFFFAOYSA-N -1 3 274.345 3.287 20 0 CGADHM C[C@H](c1cccc(Cl)c1)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000263140430 377921086 /nfs/dbraw/zinc/92/10/86/377921086.db2.gz DONOXJADPDGSFU-WZRBSPASSA-N -1 3 281.783 3.444 20 0 CGADHM O=C([O-])[C@@H]1CCCCN1CCCc1c(F)cccc1Cl ZINC000263406400 377932223 /nfs/dbraw/zinc/93/22/23/377932223.db2.gz JZAQEJCOHLPJRK-AWEZNQCLSA-N -1 3 299.773 3.351 20 0 CGADHM O=C([O-])[C@@H]1CCCN(Cc2c(Cl)oc3ccccc32)C1 ZINC000263400550 377932551 /nfs/dbraw/zinc/93/25/51/377932551.db2.gz HVAKQRJGMABOFP-SNVBAGLBSA-N -1 3 293.750 3.383 20 0 CGADHM Cc1cc(Cl)cc(CN2C[C@H](C(=O)[O-])CC[C@H]2C)c1 ZINC000263507008 377943319 /nfs/dbraw/zinc/94/33/19/377943319.db2.gz MIEXFDHCLJKAGR-DGCLKSJQSA-N -1 3 281.783 3.334 20 0 CGADHM C[C@@H]1CCCCN1Cc1ccc(C(=O)[O-])c(Cl)c1 ZINC000575755147 377986785 /nfs/dbraw/zinc/98/67/85/377986785.db2.gz BSHHJSPAZUOIER-SNVBAGLBSA-N -1 3 267.756 3.413 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2C(C)(C)C)o1 ZINC000575823221 377993229 /nfs/dbraw/zinc/99/32/29/377993229.db2.gz UNXYYSOCTMNVKU-CHWSQXEVSA-N -1 3 299.436 3.471 20 0 CGADHM CS[C@@H]1CCCCN([C@H](C)c2ccc(C(=O)[O-])o2)C1 ZINC000578076703 378036835 /nfs/dbraw/zinc/03/68/35/378036835.db2.gz VQCNBJBAHPUAEC-GHMZBOCLSA-N -1 3 283.393 3.256 20 0 CGADHM Cc1oc(CN(C)CCc2ccc(F)cc2)cc1C(=O)[O-] ZINC000578242033 378050421 /nfs/dbraw/zinc/05/04/21/378050421.db2.gz GQYBRQVSJDIEST-UHFFFAOYSA-N -1 3 291.322 3.100 20 0 CGADHM Cc1ncc(CSCc2cc(=O)[n-]c(C3CC3)n2)s1 ZINC000579334209 378151407 /nfs/dbraw/zinc/15/14/07/378151407.db2.gz JGRSBPAIYFZJLM-UHFFFAOYSA-N -1 3 293.417 3.258 20 0 CGADHM CCC[C@H](C(=O)[O-])N(CC)Cc1c(F)cccc1F ZINC000578898587 378110386 /nfs/dbraw/zinc/11/03/86/378110386.db2.gz BFAYALQQYYVDKU-CYBMUJFWSA-N -1 3 271.307 3.040 20 0 CGADHM C[C@@H]1CCN(C/C=C\c2ccc(F)cc2F)C[C@@H]1C(=O)[O-] ZINC000580074968 378221903 /nfs/dbraw/zinc/22/19/03/378221903.db2.gz PQCKTKFFIGUWRA-USXUBVMZSA-N -1 3 295.329 3.021 20 0 CGADHM CC[C@@H](C)N(C)Cc1oc(-c2ccccc2)nc1C(=O)[O-] ZINC000579603343 378175156 /nfs/dbraw/zinc/17/51/56/378175156.db2.gz RJEFKQQDQGTOAK-LLVKDONJSA-N -1 3 288.347 3.270 20 0 CGADHM CCN(Cc1cccs1)[C@@H](CC(C)C)C(=O)[O-] ZINC000580206078 378231471 /nfs/dbraw/zinc/23/14/71/378231471.db2.gz OHIQYIMCHJAOAF-LBPRGKRZSA-N -1 3 255.383 3.069 20 0 CGADHM CN(CCCOc1ccccc1)Cc1ccccc1C(=O)[O-] ZINC000580719743 378252393 /nfs/dbraw/zinc/25/23/93/378252393.db2.gz NQXRMPPNIOZQQW-UHFFFAOYSA-N -1 3 299.370 3.286 20 0 CGADHM CCOc1nc2ccc(C(=O)Nc3ccccc3)cc2[n-]1 ZINC000345637889 378330310 /nfs/dbraw/zinc/33/03/10/378330310.db2.gz HJCXOGYZRSVLNH-UHFFFAOYSA-N -1 3 281.315 3.214 20 0 CGADHM CCOc1nc2cc(C(=O)Nc3ccccc3)ccc2[n-]1 ZINC000345637889 378330312 /nfs/dbraw/zinc/33/03/12/378330312.db2.gz HJCXOGYZRSVLNH-UHFFFAOYSA-N -1 3 281.315 3.214 20 0 CGADHM O=C([O-])CCCCCN1CCSC[C@H]1c1ccccc1 ZINC000583636390 378337074 /nfs/dbraw/zinc/33/70/74/378337074.db2.gz VBWIAJDICRFZGZ-HNNXBMFYSA-N -1 3 293.432 3.422 20 0 CGADHM [O-]c1cccnc1CN(CCc1cccc(F)c1)C1CC1 ZINC000583838895 378350184 /nfs/dbraw/zinc/35/01/84/378350184.db2.gz JMMJUIQCHCIFDJ-UHFFFAOYSA-N -1 3 286.350 3.133 20 0 CGADHM Cc1ccc([O-])c(C(=O)N[C@H]2CCO[C@@H](C(C)(C)C)C2)c1 ZINC000270889577 378410124 /nfs/dbraw/zinc/41/01/24/378410124.db2.gz MNZHPDRYVCPSBO-SWLSCSKDSA-N -1 3 291.391 3.024 20 0 CGADHM Cc1ccc([O-])c(NC(=O)C[C@H](C)c2ccccc2F)n1 ZINC000345934845 378413244 /nfs/dbraw/zinc/41/32/44/378413244.db2.gz IPNMWAXWVPXLBD-JTQLQIEISA-N -1 3 288.322 3.367 20 0 CGADHM Cc1ccc([O-])c(NC(=O)C[C@@H](C)c2ccccc2F)n1 ZINC000345934846 378413700 /nfs/dbraw/zinc/41/37/00/378413700.db2.gz IPNMWAXWVPXLBD-SNVBAGLBSA-N -1 3 288.322 3.367 20 0 CGADHM O=C(CCCc1ccc([O-])c(F)c1)Nc1ccc(O)cc1 ZINC000345848343 378386028 /nfs/dbraw/zinc/38/60/28/378386028.db2.gz AQNIJMMSPDUVIJ-UHFFFAOYSA-N -1 3 289.306 3.198 20 0 CGADHM CC(C)c1noc([N-]Cc2cc(-c3ccccc3)no2)n1 ZINC000271655933 378500288 /nfs/dbraw/zinc/50/02/88/378500288.db2.gz UASWCUASONWIIM-UHFFFAOYSA-N -1 3 284.319 3.460 20 0 CGADHM [O-]C(=NOC1CCCC1)Nc1ccc(-c2ncco2)cc1 ZINC000272139715 378571577 /nfs/dbraw/zinc/57/15/77/378571577.db2.gz WHILOMNJANORIA-UHFFFAOYSA-N -1 3 287.319 3.337 20 0 CGADHM O=C([N-]OC1CCCC1)Nc1ccc(-c2ncco2)cc1 ZINC000272139715 378571583 /nfs/dbraw/zinc/57/15/83/378571583.db2.gz WHILOMNJANORIA-UHFFFAOYSA-N -1 3 287.319 3.337 20 0 CGADHM CC(C)[C@H]1CCN1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000346590260 378636056 /nfs/dbraw/zinc/63/60/56/378636056.db2.gz GXMDMCREZFUHFX-CQSZACIVSA-N -1 3 279.355 3.111 20 0 CGADHM Cc1cc(C(=O)N2CCC[C@H]2C2CCC2)ccc1[O-] ZINC000272535909 378659417 /nfs/dbraw/zinc/65/94/17/378659417.db2.gz XJNMORBREKUTAC-AWEZNQCLSA-N -1 3 259.349 3.105 20 0 CGADHM CCC[C@H](NCc1cnc(C)[n-]c1=O)c1ccccc1 ZINC000346797941 218016330 /nfs/dbraw/zinc/01/63/30/218016330.db2.gz OYEWBSMZGGVKRG-HNNXBMFYSA-N -1 3 271.364 3.122 20 0 CGADHM O=C(C/C=C/c1ccc(F)cc1)[N-]OCCC(F)(F)F ZINC000275239719 378951883 /nfs/dbraw/zinc/95/18/83/378951883.db2.gz RSABDXLLOGUIIX-OWOJBTEDSA-N -1 3 291.244 3.229 20 0 CGADHM CC[C@@H]1[C@@H](C)CCN1C(=O)c1cc([O-])ccc1Cl ZINC000347238108 218163805 /nfs/dbraw/zinc/16/38/05/218163805.db2.gz XNSUUQWQUCWORQ-TVQRCGJNSA-N -1 3 267.756 3.306 20 0 CGADHM CC[C@H]1CCC[C@@H](CNCc2cc(C(=O)[O-])co2)C1 ZINC000277029012 379047383 /nfs/dbraw/zinc/04/73/83/379047383.db2.gz PMFFBLNHXVZJJL-NWDGAFQWSA-N -1 3 265.353 3.284 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2csc(Cl)c2)n1 ZINC000348787893 379054359 /nfs/dbraw/zinc/05/43/59/379054359.db2.gz UTBGTXSGKIHOBD-UHFFFAOYSA-N -1 3 268.725 3.063 20 0 CGADHM CC[C@H](NC(=O)c1csc(=O)[n-]1)c1ccc(F)cc1F ZINC000348882986 379098413 /nfs/dbraw/zinc/09/84/13/379098413.db2.gz BJJRRITYKAASOX-JTQLQIEISA-N -1 3 298.314 3.008 20 0 CGADHM C[C@H](CCCC(=O)[O-])NCc1c(F)cccc1Cl ZINC000277309428 379127765 /nfs/dbraw/zinc/12/77/65/379127765.db2.gz NGNQSQRCKDWAHI-SECBINFHSA-N -1 3 273.735 3.212 20 0 CGADHM COc1cc(C)c(NCc2nc(C)ccc2[O-])cc1C ZINC000277793855 379236683 /nfs/dbraw/zinc/23/66/83/379236683.db2.gz WPWBLMOEVHUNGI-UHFFFAOYSA-N -1 3 272.348 3.333 20 0 CGADHM CCOc1cc(-c2noc(CC(C)C)n2)ccc1[O-] ZINC000278045581 379284714 /nfs/dbraw/zinc/28/47/14/379284714.db2.gz KYNZZPWHVHXADI-UHFFFAOYSA-N -1 3 262.309 3.039 20 0 CGADHM Cn1ccc(-c2noc(Cc3ccc([O-])cc3Cl)n2)c1 ZINC000347571489 218276709 /nfs/dbraw/zinc/27/67/09/218276709.db2.gz WZQWHZMWEYSYHT-UHFFFAOYSA-N -1 3 289.722 3.025 20 0 CGADHM CCCCn1cc(CNCc2cc([O-])cc(F)c2)c(C)n1 ZINC000349664314 379335953 /nfs/dbraw/zinc/33/59/53/379335953.db2.gz GKVZKWQOVRZEKU-UHFFFAOYSA-N -1 3 291.370 3.126 20 0 CGADHM O=C([N-]OC1CCCC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000278405698 379374589 /nfs/dbraw/zinc/37/45/89/379374589.db2.gz OKAQZRMLWQCVHE-NXEZZACHSA-N -1 3 285.796 3.495 20 0 CGADHM O=C(Nc1nc(C2CCC2)cs1)c1c([O-])cccc1O ZINC000278400148 379375670 /nfs/dbraw/zinc/37/56/70/379375670.db2.gz GMKODLTUUQISJG-UHFFFAOYSA-N -1 3 290.344 3.074 20 0 CGADHM O=C(Nc1ccccc1[O-])c1ccccc1OC1CC1 ZINC000349724617 379359902 /nfs/dbraw/zinc/35/99/02/379359902.db2.gz SSRRQKIKJYHABB-UHFFFAOYSA-N -1 3 269.300 3.186 20 0 CGADHM CO[C@@H]1CCC[C@@H](CC(=O)Nc2ccc(C)cc2[O-])C1 ZINC000279630968 379474911 /nfs/dbraw/zinc/47/49/11/379474911.db2.gz KVWVNOXAOMLSOA-CHWSQXEVSA-N -1 3 277.364 3.234 20 0 CGADHM CS(=O)(=O)[N-]c1ccccc1-c1c(F)cccc1F ZINC000376331887 379540498 /nfs/dbraw/zinc/54/04/98/379540498.db2.gz ACDIXCKVRASPIT-UHFFFAOYSA-N -1 3 283.299 3.003 20 0 CGADHM CC[C@H](Oc1ccccc1F)C(=O)[N-]c1onc(C)c1C ZINC000267171368 190308930 /nfs/dbraw/zinc/30/89/30/190308930.db2.gz HSUZEFMTOVLIDE-LBPRGKRZSA-N -1 3 292.310 3.227 20 0 CGADHM CSCCON=C([O-])Nc1ccccc1OCC(C)C ZINC000280657750 379758167 /nfs/dbraw/zinc/75/81/67/379758167.db2.gz ZWLUWHLIUZSUJP-UHFFFAOYSA-N -1 3 298.408 3.138 20 0 CGADHM CSCCO[N-]C(=O)Nc1ccccc1OCC(C)C ZINC000280657750 379758171 /nfs/dbraw/zinc/75/81/71/379758171.db2.gz ZWLUWHLIUZSUJP-UHFFFAOYSA-N -1 3 298.408 3.138 20 0 CGADHM CS[C@@H](C)CCC(=O)Nc1c(C)cccc1[O-] ZINC000352644305 379889013 /nfs/dbraw/zinc/88/90/13/379889013.db2.gz NAFQFMLZHRAJDP-JTQLQIEISA-N -1 3 253.367 3.171 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)[C@@H]2C[C@@H]2C)c1-c1ccc(Cl)cc1 ZINC000641247628 379980198 /nfs/dbraw/zinc/98/01/98/379980198.db2.gz DEIRVEOKQHOQHK-QPUJVOFHSA-N -1 3 289.766 3.055 20 0 CGADHM CC(C)c1nnc(C(=O)[N-]c2ccc(F)cc2F)s1 ZINC000282926213 380013659 /nfs/dbraw/zinc/01/36/59/380013659.db2.gz JENVEOUUQISLQX-UHFFFAOYSA-N -1 3 283.303 3.192 20 0 CGADHM CC(C)CN(CCC(=O)[O-])Cc1sccc1Cl ZINC000571453229 322299308 /nfs/dbraw/zinc/29/93/08/322299308.db2.gz OELUDLYMRNUWLY-UHFFFAOYSA-N -1 3 275.801 3.334 20 0 CGADHM [O-]c1ccc(F)c(CN2CCC[C@H](OCC3CC3)C2)c1F ZINC000352973527 380060997 /nfs/dbraw/zinc/06/09/97/380060997.db2.gz MKBKJFYQRHOIAZ-LBPRGKRZSA-N -1 3 297.345 3.061 20 0 CGADHM CCCC(O)(CCC)CC(=O)Nc1ccc(C)cc1[O-] ZINC000268100891 190376641 /nfs/dbraw/zinc/37/66/41/190376641.db2.gz WSPUPPVTNOEIFK-UHFFFAOYSA-N -1 3 279.380 3.361 20 0 CGADHM C[C@@H]1CC[C@@H](N(C)Cc2c(F)ccc([O-])c2F)C1 ZINC000353209610 380169725 /nfs/dbraw/zinc/16/97/25/380169725.db2.gz ZLQIZXLWIZRKFN-NXEZZACHSA-N -1 3 255.308 3.291 20 0 CGADHM COc1ccccc1COc1cc2occ([O-])c2c(C)c1 ZINC000642610144 380181209 /nfs/dbraw/zinc/18/12/09/380181209.db2.gz XGXYIEVCHHLISK-UHFFFAOYSA-N -1 3 284.311 3.158 20 0 CGADHM CCOc1nc2ccc(-c3nc([C@H]4C[C@H]4C)no3)cc2[n-]1 ZINC000643107694 380213951 /nfs/dbraw/zinc/21/39/51/380213951.db2.gz OGCZOLNXCBWAKD-SCZZXKLOSA-N -1 3 284.319 3.135 20 0 CGADHM CO[C@H](CSc1n[n-]c(-c2ccccn2)n1)CC(C)C ZINC000416925142 380552648 /nfs/dbraw/zinc/55/26/48/380552648.db2.gz PVVWPIDXKXNMFX-NSHDSACASA-N -1 3 292.408 3.020 20 0 CGADHM Cc1ccc(NCc2cc(=O)[n-]c(C3CC3)n2)cc1C ZINC000417001523 380557944 /nfs/dbraw/zinc/55/79/44/380557944.db2.gz MURIZHDACDXGRN-UHFFFAOYSA-N -1 3 269.348 3.289 20 0 CGADHM O=c1cc(CNc2ccc(Cl)c(F)c2)nc(C2CC2)[n-]1 ZINC000417013927 380560799 /nfs/dbraw/zinc/56/07/99/380560799.db2.gz ZGYXSBWPAHJJPO-UHFFFAOYSA-N -1 3 293.729 3.464 20 0 CGADHM Cc1c(F)c(F)ccc1NCc1cc(=O)[n-]c(C2CC2)n1 ZINC000417070382 380565503 /nfs/dbraw/zinc/56/55/03/380565503.db2.gz GHTAPGCPXLYKTG-UHFFFAOYSA-N -1 3 291.301 3.258 20 0 CGADHM O=C([O-])[C@H]1CCCCCC[C@@H]1NCc1ccc(Cl)o1 ZINC000417559032 380638754 /nfs/dbraw/zinc/63/87/54/380638754.db2.gz HDQSUEDJEQLKEQ-RYUDHWBXSA-N -1 3 285.771 3.446 20 0 CGADHM CC(C)c1cnc(CN[C@H]2CCCC[C@@]2(C)C(=O)[O-])s1 ZINC000417572763 380641946 /nfs/dbraw/zinc/64/19/46/380641946.db2.gz GMJNLCRKWAFNTL-SWLSCSKDSA-N -1 3 296.436 3.390 20 0 CGADHM O=C([O-])C[C@H](CNCc1ccccc1Cl)C(F)(F)F ZINC000417617435 380653866 /nfs/dbraw/zinc/65/38/66/380653866.db2.gz BVWUFHCZDBFNBS-SECBINFHSA-N -1 3 295.688 3.083 20 0 CGADHM Cc1ccc(C)c(CNC[C@@H](CC(=O)[O-])C(F)(F)F)c1 ZINC000417621227 380655088 /nfs/dbraw/zinc/65/50/88/380655088.db2.gz HAZMCIIRUBLLIR-GFCCVEGCSA-N -1 3 289.297 3.046 20 0 CGADHM CC[C@@H](CCC(=O)[O-])NCc1c(Cl)cccc1OC ZINC000417630376 380658067 /nfs/dbraw/zinc/65/80/67/380658067.db2.gz WKSLZABFLBYREY-JTQLQIEISA-N -1 3 285.771 3.082 20 0 CGADHM Cc1ccc(C)c([C@@H](C)N(C)C(=O)c2csc(=O)[n-]2)c1 ZINC000334775246 207055538 /nfs/dbraw/zinc/05/55/38/207055538.db2.gz QKZOFSUUWIFTHU-LLVKDONJSA-N -1 3 290.388 3.299 20 0 CGADHM Cc1ccc2c(C(=O)NCc3ncccc3[O-])csc2c1 ZINC000360300622 381509423 /nfs/dbraw/zinc/50/94/23/381509423.db2.gz NVGANECDHWBYRX-UHFFFAOYSA-N -1 3 298.367 3.240 20 0 CGADHM O=C(Nc1ccccc1[O-])C1(C(F)(F)F)CCCC1 ZINC000334876145 207227718 /nfs/dbraw/zinc/22/77/18/207227718.db2.gz OXDWQPDWONTNMI-UHFFFAOYSA-N -1 3 273.254 3.453 20 0 CGADHM CC[C@H](C)n1ncc(NC(=O)c2cccc([O-])c2)c1C ZINC000361304499 381685773 /nfs/dbraw/zinc/68/57/73/381685773.db2.gz JIALLNWRFMAFJL-JTQLQIEISA-N -1 3 273.336 3.120 20 0 CGADHM CC(C)c1cc(C(=O)[N-]c2nccc(-c3ccco3)n2)on1 ZINC000362167408 381895414 /nfs/dbraw/zinc/89/54/14/381895414.db2.gz MEQGJPUQEVWHQU-UHFFFAOYSA-N -1 3 298.302 3.100 20 0 CGADHM Cc1csc(C(=O)Nc2nc(C)ccc2[O-])c1Cl ZINC000362143381 381888086 /nfs/dbraw/zinc/88/80/86/381888086.db2.gz LBKFZWXUVMVWPX-UHFFFAOYSA-N -1 3 282.752 3.371 20 0 CGADHM CCC(CC)CNC(=O)c1cc([O-])ccc1Cl ZINC000232878478 542306831 /nfs/dbraw/zinc/30/68/31/542306831.db2.gz JDZKPLHARZZWQO-UHFFFAOYSA-N -1 3 255.745 3.212 20 0 CGADHM COc1cccc(C(=O)N2CC[C@@]3(CC[C@@H](C)C3)C2)c1[O-] ZINC000335289173 208113566 /nfs/dbraw/zinc/11/35/66/208113566.db2.gz FCCCBBYZGVROMM-SJKOYZFVSA-N -1 3 289.375 3.053 20 0 CGADHM COC1CCC(C)(CNC(=O)c2ccc(C)cc2[O-])CC1 ZINC000436845867 533035538 /nfs/dbraw/zinc/03/55/38/533035538.db2.gz ANUUHDRMTUXDRA-UHFFFAOYSA-N -1 3 291.391 3.026 20 0 CGADHM CC(C)[C@H]1N(Cc2cc([O-])cc(F)c2)CC1(C)C ZINC000353745268 220297499 /nfs/dbraw/zinc/29/74/99/220297499.db2.gz IDTJXJPNUGEKTL-CQSZACIVSA-N -1 3 251.345 3.398 20 0 CGADHM O=c1nc(-c2ccco2)[n-]c2sc3c(c21)CCSC3 ZINC000047682178 285194487 /nfs/dbraw/zinc/19/44/87/285194487.db2.gz OOAMGKJOLNTSLE-UHFFFAOYSA-N -1 3 290.369 3.034 20 0 CGADHM C[C@H]1SCC[C@H]1NCc1cccc([O-])c1Cl ZINC000328196891 542442547 /nfs/dbraw/zinc/44/25/47/542442547.db2.gz FDJPEHXIPQPQSY-PSASIEDQSA-N -1 3 257.786 3.029 20 0 CGADHM O=C(Nc1ccc([O-])cc1F)[C@H]1CC[C@@H](C(F)(F)F)C1 ZINC000334435802 542456765 /nfs/dbraw/zinc/45/67/65/542456765.db2.gz PIQSTIAAFVEJBN-JGVFFNPUSA-N -1 3 291.244 3.448 20 0 CGADHM C[C@H]1CN(C(=O)c2cc([O-])c3ccccc3c2)[C@H]1C ZINC000335972204 542473403 /nfs/dbraw/zinc/47/34/03/542473403.db2.gz YOPOYASIGZPGJX-QWRGUYRKSA-N -1 3 255.317 3.026 20 0 CGADHM CN(CCOCC1CC1)C(=O)c1cc([O-])c2ccccc2c1 ZINC000350112766 542530497 /nfs/dbraw/zinc/53/04/97/542530497.db2.gz GEIRXDGYFMZXII-UHFFFAOYSA-N -1 3 299.370 3.044 20 0 CGADHM CC(C)Oc1ccc(-c2nc3ccc(O)cc3c(=O)[n-]2)cc1 ZINC000351863482 542551829 /nfs/dbraw/zinc/55/18/29/542551829.db2.gz UCTVTPWYCJDWQY-UHFFFAOYSA-N -1 3 296.326 3.083 20 0 CGADHM [O-]c1cc(F)cc(CN2CCC(c3ccncc3)CC2)c1 ZINC000289845521 285381296 /nfs/dbraw/zinc/38/12/96/285381296.db2.gz PQOBIOKLWTZTTM-UHFFFAOYSA-N -1 3 286.350 3.306 20 0 CGADHM [O-]c1cccc(CN[C@@H]2CCCSC2)c1Cl ZINC000293513882 285391802 /nfs/dbraw/zinc/39/18/02/285391802.db2.gz IGZUPGQBHXFGDI-SNVBAGLBSA-N -1 3 257.786 3.031 20 0 CGADHM COc1ccc(C(=O)N(C)[C@H](C)C2CCCCC2)c([O-])c1 ZINC000436637611 533285114 /nfs/dbraw/zinc/28/51/14/533285114.db2.gz XFBRHNMVDYDNRF-GFCCVEGCSA-N -1 3 291.391 3.442 20 0 CGADHM COc1ccc(C(=O)N[C@H]2C[C@H]2C2CCCCC2)c([O-])c1 ZINC000436930801 533344804 /nfs/dbraw/zinc/34/48/04/533344804.db2.gz IODVBVKNBCXBFU-GJZGRUSLSA-N -1 3 289.375 3.099 20 0 CGADHM COc1cc(-c2noc(-c3cccc(C)c3[O-])n2)cc(C)n1 ZINC000436785346 533456152 /nfs/dbraw/zinc/45/61/52/533456152.db2.gz OLAJAWVYOKHKMC-UHFFFAOYSA-N -1 3 297.314 3.130 20 0 CGADHM C[C@@H](CCC(=O)[O-])CNCc1c(F)cccc1Cl ZINC000426655731 533515288 /nfs/dbraw/zinc/51/52/88/533515288.db2.gz FHUFUEJXTFKYSL-VIFPVBQESA-N -1 3 273.735 3.070 20 0 CGADHM Cc1ccc(C(=O)N[C@H](C)c2cccc(O)c2)c([O-])c1C ZINC000436568424 533590767 /nfs/dbraw/zinc/59/07/67/533590767.db2.gz XJPUVTAOCYTEGR-GFCCVEGCSA-N -1 3 285.343 3.206 20 0 CGADHM Cc1ccc(C(=O)N[C@H](C)c2cccc(F)c2F)c([O-])c1 ZINC000436867567 533592538 /nfs/dbraw/zinc/59/25/38/533592538.db2.gz DDMHXGCKEPTRFB-SNVBAGLBSA-N -1 3 291.297 3.470 20 0 CGADHM COc1ccc(CN2CCC[C@@H](C)[C@H]2C(=O)[O-])cc1Cl ZINC000424262178 533557050 /nfs/dbraw/zinc/55/70/50/533557050.db2.gz DGDPMCPYOLWXAY-YGRLFVJLSA-N -1 3 297.782 3.034 20 0 CGADHM Cc1ccc(C(=O)Nc2cccc(CCCO)c2)c([O-])c1C ZINC000436714588 533615326 /nfs/dbraw/zinc/61/53/26/533615326.db2.gz GJFVUNPKPARNDE-UHFFFAOYSA-N -1 3 299.370 3.186 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)[C@]2(C)C[C@H]3CC[C@@H]2O3)c1[O-] ZINC000189808547 130025108 /nfs/dbraw/zinc/02/51/08/130025108.db2.gz PXJAJRPYZHRXSZ-IFUGULHKSA-N -1 3 295.766 3.250 20 0 CGADHM Cc1oc(C(=O)[O-])cc1CN(C)[C@@H](C)c1ccccc1 ZINC000383876115 542601081 /nfs/dbraw/zinc/60/10/81/542601081.db2.gz VLAWCAZXSZLQMV-NSHDSACASA-N -1 3 273.332 3.479 20 0 CGADHM C[C@@H]1CCCC[C@@H]1CN1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000394873628 542614736 /nfs/dbraw/zinc/61/47/36/542614736.db2.gz BBZXOMBLOVRAQB-CPUCHLNUSA-N -1 3 287.403 3.497 20 0 CGADHM CC(C)c1ccc(C(=O)N2CCC[C@H](C)C2)c([O-])c1 ZINC000048379358 391998858 /nfs/dbraw/zinc/99/88/58/391998858.db2.gz GVXDTQRYEFCXSC-LBPRGKRZSA-N -1 3 261.365 3.388 20 0 CGADHM Cc1ccc(C(=O)Nc2cccc(F)c2)c([O-])c1C ZINC000048552440 392003213 /nfs/dbraw/zinc/00/32/13/392003213.db2.gz KXPKLEMKEWGERS-UHFFFAOYSA-N -1 3 259.280 3.400 20 0 CGADHM O=C([O-])C[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000054300324 392090570 /nfs/dbraw/zinc/09/05/70/392090570.db2.gz REDGOKSTHJWHMK-NSHDSACASA-N -1 3 267.756 3.027 20 0 CGADHM O=C(N[C@@H]1CCc2cc(Cl)ccc21)c1ccccc1[O-] ZINC000049351306 392044817 /nfs/dbraw/zinc/04/48/17/392044817.db2.gz RBZVSEDXYUVHSD-CQSZACIVSA-N -1 3 287.746 3.463 20 0 CGADHM COc1cccc(C(=O)N(C)[C@H]2CCCC[C@H]2C)c1[O-] ZINC000055482067 392099266 /nfs/dbraw/zinc/09/92/66/392099266.db2.gz WOVYZPXFDDEBEG-YPMHNXCESA-N -1 3 277.364 3.052 20 0 CGADHM COc1ccc(NC(=O)CCCC(F)(F)F)c([O-])c1 ZINC000442697226 542665764 /nfs/dbraw/zinc/66/57/64/542665764.db2.gz UJPAAWITFLIJBZ-UHFFFAOYSA-N -1 3 277.242 3.072 20 0 CGADHM COC[C@H]1CCCCN1C(=O)c1cc([O-])c2ccccc2c1 ZINC000456972612 542689284 /nfs/dbraw/zinc/68/92/84/542689284.db2.gz UTHIVBMDULRGDE-OAHLLOKOSA-N -1 3 299.370 3.187 20 0 CGADHM O[C@H]1CCCC[C@H]1[N-]c1nc(-c2cccc(Cl)c2)no1 ZINC000301398589 392589148 /nfs/dbraw/zinc/58/91/48/392589148.db2.gz HMZBDJKTRAPWSC-NEPJUHHUSA-N -1 3 293.754 3.105 20 0 CGADHM [O-]c1ccc(-c2noc([C@@H]3COc4ccccc4C3)n2)cc1 ZINC000315723031 392669498 /nfs/dbraw/zinc/66/94/98/392669498.db2.gz ICZRRCZRTNHHQZ-ZDUSSCGKSA-N -1 3 294.310 3.161 20 0 CGADHM C[C@H](CCC(=O)[O-])NCc1cccc(Cl)c1Cl ZINC000309912673 392657637 /nfs/dbraw/zinc/65/76/37/392657637.db2.gz MTCWGPFHAALPTO-MRVPVSSYSA-N -1 3 276.163 3.336 20 0 CGADHM Cc1ccc([O-])c(C(=O)N[C@H]2CCc3c2cccc3F)c1 ZINC000509114638 392737853 /nfs/dbraw/zinc/73/78/53/392737853.db2.gz XILWDTCTKVMYBL-HNNXBMFYSA-N -1 3 285.318 3.257 20 0 CGADHM CC1=C(c2nc(-c3cc(=O)[n-]cn3)no2)CCC(C)(C)C1 ZINC000647418391 392721532 /nfs/dbraw/zinc/72/15/32/392721532.db2.gz WETOAGXQQMCWME-UHFFFAOYSA-N -1 3 286.335 3.216 20 0 CGADHM CCN(CC1CC1)C(=O)c1c[n-]c2c(C)cc(C)cc2c1=O ZINC000185476080 392772192 /nfs/dbraw/zinc/77/21/92/392772192.db2.gz OPHSAWDHMJOXES-UHFFFAOYSA-N -1 3 298.386 3.429 20 0 CGADHM CC[C@H]1[C@H](C)CCN1C(=O)Cc1ccc([O-])cc1Cl ZINC000187442492 392789348 /nfs/dbraw/zinc/78/93/48/392789348.db2.gz JLGJEPVKWHNUFZ-YGRLFVJLSA-N -1 3 281.783 3.235 20 0 CGADHM Cc1cc(C(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)cc(C)c1F ZINC000647798214 392801415 /nfs/dbraw/zinc/80/14/15/392801415.db2.gz DGPWQQBFMJQIJG-UHFFFAOYSA-N -1 3 299.305 3.277 20 0 CGADHM CCc1cc(C(=O)N[C@@H]2C[C@H]2c2ccccc2F)ccc1[O-] ZINC000457985098 392810359 /nfs/dbraw/zinc/81/03/59/392810359.db2.gz DYFBDNLAZPUKKF-GOEBONIOSA-N -1 3 299.345 3.380 20 0 CGADHM CCc1noc2ncc(C(=O)Nc3ccc(C)cc3[O-])cc12 ZINC000194674304 392935117 /nfs/dbraw/zinc/93/51/17/392935117.db2.gz GTPLAFRJSYTKLS-UHFFFAOYSA-N -1 3 297.314 3.052 20 0 CGADHM Cc1cc(NC(=O)c2cc([O-])c3ccccc3c2)c[nH]c1=O ZINC000526921008 542741341 /nfs/dbraw/zinc/74/13/41/542741341.db2.gz HGYDAJZYUKEWMI-UHFFFAOYSA-N -1 3 294.310 3.207 20 0 CGADHM COc1cccc(C(=O)N2CCCC[C@@H]2C2CCC2)c1[O-] ZINC000648705599 393214620 /nfs/dbraw/zinc/21/46/20/393214620.db2.gz LQYFIRGZVRHXLX-CQSZACIVSA-N -1 3 289.375 3.196 20 0 CGADHM COc1ccc(C(=O)N2CCCC[C@H]2C2CCC2)c([O-])c1 ZINC000648705792 393215204 /nfs/dbraw/zinc/21/52/04/393215204.db2.gz QNCQBQBEJGPZKY-HNNXBMFYSA-N -1 3 289.375 3.196 20 0 CGADHM Cc1ccc(NC(=O)c2ccc3[nH][n-]c(=O)c3c2)c(C)c1 ZINC000646565184 393302635 /nfs/dbraw/zinc/30/26/35/393302635.db2.gz JGRWYGNLJOTPSD-UHFFFAOYSA-N -1 3 281.315 3.138 20 0 CGADHM O=C(NC1CCCCC1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000646564338 393303233 /nfs/dbraw/zinc/30/32/33/393303233.db2.gz WXDJOXXZMJCSPY-UHFFFAOYSA-N -1 3 287.281 3.474 20 0 CGADHM CC(C)CCC[C@H](C)NC(=O)c1ccc2[nH][n-]c(=O)c2c1 ZINC000646623070 393307886 /nfs/dbraw/zinc/30/78/86/393307886.db2.gz VVMKTLRDIAREDN-NSHDSACASA-N -1 3 289.379 3.213 20 0 CGADHM CC1(C)[C@@H]2CN(C(=O)c3cc([O-])cc(C(F)(F)F)c3)C[C@@H]21 ZINC000646869805 393325473 /nfs/dbraw/zinc/32/54/73/393325473.db2.gz KASGABKGAPCQJF-TXEJJXNPSA-N -1 3 299.292 3.139 20 0 CGADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1C[C@@H]2CCC[C@H]2C1 ZINC000646903447 393328186 /nfs/dbraw/zinc/32/81/86/393328186.db2.gz OGDXBOXZQJKYOK-UWVGGRQHSA-N -1 3 299.292 3.283 20 0 CGADHM Cc1cc(C(=O)N(C)[C@H](C)c2ccco2)ccc1[O-] ZINC000272380012 393261990 /nfs/dbraw/zinc/26/19/90/393261990.db2.gz FNMHICCXLGKXNC-LLVKDONJSA-N -1 3 259.305 3.127 20 0 CGADHM CCC[C@H](C)SCc1cc(=O)[n-]c(C2CC2)n1 ZINC000419589428 393408092 /nfs/dbraw/zinc/40/80/92/393408092.db2.gz QFWRATXHDMMAFU-VIFPVBQESA-N -1 3 252.383 3.481 20 0 CGADHM C1=C(CSc2n[n-]c(-c3ccccn3)n2)CCC1 ZINC000647117950 393340686 /nfs/dbraw/zinc/34/06/86/393340686.db2.gz AVCCDPYPFIFEBM-UHFFFAOYSA-N -1 3 258.350 3.069 20 0 CGADHM CO[C@@H](CS(=O)(=O)[N-]c1cccc(C(C)C)c1)C(C)C ZINC000647122926 393343562 /nfs/dbraw/zinc/34/35/62/393343562.db2.gz DDDUCLBOEPNIPA-HNNXBMFYSA-N -1 3 299.436 3.223 20 0 CGADHM CSc1cc(F)ccc1[N-]S(=O)(=O)CCC1CC1 ZINC000647137807 393345510 /nfs/dbraw/zinc/34/55/10/393345510.db2.gz ZHSNLELAMJYZNV-UHFFFAOYSA-N -1 3 289.397 3.089 20 0 CGADHM O=C(CCc1cccc(F)c1F)Nc1ccccc1[O-] ZINC000356171687 393367262 /nfs/dbraw/zinc/36/72/62/393367262.db2.gz USDHPMLSJVMDMO-UHFFFAOYSA-N -1 3 277.270 3.242 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@@H]1CCCC(C)(C)C1 ZINC000649230593 393377775 /nfs/dbraw/zinc/37/77/75/393377775.db2.gz PHVJNKRYSRQXCQ-GFCCVEGCSA-N -1 3 277.412 3.418 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@H](C)c1cccc(C)c1 ZINC000649231109 393379747 /nfs/dbraw/zinc/37/97/47/393379747.db2.gz HSRQITCTURSBAS-GFCCVEGCSA-N -1 3 285.391 3.314 20 0 CGADHM C[C@H](CN=c1[n-]c(C(F)(F)F)cs1)C(F)(F)F ZINC000475722045 393413216 /nfs/dbraw/zinc/41/32/16/393413216.db2.gz GHMORRFYDUVPHY-SCSAIBSYSA-N -1 3 278.221 3.194 20 0 CGADHM Cc1cccc([O-])c1NC(=O)c1cc(-n2cccc2)ccn1 ZINC000486958552 393448524 /nfs/dbraw/zinc/44/85/24/393448524.db2.gz SJTRZOTXMXCZHJ-UHFFFAOYSA-N -1 3 293.326 3.139 20 0 CGADHM CCc1ccccc1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC000488251810 393474901 /nfs/dbraw/zinc/47/49/01/393474901.db2.gz NCQYPANXVPWNHL-UHFFFAOYSA-N -1 3 275.373 3.358 20 0 CGADHM Cc1ccc2ncc(C(=O)[O-])c(N3CC=CCC3)c2c1 ZINC000649386128 393409862 /nfs/dbraw/zinc/40/98/62/393409862.db2.gz WPFUZMVFAAKMQX-UHFFFAOYSA-N -1 3 268.316 3.008 20 0 CGADHM [O-]c1cccnc1CNCc1nc(-c2ccccc2)cs1 ZINC000356292837 393410358 /nfs/dbraw/zinc/41/03/58/393410358.db2.gz DTBHTBJCXRJPQN-UHFFFAOYSA-N -1 3 297.383 3.201 20 0 CGADHM CC[C@H](c1ccc(F)cc1F)N(C)CCCC(=O)[O-] ZINC000430650895 393583481 /nfs/dbraw/zinc/58/34/81/393583481.db2.gz FBYMSRWEGJIJGW-CYBMUJFWSA-N -1 3 271.307 3.213 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2c(C)cccc2O)c1 ZINC000490747060 393654198 /nfs/dbraw/zinc/65/41/98/393654198.db2.gz RUFXCLRJKUTYNO-UHFFFAOYSA-N -1 3 271.316 3.221 20 0 CGADHM Cc1cccnc1/C=C\C(=O)Nc1cc(Cl)ccc1[O-] ZINC000492601489 393760250 /nfs/dbraw/zinc/76/02/50/393760250.db2.gz DPGLYPGKAHTDPQ-ALCCZGGFSA-N -1 3 288.734 3.401 20 0 CGADHM O=C(/C=C\c1ccncc1)Nc1ccc(Cl)cc1[O-] ZINC000492303748 393716935 /nfs/dbraw/zinc/71/69/35/393716935.db2.gz JCGRVFZBNZXMPC-RJRFIUFISA-N -1 3 274.707 3.093 20 0 CGADHM Cc1ccc2[nH]c(NC(=O)c3cccc(C)c3[O-])nc2c1 ZINC000436725607 393717547 /nfs/dbraw/zinc/71/75/47/393717547.db2.gz YFIJZUUKLYRHKE-UHFFFAOYSA-N -1 3 281.315 3.138 20 0 CGADHM Cc1ccc2nc(NC(=O)c3cccc(C)c3[O-])[nH]c2c1 ZINC000436725607 393717550 /nfs/dbraw/zinc/71/75/50/393717550.db2.gz YFIJZUUKLYRHKE-UHFFFAOYSA-N -1 3 281.315 3.138 20 0 CGADHM CCOc1cc(-c2noc(CC(C)(C)C)n2)ccc1[O-] ZINC000445426786 393792757 /nfs/dbraw/zinc/79/27/57/393792757.db2.gz LSBVPSJEQVMNKD-UHFFFAOYSA-N -1 3 276.336 3.430 20 0 CGADHM CCc1ccc([O-])c(C(=O)NCc2ccc(C)s2)c1 ZINC000499692285 393803693 /nfs/dbraw/zinc/80/36/93/393803693.db2.gz HKZWYOIBVZXYDP-UHFFFAOYSA-N -1 3 275.373 3.255 20 0 CGADHM CC(C)(C)c1ccc(NC(=O)[C@H]2CCSC2)c([O-])c1 ZINC000501977198 393865431 /nfs/dbraw/zinc/86/54/31/393865431.db2.gz MJPBZEPMADQKAI-JTQLQIEISA-N -1 3 279.405 3.381 20 0 CGADHM CCC[C@H]1CCC[C@H]1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000448855791 393872726 /nfs/dbraw/zinc/87/27/26/393872726.db2.gz FWBLSQDWFKRXGS-SMDDNHRTSA-N -1 3 299.378 3.022 20 0 CGADHM CCC[C@H]1CCC[C@H]1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000448855791 393872730 /nfs/dbraw/zinc/87/27/30/393872730.db2.gz FWBLSQDWFKRXGS-SMDDNHRTSA-N -1 3 299.378 3.022 20 0 CGADHM CC[C@@H](C)C[C@@H](C)NC(=O)Cc1ccc([O-])c(F)c1 ZINC000449967633 393952549 /nfs/dbraw/zinc/95/25/49/393952549.db2.gz LUPHCOQUYKLNSM-GHMZBOCLSA-N -1 3 267.344 3.015 20 0 CGADHM C[C@@H]1CC[C@H](NC(=O)Cc2ccc([O-])c(F)c2)C[C@@H]1C ZINC000450580501 394023146 /nfs/dbraw/zinc/02/31/46/394023146.db2.gz CCOKXUOMVHCKAS-MDZLAQPJSA-N -1 3 279.355 3.015 20 0 CGADHM CC1(CNC(=O)CCc2ccc3ccccc3c2[O-])CC1 ZINC000450033653 393967030 /nfs/dbraw/zinc/96/70/30/393967030.db2.gz HKZPOULGUHSVHH-UHFFFAOYSA-N -1 3 283.371 3.394 20 0 CGADHM COc1ccc(C(=O)N2CCC[C@@]2(C)CC(C)C)c([O-])c1 ZINC000452991571 394142165 /nfs/dbraw/zinc/14/21/65/394142165.db2.gz XTMHWTIHSMWBFX-KRWDZBQOSA-N -1 3 291.391 3.442 20 0 CGADHM CCc1cc(C(=O)NCCC2CC(F)(F)C2)ccc1[O-] ZINC000457190446 394327147 /nfs/dbraw/zinc/32/71/47/394327147.db2.gz RVARRODSACWNEG-UHFFFAOYSA-N -1 3 283.318 3.120 20 0 CGADHM Cc1ccc(C(=O)N2CCCc3ccccc3CC2)c([O-])c1 ZINC000456315813 292055310 /nfs/dbraw/zinc/05/53/10/292055310.db2.gz QTROWSINWMTHBR-UHFFFAOYSA-N -1 3 295.382 3.332 20 0 CGADHM Cc1ccc(C(=O)N2CC[C@H]3CCC[C@H]32)c([O-])c1C ZINC000336157037 292063908 /nfs/dbraw/zinc/06/39/08/292063908.db2.gz WTDDQKYWPXXOBY-TZMCWYRMSA-N -1 3 259.349 3.024 20 0 CGADHM C[C@@H]1CCC[C@@H]1CNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000534450668 288417715 /nfs/dbraw/zinc/41/77/15/288417715.db2.gz DWLGNCLUYHZDSN-TZMCWYRMSA-N -1 3 293.382 3.406 20 0 CGADHM Cn1ccc2c1cccc2NCc1cc(=O)[n-]c(C2CC2)n1 ZINC000669312708 543100985 /nfs/dbraw/zinc/10/09/85/543100985.db2.gz BRRVPDCLJGNHCL-UHFFFAOYSA-N -1 3 294.358 3.163 20 0 CGADHM Cc1cc(C)c([N-]S(=O)(=O)c2ccoc2)c(Cl)c1 ZINC000671668683 543176099 /nfs/dbraw/zinc/17/60/99/543176099.db2.gz SXYMVXOEQBCNDW-UHFFFAOYSA-N -1 3 285.752 3.351 20 0 CGADHM CN(C(=O)c1cccc([O-])c1)C(C)(C)c1ccccc1 ZINC000671892862 543194293 /nfs/dbraw/zinc/19/42/93/543194293.db2.gz LXQVMAXTXVVIRY-UHFFFAOYSA-N -1 3 269.344 3.400 20 0 CGADHM CC(C)N(Cc1ccccc1)Cc1ccc(C(=O)[O-])cn1 ZINC000094762087 397641762 /nfs/dbraw/zinc/64/17/62/397641762.db2.gz SDMLUTZGOPWJPR-UHFFFAOYSA-N -1 3 284.359 3.190 20 0 CGADHM [O-]c1cccc(CN[C@H](CO)C2CCCCC2)c1Cl ZINC000386034851 397688738 /nfs/dbraw/zinc/68/87/38/397688738.db2.gz RMSZGUNJYMSJDU-CYBMUJFWSA-N -1 3 283.799 3.076 20 0 CGADHM c1cc(-c2noc(C3(C4CCC4)CCC3)n2)cc2n[n-]nc12 ZINC000650606239 397880725 /nfs/dbraw/zinc/88/07/25/397880725.db2.gz YYZNASZPAYOWSM-UHFFFAOYSA-N -1 3 295.346 3.230 20 0 CGADHM CC[C@H](C(=O)[O-])N(C)Cc1ccc(F)c(Cl)c1Cl ZINC000650806418 397926889 /nfs/dbraw/zinc/92/68/89/397926889.db2.gz ZYTPRIZTHUZHKL-SECBINFHSA-N -1 3 294.153 3.428 20 0 CGADHM Cc1ccc(C(=O)N[C@H](C)c2cnccc2C)c([O-])c1C ZINC000678423465 543524378 /nfs/dbraw/zinc/52/43/78/543524378.db2.gz KZAYSVGEPRDLEC-CYBMUJFWSA-N -1 3 284.359 3.203 20 0 CGADHM Cc1ccc2c(c1)CC[C@@H]2NCc1ccc(C(=O)[O-])cc1 ZINC000263416197 292316354 /nfs/dbraw/zinc/31/63/54/292316354.db2.gz NGWYOGZMFFCBSW-KRWDZBQOSA-N -1 3 281.355 3.470 20 0 CGADHM Cc1cccc(C(=O)N2CCSC[C@H]2C2CCC2)c1[O-] ZINC000416117466 292419304 /nfs/dbraw/zinc/41/93/04/292419304.db2.gz UKLOEWHYCBDAQM-AWEZNQCLSA-N -1 3 291.416 3.058 20 0 CGADHM Cc1cccc(C(=O)N2CC[C@@H]2c2ccccc2)c1[O-] ZINC000436792389 292420345 /nfs/dbraw/zinc/42/03/45/292420345.db2.gz NQNIMWSEOFPSGX-OAHLLOKOSA-N -1 3 267.328 3.288 20 0 CGADHM Cc1ccc(C(=O)NCc2ccc(F)cc2)c([O-])c1C ZINC000048517716 286906791 /nfs/dbraw/zinc/90/67/91/286906791.db2.gz JZUDFFJBZMVYAS-UHFFFAOYSA-N -1 3 273.307 3.078 20 0 CGADHM COc1ccc([O-])c(C(=O)Nc2cc(C)cc(C)c2)c1 ZINC000049956749 286929997 /nfs/dbraw/zinc/92/99/97/286929997.db2.gz FELASGFCVXMYIE-UHFFFAOYSA-N -1 3 271.316 3.270 20 0 CGADHM COc1ccc([O-])c(C(=O)NC(C)(C)CC(C)(C)C)c1 ZINC000053674234 286940058 /nfs/dbraw/zinc/94/00/58/286940058.db2.gz QEFKIBDTOVUEHA-UHFFFAOYSA-N -1 3 279.380 3.345 20 0 CGADHM COc1ccc([O-])c(C(=O)Nc2cc(F)c(F)c(F)c2)c1 ZINC000061120418 286957545 /nfs/dbraw/zinc/95/75/45/286957545.db2.gz ASXNIAZWRGQGTE-UHFFFAOYSA-N -1 3 297.232 3.070 20 0 CGADHM CC[C@@H]1CCC[C@H](NC(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000077839285 287043191 /nfs/dbraw/zinc/04/31/91/287043191.db2.gz QHVONJVMGOXZOS-YPMHNXCESA-N -1 3 294.370 3.299 20 0 CGADHM Cc1cccc(C(=O)N(C)CCc2ccccc2)c1[O-] ZINC000078678843 287051101 /nfs/dbraw/zinc/05/11/01/287051101.db2.gz JHZRZWXLWKHFIN-UHFFFAOYSA-N -1 3 269.344 3.015 20 0 CGADHM CCN(Cc1nc(C)ccc1[O-])[C@H](C)c1cccc(O)c1 ZINC000091974897 165277995 /nfs/dbraw/zinc/27/79/95/165277995.db2.gz NCHCGYPDTQGESI-CYBMUJFWSA-N -1 3 286.375 3.384 20 0 CGADHM COc1cccc(-c2nc(-c3ccccc3C)no2)c1[O-] ZINC000109036874 287127323 /nfs/dbraw/zinc/12/73/23/287127323.db2.gz AWAYNPQYHVLJCH-UHFFFAOYSA-N -1 3 282.299 3.426 20 0 CGADHM Cc1ccc(NC(=O)COc2ccccc2Cl)c([O-])c1 ZINC000008378922 170334051 /nfs/dbraw/zinc/33/40/51/170334051.db2.gz JTUUTJWEGQAIHB-UHFFFAOYSA-N -1 3 291.734 3.372 20 0 CGADHM CCC(CC)Nc1c(Cl)cccc1-c1nn[n-]n1 ZINC000736344636 572782826 /nfs/dbraw/zinc/78/28/26/572782826.db2.gz BOVDKSKITKUCIJ-UHFFFAOYSA-N -1 3 265.748 3.121 20 0 CGADHM Cc1ccc(CN(C)C(=O)c2ccc(C)cc2[O-])cc1 ZINC000020264808 171121657 /nfs/dbraw/zinc/12/16/57/171121657.db2.gz GZLQWTLUIWQJPC-UHFFFAOYSA-N -1 3 269.344 3.281 20 0 CGADHM CCCOc1ccc(CNCc2ccc(C(=O)[O-])cc2)cc1 ZINC000020925244 171280004 /nfs/dbraw/zinc/28/00/04/171280004.db2.gz XLFUEJZPHPUIGY-UHFFFAOYSA-N -1 3 299.370 3.463 20 0 CGADHM Cc1cccc(C(=O)NCc2ccccc2Cl)c1[O-] ZINC000021012285 171287790 /nfs/dbraw/zinc/28/77/90/171287790.db2.gz NAGBXBCNTNXUGC-UHFFFAOYSA-N -1 3 275.735 3.284 20 0 CGADHM CCCc1nnc([N-]C(=O)c2nc(C(C)C)oc2C)s1 ZINC000284980942 196170322 /nfs/dbraw/zinc/17/03/22/196170322.db2.gz AQADXMXOLGQSOB-UHFFFAOYSA-N -1 3 294.380 3.163 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CC[C@H]3CCCC[C@H]3C2)c1 ZINC000035175111 172028799 /nfs/dbraw/zinc/02/87/99/172028799.db2.gz MUCXGLOXNIRWKL-KGLIPLIRSA-N -1 3 273.376 3.353 20 0 CGADHM Cc1oc(CN2[C@@H](C)CCC[C@@H]2C)cc1C(=O)[O-] ZINC000035432209 172200430 /nfs/dbraw/zinc/20/04/30/172200430.db2.gz BYEMQNCBMURTDU-UWVGGRQHSA-N -1 3 251.326 3.049 20 0 CGADHM Cc1ccc(NC(=O)CSCc2cscn2)c([O-])c1 ZINC000127563415 287290583 /nfs/dbraw/zinc/29/05/83/287290583.db2.gz PCTJGGZRPQAGJM-UHFFFAOYSA-N -1 3 294.401 3.029 20 0 CGADHM COc1ccccc1CCC(=O)Nc1cccc([O-])c1F ZINC000128320445 287308692 /nfs/dbraw/zinc/30/86/92/287308692.db2.gz MNWDNLQPWOTRMR-UHFFFAOYSA-N -1 3 289.306 3.111 20 0 CGADHM Cc1ccc(C[C@@H](C)N(C)C(=O)c2ccc(O)cc2[O-])cc1 ZINC000129008928 287322390 /nfs/dbraw/zinc/32/23/90/287322390.db2.gz LPBBDSOQNLUDMH-CYBMUJFWSA-N -1 3 299.370 3.109 20 0 CGADHM Cc1cc(F)ccc1C(=O)Nc1cccc([O-])c1F ZINC000129196238 287326327 /nfs/dbraw/zinc/32/63/27/287326327.db2.gz YXYHLFZDCJPANF-UHFFFAOYSA-N -1 3 263.243 3.231 20 0 CGADHM CC(C)(C)C1CCN(Cc2ccoc2C(=O)[O-])CC1 ZINC000050347454 416476906 /nfs/dbraw/zinc/47/69/06/416476906.db2.gz RIZWKDCCRLSVKG-UHFFFAOYSA-N -1 3 265.353 3.236 20 0 CGADHM COc1ccc(S(=O)(=O)[N-]c2ccccc2C)c(C)c1 ZINC000048652200 416455850 /nfs/dbraw/zinc/45/58/50/416455850.db2.gz VYIWQNWMCCDBHR-UHFFFAOYSA-N -1 3 291.372 3.113 20 0 CGADHM COc1ccc([O-])c(C(=O)N2c3ccccc3CC[C@@H]2C)c1 ZINC000315032559 416537854 /nfs/dbraw/zinc/53/78/54/416537854.db2.gz XCHFLCPCKJFPIQ-LBPRGKRZSA-N -1 3 297.354 3.382 20 0 CGADHM CCc1onc(C)c1[N-]C(=O)c1nc2ccccc2s1 ZINC000129927017 287341207 /nfs/dbraw/zinc/34/12/07/287341207.db2.gz IPIRHWBMAQQYQN-UHFFFAOYSA-N -1 3 287.344 3.407 20 0 CGADHM Cc1ccc([O-])c(CN(Cc2cccc(F)c2)C2CC2)n1 ZINC000130143717 287345805 /nfs/dbraw/zinc/34/58/05/287345805.db2.gz QNWFDTFOWXHTJS-UHFFFAOYSA-N -1 3 286.350 3.399 20 0 CGADHM Cc1ccc2c(c1)N(C(=O)c1ccc([O-])c(C)c1)CC2 ZINC000679406018 543636150 /nfs/dbraw/zinc/63/61/50/543636150.db2.gz INIDLNLKGSXJBN-UHFFFAOYSA-N -1 3 267.328 3.212 20 0 CGADHM Cc1cccc([O-])c1NC(=O)CCOc1cccc(F)c1 ZINC000679319648 543616768 /nfs/dbraw/zinc/61/67/68/543616768.db2.gz NNRVRELSWGNVCX-UHFFFAOYSA-N -1 3 289.306 3.247 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2ncoc2-c2ccccc2)n1 ZINC000680321098 543696726 /nfs/dbraw/zinc/69/67/26/543696726.db2.gz IJRDDMBLMISSOV-UHFFFAOYSA-N -1 3 295.298 3.003 20 0 CGADHM Cc1cccnc1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000345009883 225227643 /nfs/dbraw/zinc/22/76/43/225227643.db2.gz CJZHXOPATFLTRO-UHFFFAOYSA-N -1 3 288.322 3.196 20 0 CGADHM CC[C@@H](NC(=O)c1ccc([O-])c(OC)c1)C1CCCCC1 ZINC000682375747 543837521 /nfs/dbraw/zinc/83/75/21/543837521.db2.gz CCAFUKYWKBJAIO-CQSZACIVSA-N -1 3 291.391 3.490 20 0 CGADHM C[C@@H](CNC(=O)CCCc1ccc([O-])c(F)c1)C1CC1 ZINC000682474908 543848124 /nfs/dbraw/zinc/84/81/24/543848124.db2.gz LZTZPMXVFKYQBD-NSHDSACASA-N -1 3 279.355 3.016 20 0 CGADHM CCCN(CC(F)(F)F)C(=O)c1ccc(CC)cc1[O-] ZINC000682482079 543848541 /nfs/dbraw/zinc/84/85/41/543848541.db2.gz DPYRRENZPCFCNQ-UHFFFAOYSA-N -1 3 289.297 3.369 20 0 CGADHM FC(F)c1nnc([N-]Cc2nccc3ccccc32)o1 ZINC000682527159 543851039 /nfs/dbraw/zinc/85/10/39/543851039.db2.gz HNCGUHWFZWWLQI-UHFFFAOYSA-N -1 3 276.246 3.168 20 0 CGADHM CCc1ccc(C(=O)NC(C)(C)CC(F)(F)F)c([O-])c1 ZINC000682535022 543852147 /nfs/dbraw/zinc/85/21/47/543852147.db2.gz RLEGAVZMMIZCFZ-UHFFFAOYSA-N -1 3 289.297 3.415 20 0 CGADHM CCC[C@@H](C)NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000682450309 543846627 /nfs/dbraw/zinc/84/66/27/543846627.db2.gz UJBVZMAKCACIQM-LLVKDONJSA-N -1 3 267.344 3.159 20 0 CGADHM CCc1ccc(C(=O)N(C)Cc2ccn(CC)c2)c([O-])c1 ZINC000682946011 543880631 /nfs/dbraw/zinc/88/06/31/543880631.db2.gz BLBGDALRCKOEIH-UHFFFAOYSA-N -1 3 286.375 3.048 20 0 CGADHM O=C([O-])c1cccc(CNC/C=C\c2ccc(F)cc2)c1 ZINC000683176116 543901583 /nfs/dbraw/zinc/90/15/83/543901583.db2.gz HISKXTSSEUCWGQ-RQOWECAXSA-N -1 3 285.318 3.327 20 0 CGADHM Cc1cccc(CNCc2cccc(C(=O)[O-])c2)c1C ZINC000683176865 543901610 /nfs/dbraw/zinc/90/16/10/543901610.db2.gz VFULGRJOQGGBCS-UHFFFAOYSA-N -1 3 269.344 3.291 20 0 CGADHM CN(Cc1nc2c3ccccc3oc2c(=O)[n-]1)C1CCCC1 ZINC000684608228 544019373 /nfs/dbraw/zinc/01/93/73/544019373.db2.gz AKGDTQJWBMFGNM-UHFFFAOYSA-N -1 3 297.358 3.456 20 0 CGADHM Cc1cccc([O-])c1NC(=O)[C@H]1Cc2ccc(F)cc21 ZINC000684472139 544005769 /nfs/dbraw/zinc/00/57/69/544005769.db2.gz WGPUDOOGSBRYCW-ZDUSSCGKSA-N -1 3 271.291 3.118 20 0 CGADHM O=C(CCC(F)F)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000684471184 544005888 /nfs/dbraw/zinc/00/58/88/544005888.db2.gz RZOLMURRSSVRKG-UHFFFAOYSA-N -1 3 283.196 3.395 20 0 CGADHM [O-]c1ccc(CCCc2nc(C3CCC3)no2)cc1F ZINC000685241344 544057043 /nfs/dbraw/zinc/05/70/43/544057043.db2.gz DNIHRLQARQVFNZ-UHFFFAOYSA-N -1 3 276.311 3.357 20 0 CGADHM CCc1noc(C)c1[N-]C(=O)c1cc(F)ccc1F ZINC000132720294 287409887 /nfs/dbraw/zinc/40/98/87/287409887.db2.gz JJPWHGKDIGSHFI-UHFFFAOYSA-N -1 3 266.247 3.076 20 0 CGADHM Cc1nc(C)c(NC(=O)c2cc(C)ccc2[O-])s1 ZINC000354775671 227100412 /nfs/dbraw/zinc/10/04/12/227100412.db2.gz CURYRLMYDSJUIF-UHFFFAOYSA-N -1 3 262.334 3.026 20 0 CGADHM Cc1cc(C(=O)[N-]c2nnc(C(C)(C)C)s2)oc1C ZINC000135103063 287461425 /nfs/dbraw/zinc/46/14/25/287461425.db2.gz QRPMALADBKRQCH-UHFFFAOYSA-N -1 3 279.365 3.298 20 0 CGADHM Cc1nc(C)c([C@@H](C)N(C)CC2(CC(=O)[O-])CC2)s1 ZINC000652410722 418965122 /nfs/dbraw/zinc/96/51/22/418965122.db2.gz YWGOLBFZRJOXJI-SNVBAGLBSA-N -1 3 282.409 3.008 20 0 CGADHM C[C@@H]1CC[C@@H](C)N1CCOc1ccc(C(=O)[O-])cc1Cl ZINC000652440757 418968476 /nfs/dbraw/zinc/96/84/76/418968476.db2.gz ZLZZYTLHUFLGFR-GHMZBOCLSA-N -1 3 297.782 3.290 20 0 CGADHM CSc1cccnc1[N-]C(=O)c1sc(C)nc1C ZINC000652875909 418997460 /nfs/dbraw/zinc/99/74/60/418997460.db2.gz BMOFYBPFHZBLQA-UHFFFAOYSA-N -1 3 279.390 3.129 20 0 CGADHM CCc1ccncc1NC(=O)c1ccc([O-])c(CC)c1 ZINC000652897966 419001031 /nfs/dbraw/zinc/00/10/31/419001031.db2.gz ILFYYUIATBRBSC-UHFFFAOYSA-N -1 3 270.332 3.164 20 0 CGADHM O=C([O-])[C@H](CNCc1cc(Cl)ccc1F)C1CCC1 ZINC000665361265 419118310 /nfs/dbraw/zinc/11/83/10/419118310.db2.gz MJKKZACIDHJFFI-GFCCVEGCSA-N -1 3 285.746 3.070 20 0 CGADHM C[C@H]1CCc2ccccc2N1C(=O)Cc1ccc([O-])c(F)c1 ZINC000665581934 419140655 /nfs/dbraw/zinc/14/06/55/419140655.db2.gz JWZQPPGQOBQRLA-LBPRGKRZSA-N -1 3 299.345 3.442 20 0 CGADHM CC(C)(C)c1nc(C=Cc2cc3n(n2)CCCC3)cc(=O)[n-]1 ZINC000656105273 419141063 /nfs/dbraw/zinc/14/10/63/419141063.db2.gz UWCHVESQHWEXHF-FPLPWBNLSA-N -1 3 298.390 3.183 20 0 CGADHM CCc1cccc2cc(CN[C@@H]3C=C[C@@H](C(=O)[O-])C3)oc21 ZINC000656566097 419184603 /nfs/dbraw/zinc/18/46/03/419184603.db2.gz DCGGBLVIGWUYRB-ZIAGYGMSSA-N -1 3 285.343 3.114 20 0 CGADHM CCc1ccccc1CNC(C)(C)c1nc(C)cc(=O)[n-]1 ZINC000660750844 419189248 /nfs/dbraw/zinc/18/92/48/419189248.db2.gz FYTDHRHTPACPQD-UHFFFAOYSA-N -1 3 285.391 3.078 20 0 CGADHM CCc1ccc(C)nc1[N-]S(=O)(=O)CCC1CCCC1 ZINC000656738007 419206111 /nfs/dbraw/zinc/20/61/11/419206111.db2.gz PGQNNAXSBOTHOI-UHFFFAOYSA-N -1 3 296.436 3.274 20 0 CGADHM CCC1(CC)CCCN(Cc2cc(C(=O)[O-])co2)C1 ZINC000656764380 419211970 /nfs/dbraw/zinc/21/19/70/419211970.db2.gz XNBBVZZUOUNVKV-UHFFFAOYSA-N -1 3 265.353 3.380 20 0 CGADHM O=C([O-])c1sccc1CN1CCC[C@@H](CCF)C1 ZINC000656762816 419212073 /nfs/dbraw/zinc/21/20/73/419212073.db2.gz HNBIGBGIBWFEPE-JTQLQIEISA-N -1 3 271.357 3.018 20 0 CGADHM O=C([O-])c1ccc(CN2CCC[C@H](CCF)C2)s1 ZINC000656762544 419212106 /nfs/dbraw/zinc/21/21/06/419212106.db2.gz FATZHHQCUMTKNC-SNVBAGLBSA-N -1 3 271.357 3.018 20 0 CGADHM CC(C)c1noc([N-]Cc2cc3ccccc3n2C)n1 ZINC000656771941 419214726 /nfs/dbraw/zinc/21/47/26/419214726.db2.gz NDZJFGAODDNLQD-UHFFFAOYSA-N -1 3 270.336 3.297 20 0 CGADHM COc1cccc(CN[C@H](CCC(C)(C)C)C(=O)[O-])c1F ZINC000666591576 419229068 /nfs/dbraw/zinc/22/90/68/419229068.db2.gz ZQQJKMRGHLNXDJ-GFCCVEGCSA-N -1 3 297.370 3.203 20 0 CGADHM CC(C)CC1(NCc2nc(=O)c3sccc3[n-]2)CC1 ZINC000662068252 419331291 /nfs/dbraw/zinc/33/12/91/419331291.db2.gz BXXMSNKXGKWNBW-UHFFFAOYSA-N -1 3 277.393 3.065 20 0 CGADHM C[C@H]1N(Cc2cccc([O-])c2Cl)CCC12CCOCC2 ZINC000336033991 228180327 /nfs/dbraw/zinc/18/03/27/228180327.db2.gz YDMHAGQFFRDRRN-GFCCVEGCSA-N -1 3 295.810 3.437 20 0 CGADHM CCc1cc(=O)[n-]c(CN[C@@]2(c3ccccc3)CC2(C)C)n1 ZINC000662344679 419397656 /nfs/dbraw/zinc/39/76/56/419397656.db2.gz ZYKPREVEAZBRJT-GOSISDBHSA-N -1 3 297.402 3.160 20 0 CGADHM CC(C)(C)[C@H](CC(=O)[O-])NCc1ccc(F)c(F)c1F ZINC000663259813 419535696 /nfs/dbraw/zinc/53/56/96/419535696.db2.gz IXDTZOFSEDEJIX-JTQLQIEISA-N -1 3 289.297 3.083 20 0 CGADHM COCC1(NCc2cccc([O-])c2Cl)CCCCC1 ZINC000663337251 419562556 /nfs/dbraw/zinc/56/25/56/419562556.db2.gz QKQOJKCEOCPJNH-UHFFFAOYSA-N -1 3 283.799 3.485 20 0 CGADHM Cc1ccc2nccc(N3C[C@@H](C(=O)[O-])CC[C@H]3C)c2c1 ZINC000662893276 419504693 /nfs/dbraw/zinc/50/46/93/419504693.db2.gz JXNSDAHPVVFZGW-OLZOCXBDSA-N -1 3 284.359 3.233 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCCC[C@@H]2C(C)C)o1 ZINC000536894520 288510102 /nfs/dbraw/zinc/51/01/02/288510102.db2.gz SJHAOFTWFSFZIJ-OLZOCXBDSA-N -1 3 285.409 3.081 20 0 CGADHM Cc1ccc(C[C@@H](C)NC(=O)c2ccc([O-])c(C)c2)s1 ZINC000226997832 287636333 /nfs/dbraw/zinc/63/63/33/287636333.db2.gz RYBARXDRTCPRGK-LLVKDONJSA-N -1 3 289.400 3.432 20 0 CGADHM C[C@H]1CCN(C(=O)c2ccc3c(c2[O-])CCCC3)[C@H]1C ZINC000183026734 261474888 /nfs/dbraw/zinc/47/48/88/261474888.db2.gz QBEXFNQCPPMIBP-RYUDHWBXSA-N -1 3 273.376 3.142 20 0 CGADHM CCCCOC1CCN(Cc2cccc(C(=O)[O-])c2)CC1 ZINC000414641097 263019260 /nfs/dbraw/zinc/01/92/60/263019260.db2.gz SJTSTKXWDZLDES-UHFFFAOYSA-N -1 3 291.391 3.166 20 0 CGADHM O=C([O-])c1ccc(CNCC2(C(F)(F)F)CCC2)cc1 ZINC000414642754 263019363 /nfs/dbraw/zinc/01/93/63/263019363.db2.gz WHMIPCQFXKHKSD-UHFFFAOYSA-N -1 3 287.281 3.207 20 0 CGADHM CCC1CCC(CNC(=O)c2cccc(OC)c2[O-])CC1 ZINC000044569213 270037075 /nfs/dbraw/zinc/03/70/75/270037075.db2.gz VBXWVBLIEJCCIL-UHFFFAOYSA-N -1 3 291.391 3.347 20 0 CGADHM CCOCc1cccc(NC(=O)c2ccc(C)cc2[O-])c1 ZINC000102275196 270045034 /nfs/dbraw/zinc/04/50/34/270045034.db2.gz JJNKDZKGYLUYNA-UHFFFAOYSA-N -1 3 285.343 3.489 20 0 CGADHM COc1ccccc1CCN(C)C(=O)c1ccc(C)cc1[O-] ZINC000104906894 270047234 /nfs/dbraw/zinc/04/72/34/270047234.db2.gz IBNLYCIOHRDWIA-UHFFFAOYSA-N -1 3 299.370 3.024 20 0 CGADHM Cc1ccc([O-])c(C(=O)N(CCC(C)C)C2CC2)c1 ZINC000107202768 270049812 /nfs/dbraw/zinc/04/98/12/270049812.db2.gz SDBNUHCQFHZEAU-UHFFFAOYSA-N -1 3 261.365 3.351 20 0 CGADHM Cc1ccc(NC(=O)/C=C/c2cccc(O)c2)c([O-])c1 ZINC000183306636 270055212 /nfs/dbraw/zinc/05/52/12/270055212.db2.gz YYZPFFDXRHVEIJ-SOFGYWHQSA-N -1 3 269.300 3.058 20 0 CGADHM COc1cccc(C(=O)N[C@H]2CCC[C@H](C)CC2)c1[O-] ZINC000227535668 270086897 /nfs/dbraw/zinc/08/68/97/270086897.db2.gz ZKBXUDZIXBYOCD-RYUDHWBXSA-N -1 3 277.364 3.099 20 0 CGADHM C[C@H]1CCN(Cc2ccccc2Cl)[C@@H](C(=O)[O-])C1 ZINC000229301284 270088240 /nfs/dbraw/zinc/08/82/40/270088240.db2.gz OEMXLCCLNVHDST-GXFFZTMASA-N -1 3 267.756 3.025 20 0 CGADHM CCc1ccc([O-])c(C(=O)NCCCOC2CCCC2)c1 ZINC000522168002 270105080 /nfs/dbraw/zinc/10/50/80/270105080.db2.gz SQKZFYKKUPSGJT-UHFFFAOYSA-N -1 3 291.391 3.034 20 0 CGADHM CCc1ccc([O-])c(C(=O)NC[C@@H](OC)c2ccccc2)c1 ZINC000525240945 270118325 /nfs/dbraw/zinc/11/83/25/270118325.db2.gz AJIKIWNPJUSDEG-QGZVFWFLSA-N -1 3 299.370 3.072 20 0 CGADHM CC[C@@H]1CCCN1C(=O)c1cc([O-])cc(Br)c1 ZINC000528394222 270163411 /nfs/dbraw/zinc/16/34/11/270163411.db2.gz ZUZPJLDMLJEHCC-LLVKDONJSA-N -1 3 298.180 3.169 20 0 CGADHM CCC(C)(C)OC1CN(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000529808497 270189117 /nfs/dbraw/zinc/18/91/17/270189117.db2.gz SHYLCZAQENCHTA-UHFFFAOYSA-N -1 3 297.782 3.075 20 0 CGADHM Cc1ccccc1CCCN1CCc2occc2[C@H]1C(=O)[O-] ZINC000530165272 270195523 /nfs/dbraw/zinc/19/55/23/270195523.db2.gz FIKLCRPDCIRHST-KRWDZBQOSA-N -1 3 299.370 3.205 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)C2CCCC2)c1-c1ccccc1F ZINC000530274138 270198253 /nfs/dbraw/zinc/19/82/53/270198253.db2.gz DDUHKUYKKKBJRM-UHFFFAOYSA-N -1 3 287.338 3.075 20 0 CGADHM C[C@H](CN(C)C(=O)c1c([O-])cccc1O)C1CCCCC1 ZINC000530276544 270198307 /nfs/dbraw/zinc/19/83/07/270198307.db2.gz LZCZNIYULRNPSU-GFCCVEGCSA-N -1 3 291.391 3.386 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)C2CCCC2)c1-c1ccc(F)cc1 ZINC000530274041 270198314 /nfs/dbraw/zinc/19/83/14/270198314.db2.gz MROUKUZFVHIYQF-UHFFFAOYSA-N -1 3 287.338 3.075 20 0 CGADHM C[C@H]1CCC[C@H](OCC(=O)Nc2cc(F)ccc2[O-])C1 ZINC000530895859 270203682 /nfs/dbraw/zinc/20/36/82/270203682.db2.gz JEBQIBBXHVGNPW-JQWIXIFHSA-N -1 3 281.327 3.065 20 0 CGADHM CCc1cccc(C(=O)N[C@H]2CCc3c2cccc3O)c1[O-] ZINC000531116637 270204218 /nfs/dbraw/zinc/20/42/18/270204218.db2.gz SLDHEKXEEIIOCX-HNNXBMFYSA-N -1 3 297.354 3.078 20 0 CGADHM CCc1cccc(C(=O)N2CC[C@](C)(CC)C2)c1[O-] ZINC000532344169 270215564 /nfs/dbraw/zinc/21/55/64/270215564.db2.gz GTBHZWXAODQQHT-INIZCTEOSA-N -1 3 261.365 3.217 20 0 CGADHM CC(C)C[C@H](CCO)CN=c1[n-]c(C(F)(F)F)cs1 ZINC000532716970 270218737 /nfs/dbraw/zinc/21/87/37/270218737.db2.gz NGSGSGBHANDCCB-VIFPVBQESA-N -1 3 296.358 3.040 20 0 CGADHM C[C@@H]1CC[C@@H](C)N(C(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC000266489395 287674548 /nfs/dbraw/zinc/67/45/48/287674548.db2.gz RYGTVDYSTJKMJZ-VXGBXAGGSA-N -1 3 284.359 3.201 20 0 CGADHM COc1cc(/C=C\C(=O)Nc2ccccc2[O-])cc(OC)c1 ZINC000254954300 287852288 /nfs/dbraw/zinc/85/22/88/287852288.db2.gz KWHKQNXUQJLIIO-FPLPWBNLSA-N -1 3 299.326 3.061 20 0 CGADHM Cc1ccc(CNCc2cccc(C(=O)[O-])c2)c(C)c1 ZINC000258770331 287886266 /nfs/dbraw/zinc/88/62/66/287886266.db2.gz ASGSKHNMLADDFL-UHFFFAOYSA-N -1 3 269.344 3.291 20 0 CGADHM Cc1ccc(C(=O)N(Cc2ccco2)C(C)C)c([O-])c1 ZINC000298412911 287924751 /nfs/dbraw/zinc/92/47/51/287924751.db2.gz RRQQKRJJNWZBIT-UHFFFAOYSA-N -1 3 273.332 3.344 20 0 CGADHM CC(=O)c1ccc(C(=O)N2C[C@@H](C)CC(C)(C)C2)cc1[O-] ZINC000412247053 277108811 /nfs/dbraw/zinc/10/88/11/277108811.db2.gz PTFVKYPNTZGHDA-NSHDSACASA-N -1 3 289.375 3.103 20 0 CGADHM CC(C)CC[C@@H]1CCCCN1C(=O)c1csc(=O)[n-]1 ZINC000472323180 277361159 /nfs/dbraw/zinc/36/11/59/277361159.db2.gz SZKYKSDASQSCIX-NSHDSACASA-N -1 3 282.409 3.280 20 0 CGADHM CC(C)[C@@]1(C)C[C@@H]1NC(=O)c1cc([O-])ccc1Cl ZINC000397126140 288021593 /nfs/dbraw/zinc/02/15/93/288021593.db2.gz QNVBCUCYIUSWJJ-GXTWGEPZSA-N -1 3 267.756 3.210 20 0 CGADHM C[C@@H](CNC(=O)c1cc([O-])ccc1Cl)CC(F)(F)F ZINC000397053391 288020809 /nfs/dbraw/zinc/02/08/09/288020809.db2.gz VPNHPJZAPDMKDN-SSDOTTSWSA-N -1 3 295.688 3.364 20 0 CGADHM Cc1cc(C)c(CNCc2cccc([O-])c2Cl)cn1 ZINC000397485564 288024266 /nfs/dbraw/zinc/02/42/66/288024266.db2.gz INDFVVLHFNULEO-UHFFFAOYSA-N -1 3 276.767 3.347 20 0 CGADHM CC1=C[C@H](C)CN(C(=O)c2ccc3c(c2[O-])CCCC3)C1 ZINC000436999772 278506944 /nfs/dbraw/zinc/50/69/44/278506944.db2.gz LSVDLLPECUFWSB-LBPRGKRZSA-N -1 3 285.387 3.309 20 0 CGADHM C[C@@H]1CCN(C(=O)[C@H]2CCCOCC2)c2c([O-])cccc21 ZINC000335200574 278538492 /nfs/dbraw/zinc/53/84/92/278538492.db2.gz WMAPXZCQDKWOOJ-OLZOCXBDSA-N -1 3 289.375 3.049 20 0 CGADHM Cc1noc(C)c1[N-]C(=O)c1nsc2ccc(C)cc21 ZINC000339342924 279250676 /nfs/dbraw/zinc/25/06/76/279250676.db2.gz HRFJZZFGZWCSIV-UHFFFAOYSA-N -1 3 287.344 3.462 20 0 CGADHM CC(C)SCC(=O)Nc1cc(Cl)ccc1[O-] ZINC000521843655 288140481 /nfs/dbraw/zinc/14/04/81/288140481.db2.gz WSCAFOIYBNHRFU-UHFFFAOYSA-N -1 3 259.758 3.126 20 0 CGADHM CC1(CNC(=O)c2cccc3nn[n-]c32)CCCCCC1 ZINC000526119994 288150313 /nfs/dbraw/zinc/15/03/13/288150313.db2.gz PZZDFRJCWCRSBX-UHFFFAOYSA-N -1 3 286.379 3.048 20 0 CGADHM CC1(CNC(=O)c2cccc3[n-]nnc32)CCCCCC1 ZINC000526119994 288150315 /nfs/dbraw/zinc/15/03/15/288150315.db2.gz PZZDFRJCWCRSBX-UHFFFAOYSA-N -1 3 286.379 3.048 20 0 CGADHM CC1(CNC(=O)c2cccc3n[n-]nc32)CCCCCC1 ZINC000526119994 288150318 /nfs/dbraw/zinc/15/03/18/288150318.db2.gz PZZDFRJCWCRSBX-UHFFFAOYSA-N -1 3 286.379 3.048 20 0 CGADHM CC[C@H](c1ccc(F)cc1F)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000449082592 288155343 /nfs/dbraw/zinc/15/53/43/288155343.db2.gz OKSIXTAJRKOWAG-UKRRQHHQSA-N -1 3 283.318 3.213 20 0 CGADHM O=S(=O)([N-][C@H]1CCCCc2ccccc21)c1ccco1 ZINC000527326689 288166926 /nfs/dbraw/zinc/16/69/26/288166926.db2.gz XOPZRAKQORDZMK-AWEZNQCLSA-N -1 3 291.372 3.026 20 0 CGADHM O=C(N[C@@H]1C[C@H]2C[C@H]2C1)c1cc([O-])c2ccccc2c1 ZINC000425153992 279937683 /nfs/dbraw/zinc/93/76/83/279937683.db2.gz JWYTXNCIPNNPBL-DABQJJPHSA-N -1 3 267.328 3.074 20 0 CGADHM O=C([N-]c1ccc(F)c(F)c1F)c1noc2c1CCCC2 ZINC000299060991 280017396 /nfs/dbraw/zinc/01/73/96/280017396.db2.gz SNHHITGIWYMIJX-UHFFFAOYSA-N -1 3 296.248 3.223 20 0 CGADHM CC[C@@H]1CC[C@@H](C)N1C(=O)c1c[n-]c2ccc(C)cc2c1=O ZINC000342564630 280322760 /nfs/dbraw/zinc/32/27/60/280322760.db2.gz IGSANCUTVORMSV-CHWSQXEVSA-N -1 3 298.386 3.240 20 0 CGADHM CC(C)c1ccc(S(=O)(=O)[N-][C@H](C)C(F)(F)F)cc1 ZINC000288256358 280612933 /nfs/dbraw/zinc/61/29/33/280612933.db2.gz CARLMYJOZSANGH-SECBINFHSA-N -1 3 295.326 3.039 20 0 CGADHM CCCc1nc(C)c(CN2[C@@H](C)CC(C(=O)[O-])C[C@@H]2C)o1 ZINC000530175169 288293904 /nfs/dbraw/zinc/29/39/04/288293904.db2.gz OFKLHGCZZCJORQ-QWRGUYRKSA-N -1 3 294.395 3.009 20 0 CGADHM Cc1nc(C(=O)N2CCCc3cccc([O-])c32)c(C)s1 ZINC000182936881 281823718 /nfs/dbraw/zinc/82/37/18/281823718.db2.gz IXSLOWTVVYQMHJ-UHFFFAOYSA-N -1 3 288.372 3.059 20 0 CGADHM CCc1cccc(C(=O)N(CCOC)C(CC)CC)c1[O-] ZINC000536687533 288497439 /nfs/dbraw/zinc/49/74/39/288497439.db2.gz DPEZWQBGQNPWSK-UHFFFAOYSA-N -1 3 293.407 3.232 20 0 CGADHM CCc1cccc(C(=O)N(CC2CC2)CC2CC2)c1[O-] ZINC000537641222 288541634 /nfs/dbraw/zinc/54/16/34/288541634.db2.gz QESMBYKCEAKEHG-UHFFFAOYSA-N -1 3 273.376 3.217 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2ccc(F)cc2OC)c1 ZINC000539846944 288634832 /nfs/dbraw/zinc/63/48/32/288634832.db2.gz CGLNILXMQQEVBM-UHFFFAOYSA-N -1 3 289.306 3.355 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H](C(C)C)C2)o1 ZINC000540204999 288650662 /nfs/dbraw/zinc/65/06/62/288650662.db2.gz KRTOEUUTZFRNIR-QWHCGFSZSA-N -1 3 285.409 3.081 20 0 CGADHM Cc1nc([N-]C(=O)c2cc(-c3ccccc3)on2)cs1 ZINC000551925359 289140555 /nfs/dbraw/zinc/14/05/55/289140555.db2.gz DFWZEPBOIMYJPF-UHFFFAOYSA-N -1 3 285.328 3.359 20 0 CGADHM CC(=O)c1cccc(NC(=O)c2cc3ccccc3[nH]2)c1[O-] ZINC000552287079 289178858 /nfs/dbraw/zinc/17/88/58/289178858.db2.gz HOTVTDZGFIKWDB-UHFFFAOYSA-N -1 3 294.310 3.328 20 0 CGADHM C[C@H]1CC(C(=O)Nc2c([O-])cccc2Cl)C[C@H](C)O1 ZINC000552435568 289189404 /nfs/dbraw/zinc/18/94/04/289189404.db2.gz NNPNTQPPPLMEIX-IUCAKERBSA-N -1 3 283.755 3.188 20 0 CGADHM C[C@@H](Oc1ccccc1)C(=O)Nc1c([O-])cccc1Cl ZINC000552780819 289198473 /nfs/dbraw/zinc/19/84/73/289198473.db2.gz QWXADGSXMFBEBW-SNVBAGLBSA-N -1 3 291.734 3.452 20 0 CGADHM CCc1cc(C(=O)NCc2cccc(F)c2)ccc1[O-] ZINC000553264311 289216077 /nfs/dbraw/zinc/21/60/77/289216077.db2.gz CFFTXBJLOVVBKK-UHFFFAOYSA-N -1 3 273.307 3.024 20 0 CGADHM Cc1c2ccccc2oc1C(=O)N=c1cc2ccccn2[n-]1 ZINC000553317161 289218723 /nfs/dbraw/zinc/21/87/23/289218723.db2.gz MWIGUTURSUFTIA-UHFFFAOYSA-N -1 3 291.310 3.063 20 0 CGADHM CCc1cc(C(=O)N2CCC(C(C)C)CC2)ccc1[O-] ZINC000553492179 289227295 /nfs/dbraw/zinc/22/72/95/289227295.db2.gz ULLRREQZHYVCOC-UHFFFAOYSA-N -1 3 275.392 3.463 20 0 CGADHM CCOC1CC(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])C1 ZINC000554000206 289249377 /nfs/dbraw/zinc/24/93/77/289249377.db2.gz ONWPHNLHAPQCON-UHFFFAOYSA-N -1 3 291.391 3.443 20 0 CGADHM CCc1cc(C)c(C(=O)Nc2cccc(C(C)=O)c2[O-])o1 ZINC000556891523 289418867 /nfs/dbraw/zinc/41/88/67/289418867.db2.gz BXPVEOZJVLCQDO-UHFFFAOYSA-N -1 3 287.315 3.311 20 0 CGADHM Cc1cc(C(=O)Nc2ccc([C@H]3CCOC3)cc2)ccc1[O-] ZINC000561589323 289645415 /nfs/dbraw/zinc/64/54/15/289645415.db2.gz HCMPPLNOOWRGDS-HNNXBMFYSA-N -1 3 297.354 3.457 20 0 CGADHM C[C@H]1CCc2onc(-c3nc(-c4ccc([O-])cc4)no3)c2C1 ZINC000561909202 289659418 /nfs/dbraw/zinc/65/94/18/289659418.db2.gz FKVZMMMOXVCOKF-VIFPVBQESA-N -1 3 297.314 3.222 20 0 CGADHM C[C@H](NCc1nc(C(=O)[O-])cs1)[C@@H](C)c1ccccc1 ZINC000514608392 289983367 /nfs/dbraw/zinc/98/33/67/289983367.db2.gz SOGNEMQIXFEANE-MNOVXSKESA-N -1 3 290.388 3.123 20 0 CGADHM COc1cc(C(=O)NC[C@@H]2CCC[C@@H](C)[C@@H]2C)ccc1[O-] ZINC000435931722 294940161 /nfs/dbraw/zinc/94/01/61/294940161.db2.gz ZGXWZLWYLNVSIZ-DYEKYZERSA-N -1 3 291.391 3.203 20 0 CGADHM COc1cccc(CN[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)c1 ZINC000417624128 295299764 /nfs/dbraw/zinc/29/97/64/295299764.db2.gz PZQOOMFOGJZJKL-DLBZAZTESA-N -1 3 297.354 3.098 20 0 CGADHM Cc1cc([O-])c(C(C)C)cc1C(=O)N1CCCCCO1 ZINC000436654985 301368320 /nfs/dbraw/zinc/36/83/20/301368320.db2.gz BLHHJUMXGHWFDW-UHFFFAOYSA-N -1 3 277.364 3.382 20 0 CGADHM C[C@H]1CCN(CCCCC(=O)[O-])[C@@H](c2ccco2)C1 ZINC000582850627 329279977 /nfs/dbraw/zinc/27/99/77/329279977.db2.gz AHXYLSGGIJONFD-QWHCGFSZSA-N -1 3 265.353 3.308 20 0 CGADHM CCc1cccc(C(=O)N(CC)Cc2ccccn2)c1[O-] ZINC000152675084 321703753 /nfs/dbraw/zinc/70/37/53/321703753.db2.gz PVPQUGNUPCWUIZ-UHFFFAOYSA-N -1 3 284.359 3.012 20 0 CGADHM CN(CCc1ccc(F)cc1)Cc1ccsc1C(=O)[O-] ZINC000563725846 322008177 /nfs/dbraw/zinc/00/81/77/322008177.db2.gz WDNJKCZYTHZDHE-UHFFFAOYSA-N -1 3 293.363 3.260 20 0 CGADHM O=c1cc(CSc2ccc(Cl)cn2)nc(C2CC2)[n-]1 ZINC000563871922 322013618 /nfs/dbraw/zinc/01/36/18/322013618.db2.gz QHGFXPCKXXGVEE-UHFFFAOYSA-N -1 3 293.779 3.400 20 0 CGADHM C[C@@H](NCc1ncccc1[O-])c1ccc(OC(F)F)cc1 ZINC000564299279 322025742 /nfs/dbraw/zinc/02/57/42/322025742.db2.gz TZJIETCYTQSNHL-SNVBAGLBSA-N -1 3 294.301 3.239 20 0 CGADHM Cc1oc([C@@H](C)N(C)CCC2CC2)cc1C(=O)[O-] ZINC000565104210 322060489 /nfs/dbraw/zinc/06/04/89/322060489.db2.gz IIMVQDNRNHGCDF-SECBINFHSA-N -1 3 251.326 3.079 20 0 CGADHM O=C([O-])c1ccc2c(c1)CN(CC1=CCCCC1)CC2 ZINC000565111753 322061561 /nfs/dbraw/zinc/06/15/61/322061561.db2.gz CNGMQACOFCLHIX-UHFFFAOYSA-N -1 3 271.360 3.243 20 0 CGADHM C[C@@H](C(=O)[O-])N(Cc1ccc(F)cc1Cl)C1CCC1 ZINC000565256313 322070670 /nfs/dbraw/zinc/07/06/70/322070670.db2.gz YCGVWTJYAVFLCY-VIFPVBQESA-N -1 3 285.746 3.307 20 0 CGADHM CCC(CC)C(=O)N=c1[nH][n-]c(C)c1-c1ccccc1 ZINC000565520255 322080621 /nfs/dbraw/zinc/08/06/21/322080621.db2.gz CJZANFNDWMRRCV-UHFFFAOYSA-N -1 3 271.364 3.182 20 0 CGADHM CC[C@H]1CCC[C@@H](NC(=O)c2c[n-]nc2-c2ccccn2)C1 ZINC000565628805 322084944 /nfs/dbraw/zinc/08/49/44/322084944.db2.gz AHUFELFIIZCAMA-QWHCGFSZSA-N -1 3 298.390 3.170 20 0 CGADHM O=C([O-])C1CCN(C/C=C/c2ccc(Cl)cc2)CC1 ZINC000565880380 322095336 /nfs/dbraw/zinc/09/53/36/322095336.db2.gz WQRVOGVTYIFVAN-OWOJBTEDSA-N -1 3 279.767 3.150 20 0 CGADHM Cc1cc(C)c(CN[C@@H](CC(=O)[O-])c2ccncc2)c(C)c1 ZINC000566489718 322126662 /nfs/dbraw/zinc/12/66/62/322126662.db2.gz WTKYFXUIRMBSSV-KRWDZBQOSA-N -1 3 298.386 3.312 20 0 CGADHM CC[C@@H](C)[C@H](C)N(Cc1nc(C(=O)[O-])cs1)C1CC1 ZINC000566567093 322129870 /nfs/dbraw/zinc/12/98/70/322129870.db2.gz KAHJVXSNIYEBGD-ZJUUUORDSA-N -1 3 282.409 3.240 20 0 CGADHM CCc1cccc(-c2nc([C@@H]3CCOC[C@H]3C)no2)c1[O-] ZINC000567111678 322150885 /nfs/dbraw/zinc/15/08/85/322150885.db2.gz BUYYUTGGYXQGHN-ZYHUDNBSSA-N -1 3 288.347 3.145 20 0 CGADHM CC1(C)CN(Cc2ncccc2[O-])CC[C@@H]1C(F)(F)F ZINC000567200721 322154338 /nfs/dbraw/zinc/15/43/38/322154338.db2.gz UKMSWBWOIAMMMX-LBPRGKRZSA-N -1 3 288.313 3.198 20 0 CGADHM CCO[C@@H]1C[C@H](N(C)Cc2csc(C(=O)[O-])c2)C1(C)C ZINC000567595378 322169613 /nfs/dbraw/zinc/16/96/13/322169613.db2.gz FRZYSABORDZOOY-QWHCGFSZSA-N -1 3 297.420 3.082 20 0 CGADHM C[C@@H](c1ccc(C(=O)[O-])o1)N1CC[C@@H](C)C(C)(C)C1 ZINC000568065908 322191712 /nfs/dbraw/zinc/19/17/12/322191712.db2.gz KQCKAKWZUUSETN-MNOVXSKESA-N -1 3 265.353 3.407 20 0 CGADHM CCCN(Cc1ccccc1)[C@H](C(=O)[O-])c1cccnc1 ZINC000570808126 322282711 /nfs/dbraw/zinc/28/27/11/322282711.db2.gz CQQMFDPYNNHGIY-INIZCTEOSA-N -1 3 284.359 3.120 20 0 CGADHM CCc1ccc(-c2ccc(CN[C@H]3C[C@H](C(=O)[O-])C3)o2)cc1 ZINC000571061473 322289154 /nfs/dbraw/zinc/28/91/54/322289154.db2.gz VLFBDWSSSBNUDN-SHTZXODSSA-N -1 3 299.370 3.462 20 0 CGADHM CCS[C@@H]1CC[C@H](N(C)Cc2ccoc2C(=O)[O-])C1 ZINC000571453273 322299315 /nfs/dbraw/zinc/29/93/15/322299315.db2.gz POBKFZBXXLYRDP-NWDGAFQWSA-N -1 3 283.393 3.084 20 0 CGADHM Cc1ccc(C(=O)N2CC[C@](F)(c3ccccc3)C2)c([O-])c1 ZINC000571942853 322313248 /nfs/dbraw/zinc/31/32/48/322313248.db2.gz URXPAAUFXVTKDM-GOSISDBHSA-N -1 3 299.345 3.412 20 0 CGADHM CO[C@@H]1CCN([C@H](C)c2cc(C)c(C(=O)[O-])o2)CC1(C)C ZINC000572975870 322364147 /nfs/dbraw/zinc/36/41/47/322364147.db2.gz FVQHQXFQCKTOEM-DGCLKSJQSA-N -1 3 295.379 3.094 20 0 CGADHM Cc1cc([N-]C(=O)[C@H](C)Nc2ccc3c(c2)CCCC3)on1 ZINC000573583480 322395515 /nfs/dbraw/zinc/39/55/15/322395515.db2.gz AVMDVYNPNHNVNA-LBPRGKRZSA-N -1 3 299.374 3.301 20 0 CGADHM C[C@@H]1CC[C@@H](NC(=O)c2c[n-]nc2-c2ccccn2)[C@@H](C)C1 ZINC000573611903 322397154 /nfs/dbraw/zinc/39/71/54/322397154.db2.gz UOZGZCMZZZDBNO-MBNYWOFBSA-N -1 3 298.390 3.026 20 0 CGADHM Cc1cccc(C(C)(C)NC(=O)c2ccccc2[O-])c1 ZINC000574116861 322424273 /nfs/dbraw/zinc/42/42/73/322424273.db2.gz BOPVPWFVJVYUML-UHFFFAOYSA-N -1 3 269.344 3.366 20 0 CGADHM C[C@@H]1C[C@H]1CC(=O)Nc1nnc(-c2cc3ccccc3o2)[n-]1 ZINC000583353137 327316589 /nfs/dbraw/zinc/31/65/89/327316589.db2.gz DRDZKRKZCPEJQY-KOLCDFICSA-N -1 3 296.330 3.203 20 0 CGADHM C[C@@H]1C[C@H]1CC(=O)Nc1nc(-c2cc3ccccc3o2)n[n-]1 ZINC000583353137 327316590 /nfs/dbraw/zinc/31/65/90/327316590.db2.gz DRDZKRKZCPEJQY-KOLCDFICSA-N -1 3 296.330 3.203 20 0 CGADHM C[C@@H]1C[C@H]1CC(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000583353137 327316591 /nfs/dbraw/zinc/31/65/91/327316591.db2.gz DRDZKRKZCPEJQY-KOLCDFICSA-N -1 3 296.330 3.203 20 0 CGADHM Cc1ccccc1[C@@H]1CCCN1Cc1ccc(C(=O)[O-])cn1 ZINC000582850616 329279840 /nfs/dbraw/zinc/27/98/40/329279840.db2.gz ABOQADSBQOEKBI-KRWDZBQOSA-N -1 3 296.370 3.425 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)N2CC[C@@](C)(c3ccccc3)C2)n1 ZINC000583243220 329392996 /nfs/dbraw/zinc/39/29/96/329392996.db2.gz FHDBJOCPUYLLHI-RDTXWAMCSA-N -1 3 297.402 3.215 20 0 CGADHM CCOC[C@@H]1CCCN([C@H](C)c2cc(C(=O)[O-])c(C)o2)C1 ZINC000580440931 330135812 /nfs/dbraw/zinc/13/58/12/330135812.db2.gz WUHBQAVUAJRYDQ-DGCLKSJQSA-N -1 3 295.379 3.096 20 0 CGADHM Cc1ccc2nccc(N3CC[C@](C(=O)[O-])(C(C)C)C3)c2c1 ZINC000580436500 330136815 /nfs/dbraw/zinc/13/68/15/330136815.db2.gz ZJFCEBFKMUWLSS-GOSISDBHSA-N -1 3 298.386 3.480 20 0 CGADHM CSc1cccc(C)c1[N-]C(=O)c1snnc1C ZINC000191480959 330144499 /nfs/dbraw/zinc/14/44/99/330144499.db2.gz XWHOEEXNXKJSPD-UHFFFAOYSA-N -1 3 279.390 3.129 20 0 CGADHM COC(=O)c1cnc(SCC2CCC(C)CC2)[n-]1 ZINC000576297785 335186252 /nfs/dbraw/zinc/18/62/52/335186252.db2.gz KTLPVEAAGRXNKH-UHFFFAOYSA-N -1 3 268.382 3.115 20 0 CGADHM CCCCSCCC(=O)Nc1cc(F)ccc1[O-] ZINC000174881820 335168226 /nfs/dbraw/zinc/16/82/26/335168226.db2.gz LCHZSGXXDUGRQZ-UHFFFAOYSA-N -1 3 271.357 3.393 20 0 CGADHM COc1cc(C)sc1C(=O)Nc1cc(F)ccc1[O-] ZINC000174899768 335169130 /nfs/dbraw/zinc/16/91/30/335169130.db2.gz TXGLBIFCLIGATK-UHFFFAOYSA-N -1 3 281.308 3.162 20 0 CGADHM Cc1nc(C)c([C@@H](C)N(C)CCCCCC(=O)[O-])s1 ZINC000577617689 335379271 /nfs/dbraw/zinc/37/92/71/335379271.db2.gz JKLQFUZYOPCVIR-LLVKDONJSA-N -1 3 284.425 3.398 20 0 CGADHM CC1(Cc2nc(-c3ccc4n[n-]nc4c3)no2)CCCC1 ZINC000577811181 335403674 /nfs/dbraw/zinc/40/36/74/335403674.db2.gz GODXYGMWFKSODJ-UHFFFAOYSA-N -1 3 283.335 3.131 20 0 CGADHM O=C(Nc1cccc([O-])c1F)c1ccnc2ccccc21 ZINC000179154033 335476171 /nfs/dbraw/zinc/47/61/71/335476171.db2.gz BSLZDVJXSGUNKN-UHFFFAOYSA-N -1 3 282.274 3.332 20 0 CGADHM Cn1cc(C(=O)Nc2cc(F)ccc2[O-])c2ccccc21 ZINC000179650891 335506031 /nfs/dbraw/zinc/50/60/31/335506031.db2.gz FEEOXWHPPOSSIV-UHFFFAOYSA-N -1 3 284.290 3.275 20 0 CGADHM Cc1ccc(CCc2nc(-c3ccc([O-])cc3)no2)o1 ZINC000350567549 335515004 /nfs/dbraw/zinc/51/50/04/335515004.db2.gz SGWVBGXTUZIJHR-UHFFFAOYSA-N -1 3 270.288 3.129 20 0 CGADHM CC[C@@H](C)[C@@H](OC)c1nc(-c2ccc([O-])c(OC)c2)no1 ZINC000350589632 335517372 /nfs/dbraw/zinc/51/73/72/335517372.db2.gz ZPEYOGUNECWOHO-NOZJJQNGSA-N -1 3 292.335 3.184 20 0 CGADHM Cc1ccc(CN[C@@H](COC(C)(C)C)C(=O)[O-])c(Cl)c1 ZINC000579843778 335905487 /nfs/dbraw/zinc/90/54/87/335905487.db2.gz UYNBIQOPJKATKD-ZDUSSCGKSA-N -1 3 299.798 3.006 20 0 CGADHM C[C@@H](NC(=O)c1c([O-])cccc1O)[C@H]1CC2CCC1CC2 ZINC000381512281 336067132 /nfs/dbraw/zinc/06/71/32/336067132.db2.gz LBACUYWBBYTWKY-IKWCTNDRSA-N -1 3 289.375 3.042 20 0 CGADHM Cc1cccc(C(=O)Nc2ccc3c(c2)CCCO3)c1[O-] ZINC000383576539 336114175 /nfs/dbraw/zinc/11/41/75/336114175.db2.gz AMSIBNJXIAFGFP-UHFFFAOYSA-N -1 3 283.327 3.278 20 0 CGADHM COC(=O)c1[n-]c(=N[C@H](C)CCC(C)(C)C)sc1C ZINC000386196581 336167668 /nfs/dbraw/zinc/16/76/68/336167668.db2.gz FDINMJVIOQFSQX-SECBINFHSA-N -1 3 284.425 3.287 20 0 CGADHM Cc1cc(F)cc(NC(=O)c2cc(-c3ccco3)[n-]n2)c1 ZINC000155283142 533836662 /nfs/dbraw/zinc/83/66/62/533836662.db2.gz USFVUXXEKPBFSX-UHFFFAOYSA-N -1 3 285.278 3.370 20 0 CGADHM Cc1cc(F)cc(NC(=O)c2cc(-c3ccco3)n[n-]2)c1 ZINC000155283142 533836666 /nfs/dbraw/zinc/83/66/66/533836666.db2.gz USFVUXXEKPBFSX-UHFFFAOYSA-N -1 3 285.278 3.370 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2ncccc2C(C)C)c1 ZINC000436609100 534194013 /nfs/dbraw/zinc/19/40/13/534194013.db2.gz VVXYEXDRHGEDPH-UHFFFAOYSA-N -1 3 270.332 3.471 20 0 CGADHM Cc1ccoc1CN(C)C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436747029 534444934 /nfs/dbraw/zinc/44/49/34/534444934.db2.gz JLEBMFZIRTZEKW-UHFFFAOYSA-N -1 3 299.370 3.445 20 0 CGADHM O=C(Nc1cncc(F)c1)c1cc2c(cc1[O-])CCCC2 ZINC000436773694 534454032 /nfs/dbraw/zinc/45/40/32/534454032.db2.gz KHNHLQYORHPRSS-UHFFFAOYSA-N -1 3 286.306 3.057 20 0 CGADHM CCOc1ccc(CN[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000050507681 521008071 /nfs/dbraw/zinc/00/80/71/521008071.db2.gz BKLYNTFHJYKGBP-MRXNPFEDSA-N -1 3 285.343 3.001 20 0 CGADHM O=C([O-])c1cccc(CNCc2ccc3ncccc3c2)c1 ZINC000426681108 534549542 /nfs/dbraw/zinc/54/95/42/534549542.db2.gz UZUNAYXTMDLJQD-UHFFFAOYSA-N -1 3 292.338 3.223 20 0 CGADHM Cc1cccc(-c2nc(-c3ccc4nc[nH]c4c3)no2)c1[O-] ZINC000436942655 534554298 /nfs/dbraw/zinc/55/42/98/534554298.db2.gz WMJALYWSVQEHSL-UHFFFAOYSA-N -1 3 292.298 3.294 20 0 CGADHM Cc1cccc(C(=O)Nc2scnc2C2CC2)c1[O-] ZINC000436712173 534628417 /nfs/dbraw/zinc/62/84/17/534628417.db2.gz FDADSTZYFUAZND-UHFFFAOYSA-N -1 3 274.345 3.287 20 0 CGADHM Cc1cccc(C)c1OCCNC(=O)c1ccc([O-])c(C)c1 ZINC000436898545 534684187 /nfs/dbraw/zinc/68/41/87/534684187.db2.gz YPCJSAFGDWHBJZ-UHFFFAOYSA-N -1 3 299.370 3.126 20 0 CGADHM CCn1cc(/C=C/c2ccc3cccc([O-])c3n2)cn1 ZINC000111998482 523302059 /nfs/dbraw/zinc/30/20/59/523302059.db2.gz MXSQYIIKLSQOQP-SOFGYWHQSA-N -1 3 265.316 3.327 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)NCCC1CCCCC1 ZINC000448678222 534700204 /nfs/dbraw/zinc/70/02/04/534700204.db2.gz SXYZOCNFCSWKQY-UHFFFAOYSA-N -1 3 279.355 3.160 20 0 CGADHM Cc1ncc(CNC(=O)c2ccc(C(C)C)cc2[O-])s1 ZINC000436481834 534740075 /nfs/dbraw/zinc/74/00/75/534740075.db2.gz BFYLXLJXRZBEAU-UHFFFAOYSA-N -1 3 290.388 3.211 20 0 CGADHM CC(=O)[C@H](C)CCCCC(=O)Nc1ccc([O-])cc1F ZINC000124644702 534790774 /nfs/dbraw/zinc/79/07/74/534790774.db2.gz KTWYRHJUTKOFFN-SNVBAGLBSA-N -1 3 281.327 3.255 20 0 CGADHM CCC(CC)(CC)NC(=O)c1cc(OC)ccc1[O-] ZINC000086645791 534907327 /nfs/dbraw/zinc/90/73/27/534907327.db2.gz RRPAMZJSOQENMH-UHFFFAOYSA-N -1 3 265.353 3.099 20 0 CGADHM O=[S@@](Cc1cccc(OC(F)F)c1)c1ccc([O-])cc1 ZINC000108085170 527423285 /nfs/dbraw/zinc/42/32/85/527423285.db2.gz NIXBAAAXFZBROQ-HXUWFJFHSA-N -1 3 298.310 3.301 20 0 CGADHM CC(C)(C)CNC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436824195 527688057 /nfs/dbraw/zinc/68/80/57/527688057.db2.gz FWRYZOHYHNGMOV-UHFFFAOYSA-N -1 3 261.365 3.047 20 0 CGADHM CC(C)CC1(C)CCN(C(=O)c2ccc(O)cc2[O-])CC1 ZINC000436764714 527689310 /nfs/dbraw/zinc/68/93/10/527689310.db2.gz TUUGLFVYEVVNPW-UHFFFAOYSA-N -1 3 291.391 3.386 20 0 CGADHM CCC[C@@H]1CCCN(C(=O)c2ccc([O-])c(C)c2)C1 ZINC000436940353 527749633 /nfs/dbraw/zinc/74/96/33/527749633.db2.gz VUTHJKFNIWFGSO-CYBMUJFWSA-N -1 3 261.365 3.353 20 0 CGADHM CC(C)CC[C@@H](C)NC(=O)Cc1ccc([O-])c(F)c1 ZINC000448637038 527800025 /nfs/dbraw/zinc/80/00/25/527800025.db2.gz GQTKRHZCIIRIKI-LLVKDONJSA-N -1 3 267.344 3.015 20 0 CGADHM CCCC(O)(CCC)CNC(=O)c1ccc([O-])c(CC)c1 ZINC000436696629 528017732 /nfs/dbraw/zinc/01/77/32/528017732.db2.gz JQKMGUFKRBBVLP-UHFFFAOYSA-N -1 3 293.407 3.016 20 0 CGADHM CCO[C@H](CCNC(=O)c1ccc(C)c(C)c1[O-])C(C)C ZINC000436836314 528048116 /nfs/dbraw/zinc/04/81/16/528048116.db2.gz HJVNXZBVHPDWRN-OAHLLOKOSA-N -1 3 293.407 3.190 20 0 CGADHM CCC[C@H](C)[C@@H]1CCCN1C(=O)c1ccc(OC)cc1[O-] ZINC000436600857 528073382 /nfs/dbraw/zinc/07/33/82/528073382.db2.gz GKDMYWOMUMBSBS-WFASDCNBSA-N -1 3 291.391 3.442 20 0 CGADHM CC1CCC(C)(NC(=O)Cc2ccc([O-])c(F)c2)CC1 ZINC000448851693 528171456 /nfs/dbraw/zinc/17/14/56/528171456.db2.gz MFOWYZZFLJJLKR-UHFFFAOYSA-N -1 3 279.355 3.159 20 0 CGADHM CCOc1cc(CNCc2ccco2)cc(Cl)c1[O-] ZINC000076275292 528279906 /nfs/dbraw/zinc/27/99/06/528279906.db2.gz ZSMXSRHXHYWBNC-UHFFFAOYSA-N -1 3 281.739 3.327 20 0 CGADHM CC(C)[C@@H](C(=O)[O-])[C@@H](C)NCc1cc(Cl)ccc1F ZINC000424613800 528375459 /nfs/dbraw/zinc/37/54/59/528375459.db2.gz BSXWAPZLUFLSLP-NOZJJQNGSA-N -1 3 287.762 3.314 20 0 CGADHM CCOc1ccc(CNC(=O)c2ccc([O-])c(CC)c2)cc1 ZINC000436684871 528454876 /nfs/dbraw/zinc/45/48/76/528454876.db2.gz IDRGBIIWMLGFED-UHFFFAOYSA-N -1 3 299.370 3.283 20 0 CGADHM CCC(C)(C)C(=O)Nc1nnc(-c2c(F)cccc2F)[n-]1 ZINC000359274884 528488562 /nfs/dbraw/zinc/48/85/62/528488562.db2.gz KTCFBILRASJEGK-UHFFFAOYSA-N -1 3 294.305 3.125 20 0 CGADHM CCC(C)(C)C(=O)Nc1nc(-c2c(F)cccc2F)n[n-]1 ZINC000359274884 528488567 /nfs/dbraw/zinc/48/85/67/528488567.db2.gz KTCFBILRASJEGK-UHFFFAOYSA-N -1 3 294.305 3.125 20 0 CGADHM CCC(C)(C)C(=O)Nc1n[n-]c(-c2c(F)cccc2F)n1 ZINC000359274884 528488568 /nfs/dbraw/zinc/48/85/68/528488568.db2.gz KTCFBILRASJEGK-UHFFFAOYSA-N -1 3 294.305 3.125 20 0 CGADHM CCC(CC)(CNCc1csc(C2CC2)n1)C(=O)[O-] ZINC000424407536 528692403 /nfs/dbraw/zinc/69/24/03/528692403.db2.gz CCEIFBJFXKJSTI-UHFFFAOYSA-N -1 3 282.409 3.001 20 0 CGADHM CCN(Cc1c(F)cccc1F)C(=O)c1ccccc1[O-] ZINC000156926177 528759734 /nfs/dbraw/zinc/75/97/34/528759734.db2.gz NKHUHVMZIFSMRJ-UHFFFAOYSA-N -1 3 291.297 3.333 20 0 CGADHM CC(C)N(Cc1ccco1)C(=O)c1ccccc1[O-] ZINC000436538247 528960008 /nfs/dbraw/zinc/96/00/08/528960008.db2.gz HRQQTIBNPORUQJ-UHFFFAOYSA-N -1 3 259.305 3.036 20 0 CGADHM CCN(C(=O)c1ccc(C(C)=O)c([O-])c1)C1CC(C)(C)C1 ZINC000412807287 529079748 /nfs/dbraw/zinc/07/97/48/529079748.db2.gz DSRUODOKDTZMHM-UHFFFAOYSA-N -1 3 289.375 3.246 20 0 CGADHM CC[C@H](C)[C@@H]([N-]C(=O)CC(F)(F)F)C(F)(F)F ZINC000436180990 529215255 /nfs/dbraw/zinc/21/52/55/529215255.db2.gz NFNPACGOLBJRMI-CAHLUQPWSA-N -1 3 265.197 3.032 20 0 CGADHM CC[C@H](C)[C@H](NC(=O)c1cccc([O-])c1)C(F)(F)F ZINC000278261484 529255550 /nfs/dbraw/zinc/25/55/50/529255550.db2.gz YEBQBMXFYLPOCX-KWQFWETISA-N -1 3 275.270 3.099 20 0 CGADHM CC[C@@H](C(=O)Nc1cc(Cl)ccc1[O-])N(CC)CC ZINC000440942712 529290491 /nfs/dbraw/zinc/29/04/91/529290491.db2.gz VHTXDHYPEJSNGO-LBPRGKRZSA-N -1 3 284.787 3.105 20 0 CGADHM CCCCN(C(=O)c1cc(=O)[n-]c(C2CC2)n1)[C@@H](C)CC ZINC000514871983 535190588 /nfs/dbraw/zinc/19/05/88/535190588.db2.gz VVNYGXGNUHDADC-NSHDSACASA-N -1 3 291.395 3.100 20 0 CGADHM CCc1cc(C(=O)N[C@@H]2C[C@@H]2Cc2ccccc2)ccc1[O-] ZINC000486473353 536127604 /nfs/dbraw/zinc/12/76/04/536127604.db2.gz VIIGDKBXKWDQOX-DLBZAZTESA-N -1 3 295.382 3.316 20 0 CGADHM C[C@@H]1C[C@@H](NC(=O)c2cc([O-])c3ccccc3c2)CS1 ZINC000334805282 571799749 /nfs/dbraw/zinc/79/97/49/571799749.db2.gz DYAMHSIJHACVBQ-ZWNOBZJWSA-N -1 3 287.384 3.169 20 0 CGADHM CO[C@@H]1CCC[C@H](OC(=O)c2cc3ccsc3[n-]2)C1 ZINC000729078260 571866309 /nfs/dbraw/zinc/86/63/09/571866309.db2.gz BRSNCCFJVFASMF-MNOVXSKESA-N -1 3 279.361 3.344 20 0 CGADHM CC(C)(C)C(=O)[N-]OCc1csc(C(C)(C)C)n1 ZINC000729264045 571893721 /nfs/dbraw/zinc/89/37/21/571893721.db2.gz SXGYULWTWMWJSZ-UHFFFAOYSA-N -1 3 270.398 3.035 20 0 CGADHM Cc1ccc(-c2cc(C(=O)OC[C@@H]3CCCS3)[n-]n2)o1 ZINC000745957765 571949917 /nfs/dbraw/zinc/94/99/17/571949917.db2.gz GMTNRQMTEPVVET-JTQLQIEISA-N -1 3 292.360 3.031 20 0 CGADHM Cc1ccc(-c2cc(C(=O)OC[C@@H]3CCCS3)n[n-]2)o1 ZINC000745957765 571949920 /nfs/dbraw/zinc/94/99/20/571949920.db2.gz GMTNRQMTEPVVET-JTQLQIEISA-N -1 3 292.360 3.031 20 0 CGADHM CC1(C)C[C@@H]1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000352920499 571957620 /nfs/dbraw/zinc/95/76/20/571957620.db2.gz DKCISGYLRDHVCE-AWEZNQCLSA-N -1 3 255.317 3.074 20 0 CGADHM CCCC[C@@H](CCC)OC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000730301407 572336357 /nfs/dbraw/zinc/33/63/57/572336357.db2.gz HOVYVZWWPFLGDL-CYBMUJFWSA-N -1 3 294.395 3.244 20 0 CGADHM COc1ccc([C@H](NCc2c(C)cccc2C)C(=O)[O-])cc1 ZINC000737974839 572380546 /nfs/dbraw/zinc/38/05/46/572380546.db2.gz WWGQAWHXQHKRPC-KRWDZBQOSA-N -1 3 299.370 3.228 20 0 CGADHM CC[C@H](C)OC(=O)c1cc(-c2cccs2)[n-]n1 ZINC000738611725 572382417 /nfs/dbraw/zinc/38/24/17/572382417.db2.gz IKRJERFPOHOWOE-QMMMGPOBSA-N -1 3 250.323 3.094 20 0 CGADHM CC[C@H](C)OC(=O)c1cc(-c2cccs2)n[n-]1 ZINC000738611725 572382421 /nfs/dbraw/zinc/38/24/21/572382421.db2.gz IKRJERFPOHOWOE-QMMMGPOBSA-N -1 3 250.323 3.094 20 0 CGADHM Cc1ccc(N(C)C(=O)c2c[n-]c3ccccc3c2=O)cc1 ZINC000725741181 572384555 /nfs/dbraw/zinc/38/45/55/572384555.db2.gz PKAGSRGJQYYZHF-UHFFFAOYSA-N -1 3 292.338 3.113 20 0 CGADHM Cc1ccc(N(C)C(=O)c2cnc3ccccc3c2[O-])cc1 ZINC000725741181 572384560 /nfs/dbraw/zinc/38/45/60/572384560.db2.gz PKAGSRGJQYYZHF-UHFFFAOYSA-N -1 3 292.338 3.113 20 0 CGADHM C[C@@H](CCNCc1ccc(Cl)cc1Cl)NC(=O)[O-] ZINC000738903070 572396603 /nfs/dbraw/zinc/39/66/03/572396603.db2.gz FOEIJUVXAARRFB-QMMMGPOBSA-N -1 3 291.178 3.129 20 0 CGADHM C[C@H](NC(=O)[O-])C1CCN(Cc2ccccc2Cl)CC1 ZINC000739014482 572398298 /nfs/dbraw/zinc/39/82/98/572398298.db2.gz JWKDDBDPNCFVFD-NSHDSACASA-N -1 3 296.798 3.208 20 0 CGADHM C[C@@H](c1ccc(F)cc1)N1CCC(CN(C)C(=O)[O-])CC1 ZINC000739059633 572458029 /nfs/dbraw/zinc/45/80/29/572458029.db2.gz SYTGJBLUMKLSBS-LBPRGKRZSA-N -1 3 294.370 3.209 20 0 CGADHM C[Si](C)(C)COC(=O)c1cc2ccsc2[n-]1 ZINC000740949154 572470388 /nfs/dbraw/zinc/47/03/88/572470388.db2.gz ZIJRBZOYWIZBHD-UHFFFAOYSA-N -1 3 253.399 3.264 20 0 CGADHM COc1cc(C=Cc2nccc(=O)[n-]2)ccc1SC ZINC000742220182 572559362 /nfs/dbraw/zinc/55/93/62/572559362.db2.gz KHFOCRYMAXZVGC-XQRVVYSFSA-N -1 3 274.345 3.083 20 0 CGADHM O=C(O[C@@H]1C=CCCC1)c1cc(-c2cccs2)[n-]n1 ZINC000733450777 572576969 /nfs/dbraw/zinc/57/69/69/572576969.db2.gz SMWJNVGUATYKNX-SNVBAGLBSA-N -1 3 274.345 3.404 20 0 CGADHM O=C(O[C@@H]1C=CCCC1)c1cc(-c2cccs2)n[n-]1 ZINC000733450777 572576974 /nfs/dbraw/zinc/57/69/74/572576974.db2.gz SMWJNVGUATYKNX-SNVBAGLBSA-N -1 3 274.345 3.404 20 0 CGADHM CCc1ccc(CCOC(=O)c2ccc([O-])cc2O)cc1 ZINC000734560741 572666425 /nfs/dbraw/zinc/66/64/25/572666425.db2.gz JGJXBQBWBYEECG-UHFFFAOYSA-N -1 3 286.327 3.060 20 0 CGADHM CC(C)(C)CCCNc1ncc(-c2nnn[n-]2)cc1Cl ZINC000735602315 572733023 /nfs/dbraw/zinc/73/30/23/572733023.db2.gz LJDPVOKXPMSLLE-UHFFFAOYSA-N -1 3 294.790 3.153 20 0 CGADHM CC(C)(C)CCCNc1ncc(-c2nn[n-]n2)cc1Cl ZINC000735602315 572733025 /nfs/dbraw/zinc/73/30/25/572733025.db2.gz LJDPVOKXPMSLLE-UHFFFAOYSA-N -1 3 294.790 3.153 20 0 CGADHM O=C(OCC(F)(F)C(F)F)c1ccc(Cl)cc1[O-] ZINC000744472465 572755677 /nfs/dbraw/zinc/75/56/77/572755677.db2.gz TXSJONHQCQDNPB-UHFFFAOYSA-N -1 3 286.608 3.103 20 0 CGADHM C[C@H](c1ccc(F)cc1)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736199982 572772791 /nfs/dbraw/zinc/77/27/91/572772791.db2.gz QHGKOXJTVWFCFR-LLVKDONJSA-N -1 3 297.337 3.203 20 0 CGADHM C[C@H](c1ccc(F)cc1)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736199982 572772794 /nfs/dbraw/zinc/77/27/94/572772794.db2.gz QHGKOXJTVWFCFR-LLVKDONJSA-N -1 3 297.337 3.203 20 0 CGADHM CC[C@H](C)CN(C)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000736322739 572782054 /nfs/dbraw/zinc/78/20/54/572782054.db2.gz OMCNORPGRYEPLW-VIFPVBQESA-N -1 3 279.775 3.002 20 0 CGADHM CC[C@H](C)CN(C)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000736322739 572782055 /nfs/dbraw/zinc/78/20/55/572782055.db2.gz OMCNORPGRYEPLW-VIFPVBQESA-N -1 3 279.775 3.002 20 0 CGADHM CCC(CC)Nc1c(Cl)cccc1-c1nnn[n-]1 ZINC000736344636 572782822 /nfs/dbraw/zinc/78/28/22/572782822.db2.gz BOVDKSKITKUCIJ-UHFFFAOYSA-N -1 3 265.748 3.121 20 0 CGADHM CC[C@@H](Nc1cc(-c2nnn[n-]2)c2ccccc2n1)C(C)C ZINC000736370954 572784524 /nfs/dbraw/zinc/78/45/24/572784524.db2.gz UQICKRDZGDJVDJ-CYBMUJFWSA-N -1 3 296.378 3.261 20 0 CGADHM CC[C@@H](Nc1cc(-c2nn[n-]n2)c2ccccc2n1)C(C)C ZINC000736370954 572784527 /nfs/dbraw/zinc/78/45/27/572784527.db2.gz UQICKRDZGDJVDJ-CYBMUJFWSA-N -1 3 296.378 3.261 20 0 CGADHM CC[C@@H]1CCC[C@H](Nc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736400672 572787864 /nfs/dbraw/zinc/78/78/64/572787864.db2.gz QPKJJNKQEXUIED-RISCZKNCSA-N -1 3 271.368 3.247 20 0 CGADHM CC[C@@H]1CCC[C@H](Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736400672 572787865 /nfs/dbraw/zinc/78/78/65/572787865.db2.gz QPKJJNKQEXUIED-RISCZKNCSA-N -1 3 271.368 3.247 20 0 CGADHM CCC[C@@H](CC)Nc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000736422755 572789579 /nfs/dbraw/zinc/78/95/79/572789579.db2.gz OZTIBJYNUALMHW-LLVKDONJSA-N -1 3 296.378 3.406 20 0 CGADHM CCC[C@@H](CC)Nc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000736422755 572789582 /nfs/dbraw/zinc/78/95/82/572789582.db2.gz OZTIBJYNUALMHW-LLVKDONJSA-N -1 3 296.378 3.406 20 0 CGADHM CCCCCNc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000736451976 572794773 /nfs/dbraw/zinc/79/47/73/572794773.db2.gz UCWMEYLCCPWKIL-UHFFFAOYSA-N -1 3 265.748 3.122 20 0 CGADHM CCCCCNc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000736451976 572794777 /nfs/dbraw/zinc/79/47/77/572794777.db2.gz UCWMEYLCCPWKIL-UHFFFAOYSA-N -1 3 265.748 3.122 20 0 CGADHM C[C@@H](N[C@@H](COCc1ccccc1)c1ccccc1)C(=O)[O-] ZINC000736661066 572802951 /nfs/dbraw/zinc/80/29/51/572802951.db2.gz DADNUIUXMJWPRF-PBHICJAKSA-N -1 3 299.370 3.007 20 0 CGADHM CSCC[C@@H](C)NC(=O)c1ccc(C(C)C)cc1[O-] ZINC000736707553 572806381 /nfs/dbraw/zinc/80/63/81/572806381.db2.gz ITSLCPAXFOOAEV-LLVKDONJSA-N -1 3 281.421 3.387 20 0 CGADHM CSCC[C@H](C)NC(=O)c1ccc(C(C)C)cc1[O-] ZINC000736707554 572806383 /nfs/dbraw/zinc/80/63/83/572806383.db2.gz ITSLCPAXFOOAEV-NSHDSACASA-N -1 3 281.421 3.387 20 0 CGADHM C[C@H](c1ccc(C(=O)[O-])o1)N1CC[C@H](c2ccco2)C1 ZINC000736715993 572806471 /nfs/dbraw/zinc/80/64/71/572806471.db2.gz FROLZNVEBOLGCL-MNOVXSKESA-N -1 3 275.304 3.121 20 0 CGADHM C[C@]1(NCc2ccoc2C(=O)[O-])CCCc2ccccc21 ZINC000736738539 572806990 /nfs/dbraw/zinc/80/69/90/572806990.db2.gz OALWUAZNOWCWSQ-KRWDZBQOSA-N -1 3 285.343 3.319 20 0 CGADHM CC[C@H](NCc1cccc(OCC(=O)[O-])c1)c1ccccc1 ZINC000736920581 572824960 /nfs/dbraw/zinc/82/49/60/572824960.db2.gz POCBTPBDXXHXNG-KRWDZBQOSA-N -1 3 299.370 3.391 20 0 CGADHM CCC[C@](C)(NCc1csc(-c2ccoc2)n1)C(=O)[O-] ZINC000736961895 572828137 /nfs/dbraw/zinc/82/81/37/572828137.db2.gz DKWDNVDIWUIOBS-AWEZNQCLSA-N -1 3 294.376 3.136 20 0 CGADHM C[C@@H](COC(=O)c1ccc(Cl)cc1[O-])C(F)(F)F ZINC000748217245 572967774 /nfs/dbraw/zinc/96/77/74/572967774.db2.gz ONJXNSRXSBBLSE-LURJTMIESA-N -1 3 282.645 3.401 20 0 CGADHM CCC[C@@]1(C)CCCN(c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821028079 599110461 /nfs/dbraw/zinc/11/04/61/599110461.db2.gz TYNVEEOTNQGHJM-INIZCTEOSA-N -1 3 285.395 3.273 20 0 CGADHM CC(C)CCc1nc(CN[C@H](C(=O)[O-])C(C)(C)C)cs1 ZINC000826861242 602224274 /nfs/dbraw/zinc/22/42/74/602224274.db2.gz RQAMZRZADIZFOR-CYBMUJFWSA-N -1 3 298.452 3.321 20 0 CGADHM Cc1cccc([C@@H](C)Sc2ccc(-c3nnn[n-]3)cn2)c1 ZINC000822288891 599125462 /nfs/dbraw/zinc/12/54/62/599125462.db2.gz MFILVAKAMOHUIM-LLVKDONJSA-N -1 3 297.387 3.423 20 0 CGADHM Cc1cccc([C@@H](C)Sc2ccc(-c3nn[n-]n3)cn2)c1 ZINC000822288891 599125465 /nfs/dbraw/zinc/12/54/65/599125465.db2.gz MFILVAKAMOHUIM-LLVKDONJSA-N -1 3 297.387 3.423 20 0 CGADHM Cc1c(NC(=O)C2CCCCCC2)cccc1-c1nnn[n-]1 ZINC000822061812 607268919 /nfs/dbraw/zinc/26/89/19/607268919.db2.gz YNDRUSDIJDXQKW-UHFFFAOYSA-N -1 3 299.378 3.084 20 0 CGADHM Cc1c(NC(=O)C2CCCCCC2)cccc1-c1nn[n-]n1 ZINC000822061812 607268920 /nfs/dbraw/zinc/26/89/20/607268920.db2.gz YNDRUSDIJDXQKW-UHFFFAOYSA-N -1 3 299.378 3.084 20 0 CGADHM COc1cccc([C@@H](C)NCc2ccc(C(=O)[O-])cc2)c1 ZINC000087846640 597493430 /nfs/dbraw/zinc/49/34/30/597493430.db2.gz FVAYALQRHMXTTG-GFCCVEGCSA-N -1 3 285.343 3.244 20 0 CGADHM C[C@H](NCc1cccc(C(=O)[O-])c1)c1ccccc1N(C)C ZINC000820149010 598192799 /nfs/dbraw/zinc/19/27/99/598192799.db2.gz UDYIHVXBOWTNQD-ZDUSSCGKSA-N -1 3 298.386 3.302 20 0 CGADHM FC(F)(F)c1cc(NC2CCCC2)ccc1-c1nnn[n-]1 ZINC000737634243 598274619 /nfs/dbraw/zinc/27/46/19/598274619.db2.gz ZPFNOFFJHSUQFR-UHFFFAOYSA-N -1 3 297.284 3.240 20 0 CGADHM FC(F)(F)c1cc(NC2CCCC2)ccc1-c1nn[n-]n1 ZINC000737634243 598274620 /nfs/dbraw/zinc/27/46/20/598274620.db2.gz ZPFNOFFJHSUQFR-UHFFFAOYSA-N -1 3 297.284 3.240 20 0 CGADHM CN(CC1CCCC1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000736793229 599419706 /nfs/dbraw/zinc/41/97/06/599419706.db2.gz HWROHSCBQKQAEJ-UHFFFAOYSA-N -1 3 291.786 3.147 20 0 CGADHM CN(CC1CCCC1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000736793229 599419708 /nfs/dbraw/zinc/41/97/08/599419708.db2.gz HWROHSCBQKQAEJ-UHFFFAOYSA-N -1 3 291.786 3.147 20 0 CGADHM Clc1cccc(-c2nnn[n-]2)c1N[C@H]1CC=CCC1 ZINC000822582149 599565223 /nfs/dbraw/zinc/56/52/23/599565223.db2.gz QVVPEKAIZMHBMD-VIFPVBQESA-N -1 3 275.743 3.041 20 0 CGADHM Clc1cccc(-c2nn[n-]n2)c1N[C@H]1CC=CCC1 ZINC000822582149 599565224 /nfs/dbraw/zinc/56/52/24/599565224.db2.gz QVVPEKAIZMHBMD-VIFPVBQESA-N -1 3 275.743 3.041 20 0 CGADHM CC[C@@](C)(NCc1nc(-c2cccs2)oc1C)C(=O)[O-] ZINC000094228546 600560204 /nfs/dbraw/zinc/56/02/04/600560204.db2.gz MKOBQKVWPISYJB-CQSZACIVSA-N -1 3 294.376 3.054 20 0 CGADHM CCC(CC)(CC(=O)[O-])NCc1csc(C(C)C)n1 ZINC000828804826 601260749 /nfs/dbraw/zinc/26/07/49/601260749.db2.gz UAOQXEOLUJUVPE-UHFFFAOYSA-N -1 3 284.425 3.390 20 0 CGADHM C[C@@H](NCc1cccc(C(=O)[O-])c1)c1ccc(C#N)cc1 ZINC000235214421 601849784 /nfs/dbraw/zinc/84/97/84/601849784.db2.gz PCZIMBACUXRSHM-GFCCVEGCSA-N -1 3 280.327 3.107 20 0 CGADHM CCC(CC)(CC(=O)[O-])NCc1nc2cc(F)ccc2o1 ZINC000828803855 602210872 /nfs/dbraw/zinc/21/08/72/602210872.db2.gz CKKCQUMBSZRRNZ-UHFFFAOYSA-N -1 3 294.326 3.090 20 0 CGADHM C[C@@H](NCc1ccc(NC(=O)[O-])nc1)c1ccccc1 ZINC000825501059 603548546 /nfs/dbraw/zinc/54/85/46/603548546.db2.gz BGBNSKMIXXOSCR-LLVKDONJSA-N -1 3 271.320 3.022 20 0 CGADHM C[C@@H](CCSc1ccccc1)N1CC[C@@](F)(C(=O)[O-])C1 ZINC000827422119 604436754 /nfs/dbraw/zinc/43/67/54/604436754.db2.gz LQBYJIDVUXYXKS-WFASDCNBSA-N -1 3 297.395 3.056 20 0 CGADHM CC1=C(C(=O)[O-])C[C@@H](CN[C@H](C)c2ccccc2Cl)O1 ZINC000833576452 604833445 /nfs/dbraw/zinc/83/34/45/604833445.db2.gz APMKAJAPNFKXFS-KOLCDFICSA-N -1 3 295.766 3.138 20 0 CGADHM CCc1ccc([C@@H](C)N[C@H](C(=O)[O-])c2cccnc2)cc1 ZINC000830238977 604986086 /nfs/dbraw/zinc/98/60/86/604986086.db2.gz VAJRBEXEYDFSTC-WBMJQRKESA-N -1 3 284.359 3.121 20 0 CGADHM CC1(C)c2ccccc2CCN1Cc1occc1C(=O)[O-] ZINC000833562336 605021044 /nfs/dbraw/zinc/02/10/44/605021044.db2.gz CRXQSBSLYHGVJJ-UHFFFAOYSA-N -1 3 285.343 3.271 20 0 CGADHM C/C(=C/CN[C@H](C)c1ccc(F)cc1Cl)C(=O)[O-] ZINC000833383135 605141520 /nfs/dbraw/zinc/14/15/20/605141520.db2.gz KNCZSQCIXDJVBA-BZJXQOFCSA-N -1 3 271.719 3.161 20 0 CGADHM CC(C)c1nc([C@@H](C)NC2CCN(C(=O)[O-])CC2)cs1 ZINC000824483349 605235831 /nfs/dbraw/zinc/23/58/31/605235831.db2.gz ZPKGPWUOKPLSNK-SNVBAGLBSA-N -1 3 297.424 3.060 20 0 CGADHM CCc1cnccc1[C@H](C)NCc1ccc(C(=O)[O-])s1 ZINC000833672335 605270250 /nfs/dbraw/zinc/27/02/50/605270250.db2.gz ABOSPCPFBCJNSU-JTQLQIEISA-N -1 3 290.388 3.255 20 0 CGADHM CCCC[C@@H](CCC)Nc1ncccc1-c1nnn[n-]1 ZINC000821043059 606402910 /nfs/dbraw/zinc/40/29/10/606402910.db2.gz LKBMJXAWJUMREE-LLVKDONJSA-N -1 3 274.372 3.033 20 0 CGADHM CCCC[C@@H](CCC)Nc1ncccc1-c1nn[n-]n1 ZINC000821043059 606402911 /nfs/dbraw/zinc/40/29/11/606402911.db2.gz LKBMJXAWJUMREE-LLVKDONJSA-N -1 3 274.372 3.033 20 0 CGADHM Clc1ccc(CNc2cccc(-c3nnn[n-]3)c2)s1 ZINC000037102023 606659542 /nfs/dbraw/zinc/65/95/42/606659542.db2.gz ZHQGIUIQZGLQPP-UHFFFAOYSA-N -1 3 291.767 3.194 20 0 CGADHM Clc1ccc(CNc2cccc(-c3nn[n-]n3)c2)s1 ZINC000037102023 606659543 /nfs/dbraw/zinc/65/95/43/606659543.db2.gz ZHQGIUIQZGLQPP-UHFFFAOYSA-N -1 3 291.767 3.194 20 0 CGADHM Cc1cccc(C)c1NCc1ccccc1-c1nn[n-]n1 ZINC000095213943 606660924 /nfs/dbraw/zinc/66/09/24/606660924.db2.gz DUOCSGLHMGCVLS-UHFFFAOYSA-N -1 3 279.347 3.096 20 0 CGADHM Cc1cccc(C)c1NCc1ccccc1-c1nnn[n-]1 ZINC000095213943 606660923 /nfs/dbraw/zinc/66/09/23/606660923.db2.gz DUOCSGLHMGCVLS-UHFFFAOYSA-N -1 3 279.347 3.096 20 0 CGADHM CCc1ccccc1NCc1cccc(-c2nnn[n-]2)c1 ZINC000821495986 606693985 /nfs/dbraw/zinc/69/39/85/606693985.db2.gz AEFBECJQCGVSAQ-UHFFFAOYSA-N -1 3 279.347 3.041 20 0 CGADHM CCc1ccccc1NCc1cccc(-c2nn[n-]n2)c1 ZINC000821495986 606693986 /nfs/dbraw/zinc/69/39/86/606693986.db2.gz AEFBECJQCGVSAQ-UHFFFAOYSA-N -1 3 279.347 3.041 20 0 CGADHM CC[C@H](C)CSCc1cccc(-c2nnn[n-]2)c1 ZINC000820870775 606795915 /nfs/dbraw/zinc/79/59/15/606795915.db2.gz ZGRFXCOVAXIUAG-JTQLQIEISA-N -1 3 262.382 3.146 20 0 CGADHM CC[C@H](C)CSCc1cccc(-c2nn[n-]n2)c1 ZINC000820870775 606795917 /nfs/dbraw/zinc/79/59/17/606795917.db2.gz ZGRFXCOVAXIUAG-JTQLQIEISA-N -1 3 262.382 3.146 20 0 CGADHM Cc1ccc(-c2nnn[n-]2)c(N[C@@H](C)c2ccccc2C)n1 ZINC000822215222 607226798 /nfs/dbraw/zinc/22/67/98/607226798.db2.gz RNYVMJVYQSZGBM-LBPRGKRZSA-N -1 3 294.362 3.052 20 0 CGADHM Cc1ccc(-c2nn[n-]n2)c(N[C@@H](C)c2ccccc2C)n1 ZINC000822215222 607226799 /nfs/dbraw/zinc/22/67/99/607226799.db2.gz RNYVMJVYQSZGBM-LBPRGKRZSA-N -1 3 294.362 3.052 20 0 CGADHM CCC[C@H]1C[C@@H]1Nc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000825252760 608230423 /nfs/dbraw/zinc/23/04/23/608230423.db2.gz KBMOQDAIICWVDD-HZMBPMFUSA-N -1 3 294.362 3.015 20 0 CGADHM CCC[C@H]1C[C@@H]1Nc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000825252760 608230425 /nfs/dbraw/zinc/23/04/25/608230425.db2.gz KBMOQDAIICWVDD-HZMBPMFUSA-N -1 3 294.362 3.015 20 0 CGADHM Cc1cc(F)cc(N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000826268326 609273737 /nfs/dbraw/zinc/27/37/37/609273737.db2.gz SNYOVGSXUVKCPD-NSHDSACASA-N -1 3 297.337 3.487 20 0 CGADHM Cc1cc(F)cc(N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000826268326 609273738 /nfs/dbraw/zinc/27/37/38/609273738.db2.gz SNYOVGSXUVKCPD-NSHDSACASA-N -1 3 297.337 3.487 20 0 CGADHM Cc1ccc(CNc2cc(-c3nnn[n-]3)ccc2C)cc1 ZINC000826288595 609480535 /nfs/dbraw/zinc/48/05/35/609480535.db2.gz OJCTYLJEFFDZNB-UHFFFAOYSA-N -1 3 279.347 3.096 20 0 CGADHM Cc1ccc(CNc2cc(-c3nn[n-]n3)ccc2C)cc1 ZINC000826288595 609480537 /nfs/dbraw/zinc/48/05/37/609480537.db2.gz OJCTYLJEFFDZNB-UHFFFAOYSA-N -1 3 279.347 3.096 20 0 CGADHM O=C([N-]Cc1ccc2ccccc2c1)C(F)(F)C(F)F ZINC000175926054 618051478 /nfs/dbraw/zinc/05/14/78/618051478.db2.gz VNIMLQZQXUXWBS-UHFFFAOYSA-N -1 3 285.240 3.356 20 0 CGADHM Cc1cc([C@@H]2CCCN2Cc2ccc([O-])c(F)c2)no1 ZINC000891648670 618243766 /nfs/dbraw/zinc/24/37/66/618243766.db2.gz RUGGXRBQRHXCNW-AWEZNQCLSA-N -1 3 276.311 3.165 20 0 CGADHM CCc1nc(CN(C)Cc2ccc([O-])c(F)c2)cs1 ZINC000891812624 618312571 /nfs/dbraw/zinc/31/25/71/618312571.db2.gz PHXLICVFUXRYHL-UHFFFAOYSA-N -1 3 280.368 3.182 20 0 CGADHM O=C([N-]c1noc2c1CCCC2)c1sccc1F ZINC000900786955 620812625 /nfs/dbraw/zinc/81/26/25/620812625.db2.gz IHLTUDNUKNJCHQ-UHFFFAOYSA-N -1 3 266.297 3.006 20 0 CGADHM COc1cccc([O-])c1C(=O)N1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000900883712 620818272 /nfs/dbraw/zinc/81/82/72/620818272.db2.gz SILMDYBCUYRUMT-SJKOYZFVSA-N -1 3 297.354 3.234 20 0 CGADHM Cc1cccc(S(=O)(=O)[N-]c2c(C)ccnc2Cl)c1 ZINC000235913348 618832526 /nfs/dbraw/zinc/83/25/26/618832526.db2.gz ZSWRQWPEXJDIIY-UHFFFAOYSA-N -1 3 296.779 3.153 20 0 CGADHM CC(C)c1csc(CNCc2ccc([O-])c(F)c2)n1 ZINC000893153496 619005840 /nfs/dbraw/zinc/00/58/40/619005840.db2.gz SJAXRBMJGMFFMF-UHFFFAOYSA-N -1 3 280.368 3.401 20 0 CGADHM C[C@H](CCc1ccco1)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC000314982762 619240028 /nfs/dbraw/zinc/24/00/28/619240028.db2.gz PHKOBWLNZRMGQP-ZJUUUORDSA-N -1 3 294.376 3.106 20 0 CGADHM C[C@@]1(c2ccccc2)CCCN1C(=O)c1ccc(O)cc1[O-] ZINC000893666148 619274465 /nfs/dbraw/zinc/27/44/65/619274465.db2.gz ZCACGQBBWZKAGA-SFHVURJKSA-N -1 3 297.354 3.249 20 0 CGADHM CCc1cccc(CC(=O)[N-]OCc2ccccc2)c1 ZINC000178982384 619722687 /nfs/dbraw/zinc/72/26/87/619722687.db2.gz AXQVEYAFMKCWSK-UHFFFAOYSA-N -1 3 269.344 3.040 20 0 CGADHM C[C@@H]1Cc2cc(NCc3ccc([O-])c(F)c3)ccc2O1 ZINC000897114383 620148166 /nfs/dbraw/zinc/14/81/66/620148166.db2.gz LOTDQGOZLWTPEC-SNVBAGLBSA-N -1 3 273.307 3.467 20 0 CGADHM COCc1ccc(C(=O)[N-]c2c(C)noc2C(C)C)o1 ZINC000928789103 620220517 /nfs/dbraw/zinc/22/05/17/620220517.db2.gz JUOHUIWPWYFZEN-UHFFFAOYSA-N -1 3 278.308 3.098 20 0 CGADHM C/C(=C\Cl)CS[C@H](C)c1nc(C)cc(=O)[n-]1 ZINC000797813928 620230910 /nfs/dbraw/zinc/23/09/10/620230910.db2.gz OUDKHGNSQNSUJA-VPIOIWJLSA-N -1 3 258.774 3.427 20 0 CGADHM COc1ccc(CN2C[C@H](C(=O)[O-])CC[C@@H]2C)cc1Cl ZINC000263487519 620322017 /nfs/dbraw/zinc/32/20/17/620322017.db2.gz HURFNWWCBZUUCS-CMPLNLGQSA-N -1 3 297.782 3.034 20 0 CGADHM CC[C@@H]1CCC[C@]1(C)C(=O)[N-]OCc1cccc(C)n1 ZINC000898928935 620608901 /nfs/dbraw/zinc/60/89/01/620608901.db2.gz MPDLHFBLXJMCOG-CJNGLKHVSA-N -1 3 276.380 3.154 20 0 CGADHM CCc1cccc(CN2CC3(CCC3)[C@](F)(C(=O)[O-])C2)c1 ZINC000901909870 621066942 /nfs/dbraw/zinc/06/69/42/621066942.db2.gz DMPJEXQXEDSMBS-QGZVFWFLSA-N -1 3 291.366 3.028 20 0 CGADHM Cc1cc(CN[C@H]2CS[C@@H](C(C)(C)C)C2)oc1C(=O)[O-] ZINC000901939914 621071156 /nfs/dbraw/zinc/07/11/56/621071156.db2.gz XDBYJXBLCYSYMJ-ZYHUDNBSSA-N -1 3 297.420 3.296 20 0 CGADHM CCCc1ccc(CN2CCCC[C@H]2C(=O)[O-])s1 ZINC000901966014 621081707 /nfs/dbraw/zinc/08/17/07/621081707.db2.gz BWJXLHUGFDUCTK-ZDUSSCGKSA-N -1 3 267.394 3.140 20 0 CGADHM O=C([O-])[C@H]1C[C@@H](C2CCCCC2)CN1Cc1ccco1 ZINC000902046621 621115486 /nfs/dbraw/zinc/11/54/86/621115486.db2.gz OERNHQKPYGGZNG-UKRRQHHQSA-N -1 3 277.364 3.135 20 0 CGADHM Cc1occc1CN1C[C@@H](C2CCCCC2)C[C@@H]1C(=O)[O-] ZINC000902048482 621116630 /nfs/dbraw/zinc/11/66/30/621116630.db2.gz WKSPLEBORRPVLX-JKSUJKDBSA-N -1 3 291.391 3.443 20 0 CGADHM CC[C@H](NCc1ccoc1C(=O)[O-])c1ccc(OC)cc1 ZINC000902072578 621125397 /nfs/dbraw/zinc/12/53/97/621125397.db2.gz GINSJLJNYQYQCX-AWEZNQCLSA-N -1 3 289.331 3.227 20 0 CGADHM Cc1oc(C(=O)[O-])cc1CN[C@H]1CCc2c1cccc2C ZINC000902231784 621205164 /nfs/dbraw/zinc/20/51/64/621205164.db2.gz RWGJMIFTFHPITI-HNNXBMFYSA-N -1 3 285.343 3.372 20 0 CGADHM C[C@@H](CNCc1ccc(C(=O)[O-])o1)Sc1ccccc1 ZINC000902318746 621241842 /nfs/dbraw/zinc/24/18/42/621241842.db2.gz SZLYBOZNDKPKQK-NSHDSACASA-N -1 3 291.372 3.248 20 0 CGADHM CCCN(CC)Cc1occ(C(F)(F)F)c1C(=O)[O-] ZINC000903887414 621822493 /nfs/dbraw/zinc/82/24/93/621822493.db2.gz QGVDTJYBXDCNAQ-UHFFFAOYSA-N -1 3 279.258 3.229 20 0 CGADHM C[C@@H]1CCN(Cc2cncc(C(=O)[O-])c2)[C@H]2CCCC[C@@H]12 ZINC000903888293 621823106 /nfs/dbraw/zinc/82/31/06/621823106.db2.gz YFBWLEHZKGCISG-KCXAZCMYSA-N -1 3 288.391 3.180 20 0 CGADHM C[C@@H](c1nc2ccccc2s1)N(C)C[C@@H]1C[C@H]1C(=O)[O-] ZINC000903887691 621823341 /nfs/dbraw/zinc/82/33/41/621823341.db2.gz AECXHXPBOBHRLH-GARJFASQSA-N -1 3 290.388 3.010 20 0 CGADHM CCc1oc(C(=O)[O-])cc1CN1CCC(CSC)CC1 ZINC000903916755 621836204 /nfs/dbraw/zinc/83/62/04/621836204.db2.gz NZDSRZWVAZCRPZ-UHFFFAOYSA-N -1 3 297.420 3.115 20 0 CGADHM O=c1cc(-c2noc(-c3ccccc3C3CCC3)n2)nc[n-]1 ZINC000904101155 621868281 /nfs/dbraw/zinc/86/82/81/621868281.db2.gz XIIIQMNUMZPNGP-UHFFFAOYSA-N -1 3 294.314 3.167 20 0 CGADHM CC[C@]1(C(=O)[O-])CCCN(Cc2cscc2Cl)C1 ZINC000904400060 621917592 /nfs/dbraw/zinc/91/75/92/621917592.db2.gz DRHTVPNOUAQXHA-ZDUSSCGKSA-N -1 3 287.812 3.478 20 0 CGADHM CCCCC1(NCc2ccc(/C=C/C(=O)[O-])o2)CC1 ZINC000905789728 622110154 /nfs/dbraw/zinc/11/01/54/622110154.db2.gz MGPHQYJZEAMMJP-VOTSOKGWSA-N -1 3 263.337 3.190 20 0 CGADHM O=C(Cc1coc2c1ccc(F)c2F)[N-]OCCC1CC1 ZINC000908384749 622347433 /nfs/dbraw/zinc/34/74/33/622347433.db2.gz XYWAJLMAWMDDFP-UHFFFAOYSA-N -1 3 295.285 3.101 20 0 CGADHM Cc1ccc(NC([O-])=NO[C@H]2CCCCO2)c(Cl)c1 ZINC000155442780 622351557 /nfs/dbraw/zinc/35/15/57/622351557.db2.gz PWRSIWLMEHARFM-LBPRGKRZSA-N -1 3 284.743 3.228 20 0 CGADHM Cc1ccc(NC(=O)[N-]O[C@H]2CCCCO2)c(Cl)c1 ZINC000155442780 622351560 /nfs/dbraw/zinc/35/15/60/622351560.db2.gz PWRSIWLMEHARFM-LBPRGKRZSA-N -1 3 284.743 3.228 20 0 CGADHM Cc1ccc2c(c1)OCCN2C(=O)c1cc(C)ccc1[O-] ZINC000154754682 624361216 /nfs/dbraw/zinc/36/12/16/624361216.db2.gz YPMBWRXVVBHJHT-UHFFFAOYSA-N -1 3 283.327 3.048 20 0 CGADHM O=C([N-]OCc1ccccc1)[C@H]1C[C@@]12CCc1ccccc12 ZINC000175119786 624613923 /nfs/dbraw/zinc/61/39/23/624613923.db2.gz LBAJAVMDSIFFCR-IEBWSBKVSA-N -1 3 293.366 3.139 20 0 CGADHM Cc1ccc(C(=O)N(C)CCc2ccccc2F)c([O-])c1 ZINC000068212475 624690089 /nfs/dbraw/zinc/69/00/89/624690089.db2.gz GYKOZQQZLJKQTC-UHFFFAOYSA-N -1 3 287.334 3.154 20 0 CGADHM CCC(CC)CC(=O)[N-]OCc1ccc(F)cc1 ZINC000184254533 625215862 /nfs/dbraw/zinc/21/58/62/625215862.db2.gz KAPFKPUNAMRLPG-UHFFFAOYSA-N -1 3 253.317 3.200 20 0 CGADHM Cc1ccc(C)c(COC(=O)c2ccc([O-])cc2)c1 ZINC000003507889 626191048 /nfs/dbraw/zinc/19/10/48/626191048.db2.gz NDPVPDYJONVHNJ-UHFFFAOYSA-N -1 3 256.301 3.366 20 0 CGADHM Cc1cc(=O)[n-]c(CSCCCCC(F)(F)F)n1 ZINC000752811685 626440128 /nfs/dbraw/zinc/44/01/28/626440128.db2.gz PBERLZCYDLGPRW-UHFFFAOYSA-N -1 3 280.315 3.456 20 0 CGADHM O=C(CCc1ccccc1F)[N-]OCc1ccc(F)cc1 ZINC000754711602 626583953 /nfs/dbraw/zinc/58/39/53/626583953.db2.gz JRCHMJIRTPCKQF-UHFFFAOYSA-N -1 3 291.297 3.145 20 0 CGADHM CC[C@@H](OC(=O)c1cncc([O-])c1)c1ccc(F)cc1F ZINC000754817302 626588617 /nfs/dbraw/zinc/58/86/17/626588617.db2.gz OQUYNFVJBWSSOW-CQSZACIVSA-N -1 3 293.269 3.374 20 0 CGADHM CC[C@@H](C)C(=O)COC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000756359099 626695781 /nfs/dbraw/zinc/69/57/81/626695781.db2.gz DUTBGJSQGHDUDT-ZCFIWIBFSA-N -1 3 278.135 3.094 20 0 CGADHM O=C(NCc1ccc([O-])c(F)c1)c1cc(Cl)cs1 ZINC000760455393 626971104 /nfs/dbraw/zinc/97/11/04/626971104.db2.gz QHWRYCAEHJBKHA-UHFFFAOYSA-N -1 3 285.727 3.176 20 0 CGADHM COc1ccc(CSCc2nc(C)cc(=O)[n-]2)cc1F ZINC000763207528 627145398 /nfs/dbraw/zinc/14/53/98/627145398.db2.gz AXUFCQZKFCNWCI-UHFFFAOYSA-N -1 3 294.351 3.072 20 0 CGADHM Cc1ccc(-c2nc(NC(=O)C=C3CC[C@H](C)C3)n[n-]2)o1 ZINC000764344031 627203781 /nfs/dbraw/zinc/20/37/81/627203781.db2.gz ZQBNLTNHPIKYNM-ANHFWZFOSA-N -1 3 286.335 3.058 20 0 CGADHM CC1(C)CCc2cc(C=Cc3nccc(=O)[n-]3)ccc2O1 ZINC000764443796 627207909 /nfs/dbraw/zinc/20/79/09/627207909.db2.gz XWZXANSOXWVBCM-XQRVVYSFSA-N -1 3 282.343 3.456 20 0 CGADHM Cc1cc(C)c(/C=C/C(=O)[N-]OCC(F)(F)F)cc1C ZINC000766769196 627359113 /nfs/dbraw/zinc/35/91/13/627359113.db2.gz UVAWVLMLTJOKIP-SNAWJCMRSA-N -1 3 287.281 3.235 20 0 CGADHM CCc1cccc(C(=O)N[C@@H](c2ccccn2)C(C)C)c1[O-] ZINC000769888962 627587273 /nfs/dbraw/zinc/58/72/73/627587273.db2.gz PAHCYXNULTZQPX-MRXNPFEDSA-N -1 3 298.386 3.477 20 0 CGADHM CC(C)c1nsc([N-]C(=O)c2scnc2C(C)C)n1 ZINC000874693879 634593113 /nfs/dbraw/zinc/59/31/13/634593113.db2.gz UUEJDDIDWHDBDF-UHFFFAOYSA-N -1 3 296.421 3.494 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CCc3cc(C)ccc32)c1 ZINC000773742235 627909603 /nfs/dbraw/zinc/90/96/03/627909603.db2.gz JFKUGHJVZOQKSU-UHFFFAOYSA-N -1 3 281.355 3.466 20 0 CGADHM O=C(C[C@H]1CCc2ccccc21)[N-]OC1CCCC1 ZINC000774867264 628044183 /nfs/dbraw/zinc/04/41/83/628044183.db2.gz HGEKXYZVPWAKCZ-CYBMUJFWSA-N -1 3 259.349 3.097 20 0 CGADHM O=[S@@](Cc1ccc(CF)cc1)c1ccc([O-])cc1 ZINC000777552352 628280719 /nfs/dbraw/zinc/28/07/19/628280719.db2.gz WJIHFWAOVRWXSU-SFHVURJKSA-N -1 3 264.321 3.170 20 0 CGADHM O=C(OCc1sc2ccccc2c1Cl)c1cnn[n-]1 ZINC000805608041 628351978 /nfs/dbraw/zinc/35/19/78/628351978.db2.gz WRRWENSVYJEFCQ-UHFFFAOYSA-N -1 3 293.735 3.030 20 0 CGADHM O=C(OCc1sc2ccccc2c1Cl)c1c[n-]nn1 ZINC000805608041 628351981 /nfs/dbraw/zinc/35/19/81/628351981.db2.gz WRRWENSVYJEFCQ-UHFFFAOYSA-N -1 3 293.735 3.030 20 0 CGADHM O=C1[N-]C(=O)C(=Cc2ccsc2C(F)(F)F)S1 ZINC000874929664 634655347 /nfs/dbraw/zinc/65/53/47/634655347.db2.gz LTOBCKKIVKDSIW-HWKANZROSA-N -1 3 279.264 3.091 20 0 CGADHM CC(C)(C)CC(=O)[N-]OCc1cccc(Cl)c1F ZINC000842061713 635271524 /nfs/dbraw/zinc/27/15/24/635271524.db2.gz OIBNUWLCFSGVTB-UHFFFAOYSA-N -1 3 273.735 3.463 20 0 CGADHM Cc1cccc([C@@H](C)OC(=O)c2cncc([O-])c2)c1 ZINC000783625751 628732983 /nfs/dbraw/zinc/73/29/83/628732983.db2.gz UDHRUSKJQFXQQO-LLVKDONJSA-N -1 3 257.289 3.014 20 0 CGADHM O=C(OCC[C@@H]1CCCCO1)c1cc(Cl)c(Cl)[n-]1 ZINC000784957416 628844450 /nfs/dbraw/zinc/84/44/50/628844450.db2.gz VRTKONHRLYCVBO-QMMMGPOBSA-N -1 3 292.162 3.438 20 0 CGADHM Cc1cccc(OCCOC(=O)c2cc3occc3[n-]2)c1 ZINC000786030091 628908199 /nfs/dbraw/zinc/90/81/99/628908199.db2.gz BXWDXUJMFDNLRP-UHFFFAOYSA-N -1 3 285.299 3.305 20 0 CGADHM Cc1ccc(C)c(C(=O)COC(=O)c2cc3occc3[n-]2)c1 ZINC000786030946 628908850 /nfs/dbraw/zinc/90/88/50/628908850.db2.gz JUPZKRXMVBADIV-UHFFFAOYSA-N -1 3 297.310 3.417 20 0 CGADHM O=C([N-][C@@H]1CCc2c1ccc(Cl)c2Cl)C(F)F ZINC000787357650 629009917 /nfs/dbraw/zinc/00/99/17/629009917.db2.gz OOZFJNYJMAHEPE-MRVPVSSYSA-N -1 3 280.101 3.362 20 0 CGADHM Cc1ccccc1[C@@H](CC(F)(F)F)[N-]C(=O)C(F)F ZINC000787586218 629018068 /nfs/dbraw/zinc/01/80/68/629018068.db2.gz KEUNGKFJYQIDPH-SECBINFHSA-N -1 3 281.224 3.370 20 0 CGADHM O=C([N-]c1cc(F)ccc1F)c1nc(Cl)cs1 ZINC000788725147 629076325 /nfs/dbraw/zinc/07/63/25/629076325.db2.gz MWLCWVAMUUOOLI-UHFFFAOYSA-N -1 3 274.679 3.327 20 0 CGADHM Cc1cc(S(=O)(=O)[N-]CCC2CCC2)sc1Cl ZINC000788901779 629089154 /nfs/dbraw/zinc/08/91/54/629089154.db2.gz VEOBJNXQGJBKFT-UHFFFAOYSA-N -1 3 293.841 3.178 20 0 CGADHM C[C@H](CNC(=O)c1cc([O-])c2ccccc2c1)C1CC1 ZINC000792083473 629335866 /nfs/dbraw/zinc/33/58/66/629335866.db2.gz ISRZACFKJMVDDS-LLVKDONJSA-N -1 3 269.344 3.321 20 0 CGADHM CSCC[C@H](C)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000792190402 629347011 /nfs/dbraw/zinc/34/70/11/629347011.db2.gz KWTIMWOCPKQJSD-NSHDSACASA-N -1 3 289.400 3.417 20 0 CGADHM C[C@@H](NC(=O)c1cc([O-])c2ccccc2c1)c1ccc[nH]1 ZINC000792283828 629353908 /nfs/dbraw/zinc/35/39/08/629353908.db2.gz WZMNUEIWNOGNBL-LLVKDONJSA-N -1 3 280.327 3.365 20 0 CGADHM CCOCCO[N-]C(=O)C[C@H]1C[C@@H](C)c2c1cccc2C ZINC000792608817 629370054 /nfs/dbraw/zinc/37/00/54/629370054.db2.gz SZWHJGMNRIUNOU-ZIAGYGMSSA-N -1 3 291.391 3.060 20 0 CGADHM CCCCC[C@H](C(=O)NCc1ncccc1[O-])C(C)C ZINC000792609573 629370451 /nfs/dbraw/zinc/37/04/51/629370451.db2.gz CRPNCNKTGGLQFP-ZDUSSCGKSA-N -1 3 278.396 3.256 20 0 CGADHM C[C@H]1C[C@H]1CO[N-]C(=O)Cc1cccc2ccccc21 ZINC000863457395 629576969 /nfs/dbraw/zinc/57/69/69/629576969.db2.gz FLPJREWJUHWURN-WFASDCNBSA-N -1 3 269.344 3.086 20 0 CGADHM CCOc1ccc(CCC(=O)[N-]OC[C@@H](C)CC)cc1 ZINC000794850582 629587735 /nfs/dbraw/zinc/58/77/35/629587735.db2.gz DWCCHRLNJMPWEE-ZDUSSCGKSA-N -1 3 279.380 3.112 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)CCC(=O)c1cc(C)ccc1C ZINC000794862296 629591022 /nfs/dbraw/zinc/59/10/22/629591022.db2.gz DBTUASKBPAPVRX-LBPRGKRZSA-N -1 3 291.391 3.360 20 0 CGADHM Cc1cc(=O)[n-]c(CSC[C@H](C)CC(C)C)n1 ZINC000798400663 630053240 /nfs/dbraw/zinc/05/32/40/630053240.db2.gz MUIDATSFWSBKQA-SNVBAGLBSA-N -1 3 254.399 3.406 20 0 CGADHM CCC[C@@H](O)CCCS[C@H](C)c1nc(C)cc(=O)[n-]1 ZINC000865379844 630089403 /nfs/dbraw/zinc/08/94/03/630089403.db2.gz BFOFKWDPLYYOBS-VXGBXAGGSA-N -1 3 284.425 3.226 20 0 CGADHM Cc1ccc(CC(=O)[N-]OC[C@H](C)CC(C)C)cc1 ZINC000799175735 630152879 /nfs/dbraw/zinc/15/28/79/630152879.db2.gz MXOFEPVKPOEJSP-CQSZACIVSA-N -1 3 263.381 3.268 20 0 CGADHM C[C@@H](OC(=O)c1cc(F)cc2[n-]nnc21)c1ccccc1 ZINC000800258526 630256679 /nfs/dbraw/zinc/25/66/79/630256679.db2.gz CHZYCWILHIYJBO-SECBINFHSA-N -1 3 285.278 3.015 20 0 CGADHM C[C@@H](OC(=O)c1cc(F)cc2nn[n-]c21)c1ccccc1 ZINC000800258526 630256681 /nfs/dbraw/zinc/25/66/81/630256681.db2.gz CHZYCWILHIYJBO-SECBINFHSA-N -1 3 285.278 3.015 20 0 CGADHM C[C@@H](OC(=O)c1cc(F)cc2n[n-]nc21)c1ccccc1 ZINC000800258526 630256684 /nfs/dbraw/zinc/25/66/84/630256684.db2.gz CHZYCWILHIYJBO-SECBINFHSA-N -1 3 285.278 3.015 20 0 CGADHM O=C(OC[C@H]1Cc2ccccc21)c1cc(-c2ccco2)[n-]n1 ZINC000803271533 630459927 /nfs/dbraw/zinc/45/99/27/630459927.db2.gz AATXGHADLDCIDQ-GFCCVEGCSA-N -1 3 294.310 3.166 20 0 CGADHM O=C(OC[C@H]1Cc2ccccc21)c1cc(-c2ccco2)n[n-]1 ZINC000803271533 630459928 /nfs/dbraw/zinc/45/99/28/630459928.db2.gz AATXGHADLDCIDQ-GFCCVEGCSA-N -1 3 294.310 3.166 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2cnc(Cl)c(C)c2)n1 ZINC000806572632 630567674 /nfs/dbraw/zinc/56/76/74/630567674.db2.gz LJCMBBRYRFRJRW-ONEGZZNKSA-N -1 3 261.712 3.018 20 0 CGADHM Cc1cccc2c(CCC(=O)[N-]OC3CCC3)c[nH]c21 ZINC000812789894 631309568 /nfs/dbraw/zinc/30/95/68/631309568.db2.gz OVWUNXFQCCCHGQ-UHFFFAOYSA-N -1 3 272.348 3.009 20 0 CGADHM O=C(Cc1ccc(Cl)c(Cl)c1)[N-]OC1CCC1 ZINC000812792610 631310889 /nfs/dbraw/zinc/31/08/89/631310889.db2.gz CUEBZKHKKOTJCQ-UHFFFAOYSA-N -1 3 274.147 3.136 20 0 CGADHM Cc1ccc(OCCCC(=O)[N-]OC2CCC2)c(Cl)c1 ZINC000812794416 631312473 /nfs/dbraw/zinc/31/24/73/631312473.db2.gz BWMZXTPLWWPTNO-UHFFFAOYSA-N -1 3 297.782 3.408 20 0 CGADHM Cc1cc([C@@H]2CCCN2Cc2c(F)ccc([O-])c2F)no1 ZINC000816487937 631991619 /nfs/dbraw/zinc/99/16/19/631991619.db2.gz CNDIDPJWTUQALO-ZDUSSCGKSA-N -1 3 294.301 3.304 20 0 CGADHM [O-]c1ccc(F)c(CN2CCC[C@H]2C2CC2)c1F ZINC000816503815 631995245 /nfs/dbraw/zinc/99/52/45/631995245.db2.gz NIMPTNIFNVWEHB-LBPRGKRZSA-N -1 3 253.292 3.045 20 0 CGADHM O=C(CCSCc1ccccc1)[N-]Oc1ccccc1 ZINC000816684074 632042161 /nfs/dbraw/zinc/04/21/61/632042161.db2.gz LVMJHRXZMKUEIE-UHFFFAOYSA-N -1 3 287.384 3.420 20 0 CGADHM Cc1nc([N-]C(=O)c2ncoc2C(F)(F)F)sc1C ZINC000816833692 632055874 /nfs/dbraw/zinc/05/58/74/632055874.db2.gz QPQDODHXGVJIML-UHFFFAOYSA-N -1 3 291.254 3.019 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)C1(Cc2ccccc2)CCC1 ZINC000816976973 632067561 /nfs/dbraw/zinc/06/75/61/632067561.db2.gz NSZQBBKZEAGZDF-CQSZACIVSA-N -1 3 275.392 3.493 20 0 CGADHM O=C(CCC(=O)c1ccc2ccccc2c1)[N-]OCC1CC1 ZINC000817339541 632127509 /nfs/dbraw/zinc/12/75/09/632127509.db2.gz MYGGPSWMLIEXQN-UHFFFAOYSA-N -1 3 297.354 3.261 20 0 CGADHM CC(C)(C)c1ccc(CCC(=O)[N-]OCC2CC2)cc1 ZINC000817354480 632129793 /nfs/dbraw/zinc/12/97/93/632129793.db2.gz NWECWFFWMMFVOK-UHFFFAOYSA-N -1 3 275.392 3.375 20 0 CGADHM CC(C)(CCC(=O)[N-]OCC1CC1)c1ccccc1 ZINC000817349839 632130487 /nfs/dbraw/zinc/13/04/87/632130487.db2.gz JCCLXPHDPODQPJ-UHFFFAOYSA-N -1 3 261.365 3.202 20 0 CGADHM O=C(Cc1coc2cc3c(cc12)CCC3)[N-]OCCC1CC1 ZINC000817383161 632134464 /nfs/dbraw/zinc/13/44/64/632134464.db2.gz FMDYAYKEJRWNIV-UHFFFAOYSA-N -1 3 299.370 3.312 20 0 CGADHM O=C(CCSCc1ccccc1)[N-]OCCC1CC1 ZINC000817416543 632146293 /nfs/dbraw/zinc/14/62/93/632146293.db2.gz KNLWIFQUWDOAEU-UHFFFAOYSA-N -1 3 279.405 3.158 20 0 CGADHM CC1(C)CCCC[C@@H]1CC(=O)[N-]OCCC1CC1 ZINC000817425564 632150998 /nfs/dbraw/zinc/15/09/98/632150998.db2.gz HRUBAUSPJSHARR-CYBMUJFWSA-N -1 3 253.386 3.441 20 0 CGADHM Cc1ccccc1[C@H]1CCCN1C(=O)c1ccc(N)cc1[O-] ZINC000817915165 632235241 /nfs/dbraw/zinc/23/52/41/632235241.db2.gz HXYATAJBHQFEOB-MRXNPFEDSA-N -1 3 296.370 3.260 20 0 CGADHM CCCO[N-]C(=O)CC(C)(C)CC(=O)c1ccccc1 ZINC000844088934 635819869 /nfs/dbraw/zinc/81/98/69/635819869.db2.gz WOJGWZMXZPRRLI-UHFFFAOYSA-N -1 3 277.364 3.134 20 0 CGADHM CCCCC[C@@H](C)NC(=O)Cc1ccc([O-])c(F)c1 ZINC000822393783 632917329 /nfs/dbraw/zinc/91/73/29/632917329.db2.gz CHFJKHNGJCOSBH-LLVKDONJSA-N -1 3 267.344 3.159 20 0 CGADHM CC(=O)CCSc1nnc([N-]c2ccccc2F)s1 ZINC000018244844 633603886 /nfs/dbraw/zinc/60/38/86/633603886.db2.gz LEDZJZDYIBXCQI-UHFFFAOYSA-N -1 3 297.380 3.492 20 0 CGADHM O=C(Nc1cccc([O-])c1F)C1([C@@H]2CCCCO2)CCC1 ZINC000867058475 633660312 /nfs/dbraw/zinc/66/03/12/633660312.db2.gz DVSVYYMHMRKHMI-ZDUSSCGKSA-N -1 3 293.338 3.209 20 0 CGADHM CCOCCCCCC(=O)Nc1cccc([O-])c1F ZINC000867058539 633660978 /nfs/dbraw/zinc/66/09/78/633660978.db2.gz GWAYKKYCXMYUQQ-UHFFFAOYSA-N -1 3 269.316 3.067 20 0 CGADHM CC(C)(NC(=O)c1cc([O-])ccc1Cl)[C@H]1CCCCO1 ZINC000871169532 633717061 /nfs/dbraw/zinc/71/70/61/633717061.db2.gz NVTPTYBRMBGVKJ-CYBMUJFWSA-N -1 3 297.782 3.123 20 0 CGADHM Cc1nc(CN[C@H](C)c2cccc([O-])c2F)cs1 ZINC000872024663 633944578 /nfs/dbraw/zinc/94/45/78/633944578.db2.gz VKAYYVAAGMPPRC-MRVPVSSYSA-N -1 3 266.341 3.147 20 0 CGADHM CC(C)c1nnc([C@H](C)N[C@H](C)c2cccc([O-])c2F)[nH]1 ZINC000872050497 633973473 /nfs/dbraw/zinc/97/34/73/633973473.db2.gz BDJRFYFGFIIBCX-ZJUUUORDSA-N -1 3 292.358 3.185 20 0 CGADHM O=C(CCC[C@@H](O)c1ccccc1)[N-]OC1CCCCC1 ZINC000832553060 634070889 /nfs/dbraw/zinc/07/08/89/634070889.db2.gz LOYBZJJYRYABQE-MRXNPFEDSA-N -1 3 291.391 3.271 20 0 CGADHM O=C([N-]C[C@H]1CCC[C@H]1c1ccccc1)C(F)(F)F ZINC000833599771 634123974 /nfs/dbraw/zinc/12/39/74/634123974.db2.gz SPBRLNQLIJEVGQ-NEPJUHHUSA-N -1 3 271.282 3.249 20 0 CGADHM CC(C)CO[N-]C(=O)Cc1ccccc1OC1CCCC1 ZINC000837492261 634919467 /nfs/dbraw/zinc/91/94/67/634919467.db2.gz XUVGXFUMCBXJML-UHFFFAOYSA-N -1 3 291.391 3.254 20 0 CGADHM CC(C)(C)c1nc(C=Cc2ccc(F)nc2)cc(=O)[n-]1 ZINC000840719081 635042129 /nfs/dbraw/zinc/04/21/29/635042129.db2.gz IAWLHGTXDKGQFI-GQCTYLIASA-N -1 3 273.311 3.184 20 0 CGADHM CC[C@@H](C)N(CC(=O)[O-])Cc1cc2cc(Cl)cnc2o1 ZINC000840997084 635100644 /nfs/dbraw/zinc/10/06/44/635100644.db2.gz RSTSLMAMTYVHOO-SECBINFHSA-N -1 3 296.754 3.166 20 0 CGADHM Cc1nonc1[N-]C(=O)c1csc(C2CCCCC2)n1 ZINC000841094740 635121492 /nfs/dbraw/zinc/12/14/92/635121492.db2.gz QAHGVLVJVKSSOV-UHFFFAOYSA-N -1 3 292.364 3.135 20 0 CGADHM CCOc1ccc(NCc2cc(=O)[n-]c(C3CC3)n2)c(C)c1 ZINC000841693410 635214168 /nfs/dbraw/zinc/21/41/68/635214168.db2.gz NZUTZLQBZVXVKE-UHFFFAOYSA-N -1 3 299.374 3.379 20 0 CGADHM COC1(CCO[N-]C(=O)CCCc2ccccc2)CCC1 ZINC000842027435 635258489 /nfs/dbraw/zinc/25/84/89/635258489.db2.gz ISFZYGIUBCQMQL-UHFFFAOYSA-N -1 3 291.391 3.016 20 0 CGADHM O=C(CCC1CCCCC1)[N-]OCCc1cscn1 ZINC000842029068 635260361 /nfs/dbraw/zinc/26/03/61/635260361.db2.gz WJFTVBROTKVIMS-UHFFFAOYSA-N -1 3 282.409 3.094 20 0 CGADHM CC(C)(C)CC(=O)[N-]OCC1CCC(F)(F)CC1 ZINC000842061734 635271139 /nfs/dbraw/zinc/27/11/39/635271139.db2.gz PDTIOFCWPMVMFR-UHFFFAOYSA-N -1 3 263.328 3.296 20 0 CGADHM CC(C)(C)CC(=O)[N-]OC[C@@H]1CCCCC1(F)F ZINC000842061908 635271571 /nfs/dbraw/zinc/27/15/71/635271571.db2.gz SBLSLZMWVSYRES-JTQLQIEISA-N -1 3 263.328 3.296 20 0 CGADHM Cc1nc(C(C)C)ccc1CO[N-]C(=O)CC(C)(C)C ZINC000842061049 635271667 /nfs/dbraw/zinc/27/16/67/635271667.db2.gz ICKCIKNMMPODHD-UHFFFAOYSA-N -1 3 278.396 3.497 20 0 CGADHM CC(C)(CC(=O)[N-]OCCC(F)(F)F)CC(F)F ZINC000879566987 635812533 /nfs/dbraw/zinc/81/25/33/635812533.db2.gz KNJVPQLGDBPZHA-UHFFFAOYSA-N -1 3 277.233 3.058 20 0 CGADHM CCCO[N-]C(=O)Cc1csc2cc(C)sc12 ZINC000880419911 635998257 /nfs/dbraw/zinc/99/82/57/635998257.db2.gz SPILLDYIUGGADG-UHFFFAOYSA-N -1 3 269.391 3.272 20 0 CGADHM CC(C)(CC(=O)[N-]Oc1ccccc1F)CC(F)F ZINC000881466937 636112777 /nfs/dbraw/zinc/11/27/77/636112777.db2.gz OUFAZBFDCXVYIK-UHFFFAOYSA-N -1 3 275.270 3.307 20 0 CGADHM O=c1ccnc(C=Cc2cccc(-c3cccnc3)c2)[n-]1 ZINC000129051638 636123799 /nfs/dbraw/zinc/12/37/99/636123799.db2.gz KCGSLPUATPNRKX-VOTSOKGWSA-N -1 3 275.311 3.002 20 0 CGADHM O=C(c1cc([O-])c2ccccc2c1)N1CCC[C@H](CF)C1 ZINC000881601988 636162757 /nfs/dbraw/zinc/16/27/57/636162757.db2.gz XZDBHAZTKPCCPT-GFCCVEGCSA-N -1 3 287.334 3.367 20 0 CGADHM C/C(=C\CN1CC[C@H](C(F)(F)F)C2(CCC2)C1)C(=O)[O-] ZINC000846262667 636168941 /nfs/dbraw/zinc/16/89/41/636168941.db2.gz SRRYVVWEDVISSP-LFJXOHPOSA-N -1 3 291.313 3.072 20 0 CGADHM O=C(Nc1c([O-])cccc1Cl)C(F)=C1CCC1 ZINC000848140050 636533848 /nfs/dbraw/zinc/53/38/48/636533848.db2.gz JTDZXPDJBFNOEX-UHFFFAOYSA-N -1 3 255.676 3.392 20 0 CGADHM Cc1cc(C=Cc2nccc(=O)[n-]2)ccc1Br ZINC000131761896 636749080 /nfs/dbraw/zinc/74/90/80/636749080.db2.gz INWIDBQEZQEXOQ-HWKANZROSA-N -1 3 291.148 3.011 20 0 CGADHM COc1cncc(C=Cc2cc(=O)[n-]c(C(C)(C)C)n2)c1 ZINC000849248656 636780470 /nfs/dbraw/zinc/78/04/70/636780470.db2.gz XBBVNFRWBPOAHZ-AATRIKPKSA-N -1 3 285.347 3.054 20 0 CGADHM CC(C)CO[N-]C(=O)Cc1ccc(Cl)cc1Cl ZINC000135327127 637116600 /nfs/dbraw/zinc/11/66/00/637116600.db2.gz RGGRJCYFCJQOEG-UHFFFAOYSA-N -1 3 276.163 3.240 20 0 CGADHM Cc1ccc(CCC(=O)[N-]OCC(C)C)cc1Cl ZINC000135330843 637118387 /nfs/dbraw/zinc/11/83/87/637118387.db2.gz RLQANKNWLQFKHD-UHFFFAOYSA-N -1 3 269.772 3.285 20 0 CGADHM O=[S@@](CC[C@@H]1CCCC1(F)F)c1ccc([O-])cc1 ZINC000887364584 637804727 /nfs/dbraw/zinc/80/47/27/637804727.db2.gz NVZKXLNSPQCWFX-YPMLDQLKSA-N -1 3 274.332 3.325 20 0 CGADHM CC(C)[C@H](C)O[N-]C(=O)Cc1cccc2ccccc21 ZINC000853668926 637887744 /nfs/dbraw/zinc/88/77/44/637887744.db2.gz FWPMXRKUPOCKKD-ZDUSSCGKSA-N -1 3 271.360 3.475 20 0 CGADHM CO[C@H](CO[N-]C(=O)CC(C)(C)C)C1CCCCC1 ZINC000853706649 637897846 /nfs/dbraw/zinc/89/78/46/637897846.db2.gz MVJFQTRUAZFESM-CYBMUJFWSA-N -1 3 271.401 3.066 20 0 CGADHM O=C([N-]CCCSC[C@@H]1CC[C@H]2C[C@H]2C1)C(F)(F)F ZINC000853781165 637920980 /nfs/dbraw/zinc/92/09/80/637920980.db2.gz KITLYZYOOUEYEC-OUAUKWLOSA-N -1 3 295.370 3.224 20 0 CGADHM C[C@@]1(CNC(=O)c2cc([O-])c3ccccc3c2)CC1(F)F ZINC000855799368 638252424 /nfs/dbraw/zinc/25/24/24/638252424.db2.gz VRUPGTCHYMSHLN-HNNXBMFYSA-N -1 3 291.297 3.321 20 0 CGADHM CC1(C)OCC[C@@H]1CNC(=O)c1cc([O-])c2ccccc2c1 ZINC000856263541 638329354 /nfs/dbraw/zinc/32/93/54/638329354.db2.gz NLUDVPQXEMEXKN-CQSZACIVSA-N -1 3 299.370 3.090 20 0 CGADHM O=C(c1cc([O-])c2ccccc2c1)N1CC(CC2CC2)C1 ZINC000857408227 638504758 /nfs/dbraw/zinc/50/47/58/638504758.db2.gz HYFWROHHIHODJB-UHFFFAOYSA-N -1 3 281.355 3.418 20 0 CGADHM CCc1ccc(NC(=O)c2[n-]cnc2C(F)(F)F)cc1 ZINC000857430288 638505928 /nfs/dbraw/zinc/50/59/28/638505928.db2.gz FBQNHFOROQEUQO-UHFFFAOYSA-N -1 3 283.253 3.243 20 0 CGADHM CCc1ccc(NC(=O)c2nc[n-]c2C(F)(F)F)cc1 ZINC000857430288 638505930 /nfs/dbraw/zinc/50/59/30/638505930.db2.gz FBQNHFOROQEUQO-UHFFFAOYSA-N -1 3 283.253 3.243 20 0 CGADHM CCc1cccc(C(=O)N(CC(F)(F)F)C2CC2)c1[O-] ZINC000857509451 638512062 /nfs/dbraw/zinc/51/20/62/638512062.db2.gz KHAMOOQAXRIUHC-UHFFFAOYSA-N -1 3 287.281 3.122 20 0 CGADHM CCc1onc(C)c1CN[C@H](C)c1cccc([O-])c1F ZINC000927133167 638846166 /nfs/dbraw/zinc/84/61/66/638846166.db2.gz AKLDLLSDONGFQU-SECBINFHSA-N -1 3 278.327 3.241 20 0 CGADHM Cc1nc2c(c(=O)[n-]1)CN([C@@H](C)c1ccc(Cl)cc1)C2 ZINC000931311348 639133549 /nfs/dbraw/zinc/13/35/49/639133549.db2.gz HSEBLKMYSGLAIO-VIFPVBQESA-N -1 3 289.766 3.221 20 0 CGADHM O=C([O-])[C@@H](NCc1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000074403447 639256379 /nfs/dbraw/zinc/25/63/79/639256379.db2.gz LRNHRKGGBZWPSM-AWEZNQCLSA-N -1 3 293.725 3.395 20 0 CGADHM Cc1cc(C/N=C/c2cc(Br)ccc2[O-])no1 ZINC000049064723 640080435 /nfs/dbraw/zinc/08/04/35/640080435.db2.gz HASVBSMORSHEOF-MKMNVTDBSA-N -1 3 295.136 3.070 20 0 CGADHM CCc1cc(O)ccc1NC(=O)c1cc(C)ccc1[O-] ZINC000191052331 640286066 /nfs/dbraw/zinc/28/60/66/640286066.db2.gz HGVDIOOACPLKHT-UHFFFAOYSA-N -1 3 271.316 3.221 20 0 CGADHM O=C(c1cc2sccc2c([O-])c1)N1CCCCC1 ZINC000082319750 640572662 /nfs/dbraw/zinc/57/26/62/640572662.db2.gz HDUFACUDWJLTOS-UHFFFAOYSA-N -1 3 261.346 3.233 20 0 CGADHM COCc1ccc(NC(=O)c2ccc(C)cc2[O-])cc1 ZINC000195257730 640575790 /nfs/dbraw/zinc/57/57/90/640575790.db2.gz MWFDCOPRVQDJRZ-UHFFFAOYSA-N -1 3 271.316 3.099 20 0 CGADHM Cc1cscc1CNCc1cc(C(=O)[O-])cs1 ZINC000095005491 640807920 /nfs/dbraw/zinc/80/79/20/640807920.db2.gz UFNGOFYUVDDJPE-UHFFFAOYSA-N -1 3 267.375 3.106 20 0 CGADHM O=C(/C=C/c1ccc(O)cc1)Nc1cc(Cl)ccc1[O-] ZINC000096751121 640837021 /nfs/dbraw/zinc/83/70/21/640837021.db2.gz CMMUJUDQNSOSKK-FPYGCLRLSA-N -1 3 289.718 3.403 20 0 CGADHM CC1(NCc2ccc(C(=O)[O-])cc2Br)CCC1 ZINC000232798011 960297543 /nfs/dbraw/zinc/29/75/43/960297543.db2.gz ZQLPCLBWXWLLNF-UHFFFAOYSA-N -1 3 298.180 3.180 20 0 CGADHM Cc1cccc([O-])c1C(=O)NCCc1cccc2[nH]ccc21 ZINC001155583010 805595447 /nfs/dbraw/zinc/59/54/47/805595447.db2.gz GTURIQJUMBUTBE-UHFFFAOYSA-N -1 3 294.354 3.154 20 0 CGADHM Cc1ccc2cc(C(=O)Nc3cncc([O-])c3)cc(C)c2n1 ZINC001156641549 805721278 /nfs/dbraw/zinc/72/12/78/805721278.db2.gz JMLQHXGPQZKNPU-UHFFFAOYSA-N -1 3 293.326 3.205 20 0 CGADHM CC(=O)Nc1ccc2[nH]c(-c3cccc([O-])c3F)nc2c1 ZINC001251255267 805871982 /nfs/dbraw/zinc/87/19/82/805871982.db2.gz KBZCDQHOLNKFSH-UHFFFAOYSA-N -1 3 285.278 3.033 20 0 CGADHM COCOc1ccc2[nH]c(-c3cc([O-])cc(F)c3)nc2c1 ZINC001251569468 805908498 /nfs/dbraw/zinc/90/84/98/805908498.db2.gz HRUPXZFQYNILMD-UHFFFAOYSA-N -1 3 288.278 3.057 20 0 CGADHM Cc1ccc(-c2nnc(Cc3ccc(F)cc3)o2)c([O-])c1 ZINC001251883398 805948470 /nfs/dbraw/zinc/94/84/70/805948470.db2.gz RVYYRPUWVGGGKD-UHFFFAOYSA-N -1 3 284.290 3.481 20 0 CGADHM COc1cccc(-c2nnc(-c3ccc(F)cc3)o2)c1[O-] ZINC001252163185 806027077 /nfs/dbraw/zinc/02/70/77/806027077.db2.gz MWPIAARSRQTFRK-UHFFFAOYSA-N -1 3 286.262 3.257 20 0 CGADHM CCCCS(=O)(=O)[N-]c1cc2c(s1)CCCC2 ZINC001253793410 806311349 /nfs/dbraw/zinc/31/13/49/806311349.db2.gz QAIWJRPBABZHNX-UHFFFAOYSA-N -1 3 273.423 3.169 20 0 CGADHM CC(C)(Cl)c1cn(-c2ccc(Cl)cc2[O-])nn1 ZINC001254164949 806357493 /nfs/dbraw/zinc/35/74/93/806357493.db2.gz DAHWZDBGASEVJH-UHFFFAOYSA-N -1 3 272.135 3.100 20 0 CGADHM [O-]c1cc(Cl)ccc1-n1cc(C2CCCC2)nn1 ZINC001254165290 806357693 /nfs/dbraw/zinc/35/76/93/806357693.db2.gz VJINQXUGXYFAGL-UHFFFAOYSA-N -1 3 263.728 3.284 20 0 CGADHM Cc1ccccc1S(=O)(=O)[N-]c1ccnc(C2CC2)c1 ZINC001254526250 806441690 /nfs/dbraw/zinc/44/16/90/806441690.db2.gz IWBOKKNHVNURGM-UHFFFAOYSA-N -1 3 288.372 3.068 20 0 CGADHM C[C@H]1CCCC[C@@H]1CNc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001162530765 806614541 /nfs/dbraw/zinc/61/45/41/806614541.db2.gz OJINSINAAYPHTO-WDEREUQCSA-N -1 3 289.358 3.244 20 0 CGADHM C[C@H]1CCCC[C@@H]1CNc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001162530765 806614545 /nfs/dbraw/zinc/61/45/45/806614545.db2.gz OJINSINAAYPHTO-WDEREUQCSA-N -1 3 289.358 3.244 20 0 CGADHM CC(C)(C)c1nc(CN[C@@H]2CCC[C@H](C(=O)[O-])C2)cs1 ZINC000070570426 798915776 /nfs/dbraw/zinc/91/57/76/798915776.db2.gz OMIHTIAZMBRURU-WDEREUQCSA-N -1 3 296.436 3.174 20 0 CGADHM Brc1nnc([N-]c2ccsc2)s1 ZINC000085535877 798942709 /nfs/dbraw/zinc/94/27/09/798942709.db2.gz ITWOSSPPENWOGY-UHFFFAOYSA-N -1 3 262.157 3.106 20 0 CGADHM CC(C)CC[C@H](C)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC000315372515 799236050 /nfs/dbraw/zinc/23/60/50/799236050.db2.gz RSQZLWJTUAYAFA-VHSXEESVSA-N -1 3 270.398 3.317 20 0 CGADHM Cc1cc(C)c(-c2noc(-c3ccccc3[O-])n2)cn1 ZINC000397383883 799516852 /nfs/dbraw/zinc/51/68/52/799516852.db2.gz YCSWQMMSZSNQCE-UHFFFAOYSA-N -1 3 267.288 3.121 20 0 CGADHM COc1cccc([O-])c1C(=O)N1CC[C@H](c2ccccc2)C1 ZINC000405326352 799582579 /nfs/dbraw/zinc/58/25/79/799582579.db2.gz UMBIJEAMZFZTIQ-AWEZNQCLSA-N -1 3 297.354 3.031 20 0 CGADHM COc1cccc([O-])c1C(=O)NCC[C@@H](C)c1ccccc1 ZINC000405491136 799585143 /nfs/dbraw/zinc/58/51/43/799585143.db2.gz PDQTZAKFKMLZPU-CYBMUJFWSA-N -1 3 299.370 3.324 20 0 CGADHM COc1cccc([O-])c1C(=O)NCC[C@H](C)c1ccccc1 ZINC000405491147 799585252 /nfs/dbraw/zinc/58/52/52/799585252.db2.gz PDQTZAKFKMLZPU-ZDUSSCGKSA-N -1 3 299.370 3.324 20 0 CGADHM CC(C)(C)CCc1noc(-c2cc3c(cc2[O-])OCO3)n1 ZINC000436688853 799612123 /nfs/dbraw/zinc/61/21/23/799612123.db2.gz PDNQBBPZTWREHI-UHFFFAOYSA-N -1 3 290.319 3.150 20 0 CGADHM CCC(F)(F)C(C)(C)CNCc1cc(C(=O)[O-])co1 ZINC000695411164 799829396 /nfs/dbraw/zinc/82/93/96/799829396.db2.gz ITFQJWRJIVUHKS-UHFFFAOYSA-N -1 3 275.295 3.139 20 0 CGADHM Cc1cccc([O-])c1C(=O)N(C)Cc1ccccc1F ZINC000706631052 799964457 /nfs/dbraw/zinc/96/44/57/799964457.db2.gz GJAKXLVOMSBHLE-UHFFFAOYSA-N -1 3 273.307 3.112 20 0 CGADHM Cc1cccc([O-])c1C(=O)NC[C@H]1CCC[C@H](C)C1 ZINC000706627830 799964636 /nfs/dbraw/zinc/96/46/36/799964636.db2.gz AGBZDINDCXSNGL-AAEUAGOBSA-N -1 3 261.365 3.257 20 0 CGADHM CCCCCc1nnc(-c2cc(OC)ccc2[O-])o1 ZINC001256068324 806809571 /nfs/dbraw/zinc/80/95/71/806809571.db2.gz QHUFPVPMQADRAK-UHFFFAOYSA-N -1 3 262.309 3.184 20 0 CGADHM CCCN(Cc1ccccc1)Cc1cncc(C(=O)[O-])c1 ZINC000721584229 800295486 /nfs/dbraw/zinc/29/54/86/800295486.db2.gz IOSYHBQBAFAOSF-UHFFFAOYSA-N -1 3 284.359 3.192 20 0 CGADHM S=c1ccc(N[C@H](c2ccccc2)c2ccncc2)n[n-]1 ZINC001164068445 806885056 /nfs/dbraw/zinc/88/50/56/806885056.db2.gz HWRLFWLQGALIDV-MRXNPFEDSA-N -1 3 294.383 3.362 20 0 CGADHM C[C@H]1C[C@@H]1c1nnc(-c2ccc([O-])c3ncccc23)o1 ZINC001256649916 806940463 /nfs/dbraw/zinc/94/04/63/806940463.db2.gz XZQAFVNJYRMLSJ-KWQFWETISA-N -1 3 267.288 3.114 20 0 CGADHM CCN(Cc1ccccc1F)C(=O)c1ccccc1[O-] ZINC001116448188 802355203 /nfs/dbraw/zinc/35/52/03/802355203.db2.gz MWLROPLDKHBBEU-UHFFFAOYSA-N -1 3 273.307 3.194 20 0 CGADHM CC(C)c1nc(CN[C@H](C)CCCCC(=O)[O-])cs1 ZINC001116762086 802407717 /nfs/dbraw/zinc/40/77/17/802407717.db2.gz AFXINXRRGCAMKX-LLVKDONJSA-N -1 3 284.425 3.390 20 0 CGADHM COC(=O)Cc1ccccc1-c1ccc2c(c1)[N-]C(=S)C2 ZINC001243958732 803100899 /nfs/dbraw/zinc/10/08/99/803100899.db2.gz CVFHPGNSEKXDMZ-UHFFFAOYSA-N -1 3 297.379 3.365 20 0 CGADHM O=C1CCCc2cc(-c3ccc(-c4nnn[n-]4)cc3)ccc21 ZINC001243990966 803126239 /nfs/dbraw/zinc/12/62/39/803126239.db2.gz QTCFOLDTGIMREE-UHFFFAOYSA-N -1 3 290.326 3.053 20 0 CGADHM O=C1CCCc2cc(-c3ccc(-c4nn[n-]n4)cc3)ccc21 ZINC001243990966 803126242 /nfs/dbraw/zinc/12/62/42/803126242.db2.gz QTCFOLDTGIMREE-UHFFFAOYSA-N -1 3 290.326 3.053 20 0 CGADHM COc1cc(C(=O)[O-])cc(-c2nc(C)cc3[nH]ccc32)c1 ZINC001244176553 803225909 /nfs/dbraw/zinc/22/59/09/803225909.db2.gz VJXRIXWJAASJEM-UHFFFAOYSA-N -1 3 282.299 3.245 20 0 CGADHM CCOc1cc(-c2ccc(-c3nnn[n-]3)c(F)c2)ccc1C ZINC001244442947 803367731 /nfs/dbraw/zinc/36/77/31/803367731.db2.gz ZEMXARDWUXLFSE-UHFFFAOYSA-N -1 3 298.321 3.380 20 0 CGADHM CCOc1cc(-c2ccc(-c3nn[n-]n3)c(F)c2)ccc1C ZINC001244442947 803367733 /nfs/dbraw/zinc/36/77/33/803367733.db2.gz ZEMXARDWUXLFSE-UHFFFAOYSA-N -1 3 298.321 3.380 20 0 CGADHM Cc1nccc(-c2cc(OC(F)(F)F)ccc2[O-])n1 ZINC001244454885 803377087 /nfs/dbraw/zinc/37/70/87/803377087.db2.gz BBWSZAFUTAIFFE-UHFFFAOYSA-N -1 3 270.210 3.056 20 0 CGADHM CCc1ccc(-c2cc(OC(F)(F)F)ccc2[O-])nn1 ZINC001244456879 803378582 /nfs/dbraw/zinc/37/85/82/803378582.db2.gz ILFWTPPVINTURD-UHFFFAOYSA-N -1 3 284.237 3.310 20 0 CGADHM Cc1nccnc1-c1cc(OC(F)(F)F)ccc1[O-] ZINC001244457426 803380068 /nfs/dbraw/zinc/38/00/68/803380068.db2.gz XGHISLVEWBJZCO-UHFFFAOYSA-N -1 3 270.210 3.056 20 0 CGADHM [O-]c1ccc(OC(F)(F)F)cc1-c1cn2ccnc2cn1 ZINC001244461890 803381307 /nfs/dbraw/zinc/38/13/07/803381307.db2.gz PTWVHUHQCLOBQC-UHFFFAOYSA-N -1 3 295.220 3.001 20 0 CGADHM Cc1[nH]c2c(ncnc2-c2cc(C)c(F)c([O-])c2)c1C ZINC001244506741 803409727 /nfs/dbraw/zinc/40/97/27/803409727.db2.gz HSVNINJTTSZGPV-UHFFFAOYSA-N -1 3 271.295 3.395 20 0 CGADHM Cc1cc(-c2nccc3c2C(=O)OC3(C)C)cc([O-])c1F ZINC001244505598 803410171 /nfs/dbraw/zinc/41/01/71/803410171.db2.gz HLBOIFSVQOPBMU-UHFFFAOYSA-N -1 3 287.290 3.307 20 0 CGADHM Cc1cc(-c2ncc3c(n2)CCCC3)cc([O-])c1F ZINC001244507645 803411734 /nfs/dbraw/zinc/41/17/34/803411734.db2.gz NGOZOGHLAFSWSD-UHFFFAOYSA-N -1 3 258.296 3.176 20 0 CGADHM COC(=O)Cc1ccccc1-c1cc(C)c(F)c([O-])c1 ZINC001244516666 803413380 /nfs/dbraw/zinc/41/33/80/803413380.db2.gz ASSHPSFHDPEXOV-UHFFFAOYSA-N -1 3 274.291 3.222 20 0 CGADHM Cc1cc(-c2ccc(C3=NNC(=O)CC3)cc2)cc([O-])c1F ZINC001244521256 803414768 /nfs/dbraw/zinc/41/47/68/803414768.db2.gz QRJZDBLIIYYTFX-UHFFFAOYSA-N -1 3 298.317 3.121 20 0 CGADHM COC(=O)c1cc(F)cc(-c2cc(C)c(F)c([O-])c2)c1 ZINC001244520216 803415209 /nfs/dbraw/zinc/41/52/09/803415209.db2.gz LNZCGTIPPJELBG-UHFFFAOYSA-N -1 3 278.254 3.432 20 0 CGADHM COc1c(C)nc(C2CC2)nc1-c1cc(C)c(F)c([O-])c1 ZINC001244518250 803415409 /nfs/dbraw/zinc/41/54/09/803415409.db2.gz SDEAYPMFAAUPQJ-UHFFFAOYSA-N -1 3 288.322 3.491 20 0 CGADHM Cc1cc(-c2cccn(CC(C)C)c2=O)cc([O-])c1F ZINC001244525382 803418696 /nfs/dbraw/zinc/41/86/96/803418696.db2.gz MURUGBSGUSWPAW-UHFFFAOYSA-N -1 3 275.323 3.324 20 0 CGADHM Cc1cc(-c2cccn(C3CCC3)c2=O)cc([O-])c1F ZINC001244525407 803418838 /nfs/dbraw/zinc/41/88/38/803418838.db2.gz OJSYGDSDLGFTKK-UHFFFAOYSA-N -1 3 273.307 3.393 20 0 CGADHM COCOc1ccc(-c2cc(C)c([O-])c(Cl)c2)nc1 ZINC001244531970 803423156 /nfs/dbraw/zinc/42/31/56/803423156.db2.gz RNZATHXEUBCIDP-UHFFFAOYSA-N -1 3 279.723 3.399 20 0 CGADHM Cc1cc(-c2ccccc2S(C)(=O)=O)cc(Cl)c1[O-] ZINC001244537638 803425117 /nfs/dbraw/zinc/42/51/17/803425117.db2.gz OBMKIBWCDVWGOA-UHFFFAOYSA-N -1 3 296.775 3.425 20 0 CGADHM CCn1ccc(-c2cc(C)c([O-])c(Cl)c2)cc1=O ZINC001244553133 803434705 /nfs/dbraw/zinc/43/47/05/803434705.db2.gz DICIFTUCSUDRJT-UHFFFAOYSA-N -1 3 263.724 3.203 20 0 CGADHM CC(=O)c1ccc(C(=O)[N-]c2cscc2Cl)o1 ZINC001133071125 803452843 /nfs/dbraw/zinc/45/28/43/803452843.db2.gz ZMPBDHYWBAEWRO-UHFFFAOYSA-N -1 3 269.709 3.449 20 0 CGADHM CN(C)Cc1cncc(-c2ccc(Cl)c([O-])c2F)c1 ZINC001244633437 803475933 /nfs/dbraw/zinc/47/59/33/803475933.db2.gz KTXMICGKADMLQK-UHFFFAOYSA-N -1 3 280.730 3.308 20 0 CGADHM CON(C)C(=O)c1ccccc1-c1cc(Cl)ccc1[O-] ZINC001245051761 803622918 /nfs/dbraw/zinc/62/29/18/803622918.db2.gz GYTTVPVBHXFHLE-UHFFFAOYSA-N -1 3 291.734 3.346 20 0 CGADHM Oc1ccc(Cl)cc1-c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001245054110 803624082 /nfs/dbraw/zinc/62/40/82/803624082.db2.gz AGDJHFXWYHMSOI-UHFFFAOYSA-N -1 3 290.685 3.032 20 0 CGADHM Oc1ccc(Cl)cc1-c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001245054110 803624088 /nfs/dbraw/zinc/62/40/88/803624088.db2.gz AGDJHFXWYHMSOI-UHFFFAOYSA-N -1 3 290.685 3.032 20 0 CGADHM [O-]c1ccc(-c2ccc(-n3cccc3)nn2)c(Cl)c1 ZINC001245081499 803636529 /nfs/dbraw/zinc/63/65/29/803636529.db2.gz HJRRIMRQIKDQNV-UHFFFAOYSA-N -1 3 271.707 3.293 20 0 CGADHM Cc1cccc([O-])c1C(=O)N[C@H](C)Cc1ccccc1F ZINC001136366160 803641410 /nfs/dbraw/zinc/64/14/10/803641410.db2.gz XIRJVHNTGPECRT-GFCCVEGCSA-N -1 3 287.334 3.201 20 0 CGADHM CCC[C@H]1CCCC[C@@H]1NC(=O)c1ccccc1[O-] ZINC001136622774 803648669 /nfs/dbraw/zinc/64/86/69/803648669.db2.gz RXNNBLTVSJKQHV-JSGCOSHPSA-N -1 3 261.365 3.481 20 0 CGADHM Cc1ccc(-c2cccc(Cl)c2N)cc1-c1nnn[n-]1 ZINC001245182883 803659431 /nfs/dbraw/zinc/65/94/31/803659431.db2.gz XNTXLDGLBQVDHC-UHFFFAOYSA-N -1 3 285.738 3.078 20 0 CGADHM Cc1ccc(-c2cccc(Cl)c2N)cc1-c1nn[n-]n1 ZINC001245182883 803659435 /nfs/dbraw/zinc/65/94/35/803659435.db2.gz XNTXLDGLBQVDHC-UHFFFAOYSA-N -1 3 285.738 3.078 20 0 CGADHM CC(=O)c1cccnc1Nc1ccc([O-])c(F)c1F ZINC001212000079 814964812 /nfs/dbraw/zinc/96/48/12/814964812.db2.gz MFCLLXSQFPTTNU-UHFFFAOYSA-N -1 3 264.231 3.012 20 0 CGADHM [O-]c1ccc(Nc2cn(CC3CC3)cn2)c(F)c1F ZINC001212005569 814965654 /nfs/dbraw/zinc/96/56/54/814965654.db2.gz NVRAKAQUWFUYTO-UHFFFAOYSA-N -1 3 265.263 3.021 20 0 CGADHM O=c1cc[nH]c(Cl)c1Nc1ccc([O-])c(F)c1F ZINC001212005282 814965888 /nfs/dbraw/zinc/96/58/88/814965888.db2.gz FHYAYEOVTQRKIB-UHFFFAOYSA-N -1 3 272.638 3.168 20 0 CGADHM Cc1cc(F)c(-c2cccc(-c3nnn[n-]3)c2)cc1F ZINC001245544143 803802238 /nfs/dbraw/zinc/80/22/38/803802238.db2.gz WHIOHUILLFFQDZ-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM Cc1cc(F)c(-c2cccc(-c3nn[n-]n3)c2)cc1F ZINC001245544143 803802244 /nfs/dbraw/zinc/80/22/44/803802244.db2.gz WHIOHUILLFFQDZ-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM COCOc1cccc(Nc2ccc([O-])c(F)c2F)c1 ZINC001212013666 814966869 /nfs/dbraw/zinc/96/68/69/814966869.db2.gz CZDZEZBQDFYDSX-UHFFFAOYSA-N -1 3 281.258 3.397 20 0 CGADHM Cc1ccc(-c2cc(F)c(C)cc2F)cc1-c1nnn[n-]1 ZINC001245545681 803804693 /nfs/dbraw/zinc/80/46/93/803804693.db2.gz VNDFUHLHPBWONP-UHFFFAOYSA-N -1 3 286.285 3.429 20 0 CGADHM Cc1ccc(-c2cc(F)c(C)cc2F)cc1-c1nn[n-]n1 ZINC001245545681 803804703 /nfs/dbraw/zinc/80/47/03/803804703.db2.gz VNDFUHLHPBWONP-UHFFFAOYSA-N -1 3 286.285 3.429 20 0 CGADHM Nc1cc2c(cnn2-c2ccc([O-])c(F)c2F)c(Cl)c1 ZINC001212013979 814967074 /nfs/dbraw/zinc/96/70/74/814967074.db2.gz SURNPGQJVRRANG-UHFFFAOYSA-N -1 3 295.676 3.245 20 0 CGADHM COC(=O)c1cccc(Nc2ccc([O-])c(F)c2F)c1F ZINC001212013774 814967102 /nfs/dbraw/zinc/96/71/02/814967102.db2.gz JEWUKJIHMLTTJU-UHFFFAOYSA-N -1 3 297.232 3.340 20 0 CGADHM CCC[C@@H](CC(C)C)C(=O)Nc1ncccc1[O-] ZINC001138164778 803869609 /nfs/dbraw/zinc/86/96/09/803869609.db2.gz FVDYYHVSUKJWKO-NSHDSACASA-N -1 3 250.342 3.188 20 0 CGADHM CC1(C)NC(=O)c2cc(-c3c([O-])cccc3F)ccc21 ZINC001245654783 803886354 /nfs/dbraw/zinc/88/63/54/803886354.db2.gz LJXVXQLPBCBSSP-UHFFFAOYSA-N -1 3 271.291 3.177 20 0 CGADHM COc1cc(-n2ccnc2)ccc1-c1c([O-])cccc1F ZINC001245657933 803892483 /nfs/dbraw/zinc/89/24/83/803892483.db2.gz UVDIUUNTIZQRRX-UHFFFAOYSA-N -1 3 284.290 3.393 20 0 CGADHM Cc1ccc(O)c(-n2[n-]c(C3CC(F)(F)C3)cc2=O)c1 ZINC001245923038 804050849 /nfs/dbraw/zinc/05/08/49/804050849.db2.gz DFYZHVIMXGYEAW-UHFFFAOYSA-N -1 3 280.274 3.105 20 0 CGADHM Cc1ncc(Nc2cc(F)c(F)cc2OC(C)C)c(=O)[n-]1 ZINC001212225506 814993721 /nfs/dbraw/zinc/99/37/21/814993721.db2.gz UEPVJURCOMWPFN-UHFFFAOYSA-N -1 3 295.289 3.300 20 0 CGADHM O=C([O-])c1ccccc1CN1CCC[C@H]1c1cccnc1 ZINC001140498050 804448477 /nfs/dbraw/zinc/44/84/77/804448477.db2.gz GMTCPCBORRRHRC-INIZCTEOSA-N -1 3 282.343 3.117 20 0 CGADHM Cc1ccc([C@H]2CCCN2Cc2ccccc2C(=O)[O-])cn1 ZINC001140502724 804448619 /nfs/dbraw/zinc/44/86/19/804448619.db2.gz BMWXSHOLVIZVOE-QGZVFWFLSA-N -1 3 296.370 3.425 20 0 CGADHM O=C([O-])c1ccc(CN2CCC(c3cccs3)CC2)o1 ZINC001140946840 804556237 /nfs/dbraw/zinc/55/62/37/804556237.db2.gz GNQRHSBAFXQEEA-UHFFFAOYSA-N -1 3 291.372 3.419 20 0 CGADHM CC[C@@H]1CCC[C@H]1CNC(=O)c1ccc(C)cc1[O-] ZINC001140981014 804561252 /nfs/dbraw/zinc/56/12/52/804561252.db2.gz FFVNXDYSQRGYBA-OLZOCXBDSA-N -1 3 261.365 3.257 20 0 CGADHM O=C(Cc1ccc2cnccc2c1)[N-]OCc1ccccc1 ZINC001141338988 804632896 /nfs/dbraw/zinc/63/28/96/804632896.db2.gz OLVUHLCUULXEND-UHFFFAOYSA-N -1 3 292.338 3.025 20 0 CGADHM CCC(C)(C)OCCNC(=O)c1ccc(C(C)C)cc1[O-] ZINC001141902367 804678098 /nfs/dbraw/zinc/67/80/98/804678098.db2.gz JWVVCSYBKPRLHL-UHFFFAOYSA-N -1 3 293.407 3.451 20 0 CGADHM [O-]c1cc(Cl)c(CN2CC[C@@H](F)C2)c(Cl)c1 ZINC001142105644 804694760 /nfs/dbraw/zinc/69/47/60/804694760.db2.gz INERVJIUVDEJFV-SSDOTTSWSA-N -1 3 264.127 3.243 20 0 CGADHM C[C@@H]1CN(Cc2c(Cl)cc([O-])cc2Cl)CCC1=O ZINC001142106052 804695298 /nfs/dbraw/zinc/69/52/98/804695298.db2.gz XQWJJEWVANCUNC-MRVPVSSYSA-N -1 3 288.174 3.110 20 0 CGADHM [O-]c1c(F)cc(F)cc1Nc1nc2c(s1)CCC2 ZINC001212477558 815033899 /nfs/dbraw/zinc/03/38/99/815033899.db2.gz IBKUDROLZCWTPQ-UHFFFAOYSA-N -1 3 268.288 3.359 20 0 CGADHM [O-]c1c(F)cc(F)cc1Nc1nccc2cnccc21 ZINC001212479525 815034604 /nfs/dbraw/zinc/03/46/04/815034604.db2.gz CUAQQLCQYAWZEX-UHFFFAOYSA-N -1 3 273.242 3.357 20 0 CGADHM CCC(C)=C(C)C(=O)Nc1cc(C(=O)OC(C)(C)C)n[n-]1 ZINC001142905604 804782427 /nfs/dbraw/zinc/78/24/27/804782427.db2.gz JUTWRVBBCFWKAN-KTKRTIGZSA-N -1 3 293.367 3.050 20 0 CGADHM CC/C(C)=C(/C)C(=O)Nc1cc(C(=O)OC(C)(C)C)[n-]n1 ZINC001142905604 804782433 /nfs/dbraw/zinc/78/24/33/804782433.db2.gz JUTWRVBBCFWKAN-KTKRTIGZSA-N -1 3 293.367 3.050 20 0 CGADHM [O-]c1c(F)cc(F)cc1Nc1cnc2ccccc2n1 ZINC001212481691 815036728 /nfs/dbraw/zinc/03/67/28/815036728.db2.gz DRUVTVIMNKALPJ-UHFFFAOYSA-N -1 3 273.242 3.357 20 0 CGADHM Nc1cccc2c1c(Cl)nn2-c1cc(F)cc(F)c1[O-] ZINC001212491347 815039676 /nfs/dbraw/zinc/03/96/76/815039676.db2.gz PGSQYTJGIFMYIX-UHFFFAOYSA-N -1 3 295.676 3.245 20 0 CGADHM Nc1ccccc1-c1ccn(-c2cc(F)cc(F)c2[O-])n1 ZINC001212491323 815039690 /nfs/dbraw/zinc/03/96/90/815039690.db2.gz NUJNAJWKXOSWSN-UHFFFAOYSA-N -1 3 287.269 3.105 20 0 CGADHM Cc1cccc2[nH]c(Nc3cc(=O)[n-]c(=S)[nH]3)cc21 ZINC001248429132 804932018 /nfs/dbraw/zinc/93/20/18/804932018.db2.gz TXCYHRSHXNIFDE-UHFFFAOYSA-N -1 3 272.333 3.004 20 0 CGADHM [O-]c1cc(F)c(CN2CCC23CCCC3)c(F)c1 ZINC001144545162 805000224 /nfs/dbraw/zinc/00/02/24/805000224.db2.gz UXGKPIMLFYKVFV-UHFFFAOYSA-N -1 3 253.292 3.189 20 0 CGADHM [O-]c1cc(F)c(CN2CCC3(CC3)CC2)c(F)c1 ZINC001144544702 805002583 /nfs/dbraw/zinc/00/25/83/805002583.db2.gz DEYSCVLMEILFGF-UHFFFAOYSA-N -1 3 253.292 3.046 20 0 CGADHM [O-]c1cc(F)c(CN2CC[C@@H](c3ccncc3)C2)c(F)c1 ZINC001144554736 805003305 /nfs/dbraw/zinc/00/33/05/805003305.db2.gz FPMFMFXZASSLAQ-GFCCVEGCSA-N -1 3 290.313 3.055 20 0 CGADHM CC(C)[C@@H]1CCCN1Cc1c(F)cc([O-])cc1F ZINC001144562055 805006944 /nfs/dbraw/zinc/00/69/44/805006944.db2.gz WRLXXRGEDMLXKH-AWEZNQCLSA-N -1 3 255.308 3.291 20 0 CGADHM CCC[C@H]1CC[C@H](C(=O)NCc2ncccc2[O-])CC1 ZINC001144644360 805020628 /nfs/dbraw/zinc/02/06/28/805020628.db2.gz OLGFVERETYTQIG-JOCQHMNTSA-N -1 3 276.380 3.010 20 0 CGADHM [O-]c1cc(F)c(CN2C[C@H]3[C@H](CCC3(F)F)C2)cc1F ZINC001144647627 805023090 /nfs/dbraw/zinc/02/30/90/805023090.db2.gz JHHLEVSVIYNHLB-SCZZXKLOSA-N -1 3 289.272 3.148 20 0 CGADHM C[C@H]1CN(Cc2cc(F)c([O-])cc2F)C2(CC2)C1 ZINC001144660021 805026759 /nfs/dbraw/zinc/02/67/59/805026759.db2.gz UVLWOHUCZKFZAY-SECBINFHSA-N -1 3 253.292 3.045 20 0 CGADHM Cc1ccccc1[C@@H](CC(C)C)NC(=O)c1cc(=O)[n-]cn1 ZINC001146487852 805070492 /nfs/dbraw/zinc/07/04/92/805070492.db2.gz CTWJXXPFAXWJNV-CQSZACIVSA-N -1 3 299.374 3.008 20 0 CGADHM CC(=O)c1cccc([O-])c1NC(=O)C1=CCCCC1 ZINC001146722972 805084474 /nfs/dbraw/zinc/08/44/74/805084474.db2.gz HQRFKXKQDKFIMX-UHFFFAOYSA-N -1 3 259.305 3.034 20 0 CGADHM CCc1cc(C(=O)Nc2ccc(F)c([O-])c2)cs1 ZINC001147710473 805145451 /nfs/dbraw/zinc/14/54/51/805145451.db2.gz HISPCTRMCXXLDT-UHFFFAOYSA-N -1 3 265.309 3.408 20 0 CGADHM COc1cccc(C(=O)Nc2ccc3c(ccn3C)c2)c1[O-] ZINC001148201695 805167830 /nfs/dbraw/zinc/16/78/30/805167830.db2.gz DQSUXNINDIFJRZ-UHFFFAOYSA-N -1 3 296.326 3.145 20 0 CGADHM [O-]c1cc(Cl)cnc1Nc1ccncc1C(F)(F)F ZINC001249583968 805180022 /nfs/dbraw/zinc/18/00/22/805180022.db2.gz AFYMLTQRXJVEOJ-UHFFFAOYSA-N -1 3 289.644 3.020 20 0 CGADHM Cc1ccc(C(=O)Nc2c(Cl)cnnc2Cl)c([O-])c1 ZINC001148492988 805189462 /nfs/dbraw/zinc/18/94/62/805189462.db2.gz XUVSACQINBZGDI-UHFFFAOYSA-N -1 3 298.129 3.050 20 0 CGADHM Cc1c(N)c(F)ccc1Nc1cc(F)c([O-])c(F)c1 ZINC001249641125 805197504 /nfs/dbraw/zinc/19/75/04/805197504.db2.gz JZQFVOOWJMPOFX-UHFFFAOYSA-N -1 3 268.238 3.444 20 0 CGADHM [O-]c1ccc(F)c(CCOc2ccccc2)c1F ZINC001249934157 805313170 /nfs/dbraw/zinc/31/31/70/805313170.db2.gz KHNAZBNXRRUEEC-UHFFFAOYSA-N -1 3 250.244 3.292 20 0 CGADHM Cc1cccc2c1nc(N)n2-c1cc([O-])c(F)c(F)c1F ZINC001249958126 805324419 /nfs/dbraw/zinc/32/44/19/805324419.db2.gz IQQXSPVAIBAPFW-UHFFFAOYSA-N -1 3 293.248 3.039 20 0 CGADHM C[C@@H]1CCN(C(=O)c2cc3sccc3c([O-])c2)C[C@@H]1F ZINC001152922114 805375230 /nfs/dbraw/zinc/37/52/30/805375230.db2.gz LGWCXASWRNVHGP-SKDRFNHKSA-N -1 3 293.363 3.427 20 0 CGADHM CCOC(=O)c1cnoc1[N-]c1ccc(F)c(C)c1F ZINC001250046118 805385417 /nfs/dbraw/zinc/38/54/17/805385417.db2.gz QLQMFIAFYTXJAL-UHFFFAOYSA-N -1 3 282.246 3.182 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])[C@H](O)C1CCCCCCC1 ZINC001153467897 805399296 /nfs/dbraw/zinc/39/92/96/805399296.db2.gz KXGALXJNARWKSE-OAHLLOKOSA-N -1 3 295.354 3.191 20 0 CGADHM NC(=O)c1ccc(Nc2c(F)ccc(Cl)c2F)cc1[O-] ZINC001250092385 805411913 /nfs/dbraw/zinc/41/19/13/805411913.db2.gz WJESBLUAHNFDML-UHFFFAOYSA-N -1 3 298.676 3.166 20 0 CGADHM O=c1[nH]c2ccccc2n1CCCc1ccc([O-])c(F)c1 ZINC001250177134 805463841 /nfs/dbraw/zinc/46/38/41/805463841.db2.gz FANDFPACICVSGX-UHFFFAOYSA-N -1 3 286.306 3.219 20 0 CGADHM COc1cc(Nc2ccc(Cl)c([O-])c2)c(F)cn1 ZINC001212590354 815078065 /nfs/dbraw/zinc/07/80/65/815078065.db2.gz IQPYYGHOAAZUFN-UHFFFAOYSA-N -1 3 268.675 3.332 20 0 CGADHM [O-]c1cc(Nc2cnc3ccccn23)ccc1Cl ZINC001212589351 815078113 /nfs/dbraw/zinc/07/81/13/815078113.db2.gz HBKDQSBZDVZIIX-UHFFFAOYSA-N -1 3 259.696 3.437 20 0 CGADHM CONC(=O)c1ccccc1Nc1ccc(Cl)c([O-])c1 ZINC001212594926 815081441 /nfs/dbraw/zinc/08/14/41/815081441.db2.gz DJCJRVDNTMWWRS-UHFFFAOYSA-N -1 3 292.722 3.080 20 0 CGADHM CC(C)(C)C(=N)NC(F)(F)c1cc(Cl)nc(=S)[n-]1 ZINC001155180343 805551275 /nfs/dbraw/zinc/55/12/75/805551275.db2.gz SJYNVVIQGWNIKM-UHFFFAOYSA-N -1 3 294.758 3.081 20 0 CGADHM COCCOc1ccccc1Nc1ncc(Cl)cc1[O-] ZINC001212635796 815090614 /nfs/dbraw/zinc/09/06/14/815090614.db2.gz GVMSVAKXOPRELF-UHFFFAOYSA-N -1 3 294.738 3.209 20 0 CGADHM Cc1ncc(Nc2ccc(C3CCOCC3)cc2)c(=O)[n-]1 ZINC001212652381 815095899 /nfs/dbraw/zinc/09/58/99/815095899.db2.gz LTRHQCLESGVJDU-UHFFFAOYSA-N -1 3 285.347 3.128 20 0 CGADHM O=c1[n-]c(NCC2(F)CCOCC2)c(Cl)cc1Cl ZINC001168123435 807313878 /nfs/dbraw/zinc/31/38/78/807313878.db2.gz YRANJCLOIHEFNK-UHFFFAOYSA-N -1 3 295.141 3.025 20 0 CGADHM Cc1cc(-c2noc(-c3cncc([O-])c3)n2)c(F)cc1F ZINC001212708435 815109296 /nfs/dbraw/zinc/10/92/96/815109296.db2.gz HVSFZXNULDNANW-UHFFFAOYSA-N -1 3 289.241 3.091 20 0 CGADHM COc1ccc([C@@H]2C[C@H](NC3=CC=C[CH]3)CCO2)cc1 ZINC001168604479 807455360 /nfs/dbraw/zinc/45/53/60/807455360.db2.gz ACCUPZYLOOTDRV-WBVHZDCISA-N -1 3 270.352 3.163 20 0 CGADHM CC[C@@H](C)C[C@@H](C)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC001168695895 807486151 /nfs/dbraw/zinc/48/61/51/807486151.db2.gz WMOTYALKEBEQTQ-GHMZBOCLSA-N -1 3 289.383 3.112 20 0 CGADHM CC[C@@H](C)C[C@@H](C)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC001168695895 807486154 /nfs/dbraw/zinc/48/61/54/807486154.db2.gz WMOTYALKEBEQTQ-GHMZBOCLSA-N -1 3 289.383 3.112 20 0 CGADHM [O-]c1ccc(Nc2cc(F)cc(CO)c2)c(F)c1F ZINC001212746326 815123645 /nfs/dbraw/zinc/12/36/45/815123645.db2.gz AJQHOGYVOXSYOO-UHFFFAOYSA-N -1 3 269.222 3.045 20 0 CGADHM C[C@H](Nc1[n-]c(=O)c(Cl)cc1Cl)c1cnccn1 ZINC001169512752 807653964 /nfs/dbraw/zinc/65/39/64/807653964.db2.gz ALBVNPVFTTZSIU-LURJTMIESA-N -1 3 285.134 3.057 20 0 CGADHM Cc1ccc(-c2ccccc2[N-]S(=O)(=O)C2CC2)o1 ZINC001259275949 807677264 /nfs/dbraw/zinc/67/72/64/807677264.db2.gz ISINUDWZKBOCQC-UHFFFAOYSA-N -1 3 277.345 3.159 20 0 CGADHM COc1ccc(C)cc1[N-]S(=O)(=O)CC1CCCCC1 ZINC001259613164 807682423 /nfs/dbraw/zinc/68/24/23/807682423.db2.gz WTFWQNUGHWCOKY-UHFFFAOYSA-N -1 3 297.420 3.326 20 0 CGADHM Cc1cccc2ccc([N-]S(=O)(=O)C3CCCC3)nc12 ZINC001259793367 807684928 /nfs/dbraw/zinc/68/49/28/807684928.db2.gz CBXNAYFIKUBCEJ-UHFFFAOYSA-N -1 3 290.388 3.228 20 0 CGADHM [O-]c1cccnc1CNc1ccc(C2=CCOCC2)cc1 ZINC001169731333 807699949 /nfs/dbraw/zinc/69/99/49/807699949.db2.gz OKSVXKOKDHAVKR-UHFFFAOYSA-N -1 3 282.343 3.203 20 0 CGADHM [O-]c1cccnc1CNc1ccc2[nH]c(C3CC3)cc2n1 ZINC001169732174 807700259 /nfs/dbraw/zinc/70/02/59/807700259.db2.gz JWGNINLCNBWMPJ-UHFFFAOYSA-N -1 3 280.331 3.153 20 0 CGADHM [O-]c1cccnc1CNc1cccc(-c2cccnc2)c1 ZINC001169732253 807701787 /nfs/dbraw/zinc/70/17/87/807701787.db2.gz JWVKOUNUOHTHEK-UHFFFAOYSA-N -1 3 277.327 3.461 20 0 CGADHM CC/C=C/[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC001261012460 807709481 /nfs/dbraw/zinc/70/94/81/807709481.db2.gz SLZDXMUKSOMMOO-ZZXKWVIFSA-N -1 3 297.273 3.047 20 0 CGADHM FC(F)(F)[C@@H](Nc1ccc(=S)[n-]n1)c1ccccc1 ZINC001170883434 807925755 /nfs/dbraw/zinc/92/57/55/807925755.db2.gz SFBBYGPSLKOZRF-NSHDSACASA-N -1 3 285.294 3.481 20 0 CGADHM COc1cccc(C(=O)Nc2ccsc2C)c1[O-] ZINC001171246008 808015494 /nfs/dbraw/zinc/01/54/94/808015494.db2.gz HTHUYMGDBNCYHP-UHFFFAOYSA-N -1 3 263.318 3.023 20 0 CGADHM O=C(N[C@@H]1C[C@H]1c1ccsc1)c1cc([O-])ccc1Cl ZINC001171499706 808080394 /nfs/dbraw/zinc/08/03/94/808080394.db2.gz WQWPBWYXNSBTKS-GXFFZTMASA-N -1 3 293.775 3.393 20 0 CGADHM [O-]c1cc(Br)cnc1Nc1ccc(F)cc1 ZINC001173797386 808673622 /nfs/dbraw/zinc/67/36/22/808673622.db2.gz KWYWWFLGTVBRMB-UHFFFAOYSA-N -1 3 283.100 3.432 20 0 CGADHM COc1ccc(Nc2nc3c(cccc3[O-])s2)cn1 ZINC001173958132 808786190 /nfs/dbraw/zinc/78/61/90/808786190.db2.gz ZISOIKWLIJRSSI-UHFFFAOYSA-N -1 3 273.317 3.149 20 0 CGADHM Cc1ccc(Nc2ccc(C(N)=O)cc2)c(Cl)c1[O-] ZINC001174049761 808845554 /nfs/dbraw/zinc/84/55/54/808845554.db2.gz BCRIZHDGBKLBGH-UHFFFAOYSA-N -1 3 276.723 3.197 20 0 CGADHM [O-]c1cc(F)c(Nc2ccc3c(c2)NCC3)c(F)c1 ZINC001213158561 815248009 /nfs/dbraw/zinc/24/80/09/815248009.db2.gz LGKJMMOUPBAAOZ-UHFFFAOYSA-N -1 3 262.259 3.382 20 0 CGADHM Cc1cnccc1Nc1c([S-])cccc1Cl ZINC001174538213 809068963 /nfs/dbraw/zinc/06/89/63/809068963.db2.gz AEOMGRFYGSBPBI-UHFFFAOYSA-N -1 3 250.754 3.498 20 0 CGADHM [O-]c1cc(F)c(Nc2cnn([C@H]3CCCCO3)c2)cc1F ZINC001174605854 809100449 /nfs/dbraw/zinc/10/04/49/809100449.db2.gz VBKVOLKDJZUSFZ-CQSZACIVSA-N -1 3 295.289 3.310 20 0 CGADHM Cc1ccc(Nc2cc(=O)[n-]c(C3CC3)n2)cc1C ZINC001174632903 809111612 /nfs/dbraw/zinc/11/16/12/809111612.db2.gz DJZUEXQBSVXFSE-UHFFFAOYSA-N -1 3 255.321 3.420 20 0 CGADHM O=c1cc(Nc2cccc3[nH]ccc32)nc(C2CC2)[n-]1 ZINC001174646590 809115555 /nfs/dbraw/zinc/11/55/55/809115555.db2.gz AUAYYWAIEVIZHE-UHFFFAOYSA-N -1 3 266.304 3.285 20 0 CGADHM Cc1cccc2c1CCN2C(=O)c1c(C)cccc1[O-] ZINC001174904135 809195826 /nfs/dbraw/zinc/19/58/26/809195826.db2.gz KLQNRIYAYLZIDK-UHFFFAOYSA-N -1 3 267.328 3.212 20 0 CGADHM COc1cc(F)c(Nc2cc(=O)[n-]c(C3CC3)n2)cc1F ZINC001174923980 809202064 /nfs/dbraw/zinc/20/20/64/809202064.db2.gz SWTYPHXCCLPFCR-UHFFFAOYSA-N -1 3 293.273 3.090 20 0 CGADHM [O-]c1c(F)cc(Nc2cc(-c3ccncc3)no2)cc1F ZINC001213375026 815272081 /nfs/dbraw/zinc/27/20/81/815272081.db2.gz MAGDSKMLPINTBV-UHFFFAOYSA-N -1 3 289.241 3.464 20 0 CGADHM [O-]c1c(F)cc(Nc2cccn3nccc23)cc1F ZINC001213377247 815273341 /nfs/dbraw/zinc/27/33/41/815273341.db2.gz FAZIOIUPUISLSV-UHFFFAOYSA-N -1 3 261.231 3.062 20 0 CGADHM CCOc1cc(F)c(Nc2ncc(F)cc2[O-])cc1F ZINC001175054240 809253821 /nfs/dbraw/zinc/25/38/21/809253821.db2.gz LGMCFDZESGYNOB-UHFFFAOYSA-N -1 3 284.237 3.347 20 0 CGADHM COc1ccc(Nc2cnc(C)[n-]c2=O)cc1C(F)(F)F ZINC001175070870 809259116 /nfs/dbraw/zinc/25/91/16/809259116.db2.gz ASGBFYUIOLWVFG-UHFFFAOYSA-N -1 3 299.252 3.262 20 0 CGADHM [O-]c1cc(F)c(Nc2ccc(C3OCCO3)cc2)c(F)c1 ZINC001175096745 809268527 /nfs/dbraw/zinc/26/85/27/809268527.db2.gz IZOYBQYHHVUTHY-UHFFFAOYSA-N -1 3 293.269 3.459 20 0 CGADHM O=c1ccc2cc(Nc3c(F)cc([O-])cc3F)ccc2[nH]1 ZINC001175098068 809269937 /nfs/dbraw/zinc/26/99/37/809269937.db2.gz XEVCDPXESSXXFX-UHFFFAOYSA-N -1 3 288.253 3.256 20 0 CGADHM O=C1CCc2c(Nc3c(F)cc([O-])cc3F)cccc2N1 ZINC001175103703 809273269 /nfs/dbraw/zinc/27/32/69/809273269.db2.gz WPGQSFJOUVQHNJ-UHFFFAOYSA-N -1 3 290.269 3.299 20 0 CGADHM [O-]c1ccc(F)c(Nc2ncc(C(F)(F)F)cn2)c1F ZINC001175260833 809328275 /nfs/dbraw/zinc/32/82/75/809328275.db2.gz CLNBPOIEIXEFIB-UHFFFAOYSA-N -1 3 291.179 3.223 20 0 CGADHM Cc1cc(F)ncc1Nc1c(F)ccc([O-])c1F ZINC001175262564 809328590 /nfs/dbraw/zinc/32/85/90/809328590.db2.gz KGVLVCIOQXHBQB-UHFFFAOYSA-N -1 3 254.211 3.257 20 0 CGADHM [O-]c1ccc(F)c(Nc2cccnc2OC(F)F)c1F ZINC001175263630 809329214 /nfs/dbraw/zinc/32/92/14/809329214.db2.gz NNSBTFPFQRHSBM-UHFFFAOYSA-N -1 3 288.200 3.410 20 0 CGADHM [O-]c1ccc(F)c(Nc2cnc3ccccc3n2)c1F ZINC001175264083 809329282 /nfs/dbraw/zinc/32/92/82/809329282.db2.gz RRMUXGNGQSQLNF-UHFFFAOYSA-N -1 3 273.242 3.357 20 0 CGADHM [O-]c1ccc(F)c(Nc2cnn3ccc(Cl)nc23)c1F ZINC001175264197 809329481 /nfs/dbraw/zinc/32/94/81/809329481.db2.gz UJGWRZXYFALJGJ-UHFFFAOYSA-N -1 3 296.664 3.110 20 0 CGADHM [O-]c1ccc(F)c(Nc2cncc(C(F)(F)F)n2)c1F ZINC001175263893 809329805 /nfs/dbraw/zinc/32/98/05/809329805.db2.gz WABRNZJXDQRGQG-UHFFFAOYSA-N -1 3 291.179 3.223 20 0 CGADHM CCOc1ncc(Nc2c(F)ccc([O-])c2F)cc1F ZINC001175263244 809330061 /nfs/dbraw/zinc/33/00/61/809330061.db2.gz QMLRDOLXTNPPPI-UHFFFAOYSA-N -1 3 284.237 3.347 20 0 CGADHM Nc1ccc2c(ccn2-c2c(F)ccc([O-])c2F)c1 ZINC001175265305 809330963 /nfs/dbraw/zinc/33/09/63/809330963.db2.gz KYIFQPLPPVEGNJ-UHFFFAOYSA-N -1 3 260.243 3.197 20 0 CGADHM COC(=O)Cc1ccccc1Nc1c(F)ccc([O-])c1F ZINC001175266374 809331691 /nfs/dbraw/zinc/33/16/91/809331691.db2.gz YVVFDBXRAQHRPM-UHFFFAOYSA-N -1 3 293.269 3.130 20 0 CGADHM O=C1OCc2c1cccc2Nc1c(F)ccc([O-])c1F ZINC001175268255 809332998 /nfs/dbraw/zinc/33/29/98/809332998.db2.gz PGBAWPAZONUGBL-UHFFFAOYSA-N -1 3 277.226 3.084 20 0 CGADHM O=c1[nH]c2cc(Nc3c(F)ccc([O-])c3F)ccc2o1 ZINC001175270055 809334056 /nfs/dbraw/zinc/33/40/56/809334056.db2.gz UMEXTKXISJJKIH-UHFFFAOYSA-N -1 3 278.214 3.261 20 0 CGADHM Cc1c(F)ccc(N)c1Nc1c(F)ccc([O-])c1F ZINC001175270330 809334619 /nfs/dbraw/zinc/33/46/19/809334619.db2.gz XRWXJQGIECXOKH-UHFFFAOYSA-N -1 3 268.238 3.444 20 0 CGADHM CC(C)c1cc([N-]C(=O)c2snnc2C(C)C)no1 ZINC001289936068 809396544 /nfs/dbraw/zinc/39/65/44/809396544.db2.gz SVCGABBYWDYATJ-UHFFFAOYSA-N -1 3 280.353 3.025 20 0 CGADHM Clc1ccc(Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001175428022 809401458 /nfs/dbraw/zinc/40/14/58/809401458.db2.gz CUZMRTCLSYCOOW-UHFFFAOYSA-N -1 3 271.711 3.264 20 0 CGADHM CC(C)c1ccc(C(=O)N2CC3(CCC3)C2)c([O-])c1 ZINC001294842354 809476158 /nfs/dbraw/zinc/47/61/58/809476158.db2.gz BSQRIPHLIIGSOM-UHFFFAOYSA-N -1 3 259.349 3.142 20 0 CGADHM COC1(C(=O)Nc2cc(F)ccc2[O-])CCCCCC1 ZINC001295978949 809496493 /nfs/dbraw/zinc/49/64/93/809496493.db2.gz KJQAUEVUNQOCCU-UHFFFAOYSA-N -1 3 281.327 3.209 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])c1ccnc(-c2ccco2)c1 ZINC001295978162 809496919 /nfs/dbraw/zinc/49/69/19/809496919.db2.gz AZJMRNAFSKEFDK-UHFFFAOYSA-N -1 3 298.273 3.439 20 0 CGADHM CCOc1ncccc1C(=O)Nc1c([O-])cccc1Cl ZINC001298550842 809533830 /nfs/dbraw/zinc/53/38/30/809533830.db2.gz PGKVLWPDUAZDJS-UHFFFAOYSA-N -1 3 292.722 3.092 20 0 CGADHM O=C(CC12CC3CC(CC(C3)C1)C2)[N-]OC/C=C\Cl ZINC001298870116 809540106 /nfs/dbraw/zinc/54/01/06/809540106.db2.gz UDAINKKHCPMHNW-UPHRSURJSA-N -1 3 283.799 3.393 20 0 CGADHM CC(=O)c1cc(NC(=O)c2cccc(C)c2[O-])ccc1C ZINC001300006202 809558600 /nfs/dbraw/zinc/55/86/00/809558600.db2.gz KLDICDDWUGDTON-UHFFFAOYSA-N -1 3 283.327 3.464 20 0 CGADHM CCCCc1cc(NC(=O)c2cc(C)ccc2[O-])n[nH]1 ZINC001300038550 809558771 /nfs/dbraw/zinc/55/87/71/809558771.db2.gz INSQWZDLPARCQI-UHFFFAOYSA-N -1 3 273.336 3.019 20 0 CGADHM CCc1ccc(C(=O)NCc2cc3cnccc3o2)c([O-])c1 ZINC001302830135 809601297 /nfs/dbraw/zinc/60/12/97/809601297.db2.gz YIKOSWPGAKGBRJ-UHFFFAOYSA-N -1 3 296.326 3.026 20 0 CGADHM Cc1cccc([O-])c1C(=O)NCC[C@@H]1CCCC1(F)F ZINC001303059678 809602927 /nfs/dbraw/zinc/60/29/27/809602927.db2.gz RLYISROCGJCVRJ-NSHDSACASA-N -1 3 283.318 3.256 20 0 CGADHM C[C@H]1CCCC[C@H]1CC(=O)[N-]Oc1ccccc1F ZINC001303333267 809608571 /nfs/dbraw/zinc/60/85/71/809608571.db2.gz YVJQCZZGXYONAB-RYUDHWBXSA-N -1 3 265.328 3.452 20 0 CGADHM Cc1ccc(Nc2ccc(=O)[nH]c2)c(Cl)c1[O-] ZINC001176131977 809632318 /nfs/dbraw/zinc/63/23/18/809632318.db2.gz MKQWNFGMMGLRIS-UHFFFAOYSA-N -1 3 250.685 3.198 20 0 CGADHM CC(C)Oc1ccc(Nc2cnc[n-]c2=O)c(Cl)c1 ZINC001176157106 809637698 /nfs/dbraw/zinc/63/76/98/809637698.db2.gz KCPSDJIDWPSFCA-UHFFFAOYSA-N -1 3 279.727 3.366 20 0 CGADHM O=c1cc(Nc2ccc(O)cc2F)[n-]n1-c1ccccc1 ZINC001176413011 809689847 /nfs/dbraw/zinc/68/98/47/809689847.db2.gz PUMMCSJVQOWHND-UHFFFAOYSA-N -1 3 285.278 3.166 20 0 CGADHM CN(C)Cc1ccccc1Nc1csc(C(=O)[O-])c1 ZINC001176438931 809697499 /nfs/dbraw/zinc/69/74/99/809697499.db2.gz GNDMZZBGZIHKEG-UHFFFAOYSA-N -1 3 276.361 3.252 20 0 CGADHM CC(C)(C)c1nc([N-]c2ccnn2Cc2ccccc2)no1 ZINC001176701051 809743252 /nfs/dbraw/zinc/74/32/52/809743252.db2.gz MYKFMAGFMDBOPR-UHFFFAOYSA-N -1 3 297.362 3.356 20 0 CGADHM Cc1ccc(-c2noc(-c3nc(C)ccc3[O-])n2)c(C)c1 ZINC001213698107 815323558 /nfs/dbraw/zinc/32/35/58/815323558.db2.gz OQLOVXJWJBKQGI-UHFFFAOYSA-N -1 3 281.315 3.429 20 0 CGADHM Cc1cc2cc(Nc3cc(=O)[n-]c(C)n3)ccc2[nH]1 ZINC001213784800 815332108 /nfs/dbraw/zinc/33/21/08/815332108.db2.gz FEMWECUSYLXUNP-UHFFFAOYSA-N -1 3 254.293 3.024 20 0 CGADHM CCC(CC)(C(=O)Nc1cc(=O)[n-]c(C)n1)c1ccccc1 ZINC001181135075 810040344 /nfs/dbraw/zinc/04/03/44/810040344.db2.gz TXDPXZCSFJAFEY-UHFFFAOYSA-N -1 3 299.374 3.187 20 0 CGADHM O=C(Nc1ccc(F)c([O-])c1)C(=O)c1ccc(Cl)cc1 ZINC001182895982 810129923 /nfs/dbraw/zinc/12/99/23/810129923.db2.gz JRXFITAINATJRP-UHFFFAOYSA-N -1 3 293.681 3.006 20 0 CGADHM CCCCOc1ccc(C(=O)N[C@H](C)C2CCC2)c([O-])c1 ZINC001183111281 810137528 /nfs/dbraw/zinc/13/75/28/810137528.db2.gz HQISWYSONYKQIL-GFCCVEGCSA-N -1 3 291.391 3.490 20 0 CGADHM CCC1(C(=O)Nc2cncc([O-])c2)CCC(F)(F)CC1 ZINC001184635432 810212392 /nfs/dbraw/zinc/21/23/92/810212392.db2.gz GZGKAJOSNROMHE-UHFFFAOYSA-N -1 3 284.306 3.331 20 0 CGADHM [O-]c1cc(F)c(Nc2cccnc2N2CCCC2)cc1F ZINC001184963875 810225437 /nfs/dbraw/zinc/22/54/37/810225437.db2.gz FGFFFTFCTQEZME-UHFFFAOYSA-N -1 3 291.301 3.409 20 0 CGADHM O=C(Nc1ccc(F)c(F)c1)Nc1cc(F)ccc1[O-] ZINC001185089588 810234215 /nfs/dbraw/zinc/23/42/15/810234215.db2.gz ISACHZCTEZGTPR-UHFFFAOYSA-N -1 3 282.221 3.454 20 0 CGADHM Cc1ccc([O-])c(NC(=O)Nc2ccc(F)c(F)c2F)n1 ZINC001185291454 810253161 /nfs/dbraw/zinc/25/31/61/810253161.db2.gz GKVOGYVNFMONKD-UHFFFAOYSA-N -1 3 297.236 3.157 20 0 CGADHM Cc1ccc(CNC(=O)Nc2ncc([O-])cc2Cl)cc1 ZINC001185376799 810259547 /nfs/dbraw/zinc/25/95/47/810259547.db2.gz ZIOCIYOUQNGNRI-UHFFFAOYSA-N -1 3 291.738 3.071 20 0 CGADHM O=C(Nc1c([O-])cccc1C(F)(F)F)NC1CCCC1 ZINC001185902852 810302206 /nfs/dbraw/zinc/30/22/06/810302206.db2.gz ONZNUBQUHMCVTN-UHFFFAOYSA-N -1 3 288.269 3.475 20 0 CGADHM CC[C@@H](C)C1CCC([N-]S(=O)(=O)c2ccco2)CC1 ZINC001186874617 810368135 /nfs/dbraw/zinc/36/81/35/810368135.db2.gz FEIDOXYJDYTHLT-PNESKVBLSA-N -1 3 285.409 3.163 20 0 CGADHM O=c1[n-]c(-c2nc(-c3ccc4occc4c3)no2)ccc1F ZINC001214085195 815365952 /nfs/dbraw/zinc/36/59/52/815365952.db2.gz HSAYJFVYXAOURY-UHFFFAOYSA-N -1 3 297.245 3.390 20 0 CGADHM O=C(Nc1ccc(F)c(Cl)c1)Nc1cncc([O-])c1 ZINC001187670807 810414724 /nfs/dbraw/zinc/41/47/24/810414724.db2.gz JPQOUVZFOYYQIC-UHFFFAOYSA-N -1 3 281.674 3.224 20 0 CGADHM Cc1ccc(C(C)C)c(O)c1C(=O)Nc1ncccc1[O-] ZINC001188166948 810461734 /nfs/dbraw/zinc/46/17/34/810461734.db2.gz GTYMHBJLBNFOJA-UHFFFAOYSA-N -1 3 286.331 3.177 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1C[C@@H]2C[C@H](C1)c1ccccc12 ZINC001188648079 810499372 /nfs/dbraw/zinc/49/93/72/810499372.db2.gz BJSMOCBUBOGBCT-OKILXGFUSA-N -1 3 293.366 3.428 20 0 CGADHM Cc1ncc(NC(=O)Nc2cccc3ccccc32)c(=O)[n-]1 ZINC001188913261 810522864 /nfs/dbraw/zinc/52/28/64/810522864.db2.gz VBLKKUFEIWMDAE-UHFFFAOYSA-N -1 3 294.314 3.288 20 0 CGADHM CC(C)c1nnc([N-]c2ccc(Cl)cc2O)o1 ZINC001214400055 815404439 /nfs/dbraw/zinc/40/44/39/815404439.db2.gz OUXHYTVBLHRSBT-UHFFFAOYSA-N -1 3 253.689 3.296 20 0 CGADHM CCCOC(=O)Nc1ccc(C(F)(F)F)cc1[O-] ZINC001194122653 811016970 /nfs/dbraw/zinc/01/69/70/811016970.db2.gz PVDUGQQTNMNWGR-UHFFFAOYSA-N -1 3 263.215 3.370 20 0 CGADHM COc1nc(C)cnc1Nc1c(Cl)ccc([O-])c1F ZINC001214556497 815422976 /nfs/dbraw/zinc/42/29/76/815422976.db2.gz UUCGNZYWAMIDSM-UHFFFAOYSA-N -1 3 283.690 3.035 20 0 CGADHM CC(C)(C)C1CCN(C(=O)c2ccc(Cl)[n-]c2=O)CC1 ZINC001195128259 811209880 /nfs/dbraw/zinc/20/98/80/811209880.db2.gz UTEBSBPRYIMLQW-UHFFFAOYSA-N -1 3 296.798 3.339 20 0 CGADHM [O-]c1cccc2sc(Nc3cccc(F)c3CO)nc21 ZINC001214606670 815431623 /nfs/dbraw/zinc/43/16/23/815431623.db2.gz YQNOBVGJDKUNRA-UHFFFAOYSA-N -1 3 290.319 3.377 20 0 CGADHM [O-]c1cc(Cl)ccc1NC(=S)NCc1ccco1 ZINC001200568219 811712911 /nfs/dbraw/zinc/71/29/11/811712911.db2.gz VUPFDCIRKRAPKC-UHFFFAOYSA-N -1 3 282.752 3.125 20 0 CGADHM Cc1nc(Nc2c(F)c(F)ccc2OC(C)C)cc(=O)[n-]1 ZINC001215073945 815480684 /nfs/dbraw/zinc/48/06/84/815480684.db2.gz MEZPLCOQGWOBBC-UHFFFAOYSA-N -1 3 295.289 3.300 20 0 CGADHM O=C(c1ccc(Nc2cncc([O-])c2)cc1)C(F)(F)F ZINC001201639592 811927517 /nfs/dbraw/zinc/92/75/17/811927517.db2.gz MOWFLNWRYGPPDC-UHFFFAOYSA-N -1 3 282.221 3.276 20 0 CGADHM COc1ccccc1NC(=O)Nc1cc(F)ccc1[O-] ZINC001202125058 812021087 /nfs/dbraw/zinc/02/10/87/812021087.db2.gz QGVHNTKQWYQQQE-UHFFFAOYSA-N -1 3 276.267 3.184 20 0 CGADHM CC(=O)c1cccc([O-])c1NC(=O)N[C@@H](C)c1ccccc1 ZINC001202510676 812111826 /nfs/dbraw/zinc/11/18/26/812111826.db2.gz UUIMPFNCFVNIBB-NSHDSACASA-N -1 3 298.342 3.478 20 0 CGADHM Cn1cc([N-]c2nonc2C2CC2)c2ccccc21 ZINC001203419617 812350585 /nfs/dbraw/zinc/35/05/85/812350585.db2.gz QAHGNNWXQQVMJP-UHFFFAOYSA-N -1 3 254.293 3.182 20 0 CGADHM [O-]c1cc(F)c(Nc2cncc(OC(F)F)c2)cc1F ZINC001215572826 815538557 /nfs/dbraw/zinc/53/85/57/815538557.db2.gz YACFHAWNJGMFAQ-UHFFFAOYSA-N -1 3 288.200 3.410 20 0 CGADHM [O-]c1cc(F)c(Nc2snc3cccnc32)cc1F ZINC001215572695 815538308 /nfs/dbraw/zinc/53/83/08/815538308.db2.gz QMKVBNJOXZKVHS-UHFFFAOYSA-N -1 3 279.271 3.419 20 0 CGADHM Nc1ccc2c(Cl)nn(-c3cc(F)c([O-])cc3F)c2c1 ZINC001215573106 815538662 /nfs/dbraw/zinc/53/86/62/815538662.db2.gz CRGVFXHHWBVEKP-UHFFFAOYSA-N -1 3 295.676 3.245 20 0 CGADHM Nc1cc2nn(-c3cc(F)c([O-])cc3F)cc2cc1Cl ZINC001215576516 815539515 /nfs/dbraw/zinc/53/95/15/815539515.db2.gz BLNSHWXHFRNQAE-UHFFFAOYSA-N -1 3 295.676 3.245 20 0 CGADHM [O-]c1ccc(-c2cnc3ccc(F)cc3n2)c(F)c1 ZINC001206030423 813173033 /nfs/dbraw/zinc/17/30/33/813173033.db2.gz WCPPGVCKDBRERK-UHFFFAOYSA-N -1 3 258.227 3.281 20 0 CGADHM [O-]c1ccc(-c2ncccc2-n2cccc2)c(F)c1 ZINC001206037462 813175437 /nfs/dbraw/zinc/17/54/37/813175437.db2.gz ISIPDPRZKIWRQX-UHFFFAOYSA-N -1 3 254.264 3.384 20 0 CGADHM [O-]c1ccc(-c2ccc(-c3ccco3)nn2)c(F)c1 ZINC001206044099 813179221 /nfs/dbraw/zinc/17/92/21/813179221.db2.gz DMXMPJSZFJIGLQ-UHFFFAOYSA-N -1 3 256.236 3.248 20 0 CGADHM Cc1ncc(-c2ccc([O-])cc2F)c(C(F)(F)F)n1 ZINC001206088148 813195989 /nfs/dbraw/zinc/19/59/89/813195989.db2.gz LEDAJITXEVYCHN-UHFFFAOYSA-N -1 3 272.201 3.316 20 0 CGADHM C[C@@H]1[C@@H](C)[C@H](C)CN1Cc1ncc(Br)cc1[O-] ZINC001206342826 813295788 /nfs/dbraw/zinc/29/57/88/813295788.db2.gz MKUCCBYLISESGG-KXUCPTDWSA-N -1 3 299.212 3.026 20 0 CGADHM Cc1ccc(Nc2ccc[nH]c2=O)c(Cl)c1[O-] ZINC001206471114 813329755 /nfs/dbraw/zinc/32/97/55/813329755.db2.gz RMEFFOBPHSSGRJ-UHFFFAOYSA-N -1 3 250.685 3.198 20 0 CGADHM [O-]c1c(F)c(F)ccc1Nc1ccc2[nH]cnc2c1 ZINC001209851095 814170476 /nfs/dbraw/zinc/17/04/76/814170476.db2.gz GZGPZZCESVHSRT-UHFFFAOYSA-N -1 3 261.231 3.290 20 0 CGADHM CC(=O)c1cc(Nc2ccc(F)cc2[O-])ccc1O ZINC001210016869 814246348 /nfs/dbraw/zinc/24/63/48/814246348.db2.gz OYTBUGZBSPXKEK-UHFFFAOYSA-N -1 3 261.252 3.183 20 0 CGADHM Nc1cccc2c1c(Cl)nn2-c1ccc(F)cc1[O-] ZINC001210020569 814248972 /nfs/dbraw/zinc/24/89/72/814248972.db2.gz RCDRSCCXDNHNTB-UHFFFAOYSA-N -1 3 277.686 3.106 20 0 CGADHM O=c1[n-]cncc1Nc1cccnc1OC1CCCCC1 ZINC001210026723 814251834 /nfs/dbraw/zinc/25/18/34/814251834.db2.gz JNAQRJDTYJKVNY-UHFFFAOYSA-N -1 3 286.335 3.032 20 0 CGADHM O=c1cc(Nc2cnccc2C(F)(F)F)nc(C2CC2)[n-]1 ZINC001210093729 814283312 /nfs/dbraw/zinc/28/33/12/814283312.db2.gz WJWJFHNDDLDORR-UHFFFAOYSA-N -1 3 296.252 3.217 20 0 CGADHM COc1nc(Cl)cnc1Nc1cccc(Cl)c1[O-] ZINC001210216273 814344349 /nfs/dbraw/zinc/34/43/49/814344349.db2.gz SHRITRZZDNAFIH-UHFFFAOYSA-N -1 3 286.118 3.241 20 0 CGADHM Nc1cc(Cl)cnc1Nc1cccc(Cl)c1[O-] ZINC001210219675 814346798 /nfs/dbraw/zinc/34/67/98/814346798.db2.gz RPTMXFBYIGHDOU-UHFFFAOYSA-N -1 3 270.119 3.420 20 0 CGADHM CCc1nnc2ccc(Nc3cccc(Cl)c3[O-])cn21 ZINC001210218744 814346922 /nfs/dbraw/zinc/34/69/22/814346922.db2.gz COSAXCHNOHKDJZ-UHFFFAOYSA-N -1 3 288.738 3.394 20 0 CGADHM [O-]c1c(Cl)cccc1Nc1cnc2c(c1)COCC2 ZINC001210216409 814347053 /nfs/dbraw/zinc/34/70/53/814347053.db2.gz FZIVSWSCZGGPET-UHFFFAOYSA-N -1 3 276.723 3.257 20 0 CGADHM Nc1ccc(N(c2cccc(Cl)c2[O-])C2CC2)nc1 ZINC001210220929 814348697 /nfs/dbraw/zinc/34/86/97/814348697.db2.gz TYSNDURNPGEUPI-UHFFFAOYSA-N -1 3 275.739 3.323 20 0 CGADHM Cn1nc2c(c1Nc1cccc(Cl)c1[O-])CCCC2 ZINC001210220549 814349244 /nfs/dbraw/zinc/34/92/44/814349244.db2.gz ZKGVKTHLFDJPRS-UHFFFAOYSA-N -1 3 277.755 3.402 20 0 CGADHM COc1ccc(C(=O)[O-])cc1Nc1ccnc(C2CC2)c1 ZINC001210254973 814369497 /nfs/dbraw/zinc/36/94/97/814369497.db2.gz PASISRPNYGFARG-UHFFFAOYSA-N -1 3 284.315 3.409 20 0 CGADHM CC(C)n1cc([N-]c2nnc(C(C)(C)C)s2)cn1 ZINC001210317901 814401452 /nfs/dbraw/zinc/40/14/52/814401452.db2.gz KMTSSSOWBHXULY-UHFFFAOYSA-N -1 3 265.386 3.357 20 0 CGADHM NC(=O)c1ccc(Nc2cccc(F)c2Cl)cc1[O-] ZINC001210543287 814516948 /nfs/dbraw/zinc/51/69/48/814516948.db2.gz FMLMEBWQRICMBK-UHFFFAOYSA-N -1 3 280.686 3.027 20 0 CGADHM O=c1cc(Nc2cccc3c2OCO3)[n-]n1-c1ccccc1 ZINC001210558719 814525827 /nfs/dbraw/zinc/52/58/27/814525827.db2.gz SXPNYHOEYGFEAC-UHFFFAOYSA-N -1 3 295.298 3.050 20 0 CGADHM Cc1c2cc(N)ccc2nn1-c1cccc([O-])c1Cl ZINC001210854303 814652297 /nfs/dbraw/zinc/65/22/97/814652297.db2.gz OEHXNAAURRQTBJ-UHFFFAOYSA-N -1 3 273.723 3.275 20 0 CGADHM CCOc1ccc(-c2cc([N-]c3ccncn3)on2)cc1 ZINC001211023376 814710297 /nfs/dbraw/zinc/71/02/97/814710297.db2.gz WJJGILGLPAGXFA-UHFFFAOYSA-N -1 3 282.303 3.274 20 0 CGADHM Nc1ccc(C(F)(F)F)cc1Nc1ncc(F)cc1[O-] ZINC001211150552 814838014 /nfs/dbraw/zinc/83/80/14/814838014.db2.gz UZMHLPDGIWJNHA-UHFFFAOYSA-N -1 3 287.216 3.271 20 0 CGADHM Cc1ccc(OC(C)C)c(Nc2cnc[n-]c2=O)c1 ZINC001211278111 814868281 /nfs/dbraw/zinc/86/82/81/814868281.db2.gz MFWZYRFWNFDZAS-UHFFFAOYSA-N -1 3 259.309 3.021 20 0 CGADHM [O-]c1ccc(Nc2cccc(CO)c2F)c(F)c1F ZINC001211435397 814892061 /nfs/dbraw/zinc/89/20/61/814892061.db2.gz QKNLEASGSOBVLK-UHFFFAOYSA-N -1 3 269.222 3.045 20 0 CGADHM Cc1cc(C(=O)[O-])ccc1Nc1ccccc1CN(C)C ZINC001211624835 814920249 /nfs/dbraw/zinc/92/02/49/814920249.db2.gz VWLKHJAVYULOKW-UHFFFAOYSA-N -1 3 284.359 3.498 20 0 CGADHM CSc1c(F)cc(Nc2cc(=O)[n-]c(C)n2)cc1F ZINC001215922379 815630758 /nfs/dbraw/zinc/63/07/58/815630758.db2.gz CNEOWIHVUZHWDI-UHFFFAOYSA-N -1 3 283.303 3.234 20 0 CGADHM Cn1ncc([N-]c2c(F)c(Cl)cc(Cl)c2F)n1 ZINC001215937648 815635458 /nfs/dbraw/zinc/63/54/58/815635458.db2.gz WFMPDPIWAIKRND-UHFFFAOYSA-N -1 3 279.077 3.144 20 0 CGADHM O=c1[n-]cncc1Nc1cnc(F)c(-c2ccccc2)c1 ZINC001215960118 815643034 /nfs/dbraw/zinc/64/30/34/815643034.db2.gz FDJHBLLMDALSNV-UHFFFAOYSA-N -1 3 282.278 3.127 20 0 CGADHM CCc1cc(Nc2cc(=O)n(-c3ccccc3)[n-]2)ccc1N ZINC001216037048 815666264 /nfs/dbraw/zinc/66/62/64/815666264.db2.gz CGKJSPWTVRQJCH-UHFFFAOYSA-N -1 3 294.358 3.466 20 0 CGADHM Cc1ncc(Nc2cc(-c3ccccc3)cnc2F)c(=O)[n-]1 ZINC001216071983 815680098 /nfs/dbraw/zinc/68/00/98/815680098.db2.gz VCMUAPYFACPXMG-UHFFFAOYSA-N -1 3 296.305 3.435 20 0 CGADHM Cc1c(F)cncc1Nc1cc(F)c([O-])cc1F ZINC001216195049 815733329 /nfs/dbraw/zinc/73/33/29/815733329.db2.gz ASMSEEJIIYDNOY-UHFFFAOYSA-N -1 3 254.211 3.257 20 0 CGADHM Cc1cc(Nc2cnc[n-]c2=O)c(OC(C)C)cc1C ZINC001216380547 815804728 /nfs/dbraw/zinc/80/47/28/815804728.db2.gz XNKCIBWUFKFSFI-UHFFFAOYSA-N -1 3 273.336 3.330 20 0 CGADHM Nc1ccccc1C(=S)Nc1cc(Cl)ccc1[O-] ZINC001216403638 815814816 /nfs/dbraw/zinc/81/48/16/815814816.db2.gz STHZHQBQZCFCIQ-UHFFFAOYSA-N -1 3 278.764 3.415 20 0 CGADHM CC(=O)c1ccccc1-c1noc(-c2cc(O)ccc2[O-])n1 ZINC001216735740 815895610 /nfs/dbraw/zinc/89/56/10/815895610.db2.gz SZRHBQVPPSVTLX-UHFFFAOYSA-N -1 3 296.282 3.017 20 0 CGADHM CCOc1ccc(F)c(-c2ccc(-c3nnn[n-]3)cc2)c1 ZINC001242936681 823179746 /nfs/dbraw/zinc/17/97/46/823179746.db2.gz WBIHKFKZFYIYKK-UHFFFAOYSA-N -1 3 284.294 3.072 20 0 CGADHM CCOc1ccc(F)c(-c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001242936681 823179749 /nfs/dbraw/zinc/17/97/49/823179749.db2.gz WBIHKFKZFYIYKK-UHFFFAOYSA-N -1 3 284.294 3.072 20 0 CGADHM Cn1c(=O)ccc2cc(-c3ccc(F)c([O-])c3)ccc21 ZINC001243046927 823223551 /nfs/dbraw/zinc/22/35/51/823223551.db2.gz AWZBJDWMOHCRMZ-UHFFFAOYSA-N -1 3 269.275 3.050 20 0 CGADHM CC(C)Cn1cccc(-c2ccc(F)c([O-])c2)c1=O ZINC001243047402 823224383 /nfs/dbraw/zinc/22/43/83/823224383.db2.gz RTGWHQSDVHVPHV-UHFFFAOYSA-N -1 3 261.296 3.016 20 0 CGADHM COc1ccc2ncnc(-c3ccc(F)c([O-])c3)c2c1 ZINC001243047149 823224448 /nfs/dbraw/zinc/22/44/48/823224448.db2.gz BZJHPGCOCKGCEO-UHFFFAOYSA-N -1 3 270.263 3.150 20 0 CGADHM CCOC(=O)c1ccc(-c2ccc(F)c([O-])c2)cc1OC ZINC001243051945 823228731 /nfs/dbraw/zinc/22/87/31/823228731.db2.gz SZFMMCMVBYURKI-UHFFFAOYSA-N -1 3 290.290 3.384 20 0 CGADHM Cc1nc2ccccc2c(-c2ccc(F)c([O-])c2)n1 ZINC001243048567 823225916 /nfs/dbraw/zinc/22/59/16/823225916.db2.gz LYKMOUCQMAAUKE-UHFFFAOYSA-N -1 3 254.264 3.450 20 0 CGADHM [O-]c1cc(-c2ccc3nc(C(F)(F)F)[nH]c3n2)ccc1F ZINC001243048912 823226115 /nfs/dbraw/zinc/22/61/15/823226115.db2.gz JATHYCGIRDJJAM-UHFFFAOYSA-N -1 3 297.211 3.488 20 0 CGADHM CC(C)OC(=O)c1cccnc1-c1ccc(F)c([O-])c1 ZINC001243049585 823226926 /nfs/dbraw/zinc/22/69/26/823226926.db2.gz LOXILDMHAFLTLZ-UHFFFAOYSA-N -1 3 275.279 3.159 20 0 CGADHM COC(=O)c1cccc(F)c1-c1ccc(F)c([O-])c1 ZINC001243052459 823228607 /nfs/dbraw/zinc/22/86/07/823228607.db2.gz WOFJDHFPBVNGIE-UHFFFAOYSA-N -1 3 264.227 3.124 20 0 CGADHM COc1ccc2nccc(-c3ccc(F)c([O-])c3)c2n1 ZINC001243050456 823227457 /nfs/dbraw/zinc/22/74/57/823227457.db2.gz XGHYQNHRXMFEOM-UHFFFAOYSA-N -1 3 270.263 3.150 20 0 CGADHM COC(OC)c1ccccc1-c1ccc(F)c([O-])c1 ZINC001243050257 823227888 /nfs/dbraw/zinc/22/78/88/823227888.db2.gz UTPJTQWTWJNAAQ-UHFFFAOYSA-N -1 3 262.280 3.490 20 0 CGADHM CC(C)(C)NC(=O)c1cccnc1-c1ccc(F)c([O-])c1 ZINC001243053403 823229032 /nfs/dbraw/zinc/22/90/32/823229032.db2.gz CWJQHUIFCBCSQO-UHFFFAOYSA-N -1 3 288.322 3.122 20 0 CGADHM COC(=O)c1c[nH]c2cc(-c3ccc(F)c([O-])c3)ccc21 ZINC001243061547 823232346 /nfs/dbraw/zinc/23/23/46/823232346.db2.gz HSSPDKTVBIQLMV-UHFFFAOYSA-N -1 3 285.274 3.466 20 0 CGADHM C[C@@H]1CCCC[C@@H]1Oc1nc(=O)[n-]cc1C(F)(F)F ZINC001225580017 817099522 /nfs/dbraw/zinc/09/95/22/817099522.db2.gz SJGMSDNVQQUIMB-APPZFPTMSA-N -1 3 276.258 3.159 20 0 CGADHM Cc1cnc(=S)[n-]c1O[C@@H]1CCC(=O)c2ccccc21 ZINC001225742522 817163911 /nfs/dbraw/zinc/16/39/11/817163911.db2.gz LABBQQCJXHNOAO-CYBMUJFWSA-N -1 3 286.356 3.170 20 0 CGADHM COCc1cc(O[C@H](C)c2ccccc2C)[n-]c(=S)n1 ZINC001225935110 817223053 /nfs/dbraw/zinc/22/30/53/817223053.db2.gz QNAFIAHVARYFJL-LLVKDONJSA-N -1 3 290.388 3.360 20 0 CGADHM CC(=O)c1ccc([O-])c(O[C@H]2CCCC[C@@H]2F)c1 ZINC001225994241 817242294 /nfs/dbraw/zinc/24/22/94/817242294.db2.gz MBCPMOQFZUYVNA-AAEUAGOBSA-N -1 3 252.285 3.254 20 0 CGADHM CC(=O)c1ccc([O-])c(O[C@H]2CCC(F)(F)C2)c1 ZINC001225992824 817242559 /nfs/dbraw/zinc/24/25/59/817242559.db2.gz CCPJWFQDXWKLRR-JTQLQIEISA-N -1 3 256.248 3.161 20 0 CGADHM Cc1c(=O)[n-]cnc1O[C@@H](C)c1ccc(Cl)cc1 ZINC001226071737 817264784 /nfs/dbraw/zinc/26/47/84/817264784.db2.gz SSQGLSRYSWQISK-VIFPVBQESA-N -1 3 264.712 3.284 20 0 CGADHM FC1(F)CC[C@@H](Oc2[n-]c(=S)ncc2C2CC2)C1 ZINC001226125971 817279993 /nfs/dbraw/zinc/27/99/93/817279993.db2.gz ZLDNVKCKPBCBHS-MRVPVSSYSA-N -1 3 272.320 3.209 20 0 CGADHM Cc1nnc(=O)[n-]c1OC1c2ccccc2-c2ccccc21 ZINC001226461842 817364117 /nfs/dbraw/zinc/36/41/17/817364117.db2.gz WWRZLKIKRLAGFF-UHFFFAOYSA-N -1 3 291.310 3.034 20 0 CGADHM Cc1cc(=O)oc2cc([O-])c(OC3CCSCC3)cc12 ZINC001226535225 817391216 /nfs/dbraw/zinc/39/12/16/817391216.db2.gz QIXQNVYJNFRHJY-UHFFFAOYSA-N -1 3 292.356 3.081 20 0 CGADHM COC(=O)[C@@H]1C[C@H](Oc2cccc([O-])c2Cl)C1(C)C ZINC001226710124 817441875 /nfs/dbraw/zinc/44/18/75/817441875.db2.gz WDCFRZCDBBNBGD-KWQFWETISA-N -1 3 284.739 3.012 20 0 CGADHM CC(C)CCOC(=O)[C@H](C)Oc1cccc([O-])c1Cl ZINC001226710099 817442464 /nfs/dbraw/zinc/44/24/64/817442464.db2.gz VUCUCJKYMCPHPN-JTQLQIEISA-N -1 3 286.755 3.402 20 0 CGADHM Cc1cnc(F)c([C@H](C)Oc2cc(C)nc(=S)[n-]2)c1 ZINC001226803056 817469763 /nfs/dbraw/zinc/46/97/63/817469763.db2.gz NFBGXBNFNWLAHD-VIFPVBQESA-N -1 3 279.340 3.056 20 0 CGADHM C[C@@H](Oc1cnc[n-]c1=O)c1ccc(C(F)(F)F)cc1 ZINC001227048719 817543689 /nfs/dbraw/zinc/54/36/89/817543689.db2.gz JPXHMONMGQMLKS-MRVPVSSYSA-N -1 3 284.237 3.341 20 0 CGADHM CCc1cnc(=S)[n-]c1O[C@@H](C(C)C)C(F)(F)F ZINC001227062052 817547683 /nfs/dbraw/zinc/54/76/83/817547683.db2.gz QXAORQUNFDOEBM-QMMMGPOBSA-N -1 3 280.315 3.293 20 0 CGADHM COC(=O)c1ccc([O-])c(O[C@@H](C)c2ccccc2C)n1 ZINC001227819817 817727175 /nfs/dbraw/zinc/72/71/75/817727175.db2.gz IJCPLIGWEZULBB-NSHDSACASA-N -1 3 287.315 3.022 20 0 CGADHM CC/C=C(\C)[C@H](CC)Oc1nc(C(=O)OC)ccc1[O-] ZINC001227824757 817727863 /nfs/dbraw/zinc/72/78/63/817727863.db2.gz JSIHFPQLZGMGQK-RSPDNQDQSA-N -1 3 279.336 3.088 20 0 CGADHM Cc1cccc2c1[C@@H](Oc1nnc(-c3cccnc3)[n-]1)CC2 ZINC001228695087 817974918 /nfs/dbraw/zinc/97/49/18/817974918.db2.gz JKTDSPPZUBQPSB-AWEZNQCLSA-N -1 3 292.342 3.241 20 0 CGADHM Cc1cccc2c1[C@@H](Oc1nc(-c3cccnc3)n[n-]1)CC2 ZINC001228695087 817974921 /nfs/dbraw/zinc/97/49/21/817974921.db2.gz JKTDSPPZUBQPSB-AWEZNQCLSA-N -1 3 292.342 3.241 20 0 CGADHM Cc1cccc2c1[C@@H](Oc1n[n-]c(-c3cccnc3)n1)CC2 ZINC001228695087 817974927 /nfs/dbraw/zinc/97/49/27/817974927.db2.gz JKTDSPPZUBQPSB-AWEZNQCLSA-N -1 3 292.342 3.241 20 0 CGADHM C[C@H](Oc1n[n-]c(-c2ccncc2)n1)c1ccccc1 ZINC001228696783 817976724 /nfs/dbraw/zinc/97/67/24/817976724.db2.gz CNJJPRVQTFZBRL-NSHDSACASA-N -1 3 266.304 3.007 20 0 CGADHM C[C@@H]1CCC[C@@H](C)C1Oc1n[n-]c(-c2ccncc2)n1 ZINC001228699070 817978675 /nfs/dbraw/zinc/97/86/75/817978675.db2.gz DDMMVPWRTPFATL-GHMZBOCLSA-N -1 3 272.352 3.070 20 0 CGADHM CC[C@@H](C)CC[C@@H](C)Oc1n[n-]c(-c2ccncc2)n1 ZINC001228699933 817979054 /nfs/dbraw/zinc/97/90/54/817979054.db2.gz KWOZHRAMPFEDJB-VXGBXAGGSA-N -1 3 274.368 3.460 20 0 CGADHM CC[C@@H](C)CC[C@H](C)Oc1n[n-]c(-c2ccncc2)n1 ZINC001228699930 817979817 /nfs/dbraw/zinc/97/98/17/817979817.db2.gz KWOZHRAMPFEDJB-NEPJUHHUSA-N -1 3 274.368 3.460 20 0 CGADHM CC(C)CC[C@@H](C)Oc1nnc(-c2cccnc2)[n-]1 ZINC001228699065 817979938 /nfs/dbraw/zinc/97/99/38/817979938.db2.gz VBMQMZSUMNPTSO-LLVKDONJSA-N -1 3 260.341 3.070 20 0 CGADHM CC(C)CC[C@@H](C)Oc1nc(-c2cccnc2)n[n-]1 ZINC001228699065 817979941 /nfs/dbraw/zinc/97/99/41/817979941.db2.gz VBMQMZSUMNPTSO-LLVKDONJSA-N -1 3 260.341 3.070 20 0 CGADHM CC(C)CC[C@@H](C)Oc1n[n-]c(-c2cccnc2)n1 ZINC001228699065 817979947 /nfs/dbraw/zinc/97/99/47/817979947.db2.gz VBMQMZSUMNPTSO-LLVKDONJSA-N -1 3 260.341 3.070 20 0 CGADHM C[C@H]1CCCC[C@H]1Oc1cc2c(cc1[O-])CCC2=O ZINC001228853783 818024121 /nfs/dbraw/zinc/02/41/21/818024121.db2.gz KTRKHEPFPZVPSA-ZUZCIYMTSA-N -1 3 260.333 3.479 20 0 CGADHM CCC[C@H](C)[C@@H](CC)Oc1cccc(-c2nnn[n-]2)c1 ZINC001231122583 818035732 /nfs/dbraw/zinc/03/57/32/818035732.db2.gz VCNYBEKHVDTXMA-SMDDNHRTSA-N -1 3 274.368 3.460 20 0 CGADHM CCC[C@H](C)[C@@H](CC)Oc1cccc(-c2nn[n-]n2)c1 ZINC001231122583 818035735 /nfs/dbraw/zinc/03/57/35/818035735.db2.gz VCNYBEKHVDTXMA-SMDDNHRTSA-N -1 3 274.368 3.460 20 0 CGADHM CC[C@H](Oc1cccc(-c2nnn[n-]2)c1)C(C)(C)C ZINC001231118311 818035879 /nfs/dbraw/zinc/03/58/79/818035879.db2.gz LFWQGFPFYPHQML-LBPRGKRZSA-N -1 3 260.341 3.070 20 0 CGADHM CC[C@H](Oc1cccc(-c2nn[n-]n2)c1)C(C)(C)C ZINC001231118311 818035882 /nfs/dbraw/zinc/03/58/82/818035882.db2.gz LFWQGFPFYPHQML-LBPRGKRZSA-N -1 3 260.341 3.070 20 0 CGADHM [O-]c1cc(CN2CCC3(C[C@H](F)CO3)CC2)ccc1Cl ZINC001231734633 818163431 /nfs/dbraw/zinc/16/34/31/818163431.db2.gz BSFPVXHSLBOILW-LBPRGKRZSA-N -1 3 299.773 3.139 20 0 CGADHM C[C@@H]1CCCCCN1Cc1ccc(F)c([O-])c1F ZINC001232935835 818476643 /nfs/dbraw/zinc/47/66/43/818476643.db2.gz NKRQEBGKMBHNBN-SNVBAGLBSA-N -1 3 255.308 3.435 20 0 CGADHM Cc1ccc(CN(C)Cc2cccc([O-])c2F)cc1 ZINC001233052850 818513318 /nfs/dbraw/zinc/51/33/18/818513318.db2.gz YDIIRPOKNWNORU-UHFFFAOYSA-N -1 3 259.324 3.472 20 0 CGADHM COCC[C@@H]1CCCCN1Cc1c(F)ccc([O-])c1F ZINC001233395566 818608765 /nfs/dbraw/zinc/60/87/65/818608765.db2.gz CBHUTUXLDTWCKV-NSHDSACASA-N -1 3 285.334 3.061 20 0 CGADHM [O-]c1ccc(F)c(CN2CCCCC(F)(F)C2)c1F ZINC001233393503 818609155 /nfs/dbraw/zinc/60/91/55/818609155.db2.gz YPEOIHVRZNPCQF-UHFFFAOYSA-N -1 3 277.261 3.292 20 0 CGADHM Cc1cc([O-])c(Cl)cc1OC[C@H]1CCCCO1 ZINC001233592982 818652041 /nfs/dbraw/zinc/65/20/41/818652041.db2.gz SCTIQQAIMOFZBI-SNVBAGLBSA-N -1 3 256.729 3.302 20 0 CGADHM Cc1cc([O-])c(Cl)cc1O[C@H](C)C(=O)OC(C)(C)C ZINC001233592966 818652048 /nfs/dbraw/zinc/65/20/48/818652048.db2.gz RZYOXOMIQAVFEC-SECBINFHSA-N -1 3 286.755 3.463 20 0 CGADHM Cc1ccc([C@@H](C)Oc2ccc3occ([O-])c3c2)cn1 ZINC001233677390 818677589 /nfs/dbraw/zinc/67/75/89/818677589.db2.gz KCTMEUJMTNGCKJ-LLVKDONJSA-N -1 3 269.300 3.105 20 0 CGADHM COc1ccc([C@@H](C)Oc2ccc3occ([O-])c3c2)cc1 ZINC001233678535 818678725 /nfs/dbraw/zinc/67/87/25/818678725.db2.gz VDQIIDQONOOIRY-LLVKDONJSA-N -1 3 284.311 3.410 20 0 CGADHM [O-]c1ccc(-c2cc(N3CCCC3)ccn2)c(F)c1F ZINC001243341160 823356216 /nfs/dbraw/zinc/35/62/16/823356216.db2.gz FDYGTACYZLWISC-UHFFFAOYSA-N -1 3 276.286 3.333 20 0 CGADHM CCOC(=O)[C@H](Oc1cccc([O-])c1F)c1ccccc1 ZINC001233867822 818721175 /nfs/dbraw/zinc/72/11/75/818721175.db2.gz JIZDOVFHZYAASJ-OAHLLOKOSA-N -1 3 290.290 3.215 20 0 CGADHM C[C@H]1C[C@H](Oc2cccc([O-])c2C(N)=O)CC(C)(C)C1 ZINC001234148058 818791763 /nfs/dbraw/zinc/79/17/63/818791763.db2.gz CBYDFLDPDJHLOA-QWRGUYRKSA-N -1 3 277.364 3.085 20 0 CGADHM CC(C)C1CCC(Oc2cccc([O-])c2C(N)=O)CC1 ZINC001234148639 818791781 /nfs/dbraw/zinc/79/17/81/818791781.db2.gz ISODETILHIKJLD-UHFFFAOYSA-N -1 3 277.364 3.085 20 0 CGADHM C[C@H](Oc1cccc([O-])c1C(N)=O)c1csc(Cl)c1 ZINC001234149068 818792583 /nfs/dbraw/zinc/79/25/83/818792583.db2.gz LVUZQBFBEBQHRV-ZETCQYMHSA-N -1 3 297.763 3.346 20 0 CGADHM CC/C=C(\C)[C@H](CC)Oc1cccc([O-])c1C(N)=O ZINC001234154112 818793332 /nfs/dbraw/zinc/79/33/32/818793332.db2.gz SNHHGQWXLJVXEX-PMDBQALLSA-N -1 3 263.337 3.005 20 0 CGADHM Cc1ccc(-c2cc3ccccc3n2C)cc1-c1nnn[n-]1 ZINC001243355958 823364646 /nfs/dbraw/zinc/36/46/46/823364646.db2.gz LNGVEDFESUDTIV-UHFFFAOYSA-N -1 3 289.342 3.334 20 0 CGADHM Cc1ccc(-c2cc3ccccc3n2C)cc1-c1nn[n-]n1 ZINC001243355958 823364653 /nfs/dbraw/zinc/36/46/53/823364653.db2.gz LNGVEDFESUDTIV-UHFFFAOYSA-N -1 3 289.342 3.334 20 0 CGADHM [O-]c1cccc2[nH]c(O[C@@H]3CCc4cc(F)ccc43)nc21 ZINC001234447844 818857989 /nfs/dbraw/zinc/85/79/89/818857989.db2.gz PWFVZTMXFQOVDE-CQSZACIVSA-N -1 3 284.290 3.474 20 0 CGADHM COC1=CC[C@H](Oc2nc[n-]c(=O)c2-c2ccccc2)CC1 ZINC001234693456 818918386 /nfs/dbraw/zinc/91/83/86/818918386.db2.gz XRGGPUPHTBULER-AWEZNQCLSA-N -1 3 298.342 3.311 20 0 CGADHM COc1cc([O-])c(C)c(O[C@@H]2C=CCC2)c1C(C)=O ZINC001234793181 818923739 /nfs/dbraw/zinc/92/37/39/818923739.db2.gz MUSINIAYAHKSEK-LLVKDONJSA-N -1 3 262.305 3.009 20 0 CGADHM [O-]c1cc(Cl)cc(-c2ccc(-n3cccc3)nn2)c1 ZINC001235900309 819210324 /nfs/dbraw/zinc/21/03/24/819210324.db2.gz MJINTKOTHLBJGL-UHFFFAOYSA-N -1 3 271.707 3.293 20 0 CGADHM Cc1cc(-c2nnn[n-]2)ccc1-c1cncc(OC(C)C)c1 ZINC001236523245 819514705 /nfs/dbraw/zinc/51/47/05/819514705.db2.gz UORMAVLOIJDFPT-UHFFFAOYSA-N -1 3 295.346 3.024 20 0 CGADHM Cc1cc(-c2nn[n-]n2)ccc1-c1cncc(OC(C)C)c1 ZINC001236523245 819514708 /nfs/dbraw/zinc/51/47/08/819514708.db2.gz UORMAVLOIJDFPT-UHFFFAOYSA-N -1 3 295.346 3.024 20 0 CGADHM Cc1cc(OC(C)C)ncc1-c1ccccc1-c1nnn[n-]1 ZINC001236583917 819546020 /nfs/dbraw/zinc/54/60/20/819546020.db2.gz VYSOCRDZLGSMGP-UHFFFAOYSA-N -1 3 295.346 3.024 20 0 CGADHM Cc1cc(OC(C)C)ncc1-c1ccccc1-c1nn[n-]n1 ZINC001236583917 819546026 /nfs/dbraw/zinc/54/60/26/819546026.db2.gz VYSOCRDZLGSMGP-UHFFFAOYSA-N -1 3 295.346 3.024 20 0 CGADHM [O-]c1cc(CN2CCC[C@H]3C[C@H]32)ccc1Br ZINC001236688886 819573540 /nfs/dbraw/zinc/57/35/40/819573540.db2.gz CBFAYVCMEFHRSW-CMPLNLGQSA-N -1 3 282.181 3.139 20 0 CGADHM COc1ccc2c(c1)CCN(Cc1ccc(F)c([O-])c1)C2 ZINC001236703479 819576247 /nfs/dbraw/zinc/57/62/47/819576247.db2.gz OEDUYUNFVRUKIB-UHFFFAOYSA-N -1 3 287.334 3.098 20 0 CGADHM COc1cccc2c1CCN(Cc1ccc(F)c([O-])c1)C2 ZINC001236707061 819576467 /nfs/dbraw/zinc/57/64/67/819576467.db2.gz CWUGHWBDWHJAMU-UHFFFAOYSA-N -1 3 287.334 3.098 20 0 CGADHM C[C@H]1Oc2ccc(-c3cc(F)cc(F)c3[O-])cc2NC1=O ZINC001243502680 823421821 /nfs/dbraw/zinc/42/18/21/823421821.db2.gz NWOJTIUJKPNFJY-SSDOTTSWSA-N -1 3 291.253 3.057 20 0 CGADHM FC(F)(F)[C@@H]1CCCN1Cc1occc1[S-] ZINC001237179851 819687686 /nfs/dbraw/zinc/68/76/86/819687686.db2.gz GRFVPWFUDNNKDM-VIFPVBQESA-N -1 3 251.273 3.095 20 0 CGADHM [O-]c1cccc(-c2ncnc3cc(F)c(F)cc32)c1F ZINC001243542077 823435962 /nfs/dbraw/zinc/43/59/62/823435962.db2.gz GJXOCHQDDUUHIC-UHFFFAOYSA-N -1 3 276.217 3.420 20 0 CGADHM [O-]c1cccc(-c2ccccc2N2CCOCC2)c1F ZINC001243548123 823440333 /nfs/dbraw/zinc/44/03/33/823440333.db2.gz ZWUOBVWXRQONPS-UHFFFAOYSA-N -1 3 273.307 3.035 20 0 CGADHM COc1cc(-c2cccc([O-])c2F)c2cc[nH]c2n1 ZINC001243548548 823440338 /nfs/dbraw/zinc/44/03/38/823440338.db2.gz GCEZXGCKEXJCSV-UHFFFAOYSA-N -1 3 258.252 3.083 20 0 CGADHM CN(Cc1cc(F)c([O-])c(Cl)c1)C[C@@H]1CCCCO1 ZINC001237990873 819905118 /nfs/dbraw/zinc/90/51/18/819905118.db2.gz ZYTVAHGRONWRFP-NSHDSACASA-N -1 3 287.762 3.186 20 0 CGADHM COC(=O)c1cc(F)c(F)cc1-c1cccc([O-])c1F ZINC001243545845 823437949 /nfs/dbraw/zinc/43/79/49/823437949.db2.gz CLEISQYWVWGKES-UHFFFAOYSA-N -1 3 282.217 3.263 20 0 CGADHM [O-]c1cccc(-c2cc(F)cc(N3CCOCC3)c2)c1F ZINC001243545618 823438002 /nfs/dbraw/zinc/43/80/02/823438002.db2.gz OFWZUNPCZYEOLX-UHFFFAOYSA-N -1 3 291.297 3.174 20 0 CGADHM COC(=O)c1c(F)cc(-c2cccc([O-])c2F)cc1OC ZINC001243545453 823438370 /nfs/dbraw/zinc/43/83/70/823438370.db2.gz ASRYNHIQSCFBIP-UHFFFAOYSA-N -1 3 294.253 3.133 20 0 CGADHM CC1(C)CNC(=O)c2cccc(-c3cccc([O-])c3F)c21 ZINC001243546534 823439257 /nfs/dbraw/zinc/43/92/57/823439257.db2.gz OILXMLHYOIMXPG-UHFFFAOYSA-N -1 3 285.318 3.219 20 0 CGADHM COC(=O)c1cc(-c2cccc([O-])c2F)c(OC)cc1F ZINC001243547283 823439481 /nfs/dbraw/zinc/43/94/81/823439481.db2.gz VNPZQBZITYGGNM-UHFFFAOYSA-N -1 3 294.253 3.133 20 0 CGADHM COc1cc(F)c(-c2cccc([O-])c2F)c(F)c1 ZINC001243547789 823439678 /nfs/dbraw/zinc/43/96/78/823439678.db2.gz VXICZUPGFWECTL-UHFFFAOYSA-N -1 3 254.207 3.485 20 0 CGADHM Cc1ccnc(F)c1-c1cc(C(F)(F)F)[n-]c(=S)n1 ZINC001243550306 823441644 /nfs/dbraw/zinc/44/16/44/823441644.db2.gz FBWGIMUKNGBSRG-UHFFFAOYSA-N -1 3 289.257 3.294 20 0 CGADHM Nc1nccc(F)c1-c1ccc(C(F)(F)F)cc1[O-] ZINC001243604729 823463968 /nfs/dbraw/zinc/46/39/68/823463968.db2.gz ALDGRUSSDUMJBX-UHFFFAOYSA-N -1 3 272.201 3.194 20 0 CGADHM Cc1cccc(-c2ccc(-c3nnn[n-]3)cc2C)c1 ZINC001239492136 820343844 /nfs/dbraw/zinc/34/38/44/820343844.db2.gz SSABYSNSUDTVCD-UHFFFAOYSA-N -1 3 250.305 3.151 20 0 CGADHM Cc1cccc(-c2ccc(-c3nn[n-]n3)cc2C)c1 ZINC001239492136 820343854 /nfs/dbraw/zinc/34/38/54/820343854.db2.gz SSABYSNSUDTVCD-UHFFFAOYSA-N -1 3 250.305 3.151 20 0 CGADHM Cn1cc(-c2cc(F)cc(-c3nnn[n-]3)c2)c2ccccc21 ZINC001239541875 820396680 /nfs/dbraw/zinc/39/66/80/820396680.db2.gz QDGVTSAPPGGDFD-UHFFFAOYSA-N -1 3 293.305 3.165 20 0 CGADHM Cn1cc(-c2cc(F)cc(-c3nn[n-]n3)c2)c2ccccc21 ZINC001239541875 820396691 /nfs/dbraw/zinc/39/66/91/820396691.db2.gz QDGVTSAPPGGDFD-UHFFFAOYSA-N -1 3 293.305 3.165 20 0 CGADHM Cc1nc(OC(C)C)ccc1-c1cccc(-c2nnn[n-]2)c1 ZINC001243661286 823478235 /nfs/dbraw/zinc/47/82/35/823478235.db2.gz YITRWPJGKPJBRH-UHFFFAOYSA-N -1 3 295.346 3.024 20 0 CGADHM Cc1nc(OC(C)C)ccc1-c1cccc(-c2nn[n-]n2)c1 ZINC001243661286 823478236 /nfs/dbraw/zinc/47/82/36/823478236.db2.gz YITRWPJGKPJBRH-UHFFFAOYSA-N -1 3 295.346 3.024 20 0 CGADHM Fc1cc(-c2ccc3[nH]ccc3c2)ccc1-c1nnn[n-]1 ZINC001239696284 820528388 /nfs/dbraw/zinc/52/83/88/820528388.db2.gz NEDNVFTVIKWYOW-UHFFFAOYSA-N -1 3 279.278 3.154 20 0 CGADHM Fc1cc(-c2ccc3[nH]ccc3c2)ccc1-c1nn[n-]n1 ZINC001239696284 820528391 /nfs/dbraw/zinc/52/83/91/820528391.db2.gz NEDNVFTVIKWYOW-UHFFFAOYSA-N -1 3 279.278 3.154 20 0 CGADHM Fc1cc(-c2nnn[n-]2)cc(-c2ccnc3ccccc32)c1 ZINC001239855151 820661167 /nfs/dbraw/zinc/66/11/67/820661167.db2.gz PQRDGTUJXIOBNV-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Fc1cc(-c2nn[n-]n2)cc(-c2ccnc3ccccc32)c1 ZINC001239855151 820661169 /nfs/dbraw/zinc/66/11/69/820661169.db2.gz PQRDGTUJXIOBNV-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Cc1ccc(-c2cccc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC001239863854 820669459 /nfs/dbraw/zinc/66/94/59/820669459.db2.gz MHUWTVPIMRBIKP-UHFFFAOYSA-N -1 3 270.723 3.496 20 0 CGADHM Cc1ccc(-c2cccc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC001239863854 820669461 /nfs/dbraw/zinc/66/94/61/820669461.db2.gz MHUWTVPIMRBIKP-UHFFFAOYSA-N -1 3 270.723 3.496 20 0 CGADHM CC(C)Oc1cccc(-c2cc(-c3nnn[n-]3)ccc2F)c1 ZINC001239970350 820749266 /nfs/dbraw/zinc/74/92/66/820749266.db2.gz IVXCZWDPQOIGNU-UHFFFAOYSA-N -1 3 298.321 3.460 20 0 CGADHM CC(C)Oc1cccc(-c2cc(-c3nn[n-]n3)ccc2F)c1 ZINC001239970350 820749271 /nfs/dbraw/zinc/74/92/71/820749271.db2.gz IVXCZWDPQOIGNU-UHFFFAOYSA-N -1 3 298.321 3.460 20 0 CGADHM Fc1ccc(-c2nnn[n-]2)cc1-c1cccc2cnccc21 ZINC001240010392 820777765 /nfs/dbraw/zinc/77/77/65/820777765.db2.gz PDUJZYFBMGPSIB-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Fc1ccc(-c2nn[n-]n2)cc1-c1cccc2cnccc21 ZINC001240010392 820777770 /nfs/dbraw/zinc/77/77/70/820777770.db2.gz PDUJZYFBMGPSIB-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Cc1ccc(-c2ccc(-c3nnn[n-]3)c(F)c2)cc1C ZINC001240702255 821258703 /nfs/dbraw/zinc/25/87/03/821258703.db2.gz TZGWBVHXDXELEY-UHFFFAOYSA-N -1 3 268.295 3.290 20 0 CGADHM Cc1ccc(-c2ccc(-c3nn[n-]n3)c(F)c2)cc1C ZINC001240702255 821258708 /nfs/dbraw/zinc/25/87/08/821258708.db2.gz TZGWBVHXDXELEY-UHFFFAOYSA-N -1 3 268.295 3.290 20 0 CGADHM CCO[C@H](C)n1cc(-c2ccc3c(c2)[N-]C(=S)C3)cn1 ZINC001240761154 821309385 /nfs/dbraw/zinc/30/93/85/821309385.db2.gz YFQHKZAFMWQAST-SNVBAGLBSA-N -1 3 287.388 3.401 20 0 CGADHM COC(=O)c1cc(-c2ccc([O-])c(F)c2)c(F)cc1OC ZINC001240786528 821326057 /nfs/dbraw/zinc/32/60/57/821326057.db2.gz LUKXAASJSHBTBX-UHFFFAOYSA-N -1 3 294.253 3.133 20 0 CGADHM CC(C)c1cc(-c2ccc([O-])c(F)c2)nc(N(C)C)n1 ZINC001240786476 821326949 /nfs/dbraw/zinc/32/69/49/821326949.db2.gz UYFBHFWNRXJCQW-UHFFFAOYSA-N -1 3 275.327 3.178 20 0 CGADHM COC(=O)[C@H](C)c1ccc(-c2ccc([O-])c(F)c2)cc1 ZINC001240786824 821327899 /nfs/dbraw/zinc/32/78/99/821327899.db2.gz XDMUOOWXBBNAQN-SNVBAGLBSA-N -1 3 274.291 3.475 20 0 CGADHM C[C@@H]1CCCN(c2cc(-c3ccc([O-])c(F)c3)ncn2)C1 ZINC001240786100 821327949 /nfs/dbraw/zinc/32/79/49/821327949.db2.gz LRCRJHXQOHMEAH-LLVKDONJSA-N -1 3 287.338 3.225 20 0 CGADHM [O-]c1ccc(-c2cc(C(F)(F)F)cn3ncnc23)cc1F ZINC001240787057 821328950 /nfs/dbraw/zinc/32/89/50/821328950.db2.gz JCJDCVWPZQVITN-UHFFFAOYSA-N -1 3 297.211 3.260 20 0 CGADHM CCOC(=O)COc1ccccc1-c1ccc([O-])c(F)c1 ZINC001240787861 821329701 /nfs/dbraw/zinc/32/97/01/821329701.db2.gz UENZQYVEJSPREV-UHFFFAOYSA-N -1 3 290.290 3.140 20 0 CGADHM c1cnc2cccc(-c3ccc(Cc4nnn[n-]4)cc3)c2c1 ZINC001240939526 821429437 /nfs/dbraw/zinc/42/94/37/821429437.db2.gz XVJWTAZBTKPPCZ-UHFFFAOYSA-N -1 3 287.326 3.006 20 0 CGADHM c1cnc2cccc(-c3ccc(Cc4nn[n-]n4)cc3)c2c1 ZINC001240939526 821429438 /nfs/dbraw/zinc/42/94/38/821429438.db2.gz XVJWTAZBTKPPCZ-UHFFFAOYSA-N -1 3 287.326 3.006 20 0 CGADHM COc1cccc2c1ncnc2-c1ccccc1[O-] ZINC001241001994 821481063 /nfs/dbraw/zinc/48/10/63/821481063.db2.gz OQCJQFLQSXEQKX-UHFFFAOYSA-N -1 3 252.273 3.011 20 0 CGADHM CCCCN(C)c1cncc(-c2ccc(C)cc2[O-])n1 ZINC001241035939 821511771 /nfs/dbraw/zinc/51/17/71/821511771.db2.gz KMKCDLVFKFRMND-UHFFFAOYSA-N -1 3 271.364 3.394 20 0 CGADHM Cc1ccc(-c2cncc(OCC(C)C)n2)c([O-])c1 ZINC001241036531 821511984 /nfs/dbraw/zinc/51/19/84/821511984.db2.gz ZEKVWWRTFBFSSZ-UHFFFAOYSA-N -1 3 258.321 3.192 20 0 CGADHM Fc1cc(F)c(F)c(-c2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC001241094465 821554783 /nfs/dbraw/zinc/55/47/83/821554783.db2.gz OLDNNJVXDSEJNU-UHFFFAOYSA-N -1 3 294.211 3.090 20 0 CGADHM Fc1cc(F)c(F)c(-c2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC001241094465 821554788 /nfs/dbraw/zinc/55/47/88/821554788.db2.gz OLDNNJVXDSEJNU-UHFFFAOYSA-N -1 3 294.211 3.090 20 0 CGADHM [O-]c1cc(F)cc(-c2ccc(OC(F)F)cn2)c1 ZINC001241255722 821676122 /nfs/dbraw/zinc/67/61/22/821676122.db2.gz BBWCVFAHYQOFCP-UHFFFAOYSA-N -1 3 255.195 3.195 20 0 CGADHM Cc1nc2ccccc2nc1-c1cc([O-])cc(F)c1 ZINC001241257398 821677119 /nfs/dbraw/zinc/67/71/19/821677119.db2.gz JWNLZLFOVYDZJE-UHFFFAOYSA-N -1 3 254.264 3.450 20 0 CGADHM Cc1nc(-c2ccncc2)cc(-c2cc([O-])cc(F)c2)n1 ZINC001241261200 821681074 /nfs/dbraw/zinc/68/10/74/821681074.db2.gz GZZOMVSBVDHMGT-UHFFFAOYSA-N -1 3 281.290 3.359 20 0 CGADHM O=c1ccc(-c2cc([O-])cc(F)c2)cn1-c1cccc(F)c1 ZINC001241280302 821698744 /nfs/dbraw/zinc/69/87/44/821698744.db2.gz JFHXHYAHXMXEEM-UHFFFAOYSA-N -1 3 299.276 3.488 20 0 CGADHM COC(=O)c1cc(F)c(F)c(-c2cc([O-])cc(F)c2)c1 ZINC001241280066 821698944 /nfs/dbraw/zinc/69/89/44/821698944.db2.gz BDYPAAUAVMMETN-UHFFFAOYSA-N -1 3 282.217 3.263 20 0 CGADHM COCOc1cc(-c2cc([O-])cc(F)c2)ccc1F ZINC001241280889 821700145 /nfs/dbraw/zinc/70/01/45/821700145.db2.gz XKOSMOIAOBUFAZ-UHFFFAOYSA-N -1 3 266.243 3.320 20 0 CGADHM CCOC(=O)c1ccc(-c2cc([O-])cc(F)c2)cc1OC ZINC001241281381 821700224 /nfs/dbraw/zinc/70/02/24/821700224.db2.gz AOBXYMJIFDAUDB-UHFFFAOYSA-N -1 3 290.290 3.384 20 0 CGADHM Cc1nc2c(ncc(-c3cc([O-])cc(F)c3)c2C)[nH]1 ZINC001241283170 821702843 /nfs/dbraw/zinc/70/28/43/821702843.db2.gz SIUUOEMKUMNTHU-UHFFFAOYSA-N -1 3 257.268 3.086 20 0 CGADHM CN1CCOc2cc(-c3c(F)ccc([O-])c3F)ccc21 ZINC001241292498 821709044 /nfs/dbraw/zinc/70/90/44/821709044.db2.gz CIMPIVSKLCQRRR-UHFFFAOYSA-N -1 3 277.270 3.166 20 0 CGADHM COC(=O)CCc1ccccc1-c1c(F)ccc([O-])c1F ZINC001241292499 821709255 /nfs/dbraw/zinc/70/92/55/821709255.db2.gz CIRMKTRCXCVLMM-UHFFFAOYSA-N -1 3 292.281 3.443 20 0 CGADHM CC(C)n1ccc(-c2c(F)ccc([O-])c2F)cc1=O ZINC001241293595 821710790 /nfs/dbraw/zinc/71/07/90/821710790.db2.gz JSMKDMHRJXZAGJ-UHFFFAOYSA-N -1 3 265.259 3.080 20 0 CGADHM CC(=O)Nc1ccc(-c2c(F)ccc([O-])c2F)cc1 ZINC001241293058 821711303 /nfs/dbraw/zinc/71/13/03/821711303.db2.gz PZCWAEAUIZIBSH-UHFFFAOYSA-N -1 3 263.243 3.296 20 0 CGADHM Cc1ccc(-c2ccc(-c3nnn[n-]3)cc2C)c(F)c1 ZINC001241355568 821756806 /nfs/dbraw/zinc/75/68/06/821756806.db2.gz AGLUUURVDNVMQG-UHFFFAOYSA-N -1 3 268.295 3.290 20 0 CGADHM Cc1ccc(-c2ccc(-c3nn[n-]n3)cc2C)c(F)c1 ZINC001241355568 821756810 /nfs/dbraw/zinc/75/68/10/821756810.db2.gz AGLUUURVDNVMQG-UHFFFAOYSA-N -1 3 268.295 3.290 20 0 CGADHM COc1ccc2[nH]ccc2c1-c1ccc(-c2nnn[n-]2)cc1 ZINC001241444417 821838544 /nfs/dbraw/zinc/83/85/44/821838544.db2.gz AYJRXUVLPNWBKU-UHFFFAOYSA-N -1 3 291.314 3.024 20 0 CGADHM COc1ccc2[nH]ccc2c1-c1ccc(-c2nn[n-]n2)cc1 ZINC001241444417 821838551 /nfs/dbraw/zinc/83/85/51/821838551.db2.gz AYJRXUVLPNWBKU-UHFFFAOYSA-N -1 3 291.314 3.024 20 0 CGADHM Cc1c[nH]c2cccc(-c3ccc(-c4nnn[n-]4)cc3)c12 ZINC001241445445 821840909 /nfs/dbraw/zinc/84/09/09/821840909.db2.gz NTBAEAAAVHZCCF-UHFFFAOYSA-N -1 3 275.315 3.323 20 0 CGADHM Cc1c[nH]c2cccc(-c3ccc(-c4nn[n-]n4)cc3)c12 ZINC001241445445 821840916 /nfs/dbraw/zinc/84/09/16/821840916.db2.gz NTBAEAAAVHZCCF-UHFFFAOYSA-N -1 3 275.315 3.323 20 0 CGADHM Fc1cc(-c2ccc(-c3nnn[n-]3)cc2)cc2[nH]ccc21 ZINC001241445916 821841029 /nfs/dbraw/zinc/84/10/29/821841029.db2.gz VPBYWTPCQWSLTQ-UHFFFAOYSA-N -1 3 279.278 3.154 20 0 CGADHM Fc1cc(-c2ccc(-c3nn[n-]n3)cc2)cc2[nH]ccc21 ZINC001241445916 821841035 /nfs/dbraw/zinc/84/10/35/821841035.db2.gz VPBYWTPCQWSLTQ-UHFFFAOYSA-N -1 3 279.278 3.154 20 0 CGADHM C=Cc1cccc(-c2ccc(C)c(-c3nnn[n-]3)c2)c1 ZINC001241964706 822247901 /nfs/dbraw/zinc/24/79/01/822247901.db2.gz WJACROCUUWMXRO-UHFFFAOYSA-N -1 3 262.316 3.485 20 0 CGADHM C=Cc1cccc(-c2ccc(C)c(-c3nn[n-]n3)c2)c1 ZINC001241964706 822247906 /nfs/dbraw/zinc/24/79/06/822247906.db2.gz WJACROCUUWMXRO-UHFFFAOYSA-N -1 3 262.316 3.485 20 0 CGADHM C=Cc1ccccc1-c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001242011157 822276766 /nfs/dbraw/zinc/27/67/66/822276766.db2.gz WBPYGPFOWAOWOL-UHFFFAOYSA-N -1 3 266.279 3.316 20 0 CGADHM C=Cc1ccccc1-c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001242011157 822276770 /nfs/dbraw/zinc/27/67/70/822276770.db2.gz WBPYGPFOWAOWOL-UHFFFAOYSA-N -1 3 266.279 3.316 20 0 CGADHM COC(=O)c1nc2nc(-c3cccc(Cl)c3)ccc2[n-]1 ZINC001242145946 822893385 /nfs/dbraw/zinc/89/33/85/822893385.db2.gz DTFMGJUNMLYDHC-UHFFFAOYSA-N -1 3 287.706 3.065 20 0 CGADHM COC(=O)c1nc2ccc(-c3cccc(Cl)c3)[n-]c-2n1 ZINC001242145946 822893387 /nfs/dbraw/zinc/89/33/87/822893387.db2.gz DTFMGJUNMLYDHC-UHFFFAOYSA-N -1 3 287.706 3.065 20 0 CGADHM COC(=O)c1nc2ccc(-c3cccc(Cl)c3)nc2[n-]1 ZINC001242145946 822893389 /nfs/dbraw/zinc/89/33/89/822893389.db2.gz DTFMGJUNMLYDHC-UHFFFAOYSA-N -1 3 287.706 3.065 20 0 CGADHM Cn1nnc2ccc(-c3ccc([O-])c(C(F)(F)F)c3)cc21 ZINC001242163053 822900421 /nfs/dbraw/zinc/90/04/21/822900421.db2.gz VQYIZVSJMMJNLE-UHFFFAOYSA-N -1 3 293.248 3.360 20 0 CGADHM O=c1occ2[nH]cc(-c3ccc([O-])c(C(F)(F)F)c3)cc1-2 ZINC001242168383 822900974 /nfs/dbraw/zinc/90/09/74/822900974.db2.gz OAHNUIJSNIMKHM-UHFFFAOYSA-N -1 3 295.216 3.143 20 0 CGADHM O=C1CCCc2cc(-c3ccc(F)cc3[O-])ccc2N1 ZINC001242218986 822915435 /nfs/dbraw/zinc/91/54/35/822915435.db2.gz UNZFKNPFRGPHEW-UHFFFAOYSA-N -1 3 271.291 3.473 20 0 CGADHM CC(C)Oc1ccccc1-c1ccc(Cc2nnn[n-]2)cc1 ZINC001242225479 822918245 /nfs/dbraw/zinc/91/82/45/822918245.db2.gz VHAIRFLGWLNHDV-UHFFFAOYSA-N -1 3 294.358 3.245 20 0 CGADHM CC(C)Oc1ccccc1-c1ccc(Cc2nn[n-]n2)cc1 ZINC001242225479 822918250 /nfs/dbraw/zinc/91/82/50/822918250.db2.gz VHAIRFLGWLNHDV-UHFFFAOYSA-N -1 3 294.358 3.245 20 0 CGADHM FC1(F)CC=C(c2ccccc2-c2nnn[n-]2)CC1 ZINC001242232561 822919983 /nfs/dbraw/zinc/91/99/83/822919983.db2.gz BBQQVQCPFJDTHC-UHFFFAOYSA-N -1 3 262.263 3.069 20 0 CGADHM FC1(F)CC=C(c2ccccc2-c2nn[n-]n2)CC1 ZINC001242232561 822919984 /nfs/dbraw/zinc/91/99/84/822919984.db2.gz BBQQVQCPFJDTHC-UHFFFAOYSA-N -1 3 262.263 3.069 20 0 CGADHM c1cnc2cc(-c3ccc(Cc4nnn[n-]4)cc3)ccc2c1 ZINC001242251905 822927774 /nfs/dbraw/zinc/92/77/74/822927774.db2.gz RPAAEMRIXSZQBI-UHFFFAOYSA-N -1 3 287.326 3.006 20 0 CGADHM c1cnc2cc(-c3ccc(Cc4nn[n-]n4)cc3)ccc2c1 ZINC001242251905 822927777 /nfs/dbraw/zinc/92/77/77/822927777.db2.gz RPAAEMRIXSZQBI-UHFFFAOYSA-N -1 3 287.326 3.006 20 0 CGADHM Cc1cc(-c2nnn[n-]2)ccc1-c1cc(F)c(C)c(F)c1 ZINC001242288784 822939961 /nfs/dbraw/zinc/93/99/61/822939961.db2.gz QNSYSJHSXPTZJG-UHFFFAOYSA-N -1 3 286.285 3.429 20 0 CGADHM Cc1cc(-c2nn[n-]n2)ccc1-c1cc(F)c(C)c(F)c1 ZINC001242288784 822939962 /nfs/dbraw/zinc/93/99/62/822939962.db2.gz QNSYSJHSXPTZJG-UHFFFAOYSA-N -1 3 286.285 3.429 20 0 CGADHM CC(=O)Nc1ccc(C)cc1-c1cccc(F)c1[O-] ZINC001242350150 822960380 /nfs/dbraw/zinc/96/03/80/822960380.db2.gz ABMSLXQAAGWXMI-UHFFFAOYSA-N -1 3 259.280 3.465 20 0 CGADHM O=c1ccc(-c2cccc(F)c2[O-])cn1-c1ccccc1 ZINC001242353365 822962387 /nfs/dbraw/zinc/96/23/87/822962387.db2.gz ZCRVYKTWIXLIBC-UHFFFAOYSA-N -1 3 281.286 3.349 20 0 CGADHM CC1(C)Cc2ccc(-c3cccc(F)c3[O-])cc2C(=O)N1 ZINC001242353077 822962604 /nfs/dbraw/zinc/96/26/04/822962604.db2.gz AXHMVSBZXTVNRX-UHFFFAOYSA-N -1 3 285.318 3.263 20 0 CGADHM CC1(C)NC(=O)c2cc(-c3cccc(F)c3[O-])ccc21 ZINC001242353414 822962691 /nfs/dbraw/zinc/96/26/91/822962691.db2.gz OOHHIXBAPDMYLR-UHFFFAOYSA-N -1 3 271.291 3.177 20 0 CGADHM CC(C)Cn1cc(-c2cccc(F)c2[O-])ccc1=O ZINC001242354437 822963739 /nfs/dbraw/zinc/96/37/39/822963739.db2.gz ZUEZNANOUUPNLW-UHFFFAOYSA-N -1 3 261.296 3.016 20 0 CGADHM c1cc2cccc(-c3cccc(-c4nnn[n-]4)c3)c2[nH]1 ZINC001242363350 822967593 /nfs/dbraw/zinc/96/75/93/822967593.db2.gz KLEVLALAJRBGNB-UHFFFAOYSA-N -1 3 261.288 3.015 20 0 CGADHM c1cc2cccc(-c3cccc(-c4nn[n-]n4)c3)c2[nH]1 ZINC001242363350 822967595 /nfs/dbraw/zinc/96/75/95/822967595.db2.gz KLEVLALAJRBGNB-UHFFFAOYSA-N -1 3 261.288 3.015 20 0 CGADHM Fc1ccc(-c2nnn[n-]2)cc1-c1cccc2ccncc21 ZINC001242372931 822971907 /nfs/dbraw/zinc/97/19/07/822971907.db2.gz QRDZIEDPVQBHLX-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Fc1ccc(-c2nn[n-]n2)cc1-c1cccc2ccncc21 ZINC001242372931 822971909 /nfs/dbraw/zinc/97/19/09/822971909.db2.gz QRDZIEDPVQBHLX-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM CC[C@@H](F)C(=O)Nc1c(C)c(Br)ccc1[O-] ZINC001339012709 936344549 /nfs/dbraw/zinc/34/45/49/936344549.db2.gz UUQJKOJKVFTEPC-MRVPVSSYSA-N -1 3 290.132 3.150 20 0 CGADHM O=C(OCC1CSC1)c1cccc2[n-]c(C(F)F)nc21 ZINC001345235067 936807383 /nfs/dbraw/zinc/80/73/83/936807383.db2.gz YUGVTXFJLHBTJW-UHFFFAOYSA-N -1 3 298.314 3.020 20 0 CGADHM CN(CC1CCC1)C(=O)c1cc2sccc2c([O-])c1 ZINC001347227798 936874555 /nfs/dbraw/zinc/87/45/55/936874555.db2.gz WEEYYMHYVQBHOU-UHFFFAOYSA-N -1 3 275.373 3.479 20 0 CGADHM CC(C)c1oncc1[N-]C(=O)c1csc(C2CC2)n1 ZINC001353789094 937076877 /nfs/dbraw/zinc/07/68/77/937076877.db2.gz MWVZJIPFKUYAPK-UHFFFAOYSA-N -1 3 277.349 3.384 20 0 CGADHM Cc1coc(C(=O)[N-]c2nc(-c3ccccc3)ns2)c1 ZINC001357399222 937171834 /nfs/dbraw/zinc/17/18/34/937171834.db2.gz NSXMZQFRGQXZBZ-UHFFFAOYSA-N -1 3 285.328 3.359 20 0 CGADHM CC(=O)c1ccc(C(=O)Nc2cc(C)cc(F)c2)cc1[O-] ZINC001445699429 937359125 /nfs/dbraw/zinc/35/91/25/937359125.db2.gz PSTWJGNQZJUUCQ-UHFFFAOYSA-N -1 3 287.290 3.295 20 0 CGADHM CC1(C)[C@H](C(=O)[N-]OC2CCCC2)[C@H]1c1ccccc1 ZINC001446828720 937365070 /nfs/dbraw/zinc/36/50/70/937365070.db2.gz XSUZRVYZMHEKKS-CABCVRRESA-N -1 3 273.376 3.417 20 0 CGADHM CCc1ccc(C(=O)Nc2cc(F)cc(OC)c2)c([O-])c1 ZINC001446015460 937360694 /nfs/dbraw/zinc/36/06/94/937360694.db2.gz NWQOWFIJJVZBOU-UHFFFAOYSA-N -1 3 289.306 3.355 20 0 CGADHM C[C@@]1(CNC(=O)c2ccccc2[O-])CCCc2ccccc21 ZINC001447212452 937367133 /nfs/dbraw/zinc/36/71/33/937367133.db2.gz DPBUWFNZIBMKHM-IBGZPJMESA-N -1 3 295.382 3.416 20 0 CGADHM O=C(Nc1ccc(Cl)cc1[O-])[C@H]1CCc2cccnc21 ZINC001447286021 937367869 /nfs/dbraw/zinc/36/78/69/937367869.db2.gz GOFIUCHMLBYHQP-NSHDSACASA-N -1 3 288.734 3.109 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2coc3c2cccc3C)n1 ZINC001448617345 937375957 /nfs/dbraw/zinc/37/59/57/937375957.db2.gz DRTBIZBRWKBRLS-UHFFFAOYSA-N -1 3 282.299 3.403 20 0 CGADHM Cc1ccncc1C(=O)Nc1c([O-])cccc1Cl ZINC001450260207 937384367 /nfs/dbraw/zinc/38/43/67/937384367.db2.gz IKRUMRFBUMUJGM-UHFFFAOYSA-N -1 3 262.696 3.001 20 0 CGADHM Cc1cccc(CCC(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)c1 ZINC001450056358 937382276 /nfs/dbraw/zinc/38/22/76/937382276.db2.gz PCTYRBNCBNXVLP-UHFFFAOYSA-N -1 3 295.342 3.148 20 0 CGADHM C[C@H]1C[C@@H](CC(=O)[N-]OCc2ccccn2)CC(C)(C)C1 ZINC001451090729 937388967 /nfs/dbraw/zinc/38/89/67/937388967.db2.gz KLEOFRUPIPNINK-KBPBESRZSA-N -1 3 290.407 3.482 20 0 CGADHM C[C@@H]1CCC[C@H](C2CN(C(=O)c3ccccc3[O-])C2)C1 ZINC001455011059 937413977 /nfs/dbraw/zinc/41/39/77/937413977.db2.gz VIOLTDRYIXKOTJ-OLZOCXBDSA-N -1 3 273.376 3.291 20 0 CGADHM COc1ccc(C(=O)N[C@@H](C)c2cccc(C)c2)c([O-])c1 ZINC001546092109 937443502 /nfs/dbraw/zinc/44/35/02/937443502.db2.gz HXBHSQOJXVBJSR-LBPRGKRZSA-N -1 3 285.343 3.200 20 0 CGADHM C[C@@H]1[C@@H](C)CCCN1Cc1cc(F)c([O-])c(F)c1 ZINC000133711422 931973723 /nfs/dbraw/zinc/97/37/23/931973723.db2.gz HFOBVBKPYYWVPL-VHSXEESVSA-N -1 3 255.308 3.291 20 0 CGADHM C[C@@H]1C[C@H](Oc2ccccc2-c2nnn[n-]2)CC(C)(C)C1 ZINC001229951674 932507068 /nfs/dbraw/zinc/50/70/68/932507068.db2.gz SWPAPOCGWJWLDM-NEPJUHHUSA-N -1 3 286.379 3.460 20 0 CGADHM C[C@@H]1C[C@H](Oc2ccccc2-c2nn[n-]n2)CC(C)(C)C1 ZINC001229951674 932507075 /nfs/dbraw/zinc/50/70/75/932507075.db2.gz SWPAPOCGWJWLDM-NEPJUHHUSA-N -1 3 286.379 3.460 20 0 CGADHM Cc1ccc([C@H](C)Oc2nc(=O)[n-]c3c2SCC3)cc1 ZINC001230791350 932624625 /nfs/dbraw/zinc/62/46/25/932624625.db2.gz BRQRMBPMWYWYRM-JTQLQIEISA-N -1 3 288.372 3.279 20 0 CGADHM CC[C@@H]1CCCC[C@H]1Oc1ccc(-c2nn[n-]n2)cc1 ZINC001231072170 932670956 /nfs/dbraw/zinc/67/09/56/932670956.db2.gz ACBUSUUVTFWMJJ-BXUZGUMPSA-N -1 3 272.352 3.214 20 0 CGADHM CC[C@H]1CCCC[C@@H]1Oc1ccc(-c2nn[n-]n2)cc1 ZINC001231072171 932671242 /nfs/dbraw/zinc/67/12/42/932671242.db2.gz ACBUSUUVTFWMJJ-FZMZJTMJSA-N -1 3 272.352 3.214 20 0 CGADHM Cc1cc(-c2cc(C(F)(F)F)[n-]c(=S)n2)ccc1O ZINC001242104210 932700614 /nfs/dbraw/zinc/70/06/14/932700614.db2.gz FAPOAPSDHGELHA-UHFFFAOYSA-N -1 3 286.278 3.465 20 0 CGADHM CC[C@@H](NCc1nc(C)cc(=O)[n-]1)c1ccc(C)c(F)c1 ZINC001307611279 932976407 /nfs/dbraw/zinc/97/64/07/932976407.db2.gz MPAOHDYXRVHJCX-CQSZACIVSA-N -1 3 289.354 3.179 20 0 CGADHM CCc1ccc(C(=O)NCc2ccccc2CC)c([O-])c1 ZINC001465321186 937699956 /nfs/dbraw/zinc/69/99/56/937699956.db2.gz KCESDYMINCNTCC-UHFFFAOYSA-N -1 3 283.371 3.447 20 0 CGADHM CC(C)Sc1ccccc1[N-]C(=O)c1n[nH]cc1F ZINC001466052623 937705924 /nfs/dbraw/zinc/70/59/24/937705924.db2.gz VBKMWGISCIPBKB-UHFFFAOYSA-N -1 3 279.340 3.302 20 0 CGADHM Cc1ccc2c(c1)C=C(C(=O)Nc1cc(F)ccc1[O-])CO2 ZINC001466631907 937710940 /nfs/dbraw/zinc/71/09/40/937710940.db2.gz ZTBRQTBIGDRSIW-UHFFFAOYSA-N -1 3 299.301 3.254 20 0 CGADHM CCc1ccc(CC(=O)Nc2ccc(Cl)cc2[O-])nc1 ZINC001466629727 937711026 /nfs/dbraw/zinc/71/10/26/937711026.db2.gz VRJCMXVKSYOOSE-UHFFFAOYSA-N -1 3 290.750 3.184 20 0 CGADHM CC[C@H]1CCC[C@@]1(C)C(=O)[N-]OCc1ccccc1OC ZINC001467568792 937719305 /nfs/dbraw/zinc/71/93/05/937719305.db2.gz GBEZWZXOBRSQON-WMLDXEAASA-N -1 3 291.391 3.459 20 0 CGADHM CSCCO[N-]C(=O)CCCc1ccc(C2CC2)cc1 ZINC001467720439 937721684 /nfs/dbraw/zinc/72/16/84/937721684.db2.gz BERMAYPUHWTPED-UHFFFAOYSA-N -1 3 293.432 3.298 20 0 CGADHM CCc1ccc(C(=O)N[C@H]2CCc3ccc(O)cc32)c([O-])c1 ZINC001470255743 937750113 /nfs/dbraw/zinc/75/01/13/937750113.db2.gz ZPJGRMLIDPPBLF-INIZCTEOSA-N -1 3 297.354 3.078 20 0 CGADHM Cc1ccccc1CCC(=O)[N-]Oc1ccccc1F ZINC001471717399 937768728 /nfs/dbraw/zinc/76/87/28/937768728.db2.gz OAENMUQPYCQFGE-UHFFFAOYSA-N -1 3 273.307 3.177 20 0 CGADHM Cc1ccc(F)c(C(=O)[N-]Oc2ccccc2F)c1F ZINC001471718736 937768890 /nfs/dbraw/zinc/76/88/90/937768890.db2.gz QWDZATXYYZZEIK-UHFFFAOYSA-N -1 3 281.233 3.136 20 0 CGADHM CCC1(C(=O)[N-]OCCOc2ccccc2)CCCCC1 ZINC001472342045 937775781 /nfs/dbraw/zinc/77/57/81/937775781.db2.gz RTVVEVRCNQAEMD-UHFFFAOYSA-N -1 3 291.391 3.474 20 0 CGADHM CS[C@@H]1CC[C@H](N(C)Cc2ccc(C(=O)[O-])cc2F)C1 ZINC001327341237 935054729 /nfs/dbraw/zinc/05/47/29/935054729.db2.gz NBYCNLYDSRDIPJ-QWHCGFSZSA-N -1 3 297.395 3.240 20 0 CGADHM CC(=O)[C@H](C)CCOC(=O)CCCc1ccc([O-])c(F)c1 ZINC001327966690 935103623 /nfs/dbraw/zinc/10/36/23/935103623.db2.gz KQGRZPWWXZOAHZ-LLVKDONJSA-N -1 3 296.338 3.012 20 0 CGADHM Cc1cc(=O)[n-]c(NC[C@@H]2CCCO[C@@H]2c2ccccc2)n1 ZINC001337746791 936285527 /nfs/dbraw/zinc/28/55/27/936285527.db2.gz RJQZZSYFARFSFP-GOEBONIOSA-N -1 3 299.374 3.070 20 0 CGADHM Cc1ccc(F)cc1CN1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001473766753 937820882 /nfs/dbraw/zinc/82/08/82/937820882.db2.gz VXRPWXAXFZRKJH-UHFFFAOYSA-N -1 3 299.349 3.023 20 0 CGADHM O=S(=O)([N-]C1(C2CC2)CCC1)c1ccc(Cl)s1 ZINC001475668943 937884724 /nfs/dbraw/zinc/88/47/24/937884724.db2.gz IYMVHFXLULHGQR-UHFFFAOYSA-N -1 3 291.825 3.013 20 0 CGADHM COc1ccc(C(=O)[N-]c2cccc(F)c2SC)o1 ZINC001528394843 938067312 /nfs/dbraw/zinc/06/73/12/938067312.db2.gz FWHJRYWCYUQSOQ-UHFFFAOYSA-N -1 3 281.308 3.402 20 0 CGADHM C[C@@H](C(=O)Nc1nnc(C(F)(F)F)[n-]1)[C@H](C)C(C)(C)C ZINC001538229933 938116402 /nfs/dbraw/zinc/11/64/02/938116402.db2.gz NGWDUUPRBMMVTB-RQJHMYQMSA-N -1 3 292.305 3.080 20 0 CGADHM C[C@@H](C(=O)Nc1nc(C(F)(F)F)n[n-]1)[C@H](C)C(C)(C)C ZINC001538229933 938116403 /nfs/dbraw/zinc/11/64/03/938116403.db2.gz NGWDUUPRBMMVTB-RQJHMYQMSA-N -1 3 292.305 3.080 20 0 CGADHM O=C([O-])[C@H]1CN(Cc2cc(Cl)ccc2F)C[C@@H]1C1CC1 ZINC001549118223 938155497 /nfs/dbraw/zinc/15/54/97/938155497.db2.gz ZTDURPLNHBOZLG-OLZOCXBDSA-N -1 3 297.757 3.022 20 0 CGADHM CC1(C)[C@@H](NCc2ccc(C(=O)[O-])o2)[C@H]1c1ccccc1 ZINC001550346109 938165958 /nfs/dbraw/zinc/16/59/58/938165958.db2.gz XVGVZZAUPBWFJN-CABCVRRESA-N -1 3 285.343 3.260 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])c1cc2ccncc2s1 ZINC001556081584 938201622 /nfs/dbraw/zinc/20/16/22/938201622.db2.gz CZPNOGLMADOJQU-UHFFFAOYSA-N -1 3 288.303 3.393 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2cc3c(ccc(C)c3C)[nH]2)n1 ZINC001556408353 938203579 /nfs/dbraw/zinc/20/35/79/938203579.db2.gz KAQGCLZKPXETQO-UHFFFAOYSA-N -1 3 295.342 3.446 20 0 CGADHM Cc1ccc(C(=O)NC2[C@@H](C)CCC[C@@H]2C)c([O-])c1 ZINC001556547224 938204324 /nfs/dbraw/zinc/20/43/24/938204324.db2.gz ZHIBYGMWDFQVFG-RYUDHWBXSA-N -1 3 261.365 3.255 20 0 CGADHM O=C(Nc1ccc2occc2c1)c1[n-]cnc1C(F)(F)F ZINC001557956970 938212675 /nfs/dbraw/zinc/21/26/75/938212675.db2.gz PNGYLDHULKHDTE-UHFFFAOYSA-N -1 3 295.220 3.427 20 0 CGADHM O=C(Nc1ccc2occc2c1)c1nc[n-]c1C(F)(F)F ZINC001557956970 938212676 /nfs/dbraw/zinc/21/26/76/938212676.db2.gz PNGYLDHULKHDTE-UHFFFAOYSA-N -1 3 295.220 3.427 20 0 CGADHM Cc1cc(F)c(C(=O)[N-]Oc2ccccc2F)c(F)c1 ZINC001558228355 938214344 /nfs/dbraw/zinc/21/43/44/938214344.db2.gz XHQSAXSDJTUMNC-UHFFFAOYSA-N -1 3 281.233 3.136 20 0 CGADHM O=C([O-])c1cccc(CNCc2cc(Cl)cs2)c1 ZINC001595245202 949515079 /nfs/dbraw/zinc/51/50/79/949515079.db2.gz YTXQRATZFSNPDO-UHFFFAOYSA-N -1 3 281.764 3.390 20 0 CGADHM CCC1(NCc2ccc(C(=O)[O-])cc2Br)CC1 ZINC000379714418 971655192 /nfs/dbraw/zinc/65/51/92/971655192.db2.gz WRDNUUBYBVFUSS-UHFFFAOYSA-N -1 3 298.180 3.180 20 0 CGADHM Cc1scc(CN[C@@H](C(=O)[O-])c2ccc(F)cc2)c1C ZINC001594513594 955409055 /nfs/dbraw/zinc/40/90/55/955409055.db2.gz XUIYXVMSYQOGFV-CQSZACIVSA-N -1 3 293.363 3.420 20 0 CGADHM Cc1ccccc1CN1CCc2c(cccc2C(=O)[O-])C1 ZINC000124567032 958536086 /nfs/dbraw/zinc/53/60/86/958536086.db2.gz QHHOLZDDJHWBLD-UHFFFAOYSA-N -1 3 281.355 3.252 20 0 CGADHM Cc1cc([C@H](C)NCc2ccccc2CC(=O)[O-])c(C)o1 ZINC000167627488 959352734 /nfs/dbraw/zinc/35/27/34/959352734.db2.gz QUPYWJCPFGXFKK-LBPRGKRZSA-N -1 3 287.359 3.374 20 0 CGADHM C[C@H](c1cc(F)ccc1F)N1CCC[C@](C)(C(=O)[O-])C1 ZINC000227829205 959970780 /nfs/dbraw/zinc/97/07/80/959970780.db2.gz MJMSKEGUGVSFCO-BMIGLBTASA-N -1 3 283.318 3.213 20 0 CGADHM CC[C@H](CSC)N(C)Cc1cc(C(=O)[O-])ccc1F ZINC000231028433 960181204 /nfs/dbraw/zinc/18/12/04/960181204.db2.gz PQHOYRSMIOKEJA-GFCCVEGCSA-N -1 3 285.384 3.097 20 0 CGADHM CCC[C@H]1[C@@H](C)CCCN1Cc1ncc(C(=O)[O-])s1 ZINC001595619687 960532850 /nfs/dbraw/zinc/53/28/50/960532850.db2.gz LURYWLTUZGJBFZ-QWRGUYRKSA-N -1 3 282.409 3.242 20 0 CGADHM CCN(CCC(=O)[O-])Cc1cc(C(F)(F)F)ccc1F ZINC001596314875 960537613 /nfs/dbraw/zinc/53/76/13/960537613.db2.gz MUZZWAAVKCFMTI-UHFFFAOYSA-N -1 3 293.260 3.141 20 0 CGADHM CC(C)(C(=O)Nc1cc(Cl)ccc1[O-])c1nccs1 ZINC001566639538 960972354 /nfs/dbraw/zinc/97/23/54/960972354.db2.gz WKUJKRCIFCGEOV-UHFFFAOYSA-N -1 3 296.779 3.418 20 0 CGADHM CCCCCc1cc(C(=O)Nc2cc(F)ccc2[O-])n[nH]1 ZINC001567234338 961144923 /nfs/dbraw/zinc/14/49/23/961144923.db2.gz GVNBYJWJPIODCN-UHFFFAOYSA-N -1 3 291.326 3.239 20 0 CGADHM CCc1cncc(C(=O)Nc2c([O-])cccc2Cl)c1 ZINC001569682886 961823702 /nfs/dbraw/zinc/82/37/02/961823702.db2.gz XKCJFGQDHMHKRC-UHFFFAOYSA-N -1 3 276.723 3.255 20 0 CGADHM CC[C@@H](CCC(F)(F)F)Nc1cccc(-c2nnn[n-]2)c1 ZINC001576766537 962492696 /nfs/dbraw/zinc/49/26/96/962492696.db2.gz GIRFUJFFCNRKDP-JTQLQIEISA-N -1 3 299.300 3.400 20 0 CGADHM CC[C@@H](CCC(F)(F)F)Nc1cccc(-c2nn[n-]n2)c1 ZINC001576766537 962492709 /nfs/dbraw/zinc/49/27/09/962492709.db2.gz GIRFUJFFCNRKDP-JTQLQIEISA-N -1 3 299.300 3.400 20 0 CGADHM CCc1cccc(NCc2csc(-c3nnn[n-]3)c2)c1 ZINC001578534292 962590367 /nfs/dbraw/zinc/59/03/67/962590367.db2.gz UXHBGKGDYSWTEC-UHFFFAOYSA-N -1 3 285.376 3.103 20 0 CGADHM Cc1c(NC[C@H](C)CC(C)C)cccc1-c1nnn[n-]1 ZINC001580559838 962735294 /nfs/dbraw/zinc/73/52/94/962735294.db2.gz JMIKWWKFYOZFJC-LLVKDONJSA-N -1 3 273.384 3.269 20 0 CGADHM Cc1c(NC[C@H](C)CC(C)C)cccc1-c1nn[n-]n1 ZINC001580559838 962735317 /nfs/dbraw/zinc/73/53/17/962735317.db2.gz JMIKWWKFYOZFJC-LLVKDONJSA-N -1 3 273.384 3.269 20 0 CGADHM CCC[C@@]1(C)CCCN(C(=O)c2c([O-])cccc2OC)C1 ZINC001586989424 963157173 /nfs/dbraw/zinc/15/71/73/963157173.db2.gz JFACMSWXJALXEV-KRWDZBQOSA-N -1 3 291.391 3.443 20 0 CGADHM c1cc(-c2nn[n-]n2)ccc1NCCC1=CCCCC1 ZINC001588384440 963272284 /nfs/dbraw/zinc/27/22/84/963272284.db2.gz OAGYEPNBAVYHJY-UHFFFAOYSA-N -1 3 269.352 3.169 20 0 CGADHM C=C/C=C/CCOc1c(C)cc(Cl)cc1-c1nnn[n-]1 ZINC001588529569 963277082 /nfs/dbraw/zinc/27/70/82/963277082.db2.gz CGLRPBXBGBGNKT-SNAWJCMRSA-N -1 3 290.754 3.340 20 0 CGADHM C=C/C=C/CCOc1c(C)cc(Cl)cc1-c1nn[n-]n1 ZINC001588529569 963277090 /nfs/dbraw/zinc/27/70/90/963277090.db2.gz CGLRPBXBGBGNKT-SNAWJCMRSA-N -1 3 290.754 3.340 20 0 CGADHM C/C(=C/Cl)CSCc1ccccc1-c1nnn[n-]1 ZINC001588768157 963314019 /nfs/dbraw/zinc/31/40/19/963314019.db2.gz LIBHZRUQXCKJQE-TWGQIWQCSA-N -1 3 280.784 3.243 20 0 CGADHM C/C(=C/Cl)CSCc1ccccc1-c1nn[n-]n1 ZINC001588768157 963314025 /nfs/dbraw/zinc/31/40/25/963314025.db2.gz LIBHZRUQXCKJQE-TWGQIWQCSA-N -1 3 280.784 3.243 20 0 CGADHM C[C@H](N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21)c1ccoc1 ZINC001589123604 963341495 /nfs/dbraw/zinc/34/14/95/963341495.db2.gz MWGZYXRCBHIWSU-NZVBXONLSA-N -1 3 271.316 3.243 20 0 CGADHM CC(C)C(C)(C)Sc1ncc(-c2nnn[n-]2)cc1Cl ZINC001589425190 963989057 /nfs/dbraw/zinc/98/90/57/963989057.db2.gz DBQPLJSGNVEHNK-UHFFFAOYSA-N -1 3 297.815 3.442 20 0 CGADHM CC(C)C(C)(C)Sc1ncc(-c2nn[n-]n2)cc1Cl ZINC001589425190 963989066 /nfs/dbraw/zinc/98/90/66/963989066.db2.gz DBQPLJSGNVEHNK-UHFFFAOYSA-N -1 3 297.815 3.442 20 0 CGADHM CC(C)C[C@@H](C)CN1CCCc2c(-c3nnn[n-]3)cccc21 ZINC001589550290 964001572 /nfs/dbraw/zinc/00/15/72/964001572.db2.gz VFYGOJURWMZPSG-CYBMUJFWSA-N -1 3 299.422 3.302 20 0 CGADHM CC(C)C[C@@H](C)CN1CCCc2c(-c3nn[n-]n3)cccc21 ZINC001589550290 964001587 /nfs/dbraw/zinc/00/15/87/964001587.db2.gz VFYGOJURWMZPSG-CYBMUJFWSA-N -1 3 299.422 3.302 20 0 CGADHM CC(C)c1ccc(CNCc2cc(C(=O)[O-])n(C)c2)cc1 ZINC001591957216 976527866 /nfs/dbraw/zinc/52/78/66/976527866.db2.gz DSEFIIFGBBZIRK-UHFFFAOYSA-N -1 3 286.375 3.137 20 0 CGADHM C[C@@H](C1CC1)N(Cc1nc2cc(C(=O)[O-])ccc2[nH]1)C1CC1 ZINC001592181705 977109837 /nfs/dbraw/zinc/10/98/37/977109837.db2.gz YLFQXQNZDLKCPW-JTQLQIEISA-N -1 3 299.374 3.024 20 0 CGADHM CCC(CC)(NCc1csc(CCC(C)C)n1)C(=O)[O-] ZINC001595101681 979410773 /nfs/dbraw/zinc/41/07/73/979410773.db2.gz XVNQRDXITDVLAZ-UHFFFAOYSA-N -1 3 298.452 3.465 20 0 CGADHM CCC[C@@H](NCc1cncc(C(=O)[O-])c1)c1ccccc1 ZINC001595601082 981586315 /nfs/dbraw/zinc/58/63/15/981586315.db2.gz TYEGQAXWXLXLIU-MRXNPFEDSA-N -1 3 284.359 3.411 20 0 CGADHM Cc1[nH]c(CN2CC[C@@H]3CCCC[C@@H]3C2)cc1C(=O)[O-] ZINC001599964397 985870698 /nfs/dbraw/zinc/87/06/98/985870698.db2.gz ZJPZIMQQPHOBOS-QWHCGFSZSA-N -1 3 276.380 3.033 20 0 CGADHM CCOc1ccc(Cl)cc1CN(CC)CCC(=O)[O-] ZINC001597106830 986751288 /nfs/dbraw/zinc/75/12/88/986751288.db2.gz UTXIZEWCEOTSMN-UHFFFAOYSA-N -1 3 285.771 3.035 20 0 CGADHM CSCC(C)(C)NCc1cc(C(=O)[O-])ccc1Cl ZINC001599790648 988001383 /nfs/dbraw/zinc/00/13/83/988001383.db2.gz LXBZBEYKPKWNDX-UHFFFAOYSA-N -1 3 287.812 3.269 20 0 CGADHM CC(C)=CCN1CCCC[C@H]1c1ccc(C(=O)[O-])n1C ZINC001590920924 990907619 /nfs/dbraw/zinc/90/76/19/990907619.db2.gz JDSYQXHSRFXQDN-AWEZNQCLSA-N -1 3 276.380 3.217 20 0 CGADHM CC(C)[C@@H]1CCC[C@@H](NCc2ncc(C(=O)[O-])s2)C1 ZINC001591088190 991619155 /nfs/dbraw/zinc/61/91/55/991619155.db2.gz DQSJXWODIURRSI-GHMZBOCLSA-N -1 3 282.409 3.146 20 0 CGADHM CC(C)C[C@@H](C(=O)[O-])N1CCc2c(Cl)cc(F)cc2C1 ZINC001591123410 991808261 /nfs/dbraw/zinc/80/82/61/991808261.db2.gz ZWYQJJYVMBKUDP-AWEZNQCLSA-N -1 3 299.773 3.337 20 0 CGADHM CC(C)C[C@@]1(C)CCCN1Cc1nc(C(=O)[O-])cs1 ZINC001591197247 992016696 /nfs/dbraw/zinc/01/66/96/992016696.db2.gz WXSKYJVWMVVEHQ-CQSZACIVSA-N -1 3 282.409 3.242 20 0 CGADHM O=C(Nc1ccccc1[O-])C1CCC(OC(F)F)CC1 ZINC000350700338 219049296 /nfs/dbraw/zinc/04/92/96/219049296.db2.gz NBTJNRKBVRINII-UHFFFAOYSA-N -1 3 285.290 3.129 20 0 CGADHM CO[C@@H](C)CCC(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000337668224 214206191 /nfs/dbraw/zinc/20/61/91/214206191.db2.gz VUZGNYOXSOZYSY-NSHDSACASA-N -1 3 279.380 3.443 20 0 CGADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1CC[C@@H](C2CC2)C1 ZINC000621937707 349610453 /nfs/dbraw/zinc/61/04/53/349610453.db2.gz KFVQIKFLNNNGML-SNVBAGLBSA-N -1 3 299.292 3.283 20 0 CGADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1CC[C@H]1C1CC1 ZINC000622076281 349627274 /nfs/dbraw/zinc/62/72/74/349627274.db2.gz YYVKDQXHQZPGGD-LBPRGKRZSA-N -1 3 285.265 3.036 20 0 CGADHM CN(Cc1ccc(Cl)cc1)C(=O)c1c([O-])cccc1O ZINC000125552295 187190737 /nfs/dbraw/zinc/19/07/37/187190737.db2.gz PRBACGYQWZYGHC-UHFFFAOYSA-N -1 3 291.734 3.023 20 0 CGADHM CC1(CC(=O)Nc2nnc(-c3ccco3)[n-]2)CCCCC1 ZINC000338052493 214378873 /nfs/dbraw/zinc/37/88/73/214378873.db2.gz UVLRZEOYUUXYAE-UHFFFAOYSA-N -1 3 288.351 3.364 20 0 CGADHM CC1(CC(=O)Nc2nc(-c3ccco3)n[n-]2)CCCCC1 ZINC000338052493 214378875 /nfs/dbraw/zinc/37/88/75/214378875.db2.gz UVLRZEOYUUXYAE-UHFFFAOYSA-N -1 3 288.351 3.364 20 0 CGADHM CC1(CC(=O)Nc2n[n-]c(-c3ccco3)n2)CCCCC1 ZINC000338052493 214378876 /nfs/dbraw/zinc/37/88/76/214378876.db2.gz UVLRZEOYUUXYAE-UHFFFAOYSA-N -1 3 288.351 3.364 20 0 CGADHM CC(=O)c1cccc(NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)c1[O-] ZINC000652167178 398326141 /nfs/dbraw/zinc/32/61/41/398326141.db2.gz MYEJSYDBEBUJCB-MBNYWOFBSA-N -1 3 285.343 3.136 20 0 CGADHM CCc1cccc(C(=O)NCC2(C(C)C)CC2)c1[O-] ZINC000622421748 349677389 /nfs/dbraw/zinc/67/73/89/349677389.db2.gz ISBWLPCZBNIJTO-UHFFFAOYSA-N -1 3 261.365 3.121 20 0 CGADHM COc1ccc(F)c([N-]C(=O)c2nnc(C(C)C)s2)c1 ZINC000622426013 349677459 /nfs/dbraw/zinc/67/74/59/349677459.db2.gz VGIVWZWEOLIWFF-UHFFFAOYSA-N -1 3 295.339 3.062 20 0 CGADHM CCc1nc([N-]C(=O)c2nnc(C(C)C)s2)sc1C ZINC000622318082 349671202 /nfs/dbraw/zinc/67/12/02/349671202.db2.gz ZMNUZOBJGIUOOD-UHFFFAOYSA-N -1 3 296.421 3.241 20 0 CGADHM CC(C)(CNC(=O)c1ccccc1[O-])C1CCCC1 ZINC000622461299 349680875 /nfs/dbraw/zinc/68/08/75/349680875.db2.gz LYMIWNMUSLXMNA-UHFFFAOYSA-N -1 3 261.365 3.338 20 0 CGADHM CCc1cc(C(=O)N(CC)C[C@H](C)CC)ccc1[O-] ZINC000436701525 529510758 /nfs/dbraw/zinc/51/07/58/529510758.db2.gz AVWAEGPYYXUOPN-GFCCVEGCSA-N -1 3 263.381 3.463 20 0 CGADHM CCc1cc(C(=O)N[C@@H]2C[C@]2(F)c2ccccc2)ccc1[O-] ZINC000424987779 529519548 /nfs/dbraw/zinc/51/95/48/529519548.db2.gz DAIHUGCUSLHHGA-AEFFLSMTSA-N -1 3 299.345 3.322 20 0 CGADHM C[C@@H]1CCCC[C@H]1CC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000591175160 346907092 /nfs/dbraw/zinc/90/70/92/346907092.db2.gz HPLQEXFJLVKJOB-YPMHNXCESA-N -1 3 299.378 3.022 20 0 CGADHM C[C@@H]1CCCC[C@H]1CC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000591175160 346907094 /nfs/dbraw/zinc/90/70/94/346907094.db2.gz HPLQEXFJLVKJOB-YPMHNXCESA-N -1 3 299.378 3.022 20 0 CGADHM Cc1ccccc1N(C)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000622764294 349700979 /nfs/dbraw/zinc/70/09/79/349700979.db2.gz BOMIFFFBWQTYRS-UHFFFAOYSA-N -1 3 269.348 3.004 20 0 CGADHM CCc1ccc(-c2nc(-c3ccoc3)no2)c([O-])c1 ZINC000436872249 529575439 /nfs/dbraw/zinc/57/54/39/529575439.db2.gz JULVSSLCUXLOGR-UHFFFAOYSA-N -1 3 256.261 3.265 20 0 CGADHM CCc1cc(=O)[n-]c(CN2CCC(c3ccccc3)CC2)n1 ZINC000176801707 529563979 /nfs/dbraw/zinc/56/39/79/529563979.db2.gz LVOYDRMXVVSSKJ-UHFFFAOYSA-N -1 3 297.402 3.124 20 0 CGADHM CCc1cc(=O)[n-]c(CN[C@@H](C)c2c(C)cccc2C)n1 ZINC000355030948 529566024 /nfs/dbraw/zinc/56/60/24/529566024.db2.gz FEHDHAQJXFBGSV-ZDUSSCGKSA-N -1 3 285.391 3.212 20 0 CGADHM CCc1ccc(C(=O)Nc2ccc3nc(C)cn3c2)c([O-])c1 ZINC000436820705 529610028 /nfs/dbraw/zinc/61/00/28/529610028.db2.gz MJTUYAHIFYKUPP-UHFFFAOYSA-N -1 3 295.342 3.163 20 0 CGADHM CCc1ccc(C(=O)Nc2cccc(CN(C)C)c2)c([O-])c1 ZINC000436797879 529611078 /nfs/dbraw/zinc/61/10/78/529611078.db2.gz PWCYURHDEFWQOU-UHFFFAOYSA-N -1 3 298.386 3.269 20 0 CGADHM CCc1ccc(C(=O)N2CC[C@@H](C(C)C)C2)c([O-])c1 ZINC000436826520 529599469 /nfs/dbraw/zinc/59/94/69/529599469.db2.gz ALECZMFCHJKJSO-CYBMUJFWSA-N -1 3 261.365 3.073 20 0 CGADHM CCc1ccc(C(=O)N2CCc3ccc(F)cc3C2)c([O-])c1 ZINC000436840103 529600832 /nfs/dbraw/zinc/60/08/32/529600832.db2.gz VWNOSJMJBWAANH-UHFFFAOYSA-N -1 3 299.345 3.292 20 0 CGADHM CC(C)CCc1noc(-c2n[n-]nc2-c2ccccc2)n1 ZINC000350972727 219072248 /nfs/dbraw/zinc/07/22/48/219072248.db2.gz SWXDBNSYFFABAQ-UHFFFAOYSA-N -1 3 283.335 3.110 20 0 CGADHM Cc1ccc(NC(=O)C[C@H](C)C(F)(F)F)c([O-])c1 ZINC000623416729 349802481 /nfs/dbraw/zinc/80/24/81/349802481.db2.gz FBJOSJVPKGKGNT-QMMMGPOBSA-N -1 3 261.243 3.228 20 0 CGADHM CCc1nc(C)c(NC(=O)c2cccc(C)c2[O-])s1 ZINC000436640190 529728274 /nfs/dbraw/zinc/72/82/74/529728274.db2.gz HEYNSBPXTDUWSW-UHFFFAOYSA-N -1 3 276.361 3.280 20 0 CGADHM Cc1ccc(NC(=O)C(C)(C)C(=O)OC(C)(C)C)c([O-])c1 ZINC000592745589 347015602 /nfs/dbraw/zinc/01/56/02/347015602.db2.gz BBXOHWMZEZNKME-UHFFFAOYSA-N -1 3 293.363 3.007 20 0 CGADHM Cc1nnc([N-]C(=O)c2cc3cc(C)c(C)cc3o2)s1 ZINC000173713702 282331785 /nfs/dbraw/zinc/33/17/85/282331785.db2.gz UFPGCJSGBPUCPP-UHFFFAOYSA-N -1 3 287.344 3.462 20 0 CGADHM O=C(Nc1ncccc1[O-])c1cccc(Cl)c1Cl ZINC000022263366 344895174 /nfs/dbraw/zinc/89/51/74/344895174.db2.gz YJEOABXKLMRHKC-UHFFFAOYSA-N -1 3 283.114 3.346 20 0 CGADHM COc1ccc(/C=C\C(=O)Nc2ccccc2[O-])cc1 ZINC000034138036 344937732 /nfs/dbraw/zinc/93/77/32/344937732.db2.gz RZSRUQZHKRRCQS-FLIBITNWSA-N -1 3 269.300 3.053 20 0 CGADHM C[C@@H](Oc1ccc(F)c(F)c1)C(=O)Nc1ccccc1[O-] ZINC000066042807 345282877 /nfs/dbraw/zinc/28/28/77/345282877.db2.gz RFXMRSJZVPEDPF-SECBINFHSA-N -1 3 293.269 3.076 20 0 CGADHM CC(C)(C)c1nsc([N-]C(=O)c2cccnc2Cl)n1 ZINC000068074091 345342647 /nfs/dbraw/zinc/34/26/47/345342647.db2.gz LLXKVQQAXPFLNL-UHFFFAOYSA-N -1 3 296.783 3.136 20 0 CGADHM CSc1nsc([N-]C(=O)c2ccc(Cl)s2)n1 ZINC000078713685 345620161 /nfs/dbraw/zinc/62/01/61/345620161.db2.gz UOZARUUOYGPIKB-UHFFFAOYSA-N -1 3 291.810 3.227 20 0 CGADHM O=C(Nc1ccccc1[O-])C1CC(OCc2ccccc2)C1 ZINC000080063684 345665232 /nfs/dbraw/zinc/66/52/32/345665232.db2.gz QOUOYZNQNJMUNS-UHFFFAOYSA-N -1 3 297.354 3.326 20 0 CGADHM CCc1cccc(C(=O)N[C@H](CC)c2nccs2)c1[O-] ZINC000094163460 345897442 /nfs/dbraw/zinc/89/74/42/345897442.db2.gz AKBSDTFVDMICHU-GFCCVEGCSA-N -1 3 290.388 3.292 20 0 CGADHM Cc1cc([N-]S(=O)(=O)c2cccc(C(C)C)c2)ccn1 ZINC000174004831 232292655 /nfs/dbraw/zinc/29/26/55/232292655.db2.gz GZUQGDFGVIXPFG-UHFFFAOYSA-N -1 3 290.388 3.314 20 0 CGADHM Cc1noc(C)c1[C@H](C)NC(=O)c1ccc(C)c(C)c1[O-] ZINC000113989585 345963314 /nfs/dbraw/zinc/96/33/14/345963314.db2.gz QQCBVSYSWNTPRG-JTQLQIEISA-N -1 3 288.347 3.105 20 0 CGADHM [O-]c1ccc(-c2noc(-c3ccc4c(c3)CCO4)n2)cc1 ZINC000106790433 345932455 /nfs/dbraw/zinc/93/24/55/345932455.db2.gz UXASKFBQILZDND-UHFFFAOYSA-N -1 3 280.283 3.044 20 0 CGADHM COc1cc(C)cc(C(=O)N2CCc3ccc(C)cc32)c1[O-] ZINC000106912715 345932857 /nfs/dbraw/zinc/93/28/57/345932857.db2.gz WSTMPNLHKQVYNF-UHFFFAOYSA-N -1 3 297.354 3.221 20 0 CGADHM O=[S@@](CCOC1CCCCCC1)c1ccc([O-])cc1 ZINC000119960424 345995993 /nfs/dbraw/zinc/99/59/93/345995993.db2.gz NAZHNQZLSUBBJA-LJQANCHMSA-N -1 3 282.405 3.239 20 0 CGADHM COC(=O)c1ccc(C(=O)[N-]c2cc(F)ccc2Cl)o1 ZINC000123071040 346007641 /nfs/dbraw/zinc/00/76/41/346007641.db2.gz WMGKDZZIUQYOFR-UHFFFAOYSA-N -1 3 297.669 3.111 20 0 CGADHM Cc1ccc(C(=O)NC[C@@H](c2cccnc2)C(C)C)c([O-])c1 ZINC000175332931 232318124 /nfs/dbraw/zinc/31/81/24/232318124.db2.gz BHXSIEIZDXLLPZ-MRXNPFEDSA-N -1 3 298.386 3.265 20 0 CGADHM O=C(Nc1ccccc1[O-])c1coc(-c2ccccc2)n1 ZINC000130262264 346056044 /nfs/dbraw/zinc/05/60/44/346056044.db2.gz NYFCVENWOJBEDK-UHFFFAOYSA-N -1 3 280.283 3.300 20 0 CGADHM C[C@H]1CCCC[C@@H]1CNC(=O)NCc1ccc([O-])c(F)c1 ZINC000157729628 346162680 /nfs/dbraw/zinc/16/26/80/346162680.db2.gz OJDQNOMHVWWNBZ-WCQYABFASA-N -1 3 294.370 3.157 20 0 CGADHM CC(C)CN(C(=O)NCc1ccc([O-])c(F)c1)C(C)C ZINC000172659943 346228840 /nfs/dbraw/zinc/22/88/40/346228840.db2.gz MTLSLJMRMOQRNI-UHFFFAOYSA-N -1 3 282.359 3.107 20 0 CGADHM O=C([O-])[C@H](NCc1ccc(Cl)cc1)c1ccsc1 ZINC000211814974 346286095 /nfs/dbraw/zinc/28/60/95/346286095.db2.gz YQDLNSQFTCGXGB-GFCCVEGCSA-N -1 3 281.764 3.317 20 0 CGADHM CC(C)C1CCN([C@H](C)c2ccc(C(=O)[O-])o2)CC1 ZINC000232544860 346325989 /nfs/dbraw/zinc/32/59/89/346325989.db2.gz SCBUCULWDQJCTQ-LLVKDONJSA-N -1 3 265.353 3.407 20 0 CGADHM CC(C)C1CCN(Cc2ccc(C(=O)[O-])c(F)c2)CC1 ZINC000232541023 346326432 /nfs/dbraw/zinc/32/64/32/346326432.db2.gz PSVSDCZZNCYWSY-UHFFFAOYSA-N -1 3 279.355 3.392 20 0 CGADHM C[C@@H]1CC[C@H](C)CN1Cc1ccc(C(=O)[O-])c(F)c1 ZINC000235656474 346336963 /nfs/dbraw/zinc/33/69/63/346336963.db2.gz KXPMBVMCGTTZNK-WDEREUQCSA-N -1 3 265.328 3.144 20 0 CGADHM O=C([O-])c1ccc(CN2CCCCC2)cc1Cl ZINC000257868928 346400604 /nfs/dbraw/zinc/40/06/04/346400604.db2.gz AERLJDIZPUARCB-UHFFFAOYSA-N -1 3 253.729 3.024 20 0 CGADHM C[C@H]1CCCCN1Cc1c(Cl)cccc1C(=O)[O-] ZINC000584785332 346714155 /nfs/dbraw/zinc/71/41/55/346714155.db2.gz HAYPGCXQQZFCJK-JTQLQIEISA-N -1 3 267.756 3.413 20 0 CGADHM CCC(C)(C)C(=O)Nc1cc(Cl)cc(C(=O)OC)c1[O-] ZINC000588100127 346749684 /nfs/dbraw/zinc/74/96/84/346749684.db2.gz PTAJLCDYBKYGII-UHFFFAOYSA-N -1 3 299.754 3.207 20 0 CGADHM CC(=O)Nc1ccc(NCc2c(F)ccc([O-])c2F)cc1 ZINC000351838947 219222559 /nfs/dbraw/zinc/22/25/59/219222559.db2.gz LSCYBKZNKQLRNK-UHFFFAOYSA-N -1 3 292.285 3.241 20 0 CGADHM CCSC1(CNC(=O)c2cc([O-])ccc2Cl)CC1 ZINC000598328901 347643626 /nfs/dbraw/zinc/64/36/26/347643626.db2.gz OMMKLZBXYZGJRO-UHFFFAOYSA-N -1 3 285.796 3.061 20 0 CGADHM [O-]c1cccc(CN[C@H]2CC23CCCC3)c1Cl ZINC000339370996 215129100 /nfs/dbraw/zinc/12/91/00/215129100.db2.gz CVPFIWAKFLUFJK-LBPRGKRZSA-N -1 3 251.757 3.468 20 0 CGADHM C[C@@H](SCc1cc([O-])cc(C(F)(F)F)c1)[C@H](C)O ZINC000603316867 348070368 /nfs/dbraw/zinc/07/03/68/348070368.db2.gz CPQMZCIQFWKVMS-JGVFFNPUSA-N -1 3 280.311 3.414 20 0 CGADHM CC(C)(C)CC[C@H](CO)NCc1cccc([O-])c1Cl ZINC000339383796 215135645 /nfs/dbraw/zinc/13/56/45/215135645.db2.gz BYTSBDHJFYLTEE-GFCCVEGCSA-N -1 3 285.815 3.322 20 0 CGADHM O=S(=O)(CCCCF)[N-]c1csc2ccccc12 ZINC000295148567 199372638 /nfs/dbraw/zinc/37/26/38/199372638.db2.gz BGBCXUDKMQOIOV-UHFFFAOYSA-N -1 3 287.381 3.393 20 0 CGADHM CCCn1c(=O)[n-]nc1SCCc1ccc(C)cc1 ZINC000605445431 348155894 /nfs/dbraw/zinc/15/58/94/348155894.db2.gz QGWIOQYGEIYQIA-UHFFFAOYSA-N -1 3 277.393 3.037 20 0 CGADHM C[C@@H](C(=O)N=c1cc(-c2ccccc2)[n-][nH]1)c1cccs1 ZINC000606530727 348190269 /nfs/dbraw/zinc/19/02/69/348190269.db2.gz POEUQELMNRAUDX-LLVKDONJSA-N -1 3 297.383 3.302 20 0 CGADHM CC[C@H](NC(=O)NCc1ccc([O-])c(F)c1)C(C)(C)C ZINC000606681659 348196297 /nfs/dbraw/zinc/19/62/97/348196297.db2.gz LCGBWICFDUQRLD-ZDUSSCGKSA-N -1 3 282.359 3.155 20 0 CGADHM Cc1ccc([O-])c(C(=O)N[C@H]2C[C@H]2Cc2ccccc2)c1 ZINC000607575321 348248993 /nfs/dbraw/zinc/24/89/93/348248993.db2.gz HYRZTBZVMJGVEM-ZBFHGGJFSA-N -1 3 281.355 3.062 20 0 CGADHM CCCCN(C(=O)Cc1cncc([O-])c1)c1ccccc1 ZINC000612056316 348488639 /nfs/dbraw/zinc/48/86/39/348488639.db2.gz HHNMJSWJALVHFK-UHFFFAOYSA-N -1 3 284.359 3.163 20 0 CGADHM CC(C)(CC(F)(F)F)C(=O)Nc1ccc([O-])cc1F ZINC000613332894 348591677 /nfs/dbraw/zinc/59/16/77/348591677.db2.gz ZCPUJQNRGPTLNY-UHFFFAOYSA-N -1 3 279.233 3.448 20 0 CGADHM C[C@@H](CC(=O)Nc1nnc(-c2ccco2)[n-]1)CC(C)(C)C ZINC000613341422 348591842 /nfs/dbraw/zinc/59/18/42/348591842.db2.gz LYDTYFOPSVUYKC-JTQLQIEISA-N -1 3 290.367 3.466 20 0 CGADHM C[C@@H](CC(=O)Nc1nc(-c2ccco2)n[n-]1)CC(C)(C)C ZINC000613341422 348591843 /nfs/dbraw/zinc/59/18/43/348591843.db2.gz LYDTYFOPSVUYKC-JTQLQIEISA-N -1 3 290.367 3.466 20 0 CGADHM C[C@@H](CC(=O)Nc1n[n-]c(-c2ccco2)n1)CC(C)(C)C ZINC000613341422 348591846 /nfs/dbraw/zinc/59/18/46/348591846.db2.gz LYDTYFOPSVUYKC-JTQLQIEISA-N -1 3 290.367 3.466 20 0 CGADHM CCCN(CC(=O)OC(C)(C)C)Cc1cc([O-])cc(F)c1 ZINC000351982442 219274747 /nfs/dbraw/zinc/27/47/47/219274747.db2.gz OLZXNQJXWPYKGP-UHFFFAOYSA-N -1 3 297.370 3.085 20 0 CGADHM CSc1ccc([O-])c(C(=O)NC[C@H]2CCCCS2)c1 ZINC000613431806 348602860 /nfs/dbraw/zinc/60/28/60/348602860.db2.gz FWMSXEALKHPNAA-LLVKDONJSA-N -1 3 297.445 3.130 20 0 CGADHM O=C([C@@H]1CCC[C@@H]2C[C@@H]21)N1CCCc2cccc([O-])c21 ZINC000613161059 348569628 /nfs/dbraw/zinc/56/96/28/348569628.db2.gz UEBSBUKZJWXGCO-MCIONIFRSA-N -1 3 271.360 3.108 20 0 CGADHM CSc1ccc([O-])c(C(=O)N2CCS[C@@H](C)CC2)c1 ZINC000613986089 348644735 /nfs/dbraw/zinc/64/47/35/348644735.db2.gz LLILLJONKHWKOC-JTQLQIEISA-N -1 3 297.445 3.082 20 0 CGADHM CSc1ccc([O-])c(C(=O)NC2(C3(C)CC3)CC2)c1 ZINC000616001102 348780974 /nfs/dbraw/zinc/78/09/74/348780974.db2.gz PVRWXUNNLXKXNO-UHFFFAOYSA-N -1 3 277.389 3.177 20 0 CGADHM CC1(C)CC(CC(=O)NCc2ccc([O-])c3ncccc23)C1 ZINC000616022099 348782587 /nfs/dbraw/zinc/78/25/87/348782587.db2.gz CELHTABDJTUKLS-UHFFFAOYSA-N -1 3 298.386 3.383 20 0 CGADHM CC(=O)c1ccc(C(=O)NC2(C3CCC3)CCC2)cc1[O-] ZINC000616237031 348801551 /nfs/dbraw/zinc/80/15/51/348801551.db2.gz NTGYBUYIZASBJH-UHFFFAOYSA-N -1 3 287.359 3.047 20 0 CGADHM CCc1ccc(C(=O)NC(C)(C)C(F)(F)F)c([O-])c1 ZINC000616203372 348798194 /nfs/dbraw/zinc/79/81/94/348798194.db2.gz VPTDLHFECNNQSZ-UHFFFAOYSA-N -1 3 275.270 3.025 20 0 CGADHM Cc1cccc(OCCN(C)Cc2cc([O-])cc(F)c2)c1 ZINC000351988974 219279996 /nfs/dbraw/zinc/27/99/96/219279996.db2.gz OJZHTMVNLISHRF-UHFFFAOYSA-N -1 3 289.350 3.351 20 0 CGADHM [O-]c1cc(F)cc(CN2CC[C@@H]2Cc2ccccc2)c1 ZINC000351998246 219281493 /nfs/dbraw/zinc/28/14/93/219281493.db2.gz YVVGNXDWUZUAPG-MRXNPFEDSA-N -1 3 271.335 3.348 20 0 CGADHM CCCN(C(=O)c1cc(SC)ccc1[O-])C(C)C ZINC000616695547 348869323 /nfs/dbraw/zinc/86/93/23/348869323.db2.gz FTXPHGZHJIPZAS-UHFFFAOYSA-N -1 3 267.394 3.375 20 0 CGADHM Cc1cc(C(=O)Nc2cncc3c2CCCC3)ccc1[O-] ZINC000617101126 348918432 /nfs/dbraw/zinc/91/84/32/348918432.db2.gz SRTYRQOVNFEJRX-UHFFFAOYSA-N -1 3 282.343 3.227 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-]C(C)(C)CC(C)(C)C)o1 ZINC000358466310 233137808 /nfs/dbraw/zinc/13/78/08/233137808.db2.gz WCCUBPCYZREPDQ-UHFFFAOYSA-N -1 3 273.398 3.081 20 0 CGADHM Cc1cc(C)c(-c2cc(=NC(=O)CC(C)C)[nH][n-]2)cc1C ZINC000617357307 348951835 /nfs/dbraw/zinc/95/18/35/348951835.db2.gz HRSKHNLERUANOJ-UHFFFAOYSA-N -1 3 285.391 3.408 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-][C@H](C)c2ccc(F)c(C)c2)o1 ZINC000358590813 233162334 /nfs/dbraw/zinc/16/23/34/233162334.db2.gz LSTXFNGMDJKNTF-LLVKDONJSA-N -1 3 297.351 3.075 20 0 CGADHM Cc1cc(C(=O)N[C@@H]2Cc3ccccc3[C@@H]2C)ccc1[O-] ZINC000618056346 349045128 /nfs/dbraw/zinc/04/51/28/349045128.db2.gz GKQKSQBXYUBRHW-BLLLJJGKSA-N -1 3 281.355 3.159 20 0 CGADHM CCc1ccc(C(=O)N2CCC[C@@H](CCF)C2)c([O-])c1 ZINC000618696821 349146732 /nfs/dbraw/zinc/14/67/32/349146732.db2.gz IGCXDRRAUANBDY-ZDUSSCGKSA-N -1 3 279.355 3.166 20 0 CGADHM O=[S@@](c1cccc([O-])c1)[C@H]1CCc2ccccc21 ZINC000618631645 349130644 /nfs/dbraw/zinc/13/06/44/349130644.db2.gz URNFOTLDPTXUNX-YJBOKZPZSA-N -1 3 258.342 3.187 20 0 CGADHM COc1ccccc1C=Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000352021012 219291930 /nfs/dbraw/zinc/29/19/30/219291930.db2.gz LLVZCMVYXLKZIU-CMDGGOBGSA-N -1 3 268.316 3.239 20 0 CGADHM COc1ccc(C=Cc2nc(C)cc(=O)[n-]2)c(Cl)c1 ZINC000352034727 219297357 /nfs/dbraw/zinc/29/73/57/219297357.db2.gz GTXUYAVOELKMJN-XQRVVYSFSA-N -1 3 276.723 3.323 20 0 CGADHM COc1ccc2oc(C=Cc3nc(C)cc(=O)[n-]3)cc2c1 ZINC000352039154 219298415 /nfs/dbraw/zinc/29/84/15/219298415.db2.gz CRDNHBGWWVNGIF-GQCTYLIASA-N -1 3 282.299 3.416 20 0 CGADHM C[C@H](NC(=O)c1ccccc1[O-])C1CCC(F)CC1 ZINC000619961270 349298748 /nfs/dbraw/zinc/29/87/48/349298748.db2.gz AGXKWCRZBJTJIO-UNXYVOJBSA-N -1 3 265.328 3.039 20 0 CGADHM Cc1cccc([O-])c1C(=O)N[C@H](C)Cc1ccsc1 ZINC000624519465 350057064 /nfs/dbraw/zinc/05/70/64/350057064.db2.gz HLNOCAPEQMTUEL-LLVKDONJSA-N -1 3 275.373 3.123 20 0 CGADHM CCCN(CC(F)(F)F)C(=O)c1c(C)cccc1[O-] ZINC000624859653 350112472 /nfs/dbraw/zinc/11/24/72/350112472.db2.gz GPNPCRFKTVCCOH-UHFFFAOYSA-N -1 3 275.270 3.115 20 0 CGADHM CC[C@H]1CO[C@H](C)CN1Cc1cc([O-])ccc1Cl ZINC000625081235 350126084 /nfs/dbraw/zinc/12/60/84/350126084.db2.gz MLOOTJAIRMYHEB-PWSUYJOCSA-N -1 3 269.772 3.045 20 0 CGADHM Cc1cccc([O-])c1C(=O)Nc1ccnn1[C@@H](C)C1CC1 ZINC000625140706 350132819 /nfs/dbraw/zinc/13/28/19/350132819.db2.gz AEZJZYLPZPTCKC-NSHDSACASA-N -1 3 285.347 3.120 20 0 CGADHM C[C@H]1CCN(Cc2cc([O-])ccc2Cl)C[C@@H]1F ZINC000625313468 350157271 /nfs/dbraw/zinc/15/72/71/350157271.db2.gz JZEFOWJZZDUKOY-ZANVPECISA-N -1 3 257.736 3.226 20 0 CGADHM CCC[C@@]1(CO)CCN(Cc2cc([O-])ccc2Cl)C1 ZINC000625432646 350170521 /nfs/dbraw/zinc/17/05/21/350170521.db2.gz POLYWDGQOSDZME-OAHLLOKOSA-N -1 3 283.799 3.030 20 0 CGADHM COC(C)(C)c1noc(-c2cc3c(cc2[O-])CCCC3)n1 ZINC000273487283 192172314 /nfs/dbraw/zinc/17/23/14/192172314.db2.gz VBNAHSNSPRPQTO-UHFFFAOYSA-N -1 3 288.347 3.203 20 0 CGADHM CC(C)O[C@@H]1CCN(Cc2cc([O-])ccc2Cl)C1 ZINC000625506235 350178776 /nfs/dbraw/zinc/17/87/76/350178776.db2.gz ZMWXYUXFTJTETJ-CYBMUJFWSA-N -1 3 269.772 3.045 20 0 CGADHM [O-]c1ccc(F)c(CNCCc2ccsc2)c1F ZINC000352086684 219314746 /nfs/dbraw/zinc/31/47/46/219314746.db2.gz HAROCPSMGROAGN-UHFFFAOYSA-N -1 3 269.316 3.064 20 0 CGADHM C[C@@H](NCc1cc([O-])ccc1Cl)c1cscn1 ZINC000625534770 350182299 /nfs/dbraw/zinc/18/22/99/350182299.db2.gz BUQZFXMDPGKIJD-MRVPVSSYSA-N -1 3 268.769 3.353 20 0 CGADHM C[C@@H]1CN(C/C=C/c2ccc(F)cc2F)CC[C@H]1C(=O)[O-] ZINC000625970560 350237639 /nfs/dbraw/zinc/23/76/39/350237639.db2.gz UNXVWMIDLOPCQS-OIUHTZQUSA-N -1 3 295.329 3.021 20 0 CGADHM Cc1cccc([O-])c1C(=O)NCC(C)(C)[C@H]1CCCCO1 ZINC000626085018 350257417 /nfs/dbraw/zinc/25/74/17/350257417.db2.gz XQWIORUVLOEKQK-CQSZACIVSA-N -1 3 291.391 3.026 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1C[C@H](C)C[C@@H](C)[C@H]1C ZINC000626631214 350325626 /nfs/dbraw/zinc/32/56/26/350325626.db2.gz UVCIYFSBGOLSTQ-RAIGVLPGSA-N -1 3 261.365 3.207 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CC[C@H](C(F)(F)F)[C@H]1C ZINC000626726892 350335014 /nfs/dbraw/zinc/33/50/14/350335014.db2.gz LZVIYOHIXYLPTR-ZJUUUORDSA-N -1 3 287.281 3.114 20 0 CGADHM Cc1ccc(C(=O)N2C[C@@H](C)C(F)(F)[C@H](C)C2)c([O-])c1 ZINC000628396444 350525950 /nfs/dbraw/zinc/52/59/50/350525950.db2.gz IVWOVUUHLFNAGC-GHMZBOCLSA-N -1 3 283.318 3.064 20 0 CGADHM C[C@H]1CN(CCc2ccccc2C(=O)[O-])C[C@H](C)C1(F)F ZINC000629364255 350678130 /nfs/dbraw/zinc/67/81/30/350678130.db2.gz KYGUTHYGSKWXBV-RYUDHWBXSA-N -1 3 297.345 3.150 20 0 CGADHM Cc1oc(C(=O)[O-])cc1CN1C[C@H](C)C(F)(F)[C@@H](C)C1 ZINC000629363587 350678422 /nfs/dbraw/zinc/67/84/22/350678422.db2.gz GFCPQTRYCHXXDE-IUCAKERBSA-N -1 3 287.306 3.009 20 0 CGADHM O=C([O-])[C@H](c1ccc(F)cc1)N1CCCC(F)(F)CC1 ZINC000629368074 350679653 /nfs/dbraw/zinc/67/96/53/350679653.db2.gz IUQQQCBZDGRJEW-LBPRGKRZSA-N -1 3 287.281 3.073 20 0 CGADHM CCc1ccc(C(=O)N2C[C@@H]3CCCC[C@@]32C)c([O-])c1 ZINC000629618611 350720498 /nfs/dbraw/zinc/72/04/98/350720498.db2.gz PPKXWGXYRIUDPI-GUYCJALGSA-N -1 3 273.376 3.359 20 0 CGADHM Cc1cccc(C(=O)N2CCCC3(CC3)CC2)c1[O-] ZINC000629654503 350731374 /nfs/dbraw/zinc/73/13/74/350731374.db2.gz QASWGVLJUGHQHD-UHFFFAOYSA-N -1 3 259.349 3.107 20 0 CGADHM O=C(NC[C@@H]1CCCC12CC2)c1cc([O-])ccc1Cl ZINC000629832381 350771668 /nfs/dbraw/zinc/77/16/68/350771668.db2.gz YRJLEBPRRUIKBJ-JTQLQIEISA-N -1 3 279.767 3.356 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)C2CC3(CC3)C2)c1-c1ccc(C)cc1 ZINC000630021745 350798698 /nfs/dbraw/zinc/79/86/98/350798698.db2.gz NQICMUYLKHMNSY-UHFFFAOYSA-N -1 3 295.386 3.244 20 0 CGADHM O=C(N[C@]12C[C@H]1CCCC2)c1cc([O-])ccc1Cl ZINC000634089919 351438261 /nfs/dbraw/zinc/43/82/61/351438261.db2.gz MFWHMUNWEZQVHJ-YMTOWFKASA-N -1 3 265.740 3.108 20 0 CGADHM O=C(c1ccc2n[n-]nc2c1)N1CCC[C@H](C2CCC2)CC1 ZINC000634521561 351503380 /nfs/dbraw/zinc/50/33/80/351503380.db2.gz OGGXBUDZPRDVQF-ZDUSSCGKSA-N -1 3 298.390 3.000 20 0 CGADHM Cc1ccc(COc2ccc3c([O-])coc3c2C)c(C)n1 ZINC000634560606 351514662 /nfs/dbraw/zinc/51/46/62/351514662.db2.gz PTKKRKZXYQIGID-UHFFFAOYSA-N -1 3 283.327 3.161 20 0 CGADHM Cc1ccc(CCC(=O)[N-]OC/C=C/Cl)c(C)c1 ZINC000291435014 198020765 /nfs/dbraw/zinc/02/07/65/198020765.db2.gz ARRCWGRQDHDLOM-FPYGCLRLSA-N -1 3 267.756 3.036 20 0 CGADHM Cc1[n-]n([C@H]2CCc3c2cccc3F)c(=O)c1C1CC1 ZINC000634632505 351553699 /nfs/dbraw/zinc/55/36/99/351553699.db2.gz SRDGAXPGZRXOTQ-GJZGRUSLSA-N -1 3 272.323 3.057 20 0 CGADHM Cc1nc(C)c([N-]C(=O)c2ocnc2C(F)(F)F)s1 ZINC000635658278 351680424 /nfs/dbraw/zinc/68/04/24/351680424.db2.gz FJNJHTAFYAKSDS-UHFFFAOYSA-N -1 3 291.254 3.019 20 0 CGADHM O=C(Nc1ccc(Cl)cc1[O-])[C@H]1CCN1C1CCCC1 ZINC000635738873 351687679 /nfs/dbraw/zinc/68/76/79/351687679.db2.gz GGGMTSIHIPPZLD-CYBMUJFWSA-N -1 3 294.782 3.001 20 0 CGADHM Cc1cccc([O-])c1NC(=O)[C@H](CC(C)C)n1ccnc1 ZINC000635760539 351688943 /nfs/dbraw/zinc/68/89/43/351688943.db2.gz TZAUIDDPQGBADI-ZDUSSCGKSA-N -1 3 287.363 3.123 20 0 CGADHM C[C@]1(C2CCCCC2)CCN1C(=O)c1ccc2n[n-]nc2c1 ZINC000636387855 351749244 /nfs/dbraw/zinc/74/92/44/351749244.db2.gz NXWNWRHPLJYTCV-QGZVFWFLSA-N -1 3 298.390 3.143 20 0 CGADHM CCOc1cccc(NC(=O)[N-]OC[C@@H](C)CC)c1 ZINC000291668891 198056913 /nfs/dbraw/zinc/05/69/13/198056913.db2.gz BCSJFZWYMVMKHL-NSHDSACASA-N -1 3 266.341 3.185 20 0 CGADHM O=C(Nc1ncccc1[O-])[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000044948978 137897342 /nfs/dbraw/zinc/89/73/42/137897342.db2.gz XQXXRVFHJAGAPA-RKDXNWHRSA-N -1 3 288.269 3.094 20 0 CGADHM C[C@H](CN(C)C(=O)c1ccc2[nH][n-]c(=O)c2c1)C(C)(C)C ZINC000636429514 351755468 /nfs/dbraw/zinc/75/54/68/351755468.db2.gz JABNOMLFEHKBIO-SNVBAGLBSA-N -1 3 289.379 3.023 20 0 CGADHM CC[C@H](C)CON=C([O-])Nc1cccc(Cl)c1OC ZINC000291711468 198067091 /nfs/dbraw/zinc/06/70/91/198067091.db2.gz GIOXQHIARGFUNV-VIFPVBQESA-N -1 3 286.759 3.448 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)Nc1cccc(Cl)c1OC ZINC000291711468 198067093 /nfs/dbraw/zinc/06/70/93/198067093.db2.gz GIOXQHIARGFUNV-VIFPVBQESA-N -1 3 286.759 3.448 20 0 CGADHM Cc1ccc(NC(=O)[N-]OCCC(F)(F)F)cc1 ZINC000122431315 187031957 /nfs/dbraw/zinc/03/19/57/187031957.db2.gz XHTZXYALXQICMH-UHFFFAOYSA-N -1 3 262.231 3.001 20 0 CGADHM CC[C@@H](C)[C@@H](C)NC(=O)Cc1ccc([O-])cc1Cl ZINC000122946772 187061401 /nfs/dbraw/zinc/06/14/01/187061401.db2.gz QXWQOVYTDKDFRQ-NXEZZACHSA-N -1 3 269.772 3.139 20 0 CGADHM CC(C)CO[N-]C(=O)Nc1ccccc1C(F)(F)F ZINC000123381575 187088545 /nfs/dbraw/zinc/08/85/45/187088545.db2.gz WCZDKEIYMMDUFR-UHFFFAOYSA-N -1 3 276.258 3.415 20 0 CGADHM CCc1cc(C(=O)NCCCC(C)(C)COC)ccc1[O-] ZINC000292014950 198135583 /nfs/dbraw/zinc/13/55/83/198135583.db2.gz ZTSSVLFTTPJPOX-UHFFFAOYSA-N -1 3 293.407 3.137 20 0 CGADHM CCCc1csc(NC([O-])=NOCCC(F)(F)F)n1 ZINC000157739139 188335914 /nfs/dbraw/zinc/33/59/14/188335914.db2.gz JWUFFKYRNQPOJM-UHFFFAOYSA-N -1 3 297.302 3.101 20 0 CGADHM CCCc1csc(NC(=O)[N-]OCCC(F)(F)F)n1 ZINC000157739139 188335915 /nfs/dbraw/zinc/33/59/15/188335915.db2.gz JWUFFKYRNQPOJM-UHFFFAOYSA-N -1 3 297.302 3.101 20 0 CGADHM CSc1ccccc1NC(=O)[N-]OCC(C)C ZINC000158231300 188364742 /nfs/dbraw/zinc/36/47/42/188364742.db2.gz OBWRASOROSWKCV-UHFFFAOYSA-N -1 3 254.355 3.118 20 0 CGADHM [O-]C(=NOC1CCCC1)Nc1ccc(Br)cc1 ZINC000271786857 191325843 /nfs/dbraw/zinc/32/58/43/191325843.db2.gz JCROCGUGSAEXOT-UHFFFAOYSA-N -1 3 299.168 3.445 20 0 CGADHM O=C([N-]OC1CCCC1)Nc1ccc(Br)cc1 ZINC000271786857 191325846 /nfs/dbraw/zinc/32/58/46/191325846.db2.gz JCROCGUGSAEXOT-UHFFFAOYSA-N -1 3 299.168 3.445 20 0 CGADHM O=c1cc(COc2ccc(Cl)cc2)nc(C2CC2)[n-]1 ZINC000412975643 235233656 /nfs/dbraw/zinc/23/36/56/235233656.db2.gz GHHIXYVGLKEGAY-UHFFFAOYSA-N -1 3 276.723 3.292 20 0 CGADHM O=c1cc(COc2c(F)cccc2Cl)nc(C2CC2)[n-]1 ZINC000413005184 235240732 /nfs/dbraw/zinc/24/07/32/235240732.db2.gz YSANSPKFAUGGKV-UHFFFAOYSA-N -1 3 294.713 3.431 20 0 CGADHM CC[C@@H]1C[C@@H](Cc2nc(-c3ccc([O-])cc3)no2)CCO1 ZINC000272757310 191902735 /nfs/dbraw/zinc/90/27/35/191902735.db2.gz OXJQUOCBYCTRQV-SMDDNHRTSA-N -1 3 288.347 3.190 20 0 CGADHM CCO[N-]C(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000273710110 192272692 /nfs/dbraw/zinc/27/26/92/192272692.db2.gz ODHVTRHNXFLUAB-UHFFFAOYSA-N -1 3 295.339 3.107 20 0 CGADHM Cc1csc(C(=O)Nc2ccc([O-])cc2F)c1 ZINC000336344228 213191996 /nfs/dbraw/zinc/19/19/96/213191996.db2.gz DAOAWWQNNMZLGW-UHFFFAOYSA-N -1 3 251.282 3.154 20 0 CGADHM COc1cccc([C@@H]2CCCN2C(=O)c2ccccc2[O-])c1 ZINC000123715648 138369192 /nfs/dbraw/zinc/36/91/92/138369192.db2.gz YBMUJIQDCSDFNC-INIZCTEOSA-N -1 3 297.354 3.378 20 0 CGADHM O=C(Cc1ccc(Cl)cc1Cl)Nc1ccncc1[O-] ZINC000109889943 138362168 /nfs/dbraw/zinc/36/21/68/138362168.db2.gz KEHXRHKDKWRKKI-UHFFFAOYSA-N -1 3 297.141 3.275 20 0 CGADHM Cc1n[nH]c(C)c1[C@@H](C)CC(=O)Nc1ccc([O-])cc1F ZINC000124309168 138374351 /nfs/dbraw/zinc/37/43/51/138374351.db2.gz NXBCLWHMUGKHCL-QMMMGPOBSA-N -1 3 291.326 3.004 20 0 CGADHM CC(=O)[C@@H](C)CCCCC(=O)Nc1ccc([O-])cc1F ZINC000124644520 138377081 /nfs/dbraw/zinc/37/70/81/138377081.db2.gz KTWYRHJUTKOFFN-JTQLQIEISA-N -1 3 281.327 3.255 20 0 CGADHM CC[C@@H](C)[C@@H](CNCc1cccc([O-])c1Cl)OC ZINC000294346382 199007039 /nfs/dbraw/zinc/00/70/39/199007039.db2.gz YUTYEIASYWTQRN-ZWNOBZJWSA-N -1 3 271.788 3.196 20 0 CGADHM Cc1ccc([C@@H]([N-]C(=O)C(C)(F)F)c2ccccn2)cc1 ZINC000294374811 199015421 /nfs/dbraw/zinc/01/54/21/199015421.db2.gz UOJDDKUIVZACBS-CQSZACIVSA-N -1 3 290.313 3.251 20 0 CGADHM O=C([O-])C1CCC(NCc2ccsc2Cl)CC1 ZINC000262718762 138563632 /nfs/dbraw/zinc/56/36/32/138563632.db2.gz UESADMDMXVESDU-UHFFFAOYSA-N -1 3 273.785 3.135 20 0 CGADHM CC[C@@H](c1ccccc1)N(CC)C(=O)c1cc(C)nc(=O)[n-]1 ZINC000268846500 138575885 /nfs/dbraw/zinc/57/58/85/138575885.db2.gz NEPFASNWVSSDLW-HNNXBMFYSA-N -1 3 299.374 3.104 20 0 CGADHM O=C(c1cc([O-])ccc1Cl)N1CCC(C(F)F)CC1 ZINC000307882643 138579655 /nfs/dbraw/zinc/57/96/55/138579655.db2.gz MESLNUXMVWMVDT-UHFFFAOYSA-N -1 3 289.709 3.163 20 0 CGADHM O=C(Nc1ccc2c(c1)COC2)c1cc([O-])ccc1Cl ZINC000312840148 138587016 /nfs/dbraw/zinc/58/70/16/138587016.db2.gz VBOHBZPRKZWQLF-UHFFFAOYSA-N -1 3 289.718 3.328 20 0 CGADHM Cc1ccc([O-])c(C(=O)N(C)Cc2ccc(F)c(C)c2)c1 ZINC000436081051 237024588 /nfs/dbraw/zinc/02/45/88/237024588.db2.gz WTGBMTAFQXDVOA-UHFFFAOYSA-N -1 3 287.334 3.420 20 0 CGADHM Cc1ccc(C[C@H](C)NC(=O)c2c([O-])cccc2O)c(C)c1 ZINC000436645632 237149786 /nfs/dbraw/zinc/14/97/86/237149786.db2.gz BZCHSZSAMYMHTC-ZDUSSCGKSA-N -1 3 299.370 3.076 20 0 CGADHM CC[C@H](C)CON=C([O-])Nc1cncc(Cl)c1C ZINC000296848108 200014972 /nfs/dbraw/zinc/01/49/72/200014972.db2.gz FLBDLKJMUIUQPW-QMMMGPOBSA-N -1 3 271.748 3.143 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)Nc1cncc(Cl)c1C ZINC000296848108 200014973 /nfs/dbraw/zinc/01/49/73/200014973.db2.gz FLBDLKJMUIUQPW-QMMMGPOBSA-N -1 3 271.748 3.143 20 0 CGADHM Cc1cc(NC([O-])=NOC(C)C)c(Cl)cc1F ZINC000296858351 200016883 /nfs/dbraw/zinc/01/68/83/200016883.db2.gz BEVGEMKNYZGUIW-UHFFFAOYSA-N -1 3 260.696 3.249 20 0 CGADHM Cc1cc(NC(=O)[N-]OC(C)C)c(Cl)cc1F ZINC000296858351 200016885 /nfs/dbraw/zinc/01/68/85/200016885.db2.gz BEVGEMKNYZGUIW-UHFFFAOYSA-N -1 3 260.696 3.249 20 0 CGADHM Cc1ccc(C(=O)N[C@@H]2CCc3ccccc32)c([O-])c1C ZINC000436688649 237156885 /nfs/dbraw/zinc/15/68/85/237156885.db2.gz MBIMIJRKRYORLB-MRXNPFEDSA-N -1 3 281.355 3.426 20 0 CGADHM Cc1ccc(C(=O)NCCOC2CCCCCC2)c([O-])c1 ZINC000436824044 237186970 /nfs/dbraw/zinc/18/69/70/237186970.db2.gz FITKQJWGOKWLAR-UHFFFAOYSA-N -1 3 291.391 3.170 20 0 CGADHM O=C(c1ccccc1[O-])N(Cc1ccccc1)CC(F)F ZINC000436719205 237165958 /nfs/dbraw/zinc/16/59/58/237165958.db2.gz OUGZPLZSJBENPE-UHFFFAOYSA-N -1 3 291.297 3.300 20 0 CGADHM Cc1ccc(C(=O)NCCO[C@@H]2CCCC[C@H]2C)c([O-])c1 ZINC000436730529 237171268 /nfs/dbraw/zinc/17/12/68/237171268.db2.gz HAAGKTJJLKBONF-CZUORRHYSA-N -1 3 291.391 3.026 20 0 CGADHM C[C@@H](NC(=O)c1ccccc1[O-])[C@@H](C)c1ccccc1 ZINC000436728399 237171535 /nfs/dbraw/zinc/17/15/35/237171535.db2.gz LEOVJVMMTRPKMN-CHWSQXEVSA-N -1 3 269.344 3.314 20 0 CGADHM Cc1cccc(C)c1[C@H](C)NC(=O)c1ccc(O)cc1[O-] ZINC000436983095 237224358 /nfs/dbraw/zinc/22/43/58/237224358.db2.gz CCTPCLUTIQNHOL-LBPRGKRZSA-N -1 3 285.343 3.206 20 0 CGADHM O=C(CCc1ccsc1)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000341655610 216052081 /nfs/dbraw/zinc/05/20/81/216052081.db2.gz ICVDPBASVAZLBT-UHFFFAOYSA-N -1 3 297.383 3.131 20 0 CGADHM O=C([C@@H]1CCCCC1(F)F)N1CCCc2cccc([O-])c21 ZINC000296678110 296008374 /nfs/dbraw/zinc/00/83/74/296008374.db2.gz AUXVAWMYXLHMCZ-LBPRGKRZSA-N -1 3 295.329 3.497 20 0 CGADHM CCc1cc(=O)[n-]c(CN2CCC=C(c3ccccc3)C2)n1 ZINC000341984904 216176352 /nfs/dbraw/zinc/17/63/52/216176352.db2.gz HPCFFHIOEUGGJX-UHFFFAOYSA-N -1 3 295.386 3.034 20 0 CGADHM CCN(CCCCC(=O)[O-])Cc1ccc(Cl)s1 ZINC000181539712 189299503 /nfs/dbraw/zinc/29/95/03/189299503.db2.gz QTSZUGUVHHMVEY-UHFFFAOYSA-N -1 3 275.801 3.478 20 0 CGADHM [O-]c1cc(F)cc(CNCc2cccc3cc[nH]c32)c1 ZINC000342309750 216302622 /nfs/dbraw/zinc/30/26/22/216302622.db2.gz ZKNIMQBCEUBRSI-UHFFFAOYSA-N -1 3 270.307 3.302 20 0 CGADHM CCCCCN(CCCOC)C(=O)c1ccccc1[O-] ZINC000182364270 189321847 /nfs/dbraw/zinc/32/18/47/189321847.db2.gz CSRBIOHUBBKURU-UHFFFAOYSA-N -1 3 279.380 3.061 20 0 CGADHM C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)c1cccc([O-])c1 ZINC000182452808 189324283 /nfs/dbraw/zinc/32/42/83/189324283.db2.gz PISZQQFZOWEMGP-CJNGLKHVSA-N -1 3 281.355 3.410 20 0 CGADHM Cc1c(C(=O)Nc2c(C)cccc2[O-])cnn1CC(C)C ZINC000183055472 189344294 /nfs/dbraw/zinc/34/42/94/189344294.db2.gz BOXAHYOVORSACL-UHFFFAOYSA-N -1 3 287.363 3.114 20 0 CGADHM CCc1cc(C(=O)N2CCC[C@H]2C2CCC2)ccc1[O-] ZINC000342405285 216340178 /nfs/dbraw/zinc/34/01/78/216340178.db2.gz ALRVZLFYXCJKDX-HNNXBMFYSA-N -1 3 273.376 3.359 20 0 CGADHM [O-]c1ccc(CNCc2ccnn2C2CCCC2)cc1F ZINC000449163024 239215404 /nfs/dbraw/zinc/21/54/04/239215404.db2.gz LCYMVHBOJAAWNS-UHFFFAOYSA-N -1 3 289.354 3.133 20 0 CGADHM CC(C)Cc1nnc([N-]C(=O)c2cccc(Cl)n2)s1 ZINC000120347291 370760351 /nfs/dbraw/zinc/76/03/51/370760351.db2.gz ARNOZAXREOAPNQ-UHFFFAOYSA-N -1 3 296.783 3.037 20 0 CGADHM Cc1csc(S(=O)(=O)[N-]C2(c3ccccc3)CC2)c1 ZINC000451161627 240232899 /nfs/dbraw/zinc/23/28/99/240232899.db2.gz ZDACWWUESWYLLJ-UHFFFAOYSA-N -1 3 293.413 3.024 20 0 CGADHM Cc1csc(S(=O)(=O)[N-][C@H]2CCC23CCCC3)c1 ZINC000451465577 240307494 /nfs/dbraw/zinc/30/74/94/240307494.db2.gz MZWSUOPXQZMRFI-NSHDSACASA-N -1 3 285.434 3.058 20 0 CGADHM Cc1csc(S(=O)(=O)[N-]C2CCC3(CC3)CC2)c1 ZINC000451469738 240307723 /nfs/dbraw/zinc/30/77/23/240307723.db2.gz XFYNCVODJBGRPB-UHFFFAOYSA-N -1 3 285.434 3.058 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)N[C@H]1C[C@H](c2ccccc2)C1 ZINC000451403236 240293712 /nfs/dbraw/zinc/29/37/12/240293712.db2.gz YPAXVBQZWNWYRL-SHTZXODSSA-N -1 3 299.345 3.136 20 0 CGADHM Cc1csc(S(=O)(=O)[N-]C(C)(C)C(C)(C)C)c1 ZINC000451579951 240331841 /nfs/dbraw/zinc/33/18/41/240331841.db2.gz LUFGCMVHWQNDRK-UHFFFAOYSA-N -1 3 275.439 3.160 20 0 CGADHM CC(C)(C)C1CC(NC(=O)Cc2ccc([O-])c(F)c2)C1 ZINC000452150631 240429058 /nfs/dbraw/zinc/42/90/58/240429058.db2.gz MZBQCVPYAZFOFN-UHFFFAOYSA-N -1 3 279.355 3.015 20 0 CGADHM CC[C@H]1CCC[C@H]1CNC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000456046294 241352769 /nfs/dbraw/zinc/35/27/69/241352769.db2.gz PAPMXEYSBVPSGV-STQMWFEESA-N -1 3 298.386 3.084 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2C[C@H](C3CC3)[C@H]2C2CC2)c1 ZINC000456275489 241389560 /nfs/dbraw/zinc/38/95/60/241389560.db2.gz HDUUIKHYMOVDGK-NVXWUHKLSA-N -1 3 285.387 3.215 20 0 CGADHM COc1ccc(C(=O)N2C[C@@H](C(C)C)[C@H]2C(C)C)c([O-])c1 ZINC000456301158 241396421 /nfs/dbraw/zinc/39/64/21/241396421.db2.gz UIDQBOANDQZSLH-GOEBONIOSA-N -1 3 291.391 3.153 20 0 CGADHM Cc1ccc(NC(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000121441119 370861039 /nfs/dbraw/zinc/86/10/39/370861039.db2.gz DIFRRNHZAWWSLJ-UHFFFAOYSA-N -1 3 274.295 3.161 20 0 CGADHM CCOc1cc(CN[C@H](C)c2ccon2)cc(Cl)c1[O-] ZINC000459477820 242121005 /nfs/dbraw/zinc/12/10/05/242121005.db2.gz GDUJXVQPXVSPRJ-SECBINFHSA-N -1 3 296.754 3.283 20 0 CGADHM [O-]c1cccc(CN[C@H]2CCC[C@H]2F)c1Br ZINC000459583239 242137660 /nfs/dbraw/zinc/13/76/60/242137660.db2.gz FTBBAIUVHOVCDO-ZJUUUORDSA-N -1 3 288.160 3.135 20 0 CGADHM C[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000461816999 242315966 /nfs/dbraw/zinc/31/59/66/242315966.db2.gz AHRIDCYHMLEHMU-RKDXNWHRSA-N -1 3 293.841 3.116 20 0 CGADHM CC(C)C1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000477128097 243035551 /nfs/dbraw/zinc/03/55/51/243035551.db2.gz QKVXFBHEEMONPV-UHFFFAOYSA-N -1 3 287.450 3.241 20 0 CGADHM Cc1cccc(C(=O)N2CCC[C@H]2c2ccncc2)c1[O-] ZINC000121830335 370900000 /nfs/dbraw/zinc/90/00/00/370900000.db2.gz GQNFXGSZONCIJJ-HNNXBMFYSA-N -1 3 282.343 3.073 20 0 CGADHM C[C@H]1CCC[C@H](C(=O)Nc2ccc([O-])cc2F)C1 ZINC000121839398 370900972 /nfs/dbraw/zinc/90/09/72/370900972.db2.gz JEWGYFYOPKNNDW-UWVGGRQHSA-N -1 3 251.301 3.296 20 0 CGADHM CC(C)CCC[C@@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000013939242 368669533 /nfs/dbraw/zinc/66/95/33/368669533.db2.gz ZPASBPORVKATHK-LLVKDONJSA-N -1 3 275.439 3.241 20 0 CGADHM COc1cccc(C(=O)Nc2ccccc2Cl)c1[O-] ZINC000019839560 368771802 /nfs/dbraw/zinc/77/18/02/368771802.db2.gz BBYNREDFFZOZIQ-UHFFFAOYSA-N -1 3 277.707 3.307 20 0 CGADHM O=S(=O)([N-]CCC1CCCCC1)c1ccccc1F ZINC000037500690 369087074 /nfs/dbraw/zinc/08/70/74/369087074.db2.gz RJPLEDKQPBVAKH-UHFFFAOYSA-N -1 3 285.384 3.074 20 0 CGADHM O=C(/C=C\c1ccc(OC(F)F)cc1)[N-]OC1CCCC1 ZINC000492804643 244028684 /nfs/dbraw/zinc/02/86/84/244028684.db2.gz UILRQPHJHYFTGO-YFHOEESVSA-N -1 3 297.301 3.292 20 0 CGADHM O=C(/C=C\c1ccnc2ccccc12)[N-]OC/C=C\Cl ZINC000493197754 244116537 /nfs/dbraw/zinc/11/65/37/244116537.db2.gz YYNOSCUOFZXGGL-WPFODFAJSA-N -1 3 288.734 3.048 20 0 CGADHM CCc1ccc(C(=O)N([C@@H](C)C2CC2)C2CC2)c([O-])c1 ZINC000276057721 193200816 /nfs/dbraw/zinc/20/08/16/193200816.db2.gz KFLQZFHSSYCLTG-NSHDSACASA-N -1 3 273.376 3.358 20 0 CGADHM COc1cccc(C(=O)N(C)[C@H]2CCC[C@H](C)C2)c1[O-] ZINC000042355393 369215810 /nfs/dbraw/zinc/21/58/10/369215810.db2.gz WRMPRAXZEOCTDR-RYUDHWBXSA-N -1 3 277.364 3.052 20 0 CGADHM CCc1ccc(C(=O)N(C)Cc2cccs2)c([O-])c1 ZINC000276079165 193206987 /nfs/dbraw/zinc/20/69/87/193206987.db2.gz HZRKKZZIBWTBQQ-UHFFFAOYSA-N -1 3 275.373 3.288 20 0 CGADHM CCCc1ccccc1NC(=O)c1ccc2n[n-]nc2c1 ZINC000046395518 369292683 /nfs/dbraw/zinc/29/26/83/369292683.db2.gz LGTZHXPUJZGGAI-UHFFFAOYSA-N -1 3 280.331 3.163 20 0 CGADHM CCC1(CNC(=O)c2c[n-]c3ccccc3c2=O)CCCC1 ZINC000129184014 370977802 /nfs/dbraw/zinc/97/78/02/370977802.db2.gz JOMGEMAIPCINFA-UHFFFAOYSA-N -1 3 298.386 3.228 20 0 CGADHM CC(C)[C@@H]([N-]C(=O)C(F)(F)c1ccccc1)c1ncc[nH]1 ZINC000276540042 193373271 /nfs/dbraw/zinc/37/32/71/193373271.db2.gz FAYDKPFIXJVRBS-GFCCVEGCSA-N -1 3 293.317 3.015 20 0 CGADHM CC[C@H](C)[C@H](NCc1c(F)cccc1Cl)C(=O)[O-] ZINC000075424093 369907968 /nfs/dbraw/zinc/90/79/68/369907968.db2.gz NBXFSGZTZNUOGM-UFBFGSQYSA-N -1 3 273.735 3.068 20 0 CGADHM Cc1csc(C(C)(C)NC(=O)c2ccc(C)cc2[O-])n1 ZINC000116147182 370549917 /nfs/dbraw/zinc/54/99/17/370549917.db2.gz HMXSKBAJCHPRNE-UHFFFAOYSA-N -1 3 290.388 3.131 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)CCOC(C)C)c1[O-] ZINC000116980632 370576409 /nfs/dbraw/zinc/57/64/09/370576409.db2.gz SNHHXPIXQFQPLR-UHFFFAOYSA-N -1 3 271.744 3.108 20 0 CGADHM CC[C@@H]1CCCN(C(=O)c2c[n-]c3ccccc3c2=O)CC1 ZINC000117265219 370585841 /nfs/dbraw/zinc/58/58/41/370585841.db2.gz GJJAXLMLXNSFKS-CYBMUJFWSA-N -1 3 298.386 3.180 20 0 CGADHM Cc1ccc(NC(=O)CCn2ccnc2C(C)C)c([O-])c1 ZINC000118760504 370625327 /nfs/dbraw/zinc/62/53/27/370625327.db2.gz WNGVMIKRHMGVCY-UHFFFAOYSA-N -1 3 287.363 3.049 20 0 CGADHM CC(C)CO[N-]C(=O)Nc1ccc(-c2ncco2)cc1 ZINC000132947938 371215386 /nfs/dbraw/zinc/21/53/86/371215386.db2.gz VPJAHMWPVBFOLB-UHFFFAOYSA-N -1 3 275.308 3.051 20 0 CGADHM CCc1noc(C)c1[N-]C(=O)c1cc(C)c(F)cc1F ZINC000133225127 371237294 /nfs/dbraw/zinc/23/72/94/371237294.db2.gz DDRBROUCVXJKFV-UHFFFAOYSA-N -1 3 280.274 3.384 20 0 CGADHM CN(Cc1ccccc1)C(=O)Cc1ccc([O-])cc1Cl ZINC000136047804 371458336 /nfs/dbraw/zinc/45/83/36/371458336.db2.gz PBSWSMVPTUCCQF-UHFFFAOYSA-N -1 3 289.762 3.247 20 0 CGADHM O=C(Cc1ccc([O-])cc1Cl)NC1CCCCC1 ZINC000136049758 371459009 /nfs/dbraw/zinc/45/90/09/371459009.db2.gz CTKJLISPEKIWSL-UHFFFAOYSA-N -1 3 267.756 3.037 20 0 CGADHM Cc1ccc([C@@H](C)NC(=O)Cc2ccc([O-])cc2Cl)o1 ZINC000136102225 371460403 /nfs/dbraw/zinc/46/04/03/371460403.db2.gz FOTVBSCNAQRZCZ-SNVBAGLBSA-N -1 3 293.750 3.367 20 0 CGADHM CCc1ccc(NC([O-])=NOCCSC)cc1Cl ZINC000287722738 371698950 /nfs/dbraw/zinc/69/89/50/371698950.db2.gz ODZGJIKLLSGPNQ-UHFFFAOYSA-N -1 3 288.800 3.319 20 0 CGADHM CCc1ccc(NC(=O)[N-]OCCSC)cc1Cl ZINC000287722738 371698957 /nfs/dbraw/zinc/69/89/57/371698957.db2.gz ODZGJIKLLSGPNQ-UHFFFAOYSA-N -1 3 288.800 3.319 20 0 CGADHM C[C@H]1C[C@@H](C(=O)[O-])CN(CCc2ccc(F)cc2Cl)C1 ZINC000422639338 371755210 /nfs/dbraw/zinc/75/52/10/371755210.db2.gz WNEZVNDZSSMZPA-CMPLNLGQSA-N -1 3 299.773 3.064 20 0 CGADHM Cc1conc1[N-]C(=O)c1occc1COc1ccccc1 ZINC000154513983 371851788 /nfs/dbraw/zinc/85/17/88/371851788.db2.gz ADOWZVZUBMEHDO-UHFFFAOYSA-N -1 3 298.298 3.407 20 0 CGADHM O=C([O-])C[C@H](NCc1ccccc1)c1cccs1 ZINC000037088044 541861429 /nfs/dbraw/zinc/86/14/29/541861429.db2.gz QJLBORXQCPMPKC-LBPRGKRZSA-N -1 3 261.346 3.054 20 0 CGADHM CC[C@@H]1CN(Cc2cc(C(=O)[O-])sc2C)CCS1 ZINC000157715377 372034656 /nfs/dbraw/zinc/03/46/56/372034656.db2.gz LNUSUNYILUTSHU-LLVKDONJSA-N -1 3 285.434 3.082 20 0 CGADHM CC(C)c1cc(NCc2c(F)ccc([O-])c2F)no1 ZINC000290880522 372067908 /nfs/dbraw/zinc/06/79/08/372067908.db2.gz BVYCGMARMFROSD-UHFFFAOYSA-N -1 3 268.263 3.394 20 0 CGADHM Cc1c(Br)cccc1NC(=O)[N-]OCC1CC1 ZINC000292938566 372254983 /nfs/dbraw/zinc/25/49/83/372254983.db2.gz NDTSYCGVVQMFBT-UHFFFAOYSA-N -1 3 299.168 3.221 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)N(C)Cc2cccc(C)c2C)n1 ZINC000428721673 372256028 /nfs/dbraw/zinc/25/60/28/372256028.db2.gz UKJVJMBAWSMLBN-CQSZACIVSA-N -1 3 285.391 3.300 20 0 CGADHM CCc1cc(=O)[n-]c(CN([C@H](C)[C@@H](C)CC)C2CC2)n1 ZINC000344357215 217166157 /nfs/dbraw/zinc/16/61/57/217166157.db2.gz UTSTWOVWIFFUQI-NWDGAFQWSA-N -1 3 277.412 3.144 20 0 CGADHM CCc1nnsc1C(=O)[N-]c1nc2ccsc2s1 ZINC000344349346 217162786 /nfs/dbraw/zinc/16/27/86/217162786.db2.gz HKFIDDRHTXWZLI-UHFFFAOYSA-N -1 3 296.402 3.024 20 0 CGADHM Cc1ccc(C(=O)N2CC3(CCC3)[C@@H]2C(C)C)c([O-])c1 ZINC000293624295 372427469 /nfs/dbraw/zinc/42/74/69/372427469.db2.gz JHYNTUTZLVFFCS-HNNXBMFYSA-N -1 3 273.376 3.351 20 0 CGADHM COC(=O)c1ccc(C(=O)Nc2ccc(C(C)C)cc2)[n-]1 ZINC000431259166 372448671 /nfs/dbraw/zinc/44/86/71/372448671.db2.gz KMZDWCJYIHEUJF-UHFFFAOYSA-N -1 3 286.331 3.177 20 0 CGADHM Cc1cc(C)c2[n-]cc(C(=O)N3CC[C@H](C)[C@H]3C)c(=O)c2c1 ZINC000164472961 372519387 /nfs/dbraw/zinc/51/93/87/372519387.db2.gz XIFISAIUTLOGJJ-WCQYABFASA-N -1 3 298.386 3.428 20 0 CGADHM COc1cc(C(=O)N2CC3(CCC3)[C@@H]2C(C)C)ccc1[O-] ZINC000293993980 372549273 /nfs/dbraw/zinc/54/92/73/372549273.db2.gz YGHJDNZCTIMXMJ-HNNXBMFYSA-N -1 3 289.375 3.052 20 0 CGADHM CCOc1ccccc1CNCc1c(F)ccc([O-])c1F ZINC000294304982 372644634 /nfs/dbraw/zinc/64/46/34/372644634.db2.gz QCKYRFNAHGBXQP-UHFFFAOYSA-N -1 3 293.313 3.359 20 0 CGADHM O=C(CCc1ccc2ccccc2c1[O-])NCC1CC1 ZINC000294310547 372645427 /nfs/dbraw/zinc/64/54/27/372645427.db2.gz GGHWWVODDIJAKZ-UHFFFAOYSA-N -1 3 269.344 3.004 20 0 CGADHM CN(CCC1CCOCC1)Cc1cccc([O-])c1Cl ZINC000295249319 372717745 /nfs/dbraw/zinc/71/77/45/372717745.db2.gz FTQGZJOASCCFEZ-UHFFFAOYSA-N -1 3 283.799 3.294 20 0 CGADHM O=C(c1cc2c([nH]1)CCCC2)N1CCCc2cccc([O-])c21 ZINC000296869259 296188049 /nfs/dbraw/zinc/18/80/49/296188049.db2.gz VWVVQCMEDSPXKE-UHFFFAOYSA-N -1 3 296.370 3.192 20 0 CGADHM CC1(C(=O)Nc2ccc(OC(F)(F)F)cc2[O-])CC1 ZINC000442804527 373092141 /nfs/dbraw/zinc/09/21/41/373092141.db2.gz ZUBZKUPLDHOVKZ-UHFFFAOYSA-N -1 3 275.226 3.029 20 0 CGADHM COc1ccc(CC(=O)Nc2c(C)cccc2[O-])c(F)c1 ZINC000444291581 373180913 /nfs/dbraw/zinc/18/09/13/373180913.db2.gz TUBFRYDVMUDNCJ-UHFFFAOYSA-N -1 3 289.306 3.030 20 0 CGADHM O=S(=O)([N-]CCC1CC1)c1cccc(Cl)c1Cl ZINC000173766201 373188246 /nfs/dbraw/zinc/18/82/46/373188246.db2.gz NMDMNOHJAZQFGS-UHFFFAOYSA-N -1 3 294.203 3.072 20 0 CGADHM Cc1cc(C(=O)N2CCC[C@H](C(C)C)C2)ccc1[O-] ZINC000444517179 373196856 /nfs/dbraw/zinc/19/68/56/373196856.db2.gz FMVWDYGULKNXQH-AWEZNQCLSA-N -1 3 261.365 3.209 20 0 CGADHM Cc1cccc(C(=O)N2CCC3(C2)CCCCC3)c1[O-] ZINC000173998389 373230211 /nfs/dbraw/zinc/23/02/11/373230211.db2.gz GLZOFXWRHROFNG-UHFFFAOYSA-N -1 3 273.376 3.497 20 0 CGADHM CC(C)O[N-]C(=O)Nc1ccc(N2CCCC2)c(Cl)c1 ZINC000296743039 373232981 /nfs/dbraw/zinc/23/29/81/373232981.db2.gz UCSSMFSNBGRFHK-UHFFFAOYSA-N -1 3 297.786 3.402 20 0 CGADHM Cn1c(=O)[n-]nc1SCc1ccc(C2CCC2)cc1 ZINC000447317501 373422164 /nfs/dbraw/zinc/42/21/64/373422164.db2.gz MMSFIMQHYCHBMW-UHFFFAOYSA-N -1 3 275.377 3.081 20 0 CGADHM Cc1ocnc1C(=O)Nc1cc(C(C)(C)C)ccc1[O-] ZINC000299191412 373480767 /nfs/dbraw/zinc/48/07/67/373480767.db2.gz PUXBXQRWJLMHKD-UHFFFAOYSA-N -1 3 274.320 3.238 20 0 CGADHM Cc1ccc(F)c(CN(C)[C@H](C)c2nc(C)cc(=O)[n-]2)c1 ZINC000447884470 373514077 /nfs/dbraw/zinc/51/40/77/373514077.db2.gz XUOCTRLNJFEIPC-GFCCVEGCSA-N -1 3 289.354 3.131 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N2CCCCC(C)(C)C2)n1 ZINC000447880685 373514306 /nfs/dbraw/zinc/51/43/06/373514306.db2.gz VYZMVMPOMMGFPT-LBPRGKRZSA-N -1 3 263.385 3.064 20 0 CGADHM Cc1ccc(C(=O)Nc2ncc(Cl)s2)c([O-])c1 ZINC000064479795 541888773 /nfs/dbraw/zinc/88/87/73/541888773.db2.gz JMWRRFFGPNZIGB-UHFFFAOYSA-N -1 3 268.725 3.063 20 0 CGADHM CCO[N-]C(=O)CCCc1csc2ccccc12 ZINC000176293507 373578869 /nfs/dbraw/zinc/57/88/69/373578869.db2.gz PUXSVJTWUWJKCB-UHFFFAOYSA-N -1 3 263.362 3.292 20 0 CGADHM O=C(NCc1ccc([O-])c(F)c1)C1(Cc2ccccc2)CC1 ZINC000176302861 373579004 /nfs/dbraw/zinc/57/90/04/373579004.db2.gz PWHCEMKYRSHLDO-UHFFFAOYSA-N -1 3 299.345 3.170 20 0 CGADHM O=C(Cc1ccc([O-])cc1Cl)NC[C@H]1C[C@H]2CC[C@@H]1C2 ZINC000178231944 373755862 /nfs/dbraw/zinc/75/58/62/373755862.db2.gz ZWRKPNVGOOQKAG-DMDPSCGWSA-N -1 3 293.794 3.141 20 0 CGADHM [O-]c1cc(F)cc(CN2CCC[C@]3(CCSC3)C2)c1 ZINC000449736337 373863547 /nfs/dbraw/zinc/86/35/47/373863547.db2.gz WFIRBSGYINNXQS-HNNXBMFYSA-N -1 3 281.396 3.250 20 0 CGADHM CC[C@@H](CC(F)(F)F)C(=O)NCc1ccc([O-])c(F)c1 ZINC000449910276 373968033 /nfs/dbraw/zinc/96/80/33/373968033.db2.gz DIABYYKPPCZBJK-VIFPVBQESA-N -1 3 293.260 3.126 20 0 CGADHM CC(=O)c1[n-]c(=N[C@H]2CCO[C@H](CC(C)C)C2)sc1C ZINC000450426609 374121197 /nfs/dbraw/zinc/12/11/97/374121197.db2.gz QOABXSVSKPJKEV-QWHCGFSZSA-N -1 3 296.436 3.082 20 0 CGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)[C@@H](C)[C@@H](C)CC ZINC000181267872 374100354 /nfs/dbraw/zinc/10/03/54/374100354.db2.gz PYANKNBUXLIOHK-UWVGGRQHSA-N -1 3 296.367 3.034 20 0 CGADHM COc1cc(C)cc(CN=c2[n-]c(C(C)=O)c(C)s2)c1 ZINC000450407055 374108851 /nfs/dbraw/zinc/10/88/51/374108851.db2.gz QPBYPMSWIPLKIG-UHFFFAOYSA-N -1 3 290.388 3.005 20 0 CGADHM O=C([O-])[C@@H]1C=C[C@H](NCc2cccc(Cl)c2Cl)C1 ZINC000310770621 374223928 /nfs/dbraw/zinc/22/39/28/374223928.db2.gz CPUGACXHRZCHPN-SCZZXKLOSA-N -1 3 286.158 3.112 20 0 CGADHM Cc1nc(-c2cccc(NC(=O)c3cccc([O-])c3)c2)no1 ZINC000182232592 374241859 /nfs/dbraw/zinc/24/18/59/374241859.db2.gz QKAQGTYAKDMTLD-UHFFFAOYSA-N -1 3 295.298 3.003 20 0 CGADHM C[C@H](NC[C@@H]1CCCC[C@H]1C)c1ncc(C(=O)[O-])s1 ZINC000315360325 374328934 /nfs/dbraw/zinc/32/89/34/374328934.db2.gz QPGKMNSUXJDSJO-VWYCJHECSA-N -1 3 282.409 3.318 20 0 CGADHM CC(C)CCOCCNCc1cccc([O-])c1Cl ZINC000328213210 374360520 /nfs/dbraw/zinc/36/05/20/374360520.db2.gz JCRAADYXWZBVOQ-UHFFFAOYSA-N -1 3 271.788 3.198 20 0 CGADHM Cc1ncsc1CNCc1cccc([O-])c1Cl ZINC000328219528 374361138 /nfs/dbraw/zinc/36/11/38/374361138.db2.gz LBISAJSRZUBJGU-UHFFFAOYSA-N -1 3 268.769 3.100 20 0 CGADHM CCc1ccc(C(=O)NCC(C)(C)c2ccccn2)c([O-])c1 ZINC000452386614 374350181 /nfs/dbraw/zinc/35/01/81/374350181.db2.gz MYBPEJQVURPORC-UHFFFAOYSA-N -1 3 298.386 3.057 20 0 CGADHM CC1(c2noc(CCCc3ccc([O-])c(F)c3)n2)CC1 ZINC000453305790 374406006 /nfs/dbraw/zinc/40/60/06/374406006.db2.gz ROQMPGAIQZKEHA-UHFFFAOYSA-N -1 3 276.311 3.141 20 0 CGADHM Cc1ccc(CN2Cc3ccccc3[C@H](C(=O)[O-])C2)cc1 ZINC000087612299 541944845 /nfs/dbraw/zinc/94/48/45/541944845.db2.gz PCNREQIWDOOQTQ-QGZVFWFLSA-N -1 3 281.355 3.179 20 0 CGADHM CC(C)(C)c1ccc(NC(=O)C[C@H]2CCCO2)c([O-])c1 ZINC000330396099 374459079 /nfs/dbraw/zinc/45/90/79/374459079.db2.gz KBHHPKSFEZFWAZ-GFCCVEGCSA-N -1 3 277.364 3.197 20 0 CGADHM O=[S@@](CCCc1ccccc1)c1cccc([O-])c1 ZINC000184038271 374483660 /nfs/dbraw/zinc/48/36/60/374483660.db2.gz ISPZNZMPIJCRCG-SFHVURJKSA-N -1 3 260.358 3.133 20 0 CGADHM CSc1cccc(F)c1C(=O)[N-]c1c(C)noc1C ZINC000334154625 206111387 /nfs/dbraw/zinc/11/13/87/206111387.db2.gz SCKVCCJOHSFGTI-UHFFFAOYSA-N -1 3 280.324 3.405 20 0 CGADHM O=C(c1ccccc1[O-])N1CCCc2ccccc2CC1 ZINC000456315053 374509834 /nfs/dbraw/zinc/50/98/34/374509834.db2.gz QHVSFUOPBPJNJI-UHFFFAOYSA-N -1 3 281.355 3.023 20 0 CGADHM COc1cccc2c1[C@H](C(=O)Nc1c(C)cccc1[O-])CC2 ZINC000334166606 206128492 /nfs/dbraw/zinc/12/84/92/206128492.db2.gz ARSDOJNDVXDIHD-CYBMUJFWSA-N -1 3 297.354 3.378 20 0 CGADHM C[C@@H](CC(=O)NCc1ncccc1[O-])C1CCCCC1 ZINC000331027847 374497215 /nfs/dbraw/zinc/49/72/15/374497215.db2.gz WGQLVTFCKOLKKB-LBPRGKRZSA-N -1 3 276.380 3.010 20 0 CGADHM CCc1cccc(C(=O)N2CC[C@@H](C)C[C@H]2C)c1[O-] ZINC000091729287 541970290 /nfs/dbraw/zinc/97/02/90/541970290.db2.gz WGSRGRSORBYEEB-VXGBXAGGSA-N -1 3 261.365 3.215 20 0 CGADHM C[C@@H](c1ccc(C(=O)[O-])o1)N(C)CCc1cccs1 ZINC000093268876 541980975 /nfs/dbraw/zinc/98/09/75/541980975.db2.gz HRDPIYFYZXKIIC-JTQLQIEISA-N -1 3 279.361 3.275 20 0 CGADHM [O-]c1cc(F)cc(CNC2(c3ccccc3F)CC2)c1 ZINC000185545073 374684725 /nfs/dbraw/zinc/68/47/25/374684725.db2.gz MSQLJRXPBVUPQD-UHFFFAOYSA-N -1 3 275.298 3.449 20 0 CGADHM O=C(Cc1ccc([O-])cc1Cl)NC1(C2CCC2)CCC1 ZINC000458233223 374729377 /nfs/dbraw/zinc/72/93/77/374729377.db2.gz HKNBSBFPLKNXEG-UHFFFAOYSA-N -1 3 293.794 3.427 20 0 CGADHM Cc1cc(C(=O)[N-]c2c(F)cc(Cl)c(C)c2F)no1 ZINC000334509450 374806152 /nfs/dbraw/zinc/80/61/52/374806152.db2.gz XYUIGVNIUKHXOO-UHFFFAOYSA-N -1 3 286.665 3.475 20 0 CGADHM CC(C)[C@H]1CN(Cc2cc([O-])cc(F)c2)CCS1 ZINC000186262830 374822392 /nfs/dbraw/zinc/82/23/92/374822392.db2.gz CCUYNAUUBBCIPF-CQSZACIVSA-N -1 3 269.385 3.105 20 0 CGADHM C[C@]1(NC(=O)CCCc2ccc([O-])c(F)c2)CC=CCC1 ZINC000458353313 374778051 /nfs/dbraw/zinc/77/80/51/374778051.db2.gz VPXRTHBMHNZPBX-KRWDZBQOSA-N -1 3 291.366 3.469 20 0 CGADHM C[C@H]1CCN(C(=O)Cc2cccc(N)c2)c2c([O-])cccc21 ZINC000335009945 375070045 /nfs/dbraw/zinc/07/00/45/375070045.db2.gz CKVQWJXLBLFAHT-LBPRGKRZSA-N -1 3 296.370 3.057 20 0 CGADHM CCO[N-]C(=O)Nc1ccc2c(c1)OC(CC)(CC)O2 ZINC000188099695 375157244 /nfs/dbraw/zinc/15/72/44/375157244.db2.gz ZWOAAHFSENIJPZ-UHFFFAOYSA-N -1 3 280.324 3.047 20 0 CGADHM [O-]c1ccc(-c2noc(CC3CC(F)(F)C3)n2)cc1 ZINC000335150726 375177793 /nfs/dbraw/zinc/17/77/93/375177793.db2.gz GGCSDSHOSNULQK-UHFFFAOYSA-N -1 3 266.247 3.030 20 0 CGADHM C[C@H](NC(=O)c1cc([O-])ccc1Cl)c1cccc(O)c1 ZINC000334258336 206269012 /nfs/dbraw/zinc/26/90/12/206269012.db2.gz RQVBKYZEGOSIHP-VIFPVBQESA-N -1 3 291.734 3.242 20 0 CGADHM O=C(Nc1cccc(Cl)c1)c1n[n-]nc1-c1ccccc1 ZINC000188392869 375208576 /nfs/dbraw/zinc/20/85/76/375208576.db2.gz URJFFRGZEMSGTH-UHFFFAOYSA-N -1 3 298.733 3.377 20 0 CGADHM C[C@@H]1C[C@H]1c1noc(Cc2ccc([O-])cc2Cl)n1 ZINC000335205281 375226877 /nfs/dbraw/zinc/22/68/77/375226877.db2.gz GKEQJMQBHDIJHP-GMSGAONNSA-N -1 3 264.712 3.143 20 0 CGADHM Cc1cc(NC(=O)c2cn[n-]c2-c2ccsc2)ccc1O ZINC000188847697 375279129 /nfs/dbraw/zinc/27/91/29/375279129.db2.gz LRCXDMIPTQRKRM-UHFFFAOYSA-N -1 3 299.355 3.405 20 0 CGADHM Cc1cc(NC(=O)c2c[n-]nc2-c2ccsc2)ccc1O ZINC000188847697 375279135 /nfs/dbraw/zinc/27/91/35/375279135.db2.gz LRCXDMIPTQRKRM-UHFFFAOYSA-N -1 3 299.355 3.405 20 0 CGADHM O=C(Nc1ccc([O-])cc1F)c1c[nH]c(C(F)(F)F)c1 ZINC000335704067 375361582 /nfs/dbraw/zinc/36/15/82/375361582.db2.gz RYZFRDNOSVATQL-UHFFFAOYSA-N -1 3 288.200 3.131 20 0 CGADHM CN(C(=O)c1cc(=O)c2ccccc2[n-]1)[C@@H]1CCC(C)(C)C1 ZINC000335719325 375374203 /nfs/dbraw/zinc/37/42/03/375374203.db2.gz PJSMCOBTMLHZDM-GFCCVEGCSA-N -1 3 298.386 3.179 20 0 CGADHM CSc1ccc(NC(=O)c2cc([O-])ccc2Cl)cn1 ZINC000335723260 375376934 /nfs/dbraw/zinc/37/69/34/375376934.db2.gz ILTACAZCEMUJHL-UHFFFAOYSA-N -1 3 294.763 3.415 20 0 CGADHM COc1cc(C(=O)N(C)[C@@H]2CCC(C)(C)C2)ccc1[O-] ZINC000335723262 375376963 /nfs/dbraw/zinc/37/69/63/375376963.db2.gz JGXVCQRPALMTFL-GFCCVEGCSA-N -1 3 277.364 3.052 20 0 CGADHM O=C(/C=C\c1ccc[nH]1)Nc1ccc(Cl)cc1[O-] ZINC000491981557 375386199 /nfs/dbraw/zinc/38/61/99/375386199.db2.gz WSPYCQLUWCYDCC-XQRVVYSFSA-N -1 3 262.696 3.026 20 0 CGADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCCCO1 ZINC000190058112 375472685 /nfs/dbraw/zinc/47/26/85/375472685.db2.gz VCVJWOOULVWCAZ-UHFFFAOYSA-N -1 3 297.354 3.151 20 0 CGADHM C/C=C(/C=C/C(=O)NCc1ccc([O-])c(F)c1)CC ZINC000492177854 375437601 /nfs/dbraw/zinc/43/76/01/375437601.db2.gz AVRIOANEEGEZCS-OEPKPEFXSA-N -1 3 263.312 3.060 20 0 CGADHM Cc1ccc([O-])c(CN[C@@H]2CSc3ccccc32)n1 ZINC000334262558 206276686 /nfs/dbraw/zinc/27/66/86/206276686.db2.gz ZTLZFGSFQLGWRL-CYBMUJFWSA-N -1 3 272.373 3.032 20 0 CGADHM CCCCOc1ccc(C(=O)N2CC[C@@H](CC)C2)c([O-])c1 ZINC000190614449 375525784 /nfs/dbraw/zinc/52/57/84/375525784.db2.gz OBBJNKGNEIHFBX-CYBMUJFWSA-N -1 3 291.391 3.443 20 0 CGADHM O=C(c1cc([O-])ccc1Cl)N1CC[C@H]2CCC[C@@H]21 ZINC000335939759 375554950 /nfs/dbraw/zinc/55/49/50/375554950.db2.gz TZJPILDTWMYFIU-RNCFNFMXSA-N -1 3 265.740 3.060 20 0 CGADHM Cc1cc(C(=O)N2CCCc3cc(F)ccc32)ccc1[O-] ZINC000499715697 375632057 /nfs/dbraw/zinc/63/20/57/375632057.db2.gz TYFIYLNPLAUEQX-UHFFFAOYSA-N -1 3 285.318 3.433 20 0 CGADHM CC(C)(C)c1csc([N-]C(=O)c2ncc(F)cc2F)n1 ZINC000336111574 375693596 /nfs/dbraw/zinc/69/35/96/375693596.db2.gz JBEXXLWWKGMIOZ-UHFFFAOYSA-N -1 3 297.330 3.366 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)N(C)Cc2ccc(Cl)cc2)n1 ZINC000192537161 375763068 /nfs/dbraw/zinc/76/30/68/375763068.db2.gz PZBIKJWNLDLYNT-LLVKDONJSA-N -1 3 291.782 3.337 20 0 CGADHM CCc1cccc(C(=O)N(CC)Cc2ccoc2)c1[O-] ZINC000130929569 542066744 /nfs/dbraw/zinc/06/67/44/542066744.db2.gz PKHCSWDNBVIQAZ-UHFFFAOYSA-N -1 3 273.332 3.210 20 0 CGADHM O=C([N-]c1cc(F)c(F)c(F)c1)c1cc(C2CC2)no1 ZINC000336576829 375846331 /nfs/dbraw/zinc/84/63/31/375846331.db2.gz SHXZSFKZSPVRKB-UHFFFAOYSA-N -1 3 282.221 3.222 20 0 CGADHM Cc1ccc([C@@H]2C[C@H]2NC(=O)c2ccc([O-])c(C)c2)cc1 ZINC000520411092 375855348 /nfs/dbraw/zinc/85/53/48/375855348.db2.gz PUAXUKIOPLAAKY-JKSUJKDBSA-N -1 3 281.355 3.295 20 0 CGADHM Cc1cccc([C@H]2CCCN2C(=O)c2ccc(O)cc2[O-])c1 ZINC000193765769 375920792 /nfs/dbraw/zinc/92/07/92/375920792.db2.gz FHMWRORSBQGANU-MRXNPFEDSA-N -1 3 297.354 3.384 20 0 CGADHM CCC[C@H]1CCc2nc(NC([O-])=NOCC)sc2C1 ZINC000194561382 376019668 /nfs/dbraw/zinc/01/96/68/376019668.db2.gz LZZJKLXYBLXJHO-VIFPVBQESA-N -1 3 283.397 3.121 20 0 CGADHM CCC[C@H]1CCc2nc(NC(=O)[N-]OCC)sc2C1 ZINC000194561382 376019677 /nfs/dbraw/zinc/01/96/77/376019677.db2.gz LZZJKLXYBLXJHO-VIFPVBQESA-N -1 3 283.397 3.121 20 0 CGADHM CC[C@@H](C)n1nc(C(=O)Nc2cccc([O-])c2F)cc1C ZINC000537594955 376178400 /nfs/dbraw/zinc/17/84/00/376178400.db2.gz BBKGINVOVZRLFN-SECBINFHSA-N -1 3 291.326 3.260 20 0 CGADHM CCc1cccc(C(=O)Nc2cc(C)ccc2O)c1[O-] ZINC000536713803 376125451 /nfs/dbraw/zinc/12/54/51/376125451.db2.gz GPHJGZPJGMZEKU-UHFFFAOYSA-N -1 3 271.316 3.221 20 0 CGADHM C[C@H](CC(=O)Nc1cc(F)ccc1[O-])c1ccncc1 ZINC000132527115 542076596 /nfs/dbraw/zinc/07/65/96/542076596.db2.gz UVKCBUGIONBHTJ-SNVBAGLBSA-N -1 3 274.295 3.059 20 0 CGADHM COc1cc(/C=C(/C)c2cnccn2)cc(Cl)c1[O-] ZINC000540923543 376404319 /nfs/dbraw/zinc/40/43/19/376404319.db2.gz LIQCWNGNNAQENB-UITAMQMPSA-N -1 3 276.723 3.405 20 0 CGADHM Cc1nc2c(cccc2C(=O)Nc2ccc(C)cc2[O-])[nH]1 ZINC000338509715 376407573 /nfs/dbraw/zinc/40/75/73/376407573.db2.gz NPRDRUKKHGMNAV-UHFFFAOYSA-N -1 3 281.315 3.138 20 0 CGADHM CCC(CC)(OC)c1noc(-c2cc(C)ccc2[O-])n1 ZINC000227834042 376414939 /nfs/dbraw/zinc/41/49/39/376414939.db2.gz BMGDSSKHODIPBN-UHFFFAOYSA-N -1 3 276.336 3.412 20 0 CGADHM CC1(C)CCC[C@H]1C(=O)Nc1ccc([O-])cc1F ZINC000229016718 376454712 /nfs/dbraw/zinc/45/47/12/376454712.db2.gz HFZBSKPHFFEXLZ-JTQLQIEISA-N -1 3 251.301 3.296 20 0 CGADHM Cc1ccc(NC(=O)c2cncc(OC(C)C)c2)c([O-])c1 ZINC000133849333 542081631 /nfs/dbraw/zinc/08/16/31/542081631.db2.gz LDJCYVIALVUOFF-UHFFFAOYSA-N -1 3 286.331 3.135 20 0 CGADHM Cc1ccc([C@@H](C)[N-]S(=O)(=O)c2sccc2F)cc1 ZINC000338867288 376554050 /nfs/dbraw/zinc/55/40/50/376554050.db2.gz QZSXFDCELXPVFE-SNVBAGLBSA-N -1 3 299.392 3.235 20 0 CGADHM CC(C)c1cc(C(=O)N2CC(F)C2)c([O-])c(C(C)C)c1 ZINC000542431612 376539960 /nfs/dbraw/zinc/53/99/60/376539960.db2.gz MRODYERPNFYAQA-UHFFFAOYSA-N -1 3 279.355 3.433 20 0 CGADHM CC1(NC(=O)c2cc([O-])ccc2Cl)CCCC1 ZINC000232874440 376590676 /nfs/dbraw/zinc/59/06/76/376590676.db2.gz SURVGMNMDRBLPF-UHFFFAOYSA-N -1 3 253.729 3.108 20 0 CGADHM O=C(Nc1cccc([O-])c1F)c1c[nH]c(C(F)(F)F)c1 ZINC000334324918 206370735 /nfs/dbraw/zinc/37/07/35/206370735.db2.gz KLTYGBRUDZWLSL-UHFFFAOYSA-N -1 3 288.200 3.131 20 0 CGADHM COc1ccc(C(=O)Nc2ccc(Cl)cc2[O-])cc1F ZINC000339007479 376626427 /nfs/dbraw/zinc/62/64/27/376626427.db2.gz SSKZNKZEUOBSKZ-UHFFFAOYSA-N -1 3 295.697 3.446 20 0 CGADHM Cc1cc([C@@H](C)NCc2cccc(C(=O)[O-])c2)c(C)o1 ZINC000235214284 376634078 /nfs/dbraw/zinc/63/40/78/376634078.db2.gz RCCONRSYZJFXOI-LLVKDONJSA-N -1 3 273.332 3.445 20 0 CGADHM CCc1cccc(-c2nc(-c3ccncc3)no2)c1[O-] ZINC000543635620 376664451 /nfs/dbraw/zinc/66/44/51/376664451.db2.gz PNNJZRZBTYJMAW-UHFFFAOYSA-N -1 3 267.288 3.067 20 0 CGADHM COc1ccc(NC(=O)c2cccc3ncccc32)c([O-])c1 ZINC000135406713 542087159 /nfs/dbraw/zinc/08/71/59/542087159.db2.gz FCLKLZFBCPEYSA-UHFFFAOYSA-N -1 3 294.310 3.201 20 0 CGADHM CCCCO[C@H](C)c1nc(-c2ccc([O-])c(OC)c2)no1 ZINC000264630645 190124242 /nfs/dbraw/zinc/12/42/42/190124242.db2.gz SPHVHJSTWOAIJI-SNVBAGLBSA-N -1 3 292.335 3.329 20 0 CGADHM CCO[C@@H](CC)c1noc(-c2cccc(C)c2[O-])n1 ZINC000157368218 542133516 /nfs/dbraw/zinc/13/35/16/542133516.db2.gz UMMJDFBLEHXFHZ-NSHDSACASA-N -1 3 262.309 3.238 20 0 CGADHM CCc1cccc(C(=O)N[C@@H](CC)CC(F)(F)F)c1[O-] ZINC000545509098 376827627 /nfs/dbraw/zinc/82/76/27/376827627.db2.gz QHKWQOSVBGLUSW-JTQLQIEISA-N -1 3 289.297 3.415 20 0 CGADHM O=C(Nc1ccc(Cl)cc1[O-])[C@H]1[C@@H]2CCC[C@@H]21 ZINC000245753209 376900437 /nfs/dbraw/zinc/90/04/37/376900437.db2.gz DMDJDKLCXRXXIQ-GDGBQDQQSA-N -1 3 251.713 3.030 20 0 CGADHM Oc1[n-]c(SCCC2=CCCCC2)nc2nncc1-2 ZINC000557241498 376925611 /nfs/dbraw/zinc/92/56/11/376925611.db2.gz JWLNOOLABSLEQV-UHFFFAOYSA-N -1 3 276.365 3.041 20 0 CGADHM O=C(CSc1ccc(F)cc1)Nc1cc(F)ccc1[O-] ZINC000340330803 377007918 /nfs/dbraw/zinc/00/79/18/377007918.db2.gz LOILKLNHDADIAJ-UHFFFAOYSA-N -1 3 295.310 3.401 20 0 CGADHM COc1cccc(C(=O)N2[C@H](C)C[C@H]3CCCC[C@H]32)c1[O-] ZINC000246803485 377091250 /nfs/dbraw/zinc/09/12/50/377091250.db2.gz POCYXZIPRYUUKA-YRGRVCCFSA-N -1 3 289.375 3.194 20 0 CGADHM C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cccc([O-])c1 ZINC000248420802 377314143 /nfs/dbraw/zinc/31/41/43/377314143.db2.gz XMAXWOCZIQSHKE-TYNCELHUSA-N -1 3 259.349 3.185 20 0 CGADHM CCC1CCN(C(=O)c2c[n-]c3ccc(C)cc3c2=O)CC1 ZINC000340953132 377333502 /nfs/dbraw/zinc/33/35/02/377333502.db2.gz KVCISQXQFSIPMG-UHFFFAOYSA-N -1 3 298.386 3.099 20 0 CGADHM O=C([O-])[C@H]1C[C@@H](NCc2ccsc2)c2ccccc21 ZINC000417618894 304202854 /nfs/dbraw/zinc/20/28/54/304202854.db2.gz JWMHYDMRGVRWFC-UONOGXRCSA-N -1 3 273.357 3.151 20 0 CGADHM CC[C@@H]1CCCN([C@H](C)c2nc(C)cc(=O)[n-]2)CC1 ZINC000248748153 377393833 /nfs/dbraw/zinc/39/38/33/377393833.db2.gz NWBVPXLZYCJKDF-CHWSQXEVSA-N -1 3 263.385 3.064 20 0 CGADHM Cc1cnc(CCCC(=O)Nc2c([O-])cccc2Cl)o1 ZINC000563399702 377457729 /nfs/dbraw/zinc/45/77/29/377457729.db2.gz ZDZZCNIFZPMQLO-UHFFFAOYSA-N -1 3 294.738 3.303 20 0 CGADHM CCC(CC)(CC)[N-]S(=O)(=O)c1ccccc1F ZINC000086642982 249018345 /nfs/dbraw/zinc/01/83/45/249018345.db2.gz AEPMXMOZFJPJEH-UHFFFAOYSA-N -1 3 273.373 3.073 20 0 CGADHM C[C@@H](CC(=O)[O-])NCc1cc(Cl)sc1Cl ZINC000312703037 249082988 /nfs/dbraw/zinc/08/29/88/249082988.db2.gz FJRHMCIDFBYXNR-YFKPBYRVSA-N -1 3 268.165 3.008 20 0 CGADHM [O-]c1cccc(CN[C@@H]2CC=CCC2)c1Br ZINC000315158324 249098546 /nfs/dbraw/zinc/09/85/46/249098546.db2.gz UPUVHBMRDLKDHB-LLVKDONJSA-N -1 3 282.181 3.353 20 0 CGADHM O=C(COc1ccccc1F)Nc1c([O-])cccc1Cl ZINC000515684061 249219152 /nfs/dbraw/zinc/21/91/52/249219152.db2.gz BFGXJWWNHUCLLR-UHFFFAOYSA-N -1 3 295.697 3.202 20 0 CGADHM CCCC[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000515733778 249220452 /nfs/dbraw/zinc/22/04/52/249220452.db2.gz OWQRRWZGCZFBAZ-UHFFFAOYSA-N -1 3 296.219 3.380 20 0 CGADHM CC(C)CCC1CCN(C(=O)Cc2cncc([O-])c2)CC1 ZINC000574100139 377620417 /nfs/dbraw/zinc/62/04/17/377620417.db2.gz MWVKJNGRYDNAPU-UHFFFAOYSA-N -1 3 290.407 3.005 20 0 CGADHM O=C([O-])[C@@H](CC1CCCCC1)NCc1cccc(F)c1F ZINC000574906202 377722722 /nfs/dbraw/zinc/72/27/22/377722722.db2.gz DZLHNSYREGWLIW-CQSZACIVSA-N -1 3 297.345 3.478 20 0 CGADHM CCc1cc(=O)[n-]c(CSCc2ccc(F)cc2F)n1 ZINC000342739169 377767080 /nfs/dbraw/zinc/76/70/80/377767080.db2.gz WZUAPRZUAVITDL-UHFFFAOYSA-N -1 3 296.342 3.456 20 0 CGADHM CC(C)C[C@H](CNCc1ccc([C@H]2C[C@@H]2C)o1)C(=O)[O-] ZINC000263053293 377916672 /nfs/dbraw/zinc/91/66/72/377916672.db2.gz LFLPFENPZIFNSE-SCRDCRAPSA-N -1 3 279.380 3.240 20 0 CGADHM CSc1cccc(F)c1CNC1CCC(C(=O)[O-])CC1 ZINC000263400947 377932269 /nfs/dbraw/zinc/93/22/69/377932269.db2.gz IBCBRVMWXMXXFV-UHFFFAOYSA-N -1 3 297.395 3.281 20 0 CGADHM CCc1cc(N2CC[C@@](C)(C(=O)[O-])C2)c2ccccc2n1 ZINC000263398967 377932728 /nfs/dbraw/zinc/93/27/28/377932728.db2.gz IIQZBDFVCUKSNY-QGZVFWFLSA-N -1 3 284.359 3.098 20 0 CGADHM CN(CCC(=O)[O-])Cc1cc(-c2ccccc2)cs1 ZINC000263409964 377934165 /nfs/dbraw/zinc/93/41/65/377934165.db2.gz LBTVOXSJMVFUCM-UHFFFAOYSA-N -1 3 275.373 3.322 20 0 CGADHM O=C([O-])c1ccc(CN[C@@H](c2cccnc2)C2CC2)cc1 ZINC000263443048 377938247 /nfs/dbraw/zinc/93/82/47/377938247.db2.gz XCEUNLIYZNVVJZ-MRXNPFEDSA-N -1 3 282.343 3.021 20 0 CGADHM Cc1cc(Cl)cc(CN2C[C@H](C(=O)[O-])CC[C@@H]2C)c1 ZINC000263507009 377942746 /nfs/dbraw/zinc/94/27/46/377942746.db2.gz MIEXFDHCLJKAGR-WCQYABFASA-N -1 3 281.783 3.334 20 0 CGADHM Cc1cncc(CCC(=O)Nc2cc(Cl)ccc2[O-])c1 ZINC000343301388 377948788 /nfs/dbraw/zinc/94/87/88/377948788.db2.gz QWRJZOSEZVFHDT-UHFFFAOYSA-N -1 3 290.750 3.320 20 0 CGADHM C[C@@H](C(=O)[O-])[C@H](C)NCc1csc(-c2ccsc2)n1 ZINC000577878577 378019566 /nfs/dbraw/zinc/01/95/66/378019566.db2.gz OXMJQJIFRRIPQP-BDAKNGLRSA-N -1 3 296.417 3.070 20 0 CGADHM Cc1cccc(C(=O)N2CC[C@@H](c3ccccc3F)C2)c1[O-] ZINC000264341224 377977944 /nfs/dbraw/zinc/97/79/44/377977944.db2.gz AZFHHIAURMEFHF-CYBMUJFWSA-N -1 3 299.345 3.469 20 0 CGADHM O=C([O-])c1ccc(CN2CCC[C@H]2c2ccccc2)nc1 ZINC000575874875 377997599 /nfs/dbraw/zinc/99/75/99/377997599.db2.gz KYINWZBCIRUIQR-INIZCTEOSA-N -1 3 282.343 3.117 20 0 CGADHM COc1ccsc1C=Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000575976596 378004489 /nfs/dbraw/zinc/00/44/89/378004489.db2.gz RUPLUVQSQYJFOZ-SNAWJCMRSA-N -1 3 274.345 3.300 20 0 CGADHM CC(C)C[C@@H]1CCN(C(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC000266704965 378024532 /nfs/dbraw/zinc/02/45/32/378024532.db2.gz QLYXERDSSLWKDH-ZDUSSCGKSA-N -1 3 298.386 3.449 20 0 CGADHM C[C@@H]1CN(Cc2cc(Cl)ccc2F)C[C@@]1(C)C(=O)[O-] ZINC000565112548 322061568 /nfs/dbraw/zinc/06/15/68/322061568.db2.gz MWQOULBQUNQWFL-YMTOWFKASA-N -1 3 285.746 3.022 20 0 CGADHM CCS[C@@H]1CC[C@H](N(C)Cc2occc2C(=O)[O-])C1 ZINC000578874711 378108471 /nfs/dbraw/zinc/10/84/71/378108471.db2.gz DDOIAQPBMPYIGM-WDEREUQCSA-N -1 3 283.393 3.084 20 0 CGADHM Cc1oc([C@H](C)N2C[C@H](C)C[C@H](C)C2)cc1C(=O)[O-] ZINC000579720568 378186799 /nfs/dbraw/zinc/18/67/99/378186799.db2.gz PUXNCGDLCPDRBP-AXFHLTTASA-N -1 3 265.353 3.325 20 0 CGADHM Cc1cc(SC(C)(C)C)ccc1NC(=O)c1nc[n-]n1 ZINC000269402274 378216545 /nfs/dbraw/zinc/21/65/45/378216545.db2.gz CZWPLIOHSQUUJU-UHFFFAOYSA-N -1 3 290.392 3.256 20 0 CGADHM CCS[C@H]1CC[C@@H](N(C)Cc2ccc(C(=O)[O-])o2)C1 ZINC000583267823 378315961 /nfs/dbraw/zinc/31/59/61/378315961.db2.gz HSTSTPIDOQFJIP-PWSUYJOCSA-N -1 3 283.393 3.084 20 0 CGADHM CC[C@@H](C(=O)Nc1cccc(Cl)c1[O-])N(CC)CC ZINC000270334982 378337588 /nfs/dbraw/zinc/33/75/88/378337588.db2.gz AFCYCTSTETYZOW-LBPRGKRZSA-N -1 3 284.787 3.105 20 0 CGADHM Cc1ccc([O-])c(NC(=O)Cc2c(F)cccc2Cl)n1 ZINC000345918465 378407932 /nfs/dbraw/zinc/40/79/32/378407932.db2.gz AYKQCMHHYIQVSA-UHFFFAOYSA-N -1 3 294.713 3.069 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2cc(F)c(F)cc2Cl)n1 ZINC000345922767 378409440 /nfs/dbraw/zinc/40/94/40/378409440.db2.gz GHBZMTQLYSRGBV-UHFFFAOYSA-N -1 3 298.676 3.280 20 0 CGADHM COc1ccc(Cl)c(CN2CCC[C@H](CC(=O)[O-])C2)c1 ZINC000584056025 378372006 /nfs/dbraw/zinc/37/20/06/378372006.db2.gz BDCWRRRWTPJRAC-LLVKDONJSA-N -1 3 297.782 3.035 20 0 CGADHM C[C@H](CCC1CC1)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000345954850 378421412 /nfs/dbraw/zinc/42/14/12/378421412.db2.gz NEOYIVKYRFOWHP-MRVPVSSYSA-N -1 3 293.841 3.259 20 0 CGADHM CC(C)[C@@H](C)CC(=O)N1CCCc2cccc([O-])c21 ZINC000271004858 378426598 /nfs/dbraw/zinc/42/65/98/378426598.db2.gz YYSOWQCVOBXIOO-LBPRGKRZSA-N -1 3 261.365 3.354 20 0 CGADHM Cc1ccc(C(=O)N2CCC[C@@H]2C2CCC2)c([O-])c1C ZINC000271363459 378489125 /nfs/dbraw/zinc/48/91/25/378489125.db2.gz YNHIWKHWKJGQHK-OAHLLOKOSA-N -1 3 273.376 3.414 20 0 CGADHM CC(C)c1coc([N-]C(=O)c2snnc2C(C)(C)C)n1 ZINC000637634820 378547483 /nfs/dbraw/zinc/54/74/83/378547483.db2.gz VVCQUXBXKWGEEE-UHFFFAOYSA-N -1 3 294.380 3.199 20 0 CGADHM CCOc1nc2ccc(C(=O)Nc3ccsc3)cc2[n-]1 ZINC000346435251 378578499 /nfs/dbraw/zinc/57/84/99/378578499.db2.gz PDRYLLTXMNDYCM-UHFFFAOYSA-N -1 3 287.344 3.275 20 0 CGADHM CCOc1nc2cc(C(=O)Nc3ccsc3)ccc2[n-]1 ZINC000346435251 378578506 /nfs/dbraw/zinc/57/85/06/378578506.db2.gz PDRYLLTXMNDYCM-UHFFFAOYSA-N -1 3 287.344 3.275 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)Sc2ccc(O)cc2)n1 ZINC000346597022 378639096 /nfs/dbraw/zinc/63/90/96/378639096.db2.gz UIRKMCHDKWRQPE-VIFPVBQESA-N -1 3 262.334 3.050 20 0 CGADHM CC(=O)c1ccc(C(=O)[N-]c2ncsc2C(C)C)o1 ZINC000346508459 378598794 /nfs/dbraw/zinc/59/87/94/378598794.db2.gz IYTOCXMRKDDZLB-UHFFFAOYSA-N -1 3 278.333 3.314 20 0 CGADHM CCc1nc([C@@H](C)NC(=O)c2ccc([O-])c(C)c2)cs1 ZINC000272467646 378644787 /nfs/dbraw/zinc/64/47/87/378644787.db2.gz PIOLDMFCWFKMSW-SNVBAGLBSA-N -1 3 290.388 3.211 20 0 CGADHM [O-]c1cccnc1CNCc1cccc(OC2CCCC2)c1 ZINC000347991715 378747377 /nfs/dbraw/zinc/74/73/77/378747377.db2.gz BMYVUVSVVWGELA-UHFFFAOYSA-N -1 3 298.386 3.398 20 0 CGADHM [O-]c1c(-c2nc([C@H]3CCCO3)no2)ccc2c1CCCC2 ZINC000274171904 378787000 /nfs/dbraw/zinc/78/70/00/378787000.db2.gz OTBLMCVALJFKMH-CYBMUJFWSA-N -1 3 286.331 3.173 20 0 CGADHM [O-]c1cc(F)cc(CNC2(c3ccccc3)CC2)c1 ZINC000274426099 378831386 /nfs/dbraw/zinc/83/13/86/378831386.db2.gz LIBHSYBZOUQZFU-UHFFFAOYSA-N -1 3 257.308 3.310 20 0 CGADHM CC(C)C[C@@H](C)C(=O)N1CCCc2cccc([O-])c21 ZINC000274296586 378806331 /nfs/dbraw/zinc/80/63/31/378806331.db2.gz RHDOHCVUCWLKRY-GFCCVEGCSA-N -1 3 261.365 3.354 20 0 CGADHM COCCC[C@@H](C)C(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000274411684 378828316 /nfs/dbraw/zinc/82/83/16/378828316.db2.gz VQXRPJSCRHVHGQ-CHWSQXEVSA-N -1 3 291.391 3.295 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)C[C@H]2C[C@@H]2C)c1[O-] ZINC000566709709 322135192 /nfs/dbraw/zinc/13/51/92/322135192.db2.gz KSRMCOFGYRLCJB-IONNQARKSA-N -1 3 253.729 3.339 20 0 CGADHM Cc1cc(C(=O)N[C@@H]2CCCO[C@@H]2CC(C)C)ccc1[O-] ZINC000274855857 378907275 /nfs/dbraw/zinc/90/72/75/378907275.db2.gz QKFJGLQHWUKQAG-GDBMZVCRSA-N -1 3 291.391 3.024 20 0 CGADHM CCO[N-]C(=O)Nc1ccc(N2CCCCCC2)cc1 ZINC000275173632 378946797 /nfs/dbraw/zinc/94/67/97/378946797.db2.gz XKASGZMHQHGTPO-UHFFFAOYSA-N -1 3 277.368 3.140 20 0 CGADHM CC(C)c1noc([N-]Cc2ncc(C(F)(F)F)s2)n1 ZINC000278635879 194078766 /nfs/dbraw/zinc/07/87/66/194078766.db2.gz FVIZTACBMQAULB-UHFFFAOYSA-N -1 3 292.286 3.280 20 0 CGADHM COc1cccc(CN[C@H](CC(=O)[O-])c2ccsc2)c1 ZINC000276931722 379025582 /nfs/dbraw/zinc/02/55/82/379025582.db2.gz BRXPCBBXRVUJBB-CQSZACIVSA-N -1 3 291.372 3.062 20 0 CGADHM O=C([N-]C1CC(F)(F)C1)C(F)(F)c1cccc(Cl)c1 ZINC000277132220 379075594 /nfs/dbraw/zinc/07/55/94/379075594.db2.gz AXNWNGYDXDTIHP-UHFFFAOYSA-N -1 3 295.663 3.346 20 0 CGADHM CC(C)(C)[C@H](CC(=O)[O-])NCc1cccc(Cl)c1F ZINC000277180893 379091534 /nfs/dbraw/zinc/09/15/34/379091534.db2.gz FGULISCLSNLBFV-NSHDSACASA-N -1 3 287.762 3.458 20 0 CGADHM CC[C@@H]1OCCC[C@@H]1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000277232237 379106507 /nfs/dbraw/zinc/10/65/07/379106507.db2.gz BNVBNYDXZASHMK-GWCFXTLKSA-N -1 3 283.755 3.189 20 0 CGADHM C[C@@H]1CC2(CCC2)CN1C(=O)c1cc([O-])ccc1Cl ZINC000368216104 296292612 /nfs/dbraw/zinc/29/26/12/296292612.db2.gz QHOGZSHBBZVPIC-SNVBAGLBSA-N -1 3 279.767 3.450 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)[C@@H]2CCCS2)c1[O-] ZINC000266452179 190258277 /nfs/dbraw/zinc/25/82/77/190258277.db2.gz ODOWFSAVWPZDCB-JTQLQIEISA-N -1 3 271.769 3.188 20 0 CGADHM O=C(NCCCC(F)(F)F)c1c[n-]c2ccccc2c1=O ZINC000266466265 190259558 /nfs/dbraw/zinc/25/95/58/190259558.db2.gz AVLGTWDGLUYIAM-UHFFFAOYSA-N -1 3 298.264 3.013 20 0 CGADHM Cc1c(C(=O)Nc2cc(Cl)cc(C)c2[O-])ccn1C ZINC000192562092 542267157 /nfs/dbraw/zinc/26/71/57/542267157.db2.gz NXXOXYGLUZVHIH-UHFFFAOYSA-N -1 3 278.739 3.253 20 0 CGADHM CC(C)[C@H]1OCC[C@@H]1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000277834480 379246422 /nfs/dbraw/zinc/24/64/22/379246422.db2.gz YBKAEDREPKPQBI-GXFFZTMASA-N -1 3 283.755 3.045 20 0 CGADHM [O-]c1cc(F)cc(CNc2ccc(-n3ccnc3)cc2)c1 ZINC000349658090 379333440 /nfs/dbraw/zinc/33/34/40/379333440.db2.gz YMINYFDSMIGOJG-UHFFFAOYSA-N -1 3 283.306 3.329 20 0 CGADHM Cn1cc([C@@H](NCc2cc([O-])cc(F)c2)C(C)(C)C)cn1 ZINC000349670021 379338130 /nfs/dbraw/zinc/33/81/30/379338130.db2.gz QJKLUJWSOJEUPB-OAHLLOKOSA-N -1 3 291.370 3.142 20 0 CGADHM COc1c(F)cc(F)cc1NCc1cc([O-])cc(F)c1 ZINC000349562786 379305727 /nfs/dbraw/zinc/30/57/27/379305727.db2.gz FSIRODKBWUYTEE-UHFFFAOYSA-N -1 3 283.249 3.430 20 0 CGADHM c1ccc([C@@H]([N-]c2nnc(C3CC3)o2)[C@@H]2CCCO2)cc1 ZINC000278465054 379396488 /nfs/dbraw/zinc/39/64/88/379396488.db2.gz TUYJEOFNEHDSFN-UONOGXRCSA-N -1 3 285.347 3.279 20 0 CGADHM C[C@@H]1C[C@@H](C)CN(Cc2c(F)ccc([O-])c2F)C1 ZINC000350148530 379519851 /nfs/dbraw/zinc/51/98/51/379519851.db2.gz RWRAWPCEWBIBJV-NXEZZACHSA-N -1 3 255.308 3.148 20 0 CGADHM CC(C)c1ccc(-c2nc(-c3ccc(=O)[nH]c3)no2)c([O-])c1 ZINC000350806935 379587416 /nfs/dbraw/zinc/58/74/16/379587416.db2.gz UQURCGKPOHKBRO-UHFFFAOYSA-N -1 3 297.314 3.333 20 0 CGADHM CCc1cnccc1-c1noc(-c2cccc(OC)c2[O-])n1 ZINC000350567480 379561494 /nfs/dbraw/zinc/56/14/94/379561494.db2.gz QQIDIKRSPCEQTQ-UHFFFAOYSA-N -1 3 297.314 3.075 20 0 CGADHM CO[C@H](C)c1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000350587996 379566836 /nfs/dbraw/zinc/56/68/36/379566836.db2.gz UQUYJADDNBXFTR-SECBINFHSA-N -1 3 270.288 3.303 20 0 CGADHM CC(F)(F)C(=O)[N-][C@@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC000377399083 379671456 /nfs/dbraw/zinc/67/14/56/379671456.db2.gz NFIKRVSESYPULD-SNVBAGLBSA-N -1 3 287.281 3.199 20 0 CGADHM CSCCON=C([O-])Nc1cccc(C(F)(F)F)c1 ZINC000280488514 379715991 /nfs/dbraw/zinc/71/59/91/379715991.db2.gz JVPJFAGYXCGLCY-UHFFFAOYSA-N -1 3 294.298 3.122 20 0 CGADHM CSCCO[N-]C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000280488514 379715999 /nfs/dbraw/zinc/71/59/99/379715999.db2.gz JVPJFAGYXCGLCY-UHFFFAOYSA-N -1 3 294.298 3.122 20 0 CGADHM CC[C@H]1CCc2nc(NC([O-])=NOCC(C)C)sc2C1 ZINC000282177711 379868587 /nfs/dbraw/zinc/86/85/87/379868587.db2.gz RCPLBHBZJMROBK-JTQLQIEISA-N -1 3 297.424 3.367 20 0 CGADHM CC[C@H]1CCc2nc(NC(=O)[N-]OCC(C)C)sc2C1 ZINC000282177711 379868593 /nfs/dbraw/zinc/86/85/93/379868593.db2.gz RCPLBHBZJMROBK-JTQLQIEISA-N -1 3 297.424 3.367 20 0 CGADHM CC(C)C[C@@H](C(=O)NCc1ncccc1[O-])c1ccccc1 ZINC000352517744 379843744 /nfs/dbraw/zinc/84/37/44/379843744.db2.gz RPADGSGGLXXVQV-OAHLLOKOSA-N -1 3 298.386 3.233 20 0 CGADHM Cc1oc(C(=O)[O-])cc1CN1CCC2(C1)CCCCC2 ZINC000380176845 379861659 /nfs/dbraw/zinc/86/16/59/379861659.db2.gz CCDWMHJLMRAAIV-UHFFFAOYSA-N -1 3 277.364 3.442 20 0 CGADHM O=C([N-]c1csc2ccccc12)c1csnn1 ZINC000352599005 379871933 /nfs/dbraw/zinc/87/19/33/379871933.db2.gz XBHXFSBCNITVNQ-UHFFFAOYSA-N -1 3 261.331 3.005 20 0 CGADHM C[C@H](C1CCCCC1)N(C)C(=O)c1ccccc1[O-] ZINC000282323537 379899278 /nfs/dbraw/zinc/89/92/78/379899278.db2.gz ABZOVCLVEJSZNU-GFCCVEGCSA-N -1 3 261.365 3.433 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-]C(C)(C)C(C)(C)C)c(F)c1 ZINC000404944463 379984709 /nfs/dbraw/zinc/98/47/09/379984709.db2.gz GGSAQTAZBZEHIM-UHFFFAOYSA-N -1 3 287.400 3.237 20 0 CGADHM COC[C@@H]1CCCCN(Cc2cccc([O-])c2Cl)C1 ZINC000352923846 380040953 /nfs/dbraw/zinc/04/09/53/380040953.db2.gz DIJXJLAMUXELGH-GFCCVEGCSA-N -1 3 283.799 3.294 20 0 CGADHM COc1cc(C(=O)NCCCC2CCCC2)ccc1[O-] ZINC000268090197 190375678 /nfs/dbraw/zinc/37/56/78/190375678.db2.gz SYCOOJISIXVWMZ-UHFFFAOYSA-N -1 3 277.364 3.101 20 0 CGADHM Cc1noc([N-]C(=O)COCc2cccc(Cl)c2)c1C ZINC000410529997 380102377 /nfs/dbraw/zinc/10/23/77/380102377.db2.gz VYIRJBOXLIIRCV-UHFFFAOYSA-N -1 3 294.738 3.100 20 0 CGADHM COc1cc(C(=O)N[C@@H](c2ccccc2)C2CC2)ccc1[O-] ZINC000268064017 190373863 /nfs/dbraw/zinc/37/38/63/190373863.db2.gz GBXAXKALCJMWCL-KRWDZBQOSA-N -1 3 297.354 3.282 20 0 CGADHM CCO[N-]C(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F ZINC000268625582 190416292 /nfs/dbraw/zinc/41/62/92/190416292.db2.gz LBRNUIOYWNYQOO-YFHOEESVSA-N -1 3 293.672 3.353 20 0 CGADHM COc1cc2ccccc2cc1CN(C)CCCC(=O)[O-] ZINC000414635490 380347392 /nfs/dbraw/zinc/34/73/92/380347392.db2.gz HAQBVLLTKDQEQB-UHFFFAOYSA-N -1 3 287.359 3.145 20 0 CGADHM CN(CCCC(=O)[O-])Cc1ccc(-c2ccccc2F)o1 ZINC000414635319 380347719 /nfs/dbraw/zinc/34/77/19/380347719.db2.gz GFOFLLLAGMVJCU-UHFFFAOYSA-N -1 3 291.322 3.382 20 0 CGADHM CC[C@@H](C)CCC(=O)N1CCCc2cccc([O-])c21 ZINC000354427486 380434279 /nfs/dbraw/zinc/43/42/79/380434279.db2.gz KCKFKUQDLDKLCP-GFCCVEGCSA-N -1 3 261.365 3.498 20 0 CGADHM CC[C@@H]1CCN1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000644786249 380511086 /nfs/dbraw/zinc/51/10/86/380511086.db2.gz PVMKXRGZIIVADA-SNVBAGLBSA-N -1 3 283.331 3.066 20 0 CGADHM C[C@@H](NCc1cc(C(F)(F)F)ccc1F)[C@@H](C)C(=O)[O-] ZINC000417606651 380648496 /nfs/dbraw/zinc/64/84/96/380648496.db2.gz FSXFWJWZZWGAKH-HTQZYQBOSA-N -1 3 293.260 3.043 20 0 CGADHM CCCc1csc(CN[C@H]2CCCC[C@@]2(C)C(=O)[O-])n1 ZINC000417576133 380643383 /nfs/dbraw/zinc/64/33/83/380643383.db2.gz JYSMDAGYDJXDGB-SWLSCSKDSA-N -1 3 296.436 3.219 20 0 CGADHM [O-]c1cccc(CNCCc2ccccc2O)c1Cl ZINC000645150727 380595749 /nfs/dbraw/zinc/59/57/49/380595749.db2.gz ZRKIBFRXKBMIIA-UHFFFAOYSA-N -1 3 277.751 3.084 20 0 CGADHM [O-]c1cccc(CNCCC[C@H]2CCCC[C@@H]2O)c1Cl ZINC000645166312 380600079 /nfs/dbraw/zinc/60/00/79/380600079.db2.gz SVFLFYFSOZJEEO-OCCSQVGLSA-N -1 3 297.826 3.467 20 0 CGADHM O=C([O-])[C@H]1C=C[C@H](NCc2cc(Cl)cc(Cl)c2)C1 ZINC000417613109 380652332 /nfs/dbraw/zinc/65/23/32/380652332.db2.gz CMNDPVUTMYJGSQ-CABZTGNLSA-N -1 3 286.158 3.112 20 0 CGADHM C[C@H](NCc1ccc(Oc2ccccc2)o1)[C@H](C)C(=O)[O-] ZINC000417616002 380653574 /nfs/dbraw/zinc/65/35/74/380653574.db2.gz UTNMIVMFJHDLSI-RYUDHWBXSA-N -1 3 289.331 3.271 20 0 CGADHM Cc1sccc1CN[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC000417619695 380654731 /nfs/dbraw/zinc/65/47/31/380654731.db2.gz FKZBLGMMRMBRQM-LSDHHAIUSA-N -1 3 287.384 3.459 20 0 CGADHM CC[C@@H](CCC(=O)[O-])NCc1ccc(F)cc1Cl ZINC000417633235 380659291 /nfs/dbraw/zinc/65/92/91/380659291.db2.gz ZLQDHHIEMRAYOT-NSHDSACASA-N -1 3 273.735 3.212 20 0 CGADHM CC(C)[C@@H]1CCN1C(=O)c1cc([O-])ccc1C(F)(F)F ZINC000356642909 380808471 /nfs/dbraw/zinc/80/84/71/380808471.db2.gz KSHZOAXWVMSULV-LBPRGKRZSA-N -1 3 287.281 3.282 20 0 CGADHM COCCN(Cc1cccc([O-])c1Cl)C1CCCC1 ZINC000646060054 380815531 /nfs/dbraw/zinc/81/55/31/380815531.db2.gz VZYDUGQXRXTTOI-UHFFFAOYSA-N -1 3 283.799 3.437 20 0 CGADHM Cc1ccc([O-])c(CNC2(c3ccc(F)cc3)CC2)n1 ZINC000356877082 380915958 /nfs/dbraw/zinc/91/59/58/380915958.db2.gz OZKBWAQCZZLVQY-UHFFFAOYSA-N -1 3 272.323 3.014 20 0 CGADHM C[C@H]1CCCC[C@@H]1CCNC(=O)c1cccc([O-])c1 ZINC000357303841 381099274 /nfs/dbraw/zinc/09/92/74/381099274.db2.gz HTCOVXOVOGOYPM-QWHCGFSZSA-N -1 3 261.365 3.338 20 0 CGADHM O=C(NC[C@H]1SCCc2ccccc21)c1cccc([O-])c1 ZINC000357311312 381101466 /nfs/dbraw/zinc/10/14/66/381101466.db2.gz OTFSMNLFJHOILD-MRXNPFEDSA-N -1 3 299.395 3.153 20 0 CGADHM Cc1cccc2c(=O)c(C(=O)N3CCC[C@H](C)CC3)c[n-]c12 ZINC000357692504 381253868 /nfs/dbraw/zinc/25/38/68/381253868.db2.gz AWDSMDXLFDLSTL-LBPRGKRZSA-N -1 3 298.386 3.099 20 0 CGADHM CC=Cc1ccc(NC(=O)c2ccc3n[n-]nc3c2)cc1 ZINC000360323808 381516980 /nfs/dbraw/zinc/51/69/80/381516980.db2.gz INAZLSLSYFYLFR-IHWYPQMZSA-N -1 3 278.315 3.243 20 0 CGADHM Cc1cc(C(=O)[N-]c2nc3c(s2)CC(C)(C)CC3)on1 ZINC000331751941 291784165 /nfs/dbraw/zinc/78/41/65/291784165.db2.gz GUCQBDBFGMGTMO-UHFFFAOYSA-N -1 3 291.376 3.207 20 0 CGADHM Cc1ccc(-c2nnc(NC(=O)[C@H]3CCCC3(C)C)[n-]2)o1 ZINC000361501055 381778223 /nfs/dbraw/zinc/77/82/23/381778223.db2.gz MCJXNALQTYPXRX-SNVBAGLBSA-N -1 3 288.351 3.138 20 0 CGADHM Cc1ccc(-c2n[n-]c(NC(=O)[C@H]3CCCC3(C)C)n2)o1 ZINC000361501055 381778229 /nfs/dbraw/zinc/77/82/29/381778229.db2.gz MCJXNALQTYPXRX-SNVBAGLBSA-N -1 3 288.351 3.138 20 0 CGADHM Cc1ccc(-c2nc(NC(=O)[C@H]3CCCC3(C)C)n[n-]2)o1 ZINC000361501055 381778235 /nfs/dbraw/zinc/77/82/35/381778235.db2.gz MCJXNALQTYPXRX-SNVBAGLBSA-N -1 3 288.351 3.138 20 0 CGADHM CC[C@H](C)C(=O)Nc1nnc(-c2cc3ccccc3o2)[n-]1 ZINC000362245008 381918405 /nfs/dbraw/zinc/91/84/05/381918405.db2.gz PLIAJIQTFIVHIM-VIFPVBQESA-N -1 3 284.319 3.203 20 0 CGADHM CC[C@H](C)C(=O)Nc1nc(-c2cc3ccccc3o2)n[n-]1 ZINC000362245008 381918413 /nfs/dbraw/zinc/91/84/13/381918413.db2.gz PLIAJIQTFIVHIM-VIFPVBQESA-N -1 3 284.319 3.203 20 0 CGADHM CC[C@H](C)C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000362245008 381918421 /nfs/dbraw/zinc/91/84/21/381918421.db2.gz PLIAJIQTFIVHIM-VIFPVBQESA-N -1 3 284.319 3.203 20 0 CGADHM O=C(Nc1nnc(-c2cc3ccccc3o2)[n-]1)c1ccco1 ZINC000362264227 381923142 /nfs/dbraw/zinc/92/31/42/381923142.db2.gz VYRGMFIOSCKCMN-UHFFFAOYSA-N -1 3 294.270 3.063 20 0 CGADHM O=C(Nc1nc(-c2cc3ccccc3o2)n[n-]1)c1ccco1 ZINC000362264227 381923147 /nfs/dbraw/zinc/92/31/47/381923147.db2.gz VYRGMFIOSCKCMN-UHFFFAOYSA-N -1 3 294.270 3.063 20 0 CGADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)c1ccco1 ZINC000362264227 381923152 /nfs/dbraw/zinc/92/31/52/381923152.db2.gz VYRGMFIOSCKCMN-UHFFFAOYSA-N -1 3 294.270 3.063 20 0 CGADHM C[C@H](CC(=O)[O-])NCc1cc(C(F)(F)F)ccc1Cl ZINC000362345386 381950154 /nfs/dbraw/zinc/95/01/54/381950154.db2.gz FWGZRNREMMCFBU-SSDOTTSWSA-N -1 3 295.688 3.312 20 0 CGADHM COc1ccc(-c2ccccc2)cc1CN[C@H](C)CC(=O)[O-] ZINC000362347994 381951009 /nfs/dbraw/zinc/95/10/09/381951009.db2.gz CDQTZSQUNHFLBU-CYBMUJFWSA-N -1 3 299.370 3.315 20 0 CGADHM [O-]c1cccc(CN2CC[C@@H](C3CCOCC3)C2)c1Cl ZINC000334944209 207332619 /nfs/dbraw/zinc/33/26/19/207332619.db2.gz IPVUJAUTUSRJQL-CYBMUJFWSA-N -1 3 295.810 3.294 20 0 CGADHM O=C([N-]c1cc(F)ccc1F)c1nc2cccnc2s1 ZINC000362532968 382043663 /nfs/dbraw/zinc/04/36/63/382043663.db2.gz KHPBMVLKHSLIAA-UHFFFAOYSA-N -1 3 291.282 3.222 20 0 CGADHM C=CCCCCCN1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000236457094 542315366 /nfs/dbraw/zinc/31/53/66/542315366.db2.gz BAFWANOGINHMGY-INIZCTEOSA-N -1 3 273.376 3.417 20 0 CGADHM C[C@H](CC(C)(C)c1ccccc1)[N-]C(=O)C(F)(F)F ZINC000725891825 572483163 /nfs/dbraw/zinc/48/31/63/572483163.db2.gz DBYZUAZDISSWHU-SNVBAGLBSA-N -1 3 273.298 3.421 20 0 CGADHM CC(=O)c1ccc(NC([O-])=NOC2CCCC2)cc1C ZINC000271805371 542366796 /nfs/dbraw/zinc/36/67/96/542366796.db2.gz LBDDUBZHIIXPLM-UHFFFAOYSA-N -1 3 276.336 3.193 20 0 CGADHM CC(=O)c1ccc(NC(=O)[N-]OC2CCCC2)cc1C ZINC000271805371 542366801 /nfs/dbraw/zinc/36/68/01/542366801.db2.gz LBDDUBZHIIXPLM-UHFFFAOYSA-N -1 3 276.336 3.193 20 0 CGADHM COc1cc(C(=O)N(CCC(C)C)C2CC2)ccc1[O-] ZINC000276093174 542374918 /nfs/dbraw/zinc/37/49/18/542374918.db2.gz HYLCKRXRXCDXDH-UHFFFAOYSA-N -1 3 277.364 3.052 20 0 CGADHM CCN(C(=O)c1cc([O-])c2ccccc2c1)C(C)C ZINC000279644630 542379793 /nfs/dbraw/zinc/37/97/93/542379793.db2.gz WXXLQMWQGXBDPG-UHFFFAOYSA-N -1 3 257.333 3.416 20 0 CGADHM C[C@H]([N-]C(=O)C(C)(F)F)c1ccc(OC(F)F)cc1 ZINC000288662019 197139283 /nfs/dbraw/zinc/13/92/83/197139283.db2.gz VXQZBVQKVJTUDO-ZETCQYMHSA-N -1 3 279.233 3.120 20 0 CGADHM O=C(c1cc([O-])c2ccccc2c1)N1CC[C@@H]1C1CC1 ZINC000334546514 542457968 /nfs/dbraw/zinc/45/79/68/542457968.db2.gz XQBVNUAIOHAFJL-OAHLLOKOSA-N -1 3 267.328 3.170 20 0 CGADHM C[C@@H]1CN(C(=O)c2cc([O-])c3ccccc3c2)[C@H]1C ZINC000335972203 542473103 /nfs/dbraw/zinc/47/31/03/542473103.db2.gz YOPOYASIGZPGJX-MNOVXSKESA-N -1 3 255.317 3.026 20 0 CGADHM Cc1ccc(NC(=O)/C=C/c2cncc([O-])c2)c(Cl)c1 ZINC000179383576 260045982 /nfs/dbraw/zinc/04/59/82/260045982.db2.gz OGGYZOZVUBKMJG-HWKANZROSA-N -1 3 288.734 3.401 20 0 CGADHM CO[C@@H]1C[C@H](NC(=O)c2cc([O-])c3ccccc3c2)C1(C)C ZINC000354818875 542564745 /nfs/dbraw/zinc/56/47/45/542564745.db2.gz KBJDUBAIPRUVIO-JKSUJKDBSA-N -1 3 299.370 3.089 20 0 CGADHM COc1ccc(C(=O)N(C)[C@@H](C)C2CCCCC2)c([O-])c1 ZINC000436637612 533285091 /nfs/dbraw/zinc/28/50/91/533285091.db2.gz XFBRHNMVDYDNRF-LBPRGKRZSA-N -1 3 291.391 3.442 20 0 CGADHM COc1ccc(C(=O)N[C@H](C)[C@@H](C)c2ccccc2)c([O-])c1 ZINC000436574716 533341731 /nfs/dbraw/zinc/34/17/31/533341731.db2.gz LSXPZDDPHZQEJQ-CHWSQXEVSA-N -1 3 299.370 3.323 20 0 CGADHM COc1ccc(C(=O)N[C@H]2c3ccccc3C[C@H]2C)c([O-])c1 ZINC000436544722 533345501 /nfs/dbraw/zinc/34/55/01/533345501.db2.gz KFWCWRAYGSJGJO-PIGZYNQJSA-N -1 3 297.354 3.064 20 0 CGADHM COc1cccc(C(=O)Nc2ccc3ccn(C)c3c2)c1[O-] ZINC000172873377 533420519 /nfs/dbraw/zinc/42/05/19/533420519.db2.gz NUHREHOKZPUICO-UHFFFAOYSA-N -1 3 296.326 3.145 20 0 CGADHM Cc1ccc(C(=O)N[C@H]2CSc3ccccc32)c([O-])c1 ZINC000436533307 533602459 /nfs/dbraw/zinc/60/24/59/533602459.db2.gz YFCMVAUGNWDCOJ-ZDUSSCGKSA-N -1 3 285.368 3.277 20 0 CGADHM Cc1ccc(C(=O)N[C@H]2CCc3c2cccc3F)c([O-])c1 ZINC000436686450 533599653 /nfs/dbraw/zinc/59/96/53/533599653.db2.gz FOMAZPNYYNENPS-HNNXBMFYSA-N -1 3 285.318 3.257 20 0 CGADHM CC[C@@H]1CCC[C@@H](NC(=O)c2cccc(OC)c2[O-])C1 ZINC000068604201 392167038 /nfs/dbraw/zinc/16/70/38/392167038.db2.gz LMILILXEJXCREE-VXGBXAGGSA-N -1 3 277.364 3.099 20 0 CGADHM Cc1ncc(C(=O)[N-]c2c(F)cc(F)cc2F)s1 ZINC000072506903 392207287 /nfs/dbraw/zinc/20/72/87/392207287.db2.gz LZDHGHZCEDWMQP-UHFFFAOYSA-N -1 3 272.251 3.121 20 0 CGADHM Cc1ccc(CNCc2ccc(C(=O)[O-])cc2)cc1C ZINC000083514185 392223018 /nfs/dbraw/zinc/22/30/18/392223018.db2.gz AQFVLPVTKDAXOG-UHFFFAOYSA-N -1 3 269.344 3.291 20 0 CGADHM O=C([N-]C1=NCCS1)[C@@H]1C[C@@H]1c1cccc2ccccc21 ZINC000107424890 392322617 /nfs/dbraw/zinc/32/26/17/392322617.db2.gz GCTUFBCAXYQPFV-HUUCEWRRSA-N -1 3 296.395 3.162 20 0 CGADHM O=c1[n-]c(-c2cc(F)c(F)c(F)c2)nc2ccc(O)cc12 ZINC000436926442 542658430 /nfs/dbraw/zinc/65/84/30/542658430.db2.gz LLDYMQRGVGVPDY-UHFFFAOYSA-N -1 3 292.216 3.125 20 0 CGADHM O=c1[nH]c(Cc2c[nH]c3ccccc23)nc2ccc([O-])cc12 ZINC000436924870 542658680 /nfs/dbraw/zinc/65/86/80/542658680.db2.gz GYPBIUSDGYFQOD-UHFFFAOYSA-N -1 3 291.310 3.113 20 0 CGADHM COc1ccc(NC(=O)[C@H]2C[C@H](C)C[C@H](C)C2)c([O-])c1 ZINC000443556055 542667243 /nfs/dbraw/zinc/66/72/43/542667243.db2.gz DJXNDNCRPVFPGX-GDNZZTSVSA-N -1 3 277.364 3.412 20 0 CGADHM C[C@@]1(F)CCCN(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000295621463 392549208 /nfs/dbraw/zinc/54/92/08/392549208.db2.gz RDIJKMYOTRAHSX-CYBMUJFWSA-N -1 3 271.719 3.010 20 0 CGADHM COc1ccc(C[S@](=O)c2ccc([O-])cc2)cc1Cl ZINC000179129134 392687740 /nfs/dbraw/zinc/68/77/40/392687740.db2.gz JTKKUCZXAUCVOQ-IBGZPJMESA-N -1 3 296.775 3.362 20 0 CGADHM CCN(Cc1ccccc1C)C(=O)/C=C/c1cncc([O-])c1 ZINC000181872063 392737481 /nfs/dbraw/zinc/73/74/81/392737481.db2.gz TUPXKINMBIWYSA-CMDGGOBGSA-N -1 3 296.370 3.158 20 0 CGADHM O=C(Nc1cccc([O-])c1F)[C@H]1CC12CCSCC2 ZINC000336185881 392838685 /nfs/dbraw/zinc/83/86/85/392838685.db2.gz BPKNKFCTLKWSHL-SECBINFHSA-N -1 3 281.352 3.003 20 0 CGADHM Cc1ccc(C(=O)N=c2cc(-c3ccccc3)[n-][nH]2)cc1F ZINC000511621969 392844232 /nfs/dbraw/zinc/84/42/32/392844232.db2.gz BUPWLVTVAMVITN-UHFFFAOYSA-N -1 3 295.317 3.198 20 0 CGADHM C[C@@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)C1CCCCC1 ZINC000336344705 392849343 /nfs/dbraw/zinc/84/93/43/392849343.db2.gz PUAYSVYPDZUGSL-GFCCVEGCSA-N -1 3 298.386 3.227 20 0 CGADHM COc1ccc(NC(=O)C2(Cc3ccccc3)CC2)c([O-])c1 ZINC000527202691 542741003 /nfs/dbraw/zinc/74/10/03/542741003.db2.gz PTNPGFIPQUWTCL-UHFFFAOYSA-N -1 3 297.354 3.362 20 0 CGADHM O=C(N[C@H]1[C@@H]2CCC[C@@H]21)c1cc([O-])c2ccccc2c1 ZINC000527475175 542742554 /nfs/dbraw/zinc/74/25/54/542742554.db2.gz OROVOUIOCGVXPR-FOLVSLTJSA-N -1 3 267.328 3.074 20 0 CGADHM Cc1cccc(C(=O)Nc2nnc(C(C)(C)C)s2)c1[O-] ZINC000195534401 392971482 /nfs/dbraw/zinc/97/14/82/392971482.db2.gz VQWPIZYSNATNCQ-UHFFFAOYSA-N -1 3 291.376 3.102 20 0 CGADHM [O-]c1cc(F)cc(CNCc2ccc3c(c2)CCCN3)c1 ZINC000414973121 393075193 /nfs/dbraw/zinc/07/51/93/393075193.db2.gz BTGAZBLXMPEBJA-UHFFFAOYSA-N -1 3 286.350 3.179 20 0 CGADHM CCc1cccc(C(=O)N2CCC[C@H](C(C)C)C2)c1[O-] ZINC000548054559 393166623 /nfs/dbraw/zinc/16/66/23/393166623.db2.gz IFLUMWFBCLEMPJ-AWEZNQCLSA-N -1 3 275.392 3.463 20 0 CGADHM O=C(CCCc1ccc([O-])c(F)c1)NC(C1CC1)C1CC1 ZINC000468364459 393138792 /nfs/dbraw/zinc/13/87/92/393138792.db2.gz KVZPLYWALQNKRI-UHFFFAOYSA-N -1 3 291.366 3.159 20 0 CGADHM CC[C@@H](NC(=O)c1ccc(O)cc1[O-])c1csc(C)c1 ZINC000648654769 393162563 /nfs/dbraw/zinc/16/25/63/393162563.db2.gz TWQCHDYKYRDKLE-CYBMUJFWSA-N -1 3 291.372 3.349 20 0 CGADHM CCC[C@@H]1C[C@H]1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000469404201 393190396 /nfs/dbraw/zinc/19/03/96/393190396.db2.gz QAPCMKSMOPPZDE-TZMCWYRMSA-N -1 3 279.355 3.159 20 0 CGADHM C[C@H]1CC[C@@H](N(C)Cc2c(F)ccc([O-])c2F)C1 ZINC000353209612 393215764 /nfs/dbraw/zinc/21/57/64/393215764.db2.gz ZLQIZXLWIZRKFN-VHSXEESVSA-N -1 3 255.308 3.291 20 0 CGADHM CC(=O)c1cccc(NC(=O)[C@H](C)C2CCCC2)c1[O-] ZINC000648904314 393286152 /nfs/dbraw/zinc/28/61/52/393286152.db2.gz GJKWJGGGOPJCRA-SNVBAGLBSA-N -1 3 275.348 3.360 20 0 CGADHM CSc1cc(C(=O)Nc2c([O-])cccc2Cl)ccn1 ZINC000646488479 393292604 /nfs/dbraw/zinc/29/26/04/393292604.db2.gz XIYXABWXOVDIFI-UHFFFAOYSA-N -1 3 294.763 3.415 20 0 CGADHM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc2[nH][n-]c(=O)c2c1 ZINC000646823250 393326150 /nfs/dbraw/zinc/32/61/50/393326150.db2.gz YANXDOTZMIVSBB-ZETOZRRWSA-N -1 3 299.374 3.062 20 0 CGADHM C[C@H]1CN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)C[C@@H]1C ZINC000646883103 393327208 /nfs/dbraw/zinc/32/72/08/393327208.db2.gz NBXAHXFPMCCUIN-IUCAKERBSA-N -1 3 287.281 3.139 20 0 CGADHM CC1(NC(=O)c2cc([O-])cc(C(F)(F)F)c2)CCC1 ZINC000646944822 393329026 /nfs/dbraw/zinc/32/90/26/393329026.db2.gz XEAUMAQKGXYSOR-UHFFFAOYSA-N -1 3 273.254 3.083 20 0 CGADHM Cc1ccc([O-])c(NC(=O)Cc2cccc(Cl)c2F)n1 ZINC000355577284 393330692 /nfs/dbraw/zinc/33/06/92/393330692.db2.gz PSQUXCQILKWDLW-UHFFFAOYSA-N -1 3 294.713 3.069 20 0 CGADHM O=C(CCc1ccc2ccccc2c1[O-])N1CC=CCC1 ZINC000649342483 393402086 /nfs/dbraw/zinc/40/20/86/393402086.db2.gz PJKCKNITPDENSR-UHFFFAOYSA-N -1 3 281.355 3.267 20 0 CGADHM [O-]c1cc(F)cc(CN2CC3(CCC3)[C@H]2C2CC2)c1 ZINC000356299036 393413535 /nfs/dbraw/zinc/41/35/35/393413535.db2.gz QJWRGIHCBZBVLO-OAHLLOKOSA-N -1 3 261.340 3.296 20 0 CGADHM CCc1c(C)nc2ccccc2c1N1CC[C@@H](C(=O)[O-])[C@H]1C ZINC000649406993 393413906 /nfs/dbraw/zinc/41/39/06/393413906.db2.gz RFKTUVAMDLFQGN-TZMCWYRMSA-N -1 3 298.386 3.405 20 0 CGADHM O=S(=O)([N-]CC1CCC1)c1ccc(Cl)cc1Cl ZINC000429810425 393504775 /nfs/dbraw/zinc/50/47/75/393504775.db2.gz BVTFMMPYAIZKEK-UHFFFAOYSA-N -1 3 294.203 3.072 20 0 CGADHM C[C@H]1CCN(C(=O)CC2(C)CC2)c2c([O-])cccc21 ZINC000430074860 393517669 /nfs/dbraw/zinc/51/76/69/393517669.db2.gz FVVGZZGMNBLBSJ-NSHDSACASA-N -1 3 259.349 3.423 20 0 CGADHM CCc1cc(C(=O)N2Cc3ccccc3CO2)ccc1[O-] ZINC000489800562 393615581 /nfs/dbraw/zinc/61/55/81/393615581.db2.gz HDDSWUYGJUBSNH-UHFFFAOYSA-N -1 3 283.327 3.042 20 0 CGADHM Cc1ccc(C(=O)N2CC(C)(C)OC(C)(C)C2)c([O-])c1C ZINC000443377423 393754019 /nfs/dbraw/zinc/75/40/19/393754019.db2.gz APFBIROHAXKCKL-UHFFFAOYSA-N -1 3 291.391 3.039 20 0 CGADHM CCCCn1c(SCc2nc(C)sc2C)n[n-]c1=O ZINC000443435561 393757253 /nfs/dbraw/zinc/75/72/53/393757253.db2.gz JPHNBCBRPRIKLF-UHFFFAOYSA-N -1 3 298.437 3.149 20 0 CGADHM CCOc1cc(C)ccc1NC(=O)/C=C\c1cncc([O-])c1 ZINC000492395288 393727727 /nfs/dbraw/zinc/72/77/27/393727727.db2.gz GZIMHBOFAJCLQY-ALCCZGGFSA-N -1 3 298.342 3.146 20 0 CGADHM CCc1ccc([O-])c(C(=O)N[C@H](C)c2cccc(OC)c2)c1 ZINC000500753804 393836970 /nfs/dbraw/zinc/83/69/70/393836970.db2.gz VPHFIHOOAOGZNK-GFCCVEGCSA-N -1 3 299.370 3.454 20 0 CGADHM CC(C)(C)c1ccc(NC(=O)[C@@H]2CCSC2)c([O-])c1 ZINC000501977226 393865731 /nfs/dbraw/zinc/86/57/31/393865731.db2.gz MJPBZEPMADQKAI-SNVBAGLBSA-N -1 3 279.405 3.381 20 0 CGADHM CO[C@H]1C[C@H](N(C)Cc2c(F)ccc([O-])c2F)C12CCC2 ZINC000449629176 393927745 /nfs/dbraw/zinc/92/77/45/393927745.db2.gz FBRWUBCMUZDLDS-KBPBESRZSA-N -1 3 297.345 3.060 20 0 CGADHM CC/C=C\CNC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000452603844 394091772 /nfs/dbraw/zinc/09/17/72/394091772.db2.gz PHYNUXHYIQRRBZ-ARJAWSKDSA-N -1 3 273.254 3.107 20 0 CGADHM CC(C)(C)CCc1noc(Cc2ccc([O-])c(F)c2)n1 ZINC000453177070 394197093 /nfs/dbraw/zinc/19/70/93/394197093.db2.gz FXHJNNZCWKHYBV-UHFFFAOYSA-N -1 3 278.327 3.484 20 0 CGADHM CCc1cc(C(=O)N[C@@H](C2CC2)C2CCC2)ccc1[O-] ZINC000457235187 394334756 /nfs/dbraw/zinc/33/47/56/394334756.db2.gz HQRULOXTGUFJQS-MRXNPFEDSA-N -1 3 273.376 3.263 20 0 CGADHM O=C(NCC1(C2CCC2)CCC1)c1cccc([O-])c1 ZINC000457176471 394324697 /nfs/dbraw/zinc/32/46/97/394324697.db2.gz GCYJBAOGQSJYEV-UHFFFAOYSA-N -1 3 259.349 3.092 20 0 CGADHM Cc1ccc(C(=O)N2CCCC3(CCC3)C2)c([O-])c1C ZINC000437006176 292051042 /nfs/dbraw/zinc/05/10/42/292051042.db2.gz ZOYNFMZHHGEREZ-UHFFFAOYSA-N -1 3 273.376 3.415 20 0 CGADHM Cc1nc(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])co1 ZINC000669746836 543123945 /nfs/dbraw/zinc/12/39/45/543123945.db2.gz LNCWQAYXKPRAFZ-UHFFFAOYSA-N -1 3 274.320 3.238 20 0 CGADHM Cc1cccc(F)c1S(=O)(=O)[N-][C@H](C)c1ccsc1 ZINC000669844419 543127007 /nfs/dbraw/zinc/12/70/07/543127007.db2.gz JKRWLAHVCOPIEQ-SNVBAGLBSA-N -1 3 299.392 3.235 20 0 CGADHM CSc1ccncc1[N-]C(=O)c1nc(C2CC2)oc1C ZINC000671764538 543188127 /nfs/dbraw/zinc/18/81/27/543188127.db2.gz WICWFVRGBWHPMD-UHFFFAOYSA-N -1 3 289.360 3.230 20 0 CGADHM O=C(c1cc([O-])ccc1C(F)(F)F)N1CCC[C@H]2C[C@H]21 ZINC000672126585 543198093 /nfs/dbraw/zinc/19/80/93/543198093.db2.gz JJNJZTUVZJRNEG-QPUJVOFHSA-N -1 3 285.265 3.036 20 0 CGADHM Cc1o[n-]c(=NC(=O)c2cccc(C3CCC3)c2)c1C ZINC000650389191 397834306 /nfs/dbraw/zinc/83/43/06/397834306.db2.gz DLYSRQMUNGBVLR-UHFFFAOYSA-N -1 3 270.332 3.233 20 0 CGADHM O=C(Nc1ccc(Br)cc1[O-])[C@H]1CC12CCC2 ZINC000675295324 543327259 /nfs/dbraw/zinc/32/72/59/543327259.db2.gz IRBABSUKLJAIQG-SECBINFHSA-N -1 3 296.164 3.283 20 0 CGADHM O=C(Nc1ccc(Cl)cc1[O-])C1(C(F)(F)F)CC1 ZINC000677211938 543440888 /nfs/dbraw/zinc/44/08/88/543440888.db2.gz MFTKRAOZUUSEGM-UHFFFAOYSA-N -1 3 279.645 3.327 20 0 CGADHM CCc1cc(C(=O)N[C@@H]2CCCC[C@@H]2C)ccc1[O-] ZINC000552830648 289199767 /nfs/dbraw/zinc/19/97/67/289199767.db2.gz ITNYVGMERBWHBF-SMDDNHRTSA-N -1 3 261.365 3.263 20 0 CGADHM O=C([N-]c1nc2c(s1)CCCCCC2)c1cnco1 ZINC000677523690 543453646 /nfs/dbraw/zinc/45/36/46/543453646.db2.gz LNGHPWLPQMJGNS-UHFFFAOYSA-N -1 3 277.349 3.042 20 0 CGADHM O=C([N-]c1nc(-c2ccccc2F)cs1)c1cnco1 ZINC000677570298 543455234 /nfs/dbraw/zinc/45/52/34/543455234.db2.gz AFFGPHNDLUZUSX-UHFFFAOYSA-N -1 3 289.291 3.190 20 0 CGADHM C[C@H]([N-]c1nc(-c2ccccc2)no1)[C@@H]1CCCCO1 ZINC000679005548 543581332 /nfs/dbraw/zinc/58/13/32/543581332.db2.gz VYHTXSCETKXCIJ-AAEUAGOBSA-N -1 3 273.336 3.106 20 0 CGADHM O=C(Cc1ccc(F)cc1)N1CCCc2cccc([O-])c21 ZINC000063063859 286962041 /nfs/dbraw/zinc/96/20/41/286962041.db2.gz BOFOBMOLDGNTLN-UHFFFAOYSA-N -1 3 285.318 3.053 20 0 CGADHM CC[C@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000081458927 287073363 /nfs/dbraw/zinc/07/33/63/287073363.db2.gz VHCGJTARTYIXNW-ZETCQYMHSA-N -1 3 261.243 3.396 20 0 CGADHM C[C@@]1(C(=O)[O-])CCN(Cc2cccc(C(F)(F)F)c2)C1 ZINC000062936277 165030691 /nfs/dbraw/zinc/03/06/91/165030691.db2.gz CVSYSSJLDAGYKK-CYBMUJFWSA-N -1 3 287.281 3.002 20 0 CGADHM COc1ccc(CCC(=O)Nc2ccc([O-])cc2F)cc1 ZINC000070333192 165059617 /nfs/dbraw/zinc/05/96/17/165059617.db2.gz KRQJGBBWSGUSHT-UHFFFAOYSA-N -1 3 289.306 3.111 20 0 CGADHM O=C([O-])[C@H](NCc1cccc2[nH]ccc21)c1ccccc1 ZINC000080354659 165152919 /nfs/dbraw/zinc/15/29/19/165152919.db2.gz WHZASONWYOSNCZ-MRXNPFEDSA-N -1 3 280.327 3.083 20 0 CGADHM Cc1ccc(C(=O)N(C)c2ccc(F)c(F)c2)c([O-])c1 ZINC000098106131 287125409 /nfs/dbraw/zinc/12/54/09/287125409.db2.gz PSGPIIFQPSLQDR-UHFFFAOYSA-N -1 3 277.270 3.255 20 0 CGADHM CCc1ccc([O-])c(C(=O)NC(C)(C)c2nccs2)c1 ZINC000094153058 287121894 /nfs/dbraw/zinc/12/18/94/287121894.db2.gz LTJKPGFCRBIJGK-UHFFFAOYSA-N -1 3 290.388 3.076 20 0 CGADHM CCc1nc([C@H](C)NC(=O)c2cc(C)ccc2[O-])cs1 ZINC000110505343 287131659 /nfs/dbraw/zinc/13/16/59/287131659.db2.gz JLBKPLNDWOSPKL-JTQLQIEISA-N -1 3 290.388 3.211 20 0 CGADHM Cc1ccc(C(=O)N2CCCC[C@@H]2C(C)C)c([O-])c1 ZINC000117199344 287159141 /nfs/dbraw/zinc/15/91/41/287159141.db2.gz BKYODOIBQLYJHT-CQSZACIVSA-N -1 3 261.365 3.351 20 0 CGADHM CCN(Cc1ccccc1C)C(=O)c1cc(OC)ccc1[O-] ZINC000124429237 287233313 /nfs/dbraw/zinc/23/33/13/287233313.db2.gz ZDHCCSGPUDNZGJ-UHFFFAOYSA-N -1 3 299.370 3.372 20 0 CGADHM CCC(CC)n1nccc1C(=O)Nc1ccccc1[O-] ZINC000125145032 287240415 /nfs/dbraw/zinc/24/04/15/287240415.db2.gz ZDTAHVMKZOSLKU-UHFFFAOYSA-N -1 3 273.336 3.202 20 0 CGADHM CC(C)Oc1ccc(NC(=O)c2c([O-])cccc2O)cc1 ZINC000125690423 287248952 /nfs/dbraw/zinc/24/89/52/287248952.db2.gz AJORDTQCIUZITD-UHFFFAOYSA-N -1 3 287.315 3.137 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)c2ccnn2C(C)C)c1[O-] ZINC000126374582 287262896 /nfs/dbraw/zinc/26/28/96/287262896.db2.gz IXOMZOPJRSVVNM-UHFFFAOYSA-N -1 3 293.754 3.384 20 0 CGADHM O=C(c1ccccc1[O-])N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000035219429 172060235 /nfs/dbraw/zinc/06/02/35/172060235.db2.gz MEKDEGLWMYPAEO-QWHCGFSZSA-N -1 3 259.349 3.045 20 0 CGADHM COc1cccc(-c2nc(CCC(C)(C)C)no2)c1[O-] ZINC000285201638 196220081 /nfs/dbraw/zinc/22/00/81/196220081.db2.gz SPUNSYGRMONCGD-UHFFFAOYSA-N -1 3 276.336 3.430 20 0 CGADHM Cc1ccc(C[C@H](C)N(C)C(=O)c2ccc(O)cc2[O-])cc1 ZINC000129009144 287322552 /nfs/dbraw/zinc/32/25/52/287322552.db2.gz LPBBDSOQNLUDMH-ZDUSSCGKSA-N -1 3 299.370 3.109 20 0 CGADHM COc1cc(C)c(NCc2nc(C)ccc2[O-])cc1OC ZINC000078779813 177386993 /nfs/dbraw/zinc/38/69/93/177386993.db2.gz IZQDYKWUIQTQPK-UHFFFAOYSA-N -1 3 288.347 3.033 20 0 CGADHM C[C@@H](CC(=O)Nc1ncccc1[O-])c1ccc(F)cc1 ZINC000048723451 416458400 /nfs/dbraw/zinc/45/84/00/416458400.db2.gz JMDISYWLALGJRY-JTQLQIEISA-N -1 3 274.295 3.059 20 0 CGADHM C[C@@H](NCc1cccc([O-])c1Br)C1CCC1 ZINC000315215900 416537009 /nfs/dbraw/zinc/53/70/09/416537009.db2.gz GXQRZOSDATVAAC-SECBINFHSA-N -1 3 284.197 3.433 20 0 CGADHM CC(C)O[C@@H]1CCCN(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000404541424 416554827 /nfs/dbraw/zinc/55/48/27/416554827.db2.gz RARAWQARRXZGKX-GFCCVEGCSA-N -1 3 297.782 3.075 20 0 CGADHM CC(C)O[C@H]1CCCN(Cc2cccc([O-])c2Cl)C1 ZINC000404573739 416555289 /nfs/dbraw/zinc/55/52/89/416555289.db2.gz JNLSDVJJCSZBHZ-ZDUSSCGKSA-N -1 3 283.799 3.435 20 0 CGADHM CC[C@H](NC(=O)c1cccc(C)c1[O-])c1c(C)noc1C ZINC000129718644 287337995 /nfs/dbraw/zinc/33/79/95/287337995.db2.gz NBRUXUPQIQLMAS-ZDUSSCGKSA-N -1 3 288.347 3.187 20 0 CGADHM C[C@H]1CCC[C@H](c2nc3ccc([O-])cc3c(=O)[nH]2)C1 ZINC000679270259 543611288 /nfs/dbraw/zinc/61/12/88/543611288.db2.gz WJIRCWALOWGUOR-UWVGGRQHSA-N -1 3 258.321 3.335 20 0 CGADHM Cc1cc(C(=O)N2CCC(c3ccccn3)CC2)ccc1[O-] ZINC000679412293 543635878 /nfs/dbraw/zinc/63/58/78/543635878.db2.gz OSHGKUKXDWKAAH-UHFFFAOYSA-N -1 3 296.370 3.115 20 0 CGADHM Cc1cc(C(=O)N2CC[C@@H]2c2cccc(F)c2)ccc1[O-] ZINC000679410602 543636028 /nfs/dbraw/zinc/63/60/28/543636028.db2.gz JLDLFCWPMWEAJS-OAHLLOKOSA-N -1 3 285.318 3.427 20 0 CGADHM C[C@@H](C(=O)N1CCCc2cccc([O-])c21)c1ccco1 ZINC000679319156 543616274 /nfs/dbraw/zinc/61/62/74/543616274.db2.gz SDODXZODGKLSOF-LLVKDONJSA-N -1 3 271.316 3.068 20 0 CGADHM Cc1cccc([O-])c1NC(=O)CCc1ccccc1F ZINC000679320830 543616923 /nfs/dbraw/zinc/61/69/23/543616923.db2.gz QLMVKRWVIDNUGM-UHFFFAOYSA-N -1 3 273.307 3.411 20 0 CGADHM CC1(NC(=O)c2cccc([O-])c2)CCC(F)(F)CC1 ZINC000680237362 543693782 /nfs/dbraw/zinc/69/37/82/543693782.db2.gz ALHSVUUGKJKJJW-UHFFFAOYSA-N -1 3 269.291 3.090 20 0 CGADHM Cc1ccc2c(c1)[C@H](NC(=O)c1cccc([O-])c1)CC2 ZINC000679638654 543653296 /nfs/dbraw/zinc/65/32/96/543653296.db2.gz VZCCKGOQTWPFDG-MRXNPFEDSA-N -1 3 267.328 3.118 20 0 CGADHM COc1ccc(NC(=O)c2cc3occc3s2)c([O-])c1 ZINC000682364413 543837059 /nfs/dbraw/zinc/83/70/59/543837059.db2.gz SZTHOQAITBJBDG-UHFFFAOYSA-N -1 3 289.312 3.461 20 0 CGADHM Cn1ncc2c1nc(SC1CCC(C)(C)CC1)[n-]c2=O ZINC000682476237 543847934 /nfs/dbraw/zinc/84/79/34/543847934.db2.gz IXALCXKWHPIWHC-UHFFFAOYSA-N -1 3 292.408 3.130 20 0 CGADHM C[C@@H]1CCC[C@@H](C)N(C(=O)Cc2ccc([O-])c(F)c2)C1 ZINC000449936430 287380939 /nfs/dbraw/zinc/38/09/39/287380939.db2.gz DAHBCIRVSCIDDQ-VXGBXAGGSA-N -1 3 279.355 3.111 20 0 CGADHM CCc1cccc(-c2nc(-c3ccoc3)no2)c1[O-] ZINC000683590834 543927645 /nfs/dbraw/zinc/92/76/45/543927645.db2.gz ADCKNEXFEDPWMH-UHFFFAOYSA-N -1 3 256.261 3.265 20 0 CGADHM COc1ccc([C@H](CC(=O)[O-])NCc2ccccc2C)cc1 ZINC000683171624 543901126 /nfs/dbraw/zinc/90/11/26/543901126.db2.gz NNCAFLDDDYWTKF-KRWDZBQOSA-N -1 3 299.370 3.309 20 0 CGADHM Cc1ccc(NC(=O)[C@H]2Cc3ccc(F)cc32)c([O-])c1 ZINC000684358110 543984466 /nfs/dbraw/zinc/98/44/66/543984466.db2.gz MZSSQMHHMNFDCP-ZDUSSCGKSA-N -1 3 271.291 3.118 20 0 CGADHM O=C(CCC(F)F)Nc1cc(Br)ccc1[O-] ZINC000684471200 544005891 /nfs/dbraw/zinc/00/58/91/544005891.db2.gz SNXLVDVFQNRUMP-UHFFFAOYSA-N -1 3 294.095 3.139 20 0 CGADHM C[C@@]1(CNC(=O)c2cccc([O-])c2)C[C@H]1c1ccccc1 ZINC000355047833 227343919 /nfs/dbraw/zinc/34/39/19/227343919.db2.gz KPXCHWRYXACEGQ-WMZOPIPTSA-N -1 3 281.355 3.316 20 0 CGADHM O=C([O-])[C@H](c1ccsc1)N1Cc2ccccc2C2(CC2)C1 ZINC000652425666 418966348 /nfs/dbraw/zinc/96/63/48/418966348.db2.gz GDWKGBWDBWVSQI-HNNXBMFYSA-N -1 3 299.395 3.421 20 0 CGADHM O=C([O-])CCN(Cc1cc(Cl)ccc1F)CC1CC1 ZINC000652467656 418971315 /nfs/dbraw/zinc/97/13/15/418971315.db2.gz GTMOZHCSSFUMSB-UHFFFAOYSA-N -1 3 285.746 3.166 20 0 CGADHM O=C([O-])[C@@H]1CC12CCN(CCc1ccccc1Cl)CC2 ZINC000652479687 418972581 /nfs/dbraw/zinc/97/25/81/418972581.db2.gz XVWWSVJWBQXLLE-ZDUSSCGKSA-N -1 3 293.794 3.069 20 0 CGADHM CC[C@H](c1ccc(F)cc1F)N1CC[C@H](C(=O)[O-])[C@@H](C)C1 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SXMTZHCXBYYLRQ-UHFFFAOYSA-N -1 3 296.779 3.300 20 0 CGADHM C[C@H](CC(=O)N=c1cc2ccccn2[n-]1)c1cccc(F)c1 ZINC000553323923 289219287 /nfs/dbraw/zinc/21/92/87/289219287.db2.gz AWWPTHPPQUNNSF-GFCCVEGCSA-N -1 3 297.333 3.028 20 0 CGADHM CC(C)(C)c1ccccc1C(=O)N=c1cc2ccccn2[n-]1 ZINC000553330440 289219862 /nfs/dbraw/zinc/21/98/62/289219862.db2.gz BETTZFAMHGWCHB-UHFFFAOYSA-N -1 3 293.370 3.306 20 0 CGADHM Cc1ccc([C@@H]2CCCCN2Cc2ncccc2[O-])o1 ZINC000554855627 289314146 /nfs/dbraw/zinc/31/41/46/289314146.db2.gz UWWBYGGINNVSNB-AWEZNQCLSA-N -1 3 272.348 3.416 20 0 CGADHM C[C@H]1CCC[C@H](CNC(=O)c2c[n-]nc2-c2ccccn2)C1 ZINC000554993284 289322665 /nfs/dbraw/zinc/32/26/65/289322665.db2.gz WUSMZARSMMGJOK-STQMWFEESA-N -1 3 298.390 3.028 20 0 CGADHM CCCCO[C@@H](C)C(=O)Nc1c([O-])cccc1Cl ZINC000557183450 289434413 /nfs/dbraw/zinc/43/44/13/289434413.db2.gz INCHYXVPTDCZTK-VIFPVBQESA-N -1 3 271.744 3.189 20 0 CGADHM C(=Cc1nc(-c2ccc3n[n-]nc3c2)no1)c1ccsc1 ZINC000558891809 289525735 /nfs/dbraw/zinc/52/57/35/289525735.db2.gz JJVZEZUDKBNZNQ-RJRFIUFISA-N -1 3 295.327 3.240 20 0 CGADHM CCCC[C@@H](CCC)NC(=O)N=c1cc2ccccn2[n-]1 ZINC000562295050 289690045 /nfs/dbraw/zinc/69/00/45/289690045.db2.gz BAXWSPAEXIXHIM-CYBMUJFWSA-N -1 3 288.395 3.237 20 0 CGADHM COc1ccc([O-])c(C(=O)N(C(C)C)C2CC(C)(C)C2)c1 ZINC000457083594 295164357 /nfs/dbraw/zinc/16/43/57/295164357.db2.gz ZOBYSGVGIMXGBL-UHFFFAOYSA-N -1 3 291.391 3.440 20 0 CGADHM Cc1ccc(C(=O)N2[C@H](C)CCC[C@@H]2C)c([O-])c1C ZINC000436565342 301523926 /nfs/dbraw/zinc/52/39/26/301523926.db2.gz IYDRYFGJFXAZHC-TXEJJXNPSA-N -1 3 261.365 3.412 20 0 CGADHM COc1cc(C(=O)Nc2ccc(Cl)cc2[O-])ccc1F ZINC000153718715 321725187 /nfs/dbraw/zinc/72/51/87/321725187.db2.gz DLEKXKIZJWYJOC-UHFFFAOYSA-N -1 3 295.697 3.446 20 0 CGADHM [O-]c1cccc(CN2CCC[C@@H](F)C2)c1Br ZINC000563273896 321986891 /nfs/dbraw/zinc/98/68/91/321986891.db2.gz YSSAYPOLBWLEIS-SNVBAGLBSA-N -1 3 288.160 3.089 20 0 CGADHM CC(=O)c1ccc(C(=O)N(C)[C@H](C)C(C)(C)C)cc1[O-] ZINC000563870128 322013596 /nfs/dbraw/zinc/01/35/96/322013596.db2.gz HOCCFFXLBAPUFL-LLVKDONJSA-N -1 3 277.364 3.101 20 0 CGADHM CCc1cccc(-c2nc([C@](C)(OC)C3CC3)no2)c1[O-] ZINC000564451907 322031647 /nfs/dbraw/zinc/03/16/47/322031647.db2.gz MPXLGQQOFOVAJB-MRXNPFEDSA-N -1 3 288.347 3.276 20 0 CGADHM C[C@@H]1C[C@H]1c1ccc(CN(CCCC(=O)[O-])C2CC2)o1 ZINC000564752383 322041579 /nfs/dbraw/zinc/04/15/79/322041579.db2.gz KELBNZNYMOXXQP-BXUZGUMPSA-N -1 3 277.364 3.232 20 0 CGADHM C[C@H]1C[C@H](C)N(Cc2cc(C(=O)[O-])ccc2Cl)C1 ZINC000565103312 322060431 /nfs/dbraw/zinc/06/04/31/322060431.db2.gz DZZGDPNLKSWPBM-UWVGGRQHSA-N -1 3 267.756 3.269 20 0 CGADHM CC(C)[C@@H]1C[C@@H]1C(=O)Nc1c([O-])cccc1Cl ZINC000565197698 322066152 /nfs/dbraw/zinc/06/61/52/322066152.db2.gz AUUXQZQGYPBRBV-IUCAKERBSA-N -1 3 253.729 3.276 20 0 CGADHM C[C@H](c1ccc(C(=O)[O-])o1)N(C)CCc1ccc(F)cc1 ZINC000565485126 322079696 /nfs/dbraw/zinc/07/96/96/322079696.db2.gz AHWPGWDMOMQYTI-LLVKDONJSA-N -1 3 291.322 3.352 20 0 CGADHM CCO[C@@H](CC(=O)Nc1cccc([O-])c1F)C1=CCCC1 ZINC000565613651 322084492 /nfs/dbraw/zinc/08/44/92/322084492.db2.gz XLROUZGKEGTPGA-AWEZNQCLSA-N -1 3 293.338 3.375 20 0 CGADHM Cc1ccc(OC(F)F)c(CN2CCCC[C@@H]2C(=O)[O-])c1 ZINC000565957374 322098373 /nfs/dbraw/zinc/09/83/73/322098373.db2.gz OGEXPFPMFGARKV-GFCCVEGCSA-N -1 3 299.317 3.036 20 0 CGADHM CCCC[C@@H](C(=O)[O-])N(C)Cc1ccc(C)s1 ZINC000565958076 322098521 /nfs/dbraw/zinc/09/85/21/322098521.db2.gz WVVBABLEAIGXAM-LBPRGKRZSA-N -1 3 255.383 3.132 20 0 CGADHM COc1cc(Cl)ccc1CN1C[C@H](C(=O)[O-])CC[C@H]1C ZINC000566678018 322134240 /nfs/dbraw/zinc/13/42/40/322134240.db2.gz LWTGGWFIZLLUQB-ZYHUDNBSSA-N -1 3 297.782 3.034 20 0 CGADHM Cc1oc([C@@H](C)N2CC(C)(C)C[C@H]2C)cc1C(=O)[O-] ZINC000568062598 322190930 /nfs/dbraw/zinc/19/09/30/322190930.db2.gz JBXJBGNFIADXLS-NXEZZACHSA-N -1 3 265.353 3.468 20 0 CGADHM Cc1ccc(CN(C)CC[C@H](C(=O)[O-])c2ccccc2)o1 ZINC000569492774 322248904 /nfs/dbraw/zinc/24/89/04/322248904.db2.gz QRSXFOZUJPQQMV-INIZCTEOSA-N -1 3 287.359 3.278 20 0 CGADHM Cc1oc(CN(C)CCc2ccc(C)cc2)cc1C(=O)[O-] ZINC000569612115 322252017 /nfs/dbraw/zinc/25/20/17/322252017.db2.gz QRCRDSAKTXJQGO-UHFFFAOYSA-N -1 3 287.359 3.269 20 0 CGADHM Cc1cccnc1CN(CCCC(=O)[O-])Cc1ccccc1 ZINC000570456583 322274015 /nfs/dbraw/zinc/27/40/15/322274015.db2.gz FJQJPLMYYBESTM-UHFFFAOYSA-N -1 3 298.386 3.257 20 0 CGADHM [O-]c1cccnc1CN1CCC[C@@H]1c1cccc(F)c1 ZINC000570484710 322274394 /nfs/dbraw/zinc/27/43/94/322274394.db2.gz MLYBFGWJENCUPT-OAHLLOKOSA-N -1 3 272.323 3.263 20 0 CGADHM CCN(Cc1ccoc1C(=O)[O-])[C@H](C)Cc1ccsc1 ZINC000570521581 322275582 /nfs/dbraw/zinc/27/55/82/322275582.db2.gz GDNIHNFAXXDMLH-LLVKDONJSA-N -1 3 293.388 3.492 20 0 CGADHM CN(CCCCc1ccccc1)Cc1occc1C(=O)[O-] ZINC000571217542 322293059 /nfs/dbraw/zinc/29/30/59/322293059.db2.gz KGUKBGMWUKFWIY-UHFFFAOYSA-N -1 3 287.359 3.433 20 0 CGADHM CCC[C@@H]1CCCN(Cc2cc(C)c(C(=O)[O-])o2)C1 ZINC000571409253 322297990 /nfs/dbraw/zinc/29/79/90/322297990.db2.gz DNLUQYAASKOROD-GFCCVEGCSA-N -1 3 265.353 3.298 20 0 CGADHM CCN(CCC(=O)[O-])Cc1c(C)cc(C)c(C(C)=O)c1C ZINC000571410739 322298108 /nfs/dbraw/zinc/29/81/08/322298108.db2.gz WDUDIOZONDFTFP-UHFFFAOYSA-N -1 3 291.391 3.111 20 0 CGADHM CCC[C@H]1CCCN(Cc2cc(C)c(C(=O)[O-])o2)C1 ZINC000571409259 322298146 /nfs/dbraw/zinc/29/81/46/322298146.db2.gz DNLUQYAASKOROD-LBPRGKRZSA-N -1 3 265.353 3.298 20 0 CGADHM Cc1ccc(C(=O)N2CC[C@@](F)(c3ccccc3)C2)c([O-])c1 ZINC000571942855 322313111 /nfs/dbraw/zinc/31/31/11/322313111.db2.gz URXPAAUFXVTKDM-SFHVURJKSA-N -1 3 299.345 3.412 20 0 CGADHM CC[C@@H]1CCCN([C@H](C)c2cc(C(=O)[O-])c(C)o2)C1 ZINC000572413604 322336229 /nfs/dbraw/zinc/33/62/29/322336229.db2.gz LXLKWOAAODKRGR-ZYHUDNBSSA-N -1 3 265.353 3.469 20 0 CGADHM O=C([O-])[C@H]1CCCN(C/C=C/c2ccc(Cl)cc2)C1 ZINC000572850261 322358115 /nfs/dbraw/zinc/35/81/15/322358115.db2.gz KTLPGUUHPGGSMZ-CHWPNHQFSA-N -1 3 279.767 3.150 20 0 CGADHM CC[C@H]1CCC[C@@H]1c1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000573494493 322391216 /nfs/dbraw/zinc/39/12/16/322391216.db2.gz HRQXAINSCGDEGQ-ONGXEEELSA-N -1 3 283.335 3.302 20 0 CGADHM Cc1oc(CN(C)CC2(c3ccccc3)CC2)cc1C(=O)[O-] ZINC000583445989 327371519 /nfs/dbraw/zinc/37/15/19/327371519.db2.gz JGUNRDCAJMGBLW-UHFFFAOYSA-N -1 3 299.370 3.450 20 0 CGADHM O=C(Nc1cccc2ccsc21)c1cccc2nn[n-]c21 ZINC000582823950 329268919 /nfs/dbraw/zinc/26/89/19/329268919.db2.gz RVKWTQHVTBXGQL-UHFFFAOYSA-N -1 3 294.339 3.425 20 0 CGADHM O=C(Nc1cccc2ccsc21)c1cccc2[n-]nnc21 ZINC000582823950 329268921 /nfs/dbraw/zinc/26/89/21/329268921.db2.gz RVKWTQHVTBXGQL-UHFFFAOYSA-N -1 3 294.339 3.425 20 0 CGADHM O=C(Nc1cccc2ccsc21)c1cccc2n[n-]nc21 ZINC000582823950 329268922 /nfs/dbraw/zinc/26/89/22/329268922.db2.gz RVKWTQHVTBXGQL-UHFFFAOYSA-N -1 3 294.339 3.425 20 0 CGADHM Clc1ccc(-c2nc(-c3ccc4n[n-]nc4c3)no2)cc1 ZINC000584445344 329469860 /nfs/dbraw/zinc/46/98/60/329469860.db2.gz DNPFARRXXFTNIT-UHFFFAOYSA-N -1 3 297.705 3.328 20 0 CGADHM CC[C@@H](NCc1c(Cl)oc2ccccc21)C(=O)[O-] ZINC000580430396 330134295 /nfs/dbraw/zinc/13/42/95/330134295.db2.gz COCJDCULRGYFHP-SNVBAGLBSA-N -1 3 267.712 3.039 20 0 CGADHM C[C@@H]1CCN(C/C=C\c2ccc(F)c(F)c2)C[C@H]1C(=O)[O-] ZINC000580445338 330139395 /nfs/dbraw/zinc/13/93/95/330139395.db2.gz SVRZLIBEXNSYTJ-XFKWNRGUSA-N -1 3 295.329 3.021 20 0 CGADHM O=C(NCc1ccc([O-])c(F)c1)c1cccc(F)c1Cl ZINC000174207202 335150637 /nfs/dbraw/zinc/15/06/37/335150637.db2.gz FGGFPJNHYGKIOO-UHFFFAOYSA-N -1 3 297.688 3.254 20 0 CGADHM Cc1ccc(O[C@@H](C)C(=O)Nc2cc(F)ccc2[O-])cc1 ZINC000174904861 335169161 /nfs/dbraw/zinc/16/91/61/335169161.db2.gz HTAFDWCUIOXIKR-NSHDSACASA-N -1 3 289.306 3.246 20 0 CGADHM COc1cc(C(=O)Nc2cc(F)ccc2[O-])ccc1C ZINC000174903741 335169231 /nfs/dbraw/zinc/16/92/31/335169231.db2.gz CJNZWVOWOFHJHH-UHFFFAOYSA-N -1 3 275.279 3.101 20 0 CGADHM Cc1ccc(C(=O)N2C[C@@H](C)Oc3ccc(C)cc32)c([O-])c1 ZINC000175045266 335171821 /nfs/dbraw/zinc/17/18/21/335171821.db2.gz RCJZFDRSEIEPFY-CYBMUJFWSA-N -1 3 297.354 3.437 20 0 CGADHM Cc1ccc2ncc(CN3CCC(CC(=O)[O-])CC3)cc2c1 ZINC000576285960 335183246 /nfs/dbraw/zinc/18/32/46/335183246.db2.gz BEHILSHYVDTYBQ-UHFFFAOYSA-N -1 3 298.386 3.230 20 0 CGADHM COC(=O)c1cc(-c2nc(C3CCCCCC3)no2)c[n-]1 ZINC000576822793 335252162 /nfs/dbraw/zinc/25/21/62/335252162.db2.gz BVTDMTGIIDHXKW-UHFFFAOYSA-N -1 3 289.335 3.289 20 0 CGADHM CCN(CCc1ccccc1)[C@@H](C)c1nc(C)cc(=O)[n-]1 ZINC000192545902 335276461 /nfs/dbraw/zinc/27/64/61/335276461.db2.gz VFTLQVZTHVAGGB-AWEZNQCLSA-N -1 3 285.391 3.116 20 0 CGADHM CCC(C)(C)[C@@H](NCc1ccc(F)cc1Cl)C(=O)[O-] ZINC000577373589 335344091 /nfs/dbraw/zinc/34/40/91/335344091.db2.gz NKDSTBOTWXLGOB-LBPRGKRZSA-N -1 3 287.762 3.458 20 0 CGADHM C[C@H]1CCC[C@H](c2nc(-c3ccc4n[n-]nc4c3)no2)C1 ZINC000577638794 335384292 /nfs/dbraw/zinc/38/42/92/335384292.db2.gz BFRPEORXGOUJRN-ONGXEEELSA-N -1 3 283.335 3.302 20 0 CGADHM CCOc1cc(-c2noc(-c3ccnc(C)c3)n2)ccc1[O-] ZINC000350614370 335520998 /nfs/dbraw/zinc/52/09/98/335520998.db2.gz SQVQIJIXPKUUEY-UHFFFAOYSA-N -1 3 297.314 3.211 20 0 CGADHM CC(C)c1ccc(S(=O)(=O)[N-]c2ccncc2F)cc1 ZINC000180168678 335556114 /nfs/dbraw/zinc/55/61/14/335556114.db2.gz NZPYSMFYAGIJKG-UHFFFAOYSA-N -1 3 294.351 3.145 20 0 CGADHM Cc1ccc(-c2nc(-c3ccc4n[n-]nc4c3)no2)cc1C ZINC000579663029 335840542 /nfs/dbraw/zinc/84/05/42/335840542.db2.gz KQCAJAAZODFBKP-UHFFFAOYSA-N -1 3 291.314 3.292 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)N(C1CC1)C1CCCC1 ZINC000580873597 335977750 /nfs/dbraw/zinc/97/77/50/335977750.db2.gz IDOBWMYLUAAJQT-UHFFFAOYSA-N -1 3 277.339 3.007 20 0 CGADHM CC(C)[C@@]1(C(=O)[O-])CCN(Cc2sccc2Cl)C1 ZINC000380716924 336019488 /nfs/dbraw/zinc/01/94/88/336019488.db2.gz DVSHEJMFMFCFCC-CYBMUJFWSA-N -1 3 287.812 3.334 20 0 CGADHM C[C@@H](c1ccccc1)N(C)Cc1ccoc1C(=O)[O-] ZINC000383842655 336118518 /nfs/dbraw/zinc/11/85/18/336118518.db2.gz ORXYTUMCNSYKNA-NSHDSACASA-N -1 3 259.305 3.171 20 0 CGADHM CC[C@H](NCc1ncccc1[O-])c1ccc(C)cc1 ZINC000581752557 336142168 /nfs/dbraw/zinc/14/21/68/336142168.db2.gz HJBNMUAXMGTLKX-AWEZNQCLSA-N -1 3 256.349 3.337 20 0 CGADHM Cc1ccccc1CN(C)CCOc1cccc(C(=O)[O-])c1 ZINC000385881175 336159282 /nfs/dbraw/zinc/15/92/82/336159282.db2.gz LTHALDPISSBSDX-UHFFFAOYSA-N -1 3 299.370 3.204 20 0 CGADHM CCC(CC)CN(CC)Cc1nc(C(=O)[O-])cs1 ZINC000385982492 336163847 /nfs/dbraw/zinc/16/38/47/336163847.db2.gz OGIODTSKEDTPLH-UHFFFAOYSA-N -1 3 270.398 3.099 20 0 CGADHM COc1ccc(C(=O)NCC[C@H](C)c2ccccc2)c([O-])c1 ZINC000387295122 336191269 /nfs/dbraw/zinc/19/12/69/336191269.db2.gz BXWRQQSUHDUCFH-ZDUSSCGKSA-N -1 3 299.370 3.324 20 0 CGADHM Cc1cccc(CNC(=O)c2ccc(C)c(C)c2[O-])c1 ZINC000048560978 500983333 /nfs/dbraw/zinc/98/33/33/500983333.db2.gz XUKXZELQVFHHDZ-UHFFFAOYSA-N -1 3 269.344 3.247 20 0 CGADHM CS[C@@H]1CCC[C@@H](N=c2[n-]c(C(C)=O)c(C)s2)C1 ZINC000450342725 533945990 /nfs/dbraw/zinc/94/59/90/533945990.db2.gz UBPMUKUXSYVGSO-GHMZBOCLSA-N -1 3 284.450 3.162 20 0 CGADHM Cc1cc(-c2nc(-c3ccc([O-])cc3)no2)nn1C(C)(C)C ZINC000436768265 533999366 /nfs/dbraw/zinc/99/93/66/533999366.db2.gz ITRXHZZHMNYIQL-UHFFFAOYSA-N -1 3 298.346 3.369 20 0 CGADHM COc1ccc(NC(=O)C[C@H]2C=CCCC2)c([O-])c1 ZINC000333015021 534093139 /nfs/dbraw/zinc/09/31/39/534093139.db2.gz BXWFYRFZASEOHM-NSHDSACASA-N -1 3 261.321 3.086 20 0 CGADHM C[C@]1(CNC(=O)c2cccc([O-])c2)C[C@@H]1c1ccccc1 ZINC000355047830 534174680 /nfs/dbraw/zinc/17/46/80/534174680.db2.gz KPXCHWRYXACEGQ-SJLPKXTDSA-N -1 3 281.355 3.316 20 0 CGADHM COc1ccc(OC)c(-c2noc(-c3ccccc3[O-])n2)c1 ZINC000436999217 534221298 /nfs/dbraw/zinc/22/12/98/534221298.db2.gz MDMVYCWYMSAFHY-UHFFFAOYSA-N -1 3 298.298 3.126 20 0 CGADHM Cc1ccc(C(=O)NC2(c3ccccc3F)CC2)c([O-])c1 ZINC000436535976 534262858 /nfs/dbraw/zinc/26/28/58/534262858.db2.gz MJCZTLSFCHVOCS-UHFFFAOYSA-N -1 3 285.318 3.259 20 0 CGADHM Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1cccc(C)c1[O-] ZINC000436676722 534416200 /nfs/dbraw/zinc/41/62/00/534416200.db2.gz SIIDQFMYDJIQLN-INIZCTEOSA-N -1 3 281.355 3.426 20 0 CGADHM Cc1ccc2c(c1)CN(C(=O)c1ccc(C)cc1[O-])C2 ZINC000436604079 534425171 /nfs/dbraw/zinc/42/51/71/534425171.db2.gz NTZPSTPMZWRMTI-UHFFFAOYSA-N -1 3 267.328 3.165 20 0 CGADHM [O-]c1ccc(-c2noc(-c3csc(C4CC4)n3)n2)cc1 ZINC000436766594 534449743 /nfs/dbraw/zinc/44/97/43/534449743.db2.gz DPRJPVWSQWLACI-UHFFFAOYSA-N -1 3 285.328 3.443 20 0 CGADHM CC1CCC(N(C)Cc2nc(=O)c3sccc3[n-]2)CC1 ZINC000049356177 520937470 /nfs/dbraw/zinc/93/74/70/520937470.db2.gz BBWNQZGJVMPYQT-UHFFFAOYSA-N -1 3 291.420 3.407 20 0 CGADHM Cc1cccc(C(=O)N2CC[C@@]3(CC[C@H](C)C3)C2)c1[O-] ZINC000436703706 534597632 /nfs/dbraw/zinc/59/76/32/534597632.db2.gz JIMMZPNFEVAOKS-YVEFUNNKSA-N -1 3 273.376 3.353 20 0 CGADHM Cc1cccc(C(=O)N[C@@H]2CCCO[C@@H]2CC(C)C)c1[O-] ZINC000436561859 534616534 /nfs/dbraw/zinc/61/65/34/534616534.db2.gz KWOVGHISLOCQNX-HUUCEWRRSA-N -1 3 291.391 3.024 20 0 CGADHM CC[C@H]1CCCN(Cc2ccc(C(=O)[O-])cc2F)C1 ZINC000062752359 523090632 /nfs/dbraw/zinc/09/06/32/523090632.db2.gz MNGIHBDIEFJNHH-NSHDSACASA-N -1 3 265.328 3.146 20 0 CGADHM O=C(c1ccccc1[O-])N1CCS[C@H](c2ccccc2)C1 ZINC000365387760 534749561 /nfs/dbraw/zinc/74/95/61/534749561.db2.gz FKMBEQSGTTWJGM-INIZCTEOSA-N -1 3 299.395 3.323 20 0 CGADHM Cc1cccc(C2(C(=O)[N-]C3=NCCS3)CCCC2)c1 ZINC000102600563 524328532 /nfs/dbraw/zinc/32/85/32/524328532.db2.gz FNJAXJNTZRJVNI-UHFFFAOYSA-N -1 3 288.416 3.026 20 0 CGADHM Cc1cccc([C@@H]2CCCN2C(=O)c2cccc(C)c2[O-])n1 ZINC000151000809 524848282 /nfs/dbraw/zinc/84/82/82/524848282.db2.gz CETWUEOZGYIDIU-INIZCTEOSA-N -1 3 296.370 3.381 20 0 CGADHM CSc1ccc(CN[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000050509283 526004308 /nfs/dbraw/zinc/00/43/08/526004308.db2.gz FYUUPIKUWJWMAM-OAHLLOKOSA-N -1 3 287.384 3.324 20 0 CGADHM Cc1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2C)c([O-])c1 ZINC000055482056 526065552 /nfs/dbraw/zinc/06/55/52/526065552.db2.gz KUMGTIKSWKOLSB-GXTWGEPZSA-N -1 3 261.365 3.351 20 0 CGADHM Cc1ccc(C(=O)N[C@H](C)C2CCCCC2)c([O-])c1 ZINC000052343697 526208252 /nfs/dbraw/zinc/20/82/52/526208252.db2.gz CXJFNWJHAQDOAT-GFCCVEGCSA-N -1 3 261.365 3.399 20 0 CGADHM [O-]c1cc2ccccc2cc1-c1nc([C@H]2CCCO2)no1 ZINC000087803793 526338408 /nfs/dbraw/zinc/33/84/08/526338408.db2.gz ACGIFWMTOTZOML-CQSZACIVSA-N -1 3 282.299 3.447 20 0 CGADHM CC(C)(C)[C@@H](CC(=O)[O-])NCc1ccsc1Cl ZINC000426836005 526611416 /nfs/dbraw/zinc/61/14/16/526611416.db2.gz SKKSXUSGIYPSCJ-SECBINFHSA-N -1 3 275.801 3.381 20 0 CGADHM [O-]C(=NOCc1ccccc1)Nc1nc(C2CC2)cs1 ZINC000049209285 526849330 /nfs/dbraw/zinc/84/93/30/526849330.db2.gz LJGSWJSMSVHJJT-UHFFFAOYSA-N -1 3 289.360 3.274 20 0 CGADHM O=C([N-]OCc1ccccc1)Nc1nc(C2CC2)cs1 ZINC000049209285 526849336 /nfs/dbraw/zinc/84/93/36/526849336.db2.gz LJGSWJSMSVHJJT-UHFFFAOYSA-N -1 3 289.360 3.274 20 0 CGADHM CC(=O)c1ccc(C(=O)N[C@H](C)c2ccccc2)cc1[O-] ZINC000436845666 527264650 /nfs/dbraw/zinc/26/46/50/527264650.db2.gz FCBPZKTVKFIKHY-LLVKDONJSA-N -1 3 283.327 3.086 20 0 CGADHM Cc1nn(C(C)(C)C)cc1C(=O)Nc1cc(F)ccc1[O-] ZINC000183780463 527582089 /nfs/dbraw/zinc/58/20/89/527582089.db2.gz FLHYYAZRVGWPNQ-UHFFFAOYSA-N -1 3 291.326 3.044 20 0 CGADHM CC(C)CCC[C@H](C)NC(=O)Cc1ccc([O-])c(F)c1 ZINC000448648645 527706002 /nfs/dbraw/zinc/70/60/02/527706002.db2.gz RGJKNKLCIZVCGI-LBPRGKRZSA-N -1 3 281.371 3.405 20 0 CGADHM CCN=c1[n-]c(C(=O)N2CCC[C@@H]2CCC(C)C)cs1 ZINC000427119027 527998424 /nfs/dbraw/zinc/99/84/24/527998424.db2.gz DVKSSJVRNGOOCK-GFCCVEGCSA-N -1 3 295.452 3.038 20 0 CGADHM CC(C)c1cc(C(=O)Nc2cc(Cl)ccc2[O-])on1 ZINC000436524757 528039757 /nfs/dbraw/zinc/03/97/57/528039757.db2.gz KQRCUENGTZEWFA-UHFFFAOYSA-N -1 3 280.711 3.409 20 0 CGADHM CC(C)c1ccc(-c2nc(-c3ncccn3)no2)c([O-])c1 ZINC000436889459 528052167 /nfs/dbraw/zinc/05/21/67/528052167.db2.gz BXNOUUDJFUVGPO-UHFFFAOYSA-N -1 3 282.303 3.023 20 0 CGADHM CC(C)[C@@H](C(=O)[O-])[C@H](C)NCc1ncc(C(C)(C)C)s1 ZINC000424626617 528377097 /nfs/dbraw/zinc/37/70/97/528377097.db2.gz UIOJVUQYWWYQLX-GXFFZTMASA-N -1 3 298.452 3.276 20 0 CGADHM CC(C)[C@@H](C(=O)[O-])[C@@H](C)NCc1ncc(C(C)(C)C)s1 ZINC000424626619 528377144 /nfs/dbraw/zinc/37/71/44/528377144.db2.gz UIOJVUQYWWYQLX-ZWNOBZJWSA-N -1 3 298.452 3.276 20 0 CGADHM CC(C)c1nnc([N-]C(=O)c2scnc2C(C)C)s1 ZINC000448761723 528458280 /nfs/dbraw/zinc/45/82/80/528458280.db2.gz QIPVAWVRUFYVIW-UHFFFAOYSA-N -1 3 296.421 3.494 20 0 CGADHM CC(C)Cc1c[nH]c(C(=O)Nc2cc(F)ccc2[O-])c1 ZINC000412153124 528636758 /nfs/dbraw/zinc/63/67/58/528636758.db2.gz BCCSDAJTDOEQHZ-UHFFFAOYSA-N -1 3 276.311 3.310 20 0 CGADHM CCCCOc1ccc(C(=O)N[C@H]2CC[C@H](F)C2)c([O-])c1 ZINC000436743980 528668631 /nfs/dbraw/zinc/66/86/31/528668631.db2.gz ILJNHCGWXGJGQO-RYUDHWBXSA-N -1 3 295.354 3.192 20 0 CGADHM CC1(C(=O)Nc2ccc(OC(F)(F)F)cc2[O-])CCC1 ZINC000442931688 528859567 /nfs/dbraw/zinc/85/95/67/528859567.db2.gz KMDMDHLIJDYRSU-UHFFFAOYSA-N -1 3 289.253 3.420 20 0 CGADHM CCCn1nccc1NC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000436967533 528897050 /nfs/dbraw/zinc/89/70/50/528897050.db2.gz ZCWZYDDTPLPLSV-UHFFFAOYSA-N -1 3 299.374 3.130 20 0 CGADHM CCSCC[C@H](C)NC(=O)c1cc(CC)ccc1[O-] ZINC000440699652 529194672 /nfs/dbraw/zinc/19/46/72/529194672.db2.gz COIDMEITEPMWOL-NSHDSACASA-N -1 3 281.421 3.216 20 0 CGADHM CC(C)Oc1ccccc1CN1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000518373795 535061277 /nfs/dbraw/zinc/06/12/77/535061277.db2.gz AEKZGJGCAIBEDT-HIFRSBDPSA-N -1 3 291.391 3.016 20 0 CGADHM CCc1cc(C(=O)N2CC[C@H](C(C)(C)C)C2)ccc1[O-] ZINC000486999350 536113038 /nfs/dbraw/zinc/11/30/38/536113038.db2.gz MHMITHXQJJDEKC-AWEZNQCLSA-N -1 3 275.392 3.463 20 0 CGADHM COc1cccc(C(=O)N2C[C@H](C(C)C)[C@H]2C(C)C)c1[O-] ZINC000456286008 537083651 /nfs/dbraw/zinc/08/36/51/537083651.db2.gz JVVMBFYXRQADGE-UKRRQHHQSA-N -1 3 291.391 3.153 20 0 CGADHM O=[S@@](C[C@H]1CCCCC1(F)F)c1cccc([O-])c1 ZINC000335647666 571726339 /nfs/dbraw/zinc/72/63/39/571726339.db2.gz PZYXDGFKVKTCAI-MGNBDDOMSA-N -1 3 274.332 3.325 20 0 CGADHM CC[C@@H](c1ccc(F)cc1)N1CCC(N(C)C(=O)[O-])CC1 ZINC000737782356 571797717 /nfs/dbraw/zinc/79/77/17/571797717.db2.gz FNWWJAJRDOSTFY-HNNXBMFYSA-N -1 3 294.370 3.351 20 0 CGADHM O=C([O-])c1ccc(CN2CCC3(CCCCC3)CC2)nc1 ZINC000094762709 571941682 /nfs/dbraw/zinc/94/16/82/571941682.db2.gz WZXDKIFWBHVHII-UHFFFAOYSA-N -1 3 288.391 3.326 20 0 CGADHM O=C(Nc1nc(-c2ccc[nH]2)cs1)c1cc2occc2[n-]1 ZINC000750866033 572330529 /nfs/dbraw/zinc/33/05/29/572330529.db2.gz XEMTXSFWSSTSOA-UHFFFAOYSA-N -1 3 298.327 3.465 20 0 CGADHM O=C(CC1=CCCCC1)Nc1n[n-]c(-c2cccs2)n1 ZINC000730276189 572334380 /nfs/dbraw/zinc/33/43/80/572334380.db2.gz HOLHUCQLMRQRTA-UHFFFAOYSA-N -1 3 288.376 3.362 20 0 CGADHM Fc1cc(-c2nnn[n-]2)ccc1SCC1CCCC1 ZINC000737645217 572360063 /nfs/dbraw/zinc/36/00/63/572360063.db2.gz SEEDKDBDJOFKSO-UHFFFAOYSA-N -1 3 278.356 3.288 20 0 CGADHM Fc1cc(-c2nn[n-]n2)ccc1SCC1CCCC1 ZINC000737645217 572360068 /nfs/dbraw/zinc/36/00/68/572360068.db2.gz SEEDKDBDJOFKSO-UHFFFAOYSA-N -1 3 278.356 3.288 20 0 CGADHM Fc1cc(-c2nnn[n-]2)ccc1S[C@H]1C=CCCC1 ZINC000737643920 572360311 /nfs/dbraw/zinc/36/03/11/572360311.db2.gz HWKLYJKCYJDCNT-JTQLQIEISA-N -1 3 276.340 3.207 20 0 CGADHM Fc1cc(-c2nn[n-]n2)ccc1S[C@H]1C=CCCC1 ZINC000737643920 572360314 /nfs/dbraw/zinc/36/03/14/572360314.db2.gz HWKLYJKCYJDCNT-JTQLQIEISA-N -1 3 276.340 3.207 20 0 CGADHM C[C@@H](NC[C@@H]1CCCN(C(=O)[O-])C1)c1ccc(F)cc1F ZINC000739034810 572399767 /nfs/dbraw/zinc/39/97/67/572399767.db2.gz MOLPFNIUDQCBIQ-MNOVXSKESA-N -1 3 298.333 3.005 20 0 CGADHM O=C([O-])[C@H](NCc1coc2ccccc12)c1ccc(F)cc1 ZINC000739503871 572417629 /nfs/dbraw/zinc/41/76/29/572417629.db2.gz BLHLBVFKSKIKPF-MRXNPFEDSA-N -1 3 299.301 3.487 20 0 CGADHM Cc1cccc(CO[N-]C(=O)CCOc2ccccc2)c1 ZINC000731842566 572429003 /nfs/dbraw/zinc/42/90/03/572429003.db2.gz ZWPANFVUFMURGS-UHFFFAOYSA-N -1 3 285.343 3.012 20 0 CGADHM O=C(C[C@@H]1CCc2ccccc2C1)[N-]OCc1ccccc1 ZINC000732549889 572471702 /nfs/dbraw/zinc/47/17/02/572471702.db2.gz GPYZXNMQHLYXJZ-MRXNPFEDSA-N -1 3 295.382 3.430 20 0 CGADHM Cc1nc(CCC(=O)Nc2ccc(C)cc2[O-])cs1 ZINC000733356637 572558977 /nfs/dbraw/zinc/55/89/77/572558977.db2.gz VLFFZLBZMGOOOD-UHFFFAOYSA-N -1 3 276.361 3.037 20 0 CGADHM C[C@@H](NC(=O)c1ccccc1[O-])c1nc2ccccc2s1 ZINC000734110731 572628538 /nfs/dbraw/zinc/62/85/38/572628538.db2.gz GLKFVMTZFZNOHE-SNVBAGLBSA-N -1 3 298.367 3.493 20 0 CGADHM CC(C)CS[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000735851160 572745401 /nfs/dbraw/zinc/74/54/01/572745401.db2.gz YLHKEOHEDZDNPF-JTQLQIEISA-N -1 3 262.382 3.317 20 0 CGADHM CC(C)CS[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000735851160 572745405 /nfs/dbraw/zinc/74/54/05/572745405.db2.gz YLHKEOHEDZDNPF-JTQLQIEISA-N -1 3 262.382 3.317 20 0 CGADHM C[C@H](N(C)c1ccc(-c2nnn[n-]2)c(Cl)c1)C(C)(C)C ZINC000736096461 572768136 /nfs/dbraw/zinc/76/81/36/572768136.db2.gz MKUOXLAUAINTIU-VIFPVBQESA-N -1 3 293.802 3.391 20 0 CGADHM C[C@H](N(C)c1ccc(-c2nn[n-]n2)c(Cl)c1)C(C)(C)C ZINC000736096461 572768141 /nfs/dbraw/zinc/76/81/41/572768141.db2.gz MKUOXLAUAINTIU-VIFPVBQESA-N -1 3 293.802 3.391 20 0 CGADHM C[C@@H](Sc1ccccn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736193201 572771068 /nfs/dbraw/zinc/77/10/68/572771068.db2.gz QGZRPIIDBKYJKJ-SNVBAGLBSA-N -1 3 283.360 3.115 20 0 CGADHM C[C@@H](Sc1ccccn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736193201 572771072 /nfs/dbraw/zinc/77/10/72/572771072.db2.gz QGZRPIIDBKYJKJ-SNVBAGLBSA-N -1 3 283.360 3.115 20 0 CGADHM CC(C)=CCN[C@@H](C(=O)[O-])c1ccccc1C(F)(F)F ZINC000736343312 572782453 /nfs/dbraw/zinc/78/24/53/572782453.db2.gz FCWCXLKBSWWVTP-GFCCVEGCSA-N -1 3 287.281 3.387 20 0 CGADHM CCCCC[C@@H](C)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC000736442688 572792518 /nfs/dbraw/zinc/79/25/18/572792518.db2.gz YKVBVBPTZCFQBD-SECBINFHSA-N -1 3 294.790 3.296 20 0 CGADHM CCCCC[C@@H](C)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC000736442688 572792521 /nfs/dbraw/zinc/79/25/21/572792521.db2.gz YKVBVBPTZCFQBD-SECBINFHSA-N -1 3 294.790 3.296 20 0 CGADHM CCCc1csc(Nc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000736494456 572795726 /nfs/dbraw/zinc/79/57/26/572795726.db2.gz CIPLEBBCUKGNHG-UHFFFAOYSA-N -1 3 286.364 3.019 20 0 CGADHM CCCc1csc(Nc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000736494456 572795729 /nfs/dbraw/zinc/79/57/29/572795729.db2.gz CIPLEBBCUKGNHG-UHFFFAOYSA-N -1 3 286.364 3.019 20 0 CGADHM Cc1cccc(C(=O)N[C@H](c2ccccn2)C(C)C)c1[O-] ZINC000736508281 572796642 /nfs/dbraw/zinc/79/66/42/572796642.db2.gz UYNLCDFHJYOJSC-HNNXBMFYSA-N -1 3 284.359 3.223 20 0 CGADHM CC[C@H](Nc1cccc2c1CN([C@@H](C)C(C)C)C2)C(=O)[O-] ZINC000736926163 572826150 /nfs/dbraw/zinc/82/61/50/572826150.db2.gz ZSNPDBYJFWEYOU-WFASDCNBSA-N -1 3 290.407 3.322 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)COC2(C)CCC2)c1[O-] ZINC000746292722 572864863 /nfs/dbraw/zinc/86/48/63/572864863.db2.gz BGTYKGUMDMYADX-UHFFFAOYSA-N -1 3 283.755 3.252 20 0 CGADHM Cc1ccccc1CC(C)(C)[N-]C(=O)C(F)(F)C(F)F ZINC000749377261 572995465 /nfs/dbraw/zinc/99/54/65/572995465.db2.gz ZYFBNQDMHSMQKZ-UHFFFAOYSA-N -1 3 291.288 3.333 20 0 CGADHM c1cc(-c2nn[n-]n2)ccc1N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000823742965 599056319 /nfs/dbraw/zinc/05/63/19/599056319.db2.gz OMHGFNYNFWOFNW-NJZAAPMLSA-N -1 3 283.379 3.247 20 0 CGADHM c1cc(-c2nn[n-]n2)ccc1N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000823742964 599056438 /nfs/dbraw/zinc/05/64/38/599056438.db2.gz OMHGFNYNFWOFNW-CORIIIEPSA-N -1 3 283.379 3.247 20 0 CGADHM CCCc1ccc(NCc2ccc(-c3nnn[n-]3)s2)cc1 ZINC000821142999 607308849 /nfs/dbraw/zinc/30/88/49/607308849.db2.gz NSKHZPNXJOHCOA-UHFFFAOYSA-N -1 3 299.403 3.493 20 0 CGADHM Cc1ccc(C)c(NCc2cc(-c3nnn[n-]3)cs2)c1 ZINC000822231858 607310813 /nfs/dbraw/zinc/31/08/13/607310813.db2.gz JSGPNRZOHZPQOT-UHFFFAOYSA-N -1 3 285.376 3.157 20 0 CGADHM Cc1ccc(C)c(NCc2cc(-c3nn[n-]n3)cs2)c1 ZINC000822231858 607310814 /nfs/dbraw/zinc/31/08/14/607310814.db2.gz JSGPNRZOHZPQOT-UHFFFAOYSA-N -1 3 285.376 3.157 20 0 CGADHM C[C@H](CC(=O)[O-])N[C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000820071984 598163514 /nfs/dbraw/zinc/16/35/14/598163514.db2.gz MEDUYKBZZKFTBD-MNOVXSKESA-N -1 3 290.388 3.324 20 0 CGADHM CC[C@@H](NCc1cccc(C(=O)[O-])c1)c1ccncc1 ZINC000263423809 598203990 /nfs/dbraw/zinc/20/39/90/598203990.db2.gz PVPGHWGAIDTQJW-OAHLLOKOSA-N -1 3 270.332 3.021 20 0 CGADHM CCC(CC)SCc1cc(-c2nnn[n-]2)ccc1OC ZINC000820897490 607378694 /nfs/dbraw/zinc/37/86/94/607378694.db2.gz GUCVIHLYLSRUFW-UHFFFAOYSA-N -1 3 292.408 3.297 20 0 CGADHM CCC(CC)SCc1cc(-c2nn[n-]n2)ccc1OC ZINC000820897490 607378696 /nfs/dbraw/zinc/37/86/96/607378696.db2.gz GUCVIHLYLSRUFW-UHFFFAOYSA-N -1 3 292.408 3.297 20 0 CGADHM Cc1ccc([C@@H](C)CNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737322302 599531441 /nfs/dbraw/zinc/53/14/41/599531441.db2.gz XQHBVMWYSUMFNY-ZDUSSCGKSA-N -1 3 293.374 3.391 20 0 CGADHM CC[C@@H](C)CN(C)c1c(Cl)cccc1-c1nnn[n-]1 ZINC000820870082 599546626 /nfs/dbraw/zinc/54/66/26/599546626.db2.gz MPEXLJJOPSGSQN-SECBINFHSA-N -1 3 279.775 3.002 20 0 CGADHM CC[C@@H](C)CN(C)c1c(Cl)cccc1-c1nn[n-]n1 ZINC000820870082 599546628 /nfs/dbraw/zinc/54/66/28/599546628.db2.gz MPEXLJJOPSGSQN-SECBINFHSA-N -1 3 279.775 3.002 20 0 CGADHM CC[C@@H]1c2ccsc2CCN1C/C=C(/C)C(=O)[O-] ZINC000829170093 601050788 /nfs/dbraw/zinc/05/07/88/601050788.db2.gz KDVNYQHRFFAJNR-GFSSTFBJSA-N -1 3 265.378 3.088 20 0 CGADHM CCOc1cc(C)ccc1CN[C@@H](C(=O)[O-])c1ccccc1 ZINC000830044590 601644083 /nfs/dbraw/zinc/64/40/83/601644083.db2.gz ODBFQSCJSGECHA-QGZVFWFLSA-N -1 3 299.370 3.309 20 0 CGADHM O=C([O-])c1cc(CNC2(c3ccc(F)cc3)CCC2)c[nH]1 ZINC000833296584 601832898 /nfs/dbraw/zinc/83/28/98/601832898.db2.gz JNFPYBCQEUEQPP-UHFFFAOYSA-N -1 3 288.322 3.021 20 0 CGADHM COc1ccc(CS[C@H](C)C(C)C)cc1-c1nnn[n-]1 ZINC000826207602 607550843 /nfs/dbraw/zinc/55/08/43/607550843.db2.gz VBCWTTILOQATPQ-SNVBAGLBSA-N -1 3 292.408 3.153 20 0 CGADHM COc1ccc(CS[C@H](C)C(C)C)cc1-c1nn[n-]n1 ZINC000826207602 607550844 /nfs/dbraw/zinc/55/08/44/607550844.db2.gz VBCWTTILOQATPQ-SNVBAGLBSA-N -1 3 292.408 3.153 20 0 CGADHM Cc1ccc(CNCc2ccc(NC(=O)[O-])nc2)c(C)c1 ZINC000830324849 603539722 /nfs/dbraw/zinc/53/97/22/603539722.db2.gz VREGKWPDCQTWBJ-UHFFFAOYSA-N -1 3 285.347 3.078 20 0 CGADHM Cc1cccc2c1CC[C@H]2NCc1ccc(NC(=O)[O-])nc1 ZINC000830538401 603549572 /nfs/dbraw/zinc/54/95/72/603549572.db2.gz DTNMTUBVNUMDFI-OAHLLOKOSA-N -1 3 297.358 3.257 20 0 CGADHM CN(Cc1cc2ccccc2o1)C1(C(=O)[O-])CCCC1 ZINC000394239177 604458661 /nfs/dbraw/zinc/45/86/61/604458661.db2.gz RPPKKWPEXMZWGV-UHFFFAOYSA-N -1 3 273.332 3.262 20 0 CGADHM CC(C)(C)C1=CCN(Cc2ccc(C(=O)[O-])o2)CC1 ZINC000382493060 604771008 /nfs/dbraw/zinc/77/10/08/604771008.db2.gz GVASASMGAWDTDS-UHFFFAOYSA-N -1 3 263.337 3.156 20 0 CGADHM CC1(C)CN([C@H](C(=O)[O-])c2cccnc2)Cc2ccccc21 ZINC000833560410 604777460 /nfs/dbraw/zinc/77/74/60/604777460.db2.gz SLVUIYXBSNTGOV-INIZCTEOSA-N -1 3 296.370 3.001 20 0 CGADHM CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2cc(F)ccc2F)C1 ZINC000157988671 604939255 /nfs/dbraw/zinc/93/92/55/604939255.db2.gz FYKPRMPIASCKLI-LBPRGKRZSA-N -1 3 297.345 3.288 20 0 CGADHM CN(Cc1ccc(C(=O)[O-])[nH]1)[C@@H]1CCCc2ccccc21 ZINC000833696816 605102412 /nfs/dbraw/zinc/10/24/12/605102412.db2.gz VAWWDMNQNOOMLE-MRXNPFEDSA-N -1 3 284.359 3.222 20 0 CGADHM O=c1cc(C=Cc2cnn(C3CCC3)c2)nc(C2CC2)[n-]1 ZINC000899373840 620681658 /nfs/dbraw/zinc/68/16/58/620681658.db2.gz KGHRINPIVJRDOG-QPJJXVBHSA-N -1 3 282.347 3.152 20 0 CGADHM Cc1ccc([C@H](C)Nc2ccc(-c3nnn[n-]3)nc2)cc1C ZINC000822229518 606064002 /nfs/dbraw/zinc/06/40/02/606064002.db2.gz WHONJKMAZLWCSH-LBPRGKRZSA-N -1 3 294.362 3.052 20 0 CGADHM Cc1ccc([C@H](C)Nc2ccc(-c3nn[n-]n3)nc2)cc1C ZINC000822229518 606064008 /nfs/dbraw/zinc/06/40/08/606064008.db2.gz WHONJKMAZLWCSH-LBPRGKRZSA-N -1 3 294.362 3.052 20 0 CGADHM Cc1cccc(NCc2cc(-c3nnn[n-]3)cs2)c1C ZINC000822324129 606212136 /nfs/dbraw/zinc/21/21/36/606212136.db2.gz WFRKUTPRQKUHIU-UHFFFAOYSA-N -1 3 285.376 3.157 20 0 CGADHM Cc1cccc(NCc2cc(-c3nn[n-]n3)cs2)c1C ZINC000822324129 606212137 /nfs/dbraw/zinc/21/21/37/606212137.db2.gz WFRKUTPRQKUHIU-UHFFFAOYSA-N -1 3 285.376 3.157 20 0 CGADHM CCC[C@H]1C[C@@H]1Nc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000821039508 606420170 /nfs/dbraw/zinc/42/01/70/606420170.db2.gz CWDUISNRGUPHGO-HZMBPMFUSA-N -1 3 294.362 3.015 20 0 CGADHM CCC[C@H]1C[C@@H]1Nc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000821039508 606420171 /nfs/dbraw/zinc/42/01/71/606420171.db2.gz CWDUISNRGUPHGO-HZMBPMFUSA-N -1 3 294.362 3.015 20 0 CGADHM Cc1ccc(Oc2ncccc2-c2nnn[n-]2)c(Cl)c1 ZINC000822267094 606433065 /nfs/dbraw/zinc/43/30/65/606433065.db2.gz OITMIDXIDNPFQD-UHFFFAOYSA-N -1 3 287.710 3.016 20 0 CGADHM Cc1cccc(Cl)c1NCc1cccc(-c2nnn[n-]2)c1 ZINC000822303729 606639029 /nfs/dbraw/zinc/63/90/29/606639029.db2.gz HDSWUWMNFHZAQI-UHFFFAOYSA-N -1 3 299.765 3.441 20 0 CGADHM Cc1cccc(Cl)c1NCc1cccc(-c2nn[n-]n2)c1 ZINC000822303729 606639030 /nfs/dbraw/zinc/63/90/30/606639030.db2.gz HDSWUWMNFHZAQI-UHFFFAOYSA-N -1 3 299.765 3.441 20 0 CGADHM CSc1ccccc1NCc1ccc(-c2nnn[n-]2)cc1 ZINC000821989854 606658481 /nfs/dbraw/zinc/65/84/81/606658481.db2.gz MLNDINYWIGCEPG-UHFFFAOYSA-N -1 3 297.387 3.201 20 0 CGADHM CSc1ccccc1NCc1ccc(-c2nn[n-]n2)cc1 ZINC000821989854 606658482 /nfs/dbraw/zinc/65/84/82/606658482.db2.gz MLNDINYWIGCEPG-UHFFFAOYSA-N -1 3 297.387 3.201 20 0 CGADHM Cc1ccc(CSc2ccc(-c3nnn[n-]3)cn2)cc1C ZINC000822239863 606946845 /nfs/dbraw/zinc/94/68/45/606946845.db2.gz IDNJPMKCPYHYKM-UHFFFAOYSA-N -1 3 297.387 3.171 20 0 CGADHM Cc1ccc(CSc2ccc(-c3nn[n-]n3)cn2)cc1C ZINC000822239863 606946846 /nfs/dbraw/zinc/94/68/46/606946846.db2.gz IDNJPMKCPYHYKM-UHFFFAOYSA-N -1 3 297.387 3.171 20 0 CGADHM C[C@@H](SCc1ccccn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824756857 609183487 /nfs/dbraw/zinc/18/34/87/609183487.db2.gz QWNJWZDXHCYZGI-LLVKDONJSA-N -1 3 297.387 3.256 20 0 CGADHM C[C@@H](SCc1ccccn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824756857 609183488 /nfs/dbraw/zinc/18/34/88/609183488.db2.gz QWNJWZDXHCYZGI-LLVKDONJSA-N -1 3 297.387 3.256 20 0 CGADHM Cc1ccc(F)cc1N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826289709 609272702 /nfs/dbraw/zinc/27/27/02/609272702.db2.gz KCUZDBVVEIJSJH-LLVKDONJSA-N -1 3 297.337 3.487 20 0 CGADHM Cc1ccc(F)cc1N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826289709 609272703 /nfs/dbraw/zinc/27/27/03/609272703.db2.gz KCUZDBVVEIJSJH-LLVKDONJSA-N -1 3 297.337 3.487 20 0 CGADHM C[C@@H](Nc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000095248092 617814562 /nfs/dbraw/zinc/81/45/62/617814562.db2.gz MPEDTRNXZMEBTI-LLVKDONJSA-N -1 3 265.320 3.040 20 0 CGADHM C[C@@H](Nc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000095248092 617814564 /nfs/dbraw/zinc/81/45/64/617814564.db2.gz MPEDTRNXZMEBTI-LLVKDONJSA-N -1 3 265.320 3.040 20 0 CGADHM O=C(CCCc1ccc([O-])c(F)c1)NC1CCC=CCC1 ZINC000899804203 620728588 /nfs/dbraw/zinc/72/85/88/620728588.db2.gz IZRREAALSGPWTQ-UHFFFAOYSA-N -1 3 291.366 3.469 20 0 CGADHM Cc1ccccc1[C@@H](C)[N-]C(=O)C(F)(F)C(F)F ZINC000175749823 617676409 /nfs/dbraw/zinc/67/64/09/617676409.db2.gz CKYPFBHKJOLPHX-MRVPVSSYSA-N -1 3 263.234 3.073 20 0 CGADHM Cc1oc(C(C)(C)C)cc1CN[C@@H]1C=C[C@@H](C(=O)[O-])C1 ZINC000900042123 620751293 /nfs/dbraw/zinc/75/12/93/620751293.db2.gz QSZUNWAHFDBZDB-DGCLKSJQSA-N -1 3 277.364 3.004 20 0 CGADHM CC(C)c1c[nH]c(CNCCCCC2(C(=O)[O-])CCC2)n1 ZINC000900084475 620759184 /nfs/dbraw/zinc/75/91/84/620759184.db2.gz ROFDQMNDNYSAPC-UHFFFAOYSA-N -1 3 293.411 3.048 20 0 CGADHM CC1(C)C(C)(C)C1(C)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000891160380 618002805 /nfs/dbraw/zinc/00/28/05/618002805.db2.gz BTPTWOWUOWMDDP-UHFFFAOYSA-N -1 3 298.386 3.083 20 0 CGADHM Cc1oc(NC(=O)c2cccc(C)c2[O-])nc1C1CC1 ZINC000892508736 618823433 /nfs/dbraw/zinc/82/34/33/618823433.db2.gz JBQIFXOGGQRQEY-UHFFFAOYSA-N -1 3 272.304 3.127 20 0 CGADHM O=C(NCc1ccc([O-])c(F)c1)N1CC[C@H]1C1CCCC1 ZINC000893113485 618998082 /nfs/dbraw/zinc/99/80/82/618998082.db2.gz JGVIJXYYCSFEDY-AWEZNQCLSA-N -1 3 292.354 3.005 20 0 CGADHM Cc1ccc(CCC(=O)[N-]OCc2ccc(F)cc2)cc1 ZINC000184246009 619050346 /nfs/dbraw/zinc/05/03/46/619050346.db2.gz LMMYBTXDSDSBCQ-UHFFFAOYSA-N -1 3 287.334 3.315 20 0 CGADHM O=C(CC1CCCCCC1)[N-]OCCC(F)(F)F ZINC000162592607 619114404 /nfs/dbraw/zinc/11/44/04/619114404.db2.gz MHOHUWNJNUUYIK-UHFFFAOYSA-N -1 3 267.291 3.347 20 0 CGADHM Cc1nc(N[C@H](C)CCCC(F)(F)F)cc(=O)[n-]1 ZINC000893479718 619189056 /nfs/dbraw/zinc/18/90/56/619189056.db2.gz BNHXIULCNAVTND-SSDOTTSWSA-N -1 3 263.263 3.024 20 0 CGADHM [O-]c1ccc(Cl)cc1CN1CCOC2(CCCC2)C1 ZINC000093589024 619204622 /nfs/dbraw/zinc/20/46/22/619204622.db2.gz OOECVBPSBFKINO-UHFFFAOYSA-N -1 3 281.783 3.191 20 0 CGADHM C[C@@H](C1CC1)n1cc(NCc2ccc([O-])c(F)c2)cn1 ZINC000893700433 619288909 /nfs/dbraw/zinc/28/89/09/619288909.db2.gz MHXHNTOHKWBZQE-JTQLQIEISA-N -1 3 275.327 3.311 20 0 CGADHM O=C(c1ccccc1[O-])N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000894386580 619513285 /nfs/dbraw/zinc/51/32/85/619513285.db2.gz KAROKMZTAOMJCD-HZMBPMFUSA-N -1 3 299.292 3.197 20 0 CGADHM O=C([N-]Cc1ccco1)C(F)(F)c1cccc(Cl)c1 ZINC000049275515 619722057 /nfs/dbraw/zinc/72/20/57/619722057.db2.gz LKQIDSDHQZOEHB-UHFFFAOYSA-N -1 3 285.677 3.341 20 0 CGADHM CC(C)(C)c1nnc([N-][C@H]2c3ccccc3OC[C@@H]2F)o1 ZINC000895555949 619849661 /nfs/dbraw/zinc/84/96/61/619849661.db2.gz RKKJYZITIZQZKX-JQWIXIFHSA-N -1 3 291.326 3.251 20 0 CGADHM CC(C)Oc1ccc(CNCc2cccc(C(=O)[O-])c2)cc1 ZINC000262717267 620257249 /nfs/dbraw/zinc/25/72/49/620257249.db2.gz SRXQDFQOUKOTLO-UHFFFAOYSA-N -1 3 299.370 3.462 20 0 CGADHM Cc1[n-]n(Cc2ccc(Cl)cc2)c(=O)c1C(C)C ZINC000109362647 620281543 /nfs/dbraw/zinc/28/15/43/620281543.db2.gz JVYKYMBCCHTCDS-CYBMUJFWSA-N -1 3 264.756 3.330 20 0 CGADHM CC(C)(C)CCCCC(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898220575 620489622 /nfs/dbraw/zinc/48/96/22/620489622.db2.gz AAPMBDDCPINMSO-GFCCVEGCSA-N -1 3 293.411 3.038 20 0 CGADHM CC(C)c1ccc(C(=O)N(C)Cc2ccns2)c([O-])c1 ZINC000898617977 620599681 /nfs/dbraw/zinc/59/96/81/620599681.db2.gz NOQGBWURLQNXMZ-UHFFFAOYSA-N -1 3 290.388 3.244 20 0 CGADHM CCc1ccc(OC(=O)c2cc(C(F)F)[n-]n2)c(OC)c1 ZINC000901250944 620846583 /nfs/dbraw/zinc/84/65/83/620846583.db2.gz WLWLSBLHRMFJHA-UHFFFAOYSA-N -1 3 296.273 3.138 20 0 CGADHM CSC(C)(C)CCN[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC000901908547 621066200 /nfs/dbraw/zinc/06/62/00/621066200.db2.gz VCQBFIXICQFAHT-QMMMGPOBSA-N -1 3 288.438 3.024 20 0 CGADHM Cc1ccccc1C1CC(NCc2cc(C(=O)[O-])co2)C1 ZINC000901958035 621080467 /nfs/dbraw/zinc/08/04/67/621080467.db2.gz VGHAKUFNIACHEA-UHFFFAOYSA-N -1 3 285.343 3.322 20 0 CGADHM CC(C)[C@H](NCc1ccoc1C(=O)[O-])c1ccccc1 ZINC000902081584 621129009 /nfs/dbraw/zinc/12/90/09/621129009.db2.gz IJGXNHJKNVVMOM-AWEZNQCLSA-N -1 3 273.332 3.465 20 0 CGADHM C[C@H]1[C@H](N[C@@H](CF)c2ccc(F)cc2)CC[C@H]1CC(=O)[O-] ZINC000902187385 621179356 /nfs/dbraw/zinc/17/93/56/621179356.db2.gz RXCRZTBIDBSNDT-BQPHKTIFSA-N -1 3 297.345 3.315 20 0 CGADHM C[C@@H]1C[C@H](N[C@@H](CF)c2ccc(F)cc2)CC[C@@H]1C(=O)[O-] ZINC000902191909 621188612 /nfs/dbraw/zinc/18/86/12/621188612.db2.gz UOFJHRBXAWIUEC-RABLLNBGSA-N -1 3 297.345 3.315 20 0 CGADHM CC[C@@](C)(NCc1cccc(C(=O)[O-])n1)c1ccccc1 ZINC000902236672 621206933 /nfs/dbraw/zinc/20/69/33/621206933.db2.gz UXKXKHIBGKBEJZ-QGZVFWFLSA-N -1 3 284.359 3.195 20 0 CGADHM CCc1nc([C@H](C)NC2CCC(CC(=O)[O-])CC2)cs1 ZINC000902251829 621207733 /nfs/dbraw/zinc/20/77/33/621207733.db2.gz AHEDQTBATCARFW-UNXYVOJBSA-N -1 3 296.436 3.390 20 0 CGADHM O=C([O-])c1cc(CNCCOC2CCCCCC2)cs1 ZINC000902258276 621212355 /nfs/dbraw/zinc/21/23/55/621212355.db2.gz QULNGVGAKMFJHA-UHFFFAOYSA-N -1 3 297.420 3.275 20 0 CGADHM CC(C)(CNCc1cc(C(=O)[O-])no1)C1CCCCC1 ZINC000902329926 621265830 /nfs/dbraw/zinc/26/58/30/621265830.db2.gz GIJRBEHFWVVBRT-UHFFFAOYSA-N -1 3 280.368 3.069 20 0 CGADHM Cc1ccc2c(c1)[C@@H](NCc1ccoc1C(=O)[O-])[C@H](C)C2 ZINC000902417257 621309839 /nfs/dbraw/zinc/30/98/39/621309839.db2.gz LKAJLTWFUWGDGW-ABAIWWIYSA-N -1 3 285.343 3.309 20 0 CGADHM CO[C@@]1(C)CCCN(Cc2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC000902428201 621314639 /nfs/dbraw/zinc/31/46/39/621314639.db2.gz LJQDIHCFXICJMO-HNNXBMFYSA-N -1 3 297.782 3.039 20 0 CGADHM CC(C)(CNCc1ccc(/C=C\C(=O)[O-])o1)C(C)(F)F ZINC000902498974 621345716 /nfs/dbraw/zinc/34/57/16/621345716.db2.gz YLNPQIYFHSOXTC-SREVYHEPSA-N -1 3 287.306 3.148 20 0 CGADHM Cc1oc(CN2C[C@H]3C[C@@]3(c3ccccc3)C2)cc1C(=O)[O-] ZINC000902549301 621372284 /nfs/dbraw/zinc/37/22/84/621372284.db2.gz KDYRHOUWWVHHDM-KDOFPFPSSA-N -1 3 297.354 3.060 20 0 CGADHM O=C(CCC1CCCCC1)[N-]OCc1ccns1 ZINC000902704614 621404037 /nfs/dbraw/zinc/40/40/37/621404037.db2.gz HIVJDDDVALQZEE-UHFFFAOYSA-N -1 3 268.382 3.051 20 0 CGADHM COc1cc(C)cc(CNCc2ccc(C(=O)[O-])s2)c1 ZINC000903680444 621787727 /nfs/dbraw/zinc/78/77/27/621787727.db2.gz BPNIFSWXXPCOJV-UHFFFAOYSA-N -1 3 291.372 3.053 20 0 CGADHM CC(C)(/C=C\Cl)NCc1ccc(C(=O)[O-])s1 ZINC000903710900 621797380 /nfs/dbraw/zinc/79/73/80/621797380.db2.gz UVPCGSPTDOIFGY-WAYWQWQTSA-N -1 3 259.758 3.067 20 0 CGADHM O=C([O-])[C@@H]1C[C@H]1CN(Cc1ccco1)Cc1cccs1 ZINC000903884952 621826982 /nfs/dbraw/zinc/82/69/82/621826982.db2.gz DSEJBAUDSFZSIM-SMDDNHRTSA-N -1 3 291.372 3.064 20 0 CGADHM O=C([O-])c1ccc2c(c1)CN(CCc1cccc(F)c1)CC2 ZINC000903901479 621830450 /nfs/dbraw/zinc/83/04/50/621830450.db2.gz JVSSOUZNNFTHRF-UHFFFAOYSA-N -1 3 299.345 3.125 20 0 CGADHM CCc1nc(CN2[C@H](C)C[C@H](C)[C@@H](C(=O)[O-])[C@H]2C)cs1 ZINC000903950557 621841011 /nfs/dbraw/zinc/84/10/11/621841011.db2.gz QRKVZJQZLPVBBD-ICUOPCATSA-N -1 3 296.436 3.025 20 0 CGADHM Cc1cc(CN[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])sn1 ZINC000904002916 621848022 /nfs/dbraw/zinc/84/80/22/621848022.db2.gz GXPUHQFWDVYJPJ-RISCZKNCSA-N -1 3 290.388 3.003 20 0 CGADHM CCC[C@H](CNCc1nocc1C(=O)[O-])c1ccccc1 ZINC000904023508 621853007 /nfs/dbraw/zinc/85/30/07/621853007.db2.gz ILODPRUXRTWENN-CYBMUJFWSA-N -1 3 288.347 3.046 20 0 CGADHM O=C([O-])c1ccc(CN[C@@H](c2ccncc2)C2CC2)cc1 ZINC000904272568 621896937 /nfs/dbraw/zinc/89/69/37/621896937.db2.gz GYOBABQKQBYWFR-MRXNPFEDSA-N -1 3 282.343 3.021 20 0 CGADHM CC(C)c1cnc(CN[C@@H](CC(=O)[O-])C(C)(C)C)s1 ZINC000905790341 622110192 /nfs/dbraw/zinc/11/01/92/622110192.db2.gz RIEGYKCKPBEURE-NSHDSACASA-N -1 3 284.425 3.246 20 0 CGADHM C[C@@H](c1noc(-c2cc(=O)[n-]c(C3CC3)n2)n1)C(C)(C)C ZINC000906100337 622146007 /nfs/dbraw/zinc/14/60/07/622146007.db2.gz CISIJKIVKSNIKU-QMMMGPOBSA-N -1 3 288.351 3.259 20 0 CGADHM O=C(Cc1coc2c1ccc(F)c2F)[N-]OC1CCCC1 ZINC000907220859 622287670 /nfs/dbraw/zinc/28/76/70/622287670.db2.gz LNEVULXCJABSHP-UHFFFAOYSA-N -1 3 295.285 3.244 20 0 CGADHM C/C=C\C[C@H]1CCCN(C(=O)c2c([O-])cccc2OC)C1 ZINC000913354123 622761480 /nfs/dbraw/zinc/76/14/80/622761480.db2.gz ZMOVIJSKXOTCNJ-SCOBNMCVSA-N -1 3 289.375 3.219 20 0 CGADHM CN(Cc1cc(Cl)ccc1Cl)C(C)(C)C(=O)[O-] ZINC000087761561 623198989 /nfs/dbraw/zinc/19/89/89/623198989.db2.gz TYYHLKBRTNIGCL-UHFFFAOYSA-N -1 3 276.163 3.288 20 0 CGADHM O=S(=O)(Cc1ccccc1)[N-]N=C1CCCCCCC1 ZINC000063427491 623323893 /nfs/dbraw/zinc/32/38/93/623323893.db2.gz YGIXGDAXDAQKQY-UHFFFAOYSA-N -1 3 294.420 3.206 20 0 CGADHM COCCCCCO[N-]C(=O)CCC1CCCCC1 ZINC000174145079 623365306 /nfs/dbraw/zinc/36/53/06/623365306.db2.gz NUJTXUYLTIHROR-UHFFFAOYSA-N -1 3 271.401 3.211 20 0 CGADHM Cc1csc([C@H](C)NCc2ccc([O-])c(F)c2)n1 ZINC000232422802 623388063 /nfs/dbraw/zinc/38/80/63/623388063.db2.gz KCUVBFDLIRNHOD-VIFPVBQESA-N -1 3 266.341 3.147 20 0 CGADHM C/C(=C\c1ccccc1Cl)C(=O)[N-]OCC(F)F ZINC000760145334 623607432 /nfs/dbraw/zinc/60/74/32/623607432.db2.gz AEWDHXZRNPSOMY-SOFGYWHQSA-N -1 3 275.682 3.056 20 0 CGADHM C[C@@H]1C[C@H](CC(=O)[N-]OCc2cccnc2)CC(C)(C)C1 ZINC000152447778 623662276 /nfs/dbraw/zinc/66/22/76/623662276.db2.gz AISFIRLVDWIFBH-UKRRQHHQSA-N -1 3 290.407 3.482 20 0 CGADHM CCC[C@@H](C)CCNC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000914368437 623718195 /nfs/dbraw/zinc/71/81/95/623718195.db2.gz RPQLXSCXRWWTGC-GFCCVEGCSA-N -1 3 286.375 3.084 20 0 CGADHM Cc1ccnc(S[C@H](C)c2nc(C)cc(=O)[n-]2)c1 ZINC000918801779 624375711 /nfs/dbraw/zinc/37/57/11/624375711.db2.gz RVKNWCUDOAUGOM-SNVBAGLBSA-N -1 3 261.350 3.047 20 0 CGADHM Cc1ccc(-c2cc(C(=O)OCCC(C)C)n[n-]2)o1 ZINC000919328606 624401627 /nfs/dbraw/zinc/40/16/27/624401627.db2.gz QFBQGGCUYLCHHI-UHFFFAOYSA-N -1 3 262.309 3.181 20 0 CGADHM Cc1ccc(-c2cc(C(=O)OCCC(C)C)[n-]n2)o1 ZINC000919328606 624401629 /nfs/dbraw/zinc/40/16/29/624401629.db2.gz QFBQGGCUYLCHHI-UHFFFAOYSA-N -1 3 262.309 3.181 20 0 CGADHM O=C([N-]c1ccon1)c1cnc(-c2ccccc2F)s1 ZINC000179523530 624662174 /nfs/dbraw/zinc/66/21/74/624662174.db2.gz WBLXBXBOOVHXKH-UHFFFAOYSA-N -1 3 289.291 3.190 20 0 CGADHM CCN(Cc1ccccn1)Cc1cccc(Cl)c1[O-] ZINC000180200380 624726748 /nfs/dbraw/zinc/72/67/48/624726748.db2.gz WQJQBEWTKJQAIR-UHFFFAOYSA-N -1 3 276.767 3.463 20 0 CGADHM O=C(Nc1ncccc1[O-])c1cc2ccccc2c(Cl)n1 ZINC000181063289 624801668 /nfs/dbraw/zinc/80/16/68/624801668.db2.gz XQWNWGZXRIXDOH-UHFFFAOYSA-N -1 3 299.717 3.241 20 0 CGADHM O=C(Cc1ccc(Cl)cc1)[N-]OCc1ccc(F)cc1 ZINC000184196590 625210686 /nfs/dbraw/zinc/21/06/86/625210686.db2.gz NJMKLERGZBEWAH-UHFFFAOYSA-N -1 3 293.725 3.270 20 0 CGADHM O=C(CCc1cccs1)[N-]OCc1ccc(F)cc1 ZINC000184218598 625213317 /nfs/dbraw/zinc/21/33/17/625213317.db2.gz FVGLNPYXXXVLOW-UHFFFAOYSA-N -1 3 279.336 3.068 20 0 CGADHM CC(C)C[C@H](C)OCCC(=O)[N-]OCc1ccc(F)cc1 ZINC000184254364 625215627 /nfs/dbraw/zinc/21/56/27/625215627.db2.gz OCFLECLRPNMGOS-ZDUSSCGKSA-N -1 3 297.370 3.215 20 0 CGADHM CCc1cccc(C(=O)N2CC[C@@H](O)c3ccccc32)c1[O-] ZINC000889263495 625834332 /nfs/dbraw/zinc/83/43/32/625834332.db2.gz AALOCAZZUIBEPT-MRXNPFEDSA-N -1 3 297.354 3.039 20 0 CGADHM Cc1cc(COC(=O)Cc2ccc([O-])c(F)c2)c(C)s1 ZINC000838143137 626196608 /nfs/dbraw/zinc/19/66/08/626196608.db2.gz UBKAZMZXGMNMRO-UHFFFAOYSA-N -1 3 294.347 3.496 20 0 CGADHM Nc1ccc(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)c([O-])c1 ZINC000753263392 626449408 /nfs/dbraw/zinc/44/94/08/626449408.db2.gz RSJAZKQQMCHUFC-SGMGOOAPSA-N -1 3 288.391 3.063 20 0 CGADHM Cc1cc(=O)[n-]c(CSc2nc3ccccc3s2)n1 ZINC000754458485 626572366 /nfs/dbraw/zinc/57/23/66/626572366.db2.gz QOPYOVKSXIVAQG-UHFFFAOYSA-N -1 3 289.385 3.393 20 0 CGADHM CCCOc1ccc(CNCc2ccccc2C(=O)[O-])cc1 ZINC000874045006 634508526 /nfs/dbraw/zinc/50/85/26/634508526.db2.gz NTDOZKPZHQTPEP-UHFFFAOYSA-N -1 3 299.370 3.463 20 0 CGADHM CCc1cccc(C(=O)Nc2cccc(C(C)(C)O)c2)c1[O-] ZINC000760891143 627000903 /nfs/dbraw/zinc/00/09/03/627000903.db2.gz GGXLQZRWPOEECC-UHFFFAOYSA-N -1 3 299.370 3.434 20 0 CGADHM CCC[C@@H](C)c1noc(-c2cc3c(cc2[O-])OCO3)n1 ZINC000761841298 627065436 /nfs/dbraw/zinc/06/54/36/627065436.db2.gz DDKFYNWWFWPDEU-MRVPVSSYSA-N -1 3 276.292 3.075 20 0 CGADHM CCCCCCOCC(=O)Nc1cccc([O-])c1F ZINC000762321154 627105477 /nfs/dbraw/zinc/10/54/77/627105477.db2.gz VZSGIWSWUBUHIC-UHFFFAOYSA-N -1 3 269.316 3.067 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)Cc1cccc2ccccc21 ZINC000764553075 627212143 /nfs/dbraw/zinc/21/21/43/627212143.db2.gz PTBSJLVLVUIAGI-ZDUSSCGKSA-N -1 3 271.360 3.476 20 0 CGADHM CC(C)[C@H]1CCC[C@@H]([N-]C(=O)C(F)(F)F)CC1 ZINC000769634845 627570383 /nfs/dbraw/zinc/57/03/83/627570383.db2.gz VGQOGCOCLMIVRT-VHSXEESVSA-N -1 3 251.292 3.270 20 0 CGADHM Cc1cccnc1COC(=O)c1cc(F)cc(Cl)c1[O-] ZINC000771985817 627752909 /nfs/dbraw/zinc/75/29/09/627752909.db2.gz NERIIKHZWKKBAG-UHFFFAOYSA-N -1 3 295.697 3.245 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])C1(F)CCCC1 ZINC000773455925 627885149 /nfs/dbraw/zinc/88/51/49/627885149.db2.gz RSXMMHJWGHVPNC-UHFFFAOYSA-N -1 3 257.692 3.266 20 0 CGADHM Cc1ccccc1[C@H](C)CC(=O)[N-]OC1CCCC1 ZINC000774868632 628044421 /nfs/dbraw/zinc/04/44/21/628044421.db2.gz WWOPRBIIGSLHRU-CYBMUJFWSA-N -1 3 261.365 3.479 20 0 CGADHM O=C(Cc1c[nH]c2ccc(Cl)cc12)[N-]OC1CCCC1 ZINC000774876827 628046723 /nfs/dbraw/zinc/04/67/23/628046723.db2.gz ZCUVXUYTWXFWMC-UHFFFAOYSA-N -1 3 292.766 3.354 20 0 CGADHM CSC(C)(C)COC(=O)c1cc(-c2ccc(C)o2)[n-]n1 ZINC000775318251 628081679 /nfs/dbraw/zinc/08/16/79/628081679.db2.gz TWIAOKOCGYTJJG-UHFFFAOYSA-N -1 3 294.376 3.277 20 0 CGADHM CSC(C)(C)COC(=O)c1cc(-c2ccc(C)o2)n[n-]1 ZINC000775318251 628081684 /nfs/dbraw/zinc/08/16/84/628081684.db2.gz TWIAOKOCGYTJJG-UHFFFAOYSA-N -1 3 294.376 3.277 20 0 CGADHM C[C@@H](OC(=O)c1cccc(Cl)c1[O-])c1ccncc1 ZINC000775935677 628151350 /nfs/dbraw/zinc/15/13/50/628151350.db2.gz NAVAYJDROZQGFV-SECBINFHSA-N -1 3 277.707 3.359 20 0 CGADHM Cc1ccc(C(=O)CCC(=O)[N-]OC2CCCCC2)s1 ZINC000777962617 628315429 /nfs/dbraw/zinc/31/54/29/628315429.db2.gz UYNQLXKFHSMREM-UHFFFAOYSA-N -1 3 295.404 3.400 20 0 CGADHM C[C@@H](CCC(C)(C)C)C(=O)[N-]OCCC(F)(F)F ZINC000779325462 628408134 /nfs/dbraw/zinc/40/81/34/628408134.db2.gz MMQXUNLWXDDHGJ-VIFPVBQESA-N -1 3 269.307 3.449 20 0 CGADHM Cc1cc(C(F)(F)F)ccc1C=C1SC(=O)[N-]C1=O ZINC000874928545 634653910 /nfs/dbraw/zinc/65/39/10/634653910.db2.gz PFGFHVDOUJCLEJ-WEVVVXLNSA-N -1 3 287.262 3.338 20 0 CGADHM Cc1cc(F)c(C=C2SC(=O)[N-]C2=O)c(Cl)c1 ZINC000874929502 634653997 /nfs/dbraw/zinc/65/39/97/634653997.db2.gz FTFSTTKNBJTPKG-WTKPLQERSA-N -1 3 271.700 3.111 20 0 CGADHM Cc1cc2cc[nH]c2cc1NC([O-])=NO[C@H]1CCCCO1 ZINC000782089209 628615177 /nfs/dbraw/zinc/61/51/77/628615177.db2.gz WWEDSFZVQGXGOG-AWEZNQCLSA-N -1 3 289.335 3.056 20 0 CGADHM Cc1cc2cc[nH]c2cc1NC(=O)[N-]O[C@H]1CCCCO1 ZINC000782089209 628615180 /nfs/dbraw/zinc/61/51/80/628615180.db2.gz WWEDSFZVQGXGOG-AWEZNQCLSA-N -1 3 289.335 3.056 20 0 CGADHM CC[C@H](C)N(OC)C(=O)c1cc([O-])c2ccccc2c1 ZINC000810601580 628665675 /nfs/dbraw/zinc/66/56/75/628665675.db2.gz BMJLOGPSZIMMMN-NSHDSACASA-N -1 3 273.332 3.348 20 0 CGADHM O=C(OCc1cccc(F)c1F)c1cc2occc2[n-]1 ZINC000786032559 628908805 /nfs/dbraw/zinc/90/88/05/628908805.db2.gz JQARDMUICZKBMS-UHFFFAOYSA-N -1 3 277.226 3.396 20 0 CGADHM CCc1ccc(C(=O)COC(=O)c2cc3occc3[n-]2)cc1 ZINC000786030709 628908934 /nfs/dbraw/zinc/90/89/34/628908934.db2.gz XCNWFDYNBPVGFX-UHFFFAOYSA-N -1 3 297.310 3.363 20 0 CGADHM CCc1ccc(C(=O)Nc2ccc(N(C)C)cc2)c([O-])c1 ZINC000786729465 628959875 /nfs/dbraw/zinc/95/98/75/628959875.db2.gz ZFCCIFAVVIHDKC-UHFFFAOYSA-N -1 3 284.359 3.273 20 0 CGADHM CSCC[C@@H](C)NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000787013902 628976605 /nfs/dbraw/zinc/97/66/05/628976605.db2.gz VFHMLVHZVDWJJJ-LLVKDONJSA-N -1 3 299.411 3.112 20 0 CGADHM O=C([N-]OC1CCCCC1)C12CC(C(F)(F)F)(C1)C2 ZINC000787305639 629007653 /nfs/dbraw/zinc/00/76/53/629007653.db2.gz COIIUGLALPLDMW-UHFFFAOYSA-N -1 3 277.286 3.100 20 0 CGADHM CC[C@H](C)COC(=O)CCCc1ccc([O-])c(F)c1 ZINC000787842848 629031852 /nfs/dbraw/zinc/03/18/52/629031852.db2.gz DDCYNXOOHMOCBN-NSHDSACASA-N -1 3 268.328 3.443 20 0 CGADHM CC[C@@H](C)OC(=O)CCCc1ccc([O-])c(F)c1 ZINC000787841976 629032105 /nfs/dbraw/zinc/03/21/05/629032105.db2.gz CYEFTHQELOEODN-SNVBAGLBSA-N -1 3 254.301 3.196 20 0 CGADHM CC(C)CCOC(=O)CCCc1ccc([O-])c(F)c1 ZINC000787846364 629032716 /nfs/dbraw/zinc/03/27/16/629032716.db2.gz WADJJIGDPGFQTR-UHFFFAOYSA-N -1 3 268.328 3.443 20 0 CGADHM O=C(Cc1cccc(C(F)F)c1)[N-]OCCC(F)(F)F ZINC000790567372 629217788 /nfs/dbraw/zinc/21/77/88/629217788.db2.gz GYFMCPQEZOKYBS-UHFFFAOYSA-N -1 3 297.223 3.167 20 0 CGADHM O=C(N[C@@H]1CCC(F)(F)C1)c1cc([O-])c2ccccc2c1 ZINC000792230822 629350820 /nfs/dbraw/zinc/35/08/20/629350820.db2.gz GAXCMKLBEMETPF-GFCCVEGCSA-N -1 3 291.297 3.463 20 0 CGADHM [O-]c1ccc(F)c(CN2CC(Cc3cccs3)C2)c1F ZINC000862538655 629394977 /nfs/dbraw/zinc/39/49/77/629394977.db2.gz BWXDQJVUNOBJIQ-UHFFFAOYSA-N -1 3 295.354 3.406 20 0 CGADHM C/C(=C/CN1CCC[C@@H](c2ccc(F)c(F)c2)C1)C(=O)[O-] ZINC000863471539 629581583 /nfs/dbraw/zinc/58/15/83/629581583.db2.gz VDVBYJUDQHZFCV-TUOYRWMMSA-N -1 3 295.329 3.175 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)Cc1coc2cc(C)ccc12 ZINC000794843552 629586737 /nfs/dbraw/zinc/58/67/37/629586737.db2.gz RYNQSFQYQJRPIE-NSHDSACASA-N -1 3 275.348 3.378 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)CCC(=O)c1cc(C)sc1C ZINC000794853538 629588360 /nfs/dbraw/zinc/58/83/60/629588360.db2.gz RPIVUGSVYZXTFU-SNVBAGLBSA-N -1 3 297.420 3.422 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)CCc1cn(C)c2ccccc12 ZINC000794864619 629591576 /nfs/dbraw/zinc/59/15/76/629591576.db2.gz MKXPQIKKRRAXAZ-CYBMUJFWSA-N -1 3 288.391 3.205 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)C[C@H](C)C(=O)c1cccc(F)c1 ZINC000794868830 629592633 /nfs/dbraw/zinc/59/26/33/629592633.db2.gz FROYEBRPWWTEKL-RYUDHWBXSA-N -1 3 295.354 3.129 20 0 CGADHM CC(C)CC[C@@H](N)c1nc(-c2ccc([O-])cc2F)no1 ZINC000863671084 629640445 /nfs/dbraw/zinc/64/04/45/629640445.db2.gz WBLYFPMOFQWZTE-GFCCVEGCSA-N -1 3 279.315 3.017 20 0 CGADHM Cc1sccc1CNCc1cccc(CCC(=O)[O-])c1 ZINC000864518369 629851099 /nfs/dbraw/zinc/85/10/99/629851099.db2.gz HWCHHKUKEILAOK-UHFFFAOYSA-N -1 3 289.400 3.364 20 0 CGADHM CCc1ccccc1[C@H](CC(=O)[O-])NCc1ccoc1 ZINC000864528114 629854970 /nfs/dbraw/zinc/85/49/70/629854970.db2.gz LYVZBOOMEHVPFQ-HNNXBMFYSA-N -1 3 273.332 3.148 20 0 CGADHM Cc1cccc(C)c1COC(=O)c1cc(F)cc2[n-]nnc21 ZINC000800262793 630256804 /nfs/dbraw/zinc/25/68/04/630256804.db2.gz UEROZIXVXJDYQY-UHFFFAOYSA-N -1 3 299.305 3.071 20 0 CGADHM Cc1cccc(C)c1COC(=O)c1cc(F)cc2nn[n-]c21 ZINC000800262793 630256806 /nfs/dbraw/zinc/25/68/06/630256806.db2.gz UEROZIXVXJDYQY-UHFFFAOYSA-N -1 3 299.305 3.071 20 0 CGADHM Cc1cccc(C)c1COC(=O)c1cc(F)cc2n[n-]nc21 ZINC000800262793 630256808 /nfs/dbraw/zinc/25/68/08/630256808.db2.gz UEROZIXVXJDYQY-UHFFFAOYSA-N -1 3 299.305 3.071 20 0 CGADHM Cc1ncsc1CCOC(=O)c1cccc(Cl)c1[O-] ZINC000803420444 630476089 /nfs/dbraw/zinc/47/60/89/630476089.db2.gz HQESYZRGYVNHLA-UHFFFAOYSA-N -1 3 297.763 3.210 20 0 CGADHM CCc1cc(NC(=O)c2cc([O-])c3ccccc3c2)n[nH]1 ZINC000810204861 630853841 /nfs/dbraw/zinc/85/38/41/630853841.db2.gz GMFBGEPOGRCAAU-UHFFFAOYSA-N -1 3 281.315 3.083 20 0 CGADHM Cc1ccc(C(=O)CCC(=O)[N-]OC/C=C\Cl)cc1C ZINC000812406358 631247312 /nfs/dbraw/zinc/24/73/12/631247312.db2.gz QFUVEVJYAHFROB-BAQGIRSFSA-N -1 3 295.766 3.067 20 0 CGADHM O=C([N-]OC/C=C\Cl)C1(Cc2cccc(F)c2)CCC1 ZINC000812407183 631248686 /nfs/dbraw/zinc/24/86/86/631248686.db2.gz LFRDPGFRYYOBKR-BAQGIRSFSA-N -1 3 297.757 3.339 20 0 CGADHM [O-]c1ccc(F)c(CNc2ccc3c(c2)CCO3)c1F ZINC000816552015 632008448 /nfs/dbraw/zinc/00/84/48/632008448.db2.gz YEOUCSJAXUTIEV-UHFFFAOYSA-N -1 3 277.270 3.217 20 0 CGADHM CC(=O)c1cccc(NC(=O)/C=C2/CC[C@@H](C)C2)c1[O-] ZINC000816621004 632027331 /nfs/dbraw/zinc/02/73/31/632027331.db2.gz UVHOEFODLOHZCI-WJEYQPDNSA-N -1 3 273.332 3.280 20 0 CGADHM C[C@H](CC(=O)[N-]Oc1ccccc1)c1ccccc1F ZINC000816684863 632043207 /nfs/dbraw/zinc/04/32/07/632043207.db2.gz UCCJINLVSJECOG-GFCCVEGCSA-N -1 3 273.307 3.430 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)C12CC(c3ccccc3)(C1)C2 ZINC000816976530 632065820 /nfs/dbraw/zinc/06/58/20/632065820.db2.gz FOQGQXPBPLTZRS-IGEOTXOUSA-N -1 3 273.376 3.202 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)[C@@]1(C)CCc2ccccc2C1 ZINC000816980388 632068945 /nfs/dbraw/zinc/06/89/45/632068945.db2.gz KBGQBPJYEAZUTC-DYVFJYSZSA-N -1 3 275.392 3.276 20 0 CGADHM Cc1cc(C)c(CC(=O)[N-]OCCC2CC2)c(C)c1 ZINC000817387708 632136230 /nfs/dbraw/zinc/13/62/30/632136230.db2.gz APAWYSLXOHXNNN-UHFFFAOYSA-N -1 3 261.365 3.002 20 0 CGADHM O=C(C[C@H]1CCc2ccccc2C1)[N-]OCCC1CC1 ZINC000817430197 632153781 /nfs/dbraw/zinc/15/37/81/632153781.db2.gz UNONEWVAAOVKED-AWEZNQCLSA-N -1 3 273.376 3.030 20 0 CGADHM CC(C)COc1ccc(CC(=O)[N-]OCCC2CC2)cc1 ZINC000817436863 632156815 /nfs/dbraw/zinc/15/68/15/632156815.db2.gz BJIWBTKFIWVIDB-UHFFFAOYSA-N -1 3 291.391 3.112 20 0 CGADHM CCC[C@H]1[C@H](C)CCCN1C(=O)c1ccc(N)cc1[O-] ZINC000817954052 632248717 /nfs/dbraw/zinc/24/87/17/632248717.db2.gz AUVBKYQAADVOJC-RISCZKNCSA-N -1 3 276.380 3.015 20 0 CGADHM CCOC([O-])=NOCCCc1ccc(C(F)(F)F)cc1 ZINC000818106436 632287718 /nfs/dbraw/zinc/28/77/18/632287718.db2.gz LEICXVMUKWPDRX-UHFFFAOYSA-N -1 3 291.269 3.316 20 0 CGADHM CCOC(=O)[N-]OCCCc1ccc(C(F)(F)F)cc1 ZINC000818106436 632287721 /nfs/dbraw/zinc/28/77/21/632287721.db2.gz LEICXVMUKWPDRX-UHFFFAOYSA-N -1 3 291.269 3.316 20 0 CGADHM Cc1cc(F)c(CNCCCCCCC(=O)[O-])c(F)c1 ZINC000819162489 632392839 /nfs/dbraw/zinc/39/28/39/632392839.db2.gz IXEVDGAHYCBQCK-UHFFFAOYSA-N -1 3 285.334 3.398 20 0 CGADHM Cc1ccc(NCc2ccccc2-c2nnn[n-]2)c(C)c1 ZINC000822259242 632890616 /nfs/dbraw/zinc/89/06/16/632890616.db2.gz QJNJTSKVGBCBKB-UHFFFAOYSA-N -1 3 279.347 3.096 20 0 CGADHM Cc1ccc(NCc2ccccc2-c2nn[n-]n2)c(C)c1 ZINC000822259242 632890620 /nfs/dbraw/zinc/89/06/20/632890620.db2.gz QJNJTSKVGBCBKB-UHFFFAOYSA-N -1 3 279.347 3.096 20 0 CGADHM Cc1nocc1[N-]C(=O)c1cnc(CC(C)(C)C)s1 ZINC000823760274 633149978 /nfs/dbraw/zinc/14/99/78/633149978.db2.gz FQJLZSRLVCRVEV-UHFFFAOYSA-N -1 3 279.365 3.280 20 0 CGADHM CCOc1cc(C(=O)[N-]c2ccc(C3CC3)cc2F)on1 ZINC000828616699 633635638 /nfs/dbraw/zinc/63/56/38/633635638.db2.gz IMGHIGXFUDEPDC-UHFFFAOYSA-N -1 3 290.294 3.342 20 0 CGADHM CC(C)CCCC(=O)[N-]OCCCC(F)(F)F ZINC000871216250 633730923 /nfs/dbraw/zinc/73/09/23/633730923.db2.gz PJITYOAYKSORRV-UHFFFAOYSA-N -1 3 255.280 3.203 20 0 CGADHM Cc1c2occ([O-])c2ccc1OCc1ccc2c(c1)COC2 ZINC000871800885 633872930 /nfs/dbraw/zinc/87/29/30/633872930.db2.gz ZFYLKVXMDFEHPV-UHFFFAOYSA-N -1 3 296.322 3.179 20 0 CGADHM CC1(C)CCC(CNCc2nc(CC(=O)[O-])cs2)CC1 ZINC000871880925 633909216 /nfs/dbraw/zinc/90/92/16/633909216.db2.gz AFANETDJIYQRLY-UHFFFAOYSA-N -1 3 296.436 3.076 20 0 CGADHM CC[C@H]1CCC[C@H](CNCc2nc(CC(=O)[O-])cs2)C1 ZINC000871881609 633909477 /nfs/dbraw/zinc/90/94/77/633909477.db2.gz ZYHSHGRNQZGWQB-RYUDHWBXSA-N -1 3 296.436 3.076 20 0 CGADHM Cc1nc(C)c(CN[C@@H](C)c2cccc([O-])c2F)s1 ZINC000872039415 633959614 /nfs/dbraw/zinc/95/96/14/633959614.db2.gz SFBOEIJUXMMWBJ-QMMMGPOBSA-N -1 3 280.368 3.455 20 0 CGADHM CCc1cnc(CN[C@@H](C)c2cccc([O-])c2F)s1 ZINC000872039703 633960165 /nfs/dbraw/zinc/96/01/65/633960165.db2.gz UMFLWSLEQAVRAT-VIFPVBQESA-N -1 3 280.368 3.401 20 0 CGADHM CC(C)=CCN1CCC(c2nc(C)c(C(=O)[O-])s2)CC1 ZINC000872164625 634073421 /nfs/dbraw/zinc/07/34/21/634073421.db2.gz JXHIDUUMMFPGBX-UHFFFAOYSA-N -1 3 294.420 3.295 20 0 CGADHM CCC(C)(C)CCS(=O)(=O)[N-]c1cnn(C(C)C)c1 ZINC000872348312 634113208 /nfs/dbraw/zinc/11/32/08/634113208.db2.gz VHTXGLAYIXOXNK-UHFFFAOYSA-N -1 3 287.429 3.032 20 0 CGADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H]3CC34CCC4)nc2)n1 ZINC000872775713 634206168 /nfs/dbraw/zinc/20/61/68/634206168.db2.gz XJUKBBDUNNVBIV-CYBMUJFWSA-N -1 3 296.374 3.161 20 0 CGADHM C[C@H](CC(C)(C)C)C(=O)OCc1cc(=O)[n-]c(C2CC2)n1 ZINC000837643729 634956255 /nfs/dbraw/zinc/95/62/55/634956255.db2.gz INMCGIXQNZTCTO-SNVBAGLBSA-N -1 3 292.379 3.175 20 0 CGADHM O=C1N[C@@H](c2ccc([O-])cc2F)Nc2cc(Cl)ccc21 ZINC000877846435 635239119 /nfs/dbraw/zinc/23/91/19/635239119.db2.gz AEKPKSILZBJZBY-ZDUSSCGKSA-N -1 3 292.697 3.039 20 0 CGADHM CC(C)(C)CC(=O)[N-]OCCCCC(F)(F)F ZINC000842062161 635271468 /nfs/dbraw/zinc/27/14/68/635271468.db2.gz ZESAWFQNJBGOSB-UHFFFAOYSA-N -1 3 255.280 3.203 20 0 CGADHM CC(C)(C)CC(=O)[N-]OCc1csc(C(C)(C)C)n1 ZINC000842063181 635272164 /nfs/dbraw/zinc/27/21/64/635272164.db2.gz JIPTZSUZSFZOJF-UHFFFAOYSA-N -1 3 284.425 3.425 20 0 CGADHM CCON(C(=O)c1cc2c(cc1[O-])CCCC2)C(C)C ZINC000844075514 635812985 /nfs/dbraw/zinc/81/29/85/635812985.db2.gz NWLQZENWQDLXQP-UHFFFAOYSA-N -1 3 277.364 3.073 20 0 CGADHM O=C(N[C@@H]1CC[C@@H]2C[C@@H]2C1)c1cc([O-])c2ccccc2c1 ZINC000844105768 635822915 /nfs/dbraw/zinc/82/29/15/635822915.db2.gz JQXACLYRDJPBRM-UXIGCNINSA-N -1 3 281.355 3.464 20 0 CGADHM O=C(/C=C/c1ccccc1F)Nc1cccc([O-])c1F ZINC000128720313 636064147 /nfs/dbraw/zinc/06/41/47/636064147.db2.gz VLUIKDZYAQVOEW-CMDGGOBGSA-N -1 3 275.254 3.322 20 0 CGADHM CCC[C@H](C)CCNC(=O)Cc1ccc([O-])c(F)c1 ZINC000881531640 636134389 /nfs/dbraw/zinc/13/43/89/636134389.db2.gz KTKFYZDOGLBDNY-NSHDSACASA-N -1 3 267.344 3.016 20 0 CGADHM O=C(c1cc([O-])c2ccccc2c1)N1CCC(F)CC1 ZINC000881610881 636169121 /nfs/dbraw/zinc/16/91/21/636169121.db2.gz ADZXQULAHWPOAN-UHFFFAOYSA-N -1 3 273.307 3.120 20 0 CGADHM O=C(c1cc2sccc2c([O-])c1)N1CCCC(F)(F)C1 ZINC000846359843 636178140 /nfs/dbraw/zinc/17/81/40/636178140.db2.gz LQRGSZMZOQCSTC-UHFFFAOYSA-N -1 3 297.326 3.478 20 0 CGADHM CCOC(=O)c1c(C)[n-]c(=O)nc1SCCCC(C)C ZINC000882294438 636303862 /nfs/dbraw/zinc/30/38/62/636303862.db2.gz NFGKVLOMNNWWDV-UHFFFAOYSA-N -1 3 298.408 3.196 20 0 CGADHM CC(C)c1csc([N-]C(=O)c2c(F)ccnc2F)n1 ZINC000847377552 636384885 /nfs/dbraw/zinc/38/48/85/636384885.db2.gz DJHIRLONXYYPHG-UHFFFAOYSA-N -1 3 283.303 3.192 20 0 CGADHM O=C(Cc1ccoc1)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000130478955 636459719 /nfs/dbraw/zinc/45/97/19/636459719.db2.gz FENFVNGFYZDCNH-UHFFFAOYSA-N -1 3 299.248 3.089 20 0 CGADHM CSc1ccc(COC(=O)c2cccc3nn[n-]c32)cc1 ZINC000800209162 636957339 /nfs/dbraw/zinc/95/73/39/636957339.db2.gz WLUGPBFVHZZFAQ-UHFFFAOYSA-N -1 3 299.355 3.037 20 0 CGADHM CSc1ccc(COC(=O)c2cccc3[n-]nnc32)cc1 ZINC000800209162 636957351 /nfs/dbraw/zinc/95/73/51/636957351.db2.gz WLUGPBFVHZZFAQ-UHFFFAOYSA-N -1 3 299.355 3.037 20 0 CGADHM CSc1ccc(COC(=O)c2cccc3n[n-]nc32)cc1 ZINC000800209162 636957360 /nfs/dbraw/zinc/95/73/60/636957360.db2.gz WLUGPBFVHZZFAQ-UHFFFAOYSA-N -1 3 299.355 3.037 20 0 CGADHM O=C(Cc1ccc(F)cc1Cl)[N-]OCc1ccccc1 ZINC000134431765 637022349 /nfs/dbraw/zinc/02/23/49/637022349.db2.gz GLDBIJYCPSKVBT-UHFFFAOYSA-N -1 3 293.725 3.270 20 0 CGADHM CCc1c(=O)n([C@@H]2CCCSC2)[n-]c1-c1ccccc1 ZINC000887299412 637793060 /nfs/dbraw/zinc/79/30/60/637793060.db2.gz YXOQIJRKBYMHEP-KGLIPLIRSA-N -1 3 288.416 3.155 20 0 CGADHM CC(C)(CNC(=O)c1cc([O-])ccc1Cl)C1CC1 ZINC000887373945 637809385 /nfs/dbraw/zinc/80/93/85/637809385.db2.gz ZHEXLTMEHKWNAA-UHFFFAOYSA-N -1 3 267.756 3.212 20 0 CGADHM COc1ccc(CO[N-]C(=O)CCCc2ccccc2)cc1 ZINC000853664306 637885410 /nfs/dbraw/zinc/88/54/10/637885410.db2.gz QPKYTACMTMIXNB-UHFFFAOYSA-N -1 3 299.370 3.266 20 0 CGADHM CCC(CC)CSCCC[N-]C(=O)C(F)(F)F ZINC000853780214 637920320 /nfs/dbraw/zinc/92/03/20/637920320.db2.gz ZHOJRELAJUQKMV-UHFFFAOYSA-N -1 3 271.348 3.224 20 0 CGADHM CC1(C)C[C@@H](O)c2cc(-c3ccc(=O)[n-]c3F)ccc2O1 ZINC000854189024 638011994 /nfs/dbraw/zinc/01/19/94/638011994.db2.gz HOGNLOUWUCHJAO-GFCCVEGCSA-N -1 3 289.306 3.188 20 0 CGADHM O=c1ccc(-c2ccc(N3CCCCC3=O)cc2)c(F)[n-]1 ZINC000854189592 638013010 /nfs/dbraw/zinc/01/30/10/638013010.db2.gz NPNKWYXKIGWONR-UHFFFAOYSA-N -1 3 286.306 3.110 20 0 CGADHM O=C(c1cc([O-])ccc1Cl)N1CC[C@H]1C1CCCC1 ZINC000889406806 638024074 /nfs/dbraw/zinc/02/40/74/638024074.db2.gz COZZMTCQNASOTG-AWEZNQCLSA-N -1 3 279.767 3.450 20 0 CGADHM O=C(C[C@@H]1CCC(F)(F)C1)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000854581446 638072356 /nfs/dbraw/zinc/07/23/56/638072356.db2.gz KPXJZAGALVOMJT-QMMMGPOBSA-N -1 3 295.289 3.033 20 0 CGADHM CCCC[C@](C)(F)C(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000854583956 638073739 /nfs/dbraw/zinc/07/37/39/638073739.db2.gz QTGDHMJYDMLEHX-AWEZNQCLSA-N -1 3 279.315 3.125 20 0 CGADHM O=C(Nc1c([O-])cccc1Cl)C1CC2(CC2(F)F)C1 ZINC000854652482 638082370 /nfs/dbraw/zinc/08/23/70/638082370.db2.gz QTXDBYAXLONBDX-UHFFFAOYSA-N -1 3 287.693 3.420 20 0 CGADHM O=C(OCC1CC1)c1cccc2[n-]c(C(F)F)nc21 ZINC000924080527 638295339 /nfs/dbraw/zinc/29/53/39/638295339.db2.gz YCHALTUMQCREGE-UHFFFAOYSA-N -1 3 266.247 3.067 20 0 CGADHM O=C(CCc1ccc(-c2ccccc2)[nH]1)[N-]OCC1CCC1 ZINC000856346673 638347143 /nfs/dbraw/zinc/34/71/43/638347143.db2.gz JNHDKAZQUDTLGG-UHFFFAOYSA-N -1 3 298.386 3.462 20 0 CGADHM O=C(CC1CC(c2ccccc2)C1)[N-]OCC1CCC1 ZINC000856351465 638351293 /nfs/dbraw/zinc/35/12/93/638351293.db2.gz JXEMUKBHMZPMCI-UHFFFAOYSA-N -1 3 273.376 3.418 20 0 CGADHM CCCC[C@H](C(=O)[N-]O[C@@H]1CCCCO1)C(C)C ZINC000857089711 638456447 /nfs/dbraw/zinc/45/64/47/638456447.db2.gz BSEXLMKIUJNJGW-QWHCGFSZSA-N -1 3 257.374 3.023 20 0 CGADHM Cc1cc(F)ccc1NC(=O)c1[n-]cnc1C(F)(F)F ZINC000857432042 638505564 /nfs/dbraw/zinc/50/55/64/638505564.db2.gz XAYSFAHZVHBGMB-UHFFFAOYSA-N -1 3 287.216 3.128 20 0 CGADHM Cc1cc(F)ccc1NC(=O)c1nc[n-]c1C(F)(F)F ZINC000857432042 638505568 /nfs/dbraw/zinc/50/55/68/638505568.db2.gz XAYSFAHZVHBGMB-UHFFFAOYSA-N -1 3 287.216 3.128 20 0 CGADHM Cc1nnc([C@H](C)N[C@@H](C)c2cc([O-])cc(F)c2)s1 ZINC000926166926 638727927 /nfs/dbraw/zinc/72/79/27/638727927.db2.gz XJAHNSQPOCKQJI-YUMQZZPRSA-N -1 3 281.356 3.103 20 0 CGADHM C[C@@H](N[C@H](C)C(F)(F)F)c1cc([O-])cc(F)c1 ZINC000926436563 638771268 /nfs/dbraw/zinc/77/12/68/638771268.db2.gz VKYRVZLDZDBDMY-RNFRBKRXSA-N -1 3 251.223 3.133 20 0 CGADHM Cc1noc(C(C)C)c1NC(=O)c1ccc(C)cc1[O-] ZINC000928785973 638892020 /nfs/dbraw/zinc/89/20/20/638892020.db2.gz LVHQNBVLDXMQGS-UHFFFAOYSA-N -1 3 274.320 3.373 20 0 CGADHM Cc1cc(C(=O)[N-]c2c(C)noc2C(C)C)ns1 ZINC000928787200 638892033 /nfs/dbraw/zinc/89/20/33/638892033.db2.gz HXBKYKZVLOWBIZ-UHFFFAOYSA-N -1 3 265.338 3.124 20 0 CGADHM Cc1cccc([O-])c1C(=O)N(C)[C@@H]1CCc2ccccc2C1 ZINC000859391460 639134971 /nfs/dbraw/zinc/13/49/71/639134971.db2.gz KIMCCKWWYJCJRH-MRXNPFEDSA-N -1 3 295.382 3.330 20 0 CGADHM O=C(CC1CCC(F)(F)CC1)[N-]OCCC(F)(F)F ZINC000860992721 639482659 /nfs/dbraw/zinc/48/26/59/639482659.db2.gz WMSCJFPIWLYSOT-UHFFFAOYSA-N -1 3 289.244 3.202 20 0 CGADHM CSCCCCCCC(=O)[N-]OC/C=C/Cl ZINC000861782352 639612681 /nfs/dbraw/zinc/61/26/81/639612681.db2.gz ASYJWNZDCIIBEP-SOFGYWHQSA-N -1 3 265.806 3.100 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)CC1CCC(F)(F)CC1 ZINC000861807736 639615907 /nfs/dbraw/zinc/61/59/07/639615907.db2.gz CUMPUJFBBNNOKR-JTQLQIEISA-N -1 3 263.328 3.296 20 0 CGADHM O=C(Nc1ncccc1[O-])c1cc2cccc(Cl)c2o1 ZINC000084622025 640609137 /nfs/dbraw/zinc/60/91/37/640609137.db2.gz PKBLYBAJDVWPRQ-UHFFFAOYSA-N -1 3 288.690 3.439 20 0 CGADHM CS(=O)(=O)c1ccc(-c2ccc(Cl)cc2[O-])cc1 ZINC001250524873 805675282 /nfs/dbraw/zinc/67/52/82/805675282.db2.gz SLDXFUXEPSNOQU-UHFFFAOYSA-N -1 3 282.748 3.116 20 0 CGADHM CCc1ccc(C(=O)NCC2CCC=CCC2)c([O-])c1 ZINC001156435052 805691869 /nfs/dbraw/zinc/69/18/69/805691869.db2.gz ZBYDFCCDTVWPGN-UHFFFAOYSA-N -1 3 273.376 3.431 20 0 CGADHM Cc1cc(-c2ccccc2C(N)=O)cc(Cl)c1[O-] ZINC001250610215 805722222 /nfs/dbraw/zinc/72/22/22/805722222.db2.gz ZAMPVIXDQSHGKR-UHFFFAOYSA-N -1 3 261.708 3.120 20 0 CGADHM COc1ccc2nc(-c3ccc([O-])cc3F)n(C)c2c1 ZINC001250845783 805787625 /nfs/dbraw/zinc/78/76/25/805787625.db2.gz KGRRRVPJCZAQLB-UHFFFAOYSA-N -1 3 272.279 3.094 20 0 CGADHM Fc1cc2[n-]c(-c3nc4ccccn4n3)nc2c(Cl)c1 ZINC001251259442 805873978 /nfs/dbraw/zinc/87/39/78/805873978.db2.gz WRNAYEUKUVHPCC-UHFFFAOYSA-N -1 3 287.685 3.065 20 0 CGADHM CCOc1ccc2nc(-c3cc([O-])cc(F)c3)n(C)c2c1 ZINC001251570058 805907969 /nfs/dbraw/zinc/90/79/69/805907969.db2.gz RBVYROSBIJDDPB-UHFFFAOYSA-N -1 3 286.306 3.484 20 0 CGADHM CC[C@H](C)c1nc2[nH]ccc2c(NCc2ncccc2[O-])n1 ZINC001158776244 806000886 /nfs/dbraw/zinc/00/08/86/806000886.db2.gz UBYKKFKKZBUTQM-JTQLQIEISA-N -1 3 297.362 3.184 20 0 CGADHM [O-]c1ccccc1-c1nnc(Cc2ccccc2)o1 ZINC001253489097 806226778 /nfs/dbraw/zinc/22/67/78/806226778.db2.gz KEOIJEPPUQOXJZ-UHFFFAOYSA-N -1 3 252.273 3.033 20 0 CGADHM Cc1c([O-])cc(-c2nnc(Cc3ccccc3)o2)cc1F ZINC001253588105 806265352 /nfs/dbraw/zinc/26/53/52/806265352.db2.gz AWCASBURAREZPS-UHFFFAOYSA-N -1 3 284.290 3.481 20 0 CGADHM Cc1cccc(-c2nnc(Cc3ccc([O-])cc3F)o2)c1 ZINC001253654518 806276134 /nfs/dbraw/zinc/27/61/34/806276134.db2.gz DFAQRYZCVFRSOF-UHFFFAOYSA-N -1 3 284.290 3.481 20 0 CGADHM [O-]c1cc(Cl)ccc1-n1cc(-c2ccccc2)nn1 ZINC001254165345 806356791 /nfs/dbraw/zinc/35/67/91/806356791.db2.gz XUEJEMXQECZEMP-UHFFFAOYSA-N -1 3 271.707 3.293 20 0 CGADHM [O-]c1ccc(-c2nnc(Cc3cccc(Cl)c3)o2)nc1 ZINC001254415581 806394338 /nfs/dbraw/zinc/39/43/38/806394338.db2.gz VFTDKCJBSMJPON-UHFFFAOYSA-N -1 3 287.706 3.081 20 0 CGADHM CC(C)c1ccc(C(=O)N[C@H]2CS[C@@H](C)C2)c([O-])c1 ZINC001161816672 806462856 /nfs/dbraw/zinc/46/28/56/806462856.db2.gz OVMMUTDHTZDEIL-CMPLNLGQSA-N -1 3 279.405 3.139 20 0 CGADHM Cc1ccc([O-])c(-c2nnc([C@@H]3C[C@H]3c3ccccc3)o2)n1 ZINC001254653451 806475683 /nfs/dbraw/zinc/47/56/83/806475683.db2.gz MPKZOURSQTUORL-QWHCGFSZSA-N -1 3 293.326 3.417 20 0 CGADHM [O-]c1ccc(O)cc1-c1nnc([C@@H]2C[C@@H]2c2ccccc2)o1 ZINC001254682855 806485278 /nfs/dbraw/zinc/48/52/78/806485278.db2.gz NDPLCQAPDGCVFA-CHWSQXEVSA-N -1 3 294.310 3.419 20 0 CGADHM CC(C)(C)O[N-]C(=O)CCCOc1ccccc1Cl ZINC000126151587 799005328 /nfs/dbraw/zinc/00/53/28/799005328.db2.gz YCFZGEIJBCYENS-UHFFFAOYSA-N -1 3 285.771 3.345 20 0 CGADHM C[C@H](NC1CCC(C)(C)CC1)c1ncc(C(=O)[O-])s1 ZINC000315420332 799236490 /nfs/dbraw/zinc/23/64/90/799236490.db2.gz WNDGNCUHGSVMMY-VIFPVBQESA-N -1 3 282.409 3.461 20 0 CGADHM Cc1cc(-c2cc(C(F)(F)F)[n-]c(=S)n2)cc(C)n1 ZINC000381168432 799373195 /nfs/dbraw/zinc/37/31/95/799373195.db2.gz XBRLLIADHYIMAK-UHFFFAOYSA-N -1 3 285.294 3.463 20 0 CGADHM CC(C)(C)SCCN1CCc2ccc(C(=O)[O-])cc2C1 ZINC000394444946 799497328 /nfs/dbraw/zinc/49/73/28/799497328.db2.gz DGGQUZHAIVBODE-UHFFFAOYSA-N -1 3 293.432 3.275 20 0 CGADHM COc1cccc([O-])c1C(=O)NCc1ccc(Cl)s1 ZINC000405449171 799585242 /nfs/dbraw/zinc/58/52/42/799585242.db2.gz GGTMFAZOFYDIEI-UHFFFAOYSA-N -1 3 297.763 3.046 20 0 CGADHM [O-]c1cccc(CNCc2cccc3c2OCC3)c1Cl ZINC000692917974 799803762 /nfs/dbraw/zinc/80/37/62/799803762.db2.gz YRAZMVGEELIGGA-UHFFFAOYSA-N -1 3 289.762 3.270 20 0 CGADHM O=C([O-])[C@]12CCC[C@H]1N(Cc1ccc(Cl)cc1F)CC2 ZINC000711656669 800067564 /nfs/dbraw/zinc/06/75/64/800067564.db2.gz VUWIBNUGNULCDF-HIFRSBDPSA-N -1 3 297.757 3.308 20 0 CGADHM CCCCCCc1nnc(-c2cc(=O)[n-]c(C3CC3)n2)o1 ZINC001256382967 806879739 /nfs/dbraw/zinc/87/97/39/806879739.db2.gz URCYXPQXHLRTLG-UHFFFAOYSA-N -1 3 288.351 3.232 20 0 CGADHM [O-]c1cccc(Nc2ccoc2)c1Br ZINC001173935944 808772690 /nfs/dbraw/zinc/77/26/90/808772690.db2.gz HGHXOFSYJUUQJR-UHFFFAOYSA-N -1 3 254.083 3.491 20 0 CGADHM CC(C)c1ocnc1CN1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC001118323414 802549452 /nfs/dbraw/zinc/54/94/52/802549452.db2.gz IGIDCNJVYKCRMC-LBPRGKRZSA-N -1 3 294.395 3.121 20 0 CGADHM O=C(NC[C@@H]1CCC=CCCC1)c1ccccc1[O-] ZINC001180306833 809991452 /nfs/dbraw/zinc/99/14/52/809991452.db2.gz JTBIVYQCHLHDKV-CYBMUJFWSA-N -1 3 259.349 3.259 20 0 CGADHM Fc1cc(-c2ccc(=S)[n-]n2)ccc1OC(F)(F)F ZINC001243921630 803077290 /nfs/dbraw/zinc/07/72/90/803077290.db2.gz RFICPQMWHJFTEY-UHFFFAOYSA-N -1 3 290.241 3.470 20 0 CGADHM Cc1cc(F)cc(C)c1-c1ccc(Cc2nnn[n-]2)cc1 ZINC001243928614 803079900 /nfs/dbraw/zinc/07/99/00/803079900.db2.gz GFVGGQXUEDFPTB-UHFFFAOYSA-N -1 3 282.322 3.213 20 0 CGADHM Cc1cc(F)cc(C)c1-c1ccc(Cc2nn[n-]n2)cc1 ZINC001243928614 803079906 /nfs/dbraw/zinc/07/99/06/803079906.db2.gz GFVGGQXUEDFPTB-UHFFFAOYSA-N -1 3 282.322 3.213 20 0 CGADHM CC(C)(C)c1cc(-c2cccc(-c3nnn[n-]3)c2)ccn1 ZINC001244024838 803147127 /nfs/dbraw/zinc/14/71/27/803147127.db2.gz YDEOWMIMWOENMF-UHFFFAOYSA-N -1 3 279.347 3.226 20 0 CGADHM CC(C)(C)c1cc(-c2cccc(-c3nn[n-]n3)c2)ccn1 ZINC001244024838 803147128 /nfs/dbraw/zinc/14/71/28/803147128.db2.gz YDEOWMIMWOENMF-UHFFFAOYSA-N -1 3 279.347 3.226 20 0 CGADHM COC(=O)c1cc(F)ncc1-c1c([O-])cccc1Cl ZINC001244044076 803158076 /nfs/dbraw/zinc/15/80/76/803158076.db2.gz GKDCKDIIJPAXIJ-UHFFFAOYSA-N -1 3 281.670 3.033 20 0 CGADHM CCOC(=O)c1ncccc1-c1c([O-])cccc1Cl ZINC001244044530 803158302 /nfs/dbraw/zinc/15/83/02/803158302.db2.gz MBDYLCAGRKPESW-UHFFFAOYSA-N -1 3 277.707 3.284 20 0 CGADHM CNC(=O)c1ccccc1-c1c([O-])cccc1Cl ZINC001244051251 803161654 /nfs/dbraw/zinc/16/16/54/803161654.db2.gz RHVVMBHHQSFHIR-UHFFFAOYSA-N -1 3 261.708 3.072 20 0 CGADHM Cc1cc2cc(-c3ccccc3-c3nnn[n-]3)ccc2[nH]1 ZINC001244240759 803258191 /nfs/dbraw/zinc/25/81/91/803258191.db2.gz KUSLQWGUYUKCFU-UHFFFAOYSA-N -1 3 275.315 3.323 20 0 CGADHM Cc1cc2cc(-c3ccccc3-c3nn[n-]n3)ccc2[nH]1 ZINC001244240759 803258197 /nfs/dbraw/zinc/25/81/97/803258197.db2.gz KUSLQWGUYUKCFU-UHFFFAOYSA-N -1 3 275.315 3.323 20 0 CGADHM O=C1Cc2c(cccc2-c2ccc(Cl)cc2[O-])N1 ZINC001244469715 803385990 /nfs/dbraw/zinc/38/59/90/803385990.db2.gz PSEYVAHVBCDXLX-UHFFFAOYSA-N -1 3 259.692 3.207 20 0 CGADHM O=C1OCc2ccc(-c3ccc(Cl)cc3[O-])cc21 ZINC001244469690 803386228 /nfs/dbraw/zinc/38/62/28/803386228.db2.gz QKPZIFMGTQUITB-UHFFFAOYSA-N -1 3 260.676 3.383 20 0 CGADHM Cc1nc2[nH]cnc2cc1-c1ccc(Cl)cc1[O-] ZINC001244469469 803386235 /nfs/dbraw/zinc/38/62/35/803386235.db2.gz KAIZRQXRBOAQLM-UHFFFAOYSA-N -1 3 259.696 3.292 20 0 CGADHM NC(=O)Nc1cccc(-c2ccc(Cl)cc2[O-])c1 ZINC001244469429 803386531 /nfs/dbraw/zinc/38/65/31/803386531.db2.gz HSECPLBJPMUNBC-UHFFFAOYSA-N -1 3 262.696 3.203 20 0 CGADHM O=C1Cc2ccc(-c3ccc(Cl)cc3[O-])cc2N1 ZINC001244469369 803386548 /nfs/dbraw/zinc/38/65/48/803386548.db2.gz JEIPOJHBIZKNIG-UHFFFAOYSA-N -1 3 259.692 3.207 20 0 CGADHM COc1cc(-c2ccc(Cl)cc2[O-])cnc1F ZINC001244471178 803387525 /nfs/dbraw/zinc/38/75/25/803387525.db2.gz FPCPBUSKRUBDEQ-UHFFFAOYSA-N -1 3 253.660 3.255 20 0 CGADHM CC(C)NC(=O)c1cncc(-c2ccc(Cl)cc2[O-])c1 ZINC001244472674 803388455 /nfs/dbraw/zinc/38/84/55/803388455.db2.gz OWVCBNXWZPAOND-UHFFFAOYSA-N -1 3 290.750 3.246 20 0 CGADHM CS(=O)(=O)Cc1ccccc1-c1ccc(Cl)cc1[O-] ZINC001244472692 803388540 /nfs/dbraw/zinc/38/85/40/803388540.db2.gz PMOOTUGMQPBYKI-UHFFFAOYSA-N -1 3 296.775 3.257 20 0 CGADHM O=C1COc2cccc(-c3ccc(Cl)cc3[O-])c2N1 ZINC001244473166 803388589 /nfs/dbraw/zinc/38/85/89/803388589.db2.gz TVJXEUXAQPLGCW-UHFFFAOYSA-N -1 3 275.691 3.044 20 0 CGADHM COc1cc(-c2ccc(Cl)cc2[O-])c(OC)cn1 ZINC001244477884 803390429 /nfs/dbraw/zinc/39/04/29/803390429.db2.gz XUJRHUGYTXOKTC-UHFFFAOYSA-N -1 3 265.696 3.125 20 0 CGADHM Cc1cc(-c2cc3c(cn2)C(C)(C)C(=O)N3)cc([O-])c1F ZINC001244506697 803410456 /nfs/dbraw/zinc/41/04/56/803410456.db2.gz GTRUBENSUOYFAK-UHFFFAOYSA-N -1 3 286.306 3.131 20 0 CGADHM Cc1cc(-c2cc(N3CCCCC3)ncn2)cc([O-])c1F ZINC001244507965 803411649 /nfs/dbraw/zinc/41/16/49/803411649.db2.gz RXVGKISXQYAVFR-UHFFFAOYSA-N -1 3 287.338 3.287 20 0 CGADHM Cc1cc(-c2cccc3c2CC(=O)N3)cc([O-])c1F ZINC001244517729 803413690 /nfs/dbraw/zinc/41/36/90/803413690.db2.gz NCZNKMJINMYKTG-UHFFFAOYSA-N -1 3 257.264 3.001 20 0 CGADHM CCOC(=O)c1c(F)cncc1-c1cc(C)c(F)c([O-])c1 ZINC001244519214 803414868 /nfs/dbraw/zinc/41/48/68/803414868.db2.gz DYDACDVTTIZNLG-UHFFFAOYSA-N -1 3 293.269 3.218 20 0 CGADHM Cc1cc(-c2ccc(=O)n(C3CCC3)c2)cc([O-])c1F ZINC001244525853 803418285 /nfs/dbraw/zinc/41/82/85/803418285.db2.gz UNJUJVAHYXLEGF-UHFFFAOYSA-N -1 3 273.307 3.393 20 0 CGADHM COc1cc(-c2cc(C)c(F)c([O-])c2)c2cc[nH]c2n1 ZINC001244531415 803422643 /nfs/dbraw/zinc/42/26/43/803422643.db2.gz ZHKKWTRCYRSDEU-UHFFFAOYSA-N -1 3 272.279 3.392 20 0 CGADHM Clc1ccnc(Cl)c1-c1ccc(-c2nnn[n-]2)cc1 ZINC001244938361 803584121 /nfs/dbraw/zinc/58/41/21/803584121.db2.gz ASJNABDCLOXBES-UHFFFAOYSA-N -1 3 292.129 3.236 20 0 CGADHM Clc1ccnc(Cl)c1-c1ccc(-c2nn[n-]n2)cc1 ZINC001244938361 803584123 /nfs/dbraw/zinc/58/41/23/803584123.db2.gz ASJNABDCLOXBES-UHFFFAOYSA-N -1 3 292.129 3.236 20 0 CGADHM NCc1ccc(-c2cc(C(=O)[O-])c(Cl)cc2Cl)cn1 ZINC001245000392 803609248 /nfs/dbraw/zinc/60/92/48/803609248.db2.gz HAKLPDAREYLQGE-UHFFFAOYSA-N -1 3 297.141 3.212 20 0 CGADHM [O-]c1ccc(Cl)cc1-c1cc(-n2ccnc2)ccn1 ZINC001245050640 803623215 /nfs/dbraw/zinc/62/32/15/803623215.db2.gz XFDGWMZHHIVXOC-UHFFFAOYSA-N -1 3 271.707 3.293 20 0 CGADHM CC(=O)c1ccc(C(=O)N[C@H](C)c2ccc(C)cc2)cc1[O-] ZINC001136178025 803634985 /nfs/dbraw/zinc/63/49/85/803634985.db2.gz JGCVCDBARLSPFM-GFCCVEGCSA-N -1 3 297.354 3.394 20 0 CGADHM Cc1cc(-c2nnn[n-]2)ccc1-c1cccc(Cl)c1N ZINC001245181321 803659034 /nfs/dbraw/zinc/65/90/34/803659034.db2.gz CEWYZQVUNOBZRJ-UHFFFAOYSA-N -1 3 285.738 3.078 20 0 CGADHM Cc1cc(-c2nn[n-]n2)ccc1-c1cccc(Cl)c1N ZINC001245181321 803659036 /nfs/dbraw/zinc/65/90/36/803659036.db2.gz CEWYZQVUNOBZRJ-UHFFFAOYSA-N -1 3 285.738 3.078 20 0 CGADHM Nc1nc2ccc(-c3ccc(C(=O)[O-])cc3Cl)cc2[nH]1 ZINC001245373157 803717826 /nfs/dbraw/zinc/71/78/26/803717826.db2.gz NHSYPMDXMXVPBH-UHFFFAOYSA-N -1 3 287.706 3.164 20 0 CGADHM Nc1nc2cc(-c3ccc(C(=O)[O-])cc3Cl)ccc2[nH]1 ZINC001245373157 803717831 /nfs/dbraw/zinc/71/78/31/803717831.db2.gz NHSYPMDXMXVPBH-UHFFFAOYSA-N -1 3 287.706 3.164 20 0 CGADHM FC(F)(F)c1cc(-c2cc3ccc[nH]c-3n2)nc(=S)[n-]1 ZINC001245399075 803727496 /nfs/dbraw/zinc/72/74/96/803727496.db2.gz BKKZBJQHKRATOH-UHFFFAOYSA-N -1 3 296.277 3.327 20 0 CGADHM COc1nccc(Nc2cc(F)c([O-])c(F)c2)c1Cl ZINC001211952556 814960633 /nfs/dbraw/zinc/96/06/33/814960633.db2.gz HUKGOAOEPFGJLB-UHFFFAOYSA-N -1 3 286.665 3.471 20 0 CGADHM CCc1cccc(C(=O)Nc2cc(Cl)ccc2[O-])n1 ZINC001137702274 803760610 /nfs/dbraw/zinc/76/06/10/803760610.db2.gz VJZRMMSMIMMZNY-UHFFFAOYSA-N -1 3 276.723 3.255 20 0 CGADHM CCCCCC[C@@H](O)CCC(=O)[N-]OC1CCCC1 ZINC001137828847 803778433 /nfs/dbraw/zinc/77/84/33/803778433.db2.gz TXBKDKSBOZIGMZ-CYBMUJFWSA-N -1 3 271.401 3.088 20 0 CGADHM [O-]c1ccc(Nc2ncccc2OC(F)F)c(F)c1F ZINC001212003365 814966032 /nfs/dbraw/zinc/96/60/32/814966032.db2.gz YRCPAPNYSJDWSW-UHFFFAOYSA-N -1 3 288.200 3.410 20 0 CGADHM [O-]c1ccc(Nc2cccc3cnncc32)c(F)c1F ZINC001212009889 814967138 /nfs/dbraw/zinc/96/71/38/814967138.db2.gz WVAFLNWVTBULNQ-UHFFFAOYSA-N -1 3 273.242 3.357 20 0 CGADHM O=C1NCc2c(Nc3ccc([O-])c(F)c3F)cccc2N1 ZINC001212016343 814968226 /nfs/dbraw/zinc/96/82/26/814968226.db2.gz LNGHTUFLHZSNHD-UHFFFAOYSA-N -1 3 291.257 3.049 20 0 CGADHM [O-]c1ccc(Nc2c(F)cccc2CO)c(F)c1F ZINC001212014098 814968233 /nfs/dbraw/zinc/96/82/33/814968233.db2.gz ZKSLVKNVDPPSSN-UHFFFAOYSA-N -1 3 269.222 3.045 20 0 CGADHM C[C@H](C(=O)Nc1ccc(Cl)cc1[O-])c1ccncc1 ZINC001138014820 803825936 /nfs/dbraw/zinc/82/59/36/803825936.db2.gz DCVXUUVKJIFDTO-VIFPVBQESA-N -1 3 276.723 3.183 20 0 CGADHM Fc1ccc2cc(-c3ccc(F)c(-c4nnn[n-]4)c3)[nH]c2c1 ZINC001245590229 803838528 /nfs/dbraw/zinc/83/85/28/803838528.db2.gz LFLJNKSTBHQDTA-UHFFFAOYSA-N -1 3 297.268 3.293 20 0 CGADHM Fc1ccc2cc(-c3ccc(F)c(-c4nn[n-]n4)c3)[nH]c2c1 ZINC001245590229 803838537 /nfs/dbraw/zinc/83/85/37/803838537.db2.gz LFLJNKSTBHQDTA-UHFFFAOYSA-N -1 3 297.268 3.293 20 0 CGADHM O=C1CSCN1c1ccc(-c2c([O-])cccc2F)cc1 ZINC001245654761 803886341 /nfs/dbraw/zinc/88/63/41/803886341.db2.gz HKRPEDQKBLVXLH-UHFFFAOYSA-N -1 3 289.331 3.236 20 0 CGADHM COC(=O)Nc1cccc(-c2c([O-])cccc2F)c1 ZINC001245654327 803886413 /nfs/dbraw/zinc/88/64/13/803886413.db2.gz CLHGWEUWYGCXFK-UHFFFAOYSA-N -1 3 261.252 3.377 20 0 CGADHM COc1c(F)ccc(-c2c([O-])cccc2F)c1OC ZINC001245655341 803888684 /nfs/dbraw/zinc/88/86/84/803888684.db2.gz AYUNADXLYPOUDR-UHFFFAOYSA-N -1 3 266.243 3.355 20 0 CGADHM COC(=O)c1cc(F)cc(-c2c([O-])cccc2F)c1 ZINC001245656407 803890269 /nfs/dbraw/zinc/89/02/69/803890269.db2.gz QGWJWRKROYHTMK-UHFFFAOYSA-N -1 3 264.227 3.124 20 0 CGADHM COc1c(F)c(Cl)ccc1-c1ccc(=S)[n-]n1 ZINC001245798743 803968671 /nfs/dbraw/zinc/96/86/71/803968671.db2.gz PUHKXNUYNACFQQ-UHFFFAOYSA-N -1 3 270.716 3.233 20 0 CGADHM Nc1cc(Nc2ncc(Br)cc2[O-])ccc1F ZINC001212327990 815005228 /nfs/dbraw/zinc/00/52/28/815005228.db2.gz GIGZNEYYCUTCBS-UHFFFAOYSA-N -1 3 298.115 3.015 20 0 CGADHM Cc1ncc(Nc2cccc(OC(C)C)c2F)c(=O)[n-]1 ZINC001212321721 815005651 /nfs/dbraw/zinc/00/56/51/815005651.db2.gz NYWJQRWAJHJEFL-UHFFFAOYSA-N -1 3 277.299 3.161 20 0 CGADHM CN(Cc1ccncc1[O-])Cc1ccccc1Cl ZINC001140278972 804406681 /nfs/dbraw/zinc/40/66/81/804406681.db2.gz YYIFOPFJNVXCRC-UHFFFAOYSA-N -1 3 262.740 3.073 20 0 CGADHM [O-]c1ccc(CN2CC[C@@H](c3ccncc3)C2)c(F)c1F ZINC001140894171 804544614 /nfs/dbraw/zinc/54/46/14/804544614.db2.gz UAEFUKBQCGRQRI-GFCCVEGCSA-N -1 3 290.313 3.055 20 0 CGADHM CN(CCc1cccs1)Cc1ccc([O-])c(F)c1F ZINC001140893909 804545077 /nfs/dbraw/zinc/54/50/77/804545077.db2.gz KVEQXZUMNYXVGX-UHFFFAOYSA-N -1 3 283.343 3.406 20 0 CGADHM COc1ccc(CN(C)Cc2cc(F)c([O-])c(F)c2)cc1 ZINC001140988638 804564568 /nfs/dbraw/zinc/56/45/68/804564568.db2.gz GMUSQJLIABTNNK-UHFFFAOYSA-N -1 3 293.313 3.311 20 0 CGADHM [O-]c1cc(Cl)c(CN2CC[C@@]23CCOC3)c(Cl)c1 ZINC001142118425 804696408 /nfs/dbraw/zinc/69/64/08/804696408.db2.gz KXJCKCQPNXHESX-ZDUSSCGKSA-N -1 3 288.174 3.064 20 0 CGADHM CC(=O)[C@@H]1CCN(Cc2c(Cl)cc([O-])cc2Cl)C1 ZINC001142118448 804696443 /nfs/dbraw/zinc/69/64/43/804696443.db2.gz LXRJWHWGOWESKP-SECBINFHSA-N -1 3 288.174 3.110 20 0 CGADHM [O-]c1c(F)cc(F)cc1Nc1cccc(Cl)n1 ZINC001212477517 815033697 /nfs/dbraw/zinc/03/36/97/815033697.db2.gz HHLDVDGHBZDBGZ-UHFFFAOYSA-N -1 3 256.639 3.462 20 0 CGADHM [O-]c1cncc(NC(=S)Nc2c(F)cc(F)cc2F)c1 ZINC001247381900 804717208 /nfs/dbraw/zinc/71/72/08/804717208.db2.gz KVKHBLODWFGWSV-UHFFFAOYSA-N -1 3 299.277 3.013 20 0 CGADHM CSc1nc(NC(=O)C(C)=CC2CCC(C)CC2)n[n-]1 ZINC001142713002 804760535 /nfs/dbraw/zinc/76/05/35/804760535.db2.gz MGLKWLCLXWPDMA-NTMALXAHSA-N -1 3 294.424 3.238 20 0 CGADHM CC[C@@H](C)C1CCC([N-]C(=O)C(F)(F)F)CC1 ZINC001142770365 804766821 /nfs/dbraw/zinc/76/68/21/804766821.db2.gz FBTRKGLFWSFIOW-XNWIYYODSA-N -1 3 251.292 3.270 20 0 CGADHM CC1(C)COc2c(Nc3cc(F)cc(F)c3[O-])cnn2C1 ZINC001212483960 815036367 /nfs/dbraw/zinc/03/63/67/815036367.db2.gz AZAPNPQCNOQDRY-UHFFFAOYSA-N -1 3 295.289 3.029 20 0 CGADHM [O-]c1cc(F)c(CN2CC[C@H]3CCC[C@H]3C2)c(F)c1 ZINC001144544856 805000751 /nfs/dbraw/zinc/00/07/51/805000751.db2.gz JNRHHFLGIOHIRK-MNOVXSKESA-N -1 3 267.319 3.292 20 0 CGADHM CCC1CCN(Cc2c(F)cc([O-])cc2F)CC1 ZINC001144544962 805001375 /nfs/dbraw/zinc/00/13/75/805001375.db2.gz MZLSHCHNTDBKPH-UHFFFAOYSA-N -1 3 255.308 3.292 20 0 CGADHM [O-]c1cc(F)c(CN2C[C@@H]3CCCC[C@H]3C2)c(F)c1 ZINC001144541964 805001645 /nfs/dbraw/zinc/00/16/45/805001645.db2.gz NGMCOGQXCCFCFN-QWRGUYRKSA-N -1 3 267.319 3.292 20 0 CGADHM CC1(C)CCN(Cc2c(F)cc([O-])cc2F)CC1 ZINC001144554866 805002694 /nfs/dbraw/zinc/00/26/94/805002694.db2.gz KEJWAWGSSRTMCU-UHFFFAOYSA-N -1 3 255.308 3.292 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)NCc1ccccc1C1CC1 ZINC001144632040 805017153 /nfs/dbraw/zinc/01/71/53/805017153.db2.gz DHLFEOXCCCICOB-UHFFFAOYSA-N -1 3 299.345 3.268 20 0 CGADHM COC(C)(C)[C@@H]1CCCN1Cc1cc(F)c([O-])cc1F ZINC001144658471 805023973 /nfs/dbraw/zinc/02/39/73/805023973.db2.gz XPZIOLVFCMAMBQ-AWEZNQCLSA-N -1 3 285.334 3.060 20 0 CGADHM O=C(CCCCc1ccccc1)[N-]OCC1CCC1 ZINC001148107579 805163814 /nfs/dbraw/zinc/16/38/14/805163814.db2.gz SFCAOFMPYCITHJ-UHFFFAOYSA-N -1 3 261.365 3.247 20 0 CGADHM Cc1ccc(C(=O)Nc2cnc(C3CC3)s2)c([O-])c1 ZINC001148492501 805187492 /nfs/dbraw/zinc/18/74/92/805187492.db2.gz MZRTUYMXXGLHQQ-UHFFFAOYSA-N -1 3 274.345 3.287 20 0 CGADHM Cc1ccc(C(=O)N2CCCC3(CC(F)C3)CC2)c([O-])c1 ZINC001148504103 805191497 /nfs/dbraw/zinc/19/14/97/805191497.db2.gz HBJBVOQPWMYKQS-UHFFFAOYSA-N -1 3 291.366 3.445 20 0 CGADHM Cc1ccc(C(=O)Nc2cccc3c(=O)[nH]ccc23)c([O-])c1 ZINC001148500357 805191602 /nfs/dbraw/zinc/19/16/02/805191602.db2.gz MFGQMIVRJUJNBP-UHFFFAOYSA-N -1 3 294.310 3.207 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2cccc3c2CCCC3)n1 ZINC001148631136 805202123 /nfs/dbraw/zinc/20/21/23/805202123.db2.gz YYYUAHKQVVRHIC-UHFFFAOYSA-N -1 3 282.343 3.227 20 0 CGADHM Cc1nc2ccccc2c(C(=O)N(C)C[C@@H]2CC2(C)C)c1[O-] ZINC001149195515 805223774 /nfs/dbraw/zinc/22/37/74/805223774.db2.gz GTHRVEJLFXCEGM-LBPRGKRZSA-N -1 3 298.386 3.367 20 0 CGADHM CCOc1cccc2cc(C(=O)Nc3cncc([O-])c3)oc21 ZINC001150519757 805258609 /nfs/dbraw/zinc/25/86/09/805258609.db2.gz XEGHNIGTGGAQAM-UHFFFAOYSA-N -1 3 298.298 3.184 20 0 CGADHM Cc1ccnc(F)c1Nc1cc(F)c([O-])c(F)c1 ZINC001212558316 815067753 /nfs/dbraw/zinc/06/77/53/815067753.db2.gz CAIDEMNPTKYLMT-UHFFFAOYSA-N -1 3 254.211 3.257 20 0 CGADHM C/C(=C\c1ccco1)C(=O)Nc1cc(F)ccc1[O-] ZINC001153468694 805399061 /nfs/dbraw/zinc/39/90/61/805399061.db2.gz SHUFUSVVAMVKSM-VQHVLOKHSA-N -1 3 261.252 3.166 20 0 CGADHM C[Si](C)(C)CCCC(=O)[N-]OCc1ccc(F)cc1 ZINC001153999677 805424712 /nfs/dbraw/zinc/42/47/12/805424712.db2.gz IYHWAPXCMTXOJU-UHFFFAOYSA-N -1 3 283.419 3.492 20 0 CGADHM O=C([N-]c1cnoc1)c1sc2ncccc2c1Cl ZINC001154058055 805430618 /nfs/dbraw/zinc/43/06/18/805430618.db2.gz HAOYQGJXXMDHEE-UHFFFAOYSA-N -1 3 279.708 3.190 20 0 CGADHM O=C(Nc1ccc(F)c([O-])c1)c1c[nH]c2ccc(F)cc12 ZINC001154136759 805435793 /nfs/dbraw/zinc/43/57/93/805435793.db2.gz MFDIUWGSUPFPPM-UHFFFAOYSA-N -1 3 288.253 3.404 20 0 CGADHM [O-]c1cc(Nc2cnc3ccc(Cl)nn32)ccc1Cl ZINC001212588400 815077776 /nfs/dbraw/zinc/07/77/76/815077776.db2.gz OTCBKTVLBPDYQC-UHFFFAOYSA-N -1 3 295.129 3.485 20 0 CGADHM CCc1ccc(C(=O)N[C@@H](C(C)C)C(F)(F)F)c([O-])c1 ZINC001154662199 805475180 /nfs/dbraw/zinc/47/51/80/805475180.db2.gz WAYHEQKSHQRRSH-LBPRGKRZSA-N -1 3 289.297 3.271 20 0 CGADHM [O-]c1cc(Nc2ncc(F)cc2O)ccc1Cl ZINC001212590429 815078551 /nfs/dbraw/zinc/07/85/51/815078551.db2.gz MCQODFROESARII-UHFFFAOYSA-N -1 3 254.648 3.029 20 0 CGADHM [O-]c1cc(F)cnc1Nc1ccc(Cl)c(O)c1 ZINC001212590429 815078556 /nfs/dbraw/zinc/07/85/56/815078556.db2.gz MCQODFROESARII-UHFFFAOYSA-N -1 3 254.648 3.029 20 0 CGADHM [O-]c1cc(Nc2cc(Cl)nn3ccnc23)ccc1Cl ZINC001212591594 815079939 /nfs/dbraw/zinc/07/99/39/815079939.db2.gz UTQLIQZCHNHWLB-UHFFFAOYSA-N -1 3 295.129 3.485 20 0 CGADHM O=C1NCCc2cccc(Nc3ccc(Cl)c([O-])c3)c21 ZINC001212593771 815080950 /nfs/dbraw/zinc/08/09/50/815080950.db2.gz JJXQYYHLIFYLJK-UHFFFAOYSA-N -1 3 288.734 3.075 20 0 CGADHM NC(=O)Nc1cccc(Nc2ccc(Cl)c([O-])c2)c1 ZINC001212593686 815081006 /nfs/dbraw/zinc/08/10/06/815081006.db2.gz FAGXKGFOKPZYLZ-UHFFFAOYSA-N -1 3 277.711 3.280 20 0 CGADHM CCOc1ccc(Nc2cnc(C)[n-]c2=O)cc1CC ZINC001250284791 805540240 /nfs/dbraw/zinc/54/02/40/805540240.db2.gz XJYJJTONOXPKPK-UHFFFAOYSA-N -1 3 273.336 3.195 20 0 CGADHM Clc1cc(-c2nnc(-c3ccc4c(c3)CCC4)o2)[n-]n1 ZINC001258232423 807379835 /nfs/dbraw/zinc/37/98/35/807379835.db2.gz BAAWQBQDQBQHAD-UHFFFAOYSA-N -1 3 286.722 3.269 20 0 CGADHM Fc1ccc(CNc2ccc(=S)[n-]n2)c(F)c1Cl ZINC001168505081 807438020 /nfs/dbraw/zinc/43/80/20/807438020.db2.gz CXIWUEJKGSEWKP-UHFFFAOYSA-N -1 3 287.722 3.309 20 0 CGADHM CC[C@@H](CC(=O)[N-]OCc1cccc(C)n1)C(C)(C)C ZINC001168641438 807463979 /nfs/dbraw/zinc/46/39/79/807463979.db2.gz AKVVDRCNQXNFBM-ZDUSSCGKSA-N -1 3 278.396 3.400 20 0 CGADHM CC[C@H](C)C[C@H](C)Nc1ccccc1-c1nnn[n-]1 ZINC001168692963 807483332 /nfs/dbraw/zinc/48/33/32/807483332.db2.gz ZVHKOECPIDBVPX-QWRGUYRKSA-N -1 3 259.357 3.103 20 0 CGADHM CC[C@H](C)C[C@H](C)Nc1ccccc1-c1nn[n-]n1 ZINC001168692963 807483337 /nfs/dbraw/zinc/48/33/37/807483337.db2.gz ZVHKOECPIDBVPX-QWRGUYRKSA-N -1 3 259.357 3.103 20 0 CGADHM Cc1ccnc(CCNc2[n-]c(=O)c(Cl)cc2Cl)c1 ZINC001169316583 807627038 /nfs/dbraw/zinc/62/70/38/807627038.db2.gz WJPOIQVYQSTIRS-UHFFFAOYSA-N -1 3 298.173 3.452 20 0 CGADHM O=S(=O)([N-]c1cccc2c1OCCC2)C1CCCCC1 ZINC001259815172 807689235 /nfs/dbraw/zinc/68/92/35/807689235.db2.gz QOADRXIXXCUUEG-UHFFFAOYSA-N -1 3 295.404 3.086 20 0 CGADHM C[C@H]([N-]S(=O)(=O)C(F)F)c1ccc2ccccc2c1 ZINC001259960069 807695600 /nfs/dbraw/zinc/69/56/00/807695600.db2.gz BEWWGUNHVUGVGA-VIFPVBQESA-N -1 3 285.315 3.043 20 0 CGADHM Cc1ccc2[nH]ccc2c1NCc1ncccc1[O-] ZINC001169732509 807701627 /nfs/dbraw/zinc/70/16/27/807701627.db2.gz ZBYQJKLMPQCCEH-UHFFFAOYSA-N -1 3 253.305 3.189 20 0 CGADHM CSc1ccc([O-])c(C(=O)N2CCCSC[C@@H]2C)c1 ZINC001262349658 807851602 /nfs/dbraw/zinc/85/16/02/807851602.db2.gz WUNHIZXTQNLLHI-JTQLQIEISA-N -1 3 297.445 3.082 20 0 CGADHM CN(C)C(=O)c1cccc(Nc2c(F)cccc2F)c1[O-] ZINC001173861231 808719612 /nfs/dbraw/zinc/71/96/12/808719612.db2.gz WQQDCASQOPXYNC-UHFFFAOYSA-N -1 3 292.285 3.116 20 0 CGADHM COc1ccc([N-]c2nnc(-c3ccco3)o2)cc1F ZINC001173862426 808721390 /nfs/dbraw/zinc/72/13/90/808721390.db2.gz RIDLJBJGWGUDQA-UHFFFAOYSA-N -1 3 275.239 3.221 20 0 CGADHM Cn1ccc2cc(Nc3ncc(F)cc3[O-])ccc21 ZINC001174097732 808864130 /nfs/dbraw/zinc/86/41/30/808864130.db2.gz QTTKBDRWNARMEH-UHFFFAOYSA-N -1 3 257.268 3.162 20 0 CGADHM Cc1ccncc1Nc1nc2c(cccc2[O-])s1 ZINC001174116170 808875018 /nfs/dbraw/zinc/87/50/18/808875018.db2.gz WGSNVSTUIBNBLI-UHFFFAOYSA-N -1 3 257.318 3.449 20 0 CGADHM COc1cc(F)ccc1[N-]c1nnc(C(C)C)o1 ZINC001174127918 808879139 /nfs/dbraw/zinc/87/91/39/808879139.db2.gz GBWQNHHUMOWAMM-UHFFFAOYSA-N -1 3 251.261 3.084 20 0 CGADHM CC(=O)NCc1cccc(Nc2ccc([O-])c(F)c2F)c1 ZINC001174370630 808980667 /nfs/dbraw/zinc/98/06/67/808980667.db2.gz ZUIUUPOORFYMTF-UHFFFAOYSA-N -1 3 292.285 3.050 20 0 CGADHM Cc1ccc(Nc2cnc3nccnc3c2)c(Cl)c1[O-] ZINC001213224992 815257342 /nfs/dbraw/zinc/25/73/42/815257342.db2.gz GKYOEUBYBZMHLX-UHFFFAOYSA-N -1 3 286.722 3.436 20 0 CGADHM CC(C)Oc1ccc(Nc2ncc(Cl)cc2[O-])cn1 ZINC001174761364 809157134 /nfs/dbraw/zinc/15/71/34/809157134.db2.gz IBAUMGWKQWDITQ-UHFFFAOYSA-N -1 3 279.727 3.366 20 0 CGADHM [O-]c1c(F)cc(Nc2ncccc2OC(F)F)cc1F ZINC001213375094 815271801 /nfs/dbraw/zinc/27/18/01/815271801.db2.gz PDARHERHEJJBJR-UHFFFAOYSA-N -1 3 288.200 3.410 20 0 CGADHM COc1ccc(C)nc1Nc1cc(F)c([O-])c(F)c1 ZINC001213375291 815272004 /nfs/dbraw/zinc/27/20/04/815272004.db2.gz WANNYDLXYJWTHW-UHFFFAOYSA-N -1 3 266.247 3.126 20 0 CGADHM COC(=O)c1cscc1Nc1cc(F)c([O-])c(F)c1 ZINC001213373670 815272055 /nfs/dbraw/zinc/27/20/55/815272055.db2.gz RRWQRNMDFGNLOE-UHFFFAOYSA-N -1 3 285.271 3.262 20 0 CGADHM COC(=O)c1cc(Nc2cc(F)c([O-])c(F)c2)ccc1F ZINC001213381727 815272897 /nfs/dbraw/zinc/27/28/97/815272897.db2.gz CELCDKWPABYPDN-UHFFFAOYSA-N -1 3 297.232 3.340 20 0 CGADHM [O-]c1c(F)cc(Nc2ncccc2N2CCCC2)cc1F ZINC001213377186 815273357 /nfs/dbraw/zinc/27/33/57/815273357.db2.gz BPIUXYWXJCMDCL-UHFFFAOYSA-N -1 3 291.301 3.409 20 0 CGADHM [O-]c1c(F)cc(Nc2cc(Cl)nc3ccnn32)cc1F ZINC001213377573 815273614 /nfs/dbraw/zinc/27/36/14/815273614.db2.gz UMMMWXYSVCBUAT-UHFFFAOYSA-N -1 3 296.664 3.110 20 0 CGADHM Cn1cnc2cc(Nc3cc(F)c([O-])c(F)c3)ccc21 ZINC001213381828 815274076 /nfs/dbraw/zinc/27/40/76/815274076.db2.gz JSVMGSRHSRXQNB-UHFFFAOYSA-N -1 3 275.258 3.301 20 0 CGADHM [O-]c1cc(F)c(Nc2cccc3c2OCC3)c(F)c1 ZINC001175096851 809269105 /nfs/dbraw/zinc/26/91/05/809269105.db2.gz KIIMHFAPFUQBNP-UHFFFAOYSA-N -1 3 263.243 3.349 20 0 CGADHM [O-]c1cc(F)c(Nc2ccc(F)cc2O)c(F)c1 ZINC001175100162 809270599 /nfs/dbraw/zinc/27/05/99/809270599.db2.gz INVVEIRVZZWXSW-UHFFFAOYSA-N -1 3 255.195 3.259 20 0 CGADHM Cc1c(F)ccc(N)c1Nc1c(F)cc([O-])cc1F ZINC001175099605 809270782 /nfs/dbraw/zinc/27/07/82/809270782.db2.gz OPXHMCGZQVJTNO-UHFFFAOYSA-N -1 3 268.238 3.444 20 0 CGADHM Cc1cccc(Nc2c(F)cc([O-])cc2F)c1O ZINC001175099678 809271088 /nfs/dbraw/zinc/27/10/88/809271088.db2.gz DTDPDWYDCNKETP-UHFFFAOYSA-N -1 3 251.232 3.428 20 0 CGADHM COC(=O)c1cccc(Nc2c(F)cc([O-])cc2F)c1F ZINC001175100113 809271275 /nfs/dbraw/zinc/27/12/75/809271275.db2.gz WCMAZISVIBQJTG-UHFFFAOYSA-N -1 3 297.232 3.340 20 0 CGADHM COc1cc(Nc2cc([O-])c(F)cc2F)cc(OC)c1 ZINC001175111257 809276514 /nfs/dbraw/zinc/27/65/14/809276514.db2.gz NYMWWLWMICAIOA-UHFFFAOYSA-N -1 3 281.258 3.431 20 0 CGADHM CCOc1ccc(Nc2ncc(F)cc2[O-])c(C)c1 ZINC001175242690 809322543 /nfs/dbraw/zinc/32/25/43/809322543.db2.gz LBCDFLBLMOCDMT-UHFFFAOYSA-N -1 3 262.284 3.377 20 0 CGADHM COc1ccc(Nc2c(F)ccc([O-])c2F)c(Cl)n1 ZINC001175262348 809327947 /nfs/dbraw/zinc/32/79/47/809327947.db2.gz FDEMCKRWVIGHPE-UHFFFAOYSA-N -1 3 286.665 3.471 20 0 CGADHM CCOc1ncccc1Nc1c(F)ccc([O-])c1F ZINC001175264036 809329562 /nfs/dbraw/zinc/32/95/62/809329562.db2.gz QJFRDFKDZIPKNM-UHFFFAOYSA-N -1 3 266.247 3.208 20 0 CGADHM Cc1ccc(CO)cc1Nc1c(F)ccc([O-])c1F ZINC001175264768 809329691 /nfs/dbraw/zinc/32/96/91/809329691.db2.gz GNLAQHQYBFZXRZ-UHFFFAOYSA-N -1 3 265.259 3.215 20 0 CGADHM [O-]c1ccc(F)c(Nc2cccc3c2CCO3)c1F ZINC001175267845 809332039 /nfs/dbraw/zinc/33/20/39/809332039.db2.gz JBXFAXUKRXGHAY-UHFFFAOYSA-N -1 3 263.243 3.349 20 0 CGADHM O=C1NCc2c(Nc3c(F)ccc([O-])c3F)cccc2N1 ZINC001175270776 809334142 /nfs/dbraw/zinc/33/41/42/809334142.db2.gz JMBIHFOJPRZTDI-UHFFFAOYSA-N -1 3 291.257 3.049 20 0 CGADHM c1cc2c(c(Nc3ccc(-c4nn[n-]n4)cc3)c1)CCCC2 ZINC001175430136 809401295 /nfs/dbraw/zinc/40/12/95/809401295.db2.gz GUNBDQJJVHJBQL-UHFFFAOYSA-N -1 3 291.358 3.489 20 0 CGADHM CC(C)Oc1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001175429814 809401439 /nfs/dbraw/zinc/40/14/39/809401439.db2.gz PUESATZDCVWYNI-UHFFFAOYSA-N -1 3 295.346 3.398 20 0 CGADHM Cc1ccc(Nc2ccc(-c3nn[n-]n3)cc2)c(F)c1F ZINC001175430129 809401471 /nfs/dbraw/zinc/40/14/71/809401471.db2.gz GNXLQNZXNYZUCY-UHFFFAOYSA-N -1 3 287.273 3.197 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2ccc(F)c(F)c2)c1 ZINC001290107663 809402266 /nfs/dbraw/zinc/40/22/66/809402266.db2.gz RWIIZXGRIDEBBY-UHFFFAOYSA-N -1 3 277.270 3.485 20 0 CGADHM C=Cc1ccccc1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175432616 809402806 /nfs/dbraw/zinc/40/28/06/809402806.db2.gz JSWNYNFSVLCTAE-UHFFFAOYSA-N -1 3 263.304 3.253 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2cc(F)cc(F)c2)c1 ZINC001290402268 809407453 /nfs/dbraw/zinc/40/74/53/809407453.db2.gz VZAQUCLHJIKQJC-UHFFFAOYSA-N -1 3 277.270 3.485 20 0 CGADHM CCc1ccc(C(=O)NCC2CC(C)(C)C2)c([O-])c1 ZINC001296542907 809505885 /nfs/dbraw/zinc/50/58/85/809505885.db2.gz HVCTWJDSCOYWIS-UHFFFAOYSA-N -1 3 261.365 3.121 20 0 CGADHM COc1cc(F)c(C(C)C)cc1[N-]c1nnc(C)o1 ZINC001175830446 809551384 /nfs/dbraw/zinc/55/13/84/809551384.db2.gz XJPLNQSQLAACPY-UHFFFAOYSA-N -1 3 265.288 3.393 20 0 CGADHM O=C(NC1CC=CC1)c1cc2sccc2c([O-])c1 ZINC001300325636 809566589 /nfs/dbraw/zinc/56/65/89/809566589.db2.gz GHAAOBCLUIUTHZ-UHFFFAOYSA-N -1 3 259.330 3.055 20 0 CGADHM O=C(Nc1cnc2[nH]ccc2c1)c1cc([O-])ccc1Cl ZINC001303461596 809609951 /nfs/dbraw/zinc/60/99/51/809609951.db2.gz CMCNCPMTQCPFPI-UHFFFAOYSA-N -1 3 287.706 3.126 20 0 CGADHM [O-]c1cccc2sc(Nc3ccc4nonc4c3)nc21 ZINC001176319831 809666983 /nfs/dbraw/zinc/66/69/83/809666983.db2.gz MOCRXTUWWDCGRW-UHFFFAOYSA-N -1 3 284.300 3.282 20 0 CGADHM O=c1cc(Nc2c(F)cc(F)c(F)c2F)nc(C2CC2)[n-]1 ZINC001176346706 809674304 /nfs/dbraw/zinc/67/43/04/809674304.db2.gz HZNOQOLLYQFGEO-UHFFFAOYSA-N -1 3 299.227 3.360 20 0 CGADHM COc1ccc(O)cc1Nc1nc2c(cccc2[O-])s1 ZINC001176572356 809720478 /nfs/dbraw/zinc/72/04/78/809720478.db2.gz XMJTUBDEDQRLFZ-UHFFFAOYSA-N -1 3 288.328 3.460 20 0 CGADHM O=c1cc(Nc2ccc(-c3ccncc3)cc2)[nH]c(=S)[n-]1 ZINC001176697388 809743553 /nfs/dbraw/zinc/74/35/53/809743553.db2.gz LBIYEFVJHKJULF-UHFFFAOYSA-N -1 3 296.355 3.277 20 0 CGADHM Cc1nn(C)c2cc([N-]c3nnc(C(C)(C)C)o3)ccc12 ZINC001213750749 815326728 /nfs/dbraw/zinc/32/67/28/815326728.db2.gz ZGKSGDSJNYBCNL-UHFFFAOYSA-N -1 3 285.351 3.306 20 0 CGADHM CC(=O)c1cccc([O-])c1NC(=O)[C@H](C)CC(F)(F)F ZINC001179864410 809953132 /nfs/dbraw/zinc/95/31/32/809953132.db2.gz ITPWKZAVHKHWHD-SSDOTTSWSA-N -1 3 289.253 3.122 20 0 CGADHM Cc1ccccc1O[C@@H](C)C(=O)Nc1ccc(F)c([O-])c1 ZINC001180525365 810007830 /nfs/dbraw/zinc/00/78/30/810007830.db2.gz ZRLFFPJREMJXPP-NSHDSACASA-N -1 3 289.306 3.246 20 0 CGADHM [O-]c1ccc(CNc2nc3ccccc3nc2F)cc1F ZINC001185477818 810267803 /nfs/dbraw/zinc/26/78/03/810267803.db2.gz IJJHLROIFHDOET-UHFFFAOYSA-N -1 3 287.269 3.226 20 0 CGADHM Cc1nc2c(NC(=O)c3c(C)cccc3[O-])cccn2c1C ZINC001188640219 810497490 /nfs/dbraw/zinc/49/74/90/810497490.db2.gz JQTLXRBQWWZQSA-UHFFFAOYSA-N -1 3 295.342 3.217 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCC[C@H](C(C)C)CC2)o1 ZINC001189464697 810572188 /nfs/dbraw/zinc/57/21/88/810572188.db2.gz JJRJHLXOYGKFAP-KBPBESRZSA-N -1 3 299.436 3.471 20 0 CGADHM CCCCNC(=O)Nc1cc(Br)ccc1[O-] ZINC001190614862 810637973 /nfs/dbraw/zinc/63/79/73/810637973.db2.gz LMNVNISUBNMWKR-UHFFFAOYSA-N -1 3 287.157 3.076 20 0 CGADHM C[C@@H]1C[C@H](NC(=O)c2ccc(=O)[n-]c2Cl)CC(C)(C)C1 ZINC001190917594 810656666 /nfs/dbraw/zinc/65/66/66/810656666.db2.gz IOWPAYNLEMWUFG-ZJUUUORDSA-N -1 3 296.798 3.385 20 0 CGADHM Cc1cccc(CNC(=O)Nc2ccc(F)c([O-])c2)c1 ZINC001190995208 810662212 /nfs/dbraw/zinc/66/22/12/810662212.db2.gz VKSMBDYKAMJNEH-UHFFFAOYSA-N -1 3 274.295 3.161 20 0 CGADHM COCOc1ccc(C)cc1Nc1ncc(Cl)cc1[O-] ZINC001214237383 815390735 /nfs/dbraw/zinc/39/07/35/815390735.db2.gz SIPXYRSWVOUEGO-UHFFFAOYSA-N -1 3 294.738 3.475 20 0 CGADHM Cc1cccnc1CNC(=O)c1ccc(C(C)(C)C)cc1[O-] ZINC001192315155 810786196 /nfs/dbraw/zinc/78/61/96/810786196.db2.gz YFRWXFZMBRVOBM-UHFFFAOYSA-N -1 3 298.386 3.323 20 0 CGADHM CC(C)(C)c1ccc(C(=O)N2C[C@@H]3C[C@H]2C[C@H]3F)c([O-])c1 ZINC001192325053 810788212 /nfs/dbraw/zinc/78/82/12/810788212.db2.gz HCGFLEDZPCYEIQ-VHRBIJSZSA-N -1 3 291.366 3.262 20 0 CGADHM COC(=O)c1cccnc1Nc1c(Cl)ccc([O-])c1F ZINC001214554009 815422297 /nfs/dbraw/zinc/42/22/97/815422297.db2.gz GSMQTDVPURGUOE-UHFFFAOYSA-N -1 3 296.685 3.110 20 0 CGADHM COc1ccc(CO)cc1Nc1c(Cl)ccc([O-])c1F ZINC001214563675 815424234 /nfs/dbraw/zinc/42/42/34/815424234.db2.gz MWFQAELCXLMKCI-UHFFFAOYSA-N -1 3 297.713 3.429 20 0 CGADHM [O-]c1ccc(Cl)c(Nc2ccc(O)cc2O)c1F ZINC001214559212 815424264 /nfs/dbraw/zinc/42/42/64/815424264.db2.gz JUWIMHRRLJNICI-UHFFFAOYSA-N -1 3 269.659 3.340 20 0 CGADHM Cc1cncnc1Nc1c(Cl)ccc([O-])c1F ZINC001214558976 815424841 /nfs/dbraw/zinc/42/48/41/815424841.db2.gz BADZYVWMJAIOIJ-UHFFFAOYSA-N -1 3 253.664 3.027 20 0 CGADHM COc1ccccc1OC(=O)Nc1ccc([O-])cc1F ZINC001195261896 811234620 /nfs/dbraw/zinc/23/46/20/811234620.db2.gz LWNZAYWKTVYEFG-UHFFFAOYSA-N -1 3 277.251 3.151 20 0 CGADHM CCCc1cccc(NC(=S)[N-]C(=O)OCC)c1 ZINC001195494649 811262219 /nfs/dbraw/zinc/26/22/19/811262219.db2.gz ONHLLDRGTWEDAK-UHFFFAOYSA-N -1 3 266.366 3.082 20 0 CGADHM Cc1cc(CO)ccc1Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001214673335 815441914 /nfs/dbraw/zinc/44/19/14/815441914.db2.gz YUCXIEAWSNIXEJ-UHFFFAOYSA-N -1 3 295.342 3.122 20 0 CGADHM CC[C@H](C)NC(=S)Nc1c([O-])cccc1Cl ZINC001200481658 811701118 /nfs/dbraw/zinc/70/11/18/811701118.db2.gz DEOQHDFABYSKOP-ZETCQYMHSA-N -1 3 258.774 3.131 20 0 CGADHM [O-]c1cccc(F)c1NC(=S)NC1CCCCC1 ZINC001200651375 811728106 /nfs/dbraw/zinc/72/81/06/811728106.db2.gz LLYHQZOPGUOOIY-UHFFFAOYSA-N -1 3 268.357 3.150 20 0 CGADHM O=C(Nc1ccccc1F)Nc1ncc([O-])cc1Cl ZINC001201991889 811992240 /nfs/dbraw/zinc/99/22/40/811992240.db2.gz RETWCEMAECJPOB-UHFFFAOYSA-N -1 3 281.674 3.224 20 0 CGADHM O=C(Nc1ccc([O-])c(F)c1)Nc1c(F)cccc1F ZINC001202041480 812003289 /nfs/dbraw/zinc/00/32/89/812003289.db2.gz JPDAAEGBLIVBGZ-UHFFFAOYSA-N -1 3 282.221 3.454 20 0 CGADHM Cc1ncc(Nc2csc3ccccc23)c(=O)[n-]1 ZINC001202165440 812027181 /nfs/dbraw/zinc/02/71/81/812027181.db2.gz IQSWYEKOYGREOM-UHFFFAOYSA-N -1 3 257.318 3.449 20 0 CGADHM CC(=O)c1cccc([O-])c1NC(=O)Nc1ccc(F)cc1 ZINC001202357516 812073866 /nfs/dbraw/zinc/07/38/66/812073866.db2.gz UIHWIKWZNVHUIM-UHFFFAOYSA-N -1 3 288.278 3.378 20 0 CGADHM Cc1nc(Nc2ccc(F)c(F)c2OC(C)C)cc(=O)[n-]1 ZINC001215420677 815518404 /nfs/dbraw/zinc/51/84/04/815518404.db2.gz GOWZAVQUSZOHDS-UHFFFAOYSA-N -1 3 295.289 3.300 20 0 CGADHM Cc1nc(Nc2cncc(Oc3ccccc3)c2)cc(=O)[n-]1 ZINC001203557034 812390240 /nfs/dbraw/zinc/39/02/40/812390240.db2.gz URTIJINKCANXTF-UHFFFAOYSA-N -1 3 294.314 3.422 20 0 CGADHM [O-]c1c(F)c(F)ccc1Nc1cc2n[nH]cc2c(F)c1 ZINC001215558291 815535317 /nfs/dbraw/zinc/53/53/17/815535317.db2.gz NZXVNAZVDWKWJR-UHFFFAOYSA-N -1 3 279.221 3.429 20 0 CGADHM [O-]c1c(F)c(F)ccc1Nc1cc2[nH]ncc2c(F)c1 ZINC001215558291 815535322 /nfs/dbraw/zinc/53/53/22/815535322.db2.gz NZXVNAZVDWKWJR-UHFFFAOYSA-N -1 3 279.221 3.429 20 0 CGADHM CCCOc1ccc(F)c(Nc2cc(=O)[n-]c(C)n2)c1F ZINC001215566845 815535602 /nfs/dbraw/zinc/53/56/02/815535602.db2.gz HXZGBWJPXDDUPS-UHFFFAOYSA-N -1 3 295.289 3.301 20 0 CGADHM [O-]c1cc(F)c(Nc2nc(F)c(F)cc2F)cc1F ZINC001215570314 815536150 /nfs/dbraw/zinc/53/61/50/815536150.db2.gz DGYHMTFPFHUGSF-UHFFFAOYSA-N -1 3 276.164 3.226 20 0 CGADHM Cc1ccc([C@H]2CCCN2Cc2ccc(C(=O)[O-])cc2)cn1 ZINC001204156666 812559482 /nfs/dbraw/zinc/55/94/82/812559482.db2.gz HVAZUZPWPZIYQP-QGZVFWFLSA-N -1 3 296.370 3.425 20 0 CGADHM OCc1cc(-c2cc(C(F)(F)F)[n-]c(=S)n2)cs1 ZINC001205272156 812925168 /nfs/dbraw/zinc/92/51/68/812925168.db2.gz UWVXOXVPPKWIJU-UHFFFAOYSA-N -1 3 292.307 3.005 20 0 CGADHM Cn1ccc2cc(Nc3cc(F)c([O-])cc3F)cnc21 ZINC001205765852 813070593 /nfs/dbraw/zinc/07/05/93/813070593.db2.gz SNVPELMCRZIYLE-UHFFFAOYSA-N -1 3 275.258 3.301 20 0 CGADHM Cc1ccc(Nc2ncc(Cl)cc2[O-])c2c[nH]nc21 ZINC001215755069 815576527 /nfs/dbraw/zinc/57/65/27/815576527.db2.gz HPKFJIXGGUCNSX-UHFFFAOYSA-N -1 3 274.711 3.369 20 0 CGADHM COc1cccc2c1ncnc2-c1ccc([O-])cc1F ZINC001206021538 813168784 /nfs/dbraw/zinc/16/87/84/813168784.db2.gz PGONIAIYSNOYRY-UHFFFAOYSA-N -1 3 270.263 3.150 20 0 CGADHM [O-]c1ccc(CN2CC(F)(c3ccccc3F)C2)cc1F ZINC001206187757 813232028 /nfs/dbraw/zinc/23/20/28/813232028.db2.gz UUIKBQHPYXRVJK-UHFFFAOYSA-N -1 3 293.288 3.351 20 0 CGADHM COCc1cc(C)c(-c2cccc(-c3nnn[n-]3)c2)c(C)c1 ZINC001206330427 813291607 /nfs/dbraw/zinc/29/16/07/813291607.db2.gz CCWSZCXKCAMPFV-UHFFFAOYSA-N -1 3 294.358 3.297 20 0 CGADHM COCc1cc(C)c(-c2cccc(-c3nn[n-]n3)c2)c(C)c1 ZINC001206330427 813291610 /nfs/dbraw/zinc/29/16/10/813291610.db2.gz CCWSZCXKCAMPFV-UHFFFAOYSA-N -1 3 294.358 3.297 20 0 CGADHM O=C1N=NC(=O)c2c(Nc3cccc(F)c3[O-])cccc21 ZINC001210198535 814335650 /nfs/dbraw/zinc/33/56/50/814335650.db2.gz XQCAEMTZYYMUDQ-UHFFFAOYSA-N -1 3 285.234 3.021 20 0 CGADHM CN1Cc2ccc(Nc3cccc(Cl)c3[O-])cc2C1=O ZINC001210222265 814349290 /nfs/dbraw/zinc/34/92/90/814349290.db2.gz YARSBPGNSAUCPV-UHFFFAOYSA-N -1 3 288.734 3.375 20 0 CGADHM CNC(=O)c1ccccc1Nc1cccc(Cl)c1[O-] ZINC001210222155 814349294 /nfs/dbraw/zinc/34/92/94/814349294.db2.gz QTNYHZOAOMFKRP-UHFFFAOYSA-N -1 3 276.723 3.149 20 0 CGADHM CCOc1cc(Nc2cccc(Cl)c2[O-])no1 ZINC001210220756 814349483 /nfs/dbraw/zinc/34/94/83/814349483.db2.gz QTSKLANAGWKITR-UHFFFAOYSA-N -1 3 254.673 3.176 20 0 CGADHM O=C1NCc2cccc(Nc3cccc(Cl)c3[O-])c2N1 ZINC001210223012 814350584 /nfs/dbraw/zinc/35/05/84/814350584.db2.gz HDBSLCSPQUQOMK-UHFFFAOYSA-N -1 3 289.722 3.424 20 0 CGADHM CC(=O)c1ccc([N-]c2nnc(C(C)(C)C)s2)cn1 ZINC001210271204 814372194 /nfs/dbraw/zinc/37/21/94/814372194.db2.gz SFQTWNVREAKVKE-UHFFFAOYSA-N -1 3 276.365 3.177 20 0 CGADHM COCCCn1cc(Nc2cccc(Cl)c2[O-])cn1 ZINC001210422898 814452213 /nfs/dbraw/zinc/45/22/13/814452213.db2.gz OZGSGAWYMSTZRM-UHFFFAOYSA-N -1 3 281.743 3.022 20 0 CGADHM Cn1nc(C2CC2)cc1Nc1cccc([O-])c1Cl ZINC001210844867 814649755 /nfs/dbraw/zinc/64/97/55/814649755.db2.gz OLBICXOLLPMHBE-UHFFFAOYSA-N -1 3 263.728 3.400 20 0 CGADHM Cc1ccc(N)c2nn(-c3cccc([O-])c3Cl)cc21 ZINC001210854395 814652042 /nfs/dbraw/zinc/65/20/42/814652042.db2.gz UCOXYNWNNUCGAU-UHFFFAOYSA-N -1 3 273.723 3.275 20 0 CGADHM Cc1cc(Nc2cccc([O-])c2Cl)cc(=O)o1 ZINC001210853884 814652363 /nfs/dbraw/zinc/65/23/63/814652363.db2.gz OIKAGVYPZVYKTN-UHFFFAOYSA-N -1 3 251.669 3.051 20 0 CGADHM CC(=O)Nc1ccc(O)c(Nc2cccc([O-])c2Cl)c1 ZINC001210859168 814653511 /nfs/dbraw/zinc/65/35/11/814653511.db2.gz DGVVHSAVIQOKAM-UHFFFAOYSA-N -1 3 292.722 3.453 20 0 CGADHM Nc1cccc(Nc2cccc([O-])c2Cl)c1O ZINC001210859335 814653831 /nfs/dbraw/zinc/65/38/31/814653831.db2.gz HJOREYUSGFEKAY-UHFFFAOYSA-N -1 3 250.685 3.077 20 0 CGADHM [O-]c1cc(Nc2c[nH]c3ncccc23)c(F)cc1F ZINC001210941035 814682564 /nfs/dbraw/zinc/68/25/64/814682564.db2.gz CSOGDZFTCPQJDC-UHFFFAOYSA-N -1 3 261.231 3.290 20 0 CGADHM COc1ncc([N-]c2noc(C(C)(C)C)n2)cc1Cl ZINC001211045988 814720535 /nfs/dbraw/zinc/72/05/35/814720535.db2.gz RKVSYPZPCOINLW-UHFFFAOYSA-N -1 3 282.731 3.168 20 0 CGADHM COc1ncc(Nc2cc(F)c([O-])cc2F)cc1Cl ZINC001211048321 814721836 /nfs/dbraw/zinc/72/18/36/814721836.db2.gz RPXRONNLEJUOHX-UHFFFAOYSA-N -1 3 286.665 3.471 20 0 CGADHM COc1cccc(Nc2cccc([O-])c2Br)n1 ZINC001211304257 814875787 /nfs/dbraw/zinc/87/57/87/814875787.db2.gz LWOIPQRMHLMWJF-UHFFFAOYSA-N -1 3 295.136 3.302 20 0 CGADHM COC(=O)c1cc(Nc2ncc(Cl)cc2[O-])ccc1F ZINC001215851171 815613784 /nfs/dbraw/zinc/61/37/84/815613784.db2.gz IMKDMDHISDJKRN-UHFFFAOYSA-N -1 3 296.685 3.110 20 0 CGADHM CCc1cccc(C)c1-c1ccc2[n-]c(C(=O)OC)nc2n1 ZINC001242817372 823144135 /nfs/dbraw/zinc/14/41/35/823144135.db2.gz OFHQSCHVZLSJHT-UHFFFAOYSA-N -1 3 295.342 3.282 20 0 CGADHM CCc1cccc(C)c1-c1ccc2nc(C(=O)OC)[n-]c2n1 ZINC001242817372 823144136 /nfs/dbraw/zinc/14/41/36/823144136.db2.gz OFHQSCHVZLSJHT-UHFFFAOYSA-N -1 3 295.342 3.282 20 0 CGADHM CCc1cccc(C)c1-c1ccc2nc(C(=O)OC)nc-2[n-]1 ZINC001242817372 823144137 /nfs/dbraw/zinc/14/41/37/823144137.db2.gz OFHQSCHVZLSJHT-UHFFFAOYSA-N -1 3 295.342 3.282 20 0 CGADHM COc1ncc(Nc2ccc(C)c([O-])c2Cl)cc1O ZINC001216210068 815739422 /nfs/dbraw/zinc/73/94/22/815739422.db2.gz UBQGFODNLKBLGU-UHFFFAOYSA-N -1 3 280.711 3.207 20 0 CGADHM Cc1nc(Nc2ccc(C(C)C)nc2Cl)cc(=O)[n-]1 ZINC001216443332 815831183 /nfs/dbraw/zinc/83/11/83/815831183.db2.gz MRPKSLAPHIQBOM-UHFFFAOYSA-N -1 3 278.743 3.406 20 0 CGADHM c1cc([N-]c2nonc2C2CC2)cc(OCC2CCC2)n1 ZINC001216594139 815870412 /nfs/dbraw/zinc/87/04/12/815870412.db2.gz ADCPVRYNVSOPET-UHFFFAOYSA-N -1 3 286.335 3.265 20 0 CGADHM O=c1[n-]cncc1Nc1ccc2c(c1)Cc1ccccc1-2 ZINC001216644152 815885608 /nfs/dbraw/zinc/88/56/08/815885608.db2.gz UKEFEEAXFHLDKR-UHFFFAOYSA-N -1 3 275.311 3.497 20 0 CGADHM Cc1cccc(-c2noc(-c3cc([O-])cc(Cl)c3)n2)n1 ZINC001216702415 815894620 /nfs/dbraw/zinc/89/46/20/815894620.db2.gz RTPRQFOAKHMOAK-UHFFFAOYSA-N -1 3 287.706 3.466 20 0 CGADHM Cc1cc(-c2nnn[n-]2)ccc1-c1ccccc1Cl ZINC001222451071 816447043 /nfs/dbraw/zinc/44/70/43/816447043.db2.gz OQYCZZVSVNSYHU-UHFFFAOYSA-N -1 3 270.723 3.496 20 0 CGADHM Cc1cc(-c2nn[n-]n2)ccc1-c1ccccc1Cl ZINC001222451071 816447049 /nfs/dbraw/zinc/44/70/49/816447049.db2.gz OQYCZZVSVNSYHU-UHFFFAOYSA-N -1 3 270.723 3.496 20 0 CGADHM O=c1c(-c2ccc(F)c([O-])c2)cccn1-c1cccc(F)c1 ZINC001243046523 823224143 /nfs/dbraw/zinc/22/41/43/823224143.db2.gz KCYQXSOIQFETIA-UHFFFAOYSA-N -1 3 299.276 3.488 20 0 CGADHM CC(C)COc1ncc(-c2ccc(F)c([O-])c2)cn1 ZINC001243046032 823224253 /nfs/dbraw/zinc/22/42/53/823224253.db2.gz FOXYZFDTURLNPX-UHFFFAOYSA-N -1 3 262.284 3.023 20 0 CGADHM COC(=O)c1ccc(C)cc1-c1ccc(F)c([O-])c1 ZINC001243048728 823225971 /nfs/dbraw/zinc/22/59/71/823225971.db2.gz IQMPUJRUNVLCNM-UHFFFAOYSA-N -1 3 260.264 3.293 20 0 CGADHM O=C1c2cccc(-c3ccc(F)c([O-])c3)c2CN1C1CC1 ZINC001243051940 823228295 /nfs/dbraw/zinc/22/82/95/823228295.db2.gz QILNQGMNWAUYGV-UHFFFAOYSA-N -1 3 283.302 3.317 20 0 CGADHM CSc1cc(-c2ccc(F)c([O-])c2)ncc1F ZINC001243049325 823226988 /nfs/dbraw/zinc/22/69/88/823226988.db2.gz QBRXDVBRVWNKES-UHFFFAOYSA-N -1 3 253.273 3.454 20 0 CGADHM [O-]c1cc(-c2ccc(N3CCOCC3)c(F)c2)ccc1F ZINC001243051033 823227295 /nfs/dbraw/zinc/22/72/95/823227295.db2.gz KLEPPPQNALFCCU-UHFFFAOYSA-N -1 3 291.297 3.174 20 0 CGADHM CC1(C)CC(=O)Nc2nc(-c3ccc(F)c([O-])c3)ccc21 ZINC001243050709 823227590 /nfs/dbraw/zinc/22/75/90/823227590.db2.gz RLEXFOYIIOABRO-UHFFFAOYSA-N -1 3 286.306 3.213 20 0 CGADHM Cc1nc2c(ncc(-c3ccc(F)c([O-])c3)c2C)[nH]1 ZINC001243050948 823227610 /nfs/dbraw/zinc/22/76/10/823227610.db2.gz LTRSQPLUCQCFTN-UHFFFAOYSA-N -1 3 257.268 3.086 20 0 CGADHM O=c1ccc2ccc(-c3ccc(F)c([O-])c3)cc2o1 ZINC001243060988 823232300 /nfs/dbraw/zinc/23/23/00/823232300.db2.gz BRBMKFLSUPTGKN-UHFFFAOYSA-N -1 3 256.232 3.305 20 0 CGADHM [O-]c1cc(-c2cc(F)cc3nccnc32)ccc1F ZINC001243063066 823232467 /nfs/dbraw/zinc/23/24/67/823232467.db2.gz SHOAZUSWUVNSTK-UHFFFAOYSA-N -1 3 258.227 3.281 20 0 CGADHM Cc1cnc(=S)[n-]c1O[C@H]1CCc2cc(F)ccc21 ZINC001225740707 817163057 /nfs/dbraw/zinc/16/30/57/817163057.db2.gz IVGXMRKKHLHOHB-LBPRGKRZSA-N -1 3 276.336 3.279 20 0 CGADHM CC(=O)c1ccc([O-])c(O[C@H](C)c2ccc(C)nc2)c1 ZINC001225992872 817241542 /nfs/dbraw/zinc/24/15/42/817241542.db2.gz CSAIMCYHNDDMSK-GFCCVEGCSA-N -1 3 271.316 3.438 20 0 CGADHM CC(=O)c1ccc([O-])c(O[C@@H]2CCC(F)(F)C2)c1 ZINC001225992826 817242625 /nfs/dbraw/zinc/24/26/25/817242625.db2.gz CCPJWFQDXWKLRR-SNVBAGLBSA-N -1 3 256.248 3.161 20 0 CGADHM CC(=O)c1ccc([O-])c(O[C@H]2CCCc3cccnc32)c1 ZINC001225997544 817243791 /nfs/dbraw/zinc/24/37/91/817243791.db2.gz DAIWUIIQFDYTLY-HNNXBMFYSA-N -1 3 283.327 3.446 20 0 CGADHM CC(=O)c1ccc([O-])c(OC2Cc3ccccc3C2)c1 ZINC001225999622 817244515 /nfs/dbraw/zinc/24/45/15/817244515.db2.gz ZOCNVSROMQHLJX-UHFFFAOYSA-N -1 3 268.312 3.141 20 0 CGADHM CC[C@@H](Oc1nc[n-]c(=O)c1C)c1cccc(F)c1C ZINC001226077649 817267241 /nfs/dbraw/zinc/26/72/41/817267241.db2.gz SOPPDXOWXYWZKS-CYBMUJFWSA-N -1 3 276.311 3.468 20 0 CGADHM CCc1nc(O[C@@H](C)c2cccc(F)c2)cc(=O)[n-]1 ZINC001226473375 817368809 /nfs/dbraw/zinc/36/88/09/817368809.db2.gz WBDHATPFSVZNTN-VIFPVBQESA-N -1 3 262.284 3.024 20 0 CGADHM CCc1nc(O[C@H](c2ccccc2)C(F)(F)F)cc(=O)[n-]1 ZINC001226472832 817368824 /nfs/dbraw/zinc/36/88/24/817368824.db2.gz NYSAOMGJYVLXJG-CYBMUJFWSA-N -1 3 298.264 3.427 20 0 CGADHM CCc1nc(O[C@H](C)c2ccc(OC)cc2F)cc(=O)[n-]1 ZINC001226476917 817370713 /nfs/dbraw/zinc/37/07/13/817370713.db2.gz UMQXXHBVUYCWAI-SECBINFHSA-N -1 3 292.310 3.032 20 0 CGADHM Cc1cnc(F)c(-c2cc(C(F)(F)F)[n-]c(=S)n2)c1 ZINC001243163892 823269077 /nfs/dbraw/zinc/26/90/77/823269077.db2.gz TWIFABOUUFVDHI-UHFFFAOYSA-N -1 3 289.257 3.294 20 0 CGADHM Cc1ccc([C@H](Oc2cc(=O)[n-]cn2)C(F)(F)F)cc1 ZINC001226945059 817513147 /nfs/dbraw/zinc/51/31/47/817513147.db2.gz OEUWFSOSVKAHTN-LBPRGKRZSA-N -1 3 284.237 3.173 20 0 CGADHM CC[C@@H](C)Oc1cccc([O-])c1I ZINC001227380060 817635501 /nfs/dbraw/zinc/63/55/01/817635501.db2.gz JWRJDCIIPLEYMR-SSDOTTSWSA-N -1 3 292.116 3.174 20 0 CGADHM CCCc1cc(O[C@H]2CCc3cccnc32)[n-]c(=S)n1 ZINC001227422522 817645931 /nfs/dbraw/zinc/64/59/31/817645931.db2.gz PGJZPNYCRGKWNS-LBPRGKRZSA-N -1 3 287.388 3.179 20 0 CGADHM O=c1cc(OC2CCSCC2)[n-]c(C(F)(F)F)c1 ZINC001227587256 817678168 /nfs/dbraw/zinc/67/81/68/817678168.db2.gz QQGNIELMTZOLPR-UHFFFAOYSA-N -1 3 279.283 3.080 20 0 CGADHM CCCC/C=C/[C@@H](C)Oc1[nH]c(=S)nc2nc[n-]c21 ZINC001227615958 817682748 /nfs/dbraw/zinc/68/27/48/817682748.db2.gz HVHRLDGNXWZMAD-XCODYQFDSA-N -1 3 278.381 3.155 20 0 CGADHM CC[C@H](C)C[C@H](CC)Oc1nc(C(=O)OC)ccc1[O-] ZINC001227820158 817727260 /nfs/dbraw/zinc/72/72/60/817727260.db2.gz OVTRHKKYZVPXTD-QWRGUYRKSA-N -1 3 281.352 3.167 20 0 CGADHM Cc1ccc([C@@H](C)Oc2[n-]c(=O)nc3cccnc32)c(C)c1 ZINC001228009458 817783125 /nfs/dbraw/zinc/78/31/25/817783125.db2.gz TVUVYGNZFCOSMF-GFCCVEGCSA-N -1 3 295.342 3.487 20 0 CGADHM CC[C@@H]1CCCC[C@@H]1Oc1n[n-]c(-c2ccncc2)n1 ZINC001228697641 817976849 /nfs/dbraw/zinc/97/68/49/817976849.db2.gz MSPRCISNEKLOJG-YPMHNXCESA-N -1 3 272.352 3.214 20 0 CGADHM CCC(CC)[C@H](CC)Oc1n[n-]c(-c2ccncc2)n1 ZINC001228698421 817980057 /nfs/dbraw/zinc/98/00/57/817980057.db2.gz YDJQHYSJKZSGGC-ZDUSSCGKSA-N -1 3 274.368 3.460 20 0 CGADHM Fc1ccc2c(c1)CC[C@@H]2Oc1n[n-]c(-c2ccncc2)n1 ZINC001228700636 817980269 /nfs/dbraw/zinc/98/02/69/817980269.db2.gz UZXJRVLNWBGGIC-AWEZNQCLSA-N -1 3 296.305 3.072 20 0 CGADHM C[C@H]1CC[C@H](Oc2cc3c(cc2[O-])CCC3=O)CC1 ZINC001228854285 818024244 /nfs/dbraw/zinc/02/42/44/818024244.db2.gz QJVXDIQYNDLKRD-UMSPYCQHSA-N -1 3 260.333 3.479 20 0 CGADHM CCC[C@@H](Oc1cccc(-c2nnn[n-]2)c1)C(C)C ZINC001231117438 818034299 /nfs/dbraw/zinc/03/42/99/818034299.db2.gz AXUBRGOWUJWNOL-CYBMUJFWSA-N -1 3 260.341 3.070 20 0 CGADHM CCC[C@@H](Oc1cccc(-c2nn[n-]n2)c1)C(C)C ZINC001231117438 818034303 /nfs/dbraw/zinc/03/43/03/818034303.db2.gz AXUBRGOWUJWNOL-CYBMUJFWSA-N -1 3 260.341 3.070 20 0 CGADHM C[C@@H]1CC[C@@H](C)[C@H](Oc2cccc(-c3nnn[n-]3)c2)C1 ZINC001231118498 818035867 /nfs/dbraw/zinc/03/58/67/818035867.db2.gz PRHONVHRQMIDBL-JTNHKYCSSA-N -1 3 272.352 3.070 20 0 CGADHM C[C@@H]1CC[C@@H](C)[C@H](Oc2cccc(-c3nn[n-]n3)c2)C1 ZINC001231118498 818035871 /nfs/dbraw/zinc/03/58/71/818035871.db2.gz PRHONVHRQMIDBL-JTNHKYCSSA-N -1 3 272.352 3.070 20 0 CGADHM C[C@@H]1CCC[C@@H](Oc2cccc(-c3nnn[n-]3)c2)[C@@H]1C ZINC001231118621 818036667 /nfs/dbraw/zinc/03/66/67/818036667.db2.gz SHADEVKCVMTCCM-JTNHKYCSSA-N -1 3 272.352 3.070 20 0 CGADHM C[C@@H]1CCC[C@@H](Oc2cccc(-c3nn[n-]n3)c2)[C@@H]1C ZINC001231118621 818036675 /nfs/dbraw/zinc/03/66/75/818036675.db2.gz SHADEVKCVMTCCM-JTNHKYCSSA-N -1 3 272.352 3.070 20 0 CGADHM CC1(F)CCN(Cc2ccc(Cl)c([O-])c2)CC1 ZINC001231733047 818162207 /nfs/dbraw/zinc/16/22/07/818162207.db2.gz KQXZRJUOQBQIKZ-UHFFFAOYSA-N -1 3 257.736 3.370 20 0 CGADHM CN(Cc1ccc(Cl)c([O-])c1)Cc1ccccn1 ZINC001231732752 818162285 /nfs/dbraw/zinc/16/22/85/818162285.db2.gz FDGITBYZZDVPDB-UHFFFAOYSA-N -1 3 262.740 3.073 20 0 CGADHM CO[C@@H]1CCN(Cc2ccc(Cl)c([O-])c2)[C@@H](C)C1 ZINC001231735861 818163392 /nfs/dbraw/zinc/16/33/92/818163392.db2.gz XIWAPPSGOMWFEQ-CMPLNLGQSA-N -1 3 269.772 3.045 20 0 CGADHM CN(CCc1cccs1)Cc1ccc(F)c([O-])c1F ZINC001232934212 818475170 /nfs/dbraw/zinc/47/51/70/818475170.db2.gz BURWIONLBBAARI-UHFFFAOYSA-N -1 3 283.343 3.406 20 0 CGADHM C[C@H]1CCN(Cc2cc(Cl)ncc2[O-])CCC1(F)F ZINC001233032591 818505281 /nfs/dbraw/zinc/50/52/81/818505281.db2.gz MIZKCFHTXSRHRT-VIFPVBQESA-N -1 3 290.741 3.308 20 0 CGADHM CN(Cc1ccccc1)Cc1cc(Cl)ncc1[O-] ZINC001233032535 818505982 /nfs/dbraw/zinc/50/59/82/818505982.db2.gz IAOPGCYGXBKRAN-UHFFFAOYSA-N -1 3 262.740 3.073 20 0 CGADHM [O-]c1cccc(CN2CC[C@@H](F)C(F)(F)CC2)c1F ZINC001233049325 818509653 /nfs/dbraw/zinc/50/96/53/818509653.db2.gz BXWCOMVXXCPPPA-LLVKDONJSA-N -1 3 277.261 3.101 20 0 CGADHM [O-]c1cccc(CN2CCC(C(F)F)CC2)c1F ZINC001233058089 818514952 /nfs/dbraw/zinc/51/49/52/818514952.db2.gz SUCPBCRQVCUTPI-UHFFFAOYSA-N -1 3 259.271 3.008 20 0 CGADHM Cc1nnc(C2CCN(Cc3ccc([S-])cc3)CC2)o1 ZINC001233261735 818557975 /nfs/dbraw/zinc/55/79/75/818557975.db2.gz BSCMDMLARXNGNO-UHFFFAOYSA-N -1 3 289.404 3.046 20 0 CGADHM [O-]c1ccc(F)c(CN2CC[C@H](F)C(F)(F)CC2)c1F ZINC001233393153 818609370 /nfs/dbraw/zinc/60/93/70/818609370.db2.gz FDUZQTOWXCRUHZ-NSHDSACASA-N -1 3 295.251 3.240 20 0 CGADHM CCO[C@@H]1CCCN(Cc2ccc(OC)c([O-])c2Cl)C1 ZINC001233399896 818610171 /nfs/dbraw/zinc/61/01/71/818610171.db2.gz NNSSLQDWLKPAMF-GFCCVEGCSA-N -1 3 299.798 3.055 20 0 CGADHM COc1ccc(CN2CCC[C@](C)(F)C2)c(Cl)c1[O-] ZINC001233398082 818610465 /nfs/dbraw/zinc/61/04/65/818610465.db2.gz XMZNLFGPGLIUBN-AWEZNQCLSA-N -1 3 287.762 3.378 20 0 CGADHM CC[C@H]1CCCCN1Cc1c(F)ccc([O-])c1F ZINC001233396114 818611347 /nfs/dbraw/zinc/61/13/47/818611347.db2.gz KKZAQQNTHRRMMZ-JTQLQIEISA-N -1 3 255.308 3.435 20 0 CGADHM C[C@@H]1CC[C@@H](Oc2ccc3occ([O-])c3c2)C[C@@H]1C ZINC001233677693 818677481 /nfs/dbraw/zinc/67/74/81/818677481.db2.gz NBBAYTGRZNMMHA-GRYCIOLGSA-N -1 3 260.333 3.465 20 0 CGADHM C[C@H](Oc1ccc2occ([O-])c2c1)c1cccc(N(C)C)c1 ZINC001233681297 818678736 /nfs/dbraw/zinc/67/87/36/818678736.db2.gz TUZBDCQNJURQEB-LBPRGKRZSA-N -1 3 297.354 3.468 20 0 CGADHM CC(C)C[C@@H](Oc1cccc([O-])c1F)C(=O)OC(C)C ZINC001233867161 818720512 /nfs/dbraw/zinc/72/05/12/818720512.db2.gz CPAPRRJKFLFHPK-CYBMUJFWSA-N -1 3 284.327 3.276 20 0 CGADHM C[C@H](Oc1cccc([O-])c1F)c1ccncc1F ZINC001233870677 818722331 /nfs/dbraw/zinc/72/23/31/818722331.db2.gz GWIQOPZWYMOMIP-QMMMGPOBSA-N -1 3 251.232 3.205 20 0 CGADHM CCC[C@H]1CCCC[C@@H]1Oc1cccc([O-])c1C(N)=O ZINC001234149088 818792648 /nfs/dbraw/zinc/79/26/48/818792648.db2.gz MEFOTOVOBPKGKV-AAEUAGOBSA-N -1 3 277.364 3.229 20 0 CGADHM CC[C@@H](C)C[C@H](CC)Oc1cccc([O-])c1C(N)=O ZINC001234150819 818793411 /nfs/dbraw/zinc/79/34/11/818793411.db2.gz YJIVXJDCVKPSDS-MNOVXSKESA-N -1 3 265.353 3.085 20 0 CGADHM CC(C)[C@@H](Oc1nc2c(cccc2[O-])[nH]1)C(F)(F)F ZINC001234445602 818856265 /nfs/dbraw/zinc/85/62/65/818856265.db2.gz AXGLITKIBXHFFH-SNVBAGLBSA-N -1 3 274.242 3.234 20 0 CGADHM C[C@@H](COc1nc2c(cccc2[O-])[nH]1)OCc1ccccc1 ZINC001234446757 818857586 /nfs/dbraw/zinc/85/75/86/818857586.db2.gz HMEJTQVVDGZZHL-LBPRGKRZSA-N -1 3 298.342 3.253 20 0 CGADHM [O-]c1cccc2[nH]c(O[C@@H](c3cccnc3)C3CC3)nc21 ZINC001234447847 818857895 /nfs/dbraw/zinc/85/78/95/818857895.db2.gz PWQTZHACXYLJJH-OAHLLOKOSA-N -1 3 281.315 3.194 20 0 CGADHM O=c1[n-]cnc(O[C@@H]2C[C@H]3C[C@H]3C2)c1-c1ccccc1 ZINC001234691467 818916620 /nfs/dbraw/zinc/91/66/20/818916620.db2.gz JMSHJWGNFGDLAU-CLLJXQQHSA-N -1 3 268.316 3.027 20 0 CGADHM COC(C)(C)C[C@@H](C)Oc1nc2ccsc2[n-]1 ZINC001234846992 818932275 /nfs/dbraw/zinc/93/22/75/818932275.db2.gz GJFDRSJZSOXSPS-MRVPVSSYSA-N -1 3 254.355 3.207 20 0 CGADHM COC(C)(C)C[C@@H](C)Oc1nc2sccc2[n-]1 ZINC001234846992 818932278 /nfs/dbraw/zinc/93/22/78/818932278.db2.gz GJFDRSJZSOXSPS-MRVPVSSYSA-N -1 3 254.355 3.207 20 0 CGADHM C[C@@H](COc1nc2ccsc2[n-]1)Oc1ccccc1 ZINC001234849188 818933193 /nfs/dbraw/zinc/93/31/93/818933193.db2.gz ZKPOKKOLWADNJC-JTQLQIEISA-N -1 3 274.345 3.471 20 0 CGADHM C[C@@H](COc1nc2sccc2[n-]1)Oc1ccccc1 ZINC001234849188 818933199 /nfs/dbraw/zinc/93/31/99/818933199.db2.gz ZKPOKKOLWADNJC-JTQLQIEISA-N -1 3 274.345 3.471 20 0 CGADHM CCC[C@@H](CC(=O)OCC)Oc1nc2ccsc2[n-]1 ZINC001234849148 818933523 /nfs/dbraw/zinc/93/35/23/818933523.db2.gz YUPLWWQRZNSHAX-VIFPVBQESA-N -1 3 282.365 3.125 20 0 CGADHM CCC[C@@H](CC(=O)OCC)Oc1nc2sccc2[n-]1 ZINC001234849148 818933528 /nfs/dbraw/zinc/93/35/28/818933528.db2.gz YUPLWWQRZNSHAX-VIFPVBQESA-N -1 3 282.365 3.125 20 0 CGADHM [O-]c1cc(Cl)cc(-c2ccc(N3CCCC3)nn2)c1 ZINC001235899767 819208869 /nfs/dbraw/zinc/20/88/69/819208869.db2.gz NXMFDOUPXYQSFP-UHFFFAOYSA-N -1 3 275.739 3.103 20 0 CGADHM COC(=O)c1cc(F)c(C)nc1-c1cc([O-])cc(Cl)c1 ZINC001235900486 819210732 /nfs/dbraw/zinc/21/07/32/819210732.db2.gz NXSWOFNGCMHKDF-UHFFFAOYSA-N -1 3 295.697 3.342 20 0 CGADHM COC(=O)c1ccc(C)c(-c2cc([O-])cc(Cl)c2)n1 ZINC001235901500 819211603 /nfs/dbraw/zinc/21/16/03/819211603.db2.gz VQLONQDVIWPJAX-UHFFFAOYSA-N -1 3 277.707 3.203 20 0 CGADHM Cc1cnc(-c2ccc(C(=O)[O-])c(C)c2Cl)cc1N ZINC001236116542 819327476 /nfs/dbraw/zinc/32/74/76/819327476.db2.gz VCGIETDHYFSJQJ-UHFFFAOYSA-N -1 3 276.723 3.299 20 0 CGADHM COC(=O)c1ccc(F)c(-c2c(F)ccc(C)c2[O-])c1 ZINC001236402020 819450832 /nfs/dbraw/zinc/45/08/32/819450832.db2.gz FQLFVDCSJXRENG-UHFFFAOYSA-N -1 3 278.254 3.432 20 0 CGADHM Cc1ccc(-c2ccnc(OC(C)C)c2)cc1-c1nnn[n-]1 ZINC001236571446 819540226 /nfs/dbraw/zinc/54/02/26/819540226.db2.gz ZOECBSRVBYBDAE-UHFFFAOYSA-N -1 3 295.346 3.024 20 0 CGADHM Cc1ccc(-c2ccnc(OC(C)C)c2)cc1-c1nn[n-]n1 ZINC001236571446 819540230 /nfs/dbraw/zinc/54/02/30/819540230.db2.gz ZOECBSRVBYBDAE-UHFFFAOYSA-N -1 3 295.346 3.024 20 0 CGADHM [O-]c1cc(CN2CC3(CCC3)C2)ccc1Br ZINC001236684753 819571469 /nfs/dbraw/zinc/57/14/69/819571469.db2.gz WTJQPJIZHLKRBH-UHFFFAOYSA-N -1 3 282.181 3.141 20 0 CGADHM C[C@@H]1C[C@H](F)CN1Cc1ccc(Br)c([O-])c1 ZINC001236691886 819573410 /nfs/dbraw/zinc/57/34/10/819573410.db2.gz LRKPCSOFLFYVEP-SCZZXKLOSA-N -1 3 288.160 3.087 20 0 CGADHM [O-]c1cc(CN2CCC[C@@H]2c2cccnc2)ccc1F ZINC001236703670 819576571 /nfs/dbraw/zinc/57/65/71/819576571.db2.gz POWPUIVPBGGOTI-OAHLLOKOSA-N -1 3 272.323 3.263 20 0 CGADHM C[C@@]1(F)CCCCN(Cc2ccc(F)c([O-])c2)C1 ZINC001236704325 819577494 /nfs/dbraw/zinc/57/74/94/819577494.db2.gz VTCLFAKOWOKCHH-CQSZACIVSA-N -1 3 255.308 3.245 20 0 CGADHM C[C@@]1(CF)CC(F)(F)CN1Cc1occc1[S-] ZINC001237183217 819690365 /nfs/dbraw/zinc/69/03/65/819690365.db2.gz XYFNXGDHCXYFQI-JTQLQIEISA-N -1 3 265.300 3.138 20 0 CGADHM [O-]c1cc(F)cc(CN2CCC[C@H]2C(F)(F)F)c1 ZINC001237277457 819715494 /nfs/dbraw/zinc/71/54/94/819715494.db2.gz NDCYUOOQCBVLKZ-NSHDSACASA-N -1 3 263.234 3.058 20 0 CGADHM Cc1cc(C(=O)OC(C)C)cnc1-c1cccc([O-])c1F ZINC001243542119 823436675 /nfs/dbraw/zinc/43/66/75/823436675.db2.gz LKUYKFDSEWZHDR-UHFFFAOYSA-N -1 3 289.306 3.467 20 0 CGADHM [O-]c1c(F)cc(CN2CC[C@@H]3OCCC[C@H]3C2)cc1Cl ZINC001237989758 819903015 /nfs/dbraw/zinc/90/30/15/819903015.db2.gz KGEVNGYXJCCTCV-FZMZJTMJSA-N -1 3 299.773 3.186 20 0 CGADHM Cc1cc2ncccc2nc1-c1cccc([O-])c1F ZINC001243544419 823437615 /nfs/dbraw/zinc/43/76/15/823437615.db2.gz PPWIWFLYMBMOQH-UHFFFAOYSA-N -1 3 254.264 3.450 20 0 CGADHM CCOC(=O)c1c(OC)cccc1-c1cccc([O-])c1F ZINC001243549359 823440969 /nfs/dbraw/zinc/44/09/69/823440969.db2.gz YQEYQIDHDUVIPK-UHFFFAOYSA-N -1 3 290.290 3.384 20 0 CGADHM CCOC(=O)Cc1cccc(-c2cccc([O-])c2F)c1 ZINC001243545160 823438225 /nfs/dbraw/zinc/43/82/25/823438225.db2.gz VDSXFUHUJGUVDO-UHFFFAOYSA-N -1 3 274.291 3.304 20 0 CGADHM COc1cc(F)c(-c2cccc([O-])c2F)cc1OC ZINC001243546275 823438851 /nfs/dbraw/zinc/43/88/51/823438851.db2.gz LJWKWPLTJGFNIG-UHFFFAOYSA-N -1 3 266.243 3.355 20 0 CGADHM COc1cc2nc[nH]c2cc1-c1cccc([O-])c1F ZINC001243547160 823439612 /nfs/dbraw/zinc/43/96/12/823439612.db2.gz OUZRHOCRWBMVTA-UHFFFAOYSA-N -1 3 258.252 3.083 20 0 CGADHM CC(C)COc1cnc(-c2cccc([O-])c2F)cn1 ZINC001243546993 823439970 /nfs/dbraw/zinc/43/99/70/823439970.db2.gz XDHNKPKCBCFOPT-UHFFFAOYSA-N -1 3 262.284 3.023 20 0 CGADHM COC(=O)c1nc2ccc(-c3coc4ccccc43)[n-]c-2n1 ZINC001239063315 820209604 /nfs/dbraw/zinc/20/96/04/820209604.db2.gz DVUAOVQELKEWDU-UHFFFAOYSA-N -1 3 293.282 3.158 20 0 CGADHM Nc1cncc(F)c1-c1ccc(C(F)(F)F)cc1[O-] ZINC001243607262 823465602 /nfs/dbraw/zinc/46/56/02/823465602.db2.gz SSWARGSCLPNPSV-UHFFFAOYSA-N -1 3 272.201 3.194 20 0 CGADHM c1ccc2c(c1)cccc2-c1cncc(-c2nnn[n-]2)c1 ZINC001239470997 820319924 /nfs/dbraw/zinc/31/99/24/820319924.db2.gz DEBCVFAUHYQRHZ-UHFFFAOYSA-N -1 3 273.299 3.082 20 0 CGADHM c1ccc2c(c1)cccc2-c1cncc(-c2nn[n-]n2)c1 ZINC001239470997 820319932 /nfs/dbraw/zinc/31/99/32/820319932.db2.gz DEBCVFAUHYQRHZ-UHFFFAOYSA-N -1 3 273.299 3.082 20 0 CGADHM CSc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001239497656 820345919 /nfs/dbraw/zinc/34/59/19/820345919.db2.gz JBZKYBLNLJUQHA-UHFFFAOYSA-N -1 3 268.345 3.256 20 0 CGADHM CSc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001239497656 820345925 /nfs/dbraw/zinc/34/59/25/820345925.db2.gz JBZKYBLNLJUQHA-UHFFFAOYSA-N -1 3 268.345 3.256 20 0 CGADHM c1cc2cc(-c3ccc(-c4nnn[n-]4)cc3)ccc2[nH]1 ZINC001239695745 820527163 /nfs/dbraw/zinc/52/71/63/820527163.db2.gz VSJZXQHKNLZRLF-UHFFFAOYSA-N -1 3 261.288 3.015 20 0 CGADHM c1cc2cc(-c3ccc(-c4nn[n-]n4)cc3)ccc2[nH]1 ZINC001239695745 820527169 /nfs/dbraw/zinc/52/71/69/820527169.db2.gz VSJZXQHKNLZRLF-UHFFFAOYSA-N -1 3 261.288 3.015 20 0 CGADHM CCc1ccccc1-c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001239744685 820567128 /nfs/dbraw/zinc/56/71/28/820567128.db2.gz FZQHEGMTKNSQQD-UHFFFAOYSA-N -1 3 268.295 3.235 20 0 CGADHM CCc1ccccc1-c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001239744685 820567134 /nfs/dbraw/zinc/56/71/34/820567134.db2.gz FZQHEGMTKNSQQD-UHFFFAOYSA-N -1 3 268.295 3.235 20 0 CGADHM Fc1ccc2[nH]ccc2c1-c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001240219433 820893824 /nfs/dbraw/zinc/89/38/24/820893824.db2.gz HHMJSCAIZYMQSQ-UHFFFAOYSA-N -1 3 297.268 3.293 20 0 CGADHM Fc1ccc2[nH]ccc2c1-c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001240219433 820893827 /nfs/dbraw/zinc/89/38/27/820893827.db2.gz HHMJSCAIZYMQSQ-UHFFFAOYSA-N -1 3 297.268 3.293 20 0 CGADHM COc1ccc(-c2nnn[n-]2)cc1-c1ccc(C)c(C)c1 ZINC001240702379 821258916 /nfs/dbraw/zinc/25/89/16/821258916.db2.gz YERBBQPRHNVAQZ-UHFFFAOYSA-N -1 3 280.331 3.159 20 0 CGADHM COc1ccc(-c2nn[n-]n2)cc1-c1ccc(C)c(C)c1 ZINC001240702379 821258923 /nfs/dbraw/zinc/25/89/23/821258923.db2.gz YERBBQPRHNVAQZ-UHFFFAOYSA-N -1 3 280.331 3.159 20 0 CGADHM COc1cc(-c2ccc([O-])c(F)c2)cc(F)c1F ZINC001240785938 821324763 /nfs/dbraw/zinc/32/47/63/821324763.db2.gz VSKMNENIFFSYOR-UHFFFAOYSA-N -1 3 254.207 3.485 20 0 CGADHM [O-]c1ccc(-c2ccc(Cn3ccnc3)cc2)cc1F ZINC001240787338 821329131 /nfs/dbraw/zinc/32/91/31/821329131.db2.gz YWFKYGFCLONNJK-UHFFFAOYSA-N -1 3 268.291 3.443 20 0 CGADHM COc1ccc(-c2ccc(C(=O)[O-])s2)cc1CN(C)C ZINC001240848364 821368018 /nfs/dbraw/zinc/36/80/18/821368018.db2.gz WCWFHDOXZWUNGY-UHFFFAOYSA-N -1 3 291.372 3.184 20 0 CGADHM S=C1Cc2ccc(-c3ccc4c(c3)OCO4)cc2[N-]1 ZINC001240902082 821404880 /nfs/dbraw/zinc/40/48/80/821404880.db2.gz UTYQCKFAJWLMLS-UHFFFAOYSA-N -1 3 269.325 3.378 20 0 CGADHM COc1cc2ncnc(-c3ccc(C)cc3[O-])c2c(OC)c1 ZINC001241030119 821505477 /nfs/dbraw/zinc/50/54/77/821505477.db2.gz FKFCRYZKMODDFQ-UHFFFAOYSA-N -1 3 296.326 3.328 20 0 CGADHM Cc1ccc(-c2ncnc3[nH]c(C(C)C)nc32)c([O-])c1 ZINC001241036430 821511962 /nfs/dbraw/zinc/51/19/62/821511962.db2.gz XRTOTDVBKAADJD-UHFFFAOYSA-N -1 3 268.320 3.157 20 0 CGADHM CC(C)(C)Oc1ncccc1-c1ccccc1-c1nnn[n-]1 ZINC001241142825 821597104 /nfs/dbraw/zinc/59/71/04/821597104.db2.gz IYZBFLNCBQDYIB-UHFFFAOYSA-N -1 3 295.346 3.106 20 0 CGADHM CC(C)(C)Oc1ncccc1-c1ccccc1-c1nn[n-]n1 ZINC001241142825 821597108 /nfs/dbraw/zinc/59/71/08/821597108.db2.gz IYZBFLNCBQDYIB-UHFFFAOYSA-N -1 3 295.346 3.106 20 0 CGADHM Fc1cc(F)c(-c2cc(F)cc(-c3nnn[n-]3)c2)c(F)c1 ZINC001241172626 821616241 /nfs/dbraw/zinc/61/62/41/821616241.db2.gz PSARVTDSIDJJSD-UHFFFAOYSA-N -1 3 294.211 3.090 20 0 CGADHM Fc1cc(F)c(-c2cc(F)cc(-c3nn[n-]n3)c2)c(F)c1 ZINC001241172626 821616243 /nfs/dbraw/zinc/61/62/43/821616243.db2.gz PSARVTDSIDJJSD-UHFFFAOYSA-N -1 3 294.211 3.090 20 0 CGADHM CC(=O)Nc1ccc(-c2cc([O-])cc(F)c2)cc1C ZINC001241272681 821690969 /nfs/dbraw/zinc/69/09/69/821690969.db2.gz VQMXJCRHQFQYKO-UHFFFAOYSA-N -1 3 259.280 3.465 20 0 CGADHM COC(=O)c1ccc(-c2cc([O-])cc(F)c2)c(F)c1F ZINC001241282059 821700749 /nfs/dbraw/zinc/70/07/49/821700749.db2.gz HLPRDPGNVFHKTQ-UHFFFAOYSA-N -1 3 282.217 3.263 20 0 CGADHM COc1cc(-c2cc([O-])cc(F)c2)c2cc[nH]c2n1 ZINC001241282191 821702303 /nfs/dbraw/zinc/70/23/03/821702303.db2.gz JJGHYNGHIMDCNV-UHFFFAOYSA-N -1 3 258.252 3.083 20 0 CGADHM COC(=O)c1ccc(-c2c(F)ccc([O-])c2F)cc1F ZINC001241291424 821708090 /nfs/dbraw/zinc/70/80/90/821708090.db2.gz OSATXSCGBPZMNP-UHFFFAOYSA-N -1 3 282.217 3.263 20 0 CGADHM [O-]c1ccc(F)c(-c2ccc3cncnc3c2)c1F ZINC001241291016 821708471 /nfs/dbraw/zinc/70/84/71/821708471.db2.gz HCWHIFKUHCPBGU-UHFFFAOYSA-N -1 3 258.227 3.281 20 0 CGADHM COc1cncc(-c2c(F)ccc([O-])c2F)c1C ZINC001241293303 821711018 /nfs/dbraw/zinc/71/10/18/821711018.db2.gz RGKDNNWRSVLYPZ-UHFFFAOYSA-N -1 3 251.232 3.049 20 0 CGADHM Cc1cc2c(cc1-c1c(F)ccc([O-])c1F)CC(=O)N2 ZINC001241294203 821713071 /nfs/dbraw/zinc/71/30/71/821713071.db2.gz NBEHAHIUEDXHEA-UHFFFAOYSA-N -1 3 275.254 3.140 20 0 CGADHM Cc1nc2c(ncc(-c3c(F)ccc([O-])c3F)c2C)[nH]1 ZINC001241295330 821714066 /nfs/dbraw/zinc/71/40/66/821714066.db2.gz OSAFJWMLRKNNJQ-UHFFFAOYSA-N -1 3 275.258 3.226 20 0 CGADHM Cc1ccc(-c2cc(F)cc(-c3nnn[n-]3)c2)c(F)c1 ZINC001241356521 821757681 /nfs/dbraw/zinc/75/76/81/821757681.db2.gz RUJKCTOKCJZXCM-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM Cc1ccc(-c2cc(F)cc(-c3nn[n-]n3)c2)c(F)c1 ZINC001241356521 821757685 /nfs/dbraw/zinc/75/76/85/821757685.db2.gz RUJKCTOKCJZXCM-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM COc1ncc(-c2ccc3c(c2)[N-]C(=S)C3)s1 ZINC001241418036 821814410 /nfs/dbraw/zinc/81/44/10/821814410.db2.gz RYWOQTVYSDQSBW-UHFFFAOYSA-N -1 3 262.359 3.114 20 0 CGADHM CC1(C)COc2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc21 ZINC001241446183 821840101 /nfs/dbraw/zinc/84/01/01/821840101.db2.gz ORVPHNWBZKDUHG-UHFFFAOYSA-N -1 3 292.342 3.204 20 0 CGADHM CC1(C)COc2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc21 ZINC001241446183 821840107 /nfs/dbraw/zinc/84/01/07/821840107.db2.gz ORVPHNWBZKDUHG-UHFFFAOYSA-N -1 3 292.342 3.204 20 0 CGADHM CCc1cccc(-c2ccc(-c3nnn[n-]3)cc2C)c1 ZINC001241550423 821940949 /nfs/dbraw/zinc/94/09/49/821940949.db2.gz YUNZFGMYCSEWFS-UHFFFAOYSA-N -1 3 264.332 3.405 20 0 CGADHM CCc1cccc(-c2ccc(-c3nn[n-]n3)cc2C)c1 ZINC001241550423 821940953 /nfs/dbraw/zinc/94/09/53/821940953.db2.gz YUNZFGMYCSEWFS-UHFFFAOYSA-N -1 3 264.332 3.405 20 0 CGADHM Cc1cc(C)c(-c2ccc(Cc3nnn[n-]3)cc2)cc1C ZINC001241635639 822014796 /nfs/dbraw/zinc/01/47/96/822014796.db2.gz TWGMFWYZCJVXOB-UHFFFAOYSA-N -1 3 278.359 3.383 20 0 CGADHM Cc1cc(C)c(-c2ccc(Cc3nn[n-]n3)cc2)cc1C ZINC001241635639 822014804 /nfs/dbraw/zinc/01/48/04/822014804.db2.gz TWGMFWYZCJVXOB-UHFFFAOYSA-N -1 3 278.359 3.383 20 0 CGADHM CCCOc1ccc(-c2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC001241747960 822121174 /nfs/dbraw/zinc/12/11/74/822121174.db2.gz NKKWYRGRQAQHQX-UHFFFAOYSA-N -1 3 298.321 3.462 20 0 CGADHM CCCOc1ccc(-c2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC001241747960 822121177 /nfs/dbraw/zinc/12/11/77/822121177.db2.gz NKKWYRGRQAQHQX-UHFFFAOYSA-N -1 3 298.321 3.462 20 0 CGADHM CO[C@H](C)c1cccc(-c2ccc(-c3nnn[n-]3)cc2)c1 ZINC001242033474 822297226 /nfs/dbraw/zinc/29/72/26/822297226.db2.gz ZUPKRLOXRDXSMN-LLVKDONJSA-N -1 3 280.331 3.241 20 0 CGADHM CO[C@H](C)c1cccc(-c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001242033474 822297233 /nfs/dbraw/zinc/29/72/33/822297233.db2.gz ZUPKRLOXRDXSMN-LLVKDONJSA-N -1 3 280.331 3.241 20 0 CGADHM Clc1cccc(-c2ccccc2-c2nnn[n-]2)c1 ZINC001242144822 822892811 /nfs/dbraw/zinc/89/28/11/822892811.db2.gz MRUNLLJBXJKBRC-UHFFFAOYSA-N -1 3 256.696 3.187 20 0 CGADHM Clc1cccc(-c2ccccc2-c2nn[n-]n2)c1 ZINC001242144822 822892814 /nfs/dbraw/zinc/89/28/14/822892814.db2.gz MRUNLLJBXJKBRC-UHFFFAOYSA-N -1 3 256.696 3.187 20 0 CGADHM Nc1ncccc1-c1ccc([O-])c(C(F)(F)F)c1 ZINC001242156949 822898455 /nfs/dbraw/zinc/89/84/55/822898455.db2.gz CBHVZYMGZPZOKN-UHFFFAOYSA-N -1 3 254.211 3.055 20 0 CGADHM CCn1cc(-c2ccc([O-])c(C(F)(F)F)c2)ccc1=O ZINC001242162797 822900453 /nfs/dbraw/zinc/90/04/53/822900453.db2.gz SNVPLAIIIQEYRX-UHFFFAOYSA-N -1 3 283.249 3.260 20 0 CGADHM O=C1CCCN1c1ccc(-c2ccc(F)cc2[O-])cc1 ZINC001242218143 822914711 /nfs/dbraw/zinc/91/47/11/822914711.db2.gz UYYCEJNRHYTTHO-UHFFFAOYSA-N -1 3 271.291 3.325 20 0 CGADHM CC1(C)C(=O)Nc2cccc(-c3ccc(F)cc3[O-])c21 ZINC001242219023 822915539 /nfs/dbraw/zinc/91/55/39/822915539.db2.gz HGWDVJFSHSIDJR-UHFFFAOYSA-N -1 3 271.291 3.428 20 0 CGADHM Cc1ccc(-c2ccc3cccnc3c2)cc1-c1nnn[n-]1 ZINC001242252608 822927984 /nfs/dbraw/zinc/92/79/84/822927984.db2.gz FYMMUMVXRHMCCB-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM Cc1ccc(-c2ccc3cccnc3c2)cc1-c1nn[n-]n1 ZINC001242252608 822927985 /nfs/dbraw/zinc/92/79/85/822927985.db2.gz FYMMUMVXRHMCCB-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM COC(=O)c1nc2nc(C3=CCC(C)(C)CC3)ccc2[n-]1 ZINC001242329877 822952860 /nfs/dbraw/zinc/95/28/60/822952860.db2.gz ZSYUOSJYYWFHRN-UHFFFAOYSA-N -1 3 285.347 3.338 20 0 CGADHM COC(=O)c1nc2ccc(C3=CCC(C)(C)CC3)nc2[n-]1 ZINC001242329877 822952862 /nfs/dbraw/zinc/95/28/62/822952862.db2.gz ZSYUOSJYYWFHRN-UHFFFAOYSA-N -1 3 285.347 3.338 20 0 CGADHM COC(=O)c1nc2ccc(C3=CCC(C)(C)CC3)[n-]c-2n1 ZINC001242329877 822952863 /nfs/dbraw/zinc/95/28/63/822952863.db2.gz ZSYUOSJYYWFHRN-UHFFFAOYSA-N -1 3 285.347 3.338 20 0 CGADHM O=C([O-])c1ccc(-c2ccc(C3=NCCC3)cc2)cn1 ZINC001242335908 822954306 /nfs/dbraw/zinc/95/43/06/822954306.db2.gz RIWDTGPCGXSITI-UHFFFAOYSA-N -1 3 266.300 3.030 20 0 CGADHM NC(=O)c1cc2cc(-c3cccc(F)c3[O-])ccc2o1 ZINC001242351896 822962256 /nfs/dbraw/zinc/96/22/56/822962256.db2.gz AFMBYENCNCRIAT-UHFFFAOYSA-N -1 3 271.247 3.043 20 0 CGADHM CN1Cc2c(cccc2-c2cccc(F)c2[O-])NC1=O ZINC001242352886 822962592 /nfs/dbraw/zinc/96/25/92/822962592.db2.gz UQAAKBLODARDIO-UHFFFAOYSA-N -1 3 272.279 3.176 20 0 CGADHM O=c1ccc(-c2cccc(F)c2[O-])cn1C1CCC1 ZINC001242353288 822962732 /nfs/dbraw/zinc/96/27/32/822962732.db2.gz LNGOQNXMBXEUHV-UHFFFAOYSA-N -1 3 259.280 3.085 20 0 CGADHM O=c1cc(-c2cccc(F)c2[O-])ccn1-c1ccc(F)cc1 ZINC001242354356 822963224 /nfs/dbraw/zinc/96/32/24/822963224.db2.gz ZHCKCEYSUWVGJM-UHFFFAOYSA-N -1 3 299.276 3.488 20 0 CGADHM CSc1cc(C(=O)[N-]c2nnc(C(F)F)s2)co1 ZINC001351326966 937014776 /nfs/dbraw/zinc/01/47/76/937014776.db2.gz LXFBPLFBSLVTMC-UHFFFAOYSA-N -1 3 291.304 3.043 20 0 CGADHM Cc1ccc(-c2nnc(-c3nc(C)ccc3[O-])o2)cc1 ZINC001252673895 928412402 /nfs/dbraw/zinc/41/24/02/928412402.db2.gz BLJXYSFIECNUHM-UHFFFAOYSA-N -1 3 267.288 3.121 20 0 CGADHM CSc1c(F)cccc1[N-]C(=O)c1ccc(Cl)nn1 ZINC001437592047 937296265 /nfs/dbraw/zinc/29/62/65/937296265.db2.gz UBDOMTLGCQQPKJ-UHFFFAOYSA-N -1 3 297.742 3.243 20 0 CGADHM O=C([N-]c1cccc2nsnc21)c1nc(Cl)cs1 ZINC001438185849 937303559 /nfs/dbraw/zinc/30/35/59/937303559.db2.gz NCCPQPKHSZQEDY-UHFFFAOYSA-N -1 3 296.764 3.054 20 0 CGADHM Cc1cccc([O-])c1C(=O)N[C@@H]1C[C@@H]1Cc1ccccc1 ZINC001444290176 937351411 /nfs/dbraw/zinc/35/14/11/937351411.db2.gz ZLZHKNOJCGKZAV-LSDHHAIUSA-N -1 3 281.355 3.062 20 0 CGADHM Nc1c(F)cccc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC001447285512 937367666 /nfs/dbraw/zinc/36/76/66/937367666.db2.gz DTYLEGKSDNJINM-UHFFFAOYSA-N -1 3 280.686 3.019 20 0 CGADHM O=C(NCCC1=CCCCCC1)c1ccccc1[O-] ZINC001447507384 937369707 /nfs/dbraw/zinc/36/97/07/937369707.db2.gz KXEOUXDUOOICBX-UHFFFAOYSA-N -1 3 259.349 3.403 20 0 CGADHM CSc1ccc([O-])c(C(=O)NC[C@H]2CC[C@@H](C)C2)c1 ZINC001448893531 937377101 /nfs/dbraw/zinc/37/71/01/937377101.db2.gz XIVBFZDSJNQTSG-MNOVXSKESA-N -1 3 279.405 3.280 20 0 CGADHM CC(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2c2ccccc2)c1[O-] ZINC001450608783 937385885 /nfs/dbraw/zinc/38/58/85/937385885.db2.gz NZANCFTXJYVYSW-LSDHHAIUSA-N -1 3 295.338 3.337 20 0 CGADHM O=C(Cc1cc(Cl)cc(Cl)c1)[N-]OC/C=C/Cl ZINC001450778324 937387997 /nfs/dbraw/zinc/38/79/97/937387997.db2.gz NIPWFBHRVZOCEH-OWOJBTEDSA-N -1 3 294.565 3.336 20 0 CGADHM C[C@@H]1CCC[C@@H](C2CN(C(=O)c3ccccc3[O-])C2)C1 ZINC001455011058 937413578 /nfs/dbraw/zinc/41/35/78/937413578.db2.gz VIOLTDRYIXKOTJ-CHWSQXEVSA-N -1 3 273.376 3.291 20 0 CGADHM O=C(N[C@H]1c2ccccc2CC[C@H]1F)c1ccccc1[O-] ZINC001455171134 937415068 /nfs/dbraw/zinc/41/50/68/937415068.db2.gz RWSMWDLUEXJHHT-ZBFHGGJFSA-N -1 3 285.318 3.148 20 0 CGADHM O=C(/C=C\c1ccc2[nH]ccc2c1)[N-]Oc1ccccc1F ZINC001455484550 937418460 /nfs/dbraw/zinc/41/84/60/937418460.db2.gz YSNZLAUTVGWRDM-VURMDHGXSA-N -1 3 296.301 3.430 20 0 CGADHM CO[C@H](C)CCOc1nc(=S)[n-]c2scc(C)c21 ZINC001229353962 932138613 /nfs/dbraw/zinc/13/86/13/932138613.db2.gz TXKZVZLVTAAJPN-MRVPVSSYSA-N -1 3 284.406 3.092 20 0 CGADHM Cc1ccc(C(=O)c2ccc([O-])c(OC3CC(=O)C3)c2)cc1 ZINC001229537901 932169091 /nfs/dbraw/zinc/16/90/91/932169091.db2.gz NYCBXFHFBKFTMX-UHFFFAOYSA-N -1 3 296.322 3.042 20 0 CGADHM Cc1nc(O[C@@H](C)c2ccc(F)c(F)c2)c(C)c(=O)[n-]1 ZINC001229686777 932469394 /nfs/dbraw/zinc/46/93/94/932469394.db2.gz UPNKXWMOYCVQQY-QMMMGPOBSA-N -1 3 280.274 3.217 20 0 CGADHM CCOc1ccc([C@@H](C)Oc2nc(C)[n-]c(=O)c2C)cc1 ZINC001229687219 932469750 /nfs/dbraw/zinc/46/97/50/932469750.db2.gz ZTRZIYIBFGKYKE-LLVKDONJSA-N -1 3 288.347 3.338 20 0 CGADHM CC[C@@H]1CCCC[C@H]1Oc1ccccc1-c1nnn[n-]1 ZINC001229954729 932509901 /nfs/dbraw/zinc/50/99/01/932509901.db2.gz NYKCBJYLDIXBKI-DGCLKSJQSA-N -1 3 272.352 3.214 20 0 CGADHM CC[C@@H]1CCCC[C@H]1Oc1ccccc1-c1nn[n-]n1 ZINC001229954729 932509904 /nfs/dbraw/zinc/50/99/04/932509904.db2.gz NYKCBJYLDIXBKI-DGCLKSJQSA-N -1 3 272.352 3.214 20 0 CGADHM O=c1nc2cccc(Cl)c2c(O[C@@H]2C=CCC2)[n-]1 ZINC001230887386 932636365 /nfs/dbraw/zinc/63/63/65/932636365.db2.gz ZLZLBQDNUSEAPZ-MRVPVSSYSA-N -1 3 262.696 3.086 20 0 CGADHM C[C@H](Oc1nc(=O)[n-]cc1-c1ccccc1)C1CC1 ZINC001230970940 932650502 /nfs/dbraw/zinc/65/05/02/932650502.db2.gz PDWADSAMZDGRFF-JTQLQIEISA-N -1 3 256.305 3.027 20 0 CGADHM Cc1ccc2c(c1)[C@H](Oc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC001231074516 932672380 /nfs/dbraw/zinc/67/23/80/932672380.db2.gz PSFJMFYDGMEFPX-MRXNPFEDSA-N -1 3 292.342 3.241 20 0 CGADHM COc1cccc([O-])c1C(=O)NC[C@H]1CCC=CCCC1 ZINC001304904875 932859172 /nfs/dbraw/zinc/85/91/72/932859172.db2.gz KFWWLHJPDCIRDV-ZDUSSCGKSA-N -1 3 289.375 3.267 20 0 CGADHM Cc1cccc(CSc2cc(Cl)nc(=O)[n-]2)c1 ZINC001307120467 932915219 /nfs/dbraw/zinc/91/52/19/932915219.db2.gz LJDRJOBZBZRQGU-UHFFFAOYSA-N -1 3 266.753 3.436 20 0 CGADHM O=C([N-]c1nocc1C1CC1)c1ccc(F)c(F)c1F ZINC001462553938 937649924 /nfs/dbraw/zinc/64/99/24/937649924.db2.gz JCUQXNUJSKZXPY-UHFFFAOYSA-N -1 3 282.221 3.222 20 0 CGADHM CCc1ccc(C(=O)NCCc2ccc(F)cc2)c([O-])c1 ZINC001463566238 937676855 /nfs/dbraw/zinc/67/68/55/937676855.db2.gz HFTGZKCWTVTVOB-UHFFFAOYSA-N -1 3 287.334 3.066 20 0 CGADHM CSc1ccc([O-])c(C(=O)NCC23CCC(CC2)C3)c1 ZINC001466558173 937710283 /nfs/dbraw/zinc/71/02/83/937710283.db2.gz GDQSYGDGXGGENS-UHFFFAOYSA-N -1 3 291.416 3.424 20 0 CGADHM CCCc1csc(NC(=O)c2c(C)cccc2[O-])n1 ZINC001466609155 937710687 /nfs/dbraw/zinc/71/06/87/937710687.db2.gz IWLANJAGPKLRAY-UHFFFAOYSA-N -1 3 276.361 3.362 20 0 CGADHM O=C(Nc1ccc(Cl)cc1[O-])c1ccc(Cl)[nH]1 ZINC001466631036 937711049 /nfs/dbraw/zinc/71/10/49/937711049.db2.gz FGPNWJGVBOFURM-UHFFFAOYSA-N -1 3 271.103 3.279 20 0 CGADHM CCC[C@@H](NC(=O)c1cc(F)cc2n[n-]nc21)C(C)(C)C ZINC001468164291 937724924 /nfs/dbraw/zinc/72/49/24/937724924.db2.gz WPSZSRDQCQSAGN-GFCCVEGCSA-N -1 3 292.358 3.042 20 0 CGADHM Cc1cccnc1COC(=O)c1cccc(Cl)c1[O-] ZINC001319830084 933940722 /nfs/dbraw/zinc/94/07/22/933940722.db2.gz VYGZELXBXQWGQI-UHFFFAOYSA-N -1 3 277.707 3.106 20 0 CGADHM O=C(CC[C@@H]1CCc2ccccc21)[N-]OCCC1CC1 ZINC001468412377 937727810 /nfs/dbraw/zinc/72/78/10/937727810.db2.gz BEBBRHUEQKRDLS-HNNXBMFYSA-N -1 3 273.376 3.345 20 0 CGADHM C[C@H](CCC(=O)[O-])CNCc1csc(C(C)(C)C)n1 ZINC001320867156 934113583 /nfs/dbraw/zinc/11/35/83/934113583.db2.gz SLDFVQXXDBUZEJ-SNVBAGLBSA-N -1 3 284.425 3.031 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2cccc3c2OCC3)c1 ZINC001470149865 937748340 /nfs/dbraw/zinc/74/83/40/937748340.db2.gz LRCFJYMKCIIKIK-UHFFFAOYSA-N -1 3 283.327 3.142 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])c1ncc(Cl)s1 ZINC001324953724 934876050 /nfs/dbraw/zinc/87/60/50/934876050.db2.gz LUAVNSYVYNLGME-UHFFFAOYSA-N -1 3 289.143 3.408 20 0 CGADHM CS[C@@H]1CC[C@@H](N(C)Cc2c(F)ccc([O-])c2F)C1 ZINC001325010088 934882196 /nfs/dbraw/zinc/88/21/96/934882196.db2.gz FXQBNBSQAZXNEO-NXEZZACHSA-N -1 3 287.375 3.386 20 0 CGADHM C[C@@H]1CN([C@@H](C(=O)[O-])c2ccccc2Cl)C[C@@H](C)S1 ZINC001328739226 935164465 /nfs/dbraw/zinc/16/44/65/935164465.db2.gz DEZIOIGMXIYFRW-GIPNMCIBSA-N -1 3 299.823 3.292 20 0 CGADHM C[C@H](Nc1cc(=O)[n-]cn1)c1nc(C(C)(C)C)cs1 ZINC001334157678 936087805 /nfs/dbraw/zinc/08/78/05/936087805.db2.gz VRCADPQZNHXTAX-QMMMGPOBSA-N -1 3 278.381 3.109 20 0 CGADHM Cc1csc(C(C)(C)NCc2ccc([O-])c(F)c2)n1 ZINC001334181581 936088649 /nfs/dbraw/zinc/08/86/49/936088649.db2.gz BTKVEFJMKJTJCS-UHFFFAOYSA-N -1 3 280.368 3.321 20 0 CGADHM O=C([N-]c1ncsc1C1CC1)c1nccc(Cl)c1F ZINC001334298467 936095763 /nfs/dbraw/zinc/09/57/63/936095763.db2.gz QXOJMLHTMJBTNB-UHFFFAOYSA-N -1 3 297.742 3.460 20 0 CGADHM CC(C)Cc1ncc(C(=O)[N-]c2c(F)ccnc2F)s1 ZINC001334776540 936113919 /nfs/dbraw/zinc/11/39/19/936113919.db2.gz KXCHYFNEDGGCFS-UHFFFAOYSA-N -1 3 297.330 3.267 20 0 CGADHM Cc1ncsc1CN[C@@H](C)c1cccc([O-])c1F ZINC001335839850 936163345 /nfs/dbraw/zinc/16/33/45/936163345.db2.gz ZETPXUBNCVGYNI-QMMMGPOBSA-N -1 3 266.341 3.147 20 0 CGADHM CCc1ccc([O-])c(C(=O)N(C)[C@@H]2CC[C@@H](SC)C2)c1 ZINC001337058285 936234867 /nfs/dbraw/zinc/23/48/67/936234867.db2.gz XAHMDWXYLBSSSA-CHWSQXEVSA-N -1 3 293.432 3.311 20 0 CGADHM [O-]c1ccc(CNCc2ccc(F)c(F)c2F)cc1F ZINC001474019248 937835874 /nfs/dbraw/zinc/83/58/74/937835874.db2.gz TWCRAPRCGXDCIX-UHFFFAOYSA-N -1 3 285.240 3.238 20 0 CGADHM [O-]c1ccc(CNC[C@@H]2CCC3(CCC3)CO2)c(F)c1F ZINC001474708540 937876161 /nfs/dbraw/zinc/87/61/61/937876161.db2.gz LINBAUPIPFQNRS-LBPRGKRZSA-N -1 3 297.345 3.109 20 0 CGADHM C[C@H]1CC[C@@](C)(C[N-]S(=O)(=O)c2ccco2)C1(C)C ZINC001475475157 937883594 /nfs/dbraw/zinc/88/35/94/937883594.db2.gz HIWSXJFGLADZLA-FZMZJTMJSA-N -1 3 285.409 3.020 20 0 CGADHM CSc1ccccc1[N-]C(=O)c1ncc(Cl)cn1 ZINC001530244459 938076793 /nfs/dbraw/zinc/07/67/93/938076793.db2.gz QWECDLQGVDTAJY-UHFFFAOYSA-N -1 3 279.752 3.104 20 0 CGADHM CCc1nc(C)c(C(=O)[N-]c2c(F)cc(F)cc2F)o1 ZINC001531647626 938082621 /nfs/dbraw/zinc/08/26/21/938082621.db2.gz GQVVBJJRZCUWOP-UHFFFAOYSA-N -1 3 284.237 3.215 20 0 CGADHM C[C@H]1CC[C@@H](OC(=O)c2cccc(Cl)c2[O-])C1 ZINC001537624806 938111845 /nfs/dbraw/zinc/11/18/45/938111845.db2.gz OEHLQMMHZJBYBT-DTWKUNHWSA-N -1 3 254.713 3.391 20 0 CGADHM O=C(Nc1n[n-]c(-c2ccco2)n1)[C@@H]1CCC=CCCC1 ZINC001538229745 938116466 /nfs/dbraw/zinc/11/64/66/938116466.db2.gz GXBVLQMTMFKNPR-LLVKDONJSA-N -1 3 286.335 3.140 20 0 CGADHM CCCCOCCCNC(=O)c1cc(SC)ccc1[O-] ZINC001540285209 938129632 /nfs/dbraw/zinc/12/96/32/938129632.db2.gz XPWFINHMIUDYPI-UHFFFAOYSA-N -1 3 297.420 3.051 20 0 CGADHM O=C(Cc1cccc2cnccc21)[N-]OCc1ccccc1 ZINC001540600878 938132327 /nfs/dbraw/zinc/13/23/27/938132327.db2.gz DUVKJQSMGTVAOT-UHFFFAOYSA-N -1 3 292.338 3.025 20 0 CGADHM Cc1cccc([O-])c1C(=O)Nc1ccc2c(c1)OC(C)(C)O2 ZINC001543949652 938142658 /nfs/dbraw/zinc/14/26/58/938142658.db2.gz LIKYPAJQOZAXFG-UHFFFAOYSA-N -1 3 299.326 3.460 20 0 CGADHM CC1(C)[C@@H](NCc2cc(C(=O)[O-])co2)[C@H]1c1ccccc1 ZINC001550345328 938165983 /nfs/dbraw/zinc/16/59/83/938165983.db2.gz HQJMVRPHDGNQSH-CABCVRRESA-N -1 3 285.343 3.260 20 0 CGADHM Cc1ccc(C(=O)N2C[C@@H](C3CC3)C[C@@H]2C2CC2)c([O-])c1 ZINC001551064662 938175860 /nfs/dbraw/zinc/17/58/60/938175860.db2.gz XUSLXOCEYNAIDE-GOEBONIOSA-N -1 3 285.387 3.351 20 0 CGADHM Cc1cnc2ccccc2c1N1C[C@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001551355921 938180343 /nfs/dbraw/zinc/18/03/43/938180343.db2.gz RGPQJJNKXWGRCJ-GJZGRUSLSA-N -1 3 296.370 3.090 20 0 CGADHM O=C(Cc1cccc([O-])c1F)N1CC[C@@H]1C1CCCCC1 ZINC001551755343 938185638 /nfs/dbraw/zinc/18/56/38/938185638.db2.gz DBQLYUKMIUACDG-CQSZACIVSA-N -1 3 291.366 3.255 20 0 CGADHM O=C(c1ccccc1[O-])N1Cc2ccc(Cl)cc2C1 ZINC001556969454 938206963 /nfs/dbraw/zinc/20/69/63/938206963.db2.gz RNNJYYXAZUNBHZ-UHFFFAOYSA-N -1 3 273.719 3.202 20 0 CGADHM O=C(NC1CCC(C2CCC2)CC1)c1ccc(O)cc1[O-] ZINC001557567475 938210862 /nfs/dbraw/zinc/21/08/62/938210862.db2.gz HTSFDGKLKQHKME-UHFFFAOYSA-N -1 3 289.375 3.187 20 0 CGADHM O=C([O-])c1ccc(CN2CC(Cc3cccs3)C2)cc1 ZINC001602336108 971185538 /nfs/dbraw/zinc/18/55/38/971185538.db2.gz JWONAAIGQBSKHX-UHFFFAOYSA-N -1 3 287.384 3.121 20 0 CGADHM CCOC[C@@H](NCc1cccc(C(=O)[O-])c1Cl)C(C)C ZINC000381746386 971774671 /nfs/dbraw/zinc/77/46/71/971774671.db2.gz VGELCWVAWYKWHU-CYBMUJFWSA-N -1 3 299.798 3.189 20 0 CGADHM O=C([O-])C1(CCN2CCc3cc(Cl)ccc3C2)CCC1 ZINC001594879848 954415104 /nfs/dbraw/zinc/41/51/04/954415104.db2.gz YNTFQPNBRPUHNR-UHFFFAOYSA-N -1 3 293.794 3.343 20 0 CGADHM C[C@H](N[C@@H](C(=O)[O-])c1ccccc1)c1ccc(F)c(F)c1 ZINC000050508366 957492546 /nfs/dbraw/zinc/49/25/46/957492546.db2.gz GDZMYQOYHZNQCJ-ZUZCIYMTSA-N -1 3 291.297 3.441 20 0 CGADHM C[C@H](NCc1cccc(C(=O)[O-])c1)c1cc2cnccc2o1 ZINC001603250758 972422151 /nfs/dbraw/zinc/42/21/51/972422151.db2.gz LGUGFLHPCDCCCB-NSHDSACASA-N -1 3 296.326 3.377 20 0 CGADHM Cc1cc(CNCc2ccc(C(=O)[O-])s2)ccc1F ZINC001594303686 960515878 /nfs/dbraw/zinc/51/58/78/960515878.db2.gz AACXLXASABGDCN-UHFFFAOYSA-N -1 3 279.336 3.184 20 0 CGADHM CC[C@H](C)[C@@H](C(=O)[O-])N1Cc2ccc(Cl)cc2C1 ZINC001594874295 960521234 /nfs/dbraw/zinc/52/12/34/960521234.db2.gz VGVINGVILRLSMS-ZANVPECISA-N -1 3 267.756 3.155 20 0 CGADHM C1=CCC(CSCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001602750299 960549939 /nfs/dbraw/zinc/54/99/39/960549939.db2.gz VBGKVIKGOSMCQA-UHFFFAOYSA-N -1 3 272.377 3.066 20 0 CGADHM C1=CCC(CSCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001602750299 960549954 /nfs/dbraw/zinc/54/99/54/960549954.db2.gz VBGKVIKGOSMCQA-UHFFFAOYSA-N -1 3 272.377 3.066 20 0 CGADHM Cc1cccc([O-])c1C(=O)Nc1cc(C2CCCC2)[nH]n1 ZINC001565950975 960856320 /nfs/dbraw/zinc/85/63/20/960856320.db2.gz PPTZOOBTDSLAJK-UHFFFAOYSA-N -1 3 285.347 3.334 20 0 CGADHM O=Cc1c[nH]c2ccc(C(=O)Nc3cccc([O-])c3F)cc12 ZINC001566435637 960940746 /nfs/dbraw/zinc/94/07/46/960940746.db2.gz QLJGVBDIVWGAFG-UHFFFAOYSA-N -1 3 298.273 3.077 20 0 CGADHM CCC(CC)CC(=O)Nc1cc(C(=O)OC(C)(C)C)n[n-]1 ZINC001570609721 962018198 /nfs/dbraw/zinc/01/81/98/962018198.db2.gz OPKJACPFUIRRPI-UHFFFAOYSA-N -1 3 295.383 3.130 20 0 CGADHM CCC(CC)CC(=O)Nc1cc(C(=O)OC(C)(C)C)[n-]n1 ZINC001570609721 962018221 /nfs/dbraw/zinc/01/82/21/962018221.db2.gz OPKJACPFUIRRPI-UHFFFAOYSA-N -1 3 295.383 3.130 20 0 CGADHM Cc1cc(F)ccc1[C@@H](C)NCc1c[nH]c(C(=O)[O-])c1 ZINC001574697725 962314980 /nfs/dbraw/zinc/31/49/80/962314980.db2.gz JIMPOUIENLPNNM-SNVBAGLBSA-N -1 3 276.311 3.011 20 0 CGADHM CC[C@H](CCC(F)(F)F)Nc1cccc(-c2nnn[n-]2)c1 ZINC001576766543 962495238 /nfs/dbraw/zinc/49/52/38/962495238.db2.gz GIRFUJFFCNRKDP-SNVBAGLBSA-N -1 3 299.300 3.400 20 0 CGADHM CC[C@H](CCC(F)(F)F)Nc1cccc(-c2nn[n-]n2)c1 ZINC001576766543 962495251 /nfs/dbraw/zinc/49/52/51/962495251.db2.gz GIRFUJFFCNRKDP-SNVBAGLBSA-N -1 3 299.300 3.400 20 0 CGADHM Nc1ccc(C(=O)Nc2ccc(C3CC3)cc2)c([O-])c1 ZINC001580442807 962728125 /nfs/dbraw/zinc/72/81/25/962728125.db2.gz JISDGRYIAAFFEV-UHFFFAOYSA-N -1 3 268.316 3.104 20 0 CGADHM Cc1cccc(-c2nnn[n-]2)c1SC/C=C/Cl ZINC001581218790 962752447 /nfs/dbraw/zinc/75/24/47/962752447.db2.gz DEFVFEHFUMKGDK-ZZXKWVIFSA-N -1 3 266.757 3.020 20 0 CGADHM Cc1cccc(-c2nn[n-]n2)c1SC/C=C/Cl ZINC001581218790 962752456 /nfs/dbraw/zinc/75/24/56/962752456.db2.gz DEFVFEHFUMKGDK-ZZXKWVIFSA-N -1 3 266.757 3.020 20 0 CGADHM Cc1cccc([O-])c1C(=O)Nc1ccc(-c2cc[nH]n2)cc1 ZINC001583162357 962773988 /nfs/dbraw/zinc/77/39/88/962773988.db2.gz JCJAPTYPOFGZSF-UHFFFAOYSA-N -1 3 293.326 3.343 20 0 CGADHM COc1ccc(C(=O)N[C@H]2CCC[C@H](C(C)C)C2)c([O-])c1 ZINC001585519786 963019343 /nfs/dbraw/zinc/01/93/43/963019343.db2.gz VVQJKPABWVXDTA-STQMWFEESA-N -1 3 291.391 3.345 20 0 CGADHM C=C/C=C/CCSc1ccc(-c2nnn[n-]2)cc1 ZINC001588530678 963275144 /nfs/dbraw/zinc/27/51/44/963275144.db2.gz SAXIOMVAKGHTPE-ONEGZZNKSA-N -1 3 258.350 3.091 20 0 CGADHM C=C/C=C/CCSc1ccc(-c2nn[n-]n2)cc1 ZINC001588530678 963275155 /nfs/dbraw/zinc/27/51/55/963275155.db2.gz SAXIOMVAKGHTPE-ONEGZZNKSA-N -1 3 258.350 3.091 20 0 CGADHM C[C@H](NCCCCC(=O)[O-])c1nc(C(F)(F)F)cs1 ZINC001589128334 963349054 /nfs/dbraw/zinc/34/90/54/963349054.db2.gz QGLREAFDXLTVOV-ZETCQYMHSA-N -1 3 296.314 3.067 20 0 CGADHM CC(C)(C)CSCc1cccc(-c2nnn[n-]2)c1F ZINC001589130553 963351992 /nfs/dbraw/zinc/35/19/92/963351992.db2.gz HCJLYCGEZKMRGF-UHFFFAOYSA-N -1 3 280.372 3.285 20 0 CGADHM CC(C)(C)CSCc1cccc(-c2nn[n-]n2)c1F ZINC001589130553 963352004 /nfs/dbraw/zinc/35/20/04/963352004.db2.gz HCJLYCGEZKMRGF-UHFFFAOYSA-N -1 3 280.372 3.285 20 0 CGADHM CC(C)C[C@H](C)CN1CCCc2c(-c3nnn[n-]3)cccc21 ZINC001589550291 964001203 /nfs/dbraw/zinc/00/12/03/964001203.db2.gz VFYGOJURWMZPSG-ZDUSSCGKSA-N -1 3 299.422 3.302 20 0 CGADHM CC(C)C[C@H](C)CN1CCCc2c(-c3nn[n-]n3)cccc21 ZINC001589550291 964001216 /nfs/dbraw/zinc/00/12/16/964001216.db2.gz VFYGOJURWMZPSG-ZDUSSCGKSA-N -1 3 299.422 3.302 20 0 CGADHM CC[C@@H](CN[C@@H](C)c1ncc(C(=O)[O-])s1)CC(F)F ZINC001595165394 979708140 /nfs/dbraw/zinc/70/81/40/979708140.db2.gz CBFDKFLXEPMRJH-JGVFFNPUSA-N -1 3 292.351 3.173 20 0 CGADHM CCCCO[C@H]1C[C@H](NCc2occc2C(=O)[O-])C1(C)C ZINC001595771341 982519862 /nfs/dbraw/zinc/51/98/62/982519862.db2.gz YCLAWAYRBOCDNI-KBPBESRZSA-N -1 3 295.379 3.051 20 0 CGADHM CCc1oc(C(=O)[O-])cc1CN1CCC[C@]2(CC2(F)F)C1 ZINC001597763201 989203413 /nfs/dbraw/zinc/20/34/13/989203413.db2.gz RUWHCMYMZWFGCV-AWEZNQCLSA-N -1 3 299.317 3.161 20 0 CGADHM CC(C)(/C=C/Cl)NCc1cc(C(=O)[O-])cs1 ZINC001590615585 990292044 /nfs/dbraw/zinc/29/20/44/990292044.db2.gz YSHWKWPYIKQBCJ-ONEGZZNKSA-N -1 3 259.758 3.067 20 0 CGADHM CC(C)(CCNC(C)(C)c1cc(C(=O)[O-])on1)C1CC1 ZINC001590870102 990769228 /nfs/dbraw/zinc/76/92/28/990769228.db2.gz FFZFZVQUIWWSQU-UHFFFAOYSA-N -1 3 280.368 3.024 20 0 CGADHM CC(C)[C@H]1CCCCCN1Cc1ncc(C(=O)[O-])s1 ZINC001591088271 991620494 /nfs/dbraw/zinc/62/04/94/991620494.db2.gz GFDRHQMUSGEVER-LLVKDONJSA-N -1 3 282.409 3.242 20 0 CGADHM CCCCc1ccc(C(=O)Nc2nnc(SC)[n-]2)cc1 ZINC000589694052 346808429 /nfs/dbraw/zinc/80/84/29/346808429.db2.gz JWXRTVPGQAXBAF-UHFFFAOYSA-N -1 3 290.392 3.122 20 0 CGADHM CCCCc1ccc(C(=O)Nc2nc(SC)n[n-]2)cc1 ZINC000589694052 346808432 /nfs/dbraw/zinc/80/84/32/346808432.db2.gz JWXRTVPGQAXBAF-UHFFFAOYSA-N -1 3 290.392 3.122 20 0 CGADHM CCCCc1ccc(C(=O)Nc2n[n-]c(SC)n2)cc1 ZINC000589694052 346808437 /nfs/dbraw/zinc/80/84/37/346808437.db2.gz JWXRTVPGQAXBAF-UHFFFAOYSA-N -1 3 290.392 3.122 20 0 CGADHM Cc1ccccc1[C@@H](C)N(C)C(=O)c1cc(F)c[n-]c1=O ZINC000621509331 349537391 /nfs/dbraw/zinc/53/73/91/349537391.db2.gz XIJALEZALILNHP-LLVKDONJSA-N -1 3 288.322 3.068 20 0 CGADHM Cc1ccc([C@@H](C)N(C)C(=O)c2cc(F)c[n-]c2=O)cc1 ZINC000621506356 349537415 /nfs/dbraw/zinc/53/74/15/349537415.db2.gz WXTIEGDEUVTZEL-LLVKDONJSA-N -1 3 288.322 3.068 20 0 CGADHM CCCC[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccccc1F ZINC000590072627 346825130 /nfs/dbraw/zinc/82/51/30/346825130.db2.gz VOOSSUIDKDTWGW-JSGCOSHPSA-N -1 3 299.411 3.463 20 0 CGADHM COCCSCc1ccc([O-])c2nc(C)ccc12 ZINC000337768770 214254388 /nfs/dbraw/zinc/25/43/88/214254388.db2.gz UOLXOWBNGOYUFN-UHFFFAOYSA-N -1 3 263.362 3.128 20 0 CGADHM C[C@H]1CCC[C@@H]1NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621857160 349597767 /nfs/dbraw/zinc/59/77/67/349597767.db2.gz RSLYXJPVJGUQFL-UFBFGSQYSA-N -1 3 287.281 3.329 20 0 CGADHM CC[C@@H](C)[C@@H]([N-]C(=O)CC(F)(F)F)C(F)(F)F ZINC000436181019 529399197 /nfs/dbraw/zinc/39/91/97/529399197.db2.gz NFNPACGOLBJRMI-IYSWYEEDSA-N -1 3 265.197 3.032 20 0 CGADHM Cc1ccccc1-c1cc(=NC(=O)C(C)(C)C(F)F)[nH][n-]1 ZINC000350804789 219062072 /nfs/dbraw/zinc/06/20/72/219062072.db2.gz DELHDAURLHCEAW-UHFFFAOYSA-N -1 3 293.317 3.037 20 0 CGADHM CC[C@@H](C)[C@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC000436535456 529426087 /nfs/dbraw/zinc/42/60/87/529426087.db2.gz KWVLKTRDABOBDW-TZMCWYRMSA-N -1 3 261.365 3.433 20 0 CGADHM CC[C@H](Cc1ccccc1)NC(=O)c1ccc([O-])c(C)c1 ZINC000436939692 529430224 /nfs/dbraw/zinc/43/02/24/529430224.db2.gz PVQQWHVXGLPQJC-MRXNPFEDSA-N -1 3 283.371 3.452 20 0 CGADHM CCc1nc(CSCc2nc(CC)cc(=O)[n-]2)cs1 ZINC000125795907 187200025 /nfs/dbraw/zinc/20/00/25/187200025.db2.gz ZUCGZRNWZSULTM-UHFFFAOYSA-N -1 3 295.433 3.197 20 0 CGADHM Cc1ccc(NC(=O)CCCc2ccccn2)c([O-])c1 ZINC000591094354 346900388 /nfs/dbraw/zinc/90/03/88/346900388.db2.gz MPQSGXGXKXWQAD-UHFFFAOYSA-N -1 3 270.332 3.057 20 0 CGADHM CCc1ccc(-c2nc(-c3ncccc3C)no2)c([O-])c1 ZINC000436843891 529575626 /nfs/dbraw/zinc/57/56/26/529575626.db2.gz KTZKLEMFFHHAOZ-UHFFFAOYSA-N -1 3 281.315 3.375 20 0 CGADHM CCc1cc(=O)[n-]c(-c2ccc(NCC3(C)CC3)nc2)n1 ZINC000359030903 529564878 /nfs/dbraw/zinc/56/48/78/529564878.db2.gz OTDOKTCXFJTVQS-UHFFFAOYSA-N -1 3 284.363 3.019 20 0 CGADHM CCc1ccc(C(=O)Nc2ccc3n[nH]cc3c2)c([O-])c1 ZINC000436796846 529609712 /nfs/dbraw/zinc/60/97/12/529609712.db2.gz LGURMUYTYMITPY-UHFFFAOYSA-N -1 3 281.315 3.083 20 0 CGADHM CCc1ccc(C(=O)N2CC[C@H](C)C[C@@H](C)C2)c([O-])c1 ZINC000436830951 529599696 /nfs/dbraw/zinc/59/96/96/529599696.db2.gz OSZACKAPLDBYRZ-QWHCGFSZSA-N -1 3 275.392 3.463 20 0 CGADHM CCc1ccc(C(=O)N2Cc3ccccc3CO2)c([O-])c1 ZINC000436743512 529601200 /nfs/dbraw/zinc/60/12/00/529601200.db2.gz YMRFYTZHPOCQBE-UHFFFAOYSA-N -1 3 283.327 3.042 20 0 CGADHM CCc1ccc([O-])c(-c2nc(-c3ncccc3C)no2)c1 ZINC000436893093 529690526 /nfs/dbraw/zinc/69/05/26/529690526.db2.gz MKYVAKPDCITRSA-UHFFFAOYSA-N -1 3 281.315 3.375 20 0 CGADHM C[C@H]1CC[C@@H](CCC(=O)N2CCCc3cccc([O-])c32)O1 ZINC000155576640 136395776 /nfs/dbraw/zinc/39/57/76/136395776.db2.gz WGRQFDBLYOJXOY-JSGCOSHPSA-N -1 3 289.375 3.019 20 0 CGADHM Cc1cccc([O-])c1C(=O)N(C)[C@@H]1CCCC[C@@H]1C ZINC000623818848 349889151 /nfs/dbraw/zinc/88/91/51/349889151.db2.gz FGRVXZWOLZCXGQ-WCQYABFASA-N -1 3 261.365 3.351 20 0 CGADHM Cc1ccc(OCCNC(=O)c2cc(C)ccc2[O-])c(C)c1 ZINC000021936519 344893669 /nfs/dbraw/zinc/89/36/69/344893669.db2.gz QDRNJEFAMWGMDN-UHFFFAOYSA-N -1 3 299.370 3.126 20 0 CGADHM CCCCc1nnc([N-]C(=O)c2cc(Cl)ccn2)s1 ZINC000023365150 344897954 /nfs/dbraw/zinc/89/79/54/344897954.db2.gz KMLAKZJZIGPVQX-UHFFFAOYSA-N -1 3 296.783 3.181 20 0 CGADHM CC(C)[C@@H](NC(=O)c1ccc2n[n-]nc2c1)c1ccccc1 ZINC000032613282 344932851 /nfs/dbraw/zinc/93/28/51/344932851.db2.gz LRODLWSHHBVJLV-MRXNPFEDSA-N -1 3 294.358 3.085 20 0 CGADHM Cc1ccc([O-])c(C(=O)NCCc2ccccc2Cl)c1 ZINC000049402669 345073758 /nfs/dbraw/zinc/07/37/58/345073758.db2.gz KXFJSSAKDGUEDS-UHFFFAOYSA-N -1 3 289.762 3.327 20 0 CGADHM Cc1ccc(C(=O)Nc2ccccc2CN(C)C)c([O-])c1C ZINC000052666599 345106813 /nfs/dbraw/zinc/10/68/13/345106813.db2.gz JSHILDSUMVEBNH-UHFFFAOYSA-N -1 3 298.386 3.323 20 0 CGADHM C[C@H]1CCC[C@H](CNC(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC000056266479 345161695 /nfs/dbraw/zinc/16/16/95/345161695.db2.gz OERNAFAPMZXZEZ-STQMWFEESA-N -1 3 298.386 3.084 20 0 CGADHM COc1ccc([C@H](NC(=O)c2ccccc2[O-])C2CC2)cc1 ZINC000053722033 345124406 /nfs/dbraw/zinc/12/44/06/345124406.db2.gz LZBMHUJWNRGVHF-QGZVFWFLSA-N -1 3 297.354 3.282 20 0 CGADHM CN(Cc1cccs1)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000061205304 345228326 /nfs/dbraw/zinc/22/83/26/345228326.db2.gz TVTIMKNMHRGAGL-UHFFFAOYSA-N -1 3 298.367 3.274 20 0 CGADHM CN(C(=O)c1cc(Cc2ccccc2)ccc1[O-])C1CC1 ZINC000060372668 345214968 /nfs/dbraw/zinc/21/49/68/345214968.db2.gz MKAMSDINBJVKOL-UHFFFAOYSA-N -1 3 281.355 3.217 20 0 CGADHM Cc1nc(C)c(C(=O)[N-]c2nc(C(C)(C)C)ns2)s1 ZINC000068074309 345342611 /nfs/dbraw/zinc/34/26/11/345342611.db2.gz NNFQMQUSQKWBLX-UHFFFAOYSA-N -1 3 296.421 3.161 20 0 CGADHM CC(C)[C@@H](C)N(C(=O)c1cc(=O)c2ccccc2[n-]1)C1CC1 ZINC000069465691 345381014 /nfs/dbraw/zinc/38/10/14/345381014.db2.gz HJMAHSJQTRILLG-GFCCVEGCSA-N -1 3 298.386 3.177 20 0 CGADHM Cc1oc(CN2CCCCC[C@H]2C)cc1C(=O)[O-] ZINC000070410243 345391010 /nfs/dbraw/zinc/39/10/10/345391010.db2.gz TXOWULPQBUCAAE-SNVBAGLBSA-N -1 3 251.326 3.051 20 0 CGADHM CC(C)[C@@H]1CCCN(Cc2cc(C(=O)[O-])co2)CC1 ZINC000079349425 345638191 /nfs/dbraw/zinc/63/81/91/345638191.db2.gz AMXMPAHHMCMYJS-GFCCVEGCSA-N -1 3 265.353 3.236 20 0 CGADHM C[C@H]([N-]c1nc(-c2cccc(Cl)c2)no1)[C@@H]1CCCO1 ZINC000091427446 345813403 /nfs/dbraw/zinc/81/34/03/345813403.db2.gz LOMJWTMJLPZSSR-CABZTGNLSA-N -1 3 293.754 3.369 20 0 CGADHM CCc1cccc(C(=O)N(Cc2ccncc2)C2CC2)c1[O-] ZINC000094037091 345894889 /nfs/dbraw/zinc/89/48/89/345894889.db2.gz FJWWSZUUXRHKSX-UHFFFAOYSA-N -1 3 296.370 3.154 20 0 CGADHM CCCC[C@@H](CC)CC(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000117242321 345982529 /nfs/dbraw/zinc/98/25/29/345982529.db2.gz XDLVMOHGRWLDJP-MRVPVSSYSA-N -1 3 292.305 3.369 20 0 CGADHM CCCC[C@@H](CC)CC(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000117242321 345982531 /nfs/dbraw/zinc/98/25/31/345982531.db2.gz XDLVMOHGRWLDJP-MRVPVSSYSA-N -1 3 292.305 3.369 20 0 CGADHM C[C@@H](C(=O)NCc1ccc([O-])c(F)c1)c1cccs1 ZINC000133087149 346075714 /nfs/dbraw/zinc/07/57/14/346075714.db2.gz ZZBJZQJMOQHWDB-SECBINFHSA-N -1 3 279.336 3.013 20 0 CGADHM O=C([O-])C1CN(Cc2ccc(-c3ccc(F)cc3)s2)C1 ZINC000143625342 346114916 /nfs/dbraw/zinc/11/49/16/346114916.db2.gz HNTXWJKFNYAPNT-UHFFFAOYSA-N -1 3 291.347 3.071 20 0 CGADHM Cc1cccc([O-])c1C(=O)N([C@@H](C)C1CC1)C1CC1 ZINC000624003648 349942324 /nfs/dbraw/zinc/94/23/24/349942324.db2.gz FBFWDUVRZXJDMA-NSHDSACASA-N -1 3 259.349 3.104 20 0 CGADHM Cc1ccccc1CSc1n[n-]c(-c2ccccn2)n1 ZINC000172161475 346215687 /nfs/dbraw/zinc/21/56/87/346215687.db2.gz LKFCEFIZIXHGDW-UHFFFAOYSA-N -1 3 282.372 3.467 20 0 CGADHM C[C@@H](NC(=O)NCc1ccc([O-])c(F)c1)c1cccs1 ZINC000172518634 346226764 /nfs/dbraw/zinc/22/67/64/346226764.db2.gz KROZANHDOXQIDL-SECBINFHSA-N -1 3 294.351 3.153 20 0 CGADHM O=C(Nc1ncccc1[O-])c1ccc(C2CCC2)cc1 ZINC000190173985 346264145 /nfs/dbraw/zinc/26/41/45/346264145.db2.gz GOLUSVYIEIYYTR-UHFFFAOYSA-N -1 3 268.316 3.307 20 0 CGADHM O=C([N-]c1ccsc1Cl)c1ncc(F)cc1F ZINC000190790158 346264692 /nfs/dbraw/zinc/26/46/92/346264692.db2.gz FNXWRMUZFIYWPL-UHFFFAOYSA-N -1 3 274.679 3.327 20 0 CGADHM O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1cc(Cl)ccc1F ZINC000229236878 346316009 /nfs/dbraw/zinc/31/60/09/346316009.db2.gz KHNJDXSQWVUBFC-IUPBHXKESA-N -1 3 297.757 3.164 20 0 CGADHM O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1cc(Cl)ccc1F ZINC000229236896 346316212 /nfs/dbraw/zinc/31/62/12/346316212.db2.gz KHNJDXSQWVUBFC-LQJRIPTKSA-N -1 3 297.757 3.164 20 0 CGADHM C[C@@H]1CCN(Cc2ccc(Cl)cc2)[C@@H](C(=O)[O-])C1 ZINC000229304814 346317268 /nfs/dbraw/zinc/31/72/68/346317268.db2.gz DTPHYZOEUQBSFQ-ZWNOBZJWSA-N -1 3 267.756 3.025 20 0 CGADHM C[C@@H]1CCN(Cc2ccc(Cl)cc2F)[C@@H](C(=O)[O-])C1 ZINC000231720046 346322884 /nfs/dbraw/zinc/32/28/84/346322884.db2.gz CQCDGVYPUNKKDZ-NOZJJQNGSA-N -1 3 285.746 3.164 20 0 CGADHM C[C@@H]1C[C@@H](C)CN(Cc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000235376584 346335156 /nfs/dbraw/zinc/33/51/56/346335156.db2.gz RQHKJFKLZWNSHL-GHMZBOCLSA-N -1 3 265.328 3.002 20 0 CGADHM C[C@H]([N-]S(=O)(=O)c1ccoc1)c1cc2ccccc2o1 ZINC000351712998 219183702 /nfs/dbraw/zinc/18/37/02/219183702.db2.gz HZVJPDYHKHTYNT-JTQLQIEISA-N -1 3 291.328 3.065 20 0 CGADHM CCC(CC)c1cc(C(=O)[N-]c2ncc(OC)s2)on1 ZINC000351731865 219190974 /nfs/dbraw/zinc/19/09/74/219190974.db2.gz XWSFVCXFKNDAKI-UHFFFAOYSA-N -1 3 295.364 3.296 20 0 CGADHM O=C(Nc1ccccc1[O-])c1cnnc(-c2ccccc2)c1 ZINC000351733783 219190151 /nfs/dbraw/zinc/19/01/51/219190151.db2.gz CBWMRQFGHGJZDR-UHFFFAOYSA-N -1 3 291.310 3.102 20 0 CGADHM C[C@H](CC(=O)N1CC[C@@H](C)c2cccc([O-])c21)n1ccnc1 ZINC000583208384 346679180 /nfs/dbraw/zinc/67/91/80/346679180.db2.gz ZNJYXTPYDMUDDY-CHWSQXEVSA-N -1 3 299.374 3.080 20 0 CGADHM C[C@@H]1CCN(C(=O)COC2CCCC2)c2c([O-])cccc21 ZINC000274418491 136629160 /nfs/dbraw/zinc/62/91/60/136629160.db2.gz XLMOQCRFFWDKJW-GFCCVEGCSA-N -1 3 289.375 3.192 20 0 CGADHM CCCCCC(=O)Nc1cc(Cl)cc(C(=O)OC)c1[O-] ZINC000588095285 346748821 /nfs/dbraw/zinc/74/88/21/346748821.db2.gz ODCKHIZFIPSCTK-UHFFFAOYSA-N -1 3 299.754 3.351 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2ccc(C(C)(F)F)cc2)n1 ZINC000351775179 219203259 /nfs/dbraw/zinc/20/32/59/219203259.db2.gz RIZYNUOAUABZAB-UHFFFAOYSA-N -1 3 292.285 3.460 20 0 CGADHM CCO[C@H]1C[C@H](NCc2cccc([O-])c2Cl)C12CCC2 ZINC000339283560 215064682 /nfs/dbraw/zinc/06/46/82/215064682.db2.gz WORCOGXPYRZPOC-KBPBESRZSA-N -1 3 295.810 3.483 20 0 CGADHM CCS[C@@H]1CC[C@H](N(C)C(=O)c2c(C)cccc2[O-])C1 ZINC000599611857 347758176 /nfs/dbraw/zinc/75/81/76/347758176.db2.gz RNQLTJSKRBEVTI-QWHCGFSZSA-N -1 3 293.432 3.447 20 0 CGADHM CC(C)CSCCCN1CCc2occc2[C@H]1C(=O)[O-] ZINC000600676075 347828053 /nfs/dbraw/zinc/82/80/53/347828053.db2.gz XOXNHWFEQJZHHQ-AWEZNQCLSA-N -1 3 297.420 3.043 20 0 CGADHM [O-]c1cccc(CN[C@H]2CCC[C@H]2OC(F)F)c1Cl ZINC000339389893 215141613 /nfs/dbraw/zinc/14/16/13/215141613.db2.gz FPFAMQONATYLRG-GXSJLCMTSA-N -1 3 291.725 3.296 20 0 CGADHM CCCn1c(=O)[n-]nc1S[C@@H]1CCC[C@H](C)C1 ZINC000605076080 348146475 /nfs/dbraw/zinc/14/64/75/348146475.db2.gz IHKAIVSZOLKLRZ-VHSXEESVSA-N -1 3 255.387 3.065 20 0 CGADHM C[C@@H]1CCCC[C@H]1CC(=O)NCc1ccc([O-])c(F)c1 ZINC000606537421 348190163 /nfs/dbraw/zinc/19/01/63/348190163.db2.gz REBQZGKANXYPRI-YPMHNXCESA-N -1 3 279.355 3.364 20 0 CGADHM O=C([N-]c1cnoc1)c1cc(Oc2ccccc2)ccn1 ZINC000608585423 348319761 /nfs/dbraw/zinc/31/97/61/348319761.db2.gz NJDFGKOWHMSNIG-UHFFFAOYSA-N -1 3 281.271 3.114 20 0 CGADHM C[C@H]1CN(Cc2cc([O-])cc(C(F)(F)F)c2)[C@@H](C)CO1 ZINC000356092674 290862252 /nfs/dbraw/zinc/86/22/52/290862252.db2.gz UOUCNBCVXGOXQC-UWVGGRQHSA-N -1 3 289.297 3.020 20 0 CGADHM CC1=CC[C@@](C)(C(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC000612633554 348536204 /nfs/dbraw/zinc/53/62/04/348536204.db2.gz XLFCTUZYSIMMSH-MRXNPFEDSA-N -1 3 277.339 3.284 20 0 CGADHM Cc1ccc(C(=O)NCc2ccc(Cl)o2)c([O-])c1C ZINC000613361694 348593571 /nfs/dbraw/zinc/59/35/71/348593571.db2.gz QXRCTGAWXPGTKT-UHFFFAOYSA-N -1 3 279.723 3.185 20 0 CGADHM C[C@@H](Cc1ccco1)C(=O)N1CCCc2cccc([O-])c21 ZINC000613161226 348569876 /nfs/dbraw/zinc/56/98/76/348569876.db2.gz VMEQZNWDTNFIKQ-LBPRGKRZSA-N -1 3 285.343 3.143 20 0 CGADHM Cc1ccc([O-])c(NC(=O)[C@@H]2CCCC3(CC3)C2)n1 ZINC000614165650 348653573 /nfs/dbraw/zinc/65/35/73/348653573.db2.gz YVSIGXVFXDBZGE-LLVKDONJSA-N -1 3 260.337 3.005 20 0 CGADHM CCC(C)(C)CC(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000615138181 348717452 /nfs/dbraw/zinc/71/74/52/348717452.db2.gz VWSXFHWXFOIHHC-UHFFFAOYSA-N -1 3 261.325 3.033 20 0 CGADHM C[C@H](CC(=O)Nc1c([O-])cccc1Cl)[C@H]1CCCO1 ZINC000615322247 348732041 /nfs/dbraw/zinc/73/20/41/348732041.db2.gz OSAZUAFQQDSXSR-BXKDBHETSA-N -1 3 283.755 3.189 20 0 CGADHM Cc1ccn([C@H](C)CC(=O)Nc2c([O-])cccc2Cl)n1 ZINC000615322009 348732085 /nfs/dbraw/zinc/73/20/85/348732085.db2.gz MZWSVCFSMTVSCW-SNVBAGLBSA-N -1 3 293.754 3.140 20 0 CGADHM CCC1CCC([N-]S(=O)(=O)c2cc(C)ccc2F)CC1 ZINC000614622877 348686312 /nfs/dbraw/zinc/68/63/12/348686312.db2.gz STSJQLPDBRKNGS-UHFFFAOYSA-N -1 3 299.411 3.381 20 0 CGADHM C[C@@H]1CCCC[C@@H]1C(=O)NCc1ccc([O-])c2ncccc12 ZINC000616021132 348781828 /nfs/dbraw/zinc/78/18/28/348781828.db2.gz VRLHCURZZUYRER-OCCSQVGLSA-N -1 3 298.386 3.383 20 0 CGADHM C[C@H](C(=O)NCc1ccc([O-])c2ncccc12)C(C)(C)C ZINC000616025390 348782199 /nfs/dbraw/zinc/78/21/99/348782199.db2.gz NBDQODYOAYVQKX-LLVKDONJSA-N -1 3 286.375 3.239 20 0 CGADHM CC1(C)CC[C@@H](C(=O)NCc2ccc([O-])c3ncccc23)C1 ZINC000616022967 348782249 /nfs/dbraw/zinc/78/22/49/348782249.db2.gz LXRXPJLDWIOYGT-GFCCVEGCSA-N -1 3 298.386 3.383 20 0 CGADHM C[C@H]1CCC[C@H](C(=O)NCc2ccc([O-])c3ncccc23)C1 ZINC000616024785 348782472 /nfs/dbraw/zinc/78/24/72/348782472.db2.gz FTMHVVLWWSJWGE-STQMWFEESA-N -1 3 298.386 3.383 20 0 CGADHM CC(C)[C@H]1C[C@H]1C(=O)Nc1ccc([O-])cc1Cl ZINC000616940957 348885215 /nfs/dbraw/zinc/88/52/15/348885215.db2.gz LJCMHJNTOUCGNB-NXEZZACHSA-N -1 3 253.729 3.276 20 0 CGADHM CCOc1nc2cc(C(=O)N(CC)[C@@H](C)CC)ccc2[n-]1 ZINC000616977845 348889004 /nfs/dbraw/zinc/88/90/04/348889004.db2.gz ODOZABCQSGDCIH-NSHDSACASA-N -1 3 289.379 3.222 20 0 CGADHM CCOc1nc2ccc(C(=O)N(CC)[C@@H](C)CC)cc2[n-]1 ZINC000616977845 348889006 /nfs/dbraw/zinc/88/90/06/348889006.db2.gz ODOZABCQSGDCIH-NSHDSACASA-N -1 3 289.379 3.222 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-][C@H](C)CCC(C)(C)C)o1 ZINC000358465012 233137305 /nfs/dbraw/zinc/13/73/05/233137305.db2.gz PPAOUFYMJYCEMW-SNVBAGLBSA-N -1 3 273.398 3.081 20 0 CGADHM O=[S@](c1ccc([O-])cc1)[C@H]1CCc2ccccc21 ZINC000618630986 349130474 /nfs/dbraw/zinc/13/04/74/349130474.db2.gz CPOGYQMMSLYTDC-MAUKXSAKSA-N -1 3 258.342 3.187 20 0 CGADHM CCC1(CC)CCCN(C(=O)c2cccc3[n-]nnc32)C1 ZINC000618667969 349138044 /nfs/dbraw/zinc/13/80/44/349138044.db2.gz IMNOUDSRXBCDNR-UHFFFAOYSA-N -1 3 286.379 3.000 20 0 CGADHM CCC1(CC)CCCN(C(=O)c2cccc3nn[n-]c32)C1 ZINC000618667969 349138046 /nfs/dbraw/zinc/13/80/46/349138046.db2.gz IMNOUDSRXBCDNR-UHFFFAOYSA-N -1 3 286.379 3.000 20 0 CGADHM CCC1(CC)CCCN(C(=O)c2cccc3n[n-]nc32)C1 ZINC000618667969 349138047 /nfs/dbraw/zinc/13/80/47/349138047.db2.gz IMNOUDSRXBCDNR-UHFFFAOYSA-N -1 3 286.379 3.000 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2coc(-c3ccccc3)n2)n1 ZINC000352026954 219292241 /nfs/dbraw/zinc/29/22/41/219292241.db2.gz LWUSVXNECCFQIL-FPLPWBNLSA-N -1 3 279.299 3.316 20 0 CGADHM CC(C)n1cc(/C=C/c2ccc3cccc([O-])c3n2)nn1 ZINC000352028096 219293474 /nfs/dbraw/zinc/29/34/74/219293474.db2.gz SPDGXYOWHKMPMG-CMDGGOBGSA-N -1 3 280.331 3.283 20 0 CGADHM CCOC(=O)c1ncc(NC(=O)CCCC[C@H](C)CC)[n-]1 ZINC000619447544 349251425 /nfs/dbraw/zinc/25/14/25/349251425.db2.gz FJYCUUVMCSRNSG-LLVKDONJSA-N -1 3 295.383 3.131 20 0 CGADHM CCOC(=O)c1nc(NC(=O)CCCC[C@H](C)CC)c[n-]1 ZINC000619447544 349251429 /nfs/dbraw/zinc/25/14/29/349251429.db2.gz FJYCUUVMCSRNSG-LLVKDONJSA-N -1 3 295.383 3.131 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2cc(Cl)cs2)n1 ZINC000352036064 219299014 /nfs/dbraw/zinc/29/90/14/219299014.db2.gz VOAGTZMPQUAPCB-NSCUHMNNSA-N -1 3 252.726 3.376 20 0 CGADHM Cc1cc(C(=O)N2CCC[C@@H](C3CCC3)C2)ccc1[O-] ZINC000620205850 349338120 /nfs/dbraw/zinc/33/81/20/349338120.db2.gz FWZWRRVUAQOCGJ-OAHLLOKOSA-N -1 3 273.376 3.353 20 0 CGADHM CC1(C)C[C@@]1(C)NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000620075752 349319401 /nfs/dbraw/zinc/31/94/01/349319401.db2.gz BXUHSJHCISNCLQ-MRXNPFEDSA-N -1 3 279.355 3.159 20 0 CGADHM COc1cccc(-c2nc(-c3ccsc3)no2)c1[O-] ZINC000104412749 185992692 /nfs/dbraw/zinc/99/26/92/185992692.db2.gz ZVRDOPWNEQKLKY-UHFFFAOYSA-N -1 3 274.301 3.179 20 0 CGADHM Cc1ccc([O-])c(-c2nc(-c3coc(C4CC4)n3)no2)c1 ZINC000624714840 350089042 /nfs/dbraw/zinc/08/90/42/350089042.db2.gz OYUOIHKTNIEIBN-UHFFFAOYSA-N -1 3 283.287 3.283 20 0 CGADHM CC[C@H]1CO[C@@H](C)CN1Cc1cc([O-])ccc1Cl ZINC000625081234 350126260 /nfs/dbraw/zinc/12/62/60/350126260.db2.gz MLOOTJAIRMYHEB-JQWIXIFHSA-N -1 3 269.772 3.045 20 0 CGADHM [O-]c1ccc(Cl)c(CN2CC[C@H]2C(F)(F)F)c1 ZINC000625441593 350172347 /nfs/dbraw/zinc/17/23/47/350172347.db2.gz ZJYKMXNCXONOTC-JTQLQIEISA-N -1 3 265.662 3.182 20 0 CGADHM CCC[C@H]1CCCN(C(=O)c2c(C)cccc2[O-])C1 ZINC000626073533 350256928 /nfs/dbraw/zinc/25/69/28/350256928.db2.gz RBQKEURDAVZMAC-ZDUSSCGKSA-N -1 3 261.365 3.353 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CC[C@H](c2ccc(F)cc2)C1 ZINC000626058018 350253901 /nfs/dbraw/zinc/25/39/01/350253901.db2.gz LTRNLDJCAIDUCA-AWEZNQCLSA-N -1 3 299.345 3.469 20 0 CGADHM CC(=O)c1cccc(NC(=O)C[C@@H](C)C(F)(F)F)c1[O-] ZINC000627276425 350355050 /nfs/dbraw/zinc/35/50/50/350355050.db2.gz DWGPJRPJZIKFAS-SSDOTTSWSA-N -1 3 289.253 3.122 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CC(C2CCCCC2)C1 ZINC000627545636 350365354 /nfs/dbraw/zinc/36/53/54/350365354.db2.gz RMBCUALRGAGWNN-UHFFFAOYSA-N -1 3 273.376 3.353 20 0 CGADHM Cc1ccc(C(=O)N2C[C@H](C)C(F)(F)[C@@H](C)C2)c([O-])c1 ZINC000628396446 350526027 /nfs/dbraw/zinc/52/60/27/350526027.db2.gz IVWOVUUHLFNAGC-QWRGUYRKSA-N -1 3 283.318 3.064 20 0 CGADHM Cc1oc(C(=O)[O-])cc1CN1C[C@@H](C)C(F)(F)[C@H](C)C1 ZINC000629363588 350678467 /nfs/dbraw/zinc/67/84/67/350678467.db2.gz GFCPQTRYCHXXDE-RKDXNWHRSA-N -1 3 287.306 3.009 20 0 CGADHM O=C([O-])[C@@H]1CCN(Cc2cccc(Cl)c2)[C@@H]2CCC[C@@H]21 ZINC000629374599 350682257 /nfs/dbraw/zinc/68/22/57/350682257.db2.gz XUPOWERYJKKSSD-RBSFLKMASA-N -1 3 293.794 3.415 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CC[C@H](c2ccc(O)cc2)C1 ZINC000629654016 350731531 /nfs/dbraw/zinc/73/15/31/350731531.db2.gz AKWIRBUIWIBYFD-AWEZNQCLSA-N -1 3 297.354 3.036 20 0 CGADHM C[C@H]1CC[C@@H](c2nc(=O)c3c4c(sc3[n-]2)CCC4)O1 ZINC000630386643 350831131 /nfs/dbraw/zinc/83/11/31/350831131.db2.gz YHHOEWZYAVROLT-CBAPKCEASA-N -1 3 276.361 3.126 20 0 CGADHM O=C([N-]c1nc(C2CCCCC2)cs1)c1cnns1 ZINC000633749743 351358747 /nfs/dbraw/zinc/35/87/47/351358747.db2.gz ZYMUYHVRJMVDOR-UHFFFAOYSA-N -1 3 294.405 3.295 20 0 CGADHM CCc1[n-]n(Cc2cc(F)ccc2F)c(=O)c1C(C)C ZINC000634596680 351533796 /nfs/dbraw/zinc/53/37/96/351533796.db2.gz NCJKALGGCKTUFH-CQSZACIVSA-N -1 3 280.318 3.345 20 0 CGADHM CCc1c(-c2ccccc2)[n-]n([C@@H](C)c2ccncc2)c1=O ZINC000634626580 351550026 /nfs/dbraw/zinc/55/00/26/351550026.db2.gz HJQHUMYPRQTKRF-BBRMVZONSA-N -1 3 293.370 3.415 20 0 CGADHM Cc1cc(OCCCCCF)cc2occ([O-])c21 ZINC000634561062 351514921 /nfs/dbraw/zinc/51/49/21/351514921.db2.gz JRRWOCNSZHPZDJ-UHFFFAOYSA-N -1 3 252.285 3.089 20 0 CGADHM CCc1cc(C(=O)N(C)Cc2ccoc2C)ccc1[O-] ZINC000291466187 198029283 /nfs/dbraw/zinc/02/92/83/198029283.db2.gz ISWJGEUDFCEPGU-UHFFFAOYSA-N -1 3 273.332 3.128 20 0 CGADHM CC(C)c1nccn1CC(=O)Nc1ccc([O-])cc1Cl ZINC000636169159 351727114 /nfs/dbraw/zinc/72/71/14/351727114.db2.gz OKKVWNXEPPIAQJ-UHFFFAOYSA-N -1 3 293.754 3.004 20 0 CGADHM CCN(C(=O)c1ccc(C)cc1[O-])[C@H]1CCOC(C)(C)C1 ZINC000291734555 198074418 /nfs/dbraw/zinc/07/44/18/198074418.db2.gz XEPFHMBANAIBIF-ZDUSSCGKSA-N -1 3 291.391 3.120 20 0 CGADHM [O-]C(=NOCCC(F)(F)F)Nc1ccccc1Cl ZINC000122444357 187032882 /nfs/dbraw/zinc/03/28/82/187032882.db2.gz PLTSKJCXNHIGHM-UHFFFAOYSA-N -1 3 282.649 3.346 20 0 CGADHM O=C([N-]OCCC(F)(F)F)Nc1ccccc1Cl ZINC000122444357 187032883 /nfs/dbraw/zinc/03/28/83/187032883.db2.gz PLTSKJCXNHIGHM-UHFFFAOYSA-N -1 3 282.649 3.346 20 0 CGADHM CCC1CCC([N-]S(=O)(=O)c2ccccc2F)CC1 ZINC000048440311 137901693 /nfs/dbraw/zinc/90/16/93/137901693.db2.gz YZMILXLKQRBEAA-UHFFFAOYSA-N -1 3 285.384 3.073 20 0 CGADHM O=C([N-]OC[C@H]1CCOC1)Nc1cccc(C2CCC2)c1 ZINC000292006004 198132718 /nfs/dbraw/zinc/13/27/18/198132718.db2.gz IFSMBVVXZOUFES-LBPRGKRZSA-N -1 3 290.363 3.044 20 0 CGADHM CC[C@@H]1CC[C@@H](C)N1Cc1nc(=O)c2sccc2[n-]1 ZINC000271639495 191253558 /nfs/dbraw/zinc/25/35/58/191253558.db2.gz ZXFFVIXHKOUORB-NXEZZACHSA-N -1 3 277.393 3.160 20 0 CGADHM CC[C@H](SC)C(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000153379223 188079093 /nfs/dbraw/zinc/07/90/93/188079093.db2.gz BSPGLMJBQKZTQC-JTQLQIEISA-N -1 3 293.310 3.491 20 0 CGADHM CC(C)CO[N-]C(=O)/C=C/c1nc2ccccc2s1 ZINC000153527978 188087199 /nfs/dbraw/zinc/08/71/99/188087199.db2.gz BBYFPMKUJQVRGS-BQYQJAHWSA-N -1 3 276.361 3.013 20 0 CGADHM CCc1onc(C)c1[N-]C(=O)c1csc(CC(C)C)n1 ZINC000153943396 188113125 /nfs/dbraw/zinc/11/31/25/188113125.db2.gz XLOQBUPPYRYIDE-UHFFFAOYSA-N -1 3 293.392 3.453 20 0 CGADHM CCCCOc1ncccc1C[N-]c1nnc(C(F)F)o1 ZINC000292417439 198280596 /nfs/dbraw/zinc/28/05/96/198280596.db2.gz FGBQUISJDCFSGT-UHFFFAOYSA-N -1 3 298.293 3.193 20 0 CGADHM Cc1ccc(NC(=O)c2cc(C)ccc2[O-])c(CN(C)C)c1 ZINC000155932422 188236035 /nfs/dbraw/zinc/23/60/35/188236035.db2.gz KNZDQMCHMIPPPN-UHFFFAOYSA-N -1 3 298.386 3.323 20 0 CGADHM CCOc1ccc(OCC)c(NC([O-])=NOCC(C)C)c1 ZINC000158498857 188379117 /nfs/dbraw/zinc/37/91/17/188379117.db2.gz HACYIRNLIWEVBD-UHFFFAOYSA-N -1 3 296.367 3.193 20 0 CGADHM CCOc1ccc(OCC)c(NC(=O)[N-]OCC(C)C)c1 ZINC000158498857 188379118 /nfs/dbraw/zinc/37/91/18/188379118.db2.gz HACYIRNLIWEVBD-UHFFFAOYSA-N -1 3 296.367 3.193 20 0 CGADHM Cc1ccc(C(=O)N2CCCC23CCC3)c([O-])c1C ZINC000336424599 213284662 /nfs/dbraw/zinc/28/46/62/213284662.db2.gz MRROLHKYFFZEJH-UHFFFAOYSA-N -1 3 259.349 3.168 20 0 CGADHM COCc1nocc1C(=O)[N-]c1ccc(C)cc1SC ZINC000413894979 235317099 /nfs/dbraw/zinc/31/70/99/235317099.db2.gz JVDNRQQRPHEMGV-UHFFFAOYSA-N -1 3 292.360 3.104 20 0 CGADHM CCC(CC)n1ccc(C[S@@](=O)c2cccc([O-])c2)n1 ZINC000273554172 192199152 /nfs/dbraw/zinc/19/91/52/192199152.db2.gz ZJNVNLMBJASFER-HXUWFJFHSA-N -1 3 292.404 3.258 20 0 CGADHM Cc1cc(F)c(CNCC(C)(C)CC(=O)[O-])c(Cl)c1 ZINC000417550897 235636594 /nfs/dbraw/zinc/63/65/94/235636594.db2.gz XMLLXAFDHKFGLE-UHFFFAOYSA-N -1 3 287.762 3.378 20 0 CGADHM CC(C(=O)Nc1cccc(Cl)c1[O-])C(F)(F)F ZINC000336342051 213190398 /nfs/dbraw/zinc/19/03/98/213190398.db2.gz ZLFIXWONJVNQQZ-YFKPBYRVSA-N -1 3 267.634 3.183 20 0 CGADHM O=C(Nc1ccncc1[O-])[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000109890824 138362157 /nfs/dbraw/zinc/36/21/57/138362157.db2.gz URTPYBVMTOQONR-DTWKUNHWSA-N -1 3 288.269 3.094 20 0 CGADHM O=C(Nc1ccncc1[O-])[C@@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000109888935 138362412 /nfs/dbraw/zinc/36/24/12/138362412.db2.gz DIQSKCIDAKUZGI-VXGBXAGGSA-N -1 3 288.734 3.183 20 0 CGADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1ccoc1 ZINC000125311125 138381565 /nfs/dbraw/zinc/38/15/65/138381565.db2.gz VJYWCZKAKYTUDP-UHFFFAOYSA-N -1 3 271.194 3.256 20 0 CGADHM O=C([O-])CN1CCCC[C@H]1c1ccccc1C(F)(F)F ZINC000430649833 304067834 /nfs/dbraw/zinc/06/78/34/304067834.db2.gz JGCQICSUOTVTFZ-LBPRGKRZSA-N -1 3 287.281 3.317 20 0 CGADHM Cc1ccoc1CNCC[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000426630465 236303073 /nfs/dbraw/zinc/30/30/73/236303073.db2.gz UWKFTNUZMXHVPE-HNNXBMFYSA-N -1 3 287.359 3.011 20 0 CGADHM C[C@@H](C(=O)[O-])[C@@H](NCc1ccc(F)cc1)c1ccccc1 ZINC000426741862 236310083 /nfs/dbraw/zinc/31/00/83/236310083.db2.gz HQIQCJPRRIJUOK-MLGOLLRUSA-N -1 3 287.334 3.377 20 0 CGADHM C[C@H](C(=O)[O-])[C@@H](NCc1cccc(F)c1)c1ccccc1 ZINC000426744538 236310227 /nfs/dbraw/zinc/31/02/27/236310227.db2.gz CZBYUHBKEQUTGF-BLLLJJGKSA-N -1 3 287.334 3.377 20 0 CGADHM Cc1ccc(C(=O)Nc2nc(C)ccc2[O-])c(Cl)c1 ZINC000427950647 236354750 /nfs/dbraw/zinc/35/47/50/236354750.db2.gz MVMSRDAVAGGREY-UHFFFAOYSA-N -1 3 276.723 3.310 20 0 CGADHM Cc1nc(C(C)C)oc1C(=O)Nc1c(C)cccc1[O-] ZINC000294671534 199127320 /nfs/dbraw/zinc/12/73/20/199127320.db2.gz UFJMJIQRCHGEIQ-UHFFFAOYSA-N -1 3 274.320 3.373 20 0 CGADHM [O-]c1cccc(CN2CCC[C@@H]2[C@@H]2CCCO2)c1Cl ZINC000294819925 199198083 /nfs/dbraw/zinc/19/80/83/199198083.db2.gz XMZABVPHUGZROD-OCCSQVGLSA-N -1 3 281.783 3.189 20 0 CGADHM CC(C)c1noc([N-]Cc2cccc(C(F)(F)F)n2)n1 ZINC000294934881 199257602 /nfs/dbraw/zinc/25/76/02/199257602.db2.gz KNOJMFPIYQTHNI-UHFFFAOYSA-N -1 3 286.257 3.219 20 0 CGADHM O=C(Nc1ncccc1[O-])[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000273029664 295977481 /nfs/dbraw/zinc/97/74/81/295977481.db2.gz DGXNVLZUAQOQCG-BDAKNGLRSA-N -1 3 288.269 3.094 20 0 CGADHM O=C([O-])c1ccc(CN[C@@H]2CCCc3occc32)cc1 ZINC000087846477 295990099 /nfs/dbraw/zinc/99/00/99/295990099.db2.gz KIJPXNYVZYNPIQ-CQSZACIVSA-N -1 3 271.316 3.145 20 0 CGADHM Cc1csc([C@H](C)NC(=O)c2ccc(C)c(C)c2[O-])n1 ZINC000436562438 237126678 /nfs/dbraw/zinc/12/66/78/237126678.db2.gz JOBVLPJRBNKICW-NSHDSACASA-N -1 3 290.388 3.265 20 0 CGADHM Cc1ccc(C(=O)N(C)c2ccc(F)cc2)c([O-])c1C ZINC000436564275 237134352 /nfs/dbraw/zinc/13/43/52/237134352.db2.gz RJOSNLACSMQKBV-UHFFFAOYSA-N -1 3 273.307 3.425 20 0 CGADHM Cc1ccncc1NC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436571650 237134468 /nfs/dbraw/zinc/13/44/68/237134468.db2.gz WWZLDOXYFKOCDW-UHFFFAOYSA-N -1 3 282.343 3.227 20 0 CGADHM COc1cccc(C2(NC(=O)c3ccc(C)cc3[O-])CC2)c1 ZINC000436580760 237136660 /nfs/dbraw/zinc/13/66/60/237136660.db2.gz CYONSPNLSUFGQG-UHFFFAOYSA-N -1 3 297.354 3.128 20 0 CGADHM O=C(NCC1(Cc2ccccc2)CC1)c1ccccc1[O-] ZINC000436600022 237142568 /nfs/dbraw/zinc/14/25/68/237142568.db2.gz GMOOKQACPALQEX-UHFFFAOYSA-N -1 3 281.355 3.145 20 0 CGADHM C[C@H](c1ccccc1)[C@H](C)NC(=O)c1ccccc1[O-] ZINC000436728402 237170912 /nfs/dbraw/zinc/17/09/12/237170912.db2.gz LEOVJVMMTRPKMN-STQMWFEESA-N -1 3 269.344 3.314 20 0 CGADHM Cc1cc(C(=O)N2CC[C@H](C)C(C)(C)C2)ccc1[O-] ZINC000436956535 237220453 /nfs/dbraw/zinc/22/04/53/237220453.db2.gz RYKRVPJZNWZWSA-LBPRGKRZSA-N -1 3 261.365 3.209 20 0 CGADHM Cc1ccc(-c2nc(Cc3ccccn3)no2)c([O-])c1C ZINC000436895437 237205621 /nfs/dbraw/zinc/20/56/21/237205621.db2.gz WVHAVYNXCYJEAG-UHFFFAOYSA-N -1 3 281.315 3.045 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)Nc1cccc(-c2ncco2)c1 ZINC000297631340 200246943 /nfs/dbraw/zinc/24/69/43/200246943.db2.gz CLOUUKMUBCKGJS-LLVKDONJSA-N -1 3 289.335 3.441 20 0 CGADHM C[C@H]1OCCN(Cc2cc([O-])cc(C(F)(F)F)c2)[C@@H]1C ZINC000356128870 291205598 /nfs/dbraw/zinc/20/55/98/291205598.db2.gz ZCORTNATVGKYCF-NXEZZACHSA-N -1 3 289.297 3.020 20 0 CGADHM CC[C@@H](C)CN(CC)C(=O)c1c[n-]c2ccccc2c1=O ZINC000176645206 189003014 /nfs/dbraw/zinc/00/30/14/189003014.db2.gz PQOWGRZGQKLBRG-GFCCVEGCSA-N -1 3 286.375 3.036 20 0 CGADHM C[C@@H](C(=O)Nc1ncccc1[O-])c1cccc(Cl)c1 ZINC000341900225 216144973 /nfs/dbraw/zinc/14/49/73/216144973.db2.gz KJTZMCBZGLKHFB-SECBINFHSA-N -1 3 276.723 3.183 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)C2[C@@H]3CCC[C@H]23)c1[O-] ZINC000178247688 189100536 /nfs/dbraw/zinc/10/05/36/189100536.db2.gz YYIKGGGEAPTTBS-DHHPTOIESA-N -1 3 265.740 3.339 20 0 CGADHM CCc1cc(C(=O)N2CCC[C@@H]2C(C)C)ccc1[O-] ZINC000342160414 216244923 /nfs/dbraw/zinc/24/49/23/216244923.db2.gz MOISQZYZUJRKOO-CQSZACIVSA-N -1 3 261.365 3.215 20 0 CGADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H](C)CC)nc2)n1 ZINC000301490369 201027015 /nfs/dbraw/zinc/02/70/15/201027015.db2.gz AQTXZKUOIAKWEG-SNVBAGLBSA-N -1 3 272.352 3.017 20 0 CGADHM CCc1cc(=O)[n-]c(-c2ccc(NCC3(C)CCC3)nc2)n1 ZINC000301521393 201044086 /nfs/dbraw/zinc/04/40/86/201044086.db2.gz DJLJXPHQSGTSTA-UHFFFAOYSA-N -1 3 298.390 3.409 20 0 CGADHM COC[C@@H]([N-]c1noc(C(C)(C)C)n1)c1ccc(C)o1 ZINC000302124349 201351882 /nfs/dbraw/zinc/35/18/82/201351882.db2.gz HQHJMDABZMFJIU-SNVBAGLBSA-N -1 3 279.340 3.068 20 0 CGADHM O=C([N-]c1ccncc1F)c1cc(F)c(F)c(F)c1F ZINC000119976171 370727584 /nfs/dbraw/zinc/72/75/84/370727584.db2.gz OQRICVDJOKIJHW-UHFFFAOYSA-N -1 3 288.175 3.029 20 0 CGADHM O=C(Nc1ccccc1[O-])c1cc2c(s1)CCC2 ZINC000120448311 370768541 /nfs/dbraw/zinc/76/85/41/370768541.db2.gz VUYBPQDDEZWIHW-UHFFFAOYSA-N -1 3 259.330 3.195 20 0 CGADHM O=[S@](C[C@@H]1CCCCC1(F)F)c1ccc([O-])cc1 ZINC000335634331 212349139 /nfs/dbraw/zinc/34/91/39/212349139.db2.gz ZFRJDXIDDLZWNC-XTZNXHDOSA-N -1 3 274.332 3.325 20 0 CGADHM FC1(F)CCC[C@H]1CSc1n[n-]c(-c2ccccn2)n1 ZINC000450841377 240110795 /nfs/dbraw/zinc/11/07/95/240110795.db2.gz BSRBGFUOZIPKJX-VIFPVBQESA-N -1 3 296.346 3.394 20 0 CGADHM CCC[C@@H](CC(C)C)C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000451327046 240275769 /nfs/dbraw/zinc/27/57/69/240275769.db2.gz FNYQNPJJYZFUQU-JSGCOSHPSA-N -1 3 293.411 3.084 20 0 CGADHM O=C([N-]c1nc2c(s1)C(=O)CCC2)c1sccc1F ZINC000335572278 212282539 /nfs/dbraw/zinc/28/25/39/212282539.db2.gz QWYIQZIDVZFJGL-UHFFFAOYSA-N -1 3 296.348 3.115 20 0 CGADHM [O-]c1cccc(CN2CC[C@@H](C3CC3)C2)c1Br ZINC000459337980 242079039 /nfs/dbraw/zinc/07/90/39/242079039.db2.gz KBVIBSZUUPRMGM-LLVKDONJSA-N -1 3 296.208 3.387 20 0 CGADHM CCc1ccc([C@H](C)NCc2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC000459469891 242119456 /nfs/dbraw/zinc/11/94/56/242119456.db2.gz MYHYZNHHOANQNE-LBPRGKRZSA-N -1 3 297.402 3.473 20 0 CGADHM CC(=O)c1cccc(NC(=O)[C@H]2CCC[C@@H](F)C2)c1[O-] ZINC000335544140 212244328 /nfs/dbraw/zinc/24/43/28/212244328.db2.gz RNPROFYDVDFYKA-WDEREUQCSA-N -1 3 279.311 3.062 20 0 CGADHM CC[C@H](C)C[C@@H](C)[N-]S(=O)(=O)c1cc(C)ccc1F ZINC000462707595 242356987 /nfs/dbraw/zinc/35/69/87/242356987.db2.gz VOEWOOOARBIMIS-CMPLNLGQSA-N -1 3 287.400 3.237 20 0 CGADHM C/C=C\c1ccc(NC(=O)NCc2ncccc2[O-])cc1 ZINC000353275571 220003235 /nfs/dbraw/zinc/00/32/35/220003235.db2.gz RWBSBZHHNZILQI-RQOWECAXSA-N -1 3 283.331 3.142 20 0 CGADHM FC(F)(F)c1c[n-]c(=NC[C@@H]2CCC(F)(F)C2)s1 ZINC000485419076 243335249 /nfs/dbraw/zinc/33/52/49/243335249.db2.gz XKZHKOAUGIECFZ-ZCFIWIBFSA-N -1 3 286.269 3.431 20 0 CGADHM O=S(=O)([N-]C1CCCC1)c1cccc(Cl)c1Cl ZINC000007375639 368570669 /nfs/dbraw/zinc/57/06/69/368570669.db2.gz AZZFIJYXXXIPHD-UHFFFAOYSA-N -1 3 294.203 3.214 20 0 CGADHM CCC[C@@H](NC(=O)c1ccc2n[n-]nc2c1)c1ccccc1 ZINC000016498305 368713302 /nfs/dbraw/zinc/71/33/02/368713302.db2.gz RHBOERYFMYVPJT-CQSZACIVSA-N -1 3 294.358 3.229 20 0 CGADHM CCc1cc(C(=O)NC2CCC3(CC3)CC2)ccc1[O-] ZINC000487645773 243460928 /nfs/dbraw/zinc/46/09/28/243460928.db2.gz XLXKKNWGUCRYJY-UHFFFAOYSA-N -1 3 273.376 3.407 20 0 CGADHM COc1cccc(C(=O)Nc2ccc(F)c(F)c2F)c1[O-] ZINC000019838430 368770632 /nfs/dbraw/zinc/77/06/32/368770632.db2.gz NPTSPVPZEVMGOB-UHFFFAOYSA-N -1 3 297.232 3.070 20 0 CGADHM COc1cccc(C(=O)Nc2c(C)cccc2C)c1[O-] ZINC000019840210 368771155 /nfs/dbraw/zinc/77/11/55/368771155.db2.gz IEVOTZJIOMVUBL-UHFFFAOYSA-N -1 3 271.316 3.270 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)CCCC(C)C)o1 ZINC000330641283 203069040 /nfs/dbraw/zinc/06/90/40/203069040.db2.gz CYIKXZGRHRLUEP-NSHDSACASA-N -1 3 273.398 3.081 20 0 CGADHM O=C(/C=C/c1ccccc1OC(F)F)[N-]OCCC1CC1 ZINC000492802759 244026788 /nfs/dbraw/zinc/02/67/88/244026788.db2.gz DYUOHYKRVGRXCT-BQYQJAHWSA-N -1 3 297.301 3.149 20 0 CGADHM O=C(/C=C\Sc1ccccc1)[N-]OCCC(F)(F)F ZINC000492693870 244008146 /nfs/dbraw/zinc/00/81/46/244008146.db2.gz ZZZSHZWLHDZLOC-TWGQIWQCSA-N -1 3 291.294 3.293 20 0 CGADHM CCN(C(=O)c1cccc([O-])c1)c1cccc(C)c1 ZINC000040235715 369153416 /nfs/dbraw/zinc/15/34/16/369153416.db2.gz NIIMPISKQPZDDH-UHFFFAOYSA-N -1 3 255.317 3.367 20 0 CGADHM CCC1CCC(N(C)C(=O)c2ccc([O-])c(OC)c2)CC1 ZINC000276048360 193197455 /nfs/dbraw/zinc/19/74/55/193197455.db2.gz OMYGXIYSKQBILR-UHFFFAOYSA-N -1 3 291.391 3.442 20 0 CGADHM O=C(/C=C\c1ccc(C2CC2)cc1)[N-]O[C@H]1CCCCO1 ZINC000493063842 244090636 /nfs/dbraw/zinc/09/06/36/244090636.db2.gz MULKWOCXXOTAPC-KOJMWDNASA-N -1 3 287.359 3.152 20 0 CGADHM C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)[N-]OC/C=C\Cl)o1 ZINC000493289500 244133820 /nfs/dbraw/zinc/13/38/20/244133820.db2.gz JZJSKTNBOSSIOE-YVMZOLGPSA-N -1 3 281.739 3.217 20 0 CGADHM COc1cccc(C(=O)N2CCC[C@H]2C2CCCC2)c1[O-] ZINC000044352575 369260185 /nfs/dbraw/zinc/26/01/85/369260185.db2.gz VYRTTWAYILPRIB-AWEZNQCLSA-N -1 3 289.375 3.196 20 0 CGADHM O=C(Nc1ccccc1[O-])c1ccc(Cl)s1 ZINC000045629725 369282737 /nfs/dbraw/zinc/28/27/37/369282737.db2.gz JMQXNDJRQHETOV-UHFFFAOYSA-N -1 3 253.710 3.359 20 0 CGADHM CC(C)(C)c1nnc([N-]C(=O)c2cc(F)cc(F)c2)s1 ZINC000048665367 369363957 /nfs/dbraw/zinc/36/39/57/369363957.db2.gz IDCDKTNLCGFVOO-UHFFFAOYSA-N -1 3 297.330 3.366 20 0 CGADHM Cc1ccc(CN[C@H](C(=O)[O-])c2ccccc2)cc1C ZINC000050509832 369439341 /nfs/dbraw/zinc/43/93/41/369439341.db2.gz NPYJBHQATDHNLE-INIZCTEOSA-N -1 3 269.344 3.219 20 0 CGADHM Cc1ccc([O-])c(C(=O)NCc2ccc(F)c(Cl)c2)c1 ZINC000053158939 369479720 /nfs/dbraw/zinc/47/97/20/369479720.db2.gz FWUIKSYRFSNBHH-UHFFFAOYSA-N -1 3 293.725 3.423 20 0 CGADHM C[C@@H]1CCC[C@H](CCNC(=O)c2cccc([O-])c2)C1 ZINC000070540683 369804262 /nfs/dbraw/zinc/80/42/62/369804262.db2.gz PNNVNUFIIZKRGW-CHWSQXEVSA-N -1 3 261.365 3.338 20 0 CGADHM CCCC[C@@H](NCc1c(F)cccc1Cl)C(=O)[O-] ZINC000075424087 369907510 /nfs/dbraw/zinc/90/75/10/369907510.db2.gz VKRDHPIVLADZNY-GFCCVEGCSA-N -1 3 273.735 3.212 20 0 CGADHM CC(C)(CNCc1cc(C(F)(F)F)ccc1F)C(=O)[O-] ZINC000276943715 193509658 /nfs/dbraw/zinc/50/96/58/193509658.db2.gz CZITYYCTRLEGMA-UHFFFAOYSA-N -1 3 293.260 3.045 20 0 CGADHM Cc1cc([N-]S(=O)(=O)c2ccc3ccccc3c2)ccn1 ZINC000096744407 370213357 /nfs/dbraw/zinc/21/33/57/370213357.db2.gz UPMHGJSUNZBCTH-UHFFFAOYSA-N -1 3 298.367 3.344 20 0 CGADHM O=C([N-]c1nc(-c2ccsc2)ns1)c1ccoc1 ZINC000109111424 370360936 /nfs/dbraw/zinc/36/09/36/370360936.db2.gz AAXWWZIOBWUBOF-UHFFFAOYSA-N -1 3 277.330 3.112 20 0 CGADHM CC(C)(C)CCCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000104368126 370344154 /nfs/dbraw/zinc/34/41/54/370344154.db2.gz TYXUEWLOLNTKMY-UHFFFAOYSA-N -1 3 287.367 3.022 20 0 CGADHM CC(C)(C)CCCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000104368126 370344161 /nfs/dbraw/zinc/34/41/61/370344161.db2.gz TYXUEWLOLNTKMY-UHFFFAOYSA-N -1 3 287.367 3.022 20 0 CGADHM O=C(c1ccccc1[O-])N1CCC[C@@]2(CC=CCC2)C1 ZINC000114557875 370506097 /nfs/dbraw/zinc/50/60/97/370506097.db2.gz QIVYKHHXKHSLHU-KRWDZBQOSA-N -1 3 271.360 3.355 20 0 CGADHM C[C@H](CC1CCCC1)C(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000114327776 370498183 /nfs/dbraw/zinc/49/81/83/370498183.db2.gz HDBQSPWUCMSEBL-SNVBAGLBSA-N -1 3 288.351 3.220 20 0 CGADHM C[C@H](CC1CCCC1)C(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000114327776 370498189 /nfs/dbraw/zinc/49/81/89/370498189.db2.gz HDBQSPWUCMSEBL-SNVBAGLBSA-N -1 3 288.351 3.220 20 0 CGADHM C[C@H](CC1CCCC1)C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000114327776 370498197 /nfs/dbraw/zinc/49/81/97/370498197.db2.gz HDBQSPWUCMSEBL-SNVBAGLBSA-N -1 3 288.351 3.220 20 0 CGADHM COc1ncccc1C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000116978981 370576120 /nfs/dbraw/zinc/57/61/20/370576120.db2.gz GLEWMXVWMJSOMZ-UHFFFAOYSA-N -1 3 292.722 3.010 20 0 CGADHM CCC(CC)c1cc(C(=O)[N-]c2ccncc2F)on1 ZINC000132268795 371162576 /nfs/dbraw/zinc/16/25/76/371162576.db2.gz NYJKDVKGRVCSNW-UHFFFAOYSA-N -1 3 277.299 3.365 20 0 CGADHM Cc1oc(C(=O)[O-])cc1CN1[C@H](C)CCC[C@@H]1C ZINC000011803683 541850914 /nfs/dbraw/zinc/85/09/14/541850914.db2.gz SOEOHFWKHJSGSE-AOOOYVTPSA-N -1 3 251.326 3.049 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)C[C@@H]2CCCCO2)c1[O-] ZINC000133121318 371228613 /nfs/dbraw/zinc/22/86/13/371228613.db2.gz XHLNCTQLZDFMKT-NSHDSACASA-N -1 3 283.755 3.252 20 0 CGADHM COCCC1(CNC(=O)c2cc(C)ccc2[O-])CCCC1 ZINC000132990415 371217935 /nfs/dbraw/zinc/21/79/35/371217935.db2.gz ZCDPXBPNSPCOSP-UHFFFAOYSA-N -1 3 291.391 3.027 20 0 CGADHM O=C(Cc1ccc([O-])cc1Cl)N(CC1CC1)CC1CC1 ZINC000136282426 371473516 /nfs/dbraw/zinc/47/35/16/371473516.db2.gz TVQPPZQQIMDHCZ-UHFFFAOYSA-N -1 3 293.794 3.237 20 0 CGADHM Cc1ccc(C(=O)N2CCC(F)(F)[C@@H](C)C2)c([O-])c1C ZINC000290830590 372059836 /nfs/dbraw/zinc/05/98/36/372059836.db2.gz GOXWWLHQLSYQQU-JTQLQIEISA-N -1 3 283.318 3.126 20 0 CGADHM O=C(N[C@H](C1CC1)C(F)(F)F)c1cc([O-])ccc1Cl ZINC000290941448 372079036 /nfs/dbraw/zinc/07/90/36/372079036.db2.gz PYMSDJFEGKYSSD-SNVBAGLBSA-N -1 3 293.672 3.116 20 0 CGADHM [O-]c1cc(F)cc(CN2CC3(CCC3)[C@H]2[C@H]2CCCO2)c1 ZINC000291002447 372091131 /nfs/dbraw/zinc/09/11/31/372091131.db2.gz WCNBMPSTSDNFSB-HZPDHXFCSA-N -1 3 291.366 3.065 20 0 CGADHM CC[C@@H](C)CON=C([O-])Nc1cc(-c2ccccc2)on1 ZINC000292811367 372216170 /nfs/dbraw/zinc/21/61/70/372216170.db2.gz SBNOIGPRINTNGU-LLVKDONJSA-N -1 3 289.335 3.441 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)Nc1cc(-c2ccccc2)on1 ZINC000292811367 372216174 /nfs/dbraw/zinc/21/61/74/372216174.db2.gz SBNOIGPRINTNGU-LLVKDONJSA-N -1 3 289.335 3.441 20 0 CGADHM CCC(C)(C)C[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000428374536 372187599 /nfs/dbraw/zinc/18/75/99/372187599.db2.gz NJESNSSCAOCKTD-UHFFFAOYSA-N -1 3 293.791 3.194 20 0 CGADHM CCC(C)(C)C[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000428411176 372193628 /nfs/dbraw/zinc/19/36/28/372193628.db2.gz HGMWUWRXAWOXRB-UHFFFAOYSA-N -1 3 293.791 3.194 20 0 CGADHM Cc1ccc([O-])c(CNC(C)(C)c2cccs2)n1 ZINC000344304698 217141702 /nfs/dbraw/zinc/14/17/02/217141702.db2.gz FPBBXQGZLZTRAI-UHFFFAOYSA-N -1 3 262.378 3.182 20 0 CGADHM C[C@H](NCc1cccc([O-])c1Cl)[C@@H](O)c1ccccc1 ZINC000292986367 372269190 /nfs/dbraw/zinc/26/91/90/372269190.db2.gz NOONPDXZKSKXAS-MEDUHNTESA-N -1 3 291.778 3.257 20 0 CGADHM [O-]c1cc(F)cc(CNc2cccc(C3CC3)n2)c1 ZINC000293115213 372303179 /nfs/dbraw/zinc/30/31/79/372303179.db2.gz YSJJGAWLQGYVSX-UHFFFAOYSA-N -1 3 258.296 3.416 20 0 CGADHM O=C(c1cc([O-])ccc1Cl)N1CCOc2ccccc21 ZINC000433229185 296183939 /nfs/dbraw/zinc/18/39/39/296183939.db2.gz BNLFJZUMNGYQJZ-UHFFFAOYSA-N -1 3 289.718 3.085 20 0 CGADHM CC(C)CCC[C@@H](C)NC(=O)c1cc(F)cc2nn[n-]c21 ZINC000431528166 372483430 /nfs/dbraw/zinc/48/34/30/372483430.db2.gz KBGWFOVROKDBBU-SNVBAGLBSA-N -1 3 292.358 3.042 20 0 CGADHM CC(C)CCC[C@@H](C)NC(=O)c1cc(F)cc2[n-]nnc21 ZINC000431528166 372483438 /nfs/dbraw/zinc/48/34/38/372483438.db2.gz KBGWFOVROKDBBU-SNVBAGLBSA-N -1 3 292.358 3.042 20 0 CGADHM CC(C)CCC[C@@H](C)NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000431528166 372483444 /nfs/dbraw/zinc/48/34/44/372483444.db2.gz KBGWFOVROKDBBU-SNVBAGLBSA-N -1 3 292.358 3.042 20 0 CGADHM CN(C)c1ccccc1CNCc1cccc([O-])c1Cl ZINC000293684839 372449634 /nfs/dbraw/zinc/44/96/34/372449634.db2.gz VYXAVENQUGPGSP-UHFFFAOYSA-N -1 3 290.794 3.401 20 0 CGADHM CC[C@@H](CC(=O)[N-]OCC1CC1)c1ccc(OC)cc1 ZINC000293789467 372482510 /nfs/dbraw/zinc/48/25/10/372482510.db2.gz OONMFUYKBMJXRM-ZDUSSCGKSA-N -1 3 277.364 3.037 20 0 CGADHM CC(C)[C@]1(CO)CCCN(Cc2cccc([O-])c2Cl)C1 ZINC000293859715 372504624 /nfs/dbraw/zinc/50/46/24/372504624.db2.gz BZTOEYGVUYTAGT-MRXNPFEDSA-N -1 3 297.826 3.276 20 0 CGADHM Cc1cc(S(=O)(=O)[N-]C2(C)CCC2)c(Cl)cc1F ZINC000167429835 372596252 /nfs/dbraw/zinc/59/62/52/372596252.db2.gz LNBPSXCMZVLOSE-UHFFFAOYSA-N -1 3 291.775 3.008 20 0 CGADHM CCCNC(=O)CCc1ccc2ccccc2c1[O-] ZINC000294223347 372619447 /nfs/dbraw/zinc/61/94/47/372619447.db2.gz CYOZDZCAJLIRRY-UHFFFAOYSA-N -1 3 257.333 3.004 20 0 CGADHM COC(=O)c1[n-]c(=N[C@H]2C[C@@H]2C2CCCCC2)sc1C ZINC000433766572 372626526 /nfs/dbraw/zinc/62/65/26/372626526.db2.gz OBHAKFACTPHJAQ-NEPJUHHUSA-N -1 3 294.420 3.041 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)c2cccs2)c(F)c1 ZINC000171628420 372797893 /nfs/dbraw/zinc/79/78/93/372797893.db2.gz ZOKUMHGPOXUUEF-JTQLQIEISA-N -1 3 299.392 3.235 20 0 CGADHM Cc1ccc(C(=O)N2CC[C@H](C)C(C)(C)C2)c([O-])c1 ZINC000436963463 372842882 /nfs/dbraw/zinc/84/28/82/372842882.db2.gz ZLLGHMNYQNRPRI-LBPRGKRZSA-N -1 3 261.365 3.209 20 0 CGADHM Fc1ccccc1CSc1n[n-]c(-c2ccccn2)n1 ZINC000172161041 372917130 /nfs/dbraw/zinc/91/71/30/372917130.db2.gz YTYPWKQEVHPOGN-UHFFFAOYSA-N -1 3 286.335 3.298 20 0 CGADHM CCOc1ccccc1N(C)Cc1nc(C)ccc1[O-] ZINC000438276224 372918256 /nfs/dbraw/zinc/91/82/56/372918256.db2.gz AAZLDXKMDBUXNW-UHFFFAOYSA-N -1 3 272.348 3.131 20 0 CGADHM C[C@@H](C(=O)Nc1cccc(Cl)c1[O-])N1[C@H](C)CC[C@H]1C ZINC000172355370 372948177 /nfs/dbraw/zinc/94/81/77/372948177.db2.gz KAQHRTPFQXHMBX-MXWKQRLJSA-N -1 3 296.798 3.245 20 0 CGADHM Cc1c(Br)ccc([O-])c1NC(=O)C1CC=CC1 ZINC000296084820 373017408 /nfs/dbraw/zinc/01/74/08/373017408.db2.gz OUVLAYNWFWCZQL-UHFFFAOYSA-N -1 3 296.164 3.368 20 0 CGADHM C[C@@H]1COCC[C@H]1c1noc(/C=C/c2cccc([O-])c2)n1 ZINC000442686149 373064576 /nfs/dbraw/zinc/06/45/76/373064576.db2.gz USLYJJFNXSEHNQ-VYBLIETJSA-N -1 3 286.331 3.086 20 0 CGADHM CC(C)ON=C([O-])Nc1ccc2c3c(cccc31)CC2 ZINC000296176807 373044454 /nfs/dbraw/zinc/04/44/54/373044454.db2.gz BHKWXTCCERXDBY-UHFFFAOYSA-N -1 3 270.332 3.400 20 0 CGADHM CC(C)O[N-]C(=O)Nc1ccc2c3c(cccc31)CC2 ZINC000296176807 373044460 /nfs/dbraw/zinc/04/44/60/373044460.db2.gz BHKWXTCCERXDBY-UHFFFAOYSA-N -1 3 270.332 3.400 20 0 CGADHM Cc1c(Br)ccc([O-])c1NC(=O)/C=C/C1CC1 ZINC000296300645 373083365 /nfs/dbraw/zinc/08/33/65/373083365.db2.gz ZTFFSKMSSHOCGC-QPJJXVBHSA-N -1 3 296.164 3.368 20 0 CGADHM O=C(Nc1ccc(OC(F)(F)F)cc1[O-])C1CCCC1 ZINC000442937301 373130851 /nfs/dbraw/zinc/13/08/51/373130851.db2.gz VKAXZRSXDGUIKG-UHFFFAOYSA-N -1 3 289.253 3.420 20 0 CGADHM COc1cc(C(=O)NCC(C)(C)C2CCCC2)ccc1[O-] ZINC000443057812 373145903 /nfs/dbraw/zinc/14/59/03/373145903.db2.gz IDTNQUNIJVIYID-UHFFFAOYSA-N -1 3 291.391 3.347 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CCCC23CCC3)c1 ZINC000444612234 373211358 /nfs/dbraw/zinc/21/13/58/373211358.db2.gz IEAYEYZZLSWYPM-UHFFFAOYSA-N -1 3 259.349 3.113 20 0 CGADHM CCC(CC)c1nnc([N-]C(=O)c2oc(C)nc2C)s1 ZINC000174160137 373260683 /nfs/dbraw/zinc/26/06/83/373260683.db2.gz IDTQPSDHCRUCNJ-UHFFFAOYSA-N -1 3 294.380 3.299 20 0 CGADHM COc1ccc([O-])c(C(=O)N2C[C@@H](C)[C@H]2c2ccccc2)c1 ZINC000175152181 373418536 /nfs/dbraw/zinc/41/85/36/373418536.db2.gz MYTMNJVETZHEOV-PXAZEXFGSA-N -1 3 297.354 3.234 20 0 CGADHM Cc1ccc(-c2cc(C(=O)Nc3cc(C(C)C)[nH]n3)n[n-]2)o1 ZINC000174951137 373385411 /nfs/dbraw/zinc/38/54/11/373385411.db2.gz TWIVRBCWNBESHJ-UHFFFAOYSA-N -1 3 299.334 3.077 20 0 CGADHM Cc1ccc(-c2cc(C(=O)Nc3cc(C(C)C)[nH]n3)[n-]n2)o1 ZINC000174951137 373385419 /nfs/dbraw/zinc/38/54/19/373385419.db2.gz TWIVRBCWNBESHJ-UHFFFAOYSA-N -1 3 299.334 3.077 20 0 CGADHM Cc1cccc(NC(=O)CCCc2ccc([O-])c(F)c2)n1 ZINC000345029384 217390132 /nfs/dbraw/zinc/39/01/32/217390132.db2.gz WQSQIJHSWRYLSY-UHFFFAOYSA-N -1 3 288.322 3.196 20 0 CGADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCCC1 ZINC000299616606 373583563 /nfs/dbraw/zinc/58/35/63/373583563.db2.gz INGAQNINRDJGHF-UHFFFAOYSA-N -1 3 281.355 3.219 20 0 CGADHM O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1cc(F)ccc1Cl ZINC000300003027 373618198 /nfs/dbraw/zinc/61/81/98/373618198.db2.gz RXHKVXFPHJFEGP-BHYNMZESSA-N -1 3 297.757 3.164 20 0 CGADHM O=C(Cc1ccccc1)Nc1ccc(Cl)cc1[O-] ZINC000179192020 373845080 /nfs/dbraw/zinc/84/50/80/373845080.db2.gz NZNFDFLETFJIBU-UHFFFAOYSA-N -1 3 261.708 3.227 20 0 CGADHM CC[C@@H]1CCCCN1Cc1ccc(F)cc1C(=O)[O-] ZINC000071264727 541895290 /nfs/dbraw/zinc/89/52/90/541895290.db2.gz ACNKHLHWCUCAEQ-CYBMUJFWSA-N -1 3 265.328 3.288 20 0 CGADHM C[C@@H]1CCC[C@@H](CCNC(=O)Cc2ccc([O-])c(F)c2)C1 ZINC000449869044 373952004 /nfs/dbraw/zinc/95/20/04/373952004.db2.gz GCLFCFQLKFJPLO-OLZOCXBDSA-N -1 3 293.382 3.406 20 0 CGADHM Cc1cccc(C(=O)NCCc2cc3ccccc3o2)c1[O-] ZINC000303904543 374031549 /nfs/dbraw/zinc/03/15/49/374031549.db2.gz WJRYYTBCXXMKTO-UHFFFAOYSA-N -1 3 295.338 3.419 20 0 CGADHM CC(=O)c1[n-]c(=N[C@H]2CCO[C@@H](C(C)(C)C)C2)sc1C ZINC000450413135 374112305 /nfs/dbraw/zinc/11/23/05/374112305.db2.gz SGJYBJWUCAFHBB-NWDGAFQWSA-N -1 3 296.436 3.082 20 0 CGADHM CCC(CC)N(CC)C(=O)Cc1ccc([O-])c(F)c1 ZINC000452156979 374256099 /nfs/dbraw/zinc/25/60/99/374256099.db2.gz FDRPYNVJOJINGU-UHFFFAOYSA-N -1 3 267.344 3.111 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)N1CC(C2CCCCC2)C1 ZINC000452170418 374261412 /nfs/dbraw/zinc/26/14/12/374261412.db2.gz ZGQFGUJQLVNPBZ-UHFFFAOYSA-N -1 3 291.366 3.113 20 0 CGADHM C[C@@H]1C[C@H](c2cccnc2)N(C(=O)c2ccccc2[O-])C1 ZINC000182227537 374240824 /nfs/dbraw/zinc/24/08/24/374240824.db2.gz AOFHKDKCRNMDSF-IUODEOHRSA-N -1 3 282.343 3.011 20 0 CGADHM C[C@H](NC[C@@H]1CCCC[C@@H]1C)c1ncc(C(=O)[O-])s1 ZINC000315360315 374328313 /nfs/dbraw/zinc/32/83/13/374328313.db2.gz QPGKMNSUXJDSJO-DCAQKATOSA-N -1 3 282.409 3.318 20 0 CGADHM CC(C)(CCc1ccccc1)NC(=O)c1ccc(O)cc1[O-] ZINC000317696470 374340236 /nfs/dbraw/zinc/34/02/36/374340236.db2.gz GPUSNNNOMOPPMD-UHFFFAOYSA-N -1 3 299.370 3.239 20 0 CGADHM O=C(Nc1ccc(Cl)cc1[O-])c1cccc(O)c1 ZINC000182912758 374340559 /nfs/dbraw/zinc/34/05/59/374340559.db2.gz YBUQZRRIDCYDTD-UHFFFAOYSA-N -1 3 263.680 3.004 20 0 CGADHM CCOc1ccccc1N(C)C(=O)c1cccc([O-])c1 ZINC000182903923 374341672 /nfs/dbraw/zinc/34/16/72/374341672.db2.gz PMMOBVYYWGDFCQ-UHFFFAOYSA-N -1 3 271.316 3.068 20 0 CGADHM O=C([O-])CCC1CCN(Cc2cnc3ccccc3c2)CC1 ZINC000318154570 374342129 /nfs/dbraw/zinc/34/21/29/374342129.db2.gz XDVQFFQONPURQY-UHFFFAOYSA-N -1 3 298.386 3.312 20 0 CGADHM Cc1cccc([O-])c1NC(=O)c1ccc(-n2ccnc2)cc1 ZINC000183032136 374357191 /nfs/dbraw/zinc/35/71/91/374357191.db2.gz ZENZIVQLLYFHKI-UHFFFAOYSA-N -1 3 293.326 3.139 20 0 CGADHM Cc1cccc([O-])c1NC(=O)CCc1cccs1 ZINC000183054795 374363896 /nfs/dbraw/zinc/36/38/96/374363896.db2.gz GPHVODJNEIEEPM-UHFFFAOYSA-N -1 3 261.346 3.333 20 0 CGADHM Cc1ccc(O[C@H](C)C(=O)Nc2ccc([O-])cc2F)cc1 ZINC000183279496 374395956 /nfs/dbraw/zinc/39/59/56/374395956.db2.gz DOBWAHHNIQHKHH-LLVKDONJSA-N -1 3 289.306 3.246 20 0 CGADHM O=c1[n-]c([C@H]2CCCCN2CC2CCCCCC2)n[nH]1 ZINC000329641345 374417771 /nfs/dbraw/zinc/41/77/71/374417771.db2.gz ZSCDGSCERJORGG-CYBMUJFWSA-N -1 3 278.400 3.008 20 0 CGADHM C[C@@H](c1ccccc1F)[S@](=O)c1cccc([O-])c1 ZINC000184050676 374485978 /nfs/dbraw/zinc/48/59/78/374485978.db2.gz ZBNAMJJMXRQGNK-YPMLDQLKSA-N -1 3 264.321 3.400 20 0 CGADHM CC[C@H](CC1CCCC1)C(=O)NCc1ncccc1[O-] ZINC000330989866 374494215 /nfs/dbraw/zinc/49/42/15/374494215.db2.gz AKEGOPPCZAFZIE-CYBMUJFWSA-N -1 3 276.380 3.010 20 0 CGADHM C[C@H](C(=O)Nc1ccc(Cl)cc1[O-])N1[C@H](C)CC[C@@H]1C ZINC000330462043 374467786 /nfs/dbraw/zinc/46/77/86/374467786.db2.gz YHZCVFGXZVNRRX-OUAUKWLOSA-N -1 3 296.798 3.245 20 0 CGADHM CCCCC1CCC(C(=O)NCc2ncccc2[O-])CC1 ZINC000331025712 374497458 /nfs/dbraw/zinc/49/74/58/374497458.db2.gz UKAUEGOFIMIMRT-UHFFFAOYSA-N -1 3 290.407 3.400 20 0 CGADHM CC(=O)[C@@H]1C[C@H](CC(=O)Nc2ccc([O-])cc2F)C1(C)C ZINC000332460102 374575685 /nfs/dbraw/zinc/57/56/85/374575685.db2.gz JUWHFVBADGBWAH-PWSUYJOCSA-N -1 3 293.338 3.111 20 0 CGADHM CCc1cc(C(=O)NC2(C3(C)CC3)CC2)ccc1[O-] ZINC000456675458 374599066 /nfs/dbraw/zinc/59/90/66/374599066.db2.gz FHYGVCNONVTEGV-UHFFFAOYSA-N -1 3 259.349 3.017 20 0 CGADHM CC[C@](C)(NCc1cc([O-])cc(F)c1)c1nccs1 ZINC000185548351 374685856 /nfs/dbraw/zinc/68/58/56/374685856.db2.gz YAGUCSUDRUVCPU-AWEZNQCLSA-N -1 3 280.368 3.403 20 0 CGADHM O=C1CCc2ccc(NCc3cc([O-])cc(F)c3)cc2N1 ZINC000185596370 374695223 /nfs/dbraw/zinc/69/52/23/374695223.db2.gz YINFBDABNHMJTI-UHFFFAOYSA-N -1 3 286.306 3.028 20 0 CGADHM Cc1nscc1C(=O)[N-]c1cc(F)cc(F)c1F ZINC000334404779 374722208 /nfs/dbraw/zinc/72/22/08/374722208.db2.gz IZPZMKAEJRDNQK-UHFFFAOYSA-N -1 3 272.251 3.121 20 0 CGADHM C[C@@H]1CC[C@@H](C(N)=O)CN1Cc1cccc([O-])c1Cl ZINC000334411941 374729506 /nfs/dbraw/zinc/72/95/06/374729506.db2.gz UUKGISSTHZJJNZ-MWLCHTKSSA-N -1 3 282.771 3.181 20 0 CGADHM CN(Cc1cc(Cl)cn1C)Cc1cc([O-])cc(F)c1 ZINC000186266966 374823221 /nfs/dbraw/zinc/82/32/21/374823221.db2.gz FHQNVKJFVYUEQX-UHFFFAOYSA-N -1 3 282.746 3.155 20 0 CGADHM Cc1cccc([O-])c1NC(=O)c1ccnn1C1CCCC1 ZINC000334463535 374772059 /nfs/dbraw/zinc/77/20/59/374772059.db2.gz ZJLAOLJWURQSMK-UHFFFAOYSA-N -1 3 285.347 3.265 20 0 CGADHM C[C@@H]1CCN(C(=O)Cc2ccccc2N)c2c([O-])cccc21 ZINC000334598711 374894220 /nfs/dbraw/zinc/89/42/20/374894220.db2.gz JHDMOLVMHRFCIK-GFCCVEGCSA-N -1 3 296.370 3.057 20 0 CGADHM COc1cccc(NC(=O)c2cn[n-]c2-c2ccsc2)c1 ZINC000186926574 374940020 /nfs/dbraw/zinc/94/00/20/374940020.db2.gz FVZKKZVCWGDOFZ-UHFFFAOYSA-N -1 3 299.355 3.399 20 0 CGADHM COc1cccc(NC(=O)c2c[n-]nc2-c2ccsc2)c1 ZINC000186926574 374940023 /nfs/dbraw/zinc/94/00/23/374940023.db2.gz FVZKKZVCWGDOFZ-UHFFFAOYSA-N -1 3 299.355 3.399 20 0 CGADHM Cc1cccc([O-])c1NC(=O)c1ncccc1Cl ZINC000334256613 206264636 /nfs/dbraw/zinc/26/46/36/206264636.db2.gz MGMVLZHOHCAACT-UHFFFAOYSA-N -1 3 262.696 3.001 20 0 CGADHM CN(C(=O)NCc1ccc([O-])c(F)c1)[C@H]1CCC(C)(C)C1 ZINC000474383060 375103830 /nfs/dbraw/zinc/10/38/30/375103830.db2.gz GSDBFCYPJNGBEA-LBPRGKRZSA-N -1 3 294.370 3.251 20 0 CGADHM COC(=O)c1cnc(SCc2cc(C)cc(C)c2)[n-]1 ZINC000187582967 375048703 /nfs/dbraw/zinc/04/87/03/375048703.db2.gz CKLNUKXJONKSAU-UHFFFAOYSA-N -1 3 276.361 3.105 20 0 CGADHM COC(=O)c1cnc(S[C@@H](C)c2cccc(C)c2)[n-]1 ZINC000187587087 375050561 /nfs/dbraw/zinc/05/05/61/375050561.db2.gz CVTSMIVWPXVVME-JTQLQIEISA-N -1 3 276.361 3.358 20 0 CGADHM CCC(CC)[N-]S(=O)(=O)c1cc(C)c(Cl)s1 ZINC000473907260 375066631 /nfs/dbraw/zinc/06/66/31/375066631.db2.gz AWEKVHLFXOCFEE-UHFFFAOYSA-N -1 3 281.830 3.177 20 0 CGADHM CCc1ccc(C(=O)N2CCS[C@H](C(C)C)C2)c([O-])c1 ZINC000187966541 375128091 /nfs/dbraw/zinc/12/80/91/375128091.db2.gz UGRTXTBHAFMHKX-HNNXBMFYSA-N -1 3 293.432 3.168 20 0 CGADHM CCc1cc(C(=O)N2CCC[C@H](C(C)C)C2)ccc1[O-] ZINC000487400074 375237485 /nfs/dbraw/zinc/23/74/85/375237485.db2.gz ZCLXHKVEDABKTD-HNNXBMFYSA-N -1 3 275.392 3.463 20 0 CGADHM C[C@H]1CCCN(C(=O)c2cc([O-])ccc2C(F)(F)F)C1 ZINC000188831487 375277012 /nfs/dbraw/zinc/27/70/12/375277012.db2.gz BOJSORDEGDBYOG-VIFPVBQESA-N -1 3 287.281 3.283 20 0 CGADHM CC(C)CCNC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000188854527 375281103 /nfs/dbraw/zinc/28/11/03/375281103.db2.gz GQGGCSSJKRBGNW-UHFFFAOYSA-N -1 3 275.270 3.187 20 0 CGADHM Cc1ccc(F)c(C(=O)NCc2ccc([O-])c(F)c2)c1F ZINC000335705458 375361572 /nfs/dbraw/zinc/36/15/72/375361572.db2.gz GJCLFMRKJKVBIX-UHFFFAOYSA-N -1 3 295.260 3.048 20 0 CGADHM COc1cccc(/C=C/C(=O)Nc2ccc(OC)cc2[O-])c1 ZINC000491968131 375381906 /nfs/dbraw/zinc/38/19/06/375381906.db2.gz XODVKWGNVZWHGB-RMKNXTFCSA-N -1 3 299.326 3.061 20 0 CGADHM [O-]c1ccc(F)c(CN[C@H]2CCCC(F)(F)C2)c1F ZINC000335817700 375455864 /nfs/dbraw/zinc/45/58/64/375455864.db2.gz PPVMFWAQYAOUCA-QMMMGPOBSA-N -1 3 277.261 3.338 20 0 CGADHM O=C([N-]c1nccc2sccc21)c1ncc(F)cc1F ZINC000190641839 375527402 /nfs/dbraw/zinc/52/74/02/375527402.db2.gz LXDCLMRKORGSQD-UHFFFAOYSA-N -1 3 291.282 3.222 20 0 CGADHM CC(=O)c1ccc(C(=O)[N-]c2c(F)cccc2F)s1 ZINC000336117159 375698224 /nfs/dbraw/zinc/69/82/24/375698224.db2.gz VYDXNCCSDWJCLT-UHFFFAOYSA-N -1 3 281.283 3.481 20 0 CGADHM CC[C@H]1CCCN(Cc2c(F)ccc([O-])c2F)C1 ZINC000507545357 375713047 /nfs/dbraw/zinc/71/30/47/375713047.db2.gz DYJUOISECWEDRU-JTQLQIEISA-N -1 3 255.308 3.292 20 0 CGADHM COc1ccc([O-])c(C(=O)Nc2ccnc(C)c2Cl)c1 ZINC000124804837 542034261 /nfs/dbraw/zinc/03/42/61/542034261.db2.gz ZXDHUIQKQVUQCA-UHFFFAOYSA-N -1 3 292.722 3.010 20 0 CGADHM CCc1cc([N-]S(=O)(=O)c2ccc(C)cc2)ccc1F ZINC000507632486 375717370 /nfs/dbraw/zinc/71/73/70/375717370.db2.gz AYYGIHSFKPALLC-UHFFFAOYSA-N -1 3 293.363 3.497 20 0 CGADHM Cc1ncc(C(=O)[N-]c2cc(F)cc(F)c2F)s1 ZINC000336149336 375727697 /nfs/dbraw/zinc/72/76/97/375727697.db2.gz KZOONMJISDOXLE-UHFFFAOYSA-N -1 3 272.251 3.121 20 0 CGADHM C[C@@H](c1ccc(F)cc1)N(C)C(=O)c1cccc([O-])c1 ZINC000193240546 375846557 /nfs/dbraw/zinc/84/65/57/375846557.db2.gz LPYPFACMELWCET-NSHDSACASA-N -1 3 273.307 3.365 20 0 CGADHM Cc1ccc(NC(=O)c2ccoc2Br)c([O-])c1 ZINC000193326140 375860239 /nfs/dbraw/zinc/86/02/39/375860239.db2.gz JYOVOKVPQUZLRI-UHFFFAOYSA-N -1 3 296.120 3.308 20 0 CGADHM CC(=O)c1cc(F)c([N-]C(=O)c2cnc(C)s2)c(F)c1 ZINC000336618313 375879404 /nfs/dbraw/zinc/87/94/04/375879404.db2.gz NANWDFRWWZIDNZ-UHFFFAOYSA-N -1 3 296.298 3.185 20 0 CGADHM COC(=O)c1cnc(SCCCc2ccc(C)cc2)[n-]1 ZINC000193549734 375892445 /nfs/dbraw/zinc/89/24/45/375892445.db2.gz NXFYMHUFMJCNMN-UHFFFAOYSA-N -1 3 290.388 3.230 20 0 CGADHM Cc1c(C(=O)Nc2ccc([O-])cc2F)ccn1C(C)C ZINC000336605410 375868715 /nfs/dbraw/zinc/86/87/15/375868715.db2.gz WANDMUWGXRCGSJ-UHFFFAOYSA-N -1 3 276.311 3.474 20 0 CGADHM Cc1ccc(CC(=O)Nc2ccc(Cl)cc2[O-])o1 ZINC000534709321 375998114 /nfs/dbraw/zinc/99/81/14/375998114.db2.gz NJCZZCMZBKQNKC-UHFFFAOYSA-N -1 3 265.696 3.128 20 0 CGADHM CCc1noc(C)c1[N-]C(=O)c1cc(F)c(C)cc1F ZINC000132740629 542077039 /nfs/dbraw/zinc/07/70/39/542077039.db2.gz UYYQQLIJNNAOPS-UHFFFAOYSA-N -1 3 280.274 3.384 20 0 CGADHM CCc1ccc(N[C@H](C)C(=O)[N-]c2cc(C)no2)cc1C ZINC000539853166 376340979 /nfs/dbraw/zinc/34/09/79/376340979.db2.gz DOGUBVDOOPKKMW-GFCCVEGCSA-N -1 3 287.363 3.293 20 0 CGADHM Cc1cc(C(=O)Nc2nnc(CC(C)C)s2)ccc1[O-] ZINC000226715424 376370401 /nfs/dbraw/zinc/37/04/01/376370401.db2.gz VHELTBZMIXKKOS-UHFFFAOYSA-N -1 3 291.376 3.003 20 0 CGADHM CC(C)(C(=O)Nc1cc(Cl)ccc1[O-])c1cccnc1 ZINC000334293393 206320852 /nfs/dbraw/zinc/32/08/52/206320852.db2.gz QBTLNUMDIWMBHE-UHFFFAOYSA-N -1 3 290.750 3.357 20 0 CGADHM O=C(N[C@H](c1ccccc1)C(F)(F)F)c1cccc([O-])c1 ZINC000541887045 376490989 /nfs/dbraw/zinc/49/09/89/376490989.db2.gz TYZPUHQNZXCDRW-CYBMUJFWSA-N -1 3 295.260 3.426 20 0 CGADHM CCC(CC)N(C(=O)c1ccc([O-])c(C)c1)C1CC1 ZINC000542785762 376577385 /nfs/dbraw/zinc/57/73/85/376577385.db2.gz KBGJZZLCDUUTTF-UHFFFAOYSA-N -1 3 261.365 3.494 20 0 CGADHM CC(C)[C@@H]1CCN(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000232696518 376584737 /nfs/dbraw/zinc/58/47/37/376584737.db2.gz DEWRMHSUDWOWDV-SNVBAGLBSA-N -1 3 267.756 3.164 20 0 CGADHM Cc1oc(C2CC2)nc1C(=O)[N-]c1c(F)cccc1F ZINC000334322962 206367913 /nfs/dbraw/zinc/36/79/13/206367913.db2.gz JHYFIUKUMZZQQP-UHFFFAOYSA-N -1 3 278.258 3.391 20 0 CGADHM O=C(NCc1ccccc1F)c1cc([O-])ccc1Cl ZINC000236555645 376667898 /nfs/dbraw/zinc/66/78/98/376667898.db2.gz JUWDYPUEUHVMLS-UHFFFAOYSA-N -1 3 279.698 3.115 20 0 CGADHM CC[C@@]1(C)C[C@H]1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000339007901 376626183 /nfs/dbraw/zinc/62/61/83/376626183.db2.gz YUYZYSNRSNZRRC-ZANVPECISA-N -1 3 253.729 3.420 20 0 CGADHM O=C(c1cc([O-])ccc1Cl)N1CCc2ccccc21 ZINC000236603271 376670434 /nfs/dbraw/zinc/67/04/34/376670434.db2.gz BARJJARYAXCWGY-UHFFFAOYSA-N -1 3 273.719 3.249 20 0 CGADHM O=C(NC1CCCCCC1)c1cc([O-])ccc1Cl ZINC000236609437 376671651 /nfs/dbraw/zinc/67/16/51/376671651.db2.gz VMZYCXFFUBHDNF-UHFFFAOYSA-N -1 3 267.756 3.498 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2c[nH]nc2-c2ccccc2F)n1 ZINC000339116392 376690822 /nfs/dbraw/zinc/69/08/22/376690822.db2.gz NXIOGKNMVNVUAJ-SREVYHEPSA-N -1 3 296.305 3.190 20 0 CGADHM CCCCn1c(=O)[n-]nc1SC[C@H]1CCC(F)(F)C1 ZINC000339116940 376691870 /nfs/dbraw/zinc/69/18/70/376691870.db2.gz ROVXXTRHLPVFOG-VIFPVBQESA-N -1 3 291.367 3.311 20 0 CGADHM Cc1cc(C)cc(NC(=O)c2cc(C(F)(F)F)n[n-]2)c1 ZINC000339227797 376739661 /nfs/dbraw/zinc/73/96/61/376739661.db2.gz DUYROFOLCZIFAN-UHFFFAOYSA-N -1 3 283.253 3.298 20 0 CGADHM Cc1cc(C)cc(NC(=O)c2cc(C(F)(F)F)[n-]n2)c1 ZINC000339227797 376739671 /nfs/dbraw/zinc/73/96/71/376739671.db2.gz DUYROFOLCZIFAN-UHFFFAOYSA-N -1 3 283.253 3.298 20 0 CGADHM C[C@@H](Cc1cccc(Cl)c1)C(=O)Nc1ncccc1[O-] ZINC000339656887 376788347 /nfs/dbraw/zinc/78/83/47/376788347.db2.gz KFOFKCUORKIJPV-JTQLQIEISA-N -1 3 290.750 3.258 20 0 CGADHM COC(=O)c1ccc([N-]C(=O)c2sccc2F)c(F)c1 ZINC000339948894 376876699 /nfs/dbraw/zinc/87/66/99/376876699.db2.gz CTSMSUQARBRYKD-UHFFFAOYSA-N -1 3 297.282 3.065 20 0 CGADHM O=C(Nc1cc(Br)ccc1[O-])[C@H]1[C@@H]2CCC[C@@H]21 ZINC000246179834 376983000 /nfs/dbraw/zinc/98/30/00/376983000.db2.gz HAKMKXXTIWMCOT-GDGBQDQQSA-N -1 3 296.164 3.139 20 0 CGADHM CCCN1CCC[C@@H]1C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000340326046 377001719 /nfs/dbraw/zinc/00/17/19/377001719.db2.gz DEPUCEDIAZEZBB-CYBMUJFWSA-N -1 3 296.798 3.167 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])C1(c2ccccc2F)CC1 ZINC000340328775 377005914 /nfs/dbraw/zinc/00/59/14/377005914.db2.gz MRSKNMARNSQTKF-UHFFFAOYSA-N -1 3 289.281 3.341 20 0 CGADHM CC(C)Cc1nc(C(=O)Nc2cc(F)ccc2[O-])cs1 ZINC000340332203 377010012 /nfs/dbraw/zinc/01/00/12/377010012.db2.gz NMGHENMGFHUCRH-UHFFFAOYSA-N -1 3 294.351 3.439 20 0 CGADHM CCc1cc(=O)[n-]c(CN2CC[C@@H](c3ccccc3)[C@H]2C)n1 ZINC000246717015 377076579 /nfs/dbraw/zinc/07/65/79/377076579.db2.gz SVEHHMBIFIZZNP-CZUORRHYSA-N -1 3 297.402 3.123 20 0 CGADHM C[C@@H]1C[C@@H](C(=O)Nc2cc(Cl)ccc2[O-])C[C@H](C)O1 ZINC000246796848 377090541 /nfs/dbraw/zinc/09/05/41/377090541.db2.gz QRGMHNTXYNMJMF-ILWJIGKKSA-N -1 3 283.755 3.188 20 0 CGADHM CC(=O)c1cccc(NC(=O)Cc2ccccc2C)c1[O-] ZINC000560551128 377167275 /nfs/dbraw/zinc/16/72/75/377167275.db2.gz SCUHPGNPZNMBCN-UHFFFAOYSA-N -1 3 283.327 3.084 20 0 CGADHM CC(=O)c1cccc(NC(=O)[C@H](C)c2cccs2)c1[O-] ZINC000560550290 377168851 /nfs/dbraw/zinc/16/88/51/377168851.db2.gz JXMLNRPXROKOAW-SECBINFHSA-N -1 3 289.356 3.399 20 0 CGADHM CC(C)c1ccccc1NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000561109631 377208158 /nfs/dbraw/zinc/20/81/58/377208158.db2.gz NDCNKAYZNWIRSP-UHFFFAOYSA-N -1 3 297.358 3.435 20 0 CGADHM Cc1ccc(-c2nc([C@@H]3CCCS3)no2)c([O-])c1 ZINC000161646340 542159309 /nfs/dbraw/zinc/15/93/09/542159309.db2.gz HTWSDZVWVSEBPZ-NSHDSACASA-N -1 3 262.334 3.319 20 0 CGADHM Cc1ccc(-c2nc([C@H]3CCCS3)no2)c([O-])c1 ZINC000161646470 542160165 /nfs/dbraw/zinc/16/01/65/542160165.db2.gz HTWSDZVWVSEBPZ-LLVKDONJSA-N -1 3 262.334 3.319 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N2C[C@@H](C)[C@H]2c2ccccc2)n1 ZINC000248722404 377387538 /nfs/dbraw/zinc/38/75/38/377387538.db2.gz HAXSNTSIQGCFSY-FFSVYQOJSA-N -1 3 283.375 3.245 20 0 CGADHM [O-]c1ccc(-c2noc([C@@H]3CC3(Cl)Cl)n2)cc1 ZINC000264969570 190148699 /nfs/dbraw/zinc/14/86/99/190148699.db2.gz FBZXVLLXYPWVJJ-QMMMGPOBSA-N -1 3 271.103 3.103 20 0 CGADHM [O-]c1cc2ccccc2cc1-c1nc([C@H]2CCOC2)no1 ZINC000087810113 249024192 /nfs/dbraw/zinc/02/41/92/249024192.db2.gz ZNEPTXZAIJEQOH-LBPRGKRZSA-N -1 3 282.299 3.099 20 0 CGADHM C[C@H](CCNC(=O)c1c([O-])cccc1O)c1ccccc1 ZINC000092120575 249032499 /nfs/dbraw/zinc/03/24/99/249032499.db2.gz DINCOXUAXOOUNP-GFCCVEGCSA-N -1 3 285.343 3.021 20 0 CGADHM Cc1ccc([O-])c(C(=O)NC2CCC(OC(C)C)CC2)c1 ZINC000162871731 542166518 /nfs/dbraw/zinc/16/65/18/542166518.db2.gz JYEYRGNKZYWIDA-UHFFFAOYSA-N -1 3 291.391 3.167 20 0 CGADHM O=C(Nc1ccccc1[O-])[C@@H]1CCCCC1(F)F ZINC000294661988 249074525 /nfs/dbraw/zinc/07/45/25/249074525.db2.gz WMGJJPQBCVYGGR-VIFPVBQESA-N -1 3 255.264 3.156 20 0 CGADHM O=C(c1ccc([O-])cc1)C1CCN(C/C=C/Cl)CC1 ZINC000372023118 249118255 /nfs/dbraw/zinc/11/82/55/249118255.db2.gz HADOCQLDNFSMNB-UNXLUWIOSA-N -1 3 279.767 3.039 20 0 CGADHM C[C@@H]1CC[C@H](NCc2cccc([O-])c2Br)C1 ZINC000315225331 249098256 /nfs/dbraw/zinc/09/82/56/249098256.db2.gz IUQCXOBBNKBUGF-KOLCDFICSA-N -1 3 284.197 3.433 20 0 CGADHM Cc1cccc(NC(=O)C(=O)c2ccc3c(c2)CCC3)c1[O-] ZINC000174982024 542184593 /nfs/dbraw/zinc/18/45/93/542184593.db2.gz BVGZLCXCXPTYPJ-UHFFFAOYSA-N -1 3 295.338 3.011 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)c1-c1ccccc1 ZINC000515231680 249205565 /nfs/dbraw/zinc/20/55/65/249205565.db2.gz YEBQTLWDVQZZLA-ZNMIVQPWSA-N -1 3 295.386 3.182 20 0 CGADHM CCN(Cc1ccccc1C)[C@H](C(=O)[O-])c1cccnc1 ZINC000515174921 249203983 /nfs/dbraw/zinc/20/39/83/249203983.db2.gz WBSCJEDLUKKZQR-INIZCTEOSA-N -1 3 284.359 3.038 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2ccc3n[nH]cc3c2)c1 ZINC000518444594 249281675 /nfs/dbraw/zinc/28/16/75/249281675.db2.gz YWSFIKAQPMTJHQ-UHFFFAOYSA-N -1 3 281.315 3.083 20 0 CGADHM CCC1(CC)[C@H](N(C)Cc2occc2C(=O)[O-])C[C@@H]1OC ZINC000517036104 249255003 /nfs/dbraw/zinc/25/50/03/249255003.db2.gz YREGBNWRIMVMQP-KGLIPLIRSA-N -1 3 295.379 3.003 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2ccc(OC(C)C)cc2)n1 ZINC000517895265 249272855 /nfs/dbraw/zinc/27/28/55/249272855.db2.gz XDDYMHOQGWGEMQ-RMKNXTFCSA-N -1 3 270.332 3.448 20 0 CGADHM Cc1ccc(NC(=O)C[C@H](C)n2cccc2)c([O-])c1 ZINC000519080247 249292613 /nfs/dbraw/zinc/29/26/13/249292613.db2.gz PBGINMCKWFGRKZ-LBPRGKRZSA-N -1 3 258.321 3.092 20 0 CGADHM CCc1[n-][nH]c(=NC(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]23)c1C ZINC000573991359 377604959 /nfs/dbraw/zinc/60/49/59/377604959.db2.gz NGUIPSLBDOOTHG-BFHYXJOUSA-N -1 3 289.423 3.247 20 0 CGADHM CC(C)[C@@H](c1nc(-c2cc(=O)[n-]cn2)no1)c1ccccc1 ZINC000574082544 377616114 /nfs/dbraw/zinc/61/61/14/377616114.db2.gz QEKRFYNIMHLYIH-CQSZACIVSA-N -1 3 296.330 3.020 20 0 CGADHM O=C([O-])c1ccoc1CN1CCC(c2ccccc2)CC1 ZINC000574163852 377627995 /nfs/dbraw/zinc/62/79/95/377627995.db2.gz CJHJGXVXJHUMSP-UHFFFAOYSA-N -1 3 285.343 3.357 20 0 CGADHM CN(CCc1cccs1)[C@@H](C(=O)[O-])c1ccccc1F ZINC000574578906 377683305 /nfs/dbraw/zinc/68/33/05/377683305.db2.gz VVMIJSMMSBGRNB-CQSZACIVSA-N -1 3 293.363 3.187 20 0 CGADHM Cc1ccc([O-])c(CN2Cc3ccccc3OC(C)(C)C2)n1 ZINC000574845415 377717070 /nfs/dbraw/zinc/71/70/70/377717070.db2.gz CFSSWQCGYWMTLT-UHFFFAOYSA-N -1 3 298.386 3.269 20 0 CGADHM O=C(/C=C\c1cncc(F)c1)Nc1cc(Cl)ccc1[O-] ZINC000255060353 377729370 /nfs/dbraw/zinc/72/93/70/377729370.db2.gz PBOLOFSYKCMGLW-RJRFIUFISA-N -1 3 292.697 3.232 20 0 CGADHM COc1ccccc1/C=C\C(=O)Nc1c(C)cccc1[O-] ZINC000255145719 377736029 /nfs/dbraw/zinc/73/60/29/377736029.db2.gz UBHWLUSCNFMBDY-KHPPLWFESA-N -1 3 283.327 3.361 20 0 CGADHM C[C@@H](c1ccccc1)N(C)C(=O)/C=C\c1cncc([O-])c1 ZINC000255632700 377772001 /nfs/dbraw/zinc/77/20/01/377772001.db2.gz RDDPOKCTCLNVRX-YXVBKTCISA-N -1 3 282.343 3.020 20 0 CGADHM CCc1ccc([C@@H](C)NC(=O)c2cccc(OC)c2[O-])cc1 ZINC000255946530 377788098 /nfs/dbraw/zinc/78/80/98/377788098.db2.gz GJZBPKZESJSCNX-GFCCVEGCSA-N -1 3 299.370 3.454 20 0 CGADHM Cc1ccc(-c2csc([N-]C(=O)c3ccon3)n2)s1 ZINC000342993521 377877091 /nfs/dbraw/zinc/87/70/91/377877091.db2.gz LQKAUQDPWCAJBS-UHFFFAOYSA-N -1 3 291.357 3.420 20 0 CGADHM COCc1ccccc1NC(=O)c1cc(-c2ccco2)[n-]n1 ZINC000343183009 377920664 /nfs/dbraw/zinc/92/06/64/377920664.db2.gz KDZHUJDLYLWRFC-UHFFFAOYSA-N -1 3 297.314 3.068 20 0 CGADHM COCc1ccccc1NC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000343183009 377920671 /nfs/dbraw/zinc/92/06/71/377920671.db2.gz KDZHUJDLYLWRFC-UHFFFAOYSA-N -1 3 297.314 3.068 20 0 CGADHM CCC[C@@H](NCc1cc(Cl)sc1Cl)C(=O)[O-] ZINC000263168690 377920739 /nfs/dbraw/zinc/92/07/39/377920739.db2.gz PSOHEXVZYUAUAD-SSDOTTSWSA-N -1 3 282.192 3.398 20 0 CGADHM C[C@H](c1cc(F)ccc1F)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000263329031 377927443 /nfs/dbraw/zinc/92/74/43/377927443.db2.gz LDQOEACTNDEASJ-MXWKQRLJSA-N -1 3 283.318 3.068 20 0 CGADHM COc1ccc(CN2C[C@@H](C(=O)[O-])CC[C@@H]2C)c(Cl)c1 ZINC000263350731 377927628 /nfs/dbraw/zinc/92/76/28/377927628.db2.gz PRSIAXNRMIKSJQ-JQWIXIFHSA-N -1 3 297.782 3.034 20 0 CGADHM C[C@H](c1ccc(F)cc1F)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000263390742 377930642 /nfs/dbraw/zinc/93/06/42/377930642.db2.gz YPZNKECCVJHXPY-MXWKQRLJSA-N -1 3 283.318 3.068 20 0 CGADHM COc1ccc(C2(NCc3ccc(C(=O)[O-])cc3)CC2)cc1 ZINC000263424290 377934601 /nfs/dbraw/zinc/93/46/01/377934601.db2.gz PXRDWKUTGOLMJW-UHFFFAOYSA-N -1 3 297.354 3.172 20 0 CGADHM CC(C)N(CC(=O)[O-])Cc1ccc(F)c(Cl)c1Cl ZINC000263469287 377939452 /nfs/dbraw/zinc/93/94/52/377939452.db2.gz DEUZAVNDEWJYAD-UHFFFAOYSA-N -1 3 294.153 3.428 20 0 CGADHM Cc1ccc(CN2C[C@@H](C(=O)[O-])CC[C@@H]2C)cc1Cl ZINC000263490805 377940695 /nfs/dbraw/zinc/94/06/95/377940695.db2.gz IMFMCQVXGZTJEY-AAEUAGOBSA-N -1 3 281.783 3.334 20 0 CGADHM CC(C)C[C@@H](CNCc1sccc1Cl)C(=O)[O-] ZINC000263484042 377940713 /nfs/dbraw/zinc/94/07/13/377940713.db2.gz LWGJGBZZYCWGMF-VIFPVBQESA-N -1 3 275.801 3.238 20 0 CGADHM C[C@@H]1CC[C@H](C(=O)[O-])CN1Cc1ccccc1Cl ZINC000263510725 377943238 /nfs/dbraw/zinc/94/32/38/377943238.db2.gz NGJBIYNKHRROOE-PWSUYJOCSA-N -1 3 267.756 3.025 20 0 CGADHM [O-]c1cccnc1CN1CC2(CCC2)[C@H]1c1ccco1 ZINC000577823166 378014838 /nfs/dbraw/zinc/01/48/38/378014838.db2.gz IRECJDJMHNVUOS-OAHLLOKOSA-N -1 3 270.332 3.107 20 0 CGADHM COc1ccc(Cl)c(CN(C[C@@H](C)C(=O)[O-])C2CC2)c1 ZINC000577857715 378017715 /nfs/dbraw/zinc/01/77/15/378017715.db2.gz KHXQDHYPQNHBLF-SNVBAGLBSA-N -1 3 297.782 3.034 20 0 CGADHM FC(F)(F)c1csc(=NC[C@H]2CCCCS2)[n-]1 ZINC000343601350 378035521 /nfs/dbraw/zinc/03/55/21/378035521.db2.gz LMZVFIWXSODUDN-SSDOTTSWSA-N -1 3 282.356 3.281 20 0 CGADHM Cc1oc(CN(C)CCCCOC(C)(C)C)cc1C(=O)[O-] ZINC000579132968 378133116 /nfs/dbraw/zinc/13/31/16/378133116.db2.gz RSAUPULEGWBCOM-UHFFFAOYSA-N -1 3 297.395 3.313 20 0 CGADHM C[C@H]1CC2(CCC2)CN1Cc1ccc(C(=O)[O-])cc1F ZINC000578660413 378088157 /nfs/dbraw/zinc/08/81/57/378088157.db2.gz GEANZPTUDMANLM-NSHDSACASA-N -1 3 277.339 3.288 20 0 CGADHM C[C@H](c1ccc(F)cc1F)N1C[C@@H](C)[C@@](C)(C(=O)[O-])C1 ZINC000579848060 378202221 /nfs/dbraw/zinc/20/22/21/378202221.db2.gz LJAOKKCAHMFUJL-FCHSOHFDSA-N -1 3 283.318 3.068 20 0 CGADHM O=C([O-])c1occc1CN1CCC[C@H]1c1cccs1 ZINC000582246815 378297210 /nfs/dbraw/zinc/29/72/10/378297210.db2.gz RFGFIGIXUBOVGZ-NSHDSACASA-N -1 3 277.345 3.376 20 0 CGADHM c1coc(-c2cc(-c3nc(Cc4cccs4)no3)n[n-]2)c1 ZINC000345483174 378294730 /nfs/dbraw/zinc/29/47/30/378294730.db2.gz IAKPGMQBCBUZGD-UHFFFAOYSA-N -1 3 298.327 3.372 20 0 CGADHM c1coc(-c2cc(-c3nc(Cc4cccs4)no3)[n-]n2)c1 ZINC000345483174 378294734 /nfs/dbraw/zinc/29/47/34/378294734.db2.gz IAKPGMQBCBUZGD-UHFFFAOYSA-N -1 3 298.327 3.372 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2cc(C)c3ccccc3n2)n1 ZINC000345918418 378408188 /nfs/dbraw/zinc/40/81/88/378408188.db2.gz AHTJUTBRTHQNAH-UHFFFAOYSA-N -1 3 293.326 3.205 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2cc(Cl)ccc2C)n1 ZINC000345919398 378408430 /nfs/dbraw/zinc/40/84/30/378408430.db2.gz BSEZPEYRPIWSNZ-UHFFFAOYSA-N -1 3 276.723 3.310 20 0 CGADHM COc1cccc(NC(=O)c2cc([O-])ccc2Cl)c1O ZINC000345846590 378385901 /nfs/dbraw/zinc/38/59/01/378385901.db2.gz ZPWLOKGCKPCIQR-UHFFFAOYSA-N -1 3 293.706 3.012 20 0 CGADHM Cc1ccc([O-])c(NC(=O)[C@H]2CCCc3ccccc32)n1 ZINC000345976390 378426818 /nfs/dbraw/zinc/42/68/18/378426818.db2.gz HBBBNYYYORQXHP-AWEZNQCLSA-N -1 3 282.343 3.154 20 0 CGADHM C[C@H]([N-]C(=O)C(C)(Cl)Cl)c1c(F)cccc1F ZINC000271927860 378519482 /nfs/dbraw/zinc/51/94/82/378519482.db2.gz GZKXIZMPADHUNT-LURJTMIESA-N -1 3 282.117 3.336 20 0 CGADHM CC(C)c1coc([N-]C(=O)c2occc2Br)n1 ZINC000637636127 378549316 /nfs/dbraw/zinc/54/93/16/378549316.db2.gz PPLDZSRYDXLVFE-UHFFFAOYSA-N -1 3 299.124 3.406 20 0 CGADHM Cc1cc(C(=O)NC[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)ccc1[O-] ZINC000272357884 378620491 /nfs/dbraw/zinc/62/04/91/378620491.db2.gz BBZWMAYHNPLQEB-JZXOWHBKSA-N -1 3 293.366 3.016 20 0 CGADHM COc1cccc(CCCNC(=O)c2ccc([O-])c(C)c2)c1 ZINC000272539995 378662103 /nfs/dbraw/zinc/66/21/03/378662103.db2.gz XVXCJWBJKWHFMY-UHFFFAOYSA-N -1 3 299.370 3.072 20 0 CGADHM CC[C@H](c1ccncc1)N(CC)C(=O)c1cccc([O-])c1 ZINC000272551717 378663854 /nfs/dbraw/zinc/66/38/54/378663854.db2.gz AWGNSSMQNDGKFF-MRXNPFEDSA-N -1 3 284.359 3.401 20 0 CGADHM Cc1cc(C(=O)NC[C@H](c2cccnc2)C(C)C)ccc1[O-] ZINC000272643386 378682611 /nfs/dbraw/zinc/68/26/11/378682611.db2.gz LXFWTIJTGLNGIA-INIZCTEOSA-N -1 3 298.386 3.265 20 0 CGADHM Cc1cc(C(=O)N[C@@H]2CCO[C@@H](C(C)(C)C)C2)ccc1[O-] ZINC000272695478 378690791 /nfs/dbraw/zinc/69/07/91/378690791.db2.gz VDWYACBQJCULDF-UKRRQHHQSA-N -1 3 291.391 3.024 20 0 CGADHM Cc1ncc(CN[C@H]2CCCCc3ccccc32)c(=O)[n-]1 ZINC000346807796 378690808 /nfs/dbraw/zinc/69/08/08/378690808.db2.gz MITDZAGKSWZCAP-INIZCTEOSA-N -1 3 283.375 3.048 20 0 CGADHM O=C(c1cccc([O-])c1)N(CCC(F)(F)F)CC1CC1 ZINC000272725989 378695778 /nfs/dbraw/zinc/69/57/78/378695778.db2.gz ISHSRSPIMMSNCX-UHFFFAOYSA-N -1 3 287.281 3.197 20 0 CGADHM Cc1ccc(NC(=O)c2cccc3ccc(=O)[nH]c32)c([O-])c1 ZINC000347972691 378743227 /nfs/dbraw/zinc/74/32/27/378743227.db2.gz YMWNPPKEZJBXAR-UHFFFAOYSA-N -1 3 294.310 3.207 20 0 CGADHM C[C@@H]1CCN(C(=O)c2cc(=O)c3ccccc3[n-]2)CC1(C)C ZINC000274237121 378796177 /nfs/dbraw/zinc/79/61/77/378796177.db2.gz QUNLFKIHYFYRBY-GFCCVEGCSA-N -1 3 298.386 3.449 20 0 CGADHM CSc1ccc(NCc2c(F)ccc([O-])c2F)cn1 ZINC000566611751 322131347 /nfs/dbraw/zinc/13/13/47/322131347.db2.gz UIMWGBPPEQWSIN-UHFFFAOYSA-N -1 3 282.315 3.399 20 0 CGADHM Cc1cc([C@@H](C)NCc2cnc(C)[n-]c2=O)c(C)s1 ZINC000346802936 218019195 /nfs/dbraw/zinc/01/91/95/218019195.db2.gz UXTINEVONVRDKR-SECBINFHSA-N -1 3 277.393 3.020 20 0 CGADHM CC[C@@H](C)OCC(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000274374810 378822163 /nfs/dbraw/zinc/82/21/63/378822163.db2.gz LFUOHEVDVUEJHM-VXGBXAGGSA-N -1 3 277.364 3.048 20 0 CGADHM CCC[C@@H](C)[C@H]1CCCN1C(=O)c1ccc([O-])c(OC)c1 ZINC000276976674 379034824 /nfs/dbraw/zinc/03/48/24/379034824.db2.gz 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/nfs/dbraw/zinc/04/16/89/380041689.db2.gz GIWMHUMHKHNHQO-GFCCVEGCSA-N -1 3 299.361 3.309 20 0 CGADHM Cc1cc(OCc2ccc(F)cc2)cc2occ([O-])c21 ZINC000642609909 380181164 /nfs/dbraw/zinc/18/11/64/380181164.db2.gz CJYSIRRSKATWSZ-UHFFFAOYSA-N -1 3 272.275 3.288 20 0 CGADHM Cc1ccc([O-])c(CN2C[C@@H](C)[C@H]2c2ccccc2)n1 ZINC000354043594 380296463 /nfs/dbraw/zinc/29/64/63/380296463.db2.gz AFVRGVDVVITYQE-PXAZEXFGSA-N -1 3 268.360 3.289 20 0 CGADHM CCc1ccc([O-])c(C(=O)N(C)Cc2ccc(C)o2)c1 ZINC000354139144 380341984 /nfs/dbraw/zinc/34/19/84/380341984.db2.gz PFCXYSWIZSBNGK-UHFFFAOYSA-N -1 3 273.332 3.128 20 0 CGADHM NC1(c2noc(-c3cc4c(cc3[O-])CCCC4)n2)CCCC1 ZINC000414630284 380345625 /nfs/dbraw/zinc/34/56/25/380345625.db2.gz SXHICPJMOWINSI-UHFFFAOYSA-N -1 3 299.374 3.049 20 0 CGADHM Cc1ccc(NCc2cc(=O)[n-]c(C3CC3)n2)c(F)c1 ZINC000416980017 380557236 /nfs/dbraw/zinc/55/72/36/380557236.db2.gz AWRQRCJWUNTHAJ-UHFFFAOYSA-N -1 3 273.311 3.119 20 0 CGADHM C[C@@H]1CC[C@](CNCc2ccc(Cl)o2)(CC(=O)[O-])C1 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CCN(Cc1ccoc1)C(=O)c1cc(SC)ccc1[O-] ZINC000667916065 542944991 /nfs/dbraw/zinc/94/49/91/542944991.db2.gz WPAJLCKNNVCHTA-UHFFFAOYSA-N -1 3 291.372 3.369 20 0 CGADHM C[C@@H]1[C@H](C)OCCN1Cc1cc([O-])cc(C(F)(F)F)c1 ZINC000356128873 289021696 /nfs/dbraw/zinc/02/16/96/289021696.db2.gz ZCORTNATVGKYCF-ZJUUUORDSA-N -1 3 289.297 3.020 20 0 CGADHM CC[C@@H](C)N(Cc1ccccc1)C(=O)Cc1cncc([O-])c1 ZINC000668260663 542999388 /nfs/dbraw/zinc/99/93/88/542999388.db2.gz SVZKAXMEPROJBX-CQSZACIVSA-N -1 3 298.386 3.157 20 0 CGADHM Cc1ccc(C(=O)N2C[C@@H](C)Oc3ccccc32)c([O-])c1C ZINC000436541505 292066815 /nfs/dbraw/zinc/06/68/15/292066815.db2.gz XXFOFADSMHEDIQ-GFCCVEGCSA-N -1 3 297.354 3.437 20 0 CGADHM Cc1oc(C)c(C(=O)Nc2c(C)cccc2[O-])c1C ZINC000670816886 543159074 /nfs/dbraw/zinc/15/90/74/543159074.db2.gz POCFAAXRFLKTHO-UHFFFAOYSA-N -1 3 259.305 3.471 20 0 CGADHM O=C(Nc1ncccc1[O-])c1ccc(C(F)(F)F)s1 ZINC000671793817 543191458 /nfs/dbraw/zinc/19/14/58/543191458.db2.gz ILPGETMKNIYWPQ-UHFFFAOYSA-N -1 3 288.250 3.120 20 0 CGADHM Cc1ccc(C(=O)N2CC[C@@H]3[C@H]2[C@H]3C(F)(F)F)c([O-])c1C ZINC000673949661 543260734 /nfs/dbraw/zinc/26/07/34/543260734.db2.gz SSBCBAZAQDRKDO-DLOVCJGASA-N -1 3 299.292 3.032 20 0 CGADHM Cc1cccc(S(=O)(=O)[N-]c2ccc(C)cc2C)c1 ZINC000047215472 397630842 /nfs/dbraw/zinc/63/08/42/397630842.db2.gz KJCHHJBLWHPGAZ-UHFFFAOYSA-N -1 3 275.373 3.413 20 0 CGADHM Cc1ccc([N-]S(=O)(=O)CCc2ccccc2)c(F)c1 ZINC000047992186 397635752 /nfs/dbraw/zinc/63/57/52/397635752.db2.gz SARBOHRGOXSDBX-UHFFFAOYSA-N -1 3 293.363 3.119 20 0 CGADHM CC(C)(C)[C@@H]1CCCN(Cc2ccc(C(=O)[O-])cn2)CC1 ZINC000094762873 397641980 /nfs/dbraw/zinc/64/19/80/397641980.db2.gz BQLBJJLDPCFKHK-CQSZACIVSA-N -1 3 290.407 3.428 20 0 CGADHM CC1(C)CN(C(=O)CCc2ccc3ccccc3c2[O-])C1 ZINC000649832820 397732059 /nfs/dbraw/zinc/73/20/59/397732059.db2.gz NOMFKHAKSVFHPV-UHFFFAOYSA-N -1 3 283.371 3.346 20 0 CGADHM C[C@@H](C(=O)[O-])C1(NCc2cccc(Cl)c2Cl)CC1 ZINC000649508663 397715677 /nfs/dbraw/zinc/71/56/77/397715677.db2.gz ADCCRCLAEAZJMO-QMMMGPOBSA-N -1 3 288.174 3.336 20 0 CGADHM O=C(CCc1ccc2ccccc2c1[O-])N1CCC[C@H]2C[C@H]21 ZINC000650075039 397777583 /nfs/dbraw/zinc/77/75/83/397777583.db2.gz UBXWIBCDMCNHHU-DOTOQJQBSA-N -1 3 295.382 3.489 20 0 CGADHM CCc1cc(=O)[n-]c(-c2ccc(N3C[C@@H](C)C[C@H]3C)nc2)n1 ZINC000674931973 543307658 /nfs/dbraw/zinc/30/76/58/543307658.db2.gz BXRXYGGCXNHQJP-NWDGAFQWSA-N -1 3 298.390 3.041 20 0 CGADHM Cc1cccc(C(=O)NCC(C)(C)[C@H]2CCCCO2)c1[O-] ZINC000675220099 543322162 /nfs/dbraw/zinc/32/21/62/543322162.db2.gz BGYRXWFEDQDUOO-CQSZACIVSA-N -1 3 291.391 3.026 20 0 CGADHM O=C([N-]c1cnc(-c2ccccc2)s1)c1cnco1 ZINC000678170771 543490698 /nfs/dbraw/zinc/49/06/98/543490698.db2.gz OHSLYOBQFVSUGI-UHFFFAOYSA-N -1 3 271.301 3.050 20 0 CGADHM COCCN(C(=O)c1ccc(C)c(C)c1[O-])C1CCCC1 ZINC000678309817 543513393 /nfs/dbraw/zinc/51/33/93/543513393.db2.gz UTGXHFOJJDMLPL-UHFFFAOYSA-N -1 3 291.391 3.040 20 0 CGADHM Cc1ccc2[n-]cc(C(=O)N3C[C@@H](C)CC[C@@H]3C)c(=O)c2c1 ZINC000342059970 292301701 /nfs/dbraw/zinc/30/17/01/292301701.db2.gz JQFKHAYBEDSRDS-STQMWFEESA-N -1 3 298.386 3.097 20 0 CGADHM Cc1ccsc1CN(C)C(=O)c1ccc(C)cc1[O-] ZINC000069694776 286984641 /nfs/dbraw/zinc/98/46/41/286984641.db2.gz KWAXNEBOQWQEMU-UHFFFAOYSA-N -1 3 275.373 3.343 20 0 CGADHM O=C(Nc1ccccc1F)c1c[n-]nc1-c1ccccc1 ZINC000071008225 165065000 /nfs/dbraw/zinc/06/50/00/165065000.db2.gz RMGBJWABTWPAOR-UHFFFAOYSA-N -1 3 281.290 3.468 20 0 CGADHM O=C(Nc1ccccc1[O-])c1cc(-c2ccccc2)no1 ZINC000071891628 165071445 /nfs/dbraw/zinc/07/14/45/165071445.db2.gz JVGJANREWLNYME-UHFFFAOYSA-N -1 3 280.283 3.300 20 0 CGADHM Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)c1ccc(C)cc1[O-] ZINC000091079964 165254066 /nfs/dbraw/zinc/25/40/66/165254066.db2.gz GMNQQTVKAIKOCR-CQSZACIVSA-N -1 3 299.374 3.018 20 0 CGADHM Cc1ccc([O-])c(CNc2ccc(Br)cc2)n1 ZINC000091993511 165278362 /nfs/dbraw/zinc/27/83/62/165278362.db2.gz VLGAPQRMCVUKHJ-UHFFFAOYSA-N -1 3 293.164 3.470 20 0 CGADHM O=C(Nc1ccc([O-])cc1F)[C@@H]1CSc2ccccc21 ZINC000092238520 165286494 /nfs/dbraw/zinc/28/64/94/165286494.db2.gz XQGWYGOLFGIQCH-LLVKDONJSA-N -1 3 289.331 3.359 20 0 CGADHM Cc1ccc(CN(C)Cc2nc(C)ccc2[O-])s1 ZINC000093049269 165321511 /nfs/dbraw/zinc/32/15/11/165321511.db2.gz SYICCVLQKBVNOI-UHFFFAOYSA-N -1 3 262.378 3.098 20 0 CGADHM COc1cccc(-c2nc(CCc3ccccc3)no2)c1[O-] ZINC000109037664 287127479 /nfs/dbraw/zinc/12/74/79/287127479.db2.gz LGZCUROFERTAHS-UHFFFAOYSA-N -1 3 296.326 3.236 20 0 CGADHM Cc1ccc(-c2nc(-c3ccccc3)no2)c([O-])c1 ZINC000111687271 287135928 /nfs/dbraw/zinc/13/59/28/287135928.db2.gz LAIADDBNZGEJEY-UHFFFAOYSA-N -1 3 252.273 3.418 20 0 CGADHM Cc1nc(Cc2noc(-c3cccc(C)c3[O-])n2)cs1 ZINC000111688473 287136278 /nfs/dbraw/zinc/13/62/78/287136278.db2.gz JZWNPXYQAQIILB-UHFFFAOYSA-N -1 3 287.344 3.106 20 0 CGADHM Cc1cc(C(=O)N[C@@H](C)CCc2ccccc2)ccc1[O-] ZINC000114428326 287151233 /nfs/dbraw/zinc/15/12/33/287151233.db2.gz AKLHDLJCLDTLGX-AWEZNQCLSA-N -1 3 283.371 3.452 20 0 CGADHM O=C(CCC1CCCCC1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000121091496 287192552 /nfs/dbraw/zinc/19/25/52/287192552.db2.gz BCVPTVQEBZAPIF-UHFFFAOYSA-N -1 3 299.378 3.166 20 0 CGADHM O=C(CCC1CCCCC1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000121091496 287192558 /nfs/dbraw/zinc/19/25/58/287192558.db2.gz BCVPTVQEBZAPIF-UHFFFAOYSA-N -1 3 299.378 3.166 20 0 CGADHM COc1cccc(C(=O)Nc2ccc3[nH]c(C)cc3c2)c1[O-] ZINC000121131344 287193606 /nfs/dbraw/zinc/19/36/06/287193606.db2.gz KIPXWPCISGMDBR-UHFFFAOYSA-N -1 3 296.326 3.443 20 0 CGADHM C[C@H](c1ccccc1Cl)N1CCC[C@H](C(=O)[O-])C1 ZINC000006932297 170256270 /nfs/dbraw/zinc/25/62/70/170256270.db2.gz ATRCVRPLNXNHJD-MNOVXSKESA-N -1 3 267.756 3.198 20 0 CGADHM O=C1[N-]C(=O)C(=Cc2ccc(-c3ccccc3F)o2)S1 ZINC000008207213 170324509 /nfs/dbraw/zinc/32/45/09/170324509.db2.gz MXGFJLBMPZXDJO-GHXNOFRVSA-N -1 3 289.287 3.410 20 0 CGADHM C[C@@H](NC(=O)c1c([O-])cccc1O)c1ccc(Cl)cc1 ZINC000125553736 287246883 /nfs/dbraw/zinc/24/68/83/287246883.db2.gz JBCMPPKSVAJWLW-SECBINFHSA-N -1 3 291.734 3.242 20 0 CGADHM O=C([O-])CC1CCN(Cc2ccccc2Cl)CC1 ZINC000020495005 171226800 /nfs/dbraw/zinc/22/68/00/171226800.db2.gz ZDTUPHDFARXRMY-UHFFFAOYSA-N -1 3 267.756 3.027 20 0 CGADHM COc1ccc(C(=O)N2CCC[C@@H]3CCCC[C@H]32)c([O-])c1 ZINC000035219416 172060684 /nfs/dbraw/zinc/06/06/84/172060684.db2.gz BNAXDSTWRPHUPU-SWLSCSKDSA-N -1 3 289.375 3.196 20 0 CGADHM O=C(Nc1cc(Br)ccc1[O-])[C@H]1C[C@H]1C1CC1 ZINC000126542069 287267302 /nfs/dbraw/zinc/26/73/02/287267302.db2.gz XFYJXWUZBFIFTL-UWVGGRQHSA-N -1 3 296.164 3.139 20 0 CGADHM O=C(Nc1cc(Br)ccc1[O-])[C@@H]1C[C@@H]1C1CC1 ZINC000126541346 287267308 /nfs/dbraw/zinc/26/73/08/287267308.db2.gz XFYJXWUZBFIFTL-NXEZZACHSA-N -1 3 296.164 3.139 20 0 CGADHM CN(C(=O)c1cc([O-])ccc1C(F)(F)F)C1CCC1 ZINC000285588137 196336067 /nfs/dbraw/zinc/33/60/67/196336067.db2.gz JDEMGJYCUYHFBF-UHFFFAOYSA-N -1 3 273.254 3.036 20 0 CGADHM CC[C@@H]1C[C@@H](C)CN1C(=O)c1ccc(C)c(C)c1[O-] ZINC000436590331 287279049 /nfs/dbraw/zinc/27/90/49/287279049.db2.gz SLEYLYJNQYYWOB-ZWNOBZJWSA-N -1 3 261.365 3.270 20 0 CGADHM CCCc1csc(NC(=O)c2cccc(OC)c2[O-])n1 ZINC000127330332 287285808 /nfs/dbraw/zinc/28/58/08/287285808.db2.gz IAEMLFGFSGWADQ-UHFFFAOYSA-N -1 3 292.360 3.062 20 0 CGADHM O=C(Nc1ccccc1[O-])c1cc(F)c(F)c(F)c1 ZINC000127506496 287289216 /nfs/dbraw/zinc/28/92/16/287289216.db2.gz ZEFJLZYUZSOQMM-UHFFFAOYSA-N -1 3 267.206 3.062 20 0 CGADHM O=C(Nc1cccc([O-])c1F)c1cccc(Cl)c1 ZINC000128274119 287307750 /nfs/dbraw/zinc/30/77/50/287307750.db2.gz QPVARJMLLOGSQA-UHFFFAOYSA-N -1 3 265.671 3.437 20 0 CGADHM Cc1cccc(C(=O)Nc2cccc([O-])c2F)c1C ZINC000128320863 287308610 /nfs/dbraw/zinc/30/86/10/287308610.db2.gz XBVCNYFAHWPGIV-UHFFFAOYSA-N -1 3 259.280 3.400 20 0 CGADHM Cc1cc(C(=O)Nc2ncccc2[O-])ccc1Cl ZINC000128657625 287315752 /nfs/dbraw/zinc/31/57/52/287315752.db2.gz JUJKRLKRHPXOFD-UHFFFAOYSA-N -1 3 262.696 3.001 20 0 CGADHM C[C@H](COc1ccccc1)C(=O)Nc1cccc([O-])c1F ZINC000128691035 287316353 /nfs/dbraw/zinc/31/63/53/287316353.db2.gz HSTGOKYXDFOINU-LLVKDONJSA-N -1 3 289.306 3.185 20 0 CGADHM C[C@]1(C(=O)[O-])CCCN(Cc2cccc(Cl)c2)C1 ZINC000062876794 416487184 /nfs/dbraw/zinc/48/71/84/416487184.db2.gz YNPOZWMDCPURQN-AWEZNQCLSA-N -1 3 267.756 3.027 20 0 CGADHM [O-]c1cccc(CNCCCC2CC2)c1Br ZINC000315034626 416537310 /nfs/dbraw/zinc/53/73/10/416537310.db2.gz OMWAMVPKAJKHNF-UHFFFAOYSA-N -1 3 284.197 3.435 20 0 CGADHM Cc1ccc(O[C@H](C)C(=O)Nc2cccc([O-])c2F)cc1 ZINC000129653879 287337124 /nfs/dbraw/zinc/33/71/24/287337124.db2.gz OVMFNNAVOZHMNK-LLVKDONJSA-N -1 3 289.306 3.246 20 0 CGADHM CCc1ccc(CC(=O)Nc2cccc([O-])c2F)cc1 ZINC000129580486 287335084 /nfs/dbraw/zinc/33/50/84/287335084.db2.gz YFXOHOGHEZUGGA-UHFFFAOYSA-N -1 3 273.307 3.275 20 0 CGADHM CC(C)c1ccc(C(=O)N2CC[C@H](C)[C@H](F)C2)c([O-])c1 ZINC000679263004 543610535 /nfs/dbraw/zinc/61/05/35/543610535.db2.gz WUKPOTLXMVICPE-SMDDNHRTSA-N -1 3 279.355 3.336 20 0 CGADHM Cc1cc(C(=O)NC2CCC(OC(C)C)CC2)ccc1[O-] ZINC000679412141 543636049 /nfs/dbraw/zinc/63/60/49/543636049.db2.gz JMMCGEIJIPCACK-UHFFFAOYSA-N -1 3 291.391 3.167 20 0 CGADHM COc1ccc(C(=O)Nc2nc(C)ccc2[O-])c(Cl)c1 ZINC000680321148 543696779 /nfs/dbraw/zinc/69/67/79/543696779.db2.gz KJCKMRBHRCEEQI-UHFFFAOYSA-N -1 3 292.722 3.010 20 0 CGADHM O=C(Nc1ccc([O-])cc1F)c1cc2ccsc2[nH]1 ZINC000681337671 543782501 /nfs/dbraw/zinc/78/25/01/543782501.db2.gz PCHNQSWMQYIQNC-UHFFFAOYSA-N -1 3 276.292 3.326 20 0 CGADHM CCC(C)(CC)C(=O)Nc1ccc(OC)cc1[O-] ZINC000682388094 543839959 /nfs/dbraw/zinc/83/99/59/543839959.db2.gz LDIHZDGZIPKAAH-UHFFFAOYSA-N -1 3 251.326 3.166 20 0 CGADHM CCc1ccc(C(=O)NCc2ccc(Cl)o2)c([O-])c1 ZINC000682455822 543847465 /nfs/dbraw/zinc/84/74/65/543847465.db2.gz RONNMNZQRSHHGN-UHFFFAOYSA-N -1 3 279.723 3.131 20 0 CGADHM CC(C)[C@H]([N-]C(=O)C1(C(F)(F)F)CC1)C(F)(F)F ZINC000682569486 543852707 /nfs/dbraw/zinc/85/27/07/543852707.db2.gz UKIXEPWFMPOCGG-LURJTMIESA-N -1 3 277.208 3.032 20 0 CGADHM Cc1ccc(C(=O)NC2(C(F)F)CCCC2)c([O-])c1 ZINC000685279957 544059465 /nfs/dbraw/zinc/05/94/65/544059465.db2.gz ZTJXVYGCMXNKOZ-UHFFFAOYSA-N -1 3 269.291 3.008 20 0 CGADHM CCc1noc(C)c1[N-]C(=O)c1cc(F)cc(F)c1 ZINC000132640044 287407953 /nfs/dbraw/zinc/40/79/53/287407953.db2.gz YDWRHCRDIYUZMB-UHFFFAOYSA-N -1 3 266.247 3.076 20 0 CGADHM C[C@H](C(=O)NCc1ccc([O-])c(F)c1)c1ccccc1F ZINC000133093112 287416737 /nfs/dbraw/zinc/41/67/37/287416737.db2.gz VKGHPWFOQVSQTI-JTQLQIEISA-N -1 3 291.297 3.090 20 0 CGADHM Cc1cc([O-])c2nc(/C=C/c3ccnn3C)ccc2c1 ZINC000191377623 226787324 /nfs/dbraw/zinc/78/73/24/226787324.db2.gz BYVGGJFPSXTTOE-AATRIKPKSA-N -1 3 265.316 3.153 20 0 CGADHM Cc1cncc(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)c1 ZINC000134220952 287438208 /nfs/dbraw/zinc/43/82/08/287438208.db2.gz RLCAGHHHGDQGFB-UHFFFAOYSA-N -1 3 296.248 3.367 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)N[C@H](C)c2ccc(C)c(F)c2)n1 ZINC000192762308 227282195 /nfs/dbraw/zinc/28/21/95/227282195.db2.gz FWJCPTMDPLZCIL-VXGBXAGGSA-N -1 3 289.354 3.350 20 0 CGADHM C[C@@H]1CC[C@H](C)N1CCOc1ccc(C(=O)[O-])cc1Cl ZINC000652440758 418968380 /nfs/dbraw/zinc/96/83/80/418968380.db2.gz ZLZZYTLHUFLGFR-PHIMTYICSA-N -1 3 297.782 3.290 20 0 CGADHM COc1cc(Cl)ccc1CN(CCC(=O)[O-])C(C)C ZINC000652478537 418972634 /nfs/dbraw/zinc/97/26/34/418972634.db2.gz IXYTUBAORPBTFO-UHFFFAOYSA-N -1 3 285.771 3.034 20 0 CGADHM O=C([O-])[C@H]1CC12CCN(CCc1ccccc1Cl)CC2 ZINC000652479686 418973942 /nfs/dbraw/zinc/97/39/42/418973942.db2.gz XVWWSVJWBQXLLE-CYBMUJFWSA-N -1 3 293.794 3.069 20 0 CGADHM CCc1oc(C(=O)[O-])cc1CN(C)CCC(C)C ZINC000652388615 418960438 /nfs/dbraw/zinc/96/04/38/418960438.db2.gz LBGJBEWGYQYYJG-UHFFFAOYSA-N -1 3 253.342 3.018 20 0 CGADHM CC1CCC(N(Cc2nc(C(=O)[O-])cs2)C2CC2)CC1 ZINC000652396619 418961118 /nfs/dbraw/zinc/96/11/18/418961118.db2.gz KCCMWCGDEUVIJC-UHFFFAOYSA-N -1 3 294.420 3.384 20 0 CGADHM CN(CCC1CCCCC1)Cc1ccc(C(=O)[O-])o1 ZINC000652406764 418963229 /nfs/dbraw/zinc/96/32/29/418963229.db2.gz XCOCNRCKLLBGPH-UHFFFAOYSA-N -1 3 265.353 3.380 20 0 CGADHM Cc1oc([C@H](C)N2CCC(C)(C)C2)cc1C(=O)[O-] ZINC000652412299 418964425 /nfs/dbraw/zinc/96/44/25/418964425.db2.gz HTFHPROHOHPGHS-VIFPVBQESA-N -1 3 251.326 3.079 20 0 CGADHM CCO[C@H](CC)c1noc(-c2n[n-]nc2-c2ccccc2)n1 ZINC000665041484 419044070 /nfs/dbraw/zinc/04/40/70/419044070.db2.gz SSCNDRDDFMOTRL-LLVKDONJSA-N -1 3 299.334 3.009 20 0 CGADHM C[C@H]1CCCN1[C@@H](C(=O)[O-])c1ccccc1Br ZINC000659787899 418989631 /nfs/dbraw/zinc/98/96/31/418989631.db2.gz SKLXJOISBSPLMF-JOYOIKCWSA-N -1 3 298.180 3.059 20 0 CGADHM CC(C)=CCCN(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC000659787546 418989715 /nfs/dbraw/zinc/98/97/15/418989715.db2.gz CCKVKCYOOKGOBX-UHFFFAOYSA-N -1 3 251.326 3.074 20 0 CGADHM CCc1noc(C)c1CN(CC)C1CCC(C(=O)[O-])CC1 ZINC000659792006 418992354 /nfs/dbraw/zinc/99/23/54/418992354.db2.gz QUVDAFHGKUQZBK-UHFFFAOYSA-N -1 3 294.395 3.011 20 0 CGADHM Cc1cccc(Cl)c1CN1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000659801412 418994829 /nfs/dbraw/zinc/99/48/29/418994829.db2.gz XGFNHLMBWHHYSB-NEPJUHHUSA-N -1 3 281.783 3.191 20 0 CGADHM Cc1oc(C(=O)[O-])cc1CN(C)C[C@@H]1CCc2ccccc21 ZINC000659804565 418996905 /nfs/dbraw/zinc/99/69/05/418996905.db2.gz ZPVCHKOPCJHHHN-AWEZNQCLSA-N -1 3 299.370 3.448 20 0 CGADHM CN(Cc1ccoc1C(=O)[O-])C[C@H]1CCc2ccccc21 ZINC000659804479 418997382 /nfs/dbraw/zinc/99/73/82/418997382.db2.gz XWFJFVIBJHCEQB-CYBMUJFWSA-N -1 3 285.343 3.140 20 0 CGADHM CC(C)c1cc(C(=O)[N-]c2nc(C(F)(F)F)co2)on1 ZINC000653840773 419094112 /nfs/dbraw/zinc/09/41/12/419094112.db2.gz CFQBYYPSNCBGQF-UHFFFAOYSA-N -1 3 289.213 3.057 20 0 CGADHM CC(C)(C)c1cnc(CNC[C@@H](C(=O)[O-])C2CCC2)s1 ZINC000665358304 419117096 /nfs/dbraw/zinc/11/70/96/419117096.db2.gz CHCBBEOONNHXRA-LLVKDONJSA-N -1 3 296.436 3.031 20 0 CGADHM Cc1ccc(NC(=O)[C@@H]2COC[C@@H]2c2ccccc2)c([O-])c1 ZINC000665202448 419079707 /nfs/dbraw/zinc/07/97/07/419079707.db2.gz DCFFQEYZPZNPAX-HUUCEWRRSA-N -1 3 297.354 3.069 20 0 CGADHM CC(C)n1nccc1C=Cc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000656106261 419141471 /nfs/dbraw/zinc/14/14/71/419141471.db2.gz UNUAGPDYCAGMDN-ARJAWSKDSA-N -1 3 298.268 3.149 20 0 CGADHM CCc1ccc(C(=O)N2CC[C@H](C3CCC3)C2)c([O-])c1 ZINC000665684266 419150264 /nfs/dbraw/zinc/15/02/64/419150264.db2.gz QJNZKKQOSLRJLB-AWEZNQCLSA-N -1 3 273.376 3.217 20 0 CGADHM CC1(C)[C@H](CCC(=O)[O-])C[C@@H]1NCc1c(F)cccc1F ZINC000656569013 419184148 /nfs/dbraw/zinc/18/41/48/419184148.db2.gz VKYLWWFZYQBNKD-YGRLFVJLSA-N -1 3 297.345 3.334 20 0 CGADHM COc1ccc(C(C)C)cc1CN([C@@H](C)C(=O)[O-])C1CC1 ZINC000655929682 419128071 /nfs/dbraw/zinc/12/80/71/419128071.db2.gz VJRQLRHOQQWYHV-LBPRGKRZSA-N -1 3 291.391 3.256 20 0 CGADHM COc1cccc(CN2CCCC[C@@H]2CC(=O)[O-])c1Cl ZINC000656756237 419209601 /nfs/dbraw/zinc/20/96/01/419209601.db2.gz JCXVNSFZMWJHPE-GFCCVEGCSA-N -1 3 297.782 3.178 20 0 CGADHM O=C([O-])[C@@H]1CCN([C@@H]2C=CCCC2)[C@H]2CCCC[C@H]12 ZINC000656764955 419212057 /nfs/dbraw/zinc/21/20/57/419212057.db2.gz LVUFCVXMNDDBRR-TUVASFSCSA-N -1 3 263.381 3.060 20 0 CGADHM Cc1cnc(-c2nc(=O)c3c(C(C)C)csc3[n-]2)cn1 ZINC000663218836 419523389 /nfs/dbraw/zinc/52/33/89/419523389.db2.gz JAQRCKXHVZGJRP-UHFFFAOYSA-N -1 3 286.360 3.286 20 0 CGADHM CCc1oc(C(=O)[O-])cc1CN(C)C[C@@H]1CC1(C)C ZINC000663316071 419553297 /nfs/dbraw/zinc/55/32/97/419553297.db2.gz AJBALIXDCREZNM-NSHDSACASA-N -1 3 265.353 3.018 20 0 CGADHM Cc1cc([C@H](C)NC(=O)c2cc(C)ccc2[O-])c(C)o1 ZINC000044731482 270037605 /nfs/dbraw/zinc/03/76/05/270037605.db2.gz MGGNMAKWBAFBIW-NSHDSACASA-N -1 3 273.332 3.401 20 0 CGADHM Cn1c2cccc(F)c2nc1-c1cc([O-])cc(F)c1 ZINC000184587882 270059262 /nfs/dbraw/zinc/05/92/62/270059262.db2.gz CZBPEJFQXYLZGD-UHFFFAOYSA-N -1 3 260.243 3.224 20 0 CGADHM Cc1ccc2c(c1)C(=O)N(C)[C@@H](c1cc([O-])cc(F)c1)N2 ZINC000184610259 270059323 /nfs/dbraw/zinc/05/93/23/270059323.db2.gz ZNZVOCQEJMICNU-HNNXBMFYSA-N -1 3 286.306 3.036 20 0 CGADHM [O-]c1cc(F)cc(CNCc2ccc(-n3cccn3)cc2)c1 ZINC000185468094 270062891 /nfs/dbraw/zinc/06/28/91/270062891.db2.gz RAQNNGIEUNXNPQ-UHFFFAOYSA-N -1 3 297.333 3.007 20 0 CGADHM O=C(Nc1ccc([O-])cc1F)c1csc(Cl)c1 ZINC000189355724 270071421 /nfs/dbraw/zinc/07/14/21/270071421.db2.gz LNIXZSXMPAIRAT-UHFFFAOYSA-N -1 3 271.700 3.499 20 0 CGADHM [O-]c1ccccc1-c1nc([C@H]2CCOc3ccccc32)no1 ZINC000316499706 270093115 /nfs/dbraw/zinc/09/31/15/270093115.db2.gz KVZZKHOPZTWMRM-LBPRGKRZSA-N -1 3 294.310 3.357 20 0 CGADHM [O-]c1cccc(CNCCc2ccccc2)c1Cl ZINC000328483019 270095119 /nfs/dbraw/zinc/09/51/19/270095119.db2.gz QHKFIZSIBPCXJV-UHFFFAOYSA-N -1 3 261.752 3.378 20 0 CGADHM Cc1ccsc1C(=O)N=c1[nH][n-]c(C)c1-c1ccccc1 ZINC000522168320 270105170 /nfs/dbraw/zinc/10/51/70/270105170.db2.gz PRTXPDWUHFBKCV-UHFFFAOYSA-N -1 3 297.383 3.429 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2nc(C)c(C)s2)c1 ZINC000522815815 270107186 /nfs/dbraw/zinc/10/71/86/270107186.db2.gz QYAWHBKSUJLSJG-UHFFFAOYSA-N -1 3 276.361 3.280 20 0 CGADHM COc1ccc([O-])c(C(=O)N[C@@H]2C[C@H]2C2CCCCC2)c1 ZINC000525258717 270118386 /nfs/dbraw/zinc/11/83/86/270118386.db2.gz MWQUNONTYATSOW-DZGCQCFKSA-N -1 3 289.375 3.099 20 0 CGADHM CCc1ccc(NC(=O)c2cccc3nn[n-]c32)cc1C ZINC000525871100 270120556 /nfs/dbraw/zinc/12/05/56/270120556.db2.gz HDQUBUMCKFNMMN-UHFFFAOYSA-N -1 3 280.331 3.081 20 0 CGADHM CCc1ccc(NC(=O)c2cccc3[n-]nnc32)cc1C ZINC000525871100 270120557 /nfs/dbraw/zinc/12/05/57/270120557.db2.gz HDQUBUMCKFNMMN-UHFFFAOYSA-N -1 3 280.331 3.081 20 0 CGADHM CCc1ccc(NC(=O)c2cccc3n[n-]nc32)cc1C ZINC000525871100 270120558 /nfs/dbraw/zinc/12/05/58/270120558.db2.gz HDQUBUMCKFNMMN-UHFFFAOYSA-N -1 3 280.331 3.081 20 0 CGADHM C[C@@]1(Br)C[C@@H]1c1nc(-c2ccc([O-])cc2)no1 ZINC000528156115 270156031 /nfs/dbraw/zinc/15/60/31/270156031.db2.gz MEBTZUQRIUKFIQ-BXKDBHETSA-N -1 3 295.136 3.083 20 0 CGADHM CC1(NC(=O)c2cc([O-])cc(Br)c2)CCCC1 ZINC000528201996 270157288 /nfs/dbraw/zinc/15/72/88/270157288.db2.gz SVNJFWMXYCQQCN-UHFFFAOYSA-N -1 3 298.180 3.217 20 0 CGADHM C[C@@H]1[C@@H](C(=O)Nc2cc(Cl)ccc2[O-])[C@H]1C1CC1 ZINC000528877499 270174981 /nfs/dbraw/zinc/17/49/81/270174981.db2.gz OZSOJKMZYZIXLL-HAGUPOPPSA-N -1 3 265.740 3.276 20 0 CGADHM C[C@@H]1[C@@H](C(=O)Nc2cc(Cl)ccc2[O-])[C@@H]1C1CC1 ZINC000528877503 270175129 /nfs/dbraw/zinc/17/51/29/270175129.db2.gz OZSOJKMZYZIXLL-WCDAPOTHSA-N -1 3 265.740 3.276 20 0 CGADHM C[C@H](CN(C)C(=O)c1ccc(O)cc1[O-])C1CCCCC1 ZINC000530038187 270193597 /nfs/dbraw/zinc/19/35/97/270193597.db2.gz KRXDPTFOAYFHNZ-GFCCVEGCSA-N -1 3 291.391 3.386 20 0 CGADHM CC1(C(=O)Nc2ccc(Br)cc2[O-])CCC1 ZINC000531414400 270206732 /nfs/dbraw/zinc/20/67/32/270206732.db2.gz VSCACQXTQOHWPD-UHFFFAOYSA-N -1 3 284.153 3.283 20 0 CGADHM CC[C@]1(C)C[C@@H]1C(=O)N=c1[nH][n-]c(C)c1-c1ccccc1 ZINC000532072087 270213285 /nfs/dbraw/zinc/21/32/85/270213285.db2.gz CAFJPVUBVNRQSL-CXAGYDPISA-N -1 3 283.375 3.182 20 0 CGADHM [O-]c1cc(F)cc(CN[C@H]2CCOc3ccc(F)cc32)c1 ZINC000274451896 275060673 /nfs/dbraw/zinc/06/06/73/275060673.db2.gz QXCYPEDZKONICI-HNNXBMFYSA-N -1 3 291.297 3.284 20 0 CGADHM Cc1cccc([O-])c1NC(=O)/C=C\c1cccc(F)c1 ZINC000254985383 287853304 /nfs/dbraw/zinc/85/33/04/287853304.db2.gz RFQDORCYVSPBQB-HJWRWDBZSA-N -1 3 271.291 3.492 20 0 CGADHM CO[C@H](CC(C)C)C(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000416205070 277326684 /nfs/dbraw/zinc/32/66/84/277326684.db2.gz REMUMEAPAFNFAL-IUODEOHRSA-N -1 3 291.391 3.294 20 0 CGADHM C[C@H]1CCN(C(=O)[C@H]2CC23CC3)c2c([O-])cccc21 ZINC000335006688 278361235 /nfs/dbraw/zinc/36/12/35/278361235.db2.gz RNDCGUDWKATYKF-CMPLNLGQSA-N -1 3 257.333 3.033 20 0 CGADHM C[C@]1(c2nc(-c3ccc([O-])cc3)no2)CC=CCC1 ZINC000453018504 278571157 /nfs/dbraw/zinc/57/11/57/278571157.db2.gz KTLYKZHDWABOHQ-HNNXBMFYSA-N -1 3 256.305 3.440 20 0 CGADHM C[C@H]1Cc2ccccc2[C@@H]1NCc1cccc(C(=O)[O-])c1 ZINC000414640857 288059539 /nfs/dbraw/zinc/05/95/39/288059539.db2.gz SGKQKZQRSBPQPU-YVEFUNNKSA-N -1 3 281.355 3.408 20 0 CGADHM C[C@@H]1Cc2ccccc2[C@@H]1NCc1cccc(C(=O)[O-])c1 ZINC000414640855 288059566 /nfs/dbraw/zinc/05/95/66/288059566.db2.gz SGKQKZQRSBPQPU-SJKOYZFVSA-N -1 3 281.355 3.408 20 0 CGADHM COc1ccc(C)cc1[N-]S(=O)(=O)CCC(C)(C)C ZINC000481443880 288110698 /nfs/dbraw/zinc/11/06/98/288110698.db2.gz FKSQCHZDNAXRKV-UHFFFAOYSA-N -1 3 285.409 3.182 20 0 CGADHM CC(C)CC(CC(C)C)NC(=O)c1cccc2nn[n-]c21 ZINC000526115344 288149513 /nfs/dbraw/zinc/14/95/13/288149513.db2.gz OFEZZWXNRGGSHR-UHFFFAOYSA-N -1 3 288.395 3.149 20 0 CGADHM CC(C)CC(CC(C)C)NC(=O)c1cccc2[n-]nnc21 ZINC000526115344 288149514 /nfs/dbraw/zinc/14/95/14/288149514.db2.gz OFEZZWXNRGGSHR-UHFFFAOYSA-N -1 3 288.395 3.149 20 0 CGADHM CC(C)CC(CC(C)C)NC(=O)c1cccc2n[n-]nc21 ZINC000526115344 288149517 /nfs/dbraw/zinc/14/95/17/288149517.db2.gz OFEZZWXNRGGSHR-UHFFFAOYSA-N -1 3 288.395 3.149 20 0 CGADHM CC[C@@H]1CC[C@H](C)N1C(=O)c1c[n-]c2c(C)cccc2c1=O ZINC000408349566 280334535 /nfs/dbraw/zinc/33/45/35/280334535.db2.gz RAFVEJRKCKZJJS-QWHCGFSZSA-N -1 3 298.386 3.240 20 0 CGADHM Cc1cc(C(=O)[N-]c2nc3c(ccc(F)c3C)s2)on1 ZINC000164764351 280374013 /nfs/dbraw/zinc/37/40/13/280374013.db2.gz SYVVDNYOFPSZEH-UHFFFAOYSA-N -1 3 291.307 3.293 20 0 CGADHM Cc1cc(F)cc(-c2nc3cc(F)c(F)cc3c(=O)[n-]2)c1 ZINC000431184782 280513857 /nfs/dbraw/zinc/51/38/57/280513857.db2.gz VUXBUEOMNQOZFD-UHFFFAOYSA-N -1 3 290.244 3.316 20 0 CGADHM CCc1cc(C(=O)N2[C@H](C)CCC[C@H]2C)ccc1[O-] ZINC000362755502 281381161 /nfs/dbraw/zinc/38/11/61/281381161.db2.gz IWCCZCQUGVEJKG-VXGBXAGGSA-N -1 3 261.365 3.358 20 0 CGADHM CN(C(=O)c1cc(=O)c2ccccc2[n-]1)[C@H]1CCC(C)(C)C1 ZINC000335719326 281871158 /nfs/dbraw/zinc/87/11/58/281871158.db2.gz PJSMCOBTMLHZDM-LBPRGKRZSA-N -1 3 298.386 3.179 20 0 CGADHM CC(C)c1cc(C(=O)NCC[C@@H](C)O)c([O-])c(C(C)C)c1 ZINC000538765130 288588529 /nfs/dbraw/zinc/58/85/29/288588529.db2.gz ZOZYOEOZQSQHNL-GFCCVEGCSA-N -1 3 293.407 3.140 20 0 CGADHM Cc1ccccc1-c1cc(=NC(=O)C2(C)CCCC2)[nH][n-]1 ZINC000539321039 288610505 /nfs/dbraw/zinc/61/05/05/288610505.db2.gz VXBLAYYBHPRXBL-UHFFFAOYSA-N -1 3 283.375 3.326 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2ccccc2F)c1 ZINC000539849176 288635092 /nfs/dbraw/zinc/63/50/92/288635092.db2.gz ACTDGWYDOIUHDD-UHFFFAOYSA-N -1 3 259.280 3.346 20 0 CGADHM C[C@@H]1C[C@H](C)[C@@H](C(=O)N2CC[C@H](C)c3cccc([O-])c32)O1 ZINC000282778278 288666120 /nfs/dbraw/zinc/66/61/20/288666120.db2.gz QBKVFKPMZAUFDM-OVZMXSCWSA-N -1 3 289.375 3.046 20 0 CGADHM CC(C)[C@H]1C[C@H](CC(=O)Nc2cccc([O-])c2F)CCO1 ZINC000543850567 288822861 /nfs/dbraw/zinc/82/28/61/288822861.db2.gz ZCOQSWLOLDOVGE-BXUZGUMPSA-N -1 3 295.354 3.311 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2cccc(Br)c2)n1 ZINC000550006018 289064310 /nfs/dbraw/zinc/06/43/10/289064310.db2.gz DZJXLEJDAYRTOM-WAYWQWQTSA-N -1 3 291.148 3.424 20 0 CGADHM CC(C)n1cc(NC(=O)c2cc3c(cc2[O-])CCCC3)cn1 ZINC000550675792 289081325 /nfs/dbraw/zinc/08/13/25/289081325.db2.gz FBIFULHMKLPUBZ-UHFFFAOYSA-N -1 3 299.374 3.301 20 0 CGADHM CC1(C)CN(Cc2c(F)ccc([O-])c2F)[C@@H]1C1CC1 ZINC000552051882 289155806 /nfs/dbraw/zinc/15/58/06/289155806.db2.gz LZLAWSZUWLRNIT-CQSZACIVSA-N -1 3 267.319 3.291 20 0 CGADHM C[C@@H]1C[C@@H](C(=O)Nc2c([O-])cccc2Cl)C[C@H](C)O1 ZINC000552435567 289188973 /nfs/dbraw/zinc/18/89/73/289188973.db2.gz NNPNTQPPPLMEIX-ILWJIGKKSA-N -1 3 283.755 3.188 20 0 CGADHM CCc1cc(C(=O)Nc2ccc(OC)cc2)ccc1[O-] ZINC000552831878 289199809 /nfs/dbraw/zinc/19/98/09/289199809.db2.gz CXZRWULVPZVMFO-UHFFFAOYSA-N -1 3 271.316 3.216 20 0 CGADHM CCc1cccc(C(=O)N2CCCC[C@@H]2c2cc[nH]n2)c1[O-] ZINC000553189448 289212215 /nfs/dbraw/zinc/21/22/15/289212215.db2.gz UQLCJRGFWLDAKI-OAHLLOKOSA-N -1 3 299.374 3.045 20 0 CGADHM C[C@@H]1CC[C@H]1NC(=O)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000553731950 289237350 /nfs/dbraw/zinc/23/73/50/289237350.db2.gz FKBDJYPRYOFBBB-VXNVDRBHSA-N -1 3 295.795 3.320 20 0 CGADHM CC(C)c1nc(C(=O)[N-]c2nnc(C3CC3)s2)cs1 ZINC000555084053 289327148 /nfs/dbraw/zinc/32/71/48/289327148.db2.gz WCOWDHIOPYXQLW-UHFFFAOYSA-N -1 3 294.405 3.248 20 0 CGADHM C[C@H](CC(=O)N=c1cc2ccccn2[n-]1)c1ccccc1F ZINC000557532716 289445448 /nfs/dbraw/zinc/44/54/48/289445448.db2.gz FLNKYTBWHXFHSB-GFCCVEGCSA-N -1 3 297.333 3.028 20 0 CGADHM COc1csc(C(=O)Nc2c([O-])cccc2Cl)c1 ZINC000560820206 289617189 /nfs/dbraw/zinc/61/71/89/289617189.db2.gz MZCQLXXDYSFAIJ-UHFFFAOYSA-N -1 3 283.736 3.368 20 0 CGADHM CC(C)c1ccc(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC000561067113 289623739 /nfs/dbraw/zinc/62/37/39/289623739.db2.gz HFLGLHFJBCKFGN-UHFFFAOYSA-N -1 3 297.358 3.435 20 0 CGADHM O=C([N-]c1nnc(/C=C/c2ccco2)s1)c1ccco1 ZINC000152432933 321699279 /nfs/dbraw/zinc/69/92/79/321699279.db2.gz WHRAORGRJUVZJS-AATRIKPKSA-N -1 3 287.300 3.147 20 0 CGADHM Cc1cccc([C@@H](C)C[N-]S(=O)(=O)c2cccs2)c1 ZINC000153445913 321719988 /nfs/dbraw/zinc/71/99/88/321719988.db2.gz LDAZTYHNFTUPTD-LBPRGKRZSA-N -1 3 295.429 3.139 20 0 CGADHM CC[C@@H](CC(F)F)C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000563812713 322011060 /nfs/dbraw/zinc/01/10/60/322011060.db2.gz GYCMZDRSUKBCAR-VIFPVBQESA-N -1 3 285.290 3.215 20 0 CGADHM CC[C@H](NCc1ncccc1[O-])c1ccc(F)cc1F ZINC000564301157 322025682 /nfs/dbraw/zinc/02/56/82/322025682.db2.gz GGNZFLKCVHMMKT-ZDUSSCGKSA-N -1 3 278.302 3.306 20 0 CGADHM CCCC[C@@H](C(=O)[O-])N(CC)Cc1c(F)cccc1F ZINC000565101339 322060089 /nfs/dbraw/zinc/06/00/89/322060089.db2.gz GOVNEPXVZUOIRH-AWEZNQCLSA-N -1 3 285.334 3.430 20 0 CGADHM O=C([O-])c1ccc(Cl)c(CN2C[C@@H]3CCC[C@H]3C2)c1 ZINC000565897966 322095754 /nfs/dbraw/zinc/09/57/54/322095754.db2.gz GSJFTOGSKXYQNK-RYUDHWBXSA-N -1 3 279.767 3.270 20 0 CGADHM C[C@@H](c1ccc(F)c(F)c1)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000566221923 322109894 /nfs/dbraw/zinc/10/98/94/322109894.db2.gz WSKSNDPNIFACFF-SCVCMEIPSA-N -1 3 283.318 3.068 20 0 CGADHM CCS[C@@H]1CCCCN(Cc2cc(C(=O)[O-])co2)C1 ZINC000566357888 322117721 /nfs/dbraw/zinc/11/77/21/322117721.db2.gz AHEBPUQKNDROHW-CYBMUJFWSA-N -1 3 283.393 3.085 20 0 CGADHM COCC1(C)CCN([C@H](C)c2cc(C(=O)[O-])c(C)o2)CC1 ZINC000566360935 322118306 /nfs/dbraw/zinc/11/83/06/322118306.db2.gz CNNXKJVJMAOIIT-LLVKDONJSA-N -1 3 295.379 3.096 20 0 CGADHM CC(C)(CC(=O)[O-])NCc1cc(C(F)(F)F)ccc1F ZINC000566419284 322121897 /nfs/dbraw/zinc/12/18/97/322121897.db2.gz RUOBMIMLLMUMOU-UHFFFAOYSA-N -1 3 293.260 3.187 20 0 CGADHM CN(Cc1occc1C(=O)[O-])[C@H]1CCc2ccccc21 ZINC000567172898 322153235 /nfs/dbraw/zinc/15/32/35/322153235.db2.gz CMQGZLTUSWCVDV-AWEZNQCLSA-N -1 3 271.316 3.097 20 0 CGADHM COCc1noc(-c2c[n-]nc2-c2cc3ccccc3o2)n1 ZINC000567553048 322167719 /nfs/dbraw/zinc/16/77/19/322167719.db2.gz RTHHXHQIENRZIA-UHFFFAOYSA-N -1 3 296.286 3.019 20 0 CGADHM CCc1cccc(-c2nc(C3(N)CCCCC3)no2)c1[O-] ZINC000567663463 322172555 /nfs/dbraw/zinc/17/25/55/322172555.db2.gz ASWDAVOTZFBVKD-UHFFFAOYSA-N -1 3 287.363 3.123 20 0 CGADHM O=C(N=c1cc(-c2ccccc2)[n-][nH]1)C1CC2(CCC2)C1 ZINC000567902040 322182453 /nfs/dbraw/zinc/18/24/53/322182453.db2.gz ZZUXJBMZDYLINT-UHFFFAOYSA-N -1 3 281.359 3.017 20 0 CGADHM CS[C@H]1CCCCN(Cc2ccc(F)cc2C(=O)[O-])C1 ZINC000568065936 322191487 /nfs/dbraw/zinc/19/14/87/322191487.db2.gz LHPADNKNJAUOJD-ZDUSSCGKSA-N -1 3 297.395 3.241 20 0 CGADHM O=C([O-])[C@H]1C[C@H](NCc2ccc(F)c(Cl)c2Cl)C1 ZINC000568257663 322201496 /nfs/dbraw/zinc/20/14/96/322201496.db2.gz UASGRMVHOCKBEP-ZKCHVHJHSA-N -1 3 292.137 3.085 20 0 CGADHM C[C@H]1CN([C@H](C(=O)[O-])c2ccccc2)Cc2ccccc2O1 ZINC000568290991 322204203 /nfs/dbraw/zinc/20/42/03/322204203.db2.gz XNQNVECECKVSLW-GUYCJALGSA-N -1 3 297.354 3.095 20 0 CGADHM CC(=O)c1cccc(NC(=O)C(C)(C)CC(F)F)c1[O-] ZINC000571089887 322289585 /nfs/dbraw/zinc/28/95/85/322289585.db2.gz JZIYZTXOULYFNE-UHFFFAOYSA-N -1 3 285.290 3.215 20 0 CGADHM C[C@H]1CCCN1[C@@H](C(=O)[O-])c1ccccc1C(F)(F)F ZINC000584118772 327042881 /nfs/dbraw/zinc/04/28/81/327042881.db2.gz LBOUJHIJWDUIIF-JOYOIKCWSA-N -1 3 287.281 3.315 20 0 CGADHM O=C(Nc1ncccc1[O-])c1ccc2ccc(Cl)cc2n1 ZINC000084382578 327149945 /nfs/dbraw/zinc/14/99/45/327149945.db2.gz GAEBDYKMBRCUBW-UHFFFAOYSA-N -1 3 299.717 3.241 20 0 CGADHM Cc1ccc([O-])c(C(=O)NC(C)(C)C(=O)c2ccccc2)c1 ZINC000584260249 327203780 /nfs/dbraw/zinc/20/37/80/327203780.db2.gz WRDLMAZUQSWNQY-UHFFFAOYSA-N -1 3 297.354 3.092 20 0 CGADHM C[C@H](C(=O)[O-])N(Cc1ccccc1Cl)C1CCC1 ZINC000582737611 329134222 /nfs/dbraw/zinc/13/42/22/329134222.db2.gz NSNDQVSWXDVCSC-SNVBAGLBSA-N -1 3 267.756 3.168 20 0 CGADHM CCc1cc(C(=O)Nc2cc(F)ccc2[O-])ccc1O ZINC000583195603 329357363 /nfs/dbraw/zinc/35/73/63/329357363.db2.gz LKTKKNVOAFXLRX-UHFFFAOYSA-N -1 3 275.279 3.052 20 0 CGADHM CCc1ccc(C(=O)Nc2cc(F)ccc2[O-])cc1 ZINC000174871492 335168068 /nfs/dbraw/zinc/16/80/68/335168068.db2.gz OMXUDXSSDIBUTR-UHFFFAOYSA-N -1 3 259.280 3.346 20 0 CGADHM O=C(Cc1ccc(Cl)cc1)Nc1cc(F)ccc1[O-] ZINC000174880301 335168308 /nfs/dbraw/zinc/16/83/08/335168308.db2.gz AFDNFDOKGLTGJC-UHFFFAOYSA-N -1 3 279.698 3.366 20 0 CGADHM CC1(C)C(c2nc(-c3ccc4n[n-]nc4c3)no2)C1(C)C ZINC000576328203 335189918 /nfs/dbraw/zinc/18/99/18/335189918.db2.gz ZXYSELYLDKDMMO-UHFFFAOYSA-N -1 3 283.335 3.158 20 0 CGADHM Cc1ccc2[n-]cc(C(=O)N(C)C3CC(C)(C)C3)c(=O)c2c1 ZINC000577068100 335294689 /nfs/dbraw/zinc/29/46/89/335294689.db2.gz HADXJJMHNBLWIB-UHFFFAOYSA-N -1 3 298.386 3.097 20 0 CGADHM CCc1cccc(C(=O)N2C[C@H](C)[C@@H](C)[C@H]2C)c1[O-] ZINC000577483561 335357054 /nfs/dbraw/zinc/35/70/54/335357054.db2.gz HMPYJCCDLJLSIC-QJPTWQEYSA-N -1 3 261.365 3.071 20 0 CGADHM O=C(Cc1ccc2c(c1)CCC2)Nc1cccc([O-])c1F ZINC000179151408 335475694 /nfs/dbraw/zinc/47/56/94/335475694.db2.gz VCOCXVPIXYEAQQ-UHFFFAOYSA-N -1 3 285.318 3.201 20 0 CGADHM CCc1cncc(-c2nc(-c3ccc([O-])c(OC)c3)no2)c1 ZINC000350584398 335516707 /nfs/dbraw/zinc/51/67/07/335516707.db2.gz SFZJDWGIBXIBCU-UHFFFAOYSA-N -1 3 297.314 3.075 20 0 CGADHM Cc1cccc(S(=O)(=O)[N-]c2cccc(C)c2F)c1 ZINC000180019636 335541474 /nfs/dbraw/zinc/54/14/74/335541474.db2.gz DRZQWVAQOGTOEU-UHFFFAOYSA-N -1 3 279.336 3.243 20 0 CGADHM C[C@H](CC(F)(F)F)c1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000351466543 335615760 /nfs/dbraw/zinc/61/57/60/335615760.db2.gz SGPRNELRXMEKRN-ZCFIWIBFSA-N -1 3 297.240 3.064 20 0 CGADHM Cc1cccc2c1ncc(C)c2N1CC[C@H](C(=O)[O-])[C@@H]1C ZINC000579597728 335818015 /nfs/dbraw/zinc/81/80/15/335818015.db2.gz BCLPQZPRTWCWEJ-STQMWFEESA-N -1 3 284.359 3.151 20 0 CGADHM COc1ccc([C@H]2CCCN2c2ccncc2C(=O)[O-])cc1 ZINC000579957897 335936733 /nfs/dbraw/zinc/93/67/33/335936733.db2.gz KESPQIPOTKHHBE-OAHLLOKOSA-N -1 3 298.342 3.130 20 0 CGADHM CCN(Cc1ccc(C(=O)[O-])cc1F)CC(C)C ZINC000062751103 521306513 /nfs/dbraw/zinc/30/65/13/521306513.db2.gz MFOGMCPWCYSDLF-UHFFFAOYSA-N -1 3 253.317 3.002 20 0 CGADHM CS[C@@H](CNC(=O)c1ccc([O-])c(C)c1)C(C)(C)C ZINC000436824651 533925569 /nfs/dbraw/zinc/92/55/69/533925569.db2.gz AAEXSMHEJCJMHD-ZDUSSCGKSA-N -1 3 281.421 3.208 20 0 CGADHM Cc1ccc(CN[C@H](C(=O)[O-])c2cccc(F)c2)cc1F ZINC000426820840 534085915 /nfs/dbraw/zinc/08/59/15/534085915.db2.gz NQUCRSPVUBRYII-HNNXBMFYSA-N -1 3 291.297 3.189 20 0 CGADHM CCc1cc(C(=O)N(C)[C@H](C)C2CCC2)ccc1[O-] ZINC000486949171 536100656 /nfs/dbraw/zinc/10/06/56/536100656.db2.gz HCDVCQWFTMVXHK-LLVKDONJSA-N -1 3 261.365 3.215 20 0 CGADHM Cc1noc([N-]C(=O)COc2cccc3ccccc32)c1C ZINC000359372390 534428090 /nfs/dbraw/zinc/42/80/90/534428090.db2.gz SCFDVPNKFZQTGV-UHFFFAOYSA-N -1 3 296.326 3.462 20 0 CGADHM CCC[C@H]1C[C@H](C(=O)Nc2cc(F)ccc2[O-])CCO1 ZINC000184130208 521245716 /nfs/dbraw/zinc/24/57/16/521245716.db2.gz ZRZQKPQDUGVJGY-PWSUYJOCSA-N -1 3 281.327 3.065 20 0 CGADHM CCOc1cccc(CN[C@H](C(=O)[O-])c2ccccc2)c1 ZINC000050510106 521373243 /nfs/dbraw/zinc/37/32/43/521373243.db2.gz SNSSQLYQXZTKTR-INIZCTEOSA-N -1 3 285.343 3.001 20 0 CGADHM Cc1cnc([C@H](C)NC(=O)c2ccc(C)c(C)c2[O-])s1 ZINC000436572553 534656473 /nfs/dbraw/zinc/65/64/73/534656473.db2.gz DTHFARFDOSNQRF-NSHDSACASA-N -1 3 290.388 3.265 20 0 CGADHM CC[C@@H]1CCCN(Cc2ccc(C(=O)[O-])cc2F)C1 ZINC000062752358 523252034 /nfs/dbraw/zinc/25/20/34/523252034.db2.gz MNGIHBDIEFJNHH-LLVKDONJSA-N -1 3 265.328 3.146 20 0 CGADHM CC(C)(C)c1nc(C=Cc2cccc(O)c2)cc(=O)[n-]1 ZINC000470253597 534903983 /nfs/dbraw/zinc/90/39/83/534903983.db2.gz DWTIUCFHBBBSLW-FPLPWBNLSA-N -1 3 270.332 3.356 20 0 CGADHM C/C=C\c1ccc(NC(=O)c2c[n-]c(C(=O)OC)c2)cc1 ZINC000354938299 526341984 /nfs/dbraw/zinc/34/19/84/526341984.db2.gz APTJEGYZYMZZJX-ARJAWSKDSA-N -1 3 284.315 3.087 20 0 CGADHM CC(C)(C)c1ccc(NC(=O)[C@@]2(C)C[C@@H]2F)c([O-])c1 ZINC000424827391 526781929 /nfs/dbraw/zinc/78/19/29/526781929.db2.gz QUCWTAOGPTWHRH-WFASDCNBSA-N -1 3 265.328 3.376 20 0 CGADHM CC(C)(C)c1ccc(NC(=O)[C@@]2(C)C[C@H]2F)c([O-])c1 ZINC000424827379 526782016 /nfs/dbraw/zinc/78/20/16/526782016.db2.gz QUCWTAOGPTWHRH-DOMZBBRYSA-N -1 3 265.328 3.376 20 0 CGADHM CC(=O)c1ccc(C(=O)N(C)[C@@H](C)c2ccco2)cc1[O-] ZINC000436534385 527235336 /nfs/dbraw/zinc/23/53/36/527235336.db2.gz XAVGSWNQBOGAMN-JTQLQIEISA-N -1 3 287.315 3.021 20 0 CGADHM CC(C)(C)CC[C@H](NCc1ccccc1F)C(=O)[O-] ZINC000426747575 527677635 /nfs/dbraw/zinc/67/76/35/527677635.db2.gz QFNOLVMMGWOJLM-ZDUSSCGKSA-N -1 3 267.344 3.195 20 0 CGADHM CC(C)(C)CSCC(=O)Nc1ccccc1[O-] ZINC000440582760 527690729 /nfs/dbraw/zinc/69/07/29/527690729.db2.gz HPKMPKYHAHZICJ-UHFFFAOYSA-N -1 3 253.367 3.110 20 0 CGADHM CC1(C)C[C@H]1c1noc(/C=C/c2cccc([O-])c2)n1 ZINC000435953932 527766507 /nfs/dbraw/zinc/76/65/07/527766507.db2.gz PDXJBNACDKWOCU-SYTKJHMZSA-N -1 3 256.305 3.459 20 0 CGADHM CCN=c1[n-]c(C(=O)N2CCC[C@H]2CC(C)(C)C)cs1 ZINC000358159120 527998503 /nfs/dbraw/zinc/99/85/03/527998503.db2.gz YEMBZVHOCKRBPC-NSHDSACASA-N -1 3 295.452 3.038 20 0 CGADHM CC(C)c1ccc(-c2nc(-c3ccon3)no2)c([O-])c1 ZINC000436941656 528051413 /nfs/dbraw/zinc/05/14/13/528051413.db2.gz DNPLUBASPTWFLL-UHFFFAOYSA-N -1 3 271.276 3.221 20 0 CGADHM CC(C)c1ccc(C(=O)NC[C@H]2CCCS2)c([O-])c1 ZINC000436572974 528072939 /nfs/dbraw/zinc/07/29/39/528072939.db2.gz GHCKHURZHVMYPB-GFCCVEGCSA-N -1 3 279.405 3.141 20 0 CGADHM CC(C)c1ccc(C(=O)NCc2cccc(O)c2)c([O-])c1 ZINC000436551490 528073770 /nfs/dbraw/zinc/07/37/70/528073770.db2.gz ZQZRMDIQNVCSAJ-UHFFFAOYSA-N -1 3 285.343 3.151 20 0 CGADHM CC(C)Oc1cc(-c2noc(-c3ccccc3[O-])n2)ccn1 ZINC000436917006 528096660 /nfs/dbraw/zinc/09/66/60/528096660.db2.gz CGFPHBFOGOMKMF-UHFFFAOYSA-N -1 3 297.314 3.291 20 0 CGADHM CCCN(Cc1ccccc1)C(=O)c1ccccc1[O-] ZINC000192850798 528145074 /nfs/dbraw/zinc/14/50/74/528145074.db2.gz ZSHGBRAZEBZKEO-UHFFFAOYSA-N -1 3 269.344 3.445 20 0 CGADHM CC(C)COc1ccccc1CNC(=O)c1ccccc1[O-] ZINC000436695149 528183099 /nfs/dbraw/zinc/18/30/99/528183099.db2.gz DNFYFLOGVHUQPW-UHFFFAOYSA-N -1 3 299.370 3.357 20 0 CGADHM CCOc1cc(C)ccc1CNC(=O)c1ccc([O-])c(C)c1 ZINC000436936488 528245376 /nfs/dbraw/zinc/24/53/76/528245376.db2.gz GBODVSWRYDALEF-UHFFFAOYSA-N -1 3 299.370 3.338 20 0 CGADHM CCC[C@H]1CN(C(=O)c2ccc(C(C)C)cc2[O-])CCO1 ZINC000436538292 528398221 /nfs/dbraw/zinc/39/82/21/528398221.db2.gz UUVDOASYIZOCGV-AWEZNQCLSA-N -1 3 291.391 3.157 20 0 CGADHM CC(C)[C@@H](C)N(C)C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436756721 528405720 /nfs/dbraw/zinc/40/57/20/528405720.db2.gz DNJKNAVFPDNKDM-GFCCVEGCSA-N -1 3 275.392 3.388 20 0 CGADHM CCOc1cccc(CNC(=O)c2cc(C)ccc2[O-])c1 ZINC000436563842 528652067 /nfs/dbraw/zinc/65/20/67/528652067.db2.gz FISBHSAZRZMZRH-UHFFFAOYSA-N -1 3 285.343 3.029 20 0 CGADHM CCC[C@@H](NC(=O)c1c[n-]c2ccccc2c1=O)C1CCC1 ZINC000412426567 528990422 /nfs/dbraw/zinc/99/04/22/528990422.db2.gz MBEPCGSUYSFHTK-OAHLLOKOSA-N -1 3 298.386 3.227 20 0 CGADHM CCC1(CC)CN(C(=O)c2c[n-]c3ccc(C)cc3c2=O)C1 ZINC000355839299 529073048 /nfs/dbraw/zinc/07/30/48/529073048.db2.gz YWCSJGVOTGQZRF-UHFFFAOYSA-N -1 3 298.386 3.099 20 0 CGADHM CC[C@H](C)[C@H](C)N(C(=O)c1cc(OC)ccc1[O-])C1CC1 ZINC000436716688 529237806 /nfs/dbraw/zinc/23/78/06/529237806.db2.gz BQIYCGXPUWBAOH-RYUDHWBXSA-N -1 3 291.391 3.440 20 0 CGADHM CCC[C@@H](NC(=O)NCc1ccc([O-])c(F)c1)C1CCC1 ZINC000458421022 535357565 /nfs/dbraw/zinc/35/75/65/535357565.db2.gz PXWWWCHMIIMUDD-CQSZACIVSA-N -1 3 294.370 3.299 20 0 CGADHM CCc1cc(C(=O)NCc2cc(F)ccc2F)ccc1[O-] ZINC000486114627 536123741 /nfs/dbraw/zinc/12/37/41/536123741.db2.gz BHTJKXXKDDSBEA-UHFFFAOYSA-N -1 3 291.297 3.163 20 0 CGADHM CCc1cc(C(=O)N[C@H](C)c2cccc(OC)c2)ccc1[O-] ZINC000485674366 536130239 /nfs/dbraw/zinc/13/02/39/536130239.db2.gz UZCSPLWPHITJPL-GFCCVEGCSA-N -1 3 299.370 3.454 20 0 CGADHM CC[C@H]1CCC[C@@H]1C(=O)Nc1ccc(OC)cc1[O-] ZINC000451025891 571717798 /nfs/dbraw/zinc/71/77/98/571717798.db2.gz LVACLCOSTFGXNT-JQWIXIFHSA-N -1 3 263.337 3.166 20 0 CGADHM CC[C@H]1CCCN1Cn1[n-]c(C(C)(C)C)nc1=S ZINC000727824768 571770956 /nfs/dbraw/zinc/77/09/56/571770956.db2.gz RIKZAFPZASWZIZ-JTQLQIEISA-N -1 3 268.430 3.070 20 0 CGADHM CN(CC1CCN(c2ccnc3ccccc32)CC1)C(=O)[O-] ZINC000739665489 571949507 /nfs/dbraw/zinc/94/95/07/571949507.db2.gz XHALQXHEMVESBT-UHFFFAOYSA-N -1 3 299.374 3.061 20 0 CGADHM CSc1ccncc1NC(=O)c1cc2occc2[n-]1 ZINC000750892291 572332142 /nfs/dbraw/zinc/33/21/42/572332142.db2.gz COMOWWGDTOOTJI-UHFFFAOYSA-N -1 3 273.317 3.130 20 0 CGADHM CC(C)N(Cc1ccccc1)C(=O)c1ccc2n[n-]nc2c1 ZINC000170224400 572343875 /nfs/dbraw/zinc/34/38/75/572343875.db2.gz ULGPFPYILQURHV-UHFFFAOYSA-N -1 3 294.358 3.009 20 0 CGADHM C[C@H]1CCCC[C@H]1NC(=S)NCc1ccc([O-])c(F)c1 ZINC000737461014 572345928 /nfs/dbraw/zinc/34/59/28/572345928.db2.gz HBJJDNAAJQKTJT-GXFFZTMASA-N -1 3 296.411 3.074 20 0 CGADHM Cc1cccc(C)c1COC(=O)c1ccc([O-])cc1O ZINC000738577844 572379850 /nfs/dbraw/zinc/37/98/50/572379850.db2.gz IGHILEPQRWPTIX-UHFFFAOYSA-N -1 3 272.300 3.072 20 0 CGADHM C[C@@H](NC(=O)[O-])C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000739012884 572394672 /nfs/dbraw/zinc/39/46/72/572394672.db2.gz ATFAKXXIBDDNMF-LLVKDONJSA-N -1 3 296.798 3.208 20 0 CGADHM Cc1oc(C(=O)[O-])cc1CN(C)CCc1ccccc1F ZINC000738958667 572397954 /nfs/dbraw/zinc/39/79/54/572397954.db2.gz WZQQELNBKGFGQL-UHFFFAOYSA-N -1 3 291.322 3.100 20 0 CGADHM C[C@@H](NCC1CCN(C(=O)[O-])CC1)c1c(F)cccc1F ZINC000739036248 572399464 /nfs/dbraw/zinc/39/94/64/572399464.db2.gz RTFZYVMRIHCPQE-SNVBAGLBSA-N -1 3 298.333 3.005 20 0 CGADHM C[C@H](c1ccc(F)c(Cl)c1)N(C)CCCNC(=O)[O-] ZINC000739050540 572400886 /nfs/dbraw/zinc/40/08/86/572400886.db2.gz ALIRAEJMHHWFBD-SECBINFHSA-N -1 3 288.750 3.130 20 0 CGADHM Cc1cc(CN2CCC([C@H](C)NC(=O)[O-])CC2)c(C)s1 ZINC000740081359 572432053 /nfs/dbraw/zinc/43/20/53/572432053.db2.gz QZDZXXNPOLSKNB-NSHDSACASA-N -1 3 296.436 3.233 20 0 CGADHM Cc1ccc(F)c(CN[C@H](C)[C@H]2CCCN(C(=O)[O-])C2)c1 ZINC000740127541 572432868 /nfs/dbraw/zinc/43/28/68/572432868.db2.gz OQPXBSXTVAGOJJ-OLZOCXBDSA-N -1 3 294.370 3.002 20 0 CGADHM O=C([O-])c1ccoc1CN1CC[C@@H](c2cccc(F)c2)C1 ZINC000740248642 572437746 /nfs/dbraw/zinc/43/77/46/572437746.db2.gz GRJKSRYHADZSLW-GFCCVEGCSA-N -1 3 289.306 3.106 20 0 CGADHM CCCCCCN(C)CC(=O)Nc1cc(Cl)ccc1[O-] ZINC000732276377 572456834 /nfs/dbraw/zinc/45/68/34/572456834.db2.gz IIOZBAVFVOARGB-UHFFFAOYSA-N -1 3 298.814 3.496 20 0 CGADHM C[Si](C)(C)COC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000740953145 572470393 /nfs/dbraw/zinc/47/03/93/572470393.db2.gz GKTHGCBJAGBARJ-UHFFFAOYSA-N -1 3 266.200 3.356 20 0 CGADHM Fc1ccc(CSc2cccs2)c(-c2nnn[n-]2)c1 ZINC000737651488 572487671 /nfs/dbraw/zinc/48/76/71/572487671.db2.gz XGFJSEXKNVFCGA-UHFFFAOYSA-N -1 3 292.364 3.360 20 0 CGADHM Fc1ccc(CSc2cccs2)c(-c2nn[n-]n2)c1 ZINC000737651488 572487677 /nfs/dbraw/zinc/48/76/77/572487677.db2.gz XGFJSEXKNVFCGA-UHFFFAOYSA-N -1 3 292.364 3.360 20 0 CGADHM CC(C)Oc1ccc(C=Cc2nccc(=O)[n-]2)cc1 ZINC000742221611 572559042 /nfs/dbraw/zinc/55/90/42/572559042.db2.gz PSQJGXNKGWFDRS-YVMONPNESA-N -1 3 256.305 3.140 20 0 CGADHM COc1cc(C=Cc2nccc(=O)[n-]2)cc(Cl)c1OC ZINC000742219612 572559412 /nfs/dbraw/zinc/55/94/12/572559412.db2.gz CSILUEIUFNOZJT-ARJAWSKDSA-N -1 3 292.722 3.023 20 0 CGADHM O=C(O[C@H]1C=CCCC1)c1cc(-c2cccs2)[n-]n1 ZINC000733450774 572576953 /nfs/dbraw/zinc/57/69/53/572576953.db2.gz SMWJNVGUATYKNX-JTQLQIEISA-N -1 3 274.345 3.404 20 0 CGADHM O=C(O[C@H]1C=CCCC1)c1cc(-c2cccs2)n[n-]1 ZINC000733450774 572576957 /nfs/dbraw/zinc/57/69/57/572576957.db2.gz SMWJNVGUATYKNX-JTQLQIEISA-N -1 3 274.345 3.404 20 0 CGADHM O=C([N-]c1ccccc1SC(F)F)c1ncccn1 ZINC000735875989 572747504 /nfs/dbraw/zinc/74/75/04/572747504.db2.gz BEALRJKHJNMSMB-UHFFFAOYSA-N -1 3 281.287 3.044 20 0 CGADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)C(C)(C)C ZINC000736024919 572762426 /nfs/dbraw/zinc/76/24/26/572762426.db2.gz CGLAYRROUICPJC-MRVPVSSYSA-N -1 3 294.790 3.009 20 0 CGADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)C(C)(C)C ZINC000736024919 572762431 /nfs/dbraw/zinc/76/24/31/572762431.db2.gz CGLAYRROUICPJC-MRVPVSSYSA-N -1 3 294.790 3.009 20 0 CGADHM C[C@@H](Sc1ccc(-c2nnn[n-]2)cc1)c1ccncc1 ZINC000736189166 572771048 /nfs/dbraw/zinc/77/10/48/572771048.db2.gz BCFKAYDPAXNSHR-SNVBAGLBSA-N -1 3 283.360 3.115 20 0 CGADHM C[C@@H](Sc1ccc(-c2nn[n-]n2)cc1)c1ccncc1 ZINC000736189166 572771050 /nfs/dbraw/zinc/77/10/50/572771050.db2.gz BCFKAYDPAXNSHR-SNVBAGLBSA-N -1 3 283.360 3.115 20 0 CGADHM C[C@@H]1CCC[C@H](Nc2ccc(-c3nnn[n-]3)cc2)[C@H]1C ZINC000736247570 572777181 /nfs/dbraw/zinc/77/71/81/572777181.db2.gz ACXOAAVUVDREMT-SUNKGSAMSA-N -1 3 271.368 3.103 20 0 CGADHM C[C@@H]1CCC[C@H](Nc2ccc(-c3nn[n-]n3)cc2)[C@H]1C ZINC000736247570 572777183 /nfs/dbraw/zinc/77/71/83/572777183.db2.gz ACXOAAVUVDREMT-SUNKGSAMSA-N -1 3 271.368 3.103 20 0 CGADHM CC[C@@H](Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C(C)C ZINC000736368658 572784234 /nfs/dbraw/zinc/78/42/34/572784234.db2.gz IBOGUWUQTYPSKS-GFCCVEGCSA-N -1 3 279.775 3.367 20 0 CGADHM CC[C@@H](Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C(C)C ZINC000736368658 572784239 /nfs/dbraw/zinc/78/42/39/572784239.db2.gz IBOGUWUQTYPSKS-GFCCVEGCSA-N -1 3 279.775 3.367 20 0 CGADHM CCOCc1ccc(CN[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000737177296 572864534 /nfs/dbraw/zinc/86/45/34/572864534.db2.gz DREAWRAMWJINSB-KRWDZBQOSA-N -1 3 299.370 3.139 20 0 CGADHM Cc1cc(C)cc([C@@H](C)Nc2ccc(-c3nnn[n-]3)cn2)c1 ZINC000737253076 572867691 /nfs/dbraw/zinc/86/76/91/572867691.db2.gz PKFFDYBFJKSNRJ-GFCCVEGCSA-N -1 3 294.362 3.052 20 0 CGADHM Cc1cc(C)cc([C@@H](C)Nc2ccc(-c3nn[n-]n3)cn2)c1 ZINC000737253076 572867695 /nfs/dbraw/zinc/86/76/95/572867695.db2.gz PKFFDYBFJKSNRJ-GFCCVEGCSA-N -1 3 294.362 3.052 20 0 CGADHM Cc1noc([N-]C(=O)C(F)(F)c2ccc(F)cc2)c1C ZINC000748361784 572974961 /nfs/dbraw/zinc/97/49/61/572974961.db2.gz TWBRWOAGGKHSJR-UHFFFAOYSA-N -1 3 284.237 3.161 20 0 CGADHM O=C(CCC1CCC1)Nc1n[n-]c(-c2cccs2)n1 ZINC000749372559 572994502 /nfs/dbraw/zinc/99/45/02/572994502.db2.gz ITFDLNNQNLDWRF-UHFFFAOYSA-N -1 3 276.365 3.052 20 0 CGADHM O=c1[n-]c(Oc2cc(F)cc(F)c2)nc2ccccc21 ZINC000750537631 573147324 /nfs/dbraw/zinc/14/73/24/573147324.db2.gz MHVIDPHOBSKLRV-UHFFFAOYSA-N -1 3 274.226 3.406 20 0 CGADHM c1ccc(CSc2ccccc2-c2nnn[n-]2)cc1 ZINC000823787281 599390011 /nfs/dbraw/zinc/39/00/11/599390011.db2.gz KHDXCKWIHOAEEE-UHFFFAOYSA-N -1 3 268.345 3.159 20 0 CGADHM c1ccc(CSc2ccccc2-c2nn[n-]n2)cc1 ZINC000823787281 599390014 /nfs/dbraw/zinc/39/00/14/599390014.db2.gz KHDXCKWIHOAEEE-UHFFFAOYSA-N -1 3 268.345 3.159 20 0 CGADHM c1cc(N2CCC3(C2)CCCCC3)ccc1-c1nn[n-]n1 ZINC000823751324 599051393 /nfs/dbraw/zinc/05/13/93/599051393.db2.gz GEPCSWVZZOIBKO-UHFFFAOYSA-N -1 3 283.379 3.027 20 0 CGADHM C[C@H](NCCC(=O)[O-])c1cc(Cl)sc1Cl ZINC000235523445 597240408 /nfs/dbraw/zinc/24/04/08/597240408.db2.gz CQLBQHUAWGIXIO-YFKPBYRVSA-N -1 3 268.165 3.180 20 0 CGADHM FC(F)(F)c1ccc(NC2CCCC2)cc1-c1nnn[n-]1 ZINC000822723766 607345238 /nfs/dbraw/zinc/34/52/38/607345238.db2.gz NNXMEZSLCSDADT-UHFFFAOYSA-N -1 3 297.284 3.240 20 0 CGADHM FC(F)(F)c1ccc(NC2CCCC2)cc1-c1nn[n-]n1 ZINC000822723766 607345239 /nfs/dbraw/zinc/34/52/39/607345239.db2.gz NNXMEZSLCSDADT-UHFFFAOYSA-N -1 3 297.284 3.240 20 0 CGADHM O=C([O-])[C@H](NC/C=C/c1ccccc1)c1ccccc1F ZINC000756332966 600749991 /nfs/dbraw/zinc/74/99/91/600749991.db2.gz OGIOQXZEDMUIJQ-YXMGTMDOSA-N -1 3 285.318 3.254 20 0 CGADHM O=C([O-])c1cccc(CN2CC[C@@H]2c2ccccc2)c1 ZINC000833328801 601008668 /nfs/dbraw/zinc/00/86/68/601008668.db2.gz SRIISEOHFNHXFF-MRXNPFEDSA-N -1 3 267.328 3.332 20 0 CGADHM Cc1cc(CN2CC[C@@H]2Cc2ccccc2)oc1C(=O)[O-] ZINC000832883357 601564115 /nfs/dbraw/zinc/56/41/15/601564115.db2.gz SBGURGIBQRAKQG-CQSZACIVSA-N -1 3 285.343 3.103 20 0 CGADHM Cn1cccc1[C@@H]1CCCN1Cc1ccsc1C(=O)[O-] ZINC000833059677 601804596 /nfs/dbraw/zinc/80/45/96/601804596.db2.gz VAMZJAODFXBQFD-ZDUSSCGKSA-N -1 3 290.388 3.122 20 0 CGADHM Cn1cccc1[C@H]1CCCN1Cc1ccc(C(=O)[O-])s1 ZINC000833058299 601939447 /nfs/dbraw/zinc/93/94/47/601939447.db2.gz AHYADGGBHGGUBX-CYBMUJFWSA-N -1 3 290.388 3.122 20 0 CGADHM CC[C@@](C)(CC(=O)[O-])NCc1cc(-c2cccs2)on1 ZINC000828665679 602219436 /nfs/dbraw/zinc/21/94/36/602219436.db2.gz WKNFJBXUYGINDZ-AWEZNQCLSA-N -1 3 294.376 3.136 20 0 CGADHM O=c1ccc(F)c2c(=O)n(C3CCCCCC3)[n-]cc1-2 ZINC000899350942 620655126 /nfs/dbraw/zinc/65/51/26/620655126.db2.gz UUJJYUJOFLWKMU-UHFFFAOYSA-N -1 3 276.311 3.137 20 0 CGADHM O=c1c2c(F)ccc([O-])c2cnn1C1CCCCCC1 ZINC000899350942 620655134 /nfs/dbraw/zinc/65/51/34/620655134.db2.gz UUJJYUJOFLWKMU-UHFFFAOYSA-N -1 3 276.311 3.137 20 0 CGADHM FC(F)(F)CCCCNc1ccc(-c2nn[n-]n2)cc1 ZINC000826367640 607685030 /nfs/dbraw/zinc/68/50/30/607685030.db2.gz IBPNLANIODZGKV-UHFFFAOYSA-N -1 3 285.273 3.011 20 0 CGADHM O=C([O-])c1cc(F)ccc1CN1CCC(C(F)F)CC1 ZINC000307865337 604393061 /nfs/dbraw/zinc/39/30/61/604393061.db2.gz FKCFAMAYJLYOEF-UHFFFAOYSA-N -1 3 287.281 3.001 20 0 CGADHM C[C@H](Oc1ccc(CN(C)Cc2ccccc2)cc1)C(=O)[O-] ZINC000077253108 604512102 /nfs/dbraw/zinc/51/21/02/604512102.db2.gz PDIDVHKFSBHQEH-AWEZNQCLSA-N -1 3 299.370 3.171 20 0 CGADHM C/C(=C\CN1[C@H](C)Cc2cc(F)ccc2[C@H]1C)C(=O)[O-] ZINC000833384675 604722037 /nfs/dbraw/zinc/72/20/37/604722037.db2.gz SUDGVKIXOLALHO-QEFZOKHDSA-N -1 3 277.339 3.164 20 0 CGADHM C[C@@H](CN(Cc1cccc(F)c1Cl)C1CC1)C(=O)[O-] ZINC000833516801 604908720 /nfs/dbraw/zinc/90/87/20/604908720.db2.gz XKWPFJGYYYGSPJ-VIFPVBQESA-N -1 3 285.746 3.164 20 0 CGADHM CC(C)(CNCc1csc(-c2ccsc2)n1)C(=O)[O-] ZINC000756306598 605112779 /nfs/dbraw/zinc/11/27/79/605112779.db2.gz KRPTVSPAQARDLA-UHFFFAOYSA-N -1 3 296.417 3.072 20 0 CGADHM C[C@H]1CCCN(Cc2cc(C(=O)[O-])ccc2F)[C@H]1C ZINC000252129863 605834384 /nfs/dbraw/zinc/83/43/84/605834384.db2.gz KQNFLNXQZOJROO-QWRGUYRKSA-N -1 3 265.328 3.144 20 0 CGADHM C[C@H]1CCC[C@H]1Nc1nc2ccccc2cc1-c1nnn[n-]1 ZINC000820697988 606072738 /nfs/dbraw/zinc/07/27/38/606072738.db2.gz ORRHWSJWZKRYJS-GXFFZTMASA-N -1 3 294.362 3.015 20 0 CGADHM C[C@H]1CCC[C@H]1Nc1nc2ccccc2cc1-c1nn[n-]n1 ZINC000820697988 606072743 /nfs/dbraw/zinc/07/27/43/606072743.db2.gz ORRHWSJWZKRYJS-GXFFZTMASA-N -1 3 294.362 3.015 20 0 CGADHM C[C@H](Sc1ncccc1-c1nnn[n-]1)c1cccs1 ZINC000820555108 606431839 /nfs/dbraw/zinc/43/18/39/606431839.db2.gz GIGKUBCZMBRJDG-QMMMGPOBSA-N -1 3 289.389 3.177 20 0 CGADHM C[C@H](Sc1ncccc1-c1nn[n-]n1)c1cccs1 ZINC000820555108 606431841 /nfs/dbraw/zinc/43/18/41/606431841.db2.gz GIGKUBCZMBRJDG-QMMMGPOBSA-N -1 3 289.389 3.177 20 0 CGADHM Fc1cccc(SCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822792487 606627526 /nfs/dbraw/zinc/62/75/26/606627526.db2.gz YNGPAQUWMDJAHT-UHFFFAOYSA-N -1 3 286.335 3.298 20 0 CGADHM Fc1cccc(SCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822792487 606627527 /nfs/dbraw/zinc/62/75/27/606627527.db2.gz YNGPAQUWMDJAHT-UHFFFAOYSA-N -1 3 286.335 3.298 20 0 CGADHM Clc1cccc(NCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822585524 606632795 /nfs/dbraw/zinc/63/27/95/606632795.db2.gz CEJJBZQJKNOIPN-UHFFFAOYSA-N -1 3 285.738 3.132 20 0 CGADHM Clc1cccc(NCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822585524 606632796 /nfs/dbraw/zinc/63/27/96/606632796.db2.gz CEJJBZQJKNOIPN-UHFFFAOYSA-N -1 3 285.738 3.132 20 0 CGADHM FC(F)(F)c1ccc(NCCC2CC2)c(-c2nnn[n-]2)c1 ZINC000822728283 606941058 /nfs/dbraw/zinc/94/10/58/606941058.db2.gz FMPQAZCOLHPEHV-UHFFFAOYSA-N -1 3 297.284 3.098 20 0 CGADHM FC(F)(F)c1ccc(NCCC2CC2)c(-c2nn[n-]n2)c1 ZINC000822728283 606941060 /nfs/dbraw/zinc/94/10/60/606941060.db2.gz FMPQAZCOLHPEHV-UHFFFAOYSA-N -1 3 297.284 3.098 20 0 CGADHM CC1(CNc2ccc(C(F)(F)F)cc2-c2nnn[n-]2)CC1 ZINC000820623393 606941264 /nfs/dbraw/zinc/94/12/64/606941264.db2.gz OLWCGWMVAWDTTO-UHFFFAOYSA-N -1 3 297.284 3.098 20 0 CGADHM CC1(CNc2ccc(C(F)(F)F)cc2-c2nn[n-]n2)CC1 ZINC000820623393 606941265 /nfs/dbraw/zinc/94/12/65/606941265.db2.gz OLWCGWMVAWDTTO-UHFFFAOYSA-N -1 3 297.284 3.098 20 0 CGADHM FC(F)(F)c1cc(NC2CC=CC2)ccc1-c1nn[n-]n1 ZINC000822724037 607120033 /nfs/dbraw/zinc/12/00/33/607120033.db2.gz WYKUIVSCWIHWGG-UHFFFAOYSA-N -1 3 295.268 3.016 20 0 CGADHM FC(F)(F)c1cc(NC2CC=CC2)ccc1-c1nnn[n-]1 ZINC000822724037 607120031 /nfs/dbraw/zinc/12/00/31/607120031.db2.gz WYKUIVSCWIHWGG-UHFFFAOYSA-N -1 3 295.268 3.016 20 0 CGADHM CC1(CNc2ccc3cc(-c4nnn[n-]4)ccc3n2)CCC1 ZINC000824832723 608231150 /nfs/dbraw/zinc/23/11/50/608231150.db2.gz VNXAHMWVITUQLE-UHFFFAOYSA-N -1 3 294.362 3.017 20 0 CGADHM CC1(CNc2ccc3cc(-c4nn[n-]n4)ccc3n2)CCC1 ZINC000824832723 608231152 /nfs/dbraw/zinc/23/11/52/608231152.db2.gz VNXAHMWVITUQLE-UHFFFAOYSA-N -1 3 294.362 3.017 20 0 CGADHM Cc1c(F)cccc1N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826241243 609273838 /nfs/dbraw/zinc/27/38/38/609273838.db2.gz WMEUELBIUHNOJA-NSHDSACASA-N -1 3 297.337 3.487 20 0 CGADHM Cc1c(F)cccc1N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826241243 609273839 /nfs/dbraw/zinc/27/38/39/609273839.db2.gz WMEUELBIUHNOJA-NSHDSACASA-N -1 3 297.337 3.487 20 0 CGADHM Fc1cccc(CCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826376802 609413369 /nfs/dbraw/zinc/41/33/69/609413369.db2.gz SSVOCKLCWGRFEU-UHFFFAOYSA-N -1 3 298.321 3.017 20 0 CGADHM Fc1cccc(CCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826376802 609413370 /nfs/dbraw/zinc/41/33/70/609413370.db2.gz SSVOCKLCWGRFEU-UHFFFAOYSA-N -1 3 298.321 3.017 20 0 CGADHM CCc1nc(CNC[C@@H](CC2CCCC2)C(=O)[O-])cs1 ZINC000900082947 620758449 /nfs/dbraw/zinc/75/84/49/620758449.db2.gz BILYFRXAUCSTPZ-GFCCVEGCSA-N -1 3 296.436 3.076 20 0 CGADHM [O-]c1ccc(CNCc2ccn(-c3ccccc3)n2)cc1F ZINC000091060875 617806741 /nfs/dbraw/zinc/80/67/41/617806741.db2.gz ZCCHNMRWJYUCMW-UHFFFAOYSA-N -1 3 297.333 3.007 20 0 CGADHM O=C([N-]OC1CCC1)C1(Cc2ccc(Cl)cc2)CC1 ZINC000812790835 617854546 /nfs/dbraw/zinc/85/45/46/617854546.db2.gz KBTGUUGZYQFZKR-UHFFFAOYSA-N -1 3 279.767 3.263 20 0 CGADHM CCc1ccccc1CNCc1cc(C(=O)[O-])oc1C ZINC000234121658 617987887 /nfs/dbraw/zinc/98/78/87/617987887.db2.gz UDBTXFXMVNHZLN-UHFFFAOYSA-N -1 3 273.332 3.138 20 0 CGADHM O=C([O-])CC[C@@H]1CCCN(Cc2sccc2Cl)C1 ZINC000261575583 618087746 /nfs/dbraw/zinc/08/77/46/618087746.db2.gz NHCJTFLPXGALEK-JTQLQIEISA-N -1 3 287.812 3.478 20 0 CGADHM CC(C)(C)c1nc(C(=O)[N-]c2ccnc(Cl)c2F)co1 ZINC000891516735 618235663 /nfs/dbraw/zinc/23/56/63/618235663.db2.gz WEYBAFLBJIPRBP-UHFFFAOYSA-N -1 3 297.717 3.412 20 0 CGADHM O=C([O-])c1cccc(CN2CCC3(CCCCC3)CC2)n1 ZINC000236489026 618858298 /nfs/dbraw/zinc/85/82/98/618858298.db2.gz GLPYBXZPCLHXRL-UHFFFAOYSA-N -1 3 288.391 3.326 20 0 CGADHM O=C([N-]OC/C=C/Cl)C1(CCc2ccccc2)CC1 ZINC000936061330 618932977 /nfs/dbraw/zinc/93/29/77/618932977.db2.gz YQYHFTALTCIXGS-NYYWCZLTSA-N -1 3 279.767 3.200 20 0 CGADHM CC(C)c1ccc(N(C)C(=O)c2cccc3n[n-]nc32)cc1 ZINC000188490629 619085552 /nfs/dbraw/zinc/08/55/52/619085552.db2.gz VYSNQQGMSARZLZ-UHFFFAOYSA-N -1 3 294.358 3.358 20 0 CGADHM C[C@@H](Cc1ccsc1)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC000314909529 619238098 /nfs/dbraw/zinc/23/80/98/619238098.db2.gz GHEFOATVSCAXGZ-IUCAKERBSA-N -1 3 296.417 3.185 20 0 CGADHM CCO[N-]C(=O)CCCOc1cccc(Cl)c1Cl ZINC000066311465 619253984 /nfs/dbraw/zinc/25/39/84/619253984.db2.gz BQJMTISKUVRRGX-UHFFFAOYSA-N -1 3 292.162 3.220 20 0 CGADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@@H]1C[C@@H]2CCC[C@@H]12 ZINC000889603002 619554175 /nfs/dbraw/zinc/55/41/75/619554175.db2.gz JHRCKFSTJSOBDC-GZBFAFLISA-N -1 3 291.366 3.159 20 0 CGADHM C[C@@H]1C[C@@H](NC(=O)c2cc3sccc3c([O-])c2)CS1 ZINC000840511022 619934772 /nfs/dbraw/zinc/93/47/72/619934772.db2.gz SJUUMARPMRRGCD-PSASIEDQSA-N -1 3 293.413 3.231 20 0 CGADHM C[C@@H]1CC[C@@H](C(=O)[O-])CN1Cc1cc(Cl)cs1 ZINC000263454799 620320357 /nfs/dbraw/zinc/32/03/57/620320357.db2.gz AMQYWFUWPVMHJE-RKDXNWHRSA-N -1 3 273.785 3.087 20 0 CGADHM Cc1nocc1C(=O)[N-]c1cc(C2(C)CCCC2)on1 ZINC000897597541 620406107 /nfs/dbraw/zinc/40/61/07/620406107.db2.gz NMAGAABBRGLWRO-UHFFFAOYSA-N -1 3 275.308 3.055 20 0 CGADHM Cc1cccc(CO[N-]C(=O)CC2CCCCCC2)n1 ZINC000898933687 620610166 /nfs/dbraw/zinc/61/01/66/620610166.db2.gz FLHLCWUZTLDOTI-UHFFFAOYSA-N -1 3 276.380 3.298 20 0 CGADHM CC(C)Cc1ncc(CN2CCC(CC(=O)[O-])CC2)s1 ZINC000901418369 620881319 /nfs/dbraw/zinc/88/13/19/620881319.db2.gz BXUJMSZYVZZUAT-UHFFFAOYSA-N -1 3 296.436 3.028 20 0 CGADHM Cc1ccncc1CN[C@H](CCC(=O)[O-])c1ccccc1 ZINC000901650237 620966241 /nfs/dbraw/zinc/96/62/41/620966241.db2.gz JPURYCOIYDYRRZ-MRXNPFEDSA-N -1 3 284.359 3.086 20 0 CGADHM O=S(=O)([N-]c1cnn(C2CCCC2)c1)C1=CCCCC1 ZINC000901765892 621016961 /nfs/dbraw/zinc/01/69/61/621016961.db2.gz MQHNPOBACOJHCI-UHFFFAOYSA-N -1 3 295.408 3.198 20 0 CGADHM O=C([O-])c1cccc2c1CN(Cc1cccs1)CC2 ZINC000901776081 621019740 /nfs/dbraw/zinc/01/97/40/621019740.db2.gz BZNDCANWPUMMLT-UHFFFAOYSA-N -1 3 273.357 3.005 20 0 CGADHM C[C@H](CCC(F)(F)F)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC000901908027 621066418 /nfs/dbraw/zinc/06/64/18/621066418.db2.gz MVBRAMBWFDWWNA-RNFRBKRXSA-N -1 3 296.314 3.223 20 0 CGADHM CCCc1ccc(CN2CC[C@H](C)C[C@@H]2C(=O)[O-])s1 ZINC000902016153 621102568 /nfs/dbraw/zinc/10/25/68/621102568.db2.gz KRKMFIVMLATQBZ-SMDDNHRTSA-N -1 3 281.421 3.386 20 0 CGADHM O=C([O-])c1cccc(CN[C@H](c2ccccc2)C2CC2)n1 ZINC000902133078 621150141 /nfs/dbraw/zinc/15/01/41/621150141.db2.gz WZIRPPVCGNJUFZ-MRXNPFEDSA-N -1 3 282.343 3.021 20 0 CGADHM O=C([O-])c1cc(CN[C@@H]2CCc3cc(F)ccc32)cs1 ZINC000902170703 621183388 /nfs/dbraw/zinc/18/33/88/621183388.db2.gz FTMRLPIKSIEUTM-CYBMUJFWSA-N -1 3 291.347 3.363 20 0 CGADHM Cc1ccc2c(c1)CC[C@@H]2NCc1ccoc1C(=O)[O-] ZINC000902172731 621184896 /nfs/dbraw/zinc/18/48/96/621184896.db2.gz CLHSRDCBYVMWCS-AWEZNQCLSA-N -1 3 271.316 3.063 20 0 CGADHM Cc1cc(CNC2(Cc3ccccc3)CC2)oc1C(=O)[O-] ZINC000902268326 621233101 /nfs/dbraw/zinc/23/31/01/621233101.db2.gz AXQDTOJVUPSLTJ-UHFFFAOYSA-N -1 3 285.343 3.151 20 0 CGADHM CCc1cnc(CN[C@@H](C)CCCC(C)(C)C(=O)[O-])s1 ZINC000902341708 621254664 /nfs/dbraw/zinc/25/46/64/621254664.db2.gz YVPFAZKBXOFAQZ-NSHDSACASA-N -1 3 298.452 3.465 20 0 CGADHM Cc1cc(=O)[n-]c(CSC[C@H]2CC(C)(C)OC2(C)C)n1 ZINC000902343493 621256788 /nfs/dbraw/zinc/25/67/88/621256788.db2.gz QHBVCWKKBURBHX-LLVKDONJSA-N -1 3 296.436 3.318 20 0 CGADHM CCc1oc(CN(C)[C@H](C)CCSC)cc1C(=O)[O-] ZINC000902538997 621357169 /nfs/dbraw/zinc/35/71/69/621357169.db2.gz ALHXUAFDSBZGHY-SNVBAGLBSA-N -1 3 285.409 3.114 20 0 CGADHM CCC(F)(F)CN(CC(C)C)CC(C)(C)C(=O)[O-] ZINC000903621936 621776569 /nfs/dbraw/zinc/77/65/69/621776569.db2.gz GUICYMLGUMQJAT-UHFFFAOYSA-N -1 3 265.344 3.101 20 0 CGADHM O=C([O-])[C@@H]1C[C@H]1CN1Cc2ccccc2-c2ccccc2C1 ZINC000903889723 621822992 /nfs/dbraw/zinc/82/29/92/621822992.db2.gz PVCUGRHXRPLYEQ-MAUKXSAKSA-N -1 3 293.366 3.390 20 0 CGADHM O=C([O-])c1cccc2c1OCCN(CCCC1CCC1)C2 ZINC000903928873 621833821 /nfs/dbraw/zinc/83/38/21/621833821.db2.gz ZNGRJJLFZZVKKH-UHFFFAOYSA-N -1 3 289.375 3.160 20 0 CGADHM CC(C)n1cc(NC(=O)N([O-])Cc2ccc(F)cc2)cn1 ZINC000904197689 621888233 /nfs/dbraw/zinc/88/82/33/621888233.db2.gz LRQRDQGCQIVMTC-UHFFFAOYSA-N -1 3 292.314 3.026 20 0 CGADHM O=C([O-])c1ccc(CN[C@@H](c2ccncc2)C2CC2)s1 ZINC000904272711 621894696 /nfs/dbraw/zinc/89/46/96/621894696.db2.gz HYCDYCVSXYNANC-CQSZACIVSA-N -1 3 288.372 3.082 20 0 CGADHM O=C([O-])[C@@H]1CCC[C@@H]1NCc1c(Cl)cccc1Cl ZINC000904268701 621896117 /nfs/dbraw/zinc/89/61/17/621896117.db2.gz ZIACMWHIWBOHSW-PELKAZGASA-N -1 3 288.174 3.336 20 0 CGADHM Cc1coc(C[N-]c2nnc([C@@H]3Cc4ccccc4O3)o2)c1 ZINC000905407291 622067738 /nfs/dbraw/zinc/06/77/38/622067738.db2.gz CSFFIAFDPVAQDS-AWEZNQCLSA-N -1 3 297.314 3.259 20 0 CGADHM CN(Cc1ccc(C(=O)[O-])cn1)C(C)(C)c1ccccc1 ZINC000905729033 622101541 /nfs/dbraw/zinc/10/15/41/622101541.db2.gz UDAONTUETJHYEL-UHFFFAOYSA-N -1 3 284.359 3.147 20 0 CGADHM CCCCC1(NCc2cc(C(=O)[O-])c(C)o2)CC1 ZINC000905789935 622109986 /nfs/dbraw/zinc/10/99/86/622109986.db2.gz OWBWNJASWBYSDQ-UHFFFAOYSA-N -1 3 251.326 3.099 20 0 CGADHM Cc1cccc2c1ncc(C)c2N1CC[C@H]2[C@@H](C1)[C@H]2C(=O)[O-] ZINC000906151340 622162106 /nfs/dbraw/zinc/16/21/06/622162106.db2.gz XXDVSUKBQMMDDD-CFVMTHIKSA-N -1 3 296.370 3.009 20 0 CGADHM COc1cccc([O-])c1C(=O)N(C)[C@H]1CCC(C)(C)C1 ZINC000907914268 622317554 /nfs/dbraw/zinc/31/75/54/622317554.db2.gz TURFYJCSMWLGSA-NSHDSACASA-N -1 3 277.364 3.052 20 0 CGADHM Cc1nnsc1[C@H](C)OC(=O)c1cccc(Cl)c1[O-] ZINC000909143862 622400178 /nfs/dbraw/zinc/40/01/78/622400178.db2.gz QANNAZGPJWQRJP-ZETCQYMHSA-N -1 3 298.751 3.124 20 0 CGADHM O=C(c1cc([O-])ccc1Cl)N1CC=CC12CCCC2 ZINC000913205192 622745088 /nfs/dbraw/zinc/74/50/88/622745088.db2.gz WCMRZFUQBRQKQO-UHFFFAOYSA-N -1 3 277.751 3.370 20 0 CGADHM O=C(OCc1cccc(F)c1F)c1ccc([O-])cc1 ZINC000058370685 622923486 /nfs/dbraw/zinc/92/34/86/622923486.db2.gz LJJTWVDDXPEQLN-UHFFFAOYSA-N -1 3 264.227 3.027 20 0 CGADHM CC(C)[C@@H](OC(=O)c1ccc([O-])cc1)C(=O)c1ccccc1 ZINC000050363290 623062083 /nfs/dbraw/zinc/06/20/83/623062083.db2.gz FENVIYGBWSYXHG-QGZVFWFLSA-N -1 3 298.338 3.457 20 0 CGADHM O=C([N-]Cc1cc(F)ccc1F)C(F)(F)c1ccccc1 ZINC000171571975 623175541 /nfs/dbraw/zinc/17/55/41/623175541.db2.gz MWWHKRBOEBRLQU-UHFFFAOYSA-N -1 3 297.251 3.373 20 0 CGADHM CCCN(Cc1ccc([O-])c(F)c1)CC(F)(F)F ZINC000232449728 623384860 /nfs/dbraw/zinc/38/48/60/623384860.db2.gz YAEMFQCMFLEBBT-UHFFFAOYSA-N -1 3 265.250 3.306 20 0 CGADHM C[C@@H](OC(=O)c1cc(F)cc(Cl)c1[O-])c1ccncc1 ZINC000757711127 623482359 /nfs/dbraw/zinc/48/23/59/623482359.db2.gz BHBRVCJNXFRWFP-MRVPVSSYSA-N -1 3 295.697 3.498 20 0 CGADHM O=C(/C=C/c1cccc(O)c1)Nc1cc(Cl)ccc1[O-] ZINC000180183108 624725410 /nfs/dbraw/zinc/72/54/10/624725410.db2.gz QVWDEBVDUBIBSL-QPJJXVBHSA-N -1 3 289.718 3.403 20 0 CGADHM Cc1ccc(CC(=O)[N-]OCc2ccc(F)cc2C)cc1 ZINC000182920777 625034985 /nfs/dbraw/zinc/03/49/85/625034985.db2.gz XNPDWTKVBNVZNY-UHFFFAOYSA-N -1 3 287.334 3.233 20 0 CGADHM CC1(C)CCC(=CC(=O)[N-]O[C@@H]2CCCCO2)CC1 ZINC000751816853 626406027 /nfs/dbraw/zinc/40/60/27/626406027.db2.gz XXVWXAREMXLVHU-CQSZACIVSA-N -1 3 267.369 3.087 20 0 CGADHM COCCCO[N-]C(=O)C[C@@H]1C[C@H](C)c2c1cccc2C ZINC000805043405 626453311 /nfs/dbraw/zinc/45/33/11/626453311.db2.gz SCCBFNJUBWZADW-KBPBESRZSA-N -1 3 291.391 3.060 20 0 CGADHM O=C(C[C@H]1CCc2ccccc21)[N-]OCc1ccc(F)cc1 ZINC000754715428 626584296 /nfs/dbraw/zinc/58/42/96/626584296.db2.gz AWIXWZOWANDTKZ-OAHLLOKOSA-N -1 3 299.345 3.494 20 0 CGADHM O=C([N-]c1ccon1)c1coc(-c2ccccc2Cl)n1 ZINC000755770577 626645349 /nfs/dbraw/zinc/64/53/49/626645349.db2.gz RYQVQFYJGNMROS-UHFFFAOYSA-N -1 3 289.678 3.235 20 0 CGADHM Cc1cc(CN[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])c(C)o1 ZINC000756385664 626699180 /nfs/dbraw/zinc/69/91/80/626699180.db2.gz RHMIYOHDJMBLTM-BLLLJJGKSA-N -1 3 287.359 3.448 20 0 CGADHM C[C@@H]([N-]C(=O)C(F)(F)c1nccs1)c1cccs1 ZINC000756408521 626702589 /nfs/dbraw/zinc/70/25/89/626702589.db2.gz JCNCXKKCPOMLEN-SSDOTTSWSA-N -1 3 288.344 3.174 20 0 CGADHM O=C(CC1CCC(C(F)(F)F)CC1)[N-]OCC(F)F ZINC000759343058 626889840 /nfs/dbraw/zinc/88/98/40/626889840.db2.gz ODYFKCWSRDNZMD-UHFFFAOYSA-N -1 3 289.244 3.058 20 0 CGADHM CCC/C=C/C(=O)Nc1cc(Br)ccc1[O-] ZINC000759709679 626917062 /nfs/dbraw/zinc/91/70/62/626917062.db2.gz XXJIMHSSEHHZMF-SNAWJCMRSA-N -1 3 284.153 3.450 20 0 CGADHM C/C(=C\c1ccc(Cl)cc1)C(=O)[N-]OCC(F)F ZINC000760145421 626941572 /nfs/dbraw/zinc/94/15/72/626941572.db2.gz CESKBMHXZPRNHE-SOFGYWHQSA-N -1 3 275.682 3.056 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2cc(Cl)cs2)n1 ZINC000760866429 626997958 /nfs/dbraw/zinc/99/79/58/626997958.db2.gz LUVQXRSPWASSOE-UHFFFAOYSA-N -1 3 268.725 3.063 20 0 CGADHM Cc1cc(=O)[n-]c(CS[C@H]2CCc3ccccc32)n1 ZINC000761864068 627068235 /nfs/dbraw/zinc/06/82/35/627068235.db2.gz MRTCMEVCKXTXCK-ZDUSSCGKSA-N -1 3 272.373 3.411 20 0 CGADHM O=C(C=C(C1CC1)C1CC1)Nc1cccc([O-])c1F ZINC000762316494 627104969 /nfs/dbraw/zinc/10/49/69/627104969.db2.gz FUWWBLHGZGAMGF-UHFFFAOYSA-N -1 3 261.296 3.216 20 0 CGADHM CC(C)C(C)(C)SCCC[N-]C(=O)C(F)(F)F ZINC000762981539 627134255 /nfs/dbraw/zinc/13/42/55/627134255.db2.gz WYCOZSKUKUIJPO-UHFFFAOYSA-N -1 3 271.348 3.223 20 0 CGADHM CC(C)(C)CC(=O)COC(=O)c1cc2ccsc2[n-]1 ZINC000805358281 627450226 /nfs/dbraw/zinc/45/02/26/627450226.db2.gz JPWXIOLYFZMRRZ-UHFFFAOYSA-N -1 3 279.361 3.392 20 0 CGADHM CC(C)[C@H]1CCC[C@H]([N-]C(=O)C(F)(F)F)CC1 ZINC000769634843 627570083 /nfs/dbraw/zinc/57/00/83/627570083.db2.gz VGQOGCOCLMIVRT-UWVGGRQHSA-N -1 3 251.292 3.270 20 0 CGADHM CC(C)(C)C1CCC(CC(=O)[N-]OC2CCOCC2)CC1 ZINC000772711463 627816735 /nfs/dbraw/zinc/81/67/35/627816735.db2.gz LCSONVRXXKISBG-UHFFFAOYSA-N -1 3 297.439 3.456 20 0 CGADHM O=C(N[C@@H]1CC12CCC2)c1cc([O-])cc(C(F)(F)F)c1 ZINC000874777918 634608674 /nfs/dbraw/zinc/60/86/74/634608674.db2.gz IWTNYRYCIKJGDR-LLVKDONJSA-N -1 3 285.265 3.083 20 0 CGADHM O=C(Cc1ccc(-n2cccc2)cc1)[N-]OC1CCCCC1 ZINC000777948682 628314151 /nfs/dbraw/zinc/31/41/51/628314151.db2.gz DYWSTBLTLPXRSS-UHFFFAOYSA-N -1 3 298.386 3.400 20 0 CGADHM Cc1ccc(CC(=O)[N-]OC2CCCCC2)cc1C ZINC000777960925 628314539 /nfs/dbraw/zinc/31/45/39/628314539.db2.gz CBRPVJJLLAGUHR-UHFFFAOYSA-N -1 3 261.365 3.226 20 0 CGADHM CCOc1c(Cl)cccc1C=C1SC(=O)[N-]C1=O ZINC000874929184 634654470 /nfs/dbraw/zinc/65/44/70/634654470.db2.gz VPJQSUYBDPCFRE-TWGQIWQCSA-N -1 3 283.736 3.063 20 0 CGADHM Cc1cc(F)ccc1CO[N-]C(=O)CC(C)(C)C ZINC000842060718 635270136 /nfs/dbraw/zinc/27/01/36/635270136.db2.gz BRGUUQWZWUTPDL-UHFFFAOYSA-N -1 3 253.317 3.118 20 0 CGADHM COc1cccc([C@H](C)OC(=O)c2ccc([O-])cc2)c1 ZINC000782006619 628609047 /nfs/dbraw/zinc/60/90/47/628609047.db2.gz LUJZKLGDFKCKES-NSHDSACASA-N -1 3 272.300 3.319 20 0 CGADHM Cc1ccccc1[C@H](C)OC(=O)c1cncc([O-])c1 ZINC000783622925 628732841 /nfs/dbraw/zinc/73/28/41/628732841.db2.gz ACXLPYKPOPHSSK-NSHDSACASA-N -1 3 257.289 3.014 20 0 CGADHM CC[C@H](OC(=O)c1cc2occc2[n-]1)C(=O)OC(C)(C)C ZINC000786030557 628908610 /nfs/dbraw/zinc/90/86/10/628908610.db2.gz SFJPWCCZMWEDKL-NSHDSACASA-N -1 3 293.319 3.038 20 0 CGADHM Cc1ccc(COC(=O)c2cc3occc3[n-]2)c(C)n1 ZINC000786034519 628909611 /nfs/dbraw/zinc/90/96/11/628909611.db2.gz VQJZQPQYOVOAHF-UHFFFAOYSA-N -1 3 270.288 3.130 20 0 CGADHM O=C(OCCCCCCO)c1cc2sccc2c([O-])c1 ZINC000786130750 628915922 /nfs/dbraw/zinc/91/59/22/628915922.db2.gz HZRDOUYWWKYSNZ-UHFFFAOYSA-N -1 3 294.372 3.316 20 0 CGADHM COC(C)(C)CCO[N-]C(=O)CCC1CCCCC1 ZINC000786744048 628960948 /nfs/dbraw/zinc/96/09/48/628960948.db2.gz MXOAOVHQUNGLOA-UHFFFAOYSA-N -1 3 271.401 3.210 20 0 CGADHM CCc1cccc(CSCc2nc(C)cc(=O)[n-]2)c1 ZINC000786799624 628964744 /nfs/dbraw/zinc/96/47/44/628964744.db2.gz JNIPYLNWHGRBMO-UHFFFAOYSA-N -1 3 274.389 3.486 20 0 CGADHM CC[C@H](C)N(OC)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000788000138 629039114 /nfs/dbraw/zinc/03/91/14/629039114.db2.gz HQVZNZLYLDUMKM-NSHDSACASA-N -1 3 283.343 3.043 20 0 CGADHM CN(CC1CC1)C(=O)c1cc2sccc2c([O-])c1 ZINC000788287970 629045179 /nfs/dbraw/zinc/04/51/79/629045179.db2.gz LOJWYUUSVSNHEM-UHFFFAOYSA-N -1 3 261.346 3.089 20 0 CGADHM O=C([N-]OCc1ccccc1)C1(C2CCC2)CCC1 ZINC000836247106 634738452 /nfs/dbraw/zinc/73/84/52/634738452.db2.gz PLYFECZADQDZMO-UHFFFAOYSA-N -1 3 259.349 3.205 20 0 CGADHM CSCCO[N-]C(=O)CC(C)(C)C1CCCCC1 ZINC000794192598 629520676 /nfs/dbraw/zinc/52/06/76/629520676.db2.gz PBWBCBBVAIGCTD-UHFFFAOYSA-N -1 3 273.442 3.394 20 0 CGADHM CCc1ccccc1OCCC(=O)[N-]OCc1ccccc1 ZINC000794821823 629582485 /nfs/dbraw/zinc/58/24/85/629582485.db2.gz XJZGMYQKZMDKED-UHFFFAOYSA-N -1 3 299.370 3.266 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)CCC(=O)c1ccc(F)cc1F ZINC000794843240 629586747 /nfs/dbraw/zinc/58/67/47/629586747.db2.gz PRIIACJWCVQZGJ-JTQLQIEISA-N -1 3 299.317 3.022 20 0 CGADHM CCSc1ccc(CC(=O)[N-]OC[C@@H](C)CC)cc1 ZINC000794856078 629589430 /nfs/dbraw/zinc/58/94/30/629589430.db2.gz ZGLQAPPHFPEQRE-LBPRGKRZSA-N -1 3 281.421 3.435 20 0 CGADHM O=C(OC[C@@H]1CCC[C@H](O)C1)c1cc(Cl)c(Cl)[n-]1 ZINC000795313967 629659609 /nfs/dbraw/zinc/65/96/09/629659609.db2.gz PPLSBRVEVIOTDC-SFYZADRCSA-N -1 3 292.162 3.029 20 0 CGADHM O=C(OCc1cncc(F)c1)c1cc(Cl)c(Cl)[n-]1 ZINC000795418699 629673512 /nfs/dbraw/zinc/67/35/12/629673512.db2.gz BNEJPPLIVACKLX-UHFFFAOYSA-N -1 3 289.093 3.213 20 0 CGADHM C[C@@H](CSc1nc2c(cnn2C)c(=O)[n-]1)CC(C)(C)C ZINC000865372396 630081499 /nfs/dbraw/zinc/08/14/99/630081499.db2.gz PNOVTWFFWHUFGH-SECBINFHSA-N -1 3 294.424 3.233 20 0 CGADHM O=C(OC[C@H]1CCC(F)(F)C1)c1cc(-c2ccco2)[n-]n1 ZINC000798919488 630122618 /nfs/dbraw/zinc/12/26/18/630122618.db2.gz DZBKOZSPEHSQEU-VIFPVBQESA-N -1 3 296.273 3.262 20 0 CGADHM O=C(OC[C@H]1CCC(F)(F)C1)c1cc(-c2ccco2)n[n-]1 ZINC000798919488 630122632 /nfs/dbraw/zinc/12/26/32/630122632.db2.gz DZBKOZSPEHSQEU-VIFPVBQESA-N -1 3 296.273 3.262 20 0 CGADHM CC(C)Cc1cc(NCc2ccc([O-])c(F)c2)ncn1 ZINC000865549186 630182523 /nfs/dbraw/zinc/18/25/23/630182523.db2.gz MGKXMAWKLNUHOS-UHFFFAOYSA-N -1 3 275.327 3.132 20 0 CGADHM C[C@H](COC(=O)c1cc(F)cc2[n-]nnc21)c1ccccc1 ZINC000800258878 630256775 /nfs/dbraw/zinc/25/67/75/630256775.db2.gz HCKHPOVCNOXBLI-SNVBAGLBSA-N -1 3 299.305 3.058 20 0 CGADHM C[C@H](COC(=O)c1cc(F)cc2nn[n-]c21)c1ccccc1 ZINC000800258878 630256776 /nfs/dbraw/zinc/25/67/76/630256776.db2.gz HCKHPOVCNOXBLI-SNVBAGLBSA-N -1 3 299.305 3.058 20 0 CGADHM C[C@H](COC(=O)c1cc(F)cc2n[n-]nc21)c1ccccc1 ZINC000800258878 630256778 /nfs/dbraw/zinc/25/67/78/630256778.db2.gz HCKHPOVCNOXBLI-SNVBAGLBSA-N -1 3 299.305 3.058 20 0 CGADHM Cc1cc([N-]C(=O)c2nc(-c3ccccc3)cs2)no1 ZINC000801112325 630325075 /nfs/dbraw/zinc/32/50/75/630325075.db2.gz PWGWAUIOVMIXDT-UHFFFAOYSA-N -1 3 285.328 3.359 20 0 CGADHM O=C(OCc1ccno1)c1cc2cc(Cl)sc2[n-]1 ZINC000811393872 631061314 /nfs/dbraw/zinc/06/13/14/631061314.db2.gz GFGDKOVPSFIFFN-UHFFFAOYSA-N -1 3 282.708 3.228 20 0 CGADHM O=C(Cc1ccc2ccccc2c1)[N-]OC/C=C\Cl ZINC000812401332 631246073 /nfs/dbraw/zinc/24/60/73/631246073.db2.gz YDVIAYSKYWPBLE-BAQGIRSFSA-N -1 3 275.735 3.183 20 0 CGADHM C[C@H](CC(=O)[N-]OC1CCC1)c1ccc(F)cc1F ZINC000812790090 631309359 /nfs/dbraw/zinc/30/93/59/631309359.db2.gz SSXBKUPPMXNWDT-SECBINFHSA-N -1 3 269.291 3.059 20 0 CGADHM CCc1ccc([C@H](C)CC(=O)[N-]OCCOC(C)C)cc1 ZINC000812808856 631318096 /nfs/dbraw/zinc/31/80/96/631318096.db2.gz LSXNCMLIBVOKNI-CQSZACIVSA-N -1 3 293.407 3.215 20 0 CGADHM COC(=O)c1cc(C(=O)Oc2ccc3ccccc3c2)c[n-]1 ZINC000814258471 631563673 /nfs/dbraw/zinc/56/36/73/631563673.db2.gz DYOOXYGFAWMDPO-UHFFFAOYSA-N -1 3 295.294 3.174 20 0 CGADHM O=C(CCc1ccc(-c2ccccc2)o1)[N-]OCC1CC1 ZINC000817339752 632127586 /nfs/dbraw/zinc/12/75/86/632127586.db2.gz WALYOWSAIHMVQV-UHFFFAOYSA-N -1 3 285.343 3.337 20 0 CGADHM Cc1ccccc1[C@H](C)CC(=O)[N-]OCCC1CC1 ZINC000817399395 632137409 /nfs/dbraw/zinc/13/74/09/632137409.db2.gz KCHWRWKHDOEUAZ-CYBMUJFWSA-N -1 3 261.365 3.337 20 0 CGADHM C[C@H](CC(=O)[N-]OCCC1CC1)c1ccccc1F ZINC000817403366 632138151 /nfs/dbraw/zinc/13/81/51/632138151.db2.gz FWUPWMBRHZKIGJ-LLVKDONJSA-N -1 3 265.328 3.167 20 0 CGADHM COc1ccc2cccc(CC(=O)[N-]OCCC3CC3)c2c1 ZINC000817416867 632146416 /nfs/dbraw/zinc/14/64/16/632146416.db2.gz YNPWWHMDHZOMJW-UHFFFAOYSA-N -1 3 299.370 3.239 20 0 CGADHM CCCC1CCC(NC(=O)c2ccc(N)cc2[O-])CC1 ZINC000817926903 632235079 /nfs/dbraw/zinc/23/50/79/632235079.db2.gz WBIAPRPOPGJHSS-UHFFFAOYSA-N -1 3 276.380 3.063 20 0 CGADHM CCC[C@]1(C)CCCN(C(=O)c2ccc(N)cc2[O-])C1 ZINC000817944950 632242315 /nfs/dbraw/zinc/24/23/15/632242315.db2.gz PYTFVTQHCTVRCC-MRXNPFEDSA-N -1 3 276.380 3.017 20 0 CGADHM CCC[C@H]1[C@@H](C)CCCN1C(=O)c1ccc(N)cc1[O-] ZINC000817954051 632248934 /nfs/dbraw/zinc/24/89/34/632248934.db2.gz AUVBKYQAADVOJC-FZMZJTMJSA-N -1 3 276.380 3.015 20 0 CGADHM CCCO[N-]C(=O)C12CC3C[C@@](C)(C1)C[C@](C)(C3)C2 ZINC000844083729 635817623 /nfs/dbraw/zinc/81/76/23/635817623.db2.gz SRBYEYDWLCYUPQ-PYCGDYPRSA-N -1 3 265.397 3.441 20 0 CGADHM CCCO[N-]C(=O)CCCSc1ccc(OC)cc1 ZINC000844087880 635819921 /nfs/dbraw/zinc/81/99/21/635819921.db2.gz FVAFTFCJXCWYBB-UHFFFAOYSA-N -1 3 283.393 3.025 20 0 CGADHM CC(=CC(=O)Nc1[nH][n-]c2cc(=O)ccc1-2)c1ccccc1 ZINC000820213583 632589861 /nfs/dbraw/zinc/58/98/61/632589861.db2.gz NELCTYQIHAQJMB-PKNBQFBNSA-N -1 3 293.326 3.311 20 0 CGADHM CC=C(C=CC(=O)Nc1[nH][n-]c2cc(=O)ccc1-2)CC ZINC000820213950 632590136 /nfs/dbraw/zinc/59/01/36/632590136.db2.gz SWLINKAQQPCSIV-ZVBUZHGDSA-N -1 3 271.320 3.120 20 0 CGADHM CC(C)(C)c1c[nH]c(Sc2cc(Cl)nc(=O)[n-]2)n1 ZINC000866034544 632982163 /nfs/dbraw/zinc/98/21/63/632982163.db2.gz LDEJQOMLXGXHRG-UHFFFAOYSA-N -1 3 284.772 3.007 20 0 CGADHM CSc1ccc([O-])c(C(=O)N[C@@H]2CC[C@@H](SC)C2)c1 ZINC000828931699 633669892 /nfs/dbraw/zinc/66/98/92/633669892.db2.gz ZSONKMACGJEGCK-NXEZZACHSA-N -1 3 297.445 3.128 20 0 CGADHM CC(C)(CC(F)(F)F)C(=O)[N-]OCCCC(F)(F)F ZINC000871217795 633731739 /nfs/dbraw/zinc/73/17/39/633731739.db2.gz TUXPSGIAIGUGLD-UHFFFAOYSA-N -1 3 295.223 3.355 20 0 CGADHM Cc1ccc(SCc2nc(C)cc(=O)[n-]2)s1 ZINC000830053095 633821594 /nfs/dbraw/zinc/82/15/94/633821594.db2.gz YSKOJZSDJCVTFX-UHFFFAOYSA-N -1 3 252.364 3.153 20 0 CGADHM C[C@H](N[C@@H](CO)c1cccc(F)c1)c1cccc([O-])c1F ZINC000872044361 633968174 /nfs/dbraw/zinc/96/81/74/633968174.db2.gz AKOOOQSDNFZLEX-HZMBPMFUSA-N -1 3 293.313 3.055 20 0 CGADHM Cc1nnc([C@H](C)N[C@H](C)c2cccc([O-])c2F)s1 ZINC000872062831 633985557 /nfs/dbraw/zinc/98/55/57/633985557.db2.gz QRYVHFITOSALGD-SFYZADRCSA-N -1 3 281.356 3.103 20 0 CGADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1c(F)cccc1Cl ZINC000831630726 633987731 /nfs/dbraw/zinc/98/77/31/633987731.db2.gz LHDJWUZTVSARCQ-SNVBAGLBSA-N -1 3 288.706 3.059 20 0 CGADHM O=C([N-]O[C@@H]1CCCCO1)Nc1c(F)cccc1Cl ZINC000831630726 633987735 /nfs/dbraw/zinc/98/77/35/633987735.db2.gz LHDJWUZTVSARCQ-SNVBAGLBSA-N -1 3 288.706 3.059 20 0 CGADHM C[C@@H](N[C@@H](C)c1cscn1)c1cccc([O-])c1F ZINC000872084033 634008934 /nfs/dbraw/zinc/00/89/34/634008934.db2.gz CSZIRJQIOWIGMF-BDAKNGLRSA-N -1 3 266.341 3.400 20 0 CGADHM Cc1c(Cl)ccc2c1CN(CC1(CC(=O)[O-])CC1)CC2 ZINC000872165716 634074098 /nfs/dbraw/zinc/07/40/98/634074098.db2.gz JLYLXSLLXACKSF-UHFFFAOYSA-N -1 3 293.794 3.261 20 0 CGADHM COCc1ccc(CNCc2ccc([O-])c(Cl)c2)o1 ZINC000873179204 634272412 /nfs/dbraw/zinc/27/24/12/634272412.db2.gz LVAYIQLPGVBVIO-UHFFFAOYSA-N -1 3 281.739 3.075 20 0 CGADHM CC1(CC(=O)OCc2cc(=O)[n-]c(-c3ccccc3)n2)CC1 ZINC000837669090 634962055 /nfs/dbraw/zinc/96/20/55/634962055.db2.gz RELGMOLRKBMJGT-UHFFFAOYSA-N -1 3 298.342 3.083 20 0 CGADHM CC(C)(C)CC(=O)[N-]OCc1ncccc1C(F)(F)F ZINC000842060764 635269564 /nfs/dbraw/zinc/26/95/64/635269564.db2.gz DZKFFFMATOHCSK-UHFFFAOYSA-N -1 3 290.285 3.084 20 0 CGADHM C[C@H](c1ccco1)N(C)Cc1nnc(-c2ccccc2[O-])o1 ZINC000878002461 635315255 /nfs/dbraw/zinc/31/52/55/635315255.db2.gz CGDRSXIMBHBRJU-LLVKDONJSA-N -1 3 299.330 3.228 20 0 CGADHM O=C([N-][C@H](c1c(F)cccc1F)C(F)(F)F)C1(F)CC1 ZINC000843576265 635710718 /nfs/dbraw/zinc/71/07/18/635710718.db2.gz XWUMTKLZLSLSAY-SECBINFHSA-N -1 3 297.198 3.187 20 0 CGADHM O=C(CC[C@H]1CCc2ccccc21)[N-]OCc1cccnc1 ZINC000879249127 635737067 /nfs/dbraw/zinc/73/70/67/635737067.db2.gz FNXKAHJEEAOKIW-MRXNPFEDSA-N -1 3 296.370 3.140 20 0 CGADHM CCON(C(=O)c1cc([O-])c2ccccc2c1)C(C)C ZINC000844074375 635811952 /nfs/dbraw/zinc/81/19/52/635811952.db2.gz QOAVOESWQVSYSV-UHFFFAOYSA-N -1 3 273.332 3.348 20 0 CGADHM C[C@@H]1SCC[C@@H]1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000844104768 635822971 /nfs/dbraw/zinc/82/29/71/635822971.db2.gz CZHOFECDUPKQLK-HZMBPMFUSA-N -1 3 287.384 3.169 20 0 CGADHM COc1ccc(CN2CCC[C@](C)(C(=O)[O-])C2)c(Cl)c1 ZINC000846275831 636170013 /nfs/dbraw/zinc/17/00/13/636170013.db2.gz WULMHWGRBDDVOZ-HNNXBMFYSA-N -1 3 297.782 3.035 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CCC[C@@]3(CC3(F)F)C2)c1 ZINC000846579807 636206518 /nfs/dbraw/zinc/20/65/18/636206518.db2.gz XGWJDHQOKUKMSE-OAHLLOKOSA-N -1 3 295.329 3.216 20 0 CGADHM C[C@H](Cc1ccc(F)cc1)C(=O)Nc1cccc([O-])c1F ZINC000129532161 636296848 /nfs/dbraw/zinc/29/68/48/636296848.db2.gz QMFDGCFSJIXBIL-SNVBAGLBSA-N -1 3 291.297 3.488 20 0 CGADHM C=C/C=C/CCO[N-]C(=O)CCCc1ccccc1 ZINC000882966752 636481010 /nfs/dbraw/zinc/48/10/10/636481010.db2.gz NNMIBIGIFAEYGB-ONEGZZNKSA-N -1 3 259.349 3.189 20 0 CGADHM O=C(CCC1CCCCC1)[N-]OCc1cnc(C2CC2)o1 ZINC000882967409 636481501 /nfs/dbraw/zinc/48/15/01/636481501.db2.gz GICMKIROJUNECA-UHFFFAOYSA-N -1 3 292.379 3.460 20 0 CGADHM F[C@@H]1CCc2ccccc2[C@@H]1[N-]c1nnc(C2CC2)o1 ZINC000882991600 636494101 /nfs/dbraw/zinc/49/41/01/636494101.db2.gz DRLDOWFSEBSNBG-OLZOCXBDSA-N -1 3 273.311 3.385 20 0 CGADHM [O-]c1coc2cc(OCC[C@@H]3CCCC3(F)F)ccc12 ZINC000883015160 636507081 /nfs/dbraw/zinc/50/70/81/636507081.db2.gz LFHRUWUOQYFNRI-JTQLQIEISA-N -1 3 282.286 3.466 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)C[C@@H]1OCc2cc(Cl)ccc21 ZINC000848121054 636532959 /nfs/dbraw/zinc/53/29/59/636532959.db2.gz UIPOPHQJMSTUKJ-HZMBPMFUSA-N -1 3 297.782 3.395 20 0 CGADHM [O-]c1cccc(CN[C@@H]2C[C@H](O)c3ccccc32)c1Cl ZINC000850372885 637036322 /nfs/dbraw/zinc/03/63/22/637036322.db2.gz APABTRSOWZZGSU-HIFRSBDPSA-N -1 3 289.762 3.314 20 0 CGADHM CCC1(C(=O)[N-]OC/C=C/Cl)CCC(F)(F)CC1 ZINC000854535063 638067567 /nfs/dbraw/zinc/06/75/67/638067567.db2.gz RETHFEDJESQNNE-FPYGCLRLSA-N -1 3 281.730 3.392 20 0 CGADHM O=C([N-]OC/C=C\Cl)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000854535044 638067952 /nfs/dbraw/zinc/06/79/52/638067952.db2.gz QMCOYZXEBLDNIK-UCOPNCLCSA-N -1 3 285.693 3.155 20 0 CGADHM O=C(N[C@@H]1C[C@H]2CCC[C@H]21)c1cc([O-])c2ccccc2c1 ZINC000889607654 638074341 /nfs/dbraw/zinc/07/43/41/638074341.db2.gz ZDGOJJZDLPGASA-XNRPHZJLSA-N -1 3 281.355 3.464 20 0 CGADHM C[C@H]1CSCCCN1C(=O)c1cc([O-])ccc1Cl ZINC000889924808 638137544 /nfs/dbraw/zinc/13/75/44/638137544.db2.gz SCOLARLDHBMUPI-VIFPVBQESA-N -1 3 285.796 3.013 20 0 CGADHM Cc1ccc(C(=O)N2CCCSC[C@H]2C2CC2)c([O-])c1 ZINC000888490707 638207413 /nfs/dbraw/zinc/20/74/13/638207413.db2.gz FBYMUBYILKEMDT-AWEZNQCLSA-N -1 3 291.416 3.058 20 0 CGADHM CC[C@@H]1CCC[C@H](C)N1C(=O)c1nnc2ccccc2c1[O-] ZINC000856273536 638333022 /nfs/dbraw/zinc/33/30/22/638333022.db2.gz VUJAEQXRIHQIJP-NWDGAFQWSA-N -1 3 299.374 3.129 20 0 CGADHM C[C@@H]1CC[C@@H](NC(=O)c2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000857184622 638468294 /nfs/dbraw/zinc/46/82/94/638468294.db2.gz BANTXWYONJQAAL-LDYMZIIASA-N -1 3 287.281 3.329 20 0 CGADHM CC(C)c1ncsc1C(=O)[N-]c1ccnc(F)c1F ZINC000857696538 638555221 /nfs/dbraw/zinc/55/52/21/638555221.db2.gz NLEFVZUXNJTDCU-UHFFFAOYSA-N -1 3 283.303 3.192 20 0 CGADHM Cc1noc(C(C)C)c1C(=O)[N-]c1ccnc(F)c1F ZINC000857698926 638557757 /nfs/dbraw/zinc/55/77/57/638557757.db2.gz RMFGWURCWKEQNM-UHFFFAOYSA-N -1 3 281.262 3.032 20 0 CGADHM CCc1nc(Sc2cc(Cl)nc(=O)[n-]2)sc1C ZINC000858604636 639000977 /nfs/dbraw/zinc/00/09/77/639000977.db2.gz NIBLYVQGWXMOIF-UHFFFAOYSA-N -1 3 287.797 3.314 20 0 CGADHM CC1(c2noc(-c3cc4c(cc3[O-])OCO4)n2)CCCC1 ZINC000858854234 639029495 /nfs/dbraw/zinc/02/94/95/639029495.db2.gz QSDDKDXPAKZGEI-UHFFFAOYSA-N -1 3 288.303 3.003 20 0 CGADHM C[C@@H](CC(=O)[N-]OC1CCCCC1)c1ccco1 ZINC000860993075 639482847 /nfs/dbraw/zinc/48/28/47/639482847.db2.gz CKIXQUBLMFDACJ-NSHDSACASA-N -1 3 251.326 3.154 20 0 CGADHM CCc1oc2ccccc2c1CC(=O)[N-]OC/C=C\Cl ZINC000861782682 639614096 /nfs/dbraw/zinc/61/40/96/639614096.db2.gz HIRCUYZANDZKNL-YVMONPNESA-N -1 3 293.750 3.338 20 0 CGADHM O=C(C[C@@H]1CC[C@@H](C2CC2)O1)Nc1cc(Cl)ccc1[O-] ZINC000935017036 639731399 /nfs/dbraw/zinc/73/13/99/639731399.db2.gz NDESMWPNWXHAKE-FZMZJTMJSA-N -1 3 295.766 3.332 20 0 CGADHM [O-]c1ccc(Cl)c(F)c1CNCc1ccoc1 ZINC000190851523 640271277 /nfs/dbraw/zinc/27/12/77/640271277.db2.gz PEJOJEJUNSYQMP-UHFFFAOYSA-N -1 3 255.676 3.068 20 0 CGADHM C/C(=C\C(=O)Nc1cc(Cl)ccc1[O-])C1CC1 ZINC000194627128 640545444 /nfs/dbraw/zinc/54/54/44/640545444.db2.gz YHHNXFZXTPFCAS-SOFGYWHQSA-N -1 3 251.713 3.340 20 0 CGADHM O=C([N-]c1c2nsnc2ccc1Cl)c1cscn1 ZINC000088128338 640614474 /nfs/dbraw/zinc/61/44/74/640614474.db2.gz JNSUKKMBNZMAPI-UHFFFAOYSA-N -1 3 296.764 3.054 20 0 CGADHM O=C([O-])CC[C@H]1CCCN(Cc2cc(Cl)cs2)C1 ZINC000093097127 640755347 /nfs/dbraw/zinc/75/53/47/640755347.db2.gz FWSFQLVMAHEQHO-SNVBAGLBSA-N -1 3 287.812 3.478 20 0 CGADHM COc1ccccc1[C@@H](C)NCc1cc(C(=O)[O-])cs1 ZINC000095004361 640807392 /nfs/dbraw/zinc/80/73/92/640807392.db2.gz NOYHDHJLNAKDDD-SNVBAGLBSA-N -1 3 291.372 3.306 20 0 CGADHM O=C([N-]c1cc(F)c(F)cc1F)c1ccnc(F)c1F ZINC000097866267 640880186 /nfs/dbraw/zinc/88/01/86/640880186.db2.gz LXEWDXZWXBQCPV-UHFFFAOYSA-N -1 3 288.175 3.029 20 0 CGADHM COc1cccc2[n-]c(-c3cc4ccccc4[nH]c3=O)nc21 ZINC001250645280 805746854 /nfs/dbraw/zinc/74/68/54/805746854.db2.gz JLKUMRWVVYWUTN-UHFFFAOYSA-N -1 3 291.310 3.492 20 0 CGADHM [O-]c1cnccc1-c1nc2c(cc(Cl)cc2F)[nH]1 ZINC001250858417 805789901 /nfs/dbraw/zinc/78/99/01/805789901.db2.gz XJLQEXUAXXHNLJ-UHFFFAOYSA-N -1 3 263.659 3.123 20 0 CGADHM CCOc1ccc2[nH]c(-c3cc(F)ccc3[O-])nc2c1 ZINC001250838239 805786232 /nfs/dbraw/zinc/78/62/32/805786232.db2.gz UWXUCSAYSMVOPT-UHFFFAOYSA-N -1 3 272.279 3.473 20 0 CGADHM CCn1c2ccc3ncccc3c2nc1-c1ccncc1[O-] ZINC001250856997 805787674 /nfs/dbraw/zinc/78/76/74/805787674.db2.gz AHLOUBJJKJASQC-UHFFFAOYSA-N -1 3 290.326 3.372 20 0 CGADHM Cc1ccc2[nH]c(-c3ccncc3[O-])nc2c1Cl ZINC001250858300 805789344 /nfs/dbraw/zinc/78/93/44/805789344.db2.gz UXDCCYSUDDFERH-UHFFFAOYSA-N -1 3 259.696 3.292 20 0 CGADHM CC(C)Cn1c2ccccc2nc1-c1ccncc1[O-] ZINC001250858501 805790050 /nfs/dbraw/zinc/79/00/50/805790050.db2.gz ZFZWYPLGXFICDA-UHFFFAOYSA-N -1 3 267.332 3.460 20 0 CGADHM CCCOc1ccc(Nc2cc(=O)[n-]c(C)n2)cc1F ZINC001211665783 814929349 /nfs/dbraw/zinc/92/93/49/814929349.db2.gz FZQZMHCRRULWPP-UHFFFAOYSA-N -1 3 277.299 3.162 20 0 CGADHM Cc1cccc([O-])c1C(=O)NCC(F)(F)c1ccccc1 ZINC001160441756 806272285 /nfs/dbraw/zinc/27/22/85/806272285.db2.gz SSWDMJXQUJMZDS-UHFFFAOYSA-N -1 3 291.297 3.222 20 0 CGADHM [O-]c1cncc(-c2nnc(Cc3cccc(Cl)c3)o2)c1 ZINC001254463537 806411197 /nfs/dbraw/zinc/41/11/97/806411197.db2.gz KCPJJVMNZCSFEY-UHFFFAOYSA-N -1 3 287.706 3.081 20 0 CGADHM C[C@H](NC(=O)c1ccc(O)cc1[O-])[C@@H]1CCC[C@@H](C)C1 ZINC001161933702 806486090 /nfs/dbraw/zinc/48/60/90/806486090.db2.gz QRWROPCBPJHWMS-GRYCIOLGSA-N -1 3 277.364 3.042 20 0 CGADHM S=c1ccc(N[C@@H](c2ccccc2)C2CC2)n[n-]1 ZINC001161956388 806489863 /nfs/dbraw/zinc/48/98/63/806489863.db2.gz XVKYBHNTRLWLEH-AWEZNQCLSA-N -1 3 257.362 3.329 20 0 CGADHM [O-]c1cc(Br)cc(-c2nnc(C3CCC3)o2)c1 ZINC001255247076 806584314 /nfs/dbraw/zinc/58/43/14/806584314.db2.gz WWKADMAGXVBSFF-UHFFFAOYSA-N -1 3 295.136 3.472 20 0 CGADHM Cc1ccc(NC[C@@H]2CCC(F)(F)C2)cc1-c1nnn[n-]1 ZINC001162654592 806640373 /nfs/dbraw/zinc/64/03/73/806640373.db2.gz CGLKUMYNCBAUCN-SNVBAGLBSA-N -1 3 293.321 3.022 20 0 CGADHM Cc1ccc(NC[C@@H]2CCC(F)(F)C2)cc1-c1nn[n-]n1 ZINC001162654592 806640383 /nfs/dbraw/zinc/64/03/83/806640383.db2.gz CGLKUMYNCBAUCN-SNVBAGLBSA-N -1 3 293.321 3.022 20 0 CGADHM Cc1cccc([O-])c1C(=O)N[C@@H]1C[C@]1(F)c1ccccc1 ZINC001162661430 806642434 /nfs/dbraw/zinc/64/24/34/806642434.db2.gz KYXCSKXBBBPBMA-PBHICJAKSA-N -1 3 285.318 3.068 20 0 CGADHM CCCCc1ccccc1NC(=S)[N-]C(=O)OCC ZINC000167227618 799086216 /nfs/dbraw/zinc/08/62/16/799086216.db2.gz LAEFBCYUEBPRJC-UHFFFAOYSA-N -1 3 280.393 3.472 20 0 CGADHM CCCCC[C@@H](C)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC000315296449 799235213 /nfs/dbraw/zinc/23/52/13/799235213.db2.gz IHGGBNUJIFHKHF-NXEZZACHSA-N -1 3 270.398 3.461 20 0 CGADHM C[C@@H](NC1CCC(F)(F)CC1)c1ncc(C(=O)[O-])s1 ZINC000315421692 799236279 /nfs/dbraw/zinc/23/62/79/799236279.db2.gz WUXIANHZPNDCOE-SSDOTTSWSA-N -1 3 290.335 3.070 20 0 CGADHM Cc1n[n-]c(=NCC2(C)CCCCCC2)n1C1CC1 ZINC000340698299 799286691 /nfs/dbraw/zinc/28/66/91/799286691.db2.gz XPXXWOMVTDRKFH-UHFFFAOYSA-N -1 3 262.401 3.116 20 0 CGADHM O=C([N-]c1cc(F)c(F)cc1F)c1csc(Cl)n1 ZINC000692689258 799796414 /nfs/dbraw/zinc/79/64/14/799796414.db2.gz CZWCYVXYKIITAH-UHFFFAOYSA-N -1 3 292.669 3.466 20 0 CGADHM O=C(C[C@@H]1CCCC1(F)F)[N-]OCc1ccccc1 ZINC000713922161 800114487 /nfs/dbraw/zinc/11/44/87/800114487.db2.gz QXINISJWIBZDHF-LBPRGKRZSA-N -1 3 269.291 3.060 20 0 CGADHM Cc1cccc([O-])c1C(=O)NCC1C[C@H]2CC[C@@H](C1)S2 ZINC000716006863 800159913 /nfs/dbraw/zinc/15/99/13/800159913.db2.gz NJCBLHMCLCROHM-YHWZYXNKSA-N -1 3 291.416 3.105 20 0 CGADHM CCc1ccc(-c2nc([C@@]3(C)CCCO3)no2)c([O-])c1 ZINC000809454329 800438231 /nfs/dbraw/zinc/43/82/31/800438231.db2.gz FRFLLRJQBAGJFN-OAHLLOKOSA-N -1 3 274.320 3.030 20 0 CGADHM CCCCCCc1nnc(-c2cc(O)ccc2[O-])o1 ZINC001256390416 806879965 /nfs/dbraw/zinc/87/99/65/806879965.db2.gz BZUNUERQBKJRIZ-UHFFFAOYSA-N -1 3 262.309 3.271 20 0 CGADHM C[C@@H]1C[C@@H]1c1nnc(-c2ccc([O-])c3ncccc23)o1 ZINC001256649913 806940165 /nfs/dbraw/zinc/94/01/65/806940165.db2.gz XZQAFVNJYRMLSJ-KCJUWKMLSA-N -1 3 267.288 3.114 20 0 CGADHM CC[C@](C)(CNCc1csc(C(C)(C)C)n1)C(=O)[O-] ZINC001116812297 802413954 /nfs/dbraw/zinc/41/39/54/802413954.db2.gz CEQCEAGSKPYMSX-CQSZACIVSA-N -1 3 284.425 3.031 20 0 CGADHM CC(C)(C)O[N-]C(=O)c1c(F)cc(C(F)(F)F)cc1F ZINC001117679272 802477038 /nfs/dbraw/zinc/47/70/38/802477038.db2.gz WERIPYCLCBJUMC-UHFFFAOYSA-N -1 3 297.223 3.444 20 0 CGADHM O=C([O-])[C@@H](CC1CC1)NCc1cc(Cl)sc1Cl ZINC001119001032 802626601 /nfs/dbraw/zinc/62/66/01/802626601.db2.gz MLNXULMQZXAQPM-MRVPVSSYSA-N -1 3 294.203 3.398 20 0 CGADHM Cc1sc(Cl)nc1C(=O)[N-]c1cnoc1C(C)C ZINC001120690601 802762352 /nfs/dbraw/zinc/76/23/52/802762352.db2.gz CBRDKZCLGPXZQA-UHFFFAOYSA-N -1 3 285.756 3.469 20 0 CGADHM Cc1ccc(OC(F)F)c(CNc2nc(C)cc(=O)[n-]2)c1 ZINC001120784223 802777466 /nfs/dbraw/zinc/77/74/66/802777466.db2.gz IEDGTMHPBSUEON-UHFFFAOYSA-N -1 3 295.289 3.013 20 0 CGADHM O=C([N-]c1c(Cl)cncc1Cl)c1ccc(Cl)o1 ZINC001126918720 803120457 /nfs/dbraw/zinc/12/04/57/803120457.db2.gz FQGDHCDJBFEENY-UHFFFAOYSA-N -1 3 291.521 3.309 20 0 CGADHM O=C1CCCc2cc(-c3cccc(-c4nnn[n-]4)c3)ccc21 ZINC001243992773 803126940 /nfs/dbraw/zinc/12/69/40/803126940.db2.gz SESOXQWDKCAFLG-UHFFFAOYSA-N -1 3 290.326 3.053 20 0 CGADHM O=C1CCCc2cc(-c3cccc(-c4nn[n-]n4)c3)ccc21 ZINC001243992773 803126943 /nfs/dbraw/zinc/12/69/43/803126943.db2.gz SESOXQWDKCAFLG-UHFFFAOYSA-N -1 3 290.326 3.053 20 0 CGADHM Fc1ccc(-c2ccc(=S)[n-]n2)c(F)c1Cl ZINC001244035974 803154578 /nfs/dbraw/zinc/15/45/78/803154578.db2.gz CQIFTQCBKDYRCG-UHFFFAOYSA-N -1 3 258.680 3.364 20 0 CGADHM Cc1ccc(F)c(C(=O)[N-]c2ccnc(F)c2F)c1F ZINC001131210269 803316385 /nfs/dbraw/zinc/31/63/85/803316385.db2.gz GVBYQNMOJTYXEX-UHFFFAOYSA-N -1 3 284.212 3.199 20 0 CGADHM [O-]c1ccc(OC(F)(F)F)cc1-c1ncnc2c1CCC2 ZINC001244457320 803379343 /nfs/dbraw/zinc/37/93/43/803379343.db2.gz ZKCRLZJEDZRYTA-UHFFFAOYSA-N -1 3 296.248 3.237 20 0 CGADHM O=S1(=O)Cc2cccc(-c3ccc(Cl)cc3[O-])c2C1 ZINC001244469722 803386099 /nfs/dbraw/zinc/38/60/99/803386099.db2.gz QAPSGAWIOKZAGQ-UHFFFAOYSA-N -1 3 294.759 3.141 20 0 CGADHM COc1ccc2ncnc(-c3cc(C)c(F)c([O-])c3)c2c1 ZINC001244505483 803409980 /nfs/dbraw/zinc/40/99/80/803409980.db2.gz GBSBUUCXGYHRRV-UHFFFAOYSA-N -1 3 284.290 3.459 20 0 CGADHM Cc1cc(-c2ncc(OCC3CC3)cn2)cc([O-])c1F ZINC001244506287 803410273 /nfs/dbraw/zinc/41/02/73/803410273.db2.gz LLGISWVJZYBJMM-UHFFFAOYSA-N -1 3 274.295 3.086 20 0 CGADHM COc1ncc(-c2cc(C)c(F)c([O-])c2)cc1F ZINC001244516701 803413977 /nfs/dbraw/zinc/41/39/77/803413977.db2.gz CAMJEONLXWAHLO-UHFFFAOYSA-N -1 3 251.232 3.049 20 0 CGADHM Cc1cc(-c2cccc3nccnc32)cc([O-])c1F ZINC001244517686 803414202 /nfs/dbraw/zinc/41/42/02/803414202.db2.gz MTZHGLYTMPIPBH-UHFFFAOYSA-N -1 3 254.264 3.450 20 0 CGADHM Cc1cc(-c2ccnc3ncccc23)cc([O-])c1F ZINC001244524976 803417717 /nfs/dbraw/zinc/41/77/17/803417717.db2.gz JUIRVHHCTZGPCF-UHFFFAOYSA-N -1 3 254.264 3.450 20 0 CGADHM Cc1cc(-c2ccc(-c3ncn(C)n3)cc2)cc([O-])c1F ZINC001244525990 803418584 /nfs/dbraw/zinc/41/85/84/803418584.db2.gz WOLYWHSVFYYSAC-UHFFFAOYSA-N -1 3 283.306 3.302 20 0 CGADHM Cc1cc(-c2cnc3c(c2)CN(C)C3=O)cc(Cl)c1[O-] ZINC001244537172 803423887 /nfs/dbraw/zinc/42/38/87/803423887.db2.gz IPTKRTIVFLIBFN-UHFFFAOYSA-N -1 3 288.734 3.002 20 0 CGADHM CNC(=O)Cc1ccccc1-c1cc(C)c([O-])c(Cl)c1 ZINC001244537156 803424346 /nfs/dbraw/zinc/42/43/46/803424346.db2.gz IHLFXFREYWCIHG-UHFFFAOYSA-N -1 3 289.762 3.310 20 0 CGADHM COC(=O)Cc1cc(-c2cc(C)c([O-])c(Cl)c2)ccn1 ZINC001244550660 803433649 /nfs/dbraw/zinc/43/36/49/803433649.db2.gz HMYKOQGFBVSJOV-UHFFFAOYSA-N -1 3 291.734 3.132 20 0 CGADHM Cc1c(O)cccc1-c1cc(C(F)(F)F)[n-]c(=S)n1 ZINC001244957170 803591942 /nfs/dbraw/zinc/59/19/42/803591942.db2.gz JZZUOKKULRZELM-UHFFFAOYSA-N -1 3 286.278 3.465 20 0 CGADHM [O-]c1ccc(Cl)cc1-c1cnc(N2CCCCC2)nc1 ZINC001245050431 803622118 /nfs/dbraw/zinc/62/21/18/803622118.db2.gz HVJCHCJRDZWRGU-UHFFFAOYSA-N -1 3 289.766 3.493 20 0 CGADHM O=c1c(-c2cc(Cl)ccc2[O-])cccn1-c1ccncc1 ZINC001245053012 803624131 /nfs/dbraw/zinc/62/41/31/803624131.db2.gz QBTZUIAMVLBQSW-UHFFFAOYSA-N -1 3 298.729 3.259 20 0 CGADHM COc1ccc2ncnc(-c3ccc([O-])cc3Cl)c2n1 ZINC001245080295 803635409 /nfs/dbraw/zinc/63/54/09/803635409.db2.gz YSJZLORDEYMESO-UHFFFAOYSA-N -1 3 287.706 3.059 20 0 CGADHM CCOC(=O)c1c(F)cncc1-c1ccc([O-])cc1Cl ZINC001245082692 803637035 /nfs/dbraw/zinc/63/70/35/803637035.db2.gz YSRFRMFJLQDPPF-UHFFFAOYSA-N -1 3 295.697 3.423 20 0 CGADHM CCO[C@H]1C[C@@H](NC(=O)c2ccccc2[O-])C1(CC)CC ZINC001137062658 803678127 /nfs/dbraw/zinc/67/81/27/803678127.db2.gz DKRQWNDGFSECJQ-CABCVRRESA-N -1 3 291.391 3.106 20 0 CGADHM COc1cc(Cl)cnc1Nc1ccc([O-])c(F)c1F ZINC001212003040 814964341 /nfs/dbraw/zinc/96/43/41/814964341.db2.gz ORQIBHHBZYBLKC-UHFFFAOYSA-N -1 3 286.665 3.471 20 0 CGADHM Cc1cc(F)c(-c2ccc(F)c(-c3nnn[n-]3)c2)cc1F ZINC001245543532 803802035 /nfs/dbraw/zinc/80/20/35/803802035.db2.gz ILGQDTMYEXROKP-UHFFFAOYSA-N -1 3 290.248 3.259 20 0 CGADHM Cc1cc(F)c(-c2ccc(F)c(-c3nn[n-]n3)c2)cc1F ZINC001245543532 803802043 /nfs/dbraw/zinc/80/20/43/803802043.db2.gz ILGQDTMYEXROKP-UHFFFAOYSA-N -1 3 290.248 3.259 20 0 CGADHM [O-]c1ccc(Nc2ccc3nnsc3c2)c(F)c1F ZINC001212013881 814967066 /nfs/dbraw/zinc/96/70/66/814967066.db2.gz NZEAFCBURVESCM-UHFFFAOYSA-N -1 3 279.271 3.419 20 0 CGADHM NC(=O)c1ccc(Cl)cc1Nc1ccc([O-])c(F)c1F ZINC001212009248 814967246 /nfs/dbraw/zinc/96/72/46/814967246.db2.gz KRXTUWHCGSVSCZ-UHFFFAOYSA-N -1 3 298.676 3.166 20 0 CGADHM CC(=O)Nc1ccc(O)c(Nc2ccc([O-])c(F)c2F)c1 ZINC001212016143 814967857 /nfs/dbraw/zinc/96/78/57/814967857.db2.gz ABKKCVHJRWNYDD-UHFFFAOYSA-N -1 3 294.257 3.078 20 0 CGADHM Fc1ccc2cc(-c3ccc(-c4nnn[n-]4)cc3)[nH]c2c1 ZINC001245589716 803836625 /nfs/dbraw/zinc/83/66/25/803836625.db2.gz YNVVQWROENPHOA-UHFFFAOYSA-N -1 3 279.278 3.154 20 0 CGADHM Fc1ccc2cc(-c3ccc(-c4nn[n-]n4)cc3)[nH]c2c1 ZINC001245589716 803836634 /nfs/dbraw/zinc/83/66/34/803836634.db2.gz YNVVQWROENPHOA-UHFFFAOYSA-N -1 3 279.278 3.154 20 0 CGADHM [O-]c1cc(F)cnc1Nc1cccc(OC(F)F)c1 ZINC001212058717 814971316 /nfs/dbraw/zinc/97/13/16/814971316.db2.gz PWTLUSCXYXRXAA-UHFFFAOYSA-N -1 3 270.210 3.271 20 0 CGADHM CCOC(=O)c1cccc(-c2c([O-])cccc2F)c1 ZINC001245653864 803883351 /nfs/dbraw/zinc/88/33/51/803883351.db2.gz ALFDBXOVDCNJRN-UHFFFAOYSA-N -1 3 260.264 3.375 20 0 CGADHM COC(=O)c1c(F)c(-c2c([O-])cccc2F)ccc1OC ZINC001245653241 803883628 /nfs/dbraw/zinc/88/36/28/803883628.db2.gz AZIUOGLVZAHJEQ-UHFFFAOYSA-N -1 3 294.253 3.133 20 0 CGADHM CC(=O)Nc1ccc(-c2c([O-])cccc2F)cc1F ZINC001245654403 803885976 /nfs/dbraw/zinc/88/59/76/803885976.db2.gz QWIMRSPOXQBPEC-UHFFFAOYSA-N -1 3 263.243 3.296 20 0 CGADHM COc1ccc(-c2c([O-])cccc2F)c(OC)c1F ZINC001245654994 803886430 /nfs/dbraw/zinc/88/64/30/803886430.db2.gz NSTHHCIHHJTJLU-UHFFFAOYSA-N -1 3 266.243 3.355 20 0 CGADHM COC(=O)c1nc2ccc(-c3c([O-])cccc3F)cc2o1 ZINC001245655733 803888175 /nfs/dbraw/zinc/88/81/75/803888175.db2.gz LMVJBVCNHKPWDG-UHFFFAOYSA-N -1 3 287.246 3.126 20 0 CGADHM CC1(C)CNc2cc(-c3c([O-])cccc3F)cnc21 ZINC001245656101 803891027 /nfs/dbraw/zinc/89/10/27/803891027.db2.gz GGCMRHGPWOAQRB-UHFFFAOYSA-N -1 3 258.296 3.296 20 0 CGADHM CCOC(=O)c1ccc(OC)c(-c2c([O-])cccc2F)c1 ZINC001245658062 803891593 /nfs/dbraw/zinc/89/15/93/803891593.db2.gz YPUQQSHILKWFCF-UHFFFAOYSA-N -1 3 290.290 3.384 20 0 CGADHM Cc1ccc(O)c(-n2[n-]c(Cc3ccccc3)cc2=O)c1 ZINC001245924406 804052955 /nfs/dbraw/zinc/05/29/55/804052955.db2.gz FKCCMNPJVJXGBX-UHFFFAOYSA-N -1 3 280.327 3.183 20 0 CGADHM O=c1cc(-c2nc(-c3ccc4ccccc4c3)no2)nc[n-]1 ZINC001212361062 815010770 /nfs/dbraw/zinc/01/07/70/815010770.db2.gz VTXPFUIKVWDCAU-UHFFFAOYSA-N -1 3 290.282 3.052 20 0 CGADHM [O-]c1cc(Cl)c(CN2CC(F)(F)C2)c(Cl)c1 ZINC001142106104 804696734 /nfs/dbraw/zinc/69/67/34/804696734.db2.gz ZHXYVRUYPVIXCR-UHFFFAOYSA-N -1 3 268.090 3.150 20 0 CGADHM CC(C)C1(C(=O)Nc2ccc(F)c([O-])c2)CCC1 ZINC001142651438 804748144 /nfs/dbraw/zinc/74/81/44/804748144.db2.gz WZMVJHSXSYDHOH-UHFFFAOYSA-N -1 3 251.301 3.296 20 0 CGADHM O=c1cc[nH]c(Cl)c1Nc1cc(F)cc(F)c1[O-] ZINC001212481771 815036662 /nfs/dbraw/zinc/03/66/62/815036662.db2.gz IOOXXOZYKQUYHD-UHFFFAOYSA-N -1 3 272.638 3.168 20 0 CGADHM CCCO[N-]C(=O)Cc1coc2c1ccc(Cl)c2C ZINC001143265273 804830844 /nfs/dbraw/zinc/83/08/44/804830844.db2.gz DBOWQZPTMPMGQR-UHFFFAOYSA-N -1 3 281.739 3.395 20 0 CGADHM [O-]c1c(F)cc(Nc2cc(F)cc(F)c2O)cc1F ZINC001212487416 815037884 /nfs/dbraw/zinc/03/78/84/815037884.db2.gz JYSWFFILFWMOND-UHFFFAOYSA-N -1 3 273.185 3.398 20 0 CGADHM CCc1cccc(C(=O)Nc2cc3cc[nH]c3cn2)c1[O-] ZINC001144140038 804943365 /nfs/dbraw/zinc/94/33/65/804943365.db2.gz RMVHLGJUTBLMOK-UHFFFAOYSA-N -1 3 281.315 3.083 20 0 CGADHM [O-]c1cc(F)c(CN2CC[C@H](c3ccccn3)C2)c(F)c1 ZINC001144554775 805004089 /nfs/dbraw/zinc/00/40/89/805004089.db2.gz HGBCLDKPHSVPDK-NSHDSACASA-N -1 3 290.313 3.055 20 0 CGADHM CC[C@H]1CCCN(Cc2c(F)cc([O-])cc2F)C1 ZINC001144560293 805006299 /nfs/dbraw/zinc/00/62/99/805006299.db2.gz ZLJLDVACSGDYRR-JTQLQIEISA-N -1 3 255.308 3.292 20 0 CGADHM O=C([O-])c1ccsc1CN1CCC[C@@H](C(F)(F)F)C1 ZINC001144669954 805030383 /nfs/dbraw/zinc/03/03/83/805030383.db2.gz CPSHJMJVECITOD-MRVPVSSYSA-N -1 3 293.310 3.221 20 0 CGADHM Cc1scc(C(=O)Nc2ccc3[nH][n-]c(=O)c3c2)c1C ZINC001147521598 805135343 /nfs/dbraw/zinc/13/53/43/805135343.db2.gz IRHJWZQOPWLKBQ-UHFFFAOYSA-N -1 3 287.344 3.199 20 0 CGADHM CC(C)CC1(C(=O)[N-]OCC2CCC2)CCCC1 ZINC001148106928 805163904 /nfs/dbraw/zinc/16/39/04/805163904.db2.gz JGAHYMAMHZPELM-UHFFFAOYSA-N -1 3 253.386 3.441 20 0 CGADHM Cc1n[nH]c2cc(NC(=O)c3ccc(C)cc3[O-])cc(F)c12 ZINC001148499727 805191081 /nfs/dbraw/zinc/19/10/81/805191081.db2.gz AJIXBWYQYGRVHO-UHFFFAOYSA-N -1 3 299.305 3.277 20 0 CGADHM Cc1[nH]nc2cc(NC(=O)c3ccc(C)cc3[O-])cc(F)c12 ZINC001148499727 805191085 /nfs/dbraw/zinc/19/10/85/805191085.db2.gz AJIXBWYQYGRVHO-UHFFFAOYSA-N -1 3 299.305 3.277 20 0 CGADHM CC(=O)c1cc(C(=O)NC[C@H]2CCCC[C@H]2C)ccc1[O-] ZINC001148664639 805204120 /nfs/dbraw/zinc/20/41/20/805204120.db2.gz QZEYSLDHCWIHSC-BXUZGUMPSA-N -1 3 289.375 3.151 20 0 CGADHM C[C@@H]1CCCN(Cc2ccc(F)c(C(=O)[O-])c2F)CC1 ZINC001249758789 805235850 /nfs/dbraw/zinc/23/58/50/805235850.db2.gz DCWAJAJJNMEJQV-SNVBAGLBSA-N -1 3 283.318 3.285 20 0 CGADHM O=C([O-])c1c(F)ccc(CN2CCC[C@H]3CCC[C@@H]32)c1F ZINC001249775896 805241343 /nfs/dbraw/zinc/24/13/43/805241343.db2.gz GMPQBRLQGPVRAL-MFKMUULPSA-N -1 3 295.329 3.428 20 0 CGADHM Cc1c2cc(C)ccc2oc1C(=O)Nc1cncc([O-])c1 ZINC001150771392 805268508 /nfs/dbraw/zinc/26/85/08/805268508.db2.gz QBTKLKNSTHUIRI-UHFFFAOYSA-N -1 3 282.299 3.403 20 0 CGADHM O=C(Nc1cc([O-])cc(Cl)c1)c1cnc2cc[nH]c2c1 ZINC001150906991 805272669 /nfs/dbraw/zinc/27/26/69/805272669.db2.gz NSUUIHWJZUEGHD-UHFFFAOYSA-N -1 3 287.706 3.174 20 0 CGADHM Cc1nc2ccc(C(=O)Nc3ccc(F)c([O-])c3)cc2o1 ZINC001152117261 805335355 /nfs/dbraw/zinc/33/53/55/805335355.db2.gz WKVYZZPGNZJUKH-UHFFFAOYSA-N -1 3 286.262 3.233 20 0 CGADHM Cc1cc(F)c(F)c(-c2noc(-c3ccc([O-])cn3)n2)c1 ZINC001212557981 815067985 /nfs/dbraw/zinc/06/79/85/815067985.db2.gz LKZYRIVUQBIFRQ-UHFFFAOYSA-N -1 3 289.241 3.091 20 0 CGADHM Cc1ccc(C(=O)N[C@@H](CF)c2ccc(F)cc2)c([O-])c1 ZINC001152357283 805346339 /nfs/dbraw/zinc/34/63/39/805346339.db2.gz OXXTUTXZPZLMCH-AWEZNQCLSA-N -1 3 291.297 3.280 20 0 CGADHM COc1ccc(C(=O)NCC2(C)CCCCCC2)c([O-])c1 ZINC001152556122 805352880 /nfs/dbraw/zinc/35/28/80/805352880.db2.gz ZYYNEBDBALPRAL-UHFFFAOYSA-N -1 3 291.391 3.491 20 0 CGADHM Cc1cccc(C)c1NC(=O)Cc1c(F)ccc([O-])c1F ZINC001250004260 805359607 /nfs/dbraw/zinc/35/96/07/805359607.db2.gz AZKZJOSRRNEEPS-UHFFFAOYSA-N -1 3 291.297 3.468 20 0 CGADHM CC(=O)c1ccc(C(=O)NC/C=C\c2ccccc2)cc1[O-] ZINC001152828588 805370951 /nfs/dbraw/zinc/37/09/51/805370951.db2.gz DMMZACHGBXRREO-YVMONPNESA-N -1 3 295.338 3.038 20 0 CGADHM Cc1c[nH]c(=O)cc1Nc1cc(Cl)c([O-])cc1F ZINC001250020155 805372619 /nfs/dbraw/zinc/37/26/19/805372619.db2.gz MVJXTKRVRDILMD-UHFFFAOYSA-N -1 3 268.675 3.337 20 0 CGADHM Fc1ccc(OCCCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001250115214 805424322 /nfs/dbraw/zinc/42/43/22/805424322.db2.gz XFAGFHWRBMHMAJ-UHFFFAOYSA-N -1 3 298.321 3.017 20 0 CGADHM Fc1ccc(OCCCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001250115214 805424328 /nfs/dbraw/zinc/42/43/28/805424328.db2.gz XFAGFHWRBMHMAJ-UHFFFAOYSA-N -1 3 298.321 3.017 20 0 CGADHM COc1nc(Cl)cnc1Nc1ccc(Cl)c([O-])c1 ZINC001212589579 815078147 /nfs/dbraw/zinc/07/81/47/815078147.db2.gz SNDALYXKKYIFDI-UHFFFAOYSA-N -1 3 286.118 3.241 20 0 CGADHM COc1nc(OC)c(Nc2cc(F)c([O-])cc2F)cc1C ZINC001250188550 805476855 /nfs/dbraw/zinc/47/68/55/805476855.db2.gz XSLIWBIPULZEIY-UHFFFAOYSA-N -1 3 296.273 3.135 20 0 CGADHM COc1c(F)c(Cl)ccc1Nc1ncc(F)cc1[O-] ZINC001250192574 805480747 /nfs/dbraw/zinc/48/07/47/805480747.db2.gz VTIGTLQSKWDJEC-UHFFFAOYSA-N -1 3 286.665 3.471 20 0 CGADHM CC(=O)Nc1cc(Nc2ccc(Cl)c([O-])c2)ccn1 ZINC001212589544 815079064 /nfs/dbraw/zinc/07/90/64/815079064.db2.gz QYCQJYVVEBLCPY-UHFFFAOYSA-N -1 3 277.711 3.143 20 0 CGADHM CNC(=O)Cc1cccc(Nc2ccc(Cl)c([O-])c2)c1 ZINC001212593474 815079716 /nfs/dbraw/zinc/07/97/16/815079716.db2.gz STFWRLUIUQJVDG-UHFFFAOYSA-N -1 3 290.750 3.078 20 0 CGADHM CNC(=O)Cc1ccc(Nc2ccc(Cl)c([O-])c2)cc1 ZINC001212592381 815079930 /nfs/dbraw/zinc/07/99/30/815079930.db2.gz NBIQDUGZSWXTNV-UHFFFAOYSA-N -1 3 290.750 3.078 20 0 CGADHM NC(=O)c1cccc(F)c1Nc1ccc(Cl)c([O-])c1 ZINC001212595372 815080762 /nfs/dbraw/zinc/08/07/62/815080762.db2.gz PZDMFMUVRHNAJB-UHFFFAOYSA-N -1 3 280.686 3.027 20 0 CGADHM Cc1csc(NC(=O)c2nc3nc(Cl)ccc3[n-]2)c1 ZINC001155170923 805548254 /nfs/dbraw/zinc/54/82/54/805548254.db2.gz OJIAVHJOVLTJGJ-UHFFFAOYSA-N -1 3 292.751 3.234 20 0 CGADHM Cc1csc(NC(=O)c2nc3ccc(Cl)[n-]c-3n2)c1 ZINC001155170923 805548262 /nfs/dbraw/zinc/54/82/62/805548262.db2.gz OJIAVHJOVLTJGJ-UHFFFAOYSA-N -1 3 292.751 3.234 20 0 CGADHM COCCCn1c(=O)[n-]nc1S[C@H](C)C1CCCCC1 ZINC001165423864 807003419 /nfs/dbraw/zinc/00/34/19/807003419.db2.gz TVZXRURUVIZDMO-LLVKDONJSA-N -1 3 299.440 3.081 20 0 CGADHM [O-]c1cc(F)cnc1Nc1ccc(C(F)(F)F)cc1O ZINC001212632322 815090192 /nfs/dbraw/zinc/09/01/92/815090192.db2.gz TWNQWGFRAYTLRI-UHFFFAOYSA-N -1 3 288.200 3.394 20 0 CGADHM CC[C@@H](N[C@H](C)c1nc(C)cc(=O)[n-]1)c1ccc(F)cc1 ZINC001168370675 807397242 /nfs/dbraw/zinc/39/72/42/807397242.db2.gz VFEZHAFHBUJKLB-BXUZGUMPSA-N -1 3 289.354 3.432 20 0 CGADHM Cc1ccccc1Cc1nnc(-c2cc(O)ccc2[O-])o1 ZINC001258454814 807460422 /nfs/dbraw/zinc/46/04/22/807460422.db2.gz AFUQSIWDIGQXBZ-UHFFFAOYSA-N -1 3 282.299 3.047 20 0 CGADHM COc1ccc(NCc2ncccc2[O-])cc1C(F)(F)F ZINC001169731265 807699619 /nfs/dbraw/zinc/69/96/19/807699619.db2.gz LNCPAGCKRGIDCW-UHFFFAOYSA-N -1 3 298.264 3.427 20 0 CGADHM [O-]c1cccnc1CNc1cccc2[nH]cc(F)c21 ZINC001169731825 807699847 /nfs/dbraw/zinc/69/98/47/807699847.db2.gz HUQZZKFBHPGXJB-UHFFFAOYSA-N -1 3 257.268 3.020 20 0 CGADHM Cc1c[nH]c2c1cccc2NCc1ncccc1[O-] ZINC001169733316 807701300 /nfs/dbraw/zinc/70/13/00/807701300.db2.gz UAZZZPZQQVERNO-UHFFFAOYSA-N -1 3 253.305 3.189 20 0 CGADHM CC[C@@H](C)S(=O)(=O)[N-]c1cc2ccccc2cc1O ZINC001260738773 807702266 /nfs/dbraw/zinc/70/22/66/807702266.db2.gz QNSDXQWCSBWXHW-SNVBAGLBSA-N -1 3 279.361 3.086 20 0 CGADHM Cc1cccc(S(=O)(=O)[N-]c2cc(F)ccc2F)c1C ZINC001260992038 807708559 /nfs/dbraw/zinc/70/85/59/807708559.db2.gz WMSWJNUAVWOKGG-UHFFFAOYSA-N -1 3 297.326 3.382 20 0 CGADHM Cc1c(F)nccc1Nc1cc(F)c([O-])cc1F ZINC001212844681 815154550 /nfs/dbraw/zinc/15/45/50/815154550.db2.gz GCWSIMICUASTGS-UHFFFAOYSA-N -1 3 254.211 3.257 20 0 CGADHM CCC=CNc1ccc2[n-]c(C(=O)OCC)nc2c1 ZINC001170766720 807902581 /nfs/dbraw/zinc/90/25/81/807902581.db2.gz FMHNYFLYRVVKDH-VMPITWQZSA-N -1 3 259.309 3.075 20 0 CGADHM CCCCCC[C@@H](CCC)Nc1cnc(C)[n-]c1=O ZINC001172388773 808279899 /nfs/dbraw/zinc/27/98/99/808279899.db2.gz OKBYSYXHKBPBDP-KGLIPLIRSA-N -1 3 265.401 3.113 20 0 CGADHM COc1ccc(Nc2cc([O-])c(F)cc2F)cc1 ZINC001173805456 808679190 /nfs/dbraw/zinc/67/91/90/808679190.db2.gz LSLOSIBQMFCVSY-UHFFFAOYSA-N -1 3 251.232 3.423 20 0 CGADHM Cc1cc(C)cc(Nc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC001173827171 808692943 /nfs/dbraw/zinc/69/29/43/808692943.db2.gz SURLGBHELTVBGT-UHFFFAOYSA-N -1 3 255.321 3.420 20 0 CGADHM COc1ccccc1Nc1ncc(Br)cc1[O-] ZINC001173839526 808702475 /nfs/dbraw/zinc/70/24/75/808702475.db2.gz YCVZTJUTLFXFHX-UHFFFAOYSA-N -1 3 295.136 3.302 20 0 CGADHM Cc1ncc(Nc2ccccc2C(F)(F)F)c(=O)[n-]1 ZINC001173842137 808706333 /nfs/dbraw/zinc/70/63/33/808706333.db2.gz CBVIPBIJIJFHLW-UHFFFAOYSA-N -1 3 269.226 3.253 20 0 CGADHM COc1cc(O)ccc1Nc1nc2c(cccc2[O-])s1 ZINC001213092070 815231606 /nfs/dbraw/zinc/23/16/06/815231606.db2.gz ZPCXTDCYHBJZQT-UHFFFAOYSA-N -1 3 288.328 3.460 20 0 CGADHM COc1ccc(Nc2c(F)cc([O-])cc2F)c(OC)c1 ZINC001173892618 808747136 /nfs/dbraw/zinc/74/71/36/808747136.db2.gz XZOYKEDXIUIXPA-UHFFFAOYSA-N -1 3 281.258 3.431 20 0 CGADHM [O-]c1cc(Cl)cnc1Nc1ccc2c(c1)CCO2 ZINC001174009195 808817867 /nfs/dbraw/zinc/81/78/67/808817867.db2.gz AYDHRKCKTTTYIU-UHFFFAOYSA-N -1 3 262.696 3.119 20 0 CGADHM CCOc1ccc(Nc2ncc(F)cc2[O-])c(OC)c1 ZINC001213117024 815239315 /nfs/dbraw/zinc/23/93/15/815239315.db2.gz FQLZJLZLXRTPND-UHFFFAOYSA-N -1 3 278.283 3.077 20 0 CGADHM Cc1nc(Nc2cc(F)ccc2C(F)(F)F)cc(=O)[n-]1 ZINC001174485516 809040079 /nfs/dbraw/zinc/04/00/79/809040079.db2.gz RORQQJQQMRBUQA-UHFFFAOYSA-N -1 3 287.216 3.392 20 0 CGADHM COCCn1cc([N-]c2nc3cc(Cl)ccc3o2)cn1 ZINC001174549350 809079985 /nfs/dbraw/zinc/07/99/85/809079985.db2.gz WZCVOHXCWLTVJK-UHFFFAOYSA-N -1 3 292.726 3.068 20 0 CGADHM [O-]c1c(Cl)cccc1Nc1cnc(C2CC2)nc1 ZINC001174612426 809103119 /nfs/dbraw/zinc/10/31/19/809103119.db2.gz HIGOVCAIWRZMRG-UHFFFAOYSA-N -1 3 261.712 3.457 20 0 CGADHM Cc1cc(F)c(C(=O)[N-]c2ccnc(F)c2F)c(F)c1 ZINC001279962458 809179442 /nfs/dbraw/zinc/17/94/42/809179442.db2.gz KALJYACXQMCXMO-UHFFFAOYSA-N -1 3 284.212 3.199 20 0 CGADHM O=c1ccoc2ccc([N-]c3nnc(-c4ccco4)o3)cc12 ZINC001174939993 809208763 /nfs/dbraw/zinc/20/87/63/809208763.db2.gz WQNAUPOIQNIZOF-UHFFFAOYSA-N -1 3 295.254 3.180 20 0 CGADHM [O-]c1c(F)cc(Nc2cnn3cccc(F)c23)cc1F ZINC001213379209 815272787 /nfs/dbraw/zinc/27/27/87/815272787.db2.gz FTTXLNIBZPWRMP-UHFFFAOYSA-N -1 3 279.221 3.201 20 0 CGADHM [O-]c1c(F)cc(Nc2cc(F)ncc2F)cc1F ZINC001213377569 815273575 /nfs/dbraw/zinc/27/35/75/815273575.db2.gz UKEFXBPFCPFQMM-UHFFFAOYSA-N -1 3 258.174 3.087 20 0 CGADHM COc1ccc(Nc2cc(=O)[n-]c(C)n2)cc1C(F)(F)F ZINC001175069620 809259102 /nfs/dbraw/zinc/25/91/02/809259102.db2.gz VDNBPOINWOZQEQ-UHFFFAOYSA-N -1 3 299.252 3.262 20 0 CGADHM [O-]c1c(F)cc(Nc2cccc(-c3nnco3)c2)cc1F ZINC001213381909 815274648 /nfs/dbraw/zinc/27/46/48/815274648.db2.gz OYRJBOVRNACYGG-UHFFFAOYSA-N -1 3 289.241 3.464 20 0 CGADHM Cc1ccc(Nc2c(F)cc([O-])cc2F)cc1CO ZINC001175099469 809270716 /nfs/dbraw/zinc/27/07/16/809270716.db2.gz IEXVMMJIZULIHK-UHFFFAOYSA-N -1 3 265.259 3.215 20 0 CGADHM Cc1ncc(Nc2ccc(OC(C)C)c(C)c2)c(=O)[n-]1 ZINC001175192775 809302834 /nfs/dbraw/zinc/30/28/34/809302834.db2.gz UUJYEWWXBJFOLZ-UHFFFAOYSA-N -1 3 273.336 3.330 20 0 CGADHM Cc1nc(Nc2c(F)ccc([O-])c2F)sc1C ZINC001175262022 809327925 /nfs/dbraw/zinc/32/79/25/809327925.db2.gz XRTVBCSARWXZMB-UHFFFAOYSA-N -1 3 256.277 3.487 20 0 CGADHM Cc1cc2ncc(C)c(Nc3c(F)ccc([O-])c3F)n2n1 ZINC001175261190 809328029 /nfs/dbraw/zinc/32/80/29/809328029.db2.gz FVHCEFMGFIZEIB-UHFFFAOYSA-N -1 3 290.273 3.074 20 0 CGADHM [O-]c1ccc(F)c(Nc2nsc3ncccc23)c1F ZINC001175264044 809329063 /nfs/dbraw/zinc/32/90/63/809329063.db2.gz QPUHYTTVLMDVGQ-UHFFFAOYSA-N -1 3 279.271 3.419 20 0 CGADHM Cc1ccc(CO)c(Nc2c(F)ccc([O-])c2F)c1 ZINC001175271197 809333986 /nfs/dbraw/zinc/33/39/86/809333986.db2.gz VANGQBUGQGVOEB-UHFFFAOYSA-N -1 3 265.259 3.215 20 0 CGADHM Nc1cccc2c1N(c1c(F)ccc([O-])c1F)CCC2 ZINC001175269775 809334550 /nfs/dbraw/zinc/33/45/50/809334550.db2.gz KZFFASCLLKODQN-UHFFFAOYSA-N -1 3 276.286 3.337 20 0 CGADHM Cc1nc(Nc2c(F)cccc2C2CC2)cc(=O)[n-]1 ZINC001213447551 815284153 /nfs/dbraw/zinc/28/41/53/815284153.db2.gz CMEJEXGBFQEGBC-UHFFFAOYSA-N -1 3 259.284 3.251 20 0 CGADHM CN(C)c1nc(Nc2c(F)cccc2C2CC2)cc(=O)[n-]1 ZINC001213448033 815284198 /nfs/dbraw/zinc/28/41/98/815284198.db2.gz RCVVGTWNNGJBFW-UHFFFAOYSA-N -1 3 288.326 3.008 20 0 CGADHM Cc1nc(Nc2cccc3ccsc32)cc(=O)[n-]1 ZINC001175377238 809384979 /nfs/dbraw/zinc/38/49/79/809384979.db2.gz JNYBWMJHWOHLCM-UHFFFAOYSA-N -1 3 257.318 3.449 20 0 CGADHM c1c(C2CCCC2)noc1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175423034 809399521 /nfs/dbraw/zinc/39/95/21/809399521.db2.gz PHEWJVZUDCRBLH-UHFFFAOYSA-N -1 3 296.334 3.256 20 0 CGADHM CCN(C)c1ccc(Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001175432427 809402453 /nfs/dbraw/zinc/40/24/53/809402453.db2.gz MUGAGGYDCFPPLL-UHFFFAOYSA-N -1 3 294.362 3.066 20 0 CGADHM Cn1cc2c(cccc2Nc2cc([O-])c(F)cc2F)n1 ZINC001175594213 809467738 /nfs/dbraw/zinc/46/77/38/809467738.db2.gz QCASTOOBXGDKIQ-UHFFFAOYSA-N -1 3 275.258 3.301 20 0 CGADHM CCCOc1cccc(Nc2cnc(C)[n-]c2=O)c1 ZINC001175601258 809470606 /nfs/dbraw/zinc/47/06/06/809470606.db2.gz YUBOANQJROXUFY-UHFFFAOYSA-N -1 3 259.309 3.023 20 0 CGADHM CCC1(CNC(=O)c2ccc(C(C)=O)c([O-])c2)CCCC1 ZINC001295050983 809479252 /nfs/dbraw/zinc/47/92/52/809479252.db2.gz KSTCFFZGXXTQHD-UHFFFAOYSA-N -1 3 289.375 3.295 20 0 CGADHM CCCC[C@@H](NC(=O)c1ccccc1[O-])C1CCC1 ZINC001295061094 809480198 /nfs/dbraw/zinc/48/01/98/809480198.db2.gz SBGRKKUTQZOXFO-CQSZACIVSA-N -1 3 261.365 3.481 20 0 CGADHM Cc1ccc(C(=O)NCCCSCC(C)C)c([O-])c1 ZINC001295129482 809482416 /nfs/dbraw/zinc/48/24/16/809482416.db2.gz VIJPCPSXAIINKT-UHFFFAOYSA-N -1 3 281.421 3.210 20 0 CGADHM Cc1ccc(C(=O)NCCCc2ccccc2F)c([O-])c1 ZINC001297354840 809515861 /nfs/dbraw/zinc/51/58/61/809515861.db2.gz LSYMKWFGNBXFAG-UHFFFAOYSA-N -1 3 287.334 3.202 20 0 CGADHM CCCn1nc(C)cc1Nc1cc([O-])c(F)cc1F ZINC001175803025 809547828 /nfs/dbraw/zinc/54/78/28/809547828.db2.gz CBZSLSQIBAPVOP-UHFFFAOYSA-N -1 3 267.279 3.329 20 0 CGADHM COc1cccc(Nc2cc(=O)[n-]c(C3CC3)n2)c1Cl ZINC001175896357 809566243 /nfs/dbraw/zinc/56/62/43/809566243.db2.gz QEHQGEHUCDKZHB-UHFFFAOYSA-N -1 3 291.738 3.465 20 0 CGADHM COc1cccc(C[C@H](C)CC(=O)[N-]OCC2CCC2)c1 ZINC001301102245 809579116 /nfs/dbraw/zinc/57/91/16/809579116.db2.gz BPNBOMAIBLGNLK-ZDUSSCGKSA-N -1 3 291.391 3.112 20 0 CGADHM CCn1nc(C)cc1NC(=O)c1cc2c(cc1[O-])CCCC2 ZINC001301876052 809588621 /nfs/dbraw/zinc/58/86/21/809588621.db2.gz QETFMSSIOHERFW-UHFFFAOYSA-N -1 3 299.374 3.048 20 0 CGADHM Cc1nnc(-c2cccc([N-]c3nnc(C(C)(C)C)o3)c2)o1 ZINC001175988903 809593946 /nfs/dbraw/zinc/59/39/46/809593946.db2.gz WCFVXDIGBFYKOJ-UHFFFAOYSA-N -1 3 299.334 3.469 20 0 CGADHM Cc1ccc(Nc2cc(=O)[n-]c(C3CC3)n2)c(F)c1F ZINC001176094115 809621181 /nfs/dbraw/zinc/62/11/81/809621181.db2.gz VPVYJJBYSUUEMO-UHFFFAOYSA-N -1 3 277.274 3.390 20 0 CGADHM O=C1Cc2cc(Nc3cccc([O-])c3Cl)ccc2N1 ZINC001176430753 809694906 /nfs/dbraw/zinc/69/49/06/809694906.db2.gz PXFVQCUPSQTJRE-UHFFFAOYSA-N -1 3 274.707 3.284 20 0 CGADHM O=C1Cc2cc(Nc3cccc(Cl)c3[O-])ccc2N1 ZINC001176428918 809695159 /nfs/dbraw/zinc/69/51/59/809695159.db2.gz RVYDDBVAHJHTPF-UHFFFAOYSA-N -1 3 274.707 3.284 20 0 CGADHM COc1nonc1[N-]c1ccc(Cl)c(Cl)c1 ZINC001176540894 809712609 /nfs/dbraw/zinc/71/26/09/809712609.db2.gz KVVLZLOYHLNGGK-UHFFFAOYSA-N -1 3 260.080 3.129 20 0 CGADHM O=C(CCCCc1cccs1)Nc1cncc([O-])c1 ZINC001177484980 809801717 /nfs/dbraw/zinc/80/17/17/809801717.db2.gz QTZGORREDGVBQM-UHFFFAOYSA-N -1 3 276.361 3.200 20 0 CGADHM CC(=O)c1ccccc1-c1noc(-c2nc(C)ccc2[O-])n1 ZINC001213697657 815322594 /nfs/dbraw/zinc/32/25/94/815322594.db2.gz CAUKIHUUICJOPS-UHFFFAOYSA-N -1 3 295.298 3.015 20 0 CGADHM C[C@H](CC(F)(F)F)C(=O)Nc1ccc(F)c([O-])c1 ZINC001179864798 809953269 /nfs/dbraw/zinc/95/32/69/809953269.db2.gz JTZFQUPSVGQMLO-ZCFIWIBFSA-N -1 3 265.206 3.058 20 0 CGADHM O=c1ccc2cc(Nc3cc([O-])c(F)cc3F)ccc2[nH]1 ZINC001213775529 815330678 /nfs/dbraw/zinc/33/06/78/815330678.db2.gz CQWSRIGEDNAFSE-UHFFFAOYSA-N -1 3 288.253 3.256 20 0 CGADHM Fc1cc([N-]c2noc3nccnc23)c(F)cc1Cl ZINC001213934907 815347225 /nfs/dbraw/zinc/34/72/25/815347225.db2.gz IPPMLQQJVSKAHR-UHFFFAOYSA-N -1 3 282.637 3.293 20 0 CGADHM CC(=O)c1cccc([O-])c1NC(=O)[C@H](C)c1ccc(O)cc1 ZINC001184283359 810188581 /nfs/dbraw/zinc/18/85/81/810188581.db2.gz QQFKOBSIPGSNMC-SNVBAGLBSA-N -1 3 299.326 3.043 20 0 CGADHM CC(C)c1nnc([N-]c2ccc3cc[nH]c(=O)c3c2)o1 ZINC001213952492 815349941 /nfs/dbraw/zinc/34/99/41/815349941.db2.gz VJRBULZHXZZBTD-UHFFFAOYSA-N -1 3 270.292 3.190 20 0 CGADHM O=C(NCCc1ccccc1)Nc1c([O-])cccc1Cl ZINC001184939966 810224128 /nfs/dbraw/zinc/22/41/28/810224128.db2.gz UKMWZPFIIRSQLU-UHFFFAOYSA-N -1 3 290.750 3.410 20 0 CGADHM Cc1ccc(C(F)(F)F)cc1C(=O)Nc1ncccc1[O-] ZINC001186242585 810322690 /nfs/dbraw/zinc/32/26/90/810322690.db2.gz KICDLFHJWMBBMM-UHFFFAOYSA-N -1 3 296.248 3.367 20 0 CGADHM Cc1cc(C(=O)Nc2cc(Br)ccc2[O-])c[nH]1 ZINC001188198049 810467269 /nfs/dbraw/zinc/46/72/69/810467269.db2.gz OHTGMMHGRBLJCA-UHFFFAOYSA-N -1 3 295.136 3.044 20 0 CGADHM Cc1cc2c(cccc2NC(=O)c2c(C)cccc2[O-])nn1 ZINC001188649182 810498347 /nfs/dbraw/zinc/49/83/47/810498347.db2.gz SSYFJQXINSNULA-UHFFFAOYSA-N -1 3 293.326 3.205 20 0 CGADHM O=C([N-]c1cc(C2CCC2)no1)Nc1nccs1 ZINC001189343254 810561023 /nfs/dbraw/zinc/56/10/23/810561023.db2.gz XKOAVNJHMONZLF-UHFFFAOYSA-N -1 3 264.310 3.043 20 0 CGADHM CCCCCCOc1ccc(NC(=O)c2cnn[n-]2)cc1 ZINC001189349784 810561704 /nfs/dbraw/zinc/56/17/04/810561704.db2.gz XGALQFLNTZHCPG-UHFFFAOYSA-N -1 3 288.351 3.016 20 0 CGADHM CCCCCCOc1ccc(NC(=O)c2c[n-]nn2)cc1 ZINC001189349784 810561710 /nfs/dbraw/zinc/56/17/10/810561710.db2.gz XGALQFLNTZHCPG-UHFFFAOYSA-N -1 3 288.351 3.016 20 0 CGADHM CCCCCCOc1ccc(NC(=O)c2cn[n-]n2)cc1 ZINC001189349784 810561717 /nfs/dbraw/zinc/56/17/17/810561717.db2.gz XGALQFLNTZHCPG-UHFFFAOYSA-N -1 3 288.351 3.016 20 0 CGADHM CN(C(=O)c1cccc(OC(F)(F)F)c1[O-])C(C)(C)C ZINC001189761971 810588579 /nfs/dbraw/zinc/58/85/79/810588579.db2.gz CMMPLEDPRLDLFY-UHFFFAOYSA-N -1 3 291.269 3.161 20 0 CGADHM CC(=O)c1cccc([O-])c1NC(=O)NCc1cccc(C)c1 ZINC001191000769 810662045 /nfs/dbraw/zinc/66/20/45/810662045.db2.gz BTIPDLPTMGPVGG-UHFFFAOYSA-N -1 3 298.342 3.225 20 0 CGADHM CC(=O)c1cccc(NC(=O)NC2CCCCCC2)c1[O-] ZINC001191270293 810695295 /nfs/dbraw/zinc/69/52/95/810695295.db2.gz NXYBYBLSXKKMNU-UHFFFAOYSA-N -1 3 290.363 3.439 20 0 CGADHM CC(C)c1csc(C(=O)[N-]c2noc3cnccc32)n1 ZINC001193501345 810898899 /nfs/dbraw/zinc/89/88/99/810898899.db2.gz ZIYUDEBOYQDYKD-UHFFFAOYSA-N -1 3 288.332 3.055 20 0 CGADHM Cc1cc(O)cc([O-])c1C(=O)N(C)CC1CCCCC1 ZINC001193928465 810980492 /nfs/dbraw/zinc/98/04/92/810980492.db2.gz DJICJNDVUKJHRD-UHFFFAOYSA-N -1 3 277.364 3.059 20 0 CGADHM Cc1cc(O)cc([O-])c1C(=O)N[C@H](C)CCc1ccccc1 ZINC001193946230 810984371 /nfs/dbraw/zinc/98/43/71/810984371.db2.gz QNWOAQORAWXWFY-CYBMUJFWSA-N -1 3 299.370 3.157 20 0 CGADHM Cc1ccc([O-])c(NC(=O)Oc2ccc(Cl)cc2)n1 ZINC001194028578 811004638 /nfs/dbraw/zinc/00/46/38/811004638.db2.gz RLDOORDHBHNKEK-UHFFFAOYSA-N -1 3 278.695 3.360 20 0 CGADHM Nc1ccc(O)c(Nc2c(F)c([O-])ccc2Cl)c1 ZINC001214561330 815424553 /nfs/dbraw/zinc/42/45/53/815424553.db2.gz GRLBFYQRWNGAQK-UHFFFAOYSA-N -1 3 268.675 3.216 20 0 CGADHM COC(=O)c1ccncc1Nc1c(Cl)ccc([O-])c1F ZINC001214553847 815422423 /nfs/dbraw/zinc/42/24/23/815422423.db2.gz CFGHHEWVHYWMCS-UHFFFAOYSA-N -1 3 296.685 3.110 20 0 CGADHM CSc1cc(Nc2c(Cl)ccc([O-])c2F)nn1C ZINC001214558552 815424290 /nfs/dbraw/zinc/42/42/90/815424290.db2.gz ZOONFPCMTBFABO-UHFFFAOYSA-N -1 3 287.747 3.384 20 0 CGADHM Cc1ccc([O-])c(C(=O)N[C@@H](CC(C)C)c2ccccn2)n1 ZINC001195331882 811242326 /nfs/dbraw/zinc/24/23/26/811242326.db2.gz IDHQAWCDXUNBGY-AWEZNQCLSA-N -1 3 299.374 3.008 20 0 CGADHM [O-]c1cnc(NC(=S)Nc2ccccc2F)c(Cl)c1 ZINC001195749629 811286189 /nfs/dbraw/zinc/28/61/89/811286189.db2.gz COTMJOOPFQYATG-UHFFFAOYSA-N -1 3 297.742 3.389 20 0 CGADHM Cc1nc(Cl)cc(Cl)c1C(=O)Nc1ncccc1[O-] ZINC001196679385 811357376 /nfs/dbraw/zinc/35/73/76/811357376.db2.gz KFCIAJIHIZGDOH-UHFFFAOYSA-N -1 3 298.129 3.050 20 0 CGADHM Cc1ncc(NC2=CC[C@H](C(F)(F)F)CC2)c(=O)[n-]1 ZINC001196890512 811379531 /nfs/dbraw/zinc/37/95/31/811379531.db2.gz SVENBQHNNUUCLI-QMMMGPOBSA-N -1 3 273.258 3.149 20 0 CGADHM CCCOc1cc(Nc2cc(=O)[n-]c(C)n2)c(Cl)cn1 ZINC001214730856 815446306 /nfs/dbraw/zinc/44/63/06/815446306.db2.gz JTNSNYZACNCZAZ-UHFFFAOYSA-N -1 3 294.742 3.071 20 0 CGADHM CCOc1ncc([N-]c2nnc(C(C)(C)C)o2)cc1C ZINC001214929082 815461559 /nfs/dbraw/zinc/46/15/59/815461559.db2.gz SLLHWQBWRUWANM-UHFFFAOYSA-N -1 3 276.340 3.213 20 0 CGADHM Cc1cc(Nc2ncc(F)cc2[O-])cnc1OC(C)C ZINC001214940649 815465878 /nfs/dbraw/zinc/46/58/78/815465878.db2.gz YAGWQYARFIZXCR-UHFFFAOYSA-N -1 3 277.299 3.161 20 0 CGADHM Cc1cccc(-c2noc(-c3c([O-])cccc3O)n2)c1F ZINC001215302282 815505334 /nfs/dbraw/zinc/50/53/34/815505334.db2.gz XJUDWMIBQMZJKB-UHFFFAOYSA-N -1 3 286.262 3.262 20 0 CGADHM [O-]c1ccc(Cl)c(-c2nc(-c3cc(F)ccn3)no2)c1 ZINC001215347888 815509127 /nfs/dbraw/zinc/50/91/27/815509127.db2.gz MGCTXOFKLYDYFH-UHFFFAOYSA-N -1 3 291.669 3.297 20 0 CGADHM [O-]c1c(Cl)cccc1Nc1cccc(CCO)c1 ZINC001203115597 812244033 /nfs/dbraw/zinc/24/40/33/812244033.db2.gz HTGXYJVMCBDQRN-UHFFFAOYSA-N -1 3 263.724 3.324 20 0 CGADHM CN(CCC(=O)c1ccccc1)Cc1ccc(C(=O)[O-])cc1 ZINC001204155935 812558175 /nfs/dbraw/zinc/55/81/75/812558175.db2.gz WZVAUTUOTAKXIR-UHFFFAOYSA-N -1 3 297.354 3.090 20 0 CGADHM [O-]c1cc(F)c(Nc2cnc3ccccc3n2)cc1F ZINC001215571530 815537364 /nfs/dbraw/zinc/53/73/64/815537364.db2.gz CPYIKXIVSOPYCV-UHFFFAOYSA-N -1 3 273.242 3.357 20 0 CGADHM c1nnc([N-]c2ccc(Cc3ccccc3)cc2)o1 ZINC001204711516 812715062 /nfs/dbraw/zinc/71/50/62/812715062.db2.gz BZOQUKMHDFEHLO-UHFFFAOYSA-N -1 3 251.289 3.404 20 0 CGADHM Cc1nn(C)c2ccc(Nc3ncc(Cl)cc3[O-])cc12 ZINC001204840896 812751582 /nfs/dbraw/zinc/75/15/82/812751582.db2.gz QQKXRAOFTSQXHL-UHFFFAOYSA-N -1 3 288.738 3.379 20 0 CGADHM [O-]c1cccc(Nc2ccn3ccnc3c2)c1Cl ZINC001204983051 812810555 /nfs/dbraw/zinc/81/05/55/812810555.db2.gz NMWLTCMDJGBHKS-UHFFFAOYSA-N -1 3 259.696 3.437 20 0 CGADHM CCc1cc(-c2cncc(-c3nnn[n-]3)c2)ccc1Cl ZINC001205813352 813089703 /nfs/dbraw/zinc/08/97/03/813089703.db2.gz URFVOGHGKVDBEL-UHFFFAOYSA-N -1 3 285.738 3.145 20 0 CGADHM CCc1cc(-c2cncc(-c3nn[n-]n3)c2)ccc1Cl ZINC001205813352 813089707 /nfs/dbraw/zinc/08/97/07/813089707.db2.gz URFVOGHGKVDBEL-UHFFFAOYSA-N -1 3 285.738 3.145 20 0 CGADHM CCSc1cncc(-c2ccc([O-])cc2F)n1 ZINC001206044950 813179234 /nfs/dbraw/zinc/17/92/34/813179234.db2.gz UQDREOJMKLDLDH-UHFFFAOYSA-N -1 3 250.298 3.100 20 0 CGADHM COC(=O)c1cc2cc(-c3ccc([O-])cc3F)ncc2o1 ZINC001206043939 813179661 /nfs/dbraw/zinc/17/96/61/813179661.db2.gz AFIUWXUEEGREMY-UHFFFAOYSA-N -1 3 287.246 3.126 20 0 CGADHM CN(C)C(=O)Sc1ccc(-c2ccc([O-])cc2F)nc1 ZINC001206051946 813183253 /nfs/dbraw/zinc/18/32/53/813183253.db2.gz TUTPWOOAKWXXPB-UHFFFAOYSA-N -1 3 292.335 3.367 20 0 CGADHM COc1cc(F)c(F)cc1-c1ccc([O-])cc1F ZINC001206057669 813184434 /nfs/dbraw/zinc/18/44/34/813184434.db2.gz IHQJDMBMTWYEQO-UHFFFAOYSA-N -1 3 254.207 3.485 20 0 CGADHM O=c1c(-c2ccc([O-])cc2F)cccn1-c1ccccc1F ZINC001206080303 813193197 /nfs/dbraw/zinc/19/31/97/813193197.db2.gz IHLFPLISRNHXDA-UHFFFAOYSA-N -1 3 299.276 3.488 20 0 CGADHM [O-]c1ccc(-c2cccnc2OC(F)F)c(F)c1 ZINC001206081067 813195239 /nfs/dbraw/zinc/19/52/39/813195239.db2.gz UIYQILKRODHQLI-UHFFFAOYSA-N -1 3 255.195 3.195 20 0 CGADHM Cc1ccc(C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC001206153798 813216214 /nfs/dbraw/zinc/21/62/14/813216214.db2.gz XQWWMTAUNLKRTI-ZHACJKMWSA-N -1 3 262.316 3.346 20 0 CGADHM Cc1ccc(C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC001206153798 813216218 /nfs/dbraw/zinc/21/62/18/813216218.db2.gz XQWWMTAUNLKRTI-ZHACJKMWSA-N -1 3 262.316 3.346 20 0 CGADHM O=C1NCCc2cc(Nc3cccc([O-])c3Cl)ccc21 ZINC001210164927 814317770 /nfs/dbraw/zinc/31/77/70/814317770.db2.gz RKKJORKDZKUMJD-UHFFFAOYSA-N -1 3 288.734 3.075 20 0 CGADHM O=c1cc(C(F)(F)F)[nH]cc1Nc1cccc(F)c1[O-] ZINC001210195540 814331744 /nfs/dbraw/zinc/33/17/44/814331744.db2.gz MPYKVCGBJLYWLM-UHFFFAOYSA-N -1 3 288.200 3.394 20 0 CGADHM CC(C)(C)c1nnc(Nc2cccc(Cl)c2[O-])o1 ZINC001210216115 814344961 /nfs/dbraw/zinc/34/49/61/814344961.db2.gz CISLSVIFFUBHRN-UHFFFAOYSA-N -1 3 267.716 3.470 20 0 CGADHM CCOC(=O)c1cccc(Nc2cccc(Cl)c2[O-])n1 ZINC001210218244 814347477 /nfs/dbraw/zinc/34/74/77/814347477.db2.gz HFGGFFKSIJVBHF-UHFFFAOYSA-N -1 3 292.722 3.361 20 0 CGADHM O=c1cc(Nc2cccc(Cl)c2[O-])nc(C2CC2)[nH]1 ZINC001210216584 814347584 /nfs/dbraw/zinc/34/75/84/814347584.db2.gz XVMUTNMZVZAQIJ-UHFFFAOYSA-N -1 3 277.711 3.162 20 0 CGADHM [O-]c1c(Cl)cccc1Nc1ccc(F)nc1F ZINC001210220150 814348406 /nfs/dbraw/zinc/34/84/06/814348406.db2.gz NVUGBFZNNLBXOQ-UHFFFAOYSA-N -1 3 256.639 3.462 20 0 CGADHM Cc1nnc2ccc(Nc3cccc(Cl)c3[O-])cn12 ZINC001210220941 814349374 /nfs/dbraw/zinc/34/93/74/814349374.db2.gz UFYYZBHHWPOVCY-UHFFFAOYSA-N -1 3 274.711 3.140 20 0 CGADHM Cc1cc(Nc2cnc[n-]c2=O)ccc1C(F)(F)F ZINC001210304504 814393805 /nfs/dbraw/zinc/39/38/05/814393805.db2.gz RASPIVXGKGFPCH-UHFFFAOYSA-N -1 3 269.226 3.253 20 0 CGADHM CC(C)n1ccc([N-]c2cc(-c3ccncc3)no2)n1 ZINC001210341454 814410589 /nfs/dbraw/zinc/41/05/89/814410589.db2.gz HZHPHMULKGMPLT-UHFFFAOYSA-N -1 3 269.308 3.258 20 0 CGADHM [O-]c1c(Cl)cccc1Nc1cnn(C(F)(F)F)c1 ZINC001210363487 814423014 /nfs/dbraw/zinc/42/30/14/814423014.db2.gz XZNNQAABEHYWLZ-UHFFFAOYSA-N -1 3 277.633 3.462 20 0 CGADHM Cn1ccnc1-c1ccc(Nc2ncc(F)cc2[O-])cc1 ZINC001210432065 814454588 /nfs/dbraw/zinc/45/45/88/814454588.db2.gz LCITYHFPQSJUNR-UHFFFAOYSA-N -1 3 284.294 3.070 20 0 CGADHM Cc1ncc(Nc2cccc(F)c2Cl)c(=O)[n-]1 ZINC001210541598 814516135 /nfs/dbraw/zinc/51/61/35/814516135.db2.gz QFJCDUSSTDIXGX-UHFFFAOYSA-N -1 3 253.664 3.027 20 0 CGADHM CSc1cccc([N-]c2nc(C)ns2)c1F ZINC001215867145 815617509 /nfs/dbraw/zinc/61/75/09/815617509.db2.gz SHLHGVRWXLSOGX-UHFFFAOYSA-N -1 3 255.343 3.451 20 0 CGADHM C[C@H](O)c1ccc([N-]c2nnc(-c3ccco3)o2)cc1 ZINC001210642174 814566642 /nfs/dbraw/zinc/56/66/42/814566642.db2.gz ZTLPOPRTKFKIID-VIFPVBQESA-N -1 3 271.276 3.127 20 0 CGADHM [O-]c1cccc(Nc2nc(F)ccc2F)c1Cl ZINC001210853817 814650479 /nfs/dbraw/zinc/65/04/79/814650479.db2.gz LIAOIFBOVPEUSD-UHFFFAOYSA-N -1 3 256.639 3.462 20 0 CGADHM COC(=O)c1occc1Nc1cccc([O-])c1Cl ZINC001210851886 814651066 /nfs/dbraw/zinc/65/10/66/814651066.db2.gz QAPHZMZLKHCVJZ-UHFFFAOYSA-N -1 3 267.668 3.169 20 0 CGADHM Cn1nnc2cc(Nc3cccc([O-])c3Cl)ccc21 ZINC001210854164 814652063 /nfs/dbraw/zinc/65/20/63/814652063.db2.gz DLYDACFYPMQFMB-UHFFFAOYSA-N -1 3 274.711 3.071 20 0 CGADHM [O-]c1cccc(Nc2ccc(-n3cncn3)cc2)c1Cl ZINC001210854987 814652095 /nfs/dbraw/zinc/65/20/95/814652095.db2.gz GXNFNWPURHMEBW-UHFFFAOYSA-N -1 3 286.722 3.370 20 0 CGADHM CC1(C)COc2c(Nc3cccc([O-])c3Cl)cnn2C1 ZINC001210855143 814652513 /nfs/dbraw/zinc/65/25/13/814652513.db2.gz JHVNBKNARXPGLZ-UHFFFAOYSA-N -1 3 293.754 3.404 20 0 CGADHM O=C1NCCc2cccc(Nc3cccc([O-])c3Cl)c21 ZINC001210859130 814654019 /nfs/dbraw/zinc/65/40/19/814654019.db2.gz BSBHYMCKYCEXLY-UHFFFAOYSA-N -1 3 288.734 3.075 20 0 CGADHM COc1c(F)cc(F)cc1Nc1cc(=O)[n-]c(C2CC2)n1 ZINC001210865860 814657137 /nfs/dbraw/zinc/65/71/37/814657137.db2.gz UYHCGQXIEUZFSE-UHFFFAOYSA-N -1 3 293.273 3.090 20 0 CGADHM COc1ccc(Nc2cc([O-])c(F)cc2F)c(C)n1 ZINC001211043796 814717967 /nfs/dbraw/zinc/71/79/67/814717967.db2.gz FWIMKFVOHCYCTJ-UHFFFAOYSA-N -1 3 266.247 3.126 20 0 CGADHM Cc1cnc([N-]c2cc(OC(C)C)cnc2F)o1 ZINC001215779023 815587576 /nfs/dbraw/zinc/58/75/76/815587576.db2.gz DKQYEDYQILVALF-UHFFFAOYSA-N -1 3 251.261 3.048 20 0 CGADHM [O-]c1cc(Nc2cccc(CO)c2F)c(F)cc1F ZINC001211437731 814892193 /nfs/dbraw/zinc/89/21/93/814892193.db2.gz NLMVCGYJTASSLI-UHFFFAOYSA-N -1 3 269.222 3.045 20 0 CGADHM [O-]c1ccc(Nc2cccc(CO)c2F)cc1Cl ZINC001211440024 814892614 /nfs/dbraw/zinc/89/26/14/814892614.db2.gz QUMHDEHEAJGFNN-UHFFFAOYSA-N -1 3 267.687 3.421 20 0 CGADHM Cc1ncc(Nc2c(F)ccc(C3CC3)c2F)c(=O)[n-]1 ZINC001215993586 815653923 /nfs/dbraw/zinc/65/39/23/815653923.db2.gz VPHHOUARLHXEEG-UHFFFAOYSA-N -1 3 277.274 3.390 20 0 CGADHM Nc1c(F)c(F)c(F)cc1Nc1cc([O-])c(F)cc1F ZINC001216010900 815660498 /nfs/dbraw/zinc/66/04/98/815660498.db2.gz NVCAVXSVTAYVLK-UHFFFAOYSA-N -1 3 290.191 3.414 20 0 CGADHM CC(C)c1nnc([N-]c2cc(F)cc(N(C)C)c2)o1 ZINC001216157249 815715028 /nfs/dbraw/zinc/71/50/28/815715028.db2.gz HETNXGKSBITQIW-UHFFFAOYSA-N -1 3 264.304 3.142 20 0 CGADHM CCCn1nccc1-c1cc(C(F)(F)F)[n-]c(=S)n1 ZINC001242842570 823149627 /nfs/dbraw/zinc/14/96/27/823149627.db2.gz COSVZTFFOUXJPY-UHFFFAOYSA-N -1 3 288.298 3.058 20 0 CGADHM CCCOc1ccc([N-]c2nnc(C(C)C)o2)cn1 ZINC001216584202 815864609 /nfs/dbraw/zinc/86/46/09/815864609.db2.gz KRZXSRUKZQLIOE-UHFFFAOYSA-N -1 3 262.313 3.120 20 0 CGADHM COc1cc([O-])ccc1-c1nc(-c2cnc(C)cc2C)no1 ZINC001217086027 815908757 /nfs/dbraw/zinc/90/87/57/815908757.db2.gz ZLCYQSGAUGNOAE-UHFFFAOYSA-N -1 3 297.314 3.130 20 0 CGADHM C=C(c1ccccc1)c1ccc(-c2nnn[n-]2)cc1C ZINC001242894675 823166780 /nfs/dbraw/zinc/16/67/80/823166780.db2.gz UYVMEKKDKPLQDQ-UHFFFAOYSA-N -1 3 262.316 3.237 20 0 CGADHM C=C(c1ccccc1)c1ccc(-c2nn[n-]n2)cc1C ZINC001242894675 823166784 /nfs/dbraw/zinc/16/67/84/823166784.db2.gz UYVMEKKDKPLQDQ-UHFFFAOYSA-N -1 3 262.316 3.237 20 0 CGADHM COC(=O)c1cc2cc(-c3ccc(F)c([O-])c3)ccc2[nH]1 ZINC001243047376 823224417 /nfs/dbraw/zinc/22/44/17/823224417.db2.gz CFDMPOQRVRQQHE-UHFFFAOYSA-N -1 3 285.274 3.466 20 0 CGADHM [O-]c1cc(-c2cnc3ccc(F)cc3n2)ccc1F ZINC001243047184 823224965 /nfs/dbraw/zinc/22/49/65/823224965.db2.gz CNAUQVHOKNAMKO-UHFFFAOYSA-N -1 3 258.227 3.281 20 0 CGADHM COC(=O)c1c(F)c(-c2ccc(F)c([O-])c2)ccc1OC ZINC001243048376 823226168 /nfs/dbraw/zinc/22/61/68/823226168.db2.gz YKZCUBRGXAVMGM-UHFFFAOYSA-N -1 3 294.253 3.133 20 0 CGADHM COc1ccc2nc(-c3ccc(F)c([O-])c3)c(C)nc2c1 ZINC001243049574 823226390 /nfs/dbraw/zinc/22/63/90/823226390.db2.gz LJVNQBJZEQTKCP-UHFFFAOYSA-N -1 3 284.290 3.459 20 0 CGADHM CC(=O)Nc1cc(-c2ccc(F)c([O-])c2)ccc1C ZINC001243051946 823228564 /nfs/dbraw/zinc/22/85/64/823228564.db2.gz QPBAUSQMNAVFLU-UHFFFAOYSA-N -1 3 259.280 3.465 20 0 CGADHM COC(=O)c1ccc(F)cc1-c1ccc(F)c([O-])c1 ZINC001243049546 823226813 /nfs/dbraw/zinc/22/68/13/823226813.db2.gz QBTWEEMZEHIDSJ-UHFFFAOYSA-N -1 3 264.227 3.124 20 0 CGADHM COC(=O)c1c(C)cccc1-c1ccc(F)c([O-])c1 ZINC001243050280 823227696 /nfs/dbraw/zinc/22/76/96/823227696.db2.gz VIJHIPPKIKOKHE-UHFFFAOYSA-N -1 3 260.264 3.293 20 0 CGADHM CC(=O)Nc1ccc(-c2ccc(F)c([O-])c2)c(C)c1 ZINC001243052495 823228876 /nfs/dbraw/zinc/22/88/76/823228876.db2.gz XUQJJDROADISOA-UHFFFAOYSA-N -1 3 259.280 3.465 20 0 CGADHM Nc1cnc2cc(-c3ccc(F)c([O-])c3)ccc2c1 ZINC001243062996 823232981 /nfs/dbraw/zinc/23/29/81/823232981.db2.gz RNEOHRDLOIYMJV-UHFFFAOYSA-N -1 3 254.264 3.329 20 0 CGADHM CC[C@@H](Oc1nc(=O)[n-]cc1C(F)(F)F)C(C)C ZINC001225577369 817097934 /nfs/dbraw/zinc/09/79/34/817097934.db2.gz WDKGBJHWYFZSSH-MRVPVSSYSA-N -1 3 264.247 3.014 20 0 CGADHM O=c1ncc(C(F)(F)F)c(O[C@H]2CCc3ccccc32)[n-]1 ZINC001225580266 817099189 /nfs/dbraw/zinc/09/91/89/817099189.db2.gz VKAAZIIGORPHQQ-NSHDSACASA-N -1 3 296.248 3.267 20 0 CGADHM Cc1cnc(=S)[n-]c1O[C@H](C)c1cccc(F)c1 ZINC001225741000 817162330 /nfs/dbraw/zinc/16/23/30/817162330.db2.gz MEWZNBPDDVAUHH-SECBINFHSA-N -1 3 264.325 3.353 20 0 CGADHM Cc1cnc(=S)[n-]c1OC[C@H](C)OCc1ccccc1 ZINC001225742717 817163608 /nfs/dbraw/zinc/16/36/08/817163608.db2.gz OWNFXGSRJFDNGS-LBPRGKRZSA-N -1 3 290.388 3.058 20 0 CGADHM Cc1cnc(=S)[n-]c1O[C@H](C)c1cccs1 ZINC001225743177 817164030 /nfs/dbraw/zinc/16/40/30/817164030.db2.gz UNYSZGRQFGHQHH-MRVPVSSYSA-N -1 3 252.364 3.275 20 0 CGADHM C[C@H]1CCC[C@H]1Oc1cc(C(F)(F)F)[n-]c(=S)n1 ZINC001225852285 817196711 /nfs/dbraw/zinc/19/67/11/817196711.db2.gz DUPBPESYPZBDRQ-NKWVEPMBSA-N -1 3 278.299 3.352 20 0 CGADHM CC[C@@H](Oc1cc(COC)nc(=S)[n-]1)c1ccccc1 ZINC001225931039 817221441 /nfs/dbraw/zinc/22/14/41/817221441.db2.gz AOJOQGHLYFKWNA-CYBMUJFWSA-N -1 3 290.388 3.442 20 0 CGADHM Cc1ccc([C@@H](C)Oc2nc[n-]c(=O)c2C)c(C)c1 ZINC001226077758 817267894 /nfs/dbraw/zinc/26/78/94/817267894.db2.gz VZRPTSCBTLXEFQ-GFCCVEGCSA-N -1 3 258.321 3.247 20 0 CGADHM CCc1nc(O[C@H](C)c2ccc(F)cc2)cc(=O)[n-]1 ZINC001226471152 817367319 /nfs/dbraw/zinc/36/73/19/817367319.db2.gz ASARPLMOLVGHDB-SECBINFHSA-N -1 3 262.284 3.024 20 0 CGADHM CC(=O)c1ccc([O-])c(OC2CCCCC2)c1O ZINC001226478992 817370594 /nfs/dbraw/zinc/37/05/94/817370594.db2.gz MCVDZGAQLJCDBC-UHFFFAOYSA-N -1 3 250.294 3.012 20 0 CGADHM CC[C@H](C)[C@H](C)Oc1c([O-])ccc(C(C)=O)c1O ZINC001226481572 817372449 /nfs/dbraw/zinc/37/24/49/817372449.db2.gz GXXVGCGDMGKTCL-WPRPVWTQSA-N -1 3 252.310 3.114 20 0 CGADHM Cc1nc(O[C@@H](c2ccccc2)C(C)C)cc(=O)[n-]1 ZINC001226509696 817379214 /nfs/dbraw/zinc/37/92/14/817379214.db2.gz BROKJLFVUAVFTB-OAHLLOKOSA-N -1 3 258.321 3.267 20 0 CGADHM Cc1cc(=O)oc2cc([O-])c(OC(C3CC3)C3CC3)cc12 ZINC001226532075 817389691 /nfs/dbraw/zinc/38/96/91/817389691.db2.gz NKHWKYIYDLUWFI-UHFFFAOYSA-N -1 3 286.327 3.374 20 0 CGADHM C[C@@H](Oc1[n-]c(=O)nc2nc(Cl)ccc21)c1ccco1 ZINC001226552996 817395636 /nfs/dbraw/zinc/39/56/36/817395636.db2.gz FEXURQLJGUECEF-SSDOTTSWSA-N -1 3 291.694 3.117 20 0 CGADHM O=c1nc2nc(Cl)ccc2c(OC2CCCCCC2)[n-]1 ZINC001226557289 817397414 /nfs/dbraw/zinc/39/74/14/817397414.db2.gz ZRZHWDANZMFNSL-UHFFFAOYSA-N -1 3 293.754 3.485 20 0 CGADHM COC(C)(C)C[C@@H](C)Oc1c([O-])ccc2ccc(=O)oc21 ZINC001226598539 817410057 /nfs/dbraw/zinc/41/00/57/817410057.db2.gz DPOIHODIDHENSH-SNVBAGLBSA-N -1 3 292.331 3.081 20 0 CGADHM Cc1cc(O[C@H](C)c2cccc(F)c2)[n-]c(=S)n1 ZINC001226799004 817468676 /nfs/dbraw/zinc/46/86/76/817468676.db2.gz OLJZUYQBPMYYGE-SECBINFHSA-N -1 3 264.325 3.353 20 0 CGADHM COc1ccccc1[C@H](C)Oc1cc(C)nc(=S)[n-]1 ZINC001226802196 817469490 /nfs/dbraw/zinc/46/94/90/817469490.db2.gz TURNWBGPIVCOPM-JTQLQIEISA-N -1 3 276.361 3.222 20 0 CGADHM FC(F)(F)[C@H]1CC[C@H](Oc2ccnc(=S)[n-]2)CC1 ZINC001226938511 817509881 /nfs/dbraw/zinc/50/98/81/817509881.db2.gz ACZPVCYGIJNGAA-ZKCHVHJHSA-N -1 3 278.299 3.265 20 0 CGADHM O=c1[n-]cncc1OC1CC(c2ccccc2Cl)C1 ZINC001227051891 817544677 /nfs/dbraw/zinc/54/46/77/817544677.db2.gz RLRIOODSGQHDRX-UHFFFAOYSA-N -1 3 276.723 3.161 20 0 CGADHM CCc1cnc(=S)[n-]c1O[C@H](C)c1ncccc1F ZINC001227060843 817547069 /nfs/dbraw/zinc/54/70/69/817547069.db2.gz FDVNVFMQPZENEU-MRVPVSSYSA-N -1 3 279.340 3.002 20 0 CGADHM [O-]c1cc(Br)cc(F)c1O[C@H]1C=CCC1 ZINC001227586470 817675884 /nfs/dbraw/zinc/67/58/84/817675884.db2.gz AAYHCUWZIRKVJO-QMMMGPOBSA-N -1 3 273.101 3.391 20 0 CGADHM CO[C@@H](C)CCOc1c([O-])cc(Br)cc1F ZINC001227587690 817677402 /nfs/dbraw/zinc/67/74/02/817677402.db2.gz LNIWJRBDHJWXQD-ZETCQYMHSA-N -1 3 293.132 3.098 20 0 CGADHM CCCCCC[C@H](C)Oc1nc(C(=O)OC)ccc1[O-] ZINC001227820023 817726812 /nfs/dbraw/zinc/72/68/12/817726812.db2.gz LZCQLQOADGDNOY-NSHDSACASA-N -1 3 281.352 3.312 20 0 CGADHM COC(=O)c1ccc([O-])c(O[C@@H]2C[C@@H](C)CC(C)(C)C2)n1 ZINC001227819521 817727252 /nfs/dbraw/zinc/72/72/52/817727252.db2.gz CHKQMCNKEDDPCB-GHMZBOCLSA-N -1 3 293.363 3.167 20 0 CGADHM C[C@@H](COCc1ccccc1)Oc1ncc(Cl)cc1[O-] ZINC001227981194 817771279 /nfs/dbraw/zinc/77/12/79/817771279.db2.gz UNMQHEVMIJHLFW-NSHDSACASA-N -1 3 293.750 3.425 20 0 CGADHM CCCc1c([O-])ccc(C(C)=O)c1OC[C@H]1CCCO1 ZINC001228135127 817820409 /nfs/dbraw/zinc/82/04/09/817820409.db2.gz WEDGKGCNVGQTCS-GFCCVEGCSA-N -1 3 278.348 3.105 20 0 CGADHM CCCc1c([O-])ccc(C(C)=O)c1O[C@H]1CCOC[C@@H]1C ZINC001228136683 817821274 /nfs/dbraw/zinc/82/12/74/817821274.db2.gz PSVHYRNPWQSTQN-ZBEGNZNMSA-N -1 3 292.375 3.351 20 0 CGADHM C[C@@H]1CCC[C@H](C)[C@H]1Oc1n[n-]c(-c2ccncc2)n1 ZINC001228699071 817980317 /nfs/dbraw/zinc/98/03/17/817980317.db2.gz DDMMVPWRTPFATL-PJXYFTJBSA-N -1 3 272.352 3.070 20 0 CGADHM C[C@@H](Oc1cc2c(cc1[O-])CCC2=O)c1ccccn1 ZINC001228854612 818023765 /nfs/dbraw/zinc/02/37/65/818023765.db2.gz USBJWAYQGIHPHF-SNVBAGLBSA-N -1 3 269.300 3.056 20 0 CGADHM CC(C)c1cc(-c2ccccc2-c2nnn[n-]2)ccc1O ZINC001243246061 823311893 /nfs/dbraw/zinc/31/18/93/823311893.db2.gz UQQXDZAWOYJIGH-UHFFFAOYSA-N -1 3 280.331 3.363 20 0 CGADHM CC(C)c1cc(-c2ccccc2-c2nn[n-]n2)ccc1O ZINC001243246061 823311895 /nfs/dbraw/zinc/31/18/95/823311895.db2.gz UQQXDZAWOYJIGH-UHFFFAOYSA-N -1 3 280.331 3.363 20 0 CGADHM [O-]c1ccc(CN2CCn3cccc3C2)cc1C(F)(F)F ZINC001231524940 818120601 /nfs/dbraw/zinc/12/06/01/818120601.db2.gz PODSJPNMGNHJMH-UHFFFAOYSA-N -1 3 296.292 3.228 20 0 CGADHM CN(CCc1ccccc1F)Cc1ccc(F)c([O-])c1F ZINC001232941418 818478800 /nfs/dbraw/zinc/47/88/00/818478800.db2.gz WMMKYNCGVUETMQ-UHFFFAOYSA-N -1 3 295.304 3.484 20 0 CGADHM C[C@@H]1[C@@H](C)CCCN1Cc1cc(Cl)ncc1[O-] ZINC001233036335 818503994 /nfs/dbraw/zinc/50/39/94/818503994.db2.gz OXINSOBWGDPNFO-VHSXEESVSA-N -1 3 254.761 3.061 20 0 CGADHM COc1ccc(CN(C)Cc2cc(Cl)ncc2[O-])cc1 ZINC001233037356 818505945 /nfs/dbraw/zinc/50/59/45/818505945.db2.gz YWTFHZAGXDCCHC-UHFFFAOYSA-N -1 3 292.766 3.081 20 0 CGADHM C[C@]1(F)CCCN(Cc2cc(Cl)ncc2[O-])CC1 ZINC001233031884 818506277 /nfs/dbraw/zinc/50/62/77/818506277.db2.gz ASQRVCOSFROSAF-ZDUSSCGKSA-N -1 3 272.751 3.155 20 0 CGADHM C[C@@H]1CCN(Cc2cccc([O-])c2F)CC1(F)F ZINC001233050574 818510944 /nfs/dbraw/zinc/51/09/44/818510944.db2.gz QDIMGWVUKJEDNG-SECBINFHSA-N -1 3 259.271 3.008 20 0 CGADHM Cc1cc([C@@H]2CCCN2Cc2cccc([O-])c2F)no1 ZINC001233050290 818511538 /nfs/dbraw/zinc/51/15/38/818511538.db2.gz OJDNCKFBTLFBHG-ZDUSSCGKSA-N -1 3 276.311 3.165 20 0 CGADHM [O-]c1cccc(CN2CCCC[C@H]2C(F)(F)F)c1F ZINC001233053497 818512198 /nfs/dbraw/zinc/51/21/98/818512198.db2.gz QJEOGHMSKQUMOE-NSHDSACASA-N -1 3 277.261 3.448 20 0 CGADHM [S-]c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 ZINC001233259353 818558290 /nfs/dbraw/zinc/55/82/90/818558290.db2.gz OXJGINVUNNJNCY-UHFFFAOYSA-N -1 3 298.455 3.293 20 0 CGADHM COc1ccc(CN2CCCC(F)(F)C2)c(Cl)c1[O-] ZINC001233398056 818610685 /nfs/dbraw/zinc/61/06/85/818610685.db2.gz WICDZEZWUMDQPI-UHFFFAOYSA-N -1 3 291.725 3.285 20 0 CGADHM CCOC(=O)[C@@H]1CCC[C@@H]1Oc1cc(Cl)c([O-])cc1C ZINC001233592393 818652116 /nfs/dbraw/zinc/65/21/16/818652116.db2.gz MLLUJBFHXIMDQY-MFKMUULPSA-N -1 3 298.766 3.465 20 0 CGADHM CCOCC(COCC)Oc1cc(Cl)c([O-])cc1C ZINC001233591512 818652757 /nfs/dbraw/zinc/65/27/57/818652757.db2.gz GWSNYZOKTUQUSL-UHFFFAOYSA-N -1 3 288.771 3.174 20 0 CGADHM CCC[C@H](Oc1cc(Cl)c([O-])cc1C)C(=O)OCC ZINC001233593771 818653948 /nfs/dbraw/zinc/65/39/48/818653948.db2.gz ZTSQSOLMQHWKOF-LBPRGKRZSA-N -1 3 286.755 3.465 20 0 CGADHM [O-]c1coc2ccc(O[C@H]3CCCc4cccnc43)cc12 ZINC001233677654 818676995 /nfs/dbraw/zinc/67/69/95/818676995.db2.gz MHBACFONMVXXRG-INIZCTEOSA-N -1 3 281.311 3.113 20 0 CGADHM CC(C)[C@@H](Oc1cccc([O-])c1F)C(F)(F)F ZINC001233867367 818720737 /nfs/dbraw/zinc/72/07/37/818720737.db2.gz DCZIMMGRVVYECF-SNVBAGLBSA-N -1 3 252.207 3.497 20 0 CGADHM C[C@@H](Oc1cccc([O-])c1C(N)=O)c1cccc(Cl)c1 ZINC001234148067 818791945 /nfs/dbraw/zinc/79/19/45/818791945.db2.gz CMXJTCSDNAPMRH-SECBINFHSA-N -1 3 291.734 3.285 20 0 CGADHM CC[C@@H](Oc1cccc([O-])c1C(N)=O)c1ccccc1F ZINC001234150837 818793804 /nfs/dbraw/zinc/79/38/04/818793804.db2.gz YPOFGFOIXRVHCQ-CYBMUJFWSA-N -1 3 289.306 3.160 20 0 CGADHM C[C@H](Oc1c(Cl)ccc([O-])c1F)C1CCOCC1 ZINC001234263940 818821155 /nfs/dbraw/zinc/82/11/55/818821155.db2.gz KXCOSRGOSOUQPY-QMMMGPOBSA-N -1 3 274.719 3.379 20 0 CGADHM CC1(C)OC[C@H](CCOc2c(Cl)ccc([O-])c2F)O1 ZINC001234264139 818821280 /nfs/dbraw/zinc/82/12/80/818821280.db2.gz NNZNFAZYFHICTE-QMMMGPOBSA-N -1 3 290.718 3.105 20 0 CGADHM CCOCC(COCC)Oc1c([O-])cc(Cl)cc1F ZINC001234448638 818857244 /nfs/dbraw/zinc/85/72/44/818857244.db2.gz VURNGQMRNFTKFX-UHFFFAOYSA-N -1 3 292.734 3.005 20 0 CGADHM O=C1CC[C@@H](Oc2nc3c(cccc3[O-])[nH]2)c2ccccc21 ZINC001234445682 818857433 /nfs/dbraw/zinc/85/74/33/818857433.db2.gz BGBVHBGKLRGWPU-OAHLLOKOSA-N -1 3 294.310 3.365 20 0 CGADHM CCC[C@@H](Oc1c([O-])cc(Cl)cc1F)C(=O)OCC ZINC001234448743 818858144 /nfs/dbraw/zinc/85/81/44/818858144.db2.gz XXLJIWFNGGKHPN-LLVKDONJSA-N -1 3 290.718 3.295 20 0 CGADHM C[C@@H](Oc1nc[n-]c(=O)c1-c1ccccc1)C1CC1 ZINC001234688460 818916166 /nfs/dbraw/zinc/91/61/66/818916166.db2.gz GQTAUFKLCAUQTF-SNVBAGLBSA-N -1 3 256.305 3.027 20 0 CGADHM Cc1cc2c(ncnc2-c2cc([O-])cc(Cl)c2)[nH]1 ZINC001235899545 819209119 /nfs/dbraw/zinc/20/91/19/819209119.db2.gz IIMJFPQRZLTHEA-UHFFFAOYSA-N -1 3 259.696 3.292 20 0 CGADHM Nc1ccc2ccc(-c3cc([O-])cc(Cl)c3)nc2n1 ZINC001235903855 819213687 /nfs/dbraw/zinc/21/36/87/819213687.db2.gz KKCZIEUZJMKAOU-UHFFFAOYSA-N -1 3 271.707 3.238 20 0 CGADHM O=c1c(-c2cc([O-])cc(Cl)c2)cccn1-c1ccncc1 ZINC001235905373 819214086 /nfs/dbraw/zinc/21/40/86/819214086.db2.gz ZUBKJSIBIWWQBI-UHFFFAOYSA-N -1 3 298.729 3.259 20 0 CGADHM COc1cc(-c2ccc(-c3nnn[n-]3)cc2C)cc(C)c1F ZINC001236206848 819369249 /nfs/dbraw/zinc/36/92/49/819369249.db2.gz OEOARTXERMZEPP-UHFFFAOYSA-N -1 3 298.321 3.298 20 0 CGADHM COc1cc(-c2ccc(-c3nn[n-]n3)cc2C)cc(C)c1F ZINC001236206848 819369254 /nfs/dbraw/zinc/36/92/54/819369254.db2.gz OEOARTXERMZEPP-UHFFFAOYSA-N -1 3 298.321 3.298 20 0 CGADHM COC(=O)c1cccc(-c2c(F)ccc(C)c2[O-])c1F ZINC001236402561 819452254 /nfs/dbraw/zinc/45/22/54/819452254.db2.gz BZGAGMPOPUWNLP-UHFFFAOYSA-N -1 3 278.254 3.432 20 0 CGADHM [O-]c1cc(CN2C[C@@H](CF)[C@H](C(F)(F)F)C2)ccc1F ZINC001236703677 819576703 /nfs/dbraw/zinc/57/67/03/819576703.db2.gz PSOVCJOPHFCNEA-NXEZZACHSA-N -1 3 295.251 3.111 20 0 CGADHM [O-]c1cc(CN2CCO[C@@H](c3ccccc3)C2)ccc1F ZINC001236706556 819577233 /nfs/dbraw/zinc/57/72/33/819577233.db2.gz ZHZQOLYRCLZILR-QGZVFWFLSA-N -1 3 287.334 3.105 20 0 CGADHM [O-]c1cccc(-c2cc(C(F)(F)F)ncn2)c1F ZINC001243541867 823435907 /nfs/dbraw/zinc/43/59/07/823435907.db2.gz GGZVOYCAYSEBMZ-UHFFFAOYSA-N -1 3 258.174 3.007 20 0 CGADHM [O-]c1cccc(-c2ccc3ncc(F)cc3n2)c1F ZINC001243544853 823437270 /nfs/dbraw/zinc/43/72/70/823437270.db2.gz WHNYZHXTSQTEPZ-UHFFFAOYSA-N -1 3 258.227 3.281 20 0 CGADHM [O-]c1cccc(-c2ccnc(-c3nccs3)n2)c1F ZINC001243545646 823438202 /nfs/dbraw/zinc/43/82/02/823438202.db2.gz AJEPGQYLJAPWLJ-UHFFFAOYSA-N -1 3 273.292 3.112 20 0 CGADHM Cc1cc2cccnc2c(-c2cccc([O-])c2F)n1 ZINC001243546458 823438626 /nfs/dbraw/zinc/43/86/26/823438626.db2.gz NMHQLOCIJMJRFJ-UHFFFAOYSA-N -1 3 254.264 3.450 20 0 CGADHM COC(=O)CCc1ccccc1-c1cccc([O-])c1F ZINC001243546576 823438844 /nfs/dbraw/zinc/43/88/44/823438844.db2.gz JLHROXBUHPFKNC-UHFFFAOYSA-N -1 3 274.291 3.304 20 0 CGADHM COC(=O)c1noc2cc(-c3cccc([O-])c3F)ccc21 ZINC001243547079 823439510 /nfs/dbraw/zinc/43/95/10/823439510.db2.gz KXQVRKPMENSUMM-UHFFFAOYSA-N -1 3 287.246 3.126 20 0 CGADHM [O-]c1cccc(-c2ccc(-c3ncccn3)cn2)c1F ZINC001243547122 823439617 /nfs/dbraw/zinc/43/96/17/823439617.db2.gz MRJHWFCJVKNTNT-UHFFFAOYSA-N -1 3 267.263 3.050 20 0 CGADHM Cc1ccc(-c2cc(C(F)(F)F)[n-]c(=S)n2)c(C)n1 ZINC001239450267 820310772 /nfs/dbraw/zinc/31/07/72/820310772.db2.gz XHZOGGLXMLKBFL-UHFFFAOYSA-N -1 3 285.294 3.463 20 0 CGADHM CSc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC001239497686 820345946 /nfs/dbraw/zinc/34/59/46/820345946.db2.gz QLOQRQBDOMBIPI-UHFFFAOYSA-N -1 3 268.345 3.256 20 0 CGADHM CSc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC001239497686 820345958 /nfs/dbraw/zinc/34/59/58/820345958.db2.gz QLOQRQBDOMBIPI-UHFFFAOYSA-N -1 3 268.345 3.256 20 0 CGADHM COc1ccc(-c2nnn[n-]2)cc1-c1c(C)cccc1C ZINC001239598603 820445070 /nfs/dbraw/zinc/44/50/70/820445070.db2.gz YBJXJQBGDCPVNB-UHFFFAOYSA-N -1 3 280.331 3.159 20 0 CGADHM COc1ccc(-c2nn[n-]n2)cc1-c1c(C)cccc1C ZINC001239598603 820445076 /nfs/dbraw/zinc/44/50/76/820445076.db2.gz YBJXJQBGDCPVNB-UHFFFAOYSA-N -1 3 280.331 3.159 20 0 CGADHM Cc1ccc(-c2cc(F)cc(-c3nnn[n-]3)c2)c(C)c1 ZINC001239810887 820625910 /nfs/dbraw/zinc/62/59/10/820625910.db2.gz RHQDWCDLGKLKEX-UHFFFAOYSA-N -1 3 268.295 3.290 20 0 CGADHM Cc1ccc(-c2cc(F)cc(-c3nn[n-]n3)c2)c(C)c1 ZINC001239810887 820625912 /nfs/dbraw/zinc/62/59/12/820625912.db2.gz RHQDWCDLGKLKEX-UHFFFAOYSA-N -1 3 268.295 3.290 20 0 CGADHM c1ccc2c(c1)nccc2-c1ccccc1-c1nnn[n-]1 ZINC001239850627 820657002 /nfs/dbraw/zinc/65/70/02/820657002.db2.gz URWTULQABJTMKY-UHFFFAOYSA-N -1 3 273.299 3.082 20 0 CGADHM c1ccc2c(c1)nccc2-c1ccccc1-c1nn[n-]n1 ZINC001239850627 820657007 /nfs/dbraw/zinc/65/70/07/820657007.db2.gz URWTULQABJTMKY-UHFFFAOYSA-N -1 3 273.299 3.082 20 0 CGADHM c1ccc2c(c1)cncc2-c1ccc(-c2nnn[n-]2)cc1 ZINC001239947303 820728128 /nfs/dbraw/zinc/72/81/28/820728128.db2.gz PDADSCSSVRMYMP-UHFFFAOYSA-N -1 3 273.299 3.082 20 0 CGADHM c1ccc2c(c1)cncc2-c1ccc(-c2nn[n-]n2)cc1 ZINC001239947303 820728133 /nfs/dbraw/zinc/72/81/33/820728133.db2.gz PDADSCSSVRMYMP-UHFFFAOYSA-N -1 3 273.299 3.082 20 0 CGADHM Cc1ccc(F)c(-c2cc(F)cc(-c3nnn[n-]3)c2)c1 ZINC001239966815 820745486 /nfs/dbraw/zinc/74/54/86/820745486.db2.gz WQEGDUGQUSUIFK-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM Cc1ccc(F)c(-c2cc(F)cc(-c3nn[n-]n3)c2)c1 ZINC001239966815 820745489 /nfs/dbraw/zinc/74/54/89/820745489.db2.gz WQEGDUGQUSUIFK-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM CC(C)Oc1cccc(-c2ccc(Cc3nnn[n-]3)cc2)c1 ZINC001239970912 820749294 /nfs/dbraw/zinc/74/92/94/820749294.db2.gz UQYIKBNSAWPWLO-UHFFFAOYSA-N -1 3 294.358 3.245 20 0 CGADHM CC(C)Oc1cccc(-c2ccc(Cc3nn[n-]n3)cc2)c1 ZINC001239970912 820749301 /nfs/dbraw/zinc/74/93/01/820749301.db2.gz UQYIKBNSAWPWLO-UHFFFAOYSA-N -1 3 294.358 3.245 20 0 CGADHM S=C1Cc2ccc(C3=CCC4(CC3)OCCO4)cc2[N-]1 ZINC001240708634 821264590 /nfs/dbraw/zinc/26/45/90/821264590.db2.gz UABJAPZDJSUFLU-UHFFFAOYSA-N -1 3 287.384 3.292 20 0 CGADHM FC(F)c1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001240770566 821315382 /nfs/dbraw/zinc/31/53/82/821315382.db2.gz QQQQFTXMPZOWSK-UHFFFAOYSA-N -1 3 272.258 3.471 20 0 CGADHM FC(F)c1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001240770566 821315389 /nfs/dbraw/zinc/31/53/89/821315389.db2.gz QQQQFTXMPZOWSK-UHFFFAOYSA-N -1 3 272.258 3.471 20 0 CGADHM CSc1ncc2ccc(-c3ccc([O-])c(F)c3)nc2n1 ZINC001240782760 821320908 /nfs/dbraw/zinc/32/09/08/821320908.db2.gz IGJUFJCAQYXQMJ-UHFFFAOYSA-N -1 3 287.319 3.258 20 0 CGADHM [O-]c1ccc(-c2ccc(OC(F)F)cn2)cc1F ZINC001240781735 821322140 /nfs/dbraw/zinc/32/21/40/821322140.db2.gz GZUQSQPXWWKVBA-UHFFFAOYSA-N -1 3 255.195 3.195 20 0 CGADHM [O-]c1ccc(-c2ccnc(N3CCCC3)c2)cc1F ZINC001240785645 821324270 /nfs/dbraw/zinc/32/42/70/821324270.db2.gz KXUYJSGJIYOHGF-UHFFFAOYSA-N -1 3 258.296 3.194 20 0 CGADHM COc1ncc2cc[nH]c2c1-c1ccc([O-])c(F)c1 ZINC001240786816 821326705 /nfs/dbraw/zinc/32/67/05/821326705.db2.gz WYTZRTPGHOFTMQ-UHFFFAOYSA-N -1 3 258.252 3.083 20 0 CGADHM [O-]c1ccc(-c2ccccc2Cn2ccnc2)cc1F ZINC001240786534 821327630 /nfs/dbraw/zinc/32/76/30/821327630.db2.gz LZXZODMRKRDCRA-UHFFFAOYSA-N -1 3 268.291 3.443 20 0 CGADHM COc1ccc(-c2ccc([O-])c(F)c2)cc1NC(C)=O ZINC001240787899 821329384 /nfs/dbraw/zinc/32/93/84/821329384.db2.gz VIQRYFMVKVAOAA-UHFFFAOYSA-N -1 3 275.279 3.165 20 0 CGADHM [O-]c1ccc(-c2cccnc2OC(F)F)cc1F ZINC001240789777 821332455 /nfs/dbraw/zinc/33/24/55/821332455.db2.gz DKUZXKPKSOIBMR-UHFFFAOYSA-N -1 3 255.195 3.195 20 0 CGADHM CCOc1cc(-c2ccc([O-])c(F)c2)cnc1F ZINC001240790085 821333193 /nfs/dbraw/zinc/33/31/93/821333193.db2.gz KBKCFPNSZUJSAB-UHFFFAOYSA-N -1 3 251.232 3.131 20 0 CGADHM COC(=O)c1c(F)ccc(-c2ccc([O-])c(F)c2)c1OC ZINC001240791257 821335223 /nfs/dbraw/zinc/33/52/23/821335223.db2.gz WRLJQPJSMUQCBV-UHFFFAOYSA-N -1 3 294.253 3.133 20 0 CGADHM Cc1ccc(-c2ccc(OC(C)C)nc2)cc1-c1nnn[n-]1 ZINC001240810382 821351826 /nfs/dbraw/zinc/35/18/26/821351826.db2.gz VJLPEJRXPHFCKX-UHFFFAOYSA-N -1 3 295.346 3.024 20 0 CGADHM Cc1ccc(-c2ccc(OC(C)C)nc2)cc1-c1nn[n-]n1 ZINC001240810382 821351831 /nfs/dbraw/zinc/35/18/31/821351831.db2.gz VJLPEJRXPHFCKX-UHFFFAOYSA-N -1 3 295.346 3.024 20 0 CGADHM [O-]c1ccccc1-c1cccc(OCC(F)(F)F)n1 ZINC001241003444 821482456 /nfs/dbraw/zinc/48/24/56/821482456.db2.gz NFIMPZVFWKLGMO-UHFFFAOYSA-N -1 3 269.222 3.395 20 0 CGADHM COC(=O)c1cc(-c2ccccc2[O-])nc(C(F)(F)F)c1 ZINC001241003949 821483546 /nfs/dbraw/zinc/48/35/46/821483546.db2.gz YXCVDFIFSZURJE-UHFFFAOYSA-N -1 3 297.232 3.260 20 0 CGADHM COC(=O)/C=C/c1cc2cc[nH]c2c(-c2ccccc2[O-])n1 ZINC001241008173 821485160 /nfs/dbraw/zinc/48/51/60/821485160.db2.gz MRZBEJFAYYPWMV-VOTSOKGWSA-N -1 3 294.310 3.122 20 0 CGADHM COc1ccc2ncc(-c3ccc(C)cc3[O-])nc2c1 ZINC001241031111 821505744 /nfs/dbraw/zinc/50/57/44/821505744.db2.gz YRLNTDPJOCMWHW-UHFFFAOYSA-N -1 3 266.300 3.319 20 0 CGADHM Cc1ccc(-c2cnc(-c3ccco3)cn2)c([O-])c1 ZINC001241030368 821505849 /nfs/dbraw/zinc/50/58/49/821505849.db2.gz IWUQDJKFYGNLCT-UHFFFAOYSA-N -1 3 252.273 3.418 20 0 CGADHM COC(=O)c1c(C)cc(C)nc1-c1ccc(C)cc1[O-] ZINC001241030785 821506509 /nfs/dbraw/zinc/50/65/09/821506509.db2.gz SRHIKGGXJOOBME-UHFFFAOYSA-N -1 3 271.316 3.166 20 0 CGADHM CCOc1cc(-c2ccccc2-c2nnn[n-]2)ccc1F ZINC001241069506 821538368 /nfs/dbraw/zinc/53/83/68/821538368.db2.gz PDPGXFQMDVVETI-UHFFFAOYSA-N -1 3 284.294 3.072 20 0 CGADHM CCOc1cc(-c2ccccc2-c2nn[n-]n2)ccc1F ZINC001241069506 821538373 /nfs/dbraw/zinc/53/83/73/821538373.db2.gz PDPGXFQMDVVETI-UHFFFAOYSA-N -1 3 284.294 3.072 20 0 CGADHM Nc1cc(-c2cc([O-])cc(F)c2)ncc1C(F)(F)F ZINC001241256086 821675938 /nfs/dbraw/zinc/67/59/38/821675938.db2.gz MTFWIWPRVSODCZ-UHFFFAOYSA-N -1 3 272.201 3.194 20 0 CGADHM CC(C)(C)NC(=O)c1ccnc(-c2cc([O-])cc(F)c2)c1 ZINC001241262777 821682375 /nfs/dbraw/zinc/68/23/75/821682375.db2.gz UHZBDEGASGKGIW-UHFFFAOYSA-N -1 3 288.322 3.122 20 0 CGADHM Cc1ncc2ccc(-c3cc([O-])cc(F)c3)cc2n1 ZINC001241271321 821690318 /nfs/dbraw/zinc/69/03/18/821690318.db2.gz QCJHGAQHRAATBP-UHFFFAOYSA-N -1 3 254.264 3.450 20 0 CGADHM COc1nc2[nH]ccc2cc1-c1cc([O-])cc(F)c1 ZINC001241277686 821696640 /nfs/dbraw/zinc/69/66/40/821696640.db2.gz OYBLRPZUNNRYPJ-UHFFFAOYSA-N -1 3 258.252 3.035 20 0 CGADHM O=C1OCc2cc(-c3cc([O-])cc(F)c3)cc(F)c21 ZINC001241283194 821703509 /nfs/dbraw/zinc/70/35/09/821703509.db2.gz SSJGEOIEFHIILU-UHFFFAOYSA-N -1 3 262.211 3.008 20 0 CGADHM Cc1nc2cncc(-c3c(F)ccc([O-])c3F)c2o1 ZINC001241293197 821711364 /nfs/dbraw/zinc/71/13/64/821711364.db2.gz CHKXDTFJSYTIIT-UHFFFAOYSA-N -1 3 262.215 3.182 20 0 CGADHM [O-]c1ccc(F)c(-c2ccc(OC(F)F)nc2)c1F ZINC001241293040 821711671 /nfs/dbraw/zinc/71/16/71/821711671.db2.gz PCPRFAJWRRTBDP-UHFFFAOYSA-N -1 3 273.185 3.334 20 0 CGADHM [O-]c1ccc(F)c(-c2cccc3cnncc32)c1F ZINC001241294509 821712231 /nfs/dbraw/zinc/71/22/31/821712231.db2.gz ZWJQNYNUUTXJMN-UHFFFAOYSA-N -1 3 258.227 3.281 20 0 CGADHM Cc1c(-c2c(F)ccc([O-])c2F)ccc2nccn21 ZINC001241295728 821714108 /nfs/dbraw/zinc/71/41/08/821714108.db2.gz YZAHCJRFGWIALU-UHFFFAOYSA-N -1 3 260.243 3.294 20 0 CGADHM Cc1cccc2c1ccnc2-c1ccc(-c2nnn[n-]2)cc1 ZINC001241441155 821834850 /nfs/dbraw/zinc/83/48/50/821834850.db2.gz CGOFIBIXDXLKBV-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM Cc1cccc2c1ccnc2-c1ccc(-c2nn[n-]n2)cc1 ZINC001241441155 821834861 /nfs/dbraw/zinc/83/48/61/821834861.db2.gz CGOFIBIXDXLKBV-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM Fc1ccc2cnc(-c3ccc(-c4nnn[n-]4)cc3)cc2c1 ZINC001241443022 821836165 /nfs/dbraw/zinc/83/61/65/821836165.db2.gz YYAWZAWPWKCMSB-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Fc1ccc2cnc(-c3ccc(-c4nn[n-]n4)cc3)cc2c1 ZINC001241443022 821836173 /nfs/dbraw/zinc/83/61/73/821836173.db2.gz YYAWZAWPWKCMSB-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Fc1cc(-c2ccc(-c3nnn[n-]3)cc2)cc2cccnc12 ZINC001241443155 821836853 /nfs/dbraw/zinc/83/68/53/821836853.db2.gz AKZTZFOTQQFJBR-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Fc1cc(-c2ccc(-c3nn[n-]n3)cc2)cc2cccnc12 ZINC001241443155 821836856 /nfs/dbraw/zinc/83/68/56/821836856.db2.gz AKZTZFOTQQFJBR-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Cc1cc2ncccc2c(-c2ccc(-c3nnn[n-]3)cc2)c1 ZINC001241444544 821837965 /nfs/dbraw/zinc/83/79/65/821837965.db2.gz FAECPRYEXJVGFN-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM Cc1cc2ncccc2c(-c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001241444544 821837974 /nfs/dbraw/zinc/83/79/74/821837974.db2.gz FAECPRYEXJVGFN-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM Cc1ccc(-c2ccc(-c3nnn[n-]3)cc2)c2ncccc12 ZINC001241444983 821841047 /nfs/dbraw/zinc/84/10/47/821841047.db2.gz GXTQYXAJNCXEBD-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM Cc1ccc(-c2ccc(-c3nn[n-]n3)cc2)c2ncccc12 ZINC001241444983 821841056 /nfs/dbraw/zinc/84/10/56/821841056.db2.gz GXTQYXAJNCXEBD-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM CCCOc1cccc(-c2cc(F)cc(-c3nnn[n-]3)c2)c1 ZINC001241593922 821978201 /nfs/dbraw/zinc/97/82/01/821978201.db2.gz XFEFPYZJZPZMII-UHFFFAOYSA-N -1 3 298.321 3.462 20 0 CGADHM CCCOc1cccc(-c2cc(F)cc(-c3nn[n-]n3)c2)c1 ZINC001241593922 821978210 /nfs/dbraw/zinc/97/82/10/821978210.db2.gz XFEFPYZJZPZMII-UHFFFAOYSA-N -1 3 298.321 3.462 20 0 CGADHM Fc1ccc(-c2nnn[n-]2)cc1-c1ccc2scnc2c1 ZINC001241869397 822187854 /nfs/dbraw/zinc/18/78/54/822187854.db2.gz HNSCNKNHOHZBCB-UHFFFAOYSA-N -1 3 297.318 3.283 20 0 CGADHM Fc1ccc(-c2nn[n-]n2)cc1-c1ccc2scnc2c1 ZINC001241869397 822187855 /nfs/dbraw/zinc/18/78/55/822187855.db2.gz HNSCNKNHOHZBCB-UHFFFAOYSA-N -1 3 297.318 3.283 20 0 CGADHM COCOc1cncc(-c2ccc([O-])c(C(F)(F)F)c2)c1 ZINC001242168299 822900873 /nfs/dbraw/zinc/90/08/73/822900873.db2.gz MFHAIBVUWVSJEP-UHFFFAOYSA-N -1 3 299.248 3.456 20 0 CGADHM O=C1CCc2cc(-c3ccc(F)cc3[O-])ccc2O1 ZINC001242218120 822915076 /nfs/dbraw/zinc/91/50/76/822915076.db2.gz SZXASCQDVSUUIN-UHFFFAOYSA-N -1 3 258.248 3.050 20 0 CGADHM [O-]c1cc(F)ccc1-c1cc(F)c2nccnc2c1 ZINC001242218896 822915533 /nfs/dbraw/zinc/91/55/33/822915533.db2.gz SFWJNUYAZOXHFO-UHFFFAOYSA-N -1 3 258.227 3.281 20 0 CGADHM CC1(C)NC(=O)c2cc(-c3ccc(F)cc3[O-])ccc21 ZINC001242219674 822916328 /nfs/dbraw/zinc/91/63/28/822916328.db2.gz LFRPTGJZXBQFEZ-UHFFFAOYSA-N -1 3 271.291 3.177 20 0 CGADHM CCOC(=O)Cc1ccc(-c2ccc(F)cc2[O-])cc1F ZINC001242219822 822916398 /nfs/dbraw/zinc/91/63/98/822916398.db2.gz SGWTVBOZEFBMGK-UHFFFAOYSA-N -1 3 292.281 3.443 20 0 CGADHM O=C1CC[C@H](c2ccc(-c3ccc(F)cc3[O-])cc2)N1 ZINC001242220987 822916757 /nfs/dbraw/zinc/91/67/57/822916757.db2.gz FYJZCWSYLCMIPJ-CQSZACIVSA-N -1 3 271.291 3.149 20 0 CGADHM C=CC(=O)Oc1ccc(-c2cccc(F)c2[O-])cc1 ZINC001242353319 822962860 /nfs/dbraw/zinc/96/28/60/822962860.db2.gz MFMXXTBOKYCMBQ-UHFFFAOYSA-N -1 3 258.248 3.290 20 0 CGADHM COC(=O)c1cc(F)c(C)c(-c2cccc(F)c2[O-])c1 ZINC001242352540 822962874 /nfs/dbraw/zinc/96/28/74/822962874.db2.gz XWXLUEYQCVRCCS-UHFFFAOYSA-N -1 3 278.254 3.432 20 0 CGADHM Fc1ccc(-c2nnn[n-]2)cc1-c1cccc2cc[nH]c21 ZINC001242363335 822967508 /nfs/dbraw/zinc/96/75/08/822967508.db2.gz JLECELWMYPOQRX-UHFFFAOYSA-N -1 3 279.278 3.154 20 0 CGADHM Fc1ccc(-c2nn[n-]n2)cc1-c1cccc2cc[nH]c21 ZINC001242363335 822967510 /nfs/dbraw/zinc/96/75/10/822967510.db2.gz JLECELWMYPOQRX-UHFFFAOYSA-N -1 3 279.278 3.154 20 0 CGADHM CC(C)c1nc(CN[C@](C)(CC(=O)[O-])C(C)C)cs1 ZINC001339134484 936352595 /nfs/dbraw/zinc/35/25/95/936352595.db2.gz NIGWWBQABSNKDD-CQSZACIVSA-N -1 3 284.425 3.246 20 0 CGADHM CCc1ccc([C@@H](COC)NCc2ccc([O-])c(F)c2)o1 ZINC001335465709 936147248 /nfs/dbraw/zinc/14/72/48/936147248.db2.gz LDLPEGYAHAUNAS-CQSZACIVSA-N -1 3 293.338 3.164 20 0 CGADHM O=C(OC1CCC1)c1cccc2[n-]c(C(F)F)nc21 ZINC001343465747 936502526 /nfs/dbraw/zinc/50/25/26/936502526.db2.gz FEUAJIPKGGSVHW-UHFFFAOYSA-N -1 3 266.247 3.210 20 0 CGADHM COc1ccc(CCCCCC(=O)[N-]OC(C)C)cc1 ZINC001344389351 936532727 /nfs/dbraw/zinc/53/27/27/936532727.db2.gz AWLFKRFBUIFZQT-UHFFFAOYSA-N -1 3 279.380 3.254 20 0 CGADHM Cc1cnc2ccccc2c1N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC001345458015 936811833 /nfs/dbraw/zinc/81/18/33/936811833.db2.gz CJGOKUUBEPQZIA-DGCLKSJQSA-N -1 3 284.359 3.090 20 0 CGADHM Cc1cc(CNC[C@@H](CCC(=O)[O-])C(F)(F)F)c(C)o1 ZINC001350427671 936990651 /nfs/dbraw/zinc/99/06/51/936990651.db2.gz AQUAIBQEFMAHPM-LLVKDONJSA-N -1 3 293.285 3.029 20 0 CGADHM Cc1cc(CNC[C@H](CCC(=O)[O-])C(F)(F)F)c(C)o1 ZINC001350427686 936991010 /nfs/dbraw/zinc/99/10/10/936991010.db2.gz AQUAIBQEFMAHPM-NSHDSACASA-N -1 3 293.285 3.029 20 0 CGADHM C[C@H](Oc1ncc(Br)cc1[O-])c1ccccn1 ZINC001228955666 927312040 /nfs/dbraw/zinc/31/20/40/927312040.db2.gz KOLGUSIIZXAHDE-QMMMGPOBSA-N -1 3 295.136 3.085 20 0 CGADHM CCc1ccc(C(=O)N[C@H]2CCCC[C@H]2C)c([O-])c1 ZINC001440437135 928095057 /nfs/dbraw/zinc/09/50/57/928095057.db2.gz OEIGXQWILSHRTN-RISCZKNCSA-N -1 3 261.365 3.263 20 0 CGADHM CC(=O)c1ccc(C(=O)N(C)c2ccc(C)cc2)cc1[O-] ZINC001442878067 937344755 /nfs/dbraw/zinc/34/47/55/937344755.db2.gz ROEIBSQFCSBNNP-UHFFFAOYSA-N -1 3 283.327 3.180 20 0 CGADHM C[C@@H]1Cc2cccc(C(=O)Nc3cccc([O-])c3F)c2O1 ZINC001446240271 937362877 /nfs/dbraw/zinc/36/28/77/937362877.db2.gz LMZFCKPMDCMMLI-SECBINFHSA-N -1 3 287.290 3.107 20 0 CGADHM COc1cccc([O-])c1C(=O)N[C@@H]1CCC[C@@H]1C(C)(C)C ZINC001451304708 937389675 /nfs/dbraw/zinc/38/96/75/937389675.db2.gz TXNWFMBVPXONST-NWDGAFQWSA-N -1 3 291.391 3.345 20 0 CGADHM Cc1cccc([O-])c1C(=O)N[C@@H]1C[C@H]1CC(C)(C)C ZINC001452913658 937399299 /nfs/dbraw/zinc/39/92/99/937399299.db2.gz NCDSFNKRTFHHED-NWDGAFQWSA-N -1 3 261.365 3.255 20 0 CGADHM Cc1ccc(C(=O)Nc2nc(-c3ccccc3)c[nH]2)c([O-])c1 ZINC001457730952 937445367 /nfs/dbraw/zinc/44/53/67/937445367.db2.gz PZKFTXVJRWJBJQ-UHFFFAOYSA-N -1 3 293.326 3.343 20 0 CGADHM CC1(C)CCN(Cc2cc(F)c([O-])c(F)c2)CC1 ZINC000133930993 931974501 /nfs/dbraw/zinc/97/45/01/931974501.db2.gz YJPNORFSUORPKV-UHFFFAOYSA-N -1 3 255.308 3.292 20 0 CGADHM CCCCNC(=O)Nc1ccc(Br)cc1[O-] ZINC000196690066 932034211 /nfs/dbraw/zinc/03/42/11/932034211.db2.gz VSRAQYUWUFGJHP-UHFFFAOYSA-N -1 3 287.157 3.076 20 0 CGADHM CCCOC[C@@H](C)Oc1cccc([O-])c1Br ZINC001229140198 932104664 /nfs/dbraw/zinc/10/46/64/932104664.db2.gz WORUXRDVNPSVSH-SECBINFHSA-N -1 3 289.169 3.349 20 0 CGADHM Cc1nc(O[C@@H](C)c2ccc(F)cc2)c(C)c(=O)[n-]1 ZINC001229684639 932188865 /nfs/dbraw/zinc/18/88/65/932188865.db2.gz FAVXSEGSJPMCCI-VIFPVBQESA-N -1 3 262.284 3.078 20 0 CGADHM CC[C@@H](C)CC[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC001229952273 932508270 /nfs/dbraw/zinc/50/82/70/932508270.db2.gz ACWALCIUJGVVKW-VXGBXAGGSA-N -1 3 274.368 3.460 20 0 CGADHM CC[C@@H](C)CC[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC001229952273 932508275 /nfs/dbraw/zinc/50/82/75/932508275.db2.gz ACWALCIUJGVVKW-VXGBXAGGSA-N -1 3 274.368 3.460 20 0 CGADHM O=c1nc2cccc(Cl)c2c(O[C@@H]2C[C@H]3C[C@H]3C2)[n-]1 ZINC001230885190 932636684 /nfs/dbraw/zinc/63/66/84/932636684.db2.gz JBUZYVSSMMJEGG-AYMMMOKOSA-N -1 3 276.723 3.166 20 0 CGADHM C[C@@H]1CC[C@@H](C)[C@H](Oc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001231072394 932671422 /nfs/dbraw/zinc/67/14/22/932671422.db2.gz CDPHPWFUZIQTIO-JTNHKYCSSA-N -1 3 272.352 3.070 20 0 CGADHM C[C@H](Oc1[n-]c(=O)nc2cccc(F)c21)c1ccncc1 ZINC001231075073 932673167 /nfs/dbraw/zinc/67/31/67/932673167.db2.gz WLOBCXMPXUYVOS-VIFPVBQESA-N -1 3 285.278 3.010 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2n[nH]cc2-c2ccccc2)c1 ZINC001304747202 932854803 /nfs/dbraw/zinc/85/48/03/932854803.db2.gz YHUQUVBEWHPROK-UHFFFAOYSA-N -1 3 293.326 3.343 20 0 CGADHM Cc1nc(C)c(C)c(NCCc2c(F)cc([O-])cc2F)n1 ZINC001307216741 932930614 /nfs/dbraw/zinc/93/06/14/932930614.db2.gz ZHAZWYVVPBZTRC-UHFFFAOYSA-N -1 3 293.317 3.040 20 0 CGADHM Cc1cc(S(=O)(=O)[N-]CC2=CCCC2)sc1Cl ZINC001309699331 933241498 /nfs/dbraw/zinc/24/14/98/933241498.db2.gz LEPOGKUAMZZKBM-UHFFFAOYSA-N -1 3 291.825 3.099 20 0 CGADHM CS[C@H](CNC(=O)c1c(C)cccc1[O-])C(C)(C)C ZINC001466827786 937712954 /nfs/dbraw/zinc/71/29/54/937712954.db2.gz QRCCYVCHMICRGX-GFCCVEGCSA-N -1 3 281.421 3.208 20 0 CGADHM CC(C)(C)O[N-]C(=O)CCc1cncc2ccccc21 ZINC001320257944 934021659 /nfs/dbraw/zinc/02/16/59/934021659.db2.gz GHTDZPLSPWAMBL-UHFFFAOYSA-N -1 3 272.348 3.014 20 0 CGADHM CSc1ccc([O-])c(C(=O)NC[C@@H]2C[C@@H]2[C@H]2C[C@@H]2C)c1 ZINC001471882844 937770200 /nfs/dbraw/zinc/77/02/00/937770200.db2.gz ODPVXTQARJYVKX-UKJIMTQDSA-N -1 3 291.416 3.136 20 0 CGADHM Cc1cnc(CNC[C@@H](CC(=O)[O-])C2CCCCCC2)o1 ZINC001334053655 936081580 /nfs/dbraw/zinc/08/15/80/936081580.db2.gz CBWMVOCNMBGLDN-CQSZACIVSA-N -1 3 294.395 3.134 20 0 CGADHM CC(C)c1ocnc1CN1[C@H](C)C[C@H](C)[C@H](C(=O)[O-])[C@@H]1C ZINC001334739519 936111219 /nfs/dbraw/zinc/11/12/19/936111219.db2.gz WZKVIFZORQBKHD-OPDFLTKYSA-N -1 3 294.395 3.118 20 0 CGADHM CCc1ccc(C(=O)N2CC[C@H]2C(C)(C)C)c([O-])c1 ZINC001337603079 936272637 /nfs/dbraw/zinc/27/26/37/936272637.db2.gz BGTATECVLDTLMX-AWEZNQCLSA-N -1 3 261.365 3.215 20 0 CGADHM [O-]c1ccc(F)c(CN2CCC(F)(C3CC3)CC2)c1F ZINC001474734343 937878088 /nfs/dbraw/zinc/87/80/88/937878088.db2.gz RLMOUZXQFQMAPR-UHFFFAOYSA-N -1 3 285.309 3.385 20 0 CGADHM CCc1ccc(-c2cc(C(=O)[N-]c3cc(C)on3)no2)cc1 ZINC001527806825 938063885 /nfs/dbraw/zinc/06/38/85/938063885.db2.gz XMLWGSBSYNQLFP-UHFFFAOYSA-N -1 3 297.314 3.453 20 0 CGADHM Cc1ccc([C@@H](CC(F)(F)F)[N-]C(=O)C(F)F)cc1 ZINC001528117625 938065749 /nfs/dbraw/zinc/06/57/49/938065749.db2.gz KUOPAWFAQGFUDH-SECBINFHSA-N -1 3 281.224 3.370 20 0 CGADHM CC(C)c1cccc(C(=O)Nc2n[n-]c(-c3ccco3)n2)c1 ZINC001538334475 938117243 /nfs/dbraw/zinc/11/72/43/938117243.db2.gz RZRFYTRWPGDBIF-UHFFFAOYSA-N -1 3 296.330 3.440 20 0 CGADHM Cc1coc(C(=O)[N-]c2c(F)cc(F)cc2F)c1 ZINC001539717021 938125929 /nfs/dbraw/zinc/12/59/29/938125929.db2.gz JZERFOAISFXVAS-UHFFFAOYSA-N -1 3 255.195 3.258 20 0 CGADHM O=C([N-]c1nc(C2CC2)no1)c1cc(F)cc2ccoc21 ZINC001543949491 938142574 /nfs/dbraw/zinc/14/25/74/938142574.db2.gz SSAWFGYQKSEECZ-UHFFFAOYSA-N -1 3 287.250 3.085 20 0 CGADHM CC(C)O[N-]C(=O)[C@@H]1C2CCC(CC2)[C@H]1C(F)(F)F ZINC001552145285 938190067 /nfs/dbraw/zinc/19/00/67/938190067.db2.gz UVNOTKZVDVSEPU-JPPWEJMLSA-N -1 3 279.302 3.057 20 0 CGADHM CSc1ccc([O-])c(C(=O)NC[C@@H]2CCC[C@@H]2C)c1 ZINC001556342942 938203308 /nfs/dbraw/zinc/20/33/08/938203308.db2.gz FSBSFVBOZJVYQL-QWRGUYRKSA-N -1 3 279.405 3.280 20 0 CGADHM CC[C@@H](C)[C@@H](CNC(=O)c1ccc(C(C)C)cc1[O-])OC ZINC001556689612 938205088 /nfs/dbraw/zinc/20/50/88/938205088.db2.gz WZNDNHMFXOOUDH-MLGOLLRUSA-N -1 3 293.407 3.307 20 0 CGADHM O=C(Cc1cccnc1Cl)Nc1c([O-])cccc1Cl ZINC001556783964 938205794 /nfs/dbraw/zinc/20/57/94/938205794.db2.gz GTJOUXVVLJHCJW-UHFFFAOYSA-N -1 3 297.141 3.275 20 0 CGADHM CC(=O)c1cccc(NC(=O)[C@@H](F)c2ccccc2)c1[O-] ZINC001556853506 938206191 /nfs/dbraw/zinc/20/61/91/938206191.db2.gz KLAVHBBVYOVQMO-AWEZNQCLSA-N -1 3 287.290 3.244 20 0 CGADHM Cc1cccc([O-])c1C(=O)NC[C@@H]1CCC[C@@H]1C1CC1 ZINC001557023894 938207365 /nfs/dbraw/zinc/20/73/65/938207365.db2.gz BRMDOMYIJLMWBZ-UONOGXRCSA-N -1 3 273.376 3.257 20 0 CGADHM CC(=O)c1ccc(C(=O)NCC2CCC=CCC2)cc1[O-] ZINC001558482587 938215644 /nfs/dbraw/zinc/21/56/44/938215644.db2.gz LUWORRLBWQHWNN-UHFFFAOYSA-N -1 3 287.359 3.071 20 0 CGADHM Cc1cccc([O-])c1C(=O)N[C@H]1CCCc2ccccc2C1 ZINC001558648530 938216810 /nfs/dbraw/zinc/21/68/10/938216810.db2.gz VBVCTIZCPLIFTI-INIZCTEOSA-N -1 3 295.382 3.378 20 0 CGADHM Cc1ccc(-c2nc(NC(=O)C[C@H]3CC=CCC3)n[n-]2)o1 ZINC001558947909 938218389 /nfs/dbraw/zinc/21/83/89/938218389.db2.gz HKSKUFKXRAZQAR-NSHDSACASA-N -1 3 286.335 3.058 20 0 CGADHM CC(C)CC[C@H](C)Nc1cccc(-c2nnn[n-]2)c1 ZINC000037102113 944604907 /nfs/dbraw/zinc/60/49/07/944604907.db2.gz CFIBFACPTDAJFX-NSHDSACASA-N -1 3 259.357 3.103 20 0 CGADHM CC(C)CC[C@H](C)Nc1cccc(-c2nn[n-]n2)c1 ZINC000037102113 944604923 /nfs/dbraw/zinc/60/49/23/944604923.db2.gz CFIBFACPTDAJFX-NSHDSACASA-N -1 3 259.357 3.103 20 0 CGADHM Cn1cccc1[C@@H]1CCCN1Cc1cccc(C(=O)[O-])c1 ZINC001594551621 955731767 /nfs/dbraw/zinc/73/17/67/955731767.db2.gz ODZKMROCBCCZRU-INIZCTEOSA-N -1 3 284.359 3.060 20 0 CGADHM CC(C)c1nccn1Cc1c2ccccc2oc1C(=O)[O-] ZINC000020433687 957142922 /nfs/dbraw/zinc/14/29/22/957142922.db2.gz YGNIZPBZVCHSGL-UHFFFAOYSA-N -1 3 284.315 3.499 20 0 CGADHM COc1cccc([C@H](C)NCc2cc(C(=O)[O-])cs2)c1 ZINC000095005008 958328329 /nfs/dbraw/zinc/32/83/29/958328329.db2.gz XINULWZQFPXPNC-JTQLQIEISA-N -1 3 291.372 3.306 20 0 CGADHM Cc1cc(CNCc2ccsc2C(=O)[O-])ccc1F ZINC001600209859 960544008 /nfs/dbraw/zinc/54/40/08/960544008.db2.gz VAXMDPUYQZLSMJ-UHFFFAOYSA-N -1 3 279.336 3.184 20 0 CGADHM O=C(Nc1cc(=O)c(Cl)c[nH]1)c1cc([O-])ccc1Cl ZINC001568030158 961494878 /nfs/dbraw/zinc/49/48/78/961494878.db2.gz NEJQXBHAKJSLDZ-UHFFFAOYSA-N -1 3 299.113 3.052 20 0 CGADHM CC(=O)CCCCCNC(=O)c1ccc(C(C)C)cc1[O-] ZINC001569037588 961670122 /nfs/dbraw/zinc/67/01/22/961670122.db2.gz OUBJLMJPFFUMQC-UHFFFAOYSA-N -1 3 291.391 3.395 20 0 CGADHM Cc1ccc(C(=O)NCC2(C3CCC3)CCC2)c([O-])c1 ZINC001570128335 961910429 /nfs/dbraw/zinc/91/04/29/961910429.db2.gz NHOOTHMYYUIAMG-UHFFFAOYSA-N -1 3 273.376 3.401 20 0 CGADHM C=C/C=C/CCNc1nc(C(C)(C)C)ccc1-c1nnn[n-]1 ZINC001573315699 962237344 /nfs/dbraw/zinc/23/73/44/962237344.db2.gz NXCVSQWGGFNSKJ-VOTSOKGWSA-N -1 3 298.394 3.103 20 0 CGADHM C=C/C=C/CCNc1nc(C(C)(C)C)ccc1-c1nn[n-]n1 ZINC001573315699 962237356 /nfs/dbraw/zinc/23/73/56/962237356.db2.gz NXCVSQWGGFNSKJ-VOTSOKGWSA-N -1 3 298.394 3.103 20 0 CGADHM C[C@H]1CCC[C@@H](COc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001576153969 962441063 /nfs/dbraw/zinc/44/10/63/962441063.db2.gz NXADHWJHOGGKKU-WDEREUQCSA-N -1 3 290.342 3.211 20 0 CGADHM C[C@H]1CCC[C@@H](COc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001576153969 962441073 /nfs/dbraw/zinc/44/10/73/962441073.db2.gz NXADHWJHOGGKKU-WDEREUQCSA-N -1 3 290.342 3.211 20 0 CGADHM Cc1cnc(SCc2ccc(-c3nnn[n-]3)cc2)c(C)c1 ZINC001581321009 962751941 /nfs/dbraw/zinc/75/19/41/962751941.db2.gz PDLJYMMWNDMSLZ-UHFFFAOYSA-N -1 3 297.387 3.171 20 0 CGADHM Cc1cnc(SCc2ccc(-c3nn[n-]n3)cc2)c(C)c1 ZINC001581321009 962751951 /nfs/dbraw/zinc/75/19/51/962751951.db2.gz PDLJYMMWNDMSLZ-UHFFFAOYSA-N -1 3 297.387 3.171 20 0 CGADHM Cc1cc(NC2CCC3(CC3)CC2)cc(-c2nnn[n-]2)c1 ZINC001581003907 962752862 /nfs/dbraw/zinc/75/28/62/962752862.db2.gz HBNJWCUGFYESHX-UHFFFAOYSA-N -1 3 283.379 3.310 20 0 CGADHM Cc1cc(NC2CCC3(CC3)CC2)cc(-c2nn[n-]n2)c1 ZINC001581003907 962752875 /nfs/dbraw/zinc/75/28/75/962752875.db2.gz HBNJWCUGFYESHX-UHFFFAOYSA-N -1 3 283.379 3.310 20 0 CGADHM CCc1cccc(CNC(=O)c2ccc(CC)cc2[O-])c1 ZINC001583440018 962812781 /nfs/dbraw/zinc/81/27/81/962812781.db2.gz ZJFZKMIPGBGSPB-UHFFFAOYSA-N -1 3 283.371 3.447 20 0 CGADHM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1nccnc1C ZINC001584365882 962911965 /nfs/dbraw/zinc/91/19/65/962911965.db2.gz CVIOEJNEPFHSGQ-UHFFFAOYSA-N -1 3 294.314 3.001 20 0 CGADHM CCc1cccc(C(=O)Nc2ccnn2C(C)(C)C)c1[O-] ZINC001585479513 963016555 /nfs/dbraw/zinc/01/65/55/963016555.db2.gz HNAIYVPXQGNOBA-UHFFFAOYSA-N -1 3 287.363 3.158 20 0 CGADHM Cc1cccc(CO[N-]C(=O)C[C@H](C)CC(C)(C)C)n1 ZINC001586074538 963063729 /nfs/dbraw/zinc/06/37/29/963063729.db2.gz YTCOHTZQKCJPDN-LBPRGKRZSA-N -1 3 278.396 3.400 20 0 CGADHM CC(=O)Nc1cccc(NC(=O)c2c(C)cccc2[O-])c1C ZINC001588155438 963253582 /nfs/dbraw/zinc/25/35/82/963253582.db2.gz YHALFDJJIRROIP-UHFFFAOYSA-N -1 3 298.342 3.220 20 0 CGADHM c1cc(SCCC2=CCCCC2)ncc1-c1nnn[n-]1 ZINC001588384547 963269839 /nfs/dbraw/zinc/26/98/39/963269839.db2.gz VMXAYNULPGBIJQ-UHFFFAOYSA-N -1 3 287.392 3.244 20 0 CGADHM c1cc(SCCC2=CCCCC2)ncc1-c1nn[n-]n1 ZINC001588384547 963269848 /nfs/dbraw/zinc/26/98/48/963269848.db2.gz VMXAYNULPGBIJQ-UHFFFAOYSA-N -1 3 287.392 3.244 20 0 CGADHM CC(C)(C)CSCc1cc(F)ccc1-c1nnn[n-]1 ZINC001589131092 963347556 /nfs/dbraw/zinc/34/75/56/963347556.db2.gz XALZOJSQBNAGEQ-UHFFFAOYSA-N -1 3 280.372 3.285 20 0 CGADHM CC(C)(C)CSCc1cc(F)ccc1-c1nn[n-]n1 ZINC001589131092 963347569 /nfs/dbraw/zinc/34/75/69/963347569.db2.gz XALZOJSQBNAGEQ-UHFFFAOYSA-N -1 3 280.372 3.285 20 0 CGADHM CC(C)(C)CSCc1cccc(-c2nnn[n-]2)c1 ZINC001589130862 963351688 /nfs/dbraw/zinc/35/16/88/963351688.db2.gz OWLZIGHJYWUYIY-UHFFFAOYSA-N -1 3 262.382 3.146 20 0 CGADHM CC(C)(C)CSCc1cccc(-c2nn[n-]n2)c1 ZINC001589130862 963351698 /nfs/dbraw/zinc/35/16/98/963351698.db2.gz OWLZIGHJYWUYIY-UHFFFAOYSA-N -1 3 262.382 3.146 20 0 CGADHM C[C@@H](NCCC1CCCC1)c1ncc(C(=O)[O-])s1 ZINC000315360516 963888887 /nfs/dbraw/zinc/88/88/87/963888887.db2.gz QRZKWKSAEMZJTB-SECBINFHSA-N -1 3 268.382 3.072 20 0 CGADHM C[C@H](NCCC1CCCC1)c1ncc(C(=O)[O-])s1 ZINC000315360525 963889221 /nfs/dbraw/zinc/88/92/21/963889221.db2.gz QRZKWKSAEMZJTB-VIFPVBQESA-N -1 3 268.382 3.072 20 0 CGADHM CC(C)(CNc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC001589293094 963977425 /nfs/dbraw/zinc/97/74/25/963977425.db2.gz PSIJPKOELPOMFE-UHFFFAOYSA-N -1 3 293.374 3.256 20 0 CGADHM CC(C)(CCOc1ccc(-c2nnn[n-]2)cc1F)C1CC1 ZINC001589275839 963980505 /nfs/dbraw/zinc/98/05/05/963980505.db2.gz LNTANKWAYZIDRU-UHFFFAOYSA-N -1 3 290.342 3.211 20 0 CGADHM CC(C)(CCOc1ccc(-c2nn[n-]n2)cc1F)C1CC1 ZINC001589275839 963980512 /nfs/dbraw/zinc/98/05/12/963980512.db2.gz LNTANKWAYZIDRU-UHFFFAOYSA-N -1 3 290.342 3.211 20 0 CGADHM C[C@H](C(=O)[O-])N(Cc1cc2cc(F)ccc2o1)C1CCC1 ZINC001589486498 963994274 /nfs/dbraw/zinc/99/42/74/963994274.db2.gz FZVZEHIILJUJNY-SNVBAGLBSA-N -1 3 291.322 3.400 20 0 CGADHM Cc1ccc2c(c1)CN(Cc1cccc(C(=O)[O-])c1)CC2 ZINC001605314501 973140009 /nfs/dbraw/zinc/14/00/09/973140009.db2.gz RLPXWRCRDBLTRY-UHFFFAOYSA-N -1 3 281.355 3.252 20 0 CGADHM CC[C@@](C)(NCc1occc1C(=O)[O-])c1ccccc1 ZINC001594853286 982109908 /nfs/dbraw/zinc/10/99/08/982109908.db2.gz OWWICQPVWIZDAW-MRXNPFEDSA-N -1 3 273.332 3.393 20 0 CGADHM CC[C@H](C)[C@H](CN[C@@H](C(=O)[O-])c1ccccc1Cl)OC ZINC001594883510 982253629 /nfs/dbraw/zinc/25/36/29/982253629.db2.gz RLELIZXPSGQMJU-LEWSCRJBSA-N -1 3 299.798 3.116 20 0 CGADHM CC[C@H](C)[C@H](CNCc1cc(C(=O)[O-])ccc1Cl)OC ZINC001594884651 982264410 /nfs/dbraw/zinc/26/44/10/982264410.db2.gz YDHFBGPLKBWJRM-HZMBPMFUSA-N -1 3 299.798 3.189 20 0 CGADHM CCN(Cc1nc2cc(C(=O)[O-])ccc2[nH]1)CC(C)(C)C ZINC001596377826 983889401 /nfs/dbraw/zinc/88/94/01/983889401.db2.gz IPTZMUJFYZDPIS-UHFFFAOYSA-N -1 3 289.379 3.129 20 0 CGADHM CCN(Cc1ccoc1)Cc1c2ccccc2[nH]c1C(=O)[O-] ZINC001596378462 983895307 /nfs/dbraw/zinc/89/53/07/983895307.db2.gz OXYVBLWAPWJEAW-UHFFFAOYSA-N -1 3 298.342 3.481 20 0 CGADHM CCOc1c(Cl)cccc1CN1CC[C@H](C(=O)[O-])[C@H]1C ZINC001596993180 986282196 /nfs/dbraw/zinc/28/21/96/986282196.db2.gz YNPVFHHMDZZPPJ-PWSUYJOCSA-N -1 3 297.782 3.034 20 0 CGADHM CC[C@H](NCc1ccc(C(=O)[O-])n1C)c1ccc(F)cc1 ZINC001597349743 987488051 /nfs/dbraw/zinc/48/80/51/987488051.db2.gz VXHUKYUQNQXMMH-AWEZNQCLSA-N -1 3 290.338 3.103 20 0 CGADHM CCc1[nH]c(CN2CC[C@H]3CCCC[C@H]3C2)cc1C(=O)[O-] ZINC001597385671 987596916 /nfs/dbraw/zinc/59/69/16/987596916.db2.gz WMWQYKCYBYEYKT-OLZOCXBDSA-N -1 3 290.407 3.287 20 0 CGADHM CCc1cccc(CNCc2ccsc2C(=O)[O-])c1 ZINC001597586180 988400664 /nfs/dbraw/zinc/40/06/64/988400664.db2.gz ACECVCQNCJZZMO-UHFFFAOYSA-N -1 3 275.373 3.299 20 0 CGADHM CC(C)(NCCC1CCCCC1)c1cc(C(=O)[O-])on1 ZINC001590871190 990775772 /nfs/dbraw/zinc/77/57/72/990775772.db2.gz ZVUAYGQPSKJXNL-UHFFFAOYSA-N -1 3 280.368 3.168 20 0 CGADHM CC(C)C[C@H](C(=O)[O-])N1CCc2c(Cl)cc(F)cc2C1 ZINC001591123411 991809291 /nfs/dbraw/zinc/80/92/91/991809291.db2.gz ZWYQJJYVMBKUDP-CQSZACIVSA-N -1 3 299.773 3.337 20 0 CGADHM C[C@H](NCCCOc1ccccc1)c1cc(C(=O)[O-])co1 ZINC001593266738 994582441 /nfs/dbraw/zinc/58/24/41/994582441.db2.gz GPCINMJBICKSGY-LBPRGKRZSA-N -1 3 289.331 3.098 20 0 CGADHM C[C@H](NCc1c(Cl)cccc1Cl)[C@H]1C[C@H]1C(=O)[O-] ZINC001593286324 994643671 /nfs/dbraw/zinc/64/36/71/994643671.db2.gz QKPPLKGGDHSLTF-DJLDLDEBSA-N -1 3 288.174 3.192 20 0 CGADHM C[C@@H](c1cccc2ccccc21)N1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001593703380 996179832 /nfs/dbraw/zinc/17/98/32/996179832.db2.gz OERYQNVVVMZFAO-DCGLDWPTSA-N -1 3 299.370 3.075 20 0 CGADHM C[C@@H](c1ncc(C(=O)[O-])s1)N1CC[C@@H](C2CCC2)C1 ZINC001593732109 996308401 /nfs/dbraw/zinc/30/84/01/996308401.db2.gz OCKRWBNWQLXEDR-GXSJLCMTSA-N -1 3 280.393 3.024 20 0 CGADHM CO[C@]1(C)CCCN(Cc2c(Cl)cccc2C(=O)[O-])C1 ZINC001599087905 997133470 /nfs/dbraw/zinc/13/34/70/997133470.db2.gz ONWPLIMHWFFNLP-OAHLLOKOSA-N -1 3 297.782 3.039 20 0 CGADHM CC1(C)C[C@H]1C(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000337434957 214080002 /nfs/dbraw/zinc/08/00/02/214080002.db2.gz IGTFZJKASXSUJA-QMMMGPOBSA-N -1 3 273.254 3.396 20 0 CGADHM Cc1cc(F)cc2c1CN(C(=O)c1cccc([O-])c1)CC2 ZINC000337507820 214127983 /nfs/dbraw/zinc/12/79/83/214127983.db2.gz JDQNMVWRZFYWAZ-UHFFFAOYSA-N -1 3 285.318 3.038 20 0 CGADHM CC(C)(C)c1ccc([O-])c(NC(=O)c2ccsn2)c1 ZINC000294961538 199271509 /nfs/dbraw/zinc/27/15/09/199271509.db2.gz CNMIMWGRFWWYJJ-UHFFFAOYSA-N -1 3 276.361 3.399 20 0 CGADHM COc1cccc(CCC(=O)Nc2ccccc2[O-])c1F ZINC000350698229 219048925 /nfs/dbraw/zinc/04/89/25/219048925.db2.gz AXLVBAZVAFBHKG-UHFFFAOYSA-N -1 3 289.306 3.111 20 0 CGADHM COCCC1(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])CC1 ZINC000337657217 214199767 /nfs/dbraw/zinc/19/97/67/214199767.db2.gz OBUYQXZQEZIXOH-UHFFFAOYSA-N -1 3 291.391 3.445 20 0 CGADHM CCOCCC(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000337654299 214199901 /nfs/dbraw/zinc/19/99/01/214199901.db2.gz MFWUUIRRVHNNCE-UHFFFAOYSA-N -1 3 265.353 3.055 20 0 CGADHM CCCCSCCC(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000590559103 346851008 /nfs/dbraw/zinc/85/10/08/346851008.db2.gz ZUGXHCMYZOHVDV-UHFFFAOYSA-N -1 3 293.392 3.130 20 0 CGADHM CCC[C@H]1CCCC[C@H]1NC(=O)c1ccc2n[n-]nc2c1 ZINC000590591588 346852949 /nfs/dbraw/zinc/85/29/49/346852949.db2.gz IRWHFLIHLFVAIG-WCQYABFASA-N -1 3 286.379 3.047 20 0 CGADHM CC(C)CCC1CCN(C(=O)c2cc(F)c[n-]c2=O)CC1 ZINC000621913351 349607180 /nfs/dbraw/zinc/60/71/80/349607180.db2.gz KWUXNBBWJZDADA-UHFFFAOYSA-N -1 3 294.370 3.215 20 0 CGADHM CC1=C[C@@H](C)CN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000621989470 349618721 /nfs/dbraw/zinc/61/87/21/349618721.db2.gz JMPQTEOHOVSDBV-SECBINFHSA-N -1 3 299.292 3.449 20 0 CGADHM COc1ccc(NC(=O)[C@H]2CCc3ccccc3C2)c([O-])c1 ZINC000651854404 398297629 /nfs/dbraw/zinc/29/76/29/398297629.db2.gz AZDOXJQMUDNEAP-AWEZNQCLSA-N -1 3 297.354 3.144 20 0 CGADHM CC[C@@H](C)[C@@](C)(O)CNC(=O)c1ccc(C(C)C)cc1[O-] ZINC000436951663 529408270 /nfs/dbraw/zinc/40/82/70/529408270.db2.gz ZTEHMJQUINICGQ-PXAZEXFGSA-N -1 3 293.407 3.043 20 0 CGADHM CC[C@H](C)N(CC)C(=O)c1c[n-]c2c(C)cccc2c1=O ZINC000622133798 349633807 /nfs/dbraw/zinc/63/38/07/349633807.db2.gz JZILIRDSSNVSER-LBPRGKRZSA-N -1 3 286.375 3.097 20 0 CGADHM CC[C@@H](C)[C@H](C)N(C(=O)c1cc(OC)ccc1[O-])C1CC1 ZINC000436716686 529411264 /nfs/dbraw/zinc/41/12/64/529411264.db2.gz BQIYCGXPUWBAOH-NEPJUHHUSA-N -1 3 291.391 3.440 20 0 CGADHM CC(C)(F)CCNC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622164524 349641356 /nfs/dbraw/zinc/64/13/56/349641356.db2.gz QPSKHHKOLVHFNL-UHFFFAOYSA-N -1 3 293.260 3.279 20 0 CGADHM CC[C@@H](C)n1ncc(NC(=O)c2ccc(C)cc2[O-])c1C ZINC000436597170 529443545 /nfs/dbraw/zinc/44/35/45/529443545.db2.gz UCAQTILCWIHIQT-LLVKDONJSA-N -1 3 287.363 3.429 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)NCc1ccc(Cl)cc1 ZINC000622272324 349666251 /nfs/dbraw/zinc/66/62/51/349666251.db2.gz UOVPUFQFDIPTMQ-UHFFFAOYSA-N -1 3 293.725 3.044 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)Nc1ccc2c(c1)CCC2 ZINC000622277157 349666910 /nfs/dbraw/zinc/66/69/10/349666910.db2.gz RZCXILCTZXBWBX-UHFFFAOYSA-N -1 3 285.318 3.201 20 0 CGADHM CC(C(=O)NCc1ccc([O-])c(F)c1)=C1CCCC1 ZINC000125810186 187200541 /nfs/dbraw/zinc/20/05/41/187200541.db2.gz SCAQLIDVWLVTAH-UHFFFAOYSA-N -1 3 263.312 3.038 20 0 CGADHM CCc1cccc(C(=O)N[C@H](C2CC2)C2CCC2)c1[O-] ZINC000622681066 349693955 /nfs/dbraw/zinc/69/39/55/349693955.db2.gz ATDIIZXWJCRYDX-HNNXBMFYSA-N -1 3 273.376 3.263 20 0 CGADHM CCc1cc(C(=O)NC23CCC(CC2)C3)ccc1[O-] ZINC000365891640 529516304 /nfs/dbraw/zinc/51/63/04/529516304.db2.gz SNXCEJCKLQADOL-UHFFFAOYSA-N -1 3 259.349 3.017 20 0 CGADHM CC[C@@]1(C)CCCN(C(=O)c2cc(C)ccc2[O-])C1 ZINC000174752829 529523426 /nfs/dbraw/zinc/52/34/26/529523426.db2.gz SZAXJAWZAFAMBO-INIZCTEOSA-N -1 3 261.365 3.353 20 0 CGADHM CC[C@H](NC(=O)c1c[n-]c2ccccc2c1=O)[C@@H]1CC1(C)C ZINC000416270906 529556604 /nfs/dbraw/zinc/55/66/04/529556604.db2.gz AJTMNZVNPQHWNK-KBPBESRZSA-N -1 3 298.386 3.083 20 0 CGADHM CCc1ccc(-c2nc(-c3ccc(C)nc3)no2)c([O-])c1 ZINC000436845964 529575272 /nfs/dbraw/zinc/57/52/72/529575272.db2.gz LEXWWFQKZVCWRW-UHFFFAOYSA-N -1 3 281.315 3.375 20 0 CGADHM COc1c(F)cc(F)cc1[N-]C(=O)c1cc(C(C)C)no1 ZINC000350865682 219067740 /nfs/dbraw/zinc/06/77/40/219067740.db2.gz PCCBCRJPCIHPMN-UHFFFAOYSA-N -1 3 296.273 3.337 20 0 CGADHM CCc1ccc(C(=O)Nc2cnn([C@@H](C)C3CC3)c2)c([O-])c1 ZINC000436837532 529611165 /nfs/dbraw/zinc/61/11/65/529611165.db2.gz JZXOQTOEEYTLNM-NSHDSACASA-N -1 3 299.374 3.374 20 0 CGADHM CCc1ccc(C(=O)N2CCC[C@@H]2C(C)C)c([O-])c1 ZINC000436825755 529595841 /nfs/dbraw/zinc/59/58/41/529595841.db2.gz IDKALKORBKIBTK-CQSZACIVSA-N -1 3 261.365 3.215 20 0 CGADHM CC[C@@H](NC(=O)c1ccc(C(C)=O)c([O-])c1)C(C)(C)C ZINC000412040456 529667963 /nfs/dbraw/zinc/66/79/63/529667963.db2.gz ZJTAVDWDGNECRX-CQSZACIVSA-N -1 3 277.364 3.149 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CC(C)(C)C[C@@H]2C)c1 ZINC000412779674 529690669 /nfs/dbraw/zinc/69/06/69/529690669.db2.gz KIJYWQCQNVCGMW-NSHDSACASA-N -1 3 261.365 3.215 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2cccc(OC)c2)c1 ZINC000623466384 349814917 /nfs/dbraw/zinc/81/49/17/349814917.db2.gz GRUSXZWROUHTPL-UHFFFAOYSA-N -1 3 271.316 3.216 20 0 CGADHM CCc1ccc([C@H](C)NC(=O)c2ccc([O-])c(OC)c2)cc1 ZINC000436624773 529721052 /nfs/dbraw/zinc/72/10/52/529721052.db2.gz ANZIVDRECMJDAN-LBPRGKRZSA-N -1 3 299.370 3.454 20 0 CGADHM [O-]c1ccc(F)c(CN2Cc3ccccc3C2)c1F ZINC000351478318 219101587 /nfs/dbraw/zinc/10/15/87/219101587.db2.gz XZBKOZWGZGOTRY-UHFFFAOYSA-N -1 3 261.271 3.186 20 0 CGADHM CN(CC(C)(C)C)C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436780331 529844283 /nfs/dbraw/zinc/84/42/83/529844283.db2.gz CKDTVZCPSVNEEW-UHFFFAOYSA-N -1 3 275.392 3.389 20 0 CGADHM Cc1ccc2c(c1)[C@@H](NC(=O)c1cc(C)ccc1[O-])CC2 ZINC000592665358 347005099 /nfs/dbraw/zinc/00/50/99/347005099.db2.gz WWUFRHGCANQCPB-INIZCTEOSA-N -1 3 281.355 3.426 20 0 CGADHM CSCC1(CC(=O)Nc2ccc(C)cc2[O-])CC1 ZINC000593386140 347069119 /nfs/dbraw/zinc/06/91/19/347069119.db2.gz PHCZQUXGPBAFCY-UHFFFAOYSA-N -1 3 265.378 3.172 20 0 CGADHM CN[C@@H](CC(C)(C)C)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000449166286 530042756 /nfs/dbraw/zinc/04/27/56/530042756.db2.gz CFNCVKZYVSZGQP-NSHDSACASA-N -1 3 284.787 3.008 20 0 CGADHM O=C([O-])[C@H]1CCCCN1Cc1cc2ccccc2s1 ZINC000003756158 344859495 /nfs/dbraw/zinc/85/94/95/344859495.db2.gz YSYQTQHCORUHDE-CYBMUJFWSA-N -1 3 275.373 3.340 20 0 CGADHM CCC[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000016093405 344885435 /nfs/dbraw/zinc/88/54/35/344885435.db2.gz KKZMFZNCZQGRQH-MRVPVSSYSA-N -1 3 296.219 3.460 20 0 CGADHM CCC[C@H](C)[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000016093412 344885491 /nfs/dbraw/zinc/88/54/91/344885491.db2.gz FZWOVBAYMNTZLO-QMMMGPOBSA-N -1 3 296.219 3.460 20 0 CGADHM CCC[C@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000016093398 344885614 /nfs/dbraw/zinc/88/56/14/344885614.db2.gz VJMQXJKOEVDKKD-QMMMGPOBSA-N -1 3 296.219 3.460 20 0 CGADHM Cc1[nH]c2ccccc2c1CC(=O)Nc1ccccc1[O-] ZINC000024661943 344900777 /nfs/dbraw/zinc/90/07/77/344900777.db2.gz LXYYOCXZVZXWPT-UHFFFAOYSA-N -1 3 280.327 3.363 20 0 CGADHM Cc1ccc(C(=O)Nc2nc(-c3ccc[nH]3)cs2)c([O-])c1 ZINC000029350844 344917073 /nfs/dbraw/zinc/91/70/73/344917073.db2.gz DIDNINXRWPVPJI-UHFFFAOYSA-N -1 3 299.355 3.405 20 0 CGADHM Cc1ccc([O-])c(C(=O)N(C)Cc2ccc(F)c(F)c2)c1 ZINC000044439562 345010016 /nfs/dbraw/zinc/01/00/16/345010016.db2.gz GMCZCCITYWROAD-UHFFFAOYSA-N -1 3 291.297 3.251 20 0 CGADHM Cc1c(C(=O)Nc2ccc(C)cc2[O-])oc2c1C(=O)CCC2 ZINC000044982456 345018254 /nfs/dbraw/zinc/01/82/54/345018254.db2.gz UOVYEJHUVLETBV-UHFFFAOYSA-N -1 3 299.326 3.373 20 0 CGADHM Cc1ccc(C(=O)Nc2cc(Cl)ccc2[O-])cn1 ZINC000067145457 345315750 /nfs/dbraw/zinc/31/57/50/345315750.db2.gz BQGVDDRDNHRMNV-UHFFFAOYSA-N -1 3 262.696 3.001 20 0 CGADHM Cc1cccc(OC[C@H](C)NC(=O)c2cc(C)ccc2[O-])c1 ZINC000065116417 345268234 /nfs/dbraw/zinc/26/82/34/345268234.db2.gz TYMWPBLWOBHAFG-AWEZNQCLSA-N -1 3 299.370 3.206 20 0 CGADHM CCn1nc(C(C)C)cc1C(=O)Nc1ccc(C)cc1[O-] ZINC000073897532 345454056 /nfs/dbraw/zinc/45/40/56/345454056.db2.gz CVHANWHMQJDJQC-UHFFFAOYSA-N -1 3 287.363 3.293 20 0 CGADHM CC[C@@H]1CCCN(Cc2ccc(F)cc2C(=O)[O-])C1 ZINC000071264789 345402739 /nfs/dbraw/zinc/40/27/39/345402739.db2.gz GKRCRGVXEWZFDC-LLVKDONJSA-N -1 3 265.328 3.146 20 0 CGADHM CCc1cccc(C(=O)N[C@H](C)c2nc(C)cs2)c1[O-] ZINC000081778045 345718126 /nfs/dbraw/zinc/71/81/26/345718126.db2.gz JVKLEXWWCCVXCA-SNVBAGLBSA-N -1 3 290.388 3.211 20 0 CGADHM CCc1cccc(C(=O)N(C)CCc2ccccc2)c1[O-] ZINC000081730725 345718144 /nfs/dbraw/zinc/71/81/44/345718144.db2.gz OZDPQNDIWHHGPJ-UHFFFAOYSA-N -1 3 283.371 3.269 20 0 CGADHM CN(CCCCCC(=O)[O-])Cc1ccccc1Cl ZINC000083679443 345727512 /nfs/dbraw/zinc/72/75/12/345727512.db2.gz MXDAEZKSSVLLSO-UHFFFAOYSA-N -1 3 269.772 3.417 20 0 CGADHM CCc1cccc(C(=O)N[C@@H](CC)c2ccncc2)c1[O-] ZINC000091735688 345821974 /nfs/dbraw/zinc/82/19/74/345821974.db2.gz ZWWAMGBXOHZBND-HNNXBMFYSA-N -1 3 284.359 3.231 20 0 CGADHM C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)c1c([O-])cccc1O ZINC000092124255 345831504 /nfs/dbraw/zinc/83/15/04/345831504.db2.gz VPPVIDVSSGWRBP-TZMCWYRMSA-N -1 3 297.354 3.116 20 0 CGADHM Cc1csc2[n-]c(-c3ccc4c(n3)CCCC4)nc(=O)c12 ZINC000092196688 345831513 /nfs/dbraw/zinc/83/15/13/345831513.db2.gz JWVDVSUBWQTZNR-UHFFFAOYSA-N -1 3 297.383 3.234 20 0 CGADHM CCc1cccc(C(=O)N2CCC[C@H]2c2ccncc2)c1[O-] ZINC000093913220 345893048 /nfs/dbraw/zinc/89/30/48/345893048.db2.gz PNJPPNMGTZMIDB-INIZCTEOSA-N -1 3 296.370 3.327 20 0 CGADHM COc1ccc(C(=O)N2CCC[C@@H]2CC(C)(C)C)c([O-])c1 ZINC000094069459 345894866 /nfs/dbraw/zinc/89/48/66/345894866.db2.gz YQIGSJBPCQUZST-GFCCVEGCSA-N -1 3 291.391 3.442 20 0 CGADHM CN(CCc1cccs1)Cc1ccc(C(=O)[O-])cc1F ZINC000093290153 345874750 /nfs/dbraw/zinc/87/47/50/345874750.db2.gz CRJUZUXNTXYCEE-UHFFFAOYSA-N -1 3 293.363 3.260 20 0 CGADHM CCc1ccc([O-])c(C(=O)N[C@@H](C)c2c(C)noc2C)c1 ZINC000113989731 345963395 /nfs/dbraw/zinc/96/33/95/345963395.db2.gz HXNIRQVOAFEWMA-VIFPVBQESA-N -1 3 288.347 3.050 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)[C@@H](C)OCC2CC2)c1[O-] ZINC000116979928 345980998 /nfs/dbraw/zinc/98/09/98/345980998.db2.gz JQUSFEUYBXXZQB-SECBINFHSA-N -1 3 283.755 3.108 20 0 CGADHM COc1ccc([O-])c(C(=O)N2C[C@@H](C)c3ccccc32)c1 ZINC000130031134 346053846 /nfs/dbraw/zinc/05/38/46/346053846.db2.gz WPMHEZMIGXPJBY-LLVKDONJSA-N -1 3 283.327 3.165 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)[C@H]2C[C@@H]2C2CC2)c1[O-] ZINC000176160301 232332108 /nfs/dbraw/zinc/33/21/08/232332108.db2.gz QMELQEXOMXEDJA-MNOVXSKESA-N -1 3 265.740 3.339 20 0 CGADHM O=C(CC1CCCCCC1)Nc1nnc(C(F)(F)F)[n-]1 ZINC000175759325 232324810 /nfs/dbraw/zinc/32/48/10/232324810.db2.gz YUZGZOODAPVEKO-UHFFFAOYSA-N -1 3 290.289 3.123 20 0 CGADHM O=C(CC1CCCCCC1)Nc1nc(C(F)(F)F)n[n-]1 ZINC000175759325 232324812 /nfs/dbraw/zinc/32/48/12/232324812.db2.gz YUZGZOODAPVEKO-UHFFFAOYSA-N -1 3 290.289 3.123 20 0 CGADHM C[C@@H]1CCC[C@@H](C)N(C(=O)c2c[n-]c3ccccc3c2=O)C1 ZINC000176612079 346250062 /nfs/dbraw/zinc/25/00/62/346250062.db2.gz ZHEYMGTXSVOTJQ-CHWSQXEVSA-N -1 3 298.386 3.179 20 0 CGADHM CC1CCN([C@@H](C(=O)[O-])c2c(F)cccc2Cl)CC1 ZINC000212261887 346286939 /nfs/dbraw/zinc/28/69/39/346286939.db2.gz IFCBCPGMPVZQBU-CYBMUJFWSA-N -1 3 285.746 3.337 20 0 CGADHM CSCC1(CC(=O)Nc2cc(F)ccc2[O-])CC1 ZINC000593556673 347091305 /nfs/dbraw/zinc/09/13/05/347091305.db2.gz LNPQZDFVMWTQRP-UHFFFAOYSA-N -1 3 269.341 3.003 20 0 CGADHM C[C@H]1CCCN(Cc2ccc(C(=O)[O-])c(F)c2)[C@H]1C ZINC000300119826 346436037 /nfs/dbraw/zinc/43/60/37/346436037.db2.gz IFLGQILJWIPJKJ-QWRGUYRKSA-N -1 3 265.328 3.144 20 0 CGADHM O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1cccc(Cl)c1F ZINC000300126722 346436080 /nfs/dbraw/zinc/43/60/80/346436080.db2.gz AFCNTFCDUXTJLW-PXWWUCIGSA-N -1 3 297.757 3.164 20 0 CGADHM CCCC[C@H](C(=O)[O-])N(C)Cc1sccc1C ZINC000383634870 346562735 /nfs/dbraw/zinc/56/27/35/346562735.db2.gz CSVCJSSMOUUUGR-LLVKDONJSA-N -1 3 255.383 3.132 20 0 CGADHM CC(C)[C@@]1(C)C[C@@H]1c1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000584695663 346708223 /nfs/dbraw/zinc/70/82/23/346708223.db2.gz WYPRJUMRWUVYMX-MEBBXXQBSA-N -1 3 283.335 3.158 20 0 CGADHM CC[C@H]1CN([C@H](C(=O)[O-])c2cccc(Cl)c2)CCS1 ZINC000584725619 346710198 /nfs/dbraw/zinc/71/01/98/346710198.db2.gz RYUKGWKCXJFNFK-STQMWFEESA-N -1 3 299.823 3.293 20 0 CGADHM Cc1ccc(NC(=O)c2cccc3c2ccn3C)c([O-])c1 ZINC000588923349 346775799 /nfs/dbraw/zinc/77/57/99/346775799.db2.gz ABQUORYAYGGLCH-UHFFFAOYSA-N -1 3 280.327 3.445 20 0 CGADHM CC[C@@H](C(=O)Nc1ccccc1[O-])N(C)Cc1ccccc1 ZINC000339263266 215048863 /nfs/dbraw/zinc/04/88/63/215048863.db2.gz GDYFXDLVPBJEHF-INIZCTEOSA-N -1 3 298.386 3.241 20 0 CGADHM CS[C@@H]1CCCCN(Cc2c(F)ccc([O-])c2F)C1 ZINC000351813718 219214768 /nfs/dbraw/zinc/21/47/68/219214768.db2.gz ROHBOLCPEZHBQQ-SNVBAGLBSA-N -1 3 287.375 3.388 20 0 CGADHM CCS[C@H]1CC[C@@H](N(C)C(=O)c2c(C)cccc2[O-])C1 ZINC000599611856 347758056 /nfs/dbraw/zinc/75/80/56/347758056.db2.gz RNQLTJSKRBEVTI-OLZOCXBDSA-N -1 3 293.432 3.447 20 0 CGADHM CC[C@H](C)n1cc(-c2cc([O-])cc(C(=O)OC)c2)cn1 ZINC000600788521 347835653 /nfs/dbraw/zinc/83/56/53/347835653.db2.gz DCJUUVCNKSYSFI-JTQLQIEISA-N -1 3 274.320 3.013 20 0 CGADHM C[C@@]1(CNCc2cccc([O-])c2Cl)CCO[C@@H]1C1CC1 ZINC000339364395 215124735 /nfs/dbraw/zinc/12/47/35/215124735.db2.gz UNMBGZVJBABPBF-CVEARBPZSA-N -1 3 295.810 3.340 20 0 CGADHM C[C@H](C(=O)N=c1cc(-c2ccccc2)[n-][nH]1)c1cccs1 ZINC000606530728 348189854 /nfs/dbraw/zinc/18/98/54/348189854.db2.gz POEUQELMNRAUDX-NSHDSACASA-N -1 3 297.383 3.302 20 0 CGADHM C[C@H]1CCCC[C@@H]1CC(=O)NCc1ccc([O-])c(F)c1 ZINC000606537420 348189966 /nfs/dbraw/zinc/18/99/66/348189966.db2.gz REBQZGKANXYPRI-WCQYABFASA-N -1 3 279.355 3.364 20 0 CGADHM CC(C)C[C@@H]1CCN(C(=O)c2c[n-]c3ccccc3c2=O)C1 ZINC000608592852 348319770 /nfs/dbraw/zinc/31/97/70/348319770.db2.gz GDOUANGTABXVIB-ZDUSSCGKSA-N -1 3 298.386 3.036 20 0 CGADHM CC1(C)CC[C@H]1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000612754281 348543975 /nfs/dbraw/zinc/54/39/75/348543975.db2.gz GYRXXNOMPYJQII-VIFPVBQESA-N -1 3 253.729 3.420 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])C1CC2(CC2)C1 ZINC000612754509 348544022 /nfs/dbraw/zinc/54/40/22/348544022.db2.gz NUIZMTVIKGPQTE-UHFFFAOYSA-N -1 3 251.713 3.174 20 0 CGADHM O=C(NCc1ccc([O-])c(F)c1)[C@@H]1CCCC2(CC2)C1 ZINC000612631732 348536533 /nfs/dbraw/zinc/53/65/33/348536533.db2.gz HVFZNRWGKDVQDM-GFCCVEGCSA-N -1 3 277.339 3.118 20 0 CGADHM C[C@@H]1CC=C(C(=O)NCc2ccc([O-])c3ncccc23)CC1 ZINC000616020934 348781847 /nfs/dbraw/zinc/78/18/47/348781847.db2.gz SDRJFWXWCJCSBI-GFCCVEGCSA-N -1 3 296.370 3.303 20 0 CGADHM O=C(Nc1ccc([O-])cc1Cl)c1onc2c1CCCC2 ZINC000616939393 348885026 /nfs/dbraw/zinc/88/50/26/348885026.db2.gz BSJWSLPQJWEMLS-UHFFFAOYSA-N -1 3 292.722 3.165 20 0 CGADHM CC[C@H](C)[C@@H](OC)C(=O)Nc1ccc([O-])cc1Cl ZINC000616939449 348885147 /nfs/dbraw/zinc/88/51/47/348885147.db2.gz CYEWPYDBYBJLOM-QPUJVOFHSA-N -1 3 271.744 3.045 20 0 CGADHM CC[C@H]1C[C@H](C(=O)Nc2ccc([O-])cc2Cl)CCO1 ZINC000616941299 348885161 /nfs/dbraw/zinc/88/51/61/348885161.db2.gz ZDBDZODPIOECCA-KOLCDFICSA-N -1 3 283.755 3.189 20 0 CGADHM COCC1(C(=O)Nc2ccc([O-])cc2Cl)CCCC1 ZINC000616943174 348885509 /nfs/dbraw/zinc/88/55/09/348885509.db2.gz RCKJDJLRVQNIEK-UHFFFAOYSA-N -1 3 283.755 3.191 20 0 CGADHM O=C(Nc1ccc([O-])cc1Cl)c1noc2c1CCCC2 ZINC000616941784 348885524 /nfs/dbraw/zinc/88/55/24/348885524.db2.gz FOZDLOYYZKCRDX-UHFFFAOYSA-N -1 3 292.722 3.165 20 0 CGADHM O=C(Cc1cc(C2CC2)no1)Nc1ccc([O-])cc1Cl ZINC000616942901 348885575 /nfs/dbraw/zinc/88/55/75/348885575.db2.gz HZLSUNFOXROMMR-UHFFFAOYSA-N -1 3 292.722 3.092 20 0 CGADHM C[C@@H](CC(=O)Nc1ccc([O-])cc1Cl)[C@@H]1CCCO1 ZINC000616942990 348885876 /nfs/dbraw/zinc/88/58/76/348885876.db2.gz KILRNSUSIYBXAI-ZANVPECISA-N -1 3 283.755 3.189 20 0 CGADHM CCc1cccc(C(=O)NCC[C@@]2(C)CC2(F)F)c1[O-] ZINC000618633146 349131649 /nfs/dbraw/zinc/13/16/49/349131649.db2.gz HEIWNDZKGMGXDZ-AWEZNQCLSA-N -1 3 283.318 3.120 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2cnc(-c3ccncc3)s2)n1 ZINC000352034593 219296325 /nfs/dbraw/zinc/29/63/25/219296325.db2.gz DZFYDUBXROHKKM-IHWYPQMZSA-N -1 3 296.355 3.180 20 0 CGADHM COc1ccc(C=Cc2nc(C)cc(=O)[n-]2)c(Cl)c1 ZINC000352034726 219297294 /nfs/dbraw/zinc/29/72/94/219297294.db2.gz GTXUYAVOELKMJN-GQCTYLIASA-N -1 3 276.723 3.323 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2coc3ccccc23)n1 ZINC000352036437 219298287 /nfs/dbraw/zinc/29/82/87/219298287.db2.gz ZSVWKEMPJZXFJF-SREVYHEPSA-N -1 3 252.273 3.407 20 0 CGADHM COc1ccc(C(=O)N[C@H](C)C2CCC(F)CC2)c([O-])c1 ZINC000619962297 349298781 /nfs/dbraw/zinc/29/87/81/349298781.db2.gz MYOYWAJCINYYPN-VOMCLLRMSA-N -1 3 295.354 3.047 20 0 CGADHM Cc1ccc(C(=O)N(C)[C@H](C)c2ccccn2)c([O-])c1C ZINC000271223968 191013173 /nfs/dbraw/zinc/01/31/73/191013173.db2.gz GTMAKMSKJYXMQZ-CYBMUJFWSA-N -1 3 284.359 3.237 20 0 CGADHM CCC(CC)N(C(=O)c1c(C)cccc1[O-])C1CC1 ZINC000625081633 350125915 /nfs/dbraw/zinc/12/59/15/350125915.db2.gz BZVIWDIXNRICPF-UHFFFAOYSA-N -1 3 261.365 3.494 20 0 CGADHM Cc1cccc(CN(C)Cc2cc([O-])ccc2Cl)n1 ZINC000625257268 350147780 /nfs/dbraw/zinc/14/77/80/350147780.db2.gz YUEDLBAFOOOABV-UHFFFAOYSA-N -1 3 276.767 3.381 20 0 CGADHM [O-]c1ccc(Cl)c(CN2CCC[C@H](n3ccnc3)C2)c1 ZINC000625139422 350132787 /nfs/dbraw/zinc/13/27/87/350132787.db2.gz DDFXCSUFDTUCIP-ZDUSSCGKSA-N -1 3 291.782 3.079 20 0 CGADHM CCOC[C@H]1CCCN(Cc2cc([O-])ccc2Cl)C1 ZINC000625172486 350136784 /nfs/dbraw/zinc/13/67/84/350136784.db2.gz PQZOGUWDKVDRSP-LBPRGKRZSA-N -1 3 283.799 3.294 20 0 CGADHM Cc1ccsc1[C@@H](CO)NCc1cc([O-])ccc1Cl ZINC000625337035 350160984 /nfs/dbraw/zinc/16/09/84/350160984.db2.gz XUXCBHCVNGONOH-CYBMUJFWSA-N -1 3 297.807 3.239 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CCc2ccccc2[C@H]1C ZINC000625341594 350161444 /nfs/dbraw/zinc/16/14/44/350161444.db2.gz ZOUBPYLBSXWLAG-CYBMUJFWSA-N -1 3 281.355 3.460 20 0 CGADHM [O-]c1ccc(Cl)c(CN2CCC[C@@H]2c2cc[nH]n2)c1 ZINC000625377562 350165994 /nfs/dbraw/zinc/16/59/94/350165994.db2.gz MEKOFUSGJRATJP-CQSZACIVSA-N -1 3 277.755 3.106 20 0 CGADHM [O-]c1ccc(Cl)c(CN2CCO[C@@H](C3CCC3)C2)c1 ZINC000625469573 350177017 /nfs/dbraw/zinc/17/70/17/350177017.db2.gz VFWXBMYPNLDTNY-OAHLLOKOSA-N -1 3 281.783 3.047 20 0 CGADHM C/C=C\C[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000625561883 350184202 /nfs/dbraw/zinc/18/42/02/350184202.db2.gz UQPQUFLVPYXVRN-ARJAWSKDSA-N -1 3 294.203 3.156 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1C2CCCC1CCC2 ZINC000625845034 350219998 /nfs/dbraw/zinc/21/99/98/350219998.db2.gz SHWBCOVYTPZKGP-UHFFFAOYSA-N -1 3 259.349 3.248 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CC[C@H](Cc2ccccc2)C1 ZINC000625785401 350213249 /nfs/dbraw/zinc/21/32/49/350213249.db2.gz NAVYPTQTOUXPON-MRXNPFEDSA-N -1 3 295.382 3.405 20 0 CGADHM Cc1cccc([O-])c1C(=O)NC[C@H](c1cccnc1)C(C)C ZINC000626027587 350250839 /nfs/dbraw/zinc/25/08/39/350250839.db2.gz CYBPRDYUWHMHMA-HNNXBMFYSA-N -1 3 298.386 3.265 20 0 CGADHM Cc1cccc([O-])c1C(=O)N[C@H](C)CCc1ccc(O)cc1 ZINC000626190012 350280752 /nfs/dbraw/zinc/28/07/52/350280752.db2.gz KYQDXFFTJOJREA-CYBMUJFWSA-N -1 3 299.370 3.157 20 0 CGADHM CCO[C@H](C(=O)N1CC[C@@H](C)c2cccc([O-])c21)C1CC1 ZINC000626482000 350311650 /nfs/dbraw/zinc/31/16/50/350311650.db2.gz BNAOCZNGDYYHLA-BZNIZROVSA-N -1 3 289.375 3.048 20 0 CGADHM CCn1cc(C(=O)N2CC[C@H](C)c3cccc([O-])c32)c(C)n1 ZINC000626482442 350312461 /nfs/dbraw/zinc/31/24/61/350312461.db2.gz URCIVKOHLMWBNP-NSHDSACASA-N -1 3 299.374 3.071 20 0 CGADHM Cc1cccc([O-])c1C(=O)Nc1cnn([C@H](C)C2CC2)c1 ZINC000626519699 350316609 /nfs/dbraw/zinc/31/66/09/350316609.db2.gz WKRSNCLEAONOQO-LLVKDONJSA-N -1 3 285.347 3.120 20 0 CGADHM CC(C)=CCCNC(=O)c1cc([O-])cc(Br)c1 ZINC000626635191 350325557 /nfs/dbraw/zinc/32/55/57/350325557.db2.gz AHSAJKVWSLWZSR-UHFFFAOYSA-N -1 3 298.180 3.241 20 0 CGADHM Cc1cccc([O-])c1C(=O)N[C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000626309873 350294005 /nfs/dbraw/zinc/29/40/05/350294005.db2.gz ONXYRKOORJZLLH-TZMCWYRMSA-N -1 3 291.391 3.024 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CC2(CCC2)[C@@H]1C(C)C ZINC000627471030 350361752 /nfs/dbraw/zinc/36/17/52/350361752.db2.gz FALIIYSELQBDNR-HNNXBMFYSA-N -1 3 273.376 3.351 20 0 CGADHM Cc1cccc2c1CN(C(=O)c1c(C)cccc1[O-])CC2 ZINC000626663480 350330828 /nfs/dbraw/zinc/33/08/28/350330828.db2.gz AAFHPTKOEXFSCD-UHFFFAOYSA-N -1 3 281.355 3.208 20 0 CGADHM Cc1cccc([O-])c1C(=O)NC12CCC(CC1)CC2 ZINC000627640572 350372927 /nfs/dbraw/zinc/37/29/27/350372927.db2.gz YWNIDHXXEPUROI-UHFFFAOYSA-N -1 3 259.349 3.153 20 0 CGADHM CCc1ccc(C(=O)N2C[C@H](C)C(F)(F)[C@@H](C)C2)c([O-])c1 ZINC000628398491 350526558 /nfs/dbraw/zinc/52/65/58/350526558.db2.gz SCVZYUMYVXCASP-QWRGUYRKSA-N -1 3 297.345 3.318 20 0 CGADHM C[C@@H]1CN(Cc2cccc(C(=O)[O-])c2)C[C@H](C)C1(F)F ZINC000629365148 350679114 /nfs/dbraw/zinc/67/91/14/350679114.db2.gz UBLJFORMKPPAIG-PHIMTYICSA-N -1 3 283.318 3.108 20 0 CGADHM C[C@H](CN1CC[C@@H](C(=O)[O-])[C@@H](C)C1)c1cc(F)cc(F)c1 ZINC000629774276 350766772 /nfs/dbraw/zinc/76/67/72/350766772.db2.gz VSHWKXIMNZMOST-JRPNMDOOSA-N -1 3 297.345 3.111 20 0 CGADHM CCc1cc2c([n-]c([C@H]3CC[C@H](C)O3)nc2=O)s1 ZINC000630384734 350830372 /nfs/dbraw/zinc/83/03/72/350830372.db2.gz GQEIFMJFIHUJGT-OIBJUYFYSA-N -1 3 264.350 3.199 20 0 CGADHM Cc1sc2[n-]c([C@H]3CC[C@H](C)O3)nc(=O)c2c1C ZINC000630385782 350830967 /nfs/dbraw/zinc/83/09/67/350830967.db2.gz SJHOHPDWYADEGT-IMTBSYHQSA-N -1 3 264.350 3.254 20 0 CGADHM O=C([O-])C[C@H](CNCc1c(F)cccc1F)C1CCCC1 ZINC000630471371 350846047 /nfs/dbraw/zinc/84/60/47/350846047.db2.gz QTUBGGXATRMCSC-GFCCVEGCSA-N -1 3 297.345 3.336 20 0 CGADHM O=C([O-])[C@H]1CC[C@H](NCc2ccc(F)cc2Cl)CC1 ZINC000630477215 350846830 /nfs/dbraw/zinc/84/68/30/350846830.db2.gz VVFDPHDJZKGMPD-OTCDBFHCSA-N -1 3 285.746 3.212 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)Sc2nc(C(C)(C)C)c[nH]2)n1 ZINC000631030251 350930467 /nfs/dbraw/zinc/93/04/67/350930467.db2.gz NHYYSYJDXADCCO-VIFPVBQESA-N -1 3 292.408 3.365 20 0 CGADHM Cc1nc(-c2ccc(NCC(C)(C)F)nc2)[n-]c(=O)c1C ZINC000631407943 351036283 /nfs/dbraw/zinc/03/62/83/351036283.db2.gz MJYJZYZYRZGADF-UHFFFAOYSA-N -1 3 290.342 3.021 20 0 CGADHM CC1(C)CN(C(=O)c2cccc([O-])c2)[C@@H]1c1ccco1 ZINC000633789989 351374112 /nfs/dbraw/zinc/37/41/12/351374112.db2.gz SYPNLEQYTAPRJT-CQSZACIVSA-N -1 3 271.316 3.209 20 0 CGADHM CC(C)c1c(-c2ccccc2)[n-]n([C@@H]2CCSC2)c1=O ZINC000634628437 351551640 /nfs/dbraw/zinc/55/16/40/351551640.db2.gz XMKMZAGTBHBKKJ-ZIAGYGMSSA-N -1 3 288.416 3.011 20 0 CGADHM Cc1[n-]n(Cc2ccccc2Cl)c(=O)c1C1CC1 ZINC000634597317 351534954 /nfs/dbraw/zinc/53/49/54/351534954.db2.gz HFHJAIYMPJBQIN-ZDUSSCGKSA-N -1 3 262.740 3.084 20 0 CGADHM COC1(CS(=O)(=O)[N-]c2cccc(C(C)C)c2)CCC1 ZINC000634785515 351587606 /nfs/dbraw/zinc/58/76/06/351587606.db2.gz OIHKFLGXIZBOSP-UHFFFAOYSA-N -1 3 297.420 3.121 20 0 CGADHM O=C([O-])CCCCNCc1cc(C(F)(F)F)ccc1F ZINC000635315623 351649527 /nfs/dbraw/zinc/64/95/27/351649527.db2.gz PAKNYCURKUUEDD-UHFFFAOYSA-N -1 3 293.260 3.189 20 0 CGADHM C[C@]1(C2CCCCC2)CCN1C(=O)c1cc(F)c[n-]c1=O ZINC000636383084 351745953 /nfs/dbraw/zinc/74/59/53/351745953.db2.gz ICBQATBZHAKYNP-MRXNPFEDSA-N -1 3 292.354 3.111 20 0 CGADHM CCc1ccc(NC(=O)[N-]OCCC(F)(F)F)cc1 ZINC000122440131 187032230 /nfs/dbraw/zinc/03/22/30/187032230.db2.gz VBNDTMFRIFRGHO-UHFFFAOYSA-N -1 3 276.258 3.255 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)Nc1ccc(F)c(F)c1 ZINC000291924910 198106913 /nfs/dbraw/zinc/10/69/13/198106913.db2.gz SAROGYDZIGZNIS-MRVPVSSYSA-N -1 3 258.268 3.064 20 0 CGADHM CCc1cc(C(=O)NCCCc2ccc(O)cc2)ccc1[O-] ZINC000291950336 198115514 /nfs/dbraw/zinc/11/55/14/198115514.db2.gz ODPAHBFYACKKAQ-UHFFFAOYSA-N -1 3 299.370 3.023 20 0 CGADHM CC[C@H](C)CON=C([O-])Nc1ccc(F)cc1F ZINC000291941912 198112685 /nfs/dbraw/zinc/11/26/85/198112685.db2.gz UJCUSBQMJJNMRZ-QMMMGPOBSA-N -1 3 258.268 3.064 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)Nc1ccc(F)cc1F ZINC000291941912 198112687 /nfs/dbraw/zinc/11/26/87/198112687.db2.gz UJCUSBQMJJNMRZ-QMMMGPOBSA-N -1 3 258.268 3.064 20 0 CGADHM CC[C@H](C)CON=C([O-])Nc1cc(F)ccc1F ZINC000291988310 198126654 /nfs/dbraw/zinc/12/66/54/198126654.db2.gz ZRQDXUYIQMYZNV-QMMMGPOBSA-N -1 3 258.268 3.064 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)Nc1cc(F)ccc1F ZINC000291988310 198126655 /nfs/dbraw/zinc/12/66/55/198126655.db2.gz ZRQDXUYIQMYZNV-QMMMGPOBSA-N -1 3 258.268 3.064 20 0 CGADHM CCC(CC)N(CC)C(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000292150863 198182542 /nfs/dbraw/zinc/18/25/42/198182542.db2.gz MVWZNFPJNZPOLS-UHFFFAOYSA-N -1 3 295.379 3.060 20 0 CGADHM CCc1cc(C(=O)N(C)[C@H](C)C2(C)CC2)ccc1[O-] ZINC000292211807 198203028 /nfs/dbraw/zinc/20/30/28/198203028.db2.gz QAVYGDCHFOIPCV-LLVKDONJSA-N -1 3 261.365 3.215 20 0 CGADHM CC[C@H](CC(=O)[N-]OCc1cccnc1)c1ccccc1 ZINC000152697329 188036827 /nfs/dbraw/zinc/03/68/27/188036827.db2.gz AGQMHOANUHMKSE-OAHLLOKOSA-N -1 3 284.359 3.213 20 0 CGADHM Cc1nsc([N-]C(=O)c2sc(C)nc2CC(C)C)n1 ZINC000153668548 188095727 /nfs/dbraw/zinc/09/57/27/188095727.db2.gz KTOIFLXWHNMIER-UHFFFAOYSA-N -1 3 296.421 3.062 20 0 CGADHM CCOc1ccc(NC(=O)[N-]OCCC(F)(F)F)cc1 ZINC000156063758 188240865 /nfs/dbraw/zinc/24/08/65/188240865.db2.gz XKCZGHUCENLNHW-UHFFFAOYSA-N -1 3 292.257 3.091 20 0 CGADHM Cc1cscc1NC([O-])=NOCCC(F)(F)F ZINC000157653766 188331170 /nfs/dbraw/zinc/33/11/70/188331170.db2.gz FNESUMXWQOAVMO-UHFFFAOYSA-N -1 3 268.260 3.062 20 0 CGADHM Cc1cscc1NC(=O)[N-]OCCC(F)(F)F ZINC000157653766 188331172 /nfs/dbraw/zinc/33/11/72/188331172.db2.gz FNESUMXWQOAVMO-UHFFFAOYSA-N -1 3 268.260 3.062 20 0 CGADHM CC/C=C/C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000451770424 535245614 /nfs/dbraw/zinc/24/56/14/535245614.db2.gz FLUJSTOYBFKKNO-ONEGZZNKSA-N -1 3 294.203 3.238 20 0 CGADHM Cc1ccc(NC([O-])=NOC2CCCC2)c(F)c1 ZINC000271801367 191335826 /nfs/dbraw/zinc/33/58/26/191335826.db2.gz MGWUOSVCAPMGER-UHFFFAOYSA-N -1 3 252.289 3.130 20 0 CGADHM Cc1ccc(NC(=O)[N-]OC2CCCC2)c(F)c1 ZINC000271801367 191335829 /nfs/dbraw/zinc/33/58/29/191335829.db2.gz MGWUOSVCAPMGER-UHFFFAOYSA-N -1 3 252.289 3.130 20 0 CGADHM COc1ccsc1C(=O)[N-]c1nnc(CC(C)C)s1 ZINC000105940676 138353219 /nfs/dbraw/zinc/35/32/19/138353219.db2.gz FBAUEYKEOZTLJC-UHFFFAOYSA-N -1 3 297.405 3.059 20 0 CGADHM O=C(Nc1ccncc1[O-])[C@H]1C[C@H]1c1ccccc1Cl ZINC000109890627 138362231 /nfs/dbraw/zinc/36/22/31/138362231.db2.gz YWISDVVGCOFNPQ-QWRGUYRKSA-N -1 3 288.734 3.183 20 0 CGADHM Cc1n[nH]c(C)c1[C@H](C)CC(=O)Nc1ccc([O-])cc1F ZINC000124309317 138374523 /nfs/dbraw/zinc/37/45/23/138374523.db2.gz NXBCLWHMUGKHCL-MRVPVSSYSA-N -1 3 291.326 3.004 20 0 CGADHM CC(C)Cc1nc(C(=O)Nc2ccc([O-])cc2F)cs1 ZINC000124491467 138375624 /nfs/dbraw/zinc/37/56/24/138375624.db2.gz SUDOKIKXJFWXAL-UHFFFAOYSA-N -1 3 294.351 3.439 20 0 CGADHM C[C@@H]1CC[C@@H](CC(=O)Nc2ccc([O-])cc2F)C1 ZINC000124265611 138373978 /nfs/dbraw/zinc/37/39/78/138373978.db2.gz VSXSNLCAIRCYRZ-NXEZZACHSA-N -1 3 251.301 3.296 20 0 CGADHM O=C(Nc1ccsc1)c1c[n-]nc1-c1ccccc1 ZINC000125173053 138380372 /nfs/dbraw/zinc/38/03/72/138380372.db2.gz LNXHTCIAPWBTGY-UHFFFAOYSA-N -1 3 269.329 3.391 20 0 CGADHM CCN(CC)C(=O)CCc1ccc2ccccc2c1[O-] ZINC000294305861 198992208 /nfs/dbraw/zinc/99/22/08/198992208.db2.gz XOSRPNZVJFGWRZ-UHFFFAOYSA-N -1 3 271.360 3.346 20 0 CGADHM CC(C)N(C)C(=O)CCc1ccc2ccccc2c1[O-] ZINC000294445529 199042405 /nfs/dbraw/zinc/04/24/05/199042405.db2.gz RFQSAMWEGHMHTO-UHFFFAOYSA-N -1 3 271.360 3.345 20 0 CGADHM Cc1csc(C(=O)[N-]c2nc(C(C)(C)C)ns2)c1 ZINC000294474611 199053751 /nfs/dbraw/zinc/05/37/51/199053751.db2.gz FMTPRWZEUCRUBI-UHFFFAOYSA-N -1 3 281.406 3.458 20 0 CGADHM COc1ccc(CNCC2(CC(=O)[O-])CCC2)c(Cl)c1 ZINC000426670961 236306183 /nfs/dbraw/zinc/30/61/83/236306183.db2.gz UCMVLAQGWICCTB-UHFFFAOYSA-N -1 3 297.782 3.083 20 0 CGADHM O=C([O-])C[C@H](NCc1cccc(F)c1)c1ccsc1 ZINC000426678495 236306390 /nfs/dbraw/zinc/30/63/90/236306390.db2.gz QFDZBCDGRKWAHU-ZDUSSCGKSA-N -1 3 279.336 3.193 20 0 CGADHM O=C([O-])c1ccc(CNC/C=C/c2ccc(F)cc2)cc1 ZINC000426697223 236307109 /nfs/dbraw/zinc/30/71/09/236307109.db2.gz SRAMCWJMNBPUKG-OWOJBTEDSA-N -1 3 285.318 3.327 20 0 CGADHM O=C([O-])[C@@H](Cc1ccccc1)NCc1ccsc1Cl ZINC000426695710 236307255 /nfs/dbraw/zinc/30/72/55/236307255.db2.gz KTRVGKFKRPEJIS-GFCCVEGCSA-N -1 3 295.791 3.187 20 0 CGADHM Cc1cccc([C@@H](NCc2ccccc2F)C(=O)[O-])c1C ZINC000426729799 236308994 /nfs/dbraw/zinc/30/89/94/236308994.db2.gz GZCDUBLBDYHSGT-MRXNPFEDSA-N -1 3 287.334 3.358 20 0 CGADHM C[C@]1(C(=O)[O-])CCC[C@H]1NCc1ccsc1Cl ZINC000426742601 236310213 /nfs/dbraw/zinc/31/02/13/236310213.db2.gz KIBBYLYUXFEBFL-SKDRFNHKSA-N -1 3 273.785 3.135 20 0 CGADHM Cc1cccc(CN[C@H](C(=O)[O-])c2cccc(F)c2)c1C ZINC000426823275 236316891 /nfs/dbraw/zinc/31/68/91/236316891.db2.gz BVCOJCOZAHWNSS-INIZCTEOSA-N -1 3 287.334 3.358 20 0 CGADHM Cc1cccc(CN[C@@H](C(=O)[O-])c2cccc(F)c2)c1 ZINC000426827951 236317270 /nfs/dbraw/zinc/31/72/70/236317270.db2.gz JOXNSKYWINDSKP-OAHLLOKOSA-N -1 3 273.307 3.050 20 0 CGADHM C[C@@H](CC(=O)Nc1ncccc1[O-])c1c[nH]c2ccccc21 ZINC000427460611 236331691 /nfs/dbraw/zinc/33/16/91/236331691.db2.gz WPFBJNWMRKHINA-NSHDSACASA-N -1 3 295.342 3.401 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])[C@H]1CC12CCSCC2 ZINC000336220789 213047908 /nfs/dbraw/zinc/04/79/08/213047908.db2.gz JMIRKYZFCUNILL-SNVBAGLBSA-N -1 3 281.352 3.003 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])[C@@H]1CC12CCSCC2 ZINC000336220786 213047054 /nfs/dbraw/zinc/04/70/54/213047054.db2.gz JMIRKYZFCUNILL-JTQLQIEISA-N -1 3 281.352 3.003 20 0 CGADHM CCc1[nH]ccc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000336029253 212834243 /nfs/dbraw/zinc/83/42/43/212834243.db2.gz USGJKGFKAYWAIO-UHFFFAOYSA-N -1 3 264.712 3.188 20 0 CGADHM Cc1noc2ncc(NC(=O)c3ccc(C)c(C)c3[O-])cc12 ZINC000436532189 237124022 /nfs/dbraw/zinc/12/40/22/237124022.db2.gz FNGRRCVQTRWCMA-UHFFFAOYSA-N -1 3 297.314 3.106 20 0 CGADHM Cc1ccc(C(=O)N2CCc3ccc(F)cc32)c([O-])c1C ZINC000436536584 237124055 /nfs/dbraw/zinc/12/40/55/237124055.db2.gz DFULUCHPKGWAAO-UHFFFAOYSA-N -1 3 285.318 3.351 20 0 CGADHM Cc1ccc(C(=O)NC(C)(C)c2cccs2)c([O-])c1 ZINC000436545037 237130196 /nfs/dbraw/zinc/13/01/96/237130196.db2.gz FRKCZXUAXCRKQY-UHFFFAOYSA-N -1 3 275.373 3.427 20 0 CGADHM Cc1ccc(C(=O)N2C[C@H](C)CC[C@@H]2C)c([O-])c1C ZINC000436579517 237136861 /nfs/dbraw/zinc/13/68/61/237136861.db2.gz ZTKHFAGJOQXFJN-PWSUYJOCSA-N -1 3 261.365 3.270 20 0 CGADHM COCCC1(CNC(=O)c2ccc(C(C)C)cc2[O-])CC1 ZINC000436596841 237141019 /nfs/dbraw/zinc/14/10/19/237141019.db2.gz SBNAIVKMJNRPRW-UHFFFAOYSA-N -1 3 291.391 3.062 20 0 CGADHM COCCNC(=O)c1cc(C(C)C)cc(C(C)C)c1[O-] ZINC000436595876 237142703 /nfs/dbraw/zinc/14/27/03/237142703.db2.gz NMLVAJGJBAWPQX-UHFFFAOYSA-N -1 3 279.380 3.015 20 0 CGADHM Cc1ccsc1CCNC(=O)c1ccc(C)cc1[O-] ZINC000436792854 237181532 /nfs/dbraw/zinc/18/15/32/237181532.db2.gz OUWKETQNFYYKPK-UHFFFAOYSA-N -1 3 275.373 3.043 20 0 CGADHM CS[C@H](CNC(=O)c1ccc([O-])c(C)c1)C(C)(C)C ZINC000436824650 237188311 /nfs/dbraw/zinc/18/83/11/237188311.db2.gz AAEXSMHEJCJMHD-CYBMUJFWSA-N -1 3 281.421 3.208 20 0 CGADHM Cc1cccc(O[C@@H](C)CNC(=O)c2ccc([O-])c(C)c2)c1 ZINC000436945779 237218293 /nfs/dbraw/zinc/21/82/93/237218293.db2.gz VIIPRDHOVFJYIN-AWEZNQCLSA-N -1 3 299.370 3.206 20 0 CGADHM Cc1ccc(C(=O)N[C@@H](C)CNc2ccccc2)c([O-])c1C ZINC000436953853 237220467 /nfs/dbraw/zinc/22/04/67/237220467.db2.gz CEOYZLVJERRNHR-ZDUSSCGKSA-N -1 3 298.386 3.239 20 0 CGADHM Cc1cc(C(=O)Nc2c(C)cccc2[O-])nn1[C@@H](C)C1CC1 ZINC000436952690 237222502 /nfs/dbraw/zinc/22/25/02/237222502.db2.gz XUNAWDBXNVUDHA-LBPRGKRZSA-N -1 3 299.374 3.429 20 0 CGADHM O=C(NC1(C(F)F)CCCCC1)c1ccccc1[O-] ZINC000436853855 237196653 /nfs/dbraw/zinc/19/66/53/237196653.db2.gz FLUVBUVFKTXLGG-UHFFFAOYSA-N -1 3 269.291 3.090 20 0 CGADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CC[C@@H](C2CC2)C1 ZINC000436914483 237207228 /nfs/dbraw/zinc/20/72/28/237207228.db2.gz JOBNCBDIDQLNCD-OAHLLOKOSA-N -1 3 285.387 3.143 20 0 CGADHM Cc1ccc(C(=O)NCc2cccc(N(C)C)c2)c([O-])c1C ZINC000436903323 237208261 /nfs/dbraw/zinc/20/82/61/237208261.db2.gz SVUZFPXHKKOMGI-UHFFFAOYSA-N -1 3 298.386 3.005 20 0 CGADHM Cc1cc(C(=O)Nc2ccc(OC(C)C)nc2)ccc1[O-] ZINC000436923989 237214290 /nfs/dbraw/zinc/21/42/90/237214290.db2.gz FIHNCPSXORTHST-UHFFFAOYSA-N -1 3 286.331 3.135 20 0 CGADHM Cc1cc(Br)cc(NC(=O)[N-]OCC2CC2)c1 ZINC000296927428 200037649 /nfs/dbraw/zinc/03/76/49/200037649.db2.gz PZEANMSMFZZJGE-UHFFFAOYSA-N -1 3 299.168 3.221 20 0 CGADHM [O-]C(=NOC1CCCC1)Nc1cc(F)cc(F)c1F ZINC000296983510 200053983 /nfs/dbraw/zinc/05/39/83/200053983.db2.gz HEQALQSYYRUMCN-UHFFFAOYSA-N -1 3 274.242 3.100 20 0 CGADHM O=C([N-]OC1CCCC1)Nc1cc(F)cc(F)c1F ZINC000296983510 200053985 /nfs/dbraw/zinc/05/39/85/200053985.db2.gz HEQALQSYYRUMCN-UHFFFAOYSA-N -1 3 274.242 3.100 20 0 CGADHM CC[C@@H](C)Oc1cccc(NC(=O)[N-]c2cnns2)c1 ZINC000297613440 200241011 /nfs/dbraw/zinc/24/10/11/200241011.db2.gz APMKRURXMBRTMR-SECBINFHSA-N -1 3 292.364 3.359 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)Nc1ccc(C(F)(F)F)nc1 ZINC000297633575 200246960 /nfs/dbraw/zinc/24/69/60/200246960.db2.gz CPEGIKSPWLROPI-MRVPVSSYSA-N -1 3 291.273 3.200 20 0 CGADHM Cc1n[nH]c2cc(NC(=O)c3cccc(C)c3[O-])ccc12 ZINC000439052074 238226255 /nfs/dbraw/zinc/22/62/55/238226255.db2.gz DABHBIBGSOVEMS-UHFFFAOYSA-N -1 3 281.315 3.138 20 0 CGADHM Cc1[nH]nc2cc(NC(=O)c3cccc(C)c3[O-])ccc12 ZINC000439052074 238226259 /nfs/dbraw/zinc/22/62/59/238226259.db2.gz DABHBIBGSOVEMS-UHFFFAOYSA-N -1 3 281.315 3.138 20 0 CGADHM Cc1cscc1C(=O)N=c1cc(-c2ccccc2C)[n-][nH]1 ZINC000342174552 216249027 /nfs/dbraw/zinc/24/90/27/216249027.db2.gz HGTRFQPGPWENCW-UHFFFAOYSA-N -1 3 297.383 3.429 20 0 CGADHM O=C(NCc1ccc(C2CC2)cc1)c1cccc([O-])c1 ZINC000191316190 542259635 /nfs/dbraw/zinc/25/96/35/542259635.db2.gz CEDJEQKSSFUQQW-UHFFFAOYSA-N -1 3 267.328 3.200 20 0 CGADHM O=C(NCCCCOCc1ccccc1)c1cccc([O-])c1 ZINC000182259848 189318537 /nfs/dbraw/zinc/31/85/37/189318537.db2.gz YXXDSEOILRIQRV-UHFFFAOYSA-N -1 3 299.370 3.119 20 0 CGADHM CC[C@](C)(NC(=O)c1cccc([O-])c1)c1nc(C)cs1 ZINC000182502796 189326056 /nfs/dbraw/zinc/32/60/56/189326056.db2.gz PSAUDBGAPULIJE-HNNXBMFYSA-N -1 3 290.388 3.212 20 0 CGADHM CCO[N-]C(=O)Nc1ccc(OCC)cc1C(F)(F)F ZINC000182956959 189340361 /nfs/dbraw/zinc/34/03/61/189340361.db2.gz HQIVPKPEWIWIFM-UHFFFAOYSA-N -1 3 292.257 3.177 20 0 CGADHM Cc1cccc([O-])c1NC(=O)c1cc(C(C)C)on1 ZINC000183015303 189343075 /nfs/dbraw/zinc/34/30/75/189343075.db2.gz ADHMUORCFRQOOP-UHFFFAOYSA-N -1 3 260.293 3.064 20 0 CGADHM CC[C@@H](OC1CCCC1)C(=O)Nc1ccc([O-])cc1F ZINC000183240950 189351252 /nfs/dbraw/zinc/35/12/52/189351252.db2.gz FWDJOASPZBBWHE-CQSZACIVSA-N -1 3 281.327 3.208 20 0 CGADHM CC[C@@H]1CCCC[C@@H]1OCC(=O)Nc1cc(F)ccc1[O-] ZINC000184836675 189396799 /nfs/dbraw/zinc/39/67/99/189396799.db2.gz BLEYTYQJXPVHEF-ABAIWWIYSA-N -1 3 295.354 3.455 20 0 CGADHM CN(C(=O)c1csc(=O)[n-]1)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000335639704 212354686 /nfs/dbraw/zinc/35/46/86/212354686.db2.gz QMDLYUCNKYASBM-ONGXEEELSA-N -1 3 282.409 3.136 20 0 CGADHM CN(C(=O)Cc1ccc([O-])c(F)c1)[C@H]1CCC(C)(C)C1 ZINC000451363062 240281425 /nfs/dbraw/zinc/28/14/25/240281425.db2.gz RPHTXXNTCHWEPJ-LBPRGKRZSA-N -1 3 279.355 3.111 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)N(CC1CC1)CC1CCC1 ZINC000451578207 240329995 /nfs/dbraw/zinc/32/99/95/240329995.db2.gz GSDYIUGUCJTBIC-UHFFFAOYSA-N -1 3 291.366 3.113 20 0 CGADHM Cc1ccc(C(=O)Nc2ccccc2CCN(C)C)c([O-])c1 ZINC000275734203 193115875 /nfs/dbraw/zinc/11/58/75/193115875.db2.gz XRCAVQOTJVUSNH-UHFFFAOYSA-N -1 3 298.386 3.057 20 0 CGADHM CC[C@H]1CC[N@H+](Cc2cc(=O)[n-]c(-c3ccccc3)n2)C1 ZINC000459350623 242085414 /nfs/dbraw/zinc/08/54/14/242085414.db2.gz VSVIVHKWZOZZLD-ZDUSSCGKSA-N -1 3 283.375 3.081 20 0 CGADHM CC[C@H]1CCN(Cc2cc(=O)[n-]c(-c3ccccc3)n2)C1 ZINC000459350623 242085423 /nfs/dbraw/zinc/08/54/23/242085423.db2.gz VSVIVHKWZOZZLD-ZDUSSCGKSA-N -1 3 283.375 3.081 20 0 CGADHM CCOC[C@H]1CCCCN1Cc1c(F)ccc([O-])c1F ZINC000459668601 242172301 /nfs/dbraw/zinc/17/23/01/242172301.db2.gz CDOVESYYVHRHBA-LLVKDONJSA-N -1 3 285.334 3.061 20 0 CGADHM CCOC(=O)c1ccc(NC(=O)[C@H](C)CC(C)C)c([O-])c1 ZINC000462763872 242361567 /nfs/dbraw/zinc/36/15/67/242361567.db2.gz SAWRLIYFSBRPIU-LLVKDONJSA-N -1 3 293.363 3.190 20 0 CGADHM CC(C)COc1cccc(CN2CCC[C@H](C(=O)[O-])C2)c1 ZINC000003750098 368519002 /nfs/dbraw/zinc/51/90/02/368519002.db2.gz ANCNLRLZNWBTJN-HNNXBMFYSA-N -1 3 291.391 3.018 20 0 CGADHM O=C([O-])[C@H]1CCCCN1Cc1ccccc1C(F)(F)F ZINC000003754726 368520190 /nfs/dbraw/zinc/52/01/90/368520190.db2.gz KDCSUJCRWNZGEE-GFCCVEGCSA-N -1 3 287.281 3.145 20 0 CGADHM Cc1ccc(C(=O)N2CCC[C@H]2c2ccncc2)c([O-])c1 ZINC000121821843 370898791 /nfs/dbraw/zinc/89/87/91/370898791.db2.gz CCRGGZWXIOXIRS-HNNXBMFYSA-N -1 3 282.343 3.073 20 0 CGADHM Cc1ccc(NC(=O)CCOc2ccccc2F)c([O-])c1 ZINC000017410145 368733854 /nfs/dbraw/zinc/73/38/54/368733854.db2.gz QDALTXXZULCIIV-UHFFFAOYSA-N -1 3 289.306 3.247 20 0 CGADHM COc1ccc(C)cc1NC(=O)c1cc(C)ccc1[O-] ZINC000019838665 368770502 /nfs/dbraw/zinc/77/05/02/368770502.db2.gz BKPBBHAARPAGDB-UHFFFAOYSA-N -1 3 271.316 3.270 20 0 CGADHM Cc1cccc(C(=O)Nc2ccc(F)cc2F)c1[O-] ZINC000019839799 368771115 /nfs/dbraw/zinc/77/11/15/368771115.db2.gz SYTCYJKUGDRWDH-UHFFFAOYSA-N -1 3 263.243 3.231 20 0 CGADHM Cc1cccc(C(=O)NCc2ccc(Cl)cc2)c1[O-] ZINC000019231165 368745875 /nfs/dbraw/zinc/74/58/75/368745875.db2.gz NACSZSCQNAKCRH-UHFFFAOYSA-N -1 3 275.735 3.284 20 0 CGADHM Cc1ccc(NC(=O)c2cc(-c3ccco3)[n-]n2)cc1 ZINC000028266962 368883110 /nfs/dbraw/zinc/88/31/10/368883110.db2.gz LCMXJVGXQWTGLY-UHFFFAOYSA-N -1 3 267.288 3.230 20 0 CGADHM Cc1ccc(NC(=O)c2cc(-c3ccco3)n[n-]2)cc1 ZINC000028266962 368883117 /nfs/dbraw/zinc/88/31/17/368883117.db2.gz LCMXJVGXQWTGLY-UHFFFAOYSA-N -1 3 267.288 3.230 20 0 CGADHM Cc1ccc(C(=O)NCCc2c[nH]c3ccccc23)c([O-])c1 ZINC000028582859 368887621 /nfs/dbraw/zinc/88/76/21/368887621.db2.gz IIXQVHOWQHXBKW-UHFFFAOYSA-N -1 3 294.354 3.154 20 0 CGADHM CC(C)c1ccc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)cc1 ZINC000029388677 368895862 /nfs/dbraw/zinc/89/58/62/368895862.db2.gz HNSYIILTDRSJIW-UHFFFAOYSA-N -1 3 298.268 3.199 20 0 CGADHM CC(C)c1ccc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000029388677 368895865 /nfs/dbraw/zinc/89/58/65/368895865.db2.gz HNSYIILTDRSJIW-UHFFFAOYSA-N -1 3 298.268 3.199 20 0 CGADHM C[C@H](NCCC(=O)[O-])c1cc(F)c(Cl)cc1Cl ZINC000034981132 368984928 /nfs/dbraw/zinc/98/49/28/368984928.db2.gz RSGKPWCYRQDXMF-LURJTMIESA-N -1 3 280.126 3.258 20 0 CGADHM O=C(/C=C\c1cc(F)c(F)c(F)c1)[N-]OC1CCCC1 ZINC000492648951 244002758 /nfs/dbraw/zinc/00/27/58/244002758.db2.gz YTKYYQICKNHWNT-WAYWQWQTSA-N -1 3 285.265 3.108 20 0 CGADHM O=C([O-])[C@@H](NCc1cccs1)c1cccc(Cl)c1 ZINC000037966590 369127654 /nfs/dbraw/zinc/12/76/54/369127654.db2.gz IJGNAWSBNSVDEQ-LBPRGKRZSA-N -1 3 281.764 3.317 20 0 CGADHM Cc1cccc(/C=C\C(=O)Nc2ccc([O-])cc2F)c1 ZINC000492705323 244009125 /nfs/dbraw/zinc/00/91/25/244009125.db2.gz LMLZCUACZCFADU-YVMONPNESA-N -1 3 271.291 3.492 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)/C=C\c2cncs2)c1[O-] ZINC000493065992 244089124 /nfs/dbraw/zinc/08/91/24/244089124.db2.gz WUZPDBVIALOMRG-IHWYPQMZSA-N -1 3 294.763 3.462 20 0 CGADHM O=C(/C=C\c1ccc(F)c(F)c1)Nc1cccc([O-])c1F ZINC000493168170 244110667 /nfs/dbraw/zinc/11/06/67/244110667.db2.gz BQAKGWRMQKRERX-ALCCZGGFSA-N -1 3 293.244 3.461 20 0 CGADHM O=C(/C=C/C1CC1)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000493757492 244227131 /nfs/dbraw/zinc/22/71/31/244227131.db2.gz OLWRKBVIUADKOH-ZZXKWVIFSA-N -1 3 287.237 3.196 20 0 CGADHM O=C(c1ccccc1[O-])N1CCC[C@H]1C1CCCC1 ZINC000044352616 369259370 /nfs/dbraw/zinc/25/93/70/369259370.db2.gz JVSJDZAQAMITDC-AWEZNQCLSA-N -1 3 259.349 3.187 20 0 CGADHM Cc1ccoc1C(=O)[N-]c1nc(-c2ccccc2)ns1 ZINC000047692644 369325503 /nfs/dbraw/zinc/32/55/03/369325503.db2.gz XNCABCCJQIYCAJ-UHFFFAOYSA-N -1 3 285.328 3.359 20 0 CGADHM COc1ccc([O-])c(C(=O)N(C)[C@H](C)c2cccs2)c1 ZINC000049932341 369424139 /nfs/dbraw/zinc/42/41/39/369424139.db2.gz HOCONJVTEPBGJS-SNVBAGLBSA-N -1 3 291.372 3.296 20 0 CGADHM Cc1ccc(C(=O)N2CC[C@@H](c3ccccc3)C2)c([O-])c1 ZINC000050273060 369434852 /nfs/dbraw/zinc/43/48/52/369434852.db2.gz GGXUKEMWPTZOHC-OAHLLOKOSA-N -1 3 281.355 3.330 20 0 CGADHM Cc1ccc([O-])c(CN2CC[C@@H](C(F)(F)F)C2(C)C)n1 ZINC000276133930 193222452 /nfs/dbraw/zinc/22/24/52/193222452.db2.gz CYXVJORPBDVIMS-GFCCVEGCSA-N -1 3 288.313 3.258 20 0 CGADHM CC[C@H](C)Cc1c(C)sc2[n-]c(COC)nc(=O)c12 ZINC000053844993 369489766 /nfs/dbraw/zinc/48/97/66/369489766.db2.gz JGUPBKXTVDKDIN-QMMMGPOBSA-N -1 3 280.393 3.028 20 0 CGADHM CCc1ccc([O-])c(C(=O)NCc2cccc(F)c2)c1 ZINC000500773532 244586955 /nfs/dbraw/zinc/58/69/55/244586955.db2.gz PVNCVMDPLSWKDX-UHFFFAOYSA-N -1 3 273.307 3.024 20 0 CGADHM O=C(C[C@H]1C=CCC1)N1CCCc2cccc([O-])c21 ZINC000063063840 369638161 /nfs/dbraw/zinc/63/81/61/369638161.db2.gz CAANXSQSEXREGN-LBPRGKRZSA-N -1 3 257.333 3.028 20 0 CGADHM Cc1nc(C)c([C@H](C)N(C)Cc2nc(C)ccc2[O-])s1 ZINC000093274921 370114332 /nfs/dbraw/zinc/11/43/32/370114332.db2.gz OPAWBDFMPKEDCP-NSHDSACASA-N -1 3 291.420 3.362 20 0 CGADHM Cc1cccc(C(=O)N2CC[C@@H](Nc3ccccc3)C2)c1[O-] ZINC000102898594 370314471 /nfs/dbraw/zinc/31/44/71/370314471.db2.gz AMBGPZASSJNVIC-OAHLLOKOSA-N -1 3 296.370 3.027 20 0 CGADHM Cc1ccccc1C(=O)Nc1n[n-]c(-c2ccccc2F)n1 ZINC000109625065 370364500 /nfs/dbraw/zinc/36/45/00/370364500.db2.gz KULGKNZBTNAEIT-UHFFFAOYSA-N -1 3 296.305 3.172 20 0 CGADHM CC(C)(C)CCCC(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000103520066 370330965 /nfs/dbraw/zinc/33/09/65/370330965.db2.gz MZFGEAHOEPCFBR-UHFFFAOYSA-N -1 3 276.340 3.220 20 0 CGADHM CC(C)(C)CCCC(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000103520066 370330967 /nfs/dbraw/zinc/33/09/67/370330967.db2.gz MZFGEAHOEPCFBR-UHFFFAOYSA-N -1 3 276.340 3.220 20 0 CGADHM CC(C)(C)CCCC(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000103520066 370330970 /nfs/dbraw/zinc/33/09/70/370330970.db2.gz MZFGEAHOEPCFBR-UHFFFAOYSA-N -1 3 276.340 3.220 20 0 CGADHM Cc1ccccc1S(=O)(=O)[N-]c1cccc(F)c1F ZINC000112335411 370420459 /nfs/dbraw/zinc/42/04/59/370420459.db2.gz SMOPWTDZCBAVGK-UHFFFAOYSA-N -1 3 283.299 3.074 20 0 CGADHM Cc1ccccc1S(=O)(=O)[N-]c1c(C)cccc1C ZINC000112333718 370420655 /nfs/dbraw/zinc/42/06/55/370420655.db2.gz FWSAKILLLUQPAN-UHFFFAOYSA-N -1 3 275.373 3.413 20 0 CGADHM CC1(C(=O)Nc2cccc(-c3nnn[n-]3)c2)CCCCCC1 ZINC000511931104 245012670 /nfs/dbraw/zinc/01/26/70/245012670.db2.gz FMZNJNCNTAHYNA-UHFFFAOYSA-N -1 3 299.378 3.166 20 0 CGADHM CC1(C(=O)Nc2cccc(-c3nn[n-]n3)c2)CCCCCC1 ZINC000511931104 245012676 /nfs/dbraw/zinc/01/26/76/245012676.db2.gz FMZNJNCNTAHYNA-UHFFFAOYSA-N -1 3 299.378 3.166 20 0 CGADHM Cc1ccc([O-])c(CN[C@H](c2ccccc2)C2CC2)n1 ZINC000112716463 370445529 /nfs/dbraw/zinc/44/55/29/370445529.db2.gz RNOJPKRYKYQWDO-QGZVFWFLSA-N -1 3 268.360 3.337 20 0 CGADHM Cc1ccc(NC(=O)c2c(F)ccc(F)c2F)c([O-])c1 ZINC000119096978 370643928 /nfs/dbraw/zinc/64/39/28/370643928.db2.gz SBEATMALGZDMEL-UHFFFAOYSA-N -1 3 281.233 3.370 20 0 CGADHM CCc1cccc(C(=O)N2C[C@@H](C)CC2(C)C)c1[O-] ZINC000538776494 288588834 /nfs/dbraw/zinc/58/88/34/288588834.db2.gz HBQBPMNWOTXAKE-NSHDSACASA-N -1 3 261.365 3.215 20 0 CGADHM C[C@H](CCC[C@@H](C)C(=O)[O-])NCc1c(F)cccc1F ZINC000133767294 371277396 /nfs/dbraw/zinc/27/73/96/371277396.db2.gz KOMIKFJVJPVQOC-GHMZBOCLSA-N -1 3 285.334 3.334 20 0 CGADHM Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)c1cccc(C)c1[O-] ZINC000134042411 371298651 /nfs/dbraw/zinc/29/86/51/371298651.db2.gz FBCMXJGSOYTPGK-CQSZACIVSA-N -1 3 299.374 3.018 20 0 CGADHM CC(C)(C(=O)Nc1cc(Cl)ccc1[O-])C1CC1 ZINC000287048706 371594615 /nfs/dbraw/zinc/59/46/15/371594615.db2.gz INNABPPGASJIEQ-UHFFFAOYSA-N -1 3 253.729 3.420 20 0 CGADHM CC(C)(C)c1csc(C[S@@](=O)c2ccc([O-])cc2)n1 ZINC000151372196 371595872 /nfs/dbraw/zinc/59/58/72/371595872.db2.gz JOQWIUUNCYENFS-IBGZPJMESA-N -1 3 295.429 3.454 20 0 CGADHM C[C@H]1CC[C@@H](C(=O)[O-])CN1CCc1ccc(F)cc1Cl ZINC000422638443 371754570 /nfs/dbraw/zinc/75/45/70/371754570.db2.gz UECKBENQXHUJJB-CMPLNLGQSA-N -1 3 299.773 3.207 20 0 CGADHM CCc1nc(CC(=O)Nc2ccc(Cl)cc2[O-])cs1 ZINC000153601697 371777351 /nfs/dbraw/zinc/77/73/51/371777351.db2.gz YDRKRIKWVQSVDK-UHFFFAOYSA-N -1 3 296.779 3.246 20 0 CGADHM C[C@@H]1CCC[C@@H](CC(=O)Nc2nnc(-c3ccccn3)[n-]2)C1 ZINC000153945347 371803876 /nfs/dbraw/zinc/80/38/76/371803876.db2.gz NUIHFGQSNIEWRD-VXGBXAGGSA-N -1 3 299.378 3.022 20 0 CGADHM C[C@@H]1CCC[C@@H](CC(=O)Nc2nc(-c3ccccn3)n[n-]2)C1 ZINC000153945347 371803883 /nfs/dbraw/zinc/80/38/83/371803883.db2.gz NUIHFGQSNIEWRD-VXGBXAGGSA-N -1 3 299.378 3.022 20 0 CGADHM C[C@@H]1CCC[C@@H](CC(=O)Nc2n[n-]c(-c3ccccn3)n2)C1 ZINC000153945347 371803889 /nfs/dbraw/zinc/80/38/89/371803889.db2.gz NUIHFGQSNIEWRD-VXGBXAGGSA-N -1 3 299.378 3.022 20 0 CGADHM CC(C)CON=C([O-])Nc1ccccc1OC(C)C ZINC000158985063 372096785 /nfs/dbraw/zinc/09/67/85/372096785.db2.gz XTCOLLWYWTZOEB-UHFFFAOYSA-N -1 3 266.341 3.183 20 0 CGADHM CC(C)CO[N-]C(=O)Nc1ccccc1OC(C)C ZINC000158985063 372096790 /nfs/dbraw/zinc/09/67/90/372096790.db2.gz XTCOLLWYWTZOEB-UHFFFAOYSA-N -1 3 266.341 3.183 20 0 CGADHM Cc1ccc(NC(=O)C2CCC(F)(F)CC2)c([O-])c1 ZINC000160981005 372293226 /nfs/dbraw/zinc/29/32/26/372293226.db2.gz JUQQYNJGDKZKOF-UHFFFAOYSA-N -1 3 269.291 3.465 20 0 CGADHM CN(C(=O)Cc1ccc([O-])cc1Cl)C1(C)CCCC1 ZINC000428663972 372245809 /nfs/dbraw/zinc/24/58/09/372245809.db2.gz LDRFQHXGWULQDE-UHFFFAOYSA-N -1 3 281.783 3.379 20 0 CGADHM C[C@H]1C[C@H](CCNCc2cccc([O-])c2Cl)CCO1 ZINC000293189848 372322156 /nfs/dbraw/zinc/32/21/56/372322156.db2.gz HYWRYBKXJWVWEF-NWDGAFQWSA-N -1 3 283.799 3.340 20 0 CGADHM O=C(Cc1ccc([O-])cc1Cl)Nc1ccccc1F ZINC000161593750 372337831 /nfs/dbraw/zinc/33/78/31/372337831.db2.gz MXBDQWBERBAKPF-UHFFFAOYSA-N -1 3 279.698 3.366 20 0 CGADHM Cc1ccc([O-])c(CN(C)Cc2ccc(Cl)s2)n1 ZINC000162771248 372419215 /nfs/dbraw/zinc/41/92/15/372419215.db2.gz GUELDPJWNKSSNP-UHFFFAOYSA-N -1 3 282.796 3.443 20 0 CGADHM [O-]c1ccc(-c2noc(C[C@H]3CCCO3)n2)c2ccccc12 ZINC000293491864 372394446 /nfs/dbraw/zinc/39/44/46/372394446.db2.gz UXYLRBZJUGPBOM-LLVKDONJSA-N -1 3 296.326 3.317 20 0 CGADHM C[C@H](C(=O)Nc1cc(Cl)ccc1[O-])C(C)(F)F ZINC000293506824 372397711 /nfs/dbraw/zinc/39/77/11/372397711.db2.gz XTYDLIDSGKPCLR-ZCFIWIBFSA-N -1 3 263.671 3.275 20 0 CGADHM CCOC1(CNCc2c(F)ccc([O-])c2F)CCCC1 ZINC000293557864 372411869 /nfs/dbraw/zinc/41/18/69/372411869.db2.gz FQTPXFLOMLHWHN-UHFFFAOYSA-N -1 3 285.334 3.109 20 0 CGADHM Cc1cc(C(=O)N2CC(C)(C)[C@@H]2c2cccnc2)ccc1[O-] ZINC000293686615 372450763 /nfs/dbraw/zinc/45/07/63/372450763.db2.gz HNRLJXCZCZCZDG-INIZCTEOSA-N -1 3 296.370 3.319 20 0 CGADHM CCc1cc(=O)[n-]c(CN(C)[C@@H](C)c2ccccc2C)n1 ZINC000344370228 217172983 /nfs/dbraw/zinc/17/29/83/217172983.db2.gz QOTUDCXOCBJWHN-ZDUSSCGKSA-N -1 3 285.391 3.246 20 0 CGADHM CC(C)(C(=O)Nc1ccccc1[O-])c1ccc2c(c1)OCO2 ZINC000431386266 372466217 /nfs/dbraw/zinc/46/62/17/372466217.db2.gz FXPVJAQXSPNTQW-UHFFFAOYSA-N -1 3 299.326 3.037 20 0 CGADHM CC(C)COCCCNCc1cccc([O-])c1Cl ZINC000294135830 372592124 /nfs/dbraw/zinc/59/21/24/372592124.db2.gz OAYALNLYBBKPPR-UHFFFAOYSA-N -1 3 271.788 3.198 20 0 CGADHM CC(C)c1csc([N-]C(=O)c2cc(C3CC3)no2)n1 ZINC000333064818 205000231 /nfs/dbraw/zinc/00/02/31/205000231.db2.gz NQPMLPMZIMTCJO-UHFFFAOYSA-N -1 3 277.349 3.384 20 0 CGADHM CC(C)c1nc(C(=O)Nc2ccccc2[O-])cs1 ZINC000171086255 372709916 /nfs/dbraw/zinc/70/99/16/372709916.db2.gz KWALCHGCICNEAG-UHFFFAOYSA-N -1 3 262.334 3.224 20 0 CGADHM C[C@H]1CCN(C(=O)CSC2CC2)c2c([O-])cccc21 ZINC000295393131 372763155 /nfs/dbraw/zinc/76/31/55/372763155.db2.gz RCBUDNXXKALSNE-JTQLQIEISA-N -1 3 277.389 3.128 20 0 CGADHM O=C(Nc1ccccc1[O-])c1cnc(-c2ccccn2)s1 ZINC000171289953 372737161 /nfs/dbraw/zinc/73/71/61/372737161.db2.gz KLNWKYROCDONDU-UHFFFAOYSA-N -1 3 297.339 3.163 20 0 CGADHM [O-]c1cccc(CN2CCC(c3ncc[nH]3)CC2)c1Cl ZINC000295467067 372791922 /nfs/dbraw/zinc/79/19/22/372791922.db2.gz WHQDWKHQCSZMNV-UHFFFAOYSA-N -1 3 291.782 3.148 20 0 CGADHM CC(C)O[N-]C(=O)[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000295556934 372825367 /nfs/dbraw/zinc/82/53/67/372825367.db2.gz MKRYFBNIKLPGFI-JKSUJKDBSA-N -1 3 269.344 3.400 20 0 CGADHM [O-]C(=NOC1CCCC1)Nc1ccc([C@@H]2CCOC2)cc1 ZINC000296784309 373244217 /nfs/dbraw/zinc/24/42/17/373244217.db2.gz FHNMJUDNKDNKQU-CYBMUJFWSA-N -1 3 290.363 3.186 20 0 CGADHM O=C([N-]OC1CCCC1)Nc1ccc([C@@H]2CCOC2)cc1 ZINC000296784309 373244223 /nfs/dbraw/zinc/24/42/23/373244223.db2.gz FHNMJUDNKDNKQU-CYBMUJFWSA-N -1 3 290.363 3.186 20 0 CGADHM CSC1(CNC(=O)c2ccc(C(C)C)cc2[O-])CC1 ZINC000447607706 373465946 /nfs/dbraw/zinc/46/59/46/373465946.db2.gz ALSHTOADCKFWJU-UHFFFAOYSA-N -1 3 279.405 3.141 20 0 CGADHM O=C(N=c1cc(-c2ccccc2F)o[n-]1)c1ccccc1 ZINC000448490322 373579284 /nfs/dbraw/zinc/57/92/84/373579284.db2.gz NSQNASVHOQGNTC-UHFFFAOYSA-N -1 3 282.274 3.155 20 0 CGADHM CCO[N-]C(=O)CCCc1cc(Cl)sc1Cl ZINC000176293580 373579331 /nfs/dbraw/zinc/57/93/31/373579331.db2.gz CDJDEPQYWXTWNK-UHFFFAOYSA-N -1 3 282.192 3.445 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])[C@@H]1C[C@H]1C1CC1 ZINC000176042895 373551615 /nfs/dbraw/zinc/55/16/15/373551615.db2.gz YZJGASLJUMMCTP-VHSXEESVSA-N -1 3 251.713 3.030 20 0 CGADHM Cc1occc1C(=O)N=c1cc(C2(C)CCCC2)o[n-]1 ZINC000448409791 373578169 /nfs/dbraw/zinc/57/81/69/373578169.db2.gz BSRVBYHUUHUCOQ-UHFFFAOYSA-N -1 3 274.320 3.082 20 0 CGADHM O=C(c1cccc([O-])c1)N1CC=C(c2ccc(F)cc2)CC1 ZINC000178898022 373814296 /nfs/dbraw/zinc/81/42/96/373814296.db2.gz CPVXHCRYOOLZPP-UHFFFAOYSA-N -1 3 297.329 3.461 20 0 CGADHM CC(C)[C@@H]1C[C@@H](CNCc2c(F)ccc([O-])c2F)CCO1 ZINC000449495025 373789654 /nfs/dbraw/zinc/78/96/54/373789654.db2.gz NUGSYMPLJYRCSQ-NHYWBVRUSA-N -1 3 299.361 3.211 20 0 CGADHM Cc1cccc([O-])c1NC(=O)c1cc(F)c(F)c(F)c1 ZINC000179546767 373886451 /nfs/dbraw/zinc/88/64/51/373886451.db2.gz AGXZEVLADRLPEX-UHFFFAOYSA-N -1 3 281.233 3.370 20 0 CGADHM COC[C@H]1CCCN(Cc2cccc([O-])c2Cl)CC1 ZINC000449772513 373901747 /nfs/dbraw/zinc/90/17/47/373901747.db2.gz HFQZTXOVBOHZAG-LBPRGKRZSA-N -1 3 283.799 3.294 20 0 CGADHM CC(C)(C)C1CCN(C(=O)Cc2ccc([O-])c(F)c2)CC1 ZINC000449876846 373955294 /nfs/dbraw/zinc/95/52/94/373955294.db2.gz MWQLNPGZWDVHHD-UHFFFAOYSA-N -1 3 293.382 3.359 20 0 CGADHM COc1cccc(C(=O)NCCCCC(C)(C)C)c1[O-] ZINC000303255851 374014083 /nfs/dbraw/zinc/01/40/83/374014083.db2.gz ODOLWWOSKKWHJZ-UHFFFAOYSA-N -1 3 279.380 3.347 20 0 CGADHM C[C@@H](CC1CCCCC1)C(=O)Nc1ncccc1[O-] ZINC000303507593 374021002 /nfs/dbraw/zinc/02/10/02/374021002.db2.gz ATFHBATYZBXZDT-NSHDSACASA-N -1 3 262.353 3.332 20 0 CGADHM O=C(N[C@@H](Cc1ccccc1)C1CC1)c1ccccc1[O-] ZINC000303850972 374029717 /nfs/dbraw/zinc/02/97/17/374029717.db2.gz NMZNKLTUJLPBTQ-INIZCTEOSA-N -1 3 281.355 3.143 20 0 CGADHM C[C@H](CNC(=O)c1ccccc1[O-])Cc1cccs1 ZINC000303964041 374032884 /nfs/dbraw/zinc/03/28/84/374032884.db2.gz XPKZUOYJVIIVNC-NSHDSACASA-N -1 3 275.373 3.062 20 0 CGADHM O=C(Nc1ccc(OCC2CC2)cc1)c1c([O-])cccc1O ZINC000180853597 374052366 /nfs/dbraw/zinc/05/23/66/374052366.db2.gz XYMXXRVDNUGRCH-UHFFFAOYSA-N -1 3 299.326 3.139 20 0 CGADHM C[C@H](CC(=O)[O-])NCc1ccccc1OCc1ccccc1 ZINC000309788366 374197709 /nfs/dbraw/zinc/19/77/09/374197709.db2.gz HCEKTJZRBYUPKX-CQSZACIVSA-N -1 3 299.370 3.218 20 0 CGADHM C[C@H](CCC(=O)[O-])NCc1ccc(Cl)cc1Cl ZINC000309810922 374199617 /nfs/dbraw/zinc/19/96/17/374199617.db2.gz WJQNEBYNWWRVKE-MRVPVSSYSA-N -1 3 276.163 3.336 20 0 CGADHM C[C@@]1(F)CCCN(C(=O)c2ccc3c(c2[O-])CCCC3)C1 ZINC000452204044 374276796 /nfs/dbraw/zinc/27/67/96/374276796.db2.gz GLYQGOFAJDKBTC-QGZVFWFLSA-N -1 3 291.366 3.235 20 0 CGADHM O=C([N-][C@H](C1CC1)C(F)(F)F)C1(C(F)(F)F)CCC1 ZINC000452118221 374240484 /nfs/dbraw/zinc/24/04/84/374240484.db2.gz FMQPLBVGOWDWDH-SSDOTTSWSA-N -1 3 289.219 3.176 20 0 CGADHM C[C@@H]1CC(C(=O)Nc2nnc(-c3ccco3)[n-]2)C[C@@H](C)C1 ZINC000183081626 374369966 /nfs/dbraw/zinc/36/99/66/374369966.db2.gz RRKOAWZIYWBUQH-UWVGGRQHSA-N -1 3 288.351 3.076 20 0 CGADHM C[C@@H]1CC(C(=O)Nc2nc(-c3ccco3)n[n-]2)C[C@@H](C)C1 ZINC000183081626 374369972 /nfs/dbraw/zinc/36/99/72/374369972.db2.gz RRKOAWZIYWBUQH-UWVGGRQHSA-N -1 3 288.351 3.076 20 0 CGADHM C[C@@H]1CC(C(=O)Nc2n[n-]c(-c3ccco3)n2)C[C@@H](C)C1 ZINC000183081626 374369976 /nfs/dbraw/zinc/36/99/76/374369976.db2.gz RRKOAWZIYWBUQH-UWVGGRQHSA-N -1 3 288.351 3.076 20 0 CGADHM Cc1ccc(NC(=O)c2cccc3nn[n-]c32)c(Cl)c1 ZINC000183296787 374397105 /nfs/dbraw/zinc/39/71/05/374397105.db2.gz LDCVYRRGGDNFRU-UHFFFAOYSA-N -1 3 286.722 3.172 20 0 CGADHM Cc1ccc(NC(=O)c2cccc3[n-]nnc32)c(Cl)c1 ZINC000183296787 374397114 /nfs/dbraw/zinc/39/71/14/374397114.db2.gz LDCVYRRGGDNFRU-UHFFFAOYSA-N -1 3 286.722 3.172 20 0 CGADHM Cc1ccc(NC(=O)c2cccc3n[n-]nc32)c(Cl)c1 ZINC000183296787 374397126 /nfs/dbraw/zinc/39/71/26/374397126.db2.gz LDCVYRRGGDNFRU-UHFFFAOYSA-N -1 3 286.722 3.172 20 0 CGADHM C[C@@H](c1ccc(F)cc1F)N1CCC(C)(C(=O)[O-])CC1 ZINC000086776756 541940940 /nfs/dbraw/zinc/94/09/40/541940940.db2.gz BZMBVCKGJJEGRM-JTQLQIEISA-N -1 3 283.318 3.213 20 0 CGADHM O=[S@](Cc1ccc(OC(F)F)cc1)c1cccc([O-])c1 ZINC000184048494 374486148 /nfs/dbraw/zinc/48/61/48/374486148.db2.gz QMGVTEQXPAIFEB-HXUWFJFHSA-N -1 3 298.310 3.301 20 0 CGADHM O=[S@@](Cc1coc(-c2ccccc2)n1)c1cccc([O-])c1 ZINC000184065060 374487793 /nfs/dbraw/zinc/48/77/93/374487793.db2.gz GMRRHDPFMMRVMW-NRFANRHFSA-N -1 3 299.351 3.355 20 0 CGADHM Cc1cc(C[S@@](=O)c2cccc([O-])c2)c(C)s1 ZINC000184068038 374488273 /nfs/dbraw/zinc/48/82/73/374488273.db2.gz JOALAEUCBKUOQW-QGZVFWFLSA-N -1 3 266.387 3.378 20 0 CGADHM O=[S@](CCc1ccccc1Cl)c1cccc([O-])c1 ZINC000184068755 374489130 /nfs/dbraw/zinc/48/91/30/374489130.db2.gz JQVLHYBMAZTXLK-GOSISDBHSA-N -1 3 280.776 3.396 20 0 CGADHM C[C@H](c1ccccc1)N(C)CCOc1ccccc1C(=O)[O-] ZINC000183911406 374471906 /nfs/dbraw/zinc/47/19/06/374471906.db2.gz AGTSXZOUCFCCJF-CQSZACIVSA-N -1 3 299.370 3.457 20 0 CGADHM C[C@@H]1CC[C@H](C)N(Cc2ccc(F)cc2C(=O)[O-])C1 ZINC000088712480 541950657 /nfs/dbraw/zinc/95/06/57/541950657.db2.gz GVHUJSSPWQEMJU-MNOVXSKESA-N -1 3 265.328 3.144 20 0 CGADHM O=c1[n-]c([C@@H]2CCCCN2CCCC2CCCC2)n[nH]1 ZINC000331553779 374543223 /nfs/dbraw/zinc/54/32/23/374543223.db2.gz ZWUYOJDYXJGRGD-ZDUSSCGKSA-N -1 3 278.400 3.008 20 0 CGADHM Cc1cc(C(=O)N2C[C@H](C)C[C@@H]2c2cccnc2)ccc1[O-] ZINC000334187359 206163218 /nfs/dbraw/zinc/16/32/18/206163218.db2.gz FWOCFBYRWZECLX-MLGOLLRUSA-N -1 3 296.370 3.319 20 0 CGADHM C[C@H]1C[C@H](c2cccnc2)N(C(=O)c2cccc([O-])c2)C1 ZINC000184763418 374556012 /nfs/dbraw/zinc/55/60/12/374556012.db2.gz YDLCDQBVWIFQKF-BLLLJJGKSA-N -1 3 282.343 3.011 20 0 CGADHM CC[C@](C)(CNCc1ccc(F)cc1Cl)C(=O)[O-] ZINC000277849826 193776862 /nfs/dbraw/zinc/77/68/62/193776862.db2.gz ABHWKGZXNMKOEZ-CYBMUJFWSA-N -1 3 273.735 3.070 20 0 CGADHM O=C(Nc1cccc([O-])c1F)c1ccnc(C2CC2)c1 ZINC000334204114 374658591 /nfs/dbraw/zinc/65/85/91/374658591.db2.gz VLFZLDYOXPPDKD-UHFFFAOYSA-N -1 3 272.279 3.056 20 0 CGADHM O=C(c1cccc([O-])c1)N1C[C@@H]2CCC(=O)c3cccc1c32 ZINC000185822853 374744966 /nfs/dbraw/zinc/74/49/66/374744966.db2.gz GEHBWSDSUOWHOW-LBPRGKRZSA-N -1 3 293.322 3.113 20 0 CGADHM C[C@@]1(NC(=O)Cc2ccc([O-])cc2Cl)CC=CCC1 ZINC000458350295 374775907 /nfs/dbraw/zinc/77/59/07/374775907.db2.gz RDWLKRCFOGDPSM-OAHLLOKOSA-N -1 3 279.767 3.203 20 0 CGADHM C[C@@H]1CCCN(Cc2cc(F)cc(Cl)c2)[C@@H]1C(=O)[O-] ZINC000334576564 374877782 /nfs/dbraw/zinc/87/77/82/374877782.db2.gz HDYZMVFTCDFQNH-RNCFNFMXSA-N -1 3 285.746 3.164 20 0 CGADHM C[C@@H]1C(=O)CC[C@H](C(=O)Nc2cccc([O-])c2F)C1(C)C ZINC000334583384 374882143 /nfs/dbraw/zinc/88/21/43/374882143.db2.gz RLRFWHVTAOHLSL-NXEZZACHSA-N -1 3 293.338 3.111 20 0 CGADHM Cc1ccc(F)c(NC(=O)NCc2ccc([O-])c(F)c2)c1 ZINC000334589804 374889828 /nfs/dbraw/zinc/88/98/28/374889828.db2.gz RURZZQVVQMSBOD-UHFFFAOYSA-N -1 3 292.285 3.301 20 0 CGADHM CC1(C)CCC[C@@H](NC(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC000334650108 374941928 /nfs/dbraw/zinc/94/19/28/374941928.db2.gz DMWIHIJKEIRANI-GFCCVEGCSA-N -1 3 298.386 3.227 20 0 CGADHM O=C(c1ccc(O)cc1[O-])N1CC2(CCC2)[C@@H]1c1ccco1 ZINC000335063955 375100329 /nfs/dbraw/zinc/10/03/29/375100329.db2.gz QCDDWWCYMSJHAK-HNNXBMFYSA-N -1 3 299.326 3.058 20 0 CGADHM COc1ccc(NC(=O)c2cc[nH]c2C2CCC2)c([O-])c1 ZINC000487371757 375233457 /nfs/dbraw/zinc/23/34/57/375233457.db2.gz XZPKXPZIDTYCAA-UHFFFAOYSA-N -1 3 286.331 3.249 20 0 CGADHM CCc1cc(C(=O)Nc2cnn([C@H](C)C3CC3)c2)ccc1[O-] ZINC000487460292 375243589 /nfs/dbraw/zinc/24/35/89/375243589.db2.gz JNCPJBOYMFFGRP-LLVKDONJSA-N -1 3 299.374 3.374 20 0 CGADHM CCC1(NC(=O)c2cc(=O)c3ccccc3[n-]2)CCCCC1 ZINC000335236352 375252892 /nfs/dbraw/zinc/25/28/92/375252892.db2.gz FIQVNXGGNVGCIP-UHFFFAOYSA-N -1 3 298.386 3.371 20 0 CGADHM CCc1ccc(C(=O)N(C)[C@@H](C)c2cccc(O)c2)c([O-])c1 ZINC000188359407 375203630 /nfs/dbraw/zinc/20/36/30/375203630.db2.gz PHFPPTREBPJGTJ-LBPRGKRZSA-N -1 3 299.370 3.493 20 0 CGADHM CC1(CC(=O)Nc2cccc([O-])c2F)CCCC1 ZINC000335185546 375208103 /nfs/dbraw/zinc/20/81/03/375208103.db2.gz HURHQHOQUWGONA-UHFFFAOYSA-N -1 3 251.301 3.440 20 0 CGADHM COc1ccc(O)cc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000188841339 375278286 /nfs/dbraw/zinc/27/82/86/375278286.db2.gz HILTWLKWPBSWAO-UHFFFAOYSA-N -1 3 293.706 3.012 20 0 CGADHM CN(C)c1cccc(CCC(=O)Nc2ccccc2[O-])c1 ZINC000188917723 375291683 /nfs/dbraw/zinc/29/16/83/375291683.db2.gz QLWAUHAZQHHBEK-UHFFFAOYSA-N -1 3 284.359 3.030 20 0 CGADHM [O-]c1cccc(CN2CC[C@H](c3cccnc3)C2)c1Cl ZINC000335445786 375299652 /nfs/dbraw/zinc/29/96/52/375299652.db2.gz YQUSMJXXGDQVAV-ZDUSSCGKSA-N -1 3 288.778 3.430 20 0 CGADHM O=C(/C=C/c1ccc[nH]1)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000492019350 375396471 /nfs/dbraw/zinc/39/64/71/375396471.db2.gz WSWJYCGKJIGOFY-GQCTYLIASA-N -1 3 296.248 3.391 20 0 CGADHM CCC1(CC)CCN(C(=O)c2ccc(O)cc2[O-])CC1 ZINC000189234903 375345206 /nfs/dbraw/zinc/34/52/06/375345206.db2.gz RGQNFZROANNTBN-UHFFFAOYSA-N -1 3 277.364 3.140 20 0 CGADHM CO[C@](C)(C(=O)Nc1ccccc1[O-])c1ccccc1F ZINC000191958640 375684273 /nfs/dbraw/zinc/68/42/73/375684273.db2.gz SYIIGMDSVFRYMG-INIZCTEOSA-N -1 3 289.306 3.032 20 0 CGADHM CC(=O)c1cccc(NC(=O)c2cc(C)oc2C)c1[O-] ZINC000336143642 375721856 /nfs/dbraw/zinc/72/18/56/375721856.db2.gz KQORZZHKUQZGPC-UHFFFAOYSA-N -1 3 273.288 3.057 20 0 CGADHM CC(=O)c1cccc(NC(=O)c2cscc2C)c1[O-] ZINC000336143670 375722187 /nfs/dbraw/zinc/72/21/87/375722187.db2.gz PKRQNESRBVAHDM-UHFFFAOYSA-N -1 3 275.329 3.217 20 0 CGADHM CCN(C(=O)c1cc([O-])ccc1Cl)c1nc(C)cs1 ZINC000336131991 375711981 /nfs/dbraw/zinc/71/19/81/375711981.db2.gz UZHJJLOFEIDJIF-UHFFFAOYSA-N -1 3 296.779 3.477 20 0 CGADHM CCc1onc(C)c1C(=O)[N-]c1cc(F)cc(F)c1F ZINC000336177767 375751860 /nfs/dbraw/zinc/75/18/60/375751860.db2.gz JLBPMZCEOXBEJS-UHFFFAOYSA-N -1 3 284.237 3.215 20 0 CGADHM CCc1ccc([C@H](C)N[C@H](C)c2nc(C)cc(=O)[n-]2)cc1 ZINC000192722071 375782377 /nfs/dbraw/zinc/78/23/77/375782377.db2.gz WKZHWLNIAMUEAS-QWHCGFSZSA-N -1 3 285.391 3.465 20 0 CGADHM CCc1cc(C(=O)N[C@@H]2CCCC(F)(F)C2)ccc1[O-] ZINC000336531254 375810500 /nfs/dbraw/zinc/81/05/00/375810500.db2.gz CSNRXKUQVWZBAJ-GFCCVEGCSA-N -1 3 283.318 3.262 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)N[C@H](C)[C@@H](C)c2ccccc2)n1 ZINC000192768604 375787548 /nfs/dbraw/zinc/78/75/48/375787548.db2.gz UEFNHNCPEURUBY-MGPQQGTHSA-N -1 3 285.391 3.333 20 0 CGADHM CC1(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)CCCCCC1 ZINC000510975312 375789884 /nfs/dbraw/zinc/78/98/84/375789884.db2.gz QSYZOPSMWSPVCE-UHFFFAOYSA-N -1 3 299.378 3.166 20 0 CGADHM CC1(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)CCCCCC1 ZINC000510975312 375789887 /nfs/dbraw/zinc/78/98/87/375789887.db2.gz QSYZOPSMWSPVCE-UHFFFAOYSA-N -1 3 299.378 3.166 20 0 CGADHM [O-]c1ccccc1-c1nc([C@@H]2CCCOC2)cs1 ZINC000336550753 375826327 /nfs/dbraw/zinc/82/63/27/375826327.db2.gz TWYVMULJUYCBOO-SNVBAGLBSA-N -1 3 261.346 3.410 20 0 CGADHM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1ccnc(C)n1 ZINC000130942297 542066675 /nfs/dbraw/zinc/06/66/75/542066675.db2.gz ILMABQBVYUEDPN-UHFFFAOYSA-N -1 3 294.314 3.001 20 0 CGADHM C[C@@H](c1ccc(F)cc1)N(C)C(=O)c1ccccc1[O-] ZINC000193240211 375846437 /nfs/dbraw/zinc/84/64/37/375846437.db2.gz IRKIBUVWEQKPIH-NSHDSACASA-N -1 3 273.307 3.365 20 0 CGADHM COCc1ccc([C@@H]2CCCN2[C@@H](CC(C)C)C(=O)[O-])o1 ZINC000520416639 375854638 /nfs/dbraw/zinc/85/46/38/375854638.db2.gz NMNVIPPCJBENFA-KBPBESRZSA-N -1 3 295.379 3.062 20 0 CGADHM CC1(C)[C@@H]2CN(C(=O)c3cc([O-])ccc3C(F)(F)F)C[C@@H]21 ZINC000193358396 375868189 /nfs/dbraw/zinc/86/81/89/375868189.db2.gz XOSWNSGSKUHWCS-TXEJJXNPSA-N -1 3 299.292 3.139 20 0 CGADHM CCC(CC)N(C(=O)c1cc(C)ccc1[O-])C1CC1 ZINC000539841029 376342338 /nfs/dbraw/zinc/34/23/38/376342338.db2.gz OAGOSGTUKHXLDG-UHFFFAOYSA-N -1 3 261.365 3.494 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2cccc3c2ccn3C)c1 ZINC000539889276 376346230 /nfs/dbraw/zinc/34/62/30/376346230.db2.gz CXPDMSOHLQLGFX-UHFFFAOYSA-N -1 3 280.327 3.445 20 0 CGADHM CC(=O)c1cccc(NC(=O)c2ccc([O-])c(C)c2)c1 ZINC000226951593 376377615 /nfs/dbraw/zinc/37/76/15/376377615.db2.gz WGXLUVUPWSJBMU-UHFFFAOYSA-N -1 3 269.300 3.156 20 0 CGADHM CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc([O-])c(C)c1 ZINC000227018588 376379500 /nfs/dbraw/zinc/37/95/00/376379500.db2.gz QDOMWHBLYHDYJP-OCCSQVGLSA-N -1 3 261.365 3.399 20 0 CGADHM C[C@H]1c2c(F)cccc2CCN1C(=O)c1cccc([O-])c1 ZINC000541889454 376490565 /nfs/dbraw/zinc/49/05/65/376490565.db2.gz MJQWKSITSAGPKO-NSHDSACASA-N -1 3 285.318 3.291 20 0 CGADHM CC1(C)C[C@@H]1CNC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000338813735 376543578 /nfs/dbraw/zinc/54/35/78/376543578.db2.gz FCUUFHZYGPTKPY-MRVPVSSYSA-N -1 3 287.281 3.187 20 0 CGADHM CC[C@@H](CSC)N(C)Cc1ccc(C(=O)[O-])c(F)c1 ZINC000233883626 376604186 /nfs/dbraw/zinc/60/41/86/376604186.db2.gz PEBDUPIJMWAQHY-NSHDSACASA-N -1 3 285.384 3.097 20 0 CGADHM CCC(CC)N(CCOC)C(=O)c1cc([O-])ccc1Cl ZINC000232898779 376592126 /nfs/dbraw/zinc/59/21/26/376592126.db2.gz FXFVSHRNWIZFQO-UHFFFAOYSA-N -1 3 299.798 3.323 20 0 CGADHM O=C(NCc1cccc(F)c1)c1cc([O-])ccc1Cl ZINC000236555593 376667582 /nfs/dbraw/zinc/66/75/82/376667582.db2.gz WXZUWCRIQBLKOQ-UHFFFAOYSA-N -1 3 279.698 3.115 20 0 CGADHM CN(C(=O)c1cc([O-])ccc1Cl)C1CCCCC1 ZINC000234247699 376612790 /nfs/dbraw/zinc/61/27/90/376612790.db2.gz UZTYSFJKMQNBDI-UHFFFAOYSA-N -1 3 267.756 3.450 20 0 CGADHM COc1ccc(NC(=O)c2cc([O-])ccc2Cl)cc1F ZINC000234948914 376627133 /nfs/dbraw/zinc/62/71/33/376627133.db2.gz PFWRWUWSMZFUIZ-UHFFFAOYSA-N -1 3 295.697 3.446 20 0 CGADHM COc1ccc(NC(=O)c2cc([O-])ccc2Cl)cc1 ZINC000234948741 376627472 /nfs/dbraw/zinc/62/74/72/376627472.db2.gz UFHOHWDUXXTYQW-UHFFFAOYSA-N -1 3 277.707 3.307 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2ccccc2OC(C)C)n1 ZINC000339114899 376686541 /nfs/dbraw/zinc/68/65/41/376686541.db2.gz IBGORQBTCYOZKZ-HJWRWDBZSA-N -1 3 270.332 3.448 20 0 CGADHM Cc1cccc(CNc2c(C(=O)[O-])cnc3ccccc32)n1 ZINC000237644971 376756230 /nfs/dbraw/zinc/75/62/30/376756230.db2.gz SEYIGSADSTZBBO-UHFFFAOYSA-N -1 3 293.326 3.249 20 0 CGADHM Cc1ncsc1CN(C)C(=O)c1ccc(C)c(C)c1[O-] ZINC000264659072 190126404 /nfs/dbraw/zinc/12/64/04/190126404.db2.gz KNWLLOXISQACQK-UHFFFAOYSA-N -1 3 290.388 3.046 20 0 CGADHM C[C@@H](CO)CSc1nnc([N-]c2ccccc2F)s1 ZINC000154621826 542118797 /nfs/dbraw/zinc/11/87/97/542118797.db2.gz MOGLUUOWKJQBJS-QMMMGPOBSA-N -1 3 299.396 3.141 20 0 CGADHM C=Cc1ccc(C(=O)Nc2cccc(C(C)=O)c2[O-])cc1 ZINC000556892517 376902083 /nfs/dbraw/zinc/90/20/83/376902083.db2.gz KUVBOZGBRMQRSX-UHFFFAOYSA-N -1 3 281.311 3.490 20 0 CGADHM Cc1cccc(C2(C(=O)Nc3ccccc3[O-])CC2)c1 ZINC000340100795 376917316 /nfs/dbraw/zinc/91/73/16/376917316.db2.gz KOXXTQGWEXCDAJ-UHFFFAOYSA-N -1 3 267.328 3.371 20 0 CGADHM COc1ccc(C2(C(=O)Nc3ccccc3[O-])CCC2)cc1 ZINC000340117322 376923903 /nfs/dbraw/zinc/92/39/03/376923903.db2.gz KAFHAYVDJUZGDR-UHFFFAOYSA-N -1 3 297.354 3.461 20 0 CGADHM CC[C@H](C(=O)N=c1cc2ccccn2[n-]1)c1ccc(F)cc1 ZINC000557528143 376941524 /nfs/dbraw/zinc/94/15/24/376941524.db2.gz HVRSXRVCQBXVNP-HNNXBMFYSA-N -1 3 297.333 3.028 20 0 CGADHM CC1(C)CC(C)(C)c2cc(NC(=O)c3cnn[n-]3)ccc21 ZINC000340372655 377025761 /nfs/dbraw/zinc/02/57/61/377025761.db2.gz JNJXFQFEIQMQNG-UHFFFAOYSA-N -1 3 284.363 3.016 20 0 CGADHM CC1(C)CC(C)(C)c2cc(NC(=O)c3c[n-]nn3)ccc21 ZINC000340372655 377025764 /nfs/dbraw/zinc/02/57/64/377025764.db2.gz JNJXFQFEIQMQNG-UHFFFAOYSA-N -1 3 284.363 3.016 20 0 CGADHM CC1(C)CC(C)(C)c2cc(NC(=O)c3cn[n-]n3)ccc21 ZINC000340372655 377025768 /nfs/dbraw/zinc/02/57/68/377025768.db2.gz JNJXFQFEIQMQNG-UHFFFAOYSA-N -1 3 284.363 3.016 20 0 CGADHM CC1(C)C(C(=O)Nc2cc(F)ccc2[O-])C1(C)C ZINC000340317505 377000432 /nfs/dbraw/zinc/00/04/32/377000432.db2.gz MWVGHBUBPHPBCA-UHFFFAOYSA-N -1 3 251.301 3.152 20 0 CGADHM Cc1cc(C)cc(CN(C)Cc2ncccc2[O-])c1 ZINC000558408378 377004914 /nfs/dbraw/zinc/00/49/14/377004914.db2.gz DVVUJSMOLWIFOK-UHFFFAOYSA-N -1 3 256.349 3.036 20 0 CGADHM C[C@H](CC(=O)Nc1cc(F)ccc1[O-])c1cccnc1 ZINC000340332682 377010897 /nfs/dbraw/zinc/01/08/97/377010897.db2.gz YOFHPCAQWJAFSY-SNVBAGLBSA-N -1 3 274.295 3.059 20 0 CGADHM CCOc1ccc(F)c([N-]C(=O)c2cncc(F)c2)c1F ZINC000340444782 377062902 /nfs/dbraw/zinc/06/29/02/377062902.db2.gz JOPGOOBUNHVLNE-UHFFFAOYSA-N -1 3 296.248 3.150 20 0 CGADHM O=C([O-])C[C@H]1CCCN(C/C=C\c2ccc(F)cc2F)C1 ZINC000560927628 377200410 /nfs/dbraw/zinc/20/04/10/377200410.db2.gz NUYOIGXEFUUOPM-DTRQGZQOSA-N -1 3 295.329 3.165 20 0 CGADHM Cc1cccc(-c2nc([C@H]3CCCS3)no2)c1[O-] ZINC000161650482 542159386 /nfs/dbraw/zinc/15/93/86/542159386.db2.gz OLIYRKUSKDYDEP-SNVBAGLBSA-N -1 3 262.334 3.319 20 0 CGADHM O=C([N-]c1ccsc1Cl)c1snnc1C1CC1 ZINC000562196342 377281862 /nfs/dbraw/zinc/28/18/62/377281862.db2.gz NQEAWLWBJFWHOY-UHFFFAOYSA-N -1 3 285.781 3.383 20 0 CGADHM Cc1cccc([C@@H]2CCCN2Cc2ccc(C(=O)[O-])cn2)c1 ZINC000563278390 377432559 /nfs/dbraw/zinc/43/25/59/377432559.db2.gz JDOFMZBGFAVUTO-KRWDZBQOSA-N -1 3 296.370 3.425 20 0 CGADHM O=C(/C=C/c1ccccc1)Nc1ccc([O-])cc1F ZINC000085203872 249013059 /nfs/dbraw/zinc/01/30/59/249013059.db2.gz BQWBMCKTIQAAQT-RMKNXTFCSA-N -1 3 257.264 3.183 20 0 CGADHM Cc1ccc([O-])c(C(=O)NCC(C)(C)c2cccs2)c1 ZINC000083599895 249006893 /nfs/dbraw/zinc/00/68/93/249006893.db2.gz QKQPKEZSSASYBH-UHFFFAOYSA-N -1 3 289.400 3.470 20 0 CGADHM COCC1(c2noc(-c3cccc(C)c3[O-])n2)CCCC1 ZINC000312978659 249083991 /nfs/dbraw/zinc/08/39/91/249083991.db2.gz LQECOIAZLSPDRJ-UHFFFAOYSA-N -1 3 288.347 3.209 20 0 CGADHM O=C([O-])C1(CNc2ccnc3ccccc32)CCCC1 ZINC000165362654 542173153 /nfs/dbraw/zinc/17/31/53/542173153.db2.gz BIJXJGMKWQOLRZ-UHFFFAOYSA-N -1 3 270.332 3.292 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)COC2CCCC2)c1[O-] ZINC000265257544 190170420 /nfs/dbraw/zinc/17/04/20/190170420.db2.gz BBFIEGLFSCDBEL-UHFFFAOYSA-N -1 3 283.755 3.252 20 0 CGADHM CO[C@H]1CCCC[C@@H]1C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000490822834 249173977 /nfs/dbraw/zinc/17/39/77/249173977.db2.gz RXDMDBYYBSRSMA-AAEUAGOBSA-N -1 3 297.782 3.498 20 0 CGADHM C[C@@H](NCc1nc(C(=O)[O-])cs1)[C@@H](C)c1ccccc1 ZINC000514608391 249181960 /nfs/dbraw/zinc/18/19/60/249181960.db2.gz SOGNEMQIXFEANE-GHMZBOCLSA-N -1 3 290.388 3.123 20 0 CGADHM CC[C@@H]1CCCN([C@@H](C)c2cc(C)c(C(=O)[O-])o2)C1 ZINC000515067966 249200428 /nfs/dbraw/zinc/20/04/28/249200428.db2.gz LSPAEQZAOMEDSD-NWDGAFQWSA-N -1 3 265.353 3.469 20 0 CGADHM CC(C)Cc1c[nH]c(C(=O)Nc2cccc([O-])c2F)c1 ZINC000516549910 249236804 /nfs/dbraw/zinc/23/68/04/249236804.db2.gz BOHRZXUYPXQYSD-UHFFFAOYSA-N -1 3 276.311 3.310 20 0 CGADHM CCC[C@H](CC)S(=O)(=O)[N-]c1cc(C)ccc1O ZINC000517352547 249263739 /nfs/dbraw/zinc/26/37/39/249263739.db2.gz HGHXXYKDKBCZGC-NSHDSACASA-N -1 3 271.382 3.021 20 0 CGADHM CO[C@H]1CCN([C@@H](C)c2cc(C(=O)[O-])c(C)o2)CC1(C)C ZINC000574704869 377698510 /nfs/dbraw/zinc/69/85/10/377698510.db2.gz RXUGZJNAWFNBAU-HZMBPMFUSA-N -1 3 295.379 3.094 20 0 CGADHM CC[C@@H](SC)C(=O)Nc1c([O-])cccc1Cl ZINC000575011147 377739092 /nfs/dbraw/zinc/73/90/92/377739092.db2.gz QOWFFCKWRYGENS-SECBINFHSA-N -1 3 259.758 3.126 20 0 CGADHM O=C(/C=C\c1cncc([O-])c1)Nc1ccccc1Cl ZINC000255719186 377777149 /nfs/dbraw/zinc/77/71/49/377777149.db2.gz HWOXGOVYROTDIY-WAYWQWQTSA-N -1 3 274.707 3.093 20 0 CGADHM CCC[C@H](C)S(=O)(=O)[N-]c1ccccc1OCC1CC1 ZINC000575185704 377759729 /nfs/dbraw/zinc/75/97/29/377759729.db2.gz HEJGZTQPQFTWDZ-LBPRGKRZSA-N -1 3 297.420 3.406 20 0 CGADHM CC(C)(CCNCc1ccc(Cl)cc1F)C(=O)[O-] ZINC000261585861 377823957 /nfs/dbraw/zinc/82/39/57/377823957.db2.gz TZUNILDNZJEPGP-UHFFFAOYSA-N -1 3 273.735 3.070 20 0 CGADHM O=C(c1cccc2[n-]nnc21)N1CCC2(CCCCC2)CC1 ZINC000182758913 542226042 /nfs/dbraw/zinc/22/60/42/542226042.db2.gz NLIVDSZWRRQENE-UHFFFAOYSA-N -1 3 298.390 3.144 20 0 CGADHM O=C(c1cccc2nn[n-]c21)N1CCC2(CCCCC2)CC1 ZINC000182758913 542226045 /nfs/dbraw/zinc/22/60/45/542226045.db2.gz NLIVDSZWRRQENE-UHFFFAOYSA-N -1 3 298.390 3.144 20 0 CGADHM O=C(c1cccc2n[n-]nc21)N1CCC2(CCCCC2)CC1 ZINC000182758913 542226048 /nfs/dbraw/zinc/22/60/48/542226048.db2.gz NLIVDSZWRRQENE-UHFFFAOYSA-N -1 3 298.390 3.144 20 0 CGADHM C[C@@H](c1ccco1)N(CCCCC(=O)[O-])C1CC1 ZINC000575322537 377879760 /nfs/dbraw/zinc/87/97/60/377879760.db2.gz KOLHUJDRNPTQOZ-NSHDSACASA-N -1 3 251.326 3.060 20 0 CGADHM C[C@H](c1cc(F)ccc1F)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000262092969 377887068 /nfs/dbraw/zinc/88/70/68/377887068.db2.gz GPPIQMPCZNYVQY-OHUAYANFSA-N -1 3 295.329 3.213 20 0 CGADHM C[C@H]1C[C@@H](C(=O)[O-])CN(Cc2ccc(F)c(Cl)c2)C1 ZINC000263100386 377918868 /nfs/dbraw/zinc/91/88/68/377918868.db2.gz WORIVTIDFAQWJF-GXSJLCMTSA-N -1 3 285.746 3.022 20 0 CGADHM CCC[C@H](NCc1cc(Cl)sc1Cl)C(=O)[O-] ZINC000263168691 377921251 /nfs/dbraw/zinc/92/12/51/377921251.db2.gz PSOHEXVZYUAUAD-ZETCQYMHSA-N -1 3 282.192 3.398 20 0 CGADHM CCc1c(C)nc2ccccc2c1N(C)CCC(=O)[O-] ZINC000263433050 377936021 /nfs/dbraw/zinc/93/60/21/377936021.db2.gz UHFBCUXQHBFMGI-UHFFFAOYSA-N -1 3 272.348 3.017 20 0 CGADHM Cc1nc2ccccc2c(N2CC[C@](C)(C(=O)[O-])C2)c1C ZINC000263443391 377937867 /nfs/dbraw/zinc/93/78/67/377937867.db2.gz XWIPJHPQXVMLSX-KRWDZBQOSA-N -1 3 284.359 3.153 20 0 CGADHM Cc1ccccc1-c1ccccc1CN1CC(C(=O)[O-])C1 ZINC000263484208 377941644 /nfs/dbraw/zinc/94/16/44/377941644.db2.gz GZDFITFRCJHKAB-UHFFFAOYSA-N -1 3 281.355 3.178 20 0 CGADHM CCCCc1oc2ccccc2c1CN1CC(C(=O)[O-])C1 ZINC000263516623 377944643 /nfs/dbraw/zinc/94/46/43/377944643.db2.gz OYIGNIWTZQHEIL-UHFFFAOYSA-N -1 3 287.359 3.292 20 0 CGADHM Cc1cc(C)cc(-c2ccc(CN3CC(C(=O)[O-])C3)cc2)c1 ZINC000263533065 377945912 /nfs/dbraw/zinc/94/59/12/377945912.db2.gz XPNQREBMSDLWDD-UHFFFAOYSA-N -1 3 295.382 3.487 20 0 CGADHM CO[C@H]1CCC[C@@H](C(=O)Nc2cc(Cl)ccc2[O-])C1 ZINC000343305345 377949027 /nfs/dbraw/zinc/94/90/27/377949027.db2.gz WYPNHUVWAUGIOY-KOLCDFICSA-N -1 3 283.755 3.189 20 0 CGADHM CC(C)C[C@H](CNCc1ccc([C@@H]2C[C@@H]2C)o1)C(=O)[O-] ZINC000263053292 377916033 /nfs/dbraw/zinc/91/60/33/377916033.db2.gz LFLPFENPZIFNSE-OUCADQQQSA-N -1 3 279.380 3.240 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCCC[C@H]2C(C)(C)C)o1 ZINC000575823222 377993739 /nfs/dbraw/zinc/99/37/39/377993739.db2.gz UNXYYSOCTMNVKU-OLZOCXBDSA-N -1 3 299.436 3.471 20 0 CGADHM C[C@H](NCc1cc(C(=O)[O-])co1)[C@@H](C)c1ccccc1 ZINC000579245096 378143772 /nfs/dbraw/zinc/14/37/72/378143772.db2.gz FJQACYLFOOETTN-NEPJUHHUSA-N -1 3 273.332 3.260 20 0 CGADHM CSc1nnc(NC(=O)c2ccc(C(C)(C)C)s2)[n-]1 ZINC000268669337 378088130 /nfs/dbraw/zinc/08/81/30/378088130.db2.gz ZIIHXPVRRDYTHM-UHFFFAOYSA-N -1 3 296.421 3.138 20 0 CGADHM CSc1n[n-]c(NC(=O)c2ccc(C(C)(C)C)s2)n1 ZINC000268669337 378088134 /nfs/dbraw/zinc/08/81/34/378088134.db2.gz ZIIHXPVRRDYTHM-UHFFFAOYSA-N -1 3 296.421 3.138 20 0 CGADHM CSc1nc(NC(=O)c2ccc(C(C)(C)C)s2)n[n-]1 ZINC000268669337 378088136 /nfs/dbraw/zinc/08/81/36/378088136.db2.gz ZIIHXPVRRDYTHM-UHFFFAOYSA-N -1 3 296.421 3.138 20 0 CGADHM CSc1ccc([C@H](C)NC(=O)c2csc(=O)[n-]2)cc1 ZINC000343834552 378108080 /nfs/dbraw/zinc/10/80/80/378108080.db2.gz RZRMHKYKBXGJDG-QMMMGPOBSA-N -1 3 294.401 3.062 20 0 CGADHM CSc1ccc([C@@H](C)NC(=O)c2csc(=O)[n-]2)cc1 ZINC000343834551 378108399 /nfs/dbraw/zinc/10/83/99/378108399.db2.gz RZRMHKYKBXGJDG-MRVPVSSYSA-N -1 3 294.401 3.062 20 0 CGADHM C[C@@H]1CCN(C/C=C/c2ccc(F)cc2F)C[C@@H]1C(=O)[O-] ZINC000580074969 378222650 /nfs/dbraw/zinc/22/26/50/378222650.db2.gz PQCKTKFFIGUWRA-XXMQVSLVSA-N -1 3 295.329 3.021 20 0 CGADHM Cc1ncc(CN[C@H](C)c2csc(Cl)c2)c(=O)[n-]1 ZINC000345273688 378241000 /nfs/dbraw/zinc/24/10/00/378241000.db2.gz BYWADIWQKKWGNW-SSDOTTSWSA-N -1 3 283.784 3.056 20 0 CGADHM CC[C@H](SC)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000270137399 378312427 /nfs/dbraw/zinc/31/24/27/378312427.db2.gz STLXXQKPTGSPEI-JTQLQIEISA-N -1 3 259.758 3.126 20 0 CGADHM CCCO[C@H]1CCCN(Cc2csc(C(=O)[O-])c2)CC1 ZINC000582425900 378313902 /nfs/dbraw/zinc/31/39/02/378313902.db2.gz STXGDEUOUIGCDA-ZDUSSCGKSA-N -1 3 297.420 3.227 20 0 CGADHM CCSCC[C@H](C)N(C)Cc1ccsc1C(=O)[O-] ZINC000583268677 378316239 /nfs/dbraw/zinc/31/62/39/378316239.db2.gz SBORUXUYHDFZAH-JTQLQIEISA-N -1 3 287.450 3.410 20 0 CGADHM O=C([N-][C@@H]1CC=CCC1)C(F)(F)c1c(F)cccc1F ZINC000270423510 378350156 /nfs/dbraw/zinc/35/01/56/378350156.db2.gz NQQPUIQLWWWPKX-SECBINFHSA-N -1 3 287.256 3.282 20 0 CGADHM Cc1ccc([O-])c(NC(=O)[C@H](C)CC2CCCC2)n1 ZINC000345925377 378410718 /nfs/dbraw/zinc/41/07/18/378410718.db2.gz JSCVNSVNPPHKBK-SNVBAGLBSA-N -1 3 262.353 3.251 20 0 CGADHM Cc1ccc([O-])c(C(=O)N[C@@H]2CCO[C@H](C(C)(C)C)C2)c1 ZINC000270889573 378410738 /nfs/dbraw/zinc/41/07/38/378410738.db2.gz MNZHPDRYVCPSBO-DOMZBBRYSA-N -1 3 291.391 3.024 20 0 CGADHM C[C@@H]1CCN(C(=O)c2cc(=O)c3ccccc3[n-]2)C[C@H]1C ZINC000270913288 378414053 /nfs/dbraw/zinc/41/40/53/378414053.db2.gz CUHLKYBPVXEQAX-VXGBXAGGSA-N -1 3 284.359 3.059 20 0 CGADHM CCN(CC1CC1)C(=O)c1ccc(C(C)C)cc1[O-] ZINC000270702071 378390287 /nfs/dbraw/zinc/39/02/87/378390287.db2.gz FTJXQXDKQGHOOQ-UHFFFAOYSA-N -1 3 261.365 3.388 20 0 CGADHM Cc1ccc([O-])c(NC(=O)CCCc2ccccc2)n1 ZINC000345976402 378427245 /nfs/dbraw/zinc/42/72/45/378427245.db2.gz HCLUCKIWZBRSMX-UHFFFAOYSA-N -1 3 270.332 3.057 20 0 CGADHM C[C@H](CC(=O)[N-]OC1CCCC1)c1ccccc1F ZINC000271811157 378506830 /nfs/dbraw/zinc/50/68/30/378506830.db2.gz UHZMMCZRGPJLFD-LLVKDONJSA-N -1 3 265.328 3.310 20 0 CGADHM COCCC[C@@H](C)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000272277574 378601802 /nfs/dbraw/zinc/60/18/02/378601802.db2.gz DGDQHYLGTHUDQM-SECBINFHSA-N -1 3 271.744 3.047 20 0 CGADHM CC(C)[C@H]1C[C@H](CC(=O)Nc2cc(F)ccc2[O-])CCO1 ZINC000272739754 378696966 /nfs/dbraw/zinc/69/69/66/378696966.db2.gz BZTQMUJSAHXHGF-IAQYHMDHSA-N -1 3 295.354 3.311 20 0 CGADHM Cc1cc(C(=O)Nc2nnc(C(C)(C)C)s2)ccc1[O-] ZINC000272612863 378676640 /nfs/dbraw/zinc/67/66/40/378676640.db2.gz RZGZGIKUVZENOO-UHFFFAOYSA-N -1 3 291.376 3.102 20 0 CGADHM Cc1ncc(CN[C@H]2CC[C@H](C)c3ccccc32)c(=O)[n-]1 ZINC000346800005 378689192 /nfs/dbraw/zinc/68/91/92/378689192.db2.gz QKIAVGALQNABFA-ZBEGNZNMSA-N -1 3 283.375 3.219 20 0 CGADHM CSc1nnc(NC(=O)c2cc(C)c(C)cc2Cl)[n-]1 ZINC000272697465 378690098 /nfs/dbraw/zinc/69/00/98/378690098.db2.gz IIRNIFZXCSYNHE-UHFFFAOYSA-N -1 3 296.783 3.049 20 0 CGADHM CSc1n[n-]c(NC(=O)c2cc(C)c(C)cc2Cl)n1 ZINC000272697465 378690102 /nfs/dbraw/zinc/69/01/02/378690102.db2.gz IIRNIFZXCSYNHE-UHFFFAOYSA-N -1 3 296.783 3.049 20 0 CGADHM CSc1nc(NC(=O)c2cc(C)c(C)cc2Cl)n[n-]1 ZINC000272697465 378690104 /nfs/dbraw/zinc/69/01/04/378690104.db2.gz IIRNIFZXCSYNHE-UHFFFAOYSA-N -1 3 296.783 3.049 20 0 CGADHM O=C([N-]OC1CCCC1)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000274303511 378807136 /nfs/dbraw/zinc/80/71/36/378807136.db2.gz OJWIDHTWBCLARS-QWRGUYRKSA-N -1 3 299.292 3.198 20 0 CGADHM C[C@@H]1CCN(C(=O)CCC2CC2)c2c([O-])cccc21 ZINC000274390196 378824165 /nfs/dbraw/zinc/82/41/65/378824165.db2.gz PCYCUVLPSIDCGA-LLVKDONJSA-N -1 3 259.349 3.423 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])c1cccc2ccc(=O)[nH]c21 ZINC000348849427 379082874 /nfs/dbraw/zinc/08/28/74/379082874.db2.gz QJRYKPBGRFMXGN-UHFFFAOYSA-N -1 3 298.273 3.037 20 0 CGADHM COc1cccc([C@@H](CC(=O)[O-])NCc2cccs2)c1 ZINC000277217405 379102024 /nfs/dbraw/zinc/10/20/24/379102024.db2.gz HPBVYYJUTRQOTB-CQSZACIVSA-N -1 3 291.372 3.062 20 0 CGADHM COC(=O)c1cnc(SCCCCC(F)(F)F)[n-]1 ZINC000278731586 194128504 /nfs/dbraw/zinc/12/85/04/194128504.db2.gz UNNZULKJUCOKNG-UHFFFAOYSA-N -1 3 282.287 3.021 20 0 CGADHM CCCCCN(C(=O)c1cc(F)cc2[n-]nnc21)C(C)C ZINC000277317440 379129280 /nfs/dbraw/zinc/12/92/80/379129280.db2.gz FNEHNMNMQWQFGG-UHFFFAOYSA-N -1 3 292.358 3.138 20 0 CGADHM CCCCCN(C(=O)c1cc(F)cc2nn[n-]c21)C(C)C ZINC000277317440 379129285 /nfs/dbraw/zinc/12/92/85/379129285.db2.gz FNEHNMNMQWQFGG-UHFFFAOYSA-N -1 3 292.358 3.138 20 0 CGADHM CCCCCN(C(=O)c1cc(F)cc2n[n-]nc21)C(C)C ZINC000277317440 379129293 /nfs/dbraw/zinc/12/92/93/379129293.db2.gz FNEHNMNMQWQFGG-UHFFFAOYSA-N -1 3 292.358 3.138 20 0 CGADHM Cc1ncccc1-c1noc(/C=C/c2cccc([O-])c2)n1 ZINC000347522100 218262455 /nfs/dbraw/zinc/26/24/55/218262455.db2.gz BIVQLEPXVJJVQZ-BQYQJAHWSA-N -1 3 279.299 3.316 20 0 CGADHM Cc1ncccc1-c1noc(-c2cc(-c3ccco3)n[n-]2)n1 ZINC000347525730 218262666 /nfs/dbraw/zinc/26/26/66/218262666.db2.gz CUFHTNFJHDIRLG-UHFFFAOYSA-N -1 3 293.286 3.090 20 0 CGADHM Cc1ncccc1-c1noc(-c2cc(-c3ccco3)[n-]n2)n1 ZINC000347525730 218262667 /nfs/dbraw/zinc/26/26/67/218262667.db2.gz CUFHTNFJHDIRLG-UHFFFAOYSA-N -1 3 293.286 3.090 20 0 CGADHM C[C@@H]1CC[C@H](C)CN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000266489390 190261085 /nfs/dbraw/zinc/26/10/85/190261085.db2.gz RYGTVDYSTJKMJZ-NWDGAFQWSA-N -1 3 284.359 3.201 20 0 CGADHM C[C@@H]1CC[C@H](NC(=O)c2c[n-]c3ccccc3c2=O)C[C@@H]1C ZINC000349591460 379312160 /nfs/dbraw/zinc/31/21/60/379312160.db2.gz UPCDBVDJXIIMTO-AGIUHOORSA-N -1 3 298.386 3.083 20 0 CGADHM CCOc1cc(CN2CC(C)(C)C2)cc(Cl)c1[O-] ZINC000639393089 379359888 /nfs/dbraw/zinc/35/98/88/379359888.db2.gz FROOKEOUQFIGAI-UHFFFAOYSA-N -1 3 269.772 3.286 20 0 CGADHM C[C@@]1(c2ccccc2)CCN(C(=O)c2ccccc2[O-])C1 ZINC000374530564 379454633 /nfs/dbraw/zinc/45/46/33/379454633.db2.gz NCDLCQCWYJKDKL-GOSISDBHSA-N -1 3 281.355 3.196 20 0 CGADHM COc1ccc(CN(C)Cc2c(F)ccc([O-])c2F)cc1 ZINC000350184931 379527532 /nfs/dbraw/zinc/52/75/32/379527532.db2.gz SEUBDKUCMAXAGY-UHFFFAOYSA-N -1 3 293.313 3.311 20 0 CGADHM CCOc1ccc(NC([O-])=NOC/C=C/Cl)c(C)c1 ZINC000289445866 197352446 /nfs/dbraw/zinc/35/24/46/197352446.db2.gz BBVAEXPOGRGGBV-QPJJXVBHSA-N -1 3 284.743 3.199 20 0 CGADHM CCC[C@@](C)(CC)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000279905177 379549126 /nfs/dbraw/zinc/54/91/26/379549126.db2.gz LOEXKULQFZZKHH-OAHLLOKOSA-N -1 3 287.367 3.022 20 0 CGADHM CCC[C@@](C)(CC)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000279905177 379549135 /nfs/dbraw/zinc/54/91/35/379549135.db2.gz LOEXKULQFZZKHH-OAHLLOKOSA-N -1 3 287.367 3.022 20 0 CGADHM CCc1ccc(C(C)(C)NC(=O)c2csc(=O)[n-]2)cc1 ZINC000350157151 379521206 /nfs/dbraw/zinc/52/12/06/379521206.db2.gz RJHVXUIKDDRIEU-UHFFFAOYSA-N -1 3 290.388 3.076 20 0 CGADHM CSCCO[N-]C(=O)C1(Cc2ccccc2Cl)CC1 ZINC000280085680 379600122 /nfs/dbraw/zinc/60/01/22/379600122.db2.gz STPWEQAXXKLGNG-UHFFFAOYSA-N -1 3 299.823 3.074 20 0 CGADHM CC(=O)c1cccc(-c2nc(-c3ccc([O-])cc3)no2)c1 ZINC000350580016 379564111 /nfs/dbraw/zinc/56/41/11/379564111.db2.gz OLWKGFDMZJBENN-UHFFFAOYSA-N -1 3 280.283 3.312 20 0 CGADHM CCOc1cc(-c2noc([C@@H]3[C@H](C)C3(F)F)n2)ccc1[O-] ZINC000350581412 379567262 /nfs/dbraw/zinc/56/72/62/379567262.db2.gz QCOZVLULRSVXQL-CPCISQLKSA-N -1 3 296.273 3.210 20 0 CGADHM C[C@H]1CCCN1C(=O)c1cc([O-])ccc1C(F)(F)F ZINC000280235641 379649583 /nfs/dbraw/zinc/64/95/83/379649583.db2.gz SRRPUERUIDXMOP-QMMMGPOBSA-N -1 3 273.254 3.036 20 0 CGADHM CO[C@H]1CCC[C@H](Cc2nc(-c3ccc([O-])cc3)no2)C1 ZINC000280253289 379656997 /nfs/dbraw/zinc/65/69/97/379656997.db2.gz IZQQXINCPJZZGO-FZMZJTMJSA-N -1 3 288.347 3.190 20 0 CGADHM CC1(C)CN(C(=O)c2cc(C(F)F)[n-]n2)c2ccccc21 ZINC000639953913 379665173 /nfs/dbraw/zinc/66/51/73/379665173.db2.gz IWUNYOMBKBYWLM-UHFFFAOYSA-N -1 3 291.301 3.285 20 0 CGADHM CCCC[C@H](CC)CC(=O)NCc1ncccc1[O-] ZINC000352517322 379842089 /nfs/dbraw/zinc/84/20/89/379842089.db2.gz PDEVKMNSLRPZJC-LBPRGKRZSA-N -1 3 264.369 3.010 20 0 CGADHM C[C@@H]1CCC[C@@H]1CC(=O)Nc1ccc([O-])cc1F ZINC000347864239 218380950 /nfs/dbraw/zinc/38/09/50/218380950.db2.gz FXABGYHBKFPJNF-NXEZZACHSA-N -1 3 251.301 3.296 20 0 CGADHM O=C([N-]OCc1ccccc1)[C@H]1CCCC(F)(F)C1 ZINC000282741337 379979004 /nfs/dbraw/zinc/97/90/04/379979004.db2.gz RQTWFPISUVKUMK-LBPRGKRZSA-N -1 3 269.291 3.060 20 0 CGADHM CC[C@@]1(C)CCN(Cc2ccc(F)cc2C(=O)[O-])C1 ZINC000399371659 379938861 /nfs/dbraw/zinc/93/88/61/379938861.db2.gz VNVDJOHLCXIHFY-HNNXBMFYSA-N -1 3 265.328 3.146 20 0 CGADHM CC[C@@H](C)C(=O)N=c1[nH][n-]c(C)c1-c1ccc(Cl)cc1 ZINC000641248644 379981332 /nfs/dbraw/zinc/98/13/32/379981332.db2.gz JAZIZUDVIIMWBJ-SECBINFHSA-N -1 3 291.782 3.445 20 0 CGADHM Cc1ccc([O-])c(C(=O)NC(C)(C)c2ccc(C)nc2)c1 ZINC000352760062 379943556 /nfs/dbraw/zinc/94/35/56/379943556.db2.gz NOZWDKIHYJREBH-UHFFFAOYSA-N -1 3 284.359 3.069 20 0 CGADHM CC[C@H](C)C[C@@H](C)[N-]S(=O)(=O)c1ccc(C)cc1F ZINC000404858616 379985013 /nfs/dbraw/zinc/98/50/13/379985013.db2.gz BMEPUYUITRMRNJ-CMPLNLGQSA-N -1 3 287.400 3.237 20 0 CGADHM Cc1cccc2c(=O)c(C(=O)N3CCC[C@H]3C(C)C)c[n-]c12 ZINC000408345656 380005340 /nfs/dbraw/zinc/00/53/40/380005340.db2.gz CUXAGIHRNXSXBM-HNNXBMFYSA-N -1 3 298.386 3.097 20 0 CGADHM CC(C)C1(CNC(=O)c2cc(=O)c3ccccc3[n-]2)CC1 ZINC000267783483 190354202 /nfs/dbraw/zinc/35/42/02/190354202.db2.gz KBALEJUUHUQYEO-UHFFFAOYSA-N -1 3 284.359 3.106 20 0 CGADHM Cc1cc(S(=O)(=O)[N-]CC2(C)CCC2)sc1Cl ZINC000352990774 380067156 /nfs/dbraw/zinc/06/71/56/380067156.db2.gz OWAUUKVPKSFAID-UHFFFAOYSA-N -1 3 293.841 3.178 20 0 CGADHM COc1ccc([O-])c(C(=O)N(C2CC2)C2CCCCC2)c1 ZINC000642061720 380135373 /nfs/dbraw/zinc/13/53/73/380135373.db2.gz NMAOEONVGPTFPX-UHFFFAOYSA-N -1 3 289.375 3.338 20 0 CGADHM O=C([O-])CCCCNCc1ccc(Oc2ccccc2)o1 ZINC000414677922 380367964 /nfs/dbraw/zinc/36/79/64/380367964.db2.gz IPUIRGIVBPITQY-UHFFFAOYSA-N -1 3 289.331 3.416 20 0 CGADHM CCc1ccc([O-])c(C(=O)N(C)Cc2ccoc2C)c1 ZINC000354465756 380449531 /nfs/dbraw/zinc/44/95/31/380449531.db2.gz WWUOUMKTPWTLPN-UHFFFAOYSA-N -1 3 273.332 3.128 20 0 CGADHM Cc1cc(C(=O)N2CCc3c(F)cccc3C2)ccc1[O-] ZINC000354609263 380502071 /nfs/dbraw/zinc/50/20/71/380502071.db2.gz OIGRJEKFLWLTED-UHFFFAOYSA-N -1 3 285.318 3.038 20 0 CGADHM O=c1cc(CNc2ccc(Cl)cc2)nc(C2CC2)[n-]1 ZINC000417000720 380558552 /nfs/dbraw/zinc/55/85/52/380558552.db2.gz ZDYLEBCXQNABAX-UHFFFAOYSA-N -1 3 275.739 3.325 20 0 CGADHM CC(C)(CCCNCc1sccc1Cl)C(=O)[O-] ZINC000417560547 380638335 /nfs/dbraw/zinc/63/83/35/380638335.db2.gz HNEICKBPCKCHKQ-UHFFFAOYSA-N -1 3 275.801 3.382 20 0 CGADHM CCc1ccc(C(=O)Nc2ccc([O-])cc2F)c(C)n1 ZINC000355320696 380641772 /nfs/dbraw/zinc/64/17/72/380641772.db2.gz VPNJXPICLHWVTG-UHFFFAOYSA-N -1 3 274.295 3.049 20 0 CGADHM [O-]c1cccnc1CNCc1csc(Cl)c1Cl ZINC000355322804 380641912 /nfs/dbraw/zinc/64/19/12/380641912.db2.gz VNVFOYFJJMRZMF-UHFFFAOYSA-N -1 3 289.187 3.445 20 0 CGADHM C[C@@H](C(=O)[O-])[C@H](C)NCc1csc(Cl)c1Cl ZINC000417606232 380648617 /nfs/dbraw/zinc/64/86/17/380648617.db2.gz JQKJVQVHKPYJAB-RITPCOANSA-N -1 3 282.192 3.254 20 0 CGADHM CCc1ccc(-c2ccc(CNC[C@H](C)C(=O)[O-])o2)cc1 ZINC000417584072 380644680 /nfs/dbraw/zinc/64/46/80/380644680.db2.gz MBBCDEBVTKENRN-LBPRGKRZSA-N -1 3 287.359 3.319 20 0 CGADHM Cc1cc(F)ccc1-c1ccc(CNC[C@H](C)C(=O)[O-])o1 ZINC000417590935 380645624 /nfs/dbraw/zinc/64/56/24/380645624.db2.gz WVAPTTYTFNEMHR-NSHDSACASA-N -1 3 291.322 3.204 20 0 CGADHM Cc1ccccc1[C@H](CO)NCc1cccc([O-])c1Cl ZINC000645160431 380598466 /nfs/dbraw/zinc/59/84/66/380598466.db2.gz ALGTUHCWICFJNJ-AWEZNQCLSA-N -1 3 291.778 3.177 20 0 CGADHM CC1(C)[C@H](NCc2cccc([O-])c2Cl)[C@@H]2CCCO[C@@H]21 ZINC000645157059 380598575 /nfs/dbraw/zinc/59/85/75/380598575.db2.gz LXGGQNXIHUTCRM-GLQYFDAESA-N -1 3 295.810 3.339 20 0 CGADHM COc1ccc(CNCc2ncccc2[O-])c2ccccc12 ZINC000355338772 380648793 /nfs/dbraw/zinc/64/87/93/380648793.db2.gz TYZLDHLWVAOORS-UHFFFAOYSA-N -1 3 294.354 3.239 20 0 CGADHM Cc1ccsc1CNCc1ccc(C(=O)[O-])c(C)c1 ZINC000417672727 380665153 /nfs/dbraw/zinc/66/51/53/380665153.db2.gz UHXRKOORPKITJE-UHFFFAOYSA-N -1 3 275.373 3.353 20 0 CGADHM COc1ccccc1CN[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC000417613544 380651678 /nfs/dbraw/zinc/65/16/78/380651678.db2.gz DCDVPDJWHWLCDV-JKSUJKDBSA-N -1 3 297.354 3.098 20 0 CGADHM COCc1cccc(CNCc2ccc(C(=O)[O-])c(C)c2)c1 ZINC000417644377 380660926 /nfs/dbraw/zinc/66/09/26/380660926.db2.gz AKLIUKYVOWDJHA-UHFFFAOYSA-N -1 3 299.370 3.129 20 0 CGADHM Cc1csc(-c2noc(-c3cc(-c4ccco4)[n-]n3)n2)n1 ZINC000356673786 380818939 /nfs/dbraw/zinc/81/89/39/380818939.db2.gz BLPOWAVGDKIVJX-UHFFFAOYSA-N -1 3 299.315 3.152 20 0 CGADHM Cc1csc(-c2noc(-c3cc(-c4ccco4)n[n-]3)n2)n1 ZINC000356673786 380818946 /nfs/dbraw/zinc/81/89/46/380818946.db2.gz BLPOWAVGDKIVJX-UHFFFAOYSA-N -1 3 299.315 3.152 20 0 CGADHM CC[C@H]1CCC[C@H](NC(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC000334758574 207026056 /nfs/dbraw/zinc/02/60/56/207026056.db2.gz FGUUHVXJKWLZJA-STQMWFEESA-N -1 3 298.386 3.227 20 0 CGADHM CC[C@H]1C[C@@H](NCc2cccc([O-])c2Cl)CCO1 ZINC000421384988 380929497 /nfs/dbraw/zinc/92/94/97/380929497.db2.gz MUCWJOQKTBBVDY-RYUDHWBXSA-N -1 3 269.772 3.093 20 0 CGADHM C[C@H](NC(=O)c1cccc([O-])c1)c1c(F)cccc1F ZINC000357184939 381058057 /nfs/dbraw/zinc/05/80/57/381058057.db2.gz IJHRRQQMBNIZEF-VIFPVBQESA-N -1 3 277.270 3.161 20 0 CGADHM CC[C@@H](C)[C@@H]1CCCCN1C(=O)c1cccc([O-])c1 ZINC000357298097 381097527 /nfs/dbraw/zinc/09/75/27/381097527.db2.gz ZFPSXOHDMLPEAH-DOMZBBRYSA-N -1 3 261.365 3.433 20 0 CGADHM Cc1ccc2c(c1)CC[C@H]2NC(=O)c1cccc([O-])c1 ZINC000357331429 381110023 /nfs/dbraw/zinc/11/00/23/381110023.db2.gz DKTFZOCFVLGPQU-MRXNPFEDSA-N -1 3 267.328 3.118 20 0 CGADHM COc1ccccc1CC(C)(C)NC(=O)c1cccc([O-])c1 ZINC000357436492 381156681 /nfs/dbraw/zinc/15/66/81/381156681.db2.gz VYDBXSQKAQMSOP-UHFFFAOYSA-N -1 3 299.370 3.152 20 0 CGADHM CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1cccc([O-])c1 ZINC000357370979 381131803 /nfs/dbraw/zinc/13/18/03/381131803.db2.gz KIWXOEHBURPBQK-SWLSCSKDSA-N -1 3 261.365 3.433 20 0 CGADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1cncs1 ZINC000334919329 207293500 /nfs/dbraw/zinc/29/35/00/207293500.db2.gz YTYWMSKJIQBJPZ-UHFFFAOYSA-N -1 3 288.250 3.120 20 0 CGADHM O=c1[n-]c(-c2ncccn2)nc2cc(Cl)c(Cl)cc21 ZINC000362331464 381944384 /nfs/dbraw/zinc/94/43/84/381944384.db2.gz BJRGPJPEYQWZMS-UHFFFAOYSA-N -1 3 293.113 3.099 20 0 CGADHM CCc1cc(C(=O)N2Cc3ccccc3C2)ccc1[O-] ZINC000362800406 382122224 /nfs/dbraw/zinc/12/22/24/382122224.db2.gz FPEVABOGHOQFFV-UHFFFAOYSA-N -1 3 267.328 3.111 20 0 CGADHM CCCC[C@H](NC(=O)c1ccc2n[n-]nc2c1)C1CCC1 ZINC000362601987 382075091 /nfs/dbraw/zinc/07/50/91/382075091.db2.gz VYXPPCOWASDCFA-ZDUSSCGKSA-N -1 3 286.379 3.047 20 0 CGADHM CCOc1ccc(NC(=O)[N-]OC/C=C/Cl)c(C)c1 ZINC000289445866 197352448 /nfs/dbraw/zinc/35/24/48/197352448.db2.gz BBVAEXPOGRGGBV-QPJJXVBHSA-N -1 3 284.743 3.199 20 0 CGADHM C[C@H]1C[C@H](C(=O)Nc2ccc(C(C)(C)C)cc2[O-])CCO1 ZINC000334963187 207372309 /nfs/dbraw/zinc/37/23/09/207372309.db2.gz NUOBYWQZQRZMMI-NWDGAFQWSA-N -1 3 291.391 3.443 20 0 CGADHM C[C@@H]1CCC[C@H](C)N1Cc1ccc(C(=O)[O-])c(F)c1 ZINC000235549456 542312095 /nfs/dbraw/zinc/31/20/95/542312095.db2.gz JTYJDYYIPZXKJU-PHIMTYICSA-N -1 3 265.328 3.287 20 0 CGADHM CCc1nc(C)c(C(=O)Nc2c(C)cccc2[O-])s1 ZINC000334973758 207395056 /nfs/dbraw/zinc/39/50/56/207395056.db2.gz WIMWOSJUTDYBQC-UHFFFAOYSA-N -1 3 276.361 3.280 20 0 CGADHM CSc1ccc(CN[C@@H](C(=O)[O-])c2ccsc2)cc1 ZINC000426833859 532958365 /nfs/dbraw/zinc/95/83/65/532958365.db2.gz NFAUZEZEIZGPEK-CYBMUJFWSA-N -1 3 293.413 3.386 20 0 CGADHM CCc1nc(C)c(C(=O)Nc2cc(F)ccc2[O-])s1 ZINC000335365625 208286516 /nfs/dbraw/zinc/28/65/16/208286516.db2.gz TWZDXNYKOIMPIZ-UHFFFAOYSA-N -1 3 280.324 3.111 20 0 CGADHM [O-]c1cccc(CN2CCC[C@@H](c3ncc[nH]3)C2)c1Cl ZINC000335403923 208382949 /nfs/dbraw/zinc/38/29/49/208382949.db2.gz GPBUCULRRLJUSJ-GFCCVEGCSA-N -1 3 291.782 3.148 20 0 CGADHM Cc1nc(-c2noc(-c3ccc4c(c3[O-])CCCC4)n2)co1 ZINC000289381432 197320886 /nfs/dbraw/zinc/32/08/86/197320886.db2.gz KYSBIXSYIJNKCY-UHFFFAOYSA-N -1 3 297.314 3.284 20 0 CGADHM COC1(C)CCN(C(=O)c2cc([O-])c3ccccc3c2)CC1 ZINC000281632289 542384633 /nfs/dbraw/zinc/38/46/33/542384633.db2.gz QNWQZPSSBZRXPH-UHFFFAOYSA-N -1 3 299.370 3.187 20 0 CGADHM CC1(C)CCCN(Cc2c(F)ccc([O-])c2F)C1 ZINC000350472912 219026746 /nfs/dbraw/zinc/02/67/46/219026746.db2.gz DHHRYTGTWCTGDU-UHFFFAOYSA-N -1 3 255.308 3.292 20 0 CGADHM O=c1[nH]c([C@H]2CCCC(F)(F)C2)nc2ccc([O-])cc12 ZINC000287222167 542396055 /nfs/dbraw/zinc/39/60/55/542396055.db2.gz NKXSRZMEKHWSHE-QMMMGPOBSA-N -1 3 280.274 3.334 20 0 CGADHM O=C([O-])c1cccc(CN2CC3(C2)CCCCC3)c1 ZINC000093967907 304259569 /nfs/dbraw/zinc/25/95/69/304259569.db2.gz DTZKBJWUHRLEGY-UHFFFAOYSA-N -1 3 259.349 3.151 20 0 CGADHM COc1ccc(NC(=O)[C@@H]2CCCC(F)(F)C2)c([O-])c1 ZINC000334247074 542455529 /nfs/dbraw/zinc/45/55/29/542455529.db2.gz VFEDHZIBCVTOGJ-SECBINFHSA-N -1 3 285.290 3.165 20 0 CGADHM O=C(Nc1ccccc1[O-])[C@H]1CC[C@H](C(F)(F)F)C1 ZINC000334359214 542456232 /nfs/dbraw/zinc/45/62/32/542456232.db2.gz VOQQISXQXIWDAX-IUCAKERBSA-N -1 3 273.254 3.309 20 0 CGADHM Cc1ccc2c(c1)CC[C@@H](C(=O)Nc1c(C)cccc1[O-])O2 ZINC000281283180 195180852 /nfs/dbraw/zinc/18/08/52/195180852.db2.gz SCQJGPQMKDNECK-INIZCTEOSA-N -1 3 297.354 3.341 20 0 CGADHM CC1CCC(c2nc3ccc([O-])cc3c(=O)[nH]2)CC1 ZINC000351847712 542551956 /nfs/dbraw/zinc/55/19/56/542551956.db2.gz AYVLBUCLDLNGKR-UHFFFAOYSA-N -1 3 258.321 3.335 20 0 CGADHM COc1cc(-c2nc3ccc(O)cc3c(=O)[n-]2)ccc1C ZINC000351849794 542552161 /nfs/dbraw/zinc/55/21/61/542552161.db2.gz HMAVOWSRZBJEIZ-UHFFFAOYSA-N -1 3 282.299 3.025 20 0 CGADHM C[C@H](C[C@H]1CCCO1)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000353895084 542561310 /nfs/dbraw/zinc/56/13/10/542561310.db2.gz DFQGVGGXAJWHHK-IUODEOHRSA-N -1 3 299.370 3.233 20 0 CGADHM CC(C)[C@@H]1CN(C(=O)c2cc([O-])c3ccccc3c2)CCO1 ZINC000355687661 542568317 /nfs/dbraw/zinc/56/83/17/542568317.db2.gz GDMIROHSWZQHOG-KRWDZBQOSA-N -1 3 299.370 3.042 20 0 CGADHM C[C@@H](C(=O)NCc1ccc([O-])c(F)c1)c1cccc(F)c1 ZINC000174206924 533283462 /nfs/dbraw/zinc/28/34/62/533283462.db2.gz SBVKYMHEULUPKW-SNVBAGLBSA-N -1 3 291.297 3.090 20 0 CGADHM COc1ccc(C(=O)N2Cc3ccccc3[C@H]2C)c([O-])c1 ZINC000436591702 533317660 /nfs/dbraw/zinc/31/76/60/533317660.db2.gz XTAMQIRWEATMPO-LLVKDONJSA-N -1 3 283.327 3.118 20 0 CGADHM COc1cccc(C(=O)N[C@H](C)[C@@H](C)c2ccccc2)c1[O-] ZINC000436920154 533417723 /nfs/dbraw/zinc/41/77/23/533417723.db2.gz OBRCFWHTWFGNTM-CHWSQXEVSA-N -1 3 299.370 3.323 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)N2Cc3cccc(Cl)c3C2)n1 ZINC000287467394 291972191 /nfs/dbraw/zinc/97/21/91/291972191.db2.gz RPJIPNKMPJJETE-SNVBAGLBSA-N -1 3 289.766 3.221 20 0 CGADHM CSCCCS[C@@H](C)c1nc(C)cc(=O)[n-]1 ZINC000413012879 533574772 /nfs/dbraw/zinc/57/47/72/533574772.db2.gz XVINVOQIFMBGDU-VIFPVBQESA-N -1 3 258.412 3.038 20 0 CGADHM FC(F)(F)c1csc(=NCCCC2CC2)[n-]1 ZINC000381816247 542599387 /nfs/dbraw/zinc/59/93/87/542599387.db2.gz JMHOORWURAHZQC-UHFFFAOYSA-N -1 3 250.289 3.186 20 0 CGADHM COc1ccc(NC(=O)c2cc(CC(C)C)c[nH]2)c([O-])c1 ZINC000412275187 542631577 /nfs/dbraw/zinc/63/15/77/542631577.db2.gz JNBADQCOIGIRTB-UHFFFAOYSA-N -1 3 288.347 3.180 20 0 CGADHM CCN(Cc1ccccc1)C(=O)c1cc(OC)ccc1[O-] ZINC000051448977 392070204 /nfs/dbraw/zinc/07/02/04/392070204.db2.gz QMWGKQFFGFJBBH-UHFFFAOYSA-N -1 3 285.343 3.063 20 0 CGADHM Cc1cccc(C(=O)N2CCCc3cccc([O-])c32)c1 ZINC000063063767 392134963 /nfs/dbraw/zinc/13/49/63/392134963.db2.gz PREQPYVSCOLSLU-UHFFFAOYSA-N -1 3 267.328 3.294 20 0 CGADHM O=C([O-])c1cccc(CCNCc2ccccc2Cl)c1 ZINC000426670970 542649898 /nfs/dbraw/zinc/64/98/98/542649898.db2.gz JNVLUFUSTCEETJ-UHFFFAOYSA-N -1 3 289.762 3.371 20 0 CGADHM Cc1nc(C)c([C@H](C)N(C)C(=O)c2ccccc2[O-])s1 ZINC000106710982 392307800 /nfs/dbraw/zinc/30/78/00/392307800.db2.gz SQSFDYQWRRHINK-JTQLQIEISA-N -1 3 290.388 3.299 20 0 CGADHM COc1ccc(NC(=O)CCc2ccsc2)c([O-])c1 ZINC000442703342 542665687 /nfs/dbraw/zinc/66/56/87/542665687.db2.gz JOELOSDKKCYWBT-UHFFFAOYSA-N -1 3 277.345 3.034 20 0 CGADHM COc1ccc(NC(=O)c2c(C)noc2C(C)C)c([O-])c1 ZINC000442698930 542665696 /nfs/dbraw/zinc/66/56/96/542665696.db2.gz IWORLKVHJUWBHB-UHFFFAOYSA-N -1 3 290.319 3.073 20 0 CGADHM COc1ccc(NC(=O)[C@H]2CCC(C)(C)C2)c([O-])c1 ZINC000443559283 542666476 /nfs/dbraw/zinc/66/64/76/542666476.db2.gz MOUHFGSJCLYQSB-JTQLQIEISA-N -1 3 263.337 3.166 20 0 CGADHM CCC[C@@H](C(=O)Nc1ccc(OC)cc1[O-])C(C)C ZINC000443557867 542666505 /nfs/dbraw/zinc/66/65/05/542666505.db2.gz JCISYASJVSGQPV-GFCCVEGCSA-N -1 3 265.353 3.412 20 0 CGADHM c1coc(-c2cc(-c3nc(Cc4ccccc4)no3)n[n-]2)c1 ZINC000109493649 392359000 /nfs/dbraw/zinc/35/90/00/392359000.db2.gz VGIRSYKNTUCKEO-UHFFFAOYSA-N -1 3 292.298 3.311 20 0 CGADHM c1coc(-c2cc(-c3nc(Cc4ccccc4)no3)[n-]n2)c1 ZINC000109493649 392359004 /nfs/dbraw/zinc/35/90/04/392359004.db2.gz VGIRSYKNTUCKEO-UHFFFAOYSA-N -1 3 292.298 3.311 20 0 CGADHM O=C([O-])[C@@H]1CCCN([C@H]2CCc3c2cccc3Cl)C1 ZINC000263581423 131300205 /nfs/dbraw/zinc/30/02/05/131300205.db2.gz XDLRZLILCGYTHZ-YGRLFVJLSA-N -1 3 279.767 3.124 20 0 CGADHM COCCCO[N-]C(=O)Nc1ccccc1SC(C)C ZINC000287135456 392393620 /nfs/dbraw/zinc/39/36/20/392393620.db2.gz OWZGMWJVAIETPM-UHFFFAOYSA-N -1 3 298.408 3.277 20 0 CGADHM C[C@@H]([N-]C(=O)C(C)(F)F)c1ccccc1OC(F)F ZINC000288691932 392409859 /nfs/dbraw/zinc/40/98/59/392409859.db2.gz XYJHIAZLPSEVRC-SSDOTTSWSA-N -1 3 279.233 3.120 20 0 CGADHM Cc1ccccc1OCCNCc1c(F)ccc([O-])c1F ZINC000510071848 392781909 /nfs/dbraw/zinc/78/19/09/392781909.db2.gz KVKTVUDYTMRRLC-UHFFFAOYSA-N -1 3 293.313 3.147 20 0 CGADHM Cc1ccc(C(=O)N2CC[C@H](C)c3cccc([O-])c32)cn1 ZINC000186314496 392783222 /nfs/dbraw/zinc/78/32/22/392783222.db2.gz VKRRUUZUAULIGH-NSHDSACASA-N -1 3 282.343 3.250 20 0 CGADHM Cc1cc([C@@H]2CCCN2Cc2cc([O-])cc(F)c2)on1 ZINC000336067098 392831312 /nfs/dbraw/zinc/83/13/12/392831312.db2.gz AVTLAJFNDHFCSB-AWEZNQCLSA-N -1 3 276.311 3.165 20 0 CGADHM C[C@@H]1CCN([C@@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)C1 ZINC000519763331 392891987 /nfs/dbraw/zinc/89/19/87/392891987.db2.gz WFGBVFSCZMMRPV-PRHODGIISA-N -1 3 288.174 3.461 20 0 CGADHM O=c1[n-]c(-c2cccc(C(F)(F)F)c2)nc2cccnc21 ZINC000491614012 542718261 /nfs/dbraw/zinc/71/82/61/542718261.db2.gz XCFYHAADHBZCEI-UHFFFAOYSA-N -1 3 291.232 3.416 20 0 CGADHM COc1ccc([O-])c(C(=O)Nc2ccc3cc[nH]c3c2)c1 ZINC000194839940 392941213 /nfs/dbraw/zinc/94/12/13/392941213.db2.gz LGWNDVDTVOWUBF-UHFFFAOYSA-N -1 3 282.299 3.134 20 0 CGADHM Cc1ccc(-c2nc3cc(Cl)ccc3c(=O)[n-]2)cn1 ZINC000340092064 392963798 /nfs/dbraw/zinc/96/37/98/392963798.db2.gz AFPADFKASNPZET-UHFFFAOYSA-N -1 3 271.707 3.359 20 0 CGADHM CCC1CCC(N(C)C(=O)c2ccc(O)cc2[O-])CC1 ZINC000220995604 393004923 /nfs/dbraw/zinc/00/49/23/393004923.db2.gz ZRAFCIALVMACQC-UHFFFAOYSA-N -1 3 277.364 3.139 20 0 CGADHM CC(C)SCCNC(=O)c1cc([O-])c2ccccc2c1 ZINC000345517283 393058025 /nfs/dbraw/zinc/05/80/25/393058025.db2.gz NMQZQLZOJDVGLF-UHFFFAOYSA-N -1 3 289.400 3.417 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2ccc(C(F)F)cc2)n1 ZINC000345924343 393072445 /nfs/dbraw/zinc/07/24/45/393072445.db2.gz IMQZQFFCARBJQQ-UHFFFAOYSA-N -1 3 278.258 3.286 20 0 CGADHM CC(C)c1noc([N-]Cc2coc(-c3ccccc3)n2)n1 ZINC000266287794 393178499 /nfs/dbraw/zinc/17/84/99/393178499.db2.gz VZMONVYCCMNMSG-UHFFFAOYSA-N -1 3 284.319 3.460 20 0 CGADHM Cc1cccc(C(=O)N2CCC[C@@H](c3ccccn3)C2)c1[O-] ZINC000646439434 393287957 /nfs/dbraw/zinc/28/79/57/393287957.db2.gz FCOGPZDPOGUUJZ-CQSZACIVSA-N -1 3 296.370 3.115 20 0 CGADHM CCCCc1ccc(NC(=O)NCc2ncccc2[O-])cc1 ZINC000471128461 393275008 /nfs/dbraw/zinc/27/50/08/393275008.db2.gz YYBMQQWKDHIECK-UHFFFAOYSA-N -1 3 299.374 3.452 20 0 CGADHM CSc1cc(F)ccc1[N-]S(=O)(=O)CCCCF ZINC000647137670 393345308 /nfs/dbraw/zinc/34/53/08/393345308.db2.gz CICYFQZDGMLZIT-UHFFFAOYSA-N -1 3 295.376 3.039 20 0 CGADHM CCc1cc(=O)[n-]c(CSC[C@@H](CC(C)C)OC)n1 ZINC000419429800 393377980 /nfs/dbraw/zinc/37/79/80/393377980.db2.gz CPLZLCYMOBZPIG-GFCCVEGCSA-N -1 3 284.425 3.039 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@@H]1CCC[C@H](C)C1 ZINC000649231472 393379634 /nfs/dbraw/zinc/37/96/34/393379634.db2.gz XDNLRYGOJANCQQ-CMPLNLGQSA-N -1 3 263.385 3.028 20 0 CGADHM CCc1cc(N2CC[C@H](C(=O)[O-])[C@H](C)C2)c2ccccc2n1 ZINC000649404601 393412901 /nfs/dbraw/zinc/41/29/01/393412901.db2.gz PEZLKSQGPFFVOE-OCCSQVGLSA-N -1 3 298.386 3.344 20 0 CGADHM CC(C)(C)OC1CC(CC(=O)Nc2ccccc2[O-])C1 ZINC000488568718 393540200 /nfs/dbraw/zinc/54/02/00/393540200.db2.gz RZKPPBVFAKMXGW-UHFFFAOYSA-N -1 3 277.364 3.315 20 0 CGADHM Cc1cc(C(=O)N2CCc3cccc(C)c3C2)ccc1[O-] ZINC000430339177 393562894 /nfs/dbraw/zinc/56/28/94/393562894.db2.gz CPDRPKFSRNDCJX-UHFFFAOYSA-N -1 3 281.355 3.208 20 0 CGADHM O=C(NCCCCF)c1cc([O-])c2ccccc2c1 ZINC000360817059 393593569 /nfs/dbraw/zinc/59/35/69/393593569.db2.gz LNUSJSLSIBWNGW-UHFFFAOYSA-N -1 3 261.296 3.025 20 0 CGADHM CC[C@@H]1C[C@H](CC(=O)Nc2ccc([O-])cc2F)CCO1 ZINC000360853930 393598765 /nfs/dbraw/zinc/59/87/65/393598765.db2.gz SNQIEFGVNOWTND-ZYHUDNBSSA-N -1 3 281.327 3.065 20 0 CGADHM CC(C)(C)c1ccc(NC(=O)[C@@H]2CC23CC3)c([O-])c1 ZINC000421875707 393637031 /nfs/dbraw/zinc/63/70/31/393637031.db2.gz HIPBAZNTKUCOIJ-NSHDSACASA-N -1 3 259.349 3.428 20 0 CGADHM C[C@@H](CCNC(=O)c1ccc2n[n-]nc2c1)CC(C)(C)C ZINC000443396969 393755732 /nfs/dbraw/zinc/75/57/32/393755732.db2.gz YJBLWOCUSWCJJO-NSHDSACASA-N -1 3 288.395 3.150 20 0 CGADHM O=C(/C=C\c1ccsc1)Nc1cc(F)ccc1[O-] ZINC000492304031 393717000 /nfs/dbraw/zinc/71/70/00/393717000.db2.gz LJAONOOGBQXUHP-RJRFIUFISA-N -1 3 263.293 3.245 20 0 CGADHM Cc1cc(C(=O)Nc2cc(Cl)ccc2[O-])ccc1O ZINC000498529989 393782766 /nfs/dbraw/zinc/78/27/66/393782766.db2.gz QKCVWTWJJGZZCT-UHFFFAOYSA-N -1 3 277.707 3.312 20 0 CGADHM Cc1ccc(-c2nc(-c3ccoc3)no2)c([O-])c1C ZINC000445455196 393795098 /nfs/dbraw/zinc/79/50/98/393795098.db2.gz JLUBAOIRESLJHA-UHFFFAOYSA-N -1 3 256.261 3.319 20 0 CGADHM C[C@H](CCC1CCCCC1)[N-]S(=O)(=O)c1ccco1 ZINC000445709692 393818756 /nfs/dbraw/zinc/81/87/56/393818756.db2.gz NXTLUPBQMQYJPE-GFCCVEGCSA-N -1 3 285.409 3.307 20 0 CGADHM Cc1cc(C(=O)N[C@@H]2[C@H]3CCc4ccccc4[C@@H]23)ccc1[O-] ZINC000500296103 393823526 /nfs/dbraw/zinc/82/35/26/393823526.db2.gz INKUEAXKHKZRMD-CGTJXYLNSA-N -1 3 293.366 3.159 20 0 CGADHM CO[C@H]1C[C@@H](N(C)Cc2c(F)ccc([O-])c2F)C12CCC2 ZINC000449629182 393927768 /nfs/dbraw/zinc/92/77/68/393927768.db2.gz FBRWUBCMUZDLDS-KGLIPLIRSA-N -1 3 297.345 3.060 20 0 CGADHM CC(C)=CCC[C@@H](C)NC(=O)c1c[n-]nc1-c1ccccn1 ZINC000452541588 394081993 /nfs/dbraw/zinc/08/19/93/394081993.db2.gz LZYVBLBYPIWDLE-CYBMUJFWSA-N -1 3 298.390 3.336 20 0 CGADHM O=C(NCCC1CC(F)(F)C1)c1cc([O-])ccc1Cl ZINC000457180888 394325994 /nfs/dbraw/zinc/32/59/94/394325994.db2.gz JKRHSRHPIJWCKC-UHFFFAOYSA-N -1 3 289.709 3.211 20 0 CGADHM CSc1ccc([O-])c(C(=O)N2CCCC2(C)C)c1 ZINC000668170163 542980751 /nfs/dbraw/zinc/98/07/51/542980751.db2.gz FSHOEEANXAPSDB-UHFFFAOYSA-N -1 3 265.378 3.129 20 0 CGADHM Cc1ccc(C(=O)N[C@H]2CCCC(F)(F)C2)c([O-])c1C ZINC000436602501 292076769 /nfs/dbraw/zinc/07/67/69/292076769.db2.gz KFBXVHCWSNLAHZ-NSHDSACASA-N -1 3 283.318 3.317 20 0 CGADHM CCc1n[nH]cc1C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000669746821 543124205 /nfs/dbraw/zinc/12/42/05/543124205.db2.gz DFSNWRZBFYIJOQ-UHFFFAOYSA-N -1 3 287.363 3.228 20 0 CGADHM Cc1cc2ccc(C(=O)NCc3ccc([O-])c(F)c3)cn2c1 ZINC000670419469 543153841 /nfs/dbraw/zinc/15/38/41/543153841.db2.gz DKZIYRVUUUPAFY-UHFFFAOYSA-N -1 3 298.317 3.022 20 0 CGADHM O=C([N-]c1csc(-c2ccccc2)n1)c1cocn1 ZINC000672333752 543209448 /nfs/dbraw/zinc/20/94/48/543209448.db2.gz IDQMRZOFILBCJD-UHFFFAOYSA-N -1 3 271.301 3.050 20 0 CGADHM COC1CCC(C(=O)Nc2cc(Cl)cc(C)c2[O-])CC1 ZINC000672911897 543230702 /nfs/dbraw/zinc/23/07/02/543230702.db2.gz XDESQFJDMJISFB-UHFFFAOYSA-N -1 3 297.782 3.498 20 0 CGADHM CSc1ccncc1[N-]C(=O)c1ccc(Cl)o1 ZINC000674258237 543278462 /nfs/dbraw/zinc/27/84/62/543278462.db2.gz HKSRHVUUISBQLR-UHFFFAOYSA-N -1 3 268.725 3.302 20 0 CGADHM COc1cc(C(=O)NC(C)(C)c2cccs2)ccc1[O-] ZINC000442670625 397703485 /nfs/dbraw/zinc/70/34/85/397703485.db2.gz FRHLBYMXRVOTIS-UHFFFAOYSA-N -1 3 291.372 3.127 20 0 CGADHM CC(C)Oc1ccccc1CN1CCCC[C@H]1CC(=O)[O-] ZINC000650505441 397859495 /nfs/dbraw/zinc/85/94/95/397859495.db2.gz DITYTIRTUCNQBJ-HNNXBMFYSA-N -1 3 291.391 3.303 20 0 CGADHM COc1cccc(C(=O)N2CC(C)(C)c3ccccc32)c1[O-] ZINC000675114617 543315579 /nfs/dbraw/zinc/31/55/79/543315579.db2.gz BCQXSYPOEOSRKR-UHFFFAOYSA-N -1 3 297.354 3.339 20 0 CGADHM CC(C)Cn1ccnc1C[N-]c1nc(-c2ccccc2)no1 ZINC000676351709 543394184 /nfs/dbraw/zinc/39/41/84/543394184.db2.gz QEEYOCZKBDCZLU-UHFFFAOYSA-N -1 3 297.362 3.201 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CCC(c3cccnc3)CC2)c1 ZINC000678168814 543490700 /nfs/dbraw/zinc/49/07/00/543490700.db2.gz MROHZKHCNKJHTO-UHFFFAOYSA-N -1 3 296.370 3.115 20 0 CGADHM Cc1ccc(Cc2nc(C(=O)[N-]c3cnoc3)cs2)cc1 ZINC000678200472 543492777 /nfs/dbraw/zinc/49/27/77/543492777.db2.gz YGKGGACYSMBLHS-UHFFFAOYSA-N -1 3 299.355 3.283 20 0 CGADHM Cc1ccc(SCCC(=O)[N-]C2=NCCS2)cc1C ZINC000044997999 292189346 /nfs/dbraw/zinc/18/93/46/292189346.db2.gz IKQOURAQPJXXKQ-UHFFFAOYSA-N -1 3 294.445 3.005 20 0 CGADHM Cc1cccc(C(=O)N2CCC3(CCC3)CC2)c1[O-] ZINC000308734216 292414535 /nfs/dbraw/zinc/41/45/35/292414535.db2.gz XCQZTMOZBQGWIQ-UHFFFAOYSA-N -1 3 259.349 3.107 20 0 CGADHM COc1cccc(C(=O)NCCC2CCCCC2)c1[O-] ZINC000037500446 286885792 /nfs/dbraw/zinc/88/57/92/286885792.db2.gz HVXWTCBBOBGZPO-UHFFFAOYSA-N -1 3 277.364 3.101 20 0 CGADHM Cc1cccc(CN(C)C(=O)c2ccc(C)cc2[O-])c1 ZINC000042355245 286893914 /nfs/dbraw/zinc/89/39/14/286893914.db2.gz XRMGVFQSMMDMSY-UHFFFAOYSA-N -1 3 269.344 3.281 20 0 CGADHM CCOc1cccc(NC(=O)c2cc(C)ccc2[O-])c1 ZINC000048442480 286905364 /nfs/dbraw/zinc/90/53/64/286905364.db2.gz TZBNFDIELBASEU-UHFFFAOYSA-N -1 3 271.316 3.352 20 0 CGADHM CC1([N-]S(=O)(=O)c2cccc(Cl)c2F)CCCC1 ZINC000049078678 286917134 /nfs/dbraw/zinc/91/71/34/286917134.db2.gz BJOBPGFVTACOMR-UHFFFAOYSA-N -1 3 291.775 3.090 20 0 CGADHM Cc1ccc(C(=O)NC[C@H]2CC=CCC2)c([O-])c1C ZINC000049295639 286921929 /nfs/dbraw/zinc/92/19/29/286921929.db2.gz LBSQVWAODUNSQJ-ZDUSSCGKSA-N -1 3 259.349 3.095 20 0 CGADHM CCOc1ccccc1NC(=O)c1cc(OC)ccc1[O-] ZINC000050107496 286930692 /nfs/dbraw/zinc/93/06/92/286930692.db2.gz FDYZNWKMWNEEKS-UHFFFAOYSA-N -1 3 287.315 3.052 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2cc(F)c(F)c(F)c2)c1 ZINC000061120405 286957497 /nfs/dbraw/zinc/95/74/97/286957497.db2.gz UEESTRAOWUGXMG-UHFFFAOYSA-N -1 3 281.233 3.370 20 0 CGADHM Cc1ccc(C(=O)[N-]c2c(F)cc(F)cc2F)o1 ZINC000072526352 286995744 /nfs/dbraw/zinc/99/57/44/286995744.db2.gz RLJRZWDZZTWKPB-UHFFFAOYSA-N -1 3 255.195 3.258 20 0 CGADHM CCc1cccc(S(=O)(=O)[N-]c2ccc(C)cc2F)c1 ZINC000080923945 287068819 /nfs/dbraw/zinc/06/88/19/287068819.db2.gz AUYCKPMNYKIVHS-UHFFFAOYSA-N -1 3 293.363 3.497 20 0 CGADHM Cc1cccc(OCCC(=O)Nc2ccc([O-])cc2F)c1 ZINC000070333226 165059367 /nfs/dbraw/zinc/05/93/67/165059367.db2.gz AFHIYXLKLTURKZ-UHFFFAOYSA-N -1 3 289.306 3.247 20 0 CGADHM O=C([O-])[C@@H](NCc1cccc2[nH]ccc21)c1ccccc1 ZINC000080354654 165155083 /nfs/dbraw/zinc/15/50/83/165155083.db2.gz WHZASONWYOSNCZ-INIZCTEOSA-N -1 3 280.327 3.083 20 0 CGADHM O=C(Nc1ccccc1[O-])C1(c2ccccc2)CCC1 ZINC000081932628 165168868 /nfs/dbraw/zinc/16/88/68/165168868.db2.gz SGTHLPADOOFGSF-UHFFFAOYSA-N -1 3 267.328 3.453 20 0 CGADHM Cc1ccccc1CC(=O)Nc1ccc([O-])cc1F ZINC000085203678 165179103 /nfs/dbraw/zinc/17/91/03/165179103.db2.gz LBMNAIFXCMCQTE-UHFFFAOYSA-N -1 3 259.280 3.021 20 0 CGADHM CCOc1ccc(NCc2nc(C)ccc2[O-])c(C)c1 ZINC000091994767 165277143 /nfs/dbraw/zinc/27/71/43/165277143.db2.gz FDVSABPPBLUXIX-UHFFFAOYSA-N -1 3 272.348 3.415 20 0 CGADHM Cc1ccc([O-])c(CNc2cccc(-c3cnco3)c2)n1 ZINC000091994721 165278473 /nfs/dbraw/zinc/27/84/73/165278473.db2.gz LFEJVIZMZFQVBM-UHFFFAOYSA-N -1 3 281.315 3.363 20 0 CGADHM CCN(Cc1nc(C)ccc1[O-])Cc1c(F)cccc1F ZINC000092935670 165317785 /nfs/dbraw/zinc/31/77/85/165317785.db2.gz WUZKZJHGPVMXLR-UHFFFAOYSA-N -1 3 292.329 3.396 20 0 CGADHM Cc1cccnc1[C@@H](NC(=O)c1ccccc1[O-])C(C)C ZINC000115113030 287152988 /nfs/dbraw/zinc/15/29/88/287152988.db2.gz CBEUEDCVSDUQSK-HNNXBMFYSA-N -1 3 284.359 3.223 20 0 CGADHM Cn1ncc(Cl)c1/C=C/c1ccc2cccc([O-])c2n1 ZINC000122638005 287211355 /nfs/dbraw/zinc/21/13/55/287211355.db2.gz NKHCYZZHBMNPDH-BQYQJAHWSA-N -1 3 285.734 3.498 20 0 CGADHM CCc1ccc(CN[C@@H](CC(=O)[O-])CC(C)(C)C)o1 ZINC000284297125 196023422 /nfs/dbraw/zinc/02/34/22/196023422.db2.gz RKIRTTSYXMNDIK-NSHDSACASA-N -1 3 267.369 3.211 20 0 CGADHM COc1ccc2nc(C(=O)Nc3ccccc3[O-])ccc2c1 ZINC000125715210 287249466 /nfs/dbraw/zinc/24/94/66/287249466.db2.gz WLUGAYDVYJKWBR-UHFFFAOYSA-N -1 3 294.310 3.201 20 0 CGADHM Cc1oc(C(C)C)nc1C(=O)[N-]c1nnc(C(C)C)s1 ZINC000284975643 196169537 /nfs/dbraw/zinc/16/95/37/196169537.db2.gz AEVCUOQBDYJHSR-UHFFFAOYSA-N -1 3 294.380 3.334 20 0 CGADHM Cc1cc(Cl)ccc1C(=O)NCc1ccc([O-])c(F)c1 ZINC000127140571 287281918 /nfs/dbraw/zinc/28/19/18/287281918.db2.gz NFIIEPCLSFUIAT-UHFFFAOYSA-N -1 3 293.725 3.423 20 0 CGADHM O=C([O-])CC[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000043585422 175071066 /nfs/dbraw/zinc/07/10/66/175071066.db2.gz HKAUBPOVZWPXRO-GFCCVEGCSA-N -1 3 281.783 3.417 20 0 CGADHM CCC(CC)SCc1ccc(F)cc1-c1nnn[n-]1 ZINC000736352698 572784738 /nfs/dbraw/zinc/78/47/38/572784738.db2.gz XVHPWMYROGXALO-UHFFFAOYSA-N -1 3 280.372 3.428 20 0 CGADHM CCC(CC)SCc1ccc(F)cc1-c1nn[n-]n1 ZINC000736352698 572784742 /nfs/dbraw/zinc/78/47/42/572784742.db2.gz XVHPWMYROGXALO-UHFFFAOYSA-N -1 3 280.372 3.428 20 0 CGADHM C[C@@H](NC(=O)c1c[n-]c2ccccc2c1=O)C1CCCCC1 ZINC000128069518 287302982 /nfs/dbraw/zinc/30/29/82/287302982.db2.gz ILSYUHACJSSACW-GFCCVEGCSA-N -1 3 298.386 3.227 20 0 CGADHM O=C(/C=C/c1nc2ccccc2o1)Nc1cccc([O-])c1F ZINC000128477334 287311816 /nfs/dbraw/zinc/31/18/16/287311816.db2.gz FTKHTKRGEWSYAT-CMDGGOBGSA-N -1 3 298.273 3.324 20 0 CGADHM O=C(Nc1cccc([O-])c1F)c1cc(-c2ccccc2)[nH]n1 ZINC000129249090 287327616 /nfs/dbraw/zinc/32/76/16/287327616.db2.gz WJLDOVWCENACNA-UHFFFAOYSA-N -1 3 297.289 3.174 20 0 CGADHM Cc1ccc(F)c([N-]S(=O)(=O)c2ccc(C)c(F)c2)c1 ZINC000048653272 416455504 /nfs/dbraw/zinc/45/55/04/416455504.db2.gz PAWTVURYHQVYPS-UHFFFAOYSA-N -1 3 297.326 3.382 20 0 CGADHM CC(C)O[C@@H]1CCCN(Cc2cccc([O-])c2Cl)C1 ZINC000404573737 416555490 /nfs/dbraw/zinc/55/54/90/416555490.db2.gz JNLSDVJJCSZBHZ-CYBMUJFWSA-N -1 3 283.799 3.435 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N(C)CCC2CCCCC2)n1 ZINC000521347731 260083181 /nfs/dbraw/zinc/08/31/81/260083181.db2.gz FQVMPAXVWVNTPQ-ZDUSSCGKSA-N -1 3 277.412 3.454 20 0 CGADHM COc1cccc([C@H](C)C(=O)Nc2cccc([O-])c2F)c1 ZINC000129716589 287337935 /nfs/dbraw/zinc/33/79/35/287337935.db2.gz YALORICKSWLIDQ-JTQLQIEISA-N -1 3 289.306 3.282 20 0 CGADHM CCS[C@H](C(=O)Nc1cccc([O-])c1F)C(C)C ZINC000129735236 287338036 /nfs/dbraw/zinc/33/80/36/287338036.db2.gz ZKVAAJMMVKCPCC-LBPRGKRZSA-N -1 3 271.357 3.248 20 0 CGADHM C[C@@]1(c2ccc(F)cc2)CCN(C(=O)c2cccc([O-])c2)C1 ZINC000366836381 224804859 /nfs/dbraw/zinc/80/48/59/224804859.db2.gz XSJOFVBWZRBCAQ-GOSISDBHSA-N -1 3 299.345 3.335 20 0 CGADHM Cc1ccc(CN(C(=O)c2ccc([O-])c(C)c2)C2CC2)o1 ZINC000679407770 543636419 /nfs/dbraw/zinc/63/64/19/543636419.db2.gz SLZLHKHFDAAUSK-UHFFFAOYSA-N -1 3 285.343 3.407 20 0 CGADHM Cc1cc(C(=O)NC2(C)CCC(F)(F)CC2)ccc1[O-] ZINC000680238114 543693852 /nfs/dbraw/zinc/69/38/52/543693852.db2.gz SCBGDTFQWGFCOQ-UHFFFAOYSA-N -1 3 283.318 3.398 20 0 CGADHM O=C(Nc1ccccc1[O-])C1(Cc2ccccc2F)CC1 ZINC000190897665 225118212 /nfs/dbraw/zinc/11/82/12/225118212.db2.gz PUFNODYWZMRBOS-UHFFFAOYSA-N -1 3 285.318 3.493 20 0 CGADHM C[C@H]1CCN(C(=O)CCn2cccc2)c2c([O-])cccc21 ZINC000681088693 543763946 /nfs/dbraw/zinc/76/39/46/543763946.db2.gz IOKYDAZVYUCFND-ZDUSSCGKSA-N -1 3 284.359 3.124 20 0 CGADHM CSc1cccc(C)c1[N-]C(=O)c1nccs1 ZINC000683633244 543930888 /nfs/dbraw/zinc/93/08/88/543930888.db2.gz QSBQSSDPQUDOPK-UHFFFAOYSA-N -1 3 264.375 3.426 20 0 CGADHM COc1ccc2[nH]c(NC(=O)c3ccc(C)cc3[O-])cc2c1 ZINC000683906576 543953604 /nfs/dbraw/zinc/95/36/04/543953604.db2.gz AFAAPCWWIOCCLA-UHFFFAOYSA-N -1 3 296.326 3.443 20 0 CGADHM c1c2ccccc2[nH]c1C[N-]c1nnc([C@H]2CCCO2)o1 ZINC000683922874 543953648 /nfs/dbraw/zinc/95/36/48/543953648.db2.gz NQKVRVJDPBVEOA-CYBMUJFWSA-N -1 3 284.319 3.015 20 0 CGADHM CCc1ccc([O-])c(C(=O)N(C)Cc2ccc(OC)cc2)c1 ZINC000132294092 287400971 /nfs/dbraw/zinc/40/09/71/287400971.db2.gz PSLFSZOBBUQWTL-UHFFFAOYSA-N -1 3 299.370 3.235 20 0 CGADHM C[C@@H]1CC[C@@H](NC(=O)c2c[n-]nc2-c2ccccn2)C[C@@H]1C ZINC000685825566 544099485 /nfs/dbraw/zinc/09/94/85/544099485.db2.gz IIUCPUPAHNQQFQ-FRRDWIJNSA-N -1 3 298.390 3.026 20 0 CGADHM COc1ccc([O-])c(C(=O)N2C[C@@H](C)CCC[C@@H]2C)c1 ZINC000134178206 287437285 /nfs/dbraw/zinc/43/72/85/287437285.db2.gz KAEVIUPECAJDCX-RYUDHWBXSA-N -1 3 277.364 3.052 20 0 CGADHM CCc1cc(C)c(C(=O)[N-]c2nnc(C(F)F)s2)o1 ZINC000135213881 287463832 /nfs/dbraw/zinc/46/38/32/287463832.db2.gz HAIAQDXODYQJID-UHFFFAOYSA-N -1 3 287.291 3.192 20 0 CGADHM CC(C)C[C@@H]1CCCCN1Cc1cc(C(=O)[O-])co1 ZINC000652425611 418967230 /nfs/dbraw/zinc/96/72/30/418967230.db2.gz AUIBGHNMDDPCDW-ZDUSSCGKSA-N -1 3 265.353 3.378 20 0 CGADHM CC(C)CC[C@@H]1CCCN1Cc1nc(C(=O)[O-])cs1 ZINC000652436873 418968829 /nfs/dbraw/zinc/96/88/29/418968829.db2.gz HXKSGVQQENIYIS-NSHDSACASA-N -1 3 282.409 3.242 20 0 CGADHM O=C([O-])[C@@H]1CN(CCc2ccccc2F)Cc2ccccc21 ZINC000652469963 418973781 /nfs/dbraw/zinc/97/37/81/418973781.db2.gz JUURQXSWHXUPRU-MRXNPFEDSA-N -1 3 299.345 3.052 20 0 CGADHM Cc1cc([C@H](C)N2CCC[C@@H](C)C2)oc1C(=O)[O-] ZINC000652366661 418958563 /nfs/dbraw/zinc/95/85/63/418958563.db2.gz HBGHMXBPVWWVNZ-KOLCDFICSA-N -1 3 251.326 3.079 20 0 CGADHM CCCc1nc(C)c(CN2CCCC[C@@H]2CCC(=O)[O-])o1 ZINC000652496542 418976952 /nfs/dbraw/zinc/97/69/52/418976952.db2.gz ZNXKUWLQWPKFTH-CYBMUJFWSA-N -1 3 294.395 3.155 20 0 CGADHM O=C(c1ccc2c(c1[O-])CCCC2)N1CCC12CCCC2 ZINC000652571221 418981106 /nfs/dbraw/zinc/98/11/06/418981106.db2.gz MNPTXFJLYOCJBM-UHFFFAOYSA-N -1 3 285.387 3.430 20 0 CGADHM CN(Cc1cc(C(=O)[O-])co1)C[C@H]1CCc2ccccc21 ZINC000659803676 418995995 /nfs/dbraw/zinc/99/59/95/418995995.db2.gz MERQOQWXKHULAH-CYBMUJFWSA-N -1 3 285.343 3.140 20 0 CGADHM O=C([O-])c1csc(CN2CCCC[C@@H]2CC2CCC2)n1 ZINC000659804171 418997480 /nfs/dbraw/zinc/99/74/80/418997480.db2.gz UYXXIAXQKOMZAZ-GFCCVEGCSA-N -1 3 294.420 3.386 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N2CC(C)(C)[C@H]2c2cccnc2)n1 ZINC000664820516 419010551 /nfs/dbraw/zinc/01/05/51/419010551.db2.gz ABFMRIHWIKMGBZ-SWLSCSKDSA-N -1 3 298.390 3.030 20 0 CGADHM CCCC(C)(C)C(=O)N=c1[nH][n-]c(C(C)C)c1C ZINC000653035917 419013105 /nfs/dbraw/zinc/01/31/05/419013105.db2.gz IKVAGKPULSBHTB-UHFFFAOYSA-N -1 3 251.374 3.028 20 0 CGADHM [O-]c1cccc(CN[C@H](C2CC2)[C@@H]2CCCCO2)c1Cl ZINC000655811357 419103175 /nfs/dbraw/zinc/10/31/75/419103175.db2.gz HEVPITUDFAPDRI-GOEBONIOSA-N -1 3 295.810 3.483 20 0 CGADHM Cc1ccc(F)c(CN(CC(=O)[O-])CC(C)(C)C)c1 ZINC000665350430 419115275 /nfs/dbraw/zinc/11/52/75/419115275.db2.gz RVLRTXXVAVBWCF-UHFFFAOYSA-N -1 3 267.344 3.067 20 0 CGADHM CC(C)(C)c1ccc(-c2cncc(-c3nnn[n-]3)c2)cc1 ZINC000665149103 419065640 /nfs/dbraw/zinc/06/56/40/419065640.db2.gz HZDAWYOTWOXGQB-UHFFFAOYSA-N -1 3 279.347 3.226 20 0 CGADHM CC(C)(C)c1ccc(-c2cncc(-c3nn[n-]n3)c2)cc1 ZINC000665149103 419065644 /nfs/dbraw/zinc/06/56/44/419065644.db2.gz HZDAWYOTWOXGQB-UHFFFAOYSA-N -1 3 279.347 3.226 20 0 CGADHM CC(C)C[C@@H](C)OCCC(=O)Nc1cc(F)ccc1[O-] ZINC000151341665 287511753 /nfs/dbraw/zinc/51/17/53/287511753.db2.gz KEGOQGGAEWMOTM-LLVKDONJSA-N -1 3 283.343 3.311 20 0 CGADHM CCCCN(CC)C(=O)c1cc(SC)ccc1[O-] ZINC000665168808 419070493 /nfs/dbraw/zinc/07/04/93/419070493.db2.gz HNBCSYAUZYZJQU-UHFFFAOYSA-N -1 3 267.394 3.376 20 0 CGADHM CCc1cc(C(=O)N2CC[C@H](C3CCC3)C2)ccc1[O-] ZINC000666075075 419186702 /nfs/dbraw/zinc/18/67/02/419186702.db2.gz CDIQFTBPITUKTR-HNNXBMFYSA-N -1 3 273.376 3.217 20 0 CGADHM CSc1c(F)cccc1[N-]S(=O)(=O)CCCCF ZINC000656632633 419188095 /nfs/dbraw/zinc/18/80/95/419188095.db2.gz HPCLUEXVFUDGTQ-UHFFFAOYSA-N -1 3 295.376 3.039 20 0 CGADHM CCCS(=O)(=O)[N-]c1cc(C)ccc1C(F)(F)F ZINC000656741601 419206655 /nfs/dbraw/zinc/20/66/55/419206655.db2.gz JXJIWSAYBMNVFO-UHFFFAOYSA-N -1 3 281.299 3.166 20 0 CGADHM O=C([O-])c1ccc(CN2CCC(c3ccco3)CC2)s1 ZINC000656758059 419211471 /nfs/dbraw/zinc/21/14/71/419211471.db2.gz UIFNAKMNOGWUAQ-UHFFFAOYSA-N -1 3 291.372 3.419 20 0 CGADHM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCC[C@H](CCF)C1 ZINC000656762996 419212259 /nfs/dbraw/zinc/21/22/59/419212259.db2.gz JNULTKWUSKHXAZ-WDEREUQCSA-N -1 3 269.316 3.110 20 0 CGADHM O=C([O-])c1cc(CN2CCC[C@H](CCF)C2)cs1 ZINC000656762929 419212385 /nfs/dbraw/zinc/21/23/85/419212385.db2.gz HXFGOAGWBMIKHV-SNVBAGLBSA-N -1 3 271.357 3.018 20 0 CGADHM Cc1ccc2c(c1)[C@@H](NCc1nc(C)ccc1[O-])[C@H](C)C2 ZINC000657697963 419329325 /nfs/dbraw/zinc/32/93/25/419329325.db2.gz YBZRMSNSSAMJHJ-XIKOKIGWSA-N -1 3 282.387 3.427 20 0 CGADHM CCc1nnsc1C(=O)[N-]c1c(C)cccc1SC ZINC000184634056 287548839 /nfs/dbraw/zinc/54/88/39/287548839.db2.gz UWFUYLHWDLNXFN-UHFFFAOYSA-N -1 3 293.417 3.383 20 0 CGADHM CCN(Cc1c(Cl)ccc2cccnc21)[C@H](C)C(=O)[O-] ZINC000662214168 419363279 /nfs/dbraw/zinc/36/32/79/419363279.db2.gz CWTIMEHDRCNRFY-SNVBAGLBSA-N -1 3 292.766 3.183 20 0 CGADHM Cc1ccc2cc(C[N-]c3nc(C4CC4)no3)[nH]c2c1 ZINC000663257208 419532394 /nfs/dbraw/zinc/53/23/94/419532394.db2.gz NSDYVLADISLXIT-UHFFFAOYSA-N -1 3 268.320 3.349 20 0 CGADHM Cc1ccc2nccc(N3C[C@@H](C(=O)[O-])CC[C@@H]3C)c2c1 ZINC000662893278 419504576 /nfs/dbraw/zinc/50/45/76/419504576.db2.gz JXNSDAHPVVFZGW-STQMWFEESA-N -1 3 284.359 3.233 20 0 CGADHM FC(F)c1nnc([N-]Cc2c[nH]nc2-c2ccccc2)o1 ZINC000189282285 287568595 /nfs/dbraw/zinc/56/85/95/287568595.db2.gz FTKKXAQUAWCBKE-UHFFFAOYSA-N -1 3 291.261 3.009 20 0 CGADHM CC1(C)C[C@H]([N-]c2nc(-c3cccc(Cl)c3)no2)CO1 ZINC000664144045 419842763 /nfs/dbraw/zinc/84/27/63/419842763.db2.gz GGDBRZPJVQGXAY-NSHDSACASA-N -1 3 293.754 3.369 20 0 CGADHM CC[C@@H]1CC[C@@H](C)N(C(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000664192973 419857751 /nfs/dbraw/zinc/85/77/51/419857751.db2.gz NQAVJBKMPIVCMP-VXGBXAGGSA-N -1 3 294.370 3.251 20 0 CGADHM CCC1(CNC(=O)c2ccc([O-])c(C)c2)CCCC1 ZINC000227040003 287636880 /nfs/dbraw/zinc/63/68/80/287636880.db2.gz LSJGXQWGOSCBTP-UHFFFAOYSA-N -1 3 261.365 3.401 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CCC(C(C)C)CC2)c1 ZINC000525770968 262167005 /nfs/dbraw/zinc/16/70/05/262167005.db2.gz ZQOFBIVEYLLTKW-UHFFFAOYSA-N -1 3 275.392 3.463 20 0 CGADHM COc1cc(C)c(NC(=O)c2cccc(C)c2[O-])cc1F ZINC000186048895 262311312 /nfs/dbraw/zinc/31/13/12/262311312.db2.gz RHCURCFBMLAHMA-UHFFFAOYSA-N -1 3 289.306 3.409 20 0 CGADHM Cc1cccc(C(=O)N2CCc3ccccc3[C@H]2C)c1[O-] ZINC000106683969 270049301 /nfs/dbraw/zinc/04/93/01/270049301.db2.gz JNGZQTGBKJRKEF-CYBMUJFWSA-N -1 3 281.355 3.460 20 0 CGADHM COc1cccc([C@H]2C[C@@H]2C(=O)Nc2ccc(C)cc2[O-])c1 ZINC000106902304 270049394 /nfs/dbraw/zinc/04/93/94/270049394.db2.gz YFAVFZMRMRNZEB-CABCVRRESA-N -1 3 297.354 3.451 20 0 CGADHM Cc1cccc(C(=O)N(CCC(C)C)C2CC2)c1[O-] ZINC000107202792 270049641 /nfs/dbraw/zinc/04/96/41/270049641.db2.gz IUIARDHXJQZYOW-UHFFFAOYSA-N -1 3 261.365 3.351 20 0 CGADHM C[C@H]1CCC[C@H](C(=O)N2CCCc3cccc([O-])c32)C1 ZINC000182908892 270054452 /nfs/dbraw/zinc/05/44/52/270054452.db2.gz KIXPJFAMRIQXFE-JSGCOSHPSA-N -1 3 273.376 3.498 20 0 CGADHM C[C@H]1CC[C@H](CC(=O)N2CCCc3cccc([O-])c32)C1 ZINC000182918877 270054585 /nfs/dbraw/zinc/05/45/85/270054585.db2.gz VDSJRJXYGIHEGZ-STQMWFEESA-N -1 3 273.376 3.498 20 0 CGADHM CC[C@@H]([N-]S(=O)(=O)c1cc(F)cc(F)c1)C(C)(C)C ZINC000519254149 265375808 /nfs/dbraw/zinc/37/58/08/265375808.db2.gz IYLSQXFYSBOCOQ-GFCCVEGCSA-N -1 3 291.363 3.068 20 0 CGADHM CCOc1ccccc1CNCc1cc([O-])cc(F)c1 ZINC000185486675 270062985 /nfs/dbraw/zinc/06/29/85/270062985.db2.gz FUQFLIBDGZDCQN-UHFFFAOYSA-N -1 3 275.323 3.220 20 0 CGADHM CCc1ccccc1S(=O)(=O)[N-]c1cc(F)ccc1F ZINC000187169865 270068046 /nfs/dbraw/zinc/06/80/46/270068046.db2.gz AXEYNWICVGTAHA-UHFFFAOYSA-N -1 3 297.326 3.328 20 0 CGADHM CC(C)(C)CC(C)(C)NC(=O)c1ccc(O)cc1[O-] ZINC000220348721 270085976 /nfs/dbraw/zinc/08/59/76/270085976.db2.gz GIXZHTZIFKAOHV-UHFFFAOYSA-N -1 3 265.353 3.042 20 0 CGADHM CC[C@@H](NC(=O)c1cccc2nn[n-]c21)c1ccc(C)cc1 ZINC000526112945 270123104 /nfs/dbraw/zinc/12/31/04/270123104.db2.gz MOLGEKMTEXCOKT-CQSZACIVSA-N -1 3 294.358 3.147 20 0 CGADHM CC[C@@H](NC(=O)c1cccc2[n-]nnc21)c1ccc(C)cc1 ZINC000526112945 270123105 /nfs/dbraw/zinc/12/31/05/270123105.db2.gz MOLGEKMTEXCOKT-CQSZACIVSA-N -1 3 294.358 3.147 20 0 CGADHM CC[C@@H](NC(=O)c1cccc2n[n-]nc21)c1ccc(C)cc1 ZINC000526112945 270123106 /nfs/dbraw/zinc/12/31/06/270123106.db2.gz MOLGEKMTEXCOKT-CQSZACIVSA-N -1 3 294.358 3.147 20 0 CGADHM CCC[C@@H](OCC)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000528903072 270175536 /nfs/dbraw/zinc/17/55/36/270175536.db2.gz NPVBRCRBJWPTSI-GFCCVEGCSA-N -1 3 271.744 3.189 20 0 CGADHM O=C(Nc1cccc(C2CCCCC2)c1)c1nc[n-]n1 ZINC000529649053 270187029 /nfs/dbraw/zinc/18/70/29/270187029.db2.gz KYISYYXJOULCFJ-UHFFFAOYSA-N -1 3 270.336 3.105 20 0 CGADHM CCCOc1cncc(NCc2c(F)ccc([O-])c2F)c1 ZINC000529653633 270187377 /nfs/dbraw/zinc/18/73/77/270187377.db2.gz SLCJJRUCJIZODI-UHFFFAOYSA-N -1 3 294.301 3.466 20 0 CGADHM Cc1ccc(C(=O)N[C@@H]2C[C@H]2c2ccsc2)c([O-])c1 ZINC000530000872 270192672 /nfs/dbraw/zinc/19/26/72/270192672.db2.gz LMDUJKGIFYXSPB-QWHCGFSZSA-N -1 3 273.357 3.048 20 0 CGADHM C[C@H](CN(C)C(=O)Cc1cncc([O-])c1)C1CCCCC1 ZINC000530035801 270193432 /nfs/dbraw/zinc/19/34/32/270193432.db2.gz AXELMHCHYPFTNR-CYBMUJFWSA-N -1 3 290.407 3.005 20 0 CGADHM O=C([O-])[C@H]1c2ccoc2CCN1CCC1CCCCC1 ZINC000530166415 270195473 /nfs/dbraw/zinc/19/54/73/270195473.db2.gz MMIQZDWYAAVQMG-OAHLLOKOSA-N -1 3 277.364 3.234 20 0 CGADHM Cn1ccc2c1cccc2C(=O)Nc1cc(F)ccc1[O-] ZINC000531135175 270204321 /nfs/dbraw/zinc/20/43/21/270204321.db2.gz MXKATOGPAKVACP-UHFFFAOYSA-N -1 3 284.290 3.275 20 0 CGADHM CC(C)(C)C(=O)Nc1cc(Br)ccc1[O-] ZINC000176436894 277130966 /nfs/dbraw/zinc/13/09/66/277130966.db2.gz FCFIJNAHURVMCC-UHFFFAOYSA-N -1 3 272.142 3.139 20 0 CGADHM C[C@@H]1CCc2sc(C(=O)Nc3ncccc3[O-])cc2C1 ZINC000045574530 277809520 /nfs/dbraw/zinc/80/95/20/277809520.db2.gz QOHYUVXDKJOIEA-SECBINFHSA-N -1 3 288.372 3.226 20 0 CGADHM CC(C)(C)CCN=c1[n-]c(C(F)(F)F)cs1 ZINC000393750541 288000889 /nfs/dbraw/zinc/00/08/89/288000889.db2.gz CABFCHCYCIIUDY-UHFFFAOYSA-N -1 3 252.305 3.432 20 0 CGADHM CC1(C)CN(C(=O)c2cccc([O-])c2)[C@@H]2CCC[C@H]21 ZINC000294557754 278324566 /nfs/dbraw/zinc/32/45/66/278324566.db2.gz DLYDCRZMNCSBPJ-ZIAGYGMSSA-N -1 3 259.349 3.043 20 0 CGADHM C[C@H]1Cc2ccccc2[C@H]1NCc1cccc(C(=O)[O-])c1 ZINC000414640853 288059549 /nfs/dbraw/zinc/05/95/49/288059549.db2.gz SGKQKZQRSBPQPU-SJCJKPOMSA-N -1 3 281.355 3.408 20 0 CGADHM CC(C)(C)CCCNC(=O)c1c[n-]nc1-c1ccccn1 ZINC000520669460 288135114 /nfs/dbraw/zinc/13/51/14/288135114.db2.gz RCCRTTPNVZJUBU-UHFFFAOYSA-N -1 3 286.379 3.028 20 0 CGADHM C[C@H]1CCN(C(=O)c2cnn(C3CC3)c2)c2c([O-])cccc21 ZINC000529056513 288231032 /nfs/dbraw/zinc/23/10/32/288231032.db2.gz OLXIRCASUGZNFV-NSHDSACASA-N -1 3 297.358 3.078 20 0 CGADHM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)Nc1c([O-])cccc1Cl ZINC000529422453 288245221 /nfs/dbraw/zinc/24/52/21/288245221.db2.gz BNKSWNFSRSEGPM-APOZVJGGSA-N -1 3 283.755 3.044 20 0 CGADHM O=C([N-]OCCC1CC1)[C@H]1[C@@H]2c3cccc(Cl)c3C[C@H]12 ZINC000529427260 288246624 /nfs/dbraw/zinc/24/66/24/288246624.db2.gz RFNYZJLDIYGSAZ-NWANDNLSSA-N -1 3 291.778 3.074 20 0 CGADHM C[C@@H]1CC(F)(F)CCN1Cc1cccc(C(=O)[O-])c1 ZINC000530173489 288293093 /nfs/dbraw/zinc/29/30/93/288293093.db2.gz PPWPYXUFTZQHSC-SNVBAGLBSA-N -1 3 269.291 3.004 20 0 CGADHM CC[C@H]1C[C@H](C)CN1C(=O)c1c[n-]c2c(C)cccc2c1=O ZINC000408348780 281234437 /nfs/dbraw/zinc/23/44/37/281234437.db2.gz KGXMEQVSTQIEEY-AAEUAGOBSA-N -1 3 298.386 3.097 20 0 CGADHM CCc1cccc(C(=O)N2CC[C@H](CC(C)C)C2)c1[O-] ZINC000530957808 288320762 /nfs/dbraw/zinc/32/07/62/288320762.db2.gz RBHMYIIHIXIKSB-CYBMUJFWSA-N -1 3 275.392 3.463 20 0 CGADHM CCc1ccc(C(=O)N2C[C@H](C)[C@H](C)[C@@H]2C)c([O-])c1 ZINC000416325570 281399781 /nfs/dbraw/zinc/39/97/81/281399781.db2.gz SSYSBUJNPCIADN-SRVKXCTJSA-N -1 3 261.365 3.071 20 0 CGADHM CCc1ccc([O-])c(C(=O)N[C@@H](C)Cc2ccc(O)cc2)c1 ZINC000532900841 288373236 /nfs/dbraw/zinc/37/32/36/288373236.db2.gz QMKDNBPXAUOSTM-LBPRGKRZSA-N -1 3 299.370 3.021 20 0 CGADHM CCc1cccc(C(=O)N2CC[C@H](C)C[C@@H](C)C2)c1[O-] ZINC000533571049 288387932 /nfs/dbraw/zinc/38/79/32/288387932.db2.gz HXXDECCTTCIOSI-QWHCGFSZSA-N -1 3 275.392 3.463 20 0 CGADHM Cc1cccc([O-])c1NC(=O)CO[C@@H]1CCC[C@@H](C)C1 ZINC000538950838 288595696 /nfs/dbraw/zinc/59/56/96/288595696.db2.gz AAJAZMBXOWDSAO-DGCLKSJQSA-N -1 3 277.364 3.234 20 0 CGADHM CCc1cccc(C(=O)Nc2nc3c(s2)CCC3)c1[O-] ZINC000539852814 288635680 /nfs/dbraw/zinc/63/56/80/288635680.db2.gz UBHUMOTVURGEKD-UHFFFAOYSA-N -1 3 288.372 3.152 20 0 CGADHM Cc1cc(C(=O)NCc2ccc([C@@H]3C[C@H]3C)o2)ccc1[O-] ZINC000540926527 288677492 /nfs/dbraw/zinc/67/74/92/288677492.db2.gz PYSCHAMMPFPJSV-QMTHXVAHSA-N -1 3 285.343 3.347 20 0 CGADHM COc1ccnc2c(NC(=O)c3cccc([O-])c3)cccc12 ZINC000540960893 288679591 /nfs/dbraw/zinc/67/95/91/288679591.db2.gz LDUBJYSRFXKJES-UHFFFAOYSA-N -1 3 294.310 3.201 20 0 CGADHM CCSc1ccccc1C(=O)Nc1nc(C)ccc1[O-] ZINC000541534311 288705328 /nfs/dbraw/zinc/70/53/28/288705328.db2.gz XUODLCMBYRAZTO-UHFFFAOYSA-N -1 3 288.372 3.460 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)[C@H](C)CC(C)C)c1-c1ccccc1 ZINC000545203675 288881200 /nfs/dbraw/zinc/88/12/00/288881200.db2.gz YJWYQLSIAKOFCE-GFCCVEGCSA-N -1 3 285.391 3.428 20 0 CGADHM CC(C)SCC(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000546660474 288934623 /nfs/dbraw/zinc/93/46/23/288934623.db2.gz YANITQMGBNWPFL-LLVKDONJSA-N -1 3 279.405 3.374 20 0 CGADHM CC(C)SCC(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000546660475 288934627 /nfs/dbraw/zinc/93/46/27/288934627.db2.gz YANITQMGBNWPFL-NSHDSACASA-N -1 3 279.405 3.374 20 0 CGADHM Cc1ccc([C@H](NC(=O)c2csc(=O)[n-]2)C2CC2)cc1 ZINC000546723478 288937516 /nfs/dbraw/zinc/93/75/16/288937516.db2.gz UNSLWPROPYMDGG-ZDUSSCGKSA-N -1 3 288.372 3.038 20 0 CGADHM Cc1ncsc1C(=O)Nc1c([O-])cccc1Cl ZINC000552434730 289188849 /nfs/dbraw/zinc/18/88/49/289188849.db2.gz XXUYYBGTEJVAQJ-UHFFFAOYSA-N -1 3 268.725 3.063 20 0 CGADHM CC(C)(C)OC(=O)CCC(=O)Nc1c([O-])cccc1Cl ZINC000552433719 289188945 /nfs/dbraw/zinc/18/89/45/289188945.db2.gz YKLKROWGIJZVIV-UHFFFAOYSA-N -1 3 299.754 3.106 20 0 CGADHM CCc1cc(C(=O)N[C@H]2CCC[C@H](SC)C2)ccc1[O-] ZINC000553129240 289209911 /nfs/dbraw/zinc/20/99/11/289209911.db2.gz UJCNCQDXEUKFEO-KBPBESRZSA-N -1 3 293.432 3.359 20 0 CGADHM CC(C)CCN(CCC(C)C)C(=O)Cc1cncc([O-])c1 ZINC000553146499 289210270 /nfs/dbraw/zinc/21/02/70/289210270.db2.gz QYKIVSCKWFXOER-UHFFFAOYSA-N -1 3 292.423 3.251 20 0 CGADHM Cc1csc([C@H]2CCCCN2Cc2ncccc2[O-])n1 ZINC000554855040 289314170 /nfs/dbraw/zinc/31/41/70/289314170.db2.gz HYDGFHBBIMUTEO-CYBMUJFWSA-N -1 3 289.404 3.279 20 0 CGADHM CC(C)CO[C@H](C)c1nc(-c2ccc([O-])cc2)no1 ZINC000561661605 289647607 /nfs/dbraw/zinc/64/76/07/289647607.db2.gz KGJWFHDGZNSIHU-SNVBAGLBSA-N -1 3 262.309 3.176 20 0 CGADHM Cc1cscc1C(=O)N1CCCc2cccc([O-])c21 ZINC000094248080 293083593 /nfs/dbraw/zinc/08/35/93/293083593.db2.gz AALJZEKJLOUZEH-UHFFFAOYSA-N -1 3 273.357 3.355 20 0 CGADHM COc1ccc(F)c(CN[C@@H](C)CCC[C@H](C)C(=O)[O-])c1 ZINC000417530022 295148233 /nfs/dbraw/zinc/14/82/33/295148233.db2.gz HFZVUACASLHMIO-RYUDHWBXSA-N -1 3 297.370 3.203 20 0 CGADHM Cc1cc(N2C[C@@H](C)C[C@H](C(=O)[O-])C2)c2ccccc2n1 ZINC000263266726 301343276 /nfs/dbraw/zinc/34/32/76/301343276.db2.gz VMXSALUIOYGHCC-AAEUAGOBSA-N -1 3 284.359 3.090 20 0 CGADHM Cc1cccc(C(=O)N2CCCN(C)c3ccccc32)c1[O-] ZINC000172430147 301945647 /nfs/dbraw/zinc/94/56/47/301945647.db2.gz HFKRIIMKDBJZGO-UHFFFAOYSA-N -1 3 296.370 3.187 20 0 CGADHM Cc1cccc2c(=O)c(C(=O)N3CC(C)(C)C[C@@H]3C)c[n-]c12 ZINC000332038781 302051927 /nfs/dbraw/zinc/05/19/27/302051927.db2.gz WOBYKPRISOQNGS-LBPRGKRZSA-N -1 3 298.386 3.097 20 0 CGADHM CCc1noc(C)c1[N-]C(=O)c1ccoc1Br ZINC000193753383 328075945 /nfs/dbraw/zinc/07/59/45/328075945.db2.gz BRFRWBKTZHAAFA-UHFFFAOYSA-N -1 3 299.124 3.153 20 0 CGADHM O=C(/C=C/C1CCCCC1)NCc1ccc([O-])c(F)c1 ZINC000156295904 321778230 /nfs/dbraw/zinc/77/82/30/321778230.db2.gz SFOOZZFFGMRWPZ-VQHVLOKHSA-N -1 3 277.339 3.284 20 0 CGADHM Cc1cc([C@@H](C)N2CCCO[C@H](C(C)C)C2)oc1C(=O)[O-] ZINC000563822451 322011673 /nfs/dbraw/zinc/01/16/73/322011673.db2.gz SDPXUYPKSVWENT-OCCSQVGLSA-N -1 3 295.379 3.094 20 0 CGADHM Cc1cc([C@H](C)N2CCCO[C@@H](C(C)C)C2)oc1C(=O)[O-] ZINC000563822449 322011680 /nfs/dbraw/zinc/01/16/80/322011680.db2.gz SDPXUYPKSVWENT-GXTWGEPZSA-N -1 3 295.379 3.094 20 0 CGADHM Cc1occc1-c1nnc(SCc2ncccc2[O-])o1 ZINC000564701353 322039465 /nfs/dbraw/zinc/03/94/65/322039465.db2.gz OPQDNWDGOOZIJB-UHFFFAOYSA-N -1 3 289.316 3.031 20 0 CGADHM CCCN(C)[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC000565101406 322059844 /nfs/dbraw/zinc/05/98/44/322059844.db2.gz ITLUAFZCHCVXDI-LLVKDONJSA-N -1 3 276.163 3.461 20 0 CGADHM O=C([O-])c1ccc(OCCN2CCCCCC2)c(Cl)c1 ZINC000565103075 322059871 /nfs/dbraw/zinc/05/98/71/322059871.db2.gz IBROGGDGZIYOBZ-UHFFFAOYSA-N -1 3 297.782 3.293 20 0 CGADHM C[C@@H](CN(C)Cc1ccc(C(=O)[O-])o1)c1ccccc1 ZINC000565103933 322060373 /nfs/dbraw/zinc/06/03/73/322060373.db2.gz LNENZTAPNGSRMH-LBPRGKRZSA-N -1 3 273.332 3.213 20 0 CGADHM Cc1ccccc1C[C@@H](C)N(C)Cc1ccc(C(=O)[O-])cn1 ZINC000565365801 322074876 /nfs/dbraw/zinc/07/48/76/322074876.db2.gz HSEMCMGFOMNDMO-CQSZACIVSA-N -1 3 298.386 3.151 20 0 CGADHM CC1(C)CCN(Cc2c(Cl)cccc2C(=O)[O-])C1 ZINC000565721706 322088679 /nfs/dbraw/zinc/08/86/79/322088679.db2.gz STWJJGZSZFWZIX-UHFFFAOYSA-N -1 3 267.756 3.270 20 0 CGADHM CC[C@@H]1CCN(Cc2c(Cl)cccc2C(=O)[O-])C1 ZINC000566361121 322118436 /nfs/dbraw/zinc/11/84/36/322118436.db2.gz GIALMOPDCNXUDI-SNVBAGLBSA-N -1 3 267.756 3.270 20 0 CGADHM CC[C@@H](NCc1ccc(Oc2ccccc2)o1)C(=O)[O-] ZINC000567110561 322150736 /nfs/dbraw/zinc/15/07/36/322150736.db2.gz LNYUHLKEXHXEDQ-CYBMUJFWSA-N -1 3 275.304 3.025 20 0 CGADHM C[C@H](c1ccc(C(=O)[O-])o1)N(C)C[C@H](C)c1nccs1 ZINC000567117046 322151221 /nfs/dbraw/zinc/15/12/21/322151221.db2.gz UXJPJBSEOOFTRZ-VHSXEESVSA-N -1 3 294.376 3.231 20 0 CGADHM C[C@@H](CN(C)[C@@H](C)c1ccc(C(=O)[O-])o1)c1nccs1 ZINC000567117045 322151229 /nfs/dbraw/zinc/15/12/29/322151229.db2.gz UXJPJBSEOOFTRZ-UWVGGRQHSA-N -1 3 294.376 3.231 20 0 CGADHM Cc1cc(CN2CC[C@@]3(CC[C@H](C)C3)C2)oc1C(=O)[O-] ZINC000567620178 322170906 /nfs/dbraw/zinc/17/09/06/322170906.db2.gz STJXCJOYWHCKNS-MEDUHNTESA-N -1 3 277.364 3.298 20 0 CGADHM C[C@@H]1C[C@H](C)CN1Cc1ccc(C(=O)[O-])c(Cl)c1 ZINC000568066823 322191455 /nfs/dbraw/zinc/19/14/55/322191455.db2.gz DBRSPZKCSXFWKN-VHSXEESVSA-N -1 3 267.756 3.269 20 0 CGADHM C[C@@H]1CCCCN1Cc1cc(C(=O)[O-])ccc1Cl ZINC000568772077 322222140 /nfs/dbraw/zinc/22/21/40/322222140.db2.gz KVTSFALHGALBMQ-SNVBAGLBSA-N -1 3 267.756 3.413 20 0 CGADHM CCc1cccc(-c2nc(Cc3cncs3)no2)c1[O-] ZINC000569660644 322253103 /nfs/dbraw/zinc/25/31/03/322253103.db2.gz QVQYWEJUMOKSSS-UHFFFAOYSA-N -1 3 287.344 3.052 20 0 CGADHM COc1ccc(CN2CCC[C@@H](CC(=O)[O-])C2)c(Cl)c1 ZINC000569673094 322253902 /nfs/dbraw/zinc/25/39/02/322253902.db2.gz UYXISXAIROZCOA-NSHDSACASA-N -1 3 297.782 3.035 20 0 CGADHM C[C@@H]1CN(CCCCCC(=O)[O-])[C@H](c2ccccc2)CO1 ZINC000570099954 322264853 /nfs/dbraw/zinc/26/48/53/322264853.db2.gz DQHRLSKFACXUMD-ZBFHGGJFSA-N -1 3 291.391 3.093 20 0 CGADHM CCc1cc(C(=O)NCC(C2CC2)C2CC2)ccc1[O-] ZINC000570500290 322275132 /nfs/dbraw/zinc/27/51/32/322275132.db2.gz MPMSEPVPHZCHQE-UHFFFAOYSA-N -1 3 273.376 3.121 20 0 CGADHM Cc1oc(CN2CC3(CCC3)C[C@@H]2C)cc1C(=O)[O-] ZINC000570576631 322276975 /nfs/dbraw/zinc/27/69/75/322276975.db2.gz JBVLSDYUVNIVBT-JTQLQIEISA-N -1 3 263.337 3.051 20 0 CGADHM CCc1cc(N2CC[C@H](C(=O)[O-])[C@H]2C)c2ccccc2n1 ZINC000570725214 322280771 /nfs/dbraw/zinc/28/07/71/322280771.db2.gz PNKGSAZHLHDMLV-YPMHNXCESA-N -1 3 284.359 3.097 20 0 CGADHM Cc1cccnc1C(=O)Nc1c([O-])cccc1Cl ZINC000571451932 322299263 /nfs/dbraw/zinc/29/92/63/322299263.db2.gz QOXBJCOPIDLKDN-UHFFFAOYSA-N -1 3 262.696 3.001 20 0 CGADHM CC(C)CN(Cc1ccccc1)C(=O)Cc1cncc([O-])c1 ZINC000572302295 322330707 /nfs/dbraw/zinc/33/07/07/322330707.db2.gz ANBTZVUWYKRDHB-UHFFFAOYSA-N -1 3 298.386 3.015 20 0 CGADHM O=C([C@@H]1C[C@H]1C1CCC1)N1CCCc2cccc([O-])c21 ZINC000572846962 322358030 /nfs/dbraw/zinc/35/80/30/322358030.db2.gz NGKLRYNYAITGMX-UONOGXRCSA-N -1 3 271.360 3.108 20 0 CGADHM CN(Cc1ncccc1[O-])[C@H]1CCCC[C@H]1C(F)(F)F ZINC000573653832 322399148 /nfs/dbraw/zinc/39/91/48/322399148.db2.gz PNOVMLVFEYPSMH-PWSUYJOCSA-N -1 3 288.313 3.340 20 0 CGADHM C[C@@H]1C[C@H]1c1noc(-c2ccc3c(c2[O-])CCCC3)n1 ZINC000573737385 322403869 /nfs/dbraw/zinc/40/38/69/322403869.db2.gz NKIVSEBGVXPZDF-NOZJJQNGSA-N -1 3 270.332 3.444 20 0 CGADHM CC(C)(CC(=O)[O-])NCc1csc(Cl)c1Cl ZINC000574701028 322453071 /nfs/dbraw/zinc/45/30/71/322453071.db2.gz OGRNWESTFUUBJG-UHFFFAOYSA-N -1 3 282.192 3.398 20 0 CGADHM O=S(=O)([N-]C1(CF)CCC1)c1csc2ccccc21 ZINC000577218136 327095420 /nfs/dbraw/zinc/09/54/20/327095420.db2.gz MMWCBTTXIRZICD-UHFFFAOYSA-N -1 3 299.392 3.072 20 0 CGADHM C[C@H]1CCCN1Cc1oc(-c2ccccc2)nc1C(=O)[O-] ZINC000583386818 327337711 /nfs/dbraw/zinc/33/77/11/327337711.db2.gz NDHBYKJBGIVJJU-NSHDSACASA-N -1 3 286.331 3.024 20 0 CGADHM Cc1cc(CN2CCS[C@@H]3CCCC[C@@H]32)oc1C(=O)[O-] ZINC000582670965 329122633 /nfs/dbraw/zinc/12/26/33/329122633.db2.gz DCFWGROZOUXSCI-QWHCGFSZSA-N -1 3 295.404 3.146 20 0 CGADHM CCCN(Cc1cc(C(=O)[O-])c(C)o1)C[C@@H]1CCCCO1 ZINC000582671796 329122906 /nfs/dbraw/zinc/12/29/06/329122906.db2.gz VUNOAXFJIRBMGZ-ZDUSSCGKSA-N -1 3 295.379 3.067 20 0 CGADHM Cc1oc(CN2CCCC[C@@H]2C(C)C)cc1C(=O)[O-] ZINC000395878250 329301733 /nfs/dbraw/zinc/30/17/33/329301733.db2.gz HPHMKSCRYQMWFO-CQSZACIVSA-N -1 3 265.353 3.297 20 0 CGADHM C[C@@H]1C[C@@H]1CC(=O)Nc1cc(Br)ccc1[O-] ZINC000354894549 533712041 /nfs/dbraw/zinc/71/20/41/533712041.db2.gz FXBPZVZWCUQKAW-HTQZYQBOSA-N -1 3 284.153 3.139 20 0 CGADHM O=C(COC/C=C\c1ccccc1)Nc1ccccc1[O-] ZINC000340104920 335151658 /nfs/dbraw/zinc/15/16/58/335151658.db2.gz YDMWIPGXYOWZRE-TWGQIWQCSA-N -1 3 283.327 3.061 20 0 CGADHM CS[C@@H]1CCCCN(Cc2cc(C(=O)[O-])c(C)o2)C1 ZINC000576114098 335156562 /nfs/dbraw/zinc/15/65/62/335156562.db2.gz LANHYDQVQKUBBK-GFCCVEGCSA-N -1 3 283.393 3.004 20 0 CGADHM CC(C)CCO[C@@H]1CCCC[C@H]1NCc1ncccc1[O-] ZINC000576147989 335160517 /nfs/dbraw/zinc/16/05/17/335160517.db2.gz WVZMLIBRIDVJRY-RHSMWYFYSA-N -1 3 292.423 3.251 20 0 CGADHM [O-]c1cccnc1CN1CCC[C@H]1c1cccs1 ZINC000576194020 335167367 /nfs/dbraw/zinc/16/73/67/335167367.db2.gz PJUPAHQXFANJBY-LBPRGKRZSA-N -1 3 260.362 3.186 20 0 CGADHM CCOc1ccc(CC(=O)Nc2cc(F)ccc2[O-])cc1 ZINC000174872204 335167986 /nfs/dbraw/zinc/16/79/86/335167986.db2.gz LOLOQBXXJLWHGS-UHFFFAOYSA-N -1 3 289.306 3.111 20 0 CGADHM Cc1ccc(F)c(C(=O)Nc2cc(F)ccc2[O-])c1 ZINC000174873272 335168133 /nfs/dbraw/zinc/16/81/33/335168133.db2.gz KVKHVHJIGSIKDY-UHFFFAOYSA-N -1 3 263.243 3.231 20 0 CGADHM Cc1cccc(OCC(=O)Nc2ccc(Cl)cc2[O-])c1 ZINC000153621070 334674936 /nfs/dbraw/zinc/67/49/36/334674936.db2.gz GVRAACUHHYATMK-UHFFFAOYSA-N -1 3 291.734 3.372 20 0 CGADHM Cc1cccc2c(=O)c(C(=O)N(C)C3CC(C)(C)C3)c[n-]c12 ZINC000576683284 335234202 /nfs/dbraw/zinc/23/42/02/335234202.db2.gz VWFRXFJNXIWDEZ-UHFFFAOYSA-N -1 3 298.386 3.097 20 0 CGADHM O=C(Nc1cc(Br)ccc1[O-])c1ccoc1 ZINC000176438509 335278761 /nfs/dbraw/zinc/27/87/61/335278761.db2.gz SYGCBIPEJPZCDM-UHFFFAOYSA-N -1 3 282.093 3.000 20 0 CGADHM CCc1cccc(C(=O)N2C[C@H](C)[C@@H](C)[C@@H]2C)c1[O-] ZINC000577483564 335357038 /nfs/dbraw/zinc/35/70/38/335357038.db2.gz HMPYJCCDLJLSIC-TUAOUCFPSA-N -1 3 261.365 3.071 20 0 CGADHM C[C@H](C(=O)Nc1ncccc1[O-])c1cc2ccccc2o1 ZINC000178084898 335412842 /nfs/dbraw/zinc/41/28/42/335412842.db2.gz NKYHZKHJPDSEFC-JTQLQIEISA-N -1 3 282.299 3.276 20 0 CGADHM Cc1cccc([N-]S(=O)(=O)c2ccc(F)cc2C)c1F ZINC000180019787 335541434 /nfs/dbraw/zinc/54/14/34/335541434.db2.gz HMOBFDFQZSOAOI-UHFFFAOYSA-N -1 3 297.326 3.382 20 0 CGADHM [O-]c1ccc(-c2noc(CC3(O)CCC3)n2)c2ccccc12 ZINC000351150508 335575268 /nfs/dbraw/zinc/57/52/68/335575268.db2.gz KIMAPIOWTPQLMT-UHFFFAOYSA-N -1 3 296.326 3.053 20 0 CGADHM CCC[C@@H](CC)S(=O)(=O)[N-]c1cscc1C ZINC000578364969 335620732 /nfs/dbraw/zinc/62/07/32/335620732.db2.gz PGRBLHQTOMQTKD-SNVBAGLBSA-N -1 3 261.412 3.377 20 0 CGADHM O=C(Nc1ccc2c(c1)C(=O)CCC2)c1cccc([O-])c1 ZINC000182566185 335827171 /nfs/dbraw/zinc/82/71/71/335827171.db2.gz FGHGXNPCUCAKCB-UHFFFAOYSA-N -1 3 281.311 3.164 20 0 CGADHM O=C(Cc1ccsc1)Nc1c([O-])cccc1Cl ZINC000581208556 336024841 /nfs/dbraw/zinc/02/48/41/336024841.db2.gz NZWHZJLGQZNNEK-UHFFFAOYSA-N -1 3 267.737 3.288 20 0 CGADHM Cc1cccnc1CN(Cc1ccccc1)C[C@@H](C)C(=O)[O-] ZINC000581255482 336032888 /nfs/dbraw/zinc/03/28/88/336032888.db2.gz AIGSNVGCUSFDFA-OAHLLOKOSA-N -1 3 298.386 3.113 20 0 CGADHM COCCN(Cc1cccc(C(=O)[O-])c1Cl)CC(C)C ZINC000381736528 336072187 /nfs/dbraw/zinc/07/21/87/336072187.db2.gz TZNBPORSVIEDAJ-UHFFFAOYSA-N -1 3 299.798 3.143 20 0 CGADHM C[C@@H]1C[C@H](C)N(Cc2cccc(C(=O)[O-])c2Cl)C1 ZINC000381976474 336079209 /nfs/dbraw/zinc/07/92/09/336079209.db2.gz WDMFSDRTEWYGEP-ZJUUUORDSA-N -1 3 267.756 3.269 20 0 CGADHM O=C([O-])[C@@H](c1ccccc1)N1CC=C(C(F)(F)F)CC1 ZINC000382500370 336091694 /nfs/dbraw/zinc/09/16/94/336091694.db2.gz OZABIMWYXOBYMM-GFCCVEGCSA-N -1 3 285.265 3.007 20 0 CGADHM CC(C)C[C@@H](C(=O)[O-])N1CCc2cc(Cl)ccc2C1 ZINC000581890058 336160750 /nfs/dbraw/zinc/16/07/50/336160750.db2.gz YSAOYTTXIGVDES-AWEZNQCLSA-N -1 3 281.783 3.197 20 0 CGADHM CCc1oc(C(=O)[O-])cc1CN1C[C@H](C)CC[C@@H]1C ZINC000581949189 336175053 /nfs/dbraw/zinc/17/50/53/336175053.db2.gz SAFLSHKOLRDKLR-MNOVXSKESA-N -1 3 265.353 3.161 20 0 CGADHM C[C@H](CCC(=O)[O-])CNCc1ccc(F)cc1Cl ZINC000426654184 533796032 /nfs/dbraw/zinc/79/60/32/533796032.db2.gz IYNJFCKUBMTTSG-SECBINFHSA-N -1 3 273.735 3.070 20 0 CGADHM Cc1c(NC(=O)c2ccc([O-])c(C)c2)cnn1CC(C)C ZINC000436934736 533917164 /nfs/dbraw/zinc/91/71/64/533917164.db2.gz MGRBWAPTAZDIMQ-UHFFFAOYSA-N -1 3 287.363 3.114 20 0 CGADHM Cc1ccc(NC(=O)c2ccccc2[O-])c(CN(C)C)c1 ZINC000155931943 534192486 /nfs/dbraw/zinc/19/24/86/534192486.db2.gz QFOXMIUYWIEVEB-UHFFFAOYSA-N -1 3 284.359 3.015 20 0 CGADHM Cc1ccc2c(CSC[C@H](C)CO)ccc([O-])c2n1 ZINC000427798811 534393746 /nfs/dbraw/zinc/39/37/46/534393746.db2.gz DAGZLLDEQACGNA-SNVBAGLBSA-N -1 3 277.389 3.110 20 0 CGADHM O=C([O-])[C@@H](NCc1cccc(Cl)c1)c1cccs1 ZINC000426780306 534515847 /nfs/dbraw/zinc/51/58/47/534515847.db2.gz QJAMDVJXFOSKLK-LBPRGKRZSA-N -1 3 281.764 3.317 20 0 CGADHM Cc1cccc(C(=O)NCCc2cc3ccccc3[nH]2)c1[O-] ZINC000436602026 534605128 /nfs/dbraw/zinc/60/51/28/534605128.db2.gz JIECDZUTQBLBTK-UHFFFAOYSA-N -1 3 294.354 3.154 20 0 CGADHM CO[C@@H](C)CCC(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000184138302 523382965 /nfs/dbraw/zinc/38/29/65/523382965.db2.gz ZYUYOEDHCYYVPE-VIFPVBQESA-N -1 3 271.744 3.108 20 0 CGADHM O=C(c1ccccc1[O-])N1CCC[C@H](c2ccccc2)C1 ZINC000436846959 534749977 /nfs/dbraw/zinc/74/99/77/534749977.db2.gz CXUHOSNVXMQSEI-HNNXBMFYSA-N -1 3 281.355 3.412 20 0 CGADHM Cc1cccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2C)c1[O-] ZINC000055482088 524162272 /nfs/dbraw/zinc/16/22/72/524162272.db2.gz DSNKEARZTYUDJW-SMDDNHRTSA-N -1 3 261.365 3.351 20 0 CGADHM O=C(NCC1(Cc2ccc(F)cc2)CC1)c1cccc([O-])c1 ZINC000357495435 534809427 /nfs/dbraw/zinc/80/94/27/534809427.db2.gz WWDAZWVLWMPQIE-UHFFFAOYSA-N -1 3 299.345 3.284 20 0 CGADHM Cc1ccc(C(=O)N2C[C@H](C)C[C@H](C)C2)c([O-])c1C ZINC000048383780 526140374 /nfs/dbraw/zinc/14/03/74/526140374.db2.gz LXWATXWYWFVEOY-PHIMTYICSA-N -1 3 261.365 3.127 20 0 CGADHM CC(C)(C)[C@H]1CCC[C@H]1NC(=O)Cc1ccc([O-])c(F)c1 ZINC000412824518 526727964 /nfs/dbraw/zinc/72/79/64/526727964.db2.gz OGNGRYVWJKDYTN-GXTWGEPZSA-N -1 3 293.382 3.405 20 0 CGADHM O=C(Nc1cc(C(F)(F)F)ccc1[O-])C1=COCCC1 ZINC000081458539 527104955 /nfs/dbraw/zinc/10/49/55/527104955.db2.gz COCPFODZWOBIFO-UHFFFAOYSA-N -1 3 287.237 3.044 20 0 CGADHM O=C(Nc1ccc(SC2CCCC2)cc1)c1nc[n-]n1 ZINC000095041313 527257616 /nfs/dbraw/zinc/25/76/16/527257616.db2.gz LNCVBXXMPTYUKJ-UHFFFAOYSA-N -1 3 288.376 3.092 20 0 CGADHM O=[S@@](CCCOCc1ccccc1)c1cccc([O-])c1 ZINC000184032276 527418695 /nfs/dbraw/zinc/41/86/95/527418695.db2.gz CQKYCAZBOZMQFO-FQEVSTJZSA-N -1 3 290.384 3.107 20 0 CGADHM CCC1(C[N-]S(=O)(=O)c2ccc(Cl)s2)CCC1 ZINC000437326351 527751258 /nfs/dbraw/zinc/75/12/58/527751258.db2.gz IPYDPCYWMVSYGX-UHFFFAOYSA-N -1 3 293.841 3.260 20 0 CGADHM CCC[C@@](C)(CC)C(=O)N=c1cc(-c2ccncc2)[n-][nH]1 ZINC000359370953 527881162 /nfs/dbraw/zinc/88/11/62/527881162.db2.gz OCERWKSYUZIVAZ-MRXNPFEDSA-N -1 3 286.379 3.049 20 0 CGADHM CCN(CC(C)(C)C)C(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000412364206 527945370 /nfs/dbraw/zinc/94/53/70/527945370.db2.gz XGEFDYQAOJQVDY-UHFFFAOYSA-N -1 3 277.364 3.103 20 0 CGADHM CC1(C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000358876096 527984764 /nfs/dbraw/zinc/98/47/64/527984764.db2.gz BPTFFYWODAHDFC-UHFFFAOYSA-N -1 3 294.203 3.072 20 0 CGADHM CCN=c1[n-]c(C(=O)Nc2ccc(F)c(Cl)c2)cs1 ZINC000358306059 528001146 /nfs/dbraw/zinc/00/11/46/528001146.db2.gz HZEYYUPUVUHMMQ-UHFFFAOYSA-N -1 3 299.758 3.042 20 0 CGADHM CC(C)c1ccc(C(=O)NCC(F)(F)C(F)F)c([O-])c1 ZINC000436557515 528067951 /nfs/dbraw/zinc/06/79/51/528067951.db2.gz RLVVUNQUJBWJRJ-UHFFFAOYSA-N -1 3 293.260 3.146 20 0 CGADHM CC(C)c1ccc(C(=O)NC[C@@H]2CCCS2)c([O-])c1 ZINC000436572975 528070431 /nfs/dbraw/zinc/07/04/31/528070431.db2.gz GHCKHURZHVMYPB-LBPRGKRZSA-N -1 3 279.405 3.141 20 0 CGADHM CC(C)c1ccc(C(=O)NC[C@@H](O)CC(C)(C)C)c([O-])c1 ZINC000436845446 528070472 /nfs/dbraw/zinc/07/04/72/528070472.db2.gz SIUQXASPEQDZCB-ZDUSSCGKSA-N -1 3 293.407 3.043 20 0 CGADHM CC(C)c1ccc(C(=O)N[C@@H](C(C)C)C(C)(C)O)c([O-])c1 ZINC000437004512 528073791 /nfs/dbraw/zinc/07/37/91/528073791.db2.gz RCBJZPWYGHEDRU-HNNXBMFYSA-N -1 3 293.407 3.041 20 0 CGADHM CC(C)c1ccc(C(=O)N[C@H]2CC[C@H](F)C2)c([O-])c1 ZINC000436745127 528078236 /nfs/dbraw/zinc/07/82/36/528078236.db2.gz SGZKXTJGJNCQTC-RYUDHWBXSA-N -1 3 265.328 3.136 20 0 CGADHM CC1=C[C@H](C)CN(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000436006757 528135961 /nfs/dbraw/zinc/13/59/61/528135961.db2.gz VCHZSSZAUZORHB-LBPRGKRZSA-N -1 3 291.366 3.279 20 0 CGADHM CC(C)C[C@@H](C)n1nccc1NC(=O)c1cccc([O-])c1 ZINC000426882590 528282023 /nfs/dbraw/zinc/28/20/23/528282023.db2.gz KLCAKIWCFKBDAV-GFCCVEGCSA-N -1 3 287.363 3.448 20 0 CGADHM CCCCN(C(=O)c1ccc(CC)cc1[O-])C1CC1 ZINC000436809704 528310976 /nfs/dbraw/zinc/31/09/76/528310976.db2.gz PMEWRCRVQCWALA-UHFFFAOYSA-N -1 3 261.365 3.359 20 0 CGADHM CC(C)C[C@H](C)n1nccc1NC(=O)c1cccc([O-])c1 ZINC000426882591 528490483 /nfs/dbraw/zinc/49/04/83/528490483.db2.gz KLCAKIWCFKBDAV-LBPRGKRZSA-N -1 3 287.363 3.448 20 0 CGADHM CCCCO[C@@H]1C[C@@H](NC(=O)c2cccc([O-])c2)C1(C)C ZINC000357312014 528637083 /nfs/dbraw/zinc/63/70/83/528637083.db2.gz WBRZWQJZVXJVPP-HUUCEWRRSA-N -1 3 291.391 3.106 20 0 CGADHM CCC(CC)N(CC)C(=O)c1ccc(OC)cc1[O-] ZINC000436852251 528775341 /nfs/dbraw/zinc/77/53/41/528775341.db2.gz HQCZLMUHWIKZSB-UHFFFAOYSA-N -1 3 265.353 3.052 20 0 CGADHM CCC[C@@H](C)C[C@@H](NCc1cc(F)ccc1F)C(=O)[O-] ZINC000426820419 528881921 /nfs/dbraw/zinc/88/19/21/528881921.db2.gz LEIQYKYCALFOIF-QMTHXVAHSA-N -1 3 285.334 3.334 20 0 CGADHM CCC(CC)c1cc(CNC(=O)c2ccccc2[O-])on1 ZINC000173641753 528883152 /nfs/dbraw/zinc/88/31/52/528883152.db2.gz ZRLXJXXSRRDJNU-UHFFFAOYSA-N -1 3 288.347 3.214 20 0 CGADHM CC(C)[C@H](C(=O)[O-])[C@H](C)NCc1cccc(Cl)c1F ZINC000424615700 528930889 /nfs/dbraw/zinc/93/08/89/528930889.db2.gz FAXIPZIKILAQDM-CABZTGNLSA-N -1 3 287.762 3.314 20 0 CGADHM CC[C@H](C)[C@@H](C)N(C(=O)c1cc(OC)ccc1[O-])C1CC1 ZINC000436716687 529202039 /nfs/dbraw/zinc/20/20/39/529202039.db2.gz BQIYCGXPUWBAOH-NWDGAFQWSA-N -1 3 291.391 3.440 20 0 CGADHM CC[C@@H]1CCCC[C@@H]1C(=O)N=c1cc(-c2ccncc2)[n-][nH]1 ZINC000359369775 529275623 /nfs/dbraw/zinc/27/56/23/529275623.db2.gz KQDUPFVMWLIMHB-OCCSQVGLSA-N -1 3 298.390 3.049 20 0 CGADHM CC[C@H](C)n1ncc(NC(=O)c2cc(C)ccc2[O-])c1C ZINC000436594672 529294022 /nfs/dbraw/zinc/29/40/22/529294022.db2.gz JNEHZLLBPVLWCZ-NSHDSACASA-N -1 3 287.363 3.429 20 0 CGADHM CC(C)(NCc1cc(=O)[n-]c(C2CC2)n1)c1ccccc1 ZINC000459334168 535249522 /nfs/dbraw/zinc/24/95/22/535249522.db2.gz FOEFZRLIVUVYJP-UHFFFAOYSA-N -1 3 283.375 3.085 20 0 CGADHM CCOC[C@H]1CCCCN1Cc1cccc([O-])c1Cl ZINC000313471152 535708005 /nfs/dbraw/zinc/70/80/05/535708005.db2.gz PUHIALKDSBVGEN-CYBMUJFWSA-N -1 3 283.799 3.437 20 0 CGADHM CCc1cc(C(=O)N[C@H](C)Cc2cccc(O)c2)ccc1[O-] ZINC000486765203 536128628 /nfs/dbraw/zinc/12/86/28/536128628.db2.gz FUQRSSBMIIFAKS-GFCCVEGCSA-N -1 3 299.370 3.021 20 0 CGADHM O=C(N[C@H]1CC[C@@H](F)C1)c1cc([O-])c2ccccc2c1 ZINC000335675439 571751558 /nfs/dbraw/zinc/75/15/58/571751558.db2.gz OEUXOXWCVFTRMQ-OLZOCXBDSA-N -1 3 273.307 3.166 20 0 CGADHM O=C(N[C@H]1CC[C@H](F)C1)c1cc([O-])c2ccccc2c1 ZINC000335675441 571751753 /nfs/dbraw/zinc/75/17/53/571751753.db2.gz OEUXOXWCVFTRMQ-STQMWFEESA-N -1 3 273.307 3.166 20 0 CGADHM CC[C@@H](c1ccc(F)cc1)N1CCC[C@@H](NC(=O)[O-])C1 ZINC000737784544 571810321 /nfs/dbraw/zinc/81/03/21/571810321.db2.gz VRSJADDJALWZIQ-KGLIPLIRSA-N -1 3 280.343 3.009 20 0 CGADHM CC[C@@H](c1ccc(F)cc1)N1CCC[C@H](NC(=O)[O-])C1 ZINC000737784540 571810666 /nfs/dbraw/zinc/81/06/66/571810666.db2.gz VRSJADDJALWZIQ-KBPBESRZSA-N -1 3 280.343 3.009 20 0 CGADHM O=C([N-][C@@H]1CCCC[C@@H]1Cc1ccccc1)C(F)(F)F ZINC000729370630 571902813 /nfs/dbraw/zinc/90/28/13/571902813.db2.gz BKGOJNFYKZAMEQ-CHWSQXEVSA-N -1 3 285.309 3.466 20 0 CGADHM Cc1nc2cc(NC(=O)c3cc4occc4[n-]3)ccc2[nH]1 ZINC000750829792 572329199 /nfs/dbraw/zinc/32/91/99/572329199.db2.gz UPWPHCXTBYCSJR-UHFFFAOYSA-N -1 3 280.287 3.198 20 0 CGADHM Clc1cc(-c2nnn[n-]2)ccc1O[C@H]1C=CCCC1 ZINC000737562646 572348294 /nfs/dbraw/zinc/34/82/94/572348294.db2.gz LFQFKNWBHXABBY-JTQLQIEISA-N -1 3 276.727 3.008 20 0 CGADHM Clc1cc(-c2nn[n-]n2)ccc1O[C@H]1C=CCCC1 ZINC000737562646 572348298 /nfs/dbraw/zinc/34/82/98/572348298.db2.gz LFQFKNWBHXABBY-JTQLQIEISA-N -1 3 276.727 3.008 20 0 CGADHM C[C@@H](c1ccc2ccccc2c1)N1CC[C@@H](NC(=O)[O-])C1 ZINC000739055533 572400823 /nfs/dbraw/zinc/40/08/23/572400823.db2.gz FRLGQQSLCZSTJB-BLLLJJGKSA-N -1 3 284.359 3.243 20 0 CGADHM C[C@H](c1cccc(Cl)c1)N1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000739178818 572403603 /nfs/dbraw/zinc/40/36/03/572403603.db2.gz SDZJAUUFHSEXSW-JTNHKYCSSA-N -1 3 296.798 3.379 20 0 CGADHM Cc1cc(C(=O)Nc2cc(F)cc(F)c2F)ccc1[O-] ZINC000232385638 572405943 /nfs/dbraw/zinc/40/59/43/572405943.db2.gz VFHKQKNKBGXYLW-UHFFFAOYSA-N -1 3 281.233 3.370 20 0 CGADHM C[C@H](NC[C@@H]1CCCN(C(=O)[O-])C1)c1ccccc1Cl ZINC000739032673 572412038 /nfs/dbraw/zinc/41/20/38/572412038.db2.gz FDEYBWZDNDCOPY-RYUDHWBXSA-N -1 3 296.798 3.381 20 0 CGADHM CN(CCNC(=O)[O-])Cc1ccccc1-c1ccccc1 ZINC000739698157 572422310 /nfs/dbraw/zinc/42/23/10/572422310.db2.gz UMLAWPXCPLEATR-UHFFFAOYSA-N -1 3 284.359 3.053 20 0 CGADHM O=C([O-])N1CCCC[C@@H](NCc2ccc(Cl)s2)C1 ZINC000740519382 572444778 /nfs/dbraw/zinc/44/47/78/572444778.db2.gz NQBVKKBFXDFCAU-SECBINFHSA-N -1 3 288.800 3.024 20 0 CGADHM C[C@H](c1cccc(Cl)c1)N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000302514554 572517657 /nfs/dbraw/zinc/51/76/57/572517657.db2.gz NRVOEJNKZNEJJU-JTNHKYCSSA-N -1 3 281.783 3.444 20 0 CGADHM CCCCn1c(=O)[n-]nc1SCc1ncc(C(C)C)o1 ZINC000733208205 572544205 /nfs/dbraw/zinc/54/42/05/572544205.db2.gz UYAZLGLHBXWCJP-UHFFFAOYSA-N -1 3 296.396 3.188 20 0 CGADHM CCCOc1ccc(C=Cc2nccc(=O)[n-]2)cc1OC ZINC000742219902 572559123 /nfs/dbraw/zinc/55/91/23/572559123.db2.gz IODANNLCWJZNEJ-ALCCZGGFSA-N -1 3 286.331 3.150 20 0 CGADHM Cc1ccc(-c2nc(-c3ccc([O-])cc3)no2)c(Cl)n1 ZINC000733733700 572599791 /nfs/dbraw/zinc/59/97/91/572599791.db2.gz PTTCNFTXELDKPI-UHFFFAOYSA-N -1 3 287.706 3.466 20 0 CGADHM C[C@H](COC(=O)c1ccc([O-])cc1O)c1ccccc1 ZINC000735127022 572702974 /nfs/dbraw/zinc/70/29/74/572702974.db2.gz HRLLXVUHTJFSPU-LLVKDONJSA-N -1 3 272.300 3.058 20 0 CGADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)CCC3CC3)c2)n1 ZINC000744218753 572725573 /nfs/dbraw/zinc/72/55/73/572725573.db2.gz ZRABWFKRGTVJOD-UHFFFAOYSA-N -1 3 298.342 3.253 20 0 CGADHM C[C@H](CN(C)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000736003089 572758795 /nfs/dbraw/zinc/75/87/95/572758795.db2.gz WFLKRZJMWOWZSE-CYBMUJFWSA-N -1 3 293.374 3.107 20 0 CGADHM C[C@H](CN(C)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000736003089 572758800 /nfs/dbraw/zinc/75/88/00/572758800.db2.gz WFLKRZJMWOWZSE-CYBMUJFWSA-N -1 3 293.374 3.107 20 0 CGADHM C/C=C/CS[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736302893 572780431 /nfs/dbraw/zinc/78/04/31/572780431.db2.gz HYAOTEOWKUKVOV-FSIBCCDJSA-N -1 3 260.366 3.237 20 0 CGADHM C/C=C/CS[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736302893 572780434 /nfs/dbraw/zinc/78/04/34/572780434.db2.gz HYAOTEOWKUKVOV-FSIBCCDJSA-N -1 3 260.366 3.237 20 0 CGADHM CC[C@@H]1CCCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000736402580 572787463 /nfs/dbraw/zinc/78/74/63/572787463.db2.gz OHADVKHCQFTZBY-LLVKDONJSA-N -1 3 289.358 3.022 20 0 CGADHM CC[C@@H]1CCCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000736402580 572787467 /nfs/dbraw/zinc/78/74/67/572787467.db2.gz OHADVKHCQFTZBY-LLVKDONJSA-N -1 3 289.358 3.022 20 0 CGADHM CCC[C@H]1CCCC[C@@H]1Nc1ccc(-c2nnn[n-]2)cn1 ZINC000736435775 572791293 /nfs/dbraw/zinc/79/12/93/572791293.db2.gz OAEOPEMEMDDWFA-AAEUAGOBSA-N -1 3 286.383 3.033 20 0 CGADHM CCC[C@H]1CCCC[C@@H]1Nc1ccc(-c2nn[n-]n2)cn1 ZINC000736435775 572791296 /nfs/dbraw/zinc/79/12/96/572791296.db2.gz OAEOPEMEMDDWFA-AAEUAGOBSA-N -1 3 286.383 3.033 20 0 CGADHM CCCCCSCc1ccc(-c2nnn[n-]2)cc1F ZINC000736451605 572794512 /nfs/dbraw/zinc/79/45/12/572794512.db2.gz ODMLZPJYKHGDMB-UHFFFAOYSA-N -1 3 280.372 3.429 20 0 CGADHM CCCCCSCc1ccc(-c2nn[n-]n2)cc1F ZINC000736451605 572794520 /nfs/dbraw/zinc/79/45/20/572794520.db2.gz ODMLZPJYKHGDMB-UHFFFAOYSA-N -1 3 280.372 3.429 20 0 CGADHM CCN(Cc1ccoc1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736555015 572799205 /nfs/dbraw/zinc/79/92/05/572799205.db2.gz BDVGZRTZSNHHTN-LBPRGKRZSA-N -1 3 297.362 3.043 20 0 CGADHM CC[C@H](NCCCCC(=O)[O-])c1ccc(F)cc1F ZINC000736916520 572825230 /nfs/dbraw/zinc/82/52/30/572825230.db2.gz JHVHMGMLFPBLNV-ZDUSSCGKSA-N -1 3 271.307 3.260 20 0 CGADHM Cc1ccc([C@@H]([N-]C(=O)C(F)(F)C(F)F)C2CC2)cc1 ZINC000749338835 572992363 /nfs/dbraw/zinc/99/23/63/572992363.db2.gz SYSXUYFORZJCKF-LLVKDONJSA-N -1 3 289.272 3.463 20 0 CGADHM CCC[C@H](Cc1ccccc1)[N-]C(=O)C(F)(F)C(F)F ZINC000749372481 572994117 /nfs/dbraw/zinc/99/41/17/572994117.db2.gz GCNDBVKNYQHBMH-LLVKDONJSA-N -1 3 291.288 3.414 20 0 CGADHM Cc1cccc([C@@H](C)[N-]C(=O)C(F)(F)C(F)F)c1C ZINC000749397535 572999681 /nfs/dbraw/zinc/99/96/81/572999681.db2.gz WSKKJSBFDHNNRT-SECBINFHSA-N -1 3 277.261 3.381 20 0 CGADHM CC(C)CO[N-]C(=O)Cc1ccc(C(C)(C)C)cc1 ZINC000750007420 573073335 /nfs/dbraw/zinc/07/33/35/573073335.db2.gz MIBZJGFPANHENV-UHFFFAOYSA-N -1 3 263.381 3.230 20 0 CGADHM CC[C@@H](Nc1cccc2c1CN(CCC(C)C)C2)C(=O)[O-] ZINC000736922773 599814976 /nfs/dbraw/zinc/81/49/76/599814976.db2.gz AERHPKLGTSCGBS-OAHLLOKOSA-N -1 3 290.407 3.323 20 0 CGADHM Fc1cc(-c2nnn[n-]2)ccc1CSCC1CCC1 ZINC000822744312 599226346 /nfs/dbraw/zinc/22/63/46/599226346.db2.gz QOBHNZIEOMWNEF-UHFFFAOYSA-N -1 3 278.356 3.039 20 0 CGADHM Fc1cc(-c2nn[n-]n2)ccc1CSCC1CCC1 ZINC000822744312 599226348 /nfs/dbraw/zinc/22/63/48/599226348.db2.gz QOBHNZIEOMWNEF-UHFFFAOYSA-N -1 3 278.356 3.039 20 0 CGADHM C[C@H](NCc1ccc(C(=O)[O-])cc1)c1ccsc1 ZINC000061362720 597243640 /nfs/dbraw/zinc/24/36/40/597243640.db2.gz OJGJQENCTGYUMX-JTQLQIEISA-N -1 3 261.346 3.297 20 0 CGADHM COc1ccccc1[C@H](C)NCc1cccc(C(=O)[O-])c1 ZINC000234901028 598192255 /nfs/dbraw/zinc/19/22/55/598192255.db2.gz LCJODSXPJXNTEH-LBPRGKRZSA-N -1 3 285.343 3.244 20 0 CGADHM Cc1ccc([C@H](C)Nc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000822229016 599486601 /nfs/dbraw/zinc/48/66/01/599486601.db2.gz KMXVCQIKFHBRCI-NSHDSACASA-N -1 3 297.337 3.487 20 0 CGADHM Cc1ccc([C@H](C)Nc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000822229016 599486604 /nfs/dbraw/zinc/48/66/04/599486604.db2.gz KMXVCQIKFHBRCI-NSHDSACASA-N -1 3 297.337 3.487 20 0 CGADHM C[C@H]1CCC[C@@H]1Nc1c(Cl)cccc1-c1nn[n-]n1 ZINC000820697946 599527899 /nfs/dbraw/zinc/52/78/99/599527899.db2.gz OHLCSUZCQHYAQW-KWQFWETISA-N -1 3 277.759 3.121 20 0 CGADHM C[C@H]1CCC[C@@H]1Nc1c(Cl)cccc1-c1nnn[n-]1 ZINC000820697946 599527898 /nfs/dbraw/zinc/52/78/98/599527898.db2.gz OHLCSUZCQHYAQW-KWQFWETISA-N -1 3 277.759 3.121 20 0 CGADHM CC(C)(CCC(=O)[O-])NCc1coc(-c2ccccc2)n1 ZINC000826542468 601009060 /nfs/dbraw/zinc/00/90/60/601009060.db2.gz XQXUBQQBFCYVIK-UHFFFAOYSA-N -1 3 288.347 3.075 20 0 CGADHM CCc1ccc([C@@H]2CCCCN2C/C=C(\C)C(=O)[O-])o1 ZINC000830238050 601172503 /nfs/dbraw/zinc/17/25/03/601172503.db2.gz NXYATRJTNNCYOX-TZIYXEQSSA-N -1 3 277.364 3.400 20 0 CGADHM CC(C)Cc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000095199732 607644134 /nfs/dbraw/zinc/64/41/34/607644134.db2.gz NOFPOUNGATYUQE-UHFFFAOYSA-N -1 3 285.376 3.189 20 0 CGADHM CC(C)Cc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000095199732 607644136 /nfs/dbraw/zinc/64/41/36/607644136.db2.gz NOFPOUNGATYUQE-UHFFFAOYSA-N -1 3 285.376 3.189 20 0 CGADHM CC(C)c1cnc(CN2CC[C@@](C(=O)[O-])(C(C)C)C2)s1 ZINC000901464950 620895246 /nfs/dbraw/zinc/89/52/46/620895246.db2.gz PPHMFLZPWSBIGX-HNNXBMFYSA-N -1 3 296.436 3.199 20 0 CGADHM CCc1ccc(NCc2ccc(-c3nnn[n-]3)cc2)cc1F ZINC000825717135 607687169 /nfs/dbraw/zinc/68/71/69/607687169.db2.gz GTZGEACGOKALFB-UHFFFAOYSA-N -1 3 297.337 3.180 20 0 CGADHM CCc1ccc(NCc2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000825717135 607687171 /nfs/dbraw/zinc/68/71/71/607687171.db2.gz GTZGEACGOKALFB-UHFFFAOYSA-N -1 3 297.337 3.180 20 0 CGADHM CC(C)c1ccc(CN(C)Cc2c[nH]c(C(=O)[O-])c2)cc1 ZINC000833510056 604519741 /nfs/dbraw/zinc/51/97/41/604519741.db2.gz IZRSKAIRFJASNK-UHFFFAOYSA-N -1 3 286.375 3.468 20 0 CGADHM CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2ccc(Cl)nc2)C1 ZINC000833420240 604950852 /nfs/dbraw/zinc/95/08/52/604950852.db2.gz PNZNWLOPHVCXPC-LBPRGKRZSA-N -1 3 296.798 3.058 20 0 CGADHM Cc1ccc([C@H](C)N[C@@H](C(=O)[O-])c2cccnc2)cc1F ZINC000832921487 605007656 /nfs/dbraw/zinc/00/76/56/605007656.db2.gz RLGQOWWVEVTTJB-XHDPSFHLSA-N -1 3 288.322 3.006 20 0 CGADHM C/C(=C/CNC1(c2ccc(F)cc2F)CCCC1)C(=O)[O-] ZINC000833386221 605172280 /nfs/dbraw/zinc/17/22/80/605172280.db2.gz WAVSHHIMJYOJOM-WDZFZDKYSA-N -1 3 295.329 3.355 20 0 CGADHM Cc1c2ccccc2nc(C(C)(C)C)c1-c1nnn[n-]1 ZINC000822015337 606021134 /nfs/dbraw/zinc/02/11/34/606021134.db2.gz IXGJLOSMSGDYEP-UHFFFAOYSA-N -1 3 267.336 3.021 20 0 CGADHM Cc1c2ccccc2nc(C(C)(C)C)c1-c1nn[n-]n1 ZINC000822015337 606021136 /nfs/dbraw/zinc/02/11/36/606021136.db2.gz IXGJLOSMSGDYEP-UHFFFAOYSA-N -1 3 267.336 3.021 20 0 CGADHM Cc1cc([C@@H](C)Nc2ccc(-c3nn[n-]n3)cc2)ccc1F ZINC000822191287 606431191 /nfs/dbraw/zinc/43/11/91/606431191.db2.gz HOBDQSHEWFSINE-LLVKDONJSA-N -1 3 297.337 3.487 20 0 CGADHM Cc1ccc(Cl)c(NCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822239964 606777230 /nfs/dbraw/zinc/77/72/30/606777230.db2.gz MQESZRLEFNCMDK-UHFFFAOYSA-N -1 3 299.765 3.441 20 0 CGADHM Cc1ccc(Cl)c(NCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822239964 606777234 /nfs/dbraw/zinc/77/72/34/606777234.db2.gz MQESZRLEFNCMDK-UHFFFAOYSA-N -1 3 299.765 3.441 20 0 CGADHM C[C@@H](SCCCF)c1ccc(-c2nnn[n-]2)cc1 ZINC000820548613 606987102 /nfs/dbraw/zinc/98/71/02/606987102.db2.gz DDJBTEIMAAQIMZ-SECBINFHSA-N -1 3 266.345 3.021 20 0 CGADHM C[C@@H](SCCCF)c1ccc(-c2nn[n-]n2)cc1 ZINC000820548613 606987103 /nfs/dbraw/zinc/98/71/03/606987103.db2.gz DDJBTEIMAAQIMZ-SECBINFHSA-N -1 3 266.345 3.021 20 0 CGADHM Cc1sc(C=Cc2ccccc2-c2nnn[n-]2)cc1C=O ZINC000826349881 607885335 /nfs/dbraw/zinc/88/53/35/607885335.db2.gz YMDALMQWPQWZBF-SREVYHEPSA-N -1 3 296.355 3.220 20 0 CGADHM Cc1sc(C=Cc2ccccc2-c2nn[n-]n2)cc1C=O ZINC000826349881 607885336 /nfs/dbraw/zinc/88/53/36/607885336.db2.gz YMDALMQWPQWZBF-SREVYHEPSA-N -1 3 296.355 3.220 20 0 CGADHM C[C@H]1c2ccccc2CN1Cc1ccc(-c2nnn[n-]2)s1 ZINC000825028032 608708824 /nfs/dbraw/zinc/70/88/24/608708824.db2.gz DDEMSNBMBGCBSS-JTQLQIEISA-N -1 3 297.387 3.005 20 0 CGADHM C[C@H]1c2ccccc2CN1Cc1ccc(-c2nn[n-]n2)s1 ZINC000825028032 608708827 /nfs/dbraw/zinc/70/88/27/608708827.db2.gz DDEMSNBMBGCBSS-JTQLQIEISA-N -1 3 297.387 3.005 20 0 CGADHM c1oc2ccccc2c1CNc1cccc(-c2nnn[n-]2)c1 ZINC000378906241 608867167 /nfs/dbraw/zinc/86/71/67/608867167.db2.gz FJWYHLKYZGXJLG-UHFFFAOYSA-N -1 3 291.314 3.225 20 0 CGADHM c1oc2ccccc2c1CNc1cccc(-c2nn[n-]n2)c1 ZINC000378906241 608867171 /nfs/dbraw/zinc/86/71/71/608867171.db2.gz FJWYHLKYZGXJLG-UHFFFAOYSA-N -1 3 291.314 3.225 20 0 CGADHM Cc1cnc([C@@H](C)Sc2cccc(-c3nnn[n-]3)c2)o1 ZINC000826317978 608886602 /nfs/dbraw/zinc/88/66/02/608886602.db2.gz RNRJOLVSMPROFK-SECBINFHSA-N -1 3 287.348 3.016 20 0 CGADHM Cc1cnc([C@@H](C)Sc2cccc(-c3nn[n-]n3)c2)o1 ZINC000826317978 608886604 /nfs/dbraw/zinc/88/66/04/608886604.db2.gz RNRJOLVSMPROFK-SECBINFHSA-N -1 3 287.348 3.016 20 0 CGADHM Cc1ccccc1CCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000826306935 609383152 /nfs/dbraw/zinc/38/31/52/609383152.db2.gz QNIUYFDOTPDKCE-UHFFFAOYSA-N -1 3 294.358 3.187 20 0 CGADHM Cc1oc(CNCCSc2ccccc2)cc1C(=O)[O-] ZINC000235973234 618026075 /nfs/dbraw/zinc/02/60/75/618026075.db2.gz ZEFSAENGSWSSFN-UHFFFAOYSA-N -1 3 291.372 3.168 20 0 CGADHM O=C([N-]Cc1ccc(Cl)cn1)C(F)(F)c1ccccc1 ZINC000182133847 619032595 /nfs/dbraw/zinc/03/25/95/619032595.db2.gz CJBLQBZTELGQGI-UHFFFAOYSA-N -1 3 296.704 3.143 20 0 CGADHM Cc1nc(-c2cccc(NCc3ccc([O-])c(F)c3)c2)n[nH]1 ZINC000318973014 619079462 /nfs/dbraw/zinc/07/94/62/619079462.db2.gz MXZTYCUBAIWRKE-UHFFFAOYSA-N -1 3 298.321 3.237 20 0 CGADHM Cc1nc2c(c(=O)[n-]1)CN([C@@H](C)c1ccccc1Cl)C2 ZINC000931321394 619145108 /nfs/dbraw/zinc/14/51/08/619145108.db2.gz PUIYAZFWUGQRQA-VIFPVBQESA-N -1 3 289.766 3.221 20 0 CGADHM CC[C@@H]1CCC[C@@]1(C)C(=O)[N-]OCCC(F)(F)F ZINC000879565949 619506904 /nfs/dbraw/zinc/50/69/04/619506904.db2.gz AYRDUENAIIVNIT-MWLCHTKSSA-N -1 3 267.291 3.203 20 0 CGADHM CCOc1ccc(CN(C)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000262017968 619524204 /nfs/dbraw/zinc/52/42/04/619524204.db2.gz XFTBUIWXEDEZTE-UHFFFAOYSA-N -1 3 299.370 3.416 20 0 CGADHM COc1ccc(C(=O)N[C@H](C)c2ccc(C)s2)c([O-])c1 ZINC000048743243 619552491 /nfs/dbraw/zinc/55/24/91/619552491.db2.gz YWLNWIJZRJWIMV-SNVBAGLBSA-N -1 3 291.372 3.262 20 0 CGADHM O=C1[N-]C(=O)C(=CNc2ccc(Cl)cc2)c2ccccc21 ZINC000147614917 619818571 /nfs/dbraw/zinc/81/85/71/619818571.db2.gz MFSWYMFBVROVCZ-ZROIWOOFSA-N -1 3 298.729 3.063 20 0 CGADHM CC(C)(C)c1nnc([N-][C@@H]2c3ccccc3OC[C@H]2F)o1 ZINC000895555951 619849745 /nfs/dbraw/zinc/84/97/45/619849745.db2.gz RKKJYZITIZQZKX-ZYHUDNBSSA-N -1 3 291.326 3.251 20 0 CGADHM CC[C@@]1(C)CN(Cc2cc(Cl)ccc2[O-])CCO1 ZINC000191149939 620263278 /nfs/dbraw/zinc/26/32/78/620263278.db2.gz WUXAPWYXWHWBPJ-AWEZNQCLSA-N -1 3 269.772 3.047 20 0 CGADHM [O-]c1ccc(CNc2ccc(C3CC3)cn2)cc1F ZINC000897716258 620422655 /nfs/dbraw/zinc/42/26/55/620422655.db2.gz XNPBDVCALQYEJG-UHFFFAOYSA-N -1 3 258.296 3.416 20 0 CGADHM CCCC[C@@H](CC)CC(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898213101 620488118 /nfs/dbraw/zinc/48/81/18/620488118.db2.gz SUGISBAENDJPMA-CHWSQXEVSA-N -1 3 293.411 3.038 20 0 CGADHM Cc1cccc(CO[N-]C(=O)CCCCC(C)C)n1 ZINC000898929857 620609275 /nfs/dbraw/zinc/60/92/75/620609275.db2.gz AJIBWCDMFNPEFO-UHFFFAOYSA-N -1 3 264.369 3.154 20 0 CGADHM CC1(C)CC[C@@H](CC(=O)Nc2cccc([O-])c2F)OC1 ZINC000901243641 620845673 /nfs/dbraw/zinc/84/56/73/620845673.db2.gz MKSXVRQTAMKKIW-JTQLQIEISA-N -1 3 281.327 3.065 20 0 CGADHM COc1cccc([O-])c1C(=O)N1CC[C@@H](C)C2(CCC2)C1 ZINC000901303145 620851443 /nfs/dbraw/zinc/85/14/43/620851443.db2.gz OKDQWVRPTQQSKZ-GFCCVEGCSA-N -1 3 289.375 3.053 20 0 CGADHM Cc1ccsc1CN(C)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000902006452 621095825 /nfs/dbraw/zinc/09/58/25/621095825.db2.gz 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CCC[C@@H]1CCC[C@@H]1C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000913356558 622762584 /nfs/dbraw/zinc/76/25/84/622762584.db2.gz ABYHMCQZXBTAGD-NEPJUHHUSA-N -1 3 299.378 3.022 20 0 CGADHM CC1(C)C[C@@H]1NC(=O)c1cc2sccc2c([O-])c1 ZINC000840503183 622932286 /nfs/dbraw/zinc/93/22/86/622932286.db2.gz KABVTESYRXJQIC-LBPRGKRZSA-N -1 3 261.346 3.135 20 0 CGADHM CC[C@]1(C(=O)[O-])CCCN(Cc2cc(F)ccc2F)C1 ZINC000062877230 623273577 /nfs/dbraw/zinc/27/35/77/623273577.db2.gz YQFRDRNLGRNWMR-HNNXBMFYSA-N -1 3 283.318 3.042 20 0 CGADHM CCCCCC[C@H](C)C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000173200982 623312180 /nfs/dbraw/zinc/31/21/80/623312180.db2.gz QTZZZKNINHHFDO-QMMMGPOBSA-N -1 3 292.305 3.369 20 0 CGADHM CCCCCC[C@H](C)C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000173200982 623312186 /nfs/dbraw/zinc/31/21/86/623312186.db2.gz QTZZZKNINHHFDO-QMMMGPOBSA-N -1 3 292.305 3.369 20 0 CGADHM O=C(OCCC[C@H]1CCOC1)c1cc(Cl)c(Cl)[n-]1 ZINC000828682758 623485774 /nfs/dbraw/zinc/48/57/74/623485774.db2.gz BVAASQQYPCHCNH-QMMMGPOBSA-N -1 3 292.162 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287.290 3.192 20 0 CGADHM COc1ccc(C(=O)N2CCC(CC(C)C)CC2)c([O-])c1 ZINC000761602103 627053185 /nfs/dbraw/zinc/05/31/85/627053185.db2.gz KLAXHIIDHANFBT-UHFFFAOYSA-N -1 3 291.391 3.299 20 0 CGADHM CCOc1ccccc1CSCc1nc(C)cc(=O)[n-]1 ZINC000763219288 627145799 /nfs/dbraw/zinc/14/57/99/627145799.db2.gz YRKKAVCOWZYJAE-UHFFFAOYSA-N -1 3 290.388 3.323 20 0 CGADHM CC(C)c1nsc([N-]C(=O)c2ccc(F)cc2F)n1 ZINC000874698133 634596184 /nfs/dbraw/zinc/59/61/84/634596184.db2.gz UCQZCGQGHLODHZ-UHFFFAOYSA-N -1 3 283.303 3.192 20 0 CGADHM Cc1ccc(COC(=O)c2cc(Cl)c(Cl)[n-]2)cn1 ZINC000772664811 627813347 /nfs/dbraw/zinc/81/33/47/627813347.db2.gz KJJRMZZNTJSYCA-UHFFFAOYSA-N -1 3 285.130 3.382 20 0 CGADHM CC(C)=C[C@@H]1[C@@H](C(=O)[N-]OC2CCCC2)C1(C)C ZINC000774875464 628045757 /nfs/dbraw/zinc/04/57/57/628045757.db2.gz SCRNKDKFFOXDBQ-OLZOCXBDSA-N -1 3 251.370 3.215 20 0 CGADHM CC(C)=C[C@H]1[C@@H](C(=O)[N-]OC2CCCC2)C1(C)C ZINC000774875466 628046400 /nfs/dbraw/zinc/04/64/00/628046400.db2.gz SCRNKDKFFOXDBQ-STQMWFEESA-N 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CGADHM [O-]c1ccc(F)c(CN2CCCC(F)(F)CC2)c1F ZINC000862465977 629382849 /nfs/dbraw/zinc/38/28/49/629382849.db2.gz ANYBZBZXCRQLJF-UHFFFAOYSA-N -1 3 277.261 3.292 20 0 CGADHM CCc1onc(-c2ccccc2)c1C(=O)[N-]c1ccon1 ZINC000793767795 629500700 /nfs/dbraw/zinc/50/07/00/629500700.db2.gz SFSODZBZYJUZSH-UHFFFAOYSA-N -1 3 283.287 3.144 20 0 CGADHM CSCCO[N-]C(=O)C[C@H](C)C1CCCCC1 ZINC000794196168 629519116 /nfs/dbraw/zinc/51/91/16/629519116.db2.gz UMTJWSCTNBCYHC-NSHDSACASA-N -1 3 259.415 3.004 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)Cc1coc2cc(F)ccc12 ZINC000794843640 629587047 /nfs/dbraw/zinc/58/70/47/629587047.db2.gz TTYSYLQVXBBOBN-SNVBAGLBSA-N -1 3 279.311 3.208 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)CCCc1ccc(C)s1 ZINC000794855050 629589589 /nfs/dbraw/zinc/58/95/89/629589589.db2.gz UZHMVMVCQAKKFL-NSHDSACASA-N -1 3 269.410 3.473 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)Cc1ccc(-n2cccc2)cc1 ZINC000794862750 629590825 /nfs/dbraw/zinc/59/08/25/629590825.db2.gz FSPJMYNYLAPMFK-CQSZACIVSA-N -1 3 286.375 3.114 20 0 CGADHM CC(C)C[C@H](CNCc1nc(C(C)(C)C)cs1)C(=O)[O-] ZINC000864514106 629849870 /nfs/dbraw/zinc/84/98/70/629849870.db2.gz OEZZMJDBGOGTSK-LLVKDONJSA-N -1 3 298.452 3.277 20 0 CGADHM CC(C)(C)c1cnc(CCC(=O)[N-]OC2CCCCC2)o1 ZINC000802601726 630399752 /nfs/dbraw/zinc/39/97/52/630399752.db2.gz FEMQNIWTKXNIEQ-UHFFFAOYSA-N -1 3 294.395 3.285 20 0 CGADHM CC(C)SCCOC(=O)c1cc(F)cc(Cl)c1[O-] ZINC000803375955 630469338 /nfs/dbraw/zinc/46/93/38/630469338.db2.gz PIQRTQLGUJUMIN-UHFFFAOYSA-N -1 3 292.759 3.483 20 0 CGADHM Cc1ncccc1CO[N-]C(=O)CCC1CCCCC1 ZINC000809994757 630824938 /nfs/dbraw/zinc/82/49/38/630824938.db2.gz GDGIYIPOADMUJK-UHFFFAOYSA-N -1 3 276.380 3.298 20 0 CGADHM CSCCO[N-]C(=O)CCCc1ccccc1Cl ZINC000810713416 630932251 /nfs/dbraw/zinc/93/22/51/630932251.db2.gz VYFXGPVVHADAPY-UHFFFAOYSA-N -1 3 287.812 3.074 20 0 CGADHM CCO[C@@H]1C[C@H]1COC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000810722962 630934349 /nfs/dbraw/zinc/93/43/49/630934349.db2.gz CAKGIKZPCAXQPI-WCBMZHEXSA-N -1 3 299.779 3.465 20 0 CGADHM O=C(CCc1cccc(Cl)c1)[N-]OC/C=C\Cl ZINC000812408937 631249265 /nfs/dbraw/zinc/24/92/65/631249265.db2.gz UWRCYRKTUIKQAR-UQCOIBPSSA-N -1 3 274.147 3.073 20 0 CGADHM O=C(Cc1c(Cl)cccc1Cl)[N-]OC1CCC1 ZINC000812789760 631309102 /nfs/dbraw/zinc/30/91/02/631309102.db2.gz AHGFYAOXVYHVKH-UHFFFAOYSA-N -1 3 274.147 3.136 20 0 CGADHM O=C(CCc1ccc(-c2ccccc2)[nH]1)[N-]OC1CCC1 ZINC000812795547 631313632 /nfs/dbraw/zinc/31/36/32/631313632.db2.gz CBAHYYVFWDMVGL-UHFFFAOYSA-N -1 3 284.359 3.215 20 0 CGADHM CCCCC[C@@H](C)NC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000816839297 632055770 /nfs/dbraw/zinc/05/57/70/632055770.db2.gz AMNWBSGWFDWATC-LLVKDONJSA-N -1 3 277.364 3.293 20 0 CGADHM Cc1ccc(C)c(OCCCCC(=O)[N-]OCC2CC2)c1 ZINC000817334745 632124653 /nfs/dbraw/zinc/12/46/53/632124653.db2.gz PMPSRGDYLYPXGN-UHFFFAOYSA-N -1 3 291.391 3.310 20 0 CGADHM COc1cccc([C@@H](C)CCCC(=O)[N-]OCC2CC2)c1 ZINC000817350083 632130561 /nfs/dbraw/zinc/13/05/61/632130561.db2.gz UIXNDJYLJYDQDW-ZDUSSCGKSA-N -1 3 291.391 3.427 20 0 CGADHM C[C@@H](CC(=O)[N-]OCCC1CC1)C1CCCCC1 ZINC000817403500 632138453 /nfs/dbraw/zinc/13/84/53/632138453.db2.gz IHBQXKPKQBCTBD-LBPRGKRZSA-N -1 3 253.386 3.441 20 0 CGADHM Cc1ccccc1OCCCC(=O)[N-]OCCC1CC1 ZINC000817408234 632139896 /nfs/dbraw/zinc/13/98/96/632139896.db2.gz OMOFMGKLASQVNY-UHFFFAOYSA-N -1 3 277.364 3.002 20 0 CGADHM CN(CCCCc1ccccc1)C(=O)c1ccc(N)cc1[O-] ZINC000817922016 632234748 /nfs/dbraw/zinc/23/47/48/632234748.db2.gz NMWXQMAPHXXRKA-UHFFFAOYSA-N -1 3 298.386 3.069 20 0 CGADHM CC(C)(C)[C@H](NC(=O)c1ccc(N)cc1[O-])c1ccccc1 ZINC000817918013 632235283 /nfs/dbraw/zinc/23/52/83/632235283.db2.gz SBIFAUHPNLAUPU-MRXNPFEDSA-N -1 3 298.386 3.492 20 0 CGADHM CC(C)(C)C[C@H]1CCCN1C(=O)c1ccc(N)cc1[O-] ZINC000817929864 632236045 /nfs/dbraw/zinc/23/60/45/632236045.db2.gz LVIULAPIHOSPGG-GFCCVEGCSA-N -1 3 276.380 3.015 20 0 CGADHM CCCC[C@H]1CCC[C@H]1NC(=O)c1ccc(N)cc1[O-] ZINC000817933387 632236690 /nfs/dbraw/zinc/23/66/90/632236690.db2.gz CDQQKKROQWSNPX-SMDDNHRTSA-N -1 3 276.380 3.063 20 0 CGADHM CC[C@H](C)[C@H]1CCCCN1C(=O)c1ccc(N)cc1[O-] ZINC000817950827 632248054 /nfs/dbraw/zinc/24/80/54/632248054.db2.gz ZVFXWAUJSBTCTE-SMDDNHRTSA-N -1 3 276.380 3.015 20 0 CGADHM CCN(C(=O)c1ccc(N)cc1[O-])[C@H]1CCCC[C@@H]1C ZINC000817997060 632275625 /nfs/dbraw/zinc/27/56/25/632275625.db2.gz RAOVPXJNNOTKLS-FZMZJTMJSA-N -1 3 276.380 3.015 20 0 CGADHM CC1(C)C[C@H](NC(=O)c2ccc(N)cc2[O-])c2ccccc21 ZINC000817997081 632276374 /nfs/dbraw/zinc/27/63/74/632276374.db2.gz LHJRSXVOZREZCC-HNNXBMFYSA-N -1 3 296.370 3.127 20 0 CGADHM Cc1ccc(F)c(CC(=O)[N-]OC2CCCCC2)c1 ZINC000829052867 633685204 /nfs/dbraw/zinc/68/52/04/633685204.db2.gz NIPJGDUBNRSAKP-UHFFFAOYSA-N -1 3 265.328 3.057 20 0 CGADHM CCCC[C@H](C)C(=O)[N-]OCCCC(F)(F)F ZINC000871216500 633730801 /nfs/dbraw/zinc/73/08/01/633730801.db2.gz ZTGXIRCAAVPHGK-VIFPVBQESA-N -1 3 255.280 3.203 20 0 CGADHM CCC(F)(F)C(=O)[N-][C@@H](C)c1ccc(F)cc1F ZINC000829819983 633797752 /nfs/dbraw/zinc/79/77/52/633797752.db2.gz BFIDAEVETMEGER-ZETCQYMHSA-N -1 3 263.234 3.187 20 0 CGADHM C[C@H]1CN(Cc2ccoc2C(=O)[O-])Cc2ccccc21 ZINC000871620717 633804930 /nfs/dbraw/zinc/80/49/30/633804930.db2.gz JHOIPSYQJYQTIT-NSHDSACASA-N -1 3 271.316 3.097 20 0 CGADHM Cc1[n-]n(Cc2cccc(Cl)c2Cl)c(=O)c1F ZINC000871959710 633929445 /nfs/dbraw/zinc/92/94/45/633929445.db2.gz PESDRJYDAZRCMS-SNVBAGLBSA-N -1 3 275.110 3.050 20 0 CGADHM C[C@@H](N[C@@H](CO)c1cccc(F)c1)c1cccc([O-])c1F ZINC000872044365 633967953 /nfs/dbraw/zinc/96/79/53/633967953.db2.gz AKOOOQSDNFZLEX-YGRLFVJLSA-N -1 3 293.313 3.055 20 0 CGADHM C[C@@H](N[C@@H](CO)c1ccc(F)cc1)c1cccc([O-])c1F ZINC000872046055 633969452 /nfs/dbraw/zinc/96/94/52/633969452.db2.gz UPPZESMMEIJXOR-YGRLFVJLSA-N -1 3 293.313 3.055 20 0 CGADHM Cc1nnc([C@@H](C)N[C@@H](C)c2cccc([O-])c2F)s1 ZINC000872062830 633985014 /nfs/dbraw/zinc/98/50/14/633985014.db2.gz QRYVHFITOSALGD-JGVFFNPUSA-N -1 3 281.356 3.103 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)C[C@@]1(C)CC1(Cl)Cl ZINC000832738732 634089557 /nfs/dbraw/zinc/08/95/57/634089557.db2.gz KSZXAQXFEHTKED-SCZZXKLOSA-N -1 3 268.184 3.054 20 0 CGADHM CC[C@@H](CC(=O)OCc1cc(=O)[n-]c(C2CC2)n1)C(C)C ZINC000837505152 634922629 /nfs/dbraw/zinc/92/26/29/634922629.db2.gz GBVJIXAXSJLHBB-NSHDSACASA-N -1 3 292.379 3.175 20 0 CGADHM CCC(CC)(CC)C(=O)OCc1cc(=O)[n-]c(C2CC2)n1 ZINC000837576921 634940438 /nfs/dbraw/zinc/94/04/38/634940438.db2.gz YSYGLQFCRRQWLM-UHFFFAOYSA-N -1 3 292.379 3.319 20 0 CGADHM CC(C)O[N-]C(=O)C(C)(C)Cc1ccc(Cl)cc1 ZINC000837679950 634964667 /nfs/dbraw/zinc/96/46/67/634964667.db2.gz NBHZNDUCBQQFAJ-UHFFFAOYSA-N -1 3 269.772 3.365 20 0 CGADHM CC[C@H](C)N(CC(=O)[O-])Cc1cc2cc(Cl)cnc2o1 ZINC000840997085 635101388 /nfs/dbraw/zinc/10/13/88/635101388.db2.gz RSTSLMAMTYVHOO-VIFPVBQESA-N -1 3 296.754 3.166 20 0 CGADHM CC(C)(C)CC(=O)[N-]OCc1cc(-c2cccs2)on1 ZINC000842059726 635269622 /nfs/dbraw/zinc/26/96/22/635269622.db2.gz BXPIAYSFJNITMM-UHFFFAOYSA-N -1 3 294.376 3.387 20 0 CGADHM COc1ccc(Cl)c(CO[N-]C(=O)CC(C)(C)C)c1 ZINC000842061003 635270420 /nfs/dbraw/zinc/27/04/20/635270420.db2.gz GMFZYRHYLVLMQT-UHFFFAOYSA-N -1 3 285.771 3.333 20 0 CGADHM COc1ccc2c(c1)CCCN2C(=O)c1ccc(C)cc1[O-] ZINC000843784197 635780231 /nfs/dbraw/zinc/78/02/31/635780231.db2.gz FLEZGGYXKHZKRL-UHFFFAOYSA-N -1 3 297.354 3.302 20 0 CGADHM Cc1cccc(Cl)c1NC([O-])=NO[C@H]1CCCCO1 ZINC000128999579 636107601 /nfs/dbraw/zinc/10/76/01/636107601.db2.gz BVQUBGHRVAWJSQ-NSHDSACASA-N -1 3 284.743 3.228 20 0 CGADHM Cc1cccc(Cl)c1NC(=O)[N-]O[C@H]1CCCCO1 ZINC000128999579 636107608 /nfs/dbraw/zinc/10/76/08/636107608.db2.gz BVQUBGHRVAWJSQ-NSHDSACASA-N -1 3 284.743 3.228 20 0 CGADHM O=C(CCCc1ccc2c(c1)CCCC2)[N-]OCC(F)F ZINC000845943393 636121904 /nfs/dbraw/zinc/12/19/04/636121904.db2.gz DWOJNWNKDVJTIU-UHFFFAOYSA-N -1 3 297.345 3.201 20 0 CGADHM Cc1ccc(C(=O)[C@H](C)OC(=O)c2ccc([O-])cc2)cc1C ZINC000005694035 636147950 /nfs/dbraw/zinc/14/79/50/636147950.db2.gz QPJZJBQNHXNQOE-ZDUSSCGKSA-N -1 3 298.338 3.437 20 0 CGADHM CCSCCSCc1nnc(-c2ccccc2[O-])o1 ZINC000882152532 636271206 /nfs/dbraw/zinc/27/12/06/636271206.db2.gz AVZBRAZNZCKRGS-UHFFFAOYSA-N -1 3 296.417 3.429 20 0 CGADHM CCC(F)(F)C(=O)[N-][C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000847029603 636319113 /nfs/dbraw/zinc/31/91/13/636319113.db2.gz YCOXZDYCXQEQKM-OIBJUYFYSA-N -1 3 293.235 3.121 20 0 CGADHM Cc1cc(NC([O-])=NO[C@H]2CCCCO2)ccc1Cl ZINC000847251819 636370897 /nfs/dbraw/zinc/37/08/97/636370897.db2.gz JEIHGCKRZNOWTH-LBPRGKRZSA-N -1 3 284.743 3.228 20 0 CGADHM Cc1cc(NC(=O)[N-]O[C@H]2CCCCO2)ccc1Cl ZINC000847251819 636370901 /nfs/dbraw/zinc/37/09/01/636370901.db2.gz JEIHGCKRZNOWTH-LBPRGKRZSA-N -1 3 284.743 3.228 20 0 CGADHM Cc1cc(NC([O-])=NO[C@@H]2CCCCO2)ccc1Cl ZINC000847251818 636371286 /nfs/dbraw/zinc/37/12/86/636371286.db2.gz JEIHGCKRZNOWTH-GFCCVEGCSA-N -1 3 284.743 3.228 20 0 CGADHM Cc1cc(NC(=O)[N-]O[C@@H]2CCCCO2)ccc1Cl ZINC000847251818 636371288 /nfs/dbraw/zinc/37/12/88/636371288.db2.gz JEIHGCKRZNOWTH-GFCCVEGCSA-N -1 3 284.743 3.228 20 0 CGADHM O=C(C[C@H]1OCc2cc(Cl)ccc21)[N-]OCCC1CC1 ZINC000848129032 636533818 /nfs/dbraw/zinc/53/38/18/636533818.db2.gz LIZWBKCJBFINNT-CQSZACIVSA-N -1 3 295.766 3.149 20 0 CGADHM O=C(Nc1c([O-])cccc1Cl)C1SCCCS1 ZINC000848140507 636534029 /nfs/dbraw/zinc/53/40/29/636534029.db2.gz SJHFGTZOZUXNOB-UHFFFAOYSA-N -1 3 289.809 3.180 20 0 CGADHM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1cccc(F)n1 ZINC000131011135 636544320 /nfs/dbraw/zinc/54/43/20/636544320.db2.gz ZWBNDBYJPQMUMW-UHFFFAOYSA-N -1 3 297.289 3.436 20 0 CGADHM Cc1cccc(OCCCC(=O)[N-]OC2CCCC2)c1 ZINC000135143095 637092487 /nfs/dbraw/zinc/09/24/87/637092487.db2.gz FAFLYMSKJSRWMS-UHFFFAOYSA-N -1 3 277.364 3.144 20 0 CGADHM Cc1sc(NC(=O)c2ccc(N)cc2[O-])nc1C(C)C ZINC000852844139 637718261 /nfs/dbraw/zinc/71/82/61/637718261.db2.gz QVLPCBKLROSBRY-UHFFFAOYSA-N -1 3 291.376 3.115 20 0 CGADHM CC[C@@H](CO[N-]C(=O)Cc1ccc(C)cc1)CC(F)F ZINC000853662549 637885933 /nfs/dbraw/zinc/88/59/33/637885933.db2.gz JMSLDYKOHLDANP-GFCCVEGCSA-N -1 3 285.334 3.267 20 0 CGADHM Cc1ccc(C(=O)N2CC[C@H]2C2CCCC2)c([O-])c1 ZINC000889404743 638022511 /nfs/dbraw/zinc/02/25/11/638022511.db2.gz ANWHIMCKUUKQIZ-AWEZNQCLSA-N -1 3 259.349 3.105 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)C[C@@H]1C[C@H]1c1ccc(OC)cc1 ZINC000854603172 638077063 /nfs/dbraw/zinc/07/70/63/638077063.db2.gz UPOBYJCRPYLWCL-NOLJZWGESA-N -1 3 291.391 3.283 20 0 CGADHM Cc1cc(F)ccc1C[C@@H](C)[N-]C(=O)C(F)(F)C(F)F ZINC000855283478 638165445 /nfs/dbraw/zinc/16/54/45/638165445.db2.gz ZLFVFEMMPOPWBF-MRVPVSSYSA-N -1 3 295.251 3.082 20 0 CGADHM CC1(C)CCC[C@@H](CNC(=O)c2cc([O-])ccc2Cl)O1 ZINC000890126352 638165989 /nfs/dbraw/zinc/16/59/89/638165989.db2.gz CQQRGWXJKYJZQW-NSHDSACASA-N -1 3 297.782 3.123 20 0 CGADHM CC1(C)C[C@@]1(C)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000856137537 638305567 /nfs/dbraw/zinc/30/55/67/638305567.db2.gz UEHQASLXRDMPCX-QGZVFWFLSA-N -1 3 269.344 3.464 20 0 CGADHM O=C(CCCc1c(F)cccc1F)[N-]OCC1CCC1 ZINC000856342383 638344413 /nfs/dbraw/zinc/34/44/13/638344413.db2.gz SHHYLZFCOAIMHI-UHFFFAOYSA-N -1 3 283.318 3.135 20 0 CGADHM O=C(Cc1csc2ccccc12)[N-]OCC1CCC1 ZINC000856345746 638346928 /nfs/dbraw/zinc/34/69/28/638346928.db2.gz OJWKIQMIFDDFPO-UHFFFAOYSA-N -1 3 275.373 3.292 20 0 CGADHM C[C@H](CC(=O)[N-]OCC1CCC1)c1ccccc1F ZINC000856347353 638347226 /nfs/dbraw/zinc/34/72/26/638347226.db2.gz OEYLMQPTOZKEOI-LLVKDONJSA-N -1 3 265.328 3.167 20 0 CGADHM Cc1cc(C)cc(CCC(=O)[N-]OCC2CCC2)c1 ZINC000856348856 638348817 /nfs/dbraw/zinc/34/88/17/638348817.db2.gz RISHRRKPANONPK-UHFFFAOYSA-N -1 3 261.365 3.084 20 0 CGADHM O=C(NC(C1CCCCC1)C1CCCCC1)c1cn[n-]n1 ZINC000857534241 638513677 /nfs/dbraw/zinc/51/36/77/638513677.db2.gz CGYOKVLRDMCIHV-UHFFFAOYSA-N -1 3 290.411 3.064 20 0 CGADHM CCCO[N-]C(=O)CCCOc1ccc(Cl)c(C)c1 ZINC000857544592 638516419 /nfs/dbraw/zinc/51/64/19/638516419.db2.gz SFPLQTGJFCXAEB-UHFFFAOYSA-N -1 3 285.771 3.265 20 0 CGADHM Cc1nc2c(c(=O)[n-]1)CN([C@H](C)c1ccccc1Cl)C2 ZINC000931321392 639134834 /nfs/dbraw/zinc/13/48/34/639134834.db2.gz PUIYAZFWUGQRQA-SECBINFHSA-N -1 3 289.766 3.221 20 0 CGADHM O=C(Cc1ccc(F)c(Cl)c1)[N-]OC1CCCCC1 ZINC000860992361 639482766 /nfs/dbraw/zinc/48/27/66/639482766.db2.gz LHATWBUOCYXMFN-UHFFFAOYSA-N -1 3 285.746 3.402 20 0 CGADHM Cc1cccc(C(=O)Nc2ccc(Cl)nc2C)c1[O-] ZINC000192460132 640372270 /nfs/dbraw/zinc/37/22/70/640372270.db2.gz QOJWJHDOZQLFOP-UHFFFAOYSA-N -1 3 276.723 3.310 20 0 CGADHM C#Cc1cccc(N(C)C(=O)c2cccc(CC)c2[O-])c1 ZINC000094106380 640789768 /nfs/dbraw/zinc/78/97/68/640789768.db2.gz JOIYNBKNHPAJRY-UHFFFAOYSA-N -1 3 279.339 3.213 20 0 CGADHM O=C([N-]c1cc(F)cc(F)c1F)c1ccnc(F)c1F ZINC000097866268 640879684 /nfs/dbraw/zinc/87/96/84/640879684.db2.gz ZKCGCIQZBCQZKX-UHFFFAOYSA-N -1 3 288.175 3.029 20 0 CGADHM CN(C)c1ccc(Cc2cc(F)cc(F)c2[O-])cc1 ZINC001250433851 805613201 /nfs/dbraw/zinc/61/32/01/805613201.db2.gz CLENXAJPFXKELJ-UHFFFAOYSA-N -1 3 263.287 3.327 20 0 CGADHM [O-]c1cc(C(F)(F)F)ccc1-c1ccnc2ccnn21 ZINC001250481663 805645452 /nfs/dbraw/zinc/64/54/52/805645452.db2.gz WHRGAFLSZSMKSU-UHFFFAOYSA-N -1 3 279.221 3.121 20 0 CGADHM O=c1cc(-c2nc3c(cc(F)cc3C(F)(F)F)[n-]2)cc[nH]1 ZINC001250533169 805682090 /nfs/dbraw/zinc/68/20/90/805682090.db2.gz JFSPURNUHPTUBQ-UHFFFAOYSA-N -1 3 297.211 3.488 20 0 CGADHM O=c1cc(-c2nc3cc(F)cc(C(F)(F)F)c3[n-]2)cc[nH]1 ZINC001250533169 805682091 /nfs/dbraw/zinc/68/20/91/805682091.db2.gz JFSPURNUHPTUBQ-UHFFFAOYSA-N -1 3 297.211 3.488 20 0 CGADHM CN(C)c1ccc2nc(-c3ccc([O-])c(F)c3F)[nH]c2c1 ZINC001250912397 805796919 /nfs/dbraw/zinc/79/69/19/805796919.db2.gz FDKQPSHUQZWTOU-UHFFFAOYSA-N -1 3 289.285 3.280 20 0 CGADHM Cc1cc([N-]S(=O)(=O)c2ccc(F)cc2)cc(C)c1F ZINC001251661782 805917685 /nfs/dbraw/zinc/91/76/85/805917685.db2.gz YUIACMASTKTCLD-UHFFFAOYSA-N -1 3 297.326 3.382 20 0 CGADHM CCC(CC)Oc1cccc(F)c1[N-]S(=O)(=O)CC ZINC001253367385 806211742 /nfs/dbraw/zinc/21/17/42/806211742.db2.gz YYUBPXPLDRLEOS-UHFFFAOYSA-N -1 3 289.372 3.155 20 0 CGADHM [O-]c1cncc(-c2nnc(Cc3ccc(Cl)cc3)o2)c1 ZINC001254287801 806379041 /nfs/dbraw/zinc/37/90/41/806379041.db2.gz IBXSGTOLJZLBEC-UHFFFAOYSA-N -1 3 287.706 3.081 20 0 CGADHM O=c1[n-]c(NCC(F)(F)F)c(Cl)cc1Cl ZINC001161626604 806405479 /nfs/dbraw/zinc/40/54/79/806405479.db2.gz YCIJTSXYHQWKME-UHFFFAOYSA-N -1 3 261.030 3.068 20 0 CGADHM CC(C)c1ccc(-c2nnc(C3CC(=O)C=C([O-])C3)o2)cc1 ZINC001254817668 806492069 /nfs/dbraw/zinc/49/20/69/806492069.db2.gz LJTWCRHILREXMC-UHFFFAOYSA-N -1 3 298.342 3.266 20 0 CGADHM Cc1cccc([O-])c1C(=O)N[C@H]1C[C@@]1(F)c1ccccc1 ZINC001162661435 806642333 /nfs/dbraw/zinc/64/23/33/806642333.db2.gz KYXCSKXBBBPBMA-WMLDXEAASA-N -1 3 285.318 3.068 20 0 CGADHM Cc1cnccc1CNc1ccc2c(c1)[N-]C(=S)C2 ZINC001162723255 806654187 /nfs/dbraw/zinc/65/41/87/806654187.db2.gz ADWTURXZXHTCAU-UHFFFAOYSA-N -1 3 269.373 3.298 20 0 CGADHM Cc1ccc(C)c(CC(=O)[N-]OCc2ccccc2)c1 ZINC000076196097 798924203 /nfs/dbraw/zinc/92/42/03/798924203.db2.gz KLJYBWDTNVRIMN-UHFFFAOYSA-N -1 3 269.344 3.094 20 0 CGADHM CC(C)c1nc(CNC[C@@H]2CCCC[C@@H]2C(=O)[O-])cs1 ZINC000089438326 798949994 /nfs/dbraw/zinc/94/99/94/798949994.db2.gz UTAZLFPRMVZOJP-AAEUAGOBSA-N -1 3 296.436 3.247 20 0 CGADHM C[C@@H](CC(=O)[N-]OC(C)(C)C)c1ccc(F)cc1 ZINC000125942119 799003017 /nfs/dbraw/zinc/00/30/17/799003017.db2.gz ZSLMGLUBGHMPOY-JTQLQIEISA-N -1 3 253.317 3.166 20 0 CGADHM O=C([O-])[C@@H]1CCCCCN1Cc1cc(F)cc(Cl)c1 ZINC000161394030 799079798 /nfs/dbraw/zinc/07/97/98/799079798.db2.gz RVROEOCJCFBGFY-ZDUSSCGKSA-N -1 3 285.746 3.308 20 0 CGADHM CC(C)(C)NC(=S)Nc1ccc([O-])c(Cl)c1 ZINC000168931224 799086750 /nfs/dbraw/zinc/08/67/50/799086750.db2.gz MRWRCCIXWFHYOD-UHFFFAOYSA-N -1 3 258.774 3.131 20 0 CGADHM COc1ccc([O-])c(-c2nc(-c3cnc(C)cc3C)no2)c1 ZINC000397399252 799516822 /nfs/dbraw/zinc/51/68/22/799516822.db2.gz CFEIZVWDIMNXHI-UHFFFAOYSA-N -1 3 297.314 3.130 20 0 CGADHM C[C@@H]1CC[C@H](NC(=O)c2cc([O-])cc(Br)c2)C1 ZINC000700839675 799881913 /nfs/dbraw/zinc/88/19/13/799881913.db2.gz RBJNUBDVNZNBRA-KCJUWKMLSA-N -1 3 298.180 3.073 20 0 CGADHM CCc1cccc(C(=O)N2CC(F)(F)CC[C@H]2C)c1[O-] ZINC001120821395 802783276 /nfs/dbraw/zinc/78/32/76/802783276.db2.gz IKBFQJPOYFHDKV-SNVBAGLBSA-N -1 3 283.318 3.214 20 0 CGADHM CC(C)(C)NC(=S)Nc1nc2c(cccc2[O-])s1 ZINC001200892791 811761201 /nfs/dbraw/zinc/76/12/01/811761201.db2.gz HIHCCSLLAINJDW-UHFFFAOYSA-N -1 3 281.406 3.087 20 0 CGADHM O=C(O[C@@H]1C=CCC1)c1cccc2[n-]c(C(F)F)nc21 ZINC001122798108 802887328 /nfs/dbraw/zinc/88/73/28/802887328.db2.gz LSXAGGBPPIIGMH-MRVPVSSYSA-N -1 3 278.258 3.376 20 0 CGADHM Cc1nc2cc(-c3cccc(-c4nnn[n-]4)c3)ccc2s1 ZINC001243937327 803087987 /nfs/dbraw/zinc/08/79/87/803087987.db2.gz LVFDGLDQAKLHCX-UHFFFAOYSA-N -1 3 293.355 3.452 20 0 CGADHM Cc1nc2cc(-c3cccc(-c4nn[n-]n4)c3)ccc2s1 ZINC001243937327 803087994 /nfs/dbraw/zinc/08/79/94/803087994.db2.gz LVFDGLDQAKLHCX-UHFFFAOYSA-N -1 3 293.355 3.452 20 0 CGADHM Cc1nc2ccc(-c3ccc(F)c(-c4nnn[n-]4)c3)cc2o1 ZINC001243963190 803103715 /nfs/dbraw/zinc/10/37/15/803103715.db2.gz DJMUDEYHYJCPEK-UHFFFAOYSA-N -1 3 295.277 3.122 20 0 CGADHM Cc1nc2ccc(-c3ccc(F)c(-c4nn[n-]n4)c3)cc2o1 ZINC001243963190 803103718 /nfs/dbraw/zinc/10/37/18/803103718.db2.gz DJMUDEYHYJCPEK-UHFFFAOYSA-N -1 3 295.277 3.122 20 0 CGADHM O=c1ccc(-c2c([O-])cccc2Cl)nn1-c1ccccc1 ZINC001244048470 803160716 /nfs/dbraw/zinc/16/07/16/803160716.db2.gz OYCDZEONHZIISP-UHFFFAOYSA-N -1 3 298.729 3.259 20 0 CGADHM CC(=O)Nc1ccc(-c2c([O-])cccc2Cl)cn1 ZINC001244050299 803161865 /nfs/dbraw/zinc/16/18/65/803161865.db2.gz LBMLOEQZWBOYOF-UHFFFAOYSA-N -1 3 262.696 3.066 20 0 CGADHM [O-]c1ccc(OC(F)(F)F)cc1-c1ccc(F)cn1 ZINC001244456866 803378673 /nfs/dbraw/zinc/37/86/73/803378673.db2.gz TVVSNCHNAQIWRD-UHFFFAOYSA-N -1 3 273.185 3.492 20 0 CGADHM CC(C)Oc1ncc(-c2ccc(Cl)cc2[O-])cn1 ZINC001244471635 803386892 /nfs/dbraw/zinc/38/68/92/803386892.db2.gz JPCWQIGJFYZRIQ-UHFFFAOYSA-N -1 3 264.712 3.290 20 0 CGADHM Cc1nc2cc(-c3ccc(Cl)cc3[O-])ccn2n1 ZINC001244471807 803387416 /nfs/dbraw/zinc/38/74/16/803387416.db2.gz JJYLXXKXTIDGNC-UHFFFAOYSA-N -1 3 259.696 3.064 20 0 CGADHM Cc1cc(-c2nccc3ccncc32)cc([O-])c1F ZINC001244495654 803404198 /nfs/dbraw/zinc/40/41/98/803404198.db2.gz GXFVLFIULCAQPU-UHFFFAOYSA-N -1 3 254.264 3.450 20 0 CGADHM CCOC(=O)c1c(C)ccnc1-c1cc(C)c(F)c([O-])c1 ZINC001244507485 803411515 /nfs/dbraw/zinc/41/15/15/803411515.db2.gz NQEYHUZJGOWDHX-UHFFFAOYSA-N -1 3 289.306 3.387 20 0 CGADHM COc1cccc2ncnc(-c3cc(C)c(F)c([O-])c3)c21 ZINC001244509064 803411767 /nfs/dbraw/zinc/41/17/67/803411767.db2.gz ZJGVLNQUIVKMAZ-UHFFFAOYSA-N -1 3 284.290 3.459 20 0 CGADHM Cc1cc(-c2ccc(N3CCCC3=O)nc2)cc([O-])c1F ZINC001244520835 803415053 /nfs/dbraw/zinc/41/50/53/803415053.db2.gz MUKIZUZMBNRNKU-UHFFFAOYSA-N -1 3 286.306 3.029 20 0 CGADHM Cc1cc(-c2cccn(C(C)C)c2=O)cc([O-])c1F ZINC001244525634 803418274 /nfs/dbraw/zinc/41/82/74/803418274.db2.gz QGXKIELUOQKQMG-UHFFFAOYSA-N -1 3 261.296 3.249 20 0 CGADHM COc1ccnc2cc(-c3cc(C)c(F)c([O-])c3)cnc21 ZINC001244525759 803418931 /nfs/dbraw/zinc/41/89/31/803418931.db2.gz QKPHFIXABRRLRR-UHFFFAOYSA-N -1 3 284.290 3.459 20 0 CGADHM CCCOc1ccnc(-c2ccc([O-])cc2Cl)n1 ZINC001245079869 803635113 /nfs/dbraw/zinc/63/51/13/803635113.db2.gz QYBHZHOBBWOTQJ-UHFFFAOYSA-N -1 3 264.712 3.291 20 0 CGADHM COC(=O)c1cc(F)ncc1-c1ccc([O-])cc1Cl ZINC001245081269 803636266 /nfs/dbraw/zinc/63/62/66/803636266.db2.gz BXEBTVZZFPJRAB-UHFFFAOYSA-N -1 3 281.670 3.033 20 0 CGADHM O=c1ccc(-c2ccc([O-])cc2Cl)nn1CC1CCC1 ZINC001245083767 803637832 /nfs/dbraw/zinc/63/78/32/803637832.db2.gz UVUNJYHVUGFLLU-UHFFFAOYSA-N -1 3 290.750 3.069 20 0 CGADHM Cc1c(C(=O)[O-])cccc1-c1ccc(CN(C)C2CC2)cn1 ZINC001245296309 803693426 /nfs/dbraw/zinc/69/34/26/803693426.db2.gz FITHOPVYEKUBQY-UHFFFAOYSA-N -1 3 296.370 3.349 20 0 CGADHM FC(F)(F)Cn1cc(-c2ccc3c(c2)[N-]C(=S)C3)cn1 ZINC001245388365 803721249 /nfs/dbraw/zinc/72/12/49/803721249.db2.gz TZNLYBMBKVQUIZ-UHFFFAOYSA-N -1 3 297.305 3.408 20 0 CGADHM [O-]c1ccc(Nc2nc(F)c(F)cc2F)c(F)c1F ZINC001212000083 814964415 /nfs/dbraw/zinc/96/44/15/814964415.db2.gz MLUBRQVOXKWEMQ-UHFFFAOYSA-N -1 3 276.164 3.226 20 0 CGADHM COc1ccc(C(=O)N2CCCCC[C@H]2C(C)C)c([O-])c1 ZINC001137857654 803786523 /nfs/dbraw/zinc/78/65/23/803786523.db2.gz XCBOCOGEUMEDBW-HNNXBMFYSA-N -1 3 291.391 3.442 20 0 CGADHM Cc1cc(N)c(F)cc1Nc1ccc([O-])c(F)c1F ZINC001212013796 814967041 /nfs/dbraw/zinc/96/70/41/814967041.db2.gz KFPFGBVLCFVOHL-UHFFFAOYSA-N -1 3 268.238 3.444 20 0 CGADHM O=C1CCc2ccc(Nc3ccc([O-])c(F)c3F)cc2N1 ZINC001212009456 814967109 /nfs/dbraw/zinc/96/71/09/814967109.db2.gz PIVATGWSJHMJSS-UHFFFAOYSA-N -1 3 290.269 3.299 20 0 CGADHM O=c1cc(-c2c([O-])cccc2F)ccn1-c1ccc(F)cc1 ZINC001245653471 803884551 /nfs/dbraw/zinc/88/45/51/803884551.db2.gz DLWONQBTDBRPQG-UHFFFAOYSA-N -1 3 299.276 3.488 20 0 CGADHM CC1(C)C(=O)Nc2ccc(-c3c([O-])cccc3F)cc21 ZINC001245656498 803889630 /nfs/dbraw/zinc/88/96/30/803889630.db2.gz SGNVGIZPQOXUPT-UHFFFAOYSA-N -1 3 271.291 3.428 20 0 CGADHM O=C1NCCC/C1=C\c1cccc(-c2c([O-])cccc2F)c1 ZINC001245656820 803890219 /nfs/dbraw/zinc/89/02/19/803890219.db2.gz ONJOYOOIYRLFDJ-SDNWHVSQSA-N -1 3 297.329 3.492 20 0 CGADHM COC(=O)[C@H](C)c1cccc(-c2c([O-])cccc2F)c1 ZINC001245657676 803891711 /nfs/dbraw/zinc/89/17/11/803891711.db2.gz QTSYQUXJCRHCLT-SNVBAGLBSA-N -1 3 274.291 3.475 20 0 CGADHM CCOc1ncc(-c2c([O-])cccc2F)cc1OC ZINC001245657435 803892595 /nfs/dbraw/zinc/89/25/95/803892595.db2.gz NIZKZXHHCOJMDD-UHFFFAOYSA-N -1 3 263.268 3.001 20 0 CGADHM [O-]c1cccnc1CN1CCC[C@H]1c1c(F)cccc1F ZINC001138396321 803912666 /nfs/dbraw/zinc/91/26/66/803912666.db2.gz QQDWKIFVOJKKTA-AWEZNQCLSA-N -1 3 290.313 3.403 20 0 CGADHM Cc1ccc(-c2ccc(Cl)nc2C)cc1-c1nnn[n-]1 ZINC001245776803 803956638 /nfs/dbraw/zinc/95/66/38/803956638.db2.gz RCTOZRHAQPWZFZ-UHFFFAOYSA-N -1 3 285.738 3.199 20 0 CGADHM Cc1ccc(-c2ccc(Cl)nc2C)cc1-c1nn[n-]n1 ZINC001245776803 803956652 /nfs/dbraw/zinc/95/66/52/803956652.db2.gz RCTOZRHAQPWZFZ-UHFFFAOYSA-N -1 3 285.738 3.199 20 0 CGADHM CCOC(=O)c1nc(C)sc1[N-]c1cnc(C)s1 ZINC001212126218 814979866 /nfs/dbraw/zinc/97/98/66/814979866.db2.gz UDSOKAOIAAGMCC-UHFFFAOYSA-N -1 3 283.378 3.137 20 0 CGADHM [O-]c1ccc(F)c(-c2cccc3cncn32)c1Cl ZINC001245831390 803987321 /nfs/dbraw/zinc/98/73/21/803987321.db2.gz KWMGERMOOLJYHP-UHFFFAOYSA-N -1 3 262.671 3.499 20 0 CGADHM Cc1nonc1[N-]c1cc(F)c(F)cc1OC(C)C ZINC001212222242 814993841 /nfs/dbraw/zinc/99/38/41/814993841.db2.gz KWXSYOHQUSRPDJ-UHFFFAOYSA-N -1 3 269.251 3.187 20 0 CGADHM CCN(Cc1ccncc1[O-])Cc1cccc(F)c1F ZINC001140281314 804406589 /nfs/dbraw/zinc/40/65/89/804406589.db2.gz AFLOYFSRGSORGC-UHFFFAOYSA-N -1 3 278.302 3.088 20 0 CGADHM CC1CC(N(C)Cc2cccc([O-])c2Br)C1 ZINC001140547954 804457819 /nfs/dbraw/zinc/45/78/19/804457819.db2.gz XTLSYDWNGWWAMT-UHFFFAOYSA-N -1 3 284.197 3.385 20 0 CGADHM CN(CCc1cccc(F)c1)Cc1ccc([O-])c(F)c1F ZINC001140892485 804542065 /nfs/dbraw/zinc/54/20/65/804542065.db2.gz PDFLFUCLAGFEOU-UHFFFAOYSA-N -1 3 295.304 3.484 20 0 CGADHM [O-]c1ccc(CN2CCCCCCC2)c(F)c1F ZINC001140892888 804543534 /nfs/dbraw/zinc/54/35/34/804543534.db2.gz CISWULLIECUNLO-UHFFFAOYSA-N -1 3 255.308 3.437 20 0 CGADHM [O-]c1ccc(CN2CC[C@H](c3ccccn3)C2)c(F)c1F ZINC001140894108 804545453 /nfs/dbraw/zinc/54/54/53/804545453.db2.gz QMXLIXHGKGUZPJ-NSHDSACASA-N -1 3 290.313 3.055 20 0 CGADHM [O-]c1c(F)cc(CN2CCC[C@H](C(F)F)C2)cc1F ZINC001140991696 804564372 /nfs/dbraw/zinc/56/43/72/804564372.db2.gz VKJIQKBEWMNTQQ-VIFPVBQESA-N -1 3 277.261 3.148 20 0 CGADHM Cc1cc(C)nc(C(=O)Nc2c([O-])cccc2Cl)c1 ZINC001141469106 804644164 /nfs/dbraw/zinc/64/41/64/804644164.db2.gz JBNOLWIARRWZHD-UHFFFAOYSA-N -1 3 276.723 3.310 20 0 CGADHM COc1cc(Cl)nc(Nc2cc(F)cc(F)c2[O-])c1 ZINC001212481858 815035834 /nfs/dbraw/zinc/03/58/34/815035834.db2.gz NCIFWVRCLQRGOH-UHFFFAOYSA-N -1 3 286.665 3.471 20 0 CGADHM [O-]c1cc(Cl)c(CN2C[C@@H]3C[C@@H]3C2)c(Cl)c1 ZINC001142105964 804694845 /nfs/dbraw/zinc/69/48/45/804694845.db2.gz UJXHQUSRSAPFAA-OCAPTIKFSA-N -1 3 258.148 3.151 20 0 CGADHM [O-]c1cc(Cl)c(CN2CC3(C2)CCCO3)c(Cl)c1 ZINC001142105457 804695256 /nfs/dbraw/zinc/69/52/56/804695256.db2.gz AUKYWLJQPSJTQA-UHFFFAOYSA-N -1 3 288.174 3.064 20 0 CGADHM CSc1cncc(NC(=O)c2c(C)cccc2[O-])c1 ZINC001142554589 804738488 /nfs/dbraw/zinc/73/84/88/804738488.db2.gz XXDZOXUCGFAOLV-UHFFFAOYSA-N -1 3 274.345 3.070 20 0 CGADHM [O-]c1c(F)cc(F)cc1Nc1cn(CC2CCC2)cn1 ZINC001212484298 815037519 /nfs/dbraw/zinc/03/75/19/815037519.db2.gz WDXNJFZTBRIBMX-UHFFFAOYSA-N -1 3 279.290 3.411 20 0 CGADHM CC(=O)c1cccc(Nc2cc(F)cc(F)c2[O-])n1 ZINC001212484217 815037779 /nfs/dbraw/zinc/03/77/79/815037779.db2.gz QYWDXWLOPRUSGE-UHFFFAOYSA-N -1 3 264.231 3.012 20 0 CGADHM Cc1cc(-c2noc(Cc3ccc([O-])cc3F)n2)cc(C)n1 ZINC001248142817 804885999 /nfs/dbraw/zinc/88/59/99/804885999.db2.gz BCADRJKAKPEMKO-UHFFFAOYSA-N -1 3 299.305 3.184 20 0 CGADHM [O-]c1ccc(Cc2nc(-c3ccccc3F)no2)c(F)c1 ZINC001248142665 804886462 /nfs/dbraw/zinc/88/64/62/804886462.db2.gz VCXKMHCAMHQDBJ-UHFFFAOYSA-N -1 3 288.253 3.311 20 0 CGADHM C[C@H]1C[C@H](C)CN(Cc2c(F)cc([O-])cc2F)C1 ZINC001144559108 805002976 /nfs/dbraw/zinc/00/29/76/805002976.db2.gz INIKXZKFLMNUAP-UWVGGRQHSA-N -1 3 255.308 3.148 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)Nc1ccc(C(F)F)cn1 ZINC001144623019 805013844 /nfs/dbraw/zinc/01/38/44/805013844.db2.gz GKNOATMLDIOCDF-UHFFFAOYSA-N -1 3 296.248 3.045 20 0 CGADHM C[C@H]1CCCCN(Cc2cc(F)c([O-])cc2F)C1 ZINC001144648761 805020942 /nfs/dbraw/zinc/02/09/42/805020942.db2.gz WRBVGIAGXGFVGC-JTQLQIEISA-N -1 3 255.308 3.292 20 0 CGADHM C[C@@H]1CCCCN(Cc2cc(F)c([O-])cc2F)C1 ZINC001144648767 805023038 /nfs/dbraw/zinc/02/30/38/805023038.db2.gz WRBVGIAGXGFVGC-SNVBAGLBSA-N -1 3 255.308 3.292 20 0 CGADHM CN(CCc1cccc(F)c1)Cc1cc(F)c([O-])cc1F ZINC001144659723 805026321 /nfs/dbraw/zinc/02/63/21/805026321.db2.gz PVJXIUFKYQHYQC-UHFFFAOYSA-N -1 3 295.304 3.484 20 0 CGADHM O=C([O-])c1ccsc1CN1CCC[C@@H]1c1ccncc1 ZINC001144677868 805030139 /nfs/dbraw/zinc/03/01/39/805030139.db2.gz FYEZLLKBKHPRMG-CYBMUJFWSA-N -1 3 288.372 3.178 20 0 CGADHM O=C(CCCc1c[nH]c2ccccc12)Nc1cncc([O-])c1 ZINC001144967331 805061739 /nfs/dbraw/zinc/06/17/39/805061739.db2.gz FJIAHBYZTYFEDP-UHFFFAOYSA-N -1 3 295.342 3.230 20 0 CGADHM COc1cccc([O-])c1C(=O)NCC[C@H]1CCCC[C@@H]1C ZINC001146712312 805082571 /nfs/dbraw/zinc/08/25/71/805082571.db2.gz UQZISRPQTHLCIA-QWHCGFSZSA-N -1 3 291.391 3.347 20 0 CGADHM Cc1ccc(C(=O)C(=O)Nc2ccc([O-])cc2Cl)cc1 ZINC001147084414 805107198 /nfs/dbraw/zinc/10/71/98/805107198.db2.gz AIQBFLKYSWHNIC-UHFFFAOYSA-N -1 3 289.718 3.175 20 0 CGADHM CCCC[C@H](COC)NC(=O)c1ccc(C(C)C)cc1[O-] ZINC001147243970 805117642 /nfs/dbraw/zinc/11/76/42/805117642.db2.gz QZVFHSMFMFJRST-CQSZACIVSA-N -1 3 293.407 3.451 20 0 CGADHM Cc1ccc(C(=O)Nc2cc([O-])cc(Cl)c2)nc1 ZINC001147450675 805130598 /nfs/dbraw/zinc/13/05/98/805130598.db2.gz RLFSKBPRCQTMLX-UHFFFAOYSA-N -1 3 262.696 3.001 20 0 CGADHM CC(C)c1cc(C(=O)Nc2cc([O-])cc(Cl)c2)no1 ZINC001147486747 805132713 /nfs/dbraw/zinc/13/27/13/805132713.db2.gz JACZFIVOIRZKKV-UHFFFAOYSA-N -1 3 280.711 3.409 20 0 CGADHM CC(=O)c1ccc(C(=O)Nc2cccc(F)c2C)cc1[O-] ZINC001147887903 805156241 /nfs/dbraw/zinc/15/62/41/805156241.db2.gz GAXKHXCXTWFCIS-UHFFFAOYSA-N -1 3 287.290 3.295 20 0 CGADHM CC(=O)c1cccc([O-])c1NC(=O)c1ccc(C)cc1C ZINC001148253215 805170718 /nfs/dbraw/zinc/17/07/18/805170718.db2.gz YZQDJCZYSCAYRF-UHFFFAOYSA-N -1 3 283.327 3.464 20 0 CGADHM COc1cc2ccccc2cc1[N-]c1nnc(C)o1 ZINC001249551901 805174464 /nfs/dbraw/zinc/17/44/64/805174464.db2.gz SJMYZSUTVNCDLZ-UHFFFAOYSA-N -1 3 255.277 3.283 20 0 CGADHM Cc1cccc(C2(NC(=O)c3ccc(C)cc3[O-])CC2)c1 ZINC001148507710 805193476 /nfs/dbraw/zinc/19/34/76/805193476.db2.gz UGNMSKLPAZIGIU-UHFFFAOYSA-N -1 3 281.355 3.428 20 0 CGADHM O=C(Nc1cncc([O-])c1)c1ccc2c(Cl)ccnc2c1 ZINC001153337260 805392674 /nfs/dbraw/zinc/39/26/74/805392674.db2.gz JVCQFIKRDFQDFV-UHFFFAOYSA-N -1 3 299.717 3.241 20 0 CGADHM Nc1c(Cl)cc(F)cc1C(=O)Nc1cc(F)ccc1[O-] ZINC001153468329 805398818 /nfs/dbraw/zinc/39/88/18/805398818.db2.gz OTBQNQFYLOAQLN-UHFFFAOYSA-N -1 3 298.676 3.158 20 0 CGADHM CSc1ccc(F)c(Nc2cc(=O)[n-]c(=S)[nH]2)c1 ZINC001250120138 805427603 /nfs/dbraw/zinc/42/76/03/805427603.db2.gz PRKCERHSIKWNLG-UHFFFAOYSA-N -1 3 283.353 3.076 20 0 CGADHM O=C([N-]c1nsc2ncccc12)c1onc2ccccc21 ZINC001154372344 805452345 /nfs/dbraw/zinc/45/23/45/805452345.db2.gz GGIMTROXTUTRFL-UHFFFAOYSA-N -1 3 296.311 3.085 20 0 CGADHM Cc1ccc2ncc([O-])c(C(=O)N3CCC34CCCC4)c2c1 ZINC001154529052 805461741 /nfs/dbraw/zinc/46/17/41/805461741.db2.gz AOHQBXBJXWYJBH-UHFFFAOYSA-N -1 3 296.370 3.408 20 0 CGADHM [O-]c1cc(Nc2ccnc3cccnc32)ccc1Cl ZINC001212589373 815078375 /nfs/dbraw/zinc/07/83/75/815078375.db2.gz IHCHCCBKMDNJJI-UHFFFAOYSA-N -1 3 271.707 3.154 20 0 CGADHM [O-]c1cc(F)c(CCN2CCCCC2)cc1Cl ZINC001250242618 805515943 /nfs/dbraw/zinc/51/59/43/805515943.db2.gz WTLCIUMLCYZGEB-UHFFFAOYSA-N -1 3 257.736 3.213 20 0 CGADHM COC(=O)c1cccc(Cc2cccc([O-])c2Cl)c1 ZINC001250192904 805480557 /nfs/dbraw/zinc/48/05/57/805480557.db2.gz YXEPKRXMJHHJOO-UHFFFAOYSA-N -1 3 276.719 3.423 20 0 CGADHM COc1ccc(Nc2ccc(Cl)c([O-])c2)c(OC)n1 ZINC001212589595 815078923 /nfs/dbraw/zinc/07/89/23/815078923.db2.gz UDWXYQRVOWNNDI-UHFFFAOYSA-N -1 3 280.711 3.201 20 0 CGADHM Cc1cc(C(N)=O)c(Nc2ccc(Cl)c([O-])c2)s1 ZINC001212589306 815078957 /nfs/dbraw/zinc/07/89/57/815078957.db2.gz FIMJFKSOYWGCRH-UHFFFAOYSA-N -1 3 282.752 3.258 20 0 CGADHM CCOC(=O)c1ncsc1Nc1ccc(Cl)c([O-])c1 ZINC001212590532 815079012 /nfs/dbraw/zinc/07/90/12/815079012.db2.gz QPADLIOYJGSMSK-UHFFFAOYSA-N -1 3 298.751 3.422 20 0 CGADHM COC(=O)c1scnc1Nc1ccc(Cl)c([O-])c1 ZINC001212589217 815079048 /nfs/dbraw/zinc/07/90/48/815079048.db2.gz AMPYASZXORPZCE-UHFFFAOYSA-N -1 3 284.724 3.032 20 0 CGADHM Nc1cccc(Nc2ccc(Cl)c([O-])c2)c1O ZINC001212595376 815081230 /nfs/dbraw/zinc/08/12/30/815081230.db2.gz QFULRDIAGNNWJC-UHFFFAOYSA-N -1 3 250.685 3.077 20 0 CGADHM CC(C)(C)Cc1nnc(Cc2ccc([O-])c(F)c2)o1 ZINC001257834265 807224300 /nfs/dbraw/zinc/22/43/00/807224300.db2.gz CLQONNMVZXFCID-UHFFFAOYSA-N -1 3 264.300 3.094 20 0 CGADHM Cc1ccc(-c2noc(-c3cncc([O-])c3)n2)c(Cl)c1 ZINC001212708268 815109399 /nfs/dbraw/zinc/10/93/99/815109399.db2.gz CGPHGPFUSRGDHR-UHFFFAOYSA-N -1 3 287.706 3.466 20 0 CGADHM [O-]c1cncc(-c2nc(-c3ccc4occc4c3)no2)c1 ZINC001212708705 815110293 /nfs/dbraw/zinc/11/02/93/815110293.db2.gz PRVQBVQEVBTNJE-UHFFFAOYSA-N -1 3 279.255 3.250 20 0 CGADHM Cc1nocc1[N-]c1nc(F)cc(C(F)(F)F)c1F ZINC001212717376 815112085 /nfs/dbraw/zinc/11/20/85/815112085.db2.gz BOTKRGVHDITSTR-UHFFFAOYSA-N -1 3 279.168 3.419 20 0 CGADHM Cc1cccc([O-])c1-c1nnc(CC2CCCC2)o1 ZINC001258691379 807547250 /nfs/dbraw/zinc/54/72/50/807547250.db2.gz XEUWBFGXASZYGK-UHFFFAOYSA-N -1 3 258.321 3.483 20 0 CGADHM Cc1ccc(F)c([N-]S(=O)(=O)Cc2ccccc2F)c1 ZINC001260627075 807697883 /nfs/dbraw/zinc/69/78/83/807697883.db2.gz AWGFWPVNBGFHLI-UHFFFAOYSA-N -1 3 297.326 3.215 20 0 CGADHM [O-]c1cccnc1CNc1cc(Cl)ccc1F ZINC001169730619 807699660 /nfs/dbraw/zinc/69/96/60/807699660.db2.gz DUGIPXRGLGCQKJ-UHFFFAOYSA-N -1 3 252.676 3.192 20 0 CGADHM Cc1ccc2cccc(NCc3ncccc3[O-])c2n1 ZINC001169730786 807699972 /nfs/dbraw/zinc/69/99/72/807699972.db2.gz IHIOGAGGHWQMEK-UHFFFAOYSA-N -1 3 265.316 3.256 20 0 CGADHM [O-]c1cccnc1CNc1cccc(-n2cccc2)c1 ZINC001169732816 807701618 /nfs/dbraw/zinc/70/16/18/807701618.db2.gz MFFWKWPAWMGJLI-UHFFFAOYSA-N -1 3 265.316 3.190 20 0 CGADHM Cc1ccc2c(cccc2Nc2cc(=O)[n-]c(C)n2)n1 ZINC001212795243 815141038 /nfs/dbraw/zinc/14/10/38/815141038.db2.gz WWOWTCFUKJWKBI-UHFFFAOYSA-N -1 3 266.304 3.091 20 0 CGADHM S=C1Cc2ccc(NCc3nccc(Cl)n3)cc2[N-]1 ZINC001170548022 807854193 /nfs/dbraw/zinc/85/41/93/807854193.db2.gz CPGSNJDCQURGKM-UHFFFAOYSA-N -1 3 290.779 3.038 20 0 CGADHM Cc1coc(C(=O)[N-]c2nnc(-c3ccccc3)s2)c1 ZINC001264248880 808053872 /nfs/dbraw/zinc/05/38/72/808053872.db2.gz IOGXGYMLGAWZFM-UHFFFAOYSA-N -1 3 285.328 3.359 20 0 CGADHM Cc1ncc(Nc2c3cc[nH]c3c(F)cc2C)c(=O)[n-]1 ZINC001212974383 815193126 /nfs/dbraw/zinc/19/31/26/815193126.db2.gz WMZDYUSTIGUWJM-UHFFFAOYSA-N -1 3 272.283 3.163 20 0 CGADHM CC(=O)c1ccc(Nc2ncc(Cl)cc2[O-])cc1 ZINC001173895383 808747700 /nfs/dbraw/zinc/74/77/00/808747700.db2.gz BXRWEIOSASATLR-UHFFFAOYSA-N -1 3 262.696 3.387 20 0 CGADHM COc1ccc(OC)c(Nc2c(F)cc([O-])cc2F)c1 ZINC001173920163 808760826 /nfs/dbraw/zinc/76/08/26/808760826.db2.gz JHQKWCDKNYMUOM-UHFFFAOYSA-N -1 3 281.258 3.431 20 0 CGADHM Cc1ccc(Nc2cc(=O)[n-]c(C3CC3)n2)cc1F ZINC001174020110 808827225 /nfs/dbraw/zinc/82/72/25/808827225.db2.gz XWXKKWKTCPBMGG-UHFFFAOYSA-N -1 3 259.284 3.251 20 0 CGADHM CC(=O)NCc1cccc(Nc2cc([O-])c(F)cc2F)c1 ZINC001174369203 808979411 /nfs/dbraw/zinc/97/94/11/808979411.db2.gz OMIIBRVDFPDKIM-UHFFFAOYSA-N -1 3 292.285 3.050 20 0 CGADHM [O-]c1c(F)cc(Nc2cnn([C@@H]3CCCCO3)c2)cc1F ZINC001174605344 809099709 /nfs/dbraw/zinc/09/97/09/809099709.db2.gz JWGDRVLMEUUTQC-ZDUSSCGKSA-N -1 3 295.289 3.310 20 0 CGADHM c1nnc([N-]c2ccc(Oc3cccnc3)cc2)o1 ZINC001174846485 809178171 /nfs/dbraw/zinc/17/81/71/809178171.db2.gz HMXGGVAJFJLLMD-UHFFFAOYSA-N -1 3 254.249 3.001 20 0 CGADHM O=C1OCc2cc(Nc3cc(F)c([O-])c(F)c3)ccc21 ZINC001213379311 815273208 /nfs/dbraw/zinc/27/32/08/815273208.db2.gz NNJJCIVNTJIPKI-UHFFFAOYSA-N -1 3 277.226 3.084 20 0 CGADHM O=C1CCc2cc(Nc3c(F)cc([O-])cc3F)ccc2N1 ZINC001175098149 809270045 /nfs/dbraw/zinc/27/00/45/809270045.db2.gz ZKZXFJLWMJJGMZ-UHFFFAOYSA-N -1 3 290.269 3.299 20 0 CGADHM COC(=O)c1cc(F)cc(Nc2c(F)cc([O-])cc2F)c1 ZINC001175097097 809270222 /nfs/dbraw/zinc/27/02/22/809270222.db2.gz PCBZEVDNCZQTTR-UHFFFAOYSA-N -1 3 297.232 3.340 20 0 CGADHM COc1cc(C)c(Nc2cc(=O)[n-]c(C3CC3)n2)cc1C ZINC001175111006 809276585 /nfs/dbraw/zinc/27/65/85/809276585.db2.gz MRMPVNDRRARAFF-UHFFFAOYSA-N -1 3 285.347 3.429 20 0 CGADHM Cc1cc(C)nc(Nc2c(F)ccc([O-])c2F)c1 ZINC001175261791 809328099 /nfs/dbraw/zinc/32/80/99/809328099.db2.gz PXCZUNJPMRQDJL-UHFFFAOYSA-N -1 3 250.248 3.426 20 0 CGADHM Cc1cn2cccc(Nc3c(F)ccc([O-])c3F)c2n1 ZINC001175262269 809328231 /nfs/dbraw/zinc/32/82/31/809328231.db2.gz AVXDSRSZWJESFI-UHFFFAOYSA-N -1 3 275.258 3.370 20 0 CGADHM CN(C)c1ccc(Nc2c(F)ccc([O-])c2F)cc1 ZINC001175266311 809331092 /nfs/dbraw/zinc/33/10/92/809331092.db2.gz WYDMPQPXRWYBGH-UHFFFAOYSA-N -1 3 264.275 3.480 20 0 CGADHM [O-]c1ccc(F)c(Nc2c(O)cccc2F)c1F ZINC001175266358 809331117 /nfs/dbraw/zinc/33/11/17/809331117.db2.gz YAQBQEWGAKKAMW-UHFFFAOYSA-N -1 3 255.195 3.259 20 0 CGADHM COC(=O)c1ccc(Nc2c(F)ccc([O-])c2F)cc1 ZINC001175265328 809331273 /nfs/dbraw/zinc/33/12/73/809331273.db2.gz LTIKTAGFNHBSKT-UHFFFAOYSA-N -1 3 279.242 3.201 20 0 CGADHM CC(=O)Nc1ccccc1Nc1c(F)ccc([O-])c1F ZINC001175268189 809332145 /nfs/dbraw/zinc/33/21/45/809332145.db2.gz JSUCAKUMSJEIAU-UHFFFAOYSA-N -1 3 278.258 3.372 20 0 CGADHM Cc1cc(N)c(F)cc1Nc1c(F)ccc([O-])c1F ZINC001175269120 809334021 /nfs/dbraw/zinc/33/40/21/809334021.db2.gz CSCSWWIAGZEFGP-UHFFFAOYSA-N -1 3 268.238 3.444 20 0 CGADHM Cc1ccc(Nc2cc(=O)[n-]c(C3CC3)n2)c(F)c1 ZINC001175321258 809353816 /nfs/dbraw/zinc/35/38/16/809353816.db2.gz WCRFRVMRMJCKID-UHFFFAOYSA-N -1 3 259.284 3.251 20 0 CGADHM CC[C@@H](CC(=O)Nc1n[n-]c(-c2ccco2)n1)C(C)(C)C ZINC001289107106 809376248 /nfs/dbraw/zinc/37/62/48/809376248.db2.gz MZPFELPSSNFVQV-JTQLQIEISA-N -1 3 290.367 3.466 20 0 CGADHM c1cc(-c2nn[n-]n2)ccc1Nc1cncc(C2CCC2)c1 ZINC001175428082 809401464 /nfs/dbraw/zinc/40/14/64/809401464.db2.gz VBOPIXNFYVJRJI-UHFFFAOYSA-N -1 3 292.346 3.273 20 0 CGADHM CCOc1ccc(Nc2ccc(-c3nn[n-]n3)cc2)c(F)c1 ZINC001175430491 809401848 /nfs/dbraw/zinc/40/18/48/809401848.db2.gz ULAYUGIJKAQDNF-UHFFFAOYSA-N -1 3 299.309 3.148 20 0 CGADHM Fc1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1Cl ZINC001175428050 809401866 /nfs/dbraw/zinc/40/18/66/809401866.db2.gz DABVPNMDECRZIS-UHFFFAOYSA-N -1 3 289.701 3.403 20 0 CGADHM Cc1ncc(Nc2cccc(C3CC3)c2C)c(=O)[n-]1 ZINC001213473164 815288030 /nfs/dbraw/zinc/28/80/30/815288030.db2.gz QARBGTSGFPEBLT-UHFFFAOYSA-N -1 3 255.321 3.420 20 0 CGADHM Cc1nc([N-]c2cncs2)nc(C)c1Br ZINC001175495550 809429824 /nfs/dbraw/zinc/42/98/24/809429824.db2.gz JRXIQURTMYMIKM-UHFFFAOYSA-N -1 3 285.170 3.056 20 0 CGADHM CCc1cccc(Nc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC001175550597 809447373 /nfs/dbraw/zinc/44/73/73/809447373.db2.gz BJHZYSMPHBDHBA-UHFFFAOYSA-N -1 3 255.321 3.366 20 0 CGADHM Fc1ccc(-c2noc(-c3cc(Cl)n[n-]3)n2)cc1F ZINC001213498191 815291492 /nfs/dbraw/zinc/29/14/92/815291492.db2.gz BAHGQGLGMVLKLR-UHFFFAOYSA-N -1 3 282.637 3.058 20 0 CGADHM CCOc1ccc(Nc2cc(=O)n(-c3ccccc3)[n-]2)cn1 ZINC001175739100 809525481 /nfs/dbraw/zinc/52/54/81/809525481.db2.gz ANEQCOGVUIQRBV-UHFFFAOYSA-N -1 3 296.330 3.115 20 0 CGADHM CC[C@@H]1CCCC[C@@H]1CNC(=O)c1ccc(OC)cc1[O-] ZINC001298623209 809535832 /nfs/dbraw/zinc/53/58/32/809535832.db2.gz IHOHHGLPBDQPFG-CHWSQXEVSA-N -1 3 291.391 3.347 20 0 CGADHM O=c1cc(Nc2ccc3scnc3c2)nc(C2CC2)[n-]1 ZINC001175911402 809569826 /nfs/dbraw/zinc/56/98/26/809569826.db2.gz LSBCZIDCIYFWFZ-UHFFFAOYSA-N -1 3 284.344 3.413 20 0 CGADHM Cc1c2c(=N)ncnc-2[n-]n1C1=CC(C)(C)CC(C)(C)C1 ZINC001175946105 809578675 /nfs/dbraw/zinc/57/86/75/809578675.db2.gz OWQDJYOUECDQNV-UHFFFAOYSA-N -1 3 285.395 3.186 20 0 CGADHM COc1cccc(C[C@@H](C)CC(=O)[N-]OCC2CCC2)c1 ZINC001301102244 809579181 /nfs/dbraw/zinc/57/91/81/809579181.db2.gz BPNBOMAIBLGNLK-CYBMUJFWSA-N -1 3 291.391 3.112 20 0 CGADHM Cc1ccc(C(=O)NCc2ccc3cccnc3c2)c([O-])c1 ZINC001302365848 809593237 /nfs/dbraw/zinc/59/32/37/809593237.db2.gz UQGKUKNZUNYUQT-UHFFFAOYSA-N -1 3 292.338 3.179 20 0 CGADHM Cc1nnc(-c2cccc(Nc3ncc(F)cc3[O-])c2)o1 ZINC001175992241 809594442 /nfs/dbraw/zinc/59/44/42/809594442.db2.gz UBYJNRBBXNHAOA-UHFFFAOYSA-N -1 3 286.266 3.028 20 0 CGADHM O=c1cc(Nc2cccc(OCC3CC3)c2)[nH]c(=S)[n-]1 ZINC001176491904 809707115 /nfs/dbraw/zinc/70/71/15/809707115.db2.gz KNNKKGSAJWTRAE-UHFFFAOYSA-N -1 3 289.360 3.003 20 0 CGADHM Cc1nc(Nc2ccc(-c3ccncc3)cc2)cc(=O)[n-]1 ZINC001176694383 809742540 /nfs/dbraw/zinc/74/25/40/809742540.db2.gz QMZIDSLXCUEAMW-UHFFFAOYSA-N -1 3 278.315 3.296 20 0 CGADHM Cc1c[nH]c(C)c1CCC(=O)Nc1ccc(F)c([O-])c1 ZINC001177588633 809810871 /nfs/dbraw/zinc/81/08/71/809810871.db2.gz WTCORXDLVOERNU-UHFFFAOYSA-N -1 3 276.311 3.048 20 0 CGADHM Cc1ccc([O-])c(-c2nc(-c3ccc(Cl)cc3)no2)n1 ZINC001213699841 815322571 /nfs/dbraw/zinc/32/25/71/815322571.db2.gz ZLXLDKPFQCFQMH-UHFFFAOYSA-N -1 3 287.706 3.466 20 0 CGADHM COc1ccc(-c2noc(-c3nc(C)ccc3[O-])n2)c(C)c1 ZINC001213698039 815322710 /nfs/dbraw/zinc/32/27/10/815322710.db2.gz LJYKSMZELOJIPE-UHFFFAOYSA-N -1 3 297.314 3.130 20 0 CGADHM CCc1cccc(C(=O)NC(C)(C)/C=C\Cl)c1[O-] ZINC001178211713 809852080 /nfs/dbraw/zinc/85/20/80/809852080.db2.gz FLSWYADPFAPOHC-HJWRWDBZSA-N -1 3 267.756 3.216 20 0 CGADHM COc1cccc(Nc2ccc(C(N)=O)c([O-])c2)c1C1CC1 ZINC001213809841 815334360 /nfs/dbraw/zinc/33/43/60/815334360.db2.gz KDGQCCAEAQXKOS-UHFFFAOYSA-N -1 3 298.342 3.121 20 0 CGADHM CN(Cc1c(F)ccc([O-])c1F)c1cccc(O)c1 ZINC001182880205 810128971 /nfs/dbraw/zinc/12/89/71/810128971.db2.gz CLNNDPLFXIHVQB-UHFFFAOYSA-N -1 3 265.259 3.012 20 0 CGADHM [O-]c1cc(Nc2c(F)cc(CO)cc2F)c(F)cc1F ZINC001214096888 815368957 /nfs/dbraw/zinc/36/89/57/815368957.db2.gz PRBIKTWOAFXGJZ-UHFFFAOYSA-N -1 3 287.212 3.185 20 0 CGADHM Cc1cc(N)ccc1Nc1cc([O-])c(F)cc1F ZINC001214117349 815371643 /nfs/dbraw/zinc/37/16/43/815371643.db2.gz SHIZFWLKNIXDQJ-UHFFFAOYSA-N -1 3 250.248 3.305 20 0 CGADHM Cc1cccc([O-])c1C(=O)Nc1cnc2occc2c1 ZINC001188640719 810496887 /nfs/dbraw/zinc/49/68/87/810496887.db2.gz XDJDSMQDBRACBD-UHFFFAOYSA-N -1 3 268.272 3.094 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2c(C)cc(F)cc2C)n1 ZINC001189272325 810552959 /nfs/dbraw/zinc/55/29/59/810552959.db2.gz OGFCJIGRKJYOLF-UHFFFAOYSA-N -1 3 274.295 3.104 20 0 CGADHM O=C(NCCCc1ccccc1)Nc1ccc([O-])c(F)c1 ZINC001191200507 810688093 /nfs/dbraw/zinc/68/80/93/810688093.db2.gz ZUSHTAGARPLAQG-UHFFFAOYSA-N -1 3 288.322 3.286 20 0 CGADHM CCC[C@@H]1CCCC[C@H]1C[N-]C(=O)C(F)(F)F ZINC001191349757 810703953 /nfs/dbraw/zinc/70/39/53/810703953.db2.gz XKVBDROLCORAHJ-ZJUUUORDSA-N -1 3 251.292 3.271 20 0 CGADHM CC(C)(C)c1ccc(C(=O)N2C[C@@H]3C[C@@H]3[C@@H](F)C2)c([O-])c1 ZINC001192325801 810787322 /nfs/dbraw/zinc/78/73/22/810787322.db2.gz IUGHQGRNYMMYAZ-BPNCWPANSA-N -1 3 291.366 3.120 20 0 CGADHM C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1[O-])C1CC1 ZINC001192336524 810788241 /nfs/dbraw/zinc/78/82/41/810788241.db2.gz ZVEFGBWZXZPSNF-JTQLQIEISA-N -1 3 261.365 3.218 20 0 CGADHM CCc1cccc(C(=O)Nc2c([O-])cccc2C(C)=O)c1 ZINC001192974373 810837281 /nfs/dbraw/zinc/83/72/81/810837281.db2.gz PNCPQUMTCYZPBV-UHFFFAOYSA-N -1 3 283.327 3.410 20 0 CGADHM Cc1cc(Cl)c([N-]c2oncc2C(N)=O)c(Cl)c1 ZINC001214495852 815417248 /nfs/dbraw/zinc/41/72/48/815417248.db2.gz GFNIJKTWQQEFJO-UHFFFAOYSA-N -1 3 286.118 3.132 20 0 CGADHM O=C(Nc1ncccc1[O-])c1cc(-c2ccccc2)c[nH]1 ZINC001195642620 811272760 /nfs/dbraw/zinc/27/27/60/811272760.db2.gz SQKOAZCIGNRXIY-UHFFFAOYSA-N -1 3 279.299 3.035 20 0 CGADHM Cc1cc(CO)ccc1Nc1cc(F)c([O-])c(F)c1 ZINC001214666974 815440391 /nfs/dbraw/zinc/44/03/91/815440391.db2.gz KZAZXOAJPLZFRY-UHFFFAOYSA-N -1 3 265.259 3.215 20 0 CGADHM O=c1cc(NC2=CC[C@H](C(F)(F)F)CC2)[nH]c(=S)[n-]1 ZINC001196766600 811363700 /nfs/dbraw/zinc/36/37/00/811363700.db2.gz FDCDUXNPCIYISW-LURJTMIESA-N -1 3 291.298 3.129 20 0 CGADHM CC[C@H](C)CNC(=S)Nc1ccc([O-])c(Cl)c1 ZINC001200253816 811654572 /nfs/dbraw/zinc/65/45/72/811654572.db2.gz JMPFIPQMNDMRCZ-QMMMGPOBSA-N -1 3 272.801 3.378 20 0 CGADHM COc1nonc1[N-]c1ccc(Cl)c(OC(C)C)c1 ZINC001201383287 811823445 /nfs/dbraw/zinc/82/34/45/811823445.db2.gz VYEXXRRDCAMROI-UHFFFAOYSA-N -1 3 283.715 3.262 20 0 CGADHM COc1cc(C)cc(-c2noc(-c3c([O-])cccc3O)n2)c1 ZINC001215301657 815504998 /nfs/dbraw/zinc/50/49/98/815504998.db2.gz DOAQWTAWEUFURV-UHFFFAOYSA-N -1 3 298.298 3.132 20 0 CGADHM Cc1ncc(NC(=O)Nc2ccc(C)c(Cl)c2)c(=O)[n-]1 ZINC001202799752 812176176 /nfs/dbraw/zinc/17/61/76/812176176.db2.gz HVSRKZMMFJRQTM-UHFFFAOYSA-N -1 3 292.726 3.096 20 0 CGADHM CNc1ccc(Nc2nc3c(cccc3[O-])s2)cn1 ZINC001203447614 812358840 /nfs/dbraw/zinc/35/88/40/812358840.db2.gz MPDHBURXSIUZLF-UHFFFAOYSA-N -1 3 272.333 3.182 20 0 CGADHM CCc1cc2ncc(Nc3cc(F)c([O-])cc3F)cn2n1 ZINC001215572739 815538492 /nfs/dbraw/zinc/53/84/92/815538492.db2.gz SOSSPEBEPGUHGJ-UHFFFAOYSA-N -1 3 290.273 3.019 20 0 CGADHM CCc1nnc2ccc(Nc3cc(F)c([O-])cc3F)cn21 ZINC001215572437 815537055 /nfs/dbraw/zinc/53/70/55/815537055.db2.gz GXNLFQCYTJVSOG-UHFFFAOYSA-N -1 3 290.273 3.019 20 0 CGADHM COc1cc(Nc2cc(F)c([O-])cc2F)cc(Cl)n1 ZINC001215572129 815537106 /nfs/dbraw/zinc/53/71/06/815537106.db2.gz MGPMONXRFJZYGQ-UHFFFAOYSA-N -1 3 286.665 3.471 20 0 CGADHM Cn1nc(C(C)(C)C)cc1Nc1cc(F)c([O-])cc1F ZINC001215570988 815537176 /nfs/dbraw/zinc/53/71/76/815537176.db2.gz SQUPGBKJOVQFSV-UHFFFAOYSA-N -1 3 281.306 3.445 20 0 CGADHM Cc1cnc(Cl)c(Nc2cc(F)c([O-])cc2F)c1N ZINC001215572778 815538532 /nfs/dbraw/zinc/53/85/32/815538532.db2.gz VSHVLUFBGVLKKV-UHFFFAOYSA-N -1 3 285.681 3.353 20 0 CGADHM [O-]c1cc(F)c(Nc2ncccc2Cl)cc1F ZINC001215572191 815537678 /nfs/dbraw/zinc/53/76/78/815537678.db2.gz PIYGCCREPWVHID-UHFFFAOYSA-N -1 3 256.639 3.462 20 0 CGADHM [O-]c1cc(F)c(Nc2cc(F)nc(F)c2F)cc1F ZINC001215571976 815537775 /nfs/dbraw/zinc/53/77/75/815537775.db2.gz JUWFEYXCXBIIPC-UHFFFAOYSA-N -1 3 276.164 3.226 20 0 CGADHM O=c1[nH]oc2ccc(Nc3cc(F)c([O-])cc3F)cc12 ZINC001215576171 815539776 /nfs/dbraw/zinc/53/97/76/815539776.db2.gz MERIFEAIYMRABV-UHFFFAOYSA-N -1 3 278.214 3.261 20 0 CGADHM Fc1cc(F)c(-c2ccc(-c3nnn[n-]3)cc2)c(F)c1F ZINC001205180580 812900341 /nfs/dbraw/zinc/90/03/41/812900341.db2.gz UCDHECLOEZYDFX-UHFFFAOYSA-N -1 3 294.211 3.090 20 0 CGADHM Fc1cc(F)c(-c2ccc(-c3nn[n-]n3)cc2)c(F)c1F ZINC001205180580 812900344 /nfs/dbraw/zinc/90/03/44/812900344.db2.gz UCDHECLOEZYDFX-UHFFFAOYSA-N -1 3 294.211 3.090 20 0 CGADHM Cc1ncccc1Nc1nc2c(cccc2[O-])s1 ZINC001205338460 812962163 /nfs/dbraw/zinc/96/21/63/812962163.db2.gz CICCXDUXQBSOCQ-UHFFFAOYSA-N -1 3 257.318 3.449 20 0 CGADHM [O-]c1ccc(-c2cccc(OC(F)F)n2)c(F)c1 ZINC001206029764 813171222 /nfs/dbraw/zinc/17/12/22/813171222.db2.gz ILQYTNPBKAVHFY-UHFFFAOYSA-N -1 3 255.195 3.195 20 0 CGADHM [O-]c1ccc(-c2cc(-c3ccncc3)ncn2)c(F)c1 ZINC001206045045 813179456 /nfs/dbraw/zinc/17/94/56/813179456.db2.gz XSHQZXVMMYNMSH-UHFFFAOYSA-N -1 3 267.263 3.050 20 0 CGADHM COC(=O)c1nc2cccc(-c3ccc([O-])cc3F)c2o1 ZINC001206088101 813195969 /nfs/dbraw/zinc/19/59/69/813195969.db2.gz JVXMJJLNXVTZOG-UHFFFAOYSA-N -1 3 287.246 3.126 20 0 CGADHM CN(C)C(=O)c1ccc(F)c(-c2ccc([O-])cc2F)c1 ZINC001206088568 813196262 /nfs/dbraw/zinc/19/62/62/813196262.db2.gz NOLVVWBLWTUXBB-UHFFFAOYSA-N -1 3 277.270 3.039 20 0 CGADHM COc1cnc(F)cc1Nc1cccc(Cl)c1[O-] ZINC001215806877 815601009 /nfs/dbraw/zinc/60/10/09/815601009.db2.gz UONMSJGNNWBIOW-UHFFFAOYSA-N -1 3 268.675 3.332 20 0 CGADHM O=C1CCc2cccc(Nc3cc([O-])cc(F)c3)c21 ZINC001208125050 813699634 /nfs/dbraw/zinc/69/96/34/813699634.db2.gz DYEISCXTRHDMPY-UHFFFAOYSA-N -1 3 257.264 3.404 20 0 CGADHM COc1ccc(C(C)=O)cc1Nc1ccc([O-])c(F)c1 ZINC001210078439 814277390 /nfs/dbraw/zinc/27/73/90/814277390.db2.gz QUCUUXOUTHVEJG-UHFFFAOYSA-N -1 3 275.279 3.486 20 0 CGADHM Nc1ccc2nn(-c3cccc(F)c3[O-])cc2c1Cl ZINC001210200109 814335515 /nfs/dbraw/zinc/33/55/15/814335515.db2.gz WELCXGQTNJTAQP-UHFFFAOYSA-N -1 3 277.686 3.106 20 0 CGADHM [O-]c1cc(Nc2cccc(F)c2O)c(F)cc1F ZINC001210198524 814336038 /nfs/dbraw/zinc/33/60/38/814336038.db2.gz XAIBXNPRYSXMCQ-UHFFFAOYSA-N -1 3 255.195 3.259 20 0 CGADHM CCOC(=O)c1ncsc1Nc1cccc(Cl)c1[O-] ZINC001210219980 814346883 /nfs/dbraw/zinc/34/68/83/814346883.db2.gz TWHVHUOWEGQQMU-UHFFFAOYSA-N -1 3 298.751 3.422 20 0 CGADHM [O-]c1c(Cl)cccc1Nc1cn2ccccc2n1 ZINC001210218698 814347165 /nfs/dbraw/zinc/34/71/65/814347165.db2.gz BMIWPTMRFSGRNP-UHFFFAOYSA-N -1 3 259.696 3.437 20 0 CGADHM Cc1ccc(Nc2ccc([O-])c(F)c2F)cc1CO ZINC001210248771 814365252 /nfs/dbraw/zinc/36/52/52/814365252.db2.gz YGKDKNHUFIXIHB-UHFFFAOYSA-N -1 3 265.259 3.215 20 0 CGADHM CC(C)n1ccc(Nc2cc(F)c([O-])c(F)c2)n1 ZINC001210343928 814413934 /nfs/dbraw/zinc/41/39/34/814413934.db2.gz POSBAQSYBDGYNO-UHFFFAOYSA-N -1 3 253.252 3.191 20 0 CGADHM [O-]c1ccc(Nc2ccc3ncncc3c2)c(F)c1F ZINC001210457122 814468556 /nfs/dbraw/zinc/46/85/56/814468556.db2.gz GZEBLCBPVPBIIX-UHFFFAOYSA-N -1 3 273.242 3.357 20 0 CGADHM [O-]c1cc(Nc2ccc(CO)c(F)c2)c(F)cc1F ZINC001210485232 814482688 /nfs/dbraw/zinc/48/26/88/814482688.db2.gz NGEBIJIJCURHPC-UHFFFAOYSA-N -1 3 269.222 3.045 20 0 CGADHM [O-]c1cc(Cl)cnc1Nc1ccnc(OC2CC2)c1 ZINC001210748760 814609678 /nfs/dbraw/zinc/60/96/78/814609678.db2.gz OCEVMDSRVOQFJC-UHFFFAOYSA-N -1 3 277.711 3.120 20 0 CGADHM Fc1cc(-c2nnn[n-]2)cc(-c2ccc3ccccc3n2)c1 ZINC001242776542 823129658 /nfs/dbraw/zinc/12/96/58/823129658.db2.gz XHWDWANQTDWKFA-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Fc1cc(-c2nn[n-]n2)cc(-c2ccc3ccccc3n2)c1 ZINC001242776542 823129659 /nfs/dbraw/zinc/12/96/59/823129659.db2.gz XHWDWANQTDWKFA-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM [O-]c1cccc(Nc2cnncc2Cl)c1Cl ZINC001210851828 814650326 /nfs/dbraw/zinc/65/03/26/814650326.db2.gz MQNCGBASHVUTIB-UHFFFAOYSA-N -1 3 256.092 3.233 20 0 CGADHM COC(=O)c1cc(N)c(Nc2cccc([O-])c2Cl)s1 ZINC001210852214 814650538 /nfs/dbraw/zinc/65/05/38/814650538.db2.gz WTCJDBGBVZVUCS-UHFFFAOYSA-N -1 3 298.751 3.220 20 0 CGADHM Cc1cc(C)n2nc(Nc3cccc([O-])c3Cl)cc2n1 ZINC001210851548 814651194 /nfs/dbraw/zinc/65/11/94/814651194.db2.gz BQKOSBOUPBWBQM-UHFFFAOYSA-N -1 3 288.738 3.449 20 0 CGADHM O=C1NCc2cccc(Nc3cccc([O-])c3Cl)c2N1 ZINC001210860095 814655096 /nfs/dbraw/zinc/65/50/96/814655096.db2.gz UIUVJNRQTOGRLD-UHFFFAOYSA-N -1 3 289.722 3.424 20 0 CGADHM Cc1nc(Nc2ccccc2N2CCCCC2)cc(=O)[n-]1 ZINC001210960536 814691813 /nfs/dbraw/zinc/69/18/13/814691813.db2.gz CQFBOLVIKUWXIB-UHFFFAOYSA-N -1 3 284.363 3.225 20 0 CGADHM Clc1ncc([N-]c2nccs2)nc1Br ZINC001210989935 814700728 /nfs/dbraw/zinc/70/07/28/814700728.db2.gz CXLWYIMULBDZSP-UHFFFAOYSA-N -1 3 291.561 3.093 20 0 CGADHM Cc1nc(Nc2cncc(-c3ccccc3)c2)cc(=O)[n-]1 ZINC001211022310 814710202 /nfs/dbraw/zinc/71/02/02/814710202.db2.gz RXYXEOHISXAKDT-UHFFFAOYSA-N -1 3 278.315 3.296 20 0 CGADHM CCOc1ccc(F)c(Nc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC001211050734 814723190 /nfs/dbraw/zinc/72/31/90/814723190.db2.gz NEIMAFGHHVCHRM-UHFFFAOYSA-N -1 3 289.310 3.341 20 0 CGADHM Cc1ncc(Nc2ccc(C(=O)[O-])c(C(F)(F)F)c2)n1C ZINC001211484314 814896002 /nfs/dbraw/zinc/89/60/02/814896002.db2.gz SACRSOSSUPTFTE-UHFFFAOYSA-N -1 3 299.252 3.189 20 0 CGADHM CCOCc1cncc(Nc2cc([O-])c(F)cc2F)c1 ZINC001215789826 815592530 /nfs/dbraw/zinc/59/25/30/815592530.db2.gz VIZXDYJKULXCHQ-UHFFFAOYSA-N -1 3 280.274 3.346 20 0 CGADHM CSc1ncc(Nc2cc(=O)[n-]c(C3CC3)n2)cc1C ZINC001215827147 815606236 /nfs/dbraw/zinc/60/62/36/815606236.db2.gz HHHFUIUOFDPOGW-UHFFFAOYSA-N -1 3 288.376 3.229 20 0 CGADHM CSc1ncc(Nc2ncc(F)cc2[O-])cc1C ZINC001215827632 815607283 /nfs/dbraw/zinc/60/72/83/815607283.db2.gz FQQLZNVJMOUZDM-UHFFFAOYSA-N -1 3 265.313 3.095 20 0 CGADHM Cc1nc(OC(C)C)ccc1[N-]c1nnc(C(C)C)o1 ZINC001215916892 815629012 /nfs/dbraw/zinc/62/90/12/815629012.db2.gz JOCVAKNQRFMUKC-UHFFFAOYSA-N -1 3 276.340 3.427 20 0 CGADHM CSc1cc(F)c(Nc2cnc(C)[n-]c2=O)cc1F ZINC001215967650 815644671 /nfs/dbraw/zinc/64/46/71/815644671.db2.gz JSGZWYNKCYRXQW-UHFFFAOYSA-N -1 3 283.303 3.234 20 0 CGADHM COc1nonc1[N-]c1ccc(-c2ccccc2)c(OC)c1 ZINC001216006146 815658301 /nfs/dbraw/zinc/65/83/01/815658301.db2.gz YLUDFJSBRVBBKN-UHFFFAOYSA-N -1 3 297.314 3.497 20 0 CGADHM Cc1c(O)cccc1Nc1ncc(Br)cc1[O-] ZINC001216317414 815780264 /nfs/dbraw/zinc/78/02/64/815780264.db2.gz YXWIDHBWQWBUDD-UHFFFAOYSA-N -1 3 295.136 3.307 20 0 CGADHM COc1cc(Nc2cc(F)c([O-])c(F)c2)c(Cl)cn1 ZINC001216386152 815807494 /nfs/dbraw/zinc/80/74/94/815807494.db2.gz DWPMMGGDSOXWBR-UHFFFAOYSA-N -1 3 286.665 3.471 20 0 CGADHM Cc1ccc(-c2noc(-c3cc(O)ccc3[O-])n2)c(F)c1 ZINC001216735208 815894353 /nfs/dbraw/zinc/89/43/53/815894353.db2.gz BSJMEIUJAHCNNZ-UHFFFAOYSA-N -1 3 286.262 3.262 20 0 CGADHM COc1cccc(-c2noc(-c3nc4ccccc4[n-]3)n2)c1 ZINC001217136842 815910473 /nfs/dbraw/zinc/91/04/73/815910473.db2.gz JGIWGZAJZGVTIV-UHFFFAOYSA-N -1 3 292.298 3.289 20 0 CGADHM Cc1ccnc(-c2noc(-c3[n-]nc4c3cccc4F)n2)c1 ZINC001217323762 815921378 /nfs/dbraw/zinc/92/13/78/815921378.db2.gz XPQKABDHBCZKLQ-UHFFFAOYSA-N -1 3 295.277 3.122 20 0 CGADHM O=C([O-])c1ccccc1-c1cncc(CN2CCCCC2)c1 ZINC001242880079 823162921 /nfs/dbraw/zinc/16/29/21/823162921.db2.gz RJQRAXSPDIQIDK-UHFFFAOYSA-N -1 3 296.370 3.433 20 0 CGADHM [S-]c1ccc(O[C@H]2CNCc3ccccc32)cc1 ZINC001218484012 816238269 /nfs/dbraw/zinc/23/82/69/816238269.db2.gz DNPXNDBCWXPHIU-HNNXBMFYSA-N -1 3 257.358 3.199 20 0 CGADHM CCCOc1ccc(C)c(-c2cncc(-c3nnn[n-]3)c2)c1 ZINC001222178400 816369240 /nfs/dbraw/zinc/36/92/40/816369240.db2.gz CFTULXRJGFVMPN-UHFFFAOYSA-N -1 3 295.346 3.026 20 0 CGADHM CCCOc1ccc(C)c(-c2cncc(-c3nn[n-]n3)c2)c1 ZINC001222178400 816369251 /nfs/dbraw/zinc/36/92/51/816369251.db2.gz CFTULXRJGFVMPN-UHFFFAOYSA-N -1 3 295.346 3.026 20 0 CGADHM O=C(C1CC1)N1CC=C(c2ccc3c(c2)[N-]C(=S)C3)CC1 ZINC001243030550 823218690 /nfs/dbraw/zinc/21/86/90/823218690.db2.gz NFYVZOIFDMVJKZ-UHFFFAOYSA-N -1 3 298.411 3.008 20 0 CGADHM CC1(C)CNC(=O)c2cccc(-c3ccc(F)c([O-])c3)c21 ZINC001243046454 823223582 /nfs/dbraw/zinc/22/35/82/823223582.db2.gz HZBNVHVFQIAGEX-UHFFFAOYSA-N -1 3 285.318 3.219 20 0 CGADHM [O-]c1cc(-c2cnc(OCC3CCC3)cn2)ccc1F ZINC001243046767 823223666 /nfs/dbraw/zinc/22/36/66/823223666.db2.gz KWPITUIWNZTMOM-UHFFFAOYSA-N -1 3 274.295 3.167 20 0 CGADHM COCc1cc(OC)ccc1-c1ccc(F)c([O-])c1 ZINC001243046827 823223738 /nfs/dbraw/zinc/22/37/38/823223738.db2.gz MSIGKLNBGOVYBA-UHFFFAOYSA-N -1 3 262.280 3.353 20 0 CGADHM Cc1nc(-c2ccncc2)cc(-c2ccc(F)c([O-])c2)n1 ZINC001243047798 823224503 /nfs/dbraw/zinc/22/45/03/823224503.db2.gz AEEOMXYKVFCKEU-UHFFFAOYSA-N -1 3 281.290 3.359 20 0 CGADHM CCOC(=O)c1cccc(-c2ccc(F)c([O-])c2)c1 ZINC001243048744 823225338 /nfs/dbraw/zinc/22/53/38/823225338.db2.gz LVKLGYNIPRXOIO-UHFFFAOYSA-N -1 3 260.264 3.375 20 0 CGADHM O=c1cc(-c2ccc(F)c([O-])c2)ccn1Cc1ccccc1 ZINC001243048304 823225617 /nfs/dbraw/zinc/22/56/17/823225617.db2.gz VKVAOLUOEBUYAH-UHFFFAOYSA-N -1 3 295.313 3.408 20 0 CGADHM [O-]c1cc(-c2ccc3nnc(C4CC4)n3c2)ccc1F ZINC001243048380 823225719 /nfs/dbraw/zinc/22/57/19/823225719.db2.gz YOJTUYJDLUZSKU-UHFFFAOYSA-N -1 3 269.279 3.118 20 0 CGADHM Cc1nc2c(c(-c3ccc(F)c([O-])c3)n1)CCCC2 ZINC001243048204 823225868 /nfs/dbraw/zinc/22/58/68/823225868.db2.gz KJDVZPCIBSUGAS-UHFFFAOYSA-N -1 3 258.296 3.176 20 0 CGADHM COc1cc(-c2ccc(F)c([O-])c2)c(NC(C)=O)cc1C ZINC001243049972 823226616 /nfs/dbraw/zinc/22/66/16/823226616.db2.gz JEZYEUYVRPRGNZ-UHFFFAOYSA-N -1 3 289.306 3.474 20 0 CGADHM [O-]c1cc(-c2ncnc3c2SCCC3)ccc1F ZINC001243049192 823226823 /nfs/dbraw/zinc/22/68/23/823226823.db2.gz RBZWUVPBHCDAJP-UHFFFAOYSA-N -1 3 262.309 3.027 20 0 CGADHM CN(C)c1ncc2cc(-c3ccc(F)c([O-])c3)ccc2n1 ZINC001243049584 823226941 /nfs/dbraw/zinc/22/69/41/823226941.db2.gz RLMFFBVRVPCENB-UHFFFAOYSA-N -1 3 283.306 3.208 20 0 CGADHM [O-]c1cc(-c2cc(F)c3nccnc3c2)ccc1F ZINC001243049862 823227108 /nfs/dbraw/zinc/22/71/08/823227108.db2.gz AFPMLKQLVDTHSF-UHFFFAOYSA-N -1 3 258.227 3.281 20 0 CGADHM COC(=O)c1cc(-c2ccc(F)c([O-])c2)cc2[nH]ccc21 ZINC001243050520 823227582 /nfs/dbraw/zinc/22/75/82/823227582.db2.gz YNFYJVAZTPKQOI-UHFFFAOYSA-N -1 3 285.274 3.466 20 0 CGADHM [O-]c1cc(-c2ccc(OC(F)F)nc2)ccc1F ZINC001243050487 823227684 /nfs/dbraw/zinc/22/76/84/823227684.db2.gz YDEQBRPQMKGQCV-UHFFFAOYSA-N -1 3 255.195 3.195 20 0 CGADHM Nc1ccc2cc(-c3ccc(F)c([O-])c3)ccc2n1 ZINC001243062356 823232540 /nfs/dbraw/zinc/23/25/40/823232540.db2.gz NNDZFHZTSCDSSQ-UHFFFAOYSA-N -1 3 254.264 3.329 20 0 CGADHM C[C@H](Oc1ccc2c([O-])coc2c1)c1cccs1 ZINC001225339559 817016500 /nfs/dbraw/zinc/01/65/00/817016500.db2.gz MEHKSJOGRIZXAY-VIFPVBQESA-N -1 3 260.314 3.463 20 0 CGADHM Cc1cnc(=S)[n-]c1O[C@H]1CCC(=O)c2ccccc21 ZINC001225742523 817163666 /nfs/dbraw/zinc/16/36/66/817163666.db2.gz LABBQQCJXHNOAO-ZDUSSCGKSA-N -1 3 286.356 3.170 20 0 CGADHM Cc1cnc(=S)[n-]c1O[C@@H]1CCc2c1nccc2Cl ZINC001225742753 817163714 /nfs/dbraw/zinc/16/37/14/817163714.db2.gz PCIQPKRDNSBQFZ-SNVBAGLBSA-N -1 3 293.779 3.188 20 0 CGADHM C[C@@H]1CC[C@@H](Oc2cc(C(F)(F)F)[n-]c(=S)n2)C1 ZINC001225854523 817196266 /nfs/dbraw/zinc/19/62/66/817196266.db2.gz VHBYPTNVYINRSO-RNFRBKRXSA-N -1 3 278.299 3.352 20 0 CGADHM COCc1cc(O[C@H](C)c2ccc(F)cc2)[n-]c(=S)n1 ZINC001225935488 817223173 /nfs/dbraw/zinc/22/31/73/817223173.db2.gz UNDOTDXXDQTZSE-SECBINFHSA-N -1 3 294.351 3.191 20 0 CGADHM CC(=O)c1ccc([O-])c(O[C@H]2CCCn3cc(C)nc32)c1 ZINC001225995926 817243698 /nfs/dbraw/zinc/24/36/98/817243698.db2.gz VIJWKLZAJTUHFZ-AWEZNQCLSA-N -1 3 286.331 3.014 20 0 CGADHM CC(=O)c1ccc([O-])c(OC[C@H](C)Oc2ccccc2)c1 ZINC001225995795 817243949 /nfs/dbraw/zinc/24/39/49/817243949.db2.gz SPHHGZAYSWFESK-LBPRGKRZSA-N -1 3 286.327 3.441 20 0 CGADHM Cc1nnc(=O)[n-]c1O[C@H](C)c1ccc2ccccc2c1 ZINC001226461969 817364587 /nfs/dbraw/zinc/36/45/87/817364587.db2.gz ZZWLSMQUKNIKDU-LLVKDONJSA-N -1 3 281.315 3.179 20 0 CGADHM CCc1nc(O[C@@H]2CCc3c2cccc3C)cc(=O)[n-]1 ZINC001226472408 817367477 /nfs/dbraw/zinc/36/74/77/817367477.db2.gz GUEARRPAKBDMDC-CYBMUJFWSA-N -1 3 270.332 3.119 20 0 CGADHM CCc1nc(O[C@@H]2CCc3ccc(C)cc32)cc(=O)[n-]1 ZINC001226473419 817368136 /nfs/dbraw/zinc/36/81/36/817368136.db2.gz XCUMCOPLWZBCKM-CYBMUJFWSA-N -1 3 270.332 3.119 20 0 CGADHM CCc1nc(O[C@@H](C)c2ccc(C)cc2)cc(=O)[n-]1 ZINC001226475922 817369738 /nfs/dbraw/zinc/36/97/38/817369738.db2.gz OBYQMFQVFOKLQN-NSHDSACASA-N -1 3 258.321 3.193 20 0 CGADHM CCCC[C@H](C)Oc1c([O-])ccc(C(C)=O)c1O ZINC001226478286 817369778 /nfs/dbraw/zinc/36/97/78/817369778.db2.gz DELLYWJYFNURSA-VIFPVBQESA-N -1 3 252.310 3.258 20 0 CGADHM CCc1nc(O[C@H](CC)c2ccccc2F)cc(=O)[n-]1 ZINC001226476930 817370438 /nfs/dbraw/zinc/37/04/38/817370438.db2.gz VDCRTDWKCUASKG-GFCCVEGCSA-N -1 3 276.311 3.414 20 0 CGADHM Cc1nc(O[C@@H]2CCc3ccc(Cl)cc32)cc(=O)[n-]1 ZINC001226511921 817380561 /nfs/dbraw/zinc/38/05/61/817380561.db2.gz LNASWXNDLASQLO-GFCCVEGCSA-N -1 3 276.723 3.210 20 0 CGADHM Cc1c([C@H](C)Oc2cccc([O-])c2Cl)cnn1C ZINC001226713060 817443024 /nfs/dbraw/zinc/44/30/24/817443024.db2.gz YEZHSUQKXVDEID-VIFPVBQESA-N -1 3 266.728 3.228 20 0 CGADHM COc1ccc([C@H](C)Oc2cc(C)nc(=S)[n-]2)c(F)c1 ZINC001226802048 817469775 /nfs/dbraw/zinc/46/97/75/817469775.db2.gz FNVAZPPMDZVRLX-VIFPVBQESA-N -1 3 294.351 3.361 20 0 CGADHM CCCC[C@H](Oc1ccc(=O)[n-]n1)c1ccccc1 ZINC001227094031 817556593 /nfs/dbraw/zinc/55/65/93/817556593.db2.gz YSBBBOBPPSWZFZ-ZDUSSCGKSA-N -1 3 258.321 3.493 20 0 CGADHM O=c1cc(O[C@@H]2C[C@H]3C=C[C@@H]2C3)[n-]c(C(F)(F)F)c1 ZINC001227585189 817676124 /nfs/dbraw/zinc/67/61/24/817676124.db2.gz ABSKVWISTXVZJS-QXFUBDJGSA-N -1 3 271.238 3.149 20 0 CGADHM C=Cc1c[n-]c(=O)nc1OC1CCC(C(F)(F)F)CC1 ZINC001227713346 817700463 /nfs/dbraw/zinc/70/04/63/817700463.db2.gz KPSGFTJTXLYTAV-UHFFFAOYSA-N -1 3 288.269 3.325 20 0 CGADHM CC[C@@H](C)C[C@@H](CC)Oc1nc(C(=O)OC)ccc1[O-] ZINC001227820156 817726636 /nfs/dbraw/zinc/72/66/36/817726636.db2.gz OVTRHKKYZVPXTD-GHMZBOCLSA-N -1 3 281.352 3.167 20 0 CGADHM [O-]c1cc(Cl)cnc1OC[C@H]1CCc2ccccc2O1 ZINC001227980062 817771915 /nfs/dbraw/zinc/77/19/15/817771915.db2.gz LCQJDGCCOYSLGQ-GFCCVEGCSA-N -1 3 291.734 3.213 20 0 CGADHM [O-]c1cc(Cl)cnc1O[C@@H](c1cccnc1)C1CC1 ZINC001227982653 817772767 /nfs/dbraw/zinc/77/27/67/817772767.db2.gz GMHUCWKDHIALCR-CYBMUJFWSA-N -1 3 276.723 3.366 20 0 CGADHM CC(C)Oc1cncc(COc2ncc(Cl)cc2[O-])c1 ZINC001227982818 817773070 /nfs/dbraw/zinc/77/30/70/817773070.db2.gz IGPXULSSSXRGLL-UHFFFAOYSA-N -1 3 294.738 3.202 20 0 CGADHM CCCc1c([O-])ccc(C(C)=O)c1OC[C@@H]1CCO[C@@H]1C ZINC001228133595 817820577 /nfs/dbraw/zinc/82/05/77/817820577.db2.gz IDIXPMSBWLGUNW-OLZOCXBDSA-N -1 3 292.375 3.351 20 0 CGADHM O=C(c1ccccc1)c1ccc([O-])c(OC[C@H]2CCCO2)c1 ZINC001228153440 817826142 /nfs/dbraw/zinc/82/61/42/817826142.db2.gz DTTRQUYDBZTLQB-OAHLLOKOSA-N -1 3 298.338 3.181 20 0 CGADHM Cc1cccc2c1CC[C@@H]2Oc1nnc(-c2cccnc2)[n-]1 ZINC001228696403 817976521 /nfs/dbraw/zinc/97/65/21/817976521.db2.gz WTUHUMKLRLWLSL-HNNXBMFYSA-N -1 3 292.342 3.241 20 0 CGADHM Cc1cccc2c1CC[C@@H]2Oc1nc(-c2cccnc2)n[n-]1 ZINC001228696403 817976528 /nfs/dbraw/zinc/97/65/28/817976528.db2.gz WTUHUMKLRLWLSL-HNNXBMFYSA-N -1 3 292.342 3.241 20 0 CGADHM Cc1cccc2c1CC[C@@H]2Oc1n[n-]c(-c2cccnc2)n1 ZINC001228696403 817976534 /nfs/dbraw/zinc/97/65/34/817976534.db2.gz WTUHUMKLRLWLSL-HNNXBMFYSA-N -1 3 292.342 3.241 20 0 CGADHM CC1(C)CCC[C@H](Oc2nnc(-c3cccnc3)[n-]2)C1 ZINC001228699491 817980166 /nfs/dbraw/zinc/98/01/66/817980166.db2.gz XXJKDCJBIMDRSQ-LBPRGKRZSA-N -1 3 272.352 3.214 20 0 CGADHM CC1(C)CCC[C@H](Oc2nc(-c3cccnc3)n[n-]2)C1 ZINC001228699491 817980171 /nfs/dbraw/zinc/98/01/71/817980171.db2.gz XXJKDCJBIMDRSQ-LBPRGKRZSA-N -1 3 272.352 3.214 20 0 CGADHM CC1(C)CCC[C@H](Oc2n[n-]c(-c3cccnc3)n2)C1 ZINC001228699491 817980176 /nfs/dbraw/zinc/98/01/76/817980176.db2.gz XXJKDCJBIMDRSQ-LBPRGKRZSA-N -1 3 272.352 3.214 20 0 CGADHM C[C@H]1CC[C@@H](Oc2cc3c(cc2[O-])CCC3=O)CC1 ZINC001228854283 818023915 /nfs/dbraw/zinc/02/39/15/818023915.db2.gz QJVXDIQYNDLKRD-KLPPZKSPSA-N -1 3 260.333 3.479 20 0 CGADHM C[C@H](Oc1cc2c(cc1[O-])CCC2=O)c1cccnc1 ZINC001228856631 818024841 /nfs/dbraw/zinc/02/48/41/818024841.db2.gz FQCKVSPXSJVATM-JTQLQIEISA-N -1 3 269.300 3.056 20 0 CGADHM O=C1CCc2cc([O-])c(OC3CCC(F)(F)CC3)cc21 ZINC001228857691 818025514 /nfs/dbraw/zinc/02/55/14/818025514.db2.gz NLJUPVCRBUBONM-UHFFFAOYSA-N -1 3 282.286 3.478 20 0 CGADHM COc1cc(C)cc(-c2ccc(-c3nnn[n-]3)cc2C)c1 ZINC001243243883 823310112 /nfs/dbraw/zinc/31/01/12/823310112.db2.gz ZPFJRYYQNHWMIP-UHFFFAOYSA-N -1 3 280.331 3.159 20 0 CGADHM COc1cc(C)cc(-c2ccc(-c3nn[n-]n3)cc2C)c1 ZINC001243243883 823310120 /nfs/dbraw/zinc/31/01/20/823310120.db2.gz ZPFJRYYQNHWMIP-UHFFFAOYSA-N -1 3 280.331 3.159 20 0 CGADHM C[C@@H]1CN(Cc2ccc([O-])c(C(F)(F)F)c2)C[C@@H]1F ZINC001231524311 818120339 /nfs/dbraw/zinc/12/03/39/818120339.db2.gz NDOHKLZZEDEPEN-KCJUWKMLSA-N -1 3 277.261 3.201 20 0 CGADHM CCCOc1cccc(F)c1-c1cccc(-c2nnn[n-]2)c1 ZINC001243268426 823318696 /nfs/dbraw/zinc/31/86/96/823318696.db2.gz HUNODCZYGQAEOS-UHFFFAOYSA-N -1 3 298.321 3.462 20 0 CGADHM CCCOc1cccc(F)c1-c1cccc(-c2nn[n-]n2)c1 ZINC001243268426 823318703 /nfs/dbraw/zinc/31/87/03/823318703.db2.gz HUNODCZYGQAEOS-UHFFFAOYSA-N -1 3 298.321 3.462 20 0 CGADHM [O-]c1c(F)ccc(CN2CC[C@H]3CCC[C@@H]3C2)c1F ZINC001232934843 818475346 /nfs/dbraw/zinc/47/53/46/818475346.db2.gz XCHCHVJMIBAGCT-GHMZBOCLSA-N -1 3 267.319 3.292 20 0 CGADHM C[C@@H]1CCCCN(Cc2cc([O-])c(F)c(F)c2)C1 ZINC001232970800 818488654 /nfs/dbraw/zinc/48/86/54/818488654.db2.gz NMJLLHWPDUSQPZ-SNVBAGLBSA-N -1 3 255.308 3.292 20 0 CGADHM C[C@@]1(F)CCCN(Cc2cc(Cl)ncc2[O-])CC1 ZINC001233031883 818505432 /nfs/dbraw/zinc/50/54/32/818505432.db2.gz ASQRVCOSFROSAF-CYBMUJFWSA-N -1 3 272.751 3.155 20 0 CGADHM Cc1ccc2c(c1)CN(Cc1cccc([O-])c1F)CC2 ZINC001233050266 818511053 /nfs/dbraw/zinc/51/10/53/818511053.db2.gz NXBPEVBWBHDPMK-UHFFFAOYSA-N -1 3 271.335 3.398 20 0 CGADHM C[C@]1(F)CCCCN(Cc2cccc([O-])c2F)C1 ZINC001233049933 818511598 /nfs/dbraw/zinc/51/15/98/818511598.db2.gz JEQZWPAPGZNVTD-AWEZNQCLSA-N -1 3 255.308 3.245 20 0 CGADHM [O-]c1cccc(CN2CCOC3(CCCCC3)C2)c1F ZINC001233056760 818515281 /nfs/dbraw/zinc/51/52/81/818515281.db2.gz HOZHIKVERCBJIK-UHFFFAOYSA-N -1 3 279.355 3.066 20 0 CGADHM CCOC1CCN(Cc2ccc(OC)c([O-])c2Cl)CC1 ZINC001233399973 818610216 /nfs/dbraw/zinc/61/02/16/818610216.db2.gz QMOLWZWWQNAXER-UHFFFAOYSA-N -1 3 299.798 3.055 20 0 CGADHM CCO[C@H]1CCCN(Cc2ccc(OC)c([O-])c2Cl)C1 ZINC001233399897 818610701 /nfs/dbraw/zinc/61/07/01/818610701.db2.gz NNSSLQDWLKPAMF-LBPRGKRZSA-N -1 3 299.798 3.055 20 0 CGADHM COc1ccc(CN(C)C2CC(F)(F)C2)c(Cl)c1[O-] ZINC001233397730 818611369 /nfs/dbraw/zinc/61/13/69/818611369.db2.gz KRRPZDXYNCOMEK-UHFFFAOYSA-N -1 3 291.725 3.284 20 0 CGADHM CCOC(=O)[C@H]1C[C@@H](Oc2cc(Cl)c([O-])cc2C)C1 ZINC001233594331 818653268 /nfs/dbraw/zinc/65/32/68/818653268.db2.gz JLHRLHKAYXNSHY-AOOOYVTPSA-N -1 3 284.739 3.075 20 0 CGADHM [O-]c1cccc(O[C@@H]2CCCc3cccnc32)c1F ZINC001233867523 818721107 /nfs/dbraw/zinc/72/11/07/818721107.db2.gz FVICJOBNWQFVNW-CYBMUJFWSA-N -1 3 259.280 3.383 20 0 CGADHM CC1(C)C(=O)CCC[C@@H]1Oc1cccc([O-])c1F ZINC001233871930 818722021 /nfs/dbraw/zinc/72/20/21/818722021.db2.gz SAVSJBUTQPAEPN-LBPRGKRZSA-N -1 3 252.285 3.058 20 0 CGADHM CC(=O)[C@@H](Oc1cccc([O-])c1F)c1ccccc1 ZINC001233873347 818722230 /nfs/dbraw/zinc/72/22/30/818722230.db2.gz XUMJSNCIJMSNEL-OAHLLOKOSA-N -1 3 260.264 3.240 20 0 CGADHM CC[C@@H](C)CC[C@@H](C)Oc1cccc([O-])c1C(N)=O ZINC001234149361 818792287 /nfs/dbraw/zinc/79/22/87/818792287.db2.gz NUVUAIXZTHHXGS-GHMZBOCLSA-N -1 3 265.353 3.085 20 0 CGADHM C[C@@H](Oc1c([O-])cc(Cl)cc1F)C1CCOCC1 ZINC001234445623 818856406 /nfs/dbraw/zinc/85/64/06/818856406.db2.gz AHGUQGBGADUXMB-MRVPVSSYSA-N -1 3 274.719 3.379 20 0 CGADHM Cc1c([C@H](C)Oc2c([O-])cc(Cl)cc2F)cnn1C ZINC001234447185 818858341 /nfs/dbraw/zinc/85/83/41/818858341.db2.gz JFPODTCJEVWLIV-QMMMGPOBSA-N -1 3 284.718 3.367 20 0 CGADHM COc1cc([O-])c(C)c(O[C@H](C)C2CC2)c1C(C)=O ZINC001234792365 818924353 /nfs/dbraw/zinc/92/43/53/818924353.db2.gz ZNBALJSQUOWQRM-SNVBAGLBSA-N -1 3 264.321 3.089 20 0 CGADHM CC[C@H](C)Oc1c(C)c([O-])cc(OC)c1C(C)=O ZINC001234791534 818924915 /nfs/dbraw/zinc/92/49/15/818924915.db2.gz OBABBCPFUURTQT-QMMMGPOBSA-N -1 3 252.310 3.089 20 0 CGADHM C[C@@H](Oc1nc2ccsc2[n-]1)c1ncccc1F ZINC001234847371 818932197 /nfs/dbraw/zinc/93/21/97/818932197.db2.gz IGKLFSCVRZKMFT-SSDOTTSWSA-N -1 3 263.297 3.299 20 0 CGADHM CCOC(=O)[C@@H]1CCC[C@@H](Oc2nc3ccsc3[n-]2)C1 ZINC001234848278 818932454 /nfs/dbraw/zinc/93/24/54/818932454.db2.gz ORUYSZQSCDJRPY-NXEZZACHSA-N -1 3 294.376 3.125 20 0 CGADHM CCOC(=O)[C@@H]1CCC[C@@H](Oc2nc3sccc3[n-]2)C1 ZINC001234848278 818932458 /nfs/dbraw/zinc/93/24/58/818932458.db2.gz ORUYSZQSCDJRPY-NXEZZACHSA-N -1 3 294.376 3.125 20 0 CGADHM C[C@H](COc1nc2ccsc2[n-]1)Oc1ccccc1 ZINC001234849189 818933445 /nfs/dbraw/zinc/93/34/45/818933445.db2.gz ZKPOKKOLWADNJC-SNVBAGLBSA-N -1 3 274.345 3.471 20 0 CGADHM C[C@H](COc1nc2sccc2[n-]1)Oc1ccccc1 ZINC001234849189 818933450 /nfs/dbraw/zinc/93/34/50/818933450.db2.gz ZKPOKKOLWADNJC-SNVBAGLBSA-N -1 3 274.345 3.471 20 0 CGADHM Cc1cc(N2CCCC2)nc(-c2cc([O-])cc(Cl)c2)n1 ZINC001235899783 819209350 /nfs/dbraw/zinc/20/93/50/819209350.db2.gz OCSWFBPNXZAWFK-UHFFFAOYSA-N -1 3 289.766 3.411 20 0 CGADHM COc1ccc(-c2ccc(C(=O)[O-])cc2)cc1CN(C)C ZINC001236066262 819298278 /nfs/dbraw/zinc/29/82/78/819298278.db2.gz UCTRJAHCHKAFAN-UHFFFAOYSA-N -1 3 285.343 3.122 20 0 CGADHM CC(C)Oc1cccc(-c2cccc(-c3nnn[n-]3)c2)c1F ZINC001243448966 823407812 /nfs/dbraw/zinc/40/78/12/823407812.db2.gz NRANJWMYPSPZEY-UHFFFAOYSA-N -1 3 298.321 3.460 20 0 CGADHM CC(C)Oc1cccc(-c2cccc(-c3nn[n-]n3)c2)c1F ZINC001243448966 823407815 /nfs/dbraw/zinc/40/78/15/823407815.db2.gz NRANJWMYPSPZEY-UHFFFAOYSA-N -1 3 298.321 3.460 20 0 CGADHM COc1cccc2c1CN(Cc1ccc(F)c([O-])c1)CC2 ZINC001236704671 819576726 /nfs/dbraw/zinc/57/67/26/819576726.db2.gz XZAKORQCZARXLA-UHFFFAOYSA-N -1 3 287.334 3.098 20 0 CGADHM [O-]c1cc(CN2Cc3cccc(F)c3C2)ccc1F ZINC001236705694 819576790 /nfs/dbraw/zinc/57/67/90/819576790.db2.gz QIKVOZAAZDQKHO-UHFFFAOYSA-N -1 3 261.271 3.186 20 0 CGADHM O=c1[n-]c(Cl)c(CN2CCCc3ccccc3C2)s1 ZINC001237149856 819680223 /nfs/dbraw/zinc/68/02/23/819680223.db2.gz AKZUJZIJDRHUBC-UHFFFAOYSA-N -1 3 294.807 3.451 20 0 CGADHM O=c1[n-]c(Cl)c(CN2CCc3sccc3C2)s1 ZINC001237159174 819684468 /nfs/dbraw/zinc/68/44/68/819684468.db2.gz WOARFLOGUAEKGF-UHFFFAOYSA-N -1 3 286.809 3.122 20 0 CGADHM O=c1[n-]c(Cl)c(CN2CCCC(F)(F)CC2)s1 ZINC001237162000 819684881 /nfs/dbraw/zinc/68/48/81/819684881.db2.gz SFRGGKMKZFCVHE-UHFFFAOYSA-N -1 3 282.743 3.123 20 0 CGADHM O=c1[n-]c(Cl)c(CN2CC3(C2)CCCCC3)s1 ZINC001237165791 819686149 /nfs/dbraw/zinc/68/61/49/819686149.db2.gz PDKGPNUFWGWHQM-UHFFFAOYSA-N -1 3 272.801 3.268 20 0 CGADHM Cc1cc([C@H]2CCCN2Cc2sc(=O)[n-]c2Cl)no1 ZINC001237163244 819686572 /nfs/dbraw/zinc/68/65/72/819686572.db2.gz ZRPNKFGCXVJXDT-SECBINFHSA-N -1 3 299.783 3.136 20 0 CGADHM [S-]c1ccoc1CN1CCOC[C@@H]1c1ccccc1 ZINC001237179726 819687868 /nfs/dbraw/zinc/68/78/68/819687868.db2.gz FMFZHPIYNNCYLI-CYBMUJFWSA-N -1 3 275.373 3.142 20 0 CGADHM CC(=O)c1ccc2c(c1)CN(Cc1cc([O-])cc(F)c1)CC2 ZINC001237280007 819716457 /nfs/dbraw/zinc/71/64/57/819716457.db2.gz AFUNTYVUSYKALF-UHFFFAOYSA-N -1 3 299.345 3.292 20 0 CGADHM O=C(c1ccccc1-c1cccc([O-])c1F)N1CCCC1 ZINC001243544117 823437608 /nfs/dbraw/zinc/43/76/08/823437608.db2.gz BGCCFXHHFFLUND-UHFFFAOYSA-N -1 3 285.318 3.434 20 0 CGADHM CC(=O)Nc1ccc(C)c(-c2cccc([O-])c2F)c1 ZINC001243545213 823438383 /nfs/dbraw/zinc/43/83/83/823438383.db2.gz YBSCAGGJKPZTME-UHFFFAOYSA-N -1 3 259.280 3.465 20 0 CGADHM COC(=O)c1c[nH]c2c1cccc2-c1cccc([O-])c1F ZINC001243545290 823438398 /nfs/dbraw/zinc/43/83/98/823438398.db2.gz BZBFDJMUYCBHCI-UHFFFAOYSA-N -1 3 285.274 3.466 20 0 CGADHM O=c1c(-c2cccc([O-])c2F)cccn1-c1cccc(F)c1 ZINC001243546921 823438901 /nfs/dbraw/zinc/43/89/01/823438901.db2.gz UUUNILSHYIOOIL-UHFFFAOYSA-N -1 3 299.276 3.488 20 0 CGADHM [O-]c1cccc(-c2cccc(N3CCOCC3)c2)c1F ZINC001243546027 823438926 /nfs/dbraw/zinc/43/89/26/823438926.db2.gz FHZICYSYCCUMRO-UHFFFAOYSA-N -1 3 273.307 3.035 20 0 CGADHM COC(=O)c1cc(C)cc(-c2cccc([O-])c2F)c1 ZINC001243547146 823439626 /nfs/dbraw/zinc/43/96/26/823439626.db2.gz NXVZAWUZUVMZOT-UHFFFAOYSA-N -1 3 260.264 3.293 20 0 CGADHM [O-]c1cc(C(F)(F)F)ccc1-c1cc(F)cn2ncnc12 ZINC001243611430 823467081 /nfs/dbraw/zinc/46/70/81/823467081.db2.gz FXDMQFYFOWJEMS-UHFFFAOYSA-N -1 3 297.211 3.260 20 0 CGADHM Cc1ccc(-c2cc(F)cc(F)c2)cc1-c1nnn[n-]1 ZINC001239657534 820495138 /nfs/dbraw/zinc/49/51/38/820495138.db2.gz NLZZQAWQVNAZKT-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM Cc1ccc(-c2cc(F)cc(F)c2)cc1-c1nn[n-]n1 ZINC001239657534 820495141 /nfs/dbraw/zinc/49/51/41/820495141.db2.gz NLZZQAWQVNAZKT-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM c1ccc2c(c1)nccc2-c1ccc(Cc2nnn[n-]2)cc1 ZINC001239852296 820658389 /nfs/dbraw/zinc/65/83/89/820658389.db2.gz AFYJPSAEJGSFHW-UHFFFAOYSA-N -1 3 287.326 3.006 20 0 CGADHM c1ccc2c(c1)nccc2-c1ccc(Cc2nn[n-]n2)cc1 ZINC001239852296 820658395 /nfs/dbraw/zinc/65/83/95/820658395.db2.gz AFYJPSAEJGSFHW-UHFFFAOYSA-N -1 3 287.326 3.006 20 0 CGADHM Fc1cc2[nH]ccc2c(-c2cc(-c3nnn[n-]3)ccc2F)c1 ZINC001240035646 820798240 /nfs/dbraw/zinc/79/82/40/820798240.db2.gz BJWCSLDNHHBULF-UHFFFAOYSA-N -1 3 297.268 3.293 20 0 CGADHM Fc1cc2[nH]ccc2c(-c2cc(-c3nn[n-]n3)ccc2F)c1 ZINC001240035646 820798244 /nfs/dbraw/zinc/79/82/44/820798244.db2.gz BJWCSLDNHHBULF-UHFFFAOYSA-N -1 3 297.268 3.293 20 0 CGADHM Fc1ccc2[nH]ccc2c1-c1ccc(-c2nnn[n-]2)cc1 ZINC001240213167 820881108 /nfs/dbraw/zinc/88/11/08/820881108.db2.gz FXNRQVJFHDLGKV-UHFFFAOYSA-N -1 3 279.278 3.154 20 0 CGADHM Fc1ccc2[nH]ccc2c1-c1ccc(-c2nn[n-]n2)cc1 ZINC001240213167 820881116 /nfs/dbraw/zinc/88/11/16/820881116.db2.gz FXNRQVJFHDLGKV-UHFFFAOYSA-N -1 3 279.278 3.154 20 0 CGADHM Fc1ccc(-c2ccc3ncsc3c2)cc1-c1nnn[n-]1 ZINC001240346147 820982517 /nfs/dbraw/zinc/98/25/17/820982517.db2.gz XGIHRACOKMQIPR-UHFFFAOYSA-N -1 3 297.318 3.283 20 0 CGADHM Fc1ccc(-c2ccc3ncsc3c2)cc1-c1nn[n-]n1 ZINC001240346147 820982523 /nfs/dbraw/zinc/98/25/23/820982523.db2.gz XGIHRACOKMQIPR-UHFFFAOYSA-N -1 3 297.318 3.283 20 0 CGADHM Cc1ccc(-c2cccc(C(C)(C)O)c2)cc1-c1nnn[n-]1 ZINC001240410247 821029983 /nfs/dbraw/zinc/02/99/83/821029983.db2.gz LSLBBLFQCKJIDV-UHFFFAOYSA-N -1 3 294.358 3.070 20 0 CGADHM Cc1ccc(-c2cccc(C(C)(C)O)c2)cc1-c1nn[n-]n1 ZINC001240410247 821029994 /nfs/dbraw/zinc/02/99/94/821029994.db2.gz LSLBBLFQCKJIDV-UHFFFAOYSA-N -1 3 294.358 3.070 20 0 CGADHM Cn1ccc2ccc(-c3ccc(F)c(-c4nnn[n-]4)c3)cc21 ZINC001240576227 821162546 /nfs/dbraw/zinc/16/25/46/821162546.db2.gz OHGWEWRSGLXTAY-UHFFFAOYSA-N -1 3 293.305 3.165 20 0 CGADHM Cn1ccc2ccc(-c3ccc(F)c(-c4nn[n-]n4)c3)cc21 ZINC001240576227 821162554 /nfs/dbraw/zinc/16/25/54/821162554.db2.gz OHGWEWRSGLXTAY-UHFFFAOYSA-N -1 3 293.305 3.165 20 0 CGADHM Cc1ccc(-c2cc(-c3nnn[n-]3)ccc2F)cc1C ZINC001240701640 821257894 /nfs/dbraw/zinc/25/78/94/821257894.db2.gz DEVOVNOZTUYUGC-UHFFFAOYSA-N -1 3 268.295 3.290 20 0 CGADHM Cc1ccc(-c2cc(-c3nn[n-]n3)ccc2F)cc1C ZINC001240701640 821257897 /nfs/dbraw/zinc/25/78/97/821257897.db2.gz DEVOVNOZTUYUGC-UHFFFAOYSA-N -1 3 268.295 3.290 20 0 CGADHM CCc1c(C)cc(-c2cncc(-c3nnn[n-]3)c2)cc1C ZINC001240741405 821293463 /nfs/dbraw/zinc/29/34/63/821293463.db2.gz YWANNKPYQVFJJE-UHFFFAOYSA-N -1 3 279.347 3.108 20 0 CGADHM CCc1c(C)cc(-c2cncc(-c3nn[n-]n3)c2)cc1C ZINC001240741405 821293466 /nfs/dbraw/zinc/29/34/66/821293466.db2.gz YWANNKPYQVFJJE-UHFFFAOYSA-N -1 3 279.347 3.108 20 0 CGADHM [O-]c1ccc(-c2cnc(C(F)(F)F)nc2)cc1F ZINC001240785501 821324660 /nfs/dbraw/zinc/32/46/60/821324660.db2.gz BZMKZLGPTBCTHP-UHFFFAOYSA-N -1 3 258.174 3.007 20 0 CGADHM CC(=O)N1CCCc2ccc(-c3ccc([O-])c(F)c3)cc21 ZINC001240785579 821325697 /nfs/dbraw/zinc/32/56/97/821325697.db2.gz GVIXMGYJZOFSAU-UHFFFAOYSA-N -1 3 285.318 3.497 20 0 CGADHM COC(=O)[C@@H](C)c1ccc(-c2ccc([O-])c(F)c2)cc1 ZINC001240786823 821327811 /nfs/dbraw/zinc/32/78/11/821327811.db2.gz XDMUOOWXBBNAQN-JTQLQIEISA-N -1 3 274.291 3.475 20 0 CGADHM O=C1Nc2cc(-c3ccc([O-])c(F)c3)ccc2C12CC2 ZINC001240787508 821329167 /nfs/dbraw/zinc/32/91/67/821329167.db2.gz IIRAWTZTBFQFEX-UHFFFAOYSA-N -1 3 269.275 3.182 20 0 CGADHM CC1(C)NC(=O)c2cc(-c3ccc([O-])c(F)c3)ccc21 ZINC001240790946 821334519 /nfs/dbraw/zinc/33/45/19/821334519.db2.gz RNWYFPUFOXHYIJ-UHFFFAOYSA-N -1 3 271.291 3.177 20 0 CGADHM COCc1cc(OC)ccc1-c1ccc([O-])c(F)c1 ZINC001240791233 821335297 /nfs/dbraw/zinc/33/52/97/821335297.db2.gz VUHWXDBHYKOOLN-UHFFFAOYSA-N -1 3 262.280 3.353 20 0 CGADHM Fc1ccc(-c2cccc3ncccc32)cc1-c1nnn[n-]1 ZINC001240939653 821430053 /nfs/dbraw/zinc/43/00/53/821430053.db2.gz DWGXOCLHZBQEPO-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Fc1ccc(-c2cccc3ncccc32)cc1-c1nn[n-]n1 ZINC001240939653 821430054 /nfs/dbraw/zinc/43/00/54/821430054.db2.gz DWGXOCLHZBQEPO-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM COc1ccc(-c2cc(C(=O)[O-])ccc2C)cc1CN(C)C ZINC001241002398 821481167 /nfs/dbraw/zinc/48/11/67/821481167.db2.gz AAZZLMQWAAYWQZ-UHFFFAOYSA-N -1 3 299.370 3.430 20 0 CGADHM COC(=O)c1ccc(C(F)(F)F)c(-c2ccccc2[O-])n1 ZINC001241003126 821481530 /nfs/dbraw/zinc/48/15/30/821481530.db2.gz HKMUCCBKPZELGS-UHFFFAOYSA-N -1 3 297.232 3.260 20 0 CGADHM [O-]c1ccccc1-c1ncnc2c1ncn2-c1ccccc1 ZINC001241008507 821485103 /nfs/dbraw/zinc/48/51/03/821485103.db2.gz HZCSMHKXSCWFIP-UHFFFAOYSA-N -1 3 288.310 3.188 20 0 CGADHM COC(OC)c1cc(C)cnc1-c1ccccc1[O-] ZINC001241008195 821485231 /nfs/dbraw/zinc/48/52/31/821485231.db2.gz NSJUZIFCCVDRRD-UHFFFAOYSA-N -1 3 259.305 3.054 20 0 CGADHM CCOC(=O)c1cc(F)cnc1-c1ccc(C)cc1[O-] ZINC001241028353 821502678 /nfs/dbraw/zinc/50/26/78/821502678.db2.gz LNVCLXZYMMYHES-UHFFFAOYSA-N -1 3 275.279 3.078 20 0 CGADHM Cc1[nH]c2ncnc(-c3ccc(C)cc3[O-])c2c1C ZINC001241031035 821505969 /nfs/dbraw/zinc/50/59/69/821505969.db2.gz VURYEFCGSXEFIP-UHFFFAOYSA-N -1 3 253.305 3.256 20 0 CGADHM C=C(OCC)c1ccc(-c2ccc(C)cc2[O-])nn1 ZINC001241030628 821506496 /nfs/dbraw/zinc/50/64/96/821506496.db2.gz PQWILRRDUCDMCW-UHFFFAOYSA-N -1 3 256.305 3.165 20 0 CGADHM COc1cccc2ncnc(-c3ccc(C)cc3[O-])c21 ZINC001241036391 821511932 /nfs/dbraw/zinc/51/19/32/821511932.db2.gz WSDFLCATAOIVTJ-UHFFFAOYSA-N -1 3 266.300 3.319 20 0 CGADHM Cc1ccc(-c2c(F)ccc(F)c2F)cc1-c1nnn[n-]1 ZINC001241049285 821523449 /nfs/dbraw/zinc/52/34/49/821523449.db2.gz SCLJAIOKVVBJSZ-UHFFFAOYSA-N -1 3 290.248 3.259 20 0 CGADHM Cc1ccc(-c2c(F)ccc(F)c2F)cc1-c1nn[n-]n1 ZINC001241049285 821523450 /nfs/dbraw/zinc/52/34/50/821523450.db2.gz SCLJAIOKVVBJSZ-UHFFFAOYSA-N -1 3 290.248 3.259 20 0 CGADHM Cc1ccc(-c2cnc(NC(=O)C(C)(C)C)cn2)c([O-])c1 ZINC001241051381 821524519 /nfs/dbraw/zinc/52/45/19/821524519.db2.gz UUKXAEHKRVDAHI-UHFFFAOYSA-N -1 3 285.347 3.142 20 0 CGADHM CN1CCOc2cc(-c3c(F)cc([O-])cc3F)ccc21 ZINC001241121009 821577666 /nfs/dbraw/zinc/57/76/66/821577666.db2.gz XZOZENQAIRANKU-UHFFFAOYSA-N -1 3 277.270 3.166 20 0 CGADHM [O-]c1cc(F)cc(-c2cnc(C(F)(F)F)cn2)c1 ZINC001241257981 821678302 /nfs/dbraw/zinc/67/83/02/821678302.db2.gz RCJDWHBYKHNFFM-UHFFFAOYSA-N -1 3 258.174 3.007 20 0 CGADHM CSc1ncc2ccc(-c3cc([O-])cc(F)c3)nc2n1 ZINC001241262125 821681268 /nfs/dbraw/zinc/68/12/68/821681268.db2.gz JRLFQCRGBGCATG-UHFFFAOYSA-N -1 3 287.319 3.258 20 0 CGADHM Cc1cc(-c2cc([O-])cc(F)c2)nc(-c2cccnc2)n1 ZINC001241261467 821681303 /nfs/dbraw/zinc/68/13/03/821681303.db2.gz OWSPUZKIAWLGKW-UHFFFAOYSA-N -1 3 281.290 3.359 20 0 CGADHM CC(=O)Nc1ccc(F)cc1-c1cc([O-])cc(F)c1 ZINC001241272078 821691632 /nfs/dbraw/zinc/69/16/32/821691632.db2.gz MTJXLZHMTQCHGR-UHFFFAOYSA-N -1 3 263.243 3.296 20 0 CGADHM Cc1cc(-c2ccc(-c3nnn[n-]3)c(F)c2)ccc1F ZINC001241281115 821699314 /nfs/dbraw/zinc/69/93/14/821699314.db2.gz UOSZGNFCTBLCDI-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM Cc1cc(-c2ccc(-c3nn[n-]n3)c(F)c2)ccc1F ZINC001241281115 821699316 /nfs/dbraw/zinc/69/93/16/821699316.db2.gz UOSZGNFCTBLCDI-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM O=c1c(-c2cc([O-])cc(F)c2)cccn1C1CCC1 ZINC001241280650 821699338 /nfs/dbraw/zinc/69/93/38/821699338.db2.gz QKILDYKUQDCBFG-UHFFFAOYSA-N -1 3 259.280 3.085 20 0 CGADHM COc1cc(-c2c(F)ccc([O-])c2F)cc(OC)c1OC ZINC001241292744 821709052 /nfs/dbraw/zinc/70/90/52/821709052.db2.gz JJIZKMSTBZSFJI-UHFFFAOYSA-N -1 3 296.269 3.363 20 0 CGADHM [O-]c1ccc(F)c(-c2cccc3ncncc32)c1F ZINC001241292732 821709725 /nfs/dbraw/zinc/70/97/25/821709725.db2.gz IPHICXGBLWZNKS-UHFFFAOYSA-N -1 3 258.227 3.281 20 0 CGADHM O=C1Nc2ccc(-c3c(F)ccc([O-])c3F)cc2C12CC2 ZINC001241293300 821710817 /nfs/dbraw/zinc/71/08/17/821710817.db2.gz RDDXKSLYWNKMRM-UHFFFAOYSA-N -1 3 287.265 3.321 20 0 CGADHM [O-]c1ccc(F)c(-c2cccnc2OC(F)F)c1F ZINC001241294362 821712117 /nfs/dbraw/zinc/71/21/17/821712117.db2.gz SBVFAVVWLARYFL-UHFFFAOYSA-N -1 3 273.185 3.334 20 0 CGADHM COCc1cc(OC)ccc1-c1c(F)ccc([O-])c1F ZINC001241294989 821712217 /nfs/dbraw/zinc/71/22/17/821712217.db2.gz DFKTYMCBSXVGMW-UHFFFAOYSA-N -1 3 280.270 3.492 20 0 CGADHM Cc1cc(C(N)=O)cc(C)c1-c1c(F)ccc([O-])c1F ZINC001241294097 821712643 /nfs/dbraw/zinc/71/26/43/821712643.db2.gz UWLYPARKMYQZJW-UHFFFAOYSA-N -1 3 277.270 3.053 20 0 CGADHM CC(C)c1ncc(-c2c(F)ccc([O-])c2F)cn1 ZINC001241295408 821714366 /nfs/dbraw/zinc/71/43/66/821714366.db2.gz QCGLWANUJHNSLN-UHFFFAOYSA-N -1 3 250.248 3.251 20 0 CGADHM Fc1cnc2c(cccc2-c2ccc(-c3nnn[n-]3)cc2)c1 ZINC001241444553 821838340 /nfs/dbraw/zinc/83/83/40/821838340.db2.gz FHAGFVOLTKKRNX-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Fc1cnc2c(cccc2-c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001241444553 821838346 /nfs/dbraw/zinc/83/83/46/821838346.db2.gz FHAGFVOLTKKRNX-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Cc1c(F)ccc(-c2ccc(-c3nnn[n-]3)cc2)c1C ZINC001241444760 821838445 /nfs/dbraw/zinc/83/84/45/821838445.db2.gz GBVBHLXDWIXSHR-UHFFFAOYSA-N -1 3 268.295 3.290 20 0 CGADHM Cc1c(F)ccc(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC001241444760 821838453 /nfs/dbraw/zinc/83/84/53/821838453.db2.gz GBVBHLXDWIXSHR-UHFFFAOYSA-N -1 3 268.295 3.290 20 0 CGADHM Cc1ccc2cccnc2c1-c1ccc(-c2nnn[n-]2)cc1 ZINC001241444470 821838711 /nfs/dbraw/zinc/83/87/11/821838711.db2.gz CHTWSNGCTOZUAT-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM Cc1ccc2cccnc2c1-c1ccc(-c2nn[n-]n2)cc1 ZINC001241444470 821838718 /nfs/dbraw/zinc/83/87/18/821838718.db2.gz CHTWSNGCTOZUAT-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM Cc1cc(-c2ccc(-c3nnn[n-]3)cc2)cc(C)c1N(C)C ZINC001241443647 821838904 /nfs/dbraw/zinc/83/89/04/821838904.db2.gz JJKCBEUXWAHGCT-UHFFFAOYSA-N -1 3 293.374 3.217 20 0 CGADHM Cc1cc(-c2ccc(-c3nn[n-]n3)cc2)cc(C)c1N(C)C ZINC001241443647 821838907 /nfs/dbraw/zinc/83/89/07/821838907.db2.gz JJKCBEUXWAHGCT-UHFFFAOYSA-N -1 3 293.374 3.217 20 0 CGADHM CSc1ccc(F)cc1-c1ccc(-c2nnn[n-]2)cc1 ZINC001241444395 821839100 /nfs/dbraw/zinc/83/91/00/821839100.db2.gz BGLQGOHTHSXPGP-UHFFFAOYSA-N -1 3 286.335 3.395 20 0 CGADHM CSc1ccc(F)cc1-c1ccc(-c2nn[n-]n2)cc1 ZINC001241444395 821839106 /nfs/dbraw/zinc/83/91/06/821839106.db2.gz BGLQGOHTHSXPGP-UHFFFAOYSA-N -1 3 286.335 3.395 20 0 CGADHM C=COc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001241446131 821839577 /nfs/dbraw/zinc/83/95/77/821839577.db2.gz MGBZVDBLUJALOL-UHFFFAOYSA-N -1 3 264.288 3.056 20 0 CGADHM C=COc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001241446131 821839583 /nfs/dbraw/zinc/83/95/83/821839583.db2.gz MGBZVDBLUJALOL-UHFFFAOYSA-N -1 3 264.288 3.056 20 0 CGADHM c1ccc(C2CC2)c(-c2ccc(-c3nnn[n-]3)cc2)c1 ZINC001241445561 821839970 /nfs/dbraw/zinc/83/99/70/821839970.db2.gz SCCUOSKOGKVKSO-UHFFFAOYSA-N -1 3 262.316 3.411 20 0 CGADHM c1ccc(C2CC2)c(-c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001241445561 821839975 /nfs/dbraw/zinc/83/99/75/821839975.db2.gz SCCUOSKOGKVKSO-UHFFFAOYSA-N -1 3 262.316 3.411 20 0 CGADHM Cc1cncc2c1cccc2-c1ccc(-c2nnn[n-]2)cc1 ZINC001241446056 821840409 /nfs/dbraw/zinc/84/04/09/821840409.db2.gz IPRNVOZYSPTKHZ-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM Cc1cncc2c1cccc2-c1ccc(-c2nn[n-]n2)cc1 ZINC001241446056 821840415 /nfs/dbraw/zinc/84/04/15/821840415.db2.gz IPRNVOZYSPTKHZ-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM COCc1cc(C)c(-c2ccc(-c3nnn[n-]3)cc2)c(C)c1 ZINC001241446339 821842668 /nfs/dbraw/zinc/84/26/68/821842668.db2.gz BUQQCJLYCNQQDD-UHFFFAOYSA-N -1 3 294.358 3.297 20 0 CGADHM COCc1cc(C)c(-c2ccc(-c3nn[n-]n3)cc2)c(C)c1 ZINC001241446339 821842675 /nfs/dbraw/zinc/84/26/75/821842675.db2.gz BUQQCJLYCNQQDD-UHFFFAOYSA-N -1 3 294.358 3.297 20 0 CGADHM Cc1ccc2c(c1)nccc2-c1ccc(-c2nnn[n-]2)cc1 ZINC001241446743 821843140 /nfs/dbraw/zinc/84/31/40/821843140.db2.gz PLFSMRPDEXMWJX-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM Cc1ccc2c(c1)nccc2-c1ccc(-c2nn[n-]n2)cc1 ZINC001241446743 821843146 /nfs/dbraw/zinc/84/31/46/821843146.db2.gz PLFSMRPDEXMWJX-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM Nc1ccc(-c2cc(C(F)(F)F)[n-]c(=S)n2)cc1 ZINC001241539081 821929051 /nfs/dbraw/zinc/92/90/51/821929051.db2.gz PSPHSBHTMSYNFX-UHFFFAOYSA-N -1 3 271.267 3.033 20 0 CGADHM Cc1cc(-c2nnn[n-]2)ccc1-c1ccc2ccncc2c1 ZINC001241677909 822061650 /nfs/dbraw/zinc/06/16/50/822061650.db2.gz SHLKJFIFRAFFJP-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM Cc1cc(-c2nn[n-]n2)ccc1-c1ccc2ccncc2c1 ZINC001241677909 822061662 /nfs/dbraw/zinc/06/16/62/822061662.db2.gz SHLKJFIFRAFFJP-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM Cc1ccc(-c2ccc3c(c2)CCCN3)cc1-c1nnn[n-]1 ZINC001241838287 822174188 /nfs/dbraw/zinc/17/41/88/822174188.db2.gz CLSLPANDYZVLOD-UHFFFAOYSA-N -1 3 291.358 3.200 20 0 CGADHM Cc1ccc(-c2ccc3c(c2)CCCN3)cc1-c1nn[n-]n1 ZINC001241838287 822174192 /nfs/dbraw/zinc/17/41/92/822174192.db2.gz CLSLPANDYZVLOD-UHFFFAOYSA-N -1 3 291.358 3.200 20 0 CGADHM C=Cc1cccc(-c2cc(-c3nnn[n-]3)ccc2F)c1 ZINC001241961815 822248147 /nfs/dbraw/zinc/24/81/47/822248147.db2.gz NAWUSJXUSWPNTG-UHFFFAOYSA-N -1 3 266.279 3.316 20 0 CGADHM C=Cc1cccc(-c2cc(-c3nn[n-]n3)ccc2F)c1 ZINC001241961815 822248153 /nfs/dbraw/zinc/24/81/53/822248153.db2.gz NAWUSJXUSWPNTG-UHFFFAOYSA-N -1 3 266.279 3.316 20 0 CGADHM S=c1ccc(-c2ccc(-c3ccccn3)cc2)n[n-]1 ZINC001241974404 822253634 /nfs/dbraw/zinc/25/36/34/822253634.db2.gz VCCXJYAYDMQUHV-UHFFFAOYSA-N -1 3 265.341 3.494 20 0 CGADHM [O-]c1ccc(-c2ccc3ncnn3c2)cc1C(F)(F)F ZINC001242157182 822898873 /nfs/dbraw/zinc/89/88/73/822898873.db2.gz DBRYBEXBLRSZMF-UHFFFAOYSA-N -1 3 279.221 3.121 20 0 CGADHM COc1cncc(-c2ccc([O-])c(C(F)(F)F)c2)c1 ZINC001242158429 822899120 /nfs/dbraw/zinc/89/91/20/822899120.db2.gz YFBJFVWXAHYJOU-UHFFFAOYSA-N -1 3 269.222 3.482 20 0 CGADHM Cc1cc(-c2ccc([O-])c(C(F)(F)F)c2)cc(=O)o1 ZINC001242162042 822900212 /nfs/dbraw/zinc/90/02/12/822900212.db2.gz JWMBKWJOKYHWLK-UHFFFAOYSA-N -1 3 270.206 3.340 20 0 CGADHM [O-]c1cc(F)ccc1-c1ccc(N2CCOCC2)cc1 ZINC001242218160 822914772 /nfs/dbraw/zinc/91/47/72/822914772.db2.gz VWQNKLMRGNVOEC-UHFFFAOYSA-N -1 3 273.307 3.035 20 0 CGADHM COc1cc(F)c(F)cc1-c1ccc(F)cc1[O-] ZINC001242217628 822914851 /nfs/dbraw/zinc/91/48/51/822914851.db2.gz HOCXOLUMXREKTN-UHFFFAOYSA-N -1 3 254.207 3.485 20 0 CGADHM COC(=O)c1ccc(N(C)C)c(-c2ccc(F)cc2[O-])c1 ZINC001242219395 822915776 /nfs/dbraw/zinc/91/57/76/822915776.db2.gz RJWWLUMVGASRKF-UHFFFAOYSA-N -1 3 289.306 3.051 20 0 CGADHM COC(=O)c1cc(-c2ccc(F)cc2[O-])c(C)cc1OC ZINC001242218570 822915781 /nfs/dbraw/zinc/91/57/81/822915781.db2.gz FTCKDMNKPJIPRG-UHFFFAOYSA-N -1 3 290.290 3.302 20 0 CGADHM COC(=O)c1c[nH]c2cc(-c3ccc(F)cc3[O-])ccc21 ZINC001242219605 822916517 /nfs/dbraw/zinc/91/65/17/822916517.db2.gz XDUDLHCPEAAUQZ-UHFFFAOYSA-N -1 3 285.274 3.466 20 0 CGADHM COC(=O)c1ccc(C)c(-c2ccc(F)cc2[O-])c1 ZINC001242221148 822916879 /nfs/dbraw/zinc/91/68/79/822916879.db2.gz QNGXIALSKHZHPQ-UHFFFAOYSA-N -1 3 260.264 3.293 20 0 CGADHM Cc1c(F)cc(-c2cc(F)cc(-c3nnn[n-]3)c2)cc1F ZINC001242288117 822939651 /nfs/dbraw/zinc/93/96/51/822939651.db2.gz DFKHBXMTNJVUTI-UHFFFAOYSA-N -1 3 290.248 3.259 20 0 CGADHM Cc1c(F)cc(-c2cc(F)cc(-c3nn[n-]n3)c2)cc1F ZINC001242288117 822939652 /nfs/dbraw/zinc/93/96/52/822939652.db2.gz DFKHBXMTNJVUTI-UHFFFAOYSA-N -1 3 290.248 3.259 20 0 CGADHM CC(=O)Nc1ccc(-c2cccc(F)c2[O-])cc1C ZINC001242351178 822961152 /nfs/dbraw/zinc/96/11/52/822961152.db2.gz PLLFNEFTAVCABM-UHFFFAOYSA-N -1 3 259.280 3.465 20 0 CGADHM O=C1c2cccc(-c3cccc(F)c3[O-])c2CN1C1CC1 ZINC001242351184 822961169 /nfs/dbraw/zinc/96/11/69/822961169.db2.gz PUBRWRXMFBRFMY-UHFFFAOYSA-N -1 3 283.302 3.317 20 0 CGADHM Fc1cccc(-c2cccc(-c3nnn[n-]3)c2)c1Cl ZINC001242573825 823039177 /nfs/dbraw/zinc/03/91/77/823039177.db2.gz IECVDGXELRBUPR-UHFFFAOYSA-N -1 3 274.686 3.326 20 0 CGADHM Fc1cccc(-c2cccc(-c3nn[n-]n3)c2)c1Cl ZINC001242573825 823039182 /nfs/dbraw/zinc/03/91/82/823039182.db2.gz IECVDGXELRBUPR-UHFFFAOYSA-N -1 3 274.686 3.326 20 0 CGADHM CC1CCC(=CC(=O)Nc2n[n-]c(-c3ccco3)n2)CC1 ZINC001339117252 936351927 /nfs/dbraw/zinc/35/19/27/936351927.db2.gz DLBKTELHCAMPES-UHFFFAOYSA-N -1 3 286.335 3.140 20 0 CGADHM CC(C)c1oncc1[N-]C(=O)c1scnc1C1CC1 ZINC001339141589 936353316 /nfs/dbraw/zinc/35/33/16/936353316.db2.gz MIFATAOPTZZVMB-UHFFFAOYSA-N -1 3 277.349 3.384 20 0 CGADHM O=C(OCC(F)(F)F)c1cccc2[n-]c(C(F)F)nc21 ZINC001341964071 936456248 /nfs/dbraw/zinc/45/62/48/936456248.db2.gz CHTPSADMBJWBCF-UHFFFAOYSA-N -1 3 294.179 3.220 20 0 CGADHM CC[C@H](N[C@@H](C)c1nc(C)cc(=O)[n-]1)c1ccc(F)cc1 ZINC001344099697 936525728 /nfs/dbraw/zinc/52/57/28/936525728.db2.gz VFEZHAFHBUJKLB-FZMZJTMJSA-N -1 3 289.354 3.432 20 0 CGADHM CC(C)C[C@@H](CNCc1csc(C(C)C)n1)C(=O)[O-] ZINC001345542971 936814114 /nfs/dbraw/zinc/81/41/14/936814114.db2.gz KWPNVIDCRJHSOK-NSHDSACASA-N -1 3 284.425 3.103 20 0 CGADHM CCC1(C(=O)[N-]OC(C)(C)C)CCC(F)(F)CC1 ZINC001351207578 937011495 /nfs/dbraw/zinc/01/14/95/937011495.db2.gz XZVQJGXOBPDONG-UHFFFAOYSA-N -1 3 263.328 3.438 20 0 CGADHM O=C(C=CC1CCCCC1)Nc1n[n-]c(-c2ccco2)n1 ZINC001355033697 937120252 /nfs/dbraw/zinc/12/02/52/937120252.db2.gz HMQITQGFDZWMLK-CMDGGOBGSA-N -1 3 286.335 3.140 20 0 CGADHM S=c1nc(O[C@@H]2C=CCC2)c2ccsc2[n-]1 ZINC001229563432 927352358 /nfs/dbraw/zinc/35/23/58/927352358.db2.gz ACELSFTYFHKXOZ-SSDOTTSWSA-N -1 3 250.348 3.077 20 0 CGADHM CCc1ccc(C(=O)N[C@H]2CCC[C@H](SC)C2)c([O-])c1 ZINC001444076601 937350183 /nfs/dbraw/zinc/35/01/83/937350183.db2.gz CRZGILXYLZEZTQ-STQMWFEESA-N -1 3 293.432 3.359 20 0 CGADHM C[C@H]1CSCCN1C(=O)c1cc2sccc2c([O-])c1 ZINC001444618671 937353478 /nfs/dbraw/zinc/35/34/78/937353478.db2.gz FYPPZQWEOXKDCQ-VIFPVBQESA-N -1 3 293.413 3.184 20 0 CGADHM C[C@H](C(=O)Nc1cc(Cl)ccc1[O-])c1ccncc1 ZINC001446525627 937363667 /nfs/dbraw/zinc/36/36/67/937363667.db2.gz LYKKCCUDQKTQMB-VIFPVBQESA-N -1 3 276.723 3.183 20 0 CGADHM CCCc1[nH]ccc1C(=O)Nc1cc(F)ccc1[O-] ZINC001447288816 937367881 /nfs/dbraw/zinc/36/78/81/937367881.db2.gz NTTGRSOBUAWILB-UHFFFAOYSA-N -1 3 262.284 3.064 20 0 CGADHM CC(C)=CCNC(=O)c1cc2sccc2c([O-])c1 ZINC001447708719 937370208 /nfs/dbraw/zinc/37/02/08/937370208.db2.gz WMBUSWCNUARHDW-UHFFFAOYSA-N -1 3 261.346 3.303 20 0 CGADHM CCC(C)(C)C1CCC(CC(=O)[N-]OCCOC)CC1 ZINC001448863797 937376425 /nfs/dbraw/zinc/37/64/25/937376425.db2.gz FOQJPKCYWRMTSD-UHFFFAOYSA-N -1 3 285.428 3.313 20 0 CGADHM O=C(CCc1cncs1)Nc1c([O-])cccc1Cl ZINC001450261648 937384779 /nfs/dbraw/zinc/38/47/79/937384779.db2.gz MNYTWCSQERYLSM-UHFFFAOYSA-N -1 3 282.752 3.073 20 0 CGADHM CC(C)=C[C@H]1[C@H](C(=O)[N-]OCc2cccc(C)n2)C1(C)C ZINC001454239246 937407437 /nfs/dbraw/zinc/40/74/37/937407437.db2.gz HOSBXVXOPWAKPL-LSDHHAIUSA-N -1 3 288.391 3.176 20 0 CGADHM [O-]c1cc(O)cc(O[C@@H]2C[C@H]3C[C@H]3C2)c1Br ZINC001229099955 932093839 /nfs/dbraw/zinc/09/38/39/932093839.db2.gz NZLDXFPUPVSJOU-SRSLHRDFSA-N -1 3 285.137 3.038 20 0 CGADHM Cc1nc(O[C@@H](c2ccccc2)C2CC2)c(C)c(=O)[n-]1 ZINC001229683665 932188533 /nfs/dbraw/zinc/18/85/33/932188533.db2.gz JJACHKCEOPFQCG-AWEZNQCLSA-N -1 3 270.332 3.329 20 0 CGADHM C[C@@H]1CC[C@@H](Oc2ccccc2-c2nnn[n-]2)C[C@H]1C ZINC001229954940 932509356 /nfs/dbraw/zinc/50/93/56/932509356.db2.gz PXIRJTSUYQKRCN-IJLUTSLNSA-N -1 3 272.352 3.070 20 0 CGADHM C[C@@H]1CC[C@@H](Oc2ccccc2-c2nn[n-]n2)C[C@H]1C ZINC001229954940 932509360 /nfs/dbraw/zinc/50/93/60/932509360.db2.gz PXIRJTSUYQKRCN-IJLUTSLNSA-N -1 3 272.352 3.070 20 0 CGADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)c1ccccc1F ZINC001229956917 932510449 /nfs/dbraw/zinc/51/04/49/932510449.db2.gz GTVFNWWUDSPGDS-JTQLQIEISA-N -1 3 284.294 3.146 20 0 CGADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)c1ccccc1F ZINC001229956917 932510455 /nfs/dbraw/zinc/51/04/55/932510455.db2.gz GTVFNWWUDSPGDS-JTQLQIEISA-N -1 3 284.294 3.146 20 0 CGADHM CCC[C@H](Oc1ccccc1-c1nnn[n-]1)[C@@H](C)CC ZINC001229954795 932510552 /nfs/dbraw/zinc/51/05/52/932510552.db2.gz PNHGECZSCKBWGG-AAEUAGOBSA-N -1 3 274.368 3.460 20 0 CGADHM CCC[C@H](Oc1ccccc1-c1nn[n-]n1)[C@@H](C)CC ZINC001229954795 932510558 /nfs/dbraw/zinc/51/05/58/932510558.db2.gz PNHGECZSCKBWGG-AAEUAGOBSA-N -1 3 274.368 3.460 20 0 CGADHM CCC[C@H](Oc1ccc(-c2nn[n-]n2)cc1)[C@H](C)CC ZINC001231073012 932671202 /nfs/dbraw/zinc/67/12/02/932671202.db2.gz IKAQOKRDXXQTGI-RISCZKNCSA-N -1 3 274.368 3.460 20 0 CGADHM CCC[C@H](C)[C@H](CC)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001231076403 932672810 /nfs/dbraw/zinc/67/28/10/932672810.db2.gz KZTYMAVPNKBHQO-FZMZJTMJSA-N -1 3 274.368 3.460 20 0 CGADHM CC1(C)CCC[C@H](Oc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001231075695 932673117 /nfs/dbraw/zinc/67/31/17/932673117.db2.gz FFQSKCSSDPORNE-ZDUSSCGKSA-N -1 3 272.352 3.214 20 0 CGADHM CCC(CC)(CC)C(=O)[N-]OCCOc1ccccc1 ZINC001305274855 932863835 /nfs/dbraw/zinc/86/38/35/932863835.db2.gz IWPTXIQEBZRSGC-UHFFFAOYSA-N -1 3 279.380 3.330 20 0 CGADHM Cc1ccc(C(=O)N[C@@H]2C[C@@H]2C2CCCCC2)c([O-])c1 ZINC001465515828 937701385 /nfs/dbraw/zinc/70/13/85/937701385.db2.gz ULAIVGLDLXHQQG-HUUCEWRRSA-N -1 3 273.376 3.399 20 0 CGADHM O=C(NC[C@H]1CCCS1)c1cc2sccc2c([O-])c1 ZINC001466073135 937706297 /nfs/dbraw/zinc/70/62/97/937706297.db2.gz YNKOCWLYDUAXJR-SNVBAGLBSA-N -1 3 293.413 3.232 20 0 CGADHM Cc1c(F)ccc(N)c1C(=O)Nc1cc(Cl)ccc1[O-] ZINC001466261356 937707607 /nfs/dbraw/zinc/70/76/07/937707607.db2.gz JAWJMMPSEKLPLM-UHFFFAOYSA-N -1 3 294.713 3.328 20 0 CGADHM Cc1ccc(C2=CCN(C(=O)c3ccccc3[O-])CC2)cn1 ZINC001466434852 937709271 /nfs/dbraw/zinc/70/92/71/937709271.db2.gz IRWPLDHCAPYCPN-UHFFFAOYSA-N -1 3 294.354 3.025 20 0 CGADHM O=C(c1cc2sccc2c([O-])c1)N1Cc2ccncc2C1 ZINC001467841775 937722872 /nfs/dbraw/zinc/72/28/72/937722872.db2.gz YONYABSBRLACNO-UHFFFAOYSA-N -1 3 296.351 3.158 20 0 CGADHM O=C(CC[C@H]1CCc2ccccc21)[N-]OCCC1CC1 ZINC001468412378 937727695 /nfs/dbraw/zinc/72/76/95/937727695.db2.gz BEBBRHUEQKRDLS-OAHLLOKOSA-N -1 3 273.376 3.345 20 0 CGADHM CC[C@@H](C)CCC(=O)Nc1cc(C(=O)OC(C)(C)C)n[n-]1 ZINC001469326919 937738238 /nfs/dbraw/zinc/73/82/38/937738238.db2.gz NXNRJCUFRCYHEG-SNVBAGLBSA-N -1 3 295.383 3.130 20 0 CGADHM CC[C@@H](C)CCC(=O)Nc1cc(C(=O)OC(C)(C)C)[n-]n1 ZINC001469326919 937738240 /nfs/dbraw/zinc/73/82/40/937738240.db2.gz NXNRJCUFRCYHEG-SNVBAGLBSA-N -1 3 295.383 3.130 20 0 CGADHM C[C@@H](C(=O)Nc1c([O-])cccc1Cl)n1cccc1 ZINC001325022193 934883233 /nfs/dbraw/zinc/88/32/33/934883233.db2.gz AUYVCKCJTVGYMH-VIFPVBQESA-N -1 3 264.712 3.047 20 0 CGADHM CC(C)c1nc(CN[C@H](C)[C@@H](C(=O)[O-])C(C)C)cs1 ZINC001325880127 934936848 /nfs/dbraw/zinc/93/68/48/934936848.db2.gz ROTZMDBOXJONHG-PWSUYJOCSA-N -1 3 284.425 3.101 20 0 CGADHM CC(C)c1nc(CN[C@@H](C)[C@@H](C(=O)[O-])C(C)C)cs1 ZINC001325880126 934937154 /nfs/dbraw/zinc/93/71/54/934937154.db2.gz ROTZMDBOXJONHG-JQWIXIFHSA-N -1 3 284.425 3.101 20 0 CGADHM CC(C)=CCC[C@H](C)NC(=O)c1nnc2ccccc2c1[O-] ZINC001326556630 934989481 /nfs/dbraw/zinc/98/94/81/934989481.db2.gz FDDFMPSWZTWHTG-LBPRGKRZSA-N -1 3 299.374 3.200 20 0 CGADHM CC[C@@H](C)[C@@H](NCc1cc2ccccc2o1)C(=O)[O-] ZINC001329241759 935198624 /nfs/dbraw/zinc/19/86/24/935198624.db2.gz BVVAUTMVTILJIK-QMTHXVAHSA-N -1 3 261.321 3.022 20 0 CGADHM CC1CCC(C)(NC(=O)c2c[n-]c3ccccc3c2=O)CC1 ZINC001337045389 936234355 /nfs/dbraw/zinc/23/43/55/936234355.db2.gz ANMGUFBKWJIGFS-UHFFFAOYSA-N -1 3 298.386 3.227 20 0 CGADHM [O-]c1ccc(CN2C[C@H](C3CC3)[C@H]2C2CC2)c(F)c1F ZINC001474531214 937865148 /nfs/dbraw/zinc/86/51/48/937865148.db2.gz KIYJCKXSCTXUAH-MLGOLLRUSA-N -1 3 279.330 3.291 20 0 CGADHM CC(C)c1oncc1[N-]C(=O)c1cnc(CC2CC2)s1 ZINC001514566869 938001975 /nfs/dbraw/zinc/00/19/75/938001975.db2.gz UGRPWKSMWUFKOI-UHFFFAOYSA-N -1 3 291.376 3.459 20 0 CGADHM O=C([N-]c1ccnc(Cl)c1F)c1sccc1F ZINC001525091072 938047627 /nfs/dbraw/zinc/04/76/27/938047627.db2.gz GCSPCDPYXAEWRA-UHFFFAOYSA-N -1 3 274.679 3.327 20 0 CGADHM Cc1nc(C(=O)[N-]c2cc(F)c(F)c(F)c2F)c(C)o1 ZINC001535466472 938101390 /nfs/dbraw/zinc/10/13/90/938101390.db2.gz KVMJDHNBKRMYMB-UHFFFAOYSA-N -1 3 288.200 3.100 20 0 CGADHM Cc1nocc1[N-]C(=O)c1c(F)cccc1Cl ZINC001537836512 938113748 /nfs/dbraw/zinc/11/37/48/938113748.db2.gz BFXBGWGSSLRGQC-UHFFFAOYSA-N -1 3 254.648 3.028 20 0 CGADHM CC(=O)c1ccc(C(=O)Nc2cc(C)ccc2C)cc1[O-] ZINC001538694654 938120183 /nfs/dbraw/zinc/12/01/83/938120183.db2.gz YSVNWHYNNZMAKX-UHFFFAOYSA-N -1 3 283.327 3.464 20 0 CGADHM COc1ccc([C@@H](C)NC(=O)c2c(C)cccc2[O-])cc1 ZINC001540786933 938133987 /nfs/dbraw/zinc/13/39/87/938133987.db2.gz OSAJOMSJSJGATO-GFCCVEGCSA-N -1 3 285.343 3.200 20 0 CGADHM O=C([O-])[C@H]1CN(Cc2cccc(Cl)c2F)C[C@H]1C1CC1 ZINC001549117732 938155571 /nfs/dbraw/zinc/15/55/71/938155571.db2.gz VPKUWLPXARKGDA-RYUDHWBXSA-N -1 3 297.757 3.022 20 0 CGADHM Cc1cccc2c1ncc(C)c2N1CC[C@@H]2[C@H](C1)[C@H]2C(=O)[O-] ZINC001550917809 938172675 /nfs/dbraw/zinc/17/26/75/938172675.db2.gz XXDVSUKBQMMDDD-SNPRPXQTSA-N -1 3 296.370 3.009 20 0 CGADHM CC(C)(C)O[N-]C(=O)[C@H]1C2CCC(CC2)[C@H]1C(F)(F)F ZINC001552136286 938190063 /nfs/dbraw/zinc/19/00/63/938190063.db2.gz IWNCIKYZVSZNLD-WFBLGPOFSA-N -1 3 293.329 3.447 20 0 CGADHM Cc1cc(F)ccc1[C@@H](C)NC(=O)c1ccccc1[O-] ZINC001558263779 938214453 /nfs/dbraw/zinc/21/44/53/938214453.db2.gz UOFVZZOTBQKVGI-LLVKDONJSA-N -1 3 273.307 3.331 20 0 CGADHM C[C@@H](NC(=O)Cc1ccc([O-])c(F)c1)c1ccc(F)cc1 ZINC001558672707 938217018 /nfs/dbraw/zinc/21/70/18/938217018.db2.gz VUZLWKHXVOOIIE-SNVBAGLBSA-N -1 3 291.297 3.090 20 0 CGADHM Cc1cccc([O-])c1C(=O)Nc1nc(-c2ccccc2)c[nH]1 ZINC001558958330 938218600 /nfs/dbraw/zinc/21/86/00/938218600.db2.gz WEYJJBIJVDLKGV-UHFFFAOYSA-N -1 3 293.326 3.343 20 0 CGADHM Cc1cc([C@@H](NCc2ccc(F)cc2)C(=O)[O-])ccc1F ZINC000211795778 959696645 /nfs/dbraw/zinc/69/66/45/959696645.db2.gz PJBMUTMSQZHIQS-OAHLLOKOSA-N -1 3 291.297 3.189 20 0 CGADHM CCC1CCN(Cc2cc(C(=O)[O-])c(C(C)C)[nH]2)CC1 ZINC001595464123 960531359 /nfs/dbraw/zinc/53/13/59/960531359.db2.gz IVLMJCXEWOYCOL-UHFFFAOYSA-N -1 3 278.396 3.458 20 0 CGADHM C[C@@H](NC(=O)Cc1ccc([O-])c(F)c1)c1cccs1 ZINC001567755153 961426685 /nfs/dbraw/zinc/42/66/85/961426685.db2.gz QSUTUBZETJHCGI-SECBINFHSA-N -1 3 279.336 3.013 20 0 CGADHM CC(C)c1ccc(C(=O)Nc2ccn3ccnc3c2)c([O-])c1 ZINC001568610027 961623689 /nfs/dbraw/zinc/62/36/89/961623689.db2.gz FKNKJWPNSONRSX-UHFFFAOYSA-N -1 3 295.342 3.416 20 0 CGADHM CSc1ccc([O-])c(C(=O)NC[C@@H]2C[C@H]2C(C)C)c1 ZINC001569143027 961703815 /nfs/dbraw/zinc/70/38/15/961703815.db2.gz QLFLEMUWQZYOGO-JQWIXIFHSA-N -1 3 279.405 3.136 20 0 CGADHM CC(C)(C)c1ccncc1CNCc1cccc(C(=O)[O-])c1 ZINC001573463780 962262170 /nfs/dbraw/zinc/26/21/70/962262170.db2.gz NWPSANYXOMPGMR-UHFFFAOYSA-N -1 3 298.386 3.367 20 0 CGADHM O=C([O-])C1(CCN[C@H](C(F)F)C2CCCCC2)CCC1 ZINC001574638022 962321282 /nfs/dbraw/zinc/32/12/82/962321282.db2.gz DLCDZPHOBDOJHR-LBPRGKRZSA-N -1 3 289.366 3.435 20 0 CGADHM CC1(C)CCC(Nc2cc(F)cc(-c3nnn[n-]3)c2)CC1 ZINC001575668184 962412686 /nfs/dbraw/zinc/41/26/86/962412686.db2.gz IENVIVBLZWJCIT-UHFFFAOYSA-N -1 3 289.358 3.387 20 0 CGADHM CC1(C)CCC(Nc2cc(F)cc(-c3nn[n-]n3)c2)CC1 ZINC001575668184 962412709 /nfs/dbraw/zinc/41/27/09/962412709.db2.gz IENVIVBLZWJCIT-UHFFFAOYSA-N -1 3 289.358 3.387 20 0 CGADHM Cc1cccc(-c2nnn[n-]2)c1SCC1(C)CCC1 ZINC001581219053 962755883 /nfs/dbraw/zinc/75/58/83/962755883.db2.gz FUPAZQSYZKKUSH-UHFFFAOYSA-N -1 3 274.393 3.457 20 0 CGADHM Cc1cccc(-c2nn[n-]n2)c1SCC1(C)CCC1 ZINC001581219053 962755892 /nfs/dbraw/zinc/75/58/92/962755892.db2.gz FUPAZQSYZKKUSH-UHFFFAOYSA-N -1 3 274.393 3.457 20 0 CGADHM C[C@H](NC(=O)c1ccccc1[O-])c1ccc2c(c1)CCCO2 ZINC001585269387 962998341 /nfs/dbraw/zinc/99/83/41/962998341.db2.gz RXTWWPVDQUHZJU-LBPRGKRZSA-N -1 3 297.354 3.208 20 0 CGADHM CCc1cccc(C(=O)Nc2cc(F)cc(F)c2)c1[O-] ZINC001587611335 963210871 /nfs/dbraw/zinc/21/08/71/963210871.db2.gz NBFSQSBUEAIKKJ-UHFFFAOYSA-N -1 3 277.270 3.485 20 0 CGADHM CC(C(=O)Nc1cc(C)cc(-c2nnn[n-]2)c1)=C1CCCC1 ZINC001589011655 963338175 /nfs/dbraw/zinc/33/81/75/963338175.db2.gz HYZBTLCDXDCYER-UHFFFAOYSA-N -1 3 297.362 3.004 20 0 CGADHM CC(C(=O)Nc1cc(C)cc(-c2nn[n-]n2)c1)=C1CCCC1 ZINC001589011655 963338187 /nfs/dbraw/zinc/33/81/87/963338187.db2.gz HYZBTLCDXDCYER-UHFFFAOYSA-N -1 3 297.362 3.004 20 0 CGADHM CC(C)(C)C[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC001589118942 963341681 /nfs/dbraw/zinc/34/16/81/963341681.db2.gz JWQNZCUCHPRCBL-AWEZNQCLSA-N -1 3 285.395 3.272 20 0 CGADHM CC[C@H](C)C[C@@H](C)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC000315346265 963886670 /nfs/dbraw/zinc/88/66/70/963886670.db2.gz OTXHEZZWGOGMSX-IVZWLZJFSA-N -1 3 270.398 3.317 20 0 CGADHM CC(C)=CCCSc1ccc(-c2nnn[n-]2)cc1 ZINC001589377814 963983826 /nfs/dbraw/zinc/98/38/26/963983826.db2.gz WWBOTBSMOSULHP-UHFFFAOYSA-N -1 3 260.366 3.315 20 0 CGADHM CC(C)=CCCSc1ccc(-c2nn[n-]n2)cc1 ZINC001589377814 963983832 /nfs/dbraw/zinc/98/38/32/963983832.db2.gz WWBOTBSMOSULHP-UHFFFAOYSA-N -1 3 260.366 3.315 20 0 CGADHM CC(C)Cc1ccc(Nc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC001589663628 964018461 /nfs/dbraw/zinc/01/84/61/964018461.db2.gz QNQVRFJDGNJKAG-UHFFFAOYSA-N -1 3 294.362 3.204 20 0 CGADHM CC(C)Cc1ccc(Nc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC001589663628 964018478 /nfs/dbraw/zinc/01/84/78/964018478.db2.gz QNQVRFJDGNJKAG-UHFFFAOYSA-N -1 3 294.362 3.204 20 0 CGADHM C[C@H](N(C)Cc1nc2cc(C(=O)[O-])ccc2[nH]1)C(C)(C)C ZINC001592950901 980032954 /nfs/dbraw/zinc/03/29/54/980032954.db2.gz UVVSMPWKYQJAIE-JTQLQIEISA-N -1 3 289.379 3.128 20 0 CGADHM CCCc1nc(CN[C@@]2(C)CCCC[C@H]2C(=O)[O-])cs1 ZINC001596089933 983414925 /nfs/dbraw/zinc/41/49/25/983414925.db2.gz QXABAKBRKLITKW-WFASDCNBSA-N -1 3 296.436 3.219 20 0 CGADHM CC(C)(F)CCN[C@H](C(=O)[O-])c1c(F)cccc1Cl ZINC001590834166 990691698 /nfs/dbraw/zinc/69/16/98/990691698.db2.gz XHWMGCWZTWIPOE-NSHDSACASA-N -1 3 291.725 3.333 20 0 CGADHM C[C@H]1CC[C@@](NCc2cccnc2)(C(=O)[O-])c2ccccc21 ZINC001594321456 999235941 /nfs/dbraw/zinc/23/59/41/999235941.db2.gz ROTUPGVPDVEXKP-UGSOOPFHSA-N -1 3 296.370 3.049 20 0 CGADHM C[C@H](c1ncc(C(=O)[O-])s1)N(C)[C@@H]1CCC[C@@H](C)C1 ZINC001594348572 999321537 /nfs/dbraw/zinc/32/15/37/999321537.db2.gz PVIOAMYQIJEPHS-GMTAPVOTSA-N -1 3 282.409 3.413 20 0 CGADHM CN(C[C@@H]1CC1(C)C)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000621043662 349449104 /nfs/dbraw/zinc/44/91/04/349449104.db2.gz LETPJLQNGMMWCM-ZDUSSCGKSA-N -1 3 293.382 3.359 20 0 CGADHM FC(F)(F)c1csc(=NC2CC3(CCC3)C2)[n-]1 ZINC000651473405 398251050 /nfs/dbraw/zinc/25/10/50/398251050.db2.gz MJOMBMKQBHTXDI-UHFFFAOYSA-N -1 3 262.300 3.328 20 0 CGADHM CC(C)c1ccc(C(=O)NCCOC(C)(C)C)c([O-])c1 ZINC000622064908 349625307 /nfs/dbraw/zinc/62/53/07/349625307.db2.gz IYPVUSXLUKQDFZ-UHFFFAOYSA-N -1 3 279.380 3.061 20 0 CGADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1C[C@@H]2CCCC[C@@H]21 ZINC000622131319 349633346 /nfs/dbraw/zinc/63/33/46/349633346.db2.gz MDSFLCGCPPOEKB-ZANVPECISA-N -1 3 299.292 3.426 20 0 CGADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1CC(CC2CC2)C1 ZINC000622246835 349659399 /nfs/dbraw/zinc/65/93/99/349659399.db2.gz GMCIYKVWECKBDJ-UHFFFAOYSA-N -1 3 299.292 3.283 20 0 CGADHM CC[C@@H]1C[C@H](NCc2cccc([O-])c2Cl)CCO1 ZINC000421384989 529447097 /nfs/dbraw/zinc/44/70/97/529447097.db2.gz MUCWJOQKTBBVDY-VXGBXAGGSA-N -1 3 269.772 3.093 20 0 CGADHM CC(C)c1ccc(C(=O)NC2Cc3ccccc3C2)c([O-])c1 ZINC000622511502 349684138 /nfs/dbraw/zinc/68/41/38/349684138.db2.gz DWQFXARBBWUWKB-UHFFFAOYSA-N -1 3 295.382 3.413 20 0 CGADHM O=C(N[C@@H](C1CCC1)C1CCCC1)c1ccccc1[O-] ZINC000622736977 349697702 /nfs/dbraw/zinc/69/77/02/349697702.db2.gz PANKTYHQAXAPBJ-MRXNPFEDSA-N -1 3 273.376 3.481 20 0 CGADHM CCc1ccc(-c2nc([C@@](C)(OC)C3CC3)no2)c([O-])c1 ZINC000436951133 529577592 /nfs/dbraw/zinc/57/75/92/529577592.db2.gz DKWHIVNWHIBXTH-INIZCTEOSA-N -1 3 288.347 3.276 20 0 CGADHM CCc1ccc(C(=O)N2CC[C@@H](c3ccco3)C2)c([O-])c1 ZINC000364993045 529600018 /nfs/dbraw/zinc/60/00/18/529600018.db2.gz WAAHWRHMILTMMG-CYBMUJFWSA-N -1 3 285.343 3.177 20 0 CGADHM CCc1ccc(C(=O)N2CC[C@](C)(CC)C2)c([O-])c1 ZINC000436830092 529600865 /nfs/dbraw/zinc/60/08/65/529600865.db2.gz NGZBFIKYRHGZHR-INIZCTEOSA-N -1 3 261.365 3.217 20 0 CGADHM CCc1cccnc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000436885112 529620167 /nfs/dbraw/zinc/62/01/67/529620167.db2.gz NBOLYVJCAPFHFF-UHFFFAOYSA-N -1 3 276.723 3.255 20 0 CGADHM CCc1ccc(CN(C)C(=O)c2cccc(OC)c2[O-])cc1 ZINC000436708580 529634974 /nfs/dbraw/zinc/63/49/74/529634974.db2.gz VQOYREWFTWPKGC-UHFFFAOYSA-N -1 3 299.370 3.235 20 0 CGADHM CC[C@H](C)N(C)C(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC000412171201 529686567 /nfs/dbraw/zinc/68/65/67/529686567.db2.gz DNMAAPAMDVDATF-VIFPVBQESA-N -1 3 292.766 3.052 20 0 CGADHM CCc1ccc(O)c(NC(=O)c2ccc(C(C)=O)c([O-])c2)c1 ZINC000436653180 529693253 /nfs/dbraw/zinc/69/32/53/529693253.db2.gz AKIFKVHFSPNSRT-UHFFFAOYSA-N -1 3 299.326 3.115 20 0 CGADHM CCc1ccc([C@H](C)NC(=O)c2cc(OC)ccc2[O-])cc1 ZINC000436612298 529721129 /nfs/dbraw/zinc/72/11/29/529721129.db2.gz MFKRRWRVNHDDAT-LBPRGKRZSA-N -1 3 299.370 3.454 20 0 CGADHM CCCc1nc(C)c(NCc2nc(C)ccc2[O-])s1 ZINC000351491429 219103937 /nfs/dbraw/zinc/10/39/37/219103937.db2.gz GSOABIIOLOBIJQ-UHFFFAOYSA-N -1 3 277.393 3.425 20 0 CGADHM CCC[C@@H](CNCc1cccc([O-])c1Cl)OCC ZINC000623599787 349845918 /nfs/dbraw/zinc/84/59/18/349845918.db2.gz RBULCVWUZPYIKV-LBPRGKRZSA-N -1 3 271.788 3.340 20 0 CGADHM Cc1cc(F)ccc1NC(=O)c1cc(-c2ccco2)[n-]n1 ZINC000028965315 344915363 /nfs/dbraw/zinc/91/53/63/344915363.db2.gz QSDQCUIXSSXNPH-UHFFFAOYSA-N -1 3 285.278 3.370 20 0 CGADHM Cc1cc(F)ccc1NC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000028965315 344915364 /nfs/dbraw/zinc/91/53/64/344915364.db2.gz QSDQCUIXSSXNPH-UHFFFAOYSA-N -1 3 285.278 3.370 20 0 CGADHM O=C([O-])C[C@H]1CCCN1Cc1ccccc1C(F)(F)F ZINC000042162865 344980342 /nfs/dbraw/zinc/98/03/42/344980342.db2.gz JFOYGWJTXLQMFT-LLVKDONJSA-N -1 3 287.281 3.145 20 0 CGADHM O=C([O-])c1ccc(CNC/C=C\c2ccccc2)cc1 ZINC000045009610 345018713 /nfs/dbraw/zinc/01/87/13/345018713.db2.gz FONTVIJPUHPZKR-DAXSKMNVSA-N -1 3 267.328 3.188 20 0 CGADHM O=C([N-]c1cnoc1)c1cc2sccc2s1 ZINC000623940159 349922899 /nfs/dbraw/zinc/92/28/99/349922899.db2.gz TYBNBOAWADOPEQ-UHFFFAOYSA-N -1 3 250.304 3.203 20 0 CGADHM Cc1cc(N2CCC[C@H](CC(=O)[O-])C2)c2ccccc2n1 ZINC000054297821 345131938 /nfs/dbraw/zinc/13/19/38/345131938.db2.gz LRJIFGXBWXQHQV-CYBMUJFWSA-N -1 3 284.359 3.234 20 0 CGADHM O=C(CCc1nccs1)Nc1cc(Cl)ccc1[O-] ZINC000055340320 345147726 /nfs/dbraw/zinc/14/77/26/345147726.db2.gz BYJCOSHOCZBSKA-UHFFFAOYSA-N -1 3 282.752 3.073 20 0 CGADHM C[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2Cl)C1 ZINC000062876885 345240930 /nfs/dbraw/zinc/24/09/30/345240930.db2.gz JQZOKJCIPUXLSY-CQSZACIVSA-N -1 3 267.756 3.027 20 0 CGADHM CCC(CC)c1nnc([N-]C(=O)c2cscn2)s1 ZINC000063452047 345247038 /nfs/dbraw/zinc/24/70/38/345247038.db2.gz IOTLUAZKLWGMEO-UHFFFAOYSA-N -1 3 282.394 3.151 20 0 CGADHM CC(C)c1ccc(C(=O)N2C[C@H](C)[C@H](C)C2)c([O-])c1 ZINC000075412056 345507246 /nfs/dbraw/zinc/50/72/46/345507246.db2.gz NATMFSSUAAAOKH-TXEJJXNPSA-N -1 3 261.365 3.244 20 0 CGADHM CC(C)c1ccc(C(=O)N(C)Cc2nccs2)c([O-])c1 ZINC000074831423 345484430 /nfs/dbraw/zinc/48/44/30/345484430.db2.gz BJOVAILUAUYBJZ-UHFFFAOYSA-N -1 3 290.388 3.244 20 0 CGADHM CC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccs1 ZINC000075943496 345528132 /nfs/dbraw/zinc/52/81/32/345528132.db2.gz UHLWVNQIHAIWHR-ZDUSSCGKSA-N -1 3 295.429 3.048 20 0 CGADHM CCO[C@H](CC(=O)Nc1ccccc1[O-])C1=CCCC1 ZINC000080752635 345686017 /nfs/dbraw/zinc/68/60/17/345686017.db2.gz QRCFVHBBTLKFDP-OAHLLOKOSA-N -1 3 275.348 3.236 20 0 CGADHM Cc1nc(C)c(NC(=O)c2ccc(C)cc2[O-])s1 ZINC000081566228 345713869 /nfs/dbraw/zinc/71/38/69/345713869.db2.gz MDLIEISDHSSRTH-UHFFFAOYSA-N -1 3 262.334 3.026 20 0 CGADHM O=S(=O)([N-]C1CCCCC1)c1cc(F)ccc1Cl ZINC000169093397 232265752 /nfs/dbraw/zinc/26/57/52/232265752.db2.gz QODZFGGFQKXIJQ-UHFFFAOYSA-N -1 3 291.775 3.090 20 0 CGADHM [O-]c1cccc(CN2CC[C@@H](C3CC3)C2)c1Cl ZINC000351687698 219175347 /nfs/dbraw/zinc/17/53/47/219175347.db2.gz YUIQVUUXNAHQJN-LLVKDONJSA-N -1 3 251.757 3.278 20 0 CGADHM CC(C)[C@@]1(C(=O)[O-])CCN([C@@H](C)c2ccc(F)cc2F)C1 ZINC000232792285 346327954 /nfs/dbraw/zinc/32/79/54/346327954.db2.gz VAAXYTLUSVNPCO-MEDUHNTESA-N -1 3 297.345 3.459 20 0 CGADHM O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1cc(F)ccc1Cl ZINC000229224619 346316232 /nfs/dbraw/zinc/31/62/32/346316232.db2.gz RXHKVXFPHJFEGP-IUPBHXKESA-N -1 3 297.757 3.164 20 0 CGADHM CC[C@H](CSC)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000281638122 346418523 /nfs/dbraw/zinc/41/85/23/346418523.db2.gz QYBXTCKGLFKVPT-CYBMUJFWSA-N -1 3 289.400 3.417 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H](C)[C@@H]2C)c(F)c1 ZINC000303167457 346442805 /nfs/dbraw/zinc/44/28/05/346442805.db2.gz AUVZQDXAGWHKNR-SGMGOOAPSA-N -1 3 299.411 3.237 20 0 CGADHM F[C@@H]1CCC[C@@H](c2nc(-c3ccc4n[n-]nc4c3)no2)C1 ZINC000351448695 346538435 /nfs/dbraw/zinc/53/84/35/346538435.db2.gz CTPPLGHQRCDDBG-NXEZZACHSA-N -1 3 287.298 3.004 20 0 CGADHM CCN(C(=O)c1cc(C(F)(F)F)n[n-]1)c1ccccc1 ZINC000339244995 215038321 /nfs/dbraw/zinc/03/83/21/215038321.db2.gz AVCNCUDMZNCORV-UHFFFAOYSA-N -1 3 283.253 3.095 20 0 CGADHM CCN(C(=O)c1cc(C(F)(F)F)[n-]n1)c1ccccc1 ZINC000339244995 215038324 /nfs/dbraw/zinc/03/83/24/215038324.db2.gz AVCNCUDMZNCORV-UHFFFAOYSA-N -1 3 283.253 3.095 20 0 CGADHM CSCC1(Cc2noc(-c3cc(C)ccc3[O-])n2)CC1 ZINC000596608752 347487845 /nfs/dbraw/zinc/48/78/45/347487845.db2.gz KDJVQWQYAZQMQO-UHFFFAOYSA-N -1 3 290.388 3.436 20 0 CGADHM Cc1noc(CSCc2cc([O-])ccc2Cl)n1 ZINC000600623565 347816832 /nfs/dbraw/zinc/81/68/32/347816832.db2.gz ZJWJERBFDGUOTH-UHFFFAOYSA-N -1 3 270.741 3.170 20 0 CGADHM CSC1CCN([C@H](C)c2cc(C)c(C(=O)[O-])o2)CC1 ZINC000601963757 347930225 /nfs/dbraw/zinc/93/02/25/347930225.db2.gz MFZYUNMIPIRHPY-SNVBAGLBSA-N -1 3 283.393 3.175 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)[C@H](C)C(C)C)c1-c1ccccc1 ZINC000603547402 348089550 /nfs/dbraw/zinc/08/95/50/348089550.db2.gz RNVHTUWSNXZRGM-LLVKDONJSA-N -1 3 271.364 3.038 20 0 CGADHM C[C@@H](C(=O)N=c1cc(-c2ccccc2)[n-][nH]1)c1ccsc1 ZINC000606530621 348190252 /nfs/dbraw/zinc/19/02/52/348190252.db2.gz AGMCQHKBGRKTME-LLVKDONJSA-N -1 3 297.383 3.302 20 0 CGADHM Cc1noc(C)c1NC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000273331890 192115496 /nfs/dbraw/zinc/11/54/96/192115496.db2.gz SODYSMADVFEXHN-UHFFFAOYSA-N -1 3 286.331 3.128 20 0 CGADHM CCn1c(=O)[n-]nc1SCCC1CCCCC1 ZINC000608101558 348286272 /nfs/dbraw/zinc/28/62/72/348286272.db2.gz GZYFCMJFJFFLRT-UHFFFAOYSA-N -1 3 255.387 3.066 20 0 CGADHM Cc1cnccc1NC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000357851593 233017040 /nfs/dbraw/zinc/01/70/40/233017040.db2.gz VDRGQFNEFLZWIF-UHFFFAOYSA-N -1 3 291.763 3.260 20 0 CGADHM CC[C@H]1C[C@H](C)CN1C(=O)c1cc(SC)ccc1[O-] ZINC000611747883 348473882 /nfs/dbraw/zinc/47/38/82/348473882.db2.gz ONOXYBWTYRKWBC-QWRGUYRKSA-N -1 3 279.405 3.375 20 0 CGADHM CO[C@@H](C(=O)Nc1cc(F)ccc1[O-])C1CCCCC1 ZINC000613026642 348560123 /nfs/dbraw/zinc/56/01/23/348560123.db2.gz HGSIEIYAIQEEBU-CQSZACIVSA-N -1 3 281.327 3.065 20 0 CGADHM O=C(Nc1cccc([O-])c1F)[C@H]1CCCC2(CC2)C1 ZINC000613110040 348564853 /nfs/dbraw/zinc/56/48/53/348564853.db2.gz JTRSYPITKIPTNB-JTQLQIEISA-N -1 3 263.312 3.440 20 0 CGADHM Cc1ccncc1CC(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000613577468 348620337 /nfs/dbraw/zinc/62/03/37/348620337.db2.gz YELDSDOBRPPUDC-ZDUSSCGKSA-N -1 3 296.370 3.179 20 0 CGADHM CO[C@@H](C(=O)Nc1c([O-])cccc1Cl)C1CCCC1 ZINC000615321263 348732156 /nfs/dbraw/zinc/73/21/56/348732156.db2.gz CNSVAWBBQAWPNB-CYBMUJFWSA-N -1 3 283.755 3.189 20 0 CGADHM C[C@H]1C[C@H]1c1ccc(CNC(=O)c2ccccc2[O-])o1 ZINC000614755525 348692377 /nfs/dbraw/zinc/69/23/77/348692377.db2.gz YMOXZKUHTJKLHC-GXFFZTMASA-N -1 3 271.316 3.039 20 0 CGADHM C[C@H]1CC[C@H](CC(=O)NCc2ccc([O-])c3ncccc23)C1 ZINC000616024976 348782127 /nfs/dbraw/zinc/78/21/27/348782127.db2.gz IURZXBPJYBLWDU-STQMWFEESA-N -1 3 298.386 3.383 20 0 CGADHM CC[C@@H](C)N(CC)C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000616979891 348890620 /nfs/dbraw/zinc/89/06/20/348890620.db2.gz ZXVOOWMWQRCUIU-LLVKDONJSA-N -1 3 291.391 3.366 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-]CC[C@@H]2CCC[C@@H](C)C2)o1 ZINC000358426044 233131237 /nfs/dbraw/zinc/13/12/37/233131237.db2.gz MKKYSCCYYNODIS-YPMHNXCESA-N -1 3 285.409 3.083 20 0 CGADHM CC[C@H](C)CCNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000617640215 348993981 /nfs/dbraw/zinc/99/39/81/348993981.db2.gz VQLZLEXXZFCSBH-LBPRGKRZSA-N -1 3 281.371 3.406 20 0 CGADHM COc1cccc(OC)c1C=Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000352008621 219286583 /nfs/dbraw/zinc/28/65/83/219286583.db2.gz QPOZNSPYBPVVIY-CMDGGOBGSA-N -1 3 298.342 3.247 20 0 CGADHM O=C(NC[C@@H]1CCC[C@@H]2C[C@@H]21)c1cc([O-])ccc1Cl ZINC000618500585 349094148 /nfs/dbraw/zinc/09/41/48/349094148.db2.gz USPBQIYWAJMBMP-SCVCMEIPSA-N -1 3 279.767 3.212 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2ccsc2Cl)n1 ZINC000352025939 219293072 /nfs/dbraw/zinc/29/30/72/219293072.db2.gz GWWGJIZAVFWMSE-NSCUHMNNSA-N -1 3 252.726 3.376 20 0 CGADHM CCc1cccc(C(=O)N2CCC[C@H](CCF)C2)c1[O-] ZINC000618695511 349145917 /nfs/dbraw/zinc/14/59/17/349145917.db2.gz DSOFHIHNTPNCFO-GFCCVEGCSA-N -1 3 279.355 3.166 20 0 CGADHM COc1cccc(C(=O)N2CCC[C@H](C3CCC3)C2)c1[O-] ZINC000620215418 349341860 /nfs/dbraw/zinc/34/18/60/349341860.db2.gz SKIFGMVKZJRBKU-ZDUSSCGKSA-N -1 3 289.375 3.053 20 0 CGADHM CCc1cc(C(=O)N[C@H](C(C)C)C2CC2)ccc1[O-] ZINC000620045037 349317926 /nfs/dbraw/zinc/31/79/26/349317926.db2.gz SNCCODCBPXZNID-OAHLLOKOSA-N -1 3 261.365 3.119 20 0 CGADHM O=C(c1csc(=O)[n-]1)N1CCCC[C@H]1CC1CCC1 ZINC000620568349 349384945 /nfs/dbraw/zinc/38/49/45/349384945.db2.gz LVMSPQUTTPBGNF-NSHDSACASA-N -1 3 280.393 3.034 20 0 CGADHM CC[C@@H]1CCC[C@H](C)N1C(=O)c1cc(OC)ccc1[O-] ZINC000620576227 349388312 /nfs/dbraw/zinc/38/83/12/349388312.db2.gz WRQXEQGCNWJELM-NWDGAFQWSA-N -1 3 277.364 3.194 20 0 CGADHM CN(C[C@@H]1CCc2ccccc21)C(=O)c1ccccc1[O-] ZINC000620683984 349410670 /nfs/dbraw/zinc/41/06/70/349410670.db2.gz YOJMAEWYKKIGPC-AWEZNQCLSA-N -1 3 281.355 3.194 20 0 CGADHM Cc1cccc([O-])c1C(=O)Nc1ccnn1[C@H](C)C1CC1 ZINC000625140683 350132523 /nfs/dbraw/zinc/13/25/23/350132523.db2.gz AEZJZYLPZPTCKC-LLVKDONJSA-N -1 3 285.347 3.120 20 0 CGADHM CCCC1CCC(N(C)C(=O)c2csc(=O)[n-]2)CC1 ZINC000352065267 219308472 /nfs/dbraw/zinc/30/84/72/219308472.db2.gz JFYMNUQUEVFCRY-UHFFFAOYSA-N -1 3 282.409 3.280 20 0 CGADHM CN(Cc1nccs1)Cc1cc([O-])ccc1Cl ZINC000625206965 350140995 /nfs/dbraw/zinc/14/09/95/350140995.db2.gz YRLGFNHFKFQXLH-UHFFFAOYSA-N -1 3 268.769 3.134 20 0 CGADHM CCCN(C[C@H]1CCCCO1)C(=O)c1c(C)cccc1[O-] ZINC000625340609 350161635 /nfs/dbraw/zinc/16/16/35/350161635.db2.gz PALJLLGBVNMOCD-CQSZACIVSA-N -1 3 291.391 3.122 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CCC[C@@H]2CCC[C@H]21 ZINC000625840565 350218248 /nfs/dbraw/zinc/21/82/48/350218248.db2.gz QLZZTOQHELULSQ-QWHCGFSZSA-N -1 3 259.349 3.105 20 0 CGADHM CC[C@]1(C)CCCN(C(=O)c2c(C)cccc2[O-])C1 ZINC000625897371 350224991 /nfs/dbraw/zinc/22/49/91/350224991.db2.gz YWCIDZVNYKFKFN-MRXNPFEDSA-N -1 3 261.365 3.353 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CCC[C@@H](C(C)C)C1 ZINC000626590865 350321176 /nfs/dbraw/zinc/32/11/76/350321176.db2.gz NVGCGLASTCPQKN-CYBMUJFWSA-N -1 3 261.365 3.209 20 0 CGADHM CCO[C@H](C(=O)Nc1cc(Cl)cc(C)c1[O-])C1CC1 ZINC000626281422 350291480 /nfs/dbraw/zinc/29/14/80/350291480.db2.gz ZBMYIAGAZKQKSP-ZDUSSCGKSA-N -1 3 283.755 3.108 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)C23CC(C2)C3)c1[O-] ZINC000626281200 350291528 /nfs/dbraw/zinc/29/15/28/350291528.db2.gz NFPQFOLFIZYPLN-UHFFFAOYSA-N -1 3 251.713 3.093 20 0 CGADHM CC[C@@H](C)n1ncc(NC(=O)c2c(C)cccc2[O-])c1C ZINC000626641308 350326443 /nfs/dbraw/zinc/32/64/43/350326443.db2.gz POXBILMXEUNWQS-LLVKDONJSA-N -1 3 287.363 3.429 20 0 CGADHM CC(C)CC[C@@H](C)NC(=O)c1c[n-]nc1-c1ccccn1 ZINC000352162401 219343250 /nfs/dbraw/zinc/34/32/50/219343250.db2.gz MNSIXACZKQWBDI-GFCCVEGCSA-N -1 3 286.379 3.026 20 0 CGADHM Cc1cccc([O-])c1C(=O)N[C@H](C(C)C)C(F)(F)F ZINC000627762724 350380756 /nfs/dbraw/zinc/38/07/56/350380756.db2.gz NRKQTFSFSJLCEK-LLVKDONJSA-N -1 3 275.270 3.017 20 0 CGADHM CCC(O)(CC)C(C)(C)CNC(=O)c1c(C)cccc1[O-] ZINC000628051950 350394791 /nfs/dbraw/zinc/39/47/91/350394791.db2.gz UEKQRJYCCQTFKQ-UHFFFAOYSA-N -1 3 293.407 3.008 20 0 CGADHM CC[C@H](NC(=O)c1cc([O-])cc(Br)c1)C1CC1 ZINC000628101924 350399329 /nfs/dbraw/zinc/39/93/29/350399329.db2.gz LJCPDTWPWFZZQL-LBPRGKRZSA-N -1 3 298.180 3.073 20 0 CGADHM O=C([O-])[C@@H](c1ccc(F)cc1)N1CCCC(F)(F)CC1 ZINC000629368072 350679864 /nfs/dbraw/zinc/67/98/64/350679864.db2.gz IUQQQCBZDGRJEW-GFCCVEGCSA-N -1 3 287.281 3.073 20 0 CGADHM O=C([O-])[C@@H]1CCN(Cc2ccc(Cl)cc2)[C@@H]2CCC[C@@H]21 ZINC000629372807 350681349 /nfs/dbraw/zinc/68/13/49/350681349.db2.gz IALVDAYCIICWGS-RBSFLKMASA-N -1 3 293.794 3.415 20 0 CGADHM O=C([O-])[C@@H]1CCN(Cc2cccc(Cl)c2)[C@H]2CCC[C@H]21 ZINC000629374601 350682146 /nfs/dbraw/zinc/68/21/46/350682146.db2.gz XUPOWERYJKKSSD-ZNMIVQPWSA-N -1 3 293.794 3.415 20 0 CGADHM O=C([O-])[C@@H]1CCN(Cc2ccccc2Cl)[C@@H]2CCC[C@H]21 ZINC000629374570 350682292 /nfs/dbraw/zinc/68/22/92/350682292.db2.gz XFKATRKJVWDHNW-GZBFAFLISA-N -1 3 293.794 3.415 20 0 CGADHM C[C@@H]1CN(CCc2c(F)cccc2Cl)CC[C@H]1C(=O)[O-] ZINC000629495037 350696781 /nfs/dbraw/zinc/69/67/81/350696781.db2.gz GVBKSSRVARHUKA-GHMZBOCLSA-N -1 3 299.773 3.064 20 0 CGADHM CCc1cc(C(=O)N2CCCC3(CC3)CC2)ccc1[O-] ZINC000629643160 350727083 /nfs/dbraw/zinc/72/70/83/350727083.db2.gz KTPDDOJDLSBBSD-UHFFFAOYSA-N -1 3 273.376 3.361 20 0 CGADHM C[C@@H]1CN(Cc2cc3cc(F)ccc3o2)CC[C@H]1C(=O)[O-] ZINC000629772739 350766732 /nfs/dbraw/zinc/76/67/32/350766732.db2.gz WDPMEYRFWDJNGK-QMTHXVAHSA-N -1 3 291.322 3.115 20 0 CGADHM C[C@H](CN1CC[C@@H](C(=O)[O-])[C@H](C)C1)c1cc(F)cc(F)c1 ZINC000629774277 350767030 /nfs/dbraw/zinc/76/70/30/350767030.db2.gz VSHWKXIMNZMOST-UEKVPHQBSA-N -1 3 297.345 3.111 20 0 CGADHM C/C=C/C[C@H]1CCCN(C(=O)c2cccc([O-])c2)C1 ZINC000629879772 350784724 /nfs/dbraw/zinc/78/47/24/350784724.db2.gz RNXCCECZJGKAFI-IBUXWKBASA-N -1 3 259.349 3.211 20 0 CGADHM CC(C)(C)c1cc2c([n-]c(-c3cncnc3)nc2=O)s1 ZINC000630386450 350831127 /nfs/dbraw/zinc/83/11/27/350831127.db2.gz VYMRXQRIZGLIIC-UHFFFAOYSA-N -1 3 286.360 3.151 20 0 CGADHM CC[C@@H](c1ccccc1)S(=O)(=O)c1ncc(C(C)C)[n-]1 ZINC000630432999 350839356 /nfs/dbraw/zinc/83/93/56/350839356.db2.gz ZAWFHHNXSXXGTG-AWEZNQCLSA-N -1 3 292.404 3.458 20 0 CGADHM CC[C@@H](c1ccccc1)S(=O)(=O)c1nc(C(C)C)c[n-]1 ZINC000630432999 350839359 /nfs/dbraw/zinc/83/93/59/350839359.db2.gz ZAWFHHNXSXXGTG-AWEZNQCLSA-N -1 3 292.404 3.458 20 0 CGADHM Cc1ccc(NC(=O)C2(C(F)F)CCC2)c([O-])c1 ZINC000630438925 350840821 /nfs/dbraw/zinc/84/08/21/350840821.db2.gz FSPLHHSCQJCHEU-UHFFFAOYSA-N -1 3 255.264 3.075 20 0 CGADHM C[C@H](CCCNCc1c(F)ccc(F)c1Cl)C(=O)[O-] ZINC000630450563 350841629 /nfs/dbraw/zinc/84/16/29/350841629.db2.gz DCGJODNWBPDUTA-MRVPVSSYSA-N -1 3 291.725 3.209 20 0 CGADHM C[C@H](NC[C@H]1CCCC[C@@H]1C)c1nc(C(=O)[O-])cs1 ZINC000630465315 350844883 /nfs/dbraw/zinc/84/48/83/350844883.db2.gz SEPVOPUJSJITOP-GARJFASQSA-N -1 3 282.409 3.318 20 0 CGADHM [O-]c1cccc(CN[C@@H](C2CCC2)[C@H]2CCCO2)c1Cl ZINC000631256981 351008866 /nfs/dbraw/zinc/00/88/66/351008866.db2.gz YMQNSNDCUOKZDR-ZBFHGGJFSA-N -1 3 295.810 3.483 20 0 CGADHM CC[C@@H](C)Cc1noc(-c2cc(OC)c([O-])c(OC)c2)n1 ZINC000632248829 351185809 /nfs/dbraw/zinc/18/58/09/351185809.db2.gz ZRMHFYGQTMSBGF-SECBINFHSA-N -1 3 292.335 3.048 20 0 CGADHM CC(C)(C)c1[nH]cnc1C(=O)Nc1ccc([O-])cc1Cl ZINC000633605295 351331087 /nfs/dbraw/zinc/33/10/87/351331087.db2.gz YTXWLDVVPRJEKT-UHFFFAOYSA-N -1 3 293.754 3.319 20 0 CGADHM CC(=O)c1cc(F)c([N-]C(=O)c2ccc(C)o2)c(F)c1 ZINC000336511442 213388767 /nfs/dbraw/zinc/38/87/67/213388767.db2.gz WIHVSSBOFVVJHB-UHFFFAOYSA-N -1 3 279.242 3.321 20 0 CGADHM O=C([O-])CCCCNCc1ncc(-c2ccccc2)s1 ZINC000635312909 351649739 /nfs/dbraw/zinc/64/97/39/351649739.db2.gz GHHLXZXQYHJKEM-UHFFFAOYSA-N -1 3 290.388 3.155 20 0 CGADHM C[C@H](CN(C)C(=O)Cc1ccc([O-])c(F)c1)C(C)(C)C ZINC000636429273 351755734 /nfs/dbraw/zinc/75/57/34/351755734.db2.gz CEJRWBCEEPBTOH-LLVKDONJSA-N -1 3 281.371 3.214 20 0 CGADHM O=C([O-])CCCN1CCC[C@H]1c1nc2ccccc2s1 ZINC000121914484 187004658 /nfs/dbraw/zinc/00/46/58/187004658.db2.gz MQZRBVBOGNMLNT-LBPRGKRZSA-N -1 3 290.388 3.298 20 0 CGADHM O=C(CCCc1c[nH]c2ccccc12)[N-]OC/C=C/Cl ZINC000291869056 198090408 /nfs/dbraw/zinc/09/04/08/198090408.db2.gz PIEDMIBZNWNTQW-RUDMXATFSA-N -1 3 292.766 3.291 20 0 CGADHM CCC(CC)(CC)NC(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000122773095 187050210 /nfs/dbraw/zinc/05/02/10/187050210.db2.gz HYXSYQOXAIPPJK-UHFFFAOYSA-N -1 3 292.379 3.049 20 0 CGADHM Cc1c(C(=O)Nc2ccccc2[O-])cnn1CCC(C)C ZINC000123264712 187081526 /nfs/dbraw/zinc/08/15/26/187081526.db2.gz RKNGYKRAYVSYLY-UHFFFAOYSA-N -1 3 287.363 3.196 20 0 CGADHM CCc1onc(C)c1[N-]C(=O)c1ncsc1C(C)C ZINC000291917551 198105318 /nfs/dbraw/zinc/10/53/18/198105318.db2.gz YLEIWVSGOBWUKP-UHFFFAOYSA-N -1 3 279.365 3.378 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)Nc1ccc2oc(C)nc2c1 ZINC000291967026 198120331 /nfs/dbraw/zinc/12/03/31/198120331.db2.gz XEOORJNAVCMLIO-VIFPVBQESA-N -1 3 277.324 3.235 20 0 CGADHM C[C@@H]1C(=O)CC[C@H](C(=O)Nc2ccc([O-])cc2F)C1(C)C ZINC000336477595 213347792 /nfs/dbraw/zinc/34/77/92/213347792.db2.gz BEIMXJRSEHBVSY-MWLCHTKSSA-N -1 3 293.338 3.111 20 0 CGADHM Cc1ccc(C(=O)N2C[C@H]3CCCC[C@H]32)c([O-])c1C ZINC000365761357 234126161 /nfs/dbraw/zinc/12/61/61/234126161.db2.gz HRVQMMDVKMLGTK-TZMCWYRMSA-N -1 3 259.349 3.024 20 0 CGADHM CC[C@@H]1CC[C@H](C)N1Cc1nc(=O)c2sccc2[n-]1 ZINC000271639499 191253442 /nfs/dbraw/zinc/25/34/42/191253442.db2.gz ZXFFVIXHKOUORB-VHSXEESVSA-N -1 3 277.393 3.160 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)[C@@H]1C[C@@H]1c1sccc1C ZINC000292231458 198211097 /nfs/dbraw/zinc/21/10/97/198211097.db2.gz PPDAANCJZBOLIE-ZMLRMANQSA-N -1 3 267.394 3.254 20 0 CGADHM CC(C)(C)SCCCC(=O)Nc1ncccc1[O-] ZINC000151166467 187948394 /nfs/dbraw/zinc/94/83/94/187948394.db2.gz IIVMBOVRGWEIHO-UHFFFAOYSA-N -1 3 268.382 3.038 20 0 CGADHM O=C(CCCc1ccc(F)c(F)c1)[N-]OC1CCCC1 ZINC000271659798 191263945 /nfs/dbraw/zinc/26/39/45/191263945.db2.gz GOPXKFNXSPYOPG-UHFFFAOYSA-N -1 3 283.318 3.278 20 0 CGADHM CC(C)[C@@H]1N(C(=O)c2ccccc2[O-])CC12CCC2 ZINC000292271810 198225980 /nfs/dbraw/zinc/22/59/80/198225980.db2.gz GYCFIRMEYCQTDD-AWEZNQCLSA-N -1 3 259.349 3.043 20 0 CGADHM CC(C)[C@@H](CC(=O)[N-]OCc1cccnc1)c1ccccc1 ZINC000152519801 188024871 /nfs/dbraw/zinc/02/48/71/188024871.db2.gz GGALAUPHUBEIQA-QGZVFWFLSA-N -1 3 298.386 3.459 20 0 CGADHM Cc1ccc([C@@H]2CCN(C(=O)c3ccc(O)cc3[O-])C2)cc1 ZINC000368176772 234289858 /nfs/dbraw/zinc/28/98/58/234289858.db2.gz ZHENTOQCIRFFRZ-CQSZACIVSA-N -1 3 297.354 3.036 20 0 CGADHM [O-]c1cc(F)cc(CN2CCC[C@@H]2c2cccnc2)c1 ZINC000336448053 213314225 /nfs/dbraw/zinc/31/42/25/213314225.db2.gz SCWHPVUSJRKWFH-MRXNPFEDSA-N -1 3 272.323 3.263 20 0 CGADHM CC(=O)[C@@H](C)CCCCC(=O)[N-]OCc1ccccc1 ZINC000154272170 188132511 /nfs/dbraw/zinc/13/25/11/188132511.db2.gz ISFUWBSESZRUHM-ZDUSSCGKSA-N -1 3 277.364 3.020 20 0 CGADHM Cc1ccc(-c2nnc(NC(=O)c3cccn3C(C)C)[n-]2)o1 ZINC000156006975 188239221 /nfs/dbraw/zinc/23/92/21/188239221.db2.gz PZJFPYOMQSEHMN-UHFFFAOYSA-N -1 3 299.334 3.008 20 0 CGADHM Cc1ccc(-c2n[n-]c(NC(=O)c3cccn3C(C)C)n2)o1 ZINC000156006975 188239222 /nfs/dbraw/zinc/23/92/22/188239222.db2.gz PZJFPYOMQSEHMN-UHFFFAOYSA-N -1 3 299.334 3.008 20 0 CGADHM Cc1ccc(-c2nc(NC(=O)c3cccn3C(C)C)n[n-]2)o1 ZINC000156006975 188239223 /nfs/dbraw/zinc/23/92/23/188239223.db2.gz PZJFPYOMQSEHMN-UHFFFAOYSA-N -1 3 299.334 3.008 20 0 CGADHM C[C@]1(c2ccc(F)cc2)CCN(C(=O)c2ccccc2[O-])C1 ZINC000369536586 234382620 /nfs/dbraw/zinc/38/26/20/234382620.db2.gz IXFIHJPGHQKPLE-SFHVURJKSA-N -1 3 299.345 3.335 20 0 CGADHM CCC[C@@H](OC)c1noc(-c2cccc(C)c2[O-])n1 ZINC000157385574 188314077 /nfs/dbraw/zinc/31/40/77/188314077.db2.gz KNSWLTPBQIJASP-LLVKDONJSA-N -1 3 262.309 3.238 20 0 CGADHM COc1ccc(Cl)cc1NC([O-])=NOCC(C)C ZINC000158112198 188357939 /nfs/dbraw/zinc/35/79/39/188357939.db2.gz COEILSJJRBLJIG-UHFFFAOYSA-N -1 3 272.732 3.058 20 0 CGADHM COc1ccc(Cl)cc1NC(=O)[N-]OCC(C)C ZINC000158112198 188357941 /nfs/dbraw/zinc/35/79/41/188357941.db2.gz COEILSJJRBLJIG-UHFFFAOYSA-N -1 3 272.732 3.058 20 0 CGADHM CC(C)Oc1ccccc1NC([O-])=NOC1CCCC1 ZINC000271852575 191369177 /nfs/dbraw/zinc/36/91/77/191369177.db2.gz XACQXNBGJPXGFR-UHFFFAOYSA-N -1 3 278.352 3.470 20 0 CGADHM CC(C)Oc1ccccc1NC(=O)[N-]OC1CCCC1 ZINC000271852575 191369180 /nfs/dbraw/zinc/36/91/80/191369180.db2.gz XACQXNBGJPXGFR-UHFFFAOYSA-N -1 3 278.352 3.470 20 0 CGADHM [O-]C(=NOC1CCCC1)Nc1cccc(Cl)c1F ZINC000271860057 191373050 /nfs/dbraw/zinc/37/30/50/191373050.db2.gz YRFAIGWHJTUWQV-UHFFFAOYSA-N -1 3 272.707 3.475 20 0 CGADHM O=C([N-]OC1CCCC1)Nc1cccc(Cl)c1F ZINC000271860057 191373053 /nfs/dbraw/zinc/37/30/53/191373053.db2.gz YRFAIGWHJTUWQV-UHFFFAOYSA-N -1 3 272.707 3.475 20 0 CGADHM O=C([N-]c1nncs1)c1cc(Cl)c(F)cc1Cl ZINC000336342894 213190520 /nfs/dbraw/zinc/19/05/20/213190520.db2.gz FEHVCSQAQJWSKZ-UHFFFAOYSA-N -1 3 292.122 3.236 20 0 CGADHM [O-]c1ccc(F)c(CNC[C@H]2CC23CCSCC3)c1F ZINC000421385530 235812664 /nfs/dbraw/zinc/81/26/64/235812664.db2.gz QALGYFDDBVXRHV-SNVBAGLBSA-N -1 3 299.386 3.293 20 0 CGADHM Cc1ccc(C)c(C(=O)CCC(=O)Nc2ccncc2[O-])c1 ZINC000109889172 138362476 /nfs/dbraw/zinc/36/24/76/138362476.db2.gz ZHAAKPRSBPGOGF-UHFFFAOYSA-N -1 3 298.342 3.006 20 0 CGADHM O=C(Nc1ccc([O-])cc1F)[C@@H]1CC12CCCCC2 ZINC000334419299 295939629 /nfs/dbraw/zinc/93/96/29/295939629.db2.gz ZEIIOSMIYHJMGH-NSHDSACASA-N -1 3 263.312 3.440 20 0 CGADHM O=C(c1c([O-])cccc1O)N1CCC[C@H](c2ccccc2)C1 ZINC000336290965 213130129 /nfs/dbraw/zinc/13/01/29/213130129.db2.gz JKSOBPJKBHXUFW-AWEZNQCLSA-N -1 3 297.354 3.118 20 0 CGADHM Cc1cccc(F)c1S(=O)(=O)[N-][C@@H](C)c1cccs1 ZINC000186088284 138439637 /nfs/dbraw/zinc/43/96/37/138439637.db2.gz QFQUJYVKMTUXSH-JTQLQIEISA-N -1 3 299.392 3.235 20 0 CGADHM O=C([O-])[C@@H](NCc1ccsc1)c1cccc(Cl)c1 ZINC000426734933 236309196 /nfs/dbraw/zinc/30/91/96/236309196.db2.gz CAMALPQYQKBBFA-LBPRGKRZSA-N -1 3 281.764 3.317 20 0 CGADHM Cc1cccc(CN[C@H](C(=O)[O-])c2ccc(F)cc2)c1C ZINC000426805854 236316006 /nfs/dbraw/zinc/31/60/06/236316006.db2.gz GJJQIVPIIDYHFE-INIZCTEOSA-N -1 3 287.334 3.358 20 0 CGADHM O=C([O-])[C@H](NCc1ccc(F)c(Cl)c1)c1cccs1 ZINC000426824866 236316977 /nfs/dbraw/zinc/31/69/77/236316977.db2.gz JSRXTBHDFLUCMQ-GFCCVEGCSA-N -1 3 299.754 3.456 20 0 CGADHM C[C@H]1CN(C(=O)Cc2ccc([O-])c(F)c2)[C@@H]1c1ccccc1 ZINC000336209251 213031624 /nfs/dbraw/zinc/03/16/24/213031624.db2.gz BRNQGMWKZUQLCZ-SGTLLEGYSA-N -1 3 299.345 3.293 20 0 CGADHM C[C@]1(c2nc(-c3ccc([O-])c4ccccc34)no2)CCOC1 ZINC000436611610 237143753 /nfs/dbraw/zinc/14/37/53/237143753.db2.gz LHHAEGRYJANSDN-KRWDZBQOSA-N -1 3 296.326 3.273 20 0 CGADHM Cc1ccc(C(=O)N[C@@H](C)Cc2ccc(O)cc2)c([O-])c1C ZINC000436612078 237144566 /nfs/dbraw/zinc/14/45/66/237144566.db2.gz ZLSFYNAXDAIQAJ-LBPRGKRZSA-N -1 3 299.370 3.076 20 0 CGADHM C[C@@H]1[C@@H](C)CN1C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436633942 237147606 /nfs/dbraw/zinc/14/76/06/237147606.db2.gz JDGZHVMFOKKGKT-UONOGXRCSA-N -1 3 295.382 3.463 20 0 CGADHM Cc1cc(C(=O)Nc2cnn([C@H](C)C3CC3)c2)ccc1[O-] ZINC000436823134 237185746 /nfs/dbraw/zinc/18/57/46/237185746.db2.gz ZLFCZJCGWXMZIZ-LLVKDONJSA-N -1 3 285.347 3.120 20 0 CGADHM Cc1ccncc1/C=C/c1nc(-c2ccc([O-])cc2)no1 ZINC000436826813 237188351 /nfs/dbraw/zinc/18/83/51/237188351.db2.gz QWXHIHJDNBCOPX-QPJJXVBHSA-N -1 3 279.299 3.316 20 0 CGADHM Cc1ccc(C(=O)NCC[C@@H]2C[C@@H](C)O[C@@H](C)C2)c([O-])c1 ZINC000436703769 237161768 /nfs/dbraw/zinc/16/17/68/237161768.db2.gz MVPIZBAHXLCZAJ-BTTYYORXSA-N -1 3 291.391 3.024 20 0 CGADHM Cc1cc(C(=O)NCC[C@@H]2C[C@@H](C)O[C@@H](C)C2)ccc1[O-] ZINC000436710397 237163166 /nfs/dbraw/zinc/16/31/66/237163166.db2.gz SXIDDQHCMMDFHE-BTTYYORXSA-N -1 3 291.391 3.024 20 0 CGADHM O=C(NCC1(C(F)F)CC1)c1ccc2c(c1[O-])CCCC2 ZINC000436988064 237226766 /nfs/dbraw/zinc/22/67/66/237226766.db2.gz KQWQPQKKAYOGPO-UHFFFAOYSA-N -1 3 295.329 3.046 20 0 CGADHM C[C@H]1CCC[C@H]1Cc1nc(-c2ccc([O-])cc2)no1 ZINC000436868923 237198585 /nfs/dbraw/zinc/19/85/85/237198585.db2.gz JLEQBJFDKULVMR-JQWIXIFHSA-N -1 3 258.321 3.421 20 0 CGADHM O=C(N[C@@H]1C[C@@H]1C1CCCCC1)c1ccccc1[O-] ZINC000436930378 237213532 /nfs/dbraw/zinc/21/35/32/237213532.db2.gz HDFVITYALFOZNS-ZIAGYGMSSA-N -1 3 259.349 3.091 20 0 CGADHM Cc1cc(C(=O)NCCCOc2ccccc2C)ccc1[O-] ZINC000436929288 237214088 /nfs/dbraw/zinc/21/40/88/237214088.db2.gz TXNMUXCNYSYTJS-UHFFFAOYSA-N -1 3 299.370 3.208 20 0 CGADHM CC(C)ON=C([O-])Nc1cccc(CC(F)(F)F)c1 ZINC000297114428 200088792 /nfs/dbraw/zinc/08/87/92/200088792.db2.gz YUXFXZBDGYUSGF-UHFFFAOYSA-N -1 3 276.258 3.253 20 0 CGADHM CC(C)O[N-]C(=O)Nc1cccc(CC(F)(F)F)c1 ZINC000297114428 200088793 /nfs/dbraw/zinc/08/87/93/200088793.db2.gz YUXFXZBDGYUSGF-UHFFFAOYSA-N -1 3 276.258 3.253 20 0 CGADHM CCOc1cc(CN(C(C)C)C2COC2)cc(Cl)c1[O-] ZINC000297488045 200207632 /nfs/dbraw/zinc/20/76/32/200207632.db2.gz SYLKUBUMPAQOGI-UHFFFAOYSA-N -1 3 299.798 3.054 20 0 CGADHM CC(C)ON=C([O-])Nc1cc(Cl)c(N)c(Cl)c1 ZINC000297675171 200258807 /nfs/dbraw/zinc/25/88/07/200258807.db2.gz FWXJMFNYHPSNMS-UHFFFAOYSA-N -1 3 278.139 3.037 20 0 CGADHM CC(C)O[N-]C(=O)Nc1cc(Cl)c(N)c(Cl)c1 ZINC000297675171 200258809 /nfs/dbraw/zinc/25/88/09/200258809.db2.gz FWXJMFNYHPSNMS-UHFFFAOYSA-N -1 3 278.139 3.037 20 0 CGADHM C[C@@H]1CN(C(=O)c2cc([O-])ccc2Cl)C(C)(C)C1 ZINC000341780402 216102288 /nfs/dbraw/zinc/10/22/88/216102288.db2.gz ISLNMINXIRDTIT-VIFPVBQESA-N -1 3 267.756 3.306 20 0 CGADHM CC(=O)c1ccsc1[N-]C(=O)c1cc(C(C)(C)C)on1 ZINC000297838006 200290363 /nfs/dbraw/zinc/29/03/63/200290363.db2.gz MEBROUMMPIZORE-UHFFFAOYSA-N -1 3 292.360 3.489 20 0 CGADHM Cc1n[nH]c2cc(NC(=O)c3cc(C)ccc3[O-])ccc12 ZINC000439062587 238225370 /nfs/dbraw/zinc/22/53/70/238225370.db2.gz YKMIMLSLLVIJKM-UHFFFAOYSA-N -1 3 281.315 3.138 20 0 CGADHM Cc1[nH]nc2cc(NC(=O)c3cc(C)ccc3[O-])ccc12 ZINC000439062587 238225375 /nfs/dbraw/zinc/22/53/75/238225375.db2.gz YKMIMLSLLVIJKM-UHFFFAOYSA-N -1 3 281.315 3.138 20 0 CGADHM CCc1cc(C(=O)N2CCC[C@H](C)CC2)ccc1[O-] ZINC000342210645 216261877 /nfs/dbraw/zinc/26/18/77/216261877.db2.gz FFIYSWZQOMTKSE-LBPRGKRZSA-N -1 3 261.365 3.217 20 0 CGADHM CCS[C@@H]1CCC[C@@H](NC(=O)c2cccc([O-])c2)C1 ZINC000182559433 189327981 /nfs/dbraw/zinc/32/79/81/189327981.db2.gz MAOMBWQBGKJBMU-TZMCWYRMSA-N -1 3 279.405 3.186 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)Nc1nc(C2CC2)cs1 ZINC000448773439 239046670 /nfs/dbraw/zinc/04/66/70/239046670.db2.gz XPRRQOQTNIUPPH-UHFFFAOYSA-N -1 3 292.335 3.046 20 0 CGADHM C[C@H]1Cc2ccccc2N(C(=O)Cc2ccc([O-])c(F)c2)C1 ZINC000448910243 239085013 /nfs/dbraw/zinc/08/50/13/239085013.db2.gz KVYTYLLUEBEKAD-LBPRGKRZSA-N -1 3 299.345 3.299 20 0 CGADHM Cc1oc(C2CC2)nc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000335666144 212385159 /nfs/dbraw/zinc/38/51/59/212385159.db2.gz ZNMPKUJXGURGBQ-UHFFFAOYSA-N -1 3 292.722 3.472 20 0 CGADHM CCn1c(=O)[n-]nc1SCC/C=C\c1ccccc1 ZINC000450710438 240043069 /nfs/dbraw/zinc/04/30/69/240043069.db2.gz UDCKOZFZARSJHA-POHAHGRESA-N -1 3 275.377 3.199 20 0 CGADHM Cc1csc(S(=O)(=O)[N-]C(C)(C)c2ccccc2)c1 ZINC000451109525 240220205 /nfs/dbraw/zinc/22/02/05/240220205.db2.gz ASYGTUPDQHJBRJ-UHFFFAOYSA-N -1 3 295.429 3.270 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2C[C@H](C(C)C)[C@H]2C(C)C)c1 ZINC000456300514 241397438 /nfs/dbraw/zinc/39/74/38/241397438.db2.gz UDZVRZZQRQJMMZ-GDBMZVCRSA-N -1 3 275.392 3.453 20 0 CGADHM CC(=O)c1cccc(NC(=O)[C@H]2CCC[C@H](F)C2)c1[O-] ZINC000335544139 212244553 /nfs/dbraw/zinc/24/45/53/212244553.db2.gz RNPROFYDVDFYKA-QWRGUYRKSA-N -1 3 279.311 3.062 20 0 CGADHM [O-]c1cccc(CN2CCC[C@@H]2CF)c1Br ZINC000459581388 242136521 /nfs/dbraw/zinc/13/65/21/242136521.db2.gz CESXOIGTATYAOQ-SNVBAGLBSA-N -1 3 288.160 3.089 20 0 CGADHM CC(C)C[C@@H](C)C(=O)Nc1n[n-]c(-c2ccccc2F)n1 ZINC000463114360 242385501 /nfs/dbraw/zinc/38/55/01/242385501.db2.gz RYGZPSKDKAIHFB-SNVBAGLBSA-N -1 3 290.342 3.232 20 0 CGADHM CCCc1cc(C(=O)N2CCCc3cccc([O-])c32)ccn1 ZINC000486905000 243377363 /nfs/dbraw/zinc/37/73/63/243377363.db2.gz LVBAAGJGEKWCLY-UHFFFAOYSA-N -1 3 296.370 3.333 20 0 CGADHM Cc1cc([N-]C(=O)[C@@H](C)Nc2cc(C)cc(C)c2)on1 ZINC000011155090 368588991 /nfs/dbraw/zinc/58/89/91/368588991.db2.gz SVVULNZLKMURCG-GFCCVEGCSA-N -1 3 273.336 3.039 20 0 CGADHM CN(Cc1ccc(Cl)cc1)C(=O)c1ccc(O)cc1[O-] ZINC000034775616 368978256 /nfs/dbraw/zinc/97/82/56/368978256.db2.gz KPSVPMWETSCHBJ-UHFFFAOYSA-N -1 3 291.734 3.023 20 0 CGADHM O=C(/C=C\c1ccc2c(c1)CCO2)Nc1ccc([O-])cc1F ZINC000492487406 243961173 /nfs/dbraw/zinc/96/11/73/243961173.db2.gz IAFGPUCORZEPKU-KXFIGUGUSA-N -1 3 299.301 3.118 20 0 CGADHM O=C([N-]c1nc(-c2ccccc2)ns1)c1ccoc1 ZINC000042090559 369200586 /nfs/dbraw/zinc/20/05/86/369200586.db2.gz MXFSAEGDAFBANY-UHFFFAOYSA-N -1 3 271.301 3.050 20 0 CGADHM C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)[N-]OC2CCC2)o1 ZINC000493422218 244161289 /nfs/dbraw/zinc/16/12/89/244161289.db2.gz BYAWSBQSIMSQEG-XKGOSNOPSA-N -1 3 261.321 3.017 20 0 CGADHM Cn1ccc(/C=C/C(=O)Nc2ccc(Cl)cc2[O-])c1 ZINC000493722015 244219409 /nfs/dbraw/zinc/21/94/09/244219409.db2.gz LKMJIGKVPQUMOO-GORDUTHDSA-N -1 3 276.723 3.036 20 0 CGADHM O=C(/C=C\c1cc2ccccc2o1)[N-]OC/C=C\Cl ZINC000493847101 244243717 /nfs/dbraw/zinc/24/37/17/244243717.db2.gz CKIGCHHAMJYBMC-XGECGVFOSA-N -1 3 277.707 3.246 20 0 CGADHM Cc1cccc(NC(=O)c2cc(-c3ccco3)[n-]n2)c1 ZINC000048433248 369349730 /nfs/dbraw/zinc/34/97/30/369349730.db2.gz ZGPSLJHOISMOIT-UHFFFAOYSA-N -1 3 267.288 3.230 20 0 CGADHM Cc1cccc(NC(=O)c2cc(-c3ccco3)n[n-]2)c1 ZINC000048433248 369349733 /nfs/dbraw/zinc/34/97/33/369349733.db2.gz ZGPSLJHOISMOIT-UHFFFAOYSA-N -1 3 267.288 3.230 20 0 CGADHM CO[C@H]1CN(C(=O)c2ccc(C(C)C)cc2[O-])CC[C@H]1C ZINC000276117732 193218042 /nfs/dbraw/zinc/21/80/42/193218042.db2.gz YBRYMKNUJTUGAX-WBMJQRKESA-N -1 3 291.391 3.013 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])[C@@H]1CC1(Cl)Cl ZINC000129436893 370986897 /nfs/dbraw/zinc/98/68/97/370986897.db2.gz SHNOVCLEMHHPGU-LURJTMIESA-N -1 3 280.538 3.178 20 0 CGADHM CCCC[C@H](NCc1ccccc1Cl)C(=O)[O-] ZINC000075423869 369907401 /nfs/dbraw/zinc/90/74/01/369907401.db2.gz IQXAJZFCDVESKT-LBPRGKRZSA-N -1 3 255.745 3.073 20 0 CGADHM Cc1cccc(CN(C)Cc2ccsc2C(=O)[O-])c1 ZINC000104327608 370343909 /nfs/dbraw/zinc/34/39/09/370343909.db2.gz LIHGKVIQSQNNON-UHFFFAOYSA-N -1 3 275.373 3.387 20 0 CGADHM Cc1ccc([O-])c(CN[C@H]2CCSc3ccccc32)n1 ZINC000112716361 370445476 /nfs/dbraw/zinc/44/54/76/370445476.db2.gz NIQGNOATWJWYEB-ZDUSSCGKSA-N -1 3 286.400 3.422 20 0 CGADHM CCN(CCCC(=O)[O-])Cc1ccc(Cl)s1 ZINC000116341148 370556450 /nfs/dbraw/zinc/55/64/50/370556450.db2.gz UHDVFLYVXYRTQU-UHFFFAOYSA-N -1 3 261.774 3.088 20 0 CGADHM CCN(C(=O)c1cc(C)ccc1[O-])[C@@H](C)c1cccnc1 ZINC000115228908 370526694 /nfs/dbraw/zinc/52/66/94/370526694.db2.gz JEWTXHQOCKZEGD-ZDUSSCGKSA-N -1 3 284.359 3.319 20 0 CGADHM CCCN(C)C(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000130660185 371050737 /nfs/dbraw/zinc/05/07/37/371050737.db2.gz HGFHZXIDZRMUGF-UHFFFAOYSA-N -1 3 299.370 3.453 20 0 CGADHM Cc1ccc(-c2nc([C@@H]3CCO[C@H](C)C3)no2)c([O-])c1C ZINC000331636898 204031985 /nfs/dbraw/zinc/03/19/85/204031985.db2.gz IVIXVXXQKSKGJT-ZYHUDNBSSA-N -1 3 288.347 3.342 20 0 CGADHM COc1ccc(C(C)C)cc1CN1CCC[C@H](C(=O)[O-])C1 ZINC000003749644 541848812 /nfs/dbraw/zinc/84/88/12/541848812.db2.gz XEZKDXIXWUSXQP-AWEZNQCLSA-N -1 3 291.391 3.115 20 0 CGADHM O=c1[n-]c(Sc2ccccc2F)nc2ccccc21 ZINC000133825336 371281606 /nfs/dbraw/zinc/28/16/06/371281606.db2.gz FISYAUNUONHIMR-UHFFFAOYSA-N -1 3 272.304 3.213 20 0 CGADHM C[C@@H](NC(=O)Cc1ccc([O-])cc1Cl)c1ccccc1 ZINC000133664805 371270224 /nfs/dbraw/zinc/27/02/24/371270224.db2.gz XIOGPGBVWCJVER-LLVKDONJSA-N -1 3 289.762 3.466 20 0 CGADHM CCc1c(C(=O)Nc2cccc([O-])c2)[nH]c(C)c1C(C)=O ZINC000133749713 371277765 /nfs/dbraw/zinc/27/77/65/371277765.db2.gz DOZOPHRBQOGLTR-UHFFFAOYSA-N -1 3 286.331 3.046 20 0 CGADHM CSC[C@H](C)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000134084192 371301619 /nfs/dbraw/zinc/30/16/19/371301619.db2.gz CJOFGTMIISRMDU-ZETCQYMHSA-N -1 3 293.310 3.349 20 0 CGADHM C[C@@H]1CCC[C@@H](CC(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000134080264 371301919 /nfs/dbraw/zinc/30/19/19/371301919.db2.gz CAAVZNFOWAFMCO-VXGBXAGGSA-N -1 3 299.378 3.022 20 0 CGADHM C[C@@H]1CCC[C@@H](CC(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000134080264 371301928 /nfs/dbraw/zinc/30/19/28/371301928.db2.gz CAAVZNFOWAFMCO-VXGBXAGGSA-N -1 3 299.378 3.022 20 0 CGADHM O=[S@](Cc1csc(C2CC2)n1)c1ccc([O-])cc1 ZINC000134267823 371317772 /nfs/dbraw/zinc/31/77/72/371317772.db2.gz IMVXLWRNMOPAHK-SFHVURJKSA-N -1 3 279.386 3.034 20 0 CGADHM C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)[N-]OCC(F)(F)F)o1 ZINC000135212858 371401809 /nfs/dbraw/zinc/40/18/09/371401809.db2.gz GSLHXFOGYWKQIV-VYODUFISSA-N -1 3 289.253 3.026 20 0 CGADHM Cc1noc(C2CC2)c1NC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000135588103 371436995 /nfs/dbraw/zinc/43/69/95/371436995.db2.gz RAMYJXNLPDTKTM-UHFFFAOYSA-N -1 3 298.302 3.096 20 0 CGADHM CCCN(CCC)C(=O)Cc1ccc([O-])cc1Cl ZINC000136119599 371461573 /nfs/dbraw/zinc/46/15/73/371461573.db2.gz YKVSOEYJHHUJMZ-UHFFFAOYSA-N -1 3 269.772 3.237 20 0 CGADHM CCc1ncsc1C(=O)[N-]c1nnc(CC(C)C)s1 ZINC000136552153 371479018 /nfs/dbraw/zinc/47/90/18/371479018.db2.gz JAPZDQYUBJQVGM-UHFFFAOYSA-N -1 3 296.421 3.008 20 0 CGADHM CC1=C[C@H](C)CN(Cc2c(F)ccc([O-])c2F)C1 ZINC000353330741 220028685 /nfs/dbraw/zinc/02/86/85/220028685.db2.gz OYYLLWXSIGGFNY-VIFPVBQESA-N -1 3 253.292 3.068 20 0 CGADHM C[C@@H]1C[C@@H](C(=O)[O-])CN(CCc2ccc(F)cc2Cl)C1 ZINC000422639341 371755227 /nfs/dbraw/zinc/75/52/27/371755227.db2.gz WNEZVNDZSSMZPA-ZYHUDNBSSA-N -1 3 299.773 3.064 20 0 CGADHM CC(C)CCO[C@@H](C)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000153520731 371774676 /nfs/dbraw/zinc/77/46/76/371774676.db2.gz SWESYGBYVPGNNW-JTQLQIEISA-N -1 3 285.771 3.435 20 0 CGADHM Cc1ccc(SCCC(=O)Nc2ncccc2[O-])cc1 ZINC000344191915 217093613 /nfs/dbraw/zinc/09/36/13/217093613.db2.gz WTRWCRJYGNQDLJ-UHFFFAOYSA-N -1 3 288.372 3.217 20 0 CGADHM CC(C)[C@@H](C(=O)Nc1ccccc1[O-])c1ccncc1 ZINC000344203623 217097384 /nfs/dbraw/zinc/09/73/84/217097384.db2.gz YAUSKIOQTIGRMX-OAHLLOKOSA-N -1 3 270.332 3.166 20 0 CGADHM COc1ccc([O-])c(-c2nc(CC3CCCC3)no2)c1 ZINC000293308493 372352751 /nfs/dbraw/zinc/35/27/51/372352751.db2.gz YGPJKYXZKGZRRO-UHFFFAOYSA-N -1 3 274.320 3.184 20 0 CGADHM COc1cc(F)c([N-]C(=O)c2ncoc2C2CC2)cc1F ZINC000293437679 372383066 /nfs/dbraw/zinc/38/30/66/372383066.db2.gz QYGQMLIAKWXCKN-UHFFFAOYSA-N -1 3 294.257 3.091 20 0 CGADHM O=C(c1cc([O-])ccc1Cl)N1CCSC[C@H]1C1CC1 ZINC000456161977 296184280 /nfs/dbraw/zinc/18/42/80/296184280.db2.gz AKSKENCTXJUHLN-ZDUSSCGKSA-N -1 3 297.807 3.013 20 0 CGADHM C[C@@H](CC(=O)[N-]OCCC(F)(F)F)c1ccccc1F ZINC000162802218 372422452 /nfs/dbraw/zinc/42/24/52/372422452.db2.gz JSGWOLXTOWKBKY-VIFPVBQESA-N -1 3 293.260 3.320 20 0 CGADHM CCc1ccc(CCC(=O)[N-]OCCC(F)(F)F)cc1 ZINC000162884920 372430804 /nfs/dbraw/zinc/43/08/04/372430804.db2.gz JSQSNEYHDDSILY-UHFFFAOYSA-N -1 3 289.297 3.182 20 0 CGADHM CCc1cc(=O)[n-]c(CN2CCC[C@@H]2c2ccc(C)cc2)n1 ZINC000344412445 217186049 /nfs/dbraw/zinc/18/60/49/217186049.db2.gz SCSKAUVKKHTWQC-MRXNPFEDSA-N -1 3 297.402 3.390 20 0 CGADHM C[C@@H](CSc1ccc(F)cc1)C(=O)[N-]OCC1CC1 ZINC000293849697 372501423 /nfs/dbraw/zinc/50/14/23/372501423.db2.gz UYKPWRQBANZTPW-JTQLQIEISA-N -1 3 283.368 3.012 20 0 CGADHM CC(C)(C)OC1CC(CCNC(=O)c2cccc([O-])c2)C1 ZINC000432278274 372555164 /nfs/dbraw/zinc/55/51/64/372555164.db2.gz ZEEOXIPQQUCRQL-UHFFFAOYSA-N -1 3 291.391 3.106 20 0 CGADHM CC[C@H](C)N(CC(=O)[O-])Cc1cccc(Cl)c1F ZINC000167037240 372586316 /nfs/dbraw/zinc/58/63/16/372586316.db2.gz XRMBKYBESYTNTM-VIFPVBQESA-N -1 3 273.735 3.164 20 0 CGADHM Cc1cc(SC(C)(C)C)ccc1NC(=O)c1cnn[n-]1 ZINC000170637032 372645143 /nfs/dbraw/zinc/64/51/43/372645143.db2.gz RAIKASLQLTYHSS-UHFFFAOYSA-N -1 3 290.392 3.256 20 0 CGADHM Cc1cc(SC(C)(C)C)ccc1NC(=O)c1c[n-]nn1 ZINC000170637032 372645148 /nfs/dbraw/zinc/64/51/48/372645148.db2.gz RAIKASLQLTYHSS-UHFFFAOYSA-N -1 3 290.392 3.256 20 0 CGADHM Cc1cc(SC(C)(C)C)ccc1NC(=O)c1cn[n-]n1 ZINC000170637032 372645153 /nfs/dbraw/zinc/64/51/53/372645153.db2.gz RAIKASLQLTYHSS-UHFFFAOYSA-N -1 3 290.392 3.256 20 0 CGADHM [O-]c1ccc(F)c(CN2CCC(C(F)(F)F)CC2)c1F ZINC000294866449 372676193 /nfs/dbraw/zinc/67/61/93/372676193.db2.gz JTIIAUUEUXRHAZ-UHFFFAOYSA-N -1 3 295.251 3.445 20 0 CGADHM [O-]c1ccc(CNCc2ccc(Cl)o2)cc1F ZINC000344552888 217228924 /nfs/dbraw/zinc/22/89/24/217228924.db2.gz UCTUYZHRRXYLNZ-UHFFFAOYSA-N -1 3 255.676 3.068 20 0 CGADHM CCCC1(C(=O)N=c2cc(-c3ccccc3)[n-][nH]2)CC1 ZINC000435675818 372793669 /nfs/dbraw/zinc/79/36/69/372793669.db2.gz OHMBLTIUGIBKKS-UHFFFAOYSA-N -1 3 269.348 3.017 20 0 CGADHM C[C@@H]1[C@H](C(=O)Nc2ccccc2[O-])[C@H]1c1ccccc1 ZINC000435580652 372778433 /nfs/dbraw/zinc/77/84/33/372778433.db2.gz UWIAQUFQYIDSPO-XZJROXQQSA-N -1 3 267.328 3.380 20 0 CGADHM Cc1ccc2c(c1)[C@@H](NC(=O)c1c([O-])cccc1O)CCC2 ZINC000436748254 372841135 /nfs/dbraw/zinc/84/11/35/372841135.db2.gz OIWVUZZTGJEXKJ-AWEZNQCLSA-N -1 3 297.354 3.214 20 0 CGADHM O=C(c1ccc2c(c1[O-])CCCC2)N1Cc2ccccc2C1 ZINC000436960634 372843466 /nfs/dbraw/zinc/84/34/66/372843466.db2.gz KVBIGKWZUAHCAX-UHFFFAOYSA-N -1 3 293.366 3.427 20 0 CGADHM CC(C)O[N-]C(=O)[C@H]1C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000295790630 372912670 /nfs/dbraw/zinc/91/26/70/372912670.db2.gz YZGGJQRZUMPITJ-RYUDHWBXSA-N -1 3 287.281 3.265 20 0 CGADHM CC(F)(F)CCCNC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000295833280 372927095 /nfs/dbraw/zinc/92/70/95/372927095.db2.gz VAVYVPSFQOGFPC-UHFFFAOYSA-N -1 3 294.301 3.106 20 0 CGADHM CC1CC([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000353512225 220127182 /nfs/dbraw/zinc/12/71/82/220127182.db2.gz DXEIUTWMPNRFAP-UHFFFAOYSA-N -1 3 294.203 3.070 20 0 CGADHM Cc1ccc(C(=O)N2CCCN(C)c3ccccc32)c([O-])c1 ZINC000172428337 372963255 /nfs/dbraw/zinc/96/32/55/372963255.db2.gz LDIFAHDDZWOPPX-UHFFFAOYSA-N -1 3 296.370 3.187 20 0 CGADHM C[C@H]1CC[C@@H](N(CCO)Cc2cccc([O-])c2Cl)C1 ZINC000353558105 220155033 /nfs/dbraw/zinc/15/50/33/220155033.db2.gz WHHXTNLFDAUHJQ-WCQYABFASA-N -1 3 283.799 3.029 20 0 CGADHM Cc1csc([C@@H](NC(=O)c2ccccc2[O-])C2CC2)n1 ZINC000173391368 373134936 /nfs/dbraw/zinc/13/49/36/373134936.db2.gz VEDBXLKPJMHTIV-ZDUSSCGKSA-N -1 3 288.372 3.038 20 0 CGADHM CCC(CC)(CC)CNC(=O)c1ccc([O-])c(OC)c1 ZINC000443056730 373146921 /nfs/dbraw/zinc/14/69/21/373146921.db2.gz ZOSHMBMHJAONFR-UHFFFAOYSA-N -1 3 279.380 3.347 20 0 CGADHM CN(Cc1ccoc1)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000344878246 217342270 /nfs/dbraw/zinc/34/22/70/217342270.db2.gz PYFSGSAKCQAPRH-UHFFFAOYSA-N -1 3 291.322 3.106 20 0 CGADHM COc1cccc(C(=O)N2C[C@H](C)[C@H]2c2ccccc2)c1[O-] ZINC000175164636 373422594 /nfs/dbraw/zinc/42/25/94/373422594.db2.gz JSJJJYNAVVESJQ-LRDDRELGSA-N -1 3 297.354 3.234 20 0 CGADHM Cc1ccc([O-])c(CN(C)Cc2cc(F)cc(F)c2)n1 ZINC000446974479 373387180 /nfs/dbraw/zinc/38/71/80/373387180.db2.gz ITQUCIZZJXWRRA-UHFFFAOYSA-N -1 3 278.302 3.006 20 0 CGADHM Cc1ncsc1CCC(=O)Nc1c(C)cccc1[O-] ZINC000298712508 373388984 /nfs/dbraw/zinc/38/89/84/373388984.db2.gz WDDYLXVTBVJQOX-UHFFFAOYSA-N -1 3 276.361 3.037 20 0 CGADHM COc1ccc([O-])c(C(=O)N(CC2CC2)c2ccccc2)c1 ZINC000175386167 373461401 /nfs/dbraw/zinc/46/14/01/373461401.db2.gz GNVBMJGQZGQPBU-UHFFFAOYSA-N -1 3 297.354 3.458 20 0 CGADHM CCCC[C@H](CC)C(=O)Nc1nc(C)ccc1[O-] ZINC000447637997 373468427 /nfs/dbraw/zinc/46/84/27/373468427.db2.gz UVYSMHALVPUKCY-NSHDSACASA-N -1 3 250.342 3.251 20 0 CGADHM CCC1(CC)CN([C@@H](C)c2nc(C)cc(=O)[n-]2)CCS1 ZINC000447876640 373511718 /nfs/dbraw/zinc/51/17/18/373511718.db2.gz FFZTXMGORXMFAM-LBPRGKRZSA-N -1 3 295.452 3.159 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N2CCC(C)(C(C)C)CC2)n1 ZINC000447879967 373513091 /nfs/dbraw/zinc/51/30/91/373513091.db2.gz SQKAPZJGIFHUSL-ZDUSSCGKSA-N -1 3 277.412 3.310 20 0 CGADHM [O-]c1ccc(CNCc2ccnn2-c2ccccc2)cc1F ZINC000447941945 373527934 /nfs/dbraw/zinc/52/79/34/373527934.db2.gz LQKKKTACAKYHRD-UHFFFAOYSA-N -1 3 297.333 3.007 20 0 CGADHM [O-]c1cccc(CNC[C@H]2CCOC3(CCC3)C2)c1Cl ZINC000449482544 373772676 /nfs/dbraw/zinc/77/26/76/373772676.db2.gz YTKWATCSWMKIGM-LBPRGKRZSA-N -1 3 295.810 3.485 20 0 CGADHM CCC1(C(=O)Nc2cc(F)ccc2[O-])CCCC1 ZINC000179651423 373898211 /nfs/dbraw/zinc/89/82/11/373898211.db2.gz IFDNHYVOIXOZAM-UHFFFAOYSA-N -1 3 251.301 3.440 20 0 CGADHM CC(=O)c1[n-]c(=N[C@@H](C)Cc2cccs2)sc1C ZINC000450241153 374016006 /nfs/dbraw/zinc/01/60/06/374016006.db2.gz KCNMAHRLOVYTSG-QMMMGPOBSA-N -1 3 280.418 3.181 20 0 CGADHM Cc1ccc([C@@H](C)CNC(=O)c2ccccc2[O-])cc1 ZINC000303738155 374027863 /nfs/dbraw/zinc/02/78/63/374027863.db2.gz HJDGBIZRKSRQAF-ZDUSSCGKSA-N -1 3 269.344 3.234 20 0 CGADHM CC(C)C[C@H]1CCN(Cc2ccc(C(=O)[O-])cc2F)C1 ZINC000307803634 374152187 /nfs/dbraw/zinc/15/21/87/374152187.db2.gz DHHKTUXVSNPGCK-GFCCVEGCSA-N -1 3 279.355 3.392 20 0 CGADHM O=C(Nc1ccc2ncsc2c1)c1cccc([O-])c1 ZINC000182011112 374202442 /nfs/dbraw/zinc/20/24/42/374202442.db2.gz DAZYSAHJVGSUEL-UHFFFAOYSA-N -1 3 270.313 3.254 20 0 CGADHM CCCOc1ccc(CNC(=O)c2cccc([O-])c2)cc1 ZINC000182111528 374221208 /nfs/dbraw/zinc/22/12/08/374221208.db2.gz QRTNFKOSULWAEL-UHFFFAOYSA-N -1 3 285.343 3.111 20 0 CGADHM CCc1nc2cc(NC(=O)c3cccc([O-])c3)ccc2o1 ZINC000182138311 374224472 /nfs/dbraw/zinc/22/44/72/374224472.db2.gz SEWJRVDQNHTJEK-UHFFFAOYSA-N -1 3 282.299 3.348 20 0 CGADHM O=C([O-])[C@H]1C=C[C@@H](NCc2cc(Cl)ccc2Cl)C1 ZINC000310817957 374225342 /nfs/dbraw/zinc/22/53/42/374225342.db2.gz GXXIDFVLVOTJBI-GZMMTYOYSA-N -1 3 286.158 3.112 20 0 CGADHM O=C(N[C@H]1CCCOc2ccccc21)c1cccc([O-])c1 ZINC000182278386 374250128 /nfs/dbraw/zinc/25/01/28/374250128.db2.gz AUQRDVXZYHKPAJ-HNNXBMFYSA-N -1 3 283.327 3.036 20 0 CGADHM CCc1ccc2occ(C(=O)N=c3[n-]oc(C)c3C)c2c1 ZINC000452164295 374259854 /nfs/dbraw/zinc/25/98/54/374259854.db2.gz OZEYZSYSZAMGEI-UHFFFAOYSA-N -1 3 284.315 3.274 20 0 CGADHM CCCCCN(CCCOC)C(=O)c1cccc(C)c1[O-] ZINC000182355687 374263015 /nfs/dbraw/zinc/26/30/15/374263015.db2.gz KBWBVDYAWUGRFR-UHFFFAOYSA-N -1 3 293.407 3.370 20 0 CGADHM C[C@H]1C[C@H](c2cccnc2)N(C(=O)c2ccccc2[O-])C1 ZINC000182227558 374241597 /nfs/dbraw/zinc/24/15/97/374241597.db2.gz AOFHKDKCRNMDSF-SWLSCSKDSA-N -1 3 282.343 3.011 20 0 CGADHM Cc1cnc([C@H](NC(=O)c2cccc([O-])c2)C2CC2)s1 ZINC000182507966 374283419 /nfs/dbraw/zinc/28/34/19/374283419.db2.gz RCJSTXBJPQIOHK-CYBMUJFWSA-N -1 3 288.372 3.038 20 0 CGADHM Cc1nc(C(=O)Nc2c(C)cccc2[O-])c(C)s1 ZINC000183062185 374365079 /nfs/dbraw/zinc/36/50/79/374365079.db2.gz JRAGIOIOMWQEDE-UHFFFAOYSA-N -1 3 262.334 3.026 20 0 CGADHM CC1(C(=O)Nc2nnc(-c3ccccn3)[n-]2)CCCCCC1 ZINC000183114666 374374477 /nfs/dbraw/zinc/37/44/77/374374477.db2.gz VXDWJXLCFXDYMJ-UHFFFAOYSA-N -1 3 299.378 3.166 20 0 CGADHM CC1(C(=O)Nc2nc(-c3ccccn3)n[n-]2)CCCCCC1 ZINC000183114666 374374485 /nfs/dbraw/zinc/37/44/85/374374485.db2.gz VXDWJXLCFXDYMJ-UHFFFAOYSA-N -1 3 299.378 3.166 20 0 CGADHM CC1(C(=O)Nc2n[n-]c(-c3ccccn3)n2)CCCCCC1 ZINC000183114666 374374488 /nfs/dbraw/zinc/37/44/88/374374488.db2.gz VXDWJXLCFXDYMJ-UHFFFAOYSA-N -1 3 299.378 3.166 20 0 CGADHM CCCCSCCC(=O)Nc1ccc([O-])cc1F ZINC000183260978 374392345 /nfs/dbraw/zinc/39/23/45/374392345.db2.gz XHQGLZMAUNKTRE-UHFFFAOYSA-N -1 3 271.357 3.393 20 0 CGADHM CN(CCC1CC1)C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000183401010 374410264 /nfs/dbraw/zinc/41/02/64/374410264.db2.gz VGQANZVYOGLNAP-UHFFFAOYSA-N -1 3 273.376 3.143 20 0 CGADHM C[C@H](c1ccccc1F)N1CCC[C@H](CC(=O)[O-])C1 ZINC000086757471 541941206 /nfs/dbraw/zinc/94/12/06/541941206.db2.gz CTBFJYQEINLMLV-VXGBXAGGSA-N -1 3 265.328 3.073 20 0 CGADHM Cn1cccc1C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000330405253 374459403 /nfs/dbraw/zinc/45/94/03/374459403.db2.gz NBVKJFRCHOYVAB-UHFFFAOYSA-N -1 3 272.348 3.281 20 0 CGADHM O=[S@](CCCc1ccccc1)c1cccc([O-])c1 ZINC000184038252 374484454 /nfs/dbraw/zinc/48/44/54/374484454.db2.gz ISPZNZMPIJCRCG-GOSISDBHSA-N -1 3 260.358 3.133 20 0 CGADHM O=[S@](Cc1ccccc1Cl)c1cccc([O-])c1 ZINC000184056181 374487546 /nfs/dbraw/zinc/48/75/46/374487546.db2.gz BDCFSBDOICTWKU-QGZVFWFLSA-N -1 3 266.749 3.353 20 0 CGADHM CC1(C)CCCC[C@H]1CC(=O)NCc1ncccc1[O-] ZINC000331027085 374497527 /nfs/dbraw/zinc/49/75/27/374497527.db2.gz VWMXFNLNHQEQQQ-LBPRGKRZSA-N -1 3 276.380 3.010 20 0 CGADHM [O-]c1cc(F)cc(CNc2ccc3n[nH]cc3c2)c1 ZINC000184137203 374497437 /nfs/dbraw/zinc/49/74/37/374497437.db2.gz JJNKACDEGUQPRA-UHFFFAOYSA-N -1 3 257.268 3.020 20 0 CGADHM CC1(C)CCC(CC(=O)NCc2ncccc2[O-])CC1 ZINC000331022194 374497989 /nfs/dbraw/zinc/49/79/89/374497989.db2.gz QDTYVBBLGRQKBB-UHFFFAOYSA-N -1 3 276.380 3.010 20 0 CGADHM COC1(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])CCC1 ZINC000332425652 374573903 /nfs/dbraw/zinc/57/39/03/374573903.db2.gz HKOIRAITBQSRCD-UHFFFAOYSA-N -1 3 277.364 3.197 20 0 CGADHM COc1cc(C)cc(-c2nc(-c3ccsc3)no2)c1[O-] ZINC000184835013 374565338 /nfs/dbraw/zinc/56/53/38/374565338.db2.gz VVZPPBCKYDLDSE-UHFFFAOYSA-N -1 3 288.328 3.488 20 0 CGADHM Cc1ccc([O-])c(C(=O)N[C@H]2CCO[C@@H](CC(C)C)C2)c1 ZINC000334087889 374646887 /nfs/dbraw/zinc/64/68/87/374646887.db2.gz WRKKVEQKKQCCBE-KBPBESRZSA-N -1 3 291.391 3.024 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)[C@@]2(C)CCCCO2)c1[O-] ZINC000457668194 374656595 /nfs/dbraw/zinc/65/65/95/374656595.db2.gz LKTXYDKHZMXYJK-CQSZACIVSA-N -1 3 283.755 3.252 20 0 CGADHM CC(C)N(C(=O)c1ccc2c(c1[O-])CCCC2)C1CC1 ZINC000185823832 374745424 /nfs/dbraw/zinc/74/54/24/374745424.db2.gz YHIJOLIVEFWCAL-UHFFFAOYSA-N -1 3 273.376 3.284 20 0 CGADHM CC(C)n1ccc(C(=O)Nc2cc(Cl)ccc2[O-])n1 ZINC000334249123 206255250 /nfs/dbraw/zinc/25/52/50/206255250.db2.gz YOMPSAFIICMCMZ-UHFFFAOYSA-N -1 3 279.727 3.075 20 0 CGADHM CSc1ccccc1[N-]C(=O)c1cncs1 ZINC000334429171 374743607 /nfs/dbraw/zinc/74/36/07/374743607.db2.gz YPMYCNOCCOIAPD-UHFFFAOYSA-N -1 3 250.348 3.117 20 0 CGADHM COc1ccc(F)cc1NC(=O)c1cc([O-])ccc1Cl ZINC000334515044 374810740 /nfs/dbraw/zinc/81/07/40/374810740.db2.gz GXFSZHLUIIRCGP-UHFFFAOYSA-N -1 3 295.697 3.446 20 0 CGADHM [O-]c1cc(F)cc(CN2CCO[C@@H](c3cccs3)C2)c1 ZINC000186199336 374811698 /nfs/dbraw/zinc/81/16/98/374811698.db2.gz PWCRISBWONODGA-CQSZACIVSA-N -1 3 293.363 3.166 20 0 CGADHM CN(Cc1nc2ccccc2n1C)Cc1cc([O-])cc(F)c1 ZINC000186225527 374816097 /nfs/dbraw/zinc/81/60/97/374816097.db2.gz WUHBWHKSHZGKAL-UHFFFAOYSA-N -1 3 299.349 3.050 20 0 CGADHM [O-]c1cc(F)cc(CN2CCc3ccc(F)cc3C2)c1 ZINC000186226299 374819052 /nfs/dbraw/zinc/81/90/52/374819052.db2.gz BGWRWKPCNUYKIW-UHFFFAOYSA-N -1 3 275.298 3.229 20 0 CGADHM Cc1[nH]nc(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)c1C ZINC000334481109 374785233 /nfs/dbraw/zinc/78/52/33/374785233.db2.gz VVWGDKCVNATIPQ-UHFFFAOYSA-N -1 3 299.252 3.003 20 0 CGADHM CC(C)[C@]1(C)C[C@H]1C(=O)Nc1cc(F)ccc1[O-] ZINC000186563532 374876914 /nfs/dbraw/zinc/87/69/14/374876914.db2.gz IIPXBVWRTXMSRF-HZMBPMFUSA-N -1 3 251.301 3.152 20 0 CGADHM C[C@H]1CCN(C(=O)CC[C@@H]2CCOC2)c2c([O-])cccc21 ZINC000186331796 374833928 /nfs/dbraw/zinc/83/39/28/374833928.db2.gz MYCSOSXEYCWKKC-QWHCGFSZSA-N -1 3 289.375 3.049 20 0 CGADHM Cc1ccc(C(=O)Nc2cnn([C@@H](C)C3CC3)c2)c([O-])c1 ZINC000186367150 374838558 /nfs/dbraw/zinc/83/85/58/374838558.db2.gz YIRBUAPZXNUBCJ-NSHDSACASA-N -1 3 285.347 3.120 20 0 CGADHM Cc1ccc(C(=O)Nc2cnn([C@H](C)C3CC3)c2)c([O-])c1 ZINC000186367168 374838941 /nfs/dbraw/zinc/83/89/41/374838941.db2.gz YIRBUAPZXNUBCJ-LLVKDONJSA-N -1 3 285.347 3.120 20 0 CGADHM COc1cccc2c1CCN(Cc1cc([O-])cc(F)c1)C2 ZINC000186413826 374846471 /nfs/dbraw/zinc/84/64/71/374846471.db2.gz VSYFPVVVVNXIJI-UHFFFAOYSA-N -1 3 287.334 3.098 20 0 CGADHM O=C(Nc1ccsc1)c1cn[n-]c1-c1ccsc1 ZINC000187080167 374967875 /nfs/dbraw/zinc/96/78/75/374967875.db2.gz DNVDBZPYJKFABT-UHFFFAOYSA-N -1 3 275.358 3.452 20 0 CGADHM O=C(Nc1ccsc1)c1c[n-]nc1-c1ccsc1 ZINC000187080167 374967879 /nfs/dbraw/zinc/96/78/79/374967879.db2.gz DNVDBZPYJKFABT-UHFFFAOYSA-N -1 3 275.358 3.452 20 0 CGADHM O=C(c1cc([O-])ccc1C(F)(F)F)N1CC[C@H]1C1CC1 ZINC000334689871 374977580 /nfs/dbraw/zinc/97/75/80/374977580.db2.gz NGMCCWHAQNVNGO-LBPRGKRZSA-N -1 3 285.265 3.036 20 0 CGADHM CC(=O)c1ccc(C(=O)Nc2cc(C)ccc2F)cc1[O-] ZINC000335016103 375072435 /nfs/dbraw/zinc/07/24/35/375072435.db2.gz AYNQQWBVKZEZBJ-UHFFFAOYSA-N -1 3 287.290 3.295 20 0 CGADHM CC(=O)CC(C)(C)CC(=O)Nc1c(C)cccc1[O-] ZINC000187844123 375105552 /nfs/dbraw/zinc/10/55/52/375105552.db2.gz AZTBASYJGACIBL-UHFFFAOYSA-N -1 3 263.337 3.035 20 0 CGADHM CCCC[C@@H](CC)CC(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000473848194 375063967 /nfs/dbraw/zinc/06/39/67/375063967.db2.gz PYRHRBLQUKCQNW-TZMCWYRMSA-N -1 3 293.411 3.228 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)[C@@H]2CC[C@H](C)C2)c1-c1ccccc1 ZINC000335086671 375118719 /nfs/dbraw/zinc/11/87/19/375118719.db2.gz PKJGPBJHKZJUCE-SMDDNHRTSA-N -1 3 283.375 3.182 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)[C@@H]2CC[C@@H](C)C2)c1-c1ccccc1 ZINC000335086668 375118876 /nfs/dbraw/zinc/11/88/76/375118876.db2.gz PKJGPBJHKZJUCE-BXUZGUMPSA-N -1 3 283.375 3.182 20 0 CGADHM CCc1cc(C(=O)NCC(C)(C)C(C)C)ccc1[O-] ZINC000487383274 375235320 /nfs/dbraw/zinc/23/53/20/375235320.db2.gz XFKDEMJZPUZJEL-UHFFFAOYSA-N -1 3 263.381 3.367 20 0 CGADHM C[C@H]1C[C@@H]1c1noc(Cc2ccc([O-])cc2Cl)n1 ZINC000335205284 375226839 /nfs/dbraw/zinc/22/68/39/375226839.db2.gz GKEQJMQBHDIJHP-XVKPBYJWSA-N -1 3 264.712 3.143 20 0 CGADHM C[C@@H](NC(=O)c1cccc([O-])c1)c1ccc2ncsc2c1 ZINC000487320716 375227586 /nfs/dbraw/zinc/22/75/86/375227586.db2.gz QJGVAKOPJKYOGR-SNVBAGLBSA-N -1 3 298.367 3.493 20 0 CGADHM O=C(Nc1ccccc1O)c1cc([O-])ccc1C(F)(F)F ZINC000188917913 375290900 /nfs/dbraw/zinc/29/09/00/375290900.db2.gz YCIRSFZJNOZWRN-UHFFFAOYSA-N -1 3 297.232 3.369 20 0 CGADHM Cc1cccc(NC(=O)c2n[n-]nc2-c2ccccc2)c1 ZINC000188816661 375273429 /nfs/dbraw/zinc/27/34/29/375273429.db2.gz CETYZMCIPUJXFU-UHFFFAOYSA-N -1 3 278.315 3.032 20 0 CGADHM CC1(C)CC[C@@H](C(=O)Nc2cccc([O-])c2F)C1 ZINC000335906111 375530888 /nfs/dbraw/zinc/53/08/88/375530888.db2.gz UCFDLXDEYSAAEP-SECBINFHSA-N -1 3 251.301 3.296 20 0 CGADHM O=C(N[C@H]1CCCc2occc21)c1cc([O-])ccc1Cl ZINC000335866073 375495455 /nfs/dbraw/zinc/49/54/55/375495455.db2.gz UWERQUIFFQBXRA-ZDUSSCGKSA-N -1 3 291.734 3.446 20 0 CGADHM CCc1ocnc1C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000335933306 375548604 /nfs/dbraw/zinc/54/86/04/375548604.db2.gz VKABPLIBMHBOEV-UHFFFAOYSA-N -1 3 280.711 3.157 20 0 CGADHM Cc1cnccc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000336019169 375625075 /nfs/dbraw/zinc/62/50/75/375625075.db2.gz YCHNMHNDFOGJLZ-UHFFFAOYSA-N -1 3 262.696 3.001 20 0 CGADHM O=C(c1cc(C(F)(F)F)n[n-]1)N1CCCc2ccccc21 ZINC000336477795 375798546 /nfs/dbraw/zinc/79/85/46/375798546.db2.gz SPPRQGWBKMAHNB-UHFFFAOYSA-N -1 3 295.264 3.022 20 0 CGADHM O=C(c1cc(C(F)(F)F)[n-]n1)N1CCCc2ccccc21 ZINC000336477795 375798550 /nfs/dbraw/zinc/79/85/50/375798550.db2.gz SPPRQGWBKMAHNB-UHFFFAOYSA-N -1 3 295.264 3.022 20 0 CGADHM C[C@@H]1CCN(Cc2ccc(F)cc2C(=O)[O-])CC1(C)C ZINC000514867286 375806933 /nfs/dbraw/zinc/80/69/33/375806933.db2.gz SXTRKWNPKYYOTC-LLVKDONJSA-N -1 3 279.355 3.392 20 0 CGADHM O=C(c1ccc(O)cc1[O-])N1CCC(c2ccccc2)CC1 ZINC000193071412 375822409 /nfs/dbraw/zinc/82/24/09/375822409.db2.gz NOIMDVWXKFWKPX-UHFFFAOYSA-N -1 3 297.354 3.118 20 0 CGADHM CCC[C@H](CC)[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000519411257 375837385 /nfs/dbraw/zinc/83/73/85/375837385.db2.gz NONDYBCNHJOVCT-JTQLQIEISA-N -1 3 293.791 3.336 20 0 CGADHM [O-]c1cccc(CN2CCC[C@H]3COCC[C@H]32)c1Cl ZINC000336613973 375876525 /nfs/dbraw/zinc/87/65/25/375876525.db2.gz NXHBGXXKNVRTAK-QWHCGFSZSA-N -1 3 281.783 3.047 20 0 CGADHM COC(=O)c1cnc(S[C@@H](C)c2ccccc2F)[n-]1 ZINC000193540153 375892619 /nfs/dbraw/zinc/89/26/19/375892619.db2.gz MVJSHYDJYHCHGF-QMMMGPOBSA-N -1 3 280.324 3.189 20 0 CGADHM CCC(CC)n1ccc(C(=O)Nc2cccc([O-])c2F)n1 ZINC000534209008 375962635 /nfs/dbraw/zinc/96/26/35/375962635.db2.gz GOFZTQPHLPUIDK-UHFFFAOYSA-N -1 3 291.326 3.341 20 0 CGADHM CCc1cccc(OCC(=O)Nc2cccc([O-])c2F)c1 ZINC000534208742 375963127 /nfs/dbraw/zinc/96/31/27/375963127.db2.gz SXCRBHPQCBIEIO-UHFFFAOYSA-N -1 3 289.306 3.111 20 0 CGADHM CC1(CCN=c2[n-]cc(C(F)(F)F)s2)CC1 ZINC000336775914 375932124 /nfs/dbraw/zinc/93/21/24/375932124.db2.gz DCEYXGWVFQWKNS-UHFFFAOYSA-N -1 3 250.289 3.186 20 0 CGADHM CCCCS[C@@H](C)C(=O)Nc1cccc([O-])c1F ZINC000535659537 376046164 /nfs/dbraw/zinc/04/61/64/376046164.db2.gz ZBMVUIMRLWZAAD-VIFPVBQESA-N -1 3 271.357 3.392 20 0 CGADHM C[C@@H](c1ccccc1Cl)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000263350759 296239258 /nfs/dbraw/zinc/23/92/58/296239258.db2.gz PRYQXUJXTNINEA-WOPDTQHZSA-N -1 3 281.783 3.444 20 0 CGADHM O=C(c1ccc2c(c1[O-])CCCC2)N1CC[C@H]2CCC[C@H]21 ZINC000436838019 296238982 /nfs/dbraw/zinc/23/89/82/296238982.db2.gz POLBRNMRUKGQAV-CZUORRHYSA-N -1 3 285.387 3.286 20 0 CGADHM O=C(Nc1ccc(OC(F)F)cc1F)c1cccc([O-])c1 ZINC000338311184 376328235 /nfs/dbraw/zinc/32/82/35/376328235.db2.gz XBZJONDHAWNJEA-UHFFFAOYSA-N -1 3 297.232 3.385 20 0 CGADHM C[C@H](c1cc(F)ccc1F)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000226419281 376357338 /nfs/dbraw/zinc/35/73/38/376357338.db2.gz OCLZGQGXHXOSAU-MNOVXSKESA-N -1 3 283.318 3.213 20 0 CGADHM Cc1cc(C(=O)N[C@@H](C)CCc2ccco2)ccc1[O-] ZINC000227013826 376377598 /nfs/dbraw/zinc/37/75/98/376377598.db2.gz DMSFBKBOKKXMMC-LBPRGKRZSA-N -1 3 273.332 3.045 20 0 CGADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCC[C@H]1C1CCC1 ZINC000263993734 190088017 /nfs/dbraw/zinc/08/80/17/190088017.db2.gz OQGBDWZPJMRVJZ-INIZCTEOSA-N -1 3 296.370 3.345 20 0 CGADHM C[C@@H]1CCN(C(=O)c2ccc(O)cc2[O-])[C@@H]2CCCC[C@H]12 ZINC000541888687 376491312 /nfs/dbraw/zinc/49/13/12/376491312.db2.gz UAUNXBKRPCHFCC-UXIGCNINSA-N -1 3 289.375 3.139 20 0 CGADHM CC1(CNC(=O)c2cc([O-])ccc2Cl)CCCC1 ZINC000232799312 376590559 /nfs/dbraw/zinc/59/05/59/376590559.db2.gz YXVQRKKQGKOUJP-UHFFFAOYSA-N -1 3 267.756 3.356 20 0 CGADHM CN(Cc1ccccc1)C(=O)c1cc([O-])ccc1Cl ZINC000234291787 376614263 /nfs/dbraw/zinc/61/42/63/376614263.db2.gz FGESUQKUJPKFOT-UHFFFAOYSA-N -1 3 275.735 3.318 20 0 CGADHM COc1ccccc1NC(=O)c1cc([O-])ccc1Cl ZINC000234910242 376622280 /nfs/dbraw/zinc/62/22/80/376622280.db2.gz VUMPMKAMOFJVEE-UHFFFAOYSA-N -1 3 277.707 3.307 20 0 CGADHM CSC1(CNC(=O)c2cc([O-])ccc2Cl)CCC1 ZINC000235182544 376634548 /nfs/dbraw/zinc/63/45/48/376634548.db2.gz WMAYWARGYIJQGO-UHFFFAOYSA-N -1 3 285.796 3.061 20 0 CGADHM C[C@@H]1CCCC[C@H]1NC(=O)c1cc([O-])ccc1Cl ZINC000235267224 376637517 /nfs/dbraw/zinc/63/75/17/376637517.db2.gz KUNUYVAJHJHWCV-NOZJJQNGSA-N -1 3 267.756 3.354 20 0 CGADHM Cc1csc(NC(=O)c2cc([O-])ccc2Cl)n1 ZINC000235951127 376654879 /nfs/dbraw/zinc/65/48/79/376654879.db2.gz MYTUEWAJVLUOKS-UHFFFAOYSA-N -1 3 268.725 3.063 20 0 CGADHM CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2ccncc2Cl)C1 ZINC000135032548 542086574 /nfs/dbraw/zinc/08/65/74/542086574.db2.gz IEXBNZHXNGDTQL-LBPRGKRZSA-N -1 3 296.798 3.058 20 0 CGADHM C[C@@H](C[C@@H]1CCCO1)NCc1cccc([O-])c1Cl ZINC000339215133 376736013 /nfs/dbraw/zinc/73/60/13/376736013.db2.gz QJUNEYVSCUCJNH-JQWIXIFHSA-N -1 3 269.772 3.093 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)[C@@H](C)CC(C)C)c1-c1ccccc1 ZINC000545203676 376796651 /nfs/dbraw/zinc/79/66/51/376796651.db2.gz YJWYQLSIAKOFCE-LBPRGKRZSA-N -1 3 285.391 3.428 20 0 CGADHM Cc1ncc(C(=O)Nc2ncccc2[O-])c(Cl)c1Cl ZINC000153663556 542114009 /nfs/dbraw/zinc/11/40/09/542114009.db2.gz UKSZNPJYBMLIEX-UHFFFAOYSA-N -1 3 298.129 3.050 20 0 CGADHM CC(C)CO[C@@H](C)C(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000545246652 376802365 /nfs/dbraw/zinc/80/23/65/376802365.db2.gz QATPEIXUULAWMJ-OLZOCXBDSA-N -1 3 291.391 3.294 20 0 CGADHM Cc1ccc(NC(=O)[C@@H](C)OCc2ccccc2)c([O-])c1 ZINC000340033527 376897915 /nfs/dbraw/zinc/89/79/15/376897915.db2.gz RCILFBPUHBKYFH-CYBMUJFWSA-N -1 3 285.343 3.244 20 0 CGADHM Cc1ccc([O-])c(C(=O)N[C@@H]2CCCc3occc32)c1 ZINC000339973419 376885517 /nfs/dbraw/zinc/88/55/17/376885517.db2.gz BYJKOVMAWPDJAE-CYBMUJFWSA-N -1 3 271.316 3.101 20 0 CGADHM C[C@@H](C(=O)Nc1c([O-])cccc1Cl)C1CCOCC1 ZINC000557182365 376924634 /nfs/dbraw/zinc/92/46/34/376924634.db2.gz OJJVRJYWVUNIDG-SECBINFHSA-N -1 3 283.755 3.047 20 0 CGADHM Cc1ccccc1[C@@H](C)CC(=O)N=c1cc2ccccn2[n-]1 ZINC000557527664 376941670 /nfs/dbraw/zinc/94/16/70/376941670.db2.gz RESBAAUIRRXOKR-AWEZNQCLSA-N -1 3 293.370 3.197 20 0 CGADHM CCCC[C@H](C)c1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000558888430 377052204 /nfs/dbraw/zinc/05/22/04/377052204.db2.gz MFABAJYMMCGFFG-VIFPVBQESA-N -1 3 271.324 3.302 20 0 CGADHM CC(C)c1ncncc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000340301167 376989520 /nfs/dbraw/zinc/98/95/20/376989520.db2.gz RFCUSRGWYVCTNN-UHFFFAOYSA-N -1 3 291.738 3.211 20 0 CGADHM Cc1cncc(C(=O)Nc2cc(C(F)(F)F)ccc2[O-])c1 ZINC000340315839 376997239 /nfs/dbraw/zinc/99/72/39/376997239.db2.gz RHYHOLJAGVHULB-UHFFFAOYSA-N -1 3 296.248 3.367 20 0 CGADHM CCO[C@H](CC(=O)Nc1cc(F)ccc1[O-])C1=CCCC1 ZINC000340316078 376997907 /nfs/dbraw/zinc/99/79/07/376997907.db2.gz VEHQGOFNBAWODM-OAHLLOKOSA-N -1 3 293.338 3.375 20 0 CGADHM CCOc1cc(CN2[C@H](C)C[C@H]2C)cc(Cl)c1[O-] ZINC000560610449 377179992 /nfs/dbraw/zinc/17/99/92/377179992.db2.gz IRDZECBVOBUPSM-NXEZZACHSA-N -1 3 269.772 3.427 20 0 CGADHM Cc1noc(C)c1[N-]C(=O)c1cncnc1-c1ccccc1 ZINC000341118766 377405122 /nfs/dbraw/zinc/40/51/22/377405122.db2.gz CANJVUWKNAKKAH-UHFFFAOYSA-N -1 3 294.314 3.001 20 0 CGADHM COc1cccc(C(=O)Nc2ccc(C(C)=O)c(C)c2)c1[O-] ZINC000089409970 249028515 /nfs/dbraw/zinc/02/85/15/249028515.db2.gz JIABBNWJNYGRNA-UHFFFAOYSA-N -1 3 299.326 3.164 20 0 CGADHM O=C(Nc1ccccc1[O-])[C@H]1CCCCC1(F)F ZINC000294661985 249074508 /nfs/dbraw/zinc/07/45/08/249074508.db2.gz WMGJJPQBCVYGGR-SECBINFHSA-N -1 3 255.264 3.156 20 0 CGADHM Cn1c(=O)[n-]nc1SCc1ccc(C2CCCC2)cc1 ZINC000341370480 377533832 /nfs/dbraw/zinc/53/38/32/377533832.db2.gz URWILEOBFHKKIW-UHFFFAOYSA-N -1 3 289.404 3.471 20 0 CGADHM CC[C@@H](C)NCc1cccc([O-])c1Br ZINC000315289153 249097752 /nfs/dbraw/zinc/09/77/52/249097752.db2.gz DDHIFPRNZCWAAY-MRVPVSSYSA-N -1 3 258.159 3.043 20 0 CGADHM C[C@H]1CCC[C@H]1NCc1cccc([O-])c1Br ZINC000315045707 249098219 /nfs/dbraw/zinc/09/82/19/249098219.db2.gz QWSCTJHCGUODOK-GXSJLCMTSA-N -1 3 284.197 3.433 20 0 CGADHM CC1(C)C[C@@H]1CNCc1cccc([O-])c1Br ZINC000315234655 249098352 /nfs/dbraw/zinc/09/83/52/249098352.db2.gz KPDNWEAMJRVGLC-SNVBAGLBSA-N -1 3 284.197 3.290 20 0 CGADHM C[C@H](NCc1cccc([O-])c1Br)C(F)(F)F ZINC000315139249 249098383 /nfs/dbraw/zinc/09/83/83/249098383.db2.gz QPEMTXOCYXCGTC-LURJTMIESA-N -1 3 298.102 3.195 20 0 CGADHM CO[C@@H]1CCCC[C@H]1C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000490822835 249173909 /nfs/dbraw/zinc/17/39/09/249173909.db2.gz RXDMDBYYBSRSMA-DGCLKSJQSA-N -1 3 297.782 3.498 20 0 CGADHM CCCCN(CCC(=O)[O-])Cc1cccc(F)c1F ZINC000516479773 249234920 /nfs/dbraw/zinc/23/49/20/249234920.db2.gz WLYQINUWGNFGIP-UHFFFAOYSA-N -1 3 271.307 3.042 20 0 CGADHM C[C@@H]1C[C@@H](C)N1Cc1cccc([O-])c1Br ZINC000516852454 249245951 /nfs/dbraw/zinc/24/59/51/249245951.db2.gz GFQSECWDMSYLSV-RKDXNWHRSA-N -1 3 270.170 3.137 20 0 CGADHM CCC1(CC)[C@H](N(C)Cc2cc(C(=O)[O-])co2)C[C@@H]1OC ZINC000516872630 249247275 /nfs/dbraw/zinc/24/72/75/249247275.db2.gz JGIGKQLENYECFC-KGLIPLIRSA-N -1 3 295.379 3.003 20 0 CGADHM COc1cc(Cl)ccc1CN(C[C@H](C)C(=O)[O-])C1CC1 ZINC000518387191 249280123 /nfs/dbraw/zinc/28/01/23/249280123.db2.gz ZRPXNTVLUHOOSF-JTQLQIEISA-N -1 3 297.782 3.034 20 0 CGADHM CC(C)c1noc([N-][C@@H]2CCc3c2cccc3F)n1 ZINC000265587308 190191884 /nfs/dbraw/zinc/19/18/84/190191884.db2.gz HIKSZMGLGRDHML-GFCCVEGCSA-N -1 3 261.300 3.432 20 0 CGADHM Cc1cc(C(=O)N2CC(C)(C)[C@H]3CCC[C@@H]32)ccc1[O-] ZINC000294130055 291682638 /nfs/dbraw/zinc/68/26/38/291682638.db2.gz CRNVXSPDPKEOSQ-KBPBESRZSA-N -1 3 273.376 3.351 20 0 CGADHM O=C([O-])[C@H](c1c(F)cccc1Cl)N1C[C@@H]2CCC[C@H]2C1 ZINC000574816934 377713527 /nfs/dbraw/zinc/71/35/27/377713527.db2.gz XSJTUHQDTOUDDS-BHDSKKPTSA-N -1 3 297.757 3.337 20 0 CGADHM Cc1cc(CN2CC[C@@H](Cc3ccccc3)C2)oc1C(=O)[O-] ZINC000575065288 377744265 /nfs/dbraw/zinc/74/42/65/377744265.db2.gz DTHUVQMOJSJSJP-HNNXBMFYSA-N -1 3 299.370 3.351 20 0 CGADHM O=C([O-])c1cccc(CN2CCC[C@@H]2c2ccccn2)c1 ZINC000575151515 377755365 /nfs/dbraw/zinc/75/53/65/377755365.db2.gz ZHHZMTRWDDHFJY-MRXNPFEDSA-N -1 3 282.343 3.117 20 0 CGADHM COC(=O)c1ccc(C(=O)Nc2cc(C)ccc2Cl)[n-]1 ZINC000342974742 377875053 /nfs/dbraw/zinc/87/50/53/377875053.db2.gz YPDPXWAGGXIXJG-UHFFFAOYSA-N -1 3 292.722 3.015 20 0 CGADHM CC(C)OCCCN(C)C(=O)c1ccc(C(C)C)cc1[O-] ZINC000265932597 190217759 /nfs/dbraw/zinc/21/77/59/190217759.db2.gz ORXUWHRBKXISAR-UHFFFAOYSA-N -1 3 293.407 3.403 20 0 CGADHM CC(C)C[C@H](CNCc1ncc(C(C)C)s1)C(=O)[O-] ZINC000263454151 377939796 /nfs/dbraw/zinc/93/97/96/377939796.db2.gz BMZARTKOYKJAKQ-LLVKDONJSA-N -1 3 284.425 3.103 20 0 CGADHM Cc1ccccc1-c1cccc(CN2CC(C(=O)[O-])C2)c1 ZINC000263476170 377941559 /nfs/dbraw/zinc/94/15/59/377941559.db2.gz FKFGQVPZRWPZOU-UHFFFAOYSA-N -1 3 281.355 3.178 20 0 CGADHM Cc1nc2ccccc2c(N2CCC(C(=O)[O-])CC2)c1C ZINC000263535120 377945454 /nfs/dbraw/zinc/94/54/54/377945454.db2.gz YSVDBCMADGCHRX-UHFFFAOYSA-N -1 3 284.359 3.153 20 0 CGADHM CCCC[C@H](NCc1ccc(OC)cc1Cl)C(=O)[O-] ZINC000262506565 377900760 /nfs/dbraw/zinc/90/07/60/377900760.db2.gz AKDVBPXWMCGBIA-ZDUSSCGKSA-N -1 3 285.771 3.082 20 0 CGADHM CC[C@H](C)[C@H](NCc1cc2ccccc2o1)C(=O)[O-] ZINC000262683115 377907506 /nfs/dbraw/zinc/90/75/06/377907506.db2.gz BVVAUTMVTILJIK-HZMBPMFUSA-N -1 3 261.321 3.022 20 0 CGADHM CC[C@H](C)[C@@H](C)N(C(=O)c1ccccc1[O-])C1CC1 ZINC000264231223 377967253 /nfs/dbraw/zinc/96/72/53/377967253.db2.gz BEGRIGGFLSLEKZ-NWDGAFQWSA-N -1 3 261.365 3.431 20 0 CGADHM COCCC1(c2nc(-c3ccc([O-])cc3)no2)CCCC1 ZINC000268459829 378062081 /nfs/dbraw/zinc/06/20/81/378062081.db2.gz UBVVLKWPOFJVDW-UHFFFAOYSA-N -1 3 288.347 3.291 20 0 CGADHM Cc1ccc(F)c(CN(C)[C@@H](CC(C)C)C(=O)[O-])c1 ZINC000577957707 378026629 /nfs/dbraw/zinc/02/66/29/378026629.db2.gz FCXBHFFUDAMLLN-AWEZNQCLSA-N -1 3 267.344 3.065 20 0 CGADHM Nc1c(F)cc(Cl)cc1C(=O)Nc1cc(F)ccc1[O-] ZINC000343813304 378101159 /nfs/dbraw/zinc/10/11/59/378101159.db2.gz UKKQYZGTXLTHFM-UHFFFAOYSA-N -1 3 298.676 3.158 20 0 CGADHM O=C([O-])CN(Cc1cccc(Cl)c1Cl)C1CCC1 ZINC000579730146 378189608 /nfs/dbraw/zinc/18/96/08/378189608.db2.gz CWRJQDZOGAWPEV-UHFFFAOYSA-N -1 3 288.174 3.433 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2cnc(-c3ccccc3)nc2)n1 ZINC000579510741 378168320 /nfs/dbraw/zinc/16/83/20/378168320.db2.gz ZMLOKLHGJAYDGI-FPLPWBNLSA-N -1 3 290.326 3.118 20 0 CGADHM CC1(C)CN(CCCCC(=O)[O-])CC[C@@H]1C(F)(F)F ZINC000583268738 378316107 /nfs/dbraw/zinc/31/61/07/378316107.db2.gz UKZKNSKVHQETBF-JTQLQIEISA-N -1 3 281.318 3.152 20 0 CGADHM C[C@@H]1Cc2cc(F)ccc2[C@@H](C)N1CC1(CC(=O)[O-])CC1 ZINC000583570264 378332675 /nfs/dbraw/zinc/33/26/75/378332675.db2.gz JLWMOTPUFXWSHM-VXGBXAGGSA-N -1 3 291.366 3.388 20 0 CGADHM CCC(CC)N(CC(C)C)C(=O)Cc1cncc([O-])c1 ZINC000611939623 378406227 /nfs/dbraw/zinc/40/62/27/378406227.db2.gz QWHWUAFYMVADCP-UHFFFAOYSA-N -1 3 278.396 3.003 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2cc(F)cc(Cl)c2)n1 ZINC000345920791 378409315 /nfs/dbraw/zinc/40/93/15/378409315.db2.gz DMKIFBNTGIYZKX-UHFFFAOYSA-N -1 3 280.686 3.140 20 0 CGADHM Cc1ccc(C(=O)CCC(=O)Nc2nc(C)ccc2[O-])cc1 ZINC000345936532 378412784 /nfs/dbraw/zinc/41/27/84/378412784.db2.gz VZIBQYXBLLTMLO-UHFFFAOYSA-N -1 3 298.342 3.006 20 0 CGADHM Cc1cc(C)cc(C2(C(=O)Nc3nc(C)ccc3[O-])CC2)c1 ZINC000345934826 378413293 /nfs/dbraw/zinc/41/32/93/378413293.db2.gz IIYHPFJXFPGBRD-UHFFFAOYSA-N -1 3 296.370 3.383 20 0 CGADHM CN(CCC1CC1)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000345973192 378425893 /nfs/dbraw/zinc/42/58/93/378425893.db2.gz WMYAQDWQOUMZIA-UHFFFAOYSA-N -1 3 279.355 3.113 20 0 CGADHM Cc1ccc([O-])c(NC(=O)[C@@H](C)c2ccc(F)c(F)c2)n1 ZINC000345995075 378433797 /nfs/dbraw/zinc/43/37/97/378433797.db2.gz RNKVSFRNUAZFSG-VIFPVBQESA-N -1 3 292.285 3.116 20 0 CGADHM O=C(Nc1ncccc1[O-])c1cc(F)c2ccccc2c1 ZINC000346319486 378541439 /nfs/dbraw/zinc/54/14/39/378541439.db2.gz YFDFTIKJIWEAEC-UHFFFAOYSA-N -1 3 282.274 3.332 20 0 CGADHM CCOc1nc2cc(C(=O)N[C@@H](C)[C@@H](C)CC)ccc2[n-]1 ZINC000346377719 378560304 /nfs/dbraw/zinc/56/03/04/378560304.db2.gz FFXHIPVUJXMQJL-QWRGUYRKSA-N -1 3 289.379 3.126 20 0 CGADHM CCOc1nc2ccc(C(=O)N[C@@H](C)[C@@H](C)CC)cc2[n-]1 ZINC000346377719 378560311 /nfs/dbraw/zinc/56/03/11/378560311.db2.gz FFXHIPVUJXMQJL-QWRGUYRKSA-N -1 3 289.379 3.126 20 0 CGADHM Cc1cc(C(=O)N([C@H](C)C(C)C)C2CC2)ccc1[O-] ZINC000272393488 378627118 /nfs/dbraw/zinc/62/71/18/378627118.db2.gz HDVMDRXAFBOOTN-GFCCVEGCSA-N -1 3 261.365 3.350 20 0 CGADHM COc1ccc(CCCNC(=O)c2ccc([O-])c(C)c2)cc1 ZINC000272408774 378629573 /nfs/dbraw/zinc/62/95/73/378629573.db2.gz IQESULLNLBHFLL-UHFFFAOYSA-N -1 3 299.370 3.072 20 0 CGADHM COc1cc(C(=O)N(C)C2CCCCCC2)ccc1[O-] ZINC000272580928 378669870 /nfs/dbraw/zinc/66/98/70/378669870.db2.gz FPTNXDKKHCMRDB-UHFFFAOYSA-N -1 3 277.364 3.196 20 0 CGADHM CCN(CCC1CC1)C(=O)c1cc([O-])ccc1Cl ZINC000346705904 378681468 /nfs/dbraw/zinc/68/14/68/378681468.db2.gz DNZLQJMQGFXVAA-UHFFFAOYSA-N -1 3 267.756 3.308 20 0 CGADHM CCCCN(CC(F)(F)F)C(=O)c1cccc([O-])c1 ZINC000272814211 378708291 /nfs/dbraw/zinc/70/82/91/378708291.db2.gz NYAWMIXPEXIRSW-UHFFFAOYSA-N -1 3 275.270 3.197 20 0 CGADHM CC[C@H](C)[C@H](C)C(=O)N1CCCc2cccc([O-])c21 ZINC000272919764 378722858 /nfs/dbraw/zinc/72/28/58/378722858.db2.gz DZDPEFLJUJXHAB-RYUDHWBXSA-N -1 3 261.365 3.354 20 0 CGADHM CC[C@@H]1CCCC[C@@H]1OCC(=O)[N-]c1onc(C)c1C ZINC000274411674 378828361 /nfs/dbraw/zinc/82/83/61/378828361.db2.gz VQNUTHFYZWTIGG-OLZOCXBDSA-N -1 3 280.368 3.215 20 0 CGADHM CCc1ccc([C@H](CC)NCc2cnc(C)[n-]c2=O)cc1 ZINC000346802597 218018486 /nfs/dbraw/zinc/01/84/86/218018486.db2.gz DEQZLFGSSBVKER-INIZCTEOSA-N -1 3 285.391 3.294 20 0 CGADHM CC[C@@H](NCc1cnc(C)[n-]c1=O)c1ccc(Cl)cc1 ZINC000346801205 218018610 /nfs/dbraw/zinc/01/86/10/218018610.db2.gz RRYSACMZBYQUKG-CQSZACIVSA-N -1 3 291.782 3.385 20 0 CGADHM Cc1ccsc1CN[C@@H](CC(=O)[O-])c1ccsc1 ZINC000276984701 379036939 /nfs/dbraw/zinc/03/69/39/379036939.db2.gz IYVMANZZJLHKDW-NSHDSACASA-N -1 3 281.402 3.424 20 0 CGADHM C[C@H]1C[C@H]1CC(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000567974351 322186206 /nfs/dbraw/zinc/18/62/06/322186206.db2.gz QAEBZPHUUGXZDZ-YUMQZZPRSA-N -1 3 289.253 3.275 20 0 CGADHM O=C([O-])[C@@H](NC[C@H]1CC=CCC1)c1c(F)cccc1F ZINC000277166028 379086529 /nfs/dbraw/zinc/08/65/29/379086529.db2.gz DLQRISLEVNIJAQ-HZMBPMFUSA-N -1 3 281.302 3.036 20 0 CGADHM CC(C)CN(C)C(=O)c1cc([O-])ccc1C(F)(F)F ZINC000277666075 379210774 /nfs/dbraw/zinc/21/07/74/379210774.db2.gz MBWLLFNDPHKKFE-UHFFFAOYSA-N -1 3 275.270 3.139 20 0 CGADHM CCS[C@H]1CCC[C@@H]1NC(=O)c1cc([O-])ccc1Cl ZINC000277656734 379209435 /nfs/dbraw/zinc/20/94/35/379209435.db2.gz LHJGWKDPWSDMNF-STQMWFEESA-N -1 3 299.823 3.450 20 0 CGADHM Cc1cccc2[nH]c(CNCc3cc([O-])cc(F)c3)nc21 ZINC000349655853 379333262 /nfs/dbraw/zinc/33/32/62/379333262.db2.gz NPUKHWHCQZLFOF-UHFFFAOYSA-N -1 3 285.322 3.006 20 0 CGADHM Cc1ccc2c(c1)C(=O)N(C)[C@@H](c1ccc([O-])cc1F)N2 ZINC000639418496 379370395 /nfs/dbraw/zinc/37/03/95/379370395.db2.gz WMRDSALMZDXUPG-HNNXBMFYSA-N -1 3 286.306 3.036 20 0 CGADHM CCc1cc(N[C@@H](C)C(=O)[N-]c2cc(C)no2)ccc1F ZINC000349966935 379464203 /nfs/dbraw/zinc/46/42/03/379464203.db2.gz AGNRWOPTQQLOQD-JTQLQIEISA-N -1 3 291.326 3.124 20 0 CGADHM COc1cc(C)cc(-c2nc(-c3ccnc(C)c3)no2)c1[O-] ZINC000350564964 379562348 /nfs/dbraw/zinc/56/23/48/379562348.db2.gz GMXOZWDQHDJMJD-UHFFFAOYSA-N -1 3 297.314 3.130 20 0 CGADHM C[C@H]1Oc2cc(F)ccc2[C@H]1NCc1cc([O-])cc(F)c1 ZINC000377382335 379667064 /nfs/dbraw/zinc/66/70/64/379667064.db2.gz KZCVFRSEINXDBN-ABKXIKBNSA-N -1 3 291.297 3.282 20 0 CGADHM COc1cc(-c2noc([C@H](CC(C)C)OC)n2)ccc1[O-] ZINC000351178608 379671762 /nfs/dbraw/zinc/67/17/62/379671762.db2.gz GLTZECZWFBXDOS-ZDUSSCGKSA-N -1 3 292.335 3.184 20 0 CGADHM CC1(C)C(CNC(=O)c2cc(=O)c3ccccc3[n-]2)C1(C)C ZINC000280483377 379716365 /nfs/dbraw/zinc/71/63/65/379716365.db2.gz JYWSAPDKAMQAQT-UHFFFAOYSA-N -1 3 298.386 3.352 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)c2conc2C2CC2)c1[O-] ZINC000280656786 379756858 /nfs/dbraw/zinc/75/68/58/379756858.db2.gz AIGDRAPXFXLAJC-UHFFFAOYSA-N -1 3 292.722 3.472 20 0 CGADHM CC1(C)CCC[C@H]1NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000267399358 190327256 /nfs/dbraw/zinc/32/72/56/190327256.db2.gz MMBQNCJVCBSBAX-OAHLLOKOSA-N -1 3 284.359 3.249 20 0 CGADHM CCC(CC)(C(=O)NCc1ncccc1[O-])c1ccccc1 ZINC000352518474 379842852 /nfs/dbraw/zinc/84/28/52/379842852.db2.gz XFKMTUCHXBJVPM-UHFFFAOYSA-N -1 3 298.386 3.161 20 0 CGADHM Cc1cc(C(=O)NCc2ccc3ncccc3c2)ccc1[O-] ZINC000352522073 379843010 /nfs/dbraw/zinc/84/30/10/379843010.db2.gz DGMPUMOTWAXZCW-UHFFFAOYSA-N -1 3 292.338 3.179 20 0 CGADHM CSCCCN(C)C(=O)c1cc([O-])c2ccccc2c1 ZINC000281806463 379844962 /nfs/dbraw/zinc/84/49/62/379844962.db2.gz WOEXUMTXNKBVMW-UHFFFAOYSA-N -1 3 289.400 3.371 20 0 CGADHM C[C@@H]1CCN1C(=O)CCc1ccc2ccccc2c1[O-] ZINC000641241351 379973642 /nfs/dbraw/zinc/97/36/42/379973642.db2.gz BOXYIIMYCNZENN-GFCCVEGCSA-N -1 3 269.344 3.099 20 0 CGADHM O=C([N-]OCc1ccccc1)[C@@H]1CCCC(F)(F)C1 ZINC000282741336 379980184 /nfs/dbraw/zinc/98/01/84/379980184.db2.gz RQTWFPISUVKUMK-GFCCVEGCSA-N -1 3 269.291 3.060 20 0 CGADHM CC[C@@]1(C)CCN(Cc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000399293658 379938479 /nfs/dbraw/zinc/93/84/79/379938479.db2.gz IRYJOPPJBOISPU-HNNXBMFYSA-N -1 3 265.328 3.146 20 0 CGADHM C[C@@H](CN(C)Cc1occc1C(=O)[O-])C(C)(C)C ZINC000399564098 379941349 /nfs/dbraw/zinc/94/13/49/379941349.db2.gz HSQQURMMVRCWCL-JTQLQIEISA-N -1 3 253.342 3.092 20 0 CGADHM C[C@H](CCC(C)(C)C)C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000352988861 380067014 /nfs/dbraw/zinc/06/70/14/380067014.db2.gz QIIXXLFNBZGXOA-YPMHNXCESA-N -1 3 293.411 3.084 20 0 CGADHM [O-]c1ccccc1Sc1nc(C2CCOCC2)ns1 ZINC000641679361 380044484 /nfs/dbraw/zinc/04/44/84/380044484.db2.gz RDNNYOMAUWEQHJ-UHFFFAOYSA-N -1 3 294.401 3.289 20 0 CGADHM CC(C)c1ccc(C(=O)N2C[C@@H]3CCC[C@H]3C2)c([O-])c1 ZINC000268103085 190377337 /nfs/dbraw/zinc/37/73/37/190377337.db2.gz BOZWBDQIRZDVJE-KBPBESRZSA-N -1 3 273.376 3.388 20 0 CGADHM C[C@@H]1CCN(Cc2c(F)ccc([O-])c2F)CC1(F)F ZINC000353207959 380169251 /nfs/dbraw/zinc/16/92/51/380169251.db2.gz ZQQUISBMVKDYDL-MRVPVSSYSA-N -1 3 277.261 3.148 20 0 CGADHM CCc1[nH]ccc1C(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000286243684 380180705 /nfs/dbraw/zinc/18/07/05/380180705.db2.gz ZCZDPHOESKZNQG-LLVKDONJSA-N -1 3 284.359 3.437 20 0 CGADHM Cc1ccncc1CN(C)Cc1c(F)ccc([O-])c1F ZINC000353263546 380195938 /nfs/dbraw/zinc/19/59/38/380195938.db2.gz GFEQCXSBIMJIJR-UHFFFAOYSA-N -1 3 278.302 3.006 20 0 CGADHM Cc1cc(C(=O)NCc2ccc3ccccc3n2)ccc1[O-] ZINC000354414110 380429404 /nfs/dbraw/zinc/42/94/04/380429404.db2.gz LQTZPKMEOVBTRE-UHFFFAOYSA-N -1 3 292.338 3.179 20 0 CGADHM CSCCCCNC(=O)c1cc([O-])c2ccccc2c1 ZINC000354464982 380450143 /nfs/dbraw/zinc/45/01/43/380450143.db2.gz TYHWLUKFCXFPLZ-UHFFFAOYSA-N -1 3 289.400 3.418 20 0 CGADHM CCc1cc(C(=O)Nc2cccc(COC)c2)ccc1[O-] ZINC000643933643 380397836 /nfs/dbraw/zinc/39/78/36/380397836.db2.gz VYSWOOOCANMFNI-UHFFFAOYSA-N -1 3 285.343 3.353 20 0 CGADHM Cc1cccc([O-])c1NC(=O)C1CCC(OC(F)F)CC1 ZINC000354561639 380485460 /nfs/dbraw/zinc/48/54/60/380485460.db2.gz NMIHDZBTLAPYOK-UHFFFAOYSA-N -1 3 299.317 3.437 20 0 CGADHM C[C@@H](Cn1ccc2ccccc21)C(=O)Nc1ncccc1[O-] ZINC000354622672 380505038 /nfs/dbraw/zinc/50/50/38/380505038.db2.gz ZOVYGKWFYKGGHW-LBPRGKRZSA-N -1 3 295.342 3.017 20 0 CGADHM CCc1nc(C(=O)Nc2cc(Cl)cc(C)c2[O-])c(C)o1 ZINC000354523931 380469642 /nfs/dbraw/zinc/46/96/42/380469642.db2.gz ZYBMKUZMOPEZEF-UHFFFAOYSA-N -1 3 294.738 3.465 20 0 CGADHM CCSc1ccc(Cl)cc1[N-]C(=O)c1cncnc1 ZINC000354767219 380553433 /nfs/dbraw/zinc/55/34/33/380553433.db2.gz ISEFWUKXZBPHBG-UHFFFAOYSA-N -1 3 293.779 3.494 20 0 CGADHM CC(C)(CC(F)F)c1nc(-c2ccc([O-])cc2)no1 ZINC000417227378 380577727 /nfs/dbraw/zinc/57/77/27/380577727.db2.gz CICXHUNQQOESBU-UHFFFAOYSA-N -1 3 268.263 3.375 20 0 CGADHM O=C([O-])C1(CNCc2ccc(-c3ccccc3F)o2)CC1 ZINC000417606603 380648866 /nfs/dbraw/zinc/64/88/66/380648866.db2.gz FPQHTAOYCMFJLL-UHFFFAOYSA-N -1 3 289.306 3.040 20 0 CGADHM C[C@H]1CCC[C@](NCc2csc(C3CC3)n2)(C(=O)[O-])C1 ZINC000417572507 380641347 /nfs/dbraw/zinc/64/13/47/380641347.db2.gz VLKIIPJBDFXHJV-ZUZCIYMTSA-N -1 3 294.420 3.144 20 0 CGADHM CCCSC[C@@H](NCc1cc(Cl)cs1)C(=O)[O-] ZINC000417578905 380643746 /nfs/dbraw/zinc/64/37/46/380643746.db2.gz BGKQLTPKWXRUBM-SNVBAGLBSA-N -1 3 293.841 3.088 20 0 CGADHM Cc1ccc(CN[C@H](CCC(=O)[O-])c2ccccc2)o1 ZINC000417605050 380647080 /nfs/dbraw/zinc/64/70/80/380647080.db2.gz WYOZYRGMOPRDQT-OAHLLOKOSA-N -1 3 273.332 3.284 20 0 CGADHM CCOc1ccc(CNCc2ccc(C(=O)[O-])c(C)c2)cc1 ZINC000417668180 380663744 /nfs/dbraw/zinc/66/37/44/380663744.db2.gz JSYXFIYUUYCYPP-UHFFFAOYSA-N -1 3 299.370 3.382 20 0 CGADHM Cc1ccsc1CN[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000417621448 380655062 /nfs/dbraw/zinc/65/50/62/380655062.db2.gz MVCNBZJSRXGALJ-ZIAGYGMSSA-N -1 3 287.384 3.459 20 0 CGADHM C[C@@H](CNCc1ccc(F)c(Cl)c1Cl)CC(=O)[O-] ZINC000417632323 380658146 /nfs/dbraw/zinc/65/81/46/380658146.db2.gz ZVSAYOLTRPIUAX-SSDOTTSWSA-N -1 3 294.153 3.333 20 0 CGADHM CC(C)c1ccc(C(=O)N2Cc3cccnc3C2)c([O-])c1 ZINC000646065819 380816906 /nfs/dbraw/zinc/81/69/06/380816906.db2.gz HNQHUZAAYMCTLR-UHFFFAOYSA-N -1 3 282.343 3.067 20 0 CGADHM Cc1ccc2c(c1)N(Cc1nc(C)ccc1[O-])CCC2 ZINC000356950722 380951670 /nfs/dbraw/zinc/95/16/70/380951670.db2.gz XGNTVLXZCDTFPJ-UHFFFAOYSA-N -1 3 268.360 3.357 20 0 CGADHM C[C@@H](NC(=O)c1cccc([O-])c1)c1c(F)cccc1F ZINC000357184935 381058665 /nfs/dbraw/zinc/05/86/65/381058665.db2.gz IJHRRQQMBNIZEF-SECBINFHSA-N -1 3 277.270 3.161 20 0 CGADHM CCC(=O)Nc1ccc(C)c(NC(=O)c2cccc([O-])c2)c1 ZINC000357261557 381086692 /nfs/dbraw/zinc/08/66/92/381086692.db2.gz RABAMSBVYQGNCC-UHFFFAOYSA-N -1 3 298.342 3.301 20 0 CGADHM CC(C)CC1(CNC(=O)c2cccc([O-])c2)CCC1 ZINC000357295251 381095243 /nfs/dbraw/zinc/09/52/43/381095243.db2.gz AFSFBTHERHRCIB-UHFFFAOYSA-N -1 3 261.365 3.338 20 0 CGADHM CC1(C)C(NC(=O)Cc2ccc([O-])cc2Cl)C1(C)C ZINC000357307412 381099013 /nfs/dbraw/zinc/09/90/13/381099013.db2.gz PKXSTYGDTLWDKQ-UHFFFAOYSA-N -1 3 281.783 3.139 20 0 CGADHM O=c1ccnc(C(=Cc2cncs2)Cc2ccccc2)[n-]1 ZINC000357418688 381152041 /nfs/dbraw/zinc/15/20/41/381152041.db2.gz ZPBJBTWTGKMPCK-UKTHLTGXSA-N -1 3 295.367 3.422 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCC[C@@H](C(C)(C)C)C2)n1 ZINC000361547406 381797297 /nfs/dbraw/zinc/79/72/97/381797297.db2.gz FOTVFHGZVGXVQR-CHWSQXEVSA-N -1 3 277.412 3.310 20 0 CGADHM COc1cc(C(=O)N2CC[C@@]3(CC[C@@H](C)C3)C2)ccc1[O-] ZINC000334904590 207267309 /nfs/dbraw/zinc/26/73/09/207267309.db2.gz XTIUVOUAFHEYAE-SJKOYZFVSA-N -1 3 289.375 3.053 20 0 CGADHM CCc1[n-][nH]c(=NC(=O)c2cc(C)c(C)cc2Cl)c1C ZINC000334930532 207309751 /nfs/dbraw/zinc/30/97/51/207309751.db2.gz PLRPTDACHNYJQC-UHFFFAOYSA-N -1 3 291.782 3.225 20 0 CGADHM CCCC[C@@H](NC(=O)c1ccc2n[n-]nc2c1)C1CCC1 ZINC000362601986 382074610 /nfs/dbraw/zinc/07/46/10/382074610.db2.gz VYXPPCOWASDCFA-CYBMUJFWSA-N -1 3 286.379 3.047 20 0 CGADHM CC(C)([N-]C(=O)C(F)F)c1ccccc1Br ZINC000279923254 194627645 /nfs/dbraw/zinc/62/76/45/194627645.db2.gz QLQFUQIRVLAURH-UHFFFAOYSA-N -1 3 292.123 3.066 20 0 CGADHM COc1ccccc1[C@H](NCc1cc(C)cc(C)c1)C(=O)[O-] ZINC000426815606 533020471 /nfs/dbraw/zinc/02/04/71/533020471.db2.gz GJLZFIQTRXPZQT-KRWDZBQOSA-N -1 3 299.370 3.228 20 0 CGADHM O=C([O-])C1CCN([C@H]2CCc3c2cccc3Cl)CC1 ZINC000335405479 208385087 /nfs/dbraw/zinc/38/50/87/208385087.db2.gz FKRWQNCYCKIOGG-AWEZNQCLSA-N -1 3 279.767 3.124 20 0 CGADHM CCCc1nc(C(=O)[N-]c2c(F)cccc2F)co1 ZINC000353738994 220291805 /nfs/dbraw/zinc/29/18/05/220291805.db2.gz RNYWULDUFFAYRX-UHFFFAOYSA-N -1 3 266.247 3.158 20 0 CGADHM COc1ccccc1[C@H]([N-]C(=O)C(C)(F)F)c1ccco1 ZINC000289339084 197301691 /nfs/dbraw/zinc/30/16/91/197301691.db2.gz YYBNYKNKYFVYHL-ZDUSSCGKSA-N -1 3 295.285 3.149 20 0 CGADHM CCc1cc(=O)[n-]c(CS[C@H](C)c2cccnc2)n1 ZINC000289321517 197296602 /nfs/dbraw/zinc/29/66/02/197296602.db2.gz BPQWUSHWYHEHPH-SNVBAGLBSA-N -1 3 275.377 3.134 20 0 CGADHM C[C@H]1CN(C(=O)c2cc([O-])c3ccccc3c2)C[C@@H]1C ZINC000280506686 542382029 /nfs/dbraw/zinc/38/20/29/542382029.db2.gz WUSZFLPEXZSDOL-RYUDHWBXSA-N -1 3 269.344 3.273 20 0 CGADHM C[C@H]([N-]C(=O)C(C)(F)F)c1ccc(F)cc1Cl ZINC000289228406 197269557 /nfs/dbraw/zinc/26/95/57/197269557.db2.gz NPZZQQZJNWXJMU-LURJTMIESA-N -1 3 265.662 3.312 20 0 CGADHM Cc1cc(C(=O)Nc2cnc(C(C)(C)C)nc2)ccc1[O-] ZINC000353883778 220387613 /nfs/dbraw/zinc/38/76/13/220387613.db2.gz XEXOMTZILPJOJN-UHFFFAOYSA-N -1 3 285.347 3.040 20 0 CGADHM C[C@@H]1Oc2ccccc2[C@H]1NCc1cc([O-])cc(F)c1 ZINC000288715512 197150939 /nfs/dbraw/zinc/15/09/39/197150939.db2.gz ZNQWQZZOXHAKOX-QFYYESIMSA-N -1 3 273.307 3.143 20 0 CGADHM O=C(N=c1cc(-c2ccccc2)o[n-]1)c1occ2c1CCC2 ZINC000354107065 220554360 /nfs/dbraw/zinc/55/43/60/220554360.db2.gz IWJBIRRFKCDDFZ-UHFFFAOYSA-N -1 3 294.310 3.098 20 0 CGADHM Cc1ccc(F)cc1CN1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000318094172 542438498 /nfs/dbraw/zinc/43/84/98/542438498.db2.gz XWVMNUKFVQBEIK-QGZVFWFLSA-N -1 3 299.345 3.318 20 0 CGADHM O=C(c1cc([O-])ccc1C(F)(F)F)N1CCC=C(F)C1 ZINC000281337027 195201583 /nfs/dbraw/zinc/20/15/83/195201583.db2.gz VWCAPKZAHJLZGM-UHFFFAOYSA-N -1 3 289.228 3.110 20 0 CGADHM C[C@H]1CC[C@@H]1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000343953512 542502571 /nfs/dbraw/zinc/50/25/71/542502571.db2.gz KJSVCPAJYPZFQH-HZMBPMFUSA-N -1 3 255.317 3.074 20 0 CGADHM Cc1cccc(-c2nc([C@@H]3CCOC(C)(C)C3)no2)c1[O-] ZINC000351184753 542542406 /nfs/dbraw/zinc/54/24/06/542542406.db2.gz KUVJIBIBYCQMAB-LLVKDONJSA-N -1 3 288.347 3.423 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2cscc2Br)n1 ZINC000352040617 542552577 /nfs/dbraw/zinc/55/25/77/542552577.db2.gz QFVUIOKNWPDPMB-NSCUHMNNSA-N -1 3 297.177 3.485 20 0 CGADHM COCCC(C)(C)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000355804590 542568109 /nfs/dbraw/zinc/56/81/09/542568109.db2.gz LGVZXJPZGCEHMW-UHFFFAOYSA-N -1 3 287.359 3.090 20 0 CGADHM C[C@@H](NCc1ccc([O-])c(F)c1)c1ccsc1 ZINC000178526165 533447390 /nfs/dbraw/zinc/44/73/90/533447390.db2.gz BGCSTMNJGVQSSF-SECBINFHSA-N -1 3 251.326 3.444 20 0 CGADHM COc1cccc(CNC(=O)c2ccc(C(C)C)cc2[O-])c1 ZINC000436626130 533508811 /nfs/dbraw/zinc/50/88/11/533508811.db2.gz QDIFQMHDUJXMGW-UHFFFAOYSA-N -1 3 299.370 3.454 20 0 CGADHM COc1cccc(CN[C@H](CCC(=O)[O-])c2ccccc2)c1 ZINC000417600506 533517060 /nfs/dbraw/zinc/51/70/60/533517060.db2.gz JWGDGCLLIYXBMV-QGZVFWFLSA-N -1 3 299.370 3.391 20 0 CGADHM Cc1ccc(C(=O)Nc2ccc3nccnc3c2)c([O-])c1C ZINC000436564514 533611446 /nfs/dbraw/zinc/61/14/46/533611446.db2.gz PBUPSVGPTSHTEL-UHFFFAOYSA-N -1 3 293.326 3.205 20 0 CGADHM COc1cc(C)cc(C(=O)Nc2ccc(C)cc2)c1[O-] ZINC000436747284 533623619 /nfs/dbraw/zinc/62/36/19/533623619.db2.gz MQCTYZSNRBEJIN-UHFFFAOYSA-N -1 3 271.316 3.270 20 0 CGADHM O=C(NC[C@H]1CC=CCC1)c1cc([O-])ccc1C(F)(F)F ZINC000192939795 130564784 /nfs/dbraw/zinc/56/47/84/130564784.db2.gz PAYSTMHTVMMYKB-JTQLQIEISA-N -1 3 299.292 3.497 20 0 CGADHM Cc1ccc(NC(=O)c2ccc3n[n-]nc3c2)c(Cl)c1 ZINC000029107961 391956213 /nfs/dbraw/zinc/95/62/13/391956213.db2.gz VZSOCENZFOFYCE-UHFFFAOYSA-N -1 3 286.722 3.172 20 0 CGADHM CC[C@@H](NC(=O)c1cc(OC)ccc1[O-])c1ccccc1 ZINC000055463807 392099457 /nfs/dbraw/zinc/09/94/57/392099457.db2.gz VFIAYDNAJNBPRL-OAHLLOKOSA-N -1 3 285.343 3.282 20 0 CGADHM CC[C@@H]1CCC[C@@H](NC(=O)c2cc(OC)ccc2[O-])C1 ZINC000068604188 392167042 /nfs/dbraw/zinc/16/70/42/392167042.db2.gz IGFHMFWUQVAMDY-VXGBXAGGSA-N -1 3 277.364 3.099 20 0 CGADHM CCC1(C)CCN(C(=O)c2ccc(C)cc2[O-])CC1 ZINC000060942520 392124421 /nfs/dbraw/zinc/12/44/21/392124421.db2.gz DOEMFXWFPMRHIH-UHFFFAOYSA-N -1 3 261.365 3.353 20 0 CGADHM Cc1cc(NC(=O)c2cccc(C)c2[O-])ccc1F ZINC000061120433 392125998 /nfs/dbraw/zinc/12/59/98/392125998.db2.gz LXFQTSPAZKZBEF-UHFFFAOYSA-N -1 3 259.280 3.400 20 0 CGADHM Cc1cccc(C(=O)Nc2cc(F)c(F)cc2F)c1[O-] ZINC000061094618 392126108 /nfs/dbraw/zinc/12/61/08/392126108.db2.gz ILLNFNFJEITEJQ-UHFFFAOYSA-N -1 3 281.233 3.370 20 0 CGADHM Cc1ccc([O-])c(C(=O)N[C@@H](C)Cc2cccs2)c1 ZINC000070140832 392176973 /nfs/dbraw/zinc/17/69/73/392176973.db2.gz BGVMFBMVEQATJM-NSHDSACASA-N -1 3 275.373 3.123 20 0 CGADHM CC(=O)c1ccc(F)cc1[N-]C(=O)c1cc(C2CC2)no1 ZINC000282030065 392273582 /nfs/dbraw/zinc/27/35/82/392273582.db2.gz ZCRLGOJFUWLZMQ-UHFFFAOYSA-N -1 3 288.278 3.146 20 0 CGADHM CCc1nnc([N-]C(=O)c2occc2C(C)C)s1 ZINC000283253884 392301751 /nfs/dbraw/zinc/30/17/51/392301751.db2.gz BPCXDRSVGBBCQA-UHFFFAOYSA-N -1 3 265.338 3.069 20 0 CGADHM Cc1noc(C)c1C(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000286039019 392367056 /nfs/dbraw/zinc/36/70/56/392367056.db2.gz KJEWNQWKJIYKSG-VIFPVBQESA-N -1 3 286.331 3.151 20 0 CGADHM CC[C@@H](NC(=O)c1cc([O-])c2ccccc2c1)C(F)F ZINC000452264403 542677749 /nfs/dbraw/zinc/67/77/49/542677749.db2.gz MRTDTQWVRKRQGP-GFCCVEGCSA-N -1 3 279.286 3.319 20 0 CGADHM C[C@@H](NC(=O)c1cc([O-])c2ccccc2c1)C(C)(F)F ZINC000452457260 542678261 /nfs/dbraw/zinc/67/82/61/542678261.db2.gz MQEGXJLYUUZENN-SECBINFHSA-N -1 3 279.286 3.319 20 0 CGADHM C[C@H]([N-]c1nc2ccccc2o1)C(=O)N1CCCC[C@@H]1C ZINC000263747314 131321758 /nfs/dbraw/zinc/32/17/58/131321758.db2.gz DYXJHRSMTYGRSS-RYUDHWBXSA-N -1 3 287.363 3.029 20 0 CGADHM CC(C)CCNC(=O)c1cc([O-])c2ccccc2c1 ZINC000471558064 542701235 /nfs/dbraw/zinc/70/12/35/542701235.db2.gz DRDFKGLUHXPAJO-UHFFFAOYSA-N -1 3 257.333 3.321 20 0 CGADHM CCCCn1nccc1NC(=O)c1ccc([O-])c(CC)c1 ZINC000291533598 392465333 /nfs/dbraw/zinc/46/53/33/392465333.db2.gz NXGCXFJIJOQVGM-UHFFFAOYSA-N -1 3 287.363 3.204 20 0 CGADHM CCOc1ccc(NC(=O)[N-]OC[C@@H](C)CC)cc1 ZINC000291679760 392477740 /nfs/dbraw/zinc/47/77/40/392477740.db2.gz CDPREFQICWDXSN-NSHDSACASA-N -1 3 266.341 3.185 20 0 CGADHM O[C@H]1CCCC[C@@H]1[N-]c1nc(-c2cccc(Cl)c2)no1 ZINC000301398591 392588351 /nfs/dbraw/zinc/58/83/51/392588351.db2.gz HMZBDJKTRAPWSC-RYUDHWBXSA-N -1 3 293.754 3.105 20 0 CGADHM C[C@@H]1CCN(Cc2cccc([O-])c2Br)[C@@H]1C ZINC000315757069 392669738 /nfs/dbraw/zinc/66/97/38/392669738.db2.gz HMOXPGYZOHXEDP-NXEZZACHSA-N -1 3 284.197 3.385 20 0 CGADHM CC(=O)c1csc([N-]c2ncnc3scc(C)c32)n1 ZINC000505746715 392693736 /nfs/dbraw/zinc/69/37/36/392693736.db2.gz ZYKDYOWURUTFGG-UHFFFAOYSA-N -1 3 290.373 3.402 20 0 CGADHM O=C(Nc1cccc([O-])c1F)[C@H]1CCC(=O)c2ccccc21 ZINC000334361942 392724029 /nfs/dbraw/zinc/72/40/29/392724029.db2.gz JQWCSOSGXFZWHB-LBPRGKRZSA-N -1 3 299.301 3.230 20 0 CGADHM C[C@@H](c1ccc(F)cc1F)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000647368264 392710788 /nfs/dbraw/zinc/71/07/88/392710788.db2.gz OZIGWXBKBVYPIH-GBIKHYSHSA-N -1 3 283.318 3.068 20 0 CGADHM CC(C)c1cc(C(=O)N[C@@H]2CCOC2)c([O-])c(C(C)C)c1 ZINC000506185435 392715260 /nfs/dbraw/zinc/71/52/60/392715260.db2.gz AOTNFUYOLNVWJT-CYBMUJFWSA-N -1 3 291.391 3.158 20 0 CGADHM Cc1ccc([O-])c(C(=O)N[C@H](C)CCCc2cccnc2)c1 ZINC000457906785 392796680 /nfs/dbraw/zinc/79/66/80/392796680.db2.gz JSYZQNWKYWXJHS-CQSZACIVSA-N -1 3 298.386 3.237 20 0 CGADHM CCC[C@@H](CC)S(=O)(=O)[N-]c1ccc(C)cc1O ZINC000647920608 392834488 /nfs/dbraw/zinc/83/44/88/392834488.db2.gz VASVHFLCENFXOC-LLVKDONJSA-N -1 3 271.382 3.021 20 0 CGADHM Cc1c([O-])ccc2c(CN3CC4CCC3CC4)cc(=O)oc12 ZINC000378382618 392895972 /nfs/dbraw/zinc/89/59/72/392895972.db2.gz HFOAFEMTZVSXSF-UHFFFAOYSA-N -1 3 299.370 3.181 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N[C@H](C)c2ccccc2C)n1 ZINC000192722194 392859091 /nfs/dbraw/zinc/85/90/91/392859091.db2.gz WCQJECNVIWFSOJ-OLZOCXBDSA-N -1 3 271.364 3.211 20 0 CGADHM C[C@H](c1ccco1)N(C(=O)c1ccc(O)cc1[O-])C1CC1 ZINC000194485616 392924410 /nfs/dbraw/zinc/92/44/10/392924410.db2.gz AJCWAMIXCURVBI-SNVBAGLBSA-N -1 3 287.315 3.057 20 0 CGADHM Cc1ccc(C(=O)Nc2ccc3cc[nH]c3c2)c([O-])c1 ZINC000194818392 392939880 /nfs/dbraw/zinc/93/98/80/392939880.db2.gz OOMPHDIZISJUFS-UHFFFAOYSA-N -1 3 266.300 3.434 20 0 CGADHM [O-]c1cccnc1CNCc1ccc(C(F)F)cc1 ZINC000527241376 542741753 /nfs/dbraw/zinc/74/17/53/542741753.db2.gz BGHOYBKJHOIRPN-UHFFFAOYSA-N -1 3 264.275 3.015 20 0 CGADHM COC(C)(C)CN(C)C(=O)c1cc([O-])c2ccccc2c1 ZINC000527457788 542742465 /nfs/dbraw/zinc/74/24/65/542742465.db2.gz GFSAWOWFXHUCME-UHFFFAOYSA-N -1 3 287.359 3.042 20 0 CGADHM Cc1cccc(C(=O)NCCO[C@H]2CCCC[C@@H]2C)c1[O-] ZINC000195594309 392971536 /nfs/dbraw/zinc/97/15/36/392971536.db2.gz QHDCKAWKZXUIJE-WFASDCNBSA-N -1 3 291.391 3.026 20 0 CGADHM O=C(CC1CC(c2ccccc2)C1)Nc1ncccc1[O-] ZINC000545992505 393023688 /nfs/dbraw/zinc/02/36/88/393023688.db2.gz ATECLORDXBHBRJ-UHFFFAOYSA-N -1 3 282.343 3.310 20 0 CGADHM CCc1cccc(C(=O)NCCC[C@H]2CCCCO2)c1[O-] ZINC000546214626 393039561 /nfs/dbraw/zinc/03/95/61/393039561.db2.gz KRZOHBJXIUJCLY-CQSZACIVSA-N -1 3 291.391 3.034 20 0 CGADHM C[C@H](NC(=O)/C=C\c1cncc([O-])c1)[C@@H](C)c1ccccc1 ZINC000255774281 393134648 /nfs/dbraw/zinc/13/46/48/393134648.db2.gz NXLYCRIRLDRBAP-OZMYFSDFSA-N -1 3 296.370 3.109 20 0 CGADHM CCSc1cccc(F)c1[N-]C(=O)c1nn(C)cc1C ZINC000415714203 393182007 /nfs/dbraw/zinc/18/20/07/393182007.db2.gz VPMRZNBESVQPEY-UHFFFAOYSA-N -1 3 293.367 3.232 20 0 CGADHM O=C([O-])c1ccc(CN2CC(C3CCCCC3)C2)cc1 ZINC000263428525 393150224 /nfs/dbraw/zinc/15/02/24/393150224.db2.gz RKEZNBWTUCUBIX-UHFFFAOYSA-N -1 3 273.376 3.397 20 0 CGADHM O=C(Nc1cccc2cc[nH]c21)c1cc(-c2ccco2)[n-]n1 ZINC000547818041 393151954 /nfs/dbraw/zinc/15/19/54/393151954.db2.gz NTQZEMHIZHTDFR-UHFFFAOYSA-N -1 3 292.298 3.403 20 0 CGADHM O=C(Nc1cccc2cc[nH]c21)c1cc(-c2ccco2)n[n-]1 ZINC000547818041 393151960 /nfs/dbraw/zinc/15/19/60/393151960.db2.gz NTQZEMHIZHTDFR-UHFFFAOYSA-N -1 3 292.298 3.403 20 0 CGADHM [O-]c1cccc(CN2CCC([C@@H]3CCOC3)CC2)c1Cl ZINC000646158507 393232851 /nfs/dbraw/zinc/23/28/51/393232851.db2.gz OQNTXVUCCLYCCA-CQSZACIVSA-N -1 3 295.810 3.294 20 0 CGADHM CCCC(C)(C)NC(=O)c1ccc2[n-]c(OCC)nc2c1 ZINC000469639924 393203701 /nfs/dbraw/zinc/20/37/01/393203701.db2.gz CWVUREPVOOTPSW-UHFFFAOYSA-N -1 3 289.379 3.270 20 0 CGADHM CCCC(C)(C)NC(=O)c1ccc2nc(OCC)[n-]c2c1 ZINC000469639924 393203705 /nfs/dbraw/zinc/20/37/05/393203705.db2.gz CWVUREPVOOTPSW-UHFFFAOYSA-N -1 3 289.379 3.270 20 0 CGADHM Cc1cc(C)c(CNCc2ncccc2[O-])cc1C ZINC000355284800 393291191 /nfs/dbraw/zinc/29/11/91/393291191.db2.gz DHDCIFXSRHHADW-UHFFFAOYSA-N -1 3 256.349 3.002 20 0 CGADHM CCCC[C@H](CC)CNC(=O)c1ccc2[nH][n-]c(=O)c2c1 ZINC000646634042 393309970 /nfs/dbraw/zinc/30/99/70/393309970.db2.gz SYERPJRZAVZVJC-NSHDSACASA-N -1 3 289.379 3.215 20 0 CGADHM CN(CCC(C)(C)C)C(=O)c1c[n-]c2ccccc2c1=O ZINC000649026694 393324462 /nfs/dbraw/zinc/32/44/62/393324462.db2.gz AOZHEEZBKHZBGN-UHFFFAOYSA-N -1 3 286.375 3.036 20 0 CGADHM Cc1ccc2[n-]cc(C(=O)N3CCC(C)(C)C3)c(=O)c2c1 ZINC000273271499 393274027 /nfs/dbraw/zinc/27/40/27/393274027.db2.gz VBPZLQOCOYHDGL-UHFFFAOYSA-N -1 3 284.359 3.121 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)C1(c2ccccc2)CCC1 ZINC000649233527 393380833 /nfs/dbraw/zinc/38/08/33/393380833.db2.gz RRQFYYBBVWWKPT-UHFFFAOYSA-N -1 3 297.402 3.324 20 0 CGADHM Cc1nc(CC(C)C)oc1C(=O)Nc1ccc([O-])cc1F ZINC000356214641 393384464 /nfs/dbraw/zinc/38/44/64/393384464.db2.gz IIQMBDQHSRCTTI-UHFFFAOYSA-N -1 3 292.310 3.279 20 0 CGADHM CC(C)(C)c1ccc(CNCc2ncccc2[O-])s1 ZINC000475338313 393394472 /nfs/dbraw/zinc/39/44/72/393394472.db2.gz NGWFTLUSKDTISJ-UHFFFAOYSA-N -1 3 276.405 3.436 20 0 CGADHM CC[C@@H](NC(=O)c1csc(=O)[n-]1)c1csc(C)c1 ZINC000649162285 393362471 /nfs/dbraw/zinc/36/24/71/393362471.db2.gz NEOCKYUECGYFNZ-SECBINFHSA-N -1 3 282.390 3.100 20 0 CGADHM COc1cc(C(=O)N2CCCC[C@@H]2C2CCC2)ccc1[O-] ZINC000649196848 393371412 /nfs/dbraw/zinc/37/14/12/393371412.db2.gz YGFODIOQEBMVQO-CQSZACIVSA-N -1 3 289.375 3.196 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@@H](C)c1ccccc1F ZINC000649231692 393378925 /nfs/dbraw/zinc/37/89/25/393378925.db2.gz CGNRIQMGZXFTQG-JTQLQIEISA-N -1 3 289.354 3.145 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)c1cccc(Cl)c1F ZINC000649231165 393379254 /nfs/dbraw/zinc/37/92/54/393379254.db2.gz JZUPHJIEFCUVDH-UHFFFAOYSA-N -1 3 295.745 3.308 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)c1cc(Cl)ccc1F ZINC000649233342 393380494 /nfs/dbraw/zinc/38/04/94/393380494.db2.gz JZLPNYYJULRKBK-UHFFFAOYSA-N -1 3 295.745 3.308 20 0 CGADHM Cc1nc2ccccc2c(N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)c1C ZINC000649404267 393412844 /nfs/dbraw/zinc/41/28/44/393412844.db2.gz FJZGYNSIIYAQNO-SMDDNHRTSA-N -1 3 298.386 3.399 20 0 CGADHM [O-]c1cc(F)cc(CN2CC3(CCC3)[C@@H]2C2CC2)c1 ZINC000356299031 393414066 /nfs/dbraw/zinc/41/40/66/393414066.db2.gz QJWRGIHCBZBVLO-HNNXBMFYSA-N -1 3 261.340 3.296 20 0 CGADHM Cc1ccc(CNC[C@@H](CC2CC2)C(=O)[O-])c(Cl)c1 ZINC000649510402 393463058 /nfs/dbraw/zinc/46/30/58/393463058.db2.gz CCSIZBRLBIOMDD-CYBMUJFWSA-N -1 3 281.783 3.239 20 0 CGADHM CC[C@](C)([N-]S(=O)(=O)c1cccc(C)c1)C(F)(F)F ZINC000548146660 288993074 /nfs/dbraw/zinc/99/30/74/288993074.db2.gz SSXWTIOLGRLGJC-NSHDSACASA-N -1 3 295.326 3.004 20 0 CGADHM CC(C)(C)CCS(=O)(=O)[N-]c1cc(F)cc(F)c1 ZINC000360510886 393569302 /nfs/dbraw/zinc/56/93/02/393569302.db2.gz IYQICLCVTUWLRE-UHFFFAOYSA-N -1 3 277.336 3.143 20 0 CGADHM Cc1noc([N-]C(=O)COC[C@@H](C)c2ccccc2)c1C ZINC000649774011 393581921 /nfs/dbraw/zinc/58/19/21/393581921.db2.gz OKDCHYFWZUVRJV-LLVKDONJSA-N -1 3 288.347 3.050 20 0 CGADHM Cc1ccc(/C=C\C(=O)Nc2ccc(C)cc2[O-])nc1 ZINC000492502870 393745993 /nfs/dbraw/zinc/74/59/93/393745993.db2.gz PIVVYJMBFPWJDY-VURMDHGXSA-N -1 3 268.316 3.056 20 0 CGADHM COc1cc(C(=O)NCCCCC2CCCC2)ccc1[O-] ZINC000443270952 393750715 /nfs/dbraw/zinc/75/07/15/393750715.db2.gz DWJZRBJJMVPGMG-UHFFFAOYSA-N -1 3 291.391 3.491 20 0 CGADHM COc1cc(C(=O)NCC(C)(C)CC(C)C)ccc1[O-] ZINC000443292200 393751121 /nfs/dbraw/zinc/75/11/21/393751121.db2.gz BZKVJUPBSWXVDH-UHFFFAOYSA-N -1 3 279.380 3.203 20 0 CGADHM O=C(/C=C\c1ccncc1)Nc1cc(Cl)ccc1[O-] ZINC000492269390 393712377 /nfs/dbraw/zinc/71/23/77/393712377.db2.gz OLQMHJWAJCLHCM-RJRFIUFISA-N -1 3 274.707 3.093 20 0 CGADHM C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1[O-])C1CC1 ZINC000443559485 393764035 /nfs/dbraw/zinc/76/40/35/393764035.db2.gz OFXUHRSBIUDILK-SSDOTTSWSA-N -1 3 289.253 3.275 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])c1ccccc1OC1CC1 ZINC000499992812 393813061 /nfs/dbraw/zinc/81/30/61/393813061.db2.gz QEJZURZTUDXXKL-UHFFFAOYSA-N -1 3 287.290 3.325 20 0 CGADHM CCc1cc(C(=O)N2CC3(C2)CCCCC3)ccc1[O-] ZINC000503212960 393894873 /nfs/dbraw/zinc/89/48/73/393894873.db2.gz YRXOCYHYAMVGBR-UHFFFAOYSA-N -1 3 273.376 3.361 20 0 CGADHM Cc1ccc([O-])c(CN[C@@H]2CCCN(C)c3ccccc32)n1 ZINC000449647809 393933573 /nfs/dbraw/zinc/93/35/73/393933573.db2.gz FFDQIOORKARKBX-OAHLLOKOSA-N -1 3 297.402 3.157 20 0 CGADHM O=C([N-][C@H](c1ccc(F)cc1)C(F)(F)F)[C@@H]1CC1(F)F ZINC000449932997 393947134 /nfs/dbraw/zinc/94/71/34/393947134.db2.gz YEPIZDMOTAVCHK-DTWKUNHWSA-N -1 3 297.198 3.201 20 0 CGADHM CC[C@H]1CCC[C@@H]1C(=O)Nc1cc(F)ccc1[O-] ZINC000450040316 393967838 /nfs/dbraw/zinc/96/78/38/393967838.db2.gz FROMZJQAJBSIFC-ONGXEEELSA-N -1 3 251.301 3.296 20 0 CGADHM CC(C)C[C@H]1CCCN(C(=O)Cc2ccc([O-])c(F)c2)C1 ZINC000450114021 393981360 /nfs/dbraw/zinc/98/13/60/393981360.db2.gz MGNYXHIAMRYDAM-CQSZACIVSA-N -1 3 293.382 3.359 20 0 CGADHM C[C@@H]1CC[C@@]2(CCN(C(=O)Cc3ccc([O-])c(F)c3)C2)C1 ZINC000450526960 394010854 /nfs/dbraw/zinc/01/08/54/394010854.db2.gz XCDYHNPREWIFPT-SJKOYZFVSA-N -1 3 291.366 3.113 20 0 CGADHM CCC1CN(C(=O)CCc2ccc3ccccc3c2[O-])C1 ZINC000457274043 394340143 /nfs/dbraw/zinc/34/01/43/394340143.db2.gz JRVJSNAWFMXCKX-UHFFFAOYSA-N -1 3 283.371 3.346 20 0 CGADHM Cc1ccc(C(=O)N2C[C@@H](C)CC(C)(C)C2)c([O-])c1 ZINC000436839664 292066068 /nfs/dbraw/zinc/06/60/68/292066068.db2.gz UNTWMEPPHFOKSR-LBPRGKRZSA-N -1 3 261.365 3.209 20 0 CGADHM O=C([N-]c1cnoc1)c1cnccc1Oc1ccccc1 ZINC000669647661 543113697 /nfs/dbraw/zinc/11/36/97/543113697.db2.gz BOEDRJBQBLKKOY-UHFFFAOYSA-N -1 3 281.271 3.114 20 0 CGADHM Cc1cc(C(=O)Nc2cccc([O-])c2F)cs1 ZINC000671786184 543190519 /nfs/dbraw/zinc/19/05/19/543190519.db2.gz INRSWQAEMHNLIO-UHFFFAOYSA-N -1 3 251.282 3.154 20 0 CGADHM CCC1CCC(CNC(=O)c2cccc([O-])c2)CC1 ZINC000045010713 397621829 /nfs/dbraw/zinc/62/18/29/397621829.db2.gz PXGYZIDKUDGHRE-UHFFFAOYSA-N -1 3 261.365 3.338 20 0 CGADHM C[C@@H](C(=O)[O-])C1(NCc2cc(Cl)ccc2Cl)CC1 ZINC000649509682 397715643 /nfs/dbraw/zinc/71/56/43/397715643.db2.gz DHSAOOYJOSVINC-QMMMGPOBSA-N -1 3 288.174 3.336 20 0 CGADHM COc1cc(Cl)ccc1CN1CCCC[C@H]1CC(=O)[O-] ZINC000650507039 397860886 /nfs/dbraw/zinc/86/08/86/397860886.db2.gz CKGYPCMIQMQHPW-ZDUSSCGKSA-N -1 3 297.782 3.178 20 0 CGADHM CCc1cccc(Cl)c1CN(CC(=O)[O-])CC1CC1 ZINC000650798537 397921996 /nfs/dbraw/zinc/92/19/96/397921996.db2.gz ATTICXUNCHZVMT-UHFFFAOYSA-N -1 3 281.783 3.199 20 0 CGADHM C[C@@](CNCc1ccc(Cl)o1)(C(=O)[O-])c1ccccc1 ZINC000650800458 397923198 /nfs/dbraw/zinc/92/31/98/397923198.db2.gz ZVJGGCVLKOVGMM-HNNXBMFYSA-N -1 3 293.750 3.065 20 0 CGADHM O=C([N-]c1ncc(Cl)s1)c1c(F)cc(F)cc1F ZINC000674929029 543307816 /nfs/dbraw/zinc/30/78/16/543307816.db2.gz LFHXLZAVTHLLMB-UHFFFAOYSA-N -1 3 292.669 3.466 20 0 CGADHM c1cc2ncnc([N-]c3nc4c(s3)CCCC4)c2cn1 ZINC000677001427 543425930 /nfs/dbraw/zinc/42/59/30/543425930.db2.gz OYJXPUMLQMTFEQ-UHFFFAOYSA-N -1 3 283.360 3.104 20 0 CGADHM Cc1ccc([O-])c(NC(=O)[C@@H]2CCCc3sccc32)n1 ZINC000331864244 292165593 /nfs/dbraw/zinc/16/55/93/292165593.db2.gz SHDMEJDZBKISEY-LLVKDONJSA-N -1 3 288.372 3.216 20 0 CGADHM COc1cccc2c1CCCN2C(=O)c1cccc(C)c1[O-] ZINC000436984950 286474052 /nfs/dbraw/zinc/47/40/52/286474052.db2.gz CCFYTTKMWAZSQB-UHFFFAOYSA-N -1 3 297.354 3.302 20 0 CGADHM COc1ccc(C(=O)NCCC2CCCCC2)c([O-])c1 ZINC000037500445 286885692 /nfs/dbraw/zinc/88/56/92/286885692.db2.gz RTULGBZQRJUWSI-UHFFFAOYSA-N -1 3 277.364 3.101 20 0 CGADHM Cc1ccc(C(=O)NC2CCCCCC2)c([O-])c1C ZINC000048517676 286906836 /nfs/dbraw/zinc/90/68/36/286906836.db2.gz DPSNKFUPCHESDK-UHFFFAOYSA-N -1 3 261.365 3.462 20 0 CGADHM COc1ccc([O-])c(C(=O)Nc2ccc(C)c(F)c2)c1 ZINC000050279493 286931323 /nfs/dbraw/zinc/93/13/23/286931323.db2.gz XDSUDWUDAAOXQH-UHFFFAOYSA-N -1 3 275.279 3.101 20 0 CGADHM Cc1cccc(C(=O)N(C)CCCOc2ccccc2)c1[O-] ZINC000078686958 287050931 /nfs/dbraw/zinc/05/09/31/287050931.db2.gz XPDDVYRYINPGPP-UHFFFAOYSA-N -1 3 299.370 3.242 20 0 CGADHM Cc1ccc(C[C@H](C)NC(=O)c2cccc([O-])c2)s1 ZINC000080247418 165154134 /nfs/dbraw/zinc/15/41/34/165154134.db2.gz PRQJFAKMROUQNI-JTQLQIEISA-N -1 3 275.373 3.123 20 0 CGADHM CCCc1nnc([N-]C(=O)c2scnc2C2CC2)s1 ZINC000089678414 165212355 /nfs/dbraw/zinc/21/23/55/165212355.db2.gz NFQJGUPRFWXRNI-UHFFFAOYSA-N -1 3 294.405 3.077 20 0 CGADHM Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)c1ccc(C)cc1[O-] ZINC000091079965 165255993 /nfs/dbraw/zinc/25/59/93/165255993.db2.gz GMNQQTVKAIKOCR-AWEZNQCLSA-N -1 3 299.374 3.018 20 0 CGADHM COc1ccc(Cl)c(NCc2nc(C)ccc2[O-])c1 ZINC000091995116 165276305 /nfs/dbraw/zinc/27/63/05/165276305.db2.gz LWSMWYRSYWDMNF-UHFFFAOYSA-N -1 3 278.739 3.370 20 0 CGADHM Cc1ccc([O-])c(CNc2ccccc2OC(F)F)n1 ZINC000091993534 165276900 /nfs/dbraw/zinc/27/69/00/165276900.db2.gz LDZFIQZJKOSCSM-UHFFFAOYSA-N -1 3 280.274 3.309 20 0 CGADHM COc1ccc(CN(C)Cc2nc(C)ccc2[O-])cc1C ZINC000092787076 165310481 /nfs/dbraw/zinc/31/04/81/165310481.db2.gz UDPDYWNHRCPJLD-UHFFFAOYSA-N -1 3 286.375 3.045 20 0 CGADHM O=C([O-])[C@@H](NCc1ccc(C2CC2)cc1)c1ccccc1 ZINC000094519632 165351962 /nfs/dbraw/zinc/35/19/62/165351962.db2.gz GEKRRAIGJUDLED-KRWDZBQOSA-N -1 3 281.355 3.480 20 0 CGADHM COc1ccccc1[C@@H]1CCCN1C(=O)c1cccc([O-])c1 ZINC000182321191 165701169 /nfs/dbraw/zinc/70/11/69/165701169.db2.gz MAHMRUVBAVANSG-INIZCTEOSA-N -1 3 297.354 3.378 20 0 CGADHM Cc1ccc(-c2nc(-c3ccc(O)cc3)no2)c([O-])c1 ZINC000111687311 287136043 /nfs/dbraw/zinc/13/60/43/287136043.db2.gz VFBGMTSYPYVEMT-UHFFFAOYSA-N -1 3 268.272 3.123 20 0 CGADHM C[C@@H](c1ccccc1Cl)N1CCC[C@H](C(=O)[O-])C1 ZINC000006929924 287149688 /nfs/dbraw/zinc/14/96/88/287149688.db2.gz ATRCVRPLNXNHJD-QWRGUYRKSA-N -1 3 267.756 3.198 20 0 CGADHM CCN(C(=O)c1cccc(C)c1[O-])[C@@H](C)c1cccnc1 ZINC000115223075 287153367 /nfs/dbraw/zinc/15/33/67/287153367.db2.gz HHMNQBOPEITVMN-ZDUSSCGKSA-N -1 3 284.359 3.319 20 0 CGADHM Cc1ccc(NC(=O)/C=C/c2ccc(Cl)nc2)c([O-])c1 ZINC000122609973 287211348 /nfs/dbraw/zinc/21/13/48/287211348.db2.gz ARPCKVVVESOGHN-QPJJXVBHSA-N -1 3 288.734 3.401 20 0 CGADHM FCCCCCSc1n[n-]c(-c2ccccn2)n1 ZINC000284231180 196007823 /nfs/dbraw/zinc/00/78/23/196007823.db2.gz NBHGCRFSXJEKDU-UHFFFAOYSA-N -1 3 266.345 3.099 20 0 CGADHM Cc1ccccc1[N-]S(=O)(=O)c1ccccc1C ZINC000005260205 170080950 /nfs/dbraw/zinc/08/09/50/170080950.db2.gz QTFNHUWIPCZHPH-UHFFFAOYSA-N -1 3 261.346 3.104 20 0 CGADHM CCN(CCc1ccccc1)C(=O)c1ccc(OC)cc1[O-] ZINC000124411465 287233037 /nfs/dbraw/zinc/23/30/37/287233037.db2.gz DBVGCEVVQPSUBC-UHFFFAOYSA-N -1 3 299.370 3.106 20 0 CGADHM COc1cccc(C(=O)Nc2ccc(F)c(Cl)c2)c1[O-] ZINC000020304373 171141348 /nfs/dbraw/zinc/14/13/48/171141348.db2.gz QKHVXSWOLBYGDU-UHFFFAOYSA-N -1 3 295.697 3.446 20 0 CGADHM COc1cccc(C(=O)Nc2cc(C)ccc2F)c1[O-] ZINC000020363084 171162200 /nfs/dbraw/zinc/16/22/00/171162200.db2.gz QDDSTKCPCDWKPL-UHFFFAOYSA-N -1 3 275.279 3.101 20 0 CGADHM Cc1ccc(C(=O)N2CCC[C@H]3CCCC[C@@H]32)c([O-])c1 ZINC000035219409 172059839 /nfs/dbraw/zinc/05/98/39/172059839.db2.gz LRMYHDFGMRDLGQ-HIFRSBDPSA-N -1 3 273.376 3.495 20 0 CGADHM CC(C)Cc1cccc([C@@H](C)C(=O)[N-]C2=NCCS2)c1 ZINC000285070655 196190296 /nfs/dbraw/zinc/19/02/96/196190296.db2.gz RKWMJFQWNZDHCR-GFCCVEGCSA-N -1 3 290.432 3.208 20 0 CGADHM CC(C)(C)c1nc(CNC2CCC(C(=O)[O-])CC2)cs1 ZINC000037562042 173272232 /nfs/dbraw/zinc/27/22/32/173272232.db2.gz BOIJVORNQSTYPY-UHFFFAOYSA-N -1 3 296.436 3.174 20 0 CGADHM O=C([C@H]1C[C@@H]1c1ccccc1)N1CCCc2cccc([O-])c21 ZINC000128192515 287305435 /nfs/dbraw/zinc/30/54/35/287305435.db2.gz FCQGTRKEFPGBJG-CVEARBPZSA-N -1 3 293.366 3.475 20 0 CGADHM CCc1ccc(OCC(=O)Nc2cccc([O-])c2F)cc1 ZINC000128325360 287308681 /nfs/dbraw/zinc/30/86/81/287308681.db2.gz KQLHNKSGFOXLQG-UHFFFAOYSA-N -1 3 289.306 3.111 20 0 CGADHM Cc1ccc(OCC(=O)Nc2cccc([O-])c2F)c(C)c1 ZINC000128267729 287307161 /nfs/dbraw/zinc/30/71/61/287307161.db2.gz OTOLSOCDKSBEQN-UHFFFAOYSA-N -1 3 289.306 3.166 20 0 CGADHM CO[C@](C)(C(=O)Nc1cccc([O-])c1F)c1ccccc1 ZINC000128410052 287310213 /nfs/dbraw/zinc/31/02/13/287310213.db2.gz BXXQQLVLHKESGF-INIZCTEOSA-N -1 3 289.306 3.032 20 0 CGADHM C[C@H]1CCCC[C@H]1OCC(=O)Nc1cccc([O-])c1F ZINC000128658399 287315694 /nfs/dbraw/zinc/31/56/94/287315694.db2.gz WFZGAKWSPWTPPT-GXFFZTMASA-N -1 3 281.327 3.065 20 0 CGADHM Cc1noc(C)c1[C@@H](C)CC(=O)Nc1cccc([O-])c1F ZINC000128699894 287316643 /nfs/dbraw/zinc/31/66/43/287316643.db2.gz DOVDOGWESKPZAO-QMMMGPOBSA-N -1 3 292.310 3.268 20 0 CGADHM C[C@@H]1CCCC[C@]1(C)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000335093316 287320544 /nfs/dbraw/zinc/32/05/44/287320544.db2.gz WRKVAGSUCNOQIQ-XIKOKIGWSA-N -1 3 298.386 3.227 20 0 CGADHM COc1ccccc1/C=C/C(=O)Nc1cccc([O-])c1F ZINC000129211955 287327036 /nfs/dbraw/zinc/32/70/36/287327036.db2.gz WLCADQSORQNAHL-MDZDMXLPSA-N -1 3 287.290 3.192 20 0 CGADHM C[C@H]1CCC[C@H](OCC(=O)Nc2cccc([O-])c2F)C1 ZINC000129355156 287329383 /nfs/dbraw/zinc/32/93/83/287329383.db2.gz KTQIWBCZEDLYGV-QWRGUYRKSA-N -1 3 281.327 3.065 20 0 CGADHM Cc1cc(C(=O)[N-]c2cc(-c3ccccc3)ns2)on1 ZINC000078792201 177388932 /nfs/dbraw/zinc/38/89/32/177388932.db2.gz RAIMPOQDGIAKMS-UHFFFAOYSA-N -1 3 285.328 3.359 20 0 CGADHM O=C(/C=C/c1cncc(F)c1)Nc1cc(Cl)ccc1[O-] ZINC000129464066 287332481 /nfs/dbraw/zinc/33/24/81/287332481.db2.gz PBOLOFSYKCMGLW-DAFODLJHSA-N -1 3 292.697 3.232 20 0 CGADHM C[C@@H]1CN(C(=O)c2cccc([O-])c2)CCc2ccccc21 ZINC000404763567 416557343 /nfs/dbraw/zinc/55/73/43/416557343.db2.gz DXKRNMZMDNWLJU-CYBMUJFWSA-N -1 3 281.355 3.194 20 0 CGADHM Cc1cc(NC(=O)c2c[n-]nc2-c2ccccc2)sn1 ZINC000130043727 287344039 /nfs/dbraw/zinc/34/40/39/287344039.db2.gz SQZZKTIFKQSGNR-UHFFFAOYSA-N -1 3 284.344 3.094 20 0 CGADHM Cc1cc(C(=O)N[C@@H]2C[C@@]2(C)c2ccccc2)ccc1[O-] ZINC000679411149 543635963 /nfs/dbraw/zinc/63/59/63/543635963.db2.gz WXJLBPQYZRZYMU-AEFFLSMTSA-N -1 3 281.355 3.161 20 0 CGADHM Cc1cccc([O-])c1NC(=O)c1cc2ccsc2[nH]1 ZINC000679320521 543616344 /nfs/dbraw/zinc/61/63/44/543616344.db2.gz QGVOFEPKURPSPQ-UHFFFAOYSA-N -1 3 272.329 3.496 20 0 CGADHM CC(=O)C(C)(C)CCC(=O)N1CCCc2cccc([O-])c21 ZINC000679319394 543616747 /nfs/dbraw/zinc/61/67/47/543616747.db2.gz YPDGFJNEVTZPSW-UHFFFAOYSA-N -1 3 289.375 3.067 20 0 CGADHM O=C([N-]c1ncc(C2CCCCC2)s1)c1cnco1 ZINC000679909777 543667368 /nfs/dbraw/zinc/66/73/68/543667368.db2.gz AQVFWVDQUHIPEP-UHFFFAOYSA-N -1 3 277.349 3.431 20 0 CGADHM CC(C)COc1ncc(C(=O)[N-]c2cnoc2)cc1Cl ZINC000679983025 543672087 /nfs/dbraw/zinc/67/20/87/543672087.db2.gz JHNXEHXEVNJFHY-UHFFFAOYSA-N -1 3 295.726 3.010 20 0 CGADHM CCc1cccc(C(=O)N2CC3(C2)CCCCC3)c1[O-] ZINC000680648765 543722420 /nfs/dbraw/zinc/72/24/20/543722420.db2.gz RLQIMGSRXNPJPJ-UHFFFAOYSA-N -1 3 273.376 3.361 20 0 CGADHM O=C([N-]c1ccc(F)c(F)c1F)c1coc(C2CC2)n1 ZINC000680835562 543738192 /nfs/dbraw/zinc/73/81/92/543738192.db2.gz DLDQMFWUBRVQBB-UHFFFAOYSA-N -1 3 282.221 3.222 20 0 CGADHM CC1(C)C[C@H]1NC(=O)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000681715959 543804350 /nfs/dbraw/zinc/80/43/50/543804350.db2.gz DRPMQLPYZFWKQF-SECBINFHSA-N -1 3 295.795 3.320 20 0 CGADHM O=C(Nc1ccc(C2CC2)cc1)c1cccc2nn[n-]c21 ZINC000682166473 543833492 /nfs/dbraw/zinc/83/34/92/543833492.db2.gz COSIZCQNRRHZAL-UHFFFAOYSA-N -1 3 278.315 3.088 20 0 CGADHM O=C(Nc1ccc(C2CC2)cc1)c1cccc2[n-]nnc21 ZINC000682166473 543833497 /nfs/dbraw/zinc/83/34/97/543833497.db2.gz COSIZCQNRRHZAL-UHFFFAOYSA-N -1 3 278.315 3.088 20 0 CGADHM O=C(Nc1ccc(C2CC2)cc1)c1cccc2n[n-]nc21 ZINC000682166473 543833500 /nfs/dbraw/zinc/83/35/00/543833500.db2.gz COSIZCQNRRHZAL-UHFFFAOYSA-N -1 3 278.315 3.088 20 0 CGADHM CCC(=O)Nc1ccc(NC(=O)c2cccc(C)c2[O-])cc1 ZINC000131304956 287375500 /nfs/dbraw/zinc/37/55/00/287375500.db2.gz JWWRKCLMDAJKBD-UHFFFAOYSA-N -1 3 298.342 3.301 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N2CC[C@H]2c2cccc(F)c2)n1 ZINC000684092778 543965909 /nfs/dbraw/zinc/96/59/09/543965909.db2.gz BCDSSONPCMTBPW-FZMZJTMJSA-N -1 3 287.338 3.138 20 0 CGADHM O=C(c1ccc2c(c1[O-])CCCC2)N1CCC(F)(F)CC1 ZINC000684517983 544010901 /nfs/dbraw/zinc/01/09/01/544010901.db2.gz JPHPHPIGJNFTTE-UHFFFAOYSA-N -1 3 295.329 3.142 20 0 CGADHM CC[C@@]1(C)CCCN(Cc2ccc(C(=O)[O-])s2)C1 ZINC000652416635 418965212 /nfs/dbraw/zinc/96/52/12/418965212.db2.gz XWTKQDRXESAVBW-AWEZNQCLSA-N -1 3 267.394 3.458 20 0 CGADHM CN(Cc1cccc(Cl)c1Cl)[C@H](C(=O)[O-])C1CC1 ZINC000652373327 418957853 /nfs/dbraw/zinc/95/78/53/418957853.db2.gz PSXCLWDBTQKTLN-LBPRGKRZSA-N -1 3 288.174 3.288 20 0 CGADHM CCc1ccc([O-])c(C(=O)N(CC)[C@H](C)C(C)C)c1 ZINC000655090641 419021359 /nfs/dbraw/zinc/02/13/59/419021359.db2.gz TVPBCOVACVVQHF-GFCCVEGCSA-N -1 3 263.381 3.461 20 0 CGADHM CCc1cccc(C(=O)N2Cc3ccc(OC)cc3C2)c1[O-] ZINC000655317672 419037993 /nfs/dbraw/zinc/03/79/93/419037993.db2.gz PUMSCKCQPDWOOZ-UHFFFAOYSA-N -1 3 297.354 3.119 20 0 CGADHM O=C(c1csc(=O)[n-]1)N1CCC[C@@H]1CC1CCCC1 ZINC000655364060 419043242 /nfs/dbraw/zinc/04/32/42/419043242.db2.gz YHVNOCXDZYLIQV-LLVKDONJSA-N -1 3 280.393 3.034 20 0 CGADHM Cc1c2cccc(C)c2oc1CN(C)[C@H](C(=O)[O-])C1CC1 ZINC000652511220 418978358 /nfs/dbraw/zinc/97/83/58/418978358.db2.gz RMLSQSQEFDGIPT-HNNXBMFYSA-N -1 3 287.359 3.345 20 0 CGADHM Cc1oc(C(=O)[O-])cc1CN1CCC[C@H](C2CCC2)C1 ZINC000659800867 418994753 /nfs/dbraw/zinc/99/47/53/418994753.db2.gz CAAXXGGRPKOHNS-ZDUSSCGKSA-N -1 3 277.364 3.298 20 0 CGADHM CCc1cccc(C(=O)N2CCC3(CC3(F)F)CC2)c1[O-] ZINC000652844778 418995348 /nfs/dbraw/zinc/99/53/48/418995348.db2.gz UXGCVODPLFSCMT-UHFFFAOYSA-N -1 3 295.329 3.216 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)N2CC(C)(C)[C@@H]2c2cccnc2)n1 ZINC000664820506 419009495 /nfs/dbraw/zinc/00/94/95/419009495.db2.gz ABFMRIHWIKMGBZ-DOMZBBRYSA-N -1 3 298.390 3.030 20 0 CGADHM C[C@H](c1ccc(C(=O)[O-])o1)N1CCC[C@@H](OC2CCC2)C1 ZINC000656191873 419147036 /nfs/dbraw/zinc/14/70/36/419147036.db2.gz SJKWYITVAYPBTN-DGCLKSJQSA-N -1 3 293.363 3.072 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)Sc2ccc3c(c2)CCO3)n1 ZINC000665687539 419151507 /nfs/dbraw/zinc/15/15/07/419151507.db2.gz VZDHSWDXJIMARG-SNVBAGLBSA-N -1 3 288.372 3.279 20 0 CGADHM CCC[C@@H](C)NC(=O)c1cc(SC)ccc1[O-] ZINC000665875971 419168227 /nfs/dbraw/zinc/16/82/27/419168227.db2.gz SEVZTJTZSJHHTP-SECBINFHSA-N -1 3 253.367 3.033 20 0 CGADHM O=c1cc(CN2CC[C@@H]2c2cccc(F)c2)nc(C2CC2)[n-]1 ZINC000656454047 419172773 /nfs/dbraw/zinc/17/27/73/419172773.db2.gz PAHGYABJTTVXQO-OAHLLOKOSA-N -1 3 299.349 3.146 20 0 CGADHM Cc1cc(=O)[n-]c(C(C)(C)NC/C=C/c2ccccc2)n1 ZINC000660748728 419189352 /nfs/dbraw/zinc/18/93/52/419189352.db2.gz ZZDVVMNZRFWJDC-JXMROGBWSA-N -1 3 283.375 3.029 20 0 CGADHM O=C(Nc1nc(-c2ccccn2)cs1)c1cccc([O-])c1 ZINC000194047668 287611876 /nfs/dbraw/zinc/61/18/76/287611876.db2.gz AOIAINCIPQFSQT-UHFFFAOYSA-N -1 3 297.339 3.163 20 0 CGADHM CSCCCCNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737181085 572865052 /nfs/dbraw/zinc/86/50/52/572865052.db2.gz FSTQIFFZOJNJCD-UHFFFAOYSA-N -1 3 297.815 3.075 20 0 CGADHM CSCCCCNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737181085 572865056 /nfs/dbraw/zinc/86/50/56/572865056.db2.gz FSTQIFFZOJNJCD-UHFFFAOYSA-N -1 3 297.815 3.075 20 0 CGADHM CC1(C)CCCN1C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000185830633 262309410 /nfs/dbraw/zinc/30/94/10/262309410.db2.gz UTIRHSAEIQVNLS-UHFFFAOYSA-N -1 3 273.376 3.286 20 0 CGADHM Cc1ccc(NC([O-])=NOC(C)C)cc1OC(F)F ZINC000296580230 263193273 /nfs/dbraw/zinc/19/32/73/263193273.db2.gz HVAVULRZUXHWDO-UHFFFAOYSA-N -1 3 274.267 3.058 20 0 CGADHM Cc1ccc(NC(=O)[N-]OC(C)C)cc1OC(F)F ZINC000296580230 263193274 /nfs/dbraw/zinc/19/32/74/263193274.db2.gz HVAVULRZUXHWDO-UHFFFAOYSA-N -1 3 274.267 3.058 20 0 CGADHM [O-]c1ccc(-c2noc(-c3ccccc3F)n2)cc1 ZINC000034956088 270027748 /nfs/dbraw/zinc/02/77/48/270027748.db2.gz LVOGAVQDMMOMPU-UHFFFAOYSA-N -1 3 256.236 3.248 20 0 CGADHM CC[C@@H]1CCCC[C@H]1NC(=O)c1cccc(OC)c1[O-] ZINC000042431709 270032892 /nfs/dbraw/zinc/03/28/92/270032892.db2.gz NDVBNGGFVKRNOK-DGCLKSJQSA-N -1 3 277.364 3.099 20 0 CGADHM CC(C)[C@@H](C)CNC(=O)c1cc([O-])ccc1Cl ZINC000232701274 287646557 /nfs/dbraw/zinc/64/65/57/287646557.db2.gz CINCBAMFKYCWQO-VIFPVBQESA-N -1 3 255.745 3.068 20 0 CGADHM CCc1ccccc1CNC(=O)c1cc(C)ccc1[O-] ZINC000084204592 270043261 /nfs/dbraw/zinc/04/32/61/270043261.db2.gz CQPFWTMQVVJLTI-UHFFFAOYSA-N -1 3 269.344 3.193 20 0 CGADHM COc1cccc(C(=O)N(CCC(C)C)C2CC2)c1[O-] ZINC000107202749 270049523 /nfs/dbraw/zinc/04/95/23/270049523.db2.gz AMNDWLJAZFJQBR-UHFFFAOYSA-N -1 3 277.364 3.052 20 0 CGADHM CC[C@H]([N-]S(=O)(=O)c1cc(F)cc(F)c1)C(C)(C)C ZINC000519254150 265375851 /nfs/dbraw/zinc/37/58/51/265375851.db2.gz IYLSQXFYSBOCOQ-LBPRGKRZSA-N -1 3 291.363 3.068 20 0 CGADHM Cc1oc2ccccc2c1C(=O)Nc1ncccc1[O-] ZINC000185135419 270061932 /nfs/dbraw/zinc/06/19/32/270061932.db2.gz UNOBGENDKBWDBR-UHFFFAOYSA-N -1 3 268.272 3.094 20 0 CGADHM O=C(Nc1ccccn1)c1cc([O-])ccc1C(F)(F)F ZINC000188875583 270070136 /nfs/dbraw/zinc/07/01/36/270070136.db2.gz XHBLFQAFVBJFEO-UHFFFAOYSA-N -1 3 282.221 3.058 20 0 CGADHM CC(=O)c1cc(C(=O)Nc2cccc([O-])c2)ccc1C ZINC000193666571 270079837 /nfs/dbraw/zinc/07/98/37/270079837.db2.gz JNSRXXIXKSVEFF-UHFFFAOYSA-N -1 3 269.300 3.156 20 0 CGADHM Cc1ccc(C(=O)N2C[C@H](C)C[C@H](C)[C@H]2C)c([O-])c1 ZINC000229427001 270088296 /nfs/dbraw/zinc/08/82/96/270088296.db2.gz XVYRRARHFGIVFK-FRRDWIJNSA-N -1 3 261.365 3.207 20 0 CGADHM CC(C)CCC[C@@H](C)NC(=O)c1c([O-])cccc1O ZINC000228854971 270088346 /nfs/dbraw/zinc/08/83/46/270088346.db2.gz PVVCEDMBJLZCKV-LLVKDONJSA-N -1 3 265.353 3.042 20 0 CGADHM COC(=O)Nc1cccc(NCc2cc([O-])cc(F)c2)c1 ZINC000223114745 270086280 /nfs/dbraw/zinc/08/62/80/270086280.db2.gz ZMMOVVMKJCLFGU-UHFFFAOYSA-N -1 3 290.294 3.322 20 0 CGADHM C[C@H]1CN(Cc2cccc([O-])c2Br)C[C@H]1C ZINC000316202459 270092812 /nfs/dbraw/zinc/09/28/12/270092812.db2.gz VEGDRZHQWLHKLR-AOOOYVTPSA-N -1 3 284.197 3.243 20 0 CGADHM CCC[C@H](CN=c1[n-]cc(C(F)(F)F)s1)OCC ZINC000528080831 270153843 /nfs/dbraw/zinc/15/38/43/270153843.db2.gz FXAJNRCETPFOIY-MRVPVSSYSA-N -1 3 282.331 3.201 20 0 CGADHM C[C@H](CN(C)c1cc(Cl)c(=O)[n-]n1)C1CCCCC1 ZINC000528213184 270157988 /nfs/dbraw/zinc/15/79/88/270157988.db2.gz DHGVGZXSOHHEGD-SNVBAGLBSA-N -1 3 283.803 3.488 20 0 CGADHM CC(C)CO[N-]C(=O)[C@@H]1CC[C@H]1c1ccc(F)cc1 ZINC000528878086 270175041 /nfs/dbraw/zinc/17/50/41/270175041.db2.gz FTQFARZREGCBBW-UONOGXRCSA-N -1 3 265.328 3.023 20 0 CGADHM O=C([N-]OC1CCCC1)[C@H]1CC[C@H]1c1ccc(F)cc1 ZINC000528963254 270176472 /nfs/dbraw/zinc/17/64/72/270176472.db2.gz BSTUVDZMDLUOTM-GJZGRUSLSA-N -1 3 277.339 3.310 20 0 CGADHM O=C([N-]OC1CCCC1)[C@H]1CC[C@@H]1c1ccc(F)cc1 ZINC000528963252 270176476 /nfs/dbraw/zinc/17/64/76/270176476.db2.gz BSTUVDZMDLUOTM-CABCVRRESA-N -1 3 277.339 3.310 20 0 CGADHM O=C([N-]OCC1CC1)Nc1cc2c(cc1Cl)CCC2 ZINC000529281053 270179317 /nfs/dbraw/zinc/17/93/17/270179317.db2.gz BVIRYESKGMKFKD-UHFFFAOYSA-N -1 3 280.755 3.292 20 0 CGADHM O=C([O-])[C@H]1c2ccoc2CCN1CCCC1CCCC1 ZINC000530167139 270195231 /nfs/dbraw/zinc/19/52/31/270195231.db2.gz UMGUBYGZQGHTTB-OAHLLOKOSA-N -1 3 277.364 3.234 20 0 CGADHM CC(C)c1ccc(C(=O)N(C)OCC(F)(F)F)c([O-])c1 ZINC000530260384 270197868 /nfs/dbraw/zinc/19/78/68/270197868.db2.gz YNXPILTTZORMSI-UHFFFAOYSA-N -1 3 291.269 3.082 20 0 CGADHM C[C@H]1CCC[C@@H](OCC(=O)Nc2cc(F)ccc2[O-])C1 ZINC000530895858 270203667 /nfs/dbraw/zinc/20/36/67/270203667.db2.gz JEBQIBBXHVGNPW-CMPLNLGQSA-N -1 3 281.327 3.065 20 0 CGADHM CC1CC(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)C1 ZINC000532382278 270216188 /nfs/dbraw/zinc/21/61/88/270216188.db2.gz IXZONYTUALDLRK-UHFFFAOYSA-N -1 3 273.254 3.396 20 0 CGADHM CC(C)n1cnc(C(=O)N2CC[C@H](C)c3cccc([O-])c32)c1 ZINC000282219466 276086635 /nfs/dbraw/zinc/08/66/35/276086635.db2.gz GRKGRRGEJUVXPR-LBPRGKRZSA-N -1 3 299.374 3.324 20 0 CGADHM CC(C)(C)[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000016090514 277173586 /nfs/dbraw/zinc/17/35/86/277173586.db2.gz ZQGUCMJSSKIXJT-UHFFFAOYSA-N -1 3 282.192 3.070 20 0 CGADHM CC(C)[C@@]1(C)C[C@H]1C(=O)Nc1ccc([O-])cc1F ZINC000336078316 277855235 /nfs/dbraw/zinc/85/52/35/277855235.db2.gz ZELJNORDWZUOSI-IINYFYTJSA-N -1 3 251.301 3.152 20 0 CGADHM Cc1cc(C(=O)N2CCC[C@H]2CC(C)C)ccc1[O-] ZINC000396769376 288016096 /nfs/dbraw/zinc/01/60/96/288016096.db2.gz CMLRHZBIIWCSIJ-AWEZNQCLSA-N -1 3 261.365 3.351 20 0 CGADHM CC(C)(NCc1cc(=O)[n-]c(C2CC2)n1)c1cccs1 ZINC000459402544 288089533 /nfs/dbraw/zinc/08/95/33/288089533.db2.gz KALQXYMHAWYCOW-UHFFFAOYSA-N -1 3 289.404 3.146 20 0 CGADHM CC[C@H](NCc1cccc([O-])c1Br)C(F)F ZINC000459576946 288098470 /nfs/dbraw/zinc/09/84/70/288098470.db2.gz WGMQSNKBIYNVFL-QMMMGPOBSA-N -1 3 294.139 3.288 20 0 CGADHM CCN1CCN(C(=O)c2ccc(C)cc2[O-])c2ccccc21 ZINC000171893191 279349159 /nfs/dbraw/zinc/34/91/59/279349159.db2.gz OZUUYXLZNBAMFB-UHFFFAOYSA-N -1 3 296.370 3.187 20 0 CGADHM CC(C)[C@H](C)N(C)C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436754796 280209939 /nfs/dbraw/zinc/20/99/39/280209939.db2.gz KOUNDKOEXDNZOW-NSHDSACASA-N -1 3 291.391 3.222 20 0 CGADHM Cc1cocc1C(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000529053423 288230474 /nfs/dbraw/zinc/23/04/74/288230474.db2.gz FJIPAGAIFAUCJJ-JTQLQIEISA-N -1 3 271.316 3.448 20 0 CGADHM CC1(CCNC(=O)c2cc([O-])cc(Br)c2)CC1 ZINC000529218959 288238839 /nfs/dbraw/zinc/23/88/39/288238839.db2.gz PRLQXAZHOBSEEF-UHFFFAOYSA-N -1 3 298.180 3.075 20 0 CGADHM Cc1ccc(C)c(OCC(=O)Nc2ccc([O-])cc2F)c1 ZINC000183244900 280797873 /nfs/dbraw/zinc/79/78/73/280797873.db2.gz CQGOOVFFYNDSHT-UHFFFAOYSA-N -1 3 289.306 3.166 20 0 CGADHM CC[C@H]1[C@@H](C)CCN1C(=O)c1ccc(C)c(C)c1[O-] ZINC000436957929 281263295 /nfs/dbraw/zinc/26/32/95/281263295.db2.gz YGNPGHMSXTVXJK-FZMZJTMJSA-N -1 3 261.365 3.270 20 0 CGADHM CCc1cccc(C(=O)N[C@@H]2[C@H]3Cc4ccccc4[C@@H]23)c1[O-] ZINC000532184420 288353887 /nfs/dbraw/zinc/35/38/87/288353887.db2.gz HVKOJPYGAFTFIW-GVDBMIGSSA-N -1 3 293.366 3.023 20 0 CGADHM CCc1ncc(C(=O)Nc2ccc(Cl)cc2[O-])s1 ZINC000533159702 288376037 /nfs/dbraw/zinc/37/60/37/288376037.db2.gz RFLUMTHFLYCWJY-UHFFFAOYSA-N -1 3 282.752 3.317 20 0 CGADHM C[C@@H]1C[C@H](C)CN(C(=O)c2ccc3c(c2[O-])CCCC3)C1 ZINC000436948470 288647269 /nfs/dbraw/zinc/64/72/69/288647269.db2.gz OUVVYUORANENMR-BETUJISGSA-N -1 3 287.403 3.389 20 0 CGADHM O=C(Nc1ccc([O-])cc1F)c1ccc2c(n1)CCCC2 ZINC000542099209 288733998 /nfs/dbraw/zinc/73/39/98/288733998.db2.gz VRRJZPHIVPAYAX-UHFFFAOYSA-N -1 3 286.306 3.057 20 0 CGADHM C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)Cc1ccc([O-])c(F)c1 ZINC000449879431 288795071 /nfs/dbraw/zinc/79/50/71/288795071.db2.gz HIWZEJHTASYHQS-KYOSRNDESA-N -1 3 291.366 3.253 20 0 CGADHM C[C@H](F)CC[N-]S(=O)(=O)c1ccc(C(C)(C)C)s1 ZINC000549915364 289059677 /nfs/dbraw/zinc/05/96/77/289059677.db2.gz NXNWCZOOEJIUKD-VIFPVBQESA-N -1 3 293.429 3.072 20 0 CGADHM C[C@@H]1CC(C(=O)Nc2c([O-])cccc2Cl)C[C@@H](C)O1 ZINC000552435569 289189385 /nfs/dbraw/zinc/18/93/85/289189385.db2.gz NNPNTQPPPLMEIX-RKDXNWHRSA-N -1 3 283.755 3.188 20 0 CGADHM CCc1cc(C(=O)N[C@@H]2CCC[C@H](SC)C2)ccc1[O-] ZINC000553129241 289209786 /nfs/dbraw/zinc/20/97/86/289209786.db2.gz UJCNCQDXEUKFEO-KGLIPLIRSA-N -1 3 293.432 3.359 20 0 CGADHM CCc1cc(C(=O)N[C@@H]2CCC[C@@H](SC)C2)ccc1[O-] ZINC000553129243 289209928 /nfs/dbraw/zinc/20/99/28/289209928.db2.gz UJCNCQDXEUKFEO-ZIAGYGMSSA-N -1 3 293.432 3.359 20 0 CGADHM [O-]c1cccnc1CN1CCC[C@H]1c1ccc(F)cc1 ZINC000554851674 289313368 /nfs/dbraw/zinc/31/33/68/289313368.db2.gz JBQIZOJTTCSOTJ-HNNXBMFYSA-N -1 3 272.323 3.263 20 0 CGADHM CCC[C@H](NCc1ncccc1[O-])c1ccccc1 ZINC000558403159 289491684 /nfs/dbraw/zinc/49/16/84/289491684.db2.gz SBFINESYAQTWAV-AWEZNQCLSA-N -1 3 256.349 3.418 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCC[C@H](C(C)C)CC2)n1 ZINC000580520027 335090778 /nfs/dbraw/zinc/09/07/78/335090778.db2.gz KNNJNNPGQUTZIN-KGLIPLIRSA-N -1 3 277.412 3.310 20 0 CGADHM CCc1ccc2nccc(N3CCC[C@@H](CC(=O)[O-])C3)c2c1 ZINC000562780285 289734242 /nfs/dbraw/zinc/73/42/42/289734242.db2.gz HJUISGYEMSMVSF-AWEZNQCLSA-N -1 3 298.386 3.488 20 0 CGADHM Cc1cccc2c(=O)c(C(=O)N(C)[C@@H]3CC[C@H](C)C3)c[n-]c12 ZINC000430696648 302051788 /nfs/dbraw/zinc/05/17/88/302051788.db2.gz JXFTXANANQZAMU-WCQYABFASA-N -1 3 298.386 3.097 20 0 CGADHM C[C@H]1CN(C(=O)Cc2ccc([O-])cc2Cl)CC[C@@H]1C ZINC000153756843 321726675 /nfs/dbraw/zinc/72/66/75/321726675.db2.gz LNNPVUGVFNBXDQ-QWRGUYRKSA-N -1 3 281.783 3.093 20 0 CGADHM Cc1cc(C(=O)NC(C2CCC2)C2CCC2)ccc1[O-] ZINC000325324510 321962408 /nfs/dbraw/zinc/96/24/08/321962408.db2.gz FBZPQQYKQKTRNV-UHFFFAOYSA-N -1 3 273.376 3.399 20 0 CGADHM CCc1oc(C(=O)[O-])cc1CN1C[C@@H](C)C[C@H](C)C1 ZINC000563277150 321987206 /nfs/dbraw/zinc/98/72/06/321987206.db2.gz IPCUACALTCSDFJ-QWRGUYRKSA-N -1 3 265.353 3.018 20 0 CGADHM Cc1cc(C(=O)[N-]c2nc(C)c(C(F)(F)F)s2)on1 ZINC000563502831 322000741 /nfs/dbraw/zinc/00/07/41/322000741.db2.gz DCTGKPNZCDOLKS-UHFFFAOYSA-N -1 3 291.254 3.019 20 0 CGADHM Cc1ccc(CN[C@H](C)CCCC(=O)[O-])c(Cl)c1 ZINC000563960806 322016851 /nfs/dbraw/zinc/01/68/51/322016851.db2.gz SPGUPGNNHDNXFN-LLVKDONJSA-N -1 3 269.772 3.381 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2Cc3ccccc3CO2)c1 ZINC000564023971 322018290 /nfs/dbraw/zinc/01/82/90/322018290.db2.gz RHOSYKUGLQRYQX-UHFFFAOYSA-N -1 3 283.327 3.042 20 0 CGADHM COCC(C)(C)CCCN=c1[n-]cc(C(F)(F)F)s1 ZINC000564056220 322018972 /nfs/dbraw/zinc/01/89/72/322018972.db2.gz DOFGJYUMCRYALT-UHFFFAOYSA-N -1 3 296.358 3.449 20 0 CGADHM C[C@H]1Cc2cc(F)ccc2[C@H](C)N1CCCCC(=O)[O-] ZINC000564092911 322020168 /nfs/dbraw/zinc/02/01/68/322020168.db2.gz PDRIMZXJXZRFDD-RYUDHWBXSA-N -1 3 279.355 3.388 20 0 CGADHM C[C@@H]1C[C@@H](C(C)(C)C)CCN1C(=O)Cc1cncc([O-])c1 ZINC000564738182 322040894 /nfs/dbraw/zinc/04/08/94/322040894.db2.gz ZMLFAFLQQAPDJG-OCCSQVGLSA-N -1 3 290.407 3.003 20 0 CGADHM CCN(CC1CC1)[C@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000565310698 322072768 /nfs/dbraw/zinc/07/27/68/322072768.db2.gz ZSZCEVLOZRCLKA-ZDUSSCGKSA-N -1 3 285.746 3.337 20 0 CGADHM Cc1ccc(C(=O)Nc2c([O-])cccc2Cl)o1 ZINC000565496928 322079881 /nfs/dbraw/zinc/07/98/81/322079881.db2.gz IAWBIEDJWKQYLX-UHFFFAOYSA-N -1 3 251.669 3.199 20 0 CGADHM CC[C@@H](F)CN1CCC(Cc2ccccc2C(=O)[O-])CC1 ZINC000566510161 322127989 /nfs/dbraw/zinc/12/79/89/322127989.db2.gz KSLYVHPTZBDUQH-OAHLLOKOSA-N -1 3 293.382 3.387 20 0 CGADHM C[C@H](CN(C)[C@H](C)c1ccc(C(=O)[O-])o1)c1nccs1 ZINC000567117044 322150986 /nfs/dbraw/zinc/15/09/86/322150986.db2.gz UXJPJBSEOOFTRZ-NXEZZACHSA-N -1 3 294.376 3.231 20 0 CGADHM CCCN(CC)[C@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000567280157 322157341 /nfs/dbraw/zinc/15/73/41/322157341.db2.gz RVVWAZVGLMLRSZ-LBPRGKRZSA-N -1 3 273.735 3.337 20 0 CGADHM CCCN(CC)[C@@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000567280156 322157538 /nfs/dbraw/zinc/15/75/38/322157538.db2.gz RVVWAZVGLMLRSZ-GFCCVEGCSA-N -1 3 273.735 3.337 20 0 CGADHM C[C@H](CN(Cc1sccc1Cl)C1CC1)C(=O)[O-] ZINC000568074070 322192039 /nfs/dbraw/zinc/19/20/39/322192039.db2.gz VSGBTNCVJIBJAU-MRVPVSSYSA-N -1 3 273.785 3.087 20 0 CGADHM Cc1cccc(CN[C@@H](CC(=O)[O-])c2ccncc2)c1C ZINC000568257103 322201555 /nfs/dbraw/zinc/20/15/55/322201555.db2.gz BBUUMVZYMDQTNC-INIZCTEOSA-N -1 3 284.359 3.004 20 0 CGADHM COc1ccc(F)cc1C(=O)Nc1c([O-])cccc1Cl ZINC000568571117 322214055 /nfs/dbraw/zinc/21/40/55/322214055.db2.gz UINLHCFSORPJRB-UHFFFAOYSA-N -1 3 295.697 3.446 20 0 CGADHM Cc1ccccc1[C@H]1CCN(Cc2ccc(C(=O)[O-])o2)C1 ZINC000569463957 322248053 /nfs/dbraw/zinc/24/80/53/322248053.db2.gz TZYLPOSRKAHOFO-ZDUSSCGKSA-N -1 3 285.343 3.276 20 0 CGADHM CC(C)[C@H](NCc1ncccc1[O-])c1ccccc1 ZINC000570319196 322270720 /nfs/dbraw/zinc/27/07/20/322270720.db2.gz QUKIAHITIMVHQA-INIZCTEOSA-N -1 3 256.349 3.274 20 0 CGADHM CC1(C)CCC(C)(CNC(=O)Cc2cncc([O-])c2)CC1 ZINC000570816286 322283150 /nfs/dbraw/zinc/28/31/50/322283150.db2.gz MTUICTOBQHOUKP-UHFFFAOYSA-N -1 3 290.407 3.052 20 0 CGADHM CS[C@H](C)CCC(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000570969791 322286701 /nfs/dbraw/zinc/28/67/01/322286701.db2.gz KLEMNVYCOCGMJW-SECBINFHSA-N -1 3 281.377 3.065 20 0 CGADHM CC[C@H](C)[C@H](OC)C(=O)Nc1c([O-])cccc1Cl ZINC000571178148 322292260 /nfs/dbraw/zinc/29/22/60/322292260.db2.gz XSLMIHXRSVWJHB-UFBFGSQYSA-N -1 3 271.744 3.045 20 0 CGADHM CO[C@@]1(C)C[C@@H](N(C)Cc2ccsc2C(=O)[O-])C1(C)C ZINC000571410645 322298149 /nfs/dbraw/zinc/29/81/49/322298149.db2.gz VGMAVZQZZUGSDK-ABAIWWIYSA-N -1 3 297.420 3.082 20 0 CGADHM Cc1ccc(CN([C@H](C)C(=O)[O-])C2CCC2)c(Cl)c1 ZINC000572857116 322358666 /nfs/dbraw/zinc/35/86/66/322358666.db2.gz NPHUXVXFSSWGLC-LLVKDONJSA-N -1 3 281.783 3.476 20 0 CGADHM C[C@@H](C(=O)[O-])[C@H](C)NCc1csc(C2CCCCC2)n1 ZINC000572967982 322363541 /nfs/dbraw/zinc/36/35/41/322363541.db2.gz WRFWVEJFGJRBLA-MNOVXSKESA-N -1 3 296.436 3.390 20 0 CGADHM Cc1ccc([O-])c(-c2nc(CC3CC(F)(F)C3)no2)c1 ZINC000573675310 322400763 /nfs/dbraw/zinc/40/07/63/322400763.db2.gz NDGYGENKBLJCKN-UHFFFAOYSA-N -1 3 280.274 3.338 20 0 CGADHM C[C@@H](c1ccco1)N(CCCCCC(=O)[O-])C1CC1 ZINC000577117807 327078548 /nfs/dbraw/zinc/07/85/48/327078548.db2.gz AASDTWDJDGNGMZ-LBPRGKRZSA-N -1 3 265.353 3.450 20 0 CGADHM COc1ccc([C@@H](C)N(C)Cc2ccc(C(=O)[O-])o2)cc1 ZINC000582551487 329106168 /nfs/dbraw/zinc/10/61/68/329106168.db2.gz HYUFPQKXWSRJMY-LLVKDONJSA-N -1 3 289.331 3.179 20 0 CGADHM CCCN(Cc1cc(C(=O)[O-])c(C)o1)C[C@H]1CCCCO1 ZINC000582671795 329123004 /nfs/dbraw/zinc/12/30/04/329123004.db2.gz VUNOAXFJIRBMGZ-CYBMUJFWSA-N -1 3 295.379 3.067 20 0 CGADHM O=C([O-])c1sccc1CN1CCS[C@@H]2CCCC[C@@H]21 ZINC000580456553 330141096 /nfs/dbraw/zinc/14/10/96/330141096.db2.gz HQVGRPOVHRLXMK-NWDGAFQWSA-N -1 3 297.445 3.306 20 0 CGADHM CC(C)[C@H]1CCCC[C@H]1NC(=O)c1ccc(O)cc1[O-] ZINC000221009339 333171957 /nfs/dbraw/zinc/17/19/57/333171957.db2.gz OTKJMIBBAZBJDJ-TZMCWYRMSA-N -1 3 277.364 3.042 20 0 CGADHM Cc1sc(C(=O)[O-])cc1CN1CCS[C@H](C(C)C)C1 ZINC000576166278 335163589 /nfs/dbraw/zinc/16/35/89/335163589.db2.gz MMAYCGYBZJTXLN-ZDUSSCGKSA-N -1 3 299.461 3.328 20 0 CGADHM CCN(Cc1cc(C(=O)[O-])ccc1Cl)CC1CC1 ZINC000576166606 335163738 /nfs/dbraw/zinc/16/37/38/335163738.db2.gz VMUSDHQXSXIOBQ-UHFFFAOYSA-N -1 3 267.756 3.270 20 0 CGADHM O=C(CCc1cccc(F)c1F)Nc1cc(F)ccc1[O-] ZINC000174887743 335168748 /nfs/dbraw/zinc/16/87/48/335168748.db2.gz KBTCRSGRHWNXHH-UHFFFAOYSA-N -1 3 295.260 3.381 20 0 CGADHM C[C@@H](C(=O)Nc1ccccc1[O-])c1cccc(F)c1 ZINC000175082704 335173137 /nfs/dbraw/zinc/17/31/37/335173137.db2.gz WTQJILMTLDOQRT-SNVBAGLBSA-N -1 3 259.280 3.274 20 0 CGADHM CCCCN(C(=O)c1ccc2n[n-]nc2c1)c1ccccc1 ZINC000192692162 335291921 /nfs/dbraw/zinc/29/19/21/335291921.db2.gz WXTWPYOKEAZIES-UHFFFAOYSA-N -1 3 294.358 3.405 20 0 CGADHM C[C@@H](C(=O)[O-])[C@H](C)NCc1nc(-c2ccccc2)cs1 ZINC000578634953 335657029 /nfs/dbraw/zinc/65/70/29/335657029.db2.gz PFMXTMBQRJNVFL-MNOVXSKESA-N -1 3 290.388 3.009 20 0 CGADHM Cc1cccc2c1ncc(C)c2N1CC[C@@H](C(=O)[O-])[C@H]1C ZINC000579597725 335818028 /nfs/dbraw/zinc/81/80/28/335818028.db2.gz BCLPQZPRTWCWEJ-CHWSQXEVSA-N -1 3 284.359 3.151 20 0 CGADHM Cc1cccc(C(=O)Nc2c(C)cccc2[O-])c1F ZINC000183028539 335856944 /nfs/dbraw/zinc/85/69/44/335856944.db2.gz RTGVYMYPXMNNAP-UHFFFAOYSA-N -1 3 259.280 3.400 20 0 CGADHM CCc1onc(C)c1C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000185721154 335955984 /nfs/dbraw/zinc/95/59/84/335955984.db2.gz CXCHRZBESMOCQD-UHFFFAOYSA-N -1 3 294.738 3.465 20 0 CGADHM Cc1cc(F)cc(NC(=O)c2n[n-]nc2-c2ccccc2)c1 ZINC000194214062 336009260 /nfs/dbraw/zinc/00/92/60/336009260.db2.gz TZELYGJUSYJMBS-UHFFFAOYSA-N -1 3 296.305 3.172 20 0 CGADHM CC(C)[C@@H](C)CN=c1[n-]c(C(F)(F)F)cs1 ZINC000381120275 336050888 /nfs/dbraw/zinc/05/08/88/336050888.db2.gz IJCPBBREBRNEAT-ZETCQYMHSA-N -1 3 252.305 3.288 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2ccc3c(c2)CCCO3)c1 ZINC000383630202 336115852 /nfs/dbraw/zinc/11/58/52/336115852.db2.gz KCTTUBJQMYGREB-UHFFFAOYSA-N -1 3 283.327 3.278 20 0 CGADHM O=C([O-])[C@@H](CC1CCCC1)NCc1cccc(F)c1F ZINC000581860603 336153077 /nfs/dbraw/zinc/15/30/77/336153077.db2.gz IWHFJJRMPLZEJX-CYBMUJFWSA-N -1 3 283.318 3.088 20 0 CGADHM CN(C(=O)Cc1cncc([O-])c1)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000581953918 336178820 /nfs/dbraw/zinc/17/88/20/336178820.db2.gz CGMJEJBCAIYNMG-LSDHHAIUSA-N -1 3 290.407 3.003 20 0 CGADHM CC(=O)Nc1ccc(/C=C\C(=O)Nc2ccccc2[O-])cc1 ZINC000255121753 500588533 /nfs/dbraw/zinc/58/85/33/500588533.db2.gz XQVCPZWACDVEOI-FLIBITNWSA-N -1 3 296.326 3.003 20 0 CGADHM C[C@H](CC1CCCCC1)NC(=O)c1ccc(O)cc1[O-] ZINC000436716799 533781548 /nfs/dbraw/zinc/78/15/48/533781548.db2.gz CPWBHVFXOVXINV-LLVKDONJSA-N -1 3 277.364 3.187 20 0 CGADHM C[C@@H]1CCC[C@H](C(=O)N=c2cc(-c3ccccc3)[n-][nH]2)C1 ZINC000439023657 533817903 /nfs/dbraw/zinc/81/79/03/533817903.db2.gz XBWGWJJAIHLPDU-OCCSQVGLSA-N -1 3 283.375 3.263 20 0 CGADHM COc1cc(CNC(=O)c2ccc(C)c(C)c2[O-])ccc1C ZINC000436663686 533866525 /nfs/dbraw/zinc/86/65/25/533866525.db2.gz IFAQPEYOPJVNQH-UHFFFAOYSA-N -1 3 299.370 3.256 20 0 CGADHM COc1ccccc1/C=C/CNCc1ccc(C(=O)[O-])cc1 ZINC000426684828 533950056 /nfs/dbraw/zinc/95/00/56/533950056.db2.gz CGOZBLBLOJLLJQ-GQCTYLIASA-N -1 3 297.354 3.196 20 0 CGADHM COc1ccccc1C(C)(C)NC(=O)c1ccc([O-])c(C)c1 ZINC000436929938 533981877 /nfs/dbraw/zinc/98/18/77/533981877.db2.gz VZTJTQNGYNLSQO-UHFFFAOYSA-N -1 3 299.370 3.374 20 0 CGADHM C[C@@H]1CC[C@H](NC(=O)Cc2ccc([O-])c(F)c2)[C@@H](C)C1 ZINC000448979416 534250523 /nfs/dbraw/zinc/25/05/23/534250523.db2.gz IDCWIPFBDREDAS-SUNKGSAMSA-N -1 3 279.355 3.015 20 0 CGADHM Cc1ccc(C(=O)N(C)[C@H](C)C2CCC2)c([O-])c1C ZINC000436723776 534259976 /nfs/dbraw/zinc/25/99/76/534259976.db2.gz QWSCAIFXZVQIRY-GFCCVEGCSA-N -1 3 261.365 3.270 20 0 CGADHM Cc1nc(CNCC2CCC(C)(C)CC2)sc1C(=O)[O-] ZINC000426685438 534383603 /nfs/dbraw/zinc/38/36/03/534383603.db2.gz HUYWJBWEIWTOQP-UHFFFAOYSA-N -1 3 296.436 3.456 20 0 CGADHM O=C(NCCc1cc2ccccc2o1)c1ccccc1[O-] ZINC000170190270 534443914 /nfs/dbraw/zinc/44/39/14/534443914.db2.gz AFOMURGFPCREPV-UHFFFAOYSA-N -1 3 281.311 3.111 20 0 CGADHM Cc1cccc(-c2nc(-c3nccc4[nH]ccc43)no2)c1[O-] ZINC000436521689 534555901 /nfs/dbraw/zinc/55/59/01/534555901.db2.gz OHMLYSXNPQQAKT-UHFFFAOYSA-N -1 3 292.298 3.294 20 0 CGADHM Cc1cccc(C(=O)NC[C@@H]2CCc3ccccc32)c1[O-] ZINC000436827483 534606772 /nfs/dbraw/zinc/60/67/72/534606772.db2.gz DXZJBSHEDIFTKC-AWEZNQCLSA-N -1 3 281.355 3.160 20 0 CGADHM Cc1cccc(C(=O)N[C@@H](CC(F)(F)F)C(C)C)c1[O-] ZINC000438604223 534617476 /nfs/dbraw/zinc/61/74/76/534617476.db2.gz CZYDNVJUOLNFEK-NSHDSACASA-N -1 3 289.297 3.407 20 0 CGADHM Cc1cccc2[nH]cc(CCNC(=O)c3ccccc3[O-])c21 ZINC000436808668 534775222 /nfs/dbraw/zinc/77/52/22/534775222.db2.gz PREAEIQSDNFJFE-UHFFFAOYSA-N -1 3 294.354 3.154 20 0 CGADHM O=C(NCCCCCc1ccccc1)c1c([O-])cccc1O ZINC000436650199 534835980 /nfs/dbraw/zinc/83/59/80/534835980.db2.gz VFOROCDQPTZXON-UHFFFAOYSA-N -1 3 299.370 3.241 20 0 CGADHM CC(C)(C)c1nc(CNC[C@H]2CCC[C@H]2C(=O)[O-])cs1 ZINC000089443050 534899417 /nfs/dbraw/zinc/89/94/17/534899417.db2.gz XFQWOPDEQVWYTL-ZYHUDNBSSA-N -1 3 296.436 3.031 20 0 CGADHM Cc1ccc(C(=O)N(C)C[C@@H](C)c2nccs2)c([O-])c1 ZINC000184886272 526059108 /nfs/dbraw/zinc/05/91/08/526059108.db2.gz BTLODYNHICTQCM-LLVKDONJSA-N -1 3 290.388 3.033 20 0 CGADHM CC(C)CC1(C)CCN(C(=O)c2c([O-])cccc2O)CC1 ZINC000436919071 527689125 /nfs/dbraw/zinc/68/91/25/527689125.db2.gz AMERCHFHUQWFKW-UHFFFAOYSA-N -1 3 291.391 3.386 20 0 CGADHM CCC1(CNC(=O)c2ccc3n[n-]nc3c2)CCCCC1 ZINC000358201737 527741512 /nfs/dbraw/zinc/74/15/12/527741512.db2.gz VFZHXXIDWVIESJ-UHFFFAOYSA-N -1 3 286.379 3.048 20 0 CGADHM CCN(CC(C)C)C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436769597 527961311 /nfs/dbraw/zinc/96/13/11/527961311.db2.gz MGPNQSINYQZGNZ-UHFFFAOYSA-N -1 3 275.392 3.389 20 0 CGADHM CCC[C@H](C)[C@H]1CCCN1C(=O)c1cc(OC)ccc1[O-] ZINC000156057061 528081047 /nfs/dbraw/zinc/08/10/47/528081047.db2.gz ACVQZNUWYSBTHH-SWLSCSKDSA-N -1 3 291.391 3.442 20 0 CGADHM CCCN(C[C@@H]1CCCCO1)C(=O)c1ccc(C)cc1[O-] ZINC000436557825 528122073 /nfs/dbraw/zinc/12/20/73/528122073.db2.gz YCEWWPDIBGZMQY-AWEZNQCLSA-N -1 3 291.391 3.122 20 0 CGADHM CCC[C@H](NC(=O)c1ccc(O)cc1[O-])c1ccccc1 ZINC000436763641 528203786 /nfs/dbraw/zinc/20/37/86/528203786.db2.gz LXNFATBVWSYREQ-HNNXBMFYSA-N -1 3 285.343 3.369 20 0 CGADHM CCCCN(C(=O)c1cc(CC)ccc1[O-])C1CC1 ZINC000436761452 528310019 /nfs/dbraw/zinc/31/00/19/528310019.db2.gz ZSPZNOHIOBWPLM-UHFFFAOYSA-N -1 3 261.365 3.359 20 0 CGADHM CCOc1cccc([C@@H]2C[C@H]2NC(=O)c2ccccc2[O-])c1 ZINC000436699627 528686060 /nfs/dbraw/zinc/68/60/60/528686060.db2.gz VRTWLQRRPJLQQO-JKSUJKDBSA-N -1 3 297.354 3.077 20 0 CGADHM CCC(CC)CN(CC)C(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000436563895 528743811 /nfs/dbraw/zinc/74/38/11/528743811.db2.gz FUMWRGQPYLYGNN-UHFFFAOYSA-N -1 3 291.391 3.493 20 0 CGADHM CC(C)[C@H](C(=O)Nc1cc(F)ccc1[O-])c1cccnc1 ZINC000436143693 528927579 /nfs/dbraw/zinc/92/75/79/528927579.db2.gz KLWKCRCEYRCXDF-HNNXBMFYSA-N -1 3 288.322 3.305 20 0 CGADHM CC(C)[C@H](C)N(C(=O)Cc1ccc([O-])c(F)c1)C1CC1 ZINC000448794266 528952082 /nfs/dbraw/zinc/95/20/82/528952082.db2.gz URDJROLOWZJJFK-NSHDSACASA-N -1 3 279.355 3.109 20 0 CGADHM CCN(C(=O)c1ccc(OC)cc1[O-])[C@@H]1CCCC[C@@H]1C ZINC000171242917 529085969 /nfs/dbraw/zinc/08/59/69/529085969.db2.gz CBEHPWGGWQECFL-SWLSCSKDSA-N -1 3 291.391 3.442 20 0 CGADHM CC[C@H]1CCCC[C@H]1C(=O)N=c1cc(-c2ccncc2)[n-][nH]1 ZINC000359369769 529208269 /nfs/dbraw/zinc/20/82/69/529208269.db2.gz KQDUPFVMWLIMHB-GXTWGEPZSA-N -1 3 298.390 3.049 20 0 CGADHM CC[C@H]1CCC[C@H](NC(=O)c2ccc(C(C)=O)c([O-])c2)C1 ZINC000412136096 529231230 /nfs/dbraw/zinc/23/12/30/529231230.db2.gz UKDITZNHGIBFAN-JSGCOSHPSA-N -1 3 289.375 3.293 20 0 CGADHM CCSc1ccc(Cl)cc1[N-]C(=O)c1cnccn1 ZINC000354982635 529245736 /nfs/dbraw/zinc/24/57/36/529245736.db2.gz HNXOTTVWSXLUDK-UHFFFAOYSA-N -1 3 293.779 3.494 20 0 CGADHM CC[C@H](C)n1ncc(NCc2nc(C)ccc2[O-])c1C ZINC000359793928 529294466 /nfs/dbraw/zinc/29/44/66/529294466.db2.gz HLVPFMJIVXYNJD-NSHDSACASA-N -1 3 274.368 3.184 20 0 CGADHM CC1(/C=C/C(=O)Nc2ccc(Cl)cc2[O-])CCOCC1 ZINC000493842758 535270577 /nfs/dbraw/zinc/27/05/77/535270577.db2.gz HXMSCNJMRRMVNC-SNAWJCMRSA-N -1 3 295.766 3.357 20 0 CGADHM CCc1cc(C(=O)N[C@@H]2c3ccccc3O[C@@H]2C)ccc1[O-] ZINC000495180654 536127533 /nfs/dbraw/zinc/12/75/33/536127533.db2.gz ABWKKDTXJUHTMH-DIFFPNOSSA-N -1 3 297.354 3.207 20 0 CGADHM C[C@H]1CN(C([O-])=NOCc2ccccc2)c2ccccc21 ZINC000728751976 571816746 /nfs/dbraw/zinc/81/67/46/571816746.db2.gz HPYIFIATVUYTLN-ZDUSSCGKSA-N -1 3 282.343 3.452 20 0 CGADHM C[C@H]1CN(C(=O)[N-]OCc2ccccc2)c2ccccc21 ZINC000728751976 571816750 /nfs/dbraw/zinc/81/67/50/571816750.db2.gz HPYIFIATVUYTLN-ZDUSSCGKSA-N -1 3 282.343 3.452 20 0 CGADHM Cc1cccc([C@@H](C)Nc2ncccc2-c2nnn[n-]2)c1C ZINC000737391317 572339509 /nfs/dbraw/zinc/33/95/09/572339509.db2.gz ZSQTYHVFDQLBCD-GFCCVEGCSA-N -1 3 294.362 3.052 20 0 CGADHM Cc1cccc([C@@H](C)Nc2ncccc2-c2nn[n-]n2)c1C ZINC000737391317 572339511 /nfs/dbraw/zinc/33/95/11/572339511.db2.gz ZSQTYHVFDQLBCD-GFCCVEGCSA-N -1 3 294.362 3.052 20 0 CGADHM Clc1cc(NC[C@H]2CC=CCC2)ccc1-c1nnn[n-]1 ZINC000737565671 572348975 /nfs/dbraw/zinc/34/89/75/572348975.db2.gz ODQJBLLSEMWDKE-JTQLQIEISA-N -1 3 289.770 3.288 20 0 CGADHM Clc1cc(NC[C@H]2CC=CCC2)ccc1-c1nn[n-]n1 ZINC000737565671 572348976 /nfs/dbraw/zinc/34/89/76/572348976.db2.gz ODQJBLLSEMWDKE-JTQLQIEISA-N -1 3 289.770 3.288 20 0 CGADHM Clc1cccc(Sc2ccc(-c3nnn[n-]3)cn2)c1 ZINC000737576541 572349458 /nfs/dbraw/zinc/34/94/58/572349458.db2.gz YWTBDCGTGUAPLR-UHFFFAOYSA-N -1 3 289.751 3.066 20 0 CGADHM Clc1cccc(Sc2ccc(-c3nn[n-]n3)cn2)c1 ZINC000737576541 572349461 /nfs/dbraw/zinc/34/94/61/572349461.db2.gz YWTBDCGTGUAPLR-UHFFFAOYSA-N -1 3 289.751 3.066 20 0 CGADHM Cc1cc(Nc2cccc(F)c2-c2nnn[n-]2)ccc1F ZINC000737281778 572369653 /nfs/dbraw/zinc/36/96/53/572369653.db2.gz ZFSPMQDMNVFVLF-UHFFFAOYSA-N -1 3 287.273 3.197 20 0 CGADHM Cc1cc(Nc2cccc(F)c2-c2nn[n-]n2)ccc1F ZINC000737281778 572369656 /nfs/dbraw/zinc/36/96/56/572369656.db2.gz ZFSPMQDMNVFVLF-UHFFFAOYSA-N -1 3 287.273 3.197 20 0 CGADHM C[C@H](NC1CCC(NC(=O)[O-])CC1)c1ccccc1F ZINC000739032354 572399743 /nfs/dbraw/zinc/39/97/43/572399743.db2.gz KYVFQELZHCWVMT-UNXYVOJBSA-N -1 3 280.343 3.055 20 0 CGADHM C[C@@H](NCc1ccccc1Cl)[C@H]1CCCN(C(=O)[O-])C1 ZINC000739030636 572409532 /nfs/dbraw/zinc/40/95/32/572409532.db2.gz ARERTDYYWARIOW-YPMHNXCESA-N -1 3 296.798 3.208 20 0 CGADHM C[C@H](NCc1ccccc1Cl)[C@H]1CCCN(C(=O)[O-])C1 ZINC000739030633 572409546 /nfs/dbraw/zinc/40/95/46/572409546.db2.gz ARERTDYYWARIOW-AAEUAGOBSA-N -1 3 296.798 3.208 20 0 CGADHM CC[C@@H](c1ccc(F)cc1)N1CCC[C@H](CNC(=O)[O-])C1 ZINC000739278844 572540444 /nfs/dbraw/zinc/54/04/44/572540444.db2.gz OIWNTMJUKRXNDL-DOMZBBRYSA-N -1 3 294.370 3.256 20 0 CGADHM CC[C@H](c1ccc(F)cc1)N1CCC(NC(=O)[O-])CC1 ZINC000739279543 572541043 /nfs/dbraw/zinc/54/10/43/572541043.db2.gz RUJSZAMMXFIHQI-CQSZACIVSA-N -1 3 280.343 3.009 20 0 CGADHM O=c1ccnc(C=Cc2cc(Br)cs2)[n-]1 ZINC000742220804 572559331 /nfs/dbraw/zinc/55/93/31/572559331.db2.gz ULXNTXPKMQPPDD-UPHRSURJSA-N -1 3 283.150 3.177 20 0 CGADHM Cc1ccc(-c2cc(C(=O)OCc3ccoc3C)[n-]n2)o1 ZINC000733700447 572596987 /nfs/dbraw/zinc/59/69/87/572596987.db2.gz XKDZOVGNELDNFG-UHFFFAOYSA-N -1 3 286.287 3.237 20 0 CGADHM Cc1ccc(-c2cc(C(=O)OCc3ccoc3C)n[n-]2)o1 ZINC000733700447 572596990 /nfs/dbraw/zinc/59/69/90/572596990.db2.gz XKDZOVGNELDNFG-UHFFFAOYSA-N -1 3 286.287 3.237 20 0 CGADHM C[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)cc2)C[C@@H](C)C1 ZINC000736222822 572773608 /nfs/dbraw/zinc/77/36/08/572773608.db2.gz FYICFZRIJXDHJO-YABSGUDNSA-N -1 3 271.368 3.103 20 0 CGADHM C[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)cc2)C[C@@H](C)C1 ZINC000736222822 572773611 /nfs/dbraw/zinc/77/36/11/572773611.db2.gz FYICFZRIJXDHJO-YABSGUDNSA-N -1 3 271.368 3.103 20 0 CGADHM C[C@@H]1CCC[C@H]1Nc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000736263385 572778073 /nfs/dbraw/zinc/77/80/73/572778073.db2.gz PUKGOYWWALXSFS-LDYMZIIASA-N -1 3 277.759 3.121 20 0 CGADHM C[C@@H]1CCC[C@H]1Nc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000736263385 572778077 /nfs/dbraw/zinc/77/80/77/572778077.db2.gz PUKGOYWWALXSFS-LDYMZIIASA-N -1 3 277.759 3.121 20 0 CGADHM C[C@@]1(NCc2ccoc2C(=O)[O-])CCCc2ccccc21 ZINC000736738540 572807427 /nfs/dbraw/zinc/80/74/27/572807427.db2.gz OALWUAZNOWCWSQ-QGZVFWFLSA-N -1 3 285.343 3.319 20 0 CGADHM C[C@@H]1Cc2ccccc2CN1Cc1ccc(C(=O)[O-])cc1 ZINC000736823110 572819018 /nfs/dbraw/zinc/81/90/18/572819018.db2.gz AHWKDBHBAFBGIB-CYBMUJFWSA-N -1 3 281.355 3.332 20 0 CGADHM CN(c1ccc(Cl)cc1-c1nnn[n-]1)C1CCCCC1 ZINC000736841617 572820969 /nfs/dbraw/zinc/82/09/69/572820969.db2.gz GDKJMHYKRWUKFO-UHFFFAOYSA-N -1 3 291.786 3.289 20 0 CGADHM CN(c1ccc(Cl)cc1-c1nn[n-]n1)C1CCCCC1 ZINC000736841617 572820970 /nfs/dbraw/zinc/82/09/70/572820970.db2.gz GDKJMHYKRWUKFO-UHFFFAOYSA-N -1 3 291.786 3.289 20 0 CGADHM COc1cccc(CN[C@H](C)CCC[C@H](C)C(=O)[O-])c1F ZINC000166024863 572834462 /nfs/dbraw/zinc/83/44/62/572834462.db2.gz FWUAERAKCPPYFX-NWDGAFQWSA-N -1 3 297.370 3.203 20 0 CGADHM O=C(OCc1cccc2c[nH]nc21)c1cc2ccsc2[n-]1 ZINC000745954695 572842547 /nfs/dbraw/zinc/84/25/47/572842547.db2.gz XOYXZJBSNASJBA-UHFFFAOYSA-N -1 3 297.339 3.463 20 0 CGADHM Cc1cc(C)c(-c2nnn[n-]2)c(S[C@@H]2C=CCCC2)n1 ZINC000737239561 572866818 /nfs/dbraw/zinc/86/68/18/572866818.db2.gz DLZZZKHYOUKVRM-LLVKDONJSA-N -1 3 287.392 3.079 20 0 CGADHM Cc1cc(C)c(-c2nn[n-]n2)c(S[C@@H]2C=CCCC2)n1 ZINC000737239561 572866821 /nfs/dbraw/zinc/86/68/21/572866821.db2.gz DLZZZKHYOUKVRM-LLVKDONJSA-N -1 3 287.392 3.079 20 0 CGADHM C[C@H](COC(=O)c1ccc(Cl)cc1[O-])C(F)(F)F ZINC000748217246 572967739 /nfs/dbraw/zinc/96/77/39/572967739.db2.gz ONJXNSRXSBBLSE-ZCFIWIBFSA-N -1 3 282.645 3.401 20 0 CGADHM Cc1noc([N-]C(=O)C(F)(F)c2ccccc2)c1C ZINC000748359839 572975070 /nfs/dbraw/zinc/97/50/70/572975070.db2.gz AVODDEZASGYARB-UHFFFAOYSA-N -1 3 266.247 3.022 20 0 CGADHM CCC[C@H]1CCCC[C@H]1[N-]C(=O)C(F)(F)C(F)F ZINC000749375162 572995498 /nfs/dbraw/zinc/99/54/98/572995498.db2.gz FASSTWVFIBGAOI-DTWKUNHWSA-N -1 3 269.282 3.362 20 0 CGADHM CC[C@H]1CCCCN1c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820979084 607301993 /nfs/dbraw/zinc/30/19/93/607301993.db2.gz FGIRHYIIKKUCCE-JTQLQIEISA-N -1 3 291.786 3.289 20 0 CGADHM CC[C@H]1CCCCN1c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820979084 607301994 /nfs/dbraw/zinc/30/19/94/607301994.db2.gz FGIRHYIIKKUCCE-JTQLQIEISA-N -1 3 291.786 3.289 20 0 CGADHM O=C([O-])c1ccc(CN[C@H]2CCc3ccc(F)cc32)cc1 ZINC000819676045 597483830 /nfs/dbraw/zinc/48/38/30/597483830.db2.gz AUOWQUZYOMXEOM-INIZCTEOSA-N -1 3 285.318 3.301 20 0 CGADHM C[C@H](NCc1ccc(C(=O)[O-])cc1)c1ccccc1N(C)C ZINC000820141865 598136952 /nfs/dbraw/zinc/13/69/52/598136952.db2.gz JRFJYOKVRQUNFU-ZDUSSCGKSA-N -1 3 298.386 3.302 20 0 CGADHM C[C@H](NCc1cccc(C(=O)[O-])c1)c1ccc(F)cc1 ZINC000235517011 598191939 /nfs/dbraw/zinc/19/19/39/598191939.db2.gz LPAPULRTWLBNIK-NSHDSACASA-N -1 3 273.307 3.375 20 0 CGADHM CC(C)[C@H](NCc1cccc(C(=O)[O-])c1)c1cccnc1 ZINC000819961687 598192179 /nfs/dbraw/zinc/19/21/79/598192179.db2.gz ARYJEENFXLAFRU-INIZCTEOSA-N -1 3 284.359 3.267 20 0 CGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)CC1=CCCCC1 ZINC000737290171 598395965 /nfs/dbraw/zinc/39/59/65/598395965.db2.gz CJSYNTVBWSTVHS-UHFFFAOYSA-N -1 3 297.362 3.004 20 0 CGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)CC1=CCCCC1 ZINC000737290171 598395967 /nfs/dbraw/zinc/39/59/67/598395967.db2.gz CJSYNTVBWSTVHS-UHFFFAOYSA-N -1 3 297.362 3.004 20 0 CGADHM Cc1ccc([C@@H](C)Nc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000822229015 599486552 /nfs/dbraw/zinc/48/65/52/599486552.db2.gz KMXVCQIKFHBRCI-LLVKDONJSA-N -1 3 297.337 3.487 20 0 CGADHM Cc1ccc([C@@H](C)Nc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000822229015 599486555 /nfs/dbraw/zinc/48/65/55/599486555.db2.gz KMXVCQIKFHBRCI-LLVKDONJSA-N -1 3 297.337 3.487 20 0 CGADHM CC(C)[C@H](NCc1cc(C(=O)[O-])co1)c1ccccc1 ZINC000228160571 599845773 /nfs/dbraw/zinc/84/57/73/599845773.db2.gz SGXDMPMXHBLDJS-HNNXBMFYSA-N -1 3 273.332 3.465 20 0 CGADHM CCC[C@](C)(NCc1coc(-c2cccs2)n1)C(=O)[O-] ZINC000036808392 600155498 /nfs/dbraw/zinc/15/54/98/600155498.db2.gz ZQDJXKHXLLPJLV-AWEZNQCLSA-N -1 3 294.376 3.136 20 0 CGADHM CCCCN1Cc2cccc(N[C@@H](CC)C(=O)[O-])c2C1 ZINC000736995708 600156068 /nfs/dbraw/zinc/15/60/68/600156068.db2.gz PXSIFTDNJTZTII-AWEZNQCLSA-N -1 3 276.380 3.077 20 0 CGADHM CC[C@@](C)(NCc1csc(-c2ccsc2)n1)C(=O)[O-] ZINC000094228048 600561114 /nfs/dbraw/zinc/56/11/14/600561114.db2.gz CXKJYEXPEOVBKL-CYBMUJFWSA-N -1 3 296.417 3.215 20 0 CGADHM CCN(CC)[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000037361387 600983358 /nfs/dbraw/zinc/98/33/58/600983358.db2.gz HWMURUXZCCWJHG-LLVKDONJSA-N -1 3 276.163 3.461 20 0 CGADHM C/C(=C\CN(C)Cc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000825729688 601157348 /nfs/dbraw/zinc/15/73/48/601157348.db2.gz KLWQDUILFMQIJC-UXBLZVDNSA-N -1 3 287.281 3.168 20 0 CGADHM C[C@H](c1ccc(F)c(Cl)c1)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000227817776 601508250 /nfs/dbraw/zinc/50/82/50/601508250.db2.gz JMMKBRFTJACPCY-FXPVBKGRSA-N -1 3 285.746 3.193 20 0 CGADHM CSc1ccc(-n2[n-]c(C)c(C(C)C)c2=O)cc1 ZINC000899349159 620653449 /nfs/dbraw/zinc/65/34/49/620653449.db2.gz WMUJDYYQZRPWKG-CYBMUJFWSA-N -1 3 262.378 3.403 20 0 CGADHM CCCCc1nc(CN[C@H](C(=O)[O-])C(C)(C)C)cs1 ZINC000829441670 602224787 /nfs/dbraw/zinc/22/47/87/602224787.db2.gz WXFJYCIPMKLLSR-GFCCVEGCSA-N -1 3 284.425 3.075 20 0 CGADHM CC(C)c1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000095201672 607644066 /nfs/dbraw/zinc/64/40/66/607644066.db2.gz JVQRFRODEXDMCX-UHFFFAOYSA-N -1 3 271.349 3.114 20 0 CGADHM CC(C)c1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000095201672 607644068 /nfs/dbraw/zinc/64/40/68/607644068.db2.gz JVQRFRODEXDMCX-UHFFFAOYSA-N -1 3 271.349 3.114 20 0 CGADHM C[C@H](NCC1(NC(=O)[O-])CCCCCC1)c1cncs1 ZINC000825483801 604264372 /nfs/dbraw/zinc/26/43/72/604264372.db2.gz APUAGWPGZMKZLI-NSHDSACASA-N -1 3 297.424 3.154 20 0 CGADHM Cc1ccc([C@@H](C)NC[C@H](NC(=O)[O-])c2ccccc2)o1 ZINC000830256322 604380637 /nfs/dbraw/zinc/38/06/37/604380637.db2.gz IAKWFWFUWXTCQP-OCCSQVGLSA-N -1 3 288.347 3.248 20 0 CGADHM CC(C)N(CCC(=O)[O-])Cc1cccc(F)c1Cl ZINC000166454958 604907805 /nfs/dbraw/zinc/90/78/05/604907805.db2.gz IRENDGTWWORUIA-UHFFFAOYSA-N -1 3 273.735 3.164 20 0 CGADHM CC(C)N(Cc1ccc(C(=O)[O-])[nH]1)Cc1ccc(F)cc1 ZINC000833496330 605103496 /nfs/dbraw/zinc/10/34/96/605103496.db2.gz GPXJEIZFJHFNAX-UHFFFAOYSA-N -1 3 290.338 3.263 20 0 CGADHM C[C@@H]1CC[C@H](N[C@@H](C(=O)[O-])c2cccnc2)c2ccccc21 ZINC000833605280 605141937 /nfs/dbraw/zinc/14/19/37/605141937.db2.gz YIZMBPCBEJTFQB-OAUYIBNBSA-N -1 3 296.370 3.436 20 0 CGADHM CC(C)[C@H](Nc1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC000820026078 606027822 /nfs/dbraw/zinc/02/78/22/606027822.db2.gz HEKRLZUCOSJJTA-HNNXBMFYSA-N -1 3 294.362 3.071 20 0 CGADHM CC(C)[C@H](Nc1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC000820026078 606027829 /nfs/dbraw/zinc/02/78/29/606027829.db2.gz HEKRLZUCOSJJTA-HNNXBMFYSA-N -1 3 294.362 3.071 20 0 CGADHM COCC[C@@H](C)S[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821685450 606694891 /nfs/dbraw/zinc/69/48/91/606694891.db2.gz DFIAWEIZVCWUHF-GHMZBOCLSA-N -1 3 292.408 3.086 20 0 CGADHM COCC[C@@H](C)S[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821685450 606694892 /nfs/dbraw/zinc/69/48/92/606694892.db2.gz DFIAWEIZVCWUHF-GHMZBOCLSA-N -1 3 292.408 3.086 20 0 CGADHM CC[C@@H](C)CSCc1cc(-c2nnn[n-]2)ccc1F ZINC000820868536 606795766 /nfs/dbraw/zinc/79/57/66/606795766.db2.gz ABABPJLNVRYKSE-SECBINFHSA-N -1 3 280.372 3.285 20 0 CGADHM CC[C@@H](C)CSCc1cc(-c2nn[n-]n2)ccc1F ZINC000820868536 606795767 /nfs/dbraw/zinc/79/57/67/606795767.db2.gz ABABPJLNVRYKSE-SECBINFHSA-N -1 3 280.372 3.285 20 0 CGADHM c1cc(S[C@H]2C=CCCC2)cc(-c2nnn[n-]2)c1 ZINC000819718240 607010947 /nfs/dbraw/zinc/01/09/47/607010947.db2.gz BQRANSZSSCFHPO-NSHDSACASA-N -1 3 258.350 3.068 20 0 CGADHM c1cc(S[C@H]2C=CCCC2)cc(-c2nn[n-]n2)c1 ZINC000819718240 607010949 /nfs/dbraw/zinc/01/09/49/607010949.db2.gz BQRANSZSSCFHPO-NSHDSACASA-N -1 3 258.350 3.068 20 0 CGADHM C(=Cc1ccccc1-c1nnn[n-]1)c1nc2ccccc2o1 ZINC000823861889 607883042 /nfs/dbraw/zinc/88/30/42/607883042.db2.gz SJEONAQGVAHEHX-KTKRTIGZSA-N -1 3 289.298 3.178 20 0 CGADHM C(=Cc1ccccc1-c1nn[n-]n1)c1nc2ccccc2o1 ZINC000823861889 607883043 /nfs/dbraw/zinc/88/30/43/607883043.db2.gz SJEONAQGVAHEHX-KTKRTIGZSA-N -1 3 289.298 3.178 20 0 CGADHM CC(C)(C)c1ccc(Cn2ccc(-c3nnn[n-]3)c2)cc1 ZINC000824136671 607890044 /nfs/dbraw/zinc/89/00/44/607890044.db2.gz USKQSORKKMCMRW-UHFFFAOYSA-N -1 3 281.363 3.014 20 0 CGADHM CC(C)(C)c1ccc(Cn2ccc(-c3nn[n-]n3)c2)cc1 ZINC000824136671 607890045 /nfs/dbraw/zinc/89/00/45/607890045.db2.gz USKQSORKKMCMRW-UHFFFAOYSA-N -1 3 281.363 3.014 20 0 CGADHM Cc1cccc(C)c1NCc1cccc(-c2nnn[n-]2)c1F ZINC000826296741 608479142 /nfs/dbraw/zinc/47/91/42/608479142.db2.gz HPRBGEMMNZJPDT-UHFFFAOYSA-N -1 3 297.337 3.235 20 0 CGADHM Cc1cccc(C)c1NCc1cccc(-c2nn[n-]n2)c1F ZINC000826296741 608479144 /nfs/dbraw/zinc/47/91/44/608479144.db2.gz HPRBGEMMNZJPDT-UHFFFAOYSA-N -1 3 297.337 3.235 20 0 CGADHM C[C@@H]1c2ccccc2CN1Cc1cc(-c2nnn[n-]2)cs1 ZINC000825029555 608709519 /nfs/dbraw/zinc/70/95/19/608709519.db2.gz WDVQBMLYVVGCBM-SNVBAGLBSA-N -1 3 297.387 3.005 20 0 CGADHM C[C@@H]1c2ccccc2CN1Cc1cc(-c2nn[n-]n2)cs1 ZINC000825029555 608709520 /nfs/dbraw/zinc/70/95/20/608709520.db2.gz WDVQBMLYVVGCBM-SNVBAGLBSA-N -1 3 297.387 3.005 20 0 CGADHM CCCC(=CC(=O)Nc1cccc(-c2nnn[n-]2)c1)CCC ZINC000770622600 608875684 /nfs/dbraw/zinc/87/56/84/608875684.db2.gz XXRBWANNOOGAQS-UHFFFAOYSA-N -1 3 299.378 3.332 20 0 CGADHM CCCC(=CC(=O)Nc1cccc(-c2nn[n-]n2)c1)CCC ZINC000770622600 608875691 /nfs/dbraw/zinc/87/56/91/608875691.db2.gz XXRBWANNOOGAQS-UHFFFAOYSA-N -1 3 299.378 3.332 20 0 CGADHM Cc1ccnc(Nc2ccc(C3CC3)cc2)c1-c1nnn[n-]1 ZINC000826315109 609585039 /nfs/dbraw/zinc/58/50/39/609585039.db2.gz YMCKFNOWDTZDCB-UHFFFAOYSA-N -1 3 292.346 3.191 20 0 CGADHM Cc1ccnc(Nc2ccc(C3CC3)cc2)c1-c1nn[n-]n1 ZINC000826315109 609585040 /nfs/dbraw/zinc/58/50/40/609585040.db2.gz YMCKFNOWDTZDCB-UHFFFAOYSA-N -1 3 292.346 3.191 20 0 CGADHM Cc1ccoc1C[N-]C(=O)C(F)(F)c1ccccc1F ZINC000813834668 617994598 /nfs/dbraw/zinc/99/45/98/617994598.db2.gz FLYKZTZAHIKRRK-UHFFFAOYSA-N -1 3 283.249 3.135 20 0 CGADHM Cc1nc(NC[C@H]2CCCO[C@@H]2c2ccccc2)cc(=O)[n-]1 ZINC000891997562 618480209 /nfs/dbraw/zinc/48/02/09/618480209.db2.gz HOLWWCKTQFAKTM-RHSMWYFYSA-N -1 3 299.374 3.070 20 0 CGADHM C[C@@H]1CCCN(C(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000280007530 618761091 /nfs/dbraw/zinc/76/10/91/618761091.db2.gz PULMLBMZQGOPLG-GFCCVEGCSA-N -1 3 269.344 3.418 20 0 CGADHM CCO[N-]C(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000066312780 618840105 /nfs/dbraw/zinc/84/01/05/618840105.db2.gz LOZMXJWMMOGWOG-VIFPVBQESA-N -1 3 275.270 3.267 20 0 CGADHM CC(C)OCCOC(=O)c1cccc2[n-]c(C(F)F)nc21 ZINC000924085568 618933729 /nfs/dbraw/zinc/93/37/29/618933729.db2.gz KJZRCCMZKNZQSN-UHFFFAOYSA-N -1 3 298.289 3.082 20 0 CGADHM CCCCn1ncc(NCc2ccc([O-])c(F)c2)c1C ZINC000893296181 619074525 /nfs/dbraw/zinc/07/45/25/619074525.db2.gz VZKIVVKBQTUFKO-UHFFFAOYSA-N -1 3 277.343 3.448 20 0 CGADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@@H]1C[C@H]2CCC[C@@H]21 ZINC000889603005 619554198 /nfs/dbraw/zinc/55/41/98/619554198.db2.gz JHRCKFSTJSOBDC-VNHYZAJKSA-N -1 3 291.366 3.159 20 0 CGADHM O=C([N-]Cc1ccccn1)C(F)(F)c1cccc(Cl)c1 ZINC000049287625 619725111 /nfs/dbraw/zinc/72/51/11/619725111.db2.gz TZFMWDMNGRDQEJ-UHFFFAOYSA-N -1 3 296.704 3.143 20 0 CGADHM CC[C@@H](CC(=O)[N-]OCCSC)c1ccc(C)cc1 ZINC000794187731 619739454 /nfs/dbraw/zinc/73/94/54/619739454.db2.gz IWTOVTBNLNERPH-ZDUSSCGKSA-N -1 3 281.421 3.290 20 0 CGADHM CCOc1cc(CN2CC[C@H]2C(F)F)cc(Cl)c1[O-] ZINC000895433135 619825997 /nfs/dbraw/zinc/82/59/97/619825997.db2.gz UDNRSUNDBILAFK-JTQLQIEISA-N -1 3 291.725 3.284 20 0 CGADHM [O-]c1ccc(F)c(CNC[C@@H]2CCC3(CCC3)CO2)c1F ZINC000895808723 619887260 /nfs/dbraw/zinc/88/72/60/619887260.db2.gz AFDMKPUTLBCASR-NSHDSACASA-N -1 3 297.345 3.109 20 0 CGADHM [O-]c1ccccc1-c1nc([C@@H]2CC2(Cl)Cl)no1 ZINC000896806342 620067304 /nfs/dbraw/zinc/06/73/04/620067304.db2.gz JLHMDMXICQPXOD-ZETCQYMHSA-N -1 3 271.103 3.103 20 0 CGADHM O=C(CCc1ccc(F)cc1)[N-]OCCCC(F)(F)F ZINC000871210482 620241160 /nfs/dbraw/zinc/24/11/60/620241160.db2.gz MDHNHHQQISDEDU-UHFFFAOYSA-N -1 3 293.260 3.149 20 0 CGADHM C[C@@H]1[C@@H](C(F)(F)F)CCN1Cc1ccc(C(=O)[O-])cc1 ZINC000263447665 620319950 /nfs/dbraw/zinc/31/99/50/620319950.db2.gz YIDFKBSBKUTXBH-SKDRFNHKSA-N -1 3 287.281 3.158 20 0 CGADHM CCN(CCC(=O)[O-])Cc1ccc(CSC(F)F)o1 ZINC000901604777 620950328 /nfs/dbraw/zinc/95/03/28/620950328.db2.gz AIRBVORPMFYVFS-UHFFFAOYSA-N -1 3 293.335 3.032 20 0 CGADHM O=C([O-])c1ccc(CNCCSCc2ccccc2)o1 ZINC000901661484 620970822 /nfs/dbraw/zinc/97/08/22/620970822.db2.gz LUGWOYSUJVOHCX-UHFFFAOYSA-N -1 3 291.372 3.001 20 0 CGADHM COC[C@H](CC(C)(C)C)NCc1ccc(C(=O)[O-])cc1F ZINC000901757705 621014758 /nfs/dbraw/zinc/01/47/58/621014758.db2.gz IUIKENUSTRRMRG-ZDUSSCGKSA-N -1 3 297.370 3.065 20 0 CGADHM Cc1ccc(CNCc2ccc(O[C@H](C)C(=O)[O-])cc2)cc1 ZINC000902060082 621132802 /nfs/dbraw/zinc/13/28/02/621132802.db2.gz KOMWBVQDRRMZHO-CQSZACIVSA-N -1 3 299.370 3.137 20 0 CGADHM Cc1oc(C(=O)[O-])cc1CN[C@H]1CCc2cc(C)ccc21 ZINC000902177584 621175808 /nfs/dbraw/zinc/17/58/08/621175808.db2.gz ZYHWAYHLOYAEQG-HNNXBMFYSA-N -1 3 285.343 3.372 20 0 CGADHM O=C([O-])c1cccc(CN[C@@H](c2ccccc2)C2CCC2)n1 ZINC000902226623 621200389 /nfs/dbraw/zinc/20/03/89/621200389.db2.gz XNRALHPOYBGWAP-KRWDZBQOSA-N -1 3 296.370 3.411 20 0 CGADHM CC(C)(F)CNCc1ccc(C(=O)[O-])cc1C(F)(F)F ZINC000902277815 621240716 /nfs/dbraw/zinc/24/07/16/621240716.db2.gz ZAIGOOMGKOKWHU-UHFFFAOYSA-N -1 3 293.260 3.241 20 0 CGADHM O=C([O-])c1coc(CN[C@@H]2C[C@H]2C2CCCCC2)c1 ZINC000902421870 621312243 /nfs/dbraw/zinc/31/22/43/621312243.db2.gz JIEOKGGMHBSFCP-UONOGXRCSA-N -1 3 263.337 3.036 20 0 CGADHM C[C@@H](c1cc(F)ccc1F)N(C)CCC(C)(C)C(=O)[O-] ZINC000902509943 621349875 /nfs/dbraw/zinc/34/98/75/621349875.db2.gz MFZYQBXQFNXTHA-JTQLQIEISA-N -1 3 285.334 3.459 20 0 CGADHM O=C([O-])c1ccc(CN[C@H](c2cccnc2)C2CC2)s1 ZINC000903682740 621787736 /nfs/dbraw/zinc/78/77/36/621787736.db2.gz YJOFWOQYIHJNMJ-AWEZNQCLSA-N -1 3 288.372 3.082 20 0 CGADHM O=C([O-])C1(CCN2CCc3[nH]c4ccccc4c3C2)CCC1 ZINC000903703154 621793191 /nfs/dbraw/zinc/79/31/91/621793191.db2.gz TXAQEDDMWGFXIG-UHFFFAOYSA-N -1 3 298.386 3.171 20 0 CGADHM CC(C)CC1(C)CCN(Cc2cncc(C(=O)[O-])c2)CC1 ZINC000903907879 621832173 /nfs/dbraw/zinc/83/21/73/621832173.db2.gz VZOKXBYXSZZSCF-UHFFFAOYSA-N -1 3 290.407 3.428 20 0 CGADHM CSCC1CCN([C@H](C)c2cc(C)c(C(=O)[O-])o2)CC1 ZINC000903917831 621836309 /nfs/dbraw/zinc/83/63/09/621836309.db2.gz YSBOUFMPWJOWLU-LLVKDONJSA-N -1 3 297.420 3.422 20 0 CGADHM CCCCC[C@H](C)NC(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000055184735 622815564 /nfs/dbraw/zinc/81/55/64/622815564.db2.gz TUGYLTJGOPSMES-NSHDSACASA-N -1 3 292.379 3.049 20 0 CGADHM CC(C)CO[N-]C(=O)C1(Cc2ccccc2)CCC1 ZINC000156393849 622816869 /nfs/dbraw/zinc/81/68/69/622816869.db2.gz XJBIASAFNCGYII-UHFFFAOYSA-N -1 3 261.365 3.103 20 0 CGADHM CC[C@]1(C(=O)[O-])CCCN(Cc2ccc(F)cc2F)C1 ZINC000062877136 623272283 /nfs/dbraw/zinc/27/22/83/623272283.db2.gz BKTHZGXVDZDRAC-HNNXBMFYSA-N -1 3 283.318 3.042 20 0 CGADHM CCC(CC)(CNC(=O)c1ccccc1[O-])SC ZINC000231678753 623339077 /nfs/dbraw/zinc/33/90/77/623339077.db2.gz JQTBMAARVOKWFW-UHFFFAOYSA-N -1 3 267.394 3.044 20 0 CGADHM O=C([O-])c1ccccc1CN1CCC[C@H](C(F)(F)F)C1 ZINC000088431546 623448038 /nfs/dbraw/zinc/44/80/38/623448038.db2.gz CPBZSQSLCFDYTJ-NSHDSACASA-N -1 3 287.281 3.159 20 0 CGADHM O=C(NC[C@@H]1C=CCC1)c1cc2sccc2c([O-])c1 ZINC000914286253 623702149 /nfs/dbraw/zinc/70/21/49/623702149.db2.gz YCUKMSUYNPNVTM-SNVBAGLBSA-N -1 3 273.357 3.303 20 0 CGADHM O=C(Nc1ccc(Cl)cc1[O-])c1ccc(Cl)nc1 ZINC000153466508 623892862 /nfs/dbraw/zinc/89/28/62/623892862.db2.gz KRISXHGLCLCULI-UHFFFAOYSA-N -1 3 283.114 3.346 20 0 CGADHM CC(C)CO[N-]C(=O)C[C@@H](C)c1ccc(F)cc1 ZINC000153653053 624010764 /nfs/dbraw/zinc/01/07/64/624010764.db2.gz XXWWDUAMPIVTRE-LLVKDONJSA-N -1 3 253.317 3.023 20 0 CGADHM CCCc1ccc(NC([O-])=NO[C@H]2CCCCO2)cc1 ZINC000153901878 624124456 /nfs/dbraw/zinc/12/44/56/624124456.db2.gz PBJIOFGWHQMVKP-AWEZNQCLSA-N -1 3 278.352 3.219 20 0 CGADHM CCCc1ccc(NC(=O)[N-]O[C@H]2CCCCO2)cc1 ZINC000153901878 624124468 /nfs/dbraw/zinc/12/44/68/624124468.db2.gz PBJIOFGWHQMVKP-AWEZNQCLSA-N -1 3 278.352 3.219 20 0 CGADHM Cc1ccc(C(=O)N2CCOc3cc(C)ccc32)c([O-])c1 ZINC000154736728 624349026 /nfs/dbraw/zinc/34/90/26/624349026.db2.gz OPIYFYFQXXZTEV-UHFFFAOYSA-N -1 3 283.327 3.048 20 0 CGADHM Cc1ccc(-c2cc(C(=O)OCc3cccs3)n[n-]2)o1 ZINC000919326205 624401602 /nfs/dbraw/zinc/40/16/02/624401602.db2.gz QTIRUZFQBWSJHO-UHFFFAOYSA-N -1 3 288.328 3.397 20 0 CGADHM Cc1ccc(-c2cc(C(=O)OCc3cccs3)[n-]n2)o1 ZINC000919326205 624401608 /nfs/dbraw/zinc/40/16/08/624401608.db2.gz QTIRUZFQBWSJHO-UHFFFAOYSA-N -1 3 288.328 3.397 20 0 CGADHM O=C([N-]c1ccc(F)c(F)c1F)c1scnc1Cl ZINC000920078667 624443675 /nfs/dbraw/zinc/44/36/75/624443675.db2.gz PCNYYAXGWBEHKY-UHFFFAOYSA-N -1 3 292.669 3.466 20 0 CGADHM Cc1cccc([O-])c1NC(=O)/C=C/c1ccccc1C#N ZINC000183036665 625042987 /nfs/dbraw/zinc/04/29/87/625042987.db2.gz RCFSBCVYXSULQX-MDZDMXLPSA-N -1 3 278.311 3.224 20 0 CGADHM O=C(Cc1cccc(Cl)c1)[N-]OCc1ccc(F)cc1 ZINC000184144975 625204761 /nfs/dbraw/zinc/20/47/61/625204761.db2.gz SPIKCXANGJCDHX-UHFFFAOYSA-N -1 3 293.725 3.270 20 0 CGADHM Cc1ccc(C(=O)NNc2c(F)cccc2Cl)c([O-])c1 ZINC000184668187 625261981 /nfs/dbraw/zinc/26/19/81/625261981.db2.gz GEONGKQFPDMNSX-UHFFFAOYSA-N -1 3 294.713 3.250 20 0 CGADHM COc1ccc(C(=O)N2Cc3ccccc3[C@H](C)C2)c([O-])c1 ZINC000922245094 625988901 /nfs/dbraw/zinc/98/89/01/625988901.db2.gz RZWAIIRPZXRVMX-GFCCVEGCSA-N -1 3 297.354 3.160 20 0 CGADHM O=c1ccnc(C=Cc2ccccc2OC(F)(F)F)[n-]1 ZINC000742221601 626175306 /nfs/dbraw/zinc/17/53/06/626175306.db2.gz PLYBXQGVJUKLKP-WAYWQWQTSA-N -1 3 282.221 3.251 20 0 CGADHM Cc1cccc2sc(NC(=O)c3ccc(N)cc3[O-])nc21 ZINC000751243427 626382533 /nfs/dbraw/zinc/38/25/33/626382533.db2.gz PXLAUXPCLNCMMM-UHFFFAOYSA-N -1 3 299.355 3.145 20 0 CGADHM CCCCCCC(=O)[N-]OCc1ccc(F)cc1 ZINC000754722739 626584511 /nfs/dbraw/zinc/58/45/11/626584511.db2.gz FEEPNIOBDJKWKW-UHFFFAOYSA-N -1 3 253.317 3.344 20 0 CGADHM CC/C(=C/C(=O)[N-]OCC(F)F)c1ccc(C)cc1 ZINC000759340647 626889250 /nfs/dbraw/zinc/88/92/50/626889250.db2.gz ZARZFWFPHBNKBZ-FLIBITNWSA-N -1 3 269.291 3.101 20 0 CGADHM Cc1cc(=O)[n-]c(CSc2ncc(C(C)(C)C)o2)n1 ZINC000761883732 627070946 /nfs/dbraw/zinc/07/09/46/627070946.db2.gz JQUTYWNULGKELR-UHFFFAOYSA-N -1 3 279.365 3.068 20 0 CGADHM O=c1ccnc(C=Cc2coc(-c3ccccc3)n2)[n-]1 ZINC000764435507 627207471 /nfs/dbraw/zinc/20/74/71/627207471.db2.gz NQIHIFMZHHLRFP-SREVYHEPSA-N -1 3 265.272 3.008 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)Sc2ncnc3ccccc32)n1 ZINC000767939107 627445264 /nfs/dbraw/zinc/44/52/64/627445264.db2.gz MBLYCAQAGNHOSM-JTQLQIEISA-N -1 3 298.371 3.287 20 0 CGADHM CS[C@@H](C)CCOC(=O)c1cc(-c2ccc(C)o2)[n-]n1 ZINC000835663048 634578527 /nfs/dbraw/zinc/57/85/27/634578527.db2.gz HCINDSVVAREVER-JTQLQIEISA-N -1 3 294.376 3.277 20 0 CGADHM CS[C@@H](C)CCOC(=O)c1cc(-c2ccc(C)o2)n[n-]1 ZINC000835663048 634578532 /nfs/dbraw/zinc/57/85/32/634578532.db2.gz HCINDSVVAREVER-JTQLQIEISA-N -1 3 294.376 3.277 20 0 CGADHM CC(C)[C@@H]1CCC[C@H]([N-]C(=O)C(F)(F)F)CC1 ZINC000769634848 627570431 /nfs/dbraw/zinc/57/04/31/627570431.db2.gz VGQOGCOCLMIVRT-ZJUUUORDSA-N -1 3 251.292 3.270 20 0 CGADHM CC(C)[C@@H](CC(=O)[N-]OC1CCOCC1)c1ccccc1 ZINC000772710806 627816762 /nfs/dbraw/zinc/81/67/62/627816762.db2.gz GZWBRDTVHNOCDY-MRXNPFEDSA-N -1 3 291.391 3.043 20 0 CGADHM O=C([N-]Oc1ccccc1)c1c(F)cccc1Cl ZINC000773471940 627887869 /nfs/dbraw/zinc/88/78/69/627887869.db2.gz UAFWWJMKKGVBFU-UHFFFAOYSA-N -1 3 265.671 3.203 20 0 CGADHM CSc1ccccc1[N-]C(=O)c1cnc([C@@H](C)O)s1 ZINC000773747997 627910518 /nfs/dbraw/zinc/91/05/18/627910518.db2.gz KHTZKPDWWLGACR-MRVPVSSYSA-N -1 3 294.401 3.171 20 0 CGADHM C[C@@H]1COCC[C@H]1OC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000835771579 634625156 /nfs/dbraw/zinc/62/51/56/634625156.db2.gz OCZYDINTQZCAAX-GMSGAONNSA-N -1 3 299.779 3.465 20 0 CGADHM Cc1cnc([C@H](C)OC(=O)c2cccc(Cl)c2[O-])o1 ZINC000775935292 628151440 /nfs/dbraw/zinc/15/14/40/628151440.db2.gz JTVQBAMWTJYLJP-QMMMGPOBSA-N -1 3 281.695 3.260 20 0 CGADHM O=C(OCc1ccc(C2CCCCC2)cc1)c1cnn[n-]1 ZINC000805606475 628347820 /nfs/dbraw/zinc/34/78/20/628347820.db2.gz XZWGDIVJQQGGTF-UHFFFAOYSA-N -1 3 285.347 3.209 20 0 CGADHM O=C(OCc1ccc(C2CCCCC2)cc1)c1c[n-]nn1 ZINC000805606475 628347824 /nfs/dbraw/zinc/34/78/24/628347824.db2.gz XZWGDIVJQQGGTF-UHFFFAOYSA-N -1 3 285.347 3.209 20 0 CGADHM O=C(Nc1cccc([O-])c1F)[C@H](F)Cc1ccccc1 ZINC000778404486 628349528 /nfs/dbraw/zinc/34/95/28/628349528.db2.gz BNBHOBYLWMRBPT-LLVKDONJSA-N -1 3 277.270 3.051 20 0 CGADHM Cc1cncc(COC(=O)c2cc(F)cc(Cl)c2[O-])c1 ZINC000785680031 628879941 /nfs/dbraw/zinc/87/99/41/628879941.db2.gz SXWCINDMOBFOTJ-UHFFFAOYSA-N -1 3 295.697 3.245 20 0 CGADHM C[C@@H](OC(=O)c1cc2occc2[n-]1)C(=O)c1ccccc1 ZINC000786029982 628908230 /nfs/dbraw/zinc/90/82/30/628908230.db2.gz TZTYAHKKPYUNNC-SNVBAGLBSA-N -1 3 283.283 3.189 20 0 CGADHM O=C(OCCc1ccccc1)c1cc2occc2[n-]1 ZINC000786030737 628908556 /nfs/dbraw/zinc/90/85/56/628908556.db2.gz AIFDHWNPXGDPMO-UHFFFAOYSA-N -1 3 255.273 3.160 20 0 CGADHM O=C(OCC1CCOCC1)c1cc2sccc2c([O-])c1 ZINC000786132748 628915600 /nfs/dbraw/zinc/91/56/00/628915600.db2.gz XBKSWQKUFNXIRC-UHFFFAOYSA-N -1 3 292.356 3.190 20 0 CGADHM C[C@@H](OC(=O)c1ccc([O-])cc1)c1nc2ccccc2o1 ZINC000787973543 629036436 /nfs/dbraw/zinc/03/64/36/629036436.db2.gz BJKNQQMFIAQTPX-SNVBAGLBSA-N -1 3 283.283 3.451 20 0 CGADHM CCOC1CCN(C(=O)c2cc([O-])c3ccccc3c2)CC1 ZINC000792075247 629335177 /nfs/dbraw/zinc/33/51/77/629335177.db2.gz IUAHXHBIDAWUBX-UHFFFAOYSA-N -1 3 299.370 3.187 20 0 CGADHM O=C(c1cc([O-])c2ccccc2c1)N1CC2(CC(F)C2)C1 ZINC000792272053 629353426 /nfs/dbraw/zinc/35/34/26/629353426.db2.gz LPSCAEHUMBXKOB-UHFFFAOYSA-N -1 3 285.318 3.120 20 0 CGADHM O=C(NCC[C@@H]1CCCOC1)c1cc([O-])c2ccccc2c1 ZINC000862391592 629359643 /nfs/dbraw/zinc/35/96/43/629359643.db2.gz FKEMCCODURSKTB-ZDUSSCGKSA-N -1 3 299.370 3.092 20 0 CGADHM CCC[C@H](NC(=O)c1ccccc1[O-])[C@@H](O)c1ccccc1 ZINC000792579641 629368738 /nfs/dbraw/zinc/36/87/38/629368738.db2.gz RYVUBTFTMYHRHG-RDJZCZTQSA-N -1 3 299.370 3.024 20 0 CGADHM CCCCCC[C@H](C)C(=O)Nc1cnc(C(=O)OCC)[n-]1 ZINC000793963181 629508880 /nfs/dbraw/zinc/50/88/80/629508880.db2.gz FMSORTURHJHOBR-NSHDSACASA-N -1 3 295.383 3.131 20 0 CGADHM CCCCCC[C@H](C)C(=O)Nc1c[n-]c(C(=O)OCC)n1 ZINC000793963181 629508888 /nfs/dbraw/zinc/50/88/88/629508888.db2.gz FMSORTURHJHOBR-NSHDSACASA-N -1 3 295.383 3.131 20 0 CGADHM CC(C)c1ccc(OCCC(=O)[N-]OC/C=C\Cl)cc1 ZINC000794303520 629531863 /nfs/dbraw/zinc/53/18/63/629531863.db2.gz CTCURQDQPYTOJF-OQFOIZHKSA-N -1 3 297.782 3.379 20 0 CGADHM CCC(=O)c1ccccc1[N-]S(=O)(=O)C1=CCCCC1 ZINC000863429070 629567891 /nfs/dbraw/zinc/56/78/91/629567891.db2.gz KVAKGDVYHQCDBX-UHFFFAOYSA-N -1 3 293.388 3.479 20 0 CGADHM C/C(=C\CN1CCc2cc(C(F)(F)F)ccc2C1)C(=O)[O-] ZINC000863474136 629581281 /nfs/dbraw/zinc/58/12/81/629581281.db2.gz JPGGOTVKIYUYJJ-ONNFQVAWSA-N -1 3 299.292 3.094 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)CCc1ccccc1Cl ZINC000794848624 629587644 /nfs/dbraw/zinc/58/76/44/629587644.db2.gz DEFAFHNZDWXCPY-NSHDSACASA-N -1 3 269.772 3.367 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)/C=C/c1nc2ccccc2s1 ZINC000794855317 629589263 /nfs/dbraw/zinc/58/92/63/629589263.db2.gz ZPHTXAFUKJNBKD-ANYFNZRUSA-N -1 3 290.388 3.403 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)CCCc1ccsc1 ZINC000794861880 629590595 /nfs/dbraw/zinc/59/05/95/629590595.db2.gz BQSRLCVUQIXXHO-LLVKDONJSA-N -1 3 255.383 3.165 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)Cc1ccc(F)cc1Cl ZINC000794864417 629591564 /nfs/dbraw/zinc/59/15/64/629591564.db2.gz LOFDGWJMTHLACJ-SECBINFHSA-N -1 3 273.735 3.116 20 0 CGADHM O=C(C[C@@H]1CCC(F)(F)C1)[N-]OCc1ccccc1 ZINC000797797884 629984646 /nfs/dbraw/zinc/98/46/46/629984646.db2.gz KPQXOIMLBHBQTP-LBPRGKRZSA-N -1 3 269.291 3.060 20 0 CGADHM COc1cc(C(=O)O[C@@H]2CCCC2(C)C)cc(OC)c1[O-] ZINC000799501978 630193245 /nfs/dbraw/zinc/19/32/45/630193245.db2.gz BQCRKQSNKVPSDQ-CYBMUJFWSA-N -1 3 294.347 3.145 20 0 CGADHM O=C(OCc1ccncc1)c1cc(Cl)c(Cl)[n-]1 ZINC000803268893 630459299 /nfs/dbraw/zinc/45/92/99/630459299.db2.gz CUBMPAOXKDSMIK-UHFFFAOYSA-N -1 3 271.103 3.074 20 0 CGADHM Cc1cc(=O)[n-]c(CSC/C(Cl)=C/Cl)n1 ZINC000808361352 630639146 /nfs/dbraw/zinc/63/91/46/630639146.db2.gz PETBYIGDPVYLRR-CLTKARDFSA-N -1 3 265.165 3.043 20 0 CGADHM Cc1cccc(C(=O)Nc2ccc(Cl)nc2)c1[O-] ZINC000103746243 630906142 /nfs/dbraw/zinc/90/61/42/630906142.db2.gz YFFHGUREDINRGU-UHFFFAOYSA-N -1 3 262.696 3.001 20 0 CGADHM C[C@@H]1OCC[C@@H]1OC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000810691346 630927250 /nfs/dbraw/zinc/92/72/50/630927250.db2.gz AOZVBNKAFNYVHV-RCOVLWMOSA-N -1 3 285.752 3.217 20 0 CGADHM C[C@H]1OCC[C@H]1COC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000810873813 630969818 /nfs/dbraw/zinc/96/98/18/630969818.db2.gz WGCGYHGEBAZYCW-SFYZADRCSA-N -1 3 299.779 3.465 20 0 CGADHM C[C@H](O)CCCOC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000811394202 631061146 /nfs/dbraw/zinc/06/11/46/631061146.db2.gz MJSIZAGFJHTSHC-ZETCQYMHSA-N -1 3 287.768 3.201 20 0 CGADHM Cc1ccc(C(=O)CCC(=O)[N-]OC/C=C/Cl)cc1C ZINC000812406359 631247715 /nfs/dbraw/zinc/24/77/15/631247715.db2.gz QFUVEVJYAHFROB-FPYGCLRLSA-N -1 3 295.766 3.067 20 0 CGADHM O=C([N-]OC/C=C/Cl)C1(Cc2cccc(F)c2)CCC1 ZINC000812407184 631248673 /nfs/dbraw/zinc/24/86/73/631248673.db2.gz LFRDPGFRYYOBKR-FPYGCLRLSA-N -1 3 297.757 3.339 20 0 CGADHM COc1ccc2c(c1)CCC[C@@H]2CC(=O)[N-]OC1CCC1 ZINC000812791285 631311130 /nfs/dbraw/zinc/31/11/30/631311130.db2.gz MUHTYLZONWBULM-CYBMUJFWSA-N -1 3 289.375 3.106 20 0 CGADHM C[C@@H](CC(=O)[N-]OC1CCC1)c1c[nH]c2ccccc21 ZINC000812794431 631311889 /nfs/dbraw/zinc/31/18/89/631311889.db2.gz CPJORGXBEBDPSJ-NSHDSACASA-N -1 3 272.348 3.262 20 0 CGADHM O=C(CCC(=O)c1ccc2ccccc2c1)[N-]OC1CCC1 ZINC000812793383 631312380 /nfs/dbraw/zinc/31/23/80/631312380.db2.gz RQEHMUNLCTYGQA-UHFFFAOYSA-N -1 3 297.354 3.403 20 0 CGADHM CC(C)OCCO[N-]C(=O)CC[C@@H](C)c1ccccc1 ZINC000812808059 631317077 /nfs/dbraw/zinc/31/70/77/631317077.db2.gz QFPAQOHMFXOAHY-CQSZACIVSA-N -1 3 279.380 3.043 20 0 CGADHM CC[C@H](NC(=O)c1nnc2ccccc2c1[O-])C1CCCC1 ZINC000837045739 634847226 /nfs/dbraw/zinc/84/72/26/634847226.db2.gz PCWHAWIPZUVCDX-ZDUSSCGKSA-N -1 3 299.374 3.034 20 0 CGADHM O=C([N-]OCc1ccccc1)c1c(Cl)cncc1Cl ZINC000814257630 631564237 /nfs/dbraw/zinc/56/42/37/631564237.db2.gz QYNBIXOAIUTIKH-UHFFFAOYSA-N -1 3 297.141 3.250 20 0 CGADHM CC(C)Cc1ccc(CCC(=O)[N-]OCC2CC2)cc1 ZINC000817330292 632123502 /nfs/dbraw/zinc/12/35/02/632123502.db2.gz KPCRSGJNXHPQJN-UHFFFAOYSA-N -1 3 275.392 3.276 20 0 CGADHM O=C(CCCOc1ccccc1Cl)[N-]OCCC1CC1 ZINC000817378832 632134287 /nfs/dbraw/zinc/13/42/87/632134287.db2.gz AHVCCDZMBOVKHV-UHFFFAOYSA-N -1 3 297.782 3.347 20 0 CGADHM C[C@H](CC(=O)[N-]OCCC1CC1)c1cccc(F)c1 ZINC000817383438 632134338 /nfs/dbraw/zinc/13/43/38/632134338.db2.gz NCQFSQBCHBMWNQ-LLVKDONJSA-N -1 3 265.328 3.167 20 0 CGADHM O=C(CC/C=C\c1ccccc1)[N-]OCCC1CC1 ZINC000817420889 632147798 /nfs/dbraw/zinc/14/77/98/632147798.db2.gz FCUSBJGECSVOTB-YWEYNIOJSA-N -1 3 259.349 3.328 20 0 CGADHM CCC[C@@H](Cc1ccccc1)NC(=O)c1ccc(N)cc1[O-] ZINC000817933925 632236231 /nfs/dbraw/zinc/23/62/31/632236231.db2.gz XLJSBHPIIHEPFU-HNNXBMFYSA-N -1 3 298.386 3.116 20 0 CGADHM CC(C)O[N-]C(=O)[C@H]1C2CCC(CC2)[C@@H]1C(F)(F)F ZINC000819556957 632485260 /nfs/dbraw/zinc/48/52/60/632485260.db2.gz UVNOTKZVDVSEPU-TVUZUIDESA-N -1 3 279.302 3.057 20 0 CGADHM CCc1ccc(C(=O)NCc2noc3ccccc32)c([O-])c1 ZINC000819563595 632485933 /nfs/dbraw/zinc/48/59/33/632485933.db2.gz JCWRDDCBLIEOMQ-UHFFFAOYSA-N -1 3 296.326 3.026 20 0 CGADHM CC(C)Sc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000824337773 633232047 /nfs/dbraw/zinc/23/20/47/633232047.db2.gz GLCLGDBOLLFQLX-UHFFFAOYSA-N -1 3 288.298 3.386 20 0 CGADHM CC(C)Sc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000824337773 633232065 /nfs/dbraw/zinc/23/20/65/633232065.db2.gz GLCLGDBOLLFQLX-UHFFFAOYSA-N -1 3 288.298 3.386 20 0 CGADHM CSCCO[N-]C(=O)CCc1cccc2ccccc21 ZINC000867926799 633279021 /nfs/dbraw/zinc/27/90/21/633279021.db2.gz VQUGJLGATQGEAE-UHFFFAOYSA-N -1 3 289.400 3.183 20 0 CGADHM O=C(C[C@@H]1C=CCCC1)[N-]OCCCC(F)(F)F ZINC000871214130 633729354 /nfs/dbraw/zinc/72/93/54/633729354.db2.gz CLTMJNQDBVSRAO-SNVBAGLBSA-N -1 3 265.275 3.123 20 0 CGADHM CC1(C)CCC[C@@H](CNCc2nc(CC(=O)[O-])cs2)C1 ZINC000871876853 633906981 /nfs/dbraw/zinc/90/69/81/633906981.db2.gz OCVJWEYWLDOVRC-LLVKDONJSA-N -1 3 296.436 3.076 20 0 CGADHM C[C@@H](N[C@@H](C)c1cccc([O-])c1F)c1ccccn1 ZINC000872017150 633936764 /nfs/dbraw/zinc/93/67/64/633936764.db2.gz VGNMMEPXLVUKII-WDEREUQCSA-N -1 3 260.312 3.338 20 0 CGADHM C[C@H](N[C@@H]1C[C@H](C)n2ccnc21)c1cccc([O-])c1F ZINC000872076852 634000358 /nfs/dbraw/zinc/00/03/58/634000358.db2.gz UNQQBPLVIWTVSF-JBLDHEPKSA-N -1 3 275.327 3.084 20 0 CGADHM C[C@H](N[C@@H]1CCCC[C@H]1F)c1cccc([O-])c1F ZINC000872079759 634002773 /nfs/dbraw/zinc/00/27/73/634002773.db2.gz PMTWAJHZHDBUCK-MVWJERBFSA-N -1 3 255.308 3.463 20 0 CGADHM C/C(=C/C(C)(C)C)C(=O)OCc1cc(=O)[n-]c(C2CC2)n1 ZINC000837645868 634956911 /nfs/dbraw/zinc/95/69/11/634956911.db2.gz GUOTXVOPGZIEFE-NTMALXAHSA-N -1 3 290.363 3.095 20 0 CGADHM O=C(CCCc1ccccc1)[N-]OCc1ccc(F)cc1 ZINC000104054065 635080925 /nfs/dbraw/zinc/08/09/25/635080925.db2.gz RWPTUXFRFWGHER-UHFFFAOYSA-N -1 3 287.334 3.396 20 0 CGADHM CC(C)(c1nc(-c2cc(=O)[n-]cn2)no1)C1CCCCC1 ZINC000843028951 635547215 /nfs/dbraw/zinc/54/72/15/635547215.db2.gz SOCGZJZLUCANPL-UHFFFAOYSA-N -1 3 288.351 3.090 20 0 CGADHM C[C@H]1SCC[C@H]1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000844104770 635822715 /nfs/dbraw/zinc/82/27/15/635822715.db2.gz CZHOFECDUPKQLK-QMTHXVAHSA-N -1 3 287.384 3.169 20 0 CGADHM CC1(NC(=O)c2cc3sccc3c([O-])c2)CC=CC1 ZINC000848269467 636549304 /nfs/dbraw/zinc/54/93/04/636549304.db2.gz ZALOSDHIPXNNGQ-UHFFFAOYSA-N -1 3 273.357 3.445 20 0 CGADHM Cc1ccc(C(=O)Nc2ccnn2C2CCCC2)c([O-])c1 ZINC000849189596 636769322 /nfs/dbraw/zinc/76/93/22/636769322.db2.gz XSFDSGMFDGRLIX-UHFFFAOYSA-N -1 3 285.347 3.265 20 0 CGADHM CCCOc1ccc(C=Cc2nccc(=O)[n-]2)c(C)c1 ZINC000849245283 636777319 /nfs/dbraw/zinc/77/73/19/636777319.db2.gz QDNSFLOLZSPEAH-FNORWQNLSA-N -1 3 270.332 3.450 20 0 CGADHM Cc1cccc(C)c1OCCC(=O)[N-]OC1CCCC1 ZINC000135129180 637089773 /nfs/dbraw/zinc/08/97/73/637089773.db2.gz DOTJDAIJXLKRAS-UHFFFAOYSA-N -1 3 277.364 3.063 20 0 CGADHM CC(=CC(=O)Nc1[nH][n-]c2cc(=O)ccc1-2)C(C)(C)C ZINC000854582225 638072833 /nfs/dbraw/zinc/07/28/33/638072833.db2.gz FETZOCPAOUTNPN-VQHVLOKHSA-N -1 3 273.336 3.199 20 0 CGADHM C[C@@H](CC(=O)[N-]OCC1CCC1)c1cccc(F)c1 ZINC000856348751 638348467 /nfs/dbraw/zinc/34/84/67/638348467.db2.gz CWJQMCSMPUYKPC-NSHDSACASA-N -1 3 265.328 3.167 20 0 CGADHM CCCOc1ccc(CCC(=O)[N-]OCC2CCC2)cc1 ZINC000856348431 638348561 /nfs/dbraw/zinc/34/85/61/638348561.db2.gz ZPDJUJKOXUUBNW-UHFFFAOYSA-N -1 3 291.391 3.256 20 0 CGADHM Cc1csc(CN[C@H](C)c2cc([O-])cc(F)c2)n1 ZINC000924613157 638376206 /nfs/dbraw/zinc/37/62/06/638376206.db2.gz DIMKJTHIWBVHQN-SECBINFHSA-N -1 3 266.341 3.147 20 0 CGADHM C[S@@](=O)(=NC(=O)c1cc2occc2[n-]1)C1CCCCC1 ZINC000926013806 638675267 /nfs/dbraw/zinc/67/52/67/638675267.db2.gz KAIJBZBWPXBUPM-FQEVSTJZSA-N -1 3 294.376 3.332 20 0 CGADHM CC(C)(C)c1ccc(CCN2CC[C@](F)(C(=O)[O-])C2)cc1 ZINC000859810090 639222478 /nfs/dbraw/zinc/22/24/78/639222478.db2.gz GCLDJRWHGIBWBK-QGZVFWFLSA-N -1 3 293.382 3.025 20 0 CGADHM CC(=O)c1cccc(NC(=O)C[C@@H]2CCCC2(F)F)c1[O-] ZINC000935985700 639878121 /nfs/dbraw/zinc/87/81/21/639878121.db2.gz KKTYAQOKMMFZGY-JTQLQIEISA-N -1 3 297.301 3.359 20 0 CGADHM CSCc1ccc(NC([O-])=NO[C@@H]2CCCCO2)cc1 ZINC000159349477 640041582 /nfs/dbraw/zinc/04/15/82/640041582.db2.gz HUYDLBSAHLQYAS-CYBMUJFWSA-N -1 3 296.392 3.129 20 0 CGADHM CSCc1ccc(NC(=O)[N-]O[C@@H]2CCCCO2)cc1 ZINC000159349477 640041590 /nfs/dbraw/zinc/04/15/90/640041590.db2.gz HUYDLBSAHLQYAS-CYBMUJFWSA-N -1 3 296.392 3.129 20 0 CGADHM O=[N+]([O-])c1ccc([O-])cc1CN1CCC2(CCCC2)C1 ZINC000093336546 640768085 /nfs/dbraw/zinc/76/80/85/640768085.db2.gz UWRMJGKFLQNFGJ-UHFFFAOYSA-N -1 3 276.336 3.067 20 0 CGADHM [O-]c1ccc(F)c(-c2ccc3c(c2)OCCO3)c1F ZINC001250624970 805733452 /nfs/dbraw/zinc/73/34/52/805733452.db2.gz GHYCWWAENPJZPV-UHFFFAOYSA-N -1 3 264.227 3.109 20 0 CGADHM O=c1ccc2c(-c3nc4c(cccc4F)[nH]3)ccc([O-])c2[nH]1 ZINC001251307304 805877883 /nfs/dbraw/zinc/87/78/83/805877883.db2.gz QEVBEKLYBFYYLQ-UHFFFAOYSA-N -1 3 295.273 3.328 20 0 CGADHM CC(C)(C)c1cc(Cl)nc(NCc2ncccc2[O-])n1 ZINC001158774167 806001677 /nfs/dbraw/zinc/00/16/77/806001677.db2.gz KWTGJERMLNGUMU-UHFFFAOYSA-N -1 3 292.770 3.140 20 0 CGADHM COc1cc([N-]S(=O)(=O)c2ccc(C)cc2)ccc1C ZINC001252178333 806028680 /nfs/dbraw/zinc/02/86/80/806028680.db2.gz DLDXACYFBKVIMD-UHFFFAOYSA-N -1 3 291.372 3.113 20 0 CGADHM O=C(Nc1[nH][n-]c2cc(=O)ccc1-2)c1cc(Cl)cs1 ZINC001159063144 806038564 /nfs/dbraw/zinc/03/85/64/806038564.db2.gz FZARPSRTUXQBCH-UHFFFAOYSA-N -1 3 293.735 3.236 20 0 CGADHM O=C(NC[C@@H]1CSc2ccccc21)c1ccccc1[O-] ZINC001159228761 806062035 /nfs/dbraw/zinc/06/20/35/806062035.db2.gz BNXMZROXOLVQJF-LLVKDONJSA-N -1 3 285.368 3.012 20 0 CGADHM CCC[C@H](O)CNc1cc(Cl)c([O-])cc1Cl ZINC001252792602 806117474 /nfs/dbraw/zinc/11/74/74/806117474.db2.gz JBUDIKLMKJSRIF-ZETCQYMHSA-N -1 3 264.152 3.272 20 0 CGADHM Cc1cccc(-c2nnc(Cc3ccc([O-])c(F)c3)o2)c1 ZINC001253602613 806270750 /nfs/dbraw/zinc/27/07/50/806270750.db2.gz YHMBBPRKYQQHJO-UHFFFAOYSA-N -1 3 284.290 3.481 20 0 CGADHM CCCCOc1ccc(C(=O)NCC2CCC2)c([O-])c1 ZINC001160522756 806281006 /nfs/dbraw/zinc/28/10/06/806281006.db2.gz YSBMIHHXXVBPRD-UHFFFAOYSA-N -1 3 277.364 3.101 20 0 CGADHM [O-]c1cncc(-c2nnc([C@@H]3C[C@H]3c3ccccc3)o2)c1 ZINC001254627293 806462438 /nfs/dbraw/zinc/46/24/38/806462438.db2.gz DESZKZITICZHAD-UONOGXRCSA-N -1 3 279.299 3.108 20 0 CGADHM COc1cccc([O-])c1C(=O)N[C@@H](C)[C@@H]1CCC[C@H](C)C1 ZINC001161931579 806486051 /nfs/dbraw/zinc/48/60/51/806486051.db2.gz BRLZKOCFCZANJL-RWMBFGLXSA-N -1 3 291.391 3.345 20 0 CGADHM Cc1ccc(CNc2cccc(-c3nnn[n-]3)c2)c(C)c1 ZINC000037102040 798859210 /nfs/dbraw/zinc/85/92/10/798859210.db2.gz GVTQXBSDJYMRQH-UHFFFAOYSA-N -1 3 279.347 3.096 20 0 CGADHM Cc1ccc(CNc2cccc(-c3nn[n-]n3)c2)c(C)c1 ZINC000037102040 798859217 /nfs/dbraw/zinc/85/92/17/798859217.db2.gz GVTQXBSDJYMRQH-UHFFFAOYSA-N -1 3 279.347 3.096 20 0 CGADHM C[C@H](CCC[C@H](C)C(=O)[O-])NCc1nc2ccccc2o1 ZINC000087678745 798947198 /nfs/dbraw/zinc/94/71/98/798947198.db2.gz XILLVGPLGIFECF-NWDGAFQWSA-N -1 3 290.363 3.197 20 0 CGADHM [O-]c1c(F)cc(CN2CCC3(CCC3)C2)cc1F ZINC000093456027 798964114 /nfs/dbraw/zinc/96/41/14/798964114.db2.gz HPILCINAQUCHAL-UHFFFAOYSA-N -1 3 253.292 3.046 20 0 CGADHM O=C([N-]Cc1ccccc1F)C(F)(F)c1ccc(F)cc1 ZINC000147180100 799049166 /nfs/dbraw/zinc/04/91/66/799049166.db2.gz LFXKHMYJJKZFCS-UHFFFAOYSA-N -1 3 297.251 3.373 20 0 CGADHM Cc1ccc(CN2CC[C@@H](C(=O)[O-])C[C@H]2C)c(Cl)c1 ZINC000300248864 799203770 /nfs/dbraw/zinc/20/37/70/799203770.db2.gz VGLJKXYQCJIUSO-VXGBXAGGSA-N -1 3 281.783 3.334 20 0 CGADHM [O-]c1c(F)cc(CN2CCC(C(F)F)CC2)cc1F ZINC000307885560 799216125 /nfs/dbraw/zinc/21/61/25/799216125.db2.gz SQMQGCAZQJSSSW-UHFFFAOYSA-N -1 3 277.261 3.148 20 0 CGADHM CCCCC[C@H](C)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC000315296453 799235500 /nfs/dbraw/zinc/23/55/00/799235500.db2.gz IHGGBNUJIFHKHF-VHSXEESVSA-N -1 3 270.398 3.461 20 0 CGADHM Fc1c(OC(F)(F)F)cccc1-c1ccc(=S)[n-]n1 ZINC000381192062 799373430 /nfs/dbraw/zinc/37/34/30/799373430.db2.gz KSLRYZIEUKAZDC-UHFFFAOYSA-N -1 3 290.241 3.470 20 0 CGADHM Cc1ccoc1CNCc1ccc([O-])c(Cl)c1 ZINC000383438034 799402932 /nfs/dbraw/zinc/40/29/32/799402932.db2.gz DCUHXNMLYZFQNQ-UHFFFAOYSA-N -1 3 251.713 3.237 20 0 CGADHM CSC(C)(C)CCN1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000385403359 799426361 /nfs/dbraw/zinc/42/63/61/799426361.db2.gz WUOJVAXQPFFWOK-AWEZNQCLSA-N -1 3 293.432 3.202 20 0 CGADHM CN[C@@H](CC(C)(C)C)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000386709471 799439172 /nfs/dbraw/zinc/43/91/72/799439172.db2.gz WQGDMYUBLVFBMU-NSHDSACASA-N -1 3 293.342 3.278 20 0 CGADHM CC/C=C\CCSCCC[N-]C(=O)C(F)(F)F ZINC000588477457 799699914 /nfs/dbraw/zinc/69/99/14/799699914.db2.gz GDWMBWUESKRDET-ARJAWSKDSA-N -1 3 269.332 3.145 20 0 CGADHM COc1cccc(NC(=O)c2ccc(C)cc2[O-])c1F ZINC000690020901 799772053 /nfs/dbraw/zinc/77/20/53/799772053.db2.gz QJMGXFDINAAQHX-UHFFFAOYSA-N -1 3 275.279 3.101 20 0 CGADHM Cc1cccc([O-])c1C(=O)Nc1cc(Cl)ccn1 ZINC000706664340 799964288 /nfs/dbraw/zinc/96/42/88/799964288.db2.gz UAJJGNBIGRMTQE-UHFFFAOYSA-N -1 3 262.696 3.001 20 0 CGADHM CC(F)(F)CCCN1CCc2ccc(C(=O)[O-])cc2C1 ZINC000718610045 800218740 /nfs/dbraw/zinc/21/87/40/800218740.db2.gz SYBZUPPCBKXRGU-UHFFFAOYSA-N -1 3 283.318 3.178 20 0 CGADHM C[C@@H]1CN(Cc2ccc(Cl)cc2F)C[C@H]1CC(=O)[O-] ZINC000722605089 800324263 /nfs/dbraw/zinc/32/42/63/800324263.db2.gz XLQVUQWLZRTIPR-MWLCHTKSSA-N -1 3 285.746 3.022 20 0 CGADHM [S-]c1cc(Br)ccc1Nc1ccncc1 ZINC001173884240 808740298 /nfs/dbraw/zinc/74/02/98/808740298.db2.gz DRPKEMNEQQVDAD-UHFFFAOYSA-N -1 3 281.178 3.298 20 0 CGADHM CC[C@@H](CCNCc1nc(C(C)(C)C)cs1)C(=O)[O-] ZINC001118979160 802622933 /nfs/dbraw/zinc/62/29/33/802622933.db2.gz HZFYFZCRRFYRRZ-JTQLQIEISA-N -1 3 284.425 3.031 20 0 CGADHM CC(C)(CF)[N-]C(=O)C(F)(F)c1ccc(Cl)cc1 ZINC001119275391 802641423 /nfs/dbraw/zinc/64/14/23/802641423.db2.gz LBEWPFRFGMESOW-UHFFFAOYSA-N -1 3 279.689 3.296 20 0 CGADHM Cc1nc(CNC(=O)c2cc([O-])c3ccccc3c2)oc1C ZINC001123818091 802972701 /nfs/dbraw/zinc/97/27/01/802972701.db2.gz WESTXQHIYPCLLK-UHFFFAOYSA-N -1 3 296.326 3.080 20 0 CGADHM FC(F)(F)c1cc(-c2cccc3[nH]cnc32)nc(=S)[n-]1 ZINC001243930375 803080982 /nfs/dbraw/zinc/08/09/82/803080982.db2.gz HALXQSAOUZAEBD-UHFFFAOYSA-N -1 3 296.277 3.327 20 0 CGADHM CN1C(=O)NCc2cccc(-c3c([O-])cccc3Cl)c21 ZINC001244047520 803159429 /nfs/dbraw/zinc/15/94/29/803159429.db2.gz JCZZNNLMWLMVHK-UHFFFAOYSA-N -1 3 288.734 3.372 20 0 CGADHM CN(C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC001244414718 803359654 /nfs/dbraw/zinc/35/96/54/803359654.db2.gz RLBWCHFFFOIXIJ-UHFFFAOYSA-N -1 3 299.765 3.253 20 0 CGADHM CN(C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC001244414718 803359661 /nfs/dbraw/zinc/35/96/61/803359661.db2.gz RLBWCHFFFOIXIJ-UHFFFAOYSA-N -1 3 299.765 3.253 20 0 CGADHM COc1ccc(-c2ccc(Cl)cc2[O-])c(F)n1 ZINC001244475657 803390376 /nfs/dbraw/zinc/39/03/76/803390376.db2.gz KWCBPFBTOVBSNR-UHFFFAOYSA-N -1 3 253.660 3.255 20 0 CGADHM Cc1nc2ccc(-c3cc(C)c(F)c([O-])c3)nc2n1C ZINC001244505308 803410050 /nfs/dbraw/zinc/41/00/50/803410050.db2.gz BACMYJXYAQOMBI-UHFFFAOYSA-N -1 3 271.295 3.097 20 0 CGADHM CSc1ccc(-c2cc(C)c(F)c([O-])c2)nn1 ZINC001244508327 803411879 /nfs/dbraw/zinc/41/18/79/803411879.db2.gz RBGLAUKTSBNCIW-UHFFFAOYSA-N -1 3 250.298 3.019 20 0 CGADHM Cc1cc(-c2cccc(C3(C)OCCO3)n2)cc([O-])c1F ZINC001244516641 803413682 /nfs/dbraw/zinc/41/36/82/803413682.db2.gz ZAPXCNGIXSRKQL-UHFFFAOYSA-N -1 3 289.306 3.121 20 0 CGADHM COC(=O)c1ccccc1-c1cc(C)c(F)c([O-])c1 ZINC001244517160 803414303 /nfs/dbraw/zinc/41/43/03/803414303.db2.gz JYWDZFQGGUMYBN-UHFFFAOYSA-N -1 3 260.264 3.293 20 0 CGADHM COC(=O)c1cc(-c2cc(C)c(F)c([O-])c2)ccc1OC ZINC001244521726 803414747 /nfs/dbraw/zinc/41/47/47/803414747.db2.gz WXGYMVDQEXBBGU-UHFFFAOYSA-N -1 3 290.290 3.302 20 0 CGADHM Cc1cc(-c2ccc(-n3ccnn3)cc2)cc([O-])c1F ZINC001244519154 803415162 /nfs/dbraw/zinc/41/51/62/803415162.db2.gz WZCNMQXLTDGTOR-UHFFFAOYSA-N -1 3 269.279 3.087 20 0 CGADHM Cc1cc(-c2ccc3cnncc3c2)cc([O-])c1F ZINC001244518374 803415777 /nfs/dbraw/zinc/41/57/77/803415777.db2.gz UOBBTLHDHMZPHP-UHFFFAOYSA-N -1 3 254.264 3.450 20 0 CGADHM Cc1cc(-c2cnn(-c3ccccc3)c(=O)c2)cc([O-])c1F ZINC001244524553 803417541 /nfs/dbraw/zinc/41/75/41/803417541.db2.gz BIOONHPIUMNTKA-UHFFFAOYSA-N -1 3 296.301 3.053 20 0 CGADHM Cc1cc(-c2cc(C)c(=O)n(C)c2)cc(Cl)c1[O-] ZINC001244550898 803433597 /nfs/dbraw/zinc/43/35/97/803433597.db2.gz OKDRSGMORUWGHF-UHFFFAOYSA-N -1 3 263.724 3.028 20 0 CGADHM CC(=O)c1cc(-c2ccc(-c3nnn[n-]3)cc2C)cs1 ZINC001244631410 803474116 /nfs/dbraw/zinc/47/41/16/803474116.db2.gz USRFMKXEAXPXRR-UHFFFAOYSA-N -1 3 284.344 3.106 20 0 CGADHM CC(=O)c1cc(-c2ccc(-c3nn[n-]n3)cc2C)cs1 ZINC001244631410 803474117 /nfs/dbraw/zinc/47/41/17/803474117.db2.gz USRFMKXEAXPXRR-UHFFFAOYSA-N -1 3 284.344 3.106 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)Nc1cccc2cccnc21 ZINC001135299459 803585623 /nfs/dbraw/zinc/58/56/23/803585623.db2.gz JBKKYHUVOBUPMS-UHFFFAOYSA-N -1 3 296.301 3.261 20 0 CGADHM CC(=O)c1ccc(C(=O)Nc2ccc(F)cc2F)cc1[O-] ZINC001135582993 803606055 /nfs/dbraw/zinc/60/60/55/803606055.db2.gz DXMVKPADDYMBSX-UHFFFAOYSA-N -1 3 291.253 3.125 20 0 CGADHM CCOC(=O)c1ccncc1-c1cc(Cl)ccc1[O-] ZINC001245051563 803622863 /nfs/dbraw/zinc/62/28/63/803622863.db2.gz CSKCAZOJBFXVCV-UHFFFAOYSA-N -1 3 277.707 3.284 20 0 CGADHM COc1cnc2c(c1)ncnc2-c1ccc([O-])cc1Cl ZINC001245077813 803633876 /nfs/dbraw/zinc/63/38/76/803633876.db2.gz FDJIVAOQQDANRC-UHFFFAOYSA-N -1 3 287.706 3.059 20 0 CGADHM CCc1ccc(C(=O)NC[C@@H]2CC=CCC2)c([O-])c1 ZINC001136443439 803643377 /nfs/dbraw/zinc/64/33/77/803643377.db2.gz CHQRFGFQIKZHBA-CYBMUJFWSA-N -1 3 259.349 3.041 20 0 CGADHM CCC[C@@H]1CCCC[C@@H]1NC(=O)c1ccccc1[O-] ZINC001136622775 803648895 /nfs/dbraw/zinc/64/88/95/803648895.db2.gz RXNNBLTVSJKQHV-OCCSQVGLSA-N -1 3 261.365 3.481 20 0 CGADHM CCN(C)c1ccccc1CNC(=O)c1c(C)cccc1[O-] ZINC001136684262 803650362 /nfs/dbraw/zinc/65/03/62/803650362.db2.gz FXCDXXGRMDWGIX-UHFFFAOYSA-N -1 3 298.386 3.087 20 0 CGADHM Cc1cccc([O-])c1C(=O)N[C@@H](C)c1ccc(F)c(F)c1 ZINC001136836039 803654405 /nfs/dbraw/zinc/65/44/05/803654405.db2.gz OHPRCCMRYZEURZ-JTQLQIEISA-N -1 3 291.297 3.470 20 0 CGADHM CO[C@H](CNC(=O)c1ccc(C(C)C)cc1[O-])C(C)(C)C ZINC001136968346 803664331 /nfs/dbraw/zinc/66/43/31/803664331.db2.gz JSXJKUVIBJJZED-OAHLLOKOSA-N -1 3 293.407 3.307 20 0 CGADHM CCO[C@@H]1C[C@H](NC(=O)c2ccccc2[O-])C1(CC)CC ZINC001137062661 803677984 /nfs/dbraw/zinc/67/79/84/803677984.db2.gz DKRQWNDGFSECJQ-LSDHHAIUSA-N -1 3 291.391 3.106 20 0 CGADHM Cc1noc2ccc(-c3ccc(-c4nnn[n-]4)cc3C)cc12 ZINC001245285707 803692892 /nfs/dbraw/zinc/69/28/92/803692892.db2.gz VHEVXFQMXIIDAY-UHFFFAOYSA-N -1 3 291.314 3.292 20 0 CGADHM Cc1noc2ccc(-c3ccc(-c4nn[n-]n4)cc3C)cc12 ZINC001245285707 803692895 /nfs/dbraw/zinc/69/28/95/803692895.db2.gz VHEVXFQMXIIDAY-UHFFFAOYSA-N -1 3 291.314 3.292 20 0 CGADHM O=C(c1cc2sccc2c([O-])c1)N1CC[C@@H](C2CC2)C1 ZINC001137601684 803743518 /nfs/dbraw/zinc/74/35/18/803743518.db2.gz VWYRDGJMHARCDB-LLVKDONJSA-N -1 3 287.384 3.479 20 0 CGADHM [O-]c1ccc(Nc2cncc(C(F)(F)F)n2)c(F)c1F ZINC001212000047 814964364 /nfs/dbraw/zinc/96/43/64/814964364.db2.gz JWZNDFDNRGKDIK-UHFFFAOYSA-N -1 3 291.179 3.223 20 0 CGADHM Nc1ccc2c(Cl)nn(-c3ccc([O-])c(F)c3F)c2c1 ZINC001212009918 814966634 /nfs/dbraw/zinc/96/66/34/814966634.db2.gz ZFCGKXVDUGJCJP-UHFFFAOYSA-N -1 3 295.676 3.245 20 0 CGADHM O=c1ccc2cc(Nc3ccc([O-])c(F)c3F)ccc2[nH]1 ZINC001212011067 814966690 /nfs/dbraw/zinc/96/66/90/814966690.db2.gz PMTSHJCEWARJDP-UHFFFAOYSA-N -1 3 288.253 3.256 20 0 CGADHM CCOc1ccc(N)cc1Nc1ccc([O-])c(F)c1F ZINC001212011229 814966794 /nfs/dbraw/zinc/96/67/94/814966794.db2.gz YTZHBZBUEIBUKY-UHFFFAOYSA-N -1 3 280.274 3.395 20 0 CGADHM CC(=O)Nc1ccc(C)c(-c2c([O-])cccc2F)c1 ZINC001245652864 803884872 /nfs/dbraw/zinc/88/48/72/803884872.db2.gz GTGNYBWDAOBUQM-UHFFFAOYSA-N -1 3 259.280 3.465 20 0 CGADHM COc1ncc(-c2c([O-])cccc2F)c2cc[nH]c21 ZINC001245654369 803885669 /nfs/dbraw/zinc/88/56/69/803885669.db2.gz QHZSSIGIVXQOSX-UHFFFAOYSA-N -1 3 258.252 3.083 20 0 CGADHM COC(=O)c1cc(-c2c([O-])cccc2F)c(F)cc1OC ZINC001245654098 803885728 /nfs/dbraw/zinc/88/57/28/803885728.db2.gz AEUWOIFYMWXVJP-UHFFFAOYSA-N -1 3 294.253 3.133 20 0 CGADHM COC(=O)c1cc(F)c(C)c(-c2c([O-])cccc2F)c1 ZINC001245655196 803887723 /nfs/dbraw/zinc/88/77/23/803887723.db2.gz AYNFMSMKRBEVNL-UHFFFAOYSA-N -1 3 278.254 3.432 20 0 CGADHM [O-]c1cccc(F)c1-c1ccc(-c2nnco2)cc1 ZINC001245655357 803888664 /nfs/dbraw/zinc/88/86/64/803888664.db2.gz JAHCAZDRBLJXNI-UHFFFAOYSA-N -1 3 256.236 3.248 20 0 CGADHM CC1(C)C(=O)NCc2cccc(-c3c([O-])cccc3F)c21 ZINC001245656431 803890629 /nfs/dbraw/zinc/89/06/29/803890629.db2.gz VOAUSYBPPMNEMF-UHFFFAOYSA-N -1 3 285.318 3.106 20 0 CGADHM CN(Cc1ccc(-c2c([O-])cccc2F)nc1)C1CC1 ZINC001245656256 803891275 /nfs/dbraw/zinc/89/12/75/803891275.db2.gz YQJHVEURTKCVIU-UHFFFAOYSA-N -1 3 272.323 3.188 20 0 CGADHM COc1cc(C)c(-c2cccc(-c3nnn[n-]3)c2)c(C)c1 ZINC001245680522 803908118 /nfs/dbraw/zinc/90/81/18/803908118.db2.gz HXCQACBXVGVUGC-UHFFFAOYSA-N -1 3 280.331 3.159 20 0 CGADHM COc1cc(C)c(-c2cccc(-c3nn[n-]n3)c2)c(C)c1 ZINC001245680522 803908124 /nfs/dbraw/zinc/90/81/24/803908124.db2.gz HXCQACBXVGVUGC-UHFFFAOYSA-N -1 3 280.331 3.159 20 0 CGADHM [O-]c1cccnc1CN1CCC[C@H]1c1ccccc1F ZINC001138394714 803914208 /nfs/dbraw/zinc/91/42/08/803914208.db2.gz LLLUNHZGKPWVLC-HNNXBMFYSA-N -1 3 272.323 3.263 20 0 CGADHM Cc1c(F)ccc(-c2cc(F)cc(-c3nnn[n-]3)c2)c1F ZINC001245693373 803914748 /nfs/dbraw/zinc/91/47/48/803914748.db2.gz UBGQYASOCXQGNA-UHFFFAOYSA-N -1 3 290.248 3.259 20 0 CGADHM Cc1c(F)ccc(-c2cc(F)cc(-c3nn[n-]n3)c2)c1F ZINC001245693373 803914752 /nfs/dbraw/zinc/91/47/52/803914752.db2.gz UBGQYASOCXQGNA-UHFFFAOYSA-N -1 3 290.248 3.259 20 0 CGADHM Cc1nc(Cl)ccc1-c1cc(-c2nnn[n-]2)ccc1F ZINC001245772902 803953491 /nfs/dbraw/zinc/95/34/91/803953491.db2.gz LGBDKVZRAMHNCT-UHFFFAOYSA-N -1 3 289.701 3.030 20 0 CGADHM Cc1nc(Cl)ccc1-c1cc(-c2nn[n-]n2)ccc1F ZINC001245772902 803953493 /nfs/dbraw/zinc/95/34/93/803953493.db2.gz LGBDKVZRAMHNCT-UHFFFAOYSA-N -1 3 289.701 3.030 20 0 CGADHM Cc1nc(Nc2ccc(F)cc2OC(C)C)cc(=O)[n-]1 ZINC001212289729 815002457 /nfs/dbraw/zinc/00/24/57/815002457.db2.gz FPOSEWNHYCMPEI-UHFFFAOYSA-N -1 3 277.299 3.161 20 0 CGADHM [O-]c1ccc(CN2CCC3(CCCOC3)CC2)c(F)c1F ZINC001140892438 804543630 /nfs/dbraw/zinc/54/36/30/804543630.db2.gz NCEXHDYJQGVDAO-UHFFFAOYSA-N -1 3 297.345 3.063 20 0 CGADHM [O-]c1ccc(CN2CCCCC23CC3)c(F)c1F ZINC001140893289 804546233 /nfs/dbraw/zinc/54/62/33/804546233.db2.gz MUNGVYSZYNPQKB-UHFFFAOYSA-N -1 3 253.292 3.189 20 0 CGADHM C=Cc1ccc(CCNC(=O)c2c(C)cccc2[O-])cc1 ZINC001141305493 804628401 /nfs/dbraw/zinc/62/84/01/804628401.db2.gz HZCAXVQKHMCNMU-UHFFFAOYSA-N -1 3 281.355 3.316 20 0 CGADHM CCCOC1CN(Cc2c(Cl)cc([O-])cc2Cl)C1 ZINC001142115028 804696645 /nfs/dbraw/zinc/69/66/45/804696645.db2.gz UPBHCUQIOXVMFM-UHFFFAOYSA-N -1 3 290.190 3.310 20 0 CGADHM Cn1nc(C(C)(C)C)cc1Nc1cc(F)cc(F)c1[O-] ZINC001212479881 815034990 /nfs/dbraw/zinc/03/49/90/815034990.db2.gz XBRKVYXEDDJUQG-UHFFFAOYSA-N -1 3 281.306 3.445 20 0 CGADHM [O-]c1c(F)cc(F)cc1Nc1ccnn1CC1CC1 ZINC001212479760 815035373 /nfs/dbraw/zinc/03/53/73/815035373.db2.gz QQRCCRZEBOVKIV-UHFFFAOYSA-N -1 3 265.263 3.021 20 0 CGADHM CC(C)n1cnc(Nc2cc(F)cc(F)c2[O-])c1 ZINC001212484311 815036911 /nfs/dbraw/zinc/03/69/11/815036911.db2.gz WYROTUNFXZSSAU-UHFFFAOYSA-N -1 3 253.252 3.191 20 0 CGADHM COC(=O)c1cnc(SCc2ccsc2Cl)[n-]1 ZINC001166029278 807032710 /nfs/dbraw/zinc/03/27/10/807032710.db2.gz BJUZNBDWELQFKW-UHFFFAOYSA-N -1 3 288.781 3.204 20 0 CGADHM [O-]c1cc(F)c(CN2CCC3(CC(F)C3)CC2)c(F)c1 ZINC001144545161 805000686 /nfs/dbraw/zinc/00/06/86/805000686.db2.gz UVFKAZJBOLZFGG-UHFFFAOYSA-N -1 3 285.309 3.385 20 0 CGADHM CC[C@H]1CCCN(Cc2cc(F)c([O-])cc2F)C1 ZINC001144657846 805023889 /nfs/dbraw/zinc/02/38/89/805023889.db2.gz KRBPSTVJTZZRHV-JTQLQIEISA-N -1 3 255.308 3.292 20 0 CGADHM [O-]c1cc(F)c(CN2CCC[C@H]3CCC[C@@H]32)cc1F ZINC001144658469 805025029 /nfs/dbraw/zinc/02/50/29/805025029.db2.gz XLBWMSKIOFATJV-YGRLFVJLSA-N -1 3 267.319 3.435 20 0 CGADHM COc1cccc(C(=O)Nc2cccc(C(C)C)n2)c1[O-] ZINC001148197636 805167525 /nfs/dbraw/zinc/16/75/25/805167525.db2.gz UTARTMVFOJQUIA-UHFFFAOYSA-N -1 3 286.331 3.172 20 0 CGADHM Cc1ccc(C(=O)N2CC[C@H](C)C(F)(F)CC2)c([O-])c1 ZINC001148498843 805189119 /nfs/dbraw/zinc/18/91/19/805189119.db2.gz NKUPZQARZBCWJE-NSHDSACASA-N -1 3 283.318 3.208 20 0 CGADHM Cc1ccc(C(=O)Nc2cc3snnc3c(C)c2)c([O-])c1 ZINC001148500603 805191164 /nfs/dbraw/zinc/19/11/64/805191164.db2.gz QQQLOBNZBCYKJJ-UHFFFAOYSA-N -1 3 299.355 3.266 20 0 CGADHM CSc1ccc([O-])c(C(=O)N[C@H](C)c2ccns2)c1 ZINC001150573627 805260643 /nfs/dbraw/zinc/26/06/43/805260643.db2.gz GZTSYGBLLKJUIM-MRVPVSSYSA-N -1 3 294.401 3.062 20 0 CGADHM O=C(Nc1ccc(F)c([O-])c1)c1cc2c(cccc2F)[nH]1 ZINC001151105535 805283351 /nfs/dbraw/zinc/28/33/51/805283351.db2.gz HGMUFXQDLYXSEM-UHFFFAOYSA-N -1 3 288.253 3.404 20 0 CGADHM CC(C)c1oncc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC001151752837 805310929 /nfs/dbraw/zinc/31/09/29/805310929.db2.gz GFZBVXHVXYZXIP-UHFFFAOYSA-N -1 3 280.711 3.409 20 0 CGADHM [O-]c1cc(F)c(CCOc2ccccc2)c(F)c1 ZINC001249934100 805313892 /nfs/dbraw/zinc/31/38/92/805313892.db2.gz HIGJVVGJDLXWQY-UHFFFAOYSA-N -1 3 250.244 3.292 20 0 CGADHM O=C(Nc1ccc(F)c([O-])c1)c1cc2sccc2[nH]1 ZINC001152268431 805342040 /nfs/dbraw/zinc/34/20/40/805342040.db2.gz GSGOABYGAPZWHU-UHFFFAOYSA-N -1 3 276.292 3.326 20 0 CGADHM CC(C)(C)n1cc(Nc2cc(F)c([O-])cc2F)cn1 ZINC001212572698 815073529 /nfs/dbraw/zinc/07/35/29/815073529.db2.gz QLWMGVGGJAXZPP-UHFFFAOYSA-N -1 3 267.279 3.366 20 0 CGADHM NC(=O)c1ccc(Nc2ccc(Cl)c(F)c2F)cc1[O-] ZINC001250116096 805425429 /nfs/dbraw/zinc/42/54/29/805425429.db2.gz MIYULCCGBMQOTD-UHFFFAOYSA-N -1 3 298.676 3.166 20 0 CGADHM CCc1nnc(Nc2ccc(Cl)c([O-])c2)s1 ZINC001212588361 815077141 /nfs/dbraw/zinc/07/71/41/815077141.db2.gz MLNQRWQFRBXYMQ-UHFFFAOYSA-N -1 3 255.730 3.203 20 0 CGADHM COC(=O)c1occc1Nc1ccc(Cl)c([O-])c1 ZINC001212589442 815078429 /nfs/dbraw/zinc/07/84/29/815078429.db2.gz LQKOOSIKZIEHCP-UHFFFAOYSA-N -1 3 267.668 3.169 20 0 CGADHM CCOC(=O)c1ncccc1Nc1ccc(Cl)c([O-])c1 ZINC001212589572 815078795 /nfs/dbraw/zinc/07/87/95/815078795.db2.gz SJBCGYNNJDLSST-UHFFFAOYSA-N -1 3 292.722 3.361 20 0 CGADHM NC(=O)c1cc(F)ccc1Nc1ccc(Cl)c([O-])c1 ZINC001212593256 815079813 /nfs/dbraw/zinc/07/98/13/815079813.db2.gz HUUFWTBQNCVIAP-UHFFFAOYSA-N -1 3 280.686 3.027 20 0 CGADHM [O-]c1cc(Nc2cnc(F)c(F)c2)ccc1Cl ZINC001212591684 815080092 /nfs/dbraw/zinc/08/00/92/815080092.db2.gz YXALOVHICGBQFB-UHFFFAOYSA-N -1 3 256.639 3.462 20 0 CGADHM CCOc1nccc([N-]c2nnc(CC)s2)c1Cl ZINC001250245776 805517374 /nfs/dbraw/zinc/51/73/74/805517374.db2.gz BIHZOXJGTMQRJM-UHFFFAOYSA-N -1 3 284.772 3.291 20 0 CGADHM [O-]c1ccc(Cc2ccccn2)cc1C(F)(F)F ZINC001250319847 805563767 /nfs/dbraw/zinc/56/37/67/805563767.db2.gz KECLLFBFQRMDMQ-UHFFFAOYSA-N -1 3 253.223 3.397 20 0 CGADHM COC(=O)c1cc([N-]c2nnc(C(C)C)o2)ccc1C ZINC001212623679 815087975 /nfs/dbraw/zinc/08/79/75/815087975.db2.gz UNEGTWQWNXMWPA-UHFFFAOYSA-N -1 3 275.308 3.032 20 0 CGADHM COc1cccc(NC(=O)c2c(C)cccc2[O-])c1C ZINC001166741121 807089698 /nfs/dbraw/zinc/08/96/98/807089698.db2.gz HXZQXDMZVUFOCB-UHFFFAOYSA-N -1 3 271.316 3.270 20 0 CGADHM O=C(N[C@H](C(F)F)C1CCCCC1)c1ccccc1[O-] ZINC001167318454 807181390 /nfs/dbraw/zinc/18/13/90/807181390.db2.gz VOFMNHXDDGDZPD-ZDUSSCGKSA-N -1 3 283.318 3.336 20 0 CGADHM [O-]c1cncc(-c2nc(-c3ccnc4ccccc43)no2)c1 ZINC001212709577 815110248 /nfs/dbraw/zinc/11/02/48/815110248.db2.gz BLVANHLKMHMVGB-UHFFFAOYSA-N -1 3 290.282 3.052 20 0 CGADHM [O-]c1cccc(O)c1-c1nnc(-c2ccc3c(c2)CCC3)o1 ZINC001258175423 807342437 /nfs/dbraw/zinc/34/24/37/807342437.db2.gz VAICCUOUZDKOQS-UHFFFAOYSA-N -1 3 294.310 3.304 20 0 CGADHM CCOC(=O)c1c(C)csc1[N-]c1conc1C ZINC001212717512 815112192 /nfs/dbraw/zinc/11/21/92/815112192.db2.gz IMXBZXGAUNREFB-UHFFFAOYSA-N -1 3 266.322 3.273 20 0 CGADHM O=S(=O)([N-]c1csc2cnccc12)C1CCCCC1 ZINC001259809499 807687857 /nfs/dbraw/zinc/68/78/57/807687857.db2.gz PTVZNSUIQUJCGA-UHFFFAOYSA-N -1 3 296.417 3.371 20 0 CGADHM C[C@@H]([N-]S(=O)(=O)C(F)F)c1ccc2ccccc2c1 ZINC001259960068 807694981 /nfs/dbraw/zinc/69/49/81/807694981.db2.gz BEWWGUNHVUGVGA-SECBINFHSA-N -1 3 285.315 3.043 20 0 CGADHM [O-]c1cccnc1CNc1cc(Cl)nc2c1CCCC2 ZINC001169727326 807699959 /nfs/dbraw/zinc/69/99/59/807699959.db2.gz WNRXGTXZSOIIHA-UHFFFAOYSA-N -1 3 289.766 3.327 20 0 CGADHM [O-]c1cccnc1CNc1ccccc1OC(F)F ZINC001169731999 807700031 /nfs/dbraw/zinc/70/00/31/807700031.db2.gz VWABGLGEWVFGHM-UHFFFAOYSA-N -1 3 266.247 3.001 20 0 CGADHM CC(C)c1ccc(C(=O)N[C@H]2C[C@@H]3[C@H](C2)C3(F)F)c([O-])c1 ZINC001261751313 807781314 /nfs/dbraw/zinc/78/13/14/807781314.db2.gz UINPJZZCYXJMEO-LMKPVCQUSA-N -1 3 295.329 3.289 20 0 CGADHM FC(F)(F)[C@@H]([N-]c1ncnc(Cl)n1)c1ccccc1 ZINC001170882575 807924976 /nfs/dbraw/zinc/92/49/76/807924976.db2.gz IBBPISRSUVUSJB-QMMMGPOBSA-N -1 3 288.660 3.241 20 0 CGADHM CO[C@H]1CC=C(Nc2cc(=O)n(-c3ccccc3)[n-]2)CC1 ZINC001212875478 815169286 /nfs/dbraw/zinc/16/92/86/815169286.db2.gz OAMOEENSRHKMSD-AWEZNQCLSA-N -1 3 285.347 3.073 20 0 CGADHM COCOc1cccc(Nc2cc(F)c([O-])c(F)c2)c1 ZINC001212900243 815180856 /nfs/dbraw/zinc/18/08/56/815180856.db2.gz SZFDXEAJNUBKLL-UHFFFAOYSA-N -1 3 281.258 3.397 20 0 CGADHM CC(=O)Nc1cccc(Nc2c(F)cc([O-])cc2F)c1 ZINC001173834529 808698578 /nfs/dbraw/zinc/69/85/78/808698578.db2.gz HVRBJSOCMHVHOI-UHFFFAOYSA-N -1 3 278.258 3.372 20 0 CGADHM CN(C)C(=O)c1cccc(Nc2ccc([O-])c(F)c2F)c1 ZINC001174084883 808853504 /nfs/dbraw/zinc/85/35/04/808853504.db2.gz AIZRFAFTJWZVFI-UHFFFAOYSA-N -1 3 292.285 3.116 20 0 CGADHM CN(C)C(=O)c1cccc(Nc2cc(F)c([O-])c(F)c2)c1 ZINC001174087013 808854572 /nfs/dbraw/zinc/85/45/72/808854572.db2.gz YJPCYBZOQCKGRS-UHFFFAOYSA-N -1 3 292.285 3.116 20 0 CGADHM CC(C)Oc1cccc(Nc2ncc(F)cc2[O-])c1 ZINC001174112252 808872134 /nfs/dbraw/zinc/87/21/34/808872134.db2.gz CFCQADOZGIMUAB-UHFFFAOYSA-N -1 3 262.284 3.457 20 0 CGADHM Cc1nn(C)c(C)c1Nc1cccc([O-])c1Cl ZINC001174227319 808912358 /nfs/dbraw/zinc/91/23/58/808912358.db2.gz CYFJAKRKBDBMRE-UHFFFAOYSA-N -1 3 251.717 3.140 20 0 CGADHM Cc1ccc(Nc2cc(=O)n(-c3ccccc3)[n-]2)cn1 ZINC001174281722 808931325 /nfs/dbraw/zinc/93/13/25/808931325.db2.gz LIGPVNZHPJMFGG-UHFFFAOYSA-N -1 3 266.304 3.025 20 0 CGADHM [O-]c1cc(Cl)cnc1Nc1cccc(-n2cccn2)c1 ZINC001174299749 808941886 /nfs/dbraw/zinc/94/18/86/808941886.db2.gz UPFVJLHVVUVALP-UHFFFAOYSA-N -1 3 286.722 3.370 20 0 CGADHM O=c1oc2cc([O-])ccc2cc1Nc1cccc2[nH]ncc21 ZINC001174343519 808964486 /nfs/dbraw/zinc/96/44/86/808964486.db2.gz TZYKILQUJOCBHH-UHFFFAOYSA-N -1 3 293.282 3.119 20 0 CGADHM Cn1cnc2ccc(Nc3cc(F)c([O-])c(F)c3)cc21 ZINC001174348740 808970821 /nfs/dbraw/zinc/97/08/21/808970821.db2.gz MEBDEHRGIMKXER-UHFFFAOYSA-N -1 3 275.258 3.301 20 0 CGADHM Cc1nc(Nc2ccc(C(F)(F)F)cc2F)cc(=O)[n-]1 ZINC001174400120 808997113 /nfs/dbraw/zinc/99/71/13/808997113.db2.gz UTLUFXBPJNZRDV-UHFFFAOYSA-N -1 3 287.216 3.392 20 0 CGADHM CCOC(=O)c1cnoc1[N-]c1cc(C)sc1C ZINC001174420420 809012245 /nfs/dbraw/zinc/01/22/45/809012245.db2.gz DQHJBZADESYZMY-UHFFFAOYSA-N -1 3 266.322 3.273 20 0 CGADHM Cc1cnccc1Nc1ccc(Cl)cc1[S-] ZINC001174539790 809072047 /nfs/dbraw/zinc/07/20/47/809072047.db2.gz RPXJXUSFNIWEMW-UHFFFAOYSA-N -1 3 250.754 3.498 20 0 CGADHM COc1cc(Nc2cc([O-])c(F)cc2F)ccc1O ZINC001174543970 809076350 /nfs/dbraw/zinc/07/63/50/809076350.db2.gz CKINZLISVOHAGN-UHFFFAOYSA-N -1 3 267.231 3.128 20 0 CGADHM O=c1[n-]cncc1Nc1ccc(Oc2cccnc2)cc1 ZINC001174848383 809178326 /nfs/dbraw/zinc/17/83/26/809178326.db2.gz CITGYEXKXFSQOH-UHFFFAOYSA-N -1 3 280.287 3.113 20 0 CGADHM O=c1ccoc2ccc(Nc3cccc(F)c3[O-])cc12 ZINC001174945056 809210774 /nfs/dbraw/zinc/21/07/74/809210774.db2.gz BSMHSLJICBOKJE-UHFFFAOYSA-N -1 3 271.247 3.381 20 0 CGADHM [O-]c1c(F)cc(Nc2ccc(F)nc2F)cc1F ZINC001213375135 815271875 /nfs/dbraw/zinc/27/18/75/815271875.db2.gz RCXQDJPDSKVKNY-UHFFFAOYSA-N -1 3 258.174 3.087 20 0 CGADHM Nc1ccc2nn(-c3cc(F)c([O-])c(F)c3)c(Cl)c2c1 ZINC001213379415 815273022 /nfs/dbraw/zinc/27/30/22/815273022.db2.gz XJHFHZASPIFCAS-UHFFFAOYSA-N -1 3 295.676 3.245 20 0 CGADHM CC(C)n1cnc(Nc2cc(F)c([O-])c(F)c2)c1 ZINC001213377280 815273606 /nfs/dbraw/zinc/27/36/06/815273606.db2.gz GWAVGRKRUZGIML-UHFFFAOYSA-N -1 3 253.252 3.191 20 0 CGADHM [O-]c1c(F)cc(Nc2ccc(C3=NCCO3)cc2)cc1F ZINC001213384514 815273884 /nfs/dbraw/zinc/27/38/84/815273884.db2.gz QMXIYUPUBDNKAG-UHFFFAOYSA-N -1 3 290.269 3.191 20 0 CGADHM COC(=O)Cc1cccc(Nc2c(F)cc([O-])cc2F)c1 ZINC001175097705 809270054 /nfs/dbraw/zinc/27/00/54/809270054.db2.gz VAXXCBKXAIMLNK-UHFFFAOYSA-N -1 3 293.269 3.130 20 0 CGADHM NC(=O)c1ccc(Cl)cc1Nc1c(F)cc([O-])cc1F ZINC001175098116 809270125 /nfs/dbraw/zinc/27/01/25/809270125.db2.gz YNWFEBWYELKTLJ-UHFFFAOYSA-N -1 3 298.676 3.166 20 0 CGADHM COCCOc1ccc(Nc2c(F)cc([O-])cc2F)cc1 ZINC001175100666 809271988 /nfs/dbraw/zinc/27/19/88/809271988.db2.gz UGLKRGRTHKXDSV-UHFFFAOYSA-N -1 3 295.285 3.439 20 0 CGADHM Cc1ccc(CO)c(Nc2c(F)cc([O-])cc2F)c1 ZINC001175101925 809272691 /nfs/dbraw/zinc/27/26/91/809272691.db2.gz ACMMPYVIFHUALB-UHFFFAOYSA-N -1 3 265.259 3.215 20 0 CGADHM CCOc1ccc(OC)cc1[N-]c1nonc1C1CC1 ZINC001175213149 809311059 /nfs/dbraw/zinc/31/10/59/809311059.db2.gz ZAZPLOIVRBYKIE-UHFFFAOYSA-N -1 3 275.308 3.098 20 0 CGADHM CC(=O)c1ccc(Nc2ncc(F)cc2[O-])cc1F ZINC001175227751 809315745 /nfs/dbraw/zinc/31/57/45/809315745.db2.gz BIMAUFGOKCYRPJ-UHFFFAOYSA-N -1 3 264.231 3.012 20 0 CGADHM [O-]c1ccc(F)c(Nc2ccnn2CC2CC2)c1F ZINC001175263614 809328982 /nfs/dbraw/zinc/32/89/82/809328982.db2.gz MUKRXSDTDZVYRD-UHFFFAOYSA-N -1 3 265.263 3.021 20 0 CGADHM [O-]c1ccc(F)c(Nc2cnc(C(F)(F)F)cn2)c1F ZINC001175263441 809329295 /nfs/dbraw/zinc/32/92/95/809329295.db2.gz UPNMLMGMQDEIJO-UHFFFAOYSA-N -1 3 291.179 3.223 20 0 CGADHM Cc1cc(Nc2c(F)ccc([O-])c2F)ccc1O ZINC001175266231 809330516 /nfs/dbraw/zinc/33/05/16/809330516.db2.gz VGOSRSFDUQIBOR-UHFFFAOYSA-N -1 3 251.232 3.428 20 0 CGADHM [O-]c1ccc(F)c(Nc2ccc(F)cc2CO)c1F ZINC001175269835 809334779 /nfs/dbraw/zinc/33/47/79/809334779.db2.gz NQPZSUIHHSUVFW-UHFFFAOYSA-N -1 3 269.222 3.045 20 0 CGADHM [O-]c1cc(Cl)cnc1Nc1ccc(-n2cccn2)cc1 ZINC001175368328 809381093 /nfs/dbraw/zinc/38/10/93/809381093.db2.gz ABJSFHLSDKWWIO-UHFFFAOYSA-N -1 3 286.722 3.370 20 0 CGADHM Cc1c(F)cccc1-c1noc(-c2cc(Cl)n[n-]2)n1 ZINC001213498550 815290519 /nfs/dbraw/zinc/29/05/19/815290519.db2.gz OGEPWYPKXISRRF-UHFFFAOYSA-N -1 3 278.674 3.228 20 0 CGADHM CCc1cccc(-c2noc(-c3cc(Cl)n[n-]3)n2)c1 ZINC001213500725 815290621 /nfs/dbraw/zinc/29/06/21/815290621.db2.gz PLYKMLMFXSNDRI-UHFFFAOYSA-N -1 3 274.711 3.343 20 0 CGADHM Cn1cc2ccc(Nc3cc(F)c([O-])c(F)c3)cc2n1 ZINC001175615923 809474300 /nfs/dbraw/zinc/47/43/00/809474300.db2.gz YHKWJQPPIGZFQV-UHFFFAOYSA-N -1 3 275.258 3.301 20 0 CGADHM O=C(Nc1cccc([O-])c1F)c1nc(C2CC2)cs1 ZINC001295127713 809482660 /nfs/dbraw/zinc/48/26/60/809482660.db2.gz FLKGNVHKZNTAEP-UHFFFAOYSA-N -1 3 278.308 3.118 20 0 CGADHM [O-]c1ccc(Nc2cccc3c[nH]nc32)c(F)c1F ZINC001175640149 809485654 /nfs/dbraw/zinc/48/56/54/809485654.db2.gz JQKMTFUEHSDVOE-UHFFFAOYSA-N -1 3 261.231 3.290 20 0 CGADHM COc1cc(F)c(Nc2ncc(Cl)cc2[O-])c(F)c1 ZINC001175720099 809519500 /nfs/dbraw/zinc/51/95/00/809519500.db2.gz CCCPOXNURCVCSU-UHFFFAOYSA-N -1 3 286.665 3.471 20 0 CGADHM Cc1ncccc1/C=C/C(=O)Nc1c([O-])cccc1Cl ZINC001298549667 809534094 /nfs/dbraw/zinc/53/40/94/809534094.db2.gz AIZVCSBXLNCMDF-BQYQJAHWSA-N -1 3 288.734 3.401 20 0 CGADHM O=C(CC12CC3CC(CC(C3)C1)C2)[N-]OC/C=C/Cl ZINC001298870115 809539810 /nfs/dbraw/zinc/53/98/10/809539810.db2.gz UDAINKKHCPMHNW-OWOJBTEDSA-N -1 3 283.799 3.393 20 0 CGADHM [O-]c1cccc2sc(Nc3cnn(C4CC4)c3)nc21 ZINC001175958252 809580758 /nfs/dbraw/zinc/58/07/58/809580758.db2.gz KHAORZALNVGWII-UHFFFAOYSA-N -1 3 272.333 3.277 20 0 CGADHM Cc1ccc(CCC(=O)[N-]Oc2ccccc2F)cc1 ZINC001303332766 809608383 /nfs/dbraw/zinc/60/83/83/809608383.db2.gz MOOOBBIMQHBDMY-UHFFFAOYSA-N -1 3 273.307 3.177 20 0 CGADHM O=c1[n-]cncc1Nc1cccc(OC2CCCC2)c1 ZINC001176098778 809623062 /nfs/dbraw/zinc/62/30/62/809623062.db2.gz XILAPNNXGONDHX-UHFFFAOYSA-N -1 3 271.320 3.247 20 0 CGADHM O=C1CCc2cc(Nc3ncc(Cl)cc3[O-])ccc21 ZINC001176230534 809651086 /nfs/dbraw/zinc/65/10/86/809651086.db2.gz MYCJHLYJFCVROU-UHFFFAOYSA-N -1 3 274.707 3.313 20 0 CGADHM [O-]c1cc(Cl)cnc1Nc1cncc(C2CC2)c1 ZINC001176282245 809659034 /nfs/dbraw/zinc/65/90/34/809659034.db2.gz KDHSRENRGJNTSQ-UHFFFAOYSA-N -1 3 261.712 3.457 20 0 CGADHM [O-]c1cc(F)cnc1Nc1ccccc1N1CCCC1 ZINC001213604199 815309781 /nfs/dbraw/zinc/30/97/81/815309781.db2.gz PKYYSZHSOYEPLX-UHFFFAOYSA-N -1 3 273.311 3.270 20 0 CGADHM NC(=O)c1ccc(Nc2cccc(OCC3CC3)c2)cc1[O-] ZINC001176496641 809707986 /nfs/dbraw/zinc/70/79/86/809707986.db2.gz DPCDPWVRTYAEQC-UHFFFAOYSA-N -1 3 298.342 3.024 20 0 CGADHM Cc1ncc(Nc2ccc(OC(C)(C)C)cc2)c(=O)[n-]1 ZINC001176638045 809735136 /nfs/dbraw/zinc/73/51/36/809735136.db2.gz JIPDFYUCNINEEO-UHFFFAOYSA-N -1 3 273.336 3.412 20 0 CGADHM CCc1coc([N-]C(=O)c2ncc(Cc3ccccc3)o2)n1 ZINC001176863600 809766823 /nfs/dbraw/zinc/76/68/23/809766823.db2.gz GWWHWOFNQAKNAL-UHFFFAOYSA-N -1 3 297.314 3.068 20 0 CGADHM Cc1ccc2c(/C=C/C(=O)Nc3cncc([O-])c3)c[nH]c2c1 ZINC001178488158 809870005 /nfs/dbraw/zinc/87/00/05/809870005.db2.gz PNHGZROLBJRMLQ-HWKANZROSA-N -1 3 293.326 3.229 20 0 CGADHM Cc1ccc(C(=O)Nc2cnc3[nH]ccc3c2C)c([O-])c1 ZINC001178673726 809881932 /nfs/dbraw/zinc/88/19/32/809881932.db2.gz VENNBYSWSGJNGE-UHFFFAOYSA-N -1 3 281.315 3.089 20 0 CGADHM CCC1(C(=O)Nc2c([O-])cccc2C(C)=O)CCC1 ZINC001179023367 809899911 /nfs/dbraw/zinc/89/99/11/809899911.db2.gz KZCCJDSHCNBVIF-UHFFFAOYSA-N -1 3 261.321 3.114 20 0 CGADHM CC(=O)c1cccc([O-])c1NC(=O)[C@@H]1CCc2ccccc21 ZINC001181760709 810069974 /nfs/dbraw/zinc/06/99/74/810069974.db2.gz BUOIXBOJCIUKAM-OAHLLOKOSA-N -1 3 295.338 3.263 20 0 CGADHM O=C(CCCc1ccc(Cl)cc1)Nc1cncc([O-])c1 ZINC001181872747 810078493 /nfs/dbraw/zinc/07/84/93/810078493.db2.gz LXRMVNRIFITEFD-UHFFFAOYSA-N -1 3 290.750 3.402 20 0 CGADHM [O-]c1ccc(CN2CCC3(CCCCO3)CC2)c(F)c1F ZINC001183492555 810149484 /nfs/dbraw/zinc/14/94/84/810149484.db2.gz XLLJXAJPHTYHAQ-UHFFFAOYSA-N -1 3 297.345 3.206 20 0 CGADHM C[C@@H](NC(=O)Nc1ccc([O-])c(F)c1)c1ccccc1 ZINC001185013791 810228917 /nfs/dbraw/zinc/22/89/17/810228917.db2.gz USLBLDZPIDKDDS-SNVBAGLBSA-N -1 3 274.295 3.414 20 0 CGADHM Cc1noc(C)c1NC(=O)Nc1c([O-])cccc1Cl ZINC001185180441 810241990 /nfs/dbraw/zinc/24/19/90/810241990.db2.gz NKURWZZGNSUHET-UHFFFAOYSA-N -1 3 281.699 3.294 20 0 CGADHM Cc1cc(C(=O)Nc2cc([O-])cc(Cl)c2)c(C)[nH]1 ZINC001188999491 810532264 /nfs/dbraw/zinc/53/22/64/810532264.db2.gz HJSBUFFXLPMQPT-UHFFFAOYSA-N -1 3 264.712 3.243 20 0 CGADHM O=C(Nc1ccc([O-])c(F)c1)NC1CCCCCC1 ZINC001191268863 810695645 /nfs/dbraw/zinc/69/56/45/810695645.db2.gz UAVHCCNWZLRXLS-UHFFFAOYSA-N -1 3 266.316 3.376 20 0 CGADHM CC(C)(C)c1ccc(C(=O)Nc2cncc(O)c2)c([O-])c1 ZINC001192314731 810786052 /nfs/dbraw/zinc/78/60/52/810786052.db2.gz RXXYYWXXXLPHQC-UHFFFAOYSA-N -1 3 286.331 3.043 20 0 CGADHM CC(C)(C)C(=O)CNC(=O)c1ccc(C(C)(C)C)cc1[O-] ZINC001192335043 810788165 /nfs/dbraw/zinc/78/81/65/810788165.db2.gz CBNAOLASDLWQBF-UHFFFAOYSA-N -1 3 291.391 3.035 20 0 CGADHM Cc1cc(C(=O)Nc2cc([O-])cc(Cl)c2)c(C)n1C ZINC001192437066 810797286 /nfs/dbraw/zinc/79/72/86/810797286.db2.gz QMNXXXJBUJYJEX-UHFFFAOYSA-N -1 3 278.739 3.253 20 0 CGADHM CCC(C)(C)[C@@H](C)[N-]S(=O)(=O)c1ccc(F)cc1F ZINC001192449850 810798604 /nfs/dbraw/zinc/79/86/04/810798604.db2.gz MFFYWYAPGXAVTH-SECBINFHSA-N -1 3 291.363 3.068 20 0 CGADHM CC(C)[C@H](C)NC(=O)c1ccc([O-])cc1C(F)(F)F ZINC001193733688 810945815 /nfs/dbraw/zinc/94/58/15/810945815.db2.gz LXDZKNCYBMDAQE-QMMMGPOBSA-N -1 3 275.270 3.185 20 0 CGADHM CCCC[C@@H](CC)COC(=O)NCc1ncccc1[O-] ZINC001193972776 810989743 /nfs/dbraw/zinc/98/97/43/810989743.db2.gz IVHZWAGIGSXDMJ-GFCCVEGCSA-N -1 3 280.368 3.230 20 0 CGADHM Nc1cccc2ncn(-c3cc(F)c([O-])c(Cl)c3)c21 ZINC001214489010 815417761 /nfs/dbraw/zinc/41/77/61/815417761.db2.gz SEFGNTABASXIOT-UHFFFAOYSA-N -1 3 277.686 3.106 20 0 CGADHM COc1cc(Nc2c(Cl)ccc([O-])c2F)ccn1 ZINC001214553892 815422339 /nfs/dbraw/zinc/42/23/39/815422339.db2.gz FRDLBKQLJDUIMJ-UHFFFAOYSA-N -1 3 268.675 3.332 20 0 CGADHM CCn1cc(Nc2c(Cl)ccc([O-])c2F)c(C)n1 ZINC001214554654 815423279 /nfs/dbraw/zinc/42/32/79/815423279.db2.gz XWWKVQJXUSUOEL-UHFFFAOYSA-N -1 3 269.707 3.453 20 0 CGADHM CCOc1cnc(Nc2c(Cl)ccc([O-])c2F)cn1 ZINC001214556246 815423409 /nfs/dbraw/zinc/42/34/09/815423409.db2.gz MJSKMVFSCAKRDX-UHFFFAOYSA-N -1 3 283.690 3.117 20 0 CGADHM [O-]c1ccc(Cl)c(Nc2cnnc(Cl)c2)c1F ZINC001214554247 815423735 /nfs/dbraw/zinc/42/37/35/815423735.db2.gz NULUKLXPLRVPTQ-UHFFFAOYSA-N -1 3 274.082 3.372 20 0 CGADHM Cc1cccc(C(N)=O)c1Nc1c(Cl)ccc([O-])c1F ZINC001214563741 815424655 /nfs/dbraw/zinc/42/46/55/815424655.db2.gz QCHSYOKUTYLRGU-UHFFFAOYSA-N -1 3 294.713 3.336 20 0 CGADHM Cc1cc(Nc2c(Cl)ccc([O-])c2F)n(CCF)n1 ZINC001214557969 815425036 /nfs/dbraw/zinc/42/50/36/815425036.db2.gz MPZKMSLRUBFKOK-UHFFFAOYSA-N -1 3 287.697 3.403 20 0 CGADHM COC(=O)c1cccc(Nc2ncc(Cl)cc2[O-])c1F ZINC001214572054 815425793 /nfs/dbraw/zinc/42/57/93/815425793.db2.gz KEASPEGADZZBSP-UHFFFAOYSA-N -1 3 296.685 3.110 20 0 CGADHM CC(=O)c1cccc(NC(=O)Oc2ccc(F)cc2)c1[O-] ZINC001195036539 811189285 /nfs/dbraw/zinc/18/92/85/811189285.db2.gz YGBVGFBZONWHTP-UHFFFAOYSA-N -1 3 289.262 3.345 20 0 CGADHM COc1ccc(NC(=S)Nc2ccc([O-])c(F)c2)cc1 ZINC001195703888 811280161 /nfs/dbraw/zinc/28/01/61/811280161.db2.gz YMZYZNFYBBPKJL-UHFFFAOYSA-N -1 3 292.335 3.349 20 0 CGADHM O=C(Nc1ncccc1[O-])c1c[nH]c(-c2ccc(F)cc2)c1 ZINC001196960948 811386894 /nfs/dbraw/zinc/38/68/94/811386894.db2.gz MNCIJGASQKGCGZ-UHFFFAOYSA-N -1 3 297.289 3.174 20 0 CGADHM CC(=O)c1cc(Nc2cc(Cl)ncc2[O-])cs1 ZINC001214778264 815450084 /nfs/dbraw/zinc/45/00/84/815450084.db2.gz KBQVVNFXSVNQBY-UHFFFAOYSA-N -1 3 268.725 3.448 20 0 CGADHM CC[C@@H](C)NC(=S)Nc1ccc(C)c([O-])c1Cl ZINC001200487229 811703825 /nfs/dbraw/zinc/70/38/25/811703825.db2.gz MPXUFBHKSIXYKE-MRVPVSSYSA-N -1 3 272.801 3.439 20 0 CGADHM CC(=O)c1ccc(-c2noc(-c3ccccc3[O-])n2)cc1 ZINC001215142029 815487574 /nfs/dbraw/zinc/48/75/74/815487574.db2.gz IOMLQKIPJKJYJN-UHFFFAOYSA-N -1 3 280.283 3.312 20 0 CGADHM O=c1[nH]c2ccccc2cc1Nc1ncc(Cl)cc1[O-] ZINC001201753275 811959078 /nfs/dbraw/zinc/95/90/78/811959078.db2.gz UDBXQTXBTQEUQQ-UHFFFAOYSA-N -1 3 287.706 3.438 20 0 CGADHM COc1cccc(-c2nc(-c3cnc(C)c(C)c3)no2)c1[O-] ZINC001215143649 815489072 /nfs/dbraw/zinc/48/90/72/815489072.db2.gz ILKHVSYSGUDNJK-UHFFFAOYSA-N -1 3 297.314 3.130 20 0 CGADHM Cc1ccccc1NC(=O)Nc1cc(=O)[n-]c(C2CC2)n1 ZINC001202177482 812030192 /nfs/dbraw/zinc/03/01/92/812030192.db2.gz OQGISNBLYGLGBT-UHFFFAOYSA-N -1 3 284.319 3.012 20 0 CGADHM COc1cccc(NC(=O)Nc2ccc(F)c([O-])c2)c1 ZINC001202276788 812055103 /nfs/dbraw/zinc/05/51/03/812055103.db2.gz DPOFOIMRPFXOED-UHFFFAOYSA-N -1 3 276.267 3.184 20 0 CGADHM Cc1ccc(NC(=O)Nc2nc(C)ccc2[O-])cc1 ZINC001202422462 812088152 /nfs/dbraw/zinc/08/81/52/812088152.db2.gz MEIFLMNAXXXVHD-UHFFFAOYSA-N -1 3 257.293 3.048 20 0 CGADHM COc1ccc(Nc2cnc(C)[n-]c2=O)cc1OC(C)C ZINC001203016451 812218330 /nfs/dbraw/zinc/21/83/30/812218330.db2.gz GJIOKSNVBUWRKL-UHFFFAOYSA-N -1 3 289.335 3.030 20 0 CGADHM CCCOc1ccc(Nc2cnc(C)[n-]c2=O)c(F)c1F ZINC001203695488 812430810 /nfs/dbraw/zinc/43/08/10/812430810.db2.gz LJEDXLSOZRYKGY-UHFFFAOYSA-N -1 3 295.289 3.301 20 0 CGADHM CCOC(=O)c1occc1Nc1cc(F)c([O-])cc1F ZINC001215572312 815537702 /nfs/dbraw/zinc/53/77/02/815537702.db2.gz SVYFZMDGXJBUFT-UHFFFAOYSA-N -1 3 283.230 3.184 20 0 CGADHM COc1c([N-]c2nnc(C(C)C)o2)ccc(C)c1F ZINC001215599447 815544524 /nfs/dbraw/zinc/54/45/24/815544524.db2.gz HQGDRIOCNFDYIJ-UHFFFAOYSA-N -1 3 265.288 3.393 20 0 CGADHM CC(C)(C)c1nsc([N-]c2ccn3ccnc3c2)n1 ZINC001204951755 812794048 /nfs/dbraw/zinc/79/40/48/812794048.db2.gz ZKOQHRMTTDYEMX-UHFFFAOYSA-N -1 3 273.365 3.227 20 0 CGADHM CCOc1cnc(-c2ccc([O-])cc2C(F)(F)F)nc1 ZINC001205066135 812844798 /nfs/dbraw/zinc/84/47/98/812844798.db2.gz FXGUEFYMCYSVAL-UHFFFAOYSA-N -1 3 284.237 3.267 20 0 CGADHM Cc1ccc(Nc2cnn([C@@H]3CCOC3)c2)c(Cl)c1[O-] ZINC001205199781 812907293 /nfs/dbraw/zinc/90/72/93/812907293.db2.gz WYHUIAITZQDSIA-LLVKDONJSA-N -1 3 293.754 3.256 20 0 CGADHM Cc1nc2ccccc2c(-c2ccc([O-])cc2F)n1 ZINC001206021929 813168959 /nfs/dbraw/zinc/16/89/59/813168959.db2.gz UIGYYTRHKXTYKD-UHFFFAOYSA-N -1 3 254.264 3.450 20 0 CGADHM COc1ccc2nc(C)nc(-c3ccc([O-])cc3F)c2c1 ZINC001206029800 813171713 /nfs/dbraw/zinc/17/17/13/813171713.db2.gz JSOWMJOXRBNKBR-UHFFFAOYSA-N -1 3 284.290 3.459 20 0 CGADHM COc1ccc2ncc(-c3ccc([O-])cc3F)nc2c1 ZINC001206030506 813172929 /nfs/dbraw/zinc/17/29/29/813172929.db2.gz YULDXGRMVZZQCS-UHFFFAOYSA-N -1 3 270.263 3.150 20 0 CGADHM [O-]c1ccc(-c2ncnc3c(F)cccc32)c(F)c1 ZINC001206030049 813173091 /nfs/dbraw/zinc/17/30/91/813173091.db2.gz MPNLIKAIDIZIAX-UHFFFAOYSA-N -1 3 258.227 3.281 20 0 CGADHM Cc1cccc2ncc(-c3ccc([O-])cc3F)nc12 ZINC001206030416 813173319 /nfs/dbraw/zinc/17/33/19/813173319.db2.gz VWVBLZULAJCUSL-UHFFFAOYSA-N -1 3 254.264 3.450 20 0 CGADHM CSc1cc(-c2ccc([O-])cc2F)nc(SC)n1 ZINC001206044502 813179327 /nfs/dbraw/zinc/17/93/27/813179327.db2.gz OTPQIKQGCWUENA-UHFFFAOYSA-N -1 3 282.365 3.432 20 0 CGADHM [O-]c1ccc(-c2ncnc3c2CCCCC3)c(F)c1 ZINC001206044304 813179416 /nfs/dbraw/zinc/17/94/16/813179416.db2.gz IVHTYFHHTQZEOH-UHFFFAOYSA-N -1 3 258.296 3.257 20 0 CGADHM COC(=O)c1cc(F)ccc1-c1ccc([O-])cc1F ZINC001206051366 813181668 /nfs/dbraw/zinc/18/16/68/813181668.db2.gz KOJJMZCVTUFBFZ-UHFFFAOYSA-N -1 3 264.227 3.124 20 0 CGADHM [O-]c1ccc(-c2ccnc(-c3nccs3)n2)c(F)c1 ZINC001206051948 813183300 /nfs/dbraw/zinc/18/33/00/813183300.db2.gz TWBFGBQFSOXOPY-UHFFFAOYSA-N -1 3 273.292 3.112 20 0 CGADHM [O-]c1ccc(-c2cncc(OC(F)(F)F)c2)c(F)c1 ZINC001206080302 813193423 /nfs/dbraw/zinc/19/34/23/813193423.db2.gz ICFSLTOHTDLGDF-UHFFFAOYSA-N -1 3 273.185 3.492 20 0 CGADHM C[C@@H]1CN(Cc2ncc(Br)cc2[O-])[C@@H](C)[C@H]1C ZINC001206342829 813295610 /nfs/dbraw/zinc/29/56/10/813295610.db2.gz MKUCCBYLISESGG-UTLUCORTSA-N -1 3 299.212 3.026 20 0 CGADHM [O-]c1ccc(Nc2ccc3c(c2)NCCO3)c(F)c1F ZINC001209797271 814144704 /nfs/dbraw/zinc/14/47/04/814144704.db2.gz VFNHQCDLAYAIRI-UHFFFAOYSA-N -1 3 278.258 3.218 20 0 CGADHM [O-]c1cc(Nc2ccc3[nH]cnc3c2)cc(F)c1F ZINC001209848981 814168239 /nfs/dbraw/zinc/16/82/39/814168239.db2.gz QZFUVVGHSZUJCO-UHFFFAOYSA-N -1 3 261.231 3.290 20 0 CGADHM Cc1cc(Nc2cc(=O)n(-c3ccccc3)[n-]2)ccc1O ZINC001209973533 814223244 /nfs/dbraw/zinc/22/32/44/814223244.db2.gz AKAKYZHGBGSNFF-UHFFFAOYSA-N -1 3 281.315 3.336 20 0 CGADHM Cc1ncc(Nc2cc(Cl)cc(C)c2F)c(=O)[n-]1 ZINC001210025548 814251223 /nfs/dbraw/zinc/25/12/23/814251223.db2.gz NFEBHPOYZPCWOK-UHFFFAOYSA-N -1 3 267.691 3.335 20 0 CGADHM COc1cccnc1Nc1cccc(Cl)c1[O-] ZINC001210215777 814345139 /nfs/dbraw/zinc/34/51/39/814345139.db2.gz MLCADYPBIJSQBS-UHFFFAOYSA-N -1 3 250.685 3.193 20 0 CGADHM Cn1ncc2cc(Nc3cccc(Cl)c3[O-])cnc21 ZINC001210219951 814346198 /nfs/dbraw/zinc/34/61/98/814346198.db2.gz STIDJWIMIHHEAL-UHFFFAOYSA-N -1 3 274.711 3.071 20 0 CGADHM Cc1c[nH]c(=O)cc1Nc1cccc(Cl)c1[O-] ZINC001210218688 814347112 /nfs/dbraw/zinc/34/71/12/814347112.db2.gz LFNCREGTRMZZPK-UHFFFAOYSA-N -1 3 250.685 3.198 20 0 CGADHM COC(=O)c1cccc(Nc2cccc(Cl)c2[O-])c1O ZINC001210222290 814348445 /nfs/dbraw/zinc/34/84/45/814348445.db2.gz ZDMFZDYENIQMNP-UHFFFAOYSA-N -1 3 293.706 3.281 20 0 CGADHM COc1cc(CO)cc(Nc2cccc(Cl)c2[O-])c1 ZINC001210222429 814348464 /nfs/dbraw/zinc/34/84/64/814348464.db2.gz HILQVWMVQVGFII-UHFFFAOYSA-N -1 3 279.723 3.290 20 0 CGADHM [O-]c1c(Cl)cccc1Nc1c(F)cccc1CO ZINC001210222964 814351537 /nfs/dbraw/zinc/35/15/37/814351537.db2.gz FXJWEASPTXTZMT-UHFFFAOYSA-N -1 3 267.687 3.421 20 0 CGADHM COc1ccc(CO)cc1Nc1cccc(Cl)c1[O-] ZINC001210222812 814351714 /nfs/dbraw/zinc/35/17/14/814351714.db2.gz AZNWVJPITDQPQK-UHFFFAOYSA-N -1 3 279.723 3.290 20 0 CGADHM COCCCn1cc(Nc2cccc([O-])c2Cl)cn1 ZINC001210423430 814452319 /nfs/dbraw/zinc/45/23/19/814452319.db2.gz HFHYTAOSCONKFI-UHFFFAOYSA-N -1 3 281.743 3.022 20 0 CGADHM C[C@@H](O)c1cccc(Nc2cc(F)c([O-])c(F)c2)c1 ZINC001210509725 814499034 /nfs/dbraw/zinc/49/90/34/814499034.db2.gz UTGRUUJGGFIPEV-MRVPVSSYSA-N -1 3 265.259 3.467 20 0 CGADHM c1ccc2nc(-c3ccccc3-c3nnn[n-]3)ccc2c1 ZINC001242774651 823129337 /nfs/dbraw/zinc/12/93/37/823129337.db2.gz ZARWOWOJZFBFBK-UHFFFAOYSA-N -1 3 273.299 3.082 20 0 CGADHM c1ccc2nc(-c3ccccc3-c3nn[n-]n3)ccc2c1 ZINC001242774651 823129339 /nfs/dbraw/zinc/12/93/39/823129339.db2.gz ZARWOWOJZFBFBK-UHFFFAOYSA-N -1 3 273.299 3.082 20 0 CGADHM c1ccc2nc(-c3ccc(Cc4nnn[n-]4)cc3)ccc2c1 ZINC001242776309 823129662 /nfs/dbraw/zinc/12/96/62/823129662.db2.gz HZSGEIBADVJKTP-UHFFFAOYSA-N -1 3 287.326 3.006 20 0 CGADHM c1ccc2nc(-c3ccc(Cc4nn[n-]n4)cc3)ccc2c1 ZINC001242776309 823129663 /nfs/dbraw/zinc/12/96/63/823129663.db2.gz HZSGEIBADVJKTP-UHFFFAOYSA-N -1 3 287.326 3.006 20 0 CGADHM Fc1cc(-c2ccc3ccccc3n2)ccc1-c1nnn[n-]1 ZINC001242776066 823129735 /nfs/dbraw/zinc/12/97/35/823129735.db2.gz FOWPQRZGDLHKKG-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Fc1cc(-c2ccc3ccccc3n2)ccc1-c1nn[n-]n1 ZINC001242776066 823129737 /nfs/dbraw/zinc/12/97/37/823129737.db2.gz FOWPQRZGDLHKKG-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM [O-]c1cc(-c2ncc3cccnc3n2)cc(C(F)(F)F)c1 ZINC001242779899 823131127 /nfs/dbraw/zinc/13/11/27/823131127.db2.gz AZGPRMSHDCXGOT-UHFFFAOYSA-N -1 3 291.232 3.416 20 0 CGADHM O=C1Cc2ccc(Nc3cccc([O-])c3Cl)cc2N1 ZINC001210854671 814651935 /nfs/dbraw/zinc/65/19/35/814651935.db2.gz JVEPDUOKELUQAO-UHFFFAOYSA-N -1 3 274.707 3.284 20 0 CGADHM NC(=O)c1cc(F)cc(Nc2cccc([O-])c2Cl)c1 ZINC001210855366 814652048 /nfs/dbraw/zinc/65/20/48/814652048.db2.gz XYNFCXTYRAEIAX-UHFFFAOYSA-N -1 3 280.686 3.027 20 0 CGADHM [O-]c1cccc(Nc2ccnn2Br)c1Cl ZINC001210854973 814652113 /nfs/dbraw/zinc/65/21/13/814652113.db2.gz GRJWAAXIAGKRTM-UHFFFAOYSA-N -1 3 288.532 3.144 20 0 CGADHM O=C1NCc2cc(Nc3cccc([O-])c3Cl)ccc2N1 ZINC001210859120 814653479 /nfs/dbraw/zinc/65/34/79/814653479.db2.gz BCIHQSZEVDTQEF-UHFFFAOYSA-N -1 3 289.722 3.424 20 0 CGADHM O=C1OCc2cccc(Nc3cccc([O-])c3Cl)c21 ZINC001210859718 814653850 /nfs/dbraw/zinc/65/38/50/814653850.db2.gz LMFRMYPPQNDOOV-UHFFFAOYSA-N -1 3 275.691 3.460 20 0 CGADHM Cc1ncc(Nc2cnc(F)c(-c3ccccc3)c2)c(=O)[n-]1 ZINC001215960097 815642954 /nfs/dbraw/zinc/64/29/54/815642954.db2.gz DFPPIMBLAPHQNF-UHFFFAOYSA-N -1 3 296.305 3.435 20 0 CGADHM COc1cc(CO)cc(Nc2ccc([O-])c(Cl)c2)c1 ZINC001216202673 815736451 /nfs/dbraw/zinc/73/64/51/815736451.db2.gz XQYGLLQKCMTQRV-UHFFFAOYSA-N -1 3 279.723 3.290 20 0 CGADHM Cc1c(Cl)cccc1Nc1ccc(C(N)=O)c([O-])c1 ZINC001216325406 815785083 /nfs/dbraw/zinc/78/50/83/815785083.db2.gz UORRSTPDADJVFN-UHFFFAOYSA-N -1 3 276.723 3.197 20 0 CGADHM COc1c(O)cccc1Nc1nc2c(cccc2[O-])s1 ZINC001216346781 815794659 /nfs/dbraw/zinc/79/46/59/815794659.db2.gz KPNMYJMRAUAWMD-UHFFFAOYSA-N -1 3 288.328 3.460 20 0 CGADHM COc1cc(C)c(C)cc1Nc1cc(=O)[n-]c(C2CC2)n1 ZINC001216373218 815802622 /nfs/dbraw/zinc/80/26/22/815802622.db2.gz BMFUSDYVEKJYDA-UHFFFAOYSA-N -1 3 285.347 3.429 20 0 CGADHM CC(C)(C)c1nc([N-]c2cccc(Cl)c2N)no1 ZINC001216523788 815849053 /nfs/dbraw/zinc/84/90/53/815849053.db2.gz ADZICUYULKEVMP-UHFFFAOYSA-N -1 3 266.732 3.346 20 0 CGADHM Cc1cnccc1-c1noc(-c2cc([O-])cc(Cl)c2)n1 ZINC001216701981 815895176 /nfs/dbraw/zinc/89/51/76/815895176.db2.gz FXIGHBLYSBSYOZ-UHFFFAOYSA-N -1 3 287.706 3.466 20 0 CGADHM COc1cc(C)cc(-c2noc(-c3cc(O)ccc3[O-])n2)c1 ZINC001216735835 815895882 /nfs/dbraw/zinc/89/58/82/815895882.db2.gz YSMLEHDMGDHMOF-UHFFFAOYSA-N -1 3 298.298 3.132 20 0 CGADHM Cc1ccnc(-c2noc(-c3cc([O-])c(C)c(F)c3)n2)c1 ZINC001216895320 815900319 /nfs/dbraw/zinc/90/03/19/815900319.db2.gz MHTGGQRRCNKXMD-UHFFFAOYSA-N -1 3 285.278 3.260 20 0 CGADHM CCOc1cccc(-c2nc(-c3ccncc3C)no2)c1[O-] ZINC001216956114 815903245 /nfs/dbraw/zinc/90/32/45/815903245.db2.gz LAVQGDQDCXIZLZ-UHFFFAOYSA-N -1 3 297.314 3.211 20 0 CGADHM Nc1cc(C(=O)Nc2ccc(F)c([O-])c2)ccc1Cl ZINC001218877670 816256898 /nfs/dbraw/zinc/25/68/98/816256898.db2.gz OASGORGGJJABFP-UHFFFAOYSA-N -1 3 280.686 3.019 20 0 CGADHM O=C1c2c(cccc2-c2ccc(F)c([O-])c2)CN1C1CC1 ZINC001243047475 823224892 /nfs/dbraw/zinc/22/48/92/823224892.db2.gz SUASSNIDYOSJEY-UHFFFAOYSA-N -1 3 283.302 3.317 20 0 CGADHM COc1cc(-c2ccc(F)c([O-])c2)cc(F)c1F ZINC001243048530 823225398 /nfs/dbraw/zinc/22/53/98/823225398.db2.gz HJVQHTGMLGETJS-UHFFFAOYSA-N -1 3 254.207 3.485 20 0 CGADHM [O-]c1cc(-c2ccc(C3OCCO3)c(F)c2)ccc1F ZINC001243048896 823225691 /nfs/dbraw/zinc/22/56/91/823225691.db2.gz MRVDVCVZARQPLT-UHFFFAOYSA-N -1 3 278.254 3.383 20 0 CGADHM COC(=O)c1c(F)c(C)ccc1-c1ccc(F)c([O-])c1 ZINC001243048323 823225848 /nfs/dbraw/zinc/22/58/48/823225848.db2.gz WGWIUSFUKRYTHB-UHFFFAOYSA-N -1 3 278.254 3.432 20 0 CGADHM [O-]c1cc(-c2cncc(N3CCCCCC3)n2)ccc1F ZINC001243048725 823226007 /nfs/dbraw/zinc/22/60/07/823226007.db2.gz HIABMSUQAUKCIQ-UHFFFAOYSA-N -1 3 287.338 3.369 20 0 CGADHM [O-]c1cc(-c2ccccc2Cn2ccnc2)ccc1F ZINC001243049919 823226563 /nfs/dbraw/zinc/22/65/63/823226563.db2.gz CHTTYEGTLYRMRH-UHFFFAOYSA-N -1 3 268.291 3.443 20 0 CGADHM [O-]c1cc(-c2nc(CC3CC3)nc3[nH]ccc32)ccc1F ZINC001243049694 823226676 /nfs/dbraw/zinc/22/66/76/823226676.db2.gz OLWBIVCDWFOCMB-UHFFFAOYSA-N -1 3 283.306 3.374 20 0 CGADHM [O-]c1cc(-c2ccc(OC(F)(F)F)nc2)ccc1F ZINC001243052022 823228763 /nfs/dbraw/zinc/22/87/63/823228763.db2.gz SZJHRWJTVKNYBI-UHFFFAOYSA-N -1 3 273.185 3.492 20 0 CGADHM COC(=O)c1cc(F)c(-c2ccc(F)c([O-])c2)cc1F ZINC001243061640 823231871 /nfs/dbraw/zinc/23/18/71/823231871.db2.gz JJTWWMROSCJLBD-UHFFFAOYSA-N -1 3 282.217 3.263 20 0 CGADHM CCN(CC)C(=O)c1ccc(-c2ccc(F)c([O-])c2)cn1 ZINC001243060984 823232364 /nfs/dbraw/zinc/23/23/64/823232364.db2.gz BNAHBCDBQVHEBH-UHFFFAOYSA-N -1 3 288.322 3.075 20 0 CGADHM C[C@H]1CCC[C@H](C)C1Oc1ccc2c([O-])coc2c1 ZINC001225340050 817016689 /nfs/dbraw/zinc/01/66/89/817016689.db2.gz AUZILBQJHQLFJM-QWRGUYRKSA-N -1 3 260.333 3.465 20 0 CGADHM O=C1CC[C@@H](Oc2ccc3c([O-])coc3c2)c2ccccc21 ZINC001225343380 817019118 /nfs/dbraw/zinc/01/91/18/817019118.db2.gz VGUJGKVUWYKIKV-QGZVFWFLSA-N -1 3 294.306 3.358 20 0 CGADHM Cc1cnc(=S)[n-]c1O[C@H](C)c1c(F)cccc1F ZINC001225742636 817163691 /nfs/dbraw/zinc/16/36/91/817163691.db2.gz OBVOOOBXUNAKHI-MRVPVSSYSA-N -1 3 282.315 3.492 20 0 CGADHM Cc1cnc(=S)[n-]c1O[C@@H](C)c1cccnc1Cl ZINC001225743591 817163812 /nfs/dbraw/zinc/16/38/12/817163812.db2.gz YBCMVTKTCSZOHW-QMMMGPOBSA-N -1 3 281.768 3.262 20 0 CGADHM c1c2ccccc2[nH]c1-c1ccc(-c2nnn[n-]2)cc1 ZINC001243107838 823250408 /nfs/dbraw/zinc/25/04/08/823250408.db2.gz NPMKMIGECJZGNS-UHFFFAOYSA-N -1 3 261.288 3.015 20 0 CGADHM c1c2ccccc2[nH]c1-c1ccc(-c2nn[n-]n2)cc1 ZINC001243107838 823250409 /nfs/dbraw/zinc/25/04/09/823250409.db2.gz NPMKMIGECJZGNS-UHFFFAOYSA-N -1 3 261.288 3.015 20 0 CGADHM Cc1c(=O)[n-]cnc1O[C@H]1CCc2ccc(Cl)cc21 ZINC001226076032 817265933 /nfs/dbraw/zinc/26/59/33/817265933.db2.gz KTUFGDVDTAFCSD-LBPRGKRZSA-N -1 3 276.723 3.210 20 0 CGADHM Cc1cc(=O)oc2cc([O-])c(O[C@H](C)C(C)C)cc12 ZINC001226531544 817388977 /nfs/dbraw/zinc/38/89/77/817388977.db2.gz CIPXPVYZUYOCAN-SNVBAGLBSA-N -1 3 262.305 3.230 20 0 CGADHM CC1CCC(Oc2c([O-])ccc3ccc(=O)oc32)CC1 ZINC001226594809 817408171 /nfs/dbraw/zinc/40/81/71/817408171.db2.gz BXUQAICITGQNIC-UHFFFAOYSA-N -1 3 274.316 3.456 20 0 CGADHM C[C@H]1CCC[C@H]1Oc1c([O-])ccc2ccc(=O)oc21 ZINC001226597876 817409828 /nfs/dbraw/zinc/40/98/28/817409828.db2.gz WZKRPIVWBXXQMM-JOYOIKCWSA-N -1 3 260.289 3.066 20 0 CGADHM COC(=O)[C@H]1CC[C@@H](Oc2cccc([O-])c2Cl)CC1 ZINC001226709728 817440136 /nfs/dbraw/zinc/44/01/36/817440136.db2.gz QKGYOEKGWPKIQO-AOOOYVTPSA-N -1 3 284.739 3.156 20 0 CGADHM [O-]c1cccc(OC[C@H]2Cc3ccccc3O2)c1Cl ZINC001226711401 817442592 /nfs/dbraw/zinc/44/25/92/817442592.db2.gz KMUCXZOLBVTLQT-LLVKDONJSA-N -1 3 276.719 3.428 20 0 CGADHM C[C@@H](Oc1ccnc(=S)[n-]1)c1ccccc1F ZINC001226937846 817510090 /nfs/dbraw/zinc/51/00/90/817510090.db2.gz RZRBFQCBDPILQB-MRVPVSSYSA-N -1 3 250.298 3.044 20 0 CGADHM C[C@@H](Oc1ccnc(=S)[n-]1)c1c(F)cccc1F ZINC001226936594 817510542 /nfs/dbraw/zinc/51/05/42/817510542.db2.gz KAOZLMQOEHHCMP-SSDOTTSWSA-N -1 3 268.288 3.184 20 0 CGADHM CCc1cnc(=S)[n-]c1O[C@@H]1CCc2ccccc21 ZINC001227056711 817545613 /nfs/dbraw/zinc/54/56/13/817545613.db2.gz SVEITNGKFWXCRZ-CYBMUJFWSA-N -1 3 272.373 3.394 20 0 CGADHM CCCC(=O)[C@@H](CCC)Oc1[n-]c(=S)ncc1CC ZINC001227061619 817547158 /nfs/dbraw/zinc/54/71/58/817547158.db2.gz LBKCYNWIDCHTQU-GFCCVEGCSA-N -1 3 282.409 3.244 20 0 CGADHM CCc1cnc(=S)[n-]c1OC1CC(C)(C)OC(C)(C)C1 ZINC001227064092 817548362 /nfs/dbraw/zinc/54/83/62/817548362.db2.gz PRVGTWBETRMNJL-UHFFFAOYSA-N -1 3 296.436 3.443 20 0 CGADHM CCCCC1CCC(Oc2ccc(=O)[n-]n2)CC1 ZINC001227092713 817554851 /nfs/dbraw/zinc/55/48/51/817554851.db2.gz CPHBLBACQAVEFO-UHFFFAOYSA-N -1 3 250.342 3.310 20 0 CGADHM C[C@H](Oc1ccc(=O)[n-]n1)c1ccccc1Br ZINC001227095525 817556488 /nfs/dbraw/zinc/55/64/88/817556488.db2.gz REHNIMYCSKSFPU-QMMMGPOBSA-N -1 3 295.136 3.085 20 0 CGADHM CC[C@H](C)Oc1cccc([O-])c1I ZINC001227380070 817635953 /nfs/dbraw/zinc/63/59/53/817635953.db2.gz JWRJDCIIPLEYMR-ZETCQYMHSA-N -1 3 292.116 3.174 20 0 CGADHM [O-]c1cc(Cl)c(O[C@@H]2CCc3nccn3C2)cc1Cl ZINC001227646661 817687359 /nfs/dbraw/zinc/68/73/59/817687359.db2.gz UPWIMURMTCHOPQ-MRVPVSSYSA-N -1 3 299.157 3.289 20 0 CGADHM C[C@@H](COC(C)(C)C)Oc1ncc(Cl)cc1[O-] ZINC001227983119 817772860 /nfs/dbraw/zinc/77/28/60/817772860.db2.gz LHSVIOWJAYZFAW-QMMMGPOBSA-N -1 3 259.733 3.023 20 0 CGADHM CC[C@H]1CCCC[C@H]1Oc1n[n-]c(-c2ccncc2)n1 ZINC001228697640 817977215 /nfs/dbraw/zinc/97/72/15/817977215.db2.gz MSPRCISNEKLOJG-WCQYABFASA-N -1 3 272.352 3.214 20 0 CGADHM Cc1ccccc1[C@@H](C)Oc1nnc(-c2cccnc2)[n-]1 ZINC001228697479 817977860 /nfs/dbraw/zinc/97/78/60/817977860.db2.gz JEXIPDIAPGVBGG-GFCCVEGCSA-N -1 3 280.331 3.315 20 0 CGADHM Cc1ccccc1[C@@H](C)Oc1nc(-c2cccnc2)n[n-]1 ZINC001228697479 817977865 /nfs/dbraw/zinc/97/78/65/817977865.db2.gz JEXIPDIAPGVBGG-GFCCVEGCSA-N -1 3 280.331 3.315 20 0 CGADHM Cc1ccccc1[C@@H](C)Oc1n[n-]c(-c2cccnc2)n1 ZINC001228697479 817977870 /nfs/dbraw/zinc/97/78/70/817977870.db2.gz JEXIPDIAPGVBGG-GFCCVEGCSA-N -1 3 280.331 3.315 20 0 CGADHM c1ccc2c(c1)CCC[C@H]2Oc1n[n-]c(-c2ccncc2)n1 ZINC001228697092 817978076 /nfs/dbraw/zinc/97/80/76/817978076.db2.gz HLJLFONWIDMPDX-OAHLLOKOSA-N -1 3 292.342 3.323 20 0 CGADHM O=C1CCc2cc([O-])c(O[C@H]3CCCC[C@H]3F)cc21 ZINC001228854291 818023927 /nfs/dbraw/zinc/02/39/27/818023927.db2.gz QMUQLLNKELVPCP-RISCZKNCSA-N -1 3 264.296 3.181 20 0 CGADHM C[C@@H](Oc1cc2c(cc1[O-])CCC2=O)c1cccnc1F ZINC001228854255 818024219 /nfs/dbraw/zinc/02/42/19/818024219.db2.gz PPFKJFKXGAKGAD-SECBINFHSA-N -1 3 287.290 3.195 20 0 CGADHM Cc1ccc([O-])c(CN(C)Cc2cccc(F)c2F)n1 ZINC001231674675 818157283 /nfs/dbraw/zinc/15/72/83/818157283.db2.gz CXUXNDRGCYIGGI-UHFFFAOYSA-N -1 3 278.302 3.006 20 0 CGADHM CCOc1cc(F)c(F)cc1-c1ccc(=S)[n-]n1 ZINC001243276208 823321706 /nfs/dbraw/zinc/32/17/06/823321706.db2.gz KXAAWYKKAMPFGA-UHFFFAOYSA-N -1 3 268.288 3.109 20 0 CGADHM [O-]c1c(F)ccc(CN2CC[C@@H]3CCC[C@H]3C2)c1F ZINC001232934880 818477249 /nfs/dbraw/zinc/47/72/49/818477249.db2.gz XCHCHVJMIBAGCT-QWRGUYRKSA-N -1 3 267.319 3.292 20 0 CGADHM [O-]c1c(F)ccc(CN2CC[C@H](c3cccnc3)C2)c1F ZINC001232935157 818477629 /nfs/dbraw/zinc/47/76/29/818477629.db2.gz OAALHSYBZXWTEZ-LBPRGKRZSA-N -1 3 290.313 3.055 20 0 CGADHM CC1(C)CCN(Cc2cc(Cl)ncc2[O-])CC1 ZINC001233036032 818503973 /nfs/dbraw/zinc/50/39/73/818503973.db2.gz KDKNKPMJFWACDZ-UHFFFAOYSA-N -1 3 254.761 3.063 20 0 CGADHM CN(Cc1ccc(F)cc1)Cc1cc(Cl)ncc1[O-] ZINC001233031385 818504555 /nfs/dbraw/zinc/50/45/55/818504555.db2.gz AYZJGZGJARMPSQ-UHFFFAOYSA-N -1 3 280.730 3.212 20 0 CGADHM [O-]c1cccc(CN2C[C@@H](CF)[C@H](C(F)(F)F)C2)c1F ZINC001233049982 818510124 /nfs/dbraw/zinc/51/01/24/818510124.db2.gz KBPJWJPGVKXCLC-NXEZZACHSA-N -1 3 295.251 3.111 20 0 CGADHM COc1ccc(CN(C)C[C@H]2CCCCO2)c(Cl)c1[O-] ZINC001233400410 818610204 /nfs/dbraw/zinc/61/02/04/818610204.db2.gz HSEQXBYAHRQRIH-GFCCVEGCSA-N -1 3 299.798 3.055 20 0 CGADHM COC(=O)[C@@H]1CCC[C@@H]1Oc1cc(Cl)c([O-])cc1C ZINC001233590778 818650559 /nfs/dbraw/zinc/65/05/59/818650559.db2.gz AMZWSNLZVXSYIB-SKDRFNHKSA-N -1 3 284.739 3.075 20 0 CGADHM CCCOC(=O)[C@H](C)Oc1cc(Cl)c([O-])cc1C ZINC001233593000 818652001 /nfs/dbraw/zinc/65/20/01/818652001.db2.gz SJLLQKGOZXSJSY-VIFPVBQESA-N -1 3 272.728 3.075 20 0 CGADHM [O-]c1cccc(O[C@@H]2CCOc3ccccc32)c1F ZINC001233872377 818721609 /nfs/dbraw/zinc/72/16/09/818721609.db2.gz UCHFPSZIXWWGNA-CYBMUJFWSA-N -1 3 260.264 3.434 20 0 CGADHM [O-]c1ccc(Cl)c(OC2CC(F)(F)C2)c1F ZINC001234266169 818821202 /nfs/dbraw/zinc/82/12/02/818821202.db2.gz ZHCPOIYEURQVSM-UHFFFAOYSA-N -1 3 252.619 3.361 20 0 CGADHM [O-]c1cccc2[nH]c(O[C@H]3CCCc4cccnc43)nc21 ZINC001234445587 818856538 /nfs/dbraw/zinc/85/65/38/818856538.db2.gz AEJXXJPMLGSCQR-ZDUSSCGKSA-N -1 3 281.315 3.120 20 0 CGADHM C[C@H](Oc1c([O-])cc(Cl)cc1F)c1ncccn1 ZINC001234445953 818857572 /nfs/dbraw/zinc/85/75/72/818857572.db2.gz CTLGIDYKTTZYFC-ZETCQYMHSA-N -1 3 268.675 3.115 20 0 CGADHM C[C@H](COc1nc2c(cccc2[O-])[nH]1)Oc1ccccc1 ZINC001234447996 818857998 /nfs/dbraw/zinc/85/79/98/818857998.db2.gz RZTCNYZWDFDXNH-LLVKDONJSA-N -1 3 284.315 3.115 20 0 CGADHM [O-]c1cccc2[nH]c(O[C@H]3CCc4ccccc4C3)nc21 ZINC001234448721 818858097 /nfs/dbraw/zinc/85/80/97/818858097.db2.gz YCNAPBXVCAOCHM-ZDUSSCGKSA-N -1 3 280.327 3.205 20 0 CGADHM COc1cc([O-])c(C)c(OC(C2CC2)C2CC2)c1C(C)=O ZINC001234791292 818924609 /nfs/dbraw/zinc/92/46/09/818924609.db2.gz MIPDPLOVSXIKPX-UHFFFAOYSA-N -1 3 290.359 3.479 20 0 CGADHM CC(C)(C)C(=O)OC1CC(Oc2nc3ccsc3[n-]2)C1 ZINC001234847147 818932116 /nfs/dbraw/zinc/93/21/16/818932116.db2.gz GVQBJZKSKBMRRT-UHFFFAOYSA-N -1 3 294.376 3.124 20 0 CGADHM CC(C)(C)C(=O)OC1CC(Oc2nc3sccc3[n-]2)C1 ZINC001234847147 818932120 /nfs/dbraw/zinc/93/21/20/818932120.db2.gz GVQBJZKSKBMRRT-UHFFFAOYSA-N -1 3 294.376 3.124 20 0 CGADHM CC1(C)CC(Oc2nc3ccsc3[n-]2)CC(C)(C)N1O ZINC001234851797 818934852 /nfs/dbraw/zinc/93/48/52/818934852.db2.gz OKIQAVGJIVAPBK-UHFFFAOYSA-N -1 3 295.408 3.414 20 0 CGADHM CC1(C)CC(Oc2nc3sccc3[n-]2)CC(C)(C)N1O ZINC001234851797 818934859 /nfs/dbraw/zinc/93/48/59/818934859.db2.gz OKIQAVGJIVAPBK-UHFFFAOYSA-N -1 3 295.408 3.414 20 0 CGADHM Cc1noc(-c2ccnc(-c3cc([O-])cc(Cl)c3)c2)n1 ZINC001235901482 819212016 /nfs/dbraw/zinc/21/20/16/819212016.db2.gz VUNORKJVNYQNDZ-UHFFFAOYSA-N -1 3 287.706 3.466 20 0 CGADHM [O-]c1cc(Cl)cc(-c2cnc(OC(F)(F)F)cn2)c1 ZINC001235905432 819216006 /nfs/dbraw/zinc/21/60/06/819216006.db2.gz XYFVVMJXFPLCSY-UHFFFAOYSA-N -1 3 290.628 3.401 20 0 CGADHM CC(C)Oc1cc(F)ccc1-c1cccc(-c2nnn[n-]2)c1 ZINC001243436730 823405510 /nfs/dbraw/zinc/40/55/10/823405510.db2.gz CWHVQSAQPWJYNK-UHFFFAOYSA-N -1 3 298.321 3.460 20 0 CGADHM CC(C)Oc1cc(F)ccc1-c1cccc(-c2nn[n-]n2)c1 ZINC001243436730 823405512 /nfs/dbraw/zinc/40/55/12/823405512.db2.gz CWHVQSAQPWJYNK-UHFFFAOYSA-N -1 3 298.321 3.460 20 0 CGADHM [O-]c1cc(CN2CCO[C@H](c3ccccc3)C2)ccc1F ZINC001236706555 819577593 /nfs/dbraw/zinc/57/75/93/819577593.db2.gz ZHZQOLYRCLZILR-KRWDZBQOSA-N -1 3 287.334 3.105 20 0 CGADHM [O-]c1cc(CN2CCOC[C@@H]2C2CCCCC2)ccc1F ZINC001236707745 819578546 /nfs/dbraw/zinc/57/85/46/819578546.db2.gz KIXFAONFJWEIIF-MRXNPFEDSA-N -1 3 293.382 3.312 20 0 CGADHM C[S@@](=N)(=O)c1ccc(-c2cccc([O-])c2F)cc1 ZINC001243547983 823440300 /nfs/dbraw/zinc/44/03/00/823440300.db2.gz XCNIGYVQZBLSOF-GOSISDBHSA-N -1 3 265.309 3.234 20 0 CGADHM COCCOc1ccc(-c2cccc([O-])c2F)cc1 ZINC001243544941 823437533 /nfs/dbraw/zinc/43/75/33/823437533.db2.gz KYLHOMQZZBKQMW-UHFFFAOYSA-N -1 3 262.280 3.224 20 0 CGADHM [O-]c1cccc(-c2cnc(OCC3CCC3)nc2)c1F ZINC001243546550 823438678 /nfs/dbraw/zinc/43/86/78/823438678.db2.gz OWVIFCNXOGODND-UHFFFAOYSA-N -1 3 274.295 3.167 20 0 CGADHM Nc1cnc2cc(-c3cccc([O-])c3F)ccc2c1 ZINC001243546002 823438750 /nfs/dbraw/zinc/43/87/50/823438750.db2.gz UBIQHXNECPBLNU-UHFFFAOYSA-N -1 3 254.264 3.329 20 0 CGADHM CCOC(=O)c1ccccc1-c1cccc([O-])c1F ZINC001243547515 823439563 /nfs/dbraw/zinc/43/95/63/823439563.db2.gz SOPLILMLXXVTCI-UHFFFAOYSA-N -1 3 260.264 3.375 20 0 CGADHM CC1(C)[C@@H]2CN(Cc3cc(Cl)c([O-])cc3F)C[C@@H]21 ZINC001238149619 819943398 /nfs/dbraw/zinc/94/33/98/819943398.db2.gz JQDCTGLJKGLQKW-AOOOYVTPSA-N -1 3 269.747 3.273 20 0 CGADHM Fc1c(Cl)cccc1-c1ccc(-c2nnn[n-]2)cc1 ZINC001238958511 820168937 /nfs/dbraw/zinc/16/89/37/820168937.db2.gz MGRMIPUZWKIRKV-UHFFFAOYSA-N -1 3 274.686 3.326 20 0 CGADHM Fc1c(Cl)cccc1-c1ccc(-c2nn[n-]n2)cc1 ZINC001238958511 820168941 /nfs/dbraw/zinc/16/89/41/820168941.db2.gz MGRMIPUZWKIRKV-UHFFFAOYSA-N -1 3 274.686 3.326 20 0 CGADHM CSc1ccc(-c2ccc(-c3nnn[n-]3)cc2C)c(C)n1 ZINC001243593777 823460473 /nfs/dbraw/zinc/46/04/73/823460473.db2.gz JZTHDVLZALQNDS-UHFFFAOYSA-N -1 3 297.387 3.267 20 0 CGADHM CSc1ccc(-c2ccc(-c3nn[n-]n3)cc2C)c(C)n1 ZINC001243593777 823460476 /nfs/dbraw/zinc/46/04/76/823460476.db2.gz JZTHDVLZALQNDS-UHFFFAOYSA-N -1 3 297.387 3.267 20 0 CGADHM Cc1ccc(-c2cc(F)ccc2F)cc1-c1nnn[n-]1 ZINC001239711493 820538990 /nfs/dbraw/zinc/53/89/90/820538990.db2.gz CTOYGSQHBHPMDU-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM Cc1ccc(-c2cc(F)ccc2F)cc1-c1nn[n-]n1 ZINC001239711493 820538996 /nfs/dbraw/zinc/53/89/96/820538996.db2.gz CTOYGSQHBHPMDU-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM Cc1cc(F)ccc1-c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001239740689 820563055 /nfs/dbraw/zinc/56/30/55/820563055.db2.gz FVYGSOQEGAQQLS-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM Cc1cc(F)ccc1-c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001239740689 820563058 /nfs/dbraw/zinc/56/30/58/820563058.db2.gz FVYGSOQEGAQQLS-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM Fc1ccc(-c2nnn[n-]2)cc1-c1cnc2ccccc2c1 ZINC001239795307 820610428 /nfs/dbraw/zinc/61/04/28/820610428.db2.gz QZAJDWHSOHMZKD-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Fc1ccc(-c2nn[n-]n2)cc1-c1cnc2ccccc2c1 ZINC001239795307 820610432 /nfs/dbraw/zinc/61/04/32/820610432.db2.gz QZAJDWHSOHMZKD-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Cc1sccc1-c1cc(-c2nnn[n-]2)ccc1F ZINC001240501051 821098415 /nfs/dbraw/zinc/09/84/15/821098415.db2.gz IEEVBQJSPDPXEG-UHFFFAOYSA-N -1 3 260.297 3.043 20 0 CGADHM Cc1sccc1-c1cc(-c2nn[n-]n2)ccc1F ZINC001240501051 821098422 /nfs/dbraw/zinc/09/84/22/821098422.db2.gz IEEVBQJSPDPXEG-UHFFFAOYSA-N -1 3 260.297 3.043 20 0 CGADHM Oc1ccc(F)cc1-c1cc(C(F)(F)F)[n-]c(=S)n1 ZINC001240693581 821249085 /nfs/dbraw/zinc/24/90/85/821249085.db2.gz GKDGRWZOYOOOJD-UHFFFAOYSA-N -1 3 290.241 3.296 20 0 CGADHM Fc1ccc(-c2nnn[n-]2)cc1-c1ccc2cc[nH]c2c1 ZINC001240797690 821340907 /nfs/dbraw/zinc/34/09/07/821340907.db2.gz GGNUYJUDGVPKHT-UHFFFAOYSA-N -1 3 279.278 3.154 20 0 CGADHM Fc1ccc(-c2nn[n-]n2)cc1-c1ccc2cc[nH]c2c1 ZINC001240797690 821340917 /nfs/dbraw/zinc/34/09/17/821340917.db2.gz GGNUYJUDGVPKHT-UHFFFAOYSA-N -1 3 279.278 3.154 20 0 CGADHM COc1cc2c(cc1F)ncnc2-c1ccc([O-])c(F)c1 ZINC001240781566 821321577 /nfs/dbraw/zinc/32/15/77/821321577.db2.gz ATKCBZJPCUKYKG-UHFFFAOYSA-N -1 3 288.253 3.289 20 0 CGADHM Cc1nc(-c2cccnc2)cc(-c2ccc([O-])c(F)c2)n1 ZINC001240786099 821324436 /nfs/dbraw/zinc/32/44/36/821324436.db2.gz LQHABDKGFMQHAF-UHFFFAOYSA-N -1 3 281.290 3.359 20 0 CGADHM COc1cc(C)c2ncnc(-c3ccc([O-])c(F)c3)c2c1 ZINC001240786106 821327240 /nfs/dbraw/zinc/32/72/40/821327240.db2.gz LYONEGYRZIXDIP-UHFFFAOYSA-N -1 3 284.290 3.459 20 0 CGADHM COC(=O)c1noc2cc(-c3ccc([O-])c(F)c3)ccc21 ZINC001240787129 821329916 /nfs/dbraw/zinc/32/99/16/821329916.db2.gz MXYZNRDTJZEINZ-UHFFFAOYSA-N -1 3 287.246 3.126 20 0 CGADHM COc1nc(OC)c(-c2ccc([O-])c(F)c2)cc1SC ZINC001240788175 821331372 /nfs/dbraw/zinc/33/13/72/821331372.db2.gz CVTLWKKIPMDXQZ-UHFFFAOYSA-N -1 3 295.335 3.332 20 0 CGADHM Fc1ccc(-c2cc(-c3nnn[n-]3)ccc2F)c(F)c1F ZINC001240992699 821474221 /nfs/dbraw/zinc/47/42/21/821474221.db2.gz MSBIAXIUPMPDRI-UHFFFAOYSA-N -1 3 294.211 3.090 20 0 CGADHM Fc1ccc(-c2cc(-c3nn[n-]n3)ccc2F)c(F)c1F ZINC001240992699 821474226 /nfs/dbraw/zinc/47/42/26/821474226.db2.gz MSBIAXIUPMPDRI-UHFFFAOYSA-N -1 3 294.211 3.090 20 0 CGADHM CC(C)(C)OC(=O)c1ccc(-c2ccccc2[O-])nc1 ZINC001241002878 821481555 /nfs/dbraw/zinc/48/15/55/821481555.db2.gz BHGQBNBSINIUFW-UHFFFAOYSA-N -1 3 271.316 3.410 20 0 CGADHM C[Si](C)(C)c1ccnc(-c2ccccc2[O-])c1F ZINC001241008590 821485897 /nfs/dbraw/zinc/48/58/97/821485897.db2.gz MEAWYELXZYTPND-UHFFFAOYSA-N -1 3 261.372 3.139 20 0 CGADHM [O-]c1ccccc1-c1nccc2c3c([nH]c21)CCC3 ZINC001241009790 821486566 /nfs/dbraw/zinc/48/65/66/821486566.db2.gz XRXOLWWLSWXIEY-UHFFFAOYSA-N -1 3 250.301 3.424 20 0 CGADHM COc1cc(OC)c2ncnc(-c3ccccc3[O-])c2c1 ZINC001241009392 821487179 /nfs/dbraw/zinc/48/71/79/821487179.db2.gz YGIBCOKRIDYJOV-UHFFFAOYSA-N -1 3 282.299 3.020 20 0 CGADHM COc1c(C)cc(-c2ccc(Cc3nnn[n-]3)cc2)cc1C ZINC001241020184 821495392 /nfs/dbraw/zinc/49/53/92/821495392.db2.gz WSWBBVLEBWTHJZ-UHFFFAOYSA-N -1 3 294.358 3.083 20 0 CGADHM COc1c(C)cc(-c2ccc(Cc3nn[n-]n3)cc2)cc1C ZINC001241020184 821495394 /nfs/dbraw/zinc/49/53/94/821495394.db2.gz WSWBBVLEBWTHJZ-UHFFFAOYSA-N -1 3 294.358 3.083 20 0 CGADHM Fc1cc(-c2nnn[n-]2)cc(-c2cc(F)c(F)cc2F)c1 ZINC001241112645 821567064 /nfs/dbraw/zinc/56/70/64/821567064.db2.gz WQKJWHCLEIICMB-UHFFFAOYSA-N -1 3 294.211 3.090 20 0 CGADHM Fc1cc(-c2nn[n-]n2)cc(-c2cc(F)c(F)cc2F)c1 ZINC001241112645 821567068 /nfs/dbraw/zinc/56/70/68/821567068.db2.gz WQKJWHCLEIICMB-UHFFFAOYSA-N -1 3 294.211 3.090 20 0 CGADHM [O-]c1cc(F)cc(-c2ccnc(-c3cccnc3)n2)c1 ZINC001241256303 821676352 /nfs/dbraw/zinc/67/63/52/821676352.db2.gz PWYFNVVWGRQHSB-UHFFFAOYSA-N -1 3 267.263 3.050 20 0 CGADHM [O-]c1cc(F)cc(-c2ncccc2OC(F)F)c1 ZINC001241256664 821676796 /nfs/dbraw/zinc/67/67/96/821676796.db2.gz ZUFWSIWDVAWRAE-UHFFFAOYSA-N -1 3 255.195 3.195 20 0 CGADHM CC(C)c1cc(-c2cc([O-])cc(F)c2)nc(N(C)C)n1 ZINC001241261908 821681456 /nfs/dbraw/zinc/68/14/56/821681456.db2.gz SYUOLWRCKHRNAU-UHFFFAOYSA-N -1 3 275.327 3.178 20 0 CGADHM CC(=O)Nc1ccc(C)c(-c2cc([O-])cc(F)c2)c1 ZINC001241266937 821686692 /nfs/dbraw/zinc/68/66/92/821686692.db2.gz PFHZHHKWMAEKCX-UHFFFAOYSA-N -1 3 259.280 3.465 20 0 CGADHM [O-]c1cc(F)cc(-c2ccc(C3OCCO3)cc2)c1 ZINC001241271317 821690033 /nfs/dbraw/zinc/69/00/33/821690033.db2.gz BJDNIAVLINPICC-UHFFFAOYSA-N -1 3 260.264 3.244 20 0 CGADHM [O-]c1cc(F)cc(-c2ccc(C3OCCO3)c(F)c2)c1 ZINC001241272653 821691376 /nfs/dbraw/zinc/69/13/76/821691376.db2.gz UYXMBFNBVFFTBY-UHFFFAOYSA-N -1 3 278.254 3.383 20 0 CGADHM CN1Cc2c(cccc2-c2cc([O-])cc(F)c2)NC1=O ZINC001241280904 821699611 /nfs/dbraw/zinc/69/96/11/821699611.db2.gz YGBNIZPKPXITAN-UHFFFAOYSA-N -1 3 272.279 3.176 20 0 CGADHM CC1(C)Cc2cc(-c3cc([O-])cc(F)c3)ccc2C(=O)N1 ZINC001241282208 821701873 /nfs/dbraw/zinc/70/18/73/821701873.db2.gz KCPZVJRIRVZAHZ-UHFFFAOYSA-N -1 3 285.318 3.263 20 0 CGADHM [O-]c1ccc(F)c(-c2cccc3c2OCO3)c1F ZINC001241291811 821709075 /nfs/dbraw/zinc/70/90/75/821709075.db2.gz YAFAZWIRLCAPQS-UHFFFAOYSA-N -1 3 250.200 3.066 20 0 CGADHM [O-]c1ccc(F)c(-c2ccc3nnc(C4CC4)n3c2)c1F ZINC001241294393 821712046 /nfs/dbraw/zinc/71/20/46/821712046.db2.gz UJMWHWQAJPIYFU-UHFFFAOYSA-N -1 3 287.269 3.258 20 0 CGADHM O=c1cc(-c2c(F)ccc([O-])c2F)ccn1C1CCC1 ZINC001241294212 821712525 /nfs/dbraw/zinc/71/25/25/821712525.db2.gz NNZOYJTUHKGBPE-UHFFFAOYSA-N -1 3 277.270 3.224 20 0 CGADHM COc1ccc(-c2c(F)ccc([O-])c2F)c(OC)c1OC ZINC001241295221 821713838 /nfs/dbraw/zinc/71/38/38/821713838.db2.gz JTHAEELIDCGUGW-UHFFFAOYSA-N -1 3 296.269 3.363 20 0 CGADHM Cc1ccc(-c2ccc(-c3nnn[n-]3)c(F)c2)c(F)c1 ZINC001241354793 821755791 /nfs/dbraw/zinc/75/57/91/821755791.db2.gz BMWGWXSZNVDTSH-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM Cc1ccc(-c2ccc(-c3nn[n-]n3)c(F)c2)c(F)c1 ZINC001241354793 821755797 /nfs/dbraw/zinc/75/57/97/821755797.db2.gz BMWGWXSZNVDTSH-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM CC(C)c1cccc(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC001241441640 821836013 /nfs/dbraw/zinc/83/60/13/821836013.db2.gz QKLQFHMBIJNPPN-UHFFFAOYSA-N -1 3 265.320 3.052 20 0 CGADHM CC(C)c1cccc(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC001241441640 821836022 /nfs/dbraw/zinc/83/60/22/821836022.db2.gz QKLQFHMBIJNPPN-UHFFFAOYSA-N -1 3 265.320 3.052 20 0 CGADHM CCN(CC)c1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001241443678 821838127 /nfs/dbraw/zinc/83/81/27/821838127.db2.gz KBOQFTGANSVQQQ-UHFFFAOYSA-N -1 3 293.374 3.380 20 0 CGADHM CCN(CC)c1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001241443678 821838130 /nfs/dbraw/zinc/83/81/30/821838130.db2.gz KBOQFTGANSVQQQ-UHFFFAOYSA-N -1 3 293.374 3.380 20 0 CGADHM CCCOc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001241445612 821840758 /nfs/dbraw/zinc/84/07/58/821840758.db2.gz QSXHJDIENZGRHE-UHFFFAOYSA-N -1 3 280.331 3.323 20 0 CGADHM CCCOc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001241445612 821840771 /nfs/dbraw/zinc/84/07/71/821840771.db2.gz QSXHJDIENZGRHE-UHFFFAOYSA-N -1 3 280.331 3.323 20 0 CGADHM CC(C)Oc1cccc(-c2ccc(-c3nnn[n-]3)cc2)c1F ZINC001241446028 821841618 /nfs/dbraw/zinc/84/16/18/821841618.db2.gz HESMEXTUOKTGHN-UHFFFAOYSA-N -1 3 298.321 3.460 20 0 CGADHM CC(C)Oc1cccc(-c2ccc(-c3nn[n-]n3)cc2)c1F ZINC001241446028 821841623 /nfs/dbraw/zinc/84/16/23/821841623.db2.gz HESMEXTUOKTGHN-UHFFFAOYSA-N -1 3 298.321 3.460 20 0 CGADHM Cc1cc(F)c(-c2ccc(-c3nnn[n-]3)cc2)cc1C ZINC001241446585 821842896 /nfs/dbraw/zinc/84/28/96/821842896.db2.gz IDTUKCUULNIZOL-UHFFFAOYSA-N -1 3 268.295 3.290 20 0 CGADHM Cc1cc(F)c(-c2ccc(-c3nn[n-]n3)cc2)cc1C ZINC001241446585 821842903 /nfs/dbraw/zinc/84/29/03/821842903.db2.gz IDTUKCUULNIZOL-UHFFFAOYSA-N -1 3 268.295 3.290 20 0 CGADHM Fc1ccc(-c2ccc3scnc3c2)cc1-c1nnn[n-]1 ZINC001241870229 822189036 /nfs/dbraw/zinc/18/90/36/822189036.db2.gz VTRIIJIXWMMXHO-UHFFFAOYSA-N -1 3 297.318 3.283 20 0 CGADHM Fc1ccc(-c2ccc3scnc3c2)cc1-c1nn[n-]n1 ZINC001241870229 822189039 /nfs/dbraw/zinc/18/90/39/822189039.db2.gz VTRIIJIXWMMXHO-UHFFFAOYSA-N -1 3 297.318 3.283 20 0 CGADHM COc1ccc(-c2ccc3c(c2)[N-]C(=S)C3)cc1CO ZINC001241932505 822225392 /nfs/dbraw/zinc/22/53/92/822225392.db2.gz SCKJSVLWVWSWJH-UHFFFAOYSA-N -1 3 285.368 3.150 20 0 CGADHM Cc1nc(N)ccc1-c1ccc([O-])c(C(F)(F)F)c1 ZINC001242165600 822900803 /nfs/dbraw/zinc/90/08/03/822900803.db2.gz FIHZUNPRDOGZBD-UHFFFAOYSA-N -1 3 268.238 3.364 20 0 CGADHM CC(C)Cn1ccc(-c2ccc(F)cc2[O-])cc1=O ZINC001242219754 822916322 /nfs/dbraw/zinc/91/63/22/822916322.db2.gz PFZNQHUYJGOWPV-UHFFFAOYSA-N -1 3 261.296 3.016 20 0 CGADHM COc1ccc(-c2cccc(CC(=O)[O-])c2)cc1CN(C)C ZINC001242264657 822930578 /nfs/dbraw/zinc/93/05/78/822930578.db2.gz XYNZFXMSIDAIOO-UHFFFAOYSA-N -1 3 299.370 3.051 20 0 CGADHM [O-]c1c(F)cccc1-c1ccc(C2OCCO2)c(F)c1 ZINC001242351252 822961397 /nfs/dbraw/zinc/96/13/97/822961397.db2.gz UYUOGLXPLISWHN-UHFFFAOYSA-N -1 3 278.254 3.383 20 0 CGADHM COC(=O)c1cc2c(cccc2-c2cccc(F)c2[O-])[nH]1 ZINC001242351147 822961432 /nfs/dbraw/zinc/96/14/32/822961432.db2.gz FFQDSAMAFIONBO-UHFFFAOYSA-N -1 3 285.274 3.466 20 0 CGADHM COC(=O)c1cc(-c2cccc(F)c2[O-])c(C)cc1F ZINC001242351010 822961501 /nfs/dbraw/zinc/96/15/01/822961501.db2.gz MUAZRTYSONKLKN-UHFFFAOYSA-N -1 3 278.254 3.432 20 0 CGADHM O=C1c2c(cccc2-c2cccc(F)c2[O-])CN1C1CC1 ZINC001242353177 822962523 /nfs/dbraw/zinc/96/25/23/822962523.db2.gz VXZOMVVXMCVYMN-UHFFFAOYSA-N -1 3 283.302 3.317 20 0 CGADHM CC(C)n1cc(-c2cc(C(F)(F)F)[n-]c(=S)n2)cn1 ZINC001242436837 822994253 /nfs/dbraw/zinc/99/42/53/822994253.db2.gz XPRWNCGIIRVUFC-UHFFFAOYSA-N -1 3 288.298 3.229 20 0 CGADHM CCCc1ccc(C(=O)CCC(=O)[N-]OC2CCC2)cc1 ZINC001348011162 936907140 /nfs/dbraw/zinc/90/71/40/936907140.db2.gz LZCQPWJDXBLUCK-UHFFFAOYSA-N -1 3 289.375 3.202 20 0 CGADHM Cc1cccc([O-])c1C(=O)N(C)c1cccc2c1CCCN2 ZINC001353669566 937073905 /nfs/dbraw/zinc/07/39/05/937073905.db2.gz KUCYFYWZCJZZGA-UHFFFAOYSA-N -1 3 296.370 3.335 20 0 CGADHM CCCCN(CCCC)C(=O)c1cc2c(cc1[O-])OCO2 ZINC000436533313 927446431 /nfs/dbraw/zinc/44/64/31/927446431.db2.gz YFZSLWMDQMJFQR-UHFFFAOYSA-N -1 3 293.363 3.163 20 0 CGADHM CO[N-]C(=O)CCSc1ccnc2cc(Cl)ccc21 ZINC000081610474 928039936 /nfs/dbraw/zinc/03/99/36/928039936.db2.gz XYGWVFIRXKUURX-UHFFFAOYSA-N -1 3 296.779 3.048 20 0 CGADHM CC(C)CCCCCCNC(=O)c1ccc(O)cc1[O-] ZINC000232597227 928206918 /nfs/dbraw/zinc/20/69/18/928206918.db2.gz ABXWZJISTMQHDB-UHFFFAOYSA-N -1 3 279.380 3.434 20 0 CGADHM CC(=O)c1ccc(C(=O)Nc2cscc2C)cc1[O-] ZINC001545920323 937313994 /nfs/dbraw/zinc/31/39/94/937313994.db2.gz DDZXJLJPNWTOJS-UHFFFAOYSA-N -1 3 275.329 3.217 20 0 CGADHM CCc1cc(C(=O)Nc2cc(F)ccc2[O-])cc(Cl)n1 ZINC001447289942 937367765 /nfs/dbraw/zinc/36/77/65/937367765.db2.gz SSIWXJYUYVJLRI-UHFFFAOYSA-N -1 3 294.713 3.394 20 0 CGADHM Cc1ccc(C(=O)N[C@@H]2C[C@@H](OC(C)C)C2(C)C)c([O-])c1 ZINC001447370232 937368170 /nfs/dbraw/zinc/36/81/70/937368170.db2.gz HATIEVZPWQAWJF-HUUCEWRRSA-N -1 3 291.391 3.023 20 0 CGADHM CSc1ccc([O-])c(C(=O)NCCCCC2CC2)c1 ZINC001454769813 937412220 /nfs/dbraw/zinc/41/22/20/937412220.db2.gz MQMUFOJUWCUKGV-UHFFFAOYSA-N -1 3 279.405 3.424 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2cccc(CC)c2O)c1 ZINC001456594182 937432756 /nfs/dbraw/zinc/43/27/56/937432756.db2.gz VHJYCHOQSGJWDH-UHFFFAOYSA-N -1 3 285.343 3.475 20 0 CGADHM CC[C@@H]1CCCC[C@H]1CNC(=O)c1c([O-])cccc1O ZINC001457861521 937446290 /nfs/dbraw/zinc/44/62/90/937446290.db2.gz SUNQXCLLEQGPNG-NEPJUHHUSA-N -1 3 277.364 3.044 20 0 CGADHM CCc1cccc(C(=O)Nc2ccnc(SC)c2)c1[O-] ZINC001457935763 937447890 /nfs/dbraw/zinc/44/78/90/937447890.db2.gz KZAAOVBYYAUDQR-UHFFFAOYSA-N -1 3 288.372 3.324 20 0 CGADHM CC(=O)c1cc(C(C)C)c([O-])cc1O[C@@H]1CCCOC1 ZINC001228958946 932059643 /nfs/dbraw/zinc/05/96/43/932059643.db2.gz OXTKDLKHNVAJEP-GFCCVEGCSA-N -1 3 278.348 3.276 20 0 CGADHM S=c1nc(OC[C@H]2CCC=CO2)c2ccsc2[n-]1 ZINC001229563504 932172556 /nfs/dbraw/zinc/17/25/56/932172556.db2.gz BKEKOCVBJXRQQB-MRVPVSSYSA-N -1 3 280.374 3.052 20 0 CGADHM CCC[C@H](C)[C@@H](CC)Oc1ccccc1-c1nnn[n-]1 ZINC001229950941 932507463 /nfs/dbraw/zinc/50/74/63/932507463.db2.gz OQZBCVLOUWOTMY-WCQYABFASA-N -1 3 274.368 3.460 20 0 CGADHM CCC[C@H](C)[C@@H](CC)Oc1ccccc1-c1nn[n-]n1 ZINC001229950941 932507467 /nfs/dbraw/zinc/50/74/67/932507467.db2.gz OQZBCVLOUWOTMY-WCQYABFASA-N -1 3 274.368 3.460 20 0 CGADHM C[C@H](Oc1nc(=O)[n-]c2c1SCC2)c1cccc(F)c1 ZINC001230790229 932624671 /nfs/dbraw/zinc/62/46/71/932624671.db2.gz JQJARRKJLQUWRQ-QMMMGPOBSA-N -1 3 292.335 3.110 20 0 CGADHM CCC(CC)Oc1nc(=O)[n-]cc1-c1ccccc1 ZINC001230973301 932652063 /nfs/dbraw/zinc/65/20/63/932652063.db2.gz GBDVBCNRSCVBGH-UHFFFAOYSA-N -1 3 258.321 3.417 20 0 CGADHM COc1cccc([C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001231073922 932673105 /nfs/dbraw/zinc/67/31/05/932673105.db2.gz OFGCAEFVHZQFTE-LLVKDONJSA-N -1 3 296.330 3.015 20 0 CGADHM CCOC(=O)c1c(Cl)[n-]c(=O)cc1O[C@@H](C)C(C)C ZINC001231090407 932676957 /nfs/dbraw/zinc/67/69/57/932676957.db2.gz HNPGGJPKLSJLFW-QMMMGPOBSA-N -1 3 287.743 3.041 20 0 CGADHM Cc1ccc(N(C)Cc2cc(=O)[n-]c(C3CC3)n2)cc1C ZINC001307443561 932952651 /nfs/dbraw/zinc/95/26/51/932952651.db2.gz ZGHOPUQKVRAPTB-UHFFFAOYSA-N -1 3 283.375 3.313 20 0 CGADHM C[C@@H](c1ccccc1)N1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001308051097 933040075 /nfs/dbraw/zinc/04/00/75/933040075.db2.gz IXTPOEVSVFRDSX-NSHDSACASA-N -1 3 281.359 3.136 20 0 CGADHM CCc1ccc2c(c1)CCN([C@@H](C)c1nc(C)cc(=O)[n-]1)C2 ZINC001308171357 933065254 /nfs/dbraw/zinc/06/52/54/933065254.db2.gz ROUBJSRWAMYTBO-ZDUSSCGKSA-N -1 3 297.402 3.172 20 0 CGADHM CN(Cc1ccco1)Cc1cccc([O-])c1Br ZINC001308644542 933149077 /nfs/dbraw/zinc/14/90/77/933149077.db2.gz RAAQYEGVBWIQAY-UHFFFAOYSA-N -1 3 296.164 3.380 20 0 CGADHM CCCN1CCCC[C@H]1C(=O)Nc1cc(Cl)ccc1[O-] ZINC001319530382 933889067 /nfs/dbraw/zinc/88/90/67/933889067.db2.gz WIMPKNASDHFUKB-ZDUSSCGKSA-N -1 3 296.798 3.249 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-]C(C)(C)C2CCCCC2)o1 ZINC001319897074 933954891 /nfs/dbraw/zinc/95/48/91/933954891.db2.gz ZCXLLNXUMXHKMU-UHFFFAOYSA-N -1 3 285.409 3.225 20 0 CGADHM O=C(Nc1c([O-])cccc1Cl)c1c[nH]c2ncccc12 ZINC001468455096 937728189 /nfs/dbraw/zinc/72/81/89/937728189.db2.gz JGUWRMOPJXBREH-UHFFFAOYSA-N -1 3 287.706 3.174 20 0 CGADHM COc1ccc(SCCCC(=O)[N-]OC(C)(C)C)cc1 ZINC001320659011 934081579 /nfs/dbraw/zinc/08/15/79/934081579.db2.gz VSSDGHWDKQPOOV-UHFFFAOYSA-N -1 3 297.420 3.414 20 0 CGADHM CC(C)c1ccc(C(=O)N[C@@H]2CC[C@H]3C[C@H]3C2)c([O-])c1 ZINC001469800722 937743936 /nfs/dbraw/zinc/74/39/36/937743936.db2.gz WOLQXMFLQAYKEJ-MELADBBJSA-N -1 3 273.376 3.434 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CC(c3ccc(F)cc3)C2)c1 ZINC001324755963 934564065 /nfs/dbraw/zinc/56/40/65/934564065.db2.gz SHPJBFRIYJILJV-UHFFFAOYSA-N -1 3 299.345 3.333 20 0 CGADHM Cc1cc(=O)[n-]c(CNc2nc3c(cccc3C)s2)n1 ZINC001472822212 937785572 /nfs/dbraw/zinc/78/55/72/937785572.db2.gz LQAMLXAFBUZLFB-UHFFFAOYSA-N -1 3 286.360 3.021 20 0 CGADHM CCc1ccc(C(=O)N2CC(C)(C)C2(C)C)c([O-])c1 ZINC001326162847 934955887 /nfs/dbraw/zinc/95/58/87/934955887.db2.gz VHQDCNYTSDNLPQ-UHFFFAOYSA-N -1 3 261.365 3.215 20 0 CGADHM Cc1ccc(C(C)C)c(OCCC(=O)[N-]OC2CCC2)c1 ZINC001328167168 935121522 /nfs/dbraw/zinc/12/15/22/935121522.db2.gz QAPFOFTVMPSTRU-UHFFFAOYSA-N -1 3 291.391 3.488 20 0 CGADHM O=C(CCCc1ccc([O-])c(F)c1)OCc1cncs1 ZINC001329438180 935216327 /nfs/dbraw/zinc/21/63/27/935216327.db2.gz ANFNBQDZSXONQM-UHFFFAOYSA-N -1 3 295.335 3.054 20 0 CGADHM Cc1nc(CN2[C@H](C)C[C@H](C)[C@H](C(=O)[O-])[C@@H]2C)c(C)s1 ZINC001334739810 936111309 /nfs/dbraw/zinc/11/13/09/936111309.db2.gz YQYLKMDJLYIRIO-JIXVBMEVSA-N -1 3 296.436 3.080 20 0 CGADHM CC(C)(C)[C@@H]1CCN1C(=O)c1cc([O-])ccc1Cl ZINC001337608500 936273545 /nfs/dbraw/zinc/27/35/45/936273545.db2.gz WQENQHDIBIJNMW-LBPRGKRZSA-N -1 3 267.756 3.306 20 0 CGADHM C[C@@H](NC(=O)CCCc1ccc([O-])c(F)c1)C1(C)CC1 ZINC001514817812 938003060 /nfs/dbraw/zinc/00/30/60/938003060.db2.gz YYEBBTLVMOBGPB-LLVKDONJSA-N -1 3 279.355 3.159 20 0 CGADHM CSc1cc(F)ccc1[N-]C(=O)c1cscn1 ZINC001526500624 938055699 /nfs/dbraw/zinc/05/56/99/938055699.db2.gz STDJBUDZNIGNMS-UHFFFAOYSA-N -1 3 268.338 3.256 20 0 CGADHM O=C([N-]c1c(F)ccnc1F)c1cc(Cl)cs1 ZINC001527567428 938062320 /nfs/dbraw/zinc/06/23/20/938062320.db2.gz YMUPVMUYYZXPEJ-UHFFFAOYSA-N -1 3 274.679 3.327 20 0 CGADHM O=C([N-]c1ncc(F)cc1Cl)c1scnc1Cl ZINC001533699322 938091588 /nfs/dbraw/zinc/09/15/88/938091588.db2.gz TZQFCFAAAFODFD-UHFFFAOYSA-N -1 3 292.122 3.236 20 0 CGADHM CCc1ccc(C(=O)Nc2cccc(F)c2)c([O-])c1 ZINC001540437197 938131396 /nfs/dbraw/zinc/13/13/96/938131396.db2.gz HJZUNWIRUHTCHW-UHFFFAOYSA-N -1 3 259.280 3.346 20 0 CGADHM Cc1cccc([O-])c1C(=O)NCCCCOc1ccccc1 ZINC001540561688 938131974 /nfs/dbraw/zinc/13/19/74/938131974.db2.gz MEEUIIMXBJTSIO-UHFFFAOYSA-N -1 3 299.370 3.290 20 0 CGADHM Nc1ccc(C(=O)N[C@H]2CCC[C@@H]2c2ccccc2)c([O-])c1 ZINC001550090944 938162658 /nfs/dbraw/zinc/16/26/58/938162658.db2.gz SIKXTTJKJXPWPX-ZBFHGGJFSA-N -1 3 296.370 3.041 20 0 CGADHM CC1(C)[C@H](NCc2cccc(C(=O)[O-])n2)[C@H]1c1ccccc1 ZINC001550345324 938165904 /nfs/dbraw/zinc/16/59/04/938165904.db2.gz HHRGZVSSQRFHMD-HZPDHXFCSA-N -1 3 296.370 3.062 20 0 CGADHM CC1(C)[C@@H](NCc2cccc(C(=O)[O-])n2)[C@H]1c1ccccc1 ZINC001550345322 938166017 /nfs/dbraw/zinc/16/60/17/938166017.db2.gz HHRGZVSSQRFHMD-CVEARBPZSA-N -1 3 296.370 3.062 20 0 CGADHM Cc1cnc2ccccc2c1N1C[C@H](C2CC2)[C@H](C(=O)[O-])C1 ZINC001551355922 938180480 /nfs/dbraw/zinc/18/04/80/938180480.db2.gz RGPQJJNKXWGRCJ-HUUCEWRRSA-N -1 3 296.370 3.090 20 0 CGADHM Cc1ccc(C(=O)NC2[C@H](C)CCC[C@H]2C)c([O-])c1 ZINC001556547225 938204293 /nfs/dbraw/zinc/20/42/93/938204293.db2.gz ZHIBYGMWDFQVFG-VXGBXAGGSA-N -1 3 261.365 3.255 20 0 CGADHM CCc1ccc(C(=O)N[C@H]2C[C@@]2(C)C(C)C)c([O-])c1 ZINC001556942919 938206610 /nfs/dbraw/zinc/20/66/10/938206610.db2.gz LAXNGTPRNKWDGG-HOCLYGCPSA-N -1 3 261.365 3.119 20 0 CGADHM CCCCC1(NC(=O)c2ccc(CC)cc2[O-])CC1 ZINC001558739170 938217404 /nfs/dbraw/zinc/21/74/04/938217404.db2.gz CGMDPGALJRAWIS-UHFFFAOYSA-N -1 3 261.365 3.407 20 0 CGADHM O=C([O-])c1ccc(CN[C@@H]2CCCc3ccc(O)cc32)cc1 ZINC001611540115 971100414 /nfs/dbraw/zinc/10/04/14/971100414.db2.gz NQQZXMRHWUXKTJ-QGZVFWFLSA-N -1 3 297.354 3.258 20 0 CGADHM C[C@@]1(C(=O)[O-])CCCN1Cc1cccc(Cl)c1Cl ZINC000086816315 949069681 /nfs/dbraw/zinc/06/96/81/949069681.db2.gz MCTZQOVIPBICEX-ZDUSSCGKSA-N -1 3 288.174 3.433 20 0 CGADHM CNc1ccc(C)cc1CNCc1cccc(C(=O)[O-])c1 ZINC001593803761 954871287 /nfs/dbraw/zinc/87/12/87/954871287.db2.gz UZYQWPIOHUQWEV-UHFFFAOYSA-N -1 3 284.359 3.025 20 0 CGADHM CC(C)c1nc([C@@H](C)NCCCCC(=O)[O-])cs1 ZINC001603107073 972183281 /nfs/dbraw/zinc/18/32/81/972183281.db2.gz KQLOJGYAIWYDCR-SNVBAGLBSA-N -1 3 270.398 3.172 20 0 CGADHM C[C@@H](CCCNCc1csc(C(C)(C)C)n1)C(=O)[O-] ZINC001321907431 958795525 /nfs/dbraw/zinc/79/55/25/958795525.db2.gz REBCTIGKKSWPLB-JTQLQIEISA-N -1 3 284.425 3.031 20 0 CGADHM Cc1ccsc1CNCc1ccc(C(=O)[O-])c(F)c1 ZINC000235808513 960500972 /nfs/dbraw/zinc/50/09/72/960500972.db2.gz REULRVUOFDJPFH-UHFFFAOYSA-N -1 3 279.336 3.184 20 0 CGADHM CC[C@H](C)[C@H](C(=O)[O-])N1Cc2ccc(Cl)cc2C1 ZINC001594874294 960520688 /nfs/dbraw/zinc/52/06/88/960520688.db2.gz VGVINGVILRLSMS-TVQRCGJNSA-N -1 3 267.756 3.155 20 0 CGADHM CC(C)CN1CCC[C@@H]1C(=O)Nc1cccc(Cl)c1[O-] ZINC001567072717 961111428 /nfs/dbraw/zinc/11/14/28/961111428.db2.gz ISNUSYAXRLLGQV-CYBMUJFWSA-N -1 3 296.798 3.105 20 0 CGADHM O=C(Nc1ccc(Cl)cc1[O-])c1cnc2cc[nH]c2c1 ZINC001567234867 961149642 /nfs/dbraw/zinc/14/96/42/961149642.db2.gz PKNHJYRQZXPIPS-UHFFFAOYSA-N -1 3 287.706 3.174 20 0 CGADHM O=C(Nc1c([O-])cccc1Cl)c1ccc2[nH]ccc2n1 ZINC001569682951 961820160 /nfs/dbraw/zinc/82/01/60/961820160.db2.gz ZKOUYIVHQPTITH-UHFFFAOYSA-N -1 3 287.706 3.174 20 0 CGADHM CCCCCCC(=O)Nc1cc(C)cc(-c2nnn[n-]2)c1 ZINC001577506129 962558467 /nfs/dbraw/zinc/55/84/67/962558467.db2.gz SICKHBQHYQNDLT-UHFFFAOYSA-N -1 3 287.367 3.084 20 0 CGADHM CCCCCCC(=O)Nc1cc(C)cc(-c2nn[n-]n2)c1 ZINC001577506129 962558484 /nfs/dbraw/zinc/55/84/84/962558484.db2.gz SICKHBQHYQNDLT-UHFFFAOYSA-N -1 3 287.367 3.084 20 0 CGADHM CCc1ccc(Nc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC001578526550 962595133 /nfs/dbraw/zinc/59/51/33/962595133.db2.gz WPGOLOCTYXNBSI-UHFFFAOYSA-N -1 3 283.310 3.312 20 0 CGADHM CCc1ccc(Nc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC001578526550 962595143 /nfs/dbraw/zinc/59/51/43/962595143.db2.gz WPGOLOCTYXNBSI-UHFFFAOYSA-N -1 3 283.310 3.312 20 0 CGADHM Cc1cccc(CSc2cc(-c3nnn[n-]3)cc(C)n2)c1 ZINC001581240139 962752907 /nfs/dbraw/zinc/75/29/07/962752907.db2.gz CSXDMIHLEDYHRB-UHFFFAOYSA-N -1 3 297.387 3.171 20 0 CGADHM Cc1cccc(CSc2cc(-c3nn[n-]n3)cc(C)n2)c1 ZINC001581240139 962752921 /nfs/dbraw/zinc/75/29/21/962752921.db2.gz CSXDMIHLEDYHRB-UHFFFAOYSA-N -1 3 297.387 3.171 20 0 CGADHM Cc1ccc(SCc2cccc(C)n2)c(-c2nnn[n-]2)c1 ZINC001581213733 962754544 /nfs/dbraw/zinc/75/45/44/962754544.db2.gz IJGHTQQVXHGJHI-UHFFFAOYSA-N -1 3 297.387 3.171 20 0 CGADHM Cc1ccc(SCc2cccc(C)n2)c(-c2nn[n-]n2)c1 ZINC001581213733 962754554 /nfs/dbraw/zinc/75/45/54/962754554.db2.gz IJGHTQQVXHGJHI-UHFFFAOYSA-N -1 3 297.387 3.171 20 0 CGADHM Cc1cc([N-]C(=O)c2ocnc2C(F)(F)F)cs1 ZINC001586116700 963068371 /nfs/dbraw/zinc/06/83/71/963068371.db2.gz FKGVOMVVTLTPIF-UHFFFAOYSA-N -1 3 276.239 3.316 20 0 CGADHM Cc1cncc(NC(=O)c2cc3c(cc2[O-])CCCC3)c1 ZINC001587367354 963191066 /nfs/dbraw/zinc/19/10/66/963191066.db2.gz OGYNNHVXDNVXTL-UHFFFAOYSA-N -1 3 282.343 3.227 20 0 CGADHM O=C([N-]c1cccc2nsnc21)c1scnc1Cl ZINC001587465221 963198623 /nfs/dbraw/zinc/19/86/23/963198623.db2.gz JIEIXDRWVILVSS-UHFFFAOYSA-N -1 3 296.764 3.054 20 0 CGADHM C[C@](NCc1cc(Cl)cs1)(C(=O)[O-])c1ccccc1 ZINC001589129646 963351469 /nfs/dbraw/zinc/35/14/69/963351469.db2.gz WELDLHTXOTVXSO-CQSZACIVSA-N -1 3 295.791 3.491 20 0 CGADHM C[C@@H](NCC1(C)CCCCC1)c1ncc(C(=O)[O-])s1 ZINC000314799305 963811508 /nfs/dbraw/zinc/81/15/08/963811508.db2.gz MWDVLRPFLNMFOB-SNVBAGLBSA-N -1 3 282.409 3.462 20 0 CGADHM CC(C)=CCOc1c(-c2nnn[n-]2)cnc2ccc(C)cc21 ZINC001589379250 963985826 /nfs/dbraw/zinc/98/58/26/963985826.db2.gz FWFZAXMYTZFBDR-UHFFFAOYSA-N -1 3 295.346 3.068 20 0 CGADHM CC(C)=CCOc1c(-c2nn[n-]n2)cnc2ccc(C)cc21 ZINC001589379250 963985830 /nfs/dbraw/zinc/98/58/30/963985830.db2.gz FWFZAXMYTZFBDR-UHFFFAOYSA-N -1 3 295.346 3.068 20 0 CGADHM CC(C)=CCOc1c(C)cc(Cl)cc1-c1nnn[n-]1 ZINC001589379712 963986046 /nfs/dbraw/zinc/98/60/46/963986046.db2.gz YCBUOVPICBKTLX-UHFFFAOYSA-N -1 3 278.743 3.174 20 0 CGADHM CC(C)=CCOc1c(C)cc(Cl)cc1-c1nn[n-]n1 ZINC001589379712 963986050 /nfs/dbraw/zinc/98/60/50/963986050.db2.gz YCBUOVPICBKTLX-UHFFFAOYSA-N -1 3 278.743 3.174 20 0 CGADHM CC(C)CCNc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC001589603787 964008559 /nfs/dbraw/zinc/00/85/59/964008559.db2.gz HPWCTKGCVZCBEJ-UHFFFAOYSA-N -1 3 289.383 3.112 20 0 CGADHM CC(C)CCNc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC001589603787 964008569 /nfs/dbraw/zinc/00/85/69/964008569.db2.gz HPWCTKGCVZCBEJ-UHFFFAOYSA-N -1 3 289.383 3.112 20 0 CGADHM C[C@H](COc1ccccc1)N[C@@H](C)c1cc(C(=O)[O-])co1 ZINC001592783187 979421756 /nfs/dbraw/zinc/42/17/56/979421756.db2.gz QVMIIQDRYDBBSV-NEPJUHHUSA-N -1 3 289.331 3.096 20 0 CGADHM CC[C@H](NCc1cnccc1C)c1ccc(C(=O)[O-])cc1 ZINC001595305887 980452854 /nfs/dbraw/zinc/45/28/54/980452854.db2.gz YENMUONSDYGHRI-INIZCTEOSA-N -1 3 284.359 3.329 20 0 CGADHM CC[C@@H]1CCCC[C@@H]1CNCc1ncc(C(=O)[O-])s1 ZINC001595443837 981083791 /nfs/dbraw/zinc/08/37/91/981083791.db2.gz CJDQRYFJNBSBGF-GHMZBOCLSA-N -1 3 282.409 3.147 20 0 CGADHM CCC[C@H](NCc1cncc(C(=O)[O-])c1)c1ccccc1 ZINC001595601081 981586323 /nfs/dbraw/zinc/58/63/23/981586323.db2.gz TYEGQAXWXLXLIU-INIZCTEOSA-N -1 3 284.359 3.411 20 0 CGADHM CCC[C@@H]1[C@H](C)CCCN1Cc1ncc(C(=O)[O-])s1 ZINC001595619685 981680801 /nfs/dbraw/zinc/68/08/01/981680801.db2.gz LURYWLTUZGJBFZ-GHMZBOCLSA-N -1 3 282.409 3.242 20 0 CGADHM CC[C@@](C)(C(=O)[O-])N(Cc1cc(C)co1)CC1CC1 ZINC001594787873 981829426 /nfs/dbraw/zinc/82/94/26/981829426.db2.gz OXYBEOMKMGNGCN-HNNXBMFYSA-N -1 3 265.353 3.053 20 0 CGADHM CCCC[C@@H](N[C@@H](CF)c1ccc(F)cc1)C(=O)[O-] ZINC001595637514 981932244 /nfs/dbraw/zinc/93/22/44/981932244.db2.gz JXSRLHDBHUFRNG-OLZOCXBDSA-N -1 3 271.307 3.069 20 0 CGADHM CCc1[nH]c(CN2CCC(C3CCC3)CC2)cc1C(=O)[O-] ZINC001597384949 987591893 /nfs/dbraw/zinc/59/18/93/987591893.db2.gz OZSOYNAHKMVWBB-UHFFFAOYSA-N -1 3 290.407 3.287 20 0 CGADHM COc1ccccc1[C@@H](C)N[C@H](C(=O)[O-])c1ccccc1C ZINC001599718726 991500585 /nfs/dbraw/zinc/50/05/85/991500585.db2.gz VAXXNRXSGKMFDK-DYVFJYSZSA-N -1 3 299.370 3.480 20 0 CGADHM C[C@@H](NCC1(CC(=O)[O-])CC1)c1nc(C(C)(C)C)cs1 ZINC001593250782 994488246 /nfs/dbraw/zinc/48/82/46/994488246.db2.gz WXCAOETZQCTXCX-SNVBAGLBSA-N -1 3 296.436 3.346 20 0 CGADHM C[C@@H](NC[C@H]1CCCC2(CCC2)O1)c1cc(C(=O)[O-])co1 ZINC001593252804 994508716 /nfs/dbraw/zinc/50/87/16/994508716.db2.gz VJGUFXXTBDLODC-DGCLKSJQSA-N -1 3 293.363 3.120 20 0 CGADHM C[C@@H](NCc1ccc(C(=O)[O-])n1C)c1cccc(C2CC2)c1 ZINC001593297178 994700508 /nfs/dbraw/zinc/70/05/08/994700508.db2.gz SRJNIZFDMBCODV-GFCCVEGCSA-N -1 3 298.386 3.452 20 0 CGADHM C[C@@H](N[C@@H](C)c1ccccc1)c1cncc(C(=O)[O-])c1 ZINC001593353176 994974416 /nfs/dbraw/zinc/97/44/16/994974416.db2.gz PEQMHUXHOLKDIN-NWDGAFQWSA-N -1 3 270.332 3.192 20 0 CGADHM C[C@H](c1ncc(C(=O)[O-])s1)N(C)C[C@H]1CC=CCC1 ZINC001593732116 996308344 /nfs/dbraw/zinc/30/83/44/996308344.db2.gz OGUMDVGWYNZDID-MNOVXSKESA-N -1 3 280.393 3.190 20 0 CGADHM C[C@H](c1ncc(C(C)(C)C)o1)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC001593737938 996341684 /nfs/dbraw/zinc/34/16/84/996341684.db2.gz UQAZIGIOMYPBBN-USBNGQNGSA-N -1 3 294.395 3.076 20 0 CGADHM CC1(C)CC[C@@H](CN[C@@H](C(=O)[O-])c2ccccc2Cl)O1 ZINC001593878122 996702869 /nfs/dbraw/zinc/70/28/69/996702869.db2.gz LWQUMETWOUAEMK-GXFFZTMASA-N -1 3 297.782 3.013 20 0 CGADHM CC1(C)CN(C[C@@H]2[C@@H](C(=O)[O-])C2(F)F)[C@H]1c1ccccc1 ZINC001593939574 996933037 /nfs/dbraw/zinc/93/30/37/996933037.db2.gz PMAAVFLRMDEEKI-AGIUHOORSA-N -1 3 295.329 3.035 20 0 CGADHM COc1ccc(CN(C)Cc2ccc(C(=O)[O-])c(C)c2)cc1 ZINC001599557986 998129445 /nfs/dbraw/zinc/12/94/45/998129445.db2.gz MKZCQBPPVXVXBN-UHFFFAOYSA-N -1 3 299.370 3.334 20 0 CGADHM C[C@@H]1C[C@H](C)N1[C@H](C(=O)[O-])c1ccccc1C(F)(F)F ZINC001594231386 998879979 /nfs/dbraw/zinc/87/99/79/998879979.db2.gz SXZZOQUWFBQZBY-SBMIAAHKSA-N -1 3 287.281 3.314 20 0 CGADHM Cc1cc(C(=O)N2CCOc3ccccc3[C@@H]2C)ccc1[O-] ZINC000621145688 349463738 /nfs/dbraw/zinc/46/37/38/349463738.db2.gz HCHFOWSJWPPJEV-ZDUSSCGKSA-N -1 3 297.354 3.296 20 0 CGADHM CC(C)c1ccc(C(=O)N2CC3CC2(C)C3)c([O-])c1 ZINC000621215826 349474270 /nfs/dbraw/zinc/47/42/70/349474270.db2.gz VBTWTCUXHDKMPH-UHFFFAOYSA-N -1 3 259.349 3.140 20 0 CGADHM CC1CC(CNCc2cccc([O-])c2Br)C1 ZINC000621384571 349515737 /nfs/dbraw/zinc/51/57/37/349515737.db2.gz LJPUGIJUWKEAHM-UHFFFAOYSA-N -1 3 284.197 3.290 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N[C@H](C(F)F)C2CCCCC2)n1 ZINC000621402117 349520710 /nfs/dbraw/zinc/52/07/10/349520710.db2.gz TYZQKIAFBGXREH-GWCFXTLKSA-N -1 3 299.365 3.355 20 0 CGADHM CC[C@H]1C[C@@H](CC(=O)Nc2c(C)cccc2[O-])CCO1 ZINC000273050021 192030752 /nfs/dbraw/zinc/03/07/52/192030752.db2.gz FHFCAZSETKZFNQ-STQMWFEESA-N -1 3 277.364 3.234 20 0 CGADHM Cc1cccc([C@H]2CCN(C(=O)c3ccccc3[O-])C2)c1 ZINC000273054679 192031252 /nfs/dbraw/zinc/03/12/52/192031252.db2.gz GTHJFHAWGIRREZ-HNNXBMFYSA-N -1 3 281.355 3.330 20 0 CGADHM O=C(Nc1ccc2ccoc2c1)c1cc(F)cc2[n-]nnc21 ZINC000337595636 214173220 /nfs/dbraw/zinc/17/32/20/214173220.db2.gz KJRAZEJEBONVJU-UHFFFAOYSA-N -1 3 296.261 3.096 20 0 CGADHM O=C(Nc1ccc2ccoc2c1)c1cc(F)cc2nn[n-]c21 ZINC000337595636 214173221 /nfs/dbraw/zinc/17/32/21/214173221.db2.gz KJRAZEJEBONVJU-UHFFFAOYSA-N -1 3 296.261 3.096 20 0 CGADHM O=C(Nc1ccc2ccoc2c1)c1cc(F)cc2n[n-]nc21 ZINC000337595636 214173223 /nfs/dbraw/zinc/17/32/23/214173223.db2.gz KJRAZEJEBONVJU-UHFFFAOYSA-N -1 3 296.261 3.096 20 0 CGADHM Cc1ccc(NC(=O)C[C@@H]2CCO[C@H](C(C)C)C2)c([O-])c1 ZINC000273073122 192037193 /nfs/dbraw/zinc/03/71/93/192037193.db2.gz FZPAKNQAVUPMOQ-CJNGLKHVSA-N -1 3 291.391 3.480 20 0 CGADHM CC[C@H](SC)c1nc(-c2ccc([O-])c(OC)c2)no1 ZINC000269448276 190495061 /nfs/dbraw/zinc/49/50/61/190495061.db2.gz BNOLJGLONWWRBT-NSHDSACASA-N -1 3 280.349 3.265 20 0 CGADHM C[C@H]1CCCN1C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621893765 349603443 /nfs/dbraw/zinc/60/34/43/349603443.db2.gz UMYCEFCOUWVANM-QMMMGPOBSA-N -1 3 273.254 3.036 20 0 CGADHM CCCCn1c(=O)[n-]nc1SCc1cncc(Cl)c1 ZINC000621992798 349618432 /nfs/dbraw/zinc/61/84/32/349618432.db2.gz JTESBNDKSHZBNB-UHFFFAOYSA-N -1 3 298.799 3.125 20 0 CGADHM CC(C)[C@@H]1C[C@H]1NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622100967 349629609 /nfs/dbraw/zinc/62/96/09/349629609.db2.gz RWRNZLBYLLPJNY-NWDGAFQWSA-N -1 3 287.281 3.185 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@@H]1C[C@H]1c1ccccc1C ZINC000622122626 349632410 /nfs/dbraw/zinc/63/24/10/349632410.db2.gz QLCDCVSIZHPSIZ-LSDHHAIUSA-N -1 3 297.402 3.314 20 0 CGADHM Cc1sc(NC(=O)c2c([O-])cccc2O)nc1C(C)C ZINC000622136144 349634224 /nfs/dbraw/zinc/63/42/24/349634224.db2.gz VRDOZABWVZOGQC-UHFFFAOYSA-N -1 3 292.360 3.238 20 0 CGADHM CC[C@@H](C)[C@H](NC(=O)c1ccccc1[O-])C(F)(F)F ZINC000436998950 529420216 /nfs/dbraw/zinc/42/02/16/529420216.db2.gz CLZQNUQIZDPQMV-KCJUWKMLSA-N -1 3 275.270 3.099 20 0 CGADHM CC[C@@H](C)[C@H]1CCCCN1C(=O)c1ccc(OC)cc1[O-] ZINC000436534905 529425787 /nfs/dbraw/zinc/42/57/87/529425787.db2.gz JAVIWVFLOJYXDG-IUODEOHRSA-N -1 3 291.391 3.442 20 0 CGADHM CCc1cccc(C(=O)NCc2cccc(F)c2)c1[O-] ZINC000622297663 349669601 /nfs/dbraw/zinc/66/96/01/349669601.db2.gz HMZXLJLUOQNLFK-UHFFFAOYSA-N -1 3 273.307 3.024 20 0 CGADHM CCN(C(=O)Cc1ccc([O-])c(F)c1)c1ccccc1 ZINC000622301866 349670505 /nfs/dbraw/zinc/67/05/05/349670505.db2.gz QDVFUGMWYWTFBH-UHFFFAOYSA-N -1 3 273.307 3.127 20 0 CGADHM CCCc1cc(C(=O)[N-]c2cc(F)c(F)cc2F)no1 ZINC000622355625 349674977 /nfs/dbraw/zinc/67/49/77/349674977.db2.gz MHDUFBZYCLRDBN-UHFFFAOYSA-N -1 3 284.237 3.297 20 0 CGADHM C[C@H](OCc1ccc(F)cc1)C(=O)Nc1ccccc1[O-] ZINC000622322506 349672042 /nfs/dbraw/zinc/67/20/42/349672042.db2.gz SFOWXBVHWBKGBM-NSHDSACASA-N -1 3 289.306 3.075 20 0 CGADHM CN(C(=O)Cc1ccc([O-])c(F)c1)c1ccc(F)c(F)c1 ZINC000622325944 349672303 /nfs/dbraw/zinc/67/23/03/349672303.db2.gz VXHRHQHVJDKTPP-UHFFFAOYSA-N -1 3 295.260 3.015 20 0 CGADHM CCc1ccc([O-])c(C(=O)NC2CCC3(CC3)CC2)c1 ZINC000622557663 349686070 /nfs/dbraw/zinc/68/60/70/349686070.db2.gz QLHWKRUFFTXBFV-UHFFFAOYSA-N -1 3 273.376 3.407 20 0 CGADHM CCc1ccc(C(=O)NCC2(C3CC3)CCC2)c([O-])c1 ZINC000622458348 349681197 /nfs/dbraw/zinc/68/11/97/349681197.db2.gz KBSWTDAVVQIWGV-UHFFFAOYSA-N -1 3 273.376 3.265 20 0 CGADHM Cc1ccc(C(=O)N[C@@H]2CCC(C)(C)C2)c([O-])c1C ZINC000622478274 349682273 /nfs/dbraw/zinc/68/22/73/349682273.db2.gz ZFVYYHMTINTQHC-GFCCVEGCSA-N -1 3 261.365 3.318 20 0 CGADHM O=C(Nc1ccc([O-])cc1F)c1ccc(C(F)F)nc1 ZINC000622494724 349683295 /nfs/dbraw/zinc/68/32/95/349683295.db2.gz GRUZWDIVGLJHQZ-UHFFFAOYSA-N -1 3 282.221 3.116 20 0 CGADHM Cc1ccc(C(=O)N[C@@H](C2CC2)C2CCC2)c([O-])c1C ZINC000622681606 349693927 /nfs/dbraw/zinc/69/39/27/349693927.db2.gz RJZQLHITGOASAS-OAHLLOKOSA-N -1 3 273.376 3.318 20 0 CGADHM CCc1cccc(C(=O)N(C)c2ccc(OC)cc2)c1[O-] ZINC000622740281 349698535 /nfs/dbraw/zinc/69/85/35/349698535.db2.gz ZNVJBGLIQGKTGJ-UHFFFAOYSA-N -1 3 285.343 3.240 20 0 CGADHM CN(C(=O)c1cc([O-])cc(C(F)(F)F)c1)C(C)(C)C ZINC000622738454 349697548 /nfs/dbraw/zinc/69/75/48/349697548.db2.gz SCIZPKHINHBLHM-UHFFFAOYSA-N -1 3 275.270 3.282 20 0 CGADHM CCc1ccc(C(=O)N2CCC(C(C)C)CC2)c([O-])c1 ZINC000436834459 529595037 /nfs/dbraw/zinc/59/50/37/529595037.db2.gz PFEAFUGVPQBCPA-UHFFFAOYSA-N -1 3 275.392 3.463 20 0 CGADHM Cc1ncccc1CSCc1cc(=O)[n-]c(C2CC2)n1 ZINC000591393391 346920037 /nfs/dbraw/zinc/92/00/37/346920037.db2.gz GNRSJTWVAKWNBF-UHFFFAOYSA-N -1 3 287.388 3.196 20 0 CGADHM CC[C@H](C)CN(C)C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436582541 529650519 /nfs/dbraw/zinc/65/05/19/529650519.db2.gz LUPCQZHCNSFENC-NSHDSACASA-N -1 3 291.391 3.224 20 0 CGADHM CC[C@H](N[C@H](C)c1nc(C)cc(=O)[n-]1)c1cccs1 ZINC000192777248 529667950 /nfs/dbraw/zinc/66/79/50/529667950.db2.gz GAEKXOMRJQLQDS-MNOVXSKESA-N -1 3 277.393 3.354 20 0 CGADHM CCc1ccc([O-])c(-c2nc(-c3cccnc3)no2)c1 ZINC000436892380 529690245 /nfs/dbraw/zinc/69/02/45/529690245.db2.gz LDIMQICDRFXFPZ-UHFFFAOYSA-N -1 3 267.288 3.067 20 0 CGADHM C[C@@H]1CC[C@H](CCC(=O)N2CCCc3cccc([O-])c32)O1 ZINC000155576317 136395803 /nfs/dbraw/zinc/39/58/03/136395803.db2.gz WGRQFDBLYOJXOY-TZMCWYRMSA-N -1 3 289.375 3.019 20 0 CGADHM C[C@@H](CC(=O)N1CCCc2cccc([O-])c21)c1cccnc1 ZINC000336586093 136420105 /nfs/dbraw/zinc/42/01/05/136420105.db2.gz JJRDSISNDSNVND-ZDUSSCGKSA-N -1 3 296.370 3.260 20 0 CGADHM C/C=C/c1ccc(NC(=O)[N-]c2cnns2)cc1 ZINC000351536376 219118974 /nfs/dbraw/zinc/11/89/74/219118974.db2.gz OKRAWEBWDZUFHR-NSCUHMNNSA-N -1 3 260.322 3.215 20 0 CGADHM CN(CCc1ccc(Cl)cc1)C(=O)c1ccccc1[O-] ZINC000172007820 529932784 /nfs/dbraw/zinc/93/27/84/529932784.db2.gz MCYWLTNHPGNXMM-UHFFFAOYSA-N -1 3 289.762 3.360 20 0 CGADHM Cc1ccc(C(=O)N2CCCc3sccc3C2)c([O-])c1 ZINC000593422752 347075373 /nfs/dbraw/zinc/07/53/73/347075373.db2.gz QWXONIGOWGNEHL-UHFFFAOYSA-N -1 3 287.384 3.351 20 0 CGADHM Cc1ccc(NC(=O)Cc2ccc3c(c2)CCC3)c([O-])c1 ZINC000007540478 344868903 /nfs/dbraw/zinc/86/89/03/344868903.db2.gz QDQVSAFABRWVAP-UHFFFAOYSA-N -1 3 281.355 3.371 20 0 CGADHM Cc1ccc(OCCCC(=O)Nc2ccccc2[O-])cc1 ZINC000016483019 344886879 /nfs/dbraw/zinc/88/68/79/344886879.db2.gz GRWHLRWZQCSLNQ-UHFFFAOYSA-N -1 3 285.343 3.498 20 0 CGADHM Cc1ccccc1SCC(=O)Nc1ccccc1[O-] ZINC000016482973 344886948 /nfs/dbraw/zinc/88/69/48/344886948.db2.gz SKQSWOUQJBBNLP-UHFFFAOYSA-N -1 3 273.357 3.431 20 0 CGADHM CCCCc1nnc(NC(=O)c2cc(C)ccc2[O-])s1 ZINC000023360043 344897795 /nfs/dbraw/zinc/89/77/95/344897795.db2.gz UOPHINNLCWBYSK-UHFFFAOYSA-N -1 3 291.376 3.147 20 0 CGADHM Cc1ccc(CCCNC(=O)c2ccccc2[O-])c(C)c1 ZINC000024076115 344899199 /nfs/dbraw/zinc/89/91/99/344899199.db2.gz RCAGPBCIYLYPCL-UHFFFAOYSA-N -1 3 283.371 3.372 20 0 CGADHM CCc1ccc(NC(=O)c2cc(-c3ccco3)[n-]n2)cc1 ZINC000028273823 344913598 /nfs/dbraw/zinc/91/35/98/344913598.db2.gz KLMAKTBFOGEBFG-UHFFFAOYSA-N -1 3 281.315 3.484 20 0 CGADHM CCc1ccc(NC(=O)c2cc(-c3ccco3)n[n-]2)cc1 ZINC000028273823 344913600 /nfs/dbraw/zinc/91/36/00/344913600.db2.gz KLMAKTBFOGEBFG-UHFFFAOYSA-N -1 3 281.315 3.484 20 0 CGADHM CN(C(=O)c1cc(=O)c2ccccc2[n-]1)C(C1CC1)C1CC1 ZINC000050682333 345083918 /nfs/dbraw/zinc/08/39/18/345083918.db2.gz WQEVIMVVTPPEJS-UHFFFAOYSA-N -1 3 296.370 3.201 20 0 CGADHM COCc1cccc(CNC(=O)c2ccc(C)c(C)c2[O-])c1 ZINC000053414901 345120100 /nfs/dbraw/zinc/12/01/00/345120100.db2.gz IJVZWCSDHBHVTH-UHFFFAOYSA-N -1 3 299.370 3.085 20 0 CGADHM CCCN(CCC)Cc1ccc(C(=O)[O-])cc1F ZINC000062750445 345240020 /nfs/dbraw/zinc/24/00/20/345240020.db2.gz BOOQFVAOYCNVCB-UHFFFAOYSA-N -1 3 253.317 3.146 20 0 CGADHM Cc1cc(N2CCC[C@@](C)(C(=O)[O-])C2)c2ccccc2n1 ZINC000062874614 345240887 /nfs/dbraw/zinc/24/08/87/345240887.db2.gz JRAMKEODLWMIDO-QGZVFWFLSA-N -1 3 284.359 3.234 20 0 CGADHM Cc1ccc([O-])c(C(=O)NCCO[C@@H]2CCCC[C@@H]2C)c1 ZINC000060692729 345222111 /nfs/dbraw/zinc/22/21/11/345222111.db2.gz YFVXJNHHTQMQIU-XJKSGUPXSA-N -1 3 291.391 3.026 20 0 CGADHM C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1[O-] ZINC000074350416 345466831 /nfs/dbraw/zinc/46/68/31/345466831.db2.gz BJVABNIRPRMDAA-SNVBAGLBSA-N -1 3 291.734 3.452 20 0 CGADHM Cc1nc(CC(C)C)sc1C(=O)Nc1ncccc1[O-] ZINC000076691356 345547951 /nfs/dbraw/zinc/54/79/51/345547951.db2.gz NMRCOMXBYPAVCO-UHFFFAOYSA-N -1 3 291.376 3.003 20 0 CGADHM Cc1cc(F)ccc1CN1CCC(CCC(=O)[O-])CC1 ZINC000086756060 345750632 /nfs/dbraw/zinc/75/06/32/345750632.db2.gz IGNLMBZYTMWTRZ-UHFFFAOYSA-N -1 3 279.355 3.211 20 0 CGADHM CC(C)(C)CCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000096744105 345906208 /nfs/dbraw/zinc/90/62/08/345906208.db2.gz LGCXXXKWFQHMMZ-UHFFFAOYSA-N -1 3 291.363 3.069 20 0 CGADHM C[C@H](Cc1ccccc1)C(=O)Nc1cc(F)ccc1[O-] ZINC000174892975 232307314 /nfs/dbraw/zinc/30/73/14/232307314.db2.gz IENXWIRLKXOROR-LLVKDONJSA-N -1 3 273.307 3.349 20 0 CGADHM C[C@@H]1CCN(Cc2ccc(F)cc2Cl)[C@H](C(=O)[O-])C1 ZINC000129489825 346050276 /nfs/dbraw/zinc/05/02/76/346050276.db2.gz YRPMPVOKKVAZCC-RNCFNFMXSA-N -1 3 285.746 3.164 20 0 CGADHM COc1ccc(-c2nc3cc(Cl)ccc3c(=O)[n-]2)cc1 ZINC000222476688 346299540 /nfs/dbraw/zinc/29/95/40/346299540.db2.gz AJRIBEMRALIVAR-UHFFFAOYSA-N -1 3 286.718 3.252 20 0 CGADHM C[C@@H]1CCCN(Cc2ccc(C(=O)[O-])cc2F)[C@H]1C ZINC000252212470 346390700 /nfs/dbraw/zinc/39/07/00/346390700.db2.gz WSUMSLFJYXFZNS-MNOVXSKESA-N -1 3 265.328 3.144 20 0 CGADHM CSC1(CNC(=O)c2cc([O-])c3ccccc3c2)CC1 ZINC000281341235 346418490 /nfs/dbraw/zinc/41/84/90/346418490.db2.gz WYTFLPWVIHKTKI-UHFFFAOYSA-N -1 3 287.384 3.171 20 0 CGADHM C[C@H](C(=O)Nc1ccc([O-])cc1Cl)C(C)(F)F ZINC000328182552 346491626 /nfs/dbraw/zinc/49/16/26/346491626.db2.gz NDGMWQSRCKMPIM-ZCFIWIBFSA-N -1 3 263.671 3.275 20 0 CGADHM COc1cc(Cl)cc(C(=O)Nc2nc(C)ccc2[O-])c1 ZINC000351754915 219197111 /nfs/dbraw/zinc/19/71/11/219197111.db2.gz GMQTVUKNHXAWFS-UHFFFAOYSA-N -1 3 292.722 3.010 20 0 CGADHM [O-]c1cc2c(cc1-c1nc(-c3cscn3)no1)CCCC2 ZINC000584697324 346708492 /nfs/dbraw/zinc/70/84/92/346708492.db2.gz FBDVNRBKBCSSMG-UHFFFAOYSA-N -1 3 299.355 3.445 20 0 CGADHM O=C([O-])C[C@H]1CCCN(C/C=C\c2ccc(F)c(F)c2)C1 ZINC000584706919 346709154 /nfs/dbraw/zinc/70/91/54/346709154.db2.gz CGZDEEWMWCHPTQ-GIDQFRGBSA-N -1 3 295.329 3.165 20 0 CGADHM O=S(=O)(CCC1CC1)[N-]c1csc2ccccc12 ZINC000351767791 219200010 /nfs/dbraw/zinc/20/00/10/219200010.db2.gz YKEKEUNCMUGLLM-UHFFFAOYSA-N -1 3 281.402 3.443 20 0 CGADHM CC[C@@H]([N-]S(=O)(=O)c1cccs1)C1CCCCC1 ZINC000585803133 346730364 /nfs/dbraw/zinc/73/03/64/346730364.db2.gz QKXRTVNYMMMRLZ-GFCCVEGCSA-N -1 3 287.450 3.385 20 0 CGADHM COC(=O)c1cc(Cl)cc(NC(=O)[C@@H](C)C(C)C)c1[O-] ZINC000588097663 346749430 /nfs/dbraw/zinc/74/94/30/346749430.db2.gz YQQQELATWNWSMW-QMMMGPOBSA-N -1 3 299.754 3.063 20 0 CGADHM Cc1ccc(C)c2sc([N-]C(=O)c3csnn3)nc21 ZINC000600253516 347795880 /nfs/dbraw/zinc/79/58/80/347795880.db2.gz KHKBOMJTXVZLDC-UHFFFAOYSA-N -1 3 290.373 3.017 20 0 CGADHM CSc1ccc([O-])c(C(=O)N2CCC(SC)CC2)c1 ZINC000601687276 347904638 /nfs/dbraw/zinc/90/46/38/347904638.db2.gz UECPXFDCQCXHQC-UHFFFAOYSA-N -1 3 297.445 3.082 20 0 CGADHM CC1(C)CC[C@H](CNCc2cccc([O-])c2Cl)O1 ZINC000339356571 215117481 /nfs/dbraw/zinc/11/74/81/215117481.db2.gz JHFGSGSPASAYIH-LLVKDONJSA-N -1 3 269.772 3.093 20 0 CGADHM COC(=O)[C@@H](C)SCc1cc([O-])cc(C(F)(F)F)c1 ZINC000603314295 348069633 /nfs/dbraw/zinc/06/96/33/348069633.db2.gz KSLXWECKQJWSHN-SSDOTTSWSA-N -1 3 294.294 3.206 20 0 CGADHM CC(C)[C@@H](C)C[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000606909355 348207501 /nfs/dbraw/zinc/20/75/01/348207501.db2.gz WKOMJTSALUGEHR-VIFPVBQESA-N -1 3 293.791 3.050 20 0 CGADHM Cc1ccc([O-])c(C(=O)N[C@H]2C[C@@]2(C)c2ccccc2)c1 ZINC000607590199 348249567 /nfs/dbraw/zinc/24/95/67/348249567.db2.gz DPRVNCMXAZHIIJ-WMZOPIPTSA-N -1 3 281.355 3.161 20 0 CGADHM Cc1cscc1[N-]S(=O)(=O)CCc1cccs1 ZINC000357154990 232907629 /nfs/dbraw/zinc/90/76/29/232907629.db2.gz ZQBGKSCDJOQEBY-UHFFFAOYSA-N -1 3 287.431 3.102 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2C3CCCC2CCC3)c1 ZINC000607868873 348269407 /nfs/dbraw/zinc/26/94/07/348269407.db2.gz XMGZFUYEUSSDBG-UHFFFAOYSA-N -1 3 259.349 3.248 20 0 CGADHM Cc1ccn([C@H](C)CC(=O)Nc2cc(Cl)ccc2[O-])n1 ZINC000612754814 348544304 /nfs/dbraw/zinc/54/43/04/348544304.db2.gz RPMZMCXLZNVLNL-SNVBAGLBSA-N -1 3 293.754 3.140 20 0 CGADHM CO[C@H](C(=O)Nc1ccc(Cl)cc1[O-])C1CCCC1 ZINC000613027686 348560258 /nfs/dbraw/zinc/56/02/58/348560258.db2.gz LUNXYPACFRVULH-ZDUSSCGKSA-N -1 3 283.755 3.189 20 0 CGADHM CCCn1nccc1C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000613036372 348561591 /nfs/dbraw/zinc/56/15/91/348561591.db2.gz TXYXCXLKVCJVFV-UHFFFAOYSA-N -1 3 293.754 3.213 20 0 CGADHM O=C(c1ccc2[nH][n-]c(=O)c2c1)N1CCCC12CCCCC2 ZINC000613074800 348563507 /nfs/dbraw/zinc/56/35/07/348563507.db2.gz OTYMZGNSLFUEIR-UHFFFAOYSA-N -1 3 299.374 3.207 20 0 CGADHM O=C(Nc1cccc([O-])c1F)C1CCC2(CC2)CC1 ZINC000613109507 348564885 /nfs/dbraw/zinc/56/48/85/348564885.db2.gz AXPQRYYIENGRID-UHFFFAOYSA-N -1 3 263.312 3.440 20 0 CGADHM Cc1[nH]c(-c2ccccc2)nc1C(=O)Nc1ccccc1[O-] ZINC000613197327 348573954 /nfs/dbraw/zinc/57/39/54/348573954.db2.gz FSSXZRFACQPFBL-UHFFFAOYSA-N -1 3 293.326 3.343 20 0 CGADHM C[C@@H]1CCN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)c2c([O-])cccc21 ZINC000613575462 348620406 /nfs/dbraw/zinc/62/04/06/348620406.db2.gz CZAYPLIPLDPLBA-NDBYEHHHSA-N -1 3 271.360 3.279 20 0 CGADHM CC[C@H]1[C@H](C)CCN1C(=O)c1cc(SC)ccc1[O-] ZINC000613626821 348624025 /nfs/dbraw/zinc/62/40/25/348624025.db2.gz PUEVYIYOPLBUPA-MFKMUULPSA-N -1 3 279.405 3.375 20 0 CGADHM C[C@@H]1C[C@H]1c1ccc(CNC(=O)c2ccccc2[O-])o1 ZINC000614755527 348692686 /nfs/dbraw/zinc/69/26/86/348692686.db2.gz YMOXZKUHTJKLHC-ZWNOBZJWSA-N -1 3 271.316 3.039 20 0 CGADHM [O-]c1cc2ccccc2cc1-c1nc(C[C@H]2CCCO2)no1 ZINC000273476206 192166462 /nfs/dbraw/zinc/16/64/62/192166462.db2.gz RIMAAUICCBCSRN-CYBMUJFWSA-N -1 3 296.326 3.317 20 0 CGADHM O=C(c1ccc2n[n-]nc2c1)N1CCCC2(CCCC2)CC1 ZINC000617566175 348970104 /nfs/dbraw/zinc/97/01/04/348970104.db2.gz XZZKPYJBSKCVKK-UHFFFAOYSA-N -1 3 298.390 3.144 20 0 CGADHM CCc1cc(C(=O)NC[C@@H]2CCC[C@@H]3C[C@@H]32)ccc1[O-] ZINC000618495309 349091942 /nfs/dbraw/zinc/09/19/42/349091942.db2.gz BYDWGUXFGOGSDW-SNPRPXQTSA-N -1 3 273.376 3.121 20 0 CGADHM CCC1(CC)CCCN(C(=O)c2ccc(OC)cc2[O-])C1 ZINC000618671848 349139507 /nfs/dbraw/zinc/13/95/07/349139507.db2.gz UOYTXVXLRLRCEI-UHFFFAOYSA-N -1 3 291.391 3.443 20 0 CGADHM Cc1ccc(CC2CN(C(=O)c3cccc([O-])c3)C2)cc1 ZINC000618885746 349174554 /nfs/dbraw/zinc/17/45/54/349174554.db2.gz WQGAPNRFZXABPV-UHFFFAOYSA-N -1 3 281.355 3.015 20 0 CGADHM CC[C@@H]1CC[C@@H](C)N(C(=O)c2c[n-]c3ccccc3c2=O)C1 ZINC000619132008 349210517 /nfs/dbraw/zinc/21/05/17/349210517.db2.gz FHYXXODVQCKTSZ-CHWSQXEVSA-N -1 3 298.386 3.179 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2ccc(F)cc2Cl)n1 ZINC000352034361 219297088 /nfs/dbraw/zinc/29/70/88/219297088.db2.gz AERBQYMPBOOYHO-HWKANZROSA-N -1 3 264.687 3.454 20 0 CGADHM CC1(C)[C@H](CNC(=O)c2cc([O-])ccc2Cl)C1(F)F ZINC000619392241 349243096 /nfs/dbraw/zinc/24/30/96/349243096.db2.gz VQDPZYHZNYROAS-JTQLQIEISA-N -1 3 289.709 3.067 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)N1CCC[C@@H](C2CCC2)C1 ZINC000620202507 349337013 /nfs/dbraw/zinc/33/70/13/349337013.db2.gz LMYUHIQROHGLDE-CQSZACIVSA-N -1 3 291.366 3.113 20 0 CGADHM Cc1cccc(C(=O)N2CCC[C@@H](C3CCC3)C2)c1[O-] ZINC000620213415 349341186 /nfs/dbraw/zinc/34/11/86/349341186.db2.gz CVQQPIKGOQYHSV-CQSZACIVSA-N -1 3 273.376 3.353 20 0 CGADHM CCc1cc(C(=O)NCC(F)(F)C(C)(C)C)ccc1[O-] ZINC000620613837 349393973 /nfs/dbraw/zinc/39/39/73/349393973.db2.gz VSWYNGJFKLGLGZ-UHFFFAOYSA-N -1 3 285.334 3.366 20 0 CGADHM O=C(c1csc(=O)[n-]1)N1CCC[C@H](C2CCCCC2)C1 ZINC000620689619 349412734 /nfs/dbraw/zinc/41/27/34/349412734.db2.gz PVYVTPOOYHEKPK-LBPRGKRZSA-N -1 3 294.420 3.281 20 0 CGADHM CCO[C@H](c1nc(-c2ccc([O-])cc2)no1)C(C)C ZINC000624555415 350064352 /nfs/dbraw/zinc/06/43/52/350064352.db2.gz FOMKDANGEQFSEY-LBPRGKRZSA-N -1 3 262.309 3.176 20 0 CGADHM CCCCN(C(=O)c1cc(=O)[n-]cn1)[C@H](C)c1ccccc1 ZINC000624808599 350105400 /nfs/dbraw/zinc/10/54/00/350105400.db2.gz JCMNBWCNWLDQRZ-CYBMUJFWSA-N -1 3 299.374 3.186 20 0 CGADHM CN(Cc1cscn1)Cc1cc([O-])ccc1Cl ZINC000625103053 350128812 /nfs/dbraw/zinc/12/88/12/350128812.db2.gz NBRWXZSIAUUYPR-UHFFFAOYSA-N -1 3 268.769 3.134 20 0 CGADHM [O-]c1ccc(Cl)c(CN2CCC[C@H]2C(F)F)c1 ZINC000625277945 350151690 /nfs/dbraw/zinc/15/16/90/350151690.db2.gz VGAPMEICCFMLHG-NSHDSACASA-N -1 3 261.699 3.275 20 0 CGADHM CCCN(C[C@@H]1CCCCO1)C(=O)c1c(C)cccc1[O-] ZINC000625340608 350161684 /nfs/dbraw/zinc/16/16/84/350161684.db2.gz PALJLLGBVNMOCD-AWEZNQCLSA-N -1 3 291.391 3.122 20 0 CGADHM C[C@@]1(C2CC2)CN(Cc2cc([O-])ccc2Cl)CCO1 ZINC000625531541 350181307 /nfs/dbraw/zinc/18/13/07/350181307.db2.gz YZXSUCNOQMLPQC-HNNXBMFYSA-N -1 3 281.783 3.047 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CCCC[C@H]1C(C)C ZINC000625704237 350200796 /nfs/dbraw/zinc/20/07/96/350200796.db2.gz HFASPDTUVGPWCP-ZDUSSCGKSA-N -1 3 261.365 3.351 20 0 CGADHM CC[C@@]1(C)CCCN(C(=O)c2c(C)cccc2[O-])C1 ZINC000625897370 350225209 /nfs/dbraw/zinc/22/52/09/350225209.db2.gz YWCIDZVNYKFKFN-INIZCTEOSA-N -1 3 261.365 3.353 20 0 CGADHM Cc1cc(CN2CC[C@H](C(=O)[O-])[C@H](C)C2)ccc1Cl ZINC000625970528 350237892 /nfs/dbraw/zinc/23/78/92/350237892.db2.gz TVCUJHRZLRDDPW-YPMHNXCESA-N -1 3 281.783 3.191 20 0 CGADHM CSc1ccc(CN2CC[C@H](C(=O)[O-])[C@H](C)C2)s1 ZINC000625970443 350237988 /nfs/dbraw/zinc/23/79/88/350237988.db2.gz QUSRJJPNSDBZRU-KOLCDFICSA-N -1 3 285.434 3.013 20 0 CGADHM Cc1cc(S(=O)(=O)[N-]CCC2(C)CC2)sc1Cl ZINC000359780112 233375754 /nfs/dbraw/zinc/37/57/54/233375754.db2.gz ABWXRGUXCYIZDT-UHFFFAOYSA-N -1 3 293.841 3.178 20 0 CGADHM CCCCCN(CCCOC)C(=O)c1c(C)cccc1[O-] ZINC000626404364 350302944 /nfs/dbraw/zinc/30/29/44/350302944.db2.gz BTYMPPDESMLFNN-UHFFFAOYSA-N -1 3 293.407 3.370 20 0 CGADHM Cc1cccc([O-])c1C(=O)NC1CCC(F)(F)CC1 ZINC000626299801 350293166 /nfs/dbraw/zinc/29/31/66/350293166.db2.gz ZAGLJGRXZCLBCA-UHFFFAOYSA-N -1 3 269.291 3.008 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CCC[C@H](c2ccncc2)C1 ZINC000627231118 350355025 /nfs/dbraw/zinc/35/50/25/350355025.db2.gz HSMZCMMTFSKAPI-HNNXBMFYSA-N -1 3 296.370 3.115 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CC(C)(C)[C@@H]2CCC[C@H]21 ZINC000627546421 350365373 /nfs/dbraw/zinc/36/53/73/350365373.db2.gz ULOUNUZIWOFFLG-CHWSQXEVSA-N -1 3 273.376 3.351 20 0 CGADHM Cc1ccnc([C@H]2CCN(C(=O)c3c(C)cccc3[O-])C2)c1 ZINC000627644008 350372943 /nfs/dbraw/zinc/37/29/43/350372943.db2.gz AKSGDTJHGPKDNO-AWEZNQCLSA-N -1 3 296.370 3.034 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CCSC2(CCC2)CC1 ZINC000627744158 350379432 /nfs/dbraw/zinc/37/94/32/350379432.db2.gz FMEAQHGPMMJVCJ-UHFFFAOYSA-N -1 3 291.416 3.202 20 0 CGADHM O=C([O-])[C@@H]1CCN(Cc2sccc2Cl)[C@H]2CCC[C@H]21 ZINC000629375227 350683488 /nfs/dbraw/zinc/68/34/88/350683488.db2.gz YLSUEBBKVJJTFM-UMNHJUIQSA-N -1 3 299.823 3.477 20 0 CGADHM COc1cc(COc2ccc3c([O-])coc3c2)ccc1C ZINC000630071760 350805677 /nfs/dbraw/zinc/80/56/77/350805677.db2.gz XQNPVSDZSVOFPW-UHFFFAOYSA-N -1 3 284.311 3.158 20 0 CGADHM C[C@@H](CCNCc1c(F)ccc(F)c1Cl)CC(=O)[O-] ZINC000630451968 350842561 /nfs/dbraw/zinc/84/25/61/350842561.db2.gz KTBCRUZDOVEGRN-QMMMGPOBSA-N -1 3 291.725 3.209 20 0 CGADHM CCc1[n-]n(-c2ccnc(C(F)(F)F)c2)c(=O)c1C(C)C ZINC000634618241 351545705 /nfs/dbraw/zinc/54/57/05/351545705.db2.gz KPBOQBDKBHSJJS-GFCCVEGCSA-N -1 3 299.296 3.485 20 0 CGADHM CCc1c(-c2cccc(C)c2)[n-]n(C23CC(C2)C3)c1=O ZINC000634624345 351549039 /nfs/dbraw/zinc/54/90/39/351549039.db2.gz FFZCQMDDVXMZIH-TVIZTDCDSA-N -1 3 268.360 3.120 20 0 CGADHM O=C([O-])c1occc1CN1CCC2(CCSCC2)CC1 ZINC000634696447 351576159 /nfs/dbraw/zinc/57/61/59/351576159.db2.gz XYKNAXFYOKBKLZ-UHFFFAOYSA-N -1 3 295.404 3.087 20 0 CGADHM O=C([O-])c1ccc(CN2CCC[C@H](C3CCC3)CC2)nc1 ZINC000634697899 351576177 /nfs/dbraw/zinc/57/61/77/351576177.db2.gz VRWWQJDEGIIOHM-AWEZNQCLSA-N -1 3 288.391 3.182 20 0 CGADHM CCc1cc(C(=O)N[C@H](C)CCc2ccco2)ccc1[O-] ZINC000291497713 198037775 /nfs/dbraw/zinc/03/77/75/198037775.db2.gz UTLMXBDBLZMARA-GFCCVEGCSA-N -1 3 287.359 3.299 20 0 CGADHM CC1CCC(N(C(=O)c2cc(F)c[n-]c2=O)C2CC2)CC1 ZINC000635440211 351659100 /nfs/dbraw/zinc/65/91/00/351659100.db2.gz LCNKWTOWRRAWFG-UHFFFAOYSA-N -1 3 292.354 3.110 20 0 CGADHM CC(C)(C)SCCCC(=O)[N-]OC/C=C/Cl ZINC000291978192 198122905 /nfs/dbraw/zinc/12/29/05/198122905.db2.gz YYOPJEHBIAWBNE-FNORWQNLSA-N -1 3 265.806 3.099 20 0 CGADHM Cc1sccc1CC(=O)Nc1cc(F)ccc1[O-] ZINC000336459159 213327234 /nfs/dbraw/zinc/32/72/34/213327234.db2.gz BZSGLJGVBJGYEW-UHFFFAOYSA-N -1 3 265.309 3.082 20 0 CGADHM CCc1ccc([C@@H](C)CC(=O)[N-]OCc2cccnc2)cc1 ZINC000152347225 188011679 /nfs/dbraw/zinc/01/16/79/188011679.db2.gz ZCZGMYKTROXOJO-AWEZNQCLSA-N -1 3 298.386 3.386 20 0 CGADHM CCCCC[C@H](C)CC(=O)[N-]OCc1cccnc1 ZINC000152570676 188029133 /nfs/dbraw/zinc/02/91/33/188029133.db2.gz FFBLLBSYABCZCR-ZDUSSCGKSA-N -1 3 264.369 3.236 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CCC[C@H]2c2ccncc2)c1 ZINC000153979355 188114846 /nfs/dbraw/zinc/11/48/46/188114846.db2.gz XZDQLZSHCJZCGN-HNNXBMFYSA-N -1 3 282.343 3.073 20 0 CGADHM C[C@@]1(c2ccc(F)cc2)CCN(C(=O)c2ccccc2[O-])C1 ZINC000369536585 234382107 /nfs/dbraw/zinc/38/21/07/234382107.db2.gz IXFIHJPGHQKPLE-GOSISDBHSA-N -1 3 299.345 3.335 20 0 CGADHM CC(C)CO[N-]C(=O)Nc1ccc(F)cc1Cl ZINC000158177363 188361774 /nfs/dbraw/zinc/36/17/74/188361774.db2.gz CZLNQWYQAFAJAR-UHFFFAOYSA-N -1 3 260.696 3.188 20 0 CGADHM O=C(N[C@H]1CCO[C@@H](c2ccccc2)C1)c1cccc([O-])c1 ZINC000158636974 188386357 /nfs/dbraw/zinc/38/63/57/188386357.db2.gz PTAFVYNFGMEUKR-DOTOQJQBSA-N -1 3 297.354 3.042 20 0 CGADHM CC(=O)c1cc(F)c([N-]C(=O)c2coc(C)c2)c(F)c1F ZINC000336432483 213293751 /nfs/dbraw/zinc/29/37/51/213293751.db2.gz ZNGUHHLIMMNRJN-UHFFFAOYSA-N -1 3 297.232 3.460 20 0 CGADHM C[C@H](CC(=O)[N-]OC1CCCC1)c1cccc(F)c1 ZINC000271742451 191302323 /nfs/dbraw/zinc/30/23/23/191302323.db2.gz IVCHRQYMQOCIBJ-LLVKDONJSA-N -1 3 265.328 3.310 20 0 CGADHM [O-]C(=NOC1CCCC1)Nc1ccc(-c2ccccc2)nn1 ZINC000271801100 191336073 /nfs/dbraw/zinc/33/60/73/191336073.db2.gz KEGXDWVWIGHBRZ-UHFFFAOYSA-N -1 3 298.346 3.139 20 0 CGADHM O=C([N-]OC1CCCC1)Nc1ccc(-c2ccccc2)nn1 ZINC000271801100 191336076 /nfs/dbraw/zinc/33/60/76/191336076.db2.gz KEGXDWVWIGHBRZ-UHFFFAOYSA-N -1 3 298.346 3.139 20 0 CGADHM C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)c1ccccc1[O-] ZINC000336351832 213199272 /nfs/dbraw/zinc/19/92/72/213199272.db2.gz GPCYRATVHAHHOP-KOLCDFICSA-N -1 3 287.281 3.195 20 0 CGADHM O=[S@](C[C@@H]1CCCC(F)(F)C1)c1cccc([O-])c1 ZINC000336327395 213172656 /nfs/dbraw/zinc/17/26/56/213172656.db2.gz ZVQCMMARHKPVDF-MLCYQJTMSA-N -1 3 274.332 3.325 20 0 CGADHM O=C(Nc1ccncc1[O-])[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000109890815 138361958 /nfs/dbraw/zinc/36/19/58/138361958.db2.gz URTPYBVMTOQONR-BDAKNGLRSA-N -1 3 288.269 3.094 20 0 CGADHM O=C(Cc1ccc2ccccc2c1)Nc1ccncc1[O-] ZINC000109890697 138362482 /nfs/dbraw/zinc/36/24/82/138362482.db2.gz YICYIZMUSAQAIX-UHFFFAOYSA-N -1 3 278.311 3.122 20 0 CGADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1cscn1 ZINC000125363144 138381730 /nfs/dbraw/zinc/38/17/30/138381730.db2.gz DHAPOFWZINVWDS-UHFFFAOYSA-N -1 3 288.250 3.120 20 0 CGADHM O=C(NC[C@@H](c1ccccc1)C1CC1)c1cccc([O-])c1 ZINC000294474780 199053626 /nfs/dbraw/zinc/05/36/26/199053626.db2.gz IXIZGHXYMGLRCX-KRWDZBQOSA-N -1 3 281.355 3.316 20 0 CGADHM O=C([O-])c1ccc(CNCc2ccc3ncccc3c2)cc1 ZINC000426687821 236306395 /nfs/dbraw/zinc/30/63/95/236306395.db2.gz MGQOGZHJYBPZIR-UHFFFAOYSA-N -1 3 292.338 3.223 20 0 CGADHM Cc1nc(C)c(CN[C@H](CC(=O)[O-])c2ccsc2)s1 ZINC000426682728 236306676 /nfs/dbraw/zinc/30/66/76/236306676.db2.gz LHJAEGXVYLMOOX-LLVKDONJSA-N -1 3 296.417 3.127 20 0 CGADHM C[C@@]1(C(=O)[O-])CCC[C@H]1NCc1ccsc1Cl ZINC000426742598 236310265 /nfs/dbraw/zinc/31/02/65/236310265.db2.gz KIBBYLYUXFEBFL-BXKDBHETSA-N -1 3 273.785 3.135 20 0 CGADHM Cc1cccc(CN[C@@H](C(=O)[O-])c2ccccc2F)c1C ZINC000426792183 236314472 /nfs/dbraw/zinc/31/44/72/236314472.db2.gz LLXDWIVQBPWPRK-MRXNPFEDSA-N -1 3 287.334 3.358 20 0 CGADHM Cc1ccc(C)c(CN[C@H](C(=O)[O-])c2cccc(F)c2)c1 ZINC000426804599 236315590 /nfs/dbraw/zinc/31/55/90/236315590.db2.gz VBFKMFYRSQTYRD-INIZCTEOSA-N -1 3 287.334 3.358 20 0 CGADHM Cc1ccccc1CN[C@@H](C(=O)[O-])c1cccc(F)c1 ZINC000426805341 236315710 /nfs/dbraw/zinc/31/57/10/236315710.db2.gz ANXGANPXSJLNTJ-OAHLLOKOSA-N -1 3 273.307 3.050 20 0 CGADHM C[C@@H](O)C[C@@H]1CCCCN1Cc1cccc([O-])c1Cl ZINC000294751717 199165810 /nfs/dbraw/zinc/16/58/10/199165810.db2.gz RLFZQMKMOCRPPZ-YPMHNXCESA-N -1 3 283.799 3.171 20 0 CGADHM CCc1ccc([O-])c(NC(=O)c2coc3c2C(=O)CCC3)c1 ZINC000294855590 199215525 /nfs/dbraw/zinc/21/55/25/199215525.db2.gz FYCNCWNHORJJAL-UHFFFAOYSA-N -1 3 299.326 3.319 20 0 CGADHM [O-]c1ccc(F)c(CNc2ccc3c(n2)CCC3)c1F ZINC000294919953 199249015 /nfs/dbraw/zinc/24/90/15/199249015.db2.gz SZGLVWIPIDDAFK-UHFFFAOYSA-N -1 3 276.286 3.166 20 0 CGADHM Cc1cccc([O-])c1NC(=O)[C@H]1CCN(c2ccccc2)C1 ZINC000336186175 213005280 /nfs/dbraw/zinc/00/52/80/213005280.db2.gz DWSBWULRFWRLEO-AWEZNQCLSA-N -1 3 296.370 3.166 20 0 CGADHM O=C(Nc1cccc([O-])c1F)C1(C(F)(F)F)CCC1 ZINC000336186013 213005288 /nfs/dbraw/zinc/00/52/88/213005288.db2.gz KOONZEAWILESDY-UHFFFAOYSA-N -1 3 277.217 3.202 20 0 CGADHM O=C(NCc1csc2ccccc12)c1c([O-])cccc1O ZINC000436647959 237153748 /nfs/dbraw/zinc/15/37/48/237153748.db2.gz NZURFYPWBHFHAS-UHFFFAOYSA-N -1 3 299.351 3.243 20 0 CGADHM O=C(NC1CCC1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436553263 237128047 /nfs/dbraw/zinc/12/80/47/237128047.db2.gz FEPVALKVWPWTMN-UHFFFAOYSA-N -1 3 283.327 3.467 20 0 CGADHM Cc1ccc(C(=O)N2CC[C@H]2Cc2ccccc2)c([O-])c1C ZINC000436575417 237132115 /nfs/dbraw/zinc/13/21/15/237132115.db2.gz MNYIMARCIWXMHT-INIZCTEOSA-N -1 3 295.382 3.466 20 0 CGADHM Cc1cc(C)cc(C[C@H](C)NC(=O)c2ccccc2[O-])c1 ZINC000436569545 237133581 /nfs/dbraw/zinc/13/35/81/237133581.db2.gz FVWJSRNJUIIWKY-AWEZNQCLSA-N -1 3 283.371 3.370 20 0 CGADHM Cc1ccc(C(=O)NCc2ccccc2OC(C)C)c([O-])c1 ZINC000436823858 237185420 /nfs/dbraw/zinc/18/54/20/237185420.db2.gz DJSMMPYPXLHLJH-UHFFFAOYSA-N -1 3 299.370 3.418 20 0 CGADHM CCc1ccc(NC([O-])=NOC(C)C)cc1Cl ZINC000296905779 200031257 /nfs/dbraw/zinc/03/12/57/200031257.db2.gz DTLCJBNOKRRDHL-UHFFFAOYSA-N -1 3 256.733 3.364 20 0 CGADHM CCc1ccc(NC(=O)[N-]OC(C)C)cc1Cl ZINC000296905779 200031260 /nfs/dbraw/zinc/03/12/60/200031260.db2.gz DTLCJBNOKRRDHL-UHFFFAOYSA-N -1 3 256.733 3.364 20 0 CGADHM Cc1ccc(C(=O)NC[C@H]2CCc3ccccc32)c([O-])c1 ZINC000436828284 237191026 /nfs/dbraw/zinc/19/10/26/237191026.db2.gz HNXFQUHILKZVKL-CQSZACIVSA-N -1 3 281.355 3.160 20 0 CGADHM COc1ccc(C(=O)N[C@H]2CCc3cc(C)ccc32)c([O-])c1 ZINC000436673308 237158038 /nfs/dbraw/zinc/15/80/38/237158038.db2.gz DYJZIVOAHVLBID-INIZCTEOSA-N -1 3 297.354 3.127 20 0 CGADHM Cc1ccc(C(=O)N[C@@H](C)c2ccc3n[nH]cc3c2)c([O-])c1 ZINC000436698393 237163789 /nfs/dbraw/zinc/16/37/89/237163789.db2.gz MEKMGWQMDLYVPS-NSHDSACASA-N -1 3 295.342 3.068 20 0 CGADHM Cc1ccc([O-])c(C(=O)N[C@@H](C)Cc2ccccc2C)c1 ZINC000436729984 237169844 /nfs/dbraw/zinc/16/98/44/237169844.db2.gz UXCJQJCOXAHBFY-AWEZNQCLSA-N -1 3 283.371 3.370 20 0 CGADHM CCC(CC)[C@@H](C)C(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000341543896 216007784 /nfs/dbraw/zinc/00/77/84/216007784.db2.gz AORLNXZIJJQKFB-SECBINFHSA-N -1 3 276.340 3.076 20 0 CGADHM CCC(CC)[C@@H](C)C(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000341543896 216007785 /nfs/dbraw/zinc/00/77/85/216007785.db2.gz AORLNXZIJJQKFB-SECBINFHSA-N -1 3 276.340 3.076 20 0 CGADHM CCC(CC)[C@@H](C)C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000341543896 216007787 /nfs/dbraw/zinc/00/77/87/216007787.db2.gz AORLNXZIJJQKFB-SECBINFHSA-N -1 3 276.340 3.076 20 0 CGADHM COc1cccc2c1CC[C@@H]2NC(=O)c1ccc([O-])c(C)c1 ZINC000436937342 237219178 /nfs/dbraw/zinc/21/91/78/237219178.db2.gz HUZDZTKTRDQDAT-HNNXBMFYSA-N -1 3 297.354 3.127 20 0 CGADHM Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc(O)cc1[O-])[C@H](C)C2 ZINC000436888423 237205591 /nfs/dbraw/zinc/20/55/91/237205591.db2.gz RUBYSSBTKBDWPI-DIFFPNOSSA-N -1 3 297.354 3.070 20 0 CGADHM Cc1cc(C(=O)Nc2cc(Cl)cc(C)c2[O-])nc(C)n1 ZINC000436987365 237227997 /nfs/dbraw/zinc/22/79/97/237227997.db2.gz MCRQQLFOGDNHMJ-UHFFFAOYSA-N -1 3 291.738 3.013 20 0 CGADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CCCC2(CC2)C1 ZINC000436934102 237211804 /nfs/dbraw/zinc/21/18/04/237211804.db2.gz RTNAGTFJWBDEGB-UHFFFAOYSA-N -1 3 285.387 3.287 20 0 CGADHM Cc1cc(C(=O)N2CC[C@H](C)C[C@@H](C)C2)ccc1[O-] ZINC000436936625 237216219 /nfs/dbraw/zinc/21/62/19/237216219.db2.gz UTEXJAAOAUQNNE-NWDGAFQWSA-N -1 3 261.365 3.209 20 0 CGADHM Cc1cc(C(=O)N[C@@H]2c3ccccc3C[C@@H]2C)ccc1[O-] ZINC000436939661 237216361 /nfs/dbraw/zinc/21/63/61/237216361.db2.gz PNEOYZAOJXCDRE-SJCJKPOMSA-N -1 3 281.355 3.364 20 0 CGADHM Cc1ccc(C(=O)N[C@@H](c2ccccc2)C(F)F)c([O-])c1 ZINC000437003941 237228897 /nfs/dbraw/zinc/22/88/97/237228897.db2.gz LAYQELSNRAIXFQ-AWEZNQCLSA-N -1 3 291.297 3.437 20 0 CGADHM CCCc1cnc(NC([O-])=NOC[C@@H](C)CC)s1 ZINC000297019970 200063785 /nfs/dbraw/zinc/06/37/85/200063785.db2.gz VFNUDWRWPCBUHU-VIFPVBQESA-N -1 3 271.386 3.195 20 0 CGADHM CCCc1cnc(NC(=O)[N-]OC[C@@H](C)CC)s1 ZINC000297019970 200063786 /nfs/dbraw/zinc/06/37/86/200063786.db2.gz VFNUDWRWPCBUHU-VIFPVBQESA-N -1 3 271.386 3.195 20 0 CGADHM CCc1ccc(NC(=O)c2c[n-]nc2-c2ccncc2)cc1 ZINC000341662048 216054747 /nfs/dbraw/zinc/05/47/47/216054747.db2.gz SPZBWBAYWVWTCW-UHFFFAOYSA-N -1 3 292.342 3.286 20 0 CGADHM CCc1ccc(NC(=O)c2cn[n-]c2-c2ccncc2)cc1 ZINC000341662048 216054748 /nfs/dbraw/zinc/05/47/48/216054748.db2.gz SPZBWBAYWVWTCW-UHFFFAOYSA-N -1 3 292.342 3.286 20 0 CGADHM CC(C)[C@H](C(=O)Nc1ncccc1[O-])c1ccc(F)cc1 ZINC000341884198 216136732 /nfs/dbraw/zinc/13/67/32/216136732.db2.gz GFSDINAXQRUYSM-AWEZNQCLSA-N -1 3 288.322 3.305 20 0 CGADHM O=C(Nc1ncccc1[O-])C1(Cc2ccccc2)CCC1 ZINC000341889522 216139397 /nfs/dbraw/zinc/13/93/97/216139397.db2.gz OYEQHRCHXOMDTH-UHFFFAOYSA-N -1 3 282.343 3.139 20 0 CGADHM O=C(CCCc1ccccc1)[N-]OC/C(Cl)=C/Cl ZINC000177945943 189081269 /nfs/dbraw/zinc/08/12/69/189081269.db2.gz IVQXNTVPYUATJC-XFXZXTDPSA-N -1 3 288.174 3.376 20 0 CGADHM CC[C@H]1CCCN(C(=O)c2c[n-]c3ccc(C)cc3c2=O)C1 ZINC000342015608 216188618 /nfs/dbraw/zinc/18/86/18/216188618.db2.gz VWOGCHCUPOHRBA-ZDUSSCGKSA-N -1 3 298.386 3.099 20 0 CGADHM Cc1ccc([C@H]2CCCN2C(=O)c2csc(=O)[n-]2)cc1 ZINC000335857352 212620085 /nfs/dbraw/zinc/62/00/85/212620085.db2.gz UPYCDZCFDZPWQD-CYBMUJFWSA-N -1 3 288.372 3.134 20 0 CGADHM Cc1occc1S[C@H](C)c1nc(C)cc(=O)[n-]1 ZINC000181284926 189292809 /nfs/dbraw/zinc/29/28/09/189292809.db2.gz SUDKCWNLJQLJLT-SECBINFHSA-N -1 3 250.323 3.245 20 0 CGADHM COc1ccc(CCCN(C)C(=O)c2cccc([O-])c2)cc1 ZINC000182163406 189315902 /nfs/dbraw/zinc/31/59/02/189315902.db2.gz CCFMLBMJIKBWKL-UHFFFAOYSA-N -1 3 299.370 3.106 20 0 CGADHM CC(C)(C)c1nccc(NCc2ccc([O-])c(F)c2)n1 ZINC000301572760 201074650 /nfs/dbraw/zinc/07/46/50/201074650.db2.gz LHFYTJOPLFGJGH-UHFFFAOYSA-N -1 3 275.327 3.231 20 0 CGADHM O=C(N[C@@H](Cc1ccccc1)C1CC1)c1cccc([O-])c1 ZINC000182476851 189325244 /nfs/dbraw/zinc/32/52/44/189325244.db2.gz XIWABVRWDZYRMX-KRWDZBQOSA-N -1 3 281.355 3.143 20 0 CGADHM Cc1noc(C)c1[C@H](C)CC(=O)Nc1c(C)cccc1[O-] ZINC000183029091 189343153 /nfs/dbraw/zinc/34/31/53/189343153.db2.gz XISAWBXABSMEIM-SNVBAGLBSA-N -1 3 288.347 3.438 20 0 CGADHM CC(C)(C)Oc1ccncc1NC(=O)c1cccc([O-])c1 ZINC000182893280 189338973 /nfs/dbraw/zinc/33/89/73/189338973.db2.gz WXPXANGDYVDZPZ-UHFFFAOYSA-N -1 3 286.331 3.217 20 0 CGADHM CSCCCCC(=O)Nc1c(C)cccc1[O-] ZINC000183068432 189344932 /nfs/dbraw/zinc/34/49/32/189344932.db2.gz WOZMMSYIQRRHEL-UHFFFAOYSA-N -1 3 253.367 3.172 20 0 CGADHM CCCn1ncc(C(=O)Nc2ccc(C)cc2[O-])c1C1CC1 ZINC000120133813 370740886 /nfs/dbraw/zinc/74/08/86/370740886.db2.gz LAUROWLOTFWQFE-UHFFFAOYSA-N -1 3 299.374 3.437 20 0 CGADHM CCCn1c(=O)[n-]nc1SCc1cc(C)ccc1F ZINC000450671521 240027664 /nfs/dbraw/zinc/02/76/64/240027664.db2.gz FTLNATGAHSZHOY-UHFFFAOYSA-N -1 3 281.356 3.134 20 0 CGADHM COC(=O)c1cnc(SCCC2=CCCCC2)[n-]1 ZINC000450904291 240145832 /nfs/dbraw/zinc/14/58/32/240145832.db2.gz NPQCDLKGNZMOIF-UHFFFAOYSA-N -1 3 266.366 3.179 20 0 CGADHM C[C@@H](c1ccccc1)N(C)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459301499 242062451 /nfs/dbraw/zinc/06/24/51/242062451.db2.gz WLCBYBZIHLIXRC-LBPRGKRZSA-N -1 3 283.375 3.253 20 0 CGADHM CC(=O)c1cccc(NC(=O)[C@@H]2CCC[C@@H](F)C2)c1[O-] ZINC000335544137 212243938 /nfs/dbraw/zinc/24/39/38/212243938.db2.gz RNPROFYDVDFYKA-GHMZBOCLSA-N -1 3 279.311 3.062 20 0 CGADHM C[C@@H](c1ccco1)N(Cc1cc(=O)[n-]c(C2CC2)n1)C1CC1 ZINC000459394444 242097471 /nfs/dbraw/zinc/09/74/71/242097471.db2.gz UBSQIOPCXRNBPW-NSHDSACASA-N -1 3 299.374 3.378 20 0 CGADHM Cc1ccc([O-])c(C(=O)N[C@H]2COc3c2ccc(C)c3C)c1 ZINC000476294100 243005548 /nfs/dbraw/zinc/00/55/48/243005548.db2.gz QESPFAFZLHFJPH-HNNXBMFYSA-N -1 3 297.354 3.181 20 0 CGADHM COc1cc(C(=O)N(C)C[C@@H](C)c2ccccc2)ccc1[O-] ZINC000275978381 193178645 /nfs/dbraw/zinc/17/86/45/193178645.db2.gz KVUPMIWKVNGUJO-CYBMUJFWSA-N -1 3 299.370 3.277 20 0 CGADHM CC(C)CSCCN=c1[n-]cc(C(F)(F)F)s1 ZINC000477739659 243053449 /nfs/dbraw/zinc/05/34/49/243053449.db2.gz JZJGANWXKUGODH-UHFFFAOYSA-N -1 3 284.372 3.385 20 0 CGADHM CC(C)(C)C(C)(C)C(=O)NCc1ccc([O-])c(F)c1 ZINC000481257144 243184866 /nfs/dbraw/zinc/18/48/66/243184866.db2.gz LAMVRPCFBFIKIH-UHFFFAOYSA-N -1 3 267.344 3.220 20 0 CGADHM CCc1cc(C(=O)N[C@H]2C[C@H]2c2cccc(F)c2)ccc1[O-] ZINC000486138436 243354209 /nfs/dbraw/zinc/35/42/09/243354209.db2.gz PSLFAGVSISBUNC-HOTGVXAUSA-N -1 3 299.345 3.380 20 0 CGADHM CC[C@@]1(C)Oc2ccc(NC(=O)[N-]OCC(C)C)cc2O1 ZINC000276004612 193185846 /nfs/dbraw/zinc/18/58/46/193185846.db2.gz ALNVQEQZINGQLK-HNNXBMFYSA-N -1 3 294.351 3.293 20 0 CGADHM Cc1cccc(C(=O)N[C@@H](C)c2ccccc2)c1[O-] ZINC000019836878 368770126 /nfs/dbraw/zinc/77/01/26/368770126.db2.gz GEDLFMNHDVYFDM-LBPRGKRZSA-N -1 3 255.317 3.192 20 0 CGADHM Cc1cccc(C(=O)Nc2cc(F)ccc2C)c1[O-] ZINC000019839831 368771027 /nfs/dbraw/zinc/77/10/27/368771027.db2.gz CGBXJZSTLTXESL-UHFFFAOYSA-N -1 3 259.280 3.400 20 0 CGADHM COc1cccc(C(=O)Nc2ccc(F)cc2C)c1[O-] ZINC000019840177 368772275 /nfs/dbraw/zinc/77/22/75/368772275.db2.gz ODJZNEVBROPLMS-UHFFFAOYSA-N -1 3 275.279 3.101 20 0 CGADHM O=C([O-])[C@@H]1C[C@H](NCc2ccsc2)c2ccccc21 ZINC000417618892 304145579 /nfs/dbraw/zinc/14/55/79/304145579.db2.gz JWMHYDMRGVRWFC-KGLIPLIRSA-N -1 3 273.357 3.151 20 0 CGADHM Cc1cc(F)ccc1NC(=O)c1c[n-]c2ccccc2c1=O ZINC000032672566 368941409 /nfs/dbraw/zinc/94/14/09/368941409.db2.gz ODFSMBBOMBHRDC-UHFFFAOYSA-N -1 3 296.301 3.228 20 0 CGADHM Cc1cc(F)ccc1NC(=O)c1cnc2ccccc2c1[O-] ZINC000032672566 368941413 /nfs/dbraw/zinc/94/14/13/368941413.db2.gz ODFSMBBOMBHRDC-UHFFFAOYSA-N -1 3 296.301 3.228 20 0 CGADHM COc1cccc(C(=O)N(C)[C@@H]2CCC[C@H](C)C2)c1[O-] ZINC000042355399 369215777 /nfs/dbraw/zinc/21/57/77/369215777.db2.gz WRMPRAXZEOCTDR-NWDGAFQWSA-N -1 3 277.364 3.052 20 0 CGADHM C[C@H](C1CC1)n1cc(NCc2cc([O-])cc(F)c2)cn1 ZINC000494474816 244292377 /nfs/dbraw/zinc/29/23/77/244292377.db2.gz RVISSTZNIHBCPJ-SNVBAGLBSA-N -1 3 275.327 3.311 20 0 CGADHM CCCCO[C@@H](C)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000049180117 369392104 /nfs/dbraw/zinc/39/21/04/369392104.db2.gz BFNVNRSGZIYSSD-VIFPVBQESA-N -1 3 271.744 3.189 20 0 CGADHM CC[C@H]1CCCN(C(=O)c2ccc(C)c(C)c2[O-])C1 ZINC000049040766 369383516 /nfs/dbraw/zinc/38/35/16/369383516.db2.gz GMVHATBAOYUJPW-ZDUSSCGKSA-N -1 3 261.365 3.271 20 0 CGADHM COc1cc(C(=O)N2CCC[C@H]3CCCC[C@H]32)ccc1[O-] ZINC000276105708 193214696 /nfs/dbraw/zinc/21/46/96/193214696.db2.gz JOZPJAOGPSYGJZ-TZMCWYRMSA-N -1 3 289.375 3.196 20 0 CGADHM O=C(Nc1cccc([O-])c1F)c1cc(F)c(F)c(F)c1 ZINC000129133325 370976141 /nfs/dbraw/zinc/97/61/41/370976141.db2.gz SCYAOWZJBUQVTR-UHFFFAOYSA-N -1 3 285.196 3.201 20 0 CGADHM [O-]c1ccc(Sc2ncc(Br)cn2)cc1 ZINC000067120292 369711860 /nfs/dbraw/zinc/71/18/60/369711860.db2.gz CEUQQYYVSPWDMA-UHFFFAOYSA-N -1 3 283.150 3.096 20 0 CGADHM O=C(N[C@H]1CCCOc2ccccc21)c1ccccc1[O-] ZINC000436717478 284179785 /nfs/dbraw/zinc/17/97/85/284179785.db2.gz GCDCCRAJXBSQAH-AWEZNQCLSA-N -1 3 283.327 3.036 20 0 CGADHM Cc1ccn(-c2ccccc2NCc2nc(C)ccc2[O-])n1 ZINC000090200877 370057690 /nfs/dbraw/zinc/05/76/90/370057690.db2.gz RPASGJIXTCNDID-UHFFFAOYSA-N -1 3 294.358 3.202 20 0 CGADHM Cc1ccc(C(=O)N[C@H](C)Cc2cccs2)c([O-])c1C ZINC000097489744 370243859 /nfs/dbraw/zinc/24/38/59/370243859.db2.gz WMZAQGJWPLCGBF-LLVKDONJSA-N -1 3 289.400 3.432 20 0 CGADHM Cc1ccc(CN(C)C(=O)c2cc(C)ccc2[O-])s1 ZINC000102736082 370309435 /nfs/dbraw/zinc/30/94/35/370309435.db2.gz CZPWEAVVTZQTDK-UHFFFAOYSA-N -1 3 275.373 3.343 20 0 CGADHM COc1ccc([O-])c(C(=O)N(C)[C@H](C)C2CCCCC2)c1 ZINC000512719355 245047693 /nfs/dbraw/zinc/04/76/93/245047693.db2.gz AJSNUHHOROAURX-GFCCVEGCSA-N -1 3 291.391 3.442 20 0 CGADHM CC(C)C(C)(C)CNCc1c(F)ccc([O-])c1F ZINC000513013408 245059921 /nfs/dbraw/zinc/05/99/21/245059921.db2.gz ZHOIONRPYLAPTC-UHFFFAOYSA-N -1 3 257.324 3.442 20 0 CGADHM O=C([O-])CCCN1CCC[C@H]1c1cccc(Cl)c1 ZINC000116359354 370558715 /nfs/dbraw/zinc/55/87/15/370558715.db2.gz OLSLUGNOMPHMFX-ZDUSSCGKSA-N -1 3 267.756 3.342 20 0 CGADHM O=C(Cc1cnc2ccccc2c1)Nc1cc(F)ccc1[O-] ZINC000131785105 371130438 /nfs/dbraw/zinc/13/04/38/371130438.db2.gz VKQNNEFCGQTJEF-UHFFFAOYSA-N -1 3 296.301 3.261 20 0 CGADHM Cc1ccc([O-])c(-c2nc([C@H]3CCO[C@H](C)C3)no2)c1 ZINC000331643456 204038619 /nfs/dbraw/zinc/03/86/19/204038619.db2.gz JYQXOUZSVWLOPV-MNOVXSKESA-N -1 3 274.320 3.033 20 0 CGADHM CC[C@H]1CCCCN1Cc1cc(C(=O)[O-])oc1C ZINC000011993423 541851428 /nfs/dbraw/zinc/85/14/28/541851428.db2.gz LDOGYDSHPJQJPW-LBPRGKRZSA-N -1 3 251.326 3.051 20 0 CGADHM CC(C)c1nc(C(=O)NCc2ccc([O-])c(F)c2)cs1 ZINC000132891149 371210311 /nfs/dbraw/zinc/21/03/11/371210311.db2.gz QCGLLQMFVKOOHX-UHFFFAOYSA-N -1 3 294.351 3.041 20 0 CGADHM CCc1noc(C)c1[N-]C(=O)c1cc(C)c(CC)o1 ZINC000133209941 371236192 /nfs/dbraw/zinc/23/61/92/371236192.db2.gz MITOZGNZFLZCQH-UHFFFAOYSA-N -1 3 262.309 3.262 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2c(C)noc2C2CC2)c1 ZINC000135594357 371438178 /nfs/dbraw/zinc/43/81/78/371438178.db2.gz YHIIZCPKFGXXNT-UHFFFAOYSA-N -1 3 286.331 3.381 20 0 CGADHM COCCCO[N-]C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000286888294 371567685 /nfs/dbraw/zinc/56/76/85/371567685.db2.gz IUBQYCHTSJFJNE-UHFFFAOYSA-N -1 3 280.368 3.074 20 0 CGADHM O=C(Nc1ccc(Cl)cc1O)c1ccccc1[O-] ZINC000153469098 371770602 /nfs/dbraw/zinc/77/06/02/371770602.db2.gz CIRVQTIZUVAHAY-UHFFFAOYSA-N -1 3 263.680 3.004 20 0 CGADHM Cc1ccc(C(=O)N2CC[C@@H](C)[C@@H](C)C2)c([O-])c1C ZINC000153733070 371785205 /nfs/dbraw/zinc/78/52/05/371785205.db2.gz UUFNEPLCOOGXES-PWSUYJOCSA-N -1 3 261.365 3.127 20 0 CGADHM Cc1cc(CN2[C@@H](C)CCC[C@@H]2C)oc1C(=O)[O-] ZINC000036812794 541860183 /nfs/dbraw/zinc/86/01/83/541860183.db2.gz BXNPQWZERBCMQU-QWRGUYRKSA-N -1 3 251.326 3.049 20 0 CGADHM CCC[C@@H](NC(=O)c1csc(=O)[n-]1)c1ccccc1 ZINC000344112896 217057441 /nfs/dbraw/zinc/05/74/41/217057441.db2.gz AYPFGYZNOXXLAB-LLVKDONJSA-N -1 3 276.361 3.120 20 0 CGADHM Cc1noc(C2CC2)c1[N-]C(=O)c1cccc(F)c1F ZINC000156714214 371992381 /nfs/dbraw/zinc/99/23/81/371992381.db2.gz IEXDHQWVPYODRS-UHFFFAOYSA-N -1 3 278.258 3.391 20 0 CGADHM COc1cc(C(=O)Nc2ccccc2[O-])ccc1Cl ZINC000157537739 372025347 /nfs/dbraw/zinc/02/53/47/372025347.db2.gz YSUAYJIHZIKCHO-UHFFFAOYSA-N -1 3 277.707 3.307 20 0 CGADHM CC(C)CO[N-]C(=O)Nc1ccc(-c2ccccn2)cc1 ZINC000290612394 372028664 /nfs/dbraw/zinc/02/86/64/372028664.db2.gz YPBGACXIRASXEA-UHFFFAOYSA-N -1 3 285.347 3.458 20 0 CGADHM Cc1nsc(C)c1C(=O)[N-]c1nc(C(C)(C)C)ns1 ZINC000292953509 372259673 /nfs/dbraw/zinc/25/96/73/372259673.db2.gz FFXUEXQXRKCTCB-UHFFFAOYSA-N -1 3 296.421 3.161 20 0 CGADHM CSC1(CNCc2cccc([O-])c2Cl)CC1 ZINC000293158526 372314652 /nfs/dbraw/zinc/31/46/52/372314652.db2.gz FKOOCTINZGZLRG-UHFFFAOYSA-N -1 3 257.786 3.031 20 0 CGADHM [O-]c1cccc(CNCCC[C@H]2CCCCO2)c1Cl ZINC000293197876 372324573 /nfs/dbraw/zinc/32/45/73/372324573.db2.gz ILPGASHOFLCGMT-CYBMUJFWSA-N -1 3 283.799 3.485 20 0 CGADHM COC[C@@H](C)c1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000293395514 372372757 /nfs/dbraw/zinc/37/27/57/372372757.db2.gz JSVUPVXXZRNHFY-SNVBAGLBSA-N -1 3 284.315 3.345 20 0 CGADHM CC1(C)C[C@H](NCc2cccc([O-])c2Cl)CCO1 ZINC000293405515 372377048 /nfs/dbraw/zinc/37/70/48/372377048.db2.gz YMWOFZITUFMHKP-LLVKDONJSA-N -1 3 269.772 3.093 20 0 CGADHM C[C@H](CCc1cccn1C)NCc1cccc([O-])c1Cl ZINC000293515721 372400128 /nfs/dbraw/zinc/40/01/28/372400128.db2.gz IHTDSBNQVAYVKW-GFCCVEGCSA-N -1 3 292.810 3.495 20 0 CGADHM CC(C)(C)c1n[nH]cc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000293526004 372403235 /nfs/dbraw/zinc/40/32/35/372403235.db2.gz ZKFVLNHZSSDJSK-UHFFFAOYSA-N -1 3 293.754 3.319 20 0 CGADHM CC(C)(C)c1[nH]ncc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000293526004 372403240 /nfs/dbraw/zinc/40/32/40/372403240.db2.gz ZKFVLNHZSSDJSK-UHFFFAOYSA-N -1 3 293.754 3.319 20 0 CGADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)nc2)c(Cl)c1 ZINC000430977525 372413648 /nfs/dbraw/zinc/41/36/48/372413648.db2.gz FVETYBQOSQVZBU-UHFFFAOYSA-N -1 3 296.779 3.153 20 0 CGADHM CC[C@H]1CC[C@H](N=c2[n-]c(C(=O)OC)c(C)s2)CC1 ZINC000431485768 372476662 /nfs/dbraw/zinc/47/66/62/372476662.db2.gz TYCWIGNPSQDYBD-XYPYZODXSA-N -1 3 282.409 3.041 20 0 CGADHM Cc1cc(CNC(=O)c2cc([O-])ccc2Cl)ccc1F ZINC000431518060 372483574 /nfs/dbraw/zinc/48/35/74/372483574.db2.gz IKFWVKZPGQSSEE-UHFFFAOYSA-N -1 3 293.725 3.423 20 0 CGADHM O=C(NC[C@H]1CCCCC(F)(F)C1)c1cccc([O-])c1 ZINC000293695966 372452676 /nfs/dbraw/zinc/45/26/76/372452676.db2.gz QDCKQBOQTAAKFR-NSHDSACASA-N -1 3 283.318 3.338 20 0 CGADHM CO[C@@H](CNCc1cccc([O-])c1Cl)C(C)(C)C ZINC000293724117 372461682 /nfs/dbraw/zinc/46/16/82/372461682.db2.gz YRUVMFGETPDHJX-LBPRGKRZSA-N -1 3 271.788 3.196 20 0 CGADHM C[C@H]1CN(Cc2c(F)ccc([O-])c2F)CCC1(F)F ZINC000293964560 372538398 /nfs/dbraw/zinc/53/83/98/372538398.db2.gz QBLJMWNPAAULSU-QMMMGPOBSA-N -1 3 277.261 3.148 20 0 CGADHM CC1(C)CN(Cc2cccc([O-])c2Cl)[C@@H]1[C@@H]1CCCO1 ZINC000293828702 372494455 /nfs/dbraw/zinc/49/44/55/372494455.db2.gz GKBFCUPXYUZMNS-DZGCQCFKSA-N -1 3 295.810 3.435 20 0 CGADHM CC1(C)CN(Cc2cccc([O-])c2Cl)[C@H]1[C@@H]1CCCO1 ZINC000293828706 372494613 /nfs/dbraw/zinc/49/46/13/372494613.db2.gz GKBFCUPXYUZMNS-ZFWWWQNUSA-N -1 3 295.810 3.435 20 0 CGADHM Cc1ccc([O-])c(CN2CC(C)(C)[C@@H]2c2ccncc2)n1 ZINC000293934988 372529837 /nfs/dbraw/zinc/52/98/37/372529837.db2.gz NUQXXVHPYVGQTG-INIZCTEOSA-N -1 3 283.375 3.074 20 0 CGADHM C[C@H]1C[C@@H]1c1ccc(CCC(=O)Nc2ncccc2[O-])o1 ZINC000053287335 541878645 /nfs/dbraw/zinc/87/86/45/541878645.db2.gz OZMJFPBVLPVFIB-JQWIXIFHSA-N -1 3 286.331 3.075 20 0 CGADHM Cc1cc(C)c2[n-]cc(C(=O)N(C)CCC3CC3)c(=O)c2c1 ZINC000165212525 372545304 /nfs/dbraw/zinc/54/53/04/372545304.db2.gz NEQHNJXBULKRQP-UHFFFAOYSA-N -1 3 298.386 3.429 20 0 CGADHM Cc1cc(C(=O)NC[C@@H]2C[C@H]2c2ccccc2)ccc1[O-] ZINC000294467952 372656351 /nfs/dbraw/zinc/65/63/51/372656351.db2.gz IKQMKUQXESELLW-HOTGVXAUSA-N -1 3 281.355 3.234 20 0 CGADHM Cc1cc(C)cc(CN(C)C(=O)c2cccc([O-])c2)c1 ZINC000434344047 372671424 /nfs/dbraw/zinc/67/14/24/372671424.db2.gz ITEQPEFYZMCTGE-UHFFFAOYSA-N -1 3 269.344 3.281 20 0 CGADHM CN(C)c1cccc(C(=O)N2CCCc3cccc([O-])c32)c1 ZINC000170873052 372675084 /nfs/dbraw/zinc/67/50/84/372675084.db2.gz ZUNLCTXXNNLHHH-UHFFFAOYSA-N -1 3 296.370 3.051 20 0 CGADHM COC(=O)c1cnc(SC[C@H]2CCCCC2(F)F)[n-]1 ZINC000295452725 372788075 /nfs/dbraw/zinc/78/80/75/372788075.db2.gz WOOABKLKNBMSRI-MRVPVSSYSA-N -1 3 290.335 3.114 20 0 CGADHM COc1cccc(C(=O)N(C)CCc2ccccc2C)c1[O-] ZINC000295457149 372789093 /nfs/dbraw/zinc/78/90/93/372789093.db2.gz PQCVOVUMOPOOJJ-UHFFFAOYSA-N -1 3 299.370 3.024 20 0 CGADHM Cc1cccc([O-])c1NC(=O)c1cc2ccccc2c(=O)o1 ZINC000435803355 372814114 /nfs/dbraw/zinc/81/41/14/372814114.db2.gz FJSSLBLEVGISRA-UHFFFAOYSA-N -1 3 295.294 3.059 20 0 CGADHM C[C@H]1CCN(C(=O)c2cc3c(cc2[O-])CCCC3)[C@H]1C ZINC000436575026 372838063 /nfs/dbraw/zinc/83/80/63/372838063.db2.gz LUYNPWOONGZZRL-RYUDHWBXSA-N -1 3 273.376 3.142 20 0 CGADHM O=C(Nc1cccc([O-])c1F)[C@@H]1C[C@]12CCc1ccccc12 ZINC000335773842 284352305 /nfs/dbraw/zinc/35/23/05/284352305.db2.gz DJACVHDBNRVHQU-UGSOOPFHSA-N -1 3 297.329 3.374 20 0 CGADHM CC(C)O[N-]C(=O)[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000295722818 372889359 /nfs/dbraw/zinc/88/93/59/372889359.db2.gz QRWXFCAMDZFMIJ-RKDXNWHRSA-N -1 3 271.719 3.039 20 0 CGADHM Cc1nc(S(=O)(=O)[C@H](C)c2cccc(Cl)c2)[n-]c1C ZINC000295801177 372916408 /nfs/dbraw/zinc/91/64/08/372916408.db2.gz FAHYQDJKSWBFNG-SNVBAGLBSA-N -1 3 298.795 3.215 20 0 CGADHM Cc1ccc(NC(=O)[C@@]23CC[C@@H](CC2=O)C3(C)C)c([O-])c1 ZINC000296543465 373172506 /nfs/dbraw/zinc/17/25/06/373172506.db2.gz TZYVTBYYKOCZQY-APPDUMDISA-N -1 3 287.359 3.035 20 0 CGADHM CCOc1cc(Cl)ccc1NC([O-])=NOC(C)C ZINC000296561449 373178398 /nfs/dbraw/zinc/17/83/98/373178398.db2.gz HTPAXDLZIRDXKV-UHFFFAOYSA-N -1 3 272.732 3.200 20 0 CGADHM CCOc1cc(Cl)ccc1NC(=O)[N-]OC(C)C ZINC000296561449 373178403 /nfs/dbraw/zinc/17/84/03/373178403.db2.gz HTPAXDLZIRDXKV-UHFFFAOYSA-N -1 3 272.732 3.200 20 0 CGADHM CC[C@@H](CO)NC(=O)c1cc(C(C)C)cc(C(C)C)c1[O-] ZINC000444511077 373196345 /nfs/dbraw/zinc/19/63/45/373196345.db2.gz SOTZJBLEALNRMU-ZDUSSCGKSA-N -1 3 293.407 3.140 20 0 CGADHM CCS[C@@H](C(=O)Nc1cc(F)ccc1[O-])C(C)C ZINC000174893355 373378118 /nfs/dbraw/zinc/37/81/18/373378118.db2.gz HFUNNAJCRJRBEG-GFCCVEGCSA-N -1 3 271.357 3.248 20 0 CGADHM O=C(Nc1ccccc1[O-])[C@H]1C[C@@]12CCc1ccccc12 ZINC000175085786 373405433 /nfs/dbraw/zinc/40/54/33/373405433.db2.gz RPRNMEDHVKDWOW-RDTXWAMCSA-N -1 3 279.339 3.235 20 0 CGADHM COc1cccc(C(=O)N2C[C@H](C)[C@@H]2c2ccccc2)c1[O-] ZINC000175164668 373422441 /nfs/dbraw/zinc/42/24/41/373422441.db2.gz JSJJJYNAVVESJQ-BLLLJJGKSA-N -1 3 297.354 3.234 20 0 CGADHM Cc1cc(C(=O)N=c2cc(-c3ccccc3F)o[n-]2)co1 ZINC000448490798 373579248 /nfs/dbraw/zinc/57/92/48/373579248.db2.gz QHDZLICVEIIDJD-UHFFFAOYSA-N -1 3 286.262 3.056 20 0 CGADHM CO[C@@H](C)Cc1nc(=O)c2c3ccccc3sc2[n-]1 ZINC000448104941 373546934 /nfs/dbraw/zinc/54/69/34/373546934.db2.gz MATYGUSTUAVUMU-QMMMGPOBSA-N -1 3 274.345 3.128 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)N[C@@H](c1ccccc1)C1CC1 ZINC000448628311 373630734 /nfs/dbraw/zinc/63/07/34/373630734.db2.gz RMVCOXFMQYLEOU-SFHVURJKSA-N -1 3 299.345 3.341 20 0 CGADHM COc1csc(C(=O)[N-]c2nnc(CC(C)C)s2)c1 ZINC000176626714 373619285 /nfs/dbraw/zinc/61/92/85/373619285.db2.gz FJDLHSQNIXYYQD-UHFFFAOYSA-N -1 3 297.405 3.059 20 0 CGADHM CCCCN(C)c1ccc(-c2nc(CC)cc(=O)[n-]2)cn1 ZINC000301181628 373684602 /nfs/dbraw/zinc/68/46/02/373684602.db2.gz PGMINPSILFPMCN-UHFFFAOYSA-N -1 3 286.379 3.043 20 0 CGADHM CCOc1cccc(C(=O)Nc2c(C)cccc2[O-])c1 ZINC000179559270 373888111 /nfs/dbraw/zinc/88/81/11/373888111.db2.gz MOEHZOJCDOAQLX-UHFFFAOYSA-N -1 3 271.316 3.352 20 0 CGADHM Cc1ccc(C(=O)Nc2c[nH]nc2-c2ccccc2)c([O-])c1 ZINC000179905116 373936631 /nfs/dbraw/zinc/93/66/31/373936631.db2.gz OXHGLOPLJGJEHM-UHFFFAOYSA-N -1 3 293.326 3.343 20 0 CGADHM Cc1ccc(C(=O)NC[C@H](C)Cc2cccs2)c([O-])c1 ZINC000303961826 374033810 /nfs/dbraw/zinc/03/38/10/374033810.db2.gz WXXUGYQTBPNJOW-GFCCVEGCSA-N -1 3 289.400 3.371 20 0 CGADHM COc1ccc(F)cc1[C@@H](C)NC(=O)c1cccc([O-])c1 ZINC000182118713 374222033 /nfs/dbraw/zinc/22/20/33/374222033.db2.gz GDSIUOMUNJDOAK-SNVBAGLBSA-N -1 3 289.306 3.031 20 0 CGADHM CC1(C)CN(C(=O)Cc2ccc([O-])c(F)c2)[C@H]2CCC[C@@H]21 ZINC000452154371 374254297 /nfs/dbraw/zinc/25/42/97/374254297.db2.gz HYQGUYQMLICATP-JSGCOSHPSA-N -1 3 291.366 3.111 20 0 CGADHM COc1cc(C(=O)[N-]c2sc3c(c2C)CCCC3)on1 ZINC000182873417 374338005 /nfs/dbraw/zinc/33/80/05/374338005.db2.gz RVGAEJWTEDHBLU-UHFFFAOYSA-N -1 3 292.360 3.184 20 0 CGADHM CC(C)(C(=O)Nc1ccc([O-])cc1F)C1CCC1 ZINC000322777265 374354769 /nfs/dbraw/zinc/35/47/69/374354769.db2.gz LJYFXMHTVQNUAH-UHFFFAOYSA-N -1 3 251.301 3.296 20 0 CGADHM CCC[C@@H]1C[C@@H](C(=O)Nc2cccc([O-])c2F)CCO1 ZINC000182950005 374348598 /nfs/dbraw/zinc/34/85/98/374348598.db2.gz LQDUOXVOHXSAEA-WDEREUQCSA-N -1 3 281.327 3.065 20 0 CGADHM CO[C@@H](C(=O)Nc1c(C)cccc1[O-])c1ccccc1 ZINC000182974730 374351957 /nfs/dbraw/zinc/35/19/57/374351957.db2.gz RPYGSMOVYZBCCV-OAHLLOKOSA-N -1 3 271.316 3.027 20 0 CGADHM O=C([O-])[C@@]1(C(F)(F)F)CCN([C@@H]2CCc3ccccc32)C1 ZINC000086773206 541940931 /nfs/dbraw/zinc/94/09/31/541940931.db2.gz WFZZSGFUDNIGMQ-TZMCWYRMSA-N -1 3 299.292 3.013 20 0 CGADHM CC(=O)Nc1cc(NCc2cc([O-])cc(F)c2)ccc1F ZINC000184139896 374497533 /nfs/dbraw/zinc/49/75/33/374497533.db2.gz LWFXSRXBGKUCAD-UHFFFAOYSA-N -1 3 292.285 3.241 20 0 CGADHM CC1(C)CCC[C@H](CC(=O)NCc2ncccc2[O-])C1 ZINC000331019514 374497636 /nfs/dbraw/zinc/49/76/36/374497636.db2.gz NONFRKMIXZCXGO-GFCCVEGCSA-N -1 3 276.380 3.010 20 0 CGADHM CC1CCC(CN2Cc3ccccc3[C@H](C(=O)[O-])C2)CC1 ZINC000089584131 541952787 /nfs/dbraw/zinc/95/27/87/541952787.db2.gz VULYAGWJRVQCKA-MQBCKMQZSA-N -1 3 287.403 3.497 20 0 CGADHM Cc1ocnc1C(=O)[N-]c1c(F)cc(Cl)c(C)c1F ZINC000334192928 206172043 /nfs/dbraw/zinc/17/20/43/206172043.db2.gz JBOBANURTSJFRV-UHFFFAOYSA-N -1 3 286.665 3.475 20 0 CGADHM CCO[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000332027310 374549863 /nfs/dbraw/zinc/54/98/63/374549863.db2.gz WRMCQEQYZHJWHB-SMDDNHRTSA-N -1 3 277.364 3.053 20 0 CGADHM CN(Cc1ccoc1)C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000332094728 374552860 /nfs/dbraw/zinc/55/28/60/374552860.db2.gz DGROXKZDBBJVBN-UHFFFAOYSA-N -1 3 285.343 3.136 20 0 CGADHM O=c1[nH]c(CC2CCCCC2)nc2ccc([O-])cc21 ZINC000332505117 374578890 /nfs/dbraw/zinc/57/88/90/374578890.db2.gz FOOCQYBJTTUKBV-UHFFFAOYSA-N -1 3 258.321 3.164 20 0 CGADHM O=S(=O)([N-]c1ccc(F)cc1Cl)c1ccsc1 ZINC000334239051 206237581 /nfs/dbraw/zinc/23/75/81/206237581.db2.gz NGVIJRTZPMSLHX-UHFFFAOYSA-N -1 3 291.756 3.341 20 0 CGADHM CC(C)[C@@]1(C)C[C@H]1NC(=O)Cc1ccc([O-])cc1Cl ZINC000458106951 374689105 /nfs/dbraw/zinc/68/91/05/374689105.db2.gz DPBBUVJJBLUYIS-UKRRQHHQSA-N -1 3 281.783 3.139 20 0 CGADHM CCSCCS[C@@H](C)c1nc(C)cc(=O)[n-]1 ZINC000185580979 374691907 /nfs/dbraw/zinc/69/19/07/374691907.db2.gz BKDWAILFVICPIZ-VIFPVBQESA-N -1 3 258.412 3.038 20 0 CGADHM COc1ccc(CN(C)Cc2cc([O-])cc(F)c2)cc1 ZINC000186157736 374804318 /nfs/dbraw/zinc/80/43/18/374804318.db2.gz IKSVHEARAIQKTJ-UHFFFAOYSA-N -1 3 275.323 3.172 20 0 CGADHM Cc1cccc([O-])c1NC(=O)[C@H]1COc2cc(C)c(C)cc21 ZINC000186305407 374830217 /nfs/dbraw/zinc/83/02/17/374830217.db2.gz WHCLQENXXQRBHP-AWEZNQCLSA-N -1 3 297.354 3.432 20 0 CGADHM C[C@H]1CCCN(Cc2cc(F)cc(Cl)c2)[C@@H]1C(=O)[O-] ZINC000334576567 374877922 /nfs/dbraw/zinc/87/79/22/374877922.db2.gz HDYZMVFTCDFQNH-ZANVPECISA-N -1 3 285.746 3.164 20 0 CGADHM C[C@H]1CCN(C(=O)CC[C@H]2CCOC2)c2c([O-])cccc21 ZINC000186331827 374833733 /nfs/dbraw/zinc/83/37/33/374833733.db2.gz MYCSOSXEYCWKKC-STQMWFEESA-N -1 3 289.375 3.049 20 0 CGADHM C[C@@H]1CCCN(Cc2cc3ccccc3o2)[C@@H]1C(=O)[O-] ZINC000334648121 374940331 /nfs/dbraw/zinc/94/03/31/374940331.db2.gz QJGCAGWBYNDPBG-ABAIWWIYSA-N -1 3 273.332 3.118 20 0 CGADHM Cc1ncsc1[N-]C(=O)c1ncsc1C(F)(F)F ZINC000335067804 375102779 /nfs/dbraw/zinc/10/27/79/375102779.db2.gz FXHYLCGTFRHBBX-UHFFFAOYSA-N -1 3 293.295 3.179 20 0 CGADHM COC(=O)c1cnc(S[C@@H]2CCCc3ccccc32)[n-]1 ZINC000187591752 375050613 /nfs/dbraw/zinc/05/06/13/375050613.db2.gz VTROUSCONDOFGK-CYBMUJFWSA-N -1 3 288.372 3.366 20 0 CGADHM O=C([N-]c1ccc(F)cc1F)c1nc2cccnc2s1 ZINC000345650583 217653219 /nfs/dbraw/zinc/65/32/19/217653219.db2.gz ZTPYSYFUNHVIQB-UHFFFAOYSA-N -1 3 291.282 3.222 20 0 CGADHM CCc1ccc(C(=O)N2C[C@H](C)CC[C@@H]2C)c([O-])c1 ZINC000188127261 375163648 /nfs/dbraw/zinc/16/36/48/375163648.db2.gz IKGMMOUFRYWSAI-NEPJUHHUSA-N -1 3 261.365 3.215 20 0 CGADHM C[C@@H]1C[C@@H]1c1noc(Cc2ccc([O-])cc2Cl)n1 ZINC000335205283 375226712 /nfs/dbraw/zinc/22/67/12/375226712.db2.gz GKEQJMQBHDIJHP-XCBNKYQSSA-N -1 3 264.712 3.143 20 0 CGADHM [O-]c1ccc(F)c(CN2CCC[C@H]2[C@H]2CCCOC2)c1F ZINC000335423472 375282576 /nfs/dbraw/zinc/28/25/76/375282576.db2.gz KLVZFINYECHJQT-FZMZJTMJSA-N -1 3 297.345 3.061 20 0 CGADHM CCc1ccc(C(=O)N2CCC[C@H]2c2ccncc2)c([O-])c1 ZINC000189014520 375311436 /nfs/dbraw/zinc/31/14/36/375311436.db2.gz NKTCEBHJKXXPFH-INIZCTEOSA-N -1 3 296.370 3.327 20 0 CGADHM O=C(C1CC2(CCC2)C1)N1CCCc2cccc([O-])c21 ZINC000335488297 375321359 /nfs/dbraw/zinc/32/13/59/375321359.db2.gz HAMRWPVBUGEYIB-UHFFFAOYSA-N -1 3 271.360 3.252 20 0 CGADHM CCc1ccc(-c2nc(-c3ccncc3)no2)c([O-])c1 ZINC000189176572 375337103 /nfs/dbraw/zinc/33/71/03/375337103.db2.gz LZHPMVLFDJWGLA-UHFFFAOYSA-N -1 3 267.288 3.067 20 0 CGADHM Cc1cc(C(=O)[N-]c2c(F)cccc2Br)on1 ZINC000335700587 375357681 /nfs/dbraw/zinc/35/76/81/375357681.db2.gz HIXJSMYSZQCKII-UHFFFAOYSA-N -1 3 299.099 3.137 20 0 CGADHM Cc1ccc(Cl)c([N-]S(=O)(=O)c2cccnc2)c1C ZINC000335714616 375371331 /nfs/dbraw/zinc/37/13/31/375371331.db2.gz MBYZRPSRIVMVQF-UHFFFAOYSA-N -1 3 296.779 3.153 20 0 CGADHM CC(C)(C)n1cnc([N-]C(=O)c2sccc2Cl)n1 ZINC000335776821 375421762 /nfs/dbraw/zinc/42/17/62/375421762.db2.gz DEMXSSORFLZEDB-UHFFFAOYSA-N -1 3 284.772 3.000 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)[C@H]2C[C@@H]2C(F)F)c1[O-] ZINC000335926730 375545024 /nfs/dbraw/zinc/54/50/24/375545024.db2.gz NMVTVNACSMWYNO-YUMQZZPRSA-N -1 3 275.682 3.194 20 0 CGADHM CC(C)(C)c1ccc(NC(=O)C2CCC(O)CC2)c([O-])c1 ZINC000336143355 375722206 /nfs/dbraw/zinc/72/22/06/375722206.db2.gz PFBFPWJBVGLZJT-UHFFFAOYSA-N -1 3 291.391 3.179 20 0 CGADHM CCc1nc(C)c(C(=O)[N-]c2c(F)cccc2F)o1 ZINC000336132168 375712192 /nfs/dbraw/zinc/71/21/92/375712192.db2.gz BXQOPPHOSMEFIE-UHFFFAOYSA-N -1 3 266.247 3.076 20 0 CGADHM COc1ccc([O-])c(C(=O)N[C@@H]2CCc3cc(C)ccc32)c1 ZINC000508221031 375741018 /nfs/dbraw/zinc/74/10/18/375741018.db2.gz HLXNDGAKKRCTCI-MRXNPFEDSA-N -1 3 297.354 3.127 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)N2CC[C@H](c3ccccc3)C2)n1 ZINC000192559066 375764251 /nfs/dbraw/zinc/76/42/51/375764251.db2.gz GVRUHZXGVBYNKL-HIFRSBDPSA-N -1 3 283.375 3.041 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)N[C@@H](C)[C@@H](C)c2ccccc2)n1 ZINC000192768577 375788426 /nfs/dbraw/zinc/78/84/26/375788426.db2.gz UEFNHNCPEURUBY-HZSPNIEDSA-N -1 3 285.391 3.333 20 0 CGADHM CN(Cc1c(Cl)cccc1C(=O)[O-])C1CCCC1 ZINC000517949103 375827207 /nfs/dbraw/zinc/82/72/07/375827207.db2.gz RKRYTXSJXCSEIN-UHFFFAOYSA-N -1 3 267.756 3.413 20 0 CGADHM O=C([O-])c1csc(CN2CCC[C@@H]2C2CCCCC2)n1 ZINC000519412791 375836910 /nfs/dbraw/zinc/83/69/10/375836910.db2.gz MXHOKRKNJNOIDI-CYBMUJFWSA-N -1 3 294.420 3.386 20 0 CGADHM COc1c(F)ccc(F)c1C(=O)[N-]c1ncccc1Cl ZINC000336587171 375854794 /nfs/dbraw/zinc/85/47/94/375854794.db2.gz WVMRZYVKZQZTAX-UHFFFAOYSA-N -1 3 298.676 3.274 20 0 CGADHM COC(=O)c1cnc(S[C@H](C)c2ccccc2F)[n-]1 ZINC000193540163 375893475 /nfs/dbraw/zinc/89/34/75/375893475.db2.gz MVJSHYDJYHCHGF-MRVPVSSYSA-N -1 3 280.324 3.189 20 0 CGADHM CCCCOC(=O)c1cccc(Br)c1[O-] ZINC000730366050 572347566 /nfs/dbraw/zinc/34/75/66/572347566.db2.gz ZVACQIUKBPAMLY-UHFFFAOYSA-N -1 3 273.126 3.112 20 0 CGADHM CC1(C)CCCC[C@H]1C(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000193895667 375936027 /nfs/dbraw/zinc/93/60/27/375936027.db2.gz AZWJPJYEWLPPDS-NSHDSACASA-N -1 3 299.378 3.022 20 0 CGADHM CC1(C)CCCC[C@H]1C(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000193895667 375936038 /nfs/dbraw/zinc/93/60/38/375936038.db2.gz AZWJPJYEWLPPDS-NSHDSACASA-N -1 3 299.378 3.022 20 0 CGADHM CC1(C)CCCC[C@H]1C(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000193895667 375936045 /nfs/dbraw/zinc/93/60/45/375936045.db2.gz AZWJPJYEWLPPDS-NSHDSACASA-N -1 3 299.378 3.022 20 0 CGADHM CCN(Cc1ccc(C)cc1)Cc1nc(C)ccc1[O-] ZINC000535072423 376021265 /nfs/dbraw/zinc/02/12/65/376021265.db2.gz DNILCGOEWCSBHG-UHFFFAOYSA-N -1 3 270.376 3.426 20 0 CGADHM [O-]c1cccc(CNC[C@H]2CCCCS2)c1Cl ZINC000336890949 376021635 /nfs/dbraw/zinc/02/16/35/376021635.db2.gz IAFZLJHGQOXXKQ-LLVKDONJSA-N -1 3 271.813 3.421 20 0 CGADHM Cc1ccc2nc(C)c(C(=O)Nc3ncccc3[O-])cc2c1 ZINC000194626744 376028307 /nfs/dbraw/zinc/02/83/07/376028307.db2.gz VGSUOGSYVPASJI-UHFFFAOYSA-N -1 3 293.326 3.205 20 0 CGADHM C[C@@H](Oc1ccccc1F)C(=O)Nc1cccc([O-])c1F ZINC000536462184 376091987 /nfs/dbraw/zinc/09/19/87/376091987.db2.gz GPTQIDZSPDUMTA-SECBINFHSA-N -1 3 293.269 3.076 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2cccc(F)c2F)c1 ZINC000536685615 376121915 /nfs/dbraw/zinc/12/19/15/376121915.db2.gz BMULFGFIGDYHCJ-UHFFFAOYSA-N -1 3 277.270 3.485 20 0 CGADHM CCCC[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(C)o1 ZINC000536893106 376142186 /nfs/dbraw/zinc/14/21/86/376142186.db2.gz JUFCIYGNLFGSFZ-STQMWFEESA-N -1 3 285.409 3.225 20 0 CGADHM CCc1cccc(C(=O)N(C)[C@@H](C)CCSC)c1[O-] ZINC000538759884 376270122 /nfs/dbraw/zinc/27/01/22/376270122.db2.gz ARFAJJOROUZQDG-NSHDSACASA-N -1 3 281.421 3.168 20 0 CGADHM CCc1cccc(C(=O)Nc2cccc(OC)c2)c1[O-] ZINC000539849733 376341994 /nfs/dbraw/zinc/34/19/94/376341994.db2.gz KNCBQCQCAJEDAZ-UHFFFAOYSA-N -1 3 271.316 3.216 20 0 CGADHM Cc1cccc(C(=O)N[C@H](C(C)(C)C)C(F)(F)F)c1[O-] ZINC000539874326 376343949 /nfs/dbraw/zinc/34/39/49/376343949.db2.gz WXMBVYYVWJNKPK-GFCCVEGCSA-N -1 3 289.297 3.407 20 0 CGADHM C[C@@H](c1ccc(F)cc1F)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000226420401 376358243 /nfs/dbraw/zinc/35/82/43/376358243.db2.gz BTONWKVYBZIYFP-QWRGUYRKSA-N -1 3 283.318 3.213 20 0 CGADHM Cc1cc(C(=O)N[C@H](C)Cc2cccs2)ccc1[O-] ZINC000226717643 376369833 /nfs/dbraw/zinc/36/98/33/376369833.db2.gz DECBPRYGVZSOEA-LLVKDONJSA-N -1 3 275.373 3.123 20 0 CGADHM Cc1cc(C(=O)NCCc2ccc(Cl)cc2)ccc1[O-] ZINC000226713274 376370112 /nfs/dbraw/zinc/37/01/12/376370112.db2.gz RQEQEWJREFVGKG-UHFFFAOYSA-N -1 3 289.762 3.327 20 0 CGADHM Cc1cc(F)cc(NC(=O)c2ccc([O-])c(C)c2)c1 ZINC000227041456 376378917 /nfs/dbraw/zinc/37/89/17/376378917.db2.gz FTIXGAKTKVHFMV-UHFFFAOYSA-N -1 3 259.280 3.400 20 0 CGADHM COc1cccc(Cl)c1CN[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000228805400 376449880 /nfs/dbraw/zinc/44/98/80/376449880.db2.gz FIJLRRYZLQBICE-QWRGUYRKSA-N -1 3 297.782 3.082 20 0 CGADHM CN(C(=O)c1cc([O-])ccc1C(F)(F)F)[C@@H]1CC1(C)C ZINC000338918717 376574851 /nfs/dbraw/zinc/57/48/51/376574851.db2.gz JSAXGZLAZLOPBK-LLVKDONJSA-N -1 3 287.281 3.282 20 0 CGADHM CC1(C)CCC[C@@H]1NC(=O)c1cc([O-])ccc1Cl ZINC000232766377 376588343 /nfs/dbraw/zinc/58/83/43/376588343.db2.gz YXPLCAYKUIHFFP-LBPRGKRZSA-N -1 3 267.756 3.354 20 0 CGADHM Cc1ccc(CNC(=O)c2cc([O-])ccc2Cl)cc1 ZINC000235899821 376652798 /nfs/dbraw/zinc/65/27/98/376652798.db2.gz VLTSOBZRTKQNOU-UHFFFAOYSA-N -1 3 275.735 3.284 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2nc(C(C)C)n3ccccc23)n1 ZINC000339114818 376687814 /nfs/dbraw/zinc/68/78/14/376687814.db2.gz HXDNFJNIPGXHMM-BQYQJAHWSA-N -1 3 294.358 3.432 20 0 CGADHM CCOc1ccc(C=Cc2nc(C)cc(=O)[n-]2)cc1OC ZINC000339115182 376688939 /nfs/dbraw/zinc/68/89/39/376688939.db2.gz BLKYERIVCMIGME-VURMDHGXSA-N -1 3 286.331 3.068 20 0 CGADHM Cc1sc(C(=O)[O-])cc1CN1CCCC[C@H]1C ZINC000155948707 542125731 /nfs/dbraw/zinc/12/57/31/542125731.db2.gz RJKRBBCSDZHHBB-SECBINFHSA-N -1 3 253.367 3.129 20 0 CGADHM O=C(c1cccc(F)c1F)N1CCCc2cccc([O-])c21 ZINC000063063944 296251852 /nfs/dbraw/zinc/25/18/52/296251852.db2.gz SNLKJGXKHCCQID-UHFFFAOYSA-N -1 3 289.281 3.263 20 0 CGADHM COc1cc(C)cc(C(=O)Nc2cccc(C3CC3)n2)c1[O-] ZINC000558531734 377017498 /nfs/dbraw/zinc/01/74/98/377017498.db2.gz AZGSQZONIGFXMA-UHFFFAOYSA-N -1 3 298.342 3.234 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000246249625 376998141 /nfs/dbraw/zinc/99/81/41/376998141.db2.gz SQPLUUUHZKHLDZ-IWIIMEHWSA-N -1 3 265.740 3.420 20 0 CGADHM C[C@H](Oc1ccc(F)cc1)C(=O)Nc1cc(F)ccc1[O-] ZINC000340328490 377005037 /nfs/dbraw/zinc/00/50/37/377005037.db2.gz CAZGWDMLUWMIAY-VIFPVBQESA-N -1 3 293.269 3.076 20 0 CGADHM CCOc1ccc(F)c([N-]C(=O)c2oc(C)nc2C)c1F ZINC000340436880 377055174 /nfs/dbraw/zinc/05/51/74/377055174.db2.gz UTBFPMLEARDVLI-UHFFFAOYSA-N -1 3 296.273 3.221 20 0 CGADHM CCc1cccc(C(=O)N[C@H](C)Cc2cccc(O)c2)c1[O-] ZINC000560640792 377184261 /nfs/dbraw/zinc/18/42/61/377184261.db2.gz UBMPEHVSVODRCA-GFCCVEGCSA-N -1 3 299.370 3.021 20 0 CGADHM CN1CCCC[C@@H]1CCSc1nc(C2CC2)cc(=O)[n-]1 ZINC000340708864 377229266 /nfs/dbraw/zinc/22/92/66/377229266.db2.gz VWUFQVBRFMYSRB-GFCCVEGCSA-N -1 3 293.436 3.026 20 0 CGADHM CCc1cc(C(=O)NCc2ccc(F)c(C)c2)ccc1[O-] ZINC000561091798 377205587 /nfs/dbraw/zinc/20/55/87/377205587.db2.gz LAEIJCRFIXCVRE-UHFFFAOYSA-N -1 3 287.334 3.332 20 0 CGADHM CCC[C@H](C(=O)[O-])N(C)Cc1ccc(F)cc1Cl ZINC000563278226 377433120 /nfs/dbraw/zinc/43/31/20/377433120.db2.gz STESDJCLVSAJBI-GFCCVEGCSA-N -1 3 273.735 3.164 20 0 CGADHM CCSCC[C@H](C)N(C)Cc1ccc(C(=O)[O-])c(F)c1 ZINC000563455115 377471189 /nfs/dbraw/zinc/47/11/89/377471189.db2.gz ZPIGLXJTHLVVNH-NSHDSACASA-N -1 3 299.411 3.487 20 0 CGADHM Cc1ccc(C(=O)N(C)[C@@H](C)Cc2ccc(O)cc2)c([O-])c1 ZINC000092760445 249034144 /nfs/dbraw/zinc/03/41/44/249034144.db2.gz HZFKSUMZNWUJRF-ZDUSSCGKSA-N -1 3 299.370 3.109 20 0 CGADHM C[C@H]1CCCC[C@H]1CC(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000516842361 249245019 /nfs/dbraw/zinc/24/50/19/249245019.db2.gz GRCYUAVJYKWVIC-RYUDHWBXSA-N -1 3 299.378 3.022 20 0 CGADHM C[C@H]1CCCC[C@H]1CC(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000516842361 249245023 /nfs/dbraw/zinc/24/50/23/249245023.db2.gz GRCYUAVJYKWVIC-RYUDHWBXSA-N -1 3 299.378 3.022 20 0 CGADHM C[C@H]1CCCC[C@H]1CC(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000516842361 249245025 /nfs/dbraw/zinc/24/50/25/249245025.db2.gz GRCYUAVJYKWVIC-RYUDHWBXSA-N -1 3 299.378 3.022 20 0 CGADHM Cc1cccc(C(=O)N2CCC[C@H]2c2ccccn2)c1[O-] ZINC000516203222 249228933 /nfs/dbraw/zinc/22/89/33/249228933.db2.gz DMRPINOZDVTBOC-HNNXBMFYSA-N -1 3 282.343 3.073 20 0 CGADHM CC(C)c1noc([N-][C@H]2CCc3c2cccc3F)n1 ZINC000265587310 190191552 /nfs/dbraw/zinc/19/15/52/190191552.db2.gz HIKSZMGLGRDHML-LBPRGKRZSA-N -1 3 261.300 3.432 20 0 CGADHM CC/C=C\CCSc1n[n-]c(-c2ccccn2)n1 ZINC000341664408 377612869 /nfs/dbraw/zinc/61/28/69/377612869.db2.gz JFWIJELVMLBDHN-ARJAWSKDSA-N -1 3 260.366 3.315 20 0 CGADHM Cc1ccc2[n-]cc(C(=O)N(C)[C@@H](C)C3CCC3)c(=O)c2c1 ZINC000342578176 377671282 /nfs/dbraw/zinc/67/12/82/377671282.db2.gz WSXOXTBXJYZXNK-LBPRGKRZSA-N -1 3 298.386 3.097 20 0 CGADHM CCCCOCCN1[C@@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000575003504 377736663 /nfs/dbraw/zinc/73/66/63/377736663.db2.gz OYQFKNLWDDPAAO-JKSUJKDBSA-N -1 3 291.391 3.093 20 0 CGADHM CCc1[n-][nH]c(=NC(=O)C2=C(c3ccccc3)CCC2)c1C ZINC000575071065 377744162 /nfs/dbraw/zinc/74/41/62/377744162.db2.gz NIJYUOVLEPDMIY-UHFFFAOYSA-N -1 3 295.386 3.279 20 0 CGADHM CC(C)(C)C[C@@H]1CCCN1Cc1nc(C(=O)[O-])cs1 ZINC000575130263 377752048 /nfs/dbraw/zinc/75/20/48/377752048.db2.gz RLKZCMFJRAJGMB-JTQLQIEISA-N -1 3 282.409 3.242 20 0 CGADHM CCc1cc(C(=O)NCCc2ccc(F)cc2)ccc1[O-] ZINC000575147233 377755472 /nfs/dbraw/zinc/75/54/72/377755472.db2.gz PQFVMXIWETVBLC-UHFFFAOYSA-N -1 3 287.334 3.066 20 0 CGADHM CC(C)(C)[C@@H](NCCC(=O)[O-])c1ccc(F)cc1F ZINC000263186755 377921870 /nfs/dbraw/zinc/92/18/70/377921870.db2.gz HYCDTLSPZDJOTI-ZDUSSCGKSA-N -1 3 271.307 3.116 20 0 CGADHM Cc1ccc(CN2C[C@H](C(=O)[O-])CC[C@H]2C)cc1Cl ZINC000263490806 377940652 /nfs/dbraw/zinc/94/06/52/377940652.db2.gz IMFMCQVXGZTJEY-DGCLKSJQSA-N -1 3 281.783 3.334 20 0 CGADHM C[C@H](c1ccc(F)cc1F)N1C[C@@H](C)[C@](C)(C(=O)[O-])C1 ZINC000579848063 378201725 /nfs/dbraw/zinc/20/17/25/378201725.db2.gz LJAOKKCAHMFUJL-IQMDTDKHSA-N -1 3 283.318 3.068 20 0 CGADHM COc1cccc2c1n[n-]c2C(=O)Nc1ccc(C)cc1 ZINC000345141534 378204416 /nfs/dbraw/zinc/20/44/16/378204416.db2.gz RBXVIIBOLBOIDB-UHFFFAOYSA-N -1 3 281.315 3.132 20 0 CGADHM COc1cccc2c(C(=O)Nc3ccc(C)cc3)n[n-]c21 ZINC000345141534 378204419 /nfs/dbraw/zinc/20/44/19/378204419.db2.gz RBXVIIBOLBOIDB-UHFFFAOYSA-N -1 3 281.315 3.132 20 0 CGADHM Cc1ccc(NC(=O)CC2(C(F)(F)F)CC2)c([O-])c1 ZINC000345235099 378230080 /nfs/dbraw/zinc/23/00/80/378230080.db2.gz FAJZOCAFPVUIBZ-UHFFFAOYSA-N -1 3 273.254 3.372 20 0 CGADHM CC(C)CON=C([O-])Nc1nc2c(s1)CCCCC2 ZINC000269665436 378251411 /nfs/dbraw/zinc/25/14/11/378251411.db2.gz LHBSFUVOTAXRML-UHFFFAOYSA-N -1 3 283.397 3.121 20 0 CGADHM CC(C)CO[N-]C(=O)Nc1nc2c(s1)CCCCC2 ZINC000269665436 378251419 /nfs/dbraw/zinc/25/14/19/378251419.db2.gz LHBSFUVOTAXRML-UHFFFAOYSA-N -1 3 283.397 3.121 20 0 CGADHM CCc1oc(C(=O)[O-])cc1CN1CC(C)(C)C[C@@H]1C ZINC000582186928 378291835 /nfs/dbraw/zinc/29/18/35/378291835.db2.gz XROPMGDRACJXGT-JTQLQIEISA-N -1 3 265.353 3.161 20 0 CGADHM C[C@@H]1CC[C@@H](C)N1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000345735589 378358632 /nfs/dbraw/zinc/35/86/32/378358632.db2.gz CPXJYIKTWCONCL-VXGBXAGGSA-N -1 3 279.355 3.253 20 0 CGADHM Cc1ccc(NC(=O)CCCc2ccc([O-])c(F)c2)cn1 ZINC000345898008 378402959 /nfs/dbraw/zinc/40/29/59/378402959.db2.gz ZXUOOMARGJSZML-UHFFFAOYSA-N -1 3 288.322 3.196 20 0 CGADHM CCn1c(C(=O)Nc2nc(C)ccc2[O-])cc2ccccc21 ZINC000345939031 378414580 /nfs/dbraw/zinc/41/45/80/378414580.db2.gz YHZIHLHNCICMMW-UHFFFAOYSA-N -1 3 295.342 3.323 20 0 CGADHM CC(C)c1ccc(C(=O)N(C)CC(F)(F)F)c([O-])c1 ZINC000271044655 378437096 /nfs/dbraw/zinc/43/70/96/378437096.db2.gz RFCCFRSHULCIKX-UHFFFAOYSA-N -1 3 275.270 3.150 20 0 CGADHM Cc1noc([N-]C(=O)[C@H](C)OCc2cccc(C)c2)c1C ZINC000636924885 378439101 /nfs/dbraw/zinc/43/91/01/378439101.db2.gz KCQOPPVOIRPKEJ-ZDUSSCGKSA-N -1 3 288.347 3.144 20 0 CGADHM Cc1ccc(C(=O)N(C)[C@H](C)c2ccco2)c([O-])c1C ZINC000271275300 378487890 /nfs/dbraw/zinc/48/78/90/378487890.db2.gz PFKFWDNBBGPGLE-GFCCVEGCSA-N -1 3 273.332 3.435 20 0 CGADHM Cc1cc(C(=O)N2CC3C[C@@H]4CC2C[C@H](C3)C4)ccc1[O-] ZINC000272417372 378632635 /nfs/dbraw/zinc/63/26/35/378632635.db2.gz JQHWDUSPLNXCBM-KKNUOHPOSA-N -1 3 285.387 3.351 20 0 CGADHM CCc1ccc(CN(C)[C@@H](C)c2nc(C)cc(=O)[n-]2)cc1 ZINC000346506675 378599456 /nfs/dbraw/zinc/59/94/56/378599456.db2.gz PKUPYKYEBDGMKY-ZDUSSCGKSA-N -1 3 285.391 3.246 20 0 CGADHM COc1cc(C(=O)N(C)[C@@H]2CCCC[C@@H]2C)ccc1[O-] ZINC000272625811 378679357 /nfs/dbraw/zinc/67/93/57/378679357.db2.gz SHOBMLIIOZYFFZ-WCQYABFASA-N -1 3 277.364 3.052 20 0 CGADHM CC[C@H]1CCCC[C@@H]1OCC(=O)[N-]c1onc(C)c1C ZINC000274411678 378828297 /nfs/dbraw/zinc/82/82/97/378828297.db2.gz VQNUTHFYZWTIGG-STQMWFEESA-N -1 3 280.368 3.215 20 0 CGADHM C[C@H](C(=O)Nc1ccc([O-])c(Cl)c1)N1[C@H](C)CC[C@H]1C ZINC000275935812 378960623 /nfs/dbraw/zinc/96/06/23/378960623.db2.gz IMEXLISATCDNGZ-GMTAPVOTSA-N -1 3 296.798 3.245 20 0 CGADHM CCC(CC)N(CC(C)C)C(=O)c1csc(=O)[n-]1 ZINC000348906834 379109413 /nfs/dbraw/zinc/10/94/13/379109413.db2.gz BUVZYDZNSXFWHD-UHFFFAOYSA-N -1 3 270.398 3.136 20 0 CGADHM CC[C@H](C)c1nnc([C@H](C)NCc2cc([O-])cc(F)c2)[nH]1 ZINC000277446443 379159921 /nfs/dbraw/zinc/15/99/21/379159921.db2.gz OWSMVQMAJFNJAH-UWVGGRQHSA-N -1 3 292.358 3.014 20 0 CGADHM COc1cccc(CN[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])c1 ZINC000277463253 379164863 /nfs/dbraw/zinc/16/48/63/379164863.db2.gz VQLOJUUMHGDKPJ-DYVFJYSZSA-N -1 3 299.370 3.247 20 0 CGADHM O=C(NC1CCC2(CC2)CC1)c1c[n-]c2ccccc2c1=O ZINC000277408952 379150693 /nfs/dbraw/zinc/15/06/93/379150693.db2.gz GDRZOHPVZONPMX-UHFFFAOYSA-N -1 3 296.370 3.393 20 0 CGADHM CCCC[C@@H](NCc1cccc(Cl)c1F)C(=O)[O-] ZINC000277413221 379154172 /nfs/dbraw/zinc/15/41/72/379154172.db2.gz SOHSWOLJEDQYLO-LLVKDONJSA-N -1 3 273.735 3.212 20 0 CGADHM C[C@@H](CCCC(=O)[O-])NCc1cc(Cl)ccc1F ZINC000277545465 379184803 /nfs/dbraw/zinc/18/48/03/379184803.db2.gz ZXLLAKXLIWKGPU-VIFPVBQESA-N -1 3 273.735 3.212 20 0 CGADHM CN(C(=O)c1cc([O-])ccc1Cl)C(C1CC1)C1CC1 ZINC000277712057 379222206 /nfs/dbraw/zinc/22/22/06/379222206.db2.gz OYRLHJGNFIFJJL-UHFFFAOYSA-N -1 3 279.767 3.306 20 0 CGADHM [O-]c1cc(F)cc(CNCc2cnc3ccccc3c2)c1 ZINC000349633914 379326817 /nfs/dbraw/zinc/32/68/17/379326817.db2.gz TXGFWBMJRWFDIC-UHFFFAOYSA-N -1 3 282.318 3.369 20 0 CGADHM [O-]c1cc(F)cc(CN[C@@H](c2cccnc2)C2CC2)c1 ZINC000349667736 379338544 /nfs/dbraw/zinc/33/85/44/379338544.db2.gz MSTUQOYVIKYXSV-MRXNPFEDSA-N -1 3 272.323 3.167 20 0 CGADHM O=C1c2ccccc2N[C@H](c2ccc([O-])cc2F)N1C1CC1 ZINC000639406740 379368214 /nfs/dbraw/zinc/36/82/14/379368214.db2.gz YXAQGWMEVRONGN-INIZCTEOSA-N -1 3 298.317 3.260 20 0 CGADHM CCn1ncc(C(=O)Nc2ccc(C)cc2[O-])c1C1CC1 ZINC000639462197 379410623 /nfs/dbraw/zinc/41/06/23/379410623.db2.gz QTZZFGQJXULOJB-UHFFFAOYSA-N -1 3 285.347 3.047 20 0 CGADHM CC(C)(C)c1cnc(CN[C@@H]2CCCC[C@@H]2C(=O)[O-])s1 ZINC000569724500 322255288 /nfs/dbraw/zinc/25/52/88/322255288.db2.gz UEXVNUKLJLSRSY-WDEREUQCSA-N -1 3 296.436 3.174 20 0 CGADHM COc1cccc(-c2nc(C3CCSCC3)no2)c1[O-] ZINC000350858979 379596638 /nfs/dbraw/zinc/59/66/38/379596638.db2.gz IENXRBOMDSKCAK-UHFFFAOYSA-N -1 3 292.360 3.061 20 0 CGADHM [O-]c1ccc(-c2noc(COc3ccsc3)n2)cc1 ZINC000350567644 379562759 /nfs/dbraw/zinc/56/27/59/379562759.db2.gz SPRDUCRTDYMYND-UHFFFAOYSA-N -1 3 274.301 3.083 20 0 CGADHM [O-]c1ccc(-c2noc(-c3ccnnc3)n2)c2ccccc12 ZINC000350586994 379565889 /nfs/dbraw/zinc/56/58/89/379565889.db2.gz SOPKWZCEZHXDHB-UHFFFAOYSA-N -1 3 290.282 3.052 20 0 CGADHM CCc1ccc(C(=O)N2CCC(C)=C(C)C2)c([O-])c1 ZINC000280216015 379643808 /nfs/dbraw/zinc/64/38/08/379643808.db2.gz KOISLIGSIBFDFX-UHFFFAOYSA-N -1 3 259.349 3.137 20 0 CGADHM CCC[C@@H](OC)c1noc(-c2n[n-]nc2-c2ccccc2)n1 ZINC000351140848 379660641 /nfs/dbraw/zinc/66/06/41/379660641.db2.gz ZFCFHXDMNRYEAO-LLVKDONJSA-N -1 3 299.334 3.009 20 0 CGADHM O=C([N-]c1cc(F)ccc1F)c1coc(C2CCC2)n1 ZINC000193783030 542272683 /nfs/dbraw/zinc/27/26/83/542272683.db2.gz OTFQBNXQISDWRE-UHFFFAOYSA-N -1 3 278.258 3.473 20 0 CGADHM O=C(CCC1CCC1)N1CCCc2cccc([O-])c21 ZINC000352666347 379902719 /nfs/dbraw/zinc/90/27/19/379902719.db2.gz VKESGMYNUHXXJN-UHFFFAOYSA-N -1 3 259.349 3.252 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-][C@H](C)C2CCCCC2)c(F)c1 ZINC000404856158 379984719 /nfs/dbraw/zinc/98/47/19/379984719.db2.gz BMCUMYCVZKAVIF-GFCCVEGCSA-N -1 3 299.411 3.381 20 0 CGADHM CC(=O)c1ccc(C(=O)N2C[C@H](C)CCC[C@@H]2C)cc1[O-] ZINC000408468867 380014891 /nfs/dbraw/zinc/01/48/91/380014891.db2.gz RQCPSRIIQAMXFT-NEPJUHHUSA-N -1 3 289.375 3.246 20 0 CGADHM Cc1ccc([N-]S(=O)(=O)CCC2CCCC2)c(O)c1 ZINC000641689080 380046314 /nfs/dbraw/zinc/04/63/14/380046314.db2.gz OEYGXPXFRFWUGW-UHFFFAOYSA-N -1 3 283.393 3.023 20 0 CGADHM CC[C@@H]1CC[C@H](c2nc(-c3ccc([O-])c(OC)c3)no2)O1 ZINC000268070929 190374377 /nfs/dbraw/zinc/37/43/77/190374377.db2.gz JXOSEQZVNNZQAD-ZYHUDNBSSA-N -1 3 290.319 3.081 20 0 CGADHM Cc1cc(OCc2ccccc2C)cc2occ([O-])c21 ZINC000642609380 380179624 /nfs/dbraw/zinc/17/96/24/380179624.db2.gz HIQVSGRJRYQSFD-UHFFFAOYSA-N -1 3 268.312 3.458 20 0 CGADHM Cc1ccc2c(CN3CCC[C@@H]3C(F)F)ccc([O-])c2n1 ZINC000353190657 380159962 /nfs/dbraw/zinc/15/99/62/380159962.db2.gz JDKWILDWQPWXBB-CYBMUJFWSA-N -1 3 292.329 3.478 20 0 CGADHM CCN(Cc1occc1C)Cc1cc([O-])cc(F)c1 ZINC000414548266 380313139 /nfs/dbraw/zinc/31/31/39/380313139.db2.gz JVDWUKQSPYAWDC-UHFFFAOYSA-N -1 3 263.312 3.455 20 0 CGADHM CCc1cccc(F)c1CNCCCCCC(=O)[O-] ZINC000414674061 380365710 /nfs/dbraw/zinc/36/57/10/380365710.db2.gz DXPGXIPLKZNAGO-UHFFFAOYSA-N -1 3 267.344 3.123 20 0 CGADHM CC[C@@H](C)N(CC(=O)[O-])Cc1cc2cc(F)ccc2o1 ZINC000414681783 380371436 /nfs/dbraw/zinc/37/14/36/380371436.db2.gz MTTIZNYUDOZIPW-SNVBAGLBSA-N -1 3 279.311 3.257 20 0 CGADHM CCOc1c(Cl)cccc1CN1CC[C@](C)(C(=O)[O-])C1 ZINC000414647840 380351057 /nfs/dbraw/zinc/35/10/57/380351057.db2.gz AHDDKUCVUAFWBX-HNNXBMFYSA-N -1 3 297.782 3.035 20 0 CGADHM Cc1cc(C(=O)Nc2cccc(-n3cccn3)c2)ccc1[O-] ZINC000354428033 380434916 /nfs/dbraw/zinc/43/49/16/380434916.db2.gz VTONTRGQDPMPPC-UHFFFAOYSA-N -1 3 293.326 3.139 20 0 CGADHM O=C(Nc1ncccc1[O-])c1ccccc1N1CCCCC1 ZINC000354612776 380503601 /nfs/dbraw/zinc/50/36/01/380503601.db2.gz LMJMFLSOQAZYOT-UHFFFAOYSA-N -1 3 297.358 3.030 20 0 CGADHM Cc1cc(C(=O)N[C@@H]2CSc3ccccc32)ccc1[O-] ZINC000354732115 380542663 /nfs/dbraw/zinc/54/26/63/380542663.db2.gz PYMCUWFFJVUEDX-CYBMUJFWSA-N -1 3 285.368 3.277 20 0 CGADHM Cc1cccc(CN[C@H](C)CCCCC(=O)[O-])c1F ZINC000417546314 380635060 /nfs/dbraw/zinc/63/50/60/380635060.db2.gz MECVFCGLRPFERN-GFCCVEGCSA-N -1 3 267.344 3.257 20 0 CGADHM Cc1cc(F)c(CNC[C@H](C(=O)[O-])C(C)C)c(Cl)c1 ZINC000417539950 380635084 /nfs/dbraw/zinc/63/50/84/380635084.db2.gz WJIITRISJYAGGF-JTQLQIEISA-N -1 3 287.762 3.234 20 0 CGADHM CC(C)(CCNCc1ccc(Cl)o1)CCC(=O)[O-] ZINC000417567377 380640043 /nfs/dbraw/zinc/64/00/43/380640043.db2.gz OTAAJHVVDUPOOT-UHFFFAOYSA-N -1 3 273.760 3.304 20 0 CGADHM CC(C)(C)c1cnc(CN[C@@H]2CCC[C@@]2(C)C(=O)[O-])s1 ZINC000417585679 380645597 /nfs/dbraw/zinc/64/55/97/380645597.db2.gz ZSUYJTYRKGAVHF-MEBBXXQBSA-N -1 3 296.436 3.174 20 0 CGADHM CN(CCNCc1cccc([O-])c1Cl)c1ccccc1 ZINC000645145275 380594351 /nfs/dbraw/zinc/59/43/51/380594351.db2.gz KEVRKRMOFFNUAV-UHFFFAOYSA-N -1 3 290.794 3.272 20 0 CGADHM CSc1cccc(N(C)Cc2nc(C)ccc2[O-])c1 ZINC000355362427 380661423 /nfs/dbraw/zinc/66/14/23/380661423.db2.gz GVGDJSQJTKRHMO-UHFFFAOYSA-N -1 3 274.389 3.454 20 0 CGADHM O=C([O-])CC[C@@H]1CCCC[C@@H]1NCc1ccc(Cl)o1 ZINC000417619536 380654686 /nfs/dbraw/zinc/65/46/86/380654686.db2.gz FFRQHCOAZISRIS-JQWIXIFHSA-N -1 3 285.771 3.446 20 0 CGADHM CC[C@H](CCC(=O)[O-])NCc1nc2c(s1)C[C@@H](C)CC2 ZINC000417620254 380654742 /nfs/dbraw/zinc/65/47/42/380654742.db2.gz IUAOSRFKTAPMQC-WDEREUQCSA-N -1 3 296.436 3.001 20 0 CGADHM CCC[C@H](CCCCNCc1ccc(C)o1)C(=O)[O-] ZINC000417638984 380660484 /nfs/dbraw/zinc/66/04/84/380660484.db2.gz LCSYFMPPLJEUDQ-CYBMUJFWSA-N -1 3 267.369 3.349 20 0 CGADHM O=C([O-])NCC1(NCc2ccc(Cl)s2)CCCC1 ZINC000740611533 572448200 /nfs/dbraw/zinc/44/82/00/572448200.db2.gz CXUMUZSVCQXOIB-UHFFFAOYSA-N -1 3 288.800 3.072 20 0 CGADHM Cc1oc([C@H](C)N(C)CCCOC(C)C)cc1C(=O)[O-] ZINC000572424386 322336751 /nfs/dbraw/zinc/33/67/51/322336751.db2.gz FOICITVNLQSZFM-NSHDSACASA-N -1 3 283.368 3.094 20 0 CGADHM CC(=O)c1ccc(-c2nc3ccccc3c(=O)[n-]2)cc1F ZINC000357699146 381256254 /nfs/dbraw/zinc/25/62/54/381256254.db2.gz SBVGFBPBXAQVRQ-UHFFFAOYSA-N -1 3 282.274 3.344 20 0 CGADHM COc1ccc([O-])c(C(=O)N2CCC(C)(C3CC3)CC2)c1 ZINC000359480926 381349819 /nfs/dbraw/zinc/34/98/19/381349819.db2.gz MIHCMESGYZMTEZ-UHFFFAOYSA-N -1 3 289.375 3.053 20 0 CGADHM CC[C@H](c1ccc(F)cc1F)N1CCC[C@@H](C(=O)[O-])C1 ZINC000361506080 381780119 /nfs/dbraw/zinc/78/01/19/381780119.db2.gz BEOHDLXDHYERSP-QMTHXVAHSA-N -1 3 283.318 3.213 20 0 CGADHM COc1cccc(C(=O)N2CC[C@]3(CC[C@H](C)C3)C2)c1[O-] ZINC000335289172 208113955 /nfs/dbraw/zinc/11/39/55/208113955.db2.gz FCCCBBYZGVROMM-SJCJKPOMSA-N -1 3 289.375 3.053 20 0 CGADHM COc1ccc(C)cc1[N-]S(=O)(=O)C1=CCCCC1 ZINC000281111040 195108539 /nfs/dbraw/zinc/10/85/39/195108539.db2.gz HBGLSKFVJYKMSF-UHFFFAOYSA-N -1 3 281.377 3.203 20 0 CGADHM C[C@@H]1CCN(C(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000279553830 542378913 /nfs/dbraw/zinc/37/89/13/542378913.db2.gz OHEJJASRPHVTRN-LLVKDONJSA-N -1 3 255.317 3.027 20 0 CGADHM O=C(NC1CCSCC1)c1cc([O-])c2ccccc2c1 ZINC000279592523 542379598 /nfs/dbraw/zinc/37/95/98/542379598.db2.gz RMLYDQHRPBUKIZ-UHFFFAOYSA-N -1 3 287.384 3.171 20 0 CGADHM [O-]c1ccc(Cc2nc(-c3cccnc3)no2)c(Cl)c1 ZINC000350499084 219030497 /nfs/dbraw/zinc/03/04/97/219030497.db2.gz WOXNOAPITXUMKD-UHFFFAOYSA-N -1 3 287.706 3.081 20 0 CGADHM C[C@H]1Oc2ccccc2[C@@H]1NCc1cc([O-])cc(F)c1 ZINC000288715517 197150864 /nfs/dbraw/zinc/15/08/64/197150864.db2.gz ZNQWQZZOXHAKOX-QLJPJBMISA-N -1 3 273.307 3.143 20 0 CGADHM O=c1[n-]c(-c2ccccn2)nc2cc(C(F)(F)F)ccc21 ZINC000119832085 285194292 /nfs/dbraw/zinc/19/42/92/285194292.db2.gz UYHVPADGYPBIKY-UHFFFAOYSA-N -1 3 291.232 3.004 20 0 CGADHM CC1(CNC(=O)c2cc([O-])c3ccccc3c2)CCOCC1 ZINC000334490303 542457394 /nfs/dbraw/zinc/45/73/94/542457394.db2.gz IWUASYYKIYGBOG-UHFFFAOYSA-N -1 3 299.370 3.092 20 0 CGADHM O=C(c1cc([O-])c2ccccc2c1)N1CCC(F)(F)C1 ZINC000334599800 542458504 /nfs/dbraw/zinc/45/85/04/542458504.db2.gz WEUOCQZFZOLXNT-UHFFFAOYSA-N -1 3 277.270 3.027 20 0 CGADHM O=C(Nc1ccccc1[O-])[C@@H]1CC[C@H](C(F)(F)F)C1 ZINC000334359212 542456319 /nfs/dbraw/zinc/45/63/19/542456319.db2.gz VOQQISXQXIWDAX-BDAKNGLRSA-N -1 3 273.254 3.309 20 0 CGADHM Cc1cnccc1CNC(=O)c1cc([O-])c2ccccc2c1 ZINC000339518594 542489109 /nfs/dbraw/zinc/48/91/09/542489109.db2.gz MVPVOVOAESHZMT-UHFFFAOYSA-N -1 3 292.338 3.179 20 0 CGADHM Cc1cncc(CNC(=O)c2cc([O-])c3ccccc3c2)c1 ZINC000355317471 542566565 /nfs/dbraw/zinc/56/65/65/542566565.db2.gz CPEWSKITRHVWRB-UHFFFAOYSA-N -1 3 292.338 3.179 20 0 CGADHM O=c1[n-]c(-c2ccon2)nc2cc(C(F)(F)F)ccc12 ZINC000347089705 285399243 /nfs/dbraw/zinc/39/92/43/285399243.db2.gz DEEQLIHKSQMNIP-UHFFFAOYSA-N -1 3 281.193 3.009 20 0 CGADHM COc1cccc(C(=O)N[C@@H](C)[C@H](C)c2ccccc2)c1[O-] ZINC000436920158 533414588 /nfs/dbraw/zinc/41/45/88/533414588.db2.gz OBRCFWHTWFGNTM-STQMWFEESA-N -1 3 299.370 3.323 20 0 CGADHM COc1cccc(C(=O)N[C@H]2C[C@@H]2C2CCCCC2)c1[O-] ZINC000436918698 533418826 /nfs/dbraw/zinc/41/88/26/533418826.db2.gz IIDKOBAYKAXBCL-KGLIPLIRSA-N -1 3 289.375 3.099 20 0 CGADHM Cc1ccc(C(=O)N[C@H](C)Cc2ccc(O)cc2)c([O-])c1C ZINC000436612077 533589323 /nfs/dbraw/zinc/58/93/23/533589323.db2.gz ZLSFYNAXDAIQAJ-GFCCVEGCSA-N -1 3 299.370 3.076 20 0 CGADHM Cc1ccc(C(=O)N[C@H]2CCCO[C@H]2CC(C)C)c([O-])c1 ZINC000436562530 533595431 /nfs/dbraw/zinc/59/54/31/533595431.db2.gz JTJNBOVFDIAIFH-HOCLYGCPSA-N -1 3 291.391 3.024 20 0 CGADHM COc1cccc(CSc2n[n-]c(-c3ccccn3)n2)c1 ZINC000117115304 533535541 /nfs/dbraw/zinc/53/55/41/533535541.db2.gz HCXGDGIJMIDONH-UHFFFAOYSA-N -1 3 298.371 3.168 20 0 CGADHM COc1cccc(F)c1[C@@H](C)NC(=O)c1ccccc1[O-] ZINC000174481203 533569200 /nfs/dbraw/zinc/56/92/00/533569200.db2.gz VEOADSWOHHWTIV-SNVBAGLBSA-N -1 3 289.306 3.031 20 0 CGADHM O=C([O-])[C@H]1CN(C[C@H]2CCC(F)(F)C2)Cc2ccccc21 ZINC000384396429 542601381 /nfs/dbraw/zinc/60/13/81/542601381.db2.gz GHPHZLHPVPNHMX-FZMZJTMJSA-N -1 3 295.329 3.106 20 0 CGADHM C[C@H](c1ccc(C(=O)[O-])o1)N(C)CCC(C)(C)C ZINC000399688247 542621040 /nfs/dbraw/zinc/62/10/40/542621040.db2.gz FGNRCJCMVGXKJU-SNVBAGLBSA-N -1 3 253.342 3.407 20 0 CGADHM Cc1oc(C(=O)[O-])cc1CN(C)CCC(C)(C)C ZINC000399733708 542621219 /nfs/dbraw/zinc/62/12/19/542621219.db2.gz SLJMIZYRNHSOGM-UHFFFAOYSA-N -1 3 253.342 3.154 20 0 CGADHM CO[N-]C(=O)/C=C/c1sc2ccccc2c1Cl ZINC000048461960 392001612 /nfs/dbraw/zinc/00/16/12/392001612.db2.gz KEINBXXADVMQDB-VOTSOKGWSA-N -1 3 267.737 3.246 20 0 CGADHM Cc1cccc(C(=O)NCc2ccc(Cl)s2)c1[O-] ZINC000070211460 392178538 /nfs/dbraw/zinc/17/85/38/392178538.db2.gz KDTWHJQFYRWHNH-UHFFFAOYSA-N -1 3 281.764 3.346 20 0 CGADHM Cc1ccc(C(=O)N[C@@H]2CCCc3occc32)c([O-])c1 ZINC000097288018 392262393 /nfs/dbraw/zinc/26/23/93/392262393.db2.gz IKPAMVNZCZEGHB-CYBMUJFWSA-N -1 3 271.316 3.101 20 0 CGADHM O=C(NCCOC1CCCCC1)c1cc([O-])ccc1Cl ZINC000236612418 130961748 /nfs/dbraw/zinc/96/17/48/130961748.db2.gz CASNRGAWHVWCPG-UHFFFAOYSA-N -1 3 297.782 3.125 20 0 CGADHM COc1ccc(NC(=O)C[C@H]2CC[C@H](C)C2)c([O-])c1 ZINC000443559266 542667291 /nfs/dbraw/zinc/66/72/91/542667291.db2.gz NTBYSGVHPNTFOF-QWRGUYRKSA-N -1 3 263.337 3.166 20 0 CGADHM CCc1ccccc1CC(=O)Nc1ccc(OC)cc1[O-] ZINC000443557494 542666405 /nfs/dbraw/zinc/66/64/05/542666405.db2.gz JRJGPIIXSRIUAX-UHFFFAOYSA-N -1 3 285.343 3.144 20 0 CGADHM COc1ccc(NC(=O)CCO[C@@H](C)CC(C)C)c([O-])c1 ZINC000443565690 542666459 /nfs/dbraw/zinc/66/64/59/542666459.db2.gz HXYJTUHYDVYBOR-LBPRGKRZSA-N -1 3 295.379 3.181 20 0 CGADHM COc1ccc(NC(=O)C2C[C@@H](C)C[C@H](C)C2)c([O-])c1 ZINC000443556059 542666751 /nfs/dbraw/zinc/66/67/51/542666751.db2.gz DJXNDNCRPVFPGX-QWRGUYRKSA-N -1 3 277.364 3.412 20 0 CGADHM COC(=O)c1cnc(SC/C=C\c2ccccc2)[n-]1 ZINC000361995627 392383358 /nfs/dbraw/zinc/38/33/58/392383358.db2.gz GJDYQBLCHXHPLJ-YVMONPNESA-N -1 3 274.345 3.002 20 0 CGADHM CC[C@@H]1C[C@H]1CNC(=O)c1cc([O-])c2ccccc2c1 ZINC000452760699 542678897 /nfs/dbraw/zinc/67/88/97/542678897.db2.gz AQSLSCSLYRAELH-RISCZKNCSA-N -1 3 269.344 3.321 20 0 CGADHM O=C([O-])[C@@]12CCC[C@H]1CN(Cc1ccc(Cl)c(F)c1)C2 ZINC000263565831 131298499 /nfs/dbraw/zinc/29/84/99/131298499.db2.gz FSYTXPSFGYVHBA-XHDPSFHLSA-N -1 3 297.757 3.166 20 0 CGADHM CC[C@@H](CC(F)F)C(=O)Nc1ccc(OC)cc1[O-] ZINC000457731865 542690949 /nfs/dbraw/zinc/69/09/49/542690949.db2.gz KTLDWHWASJYMDT-QMMMGPOBSA-N -1 3 273.279 3.021 20 0 CGADHM CC(C)(C)c1nc(C(=O)Nc2ccccc2[O-])cs1 ZINC000263807941 131336035 /nfs/dbraw/zinc/33/60/35/131336035.db2.gz PYXWOWFEPIPKFX-UHFFFAOYSA-N -1 3 276.361 3.399 20 0 CGADHM COc1ncccc1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000471741884 542701925 /nfs/dbraw/zinc/70/19/25/542701925.db2.gz PRBSIPLOCSIJGT-UHFFFAOYSA-N -1 3 294.310 3.201 20 0 CGADHM CC(C)N(C(=O)c1cc([O-])c2ccccc2c1)[C@@H]1CCOC1 ZINC000292962880 392514884 /nfs/dbraw/zinc/51/48/84/392514884.db2.gz WDAAULZQFMDVIZ-OAHLLOKOSA-N -1 3 299.370 3.185 20 0 CGADHM C[C@H](c1ccccc1)[C@H](C)NC(=O)c1cccc([O-])c1 ZINC000182547718 392746603 /nfs/dbraw/zinc/74/66/03/392746603.db2.gz YEAGKVSUUUZHQB-STQMWFEESA-N -1 3 269.344 3.314 20 0 CGADHM Cc1ccc2[nH]c3c(c2c1)C[C@@H]([N-]C(=O)C(F)(F)F)CC3 ZINC000374896443 392716036 /nfs/dbraw/zinc/71/60/36/392716036.db2.gz KVWVVVITNKLSOC-VIFPVBQESA-N -1 3 296.292 3.012 20 0 CGADHM CC[C@@H]1[C@H](C)CCN1C(=O)Cc1ccc([O-])cc1Cl ZINC000187442476 392789173 /nfs/dbraw/zinc/78/91/73/392789173.db2.gz JLGJEPVKWHNUFZ-QMTHXVAHSA-N -1 3 281.783 3.235 20 0 CGADHM O=C(NCCCn1ccc2ccccc21)c1cccc([O-])c1 ZINC000192720246 392859267 /nfs/dbraw/zinc/85/92/67/392859267.db2.gz BIYDOGDNWRRIMK-UHFFFAOYSA-N -1 3 294.354 3.167 20 0 CGADHM CC(C)=CCNC(=O)c1cc([O-])c2ccccc2c1 ZINC000527183437 542741738 /nfs/dbraw/zinc/74/17/38/542741738.db2.gz BWJAOWXQSSRRQL-UHFFFAOYSA-N -1 3 255.317 3.241 20 0 CGADHM Cc1cccc(C(=O)N2CCc3ccc(F)cc32)c1[O-] ZINC000194895768 392945813 /nfs/dbraw/zinc/94/58/13/392945813.db2.gz DGYDCJZLMKZRSR-UHFFFAOYSA-N -1 3 271.291 3.043 20 0 CGADHM CCc1ccc(C(=O)N(C)[C@@H](C)C(C)(C)C)c([O-])c1 ZINC000526051716 392953995 /nfs/dbraw/zinc/95/39/95/392953995.db2.gz PPNHFISKSHXZRU-NSHDSACASA-N -1 3 263.381 3.461 20 0 CGADHM COc1ccc([O-])c(C(=O)NCc2cc3ccccc3o2)c1 ZINC000195624735 392971271 /nfs/dbraw/zinc/97/12/71/392971271.db2.gz BDTWKOLRCXNSFM-UHFFFAOYSA-N -1 3 297.310 3.077 20 0 CGADHM Cc1ccsc1CNC(=O)c1cc([O-])ccc1Cl ZINC000235801385 393029664 /nfs/dbraw/zinc/02/96/64/393029664.db2.gz QIOZZFNXAIHCNA-UHFFFAOYSA-N -1 3 281.764 3.346 20 0 CGADHM C[C@@H]1C[C@@H](C)N1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000548098687 393175108 /nfs/dbraw/zinc/17/51/08/393175108.db2.gz XCNRPTWBAJLVSR-NXEZZACHSA-N -1 3 283.331 3.064 20 0 CGADHM Cc1nc(CNCc2cc([O-])cc(F)c2)nc2ccccc12 ZINC000547436282 393115833 /nfs/dbraw/zinc/11/58/33/393115833.db2.gz CDCXHRPILVREMZ-UHFFFAOYSA-N -1 3 297.333 3.073 20 0 CGADHM [O-]c1cc(F)cc(CN2CCC[C@@H]2c2ccccn2)c1 ZINC000547448891 393117411 /nfs/dbraw/zinc/11/74/11/393117411.db2.gz IKVWYAGAHUKPBN-MRXNPFEDSA-N -1 3 272.323 3.263 20 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DLRBYMUARSJGMF-UHFFFAOYSA-N -1 3 268.272 3.094 20 0 CGADHM Cc1cccc(N(C)C(=O)c2c[n-]nc2-c2ccncc2)c1 ZINC000471883503 393318230 /nfs/dbraw/zinc/31/82/30/393318230.db2.gz ZWISOBRHPMTISM-UHFFFAOYSA-N -1 3 292.342 3.057 20 0 CGADHM Cc1cccc(N(C)C(=O)c2cn[n-]c2-c2ccncc2)c1 ZINC000471883503 393318234 /nfs/dbraw/zinc/31/82/34/393318234.db2.gz ZWISOBRHPMTISM-UHFFFAOYSA-N -1 3 292.342 3.057 20 0 CGADHM CCc1cccc(C(=O)N2CCC(C3CC3)CC2)c1[O-] ZINC000646770525 393322713 /nfs/dbraw/zinc/32/27/13/393322713.db2.gz WMPJGGIZZVCYOQ-UHFFFAOYSA-N -1 3 273.376 3.217 20 0 CGADHM C[C@@H](CNCc1cccc([O-])c1Cl)CC(F)F ZINC000647226963 393398508 /nfs/dbraw/zinc/39/85/08/393398508.db2.gz GZESPIHEKMNNMV-MRVPVSSYSA-N -1 3 263.715 3.427 20 0 CGADHM CO[C@H](CS(=O)(=O)[N-]c1cccc(C(C)C)c1)C(C)C ZINC000647122927 393343425 /nfs/dbraw/zinc/34/34/25/393343425.db2.gz DDDUCLBOEPNIPA-OAHLLOKOSA-N -1 3 299.436 3.223 20 0 CGADHM C[C@@H]1[C@H](C(=O)Nc2ccccc2[O-])CCN1c1ccccc1 ZINC000356153194 393362191 /nfs/dbraw/zinc/36/21/91/393362191.db2.gz SRCUJRROQFBATJ-UKRRQHHQSA-N -1 3 296.370 3.246 20 0 CGADHM CC[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000475522076 393406473 /nfs/dbraw/zinc/40/64/73/393406473.db2.gz ATEAOGFUAZDYQL-BXUZGUMPSA-N -1 3 299.378 3.022 20 0 CGADHM CC[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000475522076 393406476 /nfs/dbraw/zinc/40/64/76/393406476.db2.gz ATEAOGFUAZDYQL-BXUZGUMPSA-N -1 3 299.378 3.022 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@@H]1CCCC[C@H]1C1CC1 ZINC000649228620 393376387 /nfs/dbraw/zinc/37/63/87/393376387.db2.gz WLTKTZQNBAAZKW-UONOGXRCSA-N -1 3 289.423 3.418 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@@H]1CCCC[C@@H]1C ZINC000649228238 393376487 /nfs/dbraw/zinc/37/64/87/393376487.db2.gz FTUSEIMSCGMRJZ-CMPLNLGQSA-N -1 3 263.385 3.028 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)c1ccc(F)cc1Cl ZINC000649233852 393380444 /nfs/dbraw/zinc/38/04/44/393380444.db2.gz HMMRDCWMOREWJO-UHFFFAOYSA-N -1 3 295.745 3.308 20 0 CGADHM CCc1cc(N2CC[C@@H](C(=O)[O-])[C@H](C)C2)c2ccccc2n1 ZINC000649404602 393413076 /nfs/dbraw/zinc/41/30/76/393413076.db2.gz PEZLKSQGPFFVOE-TZMCWYRMSA-N -1 3 298.386 3.344 20 0 CGADHM CC[C@H](NC(=O)c1ccc(C(C)=O)c([O-])c1)[C@H]1CC1(C)C ZINC000420150371 393431348 /nfs/dbraw/zinc/43/13/48/393431348.db2.gz KOSAFKAKMBXELT-KGLIPLIRSA-N -1 3 289.375 3.149 20 0 CGADHM Cc1nc(CC2CC2)oc1C(=O)Nc1cc(F)ccc1[O-] ZINC000356397349 393435032 /nfs/dbraw/zinc/43/50/32/393435032.db2.gz RBKRLKBLRAEAKM-UHFFFAOYSA-N -1 3 290.294 3.033 20 0 CGADHM CC1CC([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)C1 ZINC000429842070 393506101 /nfs/dbraw/zinc/50/61/01/393506101.db2.gz SISIGEWUPLGVNP-UHFFFAOYSA-N -1 3 294.203 3.070 20 0 CGADHM O=C(CCCC(F)(F)F)Nc1ccc([O-])cc1F ZINC000360836853 393595338 /nfs/dbraw/zinc/59/53/38/393595338.db2.gz UHJQENZJCMCRAK-UHFFFAOYSA-N -1 3 265.206 3.202 20 0 CGADHM O=C(Nc1cccc(C2CCC2)c1)c1ccc2n[n-]nc2c1 ZINC000360888752 393608148 /nfs/dbraw/zinc/60/81/48/393608148.db2.gz OSJIJUGUUPSYBA-UHFFFAOYSA-N -1 3 292.342 3.478 20 0 CGADHM O=S(=O)([N-][C@@H]1CC[C@H]2CCC[C@@H]2C1)c1ccccc1F ZINC000360889693 393608386 /nfs/dbraw/zinc/60/83/86/393608386.db2.gz UQXXXADIERALRG-JHJVBQTASA-N -1 3 297.395 3.073 20 0 CGADHM CC[C@H](C)C[C@@H](C)[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000360887230 393607075 /nfs/dbraw/zinc/60/70/75/393607075.db2.gz IMKJUAGHRPEBNM-VHSXEESVSA-N -1 3 291.363 3.068 20 0 CGADHM Cc1ccc([O-])c(CN2CCC[C@@H](C(F)(F)F)[C@@H]2C)n1 ZINC000361141376 393682997 /nfs/dbraw/zinc/68/29/97/393682997.db2.gz NVJXJTLZIKAJRB-WDEREUQCSA-N -1 3 288.313 3.258 20 0 CGADHM COc1cc(C(=O)N[C@@H]2CCC(C)(C)C[C@H]2C)ccc1[O-] ZINC000443297683 393750902 /nfs/dbraw/zinc/75/09/02/393750902.db2.gz RDNHEBKTEZGWFH-DGCLKSJQSA-N -1 3 291.391 3.345 20 0 CGADHM CCCCN(C)S(=O)(=O)[N-]c1cccc2ccsc21 ZINC000443451869 393758266 /nfs/dbraw/zinc/75/82/66/393758266.db2.gz GNLOGQZQJUJPNG-UHFFFAOYSA-N -1 3 298.433 3.290 20 0 CGADHM COc1ccc(/C=C\C(=O)Nc2cccc([O-])c2F)cc1 ZINC000492296946 393715389 /nfs/dbraw/zinc/71/53/89/393715389.db2.gz HBXYKVPPADUKFE-YFHOEESVSA-N -1 3 287.290 3.192 20 0 CGADHM Cc1cc(C(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)ccc1[O-] ZINC000500641548 393835192 /nfs/dbraw/zinc/83/51/92/393835192.db2.gz JQTFEDXHROODFH-KCQAQPDRSA-N -1 3 273.376 3.399 20 0 CGADHM Cc1cc(C(=O)NCCc2cc3ccccc3o2)ccc1[O-] ZINC000498544396 393782794 /nfs/dbraw/zinc/78/27/94/393782794.db2.gz PRYSCQANWCMTCX-UHFFFAOYSA-N -1 3 295.338 3.419 20 0 CGADHM Cc1ncccc1NC(=O)c1cn[n-]c1-c1ccsc1 ZINC000444108097 393786826 /nfs/dbraw/zinc/78/68/26/393786826.db2.gz XYPGXKCSVAVXNA-UHFFFAOYSA-N -1 3 284.344 3.094 20 0 CGADHM Cc1ncccc1NC(=O)c1c[n-]nc1-c1ccsc1 ZINC000444108097 393786830 /nfs/dbraw/zinc/78/68/30/393786830.db2.gz XYPGXKCSVAVXNA-UHFFFAOYSA-N -1 3 284.344 3.094 20 0 CGADHM [O-]c1cccc(CN2CC[C@@H]3C[C@@H](O)CC[C@@H]3C2)c1Cl ZINC000449552823 393898440 /nfs/dbraw/zinc/89/84/40/393898440.db2.gz KEMSLKRBNWIGHZ-BZPMIXESSA-N -1 3 295.810 3.029 20 0 CGADHM C[C@H](c1ccccc1)N(C(=O)Cc1cncc([O-])c1)C1CC1 ZINC000667453223 542871070 /nfs/dbraw/zinc/87/10/70/542871070.db2.gz DYZXSSFNHJJNQX-CYBMUJFWSA-N -1 3 296.370 3.082 20 0 CGADHM C[C@@H]1CC[C@@H](NC(=O)Cc2ccc([O-])c(F)c2)C[C@@H]1C ZINC000450580503 394023410 /nfs/dbraw/zinc/02/34/10/394023410.db2.gz CCOKXUOMVHCKAS-NTZNESFSSA-N -1 3 279.355 3.015 20 0 CGADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@H]1CC1(F)F ZINC000450084162 393974377 /nfs/dbraw/zinc/97/43/77/393974377.db2.gz HWDLCKWAWNZXGQ-SSDOTTSWSA-N -1 3 281.180 3.005 20 0 CGADHM COc1ccc(C(=O)N2CCC[C@]2(C)CC(C)C)c([O-])c1 ZINC000452991572 394142446 /nfs/dbraw/zinc/14/24/46/394142446.db2.gz XTMHWTIHSMWBFX-QGZVFWFLSA-N -1 3 291.391 3.442 20 0 CGADHM COC[C@@H]1CCCCN1C(=O)c1ccc(C(C)C)cc1[O-] ZINC000456976303 394303767 /nfs/dbraw/zinc/30/37/67/394303767.db2.gz YVBNWQVFNMLOTG-AWEZNQCLSA-N -1 3 291.391 3.157 20 0 CGADHM CSc1ccc([O-])c(C(=O)N2CCC[C@H]2C2CC2)c1 ZINC000668186692 542984862 /nfs/dbraw/zinc/98/48/62/542984862.db2.gz OWKUDYXLSPWXBJ-ZDUSSCGKSA-N -1 3 277.389 3.129 20 0 CGADHM C[C@H]1CC[C@@H](C(=O)[O-])CN1Cc1ccc(Cl)cc1 ZINC000263452262 300032059 /nfs/dbraw/zinc/03/20/59/300032059.db2.gz AFSAVMPHNOEOIB-CMPLNLGQSA-N -1 3 267.756 3.025 20 0 CGADHM CC(=O)c1ccc(C(=O)N2CCCC[C@H]2C(C)C)cc1[O-] ZINC000668864477 543073252 /nfs/dbraw/zinc/07/32/52/543073252.db2.gz HXCBESHTCGDLOE-HNNXBMFYSA-N -1 3 289.375 3.246 20 0 CGADHM C[C@H](OCC1CC1)C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000669746813 543124126 /nfs/dbraw/zinc/12/41/26/543124126.db2.gz AJRSGFBGASTSMA-NSHDSACASA-N -1 3 291.391 3.443 20 0 CGADHM CC(C)Cc1nnc([N-]C(=O)c2occ3c2CCC3)s1 ZINC000671664943 543176010 /nfs/dbraw/zinc/17/60/10/543176010.db2.gz TWHPGTXSJBMJJI-UHFFFAOYSA-N -1 3 291.376 3.071 20 0 CGADHM Cc1cccc(Oc2ccc(NC(=O)c3cnn[n-]3)cc2)c1 ZINC000047816934 397635004 /nfs/dbraw/zinc/63/50/04/397635004.db2.gz TXOHDWKMVQGTSA-UHFFFAOYSA-N -1 3 294.314 3.158 20 0 CGADHM Cc1cccc(Oc2ccc(NC(=O)c3c[n-]nn3)cc2)c1 ZINC000047816934 397635007 /nfs/dbraw/zinc/63/50/07/397635007.db2.gz TXOHDWKMVQGTSA-UHFFFAOYSA-N -1 3 294.314 3.158 20 0 CGADHM Cc1cccc(Oc2ccc(NC(=O)c3cn[n-]n3)cc2)c1 ZINC000047816934 397635010 /nfs/dbraw/zinc/63/50/10/397635010.db2.gz TXOHDWKMVQGTSA-UHFFFAOYSA-N -1 3 294.314 3.158 20 0 CGADHM CC(C)(C)OCCCSc1n[n-]c(-c2ccccn2)n1 ZINC000674925485 543307500 /nfs/dbraw/zinc/30/75/00/543307500.db2.gz CAYWFHGGGSERHG-UHFFFAOYSA-N -1 3 292.408 3.164 20 0 CGADHM CCc1cc(=O)[n-]c(-c2ccc(N3C[C@H](C)C[C@H]3C)nc2)n1 ZINC000674931975 543307697 /nfs/dbraw/zinc/30/76/97/543307697.db2.gz BXRXYGGCXNHQJP-VXGBXAGGSA-N -1 3 298.390 3.041 20 0 CGADHM COC(C)(C)CN(C)C(=O)c1ccc(C(C)C)cc1[O-] ZINC000675221229 543322470 /nfs/dbraw/zinc/32/24/70/543322470.db2.gz KTFIJZUNDULFOL-UHFFFAOYSA-N -1 3 279.380 3.013 20 0 CGADHM CC(C)c1ccc(C(=O)N[C@@H](C)C[C@H]2CCOC2)c([O-])c1 ZINC000675416091 543338208 /nfs/dbraw/zinc/33/82/08/543338208.db2.gz NQDJTKPGYJWUNV-QWHCGFSZSA-N -1 3 291.391 3.061 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CCSC[C@@H]2C2CCC2)c1 ZINC000416101904 292163458 /nfs/dbraw/zinc/16/34/58/292163458.db2.gz BHGNQGOVZFFHTD-CQSZACIVSA-N -1 3 291.416 3.058 20 0 CGADHM Cc1noc(C(F)F)c1C(=O)Nc1ccc(C)cc1[O-] ZINC000677502759 543451201 /nfs/dbraw/zinc/45/12/01/543451201.db2.gz QUPFOWDEIDDSPA-UHFFFAOYSA-N -1 3 282.246 3.187 20 0 CGADHM CCC[C@@H]1CCc2nc([N-]C(=O)c3cnco3)sc2C1 ZINC000677529680 543453809 /nfs/dbraw/zinc/45/38/09/543453809.db2.gz VYCHSZMOOQXBQC-SECBINFHSA-N -1 3 291.376 3.288 20 0 CGADHM COc1cc(C(=O)N2CC(C)(C)[C@H]3CCC[C@@H]32)ccc1[O-] ZINC000294693377 286192729 /nfs/dbraw/zinc/19/27/29/286192729.db2.gz JYFFACFNVWUCGH-STQMWFEESA-N -1 3 289.375 3.052 20 0 CGADHM CS[C@@H]1CCCCN(C(=O)c2cc(C)ccc2[O-])C1 ZINC000154258385 286691072 /nfs/dbraw/zinc/69/10/72/286691072.db2.gz CNUFCCYICZSSHR-GFCCVEGCSA-N -1 3 279.405 3.058 20 0 CGADHM Cc1ccc(-c2nc([C@H]3Cc4ccccc43)no2)c([O-])c1 ZINC000086492387 287082980 /nfs/dbraw/zinc/08/29/80/287082980.db2.gz FYYRQWLZTHJOCL-AWEZNQCLSA-N -1 3 278.311 3.439 20 0 CGADHM C[C@@H](c1ccc(F)cc1F)N1CCC[C@H](CC(=O)[O-])C1 ZINC000086757184 287084144 /nfs/dbraw/zinc/08/41/44/287084144.db2.gz BTONWKVYBZIYFP-WDEREUQCSA-N -1 3 283.318 3.213 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])c1cc(Cl)ccn1 ZINC000067145370 165039343 /nfs/dbraw/zinc/03/93/43/165039343.db2.gz VIDJGGNRPPLXNH-UHFFFAOYSA-N -1 3 283.114 3.346 20 0 CGADHM Cc1ccc(NC(=O)Cc2cccc(F)c2F)c([O-])c1 ZINC000085208507 165179088 /nfs/dbraw/zinc/17/90/88/165179088.db2.gz MYYDAYZVHQUPQR-UHFFFAOYSA-N -1 3 277.270 3.160 20 0 CGADHM Cc1ccc(NC(=O)C2=Cc3cc(F)ccc3OC2)c([O-])c1 ZINC000090071033 287099606 /nfs/dbraw/zinc/09/96/06/287099606.db2.gz KKSNFFMCIJIJFY-UHFFFAOYSA-N -1 3 299.301 3.254 20 0 CGADHM CSc1ccccc1NCc1nc(C)ccc1[O-] ZINC000091993832 165277791 /nfs/dbraw/zinc/27/77/91/165277791.db2.gz PMWAIMSTUKUVOC-UHFFFAOYSA-N -1 3 260.362 3.430 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2C[C@H](C)CC[C@@H]2C)c1 ZINC000091989952 287110190 /nfs/dbraw/zinc/11/01/90/287110190.db2.gz FVTXUKUGMJEGRR-NEPJUHHUSA-N -1 3 261.365 3.215 20 0 CGADHM C[C@@H](c1cc(Cl)ccc1Cl)N(C)CCC(=O)[O-] ZINC000083662793 287129245 /nfs/dbraw/zinc/12/92/45/287129245.db2.gz UGTDPRXZQZSNRK-QMMMGPOBSA-N -1 3 276.163 3.461 20 0 CGADHM CCN(Cc1ccccc1C)C(=O)c1ccc(OC)cc1[O-] ZINC000124426117 287233289 /nfs/dbraw/zinc/23/32/89/287233289.db2.gz AGMKXZCFBRUUSU-UHFFFAOYSA-N -1 3 299.370 3.372 20 0 CGADHM Cc1ccc(C(=O)Nc2cc(C)ccc2F)c([O-])c1 ZINC000020363085 171162333 /nfs/dbraw/zinc/16/23/33/171162333.db2.gz OSIMPCUHDGQFHT-UHFFFAOYSA-N -1 3 259.280 3.400 20 0 CGADHM Cc1ccc(NC(=O)c2cc(C)ccc2[O-])c(F)c1 ZINC000020363079 171162602 /nfs/dbraw/zinc/16/26/02/171162602.db2.gz XRUIPGQKOKTIIR-UHFFFAOYSA-N -1 3 259.280 3.400 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CCC[C@@H]3CCCC[C@@H]32)c1 ZINC000035219100 172059848 /nfs/dbraw/zinc/05/98/48/172059848.db2.gz IUMMCYFACDVYDF-ZFWWWQNUSA-N -1 3 273.376 3.495 20 0 CGADHM CC(C)C[C@@H](NCc1ccc(F)cc1Cl)C(=O)[O-] ZINC000043443078 175046980 /nfs/dbraw/zinc/04/69/80/175046980.db2.gz CMPUXXOQMUCTBX-GFCCVEGCSA-N -1 3 273.735 3.068 20 0 CGADHM O=C(Nc1cccc([O-])c1F)c1cc(F)cc(F)c1 ZINC000129436685 287331733 /nfs/dbraw/zinc/33/17/33/287331733.db2.gz GDUOTRLARHLWKZ-UHFFFAOYSA-N -1 3 267.206 3.062 20 0 CGADHM Cc1ccc(O[C@@H](C)C(=O)Nc2cccc([O-])c2F)cc1 ZINC000129653697 287337071 /nfs/dbraw/zinc/33/70/71/287337071.db2.gz OVMFNNAVOZHMNK-NSHDSACASA-N -1 3 289.306 3.246 20 0 CGADHM CC1(C)C[C@@H]([N-]c2nc(-c3ccccc3)no2)C(C)(C)O1 ZINC000679191115 543598361 /nfs/dbraw/zinc/59/83/61/543598361.db2.gz RADMNWCZCCRFAB-GFCCVEGCSA-N -1 3 287.363 3.495 20 0 CGADHM CCS[C@@H](C(=O)Nc1cccc([O-])c1F)C(C)C ZINC000129735454 287338029 /nfs/dbraw/zinc/33/80/29/287338029.db2.gz ZKVAAJMMVKCPCC-GFCCVEGCSA-N -1 3 271.357 3.248 20 0 CGADHM COc1cccc(Cl)c1C(=O)Nc1cccc([O-])c1F ZINC000129754583 287338583 /nfs/dbraw/zinc/33/85/83/287338583.db2.gz XVFVRRJQSPGNSS-UHFFFAOYSA-N -1 3 295.697 3.446 20 0 CGADHM C[C@H]1CCN(C(=O)c2cc3c(cc2[O-])CCCC3)C[C@@H]1F ZINC000679249793 543607346 /nfs/dbraw/zinc/60/73/46/543607346.db2.gz DUOBDRBQJPMZQP-NHYWBVRUSA-N -1 3 291.366 3.091 20 0 CGADHM Cc1cn(-c2ccccc2)nc1NC(=O)c1cccc([O-])c1 ZINC000679637151 543652201 /nfs/dbraw/zinc/65/22/01/543652201.db2.gz KNBIMSQGTMVIKN-UHFFFAOYSA-N -1 3 293.326 3.139 20 0 CGADHM C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)c1cccc([O-])c1 ZINC000679649094 543653195 /nfs/dbraw/zinc/65/31/95/543653195.db2.gz QNNTVEQUIHARCD-KOLCDFICSA-N -1 3 287.281 3.195 20 0 CGADHM O=C([N-]c1cnoc1)c1ccc(-c2ccccc2)o1 ZINC000680029570 543677353 /nfs/dbraw/zinc/67/73/53/543677353.db2.gz KVAAGVPTLVKMRX-UHFFFAOYSA-N -1 3 254.245 3.187 20 0 CGADHM COc1cccc(C(=O)Nc2ccc3ncccc3c2)c1[O-] ZINC000130476505 287356669 /nfs/dbraw/zinc/35/66/69/287356669.db2.gz UXSWZRZBMGZUBY-UHFFFAOYSA-N -1 3 294.310 3.201 20 0 CGADHM Cc1cc(S(=O)(=O)[N-]C[C@@H](C)C2CC2)sc1Cl ZINC000682724239 543863077 /nfs/dbraw/zinc/86/30/77/543863077.db2.gz USRHMRKYDDUASC-MRVPVSSYSA-N -1 3 293.841 3.034 20 0 CGADHM COc1ccc2[nH]c(NC(=O)c3cc(C)ccc3[O-])cc2c1 ZINC000683359156 543911423 /nfs/dbraw/zinc/91/14/23/543911423.db2.gz KXBPUBFHKUBOBR-UHFFFAOYSA-N -1 3 296.326 3.443 20 0 CGADHM O=C([O-])[C@@H](NCC1CCCCC1)c1cc(F)ccc1F ZINC000683174491 543900752 /nfs/dbraw/zinc/90/07/52/543900752.db2.gz SVEPIRZIVDJLDG-AWEZNQCLSA-N -1 3 283.318 3.260 20 0 CGADHM Cc1onc(-c2ccccc2)c1C(=O)[N-]c1ccncc1F ZINC000132131621 287397874 /nfs/dbraw/zinc/39/78/74/287397874.db2.gz LIRLRIDHFPJUNU-UHFFFAOYSA-N -1 3 297.289 3.436 20 0 CGADHM Cc1cc(C)c2cc(C(=O)[N-]c3nncs3)sc2n1 ZINC000685545067 544082978 /nfs/dbraw/zinc/08/29/78/544082978.db2.gz GEBAVOSRIPYOLY-UHFFFAOYSA-N -1 3 290.373 3.017 20 0 CGADHM COc1ccc(CCCN(C)C(=O)c2ccccc2[O-])cc1 ZINC000133099447 287416609 /nfs/dbraw/zinc/41/66/09/287416609.db2.gz NVBSKOCRLIOVJX-UHFFFAOYSA-N -1 3 299.370 3.106 20 0 CGADHM Cc1oc(CN(C)[C@H]2C[C@H]2c2ccccc2)cc1C(=O)[O-] ZINC000652441394 418968199 /nfs/dbraw/zinc/96/81/99/418968199.db2.gz JRVHKHRIIFMZKS-HOTGVXAUSA-N -1 3 285.343 3.274 20 0 CGADHM CC(C)[C@@H](O)[C@@H]([N-]c1nnc(C2CC2)o1)c1ccccc1 ZINC000664531455 418973053 /nfs/dbraw/zinc/97/30/53/418973053.db2.gz LCYKMTOHVCPSLO-UONOGXRCSA-N -1 3 287.363 3.117 20 0 CGADHM C[C@@H](c1ccc(C(=O)[O-])o1)N(C)CCOc1ccccc1 ZINC000652372268 418958024 /nfs/dbraw/zinc/95/80/24/418958024.db2.gz YFXNENGOPHLKFV-LBPRGKRZSA-N -1 3 289.331 3.050 20 0 CGADHM C[C@H]1CC[C@@H](CC(=O)Nc2cc(F)ccc2[O-])C1 ZINC000150993394 287504434 /nfs/dbraw/zinc/50/44/34/287504434.db2.gz HTTZHIWCDYCPJU-VHSXEESVSA-N -1 3 251.301 3.296 20 0 CGADHM CC(=O)CC(C)(C)CC(=O)Nc1c([O-])cccc1Cl ZINC000655110350 419022543 /nfs/dbraw/zinc/02/25/43/419022543.db2.gz MTVNRTYVAWINLX-UHFFFAOYSA-N -1 3 283.755 3.380 20 0 CGADHM CC(C)c1ccc(C(=O)N[C@H](C)Cc2ccccn2)c([O-])c1 ZINC000655309272 419037794 /nfs/dbraw/zinc/03/77/94/419037794.db2.gz OSMNGPFGEMMUNZ-CYBMUJFWSA-N -1 3 298.386 3.272 20 0 CGADHM O=C(c1cccc2[n-]nnc21)N1CCC[C@@H]1CC1CCCC1 ZINC000655363014 419043588 /nfs/dbraw/zinc/04/35/88/419043588.db2.gz JNCHAKCALFBVRH-CYBMUJFWSA-N -1 3 298.390 3.143 20 0 CGADHM O=C(c1cccc2nn[n-]c21)N1CCC[C@@H]1CC1CCCC1 ZINC000655363014 419043592 /nfs/dbraw/zinc/04/35/92/419043592.db2.gz JNCHAKCALFBVRH-CYBMUJFWSA-N -1 3 298.390 3.143 20 0 CGADHM O=C(c1cccc2n[n-]nc21)N1CCC[C@@H]1CC1CCCC1 ZINC000655363014 419043597 /nfs/dbraw/zinc/04/35/97/419043597.db2.gz JNCHAKCALFBVRH-CYBMUJFWSA-N -1 3 298.390 3.143 20 0 CGADHM COc1ccc2c(c1)[C@@H](C(=O)Nc1ccccc1[O-])CCC2 ZINC000654565963 418986261 /nfs/dbraw/zinc/98/62/61/418986261.db2.gz KUWPZFKXDSKOGL-AWEZNQCLSA-N -1 3 297.354 3.459 20 0 CGADHM CC[C@@H](CC(F)F)CN1CCc2c(cccc2C(=O)[O-])C1 ZINC000659792331 418991149 /nfs/dbraw/zinc/99/11/49/418991149.db2.gz ZXJFLBQLJTYWNY-NSHDSACASA-N -1 3 297.345 3.424 20 0 CGADHM CC(C)=CCCN1CCc2ccc(C(=O)[O-])cc2C1 ZINC000659790290 418991680 /nfs/dbraw/zinc/99/16/80/418991680.db2.gz YXFPYPGVVMDKKM-UHFFFAOYSA-N -1 3 259.349 3.099 20 0 CGADHM COc1cccc(CN(CC(=O)[O-])C2CCCC2)c1Cl ZINC000659791678 418992188 /nfs/dbraw/zinc/99/21/88/418992188.db2.gz ZCSSDBYEDYYWCE-UHFFFAOYSA-N -1 3 297.782 3.178 20 0 CGADHM O=C([O-])c1csc(CN2CCCC[C@H]2CC2CCC2)n1 ZINC000659804172 418996690 /nfs/dbraw/zinc/99/66/90/418996690.db2.gz UYXXIAXQKOMZAZ-LBPRGKRZSA-N -1 3 294.420 3.386 20 0 CGADHM CN(CC1=CCSC1)[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000659805699 418997030 /nfs/dbraw/zinc/99/70/30/418997030.db2.gz XBAHBGASFVQOJG-ZDUSSCGKSA-N -1 3 297.807 3.071 20 0 CGADHM CN(CC1=CCSC1)Cc1ccc(C(=O)[O-])c(Cl)c1 ZINC000659805087 418997229 /nfs/dbraw/zinc/99/72/29/418997229.db2.gz LEIJYFGCWAWTHT-UHFFFAOYSA-N -1 3 297.807 3.143 20 0 CGADHM Cc1cc(C)c2c(c1)N(C(=O)c1ccc([O-])c(C)c1)CCO2 ZINC000652873313 418997567 /nfs/dbraw/zinc/99/75/67/418997567.db2.gz OOJITZDQFJYTAQ-UHFFFAOYSA-N -1 3 297.354 3.357 20 0 CGADHM CC(C)c1ccc(C(=O)N2CC[C@]3(CC3(F)F)C2)c([O-])c1 ZINC000653004556 419009698 /nfs/dbraw/zinc/00/96/98/419009698.db2.gz SZGQDHADNTZEFC-HNNXBMFYSA-N -1 3 295.329 3.387 20 0 CGADHM CCCC(C)(C)C(=O)Nc1nnc(-c2ccc(C)o2)[n-]1 ZINC000653022678 419011568 /nfs/dbraw/zinc/01/15/68/419011568.db2.gz QVOVQDXABCWLOL-UHFFFAOYSA-N -1 3 276.340 3.138 20 0 CGADHM CCCC(C)(C)C(=O)Nc1nc(-c2ccc(C)o2)n[n-]1 ZINC000653022678 419011570 /nfs/dbraw/zinc/01/15/70/419011570.db2.gz QVOVQDXABCWLOL-UHFFFAOYSA-N -1 3 276.340 3.138 20 0 CGADHM CCCC(C)(C)C(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC000653022678 419011573 /nfs/dbraw/zinc/01/15/73/419011573.db2.gz QVOVQDXABCWLOL-UHFFFAOYSA-N -1 3 276.340 3.138 20 0 CGADHM Cc1ccccc1NC(=O)NCc1ccc([O-])c(F)c1 ZINC000151226187 287509566 /nfs/dbraw/zinc/50/95/66/287509566.db2.gz JJRJMEFIJCADHY-UHFFFAOYSA-N -1 3 274.295 3.161 20 0 CGADHM CC[C@@H](NCc1cccc([O-])c1Cl)[C@H]1CCCCO1 ZINC000655855651 419123417 /nfs/dbraw/zinc/12/34/17/419123417.db2.gz FUCQKQNJKBGIRO-TZMCWYRMSA-N -1 3 283.799 3.483 20 0 CGADHM CSc1ccc([O-])c(C(=O)N2CCCC[C@H]2C)c1 ZINC000665170474 419070191 /nfs/dbraw/zinc/07/01/91/419070191.db2.gz VBQLWTVQPCVWKA-SNVBAGLBSA-N -1 3 265.378 3.129 20 0 CGADHM Cc1cc(C)c2[n-]cc(C(=O)N3CC[C@@H]3C(C)C)c(=O)c2c1 ZINC000665545660 419136158 /nfs/dbraw/zinc/13/61/58/419136158.db2.gz XTYNZHRMDIWZAK-OAHLLOKOSA-N -1 3 298.386 3.015 20 0 CGADHM [O-]c1ccc(Cc2nc([C@@H]3CCC[C@H]4C[C@H]43)no2)cc1F ZINC000656052365 419137521 /nfs/dbraw/zinc/13/75/21/419137521.db2.gz SVOQAQAOAPWCCW-QJPTWQEYSA-N -1 3 288.322 3.409 20 0 CGADHM Cc1ccc(C)c(CNC(C)(C)c2nc(C)cc(=O)[n-]2)c1 ZINC000660744659 419188105 /nfs/dbraw/zinc/18/81/05/419188105.db2.gz DJCZVMARWKNIJH-UHFFFAOYSA-N -1 3 285.391 3.132 20 0 CGADHM O=C([O-])c1csc(CN2CCCC3(CCCC3)CC2)n1 ZINC000656758396 419210479 /nfs/dbraw/zinc/21/04/79/419210479.db2.gz IILKPLCGBFUMIH-UHFFFAOYSA-N -1 3 294.420 3.388 20 0 CGADHM Cc1cccc2[nH]c(C[N-]c3nnc([C@H]4CCCO4)o3)cc21 ZINC000656771572 419214434 /nfs/dbraw/zinc/21/44/34/419214434.db2.gz ICGXRUNEOHZGQG-CQSZACIVSA-N -1 3 298.346 3.323 20 0 CGADHM CCN(CCC(F)(F)F)Cc1cccc(C(=O)[O-])c1 ZINC000666573603 419226737 /nfs/dbraw/zinc/22/67/37/419226737.db2.gz ZFQXLZHCJNEVBH-UHFFFAOYSA-N -1 3 275.270 3.159 20 0 CGADHM CCC[C@H]1CCCN(C(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000151812436 287523168 /nfs/dbraw/zinc/52/31/68/287523168.db2.gz CFZSLGHFPCGRQM-LBPRGKRZSA-N -1 3 294.370 3.253 20 0 CGADHM COCC1(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])CCC1 ZINC000355819962 228008476 /nfs/dbraw/zinc/00/84/76/228008476.db2.gz NTIPHDNMDUWJSM-UHFFFAOYSA-N -1 3 291.391 3.445 20 0 CGADHM C[C@@H](CCCCC(=O)[O-])NCc1ccc(F)c(F)c1F ZINC000663258690 419532878 /nfs/dbraw/zinc/53/28/78/419532878.db2.gz IHTSNSWDJSPBHJ-VIFPVBQESA-N -1 3 289.297 3.227 20 0 CGADHM Cc1ccc2ncc(C(=O)[O-])c(N3CC4CC3(C)C4)c2c1 ZINC000663259300 419536530 /nfs/dbraw/zinc/53/65/30/419536530.db2.gz WRVFOYQFDYIGFJ-UHFFFAOYSA-N -1 3 282.343 3.230 20 0 CGADHM CN(Cc1ccc(C(=O)[O-])cc1F)C[C@@H]1CC1(C)C ZINC000663316754 419553126 /nfs/dbraw/zinc/55/31/26/419553126.db2.gz GZVWPGRGVCXDNU-LBPRGKRZSA-N -1 3 265.328 3.002 20 0 CGADHM [O-]c1coc2cc(OCC3CCC(F)(F)CC3)ccc12 ZINC000664135865 419835250 /nfs/dbraw/zinc/83/52/50/419835250.db2.gz OJMAELXYCXXIFP-UHFFFAOYSA-N -1 3 282.286 3.466 20 0 CGADHM Cc1cc(C(=O)N[C@@H]2CC[C@H](C)C[C@@H]2C)ccc1[O-] ZINC000227029763 287636950 /nfs/dbraw/zinc/63/69/50/287636950.db2.gz YAQWWQRBLHIEFB-COPLHBTASA-N -1 3 261.365 3.255 20 0 CGADHM CC(C)N(Cc1ccccc1)C(=O)/C=C/c1cncc([O-])c1 ZINC000179411754 260047325 /nfs/dbraw/zinc/04/73/25/260047325.db2.gz CQSQLKSYKAUVSG-CMDGGOBGSA-N -1 3 296.370 3.238 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2C[C@H](C)C[C@@H](C)C2)c1 ZINC000522778639 262341211 /nfs/dbraw/zinc/34/12/11/262341211.db2.gz LPVLCMXBERFUNM-VXGBXAGGSA-N -1 3 261.365 3.073 20 0 CGADHM O=S(=O)([N-]C1CCCCC1)c1ccc(F)cc1Cl ZINC000044265995 270035215 /nfs/dbraw/zinc/03/52/15/270035215.db2.gz ONLSDQRSLJXBCZ-UHFFFAOYSA-N -1 3 291.775 3.090 20 0 CGADHM CCc1ccc(CC(=O)N2CCCc3cccc([O-])c32)cc1 ZINC000182927077 270054582 /nfs/dbraw/zinc/05/45/82/270054582.db2.gz BJRHBWSFXWCYAF-UHFFFAOYSA-N -1 3 295.382 3.477 20 0 CGADHM O=C(/C=C/c1nc2ccccc2o1)Nc1ccc([O-])cc1F ZINC000183251298 270055344 /nfs/dbraw/zinc/05/53/44/270055344.db2.gz QHEDMZVWBVVLIL-BQYQJAHWSA-N -1 3 298.273 3.324 20 0 CGADHM C[C@H]1CCN(C(=O)Cc2ccccc2)c2c([O-])cccc21 ZINC000186286888 270065495 /nfs/dbraw/zinc/06/54/95/270065495.db2.gz FSMTWPQPFORPNE-ZDUSSCGKSA-N -1 3 281.355 3.475 20 0 CGADHM O=C(Nc1c([O-])cccc1Cl)C1=CCCCC1 ZINC000519837184 265618361 /nfs/dbraw/zinc/61/83/61/265618361.db2.gz ZYDOVZKOVOJBCH-UHFFFAOYSA-N -1 3 251.713 3.485 20 0 CGADHM CCCC[C@@H](CC)CNC(=O)c1ccc(O)cc1[O-] ZINC000220050399 270085908 /nfs/dbraw/zinc/08/59/08/270085908.db2.gz POBHRFDYBRXYFH-LLVKDONJSA-N -1 3 265.353 3.044 20 0 CGADHM Cc1cc(C(=O)N[C@H]2CCC[C@@H](C)CC2)ccc1[O-] ZINC000227535807 270086983 /nfs/dbraw/zinc/08/69/83/270086983.db2.gz JQMKIDVHSBIJLH-RISCZKNCSA-N -1 3 261.365 3.399 20 0 CGADHM CS[C@@H]1CCC[C@@H](NC(=O)c2ccc(C)cc2[O-])C1 ZINC000227355141 270087191 /nfs/dbraw/zinc/08/71/91/270087191.db2.gz MRVNMBVRPUKEMR-VXGBXAGGSA-N -1 3 279.405 3.105 20 0 CGADHM CC[C@H](NC(=O)c1cccc2nn[n-]c21)c1ccc(C)cc1 ZINC000526112944 270122942 /nfs/dbraw/zinc/12/29/42/270122942.db2.gz MOLGEKMTEXCOKT-AWEZNQCLSA-N -1 3 294.358 3.147 20 0 CGADHM CC[C@H](NC(=O)c1cccc2[n-]nnc21)c1ccc(C)cc1 ZINC000526112944 270122943 /nfs/dbraw/zinc/12/29/43/270122943.db2.gz MOLGEKMTEXCOKT-AWEZNQCLSA-N -1 3 294.358 3.147 20 0 CGADHM CC[C@H](NC(=O)c1cccc2n[n-]nc21)c1ccc(C)cc1 ZINC000526112944 270122944 /nfs/dbraw/zinc/12/29/44/270122944.db2.gz MOLGEKMTEXCOKT-AWEZNQCLSA-N -1 3 294.358 3.147 20 0 CGADHM CCc1ccc([O-])c(-c2nc([C@@H]3CC[C@@H](C)O3)no2)c1 ZINC000528234237 270159164 /nfs/dbraw/zinc/15/91/64/270159164.db2.gz IBDLOUBDDXXEME-RNCFNFMXSA-N -1 3 274.320 3.245 20 0 CGADHM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000528873925 270175009 /nfs/dbraw/zinc/17/50/09/270175009.db2.gz DMJXYUYPZOSJQT-NMSKTSORSA-N -1 3 283.755 3.044 20 0 CGADHM O=C([C@@H]1CCCC12CC2)N1CCCc2cccc([O-])c21 ZINC000528937539 270175963 /nfs/dbraw/zinc/17/59/63/270175963.db2.gz IRRUJKOONUMTOL-ZDUSSCGKSA-N -1 3 271.360 3.252 20 0 CGADHM [O-]C(=NO[C@H]1CCCCO1)Nc1ccc2occc2c1 ZINC000529277115 270179244 /nfs/dbraw/zinc/17/92/44/270179244.db2.gz AEKHLJXDRIKBHP-ZDUSSCGKSA-N -1 3 276.292 3.013 20 0 CGADHM O=C([N-]O[C@H]1CCCCO1)Nc1ccc2occc2c1 ZINC000529277115 270179245 /nfs/dbraw/zinc/17/92/45/270179245.db2.gz AEKHLJXDRIKBHP-ZDUSSCGKSA-N -1 3 276.292 3.013 20 0 CGADHM [O-]C(=NOC1CCC1)Nc1cc2c(cc1Cl)CCC2 ZINC000529287508 270179633 /nfs/dbraw/zinc/17/96/33/270179633.db2.gz ZNSJTVNGYHTVKH-UHFFFAOYSA-N -1 3 280.755 3.434 20 0 CGADHM O=C([N-]OC1CCC1)Nc1cc2c(cc1Cl)CCC2 ZINC000529287508 270179634 /nfs/dbraw/zinc/17/96/34/270179634.db2.gz ZNSJTVNGYHTVKH-UHFFFAOYSA-N -1 3 280.755 3.434 20 0 CGADHM CC1(C)CCC[C@@H]1CCNC(=O)Cc1ccc([O-])c(F)c1 ZINC000529563352 270184556 /nfs/dbraw/zinc/18/45/56/270184556.db2.gz IAMYIEIKGSFVCU-CYBMUJFWSA-N -1 3 293.382 3.406 20 0 CGADHM Cc1ccc(C(=O)N[C@H](c2ccccn2)C2CCC2)c([O-])c1 ZINC000529826816 270189375 /nfs/dbraw/zinc/18/93/75/270189375.db2.gz LWJSBMRXJKVTAF-KRWDZBQOSA-N -1 3 296.370 3.367 20 0 CGADHM CCC[C@H](C)C(=O)N=c1[nH][n-]c(C)c1-c1ccccc1F ZINC000530275680 270198237 /nfs/dbraw/zinc/19/82/37/270198237.db2.gz MKNLKCZNMVPVSS-JTQLQIEISA-N -1 3 289.354 3.321 20 0 CGADHM CCc1cccc(C(=O)N(C)Cc2ccc(C)o2)c1[O-] ZINC000531119080 270204271 /nfs/dbraw/zinc/20/42/71/270204271.db2.gz DRGUXKMHIDTMPH-UHFFFAOYSA-N -1 3 273.332 3.128 20 0 CGADHM CCc1cccc(C(=O)Nc2nnc(C(C)C)s2)c1[O-] ZINC000531355709 270205918 /nfs/dbraw/zinc/20/59/18/270205918.db2.gz FFJLLDKXJBUZKA-UHFFFAOYSA-N -1 3 291.376 3.182 20 0 CGADHM Cc1ccc([O-])c(C(=O)N[C@@H]2CCCC(F)(F)C2)c1 ZINC000532271691 270214764 /nfs/dbraw/zinc/21/47/64/270214764.db2.gz RPMUMSPEWCWJOO-SNVBAGLBSA-N -1 3 269.291 3.008 20 0 CGADHM O=C(/C=C\c1ccc(F)cc1)Nc1ccccc1[O-] ZINC000255697090 287877283 /nfs/dbraw/zinc/87/72/83/287877283.db2.gz JYBFIKUAKXCWKK-YFHOEESVSA-N -1 3 257.264 3.183 20 0 CGADHM CC(C)(C)[C@@H]1CCN(C(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC000335324612 277236193 /nfs/dbraw/zinc/23/61/93/277236193.db2.gz WVCXPIPBVJTSQZ-GFCCVEGCSA-N -1 3 298.386 3.036 20 0 CGADHM C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2C(F)F)c2c([O-])cccc21 ZINC000338223198 277744323 /nfs/dbraw/zinc/74/43/23/277744323.db2.gz YFKBDTKKUQIWEI-FBIMIBRVSA-N -1 3 281.302 3.134 20 0 CGADHM CCC(CC)(CC)CNc1ccc2c(c1)C(=O)[N-]C2=O ZINC000395137150 288006099 /nfs/dbraw/zinc/00/60/99/288006099.db2.gz VZAYCBPRJVCZMB-UHFFFAOYSA-N -1 3 274.364 3.199 20 0 CGADHM CC1(C)CCCN(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000232830799 278213339 /nfs/dbraw/zinc/21/33/39/278213339.db2.gz WNCJHVAVNFFHAV-UHFFFAOYSA-N -1 3 267.756 3.308 20 0 CGADHM CC1(C)CN(C(=O)c2ccccc2[O-])Cc2ccccc2O1 ZINC000436839829 278325099 /nfs/dbraw/zinc/32/50/99/278325099.db2.gz QKMBAUAPTBFHFO-UHFFFAOYSA-N -1 3 297.354 3.206 20 0 CGADHM CC1(C)C[C@H](C(=O)Nc2ncccc2[O-])c2ccccc2O1 ZINC000411191755 278376358 /nfs/dbraw/zinc/37/63/58/278376358.db2.gz WLEMPUPSMYGZEQ-LBPRGKRZSA-N -1 3 298.342 3.071 20 0 CGADHM Cc1ccc(C(=O)N2Cc3ccccc3C[C@@H]2C)c([O-])c1 ZINC000172787495 278789762 /nfs/dbraw/zinc/78/97/62/278789762.db2.gz WTUDMZPSQREKEU-ZDUSSCGKSA-N -1 3 281.355 3.288 20 0 CGADHM CCC[C@H]1[C@H](C)CCCN1C(=O)c1ccccc1[O-] ZINC000436572890 278964236 /nfs/dbraw/zinc/96/42/36/278964236.db2.gz IALFXALTHHVLGI-OCCSQVGLSA-N -1 3 261.365 3.433 20 0 CGADHM CCC[C@]1(C)CCCN(C(=O)c2c([O-])cccc2O)C1 ZINC000092123585 278972710 /nfs/dbraw/zinc/97/27/10/278972710.db2.gz ULCIWXIEHWIFBL-MRXNPFEDSA-N -1 3 277.364 3.140 20 0 CGADHM Cc1csc(C(=O)N2CCCc3cccc([O-])c32)c1 ZINC000293620547 279039187 /nfs/dbraw/zinc/03/91/87/279039187.db2.gz FPMUANNNTDHMCE-UHFFFAOYSA-N -1 3 273.357 3.355 20 0 CGADHM C[C@@H]1[C@@H](C(=O)N2CC[C@@H](C)c3cccc([O-])c32)C1(F)F ZINC000468862101 279075483 /nfs/dbraw/zinc/07/54/83/279075483.db2.gz DNLXCWKCZSVKCL-LNLATYFQSA-N -1 3 281.302 3.134 20 0 CGADHM O=C([C@@H]1CCC[C@@H](F)C1)N1CCCc2cccc([O-])c21 ZINC000335223787 280090113 /nfs/dbraw/zinc/09/01/13/280090113.db2.gz QSRKIUSLKIDQRU-CHWSQXEVSA-N -1 3 277.339 3.200 20 0 CGADHM CCc1cccc(C(=O)N2CCC(F)(F)C[C@H]2C)c1[O-] ZINC000530009441 288283573 /nfs/dbraw/zinc/28/35/73/288283573.db2.gz BBLCKEQISJIOET-SNVBAGLBSA-N -1 3 283.318 3.214 20 0 CGADHM Cc1ccc(F)c(CN2[C@@H](C)CC(C(=O)[O-])C[C@@H]2C)c1 ZINC000530177057 288294888 /nfs/dbraw/zinc/29/48/88/288294888.db2.gz WPWXWCOQAUVHER-RYUDHWBXSA-N -1 3 279.355 3.208 20 0 CGADHM CC[C@H]1C[C@H](C)CN1C(=O)c1ccc(C)c(C)c1[O-] ZINC000436590328 281234497 /nfs/dbraw/zinc/23/44/97/281234497.db2.gz SLEYLYJNQYYWOB-GWCFXTLKSA-N -1 3 261.365 3.270 20 0 CGADHM CC[C@H]1[C@@H](C)CCN1C(=O)c1c[n-]c2ccc(C)cc2c1=O ZINC000342563917 281261705 /nfs/dbraw/zinc/26/17/05/281261705.db2.gz FSSHHIXDRBSAJB-LRDDRELGSA-N -1 3 298.386 3.097 20 0 CGADHM CCc1cc(C(=O)N2C[C@@H](C)CC(C)(C)C2)ccc1[O-] ZINC000487005273 281379635 /nfs/dbraw/zinc/37/96/35/281379635.db2.gz FOAMDHYVYWJARY-LBPRGKRZSA-N -1 3 275.392 3.463 20 0 CGADHM CC[C@](C)([N-]C(=O)[C@H](C)C(F)(F)F)C(F)(F)F ZINC000531093667 288328996 /nfs/dbraw/zinc/32/89/96/288328996.db2.gz UNTXUJBMMUBHDZ-FSPLSTOPSA-N -1 3 265.197 3.032 20 0 CGADHM Cc1ccc(O)c(C(=O)Nc2ccc(Cl)cc2[O-])c1 ZINC000532838289 288371177 /nfs/dbraw/zinc/37/11/77/288371177.db2.gz XHDBELWQLOJRSK-UHFFFAOYSA-N -1 3 277.707 3.312 20 0 CGADHM CCN(Cc1ccc(C)cc1)C(=O)c1ccc(OC)cc1[O-] ZINC000536690989 288497457 /nfs/dbraw/zinc/49/74/57/288497457.db2.gz IAKNAURMZRTDQU-UHFFFAOYSA-N -1 3 299.370 3.372 20 0 CGADHM CCCC(CCC)Sc1nc2c(cnn2C)c(=O)[n-]1 ZINC000539969079 288640325 /nfs/dbraw/zinc/64/03/25/288640325.db2.gz LEHWAWLPKRCUGL-UHFFFAOYSA-N -1 3 280.397 3.130 20 0 CGADHM C[C@@H]1CCC[C@H](OCC(=O)Nc2ccc([O-])cc2F)C1 ZINC000541892486 288726430 /nfs/dbraw/zinc/72/64/30/288726430.db2.gz WELSOIHRKHVALH-PWSUYJOCSA-N -1 3 281.327 3.065 20 0 CGADHM Cc1ncc(CN[C@H](C)c2ccc(Cl)c(F)c2)c(=O)[n-]1 ZINC000544384564 288844662 /nfs/dbraw/zinc/84/46/62/288844662.db2.gz VXUZPZPNCMFGHF-MRVPVSSYSA-N -1 3 295.745 3.134 20 0 CGADHM O=C(N=c1cc2ccccn2[n-]1)c1cc2ccccc2s1 ZINC000553324342 289219266 /nfs/dbraw/zinc/21/92/66/289219266.db2.gz HUWUNOWFWOLHKJ-UHFFFAOYSA-N -1 3 293.351 3.223 20 0 CGADHM CCc1cc(C(=O)NCC2(C(C)C)CC2)ccc1[O-] ZINC000553497428 289227495 /nfs/dbraw/zinc/22/74/95/289227495.db2.gz HRSIPRJVZBUZJD-UHFFFAOYSA-N -1 3 261.365 3.121 20 0 CGADHM CC(=O)c1cccc(NC(=O)C2C(C)(C)C2(C)C)c1[O-] ZINC000554695423 289300717 /nfs/dbraw/zinc/30/07/17/289300717.db2.gz FCUMKOJHWXCSOO-UHFFFAOYSA-N -1 3 275.348 3.216 20 0 CGADHM COc1ccc(NC(=O)c2ccc(C3CC3)nc2C)c([O-])c1 ZINC000556258967 289382474 /nfs/dbraw/zinc/38/24/74/289382474.db2.gz FBBRJLCHBUZHRD-UHFFFAOYSA-N -1 3 298.342 3.234 20 0 CGADHM CC(=O)c1cccc(NC(=O)c2cccn2C(C)C)c1[O-] ZINC000556892036 289419431 /nfs/dbraw/zinc/41/94/31/289419431.db2.gz GVMHXDVXRQIDKN-UHFFFAOYSA-N -1 3 286.331 3.230 20 0 CGADHM C(=Cc1nc(-c2ccc3n[n-]nc3c2)no1)c1ccsc1 ZINC000558891800 289525957 /nfs/dbraw/zinc/52/59/57/289525957.db2.gz JJVZEZUDKBNZNQ-DAFODLJHSA-N -1 3 295.327 3.240 20 0 CGADHM COc1ccsc1C(=O)Nc1c([O-])cccc1Cl ZINC000560822034 289617555 /nfs/dbraw/zinc/61/75/55/289617555.db2.gz WGQIAXRLPVMRLV-UHFFFAOYSA-N -1 3 283.736 3.368 20 0 CGADHM C[C@H]1CC[C@H](C)N1Cc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000459353742 300066008 /nfs/dbraw/zinc/06/60/08/300066008.db2.gz ABZVVYUNZAWPHK-STQMWFEESA-N -1 3 283.375 3.222 20 0 CGADHM Cc1cc(C(=O)N2CCC(C)(C3CC3)CC2)ccc1[O-] ZINC000427580830 301086002 /nfs/dbraw/zinc/08/60/02/301086002.db2.gz RIZPIXBVFXDCQN-UHFFFAOYSA-N -1 3 273.376 3.353 20 0 CGADHM Cc1cc(C(=O)N2C[C@H](C)CCC[C@H]2C)ccc1[O-] ZINC000436903997 301122921 /nfs/dbraw/zinc/12/29/21/301122921.db2.gz OQFUYAZVRLEFPZ-DGCLKSJQSA-N -1 3 261.365 3.351 20 0 CGADHM O=C(NC1(c2ccc(Cl)cc2)CC1)c1cccc([O-])c1 ZINC000357354628 303717488 /nfs/dbraw/zinc/71/74/88/303717488.db2.gz JDGNEEIADIGVMA-UHFFFAOYSA-N -1 3 287.746 3.465 20 0 CGADHM C[C@H]1CCN(CCCCC(=O)[O-])[C@H](c2ccco2)C1 ZINC000582850628 329279971 /nfs/dbraw/zinc/27/99/71/329279971.db2.gz AHXYLSGGIJONFD-STQMWFEESA-N -1 3 265.353 3.308 20 0 CGADHM CC(C)[C@H]1CCC[C@@H](NC(=O)c2csc(=O)[n-]2)CC1 ZINC000332934311 321964218 /nfs/dbraw/zinc/96/42/18/321964218.db2.gz KVOKIWWAAVJLHA-WDEREUQCSA-N -1 3 282.409 3.183 20 0 CGADHM CCS[C@@H]1CCCCN(Cc2cc(C)c(C(=O)[O-])o2)C1 ZINC000563816296 322011381 /nfs/dbraw/zinc/01/13/81/322011381.db2.gz ISXNXQYGBSFMFU-CYBMUJFWSA-N -1 3 297.420 3.394 20 0 CGADHM Cc1cc([C@@H](C)N2CCCO[C@@H](C(C)C)C2)oc1C(=O)[O-] ZINC000563822452 322012138 /nfs/dbraw/zinc/01/21/38/322012138.db2.gz SDPXUYPKSVWENT-TZMCWYRMSA-N -1 3 295.379 3.094 20 0 CGADHM Cc1ccccc1C1CCN(Cc2ncccc2[O-])CC1 ZINC000564003890 322017856 /nfs/dbraw/zinc/01/78/56/322017856.db2.gz HDRMZVGCCINOAK-UHFFFAOYSA-N -1 3 282.387 3.475 20 0 CGADHM CC[C@@H](NCc1ncccc1[O-])c1ccc(F)cc1F ZINC000564301156 322025671 /nfs/dbraw/zinc/02/56/71/322025671.db2.gz GGNZFLKCVHMMKT-CYBMUJFWSA-N -1 3 278.302 3.306 20 0 CGADHM C[C@H]1CCN(Cc2ncccc2[O-])[C@H](c2ccco2)C1 ZINC000564298400 322025935 /nfs/dbraw/zinc/02/59/35/322025935.db2.gz JQPHODUEALKBTN-JSGCOSHPSA-N -1 3 272.348 3.353 20 0 CGADHM Cc1cccc(Cl)c1CN1CCC[C@@](C)(C(=O)[O-])C1 ZINC000565100725 322059398 /nfs/dbraw/zinc/05/93/98/322059398.db2.gz CLJCNHPGJULWCJ-OAHLLOKOSA-N -1 3 281.783 3.335 20 0 CGADHM C[C@H](CN(C)Cc1ccc(C(=O)[O-])s1)c1nccs1 ZINC000565103599 322060442 /nfs/dbraw/zinc/06/04/42/322060442.db2.gz HJVFJPPVHUMRSC-SECBINFHSA-N -1 3 296.417 3.138 20 0 CGADHM C[C@@H]1CN(Cc2cccc(Cl)c2F)C[C@@]1(C)C(=O)[O-] ZINC000565111657 322061433 /nfs/dbraw/zinc/06/14/33/322061433.db2.gz NDCHNZVLCKIYRC-YMTOWFKASA-N -1 3 285.746 3.022 20 0 CGADHM CCc1nc(C)c(CN(CC)C2CCC(C(=O)[O-])CC2)o1 ZINC000565251470 322070175 /nfs/dbraw/zinc/07/01/75/322070175.db2.gz WOCJMXQVVMDJQJ-UHFFFAOYSA-N -1 3 294.395 3.011 20 0 CGADHM CC(C)CC[C@@H]1CCC[C@H]1NC(=O)Cc1cncc([O-])c1 ZINC000565905041 322096798 /nfs/dbraw/zinc/09/67/98/322096798.db2.gz QTTAJVDTYCLMCB-GOEBONIOSA-N -1 3 290.407 3.051 20 0 CGADHM O=C([O-])c1ccc(CN(CC2CCCCC2)C2CC2)nc1 ZINC000566074879 322103159 /nfs/dbraw/zinc/10/31/59/322103159.db2.gz SIUCNPRKZUBISD-UHFFFAOYSA-N -1 3 288.391 3.325 20 0 CGADHM CCSCC[C@H](C)N(C)Cc1cc(C(=O)[O-])oc1C ZINC000566363624 322118774 /nfs/dbraw/zinc/11/87/74/322118774.db2.gz QCZAFCBIQAGTKL-JTQLQIEISA-N -1 3 285.409 3.250 20 0 CGADHM CCO[C@H](C)c1ncc(C(=O)[N-]c2nc(CC)co2)s1 ZINC000566863928 322141263 /nfs/dbraw/zinc/14/12/63/322141263.db2.gz MUMWUPYWAZVCLJ-MRVPVSSYSA-N -1 3 295.364 3.043 20 0 CGADHM CCc1cc(C(=O)N[C@@H]2COc3ccc(C)cc32)ccc1[O-] ZINC000566891151 322142133 /nfs/dbraw/zinc/14/21/33/322142133.db2.gz OPAVMBFIDQZOFT-OAHLLOKOSA-N -1 3 297.354 3.127 20 0 CGADHM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C/C=C\c1ccc(F)c(F)c1 ZINC000567343752 322159705 /nfs/dbraw/zinc/15/97/05/322159705.db2.gz SVMWICXILSTSNH-XFKWNRGUSA-N -1 3 295.329 3.163 20 0 CGADHM CCO[C@@H]1C[C@@H](N(C)Cc2csc(C(=O)[O-])c2)C1(C)C ZINC000567595376 322169549 /nfs/dbraw/zinc/16/95/49/322169549.db2.gz FRZYSABORDZOOY-CHWSQXEVSA-N -1 3 297.420 3.082 20 0 CGADHM O=C([O-])c1ccc(CN2CCC[C@H]2c2cccs2)nc1 ZINC000568060880 322190410 /nfs/dbraw/zinc/19/04/10/322190410.db2.gz RSGJIHHFGKOLNG-ZDUSSCGKSA-N -1 3 288.372 3.178 20 0 CGADHM CCc1[n-][nH]c(=NC(=O)c2ccccc2C(C)(C)C)c1C ZINC000568411575 322208628 /nfs/dbraw/zinc/20/86/28/322208628.db2.gz VNZPRSVVZBJFJV-UHFFFAOYSA-N -1 3 285.391 3.252 20 0 CGADHM CC(C)N(Cc1ccc(C(=O)[O-])cc1)Cc1ccccn1 ZINC000568478771 322210652 /nfs/dbraw/zinc/21/06/52/322210652.db2.gz LPSDZVFIMGVDDK-UHFFFAOYSA-N -1 3 284.359 3.190 20 0 CGADHM CN(Cc1ccc(C(=O)[O-])cc1F)C1Cc2ccccc2C1 ZINC000569109071 322235131 /nfs/dbraw/zinc/23/51/31/322235131.db2.gz TVMGAFWORCYNNR-UHFFFAOYSA-N -1 3 299.345 3.123 20 0 CGADHM C[C@H](c1ncc(C(C)(C)C)o1)N1C[C@@H](C)[C@](C)(C(=O)[O-])C1 ZINC000569612253 322252123 /nfs/dbraw/zinc/25/21/23/322252123.db2.gz UQAZIGIOMYPBBN-GLKRBJQHSA-N -1 3 294.395 3.076 20 0 CGADHM CCc1cccc(C(=O)N2CC(C)(C)[C@@H]2C2CC2)c1[O-] ZINC000570461352 322274244 /nfs/dbraw/zinc/27/42/44/322274244.db2.gz YXZQRKFHDIHZHC-HNNXBMFYSA-N -1 3 273.376 3.215 20 0 CGADHM Cc1ccc(NC(=O)C2(C(F)F)CCCC2)c([O-])c1 ZINC000571710283 322305825 /nfs/dbraw/zinc/30/58/25/322305825.db2.gz LDWBGWBYGCMMLQ-UHFFFAOYSA-N -1 3 269.291 3.465 20 0 CGADHM CCCN(CC)Cc1c(Cl)cccc1C(=O)[O-] ZINC000571768029 322307510 /nfs/dbraw/zinc/30/75/10/322307510.db2.gz BIPGNVIMYNLSDI-UHFFFAOYSA-N -1 3 255.745 3.270 20 0 CGADHM COCCC[C@H](C)C(=O)Nc1c([O-])cccc1Cl ZINC000572541153 322342679 /nfs/dbraw/zinc/34/26/79/322342679.db2.gz URPWZQDBJHEMAG-VIFPVBQESA-N -1 3 271.744 3.047 20 0 CGADHM CCC[C@H](C(=O)[O-])N1CCC[C@H]1c1cccs1 ZINC000572848272 322357898 /nfs/dbraw/zinc/35/78/98/322357898.db2.gz CILZKHGFESEPEC-WDEREUQCSA-N -1 3 253.367 3.138 20 0 CGADHM CCc1cc(C(=O)NCC2CC(C)(C)C2)ccc1[O-] ZINC000574976138 322466246 /nfs/dbraw/zinc/46/62/46/322466246.db2.gz MIVHWXXDPRRASU-UHFFFAOYSA-N -1 3 261.365 3.121 20 0 CGADHM C[C@H]1CCSCCN1Cc1cccc(C(=O)[O-])c1Cl ZINC000385171376 327361087 /nfs/dbraw/zinc/36/10/87/327361087.db2.gz FXSRLZFATCYDCM-JTQLQIEISA-N -1 3 299.823 3.366 20 0 CGADHM CC(=O)c1cccc(NC(=O)C[C@@H]2CC[C@H](C)C2)c1[O-] ZINC000582610710 329116317 /nfs/dbraw/zinc/11/63/17/329116317.db2.gz VSDGLKHPCGYMAC-CMPLNLGQSA-N -1 3 275.348 3.360 20 0 CGADHM CC(C)C[C@@H](NC(=O)Cc1cncc([O-])c1)c1ccccc1 ZINC000584367826 329295728 /nfs/dbraw/zinc/29/57/28/329295728.db2.gz JSHRAZCFPUCENQ-QGZVFWFLSA-N -1 3 298.386 3.233 20 0 CGADHM CCCC[C@H](N)C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000232398662 329385366 /nfs/dbraw/zinc/38/53/66/329385366.db2.gz LPBFIQBAJKGMLN-JTQLQIEISA-N -1 3 291.178 3.155 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)N2CC[C@](C)(c3ccccc3)C2)n1 ZINC000583243218 329392823 /nfs/dbraw/zinc/39/28/23/329392823.db2.gz FHDBJOCPUYLLHI-KDOFPFPSSA-N -1 3 297.402 3.215 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])c1cccc2c1CCC2 ZINC000174877984 335168417 /nfs/dbraw/zinc/16/84/17/335168417.db2.gz GPEVFYPAGOQIRD-UHFFFAOYSA-N -1 3 271.291 3.272 20 0 CGADHM O=C(Nc1ccccc1[O-])[C@@H]1SCCc2sccc21 ZINC000175085675 335173440 /nfs/dbraw/zinc/17/34/40/335173440.db2.gz FSRXONXJOMPIHW-CYBMUJFWSA-N -1 3 291.397 3.423 20 0 CGADHM Cc1ccc(NC(=O)Cc2cc(F)ccc2F)c([O-])c1 ZINC000175058781 335172084 /nfs/dbraw/zinc/17/20/84/335172084.db2.gz IKQYIDKSBQTUAT-UHFFFAOYSA-N -1 3 277.270 3.160 20 0 CGADHM C[C@@H]1CC[C@H](C(=O)Nc2c([O-])cccc2Cl)C1 ZINC000576528653 335215905 /nfs/dbraw/zinc/21/59/05/335215905.db2.gz ANLXJYJWKVDBPE-BDAKNGLRSA-N -1 3 253.729 3.420 20 0 CGADHM Cc1cc([C@H](C)N2CC[C@@H](C)[C@H](C)C2)oc1C(=O)[O-] ZINC000576761450 335244973 /nfs/dbraw/zinc/24/49/73/335244973.db2.gz MLSTXZUPPBJWTD-JLLWLGSASA-N -1 3 265.353 3.325 20 0 CGADHM Cc1oc([C@@H](C)N2CCCCCC2)cc1C(=O)[O-] ZINC000576830594 335253464 /nfs/dbraw/zinc/25/34/64/335253464.db2.gz VSJZQYLCUWRQRM-SNVBAGLBSA-N -1 3 251.326 3.223 20 0 CGADHM Cc1ccccc1[C@H]1CCN(c2ccncc2C(=O)[O-])C1 ZINC000577065868 335294549 /nfs/dbraw/zinc/29/45/49/335294549.db2.gz FGEMUDNKMNKAPR-ZDUSSCGKSA-N -1 3 282.343 3.082 20 0 CGADHM CC(C)(C)c1ccc([O-])c(NC(=O)c2cn3c(n2)CCC3)c1 ZINC000577282721 335335080 /nfs/dbraw/zinc/33/50/80/335335080.db2.gz UIXOJJJZQVWRLG-UHFFFAOYSA-N -1 3 299.374 3.085 20 0 CGADHM CCCCN(CCOC)Cc1ccc(C(=O)[O-])c(Cl)c1 ZINC000577285611 335335590 /nfs/dbraw/zinc/33/55/90/335335590.db2.gz KYKKKEXWBSFNBV-UHFFFAOYSA-N -1 3 299.798 3.287 20 0 CGADHM Cc1nnc(-c2cccc(C(=O)Nc3ccccc3[O-])c2)o1 ZINC000176987647 335352282 /nfs/dbraw/zinc/35/22/82/335352282.db2.gz KGXVVSPZQVZSCX-UHFFFAOYSA-N -1 3 295.298 3.003 20 0 CGADHM CC(C)[C@H](C(=O)Nc1cccc([O-])c1F)c1cccnc1 ZINC000577454221 335353646 /nfs/dbraw/zinc/35/36/46/335353646.db2.gz IEOGPFUAEBVAFX-AWEZNQCLSA-N -1 3 288.322 3.305 20 0 CGADHM C[C@H](NCc1csc(-c2ccsc2)n1)[C@H](C)C(=O)[O-] ZINC000577878579 335416622 /nfs/dbraw/zinc/41/66/22/335416622.db2.gz OXMJQJIFRRIPQP-IUCAKERBSA-N -1 3 296.417 3.070 20 0 CGADHM CCc1cnccc1-c1noc(-c2cc(OC)ccc2[O-])n1 ZINC000350563721 335514368 /nfs/dbraw/zinc/51/43/68/335514368.db2.gz AJLFERHEAOSYIB-UHFFFAOYSA-N -1 3 297.314 3.075 20 0 CGADHM O=C(Nc1ccc([O-])cc1F)[C@H]1C[C@]12CCc1ccccc12 ZINC000180859208 335627258 /nfs/dbraw/zinc/62/72/58/335627258.db2.gz MPMYAKWWOWLNFE-KDOFPFPSSA-N -1 3 297.329 3.374 20 0 CGADHM COc1ccccc1C(=O)Nc1c([O-])cccc1Cl ZINC000581220186 336025987 /nfs/dbraw/zinc/02/59/87/336025987.db2.gz KODPBKOFZMWPFK-UHFFFAOYSA-N -1 3 277.707 3.307 20 0 CGADHM C[C@H](CCCCC(=O)[O-])NCc1ccc(F)cc1F ZINC000581286877 336036948 /nfs/dbraw/zinc/03/69/48/336036948.db2.gz FJZOJOPWYKSZDU-SNVBAGLBSA-N -1 3 271.307 3.088 20 0 CGADHM CCc1cccc(C(=O)NCc2cc3ccccc3[nH]2)c1[O-] ZINC000581504480 336091581 /nfs/dbraw/zinc/09/15/81/336091581.db2.gz LYYZVEVXQXZPKT-UHFFFAOYSA-N -1 3 294.354 3.366 20 0 CGADHM C[C@@H](N(C)Cc1ccc(C(=O)[O-])cc1F)C1(C)CC1 ZINC000385190557 336141542 /nfs/dbraw/zinc/14/15/42/336141542.db2.gz MJNYQDDSWPUHOI-SNVBAGLBSA-N -1 3 265.328 3.144 20 0 CGADHM CCC[C@H]1[C@H](C)CCCN1Cc1nc(C(=O)[O-])cs1 ZINC000581889796 336160692 /nfs/dbraw/zinc/16/06/92/336160692.db2.gz MPDDWFRNYKKYIC-PWSUYJOCSA-N -1 3 282.409 3.242 20 0 CGADHM COc1cccc(C(=O)N[C@@H](C)CCC(C)(C)C)c1[O-] ZINC000386078914 336165953 /nfs/dbraw/zinc/16/59/53/336165953.db2.gz DQEUZUGRONJMDM-NSHDSACASA-N -1 3 279.380 3.345 20 0 CGADHM Cc1ccc(C(=O)NC(C2CCC2)C2CCC2)c([O-])c1 ZINC000325394936 500968917 /nfs/dbraw/zinc/96/89/17/500968917.db2.gz IUGJGUZZKQLRRZ-UHFFFAOYSA-N -1 3 273.376 3.399 20 0 CGADHM C[C@@H]1CCC[C@@H](C(=O)N=c2cc(-c3ccccc3)[n-][nH]2)C1 ZINC000439023658 533723838 /nfs/dbraw/zinc/72/38/38/533723838.db2.gz XBWGWJJAIHLPDU-TZMCWYRMSA-N -1 3 283.375 3.263 20 0 CGADHM C[C@H](NCc1ccc(F)c(Cl)c1Cl)[C@H](C)C(=O)[O-] ZINC000417607185 533919535 /nfs/dbraw/zinc/91/95/35/533919535.db2.gz MEPJCETXQXAOMY-BQBZGAKWSA-N -1 3 294.153 3.331 20 0 CGADHM C[C@H]1Cc2ccccc2[C@@H]1NC(=O)Cc1ccc([O-])c(F)c1 ZINC000448961736 534113981 /nfs/dbraw/zinc/11/39/81/534113981.db2.gz NTLAPEQHGQTFIY-BBATYDOGSA-N -1 3 299.345 3.124 20 0 CGADHM Cc1ccc(-c2nc(-c3cncc(C)c3)no2)c([O-])c1 ZINC000436893666 534206145 /nfs/dbraw/zinc/20/61/45/534206145.db2.gz ORJAGNIPIYWLPZ-UHFFFAOYSA-N -1 3 267.288 3.121 20 0 CGADHM COC(=O)c1cnc(SCC2CCC(F)(F)CC2)[n-]1 ZINC000413001564 534307657 /nfs/dbraw/zinc/30/76/57/534307657.db2.gz DBJAOBLYGDUFTR-UHFFFAOYSA-N -1 3 290.335 3.114 20 0 CGADHM CC(=O)c1ccc(C(=O)Nc2cc(C)ccc2[O-])cc1 ZINC000111577452 518327275 /nfs/dbraw/zinc/32/72/75/518327275.db2.gz JFULPKXBGLTJMD-UHFFFAOYSA-N -1 3 269.300 3.156 20 0 CGADHM Cc1ccc2c(c1)CC[C@H]2NC(=O)Cc1ccc([O-])c(F)c1 ZINC000448781576 534417228 /nfs/dbraw/zinc/41/72/28/534417228.db2.gz JPZJZTVKYFTOPN-MRXNPFEDSA-N -1 3 299.345 3.186 20 0 CGADHM O=C(Nc1nc(C2CC2)c[nH]1)c1cc2c(cc1[O-])CCCC2 ZINC000436705980 534471501 /nfs/dbraw/zinc/47/15/01/534471501.db2.gz BMACZAOTYIIUMU-UHFFFAOYSA-N -1 3 297.358 3.124 20 0 CGADHM O=C(Nc1ncccc1[O-])[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000427459368 534473945 /nfs/dbraw/zinc/47/39/45/534473945.db2.gz QUPHCOKOSPZUBV-HTQZYQBOSA-N -1 3 294.763 3.244 20 0 CGADHM O=C([O-])[C@@H](NC/C=C/c1ccc(F)cc1)c1ccccc1 ZINC000426769461 534513902 /nfs/dbraw/zinc/51/39/02/534513902.db2.gz JDMLARVSWFILDD-APHBUQMISA-N -1 3 285.318 3.254 20 0 CGADHM CCSCc1cc(C(=O)Nc2ccc(C)cc2[O-])no1 ZINC000184740407 521718003 /nfs/dbraw/zinc/71/80/03/521718003.db2.gz ACQSZEUUHZUXDP-UHFFFAOYSA-N -1 3 292.360 3.194 20 0 CGADHM Cc1occc1SCc1cc(=O)[n-]c(C2CC2)n1 ZINC000413000205 534587472 /nfs/dbraw/zinc/58/74/72/534587472.db2.gz NIWMAKJQYOGABJ-UHFFFAOYSA-N -1 3 262.334 3.253 20 0 CGADHM Cc1cccc(C(=O)N2Cc3ccccc3O[C@H](C)C2)c1[O-] ZINC000436690082 534598757 /nfs/dbraw/zinc/59/87/57/534598757.db2.gz XXFMBKGMRZMRPP-CYBMUJFWSA-N -1 3 297.354 3.124 20 0 CGADHM COc1cc(Cl)ccc1C(=O)Nc1ccccc1[O-] ZINC000049398496 522549844 /nfs/dbraw/zinc/54/98/44/522549844.db2.gz HKENDBSGENNJFU-UHFFFAOYSA-N -1 3 277.707 3.307 20 0 CGADHM CCc1onc(C)c1[N-]C(=O)c1ccc(SC)o1 ZINC000089395321 523060147 /nfs/dbraw/zinc/06/01/47/523060147.db2.gz MYTKBKSOQHMTNH-UHFFFAOYSA-N -1 3 266.322 3.113 20 0 CGADHM CCc1cc(C(=O)N(CC)C2CCCC2)ccc1[O-] ZINC000291510499 523748420 /nfs/dbraw/zinc/74/84/20/523748420.db2.gz QJQIXAAYEGGTCU-UHFFFAOYSA-N -1 3 261.365 3.359 20 0 CGADHM Cc1csc(-c2noc(-c3cc(C)ccc3[O-])n2)n1 ZINC000436928793 534765285 /nfs/dbraw/zinc/76/52/85/534765285.db2.gz XDFYOKDNEMAGFX-UHFFFAOYSA-N -1 3 273.317 3.183 20 0 CGADHM COc1ccccc1CCC[S@@](=O)c1cccc([O-])c1 ZINC000184046309 524404015 /nfs/dbraw/zinc/40/40/15/524404015.db2.gz SRBLJHHXHXJFKW-HXUWFJFHSA-N -1 3 290.384 3.141 20 0 CGADHM C[C@@H](CCC(=O)[O-])NCc1c(Cl)cccc1Cl ZINC000309772436 524443018 /nfs/dbraw/zinc/44/30/18/524443018.db2.gz HVOQNGQWNPHHGE-QMMMGPOBSA-N -1 3 276.163 3.336 20 0 CGADHM Cc1ccccc1C1(CNC(=O)c2ccc([O-])c(C)c2)CC1 ZINC000436929003 534802893 /nfs/dbraw/zinc/80/28/93/534802893.db2.gz SUHBNKQWECMXRL-UHFFFAOYSA-N -1 3 295.382 3.471 20 0 CGADHM CC(C)(C)c1ncc(/C=C\C(=O)[N-]OCCC2CC2)s1 ZINC000493557306 534909651 /nfs/dbraw/zinc/90/96/51/534909651.db2.gz PAPKFEPWGSZRSQ-SREVYHEPSA-N -1 3 294.420 3.302 20 0 CGADHM O=C(CC1CCC1)Nc1cc(Br)ccc1[O-] ZINC000085591408 526352405 /nfs/dbraw/zinc/35/24/05/526352405.db2.gz IPFQTMFPRDZYNV-UHFFFAOYSA-N -1 3 284.153 3.283 20 0 CGADHM CC(C)(C)[C@H]1CCC[C@H]1NC(=O)c1cccc([O-])c1 ZINC000413989649 526730121 /nfs/dbraw/zinc/73/01/21/526730121.db2.gz MOPKLEYHOIQMJV-UONOGXRCSA-N -1 3 261.365 3.337 20 0 CGADHM CC(=O)[C@@H](C)SCc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000412999354 527125604 /nfs/dbraw/zinc/12/56/04/527125604.db2.gz LVJGKPXJVGTTAF-LLVKDONJSA-N -1 3 288.372 3.060 20 0 CGADHM CC(C)(CNC(=O)c1c([O-])cccc1O)Cc1ccccc1 ZINC000436648003 527159531 /nfs/dbraw/zinc/15/95/31/527159531.db2.gz OLQIUYUHSVHCDQ-UHFFFAOYSA-N -1 3 299.370 3.097 20 0 CGADHM CC(=O)c1ccc(C(=O)N2C[C@H](C)CC(C)(C)C2)cc1[O-] ZINC000412247051 527249493 /nfs/dbraw/zinc/24/94/93/527249493.db2.gz PTFVKYPNTZGHDA-LLVKDONJSA-N -1 3 289.375 3.103 20 0 CGADHM CC(=O)c1ccc(C(=O)NC2CC(C(C)(C)C)C2)cc1[O-] ZINC000412370788 527250196 /nfs/dbraw/zinc/25/01/96/527250196.db2.gz YLWSQKGKQARAAR-UHFFFAOYSA-N -1 3 289.375 3.149 20 0 CGADHM O=[S@](Cc1cccc(Cl)c1)c1ccc([O-])cc1 ZINC000108086416 527428193 /nfs/dbraw/zinc/42/81/93/527428193.db2.gz UAQODEXFDNYHSC-KRWDZBQOSA-N -1 3 266.749 3.353 20 0 CGADHM CC(C)(C)C[C@H]1CCCN1C(=O)c1cccc([O-])c1 ZINC000357336454 527703910 /nfs/dbraw/zinc/70/39/10/527703910.db2.gz MGMORXAYVPDZAH-CYBMUJFWSA-N -1 3 261.365 3.433 20 0 CGADHM CC(C)c1ccc(C(=O)N2CC[C@@](C)(F)C2)c([O-])c1 ZINC000436968301 528065255 /nfs/dbraw/zinc/06/52/55/528065255.db2.gz ZZYSDPIIKRSJFD-OAHLLOKOSA-N -1 3 265.328 3.090 20 0 CGADHM CCOc1cc(C)ccc1CNC(=O)c1ccccc1[O-] ZINC000436585539 528245584 /nfs/dbraw/zinc/24/55/84/528245584.db2.gz QLBVOXCHNYEDKK-UHFFFAOYSA-N -1 3 285.343 3.029 20 0 CGADHM CC1CN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000436637846 528273296 /nfs/dbraw/zinc/27/32/96/528273296.db2.gz ANQIHRCMTLQOAT-UHFFFAOYSA-N -1 3 281.355 3.075 20 0 CGADHM CC(C)[C@@H]1CCN(C(=O)c2cc3c(cc2[O-])CCCC3)C1 ZINC000436582883 528698312 /nfs/dbraw/zinc/69/83/12/528698312.db2.gz IRXMEACAWQEOKM-OAHLLOKOSA-N -1 3 287.403 3.389 20 0 CGADHM CCOc1ccccc1CNC(=O)c1ccc(C)c(C)c1[O-] ZINC000436847960 528728909 /nfs/dbraw/zinc/72/89/09/528728909.db2.gz LXOYUHATQLMQKJ-UHFFFAOYSA-N -1 3 299.370 3.338 20 0 CGADHM CCC(CC)CN(CC)C(=O)Cc1ccc([O-])c(F)c1 ZINC000448697370 528739529 /nfs/dbraw/zinc/73/95/29/528739529.db2.gz DDFKWPRDVINACJ-UHFFFAOYSA-N -1 3 281.371 3.359 20 0 CGADHM CC(C)[C@H](C(=O)[O-])[C@@H](C)NCc1ccsc1Cl ZINC000424628403 528930602 /nfs/dbraw/zinc/93/06/02/528930602.db2.gz WVDIRWOEXSAOPJ-SCZZXKLOSA-N -1 3 275.801 3.236 20 0 CGADHM CC1(C)CC[C@@H](C(=O)Nc2cc(F)ccc2[O-])C1 ZINC000359358699 529018359 /nfs/dbraw/zinc/01/83/59/529018359.db2.gz IHJBEIKYJYZMMD-SECBINFHSA-N -1 3 251.301 3.296 20 0 CGADHM CCC1(CC)[C@H](NC(=O)c2ccc([O-])c(C)c2)C[C@H]1OC ZINC000436940221 529105578 /nfs/dbraw/zinc/10/55/78/529105578.db2.gz VDWQSLVHRVBWOO-HUUCEWRRSA-N -1 3 291.391 3.024 20 0 CGADHM CC[C@@H](NCc1cc([O-])ccc1Br)C(F)F ZINC000449357793 529181881 /nfs/dbraw/zinc/18/18/81/529181881.db2.gz DRJOHGKFYQWQHJ-SNVBAGLBSA-N -1 3 294.139 3.288 20 0 CGADHM CCS[C@H]1CCC[C@H]1N=c1[n-]c(C(C)=O)c(C)s1 ZINC000450368771 529231213 /nfs/dbraw/zinc/23/12/13/529231213.db2.gz JVTQEULNBSNYOH-MNOVXSKESA-N -1 3 284.450 3.162 20 0 CGADHM CC[C@H]1CCN(C(=O)c2ccc(C(C)C)cc2[O-])C1 ZINC000436579919 529238446 /nfs/dbraw/zinc/23/84/46/529238446.db2.gz VUHXFJQAOFIVNP-LBPRGKRZSA-N -1 3 261.365 3.388 20 0 CGADHM CC[C@H](CC(C)C)C(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000411287689 529310519 /nfs/dbraw/zinc/31/05/19/529310519.db2.gz BMYKYKLUQSWKES-SNVBAGLBSA-N -1 3 276.340 3.076 20 0 CGADHM CC[C@H](CC(C)C)C(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000411287689 529310521 /nfs/dbraw/zinc/31/05/21/529310521.db2.gz BMYKYKLUQSWKES-SNVBAGLBSA-N -1 3 276.340 3.076 20 0 CGADHM CC[C@H](CC(C)C)C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000411287689 529310523 /nfs/dbraw/zinc/31/05/23/529310523.db2.gz BMYKYKLUQSWKES-SNVBAGLBSA-N -1 3 276.340 3.076 20 0 CGADHM CC1(CC(F)(F)F)CN(Cc2c(F)ccc([O-])c2F)C1 ZINC000459631528 535115896 /nfs/dbraw/zinc/11/58/96/535115896.db2.gz CSNXCKYRUDQUKD-UHFFFAOYSA-N -1 3 295.251 3.445 20 0 CGADHM CCc1cc(C(=O)NCc2cc(C)cs2)ccc1[O-] ZINC000456136868 536123718 /nfs/dbraw/zinc/12/37/18/536123718.db2.gz WNHUVIHQNHBUQX-UHFFFAOYSA-N -1 3 275.373 3.255 20 0 CGADHM CC[C@H](c1ccc(F)cc1)N1CCC[C@H](NC(=O)[O-])C1 ZINC000737784551 571810536 /nfs/dbraw/zinc/81/05/36/571810536.db2.gz VRSJADDJALWZIQ-UONOGXRCSA-N -1 3 280.343 3.009 20 0 CGADHM CC(C)(C)C(=O)[N-]OCc1csc(-c2cccs2)n1 ZINC000729263668 571893656 /nfs/dbraw/zinc/89/36/56/571893656.db2.gz GPEAPEDAVJZQAZ-UHFFFAOYSA-N -1 3 296.417 3.466 20 0 CGADHM CC(C)CC[C@H]1CCC[C@H]1[N-]C(=O)C(F)(F)F ZINC000729374209 571903244 /nfs/dbraw/zinc/90/32/44/571903244.db2.gz MWQQXBIOBKUSTK-NXEZZACHSA-N -1 3 251.292 3.270 20 0 CGADHM O=C(c1cc2occc2[n-]1)N1CC2(CC2)c2ccccc21 ZINC000750887448 572331285 /nfs/dbraw/zinc/33/12/85/572331285.db2.gz SCEKTYDDFGQPDO-UHFFFAOYSA-N -1 3 278.311 3.453 20 0 CGADHM Cc1ccc(Cl)cc1NCc1ccc(-c2nnn[n-]2)cc1 ZINC000737343389 572337997 /nfs/dbraw/zinc/33/79/97/572337997.db2.gz OMIUZVRSVRTCEK-UHFFFAOYSA-N -1 3 299.765 3.441 20 0 CGADHM Cc1ccc(Cl)cc1NCc1ccc(-c2nn[n-]n2)cc1 ZINC000737343389 572337998 /nfs/dbraw/zinc/33/79/98/572337998.db2.gz OMIUZVRSVRTCEK-UHFFFAOYSA-N -1 3 299.765 3.441 20 0 CGADHM Fc1cc(-c2nnn[n-]2)ccc1CSc1cccs1 ZINC000737640752 572360511 /nfs/dbraw/zinc/36/05/11/572360511.db2.gz OTKBFNPHRXIENP-UHFFFAOYSA-N -1 3 292.364 3.360 20 0 CGADHM Fc1cc(-c2nn[n-]n2)ccc1CSc1cccs1 ZINC000737640752 572360515 /nfs/dbraw/zinc/36/05/15/572360515.db2.gz OTKBFNPHRXIENP-UHFFFAOYSA-N -1 3 292.364 3.360 20 0 CGADHM CCCCC[C@H](C)CC(=O)Nc1nnc(SC)[n-]1 ZINC000742601798 572365686 /nfs/dbraw/zinc/36/56/86/572365686.db2.gz ILUMIEMJULMXSS-VIFPVBQESA-N -1 3 270.402 3.072 20 0 CGADHM CCCCC[C@H](C)CC(=O)Nc1nc(SC)n[n-]1 ZINC000742601798 572365692 /nfs/dbraw/zinc/36/56/92/572365692.db2.gz ILUMIEMJULMXSS-VIFPVBQESA-N -1 3 270.402 3.072 20 0 CGADHM CCCCC[C@H](C)CC(=O)Nc1n[n-]c(SC)n1 ZINC000742601798 572365693 /nfs/dbraw/zinc/36/56/93/572365693.db2.gz ILUMIEMJULMXSS-VIFPVBQESA-N -1 3 270.402 3.072 20 0 CGADHM c1ccc2c(c1)SC[C@@H]2Nc1ccc(-c2nnn[n-]2)cc1 ZINC000738439663 572376565 /nfs/dbraw/zinc/37/65/65/572376565.db2.gz BDGKTXAIJHCASV-ZDUSSCGKSA-N -1 3 295.371 3.126 20 0 CGADHM c1ccc2c(c1)SC[C@@H]2Nc1ccc(-c2nn[n-]n2)cc1 ZINC000738439663 572376569 /nfs/dbraw/zinc/37/65/69/572376569.db2.gz BDGKTXAIJHCASV-ZDUSSCGKSA-N -1 3 295.371 3.126 20 0 CGADHM C[C@H](c1cccc(Cl)c1)N1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000739178815 572403700 /nfs/dbraw/zinc/40/37/00/572403700.db2.gz SDZJAUUFHSEXSW-GYSYKLTISA-N -1 3 296.798 3.379 20 0 CGADHM COc1ccc(CN(CCC(=O)[O-])Cc2ccccc2)cc1 ZINC000197862912 572423632 /nfs/dbraw/zinc/42/36/32/572423632.db2.gz KIQYNMFUQKGRKP-UHFFFAOYSA-N -1 3 299.370 3.172 20 0 CGADHM CCOC(=O)CCCCOC(=O)c1cc2ccsc2[n-]1 ZINC000740948699 572470415 /nfs/dbraw/zinc/47/04/15/572470415.db2.gz JPCKQYAYSCWFIR-UHFFFAOYSA-N -1 3 295.360 3.120 20 0 CGADHM CCn1nc(C)c(CNCc2ccc([O-])c(Cl)c2)c1C ZINC000733327439 572556262 /nfs/dbraw/zinc/55/62/62/572556262.db2.gz XNKRKMAJLHVFLE-UHFFFAOYSA-N -1 3 293.798 3.169 20 0 CGADHM CC(C)Oc1ccccc1C=Cc1nccc(=O)[n-]1 ZINC000742219783 572559227 /nfs/dbraw/zinc/55/92/27/572559227.db2.gz FBGHGJNMPWRGOD-FPLPWBNLSA-N -1 3 256.305 3.140 20 0 CGADHM O=c1ccnc(C=Cc2ccccc2Br)[n-]1 ZINC000742220241 572559276 /nfs/dbraw/zinc/55/92/76/572559276.db2.gz MHYBMUIJCAQHLJ-WAYWQWQTSA-N -1 3 277.121 3.115 20 0 CGADHM CC(C)OCCCOC(=O)c1cc(-c2cccs2)[n-]n1 ZINC000733450190 572577122 /nfs/dbraw/zinc/57/71/22/572577122.db2.gz OGPFPKXDHJGHKH-UHFFFAOYSA-N -1 3 294.376 3.110 20 0 CGADHM CC(C)OCCCOC(=O)c1cc(-c2cccs2)n[n-]1 ZINC000733450190 572577125 /nfs/dbraw/zinc/57/71/25/572577125.db2.gz OGPFPKXDHJGHKH-UHFFFAOYSA-N -1 3 294.376 3.110 20 0 CGADHM Cc1ccc(C(=O)NCc2c(C)cccc2F)c([O-])c1 ZINC000743720244 572681313 /nfs/dbraw/zinc/68/13/13/572681313.db2.gz WGIJMDLWLYKKOZ-UHFFFAOYSA-N -1 3 273.307 3.078 20 0 CGADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)/C=C/C3CC3)c2)n1 ZINC000744217605 572724925 /nfs/dbraw/zinc/72/49/25/572724925.db2.gz DAIOTJUELUTSJM-BQYQJAHWSA-N -1 3 296.326 3.029 20 0 CGADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)C3CC=CC3)c2)n1 ZINC000744217294 572724964 /nfs/dbraw/zinc/72/49/64/572724964.db2.gz QZEDTUIIAGMFGY-UHFFFAOYSA-N -1 3 296.326 3.029 20 0 CGADHM CC(C)CCCNc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000735796548 572741950 /nfs/dbraw/zinc/74/19/50/572741950.db2.gz DDHHXLUTSBIHCW-UHFFFAOYSA-N -1 3 296.378 3.263 20 0 CGADHM CC(C)CCCNc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000735796548 572741954 /nfs/dbraw/zinc/74/19/54/572741954.db2.gz DDHHXLUTSBIHCW-UHFFFAOYSA-N -1 3 296.378 3.263 20 0 CGADHM C[C@@H](CNc1cccc(F)c1-c1nnn[n-]1)C(C)(C)C ZINC000736024932 572762149 /nfs/dbraw/zinc/76/21/49/572762149.db2.gz CXFLIJWGMQASEU-VIFPVBQESA-N -1 3 277.347 3.100 20 0 CGADHM C[C@@H](CNc1cccc(F)c1-c1nn[n-]n1)C(C)(C)C ZINC000736024932 572762155 /nfs/dbraw/zinc/76/21/55/572762155.db2.gz CXFLIJWGMQASEU-VIFPVBQESA-N -1 3 277.347 3.100 20 0 CGADHM C[C@@H](CSc1ncccc1-c1nnn[n-]1)c1ccccc1 ZINC000736055269 572766380 /nfs/dbraw/zinc/76/63/80/572766380.db2.gz DVDMLUOSRCPCGU-NSHDSACASA-N -1 3 297.387 3.158 20 0 CGADHM C[C@@H](CSc1ncccc1-c1nn[n-]n1)c1ccccc1 ZINC000736055269 572766383 /nfs/dbraw/zinc/76/63/83/572766383.db2.gz DVDMLUOSRCPCGU-NSHDSACASA-N -1 3 297.387 3.158 20 0 CGADHM C[C@H](Sc1ccc(-c2nnn[n-]2)cc1)c1ccncc1 ZINC000736189163 572771179 /nfs/dbraw/zinc/77/11/79/572771179.db2.gz BCFKAYDPAXNSHR-JTQLQIEISA-N -1 3 283.360 3.115 20 0 CGADHM C[C@H](Sc1ccc(-c2nn[n-]n2)cc1)c1ccncc1 ZINC000736189163 572771182 /nfs/dbraw/zinc/77/11/82/572771182.db2.gz BCFKAYDPAXNSHR-JTQLQIEISA-N -1 3 283.360 3.115 20 0 CGADHM C[C@@H]1CCC[C@@H]1Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000736262604 572778329 /nfs/dbraw/zinc/77/83/29/572778329.db2.gz NLWJJKXLZVAZGF-KCJUWKMLSA-N -1 3 277.759 3.121 20 0 CGADHM C[C@@H]1CCC[C@@H]1Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000736262604 572778333 /nfs/dbraw/zinc/77/83/33/572778333.db2.gz NLWJJKXLZVAZGF-KCJUWKMLSA-N -1 3 277.759 3.121 20 0 CGADHM C[C@H]1CN(c2cccc(F)c2-c2nnn[n-]2)c2ccccc21 ZINC000736295966 572779699 /nfs/dbraw/zinc/77/96/99/572779699.db2.gz ZERDYLYLIDOLKY-JTQLQIEISA-N -1 3 295.321 3.261 20 0 CGADHM C[C@H]1CN(c2cccc(F)c2-c2nn[n-]n2)c2ccccc21 ZINC000736295966 572779703 /nfs/dbraw/zinc/77/97/03/572779703.db2.gz ZERDYLYLIDOLKY-JTQLQIEISA-N -1 3 295.321 3.261 20 0 CGADHM O=C(OCCC1CC1)c1cccc(Br)c1[O-] ZINC000744974787 572786778 /nfs/dbraw/zinc/78/67/78/572786778.db2.gz BOQYHHZCTXQXEX-UHFFFAOYSA-N -1 3 285.137 3.112 20 0 CGADHM CC(C)N(CCC(=O)[O-])Cc1cc(Cl)nc(Cl)c1 ZINC000736467845 572794352 /nfs/dbraw/zinc/79/43/52/572794352.db2.gz HKYXGAMSVHOAGG-UHFFFAOYSA-N -1 3 291.178 3.074 20 0 CGADHM C[C@H](N[C@@H]1CCCN(C(=O)[O-])C1)c1cccc(Cl)c1 ZINC000736661031 572803047 /nfs/dbraw/zinc/80/30/47/572803047.db2.gz CNBWOYMWPXWOQP-GXFFZTMASA-N -1 3 282.771 3.133 20 0 CGADHM Cc1ccc(-c2cc(C(=O)OCc3cccc(C)n3)[n-]n2)o1 ZINC000736786329 572813037 /nfs/dbraw/zinc/81/30/37/572813037.db2.gz FXFFWGQJDMGVBW-UHFFFAOYSA-N -1 3 297.314 3.039 20 0 CGADHM Cc1ccc(-c2cc(C(=O)OCc3cccc(C)n3)n[n-]2)o1 ZINC000736786329 572813042 /nfs/dbraw/zinc/81/30/42/572813042.db2.gz FXFFWGQJDMGVBW-UHFFFAOYSA-N -1 3 297.314 3.039 20 0 CGADHM Cc1cc(C)cc([C@H](C)Nc2ccc(-c3nnn[n-]3)cn2)c1 ZINC000737253077 572867805 /nfs/dbraw/zinc/86/78/05/572867805.db2.gz PKFFDYBFJKSNRJ-LBPRGKRZSA-N -1 3 294.362 3.052 20 0 CGADHM Cc1cc(C)cc([C@H](C)Nc2ccc(-c3nn[n-]n3)cn2)c1 ZINC000737253077 572867809 /nfs/dbraw/zinc/86/78/09/572867809.db2.gz PKFFDYBFJKSNRJ-LBPRGKRZSA-N -1 3 294.362 3.052 20 0 CGADHM COC[C@@H](OC(=O)c1cc2ccsc2[n-]1)C(C)C ZINC000747161761 572915282 /nfs/dbraw/zinc/91/52/82/572915282.db2.gz DYGRMUAWQGJAAA-LLVKDONJSA-N -1 3 267.350 3.057 20 0 CGADHM CC[C@@H](C)C[C@@H](C)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000820868979 599067310 /nfs/dbraw/zinc/06/73/10/599067310.db2.gz DGLLQNJWMGQKPR-GHMZBOCLSA-N -1 3 259.357 3.103 20 0 CGADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1NCCC1CC1 ZINC000822718986 599078828 /nfs/dbraw/zinc/07/88/28/599078828.db2.gz XECCCVPTMLXIBS-UHFFFAOYSA-N -1 3 297.284 3.098 20 0 CGADHM CC(C)[C@@H](C)SCCOc1cccc(-c2nnn[n-]2)c1 ZINC000820021701 599129655 /nfs/dbraw/zinc/12/96/55/599129655.db2.gz XPULZEKNDIZKRI-LLVKDONJSA-N -1 3 292.408 3.023 20 0 CGADHM CC(C)[C@@H](C)SCCOc1cccc(-c2nn[n-]n2)c1 ZINC000820021701 599129659 /nfs/dbraw/zinc/12/96/59/599129659.db2.gz XPULZEKNDIZKRI-LLVKDONJSA-N -1 3 292.408 3.023 20 0 CGADHM Fc1ccc(-c2nnn[n-]2)cc1CSCC1CCC1 ZINC000822761192 599226655 /nfs/dbraw/zinc/22/66/55/599226655.db2.gz BKYOEBSZBXXPGM-UHFFFAOYSA-N -1 3 278.356 3.039 20 0 CGADHM Fc1ccc(-c2nn[n-]n2)cc1CSCC1CCC1 ZINC000822761192 599226657 /nfs/dbraw/zinc/22/66/57/599226657.db2.gz BKYOEBSZBXXPGM-UHFFFAOYSA-N -1 3 278.356 3.039 20 0 CGADHM Clc1cccc(NCc2ccc(-c3nnn[n-]3)s2)c1 ZINC000822585525 607310865 /nfs/dbraw/zinc/31/08/65/607310865.db2.gz CFARWSUWYIXBCB-UHFFFAOYSA-N -1 3 291.767 3.194 20 0 CGADHM C[C@@H](c1nc2ccccc2o1)N1CCC[C@H](CC(=O)[O-])C1 ZINC000820199998 598205635 /nfs/dbraw/zinc/20/56/35/598205635.db2.gz SBOKVWDGMYIFBI-NWDGAFQWSA-N -1 3 288.347 3.076 20 0 CGADHM Clc1cccc(-c2nnn[n-]2)c1NCCc1ccccc1 ZINC000737574599 598628869 /nfs/dbraw/zinc/62/88/69/598628869.db2.gz MTWWKFAEKBGCEL-UHFFFAOYSA-N -1 3 299.765 3.175 20 0 CGADHM Clc1cccc(-c2nn[n-]n2)c1NCCc1ccccc1 ZINC000737574599 598628871 /nfs/dbraw/zinc/62/88/71/598628871.db2.gz MTWWKFAEKBGCEL-UHFFFAOYSA-N -1 3 299.765 3.175 20 0 CGADHM Clc1cccc(NCc2ccccc2)c1-c1nnn[n-]1 ZINC000737574621 599319769 /nfs/dbraw/zinc/31/97/69/599319769.db2.gz MYJRLLPYIPRFBY-UHFFFAOYSA-N -1 3 285.738 3.132 20 0 CGADHM Clc1cccc(NCc2ccccc2)c1-c1nn[n-]n1 ZINC000737574621 599319771 /nfs/dbraw/zinc/31/97/71/599319771.db2.gz MYJRLLPYIPRFBY-UHFFFAOYSA-N -1 3 285.738 3.132 20 0 CGADHM C[C@H]1CCC[C@H]1Nc1c(Cl)cccc1-c1nnn[n-]1 ZINC000820697944 599527732 /nfs/dbraw/zinc/52/77/32/599527732.db2.gz OHLCSUZCQHYAQW-GZMMTYOYSA-N -1 3 277.759 3.121 20 0 CGADHM C[C@H]1CCC[C@H]1Nc1c(Cl)cccc1-c1nn[n-]n1 ZINC000820697944 599527734 /nfs/dbraw/zinc/52/77/34/599527734.db2.gz OHLCSUZCQHYAQW-GZMMTYOYSA-N -1 3 277.759 3.121 20 0 CGADHM CCCN(CCC)[C@H](C)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC000829492288 600996759 /nfs/dbraw/zinc/99/67/59/600996759.db2.gz ZEKNXJBQTLKLPO-GFCCVEGCSA-N -1 3 294.395 3.023 20 0 CGADHM Cc1[n-]n(Cc2cccc3cccnc32)c(=O)c1C(C)C ZINC000899348338 620652105 /nfs/dbraw/zinc/65/21/05/620652105.db2.gz VKOYQCXQGAGPGY-HNNXBMFYSA-N -1 3 281.359 3.225 20 0 CGADHM O=C([O-])c1sccc1CN1CCC[C@@H]1c1ccc[nH]1 ZINC000833349088 601808473 /nfs/dbraw/zinc/80/84/73/601808473.db2.gz ZTMMOPIOPUMJJG-GFCCVEGCSA-N -1 3 276.361 3.112 20 0 CGADHM Cc1[n-]n(-c2cccc3ncccc32)c(=O)c1C(C)C ZINC000899347882 620652726 /nfs/dbraw/zinc/65/27/26/620652726.db2.gz INFYHYXILQLAHN-OAHLLOKOSA-N -1 3 267.332 3.230 20 0 CGADHM O=C([O-])CCCN1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000821524126 602342084 /nfs/dbraw/zinc/34/20/84/602342084.db2.gz CGOBECBYYXYWEH-CYBMUJFWSA-N -1 3 288.347 3.220 20 0 CGADHM Cc1ccccc1[C@H](C)NCc1ccc(NC(=O)[O-])nc1 ZINC000830552679 603532963 /nfs/dbraw/zinc/53/29/63/603532963.db2.gz AMEKFAPOVRJMGQ-LBPRGKRZSA-N -1 3 285.347 3.331 20 0 CGADHM Cc1ccc(CNCc2cccc3c2N(C(=O)[O-])CC3)cc1 ZINC000830325116 603847159 /nfs/dbraw/zinc/84/71/59/603847159.db2.gz XRAKNBDRBKRJCJ-UHFFFAOYSA-N -1 3 296.370 3.325 20 0 CGADHM CCc1ccc([C@@H](C)N[C@@H](C(=O)[O-])c2cccnc2)cc1 ZINC000830238975 604986248 /nfs/dbraw/zinc/98/62/48/604986248.db2.gz VAJRBEXEYDFSTC-MLGOLLRUSA-N -1 3 284.359 3.121 20 0 CGADHM Cc1cccc([C@@H](C)N[C@@H](C(=O)[O-])c2cccnc2)c1C ZINC000832965879 605002425 /nfs/dbraw/zinc/00/24/25/605002425.db2.gz GSCSDKGPFSCQKN-CZUORRHYSA-N -1 3 284.359 3.175 20 0 CGADHM CC(C)c1nc([C@H](C)NC2CCN(C(=O)[O-])CC2)cs1 ZINC000824483347 605235953 /nfs/dbraw/zinc/23/59/53/605235953.db2.gz ZPKGPWUOKPLSNK-JTQLQIEISA-N -1 3 297.424 3.060 20 0 CGADHM Clc1ccc(-c2nnn[n-]2)c(NC(C2CC2)C2CC2)c1 ZINC000822567425 606446541 /nfs/dbraw/zinc/44/65/41/606446541.db2.gz BCQMHCBIBWKBFU-UHFFFAOYSA-N -1 3 289.770 3.121 20 0 CGADHM Clc1ccc(-c2nn[n-]n2)c(NC(C2CC2)C2CC2)c1 ZINC000822567425 606446543 /nfs/dbraw/zinc/44/65/43/606446543.db2.gz BCQMHCBIBWKBFU-UHFFFAOYSA-N -1 3 289.770 3.121 20 0 CGADHM Cc1ccc(NCc2ccccc2-c2nnn[n-]2)cc1Cl ZINC000822259301 606632716 /nfs/dbraw/zinc/63/27/16/606632716.db2.gz SXBULFNFHBEAJZ-UHFFFAOYSA-N -1 3 299.765 3.441 20 0 CGADHM Cc1ccc(NCc2ccccc2-c2nn[n-]n2)cc1Cl ZINC000822259301 606632717 /nfs/dbraw/zinc/63/27/17/606632717.db2.gz SXBULFNFHBEAJZ-UHFFFAOYSA-N -1 3 299.765 3.441 20 0 CGADHM Cc1c(Cl)cccc1NCc1ccccc1-c1nnn[n-]1 ZINC000822034463 606636526 /nfs/dbraw/zinc/63/65/26/606636526.db2.gz DUXJLAZAZJSBGR-UHFFFAOYSA-N -1 3 299.765 3.441 20 0 CGADHM Cc1c(Cl)cccc1NCc1ccccc1-c1nn[n-]n1 ZINC000822034463 606636527 /nfs/dbraw/zinc/63/65/27/606636527.db2.gz DUXJLAZAZJSBGR-UHFFFAOYSA-N -1 3 299.765 3.441 20 0 CGADHM Cc1cccc(Cl)c1NCc1ccccc1-c1nnn[n-]1 ZINC000822303886 606639149 /nfs/dbraw/zinc/63/91/49/606639149.db2.gz NCJSRWHHYBDCTJ-UHFFFAOYSA-N -1 3 299.765 3.441 20 0 CGADHM Cc1cccc(Cl)c1NCc1ccccc1-c1nn[n-]n1 ZINC000822303886 606639150 /nfs/dbraw/zinc/63/91/50/606639150.db2.gz NCJSRWHHYBDCTJ-UHFFFAOYSA-N -1 3 299.765 3.441 20 0 CGADHM CCC[C@@H]1C[C@@H]1Nc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000825252776 608230032 /nfs/dbraw/zinc/23/00/32/608230032.db2.gz KBMOQDAIICWVDD-YGRLFVJLSA-N -1 3 294.362 3.015 20 0 CGADHM CCC[C@@H]1C[C@@H]1Nc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000825252776 608230033 /nfs/dbraw/zinc/23/00/33/608230033.db2.gz KBMOQDAIICWVDD-YGRLFVJLSA-N -1 3 294.362 3.015 20 0 CGADHM CC(C)C[C@@H](C)Nc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000824229599 608233881 /nfs/dbraw/zinc/23/38/81/608233881.db2.gz SOONEPFOXXTWLD-LLVKDONJSA-N -1 3 296.378 3.261 20 0 CGADHM CC(C)C[C@@H](C)Nc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000824229599 608233883 /nfs/dbraw/zinc/23/38/83/608233883.db2.gz SOONEPFOXXTWLD-LLVKDONJSA-N -1 3 296.378 3.261 20 0 CGADHM Cc1cccc(N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1F ZINC000826299738 609255216 /nfs/dbraw/zinc/25/52/16/609255216.db2.gz SJNPLPFDVSHWIW-NSHDSACASA-N -1 3 297.337 3.487 20 0 CGADHM Cc1cccc(N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1F ZINC000826299738 609255217 /nfs/dbraw/zinc/25/52/17/609255217.db2.gz SJNPLPFDVSHWIW-NSHDSACASA-N -1 3 297.337 3.487 20 0 CGADHM CC(C)Oc1ccc(NC2CCCC2)cc1-c1nnn[n-]1 ZINC000824329062 609492533 /nfs/dbraw/zinc/49/25/33/609492533.db2.gz GWRHNUIPEKDJRW-UHFFFAOYSA-N -1 3 287.367 3.008 20 0 CGADHM CC(C)Oc1ccc(NC2CCCC2)cc1-c1nn[n-]n1 ZINC000824329062 609492535 /nfs/dbraw/zinc/49/25/35/609492535.db2.gz GWRHNUIPEKDJRW-UHFFFAOYSA-N -1 3 287.367 3.008 20 0 CGADHM O=C(Nc1ncccc1[O-])c1cc(C2CC2)oc1C1CC1 ZINC000935337132 618761618 /nfs/dbraw/zinc/76/16/18/618761618.db2.gz UXWQLXAIVRRLCC-UHFFFAOYSA-N -1 3 284.315 3.387 20 0 CGADHM [O-]c1ccc(Cl)cc1/C=N/CC[C@H]1CCCCO1 ZINC000182203177 619033793 /nfs/dbraw/zinc/03/37/93/619033793.db2.gz YPBVLZYQRCVXNR-BVTUPMQUSA-N -1 3 267.756 3.424 20 0 CGADHM Cc1[n-]n(Cc2cccc(Cl)c2)c(=O)c1C(C)C ZINC000103893734 619120468 /nfs/dbraw/zinc/12/04/68/619120468.db2.gz KPYBQMMLVBTBRI-ZDUSSCGKSA-N -1 3 264.756 3.330 20 0 CGADHM CC(C)Cc1coc([N-]C(=O)c2nc(Cl)cs2)n1 ZINC000894440310 619537842 /nfs/dbraw/zinc/53/78/42/619537842.db2.gz XYUXKHBPXXEDQP-UHFFFAOYSA-N -1 3 285.756 3.235 20 0 CGADHM O=C(C[C@H]1CCC2(CCC2)O1)Nc1cc(Cl)ccc1[O-] ZINC000895845702 619894276 /nfs/dbraw/zinc/89/42/76/619894276.db2.gz IBCMDEXCHZFKRX-LLVKDONJSA-N -1 3 295.766 3.476 20 0 CGADHM CC1(C)CCCC[C@H]1CC(=O)[N-]OCc1ccccn1 ZINC000909544105 620086319 /nfs/dbraw/zinc/08/63/19/620086319.db2.gz IOHXUZBKPAAAML-ZDUSSCGKSA-N -1 3 276.380 3.236 20 0 CGADHM Cc1cccc(CO[N-]C(=O)CC(C)(C)CC(F)F)n1 ZINC000898928650 620608718 /nfs/dbraw/zinc/60/87/18/620608718.db2.gz ISNUEYAFWXXJDV-UHFFFAOYSA-N -1 3 286.322 3.009 20 0 CGADHM O=C([O-])CC1(NCc2ccc(Cl)cc2Cl)CC1 ZINC000901482203 620892995 /nfs/dbraw/zinc/89/29/95/620892995.db2.gz WDGINDZZAXEOEW-UHFFFAOYSA-N -1 3 274.147 3.090 20 0 CGADHM O=C([O-])CC[C@@H]1CCCN(Cc2ccc(C(F)F)nc2)C1 ZINC000901553603 620925427 /nfs/dbraw/zinc/92/54/27/620925427.db2.gz WXJZYDRWCWSOSU-NSHDSACASA-N -1 3 298.333 3.096 20 0 CGADHM CC(C)COc1ccccc1CN(CCC(=O)[O-])C1CC1 ZINC000901973148 621084759 /nfs/dbraw/zinc/08/47/59/621084759.db2.gz YMUTVMOIMDMTQC-UHFFFAOYSA-N -1 3 291.391 3.161 20 0 CGADHM Cc1cccc2c1CC[C@H]2NCc1ccoc1C(=O)[O-] ZINC000902230594 621204202 /nfs/dbraw/zinc/20/42/02/621204202.db2.gz HEDOHADGQAZQFT-CQSZACIVSA-N -1 3 271.316 3.063 20 0 CGADHM CCSCC[C@@H](C)N(C)Cc1ccc(/C=C\C(=O)[O-])o1 ZINC000902524977 621362375 /nfs/dbraw/zinc/36/23/75/621362375.db2.gz WMAIMNLIAQXZKP-QDZRJHCZSA-N -1 3 297.420 3.341 20 0 CGADHM CN(Cc1cc(C(=O)[O-])co1)C(C)(C)c1ccccc1 ZINC000902546799 621371654 /nfs/dbraw/zinc/37/16/54/621371654.db2.gz HGLIHAPLGMHBBQ-UHFFFAOYSA-N -1 3 273.332 3.345 20 0 CGADHM CCc1noc(-c2c[n-]c(=NC(=O)OC(C)(C)C)s2)n1 ZINC000903271199 621656447 /nfs/dbraw/zinc/65/64/47/621656447.db2.gz KMAXWVDKJBDPGP-UHFFFAOYSA-N -1 3 296.352 3.103 20 0 CGADHM CC[C@H](CNCc1ncc(-c2ccccc2)s1)C(=O)[O-] ZINC000903705649 621794175 /nfs/dbraw/zinc/79/41/75/621794175.db2.gz PHNFLLXKRKDRHL-LLVKDONJSA-N -1 3 290.388 3.011 20 0 CGADHM CC(C)(C)C[C@H](CC(=O)[O-])NCc1nc2ccccc2o1 ZINC000904010080 621854554 /nfs/dbraw/zinc/85/45/54/621854554.db2.gz DHFXRPSMKPVTMA-NSHDSACASA-N -1 3 290.363 3.197 20 0 CGADHM O=C([O-])[C@H](NC/C=C\Cl)c1cccc(C(F)(F)F)c1 ZINC000905403141 622067428 /nfs/dbraw/zinc/06/74/28/622067428.db2.gz LEFGNISSBLGVSK-XJIUSYNZSA-N -1 3 293.672 3.173 20 0 CGADHM Cc1ccc2c(c1)[C@@H](NCc1ccc(C(=O)[O-])cn1)[C@H](C)C2 ZINC000905726966 622100907 /nfs/dbraw/zinc/10/09/07/622100907.db2.gz BPYZFRZAYRGHRZ-PXAZEXFGSA-N -1 3 296.370 3.111 20 0 CGADHM O=C([N-]OCCC(F)(F)F)C1(C2CCCCC2)CC1 ZINC000907544841 622301321 /nfs/dbraw/zinc/30/13/21/622301321.db2.gz WQQOEWJRPXVDKU-UHFFFAOYSA-N -1 3 279.302 3.347 20 0 CGADHM O=C(CC(F)(F)C(F)F)Nc1c([O-])cccc1Cl ZINC000908415459 622348938 /nfs/dbraw/zinc/34/89/38/622348938.db2.gz VFGSMYRVINICMS-UHFFFAOYSA-N -1 3 285.624 3.275 20 0 CGADHM O=C(Nc1ncccc1[O-])c1ccc(SC(F)F)cc1 ZINC000045767043 622896586 /nfs/dbraw/zinc/89/65/86/622896586.db2.gz QLTHMLXHRMWLJN-UHFFFAOYSA-N -1 3 296.298 3.354 20 0 CGADHM CC[C@H]([N-]C(=O)C(F)(F)C(F)F)c1ccc(C)cc1 ZINC000226598168 622982283 /nfs/dbraw/zinc/98/22/83/622982283.db2.gz OLDPEIQPLYDXIT-JTQLQIEISA-N -1 3 277.261 3.463 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-]c2cc(C)cnc2Cl)cc1 ZINC000230406179 623238119 /nfs/dbraw/zinc/23/81/19/623238119.db2.gz CZTRGIWIURANDZ-UHFFFAOYSA-N -1 3 296.779 3.153 20 0 CGADHM O=C(OCC1CCCC1)c1cc(-c2ccco2)[n-]n1 ZINC000918506124 624350691 /nfs/dbraw/zinc/35/06/91/624350691.db2.gz KEFGTBIMHZTADN-UHFFFAOYSA-N -1 3 260.293 3.017 20 0 CGADHM O=C(OCC1CCCC1)c1cc(-c2ccco2)n[n-]1 ZINC000918506124 624350693 /nfs/dbraw/zinc/35/06/93/624350693.db2.gz KEFGTBIMHZTADN-UHFFFAOYSA-N -1 3 260.293 3.017 20 0 CGADHM O=C([N-]OCc1ccc(F)cc1)c1c(F)ccc(F)c1F ZINC000772243316 625758700 /nfs/dbraw/zinc/75/87/00/625758700.db2.gz WNYTWVFYBDMMHR-UHFFFAOYSA-N -1 3 299.223 3.105 20 0 CGADHM COc1cccc2cc(C=Cc3nccc(=O)[n-]3)oc21 ZINC000742220901 626174890 /nfs/dbraw/zinc/17/48/90/626174890.db2.gz CUAJIDMCMNIHOX-AATRIKPKSA-N -1 3 268.272 3.107 20 0 CGADHM O=C([N-]OC1CCCCC1)Nc1nc(C(F)(F)F)co1 ZINC000839136435 626322439 /nfs/dbraw/zinc/32/24/39/626322439.db2.gz SNVXYFIQFYLJTN-UHFFFAOYSA-N -1 3 293.245 3.079 20 0 CGADHM O=C(Nc1ccc(Cl)cc1[O-])c1scnc1Cl ZINC000754501190 626573611 /nfs/dbraw/zinc/57/36/11/626573611.db2.gz XCQUMTUYYSXJBH-UHFFFAOYSA-N -1 3 289.143 3.408 20 0 CGADHM O=C(C[C@@H](c1ccc(O)cc1)C1CC1)[N-]OC/C=C/Cl ZINC000839776224 626786825 /nfs/dbraw/zinc/78/68/25/626786825.db2.gz ZAJYMDDQUMJKSX-HIEVZWPSSA-N -1 3 295.766 3.076 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)C[C@H](c1ccc(O)cc1)C1CC1 ZINC000839777103 626787424 /nfs/dbraw/zinc/78/74/24/626787424.db2.gz QUEWRXVDJNHQNV-LRDDRELGSA-N -1 3 291.391 3.370 20 0 CGADHM CCC(=O)CCCOC(=O)c1cc(F)cc(Cl)c1[O-] ZINC000759544445 626905375 /nfs/dbraw/zinc/90/53/75/626905375.db2.gz NNFAECZDYUBFDZ-UHFFFAOYSA-N -1 3 288.702 3.101 20 0 CGADHM Cc1ccc(-c2nc(NC(=O)C=C3CC[C@H](C)C3)n[n-]2)o1 ZINC000764344037 627203669 /nfs/dbraw/zinc/20/36/69/627203669.db2.gz ZQBNLTNHPIKYNM-OHMLCJAVSA-N -1 3 286.335 3.058 20 0 CGADHM CCc1cccc(C(=O)N(CC)CCc2ccccn2)c1[O-] ZINC000764353087 627203756 /nfs/dbraw/zinc/20/37/56/627203756.db2.gz SRHLCTDASAEGHN-UHFFFAOYSA-N -1 3 298.386 3.054 20 0 CGADHM O=c1ccnc(C=Cc2ccc(Br)s2)[n-]1 ZINC000764435456 627207503 /nfs/dbraw/zinc/20/75/03/627207503.db2.gz NAQKMVWTCLXNSA-RQOWECAXSA-N -1 3 283.150 3.177 20 0 CGADHM CC/C=C/CCOC(=O)c1ccc(NC(=O)OC)c([O-])c1 ZINC000767556043 627417019 /nfs/dbraw/zinc/41/70/19/627417019.db2.gz PSCKBGOBEDEENI-SNAWJCMRSA-N -1 3 293.319 3.084 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)Sc2ncnc3ccccc32)n1 ZINC000767939593 627445613 /nfs/dbraw/zinc/44/56/13/627445613.db2.gz MBLYCAQAGNHOSM-SNVBAGLBSA-N -1 3 298.371 3.287 20 0 CGADHM CCCCCC[C@@H](C)CC(=O)[N-]OC1CCOCC1 ZINC000772705070 627817052 /nfs/dbraw/zinc/81/70/52/627817052.db2.gz APXGDBDGPKLDNL-CYBMUJFWSA-N -1 3 271.401 3.210 20 0 CGADHM O=C(Cc1csc2ccccc12)[N-]OC1CCCC1 ZINC000774875748 628046037 /nfs/dbraw/zinc/04/60/37/628046037.db2.gz QZXSMRVMPGGTIG-UHFFFAOYSA-N -1 3 275.373 3.434 20 0 CGADHM O=C(C[C@H]1CCCc2ccccc21)[N-]OC1CCCC1 ZINC000774875331 628046427 /nfs/dbraw/zinc/04/64/27/628046427.db2.gz PHIPFUCHSXHCSC-CQSZACIVSA-N -1 3 273.376 3.487 20 0 CGADHM O=C(OCc1cccc(Cl)n1)c1cccc(Cl)c1[O-] ZINC000775934622 628150661 /nfs/dbraw/zinc/15/06/61/628150661.db2.gz AVWIYKVDRCMENU-UHFFFAOYSA-N -1 3 298.125 3.451 20 0 CGADHM O=c1ccnc(C=Cc2cc(F)cc(Cl)c2)[n-]1 ZINC000776720488 628226945 /nfs/dbraw/zinc/22/69/45/628226945.db2.gz OWLVJYWCPRQUSD-UPHRSURJSA-N -1 3 250.660 3.145 20 0 CGADHM O=[S@](Cc1ccc(CF)cc1)c1ccc([O-])cc1 ZINC000777552350 628282157 /nfs/dbraw/zinc/28/21/57/628282157.db2.gz WJIHFWAOVRWXSU-GOSISDBHSA-N -1 3 264.321 3.170 20 0 CGADHM Cc1ccc2c(CC(=O)[N-]OC3CCCCC3)c[nH]c2c1 ZINC000777957545 628314017 /nfs/dbraw/zinc/31/40/17/628314017.db2.gz HYSAZVSMKQDQET-UHFFFAOYSA-N -1 3 286.375 3.399 20 0 CGADHM CCOc1ccc(CCC(=O)[N-]OC2CCCCC2)cc1 ZINC000777963568 628315974 /nfs/dbraw/zinc/31/59/74/628315974.db2.gz VQQWRBRBQGDOEE-UHFFFAOYSA-N -1 3 291.391 3.398 20 0 CGADHM CC(C)Oc1cccc(CC(=O)[N-]OC2CCCCC2)c1 ZINC000777965332 628316810 /nfs/dbraw/zinc/31/68/10/628316810.db2.gz SFAHFYWYTOKUFP-UHFFFAOYSA-N -1 3 291.391 3.397 20 0 CGADHM O=C(CCC(=O)c1cccc(F)c1)[N-]OC1CCCCC1 ZINC000777965134 628316947 /nfs/dbraw/zinc/31/69/47/628316947.db2.gz YBEGJZVWALJGIJ-UHFFFAOYSA-N -1 3 293.338 3.169 20 0 CGADHM O=C(CCCc1ccsc1)[N-]OCc1ccccc1 ZINC000783033895 628674331 /nfs/dbraw/zinc/67/43/31/628674331.db2.gz PRZASAMWCFXGND-UHFFFAOYSA-N -1 3 275.373 3.319 20 0 CGADHM Cn1cc(C=Cc2nccc(=O)[n-]2)c(C2CCCCC2)n1 ZINC000783710566 628742171 /nfs/dbraw/zinc/74/21/71/628742171.db2.gz IOEMREWADHEAGO-BQYQJAHWSA-N -1 3 284.363 3.134 20 0 CGADHM CC[C@H](C)CCCCC(=O)[N-]OCc1cccnc1 ZINC000784689844 628829896 /nfs/dbraw/zinc/82/98/96/628829896.db2.gz QJYQRUMWFKFORQ-ZDUSSCGKSA-N -1 3 264.369 3.236 20 0 CGADHM O=C(OCc1cnc(Cl)s1)c1cc2occc2[n-]1 ZINC000786028997 628907875 /nfs/dbraw/zinc/90/78/75/628907875.db2.gz BCOFKHUAPMBMER-UHFFFAOYSA-N -1 3 282.708 3.228 20 0 CGADHM CC(C)c1noc([C@@H](C)OC(=O)c2cc3occc3[n-]2)n1 ZINC000786031637 628908660 /nfs/dbraw/zinc/90/86/60/628908660.db2.gz NKHXJFUUKYQVEG-MRVPVSSYSA-N -1 3 289.291 3.185 20 0 CGADHM Cc1nonc1C(=O)[N-]c1ccc(-c2ccco2)cc1F ZINC000786064860 628911844 /nfs/dbraw/zinc/91/18/44/628911844.db2.gz JNGNTTNIBMNRMD-UHFFFAOYSA-N -1 3 287.250 3.029 20 0 CGADHM CCOCCCOC(=O)c1cc2sccc2c([O-])c1 ZINC000786139456 628916446 /nfs/dbraw/zinc/91/64/46/628916446.db2.gz HXDJIBICXHKQMI-UHFFFAOYSA-N -1 3 280.345 3.190 20 0 CGADHM CCC(=O)[C@H](C)OC(=O)c1cc2sccc2c([O-])c1 ZINC000786141908 628916534 /nfs/dbraw/zinc/91/65/34/628916534.db2.gz OGPINDJUVIYZRT-QMMMGPOBSA-N -1 3 278.329 3.131 20 0 CGADHM C[C@@H]([N-]C(=O)C(F)F)c1ccc(F)c(Br)c1 ZINC000787331361 629009053 /nfs/dbraw/zinc/00/90/53/629009053.db2.gz JNBMHTLEPCIKNB-RXMQYKEDSA-N -1 3 296.086 3.031 20 0 CGADHM C/C=C(\CC)C(=O)Nc1ccc(Br)cc1[O-] ZINC000789737603 629165260 /nfs/dbraw/zinc/16/52/60/629165260.db2.gz JZZZIOLSCDNNDE-FPYGCLRLSA-N -1 3 284.153 3.450 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)N2Cc3ccccc3[C@@H](C)C2)n1 ZINC000790267113 629198596 /nfs/dbraw/zinc/19/85/96/629198596.db2.gz LGHCNFPYTBNQGM-WCQYABFASA-N -1 3 283.375 3.171 20 0 CGADHM CCc1cccc(C(=O)Nc2ccc(O)cc2CC)c1[O-] ZINC000791158292 629258562 /nfs/dbraw/zinc/25/85/62/629258562.db2.gz XVBAQZCFVKNSEA-UHFFFAOYSA-N -1 3 285.343 3.475 20 0 CGADHM COC1(COC(=O)c2cccc(Cl)c2[O-])CCCC1 ZINC000791438094 629277935 /nfs/dbraw/zinc/27/79/35/629277935.db2.gz SBSCQRZUPBEGRH-UHFFFAOYSA-N -1 3 284.739 3.162 20 0 CGADHM O=C(Cc1coc2cc(Cl)ccc12)[N-]OCC1CCC1 ZINC000862232861 629327637 /nfs/dbraw/zinc/32/76/37/629327637.db2.gz LPRIVPURELVVAB-UHFFFAOYSA-N -1 3 293.750 3.477 20 0 CGADHM CCCCC[C@@H](CC)C(=O)NCc1ncccc1[O-] ZINC000792619561 629371949 /nfs/dbraw/zinc/37/19/49/629371949.db2.gz LBYNVVBSNNJGGA-GFCCVEGCSA-N -1 3 264.369 3.010 20 0 CGADHM CC/C(=C/C(=O)NCc1ncccc1[O-])c1ccc(C)cc1 ZINC000792621079 629372024 /nfs/dbraw/zinc/37/20/24/629372024.db2.gz RSDWHVFFDFUWFX-KAMYIIQDSA-N -1 3 296.370 3.205 20 0 CGADHM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000863001507 629457119 /nfs/dbraw/zinc/45/71/19/629457119.db2.gz HCVDYFFMTYEOKA-KVFJLYFUSA-N -1 3 299.370 3.087 20 0 CGADHM CC(C)(C)CC(=O)[N-]OCc1cccnc1C(F)(F)F ZINC000863474799 629583486 /nfs/dbraw/zinc/58/34/86/629583486.db2.gz MRBOMDWNABTGJT-UHFFFAOYSA-N -1 3 290.285 3.084 20 0 CGADHM CCc1cccc2c(CC(=O)[N-]OC[C@H](C)CC)c[nH]c21 ZINC000794866701 629591357 /nfs/dbraw/zinc/59/13/57/629591357.db2.gz UZQNQJNSBYQJAD-GFCCVEGCSA-N -1 3 288.391 3.367 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)CCc1cn(C)c2ccccc12 ZINC000794864620 629591384 /nfs/dbraw/zinc/59/13/84/629591384.db2.gz MKXPQIKKRRAXAZ-ZDUSSCGKSA-N -1 3 288.391 3.205 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)CCCc1ccc(F)c(F)c1 ZINC000794871644 629592638 /nfs/dbraw/zinc/59/26/38/629592638.db2.gz RHRNDGLZLGCNJV-LLVKDONJSA-N -1 3 285.334 3.381 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)CCc1ccc(C)cc1C ZINC000794872845 629593397 /nfs/dbraw/zinc/59/33/97/629593397.db2.gz XINIHERVIDHNIL-GFCCVEGCSA-N -1 3 263.381 3.330 20 0 CGADHM CC[C@H](CC(=O)[N-]OCc1ccccc1OC)C(C)C ZINC000799095700 630141703 /nfs/dbraw/zinc/14/17/03/630141703.db2.gz GKKBESRCLUJWFG-CYBMUJFWSA-N -1 3 279.380 3.315 20 0 CGADHM COc1ccccc1CO[N-]C(=O)C[C@H]1CC[C@H](C)C1 ZINC000799095762 630141991 /nfs/dbraw/zinc/14/19/91/630141991.db2.gz SOYQZTUMIBPOGF-STQMWFEESA-N -1 3 277.364 3.069 20 0 CGADHM Cc1ccc(C=Cc2nccc(=O)[n-]2)c(-c2cnn(C)c2)c1 ZINC000802705454 630404355 /nfs/dbraw/zinc/40/43/55/630404355.db2.gz HMLDYBYWAANFHL-AATRIKPKSA-N -1 3 292.342 3.062 20 0 CGADHM CCc1ccccc1OCCC(=O)[N-]OC1CCCC1 ZINC000803030085 630444443 /nfs/dbraw/zinc/44/44/43/630444443.db2.gz IVPBDIGRCWUIIK-UHFFFAOYSA-N -1 3 277.364 3.008 20 0 CGADHM COC1(CCOC(=O)c2cc(Cl)c(Cl)[n-]2)CCC1 ZINC000809047860 630688203 /nfs/dbraw/zinc/68/82/03/630688203.db2.gz DBLCJZFGQKNXGP-UHFFFAOYSA-N -1 3 292.162 3.438 20 0 CGADHM O=C(OC[C@H]1CCCOC1)c1cc2cc(Cl)sc2[n-]1 ZINC000810546057 630890946 /nfs/dbraw/zinc/89/09/46/630890946.db2.gz OLLRDDGAANMIEE-QMMMGPOBSA-N -1 3 299.779 3.466 20 0 CGADHM CC(=O)CCCOC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000810605550 630903031 /nfs/dbraw/zinc/90/30/31/630903031.db2.gz OGAVMIOYYSCLLL-UHFFFAOYSA-N -1 3 285.752 3.409 20 0 CGADHM O=C(Cc1ccc(Cl)cc1Cl)[N-]OC/C=C/Cl ZINC000812400274 631243418 /nfs/dbraw/zinc/24/34/18/631243418.db2.gz ISAQRJGMBRDECS-DAFODLJHSA-N -1 3 294.565 3.336 20 0 CGADHM O=C(Cc1ccc(Cl)c(Cl)c1)[N-]OC/C=C\Cl ZINC000812405954 631247660 /nfs/dbraw/zinc/24/76/60/631247660.db2.gz LMBARTOLOZOQQX-RJRFIUFISA-N -1 3 294.565 3.336 20 0 CGADHM CC1(C)CCC[C@H](CC(=O)[N-]OC/C=C/Cl)C1 ZINC000812408410 631249009 /nfs/dbraw/zinc/24/90/09/631249009.db2.gz SNRBGPDSFHTLDG-TZOMUSMUSA-N -1 3 259.777 3.393 20 0 CGADHM Cc1ccc(CC(=O)Nc2cccc([O-])c2F)c(Cl)n1 ZINC000813501666 631430814 /nfs/dbraw/zinc/43/08/14/631430814.db2.gz AIIJHZNIFCYEHD-UHFFFAOYSA-N -1 3 294.713 3.069 20 0 CGADHM CC(C)(CC(=O)[N-]OCc1ccc(F)cc1)C1CC1 ZINC000816099035 631879826 /nfs/dbraw/zinc/87/98/26/631879826.db2.gz HNZIGKAYJHRZMC-UHFFFAOYSA-N -1 3 265.328 3.200 20 0 CGADHM COc1cccc([C@@H](C)CC(=O)[N-]OCCC2CC2)c1 ZINC000817441628 632159024 /nfs/dbraw/zinc/15/90/24/632159024.db2.gz JIUJDNKXJVIUEA-LBPRGKRZSA-N -1 3 277.364 3.037 20 0 CGADHM CCC(F)(F)C(=O)[N-]Cc1ccccc1OC(F)(F)F ZINC000820105081 632571623 /nfs/dbraw/zinc/57/16/23/632571623.db2.gz XYEUUKYAJBXMFD-UHFFFAOYSA-N -1 3 297.223 3.247 20 0 CGADHM CC(C)(C)c1cnc([N-]C(=O)c2cc(Cl)no2)s1 ZINC000820352261 632610293 /nfs/dbraw/zinc/61/02/93/632610293.db2.gz JDIVPTDPOIUUGN-UHFFFAOYSA-N -1 3 285.756 3.334 20 0 CGADHM CC(C)[C@H]1C[C@@H](C(=O)Nc2c([O-])cccc2Cl)CCO1 ZINC000820558384 632646183 /nfs/dbraw/zinc/64/61/83/632646183.db2.gz QDYLIZRLHLHSEH-GXFFZTMASA-N -1 3 297.782 3.435 20 0 CGADHM O=C(Nc1c([O-])cccc1Cl)C1CC2(CSC2)C1 ZINC000868565522 633336634 /nfs/dbraw/zinc/33/66/34/633336634.db2.gz ALUJCPNCHDXOCI-UHFFFAOYSA-N -1 3 283.780 3.127 20 0 CGADHM CC/C(C)=C\C(=O)Nc1cc(Br)ccc1[O-] ZINC000827807785 633520692 /nfs/dbraw/zinc/52/06/92/633520692.db2.gz KBKDGRBHWJAOSX-VURMDHGXSA-N -1 3 284.153 3.450 20 0 CGADHM CC(C)CCCC(=O)[N-]OCc1ccc(F)cc1 ZINC000828407597 633612008 /nfs/dbraw/zinc/61/20/08/633612008.db2.gz FJIYCFJOHJMUAH-UHFFFAOYSA-N -1 3 253.317 3.200 20 0 CGADHM CC(C)(C)CC(=O)[N-]OCc1cnc(-c2ccccc2)nc1 ZINC000871753600 633852663 /nfs/dbraw/zinc/85/26/63/633852663.db2.gz UDFAEGFJTVOTQV-UHFFFAOYSA-N -1 3 299.374 3.128 20 0 CGADHM CC(C)c1nsc(NCc2c(F)ccc([O-])c2F)n1 ZINC000871866139 633903137 /nfs/dbraw/zinc/90/31/37/633903137.db2.gz KVWKGROWDRMEMJ-UHFFFAOYSA-N -1 3 285.319 3.257 20 0 CGADHM CSC(C)(C)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000831249720 633932460 /nfs/dbraw/zinc/93/24/60/633932460.db2.gz BPUPTFNTPPRLTE-UHFFFAOYSA-N -1 3 259.758 3.126 20 0 CGADHM O=C(CC[C@@H]1CC1(Cl)Cl)Nc1cccc([O-])c1F ZINC000831393821 633951594 /nfs/dbraw/zinc/95/15/94/633951594.db2.gz LGOSPBQHSWSZES-SSDOTTSWSA-N -1 3 292.137 3.444 20 0 CGADHM C[C@H](N[C@H](CCO)c1ccccc1)c1cccc([O-])c1F ZINC000872038666 633958097 /nfs/dbraw/zinc/95/80/97/633958097.db2.gz OPXVNGMODYDBIO-SWLSCSKDSA-N -1 3 289.350 3.306 20 0 CGADHM O=C(c1cc([O-])c2ccccc2c1)N1OC2CCC1CC2 ZINC000831510668 633969391 /nfs/dbraw/zinc/96/93/91/633969391.db2.gz SOQQNRDWKYEOKG-UHFFFAOYSA-N -1 3 283.327 3.244 20 0 CGADHM COc1ccc([C@@H]2C[C@H]2CC(=O)[N-]OC2CCCC2)cc1 ZINC000831702063 633993094 /nfs/dbraw/zinc/99/30/94/633993094.db2.gz KCVLZCRMIHUGML-BBRMVZONSA-N -1 3 289.375 3.179 20 0 CGADHM COc1ccccc1CO[N-]C(=O)[C@@]1(C)CCC[C@@H]1C ZINC000831769929 633997888 /nfs/dbraw/zinc/99/78/88/633997888.db2.gz YJTXPRKKCDZIFM-LRDDRELGSA-N -1 3 277.364 3.069 20 0 CGADHM Cc1ncccc1CN[C@@H](C)c1cccc([O-])c1F ZINC000872089601 634015653 /nfs/dbraw/zinc/01/56/53/634015653.db2.gz ANHBUKQJKLPFEC-NSHDSACASA-N -1 3 260.312 3.086 20 0 CGADHM C[C@H](N[C@@H]1C[C@H]1C(F)(F)F)c1cccc([O-])c1F ZINC000872093630 634018604 /nfs/dbraw/zinc/01/86/04/634018604.db2.gz WEMHOJCOLRJNDR-NBEYISGCSA-N -1 3 263.234 3.133 20 0 CGADHM C[C@H]1CN(Cc2cc(C(=O)[O-])cs2)C[C@H](C)C1(F)F ZINC000872160279 634070277 /nfs/dbraw/zinc/07/02/77/634070277.db2.gz CEGPKNLHRMBYGV-IUCAKERBSA-N -1 3 289.347 3.169 20 0 CGADHM C[C@H]1C[C@@H](NC(=O)c2cc([O-])ccc2Cl)CCS1 ZINC000834651328 634208113 /nfs/dbraw/zinc/20/81/13/634208113.db2.gz VVZBMNQNBKHCTJ-IUCAKERBSA-N -1 3 285.796 3.060 20 0 CGADHM CC(C)(C)CC(=O)[N-]OCc1ccc(OC(F)F)cc1 ZINC000842063160 635272340 /nfs/dbraw/zinc/27/23/40/635272340.db2.gz IYJCPLCMSFTVGY-UHFFFAOYSA-N -1 3 287.306 3.272 20 0 CGADHM O=c1cc(-c2noc(C3CCCCCCC3)n2)nc[n-]1 ZINC000843028494 635546737 /nfs/dbraw/zinc/54/67/37/635546737.db2.gz LEFAUIXPMSRXIB-UHFFFAOYSA-N -1 3 274.324 3.060 20 0 CGADHM CC[C@H]1CCC[C@@]1(C)C(=O)[N-]OCCC(F)(F)F ZINC000879565947 635812895 /nfs/dbraw/zinc/81/28/95/635812895.db2.gz AYRDUENAIIVNIT-GXSJLCMTSA-N -1 3 267.291 3.203 20 0 CGADHM CCCO[N-]C(=O)CCSc1ccc(C)c(C)c1 ZINC000844081278 635815974 /nfs/dbraw/zinc/81/59/74/635815974.db2.gz ZMZKENKIGPBORP-UHFFFAOYSA-N -1 3 267.394 3.243 20 0 CGADHM CCCO[N-]C(=O)C[C@H](C)c1c[nH]c2ccccc21 ZINC000844087445 635818251 /nfs/dbraw/zinc/81/82/51/635818251.db2.gz RPHKLSHIQFXOJU-NSHDSACASA-N -1 3 260.337 3.119 20 0 CGADHM CCC[C@H](C)CCNC(=O)c1c[n-]c2ccccc2c1=O ZINC000881528212 636132521 /nfs/dbraw/zinc/13/25/21/636132521.db2.gz ATCCWKXXIFSYLU-LBPRGKRZSA-N -1 3 286.375 3.084 20 0 CGADHM CCC[C@@H](C)CCNC(=O)Cc1ccc([O-])c(F)c1 ZINC000881531639 636134239 /nfs/dbraw/zinc/13/42/39/636134239.db2.gz KTKFYZDOGLBDNY-LLVKDONJSA-N -1 3 267.344 3.016 20 0 CGADHM F[C@H]1CCc2ccccc2[C@@H]1[N-]c1nnc(C2CC2)o1 ZINC000882991602 636494558 /nfs/dbraw/zinc/49/45/58/636494558.db2.gz DRLDOWFSEBSNBG-STQMWFEESA-N -1 3 273.311 3.385 20 0 CGADHM COc1c(C)cccc1CNCc1c(F)ccc([O-])c1F ZINC000848923004 636694611 /nfs/dbraw/zinc/69/46/11/636694611.db2.gz BLKIIFSAZOKDOW-UHFFFAOYSA-N -1 3 293.313 3.277 20 0 CGADHM O=c1ccnc(C=Cc2csc3ccccc23)[n-]1 ZINC000131792878 636750668 /nfs/dbraw/zinc/75/06/68/636750668.db2.gz SRJADXUJIDJBJZ-AATRIKPKSA-N -1 3 254.314 3.155 20 0 CGADHM CCC(CC)COC(=O)Cc1ccc([O-])c(F)c1 ZINC000849795967 636877772 /nfs/dbraw/zinc/87/77/72/636877772.db2.gz MVUHZSUSHIVFBS-UHFFFAOYSA-N -1 3 254.301 3.053 20 0 CGADHM O=C(OC[C@H](F)C(F)(F)F)c1cccc(Cl)c1[O-] ZINC000800193891 636952898 /nfs/dbraw/zinc/95/28/98/636952898.db2.gz MZMUPJNXZQLWIA-ZETCQYMHSA-N -1 3 286.608 3.103 20 0 CGADHM Cc1cccc([C@@H](C)OC(=O)c2cccc3nn[n-]c32)c1 ZINC000800209640 636958236 /nfs/dbraw/zinc/95/82/36/636958236.db2.gz YPYHJJVRTXRZHY-LLVKDONJSA-N -1 3 281.315 3.184 20 0 CGADHM Cc1cccc([C@@H](C)OC(=O)c2cccc3[n-]nnc32)c1 ZINC000800209640 636958245 /nfs/dbraw/zinc/95/82/45/636958245.db2.gz YPYHJJVRTXRZHY-LLVKDONJSA-N -1 3 281.315 3.184 20 0 CGADHM Cc1cccc([C@@H](C)OC(=O)c2cccc3n[n-]nc32)c1 ZINC000800209640 636958252 /nfs/dbraw/zinc/95/82/52/636958252.db2.gz YPYHJJVRTXRZHY-LLVKDONJSA-N -1 3 281.315 3.184 20 0 CGADHM CC(C)CO[N-]C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000135335840 637118359 /nfs/dbraw/zinc/11/83/59/637118359.db2.gz GMRGSZPADUDDSF-UHFFFAOYSA-N -1 3 276.163 3.240 20 0 CGADHM Nc1ccc(C(=O)N2CC[C@H](C3CCCCC3)C2)c([O-])c1 ZINC000852853422 637719281 /nfs/dbraw/zinc/71/92/81/637719281.db2.gz DPEGBSMJFLIUTQ-ZDUSSCGKSA-N -1 3 288.391 3.017 20 0 CGADHM Cc1cc(F)c(CN[C@@H]2CC=C(C(=O)[O-])C2)c(Cl)c1 ZINC000853037192 637741520 /nfs/dbraw/zinc/74/15/20/637741520.db2.gz DZHJBKAHBYLPQX-SNVBAGLBSA-N -1 3 283.730 3.051 20 0 CGADHM CCc1[n-]n([C@@H]2CC(C)(C)OC2(C)C)c(=O)c1C(C)C ZINC000887297211 637792416 /nfs/dbraw/zinc/79/24/16/637792416.db2.gz WSKYWLMEGIQELC-CHWSQXEVSA-N -1 3 280.412 3.213 20 0 CGADHM Cc1ccc(CC(=O)[N-]OC[C@@H]2CC[C@@H]3C[C@@H]3C2)cc1 ZINC000853661620 637885792 /nfs/dbraw/zinc/88/57/92/637885792.db2.gz PNWSYTGIGRTTQS-OAGGEKHMSA-N -1 3 273.376 3.022 20 0 CGADHM CC(C)[C@H](O)Cc1ccccc1-c1ccc(=O)[n-]c1F ZINC000854188979 638012382 /nfs/dbraw/zinc/01/23/82/638012382.db2.gz FWRBEHDXZLFOAQ-CQSZACIVSA-N -1 3 275.323 3.153 20 0 CGADHM O=c1ccc(-c2ccc(OC[C@@H]3CCCO3)cc2)c(F)[n-]1 ZINC000854189879 638013160 /nfs/dbraw/zinc/01/31/60/638013160.db2.gz RERGVSRQKLSVOS-ZDUSSCGKSA-N -1 3 289.306 3.151 20 0 CGADHM O=C(CCC[C@H](O)c1ccccc1)[N-]OCc1ccccc1 ZINC000854289978 638038807 /nfs/dbraw/zinc/03/88/07/638038807.db2.gz ORTQTRIWUZXFGT-KRWDZBQOSA-N -1 3 299.370 3.138 20 0 CGADHM C[C@H]1CCC[C@@H](CNC(=O)c2cc([O-])c3ccccc3c2)O1 ZINC000855797070 638251507 /nfs/dbraw/zinc/25/15/07/638251507.db2.gz LQTAIETYOVLKHP-WFASDCNBSA-N -1 3 299.370 3.233 20 0 CGADHM CC(C)c1ccc(C(=O)N[C@H]2CCC2(C)C)c([O-])c1 ZINC000857505764 638511507 /nfs/dbraw/zinc/51/15/07/638511507.db2.gz KUWDNMHVASXQEO-AWEZNQCLSA-N -1 3 261.365 3.434 20 0 CGADHM Cc1cccc(C(=O)Nc2cc3c(cn2)CCCC3)c1[O-] ZINC000857512893 638513265 /nfs/dbraw/zinc/51/32/65/638513265.db2.gz DHRXFCFECVHWRK-UHFFFAOYSA-N -1 3 282.343 3.227 20 0 CGADHM Cc1cccc([O-])c1C(=O)N(Cc1ccccn1)CC(C)C ZINC000928741455 638890562 /nfs/dbraw/zinc/89/05/62/638890562.db2.gz CWDQDUXSPXIPAQ-UHFFFAOYSA-N -1 3 298.386 3.394 20 0 CGADHM CC1(C)CN(c2cc(Cl)nc(=O)[n-]2)c2cc(F)ccc21 ZINC000858603840 639000970 /nfs/dbraw/zinc/00/09/70/639000970.db2.gz BPJGQDKVMBJWBZ-UHFFFAOYSA-N -1 3 293.729 3.404 20 0 CGADHM Cc1ccoc1CN(C)C[C@H](C)C(=O)c1ccc([O-])cc1 ZINC000930554341 639024003 /nfs/dbraw/zinc/02/40/03/639024003.db2.gz JHQUGNBBWAYUNV-ZDUSSCGKSA-N -1 3 287.359 3.244 20 0 CGADHM CC(C)(C)c1ccc(CCN2CC[C@@](F)(C(=O)[O-])C2)cc1 ZINC000859810089 639222440 /nfs/dbraw/zinc/22/24/40/639222440.db2.gz GCLDJRWHGIBWBK-KRWDZBQOSA-N -1 3 293.382 3.025 20 0 CGADHM CC(C)CO[N-]C(=O)Cc1coc2cc(Cl)ccc12 ZINC000860344255 639334100 /nfs/dbraw/zinc/33/41/00/639334100.db2.gz IOVWMTIAZUCJIT-UHFFFAOYSA-N -1 3 281.739 3.333 20 0 CGADHM CCc1cc(=O)[n-]c(CN[C@@H](C)c2ccc(F)cc2C)n1 ZINC000932563680 639356109 /nfs/dbraw/zinc/35/61/09/639356109.db2.gz IYFAOXWNMBEQBS-NSHDSACASA-N -1 3 289.354 3.043 20 0 CGADHM O=C(CCc1ccc(Cl)c(F)c1)[N-]OC1CCCC1 ZINC000860602417 639381577 /nfs/dbraw/zinc/38/15/77/639381577.db2.gz QZGHUJHSLNKUJP-UHFFFAOYSA-N -1 3 285.746 3.402 20 0 CGADHM O=C([N-]OC/C=C/Cl)[C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21 ZINC000861782894 639613994 /nfs/dbraw/zinc/61/39/94/639613994.db2.gz NVODFBPPPASTKC-UHIODWBYSA-N -1 3 298.169 3.026 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)CC1CCC(F)(F)CC1 ZINC000861807737 639615398 /nfs/dbraw/zinc/61/53/98/639615398.db2.gz CUMPUJFBBNNOKR-SNVBAGLBSA-N -1 3 263.328 3.296 20 0 CGADHM O=C(CC(C1CCC1)C1CCC1)[N-]OC1CCC1 ZINC000861880625 639622907 /nfs/dbraw/zinc/62/29/07/639622907.db2.gz GAAUFWSOUZGWRD-UHFFFAOYSA-N -1 3 251.370 3.193 20 0 CGADHM COc1ccccc1CO[N-]C(=O)C[C@H]1CCCC1(F)F ZINC000935813210 639863596 /nfs/dbraw/zinc/86/35/96/639863596.db2.gz WOZMVLQLKZGHBI-GFCCVEGCSA-N -1 3 299.317 3.069 20 0 CGADHM Cc1nonc1[N-]C(=O)c1cc2cc(Cl)ccc2o1 ZINC000041311947 639901705 /nfs/dbraw/zinc/90/17/05/639901705.db2.gz FIOKIHHEPNHAKQ-UHFFFAOYSA-N -1 3 277.667 3.030 20 0 CGADHM O=C([O-])C[C@H]1CCCCN1c1ccnc2ccccc21 ZINC000041719933 639907293 /nfs/dbraw/zinc/90/72/93/639907293.db2.gz VTYGSZVAJQCBJN-GFCCVEGCSA-N -1 3 270.332 3.068 20 0 CGADHM CC(C)(C)C1CCC(CC(=O)[N-]OC[C@@H]2CCOC2)CC1 ZINC000187977343 640109847 /nfs/dbraw/zinc/10/98/47/640109847.db2.gz PKOSYXQJSBSZQM-SHARSMKWSA-N -1 3 297.439 3.313 20 0 CGADHM CCc1ccc(C(=O)N(C)OCc2ccccc2)c([O-])c1 ZINC000188512011 640139013 /nfs/dbraw/zinc/13/90/13/640139013.db2.gz YNPWDAZSUROLTH-UHFFFAOYSA-N -1 3 285.343 3.158 20 0 CGADHM O=C(/C=C/c1ccc(Cl)s1)Nc1ncccc1[O-] ZINC000192736103 640401316 /nfs/dbraw/zinc/40/13/16/640401316.db2.gz KFBGPDOGITWJEF-GQCTYLIASA-N -1 3 280.736 3.154 20 0 CGADHM O=C([N-]c1nncs1)c1cc2cccc(Cl)c2o1 ZINC000084522004 640607220 /nfs/dbraw/zinc/60/72/20/640607220.db2.gz RTHGSJJRYWSGRZ-UHFFFAOYSA-N -1 3 279.708 3.190 20 0 CGADHM C[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@@H]2C(=O)Nc2ncccc2[O-])o1 ZINC000956384197 640713986 /nfs/dbraw/zinc/71/39/86/640713986.db2.gz RQMJAMFQYHZPJV-RHYQMDGZSA-N -1 3 298.342 3.246 20 0 CGADHM COc1cc2nc(-c3cc(F)ccc3[O-])[nH]c2cc1C ZINC001250837161 805785904 /nfs/dbraw/zinc/78/59/04/805785904.db2.gz DFWLZCOBEXVIRW-UHFFFAOYSA-N -1 3 272.279 3.392 20 0 CGADHM COc1cc2nc(-c3ccc([O-])cc3F)[nH]c2cc1C ZINC001250846147 805787851 /nfs/dbraw/zinc/78/78/51/805787851.db2.gz QHGPKPOGMWQXRZ-UHFFFAOYSA-N -1 3 272.279 3.392 20 0 CGADHM Cn1c2ccccc2nc1-c1ccc([O-])c2[nH]c(=O)ccc12 ZINC001251312073 805880087 /nfs/dbraw/zinc/88/00/87/805880087.db2.gz YBCOTGYMRDBVPW-UHFFFAOYSA-N -1 3 291.310 3.200 20 0 CGADHM COc1ccc(-c2nnc(-c3cc(OC)ccc3[O-])o2)cc1 ZINC001251954540 805957178 /nfs/dbraw/zinc/95/71/78/805957178.db2.gz JODFKFYTPFBSMF-UHFFFAOYSA-N -1 3 298.298 3.126 20 0 CGADHM [O-]c1ccc(-c2nnc(Cc3ccc(Cl)cc3)o2)nc1 ZINC001254223043 806371527 /nfs/dbraw/zinc/37/15/27/806371527.db2.gz SIBJRYWPIYQRIN-UHFFFAOYSA-N -1 3 287.706 3.081 20 0 CGADHM Cc1ccccc1S(=O)(=O)Nc1cccc([O-])c1Cl ZINC001254602412 806459048 /nfs/dbraw/zinc/45/90/48/806459048.db2.gz WQEYXNKRCBDLTB-UHFFFAOYSA-N -1 3 297.763 3.155 20 0 CGADHM O=c1[n-]c(NCCC(F)(F)F)c(Cl)cc1Cl ZINC001161820341 806464693 /nfs/dbraw/zinc/46/46/93/806464693.db2.gz RAZSJOWJHQAXSM-UHFFFAOYSA-N -1 3 275.057 3.458 20 0 CGADHM Cc1ccc(NC[C@H]2CCCC[C@@H]2C)cc1-c1nnn[n-]1 ZINC001162529487 806612870 /nfs/dbraw/zinc/61/28/70/806612870.db2.gz AWPNQVJLIQFTFJ-WCQYABFASA-N -1 3 285.395 3.413 20 0 CGADHM Cc1ccc(NC[C@H]2CCCC[C@@H]2C)cc1-c1nn[n-]n1 ZINC001162529487 806612876 /nfs/dbraw/zinc/61/28/76/806612876.db2.gz AWPNQVJLIQFTFJ-WCQYABFASA-N -1 3 285.395 3.413 20 0 CGADHM Cc1cnccc1CNc1[n-]c(=O)c(Cl)cc1Cl ZINC001162716333 806651929 /nfs/dbraw/zinc/65/19/29/806651929.db2.gz JVHQGGLAJZOTEW-UHFFFAOYSA-N -1 3 284.146 3.410 20 0 CGADHM CC(C)(C)O[N-]C(=O)CCc1ccc(OC(F)F)cc1 ZINC000125932574 799003735 /nfs/dbraw/zinc/00/37/35/799003735.db2.gz CQQNWUHEBYTTPY-UHFFFAOYSA-N -1 3 287.306 3.067 20 0 CGADHM C[C@@H]1CCC[C@@H](C)N1Cc1cc(F)c([O-])c(F)c1 ZINC000131837749 799030291 /nfs/dbraw/zinc/03/02/91/799030291.db2.gz TYLHFMCOKDIQFI-NXEZZACHSA-N -1 3 255.308 3.433 20 0 CGADHM C[C@@H](N[C@@H]1CCC(C)(C)C1)c1ncc(C(=O)[O-])s1 ZINC000315325126 799235182 /nfs/dbraw/zinc/23/51/82/799235182.db2.gz MAJVFMHGJOOPIU-RKDXNWHRSA-N -1 3 268.382 3.071 20 0 CGADHM CC(C)CC[C@@H](C)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC000315372516 799236426 /nfs/dbraw/zinc/23/64/26/799236426.db2.gz RSQZLWJTUAYAFA-ZJUUUORDSA-N -1 3 270.398 3.317 20 0 CGADHM FC(F)(F)Oc1ccc(-c2ccc(=S)[n-]n2)cc1 ZINC000379199897 799347681 /nfs/dbraw/zinc/34/76/81/799347681.db2.gz YFSUKAWVUXAGKA-UHFFFAOYSA-N -1 3 272.251 3.331 20 0 CGADHM FC(F)(F)c1c[n-]c(=NC[C@H]2CC2(Cl)Cl)s1 ZINC000381487630 799380663 /nfs/dbraw/zinc/38/06/63/799380663.db2.gz KCAONFFNSWQIPE-SCSAIBSYSA-N -1 3 291.125 3.190 20 0 CGADHM CCCc1cc(=O)[n-]c(C(=Cc2ccc(F)nc2)CC)n1 ZINC000588611123 799721404 /nfs/dbraw/zinc/72/14/04/799721404.db2.gz FLMXLDIVHWWMAA-XYOKQWHBSA-N -1 3 287.338 3.207 20 0 CGADHM Cc1cc(C)cc(CNCc2csc(C(=O)[O-])c2)c1 ZINC000689079193 799759396 /nfs/dbraw/zinc/75/93/96/799759396.db2.gz UOKNPSGZYRGYFQ-UHFFFAOYSA-N -1 3 275.373 3.353 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CCC2(CCCC2)C1 ZINC000706655380 799964420 /nfs/dbraw/zinc/96/44/20/799964420.db2.gz KETFSNXWEXUXGG-UHFFFAOYSA-N -1 3 259.349 3.107 20 0 CGADHM C[C@H](c1ccc(C(=O)[O-])o1)N1CC[C@](C)(C(F)(F)F)C1 ZINC000708923952 799999532 /nfs/dbraw/zinc/99/95/32/799999532.db2.gz FUAMXUTVJGNPOW-PELKAZGASA-N -1 3 291.269 3.313 20 0 CGADHM Cc1ccc(C(=O)N2CC[C@@](C)(C(F)(F)F)C2)c([O-])c1 ZINC000709341716 800007303 /nfs/dbraw/zinc/00/73/03/800007303.db2.gz NPLNKLZJFZKUBD-CYBMUJFWSA-N -1 3 287.281 3.115 20 0 CGADHM O=c1[n-]cncc1-c1nnc(-c2ccc3ccccc3c2)o1 ZINC001256030025 806806798 /nfs/dbraw/zinc/80/67/98/806806798.db2.gz OIFGIPPKVANSHW-UHFFFAOYSA-N -1 3 290.282 3.052 20 0 CGADHM O=C(NCC[C@H]1CCCS1)c1cc([O-])ccc1Cl ZINC000715976689 800157466 /nfs/dbraw/zinc/15/74/66/800157466.db2.gz SVGSIOXIOWCVFQ-SNVBAGLBSA-N -1 3 285.796 3.061 20 0 CGADHM O=C(CCc1ccc(Cl)s1)[N-]Oc1ccccc1 ZINC000773465867 800385561 /nfs/dbraw/zinc/38/55/61/800385561.db2.gz MRQYVHZMFZYTGP-UHFFFAOYSA-N -1 3 281.764 3.444 20 0 CGADHM CC(C)c1nc(CNC[C@@H](CC(=O)[O-])C(C)(C)C)cs1 ZINC001116762470 802408015 /nfs/dbraw/zinc/40/80/15/802408015.db2.gz QKARWCKAGWHILI-LLVKDONJSA-N -1 3 298.452 3.493 20 0 CGADHM C[C@@H]1CCN(C(=O)c2ccc(N)cc2[O-])[C@@H]1c1ccccc1 ZINC001119382792 802657458 /nfs/dbraw/zinc/65/74/58/802657458.db2.gz DKMRDKXKWGAITE-PXAZEXFGSA-N -1 3 296.370 3.198 20 0 CGADHM Nc1ccc(Nc2cc(Br)cc(F)c2[O-])cn1 ZINC001201291968 811809841 /nfs/dbraw/zinc/80/98/41/811809841.db2.gz RCSSDBKIHFRCHF-UHFFFAOYSA-N -1 3 298.115 3.015 20 0 CGADHM Cc1nc(OCC(C)C)ccc1-c1ccc(=S)[n-]n1 ZINC001243800085 803017917 /nfs/dbraw/zinc/01/79/17/803017917.db2.gz RJGMUBMBSMBKKP-UHFFFAOYSA-N -1 3 275.377 3.171 20 0 CGADHM CCc1ccnc(-c2ccc([O-])cc2C(F)(F)F)n1 ZINC001205073672 812849030 /nfs/dbraw/zinc/84/90/30/812849030.db2.gz XUQIBZHSVWTPGR-UHFFFAOYSA-N -1 3 268.238 3.430 20 0 CGADHM Cc1cc(F)c2[nH]ccc2c1-c1cccc(-c2nnn[n-]2)c1 ZINC001243885458 803061842 /nfs/dbraw/zinc/06/18/42/803061842.db2.gz HKZBXMCLNZXUOB-UHFFFAOYSA-N -1 3 293.305 3.463 20 0 CGADHM Cc1cc(F)c2[nH]ccc2c1-c1cccc(-c2nn[n-]n2)c1 ZINC001243885458 803061847 /nfs/dbraw/zinc/06/18/47/803061847.db2.gz HKZBXMCLNZXUOB-UHFFFAOYSA-N -1 3 293.305 3.463 20 0 CGADHM COC(=O)c1ncc(-c2c([O-])cccc2Cl)cc1C ZINC001244034323 803152846 /nfs/dbraw/zinc/15/28/46/803152846.db2.gz XMGHZAFZXKGTFK-UHFFFAOYSA-N -1 3 277.707 3.203 20 0 CGADHM O=c1c(-c2c([O-])cccc2Cl)cccn1CC1CC1 ZINC001244047471 803159557 /nfs/dbraw/zinc/15/95/57/803159557.db2.gz HBINIILNFWLXCE-UHFFFAOYSA-N -1 3 275.735 3.284 20 0 CGADHM Fc1cccc(C2CC2)c1-c1ccc(Cc2nnn[n-]2)cc1 ZINC001244120189 803196962 /nfs/dbraw/zinc/19/69/62/803196962.db2.gz NSVDBLMDXQBAIK-UHFFFAOYSA-N -1 3 294.333 3.474 20 0 CGADHM Fc1cccc(C2CC2)c1-c1ccc(Cc2nn[n-]n2)cc1 ZINC001244120189 803196966 /nfs/dbraw/zinc/19/69/66/803196966.db2.gz NSVDBLMDXQBAIK-UHFFFAOYSA-N -1 3 294.333 3.474 20 0 CGADHM Cc1cc2cc(-c3cccc(-c4nnn[n-]4)c3)ccc2[nH]1 ZINC001244243466 803260204 /nfs/dbraw/zinc/26/02/04/803260204.db2.gz YOUYBOWFVJUKNU-UHFFFAOYSA-N -1 3 275.315 3.323 20 0 CGADHM Cc1cc2cc(-c3cccc(-c4nn[n-]n4)c3)ccc2[nH]1 ZINC001244243466 803260208 /nfs/dbraw/zinc/26/02/08/803260208.db2.gz YOUYBOWFVJUKNU-UHFFFAOYSA-N -1 3 275.315 3.323 20 0 CGADHM [O-]c1cc(Cl)ccc1-c1ccc(Cn2cncn2)cc1 ZINC001244470053 803386413 /nfs/dbraw/zinc/38/64/13/803386413.db2.gz XGZPSYKRJCICJQ-UHFFFAOYSA-N -1 3 285.734 3.352 20 0 CGADHM CCOC(=O)c1cc(-c2ccc(Cl)cc2[O-])cnc1F ZINC001244473160 803389443 /nfs/dbraw/zinc/38/94/43/803389443.db2.gz USUIKBDSIWRZHB-UHFFFAOYSA-N -1 3 295.697 3.423 20 0 CGADHM Cc1cc(-c2cc(C(F)(F)F)ncn2)cc([O-])c1F ZINC001244496183 803403762 /nfs/dbraw/zinc/40/37/62/803403762.db2.gz NTDQIIBLDPPCJO-UHFFFAOYSA-N -1 3 272.201 3.316 20 0 CGADHM Cc1cnc(-c2cc(C)c(F)c([O-])c2)nc1NCC1CC1 ZINC001244495247 803404219 /nfs/dbraw/zinc/40/42/19/803404219.db2.gz FATHQSNXCUQRLL-UHFFFAOYSA-N -1 3 287.338 3.427 20 0 CGADHM Cc1cc(-c2cc3c(nn2)CCCC3)cc([O-])c1F ZINC001244506712 803409923 /nfs/dbraw/zinc/40/99/23/803409923.db2.gz IESZMCOZKIZHJQ-UHFFFAOYSA-N -1 3 258.296 3.176 20 0 CGADHM CSc1cnc(-c2cc(C)c(F)c([O-])c2)nc1 ZINC001244507281 803411007 /nfs/dbraw/zinc/41/10/07/803411007.db2.gz LAMUENLYRRVMPW-UHFFFAOYSA-N -1 3 250.298 3.019 20 0 CGADHM COc1nnc(-c2cc(C)c(F)c([O-])c2)c2ccccc21 ZINC001244507005 803411532 /nfs/dbraw/zinc/41/15/32/803411532.db2.gz KLXVRUUYXXCRDE-UHFFFAOYSA-N -1 3 284.290 3.459 20 0 CGADHM Cc1cc(-c2cc3c(cc2F)CC(=O)N3)cc([O-])c1F ZINC001244515257 803414152 /nfs/dbraw/zinc/41/41/52/803414152.db2.gz HKJAIOXYBYBUOG-UHFFFAOYSA-N -1 3 275.254 3.140 20 0 CGADHM COc1ncc(-c2cc(C)c(F)c([O-])c2)c2cc[nH]c21 ZINC001244518289 803415524 /nfs/dbraw/zinc/41/55/24/803415524.db2.gz SMHQRUNSFSEYBQ-UHFFFAOYSA-N -1 3 272.279 3.392 20 0 CGADHM Cc1cc(-c2cnc3ccn(C)c3c2)cc([O-])c1F ZINC001244525254 803418732 /nfs/dbraw/zinc/41/87/32/803418732.db2.gz NJZRQTLEBMBHDF-UHFFFAOYSA-N -1 3 256.280 3.393 20 0 CGADHM Cc1cc(-c2ccc(=S)[nH]n2)cc(Cl)c1[O-] ZINC001244536957 803423670 /nfs/dbraw/zinc/42/36/70/803423670.db2.gz RIGYQIAYFFOSOP-UHFFFAOYSA-N -1 3 252.726 3.100 20 0 CGADHM Cc1cc(-c2cnc3c(c2)OCCO3)cc(Cl)c1[O-] ZINC001244536967 803424054 /nfs/dbraw/zinc/42/40/54/803424054.db2.gz CQCAKIKQWGDMII-UHFFFAOYSA-N -1 3 277.707 3.187 20 0 CGADHM Cc1cc(-c2cc3c(c(F)c2)C(=O)NC3)cc(Cl)c1[O-] ZINC001244548253 803432571 /nfs/dbraw/zinc/43/25/71/803432571.db2.gz ZMYBVCLWDVYGIO-UHFFFAOYSA-N -1 3 291.709 3.404 20 0 CGADHM Cc1cc(-c2cccc3c2CCNC3=O)cc(Cl)c1[O-] ZINC001244548168 803433099 /nfs/dbraw/zinc/43/30/99/803433099.db2.gz VGZCODJSRNMGJL-UHFFFAOYSA-N -1 3 287.746 3.307 20 0 CGADHM COc1cccc(-c2cc(C)c([O-])c(Cl)c2)c1C(N)=O ZINC001244556542 803437014 /nfs/dbraw/zinc/43/70/14/803437014.db2.gz UYZYGKYWCDURSI-UHFFFAOYSA-N -1 3 291.734 3.129 20 0 CGADHM OCc1ccc(-c2ccc3c(c2)[N-]C(=S)C3)c(F)c1F ZINC001244722041 803513267 /nfs/dbraw/zinc/51/32/67/803513267.db2.gz XWZUWRIWMCASQA-UHFFFAOYSA-N -1 3 291.322 3.420 20 0 CGADHM CCCNC(=S)Nc1ccc(C(F)(F)F)cc1[O-] ZINC001244885378 803562679 /nfs/dbraw/zinc/56/26/79/803562679.db2.gz UMECBPUBQCYLDZ-UHFFFAOYSA-N -1 3 278.299 3.107 20 0 CGADHM Cc1ccc(-c2cnc(Cl)cc2C)cc1-c1nnn[n-]1 ZINC001244915890 803575877 /nfs/dbraw/zinc/57/58/77/803575877.db2.gz FGNXQTCSGFQWRF-UHFFFAOYSA-N -1 3 285.738 3.199 20 0 CGADHM Cc1ccc(-c2cnc(Cl)cc2C)cc1-c1nn[n-]n1 ZINC001244915890 803575881 /nfs/dbraw/zinc/57/58/81/803575881.db2.gz FGNXQTCSGFQWRF-UHFFFAOYSA-N -1 3 285.738 3.199 20 0 CGADHM CC(=O)c1ccc(C(=O)N2c3ccccc3C[C@H]2C)cc1[O-] ZINC001135997288 803623878 /nfs/dbraw/zinc/62/38/78/803623878.db2.gz DOZKIIPNIUMWAE-LLVKDONJSA-N -1 3 295.338 3.186 20 0 CGADHM Cc1cccc(NC(=O)c2[n-]cnc2C(F)(F)F)c1C ZINC001136103190 803631194 /nfs/dbraw/zinc/63/11/94/803631194.db2.gz VLFCSLDRTBZUFK-UHFFFAOYSA-N -1 3 283.253 3.298 20 0 CGADHM Cc1cccc(NC(=O)c2nc[n-]c2C(F)(F)F)c1C ZINC001136103190 803631198 /nfs/dbraw/zinc/63/11/98/803631198.db2.gz VLFCSLDRTBZUFK-UHFFFAOYSA-N -1 3 283.253 3.298 20 0 CGADHM CC(=O)Nc1c(C)ccnc1-c1ccc([O-])cc1Cl ZINC001245078384 803634084 /nfs/dbraw/zinc/63/40/84/803634084.db2.gz ICCWHFLLNWNGBO-UHFFFAOYSA-N -1 3 276.723 3.374 20 0 CGADHM CC(=O)c1ccc(C(=O)N[C@@H](C)c2ccc(C)cc2)cc1[O-] ZINC001136178026 803635188 /nfs/dbraw/zinc/63/51/88/803635188.db2.gz JGCVCDBARLSPFM-LBPRGKRZSA-N -1 3 297.354 3.394 20 0 CGADHM COc1cnc(-c2ccc([O-])cc2Cl)nc1NC1CC1 ZINC001245080924 803635339 /nfs/dbraw/zinc/63/53/39/803635339.db2.gz RDCJUMVUJTVXPC-UHFFFAOYSA-N -1 3 291.738 3.086 20 0 CGADHM Cc1cccc([O-])c1C(=O)N[C@@H](C)Cc1ccccc1F ZINC001136366161 803641562 /nfs/dbraw/zinc/64/15/62/803641562.db2.gz XIRJVHNTGPECRT-LBPRGKRZSA-N -1 3 287.334 3.201 20 0 CGADHM CCOc1ccc(Cl)cc1-c1ccc(=S)[n-]n1 ZINC001245105458 803644562 /nfs/dbraw/zinc/64/45/62/803644562.db2.gz RBNLNNJLXDCBQE-UHFFFAOYSA-N -1 3 266.753 3.484 20 0 CGADHM Cc1c(C(=O)[O-])cccc1-c1cncc2cc[nH]c21 ZINC001245301351 803695575 /nfs/dbraw/zinc/69/55/75/803695575.db2.gz SQONQRONLSYRRR-UHFFFAOYSA-N -1 3 252.273 3.237 20 0 CGADHM [O-]c1cc(NC(=S)NCCc2ccccc2)ccc1F ZINC001245320687 803700544 /nfs/dbraw/zinc/70/05/44/803700544.db2.gz JNKLHXYGYMUKBM-UHFFFAOYSA-N -1 3 290.363 3.060 20 0 CGADHM CCc1ccc(C(=O)N[C@@H]2CCC(C)(C)C2)c([O-])c1 ZINC001137597307 803743989 /nfs/dbraw/zinc/74/39/89/803743989.db2.gz UXITXRPKJAESAB-GFCCVEGCSA-N -1 3 261.365 3.263 20 0 CGADHM Nc1ccc2cn(-c3ccc([O-])c(F)c3F)nc2c1Cl ZINC001212016551 814967758 /nfs/dbraw/zinc/96/77/58/814967758.db2.gz VVFILIDTUVQSEB-UHFFFAOYSA-N -1 3 295.676 3.245 20 0 CGADHM CCC(=O)NCc1cccc(-c2c([O-])cccc2F)c1 ZINC001245652455 803883055 /nfs/dbraw/zinc/88/30/55/803883055.db2.gz BJVGOYRPOIJDQN-UHFFFAOYSA-N -1 3 273.307 3.225 20 0 CGADHM CN1Cc2ccc(-c3c([O-])cccc3F)cc2NC1=O ZINC001245653838 803885063 /nfs/dbraw/zinc/88/50/63/803885063.db2.gz GABIFTLLCFFAPW-UHFFFAOYSA-N -1 3 272.279 3.176 20 0 CGADHM CC(C)S(=O)(=O)c1ccccc1-c1c([O-])cccc1F ZINC001245653529 803885211 /nfs/dbraw/zinc/88/52/11/803885211.db2.gz NEADXXJNQOWHJI-UHFFFAOYSA-N -1 3 294.347 3.380 20 0 CGADHM Cc1ncc2ccc(-c3c([O-])cccc3F)cc2n1 ZINC001245655800 803887875 /nfs/dbraw/zinc/88/78/75/803887875.db2.gz NAOHDQQOARQKJH-UHFFFAOYSA-N -1 3 254.264 3.450 20 0 CGADHM CN1Cc2cccc(-c3c([O-])cccc3F)c2NC1=O ZINC001245658066 803891876 /nfs/dbraw/zinc/89/18/76/803891876.db2.gz YXNIIFUUNGTIEQ-UHFFFAOYSA-N -1 3 272.279 3.176 20 0 CGADHM Cc1cnc(-c2cc(Cl)c([O-])cc2F)cc1N ZINC001245669207 803897567 /nfs/dbraw/zinc/89/75/67/803897567.db2.gz OAWBFXHQRLKWBL-UHFFFAOYSA-N -1 3 252.676 3.137 20 0 CGADHM CCc1ccc(C(=O)N[C@H]2C[C@@H]2c2cccc(F)c2)c([O-])c1 ZINC001139892492 804319415 /nfs/dbraw/zinc/31/94/15/804319415.db2.gz SRMBUDITNSEJCN-CVEARBPZSA-N -1 3 299.345 3.380 20 0 CGADHM CCN(Cc1[nH]c(C)c(C(=O)[O-])c1C)Cc1ccccc1 ZINC001140494181 804446873 /nfs/dbraw/zinc/44/68/73/804446873.db2.gz YZZAXHYBBOLNOK-UHFFFAOYSA-N -1 3 286.375 3.352 20 0 CGADHM S=C1Cc2ccc(NCCCc3ccncc3)cc2[N-]1 ZINC001165583801 807011517 /nfs/dbraw/zinc/01/15/17/807011517.db2.gz FSVBLKXPSKQKGM-UHFFFAOYSA-N -1 3 283.400 3.422 20 0 CGADHM [O-]c1c(F)cc(F)cc1Nc1cc2ccccn2n1 ZINC001212483970 815035812 /nfs/dbraw/zinc/03/58/12/815035812.db2.gz BKNSKCZYGABNKL-UHFFFAOYSA-N -1 3 261.231 3.062 20 0 CGADHM [O-]c1cc(Cl)c(CN2C[C@H]3CC[C@@H](C2)O3)c(Cl)c1 ZINC001142105782 804694831 /nfs/dbraw/zinc/69/48/31/804694831.db2.gz NJFAONOZPGVNTL-AOOOYVTPSA-N -1 3 288.174 3.062 20 0 CGADHM CC1(C)CN(Cc2c(Cl)cc([O-])cc2Cl)CCO1 ZINC001142106035 804695054 /nfs/dbraw/zinc/69/50/54/804695054.db2.gz XCWCOOBELJGJJG-UHFFFAOYSA-N -1 3 290.190 3.310 20 0 CGADHM C[C@@H]1C[C@H](O)CCN1Cc1c(Cl)cc([O-])cc1Cl ZINC001142115052 804696255 /nfs/dbraw/zinc/69/62/55/804696255.db2.gz VHGNSTRHHGRLHC-RKDXNWHRSA-N -1 3 290.190 3.044 20 0 CGADHM [O-]c1c(F)cc(F)cc1Nc1cnc2ccc(Cl)nn12 ZINC001212479644 815035460 /nfs/dbraw/zinc/03/54/60/815035460.db2.gz JLEQOJBCCRSUHF-UHFFFAOYSA-N -1 3 296.664 3.110 20 0 CGADHM CC1CCN(Cc2ccc(Cl)cc2C(=O)[O-])CC1 ZINC001142643221 804746723 /nfs/dbraw/zinc/74/67/23/804746723.db2.gz LRLVFINRZOMPFD-UHFFFAOYSA-N -1 3 267.756 3.270 20 0 CGADHM Cc1cccc(-c2noc(Cc3ccc([O-])c(F)c3)n2)c1 ZINC001247565338 804776008 /nfs/dbraw/zinc/77/60/08/804776008.db2.gz TZVWKRWNWKSSLY-UHFFFAOYSA-N -1 3 284.290 3.481 20 0 CGADHM Cc1ccccc1-c1noc(Cc2ccc([O-])cc2F)n1 ZINC001248142063 804886486 /nfs/dbraw/zinc/88/64/86/804886486.db2.gz KIAPVWXKRAEBJA-UHFFFAOYSA-N -1 3 284.290 3.481 20 0 CGADHM [O-]c1cc(Nc2cnn(CC(F)(F)F)c2)c(F)cc1F ZINC001248663506 804964701 /nfs/dbraw/zinc/96/47/01/804964701.db2.gz WXRCDFZGKQWETR-UHFFFAOYSA-N -1 3 293.195 3.173 20 0 CGADHM O=c1cc(Nc2cc3cccnc3[nH]2)[n-]n1-c1ccccc1 ZINC001248703283 804970584 /nfs/dbraw/zinc/97/05/84/804970584.db2.gz HOSOVJDCSUBLHJ-UHFFFAOYSA-N -1 3 291.314 3.198 20 0 CGADHM C[C@@H]1CCCN(Cc2cc(F)c([O-])cc2F)[C@@H]1C ZINC001144666707 805027526 /nfs/dbraw/zinc/02/75/26/805027526.db2.gz MSOZGGOTCXCRAM-NXEZZACHSA-N -1 3 255.308 3.291 20 0 CGADHM COc1ccc(C(=O)NCc2ccc3occc3c2)c([O-])c1 ZINC001146506737 805071732 /nfs/dbraw/zinc/07/17/32/805071732.db2.gz AVIYGCMZHZBPCK-UHFFFAOYSA-N -1 3 297.310 3.077 20 0 CGADHM FC(F)(F)c1cnccc1N=c1cccc2s[n-]nc1-2 ZINC001249594335 805185453 /nfs/dbraw/zinc/18/54/53/805185453.db2.gz QDBBXVQIBIGBFY-UHFFFAOYSA-N -1 3 296.277 3.271 20 0 CGADHM Cc1c(N)c(F)ccc1Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001249633870 805194846 /nfs/dbraw/zinc/19/48/46/805194846.db2.gz HGDMYCYQFMERDV-UHFFFAOYSA-N -1 3 298.321 3.351 20 0 CGADHM C[C@H]1CCCCCN1Cc1ccc(F)c(C(=O)[O-])c1F ZINC001249769904 805239832 /nfs/dbraw/zinc/23/98/32/805239832.db2.gz RADUUVLHTUEAOO-JTQLQIEISA-N -1 3 283.318 3.428 20 0 CGADHM Cc1cc(F)c(CC(=O)Nc2cccc([O-])c2F)cc1F ZINC001151093357 805281513 /nfs/dbraw/zinc/28/15/13/805281513.db2.gz SRPPHBZIWLTPMJ-UHFFFAOYSA-N -1 3 295.260 3.299 20 0 CGADHM CCc1ccc(C(=O)N[C@H](C)c2cnc(C)s2)c([O-])c1 ZINC001151123908 805282989 /nfs/dbraw/zinc/28/29/89/805282989.db2.gz FTFKYIGFAWLFLE-SECBINFHSA-N -1 3 290.388 3.211 20 0 CGADHM COc1cc(C(C)=O)ccc1Nc1cccc([O-])c1F ZINC001212550455 815064028 /nfs/dbraw/zinc/06/40/28/815064028.db2.gz NTASMRBAGYUAFN-UHFFFAOYSA-N -1 3 275.279 3.486 20 0 CGADHM CC(=O)c1ccc(Nc2cccc([O-])c2F)cc1O ZINC001212551206 815064482 /nfs/dbraw/zinc/06/44/82/815064482.db2.gz FXCSVIWXXRVUBY-UHFFFAOYSA-N -1 3 261.252 3.183 20 0 CGADHM Cc1nc2ccc(N)cc2n1-c1cc(Cl)c([O-])cc1F ZINC001250022570 805373246 /nfs/dbraw/zinc/37/32/46/805373246.db2.gz NGXPISKORWZMAP-UHFFFAOYSA-N -1 3 291.713 3.414 20 0 CGADHM CCc1nnc([N-]c2cccc(Cl)c2C(=O)OC)s1 ZINC001250144509 805442714 /nfs/dbraw/zinc/44/27/14/805442714.db2.gz YIUMZKOYEKHMKT-UHFFFAOYSA-N -1 3 297.767 3.284 20 0 CGADHM [O-]c1cc(Nc2cccnc2-n2cccn2)ccc1Cl ZINC001212587951 815077235 /nfs/dbraw/zinc/07/72/35/815077235.db2.gz BTAICMJGHVKSRC-UHFFFAOYSA-N -1 3 286.722 3.370 20 0 CGADHM CCc1cc(Nc2ncc(F)cc2[O-])ccc1OC ZINC001250174547 805460750 /nfs/dbraw/zinc/46/07/50/805460750.db2.gz INYVHFJNDRDUQM-UHFFFAOYSA-N -1 3 262.284 3.241 20 0 CGADHM [O-]c1c(Cl)cccc1C[C@H]1COc2ccccc2O1 ZINC001250176496 805464428 /nfs/dbraw/zinc/46/44/28/805464428.db2.gz PSHIXWVYFJSLRT-NSHDSACASA-N -1 3 276.719 3.428 20 0 CGADHM [O-]c1cc(Nc2cncnc2Cl)ccc1Cl ZINC001212588681 815078394 /nfs/dbraw/zinc/07/83/94/815078394.db2.gz YHSXCRMFGKQOED-UHFFFAOYSA-N -1 3 256.092 3.233 20 0 CGADHM [O-]c1cc(Nc2cc(Cl)nc3ccnn32)ccc1Cl ZINC001212591525 815079412 /nfs/dbraw/zinc/07/94/12/815079412.db2.gz QNEQZTYPUJXKLC-UHFFFAOYSA-N -1 3 295.129 3.485 20 0 CGADHM O=C1COc2c(Nc3ccc(Cl)c([O-])c3)cccc2N1 ZINC001212592290 815080266 /nfs/dbraw/zinc/08/02/66/815080266.db2.gz IIVZGVDUZUPHMS-UHFFFAOYSA-N -1 3 290.706 3.120 20 0 CGADHM CCc1nnc2ccc(Nc3ccc(Cl)c([O-])c3)cn21 ZINC001212591208 815080283 /nfs/dbraw/zinc/08/02/83/815080283.db2.gz AHOFMXALRJGWIW-UHFFFAOYSA-N -1 3 288.738 3.394 20 0 CGADHM Nc1cccc2c1N(c1ccc(Cl)c([O-])c1)CC2 ZINC001212595530 815081273 /nfs/dbraw/zinc/08/12/73/815081273.db2.gz YBBWXTKCFXRAQL-UHFFFAOYSA-N -1 3 260.724 3.322 20 0 CGADHM O=C(Cc1cccc(F)c1[O-])c1ccc(F)cc1F ZINC001250250209 805521544 /nfs/dbraw/zinc/52/15/44/805521544.db2.gz CULDGCAFJXXKTG-UHFFFAOYSA-N -1 3 266.218 3.235 20 0 CGADHM [O-]c1cc(F)c(F)cc1Nc1c(F)ccc(CO)c1F ZINC001250259306 805528743 /nfs/dbraw/zinc/52/87/43/805528743.db2.gz MCYDQTHFMUOGRL-UHFFFAOYSA-N -1 3 287.212 3.185 20 0 CGADHM CC(=O)Nc1ccc([N-]c2nnc(C(C)(C)C)o2)cc1F ZINC001212699971 815106688 /nfs/dbraw/zinc/10/66/88/815106688.db2.gz MYVHPZGKNMNNPS-UHFFFAOYSA-N -1 3 292.314 3.208 20 0 CGADHM [O-]c1cncc(-c2nc(-c3cc(Cl)ccc3F)no2)c1 ZINC001212708995 815110034 /nfs/dbraw/zinc/11/00/34/815110034.db2.gz YZXQSDQLTNGHFP-UHFFFAOYSA-N -1 3 291.669 3.297 20 0 CGADHM COC(=O)c1oc2cccc(F)c2c1[N-]c1conc1C ZINC001212719364 815113190 /nfs/dbraw/zinc/11/31/90/815113190.db2.gz JGBYAXWNCBMVJW-UHFFFAOYSA-N -1 3 290.250 3.399 20 0 CGADHM COc1ccc([O-])c(-c2nnc(CCC(C)C)o2)c1 ZINC001258263815 807387926 /nfs/dbraw/zinc/38/79/26/807387926.db2.gz FERWVCBWVIOIFY-UHFFFAOYSA-N -1 3 262.309 3.039 20 0 CGADHM Cc1cccc([O-])c1-c1nnc(Cc2cccc(F)c2)o1 ZINC001258570925 807493553 /nfs/dbraw/zinc/49/35/53/807493553.db2.gz BTVYPFSUOVRIFW-UHFFFAOYSA-N -1 3 284.290 3.481 20 0 CGADHM [O-]c1c(Cl)cccc1Nc1cc(F)cc(CO)c1 ZINC001212746617 815123521 /nfs/dbraw/zinc/12/35/21/815123521.db2.gz LIJNAONAAFSZGB-UHFFFAOYSA-N -1 3 267.687 3.421 20 0 CGADHM [O-]c1ccc(Nc2cc(F)cc(CO)c2)cc1Cl ZINC001212747800 815123654 /nfs/dbraw/zinc/12/36/54/815123654.db2.gz SXRGTNQJVAHRMO-UHFFFAOYSA-N -1 3 267.687 3.421 20 0 CGADHM Cc1cc(O)cc([O-])c1-c1nnc(CC2CCCC2)o1 ZINC001258695827 807551952 /nfs/dbraw/zinc/55/19/52/807551952.db2.gz ZCUBLLMQBNQTEB-UHFFFAOYSA-N -1 3 274.320 3.189 20 0 CGADHM [O-]c1cccnc1CNc1nc(Cl)nc2ccsc21 ZINC001169727104 807698725 /nfs/dbraw/zinc/69/87/25/807698725.db2.gz NSJYCGMGCMCPRH-UHFFFAOYSA-N -1 3 292.751 3.057 20 0 CGADHM CC[C@@H](C)S(=O)(=O)[N-]c1cc(C)c2ccccc2n1 ZINC001260724198 807700497 /nfs/dbraw/zinc/70/04/97/807700497.db2.gz NESTUDSZXAHWRB-LLVKDONJSA-N -1 3 278.377 3.083 20 0 CGADHM CCn1ccc2cc(NCc3ncccc3[O-])ccc21 ZINC001169736989 807701579 /nfs/dbraw/zinc/70/15/79/807701579.db2.gz NRKMDOYYWQBVFG-UHFFFAOYSA-N -1 3 267.332 3.374 20 0 CGADHM Cc1ccc(NCc2ncccc2[O-])c2ncccc12 ZINC001169732255 807701747 /nfs/dbraw/zinc/70/17/47/807701747.db2.gz JYXVFMAHDHIUNV-UHFFFAOYSA-N -1 3 265.316 3.256 20 0 CGADHM CSc1ccc([O-])c(C(=O)N2CCCSC[C@H]2C)c1 ZINC001262349659 807850869 /nfs/dbraw/zinc/85/08/69/807850869.db2.gz WUNHIZXTQNLLHI-SNVBAGLBSA-N -1 3 297.445 3.082 20 0 CGADHM COC1CCC(=Nc2c(F)cc([O-])cc2F)CC1 ZINC001212885115 815176416 /nfs/dbraw/zinc/17/64/16/815176416.db2.gz VGLFJPDDIRXOJW-SNVBAGLBSA-N -1 3 255.264 3.165 20 0 CGADHM Cc1nc2cc([N-]c3nnc(C(C)C)o3)ccc2[nH]1 ZINC001213070351 815218660 /nfs/dbraw/zinc/21/86/60/815218660.db2.gz LYSXPCSRVNTJNM-UHFFFAOYSA-N -1 3 257.297 3.121 20 0 CGADHM [O-]c1cc(Br)cnc1Nc1cccc(F)c1 ZINC001173832464 808697192 /nfs/dbraw/zinc/69/71/92/808697192.db2.gz PWQAIYJRTUSDRT-UHFFFAOYSA-N -1 3 283.100 3.432 20 0 CGADHM COc1cccc(OC)c1[N-]c1noc(C(C)(C)C)n1 ZINC001173921438 808761508 /nfs/dbraw/zinc/76/15/08/808761508.db2.gz BJGCZGNAOYHMGP-UHFFFAOYSA-N -1 3 277.324 3.128 20 0 CGADHM [O-]c1cc(Nc2ccc3c(c2)CCO3)c(F)cc1F ZINC001174011190 808820853 /nfs/dbraw/zinc/82/08/53/808820853.db2.gz ZCWFDVHGKMBTBM-UHFFFAOYSA-N -1 3 263.243 3.349 20 0 CGADHM Cc1ccc(Nc2ccc(C(N)=O)c([O-])c2)c(Cl)c1 ZINC001174045468 808843301 /nfs/dbraw/zinc/84/33/01/808843301.db2.gz GOTQLYHYGRCIRN-UHFFFAOYSA-N -1 3 276.723 3.197 20 0 CGADHM COc1cncc(Nc2cccc([O-])c2Cl)c1 ZINC001174090675 808857839 /nfs/dbraw/zinc/85/78/39/808857839.db2.gz GINHQKXLFKKYFS-UHFFFAOYSA-N -1 3 250.685 3.193 20 0 CGADHM O=c1cc(Nc2cccc(-c3cc[nH]n3)c2)nc(C2CC2)[n-]1 ZINC001174506750 809053302 /nfs/dbraw/zinc/05/33/02/809053302.db2.gz VMDHKGJMADLIDO-UHFFFAOYSA-N -1 3 293.330 3.193 20 0 CGADHM COc1cc(Nc2ccc([O-])c(F)c2F)ccc1O ZINC001174542596 809075277 /nfs/dbraw/zinc/07/52/77/809075277.db2.gz XQEQJQSOWGDJNX-UHFFFAOYSA-N -1 3 267.231 3.128 20 0 CGADHM [O-]c1c(F)cc(Nc2cccc3nccn32)cc1F ZINC001213370989 815270761 /nfs/dbraw/zinc/27/07/61/815270761.db2.gz RBAPKOJKKQLTTO-UHFFFAOYSA-N -1 3 261.231 3.062 20 0 CGADHM Cc1nc(Cl)ncc1Nc1cc(F)c([O-])c(F)c1 ZINC001213373343 815272154 /nfs/dbraw/zinc/27/21/54/815272154.db2.gz DKELVVDBJBBWLV-UHFFFAOYSA-N -1 3 271.654 3.166 20 0 CGADHM CC1(C)Cc2ccccc2N1Cc1cc(=O)[n-]c(C2CC2)n1 ZINC001175070454 809259378 /nfs/dbraw/zinc/25/93/78/809259378.db2.gz UZOHKDJOICQZOK-UHFFFAOYSA-N -1 3 295.386 3.401 20 0 CGADHM O=C1OCc2c1cccc2Nc1c(F)cc([O-])cc1F ZINC001175096624 809268858 /nfs/dbraw/zinc/26/88/58/809268858.db2.gz GDLSCPLCXMMPMV-UHFFFAOYSA-N -1 3 277.226 3.084 20 0 CGADHM C[C@H](O)c1ccccc1Nc1cc(F)c([O-])c(F)c1 ZINC001213386636 815275550 /nfs/dbraw/zinc/27/55/50/815275550.db2.gz MVCQEPGPJOKHPB-QMMMGPOBSA-N -1 3 265.259 3.467 20 0 CGADHM COc1ccc(N)cc1Nc1c(F)cc([O-])cc1F ZINC001175097687 809270011 /nfs/dbraw/zinc/27/00/11/809270011.db2.gz UIJCCDMAYJPAGR-UHFFFAOYSA-N -1 3 266.247 3.005 20 0 CGADHM C[C@H](O)c1ccc(Nc2c(F)cc([O-])cc2F)cc1 ZINC001175099937 809270558 /nfs/dbraw/zinc/27/05/58/809270558.db2.gz HYKKYKQUBODTNC-QMMMGPOBSA-N -1 3 265.259 3.467 20 0 CGADHM Cc1ccc(CO)cc1Nc1c(F)cc([O-])cc1F ZINC001175100688 809271693 /nfs/dbraw/zinc/27/16/93/809271693.db2.gz VJECJWNHOCXSBO-UHFFFAOYSA-N -1 3 265.259 3.215 20 0 CGADHM Cc1nc(Nc2cc(F)cc(OC(C)C)c2)cc(=O)[n-]1 ZINC001175140879 809286353 /nfs/dbraw/zinc/28/63/53/809286353.db2.gz UPKQDEDJOAKZSA-UHFFFAOYSA-N -1 3 277.299 3.161 20 0 CGADHM CCOc1cccc(Nc2cc(=O)[n-]c(C3CC3)n2)c1F ZINC001175234210 809317959 /nfs/dbraw/zinc/31/79/59/809317959.db2.gz IWSIKIUAFOAIFV-UHFFFAOYSA-N -1 3 289.310 3.341 20 0 CGADHM [O-]c1ccc(F)c(Nc2ccc(OC(F)F)nc2)c1F ZINC001175264149 809329315 /nfs/dbraw/zinc/32/93/15/809329315.db2.gz SOWDQVGRERWFCW-UHFFFAOYSA-N -1 3 288.200 3.410 20 0 CGADHM Cc1cnc(Cl)c(Nc2c(F)ccc([O-])c2F)n1 ZINC001175262906 809329738 /nfs/dbraw/zinc/32/97/38/809329738.db2.gz CBFIBOAELGFAQS-UHFFFAOYSA-N -1 3 271.654 3.166 20 0 CGADHM CC(=O)Nc1cccc(Nc2c(F)ccc([O-])c2F)c1 ZINC001175264800 809329968 /nfs/dbraw/zinc/32/99/68/809329968.db2.gz HTBGEPYHJQTPSR-UHFFFAOYSA-N -1 3 278.258 3.372 20 0 CGADHM CN(c1ccccc1N)c1c(F)ccc([O-])c1F ZINC001175268211 809332016 /nfs/dbraw/zinc/33/20/16/809332016.db2.gz KDJFMDPIWQFZEF-UHFFFAOYSA-N -1 3 250.248 3.021 20 0 CGADHM [O-]c1ccc(F)c(Nc2cccc3c2OCCO3)c1F ZINC001175269019 809332423 /nfs/dbraw/zinc/33/24/23/809332423.db2.gz WTAFOCSEOWNGKR-UHFFFAOYSA-N -1 3 279.242 3.185 20 0 CGADHM Cn1ncc2cccc(Nc3c(F)ccc([O-])c3F)c21 ZINC001175268735 809333162 /nfs/dbraw/zinc/33/31/62/809333162.db2.gz RSHUZTZZBDWMTL-UHFFFAOYSA-N -1 3 275.258 3.301 20 0 CGADHM COc1cc2c(ccn2-c2c(F)ccc([O-])c2F)c(N)c1 ZINC001175270797 809333687 /nfs/dbraw/zinc/33/36/87/809333687.db2.gz JUKXVNXIXHIRLV-UHFFFAOYSA-N -1 3 290.269 3.205 20 0 CGADHM Nc1cccc2ccn(-c3c(F)ccc([O-])c3F)c21 ZINC001175269470 809334850 /nfs/dbraw/zinc/33/48/50/809334850.db2.gz GHAIBPBYAALSRV-UHFFFAOYSA-N -1 3 260.243 3.197 20 0 CGADHM c1ccc2sc(Nc3ccc(-c4nn[n-]n4)cc3)nc2c1 ZINC001175422263 809399667 /nfs/dbraw/zinc/39/96/67/809399667.db2.gz JFXLHDHGQAGQLZ-UHFFFAOYSA-N -1 3 294.343 3.220 20 0 CGADHM Cc1cccc(-c2noc(-c3cc(Cl)n[n-]3)n2)c1F ZINC001213498509 815291332 /nfs/dbraw/zinc/29/13/32/815291332.db2.gz MJBYPOWTVYFODJ-UHFFFAOYSA-N -1 3 278.674 3.228 20 0 CGADHM CCSc1cccnc1C(=O)Nc1cc(F)ccc1[O-] ZINC001295972816 809496976 /nfs/dbraw/zinc/49/69/76/809496976.db2.gz RQZIBCRTQNJXMD-UHFFFAOYSA-N -1 3 292.335 3.291 20 0 CGADHM C[C@H](CC(=O)Nc1c([O-])cccc1Cl)n1cccc1 ZINC001298550474 809534050 /nfs/dbraw/zinc/53/40/50/809534050.db2.gz JDJGAYMNCJDLKE-SNVBAGLBSA-N -1 3 278.739 3.437 20 0 CGADHM [O-]c1cccc2sc(Nc3ccc(F)cn3)nc21 ZINC001175847047 809555439 /nfs/dbraw/zinc/55/54/39/809555439.db2.gz XNHWKQINWVENFX-UHFFFAOYSA-N -1 3 261.281 3.280 20 0 CGADHM Cc1ccc(-c2cc(NC(=O)c3c(C)cccc3[O-])[nH]n2)o1 ZINC001299948698 809559137 /nfs/dbraw/zinc/55/91/37/809559137.db2.gz ZAXFSLXVKDKHRK-UHFFFAOYSA-N -1 3 297.314 3.244 20 0 CGADHM C/C(=C\C(=O)[N-]Oc1ccccc1F)c1ccccc1 ZINC001303333144 809608380 /nfs/dbraw/zinc/60/83/80/809608380.db2.gz WEJULYNGWXGUMR-VAWYXSNFSA-N -1 3 271.291 3.339 20 0 CGADHM CC(C)c1ccc(C(=O)NC[C@H]2CC(C)(C)CO2)c([O-])c1 ZINC001303344234 809609400 /nfs/dbraw/zinc/60/94/00/809609400.db2.gz JENMCSNIGWMDCG-CYBMUJFWSA-N -1 3 291.391 3.061 20 0 CGADHM [O-]c1c(Cl)cccc1Nc1csc(CO)c1 ZINC001176370289 809680441 /nfs/dbraw/zinc/68/04/41/809680441.db2.gz YBUZCPCNDXRXTG-UHFFFAOYSA-N -1 3 255.726 3.343 20 0 CGADHM O=c1[n-]cncc1Nc1ccc(Cl)c(Cl)c1 ZINC001176540810 809712793 /nfs/dbraw/zinc/71/27/93/809712793.db2.gz BLFCEZQTBPZBOS-UHFFFAOYSA-N -1 3 256.092 3.233 20 0 CGADHM Cc1ccc([O-])c(-c2nc(-c3cc(F)ccc3F)no2)n1 ZINC001213698427 815322809 /nfs/dbraw/zinc/32/28/09/815322809.db2.gz WIXKNUURKIHMBM-UHFFFAOYSA-N -1 3 289.241 3.091 20 0 CGADHM CCCCOc1ccc(C(=O)NC2CCCC2)c([O-])c1 ZINC001182128172 810094178 /nfs/dbraw/zinc/09/41/78/810094178.db2.gz DMSPBRKKGRVIAP-UHFFFAOYSA-N -1 3 277.364 3.244 20 0 CGADHM [O-]c1cc(F)c(Nc2cc(F)c(CO)c(F)c2)c(F)c1 ZINC001214038816 815360046 /nfs/dbraw/zinc/36/00/46/815360046.db2.gz JAHGCGADXMRRND-UHFFFAOYSA-N -1 3 287.212 3.185 20 0 CGADHM [O-]c1cc(F)c(F)cc1Nc1c(F)cc(CO)cc1F ZINC001214099240 815368852 /nfs/dbraw/zinc/36/88/52/815368852.db2.gz QQSTUMDAJMPMFO-UHFFFAOYSA-N -1 3 287.212 3.185 20 0 CGADHM CSc1cccc(NC(=O)Nc2nc(C)ccc2[O-])c1 ZINC001188019631 810443280 /nfs/dbraw/zinc/44/32/80/810443280.db2.gz MNNMBNPHIVUUFR-UHFFFAOYSA-N -1 3 289.360 3.462 20 0 CGADHM Cc1ccc(C(F)(F)F)c([N-]S(=O)(=O)C2CCC2)c1 ZINC001188138371 810457148 /nfs/dbraw/zinc/45/71/48/810457148.db2.gz YADQRDOKBZRCFS-UHFFFAOYSA-N -1 3 293.310 3.308 20 0 CGADHM Cc1cccc([O-])c1C(=O)NCc1cc(F)c(F)c(F)c1 ZINC001188655248 810500456 /nfs/dbraw/zinc/50/04/56/810500456.db2.gz LSNLMARHBKMMFI-UHFFFAOYSA-N -1 3 295.260 3.048 20 0 CGADHM COc1nc(C)ccc1C(=O)Nc1cc([O-])cc(Cl)c1 ZINC001190809876 810650046 /nfs/dbraw/zinc/65/00/46/810650046.db2.gz HIZMCUTZNMGFNK-UHFFFAOYSA-N -1 3 292.722 3.010 20 0 CGADHM CC(=O)c1cccc(NC(=O)N[C@H]2CC[C@H](C)CC2)c1[O-] ZINC001191824334 810746884 /nfs/dbraw/zinc/74/68/84/810746884.db2.gz KXSVTFBFLSBWOY-UMSPYCQHSA-N -1 3 290.363 3.295 20 0 CGADHM Cc1ncc(Nc2ccc(C)c(OC(C)C)c2)c(=O)[n-]1 ZINC001214332018 815397088 /nfs/dbraw/zinc/39/70/88/815397088.db2.gz CNSOUPLLUNXBJS-UHFFFAOYSA-N -1 3 273.336 3.330 20 0 CGADHM CSc1cncc(C(=O)Nc2cc([O-])cc(Cl)c2)c1 ZINC001194092557 811013284 /nfs/dbraw/zinc/01/32/84/811013284.db2.gz YULQBHREASRWCG-UHFFFAOYSA-N -1 3 294.763 3.415 20 0 CGADHM Cc1cc2ncc(Nc3c(Cl)ccc([O-])c3F)cn2n1 ZINC001214556029 815423500 /nfs/dbraw/zinc/42/35/00/815423500.db2.gz HBSQLWFQZFBENQ-UHFFFAOYSA-N -1 3 292.701 3.279 20 0 CGADHM [O-]c1ccc(Cl)c(Nc2ncncc2Cl)c1F ZINC001214554497 815423621 /nfs/dbraw/zinc/42/36/21/815423621.db2.gz SHXASOAGRWHRLB-UHFFFAOYSA-N -1 3 274.082 3.372 20 0 CGADHM C[Si](C)(C)CCS(=O)(=O)[N-]c1cc(F)cc(F)c1 ZINC001195031767 811187700 /nfs/dbraw/zinc/18/77/00/811187700.db2.gz HGBTUMWYZIYJMP-UHFFFAOYSA-N -1 3 293.411 3.045 20 0 CGADHM [O-]c1cc(NC(=S)NCc2ccccc2)ccc1F ZINC001195626776 811271784 /nfs/dbraw/zinc/27/17/84/811271784.db2.gz GWBRYLYGKWDGDC-UHFFFAOYSA-N -1 3 276.336 3.018 20 0 CGADHM Cc1cc(F)ccc1NC(=S)Nc1cncc([O-])c1 ZINC001196086469 811316798 /nfs/dbraw/zinc/31/67/98/811316798.db2.gz FYIWASBIJIEBRA-UHFFFAOYSA-N -1 3 277.324 3.044 20 0 CGADHM [O-]c1cnc(NC(=S)Nc2ccc(F)cc2)c(Cl)c1 ZINC001196916933 811382765 /nfs/dbraw/zinc/38/27/65/811382765.db2.gz GUPXXLAYXXYRST-UHFFFAOYSA-N -1 3 297.742 3.389 20 0 CGADHM [O-]c1cccc(F)c1NC(=S)Nc1cccc(F)c1 ZINC001197638056 811439872 /nfs/dbraw/zinc/43/98/72/811439872.db2.gz HMQJRUBTQUNACF-UHFFFAOYSA-N -1 3 280.299 3.479 20 0 CGADHM O=S(=O)(Cc1ccccn1)[N-]c1cccc2ccccc21 ZINC001197822058 811455392 /nfs/dbraw/zinc/45/53/92/811455392.db2.gz SNSBBLSUJNDBSX-UHFFFAOYSA-N -1 3 298.367 3.177 20 0 CGADHM NC(=O)c1c(F)cc(Nc2cccc([O-])c2Cl)cc1F ZINC001214920575 815460653 /nfs/dbraw/zinc/46/06/53/815460653.db2.gz OCQQSTODBRQZGJ-UHFFFAOYSA-N -1 3 298.676 3.166 20 0 CGADHM [O-]c1cnc(NC(=S)NCC2CCCCC2)c(Cl)c1 ZINC001199918239 811611685 /nfs/dbraw/zinc/61/16/85/811611685.db2.gz BVNWIXDNDMBFCF-UHFFFAOYSA-N -1 3 299.827 3.307 20 0 CGADHM CC(C)Oc1ccc(F)c(F)c1[N-]c1cnns1 ZINC001215074210 815481049 /nfs/dbraw/zinc/48/10/49/815481049.db2.gz SYHAZKQCHQGCMC-UHFFFAOYSA-N -1 3 271.292 3.347 20 0 CGADHM O=C(Nc1ccc(F)c([O-])c1)Nc1c(F)cccc1F ZINC001202041539 812002821 /nfs/dbraw/zinc/00/28/21/812002821.db2.gz BJGKPLRDTDVPFR-UHFFFAOYSA-N -1 3 282.221 3.454 20 0 CGADHM Cc1ccc(C)c(NC(=O)Nc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC001202759535 812168146 /nfs/dbraw/zinc/16/81/46/812168146.db2.gz TUVYRSURQHJDKC-UHFFFAOYSA-N -1 3 298.346 3.320 20 0 CGADHM COc1ccc(C)cc1NC(=O)Nc1ccc([O-])c(F)c1 ZINC001202866878 812189477 /nfs/dbraw/zinc/18/94/77/812189477.db2.gz YECUCEJTFSBFKC-UHFFFAOYSA-N -1 3 290.294 3.492 20 0 CGADHM Cc1ncc(NC(=O)Nc2ccc(C(C)C)cc2)c(=O)[n-]1 ZINC001202916349 812199435 /nfs/dbraw/zinc/19/94/35/812199435.db2.gz PPHVGSKFRRJEMA-UHFFFAOYSA-N -1 3 286.335 3.258 20 0 CGADHM O=C1COc2ccc(Nc3cccc([O-])c3Cl)cc2N1 ZINC001203185508 812263383 /nfs/dbraw/zinc/26/33/83/812263383.db2.gz UJZKSPIYLDJRQE-UHFFFAOYSA-N -1 3 290.706 3.120 20 0 CGADHM CCCOc1ccc(F)c(Nc2cnc(C)[n-]c2=O)c1F ZINC001215567985 815536247 /nfs/dbraw/zinc/53/62/47/815536247.db2.gz AMVMYNUQZBUGJX-UHFFFAOYSA-N -1 3 295.289 3.301 20 0 CGADHM Cc1nc(Cl)ncc1Nc1cc(F)c([O-])cc1F ZINC001215570468 815536254 /nfs/dbraw/zinc/53/62/54/815536254.db2.gz HIONHUQAGLBFPT-UHFFFAOYSA-N -1 3 271.654 3.166 20 0 CGADHM CCc1ncsc1Nc1cc(F)c([O-])cc1F ZINC001215572486 815537284 /nfs/dbraw/zinc/53/72/84/815537284.db2.gz HZTREGAJTROOEN-UHFFFAOYSA-N -1 3 256.277 3.433 20 0 CGADHM O=c1cc(Nc2c3cc[nH]c3ccc2F)nc(C2CC2)[n-]1 ZINC001204256052 812588771 /nfs/dbraw/zinc/58/87/71/812588771.db2.gz KGIIJHPBCLYULN-UHFFFAOYSA-N -1 3 284.294 3.424 20 0 CGADHM S=C1Cc2ccc(-c3ccc4nonc4c3)cc2[N-]1 ZINC001204965524 812799667 /nfs/dbraw/zinc/79/96/67/812799667.db2.gz AQOKDAXMMKVZMO-UHFFFAOYSA-N -1 3 267.313 3.185 20 0 CGADHM O=c1[n-]cncc1Nc1ccc(-c2ccc(O)cc2)cc1 ZINC001205134759 812881891 /nfs/dbraw/zinc/88/18/91/812881891.db2.gz SOZGDZNUCFEUKF-UHFFFAOYSA-N -1 3 279.299 3.298 20 0 CGADHM COc1ccc(-c2ccsc2C(=O)[O-])cc1CN(C)C ZINC001205605021 813021451 /nfs/dbraw/zinc/02/14/51/813021451.db2.gz DLTAOOYVAPZILO-UHFFFAOYSA-N -1 3 291.372 3.184 20 0 CGADHM CC(C)(C)NC(=O)c1ccc(-c2ccc([O-])cc2F)nc1 ZINC001206029773 813171761 /nfs/dbraw/zinc/17/17/61/813171761.db2.gz JABPTEYOWPTGFE-UHFFFAOYSA-N -1 3 288.322 3.122 20 0 CGADHM COC(=O)c1cccc(C)c1-c1ccc([O-])cc1F ZINC001206057833 813185690 /nfs/dbraw/zinc/18/56/90/813185690.db2.gz QJKUXJBLLSIFEV-UHFFFAOYSA-N -1 3 260.264 3.293 20 0 CGADHM COC(=O)c1c(C)cc(F)cc1-c1ccc([O-])cc1F ZINC001206073104 813190703 /nfs/dbraw/zinc/19/07/03/813190703.db2.gz OKIZKCAMTORTDI-UHFFFAOYSA-N -1 3 278.254 3.432 20 0 CGADHM CC(=O)Nc1ccc(F)c(-c2ccc([O-])cc2F)c1 ZINC001206072915 813190731 /nfs/dbraw/zinc/19/07/31/813190731.db2.gz KEVVUBDSZIJMSB-UHFFFAOYSA-N -1 3 263.243 3.296 20 0 CGADHM Cc1cc(N(C)C)ncc1Nc1ccc(F)c(F)c1[O-] ZINC001206748180 813418887 /nfs/dbraw/zinc/41/88/87/813418887.db2.gz CJPVXNFAIDQFIO-UHFFFAOYSA-N -1 3 279.290 3.183 20 0 CGADHM COc1cccc(C(C)=O)c1Nc1cc([O-])cc(F)c1 ZINC001208124950 813700063 /nfs/dbraw/zinc/70/00/63/813700063.db2.gz CJIPXZOOZKQFJX-UHFFFAOYSA-N -1 3 275.279 3.486 20 0 CGADHM CCCCOc1cccc(Nc2cnc[n-]c2=O)c1 ZINC001208637374 813781178 /nfs/dbraw/zinc/78/11/78/813781178.db2.gz OMNLORNPGODYEI-UHFFFAOYSA-N -1 3 259.309 3.105 20 0 CGADHM COc1c(F)ccc(Nc2ncc(F)cc2[O-])c1Cl ZINC001209801417 814147540 /nfs/dbraw/zinc/14/75/40/814147540.db2.gz MDTLKOBOVVIZBX-UHFFFAOYSA-N -1 3 286.665 3.471 20 0 CGADHM O=c1cc(C(F)(F)F)[nH]cc1Nc1ccc(F)cc1[O-] ZINC001210015879 814245441 /nfs/dbraw/zinc/24/54/41/814245441.db2.gz AVKWRVWFZNLTDO-UHFFFAOYSA-N -1 3 288.200 3.394 20 0 CGADHM Nc1cc2nn(-c3ccc(F)cc3[O-])cc2cc1Cl ZINC001210020369 814247645 /nfs/dbraw/zinc/24/76/45/814247645.db2.gz GCJLDJSGYRIQOY-UHFFFAOYSA-N -1 3 277.686 3.106 20 0 CGADHM C[C@H](O)c1ccnc(Nc2cccc(Cl)c2[O-])c1 ZINC001210220805 814348488 /nfs/dbraw/zinc/34/84/88/814348488.db2.gz ZGOMNDHYXZFJSL-QMMMGPOBSA-N -1 3 264.712 3.238 20 0 CGADHM COc1ncc(Nc2cc(=O)n(-c3ccccc3)[n-]2)cc1C ZINC001210314496 814399608 /nfs/dbraw/zinc/39/96/08/814399608.db2.gz IMANMTNNCTZKRT-UHFFFAOYSA-N -1 3 296.330 3.034 20 0 CGADHM CSc1cccc(Nc2cc(=O)[n-]c(=S)[nH]2)c1F ZINC001215866577 815617591 /nfs/dbraw/zinc/61/75/91/815617591.db2.gz GLFOTUDHRCBOAB-UHFFFAOYSA-N -1 3 283.353 3.076 20 0 CGADHM COc1cc(F)c(F)cc1Nc1ncc(Cl)cc1[O-] ZINC001210546798 814519396 /nfs/dbraw/zinc/51/93/96/814519396.db2.gz WVPZZRWKRNGBQY-UHFFFAOYSA-N -1 3 286.665 3.471 20 0 CGADHM O=c1cc(Nc2ccc3ocnc3c2)[n-]n1-c1ccccc1 ZINC001210571111 814534565 /nfs/dbraw/zinc/53/45/65/814534565.db2.gz QLAVBHCBTOGURU-UHFFFAOYSA-N -1 3 292.298 3.463 20 0 CGADHM COc1cc(Nc2nc3c(cccc3[O-])s2)cc(C)n1 ZINC001210774934 814621239 /nfs/dbraw/zinc/62/12/39/814621239.db2.gz CMHBQYQVOLPCDN-UHFFFAOYSA-N -1 3 287.344 3.458 20 0 CGADHM Cc1nc(Nc2cc(F)c(Cl)c(F)c2)cc(=O)[n-]1 ZINC001210840948 814648152 /nfs/dbraw/zinc/64/81/52/814648152.db2.gz CINQDWVOPGOFLQ-UHFFFAOYSA-N -1 3 271.654 3.166 20 0 CGADHM NC(=O)c1ccc(Nc2cc(F)c(Cl)c(F)c2)cc1[O-] ZINC001210843293 814649205 /nfs/dbraw/zinc/64/92/05/814649205.db2.gz FWTBGKAEFVJLRP-UHFFFAOYSA-N -1 3 298.676 3.166 20 0 CGADHM [O-]c1cccc(Nc2ccc(F)nc2F)c1Cl ZINC001210853796 814650491 /nfs/dbraw/zinc/65/04/91/814650491.db2.gz KDXYBPDBZUSYIV-UHFFFAOYSA-N -1 3 256.639 3.462 20 0 CGADHM Cc1ccc(O)c(Nc2cccc([O-])c2Cl)n1 ZINC001210852077 814650988 /nfs/dbraw/zinc/65/09/88/814650988.db2.gz UVFPLFLOMDCKLM-UHFFFAOYSA-N -1 3 250.685 3.198 20 0 CGADHM [O-]c1cccc(Nc2cc(Cl)nn3ccnc23)c1Cl ZINC001210854957 814651878 /nfs/dbraw/zinc/65/18/78/814651878.db2.gz GJUQWDYAMWXYQE-UHFFFAOYSA-N -1 3 295.129 3.485 20 0 CGADHM COC(=O)c1ccc(Nc2cccc([O-])c2Cl)c(O)c1 ZINC001210854195 814652071 /nfs/dbraw/zinc/65/20/71/814652071.db2.gz GJVGHPIPFOGOQP-UHFFFAOYSA-N -1 3 293.706 3.281 20 0 CGADHM Nc1cccc2c1N(c1cccc([O-])c1Cl)CC2 ZINC001210859286 814653329 /nfs/dbraw/zinc/65/33/29/814653329.db2.gz GNZXMQXTTDZFCI-UHFFFAOYSA-N -1 3 260.724 3.322 20 0 CGADHM NC(=O)c1ccc(Nc2cccc([O-])c2Cl)cc1F ZINC001210859172 814653542 /nfs/dbraw/zinc/65/35/42/814653542.db2.gz DKAKKXGJIHVRAK-UHFFFAOYSA-N -1 3 280.686 3.027 20 0 CGADHM Fc1cc(-c2ccccc2OC2CC2)ccc1-c1nnn[n-]1 ZINC001242794405 823134290 /nfs/dbraw/zinc/13/42/90/823134290.db2.gz HSKMUXDEKMFJSS-UHFFFAOYSA-N -1 3 296.305 3.214 20 0 CGADHM Fc1cc(-c2ccccc2OC2CC2)ccc1-c1nn[n-]n1 ZINC001242794405 823134293 /nfs/dbraw/zinc/13/42/93/823134293.db2.gz HSKMUXDEKMFJSS-UHFFFAOYSA-N -1 3 296.305 3.214 20 0 CGADHM Cc1ncc(Nc2ccccc2N2CCCCC2)c(=O)[n-]1 ZINC001210960700 814692755 /nfs/dbraw/zinc/69/27/55/814692755.db2.gz NFBHUJLOKJDNEQ-UHFFFAOYSA-N -1 3 284.363 3.225 20 0 CGADHM FC(F)(F)c1ccc([N-]c2cnns2)c(Cl)n1 ZINC001211199325 814846154 /nfs/dbraw/zinc/84/61/54/814846154.db2.gz NNDVOPWMEDNDNA-UHFFFAOYSA-N -1 3 280.662 3.349 20 0 CGADHM COc1cccc(Nc2cccc(Cl)c2[O-])n1 ZINC001211301168 814875289 /nfs/dbraw/zinc/87/52/89/814875289.db2.gz UPXZICGETSTLLG-UHFFFAOYSA-N -1 3 250.685 3.193 20 0 CGADHM CC(C)c1cc(Nc2cc(=O)[n-]c(=S)[nH]2)ccc1O ZINC001215845122 815612790 /nfs/dbraw/zinc/61/27/90/815612790.db2.gz RBTAUDPRSJWKMQ-UHFFFAOYSA-N -1 3 277.349 3.044 20 0 CGADHM Nc1cccc(C(=S)Nc2c([O-])cccc2Cl)c1 ZINC001215986752 815652234 /nfs/dbraw/zinc/65/22/34/815652234.db2.gz PXEFVWKWCFWZCR-UHFFFAOYSA-N -1 3 278.764 3.415 20 0 CGADHM CCc1cc(Nc2ccc(-n3ccc(=O)[n-]3)cc2)ccc1N ZINC001216042974 815671869 /nfs/dbraw/zinc/67/18/69/815671869.db2.gz NVUUQVAGUIPAJA-UHFFFAOYSA-N -1 3 294.358 3.466 20 0 CGADHM [O-]c1cc(Nc2ccc(CO)cc2F)c(F)cc1F ZINC001216273999 815764401 /nfs/dbraw/zinc/76/44/01/815764401.db2.gz LAMKFACXQKVEPJ-UHFFFAOYSA-N -1 3 269.222 3.045 20 0 CGADHM Nc1c(Cl)cccc1Nc1cc(=O)[n-]c(C2CC2)n1 ZINC001216525489 815849872 /nfs/dbraw/zinc/84/98/72/815849872.db2.gz RNORJGBIHNUUKK-UHFFFAOYSA-N -1 3 276.727 3.039 20 0 CGADHM O=C1Nc2cccc(-c3ccc(F)c([O-])c3)c2C12CC2 ZINC001243045899 823223006 /nfs/dbraw/zinc/22/30/06/823223006.db2.gz AYTAYBKQBIBRQP-UHFFFAOYSA-N -1 3 269.275 3.182 20 0 CGADHM COc1ccnc2cc(-c3ccc(F)c([O-])c3)cnc21 ZINC001243051135 823227999 /nfs/dbraw/zinc/22/79/99/823227999.db2.gz NOXUQLBPUILKPE-UHFFFAOYSA-N -1 3 270.263 3.150 20 0 CGADHM COCOc1cc(-c2ccc(F)c([O-])c2)ccc1F ZINC001243046473 823223859 /nfs/dbraw/zinc/22/38/59/823223859.db2.gz IVSOMOFDJDGADS-UHFFFAOYSA-N -1 3 266.243 3.320 20 0 CGADHM [O-]c1cc(-c2ncnc3cc(F)ccc32)ccc1F ZINC001243046963 823224280 /nfs/dbraw/zinc/22/42/80/823224280.db2.gz AOHNGULZCDOTEV-UHFFFAOYSA-N -1 3 258.227 3.281 20 0 CGADHM COCCOc1ccc(-c2ccc(F)c([O-])c2)cc1 ZINC001243047196 823224638 /nfs/dbraw/zinc/22/46/38/823224638.db2.gz DZXKAVXEFSZQQG-UHFFFAOYSA-N -1 3 262.280 3.224 20 0 CGADHM Cn1cc(-c2ccc(F)c([O-])c2)c2ccccc2c1=O ZINC001243048154 823224776 /nfs/dbraw/zinc/22/47/76/823224776.db2.gz IORSDCBIOHDWKO-UHFFFAOYSA-N -1 3 269.275 3.050 20 0 CGADHM [O-]c1cc(-c2ccc(-c3ccncc3)nn2)ccc1F ZINC001243048096 823224911 /nfs/dbraw/zinc/22/49/11/823224911.db2.gz FVCJBZJZNWNSAY-UHFFFAOYSA-N -1 3 267.263 3.050 20 0 CGADHM CCOC(=O)Cc1cccc(-c2ccc(F)c([O-])c2)c1 ZINC001243050229 823226382 /nfs/dbraw/zinc/22/63/82/823226382.db2.gz UBYXVARWJUOACF-UHFFFAOYSA-N -1 3 274.291 3.304 20 0 CGADHM CCc1noc(-c2ccnc(-c3ccc(F)c([O-])c3)c2)n1 ZINC001243049623 823226751 /nfs/dbraw/zinc/22/67/51/823226751.db2.gz MIPJZKNPMPXATG-UHFFFAOYSA-N -1 3 285.278 3.206 20 0 CGADHM COC(=O)c1cc(-c2ccc(F)c([O-])c2)c(OC)cc1F ZINC001243050203 823227117 /nfs/dbraw/zinc/22/71/17/823227117.db2.gz SGPSCMRBMLWTFF-UHFFFAOYSA-N -1 3 294.253 3.133 20 0 CGADHM COc1c(F)ccc(-c2ccc(F)c([O-])c2)c1OC ZINC001243051028 823227502 /nfs/dbraw/zinc/22/75/02/823227502.db2.gz MNSPLQIIXRNEEQ-UHFFFAOYSA-N -1 3 266.243 3.355 20 0 CGADHM COC(=O)c1nc2cc(-c3ccc(F)c([O-])c3)ccc2o1 ZINC001243051041 823227668 /nfs/dbraw/zinc/22/76/68/823227668.db2.gz KNJGAWSRYCUCRI-UHFFFAOYSA-N -1 3 287.246 3.126 20 0 CGADHM COc1ccc2ncc(-c3ccc(F)c([O-])c3)nc2c1 ZINC001243053443 823229242 /nfs/dbraw/zinc/22/92/42/823229242.db2.gz DGASVLLQQQHWOH-UHFFFAOYSA-N -1 3 270.263 3.150 20 0 CGADHM [O-]c1coc2cc(O[C@H](c3cccnc3)C3CC3)ccc12 ZINC001225341094 817018512 /nfs/dbraw/zinc/01/85/12/817018512.db2.gz XQULJQWFZKJMKH-KRWDZBQOSA-N -1 3 281.311 3.187 20 0 CGADHM COc1ccc([C@H](C)Oc2[n-]c(=S)ncc2C)c(F)c1 ZINC001225740422 817162246 /nfs/dbraw/zinc/16/22/46/817162246.db2.gz GMTAJRVCGMROOQ-VIFPVBQESA-N -1 3 294.351 3.361 20 0 CGADHM CC(=O)c1ccc([O-])c(O[C@H]2CCc3cccnc32)c1 ZINC001225994214 817242421 /nfs/dbraw/zinc/24/24/21/817242421.db2.gz LXUJCHVKYJFMPC-AWEZNQCLSA-N -1 3 269.300 3.056 20 0 CGADHM CCC[C@@H](Oc1nc[n-]c(=O)c1C)c1ccccc1 ZINC001226075115 817266110 /nfs/dbraw/zinc/26/61/10/817266110.db2.gz FNOOTXOWRVGFCL-CYBMUJFWSA-N -1 3 258.321 3.411 20 0 CGADHM C[C@@H](Oc1[n-]c(=S)ncc1C1CC1)c1ccco1 ZINC001226118084 817278071 /nfs/dbraw/zinc/27/80/71/817278071.db2.gz ABNPDEJLKKMYGE-MRVPVSSYSA-N -1 3 262.334 3.376 20 0 CGADHM CCc1nc(O[C@H](C)c2ccccc2C)cc(=O)[n-]1 ZINC001226475323 817368841 /nfs/dbraw/zinc/36/88/41/817368841.db2.gz JMEPBISBLDWCHL-LLVKDONJSA-N -1 3 258.321 3.193 20 0 CGADHM CCc1nc(O[C@H]2CCc3ccc(Cl)cc32)cc(=O)[n-]1 ZINC001226474406 817369048 /nfs/dbraw/zinc/36/90/48/817369048.db2.gz FQEWIFMUPHFVNI-LBPRGKRZSA-N -1 3 290.750 3.464 20 0 CGADHM CC(=O)c1ccc([O-])c(O[C@H]2CCC[C@H](C)C2)c1O ZINC001226481278 817371028 /nfs/dbraw/zinc/37/10/28/817371028.db2.gz DWNSLHFNPILSQG-ONGXEEELSA-N -1 3 264.321 3.258 20 0 CGADHM Cc1nc(O[C@@H](c2ccccc2)C(F)(F)F)cc(=O)[n-]1 ZINC001226510852 817381770 /nfs/dbraw/zinc/38/17/70/817381770.db2.gz RIIGKMTYDWGKFC-LBPRGKRZSA-N -1 3 284.237 3.173 20 0 CGADHM C[C@@H]1CCC[C@H](Oc2[n-]c(=O)nc3nc(Cl)ccc32)C1 ZINC001226552789 817395805 /nfs/dbraw/zinc/39/58/05/817395805.db2.gz AHKHDDZIHAZJRB-BDAKNGLRSA-N -1 3 293.754 3.341 20 0 CGADHM [O-]c1cccc(OC[C@H]2COc3cscc3O2)c1Cl ZINC001226708666 817440656 /nfs/dbraw/zinc/44/06/56/817440656.db2.gz HTQHXEWFFIXBTD-QMMMGPOBSA-N -1 3 298.747 3.326 20 0 CGADHM CCOC(=O)[C@H]1CC[C@@H](Oc2cccc([O-])c2Cl)C1 ZINC001226709792 817442521 /nfs/dbraw/zinc/44/25/21/817442521.db2.gz SPTRZGQYKIEBDY-VHSXEESVSA-N -1 3 284.739 3.156 20 0 CGADHM C[C@H](Oc1ccnc(=S)[n-]1)c1ccccc1F ZINC001226937847 817510553 /nfs/dbraw/zinc/51/05/53/817510553.db2.gz RZRBFQCBDPILQB-QMMMGPOBSA-N -1 3 250.298 3.044 20 0 CGADHM FC(F)(F)C1CCC(Oc2ccnc(=S)[n-]2)CC1 ZINC001226935533 817510592 /nfs/dbraw/zinc/51/05/92/817510592.db2.gz ACZPVCYGIJNGAA-UHFFFAOYSA-N -1 3 278.299 3.265 20 0 CGADHM C[C@@H](Oc1ccnc(=S)[n-]1)c1cccc(F)c1 ZINC001226935960 817510645 /nfs/dbraw/zinc/51/06/45/817510645.db2.gz FGUHUUZLXLGJLO-MRVPVSSYSA-N -1 3 250.298 3.044 20 0 CGADHM C[C@H](Oc1cc(=O)[n-]cn1)c1ccccc1Br ZINC001226945029 817512415 /nfs/dbraw/zinc/51/24/15/817512415.db2.gz NKVORXLKYQBKTK-QMMMGPOBSA-N -1 3 295.136 3.085 20 0 CGADHM CC[C@@H](Oc1cc(=O)[n-]cn1)c1cccc(F)c1C ZINC001226944527 817512546 /nfs/dbraw/zinc/51/25/46/817512546.db2.gz GYKOSCQZMYMMLL-GFCCVEGCSA-N -1 3 262.284 3.160 20 0 CGADHM CCC[C@H](Oc1cc(=O)[n-]cn1)c1ccc(OC)cc1 ZINC001226945441 817513028 /nfs/dbraw/zinc/51/30/28/817513028.db2.gz USKNUEYPAXZCMH-ZDUSSCGKSA-N -1 3 274.320 3.111 20 0 CGADHM C[C@H](Oc1cc(=O)cc(C(F)(F)F)[n-]1)C1CCC1 ZINC001227585264 817676037 /nfs/dbraw/zinc/67/60/37/817676037.db2.gz AXVYRXCJEQEMGC-ZETCQYMHSA-N -1 3 261.243 3.373 20 0 CGADHM S=c1nc2nc[n-]c2c(OC2CCCCCCC2)[nH]1 ZINC001227615541 817683592 /nfs/dbraw/zinc/68/35/92/817683592.db2.gz CSDMJWXTKNFQKS-UHFFFAOYSA-N -1 3 278.381 3.133 20 0 CGADHM CCCC1CCC(Oc2nc(C(=O)OC)ccc2[O-])CC1 ZINC001227820402 817727074 /nfs/dbraw/zinc/72/70/74/817727074.db2.gz SYWVASGXDHHAQY-UHFFFAOYSA-N -1 3 293.363 3.312 20 0 CGADHM CCCCOC[C@H](C)Oc1ncc(Cl)cc1[O-] ZINC001227980763 817771969 /nfs/dbraw/zinc/77/19/69/817771969.db2.gz QYGMWBNEOOWDQP-VIFPVBQESA-N -1 3 259.733 3.025 20 0 CGADHM Cc1cc(-c2ccc(CN(C)C3CC3)cn2)ccc1C(=O)[O-] ZINC001243212017 823294342 /nfs/dbraw/zinc/29/43/42/823294342.db2.gz KMNPPLCIYUNTMW-UHFFFAOYSA-N -1 3 296.370 3.349 20 0 CGADHM CCCCC[C@@H](C)Oc1n[n-]c(-c2ccncc2)n1 ZINC001228696917 817976954 /nfs/dbraw/zinc/97/69/54/817976954.db2.gz FQFMUGOOWJYQMO-LLVKDONJSA-N -1 3 260.341 3.214 20 0 CGADHM CC(C)=CCC[C@@H](C)Oc1nnc(-c2cccnc2)[n-]1 ZINC001228699477 817978761 /nfs/dbraw/zinc/97/87/61/817978761.db2.gz XRKBTBIYHCVAPG-GFCCVEGCSA-N -1 3 272.352 3.380 20 0 CGADHM CC(C)=CCC[C@@H](C)Oc1nc(-c2cccnc2)n[n-]1 ZINC001228699477 817978766 /nfs/dbraw/zinc/97/87/66/817978766.db2.gz XRKBTBIYHCVAPG-GFCCVEGCSA-N -1 3 272.352 3.380 20 0 CGADHM CC(C)=CCC[C@@H](C)Oc1n[n-]c(-c2cccnc2)n1 ZINC001228699477 817978772 /nfs/dbraw/zinc/97/87/72/817978772.db2.gz XRKBTBIYHCVAPG-GFCCVEGCSA-N -1 3 272.352 3.380 20 0 CGADHM C[C@@H]1CCC[C@H](Oc2nnc(-c3cccnc3)[n-]2)[C@@H]1C ZINC001228699577 817979285 /nfs/dbraw/zinc/97/92/85/817979285.db2.gz ZVRCTSYADSOGFV-WZRBSPASSA-N -1 3 272.352 3.070 20 0 CGADHM C[C@@H]1CCC[C@H](Oc2nc(-c3cccnc3)n[n-]2)[C@@H]1C ZINC001228699577 817979287 /nfs/dbraw/zinc/97/92/87/817979287.db2.gz ZVRCTSYADSOGFV-WZRBSPASSA-N -1 3 272.352 3.070 20 0 CGADHM C[C@@H]1CCC[C@H](Oc2n[n-]c(-c3cccnc3)n2)[C@@H]1C ZINC001228699577 817979294 /nfs/dbraw/zinc/97/92/94/817979294.db2.gz ZVRCTSYADSOGFV-WZRBSPASSA-N -1 3 272.352 3.070 20 0 CGADHM CC1(C)CCC[C@H](Oc2n[n-]c(-c3ccncc3)n2)C1 ZINC001228699030 817980066 /nfs/dbraw/zinc/98/00/66/817980066.db2.gz CHYNVAGUSURWAW-LBPRGKRZSA-N -1 3 272.352 3.214 20 0 CGADHM CC1(C)C(=O)CCC[C@@H]1Oc1cc2c(cc1[O-])CCC2=O ZINC001228853084 818022485 /nfs/dbraw/zinc/02/24/85/818022485.db2.gz GMYXXLXIHZPEFY-INIZCTEOSA-N -1 3 288.343 3.048 20 0 CGADHM CN(Cc1ccon1)Cc1ccc([O-])c(C(F)(F)F)c1 ZINC001231522500 818120401 /nfs/dbraw/zinc/12/04/01/818120401.db2.gz HHTKMABTLCTDCY-UHFFFAOYSA-N -1 3 286.253 3.031 20 0 CGADHM [O-]c1ccc(CN2CCC[C@@H]3C[C@@H]32)cc1C(F)(F)F ZINC001231525331 818121026 /nfs/dbraw/zinc/12/10/26/818121026.db2.gz BIRGBCSRTPXARU-PWSUYJOCSA-N -1 3 271.282 3.395 20 0 CGADHM Cc1ncccc1CN(C)Cc1ccc(Cl)c([O-])c1 ZINC001231734671 818164222 /nfs/dbraw/zinc/16/42/22/818164222.db2.gz DDKNIYLRTLRQSM-UHFFFAOYSA-N -1 3 276.767 3.381 20 0 CGADHM C[C@@H]1CCCN(Cc2cc([O-])c(F)c(F)c2)[C@H]1C ZINC001232971635 818486933 /nfs/dbraw/zinc/48/69/33/818486933.db2.gz OUTKIUKYIIWOLU-ZJUUUORDSA-N -1 3 255.308 3.291 20 0 CGADHM CC[C@@H]1CCCN(Cc2cc([O-])c(F)c(F)c2)C1 ZINC001232973282 818488062 /nfs/dbraw/zinc/48/80/62/818488062.db2.gz RUNOTMDYDGFGPV-SNVBAGLBSA-N -1 3 255.308 3.292 20 0 CGADHM [O-]c1cc(CN2CCCCC23CC3)cc(F)c1F ZINC001232975519 818489662 /nfs/dbraw/zinc/48/96/62/818489662.db2.gz LZTKARIGJMGOMU-UHFFFAOYSA-N -1 3 253.292 3.189 20 0 CGADHM Cc1cccc(CN(C)Cc2cc(Cl)ncc2[O-])c1 ZINC001233033013 818504504 /nfs/dbraw/zinc/50/45/04/818504504.db2.gz XSAFULMNTTXERK-UHFFFAOYSA-N -1 3 276.767 3.381 20 0 CGADHM COc1cccc2c1CCN(Cc1cccc([O-])c1F)C2 ZINC001233054467 818512417 /nfs/dbraw/zinc/51/24/17/818512417.db2.gz NNBUQTHJENKGQP-UHFFFAOYSA-N -1 3 287.334 3.098 20 0 CGADHM [O-]c1ccc(F)c(CN2C[C@H]3[C@H](CCC3(F)F)C2)c1F ZINC001233393848 818609328 /nfs/dbraw/zinc/60/93/28/818609328.db2.gz OKVFSCFLEVTULX-SCZZXKLOSA-N -1 3 289.272 3.148 20 0 CGADHM CCOC(=O)[C@H]1CCC[C@H]1Oc1cc(Cl)c([O-])cc1C ZINC001233592391 818652774 /nfs/dbraw/zinc/65/27/74/818652774.db2.gz MLLUJBFHXIMDQY-GXFFZTMASA-N -1 3 298.766 3.465 20 0 CGADHM [O-]c1coc2ccc(OC[C@H]3CCc4ccccc4O3)cc12 ZINC001233676970 818677692 /nfs/dbraw/zinc/67/76/92/818677692.db2.gz BRXJXSRYOSLIDX-CQSZACIVSA-N -1 3 296.322 3.034 20 0 CGADHM Cc1cccc(OC[C@@H](C)Oc2ccc3occ([O-])c3c2)c1 ZINC001233680531 818678545 /nfs/dbraw/zinc/67/85/45/818678545.db2.gz KNYIPLSTNVTVMI-CYBMUJFWSA-N -1 3 298.338 3.416 20 0 CGADHM Cc1ccccc1OC[C@@H](C)Oc1ccc2occ([O-])c2c1 ZINC001233680525 818679058 /nfs/dbraw/zinc/67/90/58/818679058.db2.gz KCZKIYCDOBZDKO-CYBMUJFWSA-N -1 3 298.338 3.416 20 0 CGADHM C[C@@H]1c2cnccc2C[C@@H]1Oc1cccc([O-])c1F ZINC001233870026 818720982 /nfs/dbraw/zinc/72/09/82/818720982.db2.gz RVXKBPMXTKCPBT-OTYXRUKQSA-N -1 3 259.280 3.034 20 0 CGADHM C[C@H](Oc1cccc([O-])c1F)C(=O)OCc1ccccc1 ZINC001233872021 818722257 /nfs/dbraw/zinc/72/22/57/818722257.db2.gz SSYMAVUXPLQGSY-NSHDSACASA-N -1 3 290.290 3.042 20 0 CGADHM CCC(CC)[C@H](CC)Oc1cccc([O-])c1C(N)=O ZINC001234149386 818792123 /nfs/dbraw/zinc/79/21/23/818792123.db2.gz OHFYLWNGLLSJQN-LBPRGKRZSA-N -1 3 265.353 3.085 20 0 CGADHM C[C@@H](Oc1c(Cl)ccc([O-])c1F)c1cnccn1 ZINC001234263057 818820220 /nfs/dbraw/zinc/82/02/20/818820220.db2.gz PWKICXFBKMMTJC-SSDOTTSWSA-N -1 3 268.675 3.115 20 0 CGADHM [O-]c1ccc(Cl)c(OC[C@H]2CCC=CO2)c1F ZINC001234263836 818821251 /nfs/dbraw/zinc/82/12/51/818821251.db2.gz IGNBZFJSHHTDMS-MRVPVSSYSA-N -1 3 258.676 3.256 20 0 CGADHM C[C@H](Oc1nc2c(cccc2[O-])[nH]1)c1cccs1 ZINC001234448839 818858883 /nfs/dbraw/zinc/85/88/83/818858883.db2.gz CBNFLEGLDPXZGQ-QMMMGPOBSA-N -1 3 260.318 3.470 20 0 CGADHM C[C@@H]1CC[C@H](Oc2nc[n-]c(=O)c2-c2ccccc2)C1 ZINC001234692972 818916698 /nfs/dbraw/zinc/91/66/98/818916698.db2.gz SCSIBSXNTWVVFJ-YPMHNXCESA-N -1 3 270.332 3.417 20 0 CGADHM CCCOC[C@@H](C)Oc1c(C)c([O-])cc(OC)c1C(C)=O ZINC001234790137 818923856 /nfs/dbraw/zinc/92/38/56/818923856.db2.gz DKGYQYXJKDSGFU-SNVBAGLBSA-N -1 3 296.363 3.106 20 0 CGADHM c1cc2nc(OC[C@@H]3CC[C@@]4(CCCCO4)O3)[n-]c2s1 ZINC001234847004 818932148 /nfs/dbraw/zinc/93/21/48/818932148.db2.gz GMIQXTFGZCPEDF-IINYFYTJSA-N -1 3 294.376 3.079 20 0 CGADHM c1cc2[n-]c(OC[C@@H]3CC[C@@]4(CCCCO4)O3)nc2s1 ZINC001234847004 818932152 /nfs/dbraw/zinc/93/21/52/818932152.db2.gz GMIQXTFGZCPEDF-IINYFYTJSA-N -1 3 294.376 3.079 20 0 CGADHM CCN(CC)c1cc(-c2cc([O-])cc(Cl)c2)ncn1 ZINC001235899418 819209830 /nfs/dbraw/zinc/20/98/30/819209830.db2.gz QJLZDWCDXKQCMD-UHFFFAOYSA-N -1 3 277.755 3.349 20 0 CGADHM COc1cc(OC)nc(-c2cc([O-])cc(Cl)c2)c1 ZINC001235901496 819212485 /nfs/dbraw/zinc/21/24/85/819212485.db2.gz VLYVGMVMPJCDSB-UHFFFAOYSA-N -1 3 265.696 3.125 20 0 CGADHM COc1ccc(F)nc1-c1cc([O-])cc(Cl)c1 ZINC001235908232 819216808 /nfs/dbraw/zinc/21/68/08/819216808.db2.gz BNSAGUCYMZUZQH-UHFFFAOYSA-N -1 3 253.660 3.255 20 0 CGADHM CC(C)Nc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC001236484405 819498805 /nfs/dbraw/zinc/49/88/05/819498805.db2.gz ZKAQWQJHZFYWGZ-UHFFFAOYSA-N -1 3 279.347 3.354 20 0 CGADHM CC(C)Nc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC001236484405 819498810 /nfs/dbraw/zinc/49/88/10/819498810.db2.gz ZKAQWQJHZFYWGZ-UHFFFAOYSA-N -1 3 279.347 3.354 20 0 CGADHM [O-]c1cc(CN2CCC[C@H]2c2cccnc2)ccc1F ZINC001236703669 819576222 /nfs/dbraw/zinc/57/62/22/819576222.db2.gz POWPUIVPBGGOTI-HNNXBMFYSA-N -1 3 272.323 3.263 20 0 CGADHM Cc1cc2c(cc1-c1cc(F)cc(F)c1[O-])CC(=O)N2 ZINC001243504288 823422625 /nfs/dbraw/zinc/42/26/25/823422625.db2.gz KYFVJFVMBFPAMU-UHFFFAOYSA-N -1 3 275.254 3.140 20 0 CGADHM O=c1[n-]c(Cl)c(CN2CCc3c(F)cccc3C2)s1 ZINC001237164969 819685563 /nfs/dbraw/zinc/68/55/63/819685563.db2.gz LOUCAKRZCBBPIG-UHFFFAOYSA-N -1 3 298.770 3.200 20 0 CGADHM CCOC(=O)c1ccc(-c2cccc([O-])c2F)cc1 ZINC001243544997 823437429 /nfs/dbraw/zinc/43/74/29/823437429.db2.gz MQDGIRKIOWVKOK-UHFFFAOYSA-N -1 3 260.264 3.375 20 0 CGADHM COc1ccc(-c2cccc([O-])c2F)c(F)c1F ZINC001243544472 823437598 /nfs/dbraw/zinc/43/75/98/823437598.db2.gz HLYVAXNBOXAGLX-UHFFFAOYSA-N -1 3 254.207 3.485 20 0 CGADHM [O-]c1cccc(-c2ccc(N3CCCC3)nc2)c1F ZINC001243545194 823437981 /nfs/dbraw/zinc/43/79/81/823437981.db2.gz XFNLWJUFHIROIG-UHFFFAOYSA-N -1 3 258.296 3.194 20 0 CGADHM CC1(C)CNC(=O)c2cc(-c3cccc([O-])c3F)ccc21 ZINC001243545284 823438100 /nfs/dbraw/zinc/43/81/00/823438100.db2.gz BPBLBGCYXIZPMP-UHFFFAOYSA-N -1 3 285.318 3.219 20 0 CGADHM CCOC(=O)COc1ccc(-c2cccc([O-])c2F)cc1 ZINC001243547115 823439559 /nfs/dbraw/zinc/43/95/59/823439559.db2.gz MISASLXOEQDZJK-UHFFFAOYSA-N -1 3 290.290 3.140 20 0 CGADHM CCc1ccc(-c2cc(-c3nnn[n-]3)ccc2OC)cc1 ZINC001239588776 820437942 /nfs/dbraw/zinc/43/79/42/820437942.db2.gz GDXNUKMJBKHRLT-UHFFFAOYSA-N -1 3 280.331 3.105 20 0 CGADHM CCc1ccc(-c2cc(-c3nn[n-]n3)ccc2OC)cc1 ZINC001239588776 820437948 /nfs/dbraw/zinc/43/79/48/820437948.db2.gz GDXNUKMJBKHRLT-UHFFFAOYSA-N -1 3 280.331 3.105 20 0 CGADHM Cc1ccc(-c2ccc(C)c(-c3nnn[n-]3)c2)c(C)c1 ZINC001239811139 820626583 /nfs/dbraw/zinc/62/65/83/820626583.db2.gz WCOOKPQGOSBQTO-UHFFFAOYSA-N -1 3 264.332 3.459 20 0 CGADHM Cc1ccc(-c2ccc(C)c(-c3nn[n-]n3)c2)c(C)c1 ZINC001239811139 820626590 /nfs/dbraw/zinc/62/65/90/820626590.db2.gz WCOOKPQGOSBQTO-UHFFFAOYSA-N -1 3 264.332 3.459 20 0 CGADHM Fc1ccc(-c2nnn[n-]2)cc1-c1ccnc2ccccc21 ZINC001239852913 820658188 /nfs/dbraw/zinc/65/81/88/820658188.db2.gz KPAJJBBTBUABIF-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Fc1ccc(-c2nn[n-]n2)cc1-c1ccnc2ccccc21 ZINC001239852913 820658193 /nfs/dbraw/zinc/65/81/93/820658193.db2.gz KPAJJBBTBUABIF-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Fc1cc(-c2nnn[n-]2)cc(-c2cncc3ccccc32)c1 ZINC001239948257 820729178 /nfs/dbraw/zinc/72/91/78/820729178.db2.gz OESBSIICIBWNQK-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Fc1cc(-c2nn[n-]n2)cc(-c2cncc3ccccc32)c1 ZINC001239948257 820729182 /nfs/dbraw/zinc/72/91/82/820729182.db2.gz OESBSIICIBWNQK-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Cc1ccc(F)c(-c2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC001239965402 820743935 /nfs/dbraw/zinc/74/39/35/820743935.db2.gz SRTSEQIGTXPUDW-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM Cc1ccc(F)c(-c2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC001239965402 820743943 /nfs/dbraw/zinc/74/39/43/820743943.db2.gz SRTSEQIGTXPUDW-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM FC(F)(F)c1cc(-c2cnc(C3CC3)nc2)nc(=S)[n-]1 ZINC001240685253 821242685 /nfs/dbraw/zinc/24/26/85/821242685.db2.gz ZOJCJKDQONQRDU-UHFFFAOYSA-N -1 3 298.293 3.119 20 0 CGADHM O=C1CCc2cccc(-c3ccc([O-])c(F)c3)c2N1 ZINC001240786585 821326776 /nfs/dbraw/zinc/32/67/76/821326776.db2.gz ORVZQXPDTLMYJN-UHFFFAOYSA-N -1 3 257.264 3.083 20 0 CGADHM [O-]c1ccc(-c2ccc3c(c2)CCC32OCCO2)cc1F ZINC001240788387 821331358 /nfs/dbraw/zinc/33/13/58/821331358.db2.gz FLEHXCMZYBOIIA-UHFFFAOYSA-N -1 3 286.302 3.344 20 0 CGADHM COc1cc(F)c(-c2ccc([O-])c(F)c2)cc1OC ZINC001240790048 821332419 /nfs/dbraw/zinc/33/24/19/821332419.db2.gz HXFUJNKRLZUNQI-UHFFFAOYSA-N -1 3 266.243 3.355 20 0 CGADHM Cc1nc(-c2ccncc2)cc(-c2ccccc2[O-])n1 ZINC001241007833 821484195 /nfs/dbraw/zinc/48/41/95/821484195.db2.gz AILOMZCJBHXNMX-UHFFFAOYSA-N -1 3 263.300 3.220 20 0 CGADHM COc1c(C)cc(-c2ccccc2-c2nnn[n-]2)cc1C ZINC001241016910 821493792 /nfs/dbraw/zinc/49/37/92/821493792.db2.gz LJDQXZCSLADQDR-UHFFFAOYSA-N -1 3 280.331 3.159 20 0 CGADHM COc1c(C)cc(-c2ccccc2-c2nn[n-]n2)cc1C ZINC001241016910 821493795 /nfs/dbraw/zinc/49/37/95/821493795.db2.gz LJDQXZCSLADQDR-UHFFFAOYSA-N -1 3 280.331 3.159 20 0 CGADHM CC(C)Oc1cc(F)cc(-c2ccccc2-c2nnn[n-]2)c1 ZINC001241166183 821611321 /nfs/dbraw/zinc/61/13/21/821611321.db2.gz OZGPPHCNWNRQLD-UHFFFAOYSA-N -1 3 298.321 3.460 20 0 CGADHM CC(C)Oc1cc(F)cc(-c2ccccc2-c2nn[n-]n2)c1 ZINC001241166183 821611326 /nfs/dbraw/zinc/61/13/26/821611326.db2.gz OZGPPHCNWNRQLD-UHFFFAOYSA-N -1 3 298.321 3.460 20 0 CGADHM CCCCOc1ccc(-c2cncc(-c3nnn[n-]3)c2)cc1 ZINC001241268255 821686428 /nfs/dbraw/zinc/68/64/28/821686428.db2.gz GXTIVSOKTLQBQQ-UHFFFAOYSA-N -1 3 295.346 3.108 20 0 CGADHM CCCCOc1ccc(-c2cncc(-c3nn[n-]n3)c2)cc1 ZINC001241268255 821686430 /nfs/dbraw/zinc/68/64/30/821686430.db2.gz GXTIVSOKTLQBQQ-UHFFFAOYSA-N -1 3 295.346 3.108 20 0 CGADHM CC1(c2ccc(-c3cc([O-])cc(F)c3)cc2)COC1 ZINC001241271391 821690400 /nfs/dbraw/zinc/69/04/00/821690400.db2.gz FLKABZQQCQFGJU-UHFFFAOYSA-N -1 3 258.292 3.486 20 0 CGADHM COCOc1ccc(C)cc1-c1cc([O-])cc(F)c1 ZINC001241271868 821691108 /nfs/dbraw/zinc/69/11/08/821691108.db2.gz VBFSAIDGAVCZMV-UHFFFAOYSA-N -1 3 262.280 3.489 20 0 CGADHM CCOc1ccc(-c2ccc(C)c(-c3nnn[n-]3)c2)c(F)c1 ZINC001241276647 821695745 /nfs/dbraw/zinc/69/57/45/821695745.db2.gz DYZDJQCDLBXJQD-UHFFFAOYSA-N -1 3 298.321 3.380 20 0 CGADHM CCOc1ccc(-c2ccc(C)c(-c3nn[n-]n3)c2)c(F)c1 ZINC001241276647 821695752 /nfs/dbraw/zinc/69/57/52/821695752.db2.gz DYZDJQCDLBXJQD-UHFFFAOYSA-N -1 3 298.321 3.380 20 0 CGADHM CCOC(=O)Cc1ccc(-c2cc([O-])cc(F)c2)cc1F ZINC001241280735 821699532 /nfs/dbraw/zinc/69/95/32/821699532.db2.gz UOEQVTGJWRQJCP-UHFFFAOYSA-N -1 3 292.281 3.443 20 0 CGADHM CCC(=O)NCc1cccc(-c2c(F)ccc([O-])c2F)c1 ZINC001241290601 821707154 /nfs/dbraw/zinc/70/71/54/821707154.db2.gz ATNDYLWOKOKROZ-UHFFFAOYSA-N -1 3 291.297 3.364 20 0 CGADHM C[C@@H]1C(=O)Nc2cc(-c3c(F)ccc([O-])c3F)ccc21 ZINC001241291128 821708445 /nfs/dbraw/zinc/70/84/45/821708445.db2.gz KDKKWSKBBWCNPN-ZETCQYMHSA-N -1 3 275.254 3.393 20 0 CGADHM C[C@H]1Oc2ccc(-c3c(F)ccc([O-])c3F)cc2NC1=O ZINC001241292678 821709619 /nfs/dbraw/zinc/70/96/19/821709619.db2.gz HGAPFVKQAKYBRM-SSDOTTSWSA-N -1 3 291.253 3.057 20 0 CGADHM CCOc1cc(C)c(-c2c(F)ccc([O-])c2F)cn1 ZINC001241293033 821711152 /nfs/dbraw/zinc/71/11/52/821711152.db2.gz OVDWQPHEDFLHED-UHFFFAOYSA-N -1 3 265.259 3.440 20 0 CGADHM [O-]c1ccc(F)c(-c2ccc(N3CCOCC3)cc2)c1F ZINC001241292913 821711552 /nfs/dbraw/zinc/71/15/52/821711552.db2.gz NFZSJHQFTGRWCL-UHFFFAOYSA-N -1 3 291.297 3.174 20 0 CGADHM CC(=O)c1ccc(F)c(-c2ccc(C)c(-c3nnn[n-]3)c2)c1 ZINC001241304155 821718887 /nfs/dbraw/zinc/71/88/87/821718887.db2.gz ZANHWEXODYNLAM-UHFFFAOYSA-N -1 3 296.305 3.184 20 0 CGADHM CC(=O)c1ccc(F)c(-c2ccc(C)c(-c3nn[n-]n3)c2)c1 ZINC001241304155 821718888 /nfs/dbraw/zinc/71/88/88/821718888.db2.gz ZANHWEXODYNLAM-UHFFFAOYSA-N -1 3 296.305 3.184 20 0 CGADHM c1ccc2nc(-c3ccc(-c4nnn[n-]4)cc3)ccc2c1 ZINC001241441289 821836684 /nfs/dbraw/zinc/83/66/84/821836684.db2.gz SDJLQHGHPJYSEV-UHFFFAOYSA-N -1 3 273.299 3.082 20 0 CGADHM c1ccc2nc(-c3ccc(-c4nn[n-]n4)cc3)ccc2c1 ZINC001241441289 821836692 /nfs/dbraw/zinc/83/66/92/821836692.db2.gz SDJLQHGHPJYSEV-UHFFFAOYSA-N -1 3 273.299 3.082 20 0 CGADHM c1cc(-c2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc2)on1 ZINC001241444844 821838684 /nfs/dbraw/zinc/83/86/84/821838684.db2.gz XENIEIANASMPBK-UHFFFAOYSA-N -1 3 289.298 3.189 20 0 CGADHM c1cc(-c2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc2)on1 ZINC001241444844 821838689 /nfs/dbraw/zinc/83/86/89/821838689.db2.gz XENIEIANASMPBK-UHFFFAOYSA-N -1 3 289.298 3.189 20 0 CGADHM CSc1cc(F)cc(-c2ccc(-c3nnn[n-]3)cc2)c1 ZINC001241444797 821838808 /nfs/dbraw/zinc/83/88/08/821838808.db2.gz GTMKRGNMJDSASB-UHFFFAOYSA-N -1 3 286.335 3.395 20 0 CGADHM CSc1cc(F)cc(-c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001241444797 821838816 /nfs/dbraw/zinc/83/88/16/821838816.db2.gz GTMKRGNMJDSASB-UHFFFAOYSA-N -1 3 286.335 3.395 20 0 CGADHM CCCOc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1F ZINC001241445628 821840541 /nfs/dbraw/zinc/84/05/41/821840541.db2.gz RLNCVOHSNGZRMO-UHFFFAOYSA-N -1 3 298.321 3.462 20 0 CGADHM CCCOc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1F ZINC001241445628 821840544 /nfs/dbraw/zinc/84/05/44/821840544.db2.gz RLNCVOHSNGZRMO-UHFFFAOYSA-N -1 3 298.321 3.462 20 0 CGADHM CC(C)(C)c1ccc(-c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC001241444938 821841226 /nfs/dbraw/zinc/84/12/26/821841226.db2.gz JRWAPAGZGMLPEX-UHFFFAOYSA-N -1 3 279.347 3.226 20 0 CGADHM CC(C)(C)c1ccc(-c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC001241444938 821841235 /nfs/dbraw/zinc/84/12/35/821841235.db2.gz JRWAPAGZGMLPEX-UHFFFAOYSA-N -1 3 279.347 3.226 20 0 CGADHM Fc1ccc2c(c1)nccc2-c1ccc(-c2nnn[n-]2)cc1 ZINC001241445041 821841383 /nfs/dbraw/zinc/84/13/83/821841383.db2.gz JEIJUWIRXVOCRU-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Fc1ccc2c(c1)nccc2-c1ccc(-c2nn[n-]n2)cc1 ZINC001241445041 821841393 /nfs/dbraw/zinc/84/13/93/821841393.db2.gz JEIJUWIRXVOCRU-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM c1coc(-c2ccccc2-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC001241444914 821841964 /nfs/dbraw/zinc/84/19/64/821841964.db2.gz ZGCHXFCBVMKSCL-UHFFFAOYSA-N -1 3 289.298 3.189 20 0 CGADHM c1coc(-c2ccccc2-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC001241444914 821841974 /nfs/dbraw/zinc/84/19/74/821841974.db2.gz ZGCHXFCBVMKSCL-UHFFFAOYSA-N -1 3 289.298 3.189 20 0 CGADHM CCc1cccc(-c2cc(-c3nnn[n-]3)ccc2F)c1 ZINC001241547555 821938430 /nfs/dbraw/zinc/93/84/30/821938430.db2.gz XOINHYUTFKKWES-UHFFFAOYSA-N -1 3 268.295 3.235 20 0 CGADHM CCc1cccc(-c2cc(-c3nn[n-]n3)ccc2F)c1 ZINC001241547555 821938436 /nfs/dbraw/zinc/93/84/36/821938436.db2.gz XOINHYUTFKKWES-UHFFFAOYSA-N -1 3 268.295 3.235 20 0 CGADHM FC(F)(F)c1cc(-c2ccc3[nH]cnc3c2)nc(=S)[n-]1 ZINC001241688617 822070013 /nfs/dbraw/zinc/07/00/13/822070013.db2.gz YDTPXVFNLQQFKC-UHFFFAOYSA-N -1 3 296.277 3.327 20 0 CGADHM CCOc1ccc(-c2ccc3c(c2)[N-]C(=S)C3)cn1 ZINC001241707515 822091625 /nfs/dbraw/zinc/09/16/25/822091625.db2.gz PCSJOKAULXLVHZ-UHFFFAOYSA-N -1 3 270.357 3.443 20 0 CGADHM Cc1ccc(-c2cc(C)c(N)c(C)c2)cc1-c1nnn[n-]1 ZINC001241886522 822196387 /nfs/dbraw/zinc/19/63/87/822196387.db2.gz XOAMFTNDRXOPQY-UHFFFAOYSA-N -1 3 279.347 3.041 20 0 CGADHM Cc1ccc(-c2cc(C)c(N)c(C)c2)cc1-c1nn[n-]n1 ZINC001241886522 822196389 /nfs/dbraw/zinc/19/63/89/822196389.db2.gz XOAMFTNDRXOPQY-UHFFFAOYSA-N -1 3 279.347 3.041 20 0 CGADHM Nc1cnccc1-c1ccc([O-])c(C(F)(F)F)c1 ZINC001242158077 822899307 /nfs/dbraw/zinc/89/93/07/822899307.db2.gz RXOMKCMCNFLUDA-UHFFFAOYSA-N -1 3 254.211 3.055 20 0 CGADHM CC(=O)Nc1ccc(-c2ccc([O-])c(C(F)(F)F)c2)cn1 ZINC001242162059 822900515 /nfs/dbraw/zinc/90/05/15/822900515.db2.gz KJAUIKYGFWLBTJ-UHFFFAOYSA-N -1 3 296.248 3.431 20 0 CGADHM COc1ncc(-c2ccc(F)cc2[O-])c2cc[nH]c21 ZINC001242217933 822915188 /nfs/dbraw/zinc/91/51/88/822915188.db2.gz NAQMZSTUHXCJCN-UHFFFAOYSA-N -1 3 258.252 3.083 20 0 CGADHM c1cc(-c2nnn[n-]2)cc(-c2ccc3cnccc3c2)c1 ZINC001242247452 822926093 /nfs/dbraw/zinc/92/60/93/822926093.db2.gz UMWDGJDAKLRHGD-UHFFFAOYSA-N -1 3 273.299 3.082 20 0 CGADHM c1cc(-c2nn[n-]n2)cc(-c2ccc3cnccc3c2)c1 ZINC001242247452 822926098 /nfs/dbraw/zinc/92/60/98/822926098.db2.gz UMWDGJDAKLRHGD-UHFFFAOYSA-N -1 3 273.299 3.082 20 0 CGADHM c1cc2cc(-c3ccc(Cc4nnn[n-]4)cc3)ccc2cn1 ZINC001242247297 822926209 /nfs/dbraw/zinc/92/62/09/822926209.db2.gz XCQJQRDYVGLLKU-UHFFFAOYSA-N -1 3 287.326 3.006 20 0 CGADHM c1cc2cc(-c3ccc(Cc4nn[n-]n4)cc3)ccc2cn1 ZINC001242247297 822926211 /nfs/dbraw/zinc/92/62/11/822926211.db2.gz XCQJQRDYVGLLKU-UHFFFAOYSA-N -1 3 287.326 3.006 20 0 CGADHM Fc1ccc(-c2nnn[n-]2)cc1-c1ccc2cccnc2c1 ZINC001242251880 822927949 /nfs/dbraw/zinc/92/79/49/822927949.db2.gz QJWBKAJKKUZJKI-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Fc1ccc(-c2nn[n-]n2)cc1-c1ccc2cccnc2c1 ZINC001242251880 822927950 /nfs/dbraw/zinc/92/79/50/822927950.db2.gz QJWBKAJKKUZJKI-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM [O-]c1c(F)cccc1-c1ccc(OC(F)F)nc1 ZINC001242350815 822961141 /nfs/dbraw/zinc/96/11/41/822961141.db2.gz MCGCVXFLZVHHMA-UHFFFAOYSA-N -1 3 255.195 3.195 20 0 CGADHM CC(C)c1nnc2ccc(-c3cccc(F)c3[O-])cn21 ZINC001242352534 822962478 /nfs/dbraw/zinc/96/24/78/822962478.db2.gz XQOSNPXJXJPKGM-UHFFFAOYSA-N -1 3 271.295 3.364 20 0 CGADHM [O-]c1c(F)cccc1-c1cc(F)c2nccnc2c1 ZINC001242352550 822962719 /nfs/dbraw/zinc/96/27/19/822962719.db2.gz YFTSJNWAFFFWQI-UHFFFAOYSA-N -1 3 258.227 3.281 20 0 CGADHM CCOc1cc(C(=O)[N-]c2cc(F)ccc2Cl)on1 ZINC001352564162 937045257 /nfs/dbraw/zinc/04/52/57/937045257.db2.gz VIANWOVJGSMTQM-UHFFFAOYSA-N -1 3 284.674 3.118 20 0 CGADHM C[C@H](Oc1cccc([O-])c1Br)c1cnccn1 ZINC001229144047 927323388 /nfs/dbraw/zinc/32/33/88/927323388.db2.gz ZWTQOEZMUSFNEA-QMMMGPOBSA-N -1 3 295.136 3.085 20 0 CGADHM C[C@H]1CC[C@H](NC(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000356047439 927951110 /nfs/dbraw/zinc/95/11/10/927951110.db2.gz GITHVDCJIDGJNG-FZMZJTMJSA-N -1 3 269.344 3.464 20 0 CGADHM CC(=O)c1ccc(C(=O)N(C)[C@@H](C)c2ccccc2)cc1[O-] ZINC001440665654 937332788 /nfs/dbraw/zinc/33/27/88/937332788.db2.gz LNTSKTXDNHDFHK-LBPRGKRZSA-N -1 3 297.354 3.428 20 0 CGADHM CSc1ccc([O-])c(C(=O)NC[C@@H]2CC=CCC2)c1 ZINC001442413840 937342942 /nfs/dbraw/zinc/34/29/42/937342942.db2.gz PFCZZERXXNDJBD-LLVKDONJSA-N -1 3 277.389 3.200 20 0 CGADHM CC(=O)c1ccc(C(=O)NC2(c3ccccc3)CC2)cc1[O-] ZINC001442930681 937344861 /nfs/dbraw/zinc/34/48/61/937344861.db2.gz JQBABLRQSPWNTK-UHFFFAOYSA-N -1 3 295.338 3.014 20 0 CGADHM COc1cccc([O-])c1C(=O)NC[C@@H](C)c1cccc(C)c1 ZINC001444507771 937352666 /nfs/dbraw/zinc/35/26/66/937352666.db2.gz CIMRZKMGKCRUQA-CYBMUJFWSA-N -1 3 299.370 3.243 20 0 CGADHM O=C(NCCC(F)(F)F)c1cc2sccc2c([O-])c1 ZINC001444797768 937353904 /nfs/dbraw/zinc/35/39/04/937353904.db2.gz ITNQIGWGPQIQOX-UHFFFAOYSA-N -1 3 289.278 3.289 20 0 CGADHM C[C@H](NC(=O)c1ccccc1[O-])[C@@H]1CCC[C@@H](C)C1 ZINC001451545039 937391472 /nfs/dbraw/zinc/39/14/72/937391472.db2.gz XNSKNWDACGRYDP-FRRDWIJNSA-N -1 3 261.365 3.337 20 0 CGADHM CCc1ccc(C(=O)N[C@]23C[C@H]2CCCC3)c([O-])c1 ZINC001454710024 937411555 /nfs/dbraw/zinc/41/15/55/937411555.db2.gz WPWCFBBPDLPOBM-MLGOLLRUSA-N -1 3 259.349 3.017 20 0 CGADHM O=C([O-])[C@@H]1CN(C[C@H]2CC=CCC2)Cc2ccccc21 ZINC000402398909 932018081 /nfs/dbraw/zinc/01/80/81/932018081.db2.gz MUHOJCGHKDIHPD-XJKSGUPXSA-N -1 3 271.360 3.027 20 0 CGADHM CCCOC[C@H](C)Oc1nc(=S)[n-]c2scc(C)c21 ZINC001229351388 932136981 /nfs/dbraw/zinc/13/69/81/932136981.db2.gz ALMFTOCBZUJRRK-VIFPVBQESA-N -1 3 298.433 3.482 20 0 CGADHM CC(=O)[C@H](C)Oc1cc(C(=O)c2ccc(C)cc2)ccc1[O-] ZINC001229537003 932169214 /nfs/dbraw/zinc/16/92/14/932169214.db2.gz HZKGQPCLIREOAT-ZDUSSCGKSA-N -1 3 298.338 3.288 20 0 CGADHM Cc1nc(O[C@H](C)c2c(F)cccc2F)c(C)c(=O)[n-]1 ZINC001229683294 932188392 /nfs/dbraw/zinc/18/83/92/932188392.db2.gz DNHVJGRLQXGACV-MRVPVSSYSA-N -1 3 280.274 3.217 20 0 CGADHM Cc1nc(O[C@@H]2CCCc3ccccc32)c(C)c(=O)[n-]1 ZINC001229684968 932188932 /nfs/dbraw/zinc/18/89/32/932188932.db2.gz HFNUEGADJGDKPA-CQSZACIVSA-N -1 3 270.332 3.255 20 0 CGADHM CCCCC[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001231073007 932671540 /nfs/dbraw/zinc/67/15/40/932671540.db2.gz IHOYNJSWPQSIIG-NSHDSACASA-N -1 3 260.341 3.214 20 0 CGADHM CCOC(=O)c1c(Cl)[n-]c(=O)cc1O[C@@H]1CCC[C@@H]1C ZINC001231091699 932677259 /nfs/dbraw/zinc/67/72/59/932677259.db2.gz ZETLGYFVJVGXKL-DTWKUNHWSA-N -1 3 299.754 3.185 20 0 CGADHM COC(=O)c1cccc(-c2cc(C)c(F)c([O-])c2)c1OC ZINC001244515705 932708158 /nfs/dbraw/zinc/70/81/58/932708158.db2.gz KUQCRGLZBBVLOY-UHFFFAOYSA-N -1 3 290.290 3.302 20 0 CGADHM Cc1cc(S(=O)(=O)[N-][C@H](C)CC(C)C)sc1Cl ZINC001309334994 933231750 /nfs/dbraw/zinc/23/17/50/933231750.db2.gz RCUFDCIITJJVAT-SECBINFHSA-N -1 3 295.857 3.423 20 0 CGADHM CCc1cccc(C(=O)Nc2nc3ccccc3[nH]2)c1[O-] ZINC001463756664 937680129 /nfs/dbraw/zinc/68/01/29/937680129.db2.gz RGRPYQJJMGHMEE-UHFFFAOYSA-N -1 3 281.315 3.083 20 0 CGADHM CCOc1ccc(CNC(=O)c2ccc(CC)cc2[O-])cc1 ZINC001464058795 937685006 /nfs/dbraw/zinc/68/50/06/937685006.db2.gz ZPTMFFRBCSGZLD-UHFFFAOYSA-N -1 3 299.370 3.283 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])c1cncc2[nH]ccc21 ZINC001466262528 937707696 /nfs/dbraw/zinc/70/76/96/937707696.db2.gz XAHLJNYFGUNLAI-UHFFFAOYSA-N -1 3 287.706 3.174 20 0 CGADHM COc1cccc([O-])c1C(=O)N[C@@H](C)c1cccc(C)c1 ZINC001466338028 937707935 /nfs/dbraw/zinc/70/79/35/937707935.db2.gz YRZURGFRZIRIQZ-LBPRGKRZSA-N -1 3 285.343 3.200 20 0 CGADHM Cc1ccc([O-])c(NC(=O)/C(F)=C\C2CCCCC2)n1 ZINC001467593301 937719673 /nfs/dbraw/zinc/71/96/73/937719673.db2.gz XJOFEKRBWIZBDT-FMIVXFBMSA-N -1 3 278.327 3.468 20 0 CGADHM Cc1cc(C)cc(CC(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)c1 ZINC001468310718 937726802 /nfs/dbraw/zinc/72/68/02/937726802.db2.gz LKRSSZZORKCGPD-UHFFFAOYSA-N -1 3 295.342 3.067 20 0 CGADHM Cc1nc2ccccc2c(C)c1CC(=O)[N-]OC(C)(C)C ZINC001320345190 934035903 /nfs/dbraw/zinc/03/59/03/934035903.db2.gz SLDMKBLVJUHGIK-UHFFFAOYSA-N -1 3 286.375 3.240 20 0 CGADHM CCOc1c(Cl)cccc1CC(=O)[N-]OC(C)(C)C ZINC001320844975 934112634 /nfs/dbraw/zinc/11/26/34/934112634.db2.gz KZOWTFFKXYCIJB-UHFFFAOYSA-N -1 3 285.771 3.128 20 0 CGADHM Cc1ccc(C(=O)N[C@@]2(C)CCOc3ccccc32)c([O-])c1 ZINC001472034848 937771666 /nfs/dbraw/zinc/77/16/66/937771666.db2.gz RBMAUHBMMFGAFT-SFHVURJKSA-N -1 3 297.354 3.128 20 0 CGADHM CCC[C@@H](CNC(=O)c1cc2sccc2c([O-])c1)OC ZINC001324574033 934527146 /nfs/dbraw/zinc/52/71/46/934527146.db2.gz GDFJVRYWFOBXJB-NSHDSACASA-N -1 3 293.388 3.152 20 0 CGADHM C[C@@H]1CCCC[C@H]1CCNC(=O)c1c([O-])cccc1O ZINC001472509045 937777240 /nfs/dbraw/zinc/77/72/40/937777240.db2.gz MSAYGHSQZYLBHG-NEPJUHHUSA-N -1 3 277.364 3.044 20 0 CGADHM Cc1cc(NC(=O)c2c[n-]c3c(C)cccc3c2=O)cs1 ZINC001472606873 937777918 /nfs/dbraw/zinc/77/79/18/937777918.db2.gz PVOHVRZPRWYJOQ-UHFFFAOYSA-N -1 3 298.367 3.459 20 0 CGADHM C[C@@H](CCCCC(=O)[O-])NCc1nc2cc(F)ccc2o1 ZINC001333175242 935516196 /nfs/dbraw/zinc/51/61/96/935516196.db2.gz DQFLWSJQCUYXMZ-JTQLQIEISA-N -1 3 294.326 3.090 20 0 CGADHM CN(Cc1coc(-c2ccccc2)n1)C(C)(C)CC(=O)[O-] ZINC001334026453 936079990 /nfs/dbraw/zinc/07/99/90/936079990.db2.gz VZTQALREEJAKAH-UHFFFAOYSA-N -1 3 288.347 3.027 20 0 CGADHM CCC[C@@H](CC)[N-]S(=O)(=O)c1cc(C)c(F)cc1F ZINC001474907578 937880565 /nfs/dbraw/zinc/88/05/65/937880565.db2.gz SSZFRGJIPFTFMS-SNVBAGLBSA-N -1 3 291.363 3.130 20 0 CGADHM Cc1ccc([C@H](CC(F)(F)F)[N-]C(=O)C(F)F)cc1 ZINC001528117626 938065766 /nfs/dbraw/zinc/06/57/66/938065766.db2.gz KUOPAWFAQGFUDH-VIFPVBQESA-N -1 3 281.224 3.370 20 0 CGADHM O=C([N-]c1ccsn1)c1cc(-c2ccccc2)no1 ZINC001533255292 938089758 /nfs/dbraw/zinc/08/97/58/938089758.db2.gz XEPUTISAPXHZCL-UHFFFAOYSA-N -1 3 271.301 3.050 20 0 CGADHM O=C([N-]c1c(F)ccnc1F)c1cc2ccncc2s1 ZINC001534632542 938097129 /nfs/dbraw/zinc/09/71/29/938097129.db2.gz NSHUIQVWSKKANQ-UHFFFAOYSA-N -1 3 291.282 3.222 20 0 CGADHM CCCCCc1ccc(NC(=O)c2cc(=O)[n-]cn2)cc1 ZINC001538541026 938118708 /nfs/dbraw/zinc/11/87/08/938118708.db2.gz DXJYVAZLRRUUEX-UHFFFAOYSA-N -1 3 285.347 3.167 20 0 CGADHM Cc1cccc([O-])c1C(=O)NCC1(c2ccc(F)cc2)CC1 ZINC001541028521 938134600 /nfs/dbraw/zinc/13/46/00/938134600.db2.gz NGKZEXRRRSLODA-UHFFFAOYSA-N -1 3 299.345 3.301 20 0 CGADHM CCc1cc(=O)[n-]c(-c2ccc(N(C)[C@H](C)C3CC3)nc2)n1 ZINC001548507011 938151642 /nfs/dbraw/zinc/15/16/42/938151642.db2.gz RIZNBQQZQQDTKL-LLVKDONJSA-N -1 3 298.390 3.041 20 0 CGADHM COc1cccc([O-])c1C(=O)N1CC[C@H]1C1CCCCC1 ZINC001551752278 938185406 /nfs/dbraw/zinc/18/54/06/938185406.db2.gz RXFLJVDEOOFUPV-ZDUSSCGKSA-N -1 3 289.375 3.196 20 0 CGADHM O=C(Cc1cccc([O-])c1F)NC[C@@H]1CCCC2(CC2)C1 ZINC001551833907 938187408 /nfs/dbraw/zinc/18/74/08/938187408.db2.gz CZSWLDSEWMWTBC-GFCCVEGCSA-N -1 3 291.366 3.160 20 0 CGADHM C[C@H]1Cc2cc(C(=O)Nc3cc(F)ccc3[O-])ccc2O1 ZINC001556082255 938201552 /nfs/dbraw/zinc/20/15/52/938201552.db2.gz HCAJETQXJIQYTL-VIFPVBQESA-N -1 3 287.290 3.107 20 0 CGADHM CCCC[C@@H](O)CCC(=O)Nc1ccc(Cl)cc1[O-] ZINC001556082116 938201615 /nfs/dbraw/zinc/20/16/15/938201615.db2.gz ZYSCHZXDYIWNGQ-LLVKDONJSA-N -1 3 285.771 3.315 20 0 CGADHM CC(C)c1ccc(C(=O)N[C@H]2CCCC2(F)F)c([O-])c1 ZINC001556902546 938206515 /nfs/dbraw/zinc/20/65/15/938206515.db2.gz NFSWNTXRJIXKHX-ZDUSSCGKSA-N -1 3 283.318 3.433 20 0 CGADHM COc1ccccc1[C@@H](C)NC(=O)c1c(C)cccc1[O-] ZINC001558008324 938213005 /nfs/dbraw/zinc/21/30/05/938213005.db2.gz ATABNOOVGSXFMG-GFCCVEGCSA-N -1 3 285.343 3.200 20 0 CGADHM Cc1cccc([O-])c1C(=O)NC[C@@H]1C[C@H]1C1CCCC1 ZINC001558843704 938218060 /nfs/dbraw/zinc/21/80/60/938218060.db2.gz WAGPCFGBGISRJK-KBPBESRZSA-N -1 3 273.376 3.257 20 0 CGADHM COC(=O)c1cnc(SCc2ccc3cnccc3c2)[n-]1 ZINC001559400580 938226145 /nfs/dbraw/zinc/22/61/45/938226145.db2.gz JOCKEYHLDDJSKO-UHFFFAOYSA-N -1 3 299.355 3.037 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)Sc2ccc3n[nH]cc3c2)n1 ZINC001559424304 938226433 /nfs/dbraw/zinc/22/64/33/938226433.db2.gz DNRBKANIXIPSOA-VIFPVBQESA-N -1 3 286.360 3.220 20 0 CGADHM CC(C)C[C@H](N[C@@H](C)c1c(F)cccc1F)C(=O)[O-] ZINC000043431971 957430517 /nfs/dbraw/zinc/43/05/17/957430517.db2.gz KBIBXOGUGJVSIV-CABZTGNLSA-N -1 3 271.307 3.115 20 0 CGADHM C[C@H](NCc1ccccc1CC(=O)[O-])c1ccsc1 ZINC000123423147 958500597 /nfs/dbraw/zinc/50/05/97/958500597.db2.gz NWXDPTGYVHMAOF-NSHDSACASA-N -1 3 275.373 3.226 20 0 CGADHM O=C([O-])[C@H]1CCCCCN1Cc1cc(F)ccc1Cl ZINC000124469058 958532492 /nfs/dbraw/zinc/53/24/92/958532492.db2.gz MDEJEUOVJZBTMG-CYBMUJFWSA-N -1 3 285.746 3.308 20 0 CGADHM CCc1ccccc1CNCc1ccc(C(=O)[O-])c(F)c1 ZINC000234122097 960339732 /nfs/dbraw/zinc/33/97/32/960339732.db2.gz ZVEQOZRBTXQJRQ-UHFFFAOYSA-N -1 3 287.334 3.376 20 0 CGADHM O=C(CC/C=C/c1ccccc1)[N-]OCc1ccccn1 ZINC001570186482 961921502 /nfs/dbraw/zinc/92/15/02/961921502.db2.gz PHDOMDOOTXUHTQ-ONNFQVAWSA-N -1 3 282.343 3.123 20 0 CGADHM COc1ccc([O-])c(C(=O)Nc2ccc(F)c(F)c2C)c1 ZINC001570283255 961944419 /nfs/dbraw/zinc/94/44/19/961944419.db2.gz HZQROLCCIFAGSF-UHFFFAOYSA-N -1 3 293.269 3.240 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2cncc(SC)c2)c1 ZINC001570467980 961981054 /nfs/dbraw/zinc/98/10/54/961981054.db2.gz PGTOAUXHGAWPBG-UHFFFAOYSA-N -1 3 288.372 3.324 20 0 CGADHM CC1(C)CN(CCC2(C(=O)[O-])CCC2)[C@@H]1c1cccnc1 ZINC001573676214 962267544 /nfs/dbraw/zinc/26/75/44/962267544.db2.gz WDTJEDXIRQJIFL-CQSZACIVSA-N -1 3 288.391 3.110 20 0 CGADHM C[C@H](CNc1cc(F)cc(-c2nnn[n-]2)c1)C(C)(C)C ZINC001575125501 962355269 /nfs/dbraw/zinc/35/52/69/962355269.db2.gz ZJEXHGKIXLHGME-SECBINFHSA-N -1 3 277.347 3.100 20 0 CGADHM C[C@H](CNc1cc(F)cc(-c2nn[n-]n2)c1)C(C)(C)C ZINC001575125501 962355280 /nfs/dbraw/zinc/35/52/80/962355280.db2.gz ZJEXHGKIXLHGME-SECBINFHSA-N -1 3 277.347 3.100 20 0 CGADHM C[C@@H]1CCC[C@@H](COc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001576150554 962439492 /nfs/dbraw/zinc/43/94/92/962439492.db2.gz BKQDXNVXPATFHT-VXGBXAGGSA-N -1 3 272.352 3.072 20 0 CGADHM C[C@H]1CCCC[C@@H]1CNc1cccc(F)c1-c1nnn[n-]1 ZINC001576171713 962443200 /nfs/dbraw/zinc/44/32/00/962443200.db2.gz RGPORRMIJSWGAJ-WDEREUQCSA-N -1 3 289.358 3.244 20 0 CGADHM C[C@H]1CCCC[C@@H]1CNc1cccc(F)c1-c1nn[n-]n1 ZINC001576171713 962443211 /nfs/dbraw/zinc/44/32/11/962443211.db2.gz RGPORRMIJSWGAJ-WDEREUQCSA-N -1 3 289.358 3.244 20 0 CGADHM Cc1cccc([C@H](C)Sc2ccncc2-c2nnn[n-]2)c1 ZINC001581233634 962754859 /nfs/dbraw/zinc/75/48/59/962754859.db2.gz VEJQRGBTIASDPY-NSHDSACASA-N -1 3 297.387 3.423 20 0 CGADHM Cc1cccc([C@H](C)Sc2ccncc2-c2nn[n-]n2)c1 ZINC001581233634 962754869 /nfs/dbraw/zinc/75/48/69/962754869.db2.gz VEJQRGBTIASDPY-NSHDSACASA-N -1 3 297.387 3.423 20 0 CGADHM c1cc(-c2nnn[n-]2)cc2c1CCN2CC1CCCCCC1 ZINC001582817316 962758283 /nfs/dbraw/zinc/75/82/83/962758283.db2.gz CQICCQZNLRZRNG-UHFFFAOYSA-N -1 3 297.406 3.200 20 0 CGADHM c1cc(-c2nn[n-]n2)cc2c1CCN2CC1CCCCCC1 ZINC001582817316 962758298 /nfs/dbraw/zinc/75/82/98/962758298.db2.gz CQICCQZNLRZRNG-UHFFFAOYSA-N -1 3 297.406 3.200 20 0 CGADHM CCc1cccc(C(=O)N2CCc3ccc(C)cc3C2)c1[O-] ZINC001583897253 962869263 /nfs/dbraw/zinc/86/92/63/962869263.db2.gz NBWPAIBTEKBPHO-UHFFFAOYSA-N -1 3 295.382 3.462 20 0 CGADHM CCS[C@H]1CCC[C@@H](NC(=O)c2c(C)cccc2[O-])C1 ZINC001587545138 963205137 /nfs/dbraw/zinc/20/51/37/963205137.db2.gz ZSIGLKYVZPSRSW-OLZOCXBDSA-N -1 3 293.432 3.495 20 0 CGADHM Cc1cccc(C(=O)Nc2cccc3c2OCCCO3)c1[O-] ZINC001588089996 963246498 /nfs/dbraw/zinc/24/64/98/963246498.db2.gz XPFVRMRBNLLYAB-UHFFFAOYSA-N -1 3 299.326 3.114 20 0 CGADHM CC(C)(C)CC(C)(C)NC(=O)c1cc2c(cc1[O-])OCO2 ZINC001588074286 963247156 /nfs/dbraw/zinc/24/71/56/963247156.db2.gz WJCXCANHDMKZER-UHFFFAOYSA-N -1 3 293.363 3.066 20 0 CGADHM Cc1[nH]c(CN[C@H](C)c2ccc(F)cc2)cc1C(=O)[O-] ZINC000312353533 963556772 /nfs/dbraw/zinc/55/67/72/963556772.db2.gz NCGPGJUNZUCVHS-SECBINFHSA-N -1 3 276.311 3.011 20 0 CGADHM CC(C)=CCSc1ccc(-c2nnn[n-]2)c(C)c1 ZINC001589380438 963981905 /nfs/dbraw/zinc/98/19/05/963981905.db2.gz XOFMYRWXWQNSKB-UHFFFAOYSA-N -1 3 260.366 3.233 20 0 CGADHM CC(C)=CCSc1ccc(-c2nn[n-]n2)c(C)c1 ZINC001589380438 963981913 /nfs/dbraw/zinc/98/19/13/963981913.db2.gz XOFMYRWXWQNSKB-UHFFFAOYSA-N -1 3 260.366 3.233 20 0 CGADHM CC(C)CCCSc1ccc(-c2nnn[n-]2)cc1 ZINC001589597561 964006596 /nfs/dbraw/zinc/00/65/96/964006596.db2.gz JMGVTXXVDJGREV-UHFFFAOYSA-N -1 3 262.382 3.395 20 0 CGADHM CC(C)CCCSc1ccc(-c2nn[n-]n2)cc1 ZINC001589597561 964006607 /nfs/dbraw/zinc/00/66/07/964006607.db2.gz JMGVTXXVDJGREV-UHFFFAOYSA-N -1 3 262.382 3.395 20 0 CGADHM CO[C@@H]1CCN(Cc2cccc(C(=O)[O-])c2Cl)[C@@H](C)C1 ZINC000394505901 972716131 /nfs/dbraw/zinc/71/61/31/972716131.db2.gz VIYSRMIFNQUERR-CMPLNLGQSA-N -1 3 297.782 3.038 20 0 CGADHM CC[C@H](N[C@@H](C(=O)[O-])c1cccnc1)c1ccc(C)cc1 ZINC001595277683 980307869 /nfs/dbraw/zinc/30/78/69/980307869.db2.gz XVCUMCDDUWTOOY-JKSUJKDBSA-N -1 3 284.359 3.257 20 0 CGADHM CC[C@H](C)[C@H](C)N1CCc2c(C(=O)[O-])ccc(OC)c2C1 ZINC001594882824 982251041 /nfs/dbraw/zinc/25/10/41/982251041.db2.gz ZMAAUQPWDOXVEE-RYUDHWBXSA-N -1 3 291.391 3.186 20 0 CGADHM CCCCCN1CCC[C@@H]1c1nc(C(=O)[O-])c(C)s1 ZINC001595716790 982325526 /nfs/dbraw/zinc/32/55/26/982325526.db2.gz MFCNUELTHFGNFK-LLVKDONJSA-N -1 3 282.409 3.477 20 0 CGADHM CCN(Cc1cc(C(=O)[O-])c(C)[nH]1)Cc1ccccc1 ZINC001596371373 983868772 /nfs/dbraw/zinc/86/87/72/983868772.db2.gz PHPIGTAVLPAVCC-UHFFFAOYSA-N -1 3 272.348 3.043 20 0 CGADHM CCc1[nH]c(CN[C@@H](C)c2ccccc2)cc1C(=O)[O-] ZINC001597392794 987628043 /nfs/dbraw/zinc/62/80/43/987628043.db2.gz XFKMMSUVENNCCN-NSHDSACASA-N -1 3 272.348 3.126 20 0 CGADHM CC(C)=CCN[C@H](C(=O)[O-])c1ccccc1Cl ZINC001590924239 990921041 /nfs/dbraw/zinc/92/10/41/990921041.db2.gz DTDZCZJCMHGWQW-LBPRGKRZSA-N -1 3 253.729 3.022 20 0 CGADHM CC(C)[C@@H]1CCN1Cc1ccc(C(=O)[O-])c(Cl)c1 ZINC001591095237 991678413 /nfs/dbraw/zinc/67/84/13/991678413.db2.gz SUHIJBGKRAQZIU-ZDUSSCGKSA-N -1 3 267.756 3.269 20 0 CGADHM CC(C)CC1CCN(Cc2ccc(C(=O)[O-])cn2)CC1 ZINC001591210963 992049660 /nfs/dbraw/zinc/04/96/60/992049660.db2.gz JBLZTDVPASALMY-UHFFFAOYSA-N -1 3 276.380 3.038 20 0 CGADHM C[C@@H](N[C@H](C(=O)[O-])c1cccc(Cl)c1)c1cccnc1 ZINC001593194674 994139329 /nfs/dbraw/zinc/13/93/29/994139329.db2.gz LFKFWQVRLAIWSU-YGRLFVJLSA-N -1 3 290.750 3.212 20 0 CGADHM COc1ccc(CNCc2ccsc2C(=O)[O-])c(C)c1 ZINC001599572941 998394957 /nfs/dbraw/zinc/39/49/57/998394957.db2.gz NEIDDANAOFQYGI-UHFFFAOYSA-N -1 3 291.372 3.053 20 0 CGADHM CC(C)c1[nH]c(CN2CCC[C@@H](C)C2)cc1C(=O)[O-] ZINC001594383337 999447871 /nfs/dbraw/zinc/44/78/71/999447871.db2.gz IBYODLSUTPGTFX-LLVKDONJSA-N -1 3 264.369 3.068 20 0 CGADHM CCc1ccc([O-])c(C(=O)N(C)C[C@@H]2CC2(C)C)c1 ZINC000621048815 349451942 /nfs/dbraw/zinc/45/19/42/349451942.db2.gz ASWBMPPKLCOKBL-LBPRGKRZSA-N -1 3 261.365 3.073 20 0 CGADHM CCC(CC)(CC)CNC(=O)c1cc(F)cc2nn[n-]c21 ZINC000337528309 214140310 /nfs/dbraw/zinc/14/03/10/214140310.db2.gz QRPIKNCDUMEEFC-UHFFFAOYSA-N -1 3 292.358 3.043 20 0 CGADHM CCC(CC)(CC)CNC(=O)c1cc(F)cc2[n-]nnc21 ZINC000337528309 214140313 /nfs/dbraw/zinc/14/03/13/214140313.db2.gz QRPIKNCDUMEEFC-UHFFFAOYSA-N -1 3 292.358 3.043 20 0 CGADHM CCC(CC)(CC)CNC(=O)c1cc(F)cc2n[n-]nc21 ZINC000337528309 214140316 /nfs/dbraw/zinc/14/03/16/214140316.db2.gz QRPIKNCDUMEEFC-UHFFFAOYSA-N -1 3 292.358 3.043 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])[C@H]1C[C@@H]1C1CCCC1 ZINC000651586425 398256442 /nfs/dbraw/zinc/25/64/42/398256442.db2.gz ABOQUDCWGZSAFL-NEPJUHHUSA-N -1 3 263.312 3.296 20 0 CGADHM O=C(Nc1ccc([O-])cc1F)[C@H]1C[C@@H]1C1CCCC1 ZINC000651687441 398269793 /nfs/dbraw/zinc/26/97/93/398269793.db2.gz CPYBTBAKUSVGBS-NEPJUHHUSA-N -1 3 263.312 3.296 20 0 CGADHM CCOc1cncc(C=Cc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000621988525 349617924 /nfs/dbraw/zinc/61/79/24/349617924.db2.gz DMPALDXXCUBXNC-UTCJRWHESA-N -1 3 283.331 3.024 20 0 CGADHM CC[C@]1(C)CCCN(C(=O)c2cc(C)ccc2[O-])C1 ZINC000174752818 529394384 /nfs/dbraw/zinc/39/43/84/529394384.db2.gz SZAXJAWZAFAMBO-MRXNPFEDSA-N -1 3 261.365 3.353 20 0 CGADHM CCCN1C(=O)c2ccccc2N[C@H]1c1nc(C)ccc1[O-] ZINC000590949302 346889612 /nfs/dbraw/zinc/88/96/12/346889612.db2.gz PUTBRXHJTMZJGY-MRXNPFEDSA-N -1 3 297.358 3.072 20 0 CGADHM CC[C@@H](CC(F)(F)F)NC(=O)c1ccc(C)c(C)c1[O-] ZINC000436983653 529458721 /nfs/dbraw/zinc/45/87/21/529458721.db2.gz XLFGDHZEUJDGNW-JTQLQIEISA-N -1 3 289.297 3.470 20 0 CGADHM CCN=c1[n-]c(C(=O)Nc2cccc(C(C)C)c2)cs1 ZINC000622280750 349666989 /nfs/dbraw/zinc/66/69/89/349666989.db2.gz HVXJURGAZBCKOQ-UHFFFAOYSA-N -1 3 289.404 3.373 20 0 CGADHM C[C@H](CC1CCCCC1)NC(=O)c1ccccc1[O-] ZINC000622563359 349687026 /nfs/dbraw/zinc/68/70/26/349687026.db2.gz BCGSKFAYIBULTR-GFCCVEGCSA-N -1 3 261.365 3.481 20 0 CGADHM Cc1ccc([O-])c(C(=O)NCC23CCC(CC2)C3)c1 ZINC000622466440 349682319 /nfs/dbraw/zinc/68/23/19/349682319.db2.gz GYFHGEIEMKHKEY-UHFFFAOYSA-N -1 3 259.349 3.011 20 0 CGADHM CC[C@@H](Cc1ccccc1)NC(=O)c1cccc(OC)c1[O-] ZINC000436527918 529544906 /nfs/dbraw/zinc/54/49/06/529544906.db2.gz FTDYQQSLQHQBHZ-AWEZNQCLSA-N -1 3 299.370 3.152 20 0 CGADHM O=C(c1ccccc1[O-])N1CCC[C@@H](Nc2ccccc2)C1 ZINC000126055573 187213399 /nfs/dbraw/zinc/21/33/99/187213399.db2.gz CJOOARZNIBOXOP-OAHLLOKOSA-N -1 3 296.370 3.109 20 0 CGADHM CCc1ccc(C(=O)N(C)C[C@H]2CC=CCC2)c([O-])c1 ZINC000436842376 529592108 /nfs/dbraw/zinc/59/21/08/529592108.db2.gz VNMKVPFUEDBEGU-AWEZNQCLSA-N -1 3 273.376 3.383 20 0 CGADHM CCc1ccc(C(=O)N(CC)CC(C)(C)C)c([O-])c1 ZINC000436837537 529593544 /nfs/dbraw/zinc/59/35/44/529593544.db2.gz KAFTUCGBBOHCJY-UHFFFAOYSA-N -1 3 263.381 3.463 20 0 CGADHM CCc1ccc(C(=O)N[C@@H](C)CC(F)(F)F)c([O-])c1 ZINC000436841503 529606739 /nfs/dbraw/zinc/60/67/39/529606739.db2.gz SKRLNCPPSJXKHU-QMMMGPOBSA-N -1 3 275.270 3.025 20 0 CGADHM CCc1ccc(NC(=O)c2ccc3n[n-]nc3c2)cc1C ZINC000354993621 529686854 /nfs/dbraw/zinc/68/68/54/529686854.db2.gz BWEPHPMBFRBSQW-UHFFFAOYSA-N -1 3 280.331 3.081 20 0 CGADHM CCc1ccc(O)c(NC(=O)c2cc(C)ccc2[O-])c1 ZINC000436600357 529692981 /nfs/dbraw/zinc/69/29/81/529692981.db2.gz GYVKJPCVPFKGIS-UHFFFAOYSA-N -1 3 271.316 3.221 20 0 CGADHM Cc1ccc(NC(=O)[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)c([O-])c1 ZINC000623416110 349802527 /nfs/dbraw/zinc/80/25/27/349802527.db2.gz JRXLYJYHQGATMG-XOKHGSTOSA-N -1 3 279.339 3.225 20 0 CGADHM CCc1ccc([C@H](NCc2cccc(F)c2)C(=O)[O-])cc1 ZINC000426801121 529726454 /nfs/dbraw/zinc/72/64/54/529726454.db2.gz QDGMZTNUFJONST-INIZCTEOSA-N -1 3 287.334 3.304 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CCC[C@H]1c1ccncc1 ZINC000623692756 349867976 /nfs/dbraw/zinc/86/79/76/349867976.db2.gz RPFZEVZKPHVNKD-AWEZNQCLSA-N -1 3 282.343 3.073 20 0 CGADHM CN(Cc1cccc2[nH]ccc21)C(=O)c1ccccc1[O-] ZINC000436800801 529996360 /nfs/dbraw/zinc/99/63/60/529996360.db2.gz XXXNXWFIOMWINV-UHFFFAOYSA-N -1 3 280.327 3.146 20 0 CGADHM Cc1ccc(NC(=O)CCc2ccc(F)cc2)c([O-])c1 ZINC000007284978 344867914 /nfs/dbraw/zinc/86/79/14/344867914.db2.gz RONQJQZAOKRWDL-UHFFFAOYSA-N -1 3 273.307 3.411 20 0 CGADHM C[C@H](NC(=O)c1ccccc1[O-])c1ccc(F)cc1F ZINC000023546064 344897919 /nfs/dbraw/zinc/89/79/19/344897919.db2.gz VZDDIYIQQCJJSW-VIFPVBQESA-N -1 3 277.270 3.161 20 0 CGADHM O=C(/C=C/c1nc2ccccc2o1)[N-]OCc1ccccc1 ZINC000025283790 344902131 /nfs/dbraw/zinc/90/21/31/344902131.db2.gz RSWUETQQVDXYML-ZHACJKMWSA-N -1 3 294.310 3.089 20 0 CGADHM Cc1oc(CN(C)C2CCC(C)CC2)cc1C(=O)[O-] ZINC000048970663 345069817 /nfs/dbraw/zinc/06/98/17/345069817.db2.gz YWVRDYVBHGEKJS-UHFFFAOYSA-N -1 3 265.353 3.297 20 0 CGADHM CCc1c(C(=O)Nc2ccccc2[O-])[nH]c(C)c1C(C)=O ZINC000048345640 345064629 /nfs/dbraw/zinc/06/46/29/345064629.db2.gz FBBIODSOKVLCFP-UHFFFAOYSA-N -1 3 286.331 3.046 20 0 CGADHM Cc1oc(C(=O)[O-])cc1CN(C)CC1CCCCC1 ZINC000051361580 345089541 /nfs/dbraw/zinc/08/95/41/345089541.db2.gz ALDWYVYRVRPKPU-UHFFFAOYSA-N -1 3 265.353 3.298 20 0 CGADHM CCOc1cccc([C@H](C)NC(=O)c2ccccc2[O-])c1 ZINC000062909759 345241640 /nfs/dbraw/zinc/24/16/40/345241640.db2.gz XMFMXHGROKVSOF-LBPRGKRZSA-N -1 3 285.343 3.282 20 0 CGADHM CCc1ccc([O-])c(C(=O)N[C@@H](C)c2nc(C)cs2)c1 ZINC000069488238 345381342 /nfs/dbraw/zinc/38/13/42/345381342.db2.gz HLBZUVTWUKESOB-JTQLQIEISA-N -1 3 290.388 3.211 20 0 CGADHM C[C@@H]1c2ccsc2CCN1CCCCCC(=O)[O-] ZINC000071286566 345402374 /nfs/dbraw/zinc/40/23/74/345402374.db2.gz MQRQNNQBHHYGAB-LLVKDONJSA-N -1 3 267.394 3.312 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])c1ccc(Cl)cn1 ZINC000076991347 345556712 /nfs/dbraw/zinc/55/67/12/345556712.db2.gz IZTKHDMJHILNTG-UHFFFAOYSA-N -1 3 283.114 3.346 20 0 CGADHM [O-]c1ccc(CNc2ncnc3ccc(F)cc32)cc1F ZINC000078020026 345588961 /nfs/dbraw/zinc/58/89/61/345588961.db2.gz MQSBSDCXPMHGAE-UHFFFAOYSA-N -1 3 287.269 3.226 20 0 CGADHM CC(C)c1ccc(C(=O)N(C)Cc2cccc(O)c2)c([O-])c1 ZINC000080382482 345673153 /nfs/dbraw/zinc/67/31/53/345673153.db2.gz KATSEUUNXRXMSV-UHFFFAOYSA-N -1 3 299.370 3.493 20 0 CGADHM Cc1ccc(C(=O)Nc2cc(C)cc(F)c2)c([O-])c1 ZINC000091516327 345817768 /nfs/dbraw/zinc/81/77/68/345817768.db2.gz AAACXAWEXFQUQQ-UHFFFAOYSA-N -1 3 259.280 3.400 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2cc(C)cc(F)c2)c1 ZINC000091516345 345818027 /nfs/dbraw/zinc/81/80/27/345818027.db2.gz MDHSXUHABAPJFC-UHFFFAOYSA-N -1 3 259.280 3.400 20 0 CGADHM CCc1cccc(C(=O)N2C[C@H](C)CC[C@H]2C)c1[O-] ZINC000091989912 345827372 /nfs/dbraw/zinc/82/73/72/345827372.db2.gz LTVVLUYXUOECSF-VXGBXAGGSA-N -1 3 261.365 3.215 20 0 CGADHM CC(C)(C)Oc1ccccc1[N-]S(=O)(=O)CCC1CC1 ZINC000092276362 345834408 /nfs/dbraw/zinc/83/44/08/345834408.db2.gz HTVIYNSBIJQZSW-UHFFFAOYSA-N -1 3 297.420 3.406 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])c1ccc2c(c1)CCO2 ZINC000107348795 345933967 /nfs/dbraw/zinc/93/39/67/345933967.db2.gz GJTDPSNBMNWPDF-UHFFFAOYSA-N -1 3 289.718 3.233 20 0 CGADHM C[C@@H](c1ccccc1)N1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC000109920860 345944009 /nfs/dbraw/zinc/94/40/09/345944009.db2.gz VNCJKABMRIDKEL-GXFFZTMASA-N -1 3 287.281 3.087 20 0 CGADHM C[C@H](Cc1ccccc1F)C(=O)Nc1cccc([O-])c1F ZINC000128853970 346044179 /nfs/dbraw/zinc/04/41/79/346044179.db2.gz YYZRDDSENKFMBL-SNVBAGLBSA-N -1 3 291.297 3.488 20 0 CGADHM C[C@@H]1CCN(Cc2c(F)cccc2Cl)[C@H](C(=O)[O-])C1 ZINC000129409263 346049560 /nfs/dbraw/zinc/04/95/60/346049560.db2.gz UQMWFEBHXDKVIK-RNCFNFMXSA-N -1 3 285.746 3.164 20 0 CGADHM O=C([O-])C1CN(Cc2ccc(-c3ccccc3F)s2)C1 ZINC000143781790 346115556 /nfs/dbraw/zinc/11/55/56/346115556.db2.gz CBWMODDEFFQFAC-UHFFFAOYSA-N -1 3 291.347 3.071 20 0 CGADHM COCc1cccc(C(=O)Nc2ccc(Cl)cc2[O-])c1 ZINC000153619849 346145867 /nfs/dbraw/zinc/14/58/67/346145867.db2.gz TVLYEFKCKGAPRT-UHFFFAOYSA-N -1 3 291.734 3.444 20 0 CGADHM Cc1nc(C(=O)Nc2cc(Cl)ccc2[O-])c(C)s1 ZINC000178826206 232399235 /nfs/dbraw/zinc/39/92/35/232399235.db2.gz ZIDUMSFPBQXXNX-UHFFFAOYSA-N -1 3 282.752 3.371 20 0 CGADHM C[C@H]1CCCN1Cc1ccc(C(=O)[O-])cc1Br ZINC000226720576 346306920 /nfs/dbraw/zinc/30/69/20/346306920.db2.gz VUZWUUSLAQRMEA-VIFPVBQESA-N -1 3 298.180 3.132 20 0 CGADHM CC(C)[C@@]1(C(=O)[O-])CCN(Cc2c(F)cccc2Cl)C1 ZINC000232779732 346327750 /nfs/dbraw/zinc/32/77/50/346327750.db2.gz DSXSMBHMIBKQBL-OAHLLOKOSA-N -1 3 299.773 3.412 20 0 CGADHM CC(C)c1nc(CN2CC[C@@](C(=O)[O-])(C(C)C)C2)cs1 ZINC000232771996 346328014 /nfs/dbraw/zinc/32/80/14/346328014.db2.gz KSCUGENKWVGSQI-HNNXBMFYSA-N -1 3 296.436 3.199 20 0 CGADHM O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1ccc(Cl)cc1F ZINC000229224469 346316263 /nfs/dbraw/zinc/31/62/63/346316263.db2.gz XOGIRSHTNYRAIJ-IUPBHXKESA-N -1 3 297.757 3.164 20 0 CGADHM Cc1cc(Cl)ccc1CN1CCC[C@H](CC(=O)[O-])C1 ZINC000235786202 346337219 /nfs/dbraw/zinc/33/72/19/346337219.db2.gz GYZJXLAFPJQYEV-GFCCVEGCSA-N -1 3 281.783 3.335 20 0 CGADHM CSC1CCN(Cc2cc(C(=O)[O-])sc2C)CC1 ZINC000310680932 346471902 /nfs/dbraw/zinc/47/19/02/346471902.db2.gz VWFVWOSBGWLBII-UHFFFAOYSA-N -1 3 285.434 3.082 20 0 CGADHM CSCCCC(=O)Nc1ccc([O-])cc1Cl ZINC000402087639 346593552 /nfs/dbraw/zinc/59/35/52/346593552.db2.gz QKKBBBOYBZUQTJ-UHFFFAOYSA-N -1 3 259.758 3.127 20 0 CGADHM C[C@@H]1CC[C@]2(CCN(Cc3csc(C(=O)[O-])c3)C2)C1 ZINC000584637912 346701752 /nfs/dbraw/zinc/70/17/52/346701752.db2.gz FXHGYNYRRZCRAH-ABAIWWIYSA-N -1 3 279.405 3.458 20 0 CGADHM CCCC[C@@H](C(=O)[O-])N1CCC[C@@H]1c1ccco1 ZINC000584785357 346714169 /nfs/dbraw/zinc/71/41/69/346714169.db2.gz HYNCDVBIKCWCNP-NEPJUHHUSA-N -1 3 251.326 3.060 20 0 CGADHM O=c1cc(Cl)[n-]c2c(Br)cccc12 ZINC000585681255 346726435 /nfs/dbraw/zinc/72/64/35/346726435.db2.gz AHEPSRLZCTVAHW-UHFFFAOYSA-N -1 3 258.502 3.356 20 0 CGADHM CC[C@H](c1ccncc1)N(C)C(=O)c1ccccc1[O-] ZINC000128435535 187370322 /nfs/dbraw/zinc/37/03/22/187370322.db2.gz IJZFGSBLPCAUNQ-CQSZACIVSA-N -1 3 270.332 3.011 20 0 CGADHM CS[C@H]1CCCCN(Cc2c(F)ccc([O-])c2F)C1 ZINC000351813717 219214699 /nfs/dbraw/zinc/21/46/99/219214699.db2.gz ROHBOLCPEZHBQQ-JTQLQIEISA-N -1 3 287.375 3.388 20 0 CGADHM CCS[C@@H]1CCCCN(C(=O)c2c(C)cccc2[O-])C1 ZINC000599447284 347745410 /nfs/dbraw/zinc/74/54/10/347745410.db2.gz ARHRMNLOZOZTSO-CYBMUJFWSA-N -1 3 293.432 3.448 20 0 CGADHM CCc1nc(CSCc2cc([O-])ccc2Cl)no1 ZINC000600618328 347814694 /nfs/dbraw/zinc/81/46/94/347814694.db2.gz AZUXORQAYZHDAS-UHFFFAOYSA-N -1 3 284.768 3.424 20 0 CGADHM O=C1CC[C@@H](CSCc2cc([O-])ccc2Cl)CCN1 ZINC000600631041 347819115 /nfs/dbraw/zinc/81/91/15/347819115.db2.gz JNHGIUZYTHEGHZ-SNVBAGLBSA-N -1 3 299.823 3.195 20 0 CGADHM Cn1nccc1CCSCc1cc([O-])ccc1Cl ZINC000601920620 347923890 /nfs/dbraw/zinc/92/38/90/347923890.db2.gz VOYNJXIEKJZLGI-UHFFFAOYSA-N -1 3 282.796 3.255 20 0 CGADHM C[C@@H](CCO)SCc1cc([O-])cc(C(F)(F)F)c1 ZINC000603321739 348071331 /nfs/dbraw/zinc/07/13/31/348071331.db2.gz TXNQPOKKVPRWFL-QMMMGPOBSA-N -1 3 280.311 3.415 20 0 CGADHM Cc1ccc(NC(=O)CO[C@@H]2CCC[C@@H](C)C2)c([O-])c1 ZINC000602941921 348046093 /nfs/dbraw/zinc/04/60/93/348046093.db2.gz ALODAFLTKWTYJL-DGCLKSJQSA-N -1 3 277.364 3.234 20 0 CGADHM [O-]c1cccc(CN[C@@H]2CCC[C@H]2OC(F)F)c1Cl ZINC000339389897 215140228 /nfs/dbraw/zinc/14/02/28/215140228.db2.gz FPFAMQONATYLRG-MWLCHTKSSA-N -1 3 291.725 3.296 20 0 CGADHM Cc1ccc(C(=O)N[C@H]2C[C@@]2(C)c2ccccc2)c([O-])c1 ZINC000607598227 348252635 /nfs/dbraw/zinc/25/26/35/348252635.db2.gz NJCXABQXVKCSSO-WMZOPIPTSA-N -1 3 281.355 3.161 20 0 CGADHM CC(C)c1ccc(C(=O)N2C[C@H](C)S[C@@H](C)C2)c([O-])c1 ZINC000608474746 348310895 /nfs/dbraw/zinc/31/08/95/348310895.db2.gz SZSOKDAMPYKUPQ-RYUDHWBXSA-N -1 3 293.432 3.482 20 0 CGADHM CC(C)C[C@H]1CCN(C(=O)c2c[n-]c3ccccc3c2=O)C1 ZINC000608592851 348319750 /nfs/dbraw/zinc/31/97/50/348319750.db2.gz GDOUANGTABXVIB-CYBMUJFWSA-N -1 3 298.386 3.036 20 0 CGADHM CC(C)c1ccc(C(=O)N2C3CCC2CC3)c([O-])c1 ZINC000613361898 348593716 /nfs/dbraw/zinc/59/37/16/348593716.db2.gz CATNTBUAXMGFAJ-UHFFFAOYSA-N -1 3 259.349 3.283 20 0 CGADHM CC(=O)c1cccc(-c2nc3ccc(F)cc3c(=O)[n-]2)c1 ZINC000614115889 348650798 /nfs/dbraw/zinc/65/07/98/348650798.db2.gz WPSPNDFBSKCCHY-UHFFFAOYSA-N -1 3 282.274 3.344 20 0 CGADHM CSc1ccc([O-])c(C(=O)N2CC[C@H]3CCC[C@H]32)c1 ZINC000613697280 348628354 /nfs/dbraw/zinc/62/83/54/348628354.db2.gz XSSPMRYRYMNFJK-ZWNOBZJWSA-N -1 3 277.389 3.129 20 0 CGADHM CO[C@H](C(=O)Nc1c([O-])cccc1Cl)C1CCCC1 ZINC000615321264 348731653 /nfs/dbraw/zinc/73/16/53/348731653.db2.gz CNSVAWBBQAWPNB-ZDUSSCGKSA-N -1 3 283.755 3.189 20 0 CGADHM O=C(Nc1c([O-])cccc1Cl)C1CC2(CC2)C1 ZINC000615321353 348732216 /nfs/dbraw/zinc/73/22/16/348732216.db2.gz DODWBOUSVFAPHX-UHFFFAOYSA-N -1 3 251.713 3.174 20 0 CGADHM Cc1ccc([O-])c(C(=O)NCc2ccc([C@H]3C[C@H]3C)o2)c1 ZINC000614754080 348692591 /nfs/dbraw/zinc/69/25/91/348692591.db2.gz MFXNBSUKKLQTRW-YPMHNXCESA-N -1 3 285.343 3.347 20 0 CGADHM O=C(CC1CCCC1)NCc1ccc([O-])c2ncccc12 ZINC000616020668 348781708 /nfs/dbraw/zinc/78/17/08/348781708.db2.gz OJRVZIOJDCAFFX-UHFFFAOYSA-N -1 3 284.359 3.137 20 0 CGADHM C[C@H]1CCCC[C@H]1C(=O)NCc1ccc([O-])c2ncccc12 ZINC000616021026 348781842 /nfs/dbraw/zinc/78/18/42/348781842.db2.gz VRLHCURZZUYRER-GXTWGEPZSA-N -1 3 298.386 3.383 20 0 CGADHM CCC[C@@H](C)CC(=O)NCc1ccc([O-])c2ncccc12 ZINC000616025475 348782567 /nfs/dbraw/zinc/78/25/67/348782567.db2.gz PDFSMAJVFHHWAF-GFCCVEGCSA-N -1 3 286.375 3.383 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2[C@H](C)CCC2(C)C)c1 ZINC000616165290 348793219 /nfs/dbraw/zinc/79/32/19/348793219.db2.gz OLUKGWDDIKNANK-LLVKDONJSA-N -1 3 261.365 3.358 20 0 CGADHM CCc1ccc(C(=O)N2[C@H](C)CCC2(C)C)c([O-])c1 ZINC000616165132 348793290 /nfs/dbraw/zinc/79/32/90/348793290.db2.gz NFBRBYCRTCXPKO-LLVKDONJSA-N -1 3 261.365 3.358 20 0 CGADHM [O-]c1cc2ccccc2cc1-c1nc(C[C@@H]2CCCO2)no1 ZINC000273476209 192167185 /nfs/dbraw/zinc/16/71/85/192167185.db2.gz RIMAAUICCBCSRN-ZDUSSCGKSA-N -1 3 296.326 3.317 20 0 CGADHM CSc1ccc([O-])c(C(=O)N2CC[C@@H](C3CCC3)C2)c1 ZINC000616327039 348810715 /nfs/dbraw/zinc/81/07/15/348810715.db2.gz UMNAMUXQSRCSDW-GFCCVEGCSA-N -1 3 291.416 3.376 20 0 CGADHM CSc1ccc([O-])c(C(=O)N2C[C@H](C)[C@@H](C)[C@@H]2C)c1 ZINC000616343180 348812178 /nfs/dbraw/zinc/81/21/78/348812178.db2.gz BFVSTASCABTMLZ-AXFHLTTASA-N -1 3 279.405 3.231 20 0 CGADHM CSc1ccc([O-])c(C(=O)NC2(C3CCC3)CC2)c1 ZINC000616544958 348832074 /nfs/dbraw/zinc/83/20/74/348832074.db2.gz ORSFSLUDIKMCAQ-UHFFFAOYSA-N -1 3 277.389 3.177 20 0 CGADHM CC[C@@H]1C[C@H](C(=O)Nc2ccc([O-])cc2Cl)CCO1 ZINC000616941300 348885218 /nfs/dbraw/zinc/88/52/18/348885218.db2.gz ZDBDZODPIOECCA-MWLCHTKSSA-N -1 3 283.755 3.189 20 0 CGADHM CC(=O)Nc1ccc(C=Cc2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC000352008379 219285751 /nfs/dbraw/zinc/28/57/51/219285751.db2.gz PENFCESOKNPHPB-RUDMXATFSA-N -1 3 295.342 3.188 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)N1CCC(C2CCC2)CC1 ZINC000617769164 349004582 /nfs/dbraw/zinc/00/45/82/349004582.db2.gz NXXFPOVHOZWVMV-UHFFFAOYSA-N -1 3 291.366 3.113 20 0 CGADHM O=C(c1cc([O-])ccc1Cl)N1CCC[C@H](CCF)C1 ZINC000618698183 349147648 /nfs/dbraw/zinc/14/76/48/349147648.db2.gz TXUGQPBPYMPQFS-SNVBAGLBSA-N -1 3 285.746 3.257 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2ccc(-c3cnn(C)c3)s2)n1 ZINC000352035730 219298479 /nfs/dbraw/zinc/29/84/79/219298479.db2.gz UDEJKGZGWKPCIP-GQCTYLIASA-N -1 3 298.371 3.123 20 0 CGADHM CC(C)[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)C1CC1 ZINC000620042507 349315603 /nfs/dbraw/zinc/31/56/03/349315603.db2.gz SIKMJLKDLPFJQG-KRWDZBQOSA-N -1 3 293.382 3.405 20 0 CGADHM CN(C[C@H]1CCc2ccccc21)C(=O)c1ccccc1[O-] ZINC000620683985 349410710 /nfs/dbraw/zinc/41/07/10/349410710.db2.gz YOJMAEWYKKIGPC-CQSZACIVSA-N -1 3 281.355 3.194 20 0 CGADHM COCC1(C)CCN(Cc2cc([O-])ccc2Cl)CC1 ZINC000625283514 350152617 /nfs/dbraw/zinc/15/26/17/350152617.db2.gz YPCFYXYGWJTIQN-UHFFFAOYSA-N -1 3 283.799 3.294 20 0 CGADHM CC[C@@]1(CO)CCCN(Cc2cc([O-])ccc2Cl)C1 ZINC000625341810 350161740 /nfs/dbraw/zinc/16/17/40/350161740.db2.gz IBFUAZNOKAAEPT-OAHLLOKOSA-N -1 3 283.799 3.030 20 0 CGADHM [O-]c1ccc(Cl)c(Cn2cnc3c2CCCC3)c1 ZINC000625450278 350173057 /nfs/dbraw/zinc/17/30/57/350173057.db2.gz MHQBYLWKYAKJOC-UHFFFAOYSA-N -1 3 262.740 3.169 20 0 CGADHM CCn1cc([C@H](C)NCc2cc([O-])ccc2Cl)cn1 ZINC000625462262 350175003 /nfs/dbraw/zinc/17/50/03/350175003.db2.gz NQPDRAXNCVELON-JTQLQIEISA-N -1 3 279.771 3.113 20 0 CGADHM CCO[C@H]1CCN(Cc2cc([O-])ccc2Cl)C[C@H]1C ZINC000625459581 350175307 /nfs/dbraw/zinc/17/53/07/350175307.db2.gz YKPHCMDFRXKLSY-ABAIWWIYSA-N -1 3 283.799 3.293 20 0 CGADHM CCN(C(=O)c1c(C)cccc1[O-])c1nc(C)cs1 ZINC000625850492 350220990 /nfs/dbraw/zinc/22/09/90/350220990.db2.gz ROZXDRXWQKPDCO-UHFFFAOYSA-N -1 3 276.361 3.132 20 0 CGADHM [O-]c1ccc(Cl)c(CN2CCc3c(O)cccc3C2)c1 ZINC000626028478 350251401 /nfs/dbraw/zinc/25/14/01/350251401.db2.gz LGDAWEXJCOJZFH-UHFFFAOYSA-N -1 3 289.762 3.310 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1C[C@@H](C)C[C@H]1c1cccnc1 ZINC000626445579 350307496 /nfs/dbraw/zinc/30/74/96/350307496.db2.gz FTPULHCKTRXSJM-WFASDCNBSA-N -1 3 296.370 3.319 20 0 CGADHM C[C@@H](CC(=O)Nc1cc(F)ccc1[O-])C(F)(F)F ZINC000626277701 350290877 /nfs/dbraw/zinc/29/08/77/350290877.db2.gz LNROCTSFNRFLCA-LURJTMIESA-N -1 3 265.206 3.058 20 0 CGADHM Cc1cccc([O-])c1C(=O)NC1(C(F)F)CCCC1 ZINC000627328902 350357195 /nfs/dbraw/zinc/35/71/95/350357195.db2.gz SBCZBUZDVIBNCB-UHFFFAOYSA-N -1 3 269.291 3.008 20 0 CGADHM COc1ccccc1C1(NC(=O)c2c(C)cccc2[O-])CC1 ZINC000627913007 350384632 /nfs/dbraw/zinc/38/46/32/350384632.db2.gz ICLFQEMRBFOTPQ-UHFFFAOYSA-N -1 3 297.354 3.128 20 0 CGADHM CCc1ccc(C(=O)N2C[C@@H](C)C(F)(F)[C@H](C)C2)c([O-])c1 ZINC000628398489 350526498 /nfs/dbraw/zinc/52/64/98/350526498.db2.gz SCVZYUMYVXCASP-GHMZBOCLSA-N -1 3 297.345 3.318 20 0 CGADHM O=C([O-])[C@@H]1CCN(Cc2sccc2Cl)[C@@H]2CCC[C@H]21 ZINC000629375226 350683045 /nfs/dbraw/zinc/68/30/45/350683045.db2.gz YLSUEBBKVJJTFM-HOSYDEDBSA-N -1 3 299.823 3.477 20 0 CGADHM C/C=C/C[C@@H]1CCCN(Cc2occc2C(=O)[O-])C1 ZINC000629375338 350683072 /nfs/dbraw/zinc/68/30/72/350683072.db2.gz DFRZSYAIJDWUNV-QAVQXKDTSA-N -1 3 263.337 3.156 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CC(Cc2cccs2)C1 ZINC000629629287 350723470 /nfs/dbraw/zinc/72/34/70/350723470.db2.gz VUZNLTWNGJUDCV-UHFFFAOYSA-N -1 3 287.384 3.077 20 0 CGADHM O=c1[n-]c(-c2coc(C3CCC3)n2)nc2ccccc21 ZINC000630386498 350831225 /nfs/dbraw/zinc/83/12/25/350831225.db2.gz WRSWJCMYWYYKRD-UHFFFAOYSA-N -1 3 267.288 3.258 20 0 CGADHM Cc1scc(CN[C@@H](CC(=O)[O-])c2ccncc2)c1C ZINC000630461978 350843930 /nfs/dbraw/zinc/84/39/30/350843930.db2.gz HWCMTJNMQVAPRR-AWEZNQCLSA-N -1 3 290.388 3.066 20 0 CGADHM CC[C@@H](CCNCc1c(F)ccc(F)c1Cl)C(=O)[O-] ZINC000630461348 350843936 /nfs/dbraw/zinc/84/39/36/350843936.db2.gz CUCJHVBXAQFLLK-QMMMGPOBSA-N -1 3 291.725 3.209 20 0 CGADHM CC(C)(c1nc(-c2ccc([O-])cc2)no1)[C@H]1CCCCO1 ZINC000632097415 351167343 /nfs/dbraw/zinc/16/73/43/351167343.db2.gz IUQJYJLJZUOVQT-CYBMUJFWSA-N -1 3 288.347 3.289 20 0 CGADHM CC[C@](C)(NC(=O)c1csc(=O)[n-]1)c1ccc(F)cc1 ZINC000633795223 351377854 /nfs/dbraw/zinc/37/78/54/351377854.db2.gz RDCHCCNIVDBWCK-AWEZNQCLSA-N -1 3 294.351 3.043 20 0 CGADHM C[C@H]1CCc2[n-]n(Cc3ccc(Cl)cc3)c(=O)c21 ZINC000634607440 351539746 /nfs/dbraw/zinc/53/97/46/351539746.db2.gz XHUJGDOSXKZRFV-TVQRCGJNSA-N -1 3 262.740 3.084 20 0 CGADHM CCc1c(-c2ccccc2)[n-]n([C@@H](C)c2ccncc2)c1=O ZINC000634626583 351550118 /nfs/dbraw/zinc/55/01/18/351550118.db2.gz HJQHUMYPRQTKRF-XJKSGUPXSA-N -1 3 293.370 3.415 20 0 CGADHM CCc1c(=O)n([C@@H]2CCSC2)[n-]c1-c1cccc(C)c1 ZINC000634627593 351550664 /nfs/dbraw/zinc/55/06/64/351550664.db2.gz GKRATKFBKZZVTC-KGLIPLIRSA-N -1 3 288.416 3.073 20 0 CGADHM CCc1[n-]n([C@@H](C)c2ccncc2)c(=O)c1C(C)C ZINC000634626969 351550837 /nfs/dbraw/zinc/55/08/37/351550837.db2.gz QSPOEBZYQXRUOJ-SMDDNHRTSA-N -1 3 259.353 3.023 20 0 CGADHM O=C([O-])CCCCNCc1csc(-c2ccccc2)n1 ZINC000635315020 351649615 /nfs/dbraw/zinc/64/96/15/351649615.db2.gz FRTLLUYJBMHAJU-UHFFFAOYSA-N -1 3 290.388 3.155 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)Nc1ccc2ncsc2c1 ZINC000291659565 198054521 /nfs/dbraw/zinc/05/45/21/198054521.db2.gz ABPNFJUFUZTBSI-SECBINFHSA-N -1 3 279.365 3.396 20 0 CGADHM CCSc1cccc(C(=O)Nc2ncccc2[O-])c1 ZINC000122147749 187017436 /nfs/dbraw/zinc/01/74/36/187017436.db2.gz RBLWFZFAMVZNJO-UHFFFAOYSA-N -1 3 274.345 3.152 20 0 CGADHM Cc1ccc([O-])c(CN2CC=C(c3ccc(O)cc3)CC2)n1 ZINC000122263506 187023655 /nfs/dbraw/zinc/02/36/55/187023655.db2.gz IYIWAYKVVWCQHO-UHFFFAOYSA-N -1 3 296.370 3.091 20 0 CGADHM COc1cccc(C(=O)N2CC[C@@H](C)C3(CCC3)C2)c1[O-] ZINC000271458150 191150749 /nfs/dbraw/zinc/15/07/49/191150749.db2.gz ZXJORFGHXYNZOS-GFCCVEGCSA-N -1 3 289.375 3.053 20 0 CGADHM C[C@H](CC(=O)[N-]OC1CCCC1)c1ccc(F)cc1F ZINC000271632345 191249824 /nfs/dbraw/zinc/24/98/24/191249824.db2.gz BLYFCKKIKVAHPL-SNVBAGLBSA-N -1 3 283.318 3.449 20 0 CGADHM CCCCO[C@@H](C)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000153520532 188086886 /nfs/dbraw/zinc/08/68/86/188086886.db2.gz MCZFTWLVBZBFIN-VIFPVBQESA-N -1 3 271.744 3.189 20 0 CGADHM Cc1ccc(CC(=O)[N-]OCCCCC(F)(F)F)cc1 ZINC000154297955 188133817 /nfs/dbraw/zinc/13/38/17/188133817.db2.gz VZWOQHLPTNRWRH-UHFFFAOYSA-N -1 3 289.297 3.318 20 0 CGADHM CCCOc1ccccc1NC([O-])=NO[C@@H]1CCCCO1 ZINC000155578964 188214844 /nfs/dbraw/zinc/21/48/44/188214844.db2.gz QBXRHKKAWZNNAM-CQSZACIVSA-N -1 3 294.351 3.055 20 0 CGADHM CCCOc1ccccc1NC(=O)[N-]O[C@@H]1CCCCO1 ZINC000155578964 188214846 /nfs/dbraw/zinc/21/48/46/188214846.db2.gz QBXRHKKAWZNNAM-CQSZACIVSA-N -1 3 294.351 3.055 20 0 CGADHM C[C@H](COc1cccc(F)c1)[N-]c1nnc(C(F)F)o1 ZINC000292482442 198304719 /nfs/dbraw/zinc/30/47/19/198304719.db2.gz LWVHEEDYOBOXKT-SSDOTTSWSA-N -1 3 287.241 3.026 20 0 CGADHM CCC[C@@H](C)[C@@H]1CCCN1C(=O)c1cccc(OC)c1[O-] ZINC000156052306 188240499 /nfs/dbraw/zinc/24/04/99/188240499.db2.gz XAOLISZIDSGPDC-OCCSQVGLSA-N -1 3 291.391 3.442 20 0 CGADHM CCCCOc1cccc(NC(=O)[N-]OCC2CC2)c1 ZINC000292501359 198310829 /nfs/dbraw/zinc/31/08/29/198310829.db2.gz CFEMFUUMUBQYSD-UHFFFAOYSA-N -1 3 278.352 3.329 20 0 CGADHM Cc1ccc([O-])c(C(=O)N(C)Cc2cccc(N(C)C)c2)c1 ZINC000156251278 188251659 /nfs/dbraw/zinc/25/16/59/188251659.db2.gz IEVRQQMFJLVJRH-UHFFFAOYSA-N -1 3 298.386 3.039 20 0 CGADHM Cc1ncoc1C(=O)Nc1cc(C(C)(C)C)ccc1[O-] ZINC000336438151 213302625 /nfs/dbraw/zinc/30/26/25/213302625.db2.gz BVSPDTCUHYGLNX-UHFFFAOYSA-N -1 3 274.320 3.238 20 0 CGADHM Cc1ccc([O-])c(CN(C)[C@H](C)c2cccs2)n1 ZINC000157809240 188340238 /nfs/dbraw/zinc/34/02/38/188340238.db2.gz DCMGAOURIIAEMK-LLVKDONJSA-N -1 3 262.378 3.350 20 0 CGADHM Cc1ccc(Br)cc1NC(=O)[N-]OCC1CC1 ZINC000292729033 198391639 /nfs/dbraw/zinc/39/16/39/198391639.db2.gz SPHHXPYRCDGIOL-UHFFFAOYSA-N -1 3 299.168 3.221 20 0 CGADHM CC(C)CO[N-]C(=O)Nc1ccc2oc(C3CC3)nc2c1 ZINC000158833122 188396586 /nfs/dbraw/zinc/39/65/86/188396586.db2.gz AWBXBJFHOWWGDI-UHFFFAOYSA-N -1 3 289.335 3.414 20 0 CGADHM O=C(CCc1ccc2ccccc2c1[O-])N1CCCCO1 ZINC000295190586 199397052 /nfs/dbraw/zinc/39/70/52/199397052.db2.gz KXCHGDVAEXJCCM-UHFFFAOYSA-N -1 3 285.343 3.032 20 0 CGADHM CN(C)c1c(Cl)cccc1NC([O-])=NOC1CCCC1 ZINC000271795701 191331436 /nfs/dbraw/zinc/33/14/36/191331436.db2.gz LEAUZXDOGGJTKW-UHFFFAOYSA-N -1 3 297.786 3.402 20 0 CGADHM CN(C)c1c(Cl)cccc1NC(=O)[N-]OC1CCCC1 ZINC000271795701 191331439 /nfs/dbraw/zinc/33/14/39/191331439.db2.gz LEAUZXDOGGJTKW-UHFFFAOYSA-N -1 3 297.786 3.402 20 0 CGADHM C[C@@H]1CC(C)(C)CN1C(=O)Cc1ccc([O-])cc1Cl ZINC000412786251 235214961 /nfs/dbraw/zinc/21/49/61/235214961.db2.gz VIXBFFJGAKAGTM-SNVBAGLBSA-N -1 3 281.783 3.235 20 0 CGADHM O=c1cc(COc2ccc(Cl)c(F)c2)nc(C2CC2)[n-]1 ZINC000413003139 235239688 /nfs/dbraw/zinc/23/96/88/235239688.db2.gz UFTGLGZGOYXWKX-UHFFFAOYSA-N -1 3 294.713 3.431 20 0 CGADHM O=C(CCc1ccc(Cl)s1)Nc1ccncc1[O-] ZINC000109889691 138362264 /nfs/dbraw/zinc/36/22/64/138362264.db2.gz KXIAHUUWOLNWPX-UHFFFAOYSA-N -1 3 282.752 3.073 20 0 CGADHM Cc1ccc([O-])c(CN(Cc2ccccc2)C2CC2)n1 ZINC000125420230 138382226 /nfs/dbraw/zinc/38/22/26/138382226.db2.gz DIMPXEJCKOXYEO-UHFFFAOYSA-N -1 3 268.360 3.260 20 0 CGADHM CCC1(NC(=O)c2cc([O-])ccc2Cl)CCCC1 ZINC000294439500 199039802 /nfs/dbraw/zinc/03/98/02/199039802.db2.gz QTPQFLUYCJILKX-UHFFFAOYSA-N -1 3 267.756 3.498 20 0 CGADHM Cc1cc(F)c(CN[C@@H](CC2CCC2)C(=O)[O-])c(F)c1 ZINC000424611117 236171780 /nfs/dbraw/zinc/17/17/80/236171780.db2.gz DUEHEFJINDVWHF-AWEZNQCLSA-N -1 3 283.318 3.006 20 0 CGADHM [O-]c1ccc(F)c(CN2CCC3(CCOCC3)CC2)c1F ZINC000294566440 199089159 /nfs/dbraw/zinc/08/91/59/199089159.db2.gz GDOOHRDAULIWOF-UHFFFAOYSA-N -1 3 297.345 3.063 20 0 CGADHM C[C@@H]1CCSCCN1Cc1cccc([O-])c1Cl ZINC000294571855 199090489 /nfs/dbraw/zinc/09/04/89/199090489.db2.gz GMCCBYPOHZMFHH-SNVBAGLBSA-N -1 3 271.813 3.373 20 0 CGADHM Cc1cccc(CN[C@H](C(=O)[O-])c2cccc(F)c2)c1 ZINC000426827950 236316916 /nfs/dbraw/zinc/31/69/16/236316916.db2.gz JOXNSKYWINDSKP-HNNXBMFYSA-N -1 3 273.307 3.050 20 0 CGADHM C[C@@H]1CN(C(=O)Cc2ccc([O-])c(F)c2)[C@H]1c1ccccc1 ZINC000336209250 213031991 /nfs/dbraw/zinc/03/19/91/213031991.db2.gz BRNQGMWKZUQLCZ-KZULUSFZSA-N -1 3 299.345 3.293 20 0 CGADHM C[C@H](O)C[C@@H]1CCCCN1Cc1cccc([O-])c1Cl ZINC000294751684 199165643 /nfs/dbraw/zinc/16/56/43/199165643.db2.gz RLFZQMKMOCRPPZ-AAEUAGOBSA-N -1 3 283.799 3.171 20 0 CGADHM C[C@@H](O)C[C@@H]1CCCCCN1Cc1c(F)ccc([O-])c1F ZINC000294816483 199196261 /nfs/dbraw/zinc/19/62/61/199196261.db2.gz XEPGRCTXMAWRIU-NEPJUHHUSA-N -1 3 299.361 3.186 20 0 CGADHM COCC1(CNC(=O)c2ccc(C(C)C)cc2[O-])CCC1 ZINC000436499759 237113041 /nfs/dbraw/zinc/11/30/41/237113041.db2.gz XKHJIJVHXGEVGZ-UHFFFAOYSA-N -1 3 291.391 3.062 20 0 CGADHM O=C(Nc1nc2ccsc2s1)c1c([O-])cccc1O ZINC000436650167 237151874 /nfs/dbraw/zinc/15/18/74/237151874.db2.gz VCCRMDKDARLKCQ-UHFFFAOYSA-N -1 3 292.341 3.021 20 0 CGADHM C[C@H]1CC[C@H](Cc2nc(-c3ccc([O-])cc3)no2)C1 ZINC000436533799 237124907 /nfs/dbraw/zinc/12/49/07/237124907.db2.gz NNMOOCHUKAYTGO-QWRGUYRKSA-N -1 3 258.321 3.421 20 0 CGADHM Cc1cnn(C)c1/C=C/c1ccc2cccc([O-])c2n1 ZINC000436574074 237134689 /nfs/dbraw/zinc/13/46/89/237134689.db2.gz DYPFXTTVBPMVGF-CMDGGOBGSA-N -1 3 265.316 3.153 20 0 CGADHM Cc1ccccc1OCCCN(C)C(=O)c1ccccc1[O-] ZINC000436820494 237187228 /nfs/dbraw/zinc/18/72/28/237187228.db2.gz REJRHVYUBACZCJ-UHFFFAOYSA-N -1 3 299.370 3.242 20 0 CGADHM COc1cnc2ccccc2c1C(=O)Nc1ccccc1[O-] ZINC000436705487 237160940 /nfs/dbraw/zinc/16/09/40/237160940.db2.gz KKKWILRLDYTRSB-UHFFFAOYSA-N -1 3 294.310 3.201 20 0 CGADHM O=C(NCC1CC1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436950277 237221219 /nfs/dbraw/zinc/22/12/19/237221219.db2.gz BMRCINWKRBWZGG-UHFFFAOYSA-N -1 3 283.327 3.324 20 0 CGADHM Cc1ncccc1NC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000436965873 237221980 /nfs/dbraw/zinc/22/19/80/237221980.db2.gz OUVAVZPQHMIEHV-UHFFFAOYSA-N -1 3 282.343 3.227 20 0 CGADHM O=C(NCC1(c2ccncc2)CCCC1)c1ccccc1[O-] ZINC000436971319 237226915 /nfs/dbraw/zinc/22/69/15/237226915.db2.gz JMKLSMMUDZNFPE-UHFFFAOYSA-N -1 3 296.370 3.029 20 0 CGADHM Cc1ccnc(C(=O)Nc2cc(C(C)(C)C)ccc2[O-])n1 ZINC000436877551 237201145 /nfs/dbraw/zinc/20/11/45/237201145.db2.gz AIWODXCSYNLISE-UHFFFAOYSA-N -1 3 285.347 3.040 20 0 CGADHM COCc1noc(-c2cc(Cc3ccccc3)ccc2[O-])n1 ZINC000436894025 237204592 /nfs/dbraw/zinc/20/45/92/237204592.db2.gz RHBCMFYQTRULRQ-UHFFFAOYSA-N -1 3 296.326 3.179 20 0 CGADHM Cc1ccccc1C[C@@H](C)NC(=O)c1ccc([O-])c(C)c1 ZINC000436932373 237212274 /nfs/dbraw/zinc/21/22/74/237212274.db2.gz NMJJZJRNOFUZDE-CQSZACIVSA-N -1 3 283.371 3.370 20 0 CGADHM O=C([N-]c1cccc2ocnc21)c1c(F)ccc(F)c1F ZINC000341585030 216022231 /nfs/dbraw/zinc/02/22/31/216022231.db2.gz NIRVSTXNGJUWKF-UHFFFAOYSA-N -1 3 292.216 3.497 20 0 CGADHM O=C(c1cccc([O-])c1)N1CCC[C@H]1COc1ccccc1 ZINC000297020584 200063380 /nfs/dbraw/zinc/06/33/80/200063380.db2.gz UMEDWFANBFUQMZ-HNNXBMFYSA-N -1 3 297.354 3.076 20 0 CGADHM CC(C)ON=C([O-])Nc1ccccc1C(=O)OC(C)(C)C ZINC000297029762 200066401 /nfs/dbraw/zinc/06/64/01/200066401.db2.gz VUAPXQATGVIUMO-UHFFFAOYSA-N -1 3 294.351 3.103 20 0 CGADHM CC(C)O[N-]C(=O)Nc1ccccc1C(=O)OC(C)(C)C ZINC000297029762 200066403 /nfs/dbraw/zinc/06/64/03/200066403.db2.gz VUAPXQATGVIUMO-UHFFFAOYSA-N -1 3 294.351 3.103 20 0 CGADHM CCOc1cc(CN2CC[C@H]2CC)cc(Cl)c1[O-] ZINC000297326578 200149391 /nfs/dbraw/zinc/14/93/91/200149391.db2.gz DCEPCIKSTDESKW-LLVKDONJSA-N -1 3 269.772 3.429 20 0 CGADHM COc1cccc(C(=O)N2C[C@@H](C)[C@H]3CCCC[C@H]32)c1[O-] ZINC000180549773 189261543 /nfs/dbraw/zinc/26/15/43/189261543.db2.gz HGZGAUOKSDRVDV-YRGRVCCFSA-N -1 3 289.375 3.052 20 0 CGADHM C[C@H]1SCCN(C(=O)c2cc([O-])ccc2Cl)[C@@H]1C ZINC000235684127 291256398 /nfs/dbraw/zinc/25/63/98/291256398.db2.gz SAJVYJFBGVQJPE-RKDXNWHRSA-N -1 3 285.796 3.012 20 0 CGADHM Clc1ccc(C[N-]c2nnc([C@@H]3CCCO3)o2)s1 ZINC000181804479 189307036 /nfs/dbraw/zinc/30/70/36/189307036.db2.gz FUXDVNFJGDGEEB-QMMMGPOBSA-N -1 3 285.756 3.248 20 0 CGADHM COc1ccc([C@H](C)CCNC(=O)c2cccc([O-])c2)cc1 ZINC000182503305 189326316 /nfs/dbraw/zinc/32/63/16/189326316.db2.gz XQVVCQSEXSNMAQ-CYBMUJFWSA-N -1 3 299.370 3.324 20 0 CGADHM CCO[N-]C(=O)Nc1ccc(C)cc1OCC(F)(F)F ZINC000182954731 189340833 /nfs/dbraw/zinc/34/08/33/189340833.db2.gz VQHZXFCGBXGCFL-UHFFFAOYSA-N -1 3 292.257 3.009 20 0 CGADHM CC[C@H]([N-]c1nc(C(C)C)no1)c1c(C)noc1C ZINC000301841419 201227068 /nfs/dbraw/zinc/22/70/68/201227068.db2.gz YUXYXYWAGLTCDY-JTQLQIEISA-N -1 3 264.329 3.361 20 0 CGADHM Cc1nc2c(c(NCc3ccc([O-])c(F)c3)n1)CCCC2 ZINC000302060121 201323927 /nfs/dbraw/zinc/32/39/27/201323927.db2.gz SNWKVYBCAXXAJC-UHFFFAOYSA-N -1 3 287.338 3.121 20 0 CGADHM C[C@H](F)CC[N-]S(=O)(=O)c1ccc2ccccc2c1F ZINC000451578658 240331038 /nfs/dbraw/zinc/33/10/38/240331038.db2.gz DBLUXTMZDHYFFY-JTQLQIEISA-N -1 3 299.342 3.005 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CCc3cccc(F)c3C2)c1 ZINC000120910804 370812130 /nfs/dbraw/zinc/81/21/30/370812130.db2.gz XQNJTEAIJRNRGM-UHFFFAOYSA-N -1 3 285.318 3.038 20 0 CGADHM CCc1cc(C(=O)NC[C@H]2CCCC2(F)F)ccc1[O-] ZINC000456144373 241366731 /nfs/dbraw/zinc/36/67/31/241366731.db2.gz MGWXUWXZENAZDC-GFCCVEGCSA-N -1 3 283.318 3.120 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2C[C@H](C3CC3)[C@@H]2C2CC2)c1 ZINC000456275493 241388780 /nfs/dbraw/zinc/38/87/80/241388780.db2.gz HDUUIKHYMOVDGK-WBVHZDCISA-N -1 3 285.387 3.215 20 0 CGADHM COc1ccc([O-])c(C(=O)Nc2cccc3cccnc32)c1 ZINC000121239739 370843820 /nfs/dbraw/zinc/84/38/20/370843820.db2.gz KIQYUHGNWUSHNT-UHFFFAOYSA-N -1 3 294.310 3.201 20 0 CGADHM CC(=O)c1cccc(NC(=O)C2CC3(CCC3)C2)c1[O-] ZINC000335541328 212240362 /nfs/dbraw/zinc/24/03/62/212240362.db2.gz DWGKUDPTRZDPQQ-UHFFFAOYSA-N -1 3 273.332 3.114 20 0 CGADHM O=C(Nc1ccccc1[O-])c1cc(Cl)cc2c1OCC2 ZINC000462931231 242377074 /nfs/dbraw/zinc/37/70/74/242377074.db2.gz FIGJVHZJXVGSLV-UHFFFAOYSA-N -1 3 289.718 3.233 20 0 CGADHM O=C(CCc1cncs1)Nc1cc(Cl)ccc1[O-] ZINC000343294795 216720856 /nfs/dbraw/zinc/72/08/56/216720856.db2.gz JSSNQNNPHKXTOK-UHFFFAOYSA-N -1 3 282.752 3.073 20 0 CGADHM C[C@@H](CN=c1[n-]cc(C(F)(F)F)s1)C(F)(F)F ZINC000477728655 243054226 /nfs/dbraw/zinc/05/42/26/243054226.db2.gz CNNVKAQYQKWHMW-BYPYZUCNSA-N -1 3 278.221 3.194 20 0 CGADHM CC(C)CCOCCN=c1[n-]cc(C(F)(F)F)s1 ZINC000477740173 243054507 /nfs/dbraw/zinc/05/45/07/243054507.db2.gz IVTFXMOVOBCCLK-UHFFFAOYSA-N -1 3 282.331 3.058 20 0 CGADHM CC(C)(C)C[C@@H](O)CC(=O)Nc1cc(Cl)ccc1[O-] ZINC000486977985 243389959 /nfs/dbraw/zinc/38/99/59/243389959.db2.gz FRKPTLFSRVQDQO-JTQLQIEISA-N -1 3 285.771 3.171 20 0 CGADHM Cc1ccc(C(=O)N[C@@H](C)c2ccccc2)c([O-])c1 ZINC000019836881 368769712 /nfs/dbraw/zinc/76/97/12/368769712.db2.gz OHERBSKGODGWOJ-LBPRGKRZSA-N -1 3 255.317 3.192 20 0 CGADHM COc1cccc(C(=O)Nc2ccc(C)c(C)c2)c1[O-] ZINC000019839417 368771679 /nfs/dbraw/zinc/77/16/79/368771679.db2.gz YBFPFQACWXSDIB-UHFFFAOYSA-N -1 3 271.316 3.270 20 0 CGADHM C[C@@H](NC(=O)c1ccccc1[O-])c1ccc(F)c(F)c1 ZINC000023548076 368821452 /nfs/dbraw/zinc/82/14/52/368821452.db2.gz BNSXVLXYCGFSEO-SECBINFHSA-N -1 3 277.270 3.161 20 0 CGADHM O=C(Nc1ccccc1[O-])c1csc(Br)c1 ZINC000030603203 368904621 /nfs/dbraw/zinc/90/46/21/368904621.db2.gz DDMJYHKSLSZRPF-UHFFFAOYSA-N -1 3 298.161 3.469 20 0 CGADHM Cc1ccsc1CNC(=O)c1ccc(C)cc1[O-] ZINC000031287825 368912727 /nfs/dbraw/zinc/91/27/27/368912727.db2.gz LBEFRUUVKZOIIR-UHFFFAOYSA-N -1 3 261.346 3.001 20 0 CGADHM CC[C@@H]1CCCCN1Cc1cc(C)c(C(=O)[O-])o1 ZINC000036812832 369030653 /nfs/dbraw/zinc/03/06/53/369030653.db2.gz HVHULWYUEPANOB-LLVKDONJSA-N -1 3 251.326 3.051 20 0 CGADHM Cc1ncsc1/C=C\C(=O)Nc1ccc(Cl)cc1[O-] ZINC000492664734 244003725 /nfs/dbraw/zinc/00/37/25/244003725.db2.gz XDRNYUYQQYNROU-PLNGDYQASA-N -1 3 294.763 3.462 20 0 CGADHM Cc1cccc(C(=O)NCCc2ccc(Cl)cc2)c1[O-] ZINC000042252257 369207489 /nfs/dbraw/zinc/20/74/89/369207489.db2.gz SWZTUJGGRMLFTA-UHFFFAOYSA-N -1 3 289.762 3.327 20 0 CGADHM COc1ccc(NC(=O)/C=C/C2CCCC2)c([O-])c1 ZINC000493540989 244184076 /nfs/dbraw/zinc/18/40/76/244184076.db2.gz BEHDFVVHTSRYDO-RMKNXTFCSA-N -1 3 261.321 3.086 20 0 CGADHM O=C(/C=C/c1nc2ccccc2s1)[N-]OC/C=C/Cl ZINC000493818365 244237488 /nfs/dbraw/zinc/23/74/88/244237488.db2.gz SQCRPBVJPUEZFM-KQYLTSGPSA-N -1 3 294.763 3.110 20 0 CGADHM O=C(/C=C/c1nc2ccccc2s1)[N-]OC/C=C\Cl ZINC000493818367 244237735 /nfs/dbraw/zinc/23/77/35/244237735.db2.gz SQCRPBVJPUEZFM-SENFBNHQSA-N -1 3 294.763 3.110 20 0 CGADHM Cc1ccc(CN[C@@H](C(=O)[O-])c2ccccc2)c(C)c1 ZINC000050507886 369439975 /nfs/dbraw/zinc/43/99/75/369439975.db2.gz YHXBZAKUIZIFJE-MRXNPFEDSA-N -1 3 269.344 3.219 20 0 CGADHM O=C(c1cccc([O-])c1)N1CC[C@H](c2ccccc2)C1 ZINC000050600724 369441469 /nfs/dbraw/zinc/44/14/69/369441469.db2.gz JEAKTXBUDBXEOT-HNNXBMFYSA-N -1 3 267.328 3.022 20 0 CGADHM CCCCN(Cc1cc(C(=O)[O-])oc1C)C1CC1 ZINC000051361579 369448708 /nfs/dbraw/zinc/44/87/08/369448708.db2.gz WVGUBKDPDDDYGO-UHFFFAOYSA-N -1 3 251.326 3.051 20 0 CGADHM CO[C@H]1CN(C(=O)c2ccc(C(C)C)cc2[O-])CC[C@@H]1C ZINC000276117728 193218377 /nfs/dbraw/zinc/21/83/77/193218377.db2.gz YBRYMKNUJTUGAX-LRDDRELGSA-N -1 3 291.391 3.013 20 0 CGADHM Cc1ccc([O-])c(CN2CC[C@H](C(F)(F)F)C2(C)C)n1 ZINC000276133934 193221972 /nfs/dbraw/zinc/22/19/72/193221972.db2.gz CYXVJORPBDVIMS-LBPRGKRZSA-N -1 3 288.313 3.258 20 0 CGADHM O=C([O-])C[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000054300067 369500638 /nfs/dbraw/zinc/50/06/38/369500638.db2.gz GARKKJQPQQTSSB-LBPRGKRZSA-N -1 3 267.756 3.027 20 0 CGADHM COc1ccc([O-])c(C(=O)N(C)[C@H]2CCC[C@@H](C)C2)c1 ZINC000055464158 369517862 /nfs/dbraw/zinc/51/78/62/369517862.db2.gz NZQYLRFEGXQPSU-NEPJUHHUSA-N -1 3 277.364 3.052 20 0 CGADHM C[C@@H]1CCC[C@@H](CNC(=O)c2c[n-]c3ccccc3c2=O)C1 ZINC000055487052 369519148 /nfs/dbraw/zinc/51/91/48/369519148.db2.gz FTDJZKLZDNABRU-CHWSQXEVSA-N -1 3 298.386 3.084 20 0 CGADHM C[C@H]1CN(C(=O)c2cc([O-])ccc2C(F)(F)F)C[C@H]1C ZINC000276360315 193299449 /nfs/dbraw/zinc/29/94/49/193299449.db2.gz ADMBRPZXXLMRQW-DTORHVGOSA-N -1 3 287.281 3.139 20 0 CGADHM CCc1ccc(C[N-]c2nnc(C(F)F)o2)s1 ZINC000276407870 193319514 /nfs/dbraw/zinc/31/95/14/193319514.db2.gz VQTPAFNTZQUURE-UHFFFAOYSA-N -1 3 259.281 3.243 20 0 CGADHM CC(C)COc1ccccc1CN1CCC(C(=O)[O-])CC1 ZINC000066114693 369688085 /nfs/dbraw/zinc/68/80/85/369688085.db2.gz RXSAFLHJFPEATP-UHFFFAOYSA-N -1 3 291.391 3.018 20 0 CGADHM CC(C)[C@H]([N-]C(=O)C(F)(F)c1ccccc1)c1ncc[nH]1 ZINC000276540046 193373559 /nfs/dbraw/zinc/37/35/59/193373559.db2.gz FAYDKPFIXJVRBS-LBPRGKRZSA-N -1 3 293.317 3.015 20 0 CGADHM C[C@H]1CC[C@H](N(C)C(=O)c2cc([O-])ccc2Cl)C1 ZINC000507310478 244826064 /nfs/dbraw/zinc/82/60/64/244826064.db2.gz UWGWMWDGYZTCBC-UWVGGRQHSA-N -1 3 267.756 3.306 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CCc3cc(F)ccc3C2)c1 ZINC000092096250 370093513 /nfs/dbraw/zinc/09/35/13/370093513.db2.gz KXZQPBBLXNSLFU-UHFFFAOYSA-N -1 3 285.318 3.038 20 0 CGADHM CSc1cc(C(=O)Nc2ccc(C)cc2[O-])ccn1 ZINC000097105694 370226244 /nfs/dbraw/zinc/22/62/44/370226244.db2.gz JSGDZJFWFIGQPH-UHFFFAOYSA-N -1 3 274.345 3.070 20 0 CGADHM Cc1cc(NC(=O)c2c[n-]c3ccccc3c2=O)ccc1F ZINC000103099978 370318148 /nfs/dbraw/zinc/31/81/48/370318148.db2.gz NCNULYLQBZXWKF-UHFFFAOYSA-N -1 3 296.301 3.228 20 0 CGADHM Cc1cc(NC(=O)c2cnc3ccccc3c2[O-])ccc1F ZINC000103099978 370318153 /nfs/dbraw/zinc/31/81/53/370318153.db2.gz NCNULYLQBZXWKF-UHFFFAOYSA-N -1 3 296.301 3.228 20 0 CGADHM Cc1ccc(-c2nc(-c3cccs3)no2)c([O-])c1 ZINC000104412747 370345167 /nfs/dbraw/zinc/34/51/67/370345167.db2.gz BIXCETNSDZUARV-UHFFFAOYSA-N -1 3 258.302 3.479 20 0 CGADHM Cc1ccc(NC(=O)c2cccc(C)c2[O-])c(CN(C)C)c1 ZINC000113989187 370488182 /nfs/dbraw/zinc/48/81/82/370488182.db2.gz LBPOAHNNEQJJAC-UHFFFAOYSA-N -1 3 298.386 3.323 20 0 CGADHM Cc1ccc(NC(=O)c2cccc(-n3cccn3)c2)c([O-])c1 ZINC000116974602 370576890 /nfs/dbraw/zinc/57/68/90/370576890.db2.gz BPPJMKWZGSAKSI-UHFFFAOYSA-N -1 3 293.326 3.139 20 0 CGADHM Cc1ccc([O-])c(CN(C)[C@@H](C)c2ccccc2F)n1 ZINC000129714145 370997205 /nfs/dbraw/zinc/99/72/05/370997205.db2.gz DLTBUSWERZMFPE-LBPRGKRZSA-N -1 3 274.339 3.428 20 0 CGADHM Cc1ccc([O-])c(CN(C)[C@@H]2CCc3ccccc32)n1 ZINC000131988968 371144913 /nfs/dbraw/zinc/14/49/13/371144913.db2.gz WPBVSSISVYNQAZ-MRXNPFEDSA-N -1 3 268.360 3.215 20 0 CGADHM CCc1noc(C)c1[N-]C(=O)c1cnc(C(C)C)s1 ZINC000132997290 371219215 /nfs/dbraw/zinc/21/92/15/371219215.db2.gz JVLPOVJTAYPFPY-UHFFFAOYSA-N -1 3 279.365 3.378 20 0 CGADHM O=S(=O)([N-]CCCCc1ccccc1)c1cccs1 ZINC000013938331 541852808 /nfs/dbraw/zinc/85/28/08/541852808.db2.gz DWEUSRVATKATIH-UHFFFAOYSA-N -1 3 295.429 3.049 20 0 CGADHM C[C@@H]1CCC[C@H](CC(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000134079854 371301747 /nfs/dbraw/zinc/30/17/47/371301747.db2.gz CAAVZNFOWAFMCO-NEPJUHHUSA-N -1 3 299.378 3.022 20 0 CGADHM C[C@@H]1CCC[C@H](CC(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000134079854 371301751 /nfs/dbraw/zinc/30/17/51/371301751.db2.gz CAAVZNFOWAFMCO-NEPJUHHUSA-N -1 3 299.378 3.022 20 0 CGADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@@H]1C[C@@H]1C1CC1 ZINC000134218087 371312867 /nfs/dbraw/zinc/31/28/67/371312867.db2.gz LXSSCVZKHJBHJR-NXEZZACHSA-N -1 3 285.265 3.396 20 0 CGADHM O=C(CCSc1ccccc1F)Nc1ncccc1[O-] ZINC000135926800 371454699 /nfs/dbraw/zinc/45/46/99/371454699.db2.gz XFQGHKNXIFBUNE-UHFFFAOYSA-N -1 3 292.335 3.047 20 0 CGADHM C[C@@H]1C[C@H](C)CN(C(=O)Cc2ccc([O-])cc2Cl)C1 ZINC000136063795 371458888 /nfs/dbraw/zinc/45/88/88/371458888.db2.gz NOYVAGLCOPZFIZ-PHIMTYICSA-N -1 3 281.783 3.093 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)[C@]2(C)CC2(F)F)c1[O-] ZINC000421792405 371634254 /nfs/dbraw/zinc/63/42/54/371634254.db2.gz OMEJPZFQLZRMCY-NSHDSACASA-N -1 3 275.682 3.338 20 0 CGADHM CCO[N-]C(=O)Nc1ccc(Cl)cc1OCC(F)F ZINC000287670598 371691606 /nfs/dbraw/zinc/69/16/06/371691606.db2.gz RLZGVIGNONDSIL-UHFFFAOYSA-N -1 3 294.685 3.057 20 0 CGADHM CC[C@](C)(NC(=O)c1ccc(C)cc1[O-])c1nccs1 ZINC000154105643 371818601 /nfs/dbraw/zinc/81/86/01/371818601.db2.gz NSRLZSJUJLZZHH-HNNXBMFYSA-N -1 3 290.388 3.212 20 0 CGADHM COc1cccc(CN[C@@H](CC(=O)[O-])c2cccs2)c1 ZINC000037087857 541861216 /nfs/dbraw/zinc/86/12/16/541861216.db2.gz HHKGPYIIHGGEJI-ZDUSSCGKSA-N -1 3 291.372 3.062 20 0 CGADHM Cc1[nH]c2ccccc2c1C(=O)NCc1ccc([O-])c(F)c1 ZINC000156232904 371967428 /nfs/dbraw/zinc/96/74/28/371967428.db2.gz AHPUDFUFVPTYPT-UHFFFAOYSA-N -1 3 298.317 3.251 20 0 CGADHM CSCCc1ccc(NC(=O)[N-]OCC2CC2)cc1 ZINC000292826343 372220662 /nfs/dbraw/zinc/22/06/62/372220662.db2.gz DGIMBSJRLFKOLS-UHFFFAOYSA-N -1 3 280.393 3.055 20 0 CGADHM CCOc1ccc(OC)cc1NC([O-])=NOC[C@H](C)CC ZINC000293033547 372283603 /nfs/dbraw/zinc/28/36/03/372283603.db2.gz WNQPDCIQSYPGIK-LLVKDONJSA-N -1 3 296.367 3.193 20 0 CGADHM CCOc1ccc(OC)cc1NC(=O)[N-]OC[C@H](C)CC ZINC000293033547 372283611 /nfs/dbraw/zinc/28/36/11/372283611.db2.gz WNQPDCIQSYPGIK-LLVKDONJSA-N -1 3 296.367 3.193 20 0 CGADHM C[C@@H]1C[C@@H](CCNCc2cccc([O-])c2Cl)CCO1 ZINC000293189845 372322182 /nfs/dbraw/zinc/32/21/82/372322182.db2.gz HYWRYBKXJWVWEF-NEPJUHHUSA-N -1 3 283.799 3.340 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2cccc(Cl)c2C)n1 ZINC000429241431 372328352 /nfs/dbraw/zinc/32/83/52/372328352.db2.gz MBOWSWDCMJFWRQ-UHFFFAOYSA-N -1 3 276.723 3.310 20 0 CGADHM O=C(Cc1ccc([O-])cc1Cl)NCC1(C2CC2)CCC1 ZINC000162632674 372407270 /nfs/dbraw/zinc/40/72/70/372407270.db2.gz QPIRHJVWEKSMJR-UHFFFAOYSA-N -1 3 293.794 3.285 20 0 CGADHM C/C(=C/c1ccc(C)cc1)C(=O)[N-]OCCC(F)(F)F ZINC000162936904 372434759 /nfs/dbraw/zinc/43/47/59/372434759.db2.gz PTLNRQJRQVNNAC-LUAWRHEFSA-N -1 3 287.281 3.399 20 0 CGADHM COC(=O)c1cc(C(=O)Nc2cccc(Cl)c2C)c[n-]1 ZINC000431261436 372449579 /nfs/dbraw/zinc/44/95/79/372449579.db2.gz CFQMDRIXISWXKJ-UHFFFAOYSA-N -1 3 292.722 3.015 20 0 CGADHM O=C([N-][C@@H]1CCCc2sc(Cl)cc21)C(F)F ZINC000293692732 372451308 /nfs/dbraw/zinc/45/13/08/372451308.db2.gz MMHDUJQVXZZUAI-ZCFIWIBFSA-N -1 3 265.712 3.160 20 0 CGADHM O=C(Nc1ccccc1[O-])c1cnc2c(F)cccc2c1 ZINC000431388417 372465656 /nfs/dbraw/zinc/46/56/56/372465656.db2.gz DDEIUHPQHKPOGM-UHFFFAOYSA-N -1 3 282.274 3.332 20 0 CGADHM COc1cc(Cl)cc(C(=O)Nc2ccccc2[O-])c1 ZINC000431397564 372466461 /nfs/dbraw/zinc/46/64/61/372466461.db2.gz SZPXJKFUPPKZJR-UHFFFAOYSA-N -1 3 277.707 3.307 20 0 CGADHM CSC[C@H]1CCCN(Cc2c(F)ccc([O-])c2F)C1 ZINC000293868068 372506022 /nfs/dbraw/zinc/50/60/22/372506022.db2.gz IRRITFLCEJMAFO-JTQLQIEISA-N -1 3 287.375 3.245 20 0 CGADHM [O-]c1ccc(F)c(CN2CCCc3occc3C2)c1F ZINC000293882287 372511207 /nfs/dbraw/zinc/51/12/07/372511207.db2.gz JSQGAAHXOSDPCU-UHFFFAOYSA-N -1 3 279.286 3.212 20 0 CGADHM Cc1ccc([O-])c(C(=O)N(C)Cc2cc(F)cc(F)c2)c1 ZINC000433987656 372645525 /nfs/dbraw/zinc/64/55/25/372645525.db2.gz ICTDBCRLGQJYGC-UHFFFAOYSA-N -1 3 291.297 3.251 20 0 CGADHM O=C(c1ccc(O)cc1[O-])N(CC1CC1)C1CCCCC1 ZINC000170804927 372666599 /nfs/dbraw/zinc/66/65/99/372666599.db2.gz JEYCYTVSIRFIQT-UHFFFAOYSA-N -1 3 289.375 3.283 20 0 CGADHM CC(C)CO[N-]C(=O)CCc1ccc2ccccc2c1O ZINC000295277568 372724610 /nfs/dbraw/zinc/72/46/10/372724610.db2.gz IQMBJPFQWDVGAU-UHFFFAOYSA-N -1 3 287.359 3.182 20 0 CGADHM CCCc1cc(=O)[n-]c(C(=Cc2cccc(O)c2)CC)n1 ZINC000435335694 372751332 /nfs/dbraw/zinc/75/13/32/372751332.db2.gz KFRRUWYZRYVUTH-UKTHLTGXSA-N -1 3 284.359 3.379 20 0 CGADHM CC(C)ON=C([O-])Nc1cccc(OCC(F)(F)F)c1 ZINC000296226255 373059985 /nfs/dbraw/zinc/05/99/85/373059985.db2.gz FBHLKANTEKRLDD-UHFFFAOYSA-N -1 3 292.257 3.089 20 0 CGADHM CC(C)O[N-]C(=O)Nc1cccc(OCC(F)(F)F)c1 ZINC000296226255 373059990 /nfs/dbraw/zinc/05/99/90/373059990.db2.gz FBHLKANTEKRLDD-UHFFFAOYSA-N -1 3 292.257 3.089 20 0 CGADHM C[C@H](CC[N-]S(=O)(=O)c1ccco1)CC(C)(C)C ZINC000442766206 373074713 /nfs/dbraw/zinc/07/47/13/373074713.db2.gz KNKJCZZBANYWOR-LLVKDONJSA-N -1 3 273.398 3.020 20 0 CGADHM O=C(Nc1ccc2ccoc2c1)c1cccc([O-])c1 ZINC000442818319 373097405 /nfs/dbraw/zinc/09/74/05/373097405.db2.gz GIBWWXGJOMVDRB-UHFFFAOYSA-N -1 3 253.257 3.391 20 0 CGADHM CC(C)ON=C([O-])Nc1ncc(Cc2ccccc2)s1 ZINC000296357596 373101788 /nfs/dbraw/zinc/10/17/88/373101788.db2.gz NFYTYXMTTXJJIS-UHFFFAOYSA-N -1 3 291.376 3.195 20 0 CGADHM CC(C)O[N-]C(=O)Nc1ncc(Cc2ccccc2)s1 ZINC000296357596 373101795 /nfs/dbraw/zinc/10/17/95/373101795.db2.gz NFYTYXMTTXJJIS-UHFFFAOYSA-N -1 3 291.376 3.195 20 0 CGADHM COc1cc(C(=O)NCc2ccc(C(C)C)cc2)ccc1[O-] ZINC000442877158 373114335 /nfs/dbraw/zinc/11/43/35/373114335.db2.gz ZAMRGKGUJLMRPL-UHFFFAOYSA-N -1 3 299.370 3.454 20 0 CGADHM COc1cc(C(=O)N[C@H]2CCC[C@@H](C(C)C)C2)ccc1[O-] ZINC000442958008 373132080 /nfs/dbraw/zinc/13/20/80/373132080.db2.gz PSKCARVFFPFTGN-OCCSQVGLSA-N -1 3 291.391 3.345 20 0 CGADHM CC(C)ON=C([O-])Nc1cc(C(F)(F)F)ccc1F ZINC000296436896 373132242 /nfs/dbraw/zinc/13/22/42/373132242.db2.gz JGYAPCSAQXMMKA-UHFFFAOYSA-N -1 3 280.221 3.306 20 0 CGADHM CC(C)O[N-]C(=O)Nc1cc(C(F)(F)F)ccc1F ZINC000296436896 373132248 /nfs/dbraw/zinc/13/22/48/373132248.db2.gz JGYAPCSAQXMMKA-UHFFFAOYSA-N -1 3 280.221 3.306 20 0 CGADHM CCC[C@H](OC)c1noc(-c2ccc(CC)cc2[O-])n1 ZINC000296545407 373170952 /nfs/dbraw/zinc/17/09/52/373170952.db2.gz SNYHQKPVWZXMFW-ZDUSSCGKSA-N -1 3 276.336 3.492 20 0 CGADHM Cc1c([N-]C(=O)c2cocn2)onc1C1CCCCC1 ZINC000297645809 373276723 /nfs/dbraw/zinc/27/67/23/373276723.db2.gz DSFSTUHKDXTDHS-UHFFFAOYSA-N -1 3 275.308 3.271 20 0 CGADHM CCOC(=O)c1ccc(NC(=O)CCC2CCC2)c([O-])c1 ZINC000175386368 373461312 /nfs/dbraw/zinc/46/13/12/373461312.db2.gz TVBAKKHQRNRETC-UHFFFAOYSA-N -1 3 291.347 3.088 20 0 CGADHM C[C@@H]1CC[C@@H](CCC(=O)Nc2cc(Cl)ccc2[O-])O1 ZINC000175613556 373492877 /nfs/dbraw/zinc/49/28/77/373492877.db2.gz ZSUKJXATQKPVFS-KOLCDFICSA-N -1 3 283.755 3.332 20 0 CGADHM CCC[C@@H](CC)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000299335195 373511770 /nfs/dbraw/zinc/51/17/70/373511770.db2.gz LDCCLNRWEVBDBB-LLVKDONJSA-N -1 3 272.348 3.249 20 0 CGADHM CC(C)CC(C)(C)C(=O)NCc1ccc([O-])c(F)c1 ZINC000175549134 373483564 /nfs/dbraw/zinc/48/35/64/373483564.db2.gz HDYDIXMWPYVPOI-UHFFFAOYSA-N -1 3 267.344 3.220 20 0 CGADHM C[C@@H]1C[C@H](C)CN(C(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC000299435451 373542675 /nfs/dbraw/zinc/54/26/75/373542675.db2.gz GXLCXTXMUQXNTL-TXEJJXNPSA-N -1 3 284.359 3.059 20 0 CGADHM CO[C@H](C)Cc1nc(=O)c2c3ccccc3sc2[n-]1 ZINC000448104940 373547032 /nfs/dbraw/zinc/54/70/32/373547032.db2.gz MATYGUSTUAVUMU-MRVPVSSYSA-N -1 3 274.345 3.128 20 0 CGADHM Cc1nc(CCCC(=O)Nc2ccc(C)cc2[O-])cs1 ZINC000176121355 373557042 /nfs/dbraw/zinc/55/70/42/373557042.db2.gz NDKKENUJAXQUDV-UHFFFAOYSA-N -1 3 290.388 3.427 20 0 CGADHM C[C@H]1CCCN(Cc2ccc(F)cc2Cl)[C@H]1C(=O)[O-] ZINC000300275194 373623315 /nfs/dbraw/zinc/62/33/15/373623315.db2.gz VYJNWLUERXCRHK-TVQRCGJNSA-N -1 3 285.746 3.164 20 0 CGADHM [O-]c1cccc(CN2CCSC[C@@H]2C2CC2)c1Cl ZINC000449525875 373823813 /nfs/dbraw/zinc/82/38/13/373823813.db2.gz CHLNBDUNZBGIFQ-GFCCVEGCSA-N -1 3 283.824 3.373 20 0 CGADHM COc1cccc(CCC(=O)Nc2c(C)cccc2[O-])c1 ZINC000179551046 373885863 /nfs/dbraw/zinc/88/58/63/373885863.db2.gz ZQMXTRCVIWIKAQ-UHFFFAOYSA-N -1 3 285.343 3.281 20 0 CGADHM Cc1cccc([O-])c1NC(=O)Cc1ccc(F)cc1 ZINC000179551457 373886269 /nfs/dbraw/zinc/88/62/69/373886269.db2.gz OTFJFMUMAUGSHR-UHFFFAOYSA-N -1 3 259.280 3.021 20 0 CGADHM Cc1cccc2c1OCC[C@@H]2[N-]c1nc(C(C)C)no1 ZINC000302745536 373950353 /nfs/dbraw/zinc/95/03/53/373950353.db2.gz FKUKIVJLCQZBGB-LBPRGKRZSA-N -1 3 273.336 3.437 20 0 CGADHM O=C(Nc1ccc([O-])cc1F)c1coc(-c2ccccc2)n1 ZINC000180859928 374053389 /nfs/dbraw/zinc/05/33/89/374053389.db2.gz CWRLFOAHVPTJOT-UHFFFAOYSA-N -1 3 298.273 3.439 20 0 CGADHM Cc1noc([N-]Cc2ccc(-c3ccccc3)o2)n1 ZINC000181518758 374136009 /nfs/dbraw/zinc/13/60/09/374136009.db2.gz VXCMULABGQASPP-UHFFFAOYSA-N -1 3 255.277 3.250 20 0 CGADHM CC(C)c1cc(C(=O)Nc2cccc([O-])c2F)cc(=O)[nH]1 ZINC000182025509 374204707 /nfs/dbraw/zinc/20/47/07/374204707.db2.gz TYROIHYQNWVLPH-UHFFFAOYSA-N -1 3 290.294 3.008 20 0 CGADHM CC(C)Oc1ccccc1CNC(=O)c1cccc([O-])c1 ZINC000182157030 374228034 /nfs/dbraw/zinc/22/80/34/374228034.db2.gz CZSWEWHRAJCKED-UHFFFAOYSA-N -1 3 285.343 3.109 20 0 CGADHM Cc1o[n-]c(=NC(=O)c2cc3c(cc(C)cc3C)[nH]2)c1C ZINC000452152265 374252998 /nfs/dbraw/zinc/25/29/98/374252998.db2.gz MVFFANPLLRJNGR-UHFFFAOYSA-N -1 3 283.331 3.064 20 0 CGADHM O=C(N[C@@H](c1ccccc1)[C@H]1CCCO1)c1cccc([O-])c1 ZINC000182293825 374253167 /nfs/dbraw/zinc/25/31/67/374253167.db2.gz LCLPVIDCKSLDOR-SJORKVTESA-N -1 3 297.354 3.042 20 0 CGADHM O=C(NCCc1ccccc1Cl)c1cccc([O-])c1 ZINC000182242919 374243219 /nfs/dbraw/zinc/24/32/19/374243219.db2.gz DZRHFYSLIGQUAU-UHFFFAOYSA-N -1 3 275.735 3.018 20 0 CGADHM CC(C)c1ccc(C(=O)NCCC(C)(F)F)c([O-])c1 ZINC000452212558 374281970 /nfs/dbraw/zinc/28/19/70/374281970.db2.gz KUMUTVMYRRPREE-UHFFFAOYSA-N -1 3 271.307 3.291 20 0 CGADHM O=C(Nc1n[nH]c2c1cccc2Cl)c1cccc([O-])c1 ZINC000182851609 374336113 /nfs/dbraw/zinc/33/61/13/374336113.db2.gz KYGPDWCQCOGTHU-UHFFFAOYSA-N -1 3 287.706 3.174 20 0 CGADHM Cc1cccc([O-])c1NC(=O)c1cncc(OC(C)C)c1 ZINC000183051308 374363505 /nfs/dbraw/zinc/36/35/05/374363505.db2.gz YLINGSHDYLTIKM-UHFFFAOYSA-N -1 3 286.331 3.135 20 0 CGADHM C[C@@H](c1cc(F)ccc1F)N1CCC(C)(C(=O)[O-])CC1 ZINC000086776381 541940385 /nfs/dbraw/zinc/94/03/85/541940385.db2.gz QCGZRQQSWQFGDO-JTQLQIEISA-N -1 3 283.318 3.213 20 0 CGADHM CC[C@H](OC)C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000330394564 374459230 /nfs/dbraw/zinc/45/92/30/374459230.db2.gz JDIGGDOISYCHFP-ZDUSSCGKSA-N -1 3 265.353 3.053 20 0 CGADHM COc1ccc(NC(=O)CCC2CCCC2)c([O-])c1 ZINC000331290397 374520643 /nfs/dbraw/zinc/52/06/43/374520643.db2.gz ORLLYHYIZPGMQS-UHFFFAOYSA-N -1 3 263.337 3.310 20 0 CGADHM COc1cc(C(=O)N2C[C@H](C(C)C)[C@@H]2C(C)C)ccc1[O-] ZINC000456356837 374524820 /nfs/dbraw/zinc/52/48/20/374524820.db2.gz XRIDRRDKPOXGLK-CJNGLKHVSA-N -1 3 291.391 3.153 20 0 CGADHM CC(=O)Nc1cc(NCc2cc([O-])cc(F)c2)ccc1C ZINC000184138696 374496883 /nfs/dbraw/zinc/49/68/83/374496883.db2.gz DUZPORVLVYPOMN-UHFFFAOYSA-N -1 3 288.322 3.410 20 0 CGADHM CC(=O)c1ccc(C(=O)N2CC[C@H](CC(C)C)C2)cc1[O-] ZINC000331360074 374526680 /nfs/dbraw/zinc/52/66/80/374526680.db2.gz XJOMMXIZNPQJGU-CYBMUJFWSA-N -1 3 289.375 3.103 20 0 CGADHM CCC[C@@H]1CCCN(C(=O)c2ccc(C(C)=O)c([O-])c2)C1 ZINC000331356954 374526899 /nfs/dbraw/zinc/52/68/99/374526899.db2.gz SOXKYSPCAXITLA-CYBMUJFWSA-N -1 3 289.375 3.247 20 0 CGADHM C[C@@H](NC(=O)c1cc2c(cc1[O-])CCCC2)c1cccnc1 ZINC000332508538 374579888 /nfs/dbraw/zinc/57/98/88/374579888.db2.gz UBKXDEMWBLINME-GFCCVEGCSA-N -1 3 296.370 3.157 20 0 CGADHM CC(=O)c1cccc(C(=O)Nc2ccc(C)cc2[O-])c1 ZINC000334229655 206224779 /nfs/dbraw/zinc/22/47/79/206224779.db2.gz QOUSCNVWZWYJPC-UHFFFAOYSA-N -1 3 269.300 3.156 20 0 CGADHM [O-]c1cccc(CN2CCC(c3c[nH]cn3)CC2)c1Cl ZINC000334390719 374708752 /nfs/dbraw/zinc/70/87/52/374708752.db2.gz UAXOLOLKOGVFGG-UHFFFAOYSA-N -1 3 291.782 3.148 20 0 CGADHM Cc1ccc(CC(=O)N2CC[C@H](C)c3cccc([O-])c32)cn1 ZINC000186291791 374828711 /nfs/dbraw/zinc/82/87/11/374828711.db2.gz XTWCYRSOUKGWEZ-LBPRGKRZSA-N -1 3 296.370 3.179 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CC[C@H](C(F)(F)F)[C@H]2C)c1 ZINC000334470492 374777588 /nfs/dbraw/zinc/77/75/88/374777588.db2.gz FSIDXWGVDBOHND-KOLCDFICSA-N -1 3 287.281 3.114 20 0 CGADHM CN(CC1(c2ccccc2)CC1)C(=O)c1cccc([O-])c1 ZINC000186775655 374915390 /nfs/dbraw/zinc/91/53/90/374915390.db2.gz MIXXSQJZFZZFJA-UHFFFAOYSA-N -1 3 281.355 3.196 20 0 CGADHM CC(C)[C@H]1N(C(=O)c2csc(=O)[n-]2)CC12CCCCC2 ZINC000334616019 374907888 /nfs/dbraw/zinc/90/78/88/374907888.db2.gz XBESWJMFJRWZBO-GFCCVEGCSA-N -1 3 294.420 3.280 20 0 CGADHM Cc1ccc(C(=O)N2CCC[C@H]2c2cccnc2)c([O-])c1 ZINC000334699440 374986096 /nfs/dbraw/zinc/98/60/96/374986096.db2.gz IQFYUFWDEHSPFG-HNNXBMFYSA-N -1 3 282.343 3.073 20 0 CGADHM COC(=O)c1cnc(SCc2ccc3ccccc3n2)[n-]1 ZINC000187589908 375049978 /nfs/dbraw/zinc/04/99/78/375049978.db2.gz ZDALPUTZQHYFSK-UHFFFAOYSA-N -1 3 299.355 3.037 20 0 CGADHM COC(=O)c1cnc(S[C@@H](C)c2c(F)cccc2F)[n-]1 ZINC000187590073 375050522 /nfs/dbraw/zinc/05/05/22/375050522.db2.gz BXEIWWJOAWCLPU-ZETCQYMHSA-N -1 3 298.314 3.328 20 0 CGADHM CC[C@@H]1CCCC[C@H]1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000474420165 375109046 /nfs/dbraw/zinc/10/90/46/375109046.db2.gz XLJBILJDAHFOOY-BXUZGUMPSA-N -1 3 299.378 3.022 20 0 CGADHM CC[C@@H]1CCCC[C@H]1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000474420165 375109055 /nfs/dbraw/zinc/10/90/55/375109055.db2.gz XLJBILJDAHFOOY-BXUZGUMPSA-N -1 3 299.378 3.022 20 0 CGADHM CC[C@H]1CCCC[C@@H]1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000474420166 375109318 /nfs/dbraw/zinc/10/93/18/375109318.db2.gz XLJBILJDAHFOOY-FZMZJTMJSA-N -1 3 299.378 3.022 20 0 CGADHM CC[C@H]1CCCC[C@@H]1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000474420166 375109327 /nfs/dbraw/zinc/10/93/27/375109327.db2.gz XLJBILJDAHFOOY-FZMZJTMJSA-N -1 3 299.378 3.022 20 0 CGADHM CCC[C@H](CC1CCCC1)C(=O)NCc1ncccc1[O-] ZINC000473643957 375057906 /nfs/dbraw/zinc/05/79/06/375057906.db2.gz PRBJCXNRJDRWDB-CQSZACIVSA-N -1 3 290.407 3.400 20 0 CGADHM Cc1cc(S(=O)(=O)[N-]C[C@H]2CC2(C)C)sc1Cl ZINC000473850831 375063253 /nfs/dbraw/zinc/06/32/53/375063253.db2.gz PSPFQLARKBLMOJ-MRVPVSSYSA-N -1 3 293.841 3.034 20 0 CGADHM CCc1cc(C(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2)ccc1[O-] ZINC000487505337 375245109 /nfs/dbraw/zinc/24/51/09/375245109.db2.gz UCDKNMMURYGASD-JKSUJKDBSA-N -1 3 299.345 3.380 20 0 CGADHM CCc1ccc(C(=O)N2C[C@@H]3CCCC[C@H]3C2)c([O-])c1 ZINC000188265908 375186831 /nfs/dbraw/zinc/18/68/31/375186831.db2.gz OOFPAHGJTBKTPB-KBPBESRZSA-N -1 3 273.376 3.217 20 0 CGADHM Cc1cnccc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000335167362 375194062 /nfs/dbraw/zinc/19/40/62/375194062.db2.gz KSODUSIQLBONIP-UHFFFAOYSA-N -1 3 262.696 3.001 20 0 CGADHM Cc1ccccc1NC(=O)c1n[n-]nc1-c1ccccc1 ZINC000188388544 375209125 /nfs/dbraw/zinc/20/91/25/375209125.db2.gz ADOGNLSUDHHOGV-UHFFFAOYSA-N -1 3 278.315 3.032 20 0 CGADHM O=C(Nc1ccc(O)cc1)c1cn[n-]c1-c1ccsc1 ZINC000188532567 375226595 /nfs/dbraw/zinc/22/65/95/375226595.db2.gz XNWMJVVFLNLEQJ-UHFFFAOYSA-N -1 3 285.328 3.096 20 0 CGADHM O=C(Nc1ccc(O)cc1)c1c[n-]nc1-c1ccsc1 ZINC000188532567 375226603 /nfs/dbraw/zinc/22/66/03/375226603.db2.gz XNWMJVVFLNLEQJ-UHFFFAOYSA-N -1 3 285.328 3.096 20 0 CGADHM CCc1onc(C)c1[N-]C(=O)c1oc(CC(C)C)nc1C ZINC000189098526 375324298 /nfs/dbraw/zinc/32/42/98/375324298.db2.gz JRBMGDCSDYSEIX-UHFFFAOYSA-N -1 3 291.351 3.293 20 0 CGADHM COc1ccc(NC(=O)/C=C/c2ccccc2)c([O-])c1 ZINC000492000959 375391470 /nfs/dbraw/zinc/39/14/70/375391470.db2.gz MMWWKCLVOUXTAC-JXMROGBWSA-N -1 3 269.300 3.053 20 0 CGADHM CC(C)Cc1ncc(C[N-]c2nnc(C(F)F)o2)s1 ZINC000189288191 375357569 /nfs/dbraw/zinc/35/75/69/375357569.db2.gz ZGOBRAKJRXZPPG-UHFFFAOYSA-N -1 3 288.323 3.274 20 0 CGADHM C/C=C(/C=C/C(=O)Nc1ccc(OC)cc1[O-])CC ZINC000491962757 375379366 /nfs/dbraw/zinc/37/93/66/375379366.db2.gz KKDYDLRIEGLSMS-WEKRPSOOSA-N -1 3 261.321 3.252 20 0 CGADHM Cc1ccc(C(=O)N2CCC(C(F)F)CC2)c([O-])c1C ZINC000335825893 375462281 /nfs/dbraw/zinc/46/22/81/375462281.db2.gz QXBMRWYTPIVPRQ-UHFFFAOYSA-N -1 3 283.318 3.126 20 0 CGADHM Cc1nn(C)cc1[C@@H](C)[N-]c1nc(-c2ccc(C)cc2)no1 ZINC000189598366 375421091 /nfs/dbraw/zinc/42/10/91/375421091.db2.gz OOSWYQWZMSGMQL-LLVKDONJSA-N -1 3 297.362 3.260 20 0 CGADHM O=[S@](C[C@H]1CCCC(F)(F)C1)c1ccc([O-])cc1 ZINC000335921974 375542280 /nfs/dbraw/zinc/54/22/80/375542280.db2.gz MXFJIZWKZGLKFF-XTZNXHDOSA-N -1 3 274.332 3.325 20 0 CGADHM CC(C)(C)c1cnc([N-]C(=O)c2ncc(F)cc2F)s1 ZINC000335893820 375520461 /nfs/dbraw/zinc/52/04/61/375520461.db2.gz LKOPRDHNJDVVMV-UHFFFAOYSA-N -1 3 297.330 3.366 20 0 CGADHM O=C(Nc1ccc([O-])cc1F)c1ccc(C2CC2)cn1 ZINC000335904838 375528972 /nfs/dbraw/zinc/52/89/72/375528972.db2.gz OYNCYECUWDFXHD-UHFFFAOYSA-N -1 3 272.279 3.056 20 0 CGADHM O=C(c1cc([O-])ccc1Cl)N1CCCC12CCC2 ZINC000335942378 375557444 /nfs/dbraw/zinc/55/74/44/375557444.db2.gz GKJUVIYYNOXBSH-UHFFFAOYSA-N -1 3 265.740 3.204 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CCCC[C@@H]2c2cc[nH]n2)c1 ZINC000335951331 375565152 /nfs/dbraw/zinc/56/51/52/375565152.db2.gz JTDLBRXOHNBYRY-OAHLLOKOSA-N -1 3 299.374 3.045 20 0 CGADHM CC(C)(C)Oc1ccc(NC(=O)[N-]c2cnns2)cc1 ZINC000192328384 375732539 /nfs/dbraw/zinc/73/25/39/375732539.db2.gz XACXCFBCCIZPKH-UHFFFAOYSA-N -1 3 292.364 3.359 20 0 CGADHM CCc1nc(C(=O)[N-]c2ccsc2Cl)co1 ZINC000336161295 375737919 /nfs/dbraw/zinc/73/79/19/375737919.db2.gz CLPUWDZWQKLCKT-UHFFFAOYSA-N -1 3 256.714 3.204 20 0 CGADHM CC[C@@H]1C[C@@H](C)CN1Cc1c(F)ccc([O-])c1F ZINC000508636516 375754386 /nfs/dbraw/zinc/75/43/86/375754386.db2.gz LHTJQCQYSUUZOU-NXEZZACHSA-N -1 3 255.308 3.291 20 0 CGADHM CC(C)C[C@H](C(=O)[O-])N1CCc2sc(Cl)cc2C1 ZINC000516975924 375824691 /nfs/dbraw/zinc/82/46/91/375824691.db2.gz NQFFERLXKRMESX-SNVBAGLBSA-N -1 3 287.812 3.259 20 0 CGADHM C[C@H]1CN(C(=O)c2cc(=O)c3ccccc3[n-]2)CC(C)(C)C1 ZINC000336590053 375857248 /nfs/dbraw/zinc/85/72/48/375857248.db2.gz VCQOHSCDWIGHBM-GFCCVEGCSA-N -1 3 298.386 3.036 20 0 CGADHM COC(=O)c1cnc(SCc2cccc3cccnc32)[n-]1 ZINC000193543769 375892539 /nfs/dbraw/zinc/89/25/39/375892539.db2.gz FTLARWSIKIGXTL-UHFFFAOYSA-N -1 3 299.355 3.037 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2cnc3ccc(F)cc3c2)n1 ZINC000345990358 217773880 /nfs/dbraw/zinc/77/38/80/217773880.db2.gz PUIXVLYZMSCKRC-UHFFFAOYSA-N -1 3 297.289 3.035 20 0 CGADHM CN(CCCCc1ccccc1)C(=O)c1ccc(O)cc1[O-] ZINC000193702067 375912124 /nfs/dbraw/zinc/91/21/24/375912124.db2.gz VHWTZOKYEODWFF-UHFFFAOYSA-N -1 3 299.370 3.193 20 0 CGADHM CC(C)=CCN(CC(=O)[O-])Cc1ccc(Cl)cc1 ZINC000520594560 375865927 /nfs/dbraw/zinc/86/59/27/375865927.db2.gz NEIODKALLGEDDM-UHFFFAOYSA-N -1 3 267.756 3.193 20 0 CGADHM O=C(Nc1cccc([O-])c1F)c1cccc2cccnc21 ZINC000534944665 376007456 /nfs/dbraw/zinc/00/74/56/376007456.db2.gz LMQYPNARQKQQOG-UHFFFAOYSA-N -1 3 282.274 3.332 20 0 CGADHM [O-]c1cccc(CNCC[C@@H]2CCCCO2)c1Cl ZINC000336892236 376021689 /nfs/dbraw/zinc/02/16/89/376021689.db2.gz JNTLGVJCPGYNJQ-LBPRGKRZSA-N -1 3 269.772 3.094 20 0 CGADHM C[C@H]1CCN(C(=O)c2ccc3n[n-]nc3c2)c2ccccc21 ZINC000194602723 376024474 /nfs/dbraw/zinc/02/44/74/376024474.db2.gz PXJXIUFANDGWHF-NSHDSACASA-N -1 3 292.342 3.112 20 0 CGADHM CCc1cccc(C(=O)N(CC(F)F)CC2CCC2)c1[O-] ZINC000536712496 376126891 /nfs/dbraw/zinc/12/68/91/376126891.db2.gz BEHKYOCVRNQNCP-UHFFFAOYSA-N -1 3 297.345 3.462 20 0 CGADHM CCN(Cc1ccc(C)cc1)C(=O)c1ccccc1[O-] ZINC000539845350 376341669 /nfs/dbraw/zinc/34/16/69/376341669.db2.gz KDCABGOBRXMMOL-UHFFFAOYSA-N -1 3 269.344 3.363 20 0 CGADHM CCc1cc(=O)[n-]c(CN(C)[C@@H](C)C2CCCCC2)n1 ZINC000338354171 376347215 /nfs/dbraw/zinc/34/72/15/376347215.db2.gz IDPWTAOXTXTASW-LBPRGKRZSA-N -1 3 277.412 3.145 20 0 CGADHM CCC(CC)(OC)c1noc(-c2cccc(OC)c2[O-])n1 ZINC000227834010 376415029 /nfs/dbraw/zinc/41/50/29/376415029.db2.gz ZYAMZMVAOGFMRH-UHFFFAOYSA-N -1 3 292.335 3.113 20 0 CGADHM C[C@H](c1ccc(F)c(F)c1)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000226419668 376357787 /nfs/dbraw/zinc/35/77/87/376357787.db2.gz DQVBRDHZJGJHFF-MNOVXSKESA-N -1 3 283.318 3.213 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-][C@H](C)[C@H](C)C2CCCCC2)o1 ZINC000540215212 376367692 /nfs/dbraw/zinc/36/76/92/376367692.db2.gz DTICESSVZQRKBU-QWHCGFSZSA-N -1 3 299.436 3.471 20 0 CGADHM CCC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(C)o1 ZINC000540218997 376368267 /nfs/dbraw/zinc/36/82/67/376368267.db2.gz YVCFSDJFYCWZID-OLZOCXBDSA-N -1 3 285.409 3.225 20 0 CGADHM CCS[C@H]1CCC[C@@H]1NC(=O)c1ccc([O-])c(C)c1 ZINC000226718429 376369338 /nfs/dbraw/zinc/36/93/38/376369338.db2.gz NOQKONNRBWDQPS-JSGCOSHPSA-N -1 3 279.405 3.105 20 0 CGADHM Cc1cc(C(=O)N(C)Cc2ccccc2F)ccc1[O-] ZINC000226716971 376370169 /nfs/dbraw/zinc/37/01/69/376370169.db2.gz ICURIUDVIIOHQI-UHFFFAOYSA-N -1 3 273.307 3.112 20 0 CGADHM Cc1cc(C(=O)Nc2cc(F)cc(F)c2)ccc1[O-] ZINC000227015381 376377446 /nfs/dbraw/zinc/37/74/46/376377446.db2.gz OLJLAHPHNBKXMA-UHFFFAOYSA-N -1 3 263.243 3.231 20 0 CGADHM Cc1cc(C(=O)N(C)CCc2cccs2)ccc1[O-] ZINC000227035796 376379079 /nfs/dbraw/zinc/37/90/79/376379079.db2.gz SITNVCQTWYJREB-UHFFFAOYSA-N -1 3 275.373 3.077 20 0 CGADHM Cc1cc(C(=O)NC2CCC(C)(C)CC2)ccc1[O-] ZINC000227034540 376379126 /nfs/dbraw/zinc/37/91/26/376379126.db2.gz BOICCYCRSSIKMT-UHFFFAOYSA-N -1 3 261.365 3.399 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-]CC2(C)CCCCCC2)o1 ZINC000540655360 376388837 /nfs/dbraw/zinc/38/88/37/376388837.db2.gz SIOUDKXIWHNEIG-UHFFFAOYSA-N -1 3 285.409 3.227 20 0 CGADHM CC1(C)CCC[C@@H]1C(=O)Nc1ccc([O-])cc1F ZINC000229016705 376454749 /nfs/dbraw/zinc/45/47/49/376454749.db2.gz HFZBSKPHFFEXLZ-SNVBAGLBSA-N -1 3 251.301 3.296 20 0 CGADHM CC(C)[C@@H]1C[C@H]1C(=O)Nc1ccc(Br)cc1[O-] ZINC000542007136 376501607 /nfs/dbraw/zinc/50/16/07/376501607.db2.gz LCWQIAYGHNOWRQ-VHSXEESVSA-N -1 3 298.180 3.385 20 0 CGADHM CC[C@H]1C[C@@H](CC(=O)Nc2cccc([O-])c2F)CCO1 ZINC000541993618 376502450 /nfs/dbraw/zinc/50/24/50/376502450.db2.gz MOPKGSSGGSCQOA-QWRGUYRKSA-N -1 3 281.327 3.065 20 0 CGADHM Cc1cc(C(=O)N2CC[C@H](C(C)(C)C)C2)ccc1[O-] ZINC000230181843 376493909 /nfs/dbraw/zinc/49/39/09/376493909.db2.gz MSCLPPGQBYIHSD-ZDUSSCGKSA-N -1 3 261.365 3.209 20 0 CGADHM C[C@H]1CCC[C@H]1CNC(=O)c1cc([O-])ccc1Cl ZINC000230688315 376533695 /nfs/dbraw/zinc/53/36/95/376533695.db2.gz DXODARBHEMQBCL-UWVGGRQHSA-N -1 3 267.756 3.212 20 0 CGADHM CCc1cccc(C(=O)N2CC[C@H](C(C)(C)C)C2)c1[O-] ZINC000542415773 376540691 /nfs/dbraw/zinc/54/06/91/376540691.db2.gz IEZPZHCGYMAYSQ-ZDUSSCGKSA-N -1 3 275.392 3.463 20 0 CGADHM O=C(Cc1ccc(Cl)s1)Nc1ccc([O-])cc1F ZINC000334321610 206365995 /nfs/dbraw/zinc/36/59/95/206365995.db2.gz IBHKDKXYZCOTMI-UHFFFAOYSA-N -1 3 285.727 3.427 20 0 CGADHM O=C(Nc1ccc(Cl)cc1[O-])[C@@H]1C[C@H]1C1CC1 ZINC000339007566 376626966 /nfs/dbraw/zinc/62/69/66/376626966.db2.gz VDHJAKDSUUKZNJ-VHSXEESVSA-N -1 3 251.713 3.030 20 0 CGADHM C[C@@H]1CCCN(C(=O)c2cc([O-])ccc2Cl)CC1 ZINC000235390286 376639991 /nfs/dbraw/zinc/63/99/91/376639991.db2.gz XJDJNGBNYDOSNU-SNVBAGLBSA-N -1 3 267.756 3.308 20 0 CGADHM O=C(NCC1CCCCC1)c1cc([O-])ccc1Cl ZINC000236610716 376672294 /nfs/dbraw/zinc/67/22/94/376672294.db2.gz OEVQOLHXYHPTQB-UHFFFAOYSA-N -1 3 267.756 3.356 20 0 CGADHM CCCCn1c(=O)[n-]nc1SC[C@@H]1CCC(F)(F)C1 ZINC000339116939 376692755 /nfs/dbraw/zinc/69/27/55/376692755.db2.gz ROVXXTRHLPVFOG-SECBINFHSA-N -1 3 291.367 3.311 20 0 CGADHM COc1ccc(NC(=O)Cc2c[nH]c3ccccc23)c([O-])c1 ZINC000135406075 542088465 /nfs/dbraw/zinc/08/84/65/542088465.db2.gz ZNLOLFXOFCYURD-UHFFFAOYSA-N -1 3 296.326 3.063 20 0 CGADHM COc1ccc(NC(=O)c2sccc2C)c([O-])c1 ZINC000135422902 542087750 /nfs/dbraw/zinc/08/77/50/542087750.db2.gz SFWOTYGYTIDXPU-UHFFFAOYSA-N -1 3 263.318 3.023 20 0 CGADHM CN(CC(=O)Nc1ccc(Cl)cc1[O-])c1ccccc1 ZINC000153565105 542112741 /nfs/dbraw/zinc/11/27/41/542112741.db2.gz NDOCXIYALDOTLC-UHFFFAOYSA-N -1 3 290.750 3.121 20 0 CGADHM CCc1occc1C(=O)Nc1c([O-])cccc1Cl ZINC000557183290 376923544 /nfs/dbraw/zinc/92/35/44/376923544.db2.gz ANIRKPBZYDLNIE-UHFFFAOYSA-N -1 3 265.696 3.453 20 0 CGADHM CSc1ccc(Cl)cc1[N-]C(=O)c1cc(C)ncn1 ZINC000559669951 377093973 /nfs/dbraw/zinc/09/39/73/377093973.db2.gz TWUDODIWOQZMNW-UHFFFAOYSA-N -1 3 293.779 3.413 20 0 CGADHM O=C(Nc1c([O-])cccc1Cl)c1ccc2c(c1)OCO2 ZINC000560820571 377193597 /nfs/dbraw/zinc/19/35/97/377193597.db2.gz YJLREPOUWWLJMD-UHFFFAOYSA-N -1 3 291.690 3.027 20 0 CGADHM CC(C)CO[C@@H](C)c1nc(-c2ccc([O-])cc2)no1 ZINC000561661603 377236876 /nfs/dbraw/zinc/23/68/76/377236876.db2.gz KGJWFHDGZNSIHU-JTQLQIEISA-N -1 3 262.309 3.176 20 0 CGADHM C[C@@H](NCc1ncccc1[O-])c1cccc(OC(F)F)c1 ZINC000561951593 377254436 /nfs/dbraw/zinc/25/44/36/377254436.db2.gz RRFOFCAGEBCPPG-SNVBAGLBSA-N -1 3 294.301 3.239 20 0 CGADHM CC[C@H]1CC[C@H](NC(=O)c2c[n-]nc2-c2ccccn2)CC1 ZINC000562253417 377285984 /nfs/dbraw/zinc/28/59/84/377285984.db2.gz TWTUMQONPVRBRY-JOCQHMNTSA-N -1 3 298.390 3.170 20 0 CGADHM CC[C@@H]1Cc2ccccc2CN1Cc1occc1C(=O)[O-] ZINC000563284807 377437574 /nfs/dbraw/zinc/43/75/74/377437574.db2.gz WAIODMCFIYOQFT-CQSZACIVSA-N -1 3 285.343 3.315 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N[C@@H](C)[C@H](C)c2ccccc2)n1 ZINC000248774930 377400081 /nfs/dbraw/zinc/40/00/81/377400081.db2.gz UEFNHNCPEURUBY-IHRRRGAJSA-N -1 3 285.391 3.333 20 0 CGADHM CCN(Cc1ccccc1C)C(=O)c1c([O-])cccc1O ZINC000092107629 249032965 /nfs/dbraw/zinc/03/29/65/249032965.db2.gz NVJAQLBRRDCRBY-UHFFFAOYSA-N -1 3 285.343 3.069 20 0 CGADHM O=c1cc(CNc2cc(F)cc(F)c2F)nc(C2CC2)[n-]1 ZINC000417040511 249124682 /nfs/dbraw/zinc/12/46/82/249124682.db2.gz OXNSPJZIQLVSFF-UHFFFAOYSA-N -1 3 295.264 3.089 20 0 CGADHM Cc1ccc(C(=O)N=c2cc3ccccn3[n-]2)c(Cl)c1C ZINC000516797605 249243991 /nfs/dbraw/zinc/24/39/91/249243991.db2.gz CMCHWOCGPXDRHX-UHFFFAOYSA-N -1 3 299.761 3.279 20 0 CGADHM CCC[C@H]1CCCN(Cc2csc(C(=O)[O-])c2)C1 ZINC000516872547 249247232 /nfs/dbraw/zinc/24/72/32/249247232.db2.gz FKLDQGGTDVFMOQ-NSHDSACASA-N -1 3 267.394 3.458 20 0 CGADHM CC[C@@H](C)[C@@H]1CCCCN1C(=O)c1cccc(OC)c1[O-] ZINC000265656360 190197201 /nfs/dbraw/zinc/19/72/01/190197201.db2.gz YXWHRRSJALEYCW-OCCSQVGLSA-N -1 3 291.391 3.442 20 0 CGADHM CCC(C)(C)[C@H](NCc1cc(Cl)ccc1F)C(=O)[O-] ZINC000574158726 377628426 /nfs/dbraw/zinc/62/84/26/377628426.db2.gz SALBKHUHWCRNNC-GFCCVEGCSA-N -1 3 287.762 3.458 20 0 CGADHM CC[C@H]1CCCN([C@H](C)c2ccc(C(=O)[O-])o2)C1 ZINC000252560739 377639079 /nfs/dbraw/zinc/63/90/79/377639079.db2.gz VWZVEOORXATZQW-MNOVXSKESA-N -1 3 251.326 3.161 20 0 CGADHM CN(Cc1occc1C(=O)[O-])[C@H]1CCCc2ccccc21 ZINC000574406198 377659817 /nfs/dbraw/zinc/65/98/17/377659817.db2.gz JMDZRDCAPLZTCT-HNNXBMFYSA-N -1 3 285.343 3.487 20 0 CGADHM Cc1ccc(NC(=O)/C=C\c2cncc([O-])c2)c(C)c1 ZINC000255052742 377726406 /nfs/dbraw/zinc/72/64/06/377726406.db2.gz XYVGADTUTVXIGZ-XQRVVYSFSA-N -1 3 268.316 3.056 20 0 CGADHM O=C(/C=C\c1cccc(F)c1)Nc1cccc([O-])c1F ZINC000255293587 377747691 /nfs/dbraw/zinc/74/76/91/377747691.db2.gz KSVKHFICMHMKOW-FPLPWBNLSA-N -1 3 275.254 3.322 20 0 CGADHM Cc1ncc(/C=C\C(=O)Nc2cc(Cl)ccc2[O-])s1 ZINC000255571351 377768524 /nfs/dbraw/zinc/76/85/24/377768524.db2.gz MOILIGKQLYCWCA-HYXAFXHYSA-N -1 3 294.763 3.462 20 0 CGADHM O=C(/C=C\c1cncc([O-])c1)Nc1ccc(Cl)cc1 ZINC000255640452 377773610 /nfs/dbraw/zinc/77/36/10/377773610.db2.gz LFLONAHHIIJFHH-BHQIHCQQSA-N -1 3 274.707 3.093 20 0 CGADHM Cc1cccc(C(=O)N[C@H]2CCc3c2cccc3F)c1[O-] ZINC000261376918 377810038 /nfs/dbraw/zinc/81/00/38/377810038.db2.gz PJYGIJRVLPVJNZ-HNNXBMFYSA-N -1 3 285.318 3.257 20 0 CGADHM C[C@@H]1C[C@H]1c1ccc(CN2CCC[C@H](C(=O)[O-])[C@@H]2C)o1 ZINC000263014013 377913704 /nfs/dbraw/zinc/91/37/04/377913704.db2.gz CPYVHZPHFCMASD-UVLXDEKHSA-N -1 3 277.364 3.088 20 0 CGADHM C[C@@H]1CC2(CCC2)CN1Cc1ccc(C(=O)[O-])c(F)c1 ZINC000578084259 378036054 /nfs/dbraw/zinc/03/60/54/378036054.db2.gz UKXGZWNZWRSYHQ-LLVKDONJSA-N -1 3 277.339 3.288 20 0 CGADHM Cc1ccc2ncc(C(=O)[O-])c(N3CCC[C@H]3CF)c2c1 ZINC000579112622 378131046 /nfs/dbraw/zinc/13/10/46/378131046.db2.gz IJEUPELRVWDOQH-NSHDSACASA-N -1 3 288.322 3.180 20 0 CGADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H]3CC[C@@H]3C)nc2)n1 ZINC000343807100 378098049 /nfs/dbraw/zinc/09/80/49/378098049.db2.gz KDMCJXSHNQUJNJ-GXFFZTMASA-N -1 3 284.363 3.017 20 0 CGADHM CC(C)COCCC(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000345123413 378200074 /nfs/dbraw/zinc/20/00/74/378200074.db2.gz FARBTJWHXOFBCM-CYBMUJFWSA-N -1 3 291.391 3.295 20 0 CGADHM CCCN(Cc1ccc(C(=O)[O-])s1)C[C@H]1CCCCO1 ZINC000579842252 378202029 /nfs/dbraw/zinc/20/20/29/378202029.db2.gz CKDQHKBEKDKXAO-GFCCVEGCSA-N -1 3 297.420 3.227 20 0 CGADHM Cc1noc(C)c1[N-]C(=O)c1cnc(C(C)C)s1 ZINC000269414943 378218879 /nfs/dbraw/zinc/21/88/79/378218879.db2.gz FQWFDKHQVVCWQF-UHFFFAOYSA-N -1 3 265.338 3.124 20 0 CGADHM Cc1cc(C(=O)N(C)C[C@H]2CC=CCC2)ccc1[O-] ZINC000345481304 378292926 /nfs/dbraw/zinc/29/29/26/378292926.db2.gz UNGSTRMJCXJVPN-ZDUSSCGKSA-N -1 3 259.349 3.129 20 0 CGADHM C[C@H]1CCN(C(=O)c2cc(=O)c3ccccc3[n-]2)C[C@H](C)C1 ZINC000269849657 378272396 /nfs/dbraw/zinc/27/23/96/378272396.db2.gz XQJZXMFPJQAHAC-QWHCGFSZSA-N -1 3 298.386 3.449 20 0 CGADHM Cc1noc(C)c1[C@H](C)Cc1nc(-c2ccc([O-])cc2)no1 ZINC000269902246 378279403 /nfs/dbraw/zinc/27/94/03/378279403.db2.gz GYPXGBCSNXQGQK-SECBINFHSA-N -1 3 299.330 3.393 20 0 CGADHM CC[C@@H](C)Sc1ccc(NC(=O)c2nc[n-]n2)c(C)c1 ZINC000269609847 378243422 /nfs/dbraw/zinc/24/34/22/378243422.db2.gz RHCVFXVOKATEBM-SNVBAGLBSA-N -1 3 290.392 3.256 20 0 CGADHM CC[C@H](C)N(C)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000345598221 378320247 /nfs/dbraw/zinc/32/02/47/378320247.db2.gz LBQVZKWTUMCLOR-NSHDSACASA-N -1 3 267.344 3.111 20 0 CGADHM CN(Cc1ccc(Cl)c(F)c1)Cc1ncccc1[O-] ZINC000583591252 378333964 /nfs/dbraw/zinc/33/39/64/378333964.db2.gz HQLOSSOBTZRZCS-UHFFFAOYSA-N -1 3 280.730 3.212 20 0 CGADHM CCc1onc(C)c1[N-]C(=O)c1c(C)noc1C(C)C ZINC000270386993 378344828 /nfs/dbraw/zinc/34/48/28/378344828.db2.gz ADHBNBRUZAGGGI-UHFFFAOYSA-N -1 3 277.324 3.218 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2cc(C)c(F)cc2Cl)n1 ZINC000345932784 378413462 /nfs/dbraw/zinc/41/34/62/378413462.db2.gz IFNFCXXXNIDCSG-UHFFFAOYSA-N -1 3 294.713 3.449 20 0 CGADHM C[C@@H]1CCN(C(=O)c2cc(=O)c3ccccc3[n-]2)C[C@@H]1C ZINC000270913273 378413965 /nfs/dbraw/zinc/41/39/65/378413965.db2.gz CUHLKYBPVXEQAX-NEPJUHHUSA-N -1 3 284.359 3.059 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2cc3ccccc3nc2C)n1 ZINC000346001431 378435423 /nfs/dbraw/zinc/43/54/23/378435423.db2.gz WDIMJXQKTMUJDF-UHFFFAOYSA-N -1 3 293.326 3.205 20 0 CGADHM Cc1noc([N-]C(=O)[C@H](C)OCc2ccccc2C)c1C ZINC000636924911 378438676 /nfs/dbraw/zinc/43/86/76/378438676.db2.gz KSKWBACVISLFAQ-ZDUSSCGKSA-N -1 3 288.347 3.144 20 0 CGADHM COc1cc(C(=O)N2CC[C@H](c3ccccc3)C2)ccc1[O-] ZINC000272630268 378679479 /nfs/dbraw/zinc/67/94/79/378679479.db2.gz UQVUIAAAXMNGEV-HNNXBMFYSA-N -1 3 297.354 3.031 20 0 CGADHM CC[C@@H](CSC)NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000346607959 378643498 /nfs/dbraw/zinc/64/34/98/378643498.db2.gz IFACFTFOFXQEHH-LBPRGKRZSA-N -1 3 299.411 3.112 20 0 CGADHM [O-]c1cccnc1CNCc1cnc(-c2ccccc2)s1 ZINC000348042595 378763029 /nfs/dbraw/zinc/76/30/29/378763029.db2.gz NOBNJRJFNOMHQS-UHFFFAOYSA-N -1 3 297.383 3.201 20 0 CGADHM C[C@H]1CCN(C(=O)c2cc(=O)c3ccccc3[n-]2)CC1(C)C ZINC000274237123 378795981 /nfs/dbraw/zinc/79/59/81/378795981.db2.gz QUNLFKIHYFYRBY-LBPRGKRZSA-N -1 3 298.386 3.449 20 0 CGADHM CC(C)OCCCC(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000274427750 378831490 /nfs/dbraw/zinc/83/14/90/378831490.db2.gz ZYMBUXVESAGFGT-ZDUSSCGKSA-N -1 3 291.391 3.438 20 0 CGADHM Cc1ncc(CN[C@@H](C)c2ccc(F)cc2Cl)c(=O)[n-]1 ZINC000346808816 218020952 /nfs/dbraw/zinc/02/09/52/218020952.db2.gz NYQNZAYYBIVIID-QMMMGPOBSA-N -1 3 295.745 3.134 20 0 CGADHM Cc1ncc(CN[C@@H]2CC(C)(C)c3ccccc32)c(=O)[n-]1 ZINC000346804988 218021041 /nfs/dbraw/zinc/02/10/41/218021041.db2.gz YOKAAWMGEUPGEP-OAHLLOKOSA-N -1 3 283.375 3.003 20 0 CGADHM COc1cc(C(=O)NCC(C)(C)C(C)(C)C)ccc1[O-] ZINC000348473329 378963223 /nfs/dbraw/zinc/96/32/23/378963223.db2.gz AFOPGMBIWPXLFS-UHFFFAOYSA-N -1 3 279.380 3.203 20 0 CGADHM CC[C@@H](C)[C@@H]1CCCCN1C(=O)c1ccc([O-])c(OC)c1 ZINC000276967668 379033387 /nfs/dbraw/zinc/03/33/87/379033387.db2.gz SVINFBQOBJPYGA-OCCSQVGLSA-N -1 3 291.391 3.442 20 0 CGADHM CC(C)N(Cc1cccnc1)Cc1cc([O-])cc(F)c1 ZINC000349237273 379199593 /nfs/dbraw/zinc/19/95/93/379199593.db2.gz FFBQQUJTQQQRCG-UHFFFAOYSA-N -1 3 274.339 3.337 20 0 CGADHM O=C(NC1CCC2(CC2)CC1)c1cc(=O)c2ccccc2[n-]1 ZINC000277681207 379214880 /nfs/dbraw/zinc/21/48/80/379214880.db2.gz UABPOFXLEUGIPF-UHFFFAOYSA-N -1 3 296.370 3.393 20 0 CGADHM COC1(c2noc(/C=C/c3cccc([O-])c3)n2)CCCC1 ZINC000277789721 379235375 /nfs/dbraw/zinc/23/53/75/379235375.db2.gz FTPNVOJTGMYJJB-BQYQJAHWSA-N -1 3 286.331 3.361 20 0 CGADHM COc1ccc2c(c1)[C@@H](C(=O)Nc1c(C)cccc1[O-])CC2 ZINC000277835201 379246341 /nfs/dbraw/zinc/24/63/41/379246341.db2.gz CRFUFPRAZISBLM-AWEZNQCLSA-N -1 3 297.354 3.378 20 0 CGADHM [O-]c1cc(F)cc(CNCc2cccc(-n3ccnc3)c2)c1 ZINC000349599779 379316066 /nfs/dbraw/zinc/31/60/66/379316066.db2.gz PCKBRQYIDVULQZ-UHFFFAOYSA-N -1 3 297.333 3.007 20 0 CGADHM CCn1nc(CNCc2ccc([O-])c(F)c2)c2ccccc21 ZINC000349571606 379308489 /nfs/dbraw/zinc/30/84/89/379308489.db2.gz WEDAZKHLYCWEPZ-UHFFFAOYSA-N -1 3 299.349 3.191 20 0 CGADHM C[C@@H]1CC[C@H](NC(=O)c2c[n-]c3ccccc3c2=O)C[C@H]1C ZINC000349591463 379313513 /nfs/dbraw/zinc/31/35/13/379313513.db2.gz UPCDBVDJXIIMTO-UPJWGTAASA-N -1 3 298.386 3.083 20 0 CGADHM COC[C@H]([N-]c1nnc(C2CC2)o1)c1ccc(F)c(F)c1 ZINC000278425282 379382962 /nfs/dbraw/zinc/38/29/62/379382962.db2.gz PAZPMPLCKQHZED-LBPRGKRZSA-N -1 3 295.289 3.025 20 0 CGADHM O=C([N-]c1nc2ccsc2s1)c1cnc(C2CC2)o1 ZINC000639784165 379583821 /nfs/dbraw/zinc/58/38/21/379583821.db2.gz JWQMHTCZJPJVMZ-UHFFFAOYSA-N -1 3 291.357 3.476 20 0 CGADHM CCOc1cc(-c2noc(Cc3ccoc3)n2)ccc1[O-] ZINC000350794793 379585444 /nfs/dbraw/zinc/58/54/44/379585444.db2.gz QRDXFHLPRVFUSP-UHFFFAOYSA-N -1 3 286.287 3.025 20 0 CGADHM Cc1ccc(-c2noc(-c3cc(-c4ccco4)n[n-]3)n2)o1 ZINC000350805667 379587682 /nfs/dbraw/zinc/58/76/82/379587682.db2.gz OSMWZQAXWWBTBY-UHFFFAOYSA-N -1 3 282.259 3.288 20 0 CGADHM Cc1ccc(-c2noc(-c3cc(-c4ccco4)[n-]n3)n2)o1 ZINC000350805667 379587686 /nfs/dbraw/zinc/58/76/86/379587686.db2.gz OSMWZQAXWWBTBY-UHFFFAOYSA-N -1 3 282.259 3.288 20 0 CGADHM CO[C@]1(C)CCCN(C(=O)c2ccc(C)c(C)c2[O-])CC1 ZINC000279961846 379563842 /nfs/dbraw/zinc/56/38/42/379563842.db2.gz JRXRXFPOIZWUII-QGZVFWFLSA-N -1 3 291.391 3.040 20 0 CGADHM CC(=O)c1ccc(Cc2nc(-c3ccc([O-])cc3)no2)cc1 ZINC000350572908 379564610 /nfs/dbraw/zinc/56/46/10/379564610.db2.gz QSIUVKYZBHBAGT-UHFFFAOYSA-N -1 3 294.310 3.236 20 0 CGADHM Cc1ccc(-c2noc(-c3cccc(C)c3[O-])n2)cn1 ZINC000350580547 379566981 /nfs/dbraw/zinc/56/69/81/379566981.db2.gz YNEWHCDRKAUJFF-UHFFFAOYSA-N -1 3 267.288 3.121 20 0 CGADHM CCOc1cc(-c2noc([C@H](OC)C(C)C)n2)ccc1[O-] ZINC000350614358 379576666 /nfs/dbraw/zinc/57/66/66/379576666.db2.gz SLWBWUYSOFEHSP-CYBMUJFWSA-N -1 3 292.335 3.184 20 0 CGADHM Cc1cc([N-]C(=O)[C@H](C)Oc2ccc(Cl)cc2F)on1 ZINC000193133442 542270382 /nfs/dbraw/zinc/27/03/82/542270382.db2.gz XUMOBPCDIHPDFS-QMMMGPOBSA-N -1 3 298.701 3.182 20 0 CGADHM CC1(C)CN(Cc2cc(=O)[n-]c(C3CC3)n2)[C@@H]1c1ccco1 ZINC000639929620 379652174 /nfs/dbraw/zinc/65/21/74/379652174.db2.gz OPPHOOTVMOYDMK-OAHLLOKOSA-N -1 3 299.374 3.236 20 0 CGADHM CCO[C@@H](C(=O)[N-]c1onc(C)c1C)c1ccccc1 ZINC000267186319 190310115 /nfs/dbraw/zinc/31/01/15/190310115.db2.gz JKTCIUPQCVMRKF-CYBMUJFWSA-N -1 3 274.320 3.008 20 0 CGADHM Cc1cc(C(=O)N[C@H]2C[C@H](c3ccccc3)C2)ccc1[O-] ZINC000280810229 379796239 /nfs/dbraw/zinc/79/62/39/379796239.db2.gz ZFZKDQGDTINALS-WKILWMFISA-N -1 3 281.355 3.377 20 0 CGADHM CCc1ccc(F)cc1C(=O)N=c1[nH][n-]c(C(C)C)c1C ZINC000640474155 379807208 /nfs/dbraw/zinc/80/72/08/379807208.db2.gz PQIUXTSSTWWTHR-UHFFFAOYSA-N -1 3 289.354 3.217 20 0 CGADHM CCn1c(=O)[n-]nc1SCC1CCCCCC1 ZINC000352322507 379764594 /nfs/dbraw/zinc/76/45/94/379764594.db2.gz OLYOUABUAXVJSX-UHFFFAOYSA-N -1 3 255.387 3.066 20 0 CGADHM Cc1cc(C(F)F)oc1C(=O)[N-]c1conc1C ZINC000640481874 379808293 /nfs/dbraw/zinc/80/82/93/379808293.db2.gz ZVQPYBOZYZLQGV-UHFFFAOYSA-N -1 3 256.208 3.074 20 0 CGADHM CC[C@H]1CCCCN1CCNCc1c(F)ccc([O-])c1F ZINC000352490776 379836667 /nfs/dbraw/zinc/83/66/67/379836667.db2.gz LDIXGMNTCJIINS-LBPRGKRZSA-N -1 3 298.377 3.025 20 0 CGADHM CC(C)[C@H](CC(=O)NCc1ncccc1[O-])c1ccccc1 ZINC000352509338 379839452 /nfs/dbraw/zinc/83/94/52/379839452.db2.gz PCHMLTQGJNQQBL-HNNXBMFYSA-N -1 3 298.386 3.233 20 0 CGADHM O=C(NCc1ncccc1[O-])c1ccc(Cl)c(Cl)c1 ZINC000352506943 379839611 /nfs/dbraw/zinc/83/96/11/379839611.db2.gz ISDLPDVKEIFKKB-UHFFFAOYSA-N -1 3 297.141 3.024 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)[C@@H]2CC=CCC2)c1-c1cccc(F)c1 ZINC000640946372 379883689 /nfs/dbraw/zinc/88/36/89/379883689.db2.gz XCVIIFBSXDRWQB-GFCCVEGCSA-N -1 3 299.349 3.241 20 0 CGADHM C[C@@H](C1CCCCC1)N(C)C(=O)c1ccccc1[O-] ZINC000282323540 379899450 /nfs/dbraw/zinc/89/94/50/379899450.db2.gz ABZOVCLVEJSZNU-LBPRGKRZSA-N -1 3 261.365 3.433 20 0 CGADHM CC[C@H](CNC(=O)c1ccccc1[O-])CC(F)(F)F ZINC000402498734 379966271 /nfs/dbraw/zinc/96/62/71/379966271.db2.gz ZMJCTAIJGVDKKO-VIFPVBQESA-N -1 3 275.270 3.101 20 0 CGADHM C[C@H]1CCC[C@H]1CC(=O)Nc1ccc([O-])cc1F ZINC000347864241 218382259 /nfs/dbraw/zinc/38/22/59/218382259.db2.gz FXABGYHBKFPJNF-UWVGGRQHSA-N -1 3 251.301 3.296 20 0 CGADHM CC(=O)c1ccc(C(=O)N2C[C@@H](C)CCC[C@@H]2C)cc1[O-] ZINC000408468871 380014311 /nfs/dbraw/zinc/01/43/11/380014311.db2.gz RQCPSRIIQAMXFT-RYUDHWBXSA-N -1 3 289.375 3.246 20 0 CGADHM CSCC(C)(C)c1nc(-c2ccc([O-])cc2)no1 ZINC000283766424 380087525 /nfs/dbraw/zinc/08/75/25/380087525.db2.gz IPNDBVGRSVLIFD-UHFFFAOYSA-N -1 3 264.350 3.083 20 0 CGADHM CC[C@H]1CC[C@@H](c2nc(-c3ccc([O-])cc3)no2)O1 ZINC000268082471 190375182 /nfs/dbraw/zinc/37/51/82/190375182.db2.gz PSCYYZHYXXFDDD-RYUDHWBXSA-N -1 3 260.293 3.072 20 0 CGADHM CC(C)(O)c1nnc([N-]Cc2ccc(-c3ccccc3)o2)o1 ZINC000284009892 380114715 /nfs/dbraw/zinc/11/47/15/380114715.db2.gz QQBUIANSZMLHNJ-UHFFFAOYSA-N -1 3 299.330 3.169 20 0 CGADHM Cc1occc1C(=O)Nc1ccc(Br)cc1[O-] ZINC000642323491 380163354 /nfs/dbraw/zinc/16/33/54/380163354.db2.gz DCWPHBQMKSWBEE-UHFFFAOYSA-N -1 3 296.120 3.308 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)Sc2ncccc2Cl)n1 ZINC000268306817 190394472 /nfs/dbraw/zinc/39/44/72/190394472.db2.gz GDMOZTJHEFFYJD-MRVPVSSYSA-N -1 3 281.768 3.392 20 0 CGADHM CC(C)C[C@H](N)c1noc(-c2cc(Cl)ccc2[O-])n1 ZINC000414612750 380335916 /nfs/dbraw/zinc/33/59/16/380335916.db2.gz DZGADSKNIUCCFG-JTQLQIEISA-N -1 3 281.743 3.142 20 0 CGADHM CCc1cc(OC)ccc1CNCc1ccc(C(=O)[O-])cc1 ZINC000414673302 380365493 /nfs/dbraw/zinc/36/54/93/380365493.db2.gz DATBJCLQQCGYRC-UHFFFAOYSA-N -1 3 299.370 3.246 20 0 CGADHM CN(CCC(=O)[O-])Cc1ccc(-c2cccc(F)c2F)o1 ZINC000414688269 380374618 /nfs/dbraw/zinc/37/46/18/380374618.db2.gz YEMDFGJITFQXAN-UHFFFAOYSA-N -1 3 295.285 3.131 20 0 CGADHM Cc1cc(-c2nc(-c3ccc4n[n-]nc4c3)no2)cs1 ZINC000643894957 380391890 /nfs/dbraw/zinc/39/18/90/380391890.db2.gz PNCZJAXMTYTOEJ-UHFFFAOYSA-N -1 3 283.316 3.045 20 0 CGADHM Cc1cc(C(=O)NCc2cnc3ccccc3c2)ccc1[O-] ZINC000354362337 380413287 /nfs/dbraw/zinc/41/32/87/380413287.db2.gz VVBCECVZCKNMJQ-UHFFFAOYSA-N -1 3 292.338 3.179 20 0 CGADHM O=c1cc(CNc2ccc(F)cc2Cl)nc(C2CC2)[n-]1 ZINC000416999103 380558913 /nfs/dbraw/zinc/55/89/13/380558913.db2.gz XQNIHHRKWYPTKK-UHFFFAOYSA-N -1 3 293.729 3.464 20 0 CGADHM CCCc1csc(CNC[C@@H](CC(=O)[O-])C(C)(C)C)n1 ZINC000417557299 380638819 /nfs/dbraw/zinc/63/88/19/380638819.db2.gz RFGMENMGSVCBMO-LLVKDONJSA-N -1 3 298.452 3.322 20 0 CGADHM CCC[C@@H](C)C[C@@H](NCc1cc(OC)ccc1F)C(=O)[O-] ZINC000417563727 380639402 /nfs/dbraw/zinc/63/94/02/380639402.db2.gz NUTZZIQTFJAGGF-IAQYHMDHSA-N -1 3 297.370 3.203 20 0 CGADHM CC(C)CC[C@](C)(O)CNCc1cccc([O-])c1Cl ZINC000645156708 380598314 /nfs/dbraw/zinc/59/83/14/380598314.db2.gz HMXFCMUMHVLVIA-HNNXBMFYSA-N -1 3 285.815 3.322 20 0 CGADHM Cc1ccoc1CNCCC1(CC(=O)[O-])CCCCC1 ZINC000417655202 380662258 /nfs/dbraw/zinc/66/22/58/380662258.db2.gz VGJLXZFCHLWZIL-UHFFFAOYSA-N -1 3 279.380 3.493 20 0 CGADHM CC(C)c1cnc(CN[C@@H]2CCCC[C@@H]2CC(=O)[O-])s1 ZINC000417665213 380663401 /nfs/dbraw/zinc/66/34/01/380663401.db2.gz BUNRFTKLSYOTOY-VXGBXAGGSA-N -1 3 296.436 3.390 20 0 CGADHM COc1ccc(CN[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc1 ZINC000417613099 380649873 /nfs/dbraw/zinc/64/98/73/380649873.db2.gz CLOVXDFFPFPKLR-IAGOWNOFSA-N -1 3 297.354 3.098 20 0 CGADHM O=C([O-])[C@@H]1C[C@H](NCc2cccs2)c2ccccc21 ZINC000417611080 380649910 /nfs/dbraw/zinc/64/99/10/380649910.db2.gz AIAWYASDFCWIOA-KGLIPLIRSA-N -1 3 273.357 3.151 20 0 CGADHM CCc1cccc(Cl)c1CN[C@@H]1C=C[C@@H](C(=O)[O-])C1 ZINC000417612165 380649977 /nfs/dbraw/zinc/64/99/77/380649977.db2.gz BPVSUQHHVXMVSL-VXGBXAGGSA-N -1 3 279.767 3.021 20 0 CGADHM CCc1oc2ccccc2c1CN[C@@H]1C=C[C@H](C(=O)[O-])C1 ZINC000417616384 380653347 /nfs/dbraw/zinc/65/33/47/380653347.db2.gz HKIYLNFNGVYYEZ-NWDGAFQWSA-N -1 3 285.343 3.114 20 0 CGADHM Cc1ccc(CNC[C@H](CC(=O)[O-])C(F)(F)F)cc1C ZINC000417619685 380655387 /nfs/dbraw/zinc/65/53/87/380655387.db2.gz FKRJDSVHWDTNDD-LBPRGKRZSA-N -1 3 289.297 3.046 20 0 CGADHM Cc1cccc(CN[C@H]2C[C@H](C(=O)[O-])c3ccccc32)c1 ZINC000417632282 380658173 /nfs/dbraw/zinc/65/81/73/380658173.db2.gz ZRNCSXPBSXMWLP-IRXDYDNUSA-N -1 3 281.355 3.398 20 0 CGADHM [O-]c1ccc(F)c(CN2CCc3ccccc3CC2)c1F ZINC000646087582 380825665 /nfs/dbraw/zinc/82/56/65/380825665.db2.gz JYPTXTBCHARVEF-UHFFFAOYSA-N -1 3 289.325 3.271 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-]Cc2cccc(C(C)C)c2)o1 ZINC000356716119 380832913 /nfs/dbraw/zinc/83/29/13/380832913.db2.gz SSCUMBRFIAGZES-UHFFFAOYSA-N -1 3 293.388 3.190 20 0 CGADHM CCOC(=O)c1ccc(NC(=O)C2(C)CCCC2)c([O-])c1 ZINC000356772398 380861940 /nfs/dbraw/zinc/86/19/40/380861940.db2.gz AQYMHSJNCCHNPZ-UHFFFAOYSA-N -1 3 291.347 3.088 20 0 CGADHM CC(F)(F)C(=O)[N-][C@H]1CCc2c1cccc2Cl ZINC000288559813 197111523 /nfs/dbraw/zinc/11/15/23/197111523.db2.gz MGHMQFXRZGVFPZ-JTQLQIEISA-N -1 3 259.683 3.099 20 0 CGADHM CCc1cc(=O)[n-]c(CSCc2cccc(F)c2F)n1 ZINC000357354894 381122333 /nfs/dbraw/zinc/12/23/33/381122333.db2.gz ZRLNQQLMHINASM-UHFFFAOYSA-N -1 3 296.342 3.456 20 0 CGADHM Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1cccc([O-])c1 ZINC000357331427 381109778 /nfs/dbraw/zinc/10/97/78/381109778.db2.gz DKTFZOCFVLGPQU-INIZCTEOSA-N -1 3 267.328 3.118 20 0 CGADHM CCC[C@@H]1[C@H](C)CCCN1C(=O)c1cccc([O-])c1 ZINC000357370971 381131869 /nfs/dbraw/zinc/13/18/69/381131869.db2.gz KIWXOEHBURPBQK-IUODEOHRSA-N -1 3 261.365 3.433 20 0 CGADHM O=C([O-])CC[C@H]1CCCN(C/C=C\c2ccccc2)C1 ZINC000218458251 542286410 /nfs/dbraw/zinc/28/64/10/542286410.db2.gz IJWHPTZCEZNAFP-LWAXHKBTSA-N -1 3 273.376 3.277 20 0 CGADHM C[C@@H](CC(=O)[O-])NCc1cc(C(F)(F)F)ccc1Cl ZINC000362345387 381949699 /nfs/dbraw/zinc/94/96/99/381949699.db2.gz FWGZRNREMMCFBU-ZETCQYMHSA-N -1 3 295.688 3.312 20 0 CGADHM CCc1ccc(-c2ccc(CN[C@@H](C)CC(=O)[O-])o2)cc1 ZINC000362347622 381950866 /nfs/dbraw/zinc/95/08/66/381950866.db2.gz XUIYQAFLNIBUKN-LBPRGKRZSA-N -1 3 287.359 3.462 20 0 CGADHM C[C@@H]1C[C@H](C)N1C(=O)c1cc([O-])ccc1C(F)(F)F ZINC000334947697 207340273 /nfs/dbraw/zinc/34/02/73/207340273.db2.gz NGNJUFSBGCDHMB-OCAPTIKFSA-N -1 3 273.254 3.034 20 0 CGADHM CCc1cc(C(=O)N(CC(F)F)CC2CCC2)ccc1[O-] ZINC000362990045 382174245 /nfs/dbraw/zinc/17/42/45/382174245.db2.gz MHIQJFZZVBWLMI-UHFFFAOYSA-N -1 3 297.345 3.462 20 0 CGADHM C[C@@H]1C[C@@H](C(=O)Nc2ccc(C(C)(C)C)cc2[O-])CCO1 ZINC000334963186 207373708 /nfs/dbraw/zinc/37/37/08/207373708.db2.gz NUOBYWQZQRZMMI-NEPJUHHUSA-N -1 3 291.391 3.443 20 0 CGADHM CCc1cc(C(=O)N2CCc3ccc(F)cc3C2)ccc1[O-] ZINC000362905583 382143149 /nfs/dbraw/zinc/14/31/49/382143149.db2.gz SNCBODWHIMEUNZ-UHFFFAOYSA-N -1 3 299.345 3.292 20 0 CGADHM CCCc1nnc([N-]C(=O)c2ncsc2C(C)C)s1 ZINC000289727109 197461066 /nfs/dbraw/zinc/46/10/66/197461066.db2.gz JVJCRXBGAPJQJG-UHFFFAOYSA-N -1 3 296.421 3.323 20 0 CGADHM CSc1cccc(F)c1CNC(=O)c1ccccc1[O-] ZINC000436827065 533015679 /nfs/dbraw/zinc/01/56/79/533015679.db2.gz MOKKSINFRKKFPI-UHFFFAOYSA-N -1 3 291.347 3.183 20 0 CGADHM CC1CCC(OCC(=O)Nc2cc(F)ccc2[O-])CC1 ZINC000281135592 195118785 /nfs/dbraw/zinc/11/87/85/195118785.db2.gz JBTAAJCOGUOYIB-UHFFFAOYSA-N -1 3 281.327 3.065 20 0 CGADHM COCC(C)(C)CC(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000413715917 533069573 /nfs/dbraw/zinc/06/95/73/533069573.db2.gz SDYNKGHPBFPMFH-LBPRGKRZSA-N -1 3 291.391 3.295 20 0 CGADHM O=C(NCCCOCC1CC1)c1cc([O-])c2ccccc2c1 ZINC000279462471 542379123 /nfs/dbraw/zinc/37/91/23/542379123.db2.gz CUPVPUCTQBJUGF-UHFFFAOYSA-N -1 3 299.370 3.092 20 0 CGADHM C[C@H]1CN(C(=O)c2cc([O-])c3ccccc3c2)CC(C)(C)O1 ZINC000279641078 542379953 /nfs/dbraw/zinc/37/99/53/542379953.db2.gz WQFKMPJOAFHYNA-LBPRGKRZSA-N -1 3 299.370 3.185 20 0 CGADHM C[C@@H]1CN(C(=O)c2cc([O-])c3ccccc3c2)CCS1 ZINC000280851302 542382526 /nfs/dbraw/zinc/38/25/26/542382526.db2.gz KFEAEBUJWKPPCG-LLVKDONJSA-N -1 3 287.384 3.123 20 0 CGADHM CCOC(C)(C)CNC(=O)c1cc([O-])c2ccccc2c1 ZINC000281379607 542383782 /nfs/dbraw/zinc/38/37/82/542383782.db2.gz ZQNGHUBISMVMNN-UHFFFAOYSA-N -1 3 287.359 3.090 20 0 CGADHM O=C(NC[C@H]1CCSC1)c1cc([O-])c2ccccc2c1 ZINC000281329075 542383884 /nfs/dbraw/zinc/38/38/84/542383884.db2.gz VZPRBOIXXKBPQA-LLVKDONJSA-N -1 3 287.384 3.028 20 0 CGADHM CC[C@H]1CN(C(=O)c2cc([O-])c3ccccc3c2)CCCO1 ZINC000281816459 542384559 /nfs/dbraw/zinc/38/45/59/542384559.db2.gz XDQDYIGKPMXDQF-HNNXBMFYSA-N -1 3 299.370 3.187 20 0 CGADHM CC1=CCN(Cc2cc([O-])ccc2Br)CC1 ZINC000353885949 220387182 /nfs/dbraw/zinc/38/71/82/220387182.db2.gz UZMGHOKXSDIAIJ-UHFFFAOYSA-N -1 3 282.181 3.307 20 0 CGADHM CC(C)CSCCN=c1[n-]c(C(F)(F)F)cs1 ZINC000533709408 288392136 /nfs/dbraw/zinc/39/21/36/288392136.db2.gz SLKYKKZWAOMHOK-UHFFFAOYSA-N -1 3 284.372 3.385 20 0 CGADHM O=C(NCc1ccccc1)c1cc([O-])c2ccccc2c1 ZINC000349266781 542524930 /nfs/dbraw/zinc/52/49/30/542524930.db2.gz LSDARGSYFAZAFU-UHFFFAOYSA-N -1 3 277.323 3.475 20 0 CGADHM Cc1ccc(/C=C/C(=O)Nc2cc(F)ccc2[O-])o1 ZINC000179645816 260060721 /nfs/dbraw/zinc/06/07/21/260060721.db2.gz YYBKJKDPBVTKIU-FNORWQNLSA-N -1 3 261.252 3.085 20 0 CGADHM [O-]c1ccc(-c2nc(-c3cccc(F)c3)no2)cc1 ZINC000045894288 285382684 /nfs/dbraw/zinc/38/26/84/285382684.db2.gz DBYJNJITANYZSZ-UHFFFAOYSA-N -1 3 256.236 3.248 20 0 CGADHM O=c1[n-]c(-c2ccccn2)nc2ccc(Cl)cc21 ZINC000077256881 285399383 /nfs/dbraw/zinc/39/93/83/285399383.db2.gz FSHGHYLRFITAOH-UHFFFAOYSA-N -1 3 257.680 3.051 20 0 CGADHM COc1ccc(C(=O)N(C)[C@H]2CCC(C)(C)C2)c([O-])c1 ZINC000436915097 533285779 /nfs/dbraw/zinc/28/57/79/533285779.db2.gz OTZYCAVGYCFRDY-NSHDSACASA-N -1 3 277.364 3.052 20 0 CGADHM CO[C@](C)(c1noc(-c2ccc(C)cc2[O-])n1)C1CC1 ZINC000436956140 533357748 /nfs/dbraw/zinc/35/77/48/533357748.db2.gz OYLATWPBMBWOGI-HNNXBMFYSA-N -1 3 274.320 3.022 20 0 CGADHM COc1cccc(C(=O)N[C@@H]2c3ccccc3C[C@@H]2C)c1[O-] ZINC000436836355 533415063 /nfs/dbraw/zinc/41/50/63/533415063.db2.gz DBJYGVFAGIRXHR-ZBEGNZNMSA-N -1 3 297.354 3.064 20 0 CGADHM C/C=C(\CC)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000190726638 533438044 /nfs/dbraw/zinc/43/80/44/533438044.db2.gz WZQIRZGTRUVKIQ-XCVCLJGOSA-N -1 3 298.180 3.127 20 0 CGADHM Cc1ccc(C(=O)N[C@H]2CC[C@H](C)CC2)c([O-])c1C ZINC000436613398 533599555 /nfs/dbraw/zinc/59/95/55/533599555.db2.gz UTFYYBDPVQGLGE-MJHDQNEOSA-N -1 3 261.365 3.318 20 0 CGADHM Cc1ccc(C(=O)Nc2ccccc2-c2cn[nH]c2)c([O-])c1 ZINC000439747020 533617204 /nfs/dbraw/zinc/61/72/04/533617204.db2.gz SMIALSPJBBJWIG-UHFFFAOYSA-N -1 3 293.326 3.343 20 0 CGADHM Cc1ccc(-c2ncccc2[N-]S(=O)(=O)C2CC2)s1 ZINC000189747328 130019104 /nfs/dbraw/zinc/01/91/04/130019104.db2.gz RJFZUUPMMLSPGJ-UHFFFAOYSA-N -1 3 294.401 3.023 20 0 CGADHM Cc1ccc(CN2C[C@H](C(=O)[O-])C[C@H](C)C2)c(Cl)c1 ZINC000399073891 542620355 /nfs/dbraw/zinc/62/03/55/542620355.db2.gz RDPQEMIXFPRZMV-WCQYABFASA-N -1 3 281.783 3.191 20 0 CGADHM Cc1nc(NC(=O)c2ccc(C)c(C)c2[O-])sc1C ZINC000048520116 392003708 /nfs/dbraw/zinc/00/37/08/392003708.db2.gz SKASOYNWNQAAFR-UHFFFAOYSA-N -1 3 276.361 3.335 20 0 CGADHM O=C([O-])c1ccc(CNCc2ccc(F)c(Cl)c2)cc1 ZINC000053157381 392082108 /nfs/dbraw/zinc/08/21/08/392082108.db2.gz ZZVCTWJFXDAKKG-UHFFFAOYSA-N -1 3 293.725 3.467 20 0 CGADHM Cc1oc(CN(C)CC2CCCCC2)cc1C(=O)[O-] ZINC000049012611 392031400 /nfs/dbraw/zinc/03/14/00/392031400.db2.gz MXEJVHPZCREVRY-UHFFFAOYSA-N -1 3 265.353 3.298 20 0 CGADHM C[C@@H]1CCC[C@@H](NC(=O)c2c[n-]c3ccccc3c2=O)[C@@H]1C ZINC000068012634 392162570 /nfs/dbraw/zinc/16/25/70/392162570.db2.gz PXCMVLFTMYGTKR-LALPHHSUSA-N -1 3 298.386 3.083 20 0 CGADHM COc1cccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2C)c1[O-] ZINC000055482080 392099043 /nfs/dbraw/zinc/09/90/43/392099043.db2.gz WOVYZPXFDDEBEG-WCQYABFASA-N -1 3 277.364 3.052 20 0 CGADHM C[C@H](CCNC(=O)c1ccccc1[O-])c1ccccc1 ZINC000060393994 392120953 /nfs/dbraw/zinc/12/09/53/392120953.db2.gz GBDRNHGZGXIJRG-CYBMUJFWSA-N -1 3 269.344 3.316 20 0 CGADHM Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccn2)c([O-])c1 ZINC000436568700 542658433 /nfs/dbraw/zinc/65/84/33/542658433.db2.gz VTIUASFJQSZLSL-UHFFFAOYSA-N -1 3 296.248 3.367 20 0 CGADHM COc1ccc(NC(=O)C[C@H]2CCC[C@@H]2C)c([O-])c1 ZINC000443560072 542666410 /nfs/dbraw/zinc/66/64/10/542666410.db2.gz OTHQCAVUOUOQRP-WDEREUQCSA-N -1 3 263.337 3.166 20 0 CGADHM COc1ccc(NC(=O)c2ccc3ccccc3n2)c([O-])c1 ZINC000443557798 542666431 /nfs/dbraw/zinc/66/64/31/542666431.db2.gz JWTMZMSDYHVENF-UHFFFAOYSA-N -1 3 294.310 3.201 20 0 CGADHM CCC[C@H](C)CC(=O)Nc1ccc(OC)cc1[O-] ZINC000443557309 542666978 /nfs/dbraw/zinc/66/69/78/542666978.db2.gz IXAPLTJXWCFRHE-JTQLQIEISA-N -1 3 251.326 3.166 20 0 CGADHM COc1ccc(NC(=O)C[C@@H]2CC[C@H](C)C2)c([O-])c1 ZINC000443559269 542667096 /nfs/dbraw/zinc/66/70/96/542667096.db2.gz NTBYSGVHPNTFOF-WDEREUQCSA-N -1 3 263.337 3.166 20 0 CGADHM COc1ccc(NC(=O)C2=CC[C@@H](C)CC2)c([O-])c1 ZINC000456031130 542687689 /nfs/dbraw/zinc/68/76/89/542687689.db2.gz SPUCOXRODCZGKO-SNVBAGLBSA-N -1 3 261.321 3.086 20 0 CGADHM O=C([O-])C1CCN(CCSc2ccc(Cl)cc2)CC1 ZINC000262667454 131249099 /nfs/dbraw/zinc/24/90/99/131249099.db2.gz QDCOOPKCWKJPLC-UHFFFAOYSA-N -1 3 299.823 3.229 20 0 CGADHM O=C([O-])[C@H]1CCN(Cc2ccccc2Oc2ccccc2)C1 ZINC000263577496 131299199 /nfs/dbraw/zinc/29/91/99/131299199.db2.gz RMXMEUPMMZVTQL-HNNXBMFYSA-N -1 3 297.354 3.385 20 0 CGADHM CO[C@@H]([C@@H](C)NC(=O)c1cc([O-])c2ccccc2c1)C1CC1 ZINC000456542576 542688629 /nfs/dbraw/zinc/68/86/29/542688629.db2.gz DGFGBICHNNVSIJ-DIFFPNOSSA-N -1 3 299.370 3.089 20 0 CGADHM Cc1cc(C)c2c(=O)[n-]c(SCC[C@H](C)F)nc2n1 ZINC000505658676 392686295 /nfs/dbraw/zinc/68/62/95/392686295.db2.gz IMOGMBDKDGMAOF-QMMMGPOBSA-N -1 3 281.356 3.187 20 0 CGADHM C[C@H](C(=O)Nc1cc(Cl)ccc1[O-])C1CCC1 ZINC000457665175 392724772 /nfs/dbraw/zinc/72/47/72/392724772.db2.gz PRUMZWVPOAMNLD-QMMMGPOBSA-N -1 3 253.729 3.420 20 0 CGADHM Cc1cc(O)c(C(C)C)cc1NC(=O)[N-]c1cnns1 ZINC000192355306 392849372 /nfs/dbraw/zinc/84/93/72/392849372.db2.gz CHZXEHOIZWJYMG-UHFFFAOYSA-N -1 3 292.364 3.320 20 0 CGADHM CC1(C)CCN1C(=O)c1cc([O-])c2ccccc2c1 ZINC000525922939 542740593 /nfs/dbraw/zinc/74/05/93/542740593.db2.gz DYLABAHEZBHUOA-UHFFFAOYSA-N -1 3 255.317 3.170 20 0 CGADHM c1nn(Cc2ccccn2)cc1[N-]c1nc2ccccc2o1 ZINC000194977681 392948902 /nfs/dbraw/zinc/94/89/02/392948902.db2.gz SAFSOMCEVHDXTO-UHFFFAOYSA-N -1 3 291.314 3.211 20 0 CGADHM COc1ccc(NC(=O)CCc2cccc(C)c2)c([O-])c1 ZINC000527202105 542740984 /nfs/dbraw/zinc/74/09/84/542740984.db2.gz MGERWWAQGJJIMT-UHFFFAOYSA-N -1 3 285.343 3.281 20 0 CGADHM Cc1ccccc1C[C@@H](C)N(C)Cc1ccc(C(=O)[O-])o1 ZINC000516872680 542736171 /nfs/dbraw/zinc/73/61/71/542736171.db2.gz KRXDTTFNKCKELN-CYBMUJFWSA-N -1 3 287.359 3.349 20 0 CGADHM CCN(CC)[C@@H](C(=O)Nc1ccccc1[O-])c1ccccc1 ZINC000340100324 392966479 /nfs/dbraw/zinc/96/64/79/392966479.db2.gz BJSIYTLKFQGSOB-QGZVFWFLSA-N -1 3 298.386 3.414 20 0 CGADHM CCc1ccc([O-])c(C(=O)N(CC)CCC2CC2)c1 ZINC000546913256 393082288 /nfs/dbraw/zinc/08/22/88/393082288.db2.gz UYYASCAZQWCNMY-UHFFFAOYSA-N -1 3 261.365 3.217 20 0 CGADHM O=C([O-])c1ccc(CN2CCC(c3ccncc3)CC2)cc1 ZINC000263582546 393151835 /nfs/dbraw/zinc/15/18/35/393151835.db2.gz YUMOGHDGQWOGSL-UHFFFAOYSA-N -1 3 296.370 3.159 20 0 CGADHM C[C@H]1CCC[C@H]1CNCc1c(F)ccc([O-])c1F ZINC000353331094 393219221 /nfs/dbraw/zinc/21/92/21/393219221.db2.gz MWGQGQCNMSJBHT-UWVGGRQHSA-N -1 3 255.308 3.196 20 0 CGADHM C[C@@H]1CCN(C(=O)[C@H]2CCCS2)c2c([O-])cccc21 ZINC000274382292 393285894 /nfs/dbraw/zinc/28/58/94/393285894.db2.gz NGOLAWVXRUZQGY-ZWNOBZJWSA-N -1 3 277.389 3.128 20 0 CGADHM CC[C@@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)[C@@H]1CC1(C)C ZINC000416280373 393290612 /nfs/dbraw/zinc/29/06/12/393290612.db2.gz XWDSGTMPXYMHCS-QWHCGFSZSA-N -1 3 298.386 3.083 20 0 CGADHM Cc1ccc(NC(=O)c2cc([O-])cc(C(F)(F)F)c2)nc1 ZINC000646585012 393307034 /nfs/dbraw/zinc/30/70/34/393307034.db2.gz OSKRPHYQYGPECM-UHFFFAOYSA-N -1 3 296.248 3.367 20 0 CGADHM COC[C@@H]([N-]c1nnc(C2CC2)o1)c1ccc(F)c(F)c1 ZINC000278425279 393320854 /nfs/dbraw/zinc/32/08/54/393320854.db2.gz PAZPMPLCKQHZED-GFCCVEGCSA-N -1 3 295.289 3.025 20 0 CGADHM CC(C)(C)[C@@H]1CCCN(C(=O)Cc2cncc([O-])c2)CC1 ZINC000646822391 393325614 /nfs/dbraw/zinc/32/56/14/393325614.db2.gz ZJDYVHLGUWVINH-CQSZACIVSA-N -1 3 290.407 3.005 20 0 CGADHM CO[C@@H](CC(C)C)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000416179688 393276635 /nfs/dbraw/zinc/27/66/35/393276635.db2.gz NGRIASBXVGVAEV-LBPRGKRZSA-N -1 3 271.744 3.045 20 0 CGADHM Cc1nc(CC2CC2)oc1C(=O)Nc1ccc([O-])cc1F ZINC000356213357 393383499 /nfs/dbraw/zinc/38/34/99/393383499.db2.gz HVGAZLGGYLCUIB-UHFFFAOYSA-N -1 3 290.294 3.033 20 0 CGADHM CC(C)(C)c1nc(CN[C@@H]2CCC[C@]2(C)C(=O)[O-])cs1 ZINC000426752554 393451012 /nfs/dbraw/zinc/45/10/12/393451012.db2.gz DAAULUIWLRBAMC-ABAIWWIYSA-N -1 3 296.436 3.174 20 0 CGADHM CC[C@H](C(=O)[O-])N1CCC[C@@H]1c1ccc(C)s1 ZINC000358350697 393523999 /nfs/dbraw/zinc/52/39/99/393523999.db2.gz DXQVDPOZWGFPJC-GHMZBOCLSA-N -1 3 253.367 3.057 20 0 CGADHM C[C@H]1CN(Cc2cc([O-])cc(F)c2)Cc2ccccc2O1 ZINC000430141082 393528434 /nfs/dbraw/zinc/52/84/34/393528434.db2.gz WJGQYBJJMOBSDT-LBPRGKRZSA-N -1 3 287.334 3.314 20 0 CGADHM CS[C@@H](C)CCC(=O)Nc1ccc([O-])cc1F ZINC000360851598 393599202 /nfs/dbraw/zinc/59/92/02/393599202.db2.gz OPSCIJYYYZPHCO-QMMMGPOBSA-N -1 3 257.330 3.002 20 0 CGADHM CN(CCCC(=O)[O-])Cc1c(Cl)ccc2cccnc21 ZINC000430672344 393585226 /nfs/dbraw/zinc/58/52/26/393585226.db2.gz SXXQIMLISVLQOW-UHFFFAOYSA-N -1 3 292.766 3.185 20 0 CGADHM Cc1cccc2c(=O)c(C(=O)N(C)[C@H]3CC[C@@H](C)C3)c[n-]c12 ZINC000430696651 393587536 /nfs/dbraw/zinc/58/75/36/393587536.db2.gz JXFTXANANQZAMU-YPMHNXCESA-N -1 3 298.386 3.097 20 0 CGADHM Cc1ccc(C(=O)N2CC[C@H]2c2ccccc2)c([O-])c1 ZINC000436530292 393717596 /nfs/dbraw/zinc/71/75/96/393717596.db2.gz QFMGDNAHGSHQKP-HNNXBMFYSA-N -1 3 267.328 3.288 20 0 CGADHM CC[C@@H]1[C@H](C)CCN1C(=O)c1ccc(C)c(C)c1[O-] ZINC000436957928 393718207 /nfs/dbraw/zinc/71/82/07/393718207.db2.gz YGNPGHMSXTVXJK-BXUZGUMPSA-N -1 3 261.365 3.270 20 0 CGADHM Cc1ccc(/C=C\C(=O)Nc2cc(Cl)ccc2[O-])cn1 ZINC000492389242 393727471 /nfs/dbraw/zinc/72/74/71/393727471.db2.gz FVBNHASYGDAUII-DAXSKMNVSA-N -1 3 288.734 3.401 20 0 CGADHM CCCCS[C@H](C)C(=O)Nc1ccc(OC)cc1[O-] ZINC000443570586 393764278 /nfs/dbraw/zinc/76/42/78/393764278.db2.gz DGWNCIYIZCYPTK-SNVBAGLBSA-N -1 3 283.393 3.261 20 0 CGADHM Cc1cc(C(=O)N2CCc3c2c(F)ccc3F)ccc1[O-] ZINC000498917527 393787672 /nfs/dbraw/zinc/78/76/72/393787672.db2.gz NPKZYNOBKNZTSZ-UHFFFAOYSA-N -1 3 289.281 3.182 20 0 CGADHM CC(C)c1ccc(-c2nc([C@@H]3CCCOC3)no2)c([O-])c1 ZINC000445532586 393804919 /nfs/dbraw/zinc/80/49/19/393804919.db2.gz NMYFSETWWMHTCX-GFCCVEGCSA-N -1 3 288.347 3.460 20 0 CGADHM Cc1cc(C(=O)NC2(c3ccccc3F)CC2)ccc1[O-] ZINC000499878737 393809700 /nfs/dbraw/zinc/80/97/00/393809700.db2.gz RKCLOLNHBQFGQO-UHFFFAOYSA-N -1 3 285.318 3.259 20 0 CGADHM CCC(C)(CC)[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000500106406 393817448 /nfs/dbraw/zinc/81/74/48/393817448.db2.gz PBXGYHPDZJMGIL-UHFFFAOYSA-N -1 3 293.791 3.336 20 0 CGADHM CC[C@@H](C)C[C@H](C)NC(=O)Cc1ccc([O-])c(F)c1 ZINC000449967634 393952470 /nfs/dbraw/zinc/95/24/70/393952470.db2.gz LUPHCOQUYKLNSM-MNOVXSKESA-N -1 3 267.344 3.015 20 0 CGADHM CC(C)C1CCC(NC(=O)Cc2ccc([O-])c(F)c2)CC1 ZINC000450142844 393984935 /nfs/dbraw/zinc/98/49/35/393984935.db2.gz WMZJRQSMBLXFPH-UHFFFAOYSA-N -1 3 293.382 3.405 20 0 CGADHM CC[C@@H]1C[C@H]1C(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000450936680 394039341 /nfs/dbraw/zinc/03/93/41/394039341.db2.gz NAQBENODBUPZGN-NQBHXWOUSA-N -1 3 259.349 3.279 20 0 CGADHM Cc1ccc(C(=O)NC[C@@H]2CCCC2(F)F)c([O-])c1C ZINC000452835925 394127515 /nfs/dbraw/zinc/12/75/15/394127515.db2.gz HICLBOVHTUNHAM-NSHDSACASA-N -1 3 283.318 3.174 20 0 CGADHM COC[C@H]1CCCCN1C(=O)c1ccc(C(C)C)cc1[O-] ZINC000456976304 394304090 /nfs/dbraw/zinc/30/40/90/394304090.db2.gz YVBNWQVFNMLOTG-CQSZACIVSA-N -1 3 291.391 3.157 20 0 CGADHM COc1cc(C(=O)N2CC[C@@H](CC(C)(C)C)C2)ccc1[O-] ZINC000457005394 394309395 /nfs/dbraw/zinc/30/93/95/394309395.db2.gz CLPFURMXZDEIRV-LBPRGKRZSA-N -1 3 291.391 3.299 20 0 CGADHM C[C@@H](CC(C)(C)C)NC(=O)Cc1ccc([O-])c(F)c1 ZINC000457190150 394327154 /nfs/dbraw/zinc/32/71/54/394327154.db2.gz IOVOYAOTXCLGBZ-JTQLQIEISA-N -1 3 267.344 3.015 20 0 CGADHM Cc1ccc(C(=O)N2CC(C(C)(C)C)C2)c([O-])c1C ZINC000457347027 394348325 /nfs/dbraw/zinc/34/83/25/394348325.db2.gz VURDVYONXNEFSG-UHFFFAOYSA-N -1 3 261.365 3.127 20 0 CGADHM Cc1cccc(F)c1S(=O)(=O)[N-][C@@H](C)c1ccsc1 ZINC000669844418 543127097 /nfs/dbraw/zinc/12/70/97/543127097.db2.gz JKRWLAHVCOPIEQ-JTQLQIEISA-N -1 3 299.392 3.235 20 0 CGADHM Cc1nnc([N-]C(=O)c2ccc(C(F)(F)F)s2)s1 ZINC000671664407 543175902 /nfs/dbraw/zinc/17/59/02/543175902.db2.gz VXPWUEZGNQIATG-UHFFFAOYSA-N -1 3 293.295 3.179 20 0 CGADHM CCc1cccc(C(=O)N2CCC3(CCC3)CC2)c1[O-] ZINC000672255014 543206619 /nfs/dbraw/zinc/20/66/19/543206619.db2.gz KWGBDRGGBLYLGA-UHFFFAOYSA-N -1 3 273.376 3.361 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2ccc3cnccc3c2)n1 ZINC000672776470 543227512 /nfs/dbraw/zinc/22/75/12/543227512.db2.gz IVXWZCNOHDHHCC-HYXAFXHYSA-N -1 3 263.300 3.209 20 0 CGADHM Cc1noc(C(F)F)c1C(=O)[N-]c1cc(F)ccc1F ZINC000673699011 543251406 /nfs/dbraw/zinc/25/14/06/543251406.db2.gz FTYGSYMECVMZMD-UHFFFAOYSA-N -1 3 288.200 3.451 20 0 CGADHM CCc1ncc(C(=O)[N-]c2cnccc2SC)s1 ZINC000674257326 543277536 /nfs/dbraw/zinc/27/75/36/543277536.db2.gz KYQGBGUZRAGHRI-UHFFFAOYSA-N -1 3 279.390 3.075 20 0 CGADHM CCc1c(C)sc2[n-]c(-c3ccc(C)o3)nc(=O)c12 ZINC000047681930 397634421 /nfs/dbraw/zinc/63/44/21/397634421.db2.gz CKWMFLMQDCYWIV-UHFFFAOYSA-N -1 3 274.345 3.424 20 0 CGADHM CCc1ncsc1[N-]C(=O)c1c(C)noc1C(F)F ZINC000676592150 543406784 /nfs/dbraw/zinc/40/67/84/543406784.db2.gz FHKYUYUNPIZJOU-UHFFFAOYSA-N -1 3 287.291 3.192 20 0 CGADHM O=C(CNc1cccc(Cl)c1)Nc1cc(F)ccc1[O-] ZINC000677589463 543456130 /nfs/dbraw/zinc/45/61/30/543456130.db2.gz MLJKBFJNIBLANM-UHFFFAOYSA-N -1 3 294.713 3.235 20 0 CGADHM Cc1cccc(C(=O)N2CCC(c3cccnc3)CC2)c1[O-] ZINC000678167677 543490663 /nfs/dbraw/zinc/49/06/63/543490663.db2.gz QHNGNEDMBUXGRB-UHFFFAOYSA-N -1 3 296.370 3.115 20 0 CGADHM Cc1ccc(C(=O)N2CCC[C@H]2c2ccc(O)cc2)c([O-])c1 ZINC000678317109 543514189 /nfs/dbraw/zinc/51/41/89/543514189.db2.gz SMRKARZRRDNHHC-INIZCTEOSA-N -1 3 297.354 3.384 20 0 CGADHM COc1cc(C(=O)N2[C@H](C)C[C@@H]3CCCC[C@H]32)ccc1[O-] ZINC000268070873 286200649 /nfs/dbraw/zinc/20/06/49/286200649.db2.gz JUIJADSFEVWBFP-MBNYWOFBSA-N -1 3 289.375 3.194 20 0 CGADHM Cc1cccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)c1 ZINC000047215481 286896736 /nfs/dbraw/zinc/89/67/36/286896736.db2.gz VVIQUAROSIBVDU-UHFFFAOYSA-N -1 3 275.373 3.413 20 0 CGADHM CC(C)c1ccc(C(=O)Nc2ccccc2O)c([O-])c1 ZINC000048517965 286907064 /nfs/dbraw/zinc/90/70/64/286907064.db2.gz RPRLITUEBXEUIR-UHFFFAOYSA-N -1 3 271.316 3.474 20 0 CGADHM CCSc1ccccc1C(=O)N=c1[nH][n-]c(CC)c1C ZINC000536506025 288483048 /nfs/dbraw/zinc/48/30/48/288483048.db2.gz SGZAYQADXVNZOB-UHFFFAOYSA-N -1 3 289.404 3.067 20 0 CGADHM Cc1cccc(C(=O)N(C)Cc2ccc(F)c(F)c2)c1[O-] ZINC000078887630 287052434 /nfs/dbraw/zinc/05/24/34/287052434.db2.gz KXKZQACKEYKRPL-UHFFFAOYSA-N -1 3 291.297 3.251 20 0 CGADHM O=C(Nc1ccc(Br)cc1[O-])c1ccccc1 ZINC000078751611 287051370 /nfs/dbraw/zinc/05/13/70/287051370.db2.gz ZDOZLDGBASNLJY-UHFFFAOYSA-N -1 3 292.132 3.407 20 0 CGADHM CC[C@@H]1CCCN1C(=O)c1cc([O-])ccc1Cl ZINC000233917692 287056743 /nfs/dbraw/zinc/05/67/43/287056743.db2.gz CVGLJAMDAPHYRW-SECBINFHSA-N -1 3 253.729 3.060 20 0 CGADHM Cc1ccc2nc(-c3cccc(F)c3)[n-]c(=O)c2c1 ZINC000080128411 287063588 /nfs/dbraw/zinc/06/35/88/287063588.db2.gz FHNKQLKSCXWFEB-UHFFFAOYSA-N -1 3 254.264 3.038 20 0 CGADHM O=C([N-]c1nnc(C2CC2)s1)c1scnc1C1CC1 ZINC000089660576 287092909 /nfs/dbraw/zinc/09/29/09/287092909.db2.gz GYIDTTHFQDQZDR-UHFFFAOYSA-N -1 3 292.389 3.002 20 0 CGADHM CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000074927794 165096530 /nfs/dbraw/zinc/09/65/30/165096530.db2.gz INUVOIKTPIWTEI-UHFFFAOYSA-N -1 3 291.372 3.275 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])c1scnc1C1CC1 ZINC000089847602 287095817 /nfs/dbraw/zinc/09/58/17/287095817.db2.gz OUQSXFRUSJEBDB-UHFFFAOYSA-N -1 3 278.308 3.118 20 0 CGADHM Cc1cccc(C)c1NCc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000090371220 165232605 /nfs/dbraw/zinc/23/26/05/165232605.db2.gz OEGMQCVPLFLWJG-UHFFFAOYSA-N -1 3 297.280 3.018 20 0 CGADHM O=C(CSc1ccccc1)Nc1ccc([O-])cc1F ZINC000092231160 165286546 /nfs/dbraw/zinc/28/65/46/165286546.db2.gz VDIMBVLAQVRTJG-UHFFFAOYSA-N -1 3 277.320 3.262 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CCC[C@@H]3CCC[C@@H]32)c1 ZINC000091682093 287109387 /nfs/dbraw/zinc/10/93/87/287109387.db2.gz RHCBTYIYWQEXMB-ZFWWWQNUSA-N -1 3 273.376 3.359 20 0 CGADHM Cc1cscc1CNC(=O)c1cc(C)ccc1[O-] ZINC000094879078 165395338 /nfs/dbraw/zinc/39/53/38/165395338.db2.gz KAYAXDISHUPLHY-UHFFFAOYSA-N -1 3 261.346 3.001 20 0 CGADHM CCc1ccc([O-])c(C(=O)NCc2ccccc2C)c1 ZINC000109815001 287130032 /nfs/dbraw/zinc/13/00/32/287130032.db2.gz HFZUFISSTKETEA-UHFFFAOYSA-N -1 3 269.344 3.193 20 0 CGADHM Cc1cccc(-c2nc(Cc3ccccc3F)no2)c1[O-] ZINC000111689114 287136676 /nfs/dbraw/zinc/13/66/76/287136676.db2.gz PNIDUIZTXMSGPP-UHFFFAOYSA-N -1 3 284.290 3.481 20 0 CGADHM CSc1ccc(NC(=O)c2cc(C)ccc2[O-])nc1 ZINC000116467235 287158023 /nfs/dbraw/zinc/15/80/23/287158023.db2.gz OLHPEJPCQUHFNV-UHFFFAOYSA-N -1 3 274.345 3.070 20 0 CGADHM CCN(CCc1ccccc1)C(=O)c1ccc(C)cc1[O-] ZINC000124410623 287233004 /nfs/dbraw/zinc/23/30/04/287233004.db2.gz MACWWESVKNJAIY-UHFFFAOYSA-N -1 3 283.371 3.405 20 0 CGADHM Cc1ccc(NC(=O)Cc2cccc(F)c2)c([O-])c1 ZINC000008378913 170334189 /nfs/dbraw/zinc/33/41/89/170334189.db2.gz LDZWFVZYDVMCMG-UHFFFAOYSA-N -1 3 259.280 3.021 20 0 CGADHM Cc1ccc(CN(C)C(=O)c2cc(C)ccc2[O-])cc1 ZINC000020264817 171121802 /nfs/dbraw/zinc/12/18/02/171121802.db2.gz XQGUHEHABIGPJP-UHFFFAOYSA-N -1 3 269.344 3.281 20 0 CGADHM CCN(Cc1ccccc1)C(=O)c1ccc(OC)cc1[O-] ZINC000020298630 171138275 /nfs/dbraw/zinc/13/82/75/171138275.db2.gz CUDFVVYXDKOBPT-UHFFFAOYSA-N -1 3 285.343 3.063 20 0 CGADHM CCCc1nnc([N-]C(=O)c2cc(F)ccc2F)s1 ZINC000022586107 171393273 /nfs/dbraw/zinc/39/32/73/171393273.db2.gz BMOIGTXOSNIZGC-UHFFFAOYSA-N -1 3 283.303 3.021 20 0 CGADHM COc1ccc(C(=O)N2CC[C@@H]3CCCC[C@H]3C2)c([O-])c1 ZINC000035175096 172028762 /nfs/dbraw/zinc/02/87/62/172028762.db2.gz JXYYNWVQMHTWQO-STQMWFEESA-N -1 3 289.375 3.053 20 0 CGADHM O=C([O-])[C@@H](c1cccc(Br)c1)N1CCCCC1 ZINC000037362078 173151676 /nfs/dbraw/zinc/15/16/76/173151676.db2.gz ZLIOYKHWPKOPEP-GFCCVEGCSA-N -1 3 298.180 3.061 20 0 CGADHM O=C([O-])C1CCN(CCOc2ccc3ccccc3c2)CC1 ZINC000041504933 174563253 /nfs/dbraw/zinc/56/32/53/174563253.db2.gz YKHPQBXDKXCKCR-UHFFFAOYSA-N -1 3 299.370 3.015 20 0 CGADHM O=C([O-])CC[C@H]1CCCN(Cc2ccc(Cl)s2)C1 ZINC000043585448 175071776 /nfs/dbraw/zinc/07/17/76/175071776.db2.gz ASSZPLPTGCVMAP-SNVBAGLBSA-N -1 3 287.812 3.478 20 0 CGADHM Cc1ccc(OCCC(=O)Nc2ccccc2[O-])cc1C ZINC000127951594 287299759 /nfs/dbraw/zinc/29/97/59/287299759.db2.gz JWTBVNDRACIYRQ-UHFFFAOYSA-N -1 3 285.343 3.417 20 0 CGADHM C[C@@H](Cc1cccc(F)c1)C(=O)Nc1cccc([O-])c1F ZINC000128393742 287309872 /nfs/dbraw/zinc/30/98/72/287309872.db2.gz MCNNBWHUSQWWBP-JTQLQIEISA-N -1 3 291.297 3.488 20 0 CGADHM O=C(Nc1cccc([O-])c1F)c1cc(F)ccc1F ZINC000128732137 287317234 /nfs/dbraw/zinc/31/72/34/287317234.db2.gz VOUYXRRTQDZEOB-UHFFFAOYSA-N -1 3 267.206 3.062 20 0 CGADHM O=C(Nc1cccc([O-])c1F)c1ccc(F)c(F)c1 ZINC000129015558 287322513 /nfs/dbraw/zinc/32/25/13/287322513.db2.gz OOLIOGHRQYEQJK-UHFFFAOYSA-N -1 3 267.206 3.062 20 0 CGADHM CC[C@@H]1CCC[C@@H](NC(=O)c2c[n-]c3ccccc3c2=O)C1 ZINC000077136076 177227007 /nfs/dbraw/zinc/22/70/07/177227007.db2.gz XICKKDXUUOQRQB-CHWSQXEVSA-N -1 3 298.386 3.227 20 0 CGADHM C[C@H]1CCN(Cc2ccccc2Cl)[C@H](C(=O)[O-])C1 ZINC000129382837 287330191 /nfs/dbraw/zinc/33/01/91/287330191.db2.gz OEMXLCCLNVHDST-GWCFXTLKSA-N -1 3 267.756 3.025 20 0 CGADHM O=C(Nc1cccc([O-])c1F)c1cc2c(s1)CCC2 ZINC000129455778 287332129 /nfs/dbraw/zinc/33/21/29/287332129.db2.gz LKWQFAMOPCLALM-UHFFFAOYSA-N -1 3 277.320 3.334 20 0 CGADHM Cc1cccc(C(=O)N[C@H](C)Cc2ccsc2)c1[O-] ZINC000048482172 416453974 /nfs/dbraw/zinc/45/39/74/416453974.db2.gz YEFBKGCMEQVREO-LLVKDONJSA-N -1 3 275.373 3.123 20 0 CGADHM CCCN(CCc1ccccn1)C(=O)c1cccc(C)c1[O-] ZINC000130152645 287346217 /nfs/dbraw/zinc/34/62/17/287346217.db2.gz SJLQXFKZZRCBAU-UHFFFAOYSA-N -1 3 298.386 3.191 20 0 CGADHM Cc1nc(C(=O)[N-]c2cnoc2)c(-c2ccccc2)s1 ZINC000679295348 543613707 /nfs/dbraw/zinc/61/37/07/543613707.db2.gz ITGUZYPTHJZOSK-UHFFFAOYSA-N -1 3 285.328 3.359 20 0 CGADHM Cc1cccc2c1CCCN2C(=O)c1cccc([O-])c1 ZINC000679636364 543652414 /nfs/dbraw/zinc/65/24/14/543652414.db2.gz NYEOSHXAARUUJQ-UHFFFAOYSA-N -1 3 267.328 3.294 20 0 CGADHM O=C(c1cccc([O-])c1)N1CCC[C@H]1c1ccc(O)cc1 ZINC000679638917 543653043 /nfs/dbraw/zinc/65/30/43/543653043.db2.gz XRWIWOKQRQSTJD-INIZCTEOSA-N -1 3 283.327 3.075 20 0 CGADHM CCc1cccc(-c2nc(-c3cccc(C)n3)no2)c1[O-] ZINC000680714004 543728351 /nfs/dbraw/zinc/72/83/51/543728351.db2.gz KNAQYXGBGAPZRL-UHFFFAOYSA-N -1 3 281.315 3.375 20 0 CGADHM Cc1cc(C(=O)Nc2cc(O)c(C)cc2C)ccc1[O-] ZINC000680822077 543736834 /nfs/dbraw/zinc/73/68/34/543736834.db2.gz OPOCNHVHIZGXLJ-UHFFFAOYSA-N -1 3 271.316 3.275 20 0 CGADHM C[C@@H]1CCC[C@@H](C)C1NC(=O)Cc1ccc([O-])c(F)c1 ZINC000449911450 287373797 /nfs/dbraw/zinc/37/37/97/287373797.db2.gz BFWOABPYBFDBAP-GHMZBOCLSA-N -1 3 279.355 3.015 20 0 CGADHM O=C([O-])c1cccc(CNCc2ccnc3ccccc23)c1 ZINC000683176513 543901702 /nfs/dbraw/zinc/90/17/02/543901702.db2.gz LFVFXBPDSYWICF-UHFFFAOYSA-N -1 3 292.338 3.223 20 0 CGADHM CCCCc1nnc([N-]C(=O)c2nc(C)c(C)s2)s1 ZINC000683536097 543921862 /nfs/dbraw/zinc/92/18/62/543921862.db2.gz VZWNMCADPUPXAL-UHFFFAOYSA-N -1 3 296.421 3.206 20 0 CGADHM CCCn1c(=O)[n-]nc1S[C@H]1CCc2ccccc21 ZINC000683737185 543936882 /nfs/dbraw/zinc/93/68/82/543936882.db2.gz IVPQMUDPANIVPX-LBPRGKRZSA-N -1 3 275.377 3.173 20 0 CGADHM CCc1cncc(C(=O)Nc2cc(Cl)ccc2[O-])c1 ZINC000684058399 543963328 /nfs/dbraw/zinc/96/33/28/543963328.db2.gz JMPJEUYJSLIXIS-UHFFFAOYSA-N -1 3 276.723 3.255 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCCc3sccc3C2)n1 ZINC000684090157 543966200 /nfs/dbraw/zinc/96/62/00/543966200.db2.gz BZWAGTGMVXFIOK-LLVKDONJSA-N -1 3 289.404 3.062 20 0 CGADHM COc1cccc([C@H]2C[C@@H](C)CN2Cc2ncccc2[O-])c1 ZINC000685427285 544068275 /nfs/dbraw/zinc/06/82/75/544068275.db2.gz LZAJJYXWNYSQQG-CXAGYDPISA-N -1 3 298.386 3.379 20 0 CGADHM O=C(NCCC1CCCCC1)c1c[n-]nc1-c1ccccn1 ZINC000685604099 544087910 /nfs/dbraw/zinc/08/79/10/544087910.db2.gz IQLOLTHGJAKJSE-UHFFFAOYSA-N -1 3 298.390 3.172 20 0 CGADHM CCc1noc(C)c1[N-]C(=O)c1ccc(SC)o1 ZINC000132573414 287406159 /nfs/dbraw/zinc/40/61/59/287406159.db2.gz JRPNAPPDZJYNGL-UHFFFAOYSA-N -1 3 266.322 3.113 20 0 CGADHM Cc1cccc(C(=O)Nc2cc(Cl)ccn2)c1[O-] ZINC000135651253 287473398 /nfs/dbraw/zinc/47/33/98/287473398.db2.gz VTWNOLKCJMUHSO-UHFFFAOYSA-N -1 3 262.696 3.001 20 0 CGADHM Cc1ncccc1CN(Cc1ccccc1)C[C@H](C)C(=O)[O-] ZINC000652456482 418969755 /nfs/dbraw/zinc/96/97/55/418969755.db2.gz KBRQKMAQGQCLKZ-AWEZNQCLSA-N -1 3 298.386 3.113 20 0 CGADHM Cc1ccc(CN(CCCCCC(=O)[O-])C2CC2)o1 ZINC000652387761 418960540 /nfs/dbraw/zinc/96/05/40/418960540.db2.gz SIBDDDSMGDXRID-UHFFFAOYSA-N -1 3 265.353 3.197 20 0 CGADHM CN(CCC(=O)[O-])Cc1ccc(-c2cccs2)cc1 ZINC000659791815 418992179 /nfs/dbraw/zinc/99/21/79/418992179.db2.gz JSLIMDYBOGRUTJ-UHFFFAOYSA-N -1 3 275.373 3.322 20 0 CGADHM O=C([O-])c1ccc2c(c1)CN(CC13CCC(CC1)C3)C2 ZINC000659791111 418992375 /nfs/dbraw/zinc/99/23/75/418992375.db2.gz QHZRECQYBUIITL-UHFFFAOYSA-N -1 3 271.360 3.281 20 0 CGADHM CCc1nc(C(C)C)ccc1CN(C)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000659801887 418995148 /nfs/dbraw/zinc/99/51/48/418995148.db2.gz LQHNMCWECCVCAU-OKILXGFUSA-N -1 3 290.407 3.062 20 0 CGADHM Cc1ccc(NC(=O)[C@H](C)Cc2ccco2)c([O-])c1 ZINC000665203167 419079834 /nfs/dbraw/zinc/07/98/34/419079834.db2.gz YYOIJWISDZAZCZ-LLVKDONJSA-N -1 3 259.305 3.111 20 0 CGADHM O=C([O-])[C@H]1C[C@H](NCc2csc(Cl)c2Cl)C1 ZINC000656568049 419184104 /nfs/dbraw/zinc/18/41/04/419184104.db2.gz QQHDLEULGCHTAU-KBTIHESUSA-N -1 3 280.176 3.008 20 0 CGADHM CC1(C)[C@H](CCC(=O)[O-])C[C@@H]1NCc1cc(F)ccc1F ZINC000656568684 419184163 /nfs/dbraw/zinc/18/41/63/419184163.db2.gz NFKCQQBMKGVSGV-RISCZKNCSA-N -1 3 297.345 3.334 20 0 CGADHM [O-]c1ccc(-c2noc([C@@H]3CCC[C@H]4C[C@H]43)n2)cc1 ZINC000656745636 419206972 /nfs/dbraw/zinc/20/69/72/419206972.db2.gz CZBJCKLCUZGPHY-CYZMBNFOSA-N -1 3 256.305 3.346 20 0 CGADHM Cc1ccc2c(c1)[C@@H](NCc1ccc(C(=O)[O-])cc1)CC2 ZINC000666574234 419226895 /nfs/dbraw/zinc/22/68/95/419226895.db2.gz GLECLLOJSSEUDH-KRWDZBQOSA-N -1 3 281.355 3.470 20 0 CGADHM CC(C)[C@@H]([N-]S(=O)(=O)c1ccoc1)c1ccccc1F ZINC000657110581 419227226 /nfs/dbraw/zinc/22/72/26/419227226.db2.gz UWLIVIVZXCDXKD-CQSZACIVSA-N -1 3 297.351 3.094 20 0 CGADHM CC(C)C(=O)Nc1cccc(NC(=O)c2cccc([O-])c2)c1 ZINC000181938455 287541522 /nfs/dbraw/zinc/54/15/22/287541522.db2.gz VLQPMBNNFHKBKK-UHFFFAOYSA-N -1 3 298.342 3.239 20 0 CGADHM Cc1ccc([O-])c(-c2nc(-c3ccc4c(c3)CCO4)no2)c1 ZINC000184880746 287549177 /nfs/dbraw/zinc/54/91/77/287549177.db2.gz KBWBPUTWJMELJN-UHFFFAOYSA-N -1 3 294.310 3.353 20 0 CGADHM COc1cccc(CN(CC(=O)[O-])CC(C)(C)C)c1Cl ZINC000662225309 419366800 /nfs/dbraw/zinc/36/68/00/419366800.db2.gz URSIGHXQUPPRJH-UHFFFAOYSA-N -1 3 299.798 3.281 20 0 CGADHM C[C@H]1CCN(C(=O)/C=C/c2ccc[nH]2)c2c([O-])cccc21 ZINC000188857945 287562711 /nfs/dbraw/zinc/56/27/11/287562711.db2.gz XPOUZZVNURQFLT-GUOLPTJISA-N -1 3 282.343 3.274 20 0 CGADHM COc1ccc(CN[C@@H](C)CCCCC(=O)[O-])c(Cl)c1 ZINC000426661113 533683502 /nfs/dbraw/zinc/68/35/02/533683502.db2.gz COWAOYPAAJVPBV-NSHDSACASA-N -1 3 299.798 3.472 20 0 CGADHM Cc1cc(C(=O)NC[C@@H]2CCC[C@@H](C)C2)ccc1[O-] ZINC000227021693 287636471 /nfs/dbraw/zinc/63/64/71/287636471.db2.gz PXTFDEVWDBGIAX-DGCLKSJQSA-N -1 3 261.365 3.257 20 0 CGADHM C[C@H]1CCN(Cc2cc(F)ccc2Cl)[C@@H](C(=O)[O-])C1 ZINC000219302561 260007409 /nfs/dbraw/zinc/00/74/09/260007409.db2.gz GAUQNZSIEPDMEY-TVQRCGJNSA-N -1 3 285.746 3.164 20 0 CGADHM Cc1noc(C)c1C(=O)[N-]c1c(F)cc(Cl)cc1F ZINC000180336563 260098618 /nfs/dbraw/zinc/09/86/18/260098618.db2.gz RAEYPRUUWSRXNW-UHFFFAOYSA-N -1 3 286.665 3.475 20 0 CGADHM CC[C@H](CSC)N(C)Cc1csc(C(=O)[O-])c1 ZINC000521886572 260223868 /nfs/dbraw/zinc/22/38/68/260223868.db2.gz CDCUPRPEGDNNSE-SNVBAGLBSA-N -1 3 273.423 3.020 20 0 CGADHM CCc1ccc([O-])c(C(=O)N(C)CCOc2ccccc2)c1 ZINC000522779359 262341265 /nfs/dbraw/zinc/34/12/65/262341265.db2.gz DTFAVQTVPYBQLL-UHFFFAOYSA-N -1 3 299.370 3.106 20 0 CGADHM CCCC[C@@H](CC)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000104366216 270046717 /nfs/dbraw/zinc/04/67/17/270046717.db2.gz HICPDEBRTYWSJL-LLVKDONJSA-N -1 3 287.367 3.022 20 0 CGADHM CCCC[C@@H](CC)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000104366216 270046719 /nfs/dbraw/zinc/04/67/19/270046719.db2.gz HICPDEBRTYWSJL-LLVKDONJSA-N -1 3 287.367 3.022 20 0 CGADHM CCC[C@H](CC)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000519488919 265444318 /nfs/dbraw/zinc/44/43/18/265444318.db2.gz UCLJUNYZDUGDPK-QMMMGPOBSA-N -1 3 281.830 3.259 20 0 CGADHM CC(C)COC1CCN([C@@H](C)c2ccc(C(=O)[O-])o2)CC1 ZINC000519831353 265614125 /nfs/dbraw/zinc/61/41/25/265614125.db2.gz VYVKDIXWFXLYPZ-LBPRGKRZSA-N -1 3 295.379 3.176 20 0 CGADHM CSc1ccccc1NC(=O)c1cccc([O-])c1 ZINC000192795904 270077719 /nfs/dbraw/zinc/07/77/19/270077719.db2.gz WYVJBLRPHFXOJP-UHFFFAOYSA-N -1 3 259.330 3.366 20 0 CGADHM Cc1cc(C(=O)N[C@H]2CCCC(C)(C)C2)ccc1[O-] ZINC000227410767 270087183 /nfs/dbraw/zinc/08/71/83/270087183.db2.gz DWDUYJDNESSFMR-ZDUSSCGKSA-N -1 3 261.365 3.399 20 0 CGADHM CCOc1ccccc1[N-]S(=O)(=O)CCC(C)(C)C ZINC000481466128 270096858 /nfs/dbraw/zinc/09/68/58/270096858.db2.gz LXTJXVDBGKHPKG-UHFFFAOYSA-N -1 3 285.409 3.263 20 0 CGADHM CCCC1(CNC(=O)c2ccc([O-])c(C)c2)CCC1 ZINC000392101404 266022724 /nfs/dbraw/zinc/02/27/24/266022724.db2.gz QNJWDUYLJMFEEZ-UHFFFAOYSA-N -1 3 261.365 3.401 20 0 CGADHM CC(C)(C)[C@H]([N-]C(=O)CC(F)(F)F)C(F)(F)F ZINC000524772901 270114956 /nfs/dbraw/zinc/11/49/56/270114956.db2.gz UYACRAIKUQCHEF-LURJTMIESA-N -1 3 265.197 3.032 20 0 CGADHM C[C@]1(Br)C[C@H]1c1nc(-c2ccc([O-])cc2)no1 ZINC000528156119 270156081 /nfs/dbraw/zinc/15/60/81/270156081.db2.gz MEBTZUQRIUKFIQ-CABZTGNLSA-N -1 3 295.136 3.083 20 0 CGADHM C[C@@H]1CC[C@@H](c2noc(/C=C/c3cccc([O-])c3)n2)O1 ZINC000528235666 270159087 /nfs/dbraw/zinc/15/90/87/270159087.db2.gz KWTXFXPIAXMXNA-CBEDBXNCSA-N -1 3 272.304 3.186 20 0 CGADHM CCc1cccc(C(=O)N2CCC(C(C)C)CC2)c1[O-] ZINC000530718700 270202425 /nfs/dbraw/zinc/20/24/25/270202425.db2.gz AETKWVINWNZPPM-UHFFFAOYSA-N -1 3 275.392 3.463 20 0 CGADHM CCc1cccc(C(=O)N2CCc3ccccc3C2)c1[O-] ZINC000531119076 270204238 /nfs/dbraw/zinc/20/42/38/270204238.db2.gz CICPIFFAYBCEMR-UHFFFAOYSA-N -1 3 281.355 3.153 20 0 CGADHM CCc1cccc(C(=O)Nc2cccc(C(C)=O)c2)c1[O-] ZINC000531436348 270206929 /nfs/dbraw/zinc/20/69/29/270206929.db2.gz PJWJUHYMKLUTHG-UHFFFAOYSA-N -1 3 283.327 3.410 20 0 CGADHM CCc1cccc(C(=O)N2CCC(C(F)F)CC2)c1[O-] ZINC000532273641 270214734 /nfs/dbraw/zinc/21/47/34/270214734.db2.gz DTPBPGPNAWTTOL-UHFFFAOYSA-N -1 3 283.318 3.072 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CC[C@](C)(CC)C2)c1 ZINC000532090256 270213819 /nfs/dbraw/zinc/21/38/19/270213819.db2.gz BAEQEVKGHDWBET-INIZCTEOSA-N -1 3 261.365 3.217 20 0 CGADHM Cc1ccc(NC(=O)c2ccc3c(n2)CCCC3)c([O-])c1 ZINC000533087151 270221513 /nfs/dbraw/zinc/22/15/13/270221513.db2.gz BMXSTZKJJUZAPL-UHFFFAOYSA-N -1 3 282.343 3.227 20 0 CGADHM Cc1ccc(NC(=O)/C=C\c2cncc([O-])c2)cc1C ZINC000255226984 287861044 /nfs/dbraw/zinc/86/10/44/287861044.db2.gz KHCOMWIGBDZWKJ-XQRVVYSFSA-N -1 3 268.316 3.056 20 0 CGADHM C[C@@H]1CCN(C(=O)[C@@H]2CCCOCC2)c2c([O-])cccc21 ZINC000335200573 277743563 /nfs/dbraw/zinc/74/35/63/277743563.db2.gz WMAPXZCQDKWOOJ-CHWSQXEVSA-N -1 3 289.375 3.049 20 0 CGADHM C[C@@H]1[C@H](C)CN(C(=O)c2cc([O-])ccc2Cl)[C@H]1C ZINC000399572584 288052925 /nfs/dbraw/zinc/05/29/25/288052925.db2.gz PGBLYCFFOVFHDH-BBBLOLIVSA-N -1 3 267.756 3.162 20 0 CGADHM CC(C)(C)c1ccccc1C(=O)Nc1ncccc1[O-] ZINC000341894084 278563313 /nfs/dbraw/zinc/56/33/13/278563313.db2.gz WKRDZXYUQCYDEU-UHFFFAOYSA-N -1 3 270.332 3.337 20 0 CGADHM CCC[C@H]1CCCCN1C(=O)c1cccc(C)c1[O-] ZINC000179512465 278952544 /nfs/dbraw/zinc/95/25/44/278952544.db2.gz LTWOETUFWLOLLA-ZDUSSCGKSA-N -1 3 261.365 3.495 20 0 CGADHM C[C@@H]1c2ccccc2CN1C(=O)c1cccc([O-])c1 ZINC000357314766 279136692 /nfs/dbraw/zinc/13/66/92/279136692.db2.gz YVKIWUKNQMZYQP-LLVKDONJSA-N -1 3 253.301 3.109 20 0 CGADHM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)Nc1c([O-])cccc1Cl ZINC000529422454 288245201 /nfs/dbraw/zinc/24/52/01/288245201.db2.gz BNKSWNFSRSEGPM-JXVAYASWSA-N -1 3 283.755 3.044 20 0 CGADHM CC(C)c1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)[C@H]2C)c([O-])c1 ZINC000438396185 280597226 /nfs/dbraw/zinc/59/72/26/280597226.db2.gz MWFNFDGUSCOMPI-UPJWGTAASA-N -1 3 291.391 3.154 20 0 CGADHM CCCc1nc(C)c(CN2[C@H](C)CC(C(=O)[O-])C[C@H]2C)o1 ZINC000530175166 288293870 /nfs/dbraw/zinc/29/38/70/288293870.db2.gz OFKLHGCZZCJORQ-GHMZBOCLSA-N -1 3 294.395 3.009 20 0 CGADHM CC1(C)CN(Cc2c(F)ccc([O-])c2F)[C@@H]1[C@@H]1CCCO1 ZINC000294037582 281245767 /nfs/dbraw/zinc/24/57/67/281245767.db2.gz WBWYQZCZGUCTCG-DZGCQCFKSA-N -1 3 297.345 3.060 20 0 CGADHM CC(C)c1nc(=NCC2(N(C)C)CCCCCC2)s[n-]1 ZINC000530594581 288312520 /nfs/dbraw/zinc/31/25/20/288312520.db2.gz BPPQLUNGWSVPNM-UHFFFAOYSA-N -1 3 296.484 3.150 20 0 CGADHM CC1=C[C@@H](C)CN(C(=O)c2cc([O-])ccc2C(F)(F)F)C1 ZINC000338915098 281688534 /nfs/dbraw/zinc/68/85/34/281688534.db2.gz WYCNEYKAFKAJEA-SECBINFHSA-N -1 3 299.292 3.449 20 0 CGADHM CCCC(C)(C)[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000533710336 288392295 /nfs/dbraw/zinc/39/22/95/288392295.db2.gz SUPOTUAUUVCERH-UHFFFAOYSA-N -1 3 293.791 3.336 20 0 CGADHM CCO[C@H](C)c1ncc(C(=O)[N-]c2csc(C)n2)s1 ZINC000535728404 288456902 /nfs/dbraw/zinc/45/69/02/288456902.db2.gz NBZVEPXHSMEDPA-SSDOTTSWSA-N -1 3 297.405 3.258 20 0 CGADHM CC1(C)CC(CNC(=O)Cc2ccc([O-])cc2Cl)C1 ZINC000547730635 288973393 /nfs/dbraw/zinc/97/33/93/288973393.db2.gz GJQQOCSFWLWJKA-UHFFFAOYSA-N -1 3 281.783 3.141 20 0 CGADHM CC(C)(CNC(=O)c1cc([O-])ccc1Cl)C(F)(F)F ZINC000552192743 289171112 /nfs/dbraw/zinc/17/11/12/289171112.db2.gz FJDCPHLTDDKWEW-UHFFFAOYSA-N -1 3 295.688 3.364 20 0 CGADHM COc1ccc(C2CCN(Cc3ncccc3[O-])CC2)cc1 ZINC000554856689 289314045 /nfs/dbraw/zinc/31/40/45/289314045.db2.gz ZHLOFDGCEVLGDM-UHFFFAOYSA-N -1 3 298.386 3.175 20 0 CGADHM Cc1nc(CNC[C@@H]2C(C)=CCC[C@@H]2C)sc1C(=O)[O-] ZINC000555614434 289352703 /nfs/dbraw/zinc/35/27/03/289352703.db2.gz GKLTVDOAFCSWOK-CMPLNLGQSA-N -1 3 294.420 3.232 20 0 CGADHM Cc1nc([N-]C(=O)c2ccc(Br)o2)cs1 ZINC000334260469 293336567 /nfs/dbraw/zinc/33/65/67/293336567.db2.gz RVLPFADOOGYCCJ-UHFFFAOYSA-N -1 3 287.138 3.059 20 0 CGADHM C[C@H]1CCN(C(=O)c2cc([O-])ccc2C(F)(F)F)[C@H]1C ZINC000193440970 299954222 /nfs/dbraw/zinc/95/42/22/299954222.db2.gz RUKQCJRAPMNQKO-IUCAKERBSA-N -1 3 287.281 3.282 20 0 CGADHM C[C@H]1CC[C@H](C)N1C(=O)c1cc([O-])ccc1Cl ZINC000336039087 300062776 /nfs/dbraw/zinc/06/27/76/300062776.db2.gz KQVVAQAEZAKFBY-IUCAKERBSA-N -1 3 253.729 3.059 20 0 CGADHM Cc1ccc(C(=O)N2C[C@H](C)CC(C)(C)C2)c([O-])c1 ZINC000436839663 301521053 /nfs/dbraw/zinc/52/10/53/301521053.db2.gz UNTWMEPPHFOKSR-GFCCVEGCSA-N -1 3 261.365 3.209 20 0 CGADHM Cc1cccc(C(=O)N2CC[C@@H](C(F)(F)F)[C@@H]2C)c1[O-] ZINC000336506987 301951346 /nfs/dbraw/zinc/95/13/46/301951346.db2.gz YLHLGTSYXNXVPH-GXSJLCMTSA-N -1 3 287.281 3.114 20 0 CGADHM Cc1cccc(NC(=O)c2cc([O-])ccc2C(F)(F)F)n1 ZINC000188877294 327761567 /nfs/dbraw/zinc/76/15/67/327761567.db2.gz MRQUSRLPRCLYPV-UHFFFAOYSA-N -1 3 296.248 3.367 20 0 CGADHM CC(C)C[C@H](C)NC(=O)Cc1ccc([O-])cc1Cl ZINC000162645590 321885907 /nfs/dbraw/zinc/88/59/07/321885907.db2.gz BQSXAGJJERBYMV-JTQLQIEISA-N -1 3 269.772 3.139 20 0 CGADHM CC(=O)c1ccc(C(=O)N(C)[C@@H](C)C(C)(C)C)cc1[O-] ZINC000563870129 322013723 /nfs/dbraw/zinc/01/37/23/322013723.db2.gz HOCCFFXLBAPUFL-NSHDSACASA-N -1 3 277.364 3.101 20 0 CGADHM CC(C)C[C@@H](C(=O)[O-])N(C)Cc1ccc(Cl)cc1F ZINC000565366141 322074926 /nfs/dbraw/zinc/07/49/26/322074926.db2.gz QHCZSEKREZRNSS-ZDUSSCGKSA-N -1 3 287.762 3.410 20 0 CGADHM CN(Cc1cc(Cl)ccc1F)CC1(CC(=O)[O-])CC1 ZINC000565425581 322077459 /nfs/dbraw/zinc/07/74/59/322077459.db2.gz GOOMCLCWXQPCMV-UHFFFAOYSA-N -1 3 285.746 3.166 20 0 CGADHM COc1ccc(Cl)c(CN2CCC[C@@](C)(C(=O)[O-])C2)c1 ZINC000566358731 322117994 /nfs/dbraw/zinc/11/79/94/322117994.db2.gz ZWTHGUNYJCKXST-OAHLLOKOSA-N -1 3 297.782 3.035 20 0 CGADHM O=C([O-])C1(CN(Cc2ccco2)Cc2ccccc2)CC1 ZINC000566358970 322118008 /nfs/dbraw/zinc/11/80/08/322118008.db2.gz AUGHRXLSKCVWCD-UHFFFAOYSA-N -1 3 285.343 3.147 20 0 CGADHM C[C@H]1CCCN(Cc2csc(C(=O)[O-])c2)CC1 ZINC000566802182 322138709 /nfs/dbraw/zinc/13/87/09/322138709.db2.gz ZOMLVCMSFFDEML-JTQLQIEISA-N -1 3 253.367 3.068 20 0 CGADHM COc1cc(-c2noc(CSC(C)C)n2)ccc1[O-] ZINC000566815475 322139322 /nfs/dbraw/zinc/13/93/22/322139322.db2.gz HWKWPIJKZZSVGA-UHFFFAOYSA-N -1 3 280.349 3.092 20 0 CGADHM CCN(Cc1ncccc1[O-])[C@@H](C)c1cccc(O)c1 ZINC000567398733 322161850 /nfs/dbraw/zinc/16/18/50/322161850.db2.gz LVWMGIXURCXSNL-LBPRGKRZSA-N -1 3 272.348 3.076 20 0 CGADHM C[C@@H]1CCN(Cc2cccc(C(F)F)c2)C[C@H]1C(=O)[O-] ZINC000567856693 322180290 /nfs/dbraw/zinc/18/02/90/322180290.db2.gz PGOJJUGTZOUAMN-ZWNOBZJWSA-N -1 3 283.318 3.167 20 0 CGADHM C[C@]1(c2nc(-c3ccc4n[n-]nc4c3)no2)CC=CCC1 ZINC000568009964 322187871 /nfs/dbraw/zinc/18/78/71/322187871.db2.gz WGJZVBCKWYTGEK-HNNXBMFYSA-N -1 3 281.319 3.006 20 0 CGADHM O=C([O-])c1ccc(Cl)c(CN2CCCCCC2)c1 ZINC000568061654 322190255 /nfs/dbraw/zinc/19/02/55/322190255.db2.gz MXDJUGVBCKTCOC-UHFFFAOYSA-N -1 3 267.756 3.414 20 0 CGADHM Cc1ccc([C@H](C)N(C)Cc2ccoc2C(=O)[O-])cc1 ZINC000568060654 322190523 /nfs/dbraw/zinc/19/05/23/322190523.db2.gz JHCGROTUUIYGRA-LBPRGKRZSA-N -1 3 273.332 3.479 20 0 CGADHM C[C@@H](NC(=O)c1csc(=O)[n-]1)c1ccc(C2CC2)cc1 ZINC000569092193 322234392 /nfs/dbraw/zinc/23/43/92/322234392.db2.gz UMGVQOLBIUSAPD-SECBINFHSA-N -1 3 288.372 3.217 20 0 CGADHM C[C@@H]1CC[C@H](C(=O)[O-])[C@H](C)N1Cc1ccc(Cl)cc1 ZINC000569472386 322248320 /nfs/dbraw/zinc/24/83/20/322248320.db2.gz IUWDHWRCATZFTI-SUNKGSAMSA-N -1 3 281.783 3.414 20 0 CGADHM CO[C@@]1(C)C[C@H](N(C)Cc2csc(C(=O)[O-])c2)C1(C)C ZINC000569584179 322251203 /nfs/dbraw/zinc/25/12/03/322251203.db2.gz NIDCQRPGQGEPRA-WFASDCNBSA-N -1 3 297.420 3.082 20 0 CGADHM CC[C@H](C)c1n[n-]c(=NC(C)(C)C)n1Cc1ccccc1 ZINC000569777623 322256894 /nfs/dbraw/zinc/25/68/94/322256894.db2.gz OPGQAGYFJVWQTM-ZDUSSCGKSA-N -1 3 286.423 3.472 20 0 CGADHM Cc1oc([C@@H](C)N2CC[C@H](OCC(C)C)C2)cc1C(=O)[O-] ZINC000572168665 322323593 /nfs/dbraw/zinc/32/35/93/322323593.db2.gz GUQAMVHYBFDQMK-YPMHNXCESA-N -1 3 295.379 3.094 20 0 CGADHM CC1=CCC[C@H](C)[C@H]1CN[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC000573802172 322407450 /nfs/dbraw/zinc/40/74/50/322407450.db2.gz FUSADOLHOIDIND-SRVKXCTJSA-N -1 3 294.420 3.484 20 0 CGADHM CC(C)(C)c1ccc(NC(=O)CCc2cnccn2)c([O-])c1 ZINC000573983152 322417259 /nfs/dbraw/zinc/41/72/59/322417259.db2.gz PVDXAMCICSKTSB-UHFFFAOYSA-N -1 3 299.374 3.051 20 0 CGADHM CCCN(C(=O)c1ccc2c(c1[O-])OC(C)(C)C2)C(C)C ZINC000574530946 322445098 /nfs/dbraw/zinc/44/50/98/322445098.db2.gz JNTBOTKGIDPASI-UHFFFAOYSA-N -1 3 291.391 3.366 20 0 CGADHM C[C@@H]1CCCN1Cc1oc(-c2ccccc2)nc1C(=O)[O-] ZINC000583386817 327337692 /nfs/dbraw/zinc/33/76/92/327337692.db2.gz NDHBYKJBGIVJJU-LLVKDONJSA-N -1 3 286.331 3.024 20 0 CGADHM Cc1ccc(CNC[C@@H](CC(C)C)C(=O)[O-])c(Cl)c1 ZINC000583696322 329011436 /nfs/dbraw/zinc/01/14/36/329011436.db2.gz OJMHAHCFLYWPAO-CYBMUJFWSA-N -1 3 283.799 3.485 20 0 CGADHM Cc1cc(CN2CCS[C@@H]3CCCC[C@H]32)oc1C(=O)[O-] ZINC000582670963 329122686 /nfs/dbraw/zinc/12/26/86/329122686.db2.gz DCFWGROZOUXSCI-CHWSQXEVSA-N -1 3 295.404 3.146 20 0 CGADHM CC[C@H](C)N(C)Cc1cccc(C(=O)[O-])c1Cl ZINC000394497288 329124091 /nfs/dbraw/zinc/12/40/91/329124091.db2.gz ISRKSYFVSXLFEZ-VIFPVBQESA-N -1 3 255.745 3.269 20 0 CGADHM O=C(Nc1cncc2ccccc21)c1cccc([O-])c1 ZINC000396481716 329316659 /nfs/dbraw/zinc/31/66/59/329316659.db2.gz YXHWYIDYTZZPFQ-UHFFFAOYSA-N -1 3 264.284 3.193 20 0 CGADHM CCOc1cc(-c2noc(C3(CF)CCC3)n2)ccc1[O-] ZINC000580430322 330134417 /nfs/dbraw/zinc/13/44/17/330134417.db2.gz ACYDZCIXHWCUQO-UHFFFAOYSA-N -1 3 292.310 3.232 20 0 CGADHM Cc1ccc(CN(C)Cc2ccc(OCC(=O)[O-])cc2)cc1 ZINC000576114997 335156427 /nfs/dbraw/zinc/15/64/27/335156427.db2.gz GGYNOLPDZIKHLP-UHFFFAOYSA-N -1 3 299.370 3.090 20 0 CGADHM O=C(Cn1ccc2ccccc21)Nc1cc(F)ccc1[O-] ZINC000174877775 335168287 /nfs/dbraw/zinc/16/82/87/335168287.db2.gz OWEIAGBHUGLIFP-UHFFFAOYSA-N -1 3 284.290 3.125 20 0 CGADHM CCOc1ccc(C(=O)Nc2cc(F)ccc2[O-])cc1 ZINC000174885516 335168637 /nfs/dbraw/zinc/16/86/37/335168637.db2.gz PSPFKTKXBDFXQN-UHFFFAOYSA-N -1 3 275.279 3.182 20 0 CGADHM Cc1ccccc1CCC(=O)Nc1cc(F)ccc1[O-] ZINC000174893596 335168991 /nfs/dbraw/zinc/16/89/91/335168991.db2.gz LKCQDGQYACNEJT-UHFFFAOYSA-N -1 3 273.307 3.411 20 0 CGADHM CCc1ccc(CC(=O)Nc2ccc(C)cc2[O-])cc1 ZINC000175059221 335171964 /nfs/dbraw/zinc/17/19/64/335171964.db2.gz GOFIWTDGGHPPBV-UHFFFAOYSA-N -1 3 269.344 3.444 20 0 CGADHM Cc1ccc([O-])c(C(=O)N(C)[C@H]2CCc3ccccc32)c1 ZINC000192627026 335283709 /nfs/dbraw/zinc/28/37/09/335283709.db2.gz ZSBULZUEBNTRFO-INIZCTEOSA-N -1 3 281.355 3.460 20 0 CGADHM Cc1oc([C@H](C)N2CC[C@H](C)[C@H](C)C2)cc1C(=O)[O-] ZINC000577500775 335360217 /nfs/dbraw/zinc/36/02/17/335360217.db2.gz YVQIUOQHYLYFJZ-AXFHLTTASA-N -1 3 265.353 3.325 20 0 CGADHM COc1cc(C)cc(-c2nc(-c3ccoc3)no2)c1[O-] ZINC000350820640 335537178 /nfs/dbraw/zinc/53/71/78/335537178.db2.gz QMBCBFHGIGBZQL-UHFFFAOYSA-N -1 3 272.260 3.019 20 0 CGADHM CCC[C@H](OC)c1noc(-c2n[n-]nc2-c2ccccc2)n1 ZINC000351140849 335573630 /nfs/dbraw/zinc/57/36/30/335573630.db2.gz ZFCFHXDMNRYEAO-NSHDSACASA-N -1 3 299.334 3.009 20 0 CGADHM O=c1cc(C=Cc2cccc3c2OCCO3)nc(C2CC2)[n-]1 ZINC000578216905 335581545 /nfs/dbraw/zinc/58/15/45/335581545.db2.gz DTZKEVRCFXXWJE-SREVYHEPSA-N -1 3 296.326 3.001 20 0 CGADHM Cc1cc(CN2CCC[C@@H](CC(=O)[O-])C2)ccc1Cl ZINC000581416679 336073310 /nfs/dbraw/zinc/07/33/10/336073310.db2.gz KDTVGTMYZNLTGC-LBPRGKRZSA-N -1 3 281.783 3.335 20 0 CGADHM CC[C@@H](NCc1ncccc1[O-])c1ccc(C)cc1 ZINC000581752558 336142145 /nfs/dbraw/zinc/14/21/45/336142145.db2.gz HJBNMUAXMGTLKX-CQSZACIVSA-N -1 3 256.349 3.337 20 0 CGADHM CN(C(=O)Cc1cncc([O-])c1)[C@H]1CCC[C@H]1C(C)(C)C ZINC000581953915 336178748 /nfs/dbraw/zinc/17/87/48/336178748.db2.gz CGMJEJBCAIYNMG-CABCVRRESA-N -1 3 290.407 3.003 20 0 CGADHM COc1ccc(CCc2nc(-c3ccc([O-])cc3)no2)cc1 ZINC000386972353 336183209 /nfs/dbraw/zinc/18/32/09/336183209.db2.gz XONKSUORCPGHLB-UHFFFAOYSA-N -1 3 296.326 3.236 20 0 CGADHM Cc1cc(CN[C@H](C(=O)[O-])c2ccsc2)ccc1F ZINC000426785104 533727236 /nfs/dbraw/zinc/72/72/36/533727236.db2.gz VPGDPTQKLRFPBY-ZDUSSCGKSA-N -1 3 279.336 3.111 20 0 CGADHM Cc1cc(Cl)ccc1C(=O)Nc1ncccc1[O-] ZINC000132859500 533779206 /nfs/dbraw/zinc/77/92/06/533779206.db2.gz LBLBOSMASAFCEP-UHFFFAOYSA-N -1 3 262.696 3.001 20 0 CGADHM COc1ccc(F)cc1NC(=O)c1ccc(C)c(C)c1[O-] ZINC000436620720 533953654 /nfs/dbraw/zinc/95/36/54/533953654.db2.gz WJYWJCFTJIUKEA-UHFFFAOYSA-N -1 3 289.306 3.409 20 0 CGADHM Cc1cc[nH]c1C(=O)N=c1cc(-c2cc(C)cc(C)c2)[n-][nH]1 ZINC000437386537 534154714 /nfs/dbraw/zinc/15/47/14/534154714.db2.gz PEIBQGLTUFMJJT-UHFFFAOYSA-N -1 3 294.358 3.004 20 0 CGADHM Cc1ccc(-c2nnc(NC(=O)C[C@@H](C)CC(C)C)[n-]2)o1 ZINC000358993447 534199367 /nfs/dbraw/zinc/19/93/67/534199367.db2.gz BEQOROCMLLTIQQ-JTQLQIEISA-N -1 3 290.367 3.384 20 0 CGADHM Cc1ccc(-c2n[n-]c(NC(=O)C[C@@H](C)CC(C)C)n2)o1 ZINC000358993447 534199370 /nfs/dbraw/zinc/19/93/70/534199370.db2.gz BEQOROCMLLTIQQ-JTQLQIEISA-N -1 3 290.367 3.384 20 0 CGADHM Cc1ccc(-c2nc(NC(=O)C[C@@H](C)CC(C)C)n[n-]2)o1 ZINC000358993447 534199373 /nfs/dbraw/zinc/19/93/73/534199373.db2.gz BEQOROCMLLTIQQ-JTQLQIEISA-N -1 3 290.367 3.384 20 0 CGADHM CC(C)CSCc1noc(-c2ccccc2[O-])n1 ZINC000109196804 519769879 /nfs/dbraw/zinc/76/98/79/519769879.db2.gz OGZUVQZCRWXUML-UHFFFAOYSA-N -1 3 264.350 3.331 20 0 CGADHM CC(C)OCc1nc(=O)c2c3c(sc2[n-]1)C[C@@H](C)CC3 ZINC000080715606 519776643 /nfs/dbraw/zinc/77/66/43/519776643.db2.gz FETGOMXBDVVKIC-VIFPVBQESA-N -1 3 292.404 3.034 20 0 CGADHM O=C(Nc1ncccc1[O-])c1c[nH]cc1-c1ccccc1F ZINC000427458770 534474176 /nfs/dbraw/zinc/47/41/76/534474176.db2.gz NYBLVRBYZIWDIV-UHFFFAOYSA-N -1 3 297.289 3.174 20 0 CGADHM CCO[N-]C(=O)Nc1ccc(N2CCCC[C@H]2C)cc1C ZINC000184082155 520236699 /nfs/dbraw/zinc/23/66/99/520236699.db2.gz AXWGKJHVIJVAKW-CYBMUJFWSA-N -1 3 291.395 3.447 20 0 CGADHM CCC[C@H](C(=O)Nc1cc(F)ccc1[O-])c1ccccn1 ZINC000339352479 520988123 /nfs/dbraw/zinc/98/81/23/520988123.db2.gz BBJXRXPJDUKPNL-LBPRGKRZSA-N -1 3 288.322 3.449 20 0 CGADHM Cc1cccc(-c2nc(CCc3ccco3)no2)c1[O-] ZINC000436949715 534557270 /nfs/dbraw/zinc/55/72/70/534557270.db2.gz YYZJVTBXHSEBMZ-UHFFFAOYSA-N -1 3 270.288 3.129 20 0 CGADHM Cc1cccc(C(=O)N2CCC[C@H](c3ccncc3)C2)c1[O-] ZINC000334895443 534592026 /nfs/dbraw/zinc/59/20/26/534592026.db2.gz SIPMATHHAKDXCE-HNNXBMFYSA-N -1 3 296.370 3.115 20 0 CGADHM O=C(NC[C@@H]1SCCc2ccccc21)c1ccccc1[O-] ZINC000436574639 534613262 /nfs/dbraw/zinc/61/32/62/534613262.db2.gz KQNOQDNFGFLLGP-INIZCTEOSA-N -1 3 299.395 3.153 20 0 CGADHM Cc1cccc(C(=O)N[C@H]2C[C@@H]2Cc2ccccc2)c1[O-] ZINC000436591795 534623441 /nfs/dbraw/zinc/62/34/41/534623441.db2.gz RLOSRJBRAFTLJF-HOCLYGCPSA-N -1 3 281.355 3.062 20 0 CGADHM Cc1cccc(C(=O)N[C@H]2C[C@H]2Cc2ccccc2)c1[O-] ZINC000436591798 534623683 /nfs/dbraw/zinc/62/36/83/534623683.db2.gz RLOSRJBRAFTLJF-ZBFHGGJFSA-N -1 3 281.355 3.062 20 0 CGADHM Cc1cccc(C(=O)Nc2ccnn2[C@H](C)C2CC2)c1[O-] ZINC000193124662 534627455 /nfs/dbraw/zinc/62/74/55/534627455.db2.gz AVXMMDDVVSELSZ-LLVKDONJSA-N -1 3 285.347 3.120 20 0 CGADHM Cc1cccc(C(C)(C)CNC(=O)c2ccc(O)cc2[O-])c1 ZINC000436665157 534633713 /nfs/dbraw/zinc/63/37/13/534633713.db2.gz NWMJYKHKDAGXNM-UHFFFAOYSA-N -1 3 299.370 3.114 20 0 CGADHM Cc1cccc(C)c1CCNC(=O)c1ccc([O-])c(C)c1 ZINC000436934217 534662367 /nfs/dbraw/zinc/66/23/67/534662367.db2.gz WBEOBEBHJCTKIR-UHFFFAOYSA-N -1 3 283.371 3.290 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)N1CCC[C@@H]1C1CCCC1 ZINC000448765330 534698822 /nfs/dbraw/zinc/69/88/22/534698822.db2.gz PQHUBPJUFYHODZ-OAHLLOKOSA-N -1 3 291.366 3.255 20 0 CGADHM Cn1c(=O)[n-]nc1SCCc1ccc2ccccc2c1 ZINC000437624599 534703049 /nfs/dbraw/zinc/70/30/49/534703049.db2.gz NGIDFDJANFWDIR-UHFFFAOYSA-N -1 3 285.372 3.009 20 0 CGADHM CC(=O)c1cccc(NC(=O)C=Cc2ccc(C)o2)c1[O-] ZINC000492781901 534889681 /nfs/dbraw/zinc/88/96/81/534889681.db2.gz KQNXHUBQHVINBV-CMDGGOBGSA-N -1 3 285.299 3.148 20 0 CGADHM C=Cc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2F)cc1 ZINC000436479265 526279954 /nfs/dbraw/zinc/27/99/54/526279954.db2.gz PUAABCACAMYVRB-UHFFFAOYSA-N -1 3 295.310 3.409 20 0 CGADHM Cc1nc(C)c(C(=O)[N-]c2c(C)noc2C2CC2)s1 ZINC000156590319 526703460 /nfs/dbraw/zinc/70/34/60/526703460.db2.gz YCLPWPNGDQKFNM-UHFFFAOYSA-N -1 3 277.349 3.186 20 0 CGADHM CC(C)(CNC(=O)c1ccccc1[O-])c1ccc(F)cc1 ZINC000436774561 527165511 /nfs/dbraw/zinc/16/55/11/527165511.db2.gz SZNSXDADIQPKPO-UHFFFAOYSA-N -1 3 287.334 3.239 20 0 CGADHM CC(C)c1ccc(C(=O)N(C)[C@@H]2CC2(C)C)c([O-])c1 ZINC000436822636 528058918 /nfs/dbraw/zinc/05/89/18/528058918.db2.gz PZPWOBDCUOXOKK-CQSZACIVSA-N -1 3 261.365 3.386 20 0 CGADHM CC(C)c1ccc(C(=O)N2CCOC(C)(C)[C@H]2C)c([O-])c1 ZINC000436597904 528063942 /nfs/dbraw/zinc/06/39/42/528063942.db2.gz RSBIADSZFGKMKC-GFCCVEGCSA-N -1 3 291.391 3.155 20 0 CGADHM CC(C)c1ccc(C(=O)NC[C@H]2CCCSC2)c([O-])c1 ZINC000436741641 528072032 /nfs/dbraw/zinc/07/20/32/528072032.db2.gz UNSCPLUNTWAAAK-GFCCVEGCSA-N -1 3 293.432 3.389 20 0 CGADHM CC(C)c1ccc(C(=O)N[C@H](C)C[C@H]2CCCO2)c([O-])c1 ZINC000436721117 528077398 /nfs/dbraw/zinc/07/73/98/528077398.db2.gz GLMWKXDJLURPQP-TZMCWYRMSA-N -1 3 291.391 3.203 20 0 CGADHM CC(C)c1cccc(S(=O)(=O)[N-][C@H](C)C(F)(F)F)c1 ZINC000424216472 528187752 /nfs/dbraw/zinc/18/77/52/528187752.db2.gz SWGCDJRMHXTBQS-SECBINFHSA-N -1 3 295.326 3.039 20 0 CGADHM CC(C)Cc1c[nH]c(C(=O)Nc2ccc([O-])cc2F)c1 ZINC000412259850 528637857 /nfs/dbraw/zinc/63/78/57/528637857.db2.gz VCYAQXFMLLVOLQ-UHFFFAOYSA-N -1 3 276.311 3.310 20 0 CGADHM CCOc1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000443402561 528680020 /nfs/dbraw/zinc/68/00/20/528680020.db2.gz ZMLABCBITILOJX-UHFFFAOYSA-N -1 3 295.335 3.025 20 0 CGADHM CCCc1nnc([N-]C(=O)c2scnc2C(C)C)s1 ZINC000448758022 528774591 /nfs/dbraw/zinc/77/45/91/528774591.db2.gz APWBMTNETGFUSZ-UHFFFAOYSA-N -1 3 296.421 3.323 20 0 CGADHM CCCn1c(=O)[n-]nc1SCC1CCC(F)(F)CC1 ZINC000412985995 528822900 /nfs/dbraw/zinc/82/29/00/528822900.db2.gz VMLPEDOKSREOPS-UHFFFAOYSA-N -1 3 291.367 3.311 20 0 CGADHM CC(C)[C@H](CC(=O)[O-])NCc1ccc(F)cc1Cl ZINC000426810517 528976000 /nfs/dbraw/zinc/97/60/00/528976000.db2.gz ILLZSZZXTQNFLN-LBPRGKRZSA-N -1 3 273.735 3.068 20 0 CGADHM CCCC[C@H](S[C@H](C)c1nc(C)cc(=O)[n-]1)C(=O)OC ZINC000355929142 528999182 /nfs/dbraw/zinc/99/91/82/528999182.db2.gz GUYCOMKIYSUJAE-MNOVXSKESA-N -1 3 298.408 3.017 20 0 CGADHM CCCC[C@H]1CCC[C@@H]1NC(=O)c1ccc(O)cc1[O-] ZINC000436535398 529002005 /nfs/dbraw/zinc/00/20/05/529002005.db2.gz ZUJFLQNIZICUNW-FZMZJTMJSA-N -1 3 277.364 3.187 20 0 CGADHM CCS[C@H]1CC[C@@H](N(C)C(=O)c2cc(C)ccc2[O-])C1 ZINC000175393340 529232714 /nfs/dbraw/zinc/23/27/14/529232714.db2.gz CRGOLIACHQBBSK-OLZOCXBDSA-N -1 3 293.432 3.447 20 0 CGADHM CC[C@H]1CC[C@@H](C)N1C(=O)c1ccc(C)c(C)c1[O-] ZINC000436769746 529249038 /nfs/dbraw/zinc/24/90/38/529249038.db2.gz ZTVBWOJRZJQQHR-YPMHNXCESA-N -1 3 261.365 3.412 20 0 CGADHM CC[C@H](CNC(=O)c1cc(OC)ccc1[O-])c1ccccc1 ZINC000436882736 529358119 /nfs/dbraw/zinc/35/81/19/529358119.db2.gz VLTLIOJNDTZMJQ-CYBMUJFWSA-N -1 3 299.370 3.324 20 0 CGADHM CC(C)(CNC(=O)NCc1ccc([O-])c(F)c1)C1CCC1 ZINC000455379369 535128507 /nfs/dbraw/zinc/12/85/07/535128507.db2.gz FHDQMAOPZNLEAB-UHFFFAOYSA-N -1 3 294.370 3.157 20 0 CGADHM CC(C)=CCC[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000480699840 535356747 /nfs/dbraw/zinc/35/67/47/535356747.db2.gz PJRCHLHNWDJGDH-UHFFFAOYSA-N -1 3 291.775 3.114 20 0 CGADHM CC[C@H](C)[C@H](CN=c1[n-]cc(C(F)(F)F)s1)OC ZINC000450615340 535943782 /nfs/dbraw/zinc/94/37/82/535943782.db2.gz BVHATHMYVQFRBN-YUMQZZPRSA-N -1 3 282.331 3.057 20 0 CGADHM CCc1cc(C(=O)NCCOc2cccc(C)c2)ccc1[O-] ZINC000485542732 536123001 /nfs/dbraw/zinc/12/30/01/536123001.db2.gz ISAYAFDDOVNFNL-UHFFFAOYSA-N -1 3 299.370 3.072 20 0 CGADHM O=C(OCc1ccc2ccccc2n1)c1ccc(F)cc1[O-] ZINC000750147671 571742150 /nfs/dbraw/zinc/74/21/50/571742150.db2.gz XZTMKGUCPYKLGF-UHFFFAOYSA-N -1 3 297.285 3.437 20 0 CGADHM Cc1cccc(C)c1COc1ccc(-c2nnn[n-]2)cc1 ZINC000737390967 572339529 /nfs/dbraw/zinc/33/95/29/572339529.db2.gz VBJIGPKFRZBVBG-UHFFFAOYSA-N -1 3 280.331 3.063 20 0 CGADHM Cc1cccc(C)c1COc1ccc(-c2nn[n-]n2)cc1 ZINC000737390967 572339531 /nfs/dbraw/zinc/33/95/31/572339531.db2.gz VBJIGPKFRZBVBG-UHFFFAOYSA-N -1 3 280.331 3.063 20 0 CGADHM Cc1cccc(CN(C)[C@@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC000738709141 572389367 /nfs/dbraw/zinc/38/93/67/572389367.db2.gz RDKUMPDDHJAJCT-MRXNPFEDSA-N -1 3 287.334 3.392 20 0 CGADHM C[C@H](c1cccc(F)c1)N1CCC(CN(C)C(=O)[O-])CC1 ZINC000739059028 572401234 /nfs/dbraw/zinc/40/12/34/572401234.db2.gz QLAAIHYJKMFOIO-GFCCVEGCSA-N -1 3 294.370 3.209 20 0 CGADHM O=C([O-])c1occc1CN1CC[C@H](c2ccccc2F)C1 ZINC000740281035 572438665 /nfs/dbraw/zinc/43/86/65/572438665.db2.gz HUGXGLKJWRQCFM-NSHDSACASA-N -1 3 289.306 3.106 20 0 CGADHM COc1cccc(CCCOC(=O)c2ccc([O-])cc2)c1 ZINC000744474527 572454294 /nfs/dbraw/zinc/45/42/94/572454294.db2.gz AADXKVDPMVISHB-UHFFFAOYSA-N -1 3 286.327 3.190 20 0 CGADHM O=C(NCc1cc2ccccc2o1)c1ccccc1[O-] ZINC000170190287 572481954 /nfs/dbraw/zinc/48/19/54/572481954.db2.gz WUQVMVMFWBFCDM-UHFFFAOYSA-N -1 3 267.284 3.068 20 0 CGADHM O=C([N-]c1cc(-c2ccccc2F)no1)c1cncs1 ZINC000732830154 572486105 /nfs/dbraw/zinc/48/61/05/572486105.db2.gz XUFPAAGTQJGLPV-UHFFFAOYSA-N -1 3 289.291 3.190 20 0 CGADHM C[C@@H](c1ccccc1Cl)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000302461809 572517620 /nfs/dbraw/zinc/51/76/20/572517620.db2.gz DXUWFZKYBWRVKA-WOPDTQHZSA-N -1 3 281.783 3.444 20 0 CGADHM C[C@@H]1CCC[C@@H](C(=O)Nc2n[n-]c(-c3cccs3)n2)C1 ZINC000741683751 572541520 /nfs/dbraw/zinc/54/15/20/572541520.db2.gz PCUPLHZBEJZAJN-NXEZZACHSA-N -1 3 290.392 3.298 20 0 CGADHM Cn1cc(-c2cccc(C(=O)Nc3ccccc3[O-])c2)cn1 ZINC000743293102 572646508 /nfs/dbraw/zinc/64/65/08/572646508.db2.gz PZOFAZSHSVZXSS-UHFFFAOYSA-N -1 3 293.326 3.045 20 0 CGADHM CC(C)[C@H](C)CNc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000735700544 572738260 /nfs/dbraw/zinc/73/82/60/572738260.db2.gz HNCXCKHKKMOPEO-SECBINFHSA-N -1 3 279.775 3.224 20 0 CGADHM CC(C)[C@H](C)CNc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000735700544 572738262 /nfs/dbraw/zinc/73/82/62/572738262.db2.gz HNCXCKHKKMOPEO-SECBINFHSA-N -1 3 279.775 3.224 20 0 CGADHM CC(C)(CC(=O)[O-])NCc1ccc(CSC(F)F)o1 ZINC000736311390 572780568 /nfs/dbraw/zinc/78/05/68/572780568.db2.gz SXSHFPPQBDKGQD-UHFFFAOYSA-N -1 3 293.335 3.078 20 0 CGADHM CC[C@H](C)CN(C)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736322631 572781799 /nfs/dbraw/zinc/78/17/99/572781799.db2.gz MPSNPISDLUKXHX-VIFPVBQESA-N -1 3 279.775 3.002 20 0 CGADHM CC[C@H](C)CN(C)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736322631 572781804 /nfs/dbraw/zinc/78/18/04/572781804.db2.gz MPSNPISDLUKXHX-VIFPVBQESA-N -1 3 279.775 3.002 20 0 CGADHM Nc1ccc(C(=O)Nc2ccc3ccccc3c2)c([O-])c1 ZINC000750788129 573179655 /nfs/dbraw/zinc/17/96/55/573179655.db2.gz GQGWUTREKSBCQN-UHFFFAOYSA-N -1 3 278.311 3.380 20 0 CGADHM CC(C)[C@@H](C)SCc1cccc(-c2nnn[n-]2)c1F ZINC000824191488 608396684 /nfs/dbraw/zinc/39/66/84/608396684.db2.gz FYGDNOFDTPKNEP-SECBINFHSA-N -1 3 280.372 3.284 20 0 CGADHM CC(C)[C@@H](C)SCc1cccc(-c2nn[n-]n2)c1F ZINC000824191488 608396685 /nfs/dbraw/zinc/39/66/85/608396685.db2.gz FYGDNOFDTPKNEP-SECBINFHSA-N -1 3 280.372 3.284 20 0 CGADHM C[C@@H](NCc1cccc(C(=O)[O-])c1)c1ccnc(Cl)c1 ZINC000820149006 598192031 /nfs/dbraw/zinc/19/20/31/598192031.db2.gz UAKIPBYZUDFFRG-SNVBAGLBSA-N -1 3 290.750 3.284 20 0 CGADHM O=C([O-])c1cccc(CN[C@@H](c2cccnc2)C2CC2)c1 ZINC000263451198 598204860 /nfs/dbraw/zinc/20/48/60/598204860.db2.gz ZQJQDMZMCPLROY-MRXNPFEDSA-N -1 3 282.343 3.021 20 0 CGADHM CSC(C)(C)CNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000821950471 599357649 /nfs/dbraw/zinc/35/76/49/599357649.db2.gz NPKWTIIVHSYCOZ-UHFFFAOYSA-N -1 3 297.815 3.074 20 0 CGADHM CSC(C)(C)CNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821950471 599357650 /nfs/dbraw/zinc/35/76/50/599357650.db2.gz NPKWTIIVHSYCOZ-UHFFFAOYSA-N -1 3 297.815 3.074 20 0 CGADHM CSC(C)(C)CNc1c(Cl)cccc1-c1nnn[n-]1 ZINC000821948172 599357640 /nfs/dbraw/zinc/35/76/40/599357640.db2.gz ALXMHSJXMOSAIZ-UHFFFAOYSA-N -1 3 297.815 3.074 20 0 CGADHM CSC(C)(C)CNc1c(Cl)cccc1-c1nn[n-]n1 ZINC000821948172 599357642 /nfs/dbraw/zinc/35/76/42/599357642.db2.gz ALXMHSJXMOSAIZ-UHFFFAOYSA-N -1 3 297.815 3.074 20 0 CGADHM Cc1cc(CNc2ccc(-c3nn[n-]n3)cc2)c(C)s1 ZINC000095330138 599575962 /nfs/dbraw/zinc/57/59/62/599575962.db2.gz DVIDSWPEGBDDDP-UHFFFAOYSA-N -1 3 285.376 3.157 20 0 CGADHM C/C(=C/CN1CC=C(c2ccc(C)cc2)CC1)C(=O)[O-] ZINC000825736029 601154829 /nfs/dbraw/zinc/15/48/29/601154829.db2.gz UPXJMDWJAOEZIW-AUWJEWJLSA-N -1 3 271.360 3.115 20 0 CGADHM C[C@@H](c1ccc(F)c(Cl)c1)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000227817782 601508273 /nfs/dbraw/zinc/50/82/73/601508273.db2.gz JMMKBRFTJACPCY-WCABBAIRSA-N -1 3 285.746 3.193 20 0 CGADHM O=C([O-])[C@]1(F)CCN(C2c3ccccc3-c3ccccc32)C1 ZINC000833175229 601552409 /nfs/dbraw/zinc/55/24/09/601552409.db2.gz ORHHYJIQTFKIKP-SFHVURJKSA-N -1 3 297.329 3.255 20 0 CGADHM CCc1nc2c(s1)[C@H](N(C)C/C=C(\C)C(=O)[O-])CCC2 ZINC000830322894 602054329 /nfs/dbraw/zinc/05/43/29/602054329.db2.gz SVMGHTVSQFGBLA-ZJNQMXKESA-N -1 3 294.420 3.046 20 0 CGADHM CC(C)CC1CCN(Cc2occc2C(=O)[O-])CC1 ZINC000826840405 602229600 /nfs/dbraw/zinc/22/96/00/602229600.db2.gz NKQXRZWQRVWJSH-UHFFFAOYSA-N -1 3 265.353 3.236 20 0 CGADHM CCc1ccc(CN(C)C2(C(=O)[O-])CCCCC2)o1 ZINC000382405121 604640971 /nfs/dbraw/zinc/64/09/71/604640971.db2.gz YTKGWOVOGMFXDE-UHFFFAOYSA-N -1 3 265.353 3.061 20 0 CGADHM CC(C)(C(=O)[O-])[C@@H](NCc1cncs1)c1ccccc1 ZINC000833412909 604866291 /nfs/dbraw/zinc/86/62/91/604866291.db2.gz DTCDFUTZXUSEGN-ZDUSSCGKSA-N -1 3 290.388 3.085 20 0 CGADHM CCc1cnccc1[C@@H](C)NCc1ccccc1CC(=O)[O-] ZINC000833674326 605270649 /nfs/dbraw/zinc/27/06/49/605270649.db2.gz SESPXLHGGRKUJK-CYBMUJFWSA-N -1 3 298.386 3.122 20 0 CGADHM CCC(CC)Nc1nc2ccccc2cc1-c1nnn[n-]1 ZINC000820897708 606021916 /nfs/dbraw/zinc/02/19/16/606021916.db2.gz MQVNAIBJZREJMF-UHFFFAOYSA-N -1 3 282.351 3.015 20 0 CGADHM CCC(CC)Nc1nc2ccccc2cc1-c1nn[n-]n1 ZINC000820897708 606021922 /nfs/dbraw/zinc/02/19/22/606021922.db2.gz MQVNAIBJZREJMF-UHFFFAOYSA-N -1 3 282.351 3.015 20 0 CGADHM CCc1ccc(NCc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000821486809 606212911 /nfs/dbraw/zinc/21/29/11/606212911.db2.gz MJWYDAZQAOUOTR-UHFFFAOYSA-N -1 3 285.376 3.103 20 0 CGADHM CCc1ccc(NCc2cc(-c3nn[n-]n3)cs2)cc1 ZINC000821486809 606212913 /nfs/dbraw/zinc/21/29/13/606212913.db2.gz MJWYDAZQAOUOTR-UHFFFAOYSA-N -1 3 285.376 3.103 20 0 CGADHM CCC[C@H]1C[C@H]1Nc1nc2ccccc2cc1-c1nnn[n-]1 ZINC000821039084 606420139 /nfs/dbraw/zinc/42/01/39/606420139.db2.gz ACOBOZKZTLHWNG-IINYFYTJSA-N -1 3 294.362 3.015 20 0 CGADHM CCC[C@H]1C[C@H]1Nc1nc2ccccc2cc1-c1nn[n-]n1 ZINC000821039084 606420140 /nfs/dbraw/zinc/42/01/40/606420140.db2.gz ACOBOZKZTLHWNG-IINYFYTJSA-N -1 3 294.362 3.015 20 0 CGADHM CSc1ccccc1NCc1ccccc1-c1nnn[n-]1 ZINC000821990453 606658623 /nfs/dbraw/zinc/65/86/23/606658623.db2.gz SPWUGIRXRBWIAU-UHFFFAOYSA-N -1 3 297.387 3.201 20 0 CGADHM CSc1ccccc1NCc1ccccc1-c1nn[n-]n1 ZINC000821990453 606658624 /nfs/dbraw/zinc/65/86/24/606658624.db2.gz SPWUGIRXRBWIAU-UHFFFAOYSA-N -1 3 297.387 3.201 20 0 CGADHM CC[C@H](C)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000820870623 606796244 /nfs/dbraw/zinc/79/62/44/606796244.db2.gz WIXVIJVPWBSMSL-JTQLQIEISA-N -1 3 262.382 3.146 20 0 CGADHM CC[C@H](C)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000820870623 606796242 /nfs/dbraw/zinc/79/62/42/606796242.db2.gz WIXVIJVPWBSMSL-JTQLQIEISA-N -1 3 262.382 3.146 20 0 CGADHM CC(C)[C@@H](C)SCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820020142 607009829 /nfs/dbraw/zinc/00/98/29/607009829.db2.gz CDQSASWTTJYADI-SECBINFHSA-N -1 3 280.372 3.284 20 0 CGADHM CC(C)[C@@H](C)SCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820020142 607009830 /nfs/dbraw/zinc/00/98/30/607009830.db2.gz CDQSASWTTJYADI-SECBINFHSA-N -1 3 280.372 3.284 20 0 CGADHM C[C@H](Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C1CCC1 ZINC000824649531 607903465 /nfs/dbraw/zinc/90/34/65/607903465.db2.gz NIFMPUVRWNWERQ-QMMMGPOBSA-N -1 3 277.759 3.121 20 0 CGADHM C[C@H](Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C1CCC1 ZINC000824649531 607903466 /nfs/dbraw/zinc/90/34/66/607903466.db2.gz NIFMPUVRWNWERQ-QMMMGPOBSA-N -1 3 277.759 3.121 20 0 CGADHM c1cc2nc(NCCC3CCC3)ccc2cc1-c1nnn[n-]1 ZINC000826518455 608232461 /nfs/dbraw/zinc/23/24/61/608232461.db2.gz OJANVPHQHLJIRM-UHFFFAOYSA-N -1 3 294.362 3.017 20 0 CGADHM c1cc2nc(NCCC3CCC3)ccc2cc1-c1nn[n-]n1 ZINC000826518455 608232462 /nfs/dbraw/zinc/23/24/62/608232462.db2.gz OJANVPHQHLJIRM-UHFFFAOYSA-N -1 3 294.362 3.017 20 0 CGADHM COc1ccc(N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826210458 609161319 /nfs/dbraw/zinc/16/13/19/609161319.db2.gz SHRMNTOLFJLINW-LLVKDONJSA-N -1 3 295.346 3.048 20 0 CGADHM COc1ccc(N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826210458 609161320 /nfs/dbraw/zinc/16/13/20/609161320.db2.gz SHRMNTOLFJLINW-LLVKDONJSA-N -1 3 295.346 3.048 20 0 CGADHM Cc1cc(F)ccc1N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826268648 609267775 /nfs/dbraw/zinc/26/77/75/609267775.db2.gz HLMDIDWGFFRJDO-NSHDSACASA-N -1 3 297.337 3.487 20 0 CGADHM Cc1cc(F)ccc1N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826268648 609267776 /nfs/dbraw/zinc/26/77/76/609267776.db2.gz HLMDIDWGFFRJDO-NSHDSACASA-N -1 3 297.337 3.487 20 0 CGADHM Cc1ccc([C@H](C)Nc2nccc(C)c2-c2nnn[n-]2)cc1 ZINC000826283858 609537527 /nfs/dbraw/zinc/53/75/27/609537527.db2.gz CRIHOWWQTAAMHR-LBPRGKRZSA-N -1 3 294.362 3.052 20 0 CGADHM Cc1ccc([C@H](C)Nc2nccc(C)c2-c2nn[n-]n2)cc1 ZINC000826283858 609537528 /nfs/dbraw/zinc/53/75/28/609537528.db2.gz CRIHOWWQTAAMHR-LBPRGKRZSA-N -1 3 294.362 3.052 20 0 CGADHM CC(C)n1ccc(CC(=O)Nc2cc(Cl)ccc2[O-])n1 ZINC000076317426 617757096 /nfs/dbraw/zinc/75/70/96/617757096.db2.gz UAXQVKGVLBFNIR-UHFFFAOYSA-N -1 3 293.754 3.004 20 0 CGADHM CC(C)C[C@](C)(CNCc1csc(C2CC2)n1)C(=O)[O-] ZINC000900053249 620753424 /nfs/dbraw/zinc/75/34/24/620753424.db2.gz CXIDOOFKRSYJRJ-OAHLLOKOSA-N -1 3 296.436 3.247 20 0 CGADHM CC[C@]1(C(=O)[O-])CCCN(Cc2ccsc2Cl)C1 ZINC000308346373 618210925 /nfs/dbraw/zinc/21/09/25/618210925.db2.gz AXOCUAMAGBIWQS-ZDUSSCGKSA-N -1 3 287.812 3.478 20 0 CGADHM CCc1cccc(C(=O)N2CCc3cc(C)ccc32)c1[O-] ZINC000091103348 618480507 /nfs/dbraw/zinc/48/05/07/618480507.db2.gz SCDLPIYWBXSZOY-UHFFFAOYSA-N -1 3 281.355 3.466 20 0 CGADHM O=c1cc(N2CCC(c3cc4ccccc4[nH]3)CC2)nc[n-]1 ZINC000892096568 618527607 /nfs/dbraw/zinc/52/76/07/618527607.db2.gz WOVLKWMKRDTCIG-UHFFFAOYSA-N -1 3 294.358 3.048 20 0 CGADHM CCOc1cc(C=Cc2n[nH]cc2C=O)cc(Cl)c1[O-] ZINC000255750038 618785120 /nfs/dbraw/zinc/78/51/20/618785120.db2.gz XVZIDUOOFQYMEN-ARJAWSKDSA-N -1 3 292.722 3.150 20 0 CGADHM CC(C)(C)SCCOc1ccc2c([O-])coc2c1 ZINC000310693779 618843470 /nfs/dbraw/zinc/84/34/70/618843470.db2.gz YOKUNSVHGCPXDW-UHFFFAOYSA-N -1 3 266.362 3.172 20 0 CGADHM O=C([O-])c1occc1CN[C@H]1CCCc2ccccc21 ZINC000236476780 618857540 /nfs/dbraw/zinc/85/75/40/618857540.db2.gz VZLPGVQFLFZMLB-AWEZNQCLSA-N -1 3 271.316 3.145 20 0 CGADHM O=C(C[C@H]1CCc2ccccc21)[N-]OCCC(F)(F)F ZINC000162796049 618882802 /nfs/dbraw/zinc/88/28/02/618882802.db2.gz ASKWZKBJAUXFTF-LLVKDONJSA-N -1 3 287.281 3.107 20 0 CGADHM CC[C@H](COC(=O)c1cccc2[n-]c(C(F)F)nc21)OC ZINC000924085936 618940723 /nfs/dbraw/zinc/94/07/23/618940723.db2.gz YJHWQBNLXVDLRK-MRVPVSSYSA-N -1 3 298.289 3.082 20 0 CGADHM C[C@H](C1CC1)n1cc(NCc2ccc([O-])c(F)c2)cn1 ZINC000893700434 619288882 /nfs/dbraw/zinc/28/88/82/619288882.db2.gz MHXHNTOHKWBZQE-SNVBAGLBSA-N -1 3 275.327 3.311 20 0 CGADHM Cc1coc(CN2CCC(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000893917647 619332406 /nfs/dbraw/zinc/33/24/06/619332406.db2.gz DGOYPFHLDFDJTQ-UHFFFAOYSA-N -1 3 299.370 3.389 20 0 CGADHM COc1ccc(C(=O)N[C@@H](C)c2ccc(C)s2)c([O-])c1 ZINC000048743246 619551795 /nfs/dbraw/zinc/55/17/95/619551795.db2.gz YWLNWIJZRJWIMV-JTQLQIEISA-N -1 3 291.372 3.262 20 0 CGADHM COc1ccc(CN2CCCC[C@H]2CCC(=O)[O-])c(F)c1 ZINC000228613039 619722565 /nfs/dbraw/zinc/72/25/65/619722565.db2.gz AMINLGBQANJRFW-ZDUSSCGKSA-N -1 3 295.354 3.054 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)CC1CC(OC(C)(C)C)C1 ZINC000794844035 619776228 /nfs/dbraw/zinc/77/62/28/619776228.db2.gz WIMPXANFQGAQGP-HIFPTAJRSA-N -1 3 271.401 3.064 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)CCCOc1ccc(C)cc1 ZINC000794870073 619778829 /nfs/dbraw/zinc/77/88/29/619778829.db2.gz KLMGFLKQPAEDCV-ZDUSSCGKSA-N -1 3 279.380 3.248 20 0 CGADHM COCc1cc(NCc2ccc([O-])c(F)c2)ccc1OC ZINC000895784025 619885490 /nfs/dbraw/zinc/88/54/90/619885490.db2.gz YGHBXTJLQHXZLN-UHFFFAOYSA-N -1 3 291.322 3.298 20 0 CGADHM C[C@H]1C[C@@H](NC(=O)c2cc3sccc3c([O-])c2)CS1 ZINC000840511024 619935112 /nfs/dbraw/zinc/93/51/12/619935112.db2.gz SJUUMARPMRRGCD-WCBMZHEXSA-N -1 3 293.413 3.231 20 0 CGADHM Cc1[n-]n(Cc2ccc(Cl)cc2)c(=O)c1C(C)C ZINC000109362650 620281582 /nfs/dbraw/zinc/28/15/82/620281582.db2.gz JVYKYMBCCHTCDS-ZDUSSCGKSA-N -1 3 264.756 3.330 20 0 CGADHM C[C@@H]1C[C@@H](C(=O)[O-])CN(Cc2cc(F)cc(Cl)c2)C1 ZINC000263099202 620291505 /nfs/dbraw/zinc/29/15/05/620291505.db2.gz WHNGDFZCARYQOV-MWLCHTKSSA-N -1 3 285.746 3.022 20 0 CGADHM Cc1cnc(CNCc2c([O-])ccc(Cl)c2F)s1 ZINC000191213606 620372756 /nfs/dbraw/zinc/37/27/56/620372756.db2.gz XAHVIIDABDFVRN-UHFFFAOYSA-N -1 3 286.759 3.239 20 0 CGADHM CC(C)c1cncc(NC(=O)c2[n-]cnc2C(F)(F)F)c1 ZINC000888237211 620538236 /nfs/dbraw/zinc/53/82/36/620538236.db2.gz WOVZPURYEOBAKF-UHFFFAOYSA-N -1 3 298.268 3.199 20 0 CGADHM CC(C)c1cncc(NC(=O)c2nc[n-]c2C(F)(F)F)c1 ZINC000888237211 620538238 /nfs/dbraw/zinc/53/82/38/620538238.db2.gz WOVZPURYEOBAKF-UHFFFAOYSA-N -1 3 298.268 3.199 20 0 CGADHM CC(C)(C)CC(=O)[N-]OCCCOCc1ccccc1 ZINC000842061040 620571858 /nfs/dbraw/zinc/57/18/58/620571858.db2.gz HYIGNXXIWYKETF-UHFFFAOYSA-N -1 3 279.380 3.077 20 0 CGADHM C[C@H](CN(C)Cc1cnc(-c2cccs2)s1)C(=O)[O-] ZINC000901598502 620949527 /nfs/dbraw/zinc/94/95/27/620949527.db2.gz WQEHXBBGGKVOPC-SECBINFHSA-N -1 3 296.417 3.024 20 0 CGADHM Cc1cc(CN2Cc3ccccc3[C@@H](C(=O)[O-])C2)c(C)o1 ZINC000901626694 620955668 /nfs/dbraw/zinc/95/56/68/620955668.db2.gz DIKYMKZLQVQZDP-INIZCTEOSA-N -1 3 285.343 3.080 20 0 CGADHM O=C([O-])c1cccc(CN[C@H](c2cccs2)C2CC2)n1 ZINC000902082442 621129364 /nfs/dbraw/zinc/12/93/64/621129364.db2.gz CGPMEGSPDUTRGO-AWEZNQCLSA-N -1 3 288.372 3.082 20 0 CGADHM Cc1ccc(C(=O)N2C[C@@H]3C[C@]3(c3ccccc3)C2)c([O-])c1 ZINC000927302548 621189551 /nfs/dbraw/zinc/18/95/51/621189551.db2.gz JNVCMWOGSNKJNN-HNAYVOBHSA-N -1 3 293.366 3.114 20 0 CGADHM CC[C@@H]1C[C@H]1CSc1nc(=O)cc([O-])n1C1CCCC1 ZINC000902207007 621194480 /nfs/dbraw/zinc/19/44/80/621194480.db2.gz KUWXDEFSHFYGHV-MNOVXSKESA-N -1 3 294.420 3.202 20 0 CGADHM CC1(C)C[C@H](NCc2ccc(C(=O)[O-])o2)c2ccccc21 ZINC000902264251 621217429 /nfs/dbraw/zinc/21/74/29/621217429.db2.gz WKHZMJJNSAXFGU-AWEZNQCLSA-N -1 3 285.343 3.490 20 0 CGADHM COC[C@H](N[C@H](C)CCCC(C)(C)C(=O)[O-])c1ccco1 ZINC000902273634 621236972 /nfs/dbraw/zinc/23/69/72/621236972.db2.gz SLBAAKLTXTZWJS-OLZOCXBDSA-N -1 3 297.395 3.226 20 0 CGADHM O=C([O-])CC1CCC(N[C@@H]2C[C@]2(F)c2ccccc2)CC1 ZINC000902339510 621252548 /nfs/dbraw/zinc/25/25/48/621252548.db2.gz ACFFTNOHJKVNHN-BDKZHOIZSA-N -1 3 291.366 3.247 20 0 CGADHM C[C@H]1CCc2ccccc2[C@H]1NCc1cccc(C(=O)[O-])n1 ZINC000902337290 621272149 /nfs/dbraw/zinc/27/21/49/621272149.db2.gz LPIMYUVIDCWALG-SJCJKPOMSA-N -1 3 296.370 3.193 20 0 CGADHM Cc1oc(CN[C@@H]2C[C@H]2C2CCCCC2)cc1C(=O)[O-] ZINC000902425162 621313439 /nfs/dbraw/zinc/31/34/39/621313439.db2.gz WIEOTDAGLUDVRX-LSDHHAIUSA-N -1 3 277.364 3.345 20 0 CGADHM Cc1cccc2c1CCC[C@@H]2NCc1ccoc1C(=O)[O-] ZINC000902467217 621338608 /nfs/dbraw/zinc/33/86/08/621338608.db2.gz UQSQHCSPDCPQMU-HNNXBMFYSA-N -1 3 285.343 3.453 20 0 CGADHM CCc1onc(C)c1COc1ccc2c([O-])coc2c1C ZINC000902776885 621436215 /nfs/dbraw/zinc/43/62/15/621436215.db2.gz RWSYUMMFAUQYJP-UHFFFAOYSA-N -1 3 287.315 3.008 20 0 CGADHM Cc1ccc(F)c(CN2CCCC[C@H]2CCC(=O)[O-])c1F ZINC000903407547 621731445 /nfs/dbraw/zinc/73/14/45/621731445.db2.gz IKRMBKXSQAUENA-LBPRGKRZSA-N -1 3 297.345 3.493 20 0 CGADHM COc1cccc(C(F)(F)C(=O)[N-]c2onc(C)c2C)c1 ZINC000903633412 621781319 /nfs/dbraw/zinc/78/13/19/621781319.db2.gz QUMISTCWVRFVLC-UHFFFAOYSA-N -1 3 296.273 3.031 20 0 CGADHM CN(CCC1(C(=O)[O-])CCC1)Cc1ccc(F)cc1F ZINC000903697032 621791159 /nfs/dbraw/zinc/79/11/59/621791159.db2.gz PNFJRBRUSWDANL-UHFFFAOYSA-N -1 3 283.318 3.042 20 0 CGADHM CC[C@H](CNCc1csc(-c2cccs2)n1)C(=O)[O-] ZINC000903705255 621794080 /nfs/dbraw/zinc/79/40/80/621794080.db2.gz SEVYGIUXCUIHSD-SECBINFHSA-N -1 3 296.417 3.072 20 0 CGADHM CCc1ccc(-c2nc([C@H](C)[C@@H]3CCCO3)no2)c([O-])c1 ZINC000903819847 621815408 /nfs/dbraw/zinc/81/54/08/621815408.db2.gz LFJQWRXGLWHLHM-YGRLFVJLSA-N -1 3 288.347 3.287 20 0 CGADHM O=C([O-])c1cncc(CN2CCC[C@H]2c2ccccc2)c1 ZINC000903885006 621826573 /nfs/dbraw/zinc/82/65/73/621826573.db2.gz GKKUDRKTNUQTMT-INIZCTEOSA-N -1 3 282.343 3.117 20 0 CGADHM O=C([O-])c1cncc(CN2CCC[C@@H]2c2ccccc2)c1 ZINC000903885007 621826970 /nfs/dbraw/zinc/82/69/70/621826970.db2.gz GKKUDRKTNUQTMT-MRXNPFEDSA-N -1 3 282.343 3.117 20 0 CGADHM C[C@H]1CSCCCN1Cc1cccc(C(=O)[O-])c1Cl ZINC000903958303 621837125 /nfs/dbraw/zinc/83/71/25/621837125.db2.gz ZCTHIHRYHUHHKS-JTQLQIEISA-N -1 3 299.823 3.366 20 0 CGADHM CN(Cc1nc(-c2ccc([O-])cc2F)no1)CC(C)(C)C ZINC000904051374 621860137 /nfs/dbraw/zinc/86/01/37/621860137.db2.gz RWNUPMZTYBXPRA-UHFFFAOYSA-N -1 3 293.342 3.059 20 0 CGADHM CCCCN([O-])C(=O)Nc1cnn(C2CCCC2)c1 ZINC000904205289 621889662 /nfs/dbraw/zinc/88/96/62/621889662.db2.gz FZABTSMQIPBHHA-UHFFFAOYSA-N -1 3 266.345 3.021 20 0 CGADHM Cc1ccccc1-c1noc(Cc2ccc([O-])c(F)c2)n1 ZINC000904565014 621938445 /nfs/dbraw/zinc/93/84/45/621938445.db2.gz NYHJPZANGRCFNI-UHFFFAOYSA-N -1 3 284.290 3.481 20 0 CGADHM O=C([O-])[C@H](NC/C=C/Cl)c1cccc(C(F)(F)F)c1 ZINC000905403139 622067128 /nfs/dbraw/zinc/06/71/28/622067128.db2.gz LEFGNISSBLGVSK-JYBNPQIESA-N -1 3 293.672 3.173 20 0 CGADHM Cc1cc(F)ccc1[C@@H](C)NCc1ccoc1C(=O)[O-] ZINC000905728874 622101775 /nfs/dbraw/zinc/10/17/75/622101775.db2.gz SJSOVSULFVNZIS-SNVBAGLBSA-N -1 3 277.295 3.276 20 0 CGADHM COc1ccc([C@@H](C)NCc2ccoc2C(=O)[O-])cc1C ZINC000905769279 622109060 /nfs/dbraw/zinc/10/90/60/622109060.db2.gz DWFREDLENVIMJK-LLVKDONJSA-N -1 3 289.331 3.146 20 0 CGADHM CC(C)Cc1ncc(C(=O)[N-]c2ccnc(F)c2F)s1 ZINC000906058963 622143919 /nfs/dbraw/zinc/14/39/19/622143919.db2.gz TUQAVMMLLTXMDT-UHFFFAOYSA-N -1 3 297.330 3.267 20 0 CGADHM Cc1ccc(C(=O)N2CC=CC23CCCC3)c([O-])c1 ZINC000913202328 622742615 /nfs/dbraw/zinc/74/26/15/622742615.db2.gz AFAAIJXZYIFAGI-UHFFFAOYSA-N -1 3 257.333 3.025 20 0 CGADHM CCO[C@H](c1noc(-c2cccc(OC)c2[O-])n1)C(C)C ZINC000157407976 622901956 /nfs/dbraw/zinc/90/19/56/622901956.db2.gz MHKHDEJIBQAXRC-ZDUSSCGKSA-N -1 3 292.335 3.184 20 0 CGADHM Cc1cccc(OCCCC(=O)[N-]OCc2ccccc2)c1 ZINC000061509243 623149695 /nfs/dbraw/zinc/14/96/95/623149695.db2.gz XCCGJQHQOORPJY-UHFFFAOYSA-N -1 3 299.370 3.402 20 0 CGADHM CCCCCC[C@@H](C)C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000173200967 623312769 /nfs/dbraw/zinc/31/27/69/623312769.db2.gz QTZZZKNINHHFDO-MRVPVSSYSA-N -1 3 292.305 3.369 20 0 CGADHM CCCCCC[C@@H](C)C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000173200967 623312775 /nfs/dbraw/zinc/31/27/75/623312775.db2.gz QTZZZKNINHHFDO-MRVPVSSYSA-N -1 3 292.305 3.369 20 0 CGADHM CC(C)CO[N-]C(=O)CCCc1ccc(Cl)cc1 ZINC000153422802 623881610 /nfs/dbraw/zinc/88/16/10/623881610.db2.gz CMGWEAHNVXFNGK-UHFFFAOYSA-N -1 3 269.772 3.367 20 0 CGADHM COc1ccc([O-])c(C(=O)N(C)c2ccc(C)c(C)c2)c1 ZINC000917805126 624313646 /nfs/dbraw/zinc/31/36/46/624313646.db2.gz JNJNIGIPFPHPGW-UHFFFAOYSA-N -1 3 285.343 3.294 20 0 CGADHM [O-]c1ccc(Cl)cc1/C=N/[C@H]1CCCOCC1 ZINC000182699201 625027090 /nfs/dbraw/zinc/02/70/90/625027090.db2.gz BPZCKBVPZPCSNC-DGGAMASNSA-N -1 3 253.729 3.034 20 0 CGADHM N#CC1(COC(=O)c2cc(Cl)c(Cl)[n-]2)CCC1 ZINC000183871214 625158083 /nfs/dbraw/zinc/15/80/83/625158083.db2.gz FRKYXJOREQKNQM-UHFFFAOYSA-N -1 3 273.119 3.172 20 0 CGADHM CCON(Cc1ccccc1)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000839030240 626299878 /nfs/dbraw/zinc/29/98/78/626299878.db2.gz PKQUJCPVFUXXQI-UHFFFAOYSA-N -1 3 299.374 3.013 20 0 CGADHM Cc1c2ccccc2oc1[C@H](C)NCc1nc(C)cc(=O)[n-]1 ZINC000754625663 626579467 /nfs/dbraw/zinc/57/94/67/626579467.db2.gz OXFPFGOCYYOGDS-LBPRGKRZSA-N -1 3 297.358 3.396 20 0 CGADHM CCC(C)(C)CC(=O)[N-]OCc1ccc(F)cc1 ZINC000754715437 626584213 /nfs/dbraw/zinc/58/42/13/626584213.db2.gz BBHNJSWOTPUPQW-UHFFFAOYSA-N -1 3 253.317 3.200 20 0 CGADHM CC[C@@H](C)c1ccc(C(=O)Nc2n[n-]c(SC)n2)cc1 ZINC000755261180 626610406 /nfs/dbraw/zinc/61/04/06/626610406.db2.gz KGURAOXOTDJNJX-SECBINFHSA-N -1 3 290.392 3.292 20 0 CGADHM CCCCC[C@@H](C(=O)[N-]O[C@H]1CCCCO1)C(C)C ZINC000755281732 626611917 /nfs/dbraw/zinc/61/19/17/626611917.db2.gz UZUCGQYHKVOELN-KGLIPLIRSA-N -1 3 271.401 3.413 20 0 CGADHM Cc1ccc(-c2cc(C(=O)O[C@@H](C)c3ccncc3)n[n-]2)o1 ZINC000757685895 626800790 /nfs/dbraw/zinc/80/07/90/626800790.db2.gz BFHSOXKNOZWIEQ-NSHDSACASA-N -1 3 297.314 3.291 20 0 CGADHM Cc1ccc(-c2cc(C(=O)O[C@@H](C)c3ccncc3)[n-]n2)o1 ZINC000757685895 626800793 /nfs/dbraw/zinc/80/07/93/626800793.db2.gz BFHSOXKNOZWIEQ-NSHDSACASA-N -1 3 297.314 3.291 20 0 CGADHM Cc1sc(Cl)nc1C(=O)Nc1cc(F)ccc1[O-] ZINC000762894610 627130869 /nfs/dbraw/zinc/13/08/69/627130869.db2.gz XXGNPMYZEMCIGG-UHFFFAOYSA-N -1 3 286.715 3.202 20 0 CGADHM COc1ccc(C=Cc2nccc(=O)[n-]2)c(Cl)c1 ZINC000764443784 627208093 /nfs/dbraw/zinc/20/80/93/627208093.db2.gz XWAKIIAUHPIIQD-HWKANZROSA-N -1 3 262.696 3.015 20 0 CGADHM Cc1cc(=O)[n-]c(CSc2nc(-c3ccccc3)co2)n1 ZINC000767107712 627383363 /nfs/dbraw/zinc/38/33/63/627383363.db2.gz BXWBLWPFIGMQEN-UHFFFAOYSA-N -1 3 299.355 3.438 20 0 CGADHM CC(C)c1ccc(C[C@H](C)[N-]C(=O)C(F)(F)F)cc1 ZINC000767145759 627385469 /nfs/dbraw/zinc/38/54/69/627385469.db2.gz ZCSOPWJKVFCZGS-JTQLQIEISA-N -1 3 273.298 3.420 20 0 CGADHM Cc1noc(C2CC2)c1[N-]C(=O)c1ccnc(Cl)c1F ZINC000768430444 627479534 /nfs/dbraw/zinc/47/95/34/627479534.db2.gz JDQWIZUJSQBDBA-UHFFFAOYSA-N -1 3 295.701 3.300 20 0 CGADHM Cc1nccnc1[C@@H](C)NC(=O)c1ccc(C(C)C)cc1[O-] ZINC000874662799 634584660 /nfs/dbraw/zinc/58/46/60/634584660.db2.gz QWJWTCBZHJMBJH-GFCCVEGCSA-N -1 3 299.374 3.105 20 0 CGADHM O=c1ccnc(C=Cc2ncc(-c3ccccc3)s2)[n-]1 ZINC000770572034 627627480 /nfs/dbraw/zinc/62/74/80/627627480.db2.gz LBZQRKALLZOHEK-VOTSOKGWSA-N -1 3 281.340 3.476 20 0 CGADHM Cc1cc(C)c(C)c(OCCC(=O)[N-]OC2CCCC2)c1 ZINC000774861697 628041848 /nfs/dbraw/zinc/04/18/48/628041848.db2.gz ANLMXOQTCOCOMI-UHFFFAOYSA-N -1 3 291.391 3.371 20 0 CGADHM C[C@@H]1C[C@@H](COC(=O)c2cc(Cl)c(Cl)[n-]2)CCO1 ZINC000778368734 628344378 /nfs/dbraw/zinc/34/43/78/628344378.db2.gz KIWCLYZOBAWXIN-SFYZADRCSA-N -1 3 292.162 3.293 20 0 CGADHM O=C1[N-]C(=O)C(=Cc2cc(Cl)sc2Cl)S1 ZINC000874930195 634655862 /nfs/dbraw/zinc/65/58/62/634655862.db2.gz YAFWFTKHGUGSKH-RJRFIUFISA-N -1 3 280.157 3.379 20 0 CGADHM CC1(C)CCC[C@@H](NC(=O)c2nnc3ccccc3c2[O-])C1 ZINC000785599765 628873492 /nfs/dbraw/zinc/87/34/92/628873492.db2.gz WDRYAKHRPXAZMK-LLVKDONJSA-N -1 3 299.374 3.034 20 0 CGADHM Cc1ccc(CCOC(=O)c2cc3occc3[n-]2)cc1 ZINC000786030429 628908834 /nfs/dbraw/zinc/90/88/34/628908834.db2.gz PVIRTJSIAGWSCH-UHFFFAOYSA-N -1 3 269.300 3.469 20 0 CGADHM O=C(OCc1cc(-c2ccco2)on1)c1cc2occc2[n-]1 ZINC000786031019 628908884 /nfs/dbraw/zinc/90/88/84/628908884.db2.gz GKLYOKXNJVGMBT-UHFFFAOYSA-N -1 3 298.254 3.366 20 0 CGADHM COCC[C@H](C)OC(=O)c1cc2sccc2c([O-])c1 ZINC000786130762 628915912 /nfs/dbraw/zinc/91/59/12/628915912.db2.gz IPSHAVBQXAYOGL-VIFPVBQESA-N -1 3 280.345 3.189 20 0 CGADHM O=C(OC[C@H]1CCCOC1)c1cc2sccc2c([O-])c1 ZINC000786131284 628915974 /nfs/dbraw/zinc/91/59/74/628915974.db2.gz OOGIXMPWJCVUEK-JTQLQIEISA-N -1 3 292.356 3.190 20 0 CGADHM CC(C)CC(=O)COC(=O)CCCc1ccc([O-])c(F)c1 ZINC000787847576 629032763 /nfs/dbraw/zinc/03/27/63/629032763.db2.gz HLKQIWMBFMOAMS-UHFFFAOYSA-N -1 3 296.338 3.012 20 0 CGADHM C[C@@H](NC(=O)c1cc2sccc2c([O-])c1)c1ccccn1 ZINC000788269782 629043800 /nfs/dbraw/zinc/04/38/00/629043800.db2.gz HSHVBNDIECZXBC-SNVBAGLBSA-N -1 3 298.367 3.493 20 0 CGADHM O=C(NC1CCCC1)c1cc2sccc2c([O-])c1 ZINC000788264865 629043832 /nfs/dbraw/zinc/04/38/32/629043832.db2.gz OEUBKPFHYSTUHD-UHFFFAOYSA-N -1 3 261.346 3.279 20 0 CGADHM Cc1ccc(-c2cc(C(=O)OCc3cc(C)ccn3)n[n-]2)o1 ZINC000791334708 629268010 /nfs/dbraw/zinc/26/80/10/629268010.db2.gz VMVBSXLHQQBUDA-UHFFFAOYSA-N -1 3 297.314 3.039 20 0 CGADHM Cc1ccc(-c2cc(C(=O)OCc3cc(C)ccn3)[n-]n2)o1 ZINC000791334708 629268012 /nfs/dbraw/zinc/26/80/12/629268012.db2.gz VMVBSXLHQQBUDA-UHFFFAOYSA-N -1 3 297.314 3.039 20 0 CGADHM CSCCCCCCC(=O)[N-]OCC1CCC1 ZINC000862232570 629327805 /nfs/dbraw/zinc/32/78/05/629327805.db2.gz CEVCWZVHXVBPQC-UHFFFAOYSA-N -1 3 259.415 3.148 20 0 CGADHM C[C@@H]1CCN(C(=O)c2cc([O-])c3ccccc3c2)C[C@@H]1F ZINC000792304260 629355185 /nfs/dbraw/zinc/35/51/85/629355185.db2.gz VUZINCWPHPJWFB-ABAIWWIYSA-N -1 3 287.334 3.366 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)CCC(=O)c1ccc(Cl)cc1 ZINC000794852863 629588585 /nfs/dbraw/zinc/58/85/85/629588585.db2.gz OTESOMSNGRHVNU-LLVKDONJSA-N -1 3 297.782 3.397 20 0 CGADHM CN(C)c1cc(F)cc(NCc2c(F)ccc([O-])c2F)c1 ZINC000864016643 629727452 /nfs/dbraw/zinc/72/74/52/629727452.db2.gz HAAQRYJFZKSIOU-UHFFFAOYSA-N -1 3 296.292 3.488 20 0 CGADHM CC(C)=CC[C@H](NCc1c(F)cccc1Cl)C(=O)[O-] ZINC000864527982 629855019 /nfs/dbraw/zinc/85/50/19/629855019.db2.gz KVYKMZAMYGBYEO-ZDUSSCGKSA-N -1 3 285.746 3.378 20 0 CGADHM CCc1csc(S[C@H](C)c2nc(C)cc(=O)[n-]2)n1 ZINC000865387017 630094570 /nfs/dbraw/zinc/09/45/70/630094570.db2.gz OJDXXWHKINNPIJ-MRVPVSSYSA-N -1 3 281.406 3.363 20 0 CGADHM CC[C@@H](CC(=O)[N-]OCc1ccccc1OC)C(C)C ZINC000799095701 630142061 /nfs/dbraw/zinc/14/20/61/630142061.db2.gz GKKBESRCLUJWFG-ZDUSSCGKSA-N -1 3 279.380 3.315 20 0 CGADHM CCOC1CC(COC(=O)c2cc(Cl)c(Cl)[n-]2)C1 ZINC000802943604 630434445 /nfs/dbraw/zinc/43/44/45/630434445.db2.gz GNRMPOGNKCYKCK-UHFFFAOYSA-N -1 3 292.162 3.293 20 0 CGADHM COc1ccc(Cl)cc1C=Cc1nc(C)cc(=O)[n-]1 ZINC000806574602 630568616 /nfs/dbraw/zinc/56/86/16/630568616.db2.gz SKKOFMGBYBDVMN-UTCJRWHESA-N -1 3 276.723 3.323 20 0 CGADHM CC1(C)CC[C@@H](OC(=O)c2cc(Cl)c(Cl)[n-]2)C1=O ZINC000840196937 630867657 /nfs/dbraw/zinc/86/76/57/630867657.db2.gz QAVJVLSTDASCHE-MRVPVSSYSA-N -1 3 290.146 3.236 20 0 CGADHM COC[C@H](C)COC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000810680381 630926413 /nfs/dbraw/zinc/92/64/13/630926413.db2.gz NDZHXWGSHZYKIS-ZETCQYMHSA-N -1 3 287.768 3.322 20 0 CGADHM C[C@@H]1OCC[C@H]1COC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000810873814 630969957 /nfs/dbraw/zinc/96/99/57/630969957.db2.gz WGCGYHGEBAZYCW-YUMQZZPRSA-N -1 3 299.779 3.465 20 0 CGADHM CCCCc1ccc(CC(=O)[N-]OC/C=C/Cl)cc1 ZINC000812399462 631244070 /nfs/dbraw/zinc/24/40/70/631244070.db2.gz PBYAJCBDIHYUMC-ONNFQVAWSA-N -1 3 281.783 3.372 20 0 CGADHM Cc1ccc(CCCC(=O)[N-]OC/C=C\Cl)s1 ZINC000812402916 631245126 /nfs/dbraw/zinc/24/51/26/631245126.db2.gz YJUGDOREJPIIOC-BAQGIRSFSA-N -1 3 273.785 3.180 20 0 CGADHM C[C@H](CC(=O)[N-]OC/C=C/Cl)C1CCCCC1 ZINC000812403064 631246486 /nfs/dbraw/zinc/24/64/86/631246486.db2.gz NBSHNPVNDMLIHF-AYLMVEPYSA-N -1 3 259.777 3.393 20 0 CGADHM Cc1ccc(C(=O)CCCC(=O)[N-]OC/C=C/Cl)cc1 ZINC000812404771 631247183 /nfs/dbraw/zinc/24/71/83/631247183.db2.gz KMLOZANALJZBGW-XCVCLJGOSA-N -1 3 295.766 3.148 20 0 CGADHM Cc1ccc2c(CCC(=O)[N-]OC/C=C\Cl)c[nH]c2c1 ZINC000812405275 631247741 /nfs/dbraw/zinc/24/77/41/631247741.db2.gz UXHOQJXWSCTQSW-UQCOIBPSSA-N -1 3 292.766 3.209 20 0 CGADHM O=C(Cc1cccc(Cl)c1Cl)[N-]OC/C=C/Cl ZINC000812407115 631248470 /nfs/dbraw/zinc/24/84/70/631248470.db2.gz VYDKBEZKLAYLQG-GORDUTHDSA-N -1 3 294.565 3.336 20 0 CGADHM CC(F)(F)C(=O)[N-][C@H](c1nccs1)c1ccccc1 ZINC000815410350 631777455 /nfs/dbraw/zinc/77/74/55/631777455.db2.gz ZTDHQMYXRQMOKW-JTQLQIEISA-N -1 3 282.315 3.004 20 0 CGADHM O=C(OCC[C@H]1CCOC1)c1cc2cc(Cl)sc2[n-]1 ZINC000816436227 631976707 /nfs/dbraw/zinc/97/67/07/631976707.db2.gz GTKMMPXBONCTHC-MRVPVSSYSA-N -1 3 299.779 3.466 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)[C@H](c1ccccc1)N(CC)CC ZINC000816980338 632068515 /nfs/dbraw/zinc/06/85/15/632068515.db2.gz JKGKZSIYZGMIBC-ZBFHGGJFSA-N -1 3 292.423 3.163 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)[C@H](c1ccccc1)N(CC)CC ZINC000816980337 632068804 /nfs/dbraw/zinc/06/88/04/632068804.db2.gz JKGKZSIYZGMIBC-HOCLYGCPSA-N -1 3 292.423 3.163 20 0 CGADHM Cc1ccsc1CCCC(=O)[N-]OCCC1CC1 ZINC000817388051 632135997 /nfs/dbraw/zinc/13/59/97/632135997.db2.gz OXJTXWQMIAIOFC-UHFFFAOYSA-N -1 3 267.394 3.227 20 0 CGADHM Cc1ccc2c(CC(=O)[N-]OCCC3CC3)coc2c1C ZINC000817420819 632147604 /nfs/dbraw/zinc/14/76/04/632147604.db2.gz BIIRLHGWNBIVIU-UHFFFAOYSA-N -1 3 287.359 3.440 20 0 CGADHM C[C@@]1(C(=O)[N-]OCCC2CC2)CCc2ccccc2C1 ZINC000817441281 632159001 /nfs/dbraw/zinc/15/90/01/632159001.db2.gz BNTIENFEWYPYFH-QGZVFWFLSA-N -1 3 273.376 3.030 20 0 CGADHM Cc1cc([C@@H](C)NC(=O)c2ccc(N)cc2[O-])c(C)s1 ZINC000817918968 632234490 /nfs/dbraw/zinc/23/44/90/632234490.db2.gz NQXKWAMCTHMDIS-SECBINFHSA-N -1 3 290.388 3.144 20 0 CGADHM CC[C@@H](C)[C@H]1CCCCN1C(=O)c1ccc(N)cc1[O-] ZINC000817950824 632247046 /nfs/dbraw/zinc/24/70/46/632247046.db2.gz ZVFXWAUJSBTCTE-BXUZGUMPSA-N -1 3 276.380 3.015 20 0 CGADHM CCCO[N-]C(=O)C[C@H](CC)c1ccc(OC)cc1 ZINC000844085639 635818568 /nfs/dbraw/zinc/81/85/68/635818568.db2.gz IEJGQJIAUJORNI-LBPRGKRZSA-N -1 3 265.353 3.037 20 0 CGADHM O=C(N[C@@H]1C[C@H]2C[C@H]2C1)c1cc2sccc2c([O-])c1 ZINC000819799638 632517249 /nfs/dbraw/zinc/51/72/49/632517249.db2.gz WLDCAQDYCJHMKS-DOFRTFSJSA-N -1 3 273.357 3.135 20 0 CGADHM CCc1ccc(NC([O-])=NO[C@@H]2CCCCO2)cc1CC ZINC000121181757 633231536 /nfs/dbraw/zinc/23/15/36/633231536.db2.gz JYOJTTMMYCLRTA-OAHLLOKOSA-N -1 3 292.379 3.391 20 0 CGADHM CCc1ccc(NC(=O)[N-]O[C@@H]2CCCCO2)cc1CC ZINC000121181757 633231541 /nfs/dbraw/zinc/23/15/41/633231541.db2.gz JYOJTTMMYCLRTA-OAHLLOKOSA-N -1 3 292.379 3.391 20 0 CGADHM CCOC1CC2(C[C@H]2C(=O)Nc2c([O-])cccc2Cl)C1 ZINC000868567636 633336469 /nfs/dbraw/zinc/33/64/69/633336469.db2.gz PAMXMKJAKDLZNC-VOZQYIJBSA-N -1 3 295.766 3.189 20 0 CGADHM C/C(=C/CN1CCC(c2ccccc2F)CC1)C(=O)[O-] ZINC000825736127 633378391 /nfs/dbraw/zinc/37/83/91/633378391.db2.gz VKKSMPYUVRUDDI-SDQBBNPISA-N -1 3 277.339 3.036 20 0 CGADHM CSc1ccc(CCC(=O)[N-]OCC2CCC2)cc1 ZINC000826627639 633422208 /nfs/dbraw/zinc/42/22/08/633422208.db2.gz LCGKOTUCAQDETA-UHFFFAOYSA-N -1 3 279.405 3.189 20 0 CGADHM CC(C)CC1CCN(C(=O)Cc2ccc([O-])c(F)c2)CC1 ZINC000826937725 633444427 /nfs/dbraw/zinc/44/44/27/633444427.db2.gz KNRRUXOJBSSCPF-UHFFFAOYSA-N -1 3 293.382 3.359 20 0 CGADHM CSc1ccc([O-])c(C(=O)N[C@H]2CC[C@H](SC)C2)c1 ZINC000828931700 633669922 /nfs/dbraw/zinc/66/99/22/633669922.db2.gz ZSONKMACGJEGCK-UWVGGRQHSA-N -1 3 297.445 3.128 20 0 CGADHM C[C@H]1CCC[C@@]1(C)C(=O)[N-]OCCCC(F)(F)F ZINC000871215771 633729825 /nfs/dbraw/zinc/72/98/25/633729825.db2.gz GITRXUDAPRYPBV-GXSJLCMTSA-N -1 3 267.291 3.203 20 0 CGADHM CC[C@@H](C)N(OC)C(=O)c1cc2sccc2c([O-])c1 ZINC000830474525 633865656 /nfs/dbraw/zinc/86/56/56/633865656.db2.gz MOKGOPYSTGQAIX-SECBINFHSA-N -1 3 279.361 3.409 20 0 CGADHM CCC1(C(=O)[N-]OCc2cccnc2)CCC(F)(F)CC1 ZINC000830758014 633885082 /nfs/dbraw/zinc/88/50/82/633885082.db2.gz XZWXPQOULIKLPF-UHFFFAOYSA-N -1 3 298.333 3.235 20 0 CGADHM Cc1ccccc1[C@H](CO)N[C@H](C)c1cccc([O-])c1F ZINC000872039250 633959103 /nfs/dbraw/zinc/95/91/03/633959103.db2.gz FIWDXEPUWWKBKP-DOMZBBRYSA-N -1 3 289.350 3.224 20 0 CGADHM C[C@@H](NCc1ccccc1N(C)C)c1cccc([O-])c1F ZINC000872046099 633969582 /nfs/dbraw/zinc/96/95/82/633969582.db2.gz VBXYDIMRLCJXHN-GFCCVEGCSA-N -1 3 288.366 3.448 20 0 CGADHM C[C@H](NCc1ccccc1N(C)C)c1cccc([O-])c1F ZINC000872046100 633969807 /nfs/dbraw/zinc/96/98/07/633969807.db2.gz VBXYDIMRLCJXHN-LBPRGKRZSA-N -1 3 288.366 3.448 20 0 CGADHM Cc1ccncc1CN[C@@H](C)c1cccc([O-])c1F ZINC000872076709 633999136 /nfs/dbraw/zinc/99/91/36/633999136.db2.gz QINKUOKBQWPGRA-NSHDSACASA-N -1 3 260.312 3.086 20 0 CGADHM CC[C@H](N[C@H](C)c1cccc([O-])c1F)C(=O)OC(C)(C)C ZINC000872082667 634006799 /nfs/dbraw/zinc/00/67/99/634006799.db2.gz ZJQICBLNKBUUJQ-PWSUYJOCSA-N -1 3 297.370 3.302 20 0 CGADHM COc1cc(N[C@@H](C)c2cccc([O-])c2F)cnc1OC ZINC000872087015 634013150 /nfs/dbraw/zinc/01/31/50/634013150.db2.gz DRYRYPXWFGWOPP-VIFPVBQESA-N -1 3 292.310 3.117 20 0 CGADHM C[C@@H](N[C@H](C)c1cccc([O-])c1F)c1ccns1 ZINC000872089643 634015770 /nfs/dbraw/zinc/01/57/70/634015770.db2.gz BGONRALEBYPYPB-RKDXNWHRSA-N -1 3 266.341 3.400 20 0 CGADHM C[C@@H]1CN(Cc2cc(C(=O)[O-])cs2)C[C@H](C)C1(F)F ZINC000872160277 634070673 /nfs/dbraw/zinc/07/06/73/634070673.db2.gz CEGPKNLHRMBYGV-DTORHVGOSA-N -1 3 289.347 3.169 20 0 CGADHM C[C@@H](OC(=O)c1ccc([O-])cc1)C(=O)C1CCCCC1 ZINC000837336708 634890345 /nfs/dbraw/zinc/89/03/45/634890345.db2.gz GOUFDWGQZSZVMN-LLVKDONJSA-N -1 3 276.332 3.087 20 0 CGADHM CC(C)C[C@H](C)CC(=O)OCc1cc(=O)[n-]c(C2CC2)n1 ZINC000837500747 634920614 /nfs/dbraw/zinc/92/06/14/634920614.db2.gz UCTGFWLMDNNAKE-NSHDSACASA-N -1 3 292.379 3.175 20 0 CGADHM CCCOc1ccc(NCc2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC000841703672 635215938 /nfs/dbraw/zinc/21/59/38/635215938.db2.gz WPIQWSHFUFUPTQ-UHFFFAOYSA-N -1 3 299.374 3.461 20 0 CGADHM C[C@@]1(C(F)(F)F)CCN(Cc2c(F)ccc([O-])c2F)C1 ZINC000877812910 635218093 /nfs/dbraw/zinc/21/80/93/635218093.db2.gz USNFRQGHZMUTMU-GFCCVEGCSA-N -1 3 295.251 3.445 20 0 CGADHM Cc1ccc(CC(=O)[N-]OC[C@@H]2CCC(F)(F)C2)cc1 ZINC000842026164 635258972 /nfs/dbraw/zinc/25/89/72/635258972.db2.gz IKZZFEQDYALGRK-CYBMUJFWSA-N -1 3 283.318 3.021 20 0 CGADHM Cc1cncc(CO[N-]C(=O)CCC2CCCCC2)c1 ZINC000842029064 635259943 /nfs/dbraw/zinc/25/99/43/635259943.db2.gz WFYDWRQKTBYVAY-UHFFFAOYSA-N -1 3 276.380 3.298 20 0 CGADHM CC(C)(C)CC(=O)[N-]OCc1ccc(F)c(Cl)c1 ZINC000842060744 635270099 /nfs/dbraw/zinc/27/00/99/635270099.db2.gz CXPGCDBWGOWEBR-UHFFFAOYSA-N -1 3 273.735 3.463 20 0 CGADHM CC(C)(CC(=O)[N-]OCc1ccccc1)CC(F)F ZINC000878025651 635325261 /nfs/dbraw/zinc/32/52/61/635325261.db2.gz XFDVWZMLWRABFK-UHFFFAOYSA-N -1 3 271.307 3.306 20 0 CGADHM Cc1ccc(C2(NC(=O)c3ccc(N)cc3[O-])CCC2)cc1 ZINC000843513525 635684207 /nfs/dbraw/zinc/68/42/07/635684207.db2.gz GYTBSPPHTYNCOV-UHFFFAOYSA-N -1 3 296.370 3.092 20 0 CGADHM CCC/C(C)=C/C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000843886330 635791789 /nfs/dbraw/zinc/79/17/89/635791789.db2.gz NAKBTNUWKOGVSE-MDZDMXLPSA-N -1 3 261.321 3.280 20 0 CGADHM [O-]C(=NOCC1CCC1)N=c1s[nH]c2ccccc21 ZINC000879823694 635869138 /nfs/dbraw/zinc/86/91/38/635869138.db2.gz GKBLFTIMHPHMGF-UHFFFAOYSA-N -1 3 277.349 3.150 20 0 CGADHM O=C(N=c1s[nH]c2ccccc21)[N-]OCC1CCC1 ZINC000879823694 635869140 /nfs/dbraw/zinc/86/91/40/635869140.db2.gz GKBLFTIMHPHMGF-UHFFFAOYSA-N -1 3 277.349 3.150 20 0 CGADHM [O-]C(=NOC1CCCC1)N=c1s[nH]c2ccccc21 ZINC000879823360 635869385 /nfs/dbraw/zinc/86/93/85/635869385.db2.gz VNLZHJXRSYNXAI-UHFFFAOYSA-N -1 3 277.349 3.292 20 0 CGADHM C[C@@H](C(=O)[O-])[C@H](C)NCc1ncc(-c2ccccc2)s1 ZINC000846228906 636164451 /nfs/dbraw/zinc/16/44/51/636164451.db2.gz SKMRHIHXGUWFNZ-MNOVXSKESA-N -1 3 290.388 3.009 20 0 CGADHM C/C(=C\CN1CCc2c(cccc2C(C)C)C1)C(=O)[O-] ZINC000846259209 636169148 /nfs/dbraw/zinc/16/91/48/636169148.db2.gz MWCPDIVYNUDUOQ-NTUHNPAUSA-N -1 3 273.376 3.199 20 0 CGADHM F[C@H]1CCc2ccccc2[C@H]1[N-]c1nnc(C2CC2)o1 ZINC000882991601 636494401 /nfs/dbraw/zinc/49/44/01/636494401.db2.gz DRLDOWFSEBSNBG-QWHCGFSZSA-N -1 3 273.311 3.385 20 0 CGADHM O=c1ccnc(C=Cc2ccc(-c3ccccc3)o2)[n-]1 ZINC000131757757 636746538 /nfs/dbraw/zinc/74/65/38/636746538.db2.gz MCDCFNQHRDMYAG-VQHVLOKHSA-N -1 3 264.284 3.200 20 0 CGADHM O=C(OCc1cc(-c2ccccc2)on1)c1ccc([O-])cc1 ZINC000007099305 636872660 /nfs/dbraw/zinc/87/26/60/636872660.db2.gz METPLLBUBLEVKK-UHFFFAOYSA-N -1 3 295.294 3.404 20 0 CGADHM Cc1ccc(CCCOC(=O)c2cccc3nn[n-]c32)cc1 ZINC000800208626 636957242 /nfs/dbraw/zinc/95/72/42/636957242.db2.gz POQHCVRIFRCWJM-UHFFFAOYSA-N -1 3 295.342 3.056 20 0 CGADHM Cc1ccc(CCCOC(=O)c2cccc3[n-]nnc32)cc1 ZINC000800208626 636957254 /nfs/dbraw/zinc/95/72/54/636957254.db2.gz POQHCVRIFRCWJM-UHFFFAOYSA-N -1 3 295.342 3.056 20 0 CGADHM Cc1ccc(CCCOC(=O)c2cccc3n[n-]nc32)cc1 ZINC000800208626 636957260 /nfs/dbraw/zinc/95/72/60/636957260.db2.gz POQHCVRIFRCWJM-UHFFFAOYSA-N -1 3 295.342 3.056 20 0 CGADHM Cc1cccc([C@H](C)OC(=O)c2cccc3nn[n-]c32)c1 ZINC000800209641 636957741 /nfs/dbraw/zinc/95/77/41/636957741.db2.gz YPYHJJVRTXRZHY-NSHDSACASA-N -1 3 281.315 3.184 20 0 CGADHM Cc1cccc([C@H](C)OC(=O)c2cccc3[n-]nnc32)c1 ZINC000800209641 636957745 /nfs/dbraw/zinc/95/77/45/636957745.db2.gz YPYHJJVRTXRZHY-NSHDSACASA-N -1 3 281.315 3.184 20 0 CGADHM Cc1cccc([C@H](C)OC(=O)c2cccc3n[n-]nc32)c1 ZINC000800209641 636957748 /nfs/dbraw/zinc/95/77/48/636957748.db2.gz YPYHJJVRTXRZHY-NSHDSACASA-N -1 3 281.315 3.184 20 0 CGADHM O=C(Cc1ccc2c(c1)CCCC2)[N-]OC1CCCC1 ZINC000135142104 637091919 /nfs/dbraw/zinc/09/19/19/637091919.db2.gz BIOUGWCOOLMZLC-UHFFFAOYSA-N -1 3 273.376 3.098 20 0 CGADHM CCN(Cc1cc2ccccc2nc1Cl)[C@@H](C)C(=O)[O-] ZINC000852737338 637703337 /nfs/dbraw/zinc/70/33/37/637703337.db2.gz WPMDTNKOWWIZJB-JTQLQIEISA-N -1 3 292.766 3.183 20 0 CGADHM CCC1(CC)CCCN(C(=O)c2ccc(N)cc2[O-])C1 ZINC000852861387 637719200 /nfs/dbraw/zinc/71/92/00/637719200.db2.gz TXNLIMIWTRUFAF-UHFFFAOYSA-N -1 3 276.380 3.017 20 0 CGADHM CC[C@H](CO[N-]C(=O)CC(C)(C)C)CC(F)F ZINC000853705780 637896706 /nfs/dbraw/zinc/89/67/06/637896706.db2.gz DDHXPQPTVIJMHJ-VIFPVBQESA-N -1 3 251.317 3.152 20 0 CGADHM CC(=O)[C@@H]1CCCCN1C(=O)c1cc([O-])c2ccccc2c1 ZINC000854733202 638097103 /nfs/dbraw/zinc/09/71/03/638097103.db2.gz LZZJADHQRMRPPD-INIZCTEOSA-N -1 3 297.354 3.129 20 0 CGADHM COc1ccccc1[C@@H](C)CC(=O)[N-]OCC1CCC1 ZINC000856347449 638347552 /nfs/dbraw/zinc/34/75/52/638347552.db2.gz SJMZLCCPNOVFPB-LBPRGKRZSA-N -1 3 277.364 3.037 20 0 CGADHM O=C(NOCC1CCC1)c1cc2sccc2c([O-])c1 ZINC000856351840 638351230 /nfs/dbraw/zinc/35/12/30/638351230.db2.gz RHQYADCIJHSFPR-UHFFFAOYSA-N -1 3 277.345 3.068 20 0 CGADHM O=C(Cc1c[nH]c2cccc(Cl)c12)[N-]OCC1CCC1 ZINC000856351366 638351273 /nfs/dbraw/zinc/35/12/73/638351273.db2.gz FJOAUWINWGJYQM-UHFFFAOYSA-N -1 3 292.766 3.212 20 0 CGADHM CCCC[C@@H](C(=O)[N-]O[C@H]1CCCCO1)C(C)C ZINC000857089710 638456072 /nfs/dbraw/zinc/45/60/72/638456072.db2.gz BSEXLMKIUJNJGW-OLZOCXBDSA-N -1 3 257.374 3.023 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N[C@H](C)c2ccc(F)cc2C)n1 ZINC000932560280 639353254 /nfs/dbraw/zinc/35/32/54/639353254.db2.gz TVRIKOJSSGQQQT-NEPJUHHUSA-N -1 3 289.354 3.350 20 0 CGADHM CCc1cc(=O)[n-]c(CN[C@H](C)c2ccc(F)cc2C)n1 ZINC000932560385 639353878 /nfs/dbraw/zinc/35/38/78/639353878.db2.gz IYFAOXWNMBEQBS-LLVKDONJSA-N -1 3 289.354 3.043 20 0 CGADHM O=C([N-]OCc1cccnc1)C1(CCc2ccccc2)CC1 ZINC000935016254 639731619 /nfs/dbraw/zinc/73/16/19/639731619.db2.gz HHAKYJDAJFXHDB-UHFFFAOYSA-N -1 3 296.370 3.042 20 0 CGADHM O=C(Nc1ccc(Cl)cc1[O-])[C@@]12CCO[C@H]1CCCC2 ZINC000935099432 639748106 /nfs/dbraw/zinc/74/81/06/639748106.db2.gz JERQEBDVXUCWNG-ZFWWWQNUSA-N -1 3 295.766 3.333 20 0 CGADHM CC(C)(C)[C@H]1CCCN(Cc2cc(C(=O)[O-])no2)CC1 ZINC000079349622 640396308 /nfs/dbraw/zinc/39/63/08/640396308.db2.gz XEWLFIPSYFXNCS-NSHDSACASA-N -1 3 280.368 3.021 20 0 CGADHM CCc1cccc(S(=O)(=O)[N-]c2cccnc2Cl)c1 ZINC000080923841 640508476 /nfs/dbraw/zinc/50/84/76/640508476.db2.gz DAZPSWPEGFIRRY-UHFFFAOYSA-N -1 3 296.779 3.098 20 0 CGADHM CC(C)CCCCCC(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000081406155 640533348 /nfs/dbraw/zinc/53/33/48/640533348.db2.gz SIDBQTHEBBTGFP-UHFFFAOYSA-N -1 3 292.305 3.369 20 0 CGADHM CC(C)CCCCCC(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000081406155 640533352 /nfs/dbraw/zinc/53/33/52/640533352.db2.gz SIDBQTHEBBTGFP-UHFFFAOYSA-N -1 3 292.305 3.369 20 0 CGADHM Fc1c2nc(-c3cscn3)[n-]c2c(F)c(F)c1F ZINC001250665017 805752272 /nfs/dbraw/zinc/75/22/72/805752272.db2.gz LITZUZKMCDLWRN-UHFFFAOYSA-N -1 3 273.214 3.243 20 0 CGADHM COc1cccc([C@@H](O)CNc2cccc([O-])c2Cl)c1 ZINC001250720319 805764407 /nfs/dbraw/zinc/76/44/07/805764407.db2.gz JCBDOSXGYRKJML-AWEZNQCLSA-N -1 3 293.750 3.200 20 0 CGADHM COc1cccc2c1nc(-c1cc(F)ccc1[O-])n2C ZINC001250837943 805786397 /nfs/dbraw/zinc/78/63/97/805786397.db2.gz RBOSBAIBWMLPNS-UHFFFAOYSA-N -1 3 272.279 3.094 20 0 CGADHM CCCOc1ccc2nc(-c3ccncc3[O-])n(C)c2c1 ZINC001250857075 805787908 /nfs/dbraw/zinc/78/79/08/805787908.db2.gz CJKWIJHWHWIDDA-UHFFFAOYSA-N -1 3 283.331 3.130 20 0 CGADHM CCOc1ccc(-c2nnc(-c3c([O-])cccc3O)o2)cc1 ZINC001252050759 805980334 /nfs/dbraw/zinc/98/03/34/805980334.db2.gz UHELFOSMYBGQHP-UHFFFAOYSA-N -1 3 298.298 3.214 20 0 CGADHM Cc1cccc([O-])c1C(=O)NCCCc1ccsc1 ZINC001159887042 806191760 /nfs/dbraw/zinc/19/17/60/806191760.db2.gz YEEIZOJOLCGYAR-UHFFFAOYSA-N -1 3 275.373 3.125 20 0 CGADHM CCOc1ccc(C(=O)Nc2ccc(Cl)cc2[O-])cn1 ZINC001253712796 806282197 /nfs/dbraw/zinc/28/21/97/806282197.db2.gz PROIBKBEYGPBEJ-UHFFFAOYSA-N -1 3 292.722 3.092 20 0 CGADHM COc1cc(OC)cc(-c2nnc(-c3ccccc3[O-])o2)c1 ZINC001253822765 806313979 /nfs/dbraw/zinc/31/39/79/806313979.db2.gz NLCHLIXPKXCVKO-UHFFFAOYSA-N -1 3 298.298 3.126 20 0 CGADHM CCCc1nnc(-c2cc([O-])cc(C(F)(F)F)c2)o1 ZINC001254026628 806332537 /nfs/dbraw/zinc/33/25/37/806332537.db2.gz WGSXRAGWGVMAON-UHFFFAOYSA-N -1 3 272.226 3.414 20 0 CGADHM CCCCCc1cn(-c2ccc(Cl)cc2[O-])nn1 ZINC001254164901 806356970 /nfs/dbraw/zinc/35/69/70/806356970.db2.gz AKWLHSNSFWVZJB-UHFFFAOYSA-N -1 3 265.744 3.359 20 0 CGADHM [O-]c1ccc(-c2nnc(C3CCC3)o2)c2cccnc12 ZINC001255174979 806568735 /nfs/dbraw/zinc/56/87/35/806568735.db2.gz OVTFHEQWPXSAHY-UHFFFAOYSA-N -1 3 267.288 3.258 20 0 CGADHM O=C(CCc1cc(F)ccc1F)[N-]OCc1ccccc1 ZINC000053006161 798896629 /nfs/dbraw/zinc/89/66/29/798896629.db2.gz RZRLRUMOSRKYIJ-UHFFFAOYSA-N -1 3 291.297 3.145 20 0 CGADHM COc1ccc(C(=O)[O-])cc1CN1CCC[C@H]2CCC[C@@H]21 ZINC000087782019 798947528 /nfs/dbraw/zinc/94/75/28/798947528.db2.gz XPFNEVTWRPICPK-DOMZBBRYSA-N -1 3 289.375 3.158 20 0 CGADHM C[C@@H](CC(=O)[N-]OC(C)(C)C)c1cccc(F)c1 ZINC000126267098 799005376 /nfs/dbraw/zinc/00/53/76/799005376.db2.gz UQYRTRLVDFWAKE-JTQLQIEISA-N -1 3 253.317 3.166 20 0 CGADHM C[C@H](N[C@@H]1CCC(C)(C)C1)c1ncc(C(=O)[O-])s1 ZINC000315325118 799235136 /nfs/dbraw/zinc/23/51/36/799235136.db2.gz MAJVFMHGJOOPIU-DTWKUNHWSA-N -1 3 268.382 3.071 20 0 CGADHM CC(C)CC[C@H](C)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC000315372514 799236413 /nfs/dbraw/zinc/23/64/13/799236413.db2.gz RSQZLWJTUAYAFA-UWVGGRQHSA-N -1 3 270.398 3.317 20 0 CGADHM CN(Cc1cc(C(=O)[O-])ccc1F)CC1CC(F)(F)C1 ZINC000383157736 799400191 /nfs/dbraw/zinc/40/01/91/799400191.db2.gz INEVJKWYFMXXTG-UHFFFAOYSA-N -1 3 287.281 3.001 20 0 CGADHM CCC(CC)(CC)CNC(=O)c1ccc(OC)cc1[O-] ZINC000391348689 799478397 /nfs/dbraw/zinc/47/83/97/799478397.db2.gz GAQNIICMPWZOSO-UHFFFAOYSA-N -1 3 279.380 3.347 20 0 CGADHM CCc1cnc(CN2CCC[C@H](C(C)(C)C(=O)[O-])C2)s1 ZINC000394840099 799500374 /nfs/dbraw/zinc/50/03/74/799500374.db2.gz JORMBUYZHAYJNG-NSHDSACASA-N -1 3 296.436 3.028 20 0 CGADHM COc1cccc([O-])c1C(=O)N[C@@H](C)CCC(C)(C)C ZINC000405278487 799582746 /nfs/dbraw/zinc/58/27/46/799582746.db2.gz YCTBOLIPHWRVJB-NSHDSACASA-N -1 3 279.380 3.345 20 0 CGADHM CO[C@H]1CC[C@H](C)N(Cc2cccc([O-])c2Cl)C1 ZINC000687212549 799737144 /nfs/dbraw/zinc/73/71/44/799737144.db2.gz KJVYTKXLVTYOQI-JQWIXIFHSA-N -1 3 269.772 3.045 20 0 CGADHM [O-]c1cccc(CN2CCC(F)CC2)c1Br ZINC000689913967 799769991 /nfs/dbraw/zinc/76/99/91/799769991.db2.gz UWPSFKDUYZTHHZ-UHFFFAOYSA-N -1 3 288.160 3.089 20 0 CGADHM CC(C)(CNC(=O)c1cc([O-])ccc1Cl)C(C)(F)F ZINC000697313054 799845302 /nfs/dbraw/zinc/84/53/02/799845302.db2.gz IHRIAOUZVVKCBG-UHFFFAOYSA-N -1 3 291.725 3.457 20 0 CGADHM C[C@H](CC1CCC1)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC000710270399 800031920 /nfs/dbraw/zinc/03/19/20/800031920.db2.gz FQMDOLWSHZGWJQ-RKDXNWHRSA-N -1 3 268.382 3.071 20 0 CGADHM CCCCCc1nnc(-c2c(C)cc(O)cc2[O-])o1 ZINC001256144065 806833548 /nfs/dbraw/zinc/83/35/48/806833548.db2.gz AOAGDQJFAFTQOY-UHFFFAOYSA-N -1 3 262.309 3.189 20 0 CGADHM C[C@H]1C[C@H]1c1nnc(-c2cc3cc(O)ccc3cc2[O-])o1 ZINC001256635416 806934468 /nfs/dbraw/zinc/93/44/68/806934468.db2.gz RUEOOPVIJOSXLT-QPUJVOFHSA-N -1 3 282.299 3.424 20 0 CGADHM CCc1cc(C)cc(CC)c1NCCCc1c[n-][nH]c1=O ZINC001164384226 806944469 /nfs/dbraw/zinc/94/44/69/806944469.db2.gz ZKXBIKNOEJFZCP-OAHLLOKOSA-N -1 3 287.407 3.044 20 0 CGADHM CC(C)O[N-]C(=O)C[C@@H](C)Cc1ccc(Cl)cc1 ZINC001117817308 802504413 /nfs/dbraw/zinc/50/44/13/802504413.db2.gz ZXFSVVSUBHPAFK-NSHDSACASA-N -1 3 269.772 3.365 20 0 CGADHM c1ccc([N-]c2nnc(-c3n[nH]c4c3CCCC4)o2)cc1 ZINC001119597215 802681327 /nfs/dbraw/zinc/68/13/27/802681327.db2.gz LJMMKGXBIVMJKD-UHFFFAOYSA-N -1 3 281.319 3.082 20 0 CGADHM COc1ccc(-c2ccccc2-c2nnn[n-]2)cc1SC ZINC001243750472 802982452 /nfs/dbraw/zinc/98/24/52/802982452.db2.gz QPOLCFSJVWVVLD-UHFFFAOYSA-N -1 3 298.371 3.264 20 0 CGADHM COc1ccc(-c2ccccc2-c2nn[n-]n2)cc1SC ZINC001243750472 802982459 /nfs/dbraw/zinc/98/24/59/802982459.db2.gz QPOLCFSJVWVVLD-UHFFFAOYSA-N -1 3 298.371 3.264 20 0 CGADHM Clc1ccc(-c2ccc(-c3nnn[n-]3)cc2)c2c[nH]nc21 ZINC001243780055 802999423 /nfs/dbraw/zinc/99/94/23/802999423.db2.gz HLQJUJUCUXXBQC-UHFFFAOYSA-N -1 3 296.721 3.063 20 0 CGADHM Clc1ccc(-c2ccc(-c3nn[n-]n3)cc2)c2c[nH]nc21 ZINC001243780055 802999426 /nfs/dbraw/zinc/99/94/26/802999426.db2.gz HLQJUJUCUXXBQC-UHFFFAOYSA-N -1 3 296.721 3.063 20 0 CGADHM Cc1c(F)nccc1-c1ccc2c(c1)[N-]C(=S)C2 ZINC001243780719 803000007 /nfs/dbraw/zinc/00/00/07/803000007.db2.gz RUNPHZDWEMUIRA-UHFFFAOYSA-N -1 3 258.321 3.492 20 0 CGADHM Cc1cc(F)cc(C)c1-c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001243925913 803078606 /nfs/dbraw/zinc/07/86/06/803078606.db2.gz NVUKASONIYLFLB-UHFFFAOYSA-N -1 3 286.285 3.429 20 0 CGADHM Cc1cc(F)cc(C)c1-c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001243925913 803078614 /nfs/dbraw/zinc/07/86/14/803078614.db2.gz NVUKASONIYLFLB-UHFFFAOYSA-N -1 3 286.285 3.429 20 0 CGADHM COc1ccc(-c2ccccc2-c2nnn[n-]2)c(C)c1C ZINC001243998195 803130744 /nfs/dbraw/zinc/13/07/44/803130744.db2.gz KWRSWTUEFJATER-UHFFFAOYSA-N -1 3 280.331 3.159 20 0 CGADHM COc1ccc(-c2ccccc2-c2nn[n-]n2)c(C)c1C ZINC001243998195 803130745 /nfs/dbraw/zinc/13/07/45/803130745.db2.gz KWRSWTUEFJATER-UHFFFAOYSA-N -1 3 280.331 3.159 20 0 CGADHM O=c1ccc(-c2c([O-])cccc2Cl)cn1-c1ccccn1 ZINC001244046779 803159440 /nfs/dbraw/zinc/15/94/40/803159440.db2.gz ALBGUGSMPYSMNK-UHFFFAOYSA-N -1 3 298.729 3.259 20 0 CGADHM COc1ccc(-c2c([O-])cccc2Cl)c(F)n1 ZINC001244046207 803159469 /nfs/dbraw/zinc/15/94/69/803159469.db2.gz CDUVOJCRSIKMLP-UHFFFAOYSA-N -1 3 253.660 3.255 20 0 CGADHM COc1cccc(C2CC2)c1-c1ccc(-c2nnn[n-]2)cc1 ZINC001244254518 803265861 /nfs/dbraw/zinc/26/58/61/803265861.db2.gz GFFFYPNDYICDGH-UHFFFAOYSA-N -1 3 292.342 3.420 20 0 CGADHM COc1cccc(C2CC2)c1-c1ccc(-c2nn[n-]n2)cc1 ZINC001244254518 803265863 /nfs/dbraw/zinc/26/58/63/803265863.db2.gz GFFFYPNDYICDGH-UHFFFAOYSA-N -1 3 292.342 3.420 20 0 CGADHM Fc1cc(-c2cccc(-c3nnn[n-]3)c2)c(F)cc1Cl ZINC001244303504 803286937 /nfs/dbraw/zinc/28/69/37/803286937.db2.gz JNNHIWDNHUXYAI-UHFFFAOYSA-N -1 3 292.676 3.465 20 0 CGADHM Fc1cc(-c2cccc(-c3nn[n-]n3)c2)c(F)cc1Cl ZINC001244303504 803286943 /nfs/dbraw/zinc/28/69/43/803286943.db2.gz JNNHIWDNHUXYAI-UHFFFAOYSA-N -1 3 292.676 3.465 20 0 CGADHM Nc1ccc(F)cc1-c1ccc2c(c1)[N-]C(=S)C2 ZINC001244398243 803346623 /nfs/dbraw/zinc/34/66/23/803346623.db2.gz DWRUDWNHCOLYAA-UHFFFAOYSA-N -1 3 258.321 3.370 20 0 CGADHM CN(C)Cc1cccc(-c2ccc(Cl)cc2[O-])n1 ZINC001244468663 803384696 /nfs/dbraw/zinc/38/46/96/803384696.db2.gz OQBZLPVPNYSBAL-UHFFFAOYSA-N -1 3 262.740 3.169 20 0 CGADHM COc1ncc(F)cc1-c1ccc(Cl)cc1[O-] ZINC001244469903 803386155 /nfs/dbraw/zinc/38/61/55/803386155.db2.gz TUAFQHXMNFZRFG-UHFFFAOYSA-N -1 3 253.660 3.255 20 0 CGADHM CCOC(=O)Cc1ncccc1-c1ccc(Cl)cc1[O-] ZINC001244473596 803389433 /nfs/dbraw/zinc/38/94/33/803389433.db2.gz UQIBIAHXMNWNBT-UHFFFAOYSA-N -1 3 291.734 3.213 20 0 CGADHM Cc1cc(-c2ccc3ncccc3n2)cc([O-])c1F ZINC001244505380 803409757 /nfs/dbraw/zinc/40/97/57/803409757.db2.gz FDYVRVCRDIYDEP-UHFFFAOYSA-N -1 3 254.264 3.450 20 0 CGADHM CSc1c[nH]c2ncnc(-c3cc(C)c(F)c([O-])c3)c12 ZINC001244507315 803411301 /nfs/dbraw/zinc/41/13/01/803411301.db2.gz LRYSPIGMTLQUTI-UHFFFAOYSA-N -1 3 289.335 3.452 20 0 CGADHM Cc1cc(-c2ccc3c(ccn(C)c3=O)c2)cc([O-])c1F ZINC001244515819 803413357 /nfs/dbraw/zinc/41/33/57/803413357.db2.gz OHSMUUCRELVHJD-UHFFFAOYSA-N -1 3 283.302 3.359 20 0 CGADHM Cc1cc(-c2ccc(-c3nc[nH]n3)cc2)cc([O-])c1F ZINC001244514789 803413595 /nfs/dbraw/zinc/41/35/95/803413595.db2.gz CIOAQTDLBBVHCD-UHFFFAOYSA-N -1 3 269.279 3.292 20 0 CGADHM COC(=O)c1ccc(OC)cc1-c1cc(C)c(F)c([O-])c1 ZINC001244515303 803414349 /nfs/dbraw/zinc/41/43/49/803414349.db2.gz JKMYKADHKORBKP-UHFFFAOYSA-N -1 3 290.290 3.302 20 0 CGADHM CCOC(=O)Cc1ccc(-c2cc(C)c(F)c([O-])c2)cn1 ZINC001244518165 803415361 /nfs/dbraw/zinc/41/53/61/803415361.db2.gz RDNJVGFAQCSTGY-UHFFFAOYSA-N -1 3 289.306 3.007 20 0 CGADHM Cc1cc(-c2ccccc2N2CCOCC2)cc([O-])c1F ZINC001244519117 803415388 /nfs/dbraw/zinc/41/53/88/803415388.db2.gz COPVSQNMYLWPQN-UHFFFAOYSA-N -1 3 287.334 3.343 20 0 CGADHM Cc1cc(-c2ccn(C(C)C)c(=O)c2)cc([O-])c1F ZINC001244519958 803415611 /nfs/dbraw/zinc/41/56/11/803415611.db2.gz HLHSANOJRHZPPV-UHFFFAOYSA-N -1 3 261.296 3.249 20 0 CGADHM Cc1cc(-c2ccc3c(c2)OCCN3)cc([O-])c1F ZINC001244524307 803417899 /nfs/dbraw/zinc/41/78/99/803417899.db2.gz AQOOSZSGTAKEHT-UHFFFAOYSA-N -1 3 259.280 3.311 20 0 CGADHM Cc1cc(-c2ccc3c(c2)CCN(C)C3=O)cc([O-])c1F ZINC001244525332 803418520 /nfs/dbraw/zinc/41/85/20/803418520.db2.gz PVYIXNAPTWFTDD-UHFFFAOYSA-N -1 3 285.318 3.135 20 0 CGADHM Cc1cc(-c2cccc3c2NC(=O)N(C)C3)cc([O-])c1F ZINC001244530732 803421540 /nfs/dbraw/zinc/42/15/40/803421540.db2.gz RQWHNIICUKVLDB-UHFFFAOYSA-N -1 3 286.306 3.484 20 0 CGADHM CNC(=O)Cc1ccc(-c2cc(C)c([O-])c(Cl)c2)cc1 ZINC001244545977 803430478 /nfs/dbraw/zinc/43/04/78/803430478.db2.gz CIQQQSOFYXNKQJ-UHFFFAOYSA-N -1 3 289.762 3.310 20 0 CGADHM Cc1cc(-c2nnn[n-]2)ccc1-c1cc(F)cc(N(C)C)c1 ZINC001244801067 803532598 /nfs/dbraw/zinc/53/25/98/803532598.db2.gz OBDQSXAVTCKGEZ-UHFFFAOYSA-N -1 3 297.337 3.047 20 0 CGADHM Cc1cc(-c2nn[n-]n2)ccc1-c1cc(F)cc(N(C)C)c1 ZINC001244801067 803532599 /nfs/dbraw/zinc/53/25/99/803532599.db2.gz OBDQSXAVTCKGEZ-UHFFFAOYSA-N -1 3 297.337 3.047 20 0 CGADHM Cc1c(F)ccc(F)c1-c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001244987184 803605013 /nfs/dbraw/zinc/60/50/13/803605013.db2.gz OSKDFQFAYCMLSA-UHFFFAOYSA-N -1 3 290.248 3.259 20 0 CGADHM Cc1c(F)ccc(F)c1-c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001244987184 803605017 /nfs/dbraw/zinc/60/50/17/803605017.db2.gz OSKDFQFAYCMLSA-UHFFFAOYSA-N -1 3 290.248 3.259 20 0 CGADHM CCOc1cc(C)cc(F)c1-c1cccc(-c2nnn[n-]2)c1 ZINC001245012663 803610788 /nfs/dbraw/zinc/61/07/88/803610788.db2.gz ASIIPUPMXRTXAC-UHFFFAOYSA-N -1 3 298.321 3.380 20 0 CGADHM CCOc1cc(C)cc(F)c1-c1cccc(-c2nn[n-]n2)c1 ZINC001245012663 803610791 /nfs/dbraw/zinc/61/07/91/803610791.db2.gz ASIIPUPMXRTXAC-UHFFFAOYSA-N -1 3 298.321 3.380 20 0 CGADHM Cc1cnc2ncc(-c3cc(Cl)ccc3[O-])cc2n1 ZINC001245051375 803623043 /nfs/dbraw/zinc/62/30/43/803623043.db2.gz YCGDMYIQFAQYIF-UHFFFAOYSA-N -1 3 271.707 3.359 20 0 CGADHM CCOC(=O)Cc1ncccc1-c1cc(Cl)ccc1[O-] ZINC001245052679 803623789 /nfs/dbraw/zinc/62/37/89/803623789.db2.gz QVGCAQZBOZKKOK-UHFFFAOYSA-N -1 3 291.734 3.213 20 0 CGADHM Cc1cnc2c(ccnc2-c2ccc([O-])cc2Cl)n1 ZINC001245078799 803634162 /nfs/dbraw/zinc/63/41/62/803634162.db2.gz HJQLBCVVULTNLX-UHFFFAOYSA-N -1 3 271.707 3.359 20 0 CGADHM [O-]c1ccc(-c2cnc3ncccc3n2)c(Cl)c1 ZINC001245081881 803636780 /nfs/dbraw/zinc/63/67/80/803636780.db2.gz NVVPFLRUGFQZCB-UHFFFAOYSA-N -1 3 257.680 3.051 20 0 CGADHM COc1ccc(-c2ccc([O-])cc2Cl)c(F)n1 ZINC001245083221 803637127 /nfs/dbraw/zinc/63/71/27/803637127.db2.gz JHUTTZMZHWRYGY-UHFFFAOYSA-N -1 3 253.660 3.255 20 0 CGADHM CC(C)Oc1cc(F)c(-c2ccc(=S)[n-]n2)c(F)c1 ZINC001245530401 803792576 /nfs/dbraw/zinc/79/25/76/803792576.db2.gz PXLPAKOHOPNWJY-UHFFFAOYSA-N -1 3 282.315 3.498 20 0 CGADHM O=c1[nH]c2ccc(Nc3ccc([O-])c(F)c3F)cc2o1 ZINC001212008874 814966473 /nfs/dbraw/zinc/96/64/73/814966473.db2.gz GKYYWAOTPVLHBO-UHFFFAOYSA-N -1 3 278.214 3.261 20 0 CGADHM [O-]c1ccc(Nc2cccc3c2OCC[C@H]3O)c(F)c1F ZINC001212013625 814966594 /nfs/dbraw/zinc/96/65/94/814966594.db2.gz AUDXBLNDHOSSAL-LLVKDONJSA-N -1 3 293.269 3.230 20 0 CGADHM CC(=O)N(C)c1ccc(Nc2ccc([O-])c(F)c2F)cc1 ZINC001212008861 814966699 /nfs/dbraw/zinc/96/66/99/814966699.db2.gz GIHVRWFKUJIVLQ-UHFFFAOYSA-N -1 3 292.285 3.397 20 0 CGADHM Fc1cc(-c2cccc3ccoc32)ccc1-c1nnn[n-]1 ZINC001245617390 803858982 /nfs/dbraw/zinc/85/89/82/803858982.db2.gz TVDDKSRTAPNMML-UHFFFAOYSA-N -1 3 280.262 3.419 20 0 CGADHM Fc1cc(-c2cccc3ccoc32)ccc1-c1nn[n-]n1 ZINC001245617390 803858991 /nfs/dbraw/zinc/85/89/91/803858991.db2.gz TVDDKSRTAPNMML-UHFFFAOYSA-N -1 3 280.262 3.419 20 0 CGADHM O=C(NC1CC(F)(F)C1)c1cc2sccc2c([O-])c1 ZINC001138238630 803877123 /nfs/dbraw/zinc/87/71/23/803877123.db2.gz BSXKSWLZJQUXBM-UHFFFAOYSA-N -1 3 283.299 3.134 20 0 CGADHM COCc1cc(OC)ccc1-c1c([O-])cccc1F ZINC001245656597 803889743 /nfs/dbraw/zinc/88/97/43/803889743.db2.gz XQTWVNJZCZVYLN-UHFFFAOYSA-N -1 3 262.280 3.353 20 0 CGADHM CC(C)c1nnc2ccc(-c3c([O-])cccc3F)cn21 ZINC001245657052 803890370 /nfs/dbraw/zinc/89/03/70/803890370.db2.gz PCTCUVOQWKIURG-UHFFFAOYSA-N -1 3 271.295 3.364 20 0 CGADHM [O-]c1cccc(F)c1-c1cc(C(F)(F)F)cn2ncnc12 ZINC001245656466 803890761 /nfs/dbraw/zinc/89/07/61/803890761.db2.gz PAVAUKXEEUYNDO-UHFFFAOYSA-N -1 3 297.211 3.260 20 0 CGADHM [O-]c1cccc(F)c1-c1cn2ncnc2cc1C(F)(F)F ZINC001245657441 803892079 /nfs/dbraw/zinc/89/20/79/803892079.db2.gz NOGGYTLPTPRNKI-UHFFFAOYSA-N -1 3 297.211 3.260 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)[C@@H]2CCC[C@H](C)C2)o1 ZINC001212177738 814988668 /nfs/dbraw/zinc/98/86/68/814988668.db2.gz WRVJOTVUJIHTJX-WCFLWFBJSA-N -1 3 285.409 3.081 20 0 CGADHM O=S(=O)([N-][C@@H](C1CCC1)C1CCCCC1)c1ccco1 ZINC001212288707 815003124 /nfs/dbraw/zinc/00/31/24/815003124.db2.gz GKOKUDGLJRNHGP-OAHLLOKOSA-N -1 3 297.420 3.307 20 0 CGADHM [O-]c1cccc(CN2CCC[C@@H]3C[C@@H]32)c1Br ZINC001140552663 804460043 /nfs/dbraw/zinc/46/00/43/804460043.db2.gz KNRVJQORQNUDOJ-KOLCDFICSA-N -1 3 282.181 3.139 20 0 CGADHM Cc1cccc(S(=O)(=O)[N-]c2ccc(C)c(F)c2F)c1 ZINC001256947342 807013640 /nfs/dbraw/zinc/01/36/40/807013640.db2.gz XILZRIYDZONKPH-UHFFFAOYSA-N -1 3 297.326 3.382 20 0 CGADHM C[C@@H]1[C@@H](C)CCCN1Cc1ccc([O-])c(F)c1F ZINC001140892773 804542356 /nfs/dbraw/zinc/54/23/56/804542356.db2.gz ADIWVGOKHWWSAZ-VHSXEESVSA-N -1 3 255.308 3.291 20 0 CGADHM C[C@@H]1CCCN(Cc2ccc([O-])c(F)c2F)[C@@H]1C ZINC001140892769 804542566 /nfs/dbraw/zinc/54/25/66/804542566.db2.gz ADIWVGOKHWWSAZ-NXEZZACHSA-N -1 3 255.308 3.291 20 0 CGADHM [O-]c1ccc(CN2CCC3(CCOCC3)CC2)c(F)c1F ZINC001140893162 804543450 /nfs/dbraw/zinc/54/34/50/804543450.db2.gz JHNSTWBDGHVJLX-UHFFFAOYSA-N -1 3 297.345 3.063 20 0 CGADHM COC(C)(C)[C@@H]1CCCN1Cc1ccc([O-])c(F)c1F ZINC001140894041 804545786 /nfs/dbraw/zinc/54/57/86/804545786.db2.gz OTNGHUQMWHEOIQ-LBPRGKRZSA-N -1 3 285.334 3.060 20 0 CGADHM CN(CCc1cccc(Cl)c1)Cc1ccc(C(=O)[O-])o1 ZINC001140946452 804555934 /nfs/dbraw/zinc/55/59/34/804555934.db2.gz KFBITZHNHUULIA-UHFFFAOYSA-N -1 3 293.750 3.306 20 0 CGADHM C[C@@H]1CC[C@H](O)CN1Cc1c(Cl)cc([O-])cc1Cl ZINC001142106126 804696349 /nfs/dbraw/zinc/69/63/49/804696349.db2.gz ZXBOWGPOWOPEJD-BDAKNGLRSA-N -1 3 290.190 3.044 20 0 CGADHM CN(Cc1ccc(Cl)cc1C(=O)[O-])C[C@H]1CCCCO1 ZINC001142656693 804749719 /nfs/dbraw/zinc/74/97/19/804749719.db2.gz ITEXUIPYESBGMU-CYBMUJFWSA-N -1 3 297.782 3.039 20 0 CGADHM CC(C)(C[N-]C(=O)C(F)(F)F)c1c[nH]c2ccccc21 ZINC001142771240 804767471 /nfs/dbraw/zinc/76/74/71/804767471.db2.gz WIOPTWZKHVNVEF-UHFFFAOYSA-N -1 3 284.281 3.124 20 0 CGADHM CCc1cccc(Nc2cc(F)cc(F)c2[O-])n1 ZINC001212481646 815036600 /nfs/dbraw/zinc/03/66/00/815036600.db2.gz BARAYFQNGRKSAU-UHFFFAOYSA-N -1 3 250.248 3.371 20 0 CGADHM [O-]c1cc(F)c(CN2CC[C@@H]3CCC[C@H]3C2)c(F)c1 ZINC001144544857 805001415 /nfs/dbraw/zinc/00/14/15/805001415.db2.gz JNRHHFLGIOHIRK-QWRGUYRKSA-N -1 3 267.319 3.292 20 0 CGADHM [O-]c1cc(F)c(CN2CC[C@@H](c3ccccn3)C2)cc1F ZINC001144666729 805029763 /nfs/dbraw/zinc/02/97/63/805029763.db2.gz NOBWXISHYHEACK-LLVKDONJSA-N -1 3 290.313 3.055 20 0 CGADHM COc1ccc(CN(C)Cc2sccc2C(=O)[O-])cc1 ZINC001144670427 805031618 /nfs/dbraw/zinc/03/16/18/805031618.db2.gz JJJQMIZFNNADFK-UHFFFAOYSA-N -1 3 291.372 3.087 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)NCc1ccc2occc2c1 ZINC001146507319 805071077 /nfs/dbraw/zinc/07/10/77/805071077.db2.gz RSZWRWALJJJAEH-UHFFFAOYSA-N -1 3 299.301 3.136 20 0 CGADHM C[C@H]1CCCC[C@@H]1CCNC(=O)c1ccccc1[O-] ZINC001146712413 805082910 /nfs/dbraw/zinc/08/29/10/805082910.db2.gz VNZGSKRFKLHHQO-QWHCGFSZSA-N -1 3 261.365 3.338 20 0 CGADHM Cc1c(F)c(C)c(F)c(C(=O)Nc2ncccc2[O-])c1F ZINC001148752213 805208904 /nfs/dbraw/zinc/20/89/04/805208904.db2.gz FMSKFVDPBYSHRL-UHFFFAOYSA-N -1 3 296.248 3.074 20 0 CGADHM [O-]c1ccc(-c2nc(-c3cccc4ccoc43)no2)nc1 ZINC001212558076 815067834 /nfs/dbraw/zinc/06/78/34/815067834.db2.gz QJBIJHMZOLORDU-UHFFFAOYSA-N -1 3 279.255 3.250 20 0 CGADHM [O-]c1ccc(-c2nc(-c3ccc4ncsc4c3)no2)nc1 ZINC001212557963 815067853 /nfs/dbraw/zinc/06/78/53/815067853.db2.gz KUFXQVUYYLAGPV-UHFFFAOYSA-N -1 3 296.311 3.114 20 0 CGADHM [O-]c1ccc(-c2nc(-c3ccc(F)c(Cl)c3)no2)nc1 ZINC001212557822 815068299 /nfs/dbraw/zinc/06/82/99/815068299.db2.gz CGDODFLBAQSUSB-UHFFFAOYSA-N -1 3 291.669 3.297 20 0 CGADHM Cc1cc(Cl)ccc1-c1noc(-c2ccc([O-])cn2)n1 ZINC001212557965 815068373 /nfs/dbraw/zinc/06/83/73/815068373.db2.gz KULYOASLOUDCHS-UHFFFAOYSA-N -1 3 287.706 3.466 20 0 CGADHM Cc1cc(-c2noc(-c3ccc([O-])cn3)n2)ccc1Cl ZINC001212558277 815068436 /nfs/dbraw/zinc/06/84/36/815068436.db2.gz ZXSNESKVPSRKAD-UHFFFAOYSA-N -1 3 287.706 3.466 20 0 CGADHM CCc1ccc(NC(=O)c2cccc(CC)c2[O-])nc1 ZINC001153209671 805387882 /nfs/dbraw/zinc/38/78/82/805387882.db2.gz ZKDRIEKAHBDFDD-UHFFFAOYSA-N -1 3 270.332 3.164 20 0 CGADHM CN(C[C@@H]1CC1(C)C)C(=O)c1c(O)cc2ccccc2c1[O-] ZINC001154025149 805427551 /nfs/dbraw/zinc/42/75/51/805427551.db2.gz BBYJCWKVBZEHGJ-LBPRGKRZSA-N -1 3 299.370 3.369 20 0 CGADHM COc1ccc(Nc2ccc(Cl)c([O-])c2)cn1 ZINC001212587083 815077220 /nfs/dbraw/zinc/07/72/20/815077220.db2.gz JVNQEDFRJIBATF-UHFFFAOYSA-N -1 3 250.685 3.193 20 0 CGADHM CCn1cc(Nc2ccc(Cl)c([O-])c2)c(C)n1 ZINC001212587987 815077329 /nfs/dbraw/zinc/07/73/29/815077329.db2.gz DGUBFDPHGBYPQP-UHFFFAOYSA-N -1 3 251.717 3.314 20 0 CGADHM Cc1nnc2cc(Nc3ccc(Cl)c([O-])c3)ccn12 ZINC001212590389 815078218 /nfs/dbraw/zinc/07/82/18/815078218.db2.gz KIFYXGLIQMCXRV-UHFFFAOYSA-N -1 3 274.711 3.140 20 0 CGADHM CCn1ncc(Nc2ccc(Cl)c([O-])c2)c1C ZINC001212588660 815078536 /nfs/dbraw/zinc/07/85/36/815078536.db2.gz XFQAPXVCHRVEGF-UHFFFAOYSA-N -1 3 251.717 3.314 20 0 CGADHM CC1(C)COc2c(Nc3ccc(Cl)c([O-])c3)cnn2C1 ZINC001212590400 815078979 /nfs/dbraw/zinc/07/89/79/815078979.db2.gz KPSJOEDRZRPCTE-UHFFFAOYSA-N -1 3 293.754 3.404 20 0 CGADHM [O-]c1cc(Cc2cc(F)cc3c2OCOC3)ccc1F ZINC001250206593 805489922 /nfs/dbraw/zinc/48/99/22/805489922.db2.gz XQTJVNRPZUFUFP-UHFFFAOYSA-N -1 3 278.254 3.128 20 0 CGADHM COC(=O)c1ccc(O)cc1Nc1ccc(Cl)c([O-])c1 ZINC001212595423 815081299 /nfs/dbraw/zinc/08/12/99/815081299.db2.gz SRNJHRDJBGMGQN-UHFFFAOYSA-N -1 3 293.706 3.281 20 0 CGADHM [O-]c1cc(Nc2ccccc2-n2cncn2)ccc1Cl ZINC001212594312 815081402 /nfs/dbraw/zinc/08/14/02/815081402.db2.gz WCWNENNHRYXAFM-UHFFFAOYSA-N -1 3 286.722 3.370 20 0 CGADHM COc1ccc(Cc2c(F)ccc([O-])c2F)cc1 ZINC001250284998 805540888 /nfs/dbraw/zinc/54/08/88/805540888.db2.gz FXJMBAOGVZJABF-UHFFFAOYSA-N -1 3 250.244 3.270 20 0 CGADHM Cc1nc(Nc2ccc(C(C)(F)F)cc2)cc(=O)[n-]1 ZINC001212673057 815099732 /nfs/dbraw/zinc/09/97/32/815099732.db2.gz DIQMMHGSZFLCCU-UHFFFAOYSA-N -1 3 265.263 3.346 20 0 CGADHM Fc1ccc([C@@H]2C[C@H]2Nc2ccc(=S)[n-]n2)cc1F ZINC001168066179 807304666 /nfs/dbraw/zinc/30/46/66/807304666.db2.gz WNTHEQBXOQVEBQ-GZMMTYOYSA-N -1 3 279.315 3.012 20 0 CGADHM CC(C)CCc1nnc(Cc2ccc([O-])cc2F)o1 ZINC001258294273 807402023 /nfs/dbraw/zinc/40/20/23/807402023.db2.gz FDZNKCKWZDZBHF-UHFFFAOYSA-N -1 3 264.300 3.094 20 0 CGADHM CCC(CC)Oc1ccccc1[N-]S(=O)(=O)C1CC1 ZINC001259276585 807677477 /nfs/dbraw/zinc/67/74/77/807677477.db2.gz UEESPQCSXOJHPE-UHFFFAOYSA-N -1 3 283.393 3.158 20 0 CGADHM Cc1cccc(CS(=O)(=O)[N-]c2cccc(F)c2F)c1 ZINC001259742646 807684615 /nfs/dbraw/zinc/68/46/15/807684615.db2.gz WVCPQYCULUJSJY-UHFFFAOYSA-N -1 3 297.326 3.215 20 0 CGADHM Cc1cc(NCc2ncccc2[O-])cc2cc[nH]c21 ZINC001169731224 807700443 /nfs/dbraw/zinc/70/04/43/807700443.db2.gz DSCPFQQIXUGWDG-UHFFFAOYSA-N -1 3 253.305 3.189 20 0 CGADHM Cc1cc(-c2ccccc2)nc(NCc2ncccc2[O-])n1 ZINC001169732204 807701584 /nfs/dbraw/zinc/70/15/84/807701584.db2.gz KLYVMXXITXUWQF-UHFFFAOYSA-N -1 3 292.342 3.165 20 0 CGADHM CC[C@H](C)S(=O)(=O)[N-]c1ccccc1OCC1CC1 ZINC001260743419 807704435 /nfs/dbraw/zinc/70/44/35/807704435.db2.gz NCXBIRXFOXZYRB-NSHDSACASA-N -1 3 283.393 3.016 20 0 CGADHM CC(C)(C)c1nnc([N-]c2ccc(CO)c(Cl)c2)o1 ZINC001212888575 815177173 /nfs/dbraw/zinc/17/71/73/815177173.db2.gz VXWZTUMTSOFDDZ-UHFFFAOYSA-N -1 3 281.743 3.256 20 0 CGADHM CCCCCC[C@H](CCC)Nc1cnc(C)[n-]c1=O ZINC001172388774 808280155 /nfs/dbraw/zinc/28/01/55/808280155.db2.gz OKBYSYXHKBPBDP-UONOGXRCSA-N -1 3 265.401 3.113 20 0 CGADHM [O-]c1cccc2sc(Nc3cc(F)nc(F)c3)nc21 ZINC001213077240 815224978 /nfs/dbraw/zinc/22/49/78/815224978.db2.gz NNUONGSCURYTKQ-UHFFFAOYSA-N -1 3 279.271 3.419 20 0 CGADHM O=c1cc(Nc2ccccc2)[n-]n1-c1ccccc1 ZINC001173792367 808671425 /nfs/dbraw/zinc/67/14/25/808671425.db2.gz KQZQBJGNPYWWLC-UHFFFAOYSA-N -1 3 251.289 3.322 20 0 CGADHM COc1ccc(Nc2ccc([O-])c(F)c2F)cc1 ZINC001173804025 808678432 /nfs/dbraw/zinc/67/84/32/808678432.db2.gz XFINEMVJZZVLCF-UHFFFAOYSA-N -1 3 251.232 3.423 20 0 CGADHM CN(C)C(=O)c1cccc(Nc2cccc(F)c2F)c1[O-] ZINC001173947950 808778574 /nfs/dbraw/zinc/77/85/74/808778574.db2.gz CKYLGTDQFZRFSL-UHFFFAOYSA-N -1 3 292.285 3.116 20 0 CGADHM CN(C)C(=O)c1cccc(Nc2ccc([O-])c(Cl)c2)c1 ZINC001174085899 808855035 /nfs/dbraw/zinc/85/50/35/808855035.db2.gz HJZVZWFJBYNEKF-UHFFFAOYSA-N -1 3 290.750 3.491 20 0 CGADHM [O-]c1cc(Cl)c(Nc2cncnc2)cc1Cl ZINC001174386507 808987465 /nfs/dbraw/zinc/98/74/65/808987465.db2.gz AVZOHMYJXQBMHO-UHFFFAOYSA-N -1 3 256.092 3.233 20 0 CGADHM CC(C)(O)c1cccc(Nc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC001174404920 808999981 /nfs/dbraw/zinc/99/99/81/808999981.db2.gz XASSZRJYFDQSAV-UHFFFAOYSA-N -1 3 285.347 3.031 20 0 CGADHM [O-]c1c(F)cc(Nc2ccc3cn[nH]c3c2)cc1F ZINC001174501865 809051584 /nfs/dbraw/zinc/05/15/84/809051584.db2.gz KWBMMIDBOQEVMT-UHFFFAOYSA-N -1 3 261.231 3.290 20 0 CGADHM [O-]c1c(F)cc(Nc2ccc3c[nH]nc3c2)cc1F ZINC001174501865 809051590 /nfs/dbraw/zinc/05/15/90/809051590.db2.gz KWBMMIDBOQEVMT-UHFFFAOYSA-N -1 3 261.231 3.290 20 0 CGADHM [O-]c1cc(F)c(Nc2cnn([C@@H]3CCCCO3)c2)cc1F ZINC001174605852 809099661 /nfs/dbraw/zinc/09/96/61/809099661.db2.gz VBKVOLKDJZUSFZ-AWEZNQCLSA-N -1 3 295.289 3.310 20 0 CGADHM [O-]c1cc(F)cnc1Nc1cncc(C(F)(F)F)c1 ZINC001174741841 809150058 /nfs/dbraw/zinc/15/00/58/809150058.db2.gz TVVPXHIITQWUPL-UHFFFAOYSA-N -1 3 273.189 3.084 20 0 CGADHM Cc1nc(Nc2ccc3ccccc3c2)cc(=O)[n-]1 ZINC001174873232 809184926 /nfs/dbraw/zinc/18/49/26/809184926.db2.gz ZSTDISRVAMNXQX-UHFFFAOYSA-N -1 3 251.289 3.387 20 0 CGADHM Cn1nc(C2CC2)cc1Nc1cc(F)c([O-])c(F)c1 ZINC001213371117 815271704 /nfs/dbraw/zinc/27/17/04/815271704.db2.gz WKVNIRWLQWPCCC-UHFFFAOYSA-N -1 3 265.263 3.025 20 0 CGADHM Cc1cc(C)n2nc(Nc3cc(F)c([O-])c(F)c3)cc2n1 ZINC001213374935 815272013 /nfs/dbraw/zinc/27/20/13/815272013.db2.gz GJVPNSQSVLIEDX-UHFFFAOYSA-N -1 3 290.273 3.074 20 0 CGADHM Nc1ccc2c(Cl)nn(-c3cc(F)c([O-])c(F)c3)c2c1 ZINC001213381921 815274045 /nfs/dbraw/zinc/27/40/45/815274045.db2.gz PQBSFKNKJCCMIB-UHFFFAOYSA-N -1 3 295.676 3.245 20 0 CGADHM Cc1ccc(Nc2c(F)cc([O-])cc2F)cc1O ZINC001175098142 809270087 /nfs/dbraw/zinc/27/00/87/809270087.db2.gz ZEDVRFFAIMVXFR-UHFFFAOYSA-N -1 3 251.232 3.428 20 0 CGADHM CC(=O)c1cccc(O)c1Nc1c(F)cc([O-])cc1F ZINC001175099415 809270150 /nfs/dbraw/zinc/27/01/50/809270150.db2.gz FRTRXTKXZHXRGU-UHFFFAOYSA-N -1 3 279.242 3.322 20 0 CGADHM [O-]c1cc(F)c(Nc2cc(F)c(F)cc2O)c(F)c1 ZINC001175097657 809270229 /nfs/dbraw/zinc/27/02/29/809270229.db2.gz SAUNDSVWCVVMOW-UHFFFAOYSA-N -1 3 273.185 3.398 20 0 CGADHM [O-]c1cc(F)c(Nc2ccc3nccnc3c2)c(F)c1 ZINC001175100161 809270843 /nfs/dbraw/zinc/27/08/43/809270843.db2.gz IMOOOZBWIBIYGS-UHFFFAOYSA-N -1 3 273.242 3.357 20 0 CGADHM O=C1Cc2cc(F)cc(Nc3c(F)cc([O-])cc3F)c2N1 ZINC001175099603 809271049 /nfs/dbraw/zinc/27/10/49/809271049.db2.gz OPDNELOWKGHUMO-UHFFFAOYSA-N -1 3 294.232 3.048 20 0 CGADHM COc1cccc(O)c1Nc1c(F)cc([O-])cc1F ZINC001175099591 809271330 /nfs/dbraw/zinc/27/13/30/809271330.db2.gz NYBOSHMFZLUVIS-UHFFFAOYSA-N -1 3 267.231 3.128 20 0 CGADHM O=c1[n-]cncc1Nc1cccc(C(F)(F)F)c1F ZINC001175134073 809284922 /nfs/dbraw/zinc/28/49/22/809284922.db2.gz HMOZFHVSIIEOII-UHFFFAOYSA-N -1 3 273.189 3.084 20 0 CGADHM Fc1cc(F)c([N-]c2noc3cccnc23)c(F)c1 ZINC001175145977 809288057 /nfs/dbraw/zinc/28/80/57/809288057.db2.gz YZHHJTQYUUGJEZ-UHFFFAOYSA-N -1 3 265.194 3.384 20 0 CGADHM COc1ccc(OC)c(Nc2c(F)ccc([O-])c2F)c1 ZINC001175264092 809329181 /nfs/dbraw/zinc/32/91/81/809329181.db2.gz ADSKWSGQIABWEP-UHFFFAOYSA-N -1 3 281.258 3.431 20 0 CGADHM COC(=O)c1cc(Nc2c(F)ccc([O-])c2F)ccc1F ZINC001175268204 809332566 /nfs/dbraw/zinc/33/25/66/809332566.db2.gz JYLXVUPRDNQSSZ-UHFFFAOYSA-N -1 3 297.232 3.340 20 0 CGADHM [O-]c1ccc(F)c(Nc2ccc3c(c2)[C@@H](O)CC3)c1F ZINC001175270495 809333938 /nfs/dbraw/zinc/33/39/38/809333938.db2.gz CCCYJENGAKNSKM-LBPRGKRZSA-N -1 3 277.270 3.394 20 0 CGADHM Nc1cccc2c1CCCN2c1c(F)ccc([O-])c1F ZINC001175269833 809334305 /nfs/dbraw/zinc/33/43/05/809334305.db2.gz NNTSLBMHQBSMEP-UHFFFAOYSA-N -1 3 276.286 3.337 20 0 CGADHM COc1ncc(C)cc1Nc1cc(F)c([O-])c(F)c1 ZINC001175336895 809362170 /nfs/dbraw/zinc/36/21/70/809362170.db2.gz KGXNBQAMWIJXHA-UHFFFAOYSA-N -1 3 266.247 3.126 20 0 CGADHM [O-]c1cc(Cl)cnc1Nc1ccc(N2CCCC2)nc1 ZINC001175350537 809372284 /nfs/dbraw/zinc/37/22/84/809372284.db2.gz VIGQQACDYDAVRD-UHFFFAOYSA-N -1 3 290.754 3.179 20 0 CGADHM NC(=O)c1ccc(Nc2c(F)cccc2C2CC2)cc1[O-] ZINC001213454658 815284946 /nfs/dbraw/zinc/28/49/46/815284946.db2.gz JDVXIGIMVRXBHT-UHFFFAOYSA-N -1 3 286.306 3.251 20 0 CGADHM Fc1cc(F)c(F)c(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001175430015 809401424 /nfs/dbraw/zinc/40/14/24/809401424.db2.gz AMIKZLALZDEABT-UHFFFAOYSA-N -1 3 291.236 3.028 20 0 CGADHM c1cc2cnccc2c(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001175429738 809401666 /nfs/dbraw/zinc/40/16/66/809401666.db2.gz ZLBYLOVXJVJALA-UHFFFAOYSA-N -1 3 288.314 3.159 20 0 CGADHM C[S@@](=O)c1ccc(Nc2ccc([O-])c(F)c2F)cc1 ZINC001175484930 809425545 /nfs/dbraw/zinc/42/55/45/809425545.db2.gz ZPLYJYIVAADJAK-LJQANCHMSA-N -1 3 283.299 3.151 20 0 CGADHM [O-]c1ccc(Nc2ccc3nccnc3c2)c(F)c1F ZINC001175488291 809427484 /nfs/dbraw/zinc/42/74/84/809427484.db2.gz XUUATHLDTUJNLU-UHFFFAOYSA-N -1 3 273.242 3.357 20 0 CGADHM Cc1ccc(N(C)C(=O)Cc2ccc([O-])c(F)c2)cc1 ZINC001292573630 809434980 /nfs/dbraw/zinc/43/49/80/809434980.db2.gz LUQQSKDGVHSKIF-UHFFFAOYSA-N -1 3 273.307 3.045 20 0 CGADHM [O-]c1cccc(Nc2cccc(CO)c2)c1Br ZINC001175516605 809437067 /nfs/dbraw/zinc/43/70/67/809437067.db2.gz SCGFPMDASSGKRZ-UHFFFAOYSA-N -1 3 294.148 3.391 20 0 CGADHM CCCOc1cccc(Nc2cc(=O)[n-]c(=S)[nH]2)c1 ZINC001175598275 809468668 /nfs/dbraw/zinc/46/86/68/809468668.db2.gz LQSPQKKSSDCFBG-UHFFFAOYSA-N -1 3 277.349 3.003 20 0 CGADHM CCOc1ccccc1-c1noc(-c2cc(Cl)n[n-]2)n1 ZINC001213500217 815291434 /nfs/dbraw/zinc/29/14/34/815291434.db2.gz CDRVYKSXTXPQBX-UHFFFAOYSA-N -1 3 290.710 3.179 20 0 CGADHM O=C(Nc1cccc([O-])c1F)c1ccc(-c2cn[nH]c2)cc1 ZINC001295128503 809482061 /nfs/dbraw/zinc/48/20/61/809482061.db2.gz VXFUAXVLAZOCII-UHFFFAOYSA-N -1 3 297.289 3.174 20 0 CGADHM C/C(=C\c1ccncc1)C(=O)Nc1ccc(Cl)cc1[O-] ZINC001295971965 809497384 /nfs/dbraw/zinc/49/73/84/809497384.db2.gz KOHWDGBCJULBTM-CSKARUKUSA-N -1 3 288.734 3.483 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)C1(CCc2ccccc2)CC1 ZINC001298606066 809535039 /nfs/dbraw/zinc/53/50/39/809535039.db2.gz BVNLEFNJMZMYNK-CQSZACIVSA-N -1 3 275.392 3.493 20 0 CGADHM COc1ccc(C(=O)N[C@H]2CCC[C@H]2C(C)(C)C)c([O-])c1 ZINC001299247705 809547622 /nfs/dbraw/zinc/54/76/22/809547622.db2.gz DWOXOATXNAMEOB-KGLIPLIRSA-N -1 3 291.391 3.345 20 0 CGADHM CCOC(=O)c1nc(C2CC2)oc1[N-]c1ccc(F)cn1 ZINC001175848273 809556225 /nfs/dbraw/zinc/55/62/25/809556225.db2.gz HKLHHYHVWCBJNW-UHFFFAOYSA-N -1 3 291.282 3.006 20 0 CGADHM CC(C)Oc1ccc(Nc2cnc[n-]c2=O)cc1Cl ZINC001175867964 809562043 /nfs/dbraw/zinc/56/20/43/809562043.db2.gz NPHLTQIDRBTDEF-UHFFFAOYSA-N -1 3 279.727 3.366 20 0 CGADHM Cc1cccc(CO[N-]C(=O)CC/C=C\c2ccccc2)n1 ZINC001301635489 809586322 /nfs/dbraw/zinc/58/63/22/809586322.db2.gz OCVXHLFGAOWBGY-WZUFQYTHSA-N -1 3 296.370 3.431 20 0 CGADHM Cc1nnc([N-]c2ccc(-c3ccccn3)cc2)o1 ZINC001176034361 809605935 /nfs/dbraw/zinc/60/59/35/809605935.db2.gz PCDJOIYFYQASGE-UHFFFAOYSA-N -1 3 252.277 3.184 20 0 CGADHM C/C(=C/C(=O)[N-]Oc1ccccc1F)c1ccccc1 ZINC001303333143 809608037 /nfs/dbraw/zinc/60/80/37/809608037.db2.gz WEJULYNGWXGUMR-QXMHVHEDSA-N -1 3 271.291 3.339 20 0 CGADHM Cc1ncc(Nc2ccc(-c3ccncc3)cc2)c(=O)[n-]1 ZINC001176695358 809742634 /nfs/dbraw/zinc/74/26/34/809742634.db2.gz ASXLJROUDZECRT-UHFFFAOYSA-N -1 3 278.315 3.296 20 0 CGADHM O=C(Nc1ccc(F)c([O-])c1)[C@H]1C[C@@H]1c1cccs1 ZINC001177546536 809808305 /nfs/dbraw/zinc/80/83/05/809808305.db2.gz RSYMJGHJAFOULU-UWVGGRQHSA-N -1 3 277.320 3.335 20 0 CGADHM Cc1ccc(-c2noc(-c3nc(C)ccc3[O-])n2)c(F)c1 ZINC001213698062 815323470 /nfs/dbraw/zinc/32/34/70/815323470.db2.gz NFWVGSIJYYEAIV-UHFFFAOYSA-N -1 3 285.278 3.260 20 0 CGADHM CCc1ccc(C(=O)Nc2cnc3[nH]ccc3c2C)c([O-])c1 ZINC001178673663 809882089 /nfs/dbraw/zinc/88/20/89/809882089.db2.gz ULNZEGQONGWZHZ-UHFFFAOYSA-N -1 3 295.342 3.343 20 0 CGADHM O=C([N-]CCC1=CCCCC1)C(F)(F)C(F)(F)Cl ZINC001179779483 809944583 /nfs/dbraw/zinc/94/45/83/809944583.db2.gz APDNWCAXQYTIKC-UHFFFAOYSA-N -1 3 287.684 3.460 20 0 CGADHM Cc1c(F)cccc1CC(=O)Nc1ccc(F)c([O-])c1 ZINC001181708459 810067886 /nfs/dbraw/zinc/06/78/86/810067886.db2.gz VJESSRBEDSYFLL-UHFFFAOYSA-N -1 3 277.270 3.160 20 0 CGADHM O=C(Nc1cc([O-])cc(Cl)c1)c1cnc(C2CC2)o1 ZINC001185216488 810245526 /nfs/dbraw/zinc/24/55/26/810245526.db2.gz YFIGMCMBRRHCSO-UHFFFAOYSA-N -1 3 278.695 3.163 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2cc(C3CCC3)ccn2)n1 ZINC001185300152 810254172 /nfs/dbraw/zinc/25/41/72/810254172.db2.gz YGTNMJGZEKIVBW-UHFFFAOYSA-N -1 3 283.331 3.010 20 0 CGADHM CC(C)(CC1CCOCC1)C(=O)Nc1ccc(F)c([O-])c1 ZINC001185319524 810255739 /nfs/dbraw/zinc/25/57/39/810255739.db2.gz RKNAZWGRXGVDHD-UHFFFAOYSA-N -1 3 295.354 3.313 20 0 CGADHM COc1cc(F)c([N-]c2nonc2C2CC2)cc1Cl ZINC001214063003 815363935 /nfs/dbraw/zinc/36/39/35/815363935.db2.gz WOAVCSLVPVRUPJ-UHFFFAOYSA-N -1 3 283.690 3.492 20 0 CGADHM Cc1ccc(-c2noc(-c3ccc(F)c(=O)[n-]3)n2)cc1C ZINC001214085792 815366085 /nfs/dbraw/zinc/36/60/85/815366085.db2.gz ZENCBNRYTDOBBD-UHFFFAOYSA-N -1 3 285.278 3.260 20 0 CGADHM CC(C)n1nccc1C(=O)Nc1cc([O-])cc(Cl)c1 ZINC001189370901 810564029 /nfs/dbraw/zinc/56/40/29/810564029.db2.gz LHAJRQOMNMRGBM-UHFFFAOYSA-N -1 3 279.727 3.075 20 0 CGADHM CCCC[C@@H](CC)COC(=O)Nc1cnc(C)[n-]c1=O ZINC001193951186 810984483 /nfs/dbraw/zinc/98/44/83/810984483.db2.gz NVCGJAPVLLXOJC-LLVKDONJSA-N -1 3 281.356 3.256 20 0 CGADHM COc1cc(F)c(C(=O)Nc2ccc(F)c([O-])c2)cc1F ZINC001193975799 810992639 /nfs/dbraw/zinc/99/26/39/810992639.db2.gz VTECTLXTWPTNOA-UHFFFAOYSA-N -1 3 297.232 3.070 20 0 CGADHM C[C@H](O)c1ccnc(Nc2c(Cl)ccc([O-])c2F)c1 ZINC001214559284 815424986 /nfs/dbraw/zinc/42/49/86/815424986.db2.gz LSRRKMZTTLBAAC-ZETCQYMHSA-N -1 3 282.702 3.377 20 0 CGADHM CCC1(NC(=O)c2nc(C)ccc2[O-])CCC(F)(F)CC1 ZINC001195336054 811242724 /nfs/dbraw/zinc/24/27/24/811242724.db2.gz UFVNRDPRFJQNET-UHFFFAOYSA-N -1 3 298.333 3.184 20 0 CGADHM COc1ccc(NC(=S)Nc2ccc(F)c([O-])c2)cc1 ZINC001195704390 811279622 /nfs/dbraw/zinc/27/96/22/811279622.db2.gz FDLCIYRLPZBFTF-UHFFFAOYSA-N -1 3 292.335 3.349 20 0 CGADHM Cc1c(Cl)onc1C(=O)[N-]c1nc2ccc(F)cc2o1 ZINC001199670794 811584214 /nfs/dbraw/zinc/58/42/14/811584214.db2.gz RUKOROHBGDOFBS-UHFFFAOYSA-N -1 3 295.657 3.169 20 0 CGADHM CC(C)Oc1cc(Nc2cnc[n-]c2=O)ccc1Cl ZINC001201383064 811824008 /nfs/dbraw/zinc/82/40/08/811824008.db2.gz RGXVEZVMCYBCRV-UHFFFAOYSA-N -1 3 279.727 3.366 20 0 CGADHM O=C([O-])c1cnc(F)c(Nc2ccnc(C3CCC3)c2)c1 ZINC001215125954 815485837 /nfs/dbraw/zinc/48/58/37/815485837.db2.gz AWTVMBJTBXLZOA-UHFFFAOYSA-N -1 3 287.294 3.325 20 0 CGADHM CSc1ccc(F)cc1Nc1cnc(C)[n-]c1=O ZINC001215448573 815519956 /nfs/dbraw/zinc/51/99/56/815519956.db2.gz RHJZVEHJHBAKIQ-UHFFFAOYSA-N -1 3 265.313 3.095 20 0 CGADHM [O-]c1cc(F)c(Nc2cc(F)ncc2F)cc1F ZINC001215572789 815538571 /nfs/dbraw/zinc/53/85/71/815538571.db2.gz WIUMCEYBVMYYJB-UHFFFAOYSA-N -1 3 258.174 3.087 20 0 CGADHM [O-]c1cc(F)c(Nc2cccc(Cl)n2)cc1F ZINC001215569687 815536215 /nfs/dbraw/zinc/53/62/15/815536215.db2.gz DBJKMQRQJUFDBX-UHFFFAOYSA-N -1 3 256.639 3.462 20 0 CGADHM Nc1cc(Cl)cc2c1cnn2-c1cc(F)c([O-])cc1F ZINC001215576284 815540037 /nfs/dbraw/zinc/54/00/37/815540037.db2.gz SGZMWLFVDXJZHJ-UHFFFAOYSA-N -1 3 295.676 3.245 20 0 CGADHM COC(=O)/C=C/c1cc(C)cnc1-c1ccc([O-])cc1F ZINC001206037501 813175733 /nfs/dbraw/zinc/17/57/33/813175733.db2.gz JNEXWEHQXPRBAF-ZZXKWVIFSA-N -1 3 287.290 3.088 20 0 CGADHM Cc1cc(-c2ccc([O-])cc2F)nc(-c2ccncc2)n1 ZINC001206037433 813175769 /nfs/dbraw/zinc/17/57/69/813175769.db2.gz IAIPRRBOUWLPKN-UHFFFAOYSA-N -1 3 281.290 3.359 20 0 CGADHM COC(=O)c1ccc(OC)c(-c2ccc([O-])cc2F)c1F ZINC001206051327 813182161 /nfs/dbraw/zinc/18/21/61/813182161.db2.gz JOSGXVVTROZFDL-UHFFFAOYSA-N -1 3 294.253 3.133 20 0 CGADHM COc1c(C)nc(C2CC2)nc1-c1ccc([O-])cc1F ZINC001206052042 813183134 /nfs/dbraw/zinc/18/31/34/813183134.db2.gz YRLYEXLAMQDLPX-UHFFFAOYSA-N -1 3 274.295 3.183 20 0 CGADHM COc1cc(F)c(-c2ccc([O-])cc2F)c(F)c1 ZINC001206057954 813186005 /nfs/dbraw/zinc/18/60/05/813186005.db2.gz XWZZBJCEAIMGNC-UHFFFAOYSA-N -1 3 254.207 3.485 20 0 CGADHM COC(=O)c1cc(F)c(F)c(-c2ccc([O-])cc2F)c1 ZINC001206080908 813194110 /nfs/dbraw/zinc/19/41/10/813194110.db2.gz PWINPLUBKNDXTH-UHFFFAOYSA-N -1 3 282.217 3.263 20 0 CGADHM CN(Cc1ccc([O-])c(F)c1F)C1CC(C)(C)C1 ZINC001206215519 813243657 /nfs/dbraw/zinc/24/36/57/813243657.db2.gz OOZMOEZVXZFKDZ-UHFFFAOYSA-N -1 3 255.308 3.291 20 0 CGADHM Fc1cc(F)c(F)c([N-]c2noc3cccnc23)c1 ZINC001206375676 813306919 /nfs/dbraw/zinc/30/69/19/813306919.db2.gz PQIDUDRAASVIOR-UHFFFAOYSA-N -1 3 265.194 3.384 20 0 CGADHM O=c1cc(Nc2ccc3c(c2)OCC3)[n-]n1-c1ccccc1 ZINC001206668515 813395196 /nfs/dbraw/zinc/39/51/96/813395196.db2.gz WWWLBRRPCCDWAR-UHFFFAOYSA-N -1 3 293.326 3.256 20 0 CGADHM CN1CC=C(Nc2ccc3[n-]c(=S)sc3c2)CC1 ZINC001208855576 813868513 /nfs/dbraw/zinc/86/85/13/813868513.db2.gz CKGNETDGKVNWFZ-UHFFFAOYSA-N -1 3 277.418 3.216 20 0 CGADHM Nc1n[nH]c2ccc(Nc3cccc(Cl)c3[O-])cc12 ZINC001209862788 814174323 /nfs/dbraw/zinc/17/43/23/814174323.db2.gz MMRDENBJHVTIFA-UHFFFAOYSA-N -1 3 274.711 3.248 20 0 CGADHM COc1cc(C)c(Nc2cc(=O)n(-c3ccccc3)[n-]2)cn1 ZINC001209871749 814179225 /nfs/dbraw/zinc/17/92/25/814179225.db2.gz MXSSCIUBKLZUDM-UHFFFAOYSA-N -1 3 296.330 3.034 20 0 CGADHM O=c1cc(Cl)[nH]cc1Nc1ccc(F)cc1[O-] ZINC001210017327 814246992 /nfs/dbraw/zinc/24/69/92/814246992.db2.gz XPXCREPZWFVKBC-UHFFFAOYSA-N -1 3 254.648 3.029 20 0 CGADHM [O-]c1c(Cl)cccc1Nc1cnc2ccccn12 ZINC001210215520 814345038 /nfs/dbraw/zinc/34/50/38/814345038.db2.gz IIFXCHIKVJYGFM-UHFFFAOYSA-N -1 3 259.696 3.437 20 0 CGADHM Cc1cc(C)n2nc(Nc3cccc(Cl)c3[O-])cc2n1 ZINC001210218405 814345941 /nfs/dbraw/zinc/34/59/41/814345941.db2.gz KKFHRMVBGYJDQG-UHFFFAOYSA-N -1 3 288.738 3.449 20 0 CGADHM [O-]c1c(Cl)cccc1Nc1cnn2c1OCC1(CC1)C2 ZINC001210218836 814346864 /nfs/dbraw/zinc/34/68/64/814346864.db2.gz DQBDUDWIDKGKBA-UHFFFAOYSA-N -1 3 291.738 3.158 20 0 CGADHM COC(=O)c1cccc(N)c1Nc1cccc(Cl)c1[O-] ZINC001210221974 814348475 /nfs/dbraw/zinc/34/84/75/814348475.db2.gz HEYGLQHTNNGOAT-UHFFFAOYSA-N -1 3 292.722 3.158 20 0 CGADHM [O-]c1c(Cl)cccc1Nc1cc(Cl)nn2ccnc12 ZINC001210220073 814349070 /nfs/dbraw/zinc/34/90/70/814349070.db2.gz LHKBDIOJRIRDLL-UHFFFAOYSA-N -1 3 295.129 3.485 20 0 CGADHM CONC(=O)c1ccccc1Nc1cccc(Cl)c1[O-] ZINC001210222911 814351082 /nfs/dbraw/zinc/35/10/82/814351082.db2.gz ZSBOWLHXOVHVSJ-UHFFFAOYSA-N -1 3 292.722 3.080 20 0 CGADHM [O-]c1cc(Nc2ccc(OC(F)F)nc2)c(F)cc1F ZINC001210300967 814393158 /nfs/dbraw/zinc/39/31/58/814393158.db2.gz MCJBVNXUWKIGAF-UHFFFAOYSA-N -1 3 288.200 3.410 20 0 CGADHM C[C@@H](O)c1cccc(Nc2ccc([O-])c(F)c2F)c1 ZINC001210506956 814497097 /nfs/dbraw/zinc/49/70/97/814497097.db2.gz BSSMNTWYOUIJRK-MRVPVSSYSA-N -1 3 265.259 3.467 20 0 CGADHM CC(C)n1nccc1Nc1cc(F)c([O-])c(F)c1 ZINC001210520430 814506050 /nfs/dbraw/zinc/50/60/50/814506050.db2.gz GKTWUNSSSCKABG-UHFFFAOYSA-N -1 3 253.252 3.191 20 0 CGADHM NC(=O)c1ccc(Nc2cc3cc(F)ccc3o2)cc1[O-] ZINC001210731198 814600562 /nfs/dbraw/zinc/60/05/62/814600562.db2.gz SJYPYAAKNSTUJA-UHFFFAOYSA-N -1 3 286.262 3.120 20 0 CGADHM [O-]c1cc(-c2nccc(NC3CC3)n2)cc(C(F)(F)F)c1 ZINC001242781050 823131645 /nfs/dbraw/zinc/13/16/45/823131645.db2.gz PPQXHTZIGYCDAW-UHFFFAOYSA-N -1 3 295.264 3.442 20 0 CGADHM CCn1cc(Nc2cccc([O-])c2Cl)c(C)n1 ZINC001210844427 814649577 /nfs/dbraw/zinc/64/95/77/814649577.db2.gz HCGFVFFGJQNLTP-UHFFFAOYSA-N -1 3 251.717 3.314 20 0 CGADHM COC(=O)c1ccc(Nc2cccc([O-])c2Cl)o1 ZINC001210851559 814650368 /nfs/dbraw/zinc/65/03/68/814650368.db2.gz CDNYXLHIUFGZCW-UHFFFAOYSA-N -1 3 267.668 3.169 20 0 CGADHM [O-]c1cccc(Nc2ccnn2-c2ccccn2)c1Cl ZINC001210853877 814651920 /nfs/dbraw/zinc/65/19/20/814651920.db2.gz NXEAICNPHDELDL-UHFFFAOYSA-N -1 3 286.722 3.370 20 0 CGADHM NC(=O)c1cc(F)ccc1Nc1cccc([O-])c1Cl ZINC001210855045 814652060 /nfs/dbraw/zinc/65/20/60/814652060.db2.gz QLQORBAVBWQYIS-UHFFFAOYSA-N -1 3 280.686 3.027 20 0 CGADHM O=C1NCc2c1cccc2Nc1cccc([O-])c1Cl ZINC001210855441 814652477 /nfs/dbraw/zinc/65/24/77/814652477.db2.gz NUVXEYMBWYNXHT-UHFFFAOYSA-N -1 3 274.707 3.033 20 0 CGADHM Cc1ccc(-c2cc([N-]c3ccncn3)on2)cc1 ZINC001211022957 814709833 /nfs/dbraw/zinc/70/98/33/814709833.db2.gz OGFPLAKBKDWFBK-UHFFFAOYSA-N -1 3 252.277 3.184 20 0 CGADHM COc1cc(SC)c(Nc2ncc(Cl)cc2[O-])cn1 ZINC001215809778 815602789 /nfs/dbraw/zinc/60/27/89/815602789.db2.gz FQGFDPIWCBMRPA-UHFFFAOYSA-N -1 3 297.767 3.310 20 0 CGADHM CC(=O)c1cccnc1Nc1cc(C)c(F)c([O-])c1 ZINC001216077831 815683475 /nfs/dbraw/zinc/68/34/75/815683475.db2.gz UURPTIKAVZIPOH-UHFFFAOYSA-N -1 3 260.268 3.181 20 0 CGADHM Cc1c(F)cncc1Nc1cc(F)c([O-])c(F)c1 ZINC001216194459 815731864 /nfs/dbraw/zinc/73/18/64/815731864.db2.gz PRGVKDPXZMHZTH-UHFFFAOYSA-N -1 3 254.211 3.257 20 0 CGADHM COc1ccc(-c2noc(-c3c([O-])cc(C)cc3O)n2)cc1 ZINC001216267645 815761420 /nfs/dbraw/zinc/76/14/20/815761420.db2.gz PVMQGADOCGNZKZ-UHFFFAOYSA-N -1 3 298.298 3.132 20 0 CGADHM OCc1cc(Cl)c([N-]c2ncco2)c(Cl)c1 ZINC001216361886 815798722 /nfs/dbraw/zinc/79/87/22/815798722.db2.gz NZUUOPXALGJLIO-UHFFFAOYSA-N -1 3 259.092 3.217 20 0 CGADHM FC(F)(F)c1cc(-c2c[nH]c3ncccc23)nc(=S)[n-]1 ZINC001242862186 823156327 /nfs/dbraw/zinc/15/63/27/823156327.db2.gz NLTKLOIVJFNEEC-UHFFFAOYSA-N -1 3 296.277 3.327 20 0 CGADHM COc1nccc(C)c1-c1noc(-c2c(C)cccc2[O-])n1 ZINC001216540557 815853396 /nfs/dbraw/zinc/85/33/96/815853396.db2.gz XDTHROZVTQEMKU-UHFFFAOYSA-N -1 3 297.314 3.130 20 0 CGADHM COc1c(Nc2cnc(C)[n-]c2=O)cccc1C(F)(F)F ZINC001216636319 815882218 /nfs/dbraw/zinc/88/22/18/815882218.db2.gz WNMOTGRDPHAWEZ-UHFFFAOYSA-N -1 3 299.252 3.262 20 0 CGADHM Cc1cccnc1-c1noc(-c2cc([O-])c(C)c(F)c2)n1 ZINC001216895381 815900283 /nfs/dbraw/zinc/90/02/83/815900283.db2.gz PEIZHUHEJKUMHS-UHFFFAOYSA-N -1 3 285.278 3.260 20 0 CGADHM [O-]c1cnc2ccccc2c1-c1nc(-c2cccnc2)no1 ZINC001217441512 815927690 /nfs/dbraw/zinc/92/76/90/815927690.db2.gz LDXRJVKBDZBFIC-UHFFFAOYSA-N -1 3 290.282 3.052 20 0 CGADHM COC(=O)c1nc2nc(-c3ccccc3Cl)ccc2[n-]1 ZINC001222440505 816446499 /nfs/dbraw/zinc/44/64/99/816446499.db2.gz GDAWJFPVZRERGC-UHFFFAOYSA-N -1 3 287.706 3.065 20 0 CGADHM COC(=O)c1nc2ccc(-c3ccccc3Cl)[n-]c-2n1 ZINC001222440505 816446503 /nfs/dbraw/zinc/44/65/03/816446503.db2.gz GDAWJFPVZRERGC-UHFFFAOYSA-N -1 3 287.706 3.065 20 0 CGADHM Fc1cc(-c2ccccc2Cl)ccc1-c1nnn[n-]1 ZINC001222441222 816446552 /nfs/dbraw/zinc/44/65/52/816446552.db2.gz QTJUCGGEYUPCRW-UHFFFAOYSA-N -1 3 274.686 3.326 20 0 CGADHM Fc1cc(-c2ccccc2Cl)ccc1-c1nn[n-]n1 ZINC001222441222 816446554 /nfs/dbraw/zinc/44/65/54/816446554.db2.gz QTJUCGGEYUPCRW-UHFFFAOYSA-N -1 3 274.686 3.326 20 0 CGADHM Clc1cc(Cl)cc(-c2cncc(-c3nnn[n-]3)c2)c1 ZINC001222597357 816474517 /nfs/dbraw/zinc/47/45/17/816474517.db2.gz KUPSGBLFBLRTSK-UHFFFAOYSA-N -1 3 292.129 3.236 20 0 CGADHM Clc1cc(Cl)cc(-c2cncc(-c3nn[n-]n3)c2)c1 ZINC001222597357 816474521 /nfs/dbraw/zinc/47/45/21/816474521.db2.gz KUPSGBLFBLRTSK-UHFFFAOYSA-N -1 3 292.129 3.236 20 0 CGADHM COc1ccc(-c2ccc(F)c([O-])c2)c(OC)c1OC ZINC001243046405 823224305 /nfs/dbraw/zinc/22/43/05/823224305.db2.gz GRSCRYWYCDKLKN-UHFFFAOYSA-N -1 3 278.279 3.224 20 0 CGADHM COc1cc(SC)c(-c2ccc(F)c([O-])c2)cn1 ZINC001243048295 823225791 /nfs/dbraw/zinc/22/57/91/823225791.db2.gz VAUZPECKHUVOFG-UHFFFAOYSA-N -1 3 265.309 3.324 20 0 CGADHM CC(=O)Nc1ccc(F)cc1-c1ccc(F)c([O-])c1 ZINC001243048692 823226157 /nfs/dbraw/zinc/22/61/57/823226157.db2.gz IGQOAPHOVANENU-UHFFFAOYSA-N -1 3 263.243 3.296 20 0 CGADHM COC(=O)c1ccc(-c2ccc(F)c([O-])c2)c(F)c1F ZINC001243051144 823227867 /nfs/dbraw/zinc/22/78/67/823227867.db2.gz OAAXUYNYYVDFSX-UHFFFAOYSA-N -1 3 282.217 3.263 20 0 CGADHM [O-]c1cc(-c2ccc(OCC3CC3)nc2)ccc1F ZINC001243062100 823232046 /nfs/dbraw/zinc/23/20/46/823232046.db2.gz KEQZWVQWQHRKIL-UHFFFAOYSA-N -1 3 259.280 3.382 20 0 CGADHM CCOC(=O)c1cnc(C)c(-c2ccc(F)c([O-])c2)c1 ZINC001243062912 823232644 /nfs/dbraw/zinc/23/26/44/823232644.db2.gz PGAJVJOELZQYQK-UHFFFAOYSA-N -1 3 275.279 3.078 20 0 CGADHM Cc1ccccc1OC[C@H](C)Oc1ccc2c([O-])coc2c1 ZINC001225340078 817016818 /nfs/dbraw/zinc/01/68/18/817016818.db2.gz BQCLWTUHEARLQU-ZDUSSCGKSA-N -1 3 298.338 3.416 20 0 CGADHM C[C@@H](COc1ccccc1)Oc1ccc2c([O-])coc2c1 ZINC001225343217 817019779 /nfs/dbraw/zinc/01/97/79/817019779.db2.gz SDAMGTMHRYQOJQ-LBPRGKRZSA-N -1 3 284.311 3.108 20 0 CGADHM Cc1cnc(=S)[n-]c1O[C@H](C)c1ccccc1F ZINC001225740078 817162372 /nfs/dbraw/zinc/16/23/72/817162372.db2.gz CDFDCRCQZNXYTP-SECBINFHSA-N -1 3 264.325 3.353 20 0 CGADHM Cc1ccccc1OC[C@@H](C)Oc1[n-]c(=S)ncc1C ZINC001225741393 817164058 /nfs/dbraw/zinc/16/40/58/817164058.db2.gz VJXJWYLZEOFAEK-GFCCVEGCSA-N -1 3 290.388 3.228 20 0 CGADHM Cc1ccc(-c2cc3ccccc3[nH]2)cc1-c1nnn[n-]1 ZINC001243106536 823249489 /nfs/dbraw/zinc/24/94/89/823249489.db2.gz VRGRVSPOHQUJSR-UHFFFAOYSA-N -1 3 275.315 3.323 20 0 CGADHM Cc1ccc(-c2cc3ccccc3[nH]2)cc1-c1nn[n-]n1 ZINC001243106536 823249491 /nfs/dbraw/zinc/24/94/91/823249491.db2.gz VRGRVSPOHQUJSR-UHFFFAOYSA-N -1 3 275.315 3.323 20 0 CGADHM CC(=O)c1ccc([O-])c(O[C@H]2CCCC[C@H]2F)c1 ZINC001225994270 817241841 /nfs/dbraw/zinc/24/18/41/817241841.db2.gz MBCPMOQFZUYVNA-YPMHNXCESA-N -1 3 252.285 3.254 20 0 CGADHM CC(=O)c1ccc([O-])c(O[C@@H](C)c2cccnc2)c1 ZINC001225996990 817243773 /nfs/dbraw/zinc/24/37/73/817243773.db2.gz AIJWBFUFZBDLJC-NSHDSACASA-N -1 3 257.289 3.130 20 0 CGADHM Cc1cc(-c2nnn[n-]2)ccc1-c1cc2ccccc2[nH]1 ZINC001243109357 823251098 /nfs/dbraw/zinc/25/10/98/823251098.db2.gz XQFQYAULIDNIBS-UHFFFAOYSA-N -1 3 275.315 3.323 20 0 CGADHM Cc1cc(-c2nn[n-]n2)ccc1-c1cc2ccccc2[nH]1 ZINC001243109357 823251101 /nfs/dbraw/zinc/25/11/01/823251101.db2.gz XQFQYAULIDNIBS-UHFFFAOYSA-N -1 3 275.315 3.323 20 0 CGADHM Cc1cc(COc2nc[n-]c(=O)c2C)ccc1OC(C)C ZINC001226076054 817265880 /nfs/dbraw/zinc/26/58/80/817265880.db2.gz LBVOBEKLFHUUED-UHFFFAOYSA-N -1 3 288.347 3.165 20 0 CGADHM F[C@@H]1CCCC[C@@H]1Oc1[n-]c(=S)ncc1C1CC1 ZINC001226120783 817278018 /nfs/dbraw/zinc/27/80/18/817278018.db2.gz UFGRSVCBGFSNDE-MNOVXSKESA-N -1 3 268.357 3.302 20 0 CGADHM CC(=O)c1cnc(=O)[n-]c1O[C@H](C)c1csc(Cl)c1 ZINC001226240737 817306831 /nfs/dbraw/zinc/30/68/31/817306831.db2.gz UUHXZQKJEQWKTJ-SSDOTTSWSA-N -1 3 298.751 3.240 20 0 CGADHM S=c1nc2c(c(O[C@@H]3CCCc4cccnc43)[n-]1)CCC2 ZINC001226298154 817322290 /nfs/dbraw/zinc/32/22/90/817322290.db2.gz RDZQNZBVPFAOOQ-CYBMUJFWSA-N -1 3 299.399 3.105 20 0 CGADHM CCC[C@@H](CC)Oc1c([O-])ccc(C(C)=O)c1O ZINC001226478403 817369834 /nfs/dbraw/zinc/36/98/34/817369834.db2.gz GJYAYAGCRKECHY-SNVBAGLBSA-N -1 3 252.310 3.258 20 0 CGADHM CC(=O)c1ccc([O-])c(O[C@@H]2CCCc3cccnc32)c1O ZINC001226479859 817370372 /nfs/dbraw/zinc/37/03/72/817370372.db2.gz UDIFXXWCRCIYGJ-CQSZACIVSA-N -1 3 299.326 3.152 20 0 CGADHM CCCOC[C@H](C)Oc1cc2c(C)cc(=O)oc2cc1[O-] ZINC001226532746 817389790 /nfs/dbraw/zinc/38/97/90/817389790.db2.gz UFZOUWYWQSTTGC-NSHDSACASA-N -1 3 292.331 3.001 20 0 CGADHM O=c1ccc2ccc([O-])c(O[C@@H]3C[C@H]4CC[C@@H]3C4)c2o1 ZINC001226596010 817409946 /nfs/dbraw/zinc/40/99/46/817409946.db2.gz HPJFBDYRBISGMK-UFGOTCBOSA-N -1 3 272.300 3.066 20 0 CGADHM COC(=O)C1CCC(Oc2cccc([O-])c2Cl)CC1 ZINC001226712228 817443788 /nfs/dbraw/zinc/44/37/88/817443788.db2.gz QKGYOEKGWPKIQO-UHFFFAOYSA-N -1 3 284.739 3.156 20 0 CGADHM CC[C@H](Oc1cc(=O)[n-]cn1)c1cccc(F)c1C ZINC001226944532 817512989 /nfs/dbraw/zinc/51/29/89/817512989.db2.gz GYKOSCQZMYMMLL-LBPRGKRZSA-N -1 3 262.284 3.160 20 0 CGADHM CC(C)Oc1ccc(COc2cnc[n-]c2=O)cc1Cl ZINC001227051896 817544732 /nfs/dbraw/zinc/54/47/32/817544732.db2.gz RNHZRXJILUTKOH-UHFFFAOYSA-N -1 3 294.738 3.202 20 0 CGADHM CCC[C@@H](Oc1ccc(=O)[n-]n1)c1ccc(OC)cc1 ZINC001227093250 817554772 /nfs/dbraw/zinc/55/47/72/817554772.db2.gz JNAHQHIPDMKGTE-CYBMUJFWSA-N -1 3 274.320 3.111 20 0 CGADHM CO[C@H]1CCCC[C@@H]1Oc1cc(=O)cc(C(F)(F)F)[n-]1 ZINC001227583605 817675939 /nfs/dbraw/zinc/67/59/39/817675939.db2.gz OETYNOSAFYUSKG-UWVGGRQHSA-N -1 3 291.269 3.142 20 0 CGADHM Cc1ccc(-c2cc(N3CCCC3)ccn2)cc1C(=O)[O-] ZINC001243193604 823283809 /nfs/dbraw/zinc/28/38/09/823283809.db2.gz GKQGRRMKBFSFQW-UHFFFAOYSA-N -1 3 282.343 3.355 20 0 CGADHM CC(C)[C@@H](Oc1ncc(Cl)cc1[O-])C(F)(F)F ZINC001227981552 817771185 /nfs/dbraw/zinc/77/11/85/817771185.db2.gz XRZQIDNMFZYELB-MRVPVSSYSA-N -1 3 269.650 3.406 20 0 CGADHM CC1(C)[C@@H]2C[C@@H](Oc3ncc(Cl)cc3[O-])C[C@@H]21 ZINC001227981469 817771403 /nfs/dbraw/zinc/77/14/03/817771403.db2.gz WGFMGTJFGSIYME-OWUUHHOZSA-N -1 3 253.729 3.254 20 0 CGADHM CC(C)[C@H](Oc1ncc(Cl)cc1[O-])C(F)(F)F ZINC001227981554 817771677 /nfs/dbraw/zinc/77/16/77/817771677.db2.gz XRZQIDNMFZYELB-QMMMGPOBSA-N -1 3 269.650 3.406 20 0 CGADHM Cc1ccc2c(c1)[C@H](Oc1[n-]c(=O)nc3cccnc31)CC2 ZINC001227999917 817779615 /nfs/dbraw/zinc/77/96/15/817779615.db2.gz HHXCVKGULNPOGG-CQSZACIVSA-N -1 3 293.326 3.105 20 0 CGADHM Cc1cc(=O)oc2c1ccc([O-])c2OC1CCSCC1 ZINC001228628904 817956794 /nfs/dbraw/zinc/95/67/94/817956794.db2.gz KVBLIRSAMCFYCU-UHFFFAOYSA-N -1 3 292.356 3.081 20 0 CGADHM CCCOc1ccc(-c2ccc(=S)[n-]n2)cc1F ZINC001243220917 823298782 /nfs/dbraw/zinc/29/87/82/823298782.db2.gz ZABYYBZRFHKLTF-UHFFFAOYSA-N -1 3 264.325 3.360 20 0 CGADHM C[C@@H]1CC[C@H](C)[C@@H](Oc2nnc(-c3cccnc3)[n-]2)C1 ZINC001228694773 817975765 /nfs/dbraw/zinc/97/57/65/817975765.db2.gz FONKJNMNCQJXOU-MDZLAQPJSA-N -1 3 272.352 3.070 20 0 CGADHM C[C@@H]1CC[C@H](C)[C@@H](Oc2nc(-c3cccnc3)n[n-]2)C1 ZINC001228694773 817975770 /nfs/dbraw/zinc/97/57/70/817975770.db2.gz FONKJNMNCQJXOU-MDZLAQPJSA-N -1 3 272.352 3.070 20 0 CGADHM C[C@@H]1CC[C@H](C)[C@@H](Oc2n[n-]c(-c3cccnc3)n2)C1 ZINC001228694773 817975774 /nfs/dbraw/zinc/97/57/74/817975774.db2.gz FONKJNMNCQJXOU-MDZLAQPJSA-N -1 3 272.352 3.070 20 0 CGADHM CC(C)CC[C@H](C)Oc1n[n-]c(-c2ccncc2)n1 ZINC001228697361 817977801 /nfs/dbraw/zinc/97/78/01/817977801.db2.gz KFHFYJMPBGTBFF-NSHDSACASA-N -1 3 260.341 3.070 20 0 CGADHM CCC[C@@H](Oc1n[n-]c(-c2ccncc2)n1)[C@@H](C)CC ZINC001228698672 817979931 /nfs/dbraw/zinc/97/99/31/817979931.db2.gz ZUKVHWSPIGSGIA-WCQYABFASA-N -1 3 274.368 3.460 20 0 CGADHM C[C@H](CCc1ccccc1)Oc1n[n-]c(-c2ccncc2)n1 ZINC001228698412 817980130 /nfs/dbraw/zinc/98/01/30/817980130.db2.gz XVTLUUNURKRKOC-CYBMUJFWSA-N -1 3 294.358 3.267 20 0 CGADHM C[C@H](Oc1n[n-]c(-c2ccncc2)n1)c1cccc(F)c1 ZINC001228698429 817980409 /nfs/dbraw/zinc/98/04/09/817980409.db2.gz YKXPQPYYKZLGMV-JTQLQIEISA-N -1 3 284.294 3.146 20 0 CGADHM C[C@H](Cc1ccco1)Oc1cc2c(cc1[O-])CCC2=O ZINC001228854104 818023872 /nfs/dbraw/zinc/02/38/72/818023872.db2.gz OCQDGQFUROGTGS-SNVBAGLBSA-N -1 3 272.300 3.124 20 0 CGADHM O=C1CCc2cc([O-])c(OC3Cc4ccccc4C3)cc21 ZINC001228857819 818025006 /nfs/dbraw/zinc/02/50/06/818025006.db2.gz OYIXAOBGHNHQGO-UHFFFAOYSA-N -1 3 280.323 3.067 20 0 CGADHM CCN1CC(Oc2ccccc2Oc2ccccc2[O-])C1 ZINC001231218706 818059931 /nfs/dbraw/zinc/05/99/31/818059931.db2.gz NCQVCJOZBOZHPZ-UHFFFAOYSA-N -1 3 285.343 3.267 20 0 CGADHM CCOCC1CCN(Cc2ccc(Cl)c([O-])c2)CC1 ZINC001231738072 818164306 /nfs/dbraw/zinc/16/43/06/818164306.db2.gz ZUKAJMQMLODWPZ-UHFFFAOYSA-N -1 3 283.799 3.294 20 0 CGADHM C[C@@H]1C[C@@H](C)CN(Cc2ccc(F)c([O-])c2F)C1 ZINC001232936931 818478114 /nfs/dbraw/zinc/47/81/14/818478114.db2.gz IPGQMRQYYOCNRQ-NXEZZACHSA-N -1 3 255.308 3.148 20 0 CGADHM CN(CCOc1ccccc1)Cc1cc([O-])c(F)c(F)c1 ZINC001232970582 818487962 /nfs/dbraw/zinc/48/79/62/818487962.db2.gz GZDILOBPAUWEQM-UHFFFAOYSA-N -1 3 293.313 3.181 20 0 CGADHM Nc1nc2cc(-c3cc(Cl)cc(C(=O)[O-])c3)ccc2[nH]1 ZINC001243325503 823348495 /nfs/dbraw/zinc/34/84/95/823348495.db2.gz MNWPOJPGJKJHLX-UHFFFAOYSA-N -1 3 287.706 3.164 20 0 CGADHM Nc1nc2ccc(-c3cc(Cl)cc(C(=O)[O-])c3)cc2[nH]1 ZINC001243325503 823348502 /nfs/dbraw/zinc/34/85/02/823348502.db2.gz MNWPOJPGJKJHLX-UHFFFAOYSA-N -1 3 287.706 3.164 20 0 CGADHM [O-]c1ccc(F)c(CN2CC[C@@H](F)C(F)(F)CC2)c1F ZINC001233393152 818609091 /nfs/dbraw/zinc/60/90/91/818609091.db2.gz FDUZQTOWXCRUHZ-LLVKDONJSA-N -1 3 295.251 3.240 20 0 CGADHM COc1ccc(CN(C)Cc2ccccn2)c(Cl)c1[O-] ZINC001233397638 818610630 /nfs/dbraw/zinc/61/06/30/818610630.db2.gz HCDPSFKKGMZIFU-UHFFFAOYSA-N -1 3 292.766 3.081 20 0 CGADHM [O-]c1ccc(F)c(CN2Cc3cccc(F)c3C2)c1F ZINC001233396045 818611308 /nfs/dbraw/zinc/61/13/08/818611308.db2.gz GHFZWTGJPBHROF-UHFFFAOYSA-N -1 3 279.261 3.325 20 0 CGADHM CCOC(=O)[C@@H]1CC[C@H](Oc2cc(Cl)c([O-])cc2C)C1 ZINC001233592320 818652078 /nfs/dbraw/zinc/65/20/78/818652078.db2.gz LHDKCENOHKIBMI-MNOVXSKESA-N -1 3 298.766 3.465 20 0 CGADHM C[C@H](COc1ccccc1)Oc1ccc2occ([O-])c2c1 ZINC001233677336 818677215 /nfs/dbraw/zinc/67/72/15/818677215.db2.gz ISKVEJQTWHXNPX-GFCCVEGCSA-N -1 3 284.311 3.108 20 0 CGADHM CC(C)(C)C(=O)OC1CC(Oc2cccc([O-])c2F)C1 ZINC001233873256 818722374 /nfs/dbraw/zinc/72/23/74/818722374.db2.gz XETKDXGMMFZFAH-UHFFFAOYSA-N -1 3 282.311 3.030 20 0 CGADHM O=C1CCCC[C@@H]1Oc1c(Cl)ccc([O-])c1F ZINC001234263158 818820231 /nfs/dbraw/zinc/82/02/31/818820231.db2.gz SWJQEXIENDHZFJ-JTQLQIEISA-N -1 3 258.676 3.075 20 0 CGADHM CCCOC[C@@H](C)Oc1c(Cl)ccc([O-])c1F ZINC001234263845 818821355 /nfs/dbraw/zinc/82/13/55/818821355.db2.gz IWMYMVYSXYKTFS-MRVPVSSYSA-N -1 3 262.708 3.379 20 0 CGADHM C[C@@H](COCc1ccccc1)Oc1nc2c(cccc2[O-])[nH]1 ZINC001234447241 818857731 /nfs/dbraw/zinc/85/77/31/818857731.db2.gz LPZLCPPKGKKVCP-LBPRGKRZSA-N -1 3 298.342 3.253 20 0 CGADHM COc1cc([O-])c(C)c(O[C@H]2C=CCCC2)c1C(C)=O ZINC001234790162 818924383 /nfs/dbraw/zinc/92/43/83/818924383.db2.gz DWXMZSCJBVUCKS-LBPRGKRZSA-N -1 3 276.332 3.399 20 0 CGADHM CC(C)Nc1ccnc(-c2cc([O-])cc(Cl)c2)n1 ZINC001235899670 819208804 /nfs/dbraw/zinc/20/88/04/819208804.db2.gz MPUJNFPQHZIGTN-UHFFFAOYSA-N -1 3 263.728 3.323 20 0 CGADHM COC(=O)c1cc(C)nc(-c2cc([O-])cc(Cl)c2)c1 ZINC001235899131 819208896 /nfs/dbraw/zinc/20/88/96/819208896.db2.gz GBXTUPTTXGVZJT-UHFFFAOYSA-N -1 3 277.707 3.203 20 0 CGADHM CCOc1ccc(C)c(F)c1-c1cccc(-c2nnn[n-]2)c1 ZINC001236538319 819527789 /nfs/dbraw/zinc/52/77/89/819527789.db2.gz CKFDERMJMOCFSG-UHFFFAOYSA-N -1 3 298.321 3.380 20 0 CGADHM CCOc1ccc(C)c(F)c1-c1cccc(-c2nn[n-]n2)c1 ZINC001236538319 819527794 /nfs/dbraw/zinc/52/77/94/819527794.db2.gz CKFDERMJMOCFSG-UHFFFAOYSA-N -1 3 298.321 3.380 20 0 CGADHM COc1ccc2c(c1)CN(Cc1ccc(F)c([O-])c1)CC2 ZINC001236701744 819575076 /nfs/dbraw/zinc/57/50/76/819575076.db2.gz GBUZCOKBHZSHAX-UHFFFAOYSA-N -1 3 287.334 3.098 20 0 CGADHM [O-]c1cc(CN2CCCC[C@@H]2C(F)(F)F)ccc1F ZINC001236705380 819577754 /nfs/dbraw/zinc/57/77/54/819577754.db2.gz MMWMQJXJLSPLFC-GFCCVEGCSA-N -1 3 277.261 3.448 20 0 CGADHM COCOc1ccc(-c2cc(F)cc(F)c2[O-])cc1 ZINC001243505891 823424054 /nfs/dbraw/zinc/42/40/54/823424054.db2.gz MNKZWUBRNFOCRP-UHFFFAOYSA-N -1 3 266.243 3.320 20 0 CGADHM C[C@]1(CF)CC(F)(F)CN1Cc1occc1[S-] ZINC001237183218 819689304 /nfs/dbraw/zinc/68/93/04/819689304.db2.gz XYFNXGDHCXYFQI-SNVBAGLBSA-N -1 3 265.300 3.138 20 0 CGADHM COc1cccc2c1CN(Cc1occc1[S-])C2 ZINC001237185086 819689320 /nfs/dbraw/zinc/68/93/20/819689320.db2.gz SNNIVMNRTJWBBT-UHFFFAOYSA-N -1 3 261.346 3.093 20 0 CGADHM COc1ccc2c(c1)CN(Cc1occc1[S-])C2 ZINC001237193137 819695048 /nfs/dbraw/zinc/69/50/48/819695048.db2.gz YNJRYWZADVEWBI-UHFFFAOYSA-N -1 3 261.346 3.093 20 0 CGADHM CN(Cc1cnc(Cl)s1)Cc1cc([O-])cc(F)c1 ZINC001237277926 819715393 /nfs/dbraw/zinc/71/53/93/819715393.db2.gz RDYSGAMUMGGAFW-UHFFFAOYSA-N -1 3 286.759 3.273 20 0 CGADHM Cc1[nH]c2c(ncnc2-c2cccc([O-])c2F)c1C ZINC001243542988 823436348 /nfs/dbraw/zinc/43/63/48/823436348.db2.gz BPTWCFMTEBWPBM-UHFFFAOYSA-N -1 3 257.268 3.086 20 0 CGADHM [O-]c1cccc(-c2ncnc3ccc(F)cc32)c1F ZINC001243544723 823437186 /nfs/dbraw/zinc/43/71/86/823437186.db2.gz UMZBVQACBHFQFS-UHFFFAOYSA-N -1 3 258.227 3.281 20 0 CGADHM CCOC(=O)c1cc(C)cc(-c2cccc([O-])c2F)n1 ZINC001243543972 823437294 /nfs/dbraw/zinc/43/72/94/823437294.db2.gz SWNWAGLYOWNURE-UHFFFAOYSA-N -1 3 275.279 3.078 20 0 CGADHM CSc1ncc(-c2cccc([O-])c2F)c(C)n1 ZINC001243546341 823439115 /nfs/dbraw/zinc/43/91/15/823439115.db2.gz NSVCFFMXFHPKFQ-UHFFFAOYSA-N -1 3 250.298 3.019 20 0 CGADHM COC(=O)c1cccc(-c2cccc([O-])c2F)c1F ZINC001243547488 823439399 /nfs/dbraw/zinc/43/93/99/823439399.db2.gz SBLKZOSUXCVJBJ-UHFFFAOYSA-N -1 3 264.227 3.124 20 0 CGADHM COC(=O)c1cc2[nH]ccc2c(-c2cccc([O-])c2F)c1 ZINC001243547116 823439913 /nfs/dbraw/zinc/43/99/13/823439913.db2.gz MIXWZPJNVRHPAP-UHFFFAOYSA-N -1 3 285.274 3.466 20 0 CGADHM COC(=O)[C@H](C)c1cccc(-c2cccc([O-])c2F)c1 ZINC001243549389 823441014 /nfs/dbraw/zinc/44/10/14/823441014.db2.gz ZWSRNRJVRNXNKT-SNVBAGLBSA-N -1 3 274.291 3.475 20 0 CGADHM COc1c(F)c(-c2ccc(=S)[n-]n2)ccc1Cl ZINC001243574986 823450624 /nfs/dbraw/zinc/45/06/24/823450624.db2.gz VTJCDCYRCNXGRH-UHFFFAOYSA-N -1 3 270.716 3.233 20 0 CGADHM CCOc1ccc(-c2ccc(C)c(-c3nnn[n-]3)c2)cc1 ZINC001239565655 820417730 /nfs/dbraw/zinc/41/77/30/820417730.db2.gz LNKUNWAIEFSZHU-UHFFFAOYSA-N -1 3 280.331 3.241 20 0 CGADHM CCOc1ccc(-c2ccc(C)c(-c3nn[n-]n3)c2)cc1 ZINC001239565655 820417733 /nfs/dbraw/zinc/41/77/33/820417733.db2.gz LNKUNWAIEFSZHU-UHFFFAOYSA-N -1 3 280.331 3.241 20 0 CGADHM Cc1cccc(C)c1-c1ccccc1-c1nnn[n-]1 ZINC001239596771 820443874 /nfs/dbraw/zinc/44/38/74/820443874.db2.gz UOZFLHGGRHBIHF-UHFFFAOYSA-N -1 3 250.305 3.151 20 0 CGADHM Cc1cccc(C)c1-c1ccccc1-c1nn[n-]n1 ZINC001239596771 820443879 /nfs/dbraw/zinc/44/38/79/820443879.db2.gz UOZFLHGGRHBIHF-UHFFFAOYSA-N -1 3 250.305 3.151 20 0 CGADHM Cc1cc(-c2nnn[n-]2)ccc1-c1cc(F)ccc1F ZINC001239711998 820538692 /nfs/dbraw/zinc/53/86/92/820538692.db2.gz SDUKUMMXFNGOOX-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM Cc1cc(-c2nn[n-]n2)ccc1-c1cc(F)ccc1F ZINC001239711998 820538698 /nfs/dbraw/zinc/53/86/98/820538698.db2.gz SDUKUMMXFNGOOX-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM Cc1cccc(-c2cc(-c3nnn[n-]3)ccc2F)c1C ZINC001239716786 820543311 /nfs/dbraw/zinc/54/33/11/820543311.db2.gz VRTSFKXEPSYGKT-UHFFFAOYSA-N -1 3 268.295 3.290 20 0 CGADHM Cc1cccc(-c2cc(-c3nn[n-]n3)ccc2F)c1C ZINC001239716786 820543316 /nfs/dbraw/zinc/54/33/16/820543316.db2.gz VRTSFKXEPSYGKT-UHFFFAOYSA-N -1 3 268.295 3.290 20 0 CGADHM Cc1cc(-c2nnn[n-]2)ccc1-c1ccc2ncsc2c1 ZINC001240346952 820982029 /nfs/dbraw/zinc/98/20/29/820982029.db2.gz AXYLPMLFFJHXGF-UHFFFAOYSA-N -1 3 293.355 3.452 20 0 CGADHM Cc1cc(-c2nn[n-]n2)ccc1-c1ccc2ncsc2c1 ZINC001240346952 820982032 /nfs/dbraw/zinc/98/20/32/820982032.db2.gz AXYLPMLFFJHXGF-UHFFFAOYSA-N -1 3 293.355 3.452 20 0 CGADHM Cc1cc(F)cc(-c2cc(F)cc(-c3nnn[n-]3)c2)c1 ZINC001240597161 821177778 /nfs/dbraw/zinc/17/77/78/821177778.db2.gz MMJKSOBKXWCQKR-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM Cc1cc(F)cc(-c2cc(F)cc(-c3nn[n-]n3)c2)c1 ZINC001240597161 821177782 /nfs/dbraw/zinc/17/77/82/821177782.db2.gz MMJKSOBKXWCQKR-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM COc1cc(-c2ccc3c(N)ccnc3c2)ccc1C(=O)[O-] ZINC001240745516 821296200 /nfs/dbraw/zinc/29/62/00/821296200.db2.gz CASUOZDPEDIEAZ-UHFFFAOYSA-N -1 3 294.310 3.191 20 0 CGADHM C[Si](C)(C)c1cccnc1-c1ccc([O-])c(F)c1 ZINC001240781960 821320587 /nfs/dbraw/zinc/32/05/87/821320587.db2.gz MWPGEXWALUJLNM-UHFFFAOYSA-N -1 3 261.372 3.139 20 0 CGADHM COC(=O)c1ccc(-c2ccc([O-])c(F)c2)c(C)c1 ZINC001240785884 821325411 /nfs/dbraw/zinc/32/54/11/821325411.db2.gz RTNLCQWXVRZVQT-UHFFFAOYSA-N -1 3 260.264 3.293 20 0 CGADHM [O-]c1ccc(-c2ccc(F)c(C3OCCO3)c2)cc1F ZINC001240786977 821327721 /nfs/dbraw/zinc/32/77/21/821327721.db2.gz FCCLEHVOOWEISD-UHFFFAOYSA-N -1 3 278.254 3.383 20 0 CGADHM O=C(c1ccc(-c2ccc([O-])c(F)c2)cc1)N1CCCC1 ZINC001240787790 821329460 /nfs/dbraw/zinc/32/94/60/821329460.db2.gz QKCMFNNHAGNWNY-UHFFFAOYSA-N -1 3 285.318 3.434 20 0 CGADHM CN(C)C(=O)c1ccc(F)c(-c2ccc([O-])c(F)c2)c1 ZINC001240788504 821330614 /nfs/dbraw/zinc/33/06/14/821330614.db2.gz HFRRNELTWBEYMB-UHFFFAOYSA-N -1 3 277.270 3.039 20 0 CGADHM CC1(C)C(=O)NCc2cccc(-c3ccc([O-])c(F)c3)c21 ZINC001240790526 821333873 /nfs/dbraw/zinc/33/38/73/821333873.db2.gz NMRDWTLSBLXVOB-UHFFFAOYSA-N -1 3 285.318 3.106 20 0 CGADHM [O-]c1ccccc1-c1ncnc2c(F)c(F)ccc21 ZINC001241008912 821485789 /nfs/dbraw/zinc/48/57/89/821485789.db2.gz OMQIQZOZCMUFIB-UHFFFAOYSA-N -1 3 258.227 3.281 20 0 CGADHM CCOc1cc(F)cc(-c2ccccc2-c2nnn[n-]2)c1 ZINC001241025046 821499788 /nfs/dbraw/zinc/49/97/88/821499788.db2.gz UJZBJYFRSLUNJL-UHFFFAOYSA-N -1 3 284.294 3.072 20 0 CGADHM CCOc1cc(F)cc(-c2ccccc2-c2nn[n-]n2)c1 ZINC001241025046 821499792 /nfs/dbraw/zinc/49/97/92/821499792.db2.gz UJZBJYFRSLUNJL-UHFFFAOYSA-N -1 3 284.294 3.072 20 0 CGADHM COC(=O)c1cnc(-c2ccc(C)cc2[O-])c2ccn(C)c21 ZINC001241030584 821506231 /nfs/dbraw/zinc/50/62/31/821506231.db2.gz NKODGHMKRSGMNB-UHFFFAOYSA-N -1 3 296.326 3.041 20 0 CGADHM COc1ccc(-c2nnn[n-]2)cc1-c1cc(C)ccc1C ZINC001241193599 821629271 /nfs/dbraw/zinc/62/92/71/821629271.db2.gz YCQVXSUHRASMMF-UHFFFAOYSA-N -1 3 280.331 3.159 20 0 CGADHM COc1ccc(-c2nn[n-]n2)cc1-c1cc(C)ccc1C ZINC001241193599 821629278 /nfs/dbraw/zinc/62/92/78/821629278.db2.gz YCQVXSUHRASMMF-UHFFFAOYSA-N -1 3 280.331 3.159 20 0 CGADHM COc1cccc2ncnc(-c3cc([O-])cc(F)c3)c21 ZINC001241261128 821680297 /nfs/dbraw/zinc/68/02/97/821680297.db2.gz FBJSTSFSJKXTBA-UHFFFAOYSA-N -1 3 270.263 3.150 20 0 CGADHM COC(=O)/C=C/c1cc(C)cnc1-c1cc([O-])cc(F)c1 ZINC001241261625 821681044 /nfs/dbraw/zinc/68/10/44/821681044.db2.gz DLMRTAJPEKUVCF-ONEGZZNKSA-N -1 3 287.290 3.088 20 0 CGADHM CC(C)COc1cncc(-c2cc([O-])cc(F)c2)n1 ZINC001241262211 821681289 /nfs/dbraw/zinc/68/12/89/821681289.db2.gz XOCCLXWZJVKKFV-UHFFFAOYSA-N -1 3 262.284 3.023 20 0 CGADHM C[C@@H]1C(=O)Nc2ccc(-c3cc([O-])cc(F)c3)cc21 ZINC001241265997 821685358 /nfs/dbraw/zinc/68/53/58/821685358.db2.gz BFNCXORZOYDUGH-QMMMGPOBSA-N -1 3 257.264 3.254 20 0 CGADHM COC(=O)c1ccc(-c2cc([O-])cc(F)c2)c(C)c1 ZINC001241267616 821686442 /nfs/dbraw/zinc/68/64/42/821686442.db2.gz ZQRHOXYYIJMAHO-UHFFFAOYSA-N -1 3 260.264 3.293 20 0 CGADHM O=C1CCc2cc(-c3cc([O-])cc(F)c3)ccc2O1 ZINC001241267060 821686567 /nfs/dbraw/zinc/68/65/67/821686567.db2.gz SMAODNHFOMPYTQ-UHFFFAOYSA-N -1 3 258.248 3.050 20 0 CGADHM CCOc1ccc(-c2ccccc2-c2nnn[n-]2)c(C)c1 ZINC001241270974 821690284 /nfs/dbraw/zinc/69/02/84/821690284.db2.gz IMOOTDWBTJPYTK-UHFFFAOYSA-N -1 3 280.331 3.241 20 0 CGADHM CCOc1ccc(-c2ccccc2-c2nn[n-]n2)c(C)c1 ZINC001241270974 821690287 /nfs/dbraw/zinc/69/02/87/821690287.db2.gz IMOOTDWBTJPYTK-UHFFFAOYSA-N -1 3 280.331 3.241 20 0 CGADHM COc1cc(F)c(-c2cc([O-])cc(F)c2)c(F)c1 ZINC001241271510 821690392 /nfs/dbraw/zinc/69/03/92/821690392.db2.gz GJDHANBIVRPTCR-UHFFFAOYSA-N -1 3 254.207 3.485 20 0 CGADHM COCc1ccc(F)c(-c2cc([O-])cc(F)c2)c1 ZINC001241271866 821691149 /nfs/dbraw/zinc/69/11/49/821691149.db2.gz VAYDANQRADJNLT-UHFFFAOYSA-N -1 3 250.244 3.484 20 0 CGADHM COC(=O)c1cccc(-c2cc([O-])cc(F)c2)c1F ZINC001241272689 821691553 /nfs/dbraw/zinc/69/15/53/821691553.db2.gz WCCRFLACTCPHRG-UHFFFAOYSA-N -1 3 264.227 3.124 20 0 CGADHM [O-]c1cc(F)cc(-c2cc(C3OCCO3)ccc2F)c1 ZINC001241277969 821696562 /nfs/dbraw/zinc/69/65/62/821696562.db2.gz SKMLTCJXOIXHKW-UHFFFAOYSA-N -1 3 278.254 3.383 20 0 CGADHM [O-]c1cc(F)cc(-c2ccc3c(c2)CCC32OCCO2)c1 ZINC001241283702 821703252 /nfs/dbraw/zinc/70/32/52/821703252.db2.gz YIBKUJJNXCFGGN-UHFFFAOYSA-N -1 3 286.302 3.344 20 0 CGADHM Cc1cc(C)c(-c2ccc(-c3nnn[n-]3)cc2)cc1C ZINC001241443213 821835589 /nfs/dbraw/zinc/83/55/89/821835589.db2.gz CPLDDMUVCZALNT-UHFFFAOYSA-N -1 3 264.332 3.459 20 0 CGADHM Cc1cc(C)c(-c2ccc(-c3nn[n-]n3)cc2)cc1C ZINC001241443213 821835596 /nfs/dbraw/zinc/83/55/96/821835596.db2.gz CPLDDMUVCZALNT-UHFFFAOYSA-N -1 3 264.332 3.459 20 0 CGADHM Cc1cc(-c2ccc(-c3nnn[n-]3)cc2)cc(C)c1C ZINC001241442928 821835876 /nfs/dbraw/zinc/83/58/76/821835876.db2.gz KEWFDZQKCKOILC-UHFFFAOYSA-N -1 3 264.332 3.459 20 0 CGADHM Cc1cc(-c2ccc(-c3nn[n-]n3)cc2)cc(C)c1C ZINC001241442928 821835886 /nfs/dbraw/zinc/83/58/86/821835886.db2.gz KEWFDZQKCKOILC-UHFFFAOYSA-N -1 3 264.332 3.459 20 0 CGADHM Cc1ccnc2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc12 ZINC001241445949 821840367 /nfs/dbraw/zinc/84/03/67/821840367.db2.gz XSHYUXWQWQNBOP-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM Cc1ccnc2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc12 ZINC001241445949 821840373 /nfs/dbraw/zinc/84/03/73/821840373.db2.gz XSHYUXWQWQNBOP-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM Cc1cnc2cc(-c3ccc(-c4nnn[n-]4)cc3)ccc2c1 ZINC001241446709 821842815 /nfs/dbraw/zinc/84/28/15/821842815.db2.gz NZKKJAWXIDZMDW-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM Cc1cnc2cc(-c3ccc(-c4nn[n-]n4)cc3)ccc2c1 ZINC001241446709 821842819 /nfs/dbraw/zinc/84/28/19/821842819.db2.gz NZKKJAWXIDZMDW-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM Cc1cc(-c2ccc(-c3nnn[n-]3)cc2C)cc2c[nH]nc21 ZINC001241518765 821919768 /nfs/dbraw/zinc/91/97/68/821919768.db2.gz NVOKUVFHEGQRLN-UHFFFAOYSA-N -1 3 290.330 3.027 20 0 CGADHM Cc1cc(-c2ccc(-c3nn[n-]n3)cc2C)cc2c[nH]nc21 ZINC001241518765 821919774 /nfs/dbraw/zinc/91/97/74/821919774.db2.gz NVOKUVFHEGQRLN-UHFFFAOYSA-N -1 3 290.330 3.027 20 0 CGADHM CCCOc1cccc(-c2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC001241590760 821975723 /nfs/dbraw/zinc/97/57/23/821975723.db2.gz OATPSWROMJERPR-UHFFFAOYSA-N -1 3 298.321 3.462 20 0 CGADHM CCCOc1cccc(-c2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC001241590760 821975727 /nfs/dbraw/zinc/97/57/27/821975727.db2.gz OATPSWROMJERPR-UHFFFAOYSA-N -1 3 298.321 3.462 20 0 CGADHM Cc1n[nH]c2cc(-c3nc[n-]c4nc(=S)sc3-4)ccc12 ZINC001241638551 822020736 /nfs/dbraw/zinc/02/07/36/822020736.db2.gz GPKDALLWAZABSQ-UHFFFAOYSA-N -1 3 299.384 3.227 20 0 CGADHM Cc1ccc(-c2cccc(-c3nnn[n-]3)c2)c(F)c1F ZINC001242031012 822295221 /nfs/dbraw/zinc/29/52/21/822295221.db2.gz XITBMGGDYMTDJP-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM Cc1ccc(-c2cccc(-c3nn[n-]n3)c2)c(F)c1F ZINC001242031012 822295228 /nfs/dbraw/zinc/29/52/28/822295228.db2.gz XITBMGGDYMTDJP-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM [O-]c1ccc(-c2cnc3nccnc3c2)cc1C(F)(F)F ZINC001242157054 822898417 /nfs/dbraw/zinc/89/84/17/822898417.db2.gz DBXWCKKCEVLTJO-UHFFFAOYSA-N -1 3 291.232 3.416 20 0 CGADHM Cc1nnc2cc(-c3ccc([O-])c(C(F)(F)F)c3)ccn12 ZINC001242161966 822900189 /nfs/dbraw/zinc/90/01/89/822900189.db2.gz HKGCDMIKIDSVEB-UHFFFAOYSA-N -1 3 293.248 3.429 20 0 CGADHM NC(=O)Cc1ccc(-c2ccc([O-])c(C(F)(F)F)c2)cc1 ZINC001242161806 822900400 /nfs/dbraw/zinc/90/04/00/822900400.db2.gz DZMBICJMBKMPKS-UHFFFAOYSA-N -1 3 295.260 3.106 20 0 CGADHM CC(=O)Nc1cc(-c2ccc([O-])c(C(F)(F)F)c2)ccn1 ZINC001242166742 822900727 /nfs/dbraw/zinc/90/07/27/822900727.db2.gz VSSAKCNGQLPZJR-UHFFFAOYSA-N -1 3 296.248 3.431 20 0 CGADHM COC(=O)c1cc(-c2ccc(F)cc2[O-])ccc1C ZINC001242218032 822914975 /nfs/dbraw/zinc/91/49/75/822914975.db2.gz XKGRFXMSFWDCPY-UHFFFAOYSA-N -1 3 260.264 3.293 20 0 CGADHM CCOC(=O)Cc1cccc(-c2ccc(F)cc2[O-])c1 ZINC001242217668 822915164 /nfs/dbraw/zinc/91/51/64/822915164.db2.gz IOLFWXVXSYJXMC-UHFFFAOYSA-N -1 3 274.291 3.304 20 0 CGADHM O=C1Nc2ccc(-c3ccc(F)cc3[O-])cc2C12CC2 ZINC001242218852 822915755 /nfs/dbraw/zinc/91/57/55/822915755.db2.gz RRGFVNVIYBRVHE-UHFFFAOYSA-N -1 3 269.275 3.182 20 0 CGADHM [O-]c1cc(F)ccc1-c1ccc(OC2CCOCC2)nc1 ZINC001242219710 822916522 /nfs/dbraw/zinc/91/65/22/822916522.db2.gz MLJOTFQGNNNNRP-UHFFFAOYSA-N -1 3 289.306 3.151 20 0 CGADHM [O-]c1c(F)cccc1-c1cncc(-c2ncco2)c1 ZINC001242353366 822962617 /nfs/dbraw/zinc/96/26/17/822962617.db2.gz NIGWTVSCDRZGAX-UHFFFAOYSA-N -1 3 256.236 3.248 20 0 CGADHM COC(=O)c1cc2cc[nH]c2c(-c2cccc(F)c2[O-])c1 ZINC001242352560 822962709 /nfs/dbraw/zinc/96/27/09/822962709.db2.gz YXICMGLEMRVUMJ-UHFFFAOYSA-N -1 3 285.274 3.466 20 0 CGADHM CCOc1ncc(-c2cccc(F)c2[O-])cc1OC ZINC001242354253 822963139 /nfs/dbraw/zinc/96/31/39/822963139.db2.gz VXMRQDNISSNOAK-UHFFFAOYSA-N -1 3 263.268 3.001 20 0 CGADHM CC(C)c1nc(C[N-]c2nnc([C@H]3CCCO3)o2)cs1 ZINC001341832595 936453031 /nfs/dbraw/zinc/45/30/31/936453031.db2.gz WAPKLCQTODVTFZ-SNVBAGLBSA-N -1 3 294.380 3.113 20 0 CGADHM O=C(Oc1cccc(F)c1)c1cccc(Cl)c1[O-] ZINC001350316112 936986726 /nfs/dbraw/zinc/98/67/26/936986726.db2.gz KTKZTBQIASTWGP-UHFFFAOYSA-N -1 3 266.655 3.404 20 0 CGADHM Cc1ccoc1CN(CCC(=O)[O-])Cc1ccccc1 ZINC000692441542 926820049 /nfs/dbraw/zinc/82/00/49/926820049.db2.gz SBFBALPPJUGCTE-UHFFFAOYSA-N -1 3 273.332 3.065 20 0 CGADHM CC(C)c1cc([N-]C(=O)c2cc(Br)co2)no1 ZINC001440286285 937327573 /nfs/dbraw/zinc/32/75/73/937327573.db2.gz DAHUGBJTWLMWQW-UHFFFAOYSA-N -1 3 299.124 3.406 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)Nc1ccc(Cl)cc1 ZINC001440579488 937331732 /nfs/dbraw/zinc/33/17/32/937331732.db2.gz JCIVURQDYAUEPY-UHFFFAOYSA-N -1 3 279.698 3.366 20 0 CGADHM COC(=O)c1ccc(NC(=O)c2ccc(C)cc2[O-])cc1C ZINC001443392411 937347258 /nfs/dbraw/zinc/34/72/58/937347258.db2.gz WSEALYJPILYHQZ-UHFFFAOYSA-N -1 3 299.326 3.048 20 0 CGADHM COc1cccc([O-])c1C(=O)N[C@@H]1CCC[C@H]1C(C)(C)C ZINC001451304742 937389441 /nfs/dbraw/zinc/38/94/41/937389441.db2.gz TXNWFMBVPXONST-VXGBXAGGSA-N -1 3 291.391 3.345 20 0 CGADHM CCc1nc(C(=O)[N-]c2cc(-c3cccs3)on2)co1 ZINC001457925453 937447027 /nfs/dbraw/zinc/44/70/27/937447027.db2.gz UHNWKUJOHITTDM-UHFFFAOYSA-N -1 3 289.316 3.206 20 0 CGADHM C[C@H](Cc1cccs1)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC000315006564 932029026 /nfs/dbraw/zinc/02/90/26/932029026.db2.gz RUMYSJFFAOXMML-RKDXNWHRSA-N -1 3 296.417 3.185 20 0 CGADHM C[C@@H]1C[C@@H](Oc2cccc([O-])c2Br)CCO1 ZINC001229143336 932104925 /nfs/dbraw/zinc/10/49/25/932104925.db2.gz VNHUPUWQUSJZJY-BDAKNGLRSA-N -1 3 287.153 3.101 20 0 CGADHM S=c1nc(OC2CC=CC2)c2ccsc2[n-]1 ZINC001229563578 932172433 /nfs/dbraw/zinc/17/24/33/932172433.db2.gz CEEKCYDPNADPHJ-UHFFFAOYSA-N -1 3 250.348 3.077 20 0 CGADHM Cc1nc(O[C@@H](C)c2ccccc2F)c(C)c(=O)[n-]1 ZINC001229684441 932188683 /nfs/dbraw/zinc/18/86/83/932188683.db2.gz AUQJBDGFBNVPGQ-VIFPVBQESA-N -1 3 262.284 3.078 20 0 CGADHM c1ccc2c(c1)CCC[C@H]2Oc1ccccc1-c1nnn[n-]1 ZINC001229952100 932507426 /nfs/dbraw/zinc/50/74/26/932507426.db2.gz XYRRLFLDHSBOLC-OAHLLOKOSA-N -1 3 292.342 3.323 20 0 CGADHM c1ccc2c(c1)CCC[C@H]2Oc1ccccc1-c1nn[n-]n1 ZINC001229952100 932507430 /nfs/dbraw/zinc/50/74/30/932507430.db2.gz XYRRLFLDHSBOLC-OAHLLOKOSA-N -1 3 292.342 3.323 20 0 CGADHM C[C@@H](Oc1nc(=O)[n-]c2c1SCC2)c1ccc(F)cc1 ZINC001230790728 932624562 /nfs/dbraw/zinc/62/45/62/932624562.db2.gz SHGCKOMQJBTJSG-MRVPVSSYSA-N -1 3 292.335 3.110 20 0 CGADHM CC(C)Oc1cc(COc2cccc([O-])c2F)cnc1F ZINC001233870141 932685152 /nfs/dbraw/zinc/68/51/52/932685152.db2.gz VPCLVXCQFFZNPU-UHFFFAOYSA-N -1 3 295.285 3.432 20 0 CGADHM CSc1ccc([O-])c(C(=O)NCc2ccccc2)c1 ZINC001463657648 937678684 /nfs/dbraw/zinc/67/86/84/937678684.db2.gz FXIDIPDFTJKWGQ-UHFFFAOYSA-N -1 3 273.357 3.044 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2ccc(C)c3c2CCC3)n1 ZINC001467592167 937719434 /nfs/dbraw/zinc/71/94/34/937719434.db2.gz ITZPTZGOTCDHKD-UHFFFAOYSA-N -1 3 282.343 3.145 20 0 CGADHM Cc1ccc(C(=O)Nc2cc([C@H]3C[C@H]3C)[nH]n2)c([O-])c1C ZINC001469429690 937739401 /nfs/dbraw/zinc/73/94/01/937739401.db2.gz ISWDKBMGGMEKIQ-SKDRFNHKSA-N -1 3 285.347 3.108 20 0 CGADHM Cc1cccc(Cl)c1CC(=O)[N-]OC(C)(C)C ZINC001320736450 934094710 /nfs/dbraw/zinc/09/47/10/934094710.db2.gz BKLIILCRQDADCL-UHFFFAOYSA-N -1 3 255.745 3.037 20 0 CGADHM C[C@H](COCC1CCCCC1)NC(=O)c1ccccc1[O-] ZINC001471974177 937771302 /nfs/dbraw/zinc/77/13/02/937771302.db2.gz YMJDGJITZJUSHP-CYBMUJFWSA-N -1 3 291.391 3.107 20 0 CGADHM CC(C)c1ccc(C(=O)N[C@]23C[C@H]2CCC3)c([O-])c1 ZINC001472032083 937771813 /nfs/dbraw/zinc/77/18/13/937771813.db2.gz DEPIUYZMKIUQRX-MLGOLLRUSA-N -1 3 259.349 3.188 20 0 CGADHM C[C@@H](CCCC(=O)[O-])NCc1coc(-c2ccccc2)n1 ZINC001324574842 934527575 /nfs/dbraw/zinc/52/75/75/934527575.db2.gz JXTLCXNTIHKPST-LBPRGKRZSA-N -1 3 288.347 3.075 20 0 CGADHM COc1cc(C=Cc2cc(=O)[n-]c(C3CC3)n2)ccc1F ZINC001325574054 934918904 /nfs/dbraw/zinc/91/89/04/934918904.db2.gz KUUDTSKZMZSVHJ-QHHAFSJGSA-N -1 3 286.306 3.378 20 0 CGADHM CS[C@H]1CC[C@@H](N(C)Cc2ccc(C(=O)[O-])cc2F)C1 ZINC001327341236 935055029 /nfs/dbraw/zinc/05/50/29/935055029.db2.gz NBYCNLYDSRDIPJ-OLZOCXBDSA-N -1 3 297.395 3.240 20 0 CGADHM C[C@@H]1CN([C@H](C(=O)[O-])c2ccccc2Cl)C[C@H](C)S1 ZINC001328739224 935163957 /nfs/dbraw/zinc/16/39/57/935163957.db2.gz DEZIOIGMXIYFRW-CWSCBRNRSA-N -1 3 299.823 3.292 20 0 CGADHM CC(C)(C)O[N-]C(=O)Cc1c[nH]c2cccc(Cl)c12 ZINC001330590707 935300469 /nfs/dbraw/zinc/30/04/69/935300469.db2.gz PLHVHVYUKDPHSR-UHFFFAOYSA-N -1 3 280.755 3.210 20 0 CGADHM CCC1CCC(N(Cc2cc(C(=O)[O-])n[nH]2)C2CC2)CC1 ZINC001331950219 935424999 /nfs/dbraw/zinc/42/49/99/935424999.db2.gz AYQIRVBKUYMACR-UHFFFAOYSA-N -1 3 291.395 3.041 20 0 CGADHM CC(C)c1nc(CN[C@@]2(C)CCCC[C@@H]2C(=O)[O-])cs1 ZINC001332423638 935468615 /nfs/dbraw/zinc/46/86/15/935468615.db2.gz RESAJHYRJKVCTM-DOMZBBRYSA-N -1 3 296.436 3.390 20 0 CGADHM O=C([O-])CCCCCCCNCc1nc2ccccc2o1 ZINC001334829393 936117491 /nfs/dbraw/zinc/11/74/91/936117491.db2.gz UIJVRQUUKHISCP-UHFFFAOYSA-N -1 3 290.363 3.343 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)Nc1ccc2ncccc2c1 ZINC001335301632 936138352 /nfs/dbraw/zinc/13/83/52/936138352.db2.gz WLICKXIXTFSIHY-UHFFFAOYSA-N -1 3 296.301 3.261 20 0 CGADHM CC[C@]1(C)CCN(Cc2ccc([O-])c(F)c2F)C1 ZINC001474349577 937853140 /nfs/dbraw/zinc/85/31/40/937853140.db2.gz WRAJUUFZHVNQHI-CQSZACIVSA-N -1 3 255.308 3.292 20 0 CGADHM Cc1nc(C)c(C(=O)[N-]c2cc(F)c(F)c(F)c2F)o1 ZINC001535466457 938101416 /nfs/dbraw/zinc/10/14/16/938101416.db2.gz KQPKJZSIUQJKSW-UHFFFAOYSA-N -1 3 288.200 3.100 20 0 CGADHM Cc1ccccc1[C@@H](C)C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC001535608038 938102285 /nfs/dbraw/zinc/10/22/85/938102285.db2.gz HAEIOYYFVDUVMQ-LLVKDONJSA-N -1 3 296.330 3.115 20 0 CGADHM Cc1ccccc1[C@H](C)C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC001535608039 938102289 /nfs/dbraw/zinc/10/22/89/938102289.db2.gz HAEIOYYFVDUVMQ-NSHDSACASA-N -1 3 296.330 3.115 20 0 CGADHM Cc1ccc(NC(=O)c2[n-]cnc2C(F)(F)F)cc1F ZINC001540312287 938129876 /nfs/dbraw/zinc/12/98/76/938129876.db2.gz QZPMTMGHZCPIFC-UHFFFAOYSA-N -1 3 287.216 3.128 20 0 CGADHM Cc1ccc(NC(=O)c2nc[n-]c2C(F)(F)F)cc1F ZINC001540312287 938129877 /nfs/dbraw/zinc/12/98/77/938129877.db2.gz QZPMTMGHZCPIFC-UHFFFAOYSA-N -1 3 287.216 3.128 20 0 CGADHM CCOc1cccc(CNC(=O)c2ccc(CC)cc2[O-])c1 ZINC001542577722 938136413 /nfs/dbraw/zinc/13/64/13/938136413.db2.gz HMQAKXYOPKZLTA-UHFFFAOYSA-N -1 3 299.370 3.283 20 0 CGADHM CCc1ccc(C(=O)N[C@@H]2C[C@@]2(C)c2ccccc2)c([O-])c1 ZINC001544978285 938148020 /nfs/dbraw/zinc/14/80/20/938148020.db2.gz BNAHBZDWJDTUGN-MJGOQNOKSA-N -1 3 295.382 3.415 20 0 CGADHM C[C@H](NC(=O)Cc1cccc([O-])c1F)[C@@]12C[C@@H]1CCCC2 ZINC001549877910 938160573 /nfs/dbraw/zinc/16/05/73/938160573.db2.gz MTKZTYQGWIKVJO-PLQHRBFRSA-N -1 3 291.366 3.159 20 0 CGADHM O=C(N[C@H](c1ccncc1)C1CCC1)c1ccccc1[O-] ZINC001550331224 938165675 /nfs/dbraw/zinc/16/56/75/938165675.db2.gz TUDTWAIBTUYVKT-INIZCTEOSA-N -1 3 282.343 3.058 20 0 CGADHM O=C(N[C@@H](c1ccncc1)C1CCC1)c1ccccc1[O-] ZINC001550331226 938165685 /nfs/dbraw/zinc/16/56/85/938165685.db2.gz TUDTWAIBTUYVKT-MRXNPFEDSA-N -1 3 282.343 3.058 20 0 CGADHM CC1(C)CN(C(=O)Cc2cccc([O-])c2F)[C@@H]2CCC[C@@H]21 ZINC001551155382 938176709 /nfs/dbraw/zinc/17/67/09/938176709.db2.gz NDPGTONPZJIUAB-QWHCGFSZSA-N -1 3 291.366 3.111 20 0 CGADHM CSc1ccc([O-])c(C(=O)NCCC2(C)CC2)c1 ZINC001556483311 938204162 /nfs/dbraw/zinc/20/41/62/938204162.db2.gz MLMKMHVROQXNDN-UHFFFAOYSA-N -1 3 265.378 3.034 20 0 CGADHM Cc1cccc([O-])c1C(=O)NC[C@H]1CCC[C@H]1C1CC1 ZINC001557023893 938207342 /nfs/dbraw/zinc/20/73/42/938207342.db2.gz BRMDOMYIJLMWBZ-KGLIPLIRSA-N -1 3 273.376 3.257 20 0 CGADHM CCc1ccc(C(=O)Nc2cccc3c2OCC3)c([O-])c1 ZINC001557508714 938210338 /nfs/dbraw/zinc/21/03/38/938210338.db2.gz HZOGURJGSPJCAU-UHFFFAOYSA-N -1 3 283.327 3.142 20 0 CGADHM CC(C)c1ccc(C(=O)N[C@@H]2[C@H](C)O[C@H](C)[C@H]2C)c([O-])c1 ZINC001557937800 938212468 /nfs/dbraw/zinc/21/24/68/938212468.db2.gz YXZVCNCPQWRSOD-YMEQNVIZSA-N -1 3 291.391 3.057 20 0 CGADHM CC(C)c1ccc(C(=O)N[C@H]2[C@@H](C)[C@H](C)O[C@H]2C)c([O-])c1 ZINC001557937804 938212480 /nfs/dbraw/zinc/21/24/80/938212480.db2.gz YXZVCNCPQWRSOD-YWDSYVAPSA-N -1 3 291.391 3.057 20 0 CGADHM O=C(NC[C@H]1C[C@@H]1Cc1ccccc1)c1ccccc1[O-] ZINC001558809023 938217888 /nfs/dbraw/zinc/21/78/88/938217888.db2.gz ZGHJFNHKDQBUID-LSDHHAIUSA-N -1 3 281.355 3.001 20 0 CGADHM COC(=O)c1cnc(SC[C@@H]2CC3CCC2CC3)[n-]1 ZINC001559400486 938226134 /nfs/dbraw/zinc/22/61/34/938226134.db2.gz GRYVHRUBMPJCDX-ILDUYXDCSA-N -1 3 280.393 3.115 20 0 CGADHM [O-]c1ccccc1-c1nc(CSCc2ccncc2)no1 ZINC001559473611 938227109 /nfs/dbraw/zinc/22/71/09/938227109.db2.gz ZZNHFGCJVUGZDZ-UHFFFAOYSA-N -1 3 299.355 3.271 20 0 CGADHM C[C@@H](CC(F)(F)F)NCc1ccc([O-])c(F)c1F ZINC001560736687 938272889 /nfs/dbraw/zinc/27/28/89/938272889.db2.gz WWHJBKBDSZRDGF-LURJTMIESA-N -1 3 269.213 3.101 20 0 CGADHM O=C([O-])c1ccccc1CNCc1cc(Cl)cs1 ZINC001595255494 949597788 /nfs/dbraw/zinc/59/77/88/949597788.db2.gz SOBXTSBQUPOJPH-UHFFFAOYSA-N -1 3 281.764 3.390 20 0 CGADHM CSc1ccc([O-])c(C(=O)N2CC[C@H]2C(C)(C)C)c1 ZINC001353978763 957708276 /nfs/dbraw/zinc/70/82/76/957708276.db2.gz MUXBHKKNXBDPII-ZDUSSCGKSA-N -1 3 279.405 3.375 20 0 CGADHM Clc1sccc1COc1ccc(-c2nn[n-]n2)cc1 ZINC001592543853 960509215 /nfs/dbraw/zinc/50/92/15/960509215.db2.gz RWJZJHYWFJIEIF-UHFFFAOYSA-N -1 3 292.751 3.161 20 0 CGADHM Cc1ccc(C(=O)N[C@@H](Cc2ccccc2)C2CC2)c([O-])c1 ZINC001565734345 960808797 /nfs/dbraw/zinc/80/87/97/960808797.db2.gz BATNNNVYURPCRG-KRWDZBQOSA-N -1 3 295.382 3.452 20 0 CGADHM CC(C)[C@@](C)(Cc1ccccc1)C(=O)[N-]OCC(F)F ZINC001567475623 961355858 /nfs/dbraw/zinc/35/58/58/961355858.db2.gz QJQYOPLOTFGOAO-OAHLLOKOSA-N -1 3 285.334 3.204 20 0 CGADHM CC(C)CCN(CC(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC001574195467 962297300 /nfs/dbraw/zinc/29/73/00/962297300.db2.gz PKPNJEUFKGSALG-UHFFFAOYSA-N -1 3 287.411 3.375 20 0 CGADHM O=C([O-])c1ccccc1OCCN1CC[C@@H]1c1ccccc1 ZINC001574815424 962319026 /nfs/dbraw/zinc/31/90/26/962319026.db2.gz VDAVMWHIKUUKQS-MRXNPFEDSA-N -1 3 297.354 3.211 20 0 CGADHM CC1CC(CSc2cccc(-c3nnn[n-]3)c2)C1 ZINC001575979928 962432311 /nfs/dbraw/zinc/43/23/11/962432311.db2.gz YFSJVQPHVIIZDI-UHFFFAOYSA-N -1 3 260.366 3.005 20 0 CGADHM CC1CC(CSc2cccc(-c3nn[n-]n3)c2)C1 ZINC001575979928 962432326 /nfs/dbraw/zinc/43/23/26/962432326.db2.gz YFSJVQPHVIIZDI-UHFFFAOYSA-N -1 3 260.366 3.005 20 0 CGADHM Cc1cc(F)c(-c2nnn[n-]2)c(N[C@H]2CCCC23CC3)c1 ZINC001580930759 962748755 /nfs/dbraw/zinc/74/87/55/962748755.db2.gz JCSXTKLTTCTABG-LBPRGKRZSA-N -1 3 287.342 3.059 20 0 CGADHM Cc1cc(F)c(-c2nn[n-]n2)c(N[C@H]2CCCC23CC3)c1 ZINC001580930759 962748768 /nfs/dbraw/zinc/74/87/68/962748768.db2.gz JCSXTKLTTCTABG-LBPRGKRZSA-N -1 3 287.342 3.059 20 0 CGADHM Cc1ccc(CSCC(C)(C)C)cc1-c1nnn[n-]1 ZINC001581201401 962756035 /nfs/dbraw/zinc/75/60/35/962756035.db2.gz CNEKCTAJUCKHQA-UHFFFAOYSA-N -1 3 276.409 3.454 20 0 CGADHM Cc1ccc(CSCC(C)(C)C)cc1-c1nn[n-]n1 ZINC001581201401 962756044 /nfs/dbraw/zinc/75/60/44/962756044.db2.gz CNEKCTAJUCKHQA-UHFFFAOYSA-N -1 3 276.409 3.454 20 0 CGADHM Cc1nocc1[N-]C(=O)c1sc2ncccc2c1Cl ZINC001586345130 963098160 /nfs/dbraw/zinc/09/81/60/963098160.db2.gz BNLLJWDOKYOSDC-UHFFFAOYSA-N -1 3 293.735 3.498 20 0 CGADHM C/C(=C/c1ccccc1C(F)(F)F)CN1CC(C(=O)[O-])C1 ZINC001588488790 963278442 /nfs/dbraw/zinc/27/84/42/963278442.db2.gz RPTHMZXPPZAJNA-POHAHGRESA-N -1 3 299.292 3.125 20 0 CGADHM C/C(=C\CNC(C)(C)c1cccc(Cl)c1F)C(=O)[O-] ZINC001588977527 963335611 /nfs/dbraw/zinc/33/56/11/963335611.db2.gz AHRKAROMQGVJJR-VQHVLOKHSA-N -1 3 285.746 3.335 20 0 CGADHM C[C@H](N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21)c1cccnc1 ZINC001589122689 963340770 /nfs/dbraw/zinc/34/07/70/963340770.db2.gz FUFWFIFBDJXYOT-XZJROXQQSA-N -1 3 282.343 3.045 20 0 CGADHM CC(C)C[C@H](C)CSc1ccc(-c2nnn[n-]2)cn1 ZINC001589549624 964001720 /nfs/dbraw/zinc/00/17/20/964001720.db2.gz AXYBFXBRDOKOGG-JTQLQIEISA-N -1 3 277.397 3.036 20 0 CGADHM CC(C)C[C@H](C)CSc1ccc(-c2nn[n-]n2)cn1 ZINC001589549624 964001729 /nfs/dbraw/zinc/00/17/29/964001729.db2.gz AXYBFXBRDOKOGG-JTQLQIEISA-N -1 3 277.397 3.036 20 0 CGADHM CC(C)c1[nH]c(CNCc2cccc(F)c2)cc1C(=O)[O-] ZINC001591917810 976378526 /nfs/dbraw/zinc/37/85/26/976378526.db2.gz DHHVHCTWRVLJNF-UHFFFAOYSA-N -1 3 290.338 3.265 20 0 CGADHM CC[C@@H](N[C@H](C(=O)[O-])c1cccnc1)c1ccc(C)cc1 ZINC001595277680 980307800 /nfs/dbraw/zinc/30/78/00/980307800.db2.gz XVCUMCDDUWTOOY-CVEARBPZSA-N -1 3 284.359 3.257 20 0 CGADHM CC[C@](NC/C=C/Cl)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595290530 980389879 /nfs/dbraw/zinc/38/98/79/980389879.db2.gz LPELOEKXTBJUSU-ZHAHRWAOSA-N -1 3 288.174 3.372 20 0 CGADHM CC[C@H](C)[C@@H](N[C@H](C(F)F)C1CCCCC1)C(=O)[O-] ZINC001594911893 982418839 /nfs/dbraw/zinc/41/88/39/982418839.db2.gz DVNZHSSLYBKJJM-WCQGTBRESA-N -1 3 277.355 3.289 20 0 CGADHM CCCCN1CCC[C@H]1c1nc(C(=O)[O-])c(C)s1 ZINC001595750754 982429753 /nfs/dbraw/zinc/42/97/53/982429753.db2.gz DBNDEJCSBCKZEJ-JTQLQIEISA-N -1 3 268.382 3.087 20 0 CGADHM CCN(CCSC)[C@@H](C)c1cc(C)c(C(=O)[O-])o1 ZINC001596347031 983796770 /nfs/dbraw/zinc/79/67/70/983796770.db2.gz AKJKMGADCMZGHL-JTQLQIEISA-N -1 3 271.382 3.032 20 0 CGADHM C[C@@H]1CN(Cc2ccc(-c3ccccc3C(=O)[O-])o2)[C@H]1C ZINC001594535072 986145238 /nfs/dbraw/zinc/14/52/38/986145238.db2.gz LOHSPSWMGNVZKR-NEPJUHHUSA-N -1 3 285.343 3.485 20 0 CGADHM CCc1[nH]c(CN2CC3(CCC3)[C@@H]2C(C)C)cc1C(=O)[O-] ZINC001597385063 987593365 /nfs/dbraw/zinc/59/33/65/987593365.db2.gz PYHLKVRTIMNOAZ-HNNXBMFYSA-N -1 3 290.407 3.286 20 0 CGADHM CCc1[nH]c(CNCc2coc3ccccc23)cc1C(=O)[O-] ZINC001597395279 987646248 /nfs/dbraw/zinc/64/62/48/987646248.db2.gz QHZOGKKMGLTPND-UHFFFAOYSA-N -1 3 298.342 3.311 20 0 CGADHM CCc1oc(CN2CC(C3CCCC3)C2)cc1C(=O)[O-] ZINC001597796724 989354850 /nfs/dbraw/zinc/35/48/50/989354850.db2.gz PNXKFDGEBPNMTL-UHFFFAOYSA-N -1 3 277.364 3.162 20 0 CGADHM CN(C)Cc1ccc(-c2ccc(/C=C/C(=O)[O-])o2)s1 ZINC001598248905 991026551 /nfs/dbraw/zinc/02/65/51/991026551.db2.gz PAIGOSIYRMQQON-XBXARRHUSA-N -1 3 277.345 3.168 20 0 CGADHM CC(C)[C@H](C)N([C@H](C)c1ncc(C(=O)[O-])s1)C1CC1 ZINC001590974246 991106175 /nfs/dbraw/zinc/10/61/75/991106175.db2.gz CFAMBJIXVWIAFX-VHSXEESVSA-N -1 3 282.409 3.411 20 0 CGADHM CC(C)C(CNC(C)(C)c1cc(C(=O)[O-])on1)C(C)C ZINC001590990417 991208391 /nfs/dbraw/zinc/20/83/91/991208391.db2.gz ZOCTWQZFELENIR-UHFFFAOYSA-N -1 3 282.384 3.126 20 0 CGADHM C[C@H](NC[C@H]1C[C@@H]1C1CCCC1)c1ncc(C(=O)[O-])s1 ZINC001593252546 994507658 /nfs/dbraw/zinc/50/76/58/994507658.db2.gz SMIHYYWAGZXHLQ-MVWJERBFSA-N -1 3 294.420 3.318 20 0 CGADHM C[C@H](NCc1cc(N)cc(F)c1)c1cc(C(=O)[O-])cs1 ZINC001593292058 994673138 /nfs/dbraw/zinc/67/31/38/994673138.db2.gz GXSDJRXWAPRISW-QMMMGPOBSA-N -1 3 294.351 3.018 20 0 CGADHM FC(F)(F)c1csc(=NCC[C@@H]2CC2(F)F)[n-]1 ZINC000621345466 349503242 /nfs/dbraw/zinc/50/32/42/349503242.db2.gz MVAYBCCXCPVFMF-RXMQYKEDSA-N -1 3 272.242 3.041 20 0 CGADHM Cc1ccc(NC(=O)[C@H]2C[C@H]2C2CCCC2)c([O-])c1 ZINC000650998672 398192126 /nfs/dbraw/zinc/19/21/26/398192126.db2.gz HLWRFFACFOOIPW-STQMWFEESA-N -1 3 259.349 3.465 20 0 CGADHM CN(Cc1c(F)ccc([O-])c1F)C1Cc2ccccc2C1 ZINC000350681538 219046366 /nfs/dbraw/zinc/04/63/66/219046366.db2.gz LBJULGKTTOIGNB-UHFFFAOYSA-N -1 3 289.325 3.270 20 0 CGADHM CC1(c2noc(-c3cc4c(cc3[O-])CCCC4)n2)CC1 ZINC000651420824 398244029 /nfs/dbraw/zinc/24/40/29/398244029.db2.gz VZDQBAXLPWNKEB-UHFFFAOYSA-N -1 3 270.332 3.373 20 0 CGADHM [O-]c1ccc(F)c(CN2CCC[C@H]3CCC[C@@H]32)c1F ZINC000350703432 219048972 /nfs/dbraw/zinc/04/89/72/219048972.db2.gz WCMLBAVYVUWOGL-MFKMUULPSA-N -1 3 267.319 3.435 20 0 CGADHM CCCCc1nnc([N-]C(=O)c2occ3c2CCC3)s1 ZINC000350698251 219049742 /nfs/dbraw/zinc/04/97/42/219049742.db2.gz BEEPKYLRHPNVBT-UHFFFAOYSA-N -1 3 291.376 3.215 20 0 CGADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1CCC[C@@H]1C1CC1 ZINC000621854738 349597368 /nfs/dbraw/zinc/59/73/68/349597368.db2.gz GWRSKYDTUHJSKW-CYBMUJFWSA-N -1 3 299.292 3.426 20 0 CGADHM CC1(C)CCCN1C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621854834 349597649 /nfs/dbraw/zinc/59/76/49/349597649.db2.gz KYKNWDRZPRWLHB-UHFFFAOYSA-N -1 3 287.281 3.426 20 0 CGADHM CC[C@@H]1CN(C(=O)c2ccc(C(C)C)cc2[O-])C[C@@H](C)O1 ZINC000436542537 529380122 /nfs/dbraw/zinc/38/01/22/529380122.db2.gz CYSMTLZGKYTEES-TZMCWYRMSA-N -1 3 291.391 3.155 20 0 CGADHM C[C@H]1C[C@@H]1c1cc(NC(=O)c2cc([O-])ccc2Cl)n[nH]1 ZINC000290309705 197666137 /nfs/dbraw/zinc/66/61/37/197666137.db2.gz FTNOSYQTIDOWMZ-CBAPKCEASA-N -1 3 291.738 3.144 20 0 CGADHM COc1ccc(NC(=O)[C@H]2C[C@H]2C2CCCC2)c([O-])c1 ZINC000651854702 398297646 /nfs/dbraw/zinc/29/76/46/398297646.db2.gz WVGUXFGADXVAQC-STQMWFEESA-N -1 3 275.348 3.166 20 0 CGADHM CC[C@H](NCc1nc(C)ccc1[O-])c1ccccc1F ZINC000651931738 398309893 /nfs/dbraw/zinc/30/98/93/398309893.db2.gz BCYORJCRYSRYLG-AWEZNQCLSA-N -1 3 274.339 3.476 20 0 CGADHM Cc1ccc(C(=O)N[C@@H](C)C2CCCC2)c([O-])c1C ZINC000622372707 349675888 /nfs/dbraw/zinc/67/58/88/349675888.db2.gz VRUPYWHGBUBHQL-LBPRGKRZSA-N -1 3 261.365 3.318 20 0 CGADHM O=C(Nc1ccccc1[O-])c1cnccc1C(F)(F)F ZINC000622322151 349671317 /nfs/dbraw/zinc/67/13/17/349671317.db2.gz BMALPYDPBYVBDA-UHFFFAOYSA-N -1 3 282.221 3.058 20 0 CGADHM CCN(C(=O)Cc1ccc([O-])c(F)c1)c1ccccc1C ZINC000622313676 349671374 /nfs/dbraw/zinc/67/13/74/349671374.db2.gz YBDWVQKXFCYCQA-UHFFFAOYSA-N -1 3 287.334 3.435 20 0 CGADHM CCc1ccc(C(=O)Nc2cnc(CC(C)C)nc2)c([O-])c1 ZINC000622570378 349686639 /nfs/dbraw/zinc/68/66/39/349686639.db2.gz BUHHTJDIXUKEBZ-UHFFFAOYSA-N -1 3 299.374 3.195 20 0 CGADHM CCc1cc(C(=O)N2CC[C@@H](c3ccco3)C2)ccc1[O-] ZINC000365967700 529514552 /nfs/dbraw/zinc/51/45/52/529514552.db2.gz HNDQLFYHPVXJRX-CQSZACIVSA-N -1 3 285.343 3.177 20 0 CGADHM CCc1cc(C(=O)N[C@H]2CCC[C@H]2CC)ccc1[O-] ZINC000436704388 529520075 /nfs/dbraw/zinc/52/00/75/529520075.db2.gz OTLLSNXFPNAQDF-RISCZKNCSA-N -1 3 261.365 3.263 20 0 CGADHM CCC[C@@]1(NC(=O)c2ccc(C(C)C)cc2[O-])CCOC1 ZINC000622596261 349688751 /nfs/dbraw/zinc/68/87/51/349688751.db2.gz RLIHLLKHYPQEOF-QGZVFWFLSA-N -1 3 291.391 3.205 20 0 CGADHM CC[C@@H](Cc1ccccc1)NC(=O)c1cc(OC)ccc1[O-] ZINC000436527663 529544844 /nfs/dbraw/zinc/54/48/44/529544844.db2.gz DSWMDSMUXHCHMY-AWEZNQCLSA-N -1 3 299.370 3.152 20 0 CGADHM CC[C@@H](Cc1ccccc1)NC(=O)c1cccc(C)c1[O-] ZINC000436530647 529545043 /nfs/dbraw/zinc/54/50/43/529545043.db2.gz NEWSBXQWIMRNGV-HNNXBMFYSA-N -1 3 283.371 3.452 20 0 CGADHM CC[C@@H](Cc1ccccc1)NC(=O)c1ccc([O-])c(C)c1 ZINC000436939691 529545092 /nfs/dbraw/zinc/54/50/92/529545092.db2.gz PVQQWHVXGLPQJC-INIZCTEOSA-N -1 3 283.371 3.452 20 0 CGADHM CCc1ccc(-c2nc(-c3cccnc3C)no2)c([O-])c1 ZINC000436886923 529575544 /nfs/dbraw/zinc/57/55/44/529575544.db2.gz VEIPSALISWJQMH-UHFFFAOYSA-N -1 3 281.315 3.375 20 0 CGADHM CCc1ccc(-c2nc(-c3cscn3)no2)c([O-])c1 ZINC000436882838 529575894 /nfs/dbraw/zinc/57/58/94/529575894.db2.gz WUZAFMXPXLTSSK-UHFFFAOYSA-N -1 3 273.317 3.128 20 0 CGADHM CCc1cc(=O)[n-]c(CN(C)[C@H](C)c2ccc(F)cc2)n1 ZINC000177508659 529564835 /nfs/dbraw/zinc/56/48/35/529564835.db2.gz LTTXSRCHRAQTLG-LLVKDONJSA-N -1 3 289.354 3.077 20 0 CGADHM CCc1ccc(C(=O)N(C)C2(C)CCCC2)c([O-])c1 ZINC000436834996 529592836 /nfs/dbraw/zinc/59/28/36/529592836.db2.gz BVQRELWDIKTCLO-UHFFFAOYSA-N -1 3 261.365 3.359 20 0 CGADHM CCc1ccc(C(=O)Nc2ccc3c[nH]nc3c2)c([O-])c1 ZINC000436796379 529610120 /nfs/dbraw/zinc/61/01/20/529610120.db2.gz AEVRFBJZPFZMFO-UHFFFAOYSA-N -1 3 281.315 3.083 20 0 CGADHM CCc1ccc(C(=O)Nc2cnn(CC(C)C)c2)c([O-])c1 ZINC000436836127 529611234 /nfs/dbraw/zinc/61/12/34/529611234.db2.gz XVCKDCSPIOTABC-UHFFFAOYSA-N -1 3 287.363 3.059 20 0 CGADHM O=C(N[C@@H](C(F)F)C1CCCCC1)c1ccc(O)cc1[O-] ZINC000623008619 349749004 /nfs/dbraw/zinc/74/90/04/349749004.db2.gz CEZBBQKEDYEDJW-CYBMUJFWSA-N -1 3 299.317 3.042 20 0 CGADHM COc1cccc2cc(C(=O)[N-]c3c(C)noc3C)oc21 ZINC000623287403 349776329 /nfs/dbraw/zinc/77/63/29/349776329.db2.gz VLTDMMLMRQBAFI-UHFFFAOYSA-N -1 3 286.287 3.299 20 0 CGADHM CCc1cnccc1[C@@H](C)NC(=O)c1cccc(C)c1[O-] ZINC000436793549 529677160 /nfs/dbraw/zinc/67/71/60/529677160.db2.gz SJHZPLAKRZLTNU-GFCCVEGCSA-N -1 3 284.359 3.149 20 0 CGADHM CCc1ccc([O-])c(C(=O)N(CC)C[C@@H](C)CC)c1 ZINC000436874085 529690436 /nfs/dbraw/zinc/69/04/36/529690436.db2.gz UFRPMXXNAZRVDH-LBPRGKRZSA-N -1 3 263.381 3.463 20 0 CGADHM Cc1ccc(OCC(=O)N2CCCc3cccc([O-])c32)cc1 ZINC000155591657 136395496 /nfs/dbraw/zinc/39/54/96/136395496.db2.gz BYKNGUOPIBKCPY-UHFFFAOYSA-N -1 3 297.354 3.059 20 0 CGADHM CCc1nnc([N-]C(=O)c2cc3cccc(C)c3o2)s1 ZINC000041313674 344968323 /nfs/dbraw/zinc/96/83/23/344968323.db2.gz BMJZRCSVLPVLAA-UHFFFAOYSA-N -1 3 287.344 3.407 20 0 CGADHM Cc1ccn(-c2ccc(C(=O)Nc3ccccc3[O-])cc2)n1 ZINC000047064251 345048101 /nfs/dbraw/zinc/04/81/01/345048101.db2.gz YUAZPZJNZARSTQ-UHFFFAOYSA-N -1 3 293.326 3.139 20 0 CGADHM COc1ccc(C(=O)N(C)CCCc2ccccc2)c([O-])c1 ZINC000047163963 345048894 /nfs/dbraw/zinc/04/88/94/345048894.db2.gz GCULESXVJSHBOU-UHFFFAOYSA-N -1 3 299.370 3.106 20 0 CGADHM Cc1nc(-c2cccs2)sc1C(=O)[N-]c1cnoc1 ZINC000623941955 349922794 /nfs/dbraw/zinc/92/27/94/349922794.db2.gz NMCMSNYHVPUOQA-UHFFFAOYSA-N -1 3 291.357 3.420 20 0 CGADHM COc1ccc(C(=O)N(C)Cc2sccc2C)c([O-])c1 ZINC000057290525 345176949 /nfs/dbraw/zinc/17/69/49/345176949.db2.gz IDGDWWSXIHBHKZ-UHFFFAOYSA-N -1 3 291.372 3.043 20 0 CGADHM O=C(CCc1ccco1)Nc1cc(Cl)ccc1[O-] ZINC000067138883 345315916 /nfs/dbraw/zinc/31/59/16/345315916.db2.gz SQVFUSKURWPXJK-UHFFFAOYSA-N -1 3 265.696 3.210 20 0 CGADHM Cc1cccc(NC(=O)c2cc3c(cc2[O-])CCCC3)n1 ZINC000065617043 345275818 /nfs/dbraw/zinc/27/58/18/345275818.db2.gz DUAMPXLAUCNYPK-UHFFFAOYSA-N -1 3 282.343 3.227 20 0 CGADHM COc1ccc(C(=O)N(C)C[C@@H](C)c2ccccc2)c([O-])c1 ZINC000066460272 345295079 /nfs/dbraw/zinc/29/50/79/345295079.db2.gz SLFIVFSWYVJPHN-CYBMUJFWSA-N -1 3 299.370 3.277 20 0 CGADHM C[C@@H](CN(C)C(=O)c1ccccc1[O-])c1ccccc1 ZINC000066460077 345295443 /nfs/dbraw/zinc/29/54/43/345295443.db2.gz ODDPLHPLSYQGLB-ZDUSSCGKSA-N -1 3 269.344 3.268 20 0 CGADHM CCC(CC)n1ccc(CN(CC(=O)[O-])C2CCCC2)n1 ZINC000069996935 345387822 /nfs/dbraw/zinc/38/78/22/345387822.db2.gz HMQGRRXZYGYOSS-UHFFFAOYSA-N -1 3 293.411 3.073 20 0 CGADHM CC1(C)CCCN(Cc2ccc(C(=O)[O-])cc2F)C1 ZINC000070260933 345390148 /nfs/dbraw/zinc/39/01/48/345390148.db2.gz GJCYBSAPQWUGAQ-UHFFFAOYSA-N -1 3 265.328 3.146 20 0 CGADHM Cc1ccc(NC(=O)c2ccn(-c3ccccc3)n2)c([O-])c1 ZINC000073897529 345453820 /nfs/dbraw/zinc/45/38/20/345453820.db2.gz IPFGLYUVFUXJOX-UHFFFAOYSA-N -1 3 293.326 3.139 20 0 CGADHM CO[N-]C(=O)[C@H]1CCCC[C@H]1c1nc2ccccc2s1 ZINC000073084518 345430336 /nfs/dbraw/zinc/43/03/36/345430336.db2.gz GAACLOAOXJHZJR-WDEREUQCSA-N -1 3 290.388 3.248 20 0 CGADHM CC(C)c1cc(C(=O)[N-]c2nc(C3CC3)cs2)on1 ZINC000070771361 345395259 /nfs/dbraw/zinc/39/52/59/345395259.db2.gz RTBAGURYJXAFTO-UHFFFAOYSA-N -1 3 277.349 3.384 20 0 CGADHM O=c1nc(-c2cccnc2)[n-]c2sc3ccccc3c21 ZINC000077251915 345564620 /nfs/dbraw/zinc/56/46/20/345564620.db2.gz PLQDLRSOLQXLCZ-UHFFFAOYSA-N -1 3 279.324 3.200 20 0 CGADHM O=C(CC1CCC1)Nc1ccc(Br)cc1[O-] ZINC000079539216 345645395 /nfs/dbraw/zinc/64/53/95/345645395.db2.gz AYOQMXXWJWFPKJ-UHFFFAOYSA-N -1 3 284.153 3.283 20 0 CGADHM Cc1nccc(C(=O)Nc2cc(C(C)(C)C)ccc2[O-])n1 ZINC000079621550 345649041 /nfs/dbraw/zinc/64/90/41/345649041.db2.gz PXQUGGAFENWDAG-UHFFFAOYSA-N -1 3 285.347 3.040 20 0 CGADHM O=C([O-])CN(Cc1cc(Cl)cc(Cl)c1)C1CC1 ZINC000086751495 345750771 /nfs/dbraw/zinc/75/07/71/345750771.db2.gz NFESCTDJTXLLMR-UHFFFAOYSA-N -1 3 274.147 3.042 20 0 CGADHM CCc1cccc(C(=O)N2CCc3ccccc32)c1[O-] ZINC000081935546 345720622 /nfs/dbraw/zinc/72/06/22/345720622.db2.gz ZWRAPTCEZMYQJU-UHFFFAOYSA-N -1 3 267.328 3.158 20 0 CGADHM CC(C)[C@@H]1CCCN(Cc2ccc(C(=O)[O-])o2)CC1 ZINC000083729590 345727425 /nfs/dbraw/zinc/72/74/25/345727425.db2.gz XLSABCXDCIDSHX-GFCCVEGCSA-N -1 3 265.353 3.236 20 0 CGADHM Cc1ccc([O-])c(CN2CCCC[C@@H]2c2cccn2C)n1 ZINC000093845342 345891107 /nfs/dbraw/zinc/89/11/07/345891107.db2.gz VWQWQHMOUGRNJD-MRXNPFEDSA-N -1 3 285.391 3.161 20 0 CGADHM O=C([O-])CC1CCN(CCSc2ccc(F)cc2)CC1 ZINC000093680921 345883814 /nfs/dbraw/zinc/88/38/14/345883814.db2.gz MSRLHYZCPJCANG-UHFFFAOYSA-N -1 3 297.395 3.105 20 0 CGADHM Cc1noc(C)c1[C@@H](C)NC(=O)c1ccc(C)c(C)c1[O-] ZINC000113989588 345963336 /nfs/dbraw/zinc/96/33/36/345963336.db2.gz QQCBVSYSWNTPRG-SNVBAGLBSA-N -1 3 288.347 3.105 20 0 CGADHM Clc1ccccc1CNc1ccc(-c2nnn[n-]2)cc1 ZINC000115656334 345972642 /nfs/dbraw/zinc/97/26/42/345972642.db2.gz WVFSGTLTWQMJFJ-UHFFFAOYSA-N -1 3 285.738 3.132 20 0 CGADHM Clc1ccccc1CNc1ccc(-c2nn[n-]n2)cc1 ZINC000115656334 345972645 /nfs/dbraw/zinc/97/26/45/345972645.db2.gz WVFSGTLTWQMJFJ-UHFFFAOYSA-N -1 3 285.738 3.132 20 0 CGADHM O=C(/C=C/SCc1ccco1)[N-]OCc1ccccc1 ZINC000175673872 232323538 /nfs/dbraw/zinc/32/35/38/232323538.db2.gz VPSORROQXGCYDQ-CSKARUKUSA-N -1 3 289.356 3.275 20 0 CGADHM C[C@@H](Cc1ccccc1)C(=O)Nc1cccc([O-])c1F ZINC000128372580 346040401 /nfs/dbraw/zinc/04/04/01/346040401.db2.gz WBPHVGROLVMKIR-NSHDSACASA-N -1 3 273.307 3.349 20 0 CGADHM O=C(NCc1ccc([O-])c(F)c1)c1cccc(Cl)c1 ZINC000133004230 346075104 /nfs/dbraw/zinc/07/51/04/346075104.db2.gz LUOMLYSWADTJAR-UHFFFAOYSA-N -1 3 279.698 3.115 20 0 CGADHM C[C@H]1CN(Cc2ccc(C(=O)[O-])cc2F)CC[C@@H]1C ZINC000131562473 346065831 /nfs/dbraw/zinc/06/58/31/346065831.db2.gz FFHVOOIQAXFCDC-QWRGUYRKSA-N -1 3 265.328 3.002 20 0 CGADHM Cc1cc(C(=O)N[C@@H]2CCc3ccccc32)ccc1[O-] ZINC000142075957 346110120 /nfs/dbraw/zinc/11/01/20/346110120.db2.gz LCMZVIJNZMGGSM-OAHLLOKOSA-N -1 3 267.328 3.118 20 0 CGADHM CCOc1ccc(C(=O)Nc2cccc(C(C)=O)c2[O-])cc1 ZINC000147578468 346126153 /nfs/dbraw/zinc/12/61/53/346126153.db2.gz FRWQGCGUAFAHGT-UHFFFAOYSA-N -1 3 299.326 3.246 20 0 CGADHM C[C@@H]1CCCC[C@@H]1CNC(=O)NCc1ccc([O-])c(F)c1 ZINC000157729516 346162666 /nfs/dbraw/zinc/16/26/66/346162666.db2.gz OJDQNOMHVWWNBZ-DGCLKSJQSA-N -1 3 294.370 3.157 20 0 CGADHM CC[C@H](CSC)N(C)Cc1ccsc1C(=O)[O-] ZINC000167728484 346189183 /nfs/dbraw/zinc/18/91/83/346189183.db2.gz QULFFJRSDWYMSN-SNVBAGLBSA-N -1 3 273.423 3.020 20 0 CGADHM C[C@@H]1CCC[C@H]1CC(=O)Nc1cccc([O-])c1F ZINC000187722948 346260803 /nfs/dbraw/zinc/26/08/03/346260803.db2.gz UZEXFXXXDIFJND-ZJUUUORDSA-N -1 3 251.301 3.296 20 0 CGADHM Cc1cc(CN2CCC[C@H]3CCC[C@H]32)oc1C(=O)[O-] ZINC000228023549 346312582 /nfs/dbraw/zinc/31/25/82/346312582.db2.gz WDWIFNSITMXNPG-DGCLKSJQSA-N -1 3 263.337 3.051 20 0 CGADHM C[C@@H]1CCN(Cc2ccc(C(=O)[O-])c(F)c2)C[C@@H]1C ZINC000235325940 346335144 /nfs/dbraw/zinc/33/51/44/346335144.db2.gz FIMPPGOQKGMWDV-MNOVXSKESA-N -1 3 265.328 3.002 20 0 CGADHM Cc1ccc(CN2CCCC[C@H]2C(=O)[O-])c(Cl)c1 ZINC000235872977 346337763 /nfs/dbraw/zinc/33/77/63/346337763.db2.gz DURZZWLSDMNUPX-ZDUSSCGKSA-N -1 3 267.756 3.088 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)N2CC[C@@H](Cc3ccccc3)C2)n1 ZINC000248762386 346378809 /nfs/dbraw/zinc/37/88/09/346378809.db2.gz QZBQCDAVEIZNBS-ZBFHGGJFSA-N -1 3 297.402 3.116 20 0 CGADHM CSCC1(CC(=O)N2CCCc3cccc([O-])c32)CC1 ZINC000593568565 347091653 /nfs/dbraw/zinc/09/16/53/347091653.db2.gz JQKWCHNSSWEUED-UHFFFAOYSA-N -1 3 291.416 3.205 20 0 CGADHM Cc1cc(N2CC[C@](C(=O)[O-])(C(C)C)C2)c2ccccc2n1 ZINC000318619530 346487026 /nfs/dbraw/zinc/48/70/26/346487026.db2.gz YLPRMEVJOFVBSI-GOSISDBHSA-N -1 3 298.386 3.480 20 0 CGADHM Cc1cccc(C(=O)NC(C2CCC2)C2CCC2)c1[O-] ZINC000325389862 346491094 /nfs/dbraw/zinc/49/10/94/346491094.db2.gz ZMINJCCPMGHECB-UHFFFAOYSA-N -1 3 273.376 3.399 20 0 CGADHM O=C(Nc1ccc([O-])cc1Cl)C1CCSCC1 ZINC000402174445 346594508 /nfs/dbraw/zinc/59/45/08/346594508.db2.gz WOQCTEMYBUYXJE-UHFFFAOYSA-N -1 3 271.769 3.127 20 0 CGADHM C[C@@H](CCC(C)(C)C)[N-]S(=O)(=O)c1ccccc1F ZINC000386277469 346567571 /nfs/dbraw/zinc/56/75/71/346567571.db2.gz QFFSKQUBFWHHMY-NSHDSACASA-N -1 3 287.400 3.319 20 0 CGADHM C[C@@H]1CCCCN1Cc1c(Cl)cccc1C(=O)[O-] ZINC000584785333 346714278 /nfs/dbraw/zinc/71/42/78/346714278.db2.gz HAYPGCXQQZFCJK-SNVBAGLBSA-N -1 3 267.756 3.413 20 0 CGADHM CCc1cc(=O)[n-]c(CSCc2ncccc2Cl)n1 ZINC000600622865 347816475 /nfs/dbraw/zinc/81/64/75/347816475.db2.gz OKPVJQBNXYFVPM-UHFFFAOYSA-N -1 3 295.795 3.226 20 0 CGADHM Cc1ccc(NC(=O)CO[C@@H]2CCC[C@H](C)C2)c([O-])c1 ZINC000602941922 348045789 /nfs/dbraw/zinc/04/57/89/348045789.db2.gz ALODAFLTKWTYJL-WCQYABFASA-N -1 3 277.364 3.234 20 0 CGADHM [O-]c1cccc(CN[C@@H]2CCC[C@@H]2OC(F)F)c1Cl ZINC000339389895 215140373 /nfs/dbraw/zinc/14/03/73/215140373.db2.gz FPFAMQONATYLRG-KOLCDFICSA-N -1 3 291.725 3.296 20 0 CGADHM Cc1cc(C)cc(-c2cc(=NC(=O)CCC3CC3)[nH][n-]2)c1 ZINC000604601417 348126331 /nfs/dbraw/zinc/12/63/31/348126331.db2.gz KHIARCGVULYRRK-UHFFFAOYSA-N -1 3 283.375 3.244 20 0 CGADHM CCN(Cc1ccc(Cl)cc1Cl)[C@H](C)C(=O)[O-] ZINC000604773255 348133368 /nfs/dbraw/zinc/13/33/68/348133368.db2.gz UBVDBWFUNCGUHY-MRVPVSSYSA-N -1 3 276.163 3.288 20 0 CGADHM CCN(Cc1cccc(Cl)c1Cl)[C@H](C)C(=O)[O-] ZINC000604773258 348133618 /nfs/dbraw/zinc/13/36/18/348133618.db2.gz UFJIGYHUNDVHFH-MRVPVSSYSA-N -1 3 276.163 3.288 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])c1onc2c1CCCC2 ZINC000612754472 348544132 /nfs/dbraw/zinc/54/41/32/348544132.db2.gz MXAITYKNESYIJK-UHFFFAOYSA-N -1 3 292.722 3.165 20 0 CGADHM [O-]c1ccc(F)c(CN2CCc3ccccc32)c1F ZINC000351978894 219273427 /nfs/dbraw/zinc/27/34/27/219273427.db2.gz CSQMPKROAVEUFW-UHFFFAOYSA-N -1 3 261.271 3.233 20 0 CGADHM C[C@H]1CCCN(C(=O)Cc2cncc([O-])c2)c2ccccc21 ZINC000613487792 348610129 /nfs/dbraw/zinc/61/01/29/348610129.db2.gz LBJRCEPKFOINRM-ZDUSSCGKSA-N -1 3 296.370 3.260 20 0 CGADHM [O-]c1cc(F)cc(CN2CCO[C@H](C3CCCCC3)C2)c1 ZINC000351981353 219275916 /nfs/dbraw/zinc/27/59/16/219275916.db2.gz KDQHHQPOSLWJDQ-KRWDZBQOSA-N -1 3 293.382 3.312 20 0 CGADHM CC(C)(CC(=O)Nc1[nH][n-]c2cc(=O)ccc1-2)C1CC1 ZINC000615134183 348716938 /nfs/dbraw/zinc/71/69/38/348716938.db2.gz VPEOITAOMPCLLJ-UHFFFAOYSA-N -1 3 273.336 3.033 20 0 CGADHM C[C@H]1CC[C@@H](CC(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)C1 ZINC000615137219 348717822 /nfs/dbraw/zinc/71/78/22/348717822.db2.gz BMQQKDVFRSVLPJ-VHSXEESVSA-N -1 3 273.336 3.033 20 0 CGADHM Cc1ccc(C(=O)NCc2ccc([C@H]3C[C@@H]3C)o2)c([O-])c1 ZINC000614752608 348692576 /nfs/dbraw/zinc/69/25/76/348692576.db2.gz DBRQYRZJQQXWNO-FZMZJTMJSA-N -1 3 285.343 3.347 20 0 CGADHM CC(=O)c1cccc(NC(=O)[C@@H](C)Cc2ccco2)c1[O-] ZINC000614861755 348696927 /nfs/dbraw/zinc/69/69/27/348696927.db2.gz SWNDBLULCZRZPF-JTQLQIEISA-N -1 3 287.315 3.005 20 0 CGADHM CCc1cc(C(=O)N2[C@@H](C)CCC2(C)C)ccc1[O-] ZINC000616165960 348792736 /nfs/dbraw/zinc/79/27/36/348792736.db2.gz RJLXRVNTLMDNMB-NSHDSACASA-N -1 3 261.365 3.358 20 0 CGADHM CCc1nocc1C(=O)[N-]c1c(OC)cccc1SC ZINC000616350317 348813377 /nfs/dbraw/zinc/81/33/77/348813377.db2.gz DLWJTGLGOLAZAJ-UHFFFAOYSA-N -1 3 292.360 3.220 20 0 CGADHM Cc1ccc(C(=O)N2C[C@@H]3CCCC[C@@H]32)c([O-])c1C ZINC000616725091 348874019 /nfs/dbraw/zinc/87/40/19/348874019.db2.gz HRVQMMDVKMLGTK-JSGCOSHPSA-N -1 3 259.349 3.024 20 0 CGADHM CC(C)c1cccc(C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)c1 ZINC000616824855 348880083 /nfs/dbraw/zinc/88/00/83/348880083.db2.gz PGQDFUMCYGIBNZ-HNNXBMFYSA-N -1 3 299.374 3.059 20 0 CGADHM CC(C)COCCC(=O)Nc1ccc([O-])cc1Cl ZINC000616941750 348885796 /nfs/dbraw/zinc/88/57/96/348885796.db2.gz DLOJJDREWQDQDE-UHFFFAOYSA-N -1 3 271.744 3.047 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-]CC[C@@H]2CCCC[C@H]2C)o1 ZINC000358424987 233131088 /nfs/dbraw/zinc/13/10/88/233131088.db2.gz HJAVLTPSPVYNPX-YPMHNXCESA-N -1 3 285.409 3.083 20 0 CGADHM Cc1cc(C)c(-c2cc(=NC(=O)C3CCC3)[nH][n-]2)cc1C ZINC000617357537 348952783 /nfs/dbraw/zinc/95/27/83/348952783.db2.gz YAILJLZOKLAIRM-UHFFFAOYSA-N -1 3 283.375 3.162 20 0 CGADHM CC1(C)CN(C(=O)c2ccccc2[O-])CCc2ccccc21 ZINC000617520239 348965418 /nfs/dbraw/zinc/96/54/18/348965418.db2.gz LARDWJJDDQNFDZ-UHFFFAOYSA-N -1 3 295.382 3.368 20 0 CGADHM CCC(C)(C)[C@@H](C)NC(=O)Cc1ccc([O-])c(F)c1 ZINC000617567258 348970704 /nfs/dbraw/zinc/97/07/04/348970704.db2.gz FTEFTXSOXSNEKQ-SNVBAGLBSA-N -1 3 267.344 3.015 20 0 CGADHM O=c1[n-]c(-c2cccc(O)c2)nc2cc(Cl)ccc12 ZINC000339563554 215245180 /nfs/dbraw/zinc/24/51/80/215245180.db2.gz VLMKGIZZDFVLNN-UHFFFAOYSA-N -1 3 272.691 3.361 20 0 CGADHM COc1ccc(C(=O)N2CCC(C3CCC3)CC2)c([O-])c1 ZINC000617774065 349006558 /nfs/dbraw/zinc/00/65/58/349006558.db2.gz MKHFDDCNBBMISA-UHFFFAOYSA-N -1 3 289.375 3.053 20 0 CGADHM CC(C)(CCNC(=O)c1ccc(O)cc1[O-])c1ccccc1 ZINC000619616200 349262712 /nfs/dbraw/zinc/26/27/12/349262712.db2.gz SNIPITTUEYMNMM-UHFFFAOYSA-N -1 3 299.370 3.196 20 0 CGADHM C[C@H]1CCCN(Cc2ccc(C(=O)[O-])cc2F)CC1 ZINC000104354959 185981263 /nfs/dbraw/zinc/98/12/63/185981263.db2.gz MBGTUIMSIRVNKV-NSHDSACASA-N -1 3 265.328 3.146 20 0 CGADHM C[C@@](CO)(NCc1cc([O-])ccc1Cl)c1ccccc1 ZINC000625156794 350134386 /nfs/dbraw/zinc/13/43/86/350134386.db2.gz XJESIWNTVIIISL-INIZCTEOSA-N -1 3 291.778 3.043 20 0 CGADHM C/C(=C\c1ccccc1)CN(C)C(=O)c1csc(=O)[n-]1 ZINC000352066338 219308770 /nfs/dbraw/zinc/30/87/70/219308770.db2.gz XJFWZNJJNNHTSR-DHZHZOJOSA-N -1 3 288.372 3.024 20 0 CGADHM CCO[C@@H]1CCCN(Cc2cc([O-])ccc2Cl)C1 ZINC000625180792 350137629 /nfs/dbraw/zinc/13/76/29/350137629.db2.gz QVXCXTYYEAELGN-CYBMUJFWSA-N -1 3 269.772 3.047 20 0 CGADHM [O-]c1ccc(Cl)c(CN2CCO[C@@H](c3ccco3)C2)c1 ZINC000625217119 350142232 /nfs/dbraw/zinc/14/22/32/350142232.db2.gz KJCYBGSCMNJSKH-OAHLLOKOSA-N -1 3 293.750 3.212 20 0 CGADHM O=C(c1cc(-c2ccco2)[n-]n1)N1CCc2c1cccc2F ZINC000359378270 233308661 /nfs/dbraw/zinc/30/86/61/233308661.db2.gz AZUWWGUWEHUVKH-UHFFFAOYSA-N -1 3 297.289 3.012 20 0 CGADHM O=C(c1cc(-c2ccco2)n[n-]1)N1CCc2c1cccc2F ZINC000359378270 233308665 /nfs/dbraw/zinc/30/86/65/233308665.db2.gz AZUWWGUWEHUVKH-UHFFFAOYSA-N -1 3 297.289 3.012 20 0 CGADHM CCc1nocc1CN(C)Cc1cc([O-])ccc1Cl ZINC000625448773 350173272 /nfs/dbraw/zinc/17/32/72/350173272.db2.gz QBNLFDIVAMFFAY-UHFFFAOYSA-N -1 3 280.755 3.228 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1[C@H](C)C[C@@H]2CCCC[C@H]21 ZINC000625695447 350196674 /nfs/dbraw/zinc/19/66/74/350196674.db2.gz NONXLMGDCQCRPF-HZSPNIEDSA-N -1 3 273.376 3.494 20 0 CGADHM C/C=C/C[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000625561884 350184143 /nfs/dbraw/zinc/18/41/43/350184143.db2.gz UQPQUFLVPYXVRN-ONEGZZNKSA-N -1 3 294.203 3.156 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CCCC[C@@H]1C(C)C ZINC000625704231 350200766 /nfs/dbraw/zinc/20/07/66/350200766.db2.gz HFASPDTUVGPWCP-CYBMUJFWSA-N -1 3 261.365 3.351 20 0 CGADHM O=C([O-])[C@@H]1CCC[C@@H]1NCc1csc(Cl)c1Cl ZINC000625969104 350236924 /nfs/dbraw/zinc/23/69/24/350236924.db2.gz PHBMQVNUWRKWEE-SFYZADRCSA-N -1 3 294.203 3.398 20 0 CGADHM CCn1cc(C(=O)Nc2cc(Cl)cc(C)c2[O-])c(C)n1 ZINC000626281059 350291428 /nfs/dbraw/zinc/29/14/28/350291428.db2.gz DFWNEXWPONGDML-UHFFFAOYSA-N -1 3 293.754 3.131 20 0 CGADHM CCO[C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1[O-])C1CC1 ZINC000626916327 350347721 /nfs/dbraw/zinc/34/77/21/350347721.db2.gz XUNUNASSNUDINB-OAHLLOKOSA-N -1 3 291.391 3.443 20 0 CGADHM Cc1cc(=O)[n-]c(C(C)(C)NC[C@@H]2C[C@H]2c2ccccc2)n1 ZINC000628374966 350520230 /nfs/dbraw/zinc/52/02/30/350520230.db2.gz PUNBNMJOOSRQNV-GJZGRUSLSA-N -1 3 297.402 3.119 20 0 CGADHM CCc1cc(C(=O)N2C[C@@H](C)C(F)(F)[C@H](C)C2)ccc1[O-] ZINC000628400982 350527317 /nfs/dbraw/zinc/52/73/17/350527317.db2.gz NERUCWVYYBYCMT-GHMZBOCLSA-N -1 3 297.345 3.318 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CC[C@H]3CC[C@@H](C2)S3)c1 ZINC000628650528 350584904 /nfs/dbraw/zinc/58/49/04/350584904.db2.gz BCTOHEJFZGQKLN-OLZOCXBDSA-N -1 3 291.416 3.065 20 0 CGADHM C[C@@H]1CN(Cc2cc3cc(F)ccc3o2)CC[C@@H]1C(=O)[O-] ZINC000629772740 350766746 /nfs/dbraw/zinc/76/67/46/350766746.db2.gz WDPMEYRFWDJNGK-YGRLFVJLSA-N -1 3 291.322 3.115 20 0 CGADHM C[C@H]1CN(Cc2cc3cc(F)ccc3o2)CC[C@@H]1C(=O)[O-] ZINC000629772737 350766847 /nfs/dbraw/zinc/76/68/47/350766847.db2.gz WDPMEYRFWDJNGK-HZMBPMFUSA-N -1 3 291.322 3.115 20 0 CGADHM C/C=C\C[C@H]1CCCN(C(=O)c2ccc3[nH][n-]c(=O)c3c2)C1 ZINC000629868912 350777400 /nfs/dbraw/zinc/77/74/00/350777400.db2.gz DDQFAUZREAEING-DLGQBQFBSA-N -1 3 299.374 3.087 20 0 CGADHM C/C=C\C[C@@H]1CCCN(C(=O)c2ccc([O-])c(OC)c2)C1 ZINC000629874196 350781859 /nfs/dbraw/zinc/78/18/59/350781859.db2.gz SLXQUTQCDSRBAF-DHCBQETCSA-N -1 3 289.375 3.219 20 0 CGADHM C/C=C\C[C@@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC000629875581 350782831 /nfs/dbraw/zinc/78/28/31/350782831.db2.gz CSEGIQPKIZWXPD-XQJDBVBESA-N -1 3 259.349 3.211 20 0 CGADHM C/C=C\C[C@H]1CCCN(C(=O)c2cc(OC)ccc2[O-])C1 ZINC000629878679 350783685 /nfs/dbraw/zinc/78/36/85/350783685.db2.gz OSYXAENJERRUKI-SCOBNMCVSA-N -1 3 289.375 3.219 20 0 CGADHM C[C@H](NC[C@H]1CCCC[C@H]1C)c1nc(C(=O)[O-])cs1 ZINC000630465316 350844522 /nfs/dbraw/zinc/84/45/22/350844522.db2.gz SEPVOPUJSJITOP-OUAUKWLOSA-N -1 3 282.409 3.318 20 0 CGADHM CSC[C@H]1CCCN1C(=O)c1cc([O-])ccc1Cl ZINC000291385964 198006710 /nfs/dbraw/zinc/00/67/10/198006710.db2.gz VZAJUCDHGNQSHR-SECBINFHSA-N -1 3 285.796 3.013 20 0 CGADHM O=C(c1ccc2n[n-]nc2c1)N1CCC[C@@H](C2CCC2)CC1 ZINC000634521560 351503516 /nfs/dbraw/zinc/50/35/16/351503516.db2.gz OGGXBUDZPRDVQF-CYBMUJFWSA-N -1 3 298.390 3.000 20 0 CGADHM Cc1[n-]n(Cc2ccc(C(F)(F)F)cc2)c(=O)c1C1CC1 ZINC000634590469 351527198 /nfs/dbraw/zinc/52/71/98/351527198.db2.gz AQRPMPZGMWCINL-ZDUSSCGKSA-N -1 3 296.292 3.450 20 0 CGADHM CCc1[n-]n(-c2ccc(OC)cc2)c(=O)c1C(C)C ZINC000634593294 351529644 /nfs/dbraw/zinc/52/96/44/351529644.db2.gz KZRJTJSUXGKTGA-CQSZACIVSA-N -1 3 260.337 3.080 20 0 CGADHM Cc1cc([N-]S(=O)(=O)CCc2cccs2)cs1 ZINC000634797724 351587492 /nfs/dbraw/zinc/58/74/92/351587492.db2.gz SSDRYJGOUISIOK-UHFFFAOYSA-N -1 3 287.431 3.102 20 0 CGADHM Cc1ncc([C@@H](C)NCc2ccc(C(=O)[O-])cc2)s1 ZINC000635317830 351650661 /nfs/dbraw/zinc/65/06/61/351650661.db2.gz WRSTTYOCKNEARU-SECBINFHSA-N -1 3 276.361 3.001 20 0 CGADHM CCc1cc(C(=O)N2CCc3cc(OC)ccc32)ccc1[O-] ZINC000291582879 198042370 /nfs/dbraw/zinc/04/23/70/198042370.db2.gz VAYQNFWJYGUFQP-UHFFFAOYSA-N -1 3 297.354 3.166 20 0 CGADHM C[C@]1(C2CCCCC2)CCN1C(=O)c1csc(=O)[n-]1 ZINC000636385953 351748684 /nfs/dbraw/zinc/74/86/84/351748684.db2.gz TXAWVHUHGRVDIA-CQSZACIVSA-N -1 3 280.393 3.034 20 0 CGADHM CCOc1ccc(NC(=O)[N-]OC[C@@H](C)CC)cc1OC ZINC000291676964 198059994 /nfs/dbraw/zinc/05/99/94/198059994.db2.gz BWCGVAFQSLOLEO-NSHDSACASA-N -1 3 296.367 3.193 20 0 CGADHM O=C(Nc1cscc1Cl)c1cc(=O)[n-]c(C2CC2)n1 ZINC000636437755 351760751 /nfs/dbraw/zinc/76/07/51/351760751.db2.gz BLMUMOUKXABDLZ-UHFFFAOYSA-N -1 3 295.751 3.027 20 0 CGADHM CS[C@H]1CCCCN(C(=O)c2ccc(C)c(C)c2[O-])C1 ZINC000123175823 187075808 /nfs/dbraw/zinc/07/58/08/187075808.db2.gz BMNAKFXDXGTKNC-ZDUSSCGKSA-N -1 3 293.432 3.367 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)Cc1c(C)[nH]c2ccccc21 ZINC000292065888 198151154 /nfs/dbraw/zinc/15/11/54/198151154.db2.gz HSRHRJWWSNLKOE-NSHDSACASA-N -1 3 274.364 3.113 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)CCC(=O)c1ccc(C)s1 ZINC000292148124 198182169 /nfs/dbraw/zinc/18/21/69/198182169.db2.gz RSVHPORRHQBOSD-JTQLQIEISA-N -1 3 283.393 3.113 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CC3(CCC3)[C@@H]2C2CC2)c1 ZINC000292200595 198200006 /nfs/dbraw/zinc/20/00/06/198200006.db2.gz ZTONJVAJTFTUCD-HNNXBMFYSA-N -1 3 271.360 3.105 20 0 CGADHM O=C([N-]c1cccc(F)c1F)c1ocnc1C1CC1 ZINC000336460274 213328170 /nfs/dbraw/zinc/32/81/70/213328170.db2.gz AWTOVNMWZSNHSI-UHFFFAOYSA-N -1 3 264.231 3.083 20 0 CGADHM O=C([O-])C1(CNCc2c(Cl)cccc2Cl)CCC1 ZINC000417620873 304030382 /nfs/dbraw/zinc/03/03/82/304030382.db2.gz LXYREOUDJWVLMN-UHFFFAOYSA-N -1 3 288.174 3.338 20 0 CGADHM CCc1noc([N-]Cc2ccc(CSC(F)F)o2)n1 ZINC000292309358 198239163 /nfs/dbraw/zinc/23/91/63/198239163.db2.gz AVWWASBPFDTXLU-UHFFFAOYSA-N -1 3 289.307 3.293 20 0 CGADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1cccc(Cl)c1F ZINC000155576554 188214523 /nfs/dbraw/zinc/21/45/23/188214523.db2.gz FFRDQZNANGCMFL-SNVBAGLBSA-N -1 3 288.706 3.059 20 0 CGADHM O=C([N-]O[C@@H]1CCCCO1)Nc1cccc(Cl)c1F ZINC000155576554 188214524 /nfs/dbraw/zinc/21/45/24/188214524.db2.gz FFRDQZNANGCMFL-SNVBAGLBSA-N -1 3 288.706 3.059 20 0 CGADHM O=C([N-]OCC1CC1)Nc1cccc2c1CCCC2 ZINC000292478262 198302581 /nfs/dbraw/zinc/30/25/81/198302581.db2.gz BLGNYSDYVCGLCD-UHFFFAOYSA-N -1 3 260.337 3.029 20 0 CGADHM CC(C)CO[N-]C(=O)Nc1ccc(F)c(Cl)c1 ZINC000158193593 188362971 /nfs/dbraw/zinc/36/29/71/188362971.db2.gz FVRIJPMTSIQLCI-UHFFFAOYSA-N -1 3 260.696 3.188 20 0 CGADHM CC/C=C/C[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000451771723 535244993 /nfs/dbraw/zinc/24/49/93/535244993.db2.gz TVPWULHSNLKKIY-ONEGZZNKSA-N -1 3 299.339 3.011 20 0 CGADHM O=C(Nc1ccc([O-])cc1F)c1ccnc(C2CC2)c1 ZINC000336389268 213245196 /nfs/dbraw/zinc/24/51/96/213245196.db2.gz DUQOFUVYQZFPCR-UHFFFAOYSA-N -1 3 272.279 3.056 20 0 CGADHM O=C(Nc1ccc([O-])cc1F)c1ccnc2ccccc21 ZINC000119294595 370662297 /nfs/dbraw/zinc/66/22/97/370662297.db2.gz DLEARRDPBXREIQ-UHFFFAOYSA-N -1 3 282.274 3.332 20 0 CGADHM [O-]C(=NOC1CCCC1)Nc1cc(Cl)ccc1F ZINC000271776886 191320869 /nfs/dbraw/zinc/32/08/69/191320869.db2.gz GWBMWUWDZAKMQJ-UHFFFAOYSA-N -1 3 272.707 3.475 20 0 CGADHM O=C([N-]OC1CCCC1)Nc1cc(Cl)ccc1F ZINC000271776886 191320872 /nfs/dbraw/zinc/32/08/72/191320872.db2.gz GWBMWUWDZAKMQJ-UHFFFAOYSA-N -1 3 272.707 3.475 20 0 CGADHM CSc1ccc(NC([O-])=NOC2CCCC2)cc1 ZINC000271783750 191325242 /nfs/dbraw/zinc/32/52/42/191325242.db2.gz IMSNFXYCEAMRPO-UHFFFAOYSA-N -1 3 266.366 3.404 20 0 CGADHM CSc1ccc(NC(=O)[N-]OC2CCCC2)cc1 ZINC000271783750 191325244 /nfs/dbraw/zinc/32/52/44/191325244.db2.gz IMSNFXYCEAMRPO-UHFFFAOYSA-N -1 3 266.366 3.404 20 0 CGADHM Cc1ncsc1CN[C@@H](CCC(=O)[O-])c1ccccc1 ZINC000417602905 235639427 /nfs/dbraw/zinc/63/94/27/235639427.db2.gz POGZXDOMMLBSPP-ZDUSSCGKSA-N -1 3 290.388 3.147 20 0 CGADHM Cc1ccc(NC(=O)c2cccc3cc[nH]c32)c([O-])c1 ZINC000088731827 138342585 /nfs/dbraw/zinc/34/25/85/138342585.db2.gz FEHKKZJSMFSUJN-UHFFFAOYSA-N -1 3 266.300 3.434 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2Cc3ccccc3C2)c1 ZINC000106289264 138354219 /nfs/dbraw/zinc/35/42/19/138354219.db2.gz OKWLUTLKHQAZDJ-UHFFFAOYSA-N -1 3 267.328 3.111 20 0 CGADHM Cc1ccoc1C(=O)[N-]c1nc(Cc2ccccc2)ns1 ZINC000107200425 138357417 /nfs/dbraw/zinc/35/74/17/138357417.db2.gz ABAHPFDNWMUZLG-UHFFFAOYSA-N -1 3 299.355 3.283 20 0 CGADHM O=C(CCc1ccc(F)cc1F)Nc1ccc([O-])cc1F ZINC000124349177 138374642 /nfs/dbraw/zinc/37/46/42/138374642.db2.gz XPZYZVHSUTVBFQ-UHFFFAOYSA-N -1 3 295.260 3.381 20 0 CGADHM COc1c(F)ccc(F)c1C(=O)Nc1ccc(C)cc1[O-] ZINC000124091243 138372982 /nfs/dbraw/zinc/37/29/82/138372982.db2.gz YXJPGWWLQBDUQJ-UHFFFAOYSA-N -1 3 293.269 3.240 20 0 CGADHM Cc1ccc(NC(=O)c2cc3c([nH]2)CCCC3)c([O-])c1 ZINC000294380312 199018636 /nfs/dbraw/zinc/01/86/36/199018636.db2.gz NYGHRBJBWBKFTO-UHFFFAOYSA-N -1 3 270.332 3.160 20 0 CGADHM Cc1ccsc1CNCc1cccc(C(=O)[O-])c1 ZINC000235808938 138513784 /nfs/dbraw/zinc/51/37/84/138513784.db2.gz RECMWVVBRJXAQA-UHFFFAOYSA-N -1 3 261.346 3.045 20 0 CGADHM CSCCCN(C)Cc1cccc([O-])c1Cl ZINC000294500626 199063788 /nfs/dbraw/zinc/06/37/88/199063788.db2.gz BNCYSGRECZTFTO-UHFFFAOYSA-N -1 3 259.802 3.231 20 0 CGADHM O=C(NC[C@@H]1C[C@H]1C1CCC1)c1cc([O-])ccc1Cl ZINC000424911322 236202486 /nfs/dbraw/zinc/20/24/86/236202486.db2.gz WVWLPBWMAMSXDZ-JQWIXIFHSA-N -1 3 279.767 3.212 20 0 CGADHM Cc1nc2ccccc2c(N2C[C@H](C)C[C@@H](C(=O)[O-])C2)c1C ZINC000263100652 138567642 /nfs/dbraw/zinc/56/76/42/138567642.db2.gz CUWBRVOEVVYQBY-BXUZGUMPSA-N -1 3 298.386 3.399 20 0 CGADHM O=C([O-])[C@H](NC/C=C/c1ccc(F)cc1)c1ccccc1 ZINC000426787958 236314964 /nfs/dbraw/zinc/31/49/64/236314964.db2.gz JDMLARVSWFILDD-DWTRPJMMSA-N -1 3 285.318 3.254 20 0 CGADHM Cc1ccc(F)c([N-]C(=O)c2noc(-c3ccccc3)n2)c1 ZINC000433230092 236787978 /nfs/dbraw/zinc/78/79/78/236787978.db2.gz GCIDAPCXHFITGR-UHFFFAOYSA-N -1 3 297.289 3.436 20 0 CGADHM Cc1ccc(C(=O)NCc2cnc3ccccc3c2)c([O-])c1 ZINC000436542632 237124563 /nfs/dbraw/zinc/12/45/63/237124563.db2.gz AKLMINCBECBJGE-UHFFFAOYSA-N -1 3 292.338 3.179 20 0 CGADHM Cc1ccc(C(=O)N2CCC[C@H](C)[C@H]2C)c([O-])c1C ZINC000436592585 237142329 /nfs/dbraw/zinc/14/23/29/237142329.db2.gz WQUUNERCZSGVPR-WCQYABFASA-N -1 3 261.365 3.270 20 0 CGADHM CCn1nc(C(C)C)cc1C(=O)Nc1cc(F)ccc1[O-] ZINC000436798644 237181466 /nfs/dbraw/zinc/18/14/66/237181466.db2.gz VAHCJDSFVCJIHN-UHFFFAOYSA-N -1 3 291.326 3.123 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CC[C@]3(CC[C@H](C)C3)C2)c1 ZINC000436705236 237162959 /nfs/dbraw/zinc/16/29/59/237162959.db2.gz OMCUFSOEGNCJAT-GUYCJALGSA-N -1 3 273.376 3.353 20 0 CGADHM CSc1cccc(NC(=O)c2ccc(C)cc2[O-])n1 ZINC000436736211 237171948 /nfs/dbraw/zinc/17/19/48/237171948.db2.gz NSOKKJMUBAJKRF-UHFFFAOYSA-N -1 3 274.345 3.070 20 0 CGADHM COc1cccc([C@H](C)NC(=O)c2ccc([O-])c(C)c2)c1 ZINC000436921724 237207048 /nfs/dbraw/zinc/20/70/48/237207048.db2.gz KXRLXFNXICYJJX-LBPRGKRZSA-N -1 3 285.343 3.200 20 0 CGADHM O=C(N[C@@H]1C[C@H]1C1CCCCC1)c1ccccc1[O-] ZINC000436930377 237211564 /nfs/dbraw/zinc/21/15/64/237211564.db2.gz HDFVITYALFOZNS-UONOGXRCSA-N -1 3 259.349 3.091 20 0 CGADHM Cc1ccc([O-])c(-c2nc(CCc3ccco3)no2)c1 ZINC000436949520 237215521 /nfs/dbraw/zinc/21/55/21/237215521.db2.gz KTTISANPLAHNDE-UHFFFAOYSA-N -1 3 270.288 3.129 20 0 CGADHM O=C(N[C@@H]1C[C@H]1c1ccc(Cl)cc1)c1ccccc1[O-] ZINC000437369100 237281369 /nfs/dbraw/zinc/28/13/69/237281369.db2.gz DDQWMPXMVHHVEL-UONOGXRCSA-N -1 3 287.746 3.332 20 0 CGADHM CSc1ccc(CCNC(=O)c2cccc([O-])c2)cc1 ZINC000437514621 237293580 /nfs/dbraw/zinc/29/35/80/237293580.db2.gz CSTVRQYDUWNTGV-UHFFFAOYSA-N -1 3 287.384 3.087 20 0 CGADHM CC(C)O[N-]C(=O)CC[C@@H](O)c1ccc(C(C)(C)C)cc1 ZINC000297136157 200094676 /nfs/dbraw/zinc/09/46/76/200094676.db2.gz HXUXKPBITVWVAV-OAHLLOKOSA-N -1 3 293.407 3.254 20 0 CGADHM CSCc1ccccc1NC(=O)[N-]OCC1CC1 ZINC000297226508 200119555 /nfs/dbraw/zinc/11/95/55/200119555.db2.gz PWPGZCARKVWYIO-UHFFFAOYSA-N -1 3 266.366 3.013 20 0 CGADHM CC[C@@H](C)CON=C([O-])Nc1ccc(C2CCC2)cn1 ZINC000297243690 200124273 /nfs/dbraw/zinc/12/42/73/200124273.db2.gz XIBNYOZDHXQEGA-LLVKDONJSA-N -1 3 277.368 3.448 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)Nc1ccc(C2CCC2)cn1 ZINC000297243690 200124275 /nfs/dbraw/zinc/12/42/75/200124275.db2.gz XIBNYOZDHXQEGA-LLVKDONJSA-N -1 3 277.368 3.448 20 0 CGADHM CSc1nc2ccc(NC([O-])=NOC(C)C)cc2s1 ZINC000297349189 200158292 /nfs/dbraw/zinc/15/82/92/200158292.db2.gz DAPAENXHGGWIEV-UHFFFAOYSA-N -1 3 297.405 3.480 20 0 CGADHM CSc1nc2ccc(NC(=O)[N-]OC(C)C)cc2s1 ZINC000297349189 200158294 /nfs/dbraw/zinc/15/82/94/200158294.db2.gz DAPAENXHGGWIEV-UHFFFAOYSA-N -1 3 297.405 3.480 20 0 CGADHM CCCOCC(=O)[N-]c1onc(C2CCCCC2)c1C ZINC000297677134 200258686 /nfs/dbraw/zinc/25/86/86/200258686.db2.gz GRBCFPOAZKLCKP-UHFFFAOYSA-N -1 3 280.368 3.396 20 0 CGADHM CCCc1cc(C(=O)[N-]c2sccc2C(C)=O)no1 ZINC000297822216 200287158 /nfs/dbraw/zinc/28/71/58/200287158.db2.gz LGVPLWXHZQVPTI-UHFFFAOYSA-N -1 3 278.333 3.144 20 0 CGADHM [O-]c1ccc(F)c(CN2CCc3cc(F)ccc3C2)c1F ZINC000438835619 238209681 /nfs/dbraw/zinc/20/96/81/238209681.db2.gz WVFLGLVOQZECJN-UHFFFAOYSA-N -1 3 293.288 3.368 20 0 CGADHM CCC(CC)[C@H]1C[C@H](NC(=O)c2ccccc2[O-])CCO1 ZINC000180818079 189277207 /nfs/dbraw/zinc/27/72/07/189277207.db2.gz UWMISTLZFLJRPP-CZUORRHYSA-N -1 3 291.391 3.106 20 0 CGADHM C[C@@H]([N-]C(=O)C(C)(Cl)Cl)c1ccc(F)cc1F ZINC000182439954 189323858 /nfs/dbraw/zinc/32/38/58/189323858.db2.gz KRZWVEFDOWKDBW-ZCFIWIBFSA-N -1 3 282.117 3.336 20 0 CGADHM CCC[C@H]1C[C@@H](C(=O)Nc2ccc(C)cc2[O-])CCO1 ZINC000183400204 189358088 /nfs/dbraw/zinc/35/80/88/189358088.db2.gz KHUAEEVEVNYFPV-STQMWFEESA-N -1 3 277.364 3.234 20 0 CGADHM Cc1csc(S(=O)(=O)[N-][C@@H](C)c2cccs2)c1 ZINC000450982322 240180506 /nfs/dbraw/zinc/18/05/06/240180506.db2.gz BTNORJPHSFDCDG-VIFPVBQESA-N -1 3 287.431 3.158 20 0 CGADHM C[C@@H]([N-]S(=O)(=O)c1ccc2ccccc2c1F)C1CC1 ZINC000451012314 240190249 /nfs/dbraw/zinc/19/02/49/240190249.db2.gz ZXMHVNZUBRHROJ-SNVBAGLBSA-N -1 3 293.363 3.056 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)N1CCCC2(CCCC2)C1 ZINC000451006164 240190893 /nfs/dbraw/zinc/19/08/93/240190893.db2.gz UHQJVSUQAONZDL-UHFFFAOYSA-N -1 3 291.366 3.257 20 0 CGADHM CC1CCC(C)(CNC(=O)Cc2ccc([O-])c(F)c2)CC1 ZINC000451349589 240280216 /nfs/dbraw/zinc/28/02/16/240280216.db2.gz YWBXCWCXMODLJK-UHFFFAOYSA-N -1 3 293.382 3.406 20 0 CGADHM CCC1([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000451711829 240347805 /nfs/dbraw/zinc/34/78/05/240347805.db2.gz QCEARFHUKFNOQI-UHFFFAOYSA-N -1 3 294.203 3.214 20 0 CGADHM O=C(Nc1ccccc1[O-])c1cc(-c2ccccc2)on1 ZINC000120949850 370816548 /nfs/dbraw/zinc/81/65/48/370816548.db2.gz YDPCFFZZOUSVAN-UHFFFAOYSA-N -1 3 280.283 3.300 20 0 CGADHM C[C@@H]1CC[C@@H](N(C)Cc2nc(=O)c3sccc3[n-]2)C1 ZINC000275768058 193124093 /nfs/dbraw/zinc/12/40/93/193124093.db2.gz YPTPXOBGUZTQJH-NXEZZACHSA-N -1 3 277.393 3.017 20 0 CGADHM CC(C)(C)C1CC(NC(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000455023602 241168397 /nfs/dbraw/zinc/16/83/97/241168397.db2.gz YCBCCNCCHVNSBG-UHFFFAOYSA-N -1 3 294.370 3.155 20 0 CGADHM CCCCN(C)Cc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000459287033 242053061 /nfs/dbraw/zinc/05/30/61/242053061.db2.gz DMHSVYXCPZFNKO-UHFFFAOYSA-N -1 3 271.364 3.081 20 0 CGADHM O=c1cc(CN2CCCc3ccccc32)nc(C2CC2)[n-]1 ZINC000459313940 242068579 /nfs/dbraw/zinc/06/85/79/242068579.db2.gz PTRRNQCUAKEFDZ-UHFFFAOYSA-N -1 3 281.359 3.012 20 0 CGADHM C[C@@H]1C[C@H](C)CN1Cc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000459349530 242084894 /nfs/dbraw/zinc/08/48/94/242084894.db2.gz XOGPZUIBBSIBNV-QWHCGFSZSA-N -1 3 283.375 3.080 20 0 CGADHM CCc1ccc([C@@H](C)NCc2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC000459469887 242120167 /nfs/dbraw/zinc/12/01/67/242120167.db2.gz MYHYZNHHOANQNE-GFCCVEGCSA-N -1 3 297.402 3.473 20 0 CGADHM CC[C@@H]1CCN1Cc1cccc([O-])c1Br ZINC000459554983 242129643 /nfs/dbraw/zinc/12/96/43/242129643.db2.gz GNWYUMRSJUWQOQ-SNVBAGLBSA-N -1 3 270.170 3.139 20 0 CGADHM CCC1(c2ccccc2)CN(Cc2nc(C)ccc2[O-])C1 ZINC000459743612 242206020 /nfs/dbraw/zinc/20/60/20/242206020.db2.gz FXUOUYOADFZUMI-UHFFFAOYSA-N -1 3 282.387 3.259 20 0 CGADHM Cc1cc(S(=O)(=O)[N-]c2ccccc2)cc(C)c1F ZINC000460442315 242268605 /nfs/dbraw/zinc/26/86/05/242268605.db2.gz DLJFLVRVFZUILL-UHFFFAOYSA-N -1 3 279.336 3.243 20 0 CGADHM CC(C)COc1cccc(CN2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000003750096 368520209 /nfs/dbraw/zinc/52/02/09/368520209.db2.gz ANCNLRLZNWBTJN-OAHLLOKOSA-N -1 3 291.391 3.018 20 0 CGADHM CCCC[C@@H](CCC)[N-]S(=O)(=O)c1cccs1 ZINC000484785580 243321556 /nfs/dbraw/zinc/32/15/56/243321556.db2.gz TUJNUDRCAZWQAL-LLVKDONJSA-N -1 3 275.439 3.385 20 0 CGADHM O=C(Nc1cc(Cl)ccc1O)c1ccccc1[O-] ZINC000011639175 368593318 /nfs/dbraw/zinc/59/33/18/368593318.db2.gz DHARHZPJWBSJCZ-UHFFFAOYSA-N -1 3 263.680 3.004 20 0 CGADHM Cc1ccc([N-]S(=O)(=O)c2ccc3ncccc3c2)cc1 ZINC000015921969 368704504 /nfs/dbraw/zinc/70/45/04/368704504.db2.gz GCSGRZMKCKXAJU-UHFFFAOYSA-N -1 3 298.367 3.344 20 0 CGADHM O=C([N-]c1cc(F)ccc1F)c1ccc(Cl)o1 ZINC000025011838 368839133 /nfs/dbraw/zinc/83/91/33/368839133.db2.gz ZPFXXTCHCCPHGA-UHFFFAOYSA-N -1 3 257.623 3.464 20 0 CGADHM Cc1ccsc1CNC(=O)c1cc(C)ccc1[O-] ZINC000025677683 368850970 /nfs/dbraw/zinc/85/09/70/368850970.db2.gz RMXYOAZRVGWGJQ-UHFFFAOYSA-N -1 3 261.346 3.001 20 0 CGADHM C[C@@H](NCCC(=O)[O-])c1cc(F)c(Cl)cc1Cl ZINC000034981133 368985131 /nfs/dbraw/zinc/98/51/31/368985131.db2.gz RSGKPWCYRQDXMF-ZCFIWIBFSA-N -1 3 280.126 3.258 20 0 CGADHM O=C(/C=C\c1ccc(Cl)nc1)[N-]OC1CCCCC1 ZINC000492661811 244003565 /nfs/dbraw/zinc/00/35/65/244003565.db2.gz IQIJDCKOBPZUOT-CLFYSBASSA-N -1 3 280.755 3.129 20 0 CGADHM Cc1ccc(NC(=O)c2ccc(C(F)(F)F)nc2)c([O-])c1 ZINC000040429949 369154597 /nfs/dbraw/zinc/15/45/97/369154597.db2.gz DNQAFFIZFXQLFI-UHFFFAOYSA-N -1 3 296.248 3.367 20 0 CGADHM C[C@H](C1CCCCC1)N(C)C(=O)/C=C\c1cncc([O-])c1 ZINC000492854687 244038311 /nfs/dbraw/zinc/03/83/11/244038311.db2.gz FESFTOJHMCHZGW-LJTDUEICSA-N -1 3 288.391 3.228 20 0 CGADHM Cc1ccc([C@H](C)NC(=O)c2ccccc2[O-])cc1 ZINC000042353664 369215787 /nfs/dbraw/zinc/21/57/87/369215787.db2.gz XJDHYGQEOZPTPG-LBPRGKRZSA-N -1 3 255.317 3.192 20 0 CGADHM Cc1ccc(C(=O)Nc2ccc(-c3cc[nH]n3)cc2)c([O-])c1 ZINC000042364212 369216890 /nfs/dbraw/zinc/21/68/90/369216890.db2.gz LJBPNJOAUSIVFZ-UHFFFAOYSA-N -1 3 293.326 3.343 20 0 CGADHM CCOc1ccc(/C=C/C(=O)[N-]OC2CCC2)cc1C ZINC000493399112 244156705 /nfs/dbraw/zinc/15/67/05/244156705.db2.gz JBHCODQUFMTHIL-CSKARUKUSA-N -1 3 275.348 3.007 20 0 CGADHM O=C(/C=C\c1cccc(F)c1)Nc1ccc([O-])cc1F ZINC000493448789 244164527 /nfs/dbraw/zinc/16/45/27/244164527.db2.gz GVVFMVYLTJRXDZ-DAXSKMNVSA-N -1 3 275.254 3.322 20 0 CGADHM COc1ccc([O-])c(C(=O)N[C@H](C)c2cc(C)oc2C)c1 ZINC000044731504 369268985 /nfs/dbraw/zinc/26/89/85/369268985.db2.gz KEEIUQUQWUYBOV-SNVBAGLBSA-N -1 3 289.331 3.102 20 0 CGADHM CO[C@H](C(=O)Nc1ccc(C)cc1[O-])c1ccccc1 ZINC000048193468 369337655 /nfs/dbraw/zinc/33/76/55/369337655.db2.gz OPIIAEXPFBUMBR-HNNXBMFYSA-N -1 3 271.316 3.027 20 0 CGADHM O=C(NCc1ccc(F)c(Cl)c1)c1cccc([O-])c1 ZINC000053158927 369479520 /nfs/dbraw/zinc/47/95/20/369479520.db2.gz FIICODSUVNUCDU-UHFFFAOYSA-N -1 3 279.698 3.115 20 0 CGADHM CCCCN(CCCC)C(=O)c1ccc([O-])c(OC)c1 ZINC000276153640 193227552 /nfs/dbraw/zinc/22/75/52/193227552.db2.gz FNFVHZMOPOWXRI-UHFFFAOYSA-N -1 3 279.380 3.443 20 0 CGADHM Cc1ccc(NC(=O)C2(c3ccccc3)CC2)c([O-])c1 ZINC000059436826 369580618 /nfs/dbraw/zinc/58/06/18/369580618.db2.gz HIQPTQYXAVISOA-UHFFFAOYSA-N -1 3 267.328 3.371 20 0 CGADHM CCS[C@H](C(=O)Nc1ccccc1[O-])C(C)C ZINC000067105981 369711883 /nfs/dbraw/zinc/71/18/83/369711883.db2.gz RGPZTRAZLGYYAI-LBPRGKRZSA-N -1 3 253.367 3.108 20 0 CGADHM CCCC[C@H](C)C(=O)Nc1ccc(C(=O)OCC)cc1[O-] ZINC000503511704 244687393 /nfs/dbraw/zinc/68/73/93/244687393.db2.gz FWSUEWHHTSMDSS-NSHDSACASA-N -1 3 293.363 3.334 20 0 CGADHM CCc1ccc(C(=O)N(C)[C@H](C)CCSC)c([O-])c1 ZINC000276566096 193382806 /nfs/dbraw/zinc/38/28/06/193382806.db2.gz SKEJKURLJXCVMV-LLVKDONJSA-N -1 3 281.421 3.168 20 0 CGADHM CC(C)c1cc(C(=O)N[C@H]2CCOC2)c([O-])c(C(C)C)c1 ZINC000506185436 244785070 /nfs/dbraw/zinc/78/50/70/244785070.db2.gz AOTNFUYOLNVWJT-ZDUSSCGKSA-N -1 3 291.391 3.158 20 0 CGADHM Cc1ccc(F)c(S(=O)(=O)[N-][C@@H]2CC23CCCCC3)c1 ZINC000537741252 376199582 /nfs/dbraw/zinc/19/95/82/376199582.db2.gz RCVMWSJRORZDRC-CQSZACIVSA-N -1 3 297.395 3.135 20 0 CGADHM CC(=O)c1cccc(NC(=O)c2ccc(F)cc2F)c1[O-] ZINC000336512414 213390851 /nfs/dbraw/zinc/39/08/51/213390851.db2.gz CHVICNXMXQHFFF-UHFFFAOYSA-N -1 3 291.253 3.125 20 0 CGADHM Cc1cccc2c(=O)c(C(=O)N3CCC[C@@H](C)C3)c[n-]c12 ZINC000107103455 370353831 /nfs/dbraw/zinc/35/38/31/370353831.db2.gz PPWPDYBWDYWONP-LLVKDONJSA-N -1 3 284.359 3.121 20 0 CGADHM Cc1nc(CO[N-]C(=O)CCCc2ccccc2)cs1 ZINC000112335307 370420834 /nfs/dbraw/zinc/42/08/34/370420834.db2.gz RVLOWMOVDUVOLY-UHFFFAOYSA-N -1 3 290.388 3.022 20 0 CGADHM Cc1cc([N-]S(=O)(=O)c2cccc(Cl)c2C)ccn1 ZINC000112496030 370429216 /nfs/dbraw/zinc/42/92/16/370429216.db2.gz PQGANURECKVGEQ-UHFFFAOYSA-N -1 3 296.779 3.153 20 0 CGADHM Cc1ccc([O-])c(CNCc2ccc(Cl)s2)n1 ZINC000112716481 370445959 /nfs/dbraw/zinc/44/59/59/370445959.db2.gz ARBBBCHHYZYCKO-UHFFFAOYSA-N -1 3 268.769 3.100 20 0 CGADHM Cc1cc(C)cc(-c2cc(=NC(=O)[C@@H]3CC=CCC3)[nH][n-]2)c1 ZINC000512555757 245041368 /nfs/dbraw/zinc/04/13/68/245041368.db2.gz SJBJAMLISZNRFA-CQSZACIVSA-N -1 3 295.386 3.410 20 0 CGADHM Cc1nc(CO[N-]C(=O)CCC2CCCCC2)cs1 ZINC000114451910 370500899 /nfs/dbraw/zinc/50/08/99/370500899.db2.gz HFARETUODBRMGV-UHFFFAOYSA-N -1 3 282.409 3.360 20 0 CGADHM Cc1cccc(C(=O)N(C)[C@H]2CCc3ccccc3C2)c1[O-] ZINC000114279166 370496013 /nfs/dbraw/zinc/49/60/13/370496013.db2.gz ABQUNYGGAIHKQW-INIZCTEOSA-N -1 3 295.382 3.330 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)CCOCC(C)C)c1[O-] ZINC000116980585 370576594 /nfs/dbraw/zinc/57/65/94/370576594.db2.gz QLZUXVCMCOSWIB-UHFFFAOYSA-N -1 3 285.771 3.355 20 0 CGADHM COc1ccccc1CN(Cc1nc(C)ccc1[O-])C1CC1 ZINC000130163639 371015651 /nfs/dbraw/zinc/01/56/51/371015651.db2.gz FYYGZCGMWOVIBA-UHFFFAOYSA-N -1 3 298.386 3.269 20 0 CGADHM Cc1ccc(-c2nc([C@@H]3CCO[C@@H](C)C3)no2)c([O-])c1C ZINC000331636861 204033785 /nfs/dbraw/zinc/03/37/85/204033785.db2.gz IVIXVXXQKSKGJT-CMPLNLGQSA-N -1 3 288.347 3.342 20 0 CGADHM Cc1ccc(C(=O)NCc2ccc([O-])c(F)c2)cc1Cl ZINC000132738411 371197752 /nfs/dbraw/zinc/19/77/52/371197752.db2.gz FFKJLAPQVOHFDT-UHFFFAOYSA-N -1 3 293.725 3.423 20 0 CGADHM CC(C)c1ccc(C(=O)N[C@H]2CCCc3c[nH]nc32)c([O-])c1 ZINC000331769187 204141829 /nfs/dbraw/zinc/14/18/29/204141829.db2.gz CTCLUAIEZSRAIF-AWEZNQCLSA-N -1 3 299.374 3.046 20 0 CGADHM CC(C)(C)c1ccc(NC(=O)C[C@@](C)(O)C2CC2)c([O-])c1 ZINC000331815368 204195039 /nfs/dbraw/zinc/19/50/39/204195039.db2.gz NIQVMZJZRRYIDA-QGZVFWFLSA-N -1 3 291.391 3.179 20 0 CGADHM COc1ccc([O-])c(C(=O)N2CCC[C@H]2CC(C)C)c1 ZINC000133223347 371237372 /nfs/dbraw/zinc/23/73/72/371237372.db2.gz YSULVBBYWOUHRK-LBPRGKRZSA-N -1 3 277.364 3.052 20 0 CGADHM CCc1cc(C(=O)[N-]c2nc(SC)ns2)oc1CC ZINC000134726942 371361410 /nfs/dbraw/zinc/36/14/10/371361410.db2.gz MEFJPKWLTSDAIX-UHFFFAOYSA-N -1 3 297.405 3.230 20 0 CGADHM CC[C@@H]1CCCN(C(=O)Cc2ccc([O-])cc2Cl)C1 ZINC000136157260 371462793 /nfs/dbraw/zinc/46/27/93/371462793.db2.gz CFORAIZWRSTLGP-LLVKDONJSA-N -1 3 281.783 3.237 20 0 CGADHM COc1cccc(C(=O)N2c3ccccc3CC[C@H]2C)c1[O-] ZINC000020260117 541854961 /nfs/dbraw/zinc/85/49/61/541854961.db2.gz YVALTJMXSAEJAW-GFCCVEGCSA-N -1 3 297.354 3.382 20 0 CGADHM Cc1ccc2[n-]cc(C(=O)N(C)CCC3CC3)c(=O)c2c1 ZINC000287416313 371653103 /nfs/dbraw/zinc/65/31/03/371653103.db2.gz TVTTZQGHLJHHHS-UHFFFAOYSA-N -1 3 284.359 3.121 20 0 CGADHM CS[C@H]1CCCCN(C(=O)c2ccc(C)cc2[O-])C1 ZINC000154322164 371837127 /nfs/dbraw/zinc/83/71/27/371837127.db2.gz GDIHMUANQHZTCC-LBPRGKRZSA-N -1 3 279.405 3.058 20 0 CGADHM [O-]c1cc(F)cc(CN2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c1 ZINC000291002456 372091580 /nfs/dbraw/zinc/09/15/80/372091580.db2.gz WCNBMPSTSDNFSB-JKSUJKDBSA-N -1 3 291.366 3.065 20 0 CGADHM Cc1cccc(NC(=O)[N-]OCC2CC2)c1Cl ZINC000292888596 372238607 /nfs/dbraw/zinc/23/86/07/372238607.db2.gz YNPGQWVQBRKNPD-UHFFFAOYSA-N -1 3 254.717 3.112 20 0 CGADHM CCC[C@@]1(NCc2cccc([O-])c2Cl)CCOC1 ZINC000293069921 372293173 /nfs/dbraw/zinc/29/31/73/372293173.db2.gz VIJPLVVBUNTXQM-CQSZACIVSA-N -1 3 269.772 3.094 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)Nc1cccc2[nH]ccc21 ZINC000292976927 372267084 /nfs/dbraw/zinc/26/70/84/372267084.db2.gz QPILVBQJAKRPCO-SNVBAGLBSA-N -1 3 261.325 3.267 20 0 CGADHM CCC[C@H]([N-]c1nnc(C(F)F)o1)[C@H](O)c1ccccc1 ZINC000293293599 372348360 /nfs/dbraw/zinc/34/83/60/372348360.db2.gz YMVVHBOIDHDIKT-WDEREUQCSA-N -1 3 297.305 3.321 20 0 CGADHM [O-]C(=NOCC1CC1)Nc1ccc(F)cc1OCC1CC1 ZINC000293389218 372371539 /nfs/dbraw/zinc/37/15/39/372371539.db2.gz QGVYBISLTABELC-UHFFFAOYSA-N -1 3 294.326 3.078 20 0 CGADHM O=C([N-]OCC1CC1)Nc1ccc(F)cc1OCC1CC1 ZINC000293389218 372371548 /nfs/dbraw/zinc/37/15/48/372371548.db2.gz QGVYBISLTABELC-UHFFFAOYSA-N -1 3 294.326 3.078 20 0 CGADHM [O-]c1cccc(CNCC2(CCO)CCCCC2)c1Cl ZINC000293438713 372384009 /nfs/dbraw/zinc/38/40/09/372384009.db2.gz BSOONJWVOZXJLB-UHFFFAOYSA-N -1 3 297.826 3.468 20 0 CGADHM Cc1ncc(CNCc2ccc(Cl)c(Cl)c2)c(=O)[n-]1 ZINC000344340018 217159258 /nfs/dbraw/zinc/15/92/58/217159258.db2.gz ZNCBZQPROBYZMH-UHFFFAOYSA-N -1 3 298.173 3.087 20 0 CGADHM O=C(c1cc([O-])ccc1Cl)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000312077656 296184325 /nfs/dbraw/zinc/18/43/25/296184325.db2.gz KHKPNAOSWKHVJP-PHIMTYICSA-N -1 3 279.767 3.308 20 0 CGADHM CCO[C@@H]1C[C@@H]1c1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000293368887 372365566 /nfs/dbraw/zinc/36/55/66/372365566.db2.gz HKHHIMUDACJLBN-DZGCQCFKSA-N -1 3 296.326 3.488 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2ccccc2-c2ccnn2C)n1 ZINC000431173023 372441250 /nfs/dbraw/zinc/44/12/50/372441250.db2.gz NIITWVSBDMHWMR-BQYQJAHWSA-N -1 3 292.342 3.062 20 0 CGADHM C[C@@H](CNCc1c(F)ccc([O-])c1F)c1nccs1 ZINC000293667469 372443050 /nfs/dbraw/zinc/44/30/50/372443050.db2.gz QEMVXBXDRYNHPY-QMMMGPOBSA-N -1 3 284.331 3.020 20 0 CGADHM c1nc([N-]c2ncnc3n[nH]cc32)sc1-c1ccccc1 ZINC000163240826 372455288 /nfs/dbraw/zinc/45/52/88/372455288.db2.gz MCWIKUTXYJTVEM-UHFFFAOYSA-N -1 3 294.343 3.220 20 0 CGADHM CC[C@H]1CC[C@H]([N-]S(=O)(=O)c2ccccc2F)CC1 ZINC000431612690 372489601 /nfs/dbraw/zinc/48/96/01/372489601.db2.gz YZMILXLKQRBEAA-HAQNSBGRSA-N -1 3 285.384 3.073 20 0 CGADHM CC[C@@H](C)N(CC(=O)[O-])Cc1cc(Cl)ccc1F ZINC000165664280 372556158 /nfs/dbraw/zinc/55/61/58/372556158.db2.gz AYKPBOMMTRPXHG-SECBINFHSA-N -1 3 273.735 3.164 20 0 CGADHM CCN(C(=O)CCc1ccc2ccccc2c1[O-])C1CC1 ZINC000294313757 372646797 /nfs/dbraw/zinc/64/67/97/372646797.db2.gz GJEYEZPUCISXQD-UHFFFAOYSA-N -1 3 283.371 3.489 20 0 CGADHM Cc1ccccc1CCN(C)C(=O)c1cccc(C)c1[O-] ZINC000295368058 372752003 /nfs/dbraw/zinc/75/20/03/372752003.db2.gz HVIBMKWVVRLOAE-UHFFFAOYSA-N -1 3 283.371 3.324 20 0 CGADHM CC[C@@H]1C[C@H]1[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000435621199 372787672 /nfs/dbraw/zinc/78/76/72/372787672.db2.gz JQUGCZUHQKIOPC-GMSGAONNSA-N -1 3 294.203 3.070 20 0 CGADHM C[C@H]1C[C@H](C)N(C(=O)c2cc3c(cc2[O-])CCCC3)C1 ZINC000436564881 372835881 /nfs/dbraw/zinc/83/58/81/372835881.db2.gz PVSCWVXHDSDXHL-RYUDHWBXSA-N -1 3 273.376 3.142 20 0 CGADHM Cc1ccc([O-])c(C(=O)N[C@@H](C)c2ccsc2)c1 ZINC000061367943 541884511 /nfs/dbraw/zinc/88/45/11/541884511.db2.gz FNOFRLQSGRASAW-JTQLQIEISA-N -1 3 261.346 3.253 20 0 CGADHM Cc1c(Br)ccc([O-])c1NC(=O)CC(C)C ZINC000296165168 373041190 /nfs/dbraw/zinc/04/11/90/373041190.db2.gz SVFINPABYDCWJJ-UHFFFAOYSA-N -1 3 286.169 3.448 20 0 CGADHM CC[C@@H](NC(=O)c1ccc([O-])c(OC)c1)c1ccccc1 ZINC000442866708 373109587 /nfs/dbraw/zinc/10/95/87/373109587.db2.gz MERXEEHFXXVHEX-CQSZACIVSA-N -1 3 285.343 3.282 20 0 CGADHM CCCCOC(=O)c1ccc(NC([O-])=NOC(C)C)cc1 ZINC000296490073 373152812 /nfs/dbraw/zinc/15/28/12/373152812.db2.gz BDWWCDOFUFIUNQ-UHFFFAOYSA-N -1 3 294.351 3.105 20 0 CGADHM CCCCOC(=O)c1ccc(NC(=O)[N-]OC(C)C)cc1 ZINC000296490073 373152819 /nfs/dbraw/zinc/15/28/19/373152819.db2.gz BDWWCDOFUFIUNQ-UHFFFAOYSA-N -1 3 294.351 3.105 20 0 CGADHM Cc1cccc(C(=O)N2CCCC[C@@H]2c2cccn2C)c1[O-] ZINC000173549492 373155272 /nfs/dbraw/zinc/15/52/72/373155272.db2.gz VDKDJHHECCACIC-MRXNPFEDSA-N -1 3 298.386 3.407 20 0 CGADHM COCC1(CNCc2c(F)ccc([O-])c2F)CCCCC1 ZINC000353560046 220158456 /nfs/dbraw/zinc/15/84/56/220158456.db2.gz HGXLWWZRLLQSGS-UHFFFAOYSA-N -1 3 299.361 3.357 20 0 CGADHM CC(C)ON=C([O-])Nc1ccc(Cl)cc1Cl ZINC000296414210 373124240 /nfs/dbraw/zinc/12/42/40/373124240.db2.gz VJEMHOWVOCBCGG-UHFFFAOYSA-N -1 3 263.124 3.455 20 0 CGADHM CC(C)O[N-]C(=O)Nc1ccc(Cl)cc1Cl ZINC000296414210 373124250 /nfs/dbraw/zinc/12/42/50/373124250.db2.gz VJEMHOWVOCBCGG-UHFFFAOYSA-N -1 3 263.124 3.455 20 0 CGADHM CSCCc1ccc(NC([O-])=NOC(C)C)cc1 ZINC000296434928 373133219 /nfs/dbraw/zinc/13/32/19/373133219.db2.gz JCHRMODHRJTTLG-UHFFFAOYSA-N -1 3 268.382 3.054 20 0 CGADHM CSCCc1ccc(NC(=O)[N-]OC(C)C)cc1 ZINC000296434928 373133226 /nfs/dbraw/zinc/13/32/26/373133226.db2.gz JCHRMODHRJTTLG-UHFFFAOYSA-N -1 3 268.382 3.054 20 0 CGADHM Cc1cccc(C(=O)NCCc2ccc3[nH]ccc3c2)c1[O-] ZINC000443004722 373139707 /nfs/dbraw/zinc/13/97/07/373139707.db2.gz YPUUPSUFFVQISP-UHFFFAOYSA-N -1 3 294.354 3.154 20 0 CGADHM CCc1cc(=O)[n-]c(CN(C)[C@H]2CCCC[C@H]2CC)n1 ZINC000444663441 373224332 /nfs/dbraw/zinc/22/43/32/373224332.db2.gz OSOWAJIEBKRQFN-OCCSQVGLSA-N -1 3 277.412 3.145 20 0 CGADHM CC[C@H](C)CN(CC)C(=O)NCc1ccc([O-])c(F)c1 ZINC000174912551 373379181 /nfs/dbraw/zinc/37/91/81/373379181.db2.gz MNMXSJTUOFTVFA-NSHDSACASA-N -1 3 282.359 3.109 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N(C)Cc2ccc(F)c(C)c2)n1 ZINC000447881802 373514897 /nfs/dbraw/zinc/51/48/97/373514897.db2.gz MUHXCYMDBHDYAN-LBPRGKRZSA-N -1 3 289.354 3.131 20 0 CGADHM CC[C@H](C)c1cc(C(=O)[N-]c2cc(C)ns2)on1 ZINC000176430286 373594627 /nfs/dbraw/zinc/59/46/27/373594627.db2.gz BHAPVGOEWQZWLY-ZETCQYMHSA-N -1 3 265.338 3.205 20 0 CGADHM Cc1nc(C(=O)Nc2ccc(C)cc2[O-])c(C)s1 ZINC000178796837 373810431 /nfs/dbraw/zinc/81/04/31/373810431.db2.gz RKTWSVSXXARGNF-UHFFFAOYSA-N -1 3 262.334 3.026 20 0 CGADHM Cc1ccc(O[C@H](C)C(=O)Nc2c(C)cccc2[O-])cc1 ZINC000179544966 373885523 /nfs/dbraw/zinc/88/55/23/373885523.db2.gz QFAXPNBMGCFMOX-CYBMUJFWSA-N -1 3 285.343 3.415 20 0 CGADHM Cc1cccc([O-])c1NC(=O)c1cc(F)cc(F)c1 ZINC000179549217 373885645 /nfs/dbraw/zinc/88/56/45/373885645.db2.gz XORSGJSNMRKXRY-UHFFFAOYSA-N -1 3 263.243 3.231 20 0 CGADHM Cc1ccc(F)c(C(=O)Nc2c(C)cccc2[O-])c1 ZINC000179552740 373886490 /nfs/dbraw/zinc/88/64/90/373886490.db2.gz BXXNAIFIBZNEKC-UHFFFAOYSA-N -1 3 259.280 3.400 20 0 CGADHM CCC[C@@H](C)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000179857956 373928143 /nfs/dbraw/zinc/92/81/43/373928143.db2.gz PEZVPCXHRSOIPT-TZMCWYRMSA-N -1 3 261.365 3.433 20 0 CGADHM Cc1cccc(C(=O)N[C@@H]2CCc3cc(F)ccc32)c1[O-] ZINC000303031157 374009514 /nfs/dbraw/zinc/00/95/14/374009514.db2.gz UELXPKCOWITEHX-OAHLLOKOSA-N -1 3 285.318 3.257 20 0 CGADHM Cc1ccc2oc(C(=O)Nc3ccc([O-])cc3F)cc2n1 ZINC000180852447 374052642 /nfs/dbraw/zinc/05/26/42/374052642.db2.gz FBYBKIOUOSRZEZ-UHFFFAOYSA-N -1 3 286.262 3.233 20 0 CGADHM Cc1csc(C2(NCCCCC(=O)[O-])CCCC2)n1 ZINC000181586962 374143614 /nfs/dbraw/zinc/14/36/14/374143614.db2.gz LCEYISGVBJNFSU-UHFFFAOYSA-N -1 3 282.409 3.065 20 0 CGADHM O=C(N[C@@H]1CCc2c1cccc2Cl)c1cccc([O-])c1 ZINC000182216219 374238374 /nfs/dbraw/zinc/23/83/74/374238374.db2.gz XFCJNPFXHFNXHO-OAHLLOKOSA-N -1 3 287.746 3.463 20 0 CGADHM Cc1nc(C(C)(C)NC(=O)c2cccc([O-])c2)sc1C ZINC000182476970 374278824 /nfs/dbraw/zinc/27/88/24/374278824.db2.gz GGARBQXGQXRZFX-UHFFFAOYSA-N -1 3 290.388 3.131 20 0 CGADHM Cc1ccc(NC(=O)Cc2ccc([O-])cc2Cl)c(C)n1 ZINC000182591101 374293629 /nfs/dbraw/zinc/29/36/29/374293629.db2.gz HAZXITCYPQVUPH-UHFFFAOYSA-N -1 3 290.750 3.239 20 0 CGADHM C[C@H](NC[C@H]1CCCC[C@H]1C)c1ncc(C(=O)[O-])s1 ZINC000315360321 374328791 /nfs/dbraw/zinc/32/87/91/374328791.db2.gz QPGKMNSUXJDSJO-OUAUKWLOSA-N -1 3 282.409 3.318 20 0 CGADHM Cc1cccc([O-])c1NC(=O)c1ccnc(OC2CCC2)c1 ZINC000183069465 374367026 /nfs/dbraw/zinc/36/70/26/374367026.db2.gz QLWJDONRMNPBNU-UHFFFAOYSA-N -1 3 298.342 3.279 20 0 CGADHM O=C(c1cc([O-])c2ccccc2c1)N1CCCCC1 ZINC000082319766 541928449 /nfs/dbraw/zinc/92/84/49/541928449.db2.gz PQGVUQPZVWPVSY-UHFFFAOYSA-N -1 3 255.317 3.172 20 0 CGADHM CCCc1csc(NC(=O)c2cccc([O-])c2)n1 ZINC000182968387 374350420 /nfs/dbraw/zinc/35/04/20/374350420.db2.gz ZTRCHVKBTVGZTQ-UHFFFAOYSA-N -1 3 262.334 3.054 20 0 CGADHM O=C(CCc1ccc(F)cc1)Nc1ccc([O-])cc1F ZINC000183262586 374392585 /nfs/dbraw/zinc/39/25/85/374392585.db2.gz ZJEUCSBTYCJWLW-UHFFFAOYSA-N -1 3 277.270 3.242 20 0 CGADHM O=C(CCc1cccc(F)c1F)Nc1ccc([O-])cc1F ZINC000183253028 374393222 /nfs/dbraw/zinc/39/32/22/374393222.db2.gz HZGDJVRMUQRMPY-UHFFFAOYSA-N -1 3 295.260 3.381 20 0 CGADHM Cc1ccccc1CN1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000087612511 541944988 /nfs/dbraw/zinc/94/49/88/541944988.db2.gz IQMQWNJMLYSMEC-KRWDZBQOSA-N -1 3 281.355 3.179 20 0 CGADHM CC(C)[C@H]1OCC[C@H]1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000331212971 374513792 /nfs/dbraw/zinc/51/37/92/374513792.db2.gz KSQFTNJRVAJFME-ZWNOBZJWSA-N -1 3 283.755 3.045 20 0 CGADHM Cc1oc2ccccc2c1CNC(=O)c1ccc(O)cc1[O-] ZINC000184188532 374502413 /nfs/dbraw/zinc/50/24/13/374502413.db2.gz XQAUFJZSMVOFJL-UHFFFAOYSA-N -1 3 297.310 3.082 20 0 CGADHM CSc1cccc(C)c1[N-]C(=O)c1ncoc1C ZINC000184617536 374544639 /nfs/dbraw/zinc/54/46/39/374544639.db2.gz MZVHNSRTUBTNRJ-UHFFFAOYSA-N -1 3 262.334 3.266 20 0 CGADHM COc1cc(C)cc(-c2nc(Cc3ccccc3)no2)c1[O-] ZINC000184837772 374564049 /nfs/dbraw/zinc/56/40/49/374564049.db2.gz UNNPMDRZKBLXDX-UHFFFAOYSA-N -1 3 296.326 3.350 20 0 CGADHM FC1(F)CC[C@@H](CSc2n[n-]c(-c3ccccn3)n2)C1 ZINC000332180708 374558690 /nfs/dbraw/zinc/55/86/90/374558690.db2.gz NOYMKNQKXXPFSX-SECBINFHSA-N -1 3 296.346 3.394 20 0 CGADHM C[C@H](c1ccc(C(=O)[O-])o1)N(C)CCc1cccs1 ZINC000093268877 541981294 /nfs/dbraw/zinc/98/12/94/541981294.db2.gz HRDPIYFYZXKIIC-SNVBAGLBSA-N -1 3 279.361 3.275 20 0 CGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)[C@@H](C)CC(C)C ZINC000185547368 374684499 /nfs/dbraw/zinc/68/44/99/374684499.db2.gz PKOURHZHKOBNGO-JTQLQIEISA-N -1 3 296.367 3.034 20 0 CGADHM CCC[C@@H](NC(=O)c1cccc([O-])c1)C1CCCC1 ZINC000458336864 374771949 /nfs/dbraw/zinc/77/19/49/374771949.db2.gz KOIYSWLMLQGFBO-OAHLLOKOSA-N -1 3 261.365 3.481 20 0 CGADHM Cc1nscc1C(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000186309784 374830311 /nfs/dbraw/zinc/83/03/11/374830311.db2.gz VQDDLCBJQXWOET-VIFPVBQESA-N -1 3 288.372 3.311 20 0 CGADHM O=C([O-])[C@H](NCc1ccccc1C1CC1)c1ccccc1 ZINC000094519635 541987257 /nfs/dbraw/zinc/98/72/57/541987257.db2.gz NDDAKEMRQLYYKR-QGZVFWFLSA-N -1 3 281.355 3.480 20 0 CGADHM Cc1ccc2c(c1)nc(CNCc1cc([O-])cc(F)c1)n2C ZINC000186424922 374848316 /nfs/dbraw/zinc/84/83/16/374848316.db2.gz IRCQQRIDZGQYCS-UHFFFAOYSA-N -1 3 299.349 3.016 20 0 CGADHM C[C@@H](c1cccc(Cl)c1)N(C)C(=O)c1csc(=O)[n-]1 ZINC000334622243 374913917 /nfs/dbraw/zinc/91/39/17/374913917.db2.gz WKGIBAWMLNCVNU-QMMMGPOBSA-N -1 3 296.779 3.335 20 0 CGADHM C[C@@H]1CCN(C(=O)c2cccc3nn[n-]c32)c2ccccc21 ZINC000187232337 374990168 /nfs/dbraw/zinc/99/01/68/374990168.db2.gz FAYYOHDWDKODJJ-LLVKDONJSA-N -1 3 292.342 3.112 20 0 CGADHM C[C@@H]1CCN(C(=O)c2cccc3[n-]nnc32)c2ccccc21 ZINC000187232337 374990172 /nfs/dbraw/zinc/99/01/72/374990172.db2.gz FAYYOHDWDKODJJ-LLVKDONJSA-N -1 3 292.342 3.112 20 0 CGADHM C[C@@H]1CCN(C(=O)c2cccc3n[n-]nc32)c2ccccc21 ZINC000187232337 374990178 /nfs/dbraw/zinc/99/01/78/374990178.db2.gz FAYYOHDWDKODJJ-LLVKDONJSA-N -1 3 292.342 3.112 20 0 CGADHM CC(C)(C)NC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000187579870 375046254 /nfs/dbraw/zinc/04/62/54/375046254.db2.gz XNZUDILUSXSMHI-UHFFFAOYSA-N -1 3 297.354 3.152 20 0 CGADHM CCc1ccc([C@@H](C)CC(=O)NCc2ncccc2[O-])cc1 ZINC000473625098 375055290 /nfs/dbraw/zinc/05/52/90/375055290.db2.gz BVDZILKNXJMKTN-ZDUSSCGKSA-N -1 3 298.386 3.160 20 0 CGADHM Cc1cccc([C@@H](C)NC(=O)c2cccc3nn[n-]c32)c1C ZINC000188026198 375142419 /nfs/dbraw/zinc/14/24/19/375142419.db2.gz ZQFYBYJNIBTXOQ-GFCCVEGCSA-N -1 3 294.358 3.066 20 0 CGADHM Cc1cccc([C@@H](C)NC(=O)c2cccc3[n-]nnc32)c1C ZINC000188026198 375142424 /nfs/dbraw/zinc/14/24/24/375142424.db2.gz ZQFYBYJNIBTXOQ-GFCCVEGCSA-N -1 3 294.358 3.066 20 0 CGADHM Cc1cccc([C@@H](C)NC(=O)c2cccc3n[n-]nc32)c1C ZINC000188026198 375142430 /nfs/dbraw/zinc/14/24/30/375142430.db2.gz ZQFYBYJNIBTXOQ-GFCCVEGCSA-N -1 3 294.358 3.066 20 0 CGADHM CCc1ccc(C(=O)N2C[C@H](C)CC[C@H]2C)c([O-])c1 ZINC000188127311 375162812 /nfs/dbraw/zinc/16/28/12/375162812.db2.gz IKGMMOUFRYWSAI-VXGBXAGGSA-N -1 3 261.365 3.215 20 0 CGADHM CCc1cc(C(=O)NCc2cscc2C)ccc1[O-] ZINC000487520302 375246602 /nfs/dbraw/zinc/24/66/02/375246602.db2.gz ZNXUIXCFGSIYIH-UHFFFAOYSA-N -1 3 275.373 3.255 20 0 CGADHM CCc1cc(C(=O)N2C[C@H](C)C[C@H](C)[C@@H]2C)ccc1[O-] ZINC000487306469 375225055 /nfs/dbraw/zinc/22/50/55/375225055.db2.gz FFOBYJYUEIWKIT-AGIUHOORSA-N -1 3 275.392 3.461 20 0 CGADHM CCc1ccc(C(=O)N(C)[C@H](C)c2ccco2)c([O-])c1 ZINC000189363611 375376005 /nfs/dbraw/zinc/37/60/05/375376005.db2.gz WQKHWDPXFHAYDV-LLVKDONJSA-N -1 3 273.332 3.381 20 0 CGADHM Cc1nscc1C(=O)[N-]c1c(F)cc(F)cc1F ZINC000335897110 375521482 /nfs/dbraw/zinc/52/14/82/375521482.db2.gz LTNFIZFQMHKFMW-UHFFFAOYSA-N -1 3 272.251 3.121 20 0 CGADHM Cc1noc(C)c1[N-]C(=O)c1c(F)cccc1Cl ZINC000335905498 375529439 /nfs/dbraw/zinc/52/94/39/375529439.db2.gz LPZUPCWJQQQMKU-UHFFFAOYSA-N -1 3 268.675 3.336 20 0 CGADHM CCCC[C@@H](C)C(=O)Nc1n[n-]c(-c2ccccc2F)n1 ZINC000507029950 375669993 /nfs/dbraw/zinc/66/99/93/375669993.db2.gz MAJUGROFKPSCFK-SNVBAGLBSA-N -1 3 290.342 3.376 20 0 CGADHM Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccoc2)c1 ZINC000336132935 375711550 /nfs/dbraw/zinc/71/15/50/375711550.db2.gz NFTPEZDOSDBMPG-UHFFFAOYSA-N -1 3 271.725 3.042 20 0 CGADHM Cc1cc(C(=O)Nc2ncccc2C(C)C)ccc1[O-] ZINC000336157832 375735591 /nfs/dbraw/zinc/73/55/91/375735591.db2.gz SVLNYIMGPAWKBY-UHFFFAOYSA-N -1 3 270.332 3.471 20 0 CGADHM C[C@@H]1COCC[C@@H]1C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000336161953 375737614 /nfs/dbraw/zinc/73/76/14/375737614.db2.gz UOJBFXFUPOAGQY-YPMHNXCESA-N -1 3 291.391 3.301 20 0 CGADHM C[C@H]1C[C@@H]1c1ccc(CN(CC2(C(=O)[O-])CC2)C2CC2)o1 ZINC000518546298 375829549 /nfs/dbraw/zinc/82/95/49/375829549.db2.gz DOTFEDSUQKPDOD-FZMZJTMJSA-N -1 3 289.375 3.232 20 0 CGADHM Cc1noc(C)c1[N-]C(=O)c1cccc(Cl)c1F ZINC000336608840 375871412 /nfs/dbraw/zinc/87/14/12/375871412.db2.gz YONVKFCOCCNNCA-UHFFFAOYSA-N -1 3 268.675 3.336 20 0 CGADHM COC(=O)c1cnc(SCc2cc(C)sc2C)[n-]1 ZINC000193539736 375892903 /nfs/dbraw/zinc/89/29/03/375892903.db2.gz OUKDUBUZUYVUTF-UHFFFAOYSA-N -1 3 282.390 3.167 20 0 CGADHM O=C([O-])CCCCNCc1ccc(Cl)cc1Cl ZINC000336698658 375909773 /nfs/dbraw/zinc/90/97/73/375909773.db2.gz JDWZDQJPCXGMFG-UHFFFAOYSA-N -1 3 276.163 3.338 20 0 CGADHM Cc1cccc([C@@H]2CCCN2C(=O)c2ccc(O)cc2[O-])c1 ZINC000193765753 375920381 /nfs/dbraw/zinc/92/03/81/375920381.db2.gz FHMWRORSBQGANU-INIZCTEOSA-N -1 3 297.354 3.384 20 0 CGADHM CC(C)N(CC1CCC1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000193772364 375920968 /nfs/dbraw/zinc/92/09/68/375920968.db2.gz GBTCFUPERBSJNZ-UHFFFAOYSA-N -1 3 294.370 3.251 20 0 CGADHM [O-]c1cc(F)cc(CNc2ccc(Cn3cccn3)cc2)c1 ZINC000336859049 376015001 /nfs/dbraw/zinc/01/50/01/376015001.db2.gz DSDZNQWGTMXNHR-UHFFFAOYSA-N -1 3 297.333 3.388 20 0 CGADHM C[C@H]1CCC[C@H]1CNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000534450666 375986906 /nfs/dbraw/zinc/98/69/06/375986906.db2.gz DWLGNCLUYHZDSN-JSGCOSHPSA-N -1 3 293.382 3.406 20 0 CGADHM CCn1nccc1C(=O)Nc1cc(C(C)(C)C)ccc1[O-] ZINC000131879384 542073449 /nfs/dbraw/zinc/07/34/49/542073449.db2.gz PEVOCISJFMYOGA-UHFFFAOYSA-N -1 3 287.363 3.158 20 0 CGADHM CCC[C@@H]1SCCN1C(=O)c1cccc(CC)c1[O-] ZINC000537640773 376188834 /nfs/dbraw/zinc/18/88/34/376188834.db2.gz JLKPMVVKYAHIRQ-ZDUSSCGKSA-N -1 3 279.405 3.270 20 0 CGADHM Cc1ccc([O-])c(C(=O)NC2(c3ccccc3F)CC2)c1 ZINC000536705613 376125427 /nfs/dbraw/zinc/12/54/27/376125427.db2.gz LNOPFUCWCVFLBI-UHFFFAOYSA-N -1 3 285.318 3.259 20 0 CGADHM C[C@@H](CC(=O)Nc1cc(F)ccc1[O-])c1ccncc1 ZINC000132526872 542076519 /nfs/dbraw/zinc/07/65/19/542076519.db2.gz UVKCBUGIONBHTJ-JTQLQIEISA-N -1 3 274.295 3.059 20 0 CGADHM CCc1cccc(C(=O)N(C)Cc2ccc(F)cc2)c1[O-] ZINC000539850430 376342176 /nfs/dbraw/zinc/34/21/76/376342176.db2.gz LIIZUCFEETVYJF-UHFFFAOYSA-N -1 3 287.334 3.366 20 0 CGADHM COc1cc(NCc2nc(C)ccc2[O-])ccc1Cl ZINC000227964523 376421599 /nfs/dbraw/zinc/42/15/99/376421599.db2.gz GGVGMMQTVGTZPM-UHFFFAOYSA-N -1 3 278.739 3.370 20 0 CGADHM C[C@@H]1CCN(Cc2cccc(Cl)c2F)[C@@H](C(=O)[O-])C1 ZINC000228247243 376432891 /nfs/dbraw/zinc/43/28/91/376432891.db2.gz QLIMHXCNDPPOLQ-BXKDBHETSA-N -1 3 285.746 3.164 20 0 CGADHM COc1cccc(Cl)c1CN[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000228805423 376449381 /nfs/dbraw/zinc/44/93/81/376449381.db2.gz FIJLRRYZLQBICE-MNOVXSKESA-N -1 3 297.782 3.082 20 0 CGADHM CCN(Cc1ccc(C)cc1)C(=O)c1cccc([O-])c1 ZINC000541890490 376491640 /nfs/dbraw/zinc/49/16/40/376491640.db2.gz MLXXYJAQDLYKAK-UHFFFAOYSA-N -1 3 269.344 3.363 20 0 CGADHM CCCC[C@H]1CCC[C@H]1NC(=O)c1cccc2nn[n-]c21 ZINC000542821264 376583675 /nfs/dbraw/zinc/58/36/75/376583675.db2.gz PPDSFHOBRROTEU-WCQYABFASA-N -1 3 286.379 3.047 20 0 CGADHM CCCC[C@H]1CCC[C@H]1NC(=O)c1cccc2[n-]nnc21 ZINC000542821264 376583681 /nfs/dbraw/zinc/58/36/81/376583681.db2.gz PPDSFHOBRROTEU-WCQYABFASA-N -1 3 286.379 3.047 20 0 CGADHM CCCC[C@H]1CCC[C@H]1NC(=O)c1cccc2n[n-]nc21 ZINC000542821264 376583690 /nfs/dbraw/zinc/58/36/90/376583690.db2.gz PPDSFHOBRROTEU-WCQYABFASA-N -1 3 286.379 3.047 20 0 CGADHM [O-]c1cc(F)cc(CN2CCOc3cccc(F)c3C2)c1 ZINC000338968986 376608172 /nfs/dbraw/zinc/60/81/72/376608172.db2.gz UANDNACLANIAIL-UHFFFAOYSA-N -1 3 291.297 3.065 20 0 CGADHM O=C(CCc1nccs1)Nc1ccc(Cl)cc1[O-] ZINC000339006858 376626763 /nfs/dbraw/zinc/62/67/63/376626763.db2.gz FNAUMVUWTIAGQS-UHFFFAOYSA-N -1 3 282.752 3.073 20 0 CGADHM C[C@@H]1CC[C@H](C)N(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000235320260 376636778 /nfs/dbraw/zinc/63/67/78/376636778.db2.gz ZZKUCHINYRYQFV-ZJUUUORDSA-N -1 3 267.756 3.306 20 0 CGADHM Cc1cccnc1NC(=O)c1cc([O-])ccc1Cl ZINC000235788622 376650976 /nfs/dbraw/zinc/65/09/76/376650976.db2.gz GAMUUJLYUAUFRG-UHFFFAOYSA-N -1 3 262.696 3.001 20 0 CGADHM CCn1c(C)cc(C(=O)Nc2ccc(OC)cc2[O-])c1C ZINC000135411974 542087435 /nfs/dbraw/zinc/08/74/35/542087435.db2.gz NNGBMSKVKRDQGE-UHFFFAOYSA-N -1 3 288.347 3.091 20 0 CGADHM O=S(=O)([N-][C@@H]1CCC[C@H]1F)c1csc2ccccc21 ZINC000339118005 376692028 /nfs/dbraw/zinc/69/20/28/376692028.db2.gz CPACBMKAMRIMPL-GHMZBOCLSA-N -1 3 299.392 3.070 20 0 CGADHM COc1ccc(NC(=O)[C@@H](C)c2cccs2)c([O-])c1 ZINC000135404189 542088120 /nfs/dbraw/zinc/08/81/20/542088120.db2.gz QFZNMRDKKHPONA-VIFPVBQESA-N -1 3 277.345 3.205 20 0 CGADHM Cc1ccc(CC(=O)N2CC[C@@H](C)c3cccc([O-])c32)o1 ZINC000545245773 376802781 /nfs/dbraw/zinc/80/27/81/376802781.db2.gz FDYMJSAJYWVGSE-LLVKDONJSA-N -1 3 285.343 3.377 20 0 CGADHM Cc1cc(C)n([C@@H](C)CC(=O)Nc2ccc(C)cc2[O-])n1 ZINC000340033577 376897791 /nfs/dbraw/zinc/89/77/91/376897791.db2.gz KEVGLLRULLCMRN-ZDUSSCGKSA-N -1 3 287.363 3.104 20 0 CGADHM CCO[C@@H](CC(=O)Nc1ccc(C)cc1[O-])C(C)C ZINC000340034119 376897828 /nfs/dbraw/zinc/89/78/28/376897828.db2.gz SEULRLRPJUWVPB-AWEZNQCLSA-N -1 3 265.353 3.090 20 0 CGADHM CC(=O)c1cccc(NC(=O)CC2=CCCCC2)c1[O-] ZINC000556893679 376902341 /nfs/dbraw/zinc/90/23/41/376902341.db2.gz YGVLVJCRGUVTJN-UHFFFAOYSA-N -1 3 273.332 3.424 20 0 CGADHM CC(=O)c1cccc(NC(=O)c2cccc(C)c2C)c1[O-] ZINC000556893659 376902347 /nfs/dbraw/zinc/90/23/47/376902347.db2.gz XXBBBYBOQOJJDX-UHFFFAOYSA-N -1 3 283.327 3.464 20 0 CGADHM C[C@H]1CCC[C@@H]1CNC(=O)Cc1ccc([O-])cc1Cl ZINC000340084989 376912441 /nfs/dbraw/zinc/91/24/41/376912441.db2.gz IXUUHKZZNUYCIS-CMPLNLGQSA-N -1 3 281.783 3.141 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])c1cncc2ccccc21 ZINC000340313636 376997641 /nfs/dbraw/zinc/99/76/41/376997641.db2.gz KLNOGBDKRNNQNN-UHFFFAOYSA-N -1 3 282.274 3.332 20 0 CGADHM CCS[C@@H]1CCCCN(C(=O)c2ccccc2[O-])C1 ZINC000264793283 190135000 /nfs/dbraw/zinc/13/50/00/190135000.db2.gz BAVAQHYIJHDAFR-GFCCVEGCSA-N -1 3 279.405 3.140 20 0 CGADHM CCOc1cc(CN2[C@@H](C)C[C@@H]2C)cc(Cl)c1[O-] ZINC000560610450 377178953 /nfs/dbraw/zinc/17/89/53/377178953.db2.gz IRDZECBVOBUPSM-UWVGGRQHSA-N -1 3 269.772 3.427 20 0 CGADHM O=C([O-])C1(NCc2cc3ccccc3o2)CCCCC1 ZINC000340677573 377208744 /nfs/dbraw/zinc/20/87/44/377208744.db2.gz SKWVLBVQQINQKW-UHFFFAOYSA-N -1 3 273.332 3.310 20 0 CGADHM Cc1ccc(NC(=O)c2cnc(C(C)(C)C)nc2)c([O-])c1 ZINC000562230469 377283649 /nfs/dbraw/zinc/28/36/49/377283649.db2.gz SHZRSRIJOKBWCD-UHFFFAOYSA-N -1 3 285.347 3.040 20 0 CGADHM C[C@@H]1CC[C@@H](NC(=O)c2cc(=O)c3ccccc3[n-]2)[C@@H](C)C1 ZINC000264907096 190143418 /nfs/dbraw/zinc/14/34/18/190143418.db2.gz JCEBEMZKAXOQIM-MBNYWOFBSA-N -1 3 298.386 3.495 20 0 CGADHM CCc1oc(C(=O)[O-])cc1CN1C[C@H](C)C[C@H](C)C1 ZINC000563277149 377430336 /nfs/dbraw/zinc/43/03/36/377430336.db2.gz IPCUACALTCSDFJ-PHIMTYICSA-N -1 3 265.353 3.018 20 0 CGADHM CCCC(=Cc1nc(-c2cc(=O)[n-]cn2)no1)CCC ZINC000563124006 377405456 /nfs/dbraw/zinc/40/54/56/377405456.db2.gz UVUZQXNFBADYNU-UHFFFAOYSA-N -1 3 274.324 3.216 20 0 CGADHM CCc1ccc([O-])c(C(=O)N[C@H](CC)c2ccncc2)c1 ZINC000091735722 249031031 /nfs/dbraw/zinc/03/10/31/249031031.db2.gz FVBHDPMPCKMZOL-OAHLLOKOSA-N -1 3 284.359 3.231 20 0 CGADHM O=C(c1ccccc1[O-])N1CCC[C@H]1c1ccccc1 ZINC000123718592 296262185 /nfs/dbraw/zinc/26/21/85/296262185.db2.gz RAUWNJKCHPMOPH-HNNXBMFYSA-N -1 3 267.328 3.370 20 0 CGADHM CC[C@H]1CC[C@H](C(=O)Nc2nnc(-c3ccccn3)[n-]2)CC1 ZINC000249855461 377538696 /nfs/dbraw/zinc/53/86/96/377538696.db2.gz QBFHHMDJYRQBBA-HAQNSBGRSA-N -1 3 299.378 3.022 20 0 CGADHM CC[C@H]1CC[C@H](C(=O)Nc2nc(-c3ccccn3)n[n-]2)CC1 ZINC000249855461 377538701 /nfs/dbraw/zinc/53/87/01/377538701.db2.gz QBFHHMDJYRQBBA-HAQNSBGRSA-N -1 3 299.378 3.022 20 0 CGADHM CC[C@H]1CC[C@H](C(=O)Nc2n[n-]c(-c3ccccn3)n2)CC1 ZINC000249855461 377538706 /nfs/dbraw/zinc/53/87/06/377538706.db2.gz QBFHHMDJYRQBBA-HAQNSBGRSA-N -1 3 299.378 3.022 20 0 CGADHM C[C@@H](NCc1cc(Cl)sc1Cl)[C@H](C)C(=O)[O-] ZINC000312671267 249081691 /nfs/dbraw/zinc/08/16/91/249081691.db2.gz SXVDQMWZPSBAJN-NTSWFWBYSA-N -1 3 282.192 3.254 20 0 CGADHM CCN(Cc1cccc([O-])c1Br)CC(F)F ZINC000315393465 249099031 /nfs/dbraw/zinc/09/90/31/249099031.db2.gz LJAVWSKERLOMNQ-UHFFFAOYSA-N -1 3 294.139 3.242 20 0 CGADHM CCCCc1nnc([N-]C(=O)c2ncccc2Cl)s1 ZINC000341454229 377571449 /nfs/dbraw/zinc/57/14/49/377571449.db2.gz MBPUDXBASQJMSA-UHFFFAOYSA-N -1 3 296.783 3.181 20 0 CGADHM C[C@H]1CCCC[C@@H]1CC(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000516384082 249232724 /nfs/dbraw/zinc/23/27/24/249232724.db2.gz FFXINXZRFHFEMN-WDEREUQCSA-N -1 3 288.351 3.220 20 0 CGADHM C[C@H]1CCCC[C@@H]1CC(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000516384082 249232726 /nfs/dbraw/zinc/23/27/26/249232726.db2.gz FFXINXZRFHFEMN-WDEREUQCSA-N -1 3 288.351 3.220 20 0 CGADHM C[C@H]1CCCC[C@@H]1CC(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000516384082 249232727 /nfs/dbraw/zinc/23/27/27/249232727.db2.gz FFXINXZRFHFEMN-WDEREUQCSA-N -1 3 288.351 3.220 20 0 CGADHM O=C([N-]c1scnc1C1CC1)c1cc(C2CC2)no1 ZINC000518677816 249284776 /nfs/dbraw/zinc/28/47/76/249284776.db2.gz FRMHWVSJBWLYDW-UHFFFAOYSA-N -1 3 275.333 3.138 20 0 CGADHM CC(C)c1nnc([N-]C(=O)c2cnc(C3CC3)s2)s1 ZINC000519109463 249292255 /nfs/dbraw/zinc/29/22/55/249292255.db2.gz UJLMYOPVAMPOAZ-UHFFFAOYSA-N -1 3 294.405 3.248 20 0 CGADHM C[C@@H]1CCN(Cc2ccc(F)cc2C(=O)[O-])C[C@H]1C ZINC000253074784 377671305 /nfs/dbraw/zinc/67/13/05/377671305.db2.gz PVYICJDVFCXNQU-GHMZBOCLSA-N -1 3 265.328 3.002 20 0 CGADHM CCCCN(CCOC)Cc1cc(C(=O)[O-])sc1C ZINC000574883233 377720900 /nfs/dbraw/zinc/72/09/00/377720900.db2.gz CGLQHHFUGJRHIZ-UHFFFAOYSA-N -1 3 285.409 3.003 20 0 CGADHM O=C([N-]c1nnc(/C=C\c2ccco2)s1)c1ccco1 ZINC000255052876 377726304 /nfs/dbraw/zinc/72/63/04/377726304.db2.gz WHRAORGRJUVZJS-WAYWQWQTSA-N -1 3 287.300 3.147 20 0 CGADHM C[C@@H](N[C@@H](C)c1ncc(-c2ccccc2)o1)[C@@H](C)C(=O)[O-] ZINC000574996211 377736609 /nfs/dbraw/zinc/73/66/09/377736609.db2.gz ZOUCTJKKBGLKLG-UTUOFQBUSA-N -1 3 288.347 3.101 20 0 CGADHM CCC[C@@H](C)S(=O)(=O)[N-]c1ccccc1OCC1CC1 ZINC000575185703 377759187 /nfs/dbraw/zinc/75/91/87/377759187.db2.gz HEJGZTQPQFTWDZ-GFCCVEGCSA-N -1 3 297.420 3.406 20 0 CGADHM CC(C)C[C@H](CNCc1ccc([C@@H]2C[C@H]2C)o1)C(=O)[O-] ZINC000263053295 377916247 /nfs/dbraw/zinc/91/62/47/377916247.db2.gz LFLPFENPZIFNSE-YRGRVCCFSA-N -1 3 279.380 3.240 20 0 CGADHM COc1ccc(CN2CCC[C@H](C(=O)[O-])[C@@H]2C)c(Cl)c1 ZINC000263057168 377916603 /nfs/dbraw/zinc/91/66/03/377916603.db2.gz LWFLGXBDGHSXGE-GWCFXTLKSA-N -1 3 297.782 3.034 20 0 CGADHM C[C@H](c1ccccc1Cl)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000263350756 377927285 /nfs/dbraw/zinc/92/72/85/377927285.db2.gz PRYQXUJXTNINEA-IJLUTSLNSA-N -1 3 281.783 3.444 20 0 CGADHM CCCc1cc(N2CC[C@H](C(=O)[O-])C2)c2ccccc2n1 ZINC000263464553 377939359 /nfs/dbraw/zinc/93/93/59/377939359.db2.gz CJWLECFOOVTYSY-LBPRGKRZSA-N -1 3 284.359 3.098 20 0 CGADHM C[C@H]1c2c(Cl)cc(Cl)cc2CCN1CCC(=O)[O-] ZINC000262928107 377911379 /nfs/dbraw/zinc/91/13/79/377911379.db2.gz ZYGJRKISOINZQR-QMMMGPOBSA-N -1 3 288.174 3.387 20 0 CGADHM CC(C)[C@H]1CN([C@H](C)c2ccc(C(=O)[O-])o2)CCS1 ZINC000578369673 378063939 /nfs/dbraw/zinc/06/39/39/378063939.db2.gz VGGCFWRKSXSYTE-ZWNOBZJWSA-N -1 3 283.393 3.112 20 0 CGADHM Cc1nc2ccccc2c(C)c1C(=O)Nc1ncccc1[O-] ZINC000343853284 378114004 /nfs/dbraw/zinc/11/40/04/378114004.db2.gz OCTGDGPPPXOZBE-UHFFFAOYSA-N -1 3 293.326 3.205 20 0 CGADHM CC[C@H](c1ccccc1)N(CC)C(=O)c1cc(C)nc(=O)[n-]1 ZINC000268846501 378129918 /nfs/dbraw/zinc/12/99/18/378129918.db2.gz NEPFASNWVSSDLW-OAHLLOKOSA-N -1 3 299.374 3.104 20 0 CGADHM CSCCCN(C)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000343913759 378132351 /nfs/dbraw/zinc/13/23/51/378132351.db2.gz GPFALPOQUOPZPW-UHFFFAOYSA-N -1 3 299.411 3.066 20 0 CGADHM CC(C)CCC(=O)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000343788885 378092168 /nfs/dbraw/zinc/09/21/68/378092168.db2.gz LZMCYNSJPMCWET-UHFFFAOYSA-N -1 3 293.317 3.152 20 0 CGADHM COc1cccc2c(C(=O)Nc3cc(C)ccc3F)[n-]nc21 ZINC000345111328 378197623 /nfs/dbraw/zinc/19/76/23/378197623.db2.gz GSAYQBPRWHIXSD-UHFFFAOYSA-N -1 3 299.305 3.271 20 0 CGADHM COc1cccc2c(C(=O)Nc3cc(C)ccc3F)n[n-]c21 ZINC000345111328 378197626 /nfs/dbraw/zinc/19/76/26/378197626.db2.gz GSAYQBPRWHIXSD-UHFFFAOYSA-N -1 3 299.305 3.271 20 0 CGADHM COc1cccc2c(C(=O)Nc3ccc(C)c(F)c3)[n-]nc21 ZINC000345149423 378205283 /nfs/dbraw/zinc/20/52/83/378205283.db2.gz YFNVXUJZVISNIX-UHFFFAOYSA-N -1 3 299.305 3.271 20 0 CGADHM COc1cccc2c(C(=O)Nc3ccc(C)c(F)c3)n[n-]c21 ZINC000345149423 378205285 /nfs/dbraw/zinc/20/52/85/378205285.db2.gz YFNVXUJZVISNIX-UHFFFAOYSA-N -1 3 299.305 3.271 20 0 CGADHM COc1cc(Cl)ccc1C(=O)Nc1nc(C)ccc1[O-] ZINC000345926618 378410652 /nfs/dbraw/zinc/41/06/52/378410652.db2.gz MEVUMRSZHSNZDL-UHFFFAOYSA-N -1 3 292.722 3.010 20 0 CGADHM O=C(CCc1ccc(Cl)s1)[N-]OC1CCCC1 ZINC000271809748 378506358 /nfs/dbraw/zinc/50/63/58/378506358.db2.gz UGZCXHHVAXSVIU-UHFFFAOYSA-N -1 3 273.785 3.325 20 0 CGADHM CC(C)(C)CCC(=O)N1CCCc2cccc([O-])c21 ZINC000272395530 378627166 /nfs/dbraw/zinc/62/71/66/378627166.db2.gz DGCSCZSZHJLYBV-UHFFFAOYSA-N -1 3 261.365 3.498 20 0 CGADHM Cc1cc(C(=O)NCc2nc(C(C)C)cs2)ccc1[O-] ZINC000272644686 378682279 /nfs/dbraw/zinc/68/22/79/378682279.db2.gz MAAKSWCSJZJDPG-UHFFFAOYSA-N -1 3 290.388 3.211 20 0 CGADHM Cc1cc(C(=O)N2CCS[C@@H]3CCCC[C@H]32)ccc1[O-] ZINC000272710890 378691795 /nfs/dbraw/zinc/69/17/95/378691795.db2.gz XUPBNXHXVKCEPH-UKRRQHHQSA-N -1 3 291.416 3.201 20 0 CGADHM O=C(N[C@H]1CCOC2(CCCCC2)C1)c1cccc([O-])c1 ZINC000272793308 378705326 /nfs/dbraw/zinc/70/53/26/378705326.db2.gz XDCJJJFMGIZPIW-AWEZNQCLSA-N -1 3 289.375 3.004 20 0 CGADHM CC(C)OCCCC(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000274427745 378831513 /nfs/dbraw/zinc/83/15/13/378831513.db2.gz ZYMBUXVESAGFGT-CYBMUJFWSA-N -1 3 291.391 3.438 20 0 CGADHM CCOCCCC(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000274394359 378825512 /nfs/dbraw/zinc/82/55/12/378825512.db2.gz QRZVOTLIZKCLGN-LBPRGKRZSA-N -1 3 277.364 3.049 20 0 CGADHM Cc1ccc2oc(=NCc3ccc([O-])c(F)c3)[nH]c2c1 ZINC000348222379 378847478 /nfs/dbraw/zinc/84/74/78/378847478.db2.gz QWUUSFVBKULBJF-UHFFFAOYSA-N -1 3 272.279 3.015 20 0 CGADHM CSc1ccc(C)c(NC([O-])=NO[C@@H]2CCCCO2)c1 ZINC000274902618 378916274 /nfs/dbraw/zinc/91/62/74/378916274.db2.gz TVEWZBCCUNTGIO-CYBMUJFWSA-N -1 3 296.392 3.297 20 0 CGADHM CSc1ccc(C)c(NC(=O)[N-]O[C@@H]2CCCCO2)c1 ZINC000274902618 378916279 /nfs/dbraw/zinc/91/62/79/378916279.db2.gz TVEWZBCCUNTGIO-CYBMUJFWSA-N -1 3 296.392 3.297 20 0 CGADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CC2(C1)CCCCC2 ZINC000274927833 378919842 /nfs/dbraw/zinc/91/98/42/378919842.db2.gz MRQYDXCCBOWTMN-UHFFFAOYSA-N -1 3 296.370 3.347 20 0 CGADHM Cc1ccc([O-])c(CN[C@H](c2cccs2)C2CC2)n1 ZINC000348719027 379034317 /nfs/dbraw/zinc/03/43/17/379034317.db2.gz SHPKILYSHJUVKY-HNNXBMFYSA-N -1 3 274.389 3.398 20 0 CGADHM CC[C@H](C)C[C@H](C)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000266373477 190252514 /nfs/dbraw/zinc/25/25/14/190252514.db2.gz RXPHSCDCQCZQMC-RYUDHWBXSA-N -1 3 286.375 3.495 20 0 CGADHM CCC[C@@H]1CCCCN1C(=O)c1ccc([O-])c(OC)c1 ZINC000277214741 379099352 /nfs/dbraw/zinc/09/93/52/379099352.db2.gz ZNYMJVDDPHQSLZ-CYBMUJFWSA-N -1 3 277.364 3.196 20 0 CGADHM CC[C@@H](NC(=O)c1csc(=O)[n-]1)c1ccc(Cl)cc1 ZINC000348973302 379126282 /nfs/dbraw/zinc/12/62/82/379126282.db2.gz UKPUGVXVNLPGFW-SNVBAGLBSA-N -1 3 296.779 3.383 20 0 CGADHM COc1cccc([C@@H](CC(=O)[O-])NCc2ccsc2)c1 ZINC000277431174 379158201 /nfs/dbraw/zinc/15/82/01/379158201.db2.gz UAWZSBCZRPKFSN-CQSZACIVSA-N -1 3 291.372 3.062 20 0 CGADHM C[C@H]1CCN(C(=O)CC(C)(F)F)c2c([O-])cccc21 ZINC000277444902 379160340 /nfs/dbraw/zinc/16/03/40/379160340.db2.gz XAARUWPPPQGMOA-VIFPVBQESA-N -1 3 269.291 3.278 20 0 CGADHM C[C@@H](C(=O)[O-])[C@H](NCc1ccsc1)c1ccccc1 ZINC000277456659 379164586 /nfs/dbraw/zinc/16/45/86/379164586.db2.gz VHASZNBTWVBPMN-RISCZKNCSA-N -1 3 275.373 3.300 20 0 CGADHM Cc1ccc([O-])c(CN2C[C@@H](C)C[C@H]2c2cccnc2)n1 ZINC000372690442 379200365 /nfs/dbraw/zinc/20/03/65/379200365.db2.gz HOLIYEAIXAVUAA-LRDDRELGSA-N -1 3 283.375 3.074 20 0 CGADHM Cc1ocnc1-c1noc(-c2cc3c(cc2[O-])CCCC3)n1 ZINC000278013912 379280357 /nfs/dbraw/zinc/28/03/57/379280357.db2.gz JIDISFCUMSNALD-UHFFFAOYSA-N -1 3 297.314 3.284 20 0 CGADHM CCc1cnccc1[C@@H](C)NCc1cc([O-])cc(F)c1 ZINC000349663484 379336126 /nfs/dbraw/zinc/33/61/26/379336126.db2.gz DGKFVUUAXKJPAS-LLVKDONJSA-N -1 3 274.339 3.340 20 0 CGADHM C/C=C(\C)c1nc(-c2ccc([O-])c(OCC)c2)no1 ZINC000278134274 379297651 /nfs/dbraw/zinc/29/76/51/379297651.db2.gz SJGQMUOQRBJYIG-RUDMXATFSA-N -1 3 260.293 3.264 20 0 CGADHM CCCN(CC(C)C)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000349707067 379354099 /nfs/dbraw/zinc/35/40/99/379354099.db2.gz MTUGNRAFQNPACR-UHFFFAOYSA-N -1 3 286.375 3.036 20 0 CGADHM CCCCCc1nnc([N-]C(=O)c2cc(C)sn2)s1 ZINC000278354722 379358251 /nfs/dbraw/zinc/35/82/51/379358251.db2.gz WJZQRPMDONNVTM-UHFFFAOYSA-N -1 3 296.421 3.288 20 0 CGADHM CCN1C(=O)c2ccccc2N[C@@H]1c1ccc([O-])cc1F ZINC000639410628 379368234 /nfs/dbraw/zinc/36/82/34/379368234.db2.gz VWOIHMRMTYCHFA-HNNXBMFYSA-N -1 3 286.306 3.118 20 0 CGADHM Cc1ccccc1[C@@]1(F)CCN(C(=O)c2cccc([O-])c2)C1 ZINC000374439567 379441885 /nfs/dbraw/zinc/44/18/85/379441885.db2.gz KLCXCZUMVCFKGJ-GOSISDBHSA-N -1 3 299.345 3.412 20 0 CGADHM Cc1cccc(C(=O)N2CC[C@](F)(c3ccccc3)C2)c1[O-] ZINC000374617231 379468706 /nfs/dbraw/zinc/46/87/06/379468706.db2.gz GDIJZAOOONNKMM-GOSISDBHSA-N -1 3 299.345 3.412 20 0 CGADHM CSCCO[N-]C(=O)CCCc1ccc(Cl)cc1 ZINC000280097265 379604930 /nfs/dbraw/zinc/60/49/30/379604930.db2.gz UGGFAGRZCUBHOW-UHFFFAOYSA-N -1 3 287.812 3.074 20 0 CGADHM Cc1ccc(C(=O)N2CCC(C)=C(C)C2)c([O-])c1C ZINC000280290313 379666401 /nfs/dbraw/zinc/66/64/01/379666401.db2.gz UHWBDXODCASJEM-UHFFFAOYSA-N -1 3 259.349 3.191 20 0 CGADHM COc1nc(C)ccc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000347734150 218338872 /nfs/dbraw/zinc/33/88/72/218338872.db2.gz LPTMJMHAHPRSOD-UHFFFAOYSA-N -1 3 292.722 3.010 20 0 CGADHM CC(C)(C)c1ccc(C(=O)NCc2ncccc2[O-])s1 ZINC000352515382 379841734 /nfs/dbraw/zinc/84/17/34/379841734.db2.gz GPNQMYXKDNOWHB-UHFFFAOYSA-N -1 3 290.388 3.076 20 0 CGADHM C[C@H](CC(F)(F)F)C(=O)Nc1ccc([O-])cc1F ZINC000402477776 379966007 /nfs/dbraw/zinc/96/60/07/379966007.db2.gz DENSOPDSGVIHII-ZCFIWIBFSA-N -1 3 265.206 3.058 20 0 CGADHM [O-]c1cccnc1CNCc1csc2ccccc12 ZINC000347874044 218384535 /nfs/dbraw/zinc/38/45/35/218384535.db2.gz GLUVJPFKHSMGKV-UHFFFAOYSA-N -1 3 270.357 3.292 20 0 CGADHM Cc1cc(NC(=O)[N-]OC[C@H]2CCOC2)cc(C)c1Cl ZINC000283022599 380026085 /nfs/dbraw/zinc/02/60/85/380026085.db2.gz OESLEHMSEKNMQZ-NSHDSACASA-N -1 3 298.770 3.046 20 0 CGADHM Cc1cccc([O-])c1NC(=O)c1ccc(NCC2CC2)nc1 ZINC000283181922 380043498 /nfs/dbraw/zinc/04/34/98/380043498.db2.gz LJXUEPATDCWLEY-UHFFFAOYSA-N -1 3 297.358 3.170 20 0 CGADHM Cc1cccc(O)c1[N-]S(=O)(=O)CCC1CCCC1 ZINC000641684351 380045429 /nfs/dbraw/zinc/04/54/29/380045429.db2.gz GTZMBTDBTFFGMY-UHFFFAOYSA-N -1 3 283.393 3.023 20 0 CGADHM O=C([O-])C[C@@H]1CCCCN1Cc1nsc2ccccc21 ZINC000641793741 380106822 /nfs/dbraw/zinc/10/68/22/380106822.db2.gz FWRYSAZNUGOXRD-NSHDSACASA-N -1 3 290.388 3.126 20 0 CGADHM C[C@@H](NCc1cc([O-])cc(C(F)(F)F)c1)C(F)F ZINC000641794555 380109467 /nfs/dbraw/zinc/10/94/67/380109467.db2.gz VPSOZKFKGWDNRU-ZCFIWIBFSA-N -1 3 269.213 3.154 20 0 CGADHM C[C@@H](O)[C@@H]1C[C@H](C)CCN1Cc1cccc([O-])c1Cl ZINC000353114920 380121597 /nfs/dbraw/zinc/12/15/97/380121597.db2.gz CXJNCHJJNUOQOR-WZRBSPASSA-N -1 3 283.799 3.027 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2cccc(-n3cccn3)c2)c1 ZINC000642518839 380174439 /nfs/dbraw/zinc/17/44/39/380174439.db2.gz GDVHASPOYLJRGQ-UHFFFAOYSA-N -1 3 293.326 3.139 20 0 CGADHM COc1cccc2c1CCCN2Cc1nc(C)ccc1[O-] ZINC000354043410 380296303 /nfs/dbraw/zinc/29/63/03/380296303.db2.gz XSAYJIBGJDZBAB-UHFFFAOYSA-N -1 3 284.359 3.057 20 0 CGADHM CC(C)(CNCc1ccc(F)c(Cl)c1Cl)C(=O)[O-] ZINC000414688995 380374528 /nfs/dbraw/zinc/37/45/28/380374528.db2.gz ZFJWOXLQGLYGPF-UHFFFAOYSA-N -1 3 294.153 3.333 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)[C@H]2CCCSC2)c1[O-] ZINC000354444190 380441409 /nfs/dbraw/zinc/44/14/09/380441409.db2.gz YAJQSFJXKGWNEL-VIFPVBQESA-N -1 3 285.796 3.436 20 0 CGADHM O=C(CC1(C(F)(F)F)CC1)Nc1cc(F)ccc1[O-] ZINC000354472378 380452801 /nfs/dbraw/zinc/45/28/01/380452801.db2.gz BXTLFCPSKGHLOJ-UHFFFAOYSA-N -1 3 277.217 3.202 20 0 CGADHM COc1ncc(C(=O)Nc2c(C)cccc2[O-])cc1Cl ZINC000354559983 380485923 /nfs/dbraw/zinc/48/59/23/380485923.db2.gz KTGINNBZZRHGHF-UHFFFAOYSA-N -1 3 292.722 3.010 20 0 CGADHM O=C(Nc1ncccc1[O-])[C@@H]1CCC[C@H]2CCCC[C@@H]21 ZINC000354612214 380502408 /nfs/dbraw/zinc/50/24/08/380502408.db2.gz KKMXVMYAHJMHDY-FRRDWIJNSA-N -1 3 274.364 3.332 20 0 CGADHM CCOc1cc(C)ccc1NCc1cc(=O)[n-]c(C2CC2)n1 ZINC000417008746 380560570 /nfs/dbraw/zinc/56/05/70/380560570.db2.gz JFKKXQDBWAGLHG-UHFFFAOYSA-N -1 3 299.374 3.379 20 0 CGADHM CCCC(O)(CCC)CNCc1cccc([O-])c1Cl ZINC000645156658 380597477 /nfs/dbraw/zinc/59/74/77/380597477.db2.gz QKPVHMSJSSPUJW-UHFFFAOYSA-N -1 3 285.815 3.467 20 0 CGADHM [O-]c1cccc(CNCCC[C@@H]2CCCC[C@H]2O)c1Cl ZINC000645166310 380599765 /nfs/dbraw/zinc/59/97/65/380599765.db2.gz SVFLFYFSOZJEEO-GXTWGEPZSA-N -1 3 297.826 3.467 20 0 CGADHM [O-]c1cccc(CNC[C@@H](CO)CC2CCCC2)c1Cl ZINC000645178018 380606345 /nfs/dbraw/zinc/60/63/45/380606345.db2.gz GZKBDQBNCNINAW-ZDUSSCGKSA-N -1 3 297.826 3.324 20 0 CGADHM COc1ccc(CN[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)cc1 ZINC000417613098 380649819 /nfs/dbraw/zinc/64/98/19/380649819.db2.gz CLOVXDFFPFPKLR-DLBZAZTESA-N -1 3 297.354 3.098 20 0 CGADHM CCc1cccc(Cl)c1CN[C@H]1C=C[C@@H](C(=O)[O-])C1 ZINC000417612162 380650003 /nfs/dbraw/zinc/65/00/03/380650003.db2.gz BPVSUQHHVXMVSL-NEPJUHHUSA-N -1 3 279.767 3.021 20 0 CGADHM O=C([O-])C[C@@H](CNCc1ccccc1Cl)C(F)(F)F ZINC000417617436 380653672 /nfs/dbraw/zinc/65/36/72/380653672.db2.gz BVWUFHCZDBFNBS-VIFPVBQESA-N -1 3 295.688 3.083 20 0 CGADHM CC(C)=CCSC[C@@H](NCc1ccccc1F)C(=O)[O-] ZINC000417631690 380658448 /nfs/dbraw/zinc/65/84/48/380658448.db2.gz WAKMUIHSVUVTAK-CQSZACIVSA-N -1 3 297.395 3.068 20 0 CGADHM Cc1cc(CN[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)cs1 ZINC000417634235 380659194 /nfs/dbraw/zinc/65/91/94/380659194.db2.gz VFLALHTVZPEPOW-HUUCEWRRSA-N -1 3 287.384 3.459 20 0 CGADHM C[C@@H](CC(C)(C)NCc1cccc(Cl)c1F)C(=O)[O-] ZINC000417640647 380660676 /nfs/dbraw/zinc/66/06/76/380660676.db2.gz ZJKSYGXDVJSCIT-VIFPVBQESA-N -1 3 287.762 3.458 20 0 CGADHM CN(Cc1cc([O-])cc(F)c1)C1CC(OC(C)(C)C)C1 ZINC000421371163 380909055 /nfs/dbraw/zinc/90/90/55/380909055.db2.gz KHHPUOJVXIYGSE-UHFFFAOYSA-N -1 3 281.371 3.309 20 0 CGADHM O=C(NCCCCC1CCCC1)c1cccc([O-])c1 ZINC000357371743 381131592 /nfs/dbraw/zinc/13/15/92/381131592.db2.gz VNFGRMYRAYLVBW-UHFFFAOYSA-N -1 3 261.365 3.483 20 0 CGADHM Cc1cc(C(=O)N[C@@H]2CC[C@H]3CCC[C@@H]3C2)ccc1[O-] ZINC000500641549 291764829 /nfs/dbraw/zinc/76/48/29/291764829.db2.gz JQTFEDXHROODFH-UMVBOHGHSA-N -1 3 273.376 3.399 20 0 CGADHM CCc1cc(C(=O)Nc2ccc3[nH]c(C)nc3c2)ccc1[O-] ZINC000362480692 382012763 /nfs/dbraw/zinc/01/27/63/382012763.db2.gz OEQHTZQKPHFFEJ-UHFFFAOYSA-N -1 3 295.342 3.392 20 0 CGADHM CCc1cc(C(=O)N(C)[C@@H](C)c2ccccn2)ccc1[O-] ZINC000362737033 382112268 /nfs/dbraw/zinc/11/22/68/382112268.db2.gz OEPVTJAKTBTQDA-LBPRGKRZSA-N -1 3 284.359 3.183 20 0 CGADHM O=C(c1ccc(O)cc1[O-])N1CCC(C2CCCC2)CC1 ZINC000363364495 382209100 /nfs/dbraw/zinc/20/91/00/382209100.db2.gz SLSTWWQRTFEQKQ-UHFFFAOYSA-N -1 3 289.375 3.140 20 0 CGADHM Cc1cc(C(=O)N(CC2CC2)CC2CCC2)ccc1[O-] ZINC000279930439 194631771 /nfs/dbraw/zinc/63/17/71/194631771.db2.gz FIRMZCOHYZWGOK-UHFFFAOYSA-N -1 3 273.376 3.353 20 0 CGADHM COc1ccccc1[C@H](C)NC(=O)c1ccc([O-])c(C)c1 ZINC000436936831 533008077 /nfs/dbraw/zinc/00/80/77/533008077.db2.gz ZPHWANDTFRGLRG-LBPRGKRZSA-N -1 3 285.343 3.200 20 0 CGADHM C[C@H]1CSCCN1C(=O)c1cc([O-])c2ccccc2c1 ZINC000280288991 542381192 /nfs/dbraw/zinc/38/11/92/542381192.db2.gz GLGKJWJHJVMNDJ-NSHDSACASA-N -1 3 287.384 3.123 20 0 CGADHM CCOC(=O)CC(C)(C)CC(=O)Nc1ccc(C)cc1[O-] ZINC000289026810 197217059 /nfs/dbraw/zinc/21/70/59/197217059.db2.gz IVIPPEYEOQDLNV-UHFFFAOYSA-N -1 3 293.363 3.009 20 0 CGADHM Cc1ccc([O-])c(C(=O)N(C)C2CCC(F)(F)CC2)c1 ZINC000289044721 197220969 /nfs/dbraw/zinc/22/09/69/197220969.db2.gz QZNLUTYHZARXNT-UHFFFAOYSA-N -1 3 283.318 3.351 20 0 CGADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CC2(CC2)C1 ZINC000334654959 542460005 /nfs/dbraw/zinc/46/00/05/542460005.db2.gz RQSLOYLOIKEKQT-UHFFFAOYSA-N -1 3 293.366 3.219 20 0 CGADHM COc1ccc([C@H]2CCCN2Cc2nc(C)ccc2[O-])cc1 ZINC000155157683 533205767 /nfs/dbraw/zinc/20/57/67/533205767.db2.gz XTEHVVZGONNNNM-QGZVFWFLSA-N -1 3 298.386 3.441 20 0 CGADHM CN(Cc1ccncc1)C(=O)c1cc([O-])c2ccccc2c1 ZINC000349432113 542525009 /nfs/dbraw/zinc/52/50/09/542525009.db2.gz XISYTDCXSHPRJN-UHFFFAOYSA-N -1 3 292.338 3.213 20 0 CGADHM CCc1nn(C)cc1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000355448808 542567173 /nfs/dbraw/zinc/56/71/73/542567173.db2.gz XVHJKVBGNRTXJH-UHFFFAOYSA-N -1 3 295.342 3.094 20 0 CGADHM COc1ccc(C(=O)N[C@@H](C)[C@H](C)c2ccccc2)c([O-])c1 ZINC000436574719 533339023 /nfs/dbraw/zinc/33/90/23/533339023.db2.gz LSXPZDDPHZQEJQ-STQMWFEESA-N -1 3 299.370 3.323 20 0 CGADHM COc1ccc(C(=O)N[C@@H](C)Cc2ccccc2C)c([O-])c1 ZINC000436731011 533339397 /nfs/dbraw/zinc/33/93/97/533339397.db2.gz ZITVGFWQMAZSJI-ZDUSSCGKSA-N -1 3 299.370 3.070 20 0 CGADHM Cc1ccc(C(=O)N[C@H](C)Cc2cccc(O)c2)c([O-])c1C ZINC000436601945 533590180 /nfs/dbraw/zinc/59/01/80/533590180.db2.gz IRTSRDRKHIVMLR-GFCCVEGCSA-N -1 3 299.370 3.076 20 0 CGADHM COc1cc(C)cc(-c2nc(-c3ccc(O)cc3)no2)c1[O-] ZINC000436885270 533615700 /nfs/dbraw/zinc/61/57/00/533615700.db2.gz HCECGVXXZOQPRC-UHFFFAOYSA-N -1 3 298.298 3.132 20 0 CGADHM [O-]c1coc2cc(OCCCCC3CCOCC3)ccc12 ZINC000384941109 542601823 /nfs/dbraw/zinc/60/18/23/542601823.db2.gz ADFPUMQBNOSUOY-UHFFFAOYSA-N -1 3 290.359 3.237 20 0 CGADHM CC(C)c1ccc(C(=O)NCc2ccccc2)c([O-])c1 ZINC000048517689 392001689 /nfs/dbraw/zinc/00/16/89/392001689.db2.gz KQYCWCSEOAMQHM-UHFFFAOYSA-N -1 3 269.344 3.446 20 0 CGADHM COc1ccc(S(=O)(=O)[N-]c2cccc(C)c2)c(C)c1 ZINC000048652166 392007366 /nfs/dbraw/zinc/00/73/66/392007366.db2.gz YOROIJZUEFCMHW-UHFFFAOYSA-N -1 3 291.372 3.113 20 0 CGADHM COc1ccc([O-])c(C(=O)Nc2cc(F)ccc2C)c1 ZINC000051770614 392073412 /nfs/dbraw/zinc/07/34/12/392073412.db2.gz QADOFLYFTSOOOX-UHFFFAOYSA-N -1 3 275.279 3.101 20 0 CGADHM Cc1csc(NC(=O)c2cc3c(cc2[O-])CCCC3)n1 ZINC000049180018 392037137 /nfs/dbraw/zinc/03/71/37/392037137.db2.gz PRMRMGIOIQICMW-UHFFFAOYSA-N -1 3 288.372 3.288 20 0 CGADHM CCC1CCC(N(C)C(=O)c2cc(OC)ccc2[O-])CC1 ZINC000055464151 392098966 /nfs/dbraw/zinc/09/89/66/392098966.db2.gz OHHPXZFJVOGHNU-UHFFFAOYSA-N -1 3 291.391 3.442 20 0 CGADHM COc1cccc(C(=O)NCC[C@@H]2CCC[C@H](C)C2)c1[O-] ZINC000070549591 392183435 /nfs/dbraw/zinc/18/34/35/392183435.db2.gz PGGRPCZFWXWGAU-STQMWFEESA-N -1 3 291.391 3.347 20 0 CGADHM CCc1ccc(-c2nc(-c3cccc(C)n3)no2)c([O-])c1 ZINC000436851220 542658501 /nfs/dbraw/zinc/65/85/01/542658501.db2.gz KVTREHZTCBNWLO-UHFFFAOYSA-N -1 3 281.315 3.375 20 0 CGADHM COc1ccc(NC(=O)Cc2ccc(Cl)cc2)c([O-])c1 ZINC000443558566 542667277 /nfs/dbraw/zinc/66/72/77/542667277.db2.gz KQTUXSWRUGCAGG-UHFFFAOYSA-N -1 3 291.734 3.235 20 0 CGADHM COc1ccc(NC(=O)[C@@H]2C[C@]2(C)C(C)C)c([O-])c1 ZINC000443561303 542666516 /nfs/dbraw/zinc/66/65/16/542666516.db2.gz RCONLBIBAJCPTQ-XHDPSFHLSA-N -1 3 263.337 3.022 20 0 CGADHM COc1ccc(NC(=O)[C@H]2C[C@]2(C)C(C)C)c([O-])c1 ZINC000443561300 542666829 /nfs/dbraw/zinc/66/68/29/542666829.db2.gz RCONLBIBAJCPTQ-IAQYHMDHSA-N -1 3 263.337 3.022 20 0 CGADHM CCOc1cccc(C(=O)Nc2ccc(OC)cc2[O-])c1 ZINC000443558233 542667359 /nfs/dbraw/zinc/66/73/59/542667359.db2.gz LDVUVCKKASYSNL-UHFFFAOYSA-N -1 3 287.315 3.052 20 0 CGADHM Cc1ccc(C(=O)N2CC3(CCC3)C[C@@H]2C)c([O-])c1 ZINC000372914373 392647222 /nfs/dbraw/zinc/64/72/22/392647222.db2.gz PWMMSCQYVIKOMB-LBPRGKRZSA-N -1 3 259.349 3.105 20 0 CGADHM Cc1ccc2nccc(N3CCC(C)(C(=O)[O-])CC3)c2c1 ZINC000647457343 392727124 /nfs/dbraw/zinc/72/71/24/392727124.db2.gz DSYQGSPKXLSGHW-UHFFFAOYSA-N -1 3 284.359 3.234 20 0 CGADHM CCc1cc(=O)[n-]c(CN[C@@H](C)[C@H](C)c2ccccc2)n1 ZINC000181526938 392733950 /nfs/dbraw/zinc/73/39/50/392733950.db2.gz FRHSUJPGBGWMLB-STQMWFEESA-N -1 3 285.391 3.026 20 0 CGADHM CC[C@@H]1C[C@H](C)CN1Cc1c(F)ccc([O-])c1F ZINC000508636520 392737801 /nfs/dbraw/zinc/73/78/01/392737801.db2.gz LHTJQCQYSUUZOU-VHSXEESVSA-N -1 3 255.308 3.291 20 0 CGADHM CC(C)C1(NC(=O)c2cc([O-])c3ccccc3c2)CC1 ZINC000508499617 392738552 /nfs/dbraw/zinc/73/85/52/392738552.db2.gz WQJOLCKZDNVFKN-UHFFFAOYSA-N -1 3 269.344 3.464 20 0 CGADHM Cc1ccccc1CC(C)(C)NC(=O)c1cccc([O-])c1 ZINC000182325098 392744748 /nfs/dbraw/zinc/74/47/48/392744748.db2.gz QYTQPPCXRWYZAN-UHFFFAOYSA-N -1 3 283.371 3.452 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)[C@@H]2CC23CC3)c1[O-] ZINC000335016680 392763685 /nfs/dbraw/zinc/76/36/85/392763685.db2.gz GAXFBGBCLKSSQV-VIFPVBQESA-N -1 3 251.713 3.093 20 0 CGADHM [O-]c1ccc(F)c(CN[C@H]2CCc3ccccc3C2)c1F ZINC000509654754 392764246 /nfs/dbraw/zinc/76/42/46/392764246.db2.gz DLEFIEUNTCHCAM-ZDUSSCGKSA-N -1 3 289.325 3.318 20 0 CGADHM CC[C@H](C)[C@H](C)C(=O)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000505799873 392699438 /nfs/dbraw/zinc/69/94/38/392699438.db2.gz XCCJYVCBNGLNQH-RYUDHWBXSA-N -1 3 271.364 3.119 20 0 CGADHM O=C(CSc1cccc(F)c1)Nc1ccccc1[O-] ZINC000180713576 392712212 /nfs/dbraw/zinc/71/22/12/392712212.db2.gz WTYFSGSQSQJMHX-UHFFFAOYSA-N -1 3 277.320 3.262 20 0 CGADHM C[C@@H]1CCC[C@H](CC(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)C1 ZINC000647796082 392800402 /nfs/dbraw/zinc/80/04/02/392800402.db2.gz HXTAOHFJCISGIA-MNOVXSKESA-N -1 3 287.363 3.423 20 0 CGADHM CCc1ccc(C(=O)N[C@@H](C)c2nc(C)cs2)c([O-])c1 ZINC000190991790 392818905 /nfs/dbraw/zinc/81/89/05/392818905.db2.gz UANQHLAEQLHDFX-JTQLQIEISA-N -1 3 290.388 3.211 20 0 CGADHM Cc1ccc([O-])c(CN2CCc3sc(Cl)cc3C2)n1 ZINC000648049970 392885327 /nfs/dbraw/zinc/88/53/27/392885327.db2.gz APBBLOCKIZBKTK-UHFFFAOYSA-N -1 3 294.807 3.369 20 0 CGADHM Cc1ccc(CN(Cc2nc(C)ccc2[O-])CC2CC2)cn1 ZINC000648057931 392892181 /nfs/dbraw/zinc/89/21/81/392892181.db2.gz ZALOWAOQSSOSMI-UHFFFAOYSA-N -1 3 297.402 3.211 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N2CCCc3ccccc3C2)n1 ZINC000192580845 392853625 /nfs/dbraw/zinc/85/36/25/392853625.db2.gz UUKZWFDYAJQQKG-ZDUSSCGKSA-N -1 3 283.375 3.000 20 0 CGADHM C[C@H]1CCN([C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)C1 ZINC000516479556 392864593 /nfs/dbraw/zinc/86/45/93/392864593.db2.gz OHPRLVUUGXFQBV-UFBFGSQYSA-N -1 3 288.174 3.461 20 0 CGADHM Cc1cccc(C)c1OC[C@H](C)NC(=O)c1ccccc1[O-] ZINC000195645827 392973383 /nfs/dbraw/zinc/97/33/83/392973383.db2.gz MVUXFHSNRXWSPW-AWEZNQCLSA-N -1 3 299.370 3.206 20 0 CGADHM CCc1cccc(-c2nc(Cc3ccc(C)nc3)no2)c1[O-] ZINC000547058886 393089597 /nfs/dbraw/zinc/08/95/97/393089597.db2.gz IGADLBJZOOJCTK-UHFFFAOYSA-N -1 3 295.342 3.299 20 0 CGADHM C[C@@H]1C[C@@H]1c1noc(-c2cc3c(cc2[O-])CCCC3)n1 ZINC000547180674 393096238 /nfs/dbraw/zinc/09/62/38/393096238.db2.gz CGUCJNHLFNFQAA-SKDRFNHKSA-N -1 3 270.332 3.444 20 0 CGADHM CCc1cccc(-c2nc(C3(OC)CCC3)no2)c1[O-] ZINC000547224701 393099056 /nfs/dbraw/zinc/09/90/56/393099056.db2.gz OGHNWXOLJUHEDC-UHFFFAOYSA-N -1 3 274.320 3.030 20 0 CGADHM CCc1cccc(C(=O)N([C@@H](C)C2CC2)C2CC2)c1[O-] ZINC000547412959 393113551 /nfs/dbraw/zinc/11/35/51/393113551.db2.gz JVZTXOBSAKTJCG-NSHDSACASA-N -1 3 273.376 3.358 20 0 CGADHM CCc1cccc(C(=O)N([C@H](C)C2CC2)C2CC2)c1[O-] ZINC000547412958 393114359 /nfs/dbraw/zinc/11/43/59/393114359.db2.gz JVZTXOBSAKTJCG-LLVKDONJSA-N -1 3 273.376 3.358 20 0 CGADHM Cc1ccc(C(=O)N2CCC[C@@H]2c2ccncc2)c([O-])c1C ZINC000271194437 393246469 /nfs/dbraw/zinc/24/64/69/393246469.db2.gz HAAWUEQXXVNLNN-MRXNPFEDSA-N -1 3 296.370 3.381 20 0 CGADHM Cc1ccc(CC(C)(C)NC(=O)c2cccc([O-])c2)cc1 ZINC000416281563 393290847 /nfs/dbraw/zinc/29/08/47/393290847.db2.gz HYWXUDXZYLQTMK-UHFFFAOYSA-N -1 3 283.371 3.452 20 0 CGADHM CCc1cc(C(=O)N2C[C@H](C)[C@H](C)[C@H]2C)ccc1[O-] ZINC000416318565 393298311 /nfs/dbraw/zinc/29/83/11/393298311.db2.gz GCSMXEGCELLVAN-SDDRHHMPSA-N -1 3 261.365 3.071 20 0 CGADHM COc1cc(C(=O)NC2(c3ccccc3C)CC2)ccc1[O-] ZINC000648958903 393298689 /nfs/dbraw/zinc/29/86/89/393298689.db2.gz ATRDBCGEXSGPJA-UHFFFAOYSA-N -1 3 297.354 3.128 20 0 CGADHM O=C(c1cccc([O-])c1)N(Cc1ccco1)CC(F)(F)F ZINC000355393025 393303108 /nfs/dbraw/zinc/30/31/08/393303108.db2.gz WUAFVKKLTOOJIE-UHFFFAOYSA-N -1 3 299.248 3.190 20 0 CGADHM Cc1cc(C(=O)Nc2ccnn2[C@@H](C)C2CC2)ccc1[O-] ZINC000272437279 393261572 /nfs/dbraw/zinc/26/15/72/393261572.db2.gz MEQMVGBHQVSTJJ-NSHDSACASA-N -1 3 285.347 3.120 20 0 CGADHM C[C@@H]1CN(Cc2cc([O-])cc(C(F)(F)F)c2)[C@@H](C)CO1 ZINC000356092682 393356958 /nfs/dbraw/zinc/35/69/58/393356958.db2.gz UOUCNBCVXGOXQC-VHSXEESVSA-N -1 3 289.297 3.020 20 0 CGADHM Cc1nn(-c2ccccc2)c(C)c1[N-]c1nnc(C)c(C)n1 ZINC000356175286 393369115 /nfs/dbraw/zinc/36/91/15/393369115.db2.gz USCOHMMRKFLXDQ-UHFFFAOYSA-N -1 3 294.362 3.035 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)c1ncsc1C(C)C ZINC000649228881 393376320 /nfs/dbraw/zinc/37/63/20/393376320.db2.gz DFPOIDNENAFRQY-UHFFFAOYSA-N -1 3 292.408 3.096 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@@]1(C)C[C@@H]1c1ccccc1 ZINC000649229207 393377973 /nfs/dbraw/zinc/37/79/73/393377973.db2.gz QWRZOWWURVBELH-KDOFPFPSSA-N -1 3 297.402 3.396 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@H]1[C@H](c2ccccc2)[C@@H]1C ZINC000649230060 393377984 /nfs/dbraw/zinc/37/79/84/393377984.db2.gz XSUHVMLIKPGMRN-TUKIKUTGSA-N -1 3 297.402 3.252 20 0 CGADHM CC(C)(CCCNCc1ccccc1Cl)C(=O)[O-] ZINC000426634666 393449551 /nfs/dbraw/zinc/44/95/51/393449551.db2.gz OXAUIFDFOZSFQP-UHFFFAOYSA-N -1 3 269.772 3.321 20 0 CGADHM CC[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000488952234 393564830 /nfs/dbraw/zinc/56/48/30/393564830.db2.gz ZXFRWOJXWOFJKY-RKDXNWHRSA-N -1 3 293.791 3.192 20 0 CGADHM CC[C@H](C)[C@H](C)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000488952233 393565087 /nfs/dbraw/zinc/56/50/87/393565087.db2.gz ZXFRWOJXWOFJKY-IUCAKERBSA-N -1 3 293.791 3.192 20 0 CGADHM COc1ccc(C)cc1CC(=O)Nc1ccc([O-])cc1F ZINC000360845489 393597942 /nfs/dbraw/zinc/59/79/42/393597942.db2.gz AHRXPHKCEGUXAG-UHFFFAOYSA-N -1 3 289.306 3.030 20 0 CGADHM CCOc1cc(/C=C\C(=O)Nc2ccccc2[O-])ccc1O ZINC000492524715 393748781 /nfs/dbraw/zinc/74/87/81/393748781.db2.gz ZCJBJOQDQBRLFK-NTMALXAHSA-N -1 3 299.326 3.148 20 0 CGADHM CC(C)[C@H](CC(F)(F)F)NC(=O)c1cccc([O-])c1 ZINC000438594114 393726543 /nfs/dbraw/zinc/72/65/43/393726543.db2.gz XUFYNSIWIVKXGM-NSHDSACASA-N -1 3 275.270 3.099 20 0 CGADHM CCOc1cc(-c2noc(/C=C\c3ccc[nH]3)n2)ccc1[O-] ZINC000445430983 393793214 /nfs/dbraw/zinc/79/32/14/393793214.db2.gz KZPXOTPKCCIKRM-VURMDHGXSA-N -1 3 297.314 3.339 20 0 CGADHM C[C@@H]1C[C@@H](C)[C@H](C(=O)Nc2ccc(C(C)(C)C)cc2[O-])O1 ZINC000501978574 393865559 /nfs/dbraw/zinc/86/55/59/393865559.db2.gz QCVAUZPGSNUMEK-UEKVPHQBSA-N -1 3 291.391 3.442 20 0 CGADHM [O-]c1cc(F)cc(CN2CCOCC23CCCCC3)c1 ZINC000449621711 393923547 /nfs/dbraw/zinc/92/35/47/393923547.db2.gz AFBSXLZVQZAAAD-UHFFFAOYSA-N -1 3 279.355 3.066 20 0 CGADHM C[C@H]1CCC[C@H](C)N(C(=O)Cc2ccc([O-])c(F)c2)C1 ZINC000449936429 393947255 /nfs/dbraw/zinc/94/72/55/393947255.db2.gz DAHBCIRVSCIDDQ-RYUDHWBXSA-N -1 3 279.355 3.111 20 0 CGADHM Cc1ccc(C(=O)N2C[C@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)c([O-])c1C ZINC000452607605 394092547 /nfs/dbraw/zinc/09/25/47/394092547.db2.gz TUZZISLWZLZART-DFHZNHDVSA-N -1 3 297.398 3.293 20 0 CGADHM CC[C@]1(C(C)C)C[C@@H]1NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000457263013 394338666 /nfs/dbraw/zinc/33/86/66/394338666.db2.gz DNUJSXJSJWIJRH-FUHWJXTLSA-N -1 3 298.386 3.083 20 0 CGADHM C[C@H](NC(=O)c1c[n-]c2ccccc2c1=O)c1ccsc1 ZINC000669919459 543133589 /nfs/dbraw/zinc/13/35/89/543133589.db2.gz OMAFGLXICAEDJR-JTQLQIEISA-N -1 3 298.367 3.081 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2cnn(C(C)(C)C)c2)c1 ZINC000109826101 397653461 /nfs/dbraw/zinc/65/34/61/397653461.db2.gz MSYRKMUHVDUDHG-UHFFFAOYSA-N -1 3 287.363 3.158 20 0 CGADHM CCCc1ncc(C(=O)[N-]c2cnccc2SC)s1 ZINC000674256974 543277932 /nfs/dbraw/zinc/27/79/32/543277932.db2.gz GHNSNGMPUDWHMO-UHFFFAOYSA-N -1 3 293.417 3.465 20 0 CGADHM CSc1ccc(C(=O)[N-]c2cnccc2SC)o1 ZINC000674260195 543278402 /nfs/dbraw/zinc/27/84/02/543278402.db2.gz VXZGMMPHUINUID-UHFFFAOYSA-N -1 3 280.374 3.371 20 0 CGADHM CCOC1CCN(Cc2cccc([O-])c2Cl)CC1 ZINC000385824644 397688801 /nfs/dbraw/zinc/68/88/01/397688801.db2.gz PKNBGLADWDQHIB-UHFFFAOYSA-N -1 3 269.772 3.047 20 0 CGADHM O=C(CCc1ccc2ccccc2c1[O-])N1CCC[C@@H]2C[C@@H]21 ZINC000650075042 397777601 /nfs/dbraw/zinc/77/76/01/397777601.db2.gz UBXWIBCDMCNHHU-WBVHZDCISA-N -1 3 295.382 3.489 20 0 CGADHM CC[C@@H](C(=O)[O-])N1CCc2oc(-c3ccccc3)cc2C1 ZINC000650500019 397858842 /nfs/dbraw/zinc/85/88/42/397858842.db2.gz LLXKNZJPNZDKLV-AWEZNQCLSA-N -1 3 285.343 3.168 20 0 CGADHM O=C([O-])C[C@@H]1CCCCN1CCc1c(F)cccc1Cl ZINC000650505913 397859633 /nfs/dbraw/zinc/85/96/33/397859633.db2.gz VGFKMAUZLHUDHE-NSHDSACASA-N -1 3 299.773 3.351 20 0 CGADHM CCc1cccc(Cl)c1CN(C)[C@H](CC)C(=O)[O-] ZINC000650805619 397927469 /nfs/dbraw/zinc/92/74/69/397927469.db2.gz FUFYZQYJPXWSHZ-CYBMUJFWSA-N -1 3 269.772 3.197 20 0 CGADHM O=C(Nc1cc(Br)ccc1[O-])[C@@H]1CC12CCC2 ZINC000675416394 543337864 /nfs/dbraw/zinc/33/78/64/543337864.db2.gz ULEGFVDZQIVGQD-VIFPVBQESA-N -1 3 296.164 3.283 20 0 CGADHM CC(F)(F)CCC(=O)Nc1ccc(Cl)cc1[O-] ZINC000677211892 543440875 /nfs/dbraw/zinc/44/08/75/543440875.db2.gz FHLSBCNBIQCSCE-UHFFFAOYSA-N -1 3 263.671 3.420 20 0 CGADHM Cc1sc([N-]C(=O)c2cnco2)nc1-c1ccccc1 ZINC000677519587 543453450 /nfs/dbraw/zinc/45/34/50/543453450.db2.gz KPQNMXOPUKRZKP-UHFFFAOYSA-N -1 3 285.328 3.359 20 0 CGADHM CCOc1cccc(NC(=O)c2cc(OC)ccc2[O-])c1 ZINC000042266243 286893638 /nfs/dbraw/zinc/89/36/38/286893638.db2.gz AOGFHXDFFKNPGF-UHFFFAOYSA-N -1 3 287.315 3.052 20 0 CGADHM CCSc1cc(C(=O)Nc2ccccc2[O-])ccn1 ZINC000048911842 286913383 /nfs/dbraw/zinc/91/33/83/286913383.db2.gz JPUAZBGQWUAHIF-UHFFFAOYSA-N -1 3 274.345 3.152 20 0 CGADHM C[C@H](CCNC(=O)c1cccc([O-])c1)c1ccccc1 ZINC000061911421 286959380 /nfs/dbraw/zinc/95/93/80/286959380.db2.gz ZLBYKRMXURZWIB-CYBMUJFWSA-N -1 3 269.344 3.316 20 0 CGADHM Cc1ccc(C(=O)N2CCCc3cccc([O-])c32)cc1F ZINC000063063775 286961926 /nfs/dbraw/zinc/96/19/26/286961926.db2.gz JLOCQDCFOMLBTK-UHFFFAOYSA-N -1 3 285.318 3.433 20 0 CGADHM CC[C@]1(C)CCCN(C(=O)c2ccc(C)cc2[O-])C1 ZINC000075213285 287023091 /nfs/dbraw/zinc/02/30/91/287023091.db2.gz XWDBDKIRRXUMBL-MRXNPFEDSA-N -1 3 261.365 3.353 20 0 CGADHM CC[C@@H]1CCC[C@@H]1C(=O)N1CCCc2cccc([O-])c21 ZINC000450510345 287064342 /nfs/dbraw/zinc/06/43/42/287064342.db2.gz GJNLNEHROBOGGO-OCCSQVGLSA-N -1 3 273.376 3.498 20 0 CGADHM C/C=C/CS[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736302895 572780832 /nfs/dbraw/zinc/78/08/32/572780832.db2.gz HYAOTEOWKUKVOV-HMDXOVGESA-N -1 3 260.366 3.237 20 0 CGADHM Cc1cc([N-]S(=O)(=O)c2ccc(C)c(Cl)c2)ccn1 ZINC000074932174 165097142 /nfs/dbraw/zinc/09/71/42/165097142.db2.gz BQIDTTRYULGGDD-UHFFFAOYSA-N -1 3 296.779 3.153 20 0 CGADHM CC(C)Oc1cccc(CN[C@H](C(=O)[O-])c2ccccc2)c1 ZINC000084854083 165175925 /nfs/dbraw/zinc/17/59/25/165175925.db2.gz VNDUEQNJCXRIBJ-KRWDZBQOSA-N -1 3 299.370 3.389 20 0 CGADHM Cc1ccc([O-])c(CN[C@@H]2CCCc3sccc32)n1 ZINC000091995342 165279711 /nfs/dbraw/zinc/27/97/11/165279711.db2.gz NGQODHVCNNTYLS-GFCCVEGCSA-N -1 3 274.389 3.324 20 0 CGADHM Cc1ccc(C(=O)Nc2cc(CN(C)C)ccc2C)c([O-])c1 ZINC000092229094 165286427 /nfs/dbraw/zinc/28/64/27/165286427.db2.gz GOZDHBDLNRDEGT-UHFFFAOYSA-N -1 3 298.386 3.323 20 0 CGADHM CN(Cc1cc(C(=O)[O-])co1)C1CCC(C)(C)CC1 ZINC000094860121 287122707 /nfs/dbraw/zinc/12/27/07/287122707.db2.gz MXZOAYGSDTZXGB-UHFFFAOYSA-N -1 3 265.353 3.378 20 0 CGADHM Cc1ccc(-c2nc(Cc3cccc(F)c3)no2)c([O-])c1 ZINC000111688734 287136197 /nfs/dbraw/zinc/13/61/97/287136197.db2.gz WCAGUIUTERIYDK-UHFFFAOYSA-N -1 3 284.290 3.481 20 0 CGADHM Cc1cc([N-]S(=O)(=O)c2ccccc2C)ccc1F ZINC000112668539 287143415 /nfs/dbraw/zinc/14/34/15/287143415.db2.gz NIKGHZFGKCQLOD-UHFFFAOYSA-N -1 3 279.336 3.243 20 0 CGADHM Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000120225532 287179775 /nfs/dbraw/zinc/17/97/75/287179775.db2.gz HVDKXYNACJCZDP-UHFFFAOYSA-N -1 3 281.764 3.449 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CCCC[C@H](SC)C2)c1 ZINC000123223927 287217093 /nfs/dbraw/zinc/21/70/93/287217093.db2.gz FICZMEQJAUHBRI-ZDUSSCGKSA-N -1 3 293.432 3.312 20 0 CGADHM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]C(C)C)c1Cl ZINC000008447371 170336639 /nfs/dbraw/zinc/33/66/39/170336639.db2.gz GUMQRERWVQTSFP-UHFFFAOYSA-N -1 3 296.219 3.297 20 0 CGADHM CC(C)(C)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000125334061 287243047 /nfs/dbraw/zinc/24/30/47/287243047.db2.gz SYGAKNXIWYOFPN-UHFFFAOYSA-N -1 3 261.243 3.396 20 0 CGADHM CCN(C(=O)c1cccc(OC)c1[O-])c1ccccc1 ZINC000019839403 170887961 /nfs/dbraw/zinc/88/79/61/170887961.db2.gz QCEJIKIIEJIIPX-UHFFFAOYSA-N -1 3 271.316 3.068 20 0 CGADHM COc1ccc(C(=O)N(Cc2ccccc2)C(C)C)c([O-])c1 ZINC000020260243 171116762 /nfs/dbraw/zinc/11/67/62/171116762.db2.gz WBGTWROHWIXBAJ-UHFFFAOYSA-N -1 3 299.370 3.452 20 0 CGADHM C[C@@H]1CCCCN(C(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC000274749916 287254500 /nfs/dbraw/zinc/25/45/00/287254500.db2.gz NTHVZVDCFFCTJC-GFCCVEGCSA-N -1 3 284.359 3.203 20 0 CGADHM Cc1ccc(NC(=O)/C=C/c2nc3ccccc3o2)c([O-])c1 ZINC000022634732 171395363 /nfs/dbraw/zinc/39/53/63/171395363.db2.gz XZRWKZDCGOYFLG-CMDGGOBGSA-N -1 3 294.310 3.494 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-]c2ncccc2Cl)c(C)c1 ZINC000128624460 287315175 /nfs/dbraw/zinc/31/51/75/287315175.db2.gz NHUXAWRKCAJOPM-UHFFFAOYSA-N -1 3 296.779 3.153 20 0 CGADHM CCc1cccc2c1N(C(=O)c1cccc(C)c1[O-])CC2 ZINC000536687072 288497462 /nfs/dbraw/zinc/49/74/62/288497462.db2.gz QIJCSZXEHNCRTR-UHFFFAOYSA-N -1 3 281.355 3.466 20 0 CGADHM C[C@@H]1CCC[C@H](C(=O)Nc2cccc([O-])c2F)C1 ZINC000129365994 287329579 /nfs/dbraw/zinc/32/95/79/287329579.db2.gz LWIIGIFONRMCPT-ZJUUUORDSA-N -1 3 251.301 3.296 20 0 CGADHM CSc1ccc(CN2CCC(C)(C(=O)[O-])CC2)cc1 ZINC000062844475 416487817 /nfs/dbraw/zinc/48/78/17/416487817.db2.gz KFWNDDUBSJUUEH-UHFFFAOYSA-N -1 3 279.405 3.095 20 0 CGADHM O=C(Cc1cccc(Cl)c1)Nc1cccc([O-])c1F ZINC000129548385 287334553 /nfs/dbraw/zinc/33/45/53/287334553.db2.gz OOPNPBPRTWESAK-UHFFFAOYSA-N -1 3 279.698 3.366 20 0 CGADHM CCC1(C(=O)Nc2cccc([O-])c2F)CCCC1 ZINC000129605902 287335707 /nfs/dbraw/zinc/33/57/07/287335707.db2.gz WISUEKXQDPSCDP-UHFFFAOYSA-N -1 3 251.301 3.440 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2ccc(N(C)C)cc2C)c1 ZINC000129698222 287337546 /nfs/dbraw/zinc/33/75/46/287337546.db2.gz FZNIPNXGKIWUGS-UHFFFAOYSA-N -1 3 284.359 3.327 20 0 CGADHM CC(=O)C(C)(C)CCC(=O)Nc1c(C)cccc1[O-] ZINC000679320853 543616619 /nfs/dbraw/zinc/61/66/19/543616619.db2.gz SRQXOKJGONMIOQ-UHFFFAOYSA-N -1 3 263.337 3.035 20 0 CGADHM Cc1cc(NC(=O)c2ccc(C)cc2[O-])nn1[C@H](C)C1CC1 ZINC000680043967 543679218 /nfs/dbraw/zinc/67/92/18/543679218.db2.gz VBISXZDDATYIQF-GFCCVEGCSA-N -1 3 299.374 3.429 20 0 CGADHM C[C@@H]1CCCN(Cc2c(F)cccc2Cl)[C@H]1C(=O)[O-] ZINC000300268534 287354960 /nfs/dbraw/zinc/35/49/60/287354960.db2.gz ADPYREDBZYSXQF-NOZJJQNGSA-N -1 3 285.746 3.164 20 0 CGADHM CCC(C)(CC)C(=O)Nc1n[n-]c(-c2ccccc2F)n1 ZINC000681090605 543764630 /nfs/dbraw/zinc/76/46/30/543764630.db2.gz UCWDCZKJCCEMSU-UHFFFAOYSA-N -1 3 290.342 3.376 20 0 CGADHM Cc1cc(C(=O)NC(C)(C)CC(F)(F)F)ccc1[O-] ZINC000682019958 543815798 /nfs/dbraw/zinc/81/57/98/543815798.db2.gz OAFNKNYVJNABJW-UHFFFAOYSA-N -1 3 275.270 3.161 20 0 CGADHM COc1cc(C(=O)N[C@H]2CCc3ccc(C)cc32)ccc1[O-] ZINC000682380481 543838178 /nfs/dbraw/zinc/83/81/78/543838178.db2.gz MCIKQNZYTADMMY-HNNXBMFYSA-N -1 3 297.354 3.127 20 0 CGADHM CC(C)c1cnc([N-]C(=O)c2cc(C3CC3)no2)s1 ZINC000685041548 544052595 /nfs/dbraw/zinc/05/25/95/544052595.db2.gz VZFZTUBNPDFRGD-UHFFFAOYSA-N -1 3 277.349 3.384 20 0 CGADHM O=C([N-]c1cnoc1)c1ncccc1Oc1ccccc1 ZINC000685038637 544052620 /nfs/dbraw/zinc/05/26/20/544052620.db2.gz FQJQPSUISJWRDS-UHFFFAOYSA-N -1 3 281.271 3.114 20 0 CGADHM CCN(Cc1ccoc1)C(=O)c1cc([O-])ccc1Cl ZINC000685692955 544094763 /nfs/dbraw/zinc/09/47/63/544094763.db2.gz WHAAQWXWBWKLNH-UHFFFAOYSA-N -1 3 279.723 3.301 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)N[C@@H](c2ccccc2)C2CC2)n1 ZINC000192767122 227285188 /nfs/dbraw/zinc/28/51/88/227285188.db2.gz OIOFKCBTDHMLAU-WBMJQRKESA-N -1 3 283.375 3.293 20 0 CGADHM C[C@@]1(c2ccccc2)CCN(Cc2ccoc2C(=O)[O-])C1 ZINC000652428435 418967213 /nfs/dbraw/zinc/96/72/13/418967213.db2.gz LPKRMSUCBNHIOG-QGZVFWFLSA-N -1 3 285.343 3.141 20 0 CGADHM Cc1oc(C(=O)[O-])cc1CN1CC2(CCC2)C[C@@H]1C ZINC000652446463 418970302 /nfs/dbraw/zinc/97/03/02/418970302.db2.gz FGKMWQHFODTHJO-JTQLQIEISA-N -1 3 263.337 3.051 20 0 CGADHM O=C([O-])c1ccccc1CCN1CCc2sccc2C1 ZINC000652385157 418959697 /nfs/dbraw/zinc/95/96/97/418959697.db2.gz ISRZCSWCAFWVPU-UHFFFAOYSA-N -1 3 287.384 3.047 20 0 CGADHM CCc1cc(C(=O)N[C@@H](CC)[C@H]2CCCCO2)ccc1[O-] ZINC000655350012 419042536 /nfs/dbraw/zinc/04/25/36/419042536.db2.gz WJQPQKFGTJYEDM-GOEBONIOSA-N -1 3 291.391 3.032 20 0 CGADHM O=C(c1ccc(O)cc1[O-])N1CCC[C@H]1CC1CCCC1 ZINC000655364019 419043024 /nfs/dbraw/zinc/04/30/24/419043024.db2.gz XPEJYULDJBQYRX-ZDUSSCGKSA-N -1 3 289.375 3.283 20 0 CGADHM CC[C@H](c1ccc(F)cc1F)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC000652496808 418977062 /nfs/dbraw/zinc/97/70/62/418977062.db2.gz DYRIBSUYHGITAA-JVLSTEMRSA-N -1 3 297.345 3.459 20 0 CGADHM Cc1ccccc1[C@@H]1C[C@H]1NC(=O)Cc1ccc([O-])c(F)c1 ZINC000652758473 418989992 /nfs/dbraw/zinc/98/99/92/418989992.db2.gz XTDAALUVZQYGEG-GOEBONIOSA-N -1 3 299.345 3.055 20 0 CGADHM CSc1nnc(NC(=O)CCC2CCCCCC2)[n-]1 ZINC000654654660 418993339 /nfs/dbraw/zinc/99/33/39/418993339.db2.gz CRPQKNIKVZLGML-UHFFFAOYSA-N -1 3 282.413 3.216 20 0 CGADHM CSc1n[n-]c(NC(=O)CCC2CCCCCC2)n1 ZINC000654654660 418993341 /nfs/dbraw/zinc/99/33/41/418993341.db2.gz CRPQKNIKVZLGML-UHFFFAOYSA-N -1 3 282.413 3.216 20 0 CGADHM CSc1nc(NC(=O)CCC2CCCCCC2)n[n-]1 ZINC000654654660 418993343 /nfs/dbraw/zinc/99/33/43/418993343.db2.gz CRPQKNIKVZLGML-UHFFFAOYSA-N -1 3 282.413 3.216 20 0 CGADHM CCn1c(=O)[n-]nc1SCCCc1c(F)cccc1F ZINC000655466219 419052723 /nfs/dbraw/zinc/05/27/23/419052723.db2.gz SKXVWTFEMVWVFS-UHFFFAOYSA-N -1 3 299.346 3.007 20 0 CGADHM Cc1nc(-c2noc(-c3ccc(C)c(C)c3[O-])n2)[nH]c1C ZINC000665090995 419053351 /nfs/dbraw/zinc/05/33/51/419053351.db2.gz XQQACXHOPPPTRT-UHFFFAOYSA-N -1 3 284.319 3.066 20 0 CGADHM COc1cccc(-c2nc([C@@H]3CCC[C@H]4C[C@H]43)no2)c1[O-] ZINC000656047331 419135767 /nfs/dbraw/zinc/13/57/67/419135767.db2.gz FXYQOVLBXJXGEY-HOSYDEDBSA-N -1 3 286.331 3.354 20 0 CGADHM COc1ccc([O-])c(-c2nc([C@@H]3CCC[C@H]4C[C@H]43)no2)c1 ZINC000656049869 419136981 /nfs/dbraw/zinc/13/69/81/419136981.db2.gz RJPJQUDDTDGWDN-MVWJERBFSA-N -1 3 286.331 3.354 20 0 CGADHM C[C@@H]1CCc2ccccc2N1C(=O)Cc1ccc([O-])c(F)c1 ZINC000665581933 419140771 /nfs/dbraw/zinc/14/07/71/419140771.db2.gz JWZQPPGQOBQRLA-GFCCVEGCSA-N -1 3 299.345 3.442 20 0 CGADHM CC1(C)[C@H](CCC(=O)[O-])C[C@@H]1NCc1cccc(F)c1F ZINC000656568999 419184114 /nfs/dbraw/zinc/18/41/14/419184114.db2.gz VCCPENXBDCXQJK-YPMHNXCESA-N -1 3 297.345 3.334 20 0 CGADHM Cc1cc(=O)[n-]c(C(C)(C)NCc2ccsc2Cl)n1 ZINC000660748815 419189419 /nfs/dbraw/zinc/18/94/19/419189419.db2.gz AUIKRXWIZFQVRH-UHFFFAOYSA-N -1 3 297.811 3.230 20 0 CGADHM C[C@@H]1CC[C@H](C(=O)[O-])CN1CCCc1c(F)cccc1F ZINC000655931137 419127576 /nfs/dbraw/zinc/12/75/76/419127576.db2.gz WKMITMYESLJSCO-NEPJUHHUSA-N -1 3 297.345 3.083 20 0 CGADHM COc1cccc(CN(C)[C@@H](CC(C)C)C(=O)[O-])c1Cl ZINC000656756197 419209898 /nfs/dbraw/zinc/20/98/98/419209898.db2.gz IGCOIWMLWJDWRJ-LBPRGKRZSA-N -1 3 299.798 3.280 20 0 CGADHM CCc1oc(C(=O)[O-])cc1CN1CCC[C@@H](CCF)C1 ZINC000656763106 419211827 /nfs/dbraw/zinc/21/18/27/419211827.db2.gz LBTFQCIARSZOCB-NSHDSACASA-N -1 3 283.343 3.112 20 0 CGADHM CCCN(CCCCC(=O)[O-])Cc1ccccc1F ZINC000656766199 419211873 /nfs/dbraw/zinc/21/18/73/419211873.db2.gz SENGMLLDSPSMIV-UHFFFAOYSA-N -1 3 267.344 3.293 20 0 CGADHM C[C@@H]1CCN(C(=O)C[C@H]2CCCCO2)c2c([O-])cccc21 ZINC000186261638 287524078 /nfs/dbraw/zinc/52/40/78/287524078.db2.gz BFZNSZRAPJRHCJ-CHWSQXEVSA-N -1 3 289.375 3.192 20 0 CGADHM C[C@H]1CCC[C@@H](CNCc2cccc([O-])c2Cl)O1 ZINC000657669567 419324754 /nfs/dbraw/zinc/32/47/54/419324754.db2.gz NPKWXOCLDIOYGO-JQWIXIFHSA-N -1 3 269.772 3.093 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCC[C@@H](C3CCC3)C2)n1 ZINC000662042416 419327808 /nfs/dbraw/zinc/32/78/08/419327808.db2.gz GEDVSFHUYFNRAJ-TZMCWYRMSA-N -1 3 275.396 3.064 20 0 CGADHM CC12CC(C1)CN2Cc1cccc(C(=O)[O-])c1Cl ZINC000663315791 419551870 /nfs/dbraw/zinc/55/18/70/419551870.db2.gz OYGXUBKTZUXBRV-UHFFFAOYSA-N -1 3 265.740 3.023 20 0 CGADHM CC(C)c1cccc(CN2CCC(CC(=O)[O-])CC2)c1 ZINC000663316183 419553236 /nfs/dbraw/zinc/55/32/36/419553236.db2.gz CBOIDMYMPLNPJI-UHFFFAOYSA-N -1 3 275.392 3.497 20 0 CGADHM [O-]c1coc2cc(OCCCc3ccsc3)ccc12 ZINC000664133684 419835563 /nfs/dbraw/zinc/83/55/63/419835563.db2.gz AKKHSWSRMDFUBT-UHFFFAOYSA-N -1 3 274.341 3.335 20 0 CGADHM CC[C@H]1CCC[C@@H](NC(=O)c2ccc([O-])c(C)c2)C1 ZINC000227033459 287636821 /nfs/dbraw/zinc/63/68/21/287636821.db2.gz VZKWRQVJMKRSPM-GXTWGEPZSA-N -1 3 261.365 3.399 20 0 CGADHM CCc1ccc(NC(=O)/C=C/c2cncc([O-])c2)cc1 ZINC000179384861 260046149 /nfs/dbraw/zinc/04/61/49/260046149.db2.gz KZUWGSYVDAGQCW-VMPITWQZSA-N -1 3 268.316 3.002 20 0 CGADHM Cc1ncsc1/C=C/C(=O)Nc1c(C)cccc1[O-] ZINC000189068273 262166919 /nfs/dbraw/zinc/16/69/19/262166919.db2.gz TYZASXPYVDUBOT-VOTSOKGWSA-N -1 3 274.345 3.117 20 0 CGADHM COc1ccc(C(=O)N(C)[C@H](C)c2cccs2)c([O-])c1 ZINC000042315212 270032355 /nfs/dbraw/zinc/03/23/55/270032355.db2.gz UZNGKBHMTQDILA-SNVBAGLBSA-N -1 3 291.372 3.296 20 0 CGADHM Cc1ccc(C(=O)N2CCC[C@H]2C2CCCC2)c([O-])c1 ZINC000044352578 270035604 /nfs/dbraw/zinc/03/56/04/270035604.db2.gz AFQDELDSJYDVKU-HNNXBMFYSA-N -1 3 273.376 3.495 20 0 CGADHM CCCC[C@H](CC)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000104366221 270046834 /nfs/dbraw/zinc/04/68/34/270046834.db2.gz HICPDEBRTYWSJL-NSHDSACASA-N -1 3 287.367 3.022 20 0 CGADHM CCCC[C@H](CC)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000104366221 270046835 /nfs/dbraw/zinc/04/68/35/270046835.db2.gz HICPDEBRTYWSJL-NSHDSACASA-N -1 3 287.367 3.022 20 0 CGADHM CC[C@]1(C)C[C@@H]1C(=O)N1CCCc2cccc([O-])c21 ZINC000182911925 270054359 /nfs/dbraw/zinc/05/43/59/270054359.db2.gz PJKVXVXMLPMAOF-MLGOLLRUSA-N -1 3 259.349 3.108 20 0 CGADHM C[C@@H]1CCC[C@@H](C(=O)N2CCCc3cccc([O-])c32)C1 ZINC000182908910 270054522 /nfs/dbraw/zinc/05/45/22/270054522.db2.gz KIXPJFAMRIQXFE-TZMCWYRMSA-N -1 3 273.376 3.498 20 0 CGADHM CC(C)[C@@]1(C)C[C@H]1C(=O)Nc1cccc([O-])c1F ZINC000186590875 270066701 /nfs/dbraw/zinc/06/67/01/270066701.db2.gz WTULQOJFIGQDFY-LKFCYVNXSA-N -1 3 251.301 3.152 20 0 CGADHM Cc1cc(C(=O)N[C@H]2CCC[C@H](C)CC2)ccc1[O-] ZINC000227535820 270087170 /nfs/dbraw/zinc/08/71/70/270087170.db2.gz JQMKIDVHSBIJLH-FZMZJTMJSA-N -1 3 261.365 3.399 20 0 CGADHM Cc1cc(C)c(CNc2ccc3c(c2)C(=O)[N-]C3=O)cc1C ZINC000315943758 270092777 /nfs/dbraw/zinc/09/27/77/270092777.db2.gz XLPHOKZMDWCDAF-UHFFFAOYSA-N -1 3 294.354 3.108 20 0 CGADHM CC[C@H](Cc1ccccc1)N(C)Cc1cc(C(=O)[O-])co1 ZINC000517575543 270097455 /nfs/dbraw/zinc/09/74/55/270097455.db2.gz GZCFNBWHBJUCPX-OAHLLOKOSA-N -1 3 287.359 3.431 20 0 CGADHM C[C@@H]1CC[C@H](C)N1Cc1c(Cl)cccc1C(=O)[O-] ZINC000521257060 270101522 /nfs/dbraw/zinc/10/15/22/270101522.db2.gz CNWKLGCTEYBDRN-AOOOYVTPSA-N -1 3 267.756 3.411 20 0 CGADHM [O-]c1cccnc1CSc1nccn1Cc1ccccc1 ZINC000522058286 270104238 /nfs/dbraw/zinc/10/42/38/270104238.db2.gz OWXQZOMORSTIEO-UHFFFAOYSA-N -1 3 297.383 3.324 20 0 CGADHM CC(C)(C)[C@@H]([N-]C(=O)CC(F)(F)F)C(F)(F)F ZINC000524772902 270115106 /nfs/dbraw/zinc/11/51/06/270115106.db2.gz UYACRAIKUQCHEF-ZCFIWIBFSA-N -1 3 265.197 3.032 20 0 CGADHM COc1ccc([O-])c(C(=O)N[C@H]2C[C@@H]2C2CCCCC2)c1 ZINC000525258718 270118651 /nfs/dbraw/zinc/11/86/51/270118651.db2.gz MWQUNONTYATSOW-HIFRSBDPSA-N -1 3 289.375 3.099 20 0 CGADHM CC(C)(C)c1ccc(CNCc2ncccc2[O-])cc1 ZINC000526992159 270124389 /nfs/dbraw/zinc/12/43/89/270124389.db2.gz CAHWXPDSBAVHJF-UHFFFAOYSA-N -1 3 270.376 3.375 20 0 CGADHM [O-]c1ccc(-c2noc([C@H]3CCCC34CC4)n2)cc1 ZINC000528154217 270155987 /nfs/dbraw/zinc/15/59/87/270155987.db2.gz FITJSUYFZUSPMR-GFCCVEGCSA-N -1 3 256.305 3.490 20 0 CGADHM COc1cc(F)c([N-]C(=O)c2conc2C(C)C)cc1F ZINC000528822048 270173986 /nfs/dbraw/zinc/17/39/86/270173986.db2.gz ZMYNEFLQNJFJJG-UHFFFAOYSA-N -1 3 296.273 3.337 20 0 CGADHM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000528873923 270175117 /nfs/dbraw/zinc/17/51/17/270175117.db2.gz DMJXYUYPZOSJQT-LOKDSWTASA-N -1 3 283.755 3.044 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)[C@@H]2[C@H](C)O[C@H](C)[C@H]2C)c1[O-] ZINC000528902413 270175651 /nfs/dbraw/zinc/17/56/51/270175651.db2.gz CDJSIAGLDYRDQC-DNJQJEMRSA-N -1 3 297.782 3.352 20 0 CGADHM Cc1scnc1[N-]C(=O)c1oc2c(c1C)C(=O)CCC2 ZINC000529551215 270184413 /nfs/dbraw/zinc/18/44/13/270184413.db2.gz XDFDPIWLAQRJHV-UHFFFAOYSA-N -1 3 290.344 3.124 20 0 CGADHM Cc1scnc1[N-]C(=O)c1csc([C@H]2CCCO2)n1 ZINC000529551648 270184463 /nfs/dbraw/zinc/18/44/63/270184463.db2.gz PDYKPSCHEIUNOJ-SECBINFHSA-N -1 3 295.389 3.012 20 0 CGADHM CCC(NC(=O)c1cccc(OC)c1[O-])(C1CC1)C1CC1 ZINC000529792100 270188531 /nfs/dbraw/zinc/18/85/31/270188531.db2.gz DUPGYWIGHPCWOF-UHFFFAOYSA-N -1 3 289.375 3.099 20 0 CGADHM Cc1cccc([C@H](NC(=O)c2csc(=O)[n-]2)C(C)C)c1 ZINC000530034851 270193346 /nfs/dbraw/zinc/19/33/46/270193346.db2.gz YAVNVGXQXWDFDQ-CYBMUJFWSA-N -1 3 290.388 3.284 20 0 CGADHM Cc1ccc(CN2CCc3occc3[C@@H]2C(=O)[O-])cc1C ZINC000530169670 270195207 /nfs/dbraw/zinc/19/52/07/270195207.db2.gz QSNWKDSZCDWILD-MRXNPFEDSA-N -1 3 285.343 3.080 20 0 CGADHM CCc1ccccc1CN1CCc2occc2[C@H]1C(=O)[O-] ZINC000530166207 270195452 /nfs/dbraw/zinc/19/54/52/270195452.db2.gz MAJIZQYYSZTHJG-INIZCTEOSA-N -1 3 285.343 3.026 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)[C@H]2CC=CCC2)c1-c1ccc(F)cc1 ZINC000530275340 270198104 /nfs/dbraw/zinc/19/81/04/270198104.db2.gz ZGEOEOBUVYPZNB-ZDUSSCGKSA-N -1 3 299.349 3.241 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)[C@H]2CC=CCC2)c1-c1ccc(C)cc1 ZINC000530272455 270198158 /nfs/dbraw/zinc/19/81/58/270198158.db2.gz QMWRDZAGVPPWTR-HNNXBMFYSA-N -1 3 295.386 3.410 20 0 CGADHM OCc1nc(SC(c2ccccc2)c2ccccc2)n[n-]1 ZINC000530346172 270199267 /nfs/dbraw/zinc/19/92/67/270199267.db2.gz IDNBEAPQFNDILJ-UHFFFAOYSA-N -1 3 297.383 3.179 20 0 CGADHM CC1(C)CC(C(=O)Nc2cc(Cl)ccc2[O-])C1 ZINC000354218572 276100299 /nfs/dbraw/zinc/10/02/99/276100299.db2.gz ODCLTQBOGAKEMU-UHFFFAOYSA-N -1 3 253.729 3.420 20 0 CGADHM CCOc1ccc(C(=O)N2CCCc3cccc([O-])c32)cc1 ZINC000170873012 276372307 /nfs/dbraw/zinc/37/23/07/276372307.db2.gz IVEHONVZIRYXQZ-UHFFFAOYSA-N -1 3 297.354 3.384 20 0 CGADHM C[C@@H](CCNCc1cc(Cl)ccc1F)CC(=O)[O-] ZINC000277534466 287898538 /nfs/dbraw/zinc/89/85/38/287898538.db2.gz ZHJKBQCBVWLAOC-VIFPVBQESA-N -1 3 273.735 3.070 20 0 CGADHM COc1cc(C(=O)N2CCC[C@H]2c2ccccc2)ccc1[O-] ZINC000268063358 277368216 /nfs/dbraw/zinc/36/82/16/277368216.db2.gz FXROELGLWDKQHL-HNNXBMFYSA-N -1 3 297.354 3.378 20 0 CGADHM CC(F)(F)CCCNC(=O)Cc1ccc([O-])cc1Cl ZINC000452204930 278159134 /nfs/dbraw/zinc/15/91/34/278159134.db2.gz ZINJJSCTYKAFLB-UHFFFAOYSA-N -1 3 291.725 3.140 20 0 CGADHM Cc1cccc(C(=O)N2CC(C)(C)[C@@H]2c2ccncc2)c1[O-] ZINC000293950173 278910159 /nfs/dbraw/zinc/91/01/59/278910159.db2.gz PBWTXJZYMMWCLC-INIZCTEOSA-N -1 3 296.370 3.319 20 0 CGADHM O=C([N-]c1cc(Cl)ccc1F)c1ncc(F)cc1F ZINC000192076647 335089654 /nfs/dbraw/zinc/08/96/54/335089654.db2.gz MCPZENVUSGIJGF-UHFFFAOYSA-N -1 3 286.640 3.405 20 0 CGADHM CC[C@@H]1CCCCN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000299457629 280245739 /nfs/dbraw/zinc/24/57/39/280245739.db2.gz WSYWYXPFEBVWCE-GFCCVEGCSA-N -1 3 284.359 3.345 20 0 CGADHM CC[C@@H]1CCCN1C(=O)c1c[n-]c2c(C)cc(C)cc2c1=O ZINC000361397534 280282989 /nfs/dbraw/zinc/28/29/89/280282989.db2.gz MKTOWVBROZNRIJ-CYBMUJFWSA-N -1 3 298.386 3.160 20 0 CGADHM CC[C@H]1CCCN1C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436549579 288221635 /nfs/dbraw/zinc/22/16/35/288221635.db2.gz XOUJIRRLYWZJPN-LBPRGKRZSA-N -1 3 289.375 3.120 20 0 CGADHM CC[C@@]1(C)CCN(C(=O)c2ccc(C)c(C)c2[O-])C1 ZINC000436587155 280640449 /nfs/dbraw/zinc/64/04/49/280640449.db2.gz VYLPCGJHONLEHZ-INIZCTEOSA-N -1 3 261.365 3.271 20 0 CGADHM CC(C)c1noc([N-][C@@H](C)[C@H]2OCCc3sccc32)n1 ZINC000292166549 280734677 /nfs/dbraw/zinc/73/46/77/280734677.db2.gz DJMHXHMFYDGKIS-JOYOIKCWSA-N -1 3 293.392 3.369 20 0 CGADHM Cc1ccc(C(=O)N2CC[C@H](C)c3cccc([O-])c32)n1C ZINC000186255091 280771169 /nfs/dbraw/zinc/77/11/69/280771169.db2.gz RRZWWLNBOPSQTC-NSHDSACASA-N -1 3 284.359 3.193 20 0 CGADHM Cc1cc(C(=O)N[C@H](c2ccccn2)C2CCC2)ccc1[O-] ZINC000529832065 288277603 /nfs/dbraw/zinc/27/76/03/288277603.db2.gz UCSDBPVFYIYGTF-KRWDZBQOSA-N -1 3 296.370 3.367 20 0 CGADHM CCC(C)(C)OC1CN(C(=O)c2ccc(C)c(C)c2[O-])C1 ZINC000529807053 288277063 /nfs/dbraw/zinc/27/70/63/288277063.db2.gz CLGZMXCVIWPZLI-UHFFFAOYSA-N -1 3 291.391 3.039 20 0 CGADHM Cc1cc(C)cc(CN2CCc3occc3[C@H]2C(=O)[O-])c1 ZINC000530171638 288292280 /nfs/dbraw/zinc/29/22/80/288292280.db2.gz YPBFHIISEBTMEZ-INIZCTEOSA-N -1 3 285.343 3.080 20 0 CGADHM C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)N1Cc1ccc(Cl)cc1 ZINC000530174021 288293111 /nfs/dbraw/zinc/29/31/11/288293111.db2.gz HQVBHTWCKLBFBR-PTEHBNRSSA-N -1 3 281.783 3.414 20 0 CGADHM C[C@@H]1CC(C(=O)[O-])C[C@@H](C)N1Cc1ccc(Cl)s1 ZINC000530174231 288293146 /nfs/dbraw/zinc/29/31/46/288293146.db2.gz IYTNZJXZAINDKS-RKDXNWHRSA-N -1 3 287.812 3.475 20 0 CGADHM CCc1cccc(C(=O)N2C[C@H](C)C[C@@H](C)[C@H]2C)c1[O-] ZINC000530510129 288308954 /nfs/dbraw/zinc/30/89/54/288308954.db2.gz CDMLUKGNLPZZAF-JHJVBQTASA-N -1 3 275.392 3.461 20 0 CGADHM Cc1cccc(C(=O)N2CC[C@@H](c3ccc(F)cc3)C2)c1[O-] ZINC000268109353 281191217 /nfs/dbraw/zinc/19/12/17/281191217.db2.gz YYMBBVLQVULTDY-CQSZACIVSA-N -1 3 299.345 3.469 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2ccc3c[nH]nc3c2)c1 ZINC000537643137 288541637 /nfs/dbraw/zinc/54/16/37/288541637.db2.gz MLBBWNZVLFRPEF-UHFFFAOYSA-N -1 3 281.315 3.083 20 0 CGADHM CCc1ccc([O-])c(C(=O)N(C)C2CCCCC2)c1 ZINC000537644275 288541646 /nfs/dbraw/zinc/54/16/46/288541646.db2.gz MUVARKXUDFLFIE-UHFFFAOYSA-N -1 3 261.365 3.359 20 0 CGADHM O=C(c1ccc(C2CC2)cn1)N1CCCc2cccc([O-])c21 ZINC000538715926 288583437 /nfs/dbraw/zinc/58/34/37/288583437.db2.gz DRPVPDTYSRFWMZ-UHFFFAOYSA-N -1 3 294.354 3.258 20 0 CGADHM Cc1cccc([O-])c1NC(=O)CO[C@H]1CCC[C@H](C)C1 ZINC000538950837 288595679 /nfs/dbraw/zinc/59/56/79/288595679.db2.gz AAJAZMBXOWDSAO-AAEUAGOBSA-N -1 3 277.364 3.234 20 0 CGADHM Cc1cc(C(=O)N(C2CC2)C2CCCC2)ccc1[O-] ZINC000541855781 288723752 /nfs/dbraw/zinc/72/37/52/288723752.db2.gz ZGJXQRQKHKXXGE-UHFFFAOYSA-N -1 3 259.349 3.248 20 0 CGADHM CCc1[n-][nH]c(=NC(=O)[C@@H](C)CCC(C)(C)C)c1C ZINC000543646269 288814149 /nfs/dbraw/zinc/81/41/49/288814149.db2.gz GEPSQXICKPFUBY-JTQLQIEISA-N -1 3 265.401 3.103 20 0 CGADHM CC(=O)c1cccc(NC(=O)Cc2cc(C)ccc2C)c1[O-] ZINC000552069175 289159247 /nfs/dbraw/zinc/15/92/47/289159247.db2.gz GHYVXYSZDXMGSC-UHFFFAOYSA-N -1 3 297.354 3.393 20 0 CGADHM CCc1cnc(NC(=O)c2ccc([O-])c(CC)c2)s1 ZINC000553158337 289210621 /nfs/dbraw/zinc/21/06/21/289210621.db2.gz UKCRHKVFOVYLAH-UHFFFAOYSA-N -1 3 276.361 3.226 20 0 CGADHM C[C@@H]1CCC[C@@H](CNC(=O)c2c[n-]nc2-c2ccccn2)C1 ZINC000554993281 289322578 /nfs/dbraw/zinc/32/25/78/289322578.db2.gz WUSMZARSMMGJOK-CHWSQXEVSA-N -1 3 298.390 3.028 20 0 CGADHM O=C(Nc1ccc([O-])cc1F)[C@H]1CCCCCC(=O)C1 ZINC000562327763 289692177 /nfs/dbraw/zinc/69/21/77/289692177.db2.gz MVOQRJFBCCKVMS-JTQLQIEISA-N -1 3 279.311 3.009 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N2CCC[C@H](C(C)C)CC2)n1 ZINC000580520026 335090787 /nfs/dbraw/zinc/09/07/87/335090787.db2.gz KNNJNNPGQUTZIN-KBPBESRZSA-N -1 3 277.412 3.310 20 0 CGADHM C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc3c(c2[O-])CCCC3)C1 ZINC000436948475 297225770 /nfs/dbraw/zinc/22/57/70/297225770.db2.gz OUVVYUORANENMR-CHWSQXEVSA-N -1 3 287.403 3.389 20 0 CGADHM Cc1cc(F)c(CN[C@H](C)[C@H](C(=O)[O-])C(C)C)c(F)c1 ZINC000424622586 301295461 /nfs/dbraw/zinc/29/54/61/301295461.db2.gz OWWISEJKNXCLAV-QMTHXVAHSA-N -1 3 285.334 3.108 20 0 CGADHM Cc1ccc(C(=O)N2[C@H](C)CCC[C@H]2C)c([O-])c1C ZINC000436565343 301523839 /nfs/dbraw/zinc/52/38/39/301523839.db2.gz IYDRYFGJFXAZHC-VXGBXAGGSA-N -1 3 261.365 3.412 20 0 CGADHM CCO[C@@H](CC)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000153693639 321724961 /nfs/dbraw/zinc/72/49/61/321724961.db2.gz ZLZXYJVIIOYBBN-NSHDSACASA-N -1 3 291.269 3.165 20 0 CGADHM CCc1cccc(CC(=O)Nc2ccccc2[O-])c1 ZINC000161710066 321872440 /nfs/dbraw/zinc/87/24/40/321872440.db2.gz NBRQCQUZBKIJBN-UHFFFAOYSA-N -1 3 255.317 3.136 20 0 CGADHM O=C(c1cccc2[nH]ccc21)N1CCCc2cccc([O-])c21 ZINC000170873053 321916481 /nfs/dbraw/zinc/91/64/81/321916481.db2.gz ALLQXWDAPIKSSW-UHFFFAOYSA-N -1 3 292.338 3.467 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2ccc(-c3ncon3)cc2)c1 ZINC000171012180 321919322 /nfs/dbraw/zinc/91/93/22/321919322.db2.gz CPWZWRMXNQNLRN-UHFFFAOYSA-N -1 3 295.298 3.003 20 0 CGADHM CC(C)C1CCC(N(C)C(=O)Cc2cncc([O-])c2)CC1 ZINC000563411807 321995743 /nfs/dbraw/zinc/99/57/43/321995743.db2.gz DIXJGZSFUXIXAC-UHFFFAOYSA-N -1 3 290.407 3.003 20 0 CGADHM C[C@H]1C[C@H]1CC(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000564501749 322032787 /nfs/dbraw/zinc/03/27/87/322032787.db2.gz AZORVAJGFADGQS-YUMQZZPRSA-N -1 3 273.254 3.396 20 0 CGADHM C[C@@H]1[C@H](c2ccccc2)CCN1c1ccncc1C(=O)[O-] ZINC000565036544 322055971 /nfs/dbraw/zinc/05/59/71/322055971.db2.gz VHDXIMSVXZZWIA-TZMCWYRMSA-N -1 3 282.343 3.162 20 0 CGADHM COc1cccc(CN(C)[C@H](C(=O)[O-])c2ccccc2C)c1 ZINC000565102521 322059925 /nfs/dbraw/zinc/05/99/25/322059925.db2.gz GLSPAUCIWAMNSR-KRWDZBQOSA-N -1 3 299.370 3.261 20 0 CGADHM O=C([O-])c1ccc(CN2CCC[C@H]2c2ccccc2)o1 ZINC000565105967 322060930 /nfs/dbraw/zinc/06/09/30/322060930.db2.gz VENLYCDFUAYLKJ-AWEZNQCLSA-N -1 3 271.316 3.315 20 0 CGADHM CCc1cc(C(=O)Nc2cc(C3CC3)ccn2)ccc1[O-] ZINC000566045686 322101827 /nfs/dbraw/zinc/10/18/27/322101827.db2.gz SLJOKVWRRYALAN-UHFFFAOYSA-N -1 3 282.343 3.479 20 0 CGADHM C[C@H](c1ccc(Cl)cc1)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000566219610 322109749 /nfs/dbraw/zinc/10/97/49/322109749.db2.gz GBXDZYDCFIIUAY-GYSYKLTISA-N -1 3 281.783 3.444 20 0 CGADHM CC(C)Oc1ccccc1CN1C[C@@H](C(=O)[O-])CC[C@@H]1C ZINC000566222151 322110125 /nfs/dbraw/zinc/11/01/25/322110125.db2.gz YJARUZXWULKSRL-ZFWWWQNUSA-N -1 3 291.391 3.159 20 0 CGADHM COc1ccc(Cl)c(CN2CCC[C@](C)(C(=O)[O-])C2)c1 ZINC000566358729 322117685 /nfs/dbraw/zinc/11/76/85/322117685.db2.gz ZWTHGUNYJCKXST-HNNXBMFYSA-N -1 3 297.782 3.035 20 0 CGADHM CCS[C@H]1CCCCN(Cc2cc(C(=O)[O-])c(C)o2)C1 ZINC000566359858 322118473 /nfs/dbraw/zinc/11/84/73/322118473.db2.gz YSYXBJRUTKTDAQ-ZDUSSCGKSA-N -1 3 297.420 3.394 20 0 CGADHM CCCc1coc([N-]C(=O)c2ccc(Br)o2)n1 ZINC000566426966 322122278 /nfs/dbraw/zinc/12/22/78/322122278.db2.gz MWRSWOLITGJEAD-UHFFFAOYSA-N -1 3 299.124 3.235 20 0 CGADHM CC[C@H](F)CN1CCC(Cc2ccccc2C(=O)[O-])CC1 ZINC000566510160 322127830 /nfs/dbraw/zinc/12/78/30/322127830.db2.gz KSLYVHPTZBDUQH-HNNXBMFYSA-N -1 3 293.382 3.387 20 0 CGADHM C(=CC1CCCC1)c1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000566917615 322143044 /nfs/dbraw/zinc/14/30/44/322143044.db2.gz DVVNIRFKOWHLQB-VMPITWQZSA-N -1 3 281.319 3.211 20 0 CGADHM CC(C)COC1CCN([C@H](C(=O)[O-])c2ccsc2)CC1 ZINC000567116809 322151304 /nfs/dbraw/zinc/15/13/04/322151304.db2.gz NBLFKYSBUUCODP-AWEZNQCLSA-N -1 3 297.420 3.011 20 0 CGADHM CC1(C)CCN(C(=O)Cc2cncc([O-])c2)c2ccccc21 ZINC000567291238 322157906 /nfs/dbraw/zinc/15/79/06/322157906.db2.gz VBSYZNBYVZVYRQ-UHFFFAOYSA-N -1 3 296.370 3.044 20 0 CGADHM Cc1c2ccc(NC(=O)c3cc(C)ccc3[O-])cc2nn1C ZINC000567298931 322158191 /nfs/dbraw/zinc/15/81/91/322158191.db2.gz XOJAYTFCSGOKGS-UHFFFAOYSA-N -1 3 295.342 3.148 20 0 CGADHM CC[C@H](CCNCc1ccc(C)cc1Cl)C(=O)[O-] ZINC000567986041 322186926 /nfs/dbraw/zinc/18/69/26/322186926.db2.gz HFDIFJWLBFTCMG-LLVKDONJSA-N -1 3 269.772 3.239 20 0 CGADHM C[C@@H](CN(Cc1sccc1Cl)C1CC1)C(=O)[O-] ZINC000568074071 322192081 /nfs/dbraw/zinc/19/20/81/322192081.db2.gz VSGBTNCVJIBJAU-QMMMGPOBSA-N -1 3 273.785 3.087 20 0 CGADHM CC1(C)CCC[C@H](NC(=O)c2c[n-]nc2-c2ccccn2)C1 ZINC000568921280 322227533 /nfs/dbraw/zinc/22/75/33/322227533.db2.gz DUCQQLREAPZPNV-LBPRGKRZSA-N -1 3 298.390 3.170 20 0 CGADHM COc1ccc(Cl)cc1CN(C)Cc1ncccc1[O-] ZINC000569208767 322239438 /nfs/dbraw/zinc/23/94/38/322239438.db2.gz GGHCXEQZPGKZNY-UHFFFAOYSA-N -1 3 292.766 3.081 20 0 CGADHM O=C([O-])c1cnccc1N1CCC[C@@H]1c1ccsc1 ZINC000569224813 322239822 /nfs/dbraw/zinc/23/98/22/322239822.db2.gz FSDCIGOYDSRWTA-GFCCVEGCSA-N -1 3 274.345 3.183 20 0 CGADHM CCCC[C@H](C)C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000569391008 322246009 /nfs/dbraw/zinc/24/60/09/322246009.db2.gz IXBVBYQPBPJUOP-JTQLQIEISA-N -1 3 263.337 3.360 20 0 CGADHM CC(C)(C)OC1CC(CC(=O)Nc2cccc([O-])c2F)C1 ZINC000569544112 322249957 /nfs/dbraw/zinc/24/99/57/322249957.db2.gz CERVZVOBTUDIEH-UHFFFAOYSA-N -1 3 295.354 3.454 20 0 CGADHM C[C@@H](c1ncc(C(C)(C)C)o1)N1C[C@@H](C)[C@@](C)(C(=O)[O-])C1 ZINC000569612251 322252138 /nfs/dbraw/zinc/25/21/38/322252138.db2.gz UQAZIGIOMYPBBN-GDLVEWKHSA-N -1 3 294.395 3.076 20 0 CGADHM CC(C)c1cc(C(=O)[N-]c2nc(C(C)(C)C)co2)no1 ZINC000570864163 322284072 /nfs/dbraw/zinc/28/40/72/322284072.db2.gz PBRPQGOUPIWTSA-UHFFFAOYSA-N -1 3 277.324 3.336 20 0 CGADHM CCc1cccc(-c2nc([C@H](N)CC(C)C)no2)c1[O-] ZINC000571164343 322291859 /nfs/dbraw/zinc/29/18/59/322291859.db2.gz GJXSWCSGSNKCGI-GFCCVEGCSA-N -1 3 275.352 3.051 20 0 CGADHM O=C(NCc1ccc([O-])c(F)c1)[C@@H]1CCCC[C@H]1C1CC1 ZINC000571447218 322298930 /nfs/dbraw/zinc/29/89/30/322298930.db2.gz QBWXUNSWRYKQAN-UONOGXRCSA-N -1 3 291.366 3.364 20 0 CGADHM CC(C)[C@@H]1CN(C(=O)Cc2cncc([O-])c2)c2ccccc21 ZINC000571462326 322299516 /nfs/dbraw/zinc/29/95/16/322299516.db2.gz RZMDYCYDVZMEHC-INIZCTEOSA-N -1 3 296.370 3.116 20 0 CGADHM O=C(Nc1c([O-])cccc1Cl)[C@@H]1C[C@H]1C1CCC1 ZINC000571580827 322302366 /nfs/dbraw/zinc/30/23/66/322302366.db2.gz WCIJJAPNTHWFLB-VHSXEESVSA-N -1 3 265.740 3.420 20 0 CGADHM CC[C@H]1CCCN([C@@H](C)c2cc(C(=O)[O-])c(C)o2)C1 ZINC000572413602 322336267 /nfs/dbraw/zinc/33/62/67/322336267.db2.gz LXLKWOAAODKRGR-JQWIXIFHSA-N -1 3 265.353 3.469 20 0 CGADHM COc1cccc([C@@H](C)NC(=O)c2ccc([O-])c(C)c2)c1 ZINC000436921723 533708465 /nfs/dbraw/zinc/70/84/65/533708465.db2.gz KXRLXFNXICYJJX-GFCCVEGCSA-N -1 3 285.343 3.200 20 0 CGADHM CCc1ccc(-c2nc(-c3c(C)noc3C)no2)c([O-])c1 ZINC000580039134 327478727 /nfs/dbraw/zinc/47/87/27/327478727.db2.gz UAVMGGLPXLPIBK-UHFFFAOYSA-N -1 3 285.303 3.276 20 0 CGADHM C[C@H](NC(=O)c1cccc([O-])c1)[C@H]1CC2CCC1CC2 ZINC000394295808 329116587 /nfs/dbraw/zinc/11/65/87/329116587.db2.gz ARBSREOSHVHNBD-PIISCBOPSA-N -1 3 273.376 3.337 20 0 CGADHM Cc1cc(CN(C)[C@H](C)c2ccccc2)oc1C(=O)[O-] ZINC000394882757 329166955 /nfs/dbraw/zinc/16/69/55/329166955.db2.gz ATXYTKGPVWNOJY-GFCCVEGCSA-N -1 3 273.332 3.479 20 0 CGADHM CCc1c([N-]C(=O)[C@](C)(CC)OC)onc1C(F)(F)F ZINC000582853691 329280441 /nfs/dbraw/zinc/28/04/41/329280441.db2.gz KHFQLIQPZGZMKX-NSHDSACASA-N -1 3 294.273 3.009 20 0 CGADHM Cc1ccc2nccc(N3CC[C@@](C(=O)[O-])(C(C)C)C3)c2c1 ZINC000580436501 330136859 /nfs/dbraw/zinc/13/68/59/330136859.db2.gz ZJFCEBFKMUWLSS-SFHVURJKSA-N -1 3 298.386 3.480 20 0 CGADHM Cc1cc(C(=O)NC2(C(F)F)CCCCC2)ccc1[O-] ZINC000580477674 330145630 /nfs/dbraw/zinc/14/56/30/330145630.db2.gz ZFFBBUPTUDBDMT-UHFFFAOYSA-N -1 3 283.318 3.398 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])C(=O)c1ccc(Cl)cc1 ZINC000174873284 335167891 /nfs/dbraw/zinc/16/78/91/335167891.db2.gz GLHIRGUQAUFFNW-UHFFFAOYSA-N -1 3 293.681 3.006 20 0 CGADHM COc1cccc(CCC(=O)Nc2cc(F)ccc2[O-])c1 ZINC000174889731 335168675 /nfs/dbraw/zinc/16/86/75/335168675.db2.gz VFJKRMYTPKUKED-UHFFFAOYSA-N -1 3 289.306 3.111 20 0 CGADHM Cc1ccc(C(=O)Nc2cc(F)ccc2[O-])cc1F ZINC000174884921 335168719 /nfs/dbraw/zinc/16/87/19/335168719.db2.gz PSVSABVYYIVZDJ-UHFFFAOYSA-N -1 3 263.243 3.231 20 0 CGADHM O=C(Nc1ccccc1[O-])c1cnc(-c2ccncc2)s1 ZINC000175084209 335173560 /nfs/dbraw/zinc/17/35/60/335173560.db2.gz PSEGWPKVRXILSI-UHFFFAOYSA-N -1 3 297.339 3.163 20 0 CGADHM O=C([N-]c1c(F)cc(F)cc1F)c1ccc(Cl)cn1 ZINC000175310999 335179578 /nfs/dbraw/zinc/17/95/78/335179578.db2.gz HZYHYWDGKAQBNV-UHFFFAOYSA-N -1 3 286.640 3.405 20 0 CGADHM COCC1(C)CCN([C@@H](C)c2cc(C)c(C(=O)[O-])o2)CC1 ZINC000576710116 335238655 /nfs/dbraw/zinc/23/86/55/335238655.db2.gz ATRBMMOETOKJFJ-LBPRGKRZSA-N -1 3 295.379 3.096 20 0 CGADHM C[C@H]1CCCCN(Cc2ccc(C(=O)[O-])cc2F)C1 ZINC000576950078 335268605 /nfs/dbraw/zinc/26/86/05/335268605.db2.gz CBVGQFIVNGHFRU-NSHDSACASA-N -1 3 265.328 3.146 20 0 CGADHM O=C(Nc1cc(Br)ccc1[O-])[C@@H]1CC=CCC1 ZINC000176432908 335276261 /nfs/dbraw/zinc/27/62/61/335276261.db2.gz AYEJUIPOYFJPRI-SECBINFHSA-N -1 3 296.164 3.450 20 0 CGADHM [O-]c1cccnc1CSc1ccc(F)c(F)c1 ZINC000577692508 335389278 /nfs/dbraw/zinc/38/92/78/335389278.db2.gz YBLWDZRYUADQKX-UHFFFAOYSA-N -1 3 253.273 3.358 20 0 CGADHM Cc1cc(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)ccn1 ZINC000577820856 335405851 /nfs/dbraw/zinc/40/58/51/335405851.db2.gz FUDYMHDNIATNQK-UHFFFAOYSA-N -1 3 296.248 3.367 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-]c2cccc(C)c2F)cc1 ZINC000180018883 335541503 /nfs/dbraw/zinc/54/15/03/335541503.db2.gz DSDMXEDGVBQZFL-UHFFFAOYSA-N -1 3 279.336 3.243 20 0 CGADHM CCC[C@H](CC)S(=O)(=O)[N-]c1cscc1C ZINC000578364968 335620768 /nfs/dbraw/zinc/62/07/68/335620768.db2.gz PGRBLHQTOMQTKD-JTQLQIEISA-N -1 3 261.412 3.377 20 0 CGADHM CN(C(=O)CCCc1ccc([O-])c(F)c1)C(C)(C)C ZINC000578752020 335670229 /nfs/dbraw/zinc/67/02/29/335670229.db2.gz BJFJETPJBNSVMD-UHFFFAOYSA-N -1 3 267.344 3.111 20 0 CGADHM Cc1cccc([O-])c1NC(=O)c1ccc(N(C)C)cc1F ZINC000183021809 335856779 /nfs/dbraw/zinc/85/67/79/335856779.db2.gz KPCHWEZHAYOTQL-UHFFFAOYSA-N -1 3 288.322 3.158 20 0 CGADHM Cc1cc([C@@H](C)N2CCCC(C)(C)C2)oc1C(=O)[O-] ZINC000581374879 336064150 /nfs/dbraw/zinc/06/41/50/336064150.db2.gz GHDQRMDRCGJPBU-LLVKDONJSA-N -1 3 265.353 3.469 20 0 CGADHM CCCN(Cc1cc(C(=O)[O-])co1)Cc1ccccc1 ZINC000383700477 336116811 /nfs/dbraw/zinc/11/68/11/336116811.db2.gz AWZKLENOKYDVKG-UHFFFAOYSA-N -1 3 273.332 3.390 20 0 CGADHM Cc1sc(C(=O)[O-])cc1CN1CCSCC[C@H]1C ZINC000385214171 336142288 /nfs/dbraw/zinc/14/22/88/336142288.db2.gz YKOUIYCGGLLSOD-SECBINFHSA-N -1 3 285.434 3.082 20 0 CGADHM Cc1ccc([O-])c(-c2nc(-c3cc(C)cc(C)n3)no2)c1 ZINC000385919074 336161275 /nfs/dbraw/zinc/16/12/75/336161275.db2.gz JWDNBMJJLDTPSN-UHFFFAOYSA-N -1 3 281.315 3.429 20 0 CGADHM C[C@H](CCC(C)(C)C)NC(=O)c1c([O-])cccc1O ZINC000386264458 336169371 /nfs/dbraw/zinc/16/93/71/336169371.db2.gz NLINACBFAWOAIQ-SNVBAGLBSA-N -1 3 265.353 3.042 20 0 CGADHM O=C([C@@H]1CC2CCC1CC2)N1CCCc2cccc([O-])c21 ZINC000386489987 336175707 /nfs/dbraw/zinc/17/57/07/336175707.db2.gz OCNIUIFUTROKJN-SSDMNJCBSA-N -1 3 285.387 3.498 20 0 CGADHM Cc1ccc(CC[C@H](C)NC(=O)c2cc(C)ccc2[O-])o1 ZINC000436592311 533825404 /nfs/dbraw/zinc/82/54/04/533825404.db2.gz TYLXDWNLTAHUJL-LBPRGKRZSA-N -1 3 287.359 3.353 20 0 CGADHM COc1cccc2c1CCCN2C(=O)c1cc(C)ccc1[O-] ZINC000436990353 533851204 /nfs/dbraw/zinc/85/12/04/533851204.db2.gz PDIIQNIVDBLEBN-UHFFFAOYSA-N -1 3 297.354 3.302 20 0 CGADHM COc1ccccc1C(C)(C)NC(=O)c1ccccc1[O-] ZINC000436781959 533982326 /nfs/dbraw/zinc/98/23/26/533982326.db2.gz WFOVHVNUIOMZRH-UHFFFAOYSA-N -1 3 285.343 3.066 20 0 CGADHM Cc1cc(-c2nc(-c3ccc([O-])c4ccccc34)no2)n[nH]1 ZINC000436619574 533998698 /nfs/dbraw/zinc/99/86/98/533998698.db2.gz RXWMQWGJIOZBCY-UHFFFAOYSA-N -1 3 292.298 3.294 20 0 CGADHM Cc1cc(=NC(=O)N(C)[C@@H]2CCC[C@@H]2C(C)(C)C)[n-]o1 ZINC000416736495 534021661 /nfs/dbraw/zinc/02/16/61/534021661.db2.gz SSXHIMJVGNIAMT-NWDGAFQWSA-N -1 3 279.384 3.083 20 0 CGADHM CS[C@H](C)CCC(=O)Nc1ccc(C)cc1[O-] ZINC000358487524 534042391 /nfs/dbraw/zinc/04/23/91/534042391.db2.gz YBDUZAGSOWOVAH-SNVBAGLBSA-N -1 3 253.367 3.171 20 0 CGADHM Cc1cc2cc(CNC(=O)c3ccccc3[O-])ccc2[nH]1 ZINC000436712223 534089959 /nfs/dbraw/zinc/08/99/59/534089959.db2.gz FGNMWAMCNICMLV-UHFFFAOYSA-N -1 3 280.327 3.112 20 0 CGADHM COc1ccc(NC(=O)[C@H]2CCCC[C@@H]2C)c([O-])c1 ZINC000424807137 534161875 /nfs/dbraw/zinc/16/18/75/534161875.db2.gz RTGLFAARHLEQHE-JQWIXIFHSA-N -1 3 263.337 3.166 20 0 CGADHM C[C@@H](COc1ccccc1)C(=O)Nc1ccc([O-])cc1F ZINC000358144743 534171568 /nfs/dbraw/zinc/17/15/68/534171568.db2.gz GDWNTJMVRWYURT-NSHDSACASA-N -1 3 289.306 3.185 20 0 CGADHM Cc1noc([N-]C(=O)[C@@H](C)Oc2ccc(C)cc2)c1C ZINC000359728735 534431787 /nfs/dbraw/zinc/43/17/87/534431787.db2.gz QHOYEEANYAYTLR-GFCCVEGCSA-N -1 3 274.320 3.006 20 0 CGADHM [O-]c1ccc(-c2noc(CN3CCc4ccccc43)n2)cc1 ZINC000436890622 534451221 /nfs/dbraw/zinc/45/12/21/534451221.db2.gz CJHMRFIBUKZUCI-UHFFFAOYSA-N -1 3 293.326 3.005 20 0 CGADHM [O-]c1ccc(-c2noc(CCc3cccs3)n2)cc1 ZINC000436767174 534451660 /nfs/dbraw/zinc/45/16/60/534451660.db2.gz FZRGQDWOIBOAGO-UHFFFAOYSA-N -1 3 272.329 3.289 20 0 CGADHM O=C([O-])[C@@H](NCc1cccc(F)c1)c1cccc(Cl)c1 ZINC000426730967 534516483 /nfs/dbraw/zinc/51/64/83/534516483.db2.gz NCPMGFBAJRGXLK-AWEZNQCLSA-N -1 3 293.725 3.395 20 0 CGADHM Cc1cccc(C(=O)N(CC(F)F)CC2CCC2)c1[O-] ZINC000436661624 534584272 /nfs/dbraw/zinc/58/42/72/534584272.db2.gz DLYMGQPZULYJGI-UHFFFAOYSA-N -1 3 283.318 3.208 20 0 CGADHM Cc1cccc(C(=O)NCCOC2CCCCCC2)c1[O-] ZINC000436823485 534604519 /nfs/dbraw/zinc/60/45/19/534604519.db2.gz BDDPDOBCAZIWJG-UHFFFAOYSA-N -1 3 291.391 3.170 20 0 CGADHM Cc1cccc(CN(C)C(=O)c2ccccc2[O-])c1C ZINC000436805665 534701901 /nfs/dbraw/zinc/70/19/01/534701901.db2.gz YWNFDEQCFAQPJF-UHFFFAOYSA-N -1 3 269.344 3.281 20 0 CGADHM CC[C@H]1C[C@@H](C(=O)Nc2cc(Cl)cc(C)c2[O-])CCO1 ZINC000183822388 523366566 /nfs/dbraw/zinc/36/65/66/523366566.db2.gz RICIZQCAYGWLIR-JQWIXIFHSA-N -1 3 297.782 3.498 20 0 CGADHM Cc1cnccc1SCc1noc(-c2ccccc2[O-])n1 ZINC000436710153 534714624 /nfs/dbraw/zinc/71/46/24/534714624.db2.gz ZFFYJCQPBGBVQU-UHFFFAOYSA-N -1 3 299.355 3.438 20 0 CGADHM CC[C@H](C)N(CC)Cc1ccc(C(=O)[O-])cc1F ZINC000062751443 523933956 /nfs/dbraw/zinc/93/39/56/523933956.db2.gz DRLPZCCLTPIMEJ-JTQLQIEISA-N -1 3 253.317 3.144 20 0 CGADHM C[C@H](N[C@@H](C)c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000049353671 525529524 /nfs/dbraw/zinc/52/95/24/525529524.db2.gz ADZQIRQLJZHPMV-BQBZGAKWSA-N -1 3 262.136 3.117 20 0 CGADHM CC(=O)c1cccc(NC(=O)[C@H]2CCCC2(C)C)c1[O-] ZINC000517375294 534892558 /nfs/dbraw/zinc/89/25/58/534892558.db2.gz UBECOGXTSTUDHE-GFCCVEGCSA-N -1 3 275.348 3.360 20 0 CGADHM CSc1ccc(CN[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000050509281 526007389 /nfs/dbraw/zinc/00/73/89/526007389.db2.gz FYUUPIKUWJWMAM-HNNXBMFYSA-N -1 3 287.384 3.324 20 0 CGADHM Cc1ccc(C(=O)N(C)C[C@H](C)c2nccs2)c([O-])c1 ZINC000184886290 526060459 /nfs/dbraw/zinc/06/04/59/526060459.db2.gz BTLODYNHICTQCM-NSHDSACASA-N -1 3 290.388 3.033 20 0 CGADHM C=Cc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000436479820 526279426 /nfs/dbraw/zinc/27/94/26/526279426.db2.gz SZEGHKFKRAQYJN-UHFFFAOYSA-N -1 3 273.357 3.439 20 0 CGADHM [O-]c1ccc(-c2noc([C@H]3CCOC3)n2)c2ccccc12 ZINC000293496414 526339245 /nfs/dbraw/zinc/33/92/45/526339245.db2.gz VMQDJMJWYXYJRG-JTQLQIEISA-N -1 3 282.299 3.099 20 0 CGADHM CC(C)(C)O[C@@H]1C[C@H](NC(=O)c2cccc([O-])c2)C1(C)C ZINC000414059661 526569849 /nfs/dbraw/zinc/56/98/49/526569849.db2.gz VEAFDBYFFQLETK-UONOGXRCSA-N -1 3 291.391 3.104 20 0 CGADHM CC(C)(C)[C@H](CC(=O)[O-])NCc1ccsc1Cl ZINC000426836006 526690125 /nfs/dbraw/zinc/69/01/25/526690125.db2.gz SKKSXUSGIYPSCJ-VIFPVBQESA-N -1 3 275.801 3.381 20 0 CGADHM CC(=O)c1c(C)oc2ncnc([N-]c3ncc(C)s3)c21 ZINC000178861167 527174793 /nfs/dbraw/zinc/17/47/93/527174793.db2.gz OJAOCHPMARZMMQ-UHFFFAOYSA-N -1 3 288.332 3.242 20 0 CGADHM CC(=O)c1ccc(C(=O)N[C@@H](C)C2CCCCC2)cc1[O-] ZINC000412137101 527259808 /nfs/dbraw/zinc/25/98/08/527259808.db2.gz WCARIVYFXIHZGE-NSHDSACASA-N -1 3 289.375 3.293 20 0 CGADHM CC(=O)c1ccc(C(=O)N[C@@H]2CCc3ccccc32)cc1[O-] ZINC000436870156 527263069 /nfs/dbraw/zinc/26/30/69/527263069.db2.gz PFQDYDQHHGBOSK-MRXNPFEDSA-N -1 3 295.338 3.012 20 0 CGADHM CC(=O)c1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1[O-] ZINC000436864834 527267134 /nfs/dbraw/zinc/26/71/34/527267134.db2.gz PRNBPYCTVAQMGX-UHFFFAOYSA-N -1 3 283.327 3.464 20 0 CGADHM O=[S@](Cc1ncc(-c2ccccc2)o1)c1ccc([O-])cc1 ZINC000108086721 527430778 /nfs/dbraw/zinc/43/07/78/527430778.db2.gz PUYLFXLYEWQEJH-NRFANRHFSA-N -1 3 299.351 3.355 20 0 CGADHM C/C(=C\c1ccccc1)CN(C)C(=O)c1c([O-])cccc1O ZINC000436824070 527531413 /nfs/dbraw/zinc/53/14/13/527531413.db2.gz YNLXULZHWBUMRK-ACCUITESSA-N -1 3 297.354 3.273 20 0 CGADHM O=C([O-])[C@@H](NCc1cc(F)cc(Cl)c1)c1ccccc1 ZINC000160925832 527654444 /nfs/dbraw/zinc/65/44/44/527654444.db2.gz FRRJLQFPCVJUSA-AWEZNQCLSA-N -1 3 293.725 3.395 20 0 CGADHM CC(C)(C)C[C@H](NCc1cccc(Cl)c1F)C(=O)[O-] ZINC000426777553 527702038 /nfs/dbraw/zinc/70/20/38/527702038.db2.gz OJRARRKMPKVBJQ-NSHDSACASA-N -1 3 287.762 3.458 20 0 CGADHM CC(C)[C@H]1CCC[C@@H](NC(=O)c2ccccc2[O-])C1 ZINC000436593801 527788312 /nfs/dbraw/zinc/78/83/12/527788312.db2.gz DSCWZCUJJXKTNH-QWHCGFSZSA-N -1 3 261.365 3.337 20 0 CGADHM CC(C)c1ccc(C(=O)NCCCC(C)(C)CO)c([O-])c1 ZINC000436584816 528068307 /nfs/dbraw/zinc/06/83/07/528068307.db2.gz ICDZFMQUPDZYCP-UHFFFAOYSA-N -1 3 293.407 3.044 20 0 CGADHM CC(C)c1ccc(C(=O)NCCc2cccc(O)c2)c([O-])c1 ZINC000436604248 528070443 /nfs/dbraw/zinc/07/04/43/528070443.db2.gz NSAWGNXCNZHPES-UHFFFAOYSA-N -1 3 299.370 3.194 20 0 CGADHM CC(C)c1ccc(C(=O)NC[C@H]2C[C@@H](C)O[C@@H]2C)c([O-])c1 ZINC000412693497 528072550 /nfs/dbraw/zinc/07/25/50/528072550.db2.gz TUYSZLIILAFNBX-YRGRVCCFSA-N -1 3 291.391 3.059 20 0 CGADHM CC(C)c1ccc(C(=O)N[C@@H](C)CC2CC2)c([O-])c1 ZINC000436971158 528074318 /nfs/dbraw/zinc/07/43/18/528074318.db2.gz HKZNDMVIBGYRGC-NSHDSACASA-N -1 3 261.365 3.434 20 0 CGADHM CCOc1cc(-c2noc(C[C@@H](C)CC)n2)ccc1[O-] ZINC000436876951 528189505 /nfs/dbraw/zinc/18/95/05/528189505.db2.gz LQIWZOLCYOWQNN-JTQLQIEISA-N -1 3 276.336 3.430 20 0 CGADHM CCC[C@H]1SCCN1C(=O)c1ccc(C)c(C)c1[O-] ZINC000436544134 528441652 /nfs/dbraw/zinc/44/16/52/528441652.db2.gz BLVQKGLPDIBRGO-CYBMUJFWSA-N -1 3 279.405 3.324 20 0 CGADHM CCCc1cc(=O)[n-]c(C(=Cc2cc(C)n(C)n2)CC)n1 ZINC000414077492 528613472 /nfs/dbraw/zinc/61/34/72/528613472.db2.gz PUYCAXYJZJAYRY-FMIVXFBMSA-N -1 3 286.379 3.127 20 0 CGADHM CCCCOc1ccc(C(=O)N2CC[C@](C)(F)C2)c([O-])c1 ZINC000436976065 528660914 /nfs/dbraw/zinc/66/09/14/528660914.db2.gz AJSNQRHDLIBHPQ-INIZCTEOSA-N -1 3 295.354 3.145 20 0 CGADHM CCCCOc1ccc(C(=O)N[C@@H]2CC[C@@H](F)C2)c([O-])c1 ZINC000436743981 528667285 /nfs/dbraw/zinc/66/72/85/528667285.db2.gz ILJNHCGWXGJGQO-VXGBXAGGSA-N -1 3 295.354 3.192 20 0 CGADHM CCCC[C@@H](C)N(C)C(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000412361265 528760508 /nfs/dbraw/zinc/76/05/08/528760508.db2.gz HOMPCOLRYQCNNC-LLVKDONJSA-N -1 3 277.364 3.246 20 0 CGADHM CCN(Cc1ccc(OC)cc1)C(=O)c1ccc([O-])c(C)c1 ZINC000436923855 528792091 /nfs/dbraw/zinc/79/20/91/528792091.db2.gz VCNPQUSOPHPMAW-UHFFFAOYSA-N -1 3 299.370 3.372 20 0 CGADHM CCC1(C(=O)Nc2cccc(-c3nnn[n-]3)c2)CCCCC1 ZINC000359163681 529013789 /nfs/dbraw/zinc/01/37/89/529013789.db2.gz WJKPUSUHFPKNLZ-UHFFFAOYSA-N -1 3 299.378 3.166 20 0 CGADHM CCC1(C(=O)Nc2cccc(-c3nn[n-]n3)c2)CCCCC1 ZINC000359163681 529013792 /nfs/dbraw/zinc/01/37/92/529013792.db2.gz WJKPUSUHFPKNLZ-UHFFFAOYSA-N -1 3 299.378 3.166 20 0 CGADHM CCN(C(=O)c1cc(C)ccc1[O-])c1ccc(OC)cc1 ZINC000436757866 529070503 /nfs/dbraw/zinc/07/05/03/529070503.db2.gz VPXYUVRCKONCHR-UHFFFAOYSA-N -1 3 285.343 3.376 20 0 CGADHM CCN(C(=O)c1ccccc1[O-])[C@H]1CCCC[C@@H]1C ZINC000436752058 529093383 /nfs/dbraw/zinc/09/33/83/529093383.db2.gz WTAYKWNSGNYGRS-JSGCOSHPSA-N -1 3 261.365 3.433 20 0 CGADHM CC(C)[C@@H](C)C(=O)Nc1nnc(-c2cc3ccccc3o2)[n-]1 ZINC000485113748 535143799 /nfs/dbraw/zinc/14/37/99/535143799.db2.gz OOKAWVJVEDBWSG-SNVBAGLBSA-N -1 3 298.346 3.449 20 0 CGADHM CC(C)[C@@H](C)C(=O)Nc1nc(-c2cc3ccccc3o2)n[n-]1 ZINC000485113748 535143803 /nfs/dbraw/zinc/14/38/03/535143803.db2.gz OOKAWVJVEDBWSG-SNVBAGLBSA-N -1 3 298.346 3.449 20 0 CGADHM CC(C)[C@@H](C)C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000485113748 535143810 /nfs/dbraw/zinc/14/38/10/535143810.db2.gz OOKAWVJVEDBWSG-SNVBAGLBSA-N -1 3 298.346 3.449 20 0 CGADHM CCc1cc(C(=O)N2CC[C@@H](C)C[C@@H](C)C2)ccc1[O-] ZINC000486912892 536111188 /nfs/dbraw/zinc/11/11/88/536111188.db2.gz KSSRHQLLFSTBLS-CHWSQXEVSA-N -1 3 275.392 3.463 20 0 CGADHM CCc1cc(C(=O)N[C@@H]2CCc3ccccc3C2)ccc1[O-] ZINC000485577416 536128093 /nfs/dbraw/zinc/12/80/93/536128093.db2.gz BKMVOPHAHVOTBL-QGZVFWFLSA-N -1 3 295.382 3.242 20 0 CGADHM CC[C@H]1CCC[C@H]1C(=O)Nc1ccc(OC)cc1[O-] ZINC000451025890 571717610 /nfs/dbraw/zinc/71/76/10/571717610.db2.gz LVACLCOSTFGXNT-CMPLNLGQSA-N -1 3 263.337 3.166 20 0 CGADHM Fc1ccc2c(c1)[C@@H](Nc1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000737667990 571743483 /nfs/dbraw/zinc/74/34/83/571743483.db2.gz UBJCFQXCNYEERL-HNNXBMFYSA-N -1 3 295.321 3.105 20 0 CGADHM Fc1ccc2c(c1)[C@@H](Nc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000737667990 571743487 /nfs/dbraw/zinc/74/34/87/571743487.db2.gz UBJCFQXCNYEERL-HNNXBMFYSA-N -1 3 295.321 3.105 20 0 CGADHM O=C([O-])N1CCC(CCNCc2ccccc2Cl)CC1 ZINC000740496943 571809215 /nfs/dbraw/zinc/80/92/15/571809215.db2.gz KDZLYYBHNVOOIG-UHFFFAOYSA-N -1 3 296.798 3.210 20 0 CGADHM CCCC=CC(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000729342006 571900150 /nfs/dbraw/zinc/90/01/50/571900150.db2.gz NSCUPBYLKROWDN-AATRIKPKSA-N -1 3 297.358 3.040 20 0 CGADHM CC(C)CCn1nccc1NC(=O)c1cc2occc2[n-]1 ZINC000750828672 572329296 /nfs/dbraw/zinc/32/92/96/572329296.db2.gz BBWWZTFXRRHDSN-UHFFFAOYSA-N -1 3 286.335 3.256 20 0 CGADHM CCc1ccc(CN[C@H](C(=O)[O-])c2ccc(OC)cc2)cc1 ZINC000737265890 572335409 /nfs/dbraw/zinc/33/54/09/572335409.db2.gz WNNANDHQCNIUFU-KRWDZBQOSA-N -1 3 299.370 3.173 20 0 CGADHM O=C(Nc1cccc2ccccc21)c1ccc2n[n-]nc2c1 ZINC000170224533 572336203 /nfs/dbraw/zinc/33/62/03/572336203.db2.gz PFNNWCTXRZZETH-UHFFFAOYSA-N -1 3 288.310 3.363 20 0 CGADHM Cc1ccc(CNc2c(Cl)cccc2-c2nnn[n-]2)cc1 ZINC000737342724 572338103 /nfs/dbraw/zinc/33/81/03/572338103.db2.gz ODTJWNVSCYEPMK-UHFFFAOYSA-N -1 3 299.765 3.441 20 0 CGADHM Cc1ccc(CNc2c(Cl)cccc2-c2nn[n-]n2)cc1 ZINC000737342724 572338107 /nfs/dbraw/zinc/33/81/07/572338107.db2.gz ODTJWNVSCYEPMK-UHFFFAOYSA-N -1 3 299.765 3.441 20 0 CGADHM CN(C)c1ccccc1CN(C)[C@H](C(=O)[O-])c1ccccc1 ZINC000737385750 572339634 /nfs/dbraw/zinc/33/96/34/572339634.db2.gz JKYGQHBRQWAJRG-KRWDZBQOSA-N -1 3 298.386 3.010 20 0 CGADHM Cc1cccc([O-])c1NC(=O)c1coc(C2CCC2)n1 ZINC000192844651 572358956 /nfs/dbraw/zinc/35/89/56/572358956.db2.gz DZDVCTVGTPTISV-UHFFFAOYSA-N -1 3 272.304 3.208 20 0 CGADHM Cn1cccc1[C@@H]1CCCN1Cc1ccc(C(=O)[O-])cc1 ZINC000739042582 572399595 /nfs/dbraw/zinc/39/95/95/572399595.db2.gz JTENEEACDQMNFL-INIZCTEOSA-N -1 3 284.359 3.060 20 0 CGADHM C[C@@H](c1cccc(Cl)c1)N1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000739178821 572403626 /nfs/dbraw/zinc/40/36/26/572403626.db2.gz SDZJAUUFHSEXSW-SUNKGSAMSA-N -1 3 296.798 3.379 20 0 CGADHM C[C@@H](NCc1ccc(CCNC(=O)[O-])cc1)c1ccccc1 ZINC000739030802 572410779 /nfs/dbraw/zinc/41/07/79/572410779.db2.gz FVKJVQORGBSWOV-CQSZACIVSA-N -1 3 298.386 3.348 20 0 CGADHM C[C@@H](NCC1CCN(C(=O)[O-])CC1)c1cc(F)ccc1F ZINC000739037682 572415392 /nfs/dbraw/zinc/41/53/92/572415392.db2.gz YBHLPPHCBFVQOT-SNVBAGLBSA-N -1 3 298.333 3.005 20 0 CGADHM O=C([O-])[C@H](NCc1cccc(Cl)c1)c1ccc(F)cc1 ZINC000739499989 572417276 /nfs/dbraw/zinc/41/72/76/572417276.db2.gz NEQCWUPCOFXHAN-CQSZACIVSA-N -1 3 293.725 3.395 20 0 CGADHM O=C([O-])c1occc1CN1CC[C@@H](c2cccc(F)c2)C1 ZINC000740281993 572438687 /nfs/dbraw/zinc/43/86/87/572438687.db2.gz PNVSZKJJZURERS-GFCCVEGCSA-N -1 3 289.306 3.106 20 0 CGADHM CC[C@H]1C[C@H](C)CN1Cn1[n-]c(C(C)(C)C)nc1=S ZINC000744439595 572451700 /nfs/dbraw/zinc/45/17/00/572451700.db2.gz AACVUFYMCVARQK-QWRGUYRKSA-N -1 3 282.457 3.316 20 0 CGADHM CCCC[C@H](CCC)OC(=O)c1cncc([O-])c1 ZINC000732395014 572462226 /nfs/dbraw/zinc/46/22/26/572462226.db2.gz ZLXDJLCWXQNMED-ZDUSSCGKSA-N -1 3 251.326 3.303 20 0 CGADHM Cc1oc(-c2ccccc2)nc1CO[N-]C(=O)C(C)(C)C ZINC000732805712 572484276 /nfs/dbraw/zinc/48/42/76/572484276.db2.gz HDCPNPKGQKIXIY-UHFFFAOYSA-N -1 3 288.347 3.244 20 0 CGADHM CC(C)(C)C(=O)[N-]OCc1cc(-c2ccc(F)cc2)no1 ZINC000732806256 572485301 /nfs/dbraw/zinc/48/53/01/572485301.db2.gz ZXCKNDNRTASVEQ-UHFFFAOYSA-N -1 3 292.310 3.075 20 0 CGADHM CC[C@@H](c1ccc(F)cc1)N1CCC[C@@H](CNC(=O)[O-])C1 ZINC000739278855 572540410 /nfs/dbraw/zinc/54/04/10/572540410.db2.gz OIWNTMJUKRXNDL-WFASDCNBSA-N -1 3 294.370 3.256 20 0 CGADHM CC(C)OCCCOC(=O)c1ccc(Cl)cc1[O-] ZINC000733382982 572562834 /nfs/dbraw/zinc/56/28/34/572562834.db2.gz AFHMHRMJTZNPAU-UHFFFAOYSA-N -1 3 272.728 3.018 20 0 CGADHM C[C@H](CC(=O)[N-]OCc1cccnc1)CC(C)(C)C ZINC000747174923 572574175 /nfs/dbraw/zinc/57/41/75/572574175.db2.gz UVMKUDIVJHIDTB-GFCCVEGCSA-N -1 3 264.369 3.092 20 0 CGADHM CSC(C)(C)CNC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000743820786 572685795 /nfs/dbraw/zinc/68/57/95/572685795.db2.gz HCXSBWBEGKZGBP-UHFFFAOYSA-N -1 3 293.432 3.142 20 0 CGADHM CSC(C)(C)CNC(=O)c1ccc(C(C)C)cc1[O-] ZINC000743820193 572686070 /nfs/dbraw/zinc/68/60/70/572686070.db2.gz DTJJXKSSERQGJH-UHFFFAOYSA-N -1 3 281.421 3.387 20 0 CGADHM C[C@@H](CCC(C)(C)C)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000735985085 572756750 /nfs/dbraw/zinc/75/67/50/572756750.db2.gz ITYXTFFGYMSHQW-NSHDSACASA-N -1 3 273.384 3.493 20 0 CGADHM C[C@@H](CCC(C)(C)C)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000735985085 572756753 /nfs/dbraw/zinc/75/67/53/572756753.db2.gz ITYXTFFGYMSHQW-NSHDSACASA-N -1 3 273.384 3.493 20 0 CGADHM C/C=C/CS[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736302895 572780830 /nfs/dbraw/zinc/78/08/30/572780830.db2.gz HYAOTEOWKUKVOV-HMDXOVGESA-N -1 3 260.366 3.237 20 0 CGADHM CCCCCSCc1ccccc1-c1nnn[n-]1 ZINC000736451327 572794404 /nfs/dbraw/zinc/79/44/04/572794404.db2.gz KJZALCDSRCTWDY-UHFFFAOYSA-N -1 3 262.382 3.290 20 0 CGADHM CCCCCSCc1ccccc1-c1nn[n-]n1 ZINC000736451327 572794406 /nfs/dbraw/zinc/79/44/06/572794406.db2.gz KJZALCDSRCTWDY-UHFFFAOYSA-N -1 3 262.382 3.290 20 0 CGADHM C[C@]1(NCc2ccc(C(=O)[O-])o2)CCCc2ccccc21 ZINC000736738177 572807130 /nfs/dbraw/zinc/80/71/30/572807130.db2.gz FPGRIIIHVHEBOQ-KRWDZBQOSA-N -1 3 285.343 3.319 20 0 CGADHM CN(c1cccc(F)c1-c1nnn[n-]1)C1CCCCCC1 ZINC000736842410 572820878 /nfs/dbraw/zinc/82/08/78/572820878.db2.gz QYDSOJWJOPNQMN-UHFFFAOYSA-N -1 3 289.358 3.165 20 0 CGADHM CN(c1cccc(F)c1-c1nn[n-]n1)C1CCCCCC1 ZINC000736842410 572820881 /nfs/dbraw/zinc/82/08/81/572820881.db2.gz QYDSOJWJOPNQMN-UHFFFAOYSA-N -1 3 289.358 3.165 20 0 CGADHM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C/C(Cl)=C\Cl ZINC000227492580 602033925 /nfs/dbraw/zinc/03/39/25/602033925.db2.gz IEYQPAQAHHLYCR-RZWNPSPWSA-N -1 3 278.179 3.023 20 0 CGADHM Cc1cc(C)cc(CN(C)Cc2ccc(C(=O)[O-])o2)c1 ZINC000724900550 599795569 /nfs/dbraw/zinc/79/55/69/599795569.db2.gz QPNJAUGTAXSGRG-UHFFFAOYSA-N -1 3 273.332 3.227 20 0 CGADHM C[C@@H](NC1CCC(C(=O)[O-])CC1)c1c(F)cccc1F ZINC000086735655 598113584 /nfs/dbraw/zinc/11/35/84/598113584.db2.gz ZYVHXOZVUFTSPB-KPPDAEKUSA-N -1 3 283.318 3.259 20 0 CGADHM O=C([O-])c1cccc(CN2CCC[C@@H]2c2ccc[nH]2)c1 ZINC000821552015 598210464 /nfs/dbraw/zinc/21/04/64/598210464.db2.gz LLJOLNJSUZCVQM-OAHLLOKOSA-N -1 3 270.332 3.050 20 0 CGADHM Clc1ccc(-c2nnn[n-]2)c(N2Cc3ccccc3C2)c1 ZINC000737570317 599432847 /nfs/dbraw/zinc/43/28/47/599432847.db2.gz DWNWZFUUXNMWLJ-UHFFFAOYSA-N -1 3 297.749 3.040 20 0 CGADHM Clc1ccc(-c2nn[n-]n2)c(N2Cc3ccccc3C2)c1 ZINC000737570317 599432849 /nfs/dbraw/zinc/43/28/49/599432849.db2.gz DWNWZFUUXNMWLJ-UHFFFAOYSA-N -1 3 297.749 3.040 20 0 CGADHM CC(C)(C)CCCNc1ccc(F)cc1-c1nnn[n-]1 ZINC000819914555 599565719 /nfs/dbraw/zinc/56/57/19/599565719.db2.gz WVAKZWVLAZIEKZ-UHFFFAOYSA-N -1 3 277.347 3.244 20 0 CGADHM CC(C)(C)CCCNc1ccc(F)cc1-c1nn[n-]n1 ZINC000819914555 599565721 /nfs/dbraw/zinc/56/57/21/599565721.db2.gz WVAKZWVLAZIEKZ-UHFFFAOYSA-N -1 3 277.347 3.244 20 0 CGADHM CC1(C)CN([C@H](C(=O)[O-])c2cccc(Cl)c2)CCS1 ZINC000828075033 601328439 /nfs/dbraw/zinc/32/84/39/601328439.db2.gz ZROJZCCZFCRLAR-LBPRGKRZSA-N -1 3 299.823 3.293 20 0 CGADHM c1coc(-c2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)c1 ZINC000826512496 607644874 /nfs/dbraw/zinc/64/48/74/607644874.db2.gz CSMSYYVPXNQSAE-UHFFFAOYSA-N -1 3 295.327 3.250 20 0 CGADHM c1coc(-c2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)c1 ZINC000826512496 607644875 /nfs/dbraw/zinc/64/48/75/607644875.db2.gz CSMSYYVPXNQSAE-UHFFFAOYSA-N -1 3 295.327 3.250 20 0 CGADHM Cc1[n-]n([C@@H](C)c2ccc(C(C)C)cc2)c(=O)c1F ZINC000899359699 620663480 /nfs/dbraw/zinc/66/34/80/620663480.db2.gz FLWFQVUROXOOAO-SMDDNHRTSA-N -1 3 262.328 3.427 20 0 CGADHM C[C@]1(NCc2csc(C3CC3)n2)CCCC[C@@H]1C(=O)[O-] ZINC000833569207 605061375 /nfs/dbraw/zinc/06/13/75/605061375.db2.gz KGSLODVMLSHVSC-DOMZBBRYSA-N -1 3 294.420 3.144 20 0 CGADHM O=C([O-])c1occc1CNCc1ccc2ccccc2c1 ZINC000833785330 605087361 /nfs/dbraw/zinc/08/73/61/605087361.db2.gz PRLOYQIMLPDURL-UHFFFAOYSA-N -1 3 281.311 3.421 20 0 CGADHM Cc1csc([C@H](C)N[C@@H](C)C[C@@H]2CCCN2C(=O)[O-])n1 ZINC000830655692 605498679 /nfs/dbraw/zinc/49/86/79/605498679.db2.gz VHODJWVSQPTUAA-DLOVCJGASA-N -1 3 297.424 3.023 20 0 CGADHM c1cc(-c2nnn[n-]2)sc1CNc1ccc2c(c1)CCC2 ZINC000823766729 606412326 /nfs/dbraw/zinc/41/23/26/606412326.db2.gz IUTRTAZFAFZKIO-UHFFFAOYSA-N -1 3 297.387 3.029 20 0 CGADHM CCC[C@@H]1C[C@H]1Nc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000821039511 606419776 /nfs/dbraw/zinc/41/97/76/606419776.db2.gz CWDUISNRGUPHGO-QMTHXVAHSA-N -1 3 294.362 3.015 20 0 CGADHM CCC[C@@H]1C[C@H]1Nc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000821039511 606419778 /nfs/dbraw/zinc/41/97/78/606419778.db2.gz CWDUISNRGUPHGO-QMTHXVAHSA-N -1 3 294.362 3.015 20 0 CGADHM Fc1cccc(Sc2cccc(F)c2-c2nnn[n-]2)c1 ZINC000822791877 606594313 /nfs/dbraw/zinc/59/43/13/606594313.db2.gz MDNPLANNAHXBCT-UHFFFAOYSA-N -1 3 290.298 3.296 20 0 CGADHM CC(C)N(Cc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000820120598 606669096 /nfs/dbraw/zinc/66/90/96/606669096.db2.gz FTMYNBBFZKLZHN-UHFFFAOYSA-N -1 3 293.374 3.282 20 0 CGADHM CC(C)N(Cc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000820120598 606669097 /nfs/dbraw/zinc/66/90/97/606669097.db2.gz FTMYNBBFZKLZHN-UHFFFAOYSA-N -1 3 293.374 3.282 20 0 CGADHM CC(C)[C@H]1CCN(c2ccc(Cl)cc2-c2nnn[n-]2)C1 ZINC000820047272 606725763 /nfs/dbraw/zinc/72/57/63/606725763.db2.gz WYYIXBSDPGPGQP-JTQLQIEISA-N -1 3 291.786 3.002 20 0 CGADHM CC(C)[C@H]1CCN(c2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC000820047272 606725764 /nfs/dbraw/zinc/72/57/64/606725764.db2.gz WYYIXBSDPGPGQP-JTQLQIEISA-N -1 3 291.786 3.002 20 0 CGADHM CC[C@H](C)CSCCOc1ccccc1-c1nnn[n-]1 ZINC000820868881 606795355 /nfs/dbraw/zinc/79/53/55/606795355.db2.gz BWKUEGZLGUGSHO-NSHDSACASA-N -1 3 292.408 3.025 20 0 CGADHM CC[C@H](C)CSCCOc1ccccc1-c1nn[n-]n1 ZINC000820868881 606795356 /nfs/dbraw/zinc/79/53/56/606795356.db2.gz BWKUEGZLGUGSHO-NSHDSACASA-N -1 3 292.408 3.025 20 0 CGADHM CC[C@@H](C)CSCc1cccc(-c2nnn[n-]2)c1 ZINC000820870776 606795987 /nfs/dbraw/zinc/79/59/87/606795987.db2.gz ZGRFXCOVAXIUAG-SNVBAGLBSA-N -1 3 262.382 3.146 20 0 CGADHM CC[C@@H](C)CSCc1cccc(-c2nn[n-]n2)c1 ZINC000820870776 606795988 /nfs/dbraw/zinc/79/59/88/606795988.db2.gz ZGRFXCOVAXIUAG-SNVBAGLBSA-N -1 3 262.382 3.146 20 0 CGADHM CC[C@H]1CC[C@H](C)N1c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825195666 608237323 /nfs/dbraw/zinc/23/73/23/608237323.db2.gz XTBWUXSKUDYNON-UWVGGRQHSA-N -1 3 291.786 3.287 20 0 CGADHM CC[C@H]1CC[C@H](C)N1c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825195666 608237324 /nfs/dbraw/zinc/23/73/24/608237324.db2.gz XTBWUXSKUDYNON-UWVGGRQHSA-N -1 3 291.786 3.287 20 0 CGADHM c1cc(-c2nnn[n-]2)c(N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)cn1 ZINC000826513007 608770075 /nfs/dbraw/zinc/77/00/75/608770075.db2.gz WVZNKOOUSNAGOO-YNEHKIRRSA-N -1 3 298.394 3.033 20 0 CGADHM c1cc(-c2nn[n-]n2)c(N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)cn1 ZINC000826513007 608770077 /nfs/dbraw/zinc/77/00/77/608770077.db2.gz WVZNKOOUSNAGOO-YNEHKIRRSA-N -1 3 298.394 3.033 20 0 CGADHM COc1ccccc1N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826220481 609156870 /nfs/dbraw/zinc/15/68/70/609156870.db2.gz PCNOTZDKTHRZIB-LLVKDONJSA-N -1 3 295.346 3.048 20 0 CGADHM COc1ccccc1N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826220481 609156874 /nfs/dbraw/zinc/15/68/74/609156874.db2.gz PCNOTZDKTHRZIB-LLVKDONJSA-N -1 3 295.346 3.048 20 0 CGADHM O=C(c1cc([O-])ccc1Cl)N(CC(F)F)C1CCC1 ZINC000899786162 620727515 /nfs/dbraw/zinc/72/75/15/620727515.db2.gz OHINRYODYYPRPH-UHFFFAOYSA-N -1 3 289.709 3.305 20 0 CGADHM Cc1cccc(C(=O)N2CC3(CC3)Oc3ccccc32)c1[O-] ZINC000890621340 617711349 /nfs/dbraw/zinc/71/13/49/617711349.db2.gz AJZFABJGXSCXAQ-UHFFFAOYSA-N -1 3 295.338 3.272 20 0 CGADHM O=C(/C=C\c1cccs1)Nc1cc(F)ccc1[O-] ZINC000255000816 617722188 /nfs/dbraw/zinc/72/21/88/617722188.db2.gz KLXGCVMWOPMLJI-XQRVVYSFSA-N -1 3 263.293 3.245 20 0 CGADHM O=c1cc(N2CCC(c3c[nH]c4ccccc43)CC2)nc[n-]1 ZINC000891657998 618244400 /nfs/dbraw/zinc/24/44/00/618244400.db2.gz RCIZYWONSQDSCF-UHFFFAOYSA-N -1 3 294.358 3.048 20 0 CGADHM CCOC1CC2(C[C@H]2C(=O)Nc2cc(Cl)ccc2[O-])C1 ZINC000866866151 618501337 /nfs/dbraw/zinc/50/13/37/618501337.db2.gz XYGTYIOLSZFTHV-VTWZXRTESA-N -1 3 295.766 3.189 20 0 CGADHM COCCN(Cc1ccc(C)o1)Cc1ccc([O-])c(F)c1 ZINC000892125476 618545042 /nfs/dbraw/zinc/54/50/42/618545042.db2.gz WPBDOCQNBUDHNA-UHFFFAOYSA-N -1 3 293.338 3.081 20 0 CGADHM O=C([O-])c1occc1CN[C@@H]1CCCc2ccccc21 ZINC000236476395 618857588 /nfs/dbraw/zinc/85/75/88/618857588.db2.gz VZLPGVQFLFZMLB-CQSZACIVSA-N -1 3 271.316 3.145 20 0 CGADHM O=C([N-]c1ccnc(F)c1F)c1cnc(CC2CC2)s1 ZINC000893075589 618989379 /nfs/dbraw/zinc/98/93/79/618989379.db2.gz XGTGTJONYGPUOD-UHFFFAOYSA-N -1 3 295.314 3.021 20 0 CGADHM C[C@H](NCc1cscn1)c1cc(Cl)ccc1[O-] ZINC000185246442 619059407 /nfs/dbraw/zinc/05/94/07/619059407.db2.gz RXWRAAUUEWABAQ-QMMMGPOBSA-N -1 3 268.769 3.353 20 0 CGADHM O=C(CCSc1ccccc1)[N-]OCCC(F)(F)F ZINC000162632768 619120600 /nfs/dbraw/zinc/12/06/00/619120600.db2.gz QINISZWZGDUCIW-UHFFFAOYSA-N -1 3 293.310 3.169 20 0 CGADHM CC(C)(C)SCCN1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000312897332 619156575 /nfs/dbraw/zinc/15/65/75/619156575.db2.gz RUGXNPXWUINHTA-AWEZNQCLSA-N -1 3 293.432 3.202 20 0 CGADHM Cc1cc(C(=O)COC(=O)c2ccc([O-])cc2)c(C)s1 ZINC000007745856 620255527 /nfs/dbraw/zinc/25/55/27/620255527.db2.gz AMGYJXQRDWERIL-UHFFFAOYSA-N -1 3 290.340 3.110 20 0 CGADHM C[C@@H]1C[C@H](C(=O)[O-])CN(Cc2cc(F)cc(Cl)c2)C1 ZINC000263099199 620291751 /nfs/dbraw/zinc/29/17/51/620291751.db2.gz WHNGDFZCARYQOV-KOLCDFICSA-N -1 3 285.746 3.022 20 0 CGADHM COc1ccc(CN2C[C@H](C(=O)[O-])CC[C@H]2C)cc1Cl ZINC000263487522 620322068 /nfs/dbraw/zinc/32/20/68/620322068.db2.gz HURFNWWCBZUUCS-ZYHUDNBSSA-N -1 3 297.782 3.034 20 0 CGADHM Cc1nc(C(C)C)ncc1C(=O)Nc1cccc([O-])c1F ZINC000901241761 620845353 /nfs/dbraw/zinc/84/53/53/620845353.db2.gz ACQNKBNSZYGGHG-UHFFFAOYSA-N -1 3 289.310 3.005 20 0 CGADHM C[C@@H](CC(F)(F)F)NCc1ccc(C(=O)[O-])c(Cl)c1 ZINC000901451251 620885319 /nfs/dbraw/zinc/88/53/19/620885319.db2.gz PRMASEBECOHFHN-ZETCQYMHSA-N -1 3 295.688 3.469 20 0 CGADHM CC[C@](NCc1ccccc1OC)(C(=O)[O-])c1ccccc1 ZINC000901653991 620968020 /nfs/dbraw/zinc/96/80/20/620968020.db2.gz WICCDAZCQMEZLP-GOSISDBHSA-N -1 3 299.370 3.175 20 0 CGADHM CC(=O)c1cc(F)ccc1[N-]S(=O)(=O)C1=CCCCC1 ZINC000901739330 621010281 /nfs/dbraw/zinc/01/02/81/621010281.db2.gz RRHJAOQCMVZDMZ-UHFFFAOYSA-N -1 3 297.351 3.228 20 0 CGADHM CC(F)(F)CCCO[N-]C(=O)CCCc1ccccc1 ZINC000902237931 621206542 /nfs/dbraw/zinc/20/65/42/621206542.db2.gz FPEIROPVIIPAIS-UHFFFAOYSA-N -1 3 285.334 3.493 20 0 CGADHM CCc1cnc(CN[C@H](C)CCCC(C)(C)C(=O)[O-])s1 ZINC000902341705 621254657 /nfs/dbraw/zinc/25/46/57/621254657.db2.gz YVPFAZKBXOFAQZ-LLVKDONJSA-N -1 3 298.452 3.465 20 0 CGADHM CN(CCc1cccs1)Cc1ccc(/C=C\C(=O)[O-])o1 ZINC000902323732 621261001 /nfs/dbraw/zinc/26/10/01/621261001.db2.gz GSTFUQHBLCNZLP-SREVYHEPSA-N -1 3 291.372 3.113 20 0 CGADHM CC(C)(C)C[C@@H]1C[C@H]1NCc1ccc(/C=C\C(=O)[O-])o1 ZINC000902463135 621337088 /nfs/dbraw/zinc/33/70/88/621337088.db2.gz MHPRTIMZFDZZAL-FJKGEAFKSA-N -1 3 277.364 3.292 20 0 CGADHM Cc1c2occ([O-])c2ccc1OC[C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000902776846 621435566 /nfs/dbraw/zinc/43/55/66/621435566.db2.gz QZNVLBPSWQBLQW-PJXYFTJBSA-N -1 3 290.359 3.153 20 0 CGADHM Cc1ccc(F)c(CN(C)[C@@H](CC(C)C)C(=O)[O-])c1F ZINC000903600141 621769455 /nfs/dbraw/zinc/76/94/55/621769455.db2.gz DHOKYEGRDRBGAA-ZDUSSCGKSA-N -1 3 285.334 3.204 20 0 CGADHM Cc1cc(CN2CCCC[C@H]2CCC(=O)[O-])cc(Cl)n1 ZINC000903697779 621791707 /nfs/dbraw/zinc/79/17/07/621791707.db2.gz KSGMTZWMULKIQA-ZDUSSCGKSA-N -1 3 296.798 3.263 20 0 CGADHM CC(C)CCCN1CCOc2cc(C(=O)[O-])ccc2C1 ZINC000903957187 621836185 /nfs/dbraw/zinc/83/61/85/621836185.db2.gz MZYSIYJASMDNQI-UHFFFAOYSA-N -1 3 277.364 3.015 20 0 CGADHM C[C@@H]1C[C@H](C)N(Cc2ccc(F)cc2F)[C@@H](C)[C@@H]1C(=O)[O-] ZINC000903951271 621841547 /nfs/dbraw/zinc/84/15/47/621841547.db2.gz SYYPZABXQTYPRG-DZHLUBAWSA-N -1 3 297.345 3.284 20 0 CGADHM CCc1ccccc1[C@@H](CC(=O)[O-])NCc1cncs1 ZINC000904032380 621856085 /nfs/dbraw/zinc/85/60/85/621856085.db2.gz MTDBNQLEWIPIBV-CQSZACIVSA-N -1 3 290.388 3.011 20 0 CGADHM Cc1ccc(-c2noc(Cc3ccc([O-])c(F)c3)n2)cc1 ZINC000904572082 621940195 /nfs/dbraw/zinc/94/01/95/621940195.db2.gz PALQIDMLCDFSPO-UHFFFAOYSA-N -1 3 284.290 3.481 20 0 CGADHM CC(=O)c1cccc(NC(=O)C2(C3CC3)CCC2)c1[O-] ZINC000908208861 622335178 /nfs/dbraw/zinc/33/51/78/622335178.db2.gz VSGODGUYMXLKAP-UHFFFAOYSA-N -1 3 273.332 3.114 20 0 CGADHM CCSc1ccccc1CC(=O)[N-]OC/C=C\Cl ZINC000908313091 622340696 /nfs/dbraw/zinc/34/06/96/622340696.db2.gz QGGQPHZHPFOMEM-YVMONPNESA-N -1 3 285.796 3.141 20 0 CGADHM Cc1[nH]nc(C(C)C)c1C(=O)Nc1cc([O-])c(F)cc1F ZINC000909985449 622441271 /nfs/dbraw/zinc/44/12/71/622441271.db2.gz ZJMIFADTTBOWHO-UHFFFAOYSA-N -1 3 295.289 3.078 20 0 CGADHM Cc1n[nH]c(C(C)C)c1C(=O)Nc1cc([O-])c(F)cc1F ZINC000909985449 622441273 /nfs/dbraw/zinc/44/12/73/622441273.db2.gz ZJMIFADTTBOWHO-UHFFFAOYSA-N -1 3 295.289 3.078 20 0 CGADHM CCc1csc([C@H](C)NC(=O)c2c(C)cccc2[O-])n1 ZINC000910714828 622503481 /nfs/dbraw/zinc/50/34/81/622503481.db2.gz IPVUBNUMPNXVPG-JTQLQIEISA-N -1 3 290.388 3.211 20 0 CGADHM O=C(c1cc([O-])ccc1Cl)N1CCC[C@H]1C(F)(F)F ZINC000913020124 622726989 /nfs/dbraw/zinc/72/69/89/622726989.db2.gz QAKQPBBDEMQYAA-JTQLQIEISA-N -1 3 293.672 3.213 20 0 CGADHM CSc1ccc([O-])c(C(=O)N2CC=CC23CCCC3)c1 ZINC000913205547 622745443 /nfs/dbraw/zinc/74/54/43/622745443.db2.gz BYAWSPXRQYEVPD-UHFFFAOYSA-N -1 3 289.400 3.439 20 0 CGADHM CC(/C=C1/C(=O)[N-]C(=O)c2ccccc21)=C/c1ccccc1 ZINC000060349777 623035585 /nfs/dbraw/zinc/03/55/85/623035585.db2.gz JLOXIDHNCMIOMA-RTNVFWHRSA-N -1 3 289.334 3.444 20 0 CGADHM Cc1cnc(CNCc2ccc([O-])c(Cl)c2)s1 ZINC000230687312 623265386 /nfs/dbraw/zinc/26/53/86/623265386.db2.gz ZXCUPCFMCAJICM-UHFFFAOYSA-N -1 3 268.769 3.100 20 0 CGADHM CC[C@]1(C(=O)[O-])CCCN(Cc2cccc(F)c2F)C1 ZINC000062877277 623272262 /nfs/dbraw/zinc/27/22/62/623272262.db2.gz LTBYUMNNXPLUPJ-HNNXBMFYSA-N -1 3 283.318 3.042 20 0 CGADHM Cc1ccc(OCCOc2ccc3c([O-])coc3c2)cc1 ZINC000915663122 624018074 /nfs/dbraw/zinc/01/80/74/624018074.db2.gz PXSWWIXTMLOMLV-UHFFFAOYSA-N -1 3 284.311 3.028 20 0 CGADHM Cc1ccc(-c2cc(C(=O)Oc3cccc(F)c3)n[n-]2)o1 ZINC000916852807 624220363 /nfs/dbraw/zinc/22/03/63/624220363.db2.gz PQMYDZGIZZGHMG-UHFFFAOYSA-N -1 3 286.262 3.336 20 0 CGADHM Cc1ccc(-c2cc(C(=O)Oc3cccc(F)c3)[n-]n2)o1 ZINC000916852807 624220364 /nfs/dbraw/zinc/22/03/64/624220364.db2.gz PQMYDZGIZZGHMG-UHFFFAOYSA-N -1 3 286.262 3.336 20 0 CGADHM CCCCC[C@@H](C)NC(=O)NCc1ccc([O-])c(F)c1 ZINC000155036191 624414460 /nfs/dbraw/zinc/41/44/60/624414460.db2.gz OONMPSIQWYYDAX-LLVKDONJSA-N -1 3 282.359 3.299 20 0 CGADHM CC[C@]1(C(=O)[O-])CCCN(Cc2ccc(C)nc2Cl)C1 ZINC000923470003 626155802 /nfs/dbraw/zinc/15/58/02/626155802.db2.gz MBHHFKQNQSZQMX-HNNXBMFYSA-N -1 3 296.798 3.120 20 0 CGADHM CCOC1CC2(C[C@@H]2C(=O)Nc2ccc(Cl)cc2[O-])C1 ZINC000867006132 626329811 /nfs/dbraw/zinc/32/98/11/626329811.db2.gz BGBIHVIJJDOPJD-LOIXOFCESA-N -1 3 295.766 3.189 20 0 CGADHM CC1(NC(=O)c2cc3sccc3c([O-])c2)CCC1 ZINC000788309964 626357435 /nfs/dbraw/zinc/35/74/35/626357435.db2.gz VNRRWOUBFQDXLZ-UHFFFAOYSA-N -1 3 261.346 3.279 20 0 CGADHM C[C@@H]1C[C@H](CC(=O)[N-]OCC(F)F)CC(C)(C)C1 ZINC000759324712 626887038 /nfs/dbraw/zinc/88/70/38/626887038.db2.gz PYZWBEMKKHVDBC-NXEZZACHSA-N -1 3 263.328 3.152 20 0 CGADHM C/C(=C/C(=O)[N-]OCC(F)F)c1ccccc1Cl ZINC000759338766 626888769 /nfs/dbraw/zinc/88/87/69/626888769.db2.gz KWOCAMYXUURQMW-VURMDHGXSA-N -1 3 275.682 3.056 20 0 CGADHM Cc1ccc(CC(=O)[N-]OCc2ccccc2)c(Cl)c1 ZINC000761836220 627065120 /nfs/dbraw/zinc/06/51/20/627065120.db2.gz PAOVYPUXKPWXBS-UHFFFAOYSA-N -1 3 289.762 3.439 20 0 CGADHM O=C(OC/C(Cl)=C/Cl)c1cc(-c2ccco2)[n-]n1 ZINC000763920198 627185010 /nfs/dbraw/zinc/18/50/10/627185010.db2.gz KIAGATKKNJOPCS-ALCCZGGFSA-N -1 3 287.102 3.146 20 0 CGADHM O=C(OC/C(Cl)=C/Cl)c1cc(-c2ccco2)n[n-]1 ZINC000763920198 627185011 /nfs/dbraw/zinc/18/50/11/627185011.db2.gz KIAGATKKNJOPCS-ALCCZGGFSA-N -1 3 287.102 3.146 20 0 CGADHM CC1(C)CCc2cc(C=Cc3nccc(=O)[n-]3)ccc2O1 ZINC000764443795 627207758 /nfs/dbraw/zinc/20/77/58/627207758.db2.gz XWZXANSOXWVBCM-GQCTYLIASA-N -1 3 282.343 3.456 20 0 CGADHM O=c1ccnc(C=Cc2ccc(F)cc2Br)[n-]1 ZINC000767729648 627433156 /nfs/dbraw/zinc/43/31/56/627433156.db2.gz NHRYSLZQROIEIZ-RQOWECAXSA-N -1 3 295.111 3.254 20 0 CGADHM CCC1(CC)CCCN1C(=O)Cc1ccc([O-])c(F)c1 ZINC000874630565 634577685 /nfs/dbraw/zinc/57/76/85/634577685.db2.gz WAKCCAJDXPHQKD-UHFFFAOYSA-N -1 3 279.355 3.255 20 0 CGADHM CC[C@@H](CC(=O)[N-]OC1CCOCC1)c1ccc(C)cc1 ZINC000772725269 627817741 /nfs/dbraw/zinc/81/77/41/627817741.db2.gz LSLBOVOUUNWMFU-AWEZNQCLSA-N -1 3 291.391 3.106 20 0 CGADHM CC(C)(C)OC(=O)c1cccc(C=Cc2nccc(=O)[n-]2)c1 ZINC000777917800 628311351 /nfs/dbraw/zinc/31/13/51/628311351.db2.gz FIEDMLNJLXMYHN-BQYQJAHWSA-N -1 3 298.342 3.308 20 0 CGADHM O=C(CCOc1ccccc1Cl)[N-]OC1CCCCC1 ZINC000777961846 628315333 /nfs/dbraw/zinc/31/53/33/628315333.db2.gz SECAMKJCYIYTBF-UHFFFAOYSA-N -1 3 297.782 3.489 20 0 CGADHM O=C(OCCCOc1ccccc1)c1cc2occc2[n-]1 ZINC000786027377 628908279 /nfs/dbraw/zinc/90/82/79/628908279.db2.gz CMOCXVVPYCNMPF-UHFFFAOYSA-N -1 3 285.299 3.387 20 0 CGADHM Cc1cccn2cc(COC(=O)c3cc4occc4[n-]3)nc12 ZINC000786031205 628909053 /nfs/dbraw/zinc/90/90/53/628909053.db2.gz JKLVAFBVQRONOQ-UHFFFAOYSA-N -1 3 295.298 3.074 20 0 CGADHM O=C(NCc1cccc(O)c1)c1cc2sccc2c([O-])c1 ZINC000788289246 629045346 /nfs/dbraw/zinc/04/53/46/629045346.db2.gz FUZYLPHKQLEFSK-UHFFFAOYSA-N -1 3 299.351 3.243 20 0 CGADHM O=C(Cc1ccc(Cl)c(F)c1)[N-]OCc1ccccc1 ZINC000790497909 629213798 /nfs/dbraw/zinc/21/37/98/629213798.db2.gz QKHYSBGKFOZTPY-UHFFFAOYSA-N -1 3 293.725 3.270 20 0 CGADHM O=C(Nc1cccc([O-])c1F)C(F)(F)Cc1ccccc1 ZINC000793747926 629499736 /nfs/dbraw/zinc/49/97/36/629499736.db2.gz ZJWXEHBEYBUJHK-UHFFFAOYSA-N -1 3 295.260 3.348 20 0 CGADHM CCCCC[C@H](C)CC(=O)Nc1cnc(C(=O)OCC)[n-]1 ZINC000793957274 629509075 /nfs/dbraw/zinc/50/90/75/629509075.db2.gz ARMCSPWDNLJOLS-NSHDSACASA-N -1 3 295.383 3.131 20 0 CGADHM CCCCC[C@H](C)CC(=O)Nc1c[n-]c(C(=O)OCC)n1 ZINC000793957274 629509079 /nfs/dbraw/zinc/50/90/79/629509079.db2.gz ARMCSPWDNLJOLS-NSHDSACASA-N -1 3 295.383 3.131 20 0 CGADHM CSCCO[N-]C(=O)CCc1ccc(CC(C)C)cc1 ZINC000794192397 629520846 /nfs/dbraw/zinc/52/08/46/629520846.db2.gz NQEBHXCZNQYEON-UHFFFAOYSA-N -1 3 295.448 3.229 20 0 CGADHM O=C(c1cc([O-])c2ccccc2c1)N1CCC(F)(F)CC1 ZINC000794296002 629531075 /nfs/dbraw/zinc/53/10/75/629531075.db2.gz MDKWYRJLHCUUCO-UHFFFAOYSA-N -1 3 291.297 3.417 20 0 CGADHM CCOc1ccccc1CCC(=O)[N-]OC[C@@H](C)CC ZINC000794844262 629586776 /nfs/dbraw/zinc/58/67/76/629586776.db2.gz XEIQFQLMYDPPFW-ZDUSSCGKSA-N -1 3 279.380 3.112 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)CCSc1ccccc1 ZINC000794843430 629587158 /nfs/dbraw/zinc/58/71/58/629587158.db2.gz QMOZRUCQSQTQKC-LBPRGKRZSA-N -1 3 267.394 3.263 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)Cc1c[nH]c2cc(C)ccc12 ZINC000794853181 629588480 /nfs/dbraw/zinc/58/84/80/629588480.db2.gz MJPHDKFSXZNNMD-LLVKDONJSA-N -1 3 274.364 3.113 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)/C=C\c1nc2ccccc2s1 ZINC000794855321 629589136 /nfs/dbraw/zinc/58/91/36/629589136.db2.gz ZPHTXAFUKJNBKD-IQQGHNRFSA-N -1 3 290.388 3.403 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)C[C@@H]1CCOc2ccccc21 ZINC000794871641 629592161 /nfs/dbraw/zinc/59/21/61/629592161.db2.gz RHJJVVPRPIDLAY-STQMWFEESA-N -1 3 277.364 3.037 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)C[C@H](C)C(=O)c1cccc(F)c1 ZINC000794868826 629592232 /nfs/dbraw/zinc/59/22/32/629592232.db2.gz FROYEBRPWWTEKL-NEPJUHHUSA-N -1 3 295.354 3.129 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)Cc1cccc(C(F)(F)F)c1 ZINC000794873280 629593382 /nfs/dbraw/zinc/59/33/82/629593382.db2.gz ZLSRAXIAJJKJDW-JTQLQIEISA-N -1 3 289.297 3.342 20 0 CGADHM Cc1ccc(C=Cc2nccc(=O)[n-]2)c(-c2cnn(C)c2)c1 ZINC000802705455 630404609 /nfs/dbraw/zinc/40/46/09/630404609.db2.gz HMLDYBYWAANFHL-WAYWQWQTSA-N -1 3 292.342 3.062 20 0 CGADHM O=C([N-]OC/C=C/Cl)C12CC3CC(CC(C3)C1)C2 ZINC000812396598 631243017 /nfs/dbraw/zinc/24/30/17/631243017.db2.gz APGSUWYJJIIHAQ-OWOJBTEDSA-N -1 3 269.772 3.003 20 0 CGADHM O=C(Cc1csc2ccccc12)[N-]OC/C=C\Cl ZINC000812399089 631244289 /nfs/dbraw/zinc/24/42/89/631244289.db2.gz HOBMGLKCTFKENY-UTCJRWHESA-N -1 3 281.764 3.244 20 0 CGADHM O=C(CCCc1cc(F)ccc1F)[N-]OC/C=C/Cl ZINC000812398677 631245043 /nfs/dbraw/zinc/24/50/43/631245043.db2.gz AGYWTMIGOVDXRQ-FARCUNLSSA-N -1 3 289.709 3.088 20 0 CGADHM CC1(C)CCCC[C@H]1CC(=O)[N-]OC/C=C/Cl ZINC000812409242 631248475 /nfs/dbraw/zinc/24/84/75/631248475.db2.gz WUHCAGMHLIMDKL-BWNDKRECSA-N -1 3 259.777 3.393 20 0 CGADHM CC[C@H](CC(=O)[N-]OC1CCC1)c1ccc(OC)cc1 ZINC000812788874 631309499 /nfs/dbraw/zinc/30/94/99/631309499.db2.gz DNUVIEICLMIUKC-GFCCVEGCSA-N -1 3 277.364 3.179 20 0 CGADHM COc1ccc(CCCCCC(=O)[N-]OC2CCC2)cc1 ZINC000812795841 631313816 /nfs/dbraw/zinc/31/38/16/631313816.db2.gz LBHYIEKZBUSOBI-UHFFFAOYSA-N -1 3 291.391 3.398 20 0 CGADHM CC[C@H](CC(=O)[N-]OCCOC(C)C)c1ccccc1 ZINC000812806039 631316892 /nfs/dbraw/zinc/31/68/92/631316892.db2.gz LJQCBOZTYFFBEI-CQSZACIVSA-N -1 3 279.380 3.043 20 0 CGADHM CC[C@@H](CC(=O)[N-]OCCOC(C)C)c1ccccc1 ZINC000812806038 631317270 /nfs/dbraw/zinc/31/72/70/631317270.db2.gz LJQCBOZTYFFBEI-AWEZNQCLSA-N -1 3 279.380 3.043 20 0 CGADHM O=C(Nc1ccc([O-])cc1F)c1ccc2c(c1)CCCC2=O ZINC000816006156 631855888 /nfs/dbraw/zinc/85/58/88/631855888.db2.gz OKEIGOKLEPQZFM-UHFFFAOYSA-N -1 3 299.301 3.303 20 0 CGADHM CC(C)(CC(=O)[N-]OCC1CC1)C1CCCCC1 ZINC000817334207 632125642 /nfs/dbraw/zinc/12/56/42/632125642.db2.gz FQMDBOZDOQDPHY-UHFFFAOYSA-N -1 3 253.386 3.441 20 0 CGADHM O=C(NOCC1CC1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000817339524 632127698 /nfs/dbraw/zinc/12/76/98/632127698.db2.gz MMOUGQWEZKDDSH-UHFFFAOYSA-N -1 3 299.326 3.256 20 0 CGADHM C[C@H]1C[C@@H](CC(=O)[N-]OCC2CC2)CC(C)(C)C1 ZINC000817362245 632131811 /nfs/dbraw/zinc/13/18/11/632131811.db2.gz JSDROKXJEJEWHZ-AAEUAGOBSA-N -1 3 253.386 3.297 20 0 CGADHM CC(C)(CC(=O)[N-]OCCC1CC1)c1ccccc1 ZINC000817383088 632134441 /nfs/dbraw/zinc/13/44/41/632134441.db2.gz DATVDLOIKIGRNR-UHFFFAOYSA-N -1 3 261.365 3.202 20 0 CGADHM COc1ccccc1[C@H](C)CC(=O)[N-]OCCC1CC1 ZINC000817413434 632144132 /nfs/dbraw/zinc/14/41/32/632144132.db2.gz SXCAPHZYPSUJID-GFCCVEGCSA-N -1 3 277.364 3.037 20 0 CGADHM O=C(CCc1cccc(Cl)c1)[N-]OCCC1CC1 ZINC000817420845 632147492 /nfs/dbraw/zinc/14/74/92/632147492.db2.gz CEPGKJBQPSTWAT-UHFFFAOYSA-N -1 3 267.756 3.121 20 0 CGADHM Cc1ccc([C@@H](NC(=O)c2ccc(N)cc2[O-])C2CC2)cc1 ZINC000817910839 632233886 /nfs/dbraw/zinc/23/38/86/632233886.db2.gz LEUFHXDNKZAWQG-QGZVFWFLSA-N -1 3 296.370 3.164 20 0 CGADHM Cc1ccc([C@@H]2CCCN2C(=O)c2ccc(N)cc2[O-])cc1 ZINC000817913383 632234019 /nfs/dbraw/zinc/23/40/19/632234019.db2.gz ZHWMERHGBRFPON-INIZCTEOSA-N -1 3 296.370 3.260 20 0 CGADHM CCC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(N)cc1[O-] ZINC000817933585 632236521 /nfs/dbraw/zinc/23/65/21/632236521.db2.gz LCNJYQFYBCDOJX-RISCZKNCSA-N -1 3 276.380 3.063 20 0 CGADHM C[C@H]1CCc2ccccc2[C@@H]1NC(=O)c1ccc(N)cc1[O-] ZINC000817997311 632276364 /nfs/dbraw/zinc/27/63/64/632276364.db2.gz NLFJDZKWWZNOSH-APPDUMDISA-N -1 3 296.370 3.028 20 0 CGADHM CCCO[N-]C(=O)CCC[C@H](C)c1cccc(OC)c1 ZINC000844087279 635818588 /nfs/dbraw/zinc/81/85/88/635818588.db2.gz KHSHFHARLFSEDG-ZDUSSCGKSA-N -1 3 279.380 3.427 20 0 CGADHM C[C@@H]1CN(C(=O)Cc2ccc([O-])c(F)c2)Cc2ccccc21 ZINC000822219949 632887215 /nfs/dbraw/zinc/88/72/15/632887215.db2.gz XTLMUOOSGBLQSY-GFCCVEGCSA-N -1 3 299.345 3.220 20 0 CGADHM CC(C)O[N-]C(=O)CCc1ccccc1C(F)(F)F ZINC000868659495 633349171 /nfs/dbraw/zinc/34/91/71/633349171.db2.gz XWFVLKDHIILTSY-UHFFFAOYSA-N -1 3 275.270 3.094 20 0 CGADHM CC[C@H](C)CCC(=O)[N-]OCCCC(F)(F)F ZINC000871216173 633730337 /nfs/dbraw/zinc/73/03/37/633730337.db2.gz SHXXBYCIYBIFAE-VIFPVBQESA-N -1 3 255.280 3.203 20 0 CGADHM C[C@H](CC(=O)[N-]OCCCC(F)(F)F)c1ccco1 ZINC000871216893 633731465 /nfs/dbraw/zinc/73/14/65/633731465.db2.gz DCUKYEPXIIYBFH-SECBINFHSA-N -1 3 279.258 3.164 20 0 CGADHM CCCCn1c(SCSC(C)(C)C)n[n-]c1=O ZINC000871638435 633809285 /nfs/dbraw/zinc/80/92/85/633809285.db2.gz CKXSMYUGHSKCRZ-UHFFFAOYSA-N -1 3 275.443 3.365 20 0 CGADHM C[C@H](NCc1ncc(Cl)s1)c1cccc([O-])c1F ZINC000872112942 634038126 /nfs/dbraw/zinc/03/81/26/634038126.db2.gz LXVWQAIDXPTDLZ-ZETCQYMHSA-N -1 3 286.759 3.492 20 0 CGADHM O=C([N-]C[C@H]1CCC[C@@H]1c1ccccc1)C(F)(F)F ZINC000833599774 634123076 /nfs/dbraw/zinc/12/30/76/634123076.db2.gz SPBRLNQLIJEVGQ-VXGBXAGGSA-N -1 3 271.282 3.249 20 0 CGADHM C[C@@H]1C[C@@H](NC(=O)c2cc([O-])ccc2Cl)CCS1 ZINC000834651326 634208124 /nfs/dbraw/zinc/20/81/24/634208124.db2.gz VVZBMNQNBKHCTJ-BDAKNGLRSA-N -1 3 285.796 3.060 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)N1CCCCCCCC1 ZINC000836926506 634831924 /nfs/dbraw/zinc/83/19/24/634831924.db2.gz QYVBGSWOXTXHCJ-UHFFFAOYSA-N -1 3 279.355 3.257 20 0 CGADHM O=C(CCC1CCCC1)OCc1cc(=O)[n-]c(C2CC2)n1 ZINC000837337880 634890439 /nfs/dbraw/zinc/89/04/39/634890439.db2.gz BOESVQCGRXOBQV-UHFFFAOYSA-N -1 3 290.363 3.073 20 0 CGADHM O=C(CCCc1ccccc1)[N-]OCC1CC(F)(F)C1 ZINC000842028976 635260455 /nfs/dbraw/zinc/26/04/55/635260455.db2.gz XESBSTZPFGOLKZ-UHFFFAOYSA-N -1 3 283.318 3.102 20 0 CGADHM CC(C)(C)CC(=O)[N-]OCc1cnc2ccccc2c1 ZINC000842061751 635271706 /nfs/dbraw/zinc/27/17/06/635271706.db2.gz PXURFNOVSSADSR-UHFFFAOYSA-N -1 3 272.348 3.219 20 0 CGADHM CC[C@@H](COC(=O)c1cc2cc(Cl)sc2[n-]1)OC ZINC000842101634 635287098 /nfs/dbraw/zinc/28/70/98/635287098.db2.gz UYIYRPIQFKUNCW-QMMMGPOBSA-N -1 3 287.768 3.465 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])c1cnc(CC2CC2)s1 ZINC000879083929 635697936 /nfs/dbraw/zinc/69/79/36/635697936.db2.gz SBBCSTXTAQCMLX-UHFFFAOYSA-N -1 3 292.335 3.193 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)CC(C)(C)CC(F)F ZINC000880090576 635911028 /nfs/dbraw/zinc/91/10/28/635911028.db2.gz MCZFULXGTLADOK-SECBINFHSA-N -1 3 251.317 3.152 20 0 CGADHM O=c1cc(CNc2ncc(Cl)s2)nc(C2CCC2)[n-]1 ZINC000882685280 636382344 /nfs/dbraw/zinc/38/23/44/636382344.db2.gz JCRAXELHTARMMK-UHFFFAOYSA-N -1 3 296.783 3.172 20 0 CGADHM O=C(CCCc1c(F)cccc1F)[N-]OC1CCCC1 ZINC000847663504 636415872 /nfs/dbraw/zinc/41/58/72/636415872.db2.gz XPDKDOLLTKTUOK-UHFFFAOYSA-N -1 3 283.318 3.278 20 0 CGADHM Cc1ccc(CN2Cc3ccccc3[C@@H](C(=O)[O-])C2)s1 ZINC000087616253 636795483 /nfs/dbraw/zinc/79/54/83/636795483.db2.gz IFUIDLYTKUWGRN-HNNXBMFYSA-N -1 3 287.384 3.241 20 0 CGADHM CC(C)COCCOC(=O)CCCc1ccc([O-])c(F)c1 ZINC000800213580 636959533 /nfs/dbraw/zinc/95/95/33/636959533.db2.gz RYAXVILQOYXYQP-UHFFFAOYSA-N -1 3 298.354 3.070 20 0 CGADHM O=C(CCOc1cccc(Cl)c1)[N-]OC1CCCC1 ZINC000135129152 637089833 /nfs/dbraw/zinc/08/98/33/637089833.db2.gz BNNQYTNZZSCJSL-UHFFFAOYSA-N -1 3 283.755 3.099 20 0 CGADHM CCc1[n-]n([C@H]2CC(C)(C)OC2(C)C)c(=O)c1C(C)C ZINC000887297213 637791202 /nfs/dbraw/zinc/79/12/02/637791202.db2.gz WSKYWLMEGIQELC-QWHCGFSZSA-N -1 3 280.412 3.213 20 0 CGADHM O=C(Cc1cccc2ccccc21)[N-]OCC1CC=CC1 ZINC000853669383 637887939 /nfs/dbraw/zinc/88/79/39/637887939.db2.gz PDQJINRFMQTDMY-UHFFFAOYSA-N -1 3 281.355 3.396 20 0 CGADHM O=C(/C=C/c1ccco1)Nc1ccc(Cl)cc1[O-] ZINC000006333920 638240457 /nfs/dbraw/zinc/24/04/57/638240457.db2.gz GDZTWJIVLYHSEF-GQCTYLIASA-N -1 3 263.680 3.291 20 0 CGADHM C[C@@H]1CCC[C@@H](CNC(=O)c2cc([O-])c3ccccc3c2)O1 ZINC000855797067 638251566 /nfs/dbraw/zinc/25/15/66/638251566.db2.gz LQTAIETYOVLKHP-DOMZBBRYSA-N -1 3 299.370 3.233 20 0 CGADHM CCC1(C(=O)[N-]OCC2CCC2)CCC(F)(F)CC1 ZINC000856342323 638344808 /nfs/dbraw/zinc/34/48/08/638344808.db2.gz QLLWAXZGURHZCW-UHFFFAOYSA-N -1 3 275.339 3.440 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2nn(CC)cc2Cl)c1 ZINC000924795312 638406241 /nfs/dbraw/zinc/40/62/41/638406241.db2.gz WEWJWKSCWRUYBL-UHFFFAOYSA-N -1 3 293.754 3.077 20 0 CGADHM CC[C@H](C)N(OC)C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000857155728 638463851 /nfs/dbraw/zinc/46/38/51/638463851.db2.gz FHVHASZFHCDFCY-QMMMGPOBSA-N -1 3 291.269 3.213 20 0 CGADHM CC1CC(CNC(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000857408390 638504847 /nfs/dbraw/zinc/50/48/47/638504847.db2.gz VUAIVNCCFBSZDZ-UHFFFAOYSA-N -1 3 269.344 3.321 20 0 CGADHM O=C(OC/C=C/Cl)c1cc(Cl)c(Cl)[n-]1 ZINC000928966011 638896368 /nfs/dbraw/zinc/89/63/68/638896368.db2.gz CFEMNUHWSWEGCE-OWOJBTEDSA-N -1 3 254.500 3.231 20 0 CGADHM CC[C@@H](c1ccc(F)cc1)N1Cc2nc(C)[n-]c(=O)c2C1 ZINC000931318324 639134633 /nfs/dbraw/zinc/13/46/33/639134633.db2.gz MOZIITJPCBVSOS-HNNXBMFYSA-N -1 3 287.338 3.097 20 0 CGADHM O=C1N[C@H](c2ccc([O-])c(F)c2)Nc2cc(Cl)ccc21 ZINC000159032140 640027986 /nfs/dbraw/zinc/02/79/86/640027986.db2.gz QLLCHCLXLHIKDY-CYBMUJFWSA-N -1 3 292.697 3.039 20 0 CGADHM [O-]c1ccc(Cl)cc1/C=N/CCCOC(F)F ZINC000193235164 640444099 /nfs/dbraw/zinc/44/40/99/640444099.db2.gz NMGABWRPYCGSGI-VIZOYTHASA-N -1 3 263.671 3.094 20 0 CGADHM Cc1nc(C)c(CN[C@H](CC(=O)[O-])c2cccs2)s1 ZINC000088867888 640627739 /nfs/dbraw/zinc/62/77/39/640627739.db2.gz SBRYHWWREQPXEC-SNVBAGLBSA-N -1 3 296.417 3.127 20 0 CGADHM CCOc1cc(C=Cc2n[nH]cc2C=O)cc(Cl)c1[O-] ZINC000098125579 640898714 /nfs/dbraw/zinc/89/87/14/640898714.db2.gz XVZIDUOOFQYMEN-ONEGZZNKSA-N -1 3 292.722 3.150 20 0 CGADHM O=c1[nH]cccc1-c1nc2cc(F)cc(C(F)(F)F)c2[n-]1 ZINC001250523929 805674249 /nfs/dbraw/zinc/67/42/49/805674249.db2.gz LHLUKOWQHCQNLO-UHFFFAOYSA-N -1 3 297.211 3.488 20 0 CGADHM Fc1cccnc1-c1nc2c([n-]1)c(F)c(F)c(F)c2F ZINC001250526310 805675366 /nfs/dbraw/zinc/67/53/66/805675366.db2.gz WCWACGYKBUKUGK-UHFFFAOYSA-N -1 3 285.175 3.320 20 0 CGADHM COc1cc2[nH]c(-c3c([O-])cccc3F)nc2cc1F ZINC001250674851 805755347 /nfs/dbraw/zinc/75/53/47/805755347.db2.gz XYDDPGNJRKVSKG-UHFFFAOYSA-N -1 3 276.242 3.222 20 0 CGADHM COc1cc2nc(-c3c([O-])cccc3F)[nH]c2cc1F ZINC001250674851 805755353 /nfs/dbraw/zinc/75/53/53/805755353.db2.gz XYDDPGNJRKVSKG-UHFFFAOYSA-N -1 3 276.242 3.222 20 0 CGADHM COCOc1ccc2[nH]c(-c3cc(F)ccc3[O-])nc2c1 ZINC001250838307 805786626 /nfs/dbraw/zinc/78/66/26/805786626.db2.gz ZKTNCBIKNOUSDH-UHFFFAOYSA-N -1 3 288.278 3.057 20 0 CGADHM COc1cc2nc(-c3cccc([O-])c3F)[nH]c2cc1C ZINC001251255565 805872618 /nfs/dbraw/zinc/87/26/18/805872618.db2.gz OZGHDLDLFRWEQQ-UHFFFAOYSA-N -1 3 272.279 3.392 20 0 CGADHM COc1cc2[nH]c(-c3c(F)ccc([O-])c3F)nc2cc1F ZINC001251335952 805884495 /nfs/dbraw/zinc/88/44/95/805884495.db2.gz VUFYSQBTZROERC-UHFFFAOYSA-N -1 3 294.232 3.361 20 0 CGADHM COc1cc2nc(-c3c(F)ccc([O-])c3F)[nH]c2cc1F ZINC001251335952 805884505 /nfs/dbraw/zinc/88/45/05/805884505.db2.gz VUFYSQBTZROERC-UHFFFAOYSA-N -1 3 294.232 3.361 20 0 CGADHM Cc1nc(C)c(-c2nc3c([n-]2)c(F)c(F)c(F)c3F)o1 ZINC001251457251 805898639 /nfs/dbraw/zinc/89/86/39/805898639.db2.gz YQHMSFGIMRVMQP-UHFFFAOYSA-N -1 3 285.200 3.391 20 0 CGADHM O=c1cc[nH]cc1-c1nc2c(cc(Cl)cc2Cl)[n-]1 ZINC001251666113 805919383 /nfs/dbraw/zinc/91/93/83/805919383.db2.gz CKVROJNPKAGSME-UHFFFAOYSA-N -1 3 280.114 3.225 20 0 CGADHM [O-]c1ccccc1-c1nnc(Cc2ccc(F)cc2)o1 ZINC001251883822 805948545 /nfs/dbraw/zinc/94/85/45/805948545.db2.gz XKPLZROYSDXILK-UHFFFAOYSA-N -1 3 270.263 3.172 20 0 CGADHM CC(=O)c1cccc(NC(=O)C(C)=Cc2cccnc2)c1[O-] ZINC001160320890 806257153 /nfs/dbraw/zinc/25/71/53/806257153.db2.gz FGHHCEZKHIVHNY-LUAWRHEFSA-N -1 3 296.326 3.032 20 0 CGADHM CCCS(=O)(=O)[N-]c1ccccc1-c1ccc(C)o1 ZINC001253705208 806280858 /nfs/dbraw/zinc/28/08/58/806280858.db2.gz NJTRHCZTCNQGOQ-UHFFFAOYSA-N -1 3 279.361 3.407 20 0 CGADHM CCC1(NC(F)(F)c2cc(Cl)nc(=S)[n-]2)CCC1 ZINC001161561905 806390193 /nfs/dbraw/zinc/39/01/93/806390193.db2.gz VJDLFILLVHSIBO-UHFFFAOYSA-N -1 3 293.770 3.390 20 0 CGADHM FC(F)(N[C@@H]1CC=CCC1)c1cc(Cl)nc(=S)[n-]1 ZINC001161754564 806444343 /nfs/dbraw/zinc/44/43/43/806444343.db2.gz PUMHSMVWLLDNIM-SSDOTTSWSA-N -1 3 291.754 3.166 20 0 CGADHM CCc1nnc(-c2cc([O-])cc(C(F)(F)F)c2)o1 ZINC001255138174 806551780 /nfs/dbraw/zinc/55/17/80/806551780.db2.gz NAMUYTLWMAZFTC-UHFFFAOYSA-N -1 3 258.199 3.023 20 0 CGADHM C[C@H](CC(=O)[N-]OC(C)(C)C)c1ccccc1F ZINC000125997817 799004986 /nfs/dbraw/zinc/00/49/86/799004986.db2.gz LKILJDJWIJYYLD-SNVBAGLBSA-N -1 3 253.317 3.166 20 0 CGADHM C[C@H]1CCCN(Cc2cc(F)c([O-])c(F)c2)[C@H]1C ZINC000252107348 799166266 /nfs/dbraw/zinc/16/62/66/799166266.db2.gz HFOBVBKPYYWVPL-UWVGGRQHSA-N -1 3 255.308 3.291 20 0 CGADHM CN(Cc1cccc([O-])c1Br)CC(F)(F)F ZINC000315855434 799238775 /nfs/dbraw/zinc/23/87/75/799238775.db2.gz LTOJDJBRXFYLFH-UHFFFAOYSA-N -1 3 298.102 3.149 20 0 CGADHM Cc1ccc(-c2nnc(Cc3ccccc3F)o2)c([O-])c1 ZINC001255768784 806741477 /nfs/dbraw/zinc/74/14/77/806741477.db2.gz OSVUTYUZZXGXJR-UHFFFAOYSA-N -1 3 284.290 3.481 20 0 CGADHM Cc1cccc(-c2noc(-c3cncc([O-])c3)n2)c1C ZINC000405091514 799581737 /nfs/dbraw/zinc/58/17/37/799581737.db2.gz UDBVPJKRGSSFOK-UHFFFAOYSA-N -1 3 267.288 3.121 20 0 CGADHM O=C(NCC=C(Cl)Cl)c1cc([O-])ccc1Cl ZINC000407133022 799589719 /nfs/dbraw/zinc/58/97/19/799589719.db2.gz WMGHELAYNICKTO-UHFFFAOYSA-N -1 3 280.538 3.094 20 0 CGADHM C[C@@H](c1noc(-c2cc3c(cc2[O-])OCO3)n1)C(C)(C)C ZINC000436932856 799612547 /nfs/dbraw/zinc/61/25/47/799612547.db2.gz QZESGUAQAMOFIC-QMMMGPOBSA-N -1 3 290.319 3.321 20 0 CGADHM C[C@H]1CC[C@H](NC(=O)c2cc([O-])cc(Br)c2)C1 ZINC000700839676 799882165 /nfs/dbraw/zinc/88/21/65/799882165.db2.gz RBJNUBDVNZNBRA-KWQFWETISA-N -1 3 298.180 3.073 20 0 CGADHM Cc1cccc([O-])c1C(=O)NC[C@H]1CCC[C@@H](C)C1 ZINC000706627836 799964183 /nfs/dbraw/zinc/96/41/83/799964183.db2.gz AGBZDINDCXSNGL-YPMHNXCESA-N -1 3 261.365 3.257 20 0 CGADHM O=c1cc(-c2nnc(-c3ccc4ccccc4c3)o2)nc[n-]1 ZINC001255982674 806803875 /nfs/dbraw/zinc/80/38/75/806803875.db2.gz FZMFATJKGYPUDM-UHFFFAOYSA-N -1 3 290.282 3.052 20 0 CGADHM CCCCCc1nnc(Cc2ccc([O-])c(F)c2)o1 ZINC001256063786 806807799 /nfs/dbraw/zinc/80/77/99/806807799.db2.gz GGABOGIOUJNIAF-UHFFFAOYSA-N -1 3 264.300 3.238 20 0 CGADHM CSCC1CCN(C(=O)c2cc([O-])ccc2Cl)CC1 ZINC000719314608 800236830 /nfs/dbraw/zinc/23/68/30/800236830.db2.gz XHKOZNDEDUMUIU-UHFFFAOYSA-N -1 3 299.823 3.261 20 0 CGADHM Cc1cc(C)cc(CNc2cc(F)cc(-c3nnn[n-]3)c2)c1 ZINC001163753152 806818106 /nfs/dbraw/zinc/81/81/06/806818106.db2.gz NKHWNYPELUQBGA-UHFFFAOYSA-N -1 3 297.337 3.235 20 0 CGADHM Cc1cc(C)cc(CNc2cc(F)cc(-c3nn[n-]n3)c2)c1 ZINC001163753152 806818112 /nfs/dbraw/zinc/81/81/12/806818112.db2.gz NKHWNYPELUQBGA-UHFFFAOYSA-N -1 3 297.337 3.235 20 0 CGADHM Cc1ccc(C(=O)N(Cc2ccoc2)C2CC2)c([O-])c1 ZINC000723729700 800337622 /nfs/dbraw/zinc/33/76/22/800337622.db2.gz QMCUFMHYMJGYGP-UHFFFAOYSA-N -1 3 271.316 3.098 20 0 CGADHM CCc1cc(C)cc(CC)c1NCCCc1c[n-][nH]c1=O ZINC001164384224 806944069 /nfs/dbraw/zinc/94/40/69/806944069.db2.gz ZKXBIKNOEJFZCP-HNNXBMFYSA-N -1 3 287.407 3.044 20 0 CGADHM C[C@@H]1CCN(C(=O)c2ccc(N)cc2[O-])[C@H]1c1ccccc1 ZINC001119382794 802656901 /nfs/dbraw/zinc/65/69/01/802656901.db2.gz DKMRDKXKWGAITE-SJKOYZFVSA-N -1 3 296.370 3.198 20 0 CGADHM O=C(OC[C@H]1CCC2(CCC2)O1)c1cc2occc2[n-]1 ZINC001119412029 802662690 /nfs/dbraw/zinc/66/26/90/802662690.db2.gz BBGFXUQZOPPTIB-SNVBAGLBSA-N -1 3 275.304 3.019 20 0 CGADHM CC(C)Oc1ccc(-c2nnc(-c3cncc([O-])c3)o2)cc1 ZINC001256902747 807005441 /nfs/dbraw/zinc/00/54/41/807005441.db2.gz FVACARUKEZKWAF-UHFFFAOYSA-N -1 3 297.314 3.291 20 0 CGADHM O=C1CSc2ncc(-c3c([O-])cccc3Cl)cc2N1 ZINC001244044144 803158096 /nfs/dbraw/zinc/15/80/96/803158096.db2.gz IZGFBDMYQHEBQI-UHFFFAOYSA-N -1 3 292.747 3.152 20 0 CGADHM Cc1cc(C(=O)N(C)C)ncc1-c1c([O-])cccc1Cl ZINC001244046228 803158968 /nfs/dbraw/zinc/15/89/68/803158968.db2.gz DFUVNPDLTXQFFC-UHFFFAOYSA-N -1 3 290.750 3.118 20 0 CGADHM Cc1ncc(C2CC2)cc1-c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001244145080 803207052 /nfs/dbraw/zinc/20/70/52/803207052.db2.gz SDUPBNJRMBSHOV-UHFFFAOYSA-N -1 3 295.321 3.254 20 0 CGADHM Cc1ncc(C2CC2)cc1-c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001244145080 803207055 /nfs/dbraw/zinc/20/70/55/803207055.db2.gz SDUPBNJRMBSHOV-UHFFFAOYSA-N -1 3 295.321 3.254 20 0 CGADHM Cc1cc(-c2cc(-c3cccnc3)ncn2)cc([O-])c1F ZINC001244505665 803410243 /nfs/dbraw/zinc/41/02/43/803410243.db2.gz BNHKPGDNMLHLJA-UHFFFAOYSA-N -1 3 281.290 3.359 20 0 CGADHM Cc1cn2cc(-c3cc(C)c(F)c([O-])c3)ccc2n1 ZINC001244514729 803413557 /nfs/dbraw/zinc/41/35/57/803413557.db2.gz AKJPDUDRJIHYFS-UHFFFAOYSA-N -1 3 256.280 3.463 20 0 CGADHM Cc1cc(-c2ccc3c(c2)NC(=O)[C@H](C)O3)cc([O-])c1F ZINC001244516553 803414217 /nfs/dbraw/zinc/41/42/17/803414217.db2.gz XUYDUARMAIERHZ-VIFPVBQESA-N -1 3 287.290 3.226 20 0 CGADHM Cc1cc(-c2cc3cc[nH]c3c(C(N)=O)c2)cc([O-])c1F ZINC001244524823 803417198 /nfs/dbraw/zinc/41/71/98/803417198.db2.gz HHIMIBFAKQRGOJ-UHFFFAOYSA-N -1 3 284.290 3.087 20 0 CGADHM COc1nc(OC)c(-c2cc(C)c(F)c([O-])c2)cc1C ZINC001244525007 803417203 /nfs/dbraw/zinc/41/72/03/803417203.db2.gz KGZQBYRDPFBCOJ-UHFFFAOYSA-N -1 3 277.295 3.227 20 0 CGADHM Cc1cc(-c2ccc3c(c2C)NC(=O)CO3)cc([O-])c1F ZINC001244531419 803422844 /nfs/dbraw/zinc/42/28/44/803422844.db2.gz ZMLXGAJLPJJKOC-UHFFFAOYSA-N -1 3 287.290 3.146 20 0 CGADHM Cc1cc(-c2cnc3c(c2)CCC(=O)N3)cc(Cl)c1[O-] ZINC001244538711 803426929 /nfs/dbraw/zinc/42/69/29/803426929.db2.gz WHSCPVJPQCTLTE-UHFFFAOYSA-N -1 3 288.734 3.301 20 0 CGADHM Cc1cc(-c2ccn3ncnc3c2)cc(Cl)c1[O-] ZINC001244538647 803427302 /nfs/dbraw/zinc/42/73/02/803427302.db2.gz VLILESRRZWWXHP-UHFFFAOYSA-N -1 3 259.696 3.064 20 0 CGADHM Cc1cc(-c2cc(N(C)C)ccn2)cc(C)c1C(=O)[O-] ZINC001244945093 803585975 /nfs/dbraw/zinc/58/59/75/803585975.db2.gz BCZVGGPUYWSJOB-UHFFFAOYSA-N -1 3 270.332 3.130 20 0 CGADHM O=c1cnc(-c2cc(Cl)ccc2[O-])cn1CC1CCC1 ZINC001245052123 803623700 /nfs/dbraw/zinc/62/37/00/803623700.db2.gz BJSVQFFKFCCHCS-UHFFFAOYSA-N -1 3 290.750 3.069 20 0 CGADHM [O-]c1ccc(-c2ccnc(N3CCCCC3)n2)c(Cl)c1 ZINC001245078882 803635079 /nfs/dbraw/zinc/63/50/79/803635079.db2.gz LWVPOHYFZMQKBQ-UHFFFAOYSA-N -1 3 289.766 3.493 20 0 CGADHM [O-]c1ccc(-c2cnc(OCC3CC3)cn2)c(Cl)c1 ZINC001245084302 803637872 /nfs/dbraw/zinc/63/78/72/803637872.db2.gz XNCCKHSGFQNHOZ-UHFFFAOYSA-N -1 3 276.723 3.291 20 0 CGADHM O=c1cnc(-c2ccc([O-])cc2Cl)cn1CC1CCC1 ZINC001245084269 803638119 /nfs/dbraw/zinc/63/81/19/803638119.db2.gz VYBLCDZIGBDHJJ-UHFFFAOYSA-N -1 3 290.750 3.069 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)Nc1ccc(F)c(F)c1F ZINC001136344960 803640696 /nfs/dbraw/zinc/64/06/96/803640696.db2.gz CCSKSVZAGLIBHF-UHFFFAOYSA-N -1 3 299.223 3.130 20 0 CGADHM S=c1ccc(-c2ccnc(OCC3CCC3)c2)n[n-]1 ZINC001245238817 803674555 /nfs/dbraw/zinc/67/45/55/803674555.db2.gz LRNAXCVZNBKMRW-UHFFFAOYSA-N -1 3 273.361 3.006 20 0 CGADHM [O-]c1c(Cl)cccc1Nc1cnc(N2CCCC2)nc1 ZINC001211931219 814957877 /nfs/dbraw/zinc/95/78/77/814957877.db2.gz NGGHGXVHILPTGC-UHFFFAOYSA-N -1 3 290.754 3.179 20 0 CGADHM CCOc1cc(-c2ccc3c(c2)[N-]C(=S)C3)ccn1 ZINC001245268808 803686944 /nfs/dbraw/zinc/68/69/44/803686944.db2.gz CAEPACIABHKNOH-UHFFFAOYSA-N -1 3 270.357 3.443 20 0 CGADHM [O-]c1ccc(Nc2cccc3nsnc32)c(F)c1F ZINC001212007560 814965862 /nfs/dbraw/zinc/96/58/62/814965862.db2.gz NERJMLUUFYOSJL-UHFFFAOYSA-N -1 3 279.271 3.419 20 0 CGADHM CCc1ccc(C(=O)N[C@H]2CC(=O)c3ccccc32)c([O-])c1 ZINC001137870379 803790196 /nfs/dbraw/zinc/79/01/96/803790196.db2.gz QFOHMTUFYRLZPP-HNNXBMFYSA-N -1 3 295.338 3.012 20 0 CGADHM NC(=O)c1ccc(Nc2ccc([O-])c(F)c2F)cc1Cl ZINC001212010955 814966756 /nfs/dbraw/zinc/96/67/56/814966756.db2.gz JRDHBDRVZFIGLG-UHFFFAOYSA-N -1 3 298.676 3.166 20 0 CGADHM [O-]c1ccc(Nc2ccc(OC3COC3)cc2)c(F)c1F ZINC001212011132 814966850 /nfs/dbraw/zinc/96/68/50/814966850.db2.gz UIKGFHZFTIJJPH-UHFFFAOYSA-N -1 3 293.269 3.192 20 0 CGADHM CN1CCc2cc(Nc3ccc([O-])c(F)c3F)ccc21 ZINC001212016258 814968189 /nfs/dbraw/zinc/96/81/89/814968189.db2.gz GYCXWYNMPWFFCN-UHFFFAOYSA-N -1 3 276.286 3.406 20 0 CGADHM Nc1cc2nn(-c3ccc([O-])c(F)c3F)cc2cc1Cl ZINC001212016246 814968252 /nfs/dbraw/zinc/96/82/52/814968252.db2.gz GIGRLWYUEQVIPR-UHFFFAOYSA-N -1 3 295.676 3.245 20 0 CGADHM Fc1ccc(-c2nnn[n-]2)cc1-c1cccc2ccoc21 ZINC001245617098 803857948 /nfs/dbraw/zinc/85/79/48/803857948.db2.gz NUEQRKSOEQCTGX-UHFFFAOYSA-N -1 3 280.262 3.419 20 0 CGADHM Fc1ccc(-c2nn[n-]n2)cc1-c1cccc2ccoc21 ZINC001245617098 803857958 /nfs/dbraw/zinc/85/79/58/803857958.db2.gz NUEQRKSOEQCTGX-UHFFFAOYSA-N -1 3 280.262 3.419 20 0 CGADHM COC(=O)c1cc(-c2c([O-])cccc2F)cc2cc[nH]c21 ZINC001245655880 803889200 /nfs/dbraw/zinc/88/92/00/803889200.db2.gz KFTMFIFSRRBEBF-UHFFFAOYSA-N -1 3 285.274 3.466 20 0 CGADHM CC(C)S(=O)(=O)c1ccc(-c2c([O-])cccc2F)cc1 ZINC001245656425 803889574 /nfs/dbraw/zinc/88/95/74/803889574.db2.gz VKKSNUFZAAWWKG-UHFFFAOYSA-N -1 3 294.347 3.380 20 0 CGADHM O=c1ccc2ccc(-c3c([O-])cccc3F)cc2o1 ZINC001245657085 803890725 /nfs/dbraw/zinc/89/07/25/803890725.db2.gz QLNPDHQSABHCNZ-UHFFFAOYSA-N -1 3 256.232 3.305 20 0 CGADHM [O-]c1cccc(F)c1-c1cncc(OC(F)(F)F)c1 ZINC001245657252 803892167 /nfs/dbraw/zinc/89/21/67/803892167.db2.gz ZOEVSYSGJJOWNI-UHFFFAOYSA-N -1 3 273.185 3.492 20 0 CGADHM Cn1c(=O)cc(-c2c([O-])cccc2F)c2ccccc21 ZINC001245658014 803892309 /nfs/dbraw/zinc/89/23/09/803892309.db2.gz WWVSUQBHYIJAFA-UHFFFAOYSA-N -1 3 269.275 3.050 20 0 CGADHM CCCc1ccc(C(=O)Nc2nc(C)ccc2[O-])cc1 ZINC001139457863 804190192 /nfs/dbraw/zinc/19/01/92/804190192.db2.gz ZXIKMRRSLSLEQL-UHFFFAOYSA-N -1 3 270.332 3.300 20 0 CGADHM Nc1ncccc1Nc1cc(Cl)c([O-])cc1Cl ZINC001212402210 815019590 /nfs/dbraw/zinc/01/95/90/815019590.db2.gz VTAHVPYMOUENQU-UHFFFAOYSA-N -1 3 270.119 3.420 20 0 CGADHM C[C@@H]1CCCN(Cc2ccc([O-])c(F)c2F)[C@H]1C ZINC001140892776 804541629 /nfs/dbraw/zinc/54/16/29/804541629.db2.gz ADIWVGOKHWWSAZ-ZJUUUORDSA-N -1 3 255.308 3.291 20 0 CGADHM CC[C@@H]1CCCN(Cc2ccc([O-])c(F)c2F)C1 ZINC001140893099 804541847 /nfs/dbraw/zinc/54/18/47/804541847.db2.gz HJAIYUUIMUARSK-SNVBAGLBSA-N -1 3 255.308 3.292 20 0 CGADHM [O-]c1c(F)cc(CN2CCCCC23CC3)cc1F ZINC001140990818 804563744 /nfs/dbraw/zinc/56/37/44/804563744.db2.gz SANZTIKFGWYRBA-UHFFFAOYSA-N -1 3 253.292 3.189 20 0 CGADHM CC[C@H](C)CC[N-]S(=O)(=O)c1cc(C)c(Cl)s1 ZINC001212435238 815028182 /nfs/dbraw/zinc/02/81/82/815028182.db2.gz HHSBGAIICDCIGU-QMMMGPOBSA-N -1 3 295.857 3.424 20 0 CGADHM [O-]c1cc(F)c(CN2CCC[C@H]3CCC[C@@H]32)c(F)c1 ZINC001144559117 805004467 /nfs/dbraw/zinc/00/44/67/805004467.db2.gz IYUZJDVFXKQUHJ-BMIGLBTASA-N -1 3 267.319 3.435 20 0 CGADHM [O-]c1cc(F)c(CN2CCC3(CCC3)C2)c(F)c1 ZINC001144558975 805005563 /nfs/dbraw/zinc/00/55/63/805005563.db2.gz HRIKUTGZPXDPNA-UHFFFAOYSA-N -1 3 253.292 3.046 20 0 CGADHM [O-]c1cc(F)c(CN2CCC3(CCCC3)C2)cc1F ZINC001144666784 805030994 /nfs/dbraw/zinc/03/09/94/805030994.db2.gz PXDQESBFUXYDQC-UHFFFAOYSA-N -1 3 267.319 3.437 20 0 CGADHM Cc1ccc(C(=O)Nc2cncc3c2CCCC3)c([O-])c1 ZINC001147248063 805117275 /nfs/dbraw/zinc/11/72/75/805117275.db2.gz DWWHTORJQYOTLV-UHFFFAOYSA-N -1 3 282.343 3.227 20 0 CGADHM CCCC[C@@H](COC)NC(=O)c1ccc(C(C)C)cc1[O-] ZINC001147243969 805117723 /nfs/dbraw/zinc/11/77/23/805117723.db2.gz QZVFHSMFMFJRST-AWEZNQCLSA-N -1 3 293.407 3.451 20 0 CGADHM Cc1cc2c(ncnc2NC(=O)c2ccc(C)cc2[O-])s1 ZINC001148493777 805189407 /nfs/dbraw/zinc/18/94/07/805189407.db2.gz WMHLBHMVNRNRSM-UHFFFAOYSA-N -1 3 299.355 3.266 20 0 CGADHM Cc1ccc(C(=O)Nc2ccc3c(ccn3C)c2)c([O-])c1 ZINC001148499848 805191658 /nfs/dbraw/zinc/19/16/58/805191658.db2.gz FBKWGLLIZUAISY-UHFFFAOYSA-N -1 3 280.327 3.445 20 0 CGADHM CC[C@@H](C)C[C@H](C)NC(=O)c1ccc([O-])c(C(C)=O)c1 ZINC001148669238 805204233 /nfs/dbraw/zinc/20/42/33/805204233.db2.gz RVBZOKDRPVVTJK-MNOVXSKESA-N -1 3 277.364 3.149 20 0 CGADHM O=C([O-])c1c(F)ccc(CN2CC3CCC(CC3)C2)c1F ZINC001249779622 805241673 /nfs/dbraw/zinc/24/16/73/805241673.db2.gz BQJWOEWDOTUBBR-UHFFFAOYSA-N -1 3 295.329 3.285 20 0 CGADHM COc1ccc(N(C)C(=O)c2c(C)cccc2[O-])cc1F ZINC001150046329 805252316 /nfs/dbraw/zinc/25/23/16/805252316.db2.gz QCEOHPHAPIRQFN-UHFFFAOYSA-N -1 3 289.306 3.125 20 0 CGADHM Cc1cc2cc(C(=O)Nc3nc(C)ccc3[O-])ccc2o1 ZINC001150737879 805265497 /nfs/dbraw/zinc/26/54/97/805265497.db2.gz HOAFPIDXJWCZHC-UHFFFAOYSA-N -1 3 282.299 3.403 20 0 CGADHM [O-]c1cc(Cl)cnc1Nc1c(O)cccc1F ZINC001249988992 805347209 /nfs/dbraw/zinc/34/72/09/805347209.db2.gz QKBIQWLLAAMVGX-UHFFFAOYSA-N -1 3 254.648 3.029 20 0 CGADHM [O-]c1cc(Br)cnc1Nc1c(O)cccc1F ZINC001249988655 805347266 /nfs/dbraw/zinc/34/72/66/805347266.db2.gz BIGJJPPQKNCOAT-UHFFFAOYSA-N -1 3 299.099 3.138 20 0 CGADHM Cc1ccc(Nc2ccc3nncn3c2)c(Cl)c1[O-] ZINC001250009145 805363771 /nfs/dbraw/zinc/36/37/71/805363771.db2.gz CJKUCBPBUAFTNN-UHFFFAOYSA-N -1 3 274.711 3.140 20 0 CGADHM CC(C)(C)n1cc(Nc2cc(=O)n(-c3ccccc3)[n-]2)cn1 ZINC001212568573 815072222 /nfs/dbraw/zinc/07/22/22/815072222.db2.gz JHPBZEKYPNZAKO-UHFFFAOYSA-N -1 3 297.362 3.273 20 0 CGADHM Cc1nc(Cl)ccc1Nc1cc(=O)[n-]c(C2CC2)n1 ZINC001250150554 805444744 /nfs/dbraw/zinc/44/47/44/805444744.db2.gz MDLQTRNMCFFKBX-UHFFFAOYSA-N -1 3 276.727 3.160 20 0 CGADHM COc1nc(Cl)cc(Nc2ccc(Cl)c([O-])c2)n1 ZINC001212587975 815077025 /nfs/dbraw/zinc/07/70/25/815077025.db2.gz CTFROWJYLPCFNJ-UHFFFAOYSA-N -1 3 286.118 3.241 20 0 CGADHM Cc1ccc2ncc([O-])c(C(=O)N(C)C(C)(C)C)c2c1 ZINC001154530508 805462451 /nfs/dbraw/zinc/46/24/51/805462451.db2.gz LSALIPROQFTQFS-UHFFFAOYSA-N -1 3 272.348 3.119 20 0 CGADHM O=c1[nH]c2ccccc2n1CCCc1cccc([O-])c1F ZINC001250179603 805466441 /nfs/dbraw/zinc/46/64/41/805466441.db2.gz HHFFRVCUDQPPST-UHFFFAOYSA-N -1 3 286.306 3.219 20 0 CGADHM COc1nc(OC)c(Nc2cc([O-])c(F)cc2F)cc1C ZINC001250186586 805473847 /nfs/dbraw/zinc/47/38/47/805473847.db2.gz NVANFSWLONBMSA-UHFFFAOYSA-N -1 3 296.273 3.135 20 0 CGADHM CSc1cc(Nc2ccc(Cl)c([O-])c2)nn1C ZINC001212590374 815078945 /nfs/dbraw/zinc/07/89/45/815078945.db2.gz JMUSQSZSWQEYAS-UHFFFAOYSA-N -1 3 269.757 3.245 20 0 CGADHM O=C1NCCc2ccc(Nc3ccc(Cl)c([O-])c3)cc21 ZINC001212593226 815079463 /nfs/dbraw/zinc/07/94/63/815079463.db2.gz GOOWTVMWOPNBJI-UHFFFAOYSA-N -1 3 288.734 3.075 20 0 CGADHM CCN(C)c1ncc(Nc2ccc(Cl)c([O-])c2)cn1 ZINC001212590679 815079641 /nfs/dbraw/zinc/07/96/41/815079641.db2.gz YHZMPIWLJKYIJT-UHFFFAOYSA-N -1 3 278.743 3.035 20 0 CGADHM COC(=O)c1ccc(Nc2ccc(Cl)c([O-])c2)cc1O ZINC001212592448 815080005 /nfs/dbraw/zinc/08/00/05/815080005.db2.gz QEFJOJYGISCGMF-UHFFFAOYSA-N -1 3 293.706 3.281 20 0 CGADHM COc1ccc(N)cc1Nc1ccc(Cl)c([O-])c1 ZINC001212593140 815080368 /nfs/dbraw/zinc/08/03/68/815080368.db2.gz FNGATUWDTFWTMZ-UHFFFAOYSA-N -1 3 264.712 3.380 20 0 CGADHM c1ccc(COCCCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001250246657 805517446 /nfs/dbraw/zinc/51/74/46/805517446.db2.gz PMBZMQASFSTJRO-UHFFFAOYSA-N -1 3 294.358 3.016 20 0 CGADHM c1ccc(COCCCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001250246657 805517451 /nfs/dbraw/zinc/51/74/51/805517451.db2.gz PMBZMQASFSTJRO-UHFFFAOYSA-N -1 3 294.358 3.016 20 0 CGADHM COc1ccc(Nc2ncc(Cl)cc2[O-])c(Cl)n1 ZINC001250286235 805542047 /nfs/dbraw/zinc/54/20/47/805542047.db2.gz KSJBRQSPNHOIBN-UHFFFAOYSA-N -1 3 286.118 3.241 20 0 CGADHM [O-]C(=Cc1c(F)cc(F)c(O)c1F)c1cccs1 ZINC001250304360 805553901 /nfs/dbraw/zinc/55/39/01/805553901.db2.gz GTRIQZTZWCETRZ-UHFFFAOYSA-N -1 3 272.247 3.296 20 0 CGADHM COc1ccc(F)c(Nc2cc(=O)[n-]c(C)n2)c1Cl ZINC001250305542 805555373 /nfs/dbraw/zinc/55/53/73/805555373.db2.gz MZOLUMPPUNTBSJ-UHFFFAOYSA-N -1 3 283.690 3.035 20 0 CGADHM COC(=O)Cc1ccc(Nc2cc([O-])c(F)cc2F)cc1 ZINC001212620280 815086629 /nfs/dbraw/zinc/08/66/29/815086629.db2.gz PJRRYQQXKUKMFL-UHFFFAOYSA-N -1 3 293.269 3.130 20 0 CGADHM CC/C=C/[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC001257293050 807088745 /nfs/dbraw/zinc/08/87/45/807088745.db2.gz DTTSMVFDJGTGMC-XVNBXDOJSA-N -1 3 280.176 3.195 20 0 CGADHM COCCOc1ccccc1Nc1ccc([O-])c(F)c1F ZINC001212638579 815091390 /nfs/dbraw/zinc/09/13/90/815091390.db2.gz XQAQGUSYPDANPW-UHFFFAOYSA-N -1 3 295.285 3.439 20 0 CGADHM c1ccc(-c2nnn[n-]2)c(NCCC2=CCCCC2)c1 ZINC001168772443 807509789 /nfs/dbraw/zinc/50/97/89/807509789.db2.gz WHYBBVVWVYWHFF-UHFFFAOYSA-N -1 3 269.352 3.169 20 0 CGADHM c1ccc(-c2nn[n-]n2)c(NCCC2=CCCCC2)c1 ZINC001168772443 807509796 /nfs/dbraw/zinc/50/97/96/807509796.db2.gz WHYBBVVWVYWHFF-UHFFFAOYSA-N -1 3 269.352 3.169 20 0 CGADHM Cc1ccc(-c2nnc(-c3cc(O)ccc3[O-])o2)cc1F ZINC001258785370 807611987 /nfs/dbraw/zinc/61/19/87/807611987.db2.gz NEDDGYVAWXYPGA-UHFFFAOYSA-N -1 3 286.262 3.262 20 0 CGADHM CS[C@H]1C[C@H](NC(=O)c2ccc(C(C)C)cc2[O-])C1 ZINC001169268188 807619326 /nfs/dbraw/zinc/61/93/26/807619326.db2.gz FAMKOFLTCFQKOS-HAQNSBGRSA-N -1 3 279.405 3.139 20 0 CGADHM [O-]c1cccnc1CNc1ccc2sccc2n1 ZINC001169727133 807698672 /nfs/dbraw/zinc/69/86/72/807698672.db2.gz PEILVFKBAKNWIN-UHFFFAOYSA-N -1 3 257.318 3.009 20 0 CGADHM [O-]c1cccnc1CNc1cccc(C(F)(F)F)c1 ZINC001169730892 807700080 /nfs/dbraw/zinc/70/00/80/807700080.db2.gz KQHJAURMRJWASW-UHFFFAOYSA-N -1 3 268.238 3.418 20 0 CGADHM CC[C@H](C)S(=O)(=O)[N-]c1ccccc1OC(C)C ZINC001260738453 807702364 /nfs/dbraw/zinc/70/23/64/807702364.db2.gz NCZWZBXDDOGIBC-NSHDSACASA-N -1 3 271.382 3.014 20 0 CGADHM Cc1cnc(F)cc1Nc1ncc(Cl)cc1[O-] ZINC001212847441 815156011 /nfs/dbraw/zinc/15/60/11/815156011.db2.gz LNGXALMIKPCMAA-UHFFFAOYSA-N -1 3 253.664 3.027 20 0 CGADHM CCCC[C@](CC)(Nc1ccc(=S)[n-]n1)C(=O)OCC ZINC001171228518 808014448 /nfs/dbraw/zinc/01/44/48/808014448.db2.gz SROXGKZVSGCMHE-AWEZNQCLSA-N -1 3 297.424 3.079 20 0 CGADHM CC(=O)CC(C)(C)Nc1[n-]c(=O)c(Cl)cc1Cl ZINC001171495753 808077678 /nfs/dbraw/zinc/07/76/78/808077678.db2.gz OEIXYCQWUURINK-UHFFFAOYSA-N -1 3 277.151 3.264 20 0 CGADHM [O-]c1c(F)cc(Nc2cccc3[nH]cnc32)cc1F ZINC001213031600 815205687 /nfs/dbraw/zinc/20/56/87/815205687.db2.gz ILRBUFAXFYMBRJ-UHFFFAOYSA-N -1 3 261.231 3.290 20 0 CGADHM Cc1nc2cc([N-]c3nnc(-c4ccco4)o3)ccc2[nH]1 ZINC001213070224 815217936 /nfs/dbraw/zinc/21/79/36/815217936.db2.gz FLKDNHKCKQFWIM-UHFFFAOYSA-N -1 3 281.275 3.258 20 0 CGADHM [O-]c1cc(Br)cnc1Nc1ccsc1 ZINC001173820207 808688251 /nfs/dbraw/zinc/68/82/51/808688251.db2.gz SILJZVKBEUGNJI-UHFFFAOYSA-N -1 3 271.139 3.355 20 0 CGADHM NC(=O)c1ccc(Nc2cccc(C(F)(F)F)c2)cc1[O-] ZINC001173824571 808691157 /nfs/dbraw/zinc/69/11/57/808691157.db2.gz JVFPQLACAZPGRY-UHFFFAOYSA-N -1 3 296.248 3.254 20 0 CGADHM O=c1cc(NC=Cc2ccccc2)nc(C2CC2)[n-]1 ZINC001173870221 808727240 /nfs/dbraw/zinc/72/72/40/808727240.db2.gz IXOUETXUKXJGTN-CMDGGOBGSA-N -1 3 253.305 3.142 20 0 CGADHM [O-]c1cc(Cl)cnc1Nc1cc(F)cc(F)c1 ZINC001173913596 808756135 /nfs/dbraw/zinc/75/61/35/808756135.db2.gz XJJAOFKJWAIJEL-UHFFFAOYSA-N -1 3 256.639 3.462 20 0 CGADHM O=C1CCCc2cc(Nc3ncc(F)cc3[O-])ccc21 ZINC001213103361 815235659 /nfs/dbraw/zinc/23/56/59/815235659.db2.gz YRAOFGDCSFLSME-UHFFFAOYSA-N -1 3 272.279 3.189 20 0 CGADHM CN(C)C(=O)c1ccc(Nc2cc([O-])c(F)cc2F)cc1 ZINC001174006387 808816657 /nfs/dbraw/zinc/81/66/57/808816657.db2.gz RNYCIUFMQQBBQB-UHFFFAOYSA-N -1 3 292.285 3.116 20 0 CGADHM Cc1nn(C)cc1Nc1ccc(C)c([O-])c1Cl ZINC001174336946 808958541 /nfs/dbraw/zinc/95/85/41/808958541.db2.gz KUBJXIANVCLEKA-UHFFFAOYSA-N -1 3 251.717 3.140 20 0 CGADHM Cn1ncc2ccc(Nc3ncc(Cl)cc3[O-])cc21 ZINC001174338583 808959471 /nfs/dbraw/zinc/95/94/71/808959471.db2.gz PEYQAODXJBNMSM-UHFFFAOYSA-N -1 3 274.711 3.071 20 0 CGADHM CC(=O)NCc1cccc(Nc2c(F)cc([O-])cc2F)c1 ZINC001174373706 808981457 /nfs/dbraw/zinc/98/14/57/808981457.db2.gz DYISUXAZONPGES-UHFFFAOYSA-N -1 3 292.285 3.050 20 0 CGADHM CCc1nnc([N-]c2cnn(CCC(C)C)c2)s1 ZINC001174411899 809005062 /nfs/dbraw/zinc/00/50/62/809005062.db2.gz FAPSRDMSLSVSJX-UHFFFAOYSA-N -1 3 265.386 3.087 20 0 CGADHM [O-]c1cc(F)c(Nc2cnn(CC3CC3)c2)cc1F ZINC001174470376 809027316 /nfs/dbraw/zinc/02/73/16/809027316.db2.gz XZIBPRCSJQPLBD-UHFFFAOYSA-N -1 3 265.263 3.021 20 0 CGADHM [O-]c1c(Cl)cccc1Nc1cnc2nccnc2c1 ZINC001213220957 815256255 /nfs/dbraw/zinc/25/62/55/815256255.db2.gz WXSDAAFEMKCRGB-UHFFFAOYSA-N -1 3 272.695 3.127 20 0 CGADHM Nc1ccc(Nc2ncc(Br)cc2[O-])c(F)c1 ZINC001174479532 809035553 /nfs/dbraw/zinc/03/55/53/809035553.db2.gz IOLHNGPBNBAGPQ-UHFFFAOYSA-N -1 3 298.115 3.015 20 0 CGADHM O=c1cc(Nc2ccc(C(F)F)cc2)[nH]c(=S)[n-]1 ZINC001174711683 809140028 /nfs/dbraw/zinc/14/00/28/809140028.db2.gz ZXMIOSHDNUZYAG-UHFFFAOYSA-N -1 3 269.276 3.152 20 0 CGADHM Cc1cncc(Nc2nc3c(cccc3[O-])s2)c1 ZINC001174755158 809153644 /nfs/dbraw/zinc/15/36/44/809153644.db2.gz GTNJLAPMBJVKQD-UHFFFAOYSA-N -1 3 257.318 3.449 20 0 CGADHM COc1cc(F)c(Nc2ncc(Cl)cc2[O-])cc1F ZINC001174923030 809201591 /nfs/dbraw/zinc/20/15/91/809201591.db2.gz AKKHMVGAXGEMPC-UHFFFAOYSA-N -1 3 286.665 3.471 20 0 CGADHM [O-]c1c(F)cc(Nc2ncc3ccccc3n2)cc1F ZINC001213370771 815270689 /nfs/dbraw/zinc/27/06/89/815270689.db2.gz MQUCNIXSTJMAQB-UHFFFAOYSA-N -1 3 273.242 3.357 20 0 CGADHM O=c1cc(Nc2c(F)ccc(F)c2F)nc(C2CC2)[n-]1 ZINC001175024840 809242880 /nfs/dbraw/zinc/24/28/80/809242880.db2.gz GYMJQERTGRIWHZ-UHFFFAOYSA-N -1 3 281.237 3.221 20 0 CGADHM CCc1ncsc1Nc1cc(F)c([O-])c(F)c1 ZINC001213379391 815273280 /nfs/dbraw/zinc/27/32/80/815273280.db2.gz VLGFJTHJBYIISR-UHFFFAOYSA-N -1 3 256.277 3.433 20 0 CGADHM Cc1cc(N)ccc1Nc1cc(F)c([O-])c(F)c1 ZINC001213384387 815273935 /nfs/dbraw/zinc/27/39/35/815273935.db2.gz JUDKMUDNLDKTGN-UHFFFAOYSA-N -1 3 250.248 3.305 20 0 CGADHM O=c1[n-]cncc1Nc1cc(C(F)(F)F)ccc1F ZINC001175075734 809260498 /nfs/dbraw/zinc/26/04/98/809260498.db2.gz DDUBDXHOJWHDDT-UHFFFAOYSA-N -1 3 273.189 3.084 20 0 CGADHM O=c1cc(Nc2cc(F)c(F)cc2F)nc(C2CC2)[n-]1 ZINC001175085697 809263856 /nfs/dbraw/zinc/26/38/56/809263856.db2.gz KKBNKGBWFNDSOM-UHFFFAOYSA-N -1 3 281.237 3.221 20 0 CGADHM O=C1NCc2c(Nc3cc(F)c([O-])c(F)c3)cccc2N1 ZINC001213388702 815274990 /nfs/dbraw/zinc/27/49/90/815274990.db2.gz HXCDFSKVVWAVOR-UHFFFAOYSA-N -1 3 291.257 3.049 20 0 CGADHM Nc1cccc2c1c(Cl)nn2-c1cc(F)c([O-])c(F)c1 ZINC001213388580 815275405 /nfs/dbraw/zinc/27/54/05/815275405.db2.gz AHFJDDUCGGONEU-UHFFFAOYSA-N -1 3 295.676 3.245 20 0 CGADHM O=C1OCc2cccc(Nc3cc(F)c([O-])c(F)c3)c21 ZINC001213388797 815275412 /nfs/dbraw/zinc/27/54/12/815275412.db2.gz MTPBXSPCHRMLIQ-UHFFFAOYSA-N -1 3 277.226 3.084 20 0 CGADHM Cc1cccc(CO)c1Nc1cc(F)c([O-])c(F)c1 ZINC001213388655 815275570 /nfs/dbraw/zinc/27/55/70/815275570.db2.gz FODNAGUGTVVQLS-UHFFFAOYSA-N -1 3 265.259 3.215 20 0 CGADHM Cc1ccc(Nc2c(F)cc([O-])cc2F)c(O)c1 ZINC001175100412 809270993 /nfs/dbraw/zinc/27/09/93/809270993.db2.gz SURQMCFKVFNYQA-UHFFFAOYSA-N -1 3 251.232 3.428 20 0 CGADHM COc1nc(C)ccc1Nc1c(F)ccc([O-])c1F ZINC001175262553 809328644 /nfs/dbraw/zinc/32/86/44/809328644.db2.gz JXEUYVIXVCJXFO-UHFFFAOYSA-N -1 3 266.247 3.126 20 0 CGADHM [O-]c1ccc(F)c(Nc2ccnn2C2CCC2)c1F ZINC001175265548 809330892 /nfs/dbraw/zinc/33/08/92/809330892.db2.gz GCGKOWBAGOTSPX-UHFFFAOYSA-N -1 3 265.263 3.336 20 0 CGADHM [O-]c1ccc(F)c(Nc2cccn3nccc23)c1F ZINC001175265592 809331574 /nfs/dbraw/zinc/33/15/74/809331574.db2.gz HPLMNVNLKNTBIZ-UHFFFAOYSA-N -1 3 261.231 3.062 20 0 CGADHM Cc1cc(O)cc(Nc2c(F)ccc([O-])c2F)c1 ZINC001175268190 809332794 /nfs/dbraw/zinc/33/27/94/809332794.db2.gz MQMUFQPECNLZOX-UHFFFAOYSA-N -1 3 251.232 3.428 20 0 CGADHM Cc1cccc(CO)c1Nc1c(F)ccc([O-])c1F ZINC001175270058 809334764 /nfs/dbraw/zinc/33/47/64/809334764.db2.gz URFYIHYQLDTXLO-UHFFFAOYSA-N -1 3 265.259 3.215 20 0 CGADHM Cc1cc(NC(=O)c2c[n-]c3ccccc3c2=O)cs1 ZINC001287346164 809337248 /nfs/dbraw/zinc/33/72/48/809337248.db2.gz XYCYPIHCTNDRAV-UHFFFAOYSA-N -1 3 284.340 3.150 20 0 CGADHM CC(C)c1cc([N-]C(=O)c2noc3c2CCCCC3)no1 ZINC001289935731 809396508 /nfs/dbraw/zinc/39/65/08/809396508.db2.gz NXRTZPYLFHENBK-UHFFFAOYSA-N -1 3 289.335 3.307 20 0 CGADHM CCc1ccc(C(=O)NCc2ccc(F)cc2)c([O-])c1 ZINC001290029157 809398834 /nfs/dbraw/zinc/39/88/34/809398834.db2.gz UVZJAFQXAKCRAY-UHFFFAOYSA-N -1 3 273.307 3.024 20 0 CGADHM c1cnc2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2c1 ZINC001175427889 809401173 /nfs/dbraw/zinc/40/11/73/809401173.db2.gz BFAWYXSEBILDRY-UHFFFAOYSA-N -1 3 288.314 3.159 20 0 CGADHM Cc1c(F)ccc(Nc2ccc(-c3nn[n-]n3)cc2)c1F ZINC001175432821 809402768 /nfs/dbraw/zinc/40/27/68/809402768.db2.gz LAHHTJOHMRKNPY-UHFFFAOYSA-N -1 3 287.273 3.197 20 0 CGADHM C[S@](=O)c1ccc(Nc2ccc([O-])c(F)c2F)cc1 ZINC001175484929 809425654 /nfs/dbraw/zinc/42/56/54/809425654.db2.gz ZPLYJYIVAADJAK-IBGZPJMESA-N -1 3 283.299 3.151 20 0 CGADHM Cc1ccc2c(c1)CC[C@H]2NC(=O)c1c(C)cccc1[O-] ZINC001292039660 809427020 /nfs/dbraw/zinc/42/70/20/809427020.db2.gz SAGARGVYNZURAO-OAHLLOKOSA-N -1 3 281.355 3.426 20 0 CGADHM Clc1cnc(Br)c([N-]c2cncs2)n1 ZINC001175495848 809430160 /nfs/dbraw/zinc/43/01/60/809430160.db2.gz OHSKWSAJLVMYPW-UHFFFAOYSA-N -1 3 291.561 3.093 20 0 CGADHM Cc1cc(Nc2ncc(Cl)cc2[O-])cc2c[nH]nc21 ZINC001175516767 809437579 /nfs/dbraw/zinc/43/75/79/809437579.db2.gz GDXLLQBBDOKYDD-UHFFFAOYSA-N -1 3 274.711 3.369 20 0 CGADHM O=C(NCCCCC1CCCC1)c1ccc(O)cc1[O-] ZINC001294061434 809459380 /nfs/dbraw/zinc/45/93/80/809459380.db2.gz CLQMGLCMHAFJRW-UHFFFAOYSA-N -1 3 277.364 3.188 20 0 CGADHM COc1cc(C)cc(C(=O)Nc2cc(F)ccc2[O-])c1C ZINC001295978274 809496938 /nfs/dbraw/zinc/49/69/38/809496938.db2.gz DITMNGIYHGRLPS-UHFFFAOYSA-N -1 3 289.306 3.409 20 0 CGADHM O=c1cc(NC2=CCCCC2)[n-]n1-c1ccccc1 ZINC001175752517 809531878 /nfs/dbraw/zinc/53/18/78/809531878.db2.gz MXZUSTKOMQZAKP-UHFFFAOYSA-N -1 3 255.321 3.448 20 0 CGADHM Cc1cccc([O-])c1C(=O)Nc1cc(F)cc(N(C)C)c1 ZINC001300246091 809564524 /nfs/dbraw/zinc/56/45/24/809564524.db2.gz HIFUDZBGWIRMOK-UHFFFAOYSA-N -1 3 288.322 3.158 20 0 CGADHM CCc1ccc(C(=O)Nc2ccn3cc(C)nc3c2)c([O-])c1 ZINC001301354377 809582695 /nfs/dbraw/zinc/58/26/95/809582695.db2.gz NOPOIBRGZZFMDN-UHFFFAOYSA-N -1 3 295.342 3.163 20 0 CGADHM [O-]c1cccc(Nc2cnn(C3CC3)c2)c1Br ZINC001175963346 809583619 /nfs/dbraw/zinc/58/36/19/809583619.db2.gz BQDGGAZBUSZRFL-UHFFFAOYSA-N -1 3 294.152 3.430 20 0 CGADHM CSc1ccc([O-])c(C(=O)N[C@@H](C)CC2CCC2)c1 ZINC001301803475 809586917 /nfs/dbraw/zinc/58/69/17/809586917.db2.gz WHKQBCIXYQWPLJ-JTQLQIEISA-N -1 3 279.405 3.423 20 0 CGADHM COc1ccc(Nc2cccc([O-])c2Cl)cc1CO ZINC001175987437 809593097 /nfs/dbraw/zinc/59/30/97/809593097.db2.gz XPSSQXRLERGIBN-UHFFFAOYSA-N -1 3 279.723 3.290 20 0 CGADHM CCc1cccc(C(=O)Nc2ccc3c(n2)CCCC3)c1[O-] ZINC001303331529 809608374 /nfs/dbraw/zinc/60/83/74/809608374.db2.gz IWVHEECPADEVTG-UHFFFAOYSA-N -1 3 296.370 3.481 20 0 CGADHM COCc1ccc(C)c(Nc2ncc(F)cc2[O-])c1 ZINC001213572108 815305336 /nfs/dbraw/zinc/30/53/36/815305336.db2.gz XPUHGHCTMFFMRH-UHFFFAOYSA-N -1 3 262.284 3.125 20 0 CGADHM Cc1ccc([O-])c(-c2nc(-c3ccc(C)c(F)c3)no2)n1 ZINC001213698012 815323351 /nfs/dbraw/zinc/32/33/51/815323351.db2.gz KGKZUQZHDVKTNZ-UHFFFAOYSA-N -1 3 285.278 3.260 20 0 CGADHM CCC1(C(=O)Nc2ncc([O-])cc2Br)CCC1 ZINC001179019983 809899453 /nfs/dbraw/zinc/89/94/53/809899453.db2.gz JPMXPBXAVLYOBY-UHFFFAOYSA-N -1 3 299.168 3.069 20 0 CGADHM CC1(C)C(C(=O)Nc2ccc(F)c([O-])c2)C1(C)C ZINC001179694502 809937706 /nfs/dbraw/zinc/93/77/06/809937706.db2.gz NVTLJSAHRZRUHN-UHFFFAOYSA-N -1 3 251.301 3.152 20 0 CGADHM O=C(Nc1cccnc1)Nc1c([O-])cccc1Cl ZINC001185686345 810284494 /nfs/dbraw/zinc/28/44/94/810284494.db2.gz QLTPKLJJMQEAFF-UHFFFAOYSA-N -1 3 263.684 3.085 20 0 CGADHM Cc1cc(-c2noc(-c3ccc(F)c(=O)[n-]3)n2)ccc1F ZINC001214085675 815366517 /nfs/dbraw/zinc/36/65/17/815366517.db2.gz UKWDHDIFMHWFRE-UHFFFAOYSA-N -1 3 289.241 3.091 20 0 CGADHM CCCOc1cc(F)ccc1Nc1cnc(C)[n-]c1=O ZINC001214081465 815366531 /nfs/dbraw/zinc/36/65/31/815366531.db2.gz DYAOTQYVMSXIQN-UHFFFAOYSA-N -1 3 277.299 3.162 20 0 CGADHM CCc1cc(C(=O)Nc2c([O-])cccc2C(C)=O)cc(C)n1 ZINC001188348271 810477612 /nfs/dbraw/zinc/47/76/12/810477612.db2.gz NRHXGFIJEPNYRD-UHFFFAOYSA-N -1 3 298.342 3.113 20 0 CGADHM COc1ccc(NC(=O)Nc2cncc([O-])c2)cc1Cl ZINC001188442476 810483004 /nfs/dbraw/zinc/48/30/04/810483004.db2.gz KOFUEQHBXTVEQF-UHFFFAOYSA-N -1 3 293.710 3.093 20 0 CGADHM Cc1cc(NC(=O)c2c(C)cccc2[O-])cc2snnc21 ZINC001188655265 810500442 /nfs/dbraw/zinc/50/04/42/810500442.db2.gz MHYGQJBRNKCJHO-UHFFFAOYSA-N -1 3 299.355 3.266 20 0 CGADHM Cc1cccc([O-])c1C(=O)NCc1sccc1Cl ZINC001188660244 810500530 /nfs/dbraw/zinc/50/05/30/810500530.db2.gz XGCQADPFOSUGTQ-UHFFFAOYSA-N -1 3 281.764 3.346 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCC[C@@H](C(C)C)CC2)o1 ZINC001189464698 810572915 /nfs/dbraw/zinc/57/29/15/810572915.db2.gz JJRJHLXOYGKFAP-KGLIPLIRSA-N -1 3 299.436 3.471 20 0 CGADHM Cc1cccc(CNC(=O)Nc2ccc([O-])c(F)c2)c1 ZINC001190994902 810661749 /nfs/dbraw/zinc/66/17/49/810661749.db2.gz QBBVHHYTGNAXRD-UHFFFAOYSA-N -1 3 274.295 3.161 20 0 CGADHM COCOc1ccc(C)cc1[N-]c1nnc(C(C)(C)C)o1 ZINC001214236315 815389323 /nfs/dbraw/zinc/38/93/23/815389323.db2.gz UJSASUSPFWLWJN-UHFFFAOYSA-N -1 3 291.351 3.402 20 0 CGADHM CCc1ccc(OC)c([N-]S(=O)(=O)CC2CCCC2)c1 ZINC001191535966 810722947 /nfs/dbraw/zinc/72/29/47/810722947.db2.gz TXUWMWUGSFOIQE-UHFFFAOYSA-N -1 3 297.420 3.190 20 0 CGADHM C[C@@H](O)c1ccc(C(=O)Nc2cc([O-])cc(Cl)c2)cc1 ZINC001192362577 810791675 /nfs/dbraw/zinc/79/16/75/810791675.db2.gz OGQPRFDCWPJAPX-SECBINFHSA-N -1 3 291.734 3.351 20 0 CGADHM COC(=O)c1ccc([O-])cc1NC(=O)OC1CCCCC1 ZINC001193642298 810927159 /nfs/dbraw/zinc/92/71/59/810927159.db2.gz PJGBSXAXNHLFMH-UHFFFAOYSA-N -1 3 293.319 3.060 20 0 CGADHM CCCC1CCN(C(=O)c2c(C)cc(O)cc2[O-])CC1 ZINC001193932312 810979727 /nfs/dbraw/zinc/97/97/27/810979727.db2.gz YBBRGEXZCXMQEC-UHFFFAOYSA-N -1 3 277.364 3.059 20 0 CGADHM Cc1cc(O)cc([O-])c1C(=O)NCc1sccc1Cl ZINC001193945262 810983052 /nfs/dbraw/zinc/98/30/52/810983052.db2.gz AZZLEGJNHJQMCB-UHFFFAOYSA-N -1 3 297.763 3.051 20 0 CGADHM O=c1[n-]cncc1Nc1c(Cl)cc(F)cc1Cl ZINC001214475272 815415589 /nfs/dbraw/zinc/41/55/89/815415589.db2.gz QERVAHLVQPGSEV-UHFFFAOYSA-N -1 3 274.082 3.372 20 0 CGADHM CC(=O)c1cccc([O-])c1NC(=O)Oc1ccccc1 ZINC001194254080 811042611 /nfs/dbraw/zinc/04/26/11/811042611.db2.gz ROQCKJRYRIZWCJ-UHFFFAOYSA-N -1 3 271.272 3.206 20 0 CGADHM Cc1cccc([N-]S(=O)(=O)c2c(C)cccc2C)c1 ZINC001194602039 811093872 /nfs/dbraw/zinc/09/38/72/811093872.db2.gz CTYAOYYVRWGXIW-UHFFFAOYSA-N -1 3 275.373 3.413 20 0 CGADHM CC(=O)Nc1cncc(Nc2c(Cl)ccc([O-])c2F)c1 ZINC001214557767 815422992 /nfs/dbraw/zinc/42/29/92/815422992.db2.gz JOMDNLDGEATDLN-UHFFFAOYSA-N -1 3 295.701 3.282 20 0 CGADHM COc1cccnc1Nc1c(Cl)ccc([O-])c1F ZINC001214556527 815423033 /nfs/dbraw/zinc/42/30/33/815423033.db2.gz WHZBPJXPYWVITQ-UHFFFAOYSA-N -1 3 268.675 3.332 20 0 CGADHM CSc1nccc(Nc2c(Cl)ccc([O-])c2F)n1 ZINC001214554258 815423152 /nfs/dbraw/zinc/42/31/52/815423152.db2.gz ODSZHWSLEADDPR-UHFFFAOYSA-N -1 3 285.731 3.440 20 0 CGADHM CCC[C@H](C)c1cc(NC(=S)[N-]C(=O)OCC)on1 ZINC001195454721 811256826 /nfs/dbraw/zinc/25/68/26/811256826.db2.gz LHJDHISNWRPCDH-QMMMGPOBSA-N -1 3 285.369 3.021 20 0 CGADHM CC(C)Nc1nc(C(=O)Nc2ccc(F)c([O-])c2)cs1 ZINC001195681507 811280767 /nfs/dbraw/zinc/28/07/67/811280767.db2.gz LNIOOCADSVXHKF-UHFFFAOYSA-N -1 3 295.339 3.060 20 0 CGADHM CCCc1cccc([N-]S(=O)(=O)c2ccc(O)cc2)c1 ZINC001195810136 811294120 /nfs/dbraw/zinc/29/41/20/811294120.db2.gz CRVDDWFZOOMGIG-UHFFFAOYSA-N -1 3 291.372 3.146 20 0 CGADHM CCCc1cccc(NS(=O)(=O)c2ccc([O-])cc2)c1 ZINC001195810136 811294126 /nfs/dbraw/zinc/29/41/26/811294126.db2.gz CRVDDWFZOOMGIG-UHFFFAOYSA-N -1 3 291.372 3.146 20 0 CGADHM Cc1c(F)ccc(F)c1C(=O)[N-]c1noc2cccnc21 ZINC001196713202 811359725 /nfs/dbraw/zinc/35/97/25/811359725.db2.gz BVXAYJFXGHAHHX-UHFFFAOYSA-N -1 3 289.241 3.062 20 0 CGADHM O=c1cc(NC2=CC[C@@H](C(F)(F)F)CC2)[nH]c(=S)[n-]1 ZINC001196766601 811363092 /nfs/dbraw/zinc/36/30/92/811363092.db2.gz FDCDUXNPCIYISW-ZCFIWIBFSA-N -1 3 291.298 3.129 20 0 CGADHM [O-]c1cc(NC(=S)Nc2ccc(F)cc2)ccc1F ZINC001196942192 811386415 /nfs/dbraw/zinc/38/64/15/811386415.db2.gz UKELTRQBKKJUAL-UHFFFAOYSA-N -1 3 280.299 3.479 20 0 CGADHM [O-]c1cccc2sc(NC(=S)NC3CCCC3)nc21 ZINC001198510408 811510129 /nfs/dbraw/zinc/51/01/29/811510129.db2.gz UFFRZOJXPAZAEI-UHFFFAOYSA-N -1 3 293.417 3.231 20 0 CGADHM O=C(Nc1ccc(F)c([O-])c1)c1ccc2c(c1)CCC2 ZINC001198775699 811541569 /nfs/dbraw/zinc/54/15/69/811541569.db2.gz UFLAOYCOSNNHDF-UHFFFAOYSA-N -1 3 271.291 3.272 20 0 CGADHM Cn1ccc2cccc(C(=O)Nc3ccc(F)c([O-])c3)c21 ZINC001199019718 811555448 /nfs/dbraw/zinc/55/54/48/811555448.db2.gz VEFPOVUAYFDXDC-UHFFFAOYSA-N -1 3 284.290 3.275 20 0 CGADHM CCCCCNC(=S)Nc1ccc(F)c([O-])c1 ZINC001200054681 811630399 /nfs/dbraw/zinc/63/03/99/811630399.db2.gz JQNAUEXURYKRHJ-UHFFFAOYSA-N -1 3 256.346 3.008 20 0 CGADHM O=c1cc(Nc2cc3ccccc3[nH]c2=O)nc(C2CC2)[n-]1 ZINC001201753505 811959012 /nfs/dbraw/zinc/95/90/12/811959012.db2.gz XITSVPNYEQQKMN-UHFFFAOYSA-N -1 3 294.314 3.057 20 0 CGADHM Cc1nc(Nc2csc3ccccc23)cc(=O)[n-]1 ZINC001201844631 811970895 /nfs/dbraw/zinc/97/08/95/811970895.db2.gz DZSRMVGPXBTKAF-UHFFFAOYSA-N -1 3 257.318 3.449 20 0 CGADHM O=C(Nc1ccc(F)c([O-])c1)Nc1cc(F)ccc1F ZINC001202658012 812147907 /nfs/dbraw/zinc/14/79/07/812147907.db2.gz KWRYJZRBNRWLAK-UHFFFAOYSA-N -1 3 282.221 3.454 20 0 CGADHM Cc1nc(Nc2ccc(F)c(F)c2Cl)cc(=O)[n-]1 ZINC001215399686 815517075 /nfs/dbraw/zinc/51/70/75/815517075.db2.gz QLMBNYVZOMXVMC-UHFFFAOYSA-N -1 3 271.654 3.166 20 0 CGADHM [O-]c1cc(F)c(Nc2cc3n[nH]cc3c(F)c2)cc1F ZINC001215556616 815533880 /nfs/dbraw/zinc/53/38/80/815533880.db2.gz JTZRNHYKVWQYJF-UHFFFAOYSA-N -1 3 279.221 3.429 20 0 CGADHM [O-]c1cc(F)c(Nc2cc3[nH]ncc3c(F)c2)cc1F ZINC001215556616 815533883 /nfs/dbraw/zinc/53/38/83/815533883.db2.gz JTZRNHYKVWQYJF-UHFFFAOYSA-N -1 3 279.221 3.429 20 0 CGADHM [O-]c1cc(F)c(Nc2c(F)cnc(F)c2F)cc1F ZINC001215570492 815536082 /nfs/dbraw/zinc/53/60/82/815536082.db2.gz ISFLQWAFZODIHZ-UHFFFAOYSA-N -1 3 276.164 3.226 20 0 CGADHM Cc1cnc(Cl)c(Nc2cc(F)c([O-])cc2F)n1 ZINC001215572134 815537832 /nfs/dbraw/zinc/53/78/32/815537832.db2.gz MQGPLTLVBOKOIX-UHFFFAOYSA-N -1 3 271.654 3.166 20 0 CGADHM CCOc1ccc([N-]c2nnc(C(C)C)o2)c(C)n1 ZINC001215576609 815539716 /nfs/dbraw/zinc/53/97/16/815539716.db2.gz FEDAXSCFZXEWBB-UHFFFAOYSA-N -1 3 262.313 3.039 20 0 CGADHM COc1c(Nc2cc(=O)[n-]c(C3CC3)n2)ccc(C)c1F ZINC001215600287 815544460 /nfs/dbraw/zinc/54/44/60/815544460.db2.gz WRNGGNIRXTZXCS-UHFFFAOYSA-N -1 3 289.310 3.259 20 0 CGADHM Cc1ncc(Nc2ccc(C(=O)[O-])c(C)c2Cl)n1C ZINC001215691423 815559245 /nfs/dbraw/zinc/55/92/45/815559245.db2.gz JEDNIOIQCJYSGW-UHFFFAOYSA-N -1 3 279.727 3.132 20 0 CGADHM COc1cc(Nc2cc(=O)[n-]c(C3CC3)n2)cc(C)c1F ZINC001215700988 815560555 /nfs/dbraw/zinc/56/05/55/815560555.db2.gz TVZMRJSBUSPHDW-UHFFFAOYSA-N -1 3 289.310 3.259 20 0 CGADHM Oc1ccc2cc(-c3ccc(-c4nnn[n-]4)cc3)ccc2c1 ZINC001205772899 813072172 /nfs/dbraw/zinc/07/21/72/813072172.db2.gz SDGITIWNXJWGGB-UHFFFAOYSA-N -1 3 288.310 3.393 20 0 CGADHM Oc1ccc2cc(-c3ccc(-c4nn[n-]n4)cc3)ccc2c1 ZINC001205772899 813072186 /nfs/dbraw/zinc/07/21/86/813072186.db2.gz SDGITIWNXJWGGB-UHFFFAOYSA-N -1 3 288.310 3.393 20 0 CGADHM CSc1cc(Nc2cnc(C)[n-]c2=O)ccc1F ZINC001215794483 815594483 /nfs/dbraw/zinc/59/44/83/815594483.db2.gz SEHRSLGBIXIJTO-UHFFFAOYSA-N -1 3 265.313 3.095 20 0 CGADHM CC(C)(C)Oc1ccc(-c2ccc([O-])cc2F)nn1 ZINC001206021201 813169080 /nfs/dbraw/zinc/16/90/80/813169080.db2.gz JLQSZBPISMMPFK-UHFFFAOYSA-N -1 3 262.284 3.166 20 0 CGADHM O=C([O-])c1cc(-c2cncc3cc[nH]c32)cc(F)c1F ZINC001206039052 813177174 /nfs/dbraw/zinc/17/71/74/813177174.db2.gz ZFIHUHLXIDKGKP-UHFFFAOYSA-N -1 3 274.226 3.206 20 0 CGADHM [O-]c1ccc(-c2ccc(-c3ccncc3)nn2)c(F)c1 ZINC001206045013 813179621 /nfs/dbraw/zinc/17/96/21/813179621.db2.gz WHDHWABIRDEIIH-UHFFFAOYSA-N -1 3 267.263 3.050 20 0 CGADHM COCOc1ccc(OC)cc1-c1ccc([O-])cc1F ZINC001206073624 813191535 /nfs/dbraw/zinc/19/15/35/813191535.db2.gz XPGWLVHTCOAWSA-UHFFFAOYSA-N -1 3 278.279 3.190 20 0 CGADHM CCN(CC)C(=O)c1ccc(-c2ccc([O-])cc2F)cn1 ZINC001206073671 813191572 /nfs/dbraw/zinc/19/15/72/813191572.db2.gz YCLGHTNVYOOKMJ-UHFFFAOYSA-N -1 3 288.322 3.075 20 0 CGADHM COC(=O)c1c(F)c(-c2ccc([O-])cc2F)ccc1OC ZINC001206087571 813196213 /nfs/dbraw/zinc/19/62/13/813196213.db2.gz DSQOSQMVPCSOKM-UHFFFAOYSA-N -1 3 294.253 3.133 20 0 CGADHM CC(C)Oc1cc(-c2ccccc2-c2nnn[n-]2)ccc1F ZINC001206178919 813227300 /nfs/dbraw/zinc/22/73/00/813227300.db2.gz IPALEUUVYWPKCZ-UHFFFAOYSA-N -1 3 298.321 3.460 20 0 CGADHM CC(C)Oc1cc(-c2ccccc2-c2nn[n-]n2)ccc1F ZINC001206178919 813227302 /nfs/dbraw/zinc/22/73/02/813227302.db2.gz IPALEUUVYWPKCZ-UHFFFAOYSA-N -1 3 298.321 3.460 20 0 CGADHM Nc1ccccc1Nc1cccc([O-])c1Br ZINC001206375608 813307485 /nfs/dbraw/zinc/30/74/85/813307485.db2.gz LXIAGJLUDWTMRH-UHFFFAOYSA-N -1 3 279.137 3.481 20 0 CGADHM CCCCCC[N-]S(=O)(=O)c1cc(F)c(C)cc1F ZINC001207980646 813683318 /nfs/dbraw/zinc/68/33/18/813683318.db2.gz IRJJNQYKFOWYFD-UHFFFAOYSA-N -1 3 291.363 3.132 20 0 CGADHM COc1ccc(Nc2cc([O-])cc(F)c2)c(C(C)=O)c1 ZINC001208198304 813742353 /nfs/dbraw/zinc/74/23/53/813742353.db2.gz BWWFDDJDXBJFMC-UHFFFAOYSA-N -1 3 275.279 3.486 20 0 CGADHM O=c1oc2cc([O-])ccc2cc1Nc1ccc2[nH]cnc2c1 ZINC001209847795 814165575 /nfs/dbraw/zinc/16/55/75/814165575.db2.gz IKFVQKAHWVWSGT-UHFFFAOYSA-N -1 3 293.282 3.119 20 0 CGADHM Fc1ccc2oc(-c3cccc(-c4nnn[n-]4)c3)cc2c1 ZINC001242708044 823107224 /nfs/dbraw/zinc/10/72/24/823107224.db2.gz RNMAHGQGLGVMDL-UHFFFAOYSA-N -1 3 280.262 3.419 20 0 CGADHM Fc1ccc2oc(-c3cccc(-c4nn[n-]n4)c3)cc2c1 ZINC001242708044 823107227 /nfs/dbraw/zinc/10/72/27/823107227.db2.gz RNMAHGQGLGVMDL-UHFFFAOYSA-N -1 3 280.262 3.419 20 0 CGADHM [O-]c1cc(F)cnc1Nc1ccc2cnccc2c1 ZINC001210046552 814263793 /nfs/dbraw/zinc/26/37/93/814263793.db2.gz GDLXHJFAVFVUHC-UHFFFAOYSA-N -1 3 255.252 3.218 20 0 CGADHM CN(C)Cc1ccccc1Nc1cccc(CC(=O)[O-])c1 ZINC001210073081 814273956 /nfs/dbraw/zinc/27/39/56/814273956.db2.gz FUCYXKJOAPZWCD-UHFFFAOYSA-N -1 3 284.359 3.119 20 0 CGADHM CCOC(=O)c1nnsc1[N-]c1ccc(F)c(F)c1C ZINC001210129715 814303758 /nfs/dbraw/zinc/30/37/58/814303758.db2.gz CQHBEKRKEGDPHI-UHFFFAOYSA-N -1 3 299.302 3.045 20 0 CGADHM O=C1CCOc2c(Nc3cccc(F)c3[O-])ccc(F)c21 ZINC001210203359 814338555 /nfs/dbraw/zinc/33/85/55/814338555.db2.gz ADNBJBGZHXDPHJ-UHFFFAOYSA-N -1 3 291.253 3.379 20 0 CGADHM CC1(C)COc2c(Nc3cccc(Cl)c3[O-])cnn2C1 ZINC001210220102 814348334 /nfs/dbraw/zinc/34/83/34/814348334.db2.gz MBXSVFIOPNIBFX-UHFFFAOYSA-N -1 3 293.754 3.404 20 0 CGADHM CN1Cc2cc(Nc3cccc(Cl)c3[O-])ccc2C1=O ZINC001210222261 814349396 /nfs/dbraw/zinc/34/93/96/814349396.db2.gz XZGHLOKICJOWJI-UHFFFAOYSA-N -1 3 288.734 3.375 20 0 CGADHM Nc1cccc(O)c1Nc1cccc(Cl)c1[O-] ZINC001210222660 814351761 /nfs/dbraw/zinc/35/17/61/814351761.db2.gz BEQFRIIEEAHLCP-UHFFFAOYSA-N -1 3 250.685 3.077 20 0 CGADHM COc1cc(Nc2cccc([O-])c2Cl)c(OC)cn1 ZINC001210308861 814395996 /nfs/dbraw/zinc/39/59/96/814395996.db2.gz DFIQLKVDQGDJBG-UHFFFAOYSA-N -1 3 280.711 3.201 20 0 CGADHM CC(C)n1ccc(Nc2cc(F)c(F)cc2[O-])n1 ZINC001210343673 814412441 /nfs/dbraw/zinc/41/24/41/814412441.db2.gz GBRLTRUKHOESLC-UHFFFAOYSA-N -1 3 253.252 3.191 20 0 CGADHM [O-]c1cc(Nc2cccc3c2OCCO3)c(F)cc1F ZINC001210370031 814428002 /nfs/dbraw/zinc/42/80/02/814428002.db2.gz VQAOHJWNFTZWEX-UHFFFAOYSA-N -1 3 279.242 3.185 20 0 CGADHM COc1ncc(Cl)cc1Nc1cc(F)c([O-])c(F)c1 ZINC001210451348 814463955 /nfs/dbraw/zinc/46/39/55/814463955.db2.gz CVAZVSZZPUQXOL-UHFFFAOYSA-N -1 3 286.665 3.471 20 0 CGADHM COc1cc2ccccc2c(Nc2cc(=O)[n-]c(C)n2)c1 ZINC001210587150 814543156 /nfs/dbraw/zinc/54/31/56/814543156.db2.gz IWLHLCNPWYEHJB-UHFFFAOYSA-N -1 3 281.315 3.396 20 0 CGADHM COCc1cnc(-c2cc([O-])cc(C(F)(F)F)c2)nc1 ZINC001242780953 823130952 /nfs/dbraw/zinc/13/09/52/823130952.db2.gz ZIAHWDDKEVXYND-UHFFFAOYSA-N -1 3 284.237 3.014 20 0 CGADHM [O-]c1cc(-c2ncc3c(n2)CCC3)cc(C(F)(F)F)c1 ZINC001242781003 823131519 /nfs/dbraw/zinc/13/15/19/823131519.db2.gz WERIPIMPSQINMK-UHFFFAOYSA-N -1 3 280.249 3.357 20 0 CGADHM O=c1cc(Nc2ccccc2OC2CC2)nc(C2CC2)[n-]1 ZINC001210834634 814645677 /nfs/dbraw/zinc/64/56/77/814645677.db2.gz CUVKUROYIAQWRO-UHFFFAOYSA-N -1 3 283.331 3.344 20 0 CGADHM [O-]c1cc(F)cnc1Nc1ccccc1OC1CC1 ZINC001210835076 814647473 /nfs/dbraw/zinc/64/74/73/814647473.db2.gz PDYIFAUEBVMJIG-UHFFFAOYSA-N -1 3 260.268 3.211 20 0 CGADHM COc1nc(Cl)cc(Nc2cccc([O-])c2Cl)n1 ZINC001210844477 814649518 /nfs/dbraw/zinc/64/95/18/814649518.db2.gz JNTQCJYIEHPRQK-UHFFFAOYSA-N -1 3 286.118 3.241 20 0 CGADHM Cn1nc2c(c1Nc1cccc([O-])c1Cl)CCC2 ZINC001210845499 814650843 /nfs/dbraw/zinc/65/08/43/814650843.db2.gz WSIMIDSHDQSXRL-UHFFFAOYSA-N -1 3 263.728 3.011 20 0 CGADHM COC(=O)c1scnc1Nc1cccc([O-])c1Cl ZINC001210851752 814650915 /nfs/dbraw/zinc/65/09/15/814650915.db2.gz IRIFRNUQHMUMPS-UHFFFAOYSA-N -1 3 284.724 3.032 20 0 CGADHM CN(C)c1cccnc1Nc1cccc([O-])c1Cl ZINC001210855445 814652087 /nfs/dbraw/zinc/65/20/87/814652087.db2.gz NYFIIDYTBJZGEH-UHFFFAOYSA-N -1 3 263.728 3.250 20 0 CGADHM Nc1c(F)cc(Nc2ncc(Cl)cc2[O-])cc1F ZINC001210908307 814668470 /nfs/dbraw/zinc/66/84/70/814668470.db2.gz LZWHHOQZLCZDAF-UHFFFAOYSA-N -1 3 271.654 3.045 20 0 CGADHM CC(=Nc1cc(=O)[n-]c(C2CC2)n1)c1ccccc1 ZINC001210983541 814698793 /nfs/dbraw/zinc/69/87/93/814698793.db2.gz YGJSZKPXFHUOJU-UHFFFAOYSA-N -1 3 253.305 3.142 20 0 CGADHM Cc1ccc([N-]c2nc3cccc(C(F)(F)F)n3n2)nc1 ZINC001211010336 814705541 /nfs/dbraw/zinc/70/55/41/814705541.db2.gz HEFRTQMEENZNMZ-UHFFFAOYSA-N -1 3 293.252 3.195 20 0 CGADHM Cc1ccc(Nc2nc3c(cccc3[O-])s2)nc1 ZINC001211007107 814705600 /nfs/dbraw/zinc/70/56/00/814705600.db2.gz NKRKHVHIKAWNBH-UHFFFAOYSA-N -1 3 257.318 3.449 20 0 CGADHM [O-]c1c(F)cc(Nc2ccc(F)c(O)c2)cc1F ZINC001211218239 814854128 /nfs/dbraw/zinc/85/41/28/814854128.db2.gz OOQFYOXKADUMEO-UHFFFAOYSA-N -1 3 255.195 3.259 20 0 CGADHM CC(=O)c1ccc(Nc2ccc(F)c([O-])c2)cc1O ZINC001211218360 814854523 /nfs/dbraw/zinc/85/45/23/814854523.db2.gz RTBRXCXSAKWMKH-UHFFFAOYSA-N -1 3 261.252 3.183 20 0 CGADHM COCOc1ccc(Nc2cc([O-])c(F)cc2F)cc1 ZINC001211639373 814923308 /nfs/dbraw/zinc/92/33/08/814923308.db2.gz GTFCRNGDHIFTMS-UHFFFAOYSA-N -1 3 281.258 3.397 20 0 CGADHM Cc1ncc(Nc2cc(F)c(F)cc2Cl)c(=O)[n-]1 ZINC001216371610 815800966 /nfs/dbraw/zinc/80/09/66/815800966.db2.gz SYWSXMYLXLSMPD-UHFFFAOYSA-N -1 3 271.654 3.166 20 0 CGADHM Cc1nc(Nc2cc(F)ccc2Cl)cc(=O)[n-]1 ZINC001216476814 815834236 /nfs/dbraw/zinc/83/42/36/815834236.db2.gz GNHJHKYFTRKOHL-UHFFFAOYSA-N -1 3 253.664 3.027 20 0 CGADHM CN(Cc1ccc(-c2ccccc2C(=O)[O-])nc1)C1CC1 ZINC001242879432 823162557 /nfs/dbraw/zinc/16/25/57/823162557.db2.gz XGASKCRVLOORDO-UHFFFAOYSA-N -1 3 282.343 3.041 20 0 CGADHM CCOC(=O)/C=C/c1cccnc1-c1ccc(F)c([O-])c1 ZINC001243047974 823224956 /nfs/dbraw/zinc/22/49/56/823224956.db2.gz IOGMKPXXMQTNCJ-SOFGYWHQSA-N -1 3 287.290 3.170 20 0 CGADHM [O-]c1cc(-c2ccnc(C(F)(F)F)n2)ccc1F ZINC001243048747 823225431 /nfs/dbraw/zinc/22/54/31/823225431.db2.gz OAZUONRIFKRIOO-UHFFFAOYSA-N -1 3 258.174 3.007 20 0 CGADHM O=C1CC[C@H](c2ccc(-c3ccc(F)c([O-])c3)cc2)N1 ZINC001243048503 823225650 /nfs/dbraw/zinc/22/56/50/823225650.db2.gz AMADPEOPQLJREC-CQSZACIVSA-N -1 3 271.291 3.149 20 0 CGADHM COc1cc(-c2ccc(F)c([O-])c2)c2cc[nH]c2n1 ZINC001243052114 823228378 /nfs/dbraw/zinc/22/83/78/823228378.db2.gz YIRWWVAMYMNQFH-UHFFFAOYSA-N -1 3 258.252 3.083 20 0 CGADHM [O-]c1cc(-c2ccc3c(c2)OCCCO3)ccc1F ZINC001243051987 823228748 /nfs/dbraw/zinc/22/87/48/823228748.db2.gz SAQUPKMPAPVRSQ-UHFFFAOYSA-N -1 3 260.264 3.360 20 0 CGADHM Cc1cnc(=S)[n-]c1O[C@H]1CCc2c1nccc2Cl ZINC001225742750 817163779 /nfs/dbraw/zinc/16/37/79/817163779.db2.gz PCIQPKRDNSBQFZ-JTQLQIEISA-N -1 3 293.779 3.188 20 0 CGADHM COc1cccc(-c2ccc3c(c2)[N-]C(=S)C3)n1 ZINC001243100465 823246921 /nfs/dbraw/zinc/24/69/21/823246921.db2.gz UWWLZHJCRJVEHC-UHFFFAOYSA-N -1 3 256.330 3.053 20 0 CGADHM CC(=O)c1ccc([O-])c(O[C@@H](C(C)=O)c2ccccc2)c1 ZINC001225994698 817241661 /nfs/dbraw/zinc/24/16/61/817241661.db2.gz NVQSFAJCNDJTMG-KRWDZBQOSA-N -1 3 284.311 3.304 20 0 CGADHM Fc1ccc(-c2cc3ccccc3[nH]2)cc1-c1nnn[n-]1 ZINC001243107205 823250085 /nfs/dbraw/zinc/25/00/85/823250085.db2.gz UPUNWXNCFBDJBX-UHFFFAOYSA-N -1 3 279.278 3.154 20 0 CGADHM Fc1ccc(-c2cc3ccccc3[nH]2)cc1-c1nn[n-]n1 ZINC001243107205 823250087 /nfs/dbraw/zinc/25/00/87/823250087.db2.gz UPUNWXNCFBDJBX-UHFFFAOYSA-N -1 3 279.278 3.154 20 0 CGADHM C[C@@H](Oc1[n-]c(=S)ncc1C1CC1)c1nccs1 ZINC001226118853 817278511 /nfs/dbraw/zinc/27/85/11/817278511.db2.gz JOQJNWACPYTAIB-SSDOTTSWSA-N -1 3 279.390 3.239 20 0 CGADHM F[C@@H]1CCCC[C@H]1Oc1[n-]c(=S)ncc1C1CC1 ZINC001226120779 817278570 /nfs/dbraw/zinc/27/85/70/817278570.db2.gz UFGRSVCBGFSNDE-GHMZBOCLSA-N -1 3 268.357 3.302 20 0 CGADHM Cc1ccc([C@H](C)Oc2[n-]c(=S)ncc2C2CC2)cn1 ZINC001226119838 817278700 /nfs/dbraw/zinc/27/87/00/817278700.db2.gz PBOZPFGGTCTGCN-JTQLQIEISA-N -1 3 287.388 3.486 20 0 CGADHM S=c1ncc(C2CC2)c(O[C@@H]2CCc3cccnc32)[n-]1 ZINC001226118174 817278762 /nfs/dbraw/zinc/27/87/62/817278762.db2.gz BZAAMOPDNHXWEX-GFCCVEGCSA-N -1 3 285.372 3.104 20 0 CGADHM O=c1cc(O[C@@H]2CCC(F)(F)C2)nc(-c2ccccc2)[n-]1 ZINC001226185466 817293502 /nfs/dbraw/zinc/29/35/02/817293502.db2.gz WVXXFPSENMRMKZ-LLVKDONJSA-N -1 3 292.285 3.416 20 0 CGADHM CC(=O)c1cnc(=O)[n-]c1O[C@H](C)c1cccc(Cl)c1 ZINC001226238342 817306580 /nfs/dbraw/zinc/30/65/80/817306580.db2.gz RJLXAYQDNUAORC-SECBINFHSA-N -1 3 292.722 3.178 20 0 CGADHM Cc1nnc(=O)[n-]c1O[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC001226461188 817364133 /nfs/dbraw/zinc/36/41/33/817364133.db2.gz KQKTXXBZCTYGAZ-QMMMGPOBSA-N -1 3 299.252 3.044 20 0 CGADHM CCc1nc(O[C@H]2CCc3ccc(C)cc32)cc(=O)[n-]1 ZINC001226473420 817368309 /nfs/dbraw/zinc/36/83/09/817368309.db2.gz XCUMCOPLWZBCKM-ZDUSSCGKSA-N -1 3 270.332 3.119 20 0 CGADHM CCc1nc(O[C@@H](C)c2ccc(OC)cc2F)cc(=O)[n-]1 ZINC001226476918 817370326 /nfs/dbraw/zinc/37/03/26/817370326.db2.gz UMQXXHBVUYCWAI-VIFPVBQESA-N -1 3 292.310 3.032 20 0 CGADHM Cc1nc(O[C@H](c2ccccc2)c2ccccn2)cc(=O)[n-]1 ZINC001226509715 817379887 /nfs/dbraw/zinc/37/98/87/817379887.db2.gz CDKHYLDEWCLHPQ-QGZVFWFLSA-N -1 3 293.326 3.054 20 0 CGADHM Cc1ccc(COc2cc(=O)[n-]c(C)n2)c(OC(C)C)c1 ZINC001226512282 817381655 /nfs/dbraw/zinc/38/16/55/817381655.db2.gz PGDXNHGJUYCBTR-UHFFFAOYSA-N -1 3 288.347 3.165 20 0 CGADHM CC[C@H](Oc1c([O-])ccc2ccc(=O)oc21)C(C)C ZINC001226600554 817409450 /nfs/dbraw/zinc/40/94/50/817409450.db2.gz YAALNCUDIQOOMK-LBPRGKRZSA-N -1 3 262.305 3.312 20 0 CGADHM C[C@@H](Oc1c([O-])ccc2ccc(=O)oc21)c1ccncc1 ZINC001226596576 817409489 /nfs/dbraw/zinc/40/94/89/817409489.db2.gz MNVFBQIZHKHVHE-SNVBAGLBSA-N -1 3 283.283 3.034 20 0 CGADHM C[C@@H](Cc1ccco1)Oc1c([O-])ccc2ccc(=O)oc21 ZINC001226600276 817409678 /nfs/dbraw/zinc/40/96/78/817409678.db2.gz VZQHRXJDUXDOSA-JTQLQIEISA-N -1 3 286.283 3.102 20 0 CGADHM C[C@H](Oc1c([O-])ccc2ccc(=O)oc21)c1ccncc1 ZINC001226596575 817410154 /nfs/dbraw/zinc/41/01/54/817410154.db2.gz MNVFBQIZHKHVHE-JTQLQIEISA-N -1 3 283.283 3.034 20 0 CGADHM Cc1cn2c(n1)[C@@H](Oc1cccc([O-])c1Cl)CCC2 ZINC001226709039 817440946 /nfs/dbraw/zinc/44/09/46/817440946.db2.gz KTTIITDUIMLCLR-LBPRGKRZSA-N -1 3 278.739 3.464 20 0 CGADHM CCOC(=O)[C@H]1CCC[C@H]1Oc1cccc([O-])c1Cl ZINC001226710968 817442068 /nfs/dbraw/zinc/44/20/68/817442068.db2.gz FVVNRZUSAYZHBO-GXSJLCMTSA-N -1 3 284.739 3.156 20 0 CGADHM Nc1ccnc(-c2ccc(C(=O)[O-])c(C(F)(F)F)c2)c1 ZINC001243152252 823266685 /nfs/dbraw/zinc/26/66/85/823266685.db2.gz DBRPHLLOZZIFFQ-UHFFFAOYSA-N -1 3 282.221 3.048 20 0 CGADHM C[C@H](Oc1ccnc(=S)[n-]1)c1ccc(F)cc1 ZINC001226936900 817509921 /nfs/dbraw/zinc/50/99/21/817509921.db2.gz MTQJNYKKVUMOJL-QMMMGPOBSA-N -1 3 250.298 3.044 20 0 CGADHM Cc1ccc(Cl)cc1[C@@H](C)Oc1cc(=O)[n-]cn1 ZINC001226944483 817512266 /nfs/dbraw/zinc/51/22/66/817512266.db2.gz GQHGPOBIUYHEPD-SECBINFHSA-N -1 3 264.712 3.284 20 0 CGADHM C[C@@H](Oc1cnc[n-]c1=O)c1cccc(C(F)(F)F)c1 ZINC001227048275 817543040 /nfs/dbraw/zinc/54/30/40/817543040.db2.gz BQPOMWIBVZKDJO-MRVPVSSYSA-N -1 3 284.237 3.341 20 0 CGADHM CC[C@H](Oc1cnc[n-]c1=O)c1cccc(F)c1C ZINC001227051586 817544985 /nfs/dbraw/zinc/54/49/85/817544985.db2.gz MDWXWVAHHWJAOG-LBPRGKRZSA-N -1 3 262.284 3.160 20 0 CGADHM CCc1cnc(=S)[n-]c1O[C@@H](C)c1ccc(OC)cc1 ZINC001227060884 817547107 /nfs/dbraw/zinc/54/71/07/817547107.db2.gz GMYGFCYQPXCYRQ-JTQLQIEISA-N -1 3 290.388 3.476 20 0 CGADHM CCCc1cc(O[C@@H](C)c2cccnc2F)[n-]c(=S)n1 ZINC001227421692 817645061 /nfs/dbraw/zinc/64/50/61/817645061.db2.gz ICKQGQGEGOPOLB-VIFPVBQESA-N -1 3 293.367 3.392 20 0 CGADHM COC(C)(C)C[C@H](C)Oc1cc(=O)cc(C(F)(F)F)[n-]1 ZINC001227584884 817676210 /nfs/dbraw/zinc/67/62/10/817676210.db2.gz XEJFJHNCUQXKIC-QMMMGPOBSA-N -1 3 293.285 3.388 20 0 CGADHM CCC(CC)[C@@H](CC)Oc1nc(C(=O)OC)ccc1[O-] ZINC001227819963 817726552 /nfs/dbraw/zinc/72/65/52/817726552.db2.gz KGYYPCDXOFMYCH-CYBMUJFWSA-N -1 3 281.352 3.167 20 0 CGADHM Cc1cnc(F)c([C@@H](C)Oc2ncc(Cl)cc2[O-])c1 ZINC001227983925 817773171 /nfs/dbraw/zinc/77/31/71/817773171.db2.gz WUPPTBKJWPMLQU-MRVPVSSYSA-N -1 3 282.702 3.423 20 0 CGADHM Cc1ccc([C@@H](C)Oc2[n-]c(=O)nc3cccnc32)cc1 ZINC001228004333 817780685 /nfs/dbraw/zinc/78/06/85/817780685.db2.gz JRQMUNJDQKBVPF-LLVKDONJSA-N -1 3 281.315 3.179 20 0 CGADHM CCCc1c([O-])ccc(C(C)=O)c1OCC[C@H](C)OC ZINC001228134120 817820707 /nfs/dbraw/zinc/82/07/07/817820707.db2.gz NBHNXLSSFPEDJA-NSHDSACASA-N -1 3 280.364 3.351 20 0 CGADHM Cc1cc(-c2cnccc2/C=C/N(C)C)ccc1C(=O)[O-] ZINC001243218037 823297284 /nfs/dbraw/zinc/29/72/84/823297284.db2.gz SAOAMOAWFMNWOU-VQHVLOKHSA-N -1 3 282.343 3.288 20 0 CGADHM Cc1cc(=O)oc2c1ccc([O-])c2OC1CCCC1 ZINC001228621543 817955996 /nfs/dbraw/zinc/95/59/96/817955996.db2.gz CBRPMYHNADCWQE-UHFFFAOYSA-N -1 3 260.289 3.128 20 0 CGADHM Cc1cc(=O)oc2c1ccc([O-])c2O[C@@H](C)C1CCC1 ZINC001228630812 817957539 /nfs/dbraw/zinc/95/75/39/817957539.db2.gz UZQWSXAHDNNIMG-JTQLQIEISA-N -1 3 274.316 3.374 20 0 CGADHM C[C@H]1C[C@H](Oc2nnc(-c3cccnc3)[n-]2)C[C@@H](C)C1 ZINC001228695613 817975805 /nfs/dbraw/zinc/97/58/05/817975805.db2.gz NPQUCJMZVIIVRY-PJXYFTJBSA-N -1 3 272.352 3.070 20 0 CGADHM C[C@H]1C[C@H](Oc2nc(-c3cccnc3)n[n-]2)C[C@@H](C)C1 ZINC001228695613 817975813 /nfs/dbraw/zinc/97/58/13/817975813.db2.gz NPQUCJMZVIIVRY-PJXYFTJBSA-N -1 3 272.352 3.070 20 0 CGADHM C[C@H]1C[C@H](Oc2n[n-]c(-c3cccnc3)n2)C[C@@H](C)C1 ZINC001228695613 817975818 /nfs/dbraw/zinc/97/58/18/817975818.db2.gz NPQUCJMZVIIVRY-PJXYFTJBSA-N -1 3 272.352 3.070 20 0 CGADHM Cc1ccc2c(c1)CC[C@@H]2Oc1n[n-]c(-c2ccncc2)n1 ZINC001228697082 817976605 /nfs/dbraw/zinc/97/66/05/817976605.db2.gz HHSAHLHRMRXWJJ-HNNXBMFYSA-N -1 3 292.342 3.241 20 0 CGADHM CC[C@@H](Oc1n[n-]c(-c2ccncc2)n1)c1ccccc1 ZINC001228696890 817978345 /nfs/dbraw/zinc/97/83/45/817978345.db2.gz DOBINWKHAJAMJT-CQSZACIVSA-N -1 3 280.331 3.397 20 0 CGADHM CC[C@H]1CC[C@H](Oc2nnc(-c3cccnc3)[n-]2)CC1 ZINC001228698773 817979556 /nfs/dbraw/zinc/97/95/56/817979556.db2.gz RYCYCDJAVOFHGE-AULYBMBSSA-N -1 3 272.352 3.214 20 0 CGADHM CC[C@H]1CC[C@H](Oc2nc(-c3cccnc3)n[n-]2)CC1 ZINC001228698773 817979560 /nfs/dbraw/zinc/97/95/60/817979560.db2.gz RYCYCDJAVOFHGE-AULYBMBSSA-N -1 3 272.352 3.214 20 0 CGADHM CC[C@H]1CC[C@H](Oc2n[n-]c(-c3cccnc3)n2)CC1 ZINC001228698773 817979566 /nfs/dbraw/zinc/97/95/66/817979566.db2.gz RYCYCDJAVOFHGE-AULYBMBSSA-N -1 3 272.352 3.214 20 0 CGADHM CCCCOC[C@@H](C)Oc1cc2c(cc1[O-])CCC2=O ZINC001228854352 818023286 /nfs/dbraw/zinc/02/32/86/818023286.db2.gz RNPSWEAKSJUDFL-LLVKDONJSA-N -1 3 278.348 3.105 20 0 CGADHM CCC[C@H](Oc1cccc(-c2nnn[n-]2)c1)C(C)C ZINC001231117439 818034246 /nfs/dbraw/zinc/03/42/46/818034246.db2.gz AXUBRGOWUJWNOL-ZDUSSCGKSA-N -1 3 260.341 3.070 20 0 CGADHM CCC[C@H](Oc1cccc(-c2nn[n-]n2)c1)C(C)C ZINC001231117439 818034248 /nfs/dbraw/zinc/03/42/48/818034248.db2.gz AXUBRGOWUJWNOL-ZDUSSCGKSA-N -1 3 260.341 3.070 20 0 CGADHM C[C@H](Oc1cccc(-c2nnn[n-]2)c1)c1ccccc1F ZINC001231116740 818034555 /nfs/dbraw/zinc/03/45/55/818034555.db2.gz QSTWZLNGZLFZKJ-JTQLQIEISA-N -1 3 284.294 3.146 20 0 CGADHM C[C@H](Oc1cccc(-c2nn[n-]n2)c1)c1ccccc1F ZINC001231116740 818034559 /nfs/dbraw/zinc/03/45/59/818034559.db2.gz QSTWZLNGZLFZKJ-JTQLQIEISA-N -1 3 284.294 3.146 20 0 CGADHM C[C@@H]1CC[C@H](C)[C@@H](Oc2cccc(-c3nnn[n-]3)c2)C1 ZINC001231118499 818035831 /nfs/dbraw/zinc/03/58/31/818035831.db2.gz PRHONVHRQMIDBL-SUNKGSAMSA-N -1 3 272.352 3.070 20 0 CGADHM C[C@@H]1CC[C@H](C)[C@@H](Oc2cccc(-c3nn[n-]n3)c2)C1 ZINC001231118499 818035835 /nfs/dbraw/zinc/03/58/35/818035835.db2.gz PRHONVHRQMIDBL-SUNKGSAMSA-N -1 3 272.352 3.070 20 0 CGADHM COCC[C@H]1CCCCN1Cc1ccc(F)c([O-])c1F ZINC001232936553 818477151 /nfs/dbraw/zinc/47/71/51/818477151.db2.gz SZJZXWJEEFDENH-GFCCVEGCSA-N -1 3 285.334 3.061 20 0 CGADHM C[C@H]1CCCN(Cc2cc(Cl)ncc2[O-])[C@H]1C ZINC001233036333 818504816 /nfs/dbraw/zinc/50/48/16/818504816.db2.gz OXINSOBWGDPNFO-UWVGGRQHSA-N -1 3 254.761 3.061 20 0 CGADHM Cc1ccccc1CN(C)Cc1cccc([O-])c1F ZINC001233052049 818510976 /nfs/dbraw/zinc/51/09/76/818510976.db2.gz FFMZOPXXAFLTIH-UHFFFAOYSA-N -1 3 259.324 3.472 20 0 CGADHM [O-]c1cccc(CN2CCc3ccc(F)cc3C2)c1F ZINC001233054029 818512458 /nfs/dbraw/zinc/51/24/58/818512458.db2.gz XYNSFHHOITUHNC-UHFFFAOYSA-N -1 3 275.298 3.229 20 0 CGADHM C[C@@H]1CCC[C@H](C)N1Cc1c(F)ccc([O-])c1F ZINC001233393259 818608892 /nfs/dbraw/zinc/60/88/92/818608892.db2.gz LOPFMHNSMZVNHQ-AOOOYVTPSA-N -1 3 255.308 3.433 20 0 CGADHM CN(Cc1c(F)ccc([O-])c1F)CC1CC(F)(F)C1 ZINC001233396242 818610028 /nfs/dbraw/zinc/61/00/28/818610028.db2.gz RIBJPTLKVBEOMT-UHFFFAOYSA-N -1 3 277.261 3.148 20 0 CGADHM CC(C)N(CCCCCO)Cc1c(F)ccc([O-])c1F ZINC001233396536 818611188 /nfs/dbraw/zinc/61/11/88/818611188.db2.gz IIALGMNWUSHLDZ-UHFFFAOYSA-N -1 3 287.350 3.043 20 0 CGADHM CCOC(=O)[C@H](Oc1cc(Cl)c([O-])cc1C)C1CC1 ZINC001233595618 818653636 /nfs/dbraw/zinc/65/36/36/818653636.db2.gz SAOTWAHDGDWOQP-CYBMUJFWSA-N -1 3 284.739 3.075 20 0 CGADHM C[C@H](Oc1ccc2occ([O-])c2c1)c1cccnc1Cl ZINC001233677637 818677456 /nfs/dbraw/zinc/67/74/56/818677456.db2.gz MAPWGOXQYFCBOU-VIFPVBQESA-N -1 3 289.718 3.450 20 0 CGADHM O=C1CC[C@@H](Oc2ccc3occ([O-])c3c2)c2ccccc21 ZINC001233678925 818678663 /nfs/dbraw/zinc/67/86/63/818678663.db2.gz XJDYMXFJPVPHGP-GOSISDBHSA-N -1 3 294.306 3.358 20 0 CGADHM CCCC(=O)[C@@H](CCC)Oc1cccc([O-])c1F ZINC001233870497 818721139 /nfs/dbraw/zinc/72/11/39/818721139.db2.gz DOWWQYZTAPRORR-GFCCVEGCSA-N -1 3 254.301 3.448 20 0 CGADHM CC(C)=CCC[C@@H](C)Oc1cccc([O-])c1C(N)=O ZINC001234150574 818793089 /nfs/dbraw/zinc/79/30/89/818793089.db2.gz WGVZRLNGEAWKGB-LLVKDONJSA-N -1 3 263.337 3.005 20 0 CGADHM CCC[C@@H](Oc1c(Cl)ccc([O-])c1F)C(=O)OCC ZINC001234263490 818820029 /nfs/dbraw/zinc/82/00/29/818820029.db2.gz CBTCVHQRRWBCEY-SNVBAGLBSA-N -1 3 290.718 3.295 20 0 CGADHM [O-]c1ccc(Cl)c(OC[C@@H]2CCCCO2)c1F ZINC001234265407 818821265 /nfs/dbraw/zinc/82/12/65/818821265.db2.gz VHSFJOHXMQRNAO-QMMMGPOBSA-N -1 3 260.692 3.133 20 0 CGADHM CSc1cccc(-c2ccc(=S)[n-]n2)c1F ZINC001243358304 823366780 /nfs/dbraw/zinc/36/67/80/823366780.db2.gz NQAJYOSEMMWGSF-UHFFFAOYSA-N -1 3 252.339 3.293 20 0 CGADHM [O-]c1cc(Cl)cc(F)c1OC[C@@H]1CCCCO1 ZINC001234447012 818857700 /nfs/dbraw/zinc/85/77/00/818857700.db2.gz IFJILROOXMJWJK-VIFPVBQESA-N -1 3 260.692 3.133 20 0 CGADHM COc1ccccc1[C@@H](C)Oc1nc2c(cccc2[O-])[nH]1 ZINC001234449232 818859661 /nfs/dbraw/zinc/85/96/61/818859661.db2.gz JTCLFUGRDIWXGN-SNVBAGLBSA-N -1 3 284.315 3.417 20 0 CGADHM O=c1[n-]cnc(O[C@H]2C=CCCC2)c1-c1ccccc1 ZINC001234690831 818916957 /nfs/dbraw/zinc/91/69/57/818916957.db2.gz FLDHPUDRRSNERW-ZDUSSCGKSA-N -1 3 268.316 3.337 20 0 CGADHM CC(C)Oc1cc(COc2nc3ccsc3[n-]2)ccn1 ZINC001234856110 818935620 /nfs/dbraw/zinc/93/56/20/818935620.db2.gz VWKXPMNZNZLFDE-UHFFFAOYSA-N -1 3 289.360 3.386 20 0 CGADHM CC(C)Oc1cc(COc2nc3sccc3[n-]2)ccn1 ZINC001234856110 818935627 /nfs/dbraw/zinc/93/56/27/818935627.db2.gz VWKXPMNZNZLFDE-UHFFFAOYSA-N -1 3 289.360 3.386 20 0 CGADHM Fc1cc(-c2nnn[n-]2)cc(-c2ccc(Cl)cc2)c1 ZINC001236097094 819315664 /nfs/dbraw/zinc/31/56/64/819315664.db2.gz FPSJADYAKFBAMU-UHFFFAOYSA-N -1 3 274.686 3.326 20 0 CGADHM Fc1cc(-c2nn[n-]n2)cc(-c2ccc(Cl)cc2)c1 ZINC001236097094 819315669 /nfs/dbraw/zinc/31/56/69/819315669.db2.gz FPSJADYAKFBAMU-UHFFFAOYSA-N -1 3 274.686 3.326 20 0 CGADHM Cc1ccc(F)c(-c2ccc(S(C)(=O)=O)cc2F)c1[O-] ZINC001236405929 819454331 /nfs/dbraw/zinc/45/43/31/819454331.db2.gz LUKMIAAEDWVNQT-UHFFFAOYSA-N -1 3 298.310 3.049 20 0 CGADHM [O-]c1cc(CN2C3CCC2CC3)ccc1Br ZINC001236687286 819571162 /nfs/dbraw/zinc/57/11/62/819571162.db2.gz LCPWTXPFCHAQTR-UHFFFAOYSA-N -1 3 282.181 3.282 20 0 CGADHM [O-]c1cc(CN2CCC[C@@H]2c2nccs2)ccc1F ZINC001236710079 819579094 /nfs/dbraw/zinc/57/90/94/819579094.db2.gz JAPUFABGZXPIIM-GFCCVEGCSA-N -1 3 278.352 3.325 20 0 CGADHM CN(CCOc1ccccc1)Cc1sc(=O)[n-]c1Cl ZINC001237150944 819679752 /nfs/dbraw/zinc/67/97/52/819679752.db2.gz KMNPKVIZIDRMKN-UHFFFAOYSA-N -1 3 298.795 3.013 20 0 CGADHM CN(CCC(=O)c1ccccc1)Cc1occc1[S-] ZINC001237192204 819694799 /nfs/dbraw/zinc/69/47/99/819694799.db2.gz QKQACDRVEABTPF-UHFFFAOYSA-N -1 3 275.373 3.273 20 0 CGADHM [O-]c1cc(F)cc(CN2Cc3ccc(F)cc3C2)c1 ZINC001237280669 819718237 /nfs/dbraw/zinc/71/82/37/819718237.db2.gz MFXRSVKXWDTHPZ-UHFFFAOYSA-N -1 3 261.271 3.186 20 0 CGADHM C[C@H]1C(=O)Nc2ccc(-c3cccc([O-])c3F)cc21 ZINC001243544618 823437324 /nfs/dbraw/zinc/43/73/24/823437324.db2.gz IJYKKCIHNYWNAN-MRVPVSSYSA-N -1 3 257.264 3.254 20 0 CGADHM O=C1CCc2cc(-c3cccc([O-])c3F)ccc2N1 ZINC001243544093 823437563 /nfs/dbraw/zinc/43/75/63/823437563.db2.gz AWAFROUAPDXSEL-UHFFFAOYSA-N -1 3 257.264 3.083 20 0 CGADHM COC(=O)c1ccc(N(C)C)c(-c2cccc([O-])c2F)c1 ZINC001243545607 823437826 /nfs/dbraw/zinc/43/78/26/823437826.db2.gz NXOSHSXXWLOWOZ-UHFFFAOYSA-N -1 3 289.306 3.051 20 0 CGADHM COC(=O)c1cc(-c2cccc([O-])c2F)c(OC)cc1C ZINC001243545249 823438027 /nfs/dbraw/zinc/43/80/27/823438027.db2.gz AAFCAXXHNMBCFT-UHFFFAOYSA-N -1 3 290.290 3.302 20 0 CGADHM COC(=O)c1cc(-c2cccc([O-])c2F)c(C)cc1OC ZINC001243547585 823439989 /nfs/dbraw/zinc/43/99/89/823439989.db2.gz SPXWJSHSDALHGJ-UHFFFAOYSA-N -1 3 290.290 3.302 20 0 CGADHM CCOc1cc(-c2ccc(=S)[n-]n2)ccc1Cl ZINC001243572037 823450114 /nfs/dbraw/zinc/45/01/14/823450114.db2.gz GQKORGNRWMEPRX-UHFFFAOYSA-N -1 3 266.753 3.484 20 0 CGADHM Cc1cc(-c2nnn[n-]2)ccc1-c1cccc(F)c1F ZINC001239708349 820536458 /nfs/dbraw/zinc/53/64/58/820536458.db2.gz FBHNDHFUTOXKPF-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM Cc1cc(-c2nn[n-]n2)ccc1-c1cccc(F)c1F ZINC001239708349 820536463 /nfs/dbraw/zinc/53/64/63/820536463.db2.gz FBHNDHFUTOXKPF-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM c1cc2cnccc2c(-c2ccc(-c3nnn[n-]3)cc2)c1 ZINC001240008810 820776406 /nfs/dbraw/zinc/77/64/06/820776406.db2.gz ATTMSEHJFQEBND-UHFFFAOYSA-N -1 3 273.299 3.082 20 0 CGADHM c1cc2cnccc2c(-c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001240008810 820776413 /nfs/dbraw/zinc/77/64/13/820776413.db2.gz ATTMSEHJFQEBND-UHFFFAOYSA-N -1 3 273.299 3.082 20 0 CGADHM Cc1cc(-c2ccc(-c3nnn[n-]3)c(F)c2)c(C)s1 ZINC001240430606 821050286 /nfs/dbraw/zinc/05/02/86/821050286.db2.gz DCUBIIXCNIJEQH-UHFFFAOYSA-N -1 3 274.324 3.351 20 0 CGADHM Cc1cc(-c2ccc(-c3nn[n-]n3)c(F)c2)c(C)s1 ZINC001240430606 821050292 /nfs/dbraw/zinc/05/02/92/821050292.db2.gz DCUBIIXCNIJEQH-UHFFFAOYSA-N -1 3 274.324 3.351 20 0 CGADHM COc1cc(F)c(-c2cc(F)ccc2[O-])c(F)c1 ZINC001240696995 821253733 /nfs/dbraw/zinc/25/37/33/821253733.db2.gz YEWJHLMTNCXGKG-UHFFFAOYSA-N -1 3 254.207 3.485 20 0 CGADHM CN1CCOc2cc(-c3ccc([O-])c(F)c3)ccc21 ZINC001240787307 821329240 /nfs/dbraw/zinc/32/92/40/821329240.db2.gz WYBFQZVZAXHPOY-UHFFFAOYSA-N -1 3 259.280 3.027 20 0 CGADHM O=c1ccc2cc(-c3ccc([O-])c(F)c3)ccc2o1 ZINC001240787249 821329752 /nfs/dbraw/zinc/32/97/52/821329752.db2.gz UARZSXJUNNESRN-UHFFFAOYSA-N -1 3 256.232 3.305 20 0 CGADHM CC1(C)CNC(=O)c2ccc(-c3ccc([O-])c(F)c3)cc21 ZINC001240789788 821332316 /nfs/dbraw/zinc/33/23/16/821332316.db2.gz FCUJKGSZBSQDLC-UHFFFAOYSA-N -1 3 285.318 3.219 20 0 CGADHM COc1cc2ncc(-c3ccccc3[O-])nc2cc1OC ZINC001241003483 821482262 /nfs/dbraw/zinc/48/22/62/821482262.db2.gz PNFWSZLWIXEVCV-UHFFFAOYSA-N -1 3 282.299 3.020 20 0 CGADHM CCOC(=O)c1c(C)cc(-c2ccccc2[O-])nc1C ZINC001241003929 821483457 /nfs/dbraw/zinc/48/34/57/821483457.db2.gz XOHDMEVJUMTWFH-UHFFFAOYSA-N -1 3 271.316 3.248 20 0 CGADHM Cc1cc(-c2ccccc2[O-])nc(-c2ccncc2)n1 ZINC001241007430 821484554 /nfs/dbraw/zinc/48/45/54/821484554.db2.gz AISNEFJIUFMGII-UHFFFAOYSA-N -1 3 263.300 3.220 20 0 CGADHM CC[C@H](C)Oc1nccnc1-c1ccc(C)cc1[O-] ZINC001241036282 821511416 /nfs/dbraw/zinc/51/14/16/821511416.db2.gz TYDXLPDDIJRTRF-NSHDSACASA-N -1 3 258.321 3.335 20 0 CGADHM CC[C@@H](C)Oc1nccnc1-c1ccc(C)cc1[O-] ZINC001241036281 821511754 /nfs/dbraw/zinc/51/17/54/821511754.db2.gz TYDXLPDDIJRTRF-LLVKDONJSA-N -1 3 258.321 3.335 20 0 CGADHM Cc1ccc(-c2cncc(N3CCC(C)CC3)n2)c([O-])c1 ZINC001241035641 821511849 /nfs/dbraw/zinc/51/18/49/821511849.db2.gz DKLWTWGIPCNNTI-UHFFFAOYSA-N -1 3 283.375 3.394 20 0 CGADHM Cc1cc(-c2nnn[n-]2)ccc1-c1cc(F)cc(F)c1F ZINC001241100310 821558205 /nfs/dbraw/zinc/55/82/05/821558205.db2.gz CAFBYXCGCLOYOG-UHFFFAOYSA-N -1 3 290.248 3.259 20 0 CGADHM Cc1cc(-c2nn[n-]n2)ccc1-c1cc(F)cc(F)c1F ZINC001241100310 821558209 /nfs/dbraw/zinc/55/82/09/821558209.db2.gz CAFBYXCGCLOYOG-UHFFFAOYSA-N -1 3 290.248 3.259 20 0 CGADHM CCOc1ccc(F)cc1-c1cccc(-c2nnn[n-]2)c1 ZINC001241104612 821561097 /nfs/dbraw/zinc/56/10/97/821561097.db2.gz KZEVOVDLYJXUAP-UHFFFAOYSA-N -1 3 284.294 3.072 20 0 CGADHM CCOc1ccc(F)cc1-c1cccc(-c2nn[n-]n2)c1 ZINC001241104612 821561098 /nfs/dbraw/zinc/56/10/98/821561098.db2.gz KZEVOVDLYJXUAP-UHFFFAOYSA-N -1 3 284.294 3.072 20 0 CGADHM Cc1ccc(C)c(-c2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC001241193330 821629409 /nfs/dbraw/zinc/62/94/09/821629409.db2.gz VKESGXHIVHWZOG-UHFFFAOYSA-N -1 3 268.295 3.290 20 0 CGADHM Cc1ccc(C)c(-c2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC001241193330 821629412 /nfs/dbraw/zinc/62/94/12/821629412.db2.gz VKESGXHIVHWZOG-UHFFFAOYSA-N -1 3 268.295 3.290 20 0 CGADHM [O-]c1cc(F)cc(-c2ncnc3cccc(F)c32)c1 ZINC001241255971 821675539 /nfs/dbraw/zinc/67/55/39/821675539.db2.gz IJZHZUXQVHSHGE-UHFFFAOYSA-N -1 3 258.227 3.281 20 0 CGADHM COC(=O)c1c(F)ccc(-c2cc([O-])cc(F)c2)c1F ZINC001241271386 821689504 /nfs/dbraw/zinc/68/95/04/821689504.db2.gz FFNBPAXTPNVIMY-UHFFFAOYSA-N -1 3 282.217 3.263 20 0 CGADHM COC(=O)c1cc2c(cccc2-c2cc([O-])cc(F)c2)[nH]1 ZINC001241271530 821689661 /nfs/dbraw/zinc/68/96/61/821689661.db2.gz HCAMFUGMQAWNCD-UHFFFAOYSA-N -1 3 285.274 3.466 20 0 CGADHM COC(=O)c1cc(-c2cc([O-])cc(F)c2)c(F)cc1OC ZINC001241272016 821691449 /nfs/dbraw/zinc/69/14/49/821691449.db2.gz YAJBDAYAWMCLIM-UHFFFAOYSA-N -1 3 294.253 3.133 20 0 CGADHM [O-]c1cc(F)cc(-c2ccc3[nH]c(=S)[nH]c3c2)c1 ZINC001241277120 821695905 /nfs/dbraw/zinc/69/59/05/821695905.db2.gz GQRXZYLSMLSIKD-UHFFFAOYSA-N -1 3 260.293 3.363 20 0 CGADHM CC(C)c1nnc2ccc(-c3cc([O-])cc(F)c3)cn21 ZINC001241277657 821696847 /nfs/dbraw/zinc/69/68/47/821696847.db2.gz NSGNQGIELSIRBN-UHFFFAOYSA-N -1 3 271.295 3.364 20 0 CGADHM COc1ccnc2cc(-c3cc([O-])cc(F)c3)cnc21 ZINC001241283754 821703125 /nfs/dbraw/zinc/70/31/25/821703125.db2.gz ZALQGHPQBCMPFO-UHFFFAOYSA-N -1 3 270.263 3.150 20 0 CGADHM CCOC(=O)Cc1ccccc1-c1c(F)ccc([O-])c1F ZINC001241291033 821708239 /nfs/dbraw/zinc/70/82/39/821708239.db2.gz HGFWBEMJOBEXDR-UHFFFAOYSA-N -1 3 292.281 3.443 20 0 CGADHM COC(=O)c1ccc(-c2c(F)ccc([O-])c2F)c(C)c1 ZINC001241293139 821710559 /nfs/dbraw/zinc/71/05/59/821710559.db2.gz RGBNBAPKSQVWPA-UHFFFAOYSA-N -1 3 278.254 3.432 20 0 CGADHM [O-]c1ccc(F)c(-c2ccnc(OC(F)F)c2)c1F ZINC001241292981 821710571 /nfs/dbraw/zinc/71/05/71/821710571.db2.gz LTYYXZKGWNQLNL-UHFFFAOYSA-N -1 3 273.185 3.334 20 0 CGADHM COc1ccc(-c2cccc(C(=O)[O-])c2)cc1CN(C)C ZINC001241360859 821761501 /nfs/dbraw/zinc/76/15/01/821761501.db2.gz QNRHXJJJWWFWCH-UHFFFAOYSA-N -1 3 285.343 3.122 20 0 CGADHM c1cc2ccnc(-c3ccc(-c4nnn[n-]4)cc3)c2s1 ZINC001241441366 821836114 /nfs/dbraw/zinc/83/61/14/821836114.db2.gz IVQUZUGGZVUZNT-UHFFFAOYSA-N -1 3 279.328 3.143 20 0 CGADHM c1cc2ccnc(-c3ccc(-c4nn[n-]n4)cc3)c2s1 ZINC001241441366 821836117 /nfs/dbraw/zinc/83/61/17/821836117.db2.gz IVQUZUGGZVUZNT-UHFFFAOYSA-N -1 3 279.328 3.143 20 0 CGADHM CCc1cc2c(ccnc2-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC001241442679 821837288 /nfs/dbraw/zinc/83/72/88/821837288.db2.gz BQJJNLFAMNYYKL-UHFFFAOYSA-N -1 3 291.314 3.237 20 0 CGADHM CCc1cc2c(ccnc2-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC001241442679 821837295 /nfs/dbraw/zinc/83/72/95/821837295.db2.gz BQJJNLFAMNYYKL-UHFFFAOYSA-N -1 3 291.314 3.237 20 0 CGADHM Cc1nc2cc(-c3ccc(-c4nnn[n-]4)cc3)ccc2s1 ZINC001241443536 821837380 /nfs/dbraw/zinc/83/73/80/821837380.db2.gz FYLWSRBYIQEVRD-UHFFFAOYSA-N -1 3 293.355 3.452 20 0 CGADHM Cc1nc2cc(-c3ccc(-c4nn[n-]n4)cc3)ccc2s1 ZINC001241443536 821837389 /nfs/dbraw/zinc/83/73/89/821837389.db2.gz FYLWSRBYIQEVRD-UHFFFAOYSA-N -1 3 293.355 3.452 20 0 CGADHM c1cc(-c2ccc(-c3nnn[n-]3)cc2)ccc1OC1CCC1 ZINC001241444515 821837994 /nfs/dbraw/zinc/83/79/94/821837994.db2.gz FGDYQEXFAGLDSZ-UHFFFAOYSA-N -1 3 292.342 3.465 20 0 CGADHM c1cc(-c2ccc(-c3nn[n-]n3)cc2)ccc1OC1CCC1 ZINC001241444515 821837999 /nfs/dbraw/zinc/83/79/99/821837999.db2.gz FGDYQEXFAGLDSZ-UHFFFAOYSA-N -1 3 292.342 3.465 20 0 CGADHM Cc1ccc2nccc(-c3ccc(-c4nnn[n-]4)cc3)c2c1 ZINC001241445994 821839675 /nfs/dbraw/zinc/83/96/75/821839675.db2.gz ZNSSTEUOQFHPCU-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM Cc1ccc2nccc(-c3ccc(-c4nn[n-]n4)cc3)c2c1 ZINC001241445994 821839681 /nfs/dbraw/zinc/83/96/81/821839681.db2.gz ZNSSTEUOQFHPCU-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM Cc1n[nH]c2ccc(-c3ccc(-c4nn[n-]n4)cc3C)cc12 ZINC001241671767 822055681 /nfs/dbraw/zinc/05/56/81/822055681.db2.gz OHUKBHJMQWKMCG-UHFFFAOYSA-N -1 3 290.330 3.027 20 0 CGADHM COc1ccc(C)c(-c2ccc(-c3nnn[n-]3)cc2C)c1 ZINC001241680208 822062400 /nfs/dbraw/zinc/06/24/00/822062400.db2.gz HVPUFTQVNSRAOM-UHFFFAOYSA-N -1 3 280.331 3.159 20 0 CGADHM COc1ccc(C)c(-c2ccc(-c3nn[n-]n3)cc2C)c1 ZINC001241680208 822062410 /nfs/dbraw/zinc/06/24/10/822062410.db2.gz HVPUFTQVNSRAOM-UHFFFAOYSA-N -1 3 280.331 3.159 20 0 CGADHM OCc1cc(-c2ccc3c(c2)[N-]C(=S)C3)ccc1F ZINC001241796930 822148519 /nfs/dbraw/zinc/14/85/19/822148519.db2.gz CBFUUYCVFGWMLZ-UHFFFAOYSA-N -1 3 273.332 3.280 20 0 CGADHM CO[C@H](C)c1cccc(-c2cc(F)cc(-c3nnn[n-]3)c2)c1 ZINC001242039982 822300243 /nfs/dbraw/zinc/30/02/43/822300243.db2.gz GLHOPGNYFZTMNF-SNVBAGLBSA-N -1 3 298.321 3.380 20 0 CGADHM CO[C@H](C)c1cccc(-c2cc(F)cc(-c3nn[n-]n3)c2)c1 ZINC001242039982 822300252 /nfs/dbraw/zinc/30/02/52/822300252.db2.gz GLHOPGNYFZTMNF-SNVBAGLBSA-N -1 3 298.321 3.380 20 0 CGADHM Cc1ncncc1-c1ccc([O-])c(C(F)(F)F)c1 ZINC001242158378 822898854 /nfs/dbraw/zinc/89/88/54/822898854.db2.gz VRUMDPVNMIGUHY-UHFFFAOYSA-N -1 3 254.211 3.176 20 0 CGADHM O=c1ccc(-c2ccc(F)cc2[O-])cn1-c1ccccc1F ZINC001242219810 822916487 /nfs/dbraw/zinc/91/64/87/822916487.db2.gz RRHVJKNUHRPEHC-UHFFFAOYSA-N -1 3 299.276 3.488 20 0 CGADHM [O-]c1cc(F)ccc1-c1cccc2c1CCC21OCCO1 ZINC001242221833 822917181 /nfs/dbraw/zinc/91/71/81/822917181.db2.gz OYOWPRIZGPKCJB-UHFFFAOYSA-N -1 3 286.302 3.344 20 0 CGADHM Cc1nc2ccc(-c3ccc(F)cc3[O-])cc2c(=O)o1 ZINC001242221766 822917290 /nfs/dbraw/zinc/91/72/90/822917290.db2.gz XDIFYQYQADLWJC-UHFFFAOYSA-N -1 3 271.247 3.008 20 0 CGADHM [O-]c1cc(F)ccc1-c1ccc(F)c(C2OCCO2)c1 ZINC001242221659 822917442 /nfs/dbraw/zinc/91/74/42/822917442.db2.gz WAUVNRWGCNQBEO-UHFFFAOYSA-N -1 3 278.254 3.383 20 0 CGADHM COC(=O)c1cc(F)ccc1-c1cccc(F)c1[O-] ZINC001242350407 822960416 /nfs/dbraw/zinc/96/04/16/822960416.db2.gz DMUHCFVGTKRRHK-UHFFFAOYSA-N -1 3 264.227 3.124 20 0 CGADHM COc1cc(-c2cccc(F)c2[O-])ccc1NC(C)=O ZINC001242350559 822961523 /nfs/dbraw/zinc/96/15/23/822961523.db2.gz IAMILIDAMTZLDZ-UHFFFAOYSA-N -1 3 275.279 3.165 20 0 CGADHM [O-]c1c(F)cccc1-c1ccc(N2CCOCC2)cc1 ZINC001242351842 822961865 /nfs/dbraw/zinc/96/18/65/822961865.db2.gz WRKCQHWISFUCRY-UHFFFAOYSA-N -1 3 273.307 3.035 20 0 CGADHM COc1cc(OC)c(-c2cccc(F)c2[O-])cc1OC ZINC001242351957 822961979 /nfs/dbraw/zinc/96/19/79/822961979.db2.gz DQGFWHHQNXHJAS-UHFFFAOYSA-N -1 3 278.279 3.224 20 0 CGADHM Cn1cc(-c2cccc(F)c2[O-])c2ccccc2c1=O ZINC001242351732 822962026 /nfs/dbraw/zinc/96/20/26/822962026.db2.gz QLIBPYWKMHZTLD-UHFFFAOYSA-N -1 3 269.275 3.050 20 0 CGADHM CC1(c2cccc(-c3cccc(F)c3[O-])c2)OCCO1 ZINC001242352105 822962236 /nfs/dbraw/zinc/96/22/36/822962236.db2.gz MKXIZQPWOVUMMU-UHFFFAOYSA-N -1 3 274.291 3.418 20 0 CGADHM O=C1CC[C@@H](c2ccc(-c3cccc(F)c3[O-])cc2)N1 ZINC001242352683 822962457 /nfs/dbraw/zinc/96/24/57/822962457.db2.gz BXSWEKSTMNQIQO-AWEZNQCLSA-N -1 3 271.291 3.149 20 0 CGADHM COC(=O)c1cc(F)cc(-c2cccc(F)c2[O-])c1 ZINC001242352593 822962642 /nfs/dbraw/zinc/96/26/42/822962642.db2.gz ZYEILKKHMYJYOZ-UHFFFAOYSA-N -1 3 264.227 3.124 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2cnoc2C(C)C)c1 ZINC001339140845 936353881 /nfs/dbraw/zinc/35/38/81/936353881.db2.gz KDQHMLALDCJCGY-UHFFFAOYSA-N -1 3 274.320 3.318 20 0 CGADHM CC(C)(C)O[N-]C(=O)CCc1cc(Cl)cs1 ZINC001341325330 936434555 /nfs/dbraw/zinc/43/45/55/936434555.db2.gz RHDRHQILXXLTIV-UHFFFAOYSA-N -1 3 261.774 3.180 20 0 CGADHM C[C@H](c1ccccc1)N(C(=O)c1ccc(O)cc1[O-])C1CC1 ZINC001346105543 936838633 /nfs/dbraw/zinc/83/86/33/936838633.db2.gz JLVYWZPBNXTKQW-GFCCVEGCSA-N -1 3 297.354 3.464 20 0 CGADHM C[C@H]1CC[C@@H](NC(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000356047441 927950531 /nfs/dbraw/zinc/95/05/31/927950531.db2.gz GITHVDCJIDGJNG-SMDDNHRTSA-N -1 3 269.344 3.464 20 0 CGADHM CC[C@H]1CCN(Cc2c(F)ccc([O-])c2F)[C@@H]1C ZINC001474460451 937205190 /nfs/dbraw/zinc/20/51/90/937205190.db2.gz YMCLFNPJADRSMC-ZJUUUORDSA-N -1 3 255.308 3.291 20 0 CGADHM CCOc1ccc(Sc2cc(Cl)nc(=O)[n-]2)cc1 ZINC001364132105 937232496 /nfs/dbraw/zinc/23/24/96/937232496.db2.gz GYGXHOGCYIKSMM-UHFFFAOYSA-N -1 3 282.752 3.386 20 0 CGADHM Fc1cc(F)cc([N-]c2nnc(Br)s2)c1 ZINC000081663403 928271247 /nfs/dbraw/zinc/27/12/47/928271247.db2.gz UAFNJZOIGCJVQO-UHFFFAOYSA-N -1 3 292.108 3.322 20 0 CGADHM CCC[C@@H]1CCCN1Cc1nc(=O)c2sccc2[n-]1 ZINC001365336381 937235538 /nfs/dbraw/zinc/23/55/38/937235538.db2.gz JXPLVEKGHACQOV-SNVBAGLBSA-N -1 3 277.393 3.161 20 0 CGADHM CO[C@]1(C)CCCN(Cc2ccc([O-])c(F)c2F)CC1 ZINC001308737189 928541007 /nfs/dbraw/zinc/54/10/07/928541007.db2.gz DAPDTQSGFQEORW-OAHLLOKOSA-N -1 3 285.334 3.061 20 0 CGADHM CCN(Cc1ccccc1)C(=O)c1ccc(C(C)=O)c([O-])c1 ZINC001440826695 937333663 /nfs/dbraw/zinc/33/36/63/937333663.db2.gz JNJWSTBYQBJSRC-UHFFFAOYSA-N -1 3 297.354 3.257 20 0 CGADHM Cc1ccc(C(=O)NCC2(Cc3ccccc3)CC2)c([O-])c1 ZINC001545937658 937336057 /nfs/dbraw/zinc/33/60/57/937336057.db2.gz VNCVRMPIGMULPU-UHFFFAOYSA-N -1 3 295.382 3.453 20 0 CGADHM CC(=O)c1cccc(NC(=O)c2ccnc(C3CC3)c2)c1[O-] ZINC001450604138 937386343 /nfs/dbraw/zinc/38/63/43/937386343.db2.gz FYXNKSPNGBXONX-UHFFFAOYSA-N -1 3 296.326 3.120 20 0 CGADHM O=C(Nc1c([O-])cccc1Cl)c1csc(Cl)n1 ZINC001450264662 937384950 /nfs/dbraw/zinc/38/49/50/937384950.db2.gz WTVPBNVWERIYOP-UHFFFAOYSA-N -1 3 289.143 3.408 20 0 CGADHM Cc1nsc([N-]C(=O)c2cc3c(o2)c(F)ccc3C)n1 ZINC001457058413 937437815 /nfs/dbraw/zinc/43/78/15/937437815.db2.gz DMTGZSPWPVNDRF-UHFFFAOYSA-N -1 3 291.307 3.293 20 0 CGADHM C[C@H](Cc1cccs1)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC000315006557 932028787 /nfs/dbraw/zinc/02/87/87/932028787.db2.gz RUMYSJFFAOXMML-BDAKNGLRSA-N -1 3 296.417 3.185 20 0 CGADHM CCC[C@H](C)Oc1cc(O)cc([O-])c1Br ZINC001229096838 932094035 /nfs/dbraw/zinc/09/40/35/932094035.db2.gz KGPSTSQKHUYTHX-ZETCQYMHSA-N -1 3 275.142 3.428 20 0 CGADHM C[C@H](Oc1cccc([O-])c1Br)c1ncccn1 ZINC001229140290 932104430 /nfs/dbraw/zinc/10/44/30/932104430.db2.gz ZQHSGSVXHBMNMG-QMMMGPOBSA-N -1 3 295.136 3.085 20 0 CGADHM CC[C@H](COC)Oc1nc(=S)[n-]c2scc(C)c21 ZINC001229353585 932138060 /nfs/dbraw/zinc/13/80/60/932138060.db2.gz QRHTXBAWAYAWCD-MRVPVSSYSA-N -1 3 284.406 3.092 20 0 CGADHM CCC[C@@H](C)[C@@H](CC)Oc1ccccc1-c1nnn[n-]1 ZINC001229950940 932508210 /nfs/dbraw/zinc/50/82/10/932508210.db2.gz OQZBCVLOUWOTMY-DGCLKSJQSA-N -1 3 274.368 3.460 20 0 CGADHM CCC[C@@H](C)[C@@H](CC)Oc1ccccc1-c1nn[n-]n1 ZINC001229950940 932508214 /nfs/dbraw/zinc/50/82/14/932508214.db2.gz OQZBCVLOUWOTMY-DGCLKSJQSA-N -1 3 274.368 3.460 20 0 CGADHM Cc1ccccc1[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC001229954605 932509398 /nfs/dbraw/zinc/50/93/98/932509398.db2.gz NJHRATBTFVIWLP-GFCCVEGCSA-N -1 3 280.331 3.315 20 0 CGADHM Cc1ccccc1[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC001229954605 932509403 /nfs/dbraw/zinc/50/94/03/932509403.db2.gz NJHRATBTFVIWLP-GFCCVEGCSA-N -1 3 280.331 3.315 20 0 CGADHM Cc1ccccc1[C@H](C)Oc1nc(=O)[n-]c2c1SCC2 ZINC001230791587 932624583 /nfs/dbraw/zinc/62/45/83/932624583.db2.gz DYFCEPYUSRSFHO-JTQLQIEISA-N -1 3 288.372 3.279 20 0 CGADHM O=c1nc(OC2CCCC2)c(-c2ccccc2)c[n-]1 ZINC001230973664 932652139 /nfs/dbraw/zinc/65/21/39/932652139.db2.gz JAYFCLRTQSWIJN-UHFFFAOYSA-N -1 3 256.305 3.171 20 0 CGADHM C[C@@H]1CC[C@H](Oc2[n-]c(=O)nc3cccc(F)c32)C1 ZINC001231074169 932673333 /nfs/dbraw/zinc/67/33/33/932673333.db2.gz MEDFWEMZRPOOSA-BDAKNGLRSA-N -1 3 262.284 3.042 20 0 CGADHM O=C([N-]c1ncsc1C1CC1)c1ncc(Cl)s1 ZINC001334297769 932767044 /nfs/dbraw/zinc/76/70/44/932767044.db2.gz MBGKPRRDTLFCJT-UHFFFAOYSA-N -1 3 285.781 3.383 20 0 CGADHM CC1(CNC(=O)c2c([O-])cccc2O)CCCCCC1 ZINC001306820824 932888812 /nfs/dbraw/zinc/88/88/12/932888812.db2.gz WHXGUFNLNRFXNN-UHFFFAOYSA-N -1 3 277.364 3.188 20 0 CGADHM [O-]c1ccc(CNC[C@@H]2CCCC3(CCC3)O2)c(F)c1F ZINC001308963345 933215216 /nfs/dbraw/zinc/21/52/16/933215216.db2.gz RTXWOCASPGWSRL-LBPRGKRZSA-N -1 3 297.345 3.252 20 0 CGADHM CC[C@H]1CCC[C@@]1(C)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC001464609529 937693361 /nfs/dbraw/zinc/69/33/61/937693361.db2.gz HFTHPOPBMZCVGQ-BLLLJJGKSA-N -1 3 299.378 3.022 20 0 CGADHM CC[C@H]1CCC[C@@]1(C)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001464609529 937693362 /nfs/dbraw/zinc/69/33/62/937693362.db2.gz HFTHPOPBMZCVGQ-BLLLJJGKSA-N -1 3 299.378 3.022 20 0 CGADHM Cc1cccc(C)c1CCNC(=O)c1c(C)cccc1[O-] ZINC001465820957 937703970 /nfs/dbraw/zinc/70/39/70/937703970.db2.gz PCHHUQNUMYKINK-UHFFFAOYSA-N -1 3 283.371 3.290 20 0 CGADHM CSc1cc(C)c(C(=O)Nc2cccc([O-])c2F)o1 ZINC001466119474 937706588 /nfs/dbraw/zinc/70/65/88/937706588.db2.gz ZYWRLKZHESRWMS-UHFFFAOYSA-N -1 3 281.308 3.407 20 0 CGADHM CC1(C)CCC[C@](O)(C(=O)Nc2cc(Cl)ccc2[O-])C1 ZINC001466258523 937707772 /nfs/dbraw/zinc/70/77/72/937707772.db2.gz VCIFDWITGGSEGJ-OAHLLOKOSA-N -1 3 297.782 3.315 20 0 CGADHM O=C(Nc1ncccc1[O-])c1cccc2c1CCCCC2 ZINC001466805781 937712387 /nfs/dbraw/zinc/71/23/87/937712387.db2.gz WEQAWRIZSTZQTF-UHFFFAOYSA-N -1 3 282.343 3.308 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2ccc3c(n2)CCC3)c1 ZINC001468137800 937725068 /nfs/dbraw/zinc/72/50/68/937725068.db2.gz NYYOJFONHAYSEW-UHFFFAOYSA-N -1 3 282.343 3.091 20 0 CGADHM COc1cccc([O-])c1C(=O)NCc1coc2ccccc12 ZINC001468338295 937727067 /nfs/dbraw/zinc/72/70/67/937727067.db2.gz UODGIDGBJPVSCH-UHFFFAOYSA-N -1 3 297.310 3.077 20 0 CGADHM C[C@@H](CCC(=O)[O-])CNCc1csc(C(C)(C)C)n1 ZINC001320867155 934114140 /nfs/dbraw/zinc/11/41/40/934114140.db2.gz SLDFVQXXDBUZEJ-JTQLQIEISA-N -1 3 284.425 3.031 20 0 CGADHM CO[C@@H](CNC(=O)c1c(C)cccc1[O-])C1CCCCC1 ZINC001470495083 937754282 /nfs/dbraw/zinc/75/42/82/937754282.db2.gz QXKBLRUOEUOPDS-HNNXBMFYSA-N -1 3 291.391 3.026 20 0 CGADHM O=C(CCCc1ccc(C2CC2)cc1)Nc1ccncc1[O-] ZINC001472506074 937776715 /nfs/dbraw/zinc/77/67/15/937776715.db2.gz KJKQBXNKLOAMGQ-UHFFFAOYSA-N -1 3 296.370 3.048 20 0 CGADHM Cc1nc2c(c(=O)[n-]1)CN([C@@H](C)c1ccc3c(c1)CCC3)C2 ZINC001473690072 937817704 /nfs/dbraw/zinc/81/77/04/937817704.db2.gz XDJNLOGTLUFOCP-NSHDSACASA-N -1 3 295.386 3.056 20 0 CGADHM Cc1cnc2ccccc2c1N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001335648219 936156104 /nfs/dbraw/zinc/15/61/04/936156104.db2.gz RGPQJJNKXWGRCJ-LSDHHAIUSA-N -1 3 296.370 3.090 20 0 CGADHM CN(C)c1ccc(NCc2ccc([O-])c(F)c2)cc1F ZINC001474677169 937874405 /nfs/dbraw/zinc/87/44/05/937874405.db2.gz FMQZXQXYAMIYCY-UHFFFAOYSA-N -1 3 278.302 3.349 20 0 CGADHM Cc1sc(Cl)nc1C(=O)[N-]c1ccnc(F)c1F ZINC001529409831 938072883 /nfs/dbraw/zinc/07/28/83/938072883.db2.gz ZXXKRFJAXJOYOG-UHFFFAOYSA-N -1 3 289.694 3.030 20 0 CGADHM Cc1ccccc1C[C@H](C)NC(=O)c1c(C)cccc1[O-] ZINC001544795187 938147044 /nfs/dbraw/zinc/14/70/44/938147044.db2.gz NLUARZQOWCBFNN-AWEZNQCLSA-N -1 3 283.371 3.370 20 0 CGADHM CC1(C)[C@H](NCc2ccc(C(=O)[O-])o2)[C@H]1c1ccccc1 ZINC001550346110 938165931 /nfs/dbraw/zinc/16/59/31/938165931.db2.gz XVGVZZAUPBWFJN-HUUCEWRRSA-N -1 3 285.343 3.260 20 0 CGADHM CC[C@H]1CCN(C(=O)c2c(C)nc[n-]c2=O)c2ccccc21 ZINC001551919873 938188623 /nfs/dbraw/zinc/18/86/23/938188623.db2.gz VJGZRHLZVBWHRP-LBPRGKRZSA-N -1 3 297.358 3.035 20 0 CGADHM CC(C)CCCCCC(=O)Nc1ncccc1[O-] ZINC001556164056 938202255 /nfs/dbraw/zinc/20/22/55/938202255.db2.gz SJROUWSLDKBGEV-UHFFFAOYSA-N -1 3 250.342 3.332 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2ccc(F)c3occc32)n1 ZINC001556408141 938203533 /nfs/dbraw/zinc/20/35/33/938203533.db2.gz BWZMFPOFQDECPS-UHFFFAOYSA-N -1 3 286.262 3.233 20 0 CGADHM Cc1cccc([O-])c1C(=O)N[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC001556470352 938203927 /nfs/dbraw/zinc/20/39/27/938203927.db2.gz CKFHPHVEHXOLCW-ZIAGYGMSSA-N -1 3 285.318 3.126 20 0 CGADHM O=C(Nc1c([O-])cccc1Cl)c1cccc2n[nH]cc21 ZINC001556784612 938205829 /nfs/dbraw/zinc/20/58/29/938205829.db2.gz ZJFLDGMKQLQLJG-UHFFFAOYSA-N -1 3 287.706 3.174 20 0 CGADHM Cc1cccc(C(=O)Nc2cc(CCC(C)C)[nH]n2)c1[O-] ZINC001557211245 938208443 /nfs/dbraw/zinc/20/84/43/938208443.db2.gz RLBKTUMTZKHXAR-UHFFFAOYSA-N -1 3 287.363 3.265 20 0 CGADHM CCc1cccc(C(=O)N[C@@H]2CCc3ccccc32)c1[O-] ZINC001557398016 938209719 /nfs/dbraw/zinc/20/97/19/938209719.db2.gz KWWKIBZRXSDDDF-MRXNPFEDSA-N -1 3 281.355 3.372 20 0 CGADHM O=C(CCc1ccc(F)cc1)[N-]Oc1ccc(F)cc1 ZINC001557412020 938209808 /nfs/dbraw/zinc/20/98/08/938209808.db2.gz BPLUEGLEPJOKSW-UHFFFAOYSA-N -1 3 277.270 3.008 20 0 CGADHM C/C(=C/C(=O)[N-]OCc1cccc(C)n1)c1cccs1 ZINC001557719154 938211582 /nfs/dbraw/zinc/21/15/82/938211582.db2.gz QRKCRNCWFGPMHM-LUAWRHEFSA-N -1 3 288.372 3.103 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)Nc1ccc2occc2c1 ZINC001557957896 938212747 /nfs/dbraw/zinc/21/27/47/938212747.db2.gz WLNMEUWIDXRABG-UHFFFAOYSA-N -1 3 285.274 3.459 20 0 CGADHM C=C/C=C\CCNC(=O)c1ccc(C(C)C)cc1[O-] ZINC001558153449 938213897 /nfs/dbraw/zinc/21/38/97/938213897.db2.gz XVSLDFDYAPOYCL-WAYWQWQTSA-N -1 3 259.349 3.378 20 0 CGADHM C[C@H](NCc1ccc(C(=O)[O-])s1)c1cccc(O)c1 ZINC000383947899 971903449 /nfs/dbraw/zinc/90/34/49/971903449.db2.gz MVQCBEAEMWWENI-VIFPVBQESA-N -1 3 277.345 3.003 20 0 CGADHM CC(=O)c1ccsc1[N-]C(=O)c1nc(Cl)ccc1F ZINC001129235480 957844299 /nfs/dbraw/zinc/84/42/99/957844299.db2.gz LGIABAUVHGLEKI-UHFFFAOYSA-N -1 3 298.726 3.391 20 0 CGADHM C[C@@H](c1cc(F)ccc1F)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC000086782544 957987541 /nfs/dbraw/zinc/98/75/41/957987541.db2.gz MJMSKEGUGVSFCO-ZUZCIYMTSA-N -1 3 283.318 3.213 20 0 CGADHM C[C@H](N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21)c1cccc(O)c1 ZINC001603242851 972394467 /nfs/dbraw/zinc/39/44/67/972394467.db2.gz MFQGCXSRZWSSJH-JECHBYEQSA-N -1 3 297.354 3.356 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2ccc3[nH]c(C)nc3c2)c1 ZINC001566329386 960922325 /nfs/dbraw/zinc/92/23/25/960922325.db2.gz WDWQHDJLGCQQLJ-UHFFFAOYSA-N -1 3 295.342 3.392 20 0 CGADHM CCc1ccc(F)cc1C(=O)Nc1cc(F)ccc1[O-] ZINC001567234689 961149693 /nfs/dbraw/zinc/14/96/93/961149693.db2.gz NNEOPGICCAGEGX-UHFFFAOYSA-N -1 3 277.270 3.485 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])c1cccc2cc(=O)[nH]cc21 ZINC001567237238 961152109 /nfs/dbraw/zinc/15/21/09/961152109.db2.gz JLBGBXAWIOCBBM-UHFFFAOYSA-N -1 3 298.273 3.037 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2cc(O)ccc2C)c1 ZINC001587309318 962239030 /nfs/dbraw/zinc/23/90/30/962239030.db2.gz KKIFYKFKJVJFFD-UHFFFAOYSA-N -1 3 271.316 3.221 20 0 CGADHM CC(C)(C)C[C@@H]1C[C@H]1Nc1cc(F)ccc1-c1nnn[n-]1 ZINC001573855350 962282495 /nfs/dbraw/zinc/28/24/95/962282495.db2.gz RHGXFJYFEDZVCJ-JOYOIKCWSA-N -1 3 289.358 3.242 20 0 CGADHM CC(C)(C)C[C@@H]1C[C@H]1Nc1cc(F)ccc1-c1nn[n-]n1 ZINC001573855350 962282518 /nfs/dbraw/zinc/28/25/18/962282518.db2.gz RHGXFJYFEDZVCJ-JOYOIKCWSA-N -1 3 289.358 3.242 20 0 CGADHM CCOc1ccc(Cl)cc1CN1[C@H](C)CC[C@@H]1C(=O)[O-] ZINC001573920429 962292661 /nfs/dbraw/zinc/29/26/61/962292661.db2.gz YUPNXYPDRAUTEF-ZWNOBZJWSA-N -1 3 297.782 3.176 20 0 CGADHM CC(C)Oc1ccc(NCC(C)(C)C)cc1-c1nnn[n-]1 ZINC001574342164 962299434 /nfs/dbraw/zinc/29/94/34/962299434.db2.gz MIYYKSSEMQNDQO-UHFFFAOYSA-N -1 3 289.383 3.112 20 0 CGADHM CC(C)Oc1ccc(NCC(C)(C)C)cc1-c1nn[n-]n1 ZINC001574342164 962299454 /nfs/dbraw/zinc/29/94/54/962299454.db2.gz MIYYKSSEMQNDQO-UHFFFAOYSA-N -1 3 289.383 3.112 20 0 CGADHM CC1(C)CCCC[C@H]1COc1ccc(-c2nn[n-]n2)cc1 ZINC001575689104 962411396 /nfs/dbraw/zinc/41/13/96/962411396.db2.gz YKKTUQFVPYWMOP-ZDUSSCGKSA-N -1 3 286.379 3.462 20 0 CGADHM CCCC[C@@H](CCC)Nc1nccc(C)c1-c1nnn[n-]1 ZINC001577458978 962548186 /nfs/dbraw/zinc/54/81/86/962548186.db2.gz UUURFUGXZZMHJV-GFCCVEGCSA-N -1 3 288.399 3.341 20 0 CGADHM CCCC[C@@H](CCC)Nc1nccc(C)c1-c1nn[n-]n1 ZINC001577458978 962548215 /nfs/dbraw/zinc/54/82/15/962548215.db2.gz UUURFUGXZZMHJV-GFCCVEGCSA-N -1 3 288.399 3.341 20 0 CGADHM CCCCCSCc1ccc(-c2nnn[n-]2)cc1OC ZINC001577507824 962556812 /nfs/dbraw/zinc/55/68/12/962556812.db2.gz CEZSTGMBKRZQGV-UHFFFAOYSA-N -1 3 292.408 3.299 20 0 CGADHM CCCCCSCc1ccc(-c2nn[n-]n2)cc1OC ZINC001577507824 962556818 /nfs/dbraw/zinc/55/68/18/962556818.db2.gz CEZSTGMBKRZQGV-UHFFFAOYSA-N -1 3 292.408 3.299 20 0 CGADHM CSCCCSc1cc(C)cc(F)c1-c1nnn[n-]1 ZINC001580226286 962707557 /nfs/dbraw/zinc/70/75/57/962707557.db2.gz SSXRAIBIPVLFHS-UHFFFAOYSA-N -1 3 298.412 3.159 20 0 CGADHM Cc1ccc2c(c1)[C@@H](NC(=O)c1c(C)cccc1[O-])CC2 ZINC001583457729 962809169 /nfs/dbraw/zinc/80/91/69/962809169.db2.gz WZMUZCPSICYVSM-HNNXBMFYSA-N -1 3 281.355 3.426 20 0 CGADHM Cc1ccc(OC[C@@H](C)NC(=O)c2c(C)cccc2[O-])cc1 ZINC001583649280 962837081 /nfs/dbraw/zinc/83/70/81/962837081.db2.gz YBFNYYCROQETDN-CQSZACIVSA-N -1 3 299.370 3.206 20 0 CGADHM CC[C@H](NCCCC(=O)[O-])c1nc(C(F)(F)F)cs1 ZINC001589569456 964002339 /nfs/dbraw/zinc/00/23/39/964002339.db2.gz HKKQNVURGFKWMM-ZETCQYMHSA-N -1 3 296.314 3.067 20 0 CGADHM C[C@H](NCc1ccccc1CC(=O)[O-])c1ccc(C#N)cc1 ZINC000317118390 970329353 /nfs/dbraw/zinc/32/93/53/970329353.db2.gz HHRBEOJITHPOFK-ZDUSSCGKSA-N -1 3 294.354 3.036 20 0 CGADHM Cc1cc(F)c(CN(CC(=O)[O-])CC(C)(C)C)c(F)c1 ZINC001605179124 972891437 /nfs/dbraw/zinc/89/14/37/972891437.db2.gz JAHNFZIRSTXNMF-UHFFFAOYSA-N -1 3 285.334 3.206 20 0 CGADHM CC[C@@](NC/C=C\Cl)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595290524 980390198 /nfs/dbraw/zinc/39/01/98/980390198.db2.gz LPELOEKXTBJUSU-SYAFZNNESA-N -1 3 288.174 3.372 20 0 CGADHM CC[C@@H](C)[C@H](C(=O)[O-])N1Cc2cccc(Cl)c2C1 ZINC001594873768 982195939 /nfs/dbraw/zinc/19/59/39/982195939.db2.gz PGGHWHFMXMHWGQ-NOZJJQNGSA-N -1 3 267.756 3.155 20 0 CGADHM CCCc1nc(CN[C@@]2(C)CCCC[C@@H]2C(=O)[O-])cs1 ZINC001596089927 983414785 /nfs/dbraw/zinc/41/47/85/983414785.db2.gz QXABAKBRKLITKW-DOMZBBRYSA-N -1 3 296.436 3.219 20 0 CGADHM CCOc1c(Cl)cccc1CN1CC[C@@H](C(=O)[O-])[C@@H]1C ZINC001596993177 986282442 /nfs/dbraw/zinc/28/24/42/986282442.db2.gz YNPVFHHMDZZPPJ-CMPLNLGQSA-N -1 3 297.782 3.034 20 0 CGADHM CC[C@@H](NCc1cncc(C(=O)[O-])c1)c1ccccc1 ZINC001597291443 987377022 /nfs/dbraw/zinc/37/70/22/987377022.db2.gz HWXZPYQORXSESC-OAHLLOKOSA-N -1 3 270.332 3.021 20 0 CGADHM CCc1[nH]c(CNCc2cccc(Cl)c2)cc1C(=O)[O-] ZINC001597394770 987643262 /nfs/dbraw/zinc/64/32/62/987643262.db2.gz FVZWBYNMTQRRTH-UHFFFAOYSA-N -1 3 292.766 3.219 20 0 CGADHM CCc1oc(CN2CCC(C3CC3)CC2)cc1C(=O)[O-] ZINC001597796108 989350275 /nfs/dbraw/zinc/35/02/75/989350275.db2.gz IVLRAINZVAVZIQ-UHFFFAOYSA-N -1 3 277.364 3.162 20 0 CGADHM CC(C)(CCN1CC(c2cccc(Cl)c2)C1)C(=O)[O-] ZINC001590670983 990378365 /nfs/dbraw/zinc/37/83/65/990378365.db2.gz QWWYLLDLQLRGNB-UHFFFAOYSA-N -1 3 281.783 3.240 20 0 CGADHM CC(C)=CCC[C@H](C)NCc1ncc(C(=O)[O-])s1 ZINC001590922250 990918339 /nfs/dbraw/zinc/91/83/39/990918339.db2.gz VONTVHZQXIGKHQ-JTQLQIEISA-N -1 3 268.382 3.066 20 0 CGADHM C[C@H](N[C@@H](C(=O)[O-])c1c(F)cccc1Cl)C1(C)CC1 ZINC001593189219 994110979 /nfs/dbraw/zinc/11/09/79/994110979.db2.gz FHLKPZAGOHHPAA-QPUJVOFHSA-N -1 3 285.746 3.383 20 0 CGADHM C[C@H](C1CC1)N(C)C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621420837 349524065 /nfs/dbraw/zinc/52/40/65/349524065.db2.gz VRUDPQHBDPLNFQ-MRVPVSSYSA-N -1 3 287.281 3.282 20 0 CGADHM CC(C)(C)c1ccc(NC(=O)c2cccnc2)c([O-])c1 ZINC000337653775 214198563 /nfs/dbraw/zinc/19/85/63/214198563.db2.gz LWZCIPYNCKOOGF-UHFFFAOYSA-N -1 3 270.332 3.337 20 0 CGADHM CCO[C@H](C)C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000337665378 214206319 /nfs/dbraw/zinc/20/63/19/214206319.db2.gz TXWWACMJTIYLBN-SNVBAGLBSA-N -1 3 265.353 3.053 20 0 CGADHM CC[C@@H]1CCCN1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000590062023 346824381 /nfs/dbraw/zinc/82/43/81/346824381.db2.gz OIRZOUXURKVTCU-LLVKDONJSA-N -1 3 297.358 3.456 20 0 CGADHM CCN1CCc2ccc(NC(=O)c3cccc(C)c3[O-])cc21 ZINC000590257546 346837714 /nfs/dbraw/zinc/83/77/14/346837714.db2.gz JNPWOGYZMFRJDT-UHFFFAOYSA-N -1 3 296.370 3.335 20 0 CGADHM CC(C)(C)[C@@H]1CCCN(C(=O)c2cc(F)c[n-]c2=O)CC1 ZINC000621871719 349599114 /nfs/dbraw/zinc/59/91/14/349599114.db2.gz WHTOYWKKSLHNGT-LLVKDONJSA-N -1 3 294.370 3.215 20 0 CGADHM CC[C@@H](C)[C@@H](NC(=O)c1cccc(C)c1[O-])C(F)(F)F ZINC000436998479 529400396 /nfs/dbraw/zinc/40/03/96/529400396.db2.gz CJRNGNWFMZAJEU-PRHODGIISA-N -1 3 289.297 3.407 20 0 CGADHM Cc1ccc(C(=O)N2CC(C)(c3ccccc3)C2)c([O-])c1 ZINC000622213139 349652641 /nfs/dbraw/zinc/65/26/41/349652641.db2.gz SZJZKJYVYMLRAP-UHFFFAOYSA-N -1 3 281.355 3.114 20 0 CGADHM Cc1c(F)cccc1NC(=O)Cc1ccc([O-])c(F)c1 ZINC000622404967 349676852 /nfs/dbraw/zinc/67/68/52/349676852.db2.gz ABAIIBLBWNIUBG-UHFFFAOYSA-N -1 3 277.270 3.160 20 0 CGADHM CC(C)c1ccc(C(=O)NCC2(C)CCC2)c([O-])c1 ZINC000622416970 349677652 /nfs/dbraw/zinc/67/76/52/349677652.db2.gz SCIZJJBUNXSIMH-UHFFFAOYSA-N -1 3 261.365 3.436 20 0 CGADHM CCc1cc(C(=O)N[C@@H](CC)c2nccs2)ccc1[O-] ZINC000436694559 529518962 /nfs/dbraw/zinc/51/89/62/529518962.db2.gz ARGUZTUVSCXTSB-LBPRGKRZSA-N -1 3 290.388 3.292 20 0 CGADHM CCc1cc(C(=O)N[C@H](CC)c2nccs2)ccc1[O-] ZINC000436694558 529519817 /nfs/dbraw/zinc/51/98/17/529519817.db2.gz ARGUZTUVSCXTSB-GFCCVEGCSA-N -1 3 290.388 3.292 20 0 CGADHM CCc1cc(C(=O)Nc2cccc3c[nH]nc32)ccc1[O-] ZINC000362544621 529521333 /nfs/dbraw/zinc/52/13/33/529521333.db2.gz GPTRUZIGHRAMMF-UHFFFAOYSA-N -1 3 281.315 3.083 20 0 CGADHM CCc1ccc([O-])c(C(=O)NC2(C3CCC3)CC2)c1 ZINC000622741970 349698778 /nfs/dbraw/zinc/69/87/78/349698778.db2.gz VMBIDADQRFFXCE-UHFFFAOYSA-N -1 3 259.349 3.017 20 0 CGADHM CCc1ccc(C(=O)N(C)C2CCCCC2)c([O-])c1 ZINC000436802443 529592460 /nfs/dbraw/zinc/59/24/60/529592460.db2.gz IFLZAOKWPQDUAR-UHFFFAOYSA-N -1 3 261.365 3.359 20 0 CGADHM CCc1ccc(C(=O)N(CC(F)F)CC2CCC2)c([O-])c1 ZINC000436828590 529593144 /nfs/dbraw/zinc/59/31/44/529593144.db2.gz IQUOUJYICSROOK-UHFFFAOYSA-N -1 3 297.345 3.462 20 0 CGADHM CCc1ccc(C(=O)NCc2ccc(COC)cc2)c([O-])c1 ZINC000436795864 529605511 /nfs/dbraw/zinc/60/55/11/529605511.db2.gz GNYNYOIRKRADES-UHFFFAOYSA-N -1 3 299.370 3.031 20 0 CGADHM CCc1ccc(C(=O)N2CC[C@H](CC3CC3)C2)c([O-])c1 ZINC000436718616 529599703 /nfs/dbraw/zinc/59/97/03/529599703.db2.gz XKJJSXWTLOPIHO-CQSZACIVSA-N -1 3 273.376 3.217 20 0 CGADHM CC[C@H](C)C[C@H](C)NC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000412142843 529683300 /nfs/dbraw/zinc/68/33/00/529683300.db2.gz CJRREVRWLZVLMJ-QWRGUYRKSA-N -1 3 277.364 3.149 20 0 CGADHM Cc1cccc([C@H]2CCN(C(=O)c3ccc(O)cc3[O-])C2)c1 ZINC000273151826 192059402 /nfs/dbraw/zinc/05/94/02/192059402.db2.gz XTDVYGPKBLOLMG-AWEZNQCLSA-N -1 3 297.354 3.036 20 0 CGADHM C[C@@H](Oc1ccccc1)C(=O)N1CCCc2cccc([O-])c21 ZINC000155570132 136395876 /nfs/dbraw/zinc/39/58/76/136395876.db2.gz QFZJYXLHQFIFNV-CYBMUJFWSA-N -1 3 297.354 3.139 20 0 CGADHM C[C@H]1CN(Cc2cc([O-])cc(F)c2)c2ccccc2O1 ZINC000351983734 136384733 /nfs/dbraw/zinc/38/47/33/136384733.db2.gz URMVMBPKKMRZFS-NSHDSACASA-N -1 3 273.307 3.319 20 0 CGADHM CC[C@H](c1ccncc1)N(C)C(=O)c1cc(C)ccc1[O-] ZINC000127914662 187341053 /nfs/dbraw/zinc/34/10/53/187341053.db2.gz GJEDDVXJVQELQY-OAHLLOKOSA-N -1 3 284.359 3.319 20 0 CGADHM COc1ccc([O-])c(C(=O)N[C@@H]2CCc3ccc(C)cc32)c1 ZINC000592664802 347005174 /nfs/dbraw/zinc/00/51/74/347005174.db2.gz RFXGPQBRZKVEDI-MRXNPFEDSA-N -1 3 297.354 3.127 20 0 CGADHM Cc1ccc(C(=O)NCCc2cccc(Cl)c2)c([O-])c1 ZINC000023612638 344898314 /nfs/dbraw/zinc/89/83/14/344898314.db2.gz LYBRJJOTMNVVTK-UHFFFAOYSA-N -1 3 289.762 3.327 20 0 CGADHM Cc1ccc(F)c(S(=O)(=O)[N-][C@@H](C)c2cccs2)c1 ZINC000032405664 344931963 /nfs/dbraw/zinc/93/19/63/344931963.db2.gz FQQRNDWOBRIVCO-JTQLQIEISA-N -1 3 299.392 3.235 20 0 CGADHM Cc1ccc(NC(=O)c2cc(-c3ccco3)[n-]n2)c(F)c1 ZINC000028492778 344913712 /nfs/dbraw/zinc/91/37/12/344913712.db2.gz NIEOGEFTSGWXMT-UHFFFAOYSA-N -1 3 285.278 3.370 20 0 CGADHM Cc1ccc(NC(=O)c2cc(-c3ccco3)n[n-]2)c(F)c1 ZINC000028492778 344913716 /nfs/dbraw/zinc/91/37/16/344913716.db2.gz NIEOGEFTSGWXMT-UHFFFAOYSA-N -1 3 285.278 3.370 20 0 CGADHM CC(C)(C)C1CCN(Cc2cc(C(=O)[O-])co2)CC1 ZINC000051330745 345089581 /nfs/dbraw/zinc/08/95/81/345089581.db2.gz OCPCNZHDRLQDPO-UHFFFAOYSA-N -1 3 265.353 3.236 20 0 CGADHM Cc1ccc(CC(=O)Nc2ccccc2[O-])cc1C ZINC000059432211 345208294 /nfs/dbraw/zinc/20/82/94/345208294.db2.gz CKJAOZGXHZSVOV-UHFFFAOYSA-N -1 3 255.317 3.190 20 0 CGADHM CC(C)n1cc(NC(=O)c2c[n-]nc2-c2ccccc2)cn1 ZINC000067174191 345316732 /nfs/dbraw/zinc/31/67/32/345316732.db2.gz HMYHGZWOMODEDO-UHFFFAOYSA-N -1 3 295.346 3.106 20 0 CGADHM Cc1ccc(NC(=O)c2cc3c(cc2[O-])CCCC3)nc1 ZINC000065617037 345275499 /nfs/dbraw/zinc/27/54/99/345275499.db2.gz UYXNESOSDVLWIV-UHFFFAOYSA-N -1 3 282.343 3.227 20 0 CGADHM CC(C)(C)c1nsc([N-]C(=O)c2ccncc2Cl)n1 ZINC000073075293 345429482 /nfs/dbraw/zinc/42/94/82/345429482.db2.gz HQSDNHIYXKLCTD-UHFFFAOYSA-N -1 3 296.783 3.136 20 0 CGADHM C[C@@H]1CCCN(Cc2ccc(F)cc2C(=O)[O-])[C@@H]1C ZINC000071264828 345402305 /nfs/dbraw/zinc/40/23/05/345402305.db2.gz QBXOQWWQFYZOOG-GHMZBOCLSA-N -1 3 265.328 3.144 20 0 CGADHM CCc1ccc(CN(C)C(=O)c2cc(OC)ccc2[O-])cc1 ZINC000078239679 345595810 /nfs/dbraw/zinc/59/58/10/345595810.db2.gz SGFFZBMSQXODMT-UHFFFAOYSA-N -1 3 299.370 3.235 20 0 CGADHM O=C([N-]c1nnc(C2CC2)s1)c1cccc(F)c1Cl ZINC000079632600 345649415 /nfs/dbraw/zinc/64/94/15/345649415.db2.gz FPGSZUGEOARHOM-UHFFFAOYSA-N -1 3 297.742 3.460 20 0 CGADHM CC(C)C[C@@H](C)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000087615883 345756270 /nfs/dbraw/zinc/75/62/70/345756270.db2.gz NGNMAQQUKCXDFM-IUODEOHRSA-N -1 3 261.365 3.105 20 0 CGADHM CCc1cccc(C(=O)N(CC)c2nc(C)cs2)c1[O-] ZINC000091683383 345820615 /nfs/dbraw/zinc/82/06/15/345820615.db2.gz WEJOLQHJHOXNMY-UHFFFAOYSA-N -1 3 290.388 3.386 20 0 CGADHM O=C(Nc1ccc(Cl)cc1[O-])c1cnc2cnccc2c1 ZINC000336970012 213808776 /nfs/dbraw/zinc/80/87/76/213808776.db2.gz OBZNZQBSKBUBIH-UHFFFAOYSA-N -1 3 299.717 3.241 20 0 CGADHM C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)c1c([O-])cccc1O ZINC000092124261 345831572 /nfs/dbraw/zinc/83/15/72/345831572.db2.gz VPPVIDVSSGWRBP-JSGCOSHPSA-N -1 3 297.354 3.116 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2[C@H](C)C[C@@H]3CCCC[C@@H]32)c1 ZINC000173051899 232276916 /nfs/dbraw/zinc/27/69/16/232276916.db2.gz IAZGTUYJVLNQNE-IPYPFGDCSA-N -1 3 273.376 3.494 20 0 CGADHM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccccc1F ZINC000174649112 232304853 /nfs/dbraw/zinc/30/48/53/232304853.db2.gz ZPTCLQXNWVUBSW-UHFFFAOYSA-N -1 3 283.299 3.074 20 0 CGADHM CCc1ccc([O-])c(C(=O)N(C)Cc2ccsc2)c1 ZINC000132312437 346070927 /nfs/dbraw/zinc/07/09/27/346070927.db2.gz KYKMHEZNVIRICL-UHFFFAOYSA-N -1 3 275.373 3.288 20 0 CGADHM CCc1ccsc1C(=O)NCc1ccc([O-])c(F)c1 ZINC000132762075 346074055 /nfs/dbraw/zinc/07/40/55/346074055.db2.gz ZBEVWEGJAMYLGJ-UHFFFAOYSA-N -1 3 279.336 3.085 20 0 CGADHM Cc1cc(C)cc(NC(=O)NCc2ccc([O-])c(F)c2)c1 ZINC000151371802 346137273 /nfs/dbraw/zinc/13/72/73/346137273.db2.gz BSWLFJAYRFSBSU-UHFFFAOYSA-N -1 3 288.322 3.470 20 0 CGADHM Cc1ccccc1C1(C(=O)Nc2ccccc2[O-])CC1 ZINC000171565548 346209458 /nfs/dbraw/zinc/20/94/58/346209458.db2.gz DGLIWETWBBFJJF-UHFFFAOYSA-N -1 3 267.328 3.371 20 0 CGADHM C[C@H]1CCC[C@@H]1CC(=O)Nc1cccc([O-])c1F ZINC000187722928 346260670 /nfs/dbraw/zinc/26/06/70/346260670.db2.gz UZEXFXXXDIFJND-VHSXEESVSA-N -1 3 251.301 3.296 20 0 CGADHM O=C(Nc1ncccc1[O-])c1c[nH]cc1-c1ccc(F)cc1 ZINC000180990085 346255036 /nfs/dbraw/zinc/25/50/36/346255036.db2.gz UKDQLTMGFBFQFR-UHFFFAOYSA-N -1 3 297.289 3.174 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N2C[C@H](c3ccccc3)C[C@H]2C)n1 ZINC000248736371 346378283 /nfs/dbraw/zinc/37/82/83/346378283.db2.gz KZVJOWGEQRBSBZ-IJEWVQPXSA-N -1 3 297.402 3.430 20 0 CGADHM CC[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(C)ccc2F)C1 ZINC000303761933 346446446 /nfs/dbraw/zinc/44/64/46/346446446.db2.gz ADLHLJNNGBIQMR-CHWSQXEVSA-N -1 3 299.411 3.381 20 0 CGADHM C[C@@H](c1ccco1)c1nc(-c2ccc([O-])cc2)no1 ZINC000350585802 346523392 /nfs/dbraw/zinc/52/33/92/346523392.db2.gz ZVUPXGRSFCLVSS-VIFPVBQESA-N -1 3 256.261 3.187 20 0 CGADHM Cc1ccc(CN2CC[C@@H](C(=O)[O-])[C@@H](C)C2)cc1Cl ZINC000381869370 346559475 /nfs/dbraw/zinc/55/94/75/346559475.db2.gz WFMXIACFLUFXHU-WCQYABFASA-N -1 3 281.783 3.191 20 0 CGADHM C[C@H](c1ccc(F)c(F)c1)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000380213817 346556365 /nfs/dbraw/zinc/55/63/65/346556365.db2.gz IEWOCHHHEFJDQB-FOGDFJRCSA-N -1 3 283.318 3.068 20 0 CGADHM CC[C@H](c1ccccc1OC)N(C)Cc1ncccc1[O-] ZINC000584688042 346707351 /nfs/dbraw/zinc/70/73/51/346707351.db2.gz ZSUAGUYDAKOWPA-OAHLLOKOSA-N -1 3 286.375 3.379 20 0 CGADHM Cc1ccccc1C(=O)N=c1cc(-c2ccccc2C)[n-][nH]1 ZINC000598897341 347698724 /nfs/dbraw/zinc/69/87/24/347698724.db2.gz NCQFANPOFKFCBW-UHFFFAOYSA-N -1 3 291.354 3.368 20 0 CGADHM Cc1ccc(C(=O)N2CC[C@@H](c3ccco3)C2)c([O-])c1C ZINC000601014608 347852500 /nfs/dbraw/zinc/85/25/00/347852500.db2.gz PKTPOBBUOOUMFW-CYBMUJFWSA-N -1 3 285.343 3.232 20 0 CGADHM Cc1ccc(C(=O)N2CC[C@H](c3ccco3)C2)c([O-])c1C ZINC000601014609 347852726 /nfs/dbraw/zinc/85/27/26/347852726.db2.gz PKTPOBBUOOUMFW-ZDUSSCGKSA-N -1 3 285.343 3.232 20 0 CGADHM CSC1CCN(Cc2c(Cl)cccc2C(=O)[O-])CC1 ZINC000601962066 347929803 /nfs/dbraw/zinc/92/98/03/347929803.db2.gz BKXCACZXZJKVAK-UHFFFAOYSA-N -1 3 299.823 3.366 20 0 CGADHM C[C@H](SCCc1nnn[n-]1)c1cccc(Cl)c1F ZINC000603340212 348072587 /nfs/dbraw/zinc/07/25/87/348072587.db2.gz VMAABYLEPFFPSY-ZETCQYMHSA-N -1 3 286.763 3.029 20 0 CGADHM C[C@H](SCCc1nn[n-]n1)c1cccc(Cl)c1F ZINC000603340212 348072591 /nfs/dbraw/zinc/07/25/91/348072591.db2.gz VMAABYLEPFFPSY-ZETCQYMHSA-N -1 3 286.763 3.029 20 0 CGADHM COC(=O)c1cccc(NC(=O)c2cccc(C)c2[O-])c1C ZINC000603477726 348085897 /nfs/dbraw/zinc/08/58/97/348085897.db2.gz FMHGNGPMKVKJQT-UHFFFAOYSA-N -1 3 299.326 3.048 20 0 CGADHM O=C(NCc1ccc([O-])c(F)c1)c1ccc(C(F)F)cc1 ZINC000606536839 348189993 /nfs/dbraw/zinc/18/99/93/348189993.db2.gz POYLQZPBDMQFDA-UHFFFAOYSA-N -1 3 295.260 3.399 20 0 CGADHM Cc1ccc(C(=O)N[C@H]2C[C@]2(C)c2ccccc2)c([O-])c1 ZINC000607598223 348252478 /nfs/dbraw/zinc/25/24/78/348252478.db2.gz NJCXABQXVKCSSO-FUHWJXTLSA-N -1 3 281.355 3.161 20 0 CGADHM Cc1ccccc1-c1cc(=NC(=O)[C@@H](C)c2ccco2)[nH][n-]1 ZINC000608359390 348300587 /nfs/dbraw/zinc/30/05/87/348300587.db2.gz AIBQNVVXOQMZKM-LBPRGKRZSA-N -1 3 295.342 3.142 20 0 CGADHM CC(C)c1ccc(-c2nc(C[C@H]3CCCO3)no2)c([O-])c1 ZINC000273357722 192124980 /nfs/dbraw/zinc/12/49/80/192124980.db2.gz AKRJFRBMFGGSLR-GFCCVEGCSA-N -1 3 288.347 3.287 20 0 CGADHM CSc1ccc([O-])c(C(=O)N(CC(F)F)C(C)C)c1 ZINC000612590027 348531866 /nfs/dbraw/zinc/53/18/66/348531866.db2.gz NHWBSJKYNBIOMF-UHFFFAOYSA-N -1 3 289.347 3.230 20 0 CGADHM CC1=CC[C@](C)(C(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC000612633553 348536418 /nfs/dbraw/zinc/53/64/18/348536418.db2.gz XLFCTUZYSIMMSH-INIZCTEOSA-N -1 3 277.339 3.284 20 0 CGADHM CO[C@@H](C(=O)Nc1ccc(Cl)cc1[O-])C1CCCC1 ZINC000613027670 348560072 /nfs/dbraw/zinc/56/00/72/348560072.db2.gz LUNXYPACFRVULH-CYBMUJFWSA-N -1 3 283.755 3.189 20 0 CGADHM C[C@@H](CC(=O)Nc1ccc(Cl)cc1[O-])[C@@H]1CCCO1 ZINC000613029351 348560104 /nfs/dbraw/zinc/56/01/04/348560104.db2.gz ZQKKFYWAUKFLBT-ZANVPECISA-N -1 3 283.755 3.189 20 0 CGADHM Cc1ccc([O-])c(NC(=O)C(C)(C)CC(F)(F)F)n1 ZINC000614163337 348653766 /nfs/dbraw/zinc/65/37/66/348653766.db2.gz ACKAIUNUAQHLEZ-UHFFFAOYSA-N -1 3 276.258 3.013 20 0 CGADHM CO[C@@H]1CC[C@@H](C(=O)N2CC[C@H](C)c3cccc([O-])c32)C1 ZINC000613573767 348619540 /nfs/dbraw/zinc/61/95/40/348619540.db2.gz BQNHKCLBXGQGAB-YNEHKIRRSA-N -1 3 289.375 3.048 20 0 CGADHM Cc1nc(C2CC2)oc1-c1nc(-c2ccc([O-])cc2)no1 ZINC000273453352 192158024 /nfs/dbraw/zinc/15/80/24/192158024.db2.gz GLFZFFLXYZPEFX-UHFFFAOYSA-N -1 3 283.287 3.283 20 0 CGADHM CC(C)[C@]1(C)C[C@@H]1C(=O)NCc1ccc([O-])c2ncccc12 ZINC000616023381 348782418 /nfs/dbraw/zinc/78/24/18/348782418.db2.gz RGCCFWLOBLCPOL-KDOFPFPSSA-N -1 3 298.386 3.239 20 0 CGADHM C[C@@H]1CCC(C)(C)N1C(=O)c1cc([O-])ccc1Cl ZINC000616165508 348793127 /nfs/dbraw/zinc/79/31/27/348793127.db2.gz RMGKNKWRNBTEHQ-SECBINFHSA-N -1 3 267.756 3.449 20 0 CGADHM CSc1nnc(NC(=O)[C@@H](C)CC2CCCCC2)[n-]1 ZINC000358188229 233076029 /nfs/dbraw/zinc/07/60/29/233076029.db2.gz TYKYIWDHSAZBIX-VIFPVBQESA-N -1 3 282.413 3.072 20 0 CGADHM CSc1n[n-]c(NC(=O)[C@@H](C)CC2CCCCC2)n1 ZINC000358188229 233076031 /nfs/dbraw/zinc/07/60/31/233076031.db2.gz TYKYIWDHSAZBIX-VIFPVBQESA-N -1 3 282.413 3.072 20 0 CGADHM CSc1nc(NC(=O)[C@@H](C)CC2CCCCC2)n[n-]1 ZINC000358188229 233076033 /nfs/dbraw/zinc/07/60/33/233076033.db2.gz TYKYIWDHSAZBIX-VIFPVBQESA-N -1 3 282.413 3.072 20 0 CGADHM O=C(Nc1ccc([O-])cc1Cl)[C@H]1CCCSC1 ZINC000616939778 348885139 /nfs/dbraw/zinc/88/51/39/348885139.db2.gz MIVJSLCKNQXUSA-QMMMGPOBSA-N -1 3 271.769 3.127 20 0 CGADHM C[C@H]1CC[C@H](C(=O)Nc2ccc([O-])cc2Cl)C1 ZINC000616941107 348885199 /nfs/dbraw/zinc/88/51/99/348885199.db2.gz RKLICUOHKSKQOV-IUCAKERBSA-N -1 3 253.729 3.420 20 0 CGADHM COCC(C)(C)CC(=O)Nc1ccc([O-])cc1Cl ZINC000616943156 348885917 /nfs/dbraw/zinc/88/59/17/348885917.db2.gz QISWSXIALYYLSJ-UHFFFAOYSA-N -1 3 271.744 3.047 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-]Cc2ccc(C(C)C)cc2)o1 ZINC000358425050 233131258 /nfs/dbraw/zinc/13/12/58/233131258.db2.gz HYKDBRYWVWSEBZ-UHFFFAOYSA-N -1 3 293.388 3.190 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-][C@H](C)[C@@H](C)c2ccccc2)o1 ZINC000358598103 233164086 /nfs/dbraw/zinc/16/40/86/233164086.db2.gz USPPWASQXCPQHS-CHWSQXEVSA-N -1 3 293.388 3.059 20 0 CGADHM Cc1cc(C(=O)N2CCC(C3CCC3)CC2)ccc1[O-] ZINC000617771315 349005707 /nfs/dbraw/zinc/00/57/07/349005707.db2.gz PBNILIPAISAYPS-UHFFFAOYSA-N -1 3 273.376 3.353 20 0 CGADHM COc1ccc2nc(C=Cc3nc(C)cc(=O)[n-]3)sc2c1 ZINC000352024962 219293291 /nfs/dbraw/zinc/29/32/91/219293291.db2.gz AWDJJHBNGQRRLI-WAYWQWQTSA-N -1 3 299.355 3.279 20 0 CGADHM C[C@@H]1N(C(=O)Cc2cncc([O-])c2)c2ccccc2C1(C)C ZINC000619019749 349196313 /nfs/dbraw/zinc/19/63/13/349196313.db2.gz PWDSTILVRNHFCL-LBPRGKRZSA-N -1 3 296.370 3.043 20 0 CGADHM CC(C)c1ccc(C(=O)N2CC[C@@H](C)O[C@@H](C)C2)c([O-])c1 ZINC000619117643 349207574 /nfs/dbraw/zinc/20/75/74/349207574.db2.gz IYGJPLSVRPTCGM-OLZOCXBDSA-N -1 3 291.391 3.155 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2ccc(Cl)cc2F)n1 ZINC000352039409 219298535 /nfs/dbraw/zinc/29/85/35/219298535.db2.gz FZCVQEVWFRHXPA-HWKANZROSA-N -1 3 264.687 3.454 20 0 CGADHM COc1cc(C(=O)N(CCC2CC2)CC2CC2)ccc1[O-] ZINC000620631628 349400715 /nfs/dbraw/zinc/40/07/15/349400715.db2.gz NBPYULLGNFRHOD-UHFFFAOYSA-N -1 3 289.375 3.053 20 0 CGADHM CC1(c2noc(-c3n[n-]nc3-c3ccccc3)n2)CCCC1 ZINC000624759250 350100542 /nfs/dbraw/zinc/10/05/42/350100542.db2.gz LMQCXXQTAULBKO-UHFFFAOYSA-N -1 3 295.346 3.353 20 0 CGADHM O=S(=O)(Cc1cccc(C(F)F)c1)c1cccc([O-])c1 ZINC000359184963 233276720 /nfs/dbraw/zinc/27/67/20/233276720.db2.gz DVVDXOYGYXUSIN-UHFFFAOYSA-N -1 3 298.310 3.304 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CCC[C@@H]1C1CCC1 ZINC000625219250 350142462 /nfs/dbraw/zinc/14/24/62/350142462.db2.gz VKUCYYCJEPCTMM-CYBMUJFWSA-N -1 3 259.349 3.105 20 0 CGADHM CC1(C)C[C@H](O)CCN(Cc2cc([O-])ccc2Cl)C1 ZINC000625462337 350175376 /nfs/dbraw/zinc/17/53/76/350175376.db2.gz XJAOPUGWYWGWFY-CYBMUJFWSA-N -1 3 283.799 3.029 20 0 CGADHM CCc1onc(C)c1NC(=O)c1ccc(C)c(C)c1[O-] ZINC000271336172 191081534 /nfs/dbraw/zinc/08/15/34/191081534.db2.gz BEDUBLKBASBRMF-UHFFFAOYSA-N -1 3 274.320 3.120 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CCC[C@@H]1c1ccc(O)cc1 ZINC000626102648 350259783 /nfs/dbraw/zinc/25/97/83/350259783.db2.gz SCFAOROLSDIWBP-OAHLLOKOSA-N -1 3 297.354 3.384 20 0 CGADHM C[C@H](CC(=O)Nc1cc(F)ccc1[O-])C(F)(F)F ZINC000626277702 350290724 /nfs/dbraw/zinc/29/07/24/350290724.db2.gz LNROCTSFNRFLCA-ZCFIWIBFSA-N -1 3 265.206 3.058 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000626726890 350335172 /nfs/dbraw/zinc/33/51/72/350335172.db2.gz LZVIYOHIXYLPTR-UWVGGRQHSA-N -1 3 287.281 3.114 20 0 CGADHM Cc1cccc([O-])c1C(=O)NC(C)(C1CC1)C1CC1 ZINC000628136197 350407113 /nfs/dbraw/zinc/40/71/13/350407113.db2.gz UEWSEIMDHCRLCY-UHFFFAOYSA-N -1 3 259.349 3.009 20 0 CGADHM O=C(NCC1(C(F)(F)F)CCCC1)c1ccccc1[O-] ZINC000629462636 350693588 /nfs/dbraw/zinc/69/35/88/350693588.db2.gz LKFKORQQPAKRNX-UHFFFAOYSA-N -1 3 287.281 3.245 20 0 CGADHM Cc1cccc(C(=O)N2C[C@@H]3CCCC[C@@]32C)c1[O-] ZINC000629614883 350719519 /nfs/dbraw/zinc/71/95/19/350719519.db2.gz PLOSBNRZIVEZNB-LRDDRELGSA-N -1 3 259.349 3.105 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1C[C@@H]2CCCC[C@@]21C ZINC000629620432 350721356 /nfs/dbraw/zinc/72/13/56/350721356.db2.gz WFSHWQIQBQHYTL-LRDDRELGSA-N -1 3 259.349 3.105 20 0 CGADHM Cc1c(C(=O)Nc2cc(C)cc([O-])c2)[nH]c2c1C(=O)CCC2 ZINC000629633308 350724759 /nfs/dbraw/zinc/72/47/59/350724759.db2.gz JAFUFIHYOUHBOV-UHFFFAOYSA-N -1 3 298.342 3.108 20 0 CGADHM CC(C)N(Cc1cccs1)C(=O)c1cc(F)c[n-]c1=O ZINC000630008346 350796892 /nfs/dbraw/zinc/79/68/92/350796892.db2.gz XYXYILGHDPCHQJ-UHFFFAOYSA-N -1 3 294.351 3.039 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)[C@H]2CC23CCC3)c1-c1ccc(F)cc1 ZINC000630028593 350798667 /nfs/dbraw/zinc/79/86/67/350798667.db2.gz BOQZEWYAPSRUIJ-CYBMUJFWSA-N -1 3 299.349 3.075 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)C(C)C)c1-c1ccc(Cl)cc1 ZINC000630440339 350840368 /nfs/dbraw/zinc/84/03/68/350840368.db2.gz ADBBYDPSUXBXNR-UHFFFAOYSA-N -1 3 277.755 3.055 20 0 CGADHM Cc1ccc(NC(=O)CO[C@@H]2CCCC[C@@H]2C)c([O-])c1 ZINC000113413902 186576012 /nfs/dbraw/zinc/57/60/12/186576012.db2.gz MZCARBQJSCGQQQ-SWLSCSKDSA-N -1 3 277.364 3.234 20 0 CGADHM Cc1cc(OCc2ncc(C3CC3)o2)cc2occ([O-])c21 ZINC000634561102 351514070 /nfs/dbraw/zinc/51/40/70/351514070.db2.gz LTYFUFYVTOCGGK-UHFFFAOYSA-N -1 3 285.299 3.015 20 0 CGADHM CCc1cc(C(=O)NCc2ccccc2COC)ccc1[O-] ZINC000291391949 198008834 /nfs/dbraw/zinc/00/88/34/198008834.db2.gz CNTOWNWTDQJTCF-UHFFFAOYSA-N -1 3 299.370 3.031 20 0 CGADHM C[C@H]1CCc2[n-]n(Cc3cccc(C(F)(F)F)c3)c(=O)c21 ZINC000634591081 351527396 /nfs/dbraw/zinc/52/73/96/351527396.db2.gz SIUDZWAFXFNPFQ-TVQRCGJNSA-N -1 3 296.292 3.450 20 0 CGADHM Cc1ccnc(-n2[n-]c(-c3ccccc3)c(C(C)C)c2=O)c1 ZINC000634600311 351535618 /nfs/dbraw/zinc/53/56/18/351535618.db2.gz CGXPEQVIDNWMPQ-MRXNPFEDSA-N -1 3 293.370 3.413 20 0 CGADHM Cc1cc(-n2[n-]c(-c3ccccc3)c(C(C)C)c2=O)ccn1 ZINC000634618948 351546953 /nfs/dbraw/zinc/54/69/53/351546953.db2.gz JOHQFNAHAIPOEB-MRXNPFEDSA-N -1 3 293.370 3.413 20 0 CGADHM Cc1cccc([O-])c1NC(=O)[C@@H](CC(C)C)n1ccnc1 ZINC000635760538 351689298 /nfs/dbraw/zinc/68/92/98/351689298.db2.gz TZAUIDDPQGBADI-CYBMUJFWSA-N -1 3 287.363 3.123 20 0 CGADHM Cc1cc(C2(C(=O)Nc3c([O-])cccc3Cl)CC2)on1 ZINC000635963649 351706961 /nfs/dbraw/zinc/70/69/61/351706961.db2.gz NPHOKIWNPRLTQF-UHFFFAOYSA-N -1 3 292.722 3.012 20 0 CGADHM CCc1cc(C(=O)Nc2sc(C)nc2C)ccc1[O-] ZINC000291714849 198068712 /nfs/dbraw/zinc/06/87/12/198068712.db2.gz ARXMYYKOOWTROR-UHFFFAOYSA-N -1 3 276.361 3.280 20 0 CGADHM [O-]C(=NOC1CCCC1)Nc1ccc2c(c1)CCCO2 ZINC000271638578 191253594 /nfs/dbraw/zinc/25/35/94/191253594.db2.gz ANMKLZIGPBMHHA-UHFFFAOYSA-N -1 3 276.336 3.007 20 0 CGADHM O=C([N-]OC1CCCC1)Nc1ccc2c(c1)CCCO2 ZINC000271638578 191253597 /nfs/dbraw/zinc/25/35/97/191253597.db2.gz ANMKLZIGPBMHHA-UHFFFAOYSA-N -1 3 276.336 3.007 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)Cc1c[nH]c2c1cccc2C ZINC000292194257 198197967 /nfs/dbraw/zinc/19/79/67/198197967.db2.gz XAAWZBLUCGOGJB-NSHDSACASA-N -1 3 274.364 3.113 20 0 CGADHM C[C@H](c1ccco1)N(C)C(=O)c1cc([O-])ccc1Cl ZINC000336456842 213323871 /nfs/dbraw/zinc/32/38/71/213323871.db2.gz VSNDSCXEFCEIPN-SECBINFHSA-N -1 3 279.723 3.472 20 0 CGADHM O=C(C[C@H]1C=CCC1)Nc1ccc(Cl)cc1[O-] ZINC000153498144 188085701 /nfs/dbraw/zinc/08/57/01/188085701.db2.gz ZZAPSFSIDRTYPE-VIFPVBQESA-N -1 3 251.713 3.340 20 0 CGADHM Cc1nc(C(C)C)oc1C(=O)[N-]c1nnc(C(C)C)s1 ZINC000292447283 198291277 /nfs/dbraw/zinc/29/12/77/198291277.db2.gz IIMIFVXOFXGSKA-UHFFFAOYSA-N -1 3 294.380 3.334 20 0 CGADHM CC(C)(C(=O)NCc1ccc([O-])c(F)c1)c1cccs1 ZINC000156228337 188250450 /nfs/dbraw/zinc/25/04/50/188250450.db2.gz KICMTBMTNBUYAP-UHFFFAOYSA-N -1 3 293.363 3.187 20 0 CGADHM CCC[C@H](OC)c1noc(-c2ccc(C)cc2[O-])n1 ZINC000157392055 188314959 /nfs/dbraw/zinc/31/49/59/188314959.db2.gz ZWAQPFNVRXUEGT-LBPRGKRZSA-N -1 3 262.309 3.238 20 0 CGADHM O=C([N-]OCC1CC1)Nc1ccccc1CC(F)(F)F ZINC000292588053 198341855 /nfs/dbraw/zinc/34/18/55/198341855.db2.gz CVNBCVFRABGPDK-UHFFFAOYSA-N -1 3 288.269 3.255 20 0 CGADHM CC(C)(C)CCOCSc1nnc(-c2ccccn2)[n-]1 ZINC000292592133 198344240 /nfs/dbraw/zinc/34/42/40/198344240.db2.gz GVLLFJGNSPNUSA-UHFFFAOYSA-N -1 3 292.408 3.369 20 0 CGADHM CC(C)(C)CCOCSc1nc(-c2ccccn2)n[n-]1 ZINC000292592133 198344241 /nfs/dbraw/zinc/34/42/41/198344241.db2.gz GVLLFJGNSPNUSA-UHFFFAOYSA-N -1 3 292.408 3.369 20 0 CGADHM CC(C)(C)CCOCSc1n[n-]c(-c2ccccn2)n1 ZINC000292592133 198344243 /nfs/dbraw/zinc/34/42/43/198344243.db2.gz GVLLFJGNSPNUSA-UHFFFAOYSA-N -1 3 292.408 3.369 20 0 CGADHM O=C([N-]OCC1CC1)Nc1cccc(OC2CCCC2)c1 ZINC000292605026 198348643 /nfs/dbraw/zinc/34/86/43/198348643.db2.gz KAELJOGRVSKBQW-UHFFFAOYSA-N -1 3 290.363 3.471 20 0 CGADHM CC(C)c1ccc(C(=O)N(C(C)C)[C@@H]2CCOC2)c([O-])c1 ZINC000292667817 198369062 /nfs/dbraw/zinc/36/90/62/198369062.db2.gz CFCXGCIKMPDXMQ-CQSZACIVSA-N -1 3 291.391 3.155 20 0 CGADHM C[C@@H]1CC2(CCC2)CN1C(=O)NCc1ccc([O-])c(F)c1 ZINC000336416852 213275034 /nfs/dbraw/zinc/27/50/34/213275034.db2.gz ZFMHCLXHQPHBIJ-LLVKDONJSA-N -1 3 292.354 3.005 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)[C@@H]2CCO[C@H](C)C2)c1[O-] ZINC000271848437 191364238 /nfs/dbraw/zinc/36/42/38/191364238.db2.gz IWQQKJGPVWPFIE-NXEZZACHSA-N -1 3 283.755 3.108 20 0 CGADHM O=c1cc(CSc2ccc(F)cc2)nc(C2CC2)[n-]1 ZINC000412982972 235234438 /nfs/dbraw/zinc/23/44/38/235234438.db2.gz LTMBVODRNNMYNJ-UHFFFAOYSA-N -1 3 276.336 3.491 20 0 CGADHM CCC[C@H]1SCCN1C(=O)c1ccc([O-])c(C)c1 ZINC000272346208 191669875 /nfs/dbraw/zinc/66/98/75/191669875.db2.gz AIBJWJRDNGWNGN-CYBMUJFWSA-N -1 3 265.378 3.016 20 0 CGADHM Cc1c([O-])ccc2c(CN3CCC4(CCC4)C3)cc(=O)oc12 ZINC000123418687 138368113 /nfs/dbraw/zinc/36/81/13/138368113.db2.gz SKMYNUPKFYMHAJ-UHFFFAOYSA-N -1 3 299.370 3.183 20 0 CGADHM O=C(Nc1ccncc1[O-])[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000109888932 138362059 /nfs/dbraw/zinc/36/20/59/138362059.db2.gz DIQSKCIDAKUZGI-NWDGAFQWSA-N -1 3 288.734 3.183 20 0 CGADHM Cc1ccc(C(=O)N2CC[C@@H](C)C[C@H]2C)c([O-])c1C ZINC000425038782 236210051 /nfs/dbraw/zinc/21/00/51/236210051.db2.gz ZNQXXDFACXOMJG-ZYHUDNBSSA-N -1 3 261.365 3.270 20 0 CGADHM Cc1ccc(-c2nnc(NC(=O)[C@H]3CCCC[C@H]3C)[n-]2)o1 ZINC000425201778 236220760 /nfs/dbraw/zinc/22/07/60/236220760.db2.gz OHMNDKGYGZNRPS-KOLCDFICSA-N -1 3 288.351 3.138 20 0 CGADHM Cc1ccc(-c2n[n-]c(NC(=O)[C@H]3CCCC[C@H]3C)n2)o1 ZINC000425201778 236220764 /nfs/dbraw/zinc/22/07/64/236220764.db2.gz OHMNDKGYGZNRPS-KOLCDFICSA-N -1 3 288.351 3.138 20 0 CGADHM Cc1ccc(-c2nc(NC(=O)[C@H]3CCCC[C@H]3C)n[n-]2)o1 ZINC000425201778 236220767 /nfs/dbraw/zinc/22/07/67/236220767.db2.gz OHMNDKGYGZNRPS-KOLCDFICSA-N -1 3 288.351 3.138 20 0 CGADHM CC(C)CC(CC(C)C)C(=O)NCc1ncccc1[O-] ZINC000451337727 535383936 /nfs/dbraw/zinc/38/39/36/535383936.db2.gz GNPHWIPTKMGKNY-UHFFFAOYSA-N -1 3 278.396 3.112 20 0 CGADHM O=C([O-])c1ccc(CNC/C=C\c2ccc(F)cc2)cc1 ZINC000426697224 236306882 /nfs/dbraw/zinc/30/68/82/236306882.db2.gz SRAMCWJMNBPUKG-UPHRSURJSA-N -1 3 285.318 3.327 20 0 CGADHM Cc1ccc([C@H](NCc2cccc(F)c2)C(=O)[O-])cc1 ZINC000426703646 236307183 /nfs/dbraw/zinc/30/71/83/236307183.db2.gz HDRACPYDVXNMQE-HNNXBMFYSA-N -1 3 273.307 3.050 20 0 CGADHM COc1cccc(C(=O)N2CC(C)(C)[C@@H]3CCC[C@@H]32)c1[O-] ZINC000294673988 199129228 /nfs/dbraw/zinc/12/92/28/199129228.db2.gz JGLYUGXOXWNPRF-OLZOCXBDSA-N -1 3 289.375 3.052 20 0 CGADHM [O-]c1ccc(F)c(CN2CC[C@@H](CC(F)(F)F)C2)c1F ZINC000294772553 199175539 /nfs/dbraw/zinc/17/55/39/199175539.db2.gz SZEVCKXMBQKUFY-QMMMGPOBSA-N -1 3 295.251 3.445 20 0 CGADHM [O-]c1cccc(CN2CCC[C@@H]2[C@H]2CCCO2)c1Cl ZINC000294819927 199198990 /nfs/dbraw/zinc/19/89/90/199198990.db2.gz XMZABVPHUGZROD-TZMCWYRMSA-N -1 3 281.783 3.189 20 0 CGADHM CSCCCCCNCc1c(F)ccc([O-])c1F ZINC000294806762 199191541 /nfs/dbraw/zinc/19/15/41/199191541.db2.gz WKOIVFXVBZGANO-UHFFFAOYSA-N -1 3 275.364 3.293 20 0 CGADHM CCN(C)C(=O)[C@@H]([N-]c1nc2cc(C)ccc2o1)C(C)C ZINC000296319811 199853187 /nfs/dbraw/zinc/85/31/87/199853187.db2.gz OFZQRCLYGXLJBI-AWEZNQCLSA-N -1 3 289.379 3.051 20 0 CGADHM CC(C)ON=C([O-])Nc1ccc(Cl)c(OC(F)F)c1 ZINC000296801628 200001654 /nfs/dbraw/zinc/00/16/54/200001654.db2.gz LLVGTUOZQQQGSX-UHFFFAOYSA-N -1 3 294.685 3.403 20 0 CGADHM CC(C)O[N-]C(=O)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000296801628 200001656 /nfs/dbraw/zinc/00/16/56/200001656.db2.gz LLVGTUOZQQQGSX-UHFFFAOYSA-N -1 3 294.685 3.403 20 0 CGADHM Cc1ccc(C(=O)N(C)c2ccc3c(c2)OCO3)c([O-])c1C ZINC000436612431 237144916 /nfs/dbraw/zinc/14/49/16/237144916.db2.gz XXQBWCDUPSLOBY-UHFFFAOYSA-N -1 3 299.326 3.014 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)Nc1cc(OC)c(C)c(OC)c1 ZINC000296838130 200011753 /nfs/dbraw/zinc/01/17/53/200011753.db2.gz FTCZAJBCWTXKAB-JTQLQIEISA-N -1 3 296.367 3.111 20 0 CGADHM Cc1cc(NC([O-])=NOC(C)C)cc(C)c1Cl ZINC000296843923 200012674 /nfs/dbraw/zinc/01/26/74/200012674.db2.gz UFEUCOAGPNMZQP-UHFFFAOYSA-N -1 3 256.733 3.418 20 0 CGADHM Cc1cc(NC(=O)[N-]OC(C)C)cc(C)c1Cl ZINC000296843923 200012675 /nfs/dbraw/zinc/01/26/75/200012675.db2.gz UFEUCOAGPNMZQP-UHFFFAOYSA-N -1 3 256.733 3.418 20 0 CGADHM Cc1ccc(C(=O)N[C@@H]2C[C@H]2c2cccc(F)c2)c([O-])c1 ZINC000436531334 237123616 /nfs/dbraw/zinc/12/36/16/237123616.db2.gz HDUANWAJBPALLV-LSDHHAIUSA-N -1 3 285.318 3.126 20 0 CGADHM Cc1csc([C@@H](C)NC(=O)c2ccc(C)c(C)c2[O-])n1 ZINC000436562434 237127459 /nfs/dbraw/zinc/12/74/59/237127459.db2.gz JOBVLPJRBNKICW-LLVKDONJSA-N -1 3 290.388 3.265 20 0 CGADHM Cc1ccc(C(=O)N2CCC[C@@H](C)[C@H]2C)c([O-])c1C ZINC000436592584 237142195 /nfs/dbraw/zinc/14/21/95/237142195.db2.gz WQUUNERCZSGVPR-DGCLKSJQSA-N -1 3 261.365 3.270 20 0 CGADHM Cc1ccc(C(=O)N2CCc3cccc(F)c32)c([O-])c1 ZINC000436594530 237142615 /nfs/dbraw/zinc/14/26/15/237142615.db2.gz JEOZBXYILXJFMC-UHFFFAOYSA-N -1 3 271.291 3.043 20 0 CGADHM [O-]c1ccccc1-c1nc(CSCC2CC2)no1 ZINC000436600026 237142866 /nfs/dbraw/zinc/14/28/66/237142866.db2.gz ZGVMWKRDVBJXRI-UHFFFAOYSA-N -1 3 262.334 3.085 20 0 CGADHM CC(C)ON=C([O-])Nc1ccc(F)cc1OCC1CC1 ZINC000296914161 200033750 /nfs/dbraw/zinc/03/37/50/200033750.db2.gz PLTFLSSGAZLZCC-UHFFFAOYSA-N -1 3 282.315 3.076 20 0 CGADHM CC(C)O[N-]C(=O)Nc1ccc(F)cc1OCC1CC1 ZINC000296914161 200033752 /nfs/dbraw/zinc/03/37/52/200033752.db2.gz PLTFLSSGAZLZCC-UHFFFAOYSA-N -1 3 282.315 3.076 20 0 CGADHM Cc1ccc([O-])c(C(=O)NC[C@@H](C)c2ccc(F)cc2)c1 ZINC000436720189 237166927 /nfs/dbraw/zinc/16/69/27/237166927.db2.gz DUSNXJKQRULNMM-GFCCVEGCSA-N -1 3 287.334 3.373 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2Cc3ccccc3OC[C@H]2C)c1 ZINC000436729543 237168998 /nfs/dbraw/zinc/16/89/98/237168998.db2.gz BHDCSVCZPRVYAE-CYBMUJFWSA-N -1 3 297.354 3.124 20 0 CGADHM O=C(NC1CC1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436752501 237175845 /nfs/dbraw/zinc/17/58/45/237175845.db2.gz BIWREHPQTJAKRT-UHFFFAOYSA-N -1 3 269.300 3.077 20 0 CGADHM Cc1ccccc1C[C@@H](C)NC(=O)c1cccc(C)c1[O-] ZINC000436782163 237177915 /nfs/dbraw/zinc/17/79/15/237177915.db2.gz HTCAEEMASMJPSQ-CQSZACIVSA-N -1 3 283.371 3.370 20 0 CGADHM COCCN(CC(C)C)C(=O)c1ccc(C(C)C)cc1[O-] ZINC000436761822 237179626 /nfs/dbraw/zinc/17/96/26/237179626.db2.gz PKCPGKGRPWLLSU-UHFFFAOYSA-N -1 3 293.407 3.260 20 0 CGADHM Cc1ccc(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)nc1 ZINC000436773325 237179993 /nfs/dbraw/zinc/17/99/93/237179993.db2.gz IKAOAJCDQSQLSF-UHFFFAOYSA-N -1 3 298.342 3.061 20 0 CGADHM Cc1cc(C(=O)N[C@@H](C)CCc2ccc(O)cc2)ccc1[O-] ZINC000436935482 237219226 /nfs/dbraw/zinc/21/92/26/237219226.db2.gz CHZNDMLDUCXZAG-ZDUSSCGKSA-N -1 3 299.370 3.157 20 0 CGADHM Cc1cc(C(=O)Nc2ccccc2[O-])nn1[C@@H](C)C1CC1 ZINC000436863749 237197421 /nfs/dbraw/zinc/19/74/21/237197421.db2.gz LJTFSVAEJLHBGS-NSHDSACASA-N -1 3 285.347 3.120 20 0 CGADHM Cc1ccc(C(=O)NC[C@H]2CCc3ccccc32)c([O-])c1C ZINC000436866056 237197481 /nfs/dbraw/zinc/19/74/81/237197481.db2.gz WFMFJLDUOCOHCP-OAHLLOKOSA-N -1 3 295.382 3.469 20 0 CGADHM Cc1cc(C)cc(CN(C)C(=O)c2ccccc2[O-])c1 ZINC000436866406 237198227 /nfs/dbraw/zinc/19/82/27/237198227.db2.gz XJTXAABWCBXAGI-UHFFFAOYSA-N -1 3 269.344 3.281 20 0 CGADHM Cc1cc(C(=O)N[C@@H](C)Cc2ccccc2F)ccc1[O-] ZINC000436894668 237203949 /nfs/dbraw/zinc/20/39/49/237203949.db2.gz FYSNFHGISCRZOR-LBPRGKRZSA-N -1 3 287.334 3.201 20 0 CGADHM CCc1cc(C(=O)NCCCc2ncccc2C)ccc1[O-] ZINC000297111962 200087429 /nfs/dbraw/zinc/08/74/29/200087429.db2.gz SGKLMRLOVCZDQF-UHFFFAOYSA-N -1 3 298.386 3.021 20 0 CGADHM [O-]C(=NOC/C=C/Cl)Nc1ccc(C2CCC2)cn1 ZINC000297270654 200131539 /nfs/dbraw/zinc/13/15/39/200131539.db2.gz YULDZLALTIFJFB-FARCUNLSSA-N -1 3 281.743 3.155 20 0 CGADHM O=C([N-]OC/C=C/Cl)Nc1ccc(C2CCC2)cn1 ZINC000297270654 200131540 /nfs/dbraw/zinc/13/15/40/200131540.db2.gz YULDZLALTIFJFB-FARCUNLSSA-N -1 3 281.743 3.155 20 0 CGADHM CCOc1cc(CNCc2cc(C)no2)cc(Cl)c1[O-] ZINC000297654922 200253847 /nfs/dbraw/zinc/25/38/47/200253847.db2.gz NMWUHIQCSSPNHZ-UHFFFAOYSA-N -1 3 296.754 3.031 20 0 CGADHM Cc1ccc(Br)c(NC(=O)[N-]OCC2CC2)c1 ZINC000297723855 200269240 /nfs/dbraw/zinc/26/92/40/200269240.db2.gz JXUVOYQFISBZLY-UHFFFAOYSA-N -1 3 299.168 3.221 20 0 CGADHM COc1cc(F)c([N-]C(=O)c2cc(C3CC3)on2)cc1F ZINC000176971992 189017383 /nfs/dbraw/zinc/01/73/83/189017383.db2.gz IXAUKKFJLQTWGK-UHFFFAOYSA-N -1 3 294.257 3.091 20 0 CGADHM COc1ccc([C@H]2CCCN2C(=O)c2cccc([O-])c2)cc1 ZINC000176982026 189018731 /nfs/dbraw/zinc/01/87/31/189018731.db2.gz QTFDWMQAGZOXHO-QGZVFWFLSA-N -1 3 297.354 3.378 20 0 CGADHM C[C@@H](C(=O)Nc1cc(F)ccc1[O-])c1ccsc1 ZINC000335887451 212661327 /nfs/dbraw/zinc/66/13/27/212661327.db2.gz QKXSKXUZWROFFY-MRVPVSSYSA-N -1 3 265.309 3.335 20 0 CGADHM Cc1ccc2[n-]cc(C(=O)N3C[C@@H](C)CC[C@H]3C)c(=O)c2c1 ZINC000342059968 216204468 /nfs/dbraw/zinc/20/44/68/216204468.db2.gz JQFKHAYBEDSRDS-QWHCGFSZSA-N -1 3 298.386 3.097 20 0 CGADHM CCC[C@@H]1CCCCN1C(=O)c1cc(OC)ccc1[O-] ZINC000179512396 189199091 /nfs/dbraw/zinc/19/90/91/189199091.db2.gz QUSQZGGFJPJZRV-GFCCVEGCSA-N -1 3 277.364 3.196 20 0 CGADHM CCc1cc(=O)[n-]c(CN[C@H](C)c2cccc(Cl)c2)n1 ZINC000181412092 189296359 /nfs/dbraw/zinc/29/63/59/189296359.db2.gz OXQDDDPIWGUHJM-SNVBAGLBSA-N -1 3 291.782 3.249 20 0 CGADHM CC[C@H](c1ccncc1)N(C)C(=O)c1cccc([O-])c1 ZINC000182483052 189325647 /nfs/dbraw/zinc/32/56/47/189325647.db2.gz DBHUEXLXZLGBBI-OAHLLOKOSA-N -1 3 270.332 3.011 20 0 CGADHM C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)c1cccc([O-])c1 ZINC000182577146 189328367 /nfs/dbraw/zinc/32/83/67/189328367.db2.gz OSANUIWVFJMMNW-DYVFJYSZSA-N -1 3 281.355 3.410 20 0 CGADHM CCO[N-]C(=O)Nc1ccc(C)c(NC(=O)C(C)(C)C)c1 ZINC000184020466 189374724 /nfs/dbraw/zinc/37/47/24/189374724.db2.gz PYOGICCZQQYDSQ-UHFFFAOYSA-N -1 3 293.367 3.053 20 0 CGADHM CCc1cc(=O)[n-]c(-c2ccc(N3[C@H](C)CC[C@@H]3C)nc2)n1 ZINC000301880648 201245562 /nfs/dbraw/zinc/24/55/62/201245562.db2.gz HZAFVGCOPRWAOX-TXEJJXNPSA-N -1 3 298.390 3.184 20 0 CGADHM O=S(=O)([N-]CCCCF)c1ccc2ccccc2c1F ZINC000451563035 240326165 /nfs/dbraw/zinc/32/61/65/240326165.db2.gz GBFVIMSEWSAQCY-UHFFFAOYSA-N -1 3 299.342 3.007 20 0 CGADHM C[C@@]1(NC(=O)c2cc([O-])ccc2Cl)CC=CCC1 ZINC000335577835 212288852 /nfs/dbraw/zinc/28/88/52/212288852.db2.gz HCRSPQOSJWSWGW-CQSZACIVSA-N -1 3 265.740 3.274 20 0 CGADHM O=C([O-])c1ccc(CN2CCC[C@@H]2c2cccnc2)cc1 ZINC000455666809 241307409 /nfs/dbraw/zinc/30/74/09/241307409.db2.gz WDRFBHIXNIVFBV-MRXNPFEDSA-N -1 3 282.343 3.117 20 0 CGADHM CC(C)[C@@H]1CN(C(=O)c2cccc([O-])c2)[C@H]1C(C)C ZINC000456308917 241399042 /nfs/dbraw/zinc/39/90/42/241399042.db2.gz YXIUCTIPMKFWRH-GJZGRUSLSA-N -1 3 261.365 3.145 20 0 CGADHM O=c1cc(CN2CCC[C@@H]3CCCC[C@H]32)nc(C2CC2)[n-]1 ZINC000459288671 242054487 /nfs/dbraw/zinc/05/44/87/242054487.db2.gz JJIMSRCKBUESKE-SWLSCSKDSA-N -1 3 287.407 3.214 20 0 CGADHM CC[C@@H]1CC[N@H+](Cc2cc(=O)[n-]c(-c3ccccc3)n2)C1 ZINC000459350622 242086918 /nfs/dbraw/zinc/08/69/18/242086918.db2.gz VSVIVHKWZOZZLD-CYBMUJFWSA-N -1 3 283.375 3.081 20 0 CGADHM CC[C@@H]1CCN(Cc2cc(=O)[n-]c(-c3ccccc3)n2)C1 ZINC000459350622 242086926 /nfs/dbraw/zinc/08/69/26/242086926.db2.gz VSVIVHKWZOZZLD-CYBMUJFWSA-N -1 3 283.375 3.081 20 0 CGADHM CCC1(C)CN(Cc2cccc([O-])c2Br)C1 ZINC000459637388 242158829 /nfs/dbraw/zinc/15/88/29/242158829.db2.gz RQEOJLYSNLGXOP-UHFFFAOYSA-N -1 3 284.197 3.387 20 0 CGADHM [O-]c1cccc(CN[C@@H]2CCC[C@@H]3C[C@@H]32)c1Br ZINC000459773060 242226777 /nfs/dbraw/zinc/22/67/77/242226777.db2.gz SIGZUYTYNRBKKT-ADEWGFFLSA-N -1 3 296.208 3.433 20 0 CGADHM C[C@H]1[C@H](C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)C1(F)F ZINC000461451213 242307138 /nfs/dbraw/zinc/30/71/38/242307138.db2.gz COIURTPHQAYGJO-SSDLBLMSSA-N -1 3 295.207 3.251 20 0 CGADHM CCC(C)(C)CC(=O)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000467221319 242594226 /nfs/dbraw/zinc/59/42/26/242594226.db2.gz YTFZBFCGSGJQMM-UHFFFAOYSA-N -1 3 271.364 3.263 20 0 CGADHM Cc1ccccc1-c1cc(=NC(=O)[C@H]2C[C@@H]2C(C)C)[nH][n-]1 ZINC000477621353 243050034 /nfs/dbraw/zinc/05/00/34/243050034.db2.gz YWRNUVOYUNQTPK-KGLIPLIRSA-N -1 3 283.375 3.038 20 0 CGADHM Cc1ccc([O-])c(C(=O)N[C@@H](c2ccccc2)C(F)F)c1 ZINC000482007609 243213101 /nfs/dbraw/zinc/21/31/01/243213101.db2.gz HMDNWIIBRUUFPO-AWEZNQCLSA-N -1 3 291.297 3.437 20 0 CGADHM C[C@H](C(=O)N=c1cc(-c2ccccc2)[n-][nH]1)c1ccccc1 ZINC000482829525 243244722 /nfs/dbraw/zinc/24/47/22/243244722.db2.gz STMWTKRUDFVLOQ-ZDUSSCGKSA-N -1 3 291.354 3.241 20 0 CGADHM CCc1cc(C(=O)N[C@H]2C[C@H]2c2ccccc2)ccc1[O-] ZINC000485928631 243349338 /nfs/dbraw/zinc/34/93/38/243349338.db2.gz DCFZXZUHASKLQU-HOTGVXAUSA-N -1 3 281.355 3.241 20 0 CGADHM Oc1[n-]c(SCc2cc3ccccc3o2)nc2nncc1-2 ZINC000486922643 243380377 /nfs/dbraw/zinc/38/03/77/243380377.db2.gz FYAJDYFNSKVOSU-UHFFFAOYSA-N -1 3 298.327 3.097 20 0 CGADHM Cc1cc([N-]C(=O)[C@@H](C)Nc2cccc(C)c2C)on1 ZINC000010946033 368587690 /nfs/dbraw/zinc/58/76/90/368587690.db2.gz NZCXZKPAEBJGDU-GFCCVEGCSA-N -1 3 273.336 3.039 20 0 CGADHM CCN(Cc1cc(C(=O)[O-])oc1C)Cc1ccccc1 ZINC000011860997 368598031 /nfs/dbraw/zinc/59/80/31/368598031.db2.gz GMHZZTDCCIRGMH-UHFFFAOYSA-N -1 3 273.332 3.308 20 0 CGADHM COc1ccc(Cl)cc1NC(=O)c1cccc([O-])c1 ZINC000019838646 368770242 /nfs/dbraw/zinc/77/02/42/368770242.db2.gz REJXXOSXFIIFMD-UHFFFAOYSA-N -1 3 277.707 3.307 20 0 CGADHM Cc1ccc(F)c(S(=O)(=O)[N-][C@H](C)c2ccccc2)c1 ZINC000032400692 368931498 /nfs/dbraw/zinc/93/14/98/368931498.db2.gz VWCJSIGKVAUKRQ-GFCCVEGCSA-N -1 3 293.363 3.174 20 0 CGADHM CCc1ccc(/C=C\C(=O)Nc2ccc([O-])cc2F)o1 ZINC000492627767 243996722 /nfs/dbraw/zinc/99/67/22/243996722.db2.gz BAPKUGCYTMSBQG-VURMDHGXSA-N -1 3 275.279 3.339 20 0 CGADHM CCCC[C@H](CC)C[N-]S(=O)(=O)c1ccccc1F ZINC000040422694 369154483 /nfs/dbraw/zinc/15/44/83/369154483.db2.gz MWTZLQZAHAOGLP-LBPRGKRZSA-N -1 3 287.400 3.320 20 0 CGADHM O=C(/C=C/Sc1ccccc1)[N-]OC/C=C/Cl ZINC000493125842 244103118 /nfs/dbraw/zinc/10/31/18/244103118.db2.gz GZGWOQJPOJDDNC-AJQRHIRFSA-N -1 3 269.753 3.093 20 0 CGADHM Cc1cc(CN(C)[C@@H](C)C(C)(C)C)oc1C(=O)[O-] ZINC000042771142 369230558 /nfs/dbraw/zinc/23/05/58/369230558.db2.gz MGBOYAVDKHFUPI-JTQLQIEISA-N -1 3 253.342 3.153 20 0 CGADHM CCc1c(C)sc2[nH]c(-c3ccc([O-])cc3)nc(=O)c12 ZINC000046438338 369294322 /nfs/dbraw/zinc/29/43/22/369294322.db2.gz FUGKRSZVSHVYLK-UHFFFAOYSA-N -1 3 286.356 3.228 20 0 CGADHM Cc1ccc(NC(=O)[C@@H](C)OCCC(C)C)c([O-])c1 ZINC000049287918 369395386 /nfs/dbraw/zinc/39/53/86/369395386.db2.gz OLVDHIYDMWAXEL-GFCCVEGCSA-N -1 3 265.353 3.090 20 0 CGADHM CC[C@@H](NC(=O)c1cccc([O-])c1)c1ccccc1 ZINC000051629076 369450500 /nfs/dbraw/zinc/45/05/00/369450500.db2.gz BSUHKZDIBZXEML-OAHLLOKOSA-N -1 3 255.317 3.273 20 0 CGADHM Cc1ccc([O-])c(C(=O)N(C)CCc2cccs2)c1 ZINC000075201323 369898969 /nfs/dbraw/zinc/89/89/69/369898969.db2.gz KKFCNKDGUBWPBF-UHFFFAOYSA-N -1 3 275.373 3.077 20 0 CGADHM O=C([O-])CC[C@H]1CCCCN1Cc1ccc(F)c(F)c1 ZINC000086755032 370022464 /nfs/dbraw/zinc/02/24/64/370022464.db2.gz KSLZOUQEORZRHF-GFCCVEGCSA-N -1 3 283.318 3.184 20 0 CGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)CC(CC)CC ZINC000093317205 370119023 /nfs/dbraw/zinc/11/90/23/370119023.db2.gz UMHLBDUPUFXVNA-UHFFFAOYSA-N -1 3 296.367 3.179 20 0 CGADHM Cc1ccc(-c2nc(-c3ccsc3)no2)c([O-])c1 ZINC000104412756 370345106 /nfs/dbraw/zinc/34/51/06/370345106.db2.gz AXXIDVDPGZEXCM-UHFFFAOYSA-N -1 3 258.302 3.479 20 0 CGADHM CCN(C(=O)c1ccccc1[O-])[C@H](C)c1cccnc1 ZINC000115230124 370526774 /nfs/dbraw/zinc/52/67/74/370526774.db2.gz OTRMELUBSSRHHY-GFCCVEGCSA-N -1 3 270.332 3.011 20 0 CGADHM Cc1oc2ncnc([N-]C(=O)c3ccc(Cl)o3)c2c1C ZINC000118201028 370606414 /nfs/dbraw/zinc/60/64/14/370606414.db2.gz AHOVKMZOXNPNOW-UHFFFAOYSA-N -1 3 291.694 3.338 20 0 CGADHM Cc1ccc([O-])c(CN(C)[C@H](C)c2ccccc2F)n1 ZINC000129714362 370998365 /nfs/dbraw/zinc/99/83/65/370998365.db2.gz DLTBUSWERZMFPE-GFCCVEGCSA-N -1 3 274.339 3.428 20 0 CGADHM CC[C@@H](C)c1cc(C(=O)[N-]c2nc(C(C)=O)cs2)on1 ZINC000131869772 371134992 /nfs/dbraw/zinc/13/49/92/371134992.db2.gz RRBSAOKTQQIBIB-SSDOTTSWSA-N -1 3 293.348 3.100 20 0 CGADHM COc1ccccc1C[C@H](C)N(C)C(=O)c1cccc([O-])c1 ZINC000131953684 371141571 /nfs/dbraw/zinc/14/15/71/371141571.db2.gz FJQKYLHAUWVIOR-ZDUSSCGKSA-N -1 3 299.370 3.104 20 0 CGADHM O=C(Cc1ccc([O-])cc1Cl)N1CCC[C@@H]1C1CCC1 ZINC000132218754 371159548 /nfs/dbraw/zinc/15/95/48/371159548.db2.gz UTZBCJGDPDIGLN-OAHLLOKOSA-N -1 3 293.794 3.379 20 0 CGADHM Cc1oc(C(=O)[O-])cc1CN1[C@H](C)CCC[C@H]1C ZINC000011803679 541851117 /nfs/dbraw/zinc/85/11/17/541851117.db2.gz SOEOHFWKHJSGSE-NXEZZACHSA-N -1 3 251.326 3.049 20 0 CGADHM Cc1ccc2[n-]cc(C(=O)N3CC(C)(C)C[C@H]3C)c(=O)c2c1 ZINC000331952445 204328344 /nfs/dbraw/zinc/32/83/44/204328344.db2.gz IHNFVWYLXRJHAF-GFCCVEGCSA-N -1 3 298.386 3.097 20 0 CGADHM O=C(NC(C1CCC1)C1CCC1)c1cccc([O-])c1 ZINC000286833971 371560165 /nfs/dbraw/zinc/56/01/65/371560165.db2.gz YNZJUKFJGOKSDV-UHFFFAOYSA-N -1 3 259.349 3.091 20 0 CGADHM CC[C@@H]1C[C@H](NC(=O)c2ccc(C(C)C)cc2[O-])CCO1 ZINC000421969179 371717169 /nfs/dbraw/zinc/71/71/69/371717169.db2.gz OJVGQSYGTUEAOE-ZIAGYGMSSA-N -1 3 291.391 3.203 20 0 CGADHM Cc1ccc(C)c(NC([O-])=NOC/C=C/Cl)c1 ZINC000289760798 371812563 /nfs/dbraw/zinc/81/25/63/371812563.db2.gz FWQSRUDJCVSFNP-ZZXKWVIFSA-N -1 3 254.717 3.109 20 0 CGADHM Cc1ccc(C)c(NC(=O)[N-]OC/C=C/Cl)c1 ZINC000289760798 371812572 /nfs/dbraw/zinc/81/25/72/371812572.db2.gz FWQSRUDJCVSFNP-ZZXKWVIFSA-N -1 3 254.717 3.109 20 0 CGADHM CCC[C@H](NC(=O)c1csc(=O)[n-]1)c1ccccc1 ZINC000344112897 217056633 /nfs/dbraw/zinc/05/66/33/217056633.db2.gz AYPFGYZNOXXLAB-NSHDSACASA-N -1 3 276.361 3.120 20 0 CGADHM CC(C)CSCCNC(=O)c1cc([O-])ccc1Cl ZINC000291092656 372114711 /nfs/dbraw/zinc/11/47/11/372114711.db2.gz QRZBDXFUBGXWRG-UHFFFAOYSA-N -1 3 287.812 3.165 20 0 CGADHM Cc1ccc2c(c1)C(=O)N(C)[C@H](c1ccc([O-])c(F)c1)N2 ZINC000159196809 372116617 /nfs/dbraw/zinc/11/66/17/372116617.db2.gz GDYDSLIRUUQIPQ-OAHLLOKOSA-N -1 3 286.306 3.036 20 0 CGADHM Cc1sc(CNCc2nc(C)ccc2[O-])nc1C(C)C ZINC000344190088 217091648 /nfs/dbraw/zinc/09/16/48/217091648.db2.gz ZZERXGXPJHOQNF-UHFFFAOYSA-N -1 3 291.420 3.274 20 0 CGADHM COCC(C)(C)CCCNC(=O)c1cc([O-])ccc1Cl ZINC000291016038 372095041 /nfs/dbraw/zinc/09/50/41/372095041.db2.gz XITJWONREIEXIO-UHFFFAOYSA-N -1 3 299.798 3.228 20 0 CGADHM O=C([N-]OCC1CC1)Nc1cccc(C(F)F)c1 ZINC000292954603 372259960 /nfs/dbraw/zinc/25/99/60/372259960.db2.gz OLPHHVCCNDEANR-UHFFFAOYSA-N -1 3 256.252 3.087 20 0 CGADHM COCCc1ccnc(NCc2cccc([O-])c2Cl)c1 ZINC000293007524 372276686 /nfs/dbraw/zinc/27/66/86/372276686.db2.gz PKCLVNACBAHOIK-UHFFFAOYSA-N -1 3 292.766 3.242 20 0 CGADHM [O-]c1cccc(CN[C@@H]2CCOC3(CCC3)C2)c1Cl ZINC000293150698 372311830 /nfs/dbraw/zinc/31/18/30/372311830.db2.gz DUALXNMEQWCYIF-GFCCVEGCSA-N -1 3 281.783 3.237 20 0 CGADHM Cc1nc(C(C)C)oc1C(=O)Nc1ccccc1[O-] ZINC000293221997 372330302 /nfs/dbraw/zinc/33/03/02/372330302.db2.gz CIHSUYAGWIQYAC-UHFFFAOYSA-N -1 3 260.293 3.064 20 0 CGADHM Cc1ccc([O-])c(CN[C@]2(C)CCCc3ccccc32)n1 ZINC000344351367 217165179 /nfs/dbraw/zinc/16/51/79/217165179.db2.gz PHCMWRYNYBIZIS-GOSISDBHSA-N -1 3 282.387 3.437 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)c2ncoc2C2CC2)c1[O-] ZINC000293466175 372389847 /nfs/dbraw/zinc/38/98/47/372389847.db2.gz NSBOVBNLGAVJDP-UHFFFAOYSA-N -1 3 292.722 3.472 20 0 CGADHM Cc1cnc([N-]c2ncnc3oc(C)c(C)c32)s1 ZINC000163074525 372444357 /nfs/dbraw/zinc/44/43/57/372444357.db2.gz OLSDBBRGXHVNNH-UHFFFAOYSA-N -1 3 260.322 3.348 20 0 CGADHM Cc1noc(C)c1C[C@@H](C)NCc1cccc([O-])c1Cl ZINC000293679833 372448258 /nfs/dbraw/zinc/44/82/58/372448258.db2.gz VKZHMTHHARHXSO-SECBINFHSA-N -1 3 294.782 3.371 20 0 CGADHM Cc1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C(C)(C)C)c1 ZINC000431577276 372485975 /nfs/dbraw/zinc/48/59/75/372485975.db2.gz GHYIVOJKMYDAIY-UHFFFAOYSA-N -1 3 287.400 3.237 20 0 CGADHM CC[C@H]1CCCCN1C(=O)NCc1ccc([O-])c(F)c1 ZINC000163763431 372492105 /nfs/dbraw/zinc/49/21/05/372492105.db2.gz JZOGPTKCSGBUNR-LBPRGKRZSA-N -1 3 280.343 3.005 20 0 CGADHM CSC[C@@H]1CCCN(Cc2c(F)ccc([O-])c2F)C1 ZINC000293868072 372506082 /nfs/dbraw/zinc/50/60/82/372506082.db2.gz IRRITFLCEJMAFO-SNVBAGLBSA-N -1 3 287.375 3.245 20 0 CGADHM Cc1ccc([O-])c(C(=O)N(C2CCC2)C2CCC2)c1 ZINC000293868780 372506320 /nfs/dbraw/zinc/50/63/20/372506320.db2.gz LCCMRLXZTKNJDH-UHFFFAOYSA-N -1 3 259.349 3.248 20 0 CGADHM [O-]c1ccc(F)c(CN2CCC[C@@H]2c2ccncc2)c1F ZINC000294094582 372580060 /nfs/dbraw/zinc/58/00/60/372580060.db2.gz ZVOWDTMENVHCBV-CQSZACIVSA-N -1 3 290.313 3.403 20 0 CGADHM CC(C)C[C@H](NCc1cccc(Cl)c1F)C(=O)[O-] ZINC000166738773 372581094 /nfs/dbraw/zinc/58/10/94/372581094.db2.gz QTXSMCYSTLPRGX-NSHDSACASA-N -1 3 273.735 3.068 20 0 CGADHM COCc1ccc(CNCc2cccc([O-])c2Cl)cc1 ZINC000294252650 372628379 /nfs/dbraw/zinc/62/83/79/372628379.db2.gz UQQCEVGALANSBM-UHFFFAOYSA-N -1 3 291.778 3.482 20 0 CGADHM COc1ccc([C@@H](C)NC(=O)c2cccc([O-])c2)cc1F ZINC000171105840 372713034 /nfs/dbraw/zinc/71/30/34/372713034.db2.gz IVDRCQQMEQUGAV-SNVBAGLBSA-N -1 3 289.306 3.031 20 0 CGADHM COC(=O)c1ccc(/C=C/c2ccc3cccc([O-])c3n2)[nH]1 ZINC000435168048 372735399 /nfs/dbraw/zinc/73/53/99/372735399.db2.gz HPMPUTHSWJOXRQ-BQYQJAHWSA-N -1 3 294.310 3.226 20 0 CGADHM CC[C@H](CC(=O)[N-]OC(C)C)c1ccc(OC)cc1 ZINC000295555429 372825399 /nfs/dbraw/zinc/82/53/99/372825399.db2.gz MFTTYPSSXMWFGP-GFCCVEGCSA-N -1 3 265.353 3.035 20 0 CGADHM CS[C@H]1CCN(C(=O)c2ccc(C(C)C)cc2[O-])C1 ZINC000295529983 372815478 /nfs/dbraw/zinc/81/54/78/372815478.db2.gz JOTNWGCFAHXCJZ-LBPRGKRZSA-N -1 3 279.405 3.093 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2[C@@H](C)CC[C@@H]2CC)c1 ZINC000436762841 372840273 /nfs/dbraw/zinc/84/02/73/372840273.db2.gz DGFZDSFNZBKCBU-AAEUAGOBSA-N -1 3 261.365 3.358 20 0 CGADHM CCn1cc([C@H](C)[N-]c2nc(-c3ccc(C)cc3)no2)cn1 ZINC000295862895 372939946 /nfs/dbraw/zinc/93/99/46/372939946.db2.gz BZOWKTBLWHYQSX-LBPRGKRZSA-N -1 3 297.362 3.435 20 0 CGADHM CC/C=C/CNC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000295977798 372981021 /nfs/dbraw/zinc/98/10/21/372981021.db2.gz PHYNUXHYIQRRBZ-ONEGZZNKSA-N -1 3 273.254 3.107 20 0 CGADHM CSCC1CCC(NC(=O)c2cccc([O-])c2)CC1 ZINC000295983240 372984379 /nfs/dbraw/zinc/98/43/79/372984379.db2.gz KGTKDKTZDURKMP-UHFFFAOYSA-N -1 3 279.405 3.044 20 0 CGADHM CCc1cc(=O)[n-]c(CN2CCC[C@H]2C(C)(C)CC)n1 ZINC000441641174 373030692 /nfs/dbraw/zinc/03/06/92/373030692.db2.gz CCNJPALPDVDCBA-ZDUSSCGKSA-N -1 3 277.412 3.145 20 0 CGADHM C[C@H](CCCc1ccccc1)C(=O)Nc1ncccc1[O-] ZINC000344816837 217320492 /nfs/dbraw/zinc/32/04/92/217320492.db2.gz XKTNRPCDHPGRHZ-CYBMUJFWSA-N -1 3 284.359 3.385 20 0 CGADHM COc1cccc(C(=O)N2[C@@H](C)C[C@@H]3CCCC[C@@H]32)c1[O-] ZINC000173050914 373085042 /nfs/dbraw/zinc/08/50/42/373085042.db2.gz POCYXZIPRYUUKA-OBJOEFQTSA-N -1 3 289.375 3.194 20 0 CGADHM COc1cc(C(=O)N[C@@H](C)Cc2ccccc2C)ccc1[O-] ZINC000442743630 373072181 /nfs/dbraw/zinc/07/21/81/373072181.db2.gz ZWIWESOYIXWIKU-ZDUSSCGKSA-N -1 3 299.370 3.070 20 0 CGADHM COc1cc(C(=O)N[C@H](C)Cc2ccccc2C)ccc1[O-] ZINC000442743626 373072337 /nfs/dbraw/zinc/07/23/37/373072337.db2.gz ZWIWESOYIXWIKU-CYBMUJFWSA-N -1 3 299.370 3.070 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CCCC[C@H]2c2cccn2C)c1 ZINC000173550000 373156653 /nfs/dbraw/zinc/15/66/53/373156653.db2.gz WXNHLYYUYYHERY-INIZCTEOSA-N -1 3 298.386 3.407 20 0 CGADHM O=C(Nc1ccc(OC(F)(F)F)cc1[O-])C1=CCCC1 ZINC000442921581 373127715 /nfs/dbraw/zinc/12/77/15/373127715.db2.gz JMCPMXOOVRMMOG-UHFFFAOYSA-N -1 3 287.237 3.340 20 0 CGADHM C[C@@H]1C[C@@H]([N-]c2nnc(C(F)F)o2)c2ccccc2O1 ZINC000296441711 373134947 /nfs/dbraw/zinc/13/49/47/373134947.db2.gz ZLBNSUQHADGJAU-VXNVDRBHSA-N -1 3 281.262 3.331 20 0 CGADHM CC[C@@H](C)CON=C([O-])Nc1cc(F)cc(F)c1F ZINC000296632295 373201852 /nfs/dbraw/zinc/20/18/52/373201852.db2.gz DGJCXQAPBWSDLP-SSDOTTSWSA-N -1 3 276.258 3.203 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)Nc1cc(F)cc(F)c1F ZINC000296632295 373201854 /nfs/dbraw/zinc/20/18/54/373201854.db2.gz DGJCXQAPBWSDLP-SSDOTTSWSA-N -1 3 276.258 3.203 20 0 CGADHM C[C@H](C(=O)Nc1cc(Cl)ccc1[O-])c1cccnc1 ZINC000174066107 373243270 /nfs/dbraw/zinc/24/32/70/373243270.db2.gz ADFYHMBSHAOHSH-VIFPVBQESA-N -1 3 276.723 3.183 20 0 CGADHM COc1cccc(C(=O)N(Cc2ccco2)C(C)C)c1[O-] ZINC000298436423 373328336 /nfs/dbraw/zinc/32/83/36/373328336.db2.gz XYSIDUFVLQWEIX-UHFFFAOYSA-N -1 3 289.331 3.045 20 0 CGADHM O=C(Nc1cccc(-c2cnco2)c1)c1c([O-])cccc1O ZINC000447551010 373450206 /nfs/dbraw/zinc/45/02/06/373450206.db2.gz JIJHNOMUWGOTHY-UHFFFAOYSA-N -1 3 296.282 3.005 20 0 CGADHM Cc1ccc([O-])c(NC(=O)C2(CC(C)C)CCC2)n1 ZINC000447634227 373468293 /nfs/dbraw/zinc/46/82/93/373468293.db2.gz NDYWFVFSFSZOKY-UHFFFAOYSA-N -1 3 262.353 3.251 20 0 CGADHM Cc1ccc([O-])c(NC(=O)CCSc2ccccc2)n1 ZINC000447634355 373468456 /nfs/dbraw/zinc/46/84/56/373468456.db2.gz PAPCAMUYINBVCF-UHFFFAOYSA-N -1 3 288.372 3.217 20 0 CGADHM C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)c1ccc(O)cc1[O-] ZINC000175740476 373512217 /nfs/dbraw/zinc/51/22/17/373512217.db2.gz JJYHXWSNWJYXSZ-DOMZBBRYSA-N -1 3 297.354 3.116 20 0 CGADHM Cc1cc(C)cc(CN(C)[C@H](C)c2nc(C)cc(=O)[n-]2)c1 ZINC000447879471 373513460 /nfs/dbraw/zinc/51/34/60/373513460.db2.gz QRKXSLYMUSYAPA-CQSZACIVSA-N -1 3 285.391 3.300 20 0 CGADHM Cc1cccc([C@H]2CCN([C@@H](C)c3nc(C)cc(=O)[n-]3)C2)c1 ZINC000447887979 373516679 /nfs/dbraw/zinc/51/66/79/373516679.db2.gz HZBTVVLGDDFRQY-HOCLYGCPSA-N -1 3 297.402 3.350 20 0 CGADHM Cc1nc(CCCC(=O)Nc2ccccc2[O-])cs1 ZINC000176123141 373556653 /nfs/dbraw/zinc/55/66/53/373556653.db2.gz KAPLSEFTOCWJFN-UHFFFAOYSA-N -1 3 276.361 3.119 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000448604301 373622287 /nfs/dbraw/zinc/62/22/87/373622287.db2.gz CRCHUYKXCUSZPP-HIFRSBDPSA-N -1 3 291.366 3.255 20 0 CGADHM C[C@@H]1CCCN(Cc2cccc(Cl)c2F)[C@H]1C(=O)[O-] ZINC000300274618 373623935 /nfs/dbraw/zinc/62/39/35/373623935.db2.gz TXINGRPCYIUHHD-NOZJJQNGSA-N -1 3 285.746 3.164 20 0 CGADHM [O-]c1ccc(Br)c(CN2CC[C@@H]2C2CC2)c1 ZINC000449426984 373702096 /nfs/dbraw/zinc/70/20/96/373702096.db2.gz MFXGQKTWQWZOAZ-CYBMUJFWSA-N -1 3 282.181 3.139 20 0 CGADHM CC1(C)CCCN(Cc2ccc(F)cc2C(=O)[O-])C1 ZINC000070260949 541891842 /nfs/dbraw/zinc/89/18/42/541891842.db2.gz KEHMTYFSPDNRQH-UHFFFAOYSA-N -1 3 265.328 3.146 20 0 CGADHM CC(C)[C@H]1CCCN(C(=O)Cc2ccc([O-])c(F)c2)CC1 ZINC000449873971 373953733 /nfs/dbraw/zinc/95/37/33/373953733.db2.gz VTHKSKJDPJWWIW-AWEZNQCLSA-N -1 3 293.382 3.359 20 0 CGADHM CCC[C@@H](C)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000179857928 373927148 /nfs/dbraw/zinc/92/71/48/373927148.db2.gz PEZVPCXHRSOIPT-OCCSQVGLSA-N -1 3 261.365 3.433 20 0 CGADHM O=C(NC[C@H]1CCCc2ccccc21)c1cccc([O-])c1 ZINC000181846110 374181312 /nfs/dbraw/zinc/18/13/12/374181312.db2.gz LHVHGTFFQNCYFA-OAHLLOKOSA-N -1 3 281.355 3.242 20 0 CGADHM C[C@@H](CCC(=O)[O-])NCc1cc(Cl)ccc1Cl ZINC000309784212 374197765 /nfs/dbraw/zinc/19/77/65/374197765.db2.gz MDJPKAWSSOPKCR-QMMMGPOBSA-N -1 3 276.163 3.336 20 0 CGADHM Cc1o[n-]c(=NC(=O)c2[nH]c3ccc(C)cc3c2C)c1C ZINC000452163077 374260281 /nfs/dbraw/zinc/26/02/81/374260281.db2.gz MYFBHPBZRHLHEH-UHFFFAOYSA-N -1 3 283.331 3.064 20 0 CGADHM C[C@H](c1cc(F)ccc1F)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000312629338 374286898 /nfs/dbraw/zinc/28/68/98/374286898.db2.gz YOXSMKSRAOECQP-FOGDFJRCSA-N -1 3 283.318 3.068 20 0 CGADHM CCC(=O)c1cccc(NC(=O)c2cccc([O-])c2)c1 ZINC000182847310 374334433 /nfs/dbraw/zinc/33/44/33/374334433.db2.gz HONFKEKEOUTJIX-UHFFFAOYSA-N -1 3 269.300 3.237 20 0 CGADHM Cc1ccc([O-])c(C(=O)N(C)CCc2ccccc2C)c1 ZINC000452335796 374341647 /nfs/dbraw/zinc/34/16/47/374341647.db2.gz NBWHUBQOCAKJRU-UHFFFAOYSA-N -1 3 283.371 3.324 20 0 CGADHM Cc1c(Cl)cccc1NC(=O)c1cccc2nn[n-]c21 ZINC000182697007 374314235 /nfs/dbraw/zinc/31/42/35/374314235.db2.gz DEJRGVBRZZWRES-UHFFFAOYSA-N -1 3 286.722 3.172 20 0 CGADHM Cc1c(Cl)cccc1NC(=O)c1cccc2[n-]nnc21 ZINC000182697007 374314243 /nfs/dbraw/zinc/31/42/43/374314243.db2.gz DEJRGVBRZZWRES-UHFFFAOYSA-N -1 3 286.722 3.172 20 0 CGADHM Cc1c(Cl)cccc1NC(=O)c1cccc2n[n-]nc21 ZINC000182697007 374314251 /nfs/dbraw/zinc/31/42/51/374314251.db2.gz DEJRGVBRZZWRES-UHFFFAOYSA-N -1 3 286.722 3.172 20 0 CGADHM Cc1cccc([O-])c1NC(=O)Cc1ccc(F)c(F)c1 ZINC000183081637 374370426 /nfs/dbraw/zinc/37/04/26/374370426.db2.gz XPGTZPCOXGIDPJ-UHFFFAOYSA-N -1 3 277.270 3.160 20 0 CGADHM CCc1cccc(C(=O)N[C@H](C)c2c(C)noc2C)c1[O-] ZINC000081781344 541927830 /nfs/dbraw/zinc/92/78/30/541927830.db2.gz VUKGIVFQVSLAOT-SECBINFHSA-N -1 3 288.347 3.050 20 0 CGADHM O=C(Nc1ccc(Cl)cc1F)c1cccc2nn[n-]c21 ZINC000183299763 374399338 /nfs/dbraw/zinc/39/93/38/374399338.db2.gz YBHNEEHWOVMLFC-UHFFFAOYSA-N -1 3 290.685 3.003 20 0 CGADHM O=C(Nc1ccc(Cl)cc1F)c1cccc2[n-]nnc21 ZINC000183299763 374399347 /nfs/dbraw/zinc/39/93/47/374399347.db2.gz YBHNEEHWOVMLFC-UHFFFAOYSA-N -1 3 290.685 3.003 20 0 CGADHM O=C(Nc1ccc(Cl)cc1F)c1cccc2n[n-]nc21 ZINC000183299763 374399349 /nfs/dbraw/zinc/39/93/49/374399349.db2.gz YBHNEEHWOVMLFC-UHFFFAOYSA-N -1 3 290.685 3.003 20 0 CGADHM CCOc1ccc(CC(=O)Nc2ccc([O-])cc2F)cc1 ZINC000183238461 374390649 /nfs/dbraw/zinc/39/06/49/374390649.db2.gz VWFSPMRKPCFJOI-UHFFFAOYSA-N -1 3 289.306 3.111 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CC(Cc3ccccc3C)C2)c1 ZINC000085652430 541937816 /nfs/dbraw/zinc/93/78/16/541937816.db2.gz UMURIUTZPCXYMK-UHFFFAOYSA-N -1 3 295.382 3.324 20 0 CGADHM CC[C@@H](C(=O)[O-])N(C)Cc1cc(Cl)ccc1Cl ZINC000087761531 541944559 /nfs/dbraw/zinc/94/45/59/541944559.db2.gz RCHYTIWWRVGKNO-NSHDSACASA-N -1 3 276.163 3.288 20 0 CGADHM CC[C@@H]1CC[C@H](C(=O)Nc2cc(Cl)cc(C)c2[O-])O1 ZINC000330497121 374474225 /nfs/dbraw/zinc/47/42/25/374474225.db2.gz XVUPBORBQLSKKP-ZYHUDNBSSA-N -1 3 283.755 3.250 20 0 CGADHM CCc1noc(C)c1NC(=O)c1cc([O-])ccc1Cl ZINC000334168399 206131657 /nfs/dbraw/zinc/13/16/57/206131657.db2.gz AZVMHQLUCQMLHR-UHFFFAOYSA-N -1 3 280.711 3.157 20 0 CGADHM CC1(C)CC[C@H](CNC(=O)c2cc([O-])c3ccccc3c2)O1 ZINC000332177024 374558279 /nfs/dbraw/zinc/55/82/79/374558279.db2.gz ZUMDYLGDDDDIMN-CQSZACIVSA-N -1 3 299.370 3.233 20 0 CGADHM Cc1cc(C(=O)Nc2ccc(Cl)cc2[O-])co1 ZINC000334190183 206168862 /nfs/dbraw/zinc/16/88/62/206168862.db2.gz HOEFALXAYXNPAK-UHFFFAOYSA-N -1 3 251.669 3.199 20 0 CGADHM CCc1ccc([O-])c(-c2nc(-c3ccc(OC)nc3)no2)c1 ZINC000184856527 374567075 /nfs/dbraw/zinc/56/70/75/374567075.db2.gz WPLIZQCTGCPBKZ-UHFFFAOYSA-N -1 3 297.314 3.075 20 0 CGADHM Cc1cccc(-c2nc(-c3ccc4c(c3)CCO4)no2)c1[O-] ZINC000184881023 374568103 /nfs/dbraw/zinc/56/81/03/374568103.db2.gz DTVMLVHLCHBXTP-UHFFFAOYSA-N -1 3 294.310 3.353 20 0 CGADHM Cc1cccc(C(=O)N[C@H]2CCO[C@H](CC(C)C)C2)c1[O-] ZINC000334087267 374647513 /nfs/dbraw/zinc/64/75/13/374647513.db2.gz MUBPMHPCJHFIDU-UONOGXRCSA-N -1 3 291.391 3.024 20 0 CGADHM CS[C@H](C)CC(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000186262688 374823353 /nfs/dbraw/zinc/82/33/53/374823353.db2.gz UQGYABWSMRJEHZ-WDEREUQCSA-N -1 3 279.405 3.374 20 0 CGADHM C[C@H]1CCN(C(=O)C[C@H]2CCCCO2)c2c([O-])cccc21 ZINC000186261656 374823487 /nfs/dbraw/zinc/82/34/87/374823487.db2.gz BFZNSZRAPJRHCJ-QWHCGFSZSA-N -1 3 289.375 3.192 20 0 CGADHM Cc1nscc1C(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000186309802 374829947 /nfs/dbraw/zinc/82/99/47/374829947.db2.gz VQDDLCBJQXWOET-SECBINFHSA-N -1 3 288.372 3.311 20 0 CGADHM O=C(Nc1ccc([O-])cc1F)[C@H]1CC12CCSCC2 ZINC000334577464 374877344 /nfs/dbraw/zinc/87/73/44/374877344.db2.gz NDSLTAULLXAKSY-SNVBAGLBSA-N -1 3 281.352 3.003 20 0 CGADHM C[C@H]1C(=O)CC[C@@H](C(=O)Nc2cccc([O-])c2F)C1(C)C ZINC000334583401 374883325 /nfs/dbraw/zinc/88/33/25/374883325.db2.gz RLRFWHVTAOHLSL-UWVGGRQHSA-N -1 3 293.338 3.111 20 0 CGADHM CC(C)(C)[C@@H]1CCN(C(=O)c2c[n-]c3ccccc3c2=O)C1 ZINC000334556231 374853664 /nfs/dbraw/zinc/85/36/64/374853664.db2.gz OLDMUMAZDBZOAZ-GFCCVEGCSA-N -1 3 298.386 3.036 20 0 CGADHM Cc1cc(NC(=O)c2cn[n-]c2-c2ccsc2)ccn1 ZINC000186853463 374929693 /nfs/dbraw/zinc/92/96/93/374929693.db2.gz DFXWWZSAMQJMSA-UHFFFAOYSA-N -1 3 284.344 3.094 20 0 CGADHM Cc1cc(NC(=O)c2c[n-]nc2-c2ccsc2)ccn1 ZINC000186853463 374929698 /nfs/dbraw/zinc/92/96/98/374929698.db2.gz DFXWWZSAMQJMSA-UHFFFAOYSA-N -1 3 284.344 3.094 20 0 CGADHM Cc1ccc(C(=O)Nc2ccccc2[O-])c(C2CC2)n1 ZINC000334697464 374984969 /nfs/dbraw/zinc/98/49/69/374984969.db2.gz CMLMPYQRJGZPFH-UHFFFAOYSA-N -1 3 268.316 3.225 20 0 CGADHM COC(=O)c1coc(C(=O)[N-]c2ccsc2Cl)c1 ZINC000187819981 375102226 /nfs/dbraw/zinc/10/22/26/375102226.db2.gz FHRSDWIDLUGOFV-UHFFFAOYSA-N -1 3 285.708 3.033 20 0 CGADHM C[C@@H]1C[C@@H](C(=O)[O-])CN(Cc2cc(F)ccc2Cl)C1 ZINC000335152980 375179973 /nfs/dbraw/zinc/17/99/73/375179973.db2.gz QNXFHGXLHRWWQW-MWLCHTKSSA-N -1 3 285.746 3.022 20 0 CGADHM CC(=O)[C@@H]1C[C@H](C(=O)Nc2cc(Cl)ccc2[O-])C1(C)C ZINC000188841549 375278608 /nfs/dbraw/zinc/27/86/08/375278608.db2.gz HJGSDOAMEFKLGN-WDEREUQCSA-N -1 3 295.766 3.235 20 0 CGADHM CS[C@H]1CCN(C(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000335433213 375289141 /nfs/dbraw/zinc/28/91/41/375289141.db2.gz BGFXVJHZPVMOPF-ZDUSSCGKSA-N -1 3 287.384 3.123 20 0 CGADHM O=C(c1ccccc1[O-])N1CC2(CCC2)[C@@H]1c1ccco1 ZINC000335445291 375299266 /nfs/dbraw/zinc/29/92/66/375299266.db2.gz NFJVXRFVTCTJDL-HNNXBMFYSA-N -1 3 283.327 3.353 20 0 CGADHM CCc1onc(C)c1NC(=O)c1ccc(CC)cc1[O-] ZINC000188712272 375259371 /nfs/dbraw/zinc/25/93/71/375259371.db2.gz ALQIESPQSPCURG-UHFFFAOYSA-N -1 3 274.320 3.066 20 0 CGADHM C[C@H]1CCN(C(=O)c2csc(=O)[n-]2)CC12CCCCC2 ZINC000335689439 375347994 /nfs/dbraw/zinc/34/79/94/375347994.db2.gz WGEHYOVDXGHULS-NSHDSACASA-N -1 3 294.420 3.281 20 0 CGADHM COc1cccc(Cl)c1C[N-]c1nnc(C(F)F)o1 ZINC000189285671 375355295 /nfs/dbraw/zinc/35/52/95/375355295.db2.gz MDEPFGBFUAJBQJ-UHFFFAOYSA-N -1 3 289.669 3.281 20 0 CGADHM C[C@H]1N(Cc2c(F)ccc([O-])c2F)CCC12CCOCC2 ZINC000335944164 375559989 /nfs/dbraw/zinc/55/99/89/375559989.db2.gz NTYQBZFXLYADLD-LLVKDONJSA-N -1 3 297.345 3.061 20 0 CGADHM CCc1ccc(C(=O)N2[C@H](C)CCC[C@@H]2C)c([O-])c1 ZINC000191071969 375571899 /nfs/dbraw/zinc/57/18/99/375571899.db2.gz RVBKZXFHUMEWPX-TXEJJXNPSA-N -1 3 261.365 3.358 20 0 CGADHM Cc1sccc1CC(=O)Nc1c(C)cccc1[O-] ZINC000336052723 375648945 /nfs/dbraw/zinc/64/89/45/375648945.db2.gz ZBRCAPQNYVKNNP-UHFFFAOYSA-N -1 3 261.346 3.252 20 0 CGADHM Cc1onc(-c2ccccc2)c1C(=O)Nc1ncccc1[O-] ZINC000191594247 375642328 /nfs/dbraw/zinc/64/23/28/375642328.db2.gz HJZRBYKQZHGSLP-UHFFFAOYSA-N -1 3 295.298 3.003 20 0 CGADHM CCc1cc(C(=O)N2CCC[C@H]2c2cccnc2)ccc1[O-] ZINC000336083996 375673733 /nfs/dbraw/zinc/67/37/33/375673733.db2.gz PKCZGHXZPXTMMO-INIZCTEOSA-N -1 3 296.370 3.327 20 0 CGADHM CCO[N-]C(=O)Nc1cnn(-c2ccccc2)c1C(C)C ZINC000192341868 375734873 /nfs/dbraw/zinc/73/48/73/375734873.db2.gz ZZUKRVQWQQAKMH-UHFFFAOYSA-N -1 3 288.351 3.069 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)N[C@H](C)c2ccc(F)cc2F)n1 ZINC000192722336 375781488 /nfs/dbraw/zinc/78/14/88/375781488.db2.gz CKRIKBLSRQETAX-NXEZZACHSA-N -1 3 293.317 3.181 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N2CC[C@H](c3ccccc3)C2)n1 ZINC000192559081 375763786 /nfs/dbraw/zinc/76/37/86/375763786.db2.gz GVRUHZXGVBYNKL-ZFWWWQNUSA-N -1 3 283.375 3.041 20 0 CGADHM Cc1cc(C(=O)Nc2nc(C)ccc2[O-])c(C)n1C(C)C ZINC000345940258 217755084 /nfs/dbraw/zinc/75/50/84/217755084.db2.gz ZXKBNEGLMBCFBI-UHFFFAOYSA-N -1 3 287.363 3.347 20 0 CGADHM Cn1ccc(C(=O)Nc2cccc([O-])c2F)c1C1CCC1 ZINC000336548394 375824541 /nfs/dbraw/zinc/82/45/41/375824541.db2.gz HLECDSVPVLHBJM-UHFFFAOYSA-N -1 3 288.322 3.390 20 0 CGADHM Cc1cc([C@H](C)NC(=O)c2ccc(O)cc2[O-])c(C)s1 ZINC000193247167 375847694 /nfs/dbraw/zinc/84/76/94/375847694.db2.gz QNRUWGQJZAJYED-VIFPVBQESA-N -1 3 291.372 3.267 20 0 CGADHM CCc1ccc([O-])c(C(=O)NCc2cc(F)ccc2F)c1 ZINC000520565454 375864600 /nfs/dbraw/zinc/86/46/00/375864600.db2.gz PEZHOTPISLAMQW-UHFFFAOYSA-N -1 3 291.297 3.163 20 0 CGADHM Cc1ccc(NC(=O)c2csc(C3CC3)n2)c([O-])c1 ZINC000194947103 376064093 /nfs/dbraw/zinc/06/40/93/376064093.db2.gz SUZBZBGDUWJINM-UHFFFAOYSA-N -1 3 274.345 3.287 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2cccc3c2OCCC3)c1 ZINC000536734429 376128350 /nfs/dbraw/zinc/12/83/50/376128350.db2.gz ULHNUUUELFWZFI-UHFFFAOYSA-N -1 3 283.327 3.278 20 0 CGADHM CC[C@H](NC(=O)c1ccccc1[O-])c1ccc(OC)cc1 ZINC000216622383 376166067 /nfs/dbraw/zinc/16/60/67/376166067.db2.gz YNMOUOHZRYAKON-HNNXBMFYSA-N -1 3 285.343 3.282 20 0 CGADHM CC[C@H](C)n1nc(C(=O)Nc2cccc([O-])c2F)cc1C ZINC000537594956 376178483 /nfs/dbraw/zinc/17/84/83/376178483.db2.gz BBKGINVOVZRLFN-VIFPVBQESA-N -1 3 291.326 3.260 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2ccnn2CCC(C)C)c1 ZINC000536694065 376123766 /nfs/dbraw/zinc/12/37/66/376123766.db2.gz RIDNRABKAMHNCT-UHFFFAOYSA-N -1 3 287.363 3.196 20 0 CGADHM COc1cccc([C@@H](C)NCc2cc([O-])cc(F)c2)c1 ZINC000223113580 376245722 /nfs/dbraw/zinc/24/57/22/376245722.db2.gz WPVWMSRQDCCBOL-LLVKDONJSA-N -1 3 275.323 3.391 20 0 CGADHM CC1(CC(=O)N=c2cc(-c3ccncc3)[n-][nH]2)CCCCC1 ZINC000338134726 376265308 /nfs/dbraw/zinc/26/53/08/376265308.db2.gz YYMZQGFDJGMMAP-UHFFFAOYSA-N -1 3 298.390 3.193 20 0 CGADHM CCc1ccc(S(=O)(=O)[N-]c2cccc(C)c2F)cc1 ZINC000539399254 376307773 /nfs/dbraw/zinc/30/77/73/376307773.db2.gz KHHUWHBNTCGTPR-UHFFFAOYSA-N -1 3 293.363 3.497 20 0 CGADHM CCc1cccc(C(=O)N(C)[C@H](C)C2(C)CC2)c1[O-] ZINC000539881053 376345267 /nfs/dbraw/zinc/34/52/67/376345267.db2.gz MFEKQDNDHMYFLP-LLVKDONJSA-N -1 3 261.365 3.215 20 0 CGADHM CCc1cccc(C(=O)Nc2c(C)[nH]nc2C(F)F)c1[O-] ZINC000540971238 376410358 /nfs/dbraw/zinc/41/03/58/376410358.db2.gz FGSLRAZPJBAGKA-UHFFFAOYSA-N -1 3 295.289 3.176 20 0 CGADHM CC[C@@](C)(OC)c1noc(-c2ccc(C)cc2[O-])n1 ZINC000227832850 376415328 /nfs/dbraw/zinc/41/53/28/376415328.db2.gz FEACPRZFJOFHNV-CQSZACIVSA-N -1 3 262.309 3.022 20 0 CGADHM COc1cc(F)ccc1NC(=O)c1ccc([O-])c(C)c1 ZINC000226715950 376369060 /nfs/dbraw/zinc/36/90/60/376369060.db2.gz DYHDGDJVFSWQPP-UHFFFAOYSA-N -1 3 275.279 3.101 20 0 CGADHM COCc1ccccc1NC(=O)c1ccc([O-])c(C)c1 ZINC000226954895 376377931 /nfs/dbraw/zinc/37/79/31/376377931.db2.gz FGYOWODEUYBGGS-UHFFFAOYSA-N -1 3 271.316 3.099 20 0 CGADHM COc1ccc(C)cc1C[S@](=O)c1cccc([O-])c1 ZINC000541759363 376478363 /nfs/dbraw/zinc/47/83/63/376478363.db2.gz IJRFVJZJWOSALT-IBGZPJMESA-N -1 3 276.357 3.017 20 0 CGADHM C[C@@H]1CC[C@@H](CNC(=O)c2cc([O-])ccc2Cl)C1 ZINC000230429028 376518828 /nfs/dbraw/zinc/51/88/28/376518828.db2.gz VNADGRIBQVQBTB-NXEZZACHSA-N -1 3 267.756 3.212 20 0 CGADHM CC1(C)CCC[C@H]1NC(=O)c1cc([O-])ccc1Cl ZINC000232767829 376587228 /nfs/dbraw/zinc/58/72/28/376587228.db2.gz YXPLCAYKUIHFFP-GFCCVEGCSA-N -1 3 267.756 3.354 20 0 CGADHM CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2ccc(F)cc2F)C1 ZINC000135026252 542085406 /nfs/dbraw/zinc/08/54/06/542085406.db2.gz HTMYIDSHRVRAGU-LBPRGKRZSA-N -1 3 297.345 3.288 20 0 CGADHM O=C([O-])c1cccc(CNCc2cccc(Cl)c2)c1 ZINC000236486268 376664374 /nfs/dbraw/zinc/66/43/74/376664374.db2.gz OANOKLCMVJIHQW-UHFFFAOYSA-N -1 3 275.735 3.328 20 0 CGADHM O=C(Nc1ccc(F)cc1)c1cc([O-])ccc1Cl ZINC000236558214 376665880 /nfs/dbraw/zinc/66/58/80/376665880.db2.gz BDGCJGFBNVTMDE-UHFFFAOYSA-N -1 3 265.671 3.437 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2c[nH]c(-c3ccccc3)n2)n1 ZINC000339115665 376690333 /nfs/dbraw/zinc/69/03/33/376690333.db2.gz GJKXYAKUBQXDPA-FPLPWBNLSA-N -1 3 278.315 3.051 20 0 CGADHM COc1ccc(NC(=O)c2ccc(SC)cc2)c([O-])c1 ZINC000135406337 542088511 /nfs/dbraw/zinc/08/85/11/542088511.db2.gz URAHLMAMDOILFO-UHFFFAOYSA-N -1 3 289.356 3.375 20 0 CGADHM Cc1noc(C)c1[C@@H](C)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000153600416 542112903 /nfs/dbraw/zinc/11/29/03/542112903.db2.gz DOBHXAARDSCODK-SSDOTTSWSA-N -1 3 294.738 3.393 20 0 CGADHM CN(C)c1ccc(-c2nc(-c3ccc([O-])cc3)no2)cc1F ZINC000557942846 376966507 /nfs/dbraw/zinc/96/65/07/376966507.db2.gz JDSQDEBQRFFALR-UHFFFAOYSA-N -1 3 299.305 3.314 20 0 CGADHM O=C(c1cccc([O-])c1)N1CCCC12CCCCC2 ZINC000367860126 296253123 /nfs/dbraw/zinc/25/31/23/296253123.db2.gz YHVFRDWRSXTIRA-UHFFFAOYSA-N -1 3 259.349 3.331 20 0 CGADHM CCC1(C(=O)Nc2cc(Cl)cc(C)c2[O-])CC1 ZINC000340326918 377001677 /nfs/dbraw/zinc/00/16/77/377001677.db2.gz MKYKOXWPQVWHEN-UHFFFAOYSA-N -1 3 253.729 3.483 20 0 CGADHM CCc1cc(=O)[n-]c(CN2C[C@H](c3ccccc3)C[C@H]2C)n1 ZINC000246642564 377065637 /nfs/dbraw/zinc/06/56/37/377065637.db2.gz OXEIRTFTENEKQP-UKRRQHHQSA-N -1 3 297.402 3.123 20 0 CGADHM Cc1ccc2[nH]c(SCc3ncccc3[O-])nc2c1 ZINC000559630222 377093418 /nfs/dbraw/zinc/09/34/18/377093418.db2.gz LGYDQMUJIVHIFE-UHFFFAOYSA-N -1 3 271.345 3.264 20 0 CGADHM Cc1ccc2nc(SCc3ncccc3[O-])[nH]c2c1 ZINC000559630222 377093425 /nfs/dbraw/zinc/09/34/25/377093425.db2.gz LGYDQMUJIVHIFE-UHFFFAOYSA-N -1 3 271.345 3.264 20 0 CGADHM Cc1cccc([O-])c1NC(=O)[C@H]1CCc2cccc(O)c21 ZINC000560351844 377142804 /nfs/dbraw/zinc/14/28/04/377142804.db2.gz GUESAGHVHRKGND-LBPRGKRZSA-N -1 3 283.327 3.075 20 0 CGADHM Cc1ccc(CCCC(=O)N=c2cc3ccccn3[n-]2)s1 ZINC000561153408 377210481 /nfs/dbraw/zinc/21/04/81/377210481.db2.gz KUNSXKXUIWYLQB-UHFFFAOYSA-N -1 3 299.399 3.088 20 0 CGADHM Cc1ccc(CN[C@]2(C(=O)[O-])CCc3c2cccc3F)cc1 ZINC000340684691 377215456 /nfs/dbraw/zinc/21/54/56/377215456.db2.gz TXISINGBPLXTSE-GOSISDBHSA-N -1 3 299.345 3.150 20 0 CGADHM COc1cccc(C(=O)N2C[C@H](C)[C@@H]3CCCC[C@H]32)c1[O-] ZINC000248385123 377300642 /nfs/dbraw/zinc/30/06/42/377300642.db2.gz HGZGAUOKSDRVDV-SGMGOOAPSA-N -1 3 289.375 3.052 20 0 CGADHM Cc1cccc(C(=O)N2C[C@H](C)[C@H]3CCCC[C@H]32)c1[O-] ZINC000248390018 377303818 /nfs/dbraw/zinc/30/38/18/377303818.db2.gz TTYWJQOIRHOZGI-GZBFAFLISA-N -1 3 273.376 3.351 20 0 CGADHM CC(C)C[C@H](C(=O)[O-])N(C)Cc1cc(Cl)ccc1F ZINC000563282699 377434362 /nfs/dbraw/zinc/43/43/62/377434362.db2.gz KWYSEBWPXITVCN-CYBMUJFWSA-N -1 3 287.762 3.410 20 0 CGADHM CC[C@@H](c1ccc(Cl)cc1Cl)N(C)CC(=O)[O-] ZINC000563284724 377437837 /nfs/dbraw/zinc/43/78/37/377437837.db2.gz VKZACOPXEOLEKO-NSHDSACASA-N -1 3 276.163 3.461 20 0 CGADHM Cc1ccc([O-])c(C(=O)N(C)[C@@H](C)Cc2ccc(O)cc2)c1 ZINC000092760483 249034131 /nfs/dbraw/zinc/03/41/31/249034131.db2.gz XEMPBGJMCBTUJR-ZDUSSCGKSA-N -1 3 299.370 3.109 20 0 CGADHM COc1ccc(F)cc1NC(=O)c1cccc(C)c1[O-] ZINC000093548488 249037552 /nfs/dbraw/zinc/03/75/52/249037552.db2.gz APRNMSLJCVGEHH-UHFFFAOYSA-N -1 3 275.279 3.101 20 0 CGADHM CCc1ccc(C(=O)Nc2ccccc2OC)c([O-])c1 ZINC000188410041 249057741 /nfs/dbraw/zinc/05/77/41/249057741.db2.gz BFRYJQXFKZTUEY-UHFFFAOYSA-N -1 3 271.316 3.216 20 0 CGADHM C[C@H]1CC[C@@H](NCc2cccc([O-])c2Br)C1 ZINC000315225330 249097992 /nfs/dbraw/zinc/09/79/92/249097992.db2.gz IUQCXOBBNKBUGF-GXSJLCMTSA-N -1 3 284.197 3.433 20 0 CGADHM [O-]c1cccc(CNCC2CCCC2)c1Br ZINC000315009092 249098488 /nfs/dbraw/zinc/09/84/88/249098488.db2.gz JJEYUDYOEVSHNY-UHFFFAOYSA-N -1 3 284.197 3.435 20 0 CGADHM O=C(c1ccccc1[O-])N(CCc1ccc(F)cc1)C1CC1 ZINC000265244875 190169147 /nfs/dbraw/zinc/16/91/47/190169147.db2.gz HSWIKSREPVEGIJ-UHFFFAOYSA-N -1 3 299.345 3.379 20 0 CGADHM CCOc1cc(CN2CC[C@H]2C2CC2)cc(Cl)c1[O-] ZINC000459572013 249157409 /nfs/dbraw/zinc/15/74/09/249157409.db2.gz GYXSQRBYFULOJB-ZDUSSCGKSA-N -1 3 281.783 3.429 20 0 CGADHM C[C@H]1C[C@H]1c1noc(-c2ccc3c(c2[O-])CCCC3)n1 ZINC000573737389 377568912 /nfs/dbraw/zinc/56/89/12/377568912.db2.gz NKIVSEBGVXPZDF-TVQRCGJNSA-N -1 3 270.332 3.444 20 0 CGADHM Cc1cc(C)cc([C@@H](C)NCc2ncccc2[O-])c1 ZINC000514972320 249196834 /nfs/dbraw/zinc/19/68/34/249196834.db2.gz LZGXPNLUVCIBQG-CYBMUJFWSA-N -1 3 256.349 3.255 20 0 CGADHM CCOC(=O)c1[n-]c(C)nc1NC(=O)CCCCC(C)C ZINC000515373272 249210165 /nfs/dbraw/zinc/21/01/65/249210165.db2.gz AJLGYCQBCGFVNS-UHFFFAOYSA-N -1 3 295.383 3.050 20 0 CGADHM CCOC(=O)c1nc(C)[n-]c1NC(=O)CCCCC(C)C ZINC000515373272 249210169 /nfs/dbraw/zinc/21/01/69/249210169.db2.gz AJLGYCQBCGFVNS-UHFFFAOYSA-N -1 3 295.383 3.050 20 0 CGADHM CCC[C@@H](CC)S(=O)(=O)[N-]c1cc(F)c(F)cc1F ZINC000574141478 377625642 /nfs/dbraw/zinc/62/56/42/377625642.db2.gz AWTJSJGSGNUCGU-MRVPVSSYSA-N -1 3 295.326 3.424 20 0 CGADHM Cc1ccccc1C[C@H](C)N(C)Cc1ccoc1C(=O)[O-] ZINC000574815946 377712966 /nfs/dbraw/zinc/71/29/66/377712966.db2.gz CMPOVIYYRSFUTG-ZDUSSCGKSA-N -1 3 287.359 3.349 20 0 CGADHM O=C(NCc1ccc([O-])c(F)c1)c1cnc2ccccc2c1 ZINC000342678143 377729316 /nfs/dbraw/zinc/72/93/16/377729316.db2.gz RVYKJUYVPSWIDO-UHFFFAOYSA-N -1 3 296.301 3.010 20 0 CGADHM CCC(CC)(CNCc1cc(F)c(F)cc1F)C(=O)[O-] ZINC000263089567 377918040 /nfs/dbraw/zinc/91/80/40/377918040.db2.gz UAXBJIBKKYGCFH-UHFFFAOYSA-N -1 3 289.297 3.085 20 0 CGADHM C[C@@H]1CC[C@H](C(=O)[O-])CN1C/C=C/c1ccc(F)c(F)c1 ZINC000263364774 377929606 /nfs/dbraw/zinc/92/96/06/377929606.db2.gz SVMWICXILSTSNH-KTTDLOKESA-N -1 3 295.329 3.163 20 0 CGADHM C[C@@H]1CC[C@@H](C(=O)[O-])CN1Cc1ccc(Cl)cc1 ZINC000263452289 377939517 /nfs/dbraw/zinc/93/95/17/377939517.db2.gz AFSAVMPHNOEOIB-ZYHUDNBSSA-N -1 3 267.756 3.025 20 0 CGADHM CCC[C@H](CC)S(=O)(=O)[N-]c1cccc2c1OCCC2 ZINC000577876358 378019531 /nfs/dbraw/zinc/01/95/31/378019531.db2.gz VHFYWZCERJNWEF-ZDUSSCGKSA-N -1 3 297.420 3.332 20 0 CGADHM Cc1ccccc1[C@H]1CN(Cc2ncccc2[O-])[C@H](C)CO1 ZINC000575906458 377999293 /nfs/dbraw/zinc/99/92/93/377999293.db2.gz AXYWLDDWJCFHDM-RDTXWAMCSA-N -1 3 298.386 3.058 20 0 CGADHM Cc1nc(CNC[C@H]2CCCC(C)(C)C2)sc1C(=O)[O-] ZINC000578199232 378045417 /nfs/dbraw/zinc/04/54/17/378045417.db2.gz CSAROCIJGFCEBD-NSHDSACASA-N -1 3 296.436 3.456 20 0 CGADHM C[C@@H](CC(F)(F)F)C(=O)Nc1cccc([O-])c1F ZINC000578969920 378117030 /nfs/dbraw/zinc/11/70/30/378117030.db2.gz JWECWZNVJBSMJM-LURJTMIESA-N -1 3 265.206 3.058 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])c1ccc2c(c1)CCCC2=O ZINC000343891271 378126604 /nfs/dbraw/zinc/12/66/04/378126604.db2.gz YEEWNKZSTNHOFE-UHFFFAOYSA-N -1 3 299.301 3.303 20 0 CGADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H]3CC[C@H]3C)nc2)n1 ZINC000343807101 378097524 /nfs/dbraw/zinc/09/75/24/378097524.db2.gz KDMCJXSHNQUJNJ-MFKMUULPSA-N -1 3 284.363 3.017 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2ccc3oc(=O)[nH]c3c2)c1 ZINC000343823719 378103876 /nfs/dbraw/zinc/10/38/76/378103876.db2.gz GCUDZWGEYOFYAF-UHFFFAOYSA-N -1 3 298.298 3.054 20 0 CGADHM C[C@@H]1CCN(C/C=C\c2ccc(F)cc2F)C[C@H]1C(=O)[O-] ZINC000580074970 378222751 /nfs/dbraw/zinc/22/27/51/378222751.db2.gz PQCKTKFFIGUWRA-ZRNPCAPESA-N -1 3 295.329 3.021 20 0 CGADHM C[C@H](CC(=O)[O-])N(C)Cc1cc(Cl)cc(Cl)c1 ZINC000579376863 378155805 /nfs/dbraw/zinc/15/58/05/378155805.db2.gz HMZYTKJLCRVKIT-MRVPVSSYSA-N -1 3 276.163 3.288 20 0 CGADHM Cc1cc(-c2nc(-c3ccc4n[n-]nc4c3)no2)ccc1F ZINC000580809389 378259657 /nfs/dbraw/zinc/25/96/57/378259657.db2.gz IEFPSHFBBAEQLH-UHFFFAOYSA-N -1 3 295.277 3.122 20 0 CGADHM CCN(Cc1ccc(OC)cc1)Cc1nc(C)ccc1[O-] ZINC000271075986 378449158 /nfs/dbraw/zinc/44/91/58/378449158.db2.gz OIPFXXKQUUXSCV-UHFFFAOYSA-N -1 3 286.375 3.126 20 0 CGADHM CCSc1cccc(C(=O)Nc2nc(C)ccc2[O-])c1 ZINC000345969015 378423905 /nfs/dbraw/zinc/42/39/05/378423905.db2.gz ANEJTXMJGHIBJG-UHFFFAOYSA-N -1 3 288.372 3.460 20 0 CGADHM CC(C)c1cc(C(=O)[N-]c2ncc(F)cc2Cl)on1 ZINC000637431845 378502041 /nfs/dbraw/zinc/50/20/41/378502041.db2.gz CBALNFHAUVAPCQ-UHFFFAOYSA-N -1 3 283.690 3.238 20 0 CGADHM O=C([N-]c1ncc(F)cc1Cl)c1coc(C2CCC2)n1 ZINC000637435533 378503555 /nfs/dbraw/zinc/50/35/55/378503555.db2.gz VUEFDGXFGPXAIG-UHFFFAOYSA-N -1 3 295.701 3.382 20 0 CGADHM CCOc1nc2cc(C(=O)NC3(CC)CCC3)ccc2[n-]1 ZINC000346445134 378580818 /nfs/dbraw/zinc/58/08/18/378580818.db2.gz ZIRNBQKRWUJQSV-UHFFFAOYSA-N -1 3 287.363 3.024 20 0 CGADHM CCOc1nc2ccc(C(=O)NC3(CC)CCC3)cc2[n-]1 ZINC000346445134 378580824 /nfs/dbraw/zinc/58/08/24/378580824.db2.gz ZIRNBQKRWUJQSV-UHFFFAOYSA-N -1 3 287.363 3.024 20 0 CGADHM COCCC1(CNC(=O)c2ccc([O-])c(C)c2)CCCC1 ZINC000272637203 378681363 /nfs/dbraw/zinc/68/13/63/378681363.db2.gz LEWDDIGQSXEJNE-UHFFFAOYSA-N -1 3 291.391 3.027 20 0 CGADHM C[C@@H](OCC1CC1)C(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000186292425 542241877 /nfs/dbraw/zinc/24/18/77/542241877.db2.gz UNKSYSPITSZZQZ-NWDGAFQWSA-N -1 3 289.375 3.048 20 0 CGADHM CC(C)N(Cc1ccco1)C(=O)c1cccc([O-])c1 ZINC000272831088 378711753 /nfs/dbraw/zinc/71/17/53/378711753.db2.gz PZVLRKYAWNAIJE-UHFFFAOYSA-N -1 3 259.305 3.036 20 0 CGADHM COc1cc(C)cc(-c2nc(CCC3CC3)no2)c1[O-] ZINC000274072933 378773937 /nfs/dbraw/zinc/77/39/37/378773937.db2.gz QVTFHXZFZALPRT-UHFFFAOYSA-N -1 3 274.320 3.102 20 0 CGADHM Cc1cccc2c1[C@H](C)C[C@@H]2NCc1cnc(C)[n-]c1=O ZINC000346805221 218021461 /nfs/dbraw/zinc/02/14/61/218021461.db2.gz IAKNOXXVNOMKBC-ABAIWWIYSA-N -1 3 283.375 3.137 20 0 CGADHM COCCCCC(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000274349989 378816404 /nfs/dbraw/zinc/81/64/04/378816404.db2.gz HJPVIFXIFIXMHA-GFCCVEGCSA-N -1 3 277.364 3.049 20 0 CGADHM [O-]c1ccc(C(F)(F)F)c(-c2nc(-c3ccon3)no2)c1 ZINC000346878726 218045945 /nfs/dbraw/zinc/04/59/45/218045945.db2.gz MFBWAAKFTALYNP-UHFFFAOYSA-N -1 3 297.192 3.116 20 0 CGADHM Cc1ccc(NC(=O)[N-]c2cnns2)cc1OC(C)C ZINC000278661670 194090651 /nfs/dbraw/zinc/09/06/51/194090651.db2.gz NIQRCIRAJUEKHI-UHFFFAOYSA-N -1 3 292.364 3.278 20 0 CGADHM COc1cc(NC([O-])=NOC2CCCC2)ccc1Cl ZINC000278712232 194116870 /nfs/dbraw/zinc/11/68/70/194116870.db2.gz KSNSPLXEKVGMES-UHFFFAOYSA-N -1 3 284.743 3.344 20 0 CGADHM COc1cc(NC(=O)[N-]OC2CCCC2)ccc1Cl ZINC000278712232 194116872 /nfs/dbraw/zinc/11/68/72/194116872.db2.gz KSNSPLXEKVGMES-UHFFFAOYSA-N -1 3 284.743 3.344 20 0 CGADHM Cc1ccoc1CN[C@H](Cc1cccc(Cl)c1)C(=O)[O-] ZINC000277211895 379099775 /nfs/dbraw/zinc/09/97/75/379099775.db2.gz HFVDARCPBAYINM-CYBMUJFWSA-N -1 3 293.750 3.027 20 0 CGADHM CCCC[C@H](NCc1ccc(F)cc1Cl)C(=O)[O-] ZINC000277229461 379104260 /nfs/dbraw/zinc/10/42/60/379104260.db2.gz IITPBMLVBNOKBT-LBPRGKRZSA-N -1 3 273.735 3.212 20 0 CGADHM COc1ccc(F)cc1[C@@H](C)[N-]c1nnc(C(F)F)o1 ZINC000278754059 194139269 /nfs/dbraw/zinc/13/92/69/194139269.db2.gz SDNYMMJWDVWGCV-ZCFIWIBFSA-N -1 3 287.241 3.328 20 0 CGADHM CC[C@@H](NC(=O)NCc1ncccc1[O-])c1ccc(C)cc1 ZINC000349221092 379194439 /nfs/dbraw/zinc/19/44/39/379194439.db2.gz VDLPDNQZVPKYAP-CQSZACIVSA-N -1 3 299.374 3.046 20 0 CGADHM CC(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000277834484 379246784 /nfs/dbraw/zinc/24/67/84/379246784.db2.gz YBKAEDREPKPQBI-ZWNOBZJWSA-N -1 3 283.755 3.045 20 0 CGADHM C[C@H](N(C)C(=O)c1cc([O-])ccc1Cl)C1(C)CC1 ZINC000278322364 379348482 /nfs/dbraw/zinc/34/84/82/379348482.db2.gz ITZRTLGVEJWHOX-VIFPVBQESA-N -1 3 267.756 3.306 20 0 CGADHM CCC[C@H]([N-]C(=O)C(F)F)c1ccc(F)cc1F ZINC000278981761 194240095 /nfs/dbraw/zinc/24/00/95/194240095.db2.gz DTZUPTTZRZQVPY-JTQLQIEISA-N -1 3 263.234 3.187 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)C2CCC=CCC2)c1-c1ccccc1 ZINC000639629284 379515264 /nfs/dbraw/zinc/51/52/64/379515264.db2.gz MNWUBWSNPOVXEW-UHFFFAOYSA-N -1 3 295.386 3.492 20 0 CGADHM CC(C)COC1CCN(Cc2csc(C(=O)[O-])c2)CC1 ZINC000570100015 322264865 /nfs/dbraw/zinc/26/48/65/322264865.db2.gz FOXJGPWNYIIZLW-UHFFFAOYSA-N -1 3 297.420 3.083 20 0 CGADHM [O-]c1ccc(-c2noc(/C=C/c3cccnc3)n2)cc1 ZINC000350567582 379562257 /nfs/dbraw/zinc/56/22/57/379562257.db2.gz HXILNUFDTGHABI-FPYGCLRLSA-N -1 3 265.272 3.008 20 0 CGADHM [O-]c1ccc(-c2noc(-c3cnc4cnccc4c3)n2)cc1 ZINC000350575554 379564204 /nfs/dbraw/zinc/56/42/04/379564204.db2.gz IOYRMIMWRHMXFO-UHFFFAOYSA-N -1 3 290.282 3.052 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)[C@]23C[C@H]2CCC3)c1-c1cccc(F)c1 ZINC000640943453 379882263 /nfs/dbraw/zinc/88/22/63/379882263.db2.gz NVGINUIRNAMDBX-SJKOYZFVSA-N -1 3 299.349 3.075 20 0 CGADHM C[C@H](CC(F)(F)F)c1nc(-c2ccc([O-])cc2)no1 ZINC000402540466 379968044 /nfs/dbraw/zinc/96/80/44/379968044.db2.gz ANKCYJXVEVDKNA-SSDOTTSWSA-N -1 3 272.226 3.498 20 0 CGADHM Cc1cc(CN(C)C[C@@H](C)C(C)(C)C)oc1C(=O)[O-] ZINC000399414215 379938990 /nfs/dbraw/zinc/93/89/90/379938990.db2.gz XHMLAYQLHMFUSK-LLVKDONJSA-N -1 3 267.369 3.400 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-]C2C[C@H](C)C[C@@H](C)C2)c(F)c1 ZINC000404877224 379984477 /nfs/dbraw/zinc/98/44/77/379984477.db2.gz KTFAVPDEXLIHPD-VXGBXAGGSA-N -1 3 299.411 3.237 20 0 CGADHM CCN(Cc1ccc(C)cc1)C(=O)c1cc(OC)ccc1[O-] ZINC000642060781 380135262 /nfs/dbraw/zinc/13/52/62/380135262.db2.gz PBZVTTCFTWTLPC-UHFFFAOYSA-N -1 3 299.370 3.372 20 0 CGADHM COc1cc(C(=O)N[C@@H]2CCCc3ccccc32)ccc1[O-] ZINC000268057685 190372995 /nfs/dbraw/zinc/37/29/95/190372995.db2.gz BNZAXJKYIDFYDN-OAHLLOKOSA-N -1 3 297.354 3.208 20 0 CGADHM O=C(Cc1ccc(-n2cccc2)cc1)Nc1ccccc1[O-] ZINC000642200379 380148866 /nfs/dbraw/zinc/14/88/66/380148866.db2.gz SZMRMGLPWZXKJM-UHFFFAOYSA-N -1 3 292.338 3.364 20 0 CGADHM COC1CCC(C)(CNCc2c(F)ccc([O-])c2F)CC1 ZINC000353258235 380192994 /nfs/dbraw/zinc/19/29/94/380192994.db2.gz LQXSFANRYAVWSN-UHFFFAOYSA-N -1 3 299.361 3.355 20 0 CGADHM CC[C@H](C)N(CC(=O)[O-])Cc1cc2cc(F)ccc2o1 ZINC000414681782 380371489 /nfs/dbraw/zinc/37/14/89/380371489.db2.gz MTTIZNYUDOZIPW-JTQLQIEISA-N -1 3 279.311 3.257 20 0 CGADHM CCc1cc(C(=O)N[C@H](C)c2ccccc2OC)ccc1[O-] ZINC000643901879 380393666 /nfs/dbraw/zinc/39/36/66/380393666.db2.gz SJSQSBBMUNSWKJ-GFCCVEGCSA-N -1 3 299.370 3.454 20 0 CGADHM Cc1ccc(C(=O)N2CCSC(C)(C)CC2)c([O-])c1C ZINC000279070170 194270379 /nfs/dbraw/zinc/27/03/79/194270379.db2.gz FDEANVKNMCAMNO-UHFFFAOYSA-N -1 3 293.432 3.367 20 0 CGADHM Cc1cc(C(=O)Nc2ccccc2-n2cccn2)ccc1[O-] ZINC000354404376 380426939 /nfs/dbraw/zinc/42/69/39/380426939.db2.gz FHLPIQPRWNPOCA-UHFFFAOYSA-N -1 3 293.326 3.139 20 0 CGADHM O=C(NCC1(C(F)(F)F)CC1)c1cc([O-])ccc1Cl ZINC000354325641 380399189 /nfs/dbraw/zinc/39/91/89/380399189.db2.gz VYNYISRRLPDFAM-UHFFFAOYSA-N -1 3 293.672 3.118 20 0 CGADHM COc1cc(CN[C@@H](C(=O)[O-])c2ccc(C)cc2)ccc1C ZINC000417526323 380633432 /nfs/dbraw/zinc/63/34/32/380633432.db2.gz BYLNOKJPLNMEOV-QGZVFWFLSA-N -1 3 299.370 3.228 20 0 CGADHM CCOc1c(Cl)cccc1CNCC[C@H](C)CC(=O)[O-] ZINC000417553945 380637063 /nfs/dbraw/zinc/63/70/63/380637063.db2.gz BUGSFZNVVUMQDY-NSHDSACASA-N -1 3 299.798 3.329 20 0 CGADHM O=C([O-])[C@@H]1CCCCCC[C@@H]1NCc1ccc(Cl)o1 ZINC000417559030 380637808 /nfs/dbraw/zinc/63/78/08/380637808.db2.gz HDQSUEDJEQLKEQ-NEPJUHHUSA-N -1 3 285.771 3.446 20 0 CGADHM CCCc1csc(CNCCC(C)(C)CCC(=O)[O-])n1 ZINC000417561882 380638234 /nfs/dbraw/zinc/63/82/34/380638234.db2.gz IQQLPFFISJYWCB-UHFFFAOYSA-N -1 3 298.452 3.466 20 0 CGADHM CC(C)(C)C[C@@H](CC(=O)[O-])NCc1ccc(Cl)o1 ZINC000417562132 380638649 /nfs/dbraw/zinc/63/86/49/380638649.db2.gz BNHXXRLOLILGFM-SECBINFHSA-N -1 3 273.760 3.302 20 0 CGADHM CCc1nc(CNC[C@@]2(CC(=O)[O-])CC[C@H](C)C2)cs1 ZINC000417564036 380640314 /nfs/dbraw/zinc/64/03/14/380640314.db2.gz KFPSNVCJNYCEPN-NHYWBVRUSA-N -1 3 296.436 3.076 20 0 CGADHM CC(C)(NCc1csc(Cl)c1Cl)C(=O)[O-] ZINC000417580689 380643211 /nfs/dbraw/zinc/64/32/11/380643211.db2.gz RLKAMRGISVUSGM-UHFFFAOYSA-N -1 3 268.165 3.008 20 0 CGADHM C[C@@H](CNCc1cc(C(F)(F)F)ccc1Cl)C(=O)[O-] ZINC000417584946 380644639 /nfs/dbraw/zinc/64/46/39/380644639.db2.gz NSBXOFAIUZQFMT-ZETCQYMHSA-N -1 3 295.688 3.169 20 0 CGADHM CO[C@@]1(C)C[C@@H](NCc2cccc([O-])c2Cl)C1(C)C ZINC000645160482 380598249 /nfs/dbraw/zinc/59/82/49/380598249.db2.gz LVJTVZUJTMVFEZ-DOMZBBRYSA-N -1 3 283.799 3.339 20 0 CGADHM CC[C@H](CCNCc1ccc(Cl)cc1F)C(=O)[O-] ZINC000417652571 380661823 /nfs/dbraw/zinc/66/18/23/380661823.db2.gz QYPMBOBIDSZWEG-SECBINFHSA-N -1 3 273.735 3.070 20 0 CGADHM Cc1ccc(-c2ccc(CN[C@H]3C=C[C@H](C(=O)[O-])C3)o2)cc1 ZINC000417618442 380654079 /nfs/dbraw/zinc/65/40/79/380654079.db2.gz JJQDAWIJKAGXPS-GJZGRUSLSA-N -1 3 297.354 3.374 20 0 CGADHM Cc1cc(F)c(CN[C@H](C)CCC(=O)[O-])c(Cl)c1 ZINC000417630673 380658422 /nfs/dbraw/zinc/65/84/22/380658422.db2.gz UUABWORXANLKLQ-SECBINFHSA-N -1 3 273.735 3.130 20 0 CGADHM CC(C)CCOC1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000357265733 381087326 /nfs/dbraw/zinc/08/73/26/381087326.db2.gz XFQLVPIIUKLWAN-UHFFFAOYSA-N -1 3 291.391 3.060 20 0 CGADHM CCn1c2ccc(C)cc2nc1NC(=O)c1cccc([O-])c1 ZINC000357500925 381183871 /nfs/dbraw/zinc/18/38/71/381183871.db2.gz NYGKWAQKPMEIQE-UHFFFAOYSA-N -1 3 295.342 3.323 20 0 CGADHM C[C@@H](c1noc(-c2cc(-c3ccco3)[n-]n2)n1)C1CC1 ZINC000357597794 381225412 /nfs/dbraw/zinc/22/54/12/381225412.db2.gz QFONBQULRXKZRO-MRVPVSSYSA-N -1 3 270.292 3.233 20 0 CGADHM C[C@@H](c1noc(-c2cc(-c3ccco3)n[n-]2)n1)C1CC1 ZINC000357597794 381225416 /nfs/dbraw/zinc/22/54/16/381225416.db2.gz QFONBQULRXKZRO-MRVPVSSYSA-N -1 3 270.292 3.233 20 0 CGADHM CC[C@@H](C(=O)[O-])N1CCC[C@@H]1c1ccc(C)s1 ZINC000358350705 381305927 /nfs/dbraw/zinc/30/59/27/381305927.db2.gz DXQVDPOZWGFPJC-WDEREUQCSA-N -1 3 253.367 3.057 20 0 CGADHM O=C([N-]c1cc(F)ccc1F)c1ocnc1C1CC1 ZINC000334816673 207124728 /nfs/dbraw/zinc/12/47/28/207124728.db2.gz SZYFMMHEDCJIED-UHFFFAOYSA-N -1 3 264.231 3.083 20 0 CGADHM O=C(CCc1ccc2ccccc2c1[O-])N1CC[C@H](F)C1 ZINC000334846783 207177965 /nfs/dbraw/zinc/17/79/65/207177965.db2.gz PAASZGOILHJUFZ-AWEZNQCLSA-N -1 3 287.334 3.048 20 0 CGADHM C[C@H]1CCN(C(=O)c2csc(=O)[n-]2)[C@H](c2ccco2)C1 ZINC000334851095 207183564 /nfs/dbraw/zinc/18/35/64/207183564.db2.gz MUWCZFJJJOWDAJ-ONGXEEELSA-N -1 3 292.360 3.055 20 0 CGADHM C[C@@H]1C[C@H](NCc2cccc([O-])c2Cl)CS1 ZINC000334855696 207193985 /nfs/dbraw/zinc/19/39/85/207193985.db2.gz ZZUZUCYIZGEDPV-SCZZXKLOSA-N -1 3 257.786 3.029 20 0 CGADHM CCc1cc(C(=O)Nc2ccnn2CC(C)C)ccc1[O-] ZINC000362745106 382113481 /nfs/dbraw/zinc/11/34/81/382113481.db2.gz ARDNPPLSCGKPRR-UHFFFAOYSA-N -1 3 287.363 3.059 20 0 CGADHM CCC[C@H](C)[C@@H]1CCCN1Cc1nc(CC)cc(=O)[n-]1 ZINC000362968391 382168883 /nfs/dbraw/zinc/16/88/83/382168883.db2.gz YSRHHRFRDBWFSI-JSGCOSHPSA-N -1 3 277.412 3.145 20 0 CGADHM O=C(NC[C@@H]1Cc2ccccc21)c1cc([O-])ccc1Cl ZINC000236607402 542315382 /nfs/dbraw/zinc/31/53/82/542315382.db2.gz PANHRRMXVRFDKB-NSHDSACASA-N -1 3 287.746 3.115 20 0 CGADHM CC(C)(CC[N-]C(=O)C(F)(F)F)c1ccccc1 ZINC000725890188 572481464 /nfs/dbraw/zinc/48/14/64/572481464.db2.gz LOBDTPCBNQQZRF-UHFFFAOYSA-N -1 3 259.271 3.033 20 0 CGADHM COc1ccccc1[C@@H](C)NC(=O)c1ccc([O-])c(C)c1 ZINC000436936830 532967554 /nfs/dbraw/zinc/96/75/54/532967554.db2.gz ZPHWANDTFRGLRG-GFCCVEGCSA-N -1 3 285.343 3.200 20 0 CGADHM Cc1noc(C)c1C(C)(C)C(=O)Nc1ccc(C)cc1[O-] ZINC000280937632 195037776 /nfs/dbraw/zinc/03/77/76/195037776.db2.gz YXJLFOWKTPTGJA-UHFFFAOYSA-N -1 3 288.347 3.222 20 0 CGADHM CC(C)[C@@H]1N(Cc2cc([O-])cc(F)c2)CC1(C)C ZINC000353745267 220296021 /nfs/dbraw/zinc/29/60/21/220296021.db2.gz IDTJXJPNUGEKTL-AWEZNQCLSA-N -1 3 251.345 3.398 20 0 CGADHM O=C(CCC1CCCCC1)[N-]OCc1cncc(F)c1 ZINC000281151407 195125334 /nfs/dbraw/zinc/12/53/34/195125334.db2.gz OLWFYMRVSFPEIJ-UHFFFAOYSA-N -1 3 280.343 3.129 20 0 CGADHM O=C([N-]c1cc(C(F)(F)F)ccn1)c1cc(C2CC2)no1 ZINC000282048296 542385042 /nfs/dbraw/zinc/38/50/42/542385042.db2.gz PRCHPOJJDIGYIY-UHFFFAOYSA-N -1 3 297.236 3.218 20 0 CGADHM CCc1noc(-c2cc3cc(Cl)sc3[n-]2)n1 ZINC000353807292 220342341 /nfs/dbraw/zinc/34/23/41/220342341.db2.gz IOFNRJVFJPRSRH-UHFFFAOYSA-N -1 3 253.714 3.495 20 0 CGADHM CCC1(CC)CCC([N-]S(=O)(=O)c2ccco2)CC1 ZINC000353826842 220351776 /nfs/dbraw/zinc/35/17/76/220351776.db2.gz MPYGXDWCEGIQGI-UHFFFAOYSA-N -1 3 285.409 3.307 20 0 CGADHM CC(C)CON=C([O-])Nc1cccc(F)c1Cl ZINC000288810383 197170649 /nfs/dbraw/zinc/17/06/49/197170649.db2.gz FXLPXYVZEUJAOX-UHFFFAOYSA-N -1 3 260.696 3.188 20 0 CGADHM CC(C)CO[N-]C(=O)Nc1cccc(F)c1Cl ZINC000288810383 197170651 /nfs/dbraw/zinc/17/06/51/197170651.db2.gz FXLPXYVZEUJAOX-UHFFFAOYSA-N -1 3 260.696 3.188 20 0 CGADHM C[C@H]([N-]C(=O)C(C)(F)F)c1cc2ccccc2o1 ZINC000288680267 197143363 /nfs/dbraw/zinc/14/33/63/197143363.db2.gz XAJSHXIRZQGXSL-QMMMGPOBSA-N -1 3 253.248 3.265 20 0 CGADHM Cc1ccc([O-])c(NC(=O)[C@@H]2CC[C@@H](C(F)(F)F)C2)n1 ZINC000334204607 542454925 /nfs/dbraw/zinc/45/49/25/542454925.db2.gz WGGQDTNDJBRZNF-RKDXNWHRSA-N -1 3 288.269 3.013 20 0 CGADHM C[C@@H]1CC(NC(=O)c2cc([O-])c3ccccc3c2)C[C@@H](C)O1 ZINC000335169155 542464864 /nfs/dbraw/zinc/46/48/64/542464864.db2.gz NAZVDCKXHCCAGI-VXGBXAGGSA-N -1 3 299.370 3.231 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)C[C@H]2CCC(=O)[C@H]2C)c1[O-] ZINC000281283167 195179968 /nfs/dbraw/zinc/17/99/68/195179968.db2.gz SCKXXMHOVHRGDU-VHSXEESVSA-N -1 3 295.766 3.298 20 0 CGADHM CCc1cc(=O)[n-]c(CN2C[C@@H](C)C[C@@H]2c2ccccc2)n1 ZINC000353207379 542555149 /nfs/dbraw/zinc/55/51/49/542555149.db2.gz UNFRYRZCCBTIHG-XJKSGUPXSA-N -1 3 297.402 3.328 20 0 CGADHM O=C(NC[C@@H]1CCCS1)c1cc([O-])c2ccccc2c1 ZINC000355033337 542564803 /nfs/dbraw/zinc/56/48/03/542564803.db2.gz DIZJSEKVZKAEIX-ZDUSSCGKSA-N -1 3 287.384 3.171 20 0 CGADHM C[C@H](C[C@@H]1CCCO1)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000353895083 542561286 /nfs/dbraw/zinc/56/12/86/542561286.db2.gz DFQGVGGXAJWHHK-DOMZBBRYSA-N -1 3 299.370 3.233 20 0 CGADHM COCCC1(C)CN(C(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000356569660 542571395 /nfs/dbraw/zinc/57/13/95/542571395.db2.gz VZNHDHBXTZWLLZ-UHFFFAOYSA-N -1 3 299.370 3.044 20 0 CGADHM COc1ccc(NC(=O)[C@@H](C)Cc2ccccc2)c([O-])c1 ZINC000356835008 542573509 /nfs/dbraw/zinc/57/35/09/542573509.db2.gz KQFRLZNCCXLHES-LBPRGKRZSA-N -1 3 285.343 3.218 20 0 CGADHM CCCc1csc([N-]C(=O)c2cc(C3CC3)no2)n1 ZINC000281628583 195314280 /nfs/dbraw/zinc/31/42/80/195314280.db2.gz HXWBCYCCTSQZDX-UHFFFAOYSA-N -1 3 277.349 3.213 20 0 CGADHM CCc1cc(=O)[n-]c(CN2CCCC[C@H]2c2ccccc2)n1 ZINC000358016099 542576522 /nfs/dbraw/zinc/57/65/22/542576522.db2.gz HHWDVQSCVIYYFA-INIZCTEOSA-N -1 3 297.402 3.472 20 0 CGADHM CO[C@H]1CCC[C@H]1CNC(=O)c1ccc(C(C)C)cc1[O-] ZINC000436624215 533244614 /nfs/dbraw/zinc/24/46/14/533244614.db2.gz AXQVUJBUHJPZFC-BBRMVZONSA-N -1 3 291.391 3.061 20 0 CGADHM COc1ccc(C(=O)N[C@@H]2CCc3cc(C)ccc32)c([O-])c1 ZINC000436673309 533340767 /nfs/dbraw/zinc/34/07/67/533340767.db2.gz DYJZIVOAHVLBID-MRXNPFEDSA-N -1 3 297.354 3.127 20 0 CGADHM COc1ccc(NC(=O)c2ccoc2C(C)C)c([O-])c1 ZINC000360274525 542582083 /nfs/dbraw/zinc/58/20/83/542582083.db2.gz LNJCSTFRVOHXNI-UHFFFAOYSA-N -1 3 275.304 3.370 20 0 CGADHM CC(C)(C)c1nnc([N-]Cc2nccn2-c2ccccc2)o1 ZINC000191527818 130248874 /nfs/dbraw/zinc/24/88/74/130248874.db2.gz IDBXOTQVTXONQR-UHFFFAOYSA-N -1 3 297.362 3.165 20 0 CGADHM Cc1ccc(C(=O)NCc2ccccc2F)c([O-])c1C ZINC000048517769 392001672 /nfs/dbraw/zinc/00/16/72/392001672.db2.gz ADQXUCZSEBTFLN-UHFFFAOYSA-N -1 3 273.307 3.078 20 0 CGADHM Cc1ccc(C(=O)Nc2nnc(C(F)F)s2)c([O-])c1C ZINC000049043849 392031316 /nfs/dbraw/zinc/03/13/16/392031316.db2.gz AWXFLAHZPJDWPQ-UHFFFAOYSA-N -1 3 299.302 3.050 20 0 CGADHM CCCCN(C(=O)c1ccc(OC)cc1[O-])[C@@H](C)CC ZINC000055487503 392099437 /nfs/dbraw/zinc/09/94/37/392099437.db2.gz ZFNLTTNIQRUVMK-LBPRGKRZSA-N -1 3 279.380 3.442 20 0 CGADHM COc1cccc(C(=O)NCC[C@H]2CCC[C@@H](C)C2)c1[O-] ZINC000070549588 392183699 /nfs/dbraw/zinc/18/36/99/392183699.db2.gz PGGRPCZFWXWGAU-CHWSQXEVSA-N -1 3 291.391 3.347 20 0 CGADHM Cc1cccnc1NC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000436956428 542659146 /nfs/dbraw/zinc/65/91/46/542659146.db2.gz MMDHHEYZUHPOLA-UHFFFAOYSA-N -1 3 282.343 3.227 20 0 CGADHM COc1ccc(NC(=O)[C@@H](C)CC(C)(C)C)c([O-])c1 ZINC000443568046 542666687 /nfs/dbraw/zinc/66/66/87/542666687.db2.gz QULDALIYDGIKAM-JTQLQIEISA-N -1 3 265.353 3.412 20 0 CGADHM COc1ccc(NC(=O)C(C)(C)c2ccccc2)c([O-])c1 ZINC000443562075 542666715 /nfs/dbraw/zinc/66/67/15/542666715.db2.gz VLHOCDZGATWFGX-UHFFFAOYSA-N -1 3 285.343 3.317 20 0 CGADHM CCc1ccccc1C(=O)Nc1ccc(OC)cc1[O-] ZINC000443568474 542667106 /nfs/dbraw/zinc/66/71/06/542667106.db2.gz RMSGMFSMQKZUJE-UHFFFAOYSA-N -1 3 271.316 3.216 20 0 CGADHM Cc1ccccc1C1(C(=O)[N-]C2=NCCS2)CCCC1 ZINC000291894056 392494948 /nfs/dbraw/zinc/49/49/48/392494948.db2.gz QVHWYVRXFAMMAF-UHFFFAOYSA-N -1 3 288.416 3.026 20 0 CGADHM CC[C@@H](C)Oc1ccc(NC([O-])=NOC(C)C)cc1 ZINC000296625107 392560830 /nfs/dbraw/zinc/56/08/30/392560830.db2.gz WUAOHTVTBGWKPT-LLVKDONJSA-N -1 3 266.341 3.325 20 0 CGADHM CC[C@@H](C)Oc1ccc(NC(=O)[N-]OC(C)C)cc1 ZINC000296625107 392560839 /nfs/dbraw/zinc/56/08/39/392560839.db2.gz WUAOHTVTBGWKPT-LLVKDONJSA-N -1 3 266.341 3.325 20 0 CGADHM c1nc([C@H]([N-]c2nc3ccccc3o2)c2ccccc2)n[nH]1 ZINC000372268995 392597059 /nfs/dbraw/zinc/59/70/59/392597059.db2.gz VMBFHHKQFCSLLE-CQSZACIVSA-N -1 3 291.314 3.147 20 0 CGADHM Cc1ccc(CN2CCC(C(=O)c3ccc([O-])cc3)CC2)o1 ZINC000372442860 392611788 /nfs/dbraw/zinc/61/17/88/392611788.db2.gz ANOPNSWWCMBXAK-UHFFFAOYSA-N -1 3 299.370 3.389 20 0 CGADHM O=C(Nc1ccc([O-])cc1)Nc1cccc2c1OCCC2=O ZINC000372706871 392628874 /nfs/dbraw/zinc/62/88/74/392628874.db2.gz ORBDVEPAPSIAOB-UHFFFAOYSA-N -1 3 298.298 3.001 20 0 CGADHM CC[C@@H](CC(F)F)C(=O)Nc1cc(F)ccc1[O-] ZINC000457668245 392726936 /nfs/dbraw/zinc/72/69/36/392726936.db2.gz LUYHNWCKGSBKCO-ZETCQYMHSA-N -1 3 261.243 3.151 20 0 CGADHM O=C([O-])CCCCNC1(c2ccccc2Cl)CC1 ZINC000647368975 392710812 /nfs/dbraw/zinc/71/08/12/392710812.db2.gz YZWCHMKLYDVVET-UHFFFAOYSA-N -1 3 267.756 3.174 20 0 CGADHM CC[C@H](C)CSCC(=O)Nc1ccccc1[O-] ZINC000180713800 392712465 /nfs/dbraw/zinc/71/24/65/392712465.db2.gz DMNNSFXKWIJKCT-JTQLQIEISA-N -1 3 253.367 3.110 20 0 CGADHM CCC(C)(C)[C@H](NCc1cccc(Cl)c1F)C(=O)[O-] ZINC000647649004 392778170 /nfs/dbraw/zinc/77/81/70/392778170.db2.gz DLENBMPRWQRBPR-GFCCVEGCSA-N -1 3 287.762 3.458 20 0 CGADHM CC(C)C[C@@H](C)CC(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000647799489 392801949 /nfs/dbraw/zinc/80/19/49/392801949.db2.gz DXJZAHPOHGEPMR-SNVBAGLBSA-N -1 3 275.352 3.279 20 0 CGADHM C[C@H](CC(=O)Nc1[nH][n-]c2cc(=O)ccc1-2)c1ccccc1 ZINC000647801986 392802823 /nfs/dbraw/zinc/80/28/23/392802823.db2.gz DYRXVOWWCAVZTF-LLVKDONJSA-N -1 3 295.342 3.401 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-]c2c(O)cccc2Cl)cc1 ZINC000647919365 392834933 /nfs/dbraw/zinc/83/49/33/392834933.db2.gz ZFDFXBWXWRASFN-UHFFFAOYSA-N -1 3 297.763 3.155 20 0 CGADHM Cc1ccc(-c2cc(C(=O)Nc3ccccc3)n[n-]2)o1 ZINC000193121514 392871897 /nfs/dbraw/zinc/87/18/97/392871897.db2.gz BDMGNXKZDBJVMN-UHFFFAOYSA-N -1 3 267.288 3.230 20 0 CGADHM Cc1ccc(-c2cc(C(=O)Nc3ccccc3)[n-]n2)o1 ZINC000193121514 392871904 /nfs/dbraw/zinc/87/19/04/392871904.db2.gz BDMGNXKZDBJVMN-UHFFFAOYSA-N -1 3 267.288 3.230 20 0 CGADHM Cc1ccc(C(=O)N2CC[C@@H](C)c3cccc([O-])c32)cc1N ZINC000648172028 392925986 /nfs/dbraw/zinc/92/59/86/392925986.db2.gz YXVJCTLNYPCIKG-LLVKDONJSA-N -1 3 296.370 3.437 20 0 CGADHM CCON=C([O-])Nc1nc2c(s1)C[C@@H](C(C)(C)C)CC2 ZINC000194578220 392930178 /nfs/dbraw/zinc/93/01/78/392930178.db2.gz AJHBWNDYCDLFOD-VIFPVBQESA-N -1 3 297.424 3.367 20 0 CGADHM CCO[N-]C(=O)Nc1nc2c(s1)C[C@@H](C(C)(C)C)CC2 ZINC000194578220 392930188 /nfs/dbraw/zinc/93/01/88/392930188.db2.gz AJHBWNDYCDLFOD-VIFPVBQESA-N -1 3 297.424 3.367 20 0 CGADHM COc1ccc([O-])c(C(=O)N[C@@H]2CCCc3ccccc32)c1 ZINC000195584153 392971136 /nfs/dbraw/zinc/97/11/36/392971136.db2.gz ZGPCPJJHOYCEBU-MRXNPFEDSA-N -1 3 297.354 3.208 20 0 CGADHM FC(F)(F)c1cccc(-c2ccc(=S)[n-]n2)c1 ZINC000236135593 393032013 /nfs/dbraw/zinc/03/20/13/393032013.db2.gz IVFIXFLBCRLZGY-UHFFFAOYSA-N -1 3 256.252 3.451 20 0 CGADHM CCc1cccc(-c2nc(-c3ncccc3C)no2)c1[O-] ZINC000546319307 393045440 /nfs/dbraw/zinc/04/54/40/393045440.db2.gz SNYVJJRDVRPVDO-UHFFFAOYSA-N -1 3 281.315 3.375 20 0 CGADHM [O-]c1cc(F)cc(CN[C@@H]2CCc3ccc(F)cc32)c1 ZINC000547435909 393115762 /nfs/dbraw/zinc/11/57/62/393115762.db2.gz MVUCFQQONOJYPK-MRXNPFEDSA-N -1 3 275.298 3.448 20 0 CGADHM CO[C@@H]1CCCN(Cc2cccc([O-])c2Cl)CC1 ZINC000646157604 393233141 /nfs/dbraw/zinc/23/31/41/393233141.db2.gz HFDSJJPRIQWFBA-GFCCVEGCSA-N -1 3 269.772 3.047 20 0 CGADHM Cc1cc(C(=O)N(C)[C@H]2CCc3ccccc32)ccc1[O-] ZINC000353899162 393235441 /nfs/dbraw/zinc/23/54/41/393235441.db2.gz HJBMXQYBPJHSJT-INIZCTEOSA-N -1 3 281.355 3.460 20 0 CGADHM CC(=O)c1cccc(NC(=O)C[C@@H](C)c2ccncc2)c1[O-] ZINC000646215614 393242542 /nfs/dbraw/zinc/24/25/42/393242542.db2.gz CZPZHGJFDIZXII-LLVKDONJSA-N -1 3 298.342 3.122 20 0 CGADHM C[C@H]1CCN(C(=O)[C@@H]2CCCS2)c2c([O-])cccc21 ZINC000274382287 393285175 /nfs/dbraw/zinc/28/51/75/393285175.db2.gz NGOLAWVXRUZQGY-GWCFXTLKSA-N -1 3 277.389 3.128 20 0 CGADHM CC(C)O[C@@H]1CCN(C(=O)c2ccc(C(C)C)cc2[O-])C1 ZINC000648945215 393295830 /nfs/dbraw/zinc/29/58/30/393295830.db2.gz FQXHDBMXLSLWAV-CQSZACIVSA-N -1 3 291.391 3.155 20 0 CGADHM C[C@H](CNC(=O)c1cc([O-])ccc1Cl)CC(F)F ZINC000648960843 393300307 /nfs/dbraw/zinc/30/03/07/393300307.db2.gz OTXOCAGDQNNRIE-ZETCQYMHSA-N -1 3 277.698 3.067 20 0 CGADHM CC1CCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)CC1 ZINC000646563033 393302755 /nfs/dbraw/zinc/30/27/55/393302755.db2.gz XLLLZWONZJVNHY-UHFFFAOYSA-N -1 3 287.281 3.283 20 0 CGADHM CCc1nccn1[C@@H](C)CC(=O)Nc1c(C)cccc1[O-] ZINC000648849605 393272515 /nfs/dbraw/zinc/27/25/15/393272515.db2.gz MGRUUCCNZQHXPN-LBPRGKRZSA-N -1 3 287.363 3.049 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)c1cccc2c1ccn2C ZINC000649232079 393380615 /nfs/dbraw/zinc/38/06/15/393380615.db2.gz RCGYTWGVSHUZKG-UHFFFAOYSA-N -1 3 296.374 3.007 20 0 CGADHM O=c1cc(CSCCC2CC2)nc(C2CC2)[n-]1 ZINC000419463363 393386137 /nfs/dbraw/zinc/38/61/37/393386137.db2.gz NAVZNAUENWSVBN-UHFFFAOYSA-N -1 3 250.367 3.093 20 0 CGADHM CC(C)(C)O[C@H]1C[C@@H](NC(=O)c2cc([O-])ccc2Cl)C1 ZINC000649099569 393344420 /nfs/dbraw/zinc/34/44/20/393344420.db2.gz APLZGRQQESQXLJ-JGZJWPJOSA-N -1 3 297.782 3.122 20 0 CGADHM O=C(N[C@@H]1CC[C@@H]2C[C@@H]2C1)c1cc([O-])ccc1C(F)(F)F ZINC000649167966 393366231 /nfs/dbraw/zinc/36/62/31/393366231.db2.gz ZFUFFSFIFYDQQZ-OPRDCNLKSA-N -1 3 299.292 3.329 20 0 CGADHM Cc1cc(C(=O)N2CCCC[C@H]2C2CCC2)ccc1[O-] ZINC000649196541 393370535 /nfs/dbraw/zinc/37/05/35/393370535.db2.gz OWFZUPGIYKIVDZ-HNNXBMFYSA-N -1 3 273.376 3.495 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)c1sccc1Cl ZINC000649228898 393376292 /nfs/dbraw/zinc/37/62/92/393376292.db2.gz FHGPSOQTQBUCJT-UHFFFAOYSA-N -1 3 283.784 3.231 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@@H]1CCCC[C@@H]1C1CC1 ZINC000649228622 393376527 /nfs/dbraw/zinc/37/65/27/393376527.db2.gz WLTKTZQNBAAZKW-ZIAGYGMSSA-N -1 3 289.423 3.418 20 0 CGADHM CCC[C@H]1CCC[C@@H]1C(=O)N=c1[nH][n-]c(C(C)C)c1C ZINC000649229048 393376540 /nfs/dbraw/zinc/37/65/40/393376540.db2.gz KPQVILZYCRWXKN-STQMWFEESA-N -1 3 277.412 3.418 20 0 CGADHM COC[C@H](C)SCc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000419422155 393376600 /nfs/dbraw/zinc/37/66/00/393376600.db2.gz QDBULGGKWZMKSE-NSHDSACASA-N -1 3 290.388 3.117 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)c1ccc(C)nc1C1CC1 ZINC000649229361 393377682 /nfs/dbraw/zinc/37/76/82/393377682.db2.gz YDJYRQHDCDBGAL-UHFFFAOYSA-N -1 3 298.390 3.097 20 0 CGADHM CCc1cc(=O)[n-]c(CSC[C@H](CC(C)C)OC)n1 ZINC000419429801 393377772 /nfs/dbraw/zinc/37/77/72/393377772.db2.gz CPLZLCYMOBZPIG-LBPRGKRZSA-N -1 3 284.425 3.039 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@@H]1CCCC1(C)C ZINC000649229938 393377728 /nfs/dbraw/zinc/37/77/28/393377728.db2.gz SREUONGSPRMTCI-NSHDSACASA-N -1 3 263.385 3.028 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@H]1CCCC(C)(C)C1 ZINC000649230594 393377866 /nfs/dbraw/zinc/37/78/66/393377866.db2.gz PHVJNKRYSRQXCQ-LBPRGKRZSA-N -1 3 277.412 3.418 20 0 CGADHM [O-]c1cc(CN2CCC=C(F)C2)cc(C(F)(F)F)c1 ZINC000356441061 393445369 /nfs/dbraw/zinc/44/53/69/393445369.db2.gz RRQWEBWIYGMPHY-UHFFFAOYSA-N -1 3 275.245 3.470 20 0 CGADHM O=C([O-])[C@@H](NCc1cccc2c1CCC2)c1cccc(F)c1 ZINC000649505289 393460314 /nfs/dbraw/zinc/46/03/14/393460314.db2.gz CUMDRZNYMVCGFR-KRWDZBQOSA-N -1 3 299.345 3.230 20 0 CGADHM CO[C@H](CSCc1cc(=O)[n-]c(C2CC2)n1)CC(C)C ZINC000419593180 393409850 /nfs/dbraw/zinc/40/98/50/393409850.db2.gz XDLYQJSDOZARBG-ZDUSSCGKSA-N -1 3 296.436 3.354 20 0 CGADHM C[C@@H](F)CCNC(=O)c1cc([O-])c2ccccc2c1 ZINC000356655287 393501263 /nfs/dbraw/zinc/50/12/63/393501263.db2.gz QNRDLNLBVICLDA-SNVBAGLBSA-N -1 3 261.296 3.023 20 0 CGADHM CC[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000488952231 393564793 /nfs/dbraw/zinc/56/47/93/393564793.db2.gz ZXFRWOJXWOFJKY-BDAKNGLRSA-N -1 3 293.791 3.192 20 0 CGADHM COc1cc(C(=O)N[C@H](C)C2CCCCC2)ccc1[O-] ZINC000443284089 393750454 /nfs/dbraw/zinc/75/04/54/393750454.db2.gz QNOZKWCOQUUOEG-LLVKDONJSA-N -1 3 277.364 3.099 20 0 CGADHM CCc1ccc(/C=C\C(=O)Nc2ccccc2[O-])o1 ZINC000492560870 393753750 /nfs/dbraw/zinc/75/37/50/393753750.db2.gz JHMVVMRMEJSHAA-KTKRTIGZSA-N -1 3 257.289 3.200 20 0 CGADHM O=C(/C=C\c1cncc([O-])c1)Nc1cccc(C(F)F)c1 ZINC000492403385 393728436 /nfs/dbraw/zinc/72/84/36/393728436.db2.gz YWYCEFVAEUKTRG-PLNGDYQASA-N -1 3 290.269 3.377 20 0 CGADHM CCCCc1nnc([N-]C(=O)c2ccc(F)s2)s1 ZINC000666968713 542830417 /nfs/dbraw/zinc/83/04/17/542830417.db2.gz WXBXTTQWRYCELC-UHFFFAOYSA-N -1 3 285.369 3.334 20 0 CGADHM CN(Cc1cccc([O-])c1Cl)[C@@H](CO)CC(C)(C)C ZINC000449581708 393913625 /nfs/dbraw/zinc/91/36/25/393913625.db2.gz BNLSSRUZVKGZCI-GFCCVEGCSA-N -1 3 285.815 3.275 20 0 CGADHM Cc1ccc([O-])c(C(=O)NCC2CCC(F)(F)CC2)c1 ZINC000501165371 393848378 /nfs/dbraw/zinc/84/83/78/393848378.db2.gz QFSNBLOIWPMZEC-UHFFFAOYSA-N -1 3 283.318 3.256 20 0 CGADHM C[C@@H]1CCC[C@H](C)CN1C(=O)Cc1ccc([O-])c(F)c1 ZINC000449936428 393946834 /nfs/dbraw/zinc/94/68/34/393946834.db2.gz DAHBCIRVSCIDDQ-NWDGAFQWSA-N -1 3 279.355 3.111 20 0 CGADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCC(CF)CC1 ZINC000452594257 394089901 /nfs/dbraw/zinc/08/99/01/394089901.db2.gz ICSDYTZINFCROO-UHFFFAOYSA-N -1 3 297.345 3.062 20 0 CGADHM Cc1ccc(C(=O)NCCC2CC(F)(F)C2)c([O-])c1C ZINC000457162239 394322825 /nfs/dbraw/zinc/32/28/25/394322825.db2.gz SKWVZSJNHCRTCN-UHFFFAOYSA-N -1 3 283.318 3.174 20 0 CGADHM CSc1ccc([O-])c(C(=O)N2CCS[C@H](C)[C@H]2C)c1 ZINC000668894209 543074942 /nfs/dbraw/zinc/07/49/42/543074942.db2.gz UZWYUCRABXBHFJ-NXEZZACHSA-N -1 3 297.445 3.080 20 0 CGADHM Cc1ccc(C(=O)N2CCS[C@@H]3CCCC[C@H]32)c([O-])c1 ZINC000175403235 292061408 /nfs/dbraw/zinc/06/14/08/292061408.db2.gz PCUGBIZGXWQGOU-UKRRQHHQSA-N -1 3 291.416 3.201 20 0 CGADHM Cc1nc(C(=O)[N-]c2cc(C3(C)CCCC3)on2)co1 ZINC000670246166 543145024 /nfs/dbraw/zinc/14/50/24/543145024.db2.gz BWCZKPKGDUMISW-UHFFFAOYSA-N -1 3 275.308 3.055 20 0 CGADHM Cc1noc(C2CC2)c1[N-]C(=O)c1occ2c1CCC2 ZINC000671793990 543191485 /nfs/dbraw/zinc/19/14/85/543191485.db2.gz IPUMCAQFXRNJSX-UHFFFAOYSA-N -1 3 272.304 3.194 20 0 CGADHM Cc1cccc(C(=O)Nc2nc(-c3ccccc3)c[nH]2)c1[O-] ZINC000673052267 543233137 /nfs/dbraw/zinc/23/31/37/543233137.db2.gz XTYLUFUEYRWMSS-UHFFFAOYSA-N -1 3 293.326 3.343 20 0 CGADHM CSc1ccc(CN2CCC[C@H](CCC(=O)[O-])C2)cc1 ZINC000043585540 397616845 /nfs/dbraw/zinc/61/68/45/397616845.db2.gz UGIZBYRQFDHWQT-CYBMUJFWSA-N -1 3 293.432 3.485 20 0 CGADHM Cc1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000047215499 397631058 /nfs/dbraw/zinc/63/10/58/397631058.db2.gz GJSNJEQTKMFPBD-UHFFFAOYSA-N -1 3 281.764 3.449 20 0 CGADHM [O-]c1coc2cc(OCc3ccc4ncccc4c3)ccc12 ZINC000387703825 397690270 /nfs/dbraw/zinc/69/02/70/397690270.db2.gz MSBSOODMABYQPI-UHFFFAOYSA-N -1 3 291.306 3.389 20 0 CGADHM C[C@@H](C(=O)[O-])C1(NCc2ccc(-c3ccccc3)o2)CC1 ZINC000649509336 397715728 /nfs/dbraw/zinc/71/57/28/397715728.db2.gz WWWHJZQVCJQRIL-LBPRGKRZSA-N -1 3 285.343 3.290 20 0 CGADHM C[C@@H]1CC[C@H](C(=O)[O-])N1Cc1ccc(-c2ccccc2)o1 ZINC000650794289 397920829 /nfs/dbraw/zinc/92/08/29/397920829.db2.gz YWLYMBSDCDJOLJ-IUODEOHRSA-N -1 3 285.343 3.384 20 0 CGADHM CCC(CC)(CC)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000675448375 543341141 /nfs/dbraw/zinc/34/11/41/543341141.db2.gz XGUOWRXTDYFFBI-UHFFFAOYSA-N -1 3 287.367 3.022 20 0 CGADHM CCC(CC)(CC)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000675448375 543341143 /nfs/dbraw/zinc/34/11/43/543341143.db2.gz XGUOWRXTDYFFBI-UHFFFAOYSA-N -1 3 287.367 3.022 20 0 CGADHM CCC[C@@H](C)[N-]S(=O)(=O)c1oc2ccc(F)cc2c1C ZINC000675451030 543341704 /nfs/dbraw/zinc/34/17/04/543341704.db2.gz WOBOLHSLFYSCNT-SECBINFHSA-N -1 3 299.367 3.347 20 0 CGADHM CC(C)c1ccc(C(=O)NC2C[C@@H](C)O[C@H](C)C2)c([O-])c1 ZINC000678155615 543489302 /nfs/dbraw/zinc/48/93/02/543489302.db2.gz YGROWIRXZWZOHF-VXGBXAGGSA-N -1 3 291.391 3.201 20 0 CGADHM CC(C)c1ccc(C(=O)N(C)[C@H](C)C2CC2)c([O-])c1 ZINC000678302808 543513000 /nfs/dbraw/zinc/51/30/00/543513000.db2.gz NZHVNMOYINJZGK-LLVKDONJSA-N -1 3 261.365 3.386 20 0 CGADHM O=C(c1ccccc1[O-])N1CCC[C@@H]1c1ccc(O)cc1 ZINC000678316215 543514481 /nfs/dbraw/zinc/51/44/81/543514481.db2.gz CVYSGFHWECXZKQ-OAHLLOKOSA-N -1 3 283.327 3.075 20 0 CGADHM Cc1cccc(C(=O)N2CCS[C@H]3CCCC[C@@H]32)c1[O-] ZINC000175402688 292419752 /nfs/dbraw/zinc/41/97/52/292419752.db2.gz SQHWOJBIBQRFCK-KBPBESRZSA-N -1 3 291.416 3.201 20 0 CGADHM C[C@H]1CCCN(C(=O)c2cc3c(cc2[O-])CCCC3)C1 ZINC000049179957 286919545 /nfs/dbraw/zinc/91/95/45/286919545.db2.gz PVLLIONQTCSPBI-LBPRGKRZSA-N -1 3 273.376 3.143 20 0 CGADHM COc1cccc(C(=O)Nc2cc(F)cc(F)c2F)c1[O-] ZINC000061120381 286957238 /nfs/dbraw/zinc/95/72/38/286957238.db2.gz LADYERZZFXVAOO-UHFFFAOYSA-N -1 3 297.232 3.070 20 0 CGADHM CCC[C@@]1(C)CCCN(C(=O)c2ccc(OC)cc2[O-])C1 ZINC000075500637 287025352 /nfs/dbraw/zinc/02/53/52/287025352.db2.gz PTVKGTXKHXGTJM-KRWDZBQOSA-N -1 3 291.391 3.443 20 0 CGADHM Cc1cccc(C(=O)Nc2ccc(N(C)C)cc2C)c1[O-] ZINC000078360890 287048251 /nfs/dbraw/zinc/04/82/51/287048251.db2.gz XGKOQWPHFKQEMA-UHFFFAOYSA-N -1 3 284.359 3.327 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2C[C@H]3CCCC[C@@H]3C2)c1 ZINC000078247554 287046147 /nfs/dbraw/zinc/04/61/47/287046147.db2.gz KAUUJAHZPFCCPA-ZIAGYGMSSA-N -1 3 273.376 3.217 20 0 CGADHM COc1ccc([C@@H](C)NC(=O)c2cc(C)ccc2[O-])cc1 ZINC000080028321 287062631 /nfs/dbraw/zinc/06/26/31/287062631.db2.gz IPMYOBHXZZSDFL-GFCCVEGCSA-N -1 3 285.343 3.200 20 0 CGADHM CCC1(CC)CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000062959673 165028969 /nfs/dbraw/zinc/02/89/69/165028969.db2.gz XXMMXNQCGCKMGE-UHFFFAOYSA-N -1 3 261.365 3.435 20 0 CGADHM Cc1ccccc1-n1cc(C(=O)Nc2ccccc2[O-])cn1 ZINC000069965157 165054879 /nfs/dbraw/zinc/05/48/79/165054879.db2.gz OQRSPAUMHSGVLY-UHFFFAOYSA-N -1 3 293.326 3.139 20 0 CGADHM CC[C@@H]1CC[C@@H](C)N1C(=O)c1c[n-]c2c(C)cccc2c1=O ZINC000408349554 287099414 /nfs/dbraw/zinc/09/94/14/287099414.db2.gz RAFVEJRKCKZJJS-CHWSQXEVSA-N -1 3 298.386 3.240 20 0 CGADHM O=C(Nc1ccccc1[O-])C1(C(F)F)CCCC1 ZINC000562324392 289691780 /nfs/dbraw/zinc/69/17/80/289691780.db2.gz NIMZDVUZHUUMBU-UHFFFAOYSA-N -1 3 255.264 3.156 20 0 CGADHM CC(C)C[C@H](CNc1ccnc2ccccc21)C(=O)[O-] ZINC000094703349 165392388 /nfs/dbraw/zinc/39/23/88/165392388.db2.gz CGRRQTRPVWWIAR-GFCCVEGCSA-N -1 3 272.348 3.394 20 0 CGADHM CC(C)[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccccc1F ZINC000112674592 287143613 /nfs/dbraw/zinc/14/36/13/287143613.db2.gz RTWHRNBBLAURME-GXTWGEPZSA-N -1 3 299.411 3.319 20 0 CGADHM O=C(c1ccccc1[O-])N(CCc1cccc(F)c1)C1CC1 ZINC000113841039 287148956 /nfs/dbraw/zinc/14/89/56/287148956.db2.gz MXHUJFHAJVTWTB-UHFFFAOYSA-N -1 3 299.345 3.379 20 0 CGADHM Cc1cc(C(=O)N[C@H](C)CCc2ccccc2)ccc1[O-] ZINC000114428328 287151176 /nfs/dbraw/zinc/15/11/76/287151176.db2.gz AKLHDLJCLDTLGX-CQSZACIVSA-N -1 3 283.371 3.452 20 0 CGADHM COc1cccc(C(=O)Nc2cccc3cnccc32)c1[O-] ZINC000123099609 287215926 /nfs/dbraw/zinc/21/59/26/287215926.db2.gz ZGESMVUQMUGDNR-UHFFFAOYSA-N -1 3 294.310 3.201 20 0 CGADHM Cc1ccc(NC(=O)CCC(=O)c2ccccc2)c([O-])c1 ZINC000006454203 170202599 /nfs/dbraw/zinc/20/25/99/170202599.db2.gz NWMRZIUFRMJLBJ-UHFFFAOYSA-N -1 3 283.327 3.302 20 0 CGADHM COc1ccc(C(=O)N2CC[C@@H]3CCCC[C@@H]3C2)c([O-])c1 ZINC000035175091 172028631 /nfs/dbraw/zinc/02/86/31/172028631.db2.gz JXYYNWVQMHTWQO-QWHCGFSZSA-N -1 3 289.375 3.053 20 0 CGADHM Cc1cccc(C(=O)N2CCC[C@@H]3CCCC[C@@H]32)c1[O-] ZINC000035219406 172059725 /nfs/dbraw/zinc/05/97/25/172059725.db2.gz OVSIXBJWMMNWBA-ZFWWWQNUSA-N -1 3 273.376 3.495 20 0 CGADHM CCCc1nnc([N-]C(=O)c2sccc2Cl)s1 ZINC000285164995 196211303 /nfs/dbraw/zinc/21/13/03/196211303.db2.gz RDBOTJWRXLDMKJ-UHFFFAOYSA-N -1 3 287.797 3.458 20 0 CGADHM COC(=O)c1c(C)cccc1NC(=O)c1ccc([O-])c(C)c1 ZINC000436919416 533679888 /nfs/dbraw/zinc/67/98/88/533679888.db2.gz CJDMNXJWVVTGNS-UHFFFAOYSA-N -1 3 299.326 3.048 20 0 CGADHM O=C([O-])C[C@@H]1CCCCN1Cc1ccccc1Cl ZINC000038027755 174013798 /nfs/dbraw/zinc/01/37/98/174013798.db2.gz VYJXEBQRYASHNC-LBPRGKRZSA-N -1 3 267.756 3.169 20 0 CGADHM O=C([O-])C[C@H]1CCCCN1CCSc1ccccc1F ZINC000038027894 174015029 /nfs/dbraw/zinc/01/50/29/174015029.db2.gz KMZGYULWYZXRTN-GFCCVEGCSA-N -1 3 297.395 3.247 20 0 CGADHM Cc1oc(CN(C)[C@@H](C)C(C)(C)C)cc1C(=O)[O-] ZINC000042771085 174871201 /nfs/dbraw/zinc/87/12/01/174871201.db2.gz VSQAWBQAPRRAGP-JTQLQIEISA-N -1 3 253.342 3.153 20 0 CGADHM C[C@@H]1CCN(C(=O)NCc2ccc([O-])c(F)c2)C[C@@H](C)C1 ZINC000127889766 287298200 /nfs/dbraw/zinc/29/82/00/287298200.db2.gz FXRBFSZHSQAJAO-NEPJUHHUSA-N -1 3 294.370 3.109 20 0 CGADHM O=C(CCCOc1ccccc1)Nc1cccc([O-])c1F ZINC000128463035 287311696 /nfs/dbraw/zinc/31/16/96/287311696.db2.gz WTMJFWTZLCOJFN-UHFFFAOYSA-N -1 3 289.306 3.329 20 0 CGADHM COc1cc(C)sc1C(=O)Nc1cccc([O-])c1F ZINC000128375375 287309606 /nfs/dbraw/zinc/30/96/06/287309606.db2.gz CRFCRYGJOQUAJK-UHFFFAOYSA-N -1 3 281.308 3.162 20 0 CGADHM COc1ccc([O-])c(C(=O)Nc2ccc(F)c(F)c2F)c1 ZINC000051770585 416479407 /nfs/dbraw/zinc/47/94/07/416479407.db2.gz IYYHKUDRRJRDBL-UHFFFAOYSA-N -1 3 297.232 3.070 20 0 CGADHM Cc1ccc(C(=O)N[C@@H](C)Cc2ccsc2)c([O-])c1C ZINC000048751889 416460194 /nfs/dbraw/zinc/46/01/94/416460194.db2.gz NVHOWALYPTZUPM-NSHDSACASA-N -1 3 289.400 3.432 20 0 CGADHM Cc1cc(N2CC[C@H](C(=O)[O-])[C@H](C)C2)c2ccccc2n1 ZINC000314848142 416537892 /nfs/dbraw/zinc/53/78/92/416537892.db2.gz MGQNMEQPUKYYAY-YPMHNXCESA-N -1 3 284.359 3.090 20 0 CGADHM CC1(NCc2cccc([O-])c2Br)CCC1 ZINC000315089410 416538084 /nfs/dbraw/zinc/53/80/84/416538084.db2.gz VDMJGQQQHAENMJ-UHFFFAOYSA-N -1 3 270.170 3.187 20 0 CGADHM Cc1cccc([O-])c1NC(=O)CCOc1ccccc1 ZINC000179551670 224656883 /nfs/dbraw/zinc/65/68/83/224656883.db2.gz SOSVRPZPLLKHOG-UHFFFAOYSA-N -1 3 271.316 3.108 20 0 CGADHM Cc1cccc([O-])c1NC(=O)c1cc(-c2ccccc2)[nH]n1 ZINC000179561619 224657909 /nfs/dbraw/zinc/65/79/09/224657909.db2.gz SQJOKFULMLOZDY-UHFFFAOYSA-N -1 3 293.326 3.343 20 0 CGADHM C[C@@H](C(=O)Nc1cccc([O-])c1F)c1ccsc1 ZINC000129576193 287335010 /nfs/dbraw/zinc/33/50/10/287335010.db2.gz YXUFKKNPPWHRIK-MRVPVSSYSA-N -1 3 265.309 3.335 20 0 CGADHM Cc1cccc(C(=O)Nc2cccc(-c3nnco3)c2)c1[O-] ZINC000130092800 287344771 /nfs/dbraw/zinc/34/47/71/287344771.db2.gz MTQXVIPBKZSOJG-UHFFFAOYSA-N -1 3 295.298 3.003 20 0 CGADHM CCc1ccc([C@H](C)C(=O)Nc2nc(C)ccc2[O-])cc1 ZINC000680321560 543696765 /nfs/dbraw/zinc/69/67/65/543696765.db2.gz TWYBFPZVTNJOKO-LBPRGKRZSA-N -1 3 284.359 3.400 20 0 CGADHM O=C(c1cccc([O-])c1)N1CC[C@H]1c1cccc(F)c1 ZINC000679635312 543652514 /nfs/dbraw/zinc/65/25/14/543652514.db2.gz GPOFJXFDVGZHPL-HNNXBMFYSA-N -1 3 271.291 3.119 20 0 CGADHM CCc1c(NC(=O)c2cccc([O-])c2)cnn1CC(C)C ZINC000679643294 543652946 /nfs/dbraw/zinc/65/29/46/543652946.db2.gz GFKXWHUEQPGVCU-UHFFFAOYSA-N -1 3 287.363 3.059 20 0 CGADHM CCc1ccc([O-])c(C(=O)NC(C)(C)CC(F)(F)F)c1 ZINC000682023411 543816289 /nfs/dbraw/zinc/81/62/89/543816289.db2.gz WBFJHIBKJVAOHK-UHFFFAOYSA-N -1 3 289.297 3.415 20 0 CGADHM COc1cc(C(=O)N[C@@H]2CCc3ccc(C)cc32)ccc1[O-] ZINC000682380482 543838436 /nfs/dbraw/zinc/83/84/36/543838436.db2.gz MCIKQNZYTADMMY-OAHLLOKOSA-N -1 3 297.354 3.127 20 0 CGADHM C[C@@H](N[C@@H]1CCCN(C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000736662727 572802826 /nfs/dbraw/zinc/80/28/26/572802826.db2.gz SIYWWLQXZXXQEV-ZWNOBZJWSA-N -1 3 282.771 3.133 20 0 CGADHM CC[C@@H]1c2ccsc2CCN1CCCCC(=O)[O-] ZINC000181546905 287380502 /nfs/dbraw/zinc/38/05/02/287380502.db2.gz GSCSYTWJEQFJGO-GFCCVEGCSA-N -1 3 267.394 3.312 20 0 CGADHM COc1ccccc1/C=C/CNCc1cccc(C(=O)[O-])c1 ZINC000683170597 543901018 /nfs/dbraw/zinc/90/10/18/543901018.db2.gz HKTHJICTRDLFGQ-WEVVVXLNSA-N -1 3 297.354 3.196 20 0 CGADHM C[C@H]1CCN(C(=O)CCC(F)F)c2c([O-])cccc21 ZINC000684477951 544007472 /nfs/dbraw/zinc/00/74/72/544007472.db2.gz LVWHWLRXLKHQQX-VIFPVBQESA-N -1 3 269.291 3.278 20 0 CGADHM CO[C@@H]1CCC[C@H]1[N-]c1nc(-c2cccc(Cl)c2)no1 ZINC000132641764 287407957 /nfs/dbraw/zinc/40/79/57/287407957.db2.gz QWHBHMXSSJZTGF-VXGBXAGGSA-N -1 3 293.754 3.369 20 0 CGADHM Cc1ccncc1[C@H](C)NC(=O)c1cc([O-])ccc1Cl ZINC000685812376 544098383 /nfs/dbraw/zinc/09/83/83/544098383.db2.gz UUHTZBVAWXSVJY-JTQLQIEISA-N -1 3 290.750 3.240 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CCC[C@@H](C3CC3)C2)c1 ZINC000685857985 544104026 /nfs/dbraw/zinc/10/40/26/544104026.db2.gz VTAQHPHKFOHTRB-CQSZACIVSA-N -1 3 273.376 3.217 20 0 CGADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@H]1C[C@H]1C1CC1 ZINC000134218149 287438134 /nfs/dbraw/zinc/43/81/34/287438134.db2.gz LXSSCVZKHJBHJR-UWVGGRQHSA-N -1 3 285.265 3.396 20 0 CGADHM CSCCCC(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000134215033 287438226 /nfs/dbraw/zinc/43/82/26/287438226.db2.gz BJHVBZUWWDMPLK-UHFFFAOYSA-N -1 3 293.310 3.493 20 0 CGADHM O=C([O-])C[C@@H]1CCCCN1Cc1ccccc1OC1CC1 ZINC000652463755 418971480 /nfs/dbraw/zinc/97/14/80/418971480.db2.gz TUJPZZOMTQBYRE-AWEZNQCLSA-N -1 3 289.375 3.057 20 0 CGADHM CN(Cc1ccc(Cl)cc1Cl)CC1(C(=O)[O-])CC1 ZINC000652374424 418960270 /nfs/dbraw/zinc/96/02/70/418960270.db2.gz QWPUYNQKYAWXOV-UHFFFAOYSA-N -1 3 288.174 3.290 20 0 CGADHM CCN(CCC(F)(F)F)Cc1ccc(C(=O)[O-])cc1 ZINC000653364658 419028125 /nfs/dbraw/zinc/02/81/25/419028125.db2.gz PEIWUUVKNLWNNX-UHFFFAOYSA-N -1 3 275.270 3.159 20 0 CGADHM O=C(c1cc([O-])ccc1Cl)N1CCC12CCCC2 ZINC000652569555 418981161 /nfs/dbraw/zinc/98/11/61/418981161.db2.gz WGTBMSCJZCNKRT-UHFFFAOYSA-N -1 3 265.740 3.204 20 0 CGADHM CCc1cc(=O)[n-]c(-c2ccc(NC3CC(C)(C)C3)nc2)n1 ZINC000664629433 418987592 /nfs/dbraw/zinc/98/75/92/418987592.db2.gz SZJRTOPHUCMDPZ-UHFFFAOYSA-N -1 3 298.390 3.407 20 0 CGADHM Cc1cc(CN2CCSC3(CCC3)CC2)oc1C(=O)[O-] ZINC000659796368 418992790 /nfs/dbraw/zinc/99/27/90/418992790.db2.gz QKEMCRCWXJYTMN-UHFFFAOYSA-N -1 3 295.404 3.148 20 0 CGADHM CC1(NCc2cccc([O-])c2Br)CC=CC1 ZINC000655815466 419106169 /nfs/dbraw/zinc/10/61/69/419106169.db2.gz ALDWOMMLJMBANK-UHFFFAOYSA-N -1 3 282.181 3.353 20 0 CGADHM O=C([O-])[C@@H](CNCc1ccc(Cl)cc1F)C1CCC1 ZINC000665359683 419118044 /nfs/dbraw/zinc/11/80/44/419118044.db2.gz IIRXDGWGWSIZDY-LBPRGKRZSA-N -1 3 285.746 3.070 20 0 CGADHM Cc1csc([C@H](C)C(=O)Nc2ccc(C)cc2[O-])n1 ZINC000665203764 419080340 /nfs/dbraw/zinc/08/03/40/419080340.db2.gz OXHGBTHTJHTXMG-SNVBAGLBSA-N -1 3 276.361 3.208 20 0 CGADHM CCc1cccc(C(=O)N2CC[C@@H](C3CCC3)C2)c1[O-] ZINC000665681526 419148993 /nfs/dbraw/zinc/14/89/93/419148993.db2.gz HUQOEEAWPGNEFW-CQSZACIVSA-N -1 3 273.376 3.217 20 0 CGADHM C1CC1[C@@H]([N-]c1nc(C2CCC2)no1)[C@@H]1CCCCO1 ZINC000656206476 419150260 /nfs/dbraw/zinc/15/02/60/419150260.db2.gz FEFUQYMYGAMMLG-QWHCGFSZSA-N -1 3 277.368 3.097 20 0 CGADHM Cc1cc(=O)[n-]c(C(C)(C)NCC/C=C/c2ccccc2)n1 ZINC000660750230 419189702 /nfs/dbraw/zinc/18/97/02/419189702.db2.gz ZLMBJEAZNVFBED-YRNVUSSQSA-N -1 3 297.402 3.419 20 0 CGADHM O=C([O-])[C@@H]1CCN([C@@H]2C=CCCC2)[C@H]2CCCC[C@@H]12 ZINC000656764952 419212007 /nfs/dbraw/zinc/21/20/07/419212007.db2.gz LVUFCVXMNDDBRR-BARDWOONSA-N -1 3 263.381 3.060 20 0 CGADHM CC(C)(C)O[C@@H]1C[C@@H](NCc2ncccc2[O-])C12CCC2 ZINC000661838583 419303145 /nfs/dbraw/zinc/30/31/45/419303145.db2.gz HEFQODVAFQMSGD-HUUCEWRRSA-N -1 3 290.407 3.003 20 0 CGADHM CC(C)(C)O[C@H]1C[C@@H](NCc2ncccc2[O-])C12CCC2 ZINC000661838580 419303457 /nfs/dbraw/zinc/30/34/57/419303457.db2.gz HEFQODVAFQMSGD-CABCVRRESA-N -1 3 290.407 3.003 20 0 CGADHM CCn1c(=O)[n-]nc1SCc1cccc(C(F)F)c1 ZINC000356014979 228087078 /nfs/dbraw/zinc/08/70/78/228087078.db2.gz RCZWOVVTTLLUER-UHFFFAOYSA-N -1 3 285.319 3.234 20 0 CGADHM CSc1ccc([O-])c(-c2nc([C@H](N)CC(C)C)no2)c1 ZINC000663250322 419529036 /nfs/dbraw/zinc/52/90/36/419529036.db2.gz DHFCHIIQLYTLOP-LLVKDONJSA-N -1 3 293.392 3.210 20 0 CGADHM Cc1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)ccc1[O-] ZINC000226953840 287636286 /nfs/dbraw/zinc/63/62/86/287636286.db2.gz PGOFQCLGZUVZKY-UHFFFAOYSA-N -1 3 285.387 3.399 20 0 CGADHM C[C@@H](c1ccccc1)N(C)C(=O)/C=C/c1cncc([O-])c1 ZINC000179398837 260047479 /nfs/dbraw/zinc/04/74/79/260047479.db2.gz RDDPOKCTCLNVRX-XEHSLEBBSA-N -1 3 282.343 3.020 20 0 CGADHM C[C@@H]1CCC[C@H]1CC(=O)N1CCCc2cccc([O-])c21 ZINC000187725195 260239100 /nfs/dbraw/zinc/23/91/00/260239100.db2.gz MWHWPBVSDLHSCB-OCCSQVGLSA-N -1 3 273.376 3.498 20 0 CGADHM CSc1ccccc1[N-]C(=O)c1cn2ccnc2s1 ZINC000188137193 261850797 /nfs/dbraw/zinc/85/07/97/261850797.db2.gz QCMAGWLJPSBTEV-UHFFFAOYSA-N -1 3 289.385 3.370 20 0 CGADHM O=C(Nc1ccccc1[O-])c1cnc2ccsc2c1 ZINC000525750911 262106423 /nfs/dbraw/zinc/10/64/23/262106423.db2.gz OWUJKPWGQRQBTH-UHFFFAOYSA-N -1 3 270.313 3.254 20 0 CGADHM COc1cc(OC)cc(-c2noc(-c3ccccc3[O-])n2)c1 ZINC000319288375 262192944 /nfs/dbraw/zinc/19/29/44/262192944.db2.gz JNMDPDLTTXIZGA-UHFFFAOYSA-N -1 3 298.298 3.126 20 0 CGADHM Cc1ccc(C(=O)N(C)C2CCC(C)CC2)c([O-])c1 ZINC000042315502 270031922 /nfs/dbraw/zinc/03/19/22/270031922.db2.gz JMHJBRPYJDBSOD-UHFFFAOYSA-N -1 3 261.365 3.351 20 0 CGADHM CC[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(OC)c1[O-] ZINC000042431707 270033031 /nfs/dbraw/zinc/03/30/31/270033031.db2.gz NDVBNGGFVKRNOK-YPMHNXCESA-N -1 3 277.364 3.099 20 0 CGADHM Cc1cccc(C(=O)N2CCc3ccccc3[C@@H]2C)c1[O-] ZINC000106683966 270049317 /nfs/dbraw/zinc/04/93/17/270049317.db2.gz JNGZQTGBKJRKEF-ZDUSSCGKSA-N -1 3 281.355 3.460 20 0 CGADHM O=C(NCCCc1c[nH]c2ccccc12)c1ccccc1[O-] ZINC000107774420 270050342 /nfs/dbraw/zinc/05/03/42/270050342.db2.gz LXZGBPFXGAKFCK-UHFFFAOYSA-N -1 3 294.354 3.236 20 0 CGADHM COc1cccc([C@H](C)C(=O)Nc2c(C)cccc2[O-])c1 ZINC000183041033 270055003 /nfs/dbraw/zinc/05/50/03/270055003.db2.gz WXIGYVKTUPDWDV-LBPRGKRZSA-N -1 3 285.343 3.451 20 0 CGADHM C=Cc1ccc(C(=O)Nc2cc(F)ccc2[O-])cc1 ZINC000185295530 270062295 /nfs/dbraw/zinc/06/22/95/270062295.db2.gz NDVJOGCPOBSMFN-UHFFFAOYSA-N -1 3 257.264 3.427 20 0 CGADHM CCC[C@@H](NCc1cc([O-])cc(F)c1)C(=O)OC(C)(C)C ZINC000185629020 270063787 /nfs/dbraw/zinc/06/37/87/270063787.db2.gz FXKAXACELDJHHT-CQSZACIVSA-N -1 3 297.370 3.131 20 0 CGADHM Cc1ccc(-c2cc(C(=O)Nc3ccccc3F)n[n-]2)o1 ZINC000193078432 270078561 /nfs/dbraw/zinc/07/85/61/270078561.db2.gz PMVAXJNZRXFMCT-UHFFFAOYSA-N -1 3 285.278 3.370 20 0 CGADHM Cc1ccc(-c2cc(C(=O)Nc3ccccc3F)[n-]n2)o1 ZINC000193078432 270078562 /nfs/dbraw/zinc/07/85/62/270078562.db2.gz PMVAXJNZRXFMCT-UHFFFAOYSA-N -1 3 285.278 3.370 20 0 CGADHM CCC[C@H](C(=O)Nc1ncccc1[O-])c1ccccc1 ZINC000194125515 270081083 /nfs/dbraw/zinc/08/10/83/270081083.db2.gz ATQYCMZCBGOMSL-ZDUSSCGKSA-N -1 3 270.332 3.310 20 0 CGADHM CS[C@@H]1CCC[C@H](NC(=O)c2cc(C)ccc2[O-])C1 ZINC000227355181 270086988 /nfs/dbraw/zinc/08/69/88/270086988.db2.gz BHKIBVPVVGTSIT-NWDGAFQWSA-N -1 3 279.405 3.105 20 0 CGADHM COc1ccc(C(=O)NC(C2CCC2)C2CCC2)c([O-])c1 ZINC000325289233 270094930 /nfs/dbraw/zinc/09/49/30/270094930.db2.gz RNSRSGJUKYHOAS-UHFFFAOYSA-N -1 3 289.375 3.099 20 0 CGADHM [O-]c1cccc(CN2CCC=C(F)C2)c1Br ZINC000459490479 270096409 /nfs/dbraw/zinc/09/64/09/270096409.db2.gz YYGIKVBPLTYULN-UHFFFAOYSA-N -1 3 286.144 3.214 20 0 CGADHM Cc1ccc(-c2ccc(CN[C@H]3C[C@H](C(=O)[O-])C3)o2)cc1 ZINC000519539549 270097532 /nfs/dbraw/zinc/09/75/32/270097532.db2.gz ASCFCBNFDIHKLZ-HDJSIYSDSA-N -1 3 285.343 3.208 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CCc3sccc3C2)c1 ZINC000522150382 270104964 /nfs/dbraw/zinc/10/49/64/270104964.db2.gz GCOHXKWBHSEEHM-UHFFFAOYSA-N -1 3 287.384 3.215 20 0 CGADHM Cc1ccc(-c2nc([C@H]3CC[C@@H](C)O3)no2)c([O-])c1C ZINC000528233806 270159046 /nfs/dbraw/zinc/15/90/46/270159046.db2.gz GQXFAHSRCVKBSZ-BXKDBHETSA-N -1 3 274.320 3.299 20 0 CGADHM Cc1cc(F)c(NC([O-])=NOCC2CC2)c(Cl)c1 ZINC000529258948 270178886 /nfs/dbraw/zinc/17/88/86/270178886.db2.gz UXMDFQNFFKEDKH-UHFFFAOYSA-N -1 3 272.707 3.251 20 0 CGADHM Cc1cc(F)c(NC(=O)[N-]OCC2CC2)c(Cl)c1 ZINC000529258948 270178887 /nfs/dbraw/zinc/17/88/87/270178887.db2.gz UXMDFQNFFKEDKH-UHFFFAOYSA-N -1 3 272.707 3.251 20 0 CGADHM CC(C)ON=C([O-])Nc1cccc2c1OC(C)(C)CC2 ZINC000529295640 270179817 /nfs/dbraw/zinc/17/98/17/270179817.db2.gz HEXQONMFAISJAL-UHFFFAOYSA-N -1 3 278.352 3.252 20 0 CGADHM CC(C)O[N-]C(=O)Nc1cccc2c1OC(C)(C)CC2 ZINC000529295640 270179818 /nfs/dbraw/zinc/17/98/18/270179818.db2.gz HEXQONMFAISJAL-UHFFFAOYSA-N -1 3 278.352 3.252 20 0 CGADHM Cc1scnc1[N-]C(=O)c1csc([C@@H]2CCCO2)n1 ZINC000529551649 270184184 /nfs/dbraw/zinc/18/41/84/270184184.db2.gz PDYKPSCHEIUNOJ-VIFPVBQESA-N -1 3 295.389 3.012 20 0 CGADHM CC(=O)c1ccc(C(=O)NCC[C@H]2CC=CCC2)cc1[O-] ZINC000529865884 270190054 /nfs/dbraw/zinc/19/00/54/270190054.db2.gz HKOOAOQCWGPTNX-ZDUSSCGKSA-N -1 3 287.359 3.071 20 0 CGADHM Cc1ccc(CN2CCc3occc3[C@H]2C(=O)[O-])c(C)c1 ZINC000530166842 270195187 /nfs/dbraw/zinc/19/51/87/270195187.db2.gz RIHTUHWZXOYZDY-INIZCTEOSA-N -1 3 285.343 3.080 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)[C@H]2CC=CCC2)c1-c1ccccc1F ZINC000530277710 270198089 /nfs/dbraw/zinc/19/80/89/270198089.db2.gz YULUGFXXLCXGLH-LBPRGKRZSA-N -1 3 299.349 3.241 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)[C@H](C)C2CCC2)c1-c1ccc(C)cc1 ZINC000530272140 270198244 /nfs/dbraw/zinc/19/82/44/270198244.db2.gz FEFMQNJFRACGII-GFCCVEGCSA-N -1 3 297.402 3.490 20 0 CGADHM C[C@@H](C(=O)Nc1ccc(Br)cc1[O-])C1CC1 ZINC000530632841 270201471 /nfs/dbraw/zinc/20/14/71/270201471.db2.gz XFQDGAFBHCKEGV-SSDOTTSWSA-N -1 3 284.153 3.139 20 0 CGADHM CCc1cccc(C(=O)Nc2cccc(COC)c2)c1[O-] ZINC000530879164 270203314 /nfs/dbraw/zinc/20/33/14/270203314.db2.gz KCTRHIVQMHMIFD-UHFFFAOYSA-N -1 3 285.343 3.353 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])[C@H]1CC12CCCCC2 ZINC000531680191 270208688 /nfs/dbraw/zinc/20/86/88/270208688.db2.gz KODSGHKNMVRBTR-LLVKDONJSA-N -1 3 263.312 3.440 20 0 CGADHM COc1ccc([O-])c(C(=O)N2C[C@H](C)[C@@H]3CCCC[C@H]32)c1 ZINC000248384566 287761529 /nfs/dbraw/zinc/76/15/29/287761529.db2.gz FIVMAAKYUIDLHY-CORIIIEPSA-N -1 3 289.375 3.052 20 0 CGADHM CCC[C@@H]1CCC[C@@H]1C(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000448892466 276274545 /nfs/dbraw/zinc/27/45/45/276274545.db2.gz CDGJAZDALOLDRS-MNOVXSKESA-N -1 3 288.351 3.220 20 0 CGADHM CCC[C@@H]1CCC[C@@H]1C(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000448892466 276274547 /nfs/dbraw/zinc/27/45/47/276274547.db2.gz CDGJAZDALOLDRS-MNOVXSKESA-N -1 3 288.351 3.220 20 0 CGADHM CCC[C@@H]1CCC[C@@H]1C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000448892466 276274549 /nfs/dbraw/zinc/27/45/49/276274549.db2.gz CDGJAZDALOLDRS-MNOVXSKESA-N -1 3 288.351 3.220 20 0 CGADHM Cc1ccc(NC(=O)/C=C\c2ccc(Cl)nc2)c([O-])c1 ZINC000255884627 287881899 /nfs/dbraw/zinc/88/18/99/287881899.db2.gz ARPCKVVVESOGHN-DAXSKMNVSA-N -1 3 288.734 3.401 20 0 CGADHM CC(=O)c1ccc(C(=O)N2CC[C@@H](C)C[C@H](C)C2)cc1[O-] ZINC000408463826 277108548 /nfs/dbraw/zinc/10/85/48/277108548.db2.gz DUMZEBFWLMCGNL-NEPJUHHUSA-N -1 3 289.375 3.103 20 0 CGADHM CO[C@@H]1CCCC[C@@H]1c1nc(-c2ccc([O-])cc2)no1 ZINC000293148421 277283605 /nfs/dbraw/zinc/28/36/05/277283605.db2.gz KNLQQWRMKNOTDQ-QWHCGFSZSA-N -1 3 274.320 3.115 20 0 CGADHM C[C@@H](C(=O)N1CCCc2cccc([O-])c21)c1ccccc1 ZINC000183845390 277543223 /nfs/dbraw/zinc/54/32/23/277543223.db2.gz ZDULXUPLACRYHX-CYBMUJFWSA-N -1 3 281.355 3.475 20 0 CGADHM C[C@@H]1CCc2ccccc2[C@H]1NC(=O)c1ccc(O)cc1[O-] ZINC000436711171 277806644 /nfs/dbraw/zinc/80/66/44/277806644.db2.gz DXLUWFLYUZGXCM-DIFFPNOSSA-N -1 3 297.354 3.151 20 0 CGADHM CC(C)c1ccc(C(=O)N2C[C@@H]3CCC[C@@H]3C2)c([O-])c1 ZINC000268103087 278029006 /nfs/dbraw/zinc/02/90/06/278029006.db2.gz BOZWBDQIRZDVJE-OKILXGFUSA-N -1 3 273.376 3.388 20 0 CGADHM CSC[C@H](C)C(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000186270586 278136549 /nfs/dbraw/zinc/13/65/49/278136549.db2.gz AGFHLPHKHHYTKU-MNOVXSKESA-N -1 3 279.405 3.232 20 0 CGADHM Cc1cc(C(=O)NC[C@H](C)CC(F)(F)F)ccc1[O-] ZINC000396993106 288019707 /nfs/dbraw/zinc/01/97/07/288019707.db2.gz CQTGSZBKEFHUME-MRVPVSSYSA-N -1 3 275.270 3.019 20 0 CGADHM C[C@@H]1CN(C(=O)c2cccc([O-])c2)[C@@H]2CCCC[C@H]21 ZINC000248384403 288045839 /nfs/dbraw/zinc/04/58/39/288045839.db2.gz DTCQPGLQJRQMKY-BYCMXARLSA-N -1 3 259.349 3.043 20 0 CGADHM Cc1cc(C(=O)N[C@@H]2CCOc3c(C)cccc32)ccc1[O-] ZINC000356673727 278648250 /nfs/dbraw/zinc/64/82/50/278648250.db2.gz KYJHAUZKAAMZOH-OAHLLOKOSA-N -1 3 297.354 3.263 20 0 CGADHM Cc1ccc([O-])c(CNc2cccc(N(C)C)c2C)n1 ZINC000342861074 278836036 /nfs/dbraw/zinc/83/60/36/278836036.db2.gz KZXYRAOFYUXTGS-UHFFFAOYSA-N -1 3 271.364 3.082 20 0 CGADHM Cc1csc(-c2nc3ccc(Cl)cc3c(=O)[n-]2)n1 ZINC000183645444 279037667 /nfs/dbraw/zinc/03/76/67/279037667.db2.gz PEAXRKPWMGCAQP-UHFFFAOYSA-N -1 3 277.736 3.008 20 0 CGADHM CC(C)O[N-]C(=O)/C=C\c1ccccc1OC(F)(F)F ZINC000493780543 288122646 /nfs/dbraw/zinc/12/26/46/288122646.db2.gz CFZVSGSROUPTAZ-FPLPWBNLSA-N -1 3 289.253 3.055 20 0 CGADHM O=C(NCCCC1CC1)c1cc([O-])ccc1C(F)(F)F ZINC000527248001 288160997 /nfs/dbraw/zinc/16/09/97/288160997.db2.gz XIUNNWVHEUBAAW-UHFFFAOYSA-N -1 3 287.281 3.331 20 0 CGADHM COc1cc(C(=O)N[C@@H]2CCc3c2cccc3C)ccc1[O-] ZINC000527487323 288172108 /nfs/dbraw/zinc/17/21/08/288172108.db2.gz FIXOZJZIDZWBAT-OAHLLOKOSA-N -1 3 297.354 3.127 20 0 CGADHM CC1(C(=O)[N-]OC2CCCC2)CCC(F)(F)CC1 ZINC000528964550 288225474 /nfs/dbraw/zinc/22/54/74/288225474.db2.gz JHEKVPFRYUIPSV-UHFFFAOYSA-N -1 3 261.312 3.192 20 0 CGADHM C[C@@H]1[C@@H](C(=O)Nc2ccc([O-])cc2Cl)[C@H]1C1CC1 ZINC000529514240 288255577 /nfs/dbraw/zinc/25/55/77/288255577.db2.gz AFQWHSAFVYAUNX-HAGUPOPPSA-N -1 3 265.740 3.276 20 0 CGADHM Cc1ccc2c(CN3CCO[C@@H]4CCC[C@@H]43)ccc([O-])c2n1 ZINC000338236748 281045877 /nfs/dbraw/zinc/04/58/77/281045877.db2.gz RAHDRHXIHRFMEH-DOTOQJQBSA-N -1 3 298.386 3.002 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-][C@H](C)[C@@H](C)C2CCCCC2)o1 ZINC000540215210 288651301 /nfs/dbraw/zinc/65/13/01/288651301.db2.gz DTICESSVZQRKBU-CHWSQXEVSA-N -1 3 299.436 3.471 20 0 CGADHM C[C@@H]1CN(C(=O)NCc2ccc([O-])c(F)c2)CC(C)(C)C1 ZINC000541483672 288703233 /nfs/dbraw/zinc/70/32/33/288703233.db2.gz ZDXLWOGKBAVAQJ-NSHDSACASA-N -1 3 294.370 3.109 20 0 CGADHM CCc1cccc(-c2nc(CCC(F)(F)F)no2)c1[O-] ZINC000545618057 288898310 /nfs/dbraw/zinc/89/83/10/288898310.db2.gz ADXXVBWHQISMHS-UHFFFAOYSA-N -1 3 286.253 3.500 20 0 CGADHM O=C(Cc1ccc(F)cc1)Nc1c([O-])cccc1Cl ZINC000552780521 289198307 /nfs/dbraw/zinc/19/83/07/289198307.db2.gz BHQCPZHWIZLRHY-UHFFFAOYSA-N -1 3 279.698 3.366 20 0 CGADHM CC(C)(C)CCCCNC(=O)N=c1cc2ccccn2[n-]1 ZINC000554533946 289290272 /nfs/dbraw/zinc/29/02/72/289290272.db2.gz KLEQICRQJNAIAL-UHFFFAOYSA-N -1 3 288.395 3.094 20 0 CGADHM CC(=O)CSCc1ccc([O-])c2nc(C)ccc12 ZINC000554617769 289297133 /nfs/dbraw/zinc/29/71/33/289297133.db2.gz YQFCSIVJVSTMOO-UHFFFAOYSA-N -1 3 261.346 3.071 20 0 CGADHM [O-]c1cccnc1CNC1(c2ccc(F)cc2F)CCC1 ZINC000554862159 289314637 /nfs/dbraw/zinc/31/46/37/289314637.db2.gz DFQKTJRVEMTPGB-UHFFFAOYSA-N -1 3 290.313 3.234 20 0 CGADHM CCc1cccc(C(=O)N2CC3(CCC3)C[C@@H]2C)c1[O-] ZINC000555763647 289359880 /nfs/dbraw/zinc/35/98/80/289359880.db2.gz QMESTHJBBVRFAF-LBPRGKRZSA-N -1 3 273.376 3.359 20 0 CGADHM COCc1ccc(C(=O)Nc2c([O-])cccc2Cl)cc1 ZINC000557182033 289433898 /nfs/dbraw/zinc/43/38/98/289433898.db2.gz GKKKWKDMLZSPKB-UHFFFAOYSA-N -1 3 291.734 3.444 20 0 CGADHM CC(=O)c1cccc(NC(=O)[C@@H](C)c2ccccc2)c1[O-] ZINC000560551087 289604118 /nfs/dbraw/zinc/60/41/18/289604118.db2.gz RKRCPBOQTHPJSP-NSHDSACASA-N -1 3 283.327 3.337 20 0 CGADHM CCC[C@@H]1CCC[C@H]1C(=O)N=c1cc(-c2cccnc2)[n-][nH]1 ZINC000562519280 289710348 /nfs/dbraw/zinc/71/03/48/289710348.db2.gz UUVGTPKONISFSB-TZMCWYRMSA-N -1 3 298.390 3.049 20 0 CGADHM COc1ccccc1CN[C@H](CCC(=O)[O-])c1ccccc1 ZINC000417602891 295363057 /nfs/dbraw/zinc/36/30/57/295363057.db2.gz PLACQGIUOPKZSR-MRXNPFEDSA-N -1 3 299.370 3.391 20 0 CGADHM Cc1cc(C(=O)N2CCC[C@H](C(F)(F)F)C2)ccc1[O-] ZINC000227015648 301097085 /nfs/dbraw/zinc/09/70/85/301097085.db2.gz MFIZHWWJNYSAMS-NSHDSACASA-N -1 3 287.281 3.115 20 0 CGADHM Cc1cc(N2C[C@H](C)C[C@@H](C(=O)[O-])C2)c2ccccc2n1 ZINC000263266728 301344332 /nfs/dbraw/zinc/34/43/32/301344332.db2.gz VMXSALUIOYGHCC-DGCLKSJQSA-N -1 3 284.359 3.090 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N2Cc3ccccc3C(C)(C)C2)n1 ZINC000516709315 301374827 /nfs/dbraw/zinc/37/48/27/301374827.db2.gz HYLSULJYWJVLHZ-ZDUSSCGKSA-N -1 3 297.402 3.345 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CC[C@@H](C)[C@H](C)C2)c1 ZINC000153778164 321727340 /nfs/dbraw/zinc/72/73/40/321727340.db2.gz IMBMFHQVTSRRQL-VXGBXAGGSA-N -1 3 261.365 3.073 20 0 CGADHM Cc1conc1[N-]C(=O)c1cc(F)c(Cl)cc1F ZINC000161791273 321873361 /nfs/dbraw/zinc/87/33/61/321873361.db2.gz CUAURGGJAVPINA-UHFFFAOYSA-N -1 3 272.638 3.167 20 0 CGADHM C[C@@H]1Cc2cc(F)ccc2[C@H](C)N1CCCCC(=O)[O-] ZINC000564092905 322020049 /nfs/dbraw/zinc/02/00/49/322020049.db2.gz PDRIMZXJXZRFDD-NEPJUHHUSA-N -1 3 279.355 3.388 20 0 CGADHM CCc1cccc(-c2nc([C@@](C)(OC)C3CC3)no2)c1[O-] ZINC000564451906 322031549 /nfs/dbraw/zinc/03/15/49/322031549.db2.gz MPXLGQQOFOVAJB-INIZCTEOSA-N -1 3 288.347 3.276 20 0 CGADHM Cc1cccc(OCCN(C)Cc2ccccc2C(=O)[O-])c1 ZINC000565101501 322059679 /nfs/dbraw/zinc/05/96/79/322059679.db2.gz MUFXNXFLDRPMFF-UHFFFAOYSA-N -1 3 299.370 3.204 20 0 CGADHM Cc1ccccc1C[C@H](C)N(C)Cc1ccc(C(=O)[O-])cn1 ZINC000565365800 322074907 /nfs/dbraw/zinc/07/49/07/322074907.db2.gz HSEMCMGFOMNDMO-AWEZNQCLSA-N -1 3 298.386 3.151 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)C[C@@H](C)n2ccnc2)c1[O-] ZINC000566338609 322116862 /nfs/dbraw/zinc/11/68/62/322116862.db2.gz ZSCCIKSWQCRFHT-SNVBAGLBSA-N -1 3 293.754 3.140 20 0 CGADHM CC1([N-]S(=O)(=O)c2ccc3ccccc3c2F)CCC1 ZINC000566719919 322135630 /nfs/dbraw/zinc/13/56/30/322135630.db2.gz ZTYUGTFQYUPDKJ-UHFFFAOYSA-N -1 3 293.363 3.200 20 0 CGADHM O=C([O-])c1ccoc1CN1CCC[C@H]1c1cccs1 ZINC000567241597 322155977 /nfs/dbraw/zinc/15/59/77/322155977.db2.gz AOQYICKNLZAAPE-NSHDSACASA-N -1 3 277.345 3.376 20 0 CGADHM CC[C@@H](c1ccccc1)N(CC(=O)[O-])Cc1cccnc1 ZINC000567369063 322161184 /nfs/dbraw/zinc/16/11/84/322161184.db2.gz PSYIHCVCIZJOQS-INIZCTEOSA-N -1 3 284.359 3.120 20 0 CGADHM C[C@@H]1C[C@@H](C)N(Cc2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC000568066821 322191395 /nfs/dbraw/zinc/19/13/95/322191395.db2.gz DBRSPZKCSXFWKN-NXEZZACHSA-N -1 3 267.756 3.269 20 0 CGADHM C[C@@H]1c2ccccc2CCN1Cc1ccoc1C(=O)[O-] ZINC000568065766 322191808 /nfs/dbraw/zinc/19/18/08/322191808.db2.gz FUGHDCSEJGWUDC-LLVKDONJSA-N -1 3 271.316 3.097 20 0 CGADHM Cc1ccccc1[C@H](NC(=O)Cc1cncc([O-])c1)C(C)C ZINC000568232281 322198970 /nfs/dbraw/zinc/19/89/70/322198970.db2.gz KDRQUQJORSKBJP-GOSISDBHSA-N -1 3 298.386 3.152 20 0 CGADHM C[C@H](NCc1ncccc1[O-])c1ccc2ncsc2c1 ZINC000568445109 322209664 /nfs/dbraw/zinc/20/96/64/322209664.db2.gz NXEOXBDVNKLFLL-JTQLQIEISA-N -1 3 285.372 3.248 20 0 CGADHM Cc1oc([C@H](C)N2CCC(OC(C)C)CC2)cc1C(=O)[O-] ZINC000568639191 322216919 /nfs/dbraw/zinc/21/69/19/322216919.db2.gz NQYRGLGCZLMIDG-NSHDSACASA-N -1 3 295.379 3.237 20 0 CGADHM CC(C)C[C@H]1CCN([C@H](C(=O)[O-])c2ccsc2)C1 ZINC000569858368 322258876 /nfs/dbraw/zinc/25/88/76/322258876.db2.gz VGYYLWOTMNMHPR-YPMHNXCESA-N -1 3 267.394 3.242 20 0 CGADHM CCC1(CC)CCCN(C(=O)Cc2cncc([O-])c2)CC1 ZINC000570071180 322264440 /nfs/dbraw/zinc/26/44/40/322264440.db2.gz MWNHLHZAFYKWST-UHFFFAOYSA-N -1 3 290.407 3.149 20 0 CGADHM [O-]c1cccnc1CN1CCC[C@H]1c1cccc(F)c1 ZINC000570484707 322274409 /nfs/dbraw/zinc/27/44/09/322274409.db2.gz MLYBFGWJENCUPT-HNNXBMFYSA-N -1 3 272.323 3.263 20 0 CGADHM C[C@@H]1CCCC[C@H]1CNC(=O)c1c[n-]nc1-c1ccccn1 ZINC000571724895 322306054 /nfs/dbraw/zinc/30/60/54/322306054.db2.gz FZGVUFDBQOXDOY-OLZOCXBDSA-N -1 3 298.390 3.028 20 0 CGADHM CN(Cc1occc1C(=O)[O-])CC1(c2ccccc2)CC1 ZINC000572490078 322340327 /nfs/dbraw/zinc/34/03/27/322340327.db2.gz QHLHMQPCQLAMOZ-UHFFFAOYSA-N -1 3 285.343 3.141 20 0 CGADHM CCCO[C@H]1CCCN(Cc2cc(C)c(C(=O)[O-])o2)CC1 ZINC000573259208 322378914 /nfs/dbraw/zinc/37/89/14/322378914.db2.gz MKUZKHKBHUOKKM-ZDUSSCGKSA-N -1 3 295.379 3.067 20 0 CGADHM Cc1cc([N-]C(=O)[C@@H](C)Nc2ccc3c(c2)CCCC3)on1 ZINC000573583478 322395731 /nfs/dbraw/zinc/39/57/31/322395731.db2.gz AVMDVYNPNHNVNA-GFCCVEGCSA-N -1 3 299.374 3.301 20 0 CGADHM CCCc1coc([N-]C(=O)c2c(F)ccc(F)c2OC)n1 ZINC000573813779 322408263 /nfs/dbraw/zinc/40/82/63/322408263.db2.gz JPCVTJYJBFSGQL-UHFFFAOYSA-N -1 3 296.273 3.166 20 0 CGADHM CCc1ccc2nccc(N3CC[C@@H](C(=O)[O-])[C@H]3C)c2c1 ZINC000582668941 329122450 /nfs/dbraw/zinc/12/24/50/329122450.db2.gz QTLHAIFNQZWKEA-DGCLKSJQSA-N -1 3 284.359 3.097 20 0 CGADHM C[C@@H]1CCCN1Cc1cccc(C(=O)[O-])c1Cl ZINC000394504789 329124274 /nfs/dbraw/zinc/12/42/74/329124274.db2.gz ITAHSRRBUSWMDP-SECBINFHSA-N -1 3 253.729 3.023 20 0 CGADHM CCc1oc(C(=O)[O-])cc1CN(C)C[C@H](C)CC ZINC000582970094 329296237 /nfs/dbraw/zinc/29/62/37/329296237.db2.gz LMNINTSDVSIEOF-SNVBAGLBSA-N -1 3 253.342 3.018 20 0 CGADHM CC(C)(C)[C@H]1CCCC[C@@H]1NC(=O)Cc1cncc([O-])c1 ZINC000583033609 329305429 /nfs/dbraw/zinc/30/54/29/329305429.db2.gz FKMFWJSFBADNNR-GJZGRUSLSA-N -1 3 290.407 3.051 20 0 CGADHM COc1ccc(Cl)cc1CN1C[C@H](C(=O)[O-])CC[C@@H]1C ZINC000397112560 329343529 /nfs/dbraw/zinc/34/35/29/329343529.db2.gz SKIFUUHLCJKIRM-WDEREUQCSA-N -1 3 297.782 3.034 20 0 CGADHM O=C([O-])c1sccc1CN1CCS[C@H]2CCCC[C@@H]21 ZINC000580456554 330140985 /nfs/dbraw/zinc/14/09/85/330140985.db2.gz HQVGRPOVHRLXMK-RYUDHWBXSA-N -1 3 297.445 3.306 20 0 CGADHM C[C@@H](C(=O)Nc1cc(F)ccc1[O-])c1ccccc1F ZINC000174882211 335168371 /nfs/dbraw/zinc/16/83/71/335168371.db2.gz SZDZBQZBSUVCCC-SECBINFHSA-N -1 3 277.270 3.413 20 0 CGADHM Cc1noc(C)c1C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000175838829 335207850 /nfs/dbraw/zinc/20/78/50/335207850.db2.gz GFQCLVYYJYQGDX-UHFFFAOYSA-N -1 3 280.711 3.211 20 0 CGADHM O=C([O-])CCCN1CCC(c2cccc(F)c2F)CC1 ZINC000577158487 335312013 /nfs/dbraw/zinc/31/20/13/335312013.db2.gz SNIRFFFGDMOWOP-UHFFFAOYSA-N -1 3 283.318 3.009 20 0 CGADHM CCc1cccc(C(=O)N2C[C@H](C)[C@H](C)[C@@H]2C)c1[O-] ZINC000577483563 335357096 /nfs/dbraw/zinc/35/70/96/335357096.db2.gz HMPYJCCDLJLSIC-SRVKXCTJSA-N -1 3 261.365 3.071 20 0 CGADHM CC(C)(COCC(F)F)c1nc(-c2ccc([O-])cc2)no1 ZINC000350584473 335516552 /nfs/dbraw/zinc/51/65/52/335516552.db2.gz SREYOBHBSNBTNN-UHFFFAOYSA-N -1 3 298.289 3.002 20 0 CGADHM CC[C@H](C)[C@@H](OC)c1nc(-c2ccc([O-])c(OC)c2)no1 ZINC000350589636 335517618 /nfs/dbraw/zinc/51/76/18/335517618.db2.gz ZPEYOGUNECWOHO-TVQRCGJNSA-N -1 3 292.335 3.184 20 0 CGADHM Cc1ccc2c(CSc3cnccn3)ccc([O-])c2n1 ZINC000581322555 336049237 /nfs/dbraw/zinc/04/92/37/336049237.db2.gz RLCPKKJQXOOSOX-UHFFFAOYSA-N -1 3 283.356 3.331 20 0 CGADHM CCc1cccc(-c2nc(-c3ccn(C)c3)no2)c1[O-] ZINC000581336929 336052083 /nfs/dbraw/zinc/05/20/83/336052083.db2.gz MALBCQGKPGNZGA-UHFFFAOYSA-N -1 3 269.304 3.010 20 0 CGADHM C[C@@H]1C[C@@H](C)N(Cc2cccc(C(=O)[O-])c2Cl)C1 ZINC000381976470 336079264 /nfs/dbraw/zinc/07/92/64/336079264.db2.gz WDMFSDRTEWYGEP-NXEZZACHSA-N -1 3 267.756 3.269 20 0 CGADHM CC[C@@H]1CCC[C@@H]1C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000581609569 336111994 /nfs/dbraw/zinc/11/19/94/336111994.db2.gz GLYZEXAOTSTNTF-YPMHNXCESA-N -1 3 275.348 3.360 20 0 CGADHM CC(C)[C@@H](NCc1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000087761447 519799046 /nfs/dbraw/zinc/79/90/46/519799046.db2.gz CALMOHRQPNEIAM-LLVKDONJSA-N -1 3 276.163 3.192 20 0 CGADHM C[C@H]1CC[C@H](SCc2cc(=O)[n-]c(C3CC3)n2)C1 ZINC000419583593 533766690 /nfs/dbraw/zinc/76/66/90/533766690.db2.gz HMCNLXQMQZTTAL-CABZTGNLSA-N -1 3 264.394 3.481 20 0 CGADHM Cc1ccc([C@H](NC(=O)c2ccc(O)cc2[O-])C2CC2)cc1 ZINC000436673958 534228798 /nfs/dbraw/zinc/22/87/98/534228798.db2.gz TVSQIITWZIVCAE-KRWDZBQOSA-N -1 3 297.354 3.287 20 0 CGADHM Cc1ccc(C(=O)N(C)[C@@H]2CCc3ccccc32)c([O-])c1 ZINC000192626436 534259991 /nfs/dbraw/zinc/25/99/91/534259991.db2.gz NJFZUFZNMNXXAQ-MRXNPFEDSA-N -1 3 281.355 3.460 20 0 CGADHM Cc1ccc2c(c1)CN(C(=O)c1ccc([O-])c(C)c1)CCO2 ZINC000436660493 534424452 /nfs/dbraw/zinc/42/44/52/534424452.db2.gz VLACTPICQHSYFJ-UHFFFAOYSA-N -1 3 297.354 3.044 20 0 CGADHM Cc1noc([N-]C(=O)COc2ccc3ccccc3c2)c1C ZINC000359760599 534428197 /nfs/dbraw/zinc/42/81/97/534428197.db2.gz HWJAOHDBTPBPFX-UHFFFAOYSA-N -1 3 296.326 3.462 20 0 CGADHM O=C(CCc1nc(-c2ccc([O-])cc2)no1)c1ccccc1 ZINC000436773264 534489288 /nfs/dbraw/zinc/48/92/88/534489288.db2.gz QPTUEQWENWHAFN-UHFFFAOYSA-N -1 3 294.310 3.258 20 0 CGADHM O=C([O-])Cc1ccccc1CNCc1cccc2cc[nH]c21 ZINC000426715067 534507249 /nfs/dbraw/zinc/50/72/49/534507249.db2.gz PUCWHAADBHLPLE-UHFFFAOYSA-N -1 3 294.354 3.085 20 0 CGADHM O=C([O-])c1cccc(CNC/C=C\c2ccccc2)c1 ZINC000426697201 534549922 /nfs/dbraw/zinc/54/99/22/534549922.db2.gz SNHZYFFXUCIWDY-UITAMQMPSA-N -1 3 267.328 3.188 20 0 CGADHM Cc1cccc(C(=O)N2CCC(C(C)C)CC2)c1[O-] ZINC000174379757 534586515 /nfs/dbraw/zinc/58/65/15/534586515.db2.gz HDRWLBMJSYFJKX-UHFFFAOYSA-N -1 3 261.365 3.209 20 0 CGADHM Cc1cccc(C(=O)NC[C@H](c2cccnc2)C(C)C)c1[O-] ZINC000175268823 534608023 /nfs/dbraw/zinc/60/80/23/534608023.db2.gz BSMXLCQNBFNNNL-INIZCTEOSA-N -1 3 298.386 3.265 20 0 CGADHM CC(C)(C)C[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000511911520 534613555 /nfs/dbraw/zinc/61/35/55/534613555.db2.gz ZVWIYSOYZWLPAB-UHFFFAOYSA-N -1 3 296.219 3.318 20 0 CGADHM CC[C@H]1CCCC[C@@H]1OCC(=O)Nc1ccccc1[O-] ZINC000184494687 523049541 /nfs/dbraw/zinc/04/95/41/523049541.db2.gz SHNQEMXMLCBQNI-WFASDCNBSA-N -1 3 277.364 3.316 20 0 CGADHM CC[C@@H]1C[C@@H](C(=O)Nc2cc(Cl)cc(C)c2[O-])CCO1 ZINC000183822375 523532003 /nfs/dbraw/zinc/53/20/03/523532003.db2.gz RICIZQCAYGWLIR-CMPLNLGQSA-N -1 3 297.782 3.498 20 0 CGADHM COc1ccc([O-])c(C(=O)N2CCCC(C)(C)CC2)c1 ZINC000087658477 524723840 /nfs/dbraw/zinc/72/38/40/524723840.db2.gz ZLBNGUAVCHFJOZ-UHFFFAOYSA-N -1 3 277.364 3.053 20 0 CGADHM Cc1cc([N-]C(=O)[C@H](C)N2C[C@H](C)[C@@H]2c2ccccc2)on1 ZINC000081573596 525225597 /nfs/dbraw/zinc/22/55/97/525225597.db2.gz HRIMDPKBFLQXOA-DETPVDSQSA-N -1 3 299.374 3.003 20 0 CGADHM COc1cccc(C(=O)N(C)C2CCC(C)(C)CC2)c1[O-] ZINC000094820082 525788300 /nfs/dbraw/zinc/78/83/00/525788300.db2.gz LENMRVDHORXUBQ-UHFFFAOYSA-N -1 3 291.391 3.442 20 0 CGADHM Cc1nc(C)c(CNC(=O)c2ccc(C(C)C)cc2[O-])o1 ZINC000436734751 534882765 /nfs/dbraw/zinc/88/27/65/534882765.db2.gz CGKANUPWGUWZHH-UHFFFAOYSA-N -1 3 288.347 3.050 20 0 CGADHM CC(C)(C)c1nc(CNCCCCCC(=O)[O-])cs1 ZINC000426700908 526866069 /nfs/dbraw/zinc/86/60/69/526866069.db2.gz WATOBZZOAABSOO-UHFFFAOYSA-N -1 3 284.425 3.175 20 0 CGADHM CC(C)C(C)(C)C(=O)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000440317490 527558843 /nfs/dbraw/zinc/55/88/43/527558843.db2.gz PKAPOVDZFMFYTG-UHFFFAOYSA-N -1 3 271.364 3.119 20 0 CGADHM CC(C)(C)C[C@H](NC(=O)c1ccccc1[O-])C(F)(F)F ZINC000436889394 527702052 /nfs/dbraw/zinc/70/20/52/527702052.db2.gz YFUCGESINMMPCE-NSHDSACASA-N -1 3 289.297 3.489 20 0 CGADHM CC(C)NC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436746963 527717042 /nfs/dbraw/zinc/71/70/42/527717042.db2.gz IWELTCJZHGTEGR-UHFFFAOYSA-N -1 3 285.343 3.109 20 0 CGADHM CCC[C@@]1(C)CCCN(C(=O)c2cc(OC)ccc2[O-])C1 ZINC000173243555 527932432 /nfs/dbraw/zinc/93/24/32/527932432.db2.gz NEJOWDLWMNCTFL-KRWDZBQOSA-N -1 3 291.391 3.443 20 0 CGADHM CCCN(CC)C(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC000411357861 527960726 /nfs/dbraw/zinc/96/07/26/527960726.db2.gz BJJJBJQFFGFIBO-UHFFFAOYSA-N -1 3 292.766 3.054 20 0 CGADHM CCN(CC)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436757190 528064366 /nfs/dbraw/zinc/06/43/66/528064366.db2.gz TWOFUNZHGBOIRK-UHFFFAOYSA-N -1 3 283.371 3.465 20 0 CGADHM CC(C)c1ccc(C(=O)N2CCS[C@H](C)[C@H]2C)c([O-])c1 ZINC000436528181 528065628 /nfs/dbraw/zinc/06/56/28/528065628.db2.gz KMEHMXBATNYIEW-VXGBXAGGSA-N -1 3 293.432 3.482 20 0 CGADHM CCC[C@H](C)[C@H]1CCCN1C(=O)c1ccc(OC)cc1[O-] ZINC000436600856 528080673 /nfs/dbraw/zinc/08/06/73/528080673.db2.gz GKDMYWOMUMBSBS-SWLSCSKDSA-N -1 3 291.391 3.442 20 0 CGADHM CCCCN(CC)C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436678422 528393219 /nfs/dbraw/zinc/39/32/19/528393219.db2.gz BJYANDDAPRVXBC-UHFFFAOYSA-N -1 3 291.391 3.368 20 0 CGADHM CCC[C@]1(C)CCCN(C(=O)c2ccc([O-])c(OC)c2)C1 ZINC000436638585 528500933 /nfs/dbraw/zinc/50/09/33/528500933.db2.gz IYXZCZSPJBJTJY-QGZVFWFLSA-N -1 3 291.391 3.443 20 0 CGADHM CCCc1cc(=O)[n-]c(C(=Cc2cccnc2)CC)n1 ZINC000435337886 528569000 /nfs/dbraw/zinc/56/90/00/528569000.db2.gz ZHRSMPXIYSSSQK-UKTHLTGXSA-N -1 3 269.348 3.068 20 0 CGADHM CCCCOC1CCN(C(=O)c2ccc(C)cc2[O-])CC1 ZINC000436576389 528569915 /nfs/dbraw/zinc/56/99/15/528569915.db2.gz QZWMLQACCVLTIU-UHFFFAOYSA-N -1 3 291.391 3.122 20 0 CGADHM CCOc1cccc(CNC(=O)c2ccc([O-])c(CC)c2)c1 ZINC000436572649 528652455 /nfs/dbraw/zinc/65/24/55/528652455.db2.gz FEDKDAYTZXKRLP-UHFFFAOYSA-N -1 3 299.370 3.283 20 0 CGADHM CCCCOc1ccc(C(=O)N2C[C@@H](C)[C@@H]2C)c([O-])c1 ZINC000436635204 528661931 /nfs/dbraw/zinc/66/19/31/528661931.db2.gz NCZPAPILZYUWEP-NEPJUHHUSA-N -1 3 277.364 3.052 20 0 CGADHM CCCn1c(SCCCSCC(C)C)n[n-]c1=O ZINC000162036640 528821712 /nfs/dbraw/zinc/82/17/12/528821712.db2.gz ZAPNZIQBZHPIMT-UHFFFAOYSA-N -1 3 289.470 3.265 20 0 CGADHM CCCC[C@H](CC)CNC(=O)c1ccc([O-])c(OC)c1 ZINC000436636020 528912831 /nfs/dbraw/zinc/91/28/31/528912831.db2.gz PDWMXVPDFBUYTH-LBPRGKRZSA-N -1 3 279.380 3.347 20 0 CGADHM CCN(Cc1occc1C)C(=O)c1cc(C)ccc1[O-] ZINC000412801226 528913702 /nfs/dbraw/zinc/91/37/02/528913702.db2.gz WLGFZYMVEJETBZ-UHFFFAOYSA-N -1 3 273.332 3.264 20 0 CGADHM CC(C)[C@H](C(=O)[O-])[C@@H](C)NCc1ccc(Cl)cc1F ZINC000424623756 528930970 /nfs/dbraw/zinc/93/09/70/528930970.db2.gz QAGOJFSQHHEERY-RNCFNFMXSA-N -1 3 287.762 3.314 20 0 CGADHM CCN(C(=O)c1ccc(O)cc1[O-])[C@@H]1CCCC[C@@H]1C ZINC000171242857 529085022 /nfs/dbraw/zinc/08/50/22/529085022.db2.gz AQAIWQKLILIPGO-SMDDNHRTSA-N -1 3 277.364 3.139 20 0 CGADHM CC[C@@H](NCc1cc(Cl)ccc1OCC1CC1)C(=O)[O-] ZINC000417579014 529181602 /nfs/dbraw/zinc/18/16/02/529181602.db2.gz OUJGYTJENUHVRP-CYBMUJFWSA-N -1 3 297.782 3.082 20 0 CGADHM CC[C@H](C)c1ncc(NC(=O)c2ccc([O-])c(C)c2)cn1 ZINC000436918568 529280928 /nfs/dbraw/zinc/28/09/28/529280928.db2.gz HLIWGGZPWJPGDX-JTQLQIEISA-N -1 3 285.347 3.256 20 0 CGADHM CC[C@@H](C)CCC(=O)Nc1nnc(-c2ccc(C)o2)[n-]1 ZINC000354907437 529311461 /nfs/dbraw/zinc/31/14/61/529311461.db2.gz GJNYDHXMKBLZEG-SECBINFHSA-N -1 3 276.340 3.138 20 0 CGADHM CC[C@@H](C)CCC(=O)Nc1nc(-c2ccc(C)o2)n[n-]1 ZINC000354907437 529311462 /nfs/dbraw/zinc/31/14/62/529311462.db2.gz GJNYDHXMKBLZEG-SECBINFHSA-N -1 3 276.340 3.138 20 0 CGADHM CC[C@@H](C)CCC(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC000354907437 529311465 /nfs/dbraw/zinc/31/14/65/529311465.db2.gz GJNYDHXMKBLZEG-SECBINFHSA-N -1 3 276.340 3.138 20 0 CGADHM CC(C)Oc1cccc(/C=C/C(=O)[N-]OC2CCC2)c1 ZINC000493363175 535027119 /nfs/dbraw/zinc/02/71/19/535027119.db2.gz YRSYMRIPDKZWIV-MDZDMXLPSA-N -1 3 275.348 3.087 20 0 CGADHM CC(C)(CNCc1cc(Cl)sc1Cl)C(=O)[O-] ZINC000312667265 535146058 /nfs/dbraw/zinc/14/60/58/535146058.db2.gz HLBGYUPWLNOTBG-UHFFFAOYSA-N -1 3 282.192 3.255 20 0 CGADHM CCc1[n-][nH]c(=NC(=O)c2cc3cccc(C)c3s2)c1C ZINC000514972871 535983717 /nfs/dbraw/zinc/98/37/17/535983717.db2.gz MRVKUENHNBKZGS-UHFFFAOYSA-N -1 3 299.399 3.478 20 0 CGADHM CC[C@H]1CCC[C@@H]1CNC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000456046293 536072999 /nfs/dbraw/zinc/07/29/99/536072999.db2.gz PAPMXEYSBVPSGV-QWHCGFSZSA-N -1 3 298.386 3.084 20 0 CGADHM CC[C@H]1CC[C@H](NC(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC000458416228 536098219 /nfs/dbraw/zinc/09/82/19/536098219.db2.gz MILYCOUJAKRHMB-AULYBMBSSA-N -1 3 294.370 3.299 20 0 CGADHM CCc1cc(C(=O)NCCC2=CCCC2)ccc1[O-] ZINC000486942291 536119360 /nfs/dbraw/zinc/11/93/60/536119360.db2.gz LTKMLTNAZIRURP-UHFFFAOYSA-N -1 3 259.349 3.185 20 0 CGADHM CCc1cc(C(=O)N[C@@H]2C[C@H]2c2cccc(F)c2)ccc1[O-] ZINC000486138438 536128082 /nfs/dbraw/zinc/12/80/82/536128082.db2.gz PSLFAGVSISBUNC-JKSUJKDBSA-N -1 3 299.345 3.380 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CC[C@@H](CC3CC3)C2)c1 ZINC000518427246 536190953 /nfs/dbraw/zinc/19/09/53/536190953.db2.gz WYQDJMSMMRQAOF-AWEZNQCLSA-N -1 3 273.376 3.217 20 0 CGADHM COc1ccccc1Oc1nc2ccccc2c(=O)[n-]1 ZINC000750530270 571772749 /nfs/dbraw/zinc/77/27/49/571772749.db2.gz ITJZAUZHXWSDAF-UHFFFAOYSA-N -1 3 268.272 3.136 20 0 CGADHM CCCCCC[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000728576648 571812159 /nfs/dbraw/zinc/81/21/59/571812159.db2.gz NUKJFVGXKDXMLF-UHFFFAOYSA-N -1 3 293.791 3.338 20 0 CGADHM Cc1ccc(NC(=O)c2cn[n-]c2-c2ccsc2)cc1O ZINC000357694257 571837038 /nfs/dbraw/zinc/83/70/38/571837038.db2.gz HPAOVGYMLUNZBE-UHFFFAOYSA-N -1 3 299.355 3.405 20 0 CGADHM Cc1ccc(NC(=O)c2c[n-]nc2-c2ccsc2)cc1O ZINC000357694257 571837042 /nfs/dbraw/zinc/83/70/42/571837042.db2.gz HPAOVGYMLUNZBE-UHFFFAOYSA-N -1 3 299.355 3.405 20 0 CGADHM CCN(C(=O)c1cc2occc2[n-]1)c1ccccc1OC ZINC000750857278 572329985 /nfs/dbraw/zinc/32/99/85/572329985.db2.gz UEMAGMJGGMBUOY-UHFFFAOYSA-N -1 3 284.315 3.436 20 0 CGADHM Cc1ccccc1CNc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000737428485 572341007 /nfs/dbraw/zinc/34/10/07/572341007.db2.gz QDVCJVDATPSXHI-UHFFFAOYSA-N -1 3 299.765 3.441 20 0 CGADHM Cc1ccccc1CNc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000737428485 572341009 /nfs/dbraw/zinc/34/10/09/572341009.db2.gz QDVCJVDATPSXHI-UHFFFAOYSA-N -1 3 299.765 3.441 20 0 CGADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)C1CCCCCCC1 ZINC000738178567 572365722 /nfs/dbraw/zinc/36/57/22/572365722.db2.gz WCCSEUJOAYITLZ-UHFFFAOYSA-N -1 3 299.378 3.166 20 0 CGADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)C1CCCCCCC1 ZINC000738178567 572365727 /nfs/dbraw/zinc/36/57/27/572365727.db2.gz WCCSEUJOAYITLZ-UHFFFAOYSA-N -1 3 299.378 3.166 20 0 CGADHM c1ccc2c(c1)CC[C@H]2CNc1ccc(-c2nnn[n-]2)cc1 ZINC000738435867 572375655 /nfs/dbraw/zinc/37/56/55/572375655.db2.gz CUTMNVFUDXZQQN-AWEZNQCLSA-N -1 3 291.358 3.009 20 0 CGADHM c1ccc2c(c1)CC[C@H]2CNc1ccc(-c2nn[n-]n2)cc1 ZINC000738435867 572375658 /nfs/dbraw/zinc/37/56/58/572375658.db2.gz CUTMNVFUDXZQQN-AWEZNQCLSA-N -1 3 291.358 3.009 20 0 CGADHM O=C([O-])c1ccoc1CN1CC[C@@H](c2ccccc2F)C1 ZINC000740248490 572437864 /nfs/dbraw/zinc/43/78/64/572437864.db2.gz ATXUOHOZYOXGSW-LLVKDONJSA-N -1 3 289.306 3.106 20 0 CGADHM CC[C@H](c1ccc(F)cc1)N1CCC[C@@H](CNC(=O)[O-])C1 ZINC000739278851 572540358 /nfs/dbraw/zinc/54/03/58/572540358.db2.gz OIWNTMJUKRXNDL-SWLSCSKDSA-N -1 3 294.370 3.256 20 0 CGADHM [O-]c1ccc(CNC[C@@H](O)c2cccc(F)c2)cc1Cl ZINC000733325905 572556483 /nfs/dbraw/zinc/55/64/83/572556483.db2.gz XIGZFABHYLQRRU-OAHLLOKOSA-N -1 3 295.741 3.008 20 0 CGADHM O=C(OCc1ccnc(Cl)c1)c1ccc(Cl)cc1[O-] ZINC000726198091 572564584 /nfs/dbraw/zinc/56/45/84/572564584.db2.gz FZYGETGKIFMRBN-UHFFFAOYSA-N -1 3 298.125 3.451 20 0 CGADHM CCc1ccc(COC(=O)c2ccc([O-])cc2)cc1 ZINC000735333695 572715016 /nfs/dbraw/zinc/71/50/16/572715016.db2.gz KZGOABFWCIZALS-UHFFFAOYSA-N -1 3 256.301 3.312 20 0 CGADHM CC(C)CC[C@@H](C)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC000735796838 572742140 /nfs/dbraw/zinc/74/21/40/572742140.db2.gz IOMUELLDERDHQH-SECBINFHSA-N -1 3 294.790 3.152 20 0 CGADHM CC(C)CC[C@@H](C)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC000735796838 572742141 /nfs/dbraw/zinc/74/21/41/572742141.db2.gz IOMUELLDERDHQH-SECBINFHSA-N -1 3 294.790 3.152 20 0 CGADHM Cc1cccc(N(C)C(=O)c2cc(Cl)c(Cl)[n-]2)n1 ZINC000736117374 572769026 /nfs/dbraw/zinc/76/90/26/572769026.db2.gz NIEIQMMLXDMMKG-UHFFFAOYSA-N -1 3 284.146 3.302 20 0 CGADHM O=C(OCC1CCC1)c1cccc(Br)c1[O-] ZINC000744977737 572786351 /nfs/dbraw/zinc/78/63/51/572786351.db2.gz NQSXPQYFFMYFQU-UHFFFAOYSA-N -1 3 285.137 3.112 20 0 CGADHM CCCCCCN(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC000736983928 572833114 /nfs/dbraw/zinc/83/31/14/572833114.db2.gz REYSYYFNDOCXBF-UHFFFAOYSA-N -1 3 253.342 3.298 20 0 CGADHM Cc1cc(C)cc([C@@H](C)Nc2ncccc2-c2nnn[n-]2)c1 ZINC000737253837 572868388 /nfs/dbraw/zinc/86/83/88/572868388.db2.gz TYBWMYDDRUIYFF-GFCCVEGCSA-N -1 3 294.362 3.052 20 0 CGADHM Cc1cc(C)cc([C@@H](C)Nc2ncccc2-c2nn[n-]n2)c1 ZINC000737253837 572868391 /nfs/dbraw/zinc/86/83/91/572868391.db2.gz TYBWMYDDRUIYFF-GFCCVEGCSA-N -1 3 294.362 3.052 20 0 CGADHM O=C1[N-]C(=O)/C(=C\C=C\c2ccc(F)cc2)c2ccccc21 ZINC000747696698 572941894 /nfs/dbraw/zinc/94/18/94/572941894.db2.gz SOVPFLHYPPIOCJ-DORXXBADSA-N -1 3 293.297 3.193 20 0 CGADHM Cc1ccccc1[C@@H]([N-]C(=O)C(F)(F)C(F)F)C1CC1 ZINC000749389996 572996758 /nfs/dbraw/zinc/99/67/58/572996758.db2.gz JCIVDBIBSIMLJV-NSHDSACASA-N -1 3 289.272 3.463 20 0 CGADHM CC(C)CO[N-]C(=O)CCc1ccc(C(C)C)cc1 ZINC000750025096 573074733 /nfs/dbraw/zinc/07/47/33/573074733.db2.gz ZSYCJMZIGOBRPQ-UHFFFAOYSA-N -1 3 263.381 3.446 20 0 CGADHM FC(F)(F)CCSCc1ccccc1-c1nnn[n-]1 ZINC000737628986 599010254 /nfs/dbraw/zinc/01/02/54/599010254.db2.gz YXZBQKFXUZJUSH-UHFFFAOYSA-N -1 3 288.298 3.052 20 0 CGADHM FC(F)(F)CCSCc1ccccc1-c1nn[n-]n1 ZINC000737628986 599010255 /nfs/dbraw/zinc/01/02/55/599010255.db2.gz YXZBQKFXUZJUSH-UHFFFAOYSA-N -1 3 288.298 3.052 20 0 CGADHM CC(C)[C@@H](C)SCCOc1ccccc1-c1nnn[n-]1 ZINC000820020941 599130128 /nfs/dbraw/zinc/13/01/28/599130128.db2.gz MZQUEWYMZYNUAT-LLVKDONJSA-N -1 3 292.408 3.023 20 0 CGADHM CC(C)[C@@H](C)SCCOc1ccccc1-c1nn[n-]n1 ZINC000820020941 599130131 /nfs/dbraw/zinc/13/01/31/599130131.db2.gz MZQUEWYMZYNUAT-LLVKDONJSA-N -1 3 292.408 3.023 20 0 CGADHM Cc1c(NC(=O)CC2CCCCC2)cccc1-c1nnn[n-]1 ZINC000822067551 607269599 /nfs/dbraw/zinc/26/95/99/607269599.db2.gz KWBSXDQASVOCGF-UHFFFAOYSA-N -1 3 299.378 3.084 20 0 CGADHM Cc1c(NC(=O)CC2CCCCC2)cccc1-c1nn[n-]n1 ZINC000822067551 607269600 /nfs/dbraw/zinc/26/96/00/607269600.db2.gz KWBSXDQASVOCGF-UHFFFAOYSA-N -1 3 299.378 3.084 20 0 CGADHM CN(CC1CCCC1)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000736795054 598794406 /nfs/dbraw/zinc/79/44/06/598794406.db2.gz VQLBQRXWEQLCKF-UHFFFAOYSA-N -1 3 291.786 3.147 20 0 CGADHM CN(CC1CCCC1)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000736795054 598794408 /nfs/dbraw/zinc/79/44/08/598794408.db2.gz VQLBQRXWEQLCKF-UHFFFAOYSA-N -1 3 291.786 3.147 20 0 CGADHM Cc1cccc(C)c1COc1cccc(-c2nnn[n-]2)c1 ZINC000115621442 599517535 /nfs/dbraw/zinc/51/75/35/599517535.db2.gz MQPHXULSDFCNPQ-UHFFFAOYSA-N -1 3 280.331 3.063 20 0 CGADHM Cc1cccc(C)c1COc1cccc(-c2nn[n-]n2)c1 ZINC000115621442 599517540 /nfs/dbraw/zinc/51/75/40/599517540.db2.gz MQPHXULSDFCNPQ-UHFFFAOYSA-N -1 3 280.331 3.063 20 0 CGADHM C[C@H](Nc1ccc(-c2nn[n-]n2)cc1)C1CCCCC1 ZINC000820455488 599577497 /nfs/dbraw/zinc/57/74/97/599577497.db2.gz IUQSWQVMPAHCJC-NSHDSACASA-N -1 3 271.368 3.247 20 0 CGADHM CCc1ccc([C@H]2CCCCN2C/C=C(\C)C(=O)[O-])o1 ZINC000830238043 601172558 /nfs/dbraw/zinc/17/25/58/601172558.db2.gz NXYATRJTNNCYOX-BRADTZPFSA-N -1 3 277.364 3.400 20 0 CGADHM CCc1nc(C)c([C@H](C)N(C)C/C=C(\C)C(=O)[O-])s1 ZINC000830309608 601172596 /nfs/dbraw/zinc/17/25/96/601172596.db2.gz KPZHCTOGABUDBO-DJYGCBNOSA-N -1 3 282.409 3.038 20 0 CGADHM C/C(=C\CN1CCCC[C@H]1c1ccc(F)cc1)C(=O)[O-] ZINC000825740876 601451871 /nfs/dbraw/zinc/45/18/71/601451871.db2.gz CPZWENZNBHJGES-RZXPCSSPSA-N -1 3 277.339 3.384 20 0 CGADHM O=C([O-])[C@@H]1c2ccccc2CCN1Cc1ccc(F)cc1 ZINC000043594047 601540977 /nfs/dbraw/zinc/54/09/77/601540977.db2.gz CANFLLFTBWWIAC-INIZCTEOSA-N -1 3 285.318 3.010 20 0 CGADHM CN(Cc1ccccc1)Cc1ccc(C(=O)[O-])c(F)c1 ZINC000234293709 601612635 /nfs/dbraw/zinc/61/26/35/601612635.db2.gz DQGVHOIYAUDBBB-UHFFFAOYSA-N -1 3 273.307 3.156 20 0 CGADHM CCCCc1nc(CN[C@@H](C(=O)[O-])C(C)(C)C)cs1 ZINC000829441671 601873316 /nfs/dbraw/zinc/87/33/16/601873316.db2.gz WXFJYCIPMKLLSR-LBPRGKRZSA-N -1 3 284.425 3.075 20 0 CGADHM COc1ccc(CS[C@@H](C)C(C)C)cc1-c1nnn[n-]1 ZINC000826207601 607550992 /nfs/dbraw/zinc/55/09/92/607550992.db2.gz VBCWTTILOQATPQ-JTQLQIEISA-N -1 3 292.408 3.153 20 0 CGADHM COc1ccc(CS[C@@H](C)C(C)C)cc1-c1nn[n-]n1 ZINC000826207601 607550993 /nfs/dbraw/zinc/55/09/93/607550993.db2.gz VBCWTTILOQATPQ-JTQLQIEISA-N -1 3 292.408 3.153 20 0 CGADHM Cc1ccc([C@@H](C)NCc2ccc(NC(=O)[O-])nc2)cc1 ZINC000830257115 603539072 /nfs/dbraw/zinc/53/90/72/603539072.db2.gz RNWIBBFZDPUKEX-GFCCVEGCSA-N -1 3 285.347 3.331 20 0 CGADHM C[C@H](N[C@H]1CCCN(C(=O)[O-])C1)c1ccc2ccccc2n1 ZINC000825478537 604330107 /nfs/dbraw/zinc/33/01/07/604330107.db2.gz HPXGWMUNUFCHAR-JSGCOSHPSA-N -1 3 299.374 3.028 20 0 CGADHM O=C([O-])CCCN1CCCC[C@@H]1c1ccc(F)cc1F ZINC000833227057 604453562 /nfs/dbraw/zinc/45/35/62/604453562.db2.gz DVOBMJHVVWWORW-CQSZACIVSA-N -1 3 283.318 3.357 20 0 CGADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2ccnc(Cl)c2)C1 ZINC000833420540 604931483 /nfs/dbraw/zinc/93/14/83/604931483.db2.gz UGEMHYDAEZQYLB-GFCCVEGCSA-N -1 3 296.798 3.058 20 0 CGADHM O=C([O-])[C@H](NCc1cccc2ccccc21)c1cccnc1 ZINC000833170518 604998731 /nfs/dbraw/zinc/99/87/31/604998731.db2.gz WTZBURLLWUHNMM-QGZVFWFLSA-N -1 3 292.338 3.150 20 0 CGADHM CC(C)c1ccc(CNCc2ccc(C(=O)[O-])[nH]2)cc1 ZINC000833509814 605114868 /nfs/dbraw/zinc/11/48/68/605114868.db2.gz GNSLGWVZJYHIBQ-UHFFFAOYSA-N -1 3 272.348 3.126 20 0 CGADHM CCc1cnccc1[C@@H](C)NCc1ccc(C(=O)[O-])s1 ZINC000833672336 605270340 /nfs/dbraw/zinc/27/03/40/605270340.db2.gz ABOSPCPFBCJNSU-SNVBAGLBSA-N -1 3 290.388 3.255 20 0 CGADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2ccc(Cl)cn2)C1 ZINC000703858059 605381384 /nfs/dbraw/zinc/38/13/84/605381384.db2.gz KHYNSYNEHARONM-LLVKDONJSA-N -1 3 296.798 3.058 20 0 CGADHM Cc1ccc(C)c(CNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000049670229 606659471 /nfs/dbraw/zinc/65/94/71/606659471.db2.gz GAMXYDWKLTZETM-UHFFFAOYSA-N -1 3 279.347 3.096 20 0 CGADHM Cc1ccc(C)c(CNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000049670229 606659472 /nfs/dbraw/zinc/65/94/72/606659472.db2.gz GAMXYDWKLTZETM-UHFFFAOYSA-N -1 3 279.347 3.096 20 0 CGADHM CC(C)(C)SCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000819951260 606865156 /nfs/dbraw/zinc/86/51/56/606865156.db2.gz QHEQQGPBZNDQHD-UHFFFAOYSA-N -1 3 292.408 3.167 20 0 CGADHM CC(C)(C)SCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000819951260 606865157 /nfs/dbraw/zinc/86/51/57/606865157.db2.gz QHEQQGPBZNDQHD-UHFFFAOYSA-N -1 3 292.408 3.167 20 0 CGADHM C[C@H](SCCCF)c1ccc(-c2nnn[n-]2)cc1 ZINC000820548614 606987208 /nfs/dbraw/zinc/98/72/08/606987208.db2.gz DDJBTEIMAAQIMZ-VIFPVBQESA-N -1 3 266.345 3.021 20 0 CGADHM C[C@H](SCCCF)c1ccc(-c2nn[n-]n2)cc1 ZINC000820548614 606987209 /nfs/dbraw/zinc/98/72/09/606987209.db2.gz DDJBTEIMAAQIMZ-VIFPVBQESA-N -1 3 266.345 3.021 20 0 CGADHM Fc1ccc(CSCc2ccco2)cc1-c1nnn[n-]1 ZINC000822773968 607005887 /nfs/dbraw/zinc/00/58/87/607005887.db2.gz CPIYKEYWWJERGY-UHFFFAOYSA-N -1 3 290.323 3.032 20 0 CGADHM Fc1ccc(CSCc2ccco2)cc1-c1nn[n-]n1 ZINC000822773968 607005889 /nfs/dbraw/zinc/00/58/89/607005889.db2.gz CPIYKEYWWJERGY-UHFFFAOYSA-N -1 3 290.323 3.032 20 0 CGADHM C(=Cc1ccccc1-c1nnn[n-]1)c1nc2ccccc2o1 ZINC000823861896 607883194 /nfs/dbraw/zinc/88/31/94/607883194.db2.gz SJEONAQGVAHEHX-MDZDMXLPSA-N -1 3 289.298 3.178 20 0 CGADHM C(=Cc1ccccc1-c1nn[n-]n1)c1nc2ccccc2o1 ZINC000823861896 607883195 /nfs/dbraw/zinc/88/31/95/607883195.db2.gz SJEONAQGVAHEHX-MDZDMXLPSA-N -1 3 289.298 3.178 20 0 CGADHM Cc1ccccc1N[C@@H](C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826307817 609156822 /nfs/dbraw/zinc/15/68/22/609156822.db2.gz XJOOZIZUXLRCEH-NSHDSACASA-N -1 3 297.337 3.487 20 0 CGADHM Cc1ccccc1N[C@@H](C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826307817 609156824 /nfs/dbraw/zinc/15/68/24/609156824.db2.gz XJOOZIZUXLRCEH-NSHDSACASA-N -1 3 297.337 3.487 20 0 CGADHM Cc1cc(=O)[n-]c(CSc2ccccc2Cl)n1 ZINC000090234206 617612000 /nfs/dbraw/zinc/61/20/00/617612000.db2.gz CPBWJTIIWZNTFB-UHFFFAOYSA-N -1 3 266.753 3.024 20 0 CGADHM CCN(CCc1ccccc1)C(=O)c1c([O-])cccc1OC ZINC000900141356 620765578 /nfs/dbraw/zinc/76/55/78/620765578.db2.gz MYPHJSLZDZFFMD-UHFFFAOYSA-N -1 3 299.370 3.106 20 0 CGADHM Cc1ccc(CC(=O)[N-]OCc2cccc(F)c2F)cc1 ZINC000177579169 617934424 /nfs/dbraw/zinc/93/44/24/617934424.db2.gz QQJHVZFAOSFHLV-UHFFFAOYSA-N -1 3 291.297 3.064 20 0 CGADHM CC(C)(C)c1cc(C(=O)[N-]c2ccnc(Cl)c2F)no1 ZINC000891508905 618234012 /nfs/dbraw/zinc/23/40/12/618234012.db2.gz QLKXSVFCJIPMGY-UHFFFAOYSA-N -1 3 297.717 3.412 20 0 CGADHM O=C([N-]c1noc2c1CCCC2)c1ccc(Cl)o1 ZINC000900775290 620810843 /nfs/dbraw/zinc/81/08/43/620810843.db2.gz CCQHSOVCZXWZQP-UHFFFAOYSA-N -1 3 266.684 3.052 20 0 CGADHM Cc1ccc(CC(=O)[N-]OCCC(F)(F)F)cc1Cl ZINC000935502609 618815803 /nfs/dbraw/zinc/81/58/03/618815803.db2.gz XHZAEDHVTLSFPO-UHFFFAOYSA-N -1 3 295.688 3.191 20 0 CGADHM CCN(Cc1ccoc1)Cc1cc(=O)oc2cc([O-])ccc12 ZINC000153543793 618820891 /nfs/dbraw/zinc/82/08/91/618820891.db2.gz PDXKSDKGMCEPSJ-UHFFFAOYSA-N -1 3 299.326 3.114 20 0 CGADHM Cc1cc(CNCCSc2ccccc2)oc1C(=O)[O-] ZINC000235823294 618827415 /nfs/dbraw/zinc/82/74/15/618827415.db2.gz WKIMPKGOGHWEHZ-UHFFFAOYSA-N -1 3 291.372 3.168 20 0 CGADHM O=C(OCCCCF)c1cccc2[n-]c(C(F)F)nc21 ZINC000924085610 618934700 /nfs/dbraw/zinc/93/47/00/618934700.db2.gz MQINAQLIGDAOBB-UHFFFAOYSA-N -1 3 286.253 3.407 20 0 CGADHM O=C([O-])CCN1CCc2ccccc2[C@@H]1Cc1ccccc1 ZINC000262044593 619571406 /nfs/dbraw/zinc/57/14/06/619571406.db2.gz SZORZSZVSHGRIQ-SFHVURJKSA-N -1 3 295.382 3.303 20 0 CGADHM CC(C)(C)c1nnc([N-][C@@H]2c3ccccc3OC[C@@H]2F)o1 ZINC000895555948 619849759 /nfs/dbraw/zinc/84/97/59/619849759.db2.gz RKKJYZITIZQZKX-CMPLNLGQSA-N -1 3 291.326 3.251 20 0 CGADHM C[C@@H](OCC(F)(F)F)c1noc(-c2ccccc2[O-])n1 ZINC000896606477 620036608 /nfs/dbraw/zinc/03/66/08/620036608.db2.gz LMVMAPLFLGBBGC-SSDOTTSWSA-N -1 3 288.225 3.082 20 0 CGADHM CC(C)(C)CCCCC(=O)[N-]OCc1ccccn1 ZINC000909541769 620079933 /nfs/dbraw/zinc/07/99/33/620079933.db2.gz NLBQYIINNHGEAX-UHFFFAOYSA-N -1 3 264.369 3.236 20 0 CGADHM Cc1nc(COC(=O)c2cc(F)cc(Cl)c2[O-])oc1C ZINC000751735486 620216682 /nfs/dbraw/zinc/21/66/82/620216682.db2.gz SURKUFJZMLCIFX-UHFFFAOYSA-N -1 3 299.685 3.147 20 0 CGADHM C[C@H](OC(=O)c1cc2sccc2c([O-])c1)C(=O)C1CC1 ZINC000798660672 620283574 /nfs/dbraw/zinc/28/35/74/620283574.db2.gz LSPVWECQTZDMEH-QMMMGPOBSA-N -1 3 290.340 3.131 20 0 CGADHM CCCCCC(C)(C)C(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898216137 620488986 /nfs/dbraw/zinc/48/89/86/620488986.db2.gz NLPQTSCUYXFCQK-GFCCVEGCSA-N -1 3 293.411 3.038 20 0 CGADHM C/C(=C\C(C)(C)C)C(=O)Nc1cccc([O-])c1F ZINC000185783169 625438007 /nfs/dbraw/zinc/43/80/07/625438007.db2.gz LIQGLFQPQRDUMT-CMDGGOBGSA-N -1 3 251.301 3.462 20 0 CGADHM C/C(=C(/F)C(=O)Nc1cccc([O-])c1F)C1CC1 ZINC000901241971 620845711 /nfs/dbraw/zinc/84/57/11/620845711.db2.gz CSKGGAJQAFXFIH-XFFZJAGNSA-N -1 3 253.248 3.123 20 0 CGADHM CCc1cc(=O)[n-]c(CSCc2ccsc2)n1 ZINC000901768637 621017707 /nfs/dbraw/zinc/01/77/07/621017707.db2.gz DJHOFGIATXECPR-UHFFFAOYSA-N -1 3 266.391 3.240 20 0 CGADHM CCC[C@@H](CC)S(=O)(=O)[N-]c1cnn(C2CCCC2)c1 ZINC000901765029 621025027 /nfs/dbraw/zinc/02/50/27/621025027.db2.gz BBLKQQPEZYVVMV-CQSZACIVSA-N -1 3 299.440 3.319 20 0 CGADHM Cc1ccc(CN2CC3(CCC3)[C@](F)(C(=O)[O-])C2)cc1C ZINC000901915017 621062405 /nfs/dbraw/zinc/06/24/05/621062405.db2.gz LMTNMKDGPYDRAD-QGZVFWFLSA-N -1 3 291.366 3.082 20 0 CGADHM C[C@H](CCC(F)(F)F)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC000901908028 621065873 /nfs/dbraw/zinc/06/58/73/621065873.db2.gz MVBRAMBWFDWWNA-RQJHMYQMSA-N -1 3 296.314 3.223 20 0 CGADHM C[C@H](N[C@@H]1CC[C@H]1C1CCC1)c1ncc(C(=O)[O-])s1 ZINC000901907953 621066181 /nfs/dbraw/zinc/06/61/81/621066181.db2.gz LSIWKZSCITUUKR-INTQDDNPSA-N -1 3 280.393 3.071 20 0 CGADHM Cc1occc1CN1C[C@H](C2CCCCC2)C[C@H]1C(=O)[O-] ZINC000902048479 621116965 /nfs/dbraw/zinc/11/69/65/621116965.db2.gz WKSPLEBORRPVLX-CVEARBPZSA-N -1 3 291.391 3.443 20 0 CGADHM COc1cc(CNCc2cc(C(=O)[O-])cs2)ccc1C ZINC000902168863 621182063 /nfs/dbraw/zinc/18/20/63/621182063.db2.gz PAFGMXOXAPBBDC-UHFFFAOYSA-N -1 3 291.372 3.053 20 0 CGADHM O=C([O-])CC1CCC(N[C@H](CF)c2ccc(F)cc2)CC1 ZINC000902192495 621190279 /nfs/dbraw/zinc/19/02/79/621190279.db2.gz YECVFQDYGORDBH-WDIPEOLASA-N -1 3 297.345 3.459 20 0 CGADHM Cc1oc(C(=O)[O-])cc1CN[C@@H]1CCc2c1cccc2C ZINC000902231785 621204593 /nfs/dbraw/zinc/20/45/93/621204593.db2.gz RWGJMIFTFHPITI-OAHLLOKOSA-N -1 3 285.343 3.372 20 0 CGADHM CC1(C)C[C@@H](NCc2ccc(C(=O)[O-])o2)c2ccccc21 ZINC000902264252 621217726 /nfs/dbraw/zinc/21/77/26/621217726.db2.gz WKHZMJJNSAXFGU-CQSZACIVSA-N -1 3 285.343 3.490 20 0 CGADHM COc1cccc(CNCc2cc(C(=O)[O-])cs2)c1C ZINC000902296126 621242451 /nfs/dbraw/zinc/24/24/51/621242451.db2.gz FROSXWFGQNMXGP-UHFFFAOYSA-N -1 3 291.372 3.053 20 0 CGADHM O=C([O-])c1coc(CN[C@H]2C[C@H](c3ccccc3F)C2)c1 ZINC000902454187 621332763 /nfs/dbraw/zinc/33/27/63/621332763.db2.gz WAEPVDNSCXXZSQ-UMSPYCQHSA-N -1 3 289.306 3.153 20 0 CGADHM CCOc1ccc(CNCc2ccc([O-])c(Cl)c2)o1 ZINC000902640476 621391090 /nfs/dbraw/zinc/39/10/90/621391090.db2.gz APTGTKQGGWPOTM-UHFFFAOYSA-N -1 3 281.739 3.327 20 0 CGADHM C[C@@H](N[C@H](C)c1cccc([O-])c1F)c1cncs1 ZINC000903304660 621679235 /nfs/dbraw/zinc/67/92/35/621679235.db2.gz BKZFBRUJAKFSOS-RKDXNWHRSA-N -1 3 266.341 3.400 20 0 CGADHM O=C([O-])c1ccc(CN[C@@H]2CCc3ccc(F)cc32)s1 ZINC000903677716 621787293 /nfs/dbraw/zinc/78/72/93/621787293.db2.gz ZZHNEWZROXIWLB-CYBMUJFWSA-N -1 3 291.347 3.363 20 0 CGADHM CC(C)n1cc([C@@H](C)NCc2ccc(C(=O)[O-])s2)cn1 ZINC000903678323 621787470 /nfs/dbraw/zinc/78/74/70/621787470.db2.gz LAOXHJDGIRVSMJ-SNVBAGLBSA-N -1 3 293.392 3.075 20 0 CGADHM O=C([O-])c1ccc(CN[C@H](c2ccccn2)C2CC2)s1 ZINC000903703383 621793437 /nfs/dbraw/zinc/79/34/37/621793437.db2.gz BCOZWNBLGPSYAH-AWEZNQCLSA-N -1 3 288.372 3.082 20 0 CGADHM CC[C@@H](CNCc1csc(-c2ccsc2)n1)C(=O)[O-] ZINC000903704884 621794103 /nfs/dbraw/zinc/79/41/03/621794103.db2.gz NOCHDSPYRPYOMV-VIFPVBQESA-N -1 3 296.417 3.072 20 0 CGADHM CN(CCC1CC1)Cc1occ(C(F)(F)F)c1C(=O)[O-] ZINC000903898329 621829032 /nfs/dbraw/zinc/82/90/32/621829032.db2.gz OZOFCKRUHTYYMR-UHFFFAOYSA-N -1 3 291.269 3.229 20 0 CGADHM CCc1ccccc1[C@@H](CC(=O)[O-])NCc1ccncc1C ZINC000904031772 621856077 /nfs/dbraw/zinc/85/60/77/621856077.db2.gz KDIUDSCPWMWJFA-QGZVFWFLSA-N -1 3 298.386 3.258 20 0 CGADHM CCc1cccc(C(=O)N2CC=CC23CCCC3)c1[O-] ZINC000913202719 622737656 /nfs/dbraw/zinc/73/76/56/622737656.db2.gz JKZQRXCBQJLOQX-UHFFFAOYSA-N -1 3 271.360 3.279 20 0 CGADHM CCC[C@@H]1CCC[C@H]1C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000913356561 622762320 /nfs/dbraw/zinc/76/23/20/622762320.db2.gz ABYHMCQZXBTAGD-VXGBXAGGSA-N -1 3 299.378 3.022 20 0 CGADHM CCC[C@@H]1CCC[C@H]1C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000913356561 622762332 /nfs/dbraw/zinc/76/23/32/622762332.db2.gz ABYHMCQZXBTAGD-VXGBXAGGSA-N -1 3 299.378 3.022 20 0 CGADHM O=C(CCSc1ccc(F)cc1)[N-]OCCC1CC1 ZINC000817441957 625611589 /nfs/dbraw/zinc/61/15/89/625611589.db2.gz RHIMWOIETZVVIW-UHFFFAOYSA-N -1 3 283.368 3.156 20 0 CGADHM Cc1ccc(-c2cc(C(=O)O[C@@H](C)c3cccnc3)n[n-]2)o1 ZINC000172180792 623231329 /nfs/dbraw/zinc/23/13/29/623231329.db2.gz GFCFWMNPCHKSTB-NSHDSACASA-N -1 3 297.314 3.291 20 0 CGADHM Cc1ccc(-c2cc(C(=O)O[C@@H](C)c3cccnc3)[n-]n2)o1 ZINC000172180792 623231338 /nfs/dbraw/zinc/23/13/38/623231338.db2.gz GFCFWMNPCHKSTB-NSHDSACASA-N -1 3 297.314 3.291 20 0 CGADHM COCCc1ccccc1NCc1ccc([O-])c(F)c1 ZINC000232423647 623388210 /nfs/dbraw/zinc/38/82/10/623388210.db2.gz CADJQHYSEXZTOQ-UHFFFAOYSA-N -1 3 275.323 3.332 20 0 CGADHM C/C(=C\c1cccc(Cl)c1)C(=O)[N-]OCC(F)F ZINC000760149203 623607770 /nfs/dbraw/zinc/60/77/70/623607770.db2.gz AGAPURFQIGFYAR-VMPITWQZSA-N -1 3 275.682 3.056 20 0 CGADHM O=C(CC/C=C/c1ccccc1)[N-]OCc1cccnc1 ZINC000152512615 623683513 /nfs/dbraw/zinc/68/35/13/623683513.db2.gz PTPXZCLQWKHKOE-RUDMXATFSA-N -1 3 282.343 3.123 20 0 CGADHM CC(C)CO[N-]C(=O)Cc1c[nH]c2ccc(Cl)cc12 ZINC000153372325 623863286 /nfs/dbraw/zinc/86/32/86/623863286.db2.gz DSJOKIBDGQHHPY-UHFFFAOYSA-N -1 3 280.755 3.068 20 0 CGADHM Cc1cc(CCCC(=O)[N-]OCC(C)C)c(C)s1 ZINC000153446497 623889511 /nfs/dbraw/zinc/88/95/11/623889511.db2.gz UXNJEYFGHHVLSS-UHFFFAOYSA-N -1 3 269.410 3.391 20 0 CGADHM COC(C)(C)COC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000835498099 623902973 /nfs/dbraw/zinc/90/29/73/623902973.db2.gz QVFHZGYUYFJMBB-UHFFFAOYSA-N -1 3 287.768 3.465 20 0 CGADHM C[C@@H]1CCCC[C@@H]1OCCOC(=O)c1ccc([O-])cc1 ZINC000915370305 623962986 /nfs/dbraw/zinc/96/29/86/623962986.db2.gz YBGMRTQAIUSKMS-DOMZBBRYSA-N -1 3 278.348 3.144 20 0 CGADHM Cc1ccc2c(CC(=O)[N-]OCC(C)C)coc2c1C ZINC000153621069 623994270 /nfs/dbraw/zinc/99/42/70/623994270.db2.gz HYMZNKUQZHCSPN-UHFFFAOYSA-N -1 3 275.348 3.296 20 0 CGADHM CCCCC[C@@H](C)NC(=O)c1c[n-]c2ccccc2c1=O ZINC000033015069 624209298 /nfs/dbraw/zinc/20/92/98/624209298.db2.gz MJILGACBTQXJRX-GFCCVEGCSA-N -1 3 286.375 3.227 20 0 CGADHM CC(C)c1ccc(C(=O)N[C@@H](C)Cc2ccco2)c([O-])c1 ZINC000917103015 624241006 /nfs/dbraw/zinc/24/10/06/624241006.db2.gz APICXKUHZMHNIW-LBPRGKRZSA-N -1 3 287.359 3.470 20 0 CGADHM Cc1nc(C)c(CSc2nc(C)c(C3CC3)c(=O)[n-]2)[nH]1 ZINC000918462884 624348223 /nfs/dbraw/zinc/34/82/23/624348223.db2.gz JOATVCKJYKVFFW-UHFFFAOYSA-N -1 3 290.392 3.000 20 0 CGADHM CC(C)[C@@H](NCc1ccc(C(=O)[O-])o1)c1ccccc1 ZINC000071380853 625084513 /nfs/dbraw/zinc/08/45/13/625084513.db2.gz FTRYJSAMZKLEIC-OAHLLOKOSA-N -1 3 273.332 3.465 20 0 CGADHM CCOCCO[N-]C(=O)C12CC3C[C@@](C)(C1)C[C@](C)(C3)C2 ZINC000184782271 625272705 /nfs/dbraw/zinc/27/27/05/625272705.db2.gz PNNFSFSWBVZHFT-JOHJCKIYSA-N -1 3 295.423 3.067 20 0 CGADHM CCc1cnc(NC(=O)[N-]OCc2ccc(F)cc2)s1 ZINC000186239518 625766425 /nfs/dbraw/zinc/76/64/25/625766425.db2.gz IBOZMURLIXDELQ-UHFFFAOYSA-N -1 3 295.339 3.098 20 0 CGADHM O=C([O-])[C@@H]1CN(C[C@H]2CC3CCC2CC3)Cc2ccccc21 ZINC000923254863 626140311 /nfs/dbraw/zinc/14/03/11/626140311.db2.gz FXVWZQXHSSPIGN-WOVHFWOGSA-N -1 3 299.414 3.497 20 0 CGADHM CSc1ccc(COC(=O)c2ccc([O-])cc2)cc1 ZINC000003508092 626191015 /nfs/dbraw/zinc/19/10/15/626191015.db2.gz MAZSRNDUSJYZAM-UHFFFAOYSA-N -1 3 274.341 3.471 20 0 CGADHM CCc1ccc(C(C)(C)C[N-]C(=O)C(F)(F)F)cc1 ZINC000751057551 626376133 /nfs/dbraw/zinc/37/61/33/626376133.db2.gz VOAYGAQBQFSRRL-UHFFFAOYSA-N -1 3 273.298 3.205 20 0 CGADHM CCc1cccc(C(=O)Nc2ccc(N(C)C)cc2)c1[O-] ZINC000751353920 626386052 /nfs/dbraw/zinc/38/60/52/626386052.db2.gz MHBMTEBPTGXHHL-UHFFFAOYSA-N -1 3 284.359 3.273 20 0 CGADHM O=c1ccnc(C=Cc2ccc(Cl)nc2Cl)[n-]1 ZINC000761477978 627044777 /nfs/dbraw/zinc/04/47/77/627044777.db2.gz CVGAAUNNQBRNGA-DUXPYHPUSA-N -1 3 268.103 3.054 20 0 CGADHM Cc1cc(=O)[n-]c(CS[C@@H]2CCc3ccccc32)n1 ZINC000761864062 627068240 /nfs/dbraw/zinc/06/82/40/627068240.db2.gz MRTCMEVCKXTXCK-CYBMUJFWSA-N -1 3 272.373 3.411 20 0 CGADHM CCc1noc(C)c1[N-]C(=O)c1nc(Cl)sc1C ZINC000762899234 627131451 /nfs/dbraw/zinc/13/14/51/627131451.db2.gz MTEJDBGCVUPEFT-UHFFFAOYSA-N -1 3 285.756 3.216 20 0 CGADHM Cc1cc(=O)[n-]c(CSCc2ccc3c(c2)CCC3)n1 ZINC000763217291 627145253 /nfs/dbraw/zinc/14/52/53/627145253.db2.gz SHWIWQIDMSDANK-UHFFFAOYSA-N -1 3 286.400 3.413 20 0 CGADHM Cc1cc(=O)[n-]c(CSCc2ccc3ccccc3n2)n1 ZINC000763214990 627145575 /nfs/dbraw/zinc/14/55/75/627145575.db2.gz HGBMSRYFAGOQDL-UHFFFAOYSA-N -1 3 297.383 3.472 20 0 CGADHM CCCOc1ccc(C=Cc2nccc(=O)[n-]2)cc1 ZINC000764441697 627208046 /nfs/dbraw/zinc/20/80/46/627208046.db2.gz JDWDENXYWTWWDA-YVMONPNESA-N -1 3 256.305 3.141 20 0 CGADHM O=C(CCC1CCCC1)COC(=O)c1ccc([O-])cc1 ZINC000764491257 627209660 /nfs/dbraw/zinc/20/96/60/627209660.db2.gz MPCHWZBHIVKTOE-UHFFFAOYSA-N -1 3 276.332 3.089 20 0 CGADHM Cc1ccc(-c2cc(C(=O)O[C@H](C)c3ccco3)n[n-]2)o1 ZINC000764794411 627224369 /nfs/dbraw/zinc/22/43/69/627224369.db2.gz NQLRHUQNEUXNOA-SNVBAGLBSA-N -1 3 286.287 3.489 20 0 CGADHM Cc1ccc(-c2cc(C(=O)O[C@H](C)c3ccco3)[n-]n2)o1 ZINC000764794411 627224371 /nfs/dbraw/zinc/22/43/71/627224371.db2.gz NQLRHUQNEUXNOA-SNVBAGLBSA-N -1 3 286.287 3.489 20 0 CGADHM Cc1ccc(/C=C2\C(=O)[N-]C(=O)c3ccccc32)cc1Cl ZINC000766492622 627337747 /nfs/dbraw/zinc/33/77/47/627337747.db2.gz VVTZWLAAEPYCBY-ZSOIEALJSA-N -1 3 297.741 3.459 20 0 CGADHM O=C(Cc1cccc2ccccc21)[N-]OCc1ccccn1 ZINC000767544942 627416498 /nfs/dbraw/zinc/41/64/98/627416498.db2.gz VFWLLBFXXXRSNS-UHFFFAOYSA-N -1 3 292.338 3.025 20 0 CGADHM O=c1ccnc(C=Cc2cccc(-c3cccnc3)c2)[n-]1 ZINC000768489929 627482741 /nfs/dbraw/zinc/48/27/41/627482741.db2.gz KCGSLPUATPNRKX-SREVYHEPSA-N -1 3 275.311 3.415 20 0 CGADHM CC(C)c1nsc([N-]C(=O)c2csc(C3CC3)n2)n1 ZINC000874696241 634595142 /nfs/dbraw/zinc/59/51/42/634595142.db2.gz DQDDYMWZUSNGRV-UHFFFAOYSA-N -1 3 294.405 3.248 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2cccc(OC)c2F)c1 ZINC000771517566 627716567 /nfs/dbraw/zinc/71/65/67/627716567.db2.gz BAAWWTLDYOAVLF-UHFFFAOYSA-N -1 3 289.306 3.355 20 0 CGADHM Cc1ccc(OCCCC(=O)[N-]OC2CCCC2)c(C)c1 ZINC000774866147 628043613 /nfs/dbraw/zinc/04/36/13/628043613.db2.gz NKSVLNWJFSLQLA-UHFFFAOYSA-N -1 3 291.391 3.453 20 0 CGADHM C[C@H](COC(=O)c1cccc(Cl)c1[O-])C(F)(F)F ZINC000775935171 628151286 /nfs/dbraw/zinc/15/12/86/628151286.db2.gz UQWVXHQPBOBQAN-ZCFIWIBFSA-N -1 3 282.645 3.401 20 0 CGADHM CC(C)(C)OCCCOC(=O)c1cccc(Cl)c1[O-] ZINC000775933984 628150478 /nfs/dbraw/zinc/15/04/78/628150478.db2.gz KSTBQIQCNZJICL-UHFFFAOYSA-N -1 3 286.755 3.408 20 0 CGADHM CC1(NC(=O)c2cc([O-])c3ccccc3c2)CC(F)(F)C1 ZINC000874852501 634633619 /nfs/dbraw/zinc/63/36/19/634633619.db2.gz ASIWSLBAHOIBMZ-UHFFFAOYSA-N -1 3 291.297 3.463 20 0 CGADHM CC(Cl)(Cl)C(=O)[N-][C@@H]1COc2ccc(Cl)cc21 ZINC000777028889 628245500 /nfs/dbraw/zinc/24/55/00/628245500.db2.gz UYVMXFADJIIZID-MRVPVSSYSA-N -1 3 294.565 3.084 20 0 CGADHM Cc1noc(C)c1[C@H](C)CC(=O)[N-]OC1CCCCC1 ZINC000777950671 628313876 /nfs/dbraw/zinc/31/38/76/628313876.db2.gz VHPWXPOMRJLNJQ-SNVBAGLBSA-N -1 3 280.368 3.166 20 0 CGADHM CCCCC[C@H](C)CC(=O)Nc1cc(C(=O)OCC)n[n-]1 ZINC000781431574 628560065 /nfs/dbraw/zinc/56/00/65/628560065.db2.gz XXZLBSOXLQNAKS-NSHDSACASA-N -1 3 295.383 3.131 20 0 CGADHM CCCCC[C@H](C)CC(=O)Nc1cc(C(=O)OCC)[n-]n1 ZINC000781431574 628560067 /nfs/dbraw/zinc/56/00/67/628560067.db2.gz XXZLBSOXLQNAKS-NSHDSACASA-N -1 3 295.383 3.131 20 0 CGADHM CC(C)(C)CC(=O)[N-]OCc1ccc(C(F)(F)F)cn1 ZINC000784714689 628830813 /nfs/dbraw/zinc/83/08/13/628830813.db2.gz LYCSXYOEVLLDHJ-UHFFFAOYSA-N -1 3 290.285 3.084 20 0 CGADHM CCc1ccc(C(=O)N2CCc3c(C)cccc3C2)c([O-])c1 ZINC000786897583 628968998 /nfs/dbraw/zinc/96/89/98/628968998.db2.gz YCVJUBUFWCYBQI-UHFFFAOYSA-N -1 3 295.382 3.462 20 0 CGADHM CCc1ccc(C(=O)N[C@@H](c2ccccn2)C(C)C)c([O-])c1 ZINC000787020757 628978414 /nfs/dbraw/zinc/97/84/14/628978414.db2.gz PYLRANWFSZZXLW-QGZVFWFLSA-N -1 3 298.386 3.477 20 0 CGADHM CC(C)OCCCNC(=O)c1cc2sccc2c([O-])c1 ZINC000788266110 629044108 /nfs/dbraw/zinc/04/41/08/629044108.db2.gz UDQDUXQEUKGOOF-UHFFFAOYSA-N -1 3 293.388 3.152 20 0 CGADHM Cc1cc(=O)[n-]c(CSCCCCOC(C)(C)C)n1 ZINC000788813574 629083980 /nfs/dbraw/zinc/08/39/80/629083980.db2.gz SNQFHLRPLZGDJR-UHFFFAOYSA-N -1 3 284.425 3.319 20 0 CGADHM O=C(COC(=O)c1ccc([O-])cc1)C1CCCCCC1 ZINC000788880355 629088279 /nfs/dbraw/zinc/08/82/79/629088279.db2.gz KSTLXGNNWTWCPF-UHFFFAOYSA-N -1 3 276.332 3.089 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])c1nc(Cl)cs1 ZINC000789993716 629178016 /nfs/dbraw/zinc/17/80/16/629178016.db2.gz CLOBWPHRHFWJKH-UHFFFAOYSA-N -1 3 289.143 3.408 20 0 CGADHM C[C@H]1CCN(C(=O)c2cc([O-])c3ccccc3c2)C[C@H]1F ZINC000792304263 629355420 /nfs/dbraw/zinc/35/54/20/629355420.db2.gz VUZINCWPHPJWFB-XHDPSFHLSA-N -1 3 287.334 3.366 20 0 CGADHM CC[C@H](C)CC[C@@H](O)CC(=O)Nc1cccc([O-])c1F ZINC000793747688 629499753 /nfs/dbraw/zinc/49/97/53/629499753.db2.gz YRJLJLQQMMPWCI-WDEREUQCSA-N -1 3 283.343 3.047 20 0 CGADHM CCCC(=CC(=O)Nc1cnc(C(=O)OCC)[n-]1)CCC ZINC000793964395 629508915 /nfs/dbraw/zinc/50/89/15/629508915.db2.gz SXKXSLBWRGFPFU-UHFFFAOYSA-N -1 3 293.367 3.052 20 0 CGADHM CCCC(=CC(=O)Nc1c[n-]c(C(=O)OCC)n1)CCC ZINC000793964395 629508923 /nfs/dbraw/zinc/50/89/23/629508923.db2.gz SXKXSLBWRGFPFU-UHFFFAOYSA-N -1 3 293.367 3.052 20 0 CGADHM CCOC(=O)c1ncc(NC(=O)CCCCCC(C)C)[n-]1 ZINC000793963895 629509198 /nfs/dbraw/zinc/50/91/98/629509198.db2.gz NDKQIANXDORBFX-UHFFFAOYSA-N -1 3 295.383 3.131 20 0 CGADHM CCOC(=O)c1nc(NC(=O)CCCCCC(C)C)c[n-]1 ZINC000793963895 629509203 /nfs/dbraw/zinc/50/92/03/629509203.db2.gz NDKQIANXDORBFX-UHFFFAOYSA-N -1 3 295.383 3.131 20 0 CGADHM CSCCO[N-]C(=O)C[C@@H](c1ccccc1)C(C)C ZINC000794181538 629520070 /nfs/dbraw/zinc/52/00/70/629520070.db2.gz VFRZBWRXAFDQFE-CQSZACIVSA-N -1 3 281.421 3.227 20 0 CGADHM CSCCO[N-]C(=O)C[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000794188353 629520255 /nfs/dbraw/zinc/52/02/55/629520255.db2.gz OTVVURHFQOFTBY-NEPJUHHUSA-N -1 3 273.442 3.250 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)CCCc1ccc(C)cc1 ZINC000794855344 629589395 /nfs/dbraw/zinc/58/93/95/629589395.db2.gz ZULCOXAIMLFROZ-ZDUSSCGKSA-N -1 3 263.381 3.412 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)CCc1cc(Cl)cs1 ZINC000794865100 629591389 /nfs/dbraw/zinc/59/13/89/629591389.db2.gz OHYGHHDQHDCZRC-VIFPVBQESA-N -1 3 275.801 3.428 20 0 CGADHM CCc1ccc(CC(=O)[N-]OCc2ccccc2OC)cc1 ZINC000799091440 630141106 /nfs/dbraw/zinc/14/11/06/630141106.db2.gz JLYLIQDDUWHYNZ-UHFFFAOYSA-N -1 3 299.370 3.048 20 0 CGADHM COc1ccccc1CO[N-]C(=O)Cc1cc(C)ccc1C ZINC000799092960 630142120 /nfs/dbraw/zinc/14/21/20/630142120.db2.gz HYIYEYNMISKHJC-UHFFFAOYSA-N -1 3 299.370 3.103 20 0 CGADHM COc1ccccc1CO[N-]C(=O)C[C@H]1CC[C@@H](C)C1 ZINC000799095759 630142135 /nfs/dbraw/zinc/14/21/35/630142135.db2.gz SOYQZTUMIBPOGF-OLZOCXBDSA-N -1 3 277.364 3.069 20 0 CGADHM CCC(CC)(CC)C(=O)[N-]OCc1ccccc1OC ZINC000799099640 630143099 /nfs/dbraw/zinc/14/30/99/630143099.db2.gz YLRHUGJKOFCMKH-UHFFFAOYSA-N -1 3 279.380 3.459 20 0 CGADHM CC(C)CO[N-]C(=O)CC(C)(C)CC(=O)c1ccccc1 ZINC000799422298 630180723 /nfs/dbraw/zinc/18/07/23/630180723.db2.gz CRGZJEDKQUNOND-UHFFFAOYSA-N -1 3 291.391 3.380 20 0 CGADHM O=C(Cc1cccc(Cl)c1F)[N-]OCc1ccccc1 ZINC000809996395 630826605 /nfs/dbraw/zinc/82/66/05/630826605.db2.gz ADXVVCLMDLZROY-UHFFFAOYSA-N -1 3 293.725 3.270 20 0 CGADHM O=C(OC[C@@H]1CCOC1)c1cc2cc(Cl)sc2[n-]1 ZINC000810544601 630890546 /nfs/dbraw/zinc/89/05/46/630890546.db2.gz YYMJHZWCRLUTNI-SSDOTTSWSA-N -1 3 285.752 3.076 20 0 CGADHM CON(CC(C)(C)C)C(=O)c1cc([O-])ccc1Cl ZINC000811526237 631083536 /nfs/dbraw/zinc/08/35/36/631083536.db2.gz YPFQUAXSCZOAGG-UHFFFAOYSA-N -1 3 271.744 3.095 20 0 CGADHM O=C(Cc1ccccc1C(F)(F)F)[N-]OC/C=C\Cl ZINC000812408828 631248290 /nfs/dbraw/zinc/24/82/90/631248290.db2.gz SRGFOTOGPGIFOO-UTCJRWHESA-N -1 3 293.672 3.048 20 0 CGADHM CON(Cc1ccc(Cl)cc1)C(=O)c1ccccc1[O-] ZINC000812799976 631315567 /nfs/dbraw/zinc/31/55/67/631315567.db2.gz JXKSWOYOIWCRAJ-UHFFFAOYSA-N -1 3 291.734 3.249 20 0 CGADHM Cc1ccc(-c2cc(C(=O)OCc3coc(C)c3)n[n-]2)o1 ZINC000816244184 631918747 /nfs/dbraw/zinc/91/87/47/631918747.db2.gz XLMNSLWKPWECOK-UHFFFAOYSA-N -1 3 286.287 3.237 20 0 CGADHM Cc1ccc(-c2cc(C(=O)OCc3coc(C)c3)[n-]n2)o1 ZINC000816244184 631918754 /nfs/dbraw/zinc/91/87/54/631918754.db2.gz XLMNSLWKPWECOK-UHFFFAOYSA-N -1 3 286.287 3.237 20 0 CGADHM [O-]c1ccc(F)c(CN2CCCCCCC2)c1F ZINC000816481401 631990430 /nfs/dbraw/zinc/99/04/30/631990430.db2.gz USSQHMCDORDGGZ-UHFFFAOYSA-N -1 3 255.308 3.437 20 0 CGADHM O=C([N-]c1nccs1)c1snc(Cl)c1Cl ZINC000816812560 632053648 /nfs/dbraw/zinc/05/36/48/632053648.db2.gz STHVVTGFAQCJKH-UHFFFAOYSA-N -1 3 280.161 3.159 20 0 CGADHM C[C@H](CC(=O)[N-]OCC1CC1)c1c[nH]c2ccccc21 ZINC000817354427 632130413 /nfs/dbraw/zinc/13/04/13/632130413.db2.gz MHBUKNPGVGDNKP-LLVKDONJSA-N -1 3 272.348 3.119 20 0 CGADHM O=C(CCSc1ccccc1Cl)[N-]OCC1CC1 ZINC000817367554 632132723 /nfs/dbraw/zinc/13/27/23/632132723.db2.gz FMJFCTBYJVSIEC-UHFFFAOYSA-N -1 3 285.796 3.280 20 0 CGADHM COc1cccc([C@H](C)CC(=O)[N-]OCCC2CC2)c1 ZINC000817441626 632159119 /nfs/dbraw/zinc/15/91/19/632159119.db2.gz JIUJDNKXJVIUEA-GFCCVEGCSA-N -1 3 277.364 3.037 20 0 CGADHM O=C(Cc1csc2ccccc12)[N-]OCCC1CC1 ZINC000817442204 632159517 /nfs/dbraw/zinc/15/95/17/632159517.db2.gz YBLKCCAYYQQTJZ-UHFFFAOYSA-N -1 3 275.373 3.292 20 0 CGADHM CCCCCN(C(=O)c1ccc(N)cc1[O-])C(C)C ZINC000817914869 632234607 /nfs/dbraw/zinc/23/46/07/632234607.db2.gz APSIGPMTXHNZCF-UHFFFAOYSA-N -1 3 264.369 3.015 20 0 CGADHM CC(C)(C)[C@H]1CCCN(C(=O)c2ccc(N)cc2[O-])CC1 ZINC000817940393 632240262 /nfs/dbraw/zinc/24/02/62/632240262.db2.gz MINTYJNXCPQGBY-LBPRGKRZSA-N -1 3 290.407 3.263 20 0 CGADHM CCCO[N-]C(=O)CC1CCC(C(F)(F)F)CC1 ZINC000844088249 635819782 /nfs/dbraw/zinc/81/97/82/635819782.db2.gz PUQOKVSUFPCHRS-UHFFFAOYSA-N -1 3 267.291 3.203 20 0 CGADHM CCCO[N-]C(=O)CCc1cccc(OC2CCCC2)c1 ZINC000844084178 635817028 /nfs/dbraw/zinc/81/70/28/635817028.db2.gz FDXMUVYHUSTXGZ-UHFFFAOYSA-N -1 3 291.391 3.398 20 0 CGADHM CCCCC1(C(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)CC1 ZINC000820175623 632582650 /nfs/dbraw/zinc/58/26/50/632582650.db2.gz HVTCATVVWIBHAF-UHFFFAOYSA-N -1 3 273.336 3.177 20 0 CGADHM CC(C)OC1(C(=O)Nc2cc(Cl)ccc2[O-])CCC1 ZINC000821144153 632730130 /nfs/dbraw/zinc/73/01/30/632730130.db2.gz SDBSNCGKSILEFE-UHFFFAOYSA-N -1 3 283.755 3.332 20 0 CGADHM O=C(Cc1cccc2ncccc12)[N-]OC1CCCCC1 ZINC000822154136 632879120 /nfs/dbraw/zinc/87/91/20/632879120.db2.gz DDQAPYHCAZVBJX-UHFFFAOYSA-N -1 3 284.359 3.158 20 0 CGADHM CC(=O)c1ccc(-c2nnn[n-]2)c(N[C@@H]2CCCC[C@H]2C)c1 ZINC000824014270 633181467 /nfs/dbraw/zinc/18/14/67/633181467.db2.gz GXJAYYAYPPUQSM-QMTHXVAHSA-N -1 3 299.378 3.060 20 0 CGADHM CC(=O)c1ccc(-c2nn[n-]n2)c(N[C@@H]2CCCC[C@H]2C)c1 ZINC000824014270 633181470 /nfs/dbraw/zinc/18/14/70/633181470.db2.gz GXJAYYAYPPUQSM-QMTHXVAHSA-N -1 3 299.378 3.060 20 0 CGADHM C[C@@H]1CC[C@H](Sc2cccc(-c3nnn[n-]3)c2)C1 ZINC000824915121 633304731 /nfs/dbraw/zinc/30/47/31/633304731.db2.gz BFDIPZASKYECGW-SKDRFNHKSA-N -1 3 260.366 3.147 20 0 CGADHM C[C@@H]1CC[C@H](Sc2cccc(-c3nn[n-]n3)c2)C1 ZINC000824915121 633304737 /nfs/dbraw/zinc/30/47/37/633304737.db2.gz BFDIPZASKYECGW-SKDRFNHKSA-N -1 3 260.366 3.147 20 0 CGADHM CCCc1ccc(NCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000825348744 633348855 /nfs/dbraw/zinc/34/88/55/633348855.db2.gz YXHYCDXHJYRURI-UHFFFAOYSA-N -1 3 293.374 3.431 20 0 CGADHM CCCc1ccc(NCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825348744 633348859 /nfs/dbraw/zinc/34/88/59/633348859.db2.gz YXHYCDXHJYRURI-UHFFFAOYSA-N -1 3 293.374 3.431 20 0 CGADHM Cc1cccc(CO[N-]C(=O)[C@]2(C)CCC(C)=C(C)C2)n1 ZINC000825572430 633365527 /nfs/dbraw/zinc/36/55/27/633365527.db2.gz GXGTVHYUCXYWEH-QGZVFWFLSA-N -1 3 288.391 3.464 20 0 CGADHM Cc1ccc(C(=O)N2CCC[C@@H]2c2cncc(C)c2)c([O-])c1 ZINC000830471957 633865213 /nfs/dbraw/zinc/86/52/13/633865213.db2.gz OQAUGACHKVIDAJ-MRXNPFEDSA-N -1 3 296.370 3.381 20 0 CGADHM CC/C=C/CCO[N-]C(=O)CCc1ccc(OC)cc1 ZINC000871798291 633870660 /nfs/dbraw/zinc/87/06/60/633870660.db2.gz SIOVFKDPQOOCMI-SNAWJCMRSA-N -1 3 277.364 3.032 20 0 CGADHM COc1cc(C)ccc1CN[C@H](C(=O)[O-])c1ccccc1C ZINC000871883472 633910327 /nfs/dbraw/zinc/91/03/27/633910327.db2.gz OGVIFDXOWRXAHI-KRWDZBQOSA-N -1 3 299.370 3.228 20 0 CGADHM C[C@H](N[C@@H](C)c1cccc([O-])c1F)c1cccnc1 ZINC000872019426 633939517 /nfs/dbraw/zinc/93/95/17/633939517.db2.gz WPDSDNUHNZCCOF-QWRGUYRKSA-N -1 3 260.312 3.338 20 0 CGADHM C[C@H](N[C@@H](C)c1cccc([O-])c1F)c1cncc(F)c1 ZINC000872059906 633981098 /nfs/dbraw/zinc/98/10/98/633981098.db2.gz KOXLFIDTVMSFIF-UWVGGRQHSA-N -1 3 278.302 3.477 20 0 CGADHM C[C@@H](NCc1nnc(C2CC2)s1)c1cccc([O-])c1F ZINC000872079003 634002636 /nfs/dbraw/zinc/00/26/36/634002636.db2.gz GFGAEBPSTAQRDG-MRVPVSSYSA-N -1 3 293.367 3.111 20 0 CGADHM Cc1cc2c(cc1C)N(C(=O)Cc1ccc([O-])c(F)c1)CC2 ZINC000831829856 634005182 /nfs/dbraw/zinc/00/51/82/634005182.db2.gz OUCWHTOUVFMFAM-UHFFFAOYSA-N -1 3 299.345 3.280 20 0 CGADHM CCC1CN(C(=O)c2cc3sccc3c([O-])c2)C1 ZINC000837258542 634878351 /nfs/dbraw/zinc/87/83/51/634878351.db2.gz KSLZEBQKIDEOFT-UHFFFAOYSA-N -1 3 261.346 3.089 20 0 CGADHM CCCCCCC(=O)OCc1cc(=O)[n-]c(C2CC2)n1 ZINC000837437819 634909172 /nfs/dbraw/zinc/90/91/72/634909172.db2.gz HHUFHOYGUCPRTI-UHFFFAOYSA-N -1 3 278.352 3.073 20 0 CGADHM C[C@H]1CC[C@@](C)(C(=O)[N-]OC/C=C\Cl)C1(C)C ZINC000837662379 634961045 /nfs/dbraw/zinc/96/10/45/634961045.db2.gz NSXFIZPQCPHUKQ-RPKQKPJSSA-N -1 3 259.777 3.249 20 0 CGADHM CC(=O)CCCCCOC(=O)c1cc2occc2[n-]1 ZINC000837682215 634964380 /nfs/dbraw/zinc/96/43/80/634964380.db2.gz MVKFZTMCIOSGAG-UHFFFAOYSA-N -1 3 263.293 3.067 20 0 CGADHM Cc1ccncc1CO[N-]C(=O)CCC1CCCCC1 ZINC000842028284 635258372 /nfs/dbraw/zinc/25/83/72/635258372.db2.gz KDWTZVJXXKLAGW-UHFFFAOYSA-N -1 3 276.380 3.298 20 0 CGADHM O=C(/C=C\c1ccc(Cl)cc1)Nc1ncccc1[O-] ZINC000843419530 635664969 /nfs/dbraw/zinc/66/49/69/635664969.db2.gz WZGWUPDWLUZSEI-YVMONPNESA-N -1 3 274.707 3.093 20 0 CGADHM C[C@H]1CN(Cc2c(F)ccc([O-])c2F)CC2(CCCC2)O1 ZINC000843435224 635675933 /nfs/dbraw/zinc/67/59/33/635675933.db2.gz RCCPTBYRMUPPAT-NSHDSACASA-N -1 3 297.345 3.204 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])C1(C(F)F)CC1 ZINC000843830829 635786711 /nfs/dbraw/zinc/78/67/11/635786711.db2.gz HQUWSJCGZXUZMU-UHFFFAOYSA-N -1 3 261.655 3.029 20 0 CGADHM CCCO[N-]C(=O)CCCCc1nc2ccccc2s1 ZINC000844080383 635815502 /nfs/dbraw/zinc/81/55/02/635815502.db2.gz FSTCBAZWSZTTMR-UHFFFAOYSA-N -1 3 292.404 3.467 20 0 CGADHM CCCO[N-]C(=O)CCc1cccc(C(F)(F)F)c1 ZINC000844087709 635819492 /nfs/dbraw/zinc/81/94/92/635819492.db2.gz FBSKNUJJTQFQDH-UHFFFAOYSA-N -1 3 275.270 3.096 20 0 CGADHM Cc1cc2scc(CC(=O)[N-]OC(C)C)c2s1 ZINC000880184465 635929784 /nfs/dbraw/zinc/92/97/84/635929784.db2.gz HHZNGRXUSNWUSB-UHFFFAOYSA-N -1 3 269.391 3.270 20 0 CGADHM CC(C)c1ccc(C(=O)N2CCC[C@@H](CF)C2)c([O-])c1 ZINC000881594966 636157213 /nfs/dbraw/zinc/15/72/13/636157213.db2.gz NYTMYGYHACSBSB-LBPRGKRZSA-N -1 3 279.355 3.337 20 0 CGADHM CC[C@H]1CN(C(=O)c2cc([O-])c3ccccc3c2)[C@H](C)CO1 ZINC000846434743 636185173 /nfs/dbraw/zinc/18/51/73/636185173.db2.gz SDIZBFXOMACBMS-DOMZBBRYSA-N -1 3 299.370 3.185 20 0 CGADHM O=c1ccnc(C=Cc2ccc(-c3ccncc3)cc2F)[n-]1 ZINC000130967031 636539274 /nfs/dbraw/zinc/53/92/74/636539274.db2.gz RZFMURREJYJTDX-ONEGZZNKSA-N -1 3 293.301 3.141 20 0 CGADHM Cc1cc2cc(C=Cc3nccc(=O)[n-]3)oc2cc1C ZINC000131826613 636757106 /nfs/dbraw/zinc/75/71/06/636757106.db2.gz CCJZGKLMRNFDTO-ONEGZZNKSA-N -1 3 266.300 3.303 20 0 CGADHM O=S(=O)(/C=C/c1ccccc1)[N-]c1cc(F)cc(F)c1 ZINC000028781183 636837894 /nfs/dbraw/zinc/83/78/94/636837894.db2.gz GPRMFBXOWSNJSU-VOTSOKGWSA-N -1 3 295.310 3.377 20 0 CGADHM Cc1cc(C(=O)Nc2cc(F)ccc2[O-])cc(Cl)n1 ZINC000133119891 636874306 /nfs/dbraw/zinc/87/43/06/636874306.db2.gz QDXMBNFDQXLDSX-UHFFFAOYSA-N -1 3 280.686 3.140 20 0 CGADHM Cc1cccc(CCCOC(=O)c2cccc3nn[n-]c32)c1 ZINC000800208661 636958185 /nfs/dbraw/zinc/95/81/85/636958185.db2.gz QGMYJAPMIIUVKV-UHFFFAOYSA-N -1 3 295.342 3.056 20 0 CGADHM Cc1cccc(CCCOC(=O)c2cccc3[n-]nnc32)c1 ZINC000800208661 636958196 /nfs/dbraw/zinc/95/81/96/636958196.db2.gz QGMYJAPMIIUVKV-UHFFFAOYSA-N -1 3 295.342 3.056 20 0 CGADHM Cc1cccc(CCCOC(=O)c2cccc3n[n-]nc32)c1 ZINC000800208661 636958204 /nfs/dbraw/zinc/95/82/04/636958204.db2.gz QGMYJAPMIIUVKV-UHFFFAOYSA-N -1 3 295.342 3.056 20 0 CGADHM Cc1ccc(CO[N-]C(=O)CCOc2ccccc2)cc1 ZINC000109744098 637244585 /nfs/dbraw/zinc/24/45/85/637244585.db2.gz BNZSEKLYPUXSJP-UHFFFAOYSA-N -1 3 285.343 3.012 20 0 CGADHM CC1=CC[C@](C)(C(=O)[N-]OCc2ccccc2)CC1 ZINC000854290585 638038934 /nfs/dbraw/zinc/03/89/34/638038934.db2.gz XGXIFSGSAZNDFH-INIZCTEOSA-N -1 3 259.349 3.371 20 0 CGADHM CC[C@@H](CC(=O)[N-]OCC1CCC1)c1ccccc1 ZINC000856347393 638347369 /nfs/dbraw/zinc/34/73/69/638347369.db2.gz PRHJVQHQEOUNCW-AWEZNQCLSA-N -1 3 261.365 3.418 20 0 CGADHM CC[C@@H](C)n1nc(Nc2cc(Cl)nc(=O)[n-]2)cc1C ZINC000858466450 638726063 /nfs/dbraw/zinc/72/60/63/638726063.db2.gz FHSCKNBLPCRUPE-SSDOTTSWSA-N -1 3 281.747 3.055 20 0 CGADHM CCc1nc(C)c(CN[C@H](C)c2cc([O-])cc(F)c2)o1 ZINC000926477095 638774905 /nfs/dbraw/zinc/77/49/05/638774905.db2.gz KPHQMTLKRIOMON-SECBINFHSA-N -1 3 278.327 3.241 20 0 CGADHM CCc1ncc(C(=O)[N-]c2c(C)noc2C(C)C)s1 ZINC000928786515 638892086 /nfs/dbraw/zinc/89/20/86/638892086.db2.gz LWVVHYMLRYTZDW-UHFFFAOYSA-N -1 3 279.365 3.378 20 0 CGADHM C[C@H](CN1CCn2cccc2[C@@H]1C)C(=O)c1ccc([O-])cc1 ZINC000929190622 638906720 /nfs/dbraw/zinc/90/67/20/638906720.db2.gz HAPGITLDCBVKQL-KGLIPLIRSA-N -1 3 298.386 3.089 20 0 CGADHM Cc1nc(CNCc2ccc([O-])c(Cl)c2)cs1 ZINC000043488446 639929348 /nfs/dbraw/zinc/92/93/48/639929348.db2.gz WHOXYEJEHHDYLT-UHFFFAOYSA-N -1 3 268.769 3.100 20 0 CGADHM Cc1cc(C(=O)/C=C/c2ccc(C#N)cc2)ccc1[O-] ZINC000077166052 640227327 /nfs/dbraw/zinc/22/73/27/640227327.db2.gz PZOUKDMNULDPJL-SOFGYWHQSA-N -1 3 263.296 3.468 20 0 CGADHM C[C@H](CC(=O)[N-]OCc1ccccc1)c1ccccc1 ZINC000248143721 640744208 /nfs/dbraw/zinc/74/42/08/640744208.db2.gz DDSRDFRHTKOKIF-CQSZACIVSA-N -1 3 269.344 3.428 20 0 CGADHM CCc1cccc(C)c1NC(=O)c1cc2c(cc1[O-])OCO2 ZINC000094033944 640787876 /nfs/dbraw/zinc/78/78/76/640787876.db2.gz YEIMUIGUFMBXMJ-UHFFFAOYSA-N -1 3 299.326 3.244 20 0 CGADHM COC(=O)c1ccc(Nc2ccc([O-])c(Cl)c2)cc1N ZINC001250339228 805583753 /nfs/dbraw/zinc/58/37/53/805583753.db2.gz KEVIDCGDRAPONN-UHFFFAOYSA-N -1 3 292.722 3.158 20 0 CGADHM COCc1ccc(-c2nc3c([n-]2)c(F)cc(F)c3F)o1 ZINC001251034411 805833484 /nfs/dbraw/zinc/83/34/84/805833484.db2.gz LJOBPWATZRLLEP-UHFFFAOYSA-N -1 3 282.221 3.387 20 0 CGADHM [O-]c1c(F)ccc(-c2nc3ccc(F)cc3[nH]2)c1F ZINC001251234461 805867065 /nfs/dbraw/zinc/86/70/65/805867065.db2.gz CLIFJAOQNQNGSE-UHFFFAOYSA-N -1 3 264.206 3.353 20 0 CGADHM Cn1c2ccc(F)cc2nc1-c1cccc([O-])c1F ZINC001251255588 805872950 /nfs/dbraw/zinc/87/29/50/805872950.db2.gz QZWOMQPOTNWQFF-UHFFFAOYSA-N -1 3 260.243 3.224 20 0 CGADHM Cc1c[nH]c(=O)c(-c2nc3c(cccc3Cl)[n-]2)c1 ZINC001251287991 805877041 /nfs/dbraw/zinc/87/70/41/805877041.db2.gz ADWSUSGANSSTPP-UHFFFAOYSA-N -1 3 259.696 3.292 20 0 CGADHM CCOC(=O)c1cc(-c2nc3ccccc3n2C(C)C)[n-]n1 ZINC001251526573 805904648 /nfs/dbraw/zinc/90/46/48/805904648.db2.gz NZRNCCOPEILCAC-UHFFFAOYSA-N -1 3 298.346 3.184 20 0 CGADHM CCOC(=O)c1cc(-c2nc3ccccc3n2C(C)C)n[n-]1 ZINC001251526573 805904655 /nfs/dbraw/zinc/90/46/55/805904655.db2.gz NZRNCCOPEILCAC-UHFFFAOYSA-N -1 3 298.346 3.184 20 0 CGADHM CC(C)=C[C@H]1[C@H](C(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)C1(C)C ZINC001159055908 806036856 /nfs/dbraw/zinc/03/68/56/806036856.db2.gz FLRPFCKTXDLDBP-GXTWGEPZSA-N -1 3 299.374 3.445 20 0 CGADHM Nc1ccc2cc(Nc3ncc(F)cc3[O-])ccc2c1 ZINC001159274216 806072091 /nfs/dbraw/zinc/07/20/91/806072091.db2.gz FWRJQLNARSBAFP-UHFFFAOYSA-N -1 3 269.279 3.405 20 0 CGADHM CCC[C@H](O)CNc1ccc(Cl)c(Cl)c1[O-] ZINC001252792676 806116762 /nfs/dbraw/zinc/11/67/62/806116762.db2.gz FADSJOSFFHHQRN-ZETCQYMHSA-N -1 3 264.152 3.272 20 0 CGADHM CCc1ccc(-c2nnc(-c3cncc([O-])c3)o2)cc1 ZINC001253001266 806151379 /nfs/dbraw/zinc/15/13/79/806151379.db2.gz IMOOVIOPGJKVLZ-UHFFFAOYSA-N -1 3 267.288 3.067 20 0 CGADHM [O-]c1ccc(Cc2nnc(Cc3ccccc3)o2)c(F)c1 ZINC001253525846 806235243 /nfs/dbraw/zinc/23/52/43/806235243.db2.gz YJJPWWBGWVSQJD-UHFFFAOYSA-N -1 3 284.290 3.096 20 0 CGADHM CCCS(=O)(=O)[N-]c1ccccc1OC1CCCC1 ZINC001253692646 806280027 /nfs/dbraw/zinc/28/00/27/806280027.db2.gz KUZZKUUXPWXATH-UHFFFAOYSA-N -1 3 283.393 3.160 20 0 CGADHM CCCCS(=O)(=O)[N-]c1ccc(F)cc1OC(C)C ZINC001253871552 806317431 /nfs/dbraw/zinc/31/74/31/806317431.db2.gz UJEZHNKZNVJAGQ-UHFFFAOYSA-N -1 3 289.372 3.155 20 0 CGADHM CCCc1nnc(-c2ccc([O-])cc2C(F)(F)F)o1 ZINC001254031839 806332178 /nfs/dbraw/zinc/33/21/78/806332178.db2.gz LKALUSIKUFOPCO-UHFFFAOYSA-N -1 3 272.226 3.414 20 0 CGADHM O=C([O-])[C@@H](NCc1cccs1)c1ccc(Cl)cc1 ZINC000037966582 798880951 /nfs/dbraw/zinc/88/09/51/798880951.db2.gz JBHDEPOXZDLAGB-LBPRGKRZSA-N -1 3 281.764 3.317 20 0 CGADHM C[C@@H]1C[C@@H](C)CCN1Cc1cc(F)c([O-])c(F)c1 ZINC000133732040 799035412 /nfs/dbraw/zinc/03/54/12/799035412.db2.gz CRSBEUKFCITBST-VHSXEESVSA-N -1 3 255.308 3.291 20 0 CGADHM C[C@@H]1CCCN(Cc2cc(F)c([O-])c(F)c2)[C@H]1C ZINC000252107349 799166105 /nfs/dbraw/zinc/16/61/05/799166105.db2.gz HFOBVBKPYYWVPL-ZJUUUORDSA-N -1 3 255.308 3.291 20 0 CGADHM Cc1ccc(C(=O)NCC2CCCCCC2)c([O-])c1 ZINC000389520252 799463341 /nfs/dbraw/zinc/46/33/41/799463341.db2.gz GGOACWNYHJLBCR-UHFFFAOYSA-N -1 3 261.365 3.401 20 0 CGADHM CC(C)O[N-]C(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000393332957 799485946 /nfs/dbraw/zinc/48/59/46/799485946.db2.gz UKJNUTUOAZFSKH-UHFFFAOYSA-N -1 3 251.370 3.049 20 0 CGADHM COc1cccc([O-])c1C(=O)N[C@@H](C)CCCC(C)C ZINC000405269350 799582191 /nfs/dbraw/zinc/58/21/91/799582191.db2.gz NSDSQDKQFMTTAQ-LBPRGKRZSA-N -1 3 279.380 3.345 20 0 CGADHM CC[C@H](NC(=O)c1cc2c(cc1[O-])OCO2)c1ccccc1 ZINC000436757196 799612542 /nfs/dbraw/zinc/61/25/42/799612542.db2.gz TXPOEDLRKCCPBO-ZDUSSCGKSA-N -1 3 299.326 3.002 20 0 CGADHM CCN(CCC(F)(F)F)Cc1ccc(C)c(C(=O)[O-])c1 ZINC000701831529 799895049 /nfs/dbraw/zinc/89/50/49/799895049.db2.gz XDCDTGPUUNGKOP-UHFFFAOYSA-N -1 3 289.297 3.468 20 0 CGADHM Cc1cc(C(=O)[O-])ccc1CN1CCc2ccsc2C1 ZINC000711829227 800073453 /nfs/dbraw/zinc/07/34/53/800073453.db2.gz VQKUECFCKHNZRY-UHFFFAOYSA-N -1 3 287.384 3.313 20 0 CGADHM C[C@@H]1CN(Cc2cc(F)cc(Cl)c2)C[C@H]1CC(=O)[O-] ZINC000722644204 800324041 /nfs/dbraw/zinc/32/40/41/800324041.db2.gz IFBAQILTSBMSTE-MWLCHTKSSA-N -1 3 285.746 3.022 20 0 CGADHM FC(F)Oc1cccc(-c2ccc(=S)[n-]n2)c1 ZINC000722530965 800324355 /nfs/dbraw/zinc/32/43/55/800324355.db2.gz JNXVGBNMIMMJOS-UHFFFAOYSA-N -1 3 254.261 3.034 20 0 CGADHM CCOc1cccc(-c2nnc(CC(C)C)o2)c1[O-] ZINC001256512467 806908267 /nfs/dbraw/zinc/90/82/67/806908267.db2.gz QCXQANPRZRFIFC-UHFFFAOYSA-N -1 3 262.309 3.039 20 0 CGADHM Cc1c([O-])cc(-c2nnc(CC(C)C)o2)cc1F ZINC001256511514 806908425 /nfs/dbraw/zinc/90/84/25/806908425.db2.gz FZOJOEKVQXYYME-UHFFFAOYSA-N -1 3 250.273 3.088 20 0 CGADHM CCc1csc(N[C@H](C)c2nc(C(F)(F)F)n[n-]2)n1 ZINC001164227061 806918900 /nfs/dbraw/zinc/91/89/00/806918900.db2.gz YXCRMQCXTDUAHG-RXMQYKEDSA-N -1 3 291.302 3.016 20 0 CGADHM C[C@@H]1C[C@H]1c1nnc(-c2cc([O-])ccc2Br)o1 ZINC001256760583 806973442 /nfs/dbraw/zinc/97/34/42/806973442.db2.gz JBMFOFLZDALGOV-HTRCEHHLSA-N -1 3 295.136 3.328 20 0 CGADHM O=C(CCc1nc2ccccc2s1)[N-]OCC1CCC1 ZINC001118737267 802596000 /nfs/dbraw/zinc/59/60/00/802596000.db2.gz ALVAVQUMPUZKIT-UHFFFAOYSA-N -1 3 290.388 3.077 20 0 CGADHM CC(C)(C)c1coc(CNC[C@H](CC(=O)[O-])C(C)(C)C)n1 ZINC001119544066 802678527 /nfs/dbraw/zinc/67/85/27/802678527.db2.gz BYENEKPJMZIJRI-NSHDSACASA-N -1 3 296.411 3.199 20 0 CGADHM CC[C@@H](C)n1nccc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC001123775175 802969701 /nfs/dbraw/zinc/96/97/01/802969701.db2.gz SABZRUWFERGCSV-SECBINFHSA-N -1 3 293.754 3.465 20 0 CGADHM CC(C)Oc1ncc(-c2c([O-])cccc2Cl)cn1 ZINC001244047357 803159535 /nfs/dbraw/zinc/15/95/35/803159535.db2.gz OPJKQUQWBOPZKH-UHFFFAOYSA-N -1 3 264.712 3.290 20 0 CGADHM COc1nc(OC)c(-c2c([O-])cccc2Cl)cc1C ZINC001244046462 803159567 /nfs/dbraw/zinc/15/95/67/803159567.db2.gz IONCTKMZDVHJIE-UHFFFAOYSA-N -1 3 279.723 3.433 20 0 CGADHM COc1cc2[nH]cnc2cc1-c1cc(F)c([O-])c(F)c1 ZINC001244098067 803186358 /nfs/dbraw/zinc/18/63/58/803186358.db2.gz WEDCJBIENUNNME-UHFFFAOYSA-N -1 3 276.242 3.222 20 0 CGADHM CN(C)c1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1Cl ZINC001244413832 803359755 /nfs/dbraw/zinc/35/97/55/803359755.db2.gz XVWKIYWSJWNJDY-UHFFFAOYSA-N -1 3 299.765 3.253 20 0 CGADHM CN(C)c1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC001244413832 803359761 /nfs/dbraw/zinc/35/97/61/803359761.db2.gz XVWKIYWSJWNJDY-UHFFFAOYSA-N -1 3 299.765 3.253 20 0 CGADHM COc1ccnc(-c2cc(OC(F)(F)F)ccc2[O-])c1 ZINC001244457530 803380381 /nfs/dbraw/zinc/38/03/81/803380381.db2.gz ZLRFZFYJJARHLK-UHFFFAOYSA-N -1 3 285.221 3.361 20 0 CGADHM [O-]c1cc(Cl)ccc1-c1cncc2cc(CO)oc21 ZINC001244469528 803385927 /nfs/dbraw/zinc/38/59/27/803385927.db2.gz LOHJWCSYALMUJD-UHFFFAOYSA-N -1 3 275.691 3.346 20 0 CGADHM c1csc([N-]c2cc(-c3ccccc3)cnn2)n1 ZINC001210989844 814701486 /nfs/dbraw/zinc/70/14/86/814701486.db2.gz AMRUNWPEDUTAOV-UHFFFAOYSA-N -1 3 254.318 3.344 20 0 CGADHM CSc1nc(C)cc(-c2cc(C)c(F)c([O-])c2)n1 ZINC001244496215 803404208 /nfs/dbraw/zinc/40/42/08/803404208.db2.gz OSEPYTRZIQMMJV-UHFFFAOYSA-N -1 3 264.325 3.327 20 0 CGADHM CCOc1cc(-c2cc(C)c(F)c([O-])c2)nc(SC)n1 ZINC001244506350 803410347 /nfs/dbraw/zinc/41/03/47/803410347.db2.gz NQMBOVGFSCFPFE-UHFFFAOYSA-N -1 3 294.351 3.417 20 0 CGADHM Cc1cc(-c2nccc(-c3cccnc3F)n2)cc([O-])c1F ZINC001244507910 803411350 /nfs/dbraw/zinc/41/13/50/803411350.db2.gz PLXJJOLEAOTIPE-UHFFFAOYSA-N -1 3 299.280 3.498 20 0 CGADHM Cc1ccc(S(C)(=O)=O)cc1-c1cc(C)c(F)c([O-])c1 ZINC001244521436 803414893 /nfs/dbraw/zinc/41/48/93/803414893.db2.gz SSMNAQDAFLKSCO-UHFFFAOYSA-N -1 3 294.347 3.219 20 0 CGADHM CCOC(=O)Cc1ccncc1-c1cc(C)c(F)c([O-])c1 ZINC001244520794 803415722 /nfs/dbraw/zinc/41/57/22/803415722.db2.gz MKXLKXHRYDDFIR-UHFFFAOYSA-N -1 3 289.306 3.007 20 0 CGADHM Cc1cc(-c2ccc3c(c2)NC(=O)N(C)C3)cc([O-])c1F ZINC001244525986 803418557 /nfs/dbraw/zinc/41/85/57/803418557.db2.gz WJICMXUGYSCFIQ-UHFFFAOYSA-N -1 3 286.306 3.484 20 0 CGADHM Cc1cc(-c2cc(C)c3c(c2)NC(=O)CO3)cc([O-])c1F ZINC001244525394 803418664 /nfs/dbraw/zinc/41/86/64/803418664.db2.gz NMCMQTYRLQNPGP-UHFFFAOYSA-N -1 3 287.290 3.146 20 0 CGADHM Cc1cc(-c2cc(C)c([O-])c(Cl)c2)cc(=O)o1 ZINC001244550911 803433663 /nfs/dbraw/zinc/43/36/63/803433663.db2.gz ONXPHCKKRZDTHO-UHFFFAOYSA-N -1 3 250.681 3.283 20 0 CGADHM COc1ccc(C)c(F)c1-c1ccc(C)c(-c2nnn[n-]2)c1 ZINC001244570020 803445946 /nfs/dbraw/zinc/44/59/46/803445946.db2.gz WUSPZMYMRBJMLR-UHFFFAOYSA-N -1 3 298.321 3.298 20 0 CGADHM COc1ccc(C)c(F)c1-c1ccc(C)c(-c2nn[n-]n2)c1 ZINC001244570020 803445951 /nfs/dbraw/zinc/44/59/51/803445951.db2.gz WUSPZMYMRBJMLR-UHFFFAOYSA-N -1 3 298.321 3.298 20 0 CGADHM Fc1ccc(-c2ccccc2-c2nnn[n-]2)c2occc21 ZINC001244930097 803580891 /nfs/dbraw/zinc/58/08/91/803580891.db2.gz CBHOPOYUGFIVSC-UHFFFAOYSA-N -1 3 280.262 3.419 20 0 CGADHM Fc1ccc(-c2ccccc2-c2nn[n-]n2)c2occc21 ZINC001244930097 803580897 /nfs/dbraw/zinc/58/08/97/803580897.db2.gz CBHOPOYUGFIVSC-UHFFFAOYSA-N -1 3 280.262 3.419 20 0 CGADHM Cc1cc(-c2cncc(CN(C)C)c2)cc(C)c1C(=O)[O-] ZINC001244948689 803587770 /nfs/dbraw/zinc/58/77/70/803587770.db2.gz MCYWXZWJNPZKSY-UHFFFAOYSA-N -1 3 284.359 3.125 20 0 CGADHM NC(=O)c1cc(-c2ccc([O-])cc2Cl)nc2ccccc21 ZINC001245078387 803633868 /nfs/dbraw/zinc/63/38/68/803633868.db2.gz IGLZHUFPEYDTPK-UHFFFAOYSA-N -1 3 298.729 3.360 20 0 CGADHM Nc1ccc2ccc(-c3ccc([O-])cc3Cl)nc2n1 ZINC001245078766 803634069 /nfs/dbraw/zinc/63/40/69/803634069.db2.gz GJRYHEZJMFTUJO-UHFFFAOYSA-N -1 3 271.707 3.238 20 0 CGADHM COc1nc(-c2ccc([O-])cc2Cl)nc2c1ccn2C ZINC001245079857 803634790 /nfs/dbraw/zinc/63/47/90/803634790.db2.gz QTIBONODAUKJKF-UHFFFAOYSA-N -1 3 289.722 3.003 20 0 CGADHM [O-]c1ccc(-c2ccc(OC(F)F)nn2)c(Cl)c1 ZINC001245080799 803635314 /nfs/dbraw/zinc/63/53/14/803635314.db2.gz ZHQISNKQLBTFDD-UHFFFAOYSA-N -1 3 272.638 3.104 20 0 CGADHM Cc1nc(Nc2ccc([O-])c(F)c2F)sc1C ZINC001211997895 814964443 /nfs/dbraw/zinc/96/44/43/814964443.db2.gz RGMDWNRDYZFCOY-UHFFFAOYSA-N -1 3 256.277 3.487 20 0 CGADHM Cc1cccc(N)c1Nc1ccc([O-])c(F)c1F ZINC001212009460 814966519 /nfs/dbraw/zinc/96/65/19/814966519.db2.gz PLXANRBXIBLBBH-UHFFFAOYSA-N -1 3 250.248 3.305 20 0 CGADHM COc1cc(O)ccc1Nc1ccc([O-])c(F)c1F ZINC001212013782 814966913 /nfs/dbraw/zinc/96/69/13/814966913.db2.gz JQQPUVIDEPNXIB-UHFFFAOYSA-N -1 3 267.231 3.128 20 0 CGADHM O=C1OCc2cccc(Nc3ccc([O-])c(F)c3F)c21 ZINC001212016366 814968096 /nfs/dbraw/zinc/96/80/96/814968096.db2.gz MQPSFXIOYNUVQK-UHFFFAOYSA-N -1 3 277.226 3.084 20 0 CGADHM Fc1ccc2cc(-c3ccc(Cc4nnn[n-]4)cc3)[nH]c2c1 ZINC001245589872 803837756 /nfs/dbraw/zinc/83/77/56/803837756.db2.gz DOXBMFKMFCHENV-UHFFFAOYSA-N -1 3 293.305 3.078 20 0 CGADHM Fc1ccc2cc(-c3ccc(Cc4nn[n-]n4)cc3)[nH]c2c1 ZINC001245589872 803837763 /nfs/dbraw/zinc/83/77/63/803837763.db2.gz DOXBMFKMFCHENV-UHFFFAOYSA-N -1 3 293.305 3.078 20 0 CGADHM O=C([O-])Cn1cc(CN2CC3CCC2CC3)c2ccccc21 ZINC001138194587 803872738 /nfs/dbraw/zinc/87/27/38/803872738.db2.gz UPDHHTXGWNQRRW-UHFFFAOYSA-N -1 3 298.386 3.100 20 0 CGADHM C[C@@H]1C(=O)Nc2cc(-c3c([O-])cccc3F)ccc21 ZINC001245652429 803882907 /nfs/dbraw/zinc/88/29/07/803882907.db2.gz ADRHQLIPJLROIC-QMMMGPOBSA-N -1 3 257.264 3.254 20 0 CGADHM COC(=O)[C@H](C)c1ccc(-c2c([O-])cccc2F)cc1 ZINC001245654430 803886499 /nfs/dbraw/zinc/88/64/99/803886499.db2.gz DYXAJRWWJFZWKT-SNVBAGLBSA-N -1 3 274.291 3.475 20 0 CGADHM O=C1CCc2cccc(-c3c([O-])cccc3F)c2N1 ZINC001245655897 803887650 /nfs/dbraw/zinc/88/76/50/803887650.db2.gz NOWMJNLKBLEWFC-UHFFFAOYSA-N -1 3 257.264 3.083 20 0 CGADHM COC(=O)c1cc(F)c(F)cc1-c1c([O-])cccc1F ZINC001245656591 803890412 /nfs/dbraw/zinc/89/04/12/803890412.db2.gz PXZHGKZVVCQXIW-UHFFFAOYSA-N -1 3 282.217 3.263 20 0 CGADHM [O-]c1cccc(F)c1-c1cncnc1C(F)(F)F ZINC001245656631 803890474 /nfs/dbraw/zinc/89/04/74/803890474.db2.gz QQSVNNJADHSTQY-UHFFFAOYSA-N -1 3 258.174 3.007 20 0 CGADHM [O-]c1cccc(F)c1-c1ccccc1C1OCCO1 ZINC001245656798 803890528 /nfs/dbraw/zinc/89/05/28/803890528.db2.gz TXCLAVHMRSJFQU-UHFFFAOYSA-N -1 3 260.264 3.244 20 0 CGADHM CC(=O)Nc1ccc(F)c(-c2c([O-])cccc2F)c1 ZINC001245656271 803890964 /nfs/dbraw/zinc/89/09/64/803890964.db2.gz JXCGJASSYWBVJV-UHFFFAOYSA-N -1 3 263.243 3.296 20 0 CGADHM COc1cc(-c2c([O-])cccc2F)c(NC(C)=O)cc1C ZINC001245657981 803892421 /nfs/dbraw/zinc/89/24/21/803892421.db2.gz WDFAUXQTHOKSRU-UHFFFAOYSA-N -1 3 289.306 3.474 20 0 CGADHM Cc1c(N)ccnc1-c1cc(Cl)c([O-])cc1F ZINC001245668188 803896848 /nfs/dbraw/zinc/89/68/48/803896848.db2.gz PQXUTESPFDBJOP-UHFFFAOYSA-N -1 3 252.676 3.137 20 0 CGADHM Cc1cccc([O-])c1C(=O)Nc1ccc2cc[nH]c2c1 ZINC001139298936 804173487 /nfs/dbraw/zinc/17/34/87/804173487.db2.gz IZASKVJUSBIWJR-UHFFFAOYSA-N -1 3 266.300 3.434 20 0 CGADHM [O-]c1cnccc1CN1CCC[C@@H]1c1cc(F)ccc1F ZINC001140277484 804407300 /nfs/dbraw/zinc/40/73/00/804407300.db2.gz BCSVPQPMSGNCOA-OAHLLOKOSA-N -1 3 290.313 3.403 20 0 CGADHM C[C@]1(F)CCCN(Cc2cc(F)c([O-])c(F)c2)CC1 ZINC001140988283 804563333 /nfs/dbraw/zinc/56/33/33/804563333.db2.gz VNUYJDNDMNDNEX-AWEZNQCLSA-N -1 3 273.298 3.385 20 0 CGADHM C[C@@]1(F)CCCN(Cc2cc(F)c([O-])c(F)c2)CC1 ZINC001140988284 804564513 /nfs/dbraw/zinc/56/45/13/804564513.db2.gz VNUYJDNDMNDNEX-CQSZACIVSA-N -1 3 273.298 3.385 20 0 CGADHM COc1ccccc1CN(C)Cc1cc(F)c([O-])c(F)c1 ZINC001140990388 804564667 /nfs/dbraw/zinc/56/46/67/804564667.db2.gz XMIGFOUOZZVIDN-UHFFFAOYSA-N -1 3 293.313 3.311 20 0 CGADHM O=C([N-]OC/C=C\Cl)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC001141763463 804667337 /nfs/dbraw/zinc/66/73/37/804667337.db2.gz QMCOYZXEBLDNIK-JQUXWSAYSA-N -1 3 285.693 3.155 20 0 CGADHM [O-]c1cc(Cl)c(CN2CCC[C@H](O)CC2)c(Cl)c1 ZINC001142105727 804695276 /nfs/dbraw/zinc/69/52/76/804695276.db2.gz KZNPBUAZIGMWNJ-VIFPVBQESA-N -1 3 290.190 3.046 20 0 CGADHM COC(=O)c1ccc(Nc2cc(F)cc(F)c2[O-])s1 ZINC001212478119 815033595 /nfs/dbraw/zinc/03/35/95/815033595.db2.gz WKGIFCYBERWPAX-UHFFFAOYSA-N -1 3 285.271 3.262 20 0 CGADHM CCc1ccc(C(=O)N[C@@H]2CCCC[C@H]2SC)c([O-])c1 ZINC001144716202 805039161 /nfs/dbraw/zinc/03/91/61/805039161.db2.gz ZCHLZJNZMWTSSU-UKRRQHHQSA-N -1 3 293.432 3.359 20 0 CGADHM Cc1ccc(C(=O)NCc2ccc3c(ccn3C)c2)c([O-])c1 ZINC001148493539 805189357 /nfs/dbraw/zinc/18/93/57/805189357.db2.gz KBJNVXPICJHEJI-UHFFFAOYSA-N -1 3 294.354 3.122 20 0 CGADHM Cc1cccc([O-])c1C(=O)N[C@H](CF)c1ccc(F)cc1 ZINC001152364219 805346066 /nfs/dbraw/zinc/34/60/66/805346066.db2.gz MBRVHUQVWJLNII-CYBMUJFWSA-N -1 3 291.297 3.280 20 0 CGADHM Cc1cccc(-c2noc(-c3ccc([O-])cn3)n2)c1C ZINC001212557959 815068281 /nfs/dbraw/zinc/06/82/81/815068281.db2.gz KMKYUPZOFNUJJG-UHFFFAOYSA-N -1 3 267.288 3.121 20 0 CGADHM O=C(CCc1cc(F)cc(F)c1[O-])c1ccccc1 ZINC001250024716 805376166 /nfs/dbraw/zinc/37/61/66/805376166.db2.gz USROTNSAVRXOMG-UHFFFAOYSA-N -1 3 262.255 3.486 20 0 CGADHM O=C(Nc1ncccc1[O-])c1cccc2sccc21 ZINC001153429264 805396176 /nfs/dbraw/zinc/39/61/76/805396176.db2.gz YHNMKLOKBBBIRY-UHFFFAOYSA-N -1 3 270.313 3.254 20 0 CGADHM C[C@H](C(=O)Nc1ncccc1[O-])[C@H](C)C(C)(C)C ZINC001154067687 805431142 /nfs/dbraw/zinc/43/11/42/805431142.db2.gz MSOVFPJIDWBAKF-UWVGGRQHSA-N -1 3 250.342 3.044 20 0 CGADHM Cc1nc(NC(=O)c2ccc3ccccc3c2F)cc(=O)[n-]1 ZINC001154290705 805446178 /nfs/dbraw/zinc/44/61/78/805446178.db2.gz DZMSWJHRERUJHA-UHFFFAOYSA-N -1 3 297.289 3.035 20 0 CGADHM CCOC(=O)c1cccnc1Nc1ccc(Cl)c([O-])c1 ZINC001212587948 815077488 /nfs/dbraw/zinc/07/74/88/815077488.db2.gz BPKFYXOKFRZFIM-UHFFFAOYSA-N -1 3 292.722 3.361 20 0 CGADHM CCc1cc2ncc(Nc3ccc(Cl)c([O-])c3)cn2n1 ZINC001212590302 815078306 /nfs/dbraw/zinc/07/83/06/815078306.db2.gz FOGBRSFNJOCUNH-UHFFFAOYSA-N -1 3 288.738 3.394 20 0 CGADHM CCOC(=O)c1ccc(Nc2ccc(Cl)c([O-])c2)cn1 ZINC001212590396 815078491 /nfs/dbraw/zinc/07/84/91/815078491.db2.gz KNCLEWGTVVWZTC-UHFFFAOYSA-N -1 3 292.722 3.361 20 0 CGADHM [O-]c1cc(Nc2nccnc2Cl)ccc1Cl ZINC001212588630 815078622 /nfs/dbraw/zinc/07/86/22/815078622.db2.gz WIJDNNWCBQWZLH-UHFFFAOYSA-N -1 3 256.092 3.233 20 0 CGADHM CN(C)C(=O)c1ccccc1Nc1ccc(Cl)c([O-])c1 ZINC001212592233 815079731 /nfs/dbraw/zinc/07/97/31/815079731.db2.gz FWDPWKIGIKRIPP-UHFFFAOYSA-N -1 3 290.750 3.491 20 0 CGADHM [O-]c1cc(Nc2c(F)cccc2CO)ccc1Cl ZINC001212594429 815081133 /nfs/dbraw/zinc/08/11/33/815081133.db2.gz ZASSYTQVZOEADV-UHFFFAOYSA-N -1 3 267.687 3.421 20 0 CGADHM COCCN(c1ccc(Cl)c([O-])c1)c1ccccc1N ZINC001212595272 815081316 /nfs/dbraw/zinc/08/13/16/815081316.db2.gz LKNDHGUTQQPMOD-UHFFFAOYSA-N -1 3 292.766 3.412 20 0 CGADHM Clc1ccc2nc(-c3nnc(C4CCCC4)o3)nc-2[n-]1 ZINC001257518278 807191678 /nfs/dbraw/zinc/19/16/78/807191678.db2.gz PEGRLSNEOPGHTM-UHFFFAOYSA-N -1 3 289.726 3.319 20 0 CGADHM Clc1ccc2[n-]c(-c3nnc(C4CCCC4)o3)nc2n1 ZINC001257518278 807191682 /nfs/dbraw/zinc/19/16/82/807191682.db2.gz PEGRLSNEOPGHTM-UHFFFAOYSA-N -1 3 289.726 3.319 20 0 CGADHM Clc1ccc2nc(-c3nnc(C4CCCC4)o3)[n-]c2n1 ZINC001257518278 807191686 /nfs/dbraw/zinc/19/16/86/807191686.db2.gz PEGRLSNEOPGHTM-UHFFFAOYSA-N -1 3 289.726 3.319 20 0 CGADHM CC[C@H](C)C[C@@H](C)Nc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001168691200 807482612 /nfs/dbraw/zinc/48/26/12/807482612.db2.gz DAXLDVSQFCPVLA-VHSXEESVSA-N -1 3 277.347 3.242 20 0 CGADHM CC[C@H](C)C[C@@H](C)Nc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001168691200 807482619 /nfs/dbraw/zinc/48/26/19/807482619.db2.gz DAXLDVSQFCPVLA-VHSXEESVSA-N -1 3 277.347 3.242 20 0 CGADHM Cc1cc(NCc2ncccc2[O-])ncc1C(F)(F)F ZINC001169726985 807698770 /nfs/dbraw/zinc/69/87/70/807698770.db2.gz JLRPAUAVDMRXET-UHFFFAOYSA-N -1 3 283.253 3.122 20 0 CGADHM CC[C@@H](C)S(=O)(=O)[N-]c1ccc(F)cc1C(F)(F)F ZINC001260723860 807700261 /nfs/dbraw/zinc/70/02/61/807700261.db2.gz RIVOVBIPRHCNMU-SSDOTTSWSA-N -1 3 299.289 3.385 20 0 CGADHM CCOc1ccc2cc(NCc3ncccc3[O-])cnc2c1 ZINC001169732662 807701564 /nfs/dbraw/zinc/70/15/64/807701564.db2.gz OMCFXBBUHAEOKW-UHFFFAOYSA-N -1 3 295.342 3.346 20 0 CGADHM CC1(C)CCNc2cc(NCc3ncccc3[O-])ccc21 ZINC001169736919 807701608 /nfs/dbraw/zinc/70/16/08/807701608.db2.gz LHVUJTRMIAZJRE-UHFFFAOYSA-N -1 3 283.375 3.493 20 0 CGADHM [O-]c1cccnc1CNc1cc(Cl)cc2oncc21 ZINC001169735919 807701776 /nfs/dbraw/zinc/70/17/76/807701776.db2.gz BFPSKZCAMAYASW-UHFFFAOYSA-N -1 3 275.695 3.194 20 0 CGADHM Nc1nonc1[N-]c1ccc(Oc2ccccc2)cc1 ZINC001173810579 808683509 /nfs/dbraw/zinc/68/35/09/808683509.db2.gz BNKQRXAVWIOTJJ-UHFFFAOYSA-N -1 3 268.276 3.188 20 0 CGADHM COc1ccc(C)cc1[N-]c1nnc(C(C)(C)C)o1 ZINC001173982983 808804739 /nfs/dbraw/zinc/80/47/39/808804739.db2.gz UBYGLGBKHZWIQG-UHFFFAOYSA-N -1 3 261.325 3.428 20 0 CGADHM COc1ccc(Nc2cc(=O)[n-]c(C3CC3)n2)c(C)c1 ZINC001174022784 808828689 /nfs/dbraw/zinc/82/86/89/808828689.db2.gz WIPJCJYVRJAQDF-UHFFFAOYSA-N -1 3 271.320 3.120 20 0 CGADHM [O-]c1cc(Nc2ccnc3ccccc32)c(F)cc1F ZINC001174038194 808835497 /nfs/dbraw/zinc/83/54/97/808835497.db2.gz IIOJZMFVNCCTQQ-UHFFFAOYSA-N -1 3 272.254 3.384 20 0 CGADHM [O-]c1cc(F)cnc1Nc1cncc2ccccc21 ZINC001174099547 808864552 /nfs/dbraw/zinc/86/45/52/808864552.db2.gz BLNASZZPSRIPMT-UHFFFAOYSA-N -1 3 255.252 3.218 20 0 CGADHM CCCn1cc(Nc2nc3c(cccc3[O-])s2)cn1 ZINC001174217478 808906493 /nfs/dbraw/zinc/90/64/93/808906493.db2.gz MLWRMWXKVLCYHQ-UHFFFAOYSA-N -1 3 274.349 3.352 20 0 CGADHM CC(C)(O)c1cccc([N-]c2nnc(-c3ccco3)o2)c1 ZINC001174404653 808999876 /nfs/dbraw/zinc/99/98/76/808999876.db2.gz SYXIIZWDBYRBBY-UHFFFAOYSA-N -1 3 285.303 3.301 20 0 CGADHM Nc1ccc(Nc2ccc([O-])c(F)c2F)c(F)c1 ZINC001174484562 809039578 /nfs/dbraw/zinc/03/95/78/809039578.db2.gz PJASVWZMYGAHSC-UHFFFAOYSA-N -1 3 254.211 3.135 20 0 CGADHM [O-]c1cc(Nc2ccc3c[nH]nc3c2)cc(F)c1F ZINC001174502314 809052100 /nfs/dbraw/zinc/05/21/00/809052100.db2.gz YUJSGZFOVINHEQ-UHFFFAOYSA-N -1 3 261.231 3.290 20 0 CGADHM [O-]c1cc(Cl)cnc1Nc1ccc(O)c(F)c1 ZINC001174733034 809145235 /nfs/dbraw/zinc/14/52/35/809145235.db2.gz DTABQBPPHRAPRN-UHFFFAOYSA-N -1 3 254.648 3.029 20 0 CGADHM CN(C)Cc1ccccc1Nc1ccc(C(=O)[O-])s1 ZINC001174807736 809167237 /nfs/dbraw/zinc/16/72/37/809167237.db2.gz NWTFYVNKKGFTII-UHFFFAOYSA-N -1 3 276.361 3.252 20 0 CGADHM CN(C)c1cccc(Nc2cc(=O)n(-c3ccccc3)[n-]2)c1 ZINC001174962627 809218518 /nfs/dbraw/zinc/21/85/18/809218518.db2.gz LHKGVFDLCAETJO-UHFFFAOYSA-N -1 3 294.358 3.388 20 0 CGADHM [O-]c1c(F)cc(Nc2ccccc2C2=NCCO2)cc1F ZINC001213388834 815275252 /nfs/dbraw/zinc/27/52/52/815275252.db2.gz OWEMTQLQYSCBMM-UHFFFAOYSA-N -1 3 290.269 3.191 20 0 CGADHM C[C@@H](O)c1ccccc1Nc1cc(F)c([O-])c(F)c1 ZINC001213386635 815275654 /nfs/dbraw/zinc/27/56/54/815275654.db2.gz MVCQEPGPJOKHPB-MRVPVSSYSA-N -1 3 265.259 3.467 20 0 CGADHM [O-]c1cc(F)c(Nc2ccc3c(c2)OCC3)c(F)c1 ZINC001175099379 809270132 /nfs/dbraw/zinc/27/01/32/809270132.db2.gz DDQDNPRARDPGMD-UHFFFAOYSA-N -1 3 263.243 3.349 20 0 CGADHM Cn1cc2cccc(Nc3c(F)cc([O-])cc3F)c2n1 ZINC001175100007 809270959 /nfs/dbraw/zinc/27/09/59/809270959.db2.gz MHCFEBYWHKVCGK-UHFFFAOYSA-N -1 3 275.258 3.301 20 0 CGADHM [O-]c1cc(F)c(Nc2cccc3c2OCC[C@H]3O)c(F)c1 ZINC001175100223 809271172 /nfs/dbraw/zinc/27/11/72/809271172.db2.gz XVAVXLNBOZTCSJ-CYBMUJFWSA-N -1 3 293.269 3.230 20 0 CGADHM [O-]c1cc(F)c(Nc2cc(F)cc(F)c2CO)c(F)c1 ZINC001175102502 809272678 /nfs/dbraw/zinc/27/26/78/809272678.db2.gz MWUHDLKVEQRKKM-UHFFFAOYSA-N -1 3 287.212 3.185 20 0 CGADHM COc1cc(Nc2ncc(Cl)cc2[O-])cc(OC)c1 ZINC001175102163 809272743 /nfs/dbraw/zinc/27/27/43/809272743.db2.gz UNQVHGZSMSKCNP-UHFFFAOYSA-N -1 3 280.711 3.201 20 0 CGADHM COc1cc([N-]c2noc(C(C)(C)C)n2)cc(OC)c1 ZINC001175103209 809273174 /nfs/dbraw/zinc/27/31/74/809273174.db2.gz NTIWOIUIDVNXJG-UHFFFAOYSA-N -1 3 277.324 3.128 20 0 CGADHM Cn1nc(C(C)(C)C)cc1Nc1c(F)ccc([O-])c1F ZINC001175262820 809329428 /nfs/dbraw/zinc/32/94/28/809329428.db2.gz MWQLPDFVOFIAOJ-UHFFFAOYSA-N -1 3 281.306 3.445 20 0 CGADHM Cc1nc2ccccn2c1Nc1c(F)ccc([O-])c1F ZINC001175263872 809329527 /nfs/dbraw/zinc/32/95/27/809329527.db2.gz VEPDTWJUXNQHNS-UHFFFAOYSA-N -1 3 275.258 3.370 20 0 CGADHM COc1ccc(Nc2c(F)ccc([O-])c2F)cc1 ZINC001175264221 809330224 /nfs/dbraw/zinc/33/02/24/809330224.db2.gz CECVZUMTOSEFNQ-UHFFFAOYSA-N -1 3 251.232 3.423 20 0 CGADHM COc1ccc(N)c(Nc2c(F)ccc([O-])c2F)c1 ZINC001175265964 809331768 /nfs/dbraw/zinc/33/17/68/809331768.db2.gz RGYARZFEXGNJHH-UHFFFAOYSA-N -1 3 266.247 3.005 20 0 CGADHM C[C@@H](O)c1ccc(Nc2c(F)ccc([O-])c2F)cc1 ZINC001175267822 809332935 /nfs/dbraw/zinc/33/29/35/809332935.db2.gz AAPRMUJZHFWUOQ-MRVPVSSYSA-N -1 3 265.259 3.467 20 0 CGADHM [O-]c1ccc(F)c(Nc2ccc(-c3nnco3)cc2)c1F ZINC001175269038 809333377 /nfs/dbraw/zinc/33/33/77/809333377.db2.gz YCMWRGRMFFALJZ-UHFFFAOYSA-N -1 3 289.241 3.464 20 0 CGADHM CN(C)c1ccc(Nc2cccc([O-])c2Cl)cn1 ZINC001175344815 809369017 /nfs/dbraw/zinc/36/90/17/809369017.db2.gz IIRGYSDKKPRQEW-UHFFFAOYSA-N -1 3 263.728 3.250 20 0 CGADHM CCCOc1ccccc1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175433508 809402893 /nfs/dbraw/zinc/40/28/93/809402893.db2.gz ZXZAPPHXUJRSTO-UHFFFAOYSA-N -1 3 295.346 3.399 20 0 CGADHM Cc1ccc(-c2noc(-c3cc(Cl)n[n-]3)n2)cc1 ZINC001213500766 815290986 /nfs/dbraw/zinc/29/09/86/815290986.db2.gz QOESUOKPIRCYBP-UHFFFAOYSA-N -1 3 260.684 3.089 20 0 CGADHM COC1([C@H](C)NC(=O)c2ccc(C(C)C)cc2[O-])CCC1 ZINC001299427627 809550656 /nfs/dbraw/zinc/55/06/56/809550656.db2.gz KNULJZUTXRLWDE-LBPRGKRZSA-N -1 3 291.391 3.203 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2cc([C@@H]3C[C@@H]3C)[nH]n2)c1 ZINC001299911246 809557760 /nfs/dbraw/zinc/55/77/60/809557760.db2.gz RULSITKDJUWZLK-GXSJLCMTSA-N -1 3 285.347 3.053 20 0 CGADHM COc1nscc1[N-]C(=O)c1cc2cc(F)ccc2o1 ZINC001303231411 809606003 /nfs/dbraw/zinc/60/60/03/809606003.db2.gz PYKNCOXUJMHAEZ-UHFFFAOYSA-N -1 3 292.291 3.289 20 0 CGADHM Cc1ccc(C(=O)Nc2cc(C)c(C)c(O)c2)c([O-])c1 ZINC001176269158 809658265 /nfs/dbraw/zinc/65/82/65/809658265.db2.gz WORCAERMXVOJOH-UHFFFAOYSA-N -1 3 271.316 3.275 20 0 CGADHM [O-]c1cccc2sc(Nc3csc(CO)c3)nc21 ZINC001176366729 809678967 /nfs/dbraw/zinc/67/89/67/809678967.db2.gz ZBRFEVCWLBJGEU-UHFFFAOYSA-N -1 3 278.358 3.299 20 0 CGADHM CC(C)(Cc1ccncc1)C(=O)Nc1ccc(F)c([O-])c1 ZINC001178252156 809855567 /nfs/dbraw/zinc/85/55/67/809855567.db2.gz ZKCQLAFNZGCXEC-UHFFFAOYSA-N -1 3 288.322 3.134 20 0 CGADHM CSc1ccc([O-])c(C(=O)NCC(C)(C)C2CC2)c1 ZINC001179378119 809918661 /nfs/dbraw/zinc/91/86/61/809918661.db2.gz PPZFLGJVMKAYRD-UHFFFAOYSA-N -1 3 279.405 3.280 20 0 CGADHM [O-]c1ccc(CN2CCc3c(F)cc(F)cc3C2)cc1F ZINC001180219990 809984521 /nfs/dbraw/zinc/98/45/21/809984521.db2.gz XAOFHPRZIYPOLR-UHFFFAOYSA-N -1 3 293.288 3.368 20 0 CGADHM CCCCOc1ccc(C(=O)NCC2(C)CC2)c([O-])c1 ZINC001182886626 810129379 /nfs/dbraw/zinc/12/93/79/810129379.db2.gz HJMISQWKILHQDA-UHFFFAOYSA-N -1 3 277.364 3.101 20 0 CGADHM CCc1ccc(C(C)(C)C(=O)Nc2cncc([O-])c2)cc1 ZINC001183505193 810150543 /nfs/dbraw/zinc/15/05/43/810150543.db2.gz JUTGUMILHLNSCC-UHFFFAOYSA-N -1 3 284.359 3.266 20 0 CGADHM Cc1c(Cl)cccc1NC(=O)Nc1cncc([O-])c1 ZINC001184649209 810213377 /nfs/dbraw/zinc/21/33/77/810213377.db2.gz FKJMDNOBBISRHH-UHFFFAOYSA-N -1 3 277.711 3.393 20 0 CGADHM CC(=O)c1cccc(NC(=O)NCC2CCCCC2)c1[O-] ZINC001186881020 810369900 /nfs/dbraw/zinc/36/99/00/810369900.db2.gz QYJHGSAWWAETOC-UHFFFAOYSA-N -1 3 290.363 3.297 20 0 CGADHM O=c1[n-]c(-c2nc(-c3cccc(Cl)c3)no2)ccc1F ZINC001214085683 815366052 /nfs/dbraw/zinc/36/60/52/815366052.db2.gz UVDGOVOEBQHPSB-UHFFFAOYSA-N -1 3 291.669 3.297 20 0 CGADHM Cc1cccc([O-])c1C(=O)Nc1cccc2c1OCCC2 ZINC001188655644 810500211 /nfs/dbraw/zinc/50/02/11/810500211.db2.gz SNQKHOKBODUDAP-UHFFFAOYSA-N -1 3 283.327 3.278 20 0 CGADHM Cc1cccc([O-])c1C(=O)Nc1ccccc1-c1cc[nH]n1 ZINC001188654807 810500586 /nfs/dbraw/zinc/50/05/86/810500586.db2.gz HBQWMNORPBVKLH-UHFFFAOYSA-N -1 3 293.326 3.343 20 0 CGADHM Cc1cccc(C(C)(C)CNC(=O)c2c(C)cccc2[O-])n1 ZINC001188658599 810500671 /nfs/dbraw/zinc/50/06/71/810500671.db2.gz KEEIAIGZIIHMEE-UHFFFAOYSA-N -1 3 298.386 3.112 20 0 CGADHM Cc1ccc(-c2ccccc2[N-]S(=O)(=O)CCCF)o1 ZINC001189916287 810594816 /nfs/dbraw/zinc/59/48/16/810594816.db2.gz VUBKYSZYVKFPPD-UHFFFAOYSA-N -1 3 297.351 3.356 20 0 CGADHM Cc1cccc(C(F)(F)F)c1[N-]S(=O)(=O)CCCF ZINC001189910689 810594926 /nfs/dbraw/zinc/59/49/26/810594926.db2.gz ACEHZXRSXIHRTG-UHFFFAOYSA-N -1 3 299.289 3.115 20 0 CGADHM N#C[N-]C(=O)c1c(Cl)cc(C(F)(F)F)cc1Cl ZINC001190020931 810603471 /nfs/dbraw/zinc/60/34/71/810603471.db2.gz ANQCMFHCUYSPEM-UHFFFAOYSA-N -1 3 283.036 3.223 20 0 CGADHM CC(C)(C)c1cc([N-]C(=O)Nc2ccccn2)on1 ZINC001191299399 810699305 /nfs/dbraw/zinc/69/93/05/810699305.db2.gz LKNWRVSNYZVBFU-UHFFFAOYSA-N -1 3 260.297 3.011 20 0 CGADHM CCCCCCNC(=O)Nc1ccc([O-])c(F)c1 ZINC001191972978 810760798 /nfs/dbraw/zinc/76/07/98/810760798.db2.gz YWDMUMCHKWPQBD-UHFFFAOYSA-N -1 3 254.305 3.233 20 0 CGADHM O=C(c1ccc([O-])cc1C(F)(F)F)N1C2CCC1CC2 ZINC001193746723 810946859 /nfs/dbraw/zinc/94/68/59/810946859.db2.gz ZIJYRARSHZMPRM-UHFFFAOYSA-N -1 3 285.265 3.178 20 0 CGADHM Cc1cc(O)cc([O-])c1C(=O)N[C@H]1C[C@@H](C)c2ccccc21 ZINC001193946612 810984680 /nfs/dbraw/zinc/98/46/80/810984680.db2.gz VUMYZZLIQRHRDY-BMIGLBTASA-N -1 3 297.354 3.385 20 0 CGADHM Nc1ccc2ncn(-c3cc(F)c([O-])c(Cl)c3)c2c1 ZINC001214488822 815417776 /nfs/dbraw/zinc/41/77/76/815417776.db2.gz MNCSSFCSVXEQQF-UHFFFAOYSA-N -1 3 277.686 3.106 20 0 CGADHM Cc1c(O)ccc(NC(=O)c2cnc(C(F)(F)F)[n-]2)c1C ZINC001194782032 811132032 /nfs/dbraw/zinc/13/20/32/811132032.db2.gz KJJUZSBVYBAUHY-UHFFFAOYSA-N -1 3 299.252 3.003 20 0 CGADHM [O-]c1cc(NC(=S)Nc2ccccc2F)ccc1F ZINC001195775548 811290902 /nfs/dbraw/zinc/29/09/02/811290902.db2.gz CKQPUGZQNCFOAH-UHFFFAOYSA-N -1 3 280.299 3.479 20 0 CGADHM C[C@H]1CCc2c(C(=O)Nc3cc([O-])cc(Cl)c3)n[nH]c21 ZINC001198454782 811505261 /nfs/dbraw/zinc/50/52/61/811505261.db2.gz WGCWDHUCSLPBRD-ZETCQYMHSA-N -1 3 291.738 3.071 20 0 CGADHM CC[C@H](C)NC(=S)Nc1ccc(C(F)(F)F)cc1[O-] ZINC001200481750 811700644 /nfs/dbraw/zinc/70/06/44/811700644.db2.gz FLLKNMPDIISMKN-ZETCQYMHSA-N -1 3 292.326 3.496 20 0 CGADHM [O-]c1ccc(NC(=S)NCc2ccco2)cc1Cl ZINC001200567289 811712774 /nfs/dbraw/zinc/71/27/74/811712774.db2.gz ATDYUVZJKVHMGY-UHFFFAOYSA-N -1 3 282.752 3.125 20 0 CGADHM COc1ccccc1NC(=O)Nc1ccc(F)c([O-])c1 ZINC001202125055 812019959 /nfs/dbraw/zinc/01/99/59/812019959.db2.gz PZQVKQGFDMOECD-UHFFFAOYSA-N -1 3 276.267 3.184 20 0 CGADHM O=C1CCc2c1cccc2-c1noc(-c2ccc([O-])cc2)n1 ZINC001215204395 815495032 /nfs/dbraw/zinc/49/50/32/815495032.db2.gz XFDKHEXNPAIFPS-UHFFFAOYSA-N -1 3 292.294 3.238 20 0 CGADHM COc1ccc([N-]c2nnco2)c(OCc2ccccc2)c1 ZINC001215218898 815495508 /nfs/dbraw/zinc/49/55/08/815495508.db2.gz QNBIRVROYBSGGG-UHFFFAOYSA-N -1 3 297.314 3.401 20 0 CGADHM COc1ccc(NC(=O)Nc2cc(F)ccc2[O-])cc1 ZINC001202394078 812083875 /nfs/dbraw/zinc/08/38/75/812083875.db2.gz HHETUZGMBFWLPT-UHFFFAOYSA-N -1 3 276.267 3.184 20 0 CGADHM COc1nccc(C)c1-c1noc(-c2ccc(C)cc2[O-])n1 ZINC001215297303 815504404 /nfs/dbraw/zinc/50/44/04/815504404.db2.gz WEWBNLFCESPGCO-UHFFFAOYSA-N -1 3 297.314 3.130 20 0 CGADHM Cc1ccc(-c2noc(-c3c([O-])cccc3O)n2)cc1C ZINC001215302111 815505083 /nfs/dbraw/zinc/50/50/83/815505083.db2.gz RRGHBAQRYQWOIE-UHFFFAOYSA-N -1 3 282.299 3.432 20 0 CGADHM Cc1nc(NC(=O)Nc2ccc(C)c(Cl)c2)cc(=O)[n-]1 ZINC001202800932 812178001 /nfs/dbraw/zinc/17/80/01/812178001.db2.gz RSZQAVBPFQZSHW-UHFFFAOYSA-N -1 3 292.726 3.096 20 0 CGADHM Cc1nc(Nc2cccnc2-c2ccccc2)cc(=O)[n-]1 ZINC001203647296 812414355 /nfs/dbraw/zinc/41/43/55/812414355.db2.gz BVTIKKFQAPTHSV-UHFFFAOYSA-N -1 3 278.315 3.296 20 0 CGADHM COc1cc(Nc2cc(F)c([O-])cc2F)c(C)cn1 ZINC001215572729 815538912 /nfs/dbraw/zinc/53/89/12/815538912.db2.gz SCRRTMXHIHANFU-UHFFFAOYSA-N -1 3 266.247 3.126 20 0 CGADHM Cc1cc(-c2nnn[n-]2)ccc1-c1cncc(C2CC2)c1 ZINC001204597051 812684119 /nfs/dbraw/zinc/68/41/19/812684119.db2.gz ADUDWZIIUUAJHK-UHFFFAOYSA-N -1 3 277.331 3.115 20 0 CGADHM Cc1cc(-c2nn[n-]n2)ccc1-c1cncc(C2CC2)c1 ZINC001204597051 812684123 /nfs/dbraw/zinc/68/41/23/812684123.db2.gz ADUDWZIIUUAJHK-UHFFFAOYSA-N -1 3 277.331 3.115 20 0 CGADHM COCOc1cc(C)ccc1[N-]c1nnc(C(C)C)o1 ZINC001205441398 812983895 /nfs/dbraw/zinc/98/38/95/812983895.db2.gz PMZWCWUZRIEIEG-UHFFFAOYSA-N -1 3 277.324 3.228 20 0 CGADHM O=c1c(-c2ccc([O-])cc2F)cccn1Cc1ccccc1 ZINC001206080256 813193437 /nfs/dbraw/zinc/19/34/37/813193437.db2.gz FNCTZYDSIIHMRV-UHFFFAOYSA-N -1 3 295.313 3.408 20 0 CGADHM Cc1cc(-c2nnn[n-]2)ccc1-c1cnc2sccc2c1 ZINC001242681226 823099374 /nfs/dbraw/zinc/09/93/74/823099374.db2.gz JKJPMVWVJOAFEW-UHFFFAOYSA-N -1 3 293.355 3.452 20 0 CGADHM Cc1cc(-c2nn[n-]n2)ccc1-c1cnc2sccc2c1 ZINC001242681226 823099381 /nfs/dbraw/zinc/09/93/81/823099381.db2.gz JKJPMVWVJOAFEW-UHFFFAOYSA-N -1 3 293.355 3.452 20 0 CGADHM Nc1n[nH]c2ccc(Nc3cccc([O-])c3Cl)cc12 ZINC001209862974 814174692 /nfs/dbraw/zinc/17/46/92/814174692.db2.gz WYCLZEVQTUJRTL-UHFFFAOYSA-N -1 3 274.711 3.248 20 0 CGADHM CN(C)Cc1ccccc1Nc1cc(F)cc(C(=O)[O-])c1 ZINC001209890833 814190671 /nfs/dbraw/zinc/19/06/71/814190671.db2.gz XNNYZSVCDYBNLN-UHFFFAOYSA-N -1 3 288.322 3.329 20 0 CGADHM Nc1cccc2c(Cl)nn(-c3cccc(F)c3[O-])c21 ZINC001210204692 814340212 /nfs/dbraw/zinc/34/02/12/814340212.db2.gz SYANMZOVEJMXQF-UHFFFAOYSA-N -1 3 277.686 3.106 20 0 CGADHM COC(=O)c1cc(Nc2cccc(Cl)c2[O-])ccc1O ZINC001210222233 814348280 /nfs/dbraw/zinc/34/82/80/814348280.db2.gz WEAIODIMOTWYOV-UHFFFAOYSA-N -1 3 293.706 3.281 20 0 CGADHM O=C1Cc2cc(F)cc(Nc3cccc(Cl)c3[O-])c2N1 ZINC001210223504 814350376 /nfs/dbraw/zinc/35/03/76/814350376.db2.gz XUPHRHSRVDRQAC-UHFFFAOYSA-N -1 3 292.697 3.423 20 0 CGADHM CC(C)n1nccc1Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001210517525 814504129 /nfs/dbraw/zinc/50/41/29/814504129.db2.gz WYMFGJJGXKTYDS-UHFFFAOYSA-N -1 3 283.335 3.099 20 0 CGADHM Fc1ccc(-c2nnn[n-]2)cc1-c1ccc2ccccc2n1 ZINC001242776978 823130092 /nfs/dbraw/zinc/13/00/92/823130092.db2.gz UABQYLXZLZASAV-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Fc1ccc(-c2nn[n-]n2)cc1-c1ccc2ccccc2n1 ZINC001242776978 823130098 /nfs/dbraw/zinc/13/00/98/823130098.db2.gz UABQYLXZLZASAV-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Cc1nc(-c2cc([O-])cc(C(F)(F)F)c2)nc2[nH]cnc21 ZINC001242780893 823131194 /nfs/dbraw/zinc/13/11/94/823131194.db2.gz WZQHPFFDRCKIES-UHFFFAOYSA-N -1 3 294.236 3.004 20 0 CGADHM CNC(=O)c1ccc(F)c(Nc2cccc([O-])c2Cl)c1 ZINC001210854817 814652099 /nfs/dbraw/zinc/65/20/99/814652099.db2.gz MCJRTLSBDSTGTB-UHFFFAOYSA-N -1 3 294.713 3.288 20 0 CGADHM O=C1NCCc2ccc(Nc3cccc([O-])c3Cl)cc21 ZINC001210854843 814652496 /nfs/dbraw/zinc/65/24/96/814652496.db2.gz MFYYBLSUSQZRMW-UHFFFAOYSA-N -1 3 288.734 3.075 20 0 CGADHM FC(F)(F)c1ccc([N-]c2ncco2)c(Cl)n1 ZINC001211197485 814846206 /nfs/dbraw/zinc/84/62/06/814846206.db2.gz APUBAOHSTIHZQL-UHFFFAOYSA-N -1 3 263.606 3.485 20 0 CGADHM O=c1cc(Nc2cnccc2Cl)[n-]n1-c1ccccc1 ZINC001211210425 814849662 /nfs/dbraw/zinc/84/96/62/814849662.db2.gz YLKIPIOBWNISIT-UHFFFAOYSA-N -1 3 286.722 3.370 20 0 CGADHM CC(=O)c1cc2c(cc1Nc1ccc(F)c([O-])c1)OCO2 ZINC001211217892 814853493 /nfs/dbraw/zinc/85/34/93/814853493.db2.gz GEMYYKRQYUJIEW-UHFFFAOYSA-N -1 3 289.262 3.206 20 0 CGADHM COCc1cc(OC)ccc1Nc1ncc(Cl)cc1[O-] ZINC001215976715 815647855 /nfs/dbraw/zinc/64/78/55/815647855.db2.gz MMGJUIROSUUXBG-UHFFFAOYSA-N -1 3 294.738 3.339 20 0 CGADHM CCc1cccc(C)c1-c1ccc(Cc2nnn[n-]2)cc1 ZINC001242817366 823143900 /nfs/dbraw/zinc/14/39/00/823143900.db2.gz OBQSPKXHOITFHH-UHFFFAOYSA-N -1 3 278.359 3.328 20 0 CGADHM CCc1cccc(C)c1-c1ccc(Cc2nn[n-]n2)cc1 ZINC001242817366 823143901 /nfs/dbraw/zinc/14/39/01/823143901.db2.gz OBQSPKXHOITFHH-UHFFFAOYSA-N -1 3 278.359 3.328 20 0 CGADHM O=c1[n-]cncc1Nc1cc(F)cc(N2CCCCC2)c1 ZINC001216179907 815723689 /nfs/dbraw/zinc/72/36/89/815723689.db2.gz LZGDNJFYWGDXSZ-UHFFFAOYSA-N -1 3 288.326 3.055 20 0 CGADHM Cc1c(F)cncc1Nc1ncc(Cl)cc1[O-] ZINC001216191370 815729112 /nfs/dbraw/zinc/72/91/12/815729112.db2.gz QCUIVLHMYODKTH-UHFFFAOYSA-N -1 3 253.664 3.027 20 0 CGADHM CCOc1cc(C)cc(F)c1Nc1cc(=O)[n-]c(C)n1 ZINC001216367549 815800411 /nfs/dbraw/zinc/80/04/11/815800411.db2.gz LWAUSPBDIMWQNZ-UHFFFAOYSA-N -1 3 277.299 3.080 20 0 CGADHM NC(=O)c1ccc(Nc2cc(F)c(F)cc2Cl)cc1[O-] ZINC001216372833 815800948 /nfs/dbraw/zinc/80/09/48/815800948.db2.gz QHYIVDWWKAHSGY-UHFFFAOYSA-N -1 3 298.676 3.166 20 0 CGADHM CCOc1ccc(Cl)cc1Nc1cc(=O)[n-]c(C)n1 ZINC001216446956 815832697 /nfs/dbraw/zinc/83/26/97/815832697.db2.gz JHIQYEHWDGLSEB-UHFFFAOYSA-N -1 3 279.727 3.286 20 0 CGADHM COCn1cc(Nc2cc(Cl)c([O-])cc2Cl)cn1 ZINC001216575872 815862453 /nfs/dbraw/zinc/86/24/53/815862453.db2.gz ZFUVWFQLEHWELR-UHFFFAOYSA-N -1 3 288.134 3.243 20 0 CGADHM CCn1ncc2cc([N-]c3nnc(C(C)C)o3)ccc21 ZINC001216588771 815867984 /nfs/dbraw/zinc/86/79/84/815867984.db2.gz NNNZQLVAMYRNOW-UHFFFAOYSA-N -1 3 271.324 3.306 20 0 CGADHM CCOc1cccc(-c2nc(-c3cccc(C)n3)no2)c1[O-] ZINC001216955876 815902664 /nfs/dbraw/zinc/90/26/64/815902664.db2.gz DSEOBYTWIWTKBM-UHFFFAOYSA-N -1 3 297.314 3.211 20 0 CGADHM CSc1ccccc1-c1cccc(-c2nnn[n-]2)c1 ZINC001242946936 823183720 /nfs/dbraw/zinc/18/37/20/823183720.db2.gz YTHJKATZRNWPHO-UHFFFAOYSA-N -1 3 268.345 3.256 20 0 CGADHM CSc1ccccc1-c1cccc(-c2nn[n-]n2)c1 ZINC001242946936 823183722 /nfs/dbraw/zinc/18/37/22/823183722.db2.gz YTHJKATZRNWPHO-UHFFFAOYSA-N -1 3 268.345 3.256 20 0 CGADHM [O-]c1cc(-c2cc(OCC3CC3)ccn2)ccc1F ZINC001243049009 823225476 /nfs/dbraw/zinc/22/54/76/823225476.db2.gz JWEXWSKBCRFZJC-UHFFFAOYSA-N -1 3 259.280 3.382 20 0 CGADHM COC(=O)c1noc2ccc(-c3ccc(F)c([O-])c3)cc21 ZINC001243049245 823226523 /nfs/dbraw/zinc/22/65/23/823226523.db2.gz DSPBQFVXTYJOIE-UHFFFAOYSA-N -1 3 287.246 3.126 20 0 CGADHM COC(OC)c1ccc(-c2ccc(F)c([O-])c2)cc1 ZINC001243052171 823228385 /nfs/dbraw/zinc/22/83/85/823228385.db2.gz YPEUIIOIQLRABF-UHFFFAOYSA-N -1 3 262.280 3.490 20 0 CGADHM CCCSc1cncc(-c2ccc(F)c([O-])c2)n1 ZINC001243051538 823228391 /nfs/dbraw/zinc/22/83/91/823228391.db2.gz VNMOWNJXTGBNHH-UHFFFAOYSA-N -1 3 264.325 3.490 20 0 CGADHM COC(=O)[C@@H](C)c1cccc(-c2ccc(F)c([O-])c2)c1 ZINC001243050929 823227666 /nfs/dbraw/zinc/22/76/66/823227666.db2.gz LKVZRQABSJWDBL-JTQLQIEISA-N -1 3 274.291 3.475 20 0 CGADHM COC(=O)[C@H](C)c1cccc(-c2ccc(F)c([O-])c2)c1 ZINC001243050930 823227820 /nfs/dbraw/zinc/22/78/20/823227820.db2.gz LKVZRQABSJWDBL-SNVBAGLBSA-N -1 3 274.291 3.475 20 0 CGADHM COC(=O)Nc1cccc(-c2ccc(F)c([O-])c2)c1 ZINC001243052498 823229264 /nfs/dbraw/zinc/22/92/64/823229264.db2.gz XVWLBKQWLCGTHJ-UHFFFAOYSA-N -1 3 261.252 3.377 20 0 CGADHM C[C@H](COc1ccc2c([O-])coc2c1)Oc1ccccc1 ZINC001225340309 817018460 /nfs/dbraw/zinc/01/84/60/817018460.db2.gz HWPRALVUGLYYKJ-GFCCVEGCSA-N -1 3 284.311 3.108 20 0 CGADHM COc1cccc([C@@H](C)Oc2ccc3c([O-])coc3c2)c1 ZINC001225343572 817019876 /nfs/dbraw/zinc/01/98/76/817019876.db2.gz YYICCKGVCOGAKG-LLVKDONJSA-N -1 3 284.311 3.410 20 0 CGADHM C[C@H]1CCCC[C@@H]1Oc1nc(=O)[n-]cc1C(F)(F)F ZINC001225577097 817097976 /nfs/dbraw/zinc/09/79/76/817097976.db2.gz SJGMSDNVQQUIMB-CBAPKCEASA-N -1 3 276.258 3.159 20 0 CGADHM CC[C@@H](Oc1nc(=O)[n-]cc1C(F)(F)F)C(C)(C)C ZINC001225580113 817099962 /nfs/dbraw/zinc/09/99/62/817099962.db2.gz UMWSVDXKZRZXQA-MRVPVSSYSA-N -1 3 278.274 3.405 20 0 CGADHM Cc1cc(C)nc(OC(=C([O-])c2ccco2)c2ccco2)n1 ZINC001225645466 817125864 /nfs/dbraw/zinc/12/58/64/817125864.db2.gz VZIOPQARMYGFRM-HNNXBMFYSA-N -1 3 298.298 3.282 20 0 CGADHM Cc1cccc2c1CC[C@@H]2Oc1[n-]c(=S)ncc1C ZINC001225742592 817164235 /nfs/dbraw/zinc/16/42/35/817164235.db2.gz NAUCHKZBQYQXJO-ZDUSSCGKSA-N -1 3 272.373 3.448 20 0 CGADHM CC(=O)c1ccc([O-])c(O[C@@H]2CCc3cccnc32)c1 ZINC001225994220 817241452 /nfs/dbraw/zinc/24/14/52/817241452.db2.gz LXUJCHVKYJFMPC-CQSZACIVSA-N -1 3 269.300 3.056 20 0 CGADHM COC(C)(C)C[C@@H](C)Oc1cc(C(C)=O)ccc1[O-] ZINC001225994881 817241994 /nfs/dbraw/zinc/24/19/94/817241994.db2.gz OUBOBWCLQLDPSY-SNVBAGLBSA-N -1 3 266.337 3.177 20 0 CGADHM CC(=O)c1ccc([O-])c(O[C@H](C)c2cccnc2)c1 ZINC001225992637 817242396 /nfs/dbraw/zinc/24/23/96/817242396.db2.gz AIJWBFUFZBDLJC-LLVKDONJSA-N -1 3 257.289 3.130 20 0 CGADHM CC(=O)c1ccc([O-])c(O[C@@H]2CCCn3cc(C)nc32)c1 ZINC001225995929 817243758 /nfs/dbraw/zinc/24/37/58/817243758.db2.gz VIJWKLZAJTUHFZ-CQSZACIVSA-N -1 3 286.331 3.014 20 0 CGADHM Cc1c(=O)[n-]cnc1O[C@@H](C)c1cccc(Cl)c1 ZINC001226075097 817266269 /nfs/dbraw/zinc/26/62/69/817266269.db2.gz FJFJXZCWOIZFHV-VIFPVBQESA-N -1 3 264.712 3.284 20 0 CGADHM CC(=O)c1cnc(=O)[n-]c1O[C@@H](C)c1ccc(Cl)cc1 ZINC001226236464 817306159 /nfs/dbraw/zinc/30/61/59/817306159.db2.gz AOXQNOGCEOHGHO-VIFPVBQESA-N -1 3 292.722 3.178 20 0 CGADHM CC(=O)c1cnc(=O)[n-]c1O[C@@H](C)c1cccc(Cl)c1 ZINC001226238344 817306700 /nfs/dbraw/zinc/30/67/00/817306700.db2.gz RJLXAYQDNUAORC-VIFPVBQESA-N -1 3 292.722 3.178 20 0 CGADHM CCCOc1ccccc1-c1ccc(Cc2nnn[n-]2)cc1 ZINC001243129209 823256053 /nfs/dbraw/zinc/25/60/53/823256053.db2.gz ZDCMUJOOMQILGH-UHFFFAOYSA-N -1 3 294.358 3.246 20 0 CGADHM CCCOc1ccccc1-c1ccc(Cc2nn[n-]n2)cc1 ZINC001243129209 823256055 /nfs/dbraw/zinc/25/60/55/823256055.db2.gz ZDCMUJOOMQILGH-UHFFFAOYSA-N -1 3 294.358 3.246 20 0 CGADHM CCC[C@H](Oc1cc(=O)[n-]c(C)n1)c1ccc(OC)cc1 ZINC001226512340 817381004 /nfs/dbraw/zinc/38/10/04/817381004.db2.gz PMTHEZNKLCNJAV-AWEZNQCLSA-N -1 3 288.347 3.419 20 0 CGADHM Cc1cc(=O)oc2cc([O-])c(O[C@H](C)C3CCC3)cc12 ZINC001226536341 817391924 /nfs/dbraw/zinc/39/19/24/817391924.db2.gz VXTKBNMNWJBPDS-SNVBAGLBSA-N -1 3 274.316 3.374 20 0 CGADHM C[C@@H](Oc1c([O-])ccc2ccc(=O)oc21)c1cccnc1 ZINC001226597610 817410010 /nfs/dbraw/zinc/41/00/10/817410010.db2.gz VLKHLQTZZAKHKV-SNVBAGLBSA-N -1 3 283.283 3.034 20 0 CGADHM CCOC(=O)[C@@H](CC(C)C)Oc1cccc([O-])c1Cl ZINC001226708496 817440604 /nfs/dbraw/zinc/44/06/04/817440604.db2.gz GLFJOYAZDFESTN-GFCCVEGCSA-N -1 3 286.755 3.402 20 0 CGADHM O=c1cc(O[C@@H]2CCc3cc(C(F)(F)F)ccc32)nc[n-]1 ZINC001226948568 817513760 /nfs/dbraw/zinc/51/37/60/817513760.db2.gz DQZHGJGXENMLHU-LLVKDONJSA-N -1 3 296.248 3.267 20 0 CGADHM CCc1cnc(=S)[n-]c1OC[C@H](C)Oc1ccccc1 ZINC001227061313 817546772 /nfs/dbraw/zinc/54/67/72/817546772.db2.gz GZSHCHXPEAVNDN-NSHDSACASA-N -1 3 290.388 3.174 20 0 CGADHM Cc1ccc(C)c2c1CCC[C@@H]2Oc1ccc(=O)[n-]n1 ZINC001227093774 817556085 /nfs/dbraw/zinc/55/60/85/817556085.db2.gz RSDFWGWCXAHXMW-ZDUSSCGKSA-N -1 3 270.332 3.255 20 0 CGADHM CCO[C@@H](C)COc1c([O-])cc(Br)cc1F ZINC001227590985 817677613 /nfs/dbraw/zinc/67/76/13/817677613.db2.gz MYQKTELHGFGFMR-ZETCQYMHSA-N -1 3 293.132 3.098 20 0 CGADHM Cc1ccc2c(c1)CC[C@@H]2Oc1[nH]c(=S)nc2nc[n-]c21 ZINC001227612663 817681381 /nfs/dbraw/zinc/68/13/81/817681381.db2.gz FQGWGVLAVDABRY-NSHDSACASA-N -1 3 298.371 3.016 20 0 CGADHM COC(=O)c1ccc([O-])c(O[C@@H]2CCCc3ccccc32)n1 ZINC001227819785 817726211 /nfs/dbraw/zinc/72/62/11/817726211.db2.gz HOHJZVMHOMMETA-OAHLLOKOSA-N -1 3 299.326 3.030 20 0 CGADHM Cc1cc(C(=O)[O-])ccc1-c1cncc2cc[nH]c21 ZINC001243203915 823288914 /nfs/dbraw/zinc/28/89/14/823288914.db2.gz RJYSFHCJPJZVLC-UHFFFAOYSA-N -1 3 252.273 3.237 20 0 CGADHM CCCc1c([O-])ccc(C(C)=O)c1OC[C@@H]1CCCO1 ZINC001228135128 817820024 /nfs/dbraw/zinc/82/00/24/817820024.db2.gz WEDGKGCNVGQTCS-LBPRGKRZSA-N -1 3 278.348 3.105 20 0 CGADHM CCCOC[C@H](C)Oc1c([O-])ccc2c(C)cc(=O)oc21 ZINC001228621571 817955866 /nfs/dbraw/zinc/95/58/66/817955866.db2.gz CQKOMASVJSCKSI-NSHDSACASA-N -1 3 292.331 3.001 20 0 CGADHM CC(C)[C@H]1CC[C@H](Oc2n[n-]c(-c3ccncc3)n2)CC1 ZINC001228700700 817979306 /nfs/dbraw/zinc/97/93/06/817979306.db2.gz WYCMEPDTPPULIK-MQMHXKEQSA-N -1 3 286.379 3.460 20 0 CGADHM C[C@@H](COc1cc2c(cc1[O-])CCC2=O)Oc1ccccc1 ZINC001228853933 818023223 /nfs/dbraw/zinc/02/32/23/818023223.db2.gz MTAQFYBRURTAEC-LBPRGKRZSA-N -1 3 298.338 3.367 20 0 CGADHM Cc1ccc([C@@H](C)Oc2cc3c(cc2[O-])CCC3=O)cn1 ZINC001228853825 818023642 /nfs/dbraw/zinc/02/36/42/818023642.db2.gz MDPASTVVMCSGMB-LLVKDONJSA-N -1 3 283.327 3.365 20 0 CGADHM C[C@@H](Oc1cc2c(cc1[O-])CCC2=O)c1nccs1 ZINC001228853937 818024264 /nfs/dbraw/zinc/02/42/64/818024264.db2.gz MTFWVEBEILMYSP-MRVPVSSYSA-N -1 3 275.329 3.118 20 0 CGADHM CSC1CCN(Cc2ccc(Cl)c([O-])c2)CC1 ZINC001231733729 818162328 /nfs/dbraw/zinc/16/23/28/818162328.db2.gz FGTBVITZOLORGN-UHFFFAOYSA-N -1 3 271.813 3.373 20 0 CGADHM CCOCC1CCN(Cc2cccc([O-])c2Cl)CC1 ZINC001232788743 818441799 /nfs/dbraw/zinc/44/17/99/818441799.db2.gz LLLHLFRSAFUGNO-UHFFFAOYSA-N -1 3 283.799 3.294 20 0 CGADHM [O-]c1c(F)ccc(CN2CCC[C@H]3CCC[C@@H]32)c1F ZINC001232934351 818474897 /nfs/dbraw/zinc/47/48/97/818474897.db2.gz FCJNZNSCGKLJMG-MFKMUULPSA-N -1 3 267.319 3.435 20 0 CGADHM CN(Cc1ccc(F)c([O-])c1F)CC1CC(F)(F)C1 ZINC001232934232 818475257 /nfs/dbraw/zinc/47/52/57/818475257.db2.gz CIBGNWUBRAZLDP-UHFFFAOYSA-N -1 3 277.261 3.148 20 0 CGADHM C[C@@H]1CCCN(Cc2ccc(F)c([O-])c2F)CC1 ZINC001232931280 818476212 /nfs/dbraw/zinc/47/62/12/818476212.db2.gz LPYCKHIDKUUCDB-SNVBAGLBSA-N -1 3 255.308 3.292 20 0 CGADHM CC[C@@H]1CCCN(Cc2ccc(F)c([O-])c2F)C1 ZINC001232937687 818477880 /nfs/dbraw/zinc/47/78/80/818477880.db2.gz QYIQMKMSDKLMJG-SNVBAGLBSA-N -1 3 255.308 3.292 20 0 CGADHM [O-]c1cc(CN2CC3CCC2CC3)cc(F)c1F ZINC001232972990 818488563 /nfs/dbraw/zinc/48/85/63/818488563.db2.gz JAQRSPASCLIZSV-UHFFFAOYSA-N -1 3 253.292 3.045 20 0 CGADHM Cc1ccc(CN(C)Cc2cc(Cl)ncc2[O-])cc1 ZINC001233037163 818505828 /nfs/dbraw/zinc/50/58/28/818505828.db2.gz YPKDWJINCRJHTR-UHFFFAOYSA-N -1 3 276.767 3.381 20 0 CGADHM COc1ccc(CN(C)Cc2cccc([O-])c2F)cc1 ZINC001233051403 818510848 /nfs/dbraw/zinc/51/08/48/818510848.db2.gz LZGIBOHTJVWFRD-UHFFFAOYSA-N -1 3 275.323 3.172 20 0 CGADHM CN(Cc1cccc([O-])c1F)Cc1cccc(F)c1F ZINC001233054234 818513105 /nfs/dbraw/zinc/51/31/05/818513105.db2.gz GNOUZZHEBCAQOS-UHFFFAOYSA-N -1 3 281.277 3.442 20 0 CGADHM [O-]c1cccc(CN(Cc2ccco2)C2CC2)c1F ZINC001233058183 818515291 /nfs/dbraw/zinc/51/52/91/818515291.db2.gz UVIFFUVUJSKCDR-UHFFFAOYSA-N -1 3 261.296 3.289 20 0 CGADHM C[C@@H]1[C@@H](C)CCCN1Cc1c(F)ccc([O-])c1F ZINC001233395581 818610248 /nfs/dbraw/zinc/61/02/48/818610248.db2.gz DHEVZYYXMYOROH-VHSXEESVSA-N -1 3 255.308 3.291 20 0 CGADHM Cc1cc([O-])c(Cl)cc1O[C@H]1CCOC[C@@H]1C ZINC001233596424 818653397 /nfs/dbraw/zinc/65/33/97/818653397.db2.gz XSQGQDHVHGBSCM-CABZTGNLSA-N -1 3 256.729 3.158 20 0 CGADHM [O-]c1coc2ccc(O[C@H](c3cccnc3)C3CC3)cc12 ZINC001233681301 818679050 /nfs/dbraw/zinc/67/90/50/818679050.db2.gz TYEODTLOWDYLGY-KRWDZBQOSA-N -1 3 281.311 3.187 20 0 CGADHM CCC[C@@H](Oc1cccc([O-])c1C(N)=O)[C@H](C)CC ZINC001234150523 818793441 /nfs/dbraw/zinc/79/34/41/818793441.db2.gz VNPNPRUADKYLAO-ZYHUDNBSSA-N -1 3 265.353 3.085 20 0 CGADHM CC(C)N1CC[C@@H](Oc2c(Cl)ccc([O-])c2F)C1 ZINC001234263503 818819752 /nfs/dbraw/zinc/81/97/52/818819752.db2.gz CEGDWWQACYFMPR-SECBINFHSA-N -1 3 273.735 3.046 20 0 CGADHM CC(C)[C@H](Oc1nc2c(cccc2[O-])[nH]1)C(F)(F)F ZINC001234445601 818855796 /nfs/dbraw/zinc/85/57/96/818855796.db2.gz AXGLITKIBXHFFH-JTQLQIEISA-N -1 3 274.242 3.234 20 0 CGADHM CCC[C@H](CC(=O)OC)Oc1c([O-])cc(Cl)cc1F ZINC001234448925 818859384 /nfs/dbraw/zinc/85/93/84/818859384.db2.gz YTUHFCCLBKHOJY-SECBINFHSA-N -1 3 290.718 3.295 20 0 CGADHM C[C@H](Oc1nc[n-]c(=O)c1-c1ccccc1)c1ccncc1 ZINC001234688563 818915469 /nfs/dbraw/zinc/91/54/69/818915469.db2.gz IMIGQYOSUZCAKO-LBPRGKRZSA-N -1 3 293.326 3.384 20 0 CGADHM COC(=O)C[C@@H]1CCC[C@@H](Oc2nc3ccsc3[n-]2)C1 ZINC001234846985 818932181 /nfs/dbraw/zinc/93/21/81/818932181.db2.gz GCWQGUWNGIOZEQ-NXEZZACHSA-N -1 3 294.376 3.125 20 0 CGADHM COC(=O)C[C@@H]1CCC[C@@H](Oc2nc3sccc3[n-]2)C1 ZINC001234846985 818932182 /nfs/dbraw/zinc/93/21/82/818932182.db2.gz GCWQGUWNGIOZEQ-NXEZZACHSA-N -1 3 294.376 3.125 20 0 CGADHM c1cc2nc(OC[C@@H]3Cc4ccccc4O3)[n-]c2s1 ZINC001234851088 818934093 /nfs/dbraw/zinc/93/40/93/818934093.db2.gz DLMRXPDEJSTPAO-JTQLQIEISA-N -1 3 272.329 3.007 20 0 CGADHM c1cc2[n-]c(OC[C@@H]3Cc4ccccc4O3)nc2s1 ZINC001234851088 818934095 /nfs/dbraw/zinc/93/40/95/818934095.db2.gz DLMRXPDEJSTPAO-JTQLQIEISA-N -1 3 272.329 3.007 20 0 CGADHM CCCOc1nccnc1-c1cc([O-])cc(Cl)c1 ZINC001235900968 819210513 /nfs/dbraw/zinc/21/05/13/819210513.db2.gz PLZSKIPCVFZIDC-UHFFFAOYSA-N -1 3 264.712 3.291 20 0 CGADHM [O-]c1cc(Cl)cc(-c2nccc(N3CCCCC3)n2)c1 ZINC001235900614 819210529 /nfs/dbraw/zinc/21/05/29/819210529.db2.gz YSGSIPPIHBNGQZ-UHFFFAOYSA-N -1 3 289.766 3.493 20 0 CGADHM CCN(C)c1cc(C)nc(-c2cc([O-])cc(Cl)c2)n1 ZINC001235900752 819210858 /nfs/dbraw/zinc/21/08/58/819210858.db2.gz XEAXSCTUVHRCFC-UHFFFAOYSA-N -1 3 277.755 3.267 20 0 CGADHM COC(=O)c1cnc(-c2cc([O-])cc(Cl)c2)cc1C ZINC001235901905 819211750 /nfs/dbraw/zinc/21/17/50/819211750.db2.gz YWSYVUABSGGABL-UHFFFAOYSA-N -1 3 277.707 3.203 20 0 CGADHM CC(C)Oc1ccc(F)c(-c2ccc(-c3nnn[n-]3)cc2)c1 ZINC001243446596 823407148 /nfs/dbraw/zinc/40/71/48/823407148.db2.gz VSYUIACXAVTTSX-UHFFFAOYSA-N -1 3 298.321 3.460 20 0 CGADHM CC(C)Oc1ccc(F)c(-c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001243446596 823407149 /nfs/dbraw/zinc/40/71/49/823407149.db2.gz VSYUIACXAVTTSX-UHFFFAOYSA-N -1 3 298.321 3.460 20 0 CGADHM COCOc1cnc(F)cc1-c1c(F)ccc(C)c1[O-] ZINC001236401741 819450913 /nfs/dbraw/zinc/45/09/13/819450913.db2.gz BLAWQOJKRQMWHE-UHFFFAOYSA-N -1 3 281.258 3.024 20 0 CGADHM Cc1cc([C@@H]2CCCN2Cc2ccc(F)c([O-])c2)no1 ZINC001236701014 819574762 /nfs/dbraw/zinc/57/47/62/819574762.db2.gz AKFNHGAZUMSCQA-AWEZNQCLSA-N -1 3 276.311 3.165 20 0 CGADHM Cc1cccc2c1CN(Cc1ccc(F)c([O-])c1)C2 ZINC001236703664 819577261 /nfs/dbraw/zinc/57/72/61/819577261.db2.gz PMTCCXYIDNOOIB-UHFFFAOYSA-N -1 3 257.308 3.356 20 0 CGADHM Cc1ccc2c(c1)CCN(Cc1ccc(F)c([O-])c1)C2 ZINC001236714682 819580095 /nfs/dbraw/zinc/58/00/95/819580095.db2.gz WEAFQFXTEXXCLN-UHFFFAOYSA-N -1 3 271.335 3.398 20 0 CGADHM CN(Cc1nc2ccccc2o1)Cc1ccc(F)c([O-])c1 ZINC001236711874 819580875 /nfs/dbraw/zinc/58/08/75/819580875.db2.gz XXVUOMKVQHITNJ-UHFFFAOYSA-N -1 3 286.306 3.305 20 0 CGADHM [O-]c1cc(F)cc(CN2CCCCC(F)(F)C2)c1 ZINC001237285077 819717438 /nfs/dbraw/zinc/71/74/38/819717438.db2.gz MPMTTZJXHVNDBG-UHFFFAOYSA-N -1 3 259.271 3.153 20 0 CGADHM CCOC(=O)c1cc(-c2cccc([O-])c2F)ncc1C ZINC001243540974 823435929 /nfs/dbraw/zinc/43/59/29/823435929.db2.gz AXVAPWNRQXNYJX-UHFFFAOYSA-N -1 3 275.279 3.078 20 0 CGADHM [O-]c1cccc(-c2ccc3c(c2)CCC32OCCO2)c1F ZINC001243548956 823440912 /nfs/dbraw/zinc/44/09/12/823440912.db2.gz MAUWSHHGGOHFTA-UHFFFAOYSA-N -1 3 286.302 3.344 20 0 CGADHM Cc1cc(C(F)(F)F)c(-c2cccc([O-])c2F)nn1 ZINC001243544885 823437272 /nfs/dbraw/zinc/43/72/72/823437272.db2.gz XXTUEUARJJFMKN-UHFFFAOYSA-N -1 3 272.201 3.316 20 0 CGADHM O=c1c(-c2cccc([O-])c2F)cccn1-c1ccccc1 ZINC001243545510 823438321 /nfs/dbraw/zinc/43/83/21/823438321.db2.gz DDDVNCJHWUOBJE-UHFFFAOYSA-N -1 3 281.286 3.349 20 0 CGADHM [O-]c1cc(F)c(CN2CCC3(C2)CCOCC3)cc1Cl ZINC001238151421 819943362 /nfs/dbraw/zinc/94/33/62/819943362.db2.gz DWVYQRLLDVHITK-UHFFFAOYSA-N -1 3 299.773 3.187 20 0 CGADHM Cc1ccc(-c2ccc(-c3nnn[n-]3)c(F)c2)c(C)c1 ZINC001239811493 820626202 /nfs/dbraw/zinc/62/62/02/820626202.db2.gz YJSRGDBBIWJCGF-UHFFFAOYSA-N -1 3 268.295 3.290 20 0 CGADHM Cc1ccc(-c2ccc(-c3nn[n-]n3)c(F)c2)c(C)c1 ZINC001239811493 820626206 /nfs/dbraw/zinc/62/62/06/820626206.db2.gz YJSRGDBBIWJCGF-UHFFFAOYSA-N -1 3 268.295 3.290 20 0 CGADHM Fc1cc(-c2cncc3ccccc32)ccc1-c1nnn[n-]1 ZINC001239946901 820728240 /nfs/dbraw/zinc/72/82/40/820728240.db2.gz JWRUACGKEATGBN-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Fc1cc(-c2cncc3ccccc32)ccc1-c1nn[n-]n1 ZINC001239946901 820728242 /nfs/dbraw/zinc/72/82/42/820728242.db2.gz JWRUACGKEATGBN-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM CN1CCN(Cc2cccc(-c3cccc([S-])c3)c2)CC1 ZINC001240292685 820940747 /nfs/dbraw/zinc/94/07/47/820940747.db2.gz FXQKDDDLROCWIU-UHFFFAOYSA-N -1 3 298.455 3.390 20 0 CGADHM Fc1ccc(-c2ccc3occc3c2)cc1-c1nnn[n-]1 ZINC001240425233 821045468 /nfs/dbraw/zinc/04/54/68/821045468.db2.gz CSGHJVDLKKDLIF-UHFFFAOYSA-N -1 3 280.262 3.419 20 0 CGADHM Fc1ccc(-c2ccc3occc3c2)cc1-c1nn[n-]n1 ZINC001240425233 821045477 /nfs/dbraw/zinc/04/54/77/821045477.db2.gz CSGHJVDLKKDLIF-UHFFFAOYSA-N -1 3 280.262 3.419 20 0 CGADHM COc1ccc(-c2nnn[n-]2)cc1-c1cc(C)sc1C ZINC001240430979 821051617 /nfs/dbraw/zinc/05/16/17/821051617.db2.gz LYIVWVDNIKVPBU-UHFFFAOYSA-N -1 3 286.360 3.221 20 0 CGADHM COc1ccc(-c2nn[n-]n2)cc1-c1cc(C)sc1C ZINC001240430979 821051627 /nfs/dbraw/zinc/05/16/27/821051627.db2.gz LYIVWVDNIKVPBU-UHFFFAOYSA-N -1 3 286.360 3.221 20 0 CGADHM Cc1sccc1-c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001240501299 821098776 /nfs/dbraw/zinc/09/87/76/821098776.db2.gz PFFNETDACJSAOT-UHFFFAOYSA-N -1 3 260.297 3.043 20 0 CGADHM Cc1sccc1-c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001240501299 821098787 /nfs/dbraw/zinc/09/87/87/821098787.db2.gz PFFNETDACJSAOT-UHFFFAOYSA-N -1 3 260.297 3.043 20 0 CGADHM COc1cc(-c2ccc3c(c2)[N-]C(=S)C3)ccc1O ZINC001240619296 821194514 /nfs/dbraw/zinc/19/45/14/821194514.db2.gz LZPSFBQCKZGLDP-UHFFFAOYSA-N -1 3 271.341 3.363 20 0 CGADHM Cc1ccc(-c2cccc3[nH]ccc32)cc1-c1nnn[n-]1 ZINC001240713953 821269120 /nfs/dbraw/zinc/26/91/20/821269120.db2.gz JXBOOTGXKVIHOY-UHFFFAOYSA-N -1 3 275.315 3.323 20 0 CGADHM Cc1ccc(-c2cccc3[nH]ccc32)cc1-c1nn[n-]n1 ZINC001240713953 821269126 /nfs/dbraw/zinc/26/91/26/821269126.db2.gz JXBOOTGXKVIHOY-UHFFFAOYSA-N -1 3 275.315 3.323 20 0 CGADHM Cc1c(F)cccc1-c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001240732283 821286164 /nfs/dbraw/zinc/28/61/64/821286164.db2.gz HTHHDCILARYKAR-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM Cc1c(F)cccc1-c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001240732283 821286173 /nfs/dbraw/zinc/28/61/73/821286173.db2.gz HTHHDCILARYKAR-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM [O-]c1ccc(-c2ccccc2CN2CCOCC2)cc1F ZINC001240786549 821327159 /nfs/dbraw/zinc/32/71/59/821327159.db2.gz MMKWFMIXORXNEE-UHFFFAOYSA-N -1 3 287.334 3.031 20 0 CGADHM COc1cc(-c2ccc([O-])c(F)c2)c(NC(C)=O)cc1C ZINC001240788551 821330304 /nfs/dbraw/zinc/33/03/04/821330304.db2.gz HXYUTAKQKWWBHD-UHFFFAOYSA-N -1 3 289.306 3.474 20 0 CGADHM CC(C)Cn1ccc(-c2ccc([O-])c(F)c2)cc1=O ZINC001240790066 821332573 /nfs/dbraw/zinc/33/25/73/821332573.db2.gz JESDEBDPBDEUHY-UHFFFAOYSA-N -1 3 261.296 3.016 20 0 CGADHM COc1c(F)ccc(-c2ccc([O-])c(F)c2)c1OC ZINC001240790992 821333644 /nfs/dbraw/zinc/33/36/44/821333644.db2.gz UXDGYSHYHNSVOE-UHFFFAOYSA-N -1 3 266.243 3.355 20 0 CGADHM O=c1cc(-c2ccc([O-])c(F)c2)ccn1-c1ccc(F)cc1 ZINC001240790953 821334193 /nfs/dbraw/zinc/33/41/93/821334193.db2.gz RZSCKDATPBSLOG-UHFFFAOYSA-N -1 3 299.276 3.488 20 0 CGADHM Cc1cc(-c2nnn[n-]2)ccc1-c1ccc(OC(C)C)nc1 ZINC001240810087 821352268 /nfs/dbraw/zinc/35/22/68/821352268.db2.gz LSRXTTAIELLGDX-UHFFFAOYSA-N -1 3 295.346 3.024 20 0 CGADHM Cc1cc(-c2nn[n-]n2)ccc1-c1ccc(OC(C)C)nc1 ZINC001240810087 821352278 /nfs/dbraw/zinc/35/22/78/821352278.db2.gz LSRXTTAIELLGDX-UHFFFAOYSA-N -1 3 295.346 3.024 20 0 CGADHM c1ccc(-c2cccc3ncccc32)c(-c2nnn[n-]2)c1 ZINC001240936856 821427270 /nfs/dbraw/zinc/42/72/70/821427270.db2.gz AJURYYXHDMOFRA-UHFFFAOYSA-N -1 3 273.299 3.082 20 0 CGADHM c1ccc(-c2cccc3ncccc32)c(-c2nn[n-]n2)c1 ZINC001240936856 821427276 /nfs/dbraw/zinc/42/72/76/821427276.db2.gz AJURYYXHDMOFRA-UHFFFAOYSA-N -1 3 273.299 3.082 20 0 CGADHM [O-]c1ccccc1-c1ncnc2cc(F)c(F)cc21 ZINC001241002297 821481071 /nfs/dbraw/zinc/48/10/71/821481071.db2.gz YWHSVYXBGQRRIG-UHFFFAOYSA-N -1 3 258.227 3.281 20 0 CGADHM Cc1ccc(-c2ncccc2C(=O)N2CCCCC2)c([O-])c1 ZINC001241028867 821504171 /nfs/dbraw/zinc/50/41/71/821504171.db2.gz UVLBTPPEGYSTGZ-UHFFFAOYSA-N -1 3 296.370 3.389 20 0 CGADHM COC(=O)c1cc2ccncc2nc1-c1ccc(C)cc1[O-] ZINC001241030066 821505382 /nfs/dbraw/zinc/50/53/82/821505382.db2.gz BOUSZDDAOPBLNN-UHFFFAOYSA-N -1 3 294.310 3.097 20 0 CGADHM Cc1ccc(-c2ccc(-c3ccccn3)nn2)c([O-])c1 ZINC001241036380 821511688 /nfs/dbraw/zinc/51/16/88/821511688.db2.gz WKCKHNNAAKFMSH-UHFFFAOYSA-N -1 3 263.300 3.220 20 0 CGADHM Fc1cc(F)c(F)c(-c2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC001241094467 821555310 /nfs/dbraw/zinc/55/53/10/821555310.db2.gz ONLSGLHQKKSNEB-UHFFFAOYSA-N -1 3 294.211 3.090 20 0 CGADHM Fc1cc(F)c(F)c(-c2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC001241094467 821555316 /nfs/dbraw/zinc/55/53/16/821555316.db2.gz ONLSGLHQKKSNEB-UHFFFAOYSA-N -1 3 294.211 3.090 20 0 CGADHM Cc1cc(-c2nnn[n-]2)ccc1-c1cc(F)c(F)cc1F ZINC001241114169 821568661 /nfs/dbraw/zinc/56/86/61/821568661.db2.gz XONFQDNVASVBAJ-UHFFFAOYSA-N -1 3 290.248 3.259 20 0 CGADHM Cc1cc(-c2nn[n-]n2)ccc1-c1cc(F)c(F)cc1F ZINC001241114169 821568666 /nfs/dbraw/zinc/56/86/66/821568666.db2.gz XONFQDNVASVBAJ-UHFFFAOYSA-N -1 3 290.248 3.259 20 0 CGADHM CCOC(=O)c1cnc(-c2cc([O-])cc(F)c2)c(C)c1 ZINC001241257211 821676986 /nfs/dbraw/zinc/67/69/86/821676986.db2.gz HWCGHYPCQUANLY-UHFFFAOYSA-N -1 3 275.279 3.078 20 0 CGADHM Cc1nc2ccccc2c(-c2cc([O-])cc(F)c2)n1 ZINC001241257968 821678133 /nfs/dbraw/zinc/67/81/33/821678133.db2.gz QPIWKVCYXQHYIG-UHFFFAOYSA-N -1 3 254.264 3.450 20 0 CGADHM C[C@H]1CCCN(c2cc(-c3cc([O-])cc(F)c3)ncn2)C1 ZINC001241261165 821680378 /nfs/dbraw/zinc/68/03/78/821680378.db2.gz FWJSBUSJFGKRAH-NSHDSACASA-N -1 3 287.338 3.225 20 0 CGADHM CCOC(=O)Cc1ccnc(-c2cc([O-])cc(F)c2)c1C ZINC001241263183 821682790 /nfs/dbraw/zinc/68/27/90/821682790.db2.gz ZGSJJIOGIZQBSD-UHFFFAOYSA-N -1 3 289.306 3.007 20 0 CGADHM O=C1CCc2c(cccc2-c2cc([O-])cc(F)c2)N1 ZINC001241271159 821690327 /nfs/dbraw/zinc/69/03/27/821690327.db2.gz LYZDUOVULMAWAM-UHFFFAOYSA-N -1 3 257.264 3.083 20 0 CGADHM [O-]c1cc(F)cc(-c2cccc(CN3CCOCC3)c2)c1 ZINC001241271903 821691606 /nfs/dbraw/zinc/69/16/06/821691606.db2.gz VOTXEFBTMLWQAB-UHFFFAOYSA-N -1 3 287.334 3.031 20 0 CGADHM Cc1cc2c(cc1-c1cc([O-])cc(F)c1)CC(=O)N2 ZINC001241278008 821696457 /nfs/dbraw/zinc/69/64/57/821696457.db2.gz SWYBKDPVEQDRLV-UHFFFAOYSA-N -1 3 257.264 3.001 20 0 CGADHM CC(C)Cn1cccc(-c2cc([O-])cc(F)c2)c1=O ZINC001241280089 821698965 /nfs/dbraw/zinc/69/89/65/821698965.db2.gz CRNNYUZUOWQYPA-UHFFFAOYSA-N -1 3 261.296 3.016 20 0 CGADHM COc1cc(F)c(-c2c(F)ccc([O-])c2F)c(OC)c1 ZINC001241292516 821709217 /nfs/dbraw/zinc/70/92/17/821709217.db2.gz DFVZBYZQERXPCT-UHFFFAOYSA-N -1 3 284.233 3.494 20 0 CGADHM O=C1Nc2c(cccc2-c2c(F)ccc([O-])c2F)C12CC2 ZINC001241292978 821711578 /nfs/dbraw/zinc/71/15/78/821711578.db2.gz LSTYZGYDNHEJKF-UHFFFAOYSA-N -1 3 287.265 3.321 20 0 CGADHM Cn1cnc(-c2ccc(-c3c(F)ccc([O-])c3F)cc2)n1 ZINC001241294205 821712052 /nfs/dbraw/zinc/71/20/52/821712052.db2.gz XNWBHZHDRVPZBN-UHFFFAOYSA-N -1 3 287.269 3.133 20 0 CGADHM CCOCc1cncc(-c2c(F)ccc([O-])c2F)c1 ZINC001241295175 821712548 /nfs/dbraw/zinc/71/25/48/821712548.db2.gz HSXJTQGLMZCALF-UHFFFAOYSA-N -1 3 265.259 3.269 20 0 CGADHM COC(=N)c1cccc(-c2c(F)ccc([O-])c2F)c1 ZINC001241293726 821712901 /nfs/dbraw/zinc/71/29/01/821712901.db2.gz LXRKBZAVJQUMAR-UHFFFAOYSA-N -1 3 263.243 3.309 20 0 CGADHM Nc1nc2cc(-c3ccc(C(=O)[O-])c(Cl)c3)ccc2[nH]1 ZINC001241349786 821752558 /nfs/dbraw/zinc/75/25/58/821752558.db2.gz NSAXCWZYDKYXBG-UHFFFAOYSA-N -1 3 287.706 3.164 20 0 CGADHM Nc1nc2ccc(-c3ccc(C(=O)[O-])c(Cl)c3)cc2[nH]1 ZINC001241349786 821752565 /nfs/dbraw/zinc/75/25/65/821752565.db2.gz NSAXCWZYDKYXBG-UHFFFAOYSA-N -1 3 287.706 3.164 20 0 CGADHM c1cc(-c2ccc(-c3nnn[n-]3)cc2)cc(C2CC2)c1 ZINC001241443640 821837876 /nfs/dbraw/zinc/83/78/76/821837876.db2.gz JCRDVDRCNOLJGD-UHFFFAOYSA-N -1 3 262.316 3.411 20 0 CGADHM c1cc(-c2ccc(-c3nn[n-]n3)cc2)cc(C2CC2)c1 ZINC001241443640 821837885 /nfs/dbraw/zinc/83/78/85/821837885.db2.gz JCRDVDRCNOLJGD-UHFFFAOYSA-N -1 3 262.316 3.411 20 0 CGADHM COc1cc(-c2ccc(-c3nnn[n-]3)cc2)cc2[nH]ccc21 ZINC001241444466 821838094 /nfs/dbraw/zinc/83/80/94/821838094.db2.gz CCWRKBFTTCOFLS-UHFFFAOYSA-N -1 3 291.314 3.024 20 0 CGADHM COc1cc(-c2ccc(-c3nn[n-]n3)cc2)cc2[nH]ccc21 ZINC001241444466 821838100 /nfs/dbraw/zinc/83/81/00/821838100.db2.gz CCWRKBFTTCOFLS-UHFFFAOYSA-N -1 3 291.314 3.024 20 0 CGADHM CC(C)Oc1ccc(F)cc1-c1ccc(-c2nnn[n-]2)cc1 ZINC001241443609 821839183 /nfs/dbraw/zinc/83/91/83/821839183.db2.gz HWWBCLFXKVAJGG-UHFFFAOYSA-N -1 3 298.321 3.460 20 0 CGADHM CC(C)Oc1ccc(F)cc1-c1ccc(-c2nn[n-]n2)cc1 ZINC001241443609 821839189 /nfs/dbraw/zinc/83/91/89/821839189.db2.gz HWWBCLFXKVAJGG-UHFFFAOYSA-N -1 3 298.321 3.460 20 0 CGADHM CCOc1cc(-c2ccc(-c3nnn[n-]3)cc2)ccc1C ZINC001241446173 821840710 /nfs/dbraw/zinc/84/07/10/821840710.db2.gz OHTQMQMYBKJGER-UHFFFAOYSA-N -1 3 280.331 3.241 20 0 CGADHM CCOc1cc(-c2ccc(-c3nn[n-]n3)cc2)ccc1C ZINC001241446173 821840713 /nfs/dbraw/zinc/84/07/13/821840713.db2.gz OHTQMQMYBKJGER-UHFFFAOYSA-N -1 3 280.331 3.241 20 0 CGADHM Fc1ccc2c(cncc2-c2ccc(-c3nnn[n-]3)cc2)c1 ZINC001241445583 821840735 /nfs/dbraw/zinc/84/07/35/821840735.db2.gz TVUGOZLWRLMXAP-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Fc1ccc2c(cncc2-c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001241445583 821840745 /nfs/dbraw/zinc/84/07/45/821840745.db2.gz TVUGOZLWRLMXAP-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Cc1c[nH]c2c1cccc2-c1ccc(-c2nnn[n-]2)cc1 ZINC001241445644 821841295 /nfs/dbraw/zinc/84/12/95/821841295.db2.gz RXTFBLOJMFEBOE-UHFFFAOYSA-N -1 3 275.315 3.323 20 0 CGADHM Cc1c[nH]c2c1cccc2-c1ccc(-c2nn[n-]n2)cc1 ZINC001241445644 821841302 /nfs/dbraw/zinc/84/13/02/821841302.db2.gz RXTFBLOJMFEBOE-UHFFFAOYSA-N -1 3 275.315 3.323 20 0 CGADHM Cc1nc(OC(C)C)ccc1-c1ccc(-c2nnn[n-]2)cc1 ZINC001241445568 821841354 /nfs/dbraw/zinc/84/13/54/821841354.db2.gz SMCDHIBQMLICAF-UHFFFAOYSA-N -1 3 295.346 3.024 20 0 CGADHM Cc1nc(OC(C)C)ccc1-c1ccc(-c2nn[n-]n2)cc1 ZINC001241445568 821841364 /nfs/dbraw/zinc/84/13/64/821841364.db2.gz SMCDHIBQMLICAF-UHFFFAOYSA-N -1 3 295.346 3.024 20 0 CGADHM CC1(C)Oc2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc2O1 ZINC001241445490 821841689 /nfs/dbraw/zinc/84/16/89/821841689.db2.gz PLXICIPIBNDXPT-UHFFFAOYSA-N -1 3 294.314 3.041 20 0 CGADHM CC1(C)Oc2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc2O1 ZINC001241445490 821841693 /nfs/dbraw/zinc/84/16/93/821841693.db2.gz PLXICIPIBNDXPT-UHFFFAOYSA-N -1 3 294.314 3.041 20 0 CGADHM CCOc1cc(C)ccc1-c1ccc(-c2nnn[n-]2)cc1 ZINC001241446384 821843400 /nfs/dbraw/zinc/84/34/00/821843400.db2.gz DYELQUXUUGZOJZ-UHFFFAOYSA-N -1 3 280.331 3.241 20 0 CGADHM CCOc1cc(C)ccc1-c1ccc(-c2nn[n-]n2)cc1 ZINC001241446384 821843407 /nfs/dbraw/zinc/84/34/07/821843407.db2.gz DYELQUXUUGZOJZ-UHFFFAOYSA-N -1 3 280.331 3.241 20 0 CGADHM Cc1cscc1-c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001241731160 822109829 /nfs/dbraw/zinc/10/98/29/822109829.db2.gz OZARYCHSDHSKLC-UHFFFAOYSA-N -1 3 260.297 3.043 20 0 CGADHM Cc1cscc1-c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001241731160 822109834 /nfs/dbraw/zinc/10/98/34/822109834.db2.gz OZARYCHSDHSKLC-UHFFFAOYSA-N -1 3 260.297 3.043 20 0 CGADHM Nc1ccnc2cc(-c3cc(F)cc(C(=O)[O-])c3)ccc12 ZINC001241835786 822171636 /nfs/dbraw/zinc/17/16/36/822171636.db2.gz WCLJNNAHLWOEDH-UHFFFAOYSA-N -1 3 282.274 3.321 20 0 CGADHM CO[C@H](C)c1cccc(-c2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC001242037162 822298820 /nfs/dbraw/zinc/29/88/20/822298820.db2.gz MYEHWVYEBBBLGP-SNVBAGLBSA-N -1 3 298.321 3.380 20 0 CGADHM CO[C@H](C)c1cccc(-c2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC001242037162 822298826 /nfs/dbraw/zinc/29/88/26/822298826.db2.gz MYEHWVYEBBBLGP-SNVBAGLBSA-N -1 3 298.321 3.380 20 0 CGADHM COc1ccc(-c2ccc(F)cc2[O-])c(OC)c1OC ZINC001242219477 822915527 /nfs/dbraw/zinc/91/55/27/822915527.db2.gz GYEFATGNWNBJSG-UHFFFAOYSA-N -1 3 278.279 3.224 20 0 CGADHM COC(=O)/C=C\c1ccc(-c2ccc(F)cc2[O-])cc1 ZINC001242219804 822916455 /nfs/dbraw/zinc/91/64/55/822916455.db2.gz RNKHQPYNQKFNGD-WTKPLQERSA-N -1 3 272.275 3.385 20 0 CGADHM C=CC(=O)Oc1ccc(-c2ccc(F)cc2[O-])cc1 ZINC001242221007 822916850 /nfs/dbraw/zinc/91/68/50/822916850.db2.gz HNUHRLUPCXXOJL-UHFFFAOYSA-N -1 3 258.248 3.290 20 0 CGADHM CC1(C)Cc2ccc(-c3ccc(F)cc3[O-])cc2C(=O)N1 ZINC001242221580 822917556 /nfs/dbraw/zinc/91/75/56/822917556.db2.gz NKQVUUVSSFELDB-UHFFFAOYSA-N -1 3 285.318 3.263 20 0 CGADHM Cc1c(F)c(F)ccc1-c1cccc(-c2nnn[n-]2)c1 ZINC001242307109 822946580 /nfs/dbraw/zinc/94/65/80/822946580.db2.gz FQMATWXWZBNSMO-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM Cc1c(F)c(F)ccc1-c1cccc(-c2nn[n-]n2)c1 ZINC001242307109 822946581 /nfs/dbraw/zinc/94/65/81/822946581.db2.gz FQMATWXWZBNSMO-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM [O-]c1c(F)cccc1-c1cccc(CN2CCOCC2)c1 ZINC001242351512 822960958 /nfs/dbraw/zinc/96/09/58/822960958.db2.gz XUJHKMWCDGWRJF-UHFFFAOYSA-N -1 3 287.334 3.031 20 0 CGADHM C[C@H]1C(=O)Nc2cc(-c3cccc(F)c3[O-])ccc21 ZINC001242350896 822961107 /nfs/dbraw/zinc/96/11/07/822961107.db2.gz KSKFSKHADGHZPJ-MRVPVSSYSA-N -1 3 257.264 3.254 20 0 CGADHM O=c1cc(-c2cccc(F)c2[O-])ccn1Cc1ccccc1 ZINC001242352662 822962634 /nfs/dbraw/zinc/96/26/34/822962634.db2.gz MKANTNDNSJMBDI-UHFFFAOYSA-N -1 3 295.313 3.408 20 0 CGADHM Fc1cc(-c2cccc3ccncc32)ccc1-c1nnn[n-]1 ZINC001242373371 822972154 /nfs/dbraw/zinc/97/21/54/822972154.db2.gz ZQZFNKJMMHUAKF-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Fc1cc(-c2cccc3ccncc32)ccc1-c1nn[n-]n1 ZINC001242373371 822972155 /nfs/dbraw/zinc/97/21/55/822972155.db2.gz ZQZFNKJMMHUAKF-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Cc1ccc(-c2ccc3c(c2)[N-]C(=S)C3)cc1CO ZINC001242389553 822978908 /nfs/dbraw/zinc/97/89/08/822978908.db2.gz XZPOSAQLLRCMQZ-UHFFFAOYSA-N -1 3 269.369 3.450 20 0 CGADHM Cc1ccc([O-])c(C(=O)N(C)c2cccc3c2CCCN3)c1 ZINC001338985018 936342759 /nfs/dbraw/zinc/34/27/59/936342759.db2.gz ZEGDPACTSRJFAJ-UHFFFAOYSA-N -1 3 296.370 3.335 20 0 CGADHM CCCc1nc(C)c(C(=O)[N-]c2cnoc2C(C)C)o1 ZINC001339138973 936353851 /nfs/dbraw/zinc/35/38/51/936353851.db2.gz AFTAMMOYRVSETR-UHFFFAOYSA-N -1 3 277.324 3.299 20 0 CGADHM O=C([N-]c1nncs1)c1cc2sccc2nc1Cl ZINC001352742670 937048250 /nfs/dbraw/zinc/04/82/50/937048250.db2.gz LNIMTUIPMTWXSI-UHFFFAOYSA-N -1 3 296.764 3.054 20 0 CGADHM O=c1nc(Cl)cc(Sc2ccc(F)cc2F)[n-]1 ZINC001413880811 937199567 /nfs/dbraw/zinc/19/95/67/937199567.db2.gz RJYARNCKHRAFTE-UHFFFAOYSA-N -1 3 274.679 3.265 20 0 CGADHM O=C(NCc1ccc(F)cn1)c1cc([O-])c2ccccc2c1 ZINC000354969079 927942315 /nfs/dbraw/zinc/94/23/15/927942315.db2.gz HNXYWMGZXBEMEY-UHFFFAOYSA-N -1 3 296.301 3.010 20 0 CGADHM Cc1nc(C(=O)[N-]c2c(F)cc(Cl)cc2F)c(C)o1 ZINC001435723829 937265693 /nfs/dbraw/zinc/26/56/93/937265693.db2.gz BNRPCMDRMLDPKR-UHFFFAOYSA-N -1 3 286.665 3.475 20 0 CGADHM CCc1ccc(F)cc1C(=O)NCc1ccc([O-])c(F)c1 ZINC001445874107 937359953 /nfs/dbraw/zinc/35/99/53/937359953.db2.gz DFNFHSZZGYFPQO-UHFFFAOYSA-N -1 3 291.297 3.163 20 0 CGADHM C[C@@H]1CC[C@@H](C(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)C[C@@H]1C ZINC001450050225 937382939 /nfs/dbraw/zinc/38/29/39/937382939.db2.gz KJBRJEUUXQUZAC-OUAUKWLOSA-N -1 3 287.363 3.279 20 0 CGADHM CCc1cccc(C(=O)Nc2cc(C)c3nccn3c2)c1[O-] ZINC001450343773 937384519 /nfs/dbraw/zinc/38/45/19/937384519.db2.gz BHKMKSIIGVEPSR-UHFFFAOYSA-N -1 3 295.342 3.163 20 0 CGADHM CCNc1nc(C(=O)Nc2c([O-])cccc2Cl)cs1 ZINC001450270866 937384842 /nfs/dbraw/zinc/38/48/42/937384842.db2.gz ZDFFPDFXMSKMQP-UHFFFAOYSA-N -1 3 297.767 3.186 20 0 CGADHM Cc1cc(NC(=O)Cc2ccc([O-])c(F)c2)cs1 ZINC001454259186 937407504 /nfs/dbraw/zinc/40/75/04/937407504.db2.gz WCGSDLBVUJYKSU-UHFFFAOYSA-N -1 3 265.309 3.082 20 0 CGADHM CC(=O)c1cc(C(C)C)c([O-])cc1OC1CN(C(C)C)C1 ZINC001228959425 932060174 /nfs/dbraw/zinc/06/01/74/932060174.db2.gz ZLGDJTUELFFPJL-UHFFFAOYSA-N -1 3 291.391 3.190 20 0 CGADHM [O-]c1cc(O)cc(OC2CC(F)(F)C2)c1Br ZINC001229098017 932093280 /nfs/dbraw/zinc/09/32/80/932093280.db2.gz ADZXHBBGHJRKLC-UHFFFAOYSA-N -1 3 295.079 3.037 20 0 CGADHM COc1cccc2nc(=O)[n-]c(O[C@H]3CCCC[C@@H]3F)c21 ZINC001229240630 932121619 /nfs/dbraw/zinc/12/16/19/932121619.db2.gz XMQJEJJQXNYHOX-ONGXEEELSA-N -1 3 292.310 3.004 20 0 CGADHM Cc1csc2[n-]c(=S)nc(OC3CC=CC3)c12 ZINC001229353972 932138291 /nfs/dbraw/zinc/13/82/91/932138291.db2.gz UBNATPXUXJOLOB-UHFFFAOYSA-N -1 3 264.375 3.386 20 0 CGADHM Cc1csc2[n-]c(=S)nc(OC[C@@H]3CC[C@H](C)O3)c12 ZINC001229353096 932139032 /nfs/dbraw/zinc/13/90/32/932139032.db2.gz KOTWDKPTCJZSEK-IUCAKERBSA-N -1 3 296.417 3.235 20 0 CGADHM C[C@@H](Oc1nc(=S)[n-]c2sccc21)C(F)(F)F ZINC001229568441 932173303 /nfs/dbraw/zinc/17/33/03/932173303.db2.gz GDQAXDQGPVKJGT-SCSAIBSYSA-N -1 3 280.296 3.310 20 0 CGADHM Cc1nc(O[C@@H]2CCc3c2cc(F)cc3F)c(C)c(=O)[n-]1 ZINC001229687231 932469525 /nfs/dbraw/zinc/46/95/25/932469525.db2.gz CGGPIJXDKQPWIQ-CYBMUJFWSA-N -1 3 292.285 3.144 20 0 CGADHM Cc1nc(O[C@H](C)c2cccc(N(C)C)c2)c(C)c(=O)[n-]1 ZINC001229686529 932469809 /nfs/dbraw/zinc/46/98/09/932469809.db2.gz SIUBDMCQMMSQMN-LLVKDONJSA-N -1 3 287.363 3.005 20 0 CGADHM CCO[C@H]1C[C@@H](N(C)Cc2ccc([O-])c(F)c2F)C1(C)C ZINC001461860119 937601774 /nfs/dbraw/zinc/60/17/74/937601774.db2.gz NRBCACOVZQVFLB-OLZOCXBDSA-N -1 3 299.361 3.306 20 0 CGADHM C[C@@H]1CCC[C@@H](C)C1Oc1ccccc1-c1nnn[n-]1 ZINC001229953740 932508464 /nfs/dbraw/zinc/50/84/64/932508464.db2.gz DFOZMYOXISVBJS-GHMZBOCLSA-N -1 3 272.352 3.070 20 0 CGADHM C[C@@H]1CCC[C@@H](C)C1Oc1ccccc1-c1nn[n-]n1 ZINC001229953740 932508470 /nfs/dbraw/zinc/50/84/70/932508470.db2.gz DFOZMYOXISVBJS-GHMZBOCLSA-N -1 3 272.352 3.070 20 0 CGADHM CC1(C)CCC[C@H](Oc2ccccc2-c2nnn[n-]2)C1 ZINC001229953438 932508564 /nfs/dbraw/zinc/50/85/64/932508564.db2.gz BLLTYLQYXUATLS-NSHDSACASA-N -1 3 272.352 3.214 20 0 CGADHM CC1(C)CCC[C@H](Oc2ccccc2-c2nn[n-]n2)C1 ZINC001229953438 932508568 /nfs/dbraw/zinc/50/85/68/932508568.db2.gz BLLTYLQYXUATLS-NSHDSACASA-N -1 3 272.352 3.214 20 0 CGADHM C[C@H](Oc1[n-]c(=O)nc2cccc(Cl)c21)C1CC1 ZINC001230885143 932636388 /nfs/dbraw/zinc/63/63/88/932636388.db2.gz VAQYSVGOUFYOMK-ZETCQYMHSA-N -1 3 264.712 3.166 20 0 CGADHM C[C@H](Oc1nc(=O)[n-]cc1-c1ccccc1)C1CCC1 ZINC001230973839 932651651 /nfs/dbraw/zinc/65/16/51/932651651.db2.gz KHMMFLVBXKDZTE-NSHDSACASA-N -1 3 270.332 3.417 20 0 CGADHM CC[C@H](C[C@@H](C)CC)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001231072459 932671473 /nfs/dbraw/zinc/67/14/73/932671473.db2.gz CPYUDCGUSYDKJO-WCQYABFASA-N -1 3 274.368 3.460 20 0 CGADHM CCCC(CCC)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001231074422 932673142 /nfs/dbraw/zinc/67/31/42/932673142.db2.gz UPTWYVNEJAIXPO-UHFFFAOYSA-N -1 3 260.341 3.214 20 0 CGADHM Cc1noc(C)c1-c1cc(C(F)(F)F)[n-]c(=S)n1 ZINC001242104703 932700710 /nfs/dbraw/zinc/70/07/10/932700710.db2.gz BTIOKGVVIBQVOE-UHFFFAOYSA-N -1 3 275.255 3.056 20 0 CGADHM C[C@H](NC(=O)c1c([O-])cccc1O)C1CCCCCC1 ZINC001306823481 932888464 /nfs/dbraw/zinc/88/84/64/932888464.db2.gz IYPJVTHVFNTVQS-NSHDSACASA-N -1 3 277.364 3.187 20 0 CGADHM C[C@H]1C[C@H]1N(Cc1cc(=O)[n-]c(C2CC2)n1)c1ccccc1 ZINC001307838323 933006570 /nfs/dbraw/zinc/00/65/70/933006570.db2.gz UEPUCOMUHZMICK-BLLLJJGKSA-N -1 3 295.386 3.475 20 0 CGADHM CCc1ccc(C(=O)NC[C@@H]2CCC[C@@H]2C)c([O-])c1 ZINC001467441947 937718250 /nfs/dbraw/zinc/71/82/50/937718250.db2.gz SVBOKXMKILBEIS-AAEUAGOBSA-N -1 3 261.365 3.121 20 0 CGADHM O=C(NCCc1c(F)cccc1Cl)c1ccccc1[O-] ZINC001319678386 933913277 /nfs/dbraw/zinc/91/32/77/933913277.db2.gz WWCOWFOLCBDCNO-UHFFFAOYSA-N -1 3 293.725 3.157 20 0 CGADHM CC(=O)c1cccc(NC(=O)c2coc(C(F)F)c2)c1[O-] ZINC001468600630 937729734 /nfs/dbraw/zinc/72/97/34/937729734.db2.gz FBIKZADQZHPEFP-UHFFFAOYSA-N -1 3 295.241 3.378 20 0 CGADHM CCc1ccc(C(=O)NC[C@H]2C[C@@H]2c2ccccc2)c([O-])c1 ZINC001469408198 937739262 /nfs/dbraw/zinc/73/92/62/937739262.db2.gz UUVMFRNRYGWYIU-NVXWUHKLSA-N -1 3 295.382 3.488 20 0 CGADHM CC[C@H](NC(=O)c1ccc(C)cc1[O-])[C@@H]1CC1(C)C ZINC001469143153 937735814 /nfs/dbraw/zinc/73/58/14/937735814.db2.gz VCGDBVXWCPOIFR-STQMWFEESA-N -1 3 261.365 3.255 20 0 CGADHM CCc1ccc(C(=O)NCCC2(CSC)CC2)c([O-])c1 ZINC001469958068 937746072 /nfs/dbraw/zinc/74/60/72/937746072.db2.gz RSDJGUYPMLQGPJ-UHFFFAOYSA-N -1 3 293.432 3.218 20 0 CGADHM O=C(OCCOCC1CC1)c1cc2sccc2c([O-])c1 ZINC001321345318 934177269 /nfs/dbraw/zinc/17/72/69/934177269.db2.gz YZBXODKIRYHEMO-UHFFFAOYSA-N -1 3 292.356 3.190 20 0 CGADHM Cc1cccc([O-])c1C(=O)NCc1c(F)cc(F)cc1F ZINC001471756415 937769141 /nfs/dbraw/zinc/76/91/41/937769141.db2.gz ABVGLICJYKFTKU-UHFFFAOYSA-N -1 3 295.260 3.048 20 0 CGADHM COC[C@H](CNC(=O)c1ccc(C(C)C)cc1[O-])C(C)C ZINC001472037678 937772147 /nfs/dbraw/zinc/77/21/47/937772147.db2.gz XXMXVOGFMMDFID-AWEZNQCLSA-N -1 3 293.407 3.164 20 0 CGADHM Cc1nc2c(c(=O)[n-]1)CN(Cc1cccc(C(C)(C)C)c1)C2 ZINC001473689278 937817597 /nfs/dbraw/zinc/81/75/97/937817597.db2.gz DPVQOKHRSNWHBP-UHFFFAOYSA-N -1 3 297.402 3.304 20 0 CGADHM CC(C)(C)Oc1ccc(CC[N-]C(=O)C(F)(F)F)cc1 ZINC001327078889 935026749 /nfs/dbraw/zinc/02/67/49/935026749.db2.gz GMJZOMCTGDLJOV-UHFFFAOYSA-N -1 3 289.297 3.085 20 0 CGADHM CC(=O)c1ccc(CSCc2nc(C)cc(=O)[n-]2)cc1 ZINC001327520011 935065776 /nfs/dbraw/zinc/06/57/76/935065776.db2.gz KOPDDNZAUVCGRY-UHFFFAOYSA-N -1 3 288.372 3.127 20 0 CGADHM Cc1cnc2ccccc2c1N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC001329237884 935197762 /nfs/dbraw/zinc/19/77/62/935197762.db2.gz XEWYDNYXPDOIHG-CHWSQXEVSA-N -1 3 284.359 3.090 20 0 CGADHM O=C([O-])[C@@H]1CCCCC[C@@H]1NCc1csc(C2CC2)n1 ZINC001329310205 935203891 /nfs/dbraw/zinc/20/38/91/935203891.db2.gz JUUQJZQZANVDMK-OLZOCXBDSA-N -1 3 294.420 3.144 20 0 CGADHM CCc1c(=O)n(Cc2ccncc2)[n-]c1-c1cccc(C)c1 ZINC001332221500 935449695 /nfs/dbraw/zinc/44/96/95/935449695.db2.gz HGGGSVBYFIZMCK-INIZCTEOSA-N -1 3 293.370 3.163 20 0 CGADHM CCc1ccc([O-])c(C(=O)N(C)[C@H]2CC[C@@H](SC)C2)c1 ZINC001337058287 936234458 /nfs/dbraw/zinc/23/44/58/936234458.db2.gz XAHMDWXYLBSSSA-QWHCGFSZSA-N -1 3 293.432 3.311 20 0 CGADHM [O-]c1ccc(CN2C[C@H](C3CC3)[C@@H]2C2CC2)c(F)c1F ZINC001474531215 937865376 /nfs/dbraw/zinc/86/53/76/937865376.db2.gz KIYJCKXSCTXUAH-WBMJQRKESA-N -1 3 279.330 3.291 20 0 CGADHM CCCc1ncc(C(=O)[N-]c2cnoc2C(C)C)s1 ZINC001514581775 938002038 /nfs/dbraw/zinc/00/20/38/938002038.db2.gz WDUQDULPFYBABK-UHFFFAOYSA-N -1 3 279.365 3.459 20 0 CGADHM Cc1ccc(-c2cc(C(=O)[N-]c3cc(F)ccn3)on2)cc1 ZINC001531352899 938081423 /nfs/dbraw/zinc/08/14/23/938081423.db2.gz ZNRMFGNGVNFNBA-UHFFFAOYSA-N -1 3 297.289 3.436 20 0 CGADHM O=C(NCCc1ccco1)c1cc2sccc2c([O-])c1 ZINC001538467623 938118294 /nfs/dbraw/zinc/11/82/94/938118294.db2.gz FAFMMTGMVHACFL-UHFFFAOYSA-N -1 3 287.340 3.172 20 0 CGADHM Cc1ccc(NC(=O)Cc2ccc([O-])c(F)c2)cc1 ZINC001540437350 938131345 /nfs/dbraw/zinc/13/13/45/938131345.db2.gz PODCUKAUQDAKHJ-UHFFFAOYSA-N -1 3 259.280 3.021 20 0 CGADHM CC(=O)Nc1cc(NC(=O)c2c(C)cccc2[O-])ccc1C ZINC001542536876 938136103 /nfs/dbraw/zinc/13/61/03/938136103.db2.gz DHDBFEHIAUTWRF-UHFFFAOYSA-N -1 3 298.342 3.220 20 0 CGADHM Cc1nc2cc(NC(=O)c3c(C)cccc3[O-])ccc2n1C ZINC001544732111 938146776 /nfs/dbraw/zinc/14/67/76/938146776.db2.gz SFSYPEMHMFXHCU-UHFFFAOYSA-N -1 3 295.342 3.148 20 0 CGADHM Cc1cccc([O-])c1C(=O)N[C@H]1C[C@]1(C)c1ccccc1 ZINC001544980401 938148062 /nfs/dbraw/zinc/14/80/62/938148062.db2.gz RQYLRKQPLPSUOU-MAUKXSAKSA-N -1 3 281.355 3.161 20 0 CGADHM O=C(Cc1cccc([O-])c1F)N1CCC(C2CCC2)CC1 ZINC001549428395 938157389 /nfs/dbraw/zinc/15/73/89/938157389.db2.gz JBOYCRYCKBMTTQ-UHFFFAOYSA-N -1 3 291.366 3.113 20 0 CGADHM O=C([O-])[C@@H]1CN(Cc2ccc(Cl)c(F)c2)C[C@@H]1C1CC1 ZINC001550936130 938172715 /nfs/dbraw/zinc/17/27/15/938172715.db2.gz SMJMNHXAQRJOPR-VXGBXAGGSA-N -1 3 297.757 3.022 20 0 CGADHM Cc1cccc([O-])c1C(=O)NC[C@H]1CCC[C@@H]1C1CC1 ZINC001557023895 938207413 /nfs/dbraw/zinc/20/74/13/938207413.db2.gz BRMDOMYIJLMWBZ-ZIAGYGMSSA-N -1 3 273.376 3.257 20 0 CGADHM Cc1cn2ccc(NC(=O)c3ccc(C)c(C)c3[O-])cc2n1 ZINC001557642870 938211320 /nfs/dbraw/zinc/21/13/20/938211320.db2.gz VYLWXQYXELJNDB-UHFFFAOYSA-N -1 3 295.342 3.217 20 0 CGADHM COc1cccc([C@@H](C)NCc2cc(C(=O)[O-])cs2)c1 ZINC000095005009 958329285 /nfs/dbraw/zinc/32/92/85/958329285.db2.gz XINULWZQFPXPNC-SNVBAGLBSA-N -1 3 291.372 3.306 20 0 CGADHM CSc1ccc(CNCc2ccccc2C(=O)[O-])cc1 ZINC001594193752 959181019 /nfs/dbraw/zinc/18/10/19/959181019.db2.gz KCTOOJHFRHQFCH-UHFFFAOYSA-N -1 3 287.384 3.397 20 0 CGADHM CCc1ccccc1CNCc1ccsc1C(=O)[O-] ZINC000234123168 960340664 /nfs/dbraw/zinc/34/06/64/960340664.db2.gz HTDQUBNDXVHGBO-UHFFFAOYSA-N -1 3 275.373 3.299 20 0 CGADHM Cc1sc(C(=O)[O-])cc1CN[C@H](C)c1cccnc1 ZINC000235193435 960395937 /nfs/dbraw/zinc/39/59/37/960395937.db2.gz YQCZWUVCGPAJSR-SECBINFHSA-N -1 3 276.361 3.001 20 0 CGADHM C[C@H](NCc1ccsc1C(=O)[O-])c1cccs1 ZINC000235521874 960450050 /nfs/dbraw/zinc/45/00/50/960450050.db2.gz KLNZQGQUKSCURI-QMMMGPOBSA-N -1 3 267.375 3.359 20 0 CGADHM COc1cccc(C(=O)N2CCCc3ccc(C)cc32)c1[O-] ZINC001565712167 960811169 /nfs/dbraw/zinc/81/11/69/960811169.db2.gz CCWUUAKZHOMYFJ-UHFFFAOYSA-N -1 3 297.354 3.302 20 0 CGADHM O=C(Nc1ncccc1[O-])c1ccc(C(F)F)c(F)c1 ZINC001567485393 961348821 /nfs/dbraw/zinc/34/88/21/961348821.db2.gz HIMFVHIXRMORNR-UHFFFAOYSA-N -1 3 282.221 3.116 20 0 CGADHM C[C@@H]1CCC[C@H](C(=O)[O-])N1Cc1ccc(F)c(Cl)c1 ZINC001574265989 962294265 /nfs/dbraw/zinc/29/42/65/962294265.db2.gz HXSNBNGCPRTXSQ-NOZJJQNGSA-N -1 3 285.746 3.307 20 0 CGADHM CCSc1ccc(CNCc2c[nH]c(C(=O)[O-])c2)cc1 ZINC001574532305 962312973 /nfs/dbraw/zinc/31/29/73/962312973.db2.gz BFAOJXBSOHDXED-UHFFFAOYSA-N -1 3 290.388 3.115 20 0 CGADHM C[C@H]1CCCC[C@@H]1N(C)c1cc(F)ccc1-c1nnn[n-]1 ZINC001576163396 962433972 /nfs/dbraw/zinc/43/39/72/962433972.db2.gz ASTNUPWVLIEQEH-GWCFXTLKSA-N -1 3 289.358 3.021 20 0 CGADHM C[C@H]1CCCC[C@@H]1N(C)c1cc(F)ccc1-c1nn[n-]n1 ZINC001576163396 962433981 /nfs/dbraw/zinc/43/39/81/962433981.db2.gz ASTNUPWVLIEQEH-GWCFXTLKSA-N -1 3 289.358 3.021 20 0 CGADHM CCC(CC)COc1cc(Cl)cc(-c2nnn[n-]2)c1 ZINC001576757793 962491061 /nfs/dbraw/zinc/49/10/61/962491061.db2.gz JNCNWYFQARPJJA-UHFFFAOYSA-N -1 3 280.759 3.335 20 0 CGADHM CCC(CC)COc1cc(Cl)cc(-c2nn[n-]n2)c1 ZINC001576757793 962491067 /nfs/dbraw/zinc/49/10/67/962491067.db2.gz JNCNWYFQARPJJA-UHFFFAOYSA-N -1 3 280.759 3.335 20 0 CGADHM Cc1ccc(C)c(Sc2cc(C)c(-c3nnn[n-]3)cn2)c1 ZINC001581182832 962748264 /nfs/dbraw/zinc/74/82/64/962748264.db2.gz QEPIMBUHFZKHFV-UHFFFAOYSA-N -1 3 297.387 3.338 20 0 CGADHM Cc1ccc(C)c(Sc2cc(C)c(-c3nn[n-]n3)cn2)c1 ZINC001581182832 962748272 /nfs/dbraw/zinc/74/82/72/962748272.db2.gz QEPIMBUHFZKHFV-UHFFFAOYSA-N -1 3 297.387 3.338 20 0 CGADHM Cc1occc1SCCc1ccc(-c2nnn[n-]2)cc1 ZINC001581733905 962752483 /nfs/dbraw/zinc/75/24/83/962752483.db2.gz UNDBYOOEAILZHS-UHFFFAOYSA-N -1 3 286.360 3.103 20 0 CGADHM Cc1occc1SCCc1ccc(-c2nn[n-]n2)cc1 ZINC001581733905 962752490 /nfs/dbraw/zinc/75/24/90/962752490.db2.gz UNDBYOOEAILZHS-UHFFFAOYSA-N -1 3 286.360 3.103 20 0 CGADHM Fc1ccc(-c2nnn[n-]2)c(NC/C=C/c2ccccc2)c1 ZINC001581853515 962756824 /nfs/dbraw/zinc/75/68/24/962756824.db2.gz LZCPAQHEFWEIAW-QPJJXVBHSA-N -1 3 295.321 3.131 20 0 CGADHM Fc1ccc(-c2nn[n-]n2)c(NC/C=C/c2ccccc2)c1 ZINC001581853515 962756840 /nfs/dbraw/zinc/75/68/40/962756840.db2.gz LZCPAQHEFWEIAW-QPJJXVBHSA-N -1 3 295.321 3.131 20 0 CGADHM O=C([N-]c1ccnc(Cl)c1F)c1csc(Cl)n1 ZINC001584757955 962955293 /nfs/dbraw/zinc/95/52/93/962955293.db2.gz ZWYQDNXXOZWIKU-UHFFFAOYSA-N -1 3 292.122 3.236 20 0 CGADHM C(=Cc1ccc(-c2nnn[n-]2)cc1)c1nc2ccccc2o1 ZINC001588381414 963267640 /nfs/dbraw/zinc/26/76/40/963267640.db2.gz AZBRFWULPFLTJP-YFHOEESVSA-N -1 3 289.298 3.178 20 0 CGADHM C(=Cc1ccc(-c2nn[n-]n2)cc1)c1nc2ccccc2o1 ZINC001588381414 963267647 /nfs/dbraw/zinc/26/76/47/963267647.db2.gz AZBRFWULPFLTJP-YFHOEESVSA-N -1 3 289.298 3.178 20 0 CGADHM CC(C)(CNCc1ncc(C(=O)[O-])s1)C1=CCCC1 ZINC000308771213 963301451 /nfs/dbraw/zinc/30/14/51/963301451.db2.gz RXPHKMAYDVEZDG-UHFFFAOYSA-N -1 3 280.393 3.067 20 0 CGADHM C[C@H](NCC1(C2CC2)CCC1)c1ncc(C(=O)[O-])s1 ZINC000314740943 963802062 /nfs/dbraw/zinc/80/20/62/963802062.db2.gz BUQLFYVIPRVSES-VIFPVBQESA-N -1 3 280.393 3.072 20 0 CGADHM CCSCC[C@H](C)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC000314798124 963812063 /nfs/dbraw/zinc/81/20/63/963812063.db2.gz MPZRAUGSHWMDNS-DTWKUNHWSA-N -1 3 288.438 3.024 20 0 CGADHM CC(C)[C@H](C)SCc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001589437040 963990953 /nfs/dbraw/zinc/99/09/53/963990953.db2.gz QNEDAEGMQHBVTC-VIFPVBQESA-N -1 3 280.372 3.284 20 0 CGADHM CC(C)[C@H](C)SCc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001589437040 963990958 /nfs/dbraw/zinc/99/09/58/963990958.db2.gz QNEDAEGMQHBVTC-VIFPVBQESA-N -1 3 280.372 3.284 20 0 CGADHM CC(C)CN(CC1=CCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC001589619064 964005419 /nfs/dbraw/zinc/00/54/19/964005419.db2.gz DYCFDUCJVGFIHP-UHFFFAOYSA-N -1 3 297.406 3.439 20 0 CGADHM O=C([O-])[C@@H]1CN(CCCC(F)(F)F)Cc2ccccc21 ZINC000130212469 967624931 /nfs/dbraw/zinc/62/49/31/967624931.db2.gz UXUUJVDMTMCQLK-GFCCVEGCSA-N -1 3 287.281 3.013 20 0 CGADHM CC[C@@H](NCc1ccc(C(=O)[O-])c(C)c1)c1ccncc1 ZINC001595299207 980425368 /nfs/dbraw/zinc/42/53/68/980425368.db2.gz MSYTUIDCTGQNDD-MRXNPFEDSA-N -1 3 284.359 3.329 20 0 CGADHM CC[C@H]1Cc2ccccc2CN1Cc1c[nH]c(C(=O)[O-])c1 ZINC001595499581 981265277 /nfs/dbraw/zinc/26/52/77/981265277.db2.gz MMJDTIIJFALQAH-HNNXBMFYSA-N -1 3 284.359 3.050 20 0 CGADHM CCCCC1(N[C@H](C)c2ncc(C(=O)[O-])s2)CC1 ZINC001595656953 982057882 /nfs/dbraw/zinc/05/78/82/982057882.db2.gz KTECHUVBSLMFGD-SECBINFHSA-N -1 3 268.382 3.215 20 0 CGADHM CCCCN(CCOC)Cc1cc(C(=O)[O-])c(C(C)C)[nH]1 ZINC001595749229 982421640 /nfs/dbraw/zinc/42/16/40/982421640.db2.gz RHQPENRKAXTVPS-UHFFFAOYSA-N -1 3 296.411 3.085 20 0 CGADHM CCN(CC1CCC1)[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001596294356 983715640 /nfs/dbraw/zinc/71/56/40/983715640.db2.gz UORUWQAQMOTADA-VIFPVBQESA-N -1 3 268.382 3.024 20 0 CGADHM C[C@H](NCc1cc(C(=O)[O-])n(C)c1)c1ccc(Cl)cc1 ZINC001599901282 984834766 /nfs/dbraw/zinc/83/47/66/984834766.db2.gz GUDPWVWTDZIWOR-JTQLQIEISA-N -1 3 292.766 3.228 20 0 CGADHM Cc1[nH]c(CN(Cc2cccs2)C(C)C)cc1C(=O)[O-] ZINC001599961027 985781384 /nfs/dbraw/zinc/78/13/84/985781384.db2.gz BKVQTDGLYNLWDT-UHFFFAOYSA-N -1 3 292.404 3.493 20 0 CGADHM Cc1[nH]c(CNCc2ccc(C3CC3)cc2)cc1C(=O)[O-] ZINC001599963564 985847394 /nfs/dbraw/zinc/84/73/94/985847394.db2.gz OARNBSWKFMZEEA-UHFFFAOYSA-N -1 3 284.359 3.189 20 0 CGADHM CC[C@H](NCc1cc(C)c(C(=O)[O-])[nH]1)c1ccc(F)cc1 ZINC001597349253 987483482 /nfs/dbraw/zinc/48/34/82/987483482.db2.gz AEZHCWIMOULGIO-AWEZNQCLSA-N -1 3 290.338 3.401 20 0 CGADHM CCc1oc(CN2CC[C@@H]2Cc2ccccc2)cc1C(=O)[O-] ZINC001597796055 989350916 /nfs/dbraw/zinc/35/09/16/989350916.db2.gz IJAVWYCQAFCCLF-CQSZACIVSA-N -1 3 299.370 3.357 20 0 CGADHM CC(C)(C)c1nc(CN[C@]2(C)CCCC[C@H]2C(=O)[O-])co1 ZINC001590542493 990172690 /nfs/dbraw/zinc/17/26/90/990172690.db2.gz XMDOMAPPIRQMBC-BLLLJJGKSA-N -1 3 294.395 3.095 20 0 CGADHM CC(C)CN(Cc1nc(C(=O)[O-])cs1)CC(C)(C)C ZINC001591349157 992333295 /nfs/dbraw/zinc/33/32/95/992333295.db2.gz FPXBDVDAJGDYHM-UHFFFAOYSA-N -1 3 284.425 3.345 20 0 CGADHM CN(Cc1nc2ccc(F)cc2s1)C(C)(C)CC(=O)[O-] ZINC001598537711 992860116 /nfs/dbraw/zinc/86/01/16/992860116.db2.gz KNIGWKWOLIKIMW-UHFFFAOYSA-N -1 3 296.367 3.121 20 0 CGADHM C[C@H](NC[C@@H]1C[C@@H]1C1CCCC1)c1ncc(C(=O)[O-])s1 ZINC001593252548 994507145 /nfs/dbraw/zinc/50/71/45/994507145.db2.gz SMIHYYWAGZXHLQ-ZMLRMANQSA-N -1 3 294.420 3.318 20 0 CGADHM CC(C)n1cc([C@@H](C)NCc2cc(C(=O)[O-])cs2)cn1 ZINC001593288196 994652209 /nfs/dbraw/zinc/65/22/09/994652209.db2.gz DHOOYOQMFWPXQI-SNVBAGLBSA-N -1 3 293.392 3.075 20 0 CGADHM C[C@@H](c1ncc(C(=O)[O-])s1)N1CCC[C@@H]1C1CCC1 ZINC001593732171 996308795 /nfs/dbraw/zinc/30/87/95/996308795.db2.gz PGYMUORSRSLSHC-GXSJLCMTSA-N -1 3 280.393 3.167 20 0 CGADHM CC1(C)CCC[C@H]1CCNCc1ncc(C(=O)[O-])s1 ZINC001593902987 996769404 /nfs/dbraw/zinc/76/94/04/996769404.db2.gz DWVAPPFVFDHILW-JTQLQIEISA-N -1 3 282.409 3.147 20 0 CGADHM CC1(C)CN(C[C@@H]2[C@@H](C(=O)[O-])C2(F)F)[C@@H]1c1ccccc1 ZINC001593939575 996933993 /nfs/dbraw/zinc/93/39/93/996933993.db2.gz PMAAVFLRMDEEKI-FRRDWIJNSA-N -1 3 295.329 3.035 20 0 CGADHM CC1(C)CN(C(=O)c2ccc(O)cc2[O-])[C@H]1c1ccccc1 ZINC000621173287 349465814 /nfs/dbraw/zinc/46/58/14/349465814.db2.gz QVZHPQJZDMONBD-INIZCTEOSA-N -1 3 297.354 3.321 20 0 CGADHM CCC[C@@H](C)NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621256570 349482986 /nfs/dbraw/zinc/48/29/86/349482986.db2.gz LLUGGLFRWCNMIR-MRVPVSSYSA-N -1 3 275.270 3.329 20 0 CGADHM Cc1ccc(NC(=O)c2cnc3n2[C@@H](C)CCC3)c([O-])c1 ZINC000650998484 398191947 /nfs/dbraw/zinc/19/19/47/398191947.db2.gz CDKTYMUDBCWDIQ-NSHDSACASA-N -1 3 285.347 3.047 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)[C@@H]2O[C@@H](C)C[C@H]2C)c1[O-] ZINC000337481765 214111950 /nfs/dbraw/zinc/11/19/50/214111950.db2.gz XEYWFIGONBAHBW-VYUIOLGVSA-N -1 3 283.755 3.106 20 0 CGADHM C[C@H]1CCN(C(=O)Cc2ccc([O-])cc2Cl)C[C@H](C)C1 ZINC000337655492 214199586 /nfs/dbraw/zinc/19/95/86/214199586.db2.gz MYBDUKZZEBLIAE-NWDGAFQWSA-N -1 3 295.810 3.483 20 0 CGADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1CCC2(CC2)CC1 ZINC000621863001 349598275 /nfs/dbraw/zinc/59/82/75/349598275.db2.gz GBCPMZRJBUEBIP-UHFFFAOYSA-N -1 3 299.292 3.427 20 0 CGADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1CCCC2(CC2)C1 ZINC000621957813 349614285 /nfs/dbraw/zinc/61/42/85/349614285.db2.gz HUFRHYADRZQJOX-UHFFFAOYSA-N -1 3 299.292 3.427 20 0 CGADHM Cc1nc(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])c(C)[nH]1 ZINC000622016080 349621653 /nfs/dbraw/zinc/62/16/53/349621653.db2.gz SINIWWARWNEOBE-UHFFFAOYSA-N -1 3 287.363 3.282 20 0 CGADHM CC[C@@H](NC(=O)c1cc([O-])cc(C(F)(F)F)c1)C1CC1 ZINC000622173253 349641378 /nfs/dbraw/zinc/64/13/78/349641378.db2.gz OMZMWMIEAACDKT-GFCCVEGCSA-N -1 3 287.281 3.329 20 0 CGADHM CC[C@H](C[C@H](C)CO)NC(=O)c1ccc(C(C)C)cc1[O-] ZINC000436909349 529422576 /nfs/dbraw/zinc/42/25/76/529422576.db2.gz YPGDTEFZDBYKCE-GXTWGEPZSA-N -1 3 293.407 3.043 20 0 CGADHM CC[C@@H](C)c1cc(C(=O)Nc2ccccc2[O-])on1 ZINC000175083483 529429827 /nfs/dbraw/zinc/42/98/27/529429827.db2.gz SEQJUEWZEVGLKW-SECBINFHSA-N -1 3 260.293 3.146 20 0 CGADHM CCc1ccc(C(=O)NCc2cccc(F)c2)c([O-])c1 ZINC000622297955 349669513 /nfs/dbraw/zinc/66/95/13/349669513.db2.gz QVUKJYDYUVVYRP-UHFFFAOYSA-N -1 3 273.307 3.024 20 0 CGADHM CC[C@@H](CC(F)(F)F)NC(=O)c1ccc([O-])c(C)c1 ZINC000436976016 529458523 /nfs/dbraw/zinc/45/85/23/529458523.db2.gz AIUJOSQKTNNZTR-JTQLQIEISA-N -1 3 275.270 3.161 20 0 CGADHM CCOc1ccc(NC(=O)Cc2ccc([O-])c(F)c2)cc1 ZINC000622273468 349666473 /nfs/dbraw/zinc/66/64/73/349666473.db2.gz PPXOIRVTRGVVDZ-UHFFFAOYSA-N -1 3 289.306 3.111 20 0 CGADHM CC[C@H](NC(=O)Cc1ccc([O-])c(F)c1)[C@H]1CC1(C)C ZINC000416276709 529482052 /nfs/dbraw/zinc/48/20/52/529482052.db2.gz NHTNBDIZIUFIKM-YPMHNXCESA-N -1 3 279.355 3.015 20 0 CGADHM CCc1ccc(C(=O)NC2(Cc3ccccc3)CC2)c([O-])c1 ZINC000622520480 349683859 /nfs/dbraw/zinc/68/38/59/349683859.db2.gz VGNKYCRWJFJDIU-UHFFFAOYSA-N -1 3 295.382 3.460 20 0 CGADHM CC(C)C1(NC(=O)c2cc3c(cc2[O-])CCCC3)CC1 ZINC000622620726 349690042 /nfs/dbraw/zinc/69/00/42/349690042.db2.gz YZCUIMQVHMUYOF-UHFFFAOYSA-N -1 3 273.376 3.189 20 0 CGADHM CCc1cc(C(=O)N2CCCC[C@@H]2CC)ccc1[O-] ZINC000436868762 529512217 /nfs/dbraw/zinc/51/22/17/529512217.db2.gz JXDJQGXKBRHIDV-AWEZNQCLSA-N -1 3 261.365 3.359 20 0 CGADHM Cc1ccc(CCNC(=O)c2ccc(C(C)C)cc2[O-])nc1 ZINC000622681155 349693857 /nfs/dbraw/zinc/69/38/57/349693857.db2.gz CYCHBUFCKBZKNB-UHFFFAOYSA-N -1 3 298.386 3.192 20 0 CGADHM CCc1cc(C(=O)N[C@H]2CCC[C@@H]2CC)ccc1[O-] ZINC000436704387 529520343 /nfs/dbraw/zinc/52/03/43/529520343.db2.gz OTLLSNXFPNAQDF-FZMZJTMJSA-N -1 3 261.365 3.263 20 0 CGADHM CCc1ccc(-c2nc([C@@H]3CCO[C@H](C)C3)no2)c([O-])c1 ZINC000436865867 529577455 /nfs/dbraw/zinc/57/74/55/529577455.db2.gz WBYXJHKVHPVNAT-ZYHUDNBSSA-N -1 3 288.347 3.287 20 0 CGADHM CCc1ccc(-c2nc([C@@H]3CCO[C@@H](C)C3)no2)c([O-])c1 ZINC000436865864 529577613 /nfs/dbraw/zinc/57/76/13/529577613.db2.gz WBYXJHKVHPVNAT-CMPLNLGQSA-N -1 3 288.347 3.287 20 0 CGADHM CCCCC(=O)N=c1cc(-c2cccc(Cl)c2)[n-][nH]1 ZINC000622893511 349725792 /nfs/dbraw/zinc/72/57/92/349725792.db2.gz KAKFBRSLHTXRQW-UHFFFAOYSA-N -1 3 277.755 3.281 20 0 CGADHM CCc1ccc(C(=O)NCc2nc3ccccc3o2)c([O-])c1 ZINC000436979224 529605908 /nfs/dbraw/zinc/60/59/08/529605908.db2.gz KDLXARIANLESBX-UHFFFAOYSA-N -1 3 296.326 3.026 20 0 CGADHM CCc1ccc(C(=O)NCc2ccccc2COC)c([O-])c1 ZINC000436798893 529606020 /nfs/dbraw/zinc/60/60/20/529606020.db2.gz WOYVCHZZOKVECM-UHFFFAOYSA-N -1 3 299.370 3.031 20 0 CGADHM CCc1ccc(C(=O)NCCCOC2CCCC2)c([O-])c1 ZINC000436825505 529602755 /nfs/dbraw/zinc/60/27/55/529602755.db2.gz LIJSAODTCGSENR-UHFFFAOYSA-N -1 3 291.391 3.034 20 0 CGADHM CCc1ccc(C(=O)NCCCCCSC)c([O-])c1 ZINC000436839522 529603238 /nfs/dbraw/zinc/60/32/38/529603238.db2.gz PUWOPBPBNQQQIJ-UHFFFAOYSA-N -1 3 281.421 3.218 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2C[C@@H](C)C[C@@H]2CC)c1 ZINC000436590994 529691476 /nfs/dbraw/zinc/69/14/76/529691476.db2.gz VFPKICXCOPZISI-AAEUAGOBSA-N -1 3 261.365 3.215 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2[C@H](CC)CC[C@@H]2C)c1 ZINC000436762843 529691598 /nfs/dbraw/zinc/69/15/98/529691598.db2.gz DGFZDSFNZBKCBU-WCQYABFASA-N -1 3 261.365 3.358 20 0 CGADHM CN(CC(C)(C)C)C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000436959432 529844253 /nfs/dbraw/zinc/84/42/53/529844253.db2.gz HJTHSCBYFCSQPT-UHFFFAOYSA-N -1 3 275.392 3.389 20 0 CGADHM CC(=O)c1ccc(C(=O)Nc2ccc(C)cc2[O-])s1 ZINC000007960409 344870506 /nfs/dbraw/zinc/87/05/06/344870506.db2.gz OQYMMCWCNBKLLI-UHFFFAOYSA-N -1 3 275.329 3.217 20 0 CGADHM Cc1ccc(S[C@H](C)C(=O)Nc2ncccc2[O-])cc1 ZINC000022264044 344895181 /nfs/dbraw/zinc/89/51/81/344895181.db2.gz VYYZOWJQCSUVRQ-LLVKDONJSA-N -1 3 288.372 3.215 20 0 CGADHM O=C(Nc1ccccc1[O-])c1cc2cc(F)ccc2[nH]1 ZINC000046544318 345041107 /nfs/dbraw/zinc/04/11/07/345041107.db2.gz FILLAPPHYFNQQD-UHFFFAOYSA-N -1 3 270.263 3.265 20 0 CGADHM O=C([O-])[C@@H]1CC12CCN(Cc1cccc(Cl)c1)CC2 ZINC000049876340 345075644 /nfs/dbraw/zinc/07/56/44/345075644.db2.gz SNEJNLFRRVEJOP-ZDUSSCGKSA-N -1 3 279.767 3.027 20 0 CGADHM Cc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)c([O-])c1C ZINC000048369330 345065658 /nfs/dbraw/zinc/06/56/58/345065658.db2.gz SESRIAHZLMAIHE-UHFFFAOYSA-N -1 3 299.326 3.033 20 0 CGADHM CC[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000057102720 345173521 /nfs/dbraw/zinc/17/35/21/345173521.db2.gz JUAZGCXZBMMGHM-DTWKUNHWSA-N -1 3 293.791 3.192 20 0 CGADHM CCC(CC)N(CCOC)Cc1ccc(C(=O)[O-])cc1F ZINC000062755690 345240069 /nfs/dbraw/zinc/24/00/69/345240069.db2.gz ONQSQUBVRQXEPM-UHFFFAOYSA-N -1 3 297.370 3.161 20 0 CGADHM CCC(CC)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000068037898 345341218 /nfs/dbraw/zinc/34/12/18/345341218.db2.gz IENHPHDQVOGBKW-UHFFFAOYSA-N -1 3 295.326 3.172 20 0 CGADHM CN(Cc1nc2c3ccccc3oc2c(=O)[n-]1)C1CCC1 ZINC000072721820 345416860 /nfs/dbraw/zinc/41/68/60/345416860.db2.gz QHYHMEKGLATKSF-UHFFFAOYSA-N -1 3 283.331 3.066 20 0 CGADHM O=C(Nc1cc(C(F)(F)F)ccc1[O-])[C@@H]1CCCS1 ZINC000081459009 345710023 /nfs/dbraw/zinc/71/00/23/345710023.db2.gz FLAIHVYQJSPCRT-JTQLQIEISA-N -1 3 291.294 3.245 20 0 CGADHM Cc1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2[O-])n1 ZINC000081458964 345710092 /nfs/dbraw/zinc/71/00/92/345710092.db2.gz CLDRWBXVXQVSEC-UHFFFAOYSA-N -1 3 296.248 3.367 20 0 CGADHM CCc1cccc(C(=O)N2CCC[C@H]3CCC[C@H]32)c1[O-] ZINC000091682042 345820573 /nfs/dbraw/zinc/82/05/73/345820573.db2.gz DGEGWJAZBVYZJT-UKRRQHHQSA-N -1 3 273.376 3.359 20 0 CGADHM Cc1ncccc1NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000091991729 345828116 /nfs/dbraw/zinc/82/81/16/345828116.db2.gz HLMOBGQULGTAHS-UHFFFAOYSA-N -1 3 298.342 3.061 20 0 CGADHM C[C@@H]1CCCCN1C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000093901579 345891786 /nfs/dbraw/zinc/89/17/86/345891786.db2.gz JZPQRLRVSQGRIL-LLVKDONJSA-N -1 3 289.375 3.120 20 0 CGADHM CCc1cccc(C(=O)N2CCCC[C@@H]2c2ncc[nH]2)c1[O-] ZINC000094071754 345894857 /nfs/dbraw/zinc/89/48/57/345894857.db2.gz WPMDZKZQWFONQC-CQSZACIVSA-N -1 3 299.374 3.045 20 0 CGADHM Cc1ccc([O-])c(-c2nc(-c3cnccc3C)no2)c1 ZINC000168216923 232265127 /nfs/dbraw/zinc/26/51/27/232265127.db2.gz REFHVHGAEGJCBW-UHFFFAOYSA-N -1 3 267.288 3.121 20 0 CGADHM O=C(c1cc2ccccc2[nH]1)N1CCCc2cccc([O-])c21 ZINC000170873045 232266731 /nfs/dbraw/zinc/26/67/31/232266731.db2.gz XDNMTCQUUNKAIR-UHFFFAOYSA-N -1 3 292.338 3.467 20 0 CGADHM Cc1ccc(C(=O)N2CCC(C(C)C)CC2)c([O-])c1 ZINC000174379325 232300171 /nfs/dbraw/zinc/30/01/71/232300171.db2.gz WWIBVKGUAKORMK-UHFFFAOYSA-N -1 3 261.365 3.209 20 0 CGADHM O=C([O-])[C@@]1(C(F)(F)F)CCN(C/C=C/c2ccccc2)C1 ZINC000111242525 345948346 /nfs/dbraw/zinc/94/83/46/345948346.db2.gz DXCMWSLYHGMKGB-BTKRWWFXSA-N -1 3 299.292 3.039 20 0 CGADHM Cc1ccc(C)c(C(=O)NCc2ccc([O-])c(F)c2)c1 ZINC000133158416 346075787 /nfs/dbraw/zinc/07/57/87/346075787.db2.gz VATJIKYIHVQDTN-UHFFFAOYSA-N -1 3 273.307 3.078 20 0 CGADHM O=C(Nc1ncccc1[O-])[C@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000149466411 346131172 /nfs/dbraw/zinc/13/11/72/346131172.db2.gz LWSNBJAXUIEJCS-NEPJUHHUSA-N -1 3 288.734 3.183 20 0 CGADHM O=C(Nc1ccc([O-])cc1Cl)[C@H]1CCCCS1 ZINC000157721167 346162636 /nfs/dbraw/zinc/16/26/36/346162636.db2.gz OVEVUKWBJOSWHZ-LLVKDONJSA-N -1 3 271.769 3.270 20 0 CGADHM CC(C)N(CC1CC1)C(=O)c1cc([O-])ccc1Cl ZINC000232634065 346327107 /nfs/dbraw/zinc/32/71/07/346327107.db2.gz SUSHDPXGPMIRDV-UHFFFAOYSA-N -1 3 267.756 3.306 20 0 CGADHM CC(C)C1CCN(Cc2ccc(F)cc2C(=O)[O-])CC1 ZINC000232541210 346326115 /nfs/dbraw/zinc/32/61/15/346326115.db2.gz NAHRXAKKWFCFDO-UHFFFAOYSA-N -1 3 279.355 3.392 20 0 CGADHM CSC[C@H](C)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000280544285 346417643 /nfs/dbraw/zinc/41/76/43/346417643.db2.gz ZNJATINWUTXUJT-JTQLQIEISA-N -1 3 275.373 3.027 20 0 CGADHM O=C([O-])[C@@H]1[C@H]2CCC[C@H]2CN1Cc1ccc(Cl)cc1F ZINC000300242168 346436697 /nfs/dbraw/zinc/43/66/97/346436697.db2.gz XOGIRSHTNYRAIJ-WFBYXXMGSA-N -1 3 297.757 3.164 20 0 CGADHM O=C([O-])c1ccc(CN2CCc3ccccc3CC2)cc1F ZINC000318411464 346487152 /nfs/dbraw/zinc/48/71/52/346487152.db2.gz KYVPLVXRPSUZPY-UHFFFAOYSA-N -1 3 299.345 3.125 20 0 CGADHM Cc1ccc(NC(=O)c2cc(C(F)(F)F)n[n-]2)c(F)c1 ZINC000339230147 215028373 /nfs/dbraw/zinc/02/83/73/215028373.db2.gz JSDGDMOLQXLVJX-UHFFFAOYSA-N -1 3 287.216 3.128 20 0 CGADHM Cc1ccc(NC(=O)c2cc(C(F)(F)F)[n-]n2)c(F)c1 ZINC000339230147 215028375 /nfs/dbraw/zinc/02/83/75/215028375.db2.gz JSDGDMOLQXLVJX-UHFFFAOYSA-N -1 3 287.216 3.128 20 0 CGADHM Cc1c(F)cccc1C(=O)N1CCCc2cccc([O-])c21 ZINC000399659362 346587832 /nfs/dbraw/zinc/58/78/32/346587832.db2.gz WUANYZFZJPOEED-UHFFFAOYSA-N -1 3 285.318 3.433 20 0 CGADHM CSCC1CCC(NC(=O)c2cc(C)ccc2[O-])CC1 ZINC000385757787 346566451 /nfs/dbraw/zinc/56/64/51/346566451.db2.gz YEHXMNPXJOJDLL-UHFFFAOYSA-N -1 3 293.432 3.352 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2ccc3c(c2)C(C)(C)CO3)n1 ZINC000584691669 346707374 /nfs/dbraw/zinc/70/73/74/346707374.db2.gz RVDAGILFZNMDIW-UHFFFAOYSA-N -1 3 298.342 3.018 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CCC(C)(C)CC2)c1 ZINC000588935755 346777518 /nfs/dbraw/zinc/77/75/18/346777518.db2.gz ILNBHUZCAIJBOJ-UHFFFAOYSA-N -1 3 261.365 3.217 20 0 CGADHM COc1ccc(C(=O)Nc2ccccc2[O-])c(Cl)c1 ZINC000594842679 347217509 /nfs/dbraw/zinc/21/75/09/347217509.db2.gz RGERCPRQKQAXOB-UHFFFAOYSA-N -1 3 277.707 3.307 20 0 CGADHM CCOC(=O)CC(C)(C)N(C)Cc1cccc([O-])c1Cl ZINC000351828609 219217503 /nfs/dbraw/zinc/21/75/03/219217503.db2.gz OSCJDWABLUDNIX-UHFFFAOYSA-N -1 3 299.798 3.209 20 0 CGADHM CSCC1(Cc2noc(-c3ccccc3[O-])n2)CC1 ZINC000596607882 347488026 /nfs/dbraw/zinc/48/80/26/347488026.db2.gz BNUUAFKOZWNHIA-UHFFFAOYSA-N -1 3 276.361 3.128 20 0 CGADHM CS[C@H]1CCC[C@@H](NC(=O)c2c(C)cccc2[O-])C1 ZINC000599530533 347751273 /nfs/dbraw/zinc/75/12/73/347751273.db2.gz ZWUSDCYZLQTLDX-NEPJUHHUSA-N -1 3 279.405 3.105 20 0 CGADHM CC1(C)CCCN(CCNCc2cccc([O-])c2Cl)C1 ZINC000339380228 215133167 /nfs/dbraw/zinc/13/31/67/215133167.db2.gz DMFZKDFLQWFNJO-UHFFFAOYSA-N -1 3 296.842 3.257 20 0 CGADHM Cc1ccccc1-c1cc(=NC(=O)[C@H](C)c2ccco2)[nH][n-]1 ZINC000608359389 348300492 /nfs/dbraw/zinc/30/04/92/348300492.db2.gz AIBQNVVXOQMZKM-GFCCVEGCSA-N -1 3 295.342 3.142 20 0 CGADHM CC(C)c1ccc(-c2nc(C[C@@H]3CCCO3)no2)c([O-])c1 ZINC000273357723 192125229 /nfs/dbraw/zinc/12/52/29/192125229.db2.gz AKRJFRBMFGGSLR-LBPRGKRZSA-N -1 3 288.347 3.287 20 0 CGADHM CSc1ccc([O-])c(C(=O)N2C[C@@H](C)CC[C@@H]2C)c1 ZINC000611701419 348469054 /nfs/dbraw/zinc/46/90/54/348469054.db2.gz AJHIEUYAEBWOJG-QWRGUYRKSA-N -1 3 279.405 3.375 20 0 CGADHM COCc1csc(C(=O)[N-]c2c(C)noc2C2CC2)c1 ZINC000613431306 348602791 /nfs/dbraw/zinc/60/27/91/348602791.db2.gz VOKUPWJGRXWSSH-UHFFFAOYSA-N -1 3 292.360 3.321 20 0 CGADHM C[C@@H](CC(=O)Nc1ccc(Cl)cc1[O-])[C@H]1CCCO1 ZINC000613029350 348559883 /nfs/dbraw/zinc/55/98/83/348559883.db2.gz ZQKKFYWAUKFLBT-TVQRCGJNSA-N -1 3 283.755 3.189 20 0 CGADHM O=C(NCc1ncccc1[O-])c1cccc(C2CCCC2)c1 ZINC000614254375 348662747 /nfs/dbraw/zinc/66/27/47/348662747.db2.gz GVWYAUSXXYRNHD-UHFFFAOYSA-N -1 3 296.370 3.375 20 0 CGADHM CC(C)(C)Nc1ccccc1NC(=O)Cc1cncc([O-])c1 ZINC000613881374 348637727 /nfs/dbraw/zinc/63/77/27/348637727.db2.gz ALMWMBLHGXGAKB-UHFFFAOYSA-N -1 3 299.374 3.179 20 0 CGADHM Cc1ccc([O-])c(C(=O)NCc2ccc([C@H]3C[C@@H]3C)o2)c1 ZINC000614754075 348692549 /nfs/dbraw/zinc/69/25/49/348692549.db2.gz MFXNBSUKKLQTRW-AAEUAGOBSA-N -1 3 285.343 3.347 20 0 CGADHM CSc1ccc([O-])c(C(=O)N[C@@H]2CCCC2(F)F)c1 ZINC000614876839 348697356 /nfs/dbraw/zinc/69/73/56/348697356.db2.gz BTNORIDOJMWZBB-LLVKDONJSA-N -1 3 287.331 3.032 20 0 CGADHM CSc1ccc([O-])c(C(=O)N[C@@H]2CC[C@H]3C[C@H]3C2)c1 ZINC000616503017 348827486 /nfs/dbraw/zinc/82/74/86/348827486.db2.gz KARUZNWWZRXYSY-GARJFASQSA-N -1 3 277.389 3.033 20 0 CGADHM CC1(C)CCC[C@@](O)(C(=O)Nc2ccc([O-])cc2Cl)C1 ZINC000616942983 348885480 /nfs/dbraw/zinc/88/54/80/348885480.db2.gz KCFTUEUHIJKYLS-HNNXBMFYSA-N -1 3 297.782 3.315 20 0 CGADHM CCn1nc(C)c(C(=O)Nc2ccc([O-])cc2Cl)c1C ZINC000616942179 348885495 /nfs/dbraw/zinc/88/54/95/348885495.db2.gz UGHWOPLFBAPLRT-UHFFFAOYSA-N -1 3 293.754 3.131 20 0 CGADHM O=C(N[C@@H]1CCCC12CCCCC2)c1csc(=O)[n-]1 ZINC000617106592 348920499 /nfs/dbraw/zinc/92/04/99/348920499.db2.gz HQYCHBCGOGNUFN-LLVKDONJSA-N -1 3 280.393 3.082 20 0 CGADHM O=C(c1ccc(O)cc1[O-])N1CC[C@@H](C2CCCCC2)C1 ZINC000618184761 349058353 /nfs/dbraw/zinc/05/83/53/349058353.db2.gz FOQMDLJBBCXBPQ-CYBMUJFWSA-N -1 3 289.375 3.140 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2cnc(C(C)C)s2)n1 ZINC000352026554 219293084 /nfs/dbraw/zinc/29/30/84/219293084.db2.gz KRBRJAZMSCOLIW-PLNGDYQASA-N -1 3 261.350 3.241 20 0 CGADHM CCC1(CC)CCCN(C(=O)c2cccc(OC)c2[O-])C1 ZINC000618671832 349139688 /nfs/dbraw/zinc/13/96/88/349139688.db2.gz UHQFIWQQVWARHB-UHFFFAOYSA-N -1 3 291.391 3.443 20 0 CGADHM Cc1ccc(C(=O)N2CCC[C@@H](C3CCC3)C2)c([O-])c1 ZINC000620206670 349338709 /nfs/dbraw/zinc/33/87/09/349338709.db2.gz QRTIQJUGPHRAOF-CQSZACIVSA-N -1 3 273.376 3.353 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CCC[C@@H](C3CCC3)C2)c1 ZINC000620213741 349341270 /nfs/dbraw/zinc/34/12/70/349341270.db2.gz FVCYUDPTHRAAAV-CQSZACIVSA-N -1 3 273.376 3.353 20 0 CGADHM Cc1cccc(C(=O)N(CCC2CC2)CC2CC2)c1[O-] ZINC000620628589 349399166 /nfs/dbraw/zinc/39/91/66/349399166.db2.gz GAJBDQAEOCRYHY-UHFFFAOYSA-N -1 3 273.376 3.353 20 0 CGADHM CCN(CC(F)(F)F)C(=O)c1ccc(C)c(C)c1[O-] ZINC000271205867 191000061 /nfs/dbraw/zinc/00/00/61/191000061.db2.gz AJSUMZHBPQMXBN-UHFFFAOYSA-N -1 3 275.270 3.033 20 0 CGADHM CC[C@@]1(C)COCCN1Cc1cc([O-])ccc1Cl ZINC000625273408 350150370 /nfs/dbraw/zinc/15/03/70/350150370.db2.gz NFBZDKUILUTLCJ-AWEZNQCLSA-N -1 3 269.772 3.047 20 0 CGADHM CN(Cc1cc([O-])ccc1Cl)C[C@H]1CCCC[C@H]1O ZINC000625315797 350157027 /nfs/dbraw/zinc/15/70/27/350157027.db2.gz WPRVWFNHVTVADX-IAQYHMDHSA-N -1 3 283.799 3.029 20 0 CGADHM CCC(F)(F)C(C)(C)C[N-]S(=O)(=O)c1cccs1 ZINC000625494763 350178631 /nfs/dbraw/zinc/17/86/31/350178631.db2.gz VGSBZTTUNHCQGD-UHFFFAOYSA-N -1 3 297.392 3.098 20 0 CGADHM CC[C@H]1CN(Cc2cc([O-])ccc2Cl)[C@@H](C)CO1 ZINC000625512455 350179879 /nfs/dbraw/zinc/17/98/79/350179879.db2.gz OUCJXLFQNYJXKA-GWCFXTLKSA-N -1 3 269.772 3.045 20 0 CGADHM CCN(C(=O)c1c(C)cccc1[O-])[C@H](C)c1cccnc1 ZINC000625660077 350194239 /nfs/dbraw/zinc/19/42/39/350194239.db2.gz UUPZSBZWTYPFBS-CYBMUJFWSA-N -1 3 284.359 3.319 20 0 CGADHM CCc1cccc(Cl)c1CN1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC000625970264 350238026 /nfs/dbraw/zinc/23/80/26/350238026.db2.gz MFUOBQBWLCEARB-WCQYABFASA-N -1 3 295.810 3.445 20 0 CGADHM Cc1cccc([O-])c1C(=O)NC[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000626181495 350278088 /nfs/dbraw/zinc/27/80/88/350278088.db2.gz LWVNLHGLPOMSNK-IIDMSEBBSA-N -1 3 293.366 3.016 20 0 CGADHM FC(F)C1(CN=c2[n-]c(C(F)(F)F)cs2)CC1 ZINC000359826732 233380950 /nfs/dbraw/zinc/38/09/50/233380950.db2.gz ALZGGHKGNWCWTR-UHFFFAOYSA-N -1 3 272.242 3.041 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CC[C@@H](C(C)(C)C)C1 ZINC000626438386 350306792 /nfs/dbraw/zinc/30/67/92/350306792.db2.gz SXNYWPOZHKUKEV-GFCCVEGCSA-N -1 3 261.365 3.209 20 0 CGADHM CSc1cc(O)ccc1[N-]C(=O)c1conc1C(C)C ZINC000626650978 350327174 /nfs/dbraw/zinc/32/71/74/350327174.db2.gz FQLCCEKXLFVCJO-UHFFFAOYSA-N -1 3 292.360 3.478 20 0 CGADHM CCn1cc(C(=O)N2CC[C@@H](C)c3cccc([O-])c32)c(C)n1 ZINC000626482441 350312500 /nfs/dbraw/zinc/31/25/00/350312500.db2.gz URCIVKOHLMWBNP-LLVKDONJSA-N -1 3 299.374 3.071 20 0 CGADHM C[C@@H](CNCc1c(F)ccc([O-])c1F)N1CCCC[C@H]1C ZINC000352123933 219329251 /nfs/dbraw/zinc/32/92/51/219329251.db2.gz STRYGHBNNDYTFL-NEPJUHHUSA-N -1 3 298.377 3.023 20 0 CGADHM C[C@@H](CC(=O)Nc1cccc([O-])c1F)C(F)(F)F ZINC000626297453 350293305 /nfs/dbraw/zinc/29/33/05/350293305.db2.gz ASSDIZPMODQFED-LURJTMIESA-N -1 3 265.206 3.058 20 0 CGADHM Cc1cccc([O-])c1C(=O)N(CC1CC1)CC1CCC1 ZINC000626799636 350342866 /nfs/dbraw/zinc/34/28/66/350342866.db2.gz IVRUOZXJLDNMOK-UHFFFAOYSA-N -1 3 273.376 3.353 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1Cc2ccccc2O[C@H](C)C1 ZINC000627506367 350362552 /nfs/dbraw/zinc/36/25/52/350362552.db2.gz MQZCIIQJKCQEQW-CYBMUJFWSA-N -1 3 297.354 3.124 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CC2CC1(c1ccccc1)C2 ZINC000628166115 350419221 /nfs/dbraw/zinc/41/92/21/350419221.db2.gz ZTTKALSSPFHKRZ-UHFFFAOYSA-N -1 3 293.366 3.462 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2C[C@@H](C)C(F)(F)[C@H](C)C2)c1 ZINC000628387083 350522319 /nfs/dbraw/zinc/52/23/19/350522319.db2.gz LLXPLLJLHRJAHV-GHMZBOCLSA-N -1 3 283.318 3.064 20 0 CGADHM Cc1cc(C(=O)N2C[C@@H](C)C(F)(F)[C@H](C)C2)ccc1[O-] ZINC000628397308 350526001 /nfs/dbraw/zinc/52/60/01/350526001.db2.gz XYCHZUXQXDFUMJ-GHMZBOCLSA-N -1 3 283.318 3.064 20 0 CGADHM C[C@H]1CN(CCc2c(F)cccc2Cl)CC[C@@H]1C(=O)[O-] ZINC000629495041 350696950 /nfs/dbraw/zinc/69/69/50/350696950.db2.gz GVBKSSRVARHUKA-QWRGUYRKSA-N -1 3 299.773 3.064 20 0 CGADHM C[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1[O-])c1cncnc1 ZINC000629990202 350795405 /nfs/dbraw/zinc/79/54/05/350795405.db2.gz MGYISVKLNYAUBK-NSHDSACASA-N -1 3 299.374 3.222 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)[C@@H]2CC23CCC3)c1-c1ccc(C)cc1 ZINC000630021482 350797771 /nfs/dbraw/zinc/79/77/71/350797771.db2.gz SSQKJKOWQGGESW-AWEZNQCLSA-N -1 3 295.386 3.244 20 0 CGADHM Cc1ccc(C(=O)N2CCC[C@H]3CCC[C@H]32)c([O-])c1C ZINC000271421892 191127846 /nfs/dbraw/zinc/12/78/46/191127846.db2.gz RGJMAQUKLSYANN-UKRRQHHQSA-N -1 3 273.376 3.414 20 0 CGADHM CC(C)(C(=O)Nc1cccc([O-])c1F)[C@H]1CCCCO1 ZINC000632183614 351177833 /nfs/dbraw/zinc/17/78/33/351177833.db2.gz ABFDPHSXZKTYOQ-GFCCVEGCSA-N -1 3 281.327 3.065 20 0 CGADHM CC[C@H](C)Cc1noc(-c2cc(C)cc(OC)c2[O-])n1 ZINC000632248660 351185782 /nfs/dbraw/zinc/18/57/82/351185782.db2.gz WDQUJGDRBMHDBM-VIFPVBQESA-N -1 3 276.336 3.348 20 0 CGADHM CC(=O)c1cccc(NC(=O)c2ccc(F)cc2C)c1[O-] ZINC000336512423 213390716 /nfs/dbraw/zinc/39/07/16/213390716.db2.gz JAOCUGSQFFHRJX-UHFFFAOYSA-N -1 3 287.290 3.295 20 0 CGADHM Cc1ccc(-n2[n-]c(-c3ccccc3)c(C(C)C)c2=O)nc1 ZINC000634598671 351535738 /nfs/dbraw/zinc/53/57/38/351535738.db2.gz PZMYTMVNKRKVDW-MRXNPFEDSA-N -1 3 293.370 3.413 20 0 CGADHM c1cc(-c2noc(C3CCC=CCC3)n2)cc2n[n-]nc12 ZINC000634569697 351519422 /nfs/dbraw/zinc/51/94/22/351519422.db2.gz MFFZNMFXBJJPLO-UHFFFAOYSA-N -1 3 281.319 3.222 20 0 CGADHM O=C([O-])c1ccc(CN2CCC[C@@H](C3CCC3)CC2)o1 ZINC000634697745 351575938 /nfs/dbraw/zinc/57/59/38/351575938.db2.gz QQQWOEJMMLMLRC-CYBMUJFWSA-N -1 3 277.364 3.380 20 0 CGADHM CC(C)c1c(-c2ccccc2)[n-]n([C@@H](C)C(F)(F)F)c1=O ZINC000634631173 351553168 /nfs/dbraw/zinc/55/31/68/351553168.db2.gz MNBZRZHUKBINCC-CMPLNLGQSA-N -1 3 298.308 3.456 20 0 CGADHM O=C([O-])CCCCNCc1csc(Cl)c1Cl ZINC000635313486 351649888 /nfs/dbraw/zinc/64/98/88/351649888.db2.gz LSTILTJLUSWULO-UHFFFAOYSA-N -1 3 282.192 3.399 20 0 CGADHM O=C(Nc1ccc(Cl)cc1[O-])[C@@H]1CCN1C1CCCC1 ZINC000635738874 351687652 /nfs/dbraw/zinc/68/76/52/351687652.db2.gz GGGMTSIHIPPZLD-ZDUSSCGKSA-N -1 3 294.782 3.001 20 0 CGADHM COc1cc(C(=O)N(C)C[C@H](C)C(C)(C)C)ccc1[O-] ZINC000636430650 351756560 /nfs/dbraw/zinc/75/65/60/351756560.db2.gz HXWNTDANWAZFKP-NSHDSACASA-N -1 3 279.380 3.155 20 0 CGADHM CCc1cc(C(=O)N(C)[C@H](C)c2cccc(O)c2)ccc1[O-] ZINC000292125845 198172751 /nfs/dbraw/zinc/17/27/51/198172751.db2.gz KVFUXCLEGCXWMD-GFCCVEGCSA-N -1 3 299.370 3.493 20 0 CGADHM O=C([N-]OC1CCCC1)[C@H]1C[C@H]1c1ccc(F)cc1F ZINC000271625201 191246601 /nfs/dbraw/zinc/24/66/01/191246601.db2.gz ASGVJQCUZSXFDK-STQMWFEESA-N -1 3 281.302 3.059 20 0 CGADHM O=C([N-]OC/C=C/Cl)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000292218946 198206122 /nfs/dbraw/zinc/20/61/22/198206122.db2.gz QMCOYZXEBLDNIK-ALGOIXDESA-N -1 3 285.693 3.155 20 0 CGADHM C[C@@H](CC(=O)[N-]OCc1cccnc1)C1CCCCC1 ZINC000152710852 188038110 /nfs/dbraw/zinc/03/81/10/188038110.db2.gz NFWNWWRUEAZKQI-ZDUSSCGKSA-N -1 3 276.380 3.236 20 0 CGADHM Cc1ccc(NC(=O)c2cc(C(C)C)on2)c([O-])c1 ZINC000154429289 188141338 /nfs/dbraw/zinc/14/13/38/188141338.db2.gz IGXQCBAPWQIHBF-UHFFFAOYSA-N -1 3 260.293 3.064 20 0 CGADHM Cc1c(Cl)cccc1NC([O-])=NO[C@@H]1CCCCO1 ZINC000155432851 188205548 /nfs/dbraw/zinc/20/55/48/188205548.db2.gz GHRNXZLSVJGNDJ-GFCCVEGCSA-N -1 3 284.743 3.228 20 0 CGADHM Cc1c(Cl)cccc1NC(=O)[N-]O[C@@H]1CCCCO1 ZINC000155432851 188205549 /nfs/dbraw/zinc/20/55/49/188205549.db2.gz GHRNXZLSVJGNDJ-GFCCVEGCSA-N -1 3 284.743 3.228 20 0 CGADHM O=C(c1cccc([O-])c1)N1CCS[C@H](c2ccccc2)C1 ZINC000369417923 234373374 /nfs/dbraw/zinc/37/33/74/234373374.db2.gz MJKRLSPHJXLDRB-INIZCTEOSA-N -1 3 299.395 3.323 20 0 CGADHM COc1cccc(S[C@H](C)c2nc(C)cc(=O)[n-]2)c1 ZINC000155932083 188235915 /nfs/dbraw/zinc/23/59/15/188235915.db2.gz ZJTVPDAWMMBDKF-SNVBAGLBSA-N -1 3 276.361 3.353 20 0 CGADHM CSc1ccccc1NC([O-])=NOCCC(F)(F)F ZINC000156125515 188244505 /nfs/dbraw/zinc/24/45/05/188244505.db2.gz LOLASDDKEDQNML-UHFFFAOYSA-N -1 3 294.298 3.414 20 0 CGADHM CSc1ccccc1NC(=O)[N-]OCCC(F)(F)F ZINC000156125515 188244506 /nfs/dbraw/zinc/24/45/06/188244506.db2.gz LOLASDDKEDQNML-UHFFFAOYSA-N -1 3 294.298 3.414 20 0 CGADHM Cc1cccc(NC([O-])=NO[C@@H]2CCCCO2)c1Cl ZINC000156140925 188244976 /nfs/dbraw/zinc/24/49/76/188244976.db2.gz VZXBRJFGSCFVCB-LLVKDONJSA-N -1 3 284.743 3.228 20 0 CGADHM Cc1cccc(NC(=O)[N-]O[C@@H]2CCCCO2)c1Cl ZINC000156140925 188244977 /nfs/dbraw/zinc/24/49/77/188244977.db2.gz VZXBRJFGSCFVCB-LLVKDONJSA-N -1 3 284.743 3.228 20 0 CGADHM [O-]c1ccc(-c2noc([C@H]3CCCCS3)n2)cc1 ZINC000157721477 188334224 /nfs/dbraw/zinc/33/42/24/188334224.db2.gz VGRMZNBFRPBEHJ-LLVKDONJSA-N -1 3 262.334 3.400 20 0 CGADHM CC(C)N(C)c1ccc(NC(=O)[N-]OCC2CC2)cc1F ZINC000292751301 198399270 /nfs/dbraw/zinc/39/92/70/198399270.db2.gz UYOUVFVQOXNBFM-UHFFFAOYSA-N -1 3 295.358 3.133 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)Sc2ccncc2C)n1 ZINC000292715878 198387341 /nfs/dbraw/zinc/38/73/41/198387341.db2.gz HQOBEQMXVSNBFT-JTQLQIEISA-N -1 3 261.350 3.047 20 0 CGADHM Cc1cccc(-c2nc(-c3cn(C)nc3C(C)C)no2)c1[O-] ZINC000292963351 198477520 /nfs/dbraw/zinc/47/75/20/198477520.db2.gz HZLIIEHGKDZJOH-UHFFFAOYSA-N -1 3 298.346 3.275 20 0 CGADHM [O-]C(=NOC1CCCC1)Nc1ccc(Cl)c(F)c1 ZINC000271854082 191369582 /nfs/dbraw/zinc/36/95/82/191369582.db2.gz XHOYSXWDXDZVAK-UHFFFAOYSA-N -1 3 272.707 3.475 20 0 CGADHM O=C([N-]OC1CCCC1)Nc1ccc(Cl)c(F)c1 ZINC000271854082 191369585 /nfs/dbraw/zinc/36/95/85/191369585.db2.gz XHOYSXWDXDZVAK-UHFFFAOYSA-N -1 3 272.707 3.475 20 0 CGADHM Cc1cccc([O-])c1NC(=O)c1cc(CC(C)C)c[nH]1 ZINC000413669169 235301175 /nfs/dbraw/zinc/30/11/75/235301175.db2.gz RYMXLIFUZSSIJR-UHFFFAOYSA-N -1 3 272.348 3.480 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])[C@@H]1CCCCS1 ZINC000272990977 192011412 /nfs/dbraw/zinc/01/14/12/192011412.db2.gz WVBDRCSRWABPBJ-NSHDSACASA-N -1 3 271.769 3.270 20 0 CGADHM CCO[N-]C(=O)Nc1ccc(Br)cc1CC ZINC000273660912 192250020 /nfs/dbraw/zinc/25/00/20/192250020.db2.gz CIWGPVUQFIDKNH-UHFFFAOYSA-N -1 3 287.157 3.085 20 0 CGADHM COc1cccc([C@@H]2C[C@@H]2C(=O)Nc2ccccc2[O-])c1 ZINC000106902588 138355617 /nfs/dbraw/zinc/35/56/17/138355617.db2.gz UWGXYIZPVZHYOI-KBPBESRZSA-N -1 3 283.327 3.143 20 0 CGADHM C[C@H](CCC(=O)Nc1ccncc1[O-])c1ccccc1 ZINC000123731535 138369857 /nfs/dbraw/zinc/36/98/57/138369857.db2.gz VEYPRLRPHSVYEF-GFCCVEGCSA-N -1 3 270.332 3.310 20 0 CGADHM O=C(Nc1cccc([O-])c1F)[C@@H]1CCOc2ccccc21 ZINC000129549265 138397291 /nfs/dbraw/zinc/39/72/91/138397291.db2.gz XQMCJWHTXVZHII-LLVKDONJSA-N -1 3 287.290 3.036 20 0 CGADHM CC(C)[C@@H](c1ccccc1Cl)N(C)CCC(=O)[O-] ZINC000236711792 138514522 /nfs/dbraw/zinc/51/45/22/138514522.db2.gz KKKDKJTWQWTKNO-AWEZNQCLSA-N -1 3 269.772 3.444 20 0 CGADHM CO[C@]1(C)CCCN(Cc2cccc([O-])c2Cl)C1 ZINC000294605514 199104662 /nfs/dbraw/zinc/10/46/62/199104662.db2.gz IGBFSHPAEPYWIE-CQSZACIVSA-N -1 3 269.772 3.047 20 0 CGADHM C[C@H](C(=O)[O-])[C@@H](NCc1ccc(F)cc1)c1ccccc1 ZINC000426741860 236309938 /nfs/dbraw/zinc/30/99/38/236309938.db2.gz HQIQCJPRRIJUOK-BLLLJJGKSA-N -1 3 287.334 3.377 20 0 CGADHM O=C([O-])[C@H](NC/C=C\c1ccc(F)cc1)c1ccccc1 ZINC000426787959 236314892 /nfs/dbraw/zinc/31/48/92/236314892.db2.gz JDMLARVSWFILDD-YIEVGGLXSA-N -1 3 285.318 3.254 20 0 CGADHM Cc1cc(C)cc(CN[C@H](C(=O)[O-])c2cccc(F)c2)c1 ZINC000426804161 236315313 /nfs/dbraw/zinc/31/53/13/236315313.db2.gz SIDQJUJSRRUWBX-INIZCTEOSA-N -1 3 287.334 3.358 20 0 CGADHM CC(C)C[C@H](CNCc1csc(C(C)(C)C)n1)C(=O)[O-] ZINC000263492354 138573610 /nfs/dbraw/zinc/57/36/10/138573610.db2.gz PFSZGEAPJLJZHW-LLVKDONJSA-N -1 3 298.452 3.277 20 0 CGADHM COc1cc(C(=O)N2CC(C)(C)[C@@H]3CCC[C@@H]32)ccc1[O-] ZINC000294693369 199138173 /nfs/dbraw/zinc/13/81/73/199138173.db2.gz JYFFACFNVWUCGH-OLZOCXBDSA-N -1 3 289.375 3.052 20 0 CGADHM CSC[C@H]1CCCN(C(=O)c2ccc(C)c(C)c2[O-])C1 ZINC000294787709 199182942 /nfs/dbraw/zinc/18/29/42/199182942.db2.gz ZSXHAOQCUBRFSK-ZDUSSCGKSA-N -1 3 293.432 3.224 20 0 CGADHM C[C@H]1CCC[C@]1(C)C(=O)Nc1cccc([O-])c1F ZINC000336186483 213004470 /nfs/dbraw/zinc/00/44/70/213004470.db2.gz WGEPLYASAUUHBY-XPTSAGLGSA-N -1 3 251.301 3.296 20 0 CGADHM CCn1cc([C@@H](C)NCc2cccc([O-])c2Cl)cn1 ZINC000294860272 199218145 /nfs/dbraw/zinc/21/81/45/199218145.db2.gz OHSIYSIFPHKKBG-SNVBAGLBSA-N -1 3 279.771 3.113 20 0 CGADHM Cc1ccc(C(=O)NCC2CCC(F)(F)CC2)c([O-])c1 ZINC000436509794 237118889 /nfs/dbraw/zinc/11/88/89/237118889.db2.gz BXDIRNBIOJTBGP-UHFFFAOYSA-N -1 3 283.318 3.256 20 0 CGADHM C[C@H]1C[C@@H](c2nc(-c3ccc([O-])c4ccccc34)no2)CO1 ZINC000436619870 237145723 /nfs/dbraw/zinc/14/57/23/237145723.db2.gz SXVHHYLWZKTGCD-WDEREUQCSA-N -1 3 296.326 3.488 20 0 CGADHM Cc1ccc([O-])c(C(=O)N[C@H](C)CCc2ccc(O)cc2)c1 ZINC000436609860 237146665 /nfs/dbraw/zinc/14/66/65/237146665.db2.gz WQHRLAFAKIIBBN-CYBMUJFWSA-N -1 3 299.370 3.157 20 0 CGADHM [O-]C(=NOC1CCCC1)Nc1ccc2cnccc2c1 ZINC000296911999 200032205 /nfs/dbraw/zinc/03/22/05/200032205.db2.gz MNGRMVJANPSLFI-UHFFFAOYSA-N -1 3 271.320 3.231 20 0 CGADHM O=C([N-]OC1CCCC1)Nc1ccc2cnccc2c1 ZINC000296911999 200032207 /nfs/dbraw/zinc/03/22/07/200032207.db2.gz MNGRMVJANPSLFI-UHFFFAOYSA-N -1 3 271.320 3.231 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2Cc3ccccc3O[C@H](C)C2)c1 ZINC000436688196 237159709 /nfs/dbraw/zinc/15/97/09/237159709.db2.gz TWTMEPCYKJZWFN-CYBMUJFWSA-N -1 3 297.354 3.124 20 0 CGADHM Cc1ccc([O-])c(C(=O)NCCC2C[C@@H](C)O[C@H](C)C2)c1 ZINC000436697292 237161650 /nfs/dbraw/zinc/16/16/50/237161650.db2.gz JKZMNQMWUQHVFE-CHWSQXEVSA-N -1 3 291.391 3.024 20 0 CGADHM Cc1cc(C(=O)NCCC2C[C@H](C)O[C@@H](C)C2)ccc1[O-] ZINC000436710399 237162787 /nfs/dbraw/zinc/16/27/87/237162787.db2.gz SXIDDQHCMMDFHE-STQMWFEESA-N -1 3 291.391 3.024 20 0 CGADHM Cc1ccc(C(=O)N[C@@H]2COc3c2ccc(C)c3C)c([O-])c1 ZINC000436720534 237164927 /nfs/dbraw/zinc/16/49/27/237164927.db2.gz FVYDIBVLBAYXIC-OAHLLOKOSA-N -1 3 297.354 3.181 20 0 CGADHM C[C@@]1(CNC(=O)c2ccccc2[O-])C[C@H]1c1ccccc1 ZINC000436964558 237220816 /nfs/dbraw/zinc/22/08/16/237220816.db2.gz RIWPJBKUSHNIEB-YJBOKZPZSA-N -1 3 281.355 3.316 20 0 CGADHM O=C(NCCCc1ccc(Cl)cc1)c1ccccc1[O-] ZINC000436990285 237226558 /nfs/dbraw/zinc/22/65/58/237226558.db2.gz OKZYGSROSPQXOD-UHFFFAOYSA-N -1 3 289.762 3.408 20 0 CGADHM Cc1ncc(/C=C\c2nc(-c3ccc([O-])cc3)no2)s1 ZINC000436888185 237204016 /nfs/dbraw/zinc/20/40/16/237204016.db2.gz MBLXTZPWRKVPQW-SREVYHEPSA-N -1 3 285.328 3.378 20 0 CGADHM CSc1cccc(NC(=O)[N-]OCC2CC2)c1C ZINC000296928633 200037348 /nfs/dbraw/zinc/03/73/48/200037348.db2.gz ORIHSRXXDKPSBC-UHFFFAOYSA-N -1 3 266.366 3.180 20 0 CGADHM Cc1cc(CN(C)C(=O)c2ccccc2[O-])ccc1F ZINC000437006333 237229508 /nfs/dbraw/zinc/22/95/08/237229508.db2.gz XGUKUKOZHYVOOP-UHFFFAOYSA-N -1 3 273.307 3.112 20 0 CGADHM O=C([N-]OCC1CC1)Nc1ccc2c(c1)CCCC2 ZINC000297356117 200160538 /nfs/dbraw/zinc/16/05/38/200160538.db2.gz JRINIXZLBAMFBF-UHFFFAOYSA-N -1 3 260.337 3.029 20 0 CGADHM CNc1ccc(Cl)c(C(=O)Nc2cc(F)ccc2[O-])c1 ZINC000335953353 212745338 /nfs/dbraw/zinc/74/53/38/212745338.db2.gz RITWRRLZILXPEZ-UHFFFAOYSA-N -1 3 294.713 3.479 20 0 CGADHM CC(C)(C)Oc1cc(F)ccc1NC([O-])=NOCC1CC1 ZINC000297675358 200259385 /nfs/dbraw/zinc/25/93/85/200259385.db2.gz GJNCKAPKSAIELJ-UHFFFAOYSA-N -1 3 296.342 3.466 20 0 CGADHM CC(C)(C)Oc1cc(F)ccc1NC(=O)[N-]OCC1CC1 ZINC000297675358 200259387 /nfs/dbraw/zinc/25/93/87/200259387.db2.gz GJNCKAPKSAIELJ-UHFFFAOYSA-N -1 3 296.342 3.466 20 0 CGADHM CC[C@H](C)CON=C([O-])Nc1cccc2ccn(C)c21 ZINC000297681941 200260295 /nfs/dbraw/zinc/26/02/95/200260295.db2.gz GHTCYRARZDEZPW-NSHDSACASA-N -1 3 275.352 3.278 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)Nc1cccc2ccn(C)c21 ZINC000297681941 200260297 /nfs/dbraw/zinc/26/02/97/200260297.db2.gz GHTCYRARZDEZPW-NSHDSACASA-N -1 3 275.352 3.278 20 0 CGADHM CC[C@@H]1CCCN(C(=O)c2c[n-]c3ccc(C)cc3c2=O)C1 ZINC000342015607 216188652 /nfs/dbraw/zinc/18/86/52/216188652.db2.gz VWOGCHCUPOHRBA-CYBMUJFWSA-N -1 3 298.386 3.099 20 0 CGADHM CC1(C)CCC[C@@H](C(=O)Nc2nnc(-c3ccccn3)[n-]2)C1 ZINC000179344802 189187900 /nfs/dbraw/zinc/18/79/00/189187900.db2.gz UASYDSZUPQDFPT-LLVKDONJSA-N -1 3 299.378 3.022 20 0 CGADHM CC1(C)CCC[C@@H](C(=O)Nc2nc(-c3ccccn3)n[n-]2)C1 ZINC000179344802 189187901 /nfs/dbraw/zinc/18/79/01/189187901.db2.gz UASYDSZUPQDFPT-LLVKDONJSA-N -1 3 299.378 3.022 20 0 CGADHM CC1(C)CCC[C@@H](C(=O)Nc2n[n-]c(-c3ccccn3)n2)C1 ZINC000179344802 189187902 /nfs/dbraw/zinc/18/79/02/189187902.db2.gz UASYDSZUPQDFPT-LLVKDONJSA-N -1 3 299.378 3.022 20 0 CGADHM Cc1cccc([O-])c1NC(=O)CCO[C@H](C)CC(C)C ZINC000179560569 189202472 /nfs/dbraw/zinc/20/24/72/189202472.db2.gz IKOORZFPGWMTAB-CYBMUJFWSA-N -1 3 279.380 3.480 20 0 CGADHM CCC(CC)c1nnc([N-]C(=O)c2ccc(F)cn2)s1 ZINC000181490943 189297814 /nfs/dbraw/zinc/29/78/14/189297814.db2.gz NGQWLJGNYYAXGN-UHFFFAOYSA-N -1 3 294.355 3.228 20 0 CGADHM O=C([O-])CCCCN(Cc1ccccc1F)C1CC1 ZINC000181540837 189299811 /nfs/dbraw/zinc/29/98/11/189299811.db2.gz IHCJGATXVVGSQM-UHFFFAOYSA-N -1 3 265.328 3.045 20 0 CGADHM Cc1cc(C)c(NC([O-])=NOCc2cccnc2)c(C)c1 ZINC000182865356 189337302 /nfs/dbraw/zinc/33/73/02/189337302.db2.gz OUEHMOCRVKFJRR-UHFFFAOYSA-N -1 3 285.347 3.260 20 0 CGADHM Cc1cc(C)c(NC(=O)[N-]OCc2cccnc2)c(C)c1 ZINC000182865356 189337303 /nfs/dbraw/zinc/33/73/03/189337303.db2.gz OUEHMOCRVKFJRR-UHFFFAOYSA-N -1 3 285.347 3.260 20 0 CGADHM COc1cc([O-])cc(NC(=O)c2ccc(C)c(C(C)=O)c2)c1 ZINC000447550252 238886211 /nfs/dbraw/zinc/88/62/11/238886211.db2.gz NXSPRZGVKLKNQH-UHFFFAOYSA-N -1 3 299.326 3.164 20 0 CGADHM C[C@H]1CCCC[C@@H]1N(C)C(=O)Cc1ccc([O-])c(F)c1 ZINC000448656335 239010321 /nfs/dbraw/zinc/01/03/21/239010321.db2.gz NLWLFDXFZNRCMK-FZMZJTMJSA-N -1 3 279.355 3.111 20 0 CGADHM Cc1ccc(-c2noc([N-][C@@H](C)[C@@H]3CCCO3)n2)cc1 ZINC000302086704 201337263 /nfs/dbraw/zinc/33/72/63/201337263.db2.gz ZLZRLHZPLLZAKJ-AAEUAGOBSA-N -1 3 273.336 3.024 20 0 CGADHM CCC(CC)N(C(=O)c1cccc(C)c1[O-])C1CC1 ZINC000537638316 376190225 /nfs/dbraw/zinc/19/02/25/376190225.db2.gz MTSGIEIIQUVSIJ-UHFFFAOYSA-N -1 3 261.365 3.494 20 0 CGADHM C[C@H]1CCC[C@@H](NC(=O)Cc2ccc([O-])c(F)c2)CC1 ZINC000451022525 240192444 /nfs/dbraw/zinc/19/24/44/240192444.db2.gz BMGXQNVQAOCDOZ-WCQYABFASA-N -1 3 279.355 3.159 20 0 CGADHM CCC1([N-]S(=O)(=O)c2cccs2)CCCCC1 ZINC000451887283 240375896 /nfs/dbraw/zinc/37/58/96/240375896.db2.gz FQNVHALDXHMESN-UHFFFAOYSA-N -1 3 273.423 3.139 20 0 CGADHM O=C(Nc1ccccc1[O-])c1cncc2ccccc21 ZINC000120614813 370785794 /nfs/dbraw/zinc/78/57/94/370785794.db2.gz KKNNYSSIJSYTHN-UHFFFAOYSA-N -1 3 264.284 3.193 20 0 CGADHM CC(C)(CCNC(=O)NCc1ccc([O-])c(F)c1)C1CC1 ZINC000455064858 241179621 /nfs/dbraw/zinc/17/96/21/241179621.db2.gz MKVLMTFKFCXCPU-UHFFFAOYSA-N -1 3 294.370 3.157 20 0 CGADHM CCc1cc(C(=O)NC[C@@H]2CCCC2(F)F)ccc1[O-] ZINC000456144376 241366534 /nfs/dbraw/zinc/36/65/34/241366534.db2.gz MGWXUWXZENAZDC-LBPRGKRZSA-N -1 3 283.318 3.120 20 0 CGADHM Cc1ccc(C(=O)N2C[C@@H](C3CC3)[C@@H]2C2CC2)c([O-])c1C ZINC000456306975 241399002 /nfs/dbraw/zinc/39/90/02/241399002.db2.gz UFRBNIWHODLXDD-HOTGVXAUSA-N -1 3 285.387 3.270 20 0 CGADHM C[C@@]1(F)CCN(Cc2cccc([O-])c2Br)C1 ZINC000459348471 242084865 /nfs/dbraw/zinc/08/48/65/242084865.db2.gz DKTKSMNKUPOSKX-GFCCVEGCSA-N -1 3 288.160 3.089 20 0 CGADHM [O-]c1cccc(CN2CC3(C2)CCCC3)c1Cl ZINC000459568349 242133460 /nfs/dbraw/zinc/13/34/60/242133460.db2.gz WPYWFKOLTGHPGE-UHFFFAOYSA-N -1 3 251.757 3.422 20 0 CGADHM CC(C)[C@@H]1CCN1Cc1cccc([O-])c1Br ZINC000459364540 242092531 /nfs/dbraw/zinc/09/25/31/242092531.db2.gz SNFKYNYRDFYDHG-NSHDSACASA-N -1 3 284.197 3.385 20 0 CGADHM Cc1ccc([O-])c(C(=O)N[C@@H]2CC[C@H]3CCC[C@@H]3C2)c1 ZINC000460591615 242272060 /nfs/dbraw/zinc/27/20/60/242272060.db2.gz OOWQLAFBACRYDT-MGPQQGTHSA-N -1 3 273.376 3.399 20 0 CGADHM CCCCc1n[n-]c(=NC(C)(C)C)n1Cc1cccs1 ZINC000463105221 242386557 /nfs/dbraw/zinc/38/65/57/242386557.db2.gz FYNLBDPANSTJPS-UHFFFAOYSA-N -1 3 292.452 3.363 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])c1cccc(F)c1 ZINC000001006455 368400432 /nfs/dbraw/zinc/40/04/32/368400432.db2.gz AKUJSHIORQBECO-UHFFFAOYSA-N -1 3 265.671 3.437 20 0 CGADHM COc1cc(OC2CC2)ccc1C(=O)Nc1ccccc1[O-] ZINC000479664931 243118836 /nfs/dbraw/zinc/11/88/36/243118836.db2.gz STRIIZCZCBCWKH-UHFFFAOYSA-N -1 3 299.326 3.194 20 0 CGADHM COc1c(C)cc(C=Cc2nc(C)cc(=O)[n-]2)cc1C ZINC000486127371 243353438 /nfs/dbraw/zinc/35/34/38/243353438.db2.gz QSDLTMIEPMTAMB-AATRIKPKSA-N -1 3 270.332 3.286 20 0 CGADHM CCCOc1cccc(C=Cc2nc(C)cc(=O)[n-]2)c1 ZINC000486145791 243354565 /nfs/dbraw/zinc/35/45/65/243354565.db2.gz IYVHNRUZPMRAOL-FPLPWBNLSA-N -1 3 270.332 3.450 20 0 CGADHM Cc1ccc([O-])c(C(=O)NCc2cccc(Cl)c2)c1 ZINC000015009371 368688767 /nfs/dbraw/zinc/68/87/67/368688767.db2.gz LHMLEVSTNFVHCU-UHFFFAOYSA-N -1 3 275.735 3.284 20 0 CGADHM Cc1ccc(NC(=O)c2cc(-c3ccco3)[n-]n2)cc1F ZINC000028274333 368884817 /nfs/dbraw/zinc/88/48/17/368884817.db2.gz QDCSNDYEAYFDGT-UHFFFAOYSA-N -1 3 285.278 3.370 20 0 CGADHM Cc1ccc(NC(=O)c2cc(-c3ccco3)n[n-]2)cc1F ZINC000028274333 368884824 /nfs/dbraw/zinc/88/48/24/368884824.db2.gz QDCSNDYEAYFDGT-UHFFFAOYSA-N -1 3 285.278 3.370 20 0 CGADHM COc1ccc(C(=O)Nc2cc(Cl)ccc2[O-])cc1 ZINC000035086671 368996340 /nfs/dbraw/zinc/99/63/40/368996340.db2.gz ZGVCPENMOWKVDX-UHFFFAOYSA-N -1 3 277.707 3.307 20 0 CGADHM Cc1cccc(C(=O)N(C)[C@H]2CCC[C@@H](C)C2)c1[O-] ZINC000042355363 369216098 /nfs/dbraw/zinc/21/60/98/369216098.db2.gz LXDPVWKMTABSAV-YPMHNXCESA-N -1 3 261.365 3.351 20 0 CGADHM Cc1cccc(CN(C)C(=O)c2cc(C)ccc2[O-])c1 ZINC000042354531 369216233 /nfs/dbraw/zinc/21/62/33/369216233.db2.gz GMUWQFIYSGGJOD-UHFFFAOYSA-N -1 3 269.344 3.281 20 0 CGADHM O=C(/C=C/c1ccc(Cl)s1)[N-]OC/C=C/Cl ZINC000493469917 244169619 /nfs/dbraw/zinc/16/96/19/244169619.db2.gz UZXZRTKONCUMDZ-ZHPPZSSHSA-N -1 3 278.160 3.215 20 0 CGADHM Cc1cccnc1/C=C\C(=O)Nc1c([O-])cccc1Cl ZINC000493704103 244214728 /nfs/dbraw/zinc/21/47/28/244214728.db2.gz GSWMDPBAWWQJOB-FPLPWBNLSA-N -1 3 288.734 3.401 20 0 CGADHM Cn1ccc(/C=C\C(=O)Nc2ccc(Cl)cc2[O-])c1 ZINC000493722014 244219113 /nfs/dbraw/zinc/21/91/13/244219113.db2.gz LKMJIGKVPQUMOO-DJWKRKHSSA-N -1 3 276.723 3.036 20 0 CGADHM O=C(/C=C/c1cc2ccccc2o1)[N-]OC/C=C/Cl ZINC000493847098 244243429 /nfs/dbraw/zinc/24/34/29/244243429.db2.gz CKIGCHHAMJYBMC-KQYLTSGPSA-N -1 3 277.707 3.246 20 0 CGADHM CCN=c1[n-]c(C(=O)N(C)C2CCC(CC)CC2)cs1 ZINC000495165377 244362770 /nfs/dbraw/zinc/36/27/70/244362770.db2.gz DTBFDJRENVVQOA-UHFFFAOYSA-N -1 3 295.452 3.038 20 0 CGADHM O=C(N[C@H]1CCC12CCCC2)c1cc([O-])ccc1Cl ZINC000334223435 284168147 /nfs/dbraw/zinc/16/81/47/284168147.db2.gz XEWGLISVDJIPEF-ZDUSSCGKSA-N -1 3 279.767 3.498 20 0 CGADHM Cc1ccc(C(=O)N(C)CCc2cccs2)c([O-])c1 ZINC000075201128 369899395 /nfs/dbraw/zinc/89/93/95/369899395.db2.gz WCDGSPRYYJQFNN-UHFFFAOYSA-N -1 3 275.373 3.077 20 0 CGADHM Cc1ccc(NC(=O)c2c(F)cc(F)cc2F)c([O-])c1 ZINC000086997434 370024867 /nfs/dbraw/zinc/02/48/67/370024867.db2.gz VTKOSIZOUMRWDU-UHFFFAOYSA-N -1 3 281.233 3.370 20 0 CGADHM CN(Cc1ccc(Cl)s1)CC1(CC(=O)[O-])CC1 ZINC000088256006 370032858 /nfs/dbraw/zinc/03/28/58/370032858.db2.gz SJIWPWOAUAELIW-UHFFFAOYSA-N -1 3 273.785 3.088 20 0 CGADHM CC(C)Oc1cc(F)ccc1NC(=O)[N-]c1cnns1 ZINC000277125835 193561629 /nfs/dbraw/zinc/56/16/29/193561629.db2.gz SLSGDPUKJILLLI-UHFFFAOYSA-N -1 3 296.327 3.108 20 0 CGADHM C[C@@H]1CCC[C@H](CC(=O)Nc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000104367632 370343994 /nfs/dbraw/zinc/34/39/94/370343994.db2.gz KXYFBGMXPABVQH-NEPJUHHUSA-N -1 3 299.378 3.022 20 0 CGADHM C[C@@H]1CCC[C@H](CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000104367632 370344004 /nfs/dbraw/zinc/34/40/04/370344004.db2.gz KXYFBGMXPABVQH-NEPJUHHUSA-N -1 3 299.378 3.022 20 0 CGADHM Cc1ccc([O-])c(CN[C@@H](c2ccccc2)C2CC2)n1 ZINC000112716462 370446066 /nfs/dbraw/zinc/44/60/66/370446066.db2.gz RNOJPKRYKYQWDO-KRWDZBQOSA-N -1 3 268.360 3.337 20 0 CGADHM Cc1cc(C(=O)N2CCC(c3ccncc3)CC2)ccc1[O-] ZINC000277246274 193596456 /nfs/dbraw/zinc/59/64/56/193596456.db2.gz JSIFTGPDIXECHJ-UHFFFAOYSA-N -1 3 296.370 3.115 20 0 CGADHM O=C(Nc1ccc2[nH]ccc2c1)c1cc(-c2ccco2)[n-]n1 ZINC000112861105 370455007 /nfs/dbraw/zinc/45/50/07/370455007.db2.gz WNJCBSIEQZEEQB-UHFFFAOYSA-N -1 3 292.298 3.403 20 0 CGADHM O=C(Nc1ccc2[nH]ccc2c1)c1cc(-c2ccco2)n[n-]1 ZINC000112861105 370455009 /nfs/dbraw/zinc/45/50/09/370455009.db2.gz WNJCBSIEQZEEQB-UHFFFAOYSA-N -1 3 292.298 3.403 20 0 CGADHM CCCSCC(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000116980571 370576214 /nfs/dbraw/zinc/57/62/14/370576214.db2.gz WTPZLPXKSAVALJ-UHFFFAOYSA-N -1 3 273.785 3.436 20 0 CGADHM COc1ccc([O-])c(C(=O)N2CCC[C@@H]2CC(C)C)c1 ZINC000133223530 371237082 /nfs/dbraw/zinc/23/70/82/371237082.db2.gz YSULVBBYWOUHRK-GFCCVEGCSA-N -1 3 277.364 3.052 20 0 CGADHM C[C@H](CCC[C@H](C)C(=O)[O-])NCc1c(F)cccc1F ZINC000133767094 371277435 /nfs/dbraw/zinc/27/74/35/371277435.db2.gz KOMIKFJVJPVQOC-WDEREUQCSA-N -1 3 285.334 3.334 20 0 CGADHM Cc1onc(-c2ccncc2)c1C(=O)Nc1ccccc1[O-] ZINC000134225196 371312872 /nfs/dbraw/zinc/31/28/72/371312872.db2.gz NVCPXVAYZFQTON-UHFFFAOYSA-N -1 3 295.298 3.003 20 0 CGADHM O=C(c1ccccc1[O-])N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000135175758 371398274 /nfs/dbraw/zinc/39/82/74/371398274.db2.gz VIYRSZFNEGZRCW-AWEZNQCLSA-N -1 3 299.345 3.236 20 0 CGADHM C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)[N-]OCC(F)(F)F)o1 ZINC000135212898 371401480 /nfs/dbraw/zinc/40/14/80/371401480.db2.gz GSLHXFOGYWKQIV-AUYFGZFJSA-N -1 3 289.253 3.026 20 0 CGADHM Cc1cccc(CNC(=O)Cc2ccc([O-])cc2Cl)c1 ZINC000136134435 371463317 /nfs/dbraw/zinc/46/33/17/371463317.db2.gz OKFDSTXRGOZIDJ-UHFFFAOYSA-N -1 3 289.762 3.213 20 0 CGADHM Cc1ccc(C(=O)N(C)CCC(F)(F)F)c([O-])c1C ZINC000138613880 371505387 /nfs/dbraw/zinc/50/53/87/371505387.db2.gz MQYZMEONWIQLMS-UHFFFAOYSA-N -1 3 275.270 3.033 20 0 CGADHM C[C@H](N[C@@H](C)[C@H](C)C(=O)[O-])c1ccccc1Cl ZINC000148783972 371524339 /nfs/dbraw/zinc/52/43/39/371524339.db2.gz DJOHSFABKCWSTN-GUBZILKMSA-N -1 3 255.745 3.100 20 0 CGADHM COc1cccc(C(=O)N[C@@H]2CCCC(C)(C)C2)c1[O-] ZINC000149993268 371530912 /nfs/dbraw/zinc/53/09/12/371530912.db2.gz XQMBBKJCIIZFSS-LLVKDONJSA-N -1 3 277.364 3.099 20 0 CGADHM CCCC(CCC)C(=O)NCc1ccc([O-])c(F)c1 ZINC000151725869 371629420 /nfs/dbraw/zinc/62/94/20/371629420.db2.gz GGWWKWGJHGWLNG-UHFFFAOYSA-N -1 3 267.344 3.364 20 0 CGADHM CC[C@H]1C[C@@H](NC(=O)c2ccc(C(C)C)cc2[O-])CCO1 ZINC000421969174 371716847 /nfs/dbraw/zinc/71/68/47/371716847.db2.gz OJVGQSYGTUEAOE-KBPBESRZSA-N -1 3 291.391 3.203 20 0 CGADHM CC1(C)CCN(Cc2c(F)ccc([O-])c2F)CCS1 ZINC000353318134 220025406 /nfs/dbraw/zinc/02/54/06/220025406.db2.gz SFPVWFOTSCTMPJ-UHFFFAOYSA-N -1 3 287.375 3.388 20 0 CGADHM COc1ccccc1[C@@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC000153108725 371749743 /nfs/dbraw/zinc/74/97/43/371749743.db2.gz IKEFOBMROYSRMF-CYBMUJFWSA-N -1 3 297.354 3.031 20 0 CGADHM C[C@H]1CC[C@H](C(=O)[O-])CN1CCc1ccc(F)cc1Cl ZINC000422638450 371754339 /nfs/dbraw/zinc/75/43/39/371754339.db2.gz UECKBENQXHUJJB-JQWIXIFHSA-N -1 3 299.773 3.207 20 0 CGADHM COc1cccc(C(=O)[N-]c2c(C)noc2C2CC2)c1F ZINC000156536505 371982616 /nfs/dbraw/zinc/98/26/16/371982616.db2.gz ZPMIUKUGYYRQAS-UHFFFAOYSA-N -1 3 290.294 3.260 20 0 CGADHM O=C(NCC1(C2CC2)CCC1)c1cc([O-])ccc1Cl ZINC000290251939 371948405 /nfs/dbraw/zinc/94/84/05/371948405.db2.gz AWFIFJBYJPPHMP-UHFFFAOYSA-N -1 3 279.767 3.356 20 0 CGADHM CCCN(Cc1cc(C(=O)[O-])sc1C)C1CC1 ZINC000155953571 371954637 /nfs/dbraw/zinc/95/46/37/371954637.db2.gz VRHMWHRXHFTSRH-UHFFFAOYSA-N -1 3 253.367 3.129 20 0 CGADHM CCCc1nnc(NCc2c(F)ccc([O-])c2F)s1 ZINC000290971497 372084939 /nfs/dbraw/zinc/08/49/39/372084939.db2.gz QAHMVNHXBCCKHM-UHFFFAOYSA-N -1 3 285.319 3.087 20 0 CGADHM CSC[C@@H]1CCCN(Cc2cc([O-])cc(F)c2)C1 ZINC000292786211 372209811 /nfs/dbraw/zinc/20/98/11/372209811.db2.gz LXILTSWWCBSPJJ-LLVKDONJSA-N -1 3 269.385 3.106 20 0 CGADHM Cc1ccc(NC(=O)[N-]OCC(C)C)cc1-c1ncco1 ZINC000161112598 372302193 /nfs/dbraw/zinc/30/21/93/372302193.db2.gz KBBIUUCECOFFKZ-UHFFFAOYSA-N -1 3 289.335 3.359 20 0 CGADHM C[C@H]1C[C@@H](CCNCc2cccc([O-])c2Cl)CCO1 ZINC000293189851 372323820 /nfs/dbraw/zinc/32/38/20/372323820.db2.gz HYWRYBKXJWVWEF-RYUDHWBXSA-N -1 3 283.799 3.340 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)c2ccc(=O)[nH]c2C)c1[O-] ZINC000161719331 372349467 /nfs/dbraw/zinc/34/94/67/372349467.db2.gz UDZDYDULCJAGMR-UHFFFAOYSA-N -1 3 292.722 3.015 20 0 CGADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCC[C@@H]1C1CCC1 ZINC000263993739 296183595 /nfs/dbraw/zinc/18/35/95/296183595.db2.gz OQGBDWZPJMRVJZ-MRXNPFEDSA-N -1 3 296.370 3.345 20 0 CGADHM O=C(c1cc([O-])ccc1C(F)(F)F)N1CC(C2CCC2)C1 ZINC000341283247 296183619 /nfs/dbraw/zinc/18/36/19/296183619.db2.gz DDUDIYPIDYFRBM-UHFFFAOYSA-N -1 3 299.292 3.283 20 0 CGADHM CN(Cc1ccco1)Cc1cc([O-])ccc1Br ZINC000162173443 372378617 /nfs/dbraw/zinc/37/86/17/372378617.db2.gz MJQLKUHLHPJBAL-UHFFFAOYSA-N -1 3 296.164 3.380 20 0 CGADHM CC1(C)C[C@H]1C(=O)Nc1cc(Br)ccc1[O-] ZINC000162387475 372391510 /nfs/dbraw/zinc/39/15/10/372391510.db2.gz IGCBQQLMTGVSKN-QMMMGPOBSA-N -1 3 284.153 3.139 20 0 CGADHM CCCc1nc(C)c(C(=O)[N-]c2c(C)noc2CC)o1 ZINC000293548532 372408096 /nfs/dbraw/zinc/40/80/96/372408096.db2.gz UEEUQEVMWOGLFN-UHFFFAOYSA-N -1 3 277.324 3.047 20 0 CGADHM CCc1cc(=O)[n-]c(CN(Cc2ccccc2C)C2CC2)n1 ZINC000344402893 217182127 /nfs/dbraw/zinc/18/21/27/217182127.db2.gz LCNFPFUHSYIXPM-UHFFFAOYSA-N -1 3 297.402 3.218 20 0 CGADHM CCc1cc(=O)[n-]c(CN(C)C2CCC(CC)CC2)n1 ZINC000344365044 217170942 /nfs/dbraw/zinc/17/09/42/217170942.db2.gz LLJAURVGFXGSPT-UHFFFAOYSA-N -1 3 277.412 3.145 20 0 CGADHM CC(C)C[C@H]1C[C@@H](NCc2c(F)ccc([O-])c2F)CCO1 ZINC000293758965 372471483 /nfs/dbraw/zinc/47/14/83/372471483.db2.gz YVCCYYVLFKBWIL-RYUDHWBXSA-N -1 3 299.361 3.354 20 0 CGADHM Cc1cc(C(=O)N2CC(C)(C)[C@H]2C(C)C)ccc1[O-] ZINC000293795221 372484472 /nfs/dbraw/zinc/48/44/72/372484472.db2.gz FYDAZEHRXLXYHQ-CQSZACIVSA-N -1 3 261.365 3.207 20 0 CGADHM CCOC1(CNC(=O)c2cc([O-])ccc2Cl)CCCC1 ZINC000293895888 372515686 /nfs/dbraw/zinc/51/56/86/372515686.db2.gz GTYXEUOQQWOLRL-UHFFFAOYSA-N -1 3 297.782 3.125 20 0 CGADHM Cc1cc(C(=O)N2CC(C)(C)[C@@H]3CCC[C@@H]32)ccc1[O-] ZINC000294130067 372589443 /nfs/dbraw/zinc/58/94/43/372589443.db2.gz CRNVXSPDPKEOSQ-KGLIPLIRSA-N -1 3 273.376 3.351 20 0 CGADHM O=C([O-])Cc1ccccc1CNCc1ccc(Cl)cc1 ZINC000167591708 372599989 /nfs/dbraw/zinc/59/99/89/372599989.db2.gz KTCASXUIRLUUEV-UHFFFAOYSA-N -1 3 289.762 3.257 20 0 CGADHM Cc1cccc2c(=O)c(C(=O)N(C)CCC3CC3)c[n-]c12 ZINC000165212658 372545323 /nfs/dbraw/zinc/54/53/23/372545323.db2.gz XGIRYKSWLIEMIR-UHFFFAOYSA-N -1 3 284.359 3.121 20 0 CGADHM Cc1ccc(F)c(S(=O)(=O)[N-]C2CCC3(CC3)CC2)c1 ZINC000434778880 372710366 /nfs/dbraw/zinc/71/03/66/372710366.db2.gz VROZZVGFVHIWHD-UHFFFAOYSA-N -1 3 297.395 3.135 20 0 CGADHM COc1ccc([O-])c(C(=O)N2CCc3ccccc3[C@H]2C)c1 ZINC000171507325 372776698 /nfs/dbraw/zinc/77/66/98/372776698.db2.gz COAQBMDXFVKQHQ-GFCCVEGCSA-N -1 3 297.354 3.160 20 0 CGADHM Cc1csc(CNCc2cc([O-])cc(F)c2)c1 ZINC000344613457 217250169 /nfs/dbraw/zinc/25/01/69/217250169.db2.gz PDTGRAGJIFVJIT-UHFFFAOYSA-N -1 3 251.326 3.191 20 0 CGADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CC[C@@H]2CCC[C@H]21 ZINC000436834256 296190018 /nfs/dbraw/zinc/19/00/18/296190018.db2.gz LOSSPUGFVVWTPC-BLLLJJGKSA-N -1 3 285.387 3.286 20 0 CGADHM Cc1ccc(C(=O)N[C@H](C)c2ccsc2)c([O-])c1 ZINC000061367980 541884738 /nfs/dbraw/zinc/88/47/38/541884738.db2.gz ADWZLEVVFQQJTL-SNVBAGLBSA-N -1 3 261.346 3.253 20 0 CGADHM CCc1cc(=O)[n-]c(CN2CCC[C@@H]2C(C)(C)CC)n1 ZINC000441641171 373030650 /nfs/dbraw/zinc/03/06/50/373030650.db2.gz CCNJPALPDVDCBA-CYBMUJFWSA-N -1 3 277.412 3.145 20 0 CGADHM COc1ccc2occ(C(=O)Nc3ccccc3[O-])c2c1 ZINC000442288910 373048459 /nfs/dbraw/zinc/04/84/59/373048459.db2.gz FCDNWSGHRGFLEY-UHFFFAOYSA-N -1 3 283.283 3.399 20 0 CGADHM Cc1c(Br)ccc([O-])c1NC(=O)C(C)C ZINC000296167365 373043463 /nfs/dbraw/zinc/04/34/63/373043463.db2.gz SXONQRHRBCKKRY-UHFFFAOYSA-N -1 3 272.142 3.058 20 0 CGADHM CC(C)ON=C([O-])Nc1cccc(OC2CCCC2)c1 ZINC000296466667 373144351 /nfs/dbraw/zinc/14/43/51/373144351.db2.gz WBNIANZTDFBGOU-UHFFFAOYSA-N -1 3 278.352 3.470 20 0 CGADHM CC(C)O[N-]C(=O)Nc1cccc(OC2CCCC2)c1 ZINC000296466667 373144358 /nfs/dbraw/zinc/14/43/58/373144358.db2.gz WBNIANZTDFBGOU-UHFFFAOYSA-N -1 3 278.352 3.470 20 0 CGADHM CSc1ccccc1[N-]C(=O)c1oc(C)nc1C ZINC000173786984 373190687 /nfs/dbraw/zinc/19/06/87/373190687.db2.gz WXMQZRAHRXZBFK-UHFFFAOYSA-N -1 3 262.334 3.266 20 0 CGADHM CC[C@H](C)[C@@H](NC(=O)c1ccc([O-])c(C)c1)C(F)(F)F ZINC000444563361 373201210 /nfs/dbraw/zinc/20/12/10/373201210.db2.gz ZGIHIBJZMBXHNR-QPUJVOFHSA-N -1 3 289.297 3.407 20 0 CGADHM CCN(CCc1cccs1)C(=O)c1ccc(C)cc1[O-] ZINC000298386385 373312217 /nfs/dbraw/zinc/31/22/17/373312217.db2.gz SGTWVMLZJJOTKZ-UHFFFAOYSA-N -1 3 289.400 3.467 20 0 CGADHM Cc1ccc(C(=O)N2CCC3(CCCC3)C2)c([O-])c1 ZINC000174848933 373372770 /nfs/dbraw/zinc/37/27/70/373372770.db2.gz CYRBKOXNOFLSCD-UHFFFAOYSA-N -1 3 259.349 3.107 20 0 CGADHM Cc1ccccc1C[C@H](C)N(C)C(=O)c1cccc([O-])c1 ZINC000446984729 373392199 /nfs/dbraw/zinc/39/21/99/373392199.db2.gz KXLVVWUDNQIONC-AWEZNQCLSA-N -1 3 283.371 3.404 20 0 CGADHM Cc1cc(C(=O)N[C@@H]2CC[C@H](C)[C@H](C)C2)ccc1[O-] ZINC000300418992 373634529 /nfs/dbraw/zinc/63/45/29/373634529.db2.gz KGWOASUTKVGUSN-MISXGVKJSA-N -1 3 261.365 3.255 20 0 CGADHM C[C@@H]1CCCN(Cc2ccc(Cl)c(F)c2)[C@H]1C(=O)[O-] ZINC000300453826 373635769 /nfs/dbraw/zinc/63/57/69/373635769.db2.gz HEVZMSPIIYUIIR-NOZJJQNGSA-N -1 3 285.746 3.164 20 0 CGADHM Cc1ccccc1[C@@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC000299698701 373601726 /nfs/dbraw/zinc/60/17/26/373601726.db2.gz UPVOFOKVIBUCFK-CQSZACIVSA-N -1 3 281.355 3.330 20 0 CGADHM CCN(Cc1cccs1)C(=O)Cc1ccc([O-])c(F)c1 ZINC000448588289 373614509 /nfs/dbraw/zinc/61/45/09/373614509.db2.gz AZVOTLXHWQQDJA-UHFFFAOYSA-N -1 3 293.363 3.184 20 0 CGADHM CC1(C)CCC[C@@H](C(=O)Nc2nnc(-c3ccco3)[n-]2)C1 ZINC000178860106 373812494 /nfs/dbraw/zinc/81/24/94/373812494.db2.gz GVLAYSIZUKKPFP-SNVBAGLBSA-N -1 3 288.351 3.220 20 0 CGADHM CC1(C)CCC[C@@H](C(=O)Nc2nc(-c3ccco3)n[n-]2)C1 ZINC000178860106 373812503 /nfs/dbraw/zinc/81/25/03/373812503.db2.gz GVLAYSIZUKKPFP-SNVBAGLBSA-N -1 3 288.351 3.220 20 0 CGADHM CC1(C)CCC[C@@H](C(=O)Nc2n[n-]c(-c3ccco3)n2)C1 ZINC000178860106 373812509 /nfs/dbraw/zinc/81/25/09/373812509.db2.gz GVLAYSIZUKKPFP-SNVBAGLBSA-N -1 3 288.351 3.220 20 0 CGADHM CC(=O)c1ccc(C(=O)Nc2c(C)cccc2[O-])cc1 ZINC000179553641 373886518 /nfs/dbraw/zinc/88/65/18/373886518.db2.gz XRZVEKGUKSXACW-UHFFFAOYSA-N -1 3 269.300 3.156 20 0 CGADHM [O-]c1cccc(CNC[C@@H]2C[C@H]2C2CC2)c1Cl ZINC000449743043 373873584 /nfs/dbraw/zinc/87/35/84/373873584.db2.gz UFLIADSTAVWLLM-RYUDHWBXSA-N -1 3 251.757 3.181 20 0 CGADHM CCc1[n-][nH]c(=NC(=O)c2oc3ccccc3c2CC)c1C ZINC000449852063 373944888 /nfs/dbraw/zinc/94/48/88/373944888.db2.gz RXRJITVNLCRZHA-UHFFFAOYSA-N -1 3 297.358 3.263 20 0 CGADHM CC(C)[C@@H]1CCCN(C(=O)Cc2ccc([O-])c(F)c2)CC1 ZINC000449873973 373953286 /nfs/dbraw/zinc/95/32/86/373953286.db2.gz VTHKSKJDPJWWIW-CQSZACIVSA-N -1 3 293.382 3.359 20 0 CGADHM CC(=O)c1[n-]c(=N[C@H](C)CCc2ccco2)sc1C ZINC000450222822 374006041 /nfs/dbraw/zinc/00/60/41/374006041.db2.gz GUJCUHPHRLEALZ-SECBINFHSA-N -1 3 278.377 3.102 20 0 CGADHM CSc1ccc(CN=c2[n-]c(C(C)=O)c(C)s2)cc1 ZINC000450272537 374033064 /nfs/dbraw/zinc/03/30/64/374033064.db2.gz BVZLWJLHYXGIEC-UHFFFAOYSA-N -1 3 292.429 3.410 20 0 CGADHM O=C(CSc1ccc(Cl)cn1)Nc1ccccc1[O-] ZINC000180694207 374036486 /nfs/dbraw/zinc/03/64/86/374036486.db2.gz NBNSXOHSPDXYSJ-UHFFFAOYSA-N -1 3 294.763 3.171 20 0 CGADHM Cc1noc(C)c1[C@H](C)CC(=O)Nc1ccc([O-])cc1F ZINC000180852175 374052237 /nfs/dbraw/zinc/05/22/37/374052237.db2.gz NMBAKORJFBQTNT-MRVPVSSYSA-N -1 3 292.310 3.268 20 0 CGADHM C[C@@H]1CCN(C(=O)Cc2ccc([O-])c(F)c2)CC12CCC2 ZINC000450371742 374087205 /nfs/dbraw/zinc/08/72/05/374087205.db2.gz KAMBEQFQNZZFCY-GFCCVEGCSA-N -1 3 291.366 3.113 20 0 CGADHM C[C@@H]1SCCN(CCCCC(=O)[O-])[C@H]1c1ccccc1 ZINC000181566438 374141183 /nfs/dbraw/zinc/14/11/83/374141183.db2.gz QCQNMASVYOGGHA-XJKSGUPXSA-N -1 3 293.432 3.420 20 0 CGADHM CC(C)COc1ccc(NC(=O)c2cccc([O-])c2)cn1 ZINC000182461580 374276494 /nfs/dbraw/zinc/27/64/94/374276494.db2.gz MUKSUISBAJVNLC-UHFFFAOYSA-N -1 3 286.331 3.074 20 0 CGADHM O=C(c1cccc([O-])c1)N1CC2(CC2)c2ccccc21 ZINC000182488195 374281759 /nfs/dbraw/zinc/28/17/59/374281759.db2.gz JBKHWTBSYZBITC-UHFFFAOYSA-N -1 3 265.312 3.084 20 0 CGADHM C[C@H]1CN(C(=O)c2cccc([O-])c2)[C@H]1c1ccccc1 ZINC000182527094 374285875 /nfs/dbraw/zinc/28/58/75/374285875.db2.gz LJNCSPMNHBOWQQ-BLLLJJGKSA-N -1 3 267.328 3.225 20 0 CGADHM CCc1oc(C(=O)N2CCCc3cccc([O-])c32)cc1C ZINC000182930812 374344622 /nfs/dbraw/zinc/34/46/22/374344622.db2.gz GRCRLBWNUMJMQD-UHFFFAOYSA-N -1 3 285.343 3.449 20 0 CGADHM COCc1cccc(CN(C)Cc2ccc(C(=O)[O-])cc2)c1 ZINC000315830718 374332748 /nfs/dbraw/zinc/33/27/48/374332748.db2.gz AJZCCOAPWTVCEP-UHFFFAOYSA-N -1 3 299.370 3.163 20 0 CGADHM Cc1cccc(O[C@@H](C)C(=O)Nc2ccc([O-])cc2F)c1 ZINC000183264079 374394190 /nfs/dbraw/zinc/39/41/90/374394190.db2.gz IEOQFKFKLWJCCJ-NSHDSACASA-N -1 3 289.306 3.246 20 0 CGADHM CC(C)OCC(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000330420423 374462568 /nfs/dbraw/zinc/46/25/68/374462568.db2.gz XNRBGRRXSCYOOK-UHFFFAOYSA-N -1 3 265.353 3.053 20 0 CGADHM CCOC(=O)c1cc2scc(Br)c2[n-]1 ZINC000004967343 170046305 /nfs/dbraw/zinc/04/63/05/170046305.db2.gz KSONMHNRMJQMFE-UHFFFAOYSA-N -1 3 274.139 3.169 20 0 CGADHM O=[S@](Cc1ccc(Cl)cc1)c1cccc([O-])c1 ZINC000184067364 374487153 /nfs/dbraw/zinc/48/71/53/374487153.db2.gz JLPGUHDZTBAVAR-QGZVFWFLSA-N -1 3 266.749 3.353 20 0 CGADHM C[C@H](C(=O)Nc1ccc(Cl)cc1[O-])N1[C@H](C)CC[C@H]1C ZINC000330462042 374467463 /nfs/dbraw/zinc/46/74/63/374467463.db2.gz YHZCVFGXZVNRRX-GMTAPVOTSA-N -1 3 296.798 3.245 20 0 CGADHM CCc1cc(C(=O)N(CCOC)c2ccccc2)ccc1[O-] ZINC000456400914 374534931 /nfs/dbraw/zinc/53/49/31/374534931.db2.gz LSJNHDMLSZTWJI-UHFFFAOYSA-N -1 3 299.370 3.248 20 0 CGADHM Cc1cccc2c(=O)c(C(=O)N3CCCC3(C)C)c[n-]c12 ZINC000185411649 374657465 /nfs/dbraw/zinc/65/74/65/374657465.db2.gz VLOHPSVMLWEVQN-UHFFFAOYSA-N -1 3 284.359 3.263 20 0 CGADHM C[C@H](C1CC1)n1nccc1NCc1cc([O-])cc(F)c1 ZINC000185510488 374679067 /nfs/dbraw/zinc/67/90/67/374679067.db2.gz IWCDCECAMNHZNK-SNVBAGLBSA-N -1 3 275.327 3.311 20 0 CGADHM COC[C@@H](NCc1cc([O-])cc(F)c1)c1ccccc1 ZINC000185534803 374683199 /nfs/dbraw/zinc/68/31/99/374683199.db2.gz KJZPNPNIZDGANC-MRXNPFEDSA-N -1 3 275.323 3.009 20 0 CGADHM CC(C)[C@]1(C)C[C@H]1NC(=O)Cc1ccc([O-])cc1Cl ZINC000458106947 374689306 /nfs/dbraw/zinc/68/93/06/374689306.db2.gz DPBBUVJJBLUYIS-HIFRSBDPSA-N -1 3 281.783 3.139 20 0 CGADHM Nc1c(F)cc(Cl)cc1C(=O)Nc1ccccc1[O-] ZINC000334384476 374703881 /nfs/dbraw/zinc/70/38/81/374703881.db2.gz IKUPARWVUASHIX-UHFFFAOYSA-N -1 3 280.686 3.019 20 0 CGADHM CCc1ccc(C(=O)N(C)C2CC(C)(C)C2)c([O-])c1 ZINC000458181586 374714994 /nfs/dbraw/zinc/71/49/94/374714994.db2.gz IBZGQTSDUNLXGF-UHFFFAOYSA-N -1 3 261.365 3.215 20 0 CGADHM [O-]c1cc(F)cc(CN2CCc3sccc3C2)c1 ZINC000186172406 374808725 /nfs/dbraw/zinc/80/87/25/374808725.db2.gz GWBFKGBPVHJCMT-UHFFFAOYSA-N -1 3 263.337 3.151 20 0 CGADHM Cc1cc(CNC(=O)c2cccc([O-])c2)ccc1Cl ZINC000186306046 374829620 /nfs/dbraw/zinc/82/96/20/374829620.db2.gz JHCFPLUAXLBRMO-UHFFFAOYSA-N -1 3 275.735 3.284 20 0 CGADHM C[C@@]1(NC(=O)CCCc2ccc([O-])c(F)c2)CC=CCC1 ZINC000458353314 374777725 /nfs/dbraw/zinc/77/77/25/374777725.db2.gz VPXRTHBMHNZPBX-QGZVFWFLSA-N -1 3 291.366 3.469 20 0 CGADHM Cc1cccc(C(=O)Nc2cnn([C@H](C)C3CC3)c2)c1[O-] ZINC000186340631 374835899 /nfs/dbraw/zinc/83/58/99/374835899.db2.gz TYPQWKUSDSCENF-LLVKDONJSA-N -1 3 285.347 3.120 20 0 CGADHM C[C@@H]1CCC[C@]1(C)C(=O)Nc1ccc([O-])cc1F ZINC000334679198 374969505 /nfs/dbraw/zinc/96/95/05/374969505.db2.gz LKAIXXVOOPIMQJ-OTYXRUKQSA-N -1 3 251.301 3.296 20 0 CGADHM COCc1cccc(CC(=O)Nc2c(C)cccc2[O-])c1 ZINC000187494437 375030845 /nfs/dbraw/zinc/03/08/45/375030845.db2.gz AFWCBUBNNWBPGI-UHFFFAOYSA-N -1 3 285.343 3.028 20 0 CGADHM CC[C@H](N)C(=O)Nc1c([O-])c(Cl)cc(Cl)c1Cl ZINC000335026223 375079671 /nfs/dbraw/zinc/07/96/71/375079671.db2.gz DIMJJCBULCYRHI-LURJTMIESA-N -1 3 297.569 3.028 20 0 CGADHM CCSc1cccc(NC(=O)c2cccc3nn[n-]c32)c1 ZINC000187974870 375129601 /nfs/dbraw/zinc/12/96/01/375129601.db2.gz IEMZZZCZZYXACT-UHFFFAOYSA-N -1 3 298.371 3.322 20 0 CGADHM CCSc1cccc(NC(=O)c2cccc3[n-]nnc32)c1 ZINC000187974870 375129608 /nfs/dbraw/zinc/12/96/08/375129608.db2.gz IEMZZZCZZYXACT-UHFFFAOYSA-N -1 3 298.371 3.322 20 0 CGADHM CCSc1cccc(NC(=O)c2cccc3n[n-]nc32)c1 ZINC000187974870 375129614 /nfs/dbraw/zinc/12/96/14/375129614.db2.gz IEMZZZCZZYXACT-UHFFFAOYSA-N -1 3 298.371 3.322 20 0 CGADHM Cc1o[n-]c(=NC(=O)c2cc(C)c(C)cc2Cl)c1C ZINC000335422262 375280549 /nfs/dbraw/zinc/28/05/49/375280549.db2.gz QIKLVESUHSLWID-UHFFFAOYSA-N -1 3 278.739 3.236 20 0 CGADHM O=c1cc(CSc2ccccc2Cl)occ1[O-] ZINC000335452125 375304386 /nfs/dbraw/zinc/30/43/86/375304386.db2.gz YBZHOJVVFBSOAC-UHFFFAOYSA-N -1 3 268.721 3.291 20 0 CGADHM O=C([C@H]1CC12CCCC2)N1CCCc2cccc([O-])c21 ZINC000490877507 375323030 /nfs/dbraw/zinc/32/30/30/375323030.db2.gz KRKKZIFVRHSXLB-CYBMUJFWSA-N -1 3 271.360 3.252 20 0 CGADHM C[C@@H]([N-]S(=O)(=O)c1ccco1)[C@@H](C)C1CCCCC1 ZINC000188744486 375262705 /nfs/dbraw/zinc/26/27/05/375262705.db2.gz VPBIEFHJXLQRIB-VXGBXAGGSA-N -1 3 285.409 3.163 20 0 CGADHM CCc1ccc(-c2nc(-c3ccc(OC)nc3)no2)c([O-])c1 ZINC000189169669 375335123 /nfs/dbraw/zinc/33/51/23/375335123.db2.gz PGEUOJMJLTXBKL-UHFFFAOYSA-N -1 3 297.314 3.075 20 0 CGADHM Cc1nsc(C)c1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000335714288 375370256 /nfs/dbraw/zinc/37/02/56/375370256.db2.gz JWQAQYAPAYGVON-UHFFFAOYSA-N -1 3 282.752 3.371 20 0 CGADHM CC(C)CC[C@@H](C)[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000024701046 572335282 /nfs/dbraw/zinc/33/52/82/572335282.db2.gz HFQUQIIXKGGLDP-SNVBAGLBSA-N -1 3 291.363 3.068 20 0 CGADHM CC(C)(C)c1ccc(NC(=O)[N-]OC[C@H]2CCOC2)cc1 ZINC000189438371 375388147 /nfs/dbraw/zinc/38/81/47/375388147.db2.gz HHAHOPXRLIFUHD-LBPRGKRZSA-N -1 3 292.379 3.074 20 0 CGADHM CC(C)C1CCC(N(C)C(=O)c2csc(=O)[n-]2)CC1 ZINC000335824843 375460394 /nfs/dbraw/zinc/46/03/94/375460394.db2.gz CHDHPPFEYWQGKP-UHFFFAOYSA-N -1 3 282.409 3.136 20 0 CGADHM CCc1ccc(C(=O)Nc2ccccc2COC)c([O-])c1 ZINC000189725277 375438926 /nfs/dbraw/zinc/43/89/26/375438926.db2.gz AAZWPPTZDIQFFQ-UHFFFAOYSA-N -1 3 285.343 3.353 20 0 CGADHM O=C(Nc1ccccc1[O-])[C@@H]1CCCc2c(O)cccc21 ZINC000190171200 375483414 /nfs/dbraw/zinc/48/34/14/375483414.db2.gz FFZPWQANGAPTFJ-CYBMUJFWSA-N -1 3 283.327 3.156 20 0 CGADHM CC(C)C1(C)CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000190351605 375498967 /nfs/dbraw/zinc/49/89/67/375498967.db2.gz NNVFWAFQMNHCPC-UHFFFAOYSA-N -1 3 261.365 3.291 20 0 CGADHM O=C(NCc1ccc([O-])c(F)c1)c1sccc1Cl ZINC000335944271 375559636 /nfs/dbraw/zinc/55/96/36/375559636.db2.gz ZCEQKESNVROOEY-UHFFFAOYSA-N -1 3 285.727 3.176 20 0 CGADHM CCCCCC(=O)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000497864225 375614115 /nfs/dbraw/zinc/61/41/15/375614115.db2.gz PLWGYWQYRXVEQO-UHFFFAOYSA-N -1 3 257.337 3.017 20 0 CGADHM C[C@@H](c1cccc(Cl)c1)N1CCC[C@@H](C(=O)[O-])C1 ZINC000226396398 296232494 /nfs/dbraw/zinc/23/24/94/296232494.db2.gz RAFDHTTTXDGVCA-CMPLNLGQSA-N -1 3 267.756 3.198 20 0 CGADHM Cc1cccc(C)c1C(=O)Nc1cccc([O-])c1F ZINC000334267798 206282060 /nfs/dbraw/zinc/28/20/60/206282060.db2.gz PGIKBGVRDNBDEF-UHFFFAOYSA-N -1 3 259.280 3.400 20 0 CGADHM Cc1cccc([C@H]2CCCN2C(=O)c2ccc([O-])c(C)c2)n1 ZINC000336157108 375734058 /nfs/dbraw/zinc/73/40/58/375734058.db2.gz HWEYPHSBGRTWGH-MRXNPFEDSA-N -1 3 296.370 3.381 20 0 CGADHM CCc1nc(C)c(NC(=O)c2ccc([O-])c(C)c2)s1 ZINC000336157645 375734460 /nfs/dbraw/zinc/73/44/60/375734460.db2.gz VCSNWDCDCQDMIC-UHFFFAOYSA-N -1 3 276.361 3.280 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)N[C@@H](C)c2ccc(F)c(F)c2)n1 ZINC000192722423 375782489 /nfs/dbraw/zinc/78/24/89/375782489.db2.gz UQRXQYJUXKCZFB-VHSXEESVSA-N -1 3 293.317 3.181 20 0 CGADHM Cc1ccc([C@H](C)N[C@H](C)c2nc(C)cc(=O)[n-]2)cc1 ZINC000192724138 375783480 /nfs/dbraw/zinc/78/34/80/375783480.db2.gz HIWDERRSPYPDQP-QWHCGFSZSA-N -1 3 271.364 3.211 20 0 CGADHM Cc1ccnc(C(=O)[N-]c2c(F)cc(Cl)c(C)c2F)n1 ZINC000336196695 375757843 /nfs/dbraw/zinc/75/78/43/375757843.db2.gz RCXUQIGFZUXCJE-UHFFFAOYSA-N -1 3 297.692 3.277 20 0 CGADHM CC[C@@H]1C[C@H](C)CN1C(=O)Cc1ccc([O-])cc1Cl ZINC000509127422 375772995 /nfs/dbraw/zinc/77/29/95/375772995.db2.gz WGNNALPCNQMWAH-CMPLNLGQSA-N -1 3 281.783 3.235 20 0 CGADHM CN(C(=O)c1cccc([O-])c1)[C@H]1CCc2ccccc21 ZINC000193062661 375820958 /nfs/dbraw/zinc/82/09/58/375820958.db2.gz KEGGCZBAYCZKOV-INIZCTEOSA-N -1 3 267.328 3.152 20 0 CGADHM Cc1noc(C2CC2)c1NC(=O)c1cc([O-])ccc1Cl ZINC000336397559 375788146 /nfs/dbraw/zinc/78/81/46/375788146.db2.gz TVFPZNCLRGLRJW-UHFFFAOYSA-N -1 3 292.722 3.472 20 0 CGADHM CCC[C@H](CC)[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000519486357 375840676 /nfs/dbraw/zinc/84/06/76/375840676.db2.gz XMKZFZDGDNCAJE-VIFPVBQESA-N -1 3 293.791 3.336 20 0 CGADHM CCc1ccc(CSc2ncc(C(=O)OC)[n-]2)cc1 ZINC000193537861 375893381 /nfs/dbraw/zinc/89/33/81/375893381.db2.gz AHELDFCGDQILIS-UHFFFAOYSA-N -1 3 276.361 3.051 20 0 CGADHM Cc1ccc(C(=O)Nc2cccc(-n3ccnc3)c2)c([O-])c1 ZINC000193364849 375870100 /nfs/dbraw/zinc/87/01/00/375870100.db2.gz USNAFWKSBGPFBK-UHFFFAOYSA-N -1 3 293.326 3.139 20 0 CGADHM [O-]c1cccc(CNCCc2ccsc2)c1Cl ZINC000336885075 376017355 /nfs/dbraw/zinc/01/73/55/376017355.db2.gz AEUMBZAEUBOEOV-UHFFFAOYSA-N -1 3 267.781 3.439 20 0 CGADHM O=C(N=c1cc(-c2ccccc2)[n-][nH]1)c1ccoc1C1CC1 ZINC000336892354 376020839 /nfs/dbraw/zinc/02/08/39/376020839.db2.gz OOQLZHNZZHPYDL-UHFFFAOYSA-N -1 3 293.326 3.221 20 0 CGADHM CC/C=C(\C)C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000195488644 376105564 /nfs/dbraw/zinc/10/55/64/376105564.db2.gz JKYKPCNGKPKUHV-VZUCSPMQSA-N -1 3 297.358 3.040 20 0 CGADHM CCc1cccc(C(=O)N[C@@H](C)c2ccncc2CC)c1[O-] ZINC000536886000 376141552 /nfs/dbraw/zinc/14/15/52/376141552.db2.gz NJGDWXLMDLUXGC-LBPRGKRZSA-N -1 3 298.386 3.403 20 0 CGADHM Cc1ccc([O-])c(C(=O)NC2(c3ccc(F)cc3)CC2)c1 ZINC000536726889 376126165 /nfs/dbraw/zinc/12/61/65/376126165.db2.gz XXZBCOFRBHBBMN-UHFFFAOYSA-N -1 3 285.318 3.259 20 0 CGADHM Cc1ccoc1C(=O)N=c1cc(-c2cc(C)cc(C)c2)[n-][nH]1 ZINC000338106255 376257297 /nfs/dbraw/zinc/25/72/97/376257297.db2.gz ZBMKXDQDAHWCCA-UHFFFAOYSA-N -1 3 295.342 3.269 20 0 CGADHM CCc1ccc(N[C@@H](C)C(=O)[N-]c2cc(C)no2)cc1C ZINC000539853168 376342133 /nfs/dbraw/zinc/34/21/33/376342133.db2.gz DOGUBVDOOPKKMW-LBPRGKRZSA-N -1 3 287.363 3.293 20 0 CGADHM CCc1ccccc1[C@@H]1C[C@@H]1C(=O)Nc1ncccc1[O-] ZINC000338543097 376417662 /nfs/dbraw/zinc/41/76/62/376417662.db2.gz WOYJXONLLIYOIO-KBPBESRZSA-N -1 3 282.343 3.092 20 0 CGADHM CCc1nc(NC(=O)c2ccc([O-])c(C)c2)sc1C ZINC000226716679 376369127 /nfs/dbraw/zinc/36/91/27/376369127.db2.gz QXBOUVPWFGQESX-UHFFFAOYSA-N -1 3 276.361 3.280 20 0 CGADHM CCN(Cc1cccs1)C(=O)c1ccc([O-])c(C)c1 ZINC000226715673 376369253 /nfs/dbraw/zinc/36/92/53/376369253.db2.gz XTRSLCLQSJCVAI-UHFFFAOYSA-N -1 3 275.373 3.424 20 0 CGADHM CS[C@@H]1CCC[C@@H](NC(=O)c2ccc([O-])c(C)c2)C1 ZINC000226717826 376369916 /nfs/dbraw/zinc/36/99/16/376369916.db2.gz ZTINLEDSNAJDOP-CHWSQXEVSA-N -1 3 279.405 3.105 20 0 CGADHM Cc1cc(C(=O)N[C@H](C)CCc2ccco2)ccc1[O-] ZINC000227013838 376377554 /nfs/dbraw/zinc/37/75/54/376377554.db2.gz DMSFBKBOKKXMMC-GFCCVEGCSA-N -1 3 273.332 3.045 20 0 CGADHM Cc1cc(C(=O)N[C@H](C)C2CCCCC2)ccc1[O-] ZINC000227034429 376379381 /nfs/dbraw/zinc/37/93/81/376379381.db2.gz ARVDYABSJKXVRX-GFCCVEGCSA-N -1 3 261.365 3.399 20 0 CGADHM Cc1cnc([C@@H](C)NC(=O)c2cc([O-])ccc2Cl)s1 ZINC000235208097 376635228 /nfs/dbraw/zinc/63/52/28/376635228.db2.gz AWTLKZJFXAEUSD-MRVPVSSYSA-N -1 3 296.779 3.302 20 0 CGADHM C[C@H]1SCCN(C(=O)c2cc([O-])ccc2Cl)[C@H]1C ZINC000235684150 376649238 /nfs/dbraw/zinc/64/92/38/376649238.db2.gz SAJVYJFBGVQJPE-DTWKUNHWSA-N -1 3 285.796 3.012 20 0 CGADHM COc1cc(C=Cc2nc(C)cc(=O)[n-]2)ccc1SC ZINC000339115807 376689821 /nfs/dbraw/zinc/68/98/21/376689821.db2.gz UFOOREUJMBWWRK-FNORWQNLSA-N -1 3 288.372 3.392 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2ccc(Cl)s2)n1 ZINC000339116081 376689948 /nfs/dbraw/zinc/68/99/48/376689948.db2.gz LPUVMJPSMZURQT-HWKANZROSA-N -1 3 252.726 3.376 20 0 CGADHM CCOc1cccc(C=Cc2nc(C)cc(=O)[n-]2)c1 ZINC000339115210 376690603 /nfs/dbraw/zinc/69/06/03/376690603.db2.gz MJXIKUDQQWSJMW-FPLPWBNLSA-N -1 3 256.305 3.060 20 0 CGADHM C[C@@H](C[C@H]1CCCO1)NCc1cccc([O-])c1Cl ZINC000339215132 376736526 /nfs/dbraw/zinc/73/65/26/376736526.db2.gz QJUNEYVSCUCJNH-CMPLNLGQSA-N -1 3 269.772 3.093 20 0 CGADHM CCCCO[C@@H](C)c1nc(-c2ccc([O-])cc2)no1 ZINC000264632809 190124230 /nfs/dbraw/zinc/12/42/30/190124230.db2.gz OWGZRDUBBRHGKX-JTQLQIEISA-N -1 3 262.309 3.320 20 0 CGADHM CCc1cccc(-c2nc(CCCOC(C)C)no2)c1[O-] ZINC000545043200 376780175 /nfs/dbraw/zinc/78/01/75/376780175.db2.gz ZCOFJJHXSMZOEV-UHFFFAOYSA-N -1 3 290.363 3.362 20 0 CGADHM O=C(COc1ccccc1)Nc1ccc(Cl)cc1[O-] ZINC000153427231 542112239 /nfs/dbraw/zinc/11/22/39/542112239.db2.gz QGPPVHWWCUIEBC-UHFFFAOYSA-N -1 3 277.707 3.063 20 0 CGADHM O=C([O-])C[C@@H]1CCCN(Cc2cc3cc(F)ccc3o2)C1 ZINC000556919453 376906624 /nfs/dbraw/zinc/90/66/24/376906624.db2.gz VLPGNNNXBLVWJV-NSHDSACASA-N -1 3 291.322 3.259 20 0 CGADHM CC[C@H](C(=O)Nc1cc(F)ccc1[O-])c1c(C)noc1C ZINC000340327404 377002520 /nfs/dbraw/zinc/00/25/20/377002520.db2.gz KUKBLFDERZRZOY-NSHDSACASA-N -1 3 292.310 3.268 20 0 CGADHM COc1ccc([O-])c(C(=O)N2[C@H](C)C[C@@H]3CCCC[C@H]32)c1 ZINC000246799152 377091626 /nfs/dbraw/zinc/09/16/26/377091626.db2.gz PBPXLCXSNKNMQV-TYNCELHUSA-N -1 3 289.375 3.194 20 0 CGADHM CC[C@H](NC(=O)c1cc([O-])ccc1Cl)c1ccncc1 ZINC000340653046 377193088 /nfs/dbraw/zinc/19/30/88/377193088.db2.gz YVHLCDFNGITJBJ-AWEZNQCLSA-N -1 3 290.750 3.322 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCSCC1 ZINC000264825244 190136582 /nfs/dbraw/zinc/13/65/82/190136582.db2.gz ODGWHPXGNRDSBL-UHFFFAOYSA-N -1 3 271.769 3.127 20 0 CGADHM CC(C)(C)CCSc1n[n-]c(-c2ccccn2)n1 ZINC000340673885 377206639 /nfs/dbraw/zinc/20/66/39/377206639.db2.gz FZDSPQHRCHLRCH-UHFFFAOYSA-N -1 3 262.382 3.395 20 0 CGADHM C[C@H]1C[C@H](C(=O)Nc2nnc(-c3ccco3)[n-]2)C[C@@H](C)C1 ZINC000248590780 377359961 /nfs/dbraw/zinc/35/99/61/377359961.db2.gz RRKOAWZIYWBUQH-URLYPYJESA-N -1 3 288.351 3.076 20 0 CGADHM C[C@H]1C[C@H](C(=O)Nc2nc(-c3ccco3)n[n-]2)C[C@@H](C)C1 ZINC000248590780 377359974 /nfs/dbraw/zinc/35/99/74/377359974.db2.gz RRKOAWZIYWBUQH-URLYPYJESA-N -1 3 288.351 3.076 20 0 CGADHM C[C@H]1C[C@H](C(=O)Nc2n[n-]c(-c3ccco3)n2)C[C@@H](C)C1 ZINC000248590780 377359981 /nfs/dbraw/zinc/35/99/81/377359981.db2.gz RRKOAWZIYWBUQH-URLYPYJESA-N -1 3 288.351 3.076 20 0 CGADHM C/C=C/c1ccc([N-]S(=O)(=O)C[C@H]2CCCCO2)cc1 ZINC000341058634 377379190 /nfs/dbraw/zinc/37/91/90/377379190.db2.gz DVTHZTCFLPQPDF-FIMWJMCYSA-N -1 3 295.404 3.031 20 0 CGADHM CN(CC1CC1)[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC000563277333 377429284 /nfs/dbraw/zinc/42/92/84/377429284.db2.gz FZBPWQIKGNSFDF-GFCCVEGCSA-N -1 3 288.174 3.461 20 0 CGADHM C[C@@H](CN(C)Cc1occc1C(=O)[O-])c1ccccc1 ZINC000563278258 377432761 /nfs/dbraw/zinc/43/27/61/377432761.db2.gz UQEZBWCIBYYQIZ-LBPRGKRZSA-N -1 3 273.332 3.213 20 0 CGADHM Cc1c2ccccc2nc(CN(C)[C@H]2CC2(C)C)c1C(=O)[O-] ZINC000563282720 377435700 /nfs/dbraw/zinc/43/57/00/377435700.db2.gz LLEJUGJDMRCCHG-HNNXBMFYSA-N -1 3 298.386 3.472 20 0 CGADHM CCc1cccc(F)c1CN1CCC[C@H](CC(=O)[O-])C1 ZINC000563397181 377457831 /nfs/dbraw/zinc/45/78/31/377457831.db2.gz WCGGPMBENQHSCB-GFCCVEGCSA-N -1 3 279.355 3.075 20 0 CGADHM C[C@H]1CCN(Cc2ccc(C(=O)[O-])c(F)c2)CC1(C)C ZINC000563454223 377470259 /nfs/dbraw/zinc/47/02/59/377470259.db2.gz PQVOSEZXCHACPP-NSHDSACASA-N -1 3 279.355 3.392 20 0 CGADHM [O-]c1ccc(-c2noc([C@H]3Cc4ccccc43)n2)cc1 ZINC000090985012 249030846 /nfs/dbraw/zinc/03/08/46/249030846.db2.gz HGBQOMALWMEBCF-AWEZNQCLSA-N -1 3 264.284 3.130 20 0 CGADHM CSCc1ccc(NC(=O)c2c([O-])cccc2O)cc1 ZINC000092120859 249032932 /nfs/dbraw/zinc/03/29/32/249032932.db2.gz HDBUTJCDDFRUPO-UHFFFAOYSA-N -1 3 289.356 3.213 20 0 CGADHM O=C(CSc1ccccc1)N1CCCc2cccc([O-])c21 ZINC000092231124 249032938 /nfs/dbraw/zinc/03/29/38/249032938.db2.gz KEFIRRPJOFMKMX-UHFFFAOYSA-N -1 3 299.395 3.464 20 0 CGADHM CC[C@H](CNC(=O)c1c([O-])cccc1O)c1ccccc1 ZINC000092103523 249032998 /nfs/dbraw/zinc/03/29/98/249032998.db2.gz DGAQGVRDXVOSOS-GFCCVEGCSA-N -1 3 285.343 3.021 20 0 CGADHM CC(C)(C)SCc1nc(-c2ccc([O-])cc2)no1 ZINC000265069152 190155846 /nfs/dbraw/zinc/15/58/46/190155846.db2.gz WRIJUUFFFQPVGL-UHFFFAOYSA-N -1 3 264.350 3.474 20 0 CGADHM [O-]c1cc2c(cc1-c1nc([C@@H]3CCCO3)no1)CCCC2 ZINC000274067627 249065452 /nfs/dbraw/zinc/06/54/52/249065452.db2.gz FHDWYYFIFFCSMA-AWEZNQCLSA-N -1 3 286.331 3.173 20 0 CGADHM [O-]c1ccc(Sc2nnc(-c3ccccn3)s2)cc1 ZINC000360952966 249112792 /nfs/dbraw/zinc/11/27/92/249112792.db2.gz GTUKUWIKSGOXNQ-UHFFFAOYSA-N -1 3 287.369 3.457 20 0 CGADHM COc1ccc([O-])c(-c2nc(Cc3ccccc3C)no2)c1 ZINC000315498449 249099256 /nfs/dbraw/zinc/09/92/56/249099256.db2.gz DHCWRUBTKOTGBY-UHFFFAOYSA-N -1 3 296.326 3.350 20 0 CGADHM C/C=C\c1ccc(N[C@H](C)C(=O)[N-]c2cc(C)no2)cc1 ZINC000487968747 249172100 /nfs/dbraw/zinc/17/21/00/249172100.db2.gz NTVFLJWIZMUYDH-QMAVJUDZSA-N -1 3 285.347 3.455 20 0 CGADHM [O-]c1cccnc1CN[C@H](c1ccccc1)C1CC1 ZINC000515093770 249201670 /nfs/dbraw/zinc/20/16/70/249201670.db2.gz RRBOECHRZWBFTQ-MRXNPFEDSA-N -1 3 254.333 3.028 20 0 CGADHM CC(=O)c1ccc(C(=O)Nc2c([O-])cccc2Cl)o1 ZINC000573733723 377568605 /nfs/dbraw/zinc/56/86/05/377568605.db2.gz ZOLXMVXLYHDSDG-UHFFFAOYSA-N -1 3 279.679 3.094 20 0 CGADHM CCC[C@@H]1CCCN(Cc2csc(C(=O)[O-])c2)C1 ZINC000516872546 249246925 /nfs/dbraw/zinc/24/69/25/249246925.db2.gz FKLDQGGTDVFMOQ-LLVKDONJSA-N -1 3 267.394 3.458 20 0 CGADHM CCN(CCc1ccccc1)Cc1cc(C)c(C(=O)[O-])o1 ZINC000515856594 249221982 /nfs/dbraw/zinc/22/19/82/249221982.db2.gz WOAKTYWKYKUAAZ-UHFFFAOYSA-N -1 3 287.359 3.351 20 0 CGADHM Cc1ccc(CN(CCC(=O)[O-])Cc2ccco2)s1 ZINC000573955092 377598104 /nfs/dbraw/zinc/59/81/04/377598104.db2.gz UISFDOMJNAYAEY-UHFFFAOYSA-N -1 3 279.361 3.126 20 0 CGADHM CO[C@@H]1CCN([C@@H](C)c2cc(C(=O)[O-])c(C)o2)CC1(C)C ZINC000574704871 377698686 /nfs/dbraw/zinc/69/86/86/377698686.db2.gz RXUGZJNAWFNBAU-IINYFYTJSA-N -1 3 295.379 3.094 20 0 CGADHM CCOc1cc(-c2noc([C@H]3C[C@H]3C3CC3)n2)ccc1[O-] ZINC000574512922 377672246 /nfs/dbraw/zinc/67/22/46/377672246.db2.gz AHXBDSKALCMDJA-RYUDHWBXSA-N -1 3 286.331 3.354 20 0 CGADHM O=C([O-])[C@H]1CCCN1CCc1cc(Cl)cc(Cl)c1 ZINC000574921871 377725312 /nfs/dbraw/zinc/72/53/12/377725312.db2.gz SZKWQMVVPOLGBP-GFCCVEGCSA-N -1 3 288.174 3.085 20 0 CGADHM CCc1ccccc1NC(=O)/C=C\c1cncc([O-])c1 ZINC000255715450 377777224 /nfs/dbraw/zinc/77/72/24/377777224.db2.gz LOZQIHDPECKULI-FPLPWBNLSA-N -1 3 268.316 3.002 20 0 CGADHM O=C([O-])[C@@H]1CCCN1CCc1cccc(Cl)c1Cl ZINC000575065740 377744368 /nfs/dbraw/zinc/74/43/68/377744368.db2.gz XISSKRMMLQQCOD-NSHDSACASA-N -1 3 288.174 3.085 20 0 CGADHM O=C(/C=C\c1cncc([O-])c1)N1CCC[C@@]2(CC=CCC2)C1 ZINC000255494500 377761562 /nfs/dbraw/zinc/76/15/62/377761562.db2.gz QWSIYLJEMKKCCH-XFHJGTJQSA-N -1 3 298.386 3.149 20 0 CGADHM COc1cccc(C[C@H](C)NC(=O)c2cccc(C)c2[O-])c1 ZINC000261480457 377814526 /nfs/dbraw/zinc/81/45/26/377814526.db2.gz UOFCRNMROFIJBL-ZDUSSCGKSA-N -1 3 299.370 3.070 20 0 CGADHM CCc1cc(C(=O)N2CCS[C@H](C(C)C)C2)ccc1[O-] ZINC000342788561 377793285 /nfs/dbraw/zinc/79/32/85/377793285.db2.gz WYLJFJQQOZRVRW-HNNXBMFYSA-N -1 3 293.432 3.168 20 0 CGADHM CCc1cc(=O)[n-]c(CN[C@@H](C)c2ccc(Cl)s2)n1 ZINC000182979344 542227903 /nfs/dbraw/zinc/22/79/03/542227903.db2.gz LOMHJQYLQOHLNQ-QMMMGPOBSA-N -1 3 297.811 3.310 20 0 CGADHM CN(CCC(=O)[O-])Cc1ccc(-c2c(F)cccc2F)o1 ZINC000263382979 377930381 /nfs/dbraw/zinc/93/03/81/377930381.db2.gz CEUWBMDFDJKLQB-UHFFFAOYSA-N -1 3 295.285 3.131 20 0 CGADHM O=C([O-])[C@H]1CCCN1Cc1ccc(-c2ccccc2)s1 ZINC000263412927 377934021 /nfs/dbraw/zinc/93/40/21/377934021.db2.gz MANCHVIVXKDMFM-CQSZACIVSA-N -1 3 287.384 3.464 20 0 CGADHM Cc1nc2ccccc2nc1SCc1ncccc1[O-] ZINC000577812013 378014384 /nfs/dbraw/zinc/01/43/84/378014384.db2.gz LJYSJVKHGYNNNT-UHFFFAOYSA-N -1 3 283.356 3.331 20 0 CGADHM COc1ccc(C(=O)N2CCC[C@H]2C(C)(C)C)c([O-])c1 ZINC000264354662 377979008 /nfs/dbraw/zinc/97/90/08/377979008.db2.gz GELZEHLNFLCGQW-AWEZNQCLSA-N -1 3 277.364 3.052 20 0 CGADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCC2(C)C)sc1Cl ZINC000575976212 378004946 /nfs/dbraw/zinc/00/49/46/378004946.db2.gz WZJCZPQNUURZPL-MRVPVSSYSA-N -1 3 293.841 3.177 20 0 CGADHM O=C([O-])c1coc(CN2CCC[C@]3(CC=CCC3)C2)c1 ZINC000578137802 378040873 /nfs/dbraw/zinc/04/08/73/378040873.db2.gz XMYSZHKRIOZHMG-MRXNPFEDSA-N -1 3 275.348 3.300 20 0 CGADHM COc1cc(Cl)cc(C(=O)Nc2cc(F)ccc2[O-])c1 ZINC000343884627 378123609 /nfs/dbraw/zinc/12/36/09/378123609.db2.gz FCZXZZZWZYAINI-UHFFFAOYSA-N -1 3 295.697 3.446 20 0 CGADHM [O-]c1cccnc1CN[C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000579407718 378157201 /nfs/dbraw/zinc/15/72/01/378157201.db2.gz LREVJNHRTNWTSM-GDBMZVCRSA-N -1 3 298.386 3.045 20 0 CGADHM CC[C@H](C)N(C)Cc1c(Cl)cccc1C(=O)[O-] ZINC000580955759 378271621 /nfs/dbraw/zinc/27/16/21/378271621.db2.gz OXUBZVLIPITURB-VIFPVBQESA-N -1 3 255.745 3.269 20 0 CGADHM CC1(c2cc([N-]C(=O)c3sccc3F)no2)CCCC1 ZINC000580403029 378247444 /nfs/dbraw/zinc/24/74/44/378247444.db2.gz BAVWDCKGDNFICC-UHFFFAOYSA-N -1 3 294.351 3.381 20 0 CGADHM O=C(CCCC(=O)C1CC1)Nc1c([O-])cccc1Cl ZINC000565374204 322075776 /nfs/dbraw/zinc/07/57/76/322075776.db2.gz UAOJHLYGGIGJPM-UHFFFAOYSA-N -1 3 281.739 3.134 20 0 CGADHM CCc1ccc(C(=O)Nc2ccccc2CN(C)C)c([O-])c1 ZINC000583598996 378334312 /nfs/dbraw/zinc/33/43/12/378334312.db2.gz BWGJTDARWLFPHR-UHFFFAOYSA-N -1 3 298.386 3.269 20 0 CGADHM CC1(C)C(NC(=O)CCCc2ccc([O-])c(F)c2)C1(C)C ZINC000345761244 378364147 /nfs/dbraw/zinc/36/41/47/378364147.db2.gz SZUUFZMNMDBQNK-UHFFFAOYSA-N -1 3 293.382 3.405 20 0 CGADHM Cc1ccc(C(=O)N[C@H]2CCO[C@H](C(C)(C)C)C2)c([O-])c1 ZINC000270719512 378393668 /nfs/dbraw/zinc/39/36/68/378393668.db2.gz DERRZTOCJNSWQV-WFASDCNBSA-N -1 3 291.391 3.024 20 0 CGADHM C[C@@H]1CCN(C(=O)CCCc2ccc([O-])c(F)c2)[C@@H]1C ZINC000345915349 378406881 /nfs/dbraw/zinc/40/68/81/378406881.db2.gz UFIFYUTUJBLRNY-VXGBXAGGSA-N -1 3 279.355 3.111 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2cc(C)c(F)c(C)c2)n1 ZINC000345926556 378410797 /nfs/dbraw/zinc/41/07/97/378410797.db2.gz LPBZVHHUVLNHOB-UHFFFAOYSA-N -1 3 274.295 3.104 20 0 CGADHM CCc1sc(C(=O)Nc2nc(C)ccc2[O-])cc1C ZINC000345926522 378411072 /nfs/dbraw/zinc/41/10/72/378411072.db2.gz LCBYUBMXYGJWIA-UHFFFAOYSA-N -1 3 276.361 3.280 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2ccc(C(C)C)cc2)n1 ZINC000345999210 378435397 /nfs/dbraw/zinc/43/53/97/378435397.db2.gz VBXQFEJIBKMAIL-UHFFFAOYSA-N -1 3 270.332 3.471 20 0 CGADHM CC(C)N(C(=O)c1cc2c(cc1[O-])CCCC2)C1CC1 ZINC000271207074 378483452 /nfs/dbraw/zinc/48/34/52/378483452.db2.gz AMHWFJWNUDAPAZ-UHFFFAOYSA-N -1 3 273.376 3.284 20 0 CGADHM O=C(c1cccc([O-])c1)N(CCc1ccc(F)cc1)C1CC1 ZINC000272801566 378706819 /nfs/dbraw/zinc/70/68/19/378706819.db2.gz YQBCBJGKOSIDBV-UHFFFAOYSA-N -1 3 299.345 3.379 20 0 CGADHM CC[C@@H]1C[C@H](CC(=O)Nc2cc(F)ccc2[O-])CCO1 ZINC000272868955 378715151 /nfs/dbraw/zinc/71/51/51/378715151.db2.gz SZIXMSBSBHMEQP-ZYHUDNBSSA-N -1 3 281.327 3.065 20 0 CGADHM CC(C)[C@H]1C[C@H](CC(=O)[N-]OCc2ccccc2)CCO1 ZINC000272924368 378724089 /nfs/dbraw/zinc/72/40/89/378724089.db2.gz MDEXHHXSVOCGRL-HZPDHXFCSA-N -1 3 291.391 3.076 20 0 CGADHM COc1ccc2cc(CNCc3ncccc3[O-])ccc2c1 ZINC000347918928 378729807 /nfs/dbraw/zinc/72/98/07/378729807.db2.gz JJFBLRLSIBMWMI-UHFFFAOYSA-N -1 3 294.354 3.239 20 0 CGADHM C[C@@H]1C[C@H](C)CN1C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000436969391 297363519 /nfs/dbraw/zinc/36/35/19/297363519.db2.gz IJRXJTBFTLAOMO-NWDGAFQWSA-N -1 3 273.376 3.142 20 0 CGADHM Cc1ncc(CN[C@H](C)c2ccc3ccccc3c2)c(=O)[n-]1 ZINC000346809532 218021167 /nfs/dbraw/zinc/02/11/67/218021167.db2.gz PXSBAXBTBOTOJB-GFCCVEGCSA-N -1 3 293.370 3.495 20 0 CGADHM CC[C@H](C)OCC(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000274374795 378822217 /nfs/dbraw/zinc/82/22/17/378822217.db2.gz LFUOHEVDVUEJHM-NEPJUHHUSA-N -1 3 277.364 3.048 20 0 CGADHM Cc1oc2ccccc2c1CNCc1ncccc1[O-] ZINC000348256236 378868318 /nfs/dbraw/zinc/86/83/18/378868318.db2.gz VVZHOIBKEPMQAZ-UHFFFAOYSA-N -1 3 268.316 3.132 20 0 CGADHM COc1cc(C(=O)N2CCC[C@H]2CCC(C)C)ccc1[O-] ZINC000276983213 379036823 /nfs/dbraw/zinc/03/68/23/379036823.db2.gz WJWSMZFFESCDDP-AWEZNQCLSA-N -1 3 291.391 3.442 20 0 CGADHM CCOc1ccc(CN[C@@H](C(=O)[O-])c2ccc(C)cc2)cc1 ZINC000276967166 379033434 /nfs/dbraw/zinc/03/34/34/379033434.db2.gz GPZDMHYWOJZSKB-QGZVFWFLSA-N -1 3 299.370 3.309 20 0 CGADHM CCCC[C@@H](NCc1ccc(F)cc1Cl)C(=O)[O-] ZINC000277229456 379103589 /nfs/dbraw/zinc/10/35/89/379103589.db2.gz IITPBMLVBNOKBT-GFCCVEGCSA-N -1 3 273.735 3.212 20 0 CGADHM CCN(Cc1ccccc1Cl)C(=O)c1csc(=O)[n-]1 ZINC000348975777 379126230 /nfs/dbraw/zinc/12/62/30/379126230.db2.gz OHMJMECXJZEOPV-UHFFFAOYSA-N -1 3 296.779 3.164 20 0 CGADHM COc1cccc(CN[C@H](C(=O)[O-])c2cccc(C)c2C)c1 ZINC000277332725 379134166 /nfs/dbraw/zinc/13/41/66/379134166.db2.gz OJEUQVRGSXRTMU-KRWDZBQOSA-N -1 3 299.370 3.228 20 0 CGADHM Cc1ccc(F)cc1NC(=O)c1c[n-]nc1-c1ccncc1 ZINC000349326201 379231317 /nfs/dbraw/zinc/23/13/17/379231317.db2.gz TWLPVZBHZWNOQI-UHFFFAOYSA-N -1 3 296.305 3.172 20 0 CGADHM Cc1ccc(F)cc1NC(=O)c1cn[n-]c1-c1ccncc1 ZINC000349326201 379231322 /nfs/dbraw/zinc/23/13/22/379231322.db2.gz TWLPVZBHZWNOQI-UHFFFAOYSA-N -1 3 296.305 3.172 20 0 CGADHM COc1ccc(C2(NCc3cc([O-])cc(F)c3)CC2)cc1 ZINC000349653311 379331003 /nfs/dbraw/zinc/33/10/03/379331003.db2.gz HKCHXHMWDORLOL-UHFFFAOYSA-N -1 3 287.334 3.319 20 0 CGADHM CCOc1cc(-c2noc(C3(CC)CC3)n2)ccc1[O-] ZINC000278121822 379295014 /nfs/dbraw/zinc/29/50/14/379295014.db2.gz RCYIECWBBPMMKQ-UHFFFAOYSA-N -1 3 274.320 3.283 20 0 CGADHM O=C(Nc1cccc2c1CCCC2)c1cc(C(F)F)[n-]n1 ZINC000639479897 379422284 /nfs/dbraw/zinc/42/22/84/379422284.db2.gz DASZEWKCJLKCEL-UHFFFAOYSA-N -1 3 291.301 3.478 20 0 CGADHM CCCn1c(=O)[n-]nc1SCCCCC1CCOCC1 ZINC000347627190 218297611 /nfs/dbraw/zinc/29/76/11/218297611.db2.gz FZFZJUWYWPGYPJ-UHFFFAOYSA-N -1 3 299.440 3.083 20 0 CGADHM C[C@@H]1C[C@@H]1c1noc(C(=O)[N-]c2ccc(Cl)c(F)c2)n1 ZINC000350407014 379545401 /nfs/dbraw/zinc/54/54/01/379545401.db2.gz MUZMTRPFBNTJBF-SVRRBLITSA-N -1 3 295.701 3.238 20 0 CGADHM CC(C)CCC1CCN(C(=O)c2csc(=O)[n-]2)CC1 ZINC000350458797 379547218 /nfs/dbraw/zinc/54/72/18/379547218.db2.gz PZCFVORSDXHTHO-UHFFFAOYSA-N -1 3 282.409 3.137 20 0 CGADHM CO[C@]1(C)CCCN(C(=O)c2ccc(C(C)C)cc2[O-])C1 ZINC000280065589 379594747 /nfs/dbraw/zinc/59/47/47/379594747.db2.gz PNGKKXPDKSMWLV-QGZVFWFLSA-N -1 3 291.391 3.157 20 0 CGADHM Cc1cc(-c2noc(-c3cccc(C)c3[O-])n2)ccn1 ZINC000350573470 379564707 /nfs/dbraw/zinc/56/47/07/379564707.db2.gz CRFSCHBHOSISQF-UHFFFAOYSA-N -1 3 267.288 3.121 20 0 CGADHM Cc1ccc([O-])c(-c2nc(-c3ccc(C)nc3)no2)c1 ZINC000350580642 379565838 /nfs/dbraw/zinc/56/58/38/379565838.db2.gz ZELQBRLYWZWBDU-UHFFFAOYSA-N -1 3 267.288 3.121 20 0 CGADHM [O-]c1ccc(Cc2nc(C3CCSCC3)no2)cc1F ZINC000351100637 379645540 /nfs/dbraw/zinc/64/55/40/379645540.db2.gz DZVQQNUHMQJHTF-UHFFFAOYSA-N -1 3 294.351 3.116 20 0 CGADHM CO[C@@H]1CCCN(C(=O)c2cc([O-])c3ccccc3c2)CC1 ZINC000376830959 379606007 /nfs/dbraw/zinc/60/60/07/379606007.db2.gz FYRIVXAIABPOBI-OAHLLOKOSA-N -1 3 299.370 3.187 20 0 CGADHM CO[C@H]1CCCC[C@@H]1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000280166868 379626906 /nfs/dbraw/zinc/62/69/06/379626906.db2.gz CBWCNPXRQKZZIL-RDJZCZTQSA-N -1 3 299.370 3.233 20 0 CGADHM CCCCOc1ccccc1NC([O-])=NOCCSC ZINC000280484786 379716636 /nfs/dbraw/zinc/71/66/36/379716636.db2.gz JNCUNDCJFJQDLA-UHFFFAOYSA-N -1 3 298.408 3.282 20 0 CGADHM CCCCOc1ccccc1NC(=O)[N-]OCCSC ZINC000280484786 379716638 /nfs/dbraw/zinc/71/66/38/379716638.db2.gz JNCUNDCJFJQDLA-UHFFFAOYSA-N -1 3 298.408 3.282 20 0 CGADHM CCc1cc(NC(=O)c2cc(C(F)F)[n-]n2)ccc1C ZINC000640089086 379717193 /nfs/dbraw/zinc/71/71/93/379717193.db2.gz QTHGUYGZBBHZCH-UHFFFAOYSA-N -1 3 279.290 3.470 20 0 CGADHM Cc1noc(C(C)C)c1C(=O)Nc1cc(F)ccc1[O-] ZINC000267353465 190323522 /nfs/dbraw/zinc/32/35/22/190323522.db2.gz OFVRSKPWEYQQQG-UHFFFAOYSA-N -1 3 278.283 3.203 20 0 CGADHM C[C@H]1CC=CC[C@H]1C(=O)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000351678124 379735816 /nfs/dbraw/zinc/73/58/16/379735816.db2.gz WIAVOXRZDHBEDO-GXTWGEPZSA-N -1 3 281.359 3.039 20 0 CGADHM CC(=O)c1cccc(NC(=O)c2c[nH]cc2C2CC2)c1[O-] ZINC000640317110 379768211 /nfs/dbraw/zinc/76/82/11/379768211.db2.gz DCSKKGRJBOBAJE-UHFFFAOYSA-N -1 3 284.315 3.053 20 0 CGADHM CCC1(CC)[C@H](NCc2c(F)ccc([O-])c2F)C[C@@H]1OC ZINC000352690288 379909400 /nfs/dbraw/zinc/90/94/00/379909400.db2.gz VEMPQTLOXODPFS-KGLIPLIRSA-N -1 3 299.361 3.354 20 0 CGADHM CCC[C@H](C)C(=O)N=c1[nH][n-]c(C)c1-c1cccc(F)c1 ZINC000640946556 379884524 /nfs/dbraw/zinc/88/45/24/379884524.db2.gz REJYWEOBPMIKSC-JTQLQIEISA-N -1 3 289.354 3.321 20 0 CGADHM Cc1cccc([O-])c1NC(=O)c1ccoc1C1CC1 ZINC000282523936 379938770 /nfs/dbraw/zinc/93/87/70/379938770.db2.gz YFSRZJGVHFEIAM-UHFFFAOYSA-N -1 3 257.289 3.423 20 0 CGADHM COc1ccc([O-])c(C(=O)N(C)C[C@H](C)C(C)(C)C)c1 ZINC000399676701 379942699 /nfs/dbraw/zinc/94/26/99/379942699.db2.gz WNEVRCDCXKQGEO-NSHDSACASA-N -1 3 279.380 3.155 20 0 CGADHM Cc1cc(OCc2cnc(C3CC3)o2)cc2occ([O-])c21 ZINC000641736841 380069826 /nfs/dbraw/zinc/06/98/26/380069826.db2.gz LVHBIJVAYIDNMF-UHFFFAOYSA-N -1 3 285.299 3.015 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CCc3cc(F)c(F)cc32)c1 ZINC000642592476 380179428 /nfs/dbraw/zinc/17/94/28/380179428.db2.gz HSGIWCKGSGIOOU-UHFFFAOYSA-N -1 3 289.281 3.182 20 0 CGADHM CCC[C@]1(CO)CCCN1Cc1cccc([O-])c1Cl ZINC000353238388 380182233 /nfs/dbraw/zinc/18/22/33/380182233.db2.gz VTAFJLGMDGDZSK-OAHLLOKOSA-N -1 3 283.799 3.173 20 0 CGADHM CC(C)CC1(CNC(=O)c2cc(=O)c3ccccc3[n-]2)CC1 ZINC000268226323 190388355 /nfs/dbraw/zinc/38/83/55/190388355.db2.gz KWAVGOZNWDRONJ-UHFFFAOYSA-N -1 3 298.386 3.497 20 0 CGADHM C[C@H]1CC(C)(C)CN1Cc1c(F)ccc([O-])c1F ZINC000414519342 380293339 /nfs/dbraw/zinc/29/33/39/380293339.db2.gz AXSHVIAOMDLRTG-VIFPVBQESA-N -1 3 255.308 3.291 20 0 CGADHM C[C@@H]1CCC[C@H](Cc2nc(-c3ccc4n[n-]nc4c3)no2)C1 ZINC000643895065 380391630 /nfs/dbraw/zinc/39/16/30/380391630.db2.gz IARZZBLHGOSFMR-MNOVXSKESA-N -1 3 297.362 3.377 20 0 CGADHM Cc1cc(C(=O)Nc2c[nH]nc2-c2ccccc2)ccc1[O-] ZINC000354610803 380501476 /nfs/dbraw/zinc/50/14/76/380501476.db2.gz QYIUKEWAHIBKPD-UHFFFAOYSA-N -1 3 293.326 3.343 20 0 CGADHM O=C([O-])CC1(CNCc2ccc(Cl)o2)CCCCC1 ZINC000417548418 380634744 /nfs/dbraw/zinc/63/47/44/380634744.db2.gz QSILHLUTTVLMQJ-UHFFFAOYSA-N -1 3 285.771 3.448 20 0 CGADHM Cc1c(F)cccc1-c1ccc(CNC[C@H](C)C(=O)[O-])o1 ZINC000417579919 380643517 /nfs/dbraw/zinc/64/35/17/380643517.db2.gz CBKCPLHWLQMWLB-JTQLQIEISA-N -1 3 291.322 3.204 20 0 CGADHM COc1cc(C)ccc1CNCCc1ccccc1C(=O)[O-] ZINC000417575570 380643836 /nfs/dbraw/zinc/64/38/36/380643836.db2.gz YFOOHPLIKSNNSN-UHFFFAOYSA-N -1 3 299.370 3.034 20 0 CGADHM C[C@H](CCC(=O)[O-])NCc1ccc(Oc2ccccc2)o1 ZINC000417607210 380648938 /nfs/dbraw/zinc/64/89/38/380648938.db2.gz GNMTYIYPAJXLDB-GFCCVEGCSA-N -1 3 289.331 3.415 20 0 CGADHM Cc1ccoc1CN[C@@H](CCC(=O)[O-])c1ccccc1 ZINC000417591496 380645150 /nfs/dbraw/zinc/64/51/50/380645150.db2.gz CXHJBYJIPQEKJL-AWEZNQCLSA-N -1 3 273.332 3.284 20 0 CGADHM [O-]c1cccc(CNCCC[C@H]2CCCC[C@H]2O)c1Cl ZINC000645166313 380599886 /nfs/dbraw/zinc/59/98/86/380599886.db2.gz SVFLFYFSOZJEEO-TZMCWYRMSA-N -1 3 297.826 3.467 20 0 CGADHM COc1cc(C)ccc1CNCc1ccc(C(=O)[O-])c(C)c1 ZINC000417670082 380663561 /nfs/dbraw/zinc/66/35/61/380663561.db2.gz OCSZXAZKKUCWCL-UHFFFAOYSA-N -1 3 299.370 3.300 20 0 CGADHM C[C@@]1(F)CCN(Cc2cc([O-])ccc2Br)C1 ZINC000355372429 380666627 /nfs/dbraw/zinc/66/66/27/380666627.db2.gz ZETJIABSENRGTD-GFCCVEGCSA-N -1 3 288.160 3.089 20 0 CGADHM O=C([O-])[C@@H](CC1CCC1)NCc1ccc(F)cc1Cl ZINC000417709734 380668070 /nfs/dbraw/zinc/66/80/70/380668070.db2.gz UBPZXARCFMEXHJ-CYBMUJFWSA-N -1 3 285.746 3.212 20 0 CGADHM CC[C@@H](CCC(=O)[O-])NCc1nc2c(s1)C[C@@H](C)CC2 ZINC000417620253 380654910 /nfs/dbraw/zinc/65/49/10/380654910.db2.gz IUAOSRFKTAPMQC-QWRGUYRKSA-N -1 3 296.436 3.001 20 0 CGADHM CC[C@H](CCNCc1cccc(Cl)c1F)C(=O)[O-] ZINC000417645774 380660468 /nfs/dbraw/zinc/66/04/68/380660468.db2.gz FBYCFTHPLHHUBA-SECBINFHSA-N -1 3 273.735 3.070 20 0 CGADHM CC[C@@H](CCNCc1cccc(Cl)c1F)C(=O)[O-] ZINC000417645776 380660586 /nfs/dbraw/zinc/66/05/86/380660586.db2.gz FBYCFTHPLHHUBA-VIFPVBQESA-N -1 3 273.735 3.070 20 0 CGADHM C[C@@H]1CN(Cc2cccc([O-])c2Cl)C[C@@H](C)S1 ZINC000646065858 380818503 /nfs/dbraw/zinc/81/85/03/380818503.db2.gz CPOOURUCLGVJSH-NXEZZACHSA-N -1 3 271.813 3.371 20 0 CGADHM [O-]c1cccc(CN2CCC[C@@H]2C2CC2)c1Cl ZINC000646074089 380822789 /nfs/dbraw/zinc/82/27/89/380822789.db2.gz VYBHAROSHYLAMO-GFCCVEGCSA-N -1 3 251.757 3.420 20 0 CGADHM CC[C@@H]1CCC[C@H](NC(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC000334758572 207025633 /nfs/dbraw/zinc/02/56/33/207025633.db2.gz FGUUHVXJKWLZJA-OLZOCXBDSA-N -1 3 298.386 3.227 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2cccc3[nH]c(=O)oc32)c1 ZINC000356826321 380887038 /nfs/dbraw/zinc/88/70/38/380887038.db2.gz TUSOUHNIAOFWMV-UHFFFAOYSA-N -1 3 298.298 3.054 20 0 CGADHM O=c1ccnc(C(=Cc2cncs2)Cc2ccccc2)[n-]1 ZINC000357418687 381151646 /nfs/dbraw/zinc/15/16/46/381151646.db2.gz ZPBJBTWTGKMPCK-LCYFTJDESA-N -1 3 295.367 3.422 20 0 CGADHM COc1cc(C(=O)N2CCC[C@@H]2CC(C)(C)C)ccc1[O-] ZINC000362398017 381976815 /nfs/dbraw/zinc/97/68/15/381976815.db2.gz PDYOHVJGPBUQSY-CYBMUJFWSA-N -1 3 291.391 3.442 20 0 CGADHM Cc1ccc(F)c(CN2CCC[C@@H](CCC(=O)[O-])C2)c1 ZINC000235902767 542313831 /nfs/dbraw/zinc/31/38/31/542313831.db2.gz ZEBOEOJAQXWURY-ZDUSSCGKSA-N -1 3 279.355 3.211 20 0 CGADHM O=C([O-])C[C@H](NCc1cc(F)cc(F)c1)c1cccs1 ZINC000236423387 542314737 /nfs/dbraw/zinc/31/47/37/542314737.db2.gz OYKRYWUMGPOEKL-LBPRGKRZSA-N -1 3 297.326 3.332 20 0 CGADHM Cc1ccc(CN2CC[C@@H](C)C[C@@H]2C(=O)[O-])c(Cl)c1 ZINC000235327194 542310795 /nfs/dbraw/zinc/31/07/95/542310795.db2.gz ZLHUKAKIAJAHGG-BXUZGUMPSA-N -1 3 281.783 3.334 20 0 CGADHM COc1ccccc1[C@@H](NCc1ccc(C)cc1C)C(=O)[O-] ZINC000426785700 532980870 /nfs/dbraw/zinc/98/08/70/532980870.db2.gz YPRDBUYZEFDHEV-QGZVFWFLSA-N -1 3 299.370 3.228 20 0 CGADHM CCc1cnc(NCc2c(F)ccc([O-])c2F)s1 ZINC000280933381 195034258 /nfs/dbraw/zinc/03/42/58/195034258.db2.gz HHJXOUUYRNZREW-UHFFFAOYSA-N -1 3 270.304 3.301 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)[C@@H]2CCCOCC2)c1[O-] ZINC000335402872 208378423 /nfs/dbraw/zinc/37/84/23/208378423.db2.gz QZOZDGLPGMNEPP-SNVBAGLBSA-N -1 3 283.755 3.109 20 0 CGADHM O=C(c1cc([O-])ccc1Cl)N1CCC[C@@H]1c1ccc[nH]1 ZINC000289412090 197335134 /nfs/dbraw/zinc/33/51/34/197335134.db2.gz BFJDPTXLJQFISM-CQSZACIVSA-N -1 3 290.750 3.351 20 0 CGADHM CCc1cc(=O)[n-]c(CS[C@@H](C)c2cccnc2)n1 ZINC000289321516 197296652 /nfs/dbraw/zinc/29/66/52/197296652.db2.gz BPQWUSHWYHEHPH-JTQLQIEISA-N -1 3 275.377 3.134 20 0 CGADHM CCOCCN(CC)C(=O)c1cc([O-])c2ccccc2c1 ZINC000280929082 542382728 /nfs/dbraw/zinc/38/27/28/542382728.db2.gz OWWHQJXDABVATC-UHFFFAOYSA-N -1 3 287.359 3.044 20 0 CGADHM O=C(NC(C1CC1)C1CC1)c1cc([O-])c2ccccc2c1 ZINC000280916501 542383053 /nfs/dbraw/zinc/38/30/53/542383053.db2.gz UXLBSOVJTWBIFS-UHFFFAOYSA-N -1 3 281.355 3.464 20 0 CGADHM C[C@@H](c1cccc(Cl)c1)N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000302514556 572517956 /nfs/dbraw/zinc/51/79/56/572517956.db2.gz NRVOEJNKZNEJJU-UHIISALHSA-N -1 3 281.783 3.444 20 0 CGADHM CC(F)(F)C(=O)[N-][C@@H]1CCc2c1cccc2Cl ZINC000288559814 197111951 /nfs/dbraw/zinc/11/19/51/197111951.db2.gz MGHMQFXRZGVFPZ-SNVBAGLBSA-N -1 3 259.683 3.099 20 0 CGADHM CC(C)C[C@@H]1CCN(Cc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000307827451 542423012 /nfs/dbraw/zinc/42/30/12/542423012.db2.gz YAVWXIDYEANRQT-ZDUSSCGKSA-N -1 3 279.355 3.392 20 0 CGADHM O=C(c1cc([O-])c2ccccc2c1)N1CCC[C@@H]1C(F)F ZINC000335954859 542473151 /nfs/dbraw/zinc/47/31/51/542473151.db2.gz ASYGLXFKFKBNCH-CYBMUJFWSA-N -1 3 291.297 3.415 20 0 CGADHM O=C(NCCC(F)(F)F)c1cc([O-])c2ccccc2c1 ZINC000339508731 542489175 /nfs/dbraw/zinc/48/91/75/542489175.db2.gz HJZSTHDETFFMDQ-UHFFFAOYSA-N -1 3 283.249 3.228 20 0 CGADHM O=C(Nc1cccc(CO)c1)c1cc([O-])c2ccccc2c1 ZINC000349326800 542525106 /nfs/dbraw/zinc/52/51/06/542525106.db2.gz ULINJHZCWWEAAN-UHFFFAOYSA-N -1 3 293.322 3.290 20 0 CGADHM [O-]c1ccccc1-c1nc([C@H]2CCC(F)(F)C2)no1 ZINC000281562954 195289939 /nfs/dbraw/zinc/28/99/39/195289939.db2.gz YKLKBELHNVXMMO-QMMMGPOBSA-N -1 3 266.247 3.345 20 0 CGADHM O=c1ccnc(C=Cc2ccc(Br)cc2)[n-]1 ZINC000742220931 572558848 /nfs/dbraw/zinc/55/88/48/572558848.db2.gz DNWJSRLJTOZNSH-UTCJRWHESA-N -1 3 277.121 3.115 20 0 CGADHM COc1cc(-c2noc(-c3ccc(C)c(C)c3[O-])n2)ccn1 ZINC000436894894 533456210 /nfs/dbraw/zinc/45/62/10/533456210.db2.gz VMNPLBNRWXAESN-UHFFFAOYSA-N -1 3 297.314 3.130 20 0 CGADHM COc1cccc(CCCNC(=O)c2cc(C)ccc2[O-])c1 ZINC000436750994 533456742 /nfs/dbraw/zinc/45/67/42/533456742.db2.gz QEYBADODRDSOHJ-UHFFFAOYSA-N -1 3 299.370 3.072 20 0 CGADHM CSCCCS[C@H](C)c1nc(C)cc(=O)[n-]1 ZINC000413012876 533575167 /nfs/dbraw/zinc/57/51/67/533575167.db2.gz XVINVOQIFMBGDU-SECBINFHSA-N -1 3 258.412 3.038 20 0 CGADHM CC(C)(CCN1Cc2ccccc2[C@@H](C(=O)[O-])C1)C1CC1 ZINC000406073755 542627776 /nfs/dbraw/zinc/62/77/76/542627776.db2.gz SYXYJWGOZCFCDQ-INIZCTEOSA-N -1 3 287.403 3.497 20 0 CGADHM Cc1ccc(CN2C[C@H](C(=O)[O-])CC[C@@H]2C)c(Cl)c1 ZINC000397514829 542617630 /nfs/dbraw/zinc/61/76/30/542617630.db2.gz ZPOVFDBHEAKDTR-WCQYABFASA-N -1 3 281.783 3.334 20 0 CGADHM Cc1ccc(CNC(=O)c2cccc(C)c2[O-])s1 ZINC000048194290 391994546 /nfs/dbraw/zinc/99/45/46/391994546.db2.gz MZDLFKQQNYUPFH-UHFFFAOYSA-N -1 3 261.346 3.001 20 0 CGADHM Cc1ccc(-c2nc(C(=O)[N-]c3cc(C)on3)cs2)o1 ZINC000031224473 391962446 /nfs/dbraw/zinc/96/24/46/391962446.db2.gz OSPPELDRLGBKJH-UHFFFAOYSA-N -1 3 289.316 3.260 20 0 CGADHM COc1ccc([O-])c(C(=O)Nc2cccc(SC)c2)c1 ZINC000051770517 392073173 /nfs/dbraw/zinc/07/31/73/392073173.db2.gz ZSMDHWVHPYDDCU-UHFFFAOYSA-N -1 3 289.356 3.375 20 0 CGADHM Cc1ccc(C(=O)NCCc2ccccc2Cl)c([O-])c1 ZINC000049402726 392046373 /nfs/dbraw/zinc/04/63/73/392046373.db2.gz NGBXMWGXZYYZLB-UHFFFAOYSA-N -1 3 289.762 3.327 20 0 CGADHM COc1ccc(C)cc1CN1CCC(CCC(=O)[O-])CC1 ZINC000050926066 392067921 /nfs/dbraw/zinc/06/79/21/392067921.db2.gz IBJIQYCTKTWBQC-UHFFFAOYSA-N -1 3 291.391 3.080 20 0 CGADHM CCn1c(C)cc(C(=O)Nc2ccccc2[O-])c1C ZINC000064354393 392142074 /nfs/dbraw/zinc/14/20/74/392142074.db2.gz ZVLAOLHXLOTYLR-UHFFFAOYSA-N -1 3 258.321 3.083 20 0 CGADHM CCC1(CC)CCN(C(=O)c2cc(OC)ccc2[O-])CC1 ZINC000062959685 392134645 /nfs/dbraw/zinc/13/46/45/392134645.db2.gz CFSCXSHTDWAXJU-UHFFFAOYSA-N -1 3 291.391 3.443 20 0 CGADHM CC(=O)c1ccc([N-]S(=O)(=O)CCC(C)(C)C)cc1 ZINC000225385784 130810427 /nfs/dbraw/zinc/81/04/27/130810427.db2.gz XDGCZZKRNNMLLL-UHFFFAOYSA-N -1 3 283.393 3.067 20 0 CGADHM COc1cccc(-c2nc(C3CCCCC3)no2)c1[O-] ZINC000109037145 392351404 /nfs/dbraw/zinc/35/14/04/392351404.db2.gz DUVSRMRYDHKHNG-UHFFFAOYSA-N -1 3 274.320 3.499 20 0 CGADHM O=c1[nH]c(Sc2ccccc2F)nc2ccc([O-])cc12 ZINC000436912300 542659079 /nfs/dbraw/zinc/65/90/79/542659079.db2.gz SHQNANSQTBREOA-UHFFFAOYSA-N -1 3 288.303 3.331 20 0 CGADHM C[C@@H]1CC[C@@H](NC(=O)c2c[n-]c3ccccc3c2=O)[C@@H](C)C1 ZINC000253542799 131144229 /nfs/dbraw/zinc/14/42/29/131144229.db2.gz HLYGYBVPNMBOFC-TYNCELHUSA-N -1 3 298.386 3.495 20 0 CGADHM COc1ccc(NC(=O)c2cc(C)cc(C)c2)c([O-])c1 ZINC000443579964 542667829 /nfs/dbraw/zinc/66/78/29/542667829.db2.gz VGFDUXSTZXQGRX-UHFFFAOYSA-N -1 3 271.316 3.270 20 0 CGADHM O=C([O-])[C@@]12CCC[C@H]1CN(Cc1ccc(Cl)cc1F)C2 ZINC000263571260 131298246 /nfs/dbraw/zinc/29/82/46/131298246.db2.gz JDYRJOKDHKICDD-XHDPSFHLSA-N -1 3 297.757 3.166 20 0 CGADHM Cc1c2ccccc2oc1[C@H](NCC(=O)[O-])C(C)C ZINC000263582918 131299569 /nfs/dbraw/zinc/29/95/69/131299569.db2.gz ZFCHDXKGGSEOQX-CQSZACIVSA-N -1 3 261.321 3.113 20 0 CGADHM CC(C)(C)c1nc(CC(=O)Nc2ccccc2[O-])cs1 ZINC000263794226 131332374 /nfs/dbraw/zinc/33/23/74/131332374.db2.gz YRCOVTYCHDFBEU-UHFFFAOYSA-N -1 3 290.388 3.327 20 0 CGADHM COc1cccc(C(=O)N(C)C[C@H](C)c2ccccc2)c1[O-] ZINC000263866214 131349779 /nfs/dbraw/zinc/34/97/79/131349779.db2.gz YDZCPAAMIFRFTA-ZDUSSCGKSA-N -1 3 299.370 3.277 20 0 CGADHM CC(=O)c1ccc(C(=O)[N-]c2nc3ccsc3s2)o1 ZINC000362405026 392416141 /nfs/dbraw/zinc/41/61/41/392416141.db2.gz VQEHMWPLVURARI-UHFFFAOYSA-N -1 3 292.341 3.406 20 0 CGADHM COC1(CCNCc2cccc([O-])c2Cl)CCC1 ZINC000293056709 392518046 /nfs/dbraw/zinc/51/80/46/392518046.db2.gz UNBZYFSURSQAKY-UHFFFAOYSA-N -1 3 269.772 3.094 20 0 CGADHM Cc1nc(C(C)C)oc1C(=O)Nc1ccc(C)cc1[O-] ZINC000292056980 392497906 /nfs/dbraw/zinc/49/79/06/392497906.db2.gz UBJOGMNIYHAZJI-UHFFFAOYSA-N -1 3 274.320 3.373 20 0 CGADHM COc1ccncc1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000471954825 542702015 /nfs/dbraw/zinc/70/20/15/542702015.db2.gz VQHVCUCWRSQRGA-UHFFFAOYSA-N -1 3 294.310 3.201 20 0 CGADHM C[C@H]1CC[C@@H]1NCc1cccc([O-])c1Br ZINC000315711647 392669140 /nfs/dbraw/zinc/66/91/40/392669140.db2.gz LZCAIVRAILFUMA-WPRPVWTQSA-N -1 3 270.170 3.043 20 0 CGADHM C[C@@H]1CCN(Cc2cccc([O-])c2Br)[C@H]1C ZINC000315757073 392669464 /nfs/dbraw/zinc/66/94/64/392669464.db2.gz HMOXPGYZOHXEDP-ZJUUUORDSA-N -1 3 284.197 3.385 20 0 CGADHM Cc1cc(C(=O)NC2CC(C(C)(C)C)C2)ccc1[O-] ZINC000504731125 392636189 /nfs/dbraw/zinc/63/61/89/392636189.db2.gz DZKZKJGGUNZHHD-UHFFFAOYSA-N -1 3 261.365 3.255 20 0 CGADHM C[C@H](C(=O)Nc1ccc(Cl)cc1[O-])C1CCC1 ZINC000457684588 392731226 /nfs/dbraw/zinc/73/12/26/392731226.db2.gz YYYUSIKMVOGALW-QMMMGPOBSA-N -1 3 253.729 3.420 20 0 CGADHM CCOc1ccc(NC(=O)/C=C/c2cncc([O-])c2)c(C)c1 ZINC000181906402 392738262 /nfs/dbraw/zinc/73/82/62/392738262.db2.gz OAKJMAYXAVWQPF-QPJJXVBHSA-N -1 3 298.342 3.146 20 0 CGADHM Cc1cccc([O-])c1NC(=O)[C@@H](C)CC(F)(F)F ZINC000457707037 392742131 /nfs/dbraw/zinc/74/21/31/392742131.db2.gz JYFOMPDCXHKMDZ-QMMMGPOBSA-N -1 3 261.243 3.228 20 0 CGADHM Cc1cc(C)c(-c2cc(=NC(=O)CC3CC3)[nH][n-]2)cc1C ZINC000511505278 392838009 /nfs/dbraw/zinc/83/80/09/392838009.db2.gz JTJZACNCEAUKSM-UHFFFAOYSA-N -1 3 283.375 3.162 20 0 CGADHM [O-]c1ccc(F)c(CNCC2(c3ccccc3)CC2)c1F ZINC000509799207 392772590 /nfs/dbraw/zinc/77/25/90/392772590.db2.gz MQWNRUUXNMGECX-UHFFFAOYSA-N -1 3 289.325 3.492 20 0 CGADHM Cc1cccc(C(=O)N2CC(Cc3ccccc3)C2)c1[O-] ZINC000375789521 392821072 /nfs/dbraw/zinc/82/10/72/392821072.db2.gz HYTSATDDAUOVQC-UHFFFAOYSA-N -1 3 281.355 3.015 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2ccc3[nH]cnc3c2)c1 ZINC000511299998 392834293 /nfs/dbraw/zinc/83/42/93/392834293.db2.gz JJNVBKZCKMUCOF-UHFFFAOYSA-N -1 3 281.315 3.083 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2ccc3nc[nH]c3c2)c1 ZINC000511299998 392834297 /nfs/dbraw/zinc/83/42/97/392834297.db2.gz JJNVBKZCKMUCOF-UHFFFAOYSA-N -1 3 281.315 3.083 20 0 CGADHM C[C@H]1CC(c2nc3cccnc3c(=O)[n-]2)C[C@H](C)C1 ZINC000491571537 542717789 /nfs/dbraw/zinc/71/77/89/542717789.db2.gz FKWNEJFSIJYSKS-NXEZZACHSA-N -1 3 257.337 3.270 20 0 CGADHM CCOc1cc(F)ccc1NC(=O)c1cccc(C)c1[O-] ZINC000195644255 392973047 /nfs/dbraw/zinc/97/30/47/392973047.db2.gz QYQUFWSQSLDUHP-UHFFFAOYSA-N -1 3 289.306 3.491 20 0 CGADHM Cc1cccc(C(=O)NCC2(c3ccc(F)cc3)CC2)c1[O-] ZINC000195636360 392971429 /nfs/dbraw/zinc/97/14/29/392971429.db2.gz OOWZJHBAXLPYEE-UHFFFAOYSA-N -1 3 299.345 3.301 20 0 CGADHM O=C([O-])c1cccc(CN[C@@H]2CCCc3c(O)cccc32)c1 ZINC000414635734 393050566 /nfs/dbraw/zinc/05/05/66/393050566.db2.gz IBLMQXHYPATOHR-MRXNPFEDSA-N -1 3 297.354 3.258 20 0 CGADHM [O-]c1ccc(CCCc2nc(-c3ccncc3)no2)cc1F ZINC000345669652 393063011 /nfs/dbraw/zinc/06/30/11/393063011.db2.gz OLZMENNHTZJEOD-UHFFFAOYSA-N -1 3 299.305 3.152 20 0 CGADHM CC[C@@H](C)CN(C)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000469100953 393176520 /nfs/dbraw/zinc/17/65/20/393176520.db2.gz YLYPHUSEIMAZLS-GFCCVEGCSA-N -1 3 281.371 3.359 20 0 CGADHM COc1ccc(NC(=O)c2oc(C(C)C)nc2C)c([O-])c1 ZINC000349208299 393140550 /nfs/dbraw/zinc/14/05/50/393140550.db2.gz KRKOXLKNASNRLC-UHFFFAOYSA-N -1 3 290.319 3.073 20 0 CGADHM Cc1ccc([O-])c(C(=O)NCc2cccc3cc[nH]c32)c1 ZINC000469512713 393199725 /nfs/dbraw/zinc/19/97/25/393199725.db2.gz VKZOUQSGGHDBDG-UHFFFAOYSA-N -1 3 280.327 3.112 20 0 CGADHM O=C(CCc1ccc2ccccc2c1[O-])NC[C@H]1CC12CC2 ZINC000416252838 393284409 /nfs/dbraw/zinc/28/44/09/393284409.db2.gz BOGCUFNSTPICDM-OAHLLOKOSA-N -1 3 295.382 3.394 20 0 CGADHM CC[C@@H]1CC[C@H](C(=O)N2CC[C@H](C)c3cccc([O-])c32)O1 ZINC000274410118 393286004 /nfs/dbraw/zinc/28/60/04/393286004.db2.gz VHJQUVOGNQDECB-YWPYICTPSA-N -1 3 289.375 3.190 20 0 CGADHM Cc1ccc(C(=O)N2CCC[C@H](c3ccccn3)C2)c([O-])c1 ZINC000646440499 393288116 /nfs/dbraw/zinc/28/81/16/393288116.db2.gz GGUAWBHQSZZKOI-AWEZNQCLSA-N -1 3 296.370 3.115 20 0 CGADHM O=C(NCc1ccccc1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000646563235 393302675 /nfs/dbraw/zinc/30/26/75/393302675.db2.gz ANIRPUAIEZCPCI-UHFFFAOYSA-N -1 3 295.260 3.341 20 0 CGADHM CCc1ccc(C(=O)N2CCC(C3CC3)CC2)c([O-])c1 ZINC000646763265 393319374 /nfs/dbraw/zinc/31/93/74/393319374.db2.gz QUTSHBGWRGTTMZ-UHFFFAOYSA-N -1 3 273.376 3.217 20 0 CGADHM CC(C)N(Cc1ccc(F)cc1)C(=O)c1csc(=O)[n-]1 ZINC000471944956 393323036 /nfs/dbraw/zinc/32/30/36/393323036.db2.gz UKUBMGAMJIBXEO-UHFFFAOYSA-N -1 3 294.351 3.039 20 0 CGADHM COc1cccc(SC)c1[N-]C(=O)c1nc(C)oc1C ZINC000416120402 393268664 /nfs/dbraw/zinc/26/86/64/393268664.db2.gz HDENPQIPIWOXMN-UHFFFAOYSA-N -1 3 292.360 3.274 20 0 CGADHM CC(C)[C@@H]1N(C(=O)c2ccccc2[O-])CC12CC=CC2 ZINC000649144213 393358979 /nfs/dbraw/zinc/35/89/79/393358979.db2.gz RERGMFBHZFWTHS-HNNXBMFYSA-N -1 3 271.360 3.209 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)c1ccc(C(C)C)nc1 ZINC000649230662 393379332 /nfs/dbraw/zinc/37/93/32/393379332.db2.gz RTVKVXRHRWRZNF-UHFFFAOYSA-N -1 3 286.379 3.034 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@@H](C)c1cccc(F)c1 ZINC000649231260 393379404 /nfs/dbraw/zinc/37/94/04/393379404.db2.gz NJAJAMAWNZOHRG-JTQLQIEISA-N -1 3 289.354 3.145 20 0 CGADHM O=C(CCCC(F)(F)F)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000356543139 393477993 /nfs/dbraw/zinc/47/79/93/393477993.db2.gz YEQSEYDCZJSCGD-UHFFFAOYSA-N -1 3 297.280 3.170 20 0 CGADHM CCc1cc(C(=O)N2CCCC[C@@H]2C(F)F)ccc1[O-] ZINC000488581001 393541247 /nfs/dbraw/zinc/54/12/47/393541247.db2.gz TXTLUFUURQXYBG-GFCCVEGCSA-N -1 3 283.318 3.214 20 0 CGADHM CCC(C)(C)CNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000430198324 393537472 /nfs/dbraw/zinc/53/74/72/393537472.db2.gz RFQXMLMSEKSHAW-UHFFFAOYSA-N -1 3 281.371 3.406 20 0 CGADHM C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)c1ccccc1[O-] ZINC000336351833 289002569 /nfs/dbraw/zinc/00/25/69/289002569.db2.gz GPCYRATVHAHHOP-MWLCHTKSSA-N -1 3 287.281 3.195 20 0 CGADHM Cc1ccc([O-])c(NC(=O)Cc2cccc(C)c2Cl)n1 ZINC000488925246 393562761 /nfs/dbraw/zinc/56/27/61/393562761.db2.gz JJYVIWASXJBUKP-UHFFFAOYSA-N -1 3 290.750 3.239 20 0 CGADHM CCCn1c(=O)[n-]nc1S[C@@H](C)c1cccc(OC)c1 ZINC000360726748 393577282 /nfs/dbraw/zinc/57/72/82/393577282.db2.gz SCUGTPOZNZSEMO-JTQLQIEISA-N -1 3 293.392 3.256 20 0 CGADHM CCc1ccc([O-])c(C(=O)N(C)[C@H]2CC[C@@H](C)C2)c1 ZINC000430451028 393569178 /nfs/dbraw/zinc/56/91/78/393569178.db2.gz VFJJCQNJBMUKRZ-YPMHNXCESA-N -1 3 261.365 3.215 20 0 CGADHM CCc1cccc([N-]S(=O)(=O)C[C@@H](CC(C)C)OC)c1 ZINC000421146497 393593004 /nfs/dbraw/zinc/59/30/04/393593004.db2.gz ZNMRSTAVIRHOQN-OAHLLOKOSA-N -1 3 299.436 3.052 20 0 CGADHM CCOc1cc(-c2noc([C@@]3(C)CC3(F)F)n2)ccc1[O-] ZINC000421304952 393602808 /nfs/dbraw/zinc/60/28/08/393602808.db2.gz WERQGYSKMYXHKM-CYBMUJFWSA-N -1 3 296.273 3.138 20 0 CGADHM Cc1cccc2c1CN(Cc1cc([O-])cc(F)c1)CC2 ZINC000433054536 393677451 /nfs/dbraw/zinc/67/74/51/393677451.db2.gz UZMBSDJCYXNZJI-UHFFFAOYSA-N -1 3 271.335 3.398 20 0 CGADHM CCCn1c(=O)[n-]nc1SCCCc1ccsc1 ZINC000360935862 393619311 /nfs/dbraw/zinc/61/93/11/393619311.db2.gz KDCKUYLCVVBCQG-UHFFFAOYSA-N -1 3 283.422 3.180 20 0 CGADHM COC(=O)c1cnc(SCc2ccc(C)c(C)c2)[n-]1 ZINC000432662963 393626036 /nfs/dbraw/zinc/62/60/36/393626036.db2.gz CMQGCIVCPRKXFR-UHFFFAOYSA-N -1 3 276.361 3.105 20 0 CGADHM Cc1ccc([O-])c(CN2Cc3ccccc3C3(CC3)C2)n1 ZINC000361139798 393682979 /nfs/dbraw/zinc/68/29/79/393682979.db2.gz IRBYRMUMNVDJDL-UHFFFAOYSA-N -1 3 280.371 3.143 20 0 CGADHM Cc1ccc([O-])c(CN2CCn3c(cc4ccccc43)C2)n1 ZINC000361023479 393647659 /nfs/dbraw/zinc/64/76/59/393647659.db2.gz VXUKKUDZCPTKQF-UHFFFAOYSA-N -1 3 293.370 3.066 20 0 CGADHM Cc1cc(/C=C/C(=O)[N-]OCC(F)F)ccc1OC(C)C ZINC000492627083 393764711 /nfs/dbraw/zinc/76/47/11/393764711.db2.gz ZZOVBNDVYBAFNU-FNORWQNLSA-N -1 3 299.317 3.108 20 0 CGADHM CC(C)C[C@@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000443732638 393771058 /nfs/dbraw/zinc/77/10/58/393771058.db2.gz MZKWOTRXQAGRQP-SECBINFHSA-N -1 3 293.791 3.192 20 0 CGADHM CC1(C)CN(Cc2cc([O-])cc(F)c2)CC2(CCCC2)O1 ZINC000443790492 393773430 /nfs/dbraw/zinc/77/34/30/393773430.db2.gz OPDZOZIXBAOCEJ-UHFFFAOYSA-N -1 3 293.382 3.455 20 0 CGADHM CCOc1cc(-c2noc([C@@H](C)CSC)n2)ccc1[O-] ZINC000445426274 393792828 /nfs/dbraw/zinc/79/28/28/393792828.db2.gz IUYRLGRRDSYJRI-VIFPVBQESA-N -1 3 294.376 3.307 20 0 CGADHM [O-]c1ccccc1-c1nc(Cc2ccc(F)c(F)c2)no1 ZINC000445440957 393794408 /nfs/dbraw/zinc/79/44/08/393794408.db2.gz BGAVKPNPBPXZFG-UHFFFAOYSA-N -1 3 288.253 3.311 20 0 CGADHM CC(C)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccco2)CC1 ZINC000445713151 393818171 /nfs/dbraw/zinc/81/81/71/393818171.db2.gz ALCMUMCUTFITEF-QWHCGFSZSA-N -1 3 285.409 3.163 20 0 CGADHM CC(=O)c1ccc(C(=O)N([C@@H](C)C(C)C)C2CC2)cc1[O-] ZINC000667135292 542846479 /nfs/dbraw/zinc/84/64/79/542846479.db2.gz WLZAUHXGTZTVFR-NSHDSACASA-N -1 3 289.375 3.244 20 0 CGADHM CO[C@@H]1C[C@@H](N(C)Cc2cccc([O-])c2Cl)C12CCC2 ZINC000449636423 393930283 /nfs/dbraw/zinc/93/02/83/393930283.db2.gz WDKYDWIXXZTDTB-ZIAGYGMSSA-N -1 3 295.810 3.435 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000449954716 393951086 /nfs/dbraw/zinc/95/10/86/393951086.db2.gz WELOMXGGXBBPQR-BFHYXJOUSA-N -1 3 291.366 3.159 20 0 CGADHM Cc1cccnc1CCNC(=O)c1ccc(C(C)C)cc1[O-] ZINC000452793472 394120764 /nfs/dbraw/zinc/12/07/64/394120764.db2.gz UOLMXZIOVNIMOC-UHFFFAOYSA-N -1 3 298.386 3.192 20 0 CGADHM Cc1ccc(C(=O)N2C[C@H]3[C@@H]4CC[C@@H](C4)[C@@]3(C)C2)c([O-])c1 ZINC000456983695 394305689 /nfs/dbraw/zinc/30/56/89/394305689.db2.gz ODUHGOZDNLDHNC-VAGZCVSGSA-N -1 3 285.387 3.209 20 0 CGADHM CC(C)(C)C[C@H]1CCN(C(=O)Cc2ccc([O-])c(F)c2)C1 ZINC000457097605 394319910 /nfs/dbraw/zinc/31/99/10/394319910.db2.gz YCDVGNPNDKJZIZ-CYBMUJFWSA-N -1 3 293.382 3.359 20 0 CGADHM CC[C@@H](C)CN(C)C(=O)c1cc(SC)ccc1[O-] ZINC000668565334 543028036 /nfs/dbraw/zinc/02/80/36/543028036.db2.gz GBDBQZLCUKQLJN-SNVBAGLBSA-N -1 3 267.394 3.232 20 0 CGADHM Cc1ccc(C(=O)N2CCC[C@H]3CCC[C@@H]32)c([O-])c1C ZINC000271420843 292054380 /nfs/dbraw/zinc/05/43/80/292054380.db2.gz RGJMAQUKLSYANN-HIFRSBDPSA-N -1 3 273.376 3.414 20 0 CGADHM CCOc1cc(CN2CC[C@@H]3C[C@@H]3C2)cc(Cl)c1[O-] ZINC000668676659 543043114 /nfs/dbraw/zinc/04/31/14/543043114.db2.gz CPJJXUIDNVVNGY-VXGBXAGGSA-N -1 3 281.783 3.286 20 0 CGADHM CCC(CC)(CC)NC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000669173784 543091102 /nfs/dbraw/zinc/09/11/02/543091102.db2.gz QXICHHFEVKGNSG-UHFFFAOYSA-N -1 3 277.364 3.293 20 0 CGADHM CCC[C@@H](C)C[C@@H](NCc1cccc(OC)c1F)C(=O)[O-] ZINC000669472314 543107930 /nfs/dbraw/zinc/10/79/30/543107930.db2.gz XHPLSGJOCTWMAY-DGCLKSJQSA-N -1 3 297.370 3.203 20 0 CGADHM O=C([O-])CN(Cc1ccc(Cl)cc1Cl)CC1CC1 ZINC000036885971 397606848 /nfs/dbraw/zinc/60/68/48/397606848.db2.gz QQGLBKZQZJFSFK-UHFFFAOYSA-N -1 3 288.174 3.290 20 0 CGADHM Cc1cc(-c2nc3ccc(F)cc3c(=O)[n-]2)cc(C)c1F ZINC000675222375 543323020 /nfs/dbraw/zinc/32/30/20/543323020.db2.gz KHVGPWDULCGLQU-UHFFFAOYSA-N -1 3 286.281 3.485 20 0 CGADHM CC(C)c1ccc(C(=O)N[C@H]2CCC(F)(F)C2)c([O-])c1 ZINC000675708828 543356619 /nfs/dbraw/zinc/35/66/19/543356619.db2.gz LCKYAVBWYONUCA-NSHDSACASA-N -1 3 283.318 3.433 20 0 CGADHM Cc1nsc([N-]C(=O)c2ccc(-c3ccco3)s2)n1 ZINC000675811433 543367037 /nfs/dbraw/zinc/36/70/37/543367037.db2.gz UOQSZJKKLWQSDT-UHFFFAOYSA-N -1 3 291.357 3.420 20 0 CGADHM Cc1noc(C(F)F)c1C(=O)Nc1cc(F)ccc1[O-] ZINC000677590307 543456164 /nfs/dbraw/zinc/45/61/64/543456164.db2.gz SSFOTCNOUJAPNV-UHFFFAOYSA-N -1 3 286.209 3.018 20 0 CGADHM O=C(Nc1cccc([O-])c1F)c1cc2ccsc2[nH]1 ZINC000677801124 543466153 /nfs/dbraw/zinc/46/61/53/543466153.db2.gz BSGMEVZTOJCHLS-UHFFFAOYSA-N -1 3 276.292 3.326 20 0 CGADHM O=C(Nc1cnoc1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000678309731 543513502 /nfs/dbraw/zinc/51/35/02/543513502.db2.gz ZUWGUYWRVCIQGQ-UHFFFAOYSA-N -1 3 296.282 3.425 20 0 CGADHM CCO[C@@H](C)C(=O)[N-]c1onc(C2CCCCC2)c1C ZINC000331099401 286192688 /nfs/dbraw/zinc/19/26/88/286192688.db2.gz CFFKNXFFDJYTDF-NSHDSACASA-N -1 3 280.368 3.394 20 0 CGADHM C[C@H]1CC[C@H](C(=O)[O-])CN1Cc1sccc1Cl ZINC000263526044 300054658 /nfs/dbraw/zinc/05/46/58/300054658.db2.gz UDALUPAWNRREKP-IUCAKERBSA-N -1 3 273.785 3.087 20 0 CGADHM Cc1cccc(C(=O)N[C@H]2CCCc3c(O)cccc32)c1[O-] ZINC000437002402 292427598 /nfs/dbraw/zinc/42/75/98/292427598.db2.gz MSZIKRBVRZFYME-HNNXBMFYSA-N -1 3 297.354 3.214 20 0 CGADHM COc1cccc(C(=O)N[C@H](C)c2ccccc2C)c1[O-] ZINC000042253801 286893699 /nfs/dbraw/zinc/89/36/99/286893699.db2.gz LGIIYGKQBRWYDL-GFCCVEGCSA-N -1 3 285.343 3.200 20 0 CGADHM Cc1ccc(C(=O)N[C@H]2CCc3ccccc32)c([O-])c1 ZINC000048405690 286904906 /nfs/dbraw/zinc/90/49/06/286904906.db2.gz DDLHKVFURLLURV-HNNXBMFYSA-N -1 3 267.328 3.118 20 0 CGADHM CC[C@@H](NC(=O)c1ccc(OC)cc1[O-])c1cccs1 ZINC000048443723 286905376 /nfs/dbraw/zinc/90/53/76/286905376.db2.gz IGRVQJJPBFGARW-GFCCVEGCSA-N -1 3 291.372 3.343 20 0 CGADHM COc1cccc(C(=O)N(Cc2ccccc2)C2CC2)c1[O-] ZINC000078774951 287051720 /nfs/dbraw/zinc/05/17/20/287051720.db2.gz UMCZVIHWBLDVCS-UHFFFAOYSA-N -1 3 297.354 3.206 20 0 CGADHM Cc1ccc(C[C@@H](C)NC(=O)c2cc(C)ccc2[O-])s1 ZINC000080247380 287064300 /nfs/dbraw/zinc/06/43/00/287064300.db2.gz OUBSRXHHPDIFGR-LLVKDONJSA-N -1 3 289.400 3.432 20 0 CGADHM Cc1ccc(NC(=O)CCOc2ccc(F)cc2)c([O-])c1 ZINC000075874985 165105472 /nfs/dbraw/zinc/10/54/72/165105472.db2.gz SSSBXWXKGQQDQA-UHFFFAOYSA-N -1 3 289.306 3.247 20 0 CGADHM CC(C)Oc1cccc(CN[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000084854085 165175723 /nfs/dbraw/zinc/17/57/23/165175723.db2.gz VNDUEQNJCXRIBJ-QGZVFWFLSA-N -1 3 299.370 3.389 20 0 CGADHM Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)c1cc(C)ccc1[O-] ZINC000091080888 165255829 /nfs/dbraw/zinc/25/58/29/165255829.db2.gz ARPQGZVVWAQKNX-CQSZACIVSA-N -1 3 299.374 3.018 20 0 CGADHM Cc1ccc([O-])c(CNc2cccc3cnccc32)n1 ZINC000091993809 165278439 /nfs/dbraw/zinc/27/84/39/165278439.db2.gz QBZBEKKHSVPMHJ-UHFFFAOYSA-N -1 3 265.316 3.256 20 0 CGADHM COc1ccc(C(=O)N2C[C@@H](C)[C@@H]2c2ccccc2)c([O-])c1 ZINC000091984414 165279267 /nfs/dbraw/zinc/27/92/67/165279267.db2.gz FJQOBSPDTBUVLE-SJKOYZFVSA-N -1 3 297.354 3.234 20 0 CGADHM CCCOc1cccc(NCc2nc(C)ccc2[O-])c1 ZINC000091993938 165280013 /nfs/dbraw/zinc/28/00/13/165280013.db2.gz UKLJPUNKMLCRPN-UHFFFAOYSA-N -1 3 272.348 3.497 20 0 CGADHM CCC1(C(=O)Nc2ccc([O-])cc2F)CCCC1 ZINC000094904171 165393726 /nfs/dbraw/zinc/39/37/26/165393726.db2.gz DLINZQYQBWWQIG-UHFFFAOYSA-N -1 3 251.301 3.440 20 0 CGADHM COc1ccc([O-])c(-c2nc(-c3ccsc3)no2)c1 ZINC000109037395 287127654 /nfs/dbraw/zinc/12/76/54/287127654.db2.gz CVMRGADVKPDIAI-UHFFFAOYSA-N -1 3 274.301 3.179 20 0 CGADHM COc1ccc(Cc2noc(-c3cc(C)ccc3[O-])n2)cc1 ZINC000109037802 287127703 /nfs/dbraw/zinc/12/77/03/287127703.db2.gz ONIPLQFCFKATIA-UHFFFAOYSA-N -1 3 296.326 3.350 20 0 CGADHM Cc1ccccc1Cc1noc(-c2ccccc2[O-])n1 ZINC000111689477 287136694 /nfs/dbraw/zinc/13/66/94/287136694.db2.gz RVWFAPCJFPHGKA-UHFFFAOYSA-N -1 3 266.300 3.341 20 0 CGADHM O=S(=O)([N-]C1CCCC1)c1c(Cl)cccc1Cl ZINC000005567540 170114645 /nfs/dbraw/zinc/11/46/45/170114645.db2.gz XRMPINLFGOYFPA-UHFFFAOYSA-N -1 3 294.203 3.214 20 0 CGADHM CCN(CCc1ccccc1)C(=O)c1cc(C)ccc1[O-] ZINC000124412942 287232916 /nfs/dbraw/zinc/23/29/16/287232916.db2.gz ZSKSRFBBXXETON-UHFFFAOYSA-N -1 3 283.371 3.405 20 0 CGADHM C[C@@H](C(=O)Nc1ccccc1[O-])c1c(F)cccc1F ZINC000125923274 287253303 /nfs/dbraw/zinc/25/33/03/287253303.db2.gz BLNJQDFROGVIMY-SECBINFHSA-N -1 3 277.270 3.413 20 0 CGADHM Cc1nnc([N-]C(=O)c2oc3c(cccc3F)c2C)s1 ZINC000024071472 171431562 /nfs/dbraw/zinc/43/15/62/171431562.db2.gz VZBXDBHOGOIMQC-UHFFFAOYSA-N -1 3 291.307 3.293 20 0 CGADHM Cc1cccc([O-])c1NC(=O)c1cc[nH]c1C(C)C ZINC000285710899 196374660 /nfs/dbraw/zinc/37/46/60/196374660.db2.gz DUDTWZOQKYLEEA-UHFFFAOYSA-N -1 3 258.321 3.404 20 0 CGADHM O=C([O-])[C@@H](c1ccccc1Br)N1CCCCC1 ZINC000037362118 173151353 /nfs/dbraw/zinc/15/13/53/173151353.db2.gz YYSOEMBWHYIXOD-GFCCVEGCSA-N -1 3 298.180 3.061 20 0 CGADHM CCCCn1ncc(NC(=O)c2cccc(C)c2[O-])c1C ZINC000127331368 287285738 /nfs/dbraw/zinc/28/57/38/287285738.db2.gz LCRIKZJCIIHBRT-UHFFFAOYSA-N -1 3 287.363 3.258 20 0 CGADHM C[C@@H]1CCCC[C@H]1C(=O)N1CCCc2cccc([O-])c21 ZINC000424745928 287305054 /nfs/dbraw/zinc/30/50/54/287305054.db2.gz KMGOOJNPTRVPNA-TZMCWYRMSA-N -1 3 273.376 3.498 20 0 CGADHM O=C(Nc1cccc([O-])c1F)c1ccc(Cl)cc1 ZINC000128332403 287309042 /nfs/dbraw/zinc/30/90/42/287309042.db2.gz SKBNTJPLEAIQJD-UHFFFAOYSA-N -1 3 265.671 3.437 20 0 CGADHM O=C(Nc1cccc([O-])c1F)c1cccc2c1CCC2 ZINC000128591444 287313990 /nfs/dbraw/zinc/31/39/90/287313990.db2.gz UCURKHSMLOADAY-UHFFFAOYSA-N -1 3 271.291 3.272 20 0 CGADHM COc1cc(Cl)ccc1C(=O)Nc1cccc([O-])c1F ZINC000128600266 287314332 /nfs/dbraw/zinc/31/43/32/287314332.db2.gz NFIBLGXTSYXWEG-UHFFFAOYSA-N -1 3 295.697 3.446 20 0 CGADHM O=C(Nc1cccc([O-])c1F)c1ccc(F)c(F)c1F ZINC000128894872 287320008 /nfs/dbraw/zinc/32/00/08/287320008.db2.gz BNNYIVRFJWDBHB-UHFFFAOYSA-N -1 3 285.196 3.201 20 0 CGADHM Cc1ccc(C(=O)Nc2cccc([O-])c2F)cc1C ZINC000128959586 287321468 /nfs/dbraw/zinc/32/14/68/287321468.db2.gz VSOLLODSEXGECY-UHFFFAOYSA-N -1 3 259.280 3.400 20 0 CGADHM O=C(/C=C/c1ccc(Cl)nc1)Nc1cccc([O-])c1F ZINC000129206500 287326716 /nfs/dbraw/zinc/32/67/16/287326716.db2.gz YNICRGXIIHNVNW-FNORWQNLSA-N -1 3 292.697 3.232 20 0 CGADHM O=C(Cc1cc(F)c(F)cc1F)Nc1cccc([O-])c1F ZINC000129193886 287326403 /nfs/dbraw/zinc/32/64/03/287326403.db2.gz DWLAXMXAOCUECE-UHFFFAOYSA-N -1 3 299.223 3.130 20 0 CGADHM CCOc1cccc(C(=O)Nc2ccccc2[O-])c1 ZINC000048625668 416456612 /nfs/dbraw/zinc/45/66/12/416456612.db2.gz TYGSYIUMOQEQPR-UHFFFAOYSA-N -1 3 257.289 3.043 20 0 CGADHM Cc1cc(C(=O)Nc2ccc(C)cc2[O-])nn1[C@@H](C)C1CC1 ZINC000679083655 543590381 /nfs/dbraw/zinc/59/03/81/543590381.db2.gz ABJROLHMNABFNM-LBPRGKRZSA-N -1 3 299.374 3.429 20 0 CGADHM Cc1cccc(C(=O)Nc2ncccc2[O-])c1Cl ZINC000129843517 287339845 /nfs/dbraw/zinc/33/98/45/287339845.db2.gz XEPJETGVBVKSMQ-UHFFFAOYSA-N -1 3 262.696 3.001 20 0 CGADHM C[C@H]1CCN(C(=O)c2cc3c(cc2[O-])CCCC3)C[C@H]1F ZINC000679249795 543607393 /nfs/dbraw/zinc/60/73/93/543607393.db2.gz DUOBDRBQJPMZQP-XHDPSFHLSA-N -1 3 291.366 3.091 20 0 CGADHM CCCCCSc1ccc(-c2nnn[n-]2)cc1F ZINC000736451867 572794434 /nfs/dbraw/zinc/79/44/34/572794434.db2.gz QHYLCIYYRYXBIL-UHFFFAOYSA-N -1 3 266.345 3.288 20 0 CGADHM CCCCCSc1ccc(-c2nn[n-]n2)cc1F ZINC000736451867 572794439 /nfs/dbraw/zinc/79/44/39/572794439.db2.gz QHYLCIYYRYXBIL-UHFFFAOYSA-N -1 3 266.345 3.288 20 0 CGADHM CC[C@H](C)CCCCC(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000680189071 543688977 /nfs/dbraw/zinc/68/89/77/543688977.db2.gz FCNNLHRTLZPIGA-QMMMGPOBSA-N -1 3 292.305 3.369 20 0 CGADHM CC[C@H](C)CCCCC(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000680189071 543688980 /nfs/dbraw/zinc/68/89/80/543688980.db2.gz FCNNLHRTLZPIGA-QMMMGPOBSA-N -1 3 292.305 3.369 20 0 CGADHM Cc1ccsc1[C@H]1C[C@H]1C(=O)Nc1nc(C)ccc1[O-] ZINC000680321182 543696679 /nfs/dbraw/zinc/69/66/79/543696679.db2.gz KNSAOCUEONYPCO-WDEREUQCSA-N -1 3 288.372 3.208 20 0 CGADHM O=C(NC1(c2ccc(F)cc2)CCC1)c1cccc([O-])c1 ZINC000679632663 543652583 /nfs/dbraw/zinc/65/25/83/543652583.db2.gz WZZPIRBXZMTXCM-UHFFFAOYSA-N -1 3 285.318 3.341 20 0 CGADHM COc1ccc(NC(=O)[C@@H](C)C2CCCC2)c([O-])c1 ZINC000682388421 543839871 /nfs/dbraw/zinc/83/98/71/543839871.db2.gz PJLHEIBPXSMBKX-JTQLQIEISA-N -1 3 263.337 3.166 20 0 CGADHM CCOC[C@H]([N-]c1nc(-c2ccccc2)no1)C(C)C ZINC000682720519 543861736 /nfs/dbraw/zinc/86/17/36/543861736.db2.gz KLAHBWAZKFSAIK-ZDUSSCGKSA-N -1 3 275.352 3.210 20 0 CGADHM Cc1ccsc1-c1nsc([N-]C(=O)c2ccoc2)n1 ZINC000131730086 287388032 /nfs/dbraw/zinc/38/80/32/287388032.db2.gz MDXJCUQFRIDGKO-UHFFFAOYSA-N -1 3 291.357 3.420 20 0 CGADHM CSc1cc(O)ccc1[N-]C(=O)c1nc(C)c(C)s1 ZINC000683578695 543927220 /nfs/dbraw/zinc/92/72/20/543927220.db2.gz MITRTFOMCCAQHC-UHFFFAOYSA-N -1 3 294.401 3.440 20 0 CGADHM COc1ccc([C@@H](CC(=O)[O-])NCc2cccs2)cc1 ZINC000683171853 543900851 /nfs/dbraw/zinc/90/08/51/543900851.db2.gz QYMRWHLWVLYUFP-CQSZACIVSA-N -1 3 291.372 3.062 20 0 CGADHM Cc1ccc(-c2nnc([N-]Cc3nccs3)o2)s1 ZINC000683721836 543935763 /nfs/dbraw/zinc/93/57/63/543935763.db2.gz VXCHQKXLJVDYJJ-UHFFFAOYSA-N -1 3 278.362 3.175 20 0 CGADHM Cc1ccc(F)c(C(=O)[N-]c2cnoc2)c1Br ZINC000683737355 543937277 /nfs/dbraw/zinc/93/72/77/543937277.db2.gz UPXKMNXPFDDYBP-UHFFFAOYSA-N -1 3 299.099 3.137 20 0 CGADHM CC1(F)CN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000684327594 543980927 /nfs/dbraw/zinc/98/09/27/543980927.db2.gz KBNZEIBIPXYTFX-UHFFFAOYSA-N -1 3 299.345 3.167 20 0 CGADHM [O-]c1cccnc1CN1CC[C@H]1c1ccc(Cl)cc1 ZINC000685419255 544066870 /nfs/dbraw/zinc/06/68/70/544066870.db2.gz GMCARNMAOFJHEL-AWEZNQCLSA-N -1 3 274.751 3.388 20 0 CGADHM COc1cccc([C@@H]2C[C@@H](C)CN2Cc2ncccc2[O-])c1 ZINC000685427286 544067844 /nfs/dbraw/zinc/06/78/44/544067844.db2.gz LZAJJYXWNYSQQG-DYVFJYSZSA-N -1 3 298.386 3.379 20 0 CGADHM COCC(C)(C)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000132739930 287410216 /nfs/dbraw/zinc/41/02/16/287410216.db2.gz KSHHWZCYSQTWAR-UHFFFAOYSA-N -1 3 291.269 3.022 20 0 CGADHM FC(F)(F)c1nnc([N-]Cc2cc3ccccc3[nH]2)o1 ZINC000685915760 544107723 /nfs/dbraw/zinc/10/77/23/544107723.db2.gz HDZQWFRRVSLPKU-UHFFFAOYSA-N -1 3 282.225 3.182 20 0 CGADHM Cc1cc(CN2CC3(CCC3)C[C@@H]2C)oc1C(=O)[O-] ZINC000652446562 418969877 /nfs/dbraw/zinc/96/98/77/418969877.db2.gz LDQYMAYDCSHFPC-NSHDSACASA-N -1 3 263.337 3.051 20 0 CGADHM Cc1ccc(CN(Cc2ccccc2)C[C@H](C)C(=O)[O-])nc1 ZINC000652456463 418969922 /nfs/dbraw/zinc/96/99/22/418969922.db2.gz HVRVGYQABYVOPF-HNNXBMFYSA-N -1 3 298.386 3.113 20 0 CGADHM O=C([O-])c1coc(CN(C2CC2)C2CCCCC2)c1 ZINC000652401266 418961634 /nfs/dbraw/zinc/96/16/34/418961634.db2.gz VUACPLAPSDNOPC-UHFFFAOYSA-N -1 3 263.337 3.275 20 0 CGADHM CC[C@H]1c2ccccc2CCN1Cc1ccc(C(=O)[O-])o1 ZINC000652414596 418964414 /nfs/dbraw/zinc/96/44/14/418964414.db2.gz IMERKFJZOVFVJP-HNNXBMFYSA-N -1 3 285.343 3.487 20 0 CGADHM C[C@@]1(c2cccc(F)c2)CCN(C(=O)c2cccc([O-])c2)C1 ZINC000652617493 418986636 /nfs/dbraw/zinc/98/66/36/418986636.db2.gz JPBOLTNYFQSRAB-GOSISDBHSA-N -1 3 299.345 3.335 20 0 CGADHM O=C([O-])c1cccc2c1CCN(CCCC1CCC1)C2 ZINC000659792250 418991607 /nfs/dbraw/zinc/99/16/07/418991607.db2.gz FNWPHAPGYMAHIX-UHFFFAOYSA-N -1 3 273.376 3.323 20 0 CGADHM O=C([O-])[C@H](c1ccccc1C(F)(F)F)N1CC[C@@H]2C[C@@H]2C1 ZINC000659799631 418992587 /nfs/dbraw/zinc/99/25/87/418992587.db2.gz GIXPQSCJJZZTRH-BREBYQMCSA-N -1 3 299.292 3.173 20 0 CGADHM Cc1oc(CN(C)C[C@H]2CCc3ccccc32)cc1C(=O)[O-] ZINC000659803851 418996277 /nfs/dbraw/zinc/99/62/77/418996277.db2.gz OHELXODYMUZCHR-CQSZACIVSA-N -1 3 299.370 3.448 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)c1cc[nH]c1C1CCC1 ZINC000653036088 419012511 /nfs/dbraw/zinc/01/25/11/419012511.db2.gz XCUVQBJQWATLBP-UHFFFAOYSA-N -1 3 286.379 3.111 20 0 CGADHM O=C([O-])CCC1CCN(Cc2scnc2C2CC2)CC1 ZINC000665343631 419113455 /nfs/dbraw/zinc/11/34/55/419113455.db2.gz OYTYIEVOUFKWBV-UHFFFAOYSA-N -1 3 294.420 3.097 20 0 CGADHM CCc1nsc([N-][C@H](C[C@H]2CCCO2)C(F)(F)F)n1 ZINC000656224109 419154788 /nfs/dbraw/zinc/15/47/88/419154788.db2.gz CVVLGGMDCMVZHC-HTQZYQBOSA-N -1 3 295.330 3.012 20 0 CGADHM O=C1C[C@H]2CC[C@@H](C1)N2Cc1cc([O-])cc(C(F)(F)F)c1 ZINC000656646000 419189867 /nfs/dbraw/zinc/18/98/67/419189867.db2.gz TYXMPPGJWLTVOB-TXEJJXNPSA-N -1 3 299.292 3.107 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2ccc3nccc(C)c3c2)n1 ZINC000355499263 227854172 /nfs/dbraw/zinc/85/41/72/227854172.db2.gz KWEODFSEGCYVLL-UHFFFAOYSA-N -1 3 293.326 3.205 20 0 CGADHM O=c1cc(CN2CCC(C3CCC3)CC2)nc(C2CC2)[n-]1 ZINC000661374103 419253744 /nfs/dbraw/zinc/25/37/44/419253744.db2.gz IRCBVFYPDABGLC-UHFFFAOYSA-N -1 3 287.407 3.072 20 0 CGADHM COc1ccc([C@H]2CCCN2CCCCC(=O)[O-])cc1F ZINC000656764483 419212047 /nfs/dbraw/zinc/21/20/47/419212047.db2.gz YFBWRMNBEATFHM-CQSZACIVSA-N -1 3 295.354 3.226 20 0 CGADHM O=C([O-])c1ccc(CN2CCC[C@@H](CCF)C2)s1 ZINC000656762543 419212608 /nfs/dbraw/zinc/21/26/08/419212608.db2.gz FATZHHQCUMTKNC-JTQLQIEISA-N -1 3 271.357 3.018 20 0 CGADHM Cc1cc(S(=O)(=O)[N-]CCC(C)(C)F)sc1Cl ZINC000657141877 419228242 /nfs/dbraw/zinc/22/82/42/419228242.db2.gz ULLBCHAXDRPCJS-UHFFFAOYSA-N -1 3 299.820 3.126 20 0 CGADHM [O-]c1cccc(CN[C@@]23C[C@@H]2CCC3)c1Br ZINC000657550968 419302569 /nfs/dbraw/zinc/30/25/69/419302569.db2.gz GADYKNCJWJBGJP-GWCFXTLKSA-N -1 3 282.181 3.187 20 0 CGADHM C[C@@H]1CN(Cc2cc([O-])cc(C(F)(F)F)c2)C[C@H](C)O1 ZINC000356090614 228116649 /nfs/dbraw/zinc/11/66/49/228116649.db2.gz RQQNABFIEHUZMJ-AOOOYVTPSA-N -1 3 289.297 3.020 20 0 CGADHM CCOc1nc2cc(C(=O)N3CCC(C)=C(C)C3)ccc2[n-]1 ZINC000332576743 228163505 /nfs/dbraw/zinc/16/35/05/228163505.db2.gz GMFQHJSRPWXRRX-UHFFFAOYSA-N -1 3 299.374 3.144 20 0 CGADHM CCOc1nc2ccc(C(=O)N3CCC(C)=C(C)C3)cc2[n-]1 ZINC000332576743 228163506 /nfs/dbraw/zinc/16/35/06/228163506.db2.gz GMFQHJSRPWXRRX-UHFFFAOYSA-N -1 3 299.374 3.144 20 0 CGADHM COc1cccc(CN2CCC[C@@H](C)[C@H]2C(=O)[O-])c1Cl ZINC000662211437 419362366 /nfs/dbraw/zinc/36/23/66/419362366.db2.gz GVGBEXWQNUAZPC-YGRLFVJLSA-N -1 3 297.782 3.034 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N(C)C[C@@H]2CCc3ccccc32)n1 ZINC000662195987 419353086 /nfs/dbraw/zinc/35/30/86/419353086.db2.gz DMUHTEQXDCIZBP-ZFWWWQNUSA-N -1 3 297.402 3.213 20 0 CGADHM CCS(=O)(=O)[N-]c1c(C)c2ccccc2nc1SC ZINC000663298735 419544293 /nfs/dbraw/zinc/54/42/93/419544293.db2.gz BVKYSVNEUIJKFH-UHFFFAOYSA-N -1 3 296.417 3.027 20 0 CGADHM CC1(C)C[C@@H]([N-]c2nc(-c3cccc(Cl)c3)no2)CO1 ZINC000664144044 419843596 /nfs/dbraw/zinc/84/35/96/419843596.db2.gz GGDBRZPJVQGXAY-LLVKDONJSA-N -1 3 293.754 3.369 20 0 CGADHM COc1ccccc1/C=C/C(=O)Nc1c(C)cccc1[O-] ZINC000179560882 260055517 /nfs/dbraw/zinc/05/55/17/260055517.db2.gz UBHWLUSCNFMBDY-ZHACJKMWSA-N -1 3 283.327 3.361 20 0 CGADHM Cc1ccc([O-])c(CN(C)Cc2ccc(F)c(C)c2)n1 ZINC000521346276 260082597 /nfs/dbraw/zinc/08/25/97/260082597.db2.gz ADARCAXCVMOBNP-UHFFFAOYSA-N -1 3 274.339 3.175 20 0 CGADHM CCOc1ccccc1NC([O-])=NOC[C@@H](C)CC ZINC000291685968 263124801 /nfs/dbraw/zinc/12/48/01/263124801.db2.gz CXWYMPQMYVTIFG-NSHDSACASA-N -1 3 266.341 3.185 20 0 CGADHM CCOc1ccccc1NC(=O)[N-]OC[C@@H](C)CC ZINC000291685968 263124802 /nfs/dbraw/zinc/12/48/02/263124802.db2.gz CXWYMPQMYVTIFG-NSHDSACASA-N -1 3 266.341 3.185 20 0 CGADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCCC1 ZINC000101626706 270044740 /nfs/dbraw/zinc/04/47/40/270044740.db2.gz FYJMKVUANYJLAZ-UHFFFAOYSA-N -1 3 295.382 3.413 20 0 CGADHM Cc1ccccc1C(C)(C)CNC(=O)c1cccc([O-])c1 ZINC000182282986 270054094 /nfs/dbraw/zinc/05/40/94/270054094.db2.gz OSFSORKCVCLIII-UHFFFAOYSA-N -1 3 283.371 3.408 20 0 CGADHM CC(=O)N(C)c1cccc(NCc2cc([O-])cc(F)c2)c1 ZINC000185562345 270063444 /nfs/dbraw/zinc/06/34/44/270063444.db2.gz BMGPZZXASNQDON-UHFFFAOYSA-N -1 3 288.322 3.126 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-][C@H](C)CCC(C)C)c(F)c1 ZINC000303238655 270091933 /nfs/dbraw/zinc/09/19/33/270091933.db2.gz HYPLUXJICSPUFZ-GFCCVEGCSA-N -1 3 287.400 3.237 20 0 CGADHM COc1ccc2c(c1)CCC[C@H]2N(C)Cc1ncccc1[O-] ZINC000515917683 270097285 /nfs/dbraw/zinc/09/72/85/270097285.db2.gz SYOHCYKOQWPJLQ-QGZVFWFLSA-N -1 3 298.386 3.305 20 0 CGADHM CCc1noc(C)c1[N-]C(=O)c1cccnc1C(F)(F)F ZINC000355981312 266052378 /nfs/dbraw/zinc/05/23/78/266052378.db2.gz GHTWUXAVGBCNSJ-UHFFFAOYSA-N -1 3 299.252 3.212 20 0 CGADHM CCC[C@@H](C)C(=O)N=c1[nH][n-]c(C)c1-c1ccccc1 ZINC000522212224 270105326 /nfs/dbraw/zinc/10/53/26/270105326.db2.gz WILYRNDRGABJDI-LLVKDONJSA-N -1 3 271.364 3.182 20 0 CGADHM C[C@@H]1CCCC[C@@H]1CC(=O)N=c1cc(-c2ccncc2)[n-][nH]1 ZINC000522312568 270105944 /nfs/dbraw/zinc/10/59/44/270105944.db2.gz ZJWVFTKONUPSCX-TZMCWYRMSA-N -1 3 298.390 3.049 20 0 CGADHM CCc1cccc(-c2nc([C@H]3CC[C@@H](C)O3)no2)c1[O-] ZINC000528235689 270159142 /nfs/dbraw/zinc/15/91/42/270159142.db2.gz LBQWEUHKEXQLBM-BXKDBHETSA-N -1 3 274.320 3.245 20 0 CGADHM O=C(N[C@H](c1ccccn1)C1CCC1)c1ccccc1[O-] ZINC000529826506 270189359 /nfs/dbraw/zinc/18/93/59/270189359.db2.gz QEIBMMRBKUYFPJ-INIZCTEOSA-N -1 3 282.343 3.058 20 0 CGADHM Cc1cccc([C@@H](NC(=O)c2csc(=O)[n-]2)C(C)C)c1 ZINC000530034852 270193497 /nfs/dbraw/zinc/19/34/97/270193497.db2.gz YAVNVGXQXWDFDQ-ZDUSSCGKSA-N -1 3 290.388 3.284 20 0 CGADHM COCCC1CCN(Cc2cc(C(=O)[O-])sc2C)CC1 ZINC000530164553 270195380 /nfs/dbraw/zinc/19/53/80/270195380.db2.gz QZNOVVKPVCALBW-UHFFFAOYSA-N -1 3 297.420 3.003 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)[C@@H]2C[C@@H]2C(C)C)c1-c1ccc(C)cc1 ZINC000530273845 270198118 /nfs/dbraw/zinc/19/81/18/270198118.db2.gz RLIAEIZVFRZRMS-HUUCEWRRSA-N -1 3 297.402 3.346 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)[C@@H](C)C2CCC2)c1-c1ccc(C)cc1 ZINC000530272141 270198135 /nfs/dbraw/zinc/19/81/35/270198135.db2.gz FEFMQNJFRACGII-LBPRGKRZSA-N -1 3 297.402 3.490 20 0 CGADHM CCc1ccc(C(=O)N2CCC[C@H]2c2ccccn2)c([O-])c1 ZINC000530324558 270199095 /nfs/dbraw/zinc/19/90/95/270199095.db2.gz YZCXGZFVTCXSDS-INIZCTEOSA-N -1 3 296.370 3.327 20 0 CGADHM CCc1cccc(C(=O)N2CC[C@@H](C(C)C)C2)c1[O-] ZINC000531774947 270209759 /nfs/dbraw/zinc/20/97/59/270209759.db2.gz ITBBPWUAQZSYGC-CYBMUJFWSA-N -1 3 261.365 3.073 20 0 CGADHM C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cccc([O-])c1 ZINC000248420800 287764776 /nfs/dbraw/zinc/76/47/76/287764776.db2.gz XMAXWOCZIQSHKE-LALPHHSUSA-N -1 3 259.349 3.185 20 0 CGADHM Cc1ccc([O-])c(C(=O)N[C@@H]2CCOc3c(C)cccc32)c1 ZINC000355948924 274754640 /nfs/dbraw/zinc/75/46/40/274754640.db2.gz MEJCGQOOQXCQSW-OAHLLOKOSA-N -1 3 297.354 3.263 20 0 CGADHM [O-]c1cc(F)cc(CN[C@H]2CCOc3ccccc32)c1 ZINC000184138169 275060826 /nfs/dbraw/zinc/06/08/26/275060826.db2.gz PWTYVVFYVAOXLI-HNNXBMFYSA-N -1 3 273.307 3.145 20 0 CGADHM CC(C)c1cc(C(=O)N2CC[C@@H](C)c3cccc([O-])c32)n[nH]1 ZINC000186327090 275726871 /nfs/dbraw/zinc/72/68/71/275726871.db2.gz CTKDKZBGTLGPDD-LLVKDONJSA-N -1 3 299.374 3.393 20 0 CGADHM CC(C)c1ccc(C(=O)N2CCS[C@H](C)[C@@H]2C)c([O-])c1 ZINC000436528177 276049669 /nfs/dbraw/zinc/04/96/69/276049669.db2.gz KMEHMXBATNYIEW-NWDGAFQWSA-N -1 3 293.432 3.482 20 0 CGADHM CCc1ocnc1C(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000274383729 276707581 /nfs/dbraw/zinc/70/75/81/276707581.db2.gz NLFJINMQVFVFJH-JTQLQIEISA-N -1 3 286.331 3.097 20 0 CGADHM CC(C)CC[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccco1 ZINC000445716335 277363772 /nfs/dbraw/zinc/36/37/72/277363772.db2.gz OZEDZMWWVSPXBL-STQMWFEESA-N -1 3 285.409 3.163 20 0 CGADHM Cc1cccc(C(=O)NC[C@@H](C)CC(F)(F)F)c1[O-] ZINC000397045973 288020762 /nfs/dbraw/zinc/02/07/62/288020762.db2.gz OVTLOMZKRIOSDT-QMMMGPOBSA-N -1 3 275.270 3.019 20 0 CGADHM CC1(C2(NCc3cccc([O-])c3Cl)CC2)CC1 ZINC000398154598 288039580 /nfs/dbraw/zinc/03/95/80/288039580.db2.gz VZOHOQYKMKEDGL-UHFFFAOYSA-N -1 3 251.757 3.468 20 0 CGADHM C[C@@H]1CN(C(=O)c2cccc([O-])c2)[C@H]2CCCC[C@H]12 ZINC000180516837 288045774 /nfs/dbraw/zinc/04/57/74/288045774.db2.gz DTCQPGLQJRQMKY-DFBGVHRSSA-N -1 3 259.349 3.043 20 0 CGADHM Cc1cccc([O-])c1NC(=O)c1ccc(OC(C)C)cn1 ZINC000444345634 278928291 /nfs/dbraw/zinc/92/82/91/278928291.db2.gz SXSMWRYSFDSXCT-UHFFFAOYSA-N -1 3 286.331 3.135 20 0 CGADHM CC(C)C[C@@H]1CCCCN1C(=O)c1ccc(O)cc1[O-] ZINC000162973843 279020846 /nfs/dbraw/zinc/02/08/46/279020846.db2.gz CULHZYKMLZMGIT-LBPRGKRZSA-N -1 3 277.364 3.139 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N2CC[C@H](C)C3(CCC3)C2)n1 ZINC000517010168 288130082 /nfs/dbraw/zinc/13/00/82/288130082.db2.gz SZKGWGULVKQVBD-AAEUAGOBSA-N -1 3 275.396 3.064 20 0 CGADHM C[C@H]1CCN([C@@H](C(=O)[O-])c2ccccc2C(F)(F)F)C1 ZINC000521886999 288142532 /nfs/dbraw/zinc/14/25/32/288142532.db2.gz VNBGRONQFRNDJT-JOYOIKCWSA-N -1 3 287.281 3.173 20 0 CGADHM C[C@H]1CCN(C(=O)[C@@H]2CCCSC2)c2c([O-])cccc21 ZINC000336100571 279704329 /nfs/dbraw/zinc/70/43/29/279704329.db2.gz ZNMLMYPFBXOVCN-NWDGAFQWSA-N -1 3 291.416 3.376 20 0 CGADHM CC[C@@H]1CCCCCN1C(=O)c1ccc([O-])c(OC)c1 ZINC000442976963 280237605 /nfs/dbraw/zinc/23/76/05/280237605.db2.gz NHCLHKNCICYSGB-CYBMUJFWSA-N -1 3 277.364 3.196 20 0 CGADHM Cc1c[nH]cc1C(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000336585491 280279868 /nfs/dbraw/zinc/27/98/68/280279868.db2.gz VXSXHUYNXTVCOZ-JTQLQIEISA-N -1 3 270.332 3.183 20 0 CGADHM Cc1cc(C(=O)N2CCCC3(CCC3)C2)ccc1[O-] ZINC000352170912 280323107 /nfs/dbraw/zinc/32/31/07/280323107.db2.gz OGDNYKJPYWHNEB-UHFFFAOYSA-N -1 3 259.349 3.107 20 0 CGADHM CC(C)[C@H]1CN(C(=O)c2c([O-])cccc2O)c2ccccc21 ZINC000278437571 280424249 /nfs/dbraw/zinc/42/42/49/280424249.db2.gz VEZGOBRDQJRBFV-CYBMUJFWSA-N -1 3 297.354 3.498 20 0 CGADHM O=C([N-]OCCC1CC1)[C@@H]1CC[C@H]1c1ccc(F)cc1 ZINC000529424654 288245971 /nfs/dbraw/zinc/24/59/71/288245971.db2.gz JVRUIAXKDOVGTP-LSDHHAIUSA-N -1 3 277.339 3.167 20 0 CGADHM C[C@H]1[C@@H](C2CC2)[C@H]1C(=O)Nc1ccc([O-])cc1Cl ZINC000529514242 288255466 /nfs/dbraw/zinc/25/54/66/288255466.db2.gz AFQWHSAFVYAUNX-PAWXDDDFSA-N -1 3 265.740 3.276 20 0 CGADHM CCc1cccc(C(=O)N2C[C@H](C)C[C@H](C)[C@H]2C)c1[O-] ZINC000530510128 288308949 /nfs/dbraw/zinc/30/89/49/288308949.db2.gz CDMLUKGNLPZZAF-FRRDWIJNSA-N -1 3 275.392 3.461 20 0 CGADHM CCc1cccc(C(=O)Nc2cnc3onc(C)c3c2)c1[O-] ZINC000530957678 288320652 /nfs/dbraw/zinc/32/06/52/288320652.db2.gz OATUDNXIFVXELA-UHFFFAOYSA-N -1 3 297.314 3.052 20 0 CGADHM CCc1ccc(C(=O)NCCCC(C)(F)F)c([O-])c1 ZINC000452202812 281400395 /nfs/dbraw/zinc/40/03/95/281400395.db2.gz PWTDFOCLRXFWKT-UHFFFAOYSA-N -1 3 271.307 3.120 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2ccnn2[C@@H](C)C2CC2)c1 ZINC000535790896 288463225 /nfs/dbraw/zinc/46/32/25/288463225.db2.gz NEORQWCGINONOM-NSHDSACASA-N -1 3 299.374 3.374 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2ccc3c(c2)ncn3C)c1 ZINC000539874152 288636203 /nfs/dbraw/zinc/63/62/03/288636203.db2.gz OVWWZRPXNKUZGM-UHFFFAOYSA-N -1 3 295.342 3.094 20 0 CGADHM CC(C)c1ccc(CCNC(=O)c2ccc(O)cc2[O-])cc1 ZINC000540955136 288679218 /nfs/dbraw/zinc/67/92/18/288679218.db2.gz MYISLWUZTUSKML-UHFFFAOYSA-N -1 3 299.370 3.194 20 0 CGADHM [O-]c1ccc(-c2noc(-c3ccn(C4CCCC4)n3)n2)cc1 ZINC000545882827 288905868 /nfs/dbraw/zinc/90/58/68/288905868.db2.gz ONGBFXMYYNODAL-UHFFFAOYSA-N -1 3 296.330 3.421 20 0 CGADHM CCc1cccc(-c2nc(-c3ccc(F)cn3)no2)c1[O-] ZINC000547300810 288954239 /nfs/dbraw/zinc/95/42/39/288954239.db2.gz VITKQHNJONHXSS-UHFFFAOYSA-N -1 3 285.278 3.206 20 0 CGADHM C[C@@]1(NC(=O)c2ccc(O)cc2[O-])CCCc2ccccc21 ZINC000436634405 289199813 /nfs/dbraw/zinc/19/98/13/289199813.db2.gz KSFYEFOIQGZQLB-GOSISDBHSA-N -1 3 297.354 3.079 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2cc3c(c(Cl)c2)OCO3)n1 ZINC000554518072 289288706 /nfs/dbraw/zinc/28/87/06/289288706.db2.gz HURIKJHITXQCAX-IHWYPQMZSA-N -1 3 290.706 3.043 20 0 CGADHM CC1(C)CC[C@H]1NCc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000554523283 289289726 /nfs/dbraw/zinc/28/97/26/289289726.db2.gz XZSUAONVIAWRNC-GFCCVEGCSA-N -1 3 297.358 3.360 20 0 CGADHM O=C(N=c1cc2ccccn2[n-]1)c1cccc(C2CCC2)c1 ZINC000557528107 289444855 /nfs/dbraw/zinc/44/48/55/289444855.db2.gz FWDCCDXCKSDLRN-UHFFFAOYSA-N -1 3 291.354 3.276 20 0 CGADHM O=C(Nc1c([O-])cccc1Cl)c1cc(C2CC2)on1 ZINC000558471745 289498215 /nfs/dbraw/zinc/49/82/15/289498215.db2.gz YBQRAIFRAGTGJX-UHFFFAOYSA-N -1 3 278.695 3.163 20 0 CGADHM CCO[C@@H]1C[C@H](N(C)Cc2ccc(C(=O)[O-])s2)C1(C)C ZINC000576285495 335183293 /nfs/dbraw/zinc/18/32/93/335183293.db2.gz KBWROXMWFXBSOE-QWHCGFSZSA-N -1 3 297.420 3.082 20 0 CGADHM Cc1ccoc1CNCCCCCCCC(=O)[O-] ZINC000277303340 302298440 /nfs/dbraw/zinc/29/84/40/302298440.db2.gz MYWHXIMOFGRAMP-UHFFFAOYSA-N -1 3 253.342 3.103 20 0 CGADHM Cc1cc([N-]C(=O)c2ccc(F)c(Cl)c2F)no1 ZINC000184420691 327828009 /nfs/dbraw/zinc/82/80/09/327828009.db2.gz PKVKWVVEGMNMPQ-UHFFFAOYSA-N -1 3 272.638 3.167 20 0 CGADHM COc1ccc(C(=O)Nc2ccc(Cl)cc2[O-])c(F)c1 ZINC000153582725 321722833 /nfs/dbraw/zinc/72/28/33/321722833.db2.gz RJBLMDVPUNOARR-UHFFFAOYSA-N -1 3 295.697 3.446 20 0 CGADHM Cc1cccc([C@H](C)C(=O)NCc2ccc([O-])c(F)c2)c1 ZINC000155277100 321761054 /nfs/dbraw/zinc/76/10/54/321761054.db2.gz DRKIFEQMRFJCJW-LBPRGKRZSA-N -1 3 287.334 3.260 20 0 CGADHM Cc1cc(F)ccc1C(=O)Nc1cc(F)ccc1[O-] ZINC000157312390 321793295 /nfs/dbraw/zinc/79/32/95/321793295.db2.gz KQQVWLOEOMERAW-UHFFFAOYSA-N -1 3 263.243 3.231 20 0 CGADHM C[C@H](NCC1CCCCCC1)c1ncc(C(=O)[O-])s1 ZINC000315291522 321959850 /nfs/dbraw/zinc/95/98/50/321959850.db2.gz HNWHYAIGHXXGNG-JTQLQIEISA-N -1 3 282.409 3.462 20 0 CGADHM C[C@@H](c1cccc(Cl)c1)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000563886749 322014045 /nfs/dbraw/zinc/01/40/45/322014045.db2.gz XTCUETPCXKZNFB-UHIISALHSA-N -1 3 281.783 3.444 20 0 CGADHM CO[C@@H](C(=O)Nc1c([O-])cccc1Cl)c1ccccc1 ZINC000564382652 322029156 /nfs/dbraw/zinc/02/91/56/322029156.db2.gz YDEKYMHCCBNYSS-CQSZACIVSA-N -1 3 291.734 3.372 20 0 CGADHM C[C@H]1CCN(CCc2ccc(F)cc2Cl)C[C@@H]1C(=O)[O-] ZINC000564969818 322051905 /nfs/dbraw/zinc/05/19/05/322051905.db2.gz CJXCKOJWJXLUPK-GWCFXTLKSA-N -1 3 299.773 3.064 20 0 CGADHM CC[C@@H](c1ccccc1)N(CC(=O)[O-])Cc1cncc(C)c1 ZINC000565256070 322070635 /nfs/dbraw/zinc/07/06/35/322070635.db2.gz ZQLHNZDREGJIIN-KRWDZBQOSA-N -1 3 298.386 3.428 20 0 CGADHM Cc1cc([C@H](C)N2CC[C@H](OCC(C)C)C2)oc1C(=O)[O-] ZINC000565426597 322077228 /nfs/dbraw/zinc/07/72/28/322077228.db2.gz LWOCSPUAHBFVLD-STQMWFEESA-N -1 3 295.379 3.094 20 0 CGADHM O=C([O-])C1CCN(C/C=C\c2ccc(Cl)cc2)CC1 ZINC000565880381 322095511 /nfs/dbraw/zinc/09/55/11/322095511.db2.gz WQRVOGVTYIFVAN-UPHRSURJSA-N -1 3 279.767 3.150 20 0 CGADHM CC(C)[C@@H]1CN([C@@H](C(=O)[O-])c2ccccc2F)CCS1 ZINC000566074066 322102859 /nfs/dbraw/zinc/10/28/59/322102859.db2.gz LKUZXRWRFKRNPK-UONOGXRCSA-N -1 3 297.395 3.025 20 0 CGADHM CC(C)[C@H]1CN([C@@H](C(=O)[O-])c2ccccc2F)CCS1 ZINC000566074067 322103080 /nfs/dbraw/zinc/10/30/80/322103080.db2.gz LKUZXRWRFKRNPK-ZIAGYGMSSA-N -1 3 297.395 3.025 20 0 CGADHM CC(C)Oc1ccccc1CN1C[C@H](C(=O)[O-])CC[C@@H]1C ZINC000566222146 322110191 /nfs/dbraw/zinc/11/01/91/322110191.db2.gz YJARUZXWULKSRL-DZGCQCFKSA-N -1 3 291.391 3.159 20 0 CGADHM Cc1cc([C@H](C)N2CC[C@@]3(C)[C@@H](C2)C3(F)F)oc1C(=O)[O-] ZINC000566510203 322127762 /nfs/dbraw/zinc/12/77/62/322127762.db2.gz LSCAUNXZRXNGMF-PXWWUCIGSA-N -1 3 299.317 3.324 20 0 CGADHM CCOC1(C)CCN([C@H](C)c2cc(C(=O)[O-])c(C)o2)CC1 ZINC000566510071 322128005 /nfs/dbraw/zinc/12/80/05/322128005.db2.gz IOKYFEWHHGHHGS-LLVKDONJSA-N -1 3 295.379 3.238 20 0 CGADHM CCCCN(C)Cc1c(Cl)cccc1C(=O)[O-] ZINC000566920479 322143294 /nfs/dbraw/zinc/14/32/94/322143294.db2.gz MMOGRDIYEDFXAU-UHFFFAOYSA-N -1 3 255.745 3.270 20 0 CGADHM CCN(Cc1ccc(C(=O)[O-])o1)[C@@H](C)Cc1ccsc1 ZINC000567280181 322157355 /nfs/dbraw/zinc/15/73/55/322157355.db2.gz SLUZEPWJOLIYIQ-NSHDSACASA-N -1 3 293.388 3.492 20 0 CGADHM CCC[C@H](CC)S(=O)(=O)[N-]c1cc(C)ccc1OC ZINC000567673509 322172757 /nfs/dbraw/zinc/17/27/57/322172757.db2.gz PUZVPXXZQRVKFR-LBPRGKRZSA-N -1 3 285.409 3.324 20 0 CGADHM C[C@H]1C[C@@H]1CC(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000567974349 322186338 /nfs/dbraw/zinc/18/63/38/322186338.db2.gz QAEBZPHUUGXZDZ-JGVFFNPUSA-N -1 3 289.253 3.275 20 0 CGADHM O=C([O-])CCC1CCN(CCCCC(F)(F)F)CC1 ZINC000568055259 322190102 /nfs/dbraw/zinc/19/01/02/322190102.db2.gz QZKFFPBCTMGGGP-UHFFFAOYSA-N -1 3 281.318 3.296 20 0 CGADHM O=C([O-])CC1(CN2CC=C(c3ccc(F)cc3)CC2)CC1 ZINC000568521792 322212595 /nfs/dbraw/zinc/21/25/95/322212595.db2.gz MOOOPZDUUAHKFA-UHFFFAOYSA-N -1 3 289.350 3.170 20 0 CGADHM Cc1ccc(CN(C)CC[C@@H](C(=O)[O-])c2ccccc2)o1 ZINC000569492782 322249071 /nfs/dbraw/zinc/24/90/71/322249071.db2.gz QRSXFOZUJPQQMV-MRXNPFEDSA-N -1 3 287.359 3.278 20 0 CGADHM C[C@@H](CC(=O)[O-])N(C)Cc1ccc(Cl)cc1Cl ZINC000569701529 322254684 /nfs/dbraw/zinc/25/46/84/322254684.db2.gz CYEGGJGWRYAOAY-QMMMGPOBSA-N -1 3 276.163 3.288 20 0 CGADHM COc1cccc(Cl)c1CN(C)[C@H](CC(C)C)C(=O)[O-] ZINC000569981617 322262283 /nfs/dbraw/zinc/26/22/83/322262283.db2.gz LBFQDEOMWPRNSB-CYBMUJFWSA-N -1 3 299.798 3.280 20 0 CGADHM Cc1n[nH]c(C)c1[C@H](C)C(=O)Nc1c([O-])cccc1Cl ZINC000570409556 322273079 /nfs/dbraw/zinc/27/30/79/322273079.db2.gz BRFKWGRJONFABQ-ZETCQYMHSA-N -1 3 293.754 3.128 20 0 CGADHM Cc1ccccc1[C@@H](C(=O)[O-])N1CC=C(C(F)(F)F)CC1 ZINC000570577340 322276983 /nfs/dbraw/zinc/27/69/83/322276983.db2.gz XKBUPEZBOIGXIP-ZDUSSCGKSA-N -1 3 299.292 3.315 20 0 CGADHM Cc1ccc(C)c([C@@H](C)N(C)C(=O)Cc2cncc([O-])c2)c1 ZINC000572060041 322318213 /nfs/dbraw/zinc/31/82/13/322318213.db2.gz JMUDRGCHHKPEFI-CQSZACIVSA-N -1 3 298.386 3.166 20 0 CGADHM CC(C)(C)C(C)(C)c1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000572530552 322341967 /nfs/dbraw/zinc/34/19/67/322341967.db2.gz FZOXDAVGHCDDJW-UHFFFAOYSA-N -1 3 285.351 3.332 20 0 CGADHM CCc1ccc([C@H]2CCCCN2CCCC(=O)[O-])o1 ZINC000572775487 322354285 /nfs/dbraw/zinc/35/42/85/322354285.db2.gz LWWWTBAMBYIUMJ-CYBMUJFWSA-N -1 3 265.353 3.234 20 0 CGADHM CN(Cc1cc2ccccc2o1)Cc1ncccc1[O-] ZINC000573248416 322377573 /nfs/dbraw/zinc/37/75/73/322377573.db2.gz RSGZAHLRLGGLKC-UHFFFAOYSA-N -1 3 268.316 3.165 20 0 CGADHM CC(=O)c1cccc(NC(=O)c2ccc(C)c(C)c2)c1[O-] ZINC000574659954 322451406 /nfs/dbraw/zinc/45/14/06/322451406.db2.gz WSMWLADOOJKXHS-UHFFFAOYSA-N -1 3 283.327 3.464 20 0 CGADHM Cc1cc([C@@H]2CCCN2Cc2ccccc2C(=O)[O-])on1 ZINC000584237160 327073036 /nfs/dbraw/zinc/07/30/36/327073036.db2.gz MZAMFZZBOJSXND-AWEZNQCLSA-N -1 3 286.331 3.018 20 0 CGADHM CCc1cccc(C(=O)N2CCC[C@@H](CSC)C2)c1[O-] ZINC000584309495 327235080 /nfs/dbraw/zinc/23/50/80/327235080.db2.gz JAIJAQPIXXWJTH-GFCCVEGCSA-N -1 3 293.432 3.170 20 0 CGADHM O=C([O-])c1coc(CNCC2CCCCCC2)c1 ZINC000389500140 328852504 /nfs/dbraw/zinc/85/25/04/328852504.db2.gz VNNQAVMUUBISRQ-UHFFFAOYSA-N -1 3 251.326 3.038 20 0 CGADHM CSc1ccccc1CN1CCC(CC(=O)[O-])CC1 ZINC000582791416 329206988 /nfs/dbraw/zinc/20/69/88/329206988.db2.gz VCXRPAKYGIKXBN-UHFFFAOYSA-N -1 3 279.405 3.095 20 0 CGADHM C[C@@H]1CC[C@@H](C(=O)[O-])CN1Cc1cccc(C(F)F)c1 ZINC000397097307 329327733 /nfs/dbraw/zinc/32/77/33/329327733.db2.gz MTKLSXXJMVYUOB-ZWNOBZJWSA-N -1 3 283.318 3.309 20 0 CGADHM CCC[C@H](CC)S(=O)(=O)[N-]c1cc(F)c(F)c(F)c1 ZINC000583266696 329413287 /nfs/dbraw/zinc/41/32/87/329413287.db2.gz SYXOFZIEPIYFRD-VIFPVBQESA-N -1 3 295.326 3.424 20 0 CGADHM C[C@@H]1CCN(C/C=C/c2ccc(F)c(F)c2)C[C@H]1C(=O)[O-] ZINC000580445336 330139390 /nfs/dbraw/zinc/13/93/90/330139390.db2.gz SVRZLIBEXNSYTJ-FTYDKLPRSA-N -1 3 295.329 3.021 20 0 CGADHM CCc1ccc([O-])c(C(=O)N(C)CCc2cccs2)c1 ZINC000174727697 335165427 /nfs/dbraw/zinc/16/54/27/335165427.db2.gz ZKRJFUROGCBQOD-UHFFFAOYSA-N -1 3 289.400 3.331 20 0 CGADHM O=C(CCC(=O)c1cccs1)Nc1cc(F)ccc1[O-] ZINC000174871970 335168080 /nfs/dbraw/zinc/16/80/80/335168080.db2.gz XEXAYGJSHHNASY-UHFFFAOYSA-N -1 3 293.319 3.194 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])c1cc2c(cccc2F)[nH]1 ZINC000174895958 335168861 /nfs/dbraw/zinc/16/88/61/335168861.db2.gz KTAWNDHRVMJDDI-UHFFFAOYSA-N -1 3 288.253 3.404 20 0 CGADHM O=C(Nc1cc(Cc2ccccc2)ccc1[O-])C1CC1 ZINC000175851590 335210558 /nfs/dbraw/zinc/21/05/58/335210558.db2.gz VODSQWAVOJOSGA-UHFFFAOYSA-N -1 3 267.328 3.332 20 0 CGADHM CCc1cccc(-c2nc([C@H](OC)C(C)C)no2)c1[O-] ZINC000576781072 335247367 /nfs/dbraw/zinc/24/73/67/335247367.db2.gz BGKIIDXKBKPLOW-CYBMUJFWSA-N -1 3 276.336 3.348 20 0 CGADHM CCc1ccc(CC(=O)Nc2c(C)cccc2[O-])cc1 ZINC000179563183 335501042 /nfs/dbraw/zinc/50/10/42/335501042.db2.gz XVEDOQDJQAXESY-UHFFFAOYSA-N -1 3 269.344 3.444 20 0 CGADHM [O-]c1ccc(-c2noc(-c3cc(-c4ccco4)on3)n2)cc1 ZINC000350582195 335516315 /nfs/dbraw/zinc/51/63/15/335516315.db2.gz MYAIXWUHSAKFFC-UHFFFAOYSA-N -1 3 295.254 3.357 20 0 CGADHM CCCc1coc([N-]C(=O)c2cc(Br)co2)n1 ZINC000579369752 335741147 /nfs/dbraw/zinc/74/11/47/335741147.db2.gz LXAWMMJEBHWHAJ-UHFFFAOYSA-N -1 3 299.124 3.235 20 0 CGADHM Cc1cc([C@H]2CCCN2CCC(C)(C)CC(=O)[O-])on1 ZINC000581196103 336023105 /nfs/dbraw/zinc/02/31/05/336023105.db2.gz JZLMYUWILSTRRQ-GFCCVEGCSA-N -1 3 280.368 3.011 20 0 CGADHM C[C@H]1C[C@H](C)N(Cc2cccc(C(=O)[O-])c2Cl)C1 ZINC000381976471 336079402 /nfs/dbraw/zinc/07/94/02/336079402.db2.gz WDMFSDRTEWYGEP-UWVGGRQHSA-N -1 3 267.756 3.269 20 0 CGADHM Cc1ccsc1CN(C)Cc1ccsc1C(=O)[O-] ZINC000383722554 336116921 /nfs/dbraw/zinc/11/69/21/336116921.db2.gz KKXYGBIJUHHAGW-UHFFFAOYSA-N -1 3 281.402 3.448 20 0 CGADHM O=C([O-])c1cccc2c1CCN(C[C@@H]1CCC(F)(F)C1)C2 ZINC000384425743 336124456 /nfs/dbraw/zinc/12/44/56/336124456.db2.gz KOGGNBTUIDGZLF-LLVKDONJSA-N -1 3 295.329 3.178 20 0 CGADHM CC(C)C[C@@H]1C[C@H]1NC(=O)c1cc([O-])ccc1Cl ZINC000385763166 336156092 /nfs/dbraw/zinc/15/60/92/336156092.db2.gz YYHOPDUUMCXZOW-NOZJJQNGSA-N -1 3 267.756 3.210 20 0 CGADHM CCS[C@H](C(=O)Nc1cccc(C(C)=O)c1[O-])C(C)C ZINC000581965851 336180488 /nfs/dbraw/zinc/18/04/88/336180488.db2.gz ZPENCKFWYLNWNQ-AWEZNQCLSA-N -1 3 295.404 3.311 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CC[C@@](F)(c3ccccc3)C2)c1 ZINC000582015429 336192483 /nfs/dbraw/zinc/19/24/83/336192483.db2.gz UZKSNBZCFJMDPA-SFHVURJKSA-N -1 3 299.345 3.412 20 0 CGADHM Cc1cc(C(=O)N[C@@H]2CC23CCCCC3)ccc1[O-] ZINC000387391061 336193474 /nfs/dbraw/zinc/19/34/74/336193474.db2.gz ZRHPQUJBFIGQCG-CQSZACIVSA-N -1 3 259.349 3.153 20 0 CGADHM CC(C)c1nc(C[S@](=O)c2ccc([O-])cc2)cs1 ZINC000108084406 519865447 /nfs/dbraw/zinc/86/54/47/519865447.db2.gz JVBGWDPOFHXOCI-GOSISDBHSA-N -1 3 281.402 3.280 20 0 CGADHM Cc1ccc(CC[C@H](C)NC(=O)c2cccc(C)c2[O-])o1 ZINC000436591140 533828315 /nfs/dbraw/zinc/82/83/15/533828315.db2.gz PITFEAPGRDTZLN-LBPRGKRZSA-N -1 3 287.359 3.353 20 0 CGADHM C[C@@H]1Cc2ccccc2[C@H]1NC(=O)Cc1ccc([O-])c(F)c1 ZINC000448961738 534084746 /nfs/dbraw/zinc/08/47/46/534084746.db2.gz NTLAPEQHGQTFIY-ZMZPIMSZSA-N -1 3 299.345 3.124 20 0 CGADHM COc1ccc([O-])c2nc(/C=C/c3c(C)cnn3C)ccc12 ZINC000436575388 534204513 /nfs/dbraw/zinc/20/45/13/534204513.db2.gz IUHLYLARABBMBT-FNORWQNLSA-N -1 3 295.342 3.161 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-]CC2CCC(C)(C)CC2)o1 ZINC000358594848 534207541 /nfs/dbraw/zinc/20/75/41/534207541.db2.gz QJRKWKOQPJURST-UHFFFAOYSA-N -1 3 285.409 3.083 20 0 CGADHM Cc1ccc(-c2noc(-c3ccc(C)c(C)c3[O-])n2)cn1 ZINC000436903971 534229711 /nfs/dbraw/zinc/22/97/11/534229711.db2.gz OFIJKNRTMXFMIW-UHFFFAOYSA-N -1 3 281.315 3.429 20 0 CGADHM O=C(Nc1ccccc1[O-])c1ccn(Cc2ccccc2)c1 ZINC000359166406 534398638 /nfs/dbraw/zinc/39/86/38/534398638.db2.gz IJIVZLMILMXNHO-UHFFFAOYSA-N -1 3 292.338 3.494 20 0 CGADHM Cc1cccc(C(=O)NC2CC(c3ccccc3)C2)c1[O-] ZINC000436516087 534601102 /nfs/dbraw/zinc/60/11/02/534601102.db2.gz UQJHNTFIANKVNG-UHFFFAOYSA-N -1 3 281.355 3.377 20 0 CGADHM Cc1cccc(C(=O)N[C@@H]2CCCC(F)(F)C2)c1[O-] ZINC000436607747 534617537 /nfs/dbraw/zinc/61/75/37/534617537.db2.gz TZZRGRBCHBIIDR-SNVBAGLBSA-N -1 3 269.291 3.008 20 0 CGADHM O=C(NCc1ccc2sccc2c1)c1ccc(O)cc1[O-] ZINC000436702828 534667187 /nfs/dbraw/zinc/66/71/87/534667187.db2.gz JQZSVJIGYKBRJU-UHFFFAOYSA-N -1 3 299.351 3.243 20 0 CGADHM COCCCCC(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000081458941 523103112 /nfs/dbraw/zinc/10/31/12/523103112.db2.gz YBWHMKSFOHQBNF-UHFFFAOYSA-N -1 3 291.269 3.166 20 0 CGADHM CO[N-]C(=O)CCCc1cc(Cl)sc1Cl ZINC000087059912 523302967 /nfs/dbraw/zinc/30/29/67/523302967.db2.gz WUFLDDODSWRKGH-UHFFFAOYSA-N -1 3 268.165 3.055 20 0 CGADHM CO[C@@H]1CCCC[C@@H]1NCc1cccc([O-])c1Cl ZINC000293495948 523569822 /nfs/dbraw/zinc/56/98/22/523569822.db2.gz GVSZAOBFWBZHJG-WCQYABFASA-N -1 3 269.772 3.093 20 0 CGADHM CCc1ccc(CN[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000050507961 523946450 /nfs/dbraw/zinc/94/64/50/523946450.db2.gz MBUYTVFGFMTAPR-INIZCTEOSA-N -1 3 269.344 3.165 20 0 CGADHM O=C(CC(F)(F)F)[N-][C@H](C1CCCC1)C(F)(F)F ZINC000177630593 534815170 /nfs/dbraw/zinc/81/51/70/534815170.db2.gz KYYRGVUIIQUUGF-MRVPVSSYSA-N -1 3 277.208 3.176 20 0 CGADHM O=C([N-]c1ccc(F)cn1)c1c(F)c(F)cc(F)c1F ZINC000177550421 534831419 /nfs/dbraw/zinc/83/14/19/534831419.db2.gz YFRQABCUSJSJFT-UHFFFAOYSA-N -1 3 288.175 3.029 20 0 CGADHM O=S(=O)(CCCCF)[N-]c1ccccc1C(F)F ZINC000424088258 534859486 /nfs/dbraw/zinc/85/94/86/534859486.db2.gz TVGNRYZLQXAEAK-UHFFFAOYSA-N -1 3 281.299 3.116 20 0 CGADHM CC(C)(C)[C@@H]1CCC[C@H]1NC(=O)c1cccc([O-])c1 ZINC000413989651 526667298 /nfs/dbraw/zinc/66/72/98/526667298.db2.gz MOPKLEYHOIQMJV-ZIAGYGMSSA-N -1 3 261.365 3.337 20 0 CGADHM CC(C)(C)c1csc(CNC(=O)c2ccccc2[O-])n1 ZINC000436716498 526834437 /nfs/dbraw/zinc/83/44/37/526834437.db2.gz BJENNUFGUSFTAR-UHFFFAOYSA-N -1 3 290.388 3.076 20 0 CGADHM O=C(Nc1cc(Cc2ccccc2)ccc1[O-])[C@H]1CCCO1 ZINC000081459847 527108181 /nfs/dbraw/zinc/10/81/81/527108181.db2.gz WRRWVBPCIUNGST-QGZVFWFLSA-N -1 3 297.354 3.101 20 0 CGADHM CC(C)(C)CCCCNC(=O)c1ccc(O)cc1[O-] ZINC000436710361 527661298 /nfs/dbraw/zinc/66/12/98/527661298.db2.gz SMWSDHIPJOQWKK-UHFFFAOYSA-N -1 3 265.353 3.044 20 0 CGADHM CC(C)(C)C[C@@H](NCc1ccc(F)cc1Cl)C(=O)[O-] ZINC000426801101 527694194 /nfs/dbraw/zinc/69/41/94/527694194.db2.gz RYEVDFDOHGTOSQ-GFCCVEGCSA-N -1 3 287.762 3.458 20 0 CGADHM CCCCn1nccc1NC(=O)c1cc(CC)ccc1[O-] ZINC000436536395 527717750 /nfs/dbraw/zinc/71/77/50/527717750.db2.gz BKURUZWRUFYNTD-UHFFFAOYSA-N -1 3 287.363 3.204 20 0 CGADHM CC(C)c1ccc(C(=O)NC(C)(C)C(C)(C)CO)c([O-])c1 ZINC000436710937 528067073 /nfs/dbraw/zinc/06/70/73/528067073.db2.gz BGIBSPMNEBXZPG-UHFFFAOYSA-N -1 3 293.407 3.043 20 0 CGADHM CC(C)Oc1ccc(-c2nc(-c3ccc([O-])cc3)no2)cn1 ZINC000436773698 528127620 /nfs/dbraw/zinc/12/76/20/528127620.db2.gz SVARZCXVEQGZDJ-UHFFFAOYSA-N -1 3 297.314 3.291 20 0 CGADHM CCCCC[C@@H]1CCCN1C(=O)c1csc(=NCC)[n-]1 ZINC000427120736 528259888 /nfs/dbraw/zinc/25/98/88/528259888.db2.gz URWBESGPQBTCAJ-GFCCVEGCSA-N -1 3 295.452 3.182 20 0 CGADHM CC(C)[C@@H](C(=O)[O-])[C@@H](C)NCc1csc(C(C)(C)C)n1 ZINC000424620192 528377365 /nfs/dbraw/zinc/37/73/65/528377365.db2.gz MONOSVVJOMMAJO-ZYHUDNBSSA-N -1 3 298.452 3.276 20 0 CGADHM CCCCOc1ccc(C(=O)N2CC[C@@](C)(F)C2)c([O-])c1 ZINC000436976067 528660965 /nfs/dbraw/zinc/66/09/65/528660965.db2.gz AJSNQRHDLIBHPQ-MRXNPFEDSA-N -1 3 295.354 3.145 20 0 CGADHM CCC[C@@H](C(=O)Nc1ccc([O-])cc1F)c1ccccn1 ZINC000355933065 528848106 /nfs/dbraw/zinc/84/81/06/528848106.db2.gz SWTWTQQQNSHOGF-GFCCVEGCSA-N -1 3 288.322 3.449 20 0 CGADHM CCC[C@@H](NC(=O)c1ccc(O)cc1[O-])c1ccccc1 ZINC000436763642 528991367 /nfs/dbraw/zinc/99/13/67/528991367.db2.gz LXNFATBVWSYREQ-OAHLLOKOSA-N -1 3 285.343 3.369 20 0 CGADHM CCN(C(=O)c1ccc([O-])c(C)c1)c1ccccc1OC ZINC000436929106 529084823 /nfs/dbraw/zinc/08/48/23/529084823.db2.gz YALJTDVYIWGGMM-UHFFFAOYSA-N -1 3 285.343 3.376 20 0 CGADHM CCSCC[C@@H](C)NC(=O)c1ccc([O-])c(CC)c1 ZINC000436698056 529188024 /nfs/dbraw/zinc/18/80/24/529188024.db2.gz LLIRKGQXBISOQZ-LLVKDONJSA-N -1 3 281.421 3.216 20 0 CGADHM CCS[C@H]1CCCCN(C(=O)c2ccc([O-])c(C)c2)C1 ZINC000436898851 529225431 /nfs/dbraw/zinc/22/54/31/529225431.db2.gz AMAZFTLXDRPFTB-AWEZNQCLSA-N -1 3 293.432 3.448 20 0 CGADHM CC[C@H](C)[C@@H](OC)c1nc(-c2ccc([O-])cc2)no1 ZINC000436869439 529227737 /nfs/dbraw/zinc/22/77/37/529227737.db2.gz LGGHKAHHEZUPKX-JOYOIKCWSA-N -1 3 262.309 3.176 20 0 CGADHM CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccccc1[O-] ZINC000175008620 529248339 /nfs/dbraw/zinc/24/83/39/529248339.db2.gz WEKRMDASWBDWNO-OAHLLOKOSA-N -1 3 285.343 3.497 20 0 CGADHM CC[C@H](CC1CCCC1)C(=O)Nc1ncccc1[O-] ZINC000358844229 529321143 /nfs/dbraw/zinc/32/11/43/529321143.db2.gz CXEURYLPPPLEAT-GFCCVEGCSA-N -1 3 262.353 3.332 20 0 CGADHM CC[C@@H]1CCN(C(=O)c2cc3c(cc2[O-])CCCC3)C1 ZINC000436581349 529326274 /nfs/dbraw/zinc/32/62/74/529326274.db2.gz FKUYCLSYQYPAAT-GFCCVEGCSA-N -1 3 273.376 3.143 20 0 CGADHM CC[C@@H](C)N(C)C(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC000412171200 529340178 /nfs/dbraw/zinc/34/01/78/529340178.db2.gz DNMAAPAMDVDATF-SECBINFHSA-N -1 3 292.766 3.052 20 0 CGADHM CC(C)c1scnc1NC(=O)Cc1ccc([O-])c(F)c1 ZINC000517586368 535040996 /nfs/dbraw/zinc/04/09/96/535040996.db2.gz OTWJIAVMVNHNOD-UHFFFAOYSA-N -1 3 294.351 3.292 20 0 CGADHM CC1(C)CN(C(=O)Cc2ccc([O-])c(F)c2)CC(C)(C)C1 ZINC000450663753 535336212 /nfs/dbraw/zinc/33/62/12/535336212.db2.gz MINDTBUADSOZGI-UHFFFAOYSA-N -1 3 293.382 3.359 20 0 CGADHM CCc1cc(C(=O)N2C[C@@H](C3CC3)[C@H]2C2CC2)ccc1[O-] ZINC000456257183 536115718 /nfs/dbraw/zinc/11/57/18/536115718.db2.gz QIIPBFQGUOFKKZ-DOTOQJQBSA-N -1 3 285.387 3.215 20 0 CGADHM CC[C@H](C)CC(=O)N=c1cc(-c2ccccc2C)[n-][nH]1 ZINC000480624284 536117585 /nfs/dbraw/zinc/11/75/85/536117585.db2.gz JVWDXEHJOONTEC-NSHDSACASA-N -1 3 271.364 3.182 20 0 CGADHM CCCC[C@@H]1CCC[C@@H]1[N-]C(=O)C(F)(F)C(F)F ZINC000749372529 572994145 /nfs/dbraw/zinc/99/41/45/572994145.db2.gz HUBKVLVMPWPCMX-BDAKNGLRSA-N -1 3 269.282 3.362 20 0 CGADHM COc1ccc(NC(=O)[C@@H]2CC[C@H](C)[C@@H](C)C2)c([O-])c1 ZINC000451030692 571717741 /nfs/dbraw/zinc/71/77/41/571717741.db2.gz YFBUVVZIBBLNOG-SDDRHHMPSA-N -1 3 277.364 3.412 20 0 CGADHM Cc1cc(C(=O)NCC2C(C)(C)C2(C)C)ccc1[O-] ZINC000232385883 571677140 /nfs/dbraw/zinc/67/71/40/571677140.db2.gz MGBTYHYHMLQSHL-UHFFFAOYSA-N -1 3 261.365 3.113 20 0 CGADHM Cc1cc([N-]C(=O)[C@H](C)OC(=O)CCCC(C)(C)C)on1 ZINC000729027880 571862379 /nfs/dbraw/zinc/86/23/79/571862379.db2.gz NSQVWLHXYCFMCH-NSHDSACASA-N -1 3 296.367 3.070 20 0 CGADHM Cc1ccc(-c2cc(C(=O)OC[C@H]3CCCS3)n[n-]2)o1 ZINC000745957767 571950117 /nfs/dbraw/zinc/95/01/17/571950117.db2.gz GMTNRQMTEPVVET-SNVBAGLBSA-N -1 3 292.360 3.031 20 0 CGADHM Cc1ccc(-c2cc(C(=O)OC[C@H]3CCCS3)[n-]n2)o1 ZINC000745957767 571950114 /nfs/dbraw/zinc/95/01/14/571950114.db2.gz GMTNRQMTEPVVET-SNVBAGLBSA-N -1 3 292.360 3.031 20 0 CGADHM Cc1ccccc1N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737435149 572342841 /nfs/dbraw/zinc/34/28/41/572342841.db2.gz HSNUMCBOIGDTQY-LBPRGKRZSA-N -1 3 279.347 3.348 20 0 CGADHM Cc1ccccc1N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737435149 572342842 /nfs/dbraw/zinc/34/28/42/572342842.db2.gz HSNUMCBOIGDTQY-LBPRGKRZSA-N -1 3 279.347 3.348 20 0 CGADHM CN(CCc1ccc(Cl)cc1)Cc1occc1C(=O)[O-] ZINC000737447085 572343514 /nfs/dbraw/zinc/34/35/14/572343514.db2.gz JJLKZLYXGANRIR-UHFFFAOYSA-N -1 3 293.750 3.306 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])c1coc(C2CCC2)n1 ZINC000192826773 572359023 /nfs/dbraw/zinc/35/90/23/572359023.db2.gz BPIFBJIQHPKDEZ-UHFFFAOYSA-N -1 3 276.267 3.039 20 0 CGADHM Cc1ccc(N(C)C(=O)c2cc(-c3ccco3)[n-]n2)cc1 ZINC000725741603 572385291 /nfs/dbraw/zinc/38/52/91/572385291.db2.gz WSQQMXWJQYGKBA-UHFFFAOYSA-N -1 3 281.315 3.255 20 0 CGADHM Cc1ccc(N(C)C(=O)c2cc(-c3ccco3)n[n-]2)cc1 ZINC000725741603 572385295 /nfs/dbraw/zinc/38/52/95/572385295.db2.gz WSQQMXWJQYGKBA-UHFFFAOYSA-N -1 3 281.315 3.255 20 0 CGADHM C[C@H](NCC1CCN(C(=O)[O-])CC1)c1ccc(F)cc1F ZINC000739037233 572415477 /nfs/dbraw/zinc/41/54/77/572415477.db2.gz WQTHTAOHSFJAEM-JTQLQIEISA-N -1 3 298.333 3.005 20 0 CGADHM Cc1ccc(C(=O)Nc2ccc(N(C)C)cc2)c([O-])c1C ZINC000731605335 572419093 /nfs/dbraw/zinc/41/90/93/572419093.db2.gz JUBBIVLLCDOKLB-UHFFFAOYSA-N -1 3 284.359 3.327 20 0 CGADHM O=C([O-])c1cccc(CNC2(c3ccc(F)cc3)CC2)c1 ZINC000740220032 572436882 /nfs/dbraw/zinc/43/68/82/572436882.db2.gz DAQMWUKTFGRCBC-UHFFFAOYSA-N -1 3 285.318 3.303 20 0 CGADHM CCCCC1CCC([N-]C(=O)C(F)(F)F)CC1 ZINC000725890968 572482117 /nfs/dbraw/zinc/48/21/17/572482117.db2.gz KLISPFZKPOUOTP-UHFFFAOYSA-N -1 3 251.292 3.414 20 0 CGADHM Cc1oc(-c2cccs2)nc1CO[N-]C(=O)C(C)(C)C ZINC000732806051 572485253 /nfs/dbraw/zinc/48/52/53/572485253.db2.gz RICYHTJITQIWTG-UHFFFAOYSA-N -1 3 294.376 3.305 20 0 CGADHM Fc1ccc(CSCc2ccco2)c(-c2nnn[n-]2)c1 ZINC000737651537 572487703 /nfs/dbraw/zinc/48/77/03/572487703.db2.gz XRYDNVCIJYHSDM-UHFFFAOYSA-N -1 3 290.323 3.032 20 0 CGADHM Fc1ccc(CSCc2ccco2)c(-c2nn[n-]n2)c1 ZINC000737651537 572487708 /nfs/dbraw/zinc/48/77/08/572487708.db2.gz XRYDNVCIJYHSDM-UHFFFAOYSA-N -1 3 290.323 3.032 20 0 CGADHM Cc1ccc(-c2noc(-c3cc(C)ccc3[O-])n2)o1 ZINC000518957261 572520634 /nfs/dbraw/zinc/52/06/34/572520634.db2.gz SACFHDOQIRHPAV-UHFFFAOYSA-N -1 3 256.261 3.319 20 0 CGADHM CCn1c(=O)[n-]nc1SCc1ccc(OC(C)C)cc1 ZINC000726430495 572576817 /nfs/dbraw/zinc/57/68/17/572576817.db2.gz UDCOPWSQRPROAI-UHFFFAOYSA-N -1 3 293.392 3.083 20 0 CGADHM C[C@H](OC(=O)c1cc(-c2cccs2)[n-]n1)c1cccnc1 ZINC000733451278 572577715 /nfs/dbraw/zinc/57/77/15/572577715.db2.gz ZTLSKUMCKDFXBG-JTQLQIEISA-N -1 3 299.355 3.451 20 0 CGADHM C[C@H](OC(=O)c1cc(-c2cccs2)n[n-]1)c1cccnc1 ZINC000733451278 572577717 /nfs/dbraw/zinc/57/77/17/572577717.db2.gz ZTLSKUMCKDFXBG-JTQLQIEISA-N -1 3 299.355 3.451 20 0 CGADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)CC(C)C)c2)n1 ZINC000744219417 572725705 /nfs/dbraw/zinc/72/57/05/572725705.db2.gz RNOITUBUKQEWDM-UHFFFAOYSA-N -1 3 286.331 3.109 20 0 CGADHM CC(C)C[C@@H](C)Oc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735761390 572740555 /nfs/dbraw/zinc/74/05/55/572740555.db2.gz NPBUKAQNISRJGD-SECBINFHSA-N -1 3 280.759 3.334 20 0 CGADHM CC(C)C[C@@H](C)Oc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735761390 572740556 /nfs/dbraw/zinc/74/05/56/572740556.db2.gz NPBUKAQNISRJGD-SECBINFHSA-N -1 3 280.759 3.334 20 0 CGADHM CCc1ccc(C=Cc2ccc(-c3nnn[n-]3)cn2)s1 ZINC000736683434 572804634 /nfs/dbraw/zinc/80/46/34/572804634.db2.gz QYIPQISZDBLXJU-WAYWQWQTSA-N -1 3 283.360 3.056 20 0 CGADHM CCc1ccc(C=Cc2ccc(-c3nn[n-]n3)cn2)s1 ZINC000736683434 572804640 /nfs/dbraw/zinc/80/46/40/572804640.db2.gz QYIPQISZDBLXJU-WAYWQWQTSA-N -1 3 283.360 3.056 20 0 CGADHM CCc1ccc(COc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736691644 572805499 /nfs/dbraw/zinc/80/54/99/572805499.db2.gz OCEPOOOMZVOEJA-UHFFFAOYSA-N -1 3 280.331 3.008 20 0 CGADHM CCc1ccc(COc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736691644 572805502 /nfs/dbraw/zinc/80/55/02/572805502.db2.gz OCEPOOOMZVOEJA-UHFFFAOYSA-N -1 3 280.331 3.008 20 0 CGADHM Cc1ccc(CNCc2cccc(C(=O)[O-])c2)cc1C ZINC000258960047 572841346 /nfs/dbraw/zinc/84/13/46/572841346.db2.gz VUAYCDRYUMUUIM-UHFFFAOYSA-N -1 3 269.344 3.291 20 0 CGADHM CCCCn1c(=O)[n-]nc1SC/C(Cl)=C/Cl ZINC000746141937 572856368 /nfs/dbraw/zinc/85/63/68/572856368.db2.gz NXOLZHOEHMQGNE-ALCCZGGFSA-N -1 3 282.196 3.195 20 0 CGADHM CC1(C)C(C(=O)Nc2n[n-]c(-c3cccs3)n2)C1(C)C ZINC000746213646 572861141 /nfs/dbraw/zinc/86/11/41/572861141.db2.gz QZAWZKAKEKVBKX-UHFFFAOYSA-N -1 3 290.392 3.154 20 0 CGADHM Cc1cc(C)cc(COc2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC000737250014 572867897 /nfs/dbraw/zinc/86/78/97/572867897.db2.gz HAMCETKMXHYTJZ-UHFFFAOYSA-N -1 3 298.321 3.202 20 0 CGADHM Cc1cc(C)cc(COc2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC000737250014 572867899 /nfs/dbraw/zinc/86/78/99/572867899.db2.gz HAMCETKMXHYTJZ-UHFFFAOYSA-N -1 3 298.321 3.202 20 0 CGADHM CCCc1nc(COC(=O)c2ccc(F)cc2[O-])cs1 ZINC000750147110 573094148 /nfs/dbraw/zinc/09/41/48/573094148.db2.gz SPLLNAZYENKNRD-UHFFFAOYSA-N -1 3 295.335 3.297 20 0 CGADHM CCN(CC)C(=S)Sc1nc2ccccc2c(=O)[n-]1 ZINC000750530905 573145812 /nfs/dbraw/zinc/14/58/12/573145812.db2.gz SYEAPEZEJGUATD-UHFFFAOYSA-N -1 3 293.417 3.054 20 0 CGADHM c1cc(-c2nn[n-]n2)ccc1N[C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000823742967 599056069 /nfs/dbraw/zinc/05/60/69/599056069.db2.gz OMHGFNYNFWOFNW-UXIGCNINSA-N -1 3 283.379 3.247 20 0 CGADHM CC[C@@](C)(CC(=O)[O-])NCc1c(F)cccc1Cl ZINC000828665558 601555994 /nfs/dbraw/zinc/55/59/94/601555994.db2.gz UPCPXNQQFNRNSC-ZDUSSCGKSA-N -1 3 273.735 3.212 20 0 CGADHM C[C@@H](Nc1ccc(F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820455393 599363282 /nfs/dbraw/zinc/36/32/82/599363282.db2.gz ICPAIRDPDNHGCS-SNVBAGLBSA-N -1 3 283.310 3.179 20 0 CGADHM C[C@@H](Nc1ccc(F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820455393 599363285 /nfs/dbraw/zinc/36/32/85/599363285.db2.gz ICPAIRDPDNHGCS-SNVBAGLBSA-N -1 3 283.310 3.179 20 0 CGADHM Cc1ccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000822254392 599363829 /nfs/dbraw/zinc/36/38/29/599363829.db2.gz INYMGLZRCLWOGD-NSHDSACASA-N -1 3 297.337 3.487 20 0 CGADHM Cc1ccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1F ZINC000822254392 599363826 /nfs/dbraw/zinc/36/38/26/599363826.db2.gz INYMGLZRCLWOGD-NSHDSACASA-N -1 3 297.337 3.487 20 0 CGADHM O=C([O-])c1cccc(CN[C@@H]2CSCc3ccccc32)c1 ZINC000821551363 598192271 /nfs/dbraw/zinc/19/22/71/598192271.db2.gz HNWNCRLOBUWKKC-MRXNPFEDSA-N -1 3 299.395 3.463 20 0 CGADHM C[C@H](NCc1cccc(C(=O)[O-])c1)c1ccc2c(c1)COC2 ZINC000820147732 598192526 /nfs/dbraw/zinc/19/25/26/598192526.db2.gz BVKXMMMGBXUERQ-LBPRGKRZSA-N -1 3 297.354 3.266 20 0 CGADHM Cc1cccc2c1OCC[C@@H]2NCc1cccc(C(=O)[O-])c1 ZINC000821120181 598192646 /nfs/dbraw/zinc/19/26/46/598192646.db2.gz QHRXILBZRUCRGH-INIZCTEOSA-N -1 3 297.354 3.307 20 0 CGADHM C[C@H](c1nc2ccccc2o1)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000820199997 598205548 /nfs/dbraw/zinc/20/55/48/598205548.db2.gz SBOKVWDGMYIFBI-NEPJUHHUSA-N -1 3 288.347 3.076 20 0 CGADHM Cc1ccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822254124 599363503 /nfs/dbraw/zinc/36/35/03/599363503.db2.gz AQZOZWZEBUWDLH-LBPRGKRZSA-N -1 3 279.347 3.348 20 0 CGADHM Cc1ccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822254124 599363504 /nfs/dbraw/zinc/36/35/04/599363504.db2.gz AQZOZWZEBUWDLH-LBPRGKRZSA-N -1 3 279.347 3.348 20 0 CGADHM C[C@@H](CNc1ccc(F)cc1-c1nnn[n-]1)C(C)(C)C ZINC000820281518 599559501 /nfs/dbraw/zinc/55/95/01/599559501.db2.gz VTNUFKKUPWSZBN-VIFPVBQESA-N -1 3 277.347 3.100 20 0 CGADHM C[C@@H](CNc1ccc(F)cc1-c1nn[n-]n1)C(C)(C)C ZINC000820281518 599559503 /nfs/dbraw/zinc/55/95/03/599559503.db2.gz VTNUFKKUPWSZBN-VIFPVBQESA-N -1 3 277.347 3.100 20 0 CGADHM O=C([O-])c1ccc(CN2CCC[C@H]2c2ccco2)cc1 ZINC000263484976 600215397 /nfs/dbraw/zinc/21/53/97/600215397.db2.gz PBZQSPVHCZCCOR-AWEZNQCLSA-N -1 3 271.316 3.315 20 0 CGADHM O=C([O-])[C@@H](N[C@H]1CCc2ccccc21)c1ccccc1F ZINC000833167728 600734959 /nfs/dbraw/zinc/73/49/59/600734959.db2.gz PRNPWHKKNUTGAA-HOTGVXAUSA-N -1 3 285.318 3.229 20 0 CGADHM O=C([O-])[C@H](c1ccccc1F)N1CCc2ccccc2C1 ZINC000212255131 600981182 /nfs/dbraw/zinc/98/11/82/600981182.db2.gz RLVBABYKPNKYBY-INIZCTEOSA-N -1 3 285.318 3.010 20 0 CGADHM C/C(=C/CNC1(c2cccc(C(F)(F)F)c2)CC1)C(=O)[O-] ZINC000825747810 601163620 /nfs/dbraw/zinc/16/36/20/601163620.db2.gz ZBXSGTGQPKQQTB-YHYXMXQVSA-N -1 3 299.292 3.315 20 0 CGADHM Cc1oc(CN(C)[C@H](C)Cc2ccsc2)cc1C(=O)[O-] ZINC000833025094 601450089 /nfs/dbraw/zinc/45/00/89/601450089.db2.gz ANZCLBCIUGPTOZ-SNVBAGLBSA-N -1 3 293.388 3.411 20 0 CGADHM C[C@H](CSc1ccc(-c2nnn[n-]2)cc1)C(F)(F)F ZINC000824447683 607657780 /nfs/dbraw/zinc/65/77/80/607657780.db2.gz ARXFVRKYXHWBNQ-SSDOTTSWSA-N -1 3 288.298 3.157 20 0 CGADHM C[C@H](CSc1ccc(-c2nn[n-]n2)cc1)C(F)(F)F ZINC000824447683 607657781 /nfs/dbraw/zinc/65/77/81/607657781.db2.gz ARXFVRKYXHWBNQ-SSDOTTSWSA-N -1 3 288.298 3.157 20 0 CGADHM CC(C)C[C@H](NC[C@@H](NC(=O)[O-])C(C)C)c1ccccn1 ZINC000824218182 604333115 /nfs/dbraw/zinc/33/31/15/604333115.db2.gz LGABTBRHSFXOCQ-LSDHHAIUSA-N -1 3 293.411 3.051 20 0 CGADHM Cc1cc(CN2Cc3ccccc3C[C@H]2C(=O)[O-])ccc1F ZINC000316444688 604465489 /nfs/dbraw/zinc/46/54/89/604465489.db2.gz FNPJXLTZRIKSOJ-KRWDZBQOSA-N -1 3 299.345 3.146 20 0 CGADHM C[C@@H](c1cccc(O)c1)N(C)Cc1ccccc1C(=O)[O-] ZINC000833547669 604639301 /nfs/dbraw/zinc/63/93/01/604639301.db2.gz FDWWVJRAFNLFLL-LBPRGKRZSA-N -1 3 285.343 3.283 20 0 CGADHM Cc1cc(C)cc([C@H](C)N[C@H](C(=O)[O-])c2cccnc2)c1 ZINC000832874566 605001124 /nfs/dbraw/zinc/00/11/24/605001124.db2.gz JLNGIONGIJGERV-BBRMVZONSA-N -1 3 284.359 3.175 20 0 CGADHM C[C@@H](NCc1ccsc1C(=O)[O-])c1ccccc1 ZINC000232424450 605123035 /nfs/dbraw/zinc/12/30/35/605123035.db2.gz WINZAPCOTZTDMP-SNVBAGLBSA-N -1 3 261.346 3.297 20 0 CGADHM C/C(=C\CN[C@H](C)c1ccc(F)cc1Cl)C(=O)[O-] ZINC000833383149 605141240 /nfs/dbraw/zinc/14/12/40/605141240.db2.gz KNCZSQCIXDJVBA-WHXYTISESA-N -1 3 271.719 3.161 20 0 CGADHM C/C(=C\CN[C@@H](C)c1ccccc1Cl)C(=O)[O-] ZINC000310073435 605204099 /nfs/dbraw/zinc/20/40/99/605204099.db2.gz TXHPHWHZBVWAJI-PCYYEKQGSA-N -1 3 253.729 3.022 20 0 CGADHM CN(Cc1ccc(Cl)o1)C1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000833874751 605547203 /nfs/dbraw/zinc/54/72/03/605547203.db2.gz YHCQJIRIPOKJTP-ZACCUICWSA-N -1 3 298.770 3.038 20 0 CGADHM C[C@@H](c1ccc(F)c(F)c1)N1C[C@@H](CNC(=O)[O-])C[C@H]1C ZINC000833833001 605888343 /nfs/dbraw/zinc/88/83/43/605888343.db2.gz WAYACAPNPZOOGP-OUAUKWLOSA-N -1 3 298.333 3.004 20 0 CGADHM Cc1ccc(C)c(NCc2ccccc2-c2nnn[n-]2)c1 ZINC000822231695 606608087 /nfs/dbraw/zinc/60/80/87/606608087.db2.gz DERDEWYGKMJZAR-UHFFFAOYSA-N -1 3 279.347 3.096 20 0 CGADHM Cc1ccc(C)c(NCc2ccccc2-c2nn[n-]n2)c1 ZINC000822231695 606608089 /nfs/dbraw/zinc/60/80/89/606608089.db2.gz DERDEWYGKMJZAR-UHFFFAOYSA-N -1 3 279.347 3.096 20 0 CGADHM Cc1ccc(NCc2cccc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000822259165 606637136 /nfs/dbraw/zinc/63/71/36/606637136.db2.gz OEDWINIYGHQRFP-UHFFFAOYSA-N -1 3 299.765 3.441 20 0 CGADHM Cc1ccc(NCc2cccc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000822259165 606637137 /nfs/dbraw/zinc/63/71/37/606637137.db2.gz OEDWINIYGHQRFP-UHFFFAOYSA-N -1 3 299.765 3.441 20 0 CGADHM CCc1ccc(NCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821486289 606642519 /nfs/dbraw/zinc/64/25/19/606642519.db2.gz BMCLHEAWCNBDRD-UHFFFAOYSA-N -1 3 279.347 3.041 20 0 CGADHM CCc1ccc(NCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821486289 606642520 /nfs/dbraw/zinc/64/25/20/606642520.db2.gz BMCLHEAWCNBDRD-UHFFFAOYSA-N -1 3 279.347 3.041 20 0 CGADHM CCc1cccc(NCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000821492891 606655679 /nfs/dbraw/zinc/65/56/79/606655679.db2.gz YJVUAGALBUVYLW-UHFFFAOYSA-N -1 3 279.347 3.041 20 0 CGADHM CCc1cccc(NCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000821492891 606655680 /nfs/dbraw/zinc/65/56/80/606655680.db2.gz YJVUAGALBUVYLW-UHFFFAOYSA-N -1 3 279.347 3.041 20 0 CGADHM CSc1ccccc1NCc1cccc(-c2nnn[n-]2)c1 ZINC000821988814 606658560 /nfs/dbraw/zinc/65/85/60/606658560.db2.gz HIFJXQAMBIMIBO-UHFFFAOYSA-N -1 3 297.387 3.201 20 0 CGADHM CSc1ccccc1NCc1cccc(-c2nn[n-]n2)c1 ZINC000821988814 606658561 /nfs/dbraw/zinc/65/85/61/606658561.db2.gz HIFJXQAMBIMIBO-UHFFFAOYSA-N -1 3 297.387 3.201 20 0 CGADHM CC(C)[C@@H]1CCN(c2cc(Cl)ccc2-c2nnn[n-]2)C1 ZINC000820046209 606725626 /nfs/dbraw/zinc/72/56/26/606725626.db2.gz PXCPUQSBMSBAEE-SNVBAGLBSA-N -1 3 291.786 3.002 20 0 CGADHM CC(C)[C@@H]1CCN(c2cc(Cl)ccc2-c2nn[n-]n2)C1 ZINC000820046209 606725627 /nfs/dbraw/zinc/72/56/27/606725627.db2.gz PXCPUQSBMSBAEE-SNVBAGLBSA-N -1 3 291.786 3.002 20 0 CGADHM Fc1ccc(CSc2cccs2)cc1-c1nnn[n-]1 ZINC000822773997 607008589 /nfs/dbraw/zinc/00/85/89/607008589.db2.gz DQBCQRATNTVYGF-UHFFFAOYSA-N -1 3 292.364 3.360 20 0 CGADHM Fc1ccc(CSc2cccs2)cc1-c1nn[n-]n1 ZINC000822773997 607008591 /nfs/dbraw/zinc/00/85/91/607008591.db2.gz DQBCQRATNTVYGF-UHFFFAOYSA-N -1 3 292.364 3.360 20 0 CGADHM C[C@H](Nc1ccc(C(F)(F)F)cc1-c1nnn[n-]1)C1CC1 ZINC000820456918 607172974 /nfs/dbraw/zinc/17/29/74/607172974.db2.gz XDWQQZLGWVQYRL-ZETCQYMHSA-N -1 3 297.284 3.096 20 0 CGADHM C[C@H](Nc1ccc(C(F)(F)F)cc1-c1nn[n-]n1)C1CC1 ZINC000820456918 607172975 /nfs/dbraw/zinc/17/29/75/607172975.db2.gz XDWQQZLGWVQYRL-ZETCQYMHSA-N -1 3 297.284 3.096 20 0 CGADHM Cc1ccc(-c2nnn[n-]2)cc1NCc1ccc(F)c(C)c1 ZINC000826267207 609479472 /nfs/dbraw/zinc/47/94/72/609479472.db2.gz WGDZIJMOBTWMEZ-UHFFFAOYSA-N -1 3 297.337 3.235 20 0 CGADHM Cc1ccc(-c2nn[n-]n2)cc1NCc1ccc(F)c(C)c1 ZINC000826267207 609479475 /nfs/dbraw/zinc/47/94/75/609479475.db2.gz WGDZIJMOBTWMEZ-UHFFFAOYSA-N -1 3 297.337 3.235 20 0 CGADHM CS[C@@H](CNc1ccc(-c2nn[n-]n2)cc1)C(C)(C)C ZINC000826226140 609591584 /nfs/dbraw/zinc/59/15/84/609591584.db2.gz SPVKTAFUZKJGLH-LBPRGKRZSA-N -1 3 291.424 3.056 20 0 CGADHM CCCCOc1ccc(C(=O)N(C)CCCF)c([O-])c1 ZINC000899811605 620728710 /nfs/dbraw/zinc/72/87/10/620728710.db2.gz OCEGUAPIKPEKIA-UHFFFAOYSA-N -1 3 283.343 3.003 20 0 CGADHM O=c1cc(C=Cc2ccc(Cl)nc2)nc(C2CC2)[n-]1 ZINC000806564120 617740445 /nfs/dbraw/zinc/74/04/45/617740445.db2.gz JVILMGSWHBEBMC-KTAJNNJTSA-N -1 3 273.723 3.278 20 0 CGADHM CC(C)C[C@@](C)(CNCc1nc2ccccc2o1)C(=O)[O-] ZINC000900053314 620753664 /nfs/dbraw/zinc/75/36/64/620753664.db2.gz FHIUOTGKAHKWHZ-INIZCTEOSA-N -1 3 290.363 3.054 20 0 CGADHM O=C(OCC[C@@H]1CCCO1)c1cc(Cl)c(Cl)[n-]1 ZINC000177924736 618148430 /nfs/dbraw/zinc/14/84/30/618148430.db2.gz JBFPSBQGEWNPSE-ZETCQYMHSA-N -1 3 278.135 3.047 20 0 CGADHM [O-]c1ccc(CN2CCO[C@H](c3ccccc3)C2)cc1F ZINC000891562746 618239236 /nfs/dbraw/zinc/23/92/36/618239236.db2.gz RUHWXRGQYDRCLD-KRWDZBQOSA-N -1 3 287.334 3.105 20 0 CGADHM CC[C@@]1(C)CCCN(C(=O)c2c([O-])cccc2OC)C1 ZINC000900885068 620818210 /nfs/dbraw/zinc/81/82/10/620818210.db2.gz IPQHCFNRNQCHAC-INIZCTEOSA-N -1 3 277.364 3.053 20 0 CGADHM CSC(C)(C)CNC(=O)c1cc([O-])c2ccccc2c1 ZINC000280430148 618760877 /nfs/dbraw/zinc/76/08/77/618760877.db2.gz QAYJXURBQHECQF-UHFFFAOYSA-N -1 3 289.400 3.417 20 0 CGADHM Cc1ccc(CC(=O)[N-]OCc2ccc(F)c(F)c2)cc1 ZINC000177579577 618830100 /nfs/dbraw/zinc/83/01/00/618830100.db2.gz AUCWGQWAKFUFED-UHFFFAOYSA-N -1 3 291.297 3.064 20 0 CGADHM C[C@H](NCc1cc(C2CC2)no1)c1cc([O-])cc(F)c1 ZINC000926869239 618958014 /nfs/dbraw/zinc/95/80/14/618958014.db2.gz RJWAMISFBJIVNK-VIFPVBQESA-N -1 3 276.311 3.248 20 0 CGADHM Cc1[n-]n(-c2cc(F)c(F)cc2F)c(=O)c1C(C)C ZINC000112351407 618961805 /nfs/dbraw/zinc/96/18/05/618961805.db2.gz LHIXAONBVWADFC-LBPRGKRZSA-N -1 3 270.254 3.099 20 0 CGADHM O=C(OCCOC(F)F)c1cc2cc(Cl)sc2[n-]1 ZINC000853917630 619028238 /nfs/dbraw/zinc/02/82/38/619028238.db2.gz AOEKRRGBACSESR-UHFFFAOYSA-N -1 3 295.694 3.279 20 0 CGADHM CC[C@H](CC(=O)[N-]OCCC(F)(F)F)C(C)C ZINC000162855331 619220339 /nfs/dbraw/zinc/22/03/39/619220339.db2.gz LEFALYLFECWLOT-SECBINFHSA-N -1 3 255.280 3.059 20 0 CGADHM C[C@H](Cc1ccsc1)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC000314909533 619238525 /nfs/dbraw/zinc/23/85/25/619238525.db2.gz GHEFOATVSCAXGZ-RKDXNWHRSA-N -1 3 296.417 3.185 20 0 CGADHM N#CC(=C([O-])C=Cc1ccccc1F)c1ccccn1 ZINC000048540343 619507606 /nfs/dbraw/zinc/50/76/06/619507606.db2.gz LNEFHNLIHOZHHA-MMQHEFTJSA-N -1 3 266.275 3.110 20 0 CGADHM CCOc1cc(CN[C@H](C)C(F)F)cc(Cl)c1[O-] ZINC000895725934 619876351 /nfs/dbraw/zinc/87/63/51/619876351.db2.gz VTNUFXSJQWCFDG-SSDOTTSWSA-N -1 3 279.714 3.188 20 0 CGADHM C[C@@H]1C[C@H](NC(=O)c2cc3sccc3c([O-])c2)CS1 ZINC000840511023 619935042 /nfs/dbraw/zinc/93/50/42/619935042.db2.gz SJUUMARPMRRGCD-SCZZXKLOSA-N -1 3 293.413 3.231 20 0 CGADHM CCCCC[C@H](C)CC(=O)[N-]OCc1ccccn1 ZINC000909535805 620072318 /nfs/dbraw/zinc/07/23/18/620072318.db2.gz ODLWUJPCSFWYAT-ZDUSSCGKSA-N -1 3 264.369 3.236 20 0 CGADHM COCC1(c2noc(-c3cc4ccccc4cc3[O-])n2)CC1 ZINC000897044869 620125474 /nfs/dbraw/zinc/12/54/74/620125474.db2.gz DNBXTYZGULCVQL-UHFFFAOYSA-N -1 3 296.326 3.273 20 0 CGADHM C[C@H]1Cc2cc(NCc3ccc([O-])c(F)c3)ccc2O1 ZINC000897114382 620147943 /nfs/dbraw/zinc/14/79/43/620147943.db2.gz LOTDQGOZLWTPEC-JTQLQIEISA-N -1 3 273.307 3.467 20 0 CGADHM CCCCCC[C@H](C)C(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898216107 620488693 /nfs/dbraw/zinc/48/86/93/620488693.db2.gz NDZVUDPSSHQGTH-QWHCGFSZSA-N -1 3 293.411 3.038 20 0 CGADHM CC(C)(CC(=O)[N-]Oc1ccc(F)cc1)CC(F)F ZINC000898576857 620597309 /nfs/dbraw/zinc/59/73/09/620597309.db2.gz VJSNIODCKUCJHT-UHFFFAOYSA-N -1 3 275.270 3.307 20 0 CGADHM CCC(CC)(CC)C(=O)[N-]OCc1cccc(C)n1 ZINC000898934100 620610477 /nfs/dbraw/zinc/61/04/77/620610477.db2.gz KTXTXOCYMWMUAH-UHFFFAOYSA-N -1 3 264.369 3.154 20 0 CGADHM COCCO[C@H](C)c1nnc([N-][C@@H](C)c2cccs2)o1 ZINC000901408785 620877989 /nfs/dbraw/zinc/87/79/89/620877989.db2.gz GVARIHSENKTOOB-VHSXEESVSA-N -1 3 297.380 3.028 20 0 CGADHM CC(C)CN(CCC(=O)[O-])Cc1ncc(C(C)(C)C)s1 ZINC000901595237 620941467 /nfs/dbraw/zinc/94/14/67/620941467.db2.gz LPURJQJHBZGXMM-UHFFFAOYSA-N -1 3 298.452 3.373 20 0 CGADHM C[C@@H](CN(C)Cc1cnc(-c2cccs2)s1)C(=O)[O-] ZINC000901598503 620949043 /nfs/dbraw/zinc/94/90/43/620949043.db2.gz WQEHXBBGGKVOPC-VIFPVBQESA-N -1 3 296.417 3.024 20 0 CGADHM CC(C)(C)c1cnc(CNC2(CC(=O)[O-])CCCC2)s1 ZINC000901687461 620987752 /nfs/dbraw/zinc/98/77/52/620987752.db2.gz WFLPQGTUBKMNHX-UHFFFAOYSA-N -1 3 296.436 3.318 20 0 CGADHM CC(C)(C)c1cnc(CN[C@](C)(CC(=O)[O-])C2CC2)s1 ZINC000901949825 621074593 /nfs/dbraw/zinc/07/45/93/621074593.db2.gz JGEXCYUOFGBWCX-OAHLLOKOSA-N -1 3 296.436 3.174 20 0 CGADHM CC(C)(C)c1nc(CN[C@@](C)(CC(=O)[O-])C2CC2)cs1 ZINC000901950337 621075340 /nfs/dbraw/zinc/07/53/40/621075340.db2.gz LGOUWLLVOWEHBU-HNNXBMFYSA-N -1 3 296.436 3.174 20 0 CGADHM O=C([O-])c1coc(CNC2CC(c3ccc(F)cc3)C2)c1 ZINC000901955145 621079653 /nfs/dbraw/zinc/07/96/53/621079653.db2.gz VVTGDUXPLYQJNX-UHFFFAOYSA-N -1 3 289.306 3.153 20 0 CGADHM COC[C@H](N[C@@H](C)CCCC(C)(C)C(=O)[O-])c1ccco1 ZINC000902273636 621237307 /nfs/dbraw/zinc/23/73/07/621237307.db2.gz SLBAAKLTXTZWJS-STQMWFEESA-N -1 3 297.395 3.226 20 0 CGADHM CCc1cnc(CN[C@H](C)CC(C)(C)CC(=O)[O-])s1 ZINC000902342706 621254571 /nfs/dbraw/zinc/25/45/71/621254571.db2.gz QMFQYLATENETCQ-SNVBAGLBSA-N -1 3 284.425 3.075 20 0 CGADHM O=C([O-])c1cc(CN2CCCC3(CCCCC3)CC2)on1 ZINC000902326495 621263231 /nfs/dbraw/zinc/26/32/31/621263231.db2.gz UGTMURVFKYEDED-UHFFFAOYSA-N -1 3 292.379 3.309 20 0 CGADHM CC(C)[C@H](c1ccccc1)N(C)Cc1cc(C(=O)[O-])no1 ZINC000902517677 621359286 /nfs/dbraw/zinc/35/92/86/621359286.db2.gz WSKRBCUXROEXQT-OAHLLOKOSA-N -1 3 288.347 3.202 20 0 CGADHM CCc1oc(CN(C)[C@@H](CC)CSC)cc1C(=O)[O-] ZINC000902531353 621364314 /nfs/dbraw/zinc/36/43/14/621364314.db2.gz UKYFTMKLHPCDJG-JTQLQIEISA-N -1 3 285.409 3.114 20 0 CGADHM C[C@@H]1CCCN1Cc1ccc(C(=O)[O-])cc1C(F)(F)F ZINC000902532179 621365108 /nfs/dbraw/zinc/36/51/08/621365108.db2.gz YBFITXSFOLYBBB-SECBINFHSA-N -1 3 287.281 3.388 20 0 CGADHM Cc1oc(CN2C[C@@H]3C[C@]3(c3ccccc3)C2)cc1C(=O)[O-] ZINC000902549300 621372588 /nfs/dbraw/zinc/37/25/88/621372588.db2.gz KDYRHOUWWVHHDM-KBXCAEBGSA-N -1 3 297.354 3.060 20 0 CGADHM C[C@@H](N[C@@H](c1ncccn1)C1CC1)c1cccc([O-])c1F ZINC000903321838 621676448 /nfs/dbraw/zinc/67/64/48/621676448.db2.gz DVCXCXLDYYYQJD-MEBBXXQBSA-N -1 3 287.338 3.123 20 0 CGADHM O=C([O-])c1ccc(CN[C@H]2CCc3c2cccc3F)s1 ZINC000903676489 621787222 /nfs/dbraw/zinc/78/72/22/621787222.db2.gz BRGYGTNNAXFCCS-ZDUSSCGKSA-N -1 3 291.347 3.363 20 0 CGADHM C[C@@H]1CCN(Cc2cncc(C(=O)[O-])c2)[C@H]2CCCC[C@H]12 ZINC000903888295 621823519 /nfs/dbraw/zinc/82/35/19/621823519.db2.gz YFBWLEHZKGCISG-WQVCFCJDSA-N -1 3 288.391 3.180 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)CCCC(=O)c1ccccc1 ZINC000908353027 622344301 /nfs/dbraw/zinc/34/43/01/622344301.db2.gz OYKUNAXLHKKCFC-CYBMUJFWSA-N -1 3 277.364 3.134 20 0 CGADHM C[C@@H]1CCCCN1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000912143219 622610450 /nfs/dbraw/zinc/61/04/50/622610450.db2.gz FGQPFSRSAOHVCY-GFCCVEGCSA-N -1 3 284.359 3.065 20 0 CGADHM COc1cc(C)c(NCc2ccc([O-])c(F)c2)cc1OC ZINC000232421892 623386663 /nfs/dbraw/zinc/38/66/63/623386663.db2.gz QVIQEROXVZMGOU-UHFFFAOYSA-N -1 3 291.322 3.469 20 0 CGADHM [O-]c1ccc(CNc2ccc3n[nH]cc3c2)cc1F ZINC000232421808 623387034 /nfs/dbraw/zinc/38/70/34/623387034.db2.gz VMBXLDDMZSFHKP-UHFFFAOYSA-N -1 3 257.268 3.020 20 0 CGADHM CC(C)CCCCCCNCc1cc(C(=O)[O-])no1 ZINC000232537830 623398561 /nfs/dbraw/zinc/39/85/61/623398561.db2.gz DXDKBWZHLZMOGE-UHFFFAOYSA-N -1 3 268.357 3.069 20 0 CGADHM Cc1ccccc1CCC(=O)[N-]OCc1ccc(F)cc1 ZINC000184239971 625214711 /nfs/dbraw/zinc/21/47/11/625214711.db2.gz STHUQGFAKKBXAP-UHFFFAOYSA-N -1 3 287.334 3.315 20 0 CGADHM O=C([O-])c1ccc(CNC/C=C\c2ccc(F)cc2F)o1 ZINC000756284756 625854674 /nfs/dbraw/zinc/85/46/74/625854674.db2.gz CSIAREPVIHWTSC-UPHRSURJSA-N -1 3 293.269 3.059 20 0 CGADHM O=c1ccnc(C=Cc2ccc(C(F)(F)F)cc2)[n-]1 ZINC000742221508 626175300 /nfs/dbraw/zinc/17/53/00/626175300.db2.gz MNIDQLQTFICVSW-UTCJRWHESA-N -1 3 266.222 3.371 20 0 CGADHM CCOC1CC2(C[C@H]2C(=O)Nc2ccc(Cl)cc2[O-])C1 ZINC000867006133 626329558 /nfs/dbraw/zinc/32/95/58/626329558.db2.gz BGBIHVIJJDOPJD-VTWZXRTESA-N -1 3 295.766 3.189 20 0 CGADHM Cc1ccncc1COC(=O)c1cc(F)cc(Cl)c1[O-] ZINC000751735920 626402356 /nfs/dbraw/zinc/40/23/56/626402356.db2.gz YZLFSZYCNKQHHD-UHFFFAOYSA-N -1 3 295.697 3.245 20 0 CGADHM CC(=O)CCCCOC(=O)c1cc(F)cc(Cl)c1[O-] ZINC000751734563 626402382 /nfs/dbraw/zinc/40/23/82/626402382.db2.gz MGNIUNSCRMUKMA-UHFFFAOYSA-N -1 3 288.702 3.101 20 0 CGADHM O=C([O-])c1ccccc1CNCc1scnc1C1CC1 ZINC000874042630 634508023 /nfs/dbraw/zinc/50/80/23/634508023.db2.gz CMGBOLHNSPFWIN-UHFFFAOYSA-N -1 3 288.372 3.009 20 0 CGADHM O=c1ccnc(C=Cc2ccc(F)c(Cl)c2)[n-]1 ZINC000755600124 626629808 /nfs/dbraw/zinc/62/98/08/626629808.db2.gz FTQHUYISDOFYQS-RQOWECAXSA-N -1 3 250.660 3.145 20 0 CGADHM C/C(=C/c1ccccc1)CNCc1ccc(C(=O)[O-])c(C)n1 ZINC000756310238 626691066 /nfs/dbraw/zinc/69/10/66/626691066.db2.gz JNKBDDGPHIFUCV-RAXLEYEMSA-N -1 3 296.370 3.281 20 0 CGADHM O=C([N-]Cc1ccccc1)C(F)(F)c1c(F)cccc1F ZINC000756842803 626737125 /nfs/dbraw/zinc/73/71/25/626737125.db2.gz COUQVMBDSMBCHP-UHFFFAOYSA-N -1 3 297.251 3.373 20 0 CGADHM O=C([N-]Cc1ccc(F)cc1)C(F)(F)c1ccccc1F ZINC000759207903 626881540 /nfs/dbraw/zinc/88/15/40/626881540.db2.gz BGYUECKCLHNHLH-UHFFFAOYSA-N -1 3 297.251 3.373 20 0 CGADHM O=C(CCCc1ccc2ccccc2c1)[N-]OCC(F)F ZINC000759335888 626888437 /nfs/dbraw/zinc/88/84/37/626888437.db2.gz VJMKGUJQTKKSEU-UHFFFAOYSA-N -1 3 293.313 3.475 20 0 CGADHM Cc1ccc(CCCCC(=O)[N-]OCC(F)F)cc1 ZINC000759344028 626889787 /nfs/dbraw/zinc/88/97/87/626889787.db2.gz RMQAPTQZRMNESR-UHFFFAOYSA-N -1 3 271.307 3.021 20 0 CGADHM CC(C)(CCC(=O)[N-]OCC(F)F)c1ccccc1 ZINC000759352769 626890745 /nfs/dbraw/zinc/89/07/45/626890745.db2.gz WGSDAJWNBVSLFE-UHFFFAOYSA-N -1 3 271.307 3.057 20 0 CGADHM O=Cc1cc(C(=O)Nc2ccc(Cl)cc2[O-])cs1 ZINC000759695314 626915097 /nfs/dbraw/zinc/91/50/97/626915097.db2.gz CFEZOVYOFHOYOP-UHFFFAOYSA-N -1 3 281.720 3.172 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2cccc(C(C)(C)O)c2)c1 ZINC000760903897 627001311 /nfs/dbraw/zinc/00/13/11/627001311.db2.gz WAWGARMYMLQVNJ-UHFFFAOYSA-N -1 3 299.370 3.434 20 0 CGADHM Cc1ccc(CO[N-]C(=O)CCOc2ccccc2)cc1C ZINC000762211995 627101396 /nfs/dbraw/zinc/10/13/96/627101396.db2.gz NKIZYIICKQKOFJ-UHFFFAOYSA-N -1 3 299.370 3.320 20 0 CGADHM CCc1cc(=O)[n-]c(CSC[C@H]2CC2(Cl)Cl)n1 ZINC000763212772 627145523 /nfs/dbraw/zinc/14/55/23/627145523.db2.gz ZBQADVVITISFBY-SSDOTTSWSA-N -1 3 293.219 3.172 20 0 CGADHM COc1cccc(C=Cc2nccc(=O)[n-]2)c1OC(C)C ZINC000764433196 627207594 /nfs/dbraw/zinc/20/75/94/627207594.db2.gz DVRRQSWGTOKNON-BQYQJAHWSA-N -1 3 286.331 3.148 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-]CC2CCCCCCC2)o1 ZINC000773286623 627871405 /nfs/dbraw/zinc/87/14/05/627871405.db2.gz SNOAMQNCCPHSMT-UHFFFAOYSA-N -1 3 285.409 3.227 20 0 CGADHM C[C@@H](CC(=O)[N-]Oc1ccccc1)c1ccccc1 ZINC000773470205 627887807 /nfs/dbraw/zinc/88/78/07/627887807.db2.gz NRGBCOGDVPEDPF-ZDUSSCGKSA-N -1 3 255.317 3.290 20 0 CGADHM Cc1cnc([C@@H](C)OC(=O)c2cccc(Cl)c2[O-])o1 ZINC000775935290 628150995 /nfs/dbraw/zinc/15/09/95/628150995.db2.gz JTVQBAMWTJYLJP-MRVPVSSYSA-N -1 3 281.695 3.260 20 0 CGADHM O=C(CCOc1ccc(Cl)cc1)[N-]OC1CCCCC1 ZINC000777960939 628314722 /nfs/dbraw/zinc/31/47/22/628314722.db2.gz CPMLCFWJVVKDRM-UHFFFAOYSA-N -1 3 297.782 3.489 20 0 CGADHM C[C@H]1CC[C@@H](OC(=O)c2cc(-c3ccco3)[n-]n2)C1 ZINC000779257164 628397453 /nfs/dbraw/zinc/39/74/53/628397453.db2.gz BPCVXISWTJSXRQ-VHSXEESVSA-N -1 3 260.293 3.015 20 0 CGADHM C[C@H]1CC[C@@H](OC(=O)c2cc(-c3ccco3)n[n-]2)C1 ZINC000779257164 628397454 /nfs/dbraw/zinc/39/74/54/628397454.db2.gz BPCVXISWTJSXRQ-VHSXEESVSA-N -1 3 260.293 3.015 20 0 CGADHM Cc1cncc(COC(=O)c2cccc(Cl)c2[O-])c1 ZINC000785684922 628880339 /nfs/dbraw/zinc/88/03/39/628880339.db2.gz LVNZUYCBSNSQSF-UHFFFAOYSA-N -1 3 277.707 3.106 20 0 CGADHM O=C(OCc1ccc2c(c1)COC2)c1cc2occc2[n-]1 ZINC000786032191 628908896 /nfs/dbraw/zinc/90/88/96/628908896.db2.gz TXVBDHCOBUSIEN-UHFFFAOYSA-N -1 3 283.283 3.148 20 0 CGADHM O=C(Nc1cccc(CO)c1)c1cc2sccc2c([O-])c1 ZINC000791299403 629265587 /nfs/dbraw/zinc/26/55/87/629265587.db2.gz OWZKFIUHTAZCES-UHFFFAOYSA-N -1 3 299.351 3.352 20 0 CGADHM COC1(COC(=O)c2cc(Cl)c(Cl)[n-]2)CCCC1 ZINC000791314917 629266577 /nfs/dbraw/zinc/26/65/77/629266577.db2.gz KXSPPVAPWRGSHD-UHFFFAOYSA-N -1 3 292.162 3.438 20 0 CGADHM C[C@@H](C1CC1)N(C)C(=O)c1cc2sccc2c([O-])c1 ZINC000791325987 629267261 /nfs/dbraw/zinc/26/72/61/629267261.db2.gz WHRCJMIUAFUDBD-VIFPVBQESA-N -1 3 275.373 3.477 20 0 CGADHM O=C(N[C@H]1CCC(F)(F)C1)c1cc([O-])c2ccccc2c1 ZINC000792230823 629350657 /nfs/dbraw/zinc/35/06/57/629350657.db2.gz GAXCMKLBEMETPF-LBPRGKRZSA-N -1 3 291.297 3.463 20 0 CGADHM CC(C)(C)OC1CC(CC(=O)[N-]OC2CCCCC2)C1 ZINC000792606889 629370282 /nfs/dbraw/zinc/37/02/82/629370282.db2.gz LMQRZRJXVXJDKO-UHFFFAOYSA-N -1 3 283.412 3.351 20 0 CGADHM CC(C)c1ccc(OCCC(=O)[N-]OC/C=C/Cl)cc1 ZINC000794303522 629532155 /nfs/dbraw/zinc/53/21/55/629532155.db2.gz CTCURQDQPYTOJF-YCRREMRBSA-N -1 3 297.782 3.379 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)/C=C\c1nc2ccccc2s1 ZINC000794855323 629589559 /nfs/dbraw/zinc/58/95/59/629589559.db2.gz ZPHTXAFUKJNBKD-TYBABMIJSA-N -1 3 290.388 3.403 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)C[C@H]1CCc2ccccc2C1 ZINC000794864435 629591658 /nfs/dbraw/zinc/59/16/58/629591658.db2.gz LQSRQQRKUPUTHZ-KGLIPLIRSA-N -1 3 275.392 3.276 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)CCc1ccc(Cl)s1 ZINC000794875555 629593203 /nfs/dbraw/zinc/59/32/03/629593203.db2.gz NJHXZJHVOUZZDL-SECBINFHSA-N -1 3 275.801 3.428 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)Cc1c(F)cccc1Cl ZINC000794874500 629592999 /nfs/dbraw/zinc/59/29/99/629592999.db2.gz HKVYUBUGLYEOIC-VIFPVBQESA-N -1 3 273.735 3.116 20 0 CGADHM CC(F)(F)C(=O)[N-]Cc1ccccc1CC(F)(F)F ZINC000863523698 629597018 /nfs/dbraw/zinc/59/70/18/629597018.db2.gz SVEZGIKRYXVPDT-UHFFFAOYSA-N -1 3 281.224 3.063 20 0 CGADHM O=C([N-]O[C@@H]1CCCCO1)[C@@H]1CCC[C@H]2CCCC[C@H]21 ZINC000795897221 629724311 /nfs/dbraw/zinc/72/43/11/629724311.db2.gz RWWDTVLLDSRCER-KBUPBQIOSA-N -1 3 281.396 3.167 20 0 CGADHM Cc1ccc(CC(=O)[N-]OCc2ccccc2Cl)cc1 ZINC000119948352 629803221 /nfs/dbraw/zinc/80/32/21/629803221.db2.gz FZXQODLQQORUJS-UHFFFAOYSA-N -1 3 289.762 3.439 20 0 CGADHM C[C@H](CSc1nc2c(cnn2C)c(=O)[n-]1)CC(C)(C)C ZINC000865372397 630081254 /nfs/dbraw/zinc/08/12/54/630081254.db2.gz PNOVTWFFWHUFGH-VIFPVBQESA-N -1 3 294.424 3.233 20 0 CGADHM CC(C)CO[N-]C(=O)CC1CC(c2ccccc2)C1 ZINC000798984217 630133263 /nfs/dbraw/zinc/13/32/63/630133263.db2.gz MCRBCRBLIUICND-UHFFFAOYSA-N -1 3 261.365 3.274 20 0 CGADHM COc1ccccc1CO[N-]C(=O)C[C@@H]1CCC[C@@H]1C ZINC000799092615 630142245 /nfs/dbraw/zinc/14/22/45/630142245.db2.gz XPOMHTJJMVLYHW-STQMWFEESA-N -1 3 277.364 3.069 20 0 CGADHM COc1cc(C(=O)O[C@H]2CCCC2(C)C)cc(OC)c1[O-] ZINC000799501979 630193342 /nfs/dbraw/zinc/19/33/42/630193342.db2.gz BQCRKQSNKVPSDQ-ZDUSSCGKSA-N -1 3 294.347 3.145 20 0 CGADHM CC[C@H](C)CCC(=O)[N-]OCc1ccc(F)cc1 ZINC000803105851 630448142 /nfs/dbraw/zinc/44/81/42/630448142.db2.gz RYNJXMUBMYNRFL-NSHDSACASA-N -1 3 253.317 3.200 20 0 CGADHM CCc1ccc(NC([O-])=NO[C@H]2CCCCO2)cc1Cl ZINC000806679265 630573585 /nfs/dbraw/zinc/57/35/85/630573585.db2.gz GVXKFUFVRSBNND-ZDUSSCGKSA-N -1 3 298.770 3.482 20 0 CGADHM CCc1ccc(NC(=O)[N-]O[C@H]2CCCCO2)cc1Cl ZINC000806679265 630573591 /nfs/dbraw/zinc/57/35/91/630573591.db2.gz GVXKFUFVRSBNND-ZDUSSCGKSA-N -1 3 298.770 3.482 20 0 CGADHM CC[C@@H](C)N(OC)C(=O)c1cc([O-])c2ccccc2c1 ZINC000810601579 630902411 /nfs/dbraw/zinc/90/24/11/630902411.db2.gz BMJLOGPSZIMMMN-LLVKDONJSA-N -1 3 273.332 3.348 20 0 CGADHM CC(C)CO[N-]C(=O)c1c(F)cc(C(F)(F)F)cc1F ZINC000810701407 630930435 /nfs/dbraw/zinc/93/04/35/630930435.db2.gz OUHHRWYKYVYHSH-UHFFFAOYSA-N -1 3 297.223 3.301 20 0 CGADHM C[C@@H]1C[C@@H]1c1ccc(CCC(=O)[N-]OC/C=C\Cl)o1 ZINC000812406985 631247588 /nfs/dbraw/zinc/24/75/88/631247588.db2.gz UBIGTBVCWRBBGN-BRZOEBNRSA-N -1 3 283.755 3.136 20 0 CGADHM CON(C[C@@H]1CCC[C@H](C)C1)C(=O)c1ccccc1[O-] ZINC000812424244 631257673 /nfs/dbraw/zinc/25/76/73/631257673.db2.gz FJKQLUYMUAYAGU-QWHCGFSZSA-N -1 3 277.364 3.222 20 0 CGADHM CON(Cc1ccccc1Cl)C(=O)c1ccccc1[O-] ZINC000812428715 631260616 /nfs/dbraw/zinc/26/06/16/631260616.db2.gz JJDHHLTZZWAVKL-UHFFFAOYSA-N -1 3 291.734 3.249 20 0 CGADHM O=C(CCCc1c[nH]c2ccccc12)[N-]OC1CCC1 ZINC000812789206 631309311 /nfs/dbraw/zinc/30/93/11/631309311.db2.gz PRFAOQCULWEENQ-UHFFFAOYSA-N -1 3 272.348 3.091 20 0 CGADHM O=C(CC1CC(c2ccccc2)C1)[N-]OC1CCC1 ZINC000812791690 631310971 /nfs/dbraw/zinc/31/09/71/631310971.db2.gz SXNXEYAVSQXETE-UHFFFAOYSA-N -1 3 259.349 3.171 20 0 CGADHM Cc1cc(CCCC(=O)[N-]OC2CCC2)c(C)s1 ZINC000812794784 631313169 /nfs/dbraw/zinc/31/31/69/631313169.db2.gz ORKGMZUOJCPXTN-UHFFFAOYSA-N -1 3 267.394 3.288 20 0 CGADHM Cc1ccc(NCc2cccc([O-])c2Cl)c(N(C)C)n1 ZINC000815131990 631726326 /nfs/dbraw/zinc/72/63/26/631726326.db2.gz RWDLEAFZUWNKEB-UHFFFAOYSA-N -1 3 291.782 3.427 20 0 CGADHM Cc1cccc(F)c1CNCc1c(F)ccc([O-])c1F ZINC000816554379 632010160 /nfs/dbraw/zinc/01/01/60/632010160.db2.gz XDODNMXYXLWMTP-UHFFFAOYSA-N -1 3 281.277 3.408 20 0 CGADHM CCCCCC[C@@H](C)NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000816843393 632056949 /nfs/dbraw/zinc/05/69/49/632056949.db2.gz ZRGHUZQPWNIXOW-LLVKDONJSA-N -1 3 291.395 3.148 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000816977896 632067110 /nfs/dbraw/zinc/06/71/10/632067110.db2.gz JJQIXHNGPYCEJO-IKMFHRHGSA-N -1 3 265.397 3.297 20 0 CGADHM Cc1ccc2c(c1)[C@H]([N-]C(=O)C(F)(F)C(F)F)CCC2 ZINC000817020166 632071967 /nfs/dbraw/zinc/07/19/67/632071967.db2.gz DOUQVJBVGZKBKZ-LLVKDONJSA-N -1 3 289.272 3.389 20 0 CGADHM O=C(C[C@@H]1CCCc2ccccc21)[N-]OCCC1CC1 ZINC000817403413 632138383 /nfs/dbraw/zinc/13/83/83/632138383.db2.gz HUUJCBOFKUIIGE-HNNXBMFYSA-N -1 3 273.376 3.345 20 0 CGADHM O=C(CC1CC(c2ccccc2)C1)[N-]OCCC1CC1 ZINC000817416763 632147185 /nfs/dbraw/zinc/14/71/85/632147185.db2.gz TXFPTEHAEAUQHK-UHFFFAOYSA-N -1 3 273.376 3.418 20 0 CGADHM CC[C@@H](CC(=O)[N-]OCCC1CC1)c1ccc(OC)cc1 ZINC000817441926 632159426 /nfs/dbraw/zinc/15/94/26/632159426.db2.gz QFRIFKFUNUGOHP-AWEZNQCLSA-N -1 3 291.391 3.427 20 0 CGADHM CC(C)CN(Cc1ccccc1)C(=O)c1ccc(N)cc1[O-] ZINC000817917242 632234861 /nfs/dbraw/zinc/23/48/61/632234861.db2.gz OQNHAOHFNAGFIB-UHFFFAOYSA-N -1 3 298.386 3.273 20 0 CGADHM CC[C@H](NC(=O)c1ccc(N)cc1[O-])C1CCCCC1 ZINC000817931084 632236745 /nfs/dbraw/zinc/23/67/45/632236745.db2.gz IRTMACDRIHHAJJ-AWEZNQCLSA-N -1 3 276.380 3.063 20 0 CGADHM Nc1ccc(C(=O)N[C@@H](c2ccccc2)C2CCC2)c([O-])c1 ZINC000817937199 632237266 /nfs/dbraw/zinc/23/72/66/632237266.db2.gz QNYDYJNXPAKADN-KRWDZBQOSA-N -1 3 296.370 3.246 20 0 CGADHM Nc1ccc(C(=O)N[C@H](c2ccccc2)C2CCC2)c([O-])c1 ZINC000817937201 632238136 /nfs/dbraw/zinc/23/81/36/632238136.db2.gz QNYDYJNXPAKADN-QGZVFWFLSA-N -1 3 296.370 3.246 20 0 CGADHM CCC[C@H](C)[C@H]1CCCN1C(=O)c1ccc(N)cc1[O-] ZINC000817999205 632275644 /nfs/dbraw/zinc/27/56/44/632275644.db2.gz OZQGLSXWZFQHTQ-SMDDNHRTSA-N -1 3 276.380 3.015 20 0 CGADHM CCC(C)(C)[C@@H]1CCCN1C(=O)c1ccc(N)cc1[O-] ZINC000817997507 632275887 /nfs/dbraw/zinc/27/58/87/632275887.db2.gz PZSRSMGNVOECLS-AWEZNQCLSA-N -1 3 276.380 3.015 20 0 CGADHM CCOC([O-])=NOCCc1ccc2ccccc2c1 ZINC000818107804 632288289 /nfs/dbraw/zinc/28/82/89/632288289.db2.gz WEIKFQCNZPFMMM-UHFFFAOYSA-N -1 3 259.305 3.060 20 0 CGADHM CCOC(=O)[N-]OCCc1ccc2ccccc2c1 ZINC000818107804 632288292 /nfs/dbraw/zinc/28/82/92/632288292.db2.gz WEIKFQCNZPFMMM-UHFFFAOYSA-N -1 3 259.305 3.060 20 0 CGADHM CC(C)[C@@H]1C[C@@H](C(=O)Nc2c([O-])cccc2Cl)CCO1 ZINC000820558382 632645747 /nfs/dbraw/zinc/64/57/47/632645747.db2.gz QDYLIZRLHLHSEH-GWCFXTLKSA-N -1 3 297.782 3.435 20 0 CGADHM C[C@@H](CSC(C)(C)C)Nc1cccc(-c2nnn[n-]2)c1 ZINC000824450074 633246765 /nfs/dbraw/zinc/24/67/65/633246765.db2.gz RMYLRWONXNIRBL-JTQLQIEISA-N -1 3 291.424 3.199 20 0 CGADHM C[C@@H](CSC(C)(C)C)Nc1cccc(-c2nn[n-]n2)c1 ZINC000824450074 633246771 /nfs/dbraw/zinc/24/67/71/633246771.db2.gz RMYLRWONXNIRBL-JTQLQIEISA-N -1 3 291.424 3.199 20 0 CGADHM Cc1csc(S(=O)(=O)[N-]CC(C)(C)C(C)(F)F)c1 ZINC000867786085 633268088 /nfs/dbraw/zinc/26/80/88/633268088.db2.gz IKIRSULXCXHNHK-UHFFFAOYSA-N -1 3 297.392 3.016 20 0 CGADHM COc1cc(-c2nnn[n-]2)ccc1CS[C@@H](C)C(C)C ZINC000826173588 633408322 /nfs/dbraw/zinc/40/83/22/633408322.db2.gz LCWTVIVDKMZCLT-JTQLQIEISA-N -1 3 292.408 3.153 20 0 CGADHM COc1cc(-c2nn[n-]n2)ccc1CS[C@@H](C)C(C)C ZINC000826173588 633408327 /nfs/dbraw/zinc/40/83/27/633408327.db2.gz LCWTVIVDKMZCLT-JTQLQIEISA-N -1 3 292.408 3.153 20 0 CGADHM Cc1cc(F)c(CC(=O)[N-]OC2CCCCC2)cc1F ZINC000829052870 633685152 /nfs/dbraw/zinc/68/51/52/633685152.db2.gz NLAQBWRPZDVYQY-UHFFFAOYSA-N -1 3 283.318 3.196 20 0 CGADHM O=C([N-]OCCCC(F)(F)F)C1(C2CCC2)CCC1 ZINC000871216719 633732119 /nfs/dbraw/zinc/73/21/19/633732119.db2.gz DCPQIFGZJZKERO-UHFFFAOYSA-N -1 3 279.302 3.347 20 0 CGADHM CCCOc1ccc(C=Cc2nccc(=O)[n-]2)cc1C ZINC000871660336 633814361 /nfs/dbraw/zinc/81/43/61/633814361.db2.gz MATJVSZGYULMRB-ALCCZGGFSA-N -1 3 270.332 3.450 20 0 CGADHM CC1(CNCc2nc(CC(=O)[O-])cs2)CCCCCC1 ZINC000871881172 633909337 /nfs/dbraw/zinc/90/93/37/633909337.db2.gz LHSHOQPDHSKYLE-UHFFFAOYSA-N -1 3 296.436 3.220 20 0 CGADHM C[C@H](O)[C@@H](N[C@@H](C)c1cccc([O-])c1F)c1ccccc1 ZINC000872087046 634013316 /nfs/dbraw/zinc/01/33/16/634013316.db2.gz ANPUYFVJCBLILP-NVGCLXPQSA-N -1 3 289.350 3.304 20 0 CGADHM O=C(CCc1ccc2ccccc2c1O)[N-]OC1CCC1 ZINC000832332294 634049850 /nfs/dbraw/zinc/04/98/50/634049850.db2.gz HXWDEBFCYVLVEC-UHFFFAOYSA-N -1 3 285.343 3.078 20 0 CGADHM CC(C)COC1CCN(Cc2cc(C(=O)[O-])cs2)CC1 ZINC000872157429 634067460 /nfs/dbraw/zinc/06/74/60/634067460.db2.gz PCAJTEAJYZRMJU-UHFFFAOYSA-N -1 3 297.420 3.083 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CCC(CSC)CC2)c1 ZINC000834357301 634152710 /nfs/dbraw/zinc/15/27/10/634152710.db2.gz AAMVUIPIWBUVAS-UHFFFAOYSA-N -1 3 293.432 3.170 20 0 CGADHM [O-]c1ccc(F)c(CN[C@@H]2CCCC[C@@H]2F)c1F ZINC000877682348 635143876 /nfs/dbraw/zinc/14/38/76/635143876.db2.gz KNGYMBRELPFBPY-WDEREUQCSA-N -1 3 259.271 3.041 20 0 CGADHM CSc1ccc(CO[N-]C(=O)CC(C)(C)C)cc1 ZINC000842060121 635269946 /nfs/dbraw/zinc/26/99/46/635269946.db2.gz FYEUIFNDLNLRPA-UHFFFAOYSA-N -1 3 267.394 3.393 20 0 CGADHM Cc1cc(=O)[n-]c(CSCc2cc(C(C)(C)C)on2)n1 ZINC000842174929 635306317 /nfs/dbraw/zinc/30/63/17/635306317.db2.gz KEADKNGHMPZGEQ-UHFFFAOYSA-N -1 3 293.392 3.210 20 0 CGADHM CC1(CC(F)F)CN(Cc2c(F)ccc([O-])c2F)C1 ZINC000843425022 635670187 /nfs/dbraw/zinc/67/01/87/635670187.db2.gz QOXYBHLSULBIPN-UHFFFAOYSA-N -1 3 277.261 3.148 20 0 CGADHM CC(=O)c1cccc(NC(=O)C[C@@H]2CCC(F)(F)C2)c1[O-] ZINC000843887859 635791840 /nfs/dbraw/zinc/79/18/40/635791840.db2.gz AYLIHDLEEMUTPJ-JTQLQIEISA-N -1 3 297.301 3.359 20 0 CGADHM CCCO[N-]C(=O)C1(Cc2ccc(Cl)cc2)CC1 ZINC000844086400 635818291 /nfs/dbraw/zinc/81/82/91/635818291.db2.gz ZNBVZNNSCHKBNT-UHFFFAOYSA-N -1 3 267.756 3.121 20 0 CGADHM [O-]C(=NOCCC1CC1)N=c1s[nH]c2ccccc21 ZINC000879823908 635869092 /nfs/dbraw/zinc/86/90/92/635869092.db2.gz MPNNGMBOLUODGU-UHFFFAOYSA-N -1 3 277.349 3.150 20 0 CGADHM O=C(N=c1s[nH]c2ccccc21)[N-]OCCC1CC1 ZINC000879823908 635869098 /nfs/dbraw/zinc/86/90/98/635869098.db2.gz MPNNGMBOLUODGU-UHFFFAOYSA-N -1 3 277.349 3.150 20 0 CGADHM CC(C)(CNC(=O)c1cc([O-])ccc1Cl)CC(F)F ZINC000881539554 636138113 /nfs/dbraw/zinc/13/81/13/636138113.db2.gz SFBLOLKFVTWCRU-UHFFFAOYSA-N -1 3 291.725 3.457 20 0 CGADHM COc1ccc(CN2CCC[C@@](C)(C(=O)[O-])C2)c(Cl)c1 ZINC000846275833 636170981 /nfs/dbraw/zinc/17/09/81/636170981.db2.gz WULMHWGRBDDVOZ-OAHLLOKOSA-N -1 3 297.782 3.035 20 0 CGADHM O=C(c1cc2sccc2c([O-])c1)N1CCC[C@H](F)C1 ZINC000846628752 636212368 /nfs/dbraw/zinc/21/23/68/636212368.db2.gz BXTATGJLGPWGJB-JTQLQIEISA-N -1 3 279.336 3.181 20 0 CGADHM O=c1cc(CNc2nc(Cl)cs2)nc(C2CCC2)[n-]1 ZINC000882685224 636382561 /nfs/dbraw/zinc/38/25/61/636382561.db2.gz GZXPENQXUNZSCP-UHFFFAOYSA-N -1 3 296.783 3.172 20 0 CGADHM O=C(CCC1CCCCCC1)[N-]OCc1cccnc1 ZINC000847599944 636402110 /nfs/dbraw/zinc/40/21/10/636402110.db2.gz WYOFSMIXNBCNJJ-UHFFFAOYSA-N -1 3 276.380 3.380 20 0 CGADHM O=C([N-]c1nc(C2CCC2)cs1)c1c(F)ccnc1F ZINC000847954242 636504251 /nfs/dbraw/zinc/50/42/51/636504251.db2.gz PNTDNNZHXXHSPD-UHFFFAOYSA-N -1 3 295.314 3.336 20 0 CGADHM C[C@H](NC1(c2ncccn2)CCC1)c1cccc([O-])c1F ZINC000883311129 636661060 /nfs/dbraw/zinc/66/10/60/636661060.db2.gz OZRNCTPVVJALGZ-NSHDSACASA-N -1 3 287.338 3.051 20 0 CGADHM Cc1ccc([O-])c(CN[C@H]2c3ccccc3CC[C@H]2F)n1 ZINC000883382486 636724412 /nfs/dbraw/zinc/72/44/12/636724412.db2.gz HUWSASDIRROYCZ-PBHICJAKSA-N -1 3 286.350 3.211 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)OCCCC1CCC1 ZINC000849796222 636877753 /nfs/dbraw/zinc/87/77/53/636877753.db2.gz UAMSSPZVLJYCKE-UHFFFAOYSA-N -1 3 266.312 3.197 20 0 CGADHM [O-]c1cccc(CN[C@H]2C[C@@H](O)c3ccccc32)c1Cl ZINC000850372884 637035765 /nfs/dbraw/zinc/03/57/65/637035765.db2.gz APABTRSOWZZGSU-DZGCQCFKSA-N -1 3 289.762 3.314 20 0 CGADHM Nc1ccc(C(=O)N2CCCC3(CCCC3)CC2)c([O-])c1 ZINC000852845916 637718216 /nfs/dbraw/zinc/71/82/16/637718216.db2.gz ODZNMHYHYHMUJK-UHFFFAOYSA-N -1 3 288.391 3.161 20 0 CGADHM Nc1ccc(C(=O)N2CCCC[C@H]2CC2CCC2)c([O-])c1 ZINC000852918022 637723930 /nfs/dbraw/zinc/72/39/30/637723930.db2.gz SDXGFRLNCDHIAL-AWEZNQCLSA-N -1 3 288.391 3.159 20 0 CGADHM O=C(Nc1[nH][n-]c2cc(=O)ccc1-2)C(F)=C1CCCC1 ZINC000854583980 638073771 /nfs/dbraw/zinc/07/37/71/638073771.db2.gz RGHHDUCXAZUYIG-UHFFFAOYSA-N -1 3 275.283 3.005 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)C(C)(C)CC(F)(F)F ZINC000854603064 638077154 /nfs/dbraw/zinc/07/71/54/638077154.db2.gz UCKMFJRKWXQIJQ-QMMMGPOBSA-N -1 3 255.280 3.059 20 0 CGADHM O=C(CCSc1ccccc1F)[N-]OCC1CCC1 ZINC000856344796 638345810 /nfs/dbraw/zinc/34/58/10/638345810.db2.gz QQWFZWGCTUOBMJ-UHFFFAOYSA-N -1 3 283.368 3.156 20 0 CGADHM Cc1cccc2c(CCC(=O)[N-]OCC3CCC3)c[nH]c21 ZINC000856350122 638349491 /nfs/dbraw/zinc/34/94/91/638349491.db2.gz ZIITXPFRXNLLDP-UHFFFAOYSA-N -1 3 286.375 3.257 20 0 CGADHM CO/C(=C\c1ccccc1)C(=O)[N-]OC1CCCCC1 ZINC000857186145 638468990 /nfs/dbraw/zinc/46/89/90/638468990.db2.gz HSWKAXWXEFVJDJ-QINSGFPZSA-N -1 3 275.348 3.054 20 0 CGADHM CCc1nc(C)c(C(=O)[N-]c2c(C)noc2C(C)C)o1 ZINC000928784925 638891682 /nfs/dbraw/zinc/89/16/82/638891682.db2.gz RARJHEIQICGMCU-UHFFFAOYSA-N -1 3 277.324 3.218 20 0 CGADHM Cc1noc(C(C)C)c1[N-]C(=O)c1csnc1C ZINC000928785997 638892012 /nfs/dbraw/zinc/89/20/12/638892012.db2.gz MTURSOXVYMGZAV-UHFFFAOYSA-N -1 3 265.338 3.124 20 0 CGADHM O=C(CC1CCC(F)(F)CC1)[N-]OC/C=C/Cl ZINC000861783015 639614211 /nfs/dbraw/zinc/61/42/11/639614211.db2.gz QQYSGHIAQWDAKV-LZCJLJQNSA-N -1 3 267.703 3.002 20 0 CGADHM CCc1ccc(C(=O)NCCCCCCC(C)=O)c([O-])c1 ZINC000862076720 639641067 /nfs/dbraw/zinc/64/10/67/639641067.db2.gz BCJAULHGYAMCTB-UHFFFAOYSA-N -1 3 291.391 3.224 20 0 CGADHM O=C(Nc1ccc(Cl)cc1[O-])[C@]12CCO[C@@H]1CCCC2 ZINC000935099431 639748340 /nfs/dbraw/zinc/74/83/40/639748340.db2.gz JERQEBDVXUCWNG-UKRRQHHQSA-N -1 3 295.766 3.333 20 0 CGADHM CC[C@]1(C)CN(Cc2cc(Cl)ccc2[O-])CCO1 ZINC000191149922 640293997 /nfs/dbraw/zinc/29/39/97/640293997.db2.gz WUXAPWYXWHWBPJ-CQSZACIVSA-N -1 3 269.772 3.047 20 0 CGADHM Cc1ccc(CC(=O)[N-]OCCCc2ccccc2)cc1 ZINC000088520004 640618762 /nfs/dbraw/zinc/61/87/62/640618762.db2.gz GDOLHLLRUPVZGC-UHFFFAOYSA-N -1 3 283.371 3.218 20 0 CGADHM O=C(Nc1ccccc1Cl)c1cc2c(cc1[O-])OCO2 ZINC000093900347 640785807 /nfs/dbraw/zinc/78/58/07/640785807.db2.gz LUHJHSVLDXQXKT-UHFFFAOYSA-N -1 3 291.690 3.027 20 0 CGADHM Fc1cc(F)c(F)c2[n-]c(-c3nccs3)nc21 ZINC001250495653 805651482 /nfs/dbraw/zinc/65/14/82/805651482.db2.gz SNQKDCDBCJREHC-UHFFFAOYSA-N -1 3 255.224 3.104 20 0 CGADHM Fc1cc(F)c(F)c2nc(-c3nccs3)[n-]c21 ZINC001250495653 805651485 /nfs/dbraw/zinc/65/14/85/805651485.db2.gz SNQKDCDBCJREHC-UHFFFAOYSA-N -1 3 255.224 3.104 20 0 CGADHM [O-]c1ccc(F)c(-c2ccnc3ccncc32)c1F ZINC001250502841 805660638 /nfs/dbraw/zinc/66/06/38/805660638.db2.gz OANXINDCSRBSHY-UHFFFAOYSA-N -1 3 258.227 3.281 20 0 CGADHM Cc1cc2nc(-c3ccc(-c4nnn[n-]4)cc3)[nH]c2cc1C ZINC001250748007 805770051 /nfs/dbraw/zinc/77/00/51/805770051.db2.gz ZBXFTBFVOWNPKR-UHFFFAOYSA-N -1 3 290.330 3.027 20 0 CGADHM Cc1cc2nc(-c3ccc(-c4nn[n-]n4)cc3)[nH]c2cc1C ZINC001250748007 805770056 /nfs/dbraw/zinc/77/00/56/805770056.db2.gz ZBXFTBFVOWNPKR-UHFFFAOYSA-N -1 3 290.330 3.027 20 0 CGADHM COc1ccc2c(c1)nc(-c1cccc([O-])c1F)n2C ZINC001251255482 805872859 /nfs/dbraw/zinc/87/28/59/805872859.db2.gz NQUWVCYHRUHQTR-UHFFFAOYSA-N -1 3 272.279 3.094 20 0 CGADHM Cc1nc(C)c(-c2nc3c([n-]2)c(F)cc(F)c3F)o1 ZINC001251456922 805898050 /nfs/dbraw/zinc/89/80/50/805898050.db2.gz LRJJONYCHRIFFP-UHFFFAOYSA-N -1 3 267.210 3.252 20 0 CGADHM O=C(NC[C@H]1CSc2ccccc21)c1ccccc1[O-] ZINC001159228763 806062080 /nfs/dbraw/zinc/06/20/80/806062080.db2.gz BNXMZROXOLVQJF-NSHDSACASA-N -1 3 285.368 3.012 20 0 CGADHM CCc1ccc(-c2nnc(-c3c([O-])cccc3O)o2)cc1 ZINC001252954346 806139775 /nfs/dbraw/zinc/13/97/75/806139775.db2.gz ZLOKNBLXFPOQBL-UHFFFAOYSA-N -1 3 282.299 3.377 20 0 CGADHM Cc1cccc([O-])c1-c1nnc(-c2ccccc2)o1 ZINC001253131222 806178350 /nfs/dbraw/zinc/17/83/50/806178350.db2.gz OUWGVQIZLGBEJP-UHFFFAOYSA-N -1 3 252.273 3.418 20 0 CGADHM CCS(=O)(=O)[N-]c1cc(C2CCCCC2)ccc1O ZINC001253373657 806211857 /nfs/dbraw/zinc/21/18/57/806211857.db2.gz FPGHIQVZOTWUHV-UHFFFAOYSA-N -1 3 283.393 3.202 20 0 CGADHM COc1c(F)cc([N-]c2nnc(C(C)C)o2)cc1F ZINC001211673828 814929842 /nfs/dbraw/zinc/92/98/42/814929842.db2.gz AKZNGOIFWXQARD-UHFFFAOYSA-N -1 3 269.251 3.223 20 0 CGADHM Cc1cccc([O-])c1-c1nnc(Cc2ccccc2)o1 ZINC001253579413 806263483 /nfs/dbraw/zinc/26/34/83/806263483.db2.gz CFNONADNLHDIFH-UHFFFAOYSA-N -1 3 266.300 3.341 20 0 CGADHM [O-]c1c(OC(F)(F)F)cccc1-c1nnc(C2CC2)o1 ZINC001254120441 806345579 /nfs/dbraw/zinc/34/55/79/806345579.db2.gz SGAWSXUDZUTDGR-UHFFFAOYSA-N -1 3 286.209 3.218 20 0 CGADHM CC(C)(C)[C@H]1CCC[C@@H]1NC(=O)c1ccc(O)cc1[O-] ZINC001161554586 806388903 /nfs/dbraw/zinc/38/89/03/806388903.db2.gz SJPMXVWAXVCWPF-STQMWFEESA-N -1 3 277.364 3.042 20 0 CGADHM [O-]c1ccc(-c2nnc([C@@H]3C[C@@H]3c3ccccc3)o2)nc1 ZINC001254511588 806431232 /nfs/dbraw/zinc/43/12/32/806431232.db2.gz CTCAAQUCDSFYKQ-CHWSQXEVSA-N -1 3 279.299 3.108 20 0 CGADHM COc1cccc([O-])c1C(=O)NC[C@H]1CCCC(C)(C)C1 ZINC001161934502 806485721 /nfs/dbraw/zinc/48/57/21/806485721.db2.gz XINSLCZXTGQZFO-LBPRGKRZSA-N -1 3 291.391 3.347 20 0 CGADHM CC(C)(C)C1CCC([NH2+]CCCCP(=O)([O-])[O-])CC1 ZINC001255497740 806653378 /nfs/dbraw/zinc/65/33/78/806653378.db2.gz UQKMURULVNCJIB-UHFFFAOYSA-N -1 3 291.372 3.139 20 0 CGADHM Cc1ccc(CNc2ccc3c(c2)[N-]C(=S)C3)cn1 ZINC001162875819 806678495 /nfs/dbraw/zinc/67/84/95/806678495.db2.gz CUJXXTSZFCTUOG-UHFFFAOYSA-N -1 3 269.373 3.298 20 0 CGADHM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1N ZINC000070438925 798915530 /nfs/dbraw/zinc/91/55/30/798915530.db2.gz LQIACAWKKUNSEU-UHFFFAOYSA-N -1 3 296.779 3.031 20 0 CGADHM Cc1cccc(OCCCCC(=O)[N-]OC(C)(C)C)c1 ZINC000125823786 799003692 /nfs/dbraw/zinc/00/36/92/799003692.db2.gz TVGJZPHXHXUEOM-UHFFFAOYSA-N -1 3 279.380 3.390 20 0 CGADHM CCCCc1ccc(CC(=O)[N-]OC(C)(C)C)cc1 ZINC000148976216 799052069 /nfs/dbraw/zinc/05/20/69/799052069.db2.gz KORXPXZZLZQEIY-UHFFFAOYSA-N -1 3 263.381 3.418 20 0 CGADHM CCN(C(=O)c1cc2c(cc1[O-])OCO2)c1cccc(C)c1 ZINC000436761365 799612200 /nfs/dbraw/zinc/61/22/00/799612200.db2.gz YQKQPEVBARMDPA-UHFFFAOYSA-N -1 3 299.326 3.096 20 0 CGADHM CO[C@H]1CC[C@@H](C)N(Cc2cccc([O-])c2Cl)C1 ZINC000687212551 799737459 /nfs/dbraw/zinc/73/74/59/799737459.db2.gz KJVYTKXLVTYOQI-PWSUYJOCSA-N -1 3 269.772 3.045 20 0 CGADHM Cc1cccc([O-])c1C(=O)NCC(C(C)C)C(C)C ZINC000706572219 799963508 /nfs/dbraw/zinc/96/35/08/799963508.db2.gz LKEDZUQSZSWUSD-UHFFFAOYSA-N -1 3 263.381 3.359 20 0 CGADHM Cc1cccc([O-])c1C(=O)N[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000712569799 800093622 /nfs/dbraw/zinc/09/36/22/800093622.db2.gz BIBMETJMQDWPAY-RWMBFGLXSA-N -1 3 259.349 3.009 20 0 CGADHM O=C(NC1(C2CC2)CCC1)c1cc([O-])ccc1Cl ZINC000717889396 800207037 /nfs/dbraw/zinc/20/70/37/800207037.db2.gz USPHZNCIOQKQQY-UHFFFAOYSA-N -1 3 265.740 3.108 20 0 CGADHM Cc1ccc2c(c1)[C@@H]([N-]C(=O)C(F)(F)C(F)F)CCC2 ZINC000809300787 800425966 /nfs/dbraw/zinc/42/59/66/800425966.db2.gz DOUQVJBVGZKBKZ-NSHDSACASA-N -1 3 289.272 3.389 20 0 CGADHM CSCCCNc1[n-]c(=O)c(Cl)cc1Cl ZINC001163868724 806841591 /nfs/dbraw/zinc/84/15/91/806841591.db2.gz DQJPEGZAHJUSHJ-UHFFFAOYSA-N -1 3 267.181 3.259 20 0 CGADHM CC(C)[C@@H](F)C(=O)Nc1ccc(Br)cc1[O-] ZINC001116710024 802399905 /nfs/dbraw/zinc/39/99/05/802399905.db2.gz WRNLUYYSWAYCMB-SNVBAGLBSA-N -1 3 290.132 3.087 20 0 CGADHM CCC(=O)c1ccc(OC(=O)c2cccc(F)c2[O-])cc1 ZINC001124258629 803007768 /nfs/dbraw/zinc/00/77/68/803007768.db2.gz ZUWMWDMCSOCKKW-UHFFFAOYSA-N -1 3 288.274 3.343 20 0 CGADHM CSc1cc(F)c(-c2ccc(=S)[n-]n2)cc1F ZINC001243933420 803083352 /nfs/dbraw/zinc/08/33/52/803083352.db2.gz WKPYFVYTQPQQSJ-UHFFFAOYSA-N -1 3 270.329 3.432 20 0 CGADHM CN1CCOc2cc(-c3ccc4c(c3)[N-]C(=S)C4)ccc21 ZINC001243946184 803094237 /nfs/dbraw/zinc/09/42/37/803094237.db2.gz YBDHOCUUKUVTHQ-UHFFFAOYSA-N -1 3 296.395 3.478 20 0 CGADHM COc1ccnc(F)c1-c1c([O-])cccc1Cl ZINC001244047073 803159173 /nfs/dbraw/zinc/15/91/73/803159173.db2.gz KUAOKOOPZLHUPS-UHFFFAOYSA-N -1 3 253.660 3.255 20 0 CGADHM O=c1cc(-c2c([O-])cccc2Cl)ccn1CC1CC1 ZINC001244048583 803160387 /nfs/dbraw/zinc/16/03/87/803160387.db2.gz QVQUQBHFJXDTTA-UHFFFAOYSA-N -1 3 275.735 3.284 20 0 CGADHM COC(=O)c1ncc(-c2c([O-])cccc2Cl)cc1F ZINC001244050452 803161540 /nfs/dbraw/zinc/16/15/40/803161540.db2.gz MBNFBCNPJKJQPB-UHFFFAOYSA-N -1 3 281.670 3.033 20 0 CGADHM COC(=O)c1cc(-c2c([O-])cccc2Cl)cnc1F ZINC001244052568 803162494 /nfs/dbraw/zinc/16/24/94/803162494.db2.gz XNUPNZNWGQKHFY-UHFFFAOYSA-N -1 3 281.670 3.033 20 0 CGADHM Cc1cc(F)cc(-c2cncc(-c3nnn[n-]3)c2)c1Cl ZINC001244355551 803324622 /nfs/dbraw/zinc/32/46/22/803324622.db2.gz ZHHSVWBZACJBPW-UHFFFAOYSA-N -1 3 289.701 3.030 20 0 CGADHM Cc1cc(F)cc(-c2cncc(-c3nn[n-]n3)c2)c1Cl ZINC001244355551 803324624 /nfs/dbraw/zinc/32/46/24/803324624.db2.gz ZHHSVWBZACJBPW-UHFFFAOYSA-N -1 3 289.701 3.030 20 0 CGADHM Clc1ccc(-c2cccc(-c3nnn[n-]3)c2)c2n[nH]cc21 ZINC001244399349 803347802 /nfs/dbraw/zinc/34/78/02/803347802.db2.gz MIWOVGLDIQONKU-UHFFFAOYSA-N -1 3 296.721 3.063 20 0 CGADHM Clc1ccc(-c2cccc(-c3nn[n-]n3)c2)c2n[nH]cc21 ZINC001244399349 803347809 /nfs/dbraw/zinc/34/78/09/803347809.db2.gz MIWOVGLDIQONKU-UHFFFAOYSA-N -1 3 296.721 3.063 20 0 CGADHM O=C1NCc2cc(-c3ccc(Cl)cc3[O-])ccc2N1 ZINC001244470007 803385465 /nfs/dbraw/zinc/38/54/65/803385465.db2.gz VBMLCEVZMPBLDE-UHFFFAOYSA-N -1 3 274.707 3.348 20 0 CGADHM COCOc1cncc(-c2ccc(Cl)cc2[O-])c1 ZINC001244472162 803388769 /nfs/dbraw/zinc/38/87/69/803388769.db2.gz MBIHMXYONSQFPC-UHFFFAOYSA-N -1 3 265.696 3.090 20 0 CGADHM CSc1ccnc(-c2cc(C)c(F)c([O-])c2)n1 ZINC001244496565 803404144 /nfs/dbraw/zinc/40/41/44/803404144.db2.gz SXMWLNIDCLOAAJ-UHFFFAOYSA-N -1 3 250.298 3.019 20 0 CGADHM COc1cc(-c2cc(C)c(F)c([O-])c2)nc(SC)n1 ZINC001244506327 803410535 /nfs/dbraw/zinc/41/05/35/803410535.db2.gz MUWIPDRVDJYHJC-UHFFFAOYSA-N -1 3 280.324 3.027 20 0 CGADHM Cc1cc(-c2ccc3ncncc3c2)cc([O-])c1F ZINC001244516443 803413845 /nfs/dbraw/zinc/41/38/45/803413845.db2.gz UZYBHFPFMBLDGE-UHFFFAOYSA-N -1 3 254.264 3.450 20 0 CGADHM Cc1cc(-c2cccc(-c3nc[nH]n3)c2)cc([O-])c1F ZINC001244521211 803415116 /nfs/dbraw/zinc/41/51/16/803415116.db2.gz QFEKPYZQSBEODQ-UHFFFAOYSA-N -1 3 269.279 3.292 20 0 CGADHM Cc1cc(-c2cnc3ccncc3c2)cc([O-])c1F ZINC001244524727 803417331 /nfs/dbraw/zinc/41/73/31/803417331.db2.gz GCALSOFRXQKHET-UHFFFAOYSA-N -1 3 254.264 3.450 20 0 CGADHM Cc1cc(-c2cc(O[C@H]3CCOC3)ccn2)cc([O-])c1F ZINC001244526228 803420103 /nfs/dbraw/zinc/42/01/03/803420103.db2.gz VDWMZUIQHATMHQ-ZDUSSCGKSA-N -1 3 289.306 3.069 20 0 CGADHM CCOc1ccc(C)c(-c2ccccc2-c2nnn[n-]2)c1 ZINC001244869687 803557428 /nfs/dbraw/zinc/55/74/28/803557428.db2.gz DEKNRCKVBQQRKT-UHFFFAOYSA-N -1 3 280.331 3.241 20 0 CGADHM CCOc1ccc(C)c(-c2ccccc2-c2nn[n-]n2)c1 ZINC001244869687 803557429 /nfs/dbraw/zinc/55/74/29/803557429.db2.gz DEKNRCKVBQQRKT-UHFFFAOYSA-N -1 3 280.331 3.241 20 0 CGADHM COC(=O)c1cc(C)c(-c2cc(Cl)ccc2[O-])cn1 ZINC001245050481 803623334 /nfs/dbraw/zinc/62/33/34/803623334.db2.gz JBGPEBSKLREALM-UHFFFAOYSA-N -1 3 277.707 3.203 20 0 CGADHM CC(C)Oc1ncc(-c2cc(Cl)ccc2[O-])cn1 ZINC001245057261 803625589 /nfs/dbraw/zinc/62/55/89/803625589.db2.gz LKGPFZXRHIFSNW-UHFFFAOYSA-N -1 3 264.712 3.290 20 0 CGADHM COC(=O)c1ccc(F)c(-c2ccc([O-])cc2Cl)n1 ZINC001245080018 803635473 /nfs/dbraw/zinc/63/54/73/803635473.db2.gz WAZSBQJXCBHYAP-UHFFFAOYSA-N -1 3 281.670 3.033 20 0 CGADHM CSc1ccc(-c2ccc([O-])cc2Cl)nn1 ZINC001245080189 803635588 /nfs/dbraw/zinc/63/55/88/803635588.db2.gz UYKSDRSMEGYSRZ-UHFFFAOYSA-N -1 3 252.726 3.225 20 0 CGADHM [O-]c1ccc(-c2ncc(OC(F)F)cn2)c(Cl)c1 ZINC001245079991 803635762 /nfs/dbraw/zinc/63/57/62/803635762.db2.gz VNPLEERKEVULIN-UHFFFAOYSA-N -1 3 272.638 3.104 20 0 CGADHM CSc1ccnc(-c2ccc([O-])cc2Cl)n1 ZINC001245081451 803636552 /nfs/dbraw/zinc/63/65/52/803636552.db2.gz GYOGCRYVSSFNFK-UHFFFAOYSA-N -1 3 252.726 3.225 20 0 CGADHM CC(=O)Nc1ccc(C)c(NC(=O)c2c(C)cccc2[O-])c1 ZINC001136237716 803637659 /nfs/dbraw/zinc/63/76/59/803637659.db2.gz LONYPMSOJAFATH-UHFFFAOYSA-N -1 3 298.342 3.220 20 0 CGADHM COc1c(F)cc(SC)cc1-c1ccc(=S)[n-]n1 ZINC001245225134 803667643 /nfs/dbraw/zinc/66/76/43/803667643.db2.gz UODPWTUQFIXZPD-UHFFFAOYSA-N -1 3 282.365 3.302 20 0 CGADHM O=C(Nc1cccc([O-])c1F)[C@@H]1C[C@H]1c1ccsc1 ZINC001137580670 803741209 /nfs/dbraw/zinc/74/12/09/803741209.db2.gz UFGLBSQNKUQMDJ-VHSXEESVSA-N -1 3 277.320 3.335 20 0 CGADHM CC(=O)c1cc(Nc2ccc([O-])c(F)c2F)cnc1C ZINC001212005521 814965968 /nfs/dbraw/zinc/96/59/68/814965968.db2.gz LXZOZRDEQAZBJS-UHFFFAOYSA-N -1 3 278.258 3.320 20 0 CGADHM COc1cccc(C(=O)Nc2cc(F)ccc2[O-])c1C ZINC001138016108 803826166 /nfs/dbraw/zinc/82/61/66/803826166.db2.gz GJBISBHGHGJECL-UHFFFAOYSA-N -1 3 275.279 3.101 20 0 CGADHM Fc1ccc2[nH]c(-c3ccc(F)c(-c4nnn[n-]4)c3)cc2c1 ZINC001245575687 803827928 /nfs/dbraw/zinc/82/79/28/803827928.db2.gz HJKCWHXFNGEKLJ-UHFFFAOYSA-N -1 3 297.268 3.293 20 0 CGADHM Fc1ccc2[nH]c(-c3ccc(F)c(-c4nn[n-]n4)c3)cc2c1 ZINC001245575687 803827935 /nfs/dbraw/zinc/82/79/35/803827935.db2.gz HJKCWHXFNGEKLJ-UHFFFAOYSA-N -1 3 297.268 3.293 20 0 CGADHM Cc1cc(-c2nnn[n-]2)ccc1-c1cc2ccc(F)cc2[nH]1 ZINC001245591678 803839286 /nfs/dbraw/zinc/83/92/86/803839286.db2.gz NHWHVGYJNKPRGB-UHFFFAOYSA-N -1 3 293.305 3.463 20 0 CGADHM Cc1cc(-c2nn[n-]n2)ccc1-c1cc2ccc(F)cc2[nH]1 ZINC001245591678 803839296 /nfs/dbraw/zinc/83/92/96/803839296.db2.gz NHWHVGYJNKPRGB-UHFFFAOYSA-N -1 3 293.305 3.463 20 0 CGADHM C[C@H](NC(=O)c1ccc(O)cc1[O-])C1CCCCCC1 ZINC001138124315 803863673 /nfs/dbraw/zinc/86/36/73/803863673.db2.gz HIBKWYZYFZBUGI-NSHDSACASA-N -1 3 277.364 3.187 20 0 CGADHM COc1ccc(C(=O)N[C@H](C)C2CCCCCC2)c([O-])c1 ZINC001138126138 803863932 /nfs/dbraw/zinc/86/39/32/803863932.db2.gz YWPBYFWEABUKNX-GFCCVEGCSA-N -1 3 291.391 3.490 20 0 CGADHM [O-]c1cccc(F)c1-c1ccnc(OCC2CC2)c1 ZINC001245654982 803885786 /nfs/dbraw/zinc/88/57/86/803885786.db2.gz NRNCWKPRQVDNAB-UHFFFAOYSA-N -1 3 259.280 3.382 20 0 CGADHM [O-]c1cccc(F)c1-c1cnc(OCC2CCC2)nc1 ZINC001245654654 803886676 /nfs/dbraw/zinc/88/66/76/803886676.db2.gz KWFUPSLGDOXHAY-UHFFFAOYSA-N -1 3 274.295 3.167 20 0 CGADHM CSc1ncc(-c2c([O-])cccc2F)c(C)n1 ZINC001245655619 803889075 /nfs/dbraw/zinc/88/90/75/803889075.db2.gz DMRKAFVYBVWMJH-UHFFFAOYSA-N -1 3 250.298 3.019 20 0 CGADHM COC(=O)c1cc2cccc(-c3c([O-])cccc3F)c2[nH]1 ZINC001245656983 803890949 /nfs/dbraw/zinc/89/09/49/803890949.db2.gz XAZPLQDUXWGZFH-UHFFFAOYSA-N -1 3 285.274 3.466 20 0 CGADHM O=C1NCCC[C@H]1c1ccc(-c2c([O-])cccc2F)cc1 ZINC001245657730 803891887 /nfs/dbraw/zinc/89/18/87/803891887.db2.gz RURGRGPPOXTKOX-ZDUSSCGKSA-N -1 3 285.318 3.192 20 0 CGADHM CCn1nnc2c1ccc(-c1c([O-])cccc1F)c2C ZINC001245657307 803892766 /nfs/dbraw/zinc/89/27/66/803892766.db2.gz JWGIIAOSMRWJTI-UHFFFAOYSA-N -1 3 271.295 3.271 20 0 CGADHM CC(C)[C@@H]1CCC[C@H](NC(=O)c2ccc(O)cc2[O-])CC1 ZINC001138508160 803955215 /nfs/dbraw/zinc/95/52/15/803955215.db2.gz PUFDLTREILCEPB-OLZOCXBDSA-N -1 3 291.391 3.433 20 0 CGADHM Cc1ccc(Nc2cc[nH]c(=O)c2)c(Cl)c1[O-] ZINC001212278391 815001001 /nfs/dbraw/zinc/00/10/01/815001001.db2.gz VZWRNXQUZOKCNQ-UHFFFAOYSA-N -1 3 250.685 3.198 20 0 CGADHM CN(Cc1cccc(Cl)c1)Cc1ccncc1[O-] ZINC001140278191 804407320 /nfs/dbraw/zinc/40/73/20/804407320.db2.gz OBBNZFMFIVLIHV-UHFFFAOYSA-N -1 3 262.740 3.073 20 0 CGADHM CN(CCC(=O)c1ccccc1)Cc1ccccc1C(=O)[O-] ZINC001140504046 804448732 /nfs/dbraw/zinc/44/87/32/804448732.db2.gz VXFLSGQONUMQQY-UHFFFAOYSA-N -1 3 297.354 3.090 20 0 CGADHM COCC[C@@H]1CCCCN1Cc1ccc([O-])c(F)c1F ZINC001140893773 804545665 /nfs/dbraw/zinc/54/56/65/804545665.db2.gz IAKLMGYMBQOPAD-LBPRGKRZSA-N -1 3 285.334 3.061 20 0 CGADHM CN(CCc1ccccc1Cl)Cc1ccc(C(=O)[O-])o1 ZINC001140946599 804556473 /nfs/dbraw/zinc/55/64/73/804556473.db2.gz SHVUUGOGRQKVGP-UHFFFAOYSA-N -1 3 293.750 3.306 20 0 CGADHM CC[C@@H]1CCC[C@@H]1CNC(=O)c1c(C)cccc1[O-] ZINC001140981182 804561150 /nfs/dbraw/zinc/56/11/50/804561150.db2.gz GOIPENMZQZCWDN-CHWSQXEVSA-N -1 3 261.365 3.257 20 0 CGADHM [O-]c1c(F)cc(CN2CC[C@@H](c3ccncc3)C2)cc1F ZINC001140989917 804562958 /nfs/dbraw/zinc/56/29/58/804562958.db2.gz GTJHMGKXRPZGEN-CYBMUJFWSA-N -1 3 290.313 3.055 20 0 CGADHM Cc1cc(C(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)c(C)s1 ZINC001141302017 804628041 /nfs/dbraw/zinc/62/80/41/804628041.db2.gz LHCKNBWKCYOODY-UHFFFAOYSA-N -1 3 287.344 3.199 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)CCCCc1ccccc1 ZINC001141517553 804649576 /nfs/dbraw/zinc/64/95/76/804649576.db2.gz AEIIEYJNVSQXCR-AWEZNQCLSA-N -1 3 263.381 3.493 20 0 CGADHM [O-]c1cc(Cl)c(CN2CCOC3(CC3)C2)c(Cl)c1 ZINC001142118723 804696517 /nfs/dbraw/zinc/69/65/17/804696517.db2.gz XXVDWRNZSQXQNH-UHFFFAOYSA-N -1 3 288.174 3.064 20 0 CGADHM CN(Cc1c(Cl)cc([O-])cc1Cl)CC(F)F ZINC001142122023 804696530 /nfs/dbraw/zinc/69/65/30/804696530.db2.gz GBBILPMJFILUDP-UHFFFAOYSA-N -1 3 270.106 3.396 20 0 CGADHM Cc1cc(-c2noc(Cc3ccc([O-])c(F)c3)n2)cnc1C ZINC001247564485 804775739 /nfs/dbraw/zinc/77/57/39/804775739.db2.gz KMXSLCNCWAZYTP-UHFFFAOYSA-N -1 3 299.305 3.184 20 0 CGADHM Cc1cc(C)c(-c2noc(Cc3ccc([O-])cc3F)n2)cn1 ZINC001248143213 804886416 /nfs/dbraw/zinc/88/64/16/804886416.db2.gz ITDHJGBIHUBMRI-UHFFFAOYSA-N -1 3 299.305 3.184 20 0 CGADHM C[C@@H](Oc1ccccc1)C(=O)Nc1cc([O-])cc(Cl)c1 ZINC001144497728 804995692 /nfs/dbraw/zinc/99/56/92/804995692.db2.gz MRPMJDPIHONKNN-SNVBAGLBSA-N -1 3 291.734 3.452 20 0 CGADHM C[C@@]1(F)CCCN(Cc2c(F)cc([O-])cc2F)CC1 ZINC001144542215 805001943 /nfs/dbraw/zinc/00/19/43/805001943.db2.gz STZFMXSPTHKVJF-CQSZACIVSA-N -1 3 273.298 3.385 20 0 CGADHM [O-]c1cc(F)c(CN2CC3CCC(CC3)C2)c(F)c1 ZINC001144562115 805007230 /nfs/dbraw/zinc/00/72/30/805007230.db2.gz ZDMQQDCEECSBEL-UHFFFAOYSA-N -1 3 267.319 3.292 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2ccc(C(C)(C)C)nc2)n1 ZINC001147796503 805151268 /nfs/dbraw/zinc/15/12/68/805151268.db2.gz MYQGBIYZLUTZIB-UHFFFAOYSA-N -1 3 285.347 3.040 20 0 CGADHM CC(C)c1ccc(C(=O)N2CC[C@@H]3[C@H](C2)C3(F)F)c([O-])c1 ZINC001148407884 805179891 /nfs/dbraw/zinc/17/98/91/805179891.db2.gz SHLSSGIDMNOASA-OLZOCXBDSA-N -1 3 295.329 3.243 20 0 CGADHM CC(C)c1ccc(C(=O)N[C@@]2(C)CC2(C)C)c([O-])c1 ZINC001148496374 805190235 /nfs/dbraw/zinc/19/02/35/805190235.db2.gz CCBHLPNTNIYNQL-INIZCTEOSA-N -1 3 261.365 3.434 20 0 CGADHM O=C([O-])c1c(F)ccc(CN2C[C@@H]3CCCC[C@H]3C2)c1F ZINC001249761090 805235787 /nfs/dbraw/zinc/23/57/87/805235787.db2.gz RRKYUXDRWNTZTQ-QWRGUYRKSA-N -1 3 295.329 3.285 20 0 CGADHM Cc1cc2cc(C(=O)Nc3ncccc3[O-])ccc2o1 ZINC001150737887 805265458 /nfs/dbraw/zinc/26/54/58/805265458.db2.gz HYJNXCZRMJYNDI-UHFFFAOYSA-N -1 3 268.272 3.094 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2cc3c(cccc3C)[nH]2)n1 ZINC001151069821 805279883 /nfs/dbraw/zinc/27/98/83/805279883.db2.gz RRQAYSIOWZBNBF-UHFFFAOYSA-N -1 3 281.315 3.138 20 0 CGADHM O=C(/C=C/COc1ccccc1)Nc1cccc([O-])c1F ZINC001151092250 805282216 /nfs/dbraw/zinc/28/22/16/805282216.db2.gz CYYGXVSWHVTQSJ-BJMVGYQFSA-N -1 3 287.290 3.105 20 0 CGADHM Cc1ccnc(F)c1[N-]c1cc(C(F)(F)F)no1 ZINC001212554800 815066594 /nfs/dbraw/zinc/06/65/94/815066594.db2.gz OMHJHFKCUCVEJR-UHFFFAOYSA-N -1 3 261.178 3.280 20 0 CGADHM Cc1ccc(Cl)cc1-c1noc(-c2ccc([O-])cn2)n1 ZINC001212557779 815068553 /nfs/dbraw/zinc/06/85/53/815068553.db2.gz ABDDHCRNPMIZCZ-UHFFFAOYSA-N -1 3 287.706 3.466 20 0 CGADHM Cc1ccnc(F)c1Nc1cc(F)c(F)cc1[O-] ZINC001212559331 815069131 /nfs/dbraw/zinc/06/91/31/815069131.db2.gz JIVOKZFFQMGWQV-UHFFFAOYSA-N -1 3 254.211 3.257 20 0 CGADHM CN(C[C@H]1CC1(C)C)C(=O)c1c(O)cc2ccccc2c1[O-] ZINC001154025141 805427459 /nfs/dbraw/zinc/42/74/59/805427459.db2.gz BBYJCWKVBZEHGJ-GFCCVEGCSA-N -1 3 299.370 3.369 20 0 CGADHM O=C(N[C@H]1CC=CCC1)c1c(O)cc2ccccc2c1[O-] ZINC001154029607 805428393 /nfs/dbraw/zinc/42/83/93/805428393.db2.gz BKXSMWWVVPABGN-LBPRGKRZSA-N -1 3 283.327 3.090 20 0 CGADHM CCCCCC[C@@H](O)CCC(=O)[N-]Oc1ccccc1F ZINC001154220605 805440564 /nfs/dbraw/zinc/44/05/64/805440564.db2.gz VTULRKOLCKLDHF-CYBMUJFWSA-N -1 3 297.370 3.347 20 0 CGADHM Cc1nc2c(C)cc(Nc3ccc(Cl)c([O-])c3)cn2n1 ZINC001212589359 815078079 /nfs/dbraw/zinc/07/80/79/815078079.db2.gz HMYBIMHJNTYIJF-UHFFFAOYSA-N -1 3 288.738 3.449 20 0 CGADHM [O-]c1cc(Nc2ncncc2Cl)ccc1Cl ZINC001212588648 815078334 /nfs/dbraw/zinc/07/83/34/815078334.db2.gz WQCYYHDLALYQIA-UHFFFAOYSA-N -1 3 256.092 3.233 20 0 CGADHM O=C1NCc2c1cccc2Nc1ccc(Cl)c([O-])c1 ZINC001212591381 815079343 /nfs/dbraw/zinc/07/93/43/815079343.db2.gz JJHKMKAFMHFZCD-UHFFFAOYSA-N -1 3 274.707 3.033 20 0 CGADHM CNC(=O)c1ccc(F)c(Nc2ccc(Cl)c([O-])c2)c1 ZINC001212593139 815079764 /nfs/dbraw/zinc/07/97/64/815079764.db2.gz FMOILCVWZYIZIQ-UHFFFAOYSA-N -1 3 294.713 3.288 20 0 CGADHM Nc1ccc(-c2nccn2-c2ccc(Cl)c([O-])c2)cc1 ZINC001212593055 815079851 /nfs/dbraw/zinc/07/98/51/815079851.db2.gz BUBWYKURDZDWJH-UHFFFAOYSA-N -1 3 285.734 3.481 20 0 CGADHM CC(=O)Nc1ccc(O)c(Nc2ccc(Cl)c([O-])c2)c1 ZINC001212595520 815080851 /nfs/dbraw/zinc/08/08/51/815080851.db2.gz XPQOIOJAJJWMTF-UHFFFAOYSA-N -1 3 292.722 3.453 20 0 CGADHM Cc1c(Cl)c(CCN2CCCCC2)ccc1C(=O)[O-] ZINC001250241781 805514491 /nfs/dbraw/zinc/51/44/91/805514491.db2.gz HXPDONPSYOZBNB-UHFFFAOYSA-N -1 3 281.783 3.375 20 0 CGADHM Nc1ccccc1-c1nccn1-c1ccc(Cl)c([O-])c1 ZINC001212593747 815081427 /nfs/dbraw/zinc/08/14/27/815081427.db2.gz IGQPIBYKPZEKIE-UHFFFAOYSA-N -1 3 285.734 3.481 20 0 CGADHM [O-]C(=Cc1c(F)cc(CO)cc1F)c1ccc(F)cc1F ZINC001250250149 805520838 /nfs/dbraw/zinc/52/08/38/805520838.db2.gz ADJNMYFZEZCLFS-UHFFFAOYSA-N -1 3 298.235 3.161 20 0 CGADHM O=C(Nc1ccc(F)c([O-])c1)c1cccc2cc(O)cnc21 ZINC001155105573 805540137 /nfs/dbraw/zinc/54/01/37/805540137.db2.gz UOWBJHYJKJOKMB-UHFFFAOYSA-N -1 3 298.273 3.037 20 0 CGADHM O=c1[n-]c(-c2nnc(CCC3CCCCC3)o2)ccc1F ZINC001256847034 806990966 /nfs/dbraw/zinc/99/09/66/806990966.db2.gz WGLQWSFUXXAHTR-UHFFFAOYSA-N -1 3 291.326 3.489 20 0 CGADHM Cc1cccc(C(=O)Nc2ccc3c(c2)COC(=O)N3)c1[O-] ZINC001166814689 807102932 /nfs/dbraw/zinc/10/29/32/807102932.db2.gz ARQHBIOWABFUMY-UHFFFAOYSA-N -1 3 298.298 3.015 20 0 CGADHM CC(C)(C)Cc1nnc(-c2cnc(C(F)(F)F)[n-]2)o1 ZINC001257885168 807237936 /nfs/dbraw/zinc/23/79/36/807237936.db2.gz LNXUOMAMSWTFJA-UHFFFAOYSA-N -1 3 274.246 3.067 20 0 CGADHM CC(C)(C)Cc1nnc(-c2c[n-]c(C(F)(F)F)n2)o1 ZINC001257885168 807237942 /nfs/dbraw/zinc/23/79/42/807237942.db2.gz LNXUOMAMSWTFJA-UHFFFAOYSA-N -1 3 274.246 3.067 20 0 CGADHM Cc1cc(O)cc([O-])c1-c1nnc(CC(C)(C)C)o1 ZINC001257903445 807248486 /nfs/dbraw/zinc/24/84/86/807248486.db2.gz LFHSNCQURCXNEO-UHFFFAOYSA-N -1 3 262.309 3.045 20 0 CGADHM CCCOc1ccc(-c2noc(-c3cncc([O-])c3)n2)cc1 ZINC001212709662 815110177 /nfs/dbraw/zinc/11/01/77/815110177.db2.gz HBYBXCSRCZQWJI-UHFFFAOYSA-N -1 3 297.314 3.293 20 0 CGADHM C=Cc1ccc(CNc2ccccc2-c2nnn[n-]2)cc1 ZINC001168578366 807450353 /nfs/dbraw/zinc/45/03/53/807450353.db2.gz PMGPWDFUWQBANF-UHFFFAOYSA-N -1 3 277.331 3.122 20 0 CGADHM C=Cc1ccc(CNc2ccccc2-c2nn[n-]n2)cc1 ZINC001168578366 807450357 /nfs/dbraw/zinc/45/03/57/807450357.db2.gz PMGPWDFUWQBANF-UHFFFAOYSA-N -1 3 277.331 3.122 20 0 CGADHM CCCOc1ccc(C)c(NCc2ncccc2[O-])c1 ZINC001169731136 807700275 /nfs/dbraw/zinc/70/02/75/807700275.db2.gz BYRWZDXODYJXLC-UHFFFAOYSA-N -1 3 272.348 3.497 20 0 CGADHM CC[C@@H](C)S(=O)(=O)[N-]c1cc(Cl)c(F)cc1OC ZINC001260743062 807704526 /nfs/dbraw/zinc/70/45/26/807704526.db2.gz IRSXHWGHTUBMIT-SSDOTTSWSA-N -1 3 295.763 3.028 20 0 CGADHM O=C(CNc1ccc2c(c1)[N-]C(=S)C2)Cc1ccccc1 ZINC001170187090 807789394 /nfs/dbraw/zinc/78/93/94/807789394.db2.gz IMCRCYUVDNTBLX-UHFFFAOYSA-N -1 3 296.395 3.206 20 0 CGADHM Cc1noc(C)c1[N-]C(=O)c1cc2c(ccnc2Cl)o1 ZINC001264813900 808095451 /nfs/dbraw/zinc/09/54/51/808095451.db2.gz MRIULAPCUUTSEG-UHFFFAOYSA-N -1 3 291.694 3.338 20 0 CGADHM Cc1nsc([N-]c2cc(F)nc(C(F)(F)F)c2)n1 ZINC001213005268 815197624 /nfs/dbraw/zinc/19/76/24/815197624.db2.gz XXCZCMWBRRWXSD-UHFFFAOYSA-N -1 3 278.234 3.143 20 0 CGADHM CCCC[C@@H](CC(C)C)[NH2+]CCCCP(=O)([O-])[O-] ZINC001173251391 808557842 /nfs/dbraw/zinc/55/78/42/808557842.db2.gz BLPDJIZVGUMEOZ-ZDUSSCGKSA-N -1 3 279.361 3.139 20 0 CGADHM COC(=O)c1c(C)cc(Nc2ncc(F)cc2[O-])cc1C ZINC001213123031 815241676 /nfs/dbraw/zinc/24/16/76/815241676.db2.gz POFQZMQFBKRMAF-UHFFFAOYSA-N -1 3 290.294 3.073 20 0 CGADHM CC(=O)NCc1ccc(Nc2ccc([O-])c(Cl)c2)cc1 ZINC001174231754 808916680 /nfs/dbraw/zinc/91/66/80/808916680.db2.gz MHFGTMYSYNETQG-UHFFFAOYSA-N -1 3 290.750 3.425 20 0 CGADHM Cc1nc(Nc2cccc(N3CCCCC3)c2)cc(=O)[n-]1 ZINC001174301487 808942192 /nfs/dbraw/zinc/94/21/92/808942192.db2.gz BDZDMYKODRXLMI-UHFFFAOYSA-N -1 3 284.363 3.225 20 0 CGADHM Cn1nc(C(F)(F)F)cc1Nc1cc(F)c(F)cc1[O-] ZINC001174327387 808952718 /nfs/dbraw/zinc/95/27/18/808952718.db2.gz KKOQRUZNVARUMI-UHFFFAOYSA-N -1 3 293.195 3.166 20 0 CGADHM Cc1c(Nc2cc(Cl)c([O-])cc2Cl)cnn1C ZINC001174390281 808989356 /nfs/dbraw/zinc/98/93/56/808989356.db2.gz CCJKXPAMUKBAKK-UHFFFAOYSA-N -1 3 272.135 3.485 20 0 CGADHM CCc1cccc(Nc2cc(F)c([O-])c(F)c2)n1 ZINC001213375065 815272370 /nfs/dbraw/zinc/27/23/70/815272370.db2.gz NTZIRQWTZJWREK-UHFFFAOYSA-N -1 3 250.248 3.371 20 0 CGADHM O=c1[nH]c2cc(Nc3cc(F)c([O-])c(F)c3)ccc2o1 ZINC001213386634 815275490 /nfs/dbraw/zinc/27/54/90/815275490.db2.gz MUNQTLSMWVXDBI-UHFFFAOYSA-N -1 3 278.214 3.261 20 0 CGADHM C[C@@H](O)c1cccc(Nc2c(F)ccc([O-])c2F)c1 ZINC001175264148 809329636 /nfs/dbraw/zinc/32/96/36/809329636.db2.gz BBCCVZGYWFIXBP-MRVPVSSYSA-N -1 3 265.259 3.467 20 0 CGADHM O=C1CCc2cc(Nc3c(F)ccc([O-])c3F)ccc2N1 ZINC001175268227 809332278 /nfs/dbraw/zinc/33/22/78/809332278.db2.gz OFYFLBBDOUFYLM-UHFFFAOYSA-N -1 3 290.269 3.299 20 0 CGADHM Nc1ccc2cn(-c3c(F)ccc([O-])c3F)nc2c1Cl ZINC001175271130 809334498 /nfs/dbraw/zinc/33/44/98/809334498.db2.gz SULMBNHKBGEPHM-UHFFFAOYSA-N -1 3 295.676 3.245 20 0 CGADHM COc1cc(Nc2cc(=O)n(-c3ccccc3)[n-]2)ccc1F ZINC001175396101 809390677 /nfs/dbraw/zinc/39/06/77/809390677.db2.gz VYNWLEVWYOCIMM-UHFFFAOYSA-N -1 3 299.305 3.469 20 0 CGADHM Cn1ncc2cc(Nc3cc(F)c([O-])c(F)c3)ccc21 ZINC001175420933 809398795 /nfs/dbraw/zinc/39/87/95/809398795.db2.gz HLGALOVDQIDTFY-UHFFFAOYSA-N -1 3 275.258 3.301 20 0 CGADHM Cc1cc(Nc2ccc(-c3nn[n-]n3)cc2)cc(F)c1F ZINC001175432438 809402839 /nfs/dbraw/zinc/40/28/39/809402839.db2.gz NCTJLBZZXDHUHL-UHFFFAOYSA-N -1 3 287.273 3.197 20 0 CGADHM Clc1nc(Br)cnc1[N-]c1cncs1 ZINC001175495163 809430335 /nfs/dbraw/zinc/43/03/35/809430335.db2.gz IRBFRVIDBBAEHN-UHFFFAOYSA-N -1 3 291.561 3.093 20 0 CGADHM COc1cccc([O-])c1C(=O)N[C@H]1CCC(C)(C)C[C@@H]1C ZINC001294397666 809468574 /nfs/dbraw/zinc/46/85/74/809468574.db2.gz VWENAGZSIJHMEZ-RYUDHWBXSA-N -1 3 291.391 3.345 20 0 CGADHM CSc1ccc([O-])c(C(=O)NCCSC(C)(C)C)c1 ZINC001295393887 809486082 /nfs/dbraw/zinc/48/60/82/809486082.db2.gz MTGILTXTECKEQW-UHFFFAOYSA-N -1 3 299.461 3.376 20 0 CGADHM O=C(Nc1c([O-])cccc1Cl)c1cnc(C2CC2)o1 ZINC001298550206 809533851 /nfs/dbraw/zinc/53/38/51/809533851.db2.gz HHXYAYZHJIUBDQ-UHFFFAOYSA-N -1 3 278.695 3.163 20 0 CGADHM COCCOc1ccc(Nc2cc([O-])c(F)cc2F)cc1 ZINC001175785740 809542281 /nfs/dbraw/zinc/54/22/81/809542281.db2.gz QPMYLPJYTOGOEZ-UHFFFAOYSA-N -1 3 295.285 3.439 20 0 CGADHM O=C([O-])c1cncc(Nc2ccnc(C3CCC3)c2)c1 ZINC001175841278 809553145 /nfs/dbraw/zinc/55/31/45/809553145.db2.gz XLPRJIGNUXUQLY-UHFFFAOYSA-N -1 3 269.304 3.186 20 0 CGADHM CCCCCCC(=O)Nc1cc(C(=O)OC(C)(C)C)n[n-]1 ZINC001299811614 809555842 /nfs/dbraw/zinc/55/58/42/809555842.db2.gz SRHHPRFEQNSWFB-UHFFFAOYSA-N -1 3 295.383 3.274 20 0 CGADHM CCCCCCC(=O)Nc1cc(C(=O)OC(C)(C)C)[n-]n1 ZINC001299811614 809555846 /nfs/dbraw/zinc/55/58/46/809555846.db2.gz SRHHPRFEQNSWFB-UHFFFAOYSA-N -1 3 295.383 3.274 20 0 CGADHM Cn1ccc2c1cccc2Nc1ncc(F)cc1[O-] ZINC001175867062 809561255 /nfs/dbraw/zinc/56/12/55/809561255.db2.gz SNXTVGZTXFTRTF-UHFFFAOYSA-N -1 3 257.268 3.162 20 0 CGADHM CCc1coc([N-]C(=O)c2nc(Cl)sc2Cl)n1 ZINC001303258355 809606853 /nfs/dbraw/zinc/60/68/53/809606853.db2.gz UJQGTWRWJZEYTQ-UHFFFAOYSA-N -1 3 292.147 3.253 20 0 CGADHM Cc1cc(N=c2nc(C(C)(C)C)[n-]s2)cc(C)n1 ZINC001176052752 809608994 /nfs/dbraw/zinc/60/89/94/809608994.db2.gz SPMOLGLIJTZSIA-UHFFFAOYSA-N -1 3 262.382 3.013 20 0 CGADHM O=c1cc(Nc2cc(O)cc(Cl)c2)nc(C2CC2)[n-]1 ZINC001176622823 809732875 /nfs/dbraw/zinc/73/28/75/809732875.db2.gz YYSYURMCHLMAHB-UHFFFAOYSA-N -1 3 277.711 3.162 20 0 CGADHM O=C(Nc1ccc(F)c([O-])c1)[C@@H]1C[C@@H]1c1cccs1 ZINC001177546537 809807580 /nfs/dbraw/zinc/80/75/80/809807580.db2.gz RSYMJGHJAFOULU-VHSXEESVSA-N -1 3 277.320 3.335 20 0 CGADHM CCOc1cccc(-c2noc(-c3nc(C)ccc3[O-])n2)c1 ZINC001213698241 815322658 /nfs/dbraw/zinc/32/26/58/815322658.db2.gz RMCGZVZVGCNSEH-UHFFFAOYSA-N -1 3 297.314 3.211 20 0 CGADHM Cc1cc(C)cc(-c2noc(-c3nc(C)ccc3[O-])n2)c1 ZINC001213698302 815322795 /nfs/dbraw/zinc/32/27/95/815322795.db2.gz UQDBJNNMEJPLKW-UHFFFAOYSA-N -1 3 281.315 3.429 20 0 CGADHM Cc1ccc([O-])c(-c2nc(-c3ccc(F)c(C)c3)no2)n1 ZINC001213697818 815323213 /nfs/dbraw/zinc/32/32/13/815323213.db2.gz FKSDTSLGBDMOOY-UHFFFAOYSA-N -1 3 285.278 3.260 20 0 CGADHM Cc1ccc([O-])c(-c2nc(-c3ncccc3C3CC3)no2)n1 ZINC001213699802 815323391 /nfs/dbraw/zinc/32/33/91/815323391.db2.gz XKKHFLZFNRCNNH-UHFFFAOYSA-N -1 3 294.314 3.085 20 0 CGADHM Cc1ccccc1O[C@H](C)C(=O)Nc1ccc(F)c([O-])c1 ZINC001180525364 810007911 /nfs/dbraw/zinc/00/79/11/810007911.db2.gz ZRLFFPJREMJXPP-LLVKDONJSA-N -1 3 289.306 3.246 20 0 CGADHM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1C(=O)NCc1ncccc1[O-] ZINC001183914286 810168817 /nfs/dbraw/zinc/16/88/17/810168817.db2.gz DOUSUKCGUIYRNQ-HZSPNIEDSA-N -1 3 290.407 3.112 20 0 CGADHM Cc1ccccc1Sc1cc(Cl)nc(=O)[n-]1 ZINC001184983299 810227668 /nfs/dbraw/zinc/22/76/68/810227668.db2.gz RRMHACRTRQPMIU-UHFFFAOYSA-N -1 3 252.726 3.295 20 0 CGADHM Cc1cc(F)c([N-]S(=O)(=O)c2ccsc2)cc1F ZINC001185390275 810260684 /nfs/dbraw/zinc/26/06/84/810260684.db2.gz BSGNJHRDEFQSHE-UHFFFAOYSA-N -1 3 289.328 3.136 20 0 CGADHM Cc1cc([O-])ccc1C(=O)Nc1cccc2c1C(=O)CCC2 ZINC001186191529 810319922 /nfs/dbraw/zinc/31/99/22/810319922.db2.gz HLIMBOZWGCBUFS-UHFFFAOYSA-N -1 3 295.338 3.472 20 0 CGADHM O=C(NCCc1ccc(F)cc1)Nc1cc(F)ccc1[O-] ZINC001186275489 810325436 /nfs/dbraw/zinc/32/54/36/810325436.db2.gz JJASZGCYGJKHED-UHFFFAOYSA-N -1 3 292.285 3.035 20 0 CGADHM Cc1ncc(Nc2cc(F)cc(C)c2Cl)c(=O)[n-]1 ZINC001214073636 815364680 /nfs/dbraw/zinc/36/46/80/815364680.db2.gz RVSGUUSDGTYENS-UHFFFAOYSA-N -1 3 267.691 3.335 20 0 CGADHM CCCc1onc(C)c1C(=O)Nc1ccc(F)c([O-])c1 ZINC001187940816 810434473 /nfs/dbraw/zinc/43/44/73/810434473.db2.gz CEHRSJNMSUPIFD-UHFFFAOYSA-N -1 3 278.283 3.033 20 0 CGADHM Cc1cccc([O-])c1C(=O)Nc1cnccc1C1CC1 ZINC001188639050 810496962 /nfs/dbraw/zinc/49/69/62/810496962.db2.gz VKEXEOIOFKYNRE-UHFFFAOYSA-N -1 3 268.316 3.225 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H](C(C)C)CC2)o1 ZINC001189464699 810571886 /nfs/dbraw/zinc/57/18/86/810571886.db2.gz JJRJHLXOYGKFAP-UONOGXRCSA-N -1 3 299.436 3.471 20 0 CGADHM Nc1ccc(F)cc1Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001214200153 815382838 /nfs/dbraw/zinc/38/28/38/815382838.db2.gz ORNBHLNSKPBFAO-UHFFFAOYSA-N -1 3 284.294 3.043 20 0 CGADHM Cc1ccc(NC(=O)Nc2ccccn2)c(Cl)c1[O-] ZINC001191334770 810703287 /nfs/dbraw/zinc/70/32/87/810703287.db2.gz GHNRRCHCSGRWDY-UHFFFAOYSA-N -1 3 277.711 3.393 20 0 CGADHM CC(C)(C)c1ccc(C(=O)N2CCn3cccc3C2)c([O-])c1 ZINC001192327572 810787746 /nfs/dbraw/zinc/78/77/46/810787746.db2.gz XLYNXMWNLBCWQT-UHFFFAOYSA-N -1 3 298.386 3.147 20 0 CGADHM Cc1cc(C(=O)Nc2cc([O-])cc(Cl)c2)nc(Cl)n1 ZINC001192817208 810823513 /nfs/dbraw/zinc/82/35/13/810823513.db2.gz XUJYOLBQUGMNRA-UHFFFAOYSA-N -1 3 298.129 3.050 20 0 CGADHM O=C(Nc1ccc(F)c([O-])c1)OC1CCCCC1 ZINC001193629064 810923533 /nfs/dbraw/zinc/92/35/33/810923533.db2.gz BYFHGJKPDKGJMH-UHFFFAOYSA-N -1 3 253.273 3.413 20 0 CGADHM CCCCCOC(=O)Nc1c([O-])cccc1C(C)=O ZINC001193769804 810952122 /nfs/dbraw/zinc/95/21/22/810952122.db2.gz NLTJEISEOMPDPO-UHFFFAOYSA-N -1 3 265.309 3.334 20 0 CGADHM CC(C)COC(=O)N=c1[nH]c2c(cccc2[O-])s1 ZINC001193795260 810958598 /nfs/dbraw/zinc/95/85/98/810958598.db2.gz XVHHGBCTLGALIZ-UHFFFAOYSA-N -1 3 266.322 3.206 20 0 CGADHM Cc1cc(O)cc([O-])c1C(=O)N1CCc2ccccc2[C@H]1C ZINC001193910823 810977357 /nfs/dbraw/zinc/97/73/57/810977357.db2.gz DUINVDPMQQDVAQ-GFCCVEGCSA-N -1 3 297.354 3.166 20 0 CGADHM COc1ccncc1Nc1c(Cl)ccc([O-])c1F ZINC001214556267 815423331 /nfs/dbraw/zinc/42/33/31/815423331.db2.gz NUGXZALDJVSASB-UHFFFAOYSA-N -1 3 268.675 3.332 20 0 CGADHM CC(=O)Nc1cc(Nc2c(Cl)ccc([O-])c2F)ccn1 ZINC001214556044 815423483 /nfs/dbraw/zinc/42/34/83/815423483.db2.gz HPLTYGLVLBOEJG-UHFFFAOYSA-N -1 3 295.701 3.282 20 0 CGADHM [O-]c1ccc(Cl)c(Nc2cnc3c(c2)COCC3)c1F ZINC001214554636 815423492 /nfs/dbraw/zinc/42/34/92/815423492.db2.gz XFLMSJKNJYKFTH-UHFFFAOYSA-N -1 3 294.713 3.396 20 0 CGADHM Nc1cn(-c2c(Cl)ccc([O-])c2F)c2ncccc12 ZINC001214556049 815423674 /nfs/dbraw/zinc/42/36/74/815423674.db2.gz HYJXXEYQFWDKTA-UHFFFAOYSA-N -1 3 277.686 3.106 20 0 CGADHM CC[C@H](C)COC(=O)Nc1c([O-])cccc1C(C)=O ZINC001194804155 811139585 /nfs/dbraw/zinc/13/95/85/811139585.db2.gz IHUFXBRVWLSQFI-VIFPVBQESA-N -1 3 265.309 3.189 20 0 CGADHM O=C1Cc2cc(Nc3c(Cl)ccc([O-])c3F)ccc2N1 ZINC001214559200 815424387 /nfs/dbraw/zinc/42/43/87/815424387.db2.gz JLNFXLJWRSVYBN-UHFFFAOYSA-N -1 3 292.697 3.423 20 0 CGADHM CC(C)N(c1ncc(N)cn1)c1c(F)c([O-])ccc1Cl ZINC001214558178 815424792 /nfs/dbraw/zinc/42/47/92/815424792.db2.gz RCUZHDXXQXORGR-UHFFFAOYSA-N -1 3 296.733 3.103 20 0 CGADHM O=C(Nc1cc([O-])cc(Cl)c1)c1c[nH]c(=O)cc1Cl ZINC001195003839 811182945 /nfs/dbraw/zinc/18/29/45/811182945.db2.gz GVAQDPWNLRKLBL-UHFFFAOYSA-N -1 3 299.113 3.052 20 0 CGADHM [O-]c1ccc(Nc2cccc(F)c2CO)cc1Cl ZINC001214614947 815432466 /nfs/dbraw/zinc/43/24/66/815432466.db2.gz DPWVUXBKXHRNSX-UHFFFAOYSA-N -1 3 267.687 3.421 20 0 CGADHM Cc1cc(NS(=O)(=O)c2ccc([O-])cc2)cc(C)c1C ZINC001195797124 811292388 /nfs/dbraw/zinc/29/23/88/811292388.db2.gz YCFQEWPSSJLHRN-UHFFFAOYSA-N -1 3 291.372 3.118 20 0 CGADHM Cc1cc([N-]S(=O)(=O)c2ccc(O)cc2)cc(C)c1C ZINC001195797124 811292394 /nfs/dbraw/zinc/29/23/94/811292394.db2.gz YCFQEWPSSJLHRN-UHFFFAOYSA-N -1 3 291.372 3.118 20 0 CGADHM NC(=O)c1c(F)cc(Nc2cccc(Cl)c2[O-])cc1F ZINC001214917466 815459788 /nfs/dbraw/zinc/45/97/88/815459788.db2.gz CIIWAYDOYDMLRE-UHFFFAOYSA-N -1 3 298.676 3.166 20 0 CGADHM [O-]c1cc(Cl)ccc1NC(=S)Nc1cccnc1 ZINC001199899014 811605523 /nfs/dbraw/zinc/60/55/23/811605523.db2.gz QGHVQSLVHYMQCV-UHFFFAOYSA-N -1 3 279.752 3.250 20 0 CGADHM [O-]c1cccc(Cl)c1NC(=S)Nc1cccnc1 ZINC001199901429 811606997 /nfs/dbraw/zinc/60/69/97/811606997.db2.gz LJGJCLLONWIYOE-UHFFFAOYSA-N -1 3 279.752 3.250 20 0 CGADHM CC[C@@H](C)NC(=S)Nc1c([O-])cccc1C(F)(F)F ZINC001200486688 811703703 /nfs/dbraw/zinc/70/37/03/811703703.db2.gz GPVHVNWSBDLABV-SSDOTTSWSA-N -1 3 292.326 3.496 20 0 CGADHM CC(=O)c1ccc(Nc2cncc([O-])c2)c(F)c1F ZINC001214978607 815471789 /nfs/dbraw/zinc/47/17/89/815471789.db2.gz OIZQTZQJVQOFMQ-UHFFFAOYSA-N -1 3 264.231 3.012 20 0 CGADHM CC(=O)c1ccc(Nc2ncc(F)cc2[O-])c(F)c1F ZINC001214980565 815472046 /nfs/dbraw/zinc/47/20/46/815472046.db2.gz PYPFCMAFXYVZJF-UHFFFAOYSA-N -1 3 282.221 3.151 20 0 CGADHM [O-]c1cnc(NC(=S)Nc2ccccc2)c(Cl)c1 ZINC001200833362 811751584 /nfs/dbraw/zinc/75/15/84/811751584.db2.gz YGTCIIIJPNWZBN-UHFFFAOYSA-N -1 3 279.752 3.250 20 0 CGADHM [O-]c1c(F)cc(Br)cc1Nc1cncc(O)c1 ZINC001201642479 811928537 /nfs/dbraw/zinc/92/85/37/811928537.db2.gz VEKJBDSTYRGPFW-UHFFFAOYSA-N -1 3 299.099 3.138 20 0 CGADHM CC(=O)c1cccc([O-])c1NC(=O)Nc1ccccc1F ZINC001202002446 811994444 /nfs/dbraw/zinc/99/44/44/811994444.db2.gz WDTSAASLPXUPHU-UHFFFAOYSA-N -1 3 288.278 3.378 20 0 CGADHM COc1ccccc1NC(=O)Nc1ncc([O-])cc1Cl ZINC001202118969 812019512 /nfs/dbraw/zinc/01/95/12/812019512.db2.gz SHCSJMCLIHRZMA-UHFFFAOYSA-N -1 3 293.710 3.093 20 0 CGADHM CC(C)(C)NC(=O)Nc1c([O-])cccc1Br ZINC001202478698 812103418 /nfs/dbraw/zinc/10/34/18/812103418.db2.gz JUSSZKFAXJYPPO-UHFFFAOYSA-N -1 3 287.157 3.075 20 0 CGADHM [O-]c1cccc(Nc2cccc(CCO)c2)c1Cl ZINC001203116625 812245241 /nfs/dbraw/zinc/24/52/41/812245241.db2.gz AHDVAVJYJACKKZ-UHFFFAOYSA-N -1 3 263.724 3.324 20 0 CGADHM CCOC(=O)c1cnoc1[N-]c1cc(F)ccc1SC ZINC001215446156 815519710 /nfs/dbraw/zinc/51/97/10/815519710.db2.gz FBQIHYCVNBRIEB-UHFFFAOYSA-N -1 3 296.323 3.456 20 0 CGADHM CN1CCOc2cc(Nc3cccc(Cl)c3[O-])cnc21 ZINC001203489699 812373745 /nfs/dbraw/zinc/37/37/45/812373745.db2.gz TXOHXAQZWLPPSK-UHFFFAOYSA-N -1 3 291.738 3.013 20 0 CGADHM [O-]c1cc(F)cnc1Nc1cc(F)cc2[nH]ccc21 ZINC001203734183 812444809 /nfs/dbraw/zinc/44/48/09/812444809.db2.gz MYLFHUNJUCBITQ-UHFFFAOYSA-N -1 3 261.231 3.290 20 0 CGADHM COc1cc(Nc2cc(F)c([O-])cc2F)ncc1C ZINC001215572769 815538470 /nfs/dbraw/zinc/53/84/70/815538470.db2.gz VEWLRNYHJZABJY-UHFFFAOYSA-N -1 3 266.247 3.126 20 0 CGADHM COc1ccc(Cl)c(Nc2cc(F)c([O-])cc2F)n1 ZINC001215572748 815538688 /nfs/dbraw/zinc/53/86/88/815538688.db2.gz TWTRPESPFCSCRN-UHFFFAOYSA-N -1 3 286.665 3.471 20 0 CGADHM CCOC(=O)c1ccc(C)c(-c2ccc([O-])cc2F)n1 ZINC001206020954 813167911 /nfs/dbraw/zinc/16/79/11/813167911.db2.gz BIQOJGCATQBQQS-UHFFFAOYSA-N -1 3 275.279 3.078 20 0 CGADHM COc1nc(-c2ccc([O-])cc2F)ccc1-n1cnc(C)c1 ZINC001206051994 813182719 /nfs/dbraw/zinc/18/27/19/813182719.db2.gz WKDFXZLHKZZSSL-UHFFFAOYSA-N -1 3 299.305 3.096 20 0 CGADHM COC(=O)c1cccc(F)c1-c1ccc([O-])cc1F ZINC001206064593 813188574 /nfs/dbraw/zinc/18/85/74/813188574.db2.gz IZTYGQWEKIODJY-UHFFFAOYSA-N -1 3 264.227 3.124 20 0 CGADHM COc1nc(OC)c(-c2ccc([O-])cc2F)cc1SC ZINC001206088825 813196146 /nfs/dbraw/zinc/19/61/46/813196146.db2.gz PXPLXFYAMLQAGV-UHFFFAOYSA-N -1 3 295.335 3.332 20 0 CGADHM Nc1cc(Cl)cc2c1cnn2-c1ccc(F)cc1[O-] ZINC001210019690 814247711 /nfs/dbraw/zinc/24/77/11/814247711.db2.gz BMDXQYRHPKERMO-UHFFFAOYSA-N -1 3 277.686 3.106 20 0 CGADHM CC(C)c1nnc([N-]c2ccc3cccnc3c2)o1 ZINC001210054002 814266204 /nfs/dbraw/zinc/26/62/04/814266204.db2.gz UYSMANRNXBKSRL-UHFFFAOYSA-N -1 3 254.293 3.485 20 0 CGADHM COc1ccc(OC(F)(F)F)cc1[N-]c1nonc1C ZINC001210155380 814315633 /nfs/dbraw/zinc/31/56/33/814315633.db2.gz XMXWVRJYZBFCCQ-UHFFFAOYSA-N -1 3 289.213 3.029 20 0 CGADHM CCN(C)c1ncc(Nc2cccc(Cl)c2[O-])cn1 ZINC001210218632 814345918 /nfs/dbraw/zinc/34/59/18/814345918.db2.gz AXKLPLKIFMDQSY-UHFFFAOYSA-N -1 3 278.743 3.035 20 0 CGADHM COC(=O)c1cc(N)c(Nc2cccc(Cl)c2[O-])s1 ZINC001210219106 814346718 /nfs/dbraw/zinc/34/67/18/814346718.db2.gz OVKSGOBMYZPHOS-UHFFFAOYSA-N -1 3 298.751 3.220 20 0 CGADHM O=C1NCc2c1cccc2Nc1cccc(Cl)c1[O-] ZINC001210220208 814349504 /nfs/dbraw/zinc/34/95/04/814349504.db2.gz OVSITXURIWKVEQ-UHFFFAOYSA-N -1 3 274.707 3.033 20 0 CGADHM COc1cccc(CO)c1Nc1cccc(Cl)c1[O-] ZINC001210222998 814351168 /nfs/dbraw/zinc/35/11/68/814351168.db2.gz GREPHCWZWLUNDE-UHFFFAOYSA-N -1 3 279.723 3.290 20 0 CGADHM Cc1ccc(Nc2cc(=O)n(-c3ccccc3)[n-]2)cc1CO ZINC001210246922 814364663 /nfs/dbraw/zinc/36/46/63/814364663.db2.gz FLCPQHKVHISBGU-UHFFFAOYSA-N -1 3 295.342 3.122 20 0 CGADHM O=c1cc(Nc2ccc(OC(F)F)cc2)nc(C2CC2)[n-]1 ZINC001210325444 814407358 /nfs/dbraw/zinc/40/73/58/814407358.db2.gz SDODZONPVLWULF-UHFFFAOYSA-N -1 3 293.273 3.405 20 0 CGADHM [O-]c1ccc(Nc2cccc3c2OCCO3)c(F)c1F ZINC001210367198 814425933 /nfs/dbraw/zinc/42/59/33/814425933.db2.gz HVTOPDVOQDPXRN-UHFFFAOYSA-N -1 3 279.242 3.185 20 0 CGADHM CSc1cccc(F)c1[N-]c1noc2nccnc12 ZINC001215823208 815605385 /nfs/dbraw/zinc/60/53/85/815605385.db2.gz NLITXQDQBICVII-UHFFFAOYSA-N -1 3 276.296 3.222 20 0 CGADHM CCc1ncccc1Nc1cc([O-])c(F)cc1F ZINC001210468160 814474434 /nfs/dbraw/zinc/47/44/34/814474434.db2.gz PZVJJOUOIDEOMU-UHFFFAOYSA-N -1 3 250.248 3.371 20 0 CGADHM [O-]c1cccc(Nc2cn3ccccc3n2)c1Cl ZINC001210853880 814652219 /nfs/dbraw/zinc/65/22/19/814652219.db2.gz OCJATMCUPLMASW-UHFFFAOYSA-N -1 3 259.696 3.437 20 0 CGADHM CCN(C)c1ncc(Nc2cccc([O-])c2Cl)cn1 ZINC001210855798 814653603 /nfs/dbraw/zinc/65/36/03/814653603.db2.gz YJLJPGGKJBGKDK-UHFFFAOYSA-N -1 3 278.743 3.035 20 0 CGADHM CCOC(=O)c1cnoc1[N-]c1ccc(SC)cc1F ZINC001210869936 814658827 /nfs/dbraw/zinc/65/88/27/814658827.db2.gz QVSHMXWHWWUWEI-UHFFFAOYSA-N -1 3 296.323 3.456 20 0 CGADHM [O-]c1cc(F)c(Nc2ccc(F)c(O)c2)cc1F ZINC001211220641 814855309 /nfs/dbraw/zinc/85/53/09/814855309.db2.gz OFVPJHBHBIJMGU-UHFFFAOYSA-N -1 3 255.195 3.259 20 0 CGADHM CCCOc1ccccc1Nc1ccc(C(N)=O)c([O-])c1 ZINC001211385138 814888028 /nfs/dbraw/zinc/88/80/28/814888028.db2.gz DOBYROJSOMNDMN-UHFFFAOYSA-N -1 3 286.331 3.024 20 0 CGADHM Fc1ccc(-c2cccc(OC3CC3)c2)cc1-c1nnn[n-]1 ZINC001242806572 823139892 /nfs/dbraw/zinc/13/98/92/823139892.db2.gz HZSFSECUIHNDBV-UHFFFAOYSA-N -1 3 296.305 3.214 20 0 CGADHM Fc1ccc(-c2cccc(OC3CC3)c2)cc1-c1nn[n-]n1 ZINC001242806572 823139893 /nfs/dbraw/zinc/13/98/93/823139893.db2.gz HZSFSECUIHNDBV-UHFFFAOYSA-N -1 3 296.305 3.214 20 0 CGADHM CSc1cc(F)cc(Nc2cc(=O)[n-]c(C)n2)c1 ZINC001215902036 815624630 /nfs/dbraw/zinc/62/46/30/815624630.db2.gz GILVESCRFGKUMV-UHFFFAOYSA-N -1 3 265.313 3.095 20 0 CGADHM COCCOc1ccc(Nc2cccc(Cl)c2[O-])cn1 ZINC001216067421 815678567 /nfs/dbraw/zinc/67/85/67/815678567.db2.gz OMMAZWNRSFSYOP-UHFFFAOYSA-N -1 3 294.738 3.209 20 0 CGADHM CSc1ncc(C)cc1Nc1ncc(F)cc1[O-] ZINC001216240694 815752125 /nfs/dbraw/zinc/75/21/25/815752125.db2.gz BILQTUYEUZOVBT-UHFFFAOYSA-N -1 3 265.313 3.095 20 0 CGADHM COc1ccccc1-c1noc(-c2ccc([O-])cc2OC)n1 ZINC001217085558 815908775 /nfs/dbraw/zinc/90/87/75/815908775.db2.gz QOENYWUIDPIOFW-UHFFFAOYSA-N -1 3 298.298 3.126 20 0 CGADHM Cc1cc2[nH]ccc2c(-c2ccccc2C(=O)[O-])n1 ZINC001242877315 823161503 /nfs/dbraw/zinc/16/15/03/823161503.db2.gz ZXOWNLAVXNPDPL-UHFFFAOYSA-N -1 3 252.273 3.237 20 0 CGADHM [O-]c1cnc2ccccc2c1-c1nc(-c2ccncc2)no1 ZINC001217441543 815927324 /nfs/dbraw/zinc/92/73/24/815927324.db2.gz LZEKXNMYGQMNIW-UHFFFAOYSA-N -1 3 290.282 3.052 20 0 CGADHM COC(=O)c1nc2nc(-c3ccccc3SC)ccc2[n-]1 ZINC001242944008 823182768 /nfs/dbraw/zinc/18/27/68/823182768.db2.gz PIKMMCCSOMHHMB-UHFFFAOYSA-N -1 3 299.355 3.133 20 0 CGADHM COC(=O)c1nc2ccc(-c3ccccc3SC)[n-]c-2n1 ZINC001242944008 823182769 /nfs/dbraw/zinc/18/27/69/823182769.db2.gz PIKMMCCSOMHHMB-UHFFFAOYSA-N -1 3 299.355 3.133 20 0 CGADHM Cc1cccc2c1ncnc2-c1ccc(F)c([O-])c1 ZINC001243047103 823224602 /nfs/dbraw/zinc/22/46/02/823224602.db2.gz BFWFDGXEHDFMAZ-UHFFFAOYSA-N -1 3 254.264 3.450 20 0 CGADHM COC(=O)c1cc2cccc(-c3ccc(F)c([O-])c3)c2[nH]1 ZINC001243048953 823225379 /nfs/dbraw/zinc/22/53/79/823225379.db2.gz NFCWIUSZBVOEIB-UHFFFAOYSA-N -1 3 285.274 3.466 20 0 CGADHM [O-]c1cc(-c2ncnc3cc(F)c(F)cc32)ccc1F ZINC001243048642 823226070 /nfs/dbraw/zinc/22/60/70/823226070.db2.gz MPEQVEXOSXFSQA-UHFFFAOYSA-N -1 3 276.217 3.420 20 0 CGADHM COC(=O)c1cc(-c2ccc(F)c([O-])c2)ccc1C ZINC001243049535 823226416 /nfs/dbraw/zinc/22/64/16/823226416.db2.gz PSOGPIKJRBOVKR-UHFFFAOYSA-N -1 3 260.264 3.293 20 0 CGADHM [O-]c1cc(-c2ncnc3cccc(F)c32)ccc1F ZINC001243053943 823229039 /nfs/dbraw/zinc/22/90/39/823229039.db2.gz JAALIDQZBGUZAB-UHFFFAOYSA-N -1 3 258.227 3.281 20 0 CGADHM Cc1ccc2nc(-c3ccc(F)c([O-])c3)ccc2n1 ZINC001243053923 823229204 /nfs/dbraw/zinc/22/92/04/823229204.db2.gz IPSGSWSSNIDCCD-UHFFFAOYSA-N -1 3 254.264 3.450 20 0 CGADHM Cc1ccc2c(c1)ncnc2-c1ccc(F)c([O-])c1 ZINC001243053327 823229554 /nfs/dbraw/zinc/22/95/54/823229554.db2.gz BBDCUAYWSXOJGW-UHFFFAOYSA-N -1 3 254.264 3.450 20 0 CGADHM [O-]c1cc(-c2ccccc2N2CCOCC2)ccc1F ZINC001243061469 823232281 /nfs/dbraw/zinc/23/22/81/823232281.db2.gz FQJRPAFFIBWTHO-UHFFFAOYSA-N -1 3 273.307 3.035 20 0 CGADHM C[C@H](COCc1ccccc1)Oc1ccc2c([O-])coc2c1 ZINC001225342835 817017610 /nfs/dbraw/zinc/01/76/10/817017610.db2.gz MINRUUTYYQGCEI-CYBMUJFWSA-N -1 3 298.338 3.246 20 0 CGADHM C[C@@H]1CCC[C@@H](Oc2ccc3c([O-])coc3c2)[C@@H]1C ZINC001225341078 817017761 /nfs/dbraw/zinc/01/77/61/817017761.db2.gz XKSPXNACFUCLET-UEKVPHQBSA-N -1 3 260.333 3.465 20 0 CGADHM CC(C)[C@@H](C)Oc1cc(C(F)(F)F)[n-]c(=S)n1 ZINC001225851213 817196178 /nfs/dbraw/zinc/19/61/78/817196178.db2.gz SSRBXXSSNMFWSX-ZCFIWIBFSA-N -1 3 266.288 3.207 20 0 CGADHM CC(=O)c1ccc([O-])c(O[C@@H](C)c2cnc3ccccn32)c1 ZINC001225998100 817243734 /nfs/dbraw/zinc/24/37/34/817243734.db2.gz HRYCTKKWBCQLDQ-LBPRGKRZSA-N -1 3 296.326 3.383 20 0 CGADHM COc1ccc([C@@H](Oc2nc[n-]c(=O)c2C)C(C)C)cc1 ZINC001226075563 817266519 /nfs/dbraw/zinc/26/65/19/817266519.db2.gz HUNQLIYQZAWTEY-AWEZNQCLSA-N -1 3 288.347 3.275 20 0 CGADHM CC1(C)CC(=O)CC[C@H]1Oc1[n-]c(=S)ncc1C1CC1 ZINC001226119785 817278229 /nfs/dbraw/zinc/27/82/29/817278229.db2.gz OBXZRFCDRWEZSW-GFCCVEGCSA-N -1 3 292.404 3.169 20 0 CGADHM C[C@H](Cc1ccco1)Oc1[n-]c(=S)ncc1C1CC1 ZINC001226119403 817278526 /nfs/dbraw/zinc/27/85/26/817278526.db2.gz NSUVMBFRIXCBFS-SECBINFHSA-N -1 3 276.361 3.246 20 0 CGADHM O=c1cc(OC2CC(F)(F)C2)nc(-c2ccccc2)[n-]1 ZINC001226181144 817292843 /nfs/dbraw/zinc/29/28/43/817292843.db2.gz ABWJZWMFPZDTOM-UHFFFAOYSA-N -1 3 278.258 3.026 20 0 CGADHM Cc1nnc(=O)[n-]c1O[C@@H](C)c1ccccc1C(F)(F)F ZINC001226461705 817364632 /nfs/dbraw/zinc/36/46/32/817364632.db2.gz UIEWWVISVOGOQY-QMMMGPOBSA-N -1 3 299.252 3.044 20 0 CGADHM CCc1nc(O[C@H]2CCc3c2cccc3C)cc(=O)[n-]1 ZINC001226472409 817367237 /nfs/dbraw/zinc/36/72/37/817367237.db2.gz GUEARRPAKBDMDC-ZDUSSCGKSA-N -1 3 270.332 3.119 20 0 CGADHM CCc1nc(O[C@@H](C)c2c(F)cccc2F)cc(=O)[n-]1 ZINC001226473514 817369406 /nfs/dbraw/zinc/36/94/06/817369406.db2.gz YXDRWSVYTULIJB-QMMMGPOBSA-N -1 3 280.274 3.163 20 0 CGADHM CCc1nc(O[C@@H]2CCc3cc(Cl)ccc32)cc(=O)[n-]1 ZINC001226476889 817370890 /nfs/dbraw/zinc/37/08/90/817370890.db2.gz TXNVWNUQFCQARL-GFCCVEGCSA-N -1 3 290.750 3.464 20 0 CGADHM Cc1cc(=O)oc2cc([O-])c(O[C@@H](C)c3ccccn3)cc12 ZINC001226533089 817390332 /nfs/dbraw/zinc/39/03/32/817390332.db2.gz YRUYDOBRSPAQEL-NSHDSACASA-N -1 3 297.310 3.342 20 0 CGADHM O=c1ccc2ccc([O-])c(O[C@@H]3CCC(F)(F)C3)c2o1 ZINC001226600549 817409178 /nfs/dbraw/zinc/40/91/78/817409178.db2.gz XWIDFPPHJUDCDN-SECBINFHSA-N -1 3 282.242 3.065 20 0 CGADHM CCOC(=O)CC1CC(Oc2cccc([O-])c2Cl)C1 ZINC001226713171 817443533 /nfs/dbraw/zinc/44/35/33/817443533.db2.gz ZSFHSFFHIYOAEE-UHFFFAOYSA-N -1 3 284.739 3.156 20 0 CGADHM C[C@H](Oc1cc(=O)[n-]cn1)c1cccc2ccccc21 ZINC001226945829 817512400 /nfs/dbraw/zinc/51/24/00/817512400.db2.gz DBBMHFKUNSYXMM-NSHDSACASA-N -1 3 266.300 3.475 20 0 CGADHM CCCC[C@@H](Oc1cc(=O)[n-]cn1)c1ccccc1 ZINC001226945026 817512852 /nfs/dbraw/zinc/51/28/52/817512852.db2.gz NGOIJBCOQBJLEG-CYBMUJFWSA-N -1 3 258.321 3.493 20 0 CGADHM CCc1cnc(=S)[n-]c1O[C@H](C)c1ccc(OC)cc1 ZINC001227060885 817547210 /nfs/dbraw/zinc/54/72/10/817547210.db2.gz GMYGFCYQPXCYRQ-SNVBAGLBSA-N -1 3 290.388 3.476 20 0 CGADHM CCc1cnc(=S)[n-]c1O[C@H](C(C)C)C(F)(F)F ZINC001227062051 817548059 /nfs/dbraw/zinc/54/80/59/817548059.db2.gz QXAORQUNFDOEBM-MRVPVSSYSA-N -1 3 280.315 3.293 20 0 CGADHM C=Cc1c[n-]c(=O)nc1O[C@H]1CC[C@H](C(F)(F)F)CC1 ZINC001227713344 817700484 /nfs/dbraw/zinc/70/04/84/817700484.db2.gz KPSGFTJTXLYTAV-MGCOHNPYSA-N -1 3 288.269 3.325 20 0 CGADHM CC[C@@H](Oc1nc(C(=O)OC)ccc1[O-])C1CCCCC1 ZINC001227825647 817727684 /nfs/dbraw/zinc/72/76/84/817727684.db2.gz NLQZQZQAXRIVIG-CQSZACIVSA-N -1 3 293.363 3.312 20 0 CGADHM C[C@H](Cc1ccco1)Oc1ncc(Cl)cc1[O-] ZINC001227983622 817772553 /nfs/dbraw/zinc/77/25/53/817772553.db2.gz QIDRACASLCHCQV-MRVPVSSYSA-N -1 3 253.685 3.044 20 0 CGADHM C[C@@H](Oc1[n-]c(=O)nc2cccnc21)c1ccccc1F ZINC001228006699 817781766 /nfs/dbraw/zinc/78/17/66/817781766.db2.gz FTPMEWOKBPHISB-SECBINFHSA-N -1 3 285.278 3.010 20 0 CGADHM CCCc1c([O-])ccc(C(C)=O)c1O[C@H]1CCOC[C@H]1C ZINC001228136678 817821554 /nfs/dbraw/zinc/82/15/54/817821554.db2.gz PSVHYRNPWQSTQN-BZNIZROVSA-N -1 3 292.375 3.351 20 0 CGADHM CCCOC[C@@H](C)Oc1c([O-])ccc2c(C)cc(=O)oc21 ZINC001228621570 817956536 /nfs/dbraw/zinc/95/65/36/817956536.db2.gz CQKOMASVJSCKSI-LLVKDONJSA-N -1 3 292.331 3.001 20 0 CGADHM CCCC[C@@H](CC)Oc1nnc(-c2cccnc2)[n-]1 ZINC001228694656 817975295 /nfs/dbraw/zinc/97/52/95/817975295.db2.gz CZBRHALRKUOYFX-GFCCVEGCSA-N -1 3 260.341 3.214 20 0 CGADHM CCCC[C@@H](CC)Oc1nc(-c2cccnc2)n[n-]1 ZINC001228694656 817975298 /nfs/dbraw/zinc/97/52/98/817975298.db2.gz CZBRHALRKUOYFX-GFCCVEGCSA-N -1 3 260.341 3.214 20 0 CGADHM CCCC[C@@H](CC)Oc1n[n-]c(-c2cccnc2)n1 ZINC001228694656 817975305 /nfs/dbraw/zinc/97/53/05/817975305.db2.gz CZBRHALRKUOYFX-GFCCVEGCSA-N -1 3 260.341 3.214 20 0 CGADHM C[C@@H](Oc1nnc(-c2cccnc2)[n-]1)c1cccs1 ZINC001228693628 817975837 /nfs/dbraw/zinc/97/58/37/817975837.db2.gz APSUQQOBQXDAAG-SECBINFHSA-N -1 3 272.333 3.068 20 0 CGADHM C[C@@H](Oc1nc(-c2cccnc2)n[n-]1)c1cccs1 ZINC001228693628 817975845 /nfs/dbraw/zinc/97/58/45/817975845.db2.gz APSUQQOBQXDAAG-SECBINFHSA-N -1 3 272.333 3.068 20 0 CGADHM C[C@@H](Oc1n[n-]c(-c2cccnc2)n1)c1cccs1 ZINC001228693628 817975852 /nfs/dbraw/zinc/97/58/52/817975852.db2.gz APSUQQOBQXDAAG-SECBINFHSA-N -1 3 272.333 3.068 20 0 CGADHM Cc1ccc2c(c1)CC[C@H]2Oc1n[n-]c(-c2ccncc2)n1 ZINC001228697083 817977306 /nfs/dbraw/zinc/97/73/06/817977306.db2.gz HHSAHLHRMRXWJJ-OAHLLOKOSA-N -1 3 292.342 3.241 20 0 CGADHM COc1cccc([C@@H](C)Oc2n[n-]c(-c3ccncc3)n2)c1 ZINC001228696867 817977696 /nfs/dbraw/zinc/97/76/96/817977696.db2.gz CWCQKJAJKUAVBX-LLVKDONJSA-N -1 3 296.330 3.015 20 0 CGADHM C[C@@H]1CC[C@@H](Oc2nnc(-c3cccnc3)[n-]2)C[C@H]1C ZINC001228698119 817978039 /nfs/dbraw/zinc/97/80/39/817978039.db2.gz NCJLYCQXMYWZBN-NQBHXWOUSA-N -1 3 272.352 3.070 20 0 CGADHM C[C@@H]1CC[C@@H](Oc2nc(-c3cccnc3)n[n-]2)C[C@H]1C ZINC001228698119 817978043 /nfs/dbraw/zinc/97/80/43/817978043.db2.gz NCJLYCQXMYWZBN-NQBHXWOUSA-N -1 3 272.352 3.070 20 0 CGADHM C[C@@H]1CC[C@@H](Oc2n[n-]c(-c3cccnc3)n2)C[C@H]1C ZINC001228698119 817978046 /nfs/dbraw/zinc/97/80/46/817978046.db2.gz NCJLYCQXMYWZBN-NQBHXWOUSA-N -1 3 272.352 3.070 20 0 CGADHM CC[C@H](Oc1n[n-]c(-c2ccncc2)n1)C(C)(C)C ZINC001228696948 817978101 /nfs/dbraw/zinc/97/81/01/817978101.db2.gz GLTUDKCKXRQWNO-NSHDSACASA-N -1 3 260.341 3.070 20 0 CGADHM CCC[C@H](Oc1n[n-]c(-c2ccncc2)n1)C(C)C ZINC001228697383 817978337 /nfs/dbraw/zinc/97/83/37/817978337.db2.gz KLTBXRUJYUKNGE-LBPRGKRZSA-N -1 3 260.341 3.070 20 0 CGADHM CC[C@H](C)CC[C@@H](C)Oc1nnc(-c2cccnc2)[n-]1 ZINC001228698834 817979480 /nfs/dbraw/zinc/97/94/80/817979480.db2.gz ULKHVHDTFWEJIB-NWDGAFQWSA-N -1 3 274.368 3.460 20 0 CGADHM CC[C@H](C)CC[C@@H](C)Oc1nc(-c2cccnc2)n[n-]1 ZINC001228698834 817979481 /nfs/dbraw/zinc/97/94/81/817979481.db2.gz ULKHVHDTFWEJIB-NWDGAFQWSA-N -1 3 274.368 3.460 20 0 CGADHM CC[C@H](C)CC[C@@H](C)Oc1n[n-]c(-c2cccnc2)n1 ZINC001228698834 817979487 /nfs/dbraw/zinc/97/94/87/817979487.db2.gz ULKHVHDTFWEJIB-NWDGAFQWSA-N -1 3 274.368 3.460 20 0 CGADHM CC/C=C(\C)[C@H](CC)Oc1n[n-]c(-c2ccncc2)n1 ZINC001228700686 817979669 /nfs/dbraw/zinc/97/96/69/817979669.db2.gz WJXGABCHPOAWIA-VKUYVZBCSA-N -1 3 272.352 3.380 20 0 CGADHM CCCOc1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1F ZINC001243224407 823299993 /nfs/dbraw/zinc/29/99/93/823299993.db2.gz YXXNUNXFAVXTMD-UHFFFAOYSA-N -1 3 298.321 3.462 20 0 CGADHM CCCOc1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1F ZINC001243224407 823299998 /nfs/dbraw/zinc/29/99/98/823299998.db2.gz YXXNUNXFAVXTMD-UHFFFAOYSA-N -1 3 298.321 3.462 20 0 CGADHM C[C@H](Oc1cc2c(cc1[O-])CCC2=O)c1ccncc1 ZINC001228852970 818021913 /nfs/dbraw/zinc/02/19/13/818021913.db2.gz FBHYHQLINDRQSW-JTQLQIEISA-N -1 3 269.300 3.056 20 0 CGADHM C[C@H](Oc1cc2c(cc1[O-])CCC2=O)c1nccs1 ZINC001228853941 818023585 /nfs/dbraw/zinc/02/35/85/818023585.db2.gz MTFWVEBEILMYSP-QMMMGPOBSA-N -1 3 275.329 3.118 20 0 CGADHM c1cc(O[C@H]2CCC=CCCC2)cc(-c2nnn[n-]2)c1 ZINC001231118417 818035345 /nfs/dbraw/zinc/03/53/45/818035345.db2.gz NGONGKYSLADZMG-ZDUSSCGKSA-N -1 3 270.336 3.134 20 0 CGADHM c1cc(O[C@H]2CCC=CCCC2)cc(-c2nn[n-]n2)c1 ZINC001231118417 818035352 /nfs/dbraw/zinc/03/53/52/818035352.db2.gz NGONGKYSLADZMG-ZDUSSCGKSA-N -1 3 270.336 3.134 20 0 CGADHM COc1cccc([C@H](C)Oc2cccc(-c3nnn[n-]3)c2)c1 ZINC001231119020 818036250 /nfs/dbraw/zinc/03/62/50/818036250.db2.gz XZRYITHFNHYEGX-NSHDSACASA-N -1 3 296.330 3.015 20 0 CGADHM COc1cccc([C@H](C)Oc2cccc(-c3nn[n-]n3)c2)c1 ZINC001231119020 818036257 /nfs/dbraw/zinc/03/62/57/818036257.db2.gz XZRYITHFNHYEGX-NSHDSACASA-N -1 3 296.330 3.015 20 0 CGADHM CC(C)O[C@H]1CCN(Cc2ccc(Cl)c([O-])c2)C1 ZINC001231737841 818163988 /nfs/dbraw/zinc/16/39/88/818163988.db2.gz XFIXJSHJYATJIU-LBPRGKRZSA-N -1 3 269.772 3.045 20 0 CGADHM CN(CCc1ccccc1)Cc1ccc(F)c([O-])c1F ZINC001232932092 818475056 /nfs/dbraw/zinc/47/50/56/818475056.db2.gz BNPKCKHXNROINJ-UHFFFAOYSA-N -1 3 277.314 3.345 20 0 CGADHM C[C@H]1CCCN(Cc2cc([O-])c(F)c(F)c2)CC1 ZINC001232971006 818487749 /nfs/dbraw/zinc/48/77/49/818487749.db2.gz QHVWFZPEXNTSIK-JTQLQIEISA-N -1 3 255.308 3.292 20 0 CGADHM [O-]c1cc(CN2CCC[C@@H]3CCC[C@H]32)cc(F)c1F ZINC001232973266 818488015 /nfs/dbraw/zinc/48/80/15/818488015.db2.gz RBQHNHMYKONWHT-WCQYABFASA-N -1 3 267.319 3.435 20 0 CGADHM O=C(c1ccccc1)[C@H]1CCN(Cc2cccc([O-])c2F)C1 ZINC001233054690 818512730 /nfs/dbraw/zinc/51/27/30/818512730.db2.gz USJWGQTUYKNXRP-HNNXBMFYSA-N -1 3 299.345 3.236 20 0 CGADHM Cc1nc([C@H]2CCCN(Cc3ccc([S-])cc3)C2)no1 ZINC001233259632 818559219 /nfs/dbraw/zinc/55/92/19/818559219.db2.gz ZHRRVMUKOMTLFW-ZDUSSCGKSA-N -1 3 289.404 3.046 20 0 CGADHM CCN(Cc1ccc(OC)c([O-])c1Cl)CC(F)(F)F ZINC001233401145 818612258 /nfs/dbraw/zinc/61/22/58/818612258.db2.gz NRXFKIBTYQACPP-UHFFFAOYSA-N -1 3 297.704 3.438 20 0 CGADHM Cc1cc([O-])c(Cl)cc1O[C@H](C)c1cncnc1 ZINC001233592043 818652451 /nfs/dbraw/zinc/65/24/51/818652451.db2.gz JETVZVUNUFITLE-SECBINFHSA-N -1 3 264.712 3.284 20 0 CGADHM Cc1cc([O-])c(Cl)cc1O[C@@H](C)c1ncccn1 ZINC001233593739 818653481 /nfs/dbraw/zinc/65/34/81/818653481.db2.gz ZCLKSJXUGCOBED-VIFPVBQESA-N -1 3 264.712 3.284 20 0 CGADHM C[C@@H](COCc1ccccc1)Oc1ccc2occ([O-])c2c1 ZINC001233677143 818677403 /nfs/dbraw/zinc/67/74/03/818677403.db2.gz GFDCHCZUUBWZAR-ZDUSSCGKSA-N -1 3 298.338 3.246 20 0 CGADHM CC(=O)[C@H](Oc1cccc([O-])c1F)c1ccccc1 ZINC001233873346 818721710 /nfs/dbraw/zinc/72/17/10/818721710.db2.gz XUMJSNCIJMSNEL-HNNXBMFYSA-N -1 3 260.264 3.240 20 0 CGADHM CCC[C@H](C)[C@@H](CC)Oc1cccc([O-])c1C(N)=O ZINC001234153529 818793223 /nfs/dbraw/zinc/79/32/23/818793223.db2.gz OPHNPTOZKKGYJD-CMPLNLGQSA-N -1 3 265.353 3.085 20 0 CGADHM [O-]c1ccc(Cl)c(O[C@H]2COc3cnccc32)c1F ZINC001234262712 818820205 /nfs/dbraw/zinc/82/02/05/818820205.db2.gz FGQATRGCLHFQPI-NSHDSACASA-N -1 3 281.670 3.092 20 0 CGADHM O=C1CCCC[C@@H]1Oc1c([O-])cc(Cl)cc1F ZINC001234443257 818856305 /nfs/dbraw/zinc/85/63/05/818856305.db2.gz FAEOLNXFVYKOGX-NSHDSACASA-N -1 3 258.676 3.075 20 0 CGADHM CO[C@H](C)CO[C@@H](C)COc1c([O-])cc(Cl)cc1F ZINC001234445075 818856389 /nfs/dbraw/zinc/85/63/89/818856389.db2.gz WSKDVKLXXHQMMB-BDAKNGLRSA-N -1 3 292.734 3.004 20 0 CGADHM COc1cccc([C@@H](C)Oc2nc3c(cccc3[O-])[nH]2)c1 ZINC001234447279 818857099 /nfs/dbraw/zinc/85/70/99/818857099.db2.gz MHRXGVCIRHIKRL-SNVBAGLBSA-N -1 3 284.315 3.417 20 0 CGADHM C[C@@H](Oc1nc2c(cccc2[O-])[nH]1)c1cccc(N(C)C)c1 ZINC001234446279 818858035 /nfs/dbraw/zinc/85/80/35/818858035.db2.gz FQCFZIURLKBDIS-LLVKDONJSA-N -1 3 297.358 3.475 20 0 CGADHM COc1ccc([C@H](C)Oc2nc3c(cccc3[O-])[nH]2)cc1 ZINC001234447217 818858050 /nfs/dbraw/zinc/85/80/50/818858050.db2.gz LIRJSQOVBOSDSZ-JTQLQIEISA-N -1 3 284.315 3.417 20 0 CGADHM C[C@H](Oc1nc2ccsc2[n-]1)c1ccncc1F ZINC001234846377 818932387 /nfs/dbraw/zinc/93/23/87/818932387.db2.gz BJVGNCHRQJHKES-ZETCQYMHSA-N -1 3 263.297 3.299 20 0 CGADHM C[C@H](Oc1nc2sccc2[n-]1)c1ccncc1F ZINC001234846377 818932390 /nfs/dbraw/zinc/93/23/90/818932390.db2.gz BJVGNCHRQJHKES-ZETCQYMHSA-N -1 3 263.297 3.299 20 0 CGADHM COc1nc(-c2cc([O-])cc(Cl)c2)nc2c1ccn2C ZINC001235899724 819209839 /nfs/dbraw/zinc/20/98/39/819209839.db2.gz KBNVKJAVMRLGKH-UHFFFAOYSA-N -1 3 289.722 3.003 20 0 CGADHM COc1cc(-c2cc([O-])cc(Cl)c2)ncc1F ZINC001235900582 819210436 /nfs/dbraw/zinc/21/04/36/819210436.db2.gz WXLWJLRNSCTMET-UHFFFAOYSA-N -1 3 253.660 3.255 20 0 CGADHM [O-]c1cc(Cl)cc(-c2cnc(OC3CCC3)cn2)c1 ZINC001235904337 819214606 /nfs/dbraw/zinc/21/46/06/819214606.db2.gz NPMGSCLNCVUZLD-UHFFFAOYSA-N -1 3 276.723 3.434 20 0 CGADHM COc1ccc(-c2cc([O-])cc(Cl)c2)nc1F ZINC001235904758 819214897 /nfs/dbraw/zinc/21/48/97/819214897.db2.gz WTNXLLUEGJXGQF-UHFFFAOYSA-N -1 3 253.660 3.255 20 0 CGADHM CCOc1cc(C)ccc1-c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001243407355 823394820 /nfs/dbraw/zinc/39/48/20/823394820.db2.gz JLUNUTJQQJJFBM-UHFFFAOYSA-N -1 3 298.321 3.380 20 0 CGADHM CCOc1cc(C)ccc1-c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001243407355 823394827 /nfs/dbraw/zinc/39/48/27/823394827.db2.gz JLUNUTJQQJJFBM-UHFFFAOYSA-N -1 3 298.321 3.380 20 0 CGADHM Cc1nc2nc[nH]c2cc1-c1c(F)cc(F)c([O-])c1F ZINC001235998155 819267402 /nfs/dbraw/zinc/26/74/02/819267402.db2.gz VHAJBQFMTQFYJW-UHFFFAOYSA-N -1 3 279.221 3.056 20 0 CGADHM CC(C)Oc1ccc(F)c(-c2cccc(-c3nnn[n-]3)c2)c1 ZINC001243444965 823406721 /nfs/dbraw/zinc/40/67/21/823406721.db2.gz GHZTZTXCVWIFGH-UHFFFAOYSA-N -1 3 298.321 3.460 20 0 CGADHM CC(C)Oc1ccc(F)c(-c2cccc(-c3nn[n-]n3)c2)c1 ZINC001243444965 823406725 /nfs/dbraw/zinc/40/67/25/823406725.db2.gz GHZTZTXCVWIFGH-UHFFFAOYSA-N -1 3 298.321 3.460 20 0 CGADHM Cc1cccc2c1CCN(Cc1ccc(F)c([O-])c1)C2 ZINC001236703705 819576287 /nfs/dbraw/zinc/57/62/87/819576287.db2.gz QENKGLLFRSCMPX-UHFFFAOYSA-N -1 3 271.335 3.398 20 0 CGADHM [O-]c1c(F)cc(F)cc1-c1ccc2c(c1)[C@H](O)CCO2 ZINC001243506095 823423803 /nfs/dbraw/zinc/42/38/03/823423803.db2.gz WZBZODQEQHFNCS-CYBMUJFWSA-N -1 3 278.254 3.153 20 0 CGADHM O=c1[n-]c(Cl)c(CN2CCC[C@H]2C(F)(F)F)s1 ZINC001237159622 819684121 /nfs/dbraw/zinc/68/41/21/819684121.db2.gz DHZMFTRPIDUGPZ-LURJTMIESA-N -1 3 286.706 3.029 20 0 CGADHM Cc1cc([C@H]2CCCN2Cc2occc2[S-])no1 ZINC001237184236 819689475 /nfs/dbraw/zinc/68/94/75/819689475.db2.gz XDRRXQQPLARJIE-LLVKDONJSA-N -1 3 264.350 3.202 20 0 CGADHM Cc1ncc(-c2cccc([O-])c2F)c(C(F)(F)F)n1 ZINC001243548617 823440272 /nfs/dbraw/zinc/44/02/72/823440272.db2.gz GSPBUZQRMPBALI-UHFFFAOYSA-N -1 3 272.201 3.316 20 0 CGADHM COC(=O)c1nc2c(cccc2-c2cccc([O-])c2F)o1 ZINC001243548060 823440335 /nfs/dbraw/zinc/44/03/35/823440335.db2.gz YOQHRXGYHMGGOJ-UHFFFAOYSA-N -1 3 287.246 3.126 20 0 CGADHM CSc1nc2ncnc(-c3cccc([O-])c3F)c2s1 ZINC001243543137 823436624 /nfs/dbraw/zinc/43/66/24/823436624.db2.gz QTFRMDZVYOITLO-UHFFFAOYSA-N -1 3 293.348 3.320 20 0 CGADHM [O-]c1cccc(-c2cnc(-c3ccco3)cn2)c1F ZINC001243542834 823436857 /nfs/dbraw/zinc/43/68/57/823436857.db2.gz LQXHXRPLJPVZDT-UHFFFAOYSA-N -1 3 256.236 3.248 20 0 CGADHM [O-]c1c(F)cc(CN2CCC3(C2)CCOCC3)cc1Cl ZINC001237990332 819902611 /nfs/dbraw/zinc/90/26/11/819902611.db2.gz QQTXOKZQOAMORG-UHFFFAOYSA-N -1 3 299.773 3.187 20 0 CGADHM COc1c(F)cc(-c2cccc([O-])c2F)cc1F ZINC001243544245 823437052 /nfs/dbraw/zinc/43/70/52/823437052.db2.gz FRXFDWOFVKRPSX-UHFFFAOYSA-N -1 3 254.207 3.485 20 0 CGADHM COC(=O)c1c(F)cc(-c2cccc([O-])c2F)cc1F ZINC001243544949 823437307 /nfs/dbraw/zinc/43/73/07/823437307.db2.gz LEVVHHNYAGOQNZ-UHFFFAOYSA-N -1 3 282.217 3.263 20 0 CGADHM CCN(CC)C(=O)c1ccc(-c2cccc([O-])c2F)cn1 ZINC001243545263 823438093 /nfs/dbraw/zinc/43/80/93/823438093.db2.gz ARDHMGLWXNUTSH-UHFFFAOYSA-N -1 3 288.322 3.075 20 0 CGADHM CC(C)Cn1cccc(-c2cccc([O-])c2F)c1=O ZINC001243546269 823438699 /nfs/dbraw/zinc/43/86/99/823438699.db2.gz LEWACPOXVTVMRG-UHFFFAOYSA-N -1 3 261.296 3.016 20 0 CGADHM O=C1NCCC[C@H]1c1ccc(-c2cccc([O-])c2F)cc1 ZINC001243546016 823438991 /nfs/dbraw/zinc/43/89/91/823438991.db2.gz KDCBELQFUIXNRD-AWEZNQCLSA-N -1 3 285.318 3.192 20 0 CGADHM CCCSc1ncnc(-c2cccc([O-])c2F)c1OC ZINC001243546863 823439004 /nfs/dbraw/zinc/43/90/04/823439004.db2.gz QFTPQKIFCOQRKG-UHFFFAOYSA-N -1 3 294.351 3.499 20 0 CGADHM COc1ncc2cc[nH]c2c1-c1cccc([O-])c1F ZINC001243547596 823439589 /nfs/dbraw/zinc/43/95/89/823439589.db2.gz SVULOIOQWIMZBM-UHFFFAOYSA-N -1 3 258.252 3.083 20 0 CGADHM Cn1cc(-c2cccc([O-])c2F)c2ccccc2c1=O ZINC001243547124 823439841 /nfs/dbraw/zinc/43/98/41/823439841.db2.gz MYEBZFDHJZMAQU-UHFFFAOYSA-N -1 3 269.275 3.050 20 0 CGADHM Cc1cc(C)cc(-c2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC001239526726 820376544 /nfs/dbraw/zinc/37/65/44/820376544.db2.gz ZTSYGHXDGRLZJE-UHFFFAOYSA-N -1 3 268.295 3.290 20 0 CGADHM Cc1cc(C)cc(-c2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC001239526726 820376553 /nfs/dbraw/zinc/37/65/53/820376553.db2.gz ZTSYGHXDGRLZJE-UHFFFAOYSA-N -1 3 268.295 3.290 20 0 CGADHM CCOc1ccc(-c2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC001239565925 820417811 /nfs/dbraw/zinc/41/78/11/820417811.db2.gz OVBHFDLIDFELNA-UHFFFAOYSA-N -1 3 284.294 3.072 20 0 CGADHM CCOc1ccc(-c2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC001239565925 820417812 /nfs/dbraw/zinc/41/78/12/820417812.db2.gz OVBHFDLIDFELNA-UHFFFAOYSA-N -1 3 284.294 3.072 20 0 CGADHM CCc1ccc(-c2ccc(-c3nnn[n-]3)c(F)c2)cc1 ZINC001239589666 820437972 /nfs/dbraw/zinc/43/79/72/820437972.db2.gz QSZCKXUVCGZMDF-UHFFFAOYSA-N -1 3 268.295 3.235 20 0 CGADHM CCc1ccc(-c2ccc(-c3nn[n-]n3)c(F)c2)cc1 ZINC001239589666 820437979 /nfs/dbraw/zinc/43/79/79/820437979.db2.gz QSZCKXUVCGZMDF-UHFFFAOYSA-N -1 3 268.295 3.235 20 0 CGADHM CC(C)Oc1ccc(-c2ccc(Cc3nnn[n-]3)cc2)cc1 ZINC001239959748 820739297 /nfs/dbraw/zinc/73/92/97/820739297.db2.gz MIOFRESLJRPQEE-UHFFFAOYSA-N -1 3 294.358 3.245 20 0 CGADHM CC(C)Oc1ccc(-c2ccc(Cc3nn[n-]n3)cc2)cc1 ZINC001239959748 820739304 /nfs/dbraw/zinc/73/93/04/820739304.db2.gz MIOFRESLJRPQEE-UHFFFAOYSA-N -1 3 294.358 3.245 20 0 CGADHM Fc1ccc(-c2cccc3cnccc32)cc1-c1nnn[n-]1 ZINC001240009963 820777528 /nfs/dbraw/zinc/77/75/28/820777528.db2.gz CPJJIZMUKSCSNP-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Fc1ccc(-c2cccc3cnccc32)cc1-c1nn[n-]n1 ZINC001240009963 820777530 /nfs/dbraw/zinc/77/75/30/820777530.db2.gz CPJJIZMUKSCSNP-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Cc1cc(-c2nnn[n-]2)ccc1-c1cccc(C(C)(C)O)c1 ZINC001240410572 821030471 /nfs/dbraw/zinc/03/04/71/821030471.db2.gz WGZYMUBDCAHFHD-UHFFFAOYSA-N -1 3 294.358 3.070 20 0 CGADHM Cc1cc(-c2nn[n-]n2)ccc1-c1cccc(C(C)(C)O)c1 ZINC001240410572 821030479 /nfs/dbraw/zinc/03/04/79/821030479.db2.gz WGZYMUBDCAHFHD-UHFFFAOYSA-N -1 3 294.358 3.070 20 0 CGADHM FC(F)c1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC001240768223 821313692 /nfs/dbraw/zinc/31/36/92/821313692.db2.gz NSQRRVGZMXFPCS-UHFFFAOYSA-N -1 3 272.258 3.471 20 0 CGADHM FC(F)c1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC001240768223 821313701 /nfs/dbraw/zinc/31/37/01/821313701.db2.gz NSQRRVGZMXFPCS-UHFFFAOYSA-N -1 3 272.258 3.471 20 0 CGADHM [O-]c1ccc(-c2cccc(OC(F)(F)F)n2)cc1F ZINC001240783608 821323023 /nfs/dbraw/zinc/32/30/23/821323023.db2.gz UZEPCFOOXJJOTC-UHFFFAOYSA-N -1 3 273.185 3.492 20 0 CGADHM COC(=O)c1cc(-c2ccc([O-])c(F)c2)c(C)cc1F ZINC001240785914 821325644 /nfs/dbraw/zinc/32/56/44/821325644.db2.gz UDDZLJTYENTYOG-UHFFFAOYSA-N -1 3 278.254 3.432 20 0 CGADHM COC(=O)c1cccc(-c2ccc([O-])c(F)c2)c1C ZINC001240786116 821327434 /nfs/dbraw/zinc/32/74/34/821327434.db2.gz MHHGWGQPLGIMPC-UHFFFAOYSA-N -1 3 260.264 3.293 20 0 CGADHM O=C1Nc2ccc(-c3ccc([O-])c(F)c3)cc2C12CC2 ZINC001240786320 821327455 /nfs/dbraw/zinc/32/74/55/821327455.db2.gz GSDMLJKCJVBCQN-UHFFFAOYSA-N -1 3 269.275 3.182 20 0 CGADHM Cn1ccc2cc(-c3ccc([O-])c(F)c3)ccc2c1=O ZINC001240787354 821328926 /nfs/dbraw/zinc/32/89/26/821328926.db2.gz ZNKGBLINYPMFPE-UHFFFAOYSA-N -1 3 269.275 3.050 20 0 CGADHM O=C1OCc2cc(-c3ccc([O-])c(F)c3)cc(F)c21 ZINC001240788525 821330218 /nfs/dbraw/zinc/33/02/18/821330218.db2.gz HNBBRUHPPJITFZ-UHFFFAOYSA-N -1 3 262.211 3.008 20 0 CGADHM COc1ccc2nc(C)nc(-c3ccccc3[O-])c2c1 ZINC001241003133 821481905 /nfs/dbraw/zinc/48/19/05/821481905.db2.gz HWCJMBNDPXHCNY-UHFFFAOYSA-N -1 3 266.300 3.319 20 0 CGADHM COc1ccc(C(F)(F)F)nc1-c1ccccc1[O-] ZINC001241003131 821482177 /nfs/dbraw/zinc/48/21/77/821482177.db2.gz HQQPCUUIWYMCKC-UHFFFAOYSA-N -1 3 269.222 3.482 20 0 CGADHM COc1cc2nc(C)c(-c3ccccc3[O-])nc2cc1OC ZINC001241009479 821486587 /nfs/dbraw/zinc/48/65/87/821486587.db2.gz RMFASDMHCYAGAA-UHFFFAOYSA-N -1 3 296.326 3.328 20 0 CGADHM Cc1ccc(C)c(-c2ccccc2-c2nnn[n-]2)c1 ZINC001241190871 821626896 /nfs/dbraw/zinc/62/68/96/821626896.db2.gz HWFXSRLMQIGCOX-UHFFFAOYSA-N -1 3 250.305 3.151 20 0 CGADHM Cc1ccc(C)c(-c2ccccc2-c2nn[n-]n2)c1 ZINC001241190871 821626900 /nfs/dbraw/zinc/62/69/00/821626900.db2.gz HWFXSRLMQIGCOX-UHFFFAOYSA-N -1 3 250.305 3.151 20 0 CGADHM CCOC(=O)c1ccnc(-c2cc([O-])cc(F)c2)c1C ZINC001241256880 821676770 /nfs/dbraw/zinc/67/67/70/821676770.db2.gz CANHJVXTSOQOAW-UHFFFAOYSA-N -1 3 275.279 3.078 20 0 CGADHM COc1cccc2c(-c3cc([O-])cc(F)c3)ncnc12 ZINC001241258073 821677974 /nfs/dbraw/zinc/67/79/74/821677974.db2.gz TUUMOQLJJIFMDR-UHFFFAOYSA-N -1 3 270.263 3.150 20 0 CGADHM Cc1nnc(-c2cc([O-])cc(F)c2)c2ccccc12 ZINC001241262525 821682283 /nfs/dbraw/zinc/68/22/83/821682283.db2.gz NDMARQSXQJKDNI-UHFFFAOYSA-N -1 3 254.264 3.450 20 0 CGADHM [O-]c1cc(F)cc(-c2cnc(C(F)(F)F)nc2)c1 ZINC001241266055 821685871 /nfs/dbraw/zinc/68/58/71/821685871.db2.gz BZTHCWFSUDZEFP-UHFFFAOYSA-N -1 3 258.174 3.007 20 0 CGADHM COc1ccc2nccc(-c3cc([O-])cc(F)c3)c2n1 ZINC001241271606 821689896 /nfs/dbraw/zinc/68/98/96/821689896.db2.gz HXCWQUCHSARGDW-UHFFFAOYSA-N -1 3 270.263 3.150 20 0 CGADHM NC(=O)c1cc2cc(-c3cc([O-])cc(F)c3)ccc2o1 ZINC001241271026 821690423 /nfs/dbraw/zinc/69/04/23/821690423.db2.gz HSESCSZLWMYFOK-UHFFFAOYSA-N -1 3 271.247 3.043 20 0 CGADHM CCOc1ccc(-c2cccc(-c3nnn[n-]3)c2)c(C)c1 ZINC001241272637 821691528 /nfs/dbraw/zinc/69/15/28/821691528.db2.gz JEFUSDJURYUFDD-UHFFFAOYSA-N -1 3 280.331 3.241 20 0 CGADHM CCOc1ccc(-c2cccc(-c3nn[n-]n3)c2)c(C)c1 ZINC001241272637 821691532 /nfs/dbraw/zinc/69/15/32/821691532.db2.gz JEFUSDJURYUFDD-UHFFFAOYSA-N -1 3 280.331 3.241 20 0 CGADHM O=C1NCCC/C1=C\c1cccc(-c2cc([O-])cc(F)c2)c1 ZINC001241277900 821696582 /nfs/dbraw/zinc/69/65/82/821696582.db2.gz RLTGKLKBLMPCHE-RIYZIHGNSA-N -1 3 297.329 3.492 20 0 CGADHM COC(=O)c1cccc(-c2c(F)ccc([O-])c2F)c1 ZINC001241291612 821709407 /nfs/dbraw/zinc/70/94/07/821709407.db2.gz SSKLYZOAELWQFW-UHFFFAOYSA-N -1 3 264.227 3.124 20 0 CGADHM COC(=O)c1ccc(-c2c(F)ccc([O-])c2F)cc1C ZINC001241291602 821709609 /nfs/dbraw/zinc/70/96/09/821709609.db2.gz SIMWKFQWHCYYEF-UHFFFAOYSA-N -1 3 278.254 3.432 20 0 CGADHM COc1ccc(-c2c(F)ccc([O-])c2F)c(C)n1 ZINC001241293232 821711322 /nfs/dbraw/zinc/71/13/22/821711322.db2.gz UISZWYBJZJCXLR-UHFFFAOYSA-N -1 3 251.232 3.049 20 0 CGADHM C[S@@](=O)c1ccccc1-c1c(F)ccc([O-])c1F ZINC001241293294 821711378 /nfs/dbraw/zinc/71/13/78/821711378.db2.gz QYJVKVWACQBDMS-GOSISDBHSA-N -1 3 268.284 3.075 20 0 CGADHM [O-]c1ccc(F)c(-c2cc3[nH]cnc3c(F)c2)c1F ZINC001241293822 821712651 /nfs/dbraw/zinc/71/26/51/821712651.db2.gz CAFNTCXSMAWVDH-UHFFFAOYSA-N -1 3 264.206 3.353 20 0 CGADHM CCc1cc(OC)ccc1-c1ccc(-c2nnn[n-]2)cc1 ZINC001241442922 821837312 /nfs/dbraw/zinc/83/73/12/821837312.db2.gz KAATWGPQNQPYJB-UHFFFAOYSA-N -1 3 280.331 3.105 20 0 CGADHM CCc1cc(OC)ccc1-c1ccc(-c2nn[n-]n2)cc1 ZINC001241442922 821837319 /nfs/dbraw/zinc/83/73/19/821837319.db2.gz KAATWGPQNQPYJB-UHFFFAOYSA-N -1 3 280.331 3.105 20 0 CGADHM CO[C@@H](C)c1cccc(-c2ccccc2-c2nnn[n-]2)c1 ZINC001242023373 822286465 /nfs/dbraw/zinc/28/64/65/822286465.db2.gz GJOKLSFBDNZMRB-NSHDSACASA-N -1 3 280.331 3.241 20 0 CGADHM CO[C@@H](C)c1cccc(-c2ccccc2-c2nn[n-]n2)c1 ZINC001242023373 822286475 /nfs/dbraw/zinc/28/64/75/822286475.db2.gz GJOKLSFBDNZMRB-NSHDSACASA-N -1 3 280.331 3.241 20 0 CGADHM COc1ncc(-c2ccc([O-])c(C(F)(F)F)c2)c(C)n1 ZINC001242161814 822900203 /nfs/dbraw/zinc/90/02/03/822900203.db2.gz FIGFNSGFXBQUJE-UHFFFAOYSA-N -1 3 284.237 3.185 20 0 CGADHM O=C1Nc2cc(-c3ccc(F)cc3[O-])ccc2C12CC2 ZINC001242219168 822915610 /nfs/dbraw/zinc/91/56/10/822915610.db2.gz LAEKYQSDMAVQLX-UHFFFAOYSA-N -1 3 269.275 3.182 20 0 CGADHM COC(=O)[C@@H](C)c1ccc(-c2ccc(F)cc2[O-])cc1 ZINC001242218767 822915907 /nfs/dbraw/zinc/91/59/07/822915907.db2.gz OXTGDTBXDLGUDR-JTQLQIEISA-N -1 3 274.291 3.475 20 0 CGADHM CC1(C)CNC(=O)c2ccc(-c3ccc(F)cc3[O-])cc21 ZINC001242219678 822916296 /nfs/dbraw/zinc/91/62/96/822916296.db2.gz LKAQWRCVMRLDOF-UHFFFAOYSA-N -1 3 285.318 3.219 20 0 CGADHM COc1ccc(-c2nnn[n-]2)cc1C1=CCC(C)(C)CC1 ZINC001242329467 822952821 /nfs/dbraw/zinc/95/28/21/822952821.db2.gz UEHJHMMUUUOHHK-UHFFFAOYSA-N -1 3 284.363 3.469 20 0 CGADHM COc1ccc(-c2nn[n-]n2)cc1C1=CCC(C)(C)CC1 ZINC001242329467 822952823 /nfs/dbraw/zinc/95/28/23/822952823.db2.gz UEHJHMMUUUOHHK-UHFFFAOYSA-N -1 3 284.363 3.469 20 0 CGADHM CC1(C)CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001242329042 822952877 /nfs/dbraw/zinc/95/28/77/822952877.db2.gz INMDAIWCXJPFQS-UHFFFAOYSA-N -1 3 254.337 3.460 20 0 CGADHM CC1(C)CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001242329042 822952878 /nfs/dbraw/zinc/95/28/78/822952878.db2.gz INMDAIWCXJPFQS-UHFFFAOYSA-N -1 3 254.337 3.460 20 0 CGADHM COc1ccc(-c2cccc(F)c2[O-])cc1NC(C)=O ZINC001242352566 822962851 /nfs/dbraw/zinc/96/28/51/822962851.db2.gz ZAPVTRVHCRFLJM-UHFFFAOYSA-N -1 3 275.279 3.165 20 0 CGADHM Fc1cc(-c2nnn[n-]2)cc(-c2cccc3ccncc32)c1 ZINC001242370010 822970645 /nfs/dbraw/zinc/97/06/45/822970645.db2.gz HFHQTUANCIZQIO-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Fc1cc(-c2nn[n-]n2)cc(-c2cccc3ccncc32)c1 ZINC001242370010 822970648 /nfs/dbraw/zinc/97/06/48/822970648.db2.gz HFHQTUANCIZQIO-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM CC[C@H](F)C(=O)Nc1c(C)c(Br)ccc1[O-] ZINC001339012711 936344673 /nfs/dbraw/zinc/34/46/73/936344673.db2.gz UUQJKOJKVFTEPC-QMMMGPOBSA-N -1 3 290.132 3.150 20 0 CGADHM CC(C)C[C@H](CNCc1csc(C(C)C)n1)C(=O)[O-] ZINC001345542970 936814023 /nfs/dbraw/zinc/81/40/23/936814023.db2.gz KWPNVIDCRJHSOK-LLVKDONJSA-N -1 3 284.425 3.103 20 0 CGADHM O=C(c1cc([O-])c2ccccc2c1)N1CCC[C@H]1C(F)F ZINC001347607889 936889454 /nfs/dbraw/zinc/88/94/54/936889454.db2.gz ASYGLXFKFKBNCH-ZDUSSCGKSA-N -1 3 291.297 3.415 20 0 CGADHM O=C([N-]c1ccc(Cl)cc1F)c1c(F)ccnc1F ZINC001350139500 936980633 /nfs/dbraw/zinc/98/06/33/936980633.db2.gz WQDVOCNUSDJJQF-UHFFFAOYSA-N -1 3 286.640 3.405 20 0 CGADHM Cc1cnccc1SCc1nnc(-c2ccccc2[O-])o1 ZINC001473034579 937159249 /nfs/dbraw/zinc/15/92/49/937159249.db2.gz LAUKKSKGXKMFBT-UHFFFAOYSA-N -1 3 299.355 3.438 20 0 CGADHM Cc1ccnc(CCNc2ccc3c(c2)[N-]C(=S)C3)c1 ZINC001169325248 928097741 /nfs/dbraw/zinc/09/77/41/928097741.db2.gz SIKCKFMZUQLTGE-UHFFFAOYSA-N -1 3 283.400 3.340 20 0 CGADHM O=c1nc(Cl)cc(N2CCc3c2cccc3Cl)[n-]1 ZINC001363735137 937231416 /nfs/dbraw/zinc/23/14/16/937231416.db2.gz NBTYJUVHYFATES-UHFFFAOYSA-N -1 3 282.130 3.183 20 0 CGADHM CCc1ccc(C(=O)N[C@@H]2CCC[C@@H](SC)C2)c([O-])c1 ZINC001444076596 937349675 /nfs/dbraw/zinc/34/96/75/937349675.db2.gz CRZGILXYLZEZTQ-CHWSQXEVSA-N -1 3 293.432 3.359 20 0 CGADHM C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)Nc1cc(Cl)ccc1[O-] ZINC001446530293 937363516 /nfs/dbraw/zinc/36/35/16/937363516.db2.gz WVIHKJRVUVETFI-GRLWKWRFSA-N -1 3 265.740 3.276 20 0 CGADHM O=C(Nc1ccc(Cl)cc1[O-])C1(c2cccnc2)CC1 ZINC001447285674 937367858 /nfs/dbraw/zinc/36/78/58/937367858.db2.gz FLRKSMVRSJWNGF-UHFFFAOYSA-N -1 3 288.734 3.111 20 0 CGADHM O=C(Nc1ncccc1[O-])c1ccsc1C(F)F ZINC001447605920 937369514 /nfs/dbraw/zinc/36/95/14/937369514.db2.gz OGMOAGQLRHKQMK-UHFFFAOYSA-N -1 3 270.260 3.039 20 0 CGADHM CCn1ncc(NC(=O)c2cc([O-])c3ccccc3c2)c1C ZINC001455405729 937417157 /nfs/dbraw/zinc/41/71/57/937417157.db2.gz DFQZILDMXMPOAM-UHFFFAOYSA-N -1 3 295.342 3.323 20 0 CGADHM CCc1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)S3)c([O-])c1 ZINC001456553697 937432066 /nfs/dbraw/zinc/43/20/66/937432066.db2.gz SSCWRPWAXCMNHL-YHWZYXNKSA-N -1 3 291.416 3.111 20 0 CGADHM CC(C)(CC(=O)Nc1ccncc1[O-])C1CCCCC1 ZINC001457612505 937444224 /nfs/dbraw/zinc/44/42/24/937444224.db2.gz AWHGEYWGAHDCOV-UHFFFAOYSA-N -1 3 276.380 3.144 20 0 CGADHM CC(C)CO[N-]C(=O)C[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC001457726915 937445588 /nfs/dbraw/zinc/44/55/88/937445588.db2.gz YWAHHOGYXLAZEG-MNOVXSKESA-N -1 3 281.318 3.449 20 0 CGADHM CC(=O)c1cc(C(C)C)c([O-])cc1O[C@H]1CCOC[C@@H]1F ZINC001228960265 932059872 /nfs/dbraw/zinc/05/98/72/932059872.db2.gz ZSFCBFTTXQXAOR-ZFWWWQNUSA-N -1 3 296.338 3.224 20 0 CGADHM C[C@H]1CCC[C@H]1Oc1cc(O)cc([O-])c1Br ZINC001229101096 932095377 /nfs/dbraw/zinc/09/53/77/932095377.db2.gz YGRZTLZQAQXBOS-OIBJUYFYSA-N -1 3 287.153 3.428 20 0 CGADHM CC[C@H](C)Oc1nc(=S)[n-]c2scc(C)c21 ZINC001229351941 932138191 /nfs/dbraw/zinc/13/81/91/932138191.db2.gz DXQQBTJHLVJRRT-ZETCQYMHSA-N -1 3 254.380 3.466 20 0 CGADHM C[C@H](Oc1nc(=S)[n-]c2sccc21)C1CC1 ZINC001229566899 932173111 /nfs/dbraw/zinc/17/31/11/932173111.db2.gz TUDXVELYQDEMFN-LURJTMIESA-N -1 3 252.364 3.157 20 0 CGADHM CC1(C)C[C@H](Oc2nc(=S)[n-]c3sccc32)CCO1 ZINC001229570904 932173137 /nfs/dbraw/zinc/17/31/37/932173137.db2.gz WUVSGMYCVQYTBW-MRVPVSSYSA-N -1 3 296.417 3.316 20 0 CGADHM CSc1c(F)cccc1[N-]C(=O)c1nn(C)cc1Cl ZINC001461506173 937583453 /nfs/dbraw/zinc/58/34/53/937583453.db2.gz NQCUFCRMAQBMMA-UHFFFAOYSA-N -1 3 299.758 3.187 20 0 CGADHM C[C@@H]1CCC[C@H](Oc2ccccc2-c2nnn[n-]2)[C@@H]1C ZINC001229955855 932509198 /nfs/dbraw/zinc/50/91/98/932509198.db2.gz ZOUMUXBJPWHGIR-WZRBSPASSA-N -1 3 272.352 3.070 20 0 CGADHM C[C@@H]1CCC[C@H](Oc2ccccc2-c2nn[n-]n2)[C@@H]1C ZINC001229955855 932509202 /nfs/dbraw/zinc/50/92/02/932509202.db2.gz ZOUMUXBJPWHGIR-WZRBSPASSA-N -1 3 272.352 3.070 20 0 CGADHM Cc1cc(-c2cnc3c(c2)CCCN3)cc(Cl)c1[O-] ZINC001244555770 932707921 /nfs/dbraw/zinc/70/79/21/932707921.db2.gz RVJRYMRGSAPGHO-UHFFFAOYSA-N -1 3 274.751 3.417 20 0 CGADHM CCCCCNC(=O)c1ccc(OCCCC)cc1[O-] ZINC001306217728 932877609 /nfs/dbraw/zinc/87/76/09/932877609.db2.gz XBWHLNZOTPYITH-UHFFFAOYSA-N -1 3 279.380 3.491 20 0 CGADHM CCc1ccc2c(c1)CCN([C@H](C)c1nc(C)cc(=O)[n-]1)C2 ZINC001308171276 933065588 /nfs/dbraw/zinc/06/55/88/933065588.db2.gz ROUBJSRWAMYTBO-CYBMUJFWSA-N -1 3 297.402 3.172 20 0 CGADHM CCC(C)(C)C[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC001309398558 933234835 /nfs/dbraw/zinc/23/48/35/933234835.db2.gz OIDJEHQDNLOUTM-UHFFFAOYSA-N -1 3 293.791 3.194 20 0 CGADHM O=C([N-]c1ccccc1F)c1ncoc1C(F)(F)F ZINC001463613012 937677952 /nfs/dbraw/zinc/67/79/52/937677952.db2.gz JVOPCAKGVYBFMF-UHFFFAOYSA-N -1 3 274.173 3.085 20 0 CGADHM C[C@H](CC(=O)[N-]OCC1CCC1)C1CCCCC1 ZINC001470289909 937751192 /nfs/dbraw/zinc/75/11/92/937751192.db2.gz IYRWAWJGSJKCKW-GFCCVEGCSA-N -1 3 253.386 3.441 20 0 CGADHM COC(=O)c1ccc(NC(=O)c2cccc(C)c2[O-])c(C)c1 ZINC001323328483 934384599 /nfs/dbraw/zinc/38/45/99/934384599.db2.gz WSQVWSGNYYQLPC-UHFFFAOYSA-N -1 3 299.326 3.048 20 0 CGADHM CCc1ccc(C(=O)Nc2ccc3ncn(C)c3c2)c([O-])c1 ZINC001472050105 937771989 /nfs/dbraw/zinc/77/19/89/937771989.db2.gz GYSSCPIYXNMYMM-UHFFFAOYSA-N -1 3 295.342 3.094 20 0 CGADHM O=C([N-]c1c(F)ccnc1F)c1cc(Cl)ccc1F ZINC001324294820 934482004 /nfs/dbraw/zinc/48/20/04/934482004.db2.gz DEXGFWDAZWPNLL-UHFFFAOYSA-N -1 3 286.640 3.405 20 0 CGADHM COc1ccc(C(=O)NC[C@@H]2CCC=CCCC2)c([O-])c1 ZINC001472303486 937775045 /nfs/dbraw/zinc/77/50/45/937775045.db2.gz HXGQFMSZCJKBSJ-CYBMUJFWSA-N -1 3 289.375 3.267 20 0 CGADHM C[C@H](NC(=O)c1c([O-])cccc1O)[C@@H]1CCC[C@H](C)C1 ZINC001472578317 937777915 /nfs/dbraw/zinc/77/79/15/937777915.db2.gz AMZZWLPPGASRQJ-SDDRHHMPSA-N -1 3 277.364 3.042 20 0 CGADHM C[C@@H]1Cc2ccccc2N(Cc2cc(=O)[n-]c(C3CC3)n2)C1 ZINC001473152971 937794761 /nfs/dbraw/zinc/79/47/61/937794761.db2.gz QCVSOILMJXZEHO-GFCCVEGCSA-N -1 3 295.386 3.258 20 0 CGADHM O=C([O-])CC1(CCNCc2nccs2)CCCCC1 ZINC001332018306 935433932 /nfs/dbraw/zinc/43/39/32/935433932.db2.gz XCLDFWLDJWIVIW-UHFFFAOYSA-N -1 3 282.409 3.048 20 0 CGADHM C[C@@H](CN(C)CCC(F)(F)F)C(=O)c1ccc([O-])cc1 ZINC001332618933 935478913 /nfs/dbraw/zinc/47/89/13/935478913.db2.gz DNROQADKMPCHEL-JTQLQIEISA-N -1 3 289.297 3.095 20 0 CGADHM CCC(C)(C)C[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC001475192833 937881861 /nfs/dbraw/zinc/88/18/61/937881861.db2.gz BXIOLWCWOUYZGN-UHFFFAOYSA-N -1 3 293.791 3.194 20 0 CGADHM CCc1cnc([N-]C(=O)c2oc(C3CC3)nc2C(F)F)o1 ZINC001517773027 938012918 /nfs/dbraw/zinc/01/29/18/938012918.db2.gz NJIWZJAIFZNKJF-UHFFFAOYSA-N -1 3 297.261 3.292 20 0 CGADHM O=C([N-]c1ccc(F)nc1F)c1scnc1C(F)F ZINC001523476026 938039627 /nfs/dbraw/zinc/03/96/27/938039627.db2.gz AZXSWWXEIBERGS-UHFFFAOYSA-N -1 3 291.229 3.006 20 0 CGADHM O=C([N-]c1ncc(F)cc1Cl)c1nc(Cl)cs1 ZINC001530162260 938076313 /nfs/dbraw/zinc/07/63/13/938076313.db2.gz HKXSTBFTXVKLGF-UHFFFAOYSA-N -1 3 292.122 3.236 20 0 CGADHM CCc1ncoc1C(=O)[N-]c1noc(C(C)(C)C)c1C ZINC001535427238 938100967 /nfs/dbraw/zinc/10/09/67/938100967.db2.gz IEMAXHNSKPHJIF-UHFFFAOYSA-N -1 3 277.324 3.083 20 0 CGADHM Cc1nocc1[N-]C(=O)c1cscc1C(F)(F)F ZINC001537836837 938113939 /nfs/dbraw/zinc/11/39/39/938113939.db2.gz KEYPHJAAYBWUQJ-UHFFFAOYSA-N -1 3 276.239 3.316 20 0 CGADHM O=C(NCc1ccc([O-])c(F)c1)c1ccsc1Cl ZINC001545635017 938150207 /nfs/dbraw/zinc/15/02/07/938150207.db2.gz TVGUQGVFYCZEOO-UHFFFAOYSA-N -1 3 285.727 3.176 20 0 CGADHM O=C([O-])[C@H]1CN(Cc2ccc(F)cc2Cl)C[C@H]1C1CC1 ZINC001549116434 938155412 /nfs/dbraw/zinc/15/54/12/938155412.db2.gz LUTRLSXJPBNSDH-STQMWFEESA-N -1 3 297.757 3.022 20 0 CGADHM O=C(Cc1cccc([O-])c1F)N1CCC[C@H](C2CCC2)C1 ZINC001549491083 938157681 /nfs/dbraw/zinc/15/76/81/938157681.db2.gz KGEPKWMNMTVFLI-AWEZNQCLSA-N -1 3 291.366 3.113 20 0 CGADHM CC(C)O[N-]C(=O)[C@H]1C2CCC(CC2)[C@H]1C(F)(F)F ZINC001552145287 938190021 /nfs/dbraw/zinc/19/00/21/938190021.db2.gz UVNOTKZVDVSEPU-WFBLGPOFSA-N -1 3 279.302 3.057 20 0 CGADHM CNc1ccccc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC001556081801 938201705 /nfs/dbraw/zinc/20/17/05/938201705.db2.gz MEHLJDXYVHMZOJ-UHFFFAOYSA-N -1 3 276.723 3.340 20 0 CGADHM Cc1ccc(CCC(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)cc1 ZINC001556722434 938205149 /nfs/dbraw/zinc/20/51/49/938205149.db2.gz RJLOQXMHPWXQRJ-UHFFFAOYSA-N -1 3 295.342 3.148 20 0 CGADHM CCn1ncc(C)c1NC(=O)c1cc([O-])c2ccccc2c1 ZINC001557410138 938209817 /nfs/dbraw/zinc/20/98/17/938209817.db2.gz FHUWLRCTKUUROG-UHFFFAOYSA-N -1 3 295.342 3.323 20 0 CGADHM CSc1ccc([O-])c(C(=O)NC[C@@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC001557517617 938210587 /nfs/dbraw/zinc/21/05/87/938210587.db2.gz DZHCSAVZBPZAIX-MDZLAQPJSA-N -1 3 291.416 3.280 20 0 CGADHM Cc1ccc(C(=O)NCc2cccc3[nH]ccc32)c([O-])c1 ZINC001558065106 938213389 /nfs/dbraw/zinc/21/33/89/938213389.db2.gz CBWUWSNHPWGQSK-UHFFFAOYSA-N -1 3 280.327 3.112 20 0 CGADHM CC(C)(C)[C@H]1CCC[C@@H]1NC(=O)c1c([O-])cccc1O ZINC001558996052 938218925 /nfs/dbraw/zinc/21/89/25/938218925.db2.gz ZCMMRCLMKMVRKM-QWRGUYRKSA-N -1 3 277.364 3.042 20 0 CGADHM Cc1cc(=O)[n-]c(CN2CCc3ccc(C(C)C)cc3C2)n1 ZINC001559979545 938240556 /nfs/dbraw/zinc/24/05/56/938240556.db2.gz FCMAPIPFAJJECN-UHFFFAOYSA-N -1 3 297.402 3.172 20 0 CGADHM COc1ccc(CN(C)Cc2cccc(C(=O)[O-])c2)cc1 ZINC000048894516 948906939 /nfs/dbraw/zinc/90/69/39/948906939.db2.gz JWXYAAIPNNBDIF-UHFFFAOYSA-N -1 3 285.343 3.025 20 0 CGADHM CN(Cc1cccc(Cl)c1Cl)C(C)(C)C(=O)[O-] ZINC000086762260 957984964 /nfs/dbraw/zinc/98/49/64/957984964.db2.gz QBNUYWVAEYNWFK-UHFFFAOYSA-N -1 3 276.163 3.288 20 0 CGADHM C[C@H]1CN(Cc2cc(C(=O)[O-])ccc2F)CC[C@@H]1C ZINC000131571406 958751887 /nfs/dbraw/zinc/75/18/87/958751887.db2.gz JMWGWAFHXVMMIO-QWRGUYRKSA-N -1 3 265.328 3.002 20 0 CGADHM CC1(C)C[C@@H]1NCc1ccc(C(=O)[O-])cc1Br ZINC000232788650 960297478 /nfs/dbraw/zinc/29/74/78/960297478.db2.gz UYIOTLGNSINGAR-NSHDSACASA-N -1 3 298.180 3.035 20 0 CGADHM COc1ccc(C(=O)NC(C)(C)C2CCCCC2)c([O-])c1 ZINC001565557267 960786727 /nfs/dbraw/zinc/78/67/27/960786727.db2.gz QOOSQSBLJCJACH-UHFFFAOYSA-N -1 3 291.391 3.490 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])c1nc(C2CC2)cs1 ZINC001567234857 961147974 /nfs/dbraw/zinc/14/79/74/961147974.db2.gz PEBOFXXCHDHKDK-UHFFFAOYSA-N -1 3 278.308 3.118 20 0 CGADHM O=C(Nc1ncccc1[O-])c1csc(C(F)(F)F)c1 ZINC001567485865 961356131 /nfs/dbraw/zinc/35/61/31/961356131.db2.gz UZDFZMGUAHEMHG-UHFFFAOYSA-N -1 3 288.250 3.120 20 0 CGADHM CCc1cccc(C(=O)N(C)c2ccsc2)c1[O-] ZINC001570883757 962103788 /nfs/dbraw/zinc/10/37/88/962103788.db2.gz XEKKHELGGUUPON-UHFFFAOYSA-N -1 3 261.346 3.293 20 0 CGADHM CC(C)(C)CCCN1CCCc2c(-c3nnn[n-]3)cccc21 ZINC001573845131 962288988 /nfs/dbraw/zinc/28/89/88/962288988.db2.gz RYZVFOKEFLHENS-UHFFFAOYSA-N -1 3 299.422 3.446 20 0 CGADHM CC(C)(C)CCCN1CCCc2c(-c3nn[n-]n3)cccc21 ZINC001573845131 962289006 /nfs/dbraw/zinc/28/90/06/962289006.db2.gz RYZVFOKEFLHENS-UHFFFAOYSA-N -1 3 299.422 3.446 20 0 CGADHM CCC[C@@H](Nc1cc(-c2nnn[n-]2)cc(C)n1)C(C)(C)C ZINC001577325861 962522921 /nfs/dbraw/zinc/52/29/21/962522921.db2.gz KZOOCULGKCNIBX-GFCCVEGCSA-N -1 3 288.399 3.197 20 0 CGADHM CCC[C@@H](Nc1cc(-c2nn[n-]n2)cc(C)n1)C(C)(C)C ZINC001577325861 962522927 /nfs/dbraw/zinc/52/29/27/962522927.db2.gz KZOOCULGKCNIBX-GFCCVEGCSA-N -1 3 288.399 3.197 20 0 CGADHM CCCCCOc1c(-c2nnn[n-]2)cnc2ccc(C)cc21 ZINC001577508777 962556272 /nfs/dbraw/zinc/55/62/72/962556272.db2.gz NEVDWWDYBVRINV-UHFFFAOYSA-N -1 3 297.362 3.292 20 0 CGADHM CCCCCOc1c(-c2nn[n-]n2)cnc2ccc(C)cc21 ZINC001577508777 962556282 /nfs/dbraw/zinc/55/62/82/962556282.db2.gz NEVDWWDYBVRINV-UHFFFAOYSA-N -1 3 297.362 3.292 20 0 CGADHM CCCOc1cccc(NC(=O)c2ccc(N)cc2[O-])c1 ZINC001577590648 962557366 /nfs/dbraw/zinc/55/73/66/962557366.db2.gz AOUBVJSJEYBBCY-UHFFFAOYSA-N -1 3 286.331 3.016 20 0 CGADHM Cc1cc(SCCSC(C)C)ccc1-c1nnn[n-]1 ZINC001581044640 962752617 /nfs/dbraw/zinc/75/26/17/962752617.db2.gz IYVSBSZHHFMDIV-UHFFFAOYSA-N -1 3 294.449 3.409 20 0 CGADHM Cc1cc(SCCSC(C)C)ccc1-c1nn[n-]n1 ZINC001581044640 962752625 /nfs/dbraw/zinc/75/26/25/962752625.db2.gz IYVSBSZHHFMDIV-UHFFFAOYSA-N -1 3 294.449 3.409 20 0 CGADHM Cc1cc(C)c(C)c(Oc2ncc(-c3nnn[n-]3)cc2F)c1 ZINC001580903954 962754309 /nfs/dbraw/zinc/75/43/09/962754309.db2.gz XJAORAUJGRLZSN-UHFFFAOYSA-N -1 3 299.309 3.118 20 0 CGADHM Cc1cc(C)c(C)c(Oc2ncc(-c3nn[n-]n3)cc2F)c1 ZINC001580903954 962754319 /nfs/dbraw/zinc/75/43/19/962754319.db2.gz XJAORAUJGRLZSN-UHFFFAOYSA-N -1 3 299.309 3.118 20 0 CGADHM Cc1nc([N-]C(=O)c2nc(Cl)sc2Cl)oc1C ZINC001584993235 962974649 /nfs/dbraw/zinc/97/46/49/962974649.db2.gz WTTKALSWVYXBOF-UHFFFAOYSA-N -1 3 292.147 3.307 20 0 CGADHM CC(C)c1cc([N-]C(=O)c2coc3c2C(=O)CCC3)no1 ZINC001586726744 963134565 /nfs/dbraw/zinc/13/45/65/963134565.db2.gz PDGKJKLMMOIJGC-UHFFFAOYSA-N -1 3 288.303 3.162 20 0 CGADHM Cc1ccc(NC(=O)Cc2ccc([O-])c(F)c2)c(C)c1 ZINC001587123443 963167870 /nfs/dbraw/zinc/16/78/70/963167870.db2.gz FDJQUVYGRWWLKY-UHFFFAOYSA-N -1 3 273.307 3.329 20 0 CGADHM C[C@H](N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21)c1ccoc1 ZINC001589123601 963343233 /nfs/dbraw/zinc/34/32/33/963343233.db2.gz MWGZYXRCBHIWSU-COLVAYQJSA-N -1 3 271.316 3.243 20 0 CGADHM CC(C)(C)CCSc1ccccc1-c1nnn[n-]1 ZINC001589127220 963352612 /nfs/dbraw/zinc/35/26/12/963352612.db2.gz CFHCBTYPVGUFCH-UHFFFAOYSA-N -1 3 262.382 3.395 20 0 CGADHM CC(C)(C)CCSc1ccccc1-c1nn[n-]n1 ZINC001589127220 963352620 /nfs/dbraw/zinc/35/26/20/963352620.db2.gz CFHCBTYPVGUFCH-UHFFFAOYSA-N -1 3 262.382 3.395 20 0 CGADHM C[C@H](NCC(C)(C)C1CCC1)c1ncc(C(=O)[O-])s1 ZINC000314631183 963780368 /nfs/dbraw/zinc/78/03/68/963780368.db2.gz IWHAUMHUVFINHA-VIFPVBQESA-N -1 3 282.409 3.318 20 0 CGADHM Cc1ccccc1CCN[C@H](C)c1ncc(C(=O)[O-])s1 ZINC000314663861 963787288 /nfs/dbraw/zinc/78/72/88/963787288.db2.gz ONGNFZSWVILMCS-LLVKDONJSA-N -1 3 290.388 3.043 20 0 CGADHM C[C@@H](NCCC1=CCCCC1)c1ncc(C(=O)[O-])s1 ZINC000314993301 963840472 /nfs/dbraw/zinc/84/04/72/963840472.db2.gz QQONHKUBJVGBAP-SNVBAGLBSA-N -1 3 280.393 3.382 20 0 CGADHM Cc1oc(C(C)(C)C)cc1CN1CCC(C(=O)[O-])CC1 ZINC001605454569 973536401 /nfs/dbraw/zinc/53/64/01/973536401.db2.gz CUTRHSORSOONHA-UHFFFAOYSA-N -1 3 279.380 3.182 20 0 CGADHM CC(F)(F)c1ccc(CNCc2c[nH]c(C(=O)[O-])c2)cc1 ZINC001592944747 980023266 /nfs/dbraw/zinc/02/32/66/980023266.db2.gz RDJOANNZKZGECO-UHFFFAOYSA-N -1 3 294.301 3.114 20 0 CGADHM CC[C@@H](NCc1cc(C(=O)[O-])c(C)[nH]1)c1ccc(F)cc1 ZINC001597291144 987375999 /nfs/dbraw/zinc/37/59/99/987375999.db2.gz DCZURSAYRMOBKT-OAHLLOKOSA-N -1 3 290.338 3.401 20 0 CGADHM C[C@@H](NCc1ccc(C(=O)[O-])n1C)c1cccc(Cl)c1 ZINC001599841462 988841929 /nfs/dbraw/zinc/84/19/29/988841929.db2.gz IYIXBYOXKKLELX-SNVBAGLBSA-N -1 3 292.766 3.228 20 0 CGADHM CCc1oc(C(=O)[O-])cc1CN1CCC[C@@]2(CC2(F)F)C1 ZINC001597763202 989202781 /nfs/dbraw/zinc/20/27/81/989202781.db2.gz RUWHCMYMZWFGCV-CQSZACIVSA-N -1 3 299.317 3.161 20 0 CGADHM CC(C)[C@H]1CCCCCN1Cc1nc(C(=O)[O-])cs1 ZINC001591088692 991623361 /nfs/dbraw/zinc/62/33/61/991623361.db2.gz KEZMDZPWFAKDCR-GFCCVEGCSA-N -1 3 282.409 3.242 20 0 CGADHM C[C@@H](NCCCOc1ccccc1)c1cc(C(=O)[O-])co1 ZINC001593266734 994582410 /nfs/dbraw/zinc/58/24/10/994582410.db2.gz GPCINMJBICKSGY-GFCCVEGCSA-N -1 3 289.331 3.098 20 0 CGADHM C[C@H](c1nc(C(=O)[O-])co1)N1CCCC2(CCCC2)CC1 ZINC001593730991 996299085 /nfs/dbraw/zinc/29/90/85/996299085.db2.gz WDTHURUHVCBXAA-GFCCVEGCSA-N -1 3 292.379 3.480 20 0 CGADHM C[C@@H](c1ncc(C(=O)[O-])s1)N(C)C[C@@H]1CC=CCC1 ZINC001593732118 996308456 /nfs/dbraw/zinc/30/84/56/996308456.db2.gz OGUMDVGWYNZDID-WDEREUQCSA-N -1 3 280.393 3.190 20 0 CGADHM CO[C@H]1CCCC[C@@H]1NCc1cc(C(=O)[O-])ccc1Cl ZINC001599325548 997656205 /nfs/dbraw/zinc/65/62/05/997656205.db2.gz KAYAKIDMCKXFDE-KBPBESRZSA-N -1 3 297.782 3.085 20 0 CGADHM COC[C@@H](CC(C)(C)C)N[C@@H](C)c1cc(C(=O)[O-])co1 ZINC001599162826 998488338 /nfs/dbraw/zinc/48/83/38/998488338.db2.gz LITKIMAHTWDXIN-CMPLNLGQSA-N -1 3 283.368 3.080 20 0 CGADHM Cc1ccc(C(=O)N(C)C[C@@H]2CC2(C)C)c([O-])c1C ZINC000621050811 349453018 /nfs/dbraw/zinc/45/30/18/349453018.db2.gz WZUZEFASZKUELH-LBPRGKRZSA-N -1 3 261.365 3.127 20 0 CGADHM Cc1cccc(C(=O)NCC(C)(C)CC(F)(F)F)c1[O-] ZINC000621229852 349478293 /nfs/dbraw/zinc/47/82/93/349478293.db2.gz KOFXRBXRFSWICY-UHFFFAOYSA-N -1 3 289.297 3.409 20 0 CGADHM Cc1ccc(NC(=O)COC[C@H](C)c2ccccc2)c([O-])c1 ZINC000650998673 398192051 /nfs/dbraw/zinc/19/20/51/398192051.db2.gz HNCJKIYYKGKKMR-AWEZNQCLSA-N -1 3 299.370 3.459 20 0 CGADHM C[C@H]1C[C@H](C(C)(C)C)CCN1C(=O)c1cc(F)c[n-]c1=O ZINC000622054906 349623857 /nfs/dbraw/zinc/62/38/57/349623857.db2.gz TWKFHQOSWLLEJV-WDEREUQCSA-N -1 3 294.370 3.213 20 0 CGADHM Cc1occc1C(=O)N=c1cc(-c2cc(C)cc(C)c2)[n-][nH]1 ZINC000338103600 214399829 /nfs/dbraw/zinc/39/98/29/214399829.db2.gz FBKADXJNVPTHCK-UHFFFAOYSA-N -1 3 295.342 3.269 20 0 CGADHM CCc1cnc(S(=O)(=O)[C@@H](CC)c2ccc(F)cc2)[n-]1 ZINC000125716068 187197364 /nfs/dbraw/zinc/19/73/64/187197364.db2.gz WHXIORZOGVWBSV-ZDUSSCGKSA-N -1 3 296.367 3.036 20 0 CGADHM CCc1c[n-]c(S(=O)(=O)[C@@H](CC)c2ccc(F)cc2)n1 ZINC000125716068 187197365 /nfs/dbraw/zinc/19/73/65/187197365.db2.gz WHXIORZOGVWBSV-ZDUSSCGKSA-N -1 3 296.367 3.036 20 0 CGADHM CCc1ccc(C(=O)Nc2ccc(F)cc2)c([O-])c1 ZINC000622273454 349666197 /nfs/dbraw/zinc/66/61/97/349666197.db2.gz OYHUENYQFRCDBV-UHFFFAOYSA-N -1 3 259.280 3.346 20 0 CGADHM CCN(C(=O)c1cc(C(F)(F)F)n[n-]1)c1ccccc1C ZINC000622313374 349671328 /nfs/dbraw/zinc/67/13/28/349671328.db2.gz KOXJDYLUSVBECW-UHFFFAOYSA-N -1 3 297.280 3.404 20 0 CGADHM CCN(C(=O)c1cc(C(F)(F)F)[n-]n1)c1ccccc1C ZINC000622313374 349671329 /nfs/dbraw/zinc/67/13/29/349671329.db2.gz KOXJDYLUSVBECW-UHFFFAOYSA-N -1 3 297.280 3.404 20 0 CGADHM CC[C@@H](CNCc1csc(C(C)(C)C)n1)CC(=O)[O-] ZINC000426650299 529490586 /nfs/dbraw/zinc/49/05/86/529490586.db2.gz BBRUNINXYPMYSF-SNVBAGLBSA-N -1 3 284.425 3.031 20 0 CGADHM CCc1cc(C(=O)N2[C@H](C)CC[C@H]2CC)ccc1[O-] ZINC000436704174 529515613 /nfs/dbraw/zinc/51/56/13/529515613.db2.gz JGDPCPHKAOVSIZ-BXUZGUMPSA-N -1 3 261.365 3.358 20 0 CGADHM CCc1cccc(NC(=O)c2ccc(C(C)=O)c([O-])c2)c1 ZINC000436853775 529542170 /nfs/dbraw/zinc/54/21/70/529542170.db2.gz SLCMZDKUIUDEPO-UHFFFAOYSA-N -1 3 283.327 3.410 20 0 CGADHM CCc1ccc(-c2nc(-c3cncc(C)c3)no2)c([O-])c1 ZINC000436847198 529575969 /nfs/dbraw/zinc/57/59/69/529575969.db2.gz ZRYGTRJSWPZMEC-UHFFFAOYSA-N -1 3 281.315 3.375 20 0 CGADHM CCc1ccc(C(=O)Nc2cc3n[nH]cc3cc2C)c([O-])c1 ZINC000436821375 529609844 /nfs/dbraw/zinc/60/98/44/529609844.db2.gz PEVDSUSLMVAQRC-UHFFFAOYSA-N -1 3 295.342 3.392 20 0 CGADHM CC[C@@H](NC(=O)c1ccc([O-])c(OC)c1)c1cccs1 ZINC000436637088 529670165 /nfs/dbraw/zinc/67/01/65/529670165.db2.gz VMTGZWJBRZJQLQ-LLVKDONJSA-N -1 3 291.372 3.343 20 0 CGADHM CCc1ccc(NC(=O)c2ccc(C(C)=O)c([O-])c2)cc1 ZINC000436866664 529686514 /nfs/dbraw/zinc/68/65/14/529686514.db2.gz ZNAYQSSDDNKACW-UHFFFAOYSA-N -1 3 283.327 3.410 20 0 CGADHM Cc1ccc([O-])c(CN2CC[C@@H](C(F)(F)F)C[C@@H]2C)n1 ZINC000295023956 199305183 /nfs/dbraw/zinc/30/51/83/199305183.db2.gz NJYPVKSVKYDCAI-WDEREUQCSA-N -1 3 288.313 3.258 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CCC[C@H]1c1cccn1C ZINC000623592492 349843584 /nfs/dbraw/zinc/84/35/84/349843584.db2.gz ODPGPTJVWAUZRG-AWEZNQCLSA-N -1 3 284.359 3.016 20 0 CGADHM CN(CCC1CCCCC1)C(=O)c1ccccc1[O-] ZINC000436631215 529877303 /nfs/dbraw/zinc/87/73/03/529877303.db2.gz STVJNXIZMYDWKN-UHFFFAOYSA-N -1 3 261.365 3.435 20 0 CGADHM Cc1ccc2c(c1)[C@@H](NC(=O)c1cccc(C)c1[O-])CC2 ZINC000592662396 347004478 /nfs/dbraw/zinc/00/44/78/347004478.db2.gz HGBDJQZMYWQLRO-INIZCTEOSA-N -1 3 281.355 3.426 20 0 CGADHM COC1(c2noc(-c3ccc(C)c(C)c3[O-])n2)CCC1 ZINC000273935267 192368742 /nfs/dbraw/zinc/36/87/42/192368742.db2.gz HSPZOFNSASYOPI-UHFFFAOYSA-N -1 3 274.320 3.085 20 0 CGADHM CC(C)c1nnc([N-]C(=O)c2cc(F)ccc2F)s1 ZINC000026571658 344907610 /nfs/dbraw/zinc/90/76/10/344907610.db2.gz SEODYSINJLTKRE-UHFFFAOYSA-N -1 3 283.303 3.192 20 0 CGADHM Cc1cc(C)c2cc(C(=O)[N-]c3cnoc3)sc2n1 ZINC000623942117 349922959 /nfs/dbraw/zinc/92/29/59/349922959.db2.gz VNPKZNVXIYGKQZ-UHFFFAOYSA-N -1 3 273.317 3.153 20 0 CGADHM Cc1cccc(-c2nc(=O)c3c4c(sc3[n-]2)CCCC4)n1 ZINC000054751949 345138558 /nfs/dbraw/zinc/13/85/58/345138558.db2.gz GGDFNHZILPRXPK-UHFFFAOYSA-N -1 3 297.383 3.234 20 0 CGADHM CCO[C@@H]1CCCN(C(=O)c2ccc(C(C)C)cc2[O-])C1 ZINC000063109376 345243114 /nfs/dbraw/zinc/24/31/14/345243114.db2.gz CKVOEGOLQZXUFY-CQSZACIVSA-N -1 3 291.391 3.157 20 0 CGADHM C[C@H]1CCC[C@H](N(C)Cc2nc(=O)c3sccc3[n-]2)C1 ZINC000026470624 232170360 /nfs/dbraw/zinc/17/03/60/232170360.db2.gz FTRZVSRRFHMFKG-QWRGUYRKSA-N -1 3 291.420 3.407 20 0 CGADHM CC[C@H]1CCCN(Cc2ccc(F)cc2C(=O)[O-])C1 ZINC000071264791 345402636 /nfs/dbraw/zinc/40/26/36/345402636.db2.gz GKRCRGVXEWZFDC-NSHDSACASA-N -1 3 265.328 3.146 20 0 CGADHM CC[C@@H]1CCCN(Cc2cc(C(=O)[O-])oc2C)CC1 ZINC000079348756 345638230 /nfs/dbraw/zinc/63/82/30/345638230.db2.gz ZMBQJRLAEWPQIS-GFCCVEGCSA-N -1 3 265.353 3.298 20 0 CGADHM CC[C@@H](C)C[C@@H](C)NC(=O)c1c[n-]c2ccccc2c1=O ZINC000080686978 345683609 /nfs/dbraw/zinc/68/36/09/345683609.db2.gz FTUIJRQWODMDEZ-VXGBXAGGSA-N -1 3 286.375 3.083 20 0 CGADHM [O-]C(=NOC1CCCC1)Nc1nc2ccccc2s1 ZINC000089265141 345767756 /nfs/dbraw/zinc/76/77/56/345767756.db2.gz CCXZNYQIWSRIHI-UHFFFAOYSA-N -1 3 277.349 3.292 20 0 CGADHM O=C([N-]OC1CCCC1)Nc1nc2ccccc2s1 ZINC000089265141 345767758 /nfs/dbraw/zinc/76/77/58/345767758.db2.gz CCXZNYQIWSRIHI-UHFFFAOYSA-N -1 3 277.349 3.292 20 0 CGADHM CCc1cccc(C(=O)Nc2ccccc2COC)c1[O-] ZINC000093970995 345893808 /nfs/dbraw/zinc/89/38/08/345893808.db2.gz IEMRQTVDNONOIQ-UHFFFAOYSA-N -1 3 285.343 3.353 20 0 CGADHM Cc1cccc(CN(C)Cc2ccc(C(=O)[O-])s2)c1 ZINC000109601691 345943260 /nfs/dbraw/zinc/94/32/60/345943260.db2.gz YAFLDVFOBIQBCT-UHFFFAOYSA-N -1 3 275.373 3.387 20 0 CGADHM Cc1ccc(C(=O)N2CCc3ccccc3CC2)c([O-])c1C ZINC000116454938 345978204 /nfs/dbraw/zinc/97/82/04/345978204.db2.gz QAXYICZVVLVLFB-UHFFFAOYSA-N -1 3 295.382 3.250 20 0 CGADHM O=[S@](CCOC1CCCCCC1)c1ccc([O-])cc1 ZINC000119960584 345996289 /nfs/dbraw/zinc/99/62/89/345996289.db2.gz NAZHNQZLSUBBJA-IBGZPJMESA-N -1 3 282.405 3.239 20 0 CGADHM Cc1cc(NC[C@@H](C)CC(=O)[O-])c2ccccc2n1 ZINC000147452415 346126485 /nfs/dbraw/zinc/12/64/85/346126485.db2.gz SKSUEBJGYNOXER-JTQLQIEISA-N -1 3 258.321 3.066 20 0 CGADHM CN(CC1CCCCC1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000172626565 346228250 /nfs/dbraw/zinc/22/82/50/346228250.db2.gz LAWBGLRVIBDHEY-UHFFFAOYSA-N -1 3 294.370 3.253 20 0 CGADHM Cc1ccc(NC(=O)[C@@H]2Cc3cc(C)c(C)cc3O2)c([O-])c1 ZINC000175058895 346247019 /nfs/dbraw/zinc/24/70/19/346247019.db2.gz ICETVBSHWHFDGE-KRWDZBQOSA-N -1 3 297.354 3.260 20 0 CGADHM CCn1nc(C)c(C(=O)Nc2cc(Cl)ccc2[O-])c1C ZINC000196638435 346276518 /nfs/dbraw/zinc/27/65/18/346276518.db2.gz LGVDEQGHVMEZMG-UHFFFAOYSA-N -1 3 293.754 3.131 20 0 CGADHM Cc1ccc(CN[C@@H](C(=O)[O-])c2ccc(C)cc2)cc1 ZINC000212211508 346285940 /nfs/dbraw/zinc/28/59/40/346285940.db2.gz STZOLMHCPGHPSQ-MRXNPFEDSA-N -1 3 269.344 3.219 20 0 CGADHM C[C@@H]1CCCN1Cc1ccc(C(=O)[O-])cc1Br ZINC000226720566 346307523 /nfs/dbraw/zinc/30/75/23/346307523.db2.gz VUZWUUSLAQRMEA-SECBINFHSA-N -1 3 298.180 3.132 20 0 CGADHM CC(C)[C@@]1(C(=O)[O-])CCN(Cc2ccc(F)c(Cl)c2)C1 ZINC000232783376 346327945 /nfs/dbraw/zinc/32/79/45/346327945.db2.gz ZTAOAZLIUGMEKF-OAHLLOKOSA-N -1 3 299.773 3.412 20 0 CGADHM C[C@@H]1CCN(Cc2ccc(F)cc2Cl)[C@@H](C(=O)[O-])C1 ZINC000229307257 346317127 /nfs/dbraw/zinc/31/71/27/346317127.db2.gz YRPMPVOKKVAZCC-NOZJJQNGSA-N -1 3 285.746 3.164 20 0 CGADHM C[C@@H]1CCC[C@H](NC(=O)NCc2ccc([O-])c(F)c2)[C@H]1C ZINC000247449810 346370596 /nfs/dbraw/zinc/37/05/96/346370596.db2.gz YXAXSJSAGIUOAN-SUNKGSAMSA-N -1 3 294.370 3.155 20 0 CGADHM C[C@H]1CCN(Cc2cc(Cl)ccc2F)[C@H](C(=O)[O-])C1 ZINC000300068804 346436265 /nfs/dbraw/zinc/43/62/65/346436265.db2.gz RNPAMYZOWFZQTI-ZANVPECISA-N -1 3 285.746 3.164 20 0 CGADHM Cc1cc(C(=O)Nc2cccc3ccn(C)c32)ccc1[O-] ZINC000351745127 219194053 /nfs/dbraw/zinc/19/40/53/219194053.db2.gz MQOIDUNWGFXHIW-UHFFFAOYSA-N -1 3 280.327 3.445 20 0 CGADHM C[C@H](c1ccccc1F)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000405300715 346603448 /nfs/dbraw/zinc/60/34/48/346603448.db2.gz SFBMUXUKAJZXLE-DGCLKSJQSA-N -1 3 277.339 3.073 20 0 CGADHM C[C@@H](c1ccccc1F)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000405300714 346603527 /nfs/dbraw/zinc/60/35/27/346603527.db2.gz SFBMUXUKAJZXLE-AAEUAGOBSA-N -1 3 277.339 3.073 20 0 CGADHM CO[C@@]1(C)C[C@@H](N(C)Cc2c(F)ccc([O-])c2F)C1(C)C ZINC000351767146 219200831 /nfs/dbraw/zinc/20/08/31/219200831.db2.gz UCLGNIDKNGKZIO-CJNGLKHVSA-N -1 3 299.361 3.306 20 0 CGADHM CCOC(=O)c1ncc(NC(=O)CCCCC(C)(C)C)[n-]1 ZINC000588019263 346745820 /nfs/dbraw/zinc/74/58/20/346745820.db2.gz AOATUJYVGAEQRA-UHFFFAOYSA-N -1 3 295.383 3.131 20 0 CGADHM CCOC(=O)c1nc(NC(=O)CCCCC(C)(C)C)c[n-]1 ZINC000588019263 346745823 /nfs/dbraw/zinc/74/58/23/346745823.db2.gz AOATUJYVGAEQRA-UHFFFAOYSA-N -1 3 295.383 3.131 20 0 CGADHM CC[C@H](C(=O)Nc1ccccc1[O-])N(C)Cc1ccccc1 ZINC000339263271 215048302 /nfs/dbraw/zinc/04/83/02/215048302.db2.gz GDYFXDLVPBJEHF-MRXNPFEDSA-N -1 3 298.386 3.241 20 0 CGADHM CC(C)SCCN1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]21 ZINC000594734293 347214977 /nfs/dbraw/zinc/21/49/77/347214977.db2.gz VVAAVKWTRUPRLQ-IHRRRGAJSA-N -1 3 285.453 3.093 20 0 CGADHM CN(C)c1ccccc1NCc1c(F)ccc([O-])c1F ZINC000351837041 219221034 /nfs/dbraw/zinc/22/10/34/219221034.db2.gz KZFADQTXYLIIKW-UHFFFAOYSA-N -1 3 278.302 3.349 20 0 CGADHM CC[C@H](SC)C(=O)Nc1ccc([O-])cc1Cl ZINC000597855409 347595769 /nfs/dbraw/zinc/59/57/69/347595769.db2.gz BKHXYFPEFUZYIN-JTQLQIEISA-N -1 3 259.758 3.126 20 0 CGADHM CC[C@@H](SC)C(=O)Nc1ccc([O-])cc1Cl ZINC000597855410 347595803 /nfs/dbraw/zinc/59/58/03/347595803.db2.gz BKHXYFPEFUZYIN-SNVBAGLBSA-N -1 3 259.758 3.126 20 0 CGADHM CCC[C@@H](C)CC(=O)Nc1n[n-]c(-c2ccccc2F)n1 ZINC000598914940 347699566 /nfs/dbraw/zinc/69/95/66/347699566.db2.gz SZGWEMUCKKEMPB-SNVBAGLBSA-N -1 3 290.342 3.376 20 0 CGADHM CCS[C@H]1CC[C@H](N(C)C(=O)c2c(C)cccc2[O-])C1 ZINC000599611858 347758024 /nfs/dbraw/zinc/75/80/24/347758024.db2.gz RNQLTJSKRBEVTI-STQMWFEESA-N -1 3 293.432 3.447 20 0 CGADHM Cc1cc(C)c(C[S@@](=O)c2ccc([O-])cc2)c(C)n1 ZINC000600903378 347844652 /nfs/dbraw/zinc/84/46/52/347844652.db2.gz HXKXOCHPJZGFRX-LJQANCHMSA-N -1 3 275.373 3.020 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CC[C@@H](c3ccco3)C2)c1 ZINC000601014684 347852494 /nfs/dbraw/zinc/85/24/94/347852494.db2.gz VITTVCLCIIOJFY-CYBMUJFWSA-N -1 3 285.343 3.177 20 0 CGADHM CSC1CCN(C(=O)c2ccc(C(C)C)cc2[O-])CC1 ZINC000601692127 347906448 /nfs/dbraw/zinc/90/64/48/347906448.db2.gz SPLDXWZJVIGPOB-UHFFFAOYSA-N -1 3 293.432 3.483 20 0 CGADHM Cc1cc(Cl)cc(CNCc2ncccc2[O-])c1 ZINC000339374678 215130920 /nfs/dbraw/zinc/13/09/20/215130920.db2.gz ATAHLTQAUQSXHJ-UHFFFAOYSA-N -1 3 262.740 3.039 20 0 CGADHM C[C@H](CCO)SCc1cc([O-])cc(C(F)(F)F)c1 ZINC000603321738 348071227 /nfs/dbraw/zinc/07/12/27/348071227.db2.gz TXNQPOKKVPRWFL-MRVPVSSYSA-N -1 3 280.311 3.415 20 0 CGADHM CCCn1c(=O)[n-]nc1S[C@H]1CCC[C@@H](C)C1 ZINC000605076081 348146540 /nfs/dbraw/zinc/14/65/40/348146540.db2.gz IHKAIVSZOLKLRZ-ZJUUUORDSA-N -1 3 255.387 3.065 20 0 CGADHM CSc1ccc([O-])c(C(=O)N2[C@H](C)CC[C@@H]2C)c1 ZINC000612311877 348509265 /nfs/dbraw/zinc/50/92/65/348509265.db2.gz RSSRCGYGOQZHBM-AOOOYVTPSA-N -1 3 265.378 3.127 20 0 CGADHM CCN=c1[n-]c(C(=O)N(CC(C)C)CC(C)(C)C)cs1 ZINC000612436105 348519946 /nfs/dbraw/zinc/51/99/46/348519946.db2.gz FCAOVPNEAOXCFH-UHFFFAOYSA-N -1 3 297.468 3.141 20 0 CGADHM CSc1ccc([O-])c(C(=O)N[C@H]2CCC(F)(F)C2)c1 ZINC000612490174 348522812 /nfs/dbraw/zinc/52/28/12/348522812.db2.gz FIZJTINMMWXDSN-QMMMGPOBSA-N -1 3 287.331 3.032 20 0 CGADHM C[C@@H]1CCC[C@@]1(C)C(=O)NCc1ccc([O-])c2ncccc12 ZINC000616024198 348782375 /nfs/dbraw/zinc/78/23/75/348782375.db2.gz ZIWBZYGVXVPJLM-KZULUSFZSA-N -1 3 298.386 3.383 20 0 CGADHM CCC1(C(=O)NCc2ccc([O-])c3ncccc23)CCC1 ZINC000616024977 348782636 /nfs/dbraw/zinc/78/26/36/348782636.db2.gz IVCRXYTXQFVEHU-UHFFFAOYSA-N -1 3 284.359 3.137 20 0 CGADHM CC(=O)c1ccc(C(=O)N[C@@]2(C)CCCC[C@H]2C)cc1[O-] ZINC000616189623 348796488 /nfs/dbraw/zinc/79/64/88/348796488.db2.gz RDCHTBWOEITZBT-DIFFPNOSSA-N -1 3 289.375 3.293 20 0 CGADHM C[C@@H](C(=O)Nc1ccc([O-])cc1Cl)C1CCOCC1 ZINC000616941083 348885137 /nfs/dbraw/zinc/88/51/37/348885137.db2.gz QKRKZUMZSGBCPG-SECBINFHSA-N -1 3 283.755 3.047 20 0 CGADHM CC(C)c1ccc(C(=O)NC[C@H](C)c2ccccn2)c([O-])c1 ZINC000617075837 348913627 /nfs/dbraw/zinc/91/36/27/348913627.db2.gz VIHONSSARQFKBQ-ZDUSSCGKSA-N -1 3 298.386 3.444 20 0 CGADHM O=C(N[C@H]1CCCC12CCCCC2)c1csc(=O)[n-]1 ZINC000617106593 348920539 /nfs/dbraw/zinc/92/05/39/348920539.db2.gz HQYCHBCGOGNUFN-NSHDSACASA-N -1 3 280.393 3.082 20 0 CGADHM Cc1ccc(C=Cc2cc(=O)[n-]c(-c3ccncc3)n2)s1 ZINC000352014565 219290865 /nfs/dbraw/zinc/29/08/65/219290865.db2.gz QUFJFSLFTJFTOJ-HYXAFXHYSA-N -1 3 295.367 3.372 20 0 CGADHM O=c1cc(C=Cc2ccsc2)nc(-c2ccncc2)[n-]1 ZINC000352026170 219293227 /nfs/dbraw/zinc/29/32/27/219293227.db2.gz JGBJMRNWWLOAFF-UPHRSURJSA-N -1 3 281.340 3.064 20 0 CGADHM CC[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)C1CC1 ZINC000618871476 349171343 /nfs/dbraw/zinc/17/13/43/349171343.db2.gz LXFFYDGCIXXTJW-AWEZNQCLSA-N -1 3 279.355 3.159 20 0 CGADHM CCOc1ccc(C=Cc2nc(C)cc(=O)[n-]2)cc1F ZINC000352035430 219296293 /nfs/dbraw/zinc/29/62/93/219296293.db2.gz QVSYOFBCYAWVKO-ALCCZGGFSA-N -1 3 274.295 3.199 20 0 CGADHM Cc1ccc(C(=O)Nc2ccnn2C(C)(C)C)c([O-])c1C ZINC000620619699 349396124 /nfs/dbraw/zinc/39/61/24/349396124.db2.gz SENXYSKRWZFSFN-UHFFFAOYSA-N -1 3 287.363 3.213 20 0 CGADHM CC1(c2noc(Cc3ccc([O-])c(F)c3)n2)CCCC1 ZINC000624760989 350101643 /nfs/dbraw/zinc/10/16/43/350101643.db2.gz OZDAMOATADOXPJ-UHFFFAOYSA-N -1 3 276.311 3.337 20 0 CGADHM [O-]c1ccc(Cl)c(CN2CCC[C@@H](OC(F)F)C2)c1 ZINC000625307467 350157195 /nfs/dbraw/zinc/15/71/95/350157195.db2.gz DWNZAFVTTIFBDE-LLVKDONJSA-N -1 3 291.725 3.249 20 0 CGADHM [O-]c1ccc(Cl)c(CN2CCO[C@H](C3CCC3)C2)c1 ZINC000625469572 350177315 /nfs/dbraw/zinc/17/73/15/350177315.db2.gz VFWXBMYPNLDTNY-HNNXBMFYSA-N -1 3 281.783 3.047 20 0 CGADHM CCCCC[C@@H]1CCCN1Cc1nc(CC)cc(=O)[n-]1 ZINC000486809978 535122979 /nfs/dbraw/zinc/12/29/79/535122979.db2.gz QCYCNSWLEMVMIS-CQSZACIVSA-N -1 3 277.412 3.289 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1Cc2ccccc2O[C@@H](C)C1 ZINC000627506368 350362392 /nfs/dbraw/zinc/36/23/92/350362392.db2.gz MQZCIIQJKCQEQW-ZDUSSCGKSA-N -1 3 297.354 3.124 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1C[C@H](C(C)C)[C@@H]1C(C)C ZINC000627641953 350372996 /nfs/dbraw/zinc/37/29/96/350372996.db2.gz ZFBOBPPLBYESJI-CJNGLKHVSA-N -1 3 275.392 3.453 20 0 CGADHM Cc1ccc2c(c1)CN(C(=O)c1c(C)cccc1[O-])CC2 ZINC000628058145 350395438 /nfs/dbraw/zinc/39/54/38/350395438.db2.gz ZOCOYLQBDHLOLD-UHFFFAOYSA-N -1 3 281.355 3.208 20 0 CGADHM Cc1cccc([O-])c1C(=O)NC1CCC2(CC2(F)F)CC1 ZINC000628116626 350399949 /nfs/dbraw/zinc/39/99/49/350399949.db2.gz XYZNIPNOSVXYCF-UHFFFAOYSA-N -1 3 295.329 3.398 20 0 CGADHM C[C@]1(CNC(=O)c2cc([O-])ccc2Cl)C[C@H]2C[C@H]2C1 ZINC000629046244 350642990 /nfs/dbraw/zinc/64/29/90/350642990.db2.gz HGGHWFNGERUHBH-RTUWITSCSA-N -1 3 279.767 3.212 20 0 CGADHM CCCC[C@@H](CC)CSc1nc2c(cnn2C)c(=O)[n-]1 ZINC000629216145 350670158 /nfs/dbraw/zinc/67/01/58/350670158.db2.gz CKPDNLBYAXDDBT-SNVBAGLBSA-N -1 3 294.424 3.377 20 0 CGADHM O=C([O-])[C@H](c1ccccc1F)N1CCCC(F)(F)CC1 ZINC000629368812 350680596 /nfs/dbraw/zinc/68/05/96/350680596.db2.gz WVCRKUKASYRIMA-LBPRGKRZSA-N -1 3 287.281 3.073 20 0 CGADHM CCc1ccc(C)nc1[N-]C(=O)c1ocnc1C(F)F ZINC000630015317 350797042 /nfs/dbraw/zinc/79/70/42/350797042.db2.gz CGRHSVGASZYVOC-UHFFFAOYSA-N -1 3 281.262 3.130 20 0 CGADHM C[C@H](CN(C)C(=O)c1cc(F)c[n-]c1=O)C1CCCCC1 ZINC000630025193 350798504 /nfs/dbraw/zinc/79/85/04/350798504.db2.gz PBUSDFJOBMORQK-LLVKDONJSA-N -1 3 294.370 3.215 20 0 CGADHM Cc1sc2[n-]c([C@@H]3CC[C@H](C)O3)nc(=O)c2c1C ZINC000630385785 350831236 /nfs/dbraw/zinc/83/12/36/350831236.db2.gz SJHOHPDWYADEGT-RCOVLWMOSA-N -1 3 264.350 3.254 20 0 CGADHM Cc1ccc(CN[C@H](C)CCCCC(=O)[O-])c(F)c1 ZINC000630451206 350841561 /nfs/dbraw/zinc/84/15/61/350841561.db2.gz MWDVDMVNAJPIKL-GFCCVEGCSA-N -1 3 267.344 3.257 20 0 CGADHM C[C@H](CCCC(=O)[O-])NCc1c(F)ccc(F)c1Cl ZINC000630450148 350841926 /nfs/dbraw/zinc/84/19/26/350841926.db2.gz ACMMWWVWCXGTNP-MRVPVSSYSA-N -1 3 291.725 3.351 20 0 CGADHM CC(C)[C@@H](C)N(C)C(=O)c1cc([O-])ccc1Cl ZINC000232696532 535157562 /nfs/dbraw/zinc/15/75/62/535157562.db2.gz ISACNKIFUVGVEK-SECBINFHSA-N -1 3 255.745 3.162 20 0 CGADHM CCc1cc(C(=O)N2CCC(CCF)CC2)ccc1[O-] ZINC000633962395 351405575 /nfs/dbraw/zinc/40/55/75/351405575.db2.gz XXUOFZHDQDZDJB-UHFFFAOYSA-N -1 3 279.355 3.166 20 0 CGADHM CC(C)c1ccc(C(=O)N2CCC(C)(F)CC2)c([O-])c1 ZINC000634359569 351474701 /nfs/dbraw/zinc/47/47/01/351474701.db2.gz CHYKICQBLOBMCS-UHFFFAOYSA-N -1 3 279.355 3.480 20 0 CGADHM CC[C@H](CC(=O)[N-]OC/C=C/Cl)c1ccccc1 ZINC000291434891 198021324 /nfs/dbraw/zinc/02/13/24/198021324.db2.gz AQJKWYQATIIJRK-UVMWJGKXSA-N -1 3 267.756 3.371 20 0 CGADHM CCc1[n-]n(-c2ccnc(C(F)(F)F)c2)c(=O)c1C(C)C ZINC000634618242 351546276 /nfs/dbraw/zinc/54/62/76/351546276.db2.gz KPBOQBDKBHSJJS-LBPRGKRZSA-N -1 3 299.296 3.485 20 0 CGADHM O=C([O-])CCCCNCc1cnc(C2CCCC2)s1 ZINC000635314282 351649821 /nfs/dbraw/zinc/64/98/21/351649821.db2.gz XJTPBJJNTMYPDI-UHFFFAOYSA-N -1 3 282.409 3.145 20 0 CGADHM Cc1cc(Cl)cnc1NC([O-])=NOC1CCCC1 ZINC000291586480 198043202 /nfs/dbraw/zinc/04/32/02/198043202.db2.gz WXIOKCSCXWGBHL-UHFFFAOYSA-N -1 3 269.732 3.039 20 0 CGADHM Cc1cc(Cl)cnc1NC(=O)[N-]OC1CCCC1 ZINC000291586480 198043204 /nfs/dbraw/zinc/04/32/04/198043204.db2.gz WXIOKCSCXWGBHL-UHFFFAOYSA-N -1 3 269.732 3.039 20 0 CGADHM CCc1cc(C(=O)N(C)[C@H](CC)CSC)ccc1[O-] ZINC000291726525 198072287 /nfs/dbraw/zinc/07/22/87/198072287.db2.gz RLTISAHVCMBCGY-CYBMUJFWSA-N -1 3 281.421 3.168 20 0 CGADHM C[C@@H](CC(=O)[N-]OC/C=C/Cl)Cc1cccc(F)c1 ZINC000291728839 198072300 /nfs/dbraw/zinc/07/23/00/198072300.db2.gz FLKSFWUIFKXGCT-ZXCPCRMDSA-N -1 3 285.746 3.195 20 0 CGADHM CC(C)c1ncc(C(=O)[N-]c2nnc(C(C)C)s2)s1 ZINC000123165246 187075140 /nfs/dbraw/zinc/07/51/40/187075140.db2.gz MOUKQYIKAKCHSY-UHFFFAOYSA-N -1 3 296.421 3.494 20 0 CGADHM CCCc1nnc([N-]C(=O)c2cnc(C(C)C)s2)s1 ZINC000122373254 187028996 /nfs/dbraw/zinc/02/89/96/187028996.db2.gz FZODVHLGANGHPO-UHFFFAOYSA-N -1 3 296.421 3.323 20 0 CGADHM O=C(CCc1ccc(Cl)cc1)[N-]OC/C=C/Cl ZINC000291867450 198089814 /nfs/dbraw/zinc/08/98/14/198089814.db2.gz PGTBJPACQVUNKJ-UNXLUWIOSA-N -1 3 274.147 3.073 20 0 CGADHM CCOc1cc(NC(=O)[N-]OC[C@H](C)CC)ccc1OC ZINC000291756614 198082176 /nfs/dbraw/zinc/08/21/76/198082176.db2.gz KYZFHRWFYCRVNA-LLVKDONJSA-N -1 3 296.367 3.193 20 0 CGADHM CCC(CC)N(CC)C(=O)c1ccc([O-])c(OC)c1 ZINC000292012252 198134325 /nfs/dbraw/zinc/13/43/25/198134325.db2.gz BRBUPDDRBGWPFN-UHFFFAOYSA-N -1 3 265.353 3.052 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)CCCc1cccs1 ZINC000292115199 198168213 /nfs/dbraw/zinc/16/82/13/198168213.db2.gz NVXADBZCYAERNG-NSHDSACASA-N -1 3 255.383 3.165 20 0 CGADHM CC(C)c1noc([N-][C@@H](C)[C@@H]2OCCc3sccc32)n1 ZINC000292166546 198188291 /nfs/dbraw/zinc/18/82/91/198188291.db2.gz DJMHXHMFYDGKIS-CABZTGNLSA-N -1 3 293.392 3.369 20 0 CGADHM CC1(C)CN(C(=O)c2ccccc2[O-])[C@@H]1c1cccnc1 ZINC000292246835 198216442 /nfs/dbraw/zinc/21/64/42/198216442.db2.gz FAPKKRHADCTFTL-OAHLLOKOSA-N -1 3 282.343 3.011 20 0 CGADHM Cc1ccc([O-])c(CN2CCC[C@H]2c2ccsc2)n1 ZINC000153535807 188088371 /nfs/dbraw/zinc/08/83/71/188088371.db2.gz HYYMNGMELYNICU-AWEZNQCLSA-N -1 3 274.389 3.494 20 0 CGADHM CC(C)(C)C[C@H](O)CC(=O)Nc1ccc(Cl)cc1[O-] ZINC000292358990 198258660 /nfs/dbraw/zinc/25/86/60/198258660.db2.gz YNSNURIOBPZNGL-SNVBAGLBSA-N -1 3 285.771 3.171 20 0 CGADHM CCCc1ccccc1NC([O-])=NO[C@H]1CCCCO1 ZINC000155665574 188220087 /nfs/dbraw/zinc/22/00/87/188220087.db2.gz MIRAKOBIBPLCON-AWEZNQCLSA-N -1 3 278.352 3.219 20 0 CGADHM CCCc1ccccc1NC(=O)[N-]O[C@H]1CCCCO1 ZINC000155665574 188220088 /nfs/dbraw/zinc/22/00/88/188220088.db2.gz MIRAKOBIBPLCON-AWEZNQCLSA-N -1 3 278.352 3.219 20 0 CGADHM CCC[C@H]1CCCN(C(=O)c2cccc(OC)c2[O-])C1 ZINC000155380559 188202889 /nfs/dbraw/zinc/20/28/89/188202889.db2.gz TWWLAFULORZYLI-LBPRGKRZSA-N -1 3 277.364 3.053 20 0 CGADHM COc1ccc([C@@H](C)CC(=O)[N-]OC2CCCC2)cc1 ZINC000271742616 191302318 /nfs/dbraw/zinc/30/23/18/191302318.db2.gz IWYPHRAWTBHFGM-LBPRGKRZSA-N -1 3 277.364 3.179 20 0 CGADHM CCc1noc(C)c1[N-]C(=O)c1scnc1C(C)C ZINC000410619344 235001077 /nfs/dbraw/zinc/00/10/77/235001077.db2.gz OWQLUZNIYAOXTQ-UHFFFAOYSA-N -1 3 279.365 3.378 20 0 CGADHM Cc1ccc(F)c(NC([O-])=NOC2CCCC2)c1 ZINC000271834117 191355006 /nfs/dbraw/zinc/35/50/06/191355006.db2.gz SPFJNEGWAFLIKQ-UHFFFAOYSA-N -1 3 252.289 3.130 20 0 CGADHM Cc1ccc(F)c(NC(=O)[N-]OC2CCCC2)c1 ZINC000271834117 191355009 /nfs/dbraw/zinc/35/50/09/191355009.db2.gz SPFJNEGWAFLIKQ-UHFFFAOYSA-N -1 3 252.289 3.130 20 0 CGADHM CC[C@H]1C[C@H](c2nc(-c3ccc([O-])cc3)no2)CCO1 ZINC000272508045 191758493 /nfs/dbraw/zinc/75/84/93/191758493.db2.gz VQFJYPYIBHXHQV-YPMHNXCESA-N -1 3 274.320 3.115 20 0 CGADHM CCCCCOCC(=O)Nc1cc(Cl)ccc1[O-] ZINC000123955384 138372062 /nfs/dbraw/zinc/37/20/62/138372062.db2.gz CIRBMHMVYNCVLL-UHFFFAOYSA-N -1 3 271.744 3.191 20 0 CGADHM CC(C)=CCN1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000127768034 138390991 /nfs/dbraw/zinc/39/09/91/138390991.db2.gz BNIIICLRTNFWSJ-UHFFFAOYSA-N -1 3 273.376 3.253 20 0 CGADHM CCC[C@H]1CCC[C@@H]1C(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000294331875 199001751 /nfs/dbraw/zinc/00/17/51/199001751.db2.gz ACWMJIXPNVIPGH-RYUDHWBXSA-N -1 3 299.378 3.022 20 0 CGADHM CCC[C@H]1CCC[C@@H]1C(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000294331875 199001753 /nfs/dbraw/zinc/00/17/53/199001753.db2.gz ACWMJIXPNVIPGH-RYUDHWBXSA-N -1 3 299.378 3.022 20 0 CGADHM CCC[C@H]1CCC[C@@H]1C(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000294331875 199001755 /nfs/dbraw/zinc/00/17/55/199001755.db2.gz ACWMJIXPNVIPGH-RYUDHWBXSA-N -1 3 299.378 3.022 20 0 CGADHM CC(C)c1cc(C(=O)N2CCCOC2)c([O-])c(C(C)C)c1 ZINC000294435635 199038816 /nfs/dbraw/zinc/03/88/16/199038816.db2.gz PDLQNMLLJZCPPR-UHFFFAOYSA-N -1 3 291.391 3.459 20 0 CGADHM Cc1cc(F)c(CN[C@@H](C)CCCC(=O)[O-])c(F)c1 ZINC000424627326 236173737 /nfs/dbraw/zinc/17/37/37/236173737.db2.gz VQNWYNBVUIWBCS-JTQLQIEISA-N -1 3 271.307 3.006 20 0 CGADHM Cc1cc(F)c(CNC[C@H](CC(C)C)C(=O)[O-])c(F)c1 ZINC000424628373 236173832 /nfs/dbraw/zinc/17/38/32/236173832.db2.gz WQXNPDQSUJIDTF-NSHDSACASA-N -1 3 285.334 3.110 20 0 CGADHM CC1(C)CN(C(=O)c2cccc([O-])c2)[C@@H]2CCC[C@@H]21 ZINC000294557750 199085589 /nfs/dbraw/zinc/08/55/89/199085589.db2.gz DLYDCRZMNCSBPJ-UONOGXRCSA-N -1 3 259.349 3.043 20 0 CGADHM Cc1ccc(F)c(CNCCc2ccccc2C(=O)[O-])c1 ZINC000426669400 236305232 /nfs/dbraw/zinc/30/52/32/236305232.db2.gz LUUFEEIILBGKAK-UHFFFAOYSA-N -1 3 287.334 3.165 20 0 CGADHM CC(C)ON=C([O-])Nc1ccc(SC(F)F)cc1 ZINC000296134328 199794043 /nfs/dbraw/zinc/79/40/43/199794043.db2.gz JBGRLTRIQIJOHE-UHFFFAOYSA-N -1 3 276.308 3.463 20 0 CGADHM CC(C)O[N-]C(=O)Nc1ccc(SC(F)F)cc1 ZINC000296134328 199794045 /nfs/dbraw/zinc/79/40/45/199794045.db2.gz JBGRLTRIQIJOHE-UHFFFAOYSA-N -1 3 276.308 3.463 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)[C@H]2CCC(C)(C)O2)c1[O-] ZINC000426966548 236320023 /nfs/dbraw/zinc/32/00/23/236320023.db2.gz YVFSKJHSQQXWOK-LLVKDONJSA-N -1 3 283.755 3.250 20 0 CGADHM Cc1cc(C(=O)Nc2c(C)cccc2[O-])nn1C(C)C ZINC000336186643 213004890 /nfs/dbraw/zinc/00/48/90/213004890.db2.gz NVRNZIQLIFPEQE-UHFFFAOYSA-N -1 3 273.336 3.039 20 0 CGADHM Cc1ccc(Cc2noc(/C=C/c3cccc([O-])c3)n2)cn1 ZINC000435961908 237007253 /nfs/dbraw/zinc/00/72/53/237007253.db2.gz WSBYLYMTDDSMNE-BQYQJAHWSA-N -1 3 293.326 3.240 20 0 CGADHM Cc1cc([C@@H](C)NC(=O)c2ccc(O)cc2[O-])ccc1F ZINC000436624300 237146706 /nfs/dbraw/zinc/14/67/06/237146706.db2.gz JEAIURIIZSVJGW-SNVBAGLBSA-N -1 3 289.306 3.036 20 0 CGADHM Cc1ccc(C(=O)NCCCNc2ccccc2)c([O-])c1C ZINC000436555742 237126731 /nfs/dbraw/zinc/12/67/31/237126731.db2.gz NUSZKHFFCFPKJW-UHFFFAOYSA-N -1 3 298.386 3.241 20 0 CGADHM Cc1ccc(C(=O)Nc2ccc(C)c(O)c2)c([O-])c1C ZINC000436585576 237136712 /nfs/dbraw/zinc/13/67/12/237136712.db2.gz KBULXZOZUCPEGM-UHFFFAOYSA-N -1 3 271.316 3.275 20 0 CGADHM COc1cccc2c1CC[C@@H]2NC(=O)c1cc(C)ccc1[O-] ZINC000436584051 237137331 /nfs/dbraw/zinc/13/73/31/237137331.db2.gz GGQOHFJZRHQGSD-HNNXBMFYSA-N -1 3 297.354 3.127 20 0 CGADHM Cc1ccccc1C(C)(C)CNC(=O)c1c([O-])cccc1O ZINC000436669795 237158309 /nfs/dbraw/zinc/15/83/09/237158309.db2.gz NXWROPURTMELGF-UHFFFAOYSA-N -1 3 299.370 3.114 20 0 CGADHM Cc1ccc(C(=O)NCC2(c3ccccc3C)CC2)c([O-])c1 ZINC000436710322 237163420 /nfs/dbraw/zinc/16/34/20/237163420.db2.gz SCZXGMGRFDWZLE-UHFFFAOYSA-N -1 3 295.382 3.471 20 0 CGADHM Cc1cc(C(=O)N2CC[C@@]3(CC[C@@H](C)C3)C2)ccc1[O-] ZINC000436722726 237167292 /nfs/dbraw/zinc/16/72/92/237167292.db2.gz OXTVZVLPJYTFQS-SJKOYZFVSA-N -1 3 273.376 3.353 20 0 CGADHM O=C(NCc1ccc(Cl)cc1F)c1ccccc1[O-] ZINC000436728550 237169943 /nfs/dbraw/zinc/16/99/43/237169943.db2.gz AXJJUXXREOOJQT-UHFFFAOYSA-N -1 3 279.698 3.115 20 0 CGADHM CSc1cccc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000436737230 237170711 /nfs/dbraw/zinc/17/07/11/237170711.db2.gz PRSACPFLKLUGHO-UHFFFAOYSA-N -1 3 274.345 3.070 20 0 CGADHM O=C(NCc1c(F)cccc1Cl)c1ccccc1[O-] ZINC000436759469 237175243 /nfs/dbraw/zinc/17/52/43/237175243.db2.gz BOYOIRHJJBNAQF-UHFFFAOYSA-N -1 3 279.698 3.115 20 0 CGADHM Cc1ccc(F)c(CN(C)C(=O)c2ccccc2[O-])c1 ZINC000436860966 237197232 /nfs/dbraw/zinc/19/72/32/237197232.db2.gz ROZBETDFMHWAGG-UHFFFAOYSA-N -1 3 273.307 3.112 20 0 CGADHM O=C(N[C@H]1CC=CCC1)c1cc2c(cc1[O-])CCCC2 ZINC000436875176 237201165 /nfs/dbraw/zinc/20/11/65/237201165.db2.gz STQXZIDNWBEAPZ-AWEZNQCLSA-N -1 3 271.360 3.110 20 0 CGADHM O=C(N[C@@H]1CC=CCC1)c1cc2c(cc1[O-])CCCC2 ZINC000436875178 237201952 /nfs/dbraw/zinc/20/19/52/237201952.db2.gz STQXZIDNWBEAPZ-CQSZACIVSA-N -1 3 271.360 3.110 20 0 CGADHM COc1cc(Cc2noc(-c3ccccc3[O-])n2)ccc1C ZINC000436893418 237203102 /nfs/dbraw/zinc/20/31/02/237203102.db2.gz ARRXSIWBDIIKRN-UHFFFAOYSA-N -1 3 296.326 3.350 20 0 CGADHM Cc1ccccc1[C@@H](NC(=O)c1ccc(O)cc1[O-])C1CC1 ZINC000436919475 237207393 /nfs/dbraw/zinc/20/73/93/237207393.db2.gz NXTAZAMIAQZLBQ-KRWDZBQOSA-N -1 3 297.354 3.287 20 0 CGADHM Cc1ccccc1[C@H](NC(=O)c1ccc(O)cc1[O-])C1CC1 ZINC000436919476 237207675 /nfs/dbraw/zinc/20/76/75/237207675.db2.gz NXTAZAMIAQZLBQ-QGZVFWFLSA-N -1 3 297.354 3.287 20 0 CGADHM Cc1ccc(C(=O)N[C@@H](C)c2c(F)cccc2F)c([O-])c1 ZINC000436917855 237209524 /nfs/dbraw/zinc/20/95/24/237209524.db2.gz CGXKRQKWTZGGBH-JTQLQIEISA-N -1 3 291.297 3.470 20 0 CGADHM Cc1ccccc1O[C@H](C)CNC(=O)c1ccc([O-])c(C)c1 ZINC000436940232 237216574 /nfs/dbraw/zinc/21/65/74/237216574.db2.gz VFGQSSIGZHJSPA-CQSZACIVSA-N -1 3 299.370 3.206 20 0 CGADHM Cc1cc(C)cc(NC(=O)c2c[n-]nc2-c2ccncc2)c1 ZINC000341656181 216052252 /nfs/dbraw/zinc/05/22/52/216052252.db2.gz KODMZOHDNUTGDZ-UHFFFAOYSA-N -1 3 292.342 3.341 20 0 CGADHM Cc1cc(C)cc(NC(=O)c2cn[n-]c2-c2ccncc2)c1 ZINC000341656181 216052255 /nfs/dbraw/zinc/05/22/55/216052255.db2.gz KODMZOHDNUTGDZ-UHFFFAOYSA-N -1 3 292.342 3.341 20 0 CGADHM CC[C@@H](C)CON=C([O-])Nc1cc(C2CC2)ccn1 ZINC000297468426 200200557 /nfs/dbraw/zinc/20/05/57/200200557.db2.gz RUVIRRIRLFNYKK-SNVBAGLBSA-N -1 3 263.341 3.058 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)Nc1cc(C2CC2)ccn1 ZINC000297468426 200200559 /nfs/dbraw/zinc/20/05/59/200200559.db2.gz RUVIRRIRLFNYKK-SNVBAGLBSA-N -1 3 263.341 3.058 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCC=C(c3ccccc3)C2)n1 ZINC000341987675 216180106 /nfs/dbraw/zinc/18/01/06/216180106.db2.gz HFBFIXSYFXAWBI-CQSZACIVSA-N -1 3 295.386 3.341 20 0 CGADHM CC(C)(C)c1cc2c([n-]c([C@H]3CCCO3)nc2=O)s1 ZINC000178985728 189159475 /nfs/dbraw/zinc/15/94/75/189159475.db2.gz LAAJAKQYKYPAPX-SECBINFHSA-N -1 3 278.377 3.134 20 0 CGADHM CC(C)Cc1csc2[n-]c([C@@H]3CCCO3)nc(=O)c12 ZINC000178984253 189159772 /nfs/dbraw/zinc/15/97/72/189159772.db2.gz UZEZWMHDDXKQBU-JTQLQIEISA-N -1 3 278.377 3.035 20 0 CGADHM CCC(CC)c1nnc([N-]C(=O)c2csnc2C)s1 ZINC000179492979 189197630 /nfs/dbraw/zinc/19/76/30/189197630.db2.gz WGNHMGRTXKLCMI-UHFFFAOYSA-N -1 3 296.421 3.459 20 0 CGADHM O=C(C=C1CCC1)Nc1cc(Br)ccc1[O-] ZINC000179656880 189210472 /nfs/dbraw/zinc/21/04/72/189210472.db2.gz OGIPWCROBKMFOF-UHFFFAOYSA-N -1 3 282.137 3.204 20 0 CGADHM CCc1nc(C)c([C@H](C)N(C)CCCCC(=O)[O-])s1 ZINC000181587502 189301704 /nfs/dbraw/zinc/30/17/04/189301704.db2.gz RRQNVOODDIKVET-NSHDSACASA-N -1 3 284.425 3.262 20 0 CGADHM CC(C)(C)OCC(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000182445439 189324320 /nfs/dbraw/zinc/32/43/20/189324320.db2.gz NXUJVUJWWRXPMN-UHFFFAOYSA-N -1 3 291.269 3.165 20 0 CGADHM CCO[N-]C(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 ZINC000182982318 189341725 /nfs/dbraw/zinc/34/17/25/189341725.db2.gz GFZMQXLKXNSWMD-UHFFFAOYSA-N -1 3 277.324 3.198 20 0 CGADHM CC(=O)c1ccc(C(=O)Nc2ccc(F)cc2C)cc1[O-] ZINC000335663758 212382743 /nfs/dbraw/zinc/38/27/43/212382743.db2.gz RLJXDWDZQDNDEB-UHFFFAOYSA-N -1 3 287.290 3.295 20 0 CGADHM O=c1[n-]nc(C2CCN(CC/C=C\c3ccccc3)CC2)o1 ZINC000450927987 240154582 /nfs/dbraw/zinc/15/45/82/240154582.db2.gz QHXJHBVODYMDJY-YWEYNIOJSA-N -1 3 299.374 3.058 20 0 CGADHM C[C@@H]1CCC[C@@H](CNC(=O)Cc2ccc([O-])c(F)c2)[C@@H]1C ZINC000451369998 240284029 /nfs/dbraw/zinc/28/40/29/240284029.db2.gz BCSZIOYNBBTQDW-BZPMIXESSA-N -1 3 293.382 3.262 20 0 CGADHM Cc1ccc(NC(=O)[C@@H]2CCC(=O)[C@@H](C)C2(C)C)c([O-])c1 ZINC000275395319 193020552 /nfs/dbraw/zinc/02/05/52/193020552.db2.gz AJIJLDLHXYHKEH-NEPJUHHUSA-N -1 3 289.375 3.281 20 0 CGADHM CC1(C)CC=C(C(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC000455992912 241341220 /nfs/dbraw/zinc/34/12/20/241341220.db2.gz PVMGUCVTJIEUER-UHFFFAOYSA-N -1 3 277.339 3.284 20 0 CGADHM O=c1cc(CN2CCC[C@@H]3CCCC[C@@H]32)nc(C2CC2)[n-]1 ZINC000459288674 242056379 /nfs/dbraw/zinc/05/63/79/242056379.db2.gz JJIMSRCKBUESKE-WFASDCNBSA-N -1 3 287.407 3.214 20 0 CGADHM C[C@H]1CN(Cc2cc(=O)[n-]c(C3CC3)n2)[C@@H]1c1ccccc1 ZINC000459364496 242090361 /nfs/dbraw/zinc/09/03/61/242090361.db2.gz SLRSKMFQXGEHDQ-SJCJKPOMSA-N -1 3 295.386 3.253 20 0 CGADHM CCOc1cc(CNCc2cnc(C)o2)cc(Cl)c1[O-] ZINC000459678080 242176576 /nfs/dbraw/zinc/17/65/76/242176576.db2.gz QQAXEQVNHRYCHG-UHFFFAOYSA-N -1 3 296.754 3.031 20 0 CGADHM Cc1ccc([O-])c(C(=O)NCC(C)(C)c2ncccc2C)c1 ZINC000461450709 242306892 /nfs/dbraw/zinc/30/68/92/242306892.db2.gz ARJLMSOZAXZQJE-UHFFFAOYSA-N -1 3 298.386 3.112 20 0 CGADHM CCCn1c(SCCC(C)(C)CC)n[n-]c1=O ZINC000463039284 242382687 /nfs/dbraw/zinc/38/26/87/242382687.db2.gz SFBMFECPFRVHAF-UHFFFAOYSA-N -1 3 257.403 3.312 20 0 CGADHM C/C=C/c1ccc(NC(=O)NCc2ncccc2[O-])cc1 ZINC000353275570 220002008 /nfs/dbraw/zinc/00/20/08/220002008.db2.gz RWBSBZHHNZILQI-DUXPYHPUSA-N -1 3 283.331 3.142 20 0 CGADHM CCc1[n-][nH]c(=NC(=O)[C@@H](CC2CCCC2)C(C)C)c1C ZINC000477192449 243037303 /nfs/dbraw/zinc/03/73/03/243037303.db2.gz LVMLIRRVBDHGSF-AWEZNQCLSA-N -1 3 291.439 3.493 20 0 CGADHM CC(C)[C@H]1N(C(=O)Cc2ccc([O-])cc2Cl)CC1(C)C ZINC000480521478 243152419 /nfs/dbraw/zinc/15/24/19/243152419.db2.gz SYPJTDMTSJDXFU-OAHLLOKOSA-N -1 3 295.810 3.481 20 0 CGADHM C[C@@H](c1ccc(Cl)cc1)N1CCC[C@H](C(=O)[O-])C1 ZINC000003750433 368519211 /nfs/dbraw/zinc/51/92/11/368519211.db2.gz FMJMEJQBWFHWIN-JQWIXIFHSA-N -1 3 267.756 3.198 20 0 CGADHM Cc1ccsc1-c1nc(-c2ccc([O-])cc2)no1 ZINC000034956038 368981605 /nfs/dbraw/zinc/98/16/05/368981605.db2.gz UOHLTZCENFBONA-UHFFFAOYSA-N -1 3 258.302 3.479 20 0 CGADHM Cc1cncc(/C=C\C(=O)Nc2ccc(Cl)cc2[O-])c1 ZINC000492246412 243910568 /nfs/dbraw/zinc/91/05/68/243910568.db2.gz FAASLQHHMOHLDB-DJWKRKHSSA-N -1 3 288.734 3.401 20 0 CGADHM CC(C)CCC[C@@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000037975660 369128003 /nfs/dbraw/zinc/12/80/03/369128003.db2.gz XAZWTQLCHOGIOV-GFCCVEGCSA-N -1 3 287.400 3.319 20 0 CGADHM C[C@@H](C1CCCCC1)N(C)C(=O)/C=C/c1cncc([O-])c1 ZINC000492854689 244038837 /nfs/dbraw/zinc/03/88/37/244038837.db2.gz FESFTOJHMCHZGW-XEHSLEBBSA-N -1 3 288.391 3.228 20 0 CGADHM Cc1ccc([C@@H](C)[C@H](O)C(=O)Nc2ccc(C)cc2[O-])cc1 ZINC000492886864 244044847 /nfs/dbraw/zinc/04/48/47/244044847.db2.gz MVJYUQXERWCGQW-DYVFJYSZSA-N -1 3 299.370 3.112 20 0 CGADHM O=C(/C=C/c1ccc(F)c(F)c1)Nc1cccc([O-])c1F ZINC000493168174 244110659 /nfs/dbraw/zinc/11/06/59/244110659.db2.gz BQAKGWRMQKRERX-FNORWQNLSA-N -1 3 293.244 3.461 20 0 CGADHM COc1ccc(C(=O)N(C)C2CCC(C)CC2)c([O-])c1 ZINC000042315504 369213863 /nfs/dbraw/zinc/21/38/63/369213863.db2.gz TVXGFATYUVNKPP-UHFFFAOYSA-N -1 3 277.364 3.052 20 0 CGADHM COc1cccc(C(=O)N(C)[C@H](C)c2cccs2)c1[O-] ZINC000042315204 369213870 /nfs/dbraw/zinc/21/38/70/369213870.db2.gz KIJCNLKKNNRZTE-SNVBAGLBSA-N -1 3 291.372 3.296 20 0 CGADHM Cc1cc(CN(C)[C@H](C)C(C)(C)C)oc1C(=O)[O-] ZINC000042771146 369230908 /nfs/dbraw/zinc/23/09/08/369230908.db2.gz MGBOYAVDKHFUPI-SNVBAGLBSA-N -1 3 253.342 3.153 20 0 CGADHM Cc1ncc(/C=C/C(=O)Nc2c([O-])cccc2Cl)s1 ZINC000493535176 244182524 /nfs/dbraw/zinc/18/25/24/244182524.db2.gz ZNHQDPNLSKMZPH-AATRIKPKSA-N -1 3 294.763 3.462 20 0 CGADHM O=C(Nc1ccccc1[O-])[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000494808870 244320163 /nfs/dbraw/zinc/32/01/63/244320163.db2.gz FMIJPUIRCJGFIZ-KGLIPLIRSA-N -1 3 289.281 3.380 20 0 CGADHM Cc1ccc(NC(=O)c2ccccc2-n2cccn2)c([O-])c1 ZINC000047296841 369311570 /nfs/dbraw/zinc/31/15/70/369311570.db2.gz KBOFNGTZLGEZCW-UHFFFAOYSA-N -1 3 293.326 3.139 20 0 CGADHM Cc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)c([O-])c1C ZINC000048383781 369344744 /nfs/dbraw/zinc/34/47/44/369344744.db2.gz LXWATXWYWFVEOY-QWRGUYRKSA-N -1 3 261.365 3.127 20 0 CGADHM Cc1cccc(C(=O)NCCCc2cccs2)c1[O-] ZINC000537713286 376197636 /nfs/dbraw/zinc/19/76/36/376197636.db2.gz HJZYZQIMGKEYCM-UHFFFAOYSA-N -1 3 275.373 3.125 20 0 CGADHM O=C(Nc1cc(F)c(F)c(F)c1)c1cccc([O-])c1 ZINC000061120401 369597049 /nfs/dbraw/zinc/59/70/49/369597049.db2.gz DRQOPUJWEGPCLJ-UHFFFAOYSA-N -1 3 267.206 3.062 20 0 CGADHM C[C@@H](c1ccccc1F)N(C)CCCCC(=O)[O-] ZINC000062015327 369613446 /nfs/dbraw/zinc/61/34/46/369613446.db2.gz DZUOKMZZTKGITR-NSHDSACASA-N -1 3 253.317 3.073 20 0 CGADHM Cc1ccccc1CC(=O)N1CCCc2cccc([O-])c21 ZINC000063063809 369638366 /nfs/dbraw/zinc/63/83/66/369638366.db2.gz JGHCJBUIJMYTOK-UHFFFAOYSA-N -1 3 281.355 3.223 20 0 CGADHM CCCc1ccc(C(=O)Nc2nnc(-c3ccco3)[n-]2)cc1 ZINC000063092529 369638595 /nfs/dbraw/zinc/63/85/95/369638595.db2.gz ZBFVSVWAWIAJRB-UHFFFAOYSA-N -1 3 296.330 3.270 20 0 CGADHM CCCc1ccc(C(=O)Nc2nc(-c3ccco3)n[n-]2)cc1 ZINC000063092529 369638600 /nfs/dbraw/zinc/63/86/00/369638600.db2.gz ZBFVSVWAWIAJRB-UHFFFAOYSA-N -1 3 296.330 3.270 20 0 CGADHM CCCc1ccc(C(=O)Nc2n[n-]c(-c3ccco3)n2)cc1 ZINC000063092529 369638605 /nfs/dbraw/zinc/63/86/05/369638605.db2.gz ZBFVSVWAWIAJRB-UHFFFAOYSA-N -1 3 296.330 3.270 20 0 CGADHM Cc1ccc(C(=O)N(C)CCc2ccc(F)cc2)c([O-])c1 ZINC000065666966 369685328 /nfs/dbraw/zinc/68/53/28/369685328.db2.gz GKZOSFMJUHLZHC-UHFFFAOYSA-N -1 3 287.334 3.154 20 0 CGADHM Cc1ccc([O-])c(CN(CC(C)C)CC(F)(F)F)n1 ZINC000092030518 370089873 /nfs/dbraw/zinc/08/98/73/370089873.db2.gz JNFQTCNRJISBAI-UHFFFAOYSA-N -1 3 276.302 3.116 20 0 CGADHM COc1cc(C)ccc1NC(=O)c1ccc(C)cc1[O-] ZINC000097207990 370234150 /nfs/dbraw/zinc/23/41/50/370234150.db2.gz WFXCZQHGJMMWOD-UHFFFAOYSA-N -1 3 271.316 3.270 20 0 CGADHM CC[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000512032420 245017258 /nfs/dbraw/zinc/01/72/58/245017258.db2.gz UPPZYMYXLVBCLL-BDAKNGLRSA-N -1 3 293.791 3.192 20 0 CGADHM Cc1cc(F)ccc1CCNCc1c(F)ccc([O-])c1F ZINC000511682239 245002296 /nfs/dbraw/zinc/00/22/96/245002296.db2.gz OENWJRSJFASPBY-UHFFFAOYSA-N -1 3 295.304 3.450 20 0 CGADHM CCN(C(=O)c1ccc2n[n-]nc2c1)c1cccc(C)c1C ZINC000512563744 245042102 /nfs/dbraw/zinc/04/21/02/245042102.db2.gz FVKKKAMRLNLSSA-UHFFFAOYSA-N -1 3 294.358 3.241 20 0 CGADHM CSCCC(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000116978970 370576288 /nfs/dbraw/zinc/57/62/88/370576288.db2.gz VTJPTKBAWIWQPH-UHFFFAOYSA-N -1 3 259.758 3.046 20 0 CGADHM O=C(Cc1cnc2ccccc2c1)Nc1ccccc1[O-] ZINC000118761050 370624976 /nfs/dbraw/zinc/62/49/76/370624976.db2.gz PEGPXQPDUXUEJK-UHFFFAOYSA-N -1 3 278.311 3.122 20 0 CGADHM O=C([O-])[C@@H]1CCCCN1Cc1cccc(C(F)F)c1 ZINC000132279210 371163757 /nfs/dbraw/zinc/16/37/57/371163757.db2.gz JWXNAUPLFNENOJ-LBPRGKRZSA-N -1 3 269.291 3.063 20 0 CGADHM O=C(NCc1ccc([O-])c(F)c1)c1coc2ccccc12 ZINC000132876123 371208824 /nfs/dbraw/zinc/20/88/24/371208824.db2.gz SNNMVAYDULTYFA-UHFFFAOYSA-N -1 3 285.274 3.208 20 0 CGADHM CC[C@]1(C)CCN(C(=O)c2c[n-]c3c(C)cccc3c2=O)C1 ZINC000331975251 204351948 /nfs/dbraw/zinc/35/19/48/204351948.db2.gz LNSHAGGCRQPMDO-GOSISDBHSA-N -1 3 298.386 3.099 20 0 CGADHM CCC[C@H](C(=O)Nc1nnc(-c2ccco2)[n-]1)C(C)C ZINC000134537564 371347744 /nfs/dbraw/zinc/34/77/44/371347744.db2.gz MUYBBEHAPIDESY-JTQLQIEISA-N -1 3 276.340 3.076 20 0 CGADHM CCC[C@H](C(=O)Nc1nc(-c2ccco2)n[n-]1)C(C)C ZINC000134537564 371347750 /nfs/dbraw/zinc/34/77/50/371347750.db2.gz MUYBBEHAPIDESY-JTQLQIEISA-N -1 3 276.340 3.076 20 0 CGADHM CCC[C@H](C(=O)Nc1n[n-]c(-c2ccco2)n1)C(C)C ZINC000134537564 371347756 /nfs/dbraw/zinc/34/77/56/371347756.db2.gz MUYBBEHAPIDESY-JTQLQIEISA-N -1 3 276.340 3.076 20 0 CGADHM CCCCN(CC)C(=O)Cc1ccc([O-])cc1Cl ZINC000136091928 371460159 /nfs/dbraw/zinc/46/01/59/371460159.db2.gz FQTRHKGDHPDRSU-UHFFFAOYSA-N -1 3 269.772 3.237 20 0 CGADHM C[C@@H](Cc1ccccc1Cl)C(=O)[N-]O[C@H]1CCCCO1 ZINC000151755551 371633235 /nfs/dbraw/zinc/63/32/35/371633235.db2.gz HJYHYSKVHROKKL-FZMZJTMJSA-N -1 3 297.782 3.093 20 0 CGADHM Cc1nc2cc(NC(=O)c3cc(C)ccc3[O-])ccc2o1 ZINC000029796031 541858212 /nfs/dbraw/zinc/85/82/12/541858212.db2.gz KMKOUVZYFHVZKO-UHFFFAOYSA-N -1 3 282.299 3.403 20 0 CGADHM C[C@H]1CCC[C@@H]1CNCc1c(F)ccc([O-])c1F ZINC000353331095 220031018 /nfs/dbraw/zinc/03/10/18/220031018.db2.gz MWGQGQCNMSJBHT-VHSXEESVSA-N -1 3 255.308 3.196 20 0 CGADHM Cc1ccsc1CN[C@H](CC(=O)[O-])c1cccs1 ZINC000037087941 541861176 /nfs/dbraw/zinc/86/11/76/541861176.db2.gz SQKREMDKPZZTKV-SNVBAGLBSA-N -1 3 281.402 3.424 20 0 CGADHM CN(Cc1c(C(=O)[O-])sc2cccc(F)c21)C1CC1 ZINC000037081338 541861286 /nfs/dbraw/zinc/86/12/86/541861286.db2.gz JXXPCSVFRJZWEY-UHFFFAOYSA-N -1 3 279.336 3.333 20 0 CGADHM C[C@H]1CCC[C@H](CNC(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000157575046 372027723 /nfs/dbraw/zinc/02/77/23/372027723.db2.gz JZTFOHCPEGGVMQ-RYUDHWBXSA-N -1 3 294.370 3.157 20 0 CGADHM CCOc1cc(Cl)ccc1NC([O-])=NOCC1CC1 ZINC000292756875 372202185 /nfs/dbraw/zinc/20/21/85/372202185.db2.gz OGLUXZPIRONPQB-UHFFFAOYSA-N -1 3 284.743 3.202 20 0 CGADHM CCOc1cc(Cl)ccc1NC(=O)[N-]OCC1CC1 ZINC000292756875 372202193 /nfs/dbraw/zinc/20/21/93/372202193.db2.gz OGLUXZPIRONPQB-UHFFFAOYSA-N -1 3 284.743 3.202 20 0 CGADHM Cc1ncc(CNCc2ccc(Cl)cc2Cl)c(=O)[n-]1 ZINC000344321876 217150048 /nfs/dbraw/zinc/15/00/48/217150048.db2.gz DXZWORPJVFFRAC-UHFFFAOYSA-N -1 3 298.173 3.087 20 0 CGADHM [O-]c1cccc(CN[C@@H]2[C@H]3CCO[C@H]3C23CCC3)c1Cl ZINC000293353917 372361817 /nfs/dbraw/zinc/36/18/17/372361817.db2.gz UBEFYXQZCCDWMC-KCPJHIHWSA-N -1 3 293.794 3.093 20 0 CGADHM Cc1nccn1CCCCNCc1cccc([O-])c1Cl ZINC000293483912 372393781 /nfs/dbraw/zinc/39/37/81/372393781.db2.gz GBRUVCUXESDHTK-UHFFFAOYSA-N -1 3 293.798 3.121 20 0 CGADHM C[C@H]1CCN(Cc2ccc(Cl)cc2F)[C@H](C(=O)[O-])C1 ZINC000162576293 372404136 /nfs/dbraw/zinc/40/41/36/372404136.db2.gz CQCDGVYPUNKKDZ-ZANVPECISA-N -1 3 285.746 3.164 20 0 CGADHM CCO[C@H]1C[C@@H]1c1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000293368908 372367224 /nfs/dbraw/zinc/36/72/24/372367224.db2.gz HKHHIMUDACJLBN-ZFWWWQNUSA-N -1 3 296.326 3.488 20 0 CGADHM Cc1cccc(C(=O)N2CC(C)(C)[C@H]2c2ccncc2)c1[O-] ZINC000293950176 372534061 /nfs/dbraw/zinc/53/40/61/372534061.db2.gz PBWTXJZYMMWCLC-MRXNPFEDSA-N -1 3 296.370 3.319 20 0 CGADHM CCOC1(C)CCN(Cc2cccc([O-])c2Cl)CC1 ZINC000293995217 372549399 /nfs/dbraw/zinc/54/93/99/372549399.db2.gz SKRNASVEZNPBHJ-UHFFFAOYSA-N -1 3 283.799 3.437 20 0 CGADHM CC[C@H](C)NC(=O)CCc1ccc2ccccc2c1[O-] ZINC000294310721 372645985 /nfs/dbraw/zinc/64/59/85/372645985.db2.gz YFRGVNGXHDJFNP-LBPRGKRZSA-N -1 3 271.360 3.393 20 0 CGADHM CN(Cc1cccc([O-])c1Cl)C[C@@H]1CCCCO1 ZINC000295243761 372716149 /nfs/dbraw/zinc/71/61/49/372716149.db2.gz FGHGKORNWPCEQN-LBPRGKRZSA-N -1 3 269.772 3.047 20 0 CGADHM CCCc1cc(=O)[n-]c(C(=Cc2cocn2)CC)n1 ZINC000435340492 372751595 /nfs/dbraw/zinc/75/15/95/372751595.db2.gz IRHTVCLXXGHALR-UXBLZVDNSA-N -1 3 259.309 3.073 20 0 CGADHM CSCC[C@H](C)N(C)Cc1c(F)ccc([O-])c1F ZINC000295396164 372762831 /nfs/dbraw/zinc/76/28/31/372762831.db2.gz QHCAEYYQMMVYRZ-VIFPVBQESA-N -1 3 275.364 3.244 20 0 CGADHM Cc1cccc(C(=O)N2Cc3ccccc3OC[C@H]2C)c1[O-] ZINC000436733338 372841184 /nfs/dbraw/zinc/84/11/84/372841184.db2.gz HBWROMCMQCCTMF-CYBMUJFWSA-N -1 3 297.354 3.124 20 0 CGADHM Cc1ccc(-c2nc([C@@H]3CCOC[C@H]3C)no2)c([O-])c1C ZINC000442686872 373064198 /nfs/dbraw/zinc/06/41/98/373064198.db2.gz LXTAASSZVLSYOO-ZYHUDNBSSA-N -1 3 288.347 3.199 20 0 CGADHM COc1cc(C(=O)N[C@@H]2CCC[C@H](C(C)C)C2)ccc1[O-] ZINC000442958006 373132723 /nfs/dbraw/zinc/13/27/23/373132723.db2.gz PSKCARVFFPFTGN-GXTWGEPZSA-N -1 3 291.391 3.345 20 0 CGADHM Cc1cc(Br)ccc1NC([O-])=NOC(C)C ZINC000296601726 373191153 /nfs/dbraw/zinc/19/11/53/373191153.db2.gz OMODCUFZUYTOAC-UHFFFAOYSA-N -1 3 287.157 3.219 20 0 CGADHM Cc1cc(Br)ccc1NC(=O)[N-]OC(C)C ZINC000296601726 373191158 /nfs/dbraw/zinc/19/11/58/373191158.db2.gz OMODCUFZUYTOAC-UHFFFAOYSA-N -1 3 287.157 3.219 20 0 CGADHM CCOC(C)(C)CNC(=O)c1ccc(C(C)C)cc1[O-] ZINC000444515239 373196403 /nfs/dbraw/zinc/19/64/03/373196403.db2.gz LHXOMFOOWDSVMN-UHFFFAOYSA-N -1 3 279.380 3.061 20 0 CGADHM CC(C)ON=C([O-])Nc1ccc(OC(C)C)cc1F ZINC000296624555 373199371 /nfs/dbraw/zinc/19/93/71/373199371.db2.gz ZMNWCQWMMXTJGX-UHFFFAOYSA-N -1 3 270.304 3.074 20 0 CGADHM CC(C)O[N-]C(=O)Nc1ccc(OC(C)C)cc1F ZINC000296624555 373199380 /nfs/dbraw/zinc/19/93/80/373199380.db2.gz ZMNWCQWMMXTJGX-UHFFFAOYSA-N -1 3 270.304 3.074 20 0 CGADHM CC[C@@H](C)[C@H](NC(=O)c1ccc([O-])c(C)c1)C(F)(F)F ZINC000444563359 373200891 /nfs/dbraw/zinc/20/08/91/373200891.db2.gz ZGIHIBJZMBXHNR-PELKAZGASA-N -1 3 289.297 3.407 20 0 CGADHM CCN(CCc1cccs1)C(=O)c1cc(C)ccc1[O-] ZINC000298386516 373312189 /nfs/dbraw/zinc/31/21/89/373312189.db2.gz SIDYSBQDIDOVSU-UHFFFAOYSA-N -1 3 289.400 3.467 20 0 CGADHM CC(=O)c1ccsc1[N-]C(=O)c1noc2c1CCCC2 ZINC000297948153 373285688 /nfs/dbraw/zinc/28/56/88/373285688.db2.gz UEQRNRQSZDVSRT-UHFFFAOYSA-N -1 3 290.344 3.070 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CCC3(CCCC3)C2)c1 ZINC000174852995 373372633 /nfs/dbraw/zinc/37/26/33/373372633.db2.gz JDWQJUHMMIFKQK-UHFFFAOYSA-N -1 3 259.349 3.107 20 0 CGADHM Cc1cccc([C@@H]2CCN([C@@H](C)c3nc(C)cc(=O)[n-]3)C2)c1 ZINC000447887978 373517241 /nfs/dbraw/zinc/51/72/41/373517241.db2.gz HZBTVVLGDDFRQY-GOEBONIOSA-N -1 3 297.402 3.350 20 0 CGADHM Cc1ccc([O-])c(C(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2)c1 ZINC000447764509 373485905 /nfs/dbraw/zinc/48/59/05/373485905.db2.gz ARNKPWUHFHFQNM-DZGCQCFKSA-N -1 3 285.318 3.126 20 0 CGADHM [O-]c1ccc(Br)c(CN2CCC23CCC3)c1 ZINC000353663177 220238389 /nfs/dbraw/zinc/23/83/89/220238389.db2.gz CEFVLLBJBYRQGQ-UHFFFAOYSA-N -1 3 282.181 3.283 20 0 CGADHM [O-]c1ccc(F)c(CNC[C@@H]2CCCC2(F)F)c1F ZINC000449490848 373781295 /nfs/dbraw/zinc/78/12/95/373781295.db2.gz DFCQADOZAZIRQP-QMMMGPOBSA-N -1 3 277.261 3.195 20 0 CGADHM Cc1ccc([O-])c(CN2Cc3ccccc3C[C@H]2C)n1 ZINC000353668280 220240517 /nfs/dbraw/zinc/24/05/17/220240517.db2.gz XSNAARMLFMKTED-CYBMUJFWSA-N -1 3 268.360 3.042 20 0 CGADHM CC[C@@H](NCc1cnc(C)[n-]c1=O)c1cccc(C)c1 ZINC000353666941 220240727 /nfs/dbraw/zinc/24/07/27/220240727.db2.gz ATZCAAFJFGGIFX-OAHLLOKOSA-N -1 3 271.364 3.040 20 0 CGADHM C[C@H](CC1CCCCC1)C(=O)Nc1ncccc1[O-] ZINC000303507588 374020844 /nfs/dbraw/zinc/02/08/44/374020844.db2.gz ATFHBATYZBXZDT-LLVKDONJSA-N -1 3 262.353 3.332 20 0 CGADHM O=C(CSC1CCCCC1)Nc1ccccc1[O-] ZINC000180671242 374032763 /nfs/dbraw/zinc/03/27/63/374032763.db2.gz CDEOYZYPXIAQAR-UHFFFAOYSA-N -1 3 265.378 3.397 20 0 CGADHM Cc1ccc([C@H]2CSCCN2CCCCC(=O)[O-])cc1 ZINC000181564149 374141207 /nfs/dbraw/zinc/14/12/07/374141207.db2.gz BBOZTMFPTOLQQI-OAHLLOKOSA-N -1 3 293.432 3.340 20 0 CGADHM COc1ccc(C(=O)N2CC[C@H](CC(C)(C)C)C2)c([O-])c1 ZINC000307779871 374152714 /nfs/dbraw/zinc/15/27/14/374152714.db2.gz SEDRHTNADWFPDM-GFCCVEGCSA-N -1 3 291.391 3.299 20 0 CGADHM Cc1nc(C(=O)[N-]c2c(F)cccc2F)sc1C ZINC000074721349 541906244 /nfs/dbraw/zinc/90/62/44/541906244.db2.gz WVRXMTIHMXIVPG-UHFFFAOYSA-N -1 3 268.288 3.290 20 0 CGADHM O=C([O-])[C@H]1C=C[C@H](NCc2ccc(Cl)cc2Cl)C1 ZINC000310859154 374227383 /nfs/dbraw/zinc/22/73/83/374227383.db2.gz NOYDYKFMZYQMBZ-KWQFWETISA-N -1 3 286.158 3.112 20 0 CGADHM CCN(Cc1ccc(OC)cc1)C(=O)c1cccc([O-])c1 ZINC000181878504 374185372 /nfs/dbraw/zinc/18/53/72/374185372.db2.gz KGRBSJPKUGPWFN-UHFFFAOYSA-N -1 3 285.343 3.063 20 0 CGADHM COc1ccccc1CCC[S@](=O)c1ccc([O-])cc1 ZINC000182470290 374276843 /nfs/dbraw/zinc/27/68/43/374276843.db2.gz RNQYNTYYYJEIMT-FQEVSTJZSA-N -1 3 290.384 3.141 20 0 CGADHM Cc1ccc(C(=O)NCCCC(C)(F)F)c([O-])c1C ZINC000452206285 374278136 /nfs/dbraw/zinc/27/81/36/374278136.db2.gz OTSWWGNFGONDIF-UHFFFAOYSA-N -1 3 271.307 3.174 20 0 CGADHM Cc1ccc(C(=O)N2C[C@H](C)C[C@H]2c2cccnc2)c([O-])c1 ZINC000182770696 374324167 /nfs/dbraw/zinc/32/41/67/374324167.db2.gz DKCPRLGEGAXBBQ-CJNGLKHVSA-N -1 3 296.370 3.319 20 0 CGADHM CCC1(CC)[C@H](OC)C[C@H]1N(C)C(=O)c1cccc([O-])c1 ZINC000182825074 374332700 /nfs/dbraw/zinc/33/27/00/374332700.db2.gz BGRANKZATNSQMT-HUUCEWRRSA-N -1 3 291.391 3.058 20 0 CGADHM COCc1ccsc1C(=O)Nc1c(C)cccc1[O-] ZINC000183014709 374356053 /nfs/dbraw/zinc/35/60/53/374356053.db2.gz NRJHCXCXUINLFG-UHFFFAOYSA-N -1 3 277.345 3.161 20 0 CGADHM [O-]c1cccc(CNCc2ccccc2F)c1Cl ZINC000328503510 374365325 /nfs/dbraw/zinc/36/53/25/374365325.db2.gz YOIPPXAGWGBGQC-UHFFFAOYSA-N -1 3 265.715 3.475 20 0 CGADHM Cc1cccc([O-])c1NC(=O)c1cccc2[nH]ccc21 ZINC000183058896 374366282 /nfs/dbraw/zinc/36/62/82/374366282.db2.gz UKILTTTYQOVVIK-UHFFFAOYSA-N -1 3 266.300 3.434 20 0 CGADHM C[C@@H](Cc1cccc(F)c1)C(=O)Nc1ccc([O-])cc1F ZINC000183259720 374393554 /nfs/dbraw/zinc/39/35/54/374393554.db2.gz GWGMTINSEOYPEF-JTQLQIEISA-N -1 3 291.297 3.488 20 0 CGADHM C[C@H](Sc1ccccn1)C(=O)Nc1ccc([O-])cc1F ZINC000183285588 374398222 /nfs/dbraw/zinc/39/82/22/374398222.db2.gz WKTACDJFMGLZFP-VIFPVBQESA-N -1 3 292.335 3.046 20 0 CGADHM Cc1cc(C)c(NC(=O)c2cccc3nn[n-]c32)c(C)c1 ZINC000183453700 374416770 /nfs/dbraw/zinc/41/67/70/374416770.db2.gz GLEQYJJWPNJQSG-UHFFFAOYSA-N -1 3 280.331 3.135 20 0 CGADHM Cc1cc(C)c(NC(=O)c2cccc3[n-]nnc32)c(C)c1 ZINC000183453700 374416775 /nfs/dbraw/zinc/41/67/75/374416775.db2.gz GLEQYJJWPNJQSG-UHFFFAOYSA-N -1 3 280.331 3.135 20 0 CGADHM Cc1cc(C)c(NC(=O)c2cccc3n[n-]nc32)c(C)c1 ZINC000183453700 374416777 /nfs/dbraw/zinc/41/67/77/374416777.db2.gz GLEQYJJWPNJQSG-UHFFFAOYSA-N -1 3 280.331 3.135 20 0 CGADHM C[C@H](c1cc(F)ccc1F)N1CCC(C)(C(=O)[O-])CC1 ZINC000086776383 541940787 /nfs/dbraw/zinc/94/07/87/541940787.db2.gz QCGZRQQSWQFGDO-SNVBAGLBSA-N -1 3 283.318 3.213 20 0 CGADHM Cc1cc(F)ccc1CN1CCC[C@H](CCC(=O)[O-])C1 ZINC000086809878 541940804 /nfs/dbraw/zinc/94/08/04/541940804.db2.gz XWOLUGXZJRJNJP-CYBMUJFWSA-N -1 3 279.355 3.211 20 0 CGADHM O=[S@](Cc1nc2ccccc2s1)c1cccc([O-])c1 ZINC000184028273 374483614 /nfs/dbraw/zinc/48/36/14/374483614.db2.gz POMNEDIGOFFTNF-LJQANCHMSA-N -1 3 289.381 3.310 20 0 CGADHM CC(C)c1nc(C[S@](=O)c2cccc([O-])c2)cs1 ZINC000184063869 374487494 /nfs/dbraw/zinc/48/74/94/374487494.db2.gz USSXXUPFLFLTAN-SFHVURJKSA-N -1 3 281.402 3.280 20 0 CGADHM [O-]c1cc(F)cc(CNc2cc(F)ccc2F)c1 ZINC000184131397 374495048 /nfs/dbraw/zinc/49/50/48/374495048.db2.gz KLYZQDAGRHAIIW-UHFFFAOYSA-N -1 3 253.223 3.422 20 0 CGADHM CC[C@H](OC1CCCC1)C(=O)Nc1ccc(C)cc1[O-] ZINC000330484621 374472760 /nfs/dbraw/zinc/47/27/60/374472760.db2.gz YUWKUDFTJLCSDR-HNNXBMFYSA-N -1 3 277.364 3.377 20 0 CGADHM CC(C)[C@@H]1OCC[C@@H]1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000331212968 374514981 /nfs/dbraw/zinc/51/49/81/374514981.db2.gz KSQFTNJRVAJFME-GWCFXTLKSA-N -1 3 283.755 3.045 20 0 CGADHM CC[C@@H](NCc1cc([O-])cc(F)c1)c1nccs1 ZINC000184142999 374496867 /nfs/dbraw/zinc/49/68/67/374496867.db2.gz GENOQPFWCIECEK-GFCCVEGCSA-N -1 3 266.341 3.229 20 0 CGADHM [O-]c1c(-c2nc(-c3ccccn3)no2)ccc2c1CCCC2 ZINC000184838626 374564292 /nfs/dbraw/zinc/56/42/92/374564292.db2.gz CKRJYCSUHPYEKY-UHFFFAOYSA-N -1 3 293.326 3.383 20 0 CGADHM CCC[C@H](C)N(C)C(=O)c1c[n-]c2c(C)cccc2c1=O ZINC000332699626 374588501 /nfs/dbraw/zinc/58/85/01/374588501.db2.gz IXCZWNALRLVHIS-LBPRGKRZSA-N -1 3 286.375 3.097 20 0 CGADHM O=C(Nc1ccccc1[O-])[C@@H]1CCc2ccccc21 ZINC000334354458 374680220 /nfs/dbraw/zinc/68/02/20/374680220.db2.gz ZLGNMKGLZOHDOU-CYBMUJFWSA-N -1 3 253.301 3.061 20 0 CGADHM C[C@@H](NC(=O)c1cc([O-])ccc1Cl)c1cncc(F)c1 ZINC000334358009 374681369 /nfs/dbraw/zinc/68/13/69/374681369.db2.gz RMRXNUQZQDHDIG-MRVPVSSYSA-N -1 3 294.713 3.071 20 0 CGADHM COCc1cc(CNCc2cc([O-])cc(F)c2)ccc1F ZINC000185525590 374682165 /nfs/dbraw/zinc/68/21/65/374682165.db2.gz CXJNNEOBJNAKRY-UHFFFAOYSA-N -1 3 293.313 3.107 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)C2CC(C)(C)C2)c1-c1ccccc1 ZINC000334401985 374718241 /nfs/dbraw/zinc/71/82/41/374718241.db2.gz GZSGIFSISQKLBG-UHFFFAOYSA-N -1 3 283.375 3.182 20 0 CGADHM COc1cc(-c2nc(C3CCCC3)no2)cc(OC)c1[O-] ZINC000186103029 374798443 /nfs/dbraw/zinc/79/84/43/374798443.db2.gz NTADQDZGYIBPNA-UHFFFAOYSA-N -1 3 290.319 3.117 20 0 CGADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@@H]1CCSC1 ZINC000334508979 374806223 /nfs/dbraw/zinc/80/62/23/374806223.db2.gz QPTHGBYVECUZHJ-SSDOTTSWSA-N -1 3 291.294 3.103 20 0 CGADHM C[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc([O-])cc1F ZINC000335106685 375136266 /nfs/dbraw/zinc/13/62/66/375136266.db2.gz GNZXWFQKCHGFHI-KOLCDFICSA-N -1 3 251.301 3.296 20 0 CGADHM CCc1ccc(C(=O)N(C)Cc2ccccc2F)c([O-])c1 ZINC000188543093 375228432 /nfs/dbraw/zinc/22/84/32/375228432.db2.gz BLVBNRJBTQTPMM-UHFFFAOYSA-N -1 3 287.334 3.366 20 0 CGADHM CCc1ccc(C(=O)N(C)[C@@H](C)c2ccco2)c([O-])c1 ZINC000189363588 375375539 /nfs/dbraw/zinc/37/55/39/375375539.db2.gz WQKHWDPXFHAYDV-NSHDSACASA-N -1 3 273.332 3.381 20 0 CGADHM C[C@@H](C(=O)Nc1ccc([O-])cc1F)c1ccsc1 ZINC000335976913 375586316 /nfs/dbraw/zinc/58/63/16/375586316.db2.gz URKJPOBVKAIBDQ-MRVPVSSYSA-N -1 3 265.309 3.335 20 0 CGADHM Cc1oc(C(C)C)nc1C(=O)Nc1cccc([O-])c1F ZINC000335943398 375557205 /nfs/dbraw/zinc/55/72/05/375557205.db2.gz REOZMEVATJCXBB-UHFFFAOYSA-N -1 3 278.283 3.203 20 0 CGADHM Cc1nn(C)cc1/C=C/c1ccc2cc(C)cc([O-])c2n1 ZINC000191377494 375620738 /nfs/dbraw/zinc/62/07/38/375620738.db2.gz GBWMHXORCYSHGC-FNORWQNLSA-N -1 3 279.343 3.461 20 0 CGADHM CC(C)CN(Cc1c(F)ccc([O-])c1F)C1CC1 ZINC000507353940 375696338 /nfs/dbraw/zinc/69/63/38/375696338.db2.gz CCQBLIYNXYDJNX-UHFFFAOYSA-N -1 3 255.308 3.291 20 0 CGADHM Cc1nc(NC(=O)c2cc([O-])ccc2Cl)cs1 ZINC000336137083 375717214 /nfs/dbraw/zinc/71/72/14/375717214.db2.gz QWAULFODCVIJMK-UHFFFAOYSA-N -1 3 268.725 3.063 20 0 CGADHM Cc1cc(C(=O)N2CC[C@@H](Nc3ccccc3)C2)ccc1[O-] ZINC000334267419 206282584 /nfs/dbraw/zinc/28/25/84/206282584.db2.gz OROVKVGYOGCBGX-MRXNPFEDSA-N -1 3 296.370 3.027 20 0 CGADHM O=C(c1ccc(O)cc1[O-])N1CCC[C@@H]1c1cccs1 ZINC000192917834 375800723 /nfs/dbraw/zinc/80/07/23/375800723.db2.gz ZXFKNJMYBFSUOW-GFCCVEGCSA-N -1 3 289.356 3.137 20 0 CGADHM Cc1cccc(C(=O)N2CCC[C@@H]2c2cccn2C)c1[O-] ZINC000192916543 375801794 /nfs/dbraw/zinc/80/17/94/375801794.db2.gz NNVPSNKGSQWSDH-OAHLLOKOSA-N -1 3 284.359 3.016 20 0 CGADHM C[C@@H]1CCN([C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)C1 ZINC000516479553 375821144 /nfs/dbraw/zinc/82/11/44/375821144.db2.gz OHPRLVUUGXFQBV-PELKAZGASA-N -1 3 288.174 3.461 20 0 CGADHM C[C@H]1CC(C)(C)CN1Cc1csc(C(=O)[O-])c1 ZINC000515660280 375814352 /nfs/dbraw/zinc/81/43/52/375814352.db2.gz UTOWHFMJEAJJBM-VIFPVBQESA-N -1 3 253.367 3.067 20 0 CGADHM O=C(CC(F)(F)F)[N-]C1(C(F)(F)F)CCCCC1 ZINC000511313761 375789960 /nfs/dbraw/zinc/78/99/60/375789960.db2.gz LHGIYZVHWVVKGB-UHFFFAOYSA-N -1 3 277.208 3.320 20 0 CGADHM CC1(C)[C@@H]2CN(Cc3c(Cl)cccc3C(=O)[O-])C[C@@H]21 ZINC000518990627 375831628 /nfs/dbraw/zinc/83/16/28/375831628.db2.gz LPNPFSCKOHJUEX-TXEJJXNPSA-N -1 3 279.767 3.126 20 0 CGADHM O=C([O-])c1csc(CN2CCC[C@H]2C2CCCCC2)n1 ZINC000519412792 375837003 /nfs/dbraw/zinc/83/70/03/375837003.db2.gz MXHOKRKNJNOIDI-ZDUSSCGKSA-N -1 3 294.420 3.386 20 0 CGADHM Cc1cc(NC(=O)c2cc([O-])ccc2C(F)(F)F)ccn1 ZINC000193240836 375846596 /nfs/dbraw/zinc/84/65/96/375846596.db2.gz STDWKHTZFNVKNJ-UHFFFAOYSA-N -1 3 296.248 3.367 20 0 CGADHM COC(=O)c1cnc(S[C@H](C)CCc2ccccc2)[n-]1 ZINC000193545334 375893055 /nfs/dbraw/zinc/89/30/55/375893055.db2.gz MFMUJCRHICYCIC-LLVKDONJSA-N -1 3 290.388 3.310 20 0 CGADHM CCSCCCN=c1[n-]c(C(F)(F)F)cs1 ZINC000336781722 375934984 /nfs/dbraw/zinc/93/49/84/375934984.db2.gz VKJIVAWAOWASMA-UHFFFAOYSA-N -1 3 270.345 3.139 20 0 CGADHM CCc1cccc(C(=O)N2[C@H](CC)CC[C@@H]2C)c1[O-] ZINC000536817152 376132293 /nfs/dbraw/zinc/13/22/93/376132293.db2.gz XSMUWDUBISBEFV-WCQYABFASA-N -1 3 261.365 3.358 20 0 CGADHM Cc1ccc(C(=O)N[C@@H](c2cccnc2)C2CC2)c([O-])c1C ZINC000538764152 376269545 /nfs/dbraw/zinc/26/95/45/376269545.db2.gz QBFSDEFOTFCDDY-MRXNPFEDSA-N -1 3 296.370 3.285 20 0 CGADHM CCOC(=O)c1ccc(NC(=O)CCC(C)(C)C)c([O-])c1 ZINC000540029723 376351760 /nfs/dbraw/zinc/35/17/60/376351760.db2.gz XTVVHMVMBFXULL-UHFFFAOYSA-N -1 3 293.363 3.334 20 0 CGADHM CCC(CC)(CNC(=O)c1cccc([O-])c1)SC ZINC000227616521 376403256 /nfs/dbraw/zinc/40/32/56/376403256.db2.gz OEPNUNLSGNDWFH-UHFFFAOYSA-N -1 3 267.394 3.044 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2cc(C3CCCC3)nn2C)c1 ZINC000541022744 376413891 /nfs/dbraw/zinc/41/38/91/376413891.db2.gz DWQLHVKOWGZXAG-UHFFFAOYSA-N -1 3 299.374 3.344 20 0 CGADHM CCC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(C)o1 ZINC000540218996 376367330 /nfs/dbraw/zinc/36/73/30/376367330.db2.gz YVCFSDJFYCWZID-CHWSQXEVSA-N -1 3 285.409 3.225 20 0 CGADHM CCOc1ccc(NC(=O)c2ccc([O-])c(C)c2)cc1 ZINC000226713692 376369534 /nfs/dbraw/zinc/36/95/34/376369534.db2.gz CJMUFQPBEAEXIC-UHFFFAOYSA-N -1 3 271.316 3.352 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2C[C@@H](C)CC(C)(C)C2)c1 ZINC000542438209 376543247 /nfs/dbraw/zinc/54/32/47/376543247.db2.gz KUPBUMPCDDRDLC-LBPRGKRZSA-N -1 3 275.392 3.463 20 0 CGADHM CC[C@@H](NC(=O)c1cc([O-])ccc1Cl)c1nccs1 ZINC000233897312 376604612 /nfs/dbraw/zinc/60/46/12/376604612.db2.gz ZVSZPVIQGWNZRF-LLVKDONJSA-N -1 3 296.779 3.383 20 0 CGADHM CN(Cc1ccc(O)cc1)C(=O)c1cc([O-])ccc1Cl ZINC000234310962 376615180 /nfs/dbraw/zinc/61/51/80/376615180.db2.gz KQNWRYGLRILZOW-UHFFFAOYSA-N -1 3 291.734 3.023 20 0 CGADHM C[C@@H](C(=O)Nc1ccc(Cl)cc1[O-])N1CCCCCC1 ZINC000339007308 376627016 /nfs/dbraw/zinc/62/70/16/376627016.db2.gz OVEQDLIOJPYXFT-NSHDSACASA-N -1 3 296.798 3.249 20 0 CGADHM CC(C)c1ccc(C(=O)N(C)C[C@H]2CCCOC2)c([O-])c1 ZINC000264460053 190111372 /nfs/dbraw/zinc/11/13/72/190111372.db2.gz ISMCJOFHYBPZPQ-CYBMUJFWSA-N -1 3 291.391 3.014 20 0 CGADHM Cc1ccc([C@@H]2CCN(C(=O)c3c([O-])cccc3O)C2)cc1 ZINC000544338691 376722807 /nfs/dbraw/zinc/72/28/07/376722807.db2.gz VAIDBXSHBGQKSK-CQSZACIVSA-N -1 3 297.354 3.036 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2cccc(CCCO)c2)c1 ZINC000543842486 376682721 /nfs/dbraw/zinc/68/27/21/376682721.db2.gz KWXMVVJTSSXWBK-UHFFFAOYSA-N -1 3 299.370 3.132 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2ccc(OC(F)F)cc2)n1 ZINC000339114286 376687434 /nfs/dbraw/zinc/68/74/34/376687434.db2.gz BAFMHBMVRAFIAL-DAXSKMNVSA-N -1 3 278.258 3.262 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2cc(F)c(F)c(F)c2)n1 ZINC000339118079 376692415 /nfs/dbraw/zinc/69/24/15/376692415.db2.gz VPANAVXCMKJSNW-IHWYPQMZSA-N -1 3 266.222 3.078 20 0 CGADHM COc1ccc(NC(=O)[C@@H](C)c2ccccc2F)c([O-])c1 ZINC000135428118 542087485 /nfs/dbraw/zinc/08/74/85/542087485.db2.gz MKYLTLVARCXCTM-JTQLQIEISA-N -1 3 289.306 3.282 20 0 CGADHM COc1ccc(NC(=O)c2cccc3[nH]ccc32)c([O-])c1 ZINC000135403074 542087561 /nfs/dbraw/zinc/08/75/61/542087561.db2.gz SFXHHYWKAMMLOO-UHFFFAOYSA-N -1 3 282.299 3.134 20 0 CGADHM COc1ccc(NC(=O)c2cscc2C)c([O-])c1 ZINC000135404643 542087999 /nfs/dbraw/zinc/08/79/99/542087999.db2.gz ZZZYFXYDVBVHCW-UHFFFAOYSA-N -1 3 263.318 3.023 20 0 CGADHM COc1ccc(NC(=O)C2CCC(F)(F)CC2)c([O-])c1 ZINC000135418213 542088029 /nfs/dbraw/zinc/08/80/29/542088029.db2.gz CBTKGPIUNRHVSR-UHFFFAOYSA-N -1 3 285.290 3.165 20 0 CGADHM COc1cc(C)sc1C(=O)Nc1ccc(OC)cc1[O-] ZINC000135428157 542088211 /nfs/dbraw/zinc/08/82/11/542088211.db2.gz OGTXBHWMKRZKFV-UHFFFAOYSA-N -1 3 293.344 3.032 20 0 CGADHM COc1ccccc1CC(=O)Nc1ccc(Cl)cc1[O-] ZINC000153543412 542111944 /nfs/dbraw/zinc/11/19/44/542111944.db2.gz NUASJKOTLDCUFN-UHFFFAOYSA-N -1 3 291.734 3.235 20 0 CGADHM Cc1nc(C)c(C(=O)Nc2ccc(Cl)cc2[O-])s1 ZINC000153502171 542112164 /nfs/dbraw/zinc/11/21/64/542112164.db2.gz AWWKUAFRGUCNHN-UHFFFAOYSA-N -1 3 282.752 3.371 20 0 CGADHM Cc1sc(C(=O)[O-])cc1CN1CCCC[C@@H]1C ZINC000155948579 542126120 /nfs/dbraw/zinc/12/61/20/542126120.db2.gz RJKRBBCSDZHHBB-VIFPVBQESA-N -1 3 253.367 3.129 20 0 CGADHM O=C([O-])c1cnc2ccccc2c1N1C[C@@H]2CCC[C@H]2C1 ZINC000158184956 542141275 /nfs/dbraw/zinc/14/12/75/542141275.db2.gz QLZGTQWGYVWXFL-RYUDHWBXSA-N -1 3 282.343 3.169 20 0 CGADHM COc1ccc(NC(=O)c2cc(-c3ccco3)[n-]n2)c(C)c1 ZINC000339728689 376827656 /nfs/dbraw/zinc/82/76/56/376827656.db2.gz ADQKGRJMDQXMTD-UHFFFAOYSA-N -1 3 297.314 3.239 20 0 CGADHM COc1ccc(NC(=O)c2cc(-c3ccco3)n[n-]2)c(C)c1 ZINC000339728689 376827661 /nfs/dbraw/zinc/82/76/61/376827661.db2.gz ADQKGRJMDQXMTD-UHFFFAOYSA-N -1 3 297.314 3.239 20 0 CGADHM CC(=O)c1cccc(NC(=O)CCc2cccc(C)c2)c1[O-] ZINC000556893963 376902354 /nfs/dbraw/zinc/90/23/54/376902354.db2.gz CYZXHFAQJWZGEZ-UHFFFAOYSA-N -1 3 297.354 3.475 20 0 CGADHM Cc1ccc2nccc(N3C[C@@H]4CCC[C@@]4(C(=O)[O-])C3)c2c1 ZINC000557075681 376919437 /nfs/dbraw/zinc/91/94/37/376919437.db2.gz UIZQMURPKVHPCU-SCLBCKFNSA-N -1 3 296.370 3.234 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])[C@H]1Cc2ccccc21 ZINC000340234447 376956271 /nfs/dbraw/zinc/95/62/71/376956271.db2.gz INKNUGZUEPYZQW-LBPRGKRZSA-N -1 3 273.719 3.324 20 0 CGADHM Cc1ncc(CNCc2ccc(C3CCCC3)cc2)c(=O)[n-]1 ZINC000558652657 377028625 /nfs/dbraw/zinc/02/86/25/377028625.db2.gz BYPORTZNKSRDTD-UHFFFAOYSA-N -1 3 297.402 3.438 20 0 CGADHM Cc1n[nH]c(C)c1[C@@H](C)CC(=O)Nc1c(C)cccc1[O-] ZINC000558716534 377036600 /nfs/dbraw/zinc/03/66/00/377036600.db2.gz ZOXJQEZIDKYKJM-JTQLQIEISA-N -1 3 287.363 3.173 20 0 CGADHM Cc1n[nH]c(C)c1[C@H](C)CC(=O)Nc1c(C)cccc1[O-] ZINC000558716535 377037677 /nfs/dbraw/zinc/03/76/77/377037677.db2.gz ZOXJQEZIDKYKJM-SNVBAGLBSA-N -1 3 287.363 3.173 20 0 CGADHM O=C(Nc1cc(C(F)(F)F)ccc1[O-])C1CC(F)(F)C1 ZINC000340313860 376996979 /nfs/dbraw/zinc/99/69/79/376996979.db2.gz SDEDEOQTIPMDRQ-UHFFFAOYSA-N -1 3 295.207 3.395 20 0 CGADHM O=C([O-])C[C@@H]1CCCN(C/C=C\c2ccc(F)cc2F)C1 ZINC000560927635 377200176 /nfs/dbraw/zinc/20/01/76/377200176.db2.gz NUYOIGXEFUUOPM-QQHVMHFCSA-N -1 3 295.329 3.165 20 0 CGADHM CO[C@@H](c1noc(Cc2ccc([O-])cc2Cl)n1)C1CC1 ZINC000341255540 377468017 /nfs/dbraw/zinc/46/80/17/377468017.db2.gz FBENZIDXEYWKMR-CYBMUJFWSA-N -1 3 294.738 3.117 20 0 CGADHM C[C@@H]1CC[C@H](C(=O)[O-])[C@H](C)N1Cc1sccc1Cl ZINC000563456182 377471169 /nfs/dbraw/zinc/47/11/69/377471169.db2.gz SXIJAQXWUOTLNN-UTLUCORTSA-N -1 3 287.812 3.475 20 0 CGADHM CC(C)N(CCC(=O)[O-])Cc1cccc(Cl)c1F ZINC000167036300 542175416 /nfs/dbraw/zinc/17/54/16/542175416.db2.gz MAKOAALWQAYUSU-UHFFFAOYSA-N -1 3 273.735 3.164 20 0 CGADHM C[C@@H]1C[C@H](C)CN1Cc1cccc([O-])c1Br ZINC000315258204 249097669 /nfs/dbraw/zinc/09/76/69/249097669.db2.gz LNDWWMLYUAYZFM-VHSXEESVSA-N -1 3 284.197 3.385 20 0 CGADHM C[C@@H]1CCCN(Cc2cccc([O-])c2Br)C1 ZINC000315290906 249098075 /nfs/dbraw/zinc/09/80/75/249098075.db2.gz DFVQZRVGBHHFRG-SNVBAGLBSA-N -1 3 284.197 3.387 20 0 CGADHM CC(C)[C@@H]1CN(Cc2ccc(F)cc2C(=O)[O-])CCS1 ZINC000515305629 249206896 /nfs/dbraw/zinc/20/68/96/249206896.db2.gz CPSGAYGVNKWJJB-AWEZNQCLSA-N -1 3 297.395 3.097 20 0 CGADHM CN(CC1CCC1)[C@@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000514729655 249186770 /nfs/dbraw/zinc/18/67/70/249186770.db2.gz KHGMMMGVGDJURW-CYBMUJFWSA-N -1 3 285.746 3.337 20 0 CGADHM Cc1cc(C(=O)N(C)[C@H]2CCC(C)(C)C2)ccc1[O-] ZINC000358082710 291679972 /nfs/dbraw/zinc/67/99/72/291679972.db2.gz CJNGSUJFDJWHJA-ZDUSSCGKSA-N -1 3 261.365 3.351 20 0 CGADHM C[C@@H](NCc1occc1C(=O)[O-])[C@@H](C)c1ccccc1 ZINC000517240743 249260739 /nfs/dbraw/zinc/26/07/39/249260739.db2.gz MLQLJFGMEUKHSQ-VXGBXAGGSA-N -1 3 273.332 3.260 20 0 CGADHM CCS[C@H]1CCCCN(Cc2occc2C(=O)[O-])C1 ZINC000574164381 377628159 /nfs/dbraw/zinc/62/81/59/377628159.db2.gz KNZJDBRVBPPFIM-NSHDSACASA-N -1 3 283.393 3.085 20 0 CGADHM CC(C)N(Cc1ccco1)Cc1ccccc1C(=O)[O-] ZINC000574578263 377683499 /nfs/dbraw/zinc/68/34/99/377683499.db2.gz OAVXMZAVZKLTJK-UHFFFAOYSA-N -1 3 273.332 3.388 20 0 CGADHM Cc1cc(C(=O)N2CCC3(C2)CCCCC3)ccc1[O-] ZINC000336828695 291686072 /nfs/dbraw/zinc/68/60/72/291686072.db2.gz CORONYCHHIXECR-UHFFFAOYSA-N -1 3 273.376 3.497 20 0 CGADHM CCC[C@H](C)S(=O)(=O)[N-]c1cccc2c1ccn2C ZINC000574815301 377712427 /nfs/dbraw/zinc/71/24/27/377712427.db2.gz UXDXEMZMHRAXBZ-NSHDSACASA-N -1 3 280.393 3.109 20 0 CGADHM CC[C@@H](F)CN(CCCC(=O)[O-])Cc1ccccc1 ZINC000575131104 377752256 /nfs/dbraw/zinc/75/22/56/377752256.db2.gz TYOUMZDBEFHQOS-CQSZACIVSA-N -1 3 267.344 3.102 20 0 CGADHM CC(C)(CCNCc1cc(Cl)ccc1F)C(=O)[O-] ZINC000261590094 377824064 /nfs/dbraw/zinc/82/40/64/377824064.db2.gz WTNMOPRHYSLWRV-UHFFFAOYSA-N -1 3 273.735 3.070 20 0 CGADHM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C/C=C/c1ccc(F)cc1F ZINC000263359445 377929299 /nfs/dbraw/zinc/92/92/99/377929299.db2.gz RPWOFYGHZPBIGQ-FTYDKLPRSA-N -1 3 295.329 3.163 20 0 CGADHM O=C([O-])CCCNCc1ccc(Oc2ccccc2)o1 ZINC000263432229 377935887 /nfs/dbraw/zinc/93/58/87/377935887.db2.gz SMZQGQUCSKRTNR-UHFFFAOYSA-N -1 3 275.304 3.026 20 0 CGADHM C[C@@H](NCc1csc(-c2ccsc2)n1)[C@H](C)C(=O)[O-] ZINC000577878578 378019390 /nfs/dbraw/zinc/01/93/90/378019390.db2.gz OXMJQJIFRRIPQP-DTWKUNHWSA-N -1 3 296.417 3.070 20 0 CGADHM CC[C@H](C)[C@@H](C)N(C(=O)c1ccc(OC)cc1[O-])C1CC1 ZINC000264363557 377979356 /nfs/dbraw/zinc/97/93/56/377979356.db2.gz JLIKGUSEGLFUBS-NWDGAFQWSA-N -1 3 291.391 3.440 20 0 CGADHM Cc1oc(C(=O)[O-])cc1CN1CC[C@](C)(c2ccccc2)C1 ZINC000575755179 377987467 /nfs/dbraw/zinc/98/74/67/377987467.db2.gz CVNRWTCVERNVKG-SFHVURJKSA-N -1 3 299.370 3.450 20 0 CGADHM C[C@@H](NCc1csc(-c2ccsc2)n1)[C@@H](C)C(=O)[O-] ZINC000577878580 378020035 /nfs/dbraw/zinc/02/00/35/378020035.db2.gz OXMJQJIFRRIPQP-RKDXNWHRSA-N -1 3 296.417 3.070 20 0 CGADHM O=C(Nc1nc(-c2cccnc2)cs1)c1cccc([O-])c1 ZINC000343833405 378108486 /nfs/dbraw/zinc/10/84/86/378108486.db2.gz YGFJAOGBTJYFJD-UHFFFAOYSA-N -1 3 297.339 3.163 20 0 CGADHM CCS[C@H]1CC[C@@H](N(C)Cc2occc2C(=O)[O-])C1 ZINC000578874709 378108966 /nfs/dbraw/zinc/10/89/66/378108966.db2.gz DDOIAQPBMPYIGM-MNOVXSKESA-N -1 3 283.393 3.084 20 0 CGADHM CC(C)(C)CC[C@H](NCc1cccc(F)c1F)C(=O)[O-] ZINC000579426384 378158443 /nfs/dbraw/zinc/15/84/43/378158443.db2.gz CNTRBEHTRLJOCU-LBPRGKRZSA-N -1 3 285.334 3.334 20 0 CGADHM CCc1cc(=O)[n-]c(CN2CCCC[C@@H]2[C@H](C)CC)n1 ZINC000344398204 378168185 /nfs/dbraw/zinc/16/81/85/378168185.db2.gz INNJJUIOSYQQOR-TZMCWYRMSA-N -1 3 277.412 3.145 20 0 CGADHM Cc1cc2c([nH]c(-c3cc([O-])cc(F)c3)nc2=O)s1 ZINC000345215348 378225042 /nfs/dbraw/zinc/22/50/42/378225042.db2.gz XRPPFKBWLFQFNJ-UHFFFAOYSA-N -1 3 276.292 3.217 20 0 CGADHM CCc1coc(NC(=O)CCCc2ccc([O-])c(F)c2)n1 ZINC000580345711 378243601 /nfs/dbraw/zinc/24/36/01/378243601.db2.gz QUOHONPXSUJFDG-UHFFFAOYSA-N -1 3 292.310 3.043 20 0 CGADHM C[C@@H]1CCN(CCc2c(F)cccc2Cl)C[C@@H]1C(=O)[O-] ZINC000580713786 378251570 /nfs/dbraw/zinc/25/15/70/378251570.db2.gz KRUPWALWLOIQBO-PWSUYJOCSA-N -1 3 299.773 3.064 20 0 CGADHM C[C@H]1CCN(CCc2c(F)cccc2Cl)C[C@@H]1C(=O)[O-] ZINC000580713785 378251758 /nfs/dbraw/zinc/25/17/58/378251758.db2.gz KRUPWALWLOIQBO-JQWIXIFHSA-N -1 3 299.773 3.064 20 0 CGADHM C[C@H]1CCN(C(=O)CCCc2ccc([O-])c(F)c2)[C@H]1C ZINC000345915346 378406960 /nfs/dbraw/zinc/40/69/60/378406960.db2.gz UFIFYUTUJBLRNY-RYUDHWBXSA-N -1 3 279.355 3.111 20 0 CGADHM Cc1ccc([O-])c(NC(=O)Cc2ccc(F)cc2Cl)n1 ZINC000345930350 378411888 /nfs/dbraw/zinc/41/18/88/378411888.db2.gz PNMSZQGKFRGCRE-UHFFFAOYSA-N -1 3 294.713 3.069 20 0 CGADHM Cc1ccc([O-])c(NC(=O)[C@@H]2CC23CCCCC3)n1 ZINC000345930203 378412171 /nfs/dbraw/zinc/41/21/71/378412171.db2.gz OVQMEKCPJUYVPW-NSHDSACASA-N -1 3 260.337 3.005 20 0 CGADHM CCCc1nc(C)c(C(=O)Nc2ccc([O-])cc2F)o1 ZINC000345997395 378433908 /nfs/dbraw/zinc/43/39/08/378433908.db2.gz VAKUTRYHUUZLSF-UHFFFAOYSA-N -1 3 278.283 3.033 20 0 CGADHM Cc1ccc([O-])c(NC(=O)[C@H](C)Sc2ccccc2)n1 ZINC000345997268 378433926 /nfs/dbraw/zinc/43/39/26/378433926.db2.gz TULAWFBVPPOYSB-NSHDSACASA-N -1 3 288.372 3.215 20 0 CGADHM Cc1noc(C(F)F)c1C(=O)[N-]c1nc(C(C)C)co1 ZINC000637636308 378548621 /nfs/dbraw/zinc/54/86/21/378548621.db2.gz RJDWSOGRZXENFD-UHFFFAOYSA-N -1 3 285.250 3.284 20 0 CGADHM CC[C@@H](c1ccncc1)N(CC)C(=O)c1cccc([O-])c1 ZINC000272551712 378662944 /nfs/dbraw/zinc/66/29/44/378662944.db2.gz AWGNSSMQNDGKFF-INIZCTEOSA-N -1 3 284.359 3.401 20 0 CGADHM CC[C@H]1C[C@@H](CC(=O)Nc2cc(F)ccc2[O-])CCO1 ZINC000272868949 378715948 /nfs/dbraw/zinc/71/59/48/378715948.db2.gz SZIXMSBSBHMEQP-JQWIXIFHSA-N -1 3 281.327 3.065 20 0 CGADHM CCCc1cc(C(=O)N2CC[C@@H](C)c3cccc([O-])c32)n[nH]1 ZINC000186290194 542242194 /nfs/dbraw/zinc/24/21/94/542242194.db2.gz JOQDXVWZDRJARF-LLVKDONJSA-N -1 3 299.374 3.222 20 0 CGADHM C[C@H]1CCN(C(=O)COC2CCCC2)c2c([O-])cccc21 ZINC000274418492 378829986 /nfs/dbraw/zinc/82/99/86/378829986.db2.gz XLMOQCRFFWDKJW-LBPRGKRZSA-N -1 3 289.375 3.192 20 0 CGADHM C[C@@H]1C[C@@H](C(=O)N2CC[C@H](C)c3cccc([O-])c32)CCO1 ZINC000274356724 378818284 /nfs/dbraw/zinc/81/82/84/378818284.db2.gz JXHRXPSUJFYODW-XQQFMLRXSA-N -1 3 289.375 3.048 20 0 CGADHM c1cc(-c2noc(-c3n[n-]nc3-c3ccccc3)n2)cs1 ZINC000347081997 218114985 /nfs/dbraw/zinc/11/49/85/218114985.db2.gz KUVZPQAXVAOXBT-UHFFFAOYSA-N -1 3 295.327 3.250 20 0 CGADHM CCOc1cccc(CN[C@H](C(=O)[O-])c2ccc(C)cc2)c1 ZINC000276935984 379025007 /nfs/dbraw/zinc/02/50/07/379025007.db2.gz CCZOTDQGLTWIEH-KRWDZBQOSA-N -1 3 299.370 3.309 20 0 CGADHM COc1cc(C(=O)N2CCC(C(C)(C)C)CC2)ccc1[O-] ZINC000276967677 379033407 /nfs/dbraw/zinc/03/34/07/379033407.db2.gz SWEJIFNNLHMEPD-UHFFFAOYSA-N -1 3 291.391 3.299 20 0 CGADHM CC[C@H](NC(=O)c1csc(=O)[n-]1)c1cc(F)ccc1F ZINC000348901639 379105817 /nfs/dbraw/zinc/10/58/17/379105817.db2.gz RLYOTJOMFFSCQI-JTQLQIEISA-N -1 3 298.314 3.008 20 0 CGADHM C[C@H](CCCNCc1cccc(Cl)c1F)C(=O)[O-] ZINC000277322429 379131128 /nfs/dbraw/zinc/13/11/28/379131128.db2.gz NYCKAUIWBAHSSK-SECBINFHSA-N -1 3 273.735 3.070 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)CC(C)(F)F)c1[O-] ZINC000277436579 379158014 /nfs/dbraw/zinc/15/80/14/379158014.db2.gz WGFNUXARVUNKQV-UHFFFAOYSA-N -1 3 263.671 3.338 20 0 CGADHM CCOc1cc(-c2noc([C@@H]3CCCCO3)n2)ccc1[O-] ZINC000277750359 379228497 /nfs/dbraw/zinc/22/84/97/379228497.db2.gz AUHMLZDTWAACHB-LBPRGKRZSA-N -1 3 290.319 3.083 20 0 CGADHM [O-]c1cc(F)cc(CNCc2ccc3ccccc3n2)c1 ZINC000349647867 379328691 /nfs/dbraw/zinc/32/86/91/379328691.db2.gz WGZVOUCPCNUHIU-UHFFFAOYSA-N -1 3 282.318 3.369 20 0 CGADHM C[C@@H]1CC[C@@H](NC(=O)c2cc(=O)c3ccccc3[n-]2)C[C@H]1C ZINC000349581266 379311736 /nfs/dbraw/zinc/31/17/36/379311736.db2.gz DJPABOYJHMTJMU-JHJVBQTASA-N -1 3 298.386 3.083 20 0 CGADHM [O-]c1cc(F)cc(CNC2(c3ccc(F)cc3)CC2)c1 ZINC000349597734 379315542 /nfs/dbraw/zinc/31/55/42/379315542.db2.gz JXHLHKIFOBQVNW-UHFFFAOYSA-N -1 3 275.298 3.449 20 0 CGADHM CCO[C@@H](CNC(=O)c1ccc([O-])c(C)c1)c1ccccc1 ZINC000278409121 379376784 /nfs/dbraw/zinc/37/67/84/379376784.db2.gz RVRZKBBEQAYRRQ-KRWDZBQOSA-N -1 3 299.370 3.208 20 0 CGADHM CCOc1cc(-c2noc(-c3ccoc3C)n2)ccc1[O-] ZINC000350794233 379585516 /nfs/dbraw/zinc/58/55/16/379585516.db2.gz PUIBMYINERJDEJ-UHFFFAOYSA-N -1 3 286.287 3.409 20 0 CGADHM O=C(NCc1ccc([O-])c(F)c1)N1CCC2(CCC2)CC1 ZINC000376767570 379601173 /nfs/dbraw/zinc/60/11/73/379601173.db2.gz VFYBYFFVPWVLOK-UHFFFAOYSA-N -1 3 292.354 3.007 20 0 CGADHM Cc1cn2cc(-c3nc(-c4ccc([O-])cc4)no3)sc2n1 ZINC000350566692 379562624 /nfs/dbraw/zinc/56/26/24/379562624.db2.gz PBWKEQKPYFATAU-UHFFFAOYSA-N -1 3 298.327 3.127 20 0 CGADHM COc1cc(-c2noc(-c3ccsc3)n2)ccc1[O-] ZINC000350565776 379563017 /nfs/dbraw/zinc/56/30/17/379563017.db2.gz BFHOZLXOVVOOOR-UHFFFAOYSA-N -1 3 274.301 3.179 20 0 CGADHM COc1ccc(OC)c([C@H](C)[N-]c2nc(C(C)C)no2)c1 ZINC000267174407 190308621 /nfs/dbraw/zinc/30/86/21/190308621.db2.gz CWYAKNAAAKLOGD-JTQLQIEISA-N -1 3 291.351 3.383 20 0 CGADHM CSCCON=C([O-])Nc1ccc(Cl)c(Cl)c1 ZINC000280503336 379720638 /nfs/dbraw/zinc/72/06/38/379720638.db2.gz LEGKYJOLRHSAJO-UHFFFAOYSA-N -1 3 295.191 3.410 20 0 CGADHM CSCCO[N-]C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000280503336 379720644 /nfs/dbraw/zinc/72/06/44/379720644.db2.gz LEGKYJOLRHSAJO-UHFFFAOYSA-N -1 3 295.191 3.410 20 0 CGADHM CSCCON=C([O-])Nc1ccc(Cl)cc1Cl ZINC000280624932 379748923 /nfs/dbraw/zinc/74/89/23/379748923.db2.gz WQKGWHCCOXDBAU-UHFFFAOYSA-N -1 3 295.191 3.410 20 0 CGADHM CSCCO[N-]C(=O)Nc1ccc(Cl)cc1Cl ZINC000280624932 379748932 /nfs/dbraw/zinc/74/89/32/379748932.db2.gz WQKGWHCCOXDBAU-UHFFFAOYSA-N -1 3 295.191 3.410 20 0 CGADHM CC[C@@H](C(=O)NCc1ncccc1[O-])C1CCC(C)CC1 ZINC000352517566 379841934 /nfs/dbraw/zinc/84/19/34/379841934.db2.gz QSPYCRFICLECKA-JXQTWKCFSA-N -1 3 290.407 3.256 20 0 CGADHM O=C([N-][C@@H](c1ccc(F)cc1)C1CCC1)C(F)F ZINC000279025463 194254212 /nfs/dbraw/zinc/25/42/12/194254212.db2.gz MZCVJVGMPDIVLI-LLVKDONJSA-N -1 3 257.255 3.048 20 0 CGADHM Cc1nc(CNCc2c(F)ccc([O-])c2F)sc1C ZINC000352641416 379886319 /nfs/dbraw/zinc/88/63/19/379886319.db2.gz PYGNZUYBEOJRRS-UHFFFAOYSA-N -1 3 284.331 3.034 20 0 CGADHM CC[C@@H](CNC(=O)c1ccc([O-])c(C)c1)CC(F)(F)F ZINC000402496578 379965766 /nfs/dbraw/zinc/96/57/66/379965766.db2.gz YJNABBFJAHMYKS-SNVBAGLBSA-N -1 3 289.297 3.409 20 0 CGADHM CCC(=O)c1ccc(C(=O)Nc2cccc(OC)c2[O-])cc1 ZINC000352746376 379935970 /nfs/dbraw/zinc/93/59/70/379935970.db2.gz PWEYAEFSQFWCAB-UHFFFAOYSA-N -1 3 299.326 3.246 20 0 CGADHM CC(C)(C)c1ccc(CCC(=O)Nc2ccncc2[O-])cc1 ZINC000409453596 380038575 /nfs/dbraw/zinc/03/85/75/380038575.db2.gz VPAGOOXBYDMORQ-UHFFFAOYSA-N -1 3 298.386 3.078 20 0 CGADHM Cc1ccc([O-])c(CNC2(C(F)F)CCCCC2)n1 ZINC000353052159 380094953 /nfs/dbraw/zinc/09/49/53/380094953.db2.gz JFDWHQZWZUPICT-UHFFFAOYSA-N -1 3 270.323 3.153 20 0 CGADHM O=C([N-]CC1(Cc2ccccc2)CCC1)C(F)(F)F ZINC000268158996 190381626 /nfs/dbraw/zinc/38/16/26/190381626.db2.gz HQFOWNSUFLHPAE-UHFFFAOYSA-N -1 3 271.282 3.078 20 0 CGADHM CCN(Cc1cccs1)C(=O)c1ccc([O-])c(OC)c1 ZINC000268066185 190373878 /nfs/dbraw/zinc/37/38/78/190373878.db2.gz HMWDAEXTFUQSSX-UHFFFAOYSA-N -1 3 291.372 3.125 20 0 CGADHM Cc1cc(OCCOc2ccccc2)cc2occ([O-])c21 ZINC000642610038 380180961 /nfs/dbraw/zinc/18/09/61/380180961.db2.gz OMSKXUGHOBIUBU-UHFFFAOYSA-N -1 3 284.311 3.028 20 0 CGADHM COCc1ccccc1/C=C(\C)CNCc1ncccc1[O-] ZINC000353254474 380191100 /nfs/dbraw/zinc/19/11/00/380191100.db2.gz DHYGJEFMEZJPQX-GXDHUFHOSA-N -1 3 298.386 3.127 20 0 CGADHM O=C(Nc1ccc(OC(F)(F)F)cc1[O-])[C@@H]1CC12CC2 ZINC000643351115 380292500 /nfs/dbraw/zinc/29/25/00/380292500.db2.gz PWYUIIJORVWAEL-QMMMGPOBSA-N -1 3 287.237 3.029 20 0 CGADHM CC(=O)[C@H]1C[C@@H](CC(=O)Nc2c(C)cccc2[O-])C1(C)C ZINC000354162728 380349242 /nfs/dbraw/zinc/34/92/42/380349242.db2.gz WSJCFDVTYIIGHC-QWHCGFSZSA-N -1 3 289.375 3.281 20 0 CGADHM CCC(CC)(CNCc1nc2c(s1)CCCC2)C(=O)[O-] ZINC000644182701 380427165 /nfs/dbraw/zinc/42/71/65/380427165.db2.gz XEMBEGMVFUYXSF-UHFFFAOYSA-N -1 3 296.436 3.003 20 0 CGADHM Cc1cc(C(=O)Nc2ccccc2-n2ccnc2)ccc1[O-] ZINC000354445984 380442126 /nfs/dbraw/zinc/44/21/26/380442126.db2.gz MUUVHXAYOSGAIE-UHFFFAOYSA-N -1 3 293.326 3.139 20 0 CGADHM CCc1cc(C(=O)N[C@H](C)c2c(C)noc2C)ccc1[O-] ZINC000643985914 380405197 /nfs/dbraw/zinc/40/51/97/380405197.db2.gz JEANVEFATVBMCM-SECBINFHSA-N -1 3 288.347 3.050 20 0 CGADHM CCc1cc(C(=O)Nc2cnccc2SC)ccc1[O-] ZINC000644015532 380407839 /nfs/dbraw/zinc/40/78/39/380407839.db2.gz WALYTZKMKOSNRR-UHFFFAOYSA-N -1 3 288.372 3.324 20 0 CGADHM Cc1cc(C(=O)NCc2nccc3ccccc32)ccc1[O-] ZINC000354346249 380408264 /nfs/dbraw/zinc/40/82/64/380408264.db2.gz SMRIOEPTTOYVMT-UHFFFAOYSA-N -1 3 292.338 3.179 20 0 CGADHM C[C@H](Cn1ccc2ccccc21)C(=O)Nc1ncccc1[O-] ZINC000354622671 380505195 /nfs/dbraw/zinc/50/51/95/380505195.db2.gz ZOVYGKWFYKGGHW-GFCCVEGCSA-N -1 3 295.342 3.017 20 0 CGADHM C[C@@H]1CCCCN1C(=O)c1cc([O-])ccc1C(F)(F)F ZINC000194987044 296310087 /nfs/dbraw/zinc/31/00/87/296310087.db2.gz VLOCDBVNQCIHFM-SECBINFHSA-N -1 3 287.281 3.426 20 0 CGADHM Cc1ccc(NCc2cc(=O)[n-]c(C3CC3)n2)c(C)c1 ZINC000416994767 380557977 /nfs/dbraw/zinc/55/79/77/380557977.db2.gz SFXCWNCIPFPQSC-UHFFFAOYSA-N -1 3 269.348 3.289 20 0 CGADHM O=c1cc(CNc2cccc(Cl)c2F)nc(C2CC2)[n-]1 ZINC000417006760 380560230 /nfs/dbraw/zinc/56/02/30/380560230.db2.gz SRSSBGDMHLGPJB-UHFFFAOYSA-N -1 3 293.729 3.464 20 0 CGADHM [O-]c1cc(F)cc(CN2CCOc3cc(F)ccc32)c1 ZINC000355048150 380569941 /nfs/dbraw/zinc/56/99/41/380569941.db2.gz XXVALAYVMYBLDN-UHFFFAOYSA-N -1 3 277.270 3.069 20 0 CGADHM CCOc1c(Cl)cccc1CNC[C@@H](C(=O)[O-])C(C)C ZINC000417534493 380633453 /nfs/dbraw/zinc/63/34/53/380633453.db2.gz OKZATSHHTZIJQK-GFCCVEGCSA-N -1 3 299.798 3.185 20 0 CGADHM C[C@H](NCc1ccc(-c2ccccc2F)o1)[C@H](C)C(=O)[O-] ZINC000417614928 380651939 /nfs/dbraw/zinc/65/19/39/380651939.db2.gz SPQZRAGYSNMXQD-QWRGUYRKSA-N -1 3 291.322 3.285 20 0 CGADHM CCOC(=O)c1ccc(NC(=O)C2=C(C)CCC2)c([O-])c1 ZINC000356800699 380878360 /nfs/dbraw/zinc/87/83/60/380878360.db2.gz XTFXVXQMFQLIRJ-UHFFFAOYSA-N -1 3 289.331 3.008 20 0 CGADHM Cc1cc([C@@H](C)NC(=O)c2cccc([O-])c2)ccc1F ZINC000357293020 381095327 /nfs/dbraw/zinc/09/53/27/381095327.db2.gz AZQHVLJUOYWFOO-LLVKDONJSA-N -1 3 273.307 3.331 20 0 CGADHM C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)c1cccc([O-])c1 ZINC000357301682 381097545 /nfs/dbraw/zinc/09/75/45/381097545.db2.gz GCHVZGRLYQLQSR-BXUZGUMPSA-N -1 3 261.365 3.337 20 0 CGADHM Cc1cc(F)cc(C(=O)Nc2cccc([O-])c2F)c1 ZINC000334798856 207095994 /nfs/dbraw/zinc/09/59/94/207095994.db2.gz PAFIIDZYWDCCGX-UHFFFAOYSA-N -1 3 263.243 3.231 20 0 CGADHM CCN=c1[n-]c(C(=O)N2CCCC[C@@H]2[C@@H](C)CC)cs1 ZINC000357914313 381286974 /nfs/dbraw/zinc/28/69/74/381286974.db2.gz SJMZCROPVOFIJS-WCQYABFASA-N -1 3 295.452 3.038 20 0 CGADHM CSc1cc(C)ccc1[N-]C(=O)c1snnc1C ZINC000334821114 207135152 /nfs/dbraw/zinc/13/51/52/207135152.db2.gz VKABOPOEQGARDH-UHFFFAOYSA-N -1 3 279.390 3.129 20 0 CGADHM CC(=O)c1ccc(C(=O)N2CC3(C2)CCCCC3)cc1[O-] ZINC000334827191 207144733 /nfs/dbraw/zinc/14/47/33/207144733.db2.gz HBKRUEVGJOIWPF-UHFFFAOYSA-N -1 3 287.359 3.001 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)[C@@H]2CC=CC[C@H]2C)c1-c1ccccc1 ZINC000334843591 207175212 /nfs/dbraw/zinc/17/52/12/207175212.db2.gz BOSJZMRPZBMJEX-IUODEOHRSA-N -1 3 295.386 3.348 20 0 CGADHM CC[C@@H](C)n1ncc(NC(=O)c2cccc([O-])c2)c1C ZINC000361304500 381685281 /nfs/dbraw/zinc/68/52/81/381685281.db2.gz JIALLNWRFMAFJL-SNVBAGLBSA-N -1 3 273.336 3.120 20 0 CGADHM Cc1cc(NC(=O)c2cc3cc(Cl)sc3[n-]2)ccn1 ZINC000362799883 382122472 /nfs/dbraw/zinc/12/24/72/382122472.db2.gz YVNRYMCXSQKTSP-UHFFFAOYSA-N -1 3 291.763 3.260 20 0 CGADHM CCc1cc(C(=O)N2CC[C@H](C)[C@@H](C)C2)ccc1[O-] ZINC000363002295 382176151 /nfs/dbraw/zinc/17/61/51/382176151.db2.gz TWGYQHVARLQWKJ-RYUDHWBXSA-N -1 3 261.365 3.073 20 0 CGADHM CCc1cc(=O)[n-]c(CN2CCC[C@@H]2CCC(C)C)n1 ZINC000362947816 382160018 /nfs/dbraw/zinc/16/00/18/382160018.db2.gz CSLQUPWJGVDTJS-CQSZACIVSA-N -1 3 277.412 3.145 20 0 CGADHM COc1cc(NCc2nc(C)ccc2[O-])c(C)cc1C ZINC000280320266 194797452 /nfs/dbraw/zinc/79/74/52/194797452.db2.gz QJEMQGMCFBDLRU-UHFFFAOYSA-N -1 3 272.348 3.333 20 0 CGADHM O=C(c1ccc(O)cc1[O-])N1CCCC[C@@H]1c1ccccc1 ZINC000273817132 542369665 /nfs/dbraw/zinc/36/96/65/542369665.db2.gz CCUMHBQZNULLIS-MRXNPFEDSA-N -1 3 297.354 3.465 20 0 CGADHM C[C@H]1CCN(C(=O)c2cc([O-])c3ccccc3c2)[C@H]1C ZINC000280155443 542381172 /nfs/dbraw/zinc/38/11/72/542381172.db2.gz BNYIHCUOBLSBSI-RYUDHWBXSA-N -1 3 269.344 3.416 20 0 CGADHM C[C@@H]1CN(C(=O)c2cc([O-])c3ccccc3c2)C[C@H]1C ZINC000280506695 542381977 /nfs/dbraw/zinc/38/19/77/542381977.db2.gz WUSZFLPEXZSDOL-VXGBXAGGSA-N -1 3 269.344 3.273 20 0 CGADHM CO[C@H]1CCN(C(=O)c2cc([O-])c3ccccc3c2)[C@@H](C)C1 ZINC000281876265 542385060 /nfs/dbraw/zinc/38/50/60/542385060.db2.gz WWNHKUVUIMBAMB-WFASDCNBSA-N -1 3 299.370 3.185 20 0 CGADHM CCc1nc(C)c(C(=O)[N-]c2ccc(O)cc2SC)o1 ZINC000350244071 219001901 /nfs/dbraw/zinc/00/19/01/219001901.db2.gz YOHUMRFATCWCPK-UHFFFAOYSA-N -1 3 292.360 3.225 20 0 CGADHM CN(Cc1ccccc1F)Cc1c(F)ccc([O-])c1F ZINC000350238743 219001978 /nfs/dbraw/zinc/00/19/78/219001978.db2.gz DWOVYBMURSPNEO-UHFFFAOYSA-N -1 3 281.277 3.442 20 0 CGADHM CO[C@@H]1CCC[C@@H](CC(=O)Nc2cc(F)ccc2[O-])C1 ZINC000281203744 195148156 /nfs/dbraw/zinc/14/81/56/195148156.db2.gz NGTOAOVNCIPYPH-ZYHUDNBSSA-N -1 3 281.327 3.065 20 0 CGADHM CC[C@@H]([N-]c1nnc(C)o1)c1nc(C(F)(F)F)cs1 ZINC000288367122 197060454 /nfs/dbraw/zinc/06/04/54/197060454.db2.gz LBEOMVPCHRXKKM-ZCFIWIBFSA-N -1 3 292.286 3.417 20 0 CGADHM O=C(c1cc([O-])c2ccccc2c1)N1CC[C@H]1C1CC1 ZINC000334546513 542458190 /nfs/dbraw/zinc/45/81/90/542458190.db2.gz XQBVNUAIOHAFJL-HNNXBMFYSA-N -1 3 267.328 3.170 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])C1(CF)CCC1 ZINC000335487940 542469655 /nfs/dbraw/zinc/46/96/55/542469655.db2.gz QCRFIVHOACFVSQ-UHFFFAOYSA-N -1 3 257.692 3.124 20 0 CGADHM CC1(C)C[C@@H](NC(=O)c2cc([O-])c3ccccc3c2)CCO1 ZINC000336013848 542473969 /nfs/dbraw/zinc/47/39/69/542473969.db2.gz PYTNQPHWGPOFOU-AWEZNQCLSA-N -1 3 299.370 3.233 20 0 CGADHM C[C@@H]1C[C@H](c2ccccc2)N(C(=O)c2csc(=O)[n-]2)C1 ZINC000336536726 542477647 /nfs/dbraw/zinc/47/76/47/542477647.db2.gz PGJBUMKMDZBHDA-ZWNOBZJWSA-N -1 3 288.372 3.072 20 0 CGADHM O=C(Nc1cccnc1)c1cc([O-])c2ccccc2c1 ZINC000349281232 542525289 /nfs/dbraw/zinc/52/52/89/542525289.db2.gz KDSOTWZUIYBUBO-UHFFFAOYSA-N -1 3 264.284 3.193 20 0 CGADHM Cc1ccc(-c2nc3ccc(O)cc3c(=O)[n-]2)cc1F ZINC000351851742 542552002 /nfs/dbraw/zinc/55/20/02/542552002.db2.gz MDJOJHAYTHUPCI-UHFFFAOYSA-N -1 3 270.263 3.156 20 0 CGADHM CO[C@@H]1C[C@@H](NC(=O)c2cc([O-])c3ccccc3c2)C1(C)C ZINC000354818874 542564937 /nfs/dbraw/zinc/56/49/37/542564937.db2.gz KBJDUBAIPRUVIO-HZPDHXFCSA-N -1 3 299.370 3.089 20 0 CGADHM O=C(NCC1(C(F)F)CC1)c1cc([O-])c2ccccc2c1 ZINC000356172055 542569855 /nfs/dbraw/zinc/56/98/55/542569855.db2.gz CEIYYQRJVDBUGR-UHFFFAOYSA-N -1 3 291.297 3.321 20 0 CGADHM CC[C@@H]1CN(C(=O)c2ccc(C(C)C)cc2[O-])CCCO1 ZINC000281572565 195292465 /nfs/dbraw/zinc/29/24/65/195292465.db2.gz LLZDZAVMVXGAKX-CQSZACIVSA-N -1 3 291.391 3.157 20 0 CGADHM CO[C@H]1CCN(C(=O)c2ccc(C(C)C)cc2[O-])[C@@H](C)C1 ZINC000281823573 195397048 /nfs/dbraw/zinc/39/70/48/195397048.db2.gz RHMGXLZJFOGVHE-JSGCOSHPSA-N -1 3 291.391 3.155 20 0 CGADHM [O-]c1ccc(-c2noc([C@H]3OCCc4ccccc43)n2)cc1 ZINC000362782462 285384112 /nfs/dbraw/zinc/38/41/12/285384112.db2.gz UBMBXKBINNJRJF-HNNXBMFYSA-N -1 3 294.310 3.104 20 0 CGADHM COc1ccc(C(=O)N[C@H](C)[C@H](C)c2ccccc2)c([O-])c1 ZINC000436574718 533341928 /nfs/dbraw/zinc/34/19/28/533341928.db2.gz LSXPZDDPHZQEJQ-QWHCGFSZSA-N -1 3 299.370 3.323 20 0 CGADHM COC[C@@H](NC(=O)c1ccc(C)c(C)c1[O-])c1ccccc1 ZINC000436568858 533359036 /nfs/dbraw/zinc/35/90/36/533359036.db2.gz WSPLBSMNDNRLGR-MRXNPFEDSA-N -1 3 299.370 3.127 20 0 CGADHM COc1cc(-c2noc(-c3cccc(C)c3)n2)ccc1[O-] ZINC000436783871 533456295 /nfs/dbraw/zinc/45/62/95/533456295.db2.gz IXDCGPFHYJFZPS-UHFFFAOYSA-N -1 3 282.299 3.426 20 0 CGADHM COc1cccc(C(=O)N[C@@H]2CCC[C@@H](C(C)C)C2)c1[O-] ZINC000436595117 533415554 /nfs/dbraw/zinc/41/55/54/533415554.db2.gz KKXAWJWUOYZVDC-CHWSQXEVSA-N -1 3 291.391 3.345 20 0 CGADHM COc1cc(-c2noc(-c3ccc(C)s3)n2)ccc1[O-] ZINC000436788879 533456968 /nfs/dbraw/zinc/45/69/68/533456968.db2.gz IWSHWESEHBBXKB-UHFFFAOYSA-N -1 3 288.328 3.488 20 0 CGADHM COc1c(F)cc(F)cc1NC(=O)c1cc(C)ccc1[O-] ZINC000436582796 533430103 /nfs/dbraw/zinc/43/01/03/533430103.db2.gz CAZIWINILDZOHH-UHFFFAOYSA-N -1 3 293.269 3.240 20 0 CGADHM Cc1ccc(C(=O)Nc2ccc(CO)c(Cl)c2)c([O-])c1 ZINC000436917690 533607672 /nfs/dbraw/zinc/60/76/72/533607672.db2.gz YDAOLDGRDMVGLQ-UHFFFAOYSA-N -1 3 291.734 3.099 20 0 CGADHM Cc1ccc(C(=O)Nc2ccc3n[nH]cc3c2)c([O-])c1C ZINC000436759455 533612102 /nfs/dbraw/zinc/61/21/02/533612102.db2.gz XWVYRAVYAFYECI-UHFFFAOYSA-N -1 3 281.315 3.138 20 0 CGADHM Cc1ccc(C(=O)Nc2cnn(-c3ccccc3)c2)c([O-])c1 ZINC000436548322 533617884 /nfs/dbraw/zinc/61/78/84/533617884.db2.gz QPBZYWLHXKSTRW-UHFFFAOYSA-N -1 3 293.326 3.139 20 0 CGADHM [O-]c1coc2cc(OC[C@@H]3CC[C@H]4C[C@H]4C3)ccc12 ZINC000403116695 542623499 /nfs/dbraw/zinc/62/34/99/542623499.db2.gz LXBZMTSIWQPIPQ-GRYCIOLGSA-N -1 3 258.317 3.077 20 0 CGADHM Cc1ccc(C(=O)N[C@@H]2CCC[C@@H](C)C2)c([O-])c1C ZINC000048573272 392003547 /nfs/dbraw/zinc/00/35/47/392003547.db2.gz YCKASLGYJKYXAT-ZWNOBZJWSA-N -1 3 261.365 3.318 20 0 CGADHM Cc1ccc(F)c(S(=O)(=O)[N-][C@@H]2CCC[C@@H](C)[C@H]2C)c1 ZINC000032402591 391968379 /nfs/dbraw/zinc/96/83/79/391968379.db2.gz YWRHKIBANIVBKT-YRGRVCCFSA-N -1 3 299.411 3.237 20 0 CGADHM Cc1ccc(C(=O)[N-]c2nc(-c3ccccc3)ns2)o1 ZINC000048918842 392025857 /nfs/dbraw/zinc/02/58/57/392025857.db2.gz RWOLBMUDEUMDRC-UHFFFAOYSA-N -1 3 285.328 3.359 20 0 CGADHM O=C(CCc1cc(F)ccc1F)Nc1ccccc1[O-] ZINC000048911845 392025963 /nfs/dbraw/zinc/02/59/63/392025963.db2.gz NEFZMFNIFORYQB-UHFFFAOYSA-N -1 3 277.270 3.242 20 0 CGADHM O=C(N[C@@H]1CCc2c1cccc2Cl)c1ccccc1[O-] ZINC000049351479 392044779 /nfs/dbraw/zinc/04/47/79/392044779.db2.gz YUIONQKHXRVJCN-CQSZACIVSA-N -1 3 287.746 3.463 20 0 CGADHM COc1ccc([O-])c(C(=O)N[C@H](C)c2ccc(C)cc2)c1 ZINC000055463772 392099156 /nfs/dbraw/zinc/09/91/56/392099156.db2.gz JFPNSJLBEHUNPR-GFCCVEGCSA-N -1 3 285.343 3.200 20 0 CGADHM CC[C@H](NC(=O)c1ccccc1[O-])c1nc(C)cs1 ZINC000105381581 392288174 /nfs/dbraw/zinc/28/81/74/392288174.db2.gz UQNZJYYZOWDZNH-NSHDSACASA-N -1 3 276.361 3.038 20 0 CGADHM CCCc1nnc([N-]C(=O)c2cc(C(C)=O)cs2)s1 ZINC000106600236 392304515 /nfs/dbraw/zinc/30/45/15/392304515.db2.gz MEECHQLVKXZFQG-UHFFFAOYSA-N -1 3 295.389 3.007 20 0 CGADHM CCCO[C@@H]1CCCN(C(=O)c2ccc(C)cc2[O-])CC1 ZINC000108233317 392338617 /nfs/dbraw/zinc/33/86/17/392338617.db2.gz LCEVYCMTFHHORK-CQSZACIVSA-N -1 3 291.391 3.122 20 0 CGADHM O=c1[nH]c(Cc2ccc(Cl)cc2)nc2ccc([O-])cc12 ZINC000436926245 542659064 /nfs/dbraw/zinc/65/90/64/542659064.db2.gz LEOWBBCIKLAJJQ-UHFFFAOYSA-N -1 3 286.718 3.285 20 0 CGADHM COc1ccc(NC(=O)c2cc(F)cc(Cl)c2)c([O-])c1 ZINC000443562268 542667077 /nfs/dbraw/zinc/66/70/77/542667077.db2.gz UUNLUTLXLJPLNK-UHFFFAOYSA-N -1 3 295.697 3.446 20 0 CGADHM CCSc1ccc(-c2nc3ccc(O)cc3c(=O)[n-]2)cc1 ZINC000446158860 542669484 /nfs/dbraw/zinc/66/94/84/542669484.db2.gz WTPCYKFULODKMA-UHFFFAOYSA-N -1 3 298.367 3.408 20 0 CGADHM CC[C@](C)(CNC(=O)c1cc([O-])c2ccccc2c1)OC ZINC000452738778 542679052 /nfs/dbraw/zinc/67/90/52/542679052.db2.gz KVCIVXBHMZDAPN-QGZVFWFLSA-N -1 3 287.359 3.090 20 0 CGADHM CCc1cc(C(=O)NCc2ccc(COC)cc2)ccc1[O-] ZINC000291531873 392463184 /nfs/dbraw/zinc/46/31/84/392463184.db2.gz TYJJZGPGLQPPQW-UHFFFAOYSA-N -1 3 299.370 3.031 20 0 CGADHM C[C@@H](CN1CCCCC1)NCc1cccc([O-])c1Cl ZINC000294153980 392532616 /nfs/dbraw/zinc/53/26/16/392532616.db2.gz OYTDENHHGQDNAK-LBPRGKRZSA-N -1 3 282.815 3.010 20 0 CGADHM CCSc1cccc(CN2CCC(C)(C(=O)[O-])CC2)c1 ZINC000647464363 392729041 /nfs/dbraw/zinc/72/90/41/392729041.db2.gz LYAFYPKAKSVXIE-UHFFFAOYSA-N -1 3 293.432 3.485 20 0 CGADHM C[C@@H](C(=O)Nc1ccc(Cl)cc1[O-])C1CCC1 ZINC000457684586 392731434 /nfs/dbraw/zinc/73/14/34/392731434.db2.gz YYYUSIKMVOGALW-MRVPVSSYSA-N -1 3 253.729 3.420 20 0 CGADHM COc1cccc(C(=O)N2CC[C@@H](C3CCCC3)C2)c1[O-] ZINC000335020544 392763392 /nfs/dbraw/zinc/76/33/92/392763392.db2.gz FRZBARLDQNAVHJ-CYBMUJFWSA-N -1 3 289.375 3.053 20 0 CGADHM O=C(Nc1cc(C(F)(F)F)ccc1[O-])[C@H]1CC12CC2 ZINC000335018918 392763750 /nfs/dbraw/zinc/76/37/50/392763750.db2.gz WWLFEFMWNKOSNF-MRVPVSSYSA-N -1 3 271.238 3.150 20 0 CGADHM Cc1ccc([O-])c(CN[C@H]2CSc3ccccc32)n1 ZINC000334262559 392714561 /nfs/dbraw/zinc/71/45/61/392714561.db2.gz ZTLZFGSFQLGWRL-ZDUSSCGKSA-N -1 3 272.373 3.032 20 0 CGADHM [O-]c1ccc(F)c(CNCCc2cc(F)ccc2F)c1F ZINC000511508659 392837607 /nfs/dbraw/zinc/83/76/07/392837607.db2.gz YYLHHKLNEJFFSF-UHFFFAOYSA-N -1 3 299.267 3.281 20 0 CGADHM CC(C)C[C@@H]1C[C@H]1NC(=O)Cc1ccc([O-])cc1Cl ZINC000457986023 392810461 /nfs/dbraw/zinc/81/04/61/392810461.db2.gz FCXHJKJJUGPFEG-BXUZGUMPSA-N -1 3 281.783 3.139 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])[C@H]1CCCCCC(=O)C1 ZINC000519741188 392888789 /nfs/dbraw/zinc/88/87/89/392888789.db2.gz LFVZAYQSALJPAS-JTQLQIEISA-N -1 3 279.311 3.009 20 0 CGADHM CC1(C)CCCC[C@H]1C(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000194017678 392894672 /nfs/dbraw/zinc/89/46/72/392894672.db2.gz XMTOZGQRXQJYMG-JTQLQIEISA-N -1 3 288.351 3.220 20 0 CGADHM CC1(C)CCCC[C@H]1C(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000194017678 392894676 /nfs/dbraw/zinc/89/46/76/392894676.db2.gz XMTOZGQRXQJYMG-JTQLQIEISA-N -1 3 288.351 3.220 20 0 CGADHM CC1(C)CCCC[C@H]1C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000194017678 392894680 /nfs/dbraw/zinc/89/46/80/392894680.db2.gz XMTOZGQRXQJYMG-JTQLQIEISA-N -1 3 288.351 3.220 20 0 CGADHM CCc1cccc(C(=O)N2CCC(C)=C(C)C2)c1[O-] ZINC000519854941 392898584 /nfs/dbraw/zinc/89/85/84/392898584.db2.gz JLXLASLIWFSTMB-UHFFFAOYSA-N -1 3 259.349 3.137 20 0 CGADHM O=C([O-])CCC1CCN([C@@H]2CCc3ccc(F)cc32)CC1 ZINC000514866133 392858729 /nfs/dbraw/zinc/85/87/29/392858729.db2.gz ARSPOTMDJWKQNX-MRXNPFEDSA-N -1 3 291.366 3.390 20 0 CGADHM Cc1ccc(-c2nnc(NC(=O)C3=CC[C@H](C)CC3)[n-]2)o1 ZINC000412193249 392998410 /nfs/dbraw/zinc/99/84/10/392998410.db2.gz LPLSXZORUBMYEW-VIFPVBQESA-N -1 3 286.335 3.058 20 0 CGADHM Cc1ccc(-c2n[n-]c(NC(=O)C3=CC[C@H](C)CC3)n2)o1 ZINC000412193249 392998417 /nfs/dbraw/zinc/99/84/17/392998417.db2.gz LPLSXZORUBMYEW-VIFPVBQESA-N -1 3 286.335 3.058 20 0 CGADHM Cc1ccc(-c2nc(NC(=O)C3=CC[C@H](C)CC3)n[n-]2)o1 ZINC000412193249 392998424 /nfs/dbraw/zinc/99/84/24/392998424.db2.gz LPLSXZORUBMYEW-VIFPVBQESA-N -1 3 286.335 3.058 20 0 CGADHM CCc1occc1C(=O)N1CCCc2cccc([O-])c21 ZINC000234198184 393028713 /nfs/dbraw/zinc/02/87/13/393028713.db2.gz ZHYHZCWOFDJBBB-UHFFFAOYSA-N -1 3 271.316 3.141 20 0 CGADHM CC[C@H]1CCN(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000469263233 393184502 /nfs/dbraw/zinc/18/45/02/393184502.db2.gz PXYBMSMGYAQXEI-LBPRGKRZSA-N -1 3 279.355 3.113 20 0 CGADHM C[C@@H]1C[C@H](C)N(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000469379069 393188830 /nfs/dbraw/zinc/18/88/30/393188830.db2.gz MOWTYIWGXVLTKU-NEPJUHHUSA-N -1 3 279.355 3.111 20 0 CGADHM Cc1ncc(CNCc2ccc(C3CCC3)cc2)c(=O)[n-]1 ZINC000583706415 542767578 /nfs/dbraw/zinc/76/75/78/542767578.db2.gz CWCGABYKIILMHX-UHFFFAOYSA-N -1 3 283.375 3.048 20 0 CGADHM Cc1cnccc1C(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000274759777 393290053 /nfs/dbraw/zinc/29/00/53/393290053.db2.gz YJMNYPHAROZHCD-NSHDSACASA-N -1 3 282.343 3.250 20 0 CGADHM CN(C)c1ccc(C(=O)Nc2c([O-])cccc2Cl)cc1 ZINC000646489765 393292277 /nfs/dbraw/zinc/29/22/77/393292277.db2.gz VKFCAVPBBQAHPX-UHFFFAOYSA-N -1 3 290.750 3.364 20 0 CGADHM CCC(C)(C)[N-]S(=O)(=O)c1oc2ccc(F)cc2c1C ZINC000471692866 393293218 /nfs/dbraw/zinc/29/32/18/393293218.db2.gz MOYQJWHBTAKEQJ-UHFFFAOYSA-N -1 3 299.367 3.347 20 0 CGADHM Cc1cc2cc(CNCc3ncccc3[O-])oc2cc1C ZINC000355293037 393297288 /nfs/dbraw/zinc/29/72/88/393297288.db2.gz PXUUFMVIIYMKTL-UHFFFAOYSA-N -1 3 282.343 3.440 20 0 CGADHM Cc1ccc(C(=O)N2C[C@H](C)[C@@H](C)[C@@H]2C)c([O-])c1C ZINC000416324311 393300683 /nfs/dbraw/zinc/30/06/83/393300683.db2.gz WRAKMPGLYKIOAI-LOWVWBTDSA-N -1 3 261.365 3.126 20 0 CGADHM C[C@@H](CNC(=O)c1cc([O-])ccc1Cl)CC(F)F ZINC000648960842 393300731 /nfs/dbraw/zinc/30/07/31/393300731.db2.gz OTXOCAGDQNNRIE-SSDOTTSWSA-N -1 3 277.698 3.067 20 0 CGADHM CCC(CC)CN(CC)C(=O)c1ccc2[nH][n-]c(=O)c2c1 ZINC000646675894 393311172 /nfs/dbraw/zinc/31/11/72/393311172.db2.gz POTIVKYYYAJFJF-UHFFFAOYSA-N -1 3 289.379 3.167 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CC(C)(CC(F)F)C2)c1 ZINC000649016489 393320737 /nfs/dbraw/zinc/32/07/37/393320737.db2.gz GRARGVJNQVJGFZ-UHFFFAOYSA-N -1 3 283.318 3.072 20 0 CGADHM O=C(Nc1ncccc1[O-])[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000273029670 393269024 /nfs/dbraw/zinc/26/90/24/393269024.db2.gz DGXNVLZUAQOQCG-RKDXNWHRSA-N -1 3 288.269 3.094 20 0 CGADHM C[C@H]1[C@H](C(F)(F)F)CCN1Cc1cc([O-])cc(F)c1 ZINC000355227925 393271570 /nfs/dbraw/zinc/27/15/70/393271570.db2.gz WJKDODUWFBVWOH-QPUJVOFHSA-N -1 3 277.261 3.304 20 0 CGADHM CO[C@@H](CC(C)C)C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000416178023 393275657 /nfs/dbraw/zinc/27/56/57/393275657.db2.gz JWBAZMBYLKFYDT-LBPRGKRZSA-N -1 3 285.771 3.354 20 0 CGADHM CO[C@H](CC(C)C)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000416181552 393276730 /nfs/dbraw/zinc/27/67/30/393276730.db2.gz SHHCJGBJWUNPNP-GFCCVEGCSA-N -1 3 271.744 3.045 20 0 CGADHM CC(C)OCCCSCc1cc(=O)[n-]c(C2CC2)n1 ZINC000419584476 393407386 /nfs/dbraw/zinc/40/73/86/393407386.db2.gz IVQDPVXSUFTBOE-UHFFFAOYSA-N -1 3 282.409 3.108 20 0 CGADHM CC[C@@H](F)CSCc1cc(=O)[n-]c(C2CC2)n1 ZINC000419493954 393394166 /nfs/dbraw/zinc/39/41/66/393394166.db2.gz NNMCUZSLQMVVRW-SECBINFHSA-N -1 3 256.346 3.041 20 0 CGADHM Cc1cc[nH]c1C(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000281262290 393349649 /nfs/dbraw/zinc/34/96/49/393349649.db2.gz KNPGJWAXMKLOFL-SNVBAGLBSA-N -1 3 270.332 3.183 20 0 CGADHM CC[C@H]1CCC[C@@H]1C(=O)N=c1[nH][n-]c(C(C)C)c1C ZINC000649229263 393377625 /nfs/dbraw/zinc/37/76/25/393377625.db2.gz ULJGRZSSTCRGST-RYUDHWBXSA-N -1 3 263.385 3.028 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@H](C)c1ccccc1 ZINC000649229877 393377843 /nfs/dbraw/zinc/37/78/43/393377843.db2.gz QSSPSUSVLMXCSM-LLVKDONJSA-N -1 3 271.364 3.006 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)c1ccn(C(C)C)c1C ZINC000649229087 393377918 /nfs/dbraw/zinc/37/79/18/393377918.db2.gz MLGZAATZXNSBFL-UHFFFAOYSA-N -1 3 288.395 3.207 20 0 CGADHM O=C([O-])[C@@H](CNCc1c(F)cccc1Cl)CC1CC1 ZINC000649511301 393463555 /nfs/dbraw/zinc/46/35/55/393463555.db2.gz CTGPHQALSZSNDH-SNVBAGLBSA-N -1 3 285.746 3.070 20 0 CGADHM CC(C)=CC[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000429885734 393507413 /nfs/dbraw/zinc/50/74/13/393507413.db2.gz HVZIGLUYKTUKKD-UHFFFAOYSA-N -1 3 294.203 3.238 20 0 CGADHM CC[C@H](C)C[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000420708129 393517480 /nfs/dbraw/zinc/51/74/80/393517480.db2.gz OYMBIVXHGLNTIW-VIFPVBQESA-N -1 3 295.326 3.030 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CC3(CCC3)C[C@H]2C)c1 ZINC000432626129 393624190 /nfs/dbraw/zinc/62/41/90/393624190.db2.gz GKBPEMFSRUJDCZ-GFCCVEGCSA-N -1 3 273.376 3.359 20 0 CGADHM COC(=O)c1cnc(SC[C@@H]2CCC[C@H](C)C2)[n-]1 ZINC000432667285 393625845 /nfs/dbraw/zinc/62/58/45/393625845.db2.gz LQOUPVLORZRBJR-VHSXEESVSA-N -1 3 268.382 3.115 20 0 CGADHM Cc1cc(C)c(-c2cc(=NC(=O)C(C)(C)C)[nH][n-]2)cc1C ZINC000490085974 393631597 /nfs/dbraw/zinc/63/15/97/393631597.db2.gz COPOZYWBHGWMJC-UHFFFAOYSA-N -1 3 285.391 3.408 20 0 CGADHM [O-]c1cc(F)cc(CN2Cc3ccc(O)cc3C3(CC3)C2)c1 ZINC000361015300 393641987 /nfs/dbraw/zinc/64/19/87/393641987.db2.gz AZNGTNLWQLJAJI-UHFFFAOYSA-N -1 3 299.345 3.284 20 0 CGADHM COC(=O)c1[n-]c(=N[C@@H]2C[C@H]2C2CCCCC2)sc1C ZINC000432924807 393661001 /nfs/dbraw/zinc/66/10/01/393661001.db2.gz OBHAKFACTPHJAQ-NWDGAFQWSA-N -1 3 294.420 3.041 20 0 CGADHM Cc1ccc(Cl)c(NC(=O)/C=C\c2cncc([O-])c2)c1 ZINC000492520680 393748326 /nfs/dbraw/zinc/74/83/26/393748326.db2.gz NNECBVMGBJYUCL-HYXAFXHYSA-N -1 3 288.734 3.401 20 0 CGADHM Cc1ccc(-c2nnc(NC(=O)C3(CC(C)C)CC3)[n-]2)o1 ZINC000443312810 393750552 /nfs/dbraw/zinc/75/05/52/393750552.db2.gz NRISHUVKZWYNNP-UHFFFAOYSA-N -1 3 288.351 3.138 20 0 CGADHM Cc1ccc(-c2n[n-]c(NC(=O)C3(CC(C)C)CC3)n2)o1 ZINC000443312810 393750555 /nfs/dbraw/zinc/75/05/55/393750555.db2.gz NRISHUVKZWYNNP-UHFFFAOYSA-N -1 3 288.351 3.138 20 0 CGADHM Cc1ccc(-c2nc(NC(=O)C3(CC(C)C)CC3)n[n-]2)o1 ZINC000443312810 393750557 /nfs/dbraw/zinc/75/05/57/393750557.db2.gz NRISHUVKZWYNNP-UHFFFAOYSA-N -1 3 288.351 3.138 20 0 CGADHM CCCC1CCC(NC(=O)c2ccc([O-])c(OC)c2)CC1 ZINC000443335670 393753408 /nfs/dbraw/zinc/75/34/08/393753408.db2.gz PZMSZAVLSQXXGK-UHFFFAOYSA-N -1 3 291.391 3.490 20 0 CGADHM CC(C)[C@H](CC(F)(F)F)NC(=O)c1ccccc1[O-] ZINC000438628621 393728540 /nfs/dbraw/zinc/72/85/40/393728540.db2.gz VVDFPSPLNOOXJY-JTQLQIEISA-N -1 3 275.270 3.099 20 0 CGADHM CC(C)C[C@@H](C)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000443729060 393771335 /nfs/dbraw/zinc/77/13/35/393771335.db2.gz CMHVCKMFRFYRFM-SECBINFHSA-N -1 3 293.791 3.192 20 0 CGADHM CC(C)C[C@H]([N-]S(=O)(=O)c1ccco1)c1cccs1 ZINC000445712170 393818455 /nfs/dbraw/zinc/81/84/55/393818455.db2.gz PKZXESXUMYCXNQ-NSHDSACASA-N -1 3 299.417 3.407 20 0 CGADHM CCn1c(=O)[n-]nc1SCc1ccc(C)cc1Cl ZINC000446060543 393843624 /nfs/dbraw/zinc/84/36/24/393843624.db2.gz MRASEIDHFDTVJX-UHFFFAOYSA-N -1 3 283.784 3.258 20 0 CGADHM Cc1ccc([O-])c(CN2CC3(CCC3)[C@H]2c2ccco2)n1 ZINC000449636887 393931994 /nfs/dbraw/zinc/93/19/94/393931994.db2.gz XRIYFHLFNUCOGD-MRXNPFEDSA-N -1 3 284.359 3.416 20 0 CGADHM CC[C@@H]1CCCCCN1C(=O)Cc1ccc([O-])c(F)c1 ZINC000449968180 393952788 /nfs/dbraw/zinc/95/27/88/393952788.db2.gz NCPJXXOEBBKHLI-CYBMUJFWSA-N -1 3 279.355 3.255 20 0 CGADHM C[C@@H]1CC[C@H](NC(=O)Cc2ccc([O-])c(F)c2)C[C@H]1C ZINC000450580505 394023505 /nfs/dbraw/zinc/02/35/05/394023505.db2.gz CCOKXUOMVHCKAS-WZRBSPASSA-N -1 3 279.355 3.015 20 0 CGADHM CCSCC[C@H](C)N(C)C(=O)Cc1ccc([O-])c(F)c1 ZINC000450055609 393970253 /nfs/dbraw/zinc/97/02/53/393970253.db2.gz FMQBBGHRJZQHLM-NSHDSACASA-N -1 3 299.411 3.064 20 0 CGADHM CC(C)CC1(CNC(=O)Cc2ccc([O-])c(F)c2)CCC1 ZINC000450088812 393975108 /nfs/dbraw/zinc/97/51/08/393975108.db2.gz HFLAXVSNCWMSDD-UHFFFAOYSA-N -1 3 293.382 3.406 20 0 CGADHM Cc1c(Br)ccc([O-])c1NC(=O)C[C@H]1C[C@@H]1C ZINC000452747850 394111420 /nfs/dbraw/zinc/11/14/20/394111420.db2.gz JFTMIXJJQLSJAV-IONNQARKSA-N -1 3 298.180 3.448 20 0 CGADHM [O-]c1ccc(F)c(CNCCC2CC(F)(F)C2)c1F ZINC000453585250 394250445 /nfs/dbraw/zinc/25/04/45/394250445.db2.gz SDEAPTKVTJXLKA-UHFFFAOYSA-N -1 3 277.261 3.195 20 0 CGADHM C[C@H](CC(C)(C)C)NC(=O)c1c[n-]nc1-c1ccccn1 ZINC000457189675 394327035 /nfs/dbraw/zinc/32/70/35/394327035.db2.gz IIVOQAJCOKJLLM-LLVKDONJSA-N -1 3 286.379 3.026 20 0 CGADHM CC[C@]1(C(C)C)C[C@@H]1NC(=O)c1c[n-]c2ccccc2c1=O ZINC000457261690 394338139 /nfs/dbraw/zinc/33/81/39/394338139.db2.gz CZZYQFCJYSOEFR-MAUKXSAKSA-N -1 3 298.386 3.083 20 0 CGADHM CC(C)(C)C1CN(C(=O)c2cc3c(cc2[O-])CCCC3)C1 ZINC000457349065 394348604 /nfs/dbraw/zinc/34/86/04/394348604.db2.gz YRKCHJPFBFRIOP-UHFFFAOYSA-N -1 3 287.403 3.389 20 0 CGADHM Cc1ccc(C(=O)N2CCCC[C@@H]2C(F)F)c([O-])c1C ZINC000436506731 292051306 /nfs/dbraw/zinc/05/13/06/292051306.db2.gz CUGHEBYOGPHUFG-GFCCVEGCSA-N -1 3 283.318 3.269 20 0 CGADHM CC(C)(C)[C@@H](CC(=O)[O-])NCc1nc2c(s1)CCCC2 ZINC000669472196 543108392 /nfs/dbraw/zinc/10/83/92/543108392.db2.gz GVUIMXQXIIBVFL-GFCCVEGCSA-N -1 3 296.436 3.001 20 0 CGADHM Cc1cc2ccc(C(=O)Nc3ccc([O-])cc3F)cn2c1 ZINC000673060221 543232835 /nfs/dbraw/zinc/23/28/35/543232835.db2.gz HDWOLOFARNTVDJ-UHFFFAOYSA-N -1 3 284.290 3.345 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2cccc(C)c2O)c1 ZINC000674017506 543264205 /nfs/dbraw/zinc/26/42/05/543264205.db2.gz ITJNOFWAXKFBOW-UHFFFAOYSA-N -1 3 271.316 3.221 20 0 CGADHM C[C@@H]1CC[C@H](C(=O)[O-])N1Cc1ccccc1C(F)(F)F ZINC000650502971 397859980 /nfs/dbraw/zinc/85/99/80/397859980.db2.gz DCIPETWPAUGUOY-BXKDBHETSA-N -1 3 287.281 3.143 20 0 CGADHM Cc1ccc([O-])c(C(=O)NCC(C)(C)[C@H]2CCCCO2)c1 ZINC000675221394 543322059 /nfs/dbraw/zinc/32/20/59/543322059.db2.gz YMDSOTHVOGQNER-OAHLLOKOSA-N -1 3 291.391 3.026 20 0 CGADHM CSc1ccncc1[N-]C(=O)c1cc(F)c(F)cc1F ZINC000676575894 543405876 /nfs/dbraw/zinc/40/58/76/543405876.db2.gz CALOQNPZZWACMU-UHFFFAOYSA-N -1 3 298.289 3.473 20 0 CGADHM CCCN(CC(F)(F)F)C(=O)c1ccc(C)c(C)c1[O-] ZINC000678308480 543513615 /nfs/dbraw/zinc/51/36/15/543513615.db2.gz WPQFTIZNMAGDKF-UHFFFAOYSA-N -1 3 289.297 3.424 20 0 CGADHM CC(C)(CCNC(=O)c1c([O-])cccc1O)c1ccccc1 ZINC000678343667 543516504 /nfs/dbraw/zinc/51/65/04/543516504.db2.gz XZLHFYLGFRHXAG-UHFFFAOYSA-N -1 3 299.370 3.196 20 0 CGADHM CCc1cccc(C(=O)N[C@H](C)c2cnccc2C)c1[O-] ZINC000678418141 543523140 /nfs/dbraw/zinc/52/31/40/543523140.db2.gz WNYMJDNGOUZJJJ-GFCCVEGCSA-N -1 3 284.359 3.149 20 0 CGADHM O=C(Nc1ccc(C2CC2)cc1)c1c([O-])cccc1O ZINC000678580354 543537332 /nfs/dbraw/zinc/53/73/32/543537332.db2.gz SRPNENYHEFBLBF-UHFFFAOYSA-N -1 3 269.300 3.228 20 0 CGADHM Cc1ccc([C@@H](C)NC(=O)c2ccccc2[O-])cc1 ZINC000042353661 286893907 /nfs/dbraw/zinc/89/39/07/286893907.db2.gz XJDHYGQEOZPTPG-GFCCVEGCSA-N -1 3 255.317 3.192 20 0 CGADHM Cc1ccc(C(=O)NCCc2cccs2)c([O-])c1C ZINC000048369722 286904300 /nfs/dbraw/zinc/90/43/00/286904300.db2.gz AHLSTVOOKVXOIX-UHFFFAOYSA-N -1 3 275.373 3.043 20 0 CGADHM CC[C@H](C(=O)Nc1cccc([O-])c1F)c1c(C)noc1C ZINC000536462300 288481736 /nfs/dbraw/zinc/48/17/36/288481736.db2.gz DPPBPOPZMRHMGL-JTQLQIEISA-N -1 3 292.310 3.268 20 0 CGADHM Cc1ccc(C(=O)N(C)CCCc2ccccc2)c([O-])c1 ZINC000060673488 286955962 /nfs/dbraw/zinc/95/59/62/286955962.db2.gz SETQDHSCZKVYSA-UHFFFAOYSA-N -1 3 283.371 3.405 20 0 CGADHM COc1ccc(/C=C/C(=O)Nc2ccc([O-])cc2F)cc1 ZINC000070333090 286988248 /nfs/dbraw/zinc/98/82/48/286988248.db2.gz HNYYZLKZBXMRRP-RUDMXATFSA-N -1 3 287.290 3.192 20 0 CGADHM O=C([O-])[C@@H]1CCC[C@H](NCc2ccc(F)cc2Cl)C1 ZINC000070570967 286990005 /nfs/dbraw/zinc/99/00/05/286990005.db2.gz JHFRXWCMRLZFPM-SKDRFNHKSA-N -1 3 285.746 3.212 20 0 CGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000072703899 286998153 /nfs/dbraw/zinc/99/81/53/286998153.db2.gz COPCQNVMQNTQIW-SSDOTTSWSA-N -1 3 294.203 3.070 20 0 CGADHM CCCN(Cc1ccccc1)C(=O)c1cc(OC)ccc1[O-] ZINC000078242527 287046200 /nfs/dbraw/zinc/04/62/00/287046200.db2.gz FMABXPZXELURLR-UHFFFAOYSA-N -1 3 299.370 3.453 20 0 CGADHM Cn1cc(C(=O)Nc2ccccc2[O-])c2ccccc21 ZINC000082272272 287077984 /nfs/dbraw/zinc/07/79/84/287077984.db2.gz JHVYOBBZZCTNJM-UHFFFAOYSA-N -1 3 266.300 3.136 20 0 CGADHM O=C(Nc1ccc(-c2c[nH]cn2)cc1)c1cccc([O-])c1 ZINC000082282713 287078269 /nfs/dbraw/zinc/07/82/69/287078269.db2.gz OOCVXCQUHYDPGZ-UHFFFAOYSA-N -1 3 279.299 3.035 20 0 CGADHM C[C@@H](c1ccc(F)c(F)c1)N1CCC[C@H](CC(=O)[O-])C1 ZINC000086756851 287083863 /nfs/dbraw/zinc/08/38/63/287083863.db2.gz DQVBRDHZJGJHFF-WDEREUQCSA-N -1 3 283.318 3.213 20 0 CGADHM C[C@@H](c1ccccc1F)N(C)CC1(CC(=O)[O-])CC1 ZINC000088256151 287086214 /nfs/dbraw/zinc/08/62/14/287086214.db2.gz MHFBOQAVZKYCQM-NSHDSACASA-N -1 3 265.328 3.073 20 0 CGADHM O=C(Nc1ccccc1[O-])c1cc(-c2cccs2)[nH]n1 ZINC000071925216 165071350 /nfs/dbraw/zinc/07/13/50/165071350.db2.gz YTHXESUQUCYKLT-UHFFFAOYSA-N -1 3 285.328 3.096 20 0 CGADHM Cc1cccc(C(=O)N(C)[C@@H](C)c2ccco2)c1[O-] ZINC000078272038 165129153 /nfs/dbraw/zinc/12/91/53/165129153.db2.gz YEHPGSFERIOZTB-NSHDSACASA-N -1 3 259.305 3.127 20 0 CGADHM Cc1cc([N-]C(=O)[C@@H](C)Nc2cccc(Cl)c2C)on1 ZINC000078455925 165133868 /nfs/dbraw/zinc/13/38/68/165133868.db2.gz XGFQHXKQTMNANH-SNVBAGLBSA-N -1 3 293.754 3.384 20 0 CGADHM Cc1cccc(NCc2nc(C(F)(F)F)cc(=O)[n-]2)c1C ZINC000090370998 165230571 /nfs/dbraw/zinc/23/05/71/165230571.db2.gz WHDQRVUJQUHWCS-UHFFFAOYSA-N -1 3 297.280 3.018 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2C[C@@H](C)CC[C@H]2C)c1 ZINC000091989956 287110210 /nfs/dbraw/zinc/11/02/10/287110210.db2.gz FVTXUKUGMJEGRR-NWDGAFQWSA-N -1 3 261.365 3.215 20 0 CGADHM [O-]c1ccc(-c2noc(-c3ccc4c(c3)COC4)n2)cc1 ZINC000111306110 287134019 /nfs/dbraw/zinc/13/40/19/287134019.db2.gz UDYQXTOOEKGMQN-UHFFFAOYSA-N -1 3 280.283 3.139 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2cnc(C(C)(C)C)nc2)c1 ZINC000111157656 287133337 /nfs/dbraw/zinc/13/33/37/287133337.db2.gz ZQVKPDCRLYVQGQ-UHFFFAOYSA-N -1 3 299.374 3.294 20 0 CGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)[C@@H](C)[C@H](C)CC ZINC000181267902 165680260 /nfs/dbraw/zinc/68/02/60/165680260.db2.gz PYANKNBUXLIOHK-ZJUUUORDSA-N -1 3 296.367 3.034 20 0 CGADHM Cc1ccnc(-c2noc(-c3cccc(C)c3[O-])n2)c1 ZINC000111688637 287136311 /nfs/dbraw/zinc/13/63/11/287136311.db2.gz RJFCWXMMTDGJDB-UHFFFAOYSA-N -1 3 267.288 3.121 20 0 CGADHM O=C(Nc1ccc(Br)cc1[O-])C1=CCCC1 ZINC000123083174 287215710 /nfs/dbraw/zinc/21/57/10/287215710.db2.gz VNDDNPWMDIODLC-UHFFFAOYSA-N -1 3 282.137 3.204 20 0 CGADHM Cc1ccc(C(=O)N2CCc3cccc(F)c3C2)c([O-])c1C ZINC000124542701 287234513 /nfs/dbraw/zinc/23/45/13/287234513.db2.gz UVJPHNULAVGKDP-UHFFFAOYSA-N -1 3 299.345 3.347 20 0 CGADHM COc1ccc(CN(C(=O)c2ccccc2[O-])C2CC2)cc1 ZINC000126680038 287270698 /nfs/dbraw/zinc/27/06/98/287270698.db2.gz OAQWCHXKZQFKHQ-UHFFFAOYSA-N -1 3 297.354 3.206 20 0 CGADHM CCC[C@H](CC)NC(=O)Cc1ccc([O-])cc1Cl ZINC000126872375 287275592 /nfs/dbraw/zinc/27/55/92/287275592.db2.gz CRJWKPAMLICJFF-NSHDSACASA-N -1 3 269.772 3.283 20 0 CGADHM Cc1ccc(F)c(C(=O)Nc2cccc([O-])c2F)c1 ZINC000128168849 287304966 /nfs/dbraw/zinc/30/49/66/287304966.db2.gz MMEROMZSAVGWHU-UHFFFAOYSA-N -1 3 263.243 3.231 20 0 CGADHM Cc1cccc(C)c1NCC(=O)Nc1cccc([O-])c1F ZINC000129161591 287325644 /nfs/dbraw/zinc/32/56/44/287325644.db2.gz HLHAJVXRVRLSKZ-UHFFFAOYSA-N -1 3 288.322 3.199 20 0 CGADHM O=C(Nc1cccc([O-])c1F)c1ccc2c(c1)CCC2 ZINC000129234365 287327305 /nfs/dbraw/zinc/32/73/05/287327305.db2.gz OJTMRBIPBZGXEO-UHFFFAOYSA-N -1 3 271.291 3.272 20 0 CGADHM Cc1ccc(CN2CC[C@H](C(=O)[O-])[C@H](C)C2)c(Cl)c1 ZINC000311610509 416532020 /nfs/dbraw/zinc/53/20/20/416532020.db2.gz QFXBTDBIPICTAE-YPMHNXCESA-N -1 3 281.783 3.191 20 0 CGADHM CCC[C@@H](C)NCc1cccc([O-])c1Br ZINC000315012817 416537990 /nfs/dbraw/zinc/53/79/90/416537990.db2.gz KIKMMVQXQCJISW-SECBINFHSA-N -1 3 272.186 3.433 20 0 CGADHM Cc1cccc(C)c1OCC(=O)Nc1cccc([O-])c1F ZINC000129654588 287337061 /nfs/dbraw/zinc/33/70/61/287337061.db2.gz HEIHCFHXEYHOLG-UHFFFAOYSA-N -1 3 289.306 3.166 20 0 CGADHM O=C(Nc1ccc([O-])cc1F)c1ncoc1-c1ccccc1 ZINC000679920489 543667847 /nfs/dbraw/zinc/66/78/47/543667847.db2.gz UWTHYWQWUOFVJS-UHFFFAOYSA-N -1 3 298.273 3.439 20 0 CGADHM O=C([N-]c1cccc(F)c1F)c1coc(C2CC2)n1 ZINC000680835399 543737817 /nfs/dbraw/zinc/73/78/17/543737817.db2.gz AMXAIDGUZLXPSW-UHFFFAOYSA-N -1 3 264.231 3.083 20 0 CGADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCC[C@H]1C1CC1 ZINC000682491865 543848636 /nfs/dbraw/zinc/84/86/36/543848636.db2.gz QNVGKKBMNZFXTO-HNNXBMFYSA-N -1 3 291.366 3.255 20 0 CGADHM C[C@@H]1CCN(C(=O)CCCc2ccc([O-])c(F)c2)C[C@H]1F ZINC000682527464 543850795 /nfs/dbraw/zinc/85/07/95/543850795.db2.gz BYKPIJBAILBPNM-BXUZGUMPSA-N -1 3 297.345 3.061 20 0 CGADHM O=C(Nc1ccccc1[O-])C12CC(c3ccccc3)(C1)C2 ZINC000682870010 543875227 /nfs/dbraw/zinc/87/52/27/543875227.db2.gz LEXYPZZDPPJZAZ-UHFFFAOYSA-N -1 3 279.339 3.453 20 0 CGADHM O=C([N-]c1cnoc1)c1c(Cl)cc(F)cc1Cl ZINC000683311707 543908503 /nfs/dbraw/zinc/90/85/03/543908503.db2.gz HZFAZAKBZYTDQP-UHFFFAOYSA-N -1 3 275.066 3.373 20 0 CGADHM O=C([N-]c1cc(-c2ccccc2)on1)c1nccs1 ZINC000683554762 543924530 /nfs/dbraw/zinc/92/45/30/543924530.db2.gz MKJDVITZDGZREF-UHFFFAOYSA-N -1 3 271.301 3.050 20 0 CGADHM CCOc1cc(-c2noc([C@H]3CC34CCC4)n2)ccc1[O-] ZINC000683589645 543927550 /nfs/dbraw/zinc/92/75/50/543927550.db2.gz YOMPVEWLWNLVPE-LLVKDONJSA-N -1 3 286.331 3.499 20 0 CGADHM Cc1nc(C(=O)N2CCCc3cccc([O-])c32)sc1C ZINC000683631730 543930211 /nfs/dbraw/zinc/93/02/11/543930211.db2.gz WKCBKZNSNPYZEK-UHFFFAOYSA-N -1 3 288.372 3.059 20 0 CGADHM O=C([O-])[C@H](CC1CCCC1)NCc1ccc(F)cc1F ZINC000683173408 543901154 /nfs/dbraw/zinc/90/11/54/543901154.db2.gz LZJQLKZEHJLKKN-AWEZNQCLSA-N -1 3 283.318 3.088 20 0 CGADHM O=C([O-])c1cccc(CNC/C=C/c2ccc(F)cc2)c1 ZINC000683176115 543901564 /nfs/dbraw/zinc/90/15/64/543901564.db2.gz HISKXTSSEUCWGQ-DUXPYHPUSA-N -1 3 285.318 3.327 20 0 CGADHM c1c2ccccc2[nH]c1C[N-]c1nnc([C@@H]2CCCO2)o1 ZINC000683922876 543953278 /nfs/dbraw/zinc/95/32/78/543953278.db2.gz NQKVRVJDPBVEOA-ZDUSSCGKSA-N -1 3 284.319 3.015 20 0 CGADHM CCN(CCC(F)(F)F)C(=O)c1cc([O-])ccc1Cl ZINC000685677675 544094850 /nfs/dbraw/zinc/09/48/50/544094850.db2.gz FSNGCWFZWKFOEG-UHFFFAOYSA-N -1 3 295.688 3.460 20 0 CGADHM COCCc1ccccc1NC(=O)c1cc(C)ccc1[O-] ZINC000191704503 227132895 /nfs/dbraw/zinc/13/28/95/227132895.db2.gz UXLUHHGSEMUTIH-UHFFFAOYSA-N -1 3 285.343 3.142 20 0 CGADHM Cc1oc([C@@H](C)N2CCC(C)(C)C2)cc1C(=O)[O-] ZINC000652412298 418965454 /nfs/dbraw/zinc/96/54/54/418965454.db2.gz HTFHPROHOHPGHS-SECBINFHSA-N -1 3 251.326 3.079 20 0 CGADHM C[C@@H]1CCC[C@H](C)N1Cc1ccc(C(=O)[O-])cc1F ZINC000652367013 418958537 /nfs/dbraw/zinc/95/85/37/418958537.db2.gz CYJOGZDZNVTPEN-PHIMTYICSA-N -1 3 265.328 3.287 20 0 CGADHM CCc1oc(C(=O)[O-])cc1CN(C)CCC(C)(C)C ZINC000652416740 418964072 /nfs/dbraw/zinc/96/40/72/418964072.db2.gz ARSJWYWZMHFLOL-UHFFFAOYSA-N -1 3 267.369 3.408 20 0 CGADHM CCO[C@H](CC)c1noc(-c2ccc(CC)cc2[O-])n1 ZINC000665042096 419044135 /nfs/dbraw/zinc/04/41/35/419044135.db2.gz LJGYKFLXWYIVIY-CYBMUJFWSA-N -1 3 276.336 3.492 20 0 CGADHM CC[C@@H]1CN(C(=O)c2ccc(C(C)C)cc2[O-])[C@H](C)CO1 ZINC000652771485 418991587 /nfs/dbraw/zinc/99/15/87/418991587.db2.gz APPOXYWVGQVQOZ-TZMCWYRMSA-N -1 3 291.391 3.155 20 0 CGADHM C[C@@H]1CC[C@H](C(=O)[O-])[C@H](C)N1Cc1cc(F)cc(F)c1 ZINC000659797583 418993814 /nfs/dbraw/zinc/99/38/14/418993814.db2.gz NILRENLOZMQOGQ-BFVZDQMLSA-N -1 3 283.318 3.038 20 0 CGADHM CC(=O)c1ccc(C(=O)N[C@@H]2C[C@H]2CC(C)(C)C)cc1[O-] ZINC000653039040 419012827 /nfs/dbraw/zinc/01/28/27/419012827.db2.gz WJWAIBCADSPFFY-GXTWGEPZSA-N -1 3 289.375 3.149 20 0 CGADHM C[C@H](Cc1ccccn1)NCc1cccc([O-])c1Cl ZINC000655843771 419116064 /nfs/dbraw/zinc/11/60/64/419116064.db2.gz VTHMCOAPHAMJKB-LLVKDONJSA-N -1 3 276.767 3.161 20 0 CGADHM Cc1cc(S(=O)(=O)[N-]C2(C)CC=CC2)sc1Cl ZINC000655629624 419061355 /nfs/dbraw/zinc/06/13/55/419061355.db2.gz VNCUZBZIPQYKKO-UHFFFAOYSA-N -1 3 291.825 3.097 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-]CC(F)(F)C(C)(C)C)s1 ZINC000660106377 419077953 /nfs/dbraw/zinc/07/79/53/419077953.db2.gz BWJCPHLCCSGXMC-UHFFFAOYSA-N -1 3 297.392 3.016 20 0 CGADHM CN(C(=O)c1ccc2[nH][n-]c(=O)c2c1)C1CCCCCC1 ZINC000665928615 419172642 /nfs/dbraw/zinc/17/26/42/419172642.db2.gz AUPHXKVOBXEXED-UHFFFAOYSA-N -1 3 287.363 3.063 20 0 CGADHM CCC1(CC)CCCN(Cc2ccc(C(=O)[O-])o2)C1 ZINC000656763275 419212189 /nfs/dbraw/zinc/21/21/89/419212189.db2.gz MCOZOWOFXFURSC-UHFFFAOYSA-N -1 3 265.353 3.380 20 0 CGADHM Cc1cc([C@@H](C)N2CCC[C@@H](CCF)C2)oc1C(=O)[O-] ZINC000656762977 419212337 /nfs/dbraw/zinc/21/23/37/419212337.db2.gz JIKFBXSNYCTYFC-NEPJUHHUSA-N -1 3 283.343 3.419 20 0 CGADHM CC[C@@H](C)N(CC)Cc1nc(=O)c2sccc2[n-]1 ZINC000661106962 419230540 /nfs/dbraw/zinc/23/05/40/419230540.db2.gz KAVNVXMYZWVEBQ-SECBINFHSA-N -1 3 265.382 3.017 20 0 CGADHM CCOCCC1(CNC(=O)c2cccc([O-])c2)CCCC1 ZINC000182613079 287542759 /nfs/dbraw/zinc/54/27/59/287542759.db2.gz RZFJNLBZADIECT-UHFFFAOYSA-N -1 3 291.391 3.109 20 0 CGADHM O=C(c1cc([O-])ccc1C(F)(F)F)N1CCCCCC1 ZINC000276603384 304499676 /nfs/dbraw/zinc/49/96/76/304499676.db2.gz LXBXJTMPEYLCCQ-UHFFFAOYSA-N -1 3 287.281 3.427 20 0 CGADHM CC[C@H](COc1ccc2c([O-])coc2c1)CC(F)F ZINC000664137250 419837665 /nfs/dbraw/zinc/83/76/65/419837665.db2.gz ZBCKNBXCSVQNKP-VIFPVBQESA-N -1 3 270.275 3.322 20 0 CGADHM Cc1cc(C(=O)NC[C@H]2CCCC[C@H]2C)ccc1[O-] ZINC000227022524 287636816 /nfs/dbraw/zinc/63/68/16/287636816.db2.gz SOOOPBAEOIVLMI-BXUZGUMPSA-N -1 3 261.365 3.257 20 0 CGADHM Cc1cc(S(=O)(=O)[N-]c2c(C)cccc2F)ccc1F ZINC000180744458 260109972 /nfs/dbraw/zinc/10/99/72/260109972.db2.gz IKKQIGQERSUNKX-UHFFFAOYSA-N -1 3 297.326 3.382 20 0 CGADHM CC(C)(C)CCN=c1[n-]cc(C(F)(F)F)s1 ZINC000390369995 262184436 /nfs/dbraw/zinc/18/44/36/262184436.db2.gz VKZJLBYIESPJBH-UHFFFAOYSA-N -1 3 252.305 3.432 20 0 CGADHM CC(C)c1ccc(CNC(=O)c2cccc([O-])c2)cc1 ZINC000045047166 270037623 /nfs/dbraw/zinc/03/76/23/270037623.db2.gz BTUIYSJZZOPJLP-UHFFFAOYSA-N -1 3 269.344 3.446 20 0 CGADHM Cc1cc([C@H](C)NC(=O)c2cccc(C)c2[O-])c(C)o1 ZINC000044731490 270037667 /nfs/dbraw/zinc/03/76/67/270037667.db2.gz SZPHHKRHKUOLPZ-NSHDSACASA-N -1 3 273.332 3.401 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CCc3ccccc3[C@H]2C)c1 ZINC000106682693 270049291 /nfs/dbraw/zinc/04/92/91/270049291.db2.gz WXBRFRVMCZCKFQ-CYBMUJFWSA-N -1 3 281.355 3.460 20 0 CGADHM Cc1cc(C)cc(C[C@H](C)NC(=O)c2cccc([O-])c2)c1 ZINC000182516692 270054050 /nfs/dbraw/zinc/05/40/50/270054050.db2.gz XNQGOMZFYCMXFM-AWEZNQCLSA-N -1 3 283.371 3.370 20 0 CGADHM O=C1c2ccccc2N[C@@H](c2cc([O-])cc(F)c2)N1C1CC1 ZINC000184592365 270059248 /nfs/dbraw/zinc/05/92/48/270059248.db2.gz XVSIUQOXTXGYPW-MRXNPFEDSA-N -1 3 298.317 3.260 20 0 CGADHM O=C1c2ccccc2N[C@H](c2cc([O-])cc(F)c2)N1C1CC1 ZINC000184592379 270059264 /nfs/dbraw/zinc/05/92/64/270059264.db2.gz XVSIUQOXTXGYPW-INIZCTEOSA-N -1 3 298.317 3.260 20 0 CGADHM CC(=O)c1cc(C(=O)Nc2ccccc2[O-])ccc1C ZINC000193883749 270080421 /nfs/dbraw/zinc/08/04/21/270080421.db2.gz HADZYQTUCHGQKO-UHFFFAOYSA-N -1 3 269.300 3.156 20 0 CGADHM Cc1ccc(C(=O)Nc2nnc(CC(C)C)s2)c([O-])c1 ZINC000219992259 270085686 /nfs/dbraw/zinc/08/56/86/270085686.db2.gz WZPKRNUNTULDDQ-UHFFFAOYSA-N -1 3 291.376 3.003 20 0 CGADHM COc1cc(-c2noc(-c3cccc(C)c3[O-])n2)ccc1O ZINC000316011115 270092845 /nfs/dbraw/zinc/09/28/45/270092845.db2.gz KDVZHHNCQQZUSI-UHFFFAOYSA-N -1 3 298.298 3.132 20 0 CGADHM CC[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1)C(C)(C)C ZINC000521557742 270102504 /nfs/dbraw/zinc/10/25/04/270102504.db2.gz VORQUMJFNKLLGE-LBPRGKRZSA-N -1 3 291.363 3.068 20 0 CGADHM Cc1nc(C(=O)Nc2c([O-])cccc2Cl)c(C)s1 ZINC000522021784 270103890 /nfs/dbraw/zinc/10/38/90/270103890.db2.gz HBCMGGOIRHXBOF-UHFFFAOYSA-N -1 3 282.752 3.371 20 0 CGADHM CCCC[C@H](CCC)NC(=O)c1cccc2nn[n-]c21 ZINC000527107429 270125524 /nfs/dbraw/zinc/12/55/24/270125524.db2.gz SSNZFOWQEWSENY-NSHDSACASA-N -1 3 274.368 3.047 20 0 CGADHM CCCC[C@H](CCC)NC(=O)c1cccc2[n-]nnc21 ZINC000527107429 270125525 /nfs/dbraw/zinc/12/55/25/270125525.db2.gz SSNZFOWQEWSENY-NSHDSACASA-N -1 3 274.368 3.047 20 0 CGADHM CCCC[C@H](CCC)NC(=O)c1cccc2n[n-]nc21 ZINC000527107429 270125526 /nfs/dbraw/zinc/12/55/26/270125526.db2.gz SSNZFOWQEWSENY-NSHDSACASA-N -1 3 274.368 3.047 20 0 CGADHM [O-]c1ccc(-c2noc([C@@H]3CCCC34CC4)n2)cc1 ZINC000528154218 270156094 /nfs/dbraw/zinc/15/60/94/270156094.db2.gz FITJSUYFZUSPMR-LBPRGKRZSA-N -1 3 256.305 3.490 20 0 CGADHM CC(C)CO[N-]C(=O)[C@H]1CC[C@@H]1c1ccc(F)cc1 ZINC000528878083 270175149 /nfs/dbraw/zinc/17/51/49/270175149.db2.gz FTQFARZREGCBBW-KGLIPLIRSA-N -1 3 265.328 3.023 20 0 CGADHM C[C@H](CC(=O)N1CCCc2cccc([O-])c21)c1ccco1 ZINC000528938746 270176087 /nfs/dbraw/zinc/17/60/87/270176087.db2.gz QKYUXORNFYSBEZ-GFCCVEGCSA-N -1 3 285.343 3.458 20 0 CGADHM O=C([C@H]1CCCC12CC2)N1CCCc2cccc([O-])c21 ZINC000528937538 270176109 /nfs/dbraw/zinc/17/61/09/270176109.db2.gz IRRUJKOONUMTOL-CYBMUJFWSA-N -1 3 271.360 3.252 20 0 CGADHM Cc1cccc([O-])c1NC(=O)[C@@H]1CC(C)(C)OC1(C)C ZINC000528951926 270176256 /nfs/dbraw/zinc/17/62/56/270176256.db2.gz XBPSNTWQLKLEBQ-NSHDSACASA-N -1 3 277.364 3.233 20 0 CGADHM O=C([O-])c1ccc(F)c2c1CN(CCCCCF)CC2 ZINC000530168065 270195415 /nfs/dbraw/zinc/19/54/15/270195415.db2.gz KHCOSFKTIXGPGQ-UHFFFAOYSA-N -1 3 283.318 3.022 20 0 CGADHM O=C([O-])[C@@H]1c2ccoc2CCN1C[C@@H]1C[C@H]1c1ccccc1 ZINC000530165890 270195449 /nfs/dbraw/zinc/19/54/49/270195449.db2.gz JARKQHGQYJDZSO-QRTARXTBSA-N -1 3 297.354 3.067 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)[C@]23C[C@H]2CCC3)c1-c1ccc(F)cc1 ZINC000530277802 270198141 /nfs/dbraw/zinc/19/81/41/270198141.db2.gz YAFXBBJKAMFWHT-SJKOYZFVSA-N -1 3 299.349 3.075 20 0 CGADHM CCc1cccc(C(=O)Nc2ccc3n[nH]cc3c2)c1[O-] ZINC000531355757 270206028 /nfs/dbraw/zinc/20/60/28/270206028.db2.gz HEWWSPQCZYBHNL-UHFFFAOYSA-N -1 3 281.315 3.083 20 0 CGADHM CC[C@]1(C)C[C@H]1C(=O)N=c1[nH][n-]c(C)c1-c1ccccc1 ZINC000532072090 270213214 /nfs/dbraw/zinc/21/32/14/270213214.db2.gz CAFJPVUBVNRQSL-SUMWQHHRSA-N -1 3 283.375 3.182 20 0 CGADHM CC(C)Oc1ccccc1CN1CCC[C@H](CC(=O)[O-])C1 ZINC000533203057 270222218 /nfs/dbraw/zinc/22/22/18/270222218.db2.gz HENZOJULKCSJFF-CQSZACIVSA-N -1 3 291.391 3.161 20 0 CGADHM COC[C@H](C)[C@H](C)C(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000487206208 277259474 /nfs/dbraw/zinc/25/94/74/277259474.db2.gz ZKZNPJIJNRYSFG-AGIUHOORSA-N -1 3 291.391 3.151 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CCC[C@@H]2CC(C)C)c1 ZINC000396768992 288016126 /nfs/dbraw/zinc/01/61/26/288016126.db2.gz CKFQWZSUYDGRNR-CYBMUJFWSA-N -1 3 261.365 3.351 20 0 CGADHM Cc1c([N-]C(=O)c2cnsn2)onc1C1CCCCC1 ZINC000297822701 278606680 /nfs/dbraw/zinc/60/66/80/278606680.db2.gz QBPJCOOVPFWXBY-UHFFFAOYSA-N -1 3 292.364 3.135 20 0 CGADHM Cc1cccc(C(=O)N[C@@H]2CSc3ccccc32)c1[O-] ZINC000436525603 278912262 /nfs/dbraw/zinc/91/22/62/278912262.db2.gz BOBAKZYZVNTFAB-CYBMUJFWSA-N -1 3 285.368 3.277 20 0 CGADHM CCN1CCN(C(=O)c2ccc([O-])c(C)c2)c2ccccc21 ZINC000436939528 279349455 /nfs/dbraw/zinc/34/94/55/279349455.db2.gz OQKQFQLNAOSYFP-UHFFFAOYSA-N -1 3 296.370 3.187 20 0 CGADHM CCCCOc1ccc(C(=O)N2[C@@H](C)C[C@@H]2C)c([O-])c1 ZINC000526959550 288153610 /nfs/dbraw/zinc/15/36/10/288153610.db2.gz PTSQCJHRXNMPCS-RYUDHWBXSA-N -1 3 277.364 3.194 20 0 CGADHM C[C@H]1CCc2c(sc3[n-]c(-c4ccccn4)nc(=O)c23)C1 ZINC000020369413 279768579 /nfs/dbraw/zinc/76/85/79/279768579.db2.gz GWBJYSUPVNNBLV-VIFPVBQESA-N -1 3 297.383 3.171 20 0 CGADHM COc1c(C)cc(Cl)cc1NC([O-])=NOC(C)C ZINC000529238850 288241845 /nfs/dbraw/zinc/24/18/45/288241845.db2.gz SJHVOKCSQMRUEM-UHFFFAOYSA-N -1 3 272.732 3.119 20 0 CGADHM COc1c(C)cc(Cl)cc1NC(=O)[N-]OC(C)C ZINC000529238850 288241847 /nfs/dbraw/zinc/24/18/47/288241847.db2.gz SJHVOKCSQMRUEM-UHFFFAOYSA-N -1 3 272.732 3.119 20 0 CGADHM CCc1c(C)nc2ccccc2c1N1CC[C@@H](C(=O)[O-])C1 ZINC000263488762 281368546 /nfs/dbraw/zinc/36/85/46/281368546.db2.gz IAWKTZWUZPXUHX-GFCCVEGCSA-N -1 3 284.359 3.017 20 0 CGADHM CCc1cc(C(=O)N2C[C@H](C)Oc3ccccc32)ccc1[O-] ZINC000486275330 281380379 /nfs/dbraw/zinc/38/03/79/281380379.db2.gz YTLJJZLFEDRCDZ-LBPRGKRZSA-N -1 3 297.354 3.382 20 0 CGADHM Cc1cc(C(=O)N(CCC(C)C)CCC(C)C)[n-]c(=O)n1 ZINC000532156642 288352306 /nfs/dbraw/zinc/35/23/06/288352306.db2.gz VSVKQAMNLDHAQQ-UHFFFAOYSA-N -1 3 293.411 3.025 20 0 CGADHM CC[C@@H]1C[C@@H](CC(=O)Nc2cccc([O-])c2F)CCO1 ZINC000541993619 288730402 /nfs/dbraw/zinc/73/04/02/288730402.db2.gz MOPKGSSGGSCQOA-WDEREUQCSA-N -1 3 281.327 3.065 20 0 CGADHM CC(C)(C)[C@@H]1CCN(C(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000542414174 288750703 /nfs/dbraw/zinc/75/07/03/288750703.db2.gz USNPGCCRKQYGTH-GFCCVEGCSA-N -1 3 294.370 3.109 20 0 CGADHM O=C(N[C@@H](c1ccccc1)C1CCC1)c1csc(=O)[n-]1 ZINC000546016122 288913210 /nfs/dbraw/zinc/91/32/10/288913210.db2.gz VLDGYFRTLRUOIF-ZDUSSCGKSA-N -1 3 288.372 3.120 20 0 CGADHM CC(C)C(C)(C)[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000550210949 289069843 /nfs/dbraw/zinc/06/98/43/289069843.db2.gz COTHOTIINOZQMK-UHFFFAOYSA-N -1 3 293.791 3.192 20 0 CGADHM C[C@@H](CCC(=O)N=c1cc2ccccn2[n-]1)c1ccccc1 ZINC000552986163 289204625 /nfs/dbraw/zinc/20/46/25/289204625.db2.gz NRIYVPBFKMSSHT-AWEZNQCLSA-N -1 3 293.370 3.279 20 0 CGADHM CC[C@H](CC1CCCC1)C(=O)N=c1cc2ccccn2[n-]1 ZINC000557527744 289444820 /nfs/dbraw/zinc/44/48/20/289444820.db2.gz SQMPRNQNJWZHEO-CQSZACIVSA-N -1 3 285.391 3.301 20 0 CGADHM CC(C)(CC(=O)Nc1cccc([O-])c1F)C1CC1 ZINC000560343283 289584823 /nfs/dbraw/zinc/58/48/23/289584823.db2.gz BKYGWRUCRQMKMV-UHFFFAOYSA-N -1 3 251.301 3.296 20 0 CGADHM O=C(CCc1ccncc1)Nc1c([O-])cccc1Cl ZINC000560820567 289617094 /nfs/dbraw/zinc/61/70/94/289617094.db2.gz YDYADGYLGMPHIS-UHFFFAOYSA-N -1 3 276.723 3.012 20 0 CGADHM C[C@H]1CN(C(=O)c2c[n-]c3ccccc3c2=O)C(C)(C)C1 ZINC000266953674 300206023 /nfs/dbraw/zinc/20/60/23/300206023.db2.gz VKPISJOHRSCMBJ-LLVKDONJSA-N -1 3 284.359 3.201 20 0 CGADHM Cc1cc(C(=O)N2CC[C@]3(CC[C@H](C)C3)C2)ccc1[O-] ZINC000436722723 301117038 /nfs/dbraw/zinc/11/70/38/301117038.db2.gz OXTVZVLPJYTFQS-SJCJKPOMSA-N -1 3 273.376 3.353 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)N2CC3(CCC3)[C@@H]2c2ccco2)n1 ZINC000451853499 301372441 /nfs/dbraw/zinc/37/24/41/301372441.db2.gz LOYNQEVCYZAVEF-DOMZBBRYSA-N -1 3 299.374 3.372 20 0 CGADHM O=C([N-]O[C@H]1CCCCO1)c1c(Cl)cccc1Cl ZINC000081623249 303818001 /nfs/dbraw/zinc/81/80/01/303818001.db2.gz NAKSHXWLEUPXQR-JTQLQIEISA-N -1 3 290.146 3.181 20 0 CGADHM C[C@@H](CF)NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436738536 533702570 /nfs/dbraw/zinc/70/25/70/533702570.db2.gz LYNFSTXJYCYTEZ-LBPRGKRZSA-N -1 3 287.334 3.071 20 0 CGADHM CC(C)(C(=O)NCc1ccc([O-])c(F)c1)c1ccccc1 ZINC000152991945 321711430 /nfs/dbraw/zinc/71/14/30/321711430.db2.gz ODZRVMMHPKUIKK-UHFFFAOYSA-N -1 3 287.334 3.125 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-][C@H]2C[C@H](C)C[C@H](C)C2)c(F)c1 ZINC000404877222 321971284 /nfs/dbraw/zinc/97/12/84/321971284.db2.gz KTFAVPDEXLIHPD-ITGUQSILSA-N -1 3 299.411 3.237 20 0 CGADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)C1(CF)CCC1 ZINC000563888970 322014308 /nfs/dbraw/zinc/01/43/08/322014308.db2.gz ITJVTWDCWBBSDE-UHFFFAOYSA-N -1 3 291.244 3.489 20 0 CGADHM C[C@@H](c1cccc(Cl)c1)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000563886748 322014245 /nfs/dbraw/zinc/01/42/45/322014245.db2.gz XTCUETPCXKZNFB-SUNKGSAMSA-N -1 3 281.783 3.444 20 0 CGADHM O=C([O-])c1cnccc1N1CCC[C@H]1c1cccs1 ZINC000564659472 322038068 /nfs/dbraw/zinc/03/80/68/322038068.db2.gz XJWHNYPRWURBEC-LBPRGKRZSA-N -1 3 274.345 3.183 20 0 CGADHM CCN(CCc1ccccc1)Cc1cc(C(=O)[O-])c(C)o1 ZINC000565101525 322060080 /nfs/dbraw/zinc/06/00/80/322060080.db2.gz NMAZVBDRVSLZIX-UHFFFAOYSA-N -1 3 287.359 3.351 20 0 CGADHM Cc1oc(C(=O)[O-])cc1CN1CCS[C@@H]2CCCC[C@H]21 ZINC000565103351 322060673 /nfs/dbraw/zinc/06/06/73/322060673.db2.gz FGVUSUOTGOAFLM-TZMCWYRMSA-N -1 3 295.404 3.146 20 0 CGADHM Cc1cc([C@@H](C)N2CC(C)(C)C[C@H]2C)oc1C(=O)[O-] ZINC000565601557 322083544 /nfs/dbraw/zinc/08/35/44/322083544.db2.gz YTEWRKWSDHOYBH-GHMZBOCLSA-N -1 3 265.353 3.468 20 0 CGADHM [O-]c1ccc(-c2noc([C@@H]3C[C@H]3C3CCC3)n2)cc1 ZINC000565719452 322088269 /nfs/dbraw/zinc/08/82/69/322088269.db2.gz KCVCRUYOPVSTKL-QWHCGFSZSA-N -1 3 256.305 3.346 20 0 CGADHM CC(C)Oc1ccccc1CN1C[C@@H](C(=O)[O-])CC[C@H]1C ZINC000566222148 322110047 /nfs/dbraw/zinc/11/00/47/322110047.db2.gz YJARUZXWULKSRL-HIFRSBDPSA-N -1 3 291.391 3.159 20 0 CGADHM CCN(Cc1ccc(Cl)s1)CC1(CC(=O)[O-])CC1 ZINC000566358091 322117697 /nfs/dbraw/zinc/11/76/97/322117697.db2.gz DDNLQIUIFGBOIQ-UHFFFAOYSA-N -1 3 287.812 3.478 20 0 CGADHM CC[C@@H](C)[C@@H](C)N(Cc1nc(C(=O)[O-])cs1)C1CC1 ZINC000566567086 322129618 /nfs/dbraw/zinc/12/96/18/322129618.db2.gz KAHJVXSNIYEBGD-NXEZZACHSA-N -1 3 282.409 3.240 20 0 CGADHM CC(C)CC1(C)CCN(C(=O)Cc2cncc([O-])c2)CC1 ZINC000566629443 322132365 /nfs/dbraw/zinc/13/23/65/322132365.db2.gz AQJWJWIRLVWBAZ-UHFFFAOYSA-N -1 3 290.407 3.005 20 0 CGADHM Cc1ccc(C=Cc2nc(-c3ccc4n[n-]nc4c3)no2)o1 ZINC000566831851 322139526 /nfs/dbraw/zinc/13/95/26/322139526.db2.gz CNPIPGTUFAHIDY-ALCCZGGFSA-N -1 3 293.286 3.080 20 0 CGADHM O=C([O-])c1ccc(CN2CCS[C@@H]3CCCC[C@@H]32)s1 ZINC000568067326 322191542 /nfs/dbraw/zinc/19/15/42/322191542.db2.gz RPKSJLYAALQBTQ-NWDGAFQWSA-N -1 3 297.445 3.306 20 0 CGADHM O=C([O-])CCN(Cc1ccc(F)c(F)c1)[C@@H]1C=CCCC1 ZINC000568066973 322191654 /nfs/dbraw/zinc/19/16/54/322191654.db2.gz IWLHVTNHCZQVFE-CYBMUJFWSA-N -1 3 295.329 3.350 20 0 CGADHM C[C@H](NC(=O)c1csc(=O)[n-]1)c1cccc(C2CC2)c1 ZINC000568593840 322214909 /nfs/dbraw/zinc/21/49/09/322214909.db2.gz WCGXOJRBLUONDV-VIFPVBQESA-N -1 3 288.372 3.217 20 0 CGADHM Cc1ccc(C2CC2)c(C(=O)Nc2ncccc2[O-])c1 ZINC000568621952 322215987 /nfs/dbraw/zinc/21/59/87/322215987.db2.gz NCDUUYGQYNNKLU-UHFFFAOYSA-N -1 3 268.316 3.225 20 0 CGADHM Cc1cccc(CN(CC(=O)[O-])Cc2ccc(F)cc2)c1 ZINC000569267123 322241500 /nfs/dbraw/zinc/24/15/00/322241500.db2.gz VSNVRULNXVWJDG-UHFFFAOYSA-N -1 3 287.334 3.221 20 0 CGADHM COc1ccc(Cl)c(CN2C[C@@H](C(=O)[O-])CC[C@H]2C)c1 ZINC000569814454 322257694 /nfs/dbraw/zinc/25/76/94/322257694.db2.gz XNZPNRMPHWOAMV-MNOVXSKESA-N -1 3 297.782 3.034 20 0 CGADHM C[C@H](CN(Cc1ccc(Cl)s1)C1CC1)C(=O)[O-] ZINC000570456637 322273992 /nfs/dbraw/zinc/27/39/92/322273992.db2.gz HNXOAYFSHRBBIF-MRVPVSSYSA-N -1 3 273.785 3.087 20 0 CGADHM CCC[C@H](CC(C)C)c1nc(-c2cc(=O)[n-]cn2)no1 ZINC000571799164 322308113 /nfs/dbraw/zinc/30/81/13/322308113.db2.gz BNXCBMXETPFQBY-SNVBAGLBSA-N -1 3 276.340 3.162 20 0 CGADHM C[C@H](c1ccc(C(=O)[O-])o1)N1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000571941373 322313157 /nfs/dbraw/zinc/31/31/57/322313157.db2.gz GZCODPQVZVISCK-DYLAAIIWSA-N -1 3 285.290 3.016 20 0 CGADHM Cc1cccc(Cl)c1CN(CC(=O)[O-])C1CCC1 ZINC000572137040 322322007 /nfs/dbraw/zinc/32/20/07/322322007.db2.gz VEJNGFNUUYXEHT-UHFFFAOYSA-N -1 3 267.756 3.088 20 0 CGADHM O=C([O-])[C@H]1C[C@H](NCc2cc(Cl)sc2Cl)C1 ZINC000573220780 322377193 /nfs/dbraw/zinc/37/71/93/322377193.db2.gz MNNBYCUDXMBWGY-KBTIHESUSA-N -1 3 280.176 3.008 20 0 CGADHM [O-]c1cccnc1CN1CCC[C@@H]1/C=C\c1ccccc1 ZINC000573366132 322384619 /nfs/dbraw/zinc/38/46/19/322384619.db2.gz FSLBPPYQAMAHQN-BLIJAFNYSA-N -1 3 280.371 3.465 20 0 CGADHM CCc1cccc(C(=O)N2CC3(CCC3)[C@@H]2C2CC2)c1[O-] ZINC000575632399 322486363 /nfs/dbraw/zinc/48/63/63/322486363.db2.gz VDASYYJMFCLFSR-INIZCTEOSA-N -1 3 285.387 3.359 20 0 CGADHM CCO[C@@H](CC)C(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000584278765 327210889 /nfs/dbraw/zinc/21/08/89/327210889.db2.gz RUZZSLNTYRSUQY-FZMZJTMJSA-N -1 3 277.364 3.048 20 0 CGADHM CC(F)(F)CNCc1cc([O-])cc(C(F)(F)F)c1 ZINC000583578364 328619736 /nfs/dbraw/zinc/61/97/36/328619736.db2.gz NGZKKIQEZFVOOD-UHFFFAOYSA-N -1 3 269.213 3.156 20 0 CGADHM C[C@@H]1CCN(CCCCC(=O)[O-])[C@H](c2ccco2)C1 ZINC000582850626 329279787 /nfs/dbraw/zinc/27/97/87/329279787.db2.gz AHXYLSGGIJONFD-OLZOCXBDSA-N -1 3 265.353 3.308 20 0 CGADHM [O-]c1cccnc1CN1CCSC[C@@H]1c1ccccc1 ZINC000583051444 329303856 /nfs/dbraw/zinc/30/38/56/329303856.db2.gz PDCQKOOKCULTCD-OAHLLOKOSA-N -1 3 286.400 3.077 20 0 CGADHM CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)Cc1cncc([O-])c1 ZINC000583033607 329305406 /nfs/dbraw/zinc/30/54/06/329305406.db2.gz FKMFWJSFBADNNR-CABCVRRESA-N -1 3 290.407 3.051 20 0 CGADHM O=C([O-])CCC1CCN(C/C=C\c2ccccc2)CC1 ZINC000220269725 329509330 /nfs/dbraw/zinc/50/93/30/329509330.db2.gz ANEAESZTMOVXHX-DAXSKMNVSA-N -1 3 273.376 3.277 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])c1ccc(Cl)cc1 ZINC000174880753 335168296 /nfs/dbraw/zinc/16/82/96/335168296.db2.gz AJEJCIVRKFCAKE-UHFFFAOYSA-N -1 3 265.671 3.437 20 0 CGADHM O=C(CCc1ccccc1)Nc1cc(F)ccc1[O-] ZINC000174898490 335168829 /nfs/dbraw/zinc/16/88/29/335168829.db2.gz VMSYSSGEUSKTDS-UHFFFAOYSA-N -1 3 259.280 3.103 20 0 CGADHM Cc1ccsc1CCCC(=O)Nc1ncccc1[O-] ZINC000157995146 334789501 /nfs/dbraw/zinc/78/95/01/334789501.db2.gz GAHYTLZKOKZVLY-UHFFFAOYSA-N -1 3 276.361 3.119 20 0 CGADHM [O-]c1ccc(-c2noc(-c3cncnc3)n2)c2ccccc12 ZINC000350575212 335515876 /nfs/dbraw/zinc/51/58/76/335515876.db2.gz IBNGGHATQHGICT-UHFFFAOYSA-N -1 3 290.282 3.052 20 0 CGADHM CCOc1cc(-c2noc(-c3coc(C)c3)n2)ccc1[O-] ZINC000350586759 335516825 /nfs/dbraw/zinc/51/68/25/335516825.db2.gz BFSPCMFADQQHQS-UHFFFAOYSA-N -1 3 286.287 3.409 20 0 CGADHM [O-]c1cccnc1CSc1cc(F)ccc1F ZINC000578597759 335652715 /nfs/dbraw/zinc/65/27/15/335652715.db2.gz XTVWAGOEJBWBKG-UHFFFAOYSA-N -1 3 253.273 3.358 20 0 CGADHM Cc1ccc(C(=O)N[C@@H]2CCC[C@H](F)C2)c([O-])c1C ZINC000579358792 335739375 /nfs/dbraw/zinc/73/93/75/335739375.db2.gz YRMBWANFKNKXCV-NWDGAFQWSA-N -1 3 265.328 3.020 20 0 CGADHM CC(C)Oc1ccccc1CN1CCC(CC(=O)[O-])CC1 ZINC000581076495 336005078 /nfs/dbraw/zinc/00/50/78/336005078.db2.gz DSUGTODTJHSFIO-UHFFFAOYSA-N -1 3 291.391 3.161 20 0 CGADHM CC[C@H]1CCC[C@@H]1C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000581609566 336111996 /nfs/dbraw/zinc/11/19/96/336111996.db2.gz GLYZEXAOTSTNTF-AAEUAGOBSA-N -1 3 275.348 3.360 20 0 CGADHM COc1cc(OC)cc(-c2nc(-c3ccc([O-])cc3)no2)c1 ZINC000386996345 336183583 /nfs/dbraw/zinc/18/35/83/336183583.db2.gz DNAKIOUIAISQMK-UHFFFAOYSA-N -1 3 298.298 3.126 20 0 CGADHM COc1ccccc1/C=C\CN[C@@H](C(=O)[O-])c1ccccc1 ZINC000426800408 533958015 /nfs/dbraw/zinc/95/80/15/533958015.db2.gz NPZVOCLRACVBTG-CGICMKJESA-N -1 3 297.354 3.124 20 0 CGADHM COc1ccccc1CCN(C)C(=O)c1ccc([O-])c(C)c1 ZINC000436925041 534035946 /nfs/dbraw/zinc/03/59/46/534035946.db2.gz FCQCXQLGLLDQAJ-UHFFFAOYSA-N -1 3 299.370 3.024 20 0 CGADHM Cc1ccc(CN[C@H](C(=O)[O-])c2ccccc2F)c(C)c1 ZINC000426797055 534085276 /nfs/dbraw/zinc/08/52/76/534085276.db2.gz FAQDVHSYKUDRQE-INIZCTEOSA-N -1 3 287.334 3.358 20 0 CGADHM Cc1ccc(-c2ccc(CNC[C@@H](C)C(=O)[O-])o2)cc1 ZINC000417585307 534186728 /nfs/dbraw/zinc/18/67/28/534186728.db2.gz OJPPHHGULIAFGI-GFCCVEGCSA-N -1 3 273.332 3.065 20 0 CGADHM Cc1ccc(-c2nc(-c3ccccn3)no2)c([O-])c1C ZINC000436889022 534205893 /nfs/dbraw/zinc/20/58/93/534205893.db2.gz ABPYTKAFFBRMJV-UHFFFAOYSA-N -1 3 267.288 3.121 20 0 CGADHM Cc1ccc(C(=O)N(C)[C@@H](C)C2CCC2)c([O-])c1C ZINC000436723781 534258737 /nfs/dbraw/zinc/25/87/37/534258737.db2.gz QWSCAIFXZVQIRY-LBPRGKRZSA-N -1 3 261.365 3.270 20 0 CGADHM Cc1ccc(C(=O)N(C)[C@@H]2CC[C@H](C)C2)c([O-])c1C ZINC000436874682 534260186 /nfs/dbraw/zinc/26/01/86/534260186.db2.gz BBZJILOPSCBYET-GXFFZTMASA-N -1 3 261.365 3.270 20 0 CGADHM Cc1noc([N-]C(=O)COc2cccc(Cl)c2C)c1C ZINC000359365674 534429293 /nfs/dbraw/zinc/42/92/93/534429293.db2.gz RZAUYGICWRTCHG-UHFFFAOYSA-N -1 3 294.738 3.271 20 0 CGADHM CCO[N-]C(=O)Nc1cccc(CCC(F)(F)F)c1 ZINC000184074512 520237503 /nfs/dbraw/zinc/23/75/03/520237503.db2.gz XOFRLGJIFYYYOL-UHFFFAOYSA-N -1 3 276.258 3.255 20 0 CGADHM Cc1cccc(C(=O)N2CCc3cc(F)cc(C)c3C2)c1[O-] ZINC000436513782 534597652 /nfs/dbraw/zinc/59/76/52/534597652.db2.gz MTILDRHKTDUMOF-UHFFFAOYSA-N -1 3 299.345 3.347 20 0 CGADHM Cc1cccc(C(=O)NC[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)c1[O-] ZINC000436601496 534607250 /nfs/dbraw/zinc/60/72/50/534607250.db2.gz IDKGRBVZCKDYLE-BBWFWOEESA-N -1 3 293.366 3.016 20 0 CGADHM Cc1cccc(C(=O)NCc2cccc3cc[nH]c32)c1[O-] ZINC000436843172 534609468 /nfs/dbraw/zinc/60/94/68/534609468.db2.gz YGZGKPPZMZZHOO-UHFFFAOYSA-N -1 3 280.327 3.112 20 0 CGADHM Cc1cccc(C(=O)NCc2cnc3ccccc3c2)c1[O-] ZINC000436549835 534610583 /nfs/dbraw/zinc/61/05/83/534610583.db2.gz XMERCWPWPZPCCF-UHFFFAOYSA-N -1 3 292.338 3.179 20 0 CGADHM Cc1cccc(C(=O)Nc2ccccc2-c2cn[nH]c2)c1[O-] ZINC000439732379 534627508 /nfs/dbraw/zinc/62/75/08/534627508.db2.gz BAGFHEHPWOBLNT-UHFFFAOYSA-N -1 3 293.326 3.343 20 0 CGADHM Cc1cccc(C(C)(C)NC(=O)c2ccc(O)cc2[O-])c1 ZINC000436671233 534637103 /nfs/dbraw/zinc/63/71/03/534637103.db2.gz UWJOHFLJICGSAG-UHFFFAOYSA-N -1 3 285.343 3.071 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)c2ccncc2F)c1[O-] ZINC000156577524 524877236 /nfs/dbraw/zinc/87/72/36/524877236.db2.gz OYAQQASZTWUYCB-UHFFFAOYSA-N -1 3 280.686 3.140 20 0 CGADHM O=C(NCCCCCc1ccccc1)c1ccc(O)cc1[O-] ZINC000436844434 534836827 /nfs/dbraw/zinc/83/68/27/534836827.db2.gz FYHFDSYZPSVFIC-UHFFFAOYSA-N -1 3 299.370 3.241 20 0 CGADHM Cc1ccc([O-])c(CN[C@H](C)c2ccc(F)cc2F)n1 ZINC000103340737 525351360 /nfs/dbraw/zinc/35/13/60/525351360.db2.gz DPKIXXGXBYXUHQ-SNVBAGLBSA-N -1 3 278.302 3.225 20 0 CGADHM CC(=O)c1cccc(NC(=O)[C@H]2CCC(C)(C)C2)c1[O-] ZINC000516069137 534892476 /nfs/dbraw/zinc/89/24/76/534892476.db2.gz UYSKNFSMLCRAIF-NSHDSACASA-N -1 3 275.348 3.360 20 0 CGADHM Cc1ccc(C(=O)Nc2ccc(C)cc2CN(C)C)c([O-])c1 ZINC000094149223 526220869 /nfs/dbraw/zinc/22/08/69/526220869.db2.gz NHPKNFMVZOCUJZ-UHFFFAOYSA-N -1 3 298.386 3.323 20 0 CGADHM CC(C)(C)c1nc(C=Cc2cncc(F)c2)cc(=O)[n-]1 ZINC000414061809 526874296 /nfs/dbraw/zinc/87/42/96/526874296.db2.gz BCJMJTOHIYLBAZ-PLNGDYQASA-N -1 3 273.311 3.184 20 0 CGADHM CC(=O)c1ccc(C(=O)NCCC(C)(C)C2CC2)cc1[O-] ZINC000412370995 527253303 /nfs/dbraw/zinc/25/33/03/527253303.db2.gz RMBMKTQKZDBUIT-UHFFFAOYSA-N -1 3 289.375 3.151 20 0 CGADHM CC(=O)c1ccc(C(=O)Nc2ccc3[nH]ccc3c2)cc1[O-] ZINC000436523695 527268077 /nfs/dbraw/zinc/26/80/77/527268077.db2.gz CHAFIEPYCNLFJK-UHFFFAOYSA-N -1 3 294.310 3.328 20 0 CGADHM O=[S@](Cc1cc(-c2ccccc2)on1)c1ccc([O-])cc1 ZINC000108083623 527427208 /nfs/dbraw/zinc/42/72/08/527427208.db2.gz JBVKDHJTLSOYTN-NRFANRHFSA-N -1 3 299.351 3.355 20 0 CGADHM O=C(Nc1ccccc1[O-])c1cc(C2CCCCC2)[nH]n1 ZINC000157958236 527428471 /nfs/dbraw/zinc/42/84/71/527428471.db2.gz OFBZRFYOTIAILD-UHFFFAOYSA-N -1 3 285.347 3.415 20 0 CGADHM CCCN(CC)C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000436954093 527962078 /nfs/dbraw/zinc/96/20/78/527962078.db2.gz UAXGITWCAXZWPX-UHFFFAOYSA-N -1 3 261.365 3.143 20 0 CGADHM CC1(C[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000358879544 527985377 /nfs/dbraw/zinc/98/53/77/527985377.db2.gz OYJQRKHJSKNVBC-UHFFFAOYSA-N -1 3 294.203 3.072 20 0 CGADHM CCC[C@H](C)N(C)C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436525669 528045507 /nfs/dbraw/zinc/04/55/07/528045507.db2.gz GZXCGIJLUABUSH-NSHDSACASA-N -1 3 291.391 3.366 20 0 CGADHM CC(C)c1ccc(C(=O)NC[C@H](O)CC(C)(C)C)c([O-])c1 ZINC000436845445 528072907 /nfs/dbraw/zinc/07/29/07/528072907.db2.gz SIUQXASPEQDZCB-CYBMUJFWSA-N -1 3 293.407 3.043 20 0 CGADHM CC(C)COc1cccc(CNC(=O)c2ccccc2[O-])c1 ZINC000436710381 528171838 /nfs/dbraw/zinc/17/18/38/528171838.db2.gz STLBWFXUIAYMHE-UHFFFAOYSA-N -1 3 299.370 3.357 20 0 CGADHM CCCCCOC1CN(C(=O)c2ccc(C)c(C)c2[O-])C1 ZINC000436571091 528221496 /nfs/dbraw/zinc/22/14/96/528221496.db2.gz CEUJCDHSFYLHON-UHFFFAOYSA-N -1 3 291.391 3.040 20 0 CGADHM CCCNC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436613307 528443165 /nfs/dbraw/zinc/44/31/65/528443165.db2.gz UQUFWOHLVCYVCE-UHFFFAOYSA-N -1 3 283.371 3.317 20 0 CGADHM CC(C)[C@@H](CNC(=O)c1c([O-])cccc1O)c1ccccc1 ZINC000436672995 528460118 /nfs/dbraw/zinc/46/01/18/528460118.db2.gz HYMYMTCIRLZSSS-CQSZACIVSA-N -1 3 299.370 3.267 20 0 CGADHM CC(C)n1nccc1C=Cc1cc(=O)[n-]c(C(C)(C)C)n1 ZINC000414072513 528670788 /nfs/dbraw/zinc/67/07/88/528670788.db2.gz LPDASBWTMVTCAD-VOTSOKGWSA-N -1 3 286.379 3.428 20 0 CGADHM CC(C)[C@@H]1CCC[C@H](NC(=O)c2ccc(O)cc2[O-])C1 ZINC000436597085 528689454 /nfs/dbraw/zinc/68/94/54/528689454.db2.gz SYLLJVZGWLRVPJ-NEPJUHHUSA-N -1 3 277.364 3.042 20 0 CGADHM CCCc1ncc(C(=O)Nc2ccc(C)cc2[O-])s1 ZINC000175059262 528765332 /nfs/dbraw/zinc/76/53/32/528765332.db2.gz IKMKYZFZYSNIDX-UHFFFAOYSA-N -1 3 276.361 3.362 20 0 CGADHM CCCC[C@@H]1CCC[C@H]1NC(=O)c1ccc([O-])c(OC)c1 ZINC000436636498 528873772 /nfs/dbraw/zinc/87/37/72/528873772.db2.gz YRHCICFGGRRYKY-TZMCWYRMSA-N -1 3 291.391 3.490 20 0 CGADHM CC1(C)CCC(CSc2nc3nncc-3c(O)[n-]2)CC1 ZINC000358851245 528905658 /nfs/dbraw/zinc/90/56/58/528905658.db2.gz KIRRKJSCWYWWPH-UHFFFAOYSA-N -1 3 292.408 3.367 20 0 CGADHM CC(C)[C@H](C(=O)[O-])[C@H](C)NCc1csc(C(C)(C)C)n1 ZINC000424620189 528930992 /nfs/dbraw/zinc/93/09/92/528930992.db2.gz MONOSVVJOMMAJO-JQWIXIFHSA-N -1 3 298.452 3.276 20 0 CGADHM CCCC[C@H]1CCC[C@@H]1NC(=O)c1ccc([O-])c(OC)c1 ZINC000436636495 529002290 /nfs/dbraw/zinc/00/22/90/529002290.db2.gz YRHCICFGGRRYKY-JSGCOSHPSA-N -1 3 291.391 3.490 20 0 CGADHM CC(C)[C@H](CNC(=O)c1c([O-])cccc1O)c1ccccc1 ZINC000436672994 529010639 /nfs/dbraw/zinc/01/06/39/529010639.db2.gz HYMYMTCIRLZSSS-AWEZNQCLSA-N -1 3 299.370 3.267 20 0 CGADHM CCCCn1c(=O)[n-]nc1S[C@@H]1CCCC(C)(C)C1=O ZINC000412981814 529071273 /nfs/dbraw/zinc/07/12/73/529071273.db2.gz HBMDBIOCBDFZPH-SNVBAGLBSA-N -1 3 297.424 3.024 20 0 CGADHM CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000411400769 529289979 /nfs/dbraw/zinc/28/99/79/529289979.db2.gz OQNLGQGUAMFVDD-IUODEOHRSA-N -1 3 289.375 3.293 20 0 CGADHM CC[C@H](C)n1ncc(NC(=O)c2ccc(C)cc2[O-])c1C ZINC000436597172 529293798 /nfs/dbraw/zinc/29/37/98/529293798.db2.gz UCAQTILCWIHIQT-NSHDSACASA-N -1 3 287.363 3.429 20 0 CGADHM CC1(C2CC2)CCN(C(=O)Cc2ccc([O-])c(F)c2)CC1 ZINC000451829682 535106551 /nfs/dbraw/zinc/10/65/51/535106551.db2.gz AXMNAYIMWZURQK-UHFFFAOYSA-N -1 3 291.366 3.113 20 0 CGADHM CCC1(CNCc2cccc([O-])c2Br)CC1 ZINC000315236235 535295799 /nfs/dbraw/zinc/29/57/99/535295799.db2.gz KZIIWSXHJPIIFH-UHFFFAOYSA-N -1 3 284.197 3.435 20 0 CGADHM CCc1cc(C(=O)N2CC[C@H](C(C)C)C2)ccc1[O-] ZINC000486752864 536112686 /nfs/dbraw/zinc/11/26/86/536112686.db2.gz VEIKZWMNRWWAFZ-AWEZNQCLSA-N -1 3 261.365 3.073 20 0 CGADHM CCc1cc(C(=O)NCc2ccc(F)cc2F)ccc1[O-] ZINC000485665928 536124147 /nfs/dbraw/zinc/12/41/47/536124147.db2.gz DBAZXOGJSXZMII-UHFFFAOYSA-N -1 3 291.297 3.163 20 0 CGADHM CCc1cc(C(=O)NCc2cc(C)cc(OC)c2)ccc1[O-] ZINC000486911987 536124595 /nfs/dbraw/zinc/12/45/95/536124595.db2.gz IFDSRZSHJXNUNH-UHFFFAOYSA-N -1 3 299.370 3.202 20 0 CGADHM CCc1cc(C(=O)N[C@H](C)c2ccc(OC)cc2)ccc1[O-] ZINC000485676085 536130082 /nfs/dbraw/zinc/13/00/82/536130082.db2.gz ZOQJWHXQZVLMLL-GFCCVEGCSA-N -1 3 299.370 3.454 20 0 CGADHM CCc1cc(=O)[n-]c(CSCc2cccc(F)c2)n1 ZINC000125533906 536154633 /nfs/dbraw/zinc/15/46/33/536154633.db2.gz GENUGMBFGGAENS-UHFFFAOYSA-N -1 3 278.352 3.317 20 0 CGADHM COc1cc(C)cc(C(=O)Nc2cccc(F)c2C)c1[O-] ZINC000091991816 536632994 /nfs/dbraw/zinc/63/29/94/536632994.db2.gz PGTQRLCUROZNQB-UHFFFAOYSA-N -1 3 289.306 3.409 20 0 CGADHM COc1cccc([C@H]2C[C@H]2C(=O)Nc2ccccc2[O-])c1 ZINC000106902594 536913400 /nfs/dbraw/zinc/91/34/00/536913400.db2.gz UWGXYIZPVZHYOI-ZIAGYGMSSA-N -1 3 283.327 3.143 20 0 CGADHM c1ccc2c(c1)nc(NCC1CCCC1)cc2-c1nnn[n-]1 ZINC000738433343 571745621 /nfs/dbraw/zinc/74/56/21/571745621.db2.gz QIUQLBNYOPPZHH-UHFFFAOYSA-N -1 3 294.362 3.017 20 0 CGADHM c1ccc2c(c1)nc(NCC1CCCC1)cc2-c1nn[n-]n1 ZINC000738433343 571745625 /nfs/dbraw/zinc/74/56/25/571745625.db2.gz QIUQLBNYOPPZHH-UHFFFAOYSA-N -1 3 294.362 3.017 20 0 CGADHM C[C@H](c1ccccc1F)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000226421217 568585427 /nfs/dbraw/zinc/58/54/27/568585427.db2.gz CTBFJYQEINLMLV-NEPJUHHUSA-N -1 3 265.328 3.073 20 0 CGADHM Cc1ccc(-c2cc(C(=O)OCC3CC=CC3)[n-]n2)o1 ZINC000750363359 571753640 /nfs/dbraw/zinc/75/36/40/571753640.db2.gz CNDJPJLKNHKYKM-UHFFFAOYSA-N -1 3 272.304 3.101 20 0 CGADHM Cc1ccc(-c2cc(C(=O)OCC3CC=CC3)n[n-]2)o1 ZINC000750363359 571753642 /nfs/dbraw/zinc/75/36/42/571753642.db2.gz CNDJPJLKNHKYKM-UHFFFAOYSA-N -1 3 272.304 3.101 20 0 CGADHM Cc1cc([N-]C(=O)[C@@H](C)OC(=O)CCCC(C)(C)C)on1 ZINC000729027878 571862495 /nfs/dbraw/zinc/86/24/95/571862495.db2.gz NSQVWLHXYCFMCH-LLVKDONJSA-N -1 3 296.367 3.070 20 0 CGADHM O=C(N[C@@H]1CCC[C@@H]1F)c1cc([O-])c2ccccc2c1 ZINC000340824018 571884172 /nfs/dbraw/zinc/88/41/72/571884172.db2.gz NPICHVPOALGLRJ-UONOGXRCSA-N -1 3 273.307 3.166 20 0 CGADHM O=C(Nc1ccc(N2CCCC2)cn1)c1cc2occc2[n-]1 ZINC000750844771 572329972 /nfs/dbraw/zinc/32/99/72/572329972.db2.gz DCWPTIHMYOPRJF-UHFFFAOYSA-N -1 3 296.330 3.008 20 0 CGADHM CC(C)CC[C@H](C)[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000024701049 572335046 /nfs/dbraw/zinc/33/50/46/572335046.db2.gz HFQUQIIXKGGLDP-JTQLQIEISA-N -1 3 291.363 3.068 20 0 CGADHM c1cc(-c2nnn[n-]2)ccc1NC1CCCCCC1 ZINC000738412947 572374595 /nfs/dbraw/zinc/37/45/95/572374595.db2.gz NYXUEPIVARRRMU-UHFFFAOYSA-N -1 3 257.341 3.001 20 0 CGADHM c1cc(-c2nn[n-]n2)ccc1NC1CCCCCC1 ZINC000738412947 572374598 /nfs/dbraw/zinc/37/45/98/572374598.db2.gz NYXUEPIVARRRMU-UHFFFAOYSA-N -1 3 257.341 3.001 20 0 CGADHM Fc1ccc(CSC2CCCC2)c(-c2nnn[n-]2)c1 ZINC000737648410 572379889 /nfs/dbraw/zinc/37/98/89/572379889.db2.gz KDDNMLRMGPDWJM-UHFFFAOYSA-N -1 3 278.356 3.182 20 0 CGADHM Fc1ccc(CSC2CCCC2)c(-c2nn[n-]n2)c1 ZINC000737648410 572379891 /nfs/dbraw/zinc/37/98/91/572379891.db2.gz KDDNMLRMGPDWJM-UHFFFAOYSA-N -1 3 278.356 3.182 20 0 CGADHM Cc1ccccc1CN(C)[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000738771607 572392466 /nfs/dbraw/zinc/39/24/66/572392466.db2.gz RFHAWAYDPJDWBN-INIZCTEOSA-N -1 3 287.334 3.392 20 0 CGADHM C[C@H](NC1CCC(NC(=O)[O-])CC1)c1cc(F)ccc1F ZINC000739031829 572411352 /nfs/dbraw/zinc/41/13/52/572411352.db2.gz FHNKLYKINSHSSJ-GCVQQVDUSA-N -1 3 298.333 3.194 20 0 CGADHM CCCN(Cc1ccccc1F)C[C@@H]1CCN(C(=O)[O-])C1 ZINC000739360814 572412221 /nfs/dbraw/zinc/41/22/21/572412221.db2.gz XLKYQCBXATUTBP-ZDUSSCGKSA-N -1 3 294.370 3.038 20 0 CGADHM O=C([O-])[C@H](NC/C=C/c1ccccc1)c1ccc(F)cc1 ZINC000739506409 572418147 /nfs/dbraw/zinc/41/81/47/572418147.db2.gz FWQYPNTVTDNBLO-IEXSPKMKSA-N -1 3 285.318 3.254 20 0 CGADHM C[C@H](OC(=O)c1cncc([O-])c1)c1ccccc1Cl ZINC000732391510 572462115 /nfs/dbraw/zinc/46/21/15/572462115.db2.gz JBSTVBNFVTVJIQ-VIFPVBQESA-N -1 3 277.707 3.359 20 0 CGADHM Cc1ccc(-c2nc(COCc3ccccc3)no2)c([O-])c1 ZINC000395544160 572479579 /nfs/dbraw/zinc/47/95/79/572479579.db2.gz YXWKSYZKSGITIQ-UHFFFAOYSA-N -1 3 296.326 3.467 20 0 CGADHM COc1cccc(-c2noc([N-][C@H](C)c3ccccn3)n2)c1 ZINC000742389053 572574854 /nfs/dbraw/zinc/57/48/54/572574854.db2.gz BAKNWSWOHXPULA-LLVKDONJSA-N -1 3 296.330 3.313 20 0 CGADHM O=c1[n-]c(-c2cccc(Cl)n2)nc2cc(F)c(F)cc12 ZINC000742464765 572585626 /nfs/dbraw/zinc/58/56/26/572585626.db2.gz XATFSTNVXDPEDG-UHFFFAOYSA-N -1 3 293.660 3.329 20 0 CGADHM Cc1ccc([C@H](C)C(=O)Nc2ccc(C)cc2[O-])o1 ZINC000743288919 572645896 /nfs/dbraw/zinc/64/58/96/572645896.db2.gz KGJFTXCCTGODPZ-NSHDSACASA-N -1 3 259.305 3.344 20 0 CGADHM COCCCCCOC(=O)c1cc2ccsc2[n-]1 ZINC000735129056 572702959 /nfs/dbraw/zinc/70/29/59/572702959.db2.gz ZIXCWNRMVYEIHI-UHFFFAOYSA-N -1 3 267.350 3.203 20 0 CGADHM CC(C)(C)CCCNc1ccc(-c2nnn[n-]2)cc1F ZINC000735602363 572732978 /nfs/dbraw/zinc/73/29/78/572732978.db2.gz NCWPSODJMCDOPW-UHFFFAOYSA-N -1 3 277.347 3.244 20 0 CGADHM CC(C)(C)CCCNc1ccc(-c2nn[n-]n2)cc1F ZINC000735602363 572732979 /nfs/dbraw/zinc/73/29/79/572732979.db2.gz NCWPSODJMCDOPW-UHFFFAOYSA-N -1 3 277.347 3.244 20 0 CGADHM CC(C)CC(CC(C)C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000735761347 572739877 /nfs/dbraw/zinc/73/98/77/572739877.db2.gz MQEWFDPQRXDKQL-UHFFFAOYSA-N -1 3 288.399 3.134 20 0 CGADHM CC(C)CC(CC(C)C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000735761347 572739882 /nfs/dbraw/zinc/73/98/82/572739882.db2.gz MQEWFDPQRXDKQL-UHFFFAOYSA-N -1 3 288.399 3.134 20 0 CGADHM CCCCCCOC(=O)c1ccc(NC(=O)OC)c([O-])c1 ZINC000745654813 572829351 /nfs/dbraw/zinc/82/93/51/572829351.db2.gz GFECIXNVCBTNLA-UHFFFAOYSA-N -1 3 295.335 3.308 20 0 CGADHM CC(=O)Nc1ccc(Oc2nc3ccccc3c(=O)[n-]2)cc1 ZINC000750530075 573145729 /nfs/dbraw/zinc/14/57/29/573145729.db2.gz DFCUDJVKWVOCAR-UHFFFAOYSA-N -1 3 295.298 3.086 20 0 CGADHM CC[C@@H](C)C[C@@H](C)Nc1cccc(F)c1-c1nnn[n-]1 ZINC000820870647 599067326 /nfs/dbraw/zinc/06/73/26/599067326.db2.gz WSJGBFGEISUQEG-NXEZZACHSA-N -1 3 277.347 3.242 20 0 CGADHM CC[C@@H](C)C[C@@H](C)Nc1cccc(F)c1-c1nn[n-]n1 ZINC000820870647 599067327 /nfs/dbraw/zinc/06/73/27/599067327.db2.gz WSJGBFGEISUQEG-NXEZZACHSA-N -1 3 277.347 3.242 20 0 CGADHM CC[C@]1(C)CCCN(c2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000820950310 599089430 /nfs/dbraw/zinc/08/94/30/599089430.db2.gz MCAOMIFLRGZFOC-OAHLLOKOSA-N -1 3 289.358 3.022 20 0 CGADHM CC[C@]1(C)CCCN(c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000820950310 599089433 /nfs/dbraw/zinc/08/94/33/599089433.db2.gz MCAOMIFLRGZFOC-OAHLLOKOSA-N -1 3 289.358 3.022 20 0 CGADHM CC[C@@]1(C)CCCN(c2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000820950308 599089456 /nfs/dbraw/zinc/08/94/56/599089456.db2.gz MCAOMIFLRGZFOC-HNNXBMFYSA-N -1 3 289.358 3.022 20 0 CGADHM CC[C@@]1(C)CCCN(c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000820950308 599089459 /nfs/dbraw/zinc/08/94/59/599089459.db2.gz MCAOMIFLRGZFOC-HNNXBMFYSA-N -1 3 289.358 3.022 20 0 CGADHM C[C@@H](NCCC(=O)[O-])c1cc(Cl)sc1Cl ZINC000235181305 597240352 /nfs/dbraw/zinc/24/03/52/597240352.db2.gz CQLBQHUAWGIXIO-RXMQYKEDSA-N -1 3 268.165 3.180 20 0 CGADHM C[C@@H](NCc1ccc(C(=O)[O-])cc1)c1ccnc(Cl)c1 ZINC000818051965 597244384 /nfs/dbraw/zinc/24/43/84/597244384.db2.gz CLRBNCXGKPGACS-SNVBAGLBSA-N -1 3 290.750 3.284 20 0 CGADHM Cc1ccccc1CNc1cccc(Cl)c1-c1nnn[n-]1 ZINC000822361678 599252956 /nfs/dbraw/zinc/25/29/56/599252956.db2.gz FUFOYIFAUQIPFS-UHFFFAOYSA-N -1 3 299.765 3.441 20 0 CGADHM Cc1ccccc1CNc1cccc(Cl)c1-c1nn[n-]n1 ZINC000822361678 599252957 /nfs/dbraw/zinc/25/29/57/599252957.db2.gz FUFOYIFAUQIPFS-UHFFFAOYSA-N -1 3 299.765 3.441 20 0 CGADHM C[C@@H](NCc1cccc(C(=O)[O-])c1)c1ccc(Cl)nc1 ZINC000820147794 598191887 /nfs/dbraw/zinc/19/18/87/598191887.db2.gz GFMHFEDVOWUYSX-SNVBAGLBSA-N -1 3 290.750 3.284 20 0 CGADHM C[C@@H](NCc1cccc(C(=O)[O-])c1)c1ccc2c(c1)COC2 ZINC000820147731 598192481 /nfs/dbraw/zinc/19/24/81/598192481.db2.gz BVKXMMMGBXUERQ-GFCCVEGCSA-N -1 3 297.354 3.266 20 0 CGADHM C[C@@H](c1nc2ccccc2o1)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000820199999 598205590 /nfs/dbraw/zinc/20/55/90/598205590.db2.gz SBOKVWDGMYIFBI-RYUDHWBXSA-N -1 3 288.347 3.076 20 0 CGADHM C[C@H](c1nc2ccccc2o1)N1CCC[C@H](CC(=O)[O-])C1 ZINC000820200000 598205594 /nfs/dbraw/zinc/20/55/94/598205594.db2.gz SBOKVWDGMYIFBI-VXGBXAGGSA-N -1 3 288.347 3.076 20 0 CGADHM FC(F)(F)c1ccc(NCC2CCC2)cc1-c1nnn[n-]1 ZINC000822727893 607346922 /nfs/dbraw/zinc/34/69/22/607346922.db2.gz AXCBMGGFQZADHA-UHFFFAOYSA-N -1 3 297.284 3.098 20 0 CGADHM FC(F)(F)c1ccc(NCC2CCC2)cc1-c1nn[n-]n1 ZINC000822727893 607346923 /nfs/dbraw/zinc/34/69/23/607346923.db2.gz AXCBMGGFQZADHA-UHFFFAOYSA-N -1 3 297.284 3.098 20 0 CGADHM Clc1ccc(NCC2CCCC2)c(-c2nnn[n-]2)c1 ZINC000737574037 598793702 /nfs/dbraw/zinc/79/37/02/598793702.db2.gz JXCPFLFWHWQPHY-UHFFFAOYSA-N -1 3 277.759 3.122 20 0 CGADHM Clc1ccc(NCC2CCCC2)c(-c2nn[n-]n2)c1 ZINC000737574037 598793704 /nfs/dbraw/zinc/79/37/04/598793704.db2.gz JXCPFLFWHWQPHY-UHFFFAOYSA-N -1 3 277.759 3.122 20 0 CGADHM Fc1cc(-c2nn[n-]n2)ccc1NC/C=C\c1ccccc1 ZINC000737639513 598794212 /nfs/dbraw/zinc/79/42/12/598794212.db2.gz DWKMPQFZAYMUPY-DAXSKMNVSA-N -1 3 295.321 3.131 20 0 CGADHM C[C@H]1CCC[C@H](C)N(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000820697645 599584885 /nfs/dbraw/zinc/58/48/85/599584885.db2.gz JUQCFEQMMADZQO-QWRGUYRKSA-N -1 3 289.358 3.021 20 0 CGADHM C[C@H]1CCC[C@H](C)N(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000820697645 599584889 /nfs/dbraw/zinc/58/48/89/599584889.db2.gz JUQCFEQMMADZQO-QWRGUYRKSA-N -1 3 289.358 3.021 20 0 CGADHM CCOc1ccccc1CN[C@H](C(=O)[O-])c1ccccc1 ZINC000050507950 599785255 /nfs/dbraw/zinc/78/52/55/599785255.db2.gz QIIHQHQOYDXOGB-INIZCTEOSA-N -1 3 285.343 3.001 20 0 CGADHM C[C@@H](c1ccc(F)c(F)c1)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000405355412 600302000 /nfs/dbraw/zinc/30/20/00/600302000.db2.gz IGSZSCJBMLVANN-JQWIXIFHSA-N -1 3 295.329 3.213 20 0 CGADHM O=C([O-])[C@H](N[C@H]1CCc2ccccc21)c1ccccc1F ZINC000833167730 600734962 /nfs/dbraw/zinc/73/49/62/600734962.db2.gz PRNPWHKKNUTGAA-JKSUJKDBSA-N -1 3 285.318 3.229 20 0 CGADHM O=C([O-])c1ccc(CN2CCSC3(CCCCC3)C2)o1 ZINC000833314416 601158411 /nfs/dbraw/zinc/15/84/11/601158411.db2.gz JBNYOOFWGQYIPJ-UHFFFAOYSA-N -1 3 295.404 3.230 20 0 CGADHM C/C(=C\CN(Cc1ccccc1F)C(C)C)C(=O)[O-] ZINC000825729185 601159669 /nfs/dbraw/zinc/15/96/69/601159669.db2.gz BKUROXKIBHADHA-XYOKQWHBSA-N -1 3 265.328 3.067 20 0 CGADHM C/C(=C/CN1CCCC[C@@H]1c1ccc(C)o1)C(=O)[O-] ZINC000825740721 601172140 /nfs/dbraw/zinc/17/21/40/601172140.db2.gz AKRVWNJLIPTLNJ-BIRHUZIMSA-N -1 3 263.337 3.146 20 0 CGADHM CCN(Cc1ccoc1C(=O)[O-])[C@H](C)c1cccc(O)c1 ZINC000829734986 601375423 /nfs/dbraw/zinc/37/54/23/601375423.db2.gz YTHDRLWBFCTQED-LLVKDONJSA-N -1 3 289.331 3.267 20 0 CGADHM C[C@@H](c1ccc(Cl)cc1)N1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000739179169 602766018 /nfs/dbraw/zinc/76/60/18/602766018.db2.gz VHOLMKPEWLIIQH-UHIISALHSA-N -1 3 296.798 3.379 20 0 CGADHM C[C@@H]1Cc2ccccc2[C@H]1NCc1ccc(NC(=O)[O-])nc1 ZINC000826093285 603551715 /nfs/dbraw/zinc/55/17/15/603551715.db2.gz BWFDZXSLEQGJER-BZNIZROVSA-N -1 3 297.358 3.195 20 0 CGADHM CC[C@H](N[C@@H]1CCCN(C(=O)[O-])C1)c1cc(F)ccc1F ZINC000828982732 604287774 /nfs/dbraw/zinc/28/77/74/604287774.db2.gz IFUIPSSLPAIEOV-RISCZKNCSA-N -1 3 298.333 3.148 20 0 CGADHM CC[C@H](N[C@H]1CCCN(C(=O)[O-])C1)c1cc(F)ccc1F ZINC000828982731 604287783 /nfs/dbraw/zinc/28/77/83/604287783.db2.gz IFUIPSSLPAIEOV-FZMZJTMJSA-N -1 3 298.333 3.148 20 0 CGADHM C[C@@H](NCc1ccc([C@@H](C)NC(=O)[O-])cc1)c1cccnc1 ZINC000825501264 604304368 /nfs/dbraw/zinc/30/43/68/604304368.db2.gz BVPPRVLIRJTTFV-CHWSQXEVSA-N -1 3 299.374 3.261 20 0 CGADHM Cc1cc([C@@H](C)N[C@@H](C(=O)[O-])c2cccnc2)ccc1F ZINC000832873296 605007476 /nfs/dbraw/zinc/00/74/76/605007476.db2.gz FTYQNEYDSHZNOB-IAQYHMDHSA-N -1 3 288.322 3.006 20 0 CGADHM C[C@@]1(NCc2csc(C3CC3)n2)CCCC[C@@H]1C(=O)[O-] ZINC000833569208 605060942 /nfs/dbraw/zinc/06/09/42/605060942.db2.gz KGSLODVMLSHVSC-IUODEOHRSA-N -1 3 294.420 3.144 20 0 CGADHM Cc1cccc([C@H](C)Nc2ccc(-c3nnn[n-]3)nc2)c1C ZINC000822289570 606088679 /nfs/dbraw/zinc/08/86/79/606088679.db2.gz ZTCAJZSFBSGJPD-LBPRGKRZSA-N -1 3 294.362 3.052 20 0 CGADHM Cc1cccc([C@H](C)Nc2ccc(-c3nn[n-]n3)nc2)c1C ZINC000822289570 606088683 /nfs/dbraw/zinc/08/86/83/606088683.db2.gz ZTCAJZSFBSGJPD-LBPRGKRZSA-N -1 3 294.362 3.052 20 0 CGADHM Cc1cccc(NCc2cccc(-c3nnn[n-]3)c2)c1Cl ZINC000822328457 606464998 /nfs/dbraw/zinc/46/49/98/606464998.db2.gz QGHHXXXRESNGDP-UHFFFAOYSA-N -1 3 299.765 3.441 20 0 CGADHM Cc1cccc(NCc2cccc(-c3nn[n-]n3)c2)c1Cl ZINC000822328457 606465000 /nfs/dbraw/zinc/46/50/00/606465000.db2.gz QGHHXXXRESNGDP-UHFFFAOYSA-N -1 3 299.765 3.441 20 0 CGADHM Cl/C=C(/Cl)CSc1ccccc1-c1nnn[n-]1 ZINC000822563206 606869282 /nfs/dbraw/zinc/86/92/82/606869282.db2.gz HGJQUOXFJIXEFT-FNORWQNLSA-N -1 3 287.175 3.278 20 0 CGADHM Cl/C=C(/Cl)CSc1ccccc1-c1nn[n-]n1 ZINC000822563206 606869283 /nfs/dbraw/zinc/86/92/83/606869283.db2.gz HGJQUOXFJIXEFT-FNORWQNLSA-N -1 3 287.175 3.278 20 0 CGADHM C[C@H](Sc1cccc(-c2nnn[n-]2)c1)c1cccnc1 ZINC000820557514 607013386 /nfs/dbraw/zinc/01/33/86/607013386.db2.gz ZNCPPRXVFPYTDD-JTQLQIEISA-N -1 3 283.360 3.115 20 0 CGADHM C[C@H](Sc1cccc(-c2nn[n-]n2)c1)c1cccnc1 ZINC000820557514 607013388 /nfs/dbraw/zinc/01/33/88/607013388.db2.gz ZNCPPRXVFPYTDD-JTQLQIEISA-N -1 3 283.360 3.115 20 0 CGADHM Cc1sc(C=Cc2ccccc2-c2nnn[n-]2)cc1C=O ZINC000826349882 607885469 /nfs/dbraw/zinc/88/54/69/607885469.db2.gz YMDALMQWPQWZBF-VOTSOKGWSA-N -1 3 296.355 3.220 20 0 CGADHM Cc1sc(C=Cc2ccccc2-c2nn[n-]n2)cc1C=O ZINC000826349882 607885470 /nfs/dbraw/zinc/88/54/70/607885470.db2.gz YMDALMQWPQWZBF-VOTSOKGWSA-N -1 3 296.355 3.220 20 0 CGADHM c1cc2nc(NCCCC3CC3)ccc2cc1-c1nnn[n-]1 ZINC000826518176 608229632 /nfs/dbraw/zinc/22/96/32/608229632.db2.gz DOLFRZWKNSPMFM-UHFFFAOYSA-N -1 3 294.362 3.017 20 0 CGADHM c1cc2nc(NCCCC3CC3)ccc2cc1-c1nn[n-]n1 ZINC000826518176 608229633 /nfs/dbraw/zinc/22/96/33/608229633.db2.gz DOLFRZWKNSPMFM-UHFFFAOYSA-N -1 3 294.362 3.017 20 0 CGADHM c1cc(-c2nnn[n-]2)sc1CNc1ccc(C2CC2)cc1 ZINC000826515306 608252382 /nfs/dbraw/zinc/25/23/82/608252382.db2.gz URCZITPIPVRIGW-UHFFFAOYSA-N -1 3 297.387 3.418 20 0 CGADHM CCc1ccc(NCc2ccccc2-c2nnn[n-]2)cc1C ZINC000825717813 608751198 /nfs/dbraw/zinc/75/11/98/608751198.db2.gz QLBFGZWBVVGONZ-UHFFFAOYSA-N -1 3 293.374 3.350 20 0 CGADHM CCc1ccc(NCc2ccccc2-c2nn[n-]n2)cc1C ZINC000825717813 608751201 /nfs/dbraw/zinc/75/12/01/608751201.db2.gz QLBFGZWBVVGONZ-UHFFFAOYSA-N -1 3 293.374 3.350 20 0 CGADHM c1ccc([C@H]2C[C@@H]2CNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826520863 608869762 /nfs/dbraw/zinc/86/97/62/608869762.db2.gz SWTHUKHJMYKXMR-GDBMZVCRSA-N -1 3 291.358 3.082 20 0 CGADHM c1ccc([C@H]2C[C@@H]2CNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826520863 608869765 /nfs/dbraw/zinc/86/97/65/608869765.db2.gz SWTHUKHJMYKXMR-GDBMZVCRSA-N -1 3 291.358 3.082 20 0 CGADHM Cc1cnc([C@H](C)Sc2ccccc2-c2nnn[n-]2)o1 ZINC000826317641 608886572 /nfs/dbraw/zinc/88/65/72/608886572.db2.gz KBUZABUKBZHXIX-VIFPVBQESA-N -1 3 287.348 3.016 20 0 CGADHM Cc1cnc([C@H](C)Sc2ccccc2-c2nn[n-]n2)o1 ZINC000826317641 608886574 /nfs/dbraw/zinc/88/65/74/608886574.db2.gz KBUZABUKBZHXIX-VIFPVBQESA-N -1 3 287.348 3.016 20 0 CGADHM Cc1cc(C)cc(N(C)Cc2cc(-c3nnn[n-]3)cs2)c1 ZINC000826264078 609174236 /nfs/dbraw/zinc/17/42/36/609174236.db2.gz BFAARDASSARAPU-UHFFFAOYSA-N -1 3 299.403 3.181 20 0 CGADHM Cc1cc(C)cc(N(C)Cc2cc(-c3nn[n-]n3)cs2)c1 ZINC000826264078 609174238 /nfs/dbraw/zinc/17/42/38/609174238.db2.gz BFAARDASSARAPU-UHFFFAOYSA-N -1 3 299.403 3.181 20 0 CGADHM Cc1ccccc1C1=N/C(=C\c2ccc([O-])c(F)c2)C(=O)O1 ZINC000255057249 617812658 /nfs/dbraw/zinc/81/26/58/617812658.db2.gz YJUSCUZRFKJMPR-ZROIWOOFSA-N -1 3 297.285 3.184 20 0 CGADHM O=C([O-])C1(CCCCNCc2cnc(C3CC3)o2)CCC1 ZINC000900084839 620759293 /nfs/dbraw/zinc/75/92/93/620759293.db2.gz WPLVKRNUDCEQQT-UHFFFAOYSA-N -1 3 292.379 3.067 20 0 CGADHM O=C([N-]Cc1cccc2ccccc21)C(F)(F)C(F)F ZINC000175925182 618051543 /nfs/dbraw/zinc/05/15/43/618051543.db2.gz NTWOWKNZAROLDB-UHFFFAOYSA-N -1 3 285.240 3.356 20 0 CGADHM CC1(C)C(C)(C)C1(C)NC(=O)c1c[n-]c2ccccc2c1=O ZINC000900861953 620817278 /nfs/dbraw/zinc/81/72/78/620817278.db2.gz GMENLBXOPLMKEN-UHFFFAOYSA-N -1 3 298.386 3.083 20 0 CGADHM CC/C=C(/C)C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000161152169 618588972 /nfs/dbraw/zinc/58/89/72/618588972.db2.gz JKYKPCNGKPKUHV-WZUFQYTHSA-N -1 3 297.358 3.040 20 0 CGADHM Cc1ccccc1[C@@H](C)NCc1ccoc1C(=O)[O-] ZINC000235222008 618745354 /nfs/dbraw/zinc/74/53/54/618745354.db2.gz YYDXALWVNFYQKO-LLVKDONJSA-N -1 3 259.305 3.137 20 0 CGADHM Cc1cccc(C)c1NC=C1C(=O)[N-]C(=O)c2ccccc21 ZINC000255601779 618753324 /nfs/dbraw/zinc/75/33/24/618753324.db2.gz ANERXWPOYQEXJG-GDNBJRDFSA-N -1 3 292.338 3.026 20 0 CGADHM O=C(C=Cc1cccs1)Nc1n[n-]c(-c2ccccn2)n1 ZINC000065880256 618808059 /nfs/dbraw/zinc/80/80/59/618808059.db2.gz OVEFNOBJMBHJDM-VOTSOKGWSA-N -1 3 297.343 3.230 20 0 CGADHM Cc1oc(C(=O)[O-])cc1CN[C@@H]1CCc2ccccc21 ZINC000235830984 618828389 /nfs/dbraw/zinc/82/83/89/618828389.db2.gz UFTRAOQLJZYPAL-CQSZACIVSA-N -1 3 271.316 3.063 20 0 CGADHM O=C([O-])c1occc1CN[C@@H]1CCCc2sccc21 ZINC000236476405 618857704 /nfs/dbraw/zinc/85/77/04/618857704.db2.gz QVLMDZNUYAKHSS-LLVKDONJSA-N -1 3 277.345 3.207 20 0 CGADHM O=C(OCCC1(O)CCC1)c1cc2cc(Cl)sc2[n-]1 ZINC000840575459 618879442 /nfs/dbraw/zinc/87/94/42/618879442.db2.gz OMQJUXXCHPXTGN-UHFFFAOYSA-N -1 3 299.779 3.345 20 0 CGADHM O=c1cc(N[C@H]2CC3(CCC3)Oc3ccccc32)nc[n-]1 ZINC000892899759 618950130 /nfs/dbraw/zinc/95/01/30/618950130.db2.gz MTGCXHAKZUYFNG-LBPRGKRZSA-N -1 3 283.331 3.041 20 0 CGADHM CC(C)C[C@H](C)CC(=O)[N-]OCCC(F)(F)F ZINC000162655917 619124404 /nfs/dbraw/zinc/12/44/04/619124404.db2.gz BRPJFDFWAPDAJN-VIFPVBQESA-N -1 3 255.280 3.059 20 0 CGADHM CCCC[C@@H](C)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC000314709746 619235531 /nfs/dbraw/zinc/23/55/31/619235531.db2.gz WGPHOKFEWNGDQY-BDAKNGLRSA-N -1 3 256.371 3.071 20 0 CGADHM CC(C)c1ncc(CN(C)Cc2ccc([O-])c(F)c2)cn1 ZINC000894247281 619441125 /nfs/dbraw/zinc/44/11/25/619441125.db2.gz DIORZNQUXVCKQK-UHFFFAOYSA-N -1 3 289.354 3.077 20 0 CGADHM CC[C@H](CC(=O)[N-]OCCSC)c1ccc(C)cc1 ZINC000794187730 619739085 /nfs/dbraw/zinc/73/90/85/619739085.db2.gz IWTOVTBNLNERPH-CYBMUJFWSA-N -1 3 281.421 3.290 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)CCCSC(C)(C)C ZINC000794851757 619777041 /nfs/dbraw/zinc/77/70/41/619777041.db2.gz LIGBQIARHRHWBR-LLVKDONJSA-N -1 3 261.431 3.392 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)CCSCc1ccccc1 ZINC000794868278 619778757 /nfs/dbraw/zinc/77/87/57/619778757.db2.gz AALOLOXFUOKNOX-CYBMUJFWSA-N -1 3 281.421 3.404 20 0 CGADHM CCCc1ccccc1NC(=O)c1cc2c(cc1[O-])OCO2 ZINC000093945287 619791190 /nfs/dbraw/zinc/79/11/90/619791190.db2.gz XJNUGXSYSUREFA-UHFFFAOYSA-N -1 3 299.326 3.326 20 0 CGADHM O=C(Nc1ncccc1[O-])[C@@H](c1ccncc1)C1CCCC1 ZINC000895486566 619836856 /nfs/dbraw/zinc/83/68/56/619836856.db2.gz GLHGDQJKVAIQRT-OAHLLOKOSA-N -1 3 297.358 3.095 20 0 CGADHM C[C@@H]1[C@H](C(F)(F)F)CCN1Cc1ccc(C(=O)[O-])cc1 ZINC000263447662 620320035 /nfs/dbraw/zinc/32/00/35/620320035.db2.gz YIDFKBSBKUTXBH-BXKDBHETSA-N -1 3 287.281 3.158 20 0 CGADHM CC1(C)CCC[C@@H](CNCc2c(F)ccc([O-])c2F)O1 ZINC000898049430 620465114 /nfs/dbraw/zinc/46/51/14/620465114.db2.gz ZUKSQOAJKCTVCT-JTQLQIEISA-N -1 3 285.334 3.108 20 0 CGADHM CCCCC[C@@H](C)CC(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898216051 620488785 /nfs/dbraw/zinc/48/87/85/620488785.db2.gz LYKXESLPQKADLP-CHWSQXEVSA-N -1 3 293.411 3.038 20 0 CGADHM CCCCCC[C@H](C)CC(=O)NCc1nc(C)cc(=O)[n-]1 ZINC000898265872 620501440 /nfs/dbraw/zinc/50/14/40/620501440.db2.gz QSUHBPMKQSMYBL-LBPRGKRZSA-N -1 3 293.411 3.103 20 0 CGADHM COCCO[C@H](C)c1nnc([N-][C@H](C)c2cccs2)o1 ZINC000901408777 620878260 /nfs/dbraw/zinc/87/82/60/620878260.db2.gz GVARIHSENKTOOB-NXEZZACHSA-N -1 3 297.380 3.028 20 0 CGADHM O=C([O-])CC1CCN(Cc2cc3cc(F)ccc3o2)CC1 ZINC000901419063 620881990 /nfs/dbraw/zinc/88/19/90/620881990.db2.gz UYOKTWSIVNBMEX-UHFFFAOYSA-N -1 3 291.322 3.259 20 0 CGADHM CC(C)CN(CCC(=O)[O-])Cc1ncc(C(C)C)s1 ZINC000901593896 620941511 /nfs/dbraw/zinc/94/15/11/620941511.db2.gz AXNYSXYMJORHOT-UHFFFAOYSA-N -1 3 284.425 3.199 20 0 CGADHM C[C@H](CN(Cc1ccoc1)Cc1ccccc1)C(=O)[O-] ZINC000901581433 620946031 /nfs/dbraw/zinc/94/60/31/620946031.db2.gz UNWQOJQAEQGCED-CYBMUJFWSA-N -1 3 273.332 3.003 20 0 CGADHM CCN(CCC(=O)[O-])Cc1cnc(-c2cccs2)s1 ZINC000901601830 620949259 /nfs/dbraw/zinc/94/92/59/620949259.db2.gz LPMGDDXMXCFJBB-UHFFFAOYSA-N -1 3 296.417 3.168 20 0 CGADHM CC(C)(C)c1cnc(CNC(C)(C)CCC(=O)[O-])s1 ZINC000901661354 620970712 /nfs/dbraw/zinc/97/07/12/620970712.db2.gz IGMGQHUNVLOBEU-UHFFFAOYSA-N -1 3 284.425 3.174 20 0 CGADHM Cc1cc(C)cc(CN2CC3(CCC3)[C@](F)(C(=O)[O-])C2)c1 ZINC000901915603 621061867 /nfs/dbraw/zinc/06/18/67/621061867.db2.gz OXXIYPDSZUZCMP-QGZVFWFLSA-N -1 3 291.366 3.082 20 0 CGADHM CCCCOc1ccccc1CN(CCC(=O)[O-])C1CC1 ZINC000901971019 621084132 /nfs/dbraw/zinc/08/41/32/621084132.db2.gz RHJAUDREDARNAW-UHFFFAOYSA-N -1 3 291.391 3.305 20 0 CGADHM CC(C)[C@@H](NCc1ccoc1C(=O)[O-])c1ccccc1 ZINC000902081585 621129605 /nfs/dbraw/zinc/12/96/05/621129605.db2.gz IJGXNHJKNVVMOM-CQSZACIVSA-N -1 3 273.332 3.465 20 0 CGADHM Cc1csc(CN[C@@H](C)CCCC(C)(C)C(=O)[O-])n1 ZINC000902085488 621140130 /nfs/dbraw/zinc/14/01/30/621140130.db2.gz AEMIWPQIKNQSHM-JTQLQIEISA-N -1 3 284.425 3.211 20 0 CGADHM CCN(C)Cc1ccccc1OCc1ccc(C(=O)[O-])cc1 ZINC000902094263 621144216 /nfs/dbraw/zinc/14/42/16/621144216.db2.gz DBJRFEKRQDHVRF-UHFFFAOYSA-N -1 3 299.370 3.416 20 0 CGADHM C[C@H]1CCCC[C@H]1OCCNCc1csc(C(=O)[O-])c1 ZINC000902123514 621161744 /nfs/dbraw/zinc/16/17/44/621161744.db2.gz WQOUBFVNBWLHGI-WCQYABFASA-N -1 3 297.420 3.131 20 0 CGADHM O=C(CCCc1ccccc1)[N-]OC1CC2(CCC2)C1 ZINC000902241303 621206979 /nfs/dbraw/zinc/20/69/79/621206979.db2.gz YLMIKBHEIVXZSH-UHFFFAOYSA-N -1 3 273.376 3.390 20 0 CGADHM O=C([O-])/C=C\c1ccc(CN[C@@H]2CCCC(F)(F)C2)o1 ZINC000902306760 621247490 /nfs/dbraw/zinc/24/74/90/621247490.db2.gz DMDVAKKXERQSRQ-WWQCOOJYSA-N -1 3 285.290 3.045 20 0 CGADHM Cc1cc(=O)[n-]c(CSCCCC(C)(F)F)n1 ZINC000902344278 621256587 /nfs/dbraw/zinc/25/65/87/621256587.db2.gz XCHVVFWVFAQFBZ-UHFFFAOYSA-N -1 3 262.325 3.159 20 0 CGADHM Cc1oc(C(=O)[O-])cc1CN1CC(Cc2cccc(C)c2)C1 ZINC000902463936 621337467 /nfs/dbraw/zinc/33/74/67/621337467.db2.gz DOKUVNNEMDNASS-UHFFFAOYSA-N -1 3 299.370 3.269 20 0 CGADHM CC[C@@H](c1ccncc1)N(C)Cc1ccc(C(=O)[O-])s1 ZINC000903688417 621785772 /nfs/dbraw/zinc/78/57/72/621785772.db2.gz YERMGDIHSRDHSE-ZDUSSCGKSA-N -1 3 290.388 3.424 20 0 CGADHM Cc1cccc([C@@H](CC(=O)[O-])NCc2ccsc2)c1 ZINC000904043282 621858461 /nfs/dbraw/zinc/85/84/61/621858461.db2.gz RFZJDRHEWOTHKP-CQSZACIVSA-N -1 3 275.373 3.362 20 0 CGADHM O=C([O-])N[C@@H]1C[C@@H](NCc2ccccc2Cl)C12CCC2 ZINC000904203366 621889031 /nfs/dbraw/zinc/88/90/31/621889031.db2.gz JVMGNKYKVUGXGP-CHWSQXEVSA-N -1 3 294.782 3.008 20 0 CGADHM CC[C@@]1(C(=O)[O-])CCCN(Cc2cnc(Cl)c(C)c2)C1 ZINC000904402651 621918173 /nfs/dbraw/zinc/91/81/73/621918173.db2.gz ZCRNSEYUYORCIY-OAHLLOKOSA-N -1 3 296.798 3.120 20 0 CGADHM CC(C)(C)CCc1noc(-c2cc(=O)[n-]c(C3CC3)n2)n1 ZINC000906115313 622152875 /nfs/dbraw/zinc/15/28/75/622152875.db2.gz ITQNWSVWYNLQSH-UHFFFAOYSA-N -1 3 288.351 3.088 20 0 CGADHM O=C([N-][C@]12C[C@H]1CCC2)C(F)(F)c1cc(F)cc(F)c1 ZINC000906464594 622239321 /nfs/dbraw/zinc/23/93/21/622239321.db2.gz LAEBIAZCPCYVBA-AMIZOPFISA-N -1 3 287.256 3.115 20 0 CGADHM CCc1cccc(C(=O)N2CCC[C@H]2C(F)(F)F)c1[O-] ZINC000913020127 622727165 /nfs/dbraw/zinc/72/71/65/622727165.db2.gz QBVPCMMNBDHESP-NSHDSACASA-N -1 3 287.281 3.122 20 0 CGADHM O=C(OCCc1ccccc1)c1cc(-c2ccco2)[n-]n1 ZINC000913302362 622756568 /nfs/dbraw/zinc/75/65/68/622756568.db2.gz XQCVUVMOYSYIIX-UHFFFAOYSA-N -1 3 282.299 3.069 20 0 CGADHM O=C(OCCc1ccccc1)c1cc(-c2ccco2)n[n-]1 ZINC000913302362 622756577 /nfs/dbraw/zinc/75/65/77/622756577.db2.gz XQCVUVMOYSYIIX-UHFFFAOYSA-N -1 3 282.299 3.069 20 0 CGADHM O=C(CCC1CCCCC1)Nc1ccccc1-c1nnn[n-]1 ZINC000913357194 622762298 /nfs/dbraw/zinc/76/22/98/622762298.db2.gz DMFBYEVVQAZFRC-UHFFFAOYSA-N -1 3 299.378 3.166 20 0 CGADHM O=C(CCC1CCCCC1)Nc1ccccc1-c1nn[n-]n1 ZINC000913357194 622762303 /nfs/dbraw/zinc/76/23/03/622762303.db2.gz DMFBYEVVQAZFRC-UHFFFAOYSA-N -1 3 299.378 3.166 20 0 CGADHM COc1cccc(C(=O)Nc2cnc(Cl)cc2C)c1[O-] ZINC000151673347 623556379 /nfs/dbraw/zinc/55/63/79/623556379.db2.gz UUAYRCRYYNTMSP-UHFFFAOYSA-N -1 3 292.722 3.010 20 0 CGADHM CC(C)CO[N-]C(=O)CCc1ccc2ccccc2c1 ZINC000153559365 623952018 /nfs/dbraw/zinc/95/20/18/623952018.db2.gz WXAZGCWUQAJXKY-UHFFFAOYSA-N -1 3 271.360 3.476 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2ccc(O)cc2F)c1 ZINC000124544128 634387696 /nfs/dbraw/zinc/38/76/96/634387696.db2.gz STIPBCMONQACIK-UHFFFAOYSA-N -1 3 275.279 3.052 20 0 CGADHM COc1ccc([C@@H](C)CC(=O)[N-]OCc2ccccc2)cc1 ZINC000175072137 624612515 /nfs/dbraw/zinc/61/25/15/624612515.db2.gz ODDAJMOIJGPRHO-AWEZNQCLSA-N -1 3 299.370 3.437 20 0 CGADHM Cc1ccc(C(=O)Nc2cccc(N(C)C)c2C)c([O-])c1 ZINC000182946371 625037072 /nfs/dbraw/zinc/03/70/72/625037072.db2.gz RZWVBUWELYYSAT-UHFFFAOYSA-N -1 3 284.359 3.327 20 0 CGADHM [O-]c1ccc(CNCc2c(Cl)n[nH]c2C2CC2)cc1F ZINC000921765911 625868930 /nfs/dbraw/zinc/86/89/30/625868930.db2.gz QFGWYVAFDPJAMH-UHFFFAOYSA-N -1 3 295.745 3.075 20 0 CGADHM [O-]c1cccc(CNC2([C@@H]3CCCCO3)CC2)c1Cl ZINC000923027431 626122338 /nfs/dbraw/zinc/12/23/38/626122338.db2.gz CXHRCTMTZKYPHD-ZDUSSCGKSA-N -1 3 281.783 3.237 20 0 CGADHM CC[C@@]1(C(=O)[O-])CCCN(Cc2ccc(C)nc2Cl)C1 ZINC000923470004 626155903 /nfs/dbraw/zinc/15/59/03/626155903.db2.gz MBHHFKQNQSZQMX-OAHLLOKOSA-N -1 3 296.798 3.120 20 0 CGADHM Nc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)c([O-])c1 ZINC000750934091 626369655 /nfs/dbraw/zinc/36/96/55/626369655.db2.gz HZDQQOBWKQVXNP-UHFFFAOYSA-N -1 3 280.686 3.019 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2nc(Cl)ccc2Cl)n1 ZINC000753472166 626452396 /nfs/dbraw/zinc/45/23/96/626452396.db2.gz YRNPRVMJXHFFLP-UHFFFAOYSA-N -1 3 298.129 3.050 20 0 CGADHM O=C([N-]Cc1ccc(C2CCC2)cc1)C(F)(F)C(F)F ZINC000756776049 626731466 /nfs/dbraw/zinc/73/14/66/626731466.db2.gz VKQJMDSELWXSIG-UHFFFAOYSA-N -1 3 289.272 3.471 20 0 CGADHM CCCCCCO[C@H](C)C(=O)NCc1ccc([O-])c(F)c1 ZINC000839688761 626775413 /nfs/dbraw/zinc/77/54/13/626775413.db2.gz VYQWLCRANXFGJT-GFCCVEGCSA-N -1 3 297.370 3.133 20 0 CGADHM Cc1cc(=O)[n-]c(CSc2cc(F)ccc2F)n1 ZINC000761860502 627067756 /nfs/dbraw/zinc/06/77/56/627067756.db2.gz KZYVHSBRLBZKTO-UHFFFAOYSA-N -1 3 268.288 3.061 20 0 CGADHM Cc1cc(=O)[n-]c(CSCCCc2ccccc2)n1 ZINC000761867408 627069369 /nfs/dbraw/zinc/06/93/69/627069369.db2.gz YKWRQZXYISARCK-UHFFFAOYSA-N -1 3 274.389 3.357 20 0 CGADHM O=C(/C=C\c1ccccc1F)Nc1cccc([O-])c1F ZINC000762313721 627104962 /nfs/dbraw/zinc/10/49/62/627104962.db2.gz VLUIKDZYAQVOEW-HJWRWDBZSA-N -1 3 275.254 3.322 20 0 CGADHM C/C(=C\C(=O)Nc1cccc([O-])c1F)C(C)(C)C ZINC000762316544 627105062 /nfs/dbraw/zinc/10/50/62/627105062.db2.gz GDXKSLHEZFHTAP-CMDGGOBGSA-N -1 3 251.301 3.462 20 0 CGADHM CCCC[C@H](OC(=O)c1cc2ccsc2[n-]1)C(=O)OC ZINC000762772426 627123444 /nfs/dbraw/zinc/12/34/44/627123444.db2.gz QDTKEJUOXVVXGH-NSHDSACASA-N -1 3 295.360 3.118 20 0 CGADHM C/C(=C/C(=O)[N-]OCC(F)(F)F)c1cccc(Cl)c1 ZINC000766769417 627359393 /nfs/dbraw/zinc/35/93/93/627359393.db2.gz WNQKHMNOGNMPHK-YVMONPNESA-N -1 3 293.672 3.353 20 0 CGADHM Cc1nccnc1[C@H](C)NC(=O)c1ccc(C(C)C)cc1[O-] ZINC000874662800 634585414 /nfs/dbraw/zinc/58/54/14/634585414.db2.gz QWJWTCBZHJMBJH-LBPRGKRZSA-N -1 3 299.374 3.105 20 0 CGADHM O=C(O[C@H]1Cc2ccccc2C1=O)c1cc2ccsc2[n-]1 ZINC000769963505 627592636 /nfs/dbraw/zinc/59/26/36/627592636.db2.gz BDCJFYRXJHAGCD-ZDUSSCGKSA-N -1 3 297.335 3.194 20 0 CGADHM O=C(C[C@@H]1CCc2ccccc21)[N-]OC1CCCC1 ZINC000774867266 628044567 /nfs/dbraw/zinc/04/45/67/628044567.db2.gz HGEKXYZVPWAKCZ-ZDUSSCGKSA-N -1 3 259.349 3.097 20 0 CGADHM C[C@]1(C(=O)[N-]OC2CCCC2)CCc2ccccc2C1 ZINC000775277050 628077301 /nfs/dbraw/zinc/07/73/01/628077301.db2.gz YOABPKKJAWHZJF-KRWDZBQOSA-N -1 3 273.376 3.172 20 0 CGADHM O=C(CCCc1ccsc1)[N-]OCCC(F)(F)F ZINC000777974016 628317376 /nfs/dbraw/zinc/31/73/76/628317376.db2.gz ZTCKZYLJTDCXSW-UHFFFAOYSA-N -1 3 281.299 3.071 20 0 CGADHM CCC(CC)(CC)C(=O)[N-]OCCC(F)(F)F ZINC000779328587 628408108 /nfs/dbraw/zinc/40/81/08/628408108.db2.gz ULVGETYTMWJMNZ-UHFFFAOYSA-N -1 3 255.280 3.203 20 0 CGADHM O=C1[N-]C(=O)C(=Cc2cc(Cl)ccc2Cl)S1 ZINC000874929195 634653688 /nfs/dbraw/zinc/65/36/88/634653688.db2.gz VUYFHXYDUFOZOJ-XBXARRHUSA-N -1 3 274.128 3.317 20 0 CGADHM C[C@H]1C[C@@H](CO[N-]C(=O)CCC2CCCCC2)CCO1 ZINC000783025959 628673492 /nfs/dbraw/zinc/67/34/92/628673492.db2.gz CNEHBOTVLAQIIR-ZFWWWQNUSA-N -1 3 283.412 3.210 20 0 CGADHM O=C([N-][C@H]1CC[C@H](Cc2ccccc2)C1)C(F)(F)F ZINC000783850819 628751178 /nfs/dbraw/zinc/75/11/78/628751178.db2.gz ORTPTFRDDVUQQY-NEPJUHHUSA-N -1 3 271.282 3.076 20 0 CGADHM CC(C)c1noc([C@H](C)OC(=O)c2cc3occc3[n-]2)n1 ZINC000786031640 628908651 /nfs/dbraw/zinc/90/86/51/628908651.db2.gz NKHXJFUUKYQVEG-QMMMGPOBSA-N -1 3 289.291 3.185 20 0 CGADHM CC(C)(C)OC(=O)CCCOC(=O)c1cc2occc2[n-]1 ZINC000786030568 628908671 /nfs/dbraw/zinc/90/86/71/628908671.db2.gz SLMFUMIBSCPQPI-UHFFFAOYSA-N -1 3 293.319 3.040 20 0 CGADHM CC(=O)CCCOC(=O)c1cc2sccc2c([O-])c1 ZINC000786140987 628916251 /nfs/dbraw/zinc/91/62/51/628916251.db2.gz UXKSSBWUBWQARD-UHFFFAOYSA-N -1 3 278.329 3.133 20 0 CGADHM O=C(CCCc1ccc([O-])c(F)c1)OCc1nccs1 ZINC000787841904 629032030 /nfs/dbraw/zinc/03/20/30/629032030.db2.gz BVQDKUMQYOSZAA-UHFFFAOYSA-N -1 3 295.335 3.054 20 0 CGADHM CCCCOC(=O)CCCc1ccc([O-])c(F)c1 ZINC000787844321 629032806 /nfs/dbraw/zinc/03/28/06/629032806.db2.gz JCRMDBVMNQUKPB-UHFFFAOYSA-N -1 3 254.301 3.197 20 0 CGADHM CCn1cc(NC(=O)c2cc3sccc3c([O-])c2)cn1 ZINC000788280569 629044759 /nfs/dbraw/zinc/04/47/59/629044759.db2.gz MQLRXDKVAVCIHS-UHFFFAOYSA-N -1 3 287.344 3.076 20 0 CGADHM C/C=C(\CC)C(=O)Oc1cccc(-c2nc(C)cc(=O)[n-]2)c1 ZINC000789385173 629129383 /nfs/dbraw/zinc/12/93/83/629129383.db2.gz XLPLTEGKFWDNKG-UUILKARUSA-N -1 3 298.342 3.419 20 0 CGADHM O=C([N-]OCCC(F)(F)F)C12CC(c3ccccc3)(C1)C2 ZINC000790929411 629241628 /nfs/dbraw/zinc/24/16/28/629241628.db2.gz SSOLMLCEPNDELL-UHFFFAOYSA-N -1 3 299.292 3.109 20 0 CGADHM CCCCCC[C@@H](CC)CN(C)C(=O)c1cc(=O)[n-]cn1 ZINC000862231252 629327081 /nfs/dbraw/zinc/32/70/81/629327081.db2.gz NDZJJABUPNWZDU-CYBMUJFWSA-N -1 3 293.411 3.251 20 0 CGADHM CN(C)c1cccc(CCC(=O)[N-]OC2CCCCC2)c1 ZINC000792338853 629357740 /nfs/dbraw/zinc/35/77/40/629357740.db2.gz OHGVAVVXSDACPZ-UHFFFAOYSA-N -1 3 290.407 3.066 20 0 CGADHM C[C@@H]1CN(Cc2c(F)ccc([O-])c2F)C[C@@H](C)C1(F)F ZINC000862438419 629372222 /nfs/dbraw/zinc/37/22/22/629372222.db2.gz AUJISQDWLPWGFM-RKDXNWHRSA-N -1 3 291.288 3.394 20 0 CGADHM CCCCC[C@@H](C)CC(=O)Nc1cnc(C(=O)OCC)[n-]1 ZINC000793957270 629509094 /nfs/dbraw/zinc/50/90/94/629509094.db2.gz ARMCSPWDNLJOLS-LLVKDONJSA-N -1 3 295.383 3.131 20 0 CGADHM CCCCC[C@@H](C)CC(=O)Nc1c[n-]c(C(=O)OCC)n1 ZINC000793957270 629509097 /nfs/dbraw/zinc/50/90/97/629509097.db2.gz ARMCSPWDNLJOLS-LLVKDONJSA-N -1 3 295.383 3.131 20 0 CGADHM CSCCO[N-]C(=O)C[C@H]1C[C@H](C)CC(C)(C)C1 ZINC000794188355 629519992 /nfs/dbraw/zinc/51/99/92/629519992.db2.gz OTVVURHFQOFTBY-NWDGAFQWSA-N -1 3 273.442 3.250 20 0 CGADHM CSCCO[N-]C(=O)C1(Cc2ccc(Cl)cc2)CC1 ZINC000794189671 629521198 /nfs/dbraw/zinc/52/11/98/629521198.db2.gz GKDCMSBDPXBUDK-UHFFFAOYSA-N -1 3 299.823 3.074 20 0 CGADHM O=c1ccnc(C=Cc2cscc2Br)[n-]1 ZINC000794698569 629568820 /nfs/dbraw/zinc/56/88/20/629568820.db2.gz AAYXMDRQAPVDRP-OWOJBTEDSA-N -1 3 283.150 3.177 20 0 CGADHM C/C(=C/CN1CCc2cc(C(F)(F)F)ccc2C1)C(=O)[O-] ZINC000863474137 629580713 /nfs/dbraw/zinc/58/07/13/629580713.db2.gz JPGGOTVKIYUYJJ-WMZJFQQLSA-N -1 3 299.292 3.094 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)Cc1ccccc1OC(C)C ZINC000794840935 629587011 /nfs/dbraw/zinc/58/70/11/629587011.db2.gz AYDXFRFYIPOOMZ-CYBMUJFWSA-N -1 3 279.380 3.110 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)C[C@H](C)c1cccc(OC)c1 ZINC000794850449 629587837 /nfs/dbraw/zinc/58/78/37/629587837.db2.gz DCTUJBONCHMMTM-STQMWFEESA-N -1 3 279.380 3.283 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)C[C@H]1CCOc2ccccc21 ZINC000794871640 629592460 /nfs/dbraw/zinc/59/24/60/629592460.db2.gz RHJJVVPRPIDLAY-QWHCGFSZSA-N -1 3 277.364 3.037 20 0 CGADHM O=C(OC[C@H]1CCC[C@@H](O)C1)c1cc(Cl)c(Cl)[n-]1 ZINC000795313965 629659008 /nfs/dbraw/zinc/65/90/08/629659008.db2.gz PPLSBRVEVIOTDC-JGVFFNPUSA-N -1 3 292.162 3.029 20 0 CGADHM CC(C)(C(=O)COC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000795341878 629662713 /nfs/dbraw/zinc/66/27/13/629662713.db2.gz MBRAQJOLUDVNCY-UHFFFAOYSA-N -1 3 298.338 3.096 20 0 CGADHM CS[C@@H](C)[C@@H](C)OC(=O)c1cc(-c2ccc(C)o2)[n-]n1 ZINC000797188523 629904872 /nfs/dbraw/zinc/90/48/72/629904872.db2.gz RRWPRZHHNKCUDM-ZJUUUORDSA-N -1 3 294.376 3.275 20 0 CGADHM CS[C@@H](C)[C@@H](C)OC(=O)c1cc(-c2ccc(C)o2)n[n-]1 ZINC000797188523 629904875 /nfs/dbraw/zinc/90/48/75/629904875.db2.gz RRWPRZHHNKCUDM-ZJUUUORDSA-N -1 3 294.376 3.275 20 0 CGADHM O=C(C[C@H]1CCC(F)(F)C1)[N-]OCc1ccccc1 ZINC000797797883 629984548 /nfs/dbraw/zinc/98/45/48/629984548.db2.gz KPQXOIMLBHBQTP-GFCCVEGCSA-N -1 3 269.291 3.060 20 0 CGADHM Cc1cccc([C@@H](C)OC(=O)c2cc(F)cc3[n-]nnc32)c1 ZINC000800261955 630256538 /nfs/dbraw/zinc/25/65/38/630256538.db2.gz CYYYQRBIZBQSAC-SNVBAGLBSA-N -1 3 299.305 3.323 20 0 CGADHM Cc1cccc([C@@H](C)OC(=O)c2cc(F)cc3nn[n-]c32)c1 ZINC000800261955 630256542 /nfs/dbraw/zinc/25/65/42/630256542.db2.gz CYYYQRBIZBQSAC-SNVBAGLBSA-N -1 3 299.305 3.323 20 0 CGADHM Cc1cccc([C@@H](C)OC(=O)c2cc(F)cc3n[n-]nc32)c1 ZINC000800261955 630256543 /nfs/dbraw/zinc/25/65/43/630256543.db2.gz CYYYQRBIZBQSAC-SNVBAGLBSA-N -1 3 299.305 3.323 20 0 CGADHM CCc1cccc(COC(=O)c2cc(F)cc3[n-]nnc32)c1 ZINC000800258192 630256797 /nfs/dbraw/zinc/25/67/97/630256797.db2.gz RXSFACLINPDCJQ-UHFFFAOYSA-N -1 3 299.305 3.016 20 0 CGADHM CCc1cccc(COC(=O)c2cc(F)cc3nn[n-]c32)c1 ZINC000800258192 630256799 /nfs/dbraw/zinc/25/67/99/630256799.db2.gz RXSFACLINPDCJQ-UHFFFAOYSA-N -1 3 299.305 3.016 20 0 CGADHM CCc1cccc(COC(=O)c2cc(F)cc3n[n-]nc32)c1 ZINC000800258192 630256801 /nfs/dbraw/zinc/25/68/01/630256801.db2.gz RXSFACLINPDCJQ-UHFFFAOYSA-N -1 3 299.305 3.016 20 0 CGADHM CCCCCC[C@@](C)(CC)C(=O)[N-]OC(C)(C)CO ZINC000836804416 634806053 /nfs/dbraw/zinc/80/60/53/634806053.db2.gz YVTBZJJKWFPBGG-OAHLLOKOSA-N -1 3 273.417 3.192 20 0 CGADHM O=C(OCCCCF)c1cc(Cl)c(Cl)[n-]1 ZINC000803268858 630459271 /nfs/dbraw/zinc/45/92/71/630459271.db2.gz BETUJHIZFXKSLO-UHFFFAOYSA-N -1 3 254.088 3.228 20 0 CGADHM O=C(OCCCCF)c1cccc(Br)c1[O-] ZINC000803341229 630465798 /nfs/dbraw/zinc/46/57/98/630465798.db2.gz IPMNZDFHYWKBIP-UHFFFAOYSA-N -1 3 291.116 3.061 20 0 CGADHM COc1cccc2cc(C=Cc3nc(C)cc(=O)[n-]3)oc21 ZINC000806574425 630568466 /nfs/dbraw/zinc/56/84/66/630568466.db2.gz PEEAEDKNGPENLH-SREVYHEPSA-N -1 3 282.299 3.416 20 0 CGADHM CC(F)(F)C(=O)[N-]Cc1c(Cl)cccc1Cl ZINC000808460165 630647910 /nfs/dbraw/zinc/64/79/10/630647910.db2.gz SBLGPCBDUIWFBZ-UHFFFAOYSA-N -1 3 268.090 3.265 20 0 CGADHM CCC(=O)COC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000811393688 631061576 /nfs/dbraw/zinc/06/15/76/631061576.db2.gz COCAJNZQMRGQLL-UHFFFAOYSA-N -1 3 271.725 3.019 20 0 CGADHM O=C(CCCCC(=O)c1ccccc1)[N-]OC/C=C/Cl ZINC000812407345 631248587 /nfs/dbraw/zinc/24/85/87/631248587.db2.gz XBUMOHLIPLNSSN-IZZDOVSWSA-N -1 3 295.766 3.230 20 0 CGADHM CC(C)OCCO[N-]C(=O)CCCc1ccc(Cl)cc1 ZINC000812802702 631317330 /nfs/dbraw/zinc/31/73/30/631317330.db2.gz UIHMIRMUMHRVET-UHFFFAOYSA-N -1 3 299.798 3.136 20 0 CGADHM [O-]c1ccc(F)c(CN2CCC3(CCC3)CC2)c1F ZINC000816609288 632023511 /nfs/dbraw/zinc/02/35/11/632023511.db2.gz WQXIWVTXNYESJZ-UHFFFAOYSA-N -1 3 267.319 3.437 20 0 CGADHM CC(=O)c1cccc(NC(=O)/C=C2/CC[C@H](C)C2)c1[O-] ZINC000816621001 632026173 /nfs/dbraw/zinc/02/61/73/632026173.db2.gz UVHOEFODLOHZCI-JMZICWNOSA-N -1 3 273.332 3.280 20 0 CGADHM Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)[N-]OCC1CC1 ZINC000817335202 632124770 /nfs/dbraw/zinc/12/47/70/632124770.db2.gz YTGSOHYGELMUJX-TZMCWYRMSA-N -1 3 273.376 3.434 20 0 CGADHM C[C@@H](CCc1cccc(F)c1)C(=O)[N-]OCCC1CC1 ZINC000817441987 632159394 /nfs/dbraw/zinc/15/93/94/632159394.db2.gz SJRSTHNPRZCOHL-LBPRGKRZSA-N -1 3 279.355 3.242 20 0 CGADHM CC[C@@H](C)N(Cc1ccccc1)C(=O)c1ccc(N)cc1[O-] ZINC000817908263 632233792 /nfs/dbraw/zinc/23/37/92/632233792.db2.gz QZYAXWPPJVUCQD-CYBMUJFWSA-N -1 3 298.386 3.415 20 0 CGADHM CCOC(=O)[N-]OCCc1cc(Cl)ccc1Cl ZINC000818106846 632288460 /nfs/dbraw/zinc/28/84/60/632288460.db2.gz HPRBUVIFHJSLCJ-UHFFFAOYSA-N -1 3 278.135 3.214 20 0 CGADHM CCOC([O-])=NOCCc1cc(Cl)ccc1Cl ZINC000818106846 632288457 /nfs/dbraw/zinc/28/84/57/632288457.db2.gz HPRBUVIFHJSLCJ-UHFFFAOYSA-N -1 3 278.135 3.214 20 0 CGADHM O=C([N-]c1cc(C2CC2)ccn1)c1ocnc1C(F)(F)F ZINC000823035112 633052046 /nfs/dbraw/zinc/05/20/46/633052046.db2.gz OMCMCDOQJGFCOS-UHFFFAOYSA-N -1 3 297.236 3.218 20 0 CGADHM Cc1cccc(C)c1NC=C1C(=O)[N-]C(=O)c2ccccc21 ZINC000016719611 633261575 /nfs/dbraw/zinc/26/15/75/633261575.db2.gz ANERXWPOYQEXJG-XNTDXEJSSA-N -1 3 292.338 3.026 20 0 CGADHM CCc1nc(C[N-]c2nc(-c3ccc(C)cc3)no2)co1 ZINC000829183872 633709728 /nfs/dbraw/zinc/70/97/28/633709728.db2.gz QCHCSKNPUKJWJQ-UHFFFAOYSA-N -1 3 284.319 3.208 20 0 CGADHM C/C(=C/C(=O)[N-]OCCCC(F)(F)F)c1ccco1 ZINC000871217336 633731713 /nfs/dbraw/zinc/73/17/13/633731713.db2.gz UJJXIOWYRFWLJT-HJWRWDBZSA-N -1 3 277.242 3.073 20 0 CGADHM CC(C)(C)CC(=O)[N-]OCc1c(Cl)cncc1Cl ZINC000871753724 633852406 /nfs/dbraw/zinc/85/24/06/633852406.db2.gz XLLUTCZHQQNKQT-UHFFFAOYSA-N -1 3 291.178 3.372 20 0 CGADHM CCC1(C(=O)[N-]OCC(F)(F)F)CCC(F)(F)CC1 ZINC000830448900 633863103 /nfs/dbraw/zinc/86/31/03/633863103.db2.gz QDUSXWKGSLNESC-UHFFFAOYSA-N -1 3 289.244 3.202 20 0 CGADHM C[C@@H](N[C@@H](C)c1cncc(F)c1)c1cccc([O-])c1F ZINC000872059907 633981406 /nfs/dbraw/zinc/98/14/06/633981406.db2.gz KOXLFIDTVMSFIF-VHSXEESVSA-N -1 3 278.302 3.477 20 0 CGADHM CCc1noc(C)c1CN[C@@H](C)c1cccc([O-])c1F ZINC000872073718 633995505 /nfs/dbraw/zinc/99/55/05/633995505.db2.gz QXJRJLDYQQSSJQ-VIFPVBQESA-N -1 3 278.327 3.241 20 0 CGADHM Cc1ccc(CN2CC[C@]3(C)[C@H](C2)C3(F)F)cc1C(=O)[O-] ZINC000872162564 634071872 /nfs/dbraw/zinc/07/18/72/634071872.db2.gz RPEHEVBCFYQCQL-DZGCQCFKSA-N -1 3 295.329 3.170 20 0 CGADHM CCn1ncc([N-]c2nc3cc(C)ccc3o2)c1C ZINC000872778294 634208252 /nfs/dbraw/zinc/20/82/52/634208252.db2.gz FQLVXWMQKLABGP-UHFFFAOYSA-N -1 3 256.309 3.405 20 0 CGADHM Cc1cccc([O-])c1C(=O)N[C@@H]1CCSC2(CCC2)C1 ZINC000834715688 634226930 /nfs/dbraw/zinc/22/69/30/634226930.db2.gz BSFIAXTUZWIFDR-GFCCVEGCSA-N -1 3 291.416 3.249 20 0 CGADHM CC[C@@H](OC(=O)c1cc2sccc2c([O-])c1)C(C)=O ZINC000873382600 634352263 /nfs/dbraw/zinc/35/22/63/634352263.db2.gz CAYGUFIQQCZZBF-GFCCVEGCSA-N -1 3 278.329 3.131 20 0 CGADHM CC(C)c1cccc(CC(=O)[N-]OCCC(F)(F)F)c1 ZINC000837549463 634932089 /nfs/dbraw/zinc/93/20/89/634932089.db2.gz JNYSGVAQCMOIHT-UHFFFAOYSA-N -1 3 289.297 3.353 20 0 CGADHM CC=C(C=CC(=O)OCc1cc(=O)[n-]c(C2CC2)n1)CC ZINC000837582553 634941763 /nfs/dbraw/zinc/94/17/63/634941763.db2.gz SMBSSHVJZPYWHE-GQHUZBHDSA-N -1 3 288.347 3.015 20 0 CGADHM CC1(C(=O)OCc2cc(=O)[n-]c(C3CC3)n2)CCCCC1 ZINC000837652196 634957992 /nfs/dbraw/zinc/95/79/92/634957992.db2.gz KPONOQBFLIBQQI-UHFFFAOYSA-N -1 3 290.363 3.073 20 0 CGADHM CCC[C@](C)(CC)C(=O)OCc1cc(=O)[n-]c(C2CC2)n1 ZINC000837696457 634968282 /nfs/dbraw/zinc/96/82/82/634968282.db2.gz AOWFGZAEKBNULU-INIZCTEOSA-N -1 3 292.379 3.319 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N[C@@H](C)c2cc3cnccc3o2)n1 ZINC000879715011 635841826 /nfs/dbraw/zinc/84/18/26/635841826.db2.gz NKERJYRZKMKDAP-QWRGUYRKSA-N -1 3 298.346 3.044 20 0 CGADHM CC1(C)C[C@H](NC(=O)c2cc([O-])ccc2Cl)CCS1 ZINC000888800692 635920362 /nfs/dbraw/zinc/92/03/62/635920362.db2.gz NPHPDDDNCXYBGA-SECBINFHSA-N -1 3 299.823 3.450 20 0 CGADHM Cc1cc([C@H]2CCCN2CCC(C)(C)CC(=O)[O-])no1 ZINC000846236648 636165046 /nfs/dbraw/zinc/16/50/46/636165046.db2.gz VTRKGAOOWGAAPC-CYBMUJFWSA-N -1 3 280.368 3.011 20 0 CGADHM CN(Cc1ccc(C(=O)[O-])cc1)Cc1ccc2c(c1)COC2 ZINC000846264233 636170611 /nfs/dbraw/zinc/17/06/11/636170611.db2.gz UNNLGTAUZZEQEX-UHFFFAOYSA-N -1 3 297.354 3.047 20 0 CGADHM CCOC(=O)c1c(C)[n-]c(=O)nc1S[C@@H](C)CC(C)C ZINC000882292486 636303739 /nfs/dbraw/zinc/30/37/39/636303739.db2.gz FQOMQINSDITBES-VIFPVBQESA-N -1 3 298.408 3.194 20 0 CGADHM CCOC1CC(CC(=O)Nc2c([O-])cccc2Cl)C1 ZINC000848139711 636533833 /nfs/dbraw/zinc/53/38/33/636533833.db2.gz BQCPXNNZZGUWMX-UHFFFAOYSA-N -1 3 283.755 3.189 20 0 CGADHM CC(C)n1ccc(CC(=O)Nc2c([O-])cccc2Cl)n1 ZINC000848139630 636533952 /nfs/dbraw/zinc/53/39/52/636533952.db2.gz ACVREEVZRISUHY-UHFFFAOYSA-N -1 3 293.754 3.004 20 0 CGADHM Cc1ccc(CO[N-]C(=O)CCC2CCCCC2)cn1 ZINC000848509827 636582318 /nfs/dbraw/zinc/58/23/18/636582318.db2.gz ZIRQYKDHWLDIST-UHFFFAOYSA-N -1 3 276.380 3.298 20 0 CGADHM CCc1nocc1COC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000848696726 636636935 /nfs/dbraw/zinc/63/69/35/636636935.db2.gz CGCBPLDGGAIUCJ-UHFFFAOYSA-N -1 3 289.118 3.229 20 0 CGADHM COc1ccc(C=Cc2nccc(=O)[n-]2)c2ccccc12 ZINC000131744532 636745725 /nfs/dbraw/zinc/74/57/25/636745725.db2.gz MQMFVNIVBFFXLU-VQHVLOKHSA-N -1 3 278.311 3.102 20 0 CGADHM CCCc1cc(=O)[n-]c(C(=Cc2cncc(OC)c2)CC)n1 ZINC000849248502 636780964 /nfs/dbraw/zinc/78/09/64/636780964.db2.gz TWYWIAIQNVDYRT-QPEQYQDCSA-N -1 3 299.374 3.077 20 0 CGADHM CC(C)=CCCOC(=O)c1ccc(N)c(Cl)c1[O-] ZINC000849816174 636885086 /nfs/dbraw/zinc/88/50/86/636885086.db2.gz IZEWAMPGVZUQHE-UHFFFAOYSA-N -1 3 269.728 3.141 20 0 CGADHM Nc1ccc(C(=O)N[C@H]2CCCC23CCCCC3)c([O-])c1 ZINC000852900828 637723264 /nfs/dbraw/zinc/72/32/64/637723264.db2.gz SORQJASLWXGDPV-HNNXBMFYSA-N -1 3 288.391 3.207 20 0 CGADHM CC(C)[C@@H](O)Cc1ccccc1-c1ccc(=O)[n-]c1F ZINC000854188978 638011728 /nfs/dbraw/zinc/01/17/28/638011728.db2.gz FWRBEHDXZLFOAQ-AWEZNQCLSA-N -1 3 275.323 3.153 20 0 CGADHM O=C(CCC[C@@H](O)c1ccccc1)[N-]OCc1ccccc1 ZINC000854289979 638038365 /nfs/dbraw/zinc/03/83/65/638038365.db2.gz ORTQTRIWUZXFGT-QGZVFWFLSA-N -1 3 299.370 3.138 20 0 CGADHM C[C@H]1C[C@@H]1c1ccc(CCC(=O)[N-]Oc2ccccc2)o1 ZINC000854538679 638069885 /nfs/dbraw/zinc/06/98/85/638069885.db2.gz MEHGSEFYUYJOBC-WFASDCNBSA-N -1 3 285.343 3.446 20 0 CGADHM CC(C)N1CCC[C@H]1c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000924007415 638288088 /nfs/dbraw/zinc/28/80/88/638288088.db2.gz NAFQMRGIJFLVDV-LBPRGKRZSA-N -1 3 291.326 3.127 20 0 CGADHM Cc1ccc(C(=O)CCC(=O)[N-]OCC2CCC2)cc1C ZINC000856343793 638346250 /nfs/dbraw/zinc/34/62/50/638346250.db2.gz ZRTZRYNGTONBCP-UHFFFAOYSA-N -1 3 289.375 3.114 20 0 CGADHM O=C(CC/C=C/c1ccccc1)[N-]OCC1CCC1 ZINC000856349686 638350257 /nfs/dbraw/zinc/35/02/57/638350257.db2.gz SKEUJJGPSASQOX-RUDMXATFSA-N -1 3 259.349 3.328 20 0 CGADHM Cc1ccc(C(=O)NCC[C@H]2CC2(Cl)Cl)c([O-])c1 ZINC000857372514 638498821 /nfs/dbraw/zinc/49/88/21/638498821.db2.gz UKNMTWVVNNVTPM-VIFPVBQESA-N -1 3 288.174 3.014 20 0 CGADHM C[C@@H](N[C@H]1CCCC1(F)F)c1cc([O-])cc(F)c1 ZINC000926428245 638770675 /nfs/dbraw/zinc/77/06/75/638770675.db2.gz IPRIDRIRKUNSGY-PELKAZGASA-N -1 3 259.271 3.370 20 0 CGADHM CCCc1ncc(CN[C@H](C)c2cc([O-])cc(F)c2)o1 ZINC000926537312 638782636 /nfs/dbraw/zinc/78/26/36/638782636.db2.gz KLTJPZXOBGRQCC-SNVBAGLBSA-N -1 3 278.327 3.323 20 0 CGADHM C[C@@H]1C[C@@H]1COC(=O)CCCc1ccc([O-])c(F)c1 ZINC000859648966 639183310 /nfs/dbraw/zinc/18/33/10/639183310.db2.gz NXGLRRYTKANMQQ-ZYHUDNBSSA-N -1 3 266.312 3.053 20 0 CGADHM O=C([N-]OC/C=C/Cl)[C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21 ZINC000861783742 639614264 /nfs/dbraw/zinc/61/42/64/639614264.db2.gz YWSJDYLWUPPFKN-UWVJRKPCSA-N -1 3 298.169 3.026 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])[C@]12CCO[C@H]1CCCC2 ZINC000935016525 639731662 /nfs/dbraw/zinc/73/16/62/639731662.db2.gz KLDXFGJILJPGDC-DZGCQCFKSA-N -1 3 295.766 3.333 20 0 CGADHM O=C(Nc1cccc([O-])c1F)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000935134941 639753598 /nfs/dbraw/zinc/75/35/98/639753598.db2.gz OAOGSJIDNMODSY-GARJFASQSA-N -1 3 263.312 3.296 20 0 CGADHM O=C([N-]c1nnc(C2CCCCC2)s1)c1cscn1 ZINC000096756894 640836850 /nfs/dbraw/zinc/83/68/50/640836850.db2.gz DWNOZNFNBQPJPT-UHFFFAOYSA-N -1 3 294.405 3.295 20 0 CGADHM CCCn1c2cc(OC)ccc2nc1-c1ccncc1[O-] ZINC001250856916 805787801 /nfs/dbraw/zinc/78/78/01/805787801.db2.gz AARIGBNXYPLEML-UHFFFAOYSA-N -1 3 283.331 3.223 20 0 CGADHM [O-]c1cnccc1-c1nc2cc(-c3ccncc3)ccc2[nH]1 ZINC001250858282 805790015 /nfs/dbraw/zinc/79/00/15/805790015.db2.gz UBECGNWRRVCKGU-UHFFFAOYSA-N -1 3 288.310 3.393 20 0 CGADHM [O-]c1cnccc1-c1nc2ccc(-c3ccncc3)cc2[nH]1 ZINC001250858282 805790019 /nfs/dbraw/zinc/79/00/19/805790019.db2.gz UBECGNWRRVCKGU-UHFFFAOYSA-N -1 3 288.310 3.393 20 0 CGADHM CC1(C)C[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC001251374888 805888108 /nfs/dbraw/zinc/88/81/08/805888108.db2.gz PFVDWLFPMZHVPR-SNVBAGLBSA-N -1 3 294.203 3.070 20 0 CGADHM Cc1coc(-c2nc3c(cc(F)cc3Cl)[n-]2)n1 ZINC001251638764 805914986 /nfs/dbraw/zinc/91/49/86/805914986.db2.gz PODDVQMDNXGALZ-UHFFFAOYSA-N -1 3 251.648 3.319 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-]c2cccc3c2CCC3)cc1 ZINC001252074661 805982179 /nfs/dbraw/zinc/98/21/79/805982179.db2.gz DJCMDUFLTLABMM-UHFFFAOYSA-N -1 3 287.384 3.285 20 0 CGADHM O=C(Nc1c([O-])cccc1Cl)c1ncoc1C1CC1 ZINC001159658162 806142727 /nfs/dbraw/zinc/14/27/27/806142727.db2.gz QTXNXAUMZNDCRU-UHFFFAOYSA-N -1 3 278.695 3.163 20 0 CGADHM CCc1ccc(-c2nnc(-c3cc(O)ccc3[O-])o2)cc1 ZINC001253021441 806155509 /nfs/dbraw/zinc/15/55/09/806155509.db2.gz QFUQKKKHUFJDHP-UHFFFAOYSA-N -1 3 282.299 3.377 20 0 CGADHM Cc1csc(-c2cn(-c3ccc(Cl)cc3[O-])nn2)n1 ZINC001254165111 806356868 /nfs/dbraw/zinc/35/68/68/806356868.db2.gz MAKDDFPGLIELRB-UHFFFAOYSA-N -1 3 292.751 3.058 20 0 CGADHM CCC[C@H]1CCCC[C@H]1CNC(=O)c1ccc(O)cc1[O-] ZINC001161843948 806469420 /nfs/dbraw/zinc/46/94/20/806469420.db2.gz NRLUHQMTNIKLKI-STQMWFEESA-N -1 3 291.391 3.434 20 0 CGADHM Cc1ccc(NC[C@@H]2CCCC[C@H]2C)cc1-c1nnn[n-]1 ZINC001162529488 806613476 /nfs/dbraw/zinc/61/34/76/806613476.db2.gz AWPNQVJLIQFTFJ-YPMHNXCESA-N -1 3 285.395 3.413 20 0 CGADHM Cc1ccc(NC[C@@H]2CCCC[C@H]2C)cc1-c1nn[n-]n1 ZINC001162529488 806613480 /nfs/dbraw/zinc/61/34/80/806613480.db2.gz AWPNQVJLIQFTFJ-YPMHNXCESA-N -1 3 285.395 3.413 20 0 CGADHM [O-]c1ccc2ccccc2c1-c1nnc([C@@H]2CCOC2)o1 ZINC001255523998 806662497 /nfs/dbraw/zinc/66/24/97/806662497.db2.gz MQRUUWRULLZJNX-LLVKDONJSA-N -1 3 282.299 3.099 20 0 CGADHM O=C(Nc1ncccc1[O-])c1ccc2nc(Cl)ccc2c1 ZINC000126939918 799009959 /nfs/dbraw/zinc/00/99/59/799009959.db2.gz UTXPWQSENXCYIF-UHFFFAOYSA-N -1 3 299.717 3.241 20 0 CGADHM CCOc1ccccc1-c1noc(-c2cc(O)ccc2[O-])n1 ZINC000318212343 799245447 /nfs/dbraw/zinc/24/54/47/799245447.db2.gz SPKUBVZMPSPBIQ-UHFFFAOYSA-N -1 3 298.298 3.214 20 0 CGADHM Fc1ccc([S-])c(N[C@H]2CNCc3ccsc32)c1 ZINC001163230685 806731535 /nfs/dbraw/zinc/73/15/35/806731535.db2.gz QFKKBTAHAWAPKZ-NSHDSACASA-N -1 3 280.393 3.432 20 0 CGADHM CC1(CN2Cc3ccc(C(=O)[O-])cc3C2)CCCC1 ZINC000382196702 799394592 /nfs/dbraw/zinc/39/45/92/799394592.db2.gz YYSBRAPXPXZYFX-UHFFFAOYSA-N -1 3 259.349 3.281 20 0 CGADHM Cc1ccc(-c2nc(-c3cnc(C)cc3C)no2)c([O-])c1 ZINC000397373027 799516309 /nfs/dbraw/zinc/51/63/09/799516309.db2.gz OHLXERHBFCMTQI-UHFFFAOYSA-N -1 3 281.315 3.429 20 0 CGADHM CC(C)O[C@H]1CCN(Cc2cccc([O-])c2Cl)C1 ZINC000701722303 799893757 /nfs/dbraw/zinc/89/37/57/799893757.db2.gz PYGHURMPIAEUHK-LBPRGKRZSA-N -1 3 269.772 3.045 20 0 CGADHM Cc1ccc([C@@H](NC(=O)c2ccccc2[O-])C(F)(F)F)o1 ZINC001163677765 806799190 /nfs/dbraw/zinc/79/91/90/806799190.db2.gz MJIXTMKOFZUHOO-GFCCVEGCSA-N -1 3 299.248 3.327 20 0 CGADHM CC(C)Cc1nnc(-c2cc([O-])cc(Br)c2)o1 ZINC001256503345 806907416 /nfs/dbraw/zinc/90/74/16/806907416.db2.gz WGLCKFJYRFSNBD-UHFFFAOYSA-N -1 3 297.152 3.403 20 0 CGADHM C[C@H]1C[C@@H]1c1nnc(-c2cc([O-])ccc2Cl)o1 ZINC001256627828 806932557 /nfs/dbraw/zinc/93/25/57/806932557.db2.gz ZRMLXVCDJFDIDP-XPUUQOCRSA-N -1 3 250.685 3.219 20 0 CGADHM C[C@H]1C[C@H]1c1nnc(-c2cc([O-])ccc2Br)o1 ZINC001256760585 806972838 /nfs/dbraw/zinc/97/28/38/806972838.db2.gz JBMFOFLZDALGOV-POYBYMJQSA-N -1 3 295.136 3.328 20 0 CGADHM CC(C)NC(=S)Nc1c([O-])cccc1C(F)(F)F ZINC001200788740 811745411 /nfs/dbraw/zinc/74/54/11/811745411.db2.gz GDNHIZSKSKEDKG-UHFFFAOYSA-N -1 3 278.299 3.106 20 0 CGADHM Oc1cccc(Cl)c1-c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001244048956 803160797 /nfs/dbraw/zinc/16/07/97/803160797.db2.gz ZEDMVRYHNDPMEH-UHFFFAOYSA-N -1 3 290.685 3.032 20 0 CGADHM COc1c(C)cc(C)cc1-c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001244118128 803195757 /nfs/dbraw/zinc/19/57/57/803195757.db2.gz UCISGIWEHCBVGN-UHFFFAOYSA-N -1 3 298.321 3.298 20 0 CGADHM COc1c(C)cc(C)cc1-c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001244118128 803195763 /nfs/dbraw/zinc/19/57/63/803195763.db2.gz UCISGIWEHCBVGN-UHFFFAOYSA-N -1 3 298.321 3.298 20 0 CGADHM Fc1cc(C2CC2)ccc1-c1ccc(Cc2nnn[n-]2)cc1 ZINC001244124111 803198324 /nfs/dbraw/zinc/19/83/24/803198324.db2.gz UASBCLIJZVOMIG-UHFFFAOYSA-N -1 3 294.333 3.474 20 0 CGADHM Fc1cc(C2CC2)ccc1-c1ccc(Cc2nn[n-]n2)cc1 ZINC001244124111 803198326 /nfs/dbraw/zinc/19/83/26/803198326.db2.gz UASBCLIJZVOMIG-UHFFFAOYSA-N -1 3 294.333 3.474 20 0 CGADHM CCOc1cc(-c2ccc(F)c(-c3nnn[n-]3)c2)ccc1C ZINC001244442200 803367389 /nfs/dbraw/zinc/36/73/89/803367389.db2.gz OWWYZIRTPKLLAP-UHFFFAOYSA-N -1 3 298.321 3.380 20 0 CGADHM CCOc1cc(-c2ccc(F)c(-c3nn[n-]n3)c2)ccc1C ZINC001244442200 803367395 /nfs/dbraw/zinc/36/73/95/803367395.db2.gz OWWYZIRTPKLLAP-UHFFFAOYSA-N -1 3 298.321 3.380 20 0 CGADHM [O-]c1ccc(OC(F)(F)F)cc1-c1cccc(F)n1 ZINC001244455834 803378349 /nfs/dbraw/zinc/37/83/49/803378349.db2.gz ILEFDDWCDXILBN-UHFFFAOYSA-N -1 3 273.185 3.492 20 0 CGADHM Cc1cnc(-c2cc(OC(F)(F)F)ccc2[O-])c(N)c1 ZINC001244456255 803378954 /nfs/dbraw/zinc/37/89/54/803378954.db2.gz CPKJPABBSCHOED-UHFFFAOYSA-N -1 3 284.237 3.243 20 0 CGADHM CC(=O)Nc1ccc(-c2ccc(Cl)cc2[O-])cn1 ZINC001244469997 803385265 /nfs/dbraw/zinc/38/52/65/803385265.db2.gz UXZJEENKULWNGR-UHFFFAOYSA-N -1 3 262.696 3.066 20 0 CGADHM COc1nc(SC)ncc1-c1ccc(Cl)cc1[O-] ZINC001244469624 803385873 /nfs/dbraw/zinc/38/58/73/803385873.db2.gz MUISVVYQWPCKGS-UHFFFAOYSA-N -1 3 282.752 3.233 20 0 CGADHM CC1(c2ccc(-c3ccc(Cl)cc3[O-])cn2)OCCO1 ZINC001244471638 803387135 /nfs/dbraw/zinc/38/71/35/803387135.db2.gz JPWVCZJBMGVQPP-UHFFFAOYSA-N -1 3 291.734 3.327 20 0 CGADHM Cc1cc(-c2ncc3ccccc3n2)cc([O-])c1F ZINC001244496843 803403919 /nfs/dbraw/zinc/40/39/19/803403919.db2.gz WNLLBKWVBYUBQO-UHFFFAOYSA-N -1 3 254.264 3.450 20 0 CGADHM CCOC(=O)c1cc(C)cnc1-c1cc(C)c(F)c([O-])c1 ZINC001244506367 803409770 /nfs/dbraw/zinc/40/97/70/803409770.db2.gz OEJCKPQOOQTQES-UHFFFAOYSA-N -1 3 289.306 3.387 20 0 CGADHM Cc1cc(-c2ccnc(-c3cncs3)n2)cc([O-])c1F ZINC001244508205 803412001 /nfs/dbraw/zinc/41/20/01/803412001.db2.gz QDDIILDPCLKVDN-UHFFFAOYSA-N -1 3 287.319 3.420 20 0 CGADHM COc1cnc(F)cc1-c1cc(C)c(F)c([O-])c1 ZINC001244517934 803413580 /nfs/dbraw/zinc/41/35/80/803413580.db2.gz PFKIRMVGHUMEFO-UHFFFAOYSA-N -1 3 251.232 3.049 20 0 CGADHM Cc1cc(-c2ccc3c(c2)CNC(=O)C3(C)C)cc([O-])c1F ZINC001244524914 803417570 /nfs/dbraw/zinc/41/75/70/803417570.db2.gz ISISYZVMAFCVDY-UHFFFAOYSA-N -1 3 299.345 3.414 20 0 CGADHM Cc1cc(-c2cccc3c2CC(=O)NC3(C)C)cc([O-])c1F ZINC001244524967 803417671 /nfs/dbraw/zinc/41/76/71/803417671.db2.gz JUKKPDYEANQRQH-UHFFFAOYSA-N -1 3 299.345 3.414 20 0 CGADHM Cc1cc(-c2ccn(-c3ccccn3)c(=O)c2)cc([O-])c1F ZINC001244524808 803417921 /nfs/dbraw/zinc/41/79/21/803417921.db2.gz GGPLNALFCNAVHN-UHFFFAOYSA-N -1 3 296.301 3.053 20 0 CGADHM CNC(=O)c1ccccc1-c1cc(C)c([O-])c(Cl)c1 ZINC001244537122 803423850 /nfs/dbraw/zinc/42/38/50/803423850.db2.gz HCFUIATVHPWXCG-UHFFFAOYSA-N -1 3 275.735 3.381 20 0 CGADHM COCCOc1ccc(-c2cc(C)c([O-])c(Cl)c2)cn1 ZINC001244553152 803434569 /nfs/dbraw/zinc/43/45/69/803434569.db2.gz DWJNQKRZWUWLDV-UHFFFAOYSA-N -1 3 293.750 3.441 20 0 CGADHM Cc1cc(Cl)ncc1-c1ccc(-c2nnn[n-]2)cc1C ZINC001244917913 803576674 /nfs/dbraw/zinc/57/66/74/803576674.db2.gz CAKNKEFXFIZRAO-UHFFFAOYSA-N -1 3 285.738 3.199 20 0 CGADHM Cc1cc(Cl)ncc1-c1ccc(-c2nn[n-]n2)cc1C ZINC001244917913 803576677 /nfs/dbraw/zinc/57/66/77/803576677.db2.gz CAKNKEFXFIZRAO-UHFFFAOYSA-N -1 3 285.738 3.199 20 0 CGADHM CCN(CC)c1ncc(-c2cc(Cl)ccc2[O-])cn1 ZINC001245054198 803624148 /nfs/dbraw/zinc/62/41/48/803624148.db2.gz CDYAEFMYRZINHF-UHFFFAOYSA-N -1 3 277.755 3.349 20 0 CGADHM O=c1ccc(-c2cc(Cl)ccc2[O-])nn1CC1CCC1 ZINC001245052100 803624252 /nfs/dbraw/zinc/62/42/52/803624252.db2.gz AIXPYCHSQYJXTK-UHFFFAOYSA-N -1 3 290.750 3.069 20 0 CGADHM Oc1ccc(Cl)cc1-c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001245055591 803624643 /nfs/dbraw/zinc/62/46/43/803624643.db2.gz SFWUSKCFECBIBO-UHFFFAOYSA-N -1 3 290.685 3.032 20 0 CGADHM Oc1ccc(Cl)cc1-c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001245055591 803624646 /nfs/dbraw/zinc/62/46/46/803624646.db2.gz SFWUSKCFECBIBO-UHFFFAOYSA-N -1 3 290.685 3.032 20 0 CGADHM COc1ccc(-c2cc(Cl)ccc2[O-])c(F)n1 ZINC001245056641 803624689 /nfs/dbraw/zinc/62/46/89/803624689.db2.gz JLEUGZSAYSTYLZ-UHFFFAOYSA-N -1 3 253.660 3.255 20 0 CGADHM COc1cc(-c2ccc([O-])cc2Cl)nc(SC)n1 ZINC001245080054 803635452 /nfs/dbraw/zinc/63/54/52/803635452.db2.gz XMQISEATYFNTQI-UHFFFAOYSA-N -1 3 282.752 3.233 20 0 CGADHM Cc1cccc([O-])c1C(=O)NCCO[C@H]1CCCC[C@H]1C ZINC001136266580 803638419 /nfs/dbraw/zinc/63/84/19/803638419.db2.gz VOIXGZQNIANIBQ-DOMZBBRYSA-N -1 3 291.391 3.026 20 0 CGADHM Cc1cccc2[nH]c(-c3ccc(-c4nnn[n-]4)cc3)cc21 ZINC001245342581 803704303 /nfs/dbraw/zinc/70/43/03/803704303.db2.gz MIQUWZZYZOYZFC-UHFFFAOYSA-N -1 3 275.315 3.323 20 0 CGADHM Cc1cccc2[nH]c(-c3ccc(-c4nn[n-]n4)cc3)cc21 ZINC001245342581 803704306 /nfs/dbraw/zinc/70/43/06/803704306.db2.gz MIQUWZZYZOYZFC-UHFFFAOYSA-N -1 3 275.315 3.323 20 0 CGADHM O=C(C/C=C\Cc1ccccc1)NCc1ccc([O-])c(F)c1 ZINC001137441628 803733403 /nfs/dbraw/zinc/73/34/03/803733403.db2.gz JMPNGHIDPABUDU-PLNGDYQASA-N -1 3 299.345 3.337 20 0 CGADHM Fc1ccc([S-])c(C2=CC[C@@H](N3CCOCC3)CC2)c1 ZINC001245429759 803735172 /nfs/dbraw/zinc/73/51/72/803735172.db2.gz WDUORPUSQYTYIZ-CQSZACIVSA-N -1 3 293.407 3.383 20 0 CGADHM O=C1NCc2ccc(Nc3ccc([O-])c(F)c3F)cc2N1 ZINC001212016379 814968114 /nfs/dbraw/zinc/96/81/14/814968114.db2.gz NHAQYLVXGQRQEI-UHFFFAOYSA-N -1 3 291.257 3.049 20 0 CGADHM COC(=O)c1cc2[nH]ccc2c(-c2c([O-])cccc2F)c1 ZINC001245653931 803884243 /nfs/dbraw/zinc/88/42/43/803884243.db2.gz BJOIGLNNAOZPKF-UHFFFAOYSA-N -1 3 285.274 3.466 20 0 CGADHM COC(=O)c1cc(-c2c([O-])cccc2F)ccc1F ZINC001245655584 803888088 /nfs/dbraw/zinc/88/80/88/803888088.db2.gz ZSPIPBYFLLQYLL-UHFFFAOYSA-N -1 3 264.227 3.124 20 0 CGADHM [O-]c1cccc(F)c1-c1ccc2[nH]c(=S)[nH]c2c1 ZINC001245655567 803888925 /nfs/dbraw/zinc/88/89/25/803888925.db2.gz FGRMOWWOROBXLL-UHFFFAOYSA-N -1 3 260.293 3.363 20 0 CGADHM [O-]c1cccc(F)c1-c1ccc(N2CCOCC2)cc1F ZINC001245656856 803890324 /nfs/dbraw/zinc/89/03/24/803890324.db2.gz VWNPLIYYLKJPFB-UHFFFAOYSA-N -1 3 291.297 3.174 20 0 CGADHM CCc1cc(-c2ccc(-c3nnn[n-]3)cc2C)ccc1OC ZINC001245791001 803962847 /nfs/dbraw/zinc/96/28/47/803962847.db2.gz MNIXUZFSYCCTCR-UHFFFAOYSA-N -1 3 294.358 3.413 20 0 CGADHM CCc1cc(-c2ccc(-c3nn[n-]n3)cc2C)ccc1OC ZINC001245791001 803962851 /nfs/dbraw/zinc/96/28/51/803962851.db2.gz MNIXUZFSYCCTCR-UHFFFAOYSA-N -1 3 294.358 3.413 20 0 CGADHM C[C@H]1CN(Cc2ccc([O-])c(F)c2F)C2(CC2)C1 ZINC001140892172 804542616 /nfs/dbraw/zinc/54/26/16/804542616.db2.gz DCQYCSXEUVYSSM-SECBINFHSA-N -1 3 253.292 3.045 20 0 CGADHM [O-]c1ccc(CN2CCC[C@H]3CCC[C@H]32)c(F)c1F ZINC001140893176 804545280 /nfs/dbraw/zinc/54/52/80/804545280.db2.gz JUYUYACAFQISGC-ZYHUDNBSSA-N -1 3 267.319 3.435 20 0 CGADHM O=C([O-])c1ccc(CN2CCC3(CC[C@H](F)C3)CC2)o1 ZINC001140947490 804555960 /nfs/dbraw/zinc/55/59/60/804555960.db2.gz QPMLFTAKNZYMNG-NSHDSACASA-N -1 3 281.327 3.082 20 0 CGADHM CCc1ccc(C(=O)NCCOc2ccc(C)cc2)c([O-])c1 ZINC001141356928 804634282 /nfs/dbraw/zinc/63/42/82/804634282.db2.gz XTTDGNFCPRNOJD-UHFFFAOYSA-N -1 3 299.370 3.072 20 0 CGADHM C[C@H](C(=O)Nc1c([O-])cccc1Cl)c1cccc(O)c1 ZINC001141469075 804643931 /nfs/dbraw/zinc/64/39/31/804643931.db2.gz IAVYSEHPJNHJNY-VIFPVBQESA-N -1 3 291.734 3.493 20 0 CGADHM CCc1cccc(C(=O)Nc2ccc(C)c3c[nH]nc32)c1[O-] ZINC001142535313 804733879 /nfs/dbraw/zinc/73/38/79/804733879.db2.gz RXLVJABDUAOSII-UHFFFAOYSA-N -1 3 295.342 3.392 20 0 CGADHM C[C@H]1CCCN(Cc2c(F)cc([O-])cc2F)CC1 ZINC001144545072 805000816 /nfs/dbraw/zinc/00/08/16/805000816.db2.gz QYBRYIGGNNEJRL-JTQLQIEISA-N -1 3 255.308 3.292 20 0 CGADHM CN(CCc1ccc(F)cc1)Cc1c(F)cc([O-])cc1F ZINC001144555194 805005341 /nfs/dbraw/zinc/00/53/41/805005341.db2.gz ZDIHXWCPCYSHQB-UHFFFAOYSA-N -1 3 295.304 3.484 20 0 CGADHM Cc1cnc(Cl)c(NC(=O)Cc2ccc([O-])c(F)c2)c1 ZINC001144615712 805013386 /nfs/dbraw/zinc/01/33/86/805013386.db2.gz ANJVEZSVFVEZLT-UHFFFAOYSA-N -1 3 294.713 3.069 20 0 CGADHM [O-]c1cc(F)c(CN2CCC3(CC(F)C3)CC2)cc1F ZINC001144648236 805021150 /nfs/dbraw/zinc/02/11/50/805021150.db2.gz REGCRLHKZGRACD-UHFFFAOYSA-N -1 3 285.309 3.385 20 0 CGADHM [O-]c1cc(F)c(CN2C[C@@H]3CC(F)(F)C[C@@H]3C2)cc1F ZINC001144648175 805023593 /nfs/dbraw/zinc/02/35/93/805023593.db2.gz PEFOHMKTOPTSQO-AOOOYVTPSA-N -1 3 289.272 3.148 20 0 CGADHM COc1cccc([O-])c1C(=O)NCC[C@H]1CCCC[C@H]1C ZINC001146712309 805082299 /nfs/dbraw/zinc/08/22/99/805082299.db2.gz UQZISRPQTHLCIA-CHWSQXEVSA-N -1 3 291.391 3.347 20 0 CGADHM O=C(NCC1CC=CC1)c1cc([O-])c2ccccc2c1 ZINC001147559274 805138637 /nfs/dbraw/zinc/13/86/37/805138637.db2.gz OGLUQMCEUSQGOT-UHFFFAOYSA-N -1 3 267.328 3.241 20 0 CGADHM Cc1ccc(C(=O)Nc2cccc(Cl)c2CO)c([O-])c1 ZINC001148500023 805191640 /nfs/dbraw/zinc/19/16/40/805191640.db2.gz HCTQWIKPJFFYME-UHFFFAOYSA-N -1 3 291.734 3.099 20 0 CGADHM Cc1ccc(C(=O)Nc2cccc3[nH]c(=O)ccc23)c([O-])c1 ZINC001148500879 805191737 /nfs/dbraw/zinc/19/17/37/805191737.db2.gz YUTXDDFLJUGCSQ-UHFFFAOYSA-N -1 3 294.310 3.207 20 0 CGADHM Cc1cc(C(=O)Nc2ccc(F)c([O-])c2)cc(C)c1O ZINC001148557920 805195506 /nfs/dbraw/zinc/19/55/06/805195506.db2.gz XCURTDFZMYBNNH-UHFFFAOYSA-N -1 3 275.279 3.106 20 0 CGADHM CC(=O)c1cccc([O-])c1NC(=O)c1ccc2cc[nH]c2c1 ZINC001149218116 805225630 /nfs/dbraw/zinc/22/56/30/805225630.db2.gz VUFABUKPJGFQIO-UHFFFAOYSA-N -1 3 294.310 3.328 20 0 CGADHM Cc1ccnc(F)c1Nc1ncc(Cl)cc1[O-] ZINC001212554806 815066604 /nfs/dbraw/zinc/06/66/04/815066604.db2.gz OVCCJLBWDDZOGB-UHFFFAOYSA-N -1 3 253.664 3.027 20 0 CGADHM O=C(Nc1cc([O-])cc(Cl)c1)c1cc2c[nH]ccc-2n1 ZINC001151976500 805329205 /nfs/dbraw/zinc/32/92/05/805329205.db2.gz IPZISSBOOSEVTD-UHFFFAOYSA-N -1 3 287.706 3.174 20 0 CGADHM CC(C)Oc1cccc(-c2noc(-c3ccc([O-])cn3)n2)c1 ZINC001212558121 815067880 /nfs/dbraw/zinc/06/78/80/815067880.db2.gz SIHXKJJOKJCSRJ-UHFFFAOYSA-N -1 3 297.314 3.291 20 0 CGADHM Cc1ccnc(F)c1Nc1cc([O-])c(F)cc1F ZINC001212558472 815068137 /nfs/dbraw/zinc/06/81/37/815068137.db2.gz MTCMHLJIEYILSV-UHFFFAOYSA-N -1 3 254.211 3.257 20 0 CGADHM [O-]c1ccc(F)c(COCc2ccccc2)c1F ZINC001249997463 805355643 /nfs/dbraw/zinc/35/56/43/805355643.db2.gz FUBXWHFCJXXSHN-UHFFFAOYSA-N -1 3 250.244 3.387 20 0 CGADHM [O-]c1ccc(-c2nc(-c3cccc4cccnc43)no2)nc1 ZINC001212559013 815069179 /nfs/dbraw/zinc/06/91/79/815069179.db2.gz QXWWJZAQMLIBNF-UHFFFAOYSA-N -1 3 290.282 3.052 20 0 CGADHM O=C(CCc1cccc([O-])c1F)c1ccc(F)cc1 ZINC001250027972 805377847 /nfs/dbraw/zinc/37/78/47/805377847.db2.gz IRCKPWNIFQIIJB-UHFFFAOYSA-N -1 3 262.255 3.486 20 0 CGADHM C/C(=C/c1cccnc1)C(=O)Nc1ccc(Cl)cc1[O-] ZINC001153461257 805397909 /nfs/dbraw/zinc/39/79/09/805397909.db2.gz LBCMDICGNXSMQT-YFHOEESVSA-N -1 3 288.734 3.483 20 0 CGADHM COc1cccc([O-])c1C(=O)N1Cc2ccccc2[C@@H](C)C1 ZINC001154211307 805441093 /nfs/dbraw/zinc/44/10/93/805441093.db2.gz ROGPHMYBVAAHIT-LBPRGKRZSA-N -1 3 297.354 3.160 20 0 CGADHM Cn1nc(C2CC2)cc1Nc1ccc(Cl)c([O-])c1 ZINC001212587713 815077601 /nfs/dbraw/zinc/07/76/01/815077601.db2.gz ZXHBLTDHRIUNRU-UHFFFAOYSA-N -1 3 263.728 3.400 20 0 CGADHM COc1nc(OC)c(Nc2cc(F)c([O-])c(F)c2)cc1C ZINC001250186383 805474514 /nfs/dbraw/zinc/47/45/14/805474514.db2.gz MCBQDECQVNGIFC-UHFFFAOYSA-N -1 3 296.273 3.135 20 0 CGADHM Cn1ncc(Cl)c1Nc1ccc(Cl)c([O-])c1 ZINC001212590416 815078468 /nfs/dbraw/zinc/07/84/68/815078468.db2.gz LKALCERQVPRPSL-UHFFFAOYSA-N -1 3 258.108 3.176 20 0 CGADHM [O-]c1ccc(F)c(Cc2cc(F)cc3c2OCOC3)c1F ZINC001250202605 805487257 /nfs/dbraw/zinc/48/72/57/805487257.db2.gz VQKDTURQFAXTNO-UHFFFAOYSA-N -1 3 296.244 3.267 20 0 CGADHM [O-]c1c(F)cc(CCN2CCCCC2)cc1Cl ZINC001250241768 805514600 /nfs/dbraw/zinc/51/46/00/805514600.db2.gz HHFUCCCGCQWIKB-UHFFFAOYSA-N -1 3 257.736 3.213 20 0 CGADHM CNC(=O)c1ccc(Nc2ccc(Cl)c([O-])c2)c(F)c1 ZINC001212594894 815081459 /nfs/dbraw/zinc/08/14/59/815081459.db2.gz BSPODARLYBEBCG-UHFFFAOYSA-N -1 3 294.713 3.288 20 0 CGADHM [O-]c1cncc(-c2nc(-c3cc(F)ccc3Cl)no2)c1 ZINC001212708568 815110287 /nfs/dbraw/zinc/11/02/87/815110287.db2.gz LWUODMSYFIKTJU-UHFFFAOYSA-N -1 3 291.669 3.297 20 0 CGADHM Cc1c(Cl)cccc1-c1noc(-c2cncc([O-])c2)n1 ZINC001212708891 815110506 /nfs/dbraw/zinc/11/05/06/815110506.db2.gz VVAMNDRRZGXPKL-UHFFFAOYSA-N -1 3 287.706 3.466 20 0 CGADHM Cc1ccccc1[C@@H](C)NC(=O)Cc1ccc([O-])c(F)c1 ZINC001169013091 807553567 /nfs/dbraw/zinc/55/35/67/807553567.db2.gz XTWGDXALHZIINX-GFCCVEGCSA-N -1 3 287.334 3.260 20 0 CGADHM O=c1cccc(Nc2cc(Br)cc(F)c2[O-])[nH]1 ZINC001212793433 815141190 /nfs/dbraw/zinc/14/11/90/815141190.db2.gz WJUZKNAIUPCUFG-UHFFFAOYSA-N -1 3 299.099 3.138 20 0 CGADHM c1nn[n-]c1-c1nc(-c2ccc(-c3ccccc3)cc2)no1 ZINC001212799025 815141635 /nfs/dbraw/zinc/14/16/35/815141635.db2.gz FPROIQXYTMMUFZ-UHFFFAOYSA-N -1 3 289.298 3.189 20 0 CGADHM c1[n-]nnc1-c1nc(-c2ccc(-c3ccccc3)cc2)no1 ZINC001212799025 815141637 /nfs/dbraw/zinc/14/16/37/815141637.db2.gz FPROIQXYTMMUFZ-UHFFFAOYSA-N -1 3 289.298 3.189 20 0 CGADHM CC(C)(C)O[N-]C(=O)CCc1ccc(C(F)F)cc1 ZINC001262018179 807806847 /nfs/dbraw/zinc/80/68/47/807806847.db2.gz YWOZVGHEDWRBTO-UHFFFAOYSA-N -1 3 271.307 3.403 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2cnoc2C(C)C)c1 ZINC001262640233 807883299 /nfs/dbraw/zinc/88/32/99/807883299.db2.gz YMPXOZZQKQHPLA-UHFFFAOYSA-N -1 3 260.293 3.064 20 0 CGADHM c1ccc2ncc([N-]c3nonc3C3CC3)cc2c1 ZINC001174002055 808814977 /nfs/dbraw/zinc/81/49/77/808814977.db2.gz MHMPEDFHDFGFCU-UHFFFAOYSA-N -1 3 252.277 3.239 20 0 CGADHM COc1ccc(Nc2ncc(Cl)cc2[O-])c(F)c1 ZINC001174143896 808888473 /nfs/dbraw/zinc/88/84/73/808888473.db2.gz KFXLLCVHNKULNW-UHFFFAOYSA-N -1 3 268.675 3.332 20 0 CGADHM CC(=O)NCc1ccc(Nc2cccc(Cl)c2[O-])cc1 ZINC001174232016 808916348 /nfs/dbraw/zinc/91/63/48/808916348.db2.gz UIHBBERQQCEIAX-UHFFFAOYSA-N -1 3 290.750 3.425 20 0 CGADHM O=c1cc(Nc2cc(F)ccc2O)[n-]n1-c1ccccc1 ZINC001174625924 809108274 /nfs/dbraw/zinc/10/82/74/809108274.db2.gz MHPAVBPAVGYYAC-UHFFFAOYSA-N -1 3 285.278 3.166 20 0 CGADHM CCO[C@@H](C)n1cc(Nc2cc(F)c([O-])cc2F)cn1 ZINC001174701898 809137319 /nfs/dbraw/zinc/13/73/19/809137319.db2.gz LFWROIQOICLLCT-QMMMGPOBSA-N -1 3 283.278 3.166 20 0 CGADHM CCCCCC[C@@H](CC)C(=O)Nc1nnc(OCC)[n-]1 ZINC001174745986 809150411 /nfs/dbraw/zinc/15/04/11/809150411.db2.gz XQKSCWOOOXHJBK-LLVKDONJSA-N -1 3 282.388 3.139 20 0 CGADHM CCCCCC[C@@H](CC)C(=O)Nc1n[n-]c(OCC)n1 ZINC001174745986 809150416 /nfs/dbraw/zinc/15/04/16/809150416.db2.gz XQKSCWOOOXHJBK-LLVKDONJSA-N -1 3 282.388 3.139 20 0 CGADHM CCCCCC[C@@H](CC)C(=O)Nc1nc(OCC)n[n-]1 ZINC001174745986 809150420 /nfs/dbraw/zinc/15/04/20/809150420.db2.gz XQKSCWOOOXHJBK-LLVKDONJSA-N -1 3 282.388 3.139 20 0 CGADHM Nc1cc(Cl)cnc1Nc1cc(F)c([O-])c(F)c1 ZINC001213375201 815271726 /nfs/dbraw/zinc/27/17/26/815271726.db2.gz TVPPRMXIEBIFMY-UHFFFAOYSA-N -1 3 271.654 3.045 20 0 CGADHM COc1cccc(F)c1Nc1ncc(Cl)cc1[O-] ZINC001174992066 809229377 /nfs/dbraw/zinc/22/93/77/809229377.db2.gz ODVLROXZVAZRTB-UHFFFAOYSA-N -1 3 268.675 3.332 20 0 CGADHM [O-]c1c(F)cc(Nc2ccnn2CC2CCC2)cc1F ZINC001213377236 815272819 /nfs/dbraw/zinc/27/28/19/815272819.db2.gz DNUVXPAWHZTACF-UHFFFAOYSA-N -1 3 279.290 3.411 20 0 CGADHM CC1(C)COc2c(Nc3cc(F)c([O-])c(F)c3)cnn2C1 ZINC001213377344 815272942 /nfs/dbraw/zinc/27/29/42/815272942.db2.gz KHSMQAQPKQIXJB-UHFFFAOYSA-N -1 3 295.289 3.029 20 0 CGADHM COC(=O)c1ccc(Nc2cc(F)c([O-])c(F)c2)cc1 ZINC001213379229 815273254 /nfs/dbraw/zinc/27/32/54/815273254.db2.gz HILSNXGUCCBRDL-UHFFFAOYSA-N -1 3 279.242 3.201 20 0 CGADHM COc1cc(Cl)nc(Nc2cc(F)c([O-])c(F)c2)c1 ZINC001213377688 815273462 /nfs/dbraw/zinc/27/34/62/815273462.db2.gz WWMSLZWSKFGWBE-UHFFFAOYSA-N -1 3 286.665 3.471 20 0 CGADHM [O-]c1cc(F)c(Nc2cc(CO)ccc2F)c(F)c1 ZINC001175099924 809270849 /nfs/dbraw/zinc/27/08/49/809270849.db2.gz HLYYUSBMDXGPFZ-UHFFFAOYSA-N -1 3 269.222 3.045 20 0 CGADHM Cc1ccc(Nc2cnn(C(C)(C)CO)c2)c(Cl)c1[O-] ZINC001213408823 815277463 /nfs/dbraw/zinc/27/74/63/815277463.db2.gz BEOVJZMONAZPLN-UHFFFAOYSA-N -1 3 295.770 3.022 20 0 CGADHM Nc1ccnc(Cl)c1Nc1c(F)ccc([O-])c1F ZINC001175262512 809327534 /nfs/dbraw/zinc/32/75/34/809327534.db2.gz HXKVTCPGISRJBN-UHFFFAOYSA-N -1 3 271.654 3.045 20 0 CGADHM COc1ccc(Cl)c(Nc2c(F)ccc([O-])c2F)n1 ZINC001175265004 809330870 /nfs/dbraw/zinc/33/08/70/809330870.db2.gz ANDUBOBWRJPGNG-UHFFFAOYSA-N -1 3 286.665 3.471 20 0 CGADHM [O-]c1ccc(F)c(Nc2cc(CO)ccc2F)c1F ZINC001175268163 809332743 /nfs/dbraw/zinc/33/27/43/809332743.db2.gz IYWJPFPEZYWVGU-UHFFFAOYSA-N -1 3 269.222 3.045 20 0 CGADHM CC(=O)Oc1ccc(F)c(Nc2c(F)ccc([O-])c2F)c1 ZINC001175271614 809335785 /nfs/dbraw/zinc/33/57/85/809335785.db2.gz XOOQGOROXNSROL-UHFFFAOYSA-N -1 3 297.232 3.478 20 0 CGADHM CN(C)Cc1ccccc1Nc1cccc(C(=O)[O-])c1 ZINC001175331224 809359110 /nfs/dbraw/zinc/35/91/10/809359110.db2.gz JMWPTJRZIRNIOB-UHFFFAOYSA-N -1 3 270.332 3.190 20 0 CGADHM COc1ncc(Nc2cccc(Cl)c2[O-])s1 ZINC001175390596 809387626 /nfs/dbraw/zinc/38/76/26/809387626.db2.gz BLPSZGPAZDSQHN-UHFFFAOYSA-N -1 3 256.714 3.254 20 0 CGADHM CSc1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001175429006 809401191 /nfs/dbraw/zinc/40/11/91/809401191.db2.gz FFGJIHHPXCQRRC-UHFFFAOYSA-N -1 3 283.360 3.332 20 0 CGADHM Cc1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1C ZINC001175428395 809401890 /nfs/dbraw/zinc/40/18/90/809401890.db2.gz HBELQFXIOVBODV-UHFFFAOYSA-N -1 3 265.320 3.227 20 0 CGADHM Cn1ncc2cccc(Nc3ncc(Cl)cc3[O-])c21 ZINC001175441163 809407499 /nfs/dbraw/zinc/40/74/99/809407499.db2.gz VKTHIKDYAYFJCI-UHFFFAOYSA-N -1 3 274.711 3.071 20 0 CGADHM Cn1cc2cccc(Nc3cc([O-])c(F)cc3F)c2n1 ZINC001175458769 809413330 /nfs/dbraw/zinc/41/33/30/809413330.db2.gz LBYJYPGZQQVQHA-UHFFFAOYSA-N -1 3 275.258 3.301 20 0 CGADHM Cc1cc(F)ccc1-c1noc(-c2cc(Cl)n[n-]2)n1 ZINC001213500601 815291225 /nfs/dbraw/zinc/29/12/25/815291225.db2.gz KVAKHMRMADJWMY-UHFFFAOYSA-N -1 3 278.674 3.228 20 0 CGADHM Cc1ccccc1-c1noc(-c2cc(Cl)n[n-]2)n1 ZINC001213500836 815292556 /nfs/dbraw/zinc/29/25/56/815292556.db2.gz RYZYUQMRXVVBIM-UHFFFAOYSA-N -1 3 260.684 3.089 20 0 CGADHM O=C(Cc1ccc(O)c(F)c1)Nc1ccc(Cl)cc1[O-] ZINC001295972309 809496765 /nfs/dbraw/zinc/49/67/65/809496765.db2.gz NBFMWXWQGOTMPR-UHFFFAOYSA-N -1 3 295.697 3.072 20 0 CGADHM COc1cc(C)c(NC(=O)c2c(C)cccc2[O-])cc1F ZINC001296579721 809505463 /nfs/dbraw/zinc/50/54/63/809505463.db2.gz LMLUHNPBWKUESS-UHFFFAOYSA-N -1 3 289.306 3.409 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)C[C@H](C)Cc1cccc(OC)c1 ZINC001298607032 809534712 /nfs/dbraw/zinc/53/47/12/809534712.db2.gz OSCJVYPIXAKZGK-UONOGXRCSA-N -1 3 293.407 3.358 20 0 CGADHM Cc1ccc2occ(CC(=O)[N-]OC/C=C\Cl)c2c1 ZINC001298868746 809540074 /nfs/dbraw/zinc/54/00/74/809540074.db2.gz JZXMADSSDZWNQW-DJWKRKHSSA-N -1 3 279.723 3.084 20 0 CGADHM CN(C(=O)c1cc([O-])ccc1Cl)c1ccsc1 ZINC001300075421 809559877 /nfs/dbraw/zinc/55/98/77/809559877.db2.gz WYGZHECPYOSWCA-UHFFFAOYSA-N -1 3 267.737 3.384 20 0 CGADHM CCCOc1ccc(Nc2cnc[n-]c2=O)cc1Cl ZINC001176308663 809665917 /nfs/dbraw/zinc/66/59/17/809665917.db2.gz VODCZYWKSGEGEB-UHFFFAOYSA-N -1 3 279.727 3.368 20 0 CGADHM COc1cccc(Nc2cc(=O)[n-]c(C)n2)c1C1CC1 ZINC001213800546 815333278 /nfs/dbraw/zinc/33/32/78/815333278.db2.gz BERXCXGZFXBWJZ-UHFFFAOYSA-N -1 3 271.320 3.120 20 0 CGADHM CC(C)(C[N-]S(=O)(=O)c1ccc(Cl)s1)C1CC1 ZINC001213875619 815342532 /nfs/dbraw/zinc/34/25/32/815342532.db2.gz YOIKIYZDKZEBPA-UHFFFAOYSA-N -1 3 293.841 3.116 20 0 CGADHM Cc1cc(F)cc(CC(=O)Nc2ccc(F)c([O-])c2)c1 ZINC001181646873 810062802 /nfs/dbraw/zinc/06/28/02/810062802.db2.gz OHUQPUMNQDWAMP-UHFFFAOYSA-N -1 3 277.270 3.160 20 0 CGADHM C[C@H](C(=O)Nc1cncc([O-])c1)c1ccccc1Cl ZINC001184473936 810202499 /nfs/dbraw/zinc/20/24/99/810202499.db2.gz QDSOQRZGQQUXDY-VIFPVBQESA-N -1 3 276.723 3.183 20 0 CGADHM CC(C)c1nnc([N-]c2cccc3[nH]c(=O)ccc23)o1 ZINC001213967978 815353040 /nfs/dbraw/zinc/35/30/40/815353040.db2.gz RMLMYPSNSFOVQI-UHFFFAOYSA-N -1 3 270.292 3.190 20 0 CGADHM CC1(CC(=O)Nc2ncc([O-])cc2Br)CCC1 ZINC001185095021 810235052 /nfs/dbraw/zinc/23/50/52/810235052.db2.gz OGGJJZXZUNZKTD-UHFFFAOYSA-N -1 3 299.168 3.069 20 0 CGADHM Cc1noc(C)c1NC(=O)[N-]c1cc(-c2ccco2)no1 ZINC001185142396 810238104 /nfs/dbraw/zinc/23/81/04/810238104.db2.gz OHRAGVZSODDPSP-UHFFFAOYSA-N -1 3 288.263 3.183 20 0 CGADHM Cc1c(F)cccc1-c1noc(-c2ccc(F)c(=O)[n-]2)n1 ZINC001214085387 815366660 /nfs/dbraw/zinc/36/66/60/815366660.db2.gz MTOBAXKRTGHEDH-UHFFFAOYSA-N -1 3 289.241 3.091 20 0 CGADHM Cc1n[nH]c2cc(NC(=O)c3c(C)cccc3[O-])ccc12 ZINC001188649096 810498958 /nfs/dbraw/zinc/49/89/58/810498958.db2.gz QZWGIWGDHOJJKB-UHFFFAOYSA-N -1 3 281.315 3.138 20 0 CGADHM COC(=O)c1cnc(SCCc2ccc(Cl)cc2)[n-]1 ZINC001189165947 810546094 /nfs/dbraw/zinc/54/60/94/810546094.db2.gz HCZLKJGQEXJPEY-UHFFFAOYSA-N -1 3 296.779 3.185 20 0 CGADHM CCC[C@H]1CCCC[C@@H]1C[N-]S(=O)(=O)c1ccco1 ZINC001191347778 810703812 /nfs/dbraw/zinc/70/38/12/810703812.db2.gz LNHYNRPAWDCPOC-QWHCGFSZSA-N -1 3 285.409 3.164 20 0 CGADHM CCC[C@H]1CCCC[C@@H]1C[N-]C(=O)C(F)(F)F ZINC001191349756 810704273 /nfs/dbraw/zinc/70/42/73/810704273.db2.gz XKVBDROLCORAHJ-VHSXEESVSA-N -1 3 251.292 3.271 20 0 CGADHM CCN(Cc1cc(=O)[n-]c(C2CC2)n1)c1ccccc1C ZINC001192090211 810768070 /nfs/dbraw/zinc/76/80/70/810768070.db2.gz AOQQKLPUQMRIAA-UHFFFAOYSA-N -1 3 283.375 3.395 20 0 CGADHM CC(C)OC(=O)Nc1ccc(C(=O)OC(C)(C)C)cc1[O-] ZINC001193496317 810896726 /nfs/dbraw/zinc/89/67/26/810896726.db2.gz LIGJEVRRTULQSZ-UHFFFAOYSA-N -1 3 295.335 3.304 20 0 CGADHM O=C(N[C@@H]1CC12CCC2)c1ccc([O-])cc1C(F)(F)F ZINC001193759775 810949017 /nfs/dbraw/zinc/94/90/17/810949017.db2.gz YMBSCHSLGQNDEN-LLVKDONJSA-N -1 3 285.265 3.083 20 0 CGADHM C=Cc1ccc(NC(=O)c2cnc(C(F)(F)F)[n-]2)cc1 ZINC001194782787 811132483 /nfs/dbraw/zinc/13/24/83/811132483.db2.gz WICJAIVJOSUUBN-UHFFFAOYSA-N -1 3 281.237 3.324 20 0 CGADHM Nc1nc2ccccc2n1-c1c(Cl)ccc([O-])c1F ZINC001214554503 815423582 /nfs/dbraw/zinc/42/35/82/815423582.db2.gz SIWIKGMMSPDQAC-UHFFFAOYSA-N -1 3 277.686 3.106 20 0 CGADHM Nc1cccc2c1cnn2-c1c(Cl)ccc([O-])c1F ZINC001214561649 815424305 /nfs/dbraw/zinc/42/43/05/815424305.db2.gz WQJUJXYZSIHQJM-UHFFFAOYSA-N -1 3 277.686 3.106 20 0 CGADHM O=C1NCc2ccc(Nc3c(Cl)ccc([O-])c3F)cc21 ZINC001214559965 815424353 /nfs/dbraw/zinc/42/43/53/815424353.db2.gz WTHSWOKSGMUWRN-UHFFFAOYSA-N -1 3 292.697 3.172 20 0 CGADHM Cc1ccccc1N(C)Cc1nnc(-c2ccccc2[O-])o1 ZINC001196357387 811336197 /nfs/dbraw/zinc/33/61/97/811336197.db2.gz MKIGEXIGCZLTEK-UHFFFAOYSA-N -1 3 295.342 3.387 20 0 CGADHM [O-]c1ccc(NC(=S)NCc2ccc(F)cc2)cc1F ZINC001196487583 811348896 /nfs/dbraw/zinc/34/88/96/811348896.db2.gz HKWXFLCYIPWOOF-UHFFFAOYSA-N -1 3 294.326 3.157 20 0 CGADHM COCOc1c(C)cccc1[N-]c1nnc(C(C)(C)C)o1 ZINC001214842129 815454953 /nfs/dbraw/zinc/45/49/53/815454953.db2.gz AIMHIWFJAXHJNQ-UHFFFAOYSA-N -1 3 291.351 3.402 20 0 CGADHM OCc1ccc([N-]c2nc3ccc(F)cc3o2)c(F)c1F ZINC001215024353 815476283 /nfs/dbraw/zinc/47/62/83/815476283.db2.gz KNNZDTZXBNUQOI-UHFFFAOYSA-N -1 3 294.232 3.481 20 0 CGADHM O=c1cc(Nc2ccc(C3CC3)nc2)nc(C2CC2)[n-]1 ZINC001201702992 811940642 /nfs/dbraw/zinc/94/06/42/811940642.db2.gz UICAAICSIIVGFY-UHFFFAOYSA-N -1 3 268.320 3.076 20 0 CGADHM Cc1nc(Nc2c(F)ccc(OC(C)C)c2F)cc(=O)[n-]1 ZINC001215173338 815491669 /nfs/dbraw/zinc/49/16/69/815491669.db2.gz YEKLDSRSOVWUGH-UHFFFAOYSA-N -1 3 295.289 3.300 20 0 CGADHM Cc1ccc([O-])c(NC(=O)Nc2ccc(C)c(C)c2)n1 ZINC001202816811 812180786 /nfs/dbraw/zinc/18/07/86/812180786.db2.gz ZWXQRMZIQWFJHH-UHFFFAOYSA-N -1 3 271.320 3.356 20 0 CGADHM Cc1nc(NC(=O)Nc2ccc(C(C)C)cc2)cc(=O)[n-]1 ZINC001202916853 812200419 /nfs/dbraw/zinc/20/04/19/812200419.db2.gz ZNCJPNIRHRVKBX-UHFFFAOYSA-N -1 3 286.335 3.258 20 0 CGADHM COc1nc(C)ccc1Nc1cc(F)c([O-])cc1F ZINC001215570444 815536175 /nfs/dbraw/zinc/53/61/75/815536175.db2.gz GCLLAJTUHNALID-UHFFFAOYSA-N -1 3 266.247 3.126 20 0 CGADHM [O-]c1cc(F)c(Nc2ccnn2CC2CCC2)cc1F ZINC001215572676 815537634 /nfs/dbraw/zinc/53/76/34/815537634.db2.gz POMUMGVKJLBHQB-UHFFFAOYSA-N -1 3 279.290 3.411 20 0 CGADHM CN(c1ccccc1N)c1cc(F)c([O-])cc1F ZINC001215573727 815538766 /nfs/dbraw/zinc/53/87/66/815538766.db2.gz OYSVRZHBAFWZNX-UHFFFAOYSA-N -1 3 250.248 3.021 20 0 CGADHM Nc1ccc2c(c1)N(c1cc(F)c([O-])cc1F)CCC2 ZINC001215576242 815539481 /nfs/dbraw/zinc/53/94/81/815539481.db2.gz QBUIXSITWXAEKK-UHFFFAOYSA-N -1 3 276.286 3.337 20 0 CGADHM Cc1cc(C)nc(-c2ccc([O-])cc2C(F)(F)F)n1 ZINC001205066867 812844556 /nfs/dbraw/zinc/84/45/56/812844556.db2.gz XIDBFJYOKCIQDY-UHFFFAOYSA-N -1 3 268.238 3.485 20 0 CGADHM COc1cc(Cl)cc(-c2cccc(-c3nnn[n-]3)c2)c1 ZINC001205141349 812884826 /nfs/dbraw/zinc/88/48/26/812884826.db2.gz WQUXNGRFVSBMLK-UHFFFAOYSA-N -1 3 286.722 3.196 20 0 CGADHM COc1cc(Cl)cc(-c2cccc(-c3nn[n-]n3)c2)c1 ZINC001205141349 812884835 /nfs/dbraw/zinc/88/48/35/812884835.db2.gz WQUXNGRFVSBMLK-UHFFFAOYSA-N -1 3 286.722 3.196 20 0 CGADHM Cc1ncc(Nc2ccc(F)c(OC(C)C)c2F)c(=O)[n-]1 ZINC001215727891 815566637 /nfs/dbraw/zinc/56/66/37/815566637.db2.gz FDDMNDAYSADXNO-UHFFFAOYSA-N -1 3 295.289 3.300 20 0 CGADHM CCc1noc(-c2ccnc(-c3ccc([O-])cc3F)c2)n1 ZINC001206045006 813179203 /nfs/dbraw/zinc/17/92/03/813179203.db2.gz WCDWFEZOCDPUHN-UHFFFAOYSA-N -1 3 285.278 3.206 20 0 CGADHM C[C@@H]1CCCN(c2cc(-c3ccc([O-])cc3F)ncn2)C1 ZINC001206044258 813179314 /nfs/dbraw/zinc/17/93/14/813179314.db2.gz GYPOECNYFUYSGW-LLVKDONJSA-N -1 3 287.338 3.225 20 0 CGADHM [O-]c1ccc(-c2cncc(N3CCCCCC3)n2)c(F)c1 ZINC001206044429 813179580 /nfs/dbraw/zinc/17/95/80/813179580.db2.gz KMWCSUIADWXCEE-UHFFFAOYSA-N -1 3 287.338 3.369 20 0 CGADHM COC(=O)c1c(F)cc(F)cc1-c1ccc([O-])cc1F ZINC001206073058 813190943 /nfs/dbraw/zinc/19/09/43/813190943.db2.gz MEEKSZHECYOGAH-UHFFFAOYSA-N -1 3 282.217 3.263 20 0 CGADHM CSc1ncc(-c2ccc([O-])cc2F)c(C)n1 ZINC001206087491 813196045 /nfs/dbraw/zinc/19/60/45/813196045.db2.gz CLRWIIIZOYNYEV-UHFFFAOYSA-N -1 3 250.298 3.019 20 0 CGADHM Cc1ccc(Nc2ncc(Br)cc2[O-])c(O)c1 ZINC001206254977 813257204 /nfs/dbraw/zinc/25/72/04/813257204.db2.gz LRLGIUPBWRIJBU-UHFFFAOYSA-N -1 3 295.136 3.307 20 0 CGADHM Cc1c(Cl)ccc(-c2cncc(-c3nnn[n-]3)c2)c1F ZINC001206284578 813271191 /nfs/dbraw/zinc/27/11/91/813271191.db2.gz WBJRLDUWVZGSQI-UHFFFAOYSA-N -1 3 289.701 3.030 20 0 CGADHM Cc1c(Cl)ccc(-c2cncc(-c3nn[n-]n3)c2)c1F ZINC001206284578 813271195 /nfs/dbraw/zinc/27/11/95/813271195.db2.gz WBJRLDUWVZGSQI-UHFFFAOYSA-N -1 3 289.701 3.030 20 0 CGADHM [O-]c1c(F)cc(Nc2ccc3c(c2)OCC3)cc1F ZINC001206684696 813399838 /nfs/dbraw/zinc/39/98/38/813399838.db2.gz VNDBHNJEGOPKFQ-UHFFFAOYSA-N -1 3 263.243 3.349 20 0 CGADHM Cc1cc(C)c(Nc2ccc(C(N)=O)c([O-])c2)cc1C ZINC001209832646 814155532 /nfs/dbraw/zinc/15/55/32/814155532.db2.gz MJBMAWONSGCFER-UHFFFAOYSA-N -1 3 270.332 3.160 20 0 CGADHM O=c1[n-]cncc1Nc1ccc(C(F)(F)F)c(F)c1 ZINC001209909793 814197816 /nfs/dbraw/zinc/19/78/16/814197816.db2.gz LBFSSHDUUYMSNI-UHFFFAOYSA-N -1 3 273.189 3.084 20 0 CGADHM CCc1nc2ccc(Nc3cccc(Cl)c3[O-])cn2n1 ZINC001210218977 814346136 /nfs/dbraw/zinc/34/61/36/814346136.db2.gz IBTUFXDNFVTKGL-UHFFFAOYSA-N -1 3 288.738 3.394 20 0 CGADHM Cc1cc2ncc(C)c(Nc3cccc(Cl)c3[O-])n2n1 ZINC001210217401 814346826 /nfs/dbraw/zinc/34/68/26/814346826.db2.gz YUCFFSWEZOJOSB-UHFFFAOYSA-N -1 3 288.738 3.449 20 0 CGADHM COCCOc1cc(Nc2cccc(Cl)c2[O-])ccn1 ZINC001210218567 814346980 /nfs/dbraw/zinc/34/69/80/814346980.db2.gz BCEHDYJYVVKLAQ-UHFFFAOYSA-N -1 3 294.738 3.209 20 0 CGADHM Cn1ncc(Cl)c1Nc1cccc(Cl)c1[O-] ZINC001210220428 814348664 /nfs/dbraw/zinc/34/86/64/814348664.db2.gz VLLLWDLSNQPHTC-UHFFFAOYSA-N -1 3 258.108 3.176 20 0 CGADHM CNC(=O)Cc1ccc(Nc2cccc(Cl)c2[O-])cc1 ZINC001210222170 814349309 /nfs/dbraw/zinc/34/93/09/814349309.db2.gz RRPYBGKKBBQNME-UHFFFAOYSA-N -1 3 290.750 3.078 20 0 CGADHM CC1(C)COc2cc(Nc3cccc(Cl)c3[O-])nn2C1 ZINC001210220816 814349811 /nfs/dbraw/zinc/34/98/11/814349811.db2.gz RPUAFLPZANMNMX-UHFFFAOYSA-N -1 3 293.754 3.404 20 0 CGADHM NC(=O)c1cc(F)cc(Nc2cccc(Cl)c2[O-])c1 ZINC001210223135 814350649 /nfs/dbraw/zinc/35/06/49/814350649.db2.gz KYOMQNSTEDODQM-UHFFFAOYSA-N -1 3 280.686 3.027 20 0 CGADHM Cn1ccc([N-]c2cc(-c3ccc(Cl)cc3)no2)n1 ZINC001210349175 814416258 /nfs/dbraw/zinc/41/62/58/814416258.db2.gz YVGMBFBLYGIFNP-UHFFFAOYSA-N -1 3 274.711 3.472 20 0 CGADHM Nc1cncc(Nc2cc(Cl)c([O-])cc2Cl)c1 ZINC001210439899 814456738 /nfs/dbraw/zinc/45/67/38/814456738.db2.gz MZKPIMGOVMVRCZ-UHFFFAOYSA-N -1 3 270.119 3.420 20 0 CGADHM [O-]c1cccc(Nc2ccc(CO)c(F)c2)c1Cl ZINC001210487541 814484254 /nfs/dbraw/zinc/48/42/54/814484254.db2.gz DYMJENYFCIHSPI-UHFFFAOYSA-N -1 3 267.687 3.421 20 0 CGADHM [O-]c1cc(Nc2cc(O)ccc2F)c(F)cc1F ZINC001210800541 814633757 /nfs/dbraw/zinc/63/37/57/814633757.db2.gz XIRYDKXSAPAYPS-UHFFFAOYSA-N -1 3 255.195 3.259 20 0 CGADHM Oc1cc(-c2ccc(=S)[n-]n2)cc(C(F)(F)F)c1 ZINC001242781319 823131797 /nfs/dbraw/zinc/13/17/97/823131797.db2.gz CYAGHALVNYMIBX-UHFFFAOYSA-N -1 3 272.251 3.157 20 0 CGADHM CC(C)c1nnc([N-]c2ccccc2OC2CC2)o1 ZINC001210835462 814646842 /nfs/dbraw/zinc/64/68/42/814646842.db2.gz RWCAICOBNWCKDJ-UHFFFAOYSA-N -1 3 259.309 3.478 20 0 CGADHM [O-]c1cccc(Nc2cnn3ccccc23)c1Cl ZINC001210853739 814651096 /nfs/dbraw/zinc/65/10/96/814651096.db2.gz HICDZXOGTDJDNE-UHFFFAOYSA-N -1 3 259.696 3.437 20 0 CGADHM COc1ccc(Nc2cccc([O-])c2Cl)c(CO)c1 ZINC001210855327 814652024 /nfs/dbraw/zinc/65/20/24/814652024.db2.gz WWYAIAWUBFTGBZ-UHFFFAOYSA-N -1 3 279.723 3.290 20 0 CGADHM [O-]c1cccc(Nc2cc(Cl)nc3ccnn32)c1Cl ZINC001210855114 814652572 /nfs/dbraw/zinc/65/25/72/814652572.db2.gz IFFNWYNKGAFOFL-UHFFFAOYSA-N -1 3 295.129 3.485 20 0 CGADHM CSc1ccc(Nc2cc(=O)[n-]c(C)n2)c(F)c1 ZINC001210869101 814659155 /nfs/dbraw/zinc/65/91/55/814659155.db2.gz BKGQTJCROLDPCN-UHFFFAOYSA-N -1 3 265.313 3.095 20 0 CGADHM CCc1nnc([N-]c2cnccc2Br)s1 ZINC001211220689 814855241 /nfs/dbraw/zinc/85/52/41/814855241.db2.gz FZXYFHHIWUKHKN-UHFFFAOYSA-N -1 3 285.170 3.002 20 0 CGADHM COc1cccc([N-]c2snnc2-c2ccccc2)n1 ZINC001211298076 814873351 /nfs/dbraw/zinc/87/33/51/814873351.db2.gz YVKOIFSGEVVIJO-UHFFFAOYSA-N -1 3 284.344 3.352 20 0 CGADHM Cc1nc(Nc2ccc(O)c(C(C)C)c2)cc(=O)[n-]1 ZINC001215844564 815612111 /nfs/dbraw/zinc/61/21/11/815612111.db2.gz JEKNPZGHPPTEOS-UHFFFAOYSA-N -1 3 259.309 3.063 20 0 CGADHM CCOc1ccc(Nc2cnc(C)[n-]c2=O)c(C)c1C ZINC001215990791 815653364 /nfs/dbraw/zinc/65/33/64/815653364.db2.gz LJLFBEWUMIBSLC-UHFFFAOYSA-N -1 3 273.336 3.250 20 0 CGADHM NCc1cc(-c2cc(Cl)c([O-])c(Cl)c2)ccn1 ZINC001242854159 823152683 /nfs/dbraw/zinc/15/26/83/823152683.db2.gz SRQFEPUCFCGFAY-UHFFFAOYSA-N -1 3 269.131 3.220 20 0 CGADHM COc1cc(Nc2ncc(Cl)cc2[O-])c(Cl)cn1 ZINC001216383380 815806236 /nfs/dbraw/zinc/80/62/36/815806236.db2.gz DEBDPRBUYGRHLC-UHFFFAOYSA-N -1 3 286.118 3.241 20 0 CGADHM CC(C)(C)c1nc([N-]c2cc(Cl)ccc2O)no1 ZINC001216397838 815811048 /nfs/dbraw/zinc/81/10/48/815811048.db2.gz JXLRLLACMCWUKY-UHFFFAOYSA-N -1 3 267.716 3.470 20 0 CGADHM COc1cc(Nc2cccc([O-])c2Cl)cnc1F ZINC001216422902 815822973 /nfs/dbraw/zinc/82/29/73/815822973.db2.gz STHYGZQUJPUFQH-UHFFFAOYSA-N -1 3 268.675 3.332 20 0 CGADHM Cc1ccncc1-c1noc(-c2cc([O-])cc(Cl)c2)n1 ZINC001216702602 815894184 /nfs/dbraw/zinc/89/41/84/815894184.db2.gz XFQJSVVIMXQHSZ-UHFFFAOYSA-N -1 3 287.706 3.466 20 0 CGADHM Cc1ccc(-c2noc(-c3cc([O-])cc(Cl)c3)n2)nc1 ZINC001216701968 815894640 /nfs/dbraw/zinc/89/46/40/815894640.db2.gz FLSRGMCZVXSTEM-UHFFFAOYSA-N -1 3 287.706 3.466 20 0 CGADHM Cc1ccc(-c2noc(-c3cc([O-])c(C)c(F)c3)n2)nc1 ZINC001216895072 815900378 /nfs/dbraw/zinc/90/03/78/815900378.db2.gz FKMVBFUCWATJFX-UHFFFAOYSA-N -1 3 285.278 3.260 20 0 CGADHM [S-]c1ccccc1O[C@@H]1CNCc2ccccc21 ZINC001218484469 816238934 /nfs/dbraw/zinc/23/89/34/816238934.db2.gz PVVNOBAQHOEQKN-CQSZACIVSA-N -1 3 257.358 3.199 20 0 CGADHM [S-]c1cccc(O[C@@H]2CNCc3ccccc32)c1 ZINC001218487176 816241943 /nfs/dbraw/zinc/24/19/43/816241943.db2.gz RVQDNAWPIDZFLM-OAHLLOKOSA-N -1 3 257.358 3.199 20 0 CGADHM COC(=O)c1ccc(OC)c(-c2ccc(F)c([O-])c2)c1F ZINC001243047379 823224528 /nfs/dbraw/zinc/22/45/28/823224528.db2.gz CGAVSEPGNQEKQE-UHFFFAOYSA-N -1 3 294.253 3.133 20 0 CGADHM [O-]c1cc(-c2cc(OC(F)F)ccn2)ccc1F ZINC001243047283 823225236 /nfs/dbraw/zinc/22/52/36/823225236.db2.gz FLKCMJVYMZHFIT-UHFFFAOYSA-N -1 3 255.195 3.195 20 0 CGADHM [O-]c1cc(-c2cccc(OC(F)(F)F)n2)ccc1F ZINC001243048718 823225887 /nfs/dbraw/zinc/22/58/87/823225887.db2.gz NJGNCOXLGKWZLC-UHFFFAOYSA-N -1 3 273.185 3.492 20 0 CGADHM [O-]c1cc(-c2cc(-c3ccco3)ncn2)ccc1F ZINC001243050719 823227680 /nfs/dbraw/zinc/22/76/80/823227680.db2.gz RSLQGVIDQVRUIA-UHFFFAOYSA-N -1 3 256.236 3.248 20 0 CGADHM COC(=O)c1cc(F)c(F)cc1-c1ccc(F)c([O-])c1 ZINC001243050427 823227744 /nfs/dbraw/zinc/22/77/44/823227744.db2.gz VUWXXCSYFZWWTI-UHFFFAOYSA-N -1 3 282.217 3.263 20 0 CGADHM COCc1ccc(-c2ccc(F)c([O-])c2)c(F)c1 ZINC001243061102 823231963 /nfs/dbraw/zinc/23/19/63/823231963.db2.gz DIYJBXBNMGTZEU-UHFFFAOYSA-N -1 3 250.244 3.484 20 0 CGADHM [O-]c1coc2cc(O[C@@H]3CCc4ccccc4C3)ccc12 ZINC001225341517 817018629 /nfs/dbraw/zinc/01/86/29/817018629.db2.gz APBIDRLOZITKGD-CQSZACIVSA-N -1 3 280.323 3.198 20 0 CGADHM C[C@@H]1CCCC[C@H]1Oc1nc(=O)[n-]cc1C(F)(F)F ZINC001225580019 817099537 /nfs/dbraw/zinc/09/95/37/817099537.db2.gz SJGMSDNVQQUIMB-VXNVDRBHSA-N -1 3 276.258 3.159 20 0 CGADHM Cc1cnc(=S)[n-]c1OC1CC(C)(C)OC(C)(C)C1 ZINC001225741055 817163082 /nfs/dbraw/zinc/16/30/82/817163082.db2.gz ORBWXQZPZJERPM-UHFFFAOYSA-N -1 3 282.409 3.189 20 0 CGADHM CCCCC(=O)[C@@H](CCCC)Oc1nc[n-]c(=O)c1C ZINC001226077660 817267613 /nfs/dbraw/zinc/26/76/13/817267613.db2.gz SXNNKVSNTZCNMD-CYBMUJFWSA-N -1 3 280.368 3.188 20 0 CGADHM C[C@H](Oc1[n-]c(=S)nc2c1CCC2)c1ccccc1 ZINC001226298506 817322382 /nfs/dbraw/zinc/32/23/82/817322382.db2.gz TYUQFEQWHOONLO-JTQLQIEISA-N -1 3 272.373 3.394 20 0 CGADHM CCCOc1ccccc1-c1cc(-c2nnn[n-]2)ccc1F ZINC001243126078 823255650 /nfs/dbraw/zinc/25/56/50/823255650.db2.gz JWBDSAOTFOBLOX-UHFFFAOYSA-N -1 3 298.321 3.462 20 0 CGADHM CCCOc1ccccc1-c1cc(-c2nn[n-]n2)ccc1F ZINC001243126078 823255655 /nfs/dbraw/zinc/25/56/55/823255655.db2.gz JWBDSAOTFOBLOX-UHFFFAOYSA-N -1 3 298.321 3.462 20 0 CGADHM Cc1nnc(=O)[n-]c1O[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC001226460618 817364201 /nfs/dbraw/zinc/36/42/01/817364201.db2.gz DJXPDGDXTHHCDF-QMMMGPOBSA-N -1 3 299.252 3.044 20 0 CGADHM CCOc1ccc([C@H](C)Oc2cc(=O)[n-]c(CC)n2)cc1 ZINC001226475954 817370559 /nfs/dbraw/zinc/37/05/59/817370559.db2.gz PALLNWPMXVLLPL-NSHDSACASA-N -1 3 288.347 3.283 20 0 CGADHM CCC[C@@H](C)Oc1cc2c(C)cc(=O)oc2cc1[O-] ZINC001226534522 817389318 /nfs/dbraw/zinc/38/93/18/817389318.db2.gz MAVFTHRPAGEGKM-SNVBAGLBSA-N -1 3 262.305 3.374 20 0 CGADHM CCC[C@@H](Oc1[n-]c(=O)nc2cnncc21)c1ccccc1 ZINC001226693516 817435410 /nfs/dbraw/zinc/43/54/10/817435410.db2.gz WCFVOBMWUALRNN-CQSZACIVSA-N -1 3 296.330 3.046 20 0 CGADHM COC1CCC(Oc2cccc([O-])c2Cl)CC1 ZINC001226708714 817440921 /nfs/dbraw/zinc/44/09/21/817440921.db2.gz IKXLHTONHZYOEC-UHFFFAOYSA-N -1 3 256.729 3.382 20 0 CGADHM Cc1cc(O[C@@H](C)COc2ccccc2C)[n-]c(=S)n1 ZINC001226798509 817468006 /nfs/dbraw/zinc/46/80/06/817468006.db2.gz IRQUFULFNOIBLC-LBPRGKRZSA-N -1 3 290.388 3.228 20 0 CGADHM FC(F)(F)[C@@H](Oc1ccnc(=S)[n-]1)c1ccccc1 ZINC001226937239 817509870 /nfs/dbraw/zinc/50/98/70/817509870.db2.gz PANVYEYYSYENMJ-JTQLQIEISA-N -1 3 286.278 3.448 20 0 CGADHM Cc1cnc(F)c(-c2ccc3c(c2)[N-]C(=S)C3)c1 ZINC001243165218 823269889 /nfs/dbraw/zinc/26/98/89/823269889.db2.gz CXXQZHILKCIFMX-UHFFFAOYSA-N -1 3 258.321 3.492 20 0 CGADHM CC(C)(C)C(=O)Nc1ccccc1-c1ccc(=S)[n-]n1 ZINC001243174501 823273479 /nfs/dbraw/zinc/27/34/79/823273479.db2.gz VJPGSXLVCZHYEZ-UHFFFAOYSA-N -1 3 287.388 3.417 20 0 CGADHM COc1ccc(CO)cc1-c1ccc2c(c1)[N-]C(=S)C2 ZINC001243175948 823273975 /nfs/dbraw/zinc/27/39/75/823273975.db2.gz XXDWCZYIBWMDHS-UHFFFAOYSA-N -1 3 285.368 3.150 20 0 CGADHM C[C@H]1CC[C@@H](Oc2cc(=O)cc(C(F)(F)F)[n-]2)C1 ZINC001227586513 817676264 /nfs/dbraw/zinc/67/62/64/817676264.db2.gz MRSOZQCGMCALPF-IONNQARKSA-N -1 3 261.243 3.373 20 0 CGADHM C[C@H](Oc1cc(=O)cc(C(F)(F)F)[n-]1)c1ccncc1 ZINC001227585351 817676558 /nfs/dbraw/zinc/67/65/58/817676558.db2.gz BKIHEVVMYMVEJT-QMMMGPOBSA-N -1 3 284.237 3.341 20 0 CGADHM Cc1cccc2c1[C@@H](Oc1[nH]c(=S)nc3nc[n-]c31)CC2 ZINC001227612658 817681867 /nfs/dbraw/zinc/68/18/67/817681867.db2.gz FPYBNTOWCCARDO-JTQLQIEISA-N -1 3 298.371 3.016 20 0 CGADHM C[C@H](Oc1ncc(Cl)cc1[O-])c1ccncc1F ZINC001227984015 817774319 /nfs/dbraw/zinc/77/43/19/817774319.db2.gz YXYXDQGRGOFAPL-ZETCQYMHSA-N -1 3 268.675 3.115 20 0 CGADHM C[C@@H](Oc1[n-]c(=O)nc2cccnc21)c1cccc(F)c1 ZINC001228003817 817780616 /nfs/dbraw/zinc/78/06/16/817780616.db2.gz FSEJJKYHFZNHSR-SECBINFHSA-N -1 3 285.278 3.010 20 0 CGADHM O=c1nc2cccnc2c(O[C@@H]2CCCc3ccccc32)[n-]1 ZINC001228003711 817780991 /nfs/dbraw/zinc/78/09/91/817780991.db2.gz FCRDYWQBBAICQZ-CQSZACIVSA-N -1 3 293.326 3.187 20 0 CGADHM O=C(c1ccccc1)c1ccc([O-])c(O[C@@H]2CCCOC2)c1 ZINC001228153085 817827147 /nfs/dbraw/zinc/82/71/47/817827147.db2.gz AJHITELWZXNPLI-OAHLLOKOSA-N -1 3 298.338 3.181 20 0 CGADHM Cc1cc(=O)oc2c1ccc([O-])c2O[C@H]1CC[C@H](C)C1 ZINC001228621534 817956036 /nfs/dbraw/zinc/95/60/36/817956036.db2.gz BSXYRGIEBCIUNN-ONGXEEELSA-N -1 3 274.316 3.374 20 0 CGADHM CCC[C@@H](Oc1nnc(-c2cccnc2)[n-]1)C(C)C ZINC001228698179 817976693 /nfs/dbraw/zinc/97/66/93/817976693.db2.gz OIRPMHSIVILINY-GFCCVEGCSA-N -1 3 260.341 3.070 20 0 CGADHM CCC[C@@H](Oc1nc(-c2cccnc2)n[n-]1)C(C)C ZINC001228698179 817976702 /nfs/dbraw/zinc/97/67/02/817976702.db2.gz OIRPMHSIVILINY-GFCCVEGCSA-N -1 3 260.341 3.070 20 0 CGADHM CCC[C@@H](Oc1n[n-]c(-c2cccnc2)n1)C(C)C ZINC001228698179 817976709 /nfs/dbraw/zinc/97/67/09/817976709.db2.gz OIRPMHSIVILINY-GFCCVEGCSA-N -1 3 260.341 3.070 20 0 CGADHM Fc1ccc2c(c1)CC[C@@H]2Oc1nnc(-c2cccnc2)[n-]1 ZINC001228697298 817976740 /nfs/dbraw/zinc/97/67/40/817976740.db2.gz HLQZJGDRDXITDA-AWEZNQCLSA-N -1 3 296.305 3.072 20 0 CGADHM Fc1ccc2c(c1)CC[C@@H]2Oc1nc(-c2cccnc2)n[n-]1 ZINC001228697298 817976746 /nfs/dbraw/zinc/97/67/46/817976746.db2.gz HLQZJGDRDXITDA-AWEZNQCLSA-N -1 3 296.305 3.072 20 0 CGADHM Fc1ccc2c(c1)CC[C@@H]2Oc1n[n-]c(-c2cccnc2)n1 ZINC001228697298 817976754 /nfs/dbraw/zinc/97/67/54/817976754.db2.gz HLQZJGDRDXITDA-AWEZNQCLSA-N -1 3 296.305 3.072 20 0 CGADHM C[C@H](Oc1nnc(-c2cccnc2)[n-]1)c1ccccc1F ZINC001228696395 817977065 /nfs/dbraw/zinc/97/70/65/817977065.db2.gz WMFLLFNVCWJZKP-JTQLQIEISA-N -1 3 284.294 3.146 20 0 CGADHM C[C@H](Oc1nc(-c2cccnc2)n[n-]1)c1ccccc1F ZINC001228696395 817977070 /nfs/dbraw/zinc/97/70/70/817977070.db2.gz WMFLLFNVCWJZKP-JTQLQIEISA-N -1 3 284.294 3.146 20 0 CGADHM C[C@H](Oc1n[n-]c(-c2cccnc2)n1)c1ccccc1F ZINC001228696395 817977073 /nfs/dbraw/zinc/97/70/73/817977073.db2.gz WMFLLFNVCWJZKP-JTQLQIEISA-N -1 3 284.294 3.146 20 0 CGADHM CC[C@H](C)C[C@H](CC)Oc1n[n-]c(-c2ccncc2)n1 ZINC001228697720 817977810 /nfs/dbraw/zinc/97/78/10/817977810.db2.gz ONZWAWVABVDJPS-AAEUAGOBSA-N -1 3 274.368 3.460 20 0 CGADHM c1cc(-c2nc(OC3CCCCCCC3)n[n-]2)ccn1 ZINC001228700694 817980231 /nfs/dbraw/zinc/98/02/31/817980231.db2.gz WTAMWCPRWZGXKX-UHFFFAOYSA-N -1 3 272.352 3.358 20 0 CGADHM CCC(CC)[C@H](CC)Oc1cccc(-c2nnn[n-]2)c1 ZINC001231117762 818034183 /nfs/dbraw/zinc/03/41/83/818034183.db2.gz GALVFDRHDPVQRH-AWEZNQCLSA-N -1 3 274.368 3.460 20 0 CGADHM CCC(CC)[C@H](CC)Oc1cccc(-c2nn[n-]n2)c1 ZINC001231117762 818034185 /nfs/dbraw/zinc/03/41/85/818034185.db2.gz GALVFDRHDPVQRH-AWEZNQCLSA-N -1 3 274.368 3.460 20 0 CGADHM C[C@H]1CCC[C@H](C)C1Oc1cccc(-c2nnn[n-]2)c1 ZINC001231117529 818034675 /nfs/dbraw/zinc/03/46/75/818034675.db2.gz CIZOODRSUDMNQJ-QWRGUYRKSA-N -1 3 272.352 3.070 20 0 CGADHM C[C@H]1CCC[C@H](C)C1Oc1cccc(-c2nn[n-]n2)c1 ZINC001231117529 818034680 /nfs/dbraw/zinc/03/46/80/818034680.db2.gz CIZOODRSUDMNQJ-QWRGUYRKSA-N -1 3 272.352 3.070 20 0 CGADHM CCC[C@@H](Oc1cccc(-c2nnn[n-]2)c1)[C@@H](C)CC ZINC001231117739 818034804 /nfs/dbraw/zinc/03/48/04/818034804.db2.gz FTSCRZOHRXPQGR-SMDDNHRTSA-N -1 3 274.368 3.460 20 0 CGADHM CCC[C@@H](Oc1cccc(-c2nn[n-]n2)c1)[C@@H](C)CC ZINC001231117739 818034812 /nfs/dbraw/zinc/03/48/12/818034812.db2.gz FTSCRZOHRXPQGR-SMDDNHRTSA-N -1 3 274.368 3.460 20 0 CGADHM CC(C)O[C@@H]1CCN(Cc2ccc(Cl)c([O-])c2)C1 ZINC001231735855 818164414 /nfs/dbraw/zinc/16/44/14/818164414.db2.gz XFIXJSHJYATJIU-GFCCVEGCSA-N -1 3 269.772 3.045 20 0 CGADHM C[C@@H]1[C@@H](C)CCCN1Cc1ccc(F)c([O-])c1F ZINC001232934427 818475094 /nfs/dbraw/zinc/47/50/94/818475094.db2.gz FTQOYFOLMRJQRF-VHSXEESVSA-N -1 3 255.308 3.291 20 0 CGADHM CC[C@H]1CCCCN1Cc1ccc(F)c([O-])c1F ZINC001232938094 818477725 /nfs/dbraw/zinc/47/77/25/818477725.db2.gz ZULSHRDVYFVXOP-NSHDSACASA-N -1 3 255.308 3.435 20 0 CGADHM [O-]c1cc(CN2CCC23CCCC3)cc(F)c1F ZINC001232971049 818488347 /nfs/dbraw/zinc/48/83/47/818488347.db2.gz SACGFHWBJKVPFN-UHFFFAOYSA-N -1 3 253.292 3.189 20 0 CGADHM C[C@H]1CN(Cc2cc([O-])c(F)c(F)c2)C2(CC2)C1 ZINC001232975225 818489633 /nfs/dbraw/zinc/48/96/33/818489633.db2.gz HUPCWRCIJIYTLL-SECBINFHSA-N -1 3 253.292 3.045 20 0 CGADHM CN(Cc1cccs1)Cc1cc(Cl)ncc1[O-] ZINC001233036046 818506234 /nfs/dbraw/zinc/50/62/34/818506234.db2.gz KRJHCYSWYMXBOS-UHFFFAOYSA-N -1 3 268.769 3.134 20 0 CGADHM CN(CCOc1ccccc1)Cc1cccc([O-])c1F ZINC001233052661 818513484 /nfs/dbraw/zinc/51/34/84/818513484.db2.gz RVQKQTZKLUDSTF-UHFFFAOYSA-N -1 3 275.323 3.042 20 0 CGADHM CCOC(=O)[C@@H]1CCC[C@H]1Oc1cc(Cl)c([O-])cc1C ZINC001233592395 818652152 /nfs/dbraw/zinc/65/21/52/818652152.db2.gz MLLUJBFHXIMDQY-ZWNOBZJWSA-N -1 3 298.766 3.465 20 0 CGADHM Cc1ccc(OC[C@@H](C)Oc2ccc3occ([O-])c3c2)cc1 ZINC001233681345 818678889 /nfs/dbraw/zinc/67/88/89/818678889.db2.gz VKNKQBCTTIZFMC-CYBMUJFWSA-N -1 3 298.338 3.416 20 0 CGADHM CCC[C@@H](CC(=O)OCC)Oc1cccc([O-])c1F ZINC001233872460 818722602 /nfs/dbraw/zinc/72/26/02/818722602.db2.gz UQDIOJXUGLZGSW-JTQLQIEISA-N -1 3 270.300 3.032 20 0 CGADHM CC[C@H](C)CC[C@H](C)Oc1cccc([O-])c1C(N)=O ZINC001234149363 818792044 /nfs/dbraw/zinc/79/20/44/818792044.db2.gz NUVUAIXZTHHXGS-QWRGUYRKSA-N -1 3 265.353 3.085 20 0 CGADHM Cc1ccc([C@H](C)Oc2cccc([O-])c2C(N)=O)c(C)c1 ZINC001234148243 818792215 /nfs/dbraw/zinc/79/22/15/818792215.db2.gz FZIGXRFMWUEJEU-LBPRGKRZSA-N -1 3 285.343 3.248 20 0 CGADHM C[C@H]1C[C@@H](Oc2cccc([O-])c2C(N)=O)CC(C)(C)C1 ZINC001234148059 818792545 /nfs/dbraw/zinc/79/25/45/818792545.db2.gz CBYDFLDPDJHLOA-WDEREUQCSA-N -1 3 277.364 3.085 20 0 CGADHM CC/C=C(\C)[C@@H](CC)Oc1cccc([O-])c1C(N)=O ZINC001234154111 818793472 /nfs/dbraw/zinc/79/34/72/818793472.db2.gz SNHHGQWXLJVXEX-OFFHKIPUSA-N -1 3 263.337 3.005 20 0 CGADHM C[C@H](Oc1c(Cl)ccc([O-])c1F)c1cnccn1 ZINC001234263058 818819807 /nfs/dbraw/zinc/81/98/07/818819807.db2.gz PWKICXFBKMMTJC-ZETCQYMHSA-N -1 3 268.675 3.115 20 0 CGADHM COC[C@@H](C)OC[C@@H](C)Oc1c(Cl)ccc([O-])c1F ZINC001234262787 818820237 /nfs/dbraw/zinc/82/02/37/818820237.db2.gz HKQMMLUFHIAPBS-RKDXNWHRSA-N -1 3 292.734 3.004 20 0 CGADHM C[C@@H]1C[C@@H](Oc2c([O-])cc(Cl)cc2F)CCO1 ZINC001234443038 818855639 /nfs/dbraw/zinc/85/56/39/818855639.db2.gz AMCYIWGYWNGFKZ-APPZFPTMSA-N -1 3 260.692 3.131 20 0 CGADHM [O-]c1cc(Cl)cc(F)c1OC1CCSCC1 ZINC001234448421 818857399 /nfs/dbraw/zinc/85/73/99/818857399.db2.gz RVZZLCSUJWAZLE-UHFFFAOYSA-N -1 3 262.733 3.459 20 0 CGADHM [O-]c1cccc2[nH]c(O[C@@H]3CCc4ccccc4C3)nc21 ZINC001234448718 818857922 /nfs/dbraw/zinc/85/79/22/818857922.db2.gz YCNAPBXVCAOCHM-CYBMUJFWSA-N -1 3 280.327 3.205 20 0 CGADHM CCC[C@H](Oc1c([O-])cc(Cl)cc1F)C(=O)OCC ZINC001234448746 818858322 /nfs/dbraw/zinc/85/83/22/818858322.db2.gz XXLJIWFNGGKHPN-NSHDSACASA-N -1 3 290.718 3.295 20 0 CGADHM C[C@H]1CC[C@@H](Oc2nc[n-]c(=O)c2-c2ccccc2)C1 ZINC001234692969 818917169 /nfs/dbraw/zinc/91/71/69/818917169.db2.gz SCSIBSXNTWVVFJ-WCQYABFASA-N -1 3 270.332 3.417 20 0 CGADHM O=c1[n-]cnc(O[C@@H]2C[C@@H]3CC[C@H]2C3)c1-c1ccccc1 ZINC001234692377 818917558 /nfs/dbraw/zinc/91/75/58/818917558.db2.gz PIEBNYWWQGZLCY-KWCYVHTRSA-N -1 3 282.343 3.417 20 0 CGADHM CC/C=C\CCOC(=O)[C@H](C)Oc1nc2ccsc2[n-]1 ZINC001234846511 818931798 /nfs/dbraw/zinc/93/17/98/818931798.db2.gz COIXDVIHPWNWRE-LWTINBJPSA-N -1 3 294.376 3.291 20 0 CGADHM c1cc2nc(O[C@@H]3CCc4cccnc43)[n-]c2s1 ZINC001234847551 818932311 /nfs/dbraw/zinc/93/23/11/818932311.db2.gz KDZXEIVCIJNSGM-SNVBAGLBSA-N -1 3 257.318 3.086 20 0 CGADHM O=C([O-])C=Cc1ccc(-c2cncc3cc[nH]c32)cc1 ZINC001235458036 819104133 /nfs/dbraw/zinc/10/41/33/819104133.db2.gz GFMMKJHUYVVXHH-ZZXKWVIFSA-N -1 3 264.284 3.328 20 0 CGADHM COc1ccc2ncnc(-c3cc([O-])cc(Cl)c3)c2n1 ZINC001235898259 819207492 /nfs/dbraw/zinc/20/74/92/819207492.db2.gz DZFDVHXQBBLXFD-UHFFFAOYSA-N -1 3 287.706 3.059 20 0 CGADHM COC(=O)c1ccc(-c2cc([O-])cc(Cl)c2)nc1C ZINC001235899067 819208952 /nfs/dbraw/zinc/20/89/52/819208952.db2.gz BZRKTWIBHNGTJY-UHFFFAOYSA-N -1 3 277.707 3.203 20 0 CGADHM [O-]c1cc(Cl)cc(-c2nccnc2OC(F)F)c1 ZINC001235901301 819211060 /nfs/dbraw/zinc/21/10/60/819211060.db2.gz SRLBWGOWXJDKSF-UHFFFAOYSA-N -1 3 272.638 3.104 20 0 CGADHM COC(=O)c1ncc(F)cc1-c1cc([O-])cc(Cl)c1 ZINC001235904754 819214261 /nfs/dbraw/zinc/21/42/61/819214261.db2.gz PYFLZVHVJRDMJC-UHFFFAOYSA-N -1 3 281.670 3.033 20 0 CGADHM CCOc1cc(C)ccc1-c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001243416037 823397672 /nfs/dbraw/zinc/39/76/72/823397672.db2.gz POVUXHKCZPNSNR-UHFFFAOYSA-N -1 3 298.321 3.380 20 0 CGADHM CCOc1cc(C)ccc1-c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001243416037 823397680 /nfs/dbraw/zinc/39/76/80/823397680.db2.gz POVUXHKCZPNSNR-UHFFFAOYSA-N -1 3 298.321 3.380 20 0 CGADHM [O-]c1cc(CN2CCC3(CC3)C2)ccc1Br ZINC001236682540 819569559 /nfs/dbraw/zinc/56/95/59/819569559.db2.gz BFLAEPOJJYNSBZ-UHFFFAOYSA-N -1 3 282.181 3.141 20 0 CGADHM Cc1ccc(CN(C)Cc2sc(=O)[n-]c2Cl)cc1 ZINC001237150775 819679604 /nfs/dbraw/zinc/67/96/04/819679604.db2.gz RPULFNGVUGOIKI-UHFFFAOYSA-N -1 3 282.796 3.443 20 0 CGADHM O=c1[n-]c(Cl)c(CN2Cc3ccccc3C2)s1 ZINC001237162002 819684038 /nfs/dbraw/zinc/68/40/38/819684038.db2.gz SGIVJJFQFZZAPY-UHFFFAOYSA-N -1 3 266.753 3.018 20 0 CGADHM [O-]c1c(F)cc(CN2CCNC3=CCCC[C@H]32)cc1Cl ZINC001237227825 819706119 /nfs/dbraw/zinc/70/61/19/819706119.db2.gz DOBWXIWTMIBTNK-CQSZACIVSA-N -1 3 296.773 3.026 20 0 CGADHM COC1C[C@H]2CC[C@@H](C1)N2Cc1cc(F)c([O-])c(Cl)c1 ZINC001237993060 819905834 /nfs/dbraw/zinc/90/58/34/819905834.db2.gz PXDPIHWENNZNIP-FOSCPWQOSA-N -1 3 299.773 3.327 20 0 CGADHM CCOC(=O)Cc1ccccc1-c1cccc([O-])c1F ZINC001243544676 823437465 /nfs/dbraw/zinc/43/74/65/823437465.db2.gz JBNXJTJKFRZHBE-UHFFFAOYSA-N -1 3 274.291 3.304 20 0 CGADHM O=C1CCc2cc(-c3cccc([O-])c3F)ccc2O1 ZINC001243545028 823437542 /nfs/dbraw/zinc/43/75/42/823437542.db2.gz OAZQAUHADMPLFV-UHFFFAOYSA-N -1 3 258.248 3.050 20 0 CGADHM CCc1noc(-c2ccnc(-c3cccc([O-])c3F)c2)n1 ZINC001243545700 823438414 /nfs/dbraw/zinc/43/84/14/823438414.db2.gz CKWCJQVVRHZRGA-UHFFFAOYSA-N -1 3 285.278 3.206 20 0 CGADHM [O-]c1cccc(-c2cc(F)c3nccnc3c2)c1F ZINC001243546783 823438922 /nfs/dbraw/zinc/43/89/22/823438922.db2.gz GGKXPDDTHTVQDV-UHFFFAOYSA-N -1 3 258.227 3.281 20 0 CGADHM CC(C)Sc1ccc(-c2cccc([O-])c2F)nn1 ZINC001243546416 823439213 /nfs/dbraw/zinc/43/92/13/823439213.db2.gz MLGPXHIKADTQGP-UHFFFAOYSA-N -1 3 264.325 3.489 20 0 CGADHM CC1CC(N(C)Cc2cc(Cl)c([O-])cc2F)C1 ZINC001238143642 819941212 /nfs/dbraw/zinc/94/12/12/819941212.db2.gz OYGDTXFVHPWXHG-UHFFFAOYSA-N -1 3 257.736 3.415 20 0 CGADHM Cc1cc(C(=O)[O-])ccc1CN1CCCC[C@@H](F)C1 ZINC001238142853 819941388 /nfs/dbraw/zinc/94/13/88/819941388.db2.gz UJEAFWGUGWVIJC-CQSZACIVSA-N -1 3 265.328 3.017 20 0 CGADHM COC(=O)c1cc2cccc(-c3cccc([O-])c3F)c2[nH]1 ZINC001243547130 823439603 /nfs/dbraw/zinc/43/96/03/823439603.db2.gz NCGSBNWAHYJQEY-UHFFFAOYSA-N -1 3 285.274 3.466 20 0 CGADHM O=C1CCCc2cc(-c3cccc([O-])c3F)ccc2N1 ZINC001243547238 823439919 /nfs/dbraw/zinc/43/99/19/823439919.db2.gz OKXVPXZXRKTPFB-UHFFFAOYSA-N -1 3 271.291 3.473 20 0 CGADHM Cc1ncc2ccc(-c3cccc([O-])c3F)cc2n1 ZINC001243547888 823440138 /nfs/dbraw/zinc/44/01/38/823440138.db2.gz VVCBSMLAFOANQO-UHFFFAOYSA-N -1 3 254.264 3.450 20 0 CGADHM CSc1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC001239499952 820348712 /nfs/dbraw/zinc/34/87/12/820348712.db2.gz ZWRVOFJZCNTYEB-UHFFFAOYSA-N -1 3 268.345 3.256 20 0 CGADHM CSc1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC001239499952 820348723 /nfs/dbraw/zinc/34/87/23/820348723.db2.gz ZWRVOFJZCNTYEB-UHFFFAOYSA-N -1 3 268.345 3.256 20 0 CGADHM Cc1cccc(C)c1-c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001239599204 820445623 /nfs/dbraw/zinc/44/56/23/820445623.db2.gz IIVCCJQTXIZJPN-UHFFFAOYSA-N -1 3 268.295 3.290 20 0 CGADHM Cc1cccc(C)c1-c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001239599204 820445629 /nfs/dbraw/zinc/44/56/29/820445629.db2.gz IIVCCJQTXIZJPN-UHFFFAOYSA-N -1 3 268.295 3.290 20 0 CGADHM CCc1ccccc1-c1ccc(Cc2nnn[n-]2)cc1 ZINC001239744608 820566510 /nfs/dbraw/zinc/56/65/10/820566510.db2.gz BSJLFSOSQUYTPM-UHFFFAOYSA-N -1 3 264.332 3.020 20 0 CGADHM CCc1ccccc1-c1ccc(Cc2nn[n-]n2)cc1 ZINC001239744608 820566514 /nfs/dbraw/zinc/56/65/14/820566514.db2.gz BSJLFSOSQUYTPM-UHFFFAOYSA-N -1 3 264.332 3.020 20 0 CGADHM c1cc2cc(-c3cccc(-c4nnn[n-]4)c3)ccc2o1 ZINC001240425948 821047372 /nfs/dbraw/zinc/04/73/72/821047372.db2.gz RRZGHVCTABPOLY-UHFFFAOYSA-N -1 3 262.272 3.280 20 0 CGADHM c1cc2cc(-c3cccc(-c4nn[n-]n4)c3)ccc2o1 ZINC001240425948 821047380 /nfs/dbraw/zinc/04/73/80/821047380.db2.gz RRZGHVCTABPOLY-UHFFFAOYSA-N -1 3 262.272 3.280 20 0 CGADHM COC(=O)c1nc2nc(-c3ccc4occc4c3)ccc2[n-]1 ZINC001240426107 821047769 /nfs/dbraw/zinc/04/77/69/821047769.db2.gz VPRHPLYYXYLSIS-UHFFFAOYSA-N -1 3 293.282 3.158 20 0 CGADHM COC(=O)c1nc2ccc(-c3ccc4occc4c3)nc2[n-]1 ZINC001240426107 821047778 /nfs/dbraw/zinc/04/77/78/821047778.db2.gz VPRHPLYYXYLSIS-UHFFFAOYSA-N -1 3 293.282 3.158 20 0 CGADHM COC(=O)c1nc2ccc(-c3ccc4occc4c3)[n-]c-2n1 ZINC001240426107 821047787 /nfs/dbraw/zinc/04/77/87/821047787.db2.gz VPRHPLYYXYLSIS-UHFFFAOYSA-N -1 3 293.282 3.158 20 0 CGADHM FC(F)c1cccc(-c2ccc(-c3nnn[n-]3)cc2)c1 ZINC001240691806 821247977 /nfs/dbraw/zinc/24/79/77/821247977.db2.gz XBCFMCSCNLUTOR-UHFFFAOYSA-N -1 3 272.258 3.471 20 0 CGADHM FC(F)c1cccc(-c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001240691806 821247985 /nfs/dbraw/zinc/24/79/85/821247985.db2.gz XBCFMCSCNLUTOR-UHFFFAOYSA-N -1 3 272.258 3.471 20 0 CGADHM CCOC(=O)/C=C/c1ccc(-c2ccc([O-])c(F)c2)nc1 ZINC001240782166 821321948 /nfs/dbraw/zinc/32/19/48/821321948.db2.gz SJITUEXPJDQUOU-XBXARRHUSA-N -1 3 287.290 3.170 20 0 CGADHM CC(=O)O[C@H]1Cc2ccc(-c3ccc([O-])c(F)c3)cc2C1 ZINC001240785942 821325072 /nfs/dbraw/zinc/32/50/72/821325072.db2.gz VYQXNIJJBSZVHD-HNNXBMFYSA-N -1 3 286.302 3.229 20 0 CGADHM [O-]c1ccc(-c2ccc(N3CCOCC3)cc2F)cc1F ZINC001240786775 821327192 /nfs/dbraw/zinc/32/71/92/821327192.db2.gz UOZXKECNWHFIOS-UHFFFAOYSA-N -1 3 291.297 3.174 20 0 CGADHM COCc1cc(-c2ccc([O-])c(F)c2)nc(C(C)(C)C)n1 ZINC001240786113 821327935 /nfs/dbraw/zinc/32/79/35/821327935.db2.gz MEWRPJDLWUKXRU-UHFFFAOYSA-N -1 3 290.338 3.432 20 0 CGADHM CC1(C)CNC(=O)c2cc(-c3ccc([O-])c(F)c3)ccc21 ZINC001240789688 821332254 /nfs/dbraw/zinc/33/22/54/821332254.db2.gz AIEAFIXFXSMIPJ-UHFFFAOYSA-N -1 3 285.318 3.219 20 0 CGADHM COc1ccnc2cc(-c3ccc([O-])c(F)c3)cnc21 ZINC001240790064 821333208 /nfs/dbraw/zinc/33/32/08/821333208.db2.gz JCPRWMSSJLIPJW-UHFFFAOYSA-N -1 3 270.263 3.150 20 0 CGADHM CC(C)S(=O)(=O)c1ccc(-c2ccc([O-])c(F)c2)cc1 ZINC001240790594 821334634 /nfs/dbraw/zinc/33/46/34/821334634.db2.gz PULVXJHGTFKSRN-UHFFFAOYSA-N -1 3 294.347 3.380 20 0 CGADHM Fc1ccc(-c2cc(F)c(F)c(F)c2)cc1-c1nnn[n-]1 ZINC001240982969 821465375 /nfs/dbraw/zinc/46/53/75/821465375.db2.gz OEMOTKGQWSFZNB-UHFFFAOYSA-N -1 3 294.211 3.090 20 0 CGADHM Fc1ccc(-c2cc(F)c(F)c(F)c2)cc1-c1nn[n-]n1 ZINC001240982969 821465376 /nfs/dbraw/zinc/46/53/76/821465376.db2.gz OEMOTKGQWSFZNB-UHFFFAOYSA-N -1 3 294.211 3.090 20 0 CGADHM COc1ccc2ncc(-c3ccccc3[O-])nc2c1 ZINC001241003111 821482441 /nfs/dbraw/zinc/48/24/41/821482441.db2.gz GYIIRXMBBDRMBH-UHFFFAOYSA-N -1 3 252.273 3.011 20 0 CGADHM COc1cccc2ncnc(-c3ccccc3[O-])c21 ZINC001241007988 821485859 /nfs/dbraw/zinc/48/58/59/821485859.db2.gz DIUDXKFYTFJQQL-UHFFFAOYSA-N -1 3 252.273 3.011 20 0 CGADHM [O-]c1ccccc1-c1ccnc(Cc2ccccc2)n1 ZINC001241009498 821486481 /nfs/dbraw/zinc/48/64/81/821486481.db2.gz SNVWPPAMGULGKY-UHFFFAOYSA-N -1 3 262.312 3.440 20 0 CGADHM Cc1ccc(-c2nc(C)nc3cccnc32)c([O-])c1 ZINC001241036210 821511364 /nfs/dbraw/zinc/51/13/64/821511364.db2.gz PFZXIUITNKDCTN-UHFFFAOYSA-N -1 3 251.289 3.014 20 0 CGADHM Cc1ccc(-c2ncccc2C(=O)NC(C)(C)C)c([O-])c1 ZINC001241036111 821511467 /nfs/dbraw/zinc/51/14/67/821511467.db2.gz NUCYMLPQNNZBMW-UHFFFAOYSA-N -1 3 284.359 3.291 20 0 CGADHM CC(=O)Nc1c(C)ccnc1-c1ccc(C)cc1[O-] ZINC001241036225 821511858 /nfs/dbraw/zinc/51/18/58/821511858.db2.gz PSLHNMWSAARQLC-UHFFFAOYSA-N -1 3 256.305 3.029 20 0 CGADHM CCOc1ccc(C)cc1-c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001241147186 821600225 /nfs/dbraw/zinc/60/02/25/821600225.db2.gz GEWXSOWVIQZQCA-UHFFFAOYSA-N -1 3 298.321 3.380 20 0 CGADHM CCOc1ccc(C)cc1-c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001241147186 821600230 /nfs/dbraw/zinc/60/02/30/821600230.db2.gz GEWXSOWVIQZQCA-UHFFFAOYSA-N -1 3 298.321 3.380 20 0 CGADHM CCOc1cccc(F)c1-c1ccccc1-c1nnn[n-]1 ZINC001241250282 821672378 /nfs/dbraw/zinc/67/23/78/821672378.db2.gz PYPDHOAPDCHQNI-UHFFFAOYSA-N -1 3 284.294 3.072 20 0 CGADHM CCOc1cccc(F)c1-c1ccccc1-c1nn[n-]n1 ZINC001241250282 821672384 /nfs/dbraw/zinc/67/23/84/821672384.db2.gz PYPDHOAPDCHQNI-UHFFFAOYSA-N -1 3 284.294 3.072 20 0 CGADHM CCOc1cccc(F)c1-c1ccc(-c2nnn[n-]2)cc1C ZINC001241252573 821673982 /nfs/dbraw/zinc/67/39/82/821673982.db2.gz RFJISOYZPGBKSL-UHFFFAOYSA-N -1 3 298.321 3.380 20 0 CGADHM CCOc1cccc(F)c1-c1ccc(-c2nn[n-]n2)cc1C ZINC001241252573 821673984 /nfs/dbraw/zinc/67/39/84/821673984.db2.gz RFJISOYZPGBKSL-UHFFFAOYSA-N -1 3 298.321 3.380 20 0 CGADHM COc1ccc2nc(C)nc(-c3cc([O-])cc(F)c3)c2c1 ZINC001241256001 821675714 /nfs/dbraw/zinc/67/57/14/821675714.db2.gz JJZDFROAYJNTRM-UHFFFAOYSA-N -1 3 284.290 3.459 20 0 CGADHM CCOC(=O)/C=C/c1cccnc1-c1cc([O-])cc(F)c1 ZINC001241258202 821678195 /nfs/dbraw/zinc/67/81/95/821678195.db2.gz VWWDPGQHOVYOLZ-AATRIKPKSA-N -1 3 287.290 3.170 20 0 CGADHM CC(=O)c1ccc(-c2ccc(C)c(-c3nnn[n-]3)c2)cc1F ZINC001241259917 821680245 /nfs/dbraw/zinc/68/02/45/821680245.db2.gz AUPQKZVMIHOQGZ-UHFFFAOYSA-N -1 3 296.305 3.184 20 0 CGADHM CC(=O)c1ccc(-c2ccc(C)c(-c3nn[n-]n3)c2)cc1F ZINC001241259917 821680248 /nfs/dbraw/zinc/68/02/48/821680248.db2.gz AUPQKZVMIHOQGZ-UHFFFAOYSA-N -1 3 296.305 3.184 20 0 CGADHM [O-]c1cc(F)cc(-c2ccc3ncc(F)cc3n2)c1 ZINC001241261617 821681120 /nfs/dbraw/zinc/68/11/20/821681120.db2.gz DJAAPMGBUOVBTE-UHFFFAOYSA-N -1 3 258.227 3.281 20 0 CGADHM Cc1[nH]c2c(ncnc2-c2cc([O-])cc(F)c2)c1C ZINC001241262079 821681615 /nfs/dbraw/zinc/68/16/15/821681615.db2.gz JCWNIKXNPLZSEW-UHFFFAOYSA-N -1 3 257.268 3.086 20 0 CGADHM CC(C)(C)c1nc2[nH]cnc2c(-c2cc([O-])cc(F)c2)n1 ZINC001241262984 821682426 /nfs/dbraw/zinc/68/24/26/821682426.db2.gz USQFTMZIDMSZQQ-UHFFFAOYSA-N -1 3 286.310 3.114 20 0 CGADHM COC(=O)Nc1cccc(-c2cc([O-])cc(F)c2)c1 ZINC001241271852 821689627 /nfs/dbraw/zinc/68/96/27/821689627.db2.gz ULBSWKIULPYLOD-UHFFFAOYSA-N -1 3 261.252 3.377 20 0 CGADHM COC(=O)c1cc(-c2cc([O-])cc(F)c2)cc2cc[nH]c21 ZINC001241272522 821691273 /nfs/dbraw/zinc/69/12/73/821691273.db2.gz RRCMIYGVUVSICH-UHFFFAOYSA-N -1 3 285.274 3.466 20 0 CGADHM COC(=O)c1cc(-c2cc([O-])cc(F)c2)c(OC)cc1C ZINC001241277806 821696481 /nfs/dbraw/zinc/69/64/81/821696481.db2.gz QOXNJOVQSUWDPP-UHFFFAOYSA-N -1 3 290.290 3.302 20 0 CGADHM [O-]c1ccc(F)c(-c2ccc3c(c2)NCCO3)c1F ZINC001241291142 821707842 /nfs/dbraw/zinc/70/78/42/821707842.db2.gz KMMPJDFHKKBGSZ-UHFFFAOYSA-N -1 3 263.243 3.142 20 0 CGADHM COC(=O)c1c(C)cccc1-c1c(F)ccc([O-])c1F ZINC001241290717 821707999 /nfs/dbraw/zinc/70/79/99/821707999.db2.gz DYBZHCKLYNGMAX-UHFFFAOYSA-N -1 3 278.254 3.432 20 0 CGADHM COC(=O)Cc1ccc(-c2c(F)ccc([O-])c2F)cc1F ZINC001241293722 821713009 /nfs/dbraw/zinc/71/30/09/821713009.db2.gz LUIWRVULWDTTLZ-UHFFFAOYSA-N -1 3 296.244 3.192 20 0 CGADHM CSc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1F ZINC001241444450 821838280 /nfs/dbraw/zinc/83/82/80/821838280.db2.gz CUDNZBUCHJZWJG-UHFFFAOYSA-N -1 3 286.335 3.395 20 0 CGADHM CSc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1F ZINC001241444450 821838286 /nfs/dbraw/zinc/83/82/86/821838286.db2.gz CUDNZBUCHJZWJG-UHFFFAOYSA-N -1 3 286.335 3.395 20 0 CGADHM Cc1c(-c2ccc(-c3nnn[n-]3)cc2)ccc2cccnc21 ZINC001241445005 821840220 /nfs/dbraw/zinc/84/02/20/821840220.db2.gz HSHNUQCFWDQYHH-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM Cc1c(-c2ccc(-c3nn[n-]n3)cc2)ccc2cccnc21 ZINC001241445005 821840227 /nfs/dbraw/zinc/84/02/27/821840227.db2.gz HSHNUQCFWDQYHH-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM CSc1cc(-c2ccc(-c3nnn[n-]3)cc2)ccc1F ZINC001241446052 821841483 /nfs/dbraw/zinc/84/14/83/821841483.db2.gz IGWCPLMNJGFJBV-UHFFFAOYSA-N -1 3 286.335 3.395 20 0 CGADHM CSc1cc(-c2ccc(-c3nn[n-]n3)cc2)ccc1F ZINC001241446052 821841492 /nfs/dbraw/zinc/84/14/92/821841492.db2.gz IGWCPLMNJGFJBV-UHFFFAOYSA-N -1 3 286.335 3.395 20 0 CGADHM Cc1nc2c(cccc2-c2ccc(-c3nnn[n-]3)cc2)s1 ZINC001241445722 821841591 /nfs/dbraw/zinc/84/15/91/821841591.db2.gz VNEKADCRNXILNF-UHFFFAOYSA-N -1 3 293.355 3.452 20 0 CGADHM Cc1nc2c(cccc2-c2ccc(-c3nn[n-]n3)cc2)s1 ZINC001241445722 821841598 /nfs/dbraw/zinc/84/15/98/821841598.db2.gz VNEKADCRNXILNF-UHFFFAOYSA-N -1 3 293.355 3.452 20 0 CGADHM Cc1cn(C)c2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc12 ZINC001241446697 821843224 /nfs/dbraw/zinc/84/32/24/821843224.db2.gz NNXLVACGZPOBMZ-UHFFFAOYSA-N -1 3 289.342 3.334 20 0 CGADHM Cc1cn(C)c2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc12 ZINC001241446697 821843226 /nfs/dbraw/zinc/84/32/26/821843226.db2.gz NNXLVACGZPOBMZ-UHFFFAOYSA-N -1 3 289.342 3.334 20 0 CGADHM O=C([O-])c1cc(F)cc(-c2cncc3cc[nH]c32)c1 ZINC001241829057 822167444 /nfs/dbraw/zinc/16/74/44/822167444.db2.gz SGKVYPDGRAFXOV-UHFFFAOYSA-N -1 3 256.236 3.067 20 0 CGADHM Fc1ccc(-c2ccc3c(c2)CCCN3)cc1-c1nnn[n-]1 ZINC001241835802 822171521 /nfs/dbraw/zinc/17/15/21/822171521.db2.gz GTYHAOKVFUIHCB-UHFFFAOYSA-N -1 3 295.321 3.031 20 0 CGADHM Fc1ccc(-c2ccc3c(c2)CCCN3)cc1-c1nn[n-]n1 ZINC001241835802 822171527 /nfs/dbraw/zinc/17/15/27/822171527.db2.gz GTYHAOKVFUIHCB-UHFFFAOYSA-N -1 3 295.321 3.031 20 0 CGADHM Fc1cc(-c2nnn[n-]2)cc(-c2ccc3c(c2)CCCN3)c1 ZINC001241839455 822174972 /nfs/dbraw/zinc/17/49/72/822174972.db2.gz OWCTUZLNAYKEAA-UHFFFAOYSA-N -1 3 295.321 3.031 20 0 CGADHM Fc1cc(-c2nn[n-]n2)cc(-c2ccc3c(c2)CCCN3)c1 ZINC001241839455 822174977 /nfs/dbraw/zinc/17/49/77/822174977.db2.gz OWCTUZLNAYKEAA-UHFFFAOYSA-N -1 3 295.321 3.031 20 0 CGADHM CC1(C)C=C(c2cncc(-c3nnn[n-]3)c2)CC(C)(C)C1 ZINC001241894086 822200943 /nfs/dbraw/zinc/20/09/43/822200943.db2.gz UBVYZYGWSMNGJX-UHFFFAOYSA-N -1 3 283.379 3.491 20 0 CGADHM CC1(C)C=C(c2cncc(-c3nn[n-]n3)c2)CC(C)(C)C1 ZINC001241894086 822200946 /nfs/dbraw/zinc/20/09/46/822200946.db2.gz UBVYZYGWSMNGJX-UHFFFAOYSA-N -1 3 283.379 3.491 20 0 CGADHM CNC(=O)c1cccc(-c2ccc([O-])c(C(F)(F)F)c2)c1 ZINC001242156928 822898302 /nfs/dbraw/zinc/89/83/02/822898302.db2.gz BCMWKPGBHSFFQA-UHFFFAOYSA-N -1 3 295.260 3.438 20 0 CGADHM Nc1ccc2cccc(-c3ccc(F)cc3[O-])c2n1 ZINC001242219225 822915572 /nfs/dbraw/zinc/91/55/72/822915572.db2.gz OAILYMOSLJFLLI-UHFFFAOYSA-N -1 3 254.264 3.329 20 0 CGADHM COCOc1ccc(C)cc1-c1ccc(F)cc1[O-] ZINC001242219096 822915721 /nfs/dbraw/zinc/91/57/21/822915721.db2.gz XDQHEOTYNFQUGC-UHFFFAOYSA-N -1 3 262.280 3.489 20 0 CGADHM O=c1ccc(-c2ccc(F)cc2[O-])cn1Cc1ccccc1 ZINC001242218845 822915779 /nfs/dbraw/zinc/91/57/79/822915779.db2.gz RKKNENFECZILGY-UHFFFAOYSA-N -1 3 295.313 3.408 20 0 CGADHM COCc1cc(-c2ccc(F)cc2[O-])ccc1F ZINC001242219645 822916446 /nfs/dbraw/zinc/91/64/46/822916446.db2.gz ZALHPSLVRGSBPQ-UHFFFAOYSA-N -1 3 250.244 3.484 20 0 CGADHM [O-]c1cc(F)ccc1-c1ccc2nnc(C(F)(F)F)n2c1 ZINC001242220516 822916676 /nfs/dbraw/zinc/91/66/76/822916676.db2.gz BPKBYHAHWSCWRB-UHFFFAOYSA-N -1 3 297.211 3.260 20 0 CGADHM COc1cc2nc[nH]c2cc1-c1ccc(F)cc1[O-] ZINC001242220673 822916790 /nfs/dbraw/zinc/91/67/90/822916790.db2.gz KHVQFLRSBWLVJH-UHFFFAOYSA-N -1 3 258.252 3.083 20 0 CGADHM Cc1cc(-c2ccc(-c3nnn[n-]3)c(F)c2)ccc1N(C)C ZINC001242241856 822923693 /nfs/dbraw/zinc/92/36/93/822923693.db2.gz FCEXQJRWHILNCU-UHFFFAOYSA-N -1 3 297.337 3.047 20 0 CGADHM Cc1cc(-c2ccc(-c3nn[n-]n3)c(F)c2)ccc1N(C)C ZINC001242241856 822923694 /nfs/dbraw/zinc/92/36/94/822923694.db2.gz FCEXQJRWHILNCU-UHFFFAOYSA-N -1 3 297.337 3.047 20 0 CGADHM Cc1cc(-c2cc(-c3nnn[n-]3)ccc2F)ccc1N(C)C ZINC001242242047 822924215 /nfs/dbraw/zinc/92/42/15/822924215.db2.gz GOORCWBNCDBXJM-UHFFFAOYSA-N -1 3 297.337 3.047 20 0 CGADHM Cc1cc(-c2cc(-c3nn[n-]n3)ccc2F)ccc1N(C)C ZINC001242242047 822924217 /nfs/dbraw/zinc/92/42/17/822924217.db2.gz GOORCWBNCDBXJM-UHFFFAOYSA-N -1 3 297.337 3.047 20 0 CGADHM O=C([O-])Cc1cccc(-c2cc(N3CCCCC3)ccn2)c1 ZINC001242261080 822929446 /nfs/dbraw/zinc/92/94/46/822929446.db2.gz AUUFBZXZTRLRQS-UHFFFAOYSA-N -1 3 296.370 3.366 20 0 CGADHM Cc1ccc(-c2cccc3ccncc32)cc1-c1nnn[n-]1 ZINC001242370233 822970773 /nfs/dbraw/zinc/97/07/73/822970773.db2.gz LKRDHKGXHHBENP-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM Cc1ccc(-c2cccc3ccncc32)cc1-c1nn[n-]n1 ZINC001242370233 822970775 /nfs/dbraw/zinc/97/07/75/822970775.db2.gz LKRDHKGXHHBENP-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM Fc1ccc(-c2cccc3ccncc32)cc1-c1nnn[n-]1 ZINC001242372245 822971646 /nfs/dbraw/zinc/97/16/46/822971646.db2.gz FLNPBOLTBGVKDO-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Fc1ccc(-c2cccc3ccncc32)cc1-c1nn[n-]n1 ZINC001242372245 822971647 /nfs/dbraw/zinc/97/16/47/822971647.db2.gz FLNPBOLTBGVKDO-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM COc1cc(-c2ccc3c(c2)[N-]C(=S)C3)c(OC)cn1 ZINC001242429942 822991405 /nfs/dbraw/zinc/99/14/05/822991405.db2.gz YUUBYGUIIWLTOO-UHFFFAOYSA-N -1 3 286.356 3.061 20 0 CGADHM CC[C@@H](C)CC[C@@H](C)Oc1nc(C(=O)OC)ccc1[O-] ZINC001227826527 927270147 /nfs/dbraw/zinc/27/01/47/927270147.db2.gz SJZMTQHSZILNGC-GHMZBOCLSA-N -1 3 281.352 3.167 20 0 CGADHM CCc1csc(Sc2cc(Cl)nc(=O)[n-]2)n1 ZINC001421203571 937246630 /nfs/dbraw/zinc/24/66/30/937246630.db2.gz JLFJNJCJFYTPBL-UHFFFAOYSA-N -1 3 273.770 3.006 20 0 CGADHM Cc1ccc(CC(=O)[N-]OCc2ccccc2)cc1Cl ZINC001440903615 937334961 /nfs/dbraw/zinc/33/49/61/937334961.db2.gz SBCVRSUDIAIORX-UHFFFAOYSA-N -1 3 289.762 3.439 20 0 CGADHM C[C@H](NC(=O)c1ccccc1[O-])[C@@H]1CCC[C@H](C)C1 ZINC001451545044 937391285 /nfs/dbraw/zinc/39/12/85/937391285.db2.gz XNSKNWDACGRYDP-RWMBFGLXSA-N -1 3 261.365 3.337 20 0 CGADHM CC(=O)c1cc(NC(=O)c2cc(C)ccc2[O-])ccc1C ZINC001452485904 937395292 /nfs/dbraw/zinc/39/52/92/937395292.db2.gz BGXAANSCAILUNQ-UHFFFAOYSA-N -1 3 283.327 3.464 20 0 CGADHM CCC1CCN(Cc2cc(F)c([O-])c(F)c2)CC1 ZINC000133580123 931973281 /nfs/dbraw/zinc/97/32/81/931973281.db2.gz OVTYWBRJEUQHPX-UHFFFAOYSA-N -1 3 255.308 3.292 20 0 CGADHM [O-]c1cccc(OC2CCCC2)c1Br ZINC001229139989 932102681 /nfs/dbraw/zinc/10/26/81/932102681.db2.gz QJXYCXZIPBBZFZ-UHFFFAOYSA-N -1 3 257.127 3.476 20 0 CGADHM [O-]c1cccc(O[C@@H]2C[C@H]3C[C@H]3C2)c1Br ZINC001229140176 932103622 /nfs/dbraw/zinc/10/36/22/932103622.db2.gz VZRQNCMPDZWPEN-AYMMMOKOSA-N -1 3 269.138 3.332 20 0 CGADHM C[C@H](Oc1ccc(C(=O)CCN(C)C)cc1)C1=CC=C[CH]1 ZINC001229303527 932129092 /nfs/dbraw/zinc/12/90/92/932129092.db2.gz UCMDPUYSCCNSOL-AWEZNQCLSA-N -1 3 284.379 3.289 20 0 CGADHM Cc1csc2[n-]c(=S)nc(O[C@H]3CCO[C@H](C)C3)c12 ZINC001229351583 932137358 /nfs/dbraw/zinc/13/73/58/932137358.db2.gz BXQDEOSZTWIQSS-BDAKNGLRSA-N -1 3 296.417 3.235 20 0 CGADHM FC1(F)CC(Oc2nc(=S)[n-]c3sccc32)C1 ZINC001229570629 932173082 /nfs/dbraw/zinc/17/30/82/932173082.db2.gz SXDJNUYEZUSERB-UHFFFAOYSA-N -1 3 274.317 3.157 20 0 CGADHM Cc1nocc1[N-]C(=O)c1oc2ccc(F)cc2c1C ZINC001461261546 937573126 /nfs/dbraw/zinc/57/31/26/937573126.db2.gz CNNKNWWSIFQGGF-UHFFFAOYSA-N -1 3 274.251 3.429 20 0 CGADHM Cc1nc(O[C@@H](C)c2cccc(F)c2)c(C)c(=O)[n-]1 ZINC001229684346 932188576 /nfs/dbraw/zinc/18/85/76/932188576.db2.gz AIAWCUIFMQDQRP-VIFPVBQESA-N -1 3 262.284 3.078 20 0 CGADHM CC/C=C(\C)[C@@H](CC)Oc1ccccc1-c1nnn[n-]1 ZINC001229949866 932508189 /nfs/dbraw/zinc/50/81/89/932508189.db2.gz HEAUGVIBCXWYKI-RUNBWSAHSA-N -1 3 272.352 3.380 20 0 CGADHM CC/C=C(\C)[C@@H](CC)Oc1ccccc1-c1nn[n-]n1 ZINC001229949866 932508192 /nfs/dbraw/zinc/50/81/92/932508192.db2.gz HEAUGVIBCXWYKI-RUNBWSAHSA-N -1 3 272.352 3.380 20 0 CGADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)c1cccc(F)c1 ZINC001229953617 932508244 /nfs/dbraw/zinc/50/82/44/932508244.db2.gz BKTQUHYSGSBECF-JTQLQIEISA-N -1 3 284.294 3.146 20 0 CGADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)c1cccc(F)c1 ZINC001229953617 932508247 /nfs/dbraw/zinc/50/82/47/932508247.db2.gz BKTQUHYSGSBECF-JTQLQIEISA-N -1 3 284.294 3.146 20 0 CGADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)c1cccs1 ZINC001231072174 932671003 /nfs/dbraw/zinc/67/10/03/932671003.db2.gz ADFLASWAZFAERW-SECBINFHSA-N -1 3 272.333 3.068 20 0 CGADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)c1ccccc1F ZINC001231072683 932671070 /nfs/dbraw/zinc/67/10/70/932671070.db2.gz FQPIJWBZRMLKBT-SNVBAGLBSA-N -1 3 284.294 3.146 20 0 CGADHM C[C@H]1CC[C@H](Oc2[n-]c(=O)nc3cccc(F)c32)C1 ZINC001231074174 932672208 /nfs/dbraw/zinc/67/22/08/932672208.db2.gz MEDFWEMZRPOOSA-IUCAKERBSA-N -1 3 262.284 3.042 20 0 CGADHM Cc1ccc([C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001231077849 932674300 /nfs/dbraw/zinc/67/43/00/932674300.db2.gz XEFBKZOKLPPANH-LBPRGKRZSA-N -1 3 280.331 3.315 20 0 CGADHM CCOc1ccc(-c2ccc(=S)[n-]n2)c(F)c1F ZINC001241178084 932698303 /nfs/dbraw/zinc/69/83/03/932698303.db2.gz KTIVPYFBWNREDE-UHFFFAOYSA-N -1 3 268.288 3.109 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)[C@@H]2CC3CCC2CC3)o1 ZINC001463992870 937684198 /nfs/dbraw/zinc/68/41/98/937684198.db2.gz LBRJJBCVWJPUHV-ABXWRUBCSA-N -1 3 297.420 3.081 20 0 CGADHM O=C(Nc1cccc([O-])c1F)c1ncsc1C1CC1 ZINC001466118057 937706618 /nfs/dbraw/zinc/70/66/18/937706618.db2.gz DZTARDOJGVXWHJ-UHFFFAOYSA-N -1 3 278.308 3.118 20 0 CGADHM Nc1cc(F)ccc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC001466262530 937707765 /nfs/dbraw/zinc/70/77/65/937707765.db2.gz XDOWMEYDWBTECZ-UHFFFAOYSA-N -1 3 280.686 3.019 20 0 CGADHM CC(C)(Oc1ccccc1)C(=O)Nc1cc(F)ccc1[O-] ZINC001319630022 933904654 /nfs/dbraw/zinc/90/46/54/933904654.db2.gz GIVDORHJOQVRBF-UHFFFAOYSA-N -1 3 289.306 3.327 20 0 CGADHM CCSc1ccc(CC(=O)[N-]OC(C)(C)C)cc1 ZINC001319816869 933936767 /nfs/dbraw/zinc/93/67/67/933936767.db2.gz ICKMZLXFBGVUHN-UHFFFAOYSA-N -1 3 267.394 3.187 20 0 CGADHM C[C@H]1CC(C(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)C[C@H](C)C1 ZINC001468309340 937726783 /nfs/dbraw/zinc/72/67/83/937726783.db2.gz BETQUDIDQGERON-NXEZZACHSA-N -1 3 287.363 3.279 20 0 CGADHM Cc1ccc(C(=O)NC[C@H]2CCC[C@@H]2C2CC2)c([O-])c1 ZINC001469008118 937734143 /nfs/dbraw/zinc/73/41/43/937734143.db2.gz MFWONKHVLAJSLF-ZIAGYGMSSA-N -1 3 273.376 3.257 20 0 CGADHM CCOc1ccc(NC(=O)c2c(C)cccc2[O-])c(F)c1 ZINC001469141406 937735500 /nfs/dbraw/zinc/73/55/00/937735500.db2.gz VCGVVJIQNALPBH-UHFFFAOYSA-N -1 3 289.306 3.491 20 0 CGADHM CCC[C@H](CNC(=O)c1cc2sccc2c([O-])c1)OC ZINC001324574032 934526654 /nfs/dbraw/zinc/52/66/54/934526654.db2.gz GDFJVRYWFOBXJB-LLVKDONJSA-N -1 3 293.388 3.152 20 0 CGADHM CC(C)(CNC(=O)c1c([O-])cccc1O)C1CCCCC1 ZINC001472532882 937777026 /nfs/dbraw/zinc/77/70/26/937777026.db2.gz YLLMDSJUNSOXNE-UHFFFAOYSA-N -1 3 291.391 3.434 20 0 CGADHM C[C@H](NC(=O)c1c([O-])cccc1O)[C@H]1CCC[C@H](C)C1 ZINC001472578318 937778093 /nfs/dbraw/zinc/77/80/93/937778093.db2.gz AMZZWLPPGASRQJ-SRVKXCTJSA-N -1 3 277.364 3.042 20 0 CGADHM Cc1cccc(Oc2cccc(NC(=O)c3cnn[n-]3)c2)c1 ZINC001472612228 937778214 /nfs/dbraw/zinc/77/82/14/937778214.db2.gz LHPGSJPEUQTSAM-UHFFFAOYSA-N -1 3 294.314 3.158 20 0 CGADHM Cc1cccc(Oc2cccc(NC(=O)c3c[n-]nn3)c2)c1 ZINC001472612228 937778216 /nfs/dbraw/zinc/77/82/16/937778216.db2.gz LHPGSJPEUQTSAM-UHFFFAOYSA-N -1 3 294.314 3.158 20 0 CGADHM Cc1cccc(Oc2cccc(NC(=O)c3cn[n-]n3)c2)c1 ZINC001472612228 937778218 /nfs/dbraw/zinc/77/82/18/937778218.db2.gz LHPGSJPEUQTSAM-UHFFFAOYSA-N -1 3 294.314 3.158 20 0 CGADHM CS[C@H]1CC[C@H](N(C)Cc2c(F)ccc([O-])c2F)C1 ZINC001325010091 934882150 /nfs/dbraw/zinc/88/21/50/934882150.db2.gz FXQBNBSQAZXNEO-UWVGGRQHSA-N -1 3 287.375 3.386 20 0 CGADHM CC(C)(C)C(F)(F)CNCc1ccc([O-])c(F)c1 ZINC001474642026 937872371 /nfs/dbraw/zinc/87/23/71/937872371.db2.gz UNGHREJOXICYBM-UHFFFAOYSA-N -1 3 261.287 3.302 20 0 CGADHM CC(=O)c1ncc(C(=O)[N-]c2c(F)cccc2Cl)s1 ZINC001528654607 938068723 /nfs/dbraw/zinc/06/87/23/938068723.db2.gz ODNNBIACTOYBCT-UHFFFAOYSA-N -1 3 298.726 3.391 20 0 CGADHM CSc1ccsc1C(=O)[N-]c1conc1C ZINC001530847522 938079833 /nfs/dbraw/zinc/07/98/33/938079833.db2.gz UOWYTESBBLGSKO-UHFFFAOYSA-N -1 3 254.336 3.019 20 0 CGADHM C[C@@H]1CC[C@@H](OC(=O)c2cccc(Cl)c2[O-])C1 ZINC001537624808 938111962 /nfs/dbraw/zinc/11/19/62/938111962.db2.gz OEHLQMMHZJBYBT-RKDXNWHRSA-N -1 3 254.713 3.391 20 0 CGADHM Cc1conc1[N-]C(=O)c1cc2c(ccnc2Cl)o1 ZINC001539545038 938125079 /nfs/dbraw/zinc/12/50/79/938125079.db2.gz FUZKKBQNXHMZIU-UHFFFAOYSA-N -1 3 277.667 3.030 20 0 CGADHM Cc1cccc([O-])c1C(=O)N(C)Cc1ccc(F)c(F)c1 ZINC001540165557 938128441 /nfs/dbraw/zinc/12/84/41/938128441.db2.gz RIQHNQQEZBBSGQ-UHFFFAOYSA-N -1 3 291.297 3.251 20 0 CGADHM COc1ccc2c(c1)CCN(C(=O)c1ccccc1[O-])[C@@H]2C ZINC001551872898 938187907 /nfs/dbraw/zinc/18/79/07/938187907.db2.gz IZRMBFUGVXTQLV-GFCCVEGCSA-N -1 3 297.354 3.160 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])c1ccccc1-c1cn[nH]c1 ZINC001556082090 938201680 /nfs/dbraw/zinc/20/16/80/938201680.db2.gz YZTMTXDAIMSZNQ-UHFFFAOYSA-N -1 3 297.289 3.174 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])c1ccc(C(F)F)nc1 ZINC001556081537 938201716 /nfs/dbraw/zinc/20/17/16/938201716.db2.gz BIQJPKGCWALDSK-UHFFFAOYSA-N -1 3 282.221 3.116 20 0 CGADHM C[C@H](CCc1ccc(F)cc1)C(=O)Nc1ncccc1[O-] ZINC001556164794 938202208 /nfs/dbraw/zinc/20/22/08/938202208.db2.gz QBBNCZWNFAJCSE-LLVKDONJSA-N -1 3 288.322 3.134 20 0 CGADHM O=C(Nc1ncccc1[O-])c1ccc(Cl)c2occc21 ZINC001556164330 938202245 /nfs/dbraw/zinc/20/22/45/938202245.db2.gz AAYWIJHPFYPVGR-UHFFFAOYSA-N -1 3 288.690 3.439 20 0 CGADHM Cc1cc(C(F)F)oc1C(=O)Nc1nc(C)ccc1[O-] ZINC001556408676 938203586 /nfs/dbraw/zinc/20/35/86/938203586.db2.gz XCBBDAKBDRHNIO-UHFFFAOYSA-N -1 3 282.246 3.187 20 0 CGADHM CC[C@@H](C)[C@H](CNC(=O)c1ccc(C(C)C)cc1[O-])OC ZINC001556689613 938205031 /nfs/dbraw/zinc/20/50/31/938205031.db2.gz WZNDNHMFXOOUDH-WBMJQRKESA-N -1 3 293.407 3.307 20 0 CGADHM CCCC[C@H](C)C(=O)Nc1cc(C(=O)OC(C)(C)C)n[n-]1 ZINC001557148638 938208070 /nfs/dbraw/zinc/20/80/70/938208070.db2.gz BKPLPDZMVGDFKG-JTQLQIEISA-N -1 3 295.383 3.130 20 0 CGADHM CCCC[C@H](C)C(=O)Nc1cc(C(=O)OC(C)(C)C)[n-]n1 ZINC001557148638 938208071 /nfs/dbraw/zinc/20/80/71/938208071.db2.gz BKPLPDZMVGDFKG-JTQLQIEISA-N -1 3 295.383 3.130 20 0 CGADHM Cc1cccc(C(=O)Nc2ccc(N(C)C)c(F)c2)c1[O-] ZINC001558023791 938213108 /nfs/dbraw/zinc/21/31/08/938213108.db2.gz LHSJDUPBGPGDFH-UHFFFAOYSA-N -1 3 288.322 3.158 20 0 CGADHM CCc1ccc(C(=O)Nc2cccc3nccnc32)c([O-])c1 ZINC001558013639 938213119 /nfs/dbraw/zinc/21/31/19/938213119.db2.gz SGZCSCHVVWCHNX-UHFFFAOYSA-N -1 3 293.326 3.150 20 0 CGADHM Cc1cccc([O-])c1C(=O)NCc1cccc2[nH]ccc21 ZINC001558065845 938213265 /nfs/dbraw/zinc/21/32/65/938213265.db2.gz KWPNFYFJBKKPHI-UHFFFAOYSA-N -1 3 280.327 3.112 20 0 CGADHM CSc1ccc([O-])c(C(=O)NCC2(CC3CC3)CC2)c1 ZINC001558139275 938213719 /nfs/dbraw/zinc/21/37/19/938213719.db2.gz OSEBQQCGKIOAOH-UHFFFAOYSA-N -1 3 291.416 3.424 20 0 CGADHM CC1(C)C[C@@]1(C)CNC(=O)CCCc1ccc([O-])c(F)c1 ZINC001558144710 938213808 /nfs/dbraw/zinc/21/38/08/938213808.db2.gz KDSMGZLYDNEZCK-KRWDZBQOSA-N -1 3 293.382 3.406 20 0 CGADHM CCc1cccc(C(=O)Nc2cccnc2C2CC2)c1[O-] ZINC001558723057 938217407 /nfs/dbraw/zinc/21/74/07/938217407.db2.gz MRDXYJHQDPWPSF-UHFFFAOYSA-N -1 3 282.343 3.479 20 0 CGADHM CC(C)(C)[C@@H]1CCC[C@H]1NC(=O)c1c([O-])cccc1O ZINC001558996050 938218897 /nfs/dbraw/zinc/21/88/97/938218897.db2.gz ZCMMRCLMKMVRKM-GHMZBOCLSA-N -1 3 277.364 3.042 20 0 CGADHM COc1cc(F)c(F)cc1NCc1ccc([O-])c(F)c1 ZINC001560872075 938281111 /nfs/dbraw/zinc/28/11/11/938281111.db2.gz AKCGDPUEOFAPGK-UHFFFAOYSA-N -1 3 283.249 3.430 20 0 CGADHM C[C@H](c1ccc(F)c(F)c1)N1CCC[C@](C)(C(=O)[O-])C1 ZINC000227829750 959970538 /nfs/dbraw/zinc/97/05/38/959970538.db2.gz BWHHYKWWXJWNOD-BMIGLBTASA-N -1 3 283.318 3.213 20 0 CGADHM CCCC[C@H](N[C@@H](C)c1nc(C(=O)[O-])co1)C1CCC1 ZINC001595637866 960531138 /nfs/dbraw/zinc/53/11/38/960531138.db2.gz VUZMURZRZUUSQY-JQWIXIFHSA-N -1 3 280.368 3.382 20 0 CGADHM Cc1nc(C)c(NC(=O)c2c(C)cccc2[O-])s1 ZINC001566226970 960908068 /nfs/dbraw/zinc/90/80/68/960908068.db2.gz HYPJYPSPDIXDCD-UHFFFAOYSA-N -1 3 262.334 3.026 20 0 CGADHM COc1cccc([O-])c1C(=O)N[C@H](C)C1CCCCCC1 ZINC001567420272 961321021 /nfs/dbraw/zinc/32/10/21/961321021.db2.gz JJAPICFNODUELI-GFCCVEGCSA-N -1 3 291.391 3.490 20 0 CGADHM Cn1ccc2cccc(NC(=O)Cc3ccc([O-])c(F)c3)c21 ZINC001567635433 961378621 /nfs/dbraw/zinc/37/86/21/961378621.db2.gz NWGJIPRRVAIKQQ-UHFFFAOYSA-N -1 3 298.317 3.204 20 0 CGADHM C=C/C=C\CCSc1ccc(-c2nnn[n-]2)cc1F ZINC001573316812 962236529 /nfs/dbraw/zinc/23/65/29/962236529.db2.gz ZTENZUYYHYHBKG-ARJAWSKDSA-N -1 3 276.340 3.230 20 0 CGADHM C=C/C=C\CCSc1ccc(-c2nn[n-]n2)cc1F ZINC001573316812 962236546 /nfs/dbraw/zinc/23/65/46/962236546.db2.gz ZTENZUYYHYHBKG-ARJAWSKDSA-N -1 3 276.340 3.230 20 0 CGADHM CCNc1ccccc1CNCc1ccc(C(=O)[O-])cc1 ZINC001573888069 962283823 /nfs/dbraw/zinc/28/38/23/962283823.db2.gz OTKDTFLUENKQGJ-UHFFFAOYSA-N -1 3 284.359 3.106 20 0 CGADHM Fc1cccc(N[C@H]2CCCC3(CC3)C2)c1-c1nnn[n-]1 ZINC001581855426 962750737 /nfs/dbraw/zinc/75/07/37/962750737.db2.gz ZYQNEFQJCHBDOY-JTQLQIEISA-N -1 3 287.342 3.141 20 0 CGADHM Fc1cccc(N[C@H]2CCCC3(CC3)C2)c1-c1nn[n-]n1 ZINC001581855426 962750748 /nfs/dbraw/zinc/75/07/48/962750748.db2.gz ZYQNEFQJCHBDOY-JTQLQIEISA-N -1 3 287.342 3.141 20 0 CGADHM CSC[C@@H](C)NC(=O)c1cc2sccc2c([O-])c1 ZINC001586450702 963105986 /nfs/dbraw/zinc/10/59/86/963105986.db2.gz AVCBWHFUNHVCSV-MRVPVSSYSA-N -1 3 281.402 3.088 20 0 CGADHM CCc1cccc(C(=O)N[C@@H]2CCCc3occc32)c1[O-] ZINC001586772098 963139217 /nfs/dbraw/zinc/13/92/17/963139217.db2.gz XWCRJFDXUJZXOL-CQSZACIVSA-N -1 3 285.343 3.355 20 0 CGADHM CC(=O)c1ccc(-c2nnn[n-]2)c(N[C@@H]2CCC(C)(C)C2)c1 ZINC001588902734 963327576 /nfs/dbraw/zinc/32/75/76/963327576.db2.gz FGFWALBSHDOPAE-GFCCVEGCSA-N -1 3 299.378 3.060 20 0 CGADHM CC(=O)c1ccc(-c2nn[n-]n2)c(N[C@@H]2CCC(C)(C)C2)c1 ZINC001588902734 963327588 /nfs/dbraw/zinc/32/75/88/963327588.db2.gz FGFWALBSHDOPAE-GFCCVEGCSA-N -1 3 299.378 3.060 20 0 CGADHM CC(C)C[C@H](C[NH2+]Cc1cc([O-])cc(Cl)c1)CC(=O)[O-] ZINC001588894967 963328475 /nfs/dbraw/zinc/32/84/75/963328475.db2.gz UDHOBXRWENZYNF-NSHDSACASA-N -1 3 299.798 3.272 20 0 CGADHM CC(C)(C)C(F)(F)CNc1cccc(F)c1-c1nnn[n-]1 ZINC001589092425 963342255 /nfs/dbraw/zinc/34/22/55/963342255.db2.gz HIWRUTPCUCFWTD-UHFFFAOYSA-N -1 3 299.300 3.099 20 0 CGADHM CC(C)(C)C(F)(F)CNc1cccc(F)c1-c1nn[n-]n1 ZINC001589092425 963342265 /nfs/dbraw/zinc/34/22/65/963342265.db2.gz HIWRUTPCUCFWTD-UHFFFAOYSA-N -1 3 299.300 3.099 20 0 CGADHM C[C@@H](NCC(C)(C)C1CCC1)c1ncc(C(=O)[O-])s1 ZINC000314631181 963780726 /nfs/dbraw/zinc/78/07/26/963780726.db2.gz IWHAUMHUVFINHA-SECBINFHSA-N -1 3 282.409 3.318 20 0 CGADHM C[C@@H](C(=O)[O-])[C@H](NCC=C(Cl)Cl)c1ccccc1 ZINC001589468852 963987284 /nfs/dbraw/zinc/98/72/84/963987284.db2.gz FSVFDUNOFBBRCU-SKDRFNHKSA-N -1 3 288.174 3.357 20 0 CGADHM CC(C)CN(CC(C)C)c1cccc(F)c1-c1nnn[n-]1 ZINC001589618967 964006553 /nfs/dbraw/zinc/00/65/53/964006553.db2.gz ABOTWPKHHHVURM-UHFFFAOYSA-N -1 3 291.374 3.124 20 0 CGADHM CC(C)CN(CC(C)C)c1cccc(F)c1-c1nn[n-]n1 ZINC001589618967 964006564 /nfs/dbraw/zinc/00/65/64/964006564.db2.gz ABOTWPKHHHVURM-UHFFFAOYSA-N -1 3 291.374 3.124 20 0 CGADHM CCC[C@@H](C)CCNC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC001589661630 964011015 /nfs/dbraw/zinc/01/10/15/964011015.db2.gz DXRVUVGBZKMRIH-LLVKDONJSA-N -1 3 277.364 3.151 20 0 CGADHM O=C([O-])C[C@H]1CCCN(Cc2cc(Cl)cs2)C1 ZINC000093097065 967598839 /nfs/dbraw/zinc/59/88/39/967598839.db2.gz PIPLTBKKSBNYED-SECBINFHSA-N -1 3 273.785 3.088 20 0 CGADHM CC(C)c1[nH]c(CNCc2ccccc2)cc1C(=O)[O-] ZINC001591917909 976379732 /nfs/dbraw/zinc/37/97/32/976379732.db2.gz GMKQXROPUQCVTH-UHFFFAOYSA-N -1 3 272.348 3.126 20 0 CGADHM CCC(CC)N(CC)CC(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC001595114348 979462885 /nfs/dbraw/zinc/46/28/85/979462885.db2.gz FIPYESYBSSNZMH-UHFFFAOYSA-N -1 3 294.395 3.023 20 0 CGADHM CC[C@H](NCc1cc(C(=O)[O-])c(C)n1C)c1ccsc1 ZINC001595298569 980419043 /nfs/dbraw/zinc/41/90/43/980419043.db2.gz PQVMYDSPGPMFMB-AWEZNQCLSA-N -1 3 292.404 3.334 20 0 CGADHM CC[C@](C)(CC(=O)[O-])NCc1cc(-c2ccccc2)on1 ZINC001594825560 981986138 /nfs/dbraw/zinc/98/61/38/981986138.db2.gz ROSMCDQPXBVZON-MRXNPFEDSA-N -1 3 288.347 3.075 20 0 CGADHM CC(C)(CC(F)(F)F)NCc1ccc(C(=O)[O-])cc1F ZINC001590649156 990337192 /nfs/dbraw/zinc/33/71/92/990337192.db2.gz SPRUIVGIXDWNJO-UHFFFAOYSA-N -1 3 293.260 3.345 20 0 CGADHM CN(CCCF)Cc1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC001598476934 992094031 /nfs/dbraw/zinc/09/40/31/992094031.db2.gz BZWHZRQZBJPDTQ-UHFFFAOYSA-N -1 3 291.322 3.436 20 0 CGADHM COc1cc(CNCc2ccsc2C(=O)[O-])ccc1C ZINC001599415663 997503925 /nfs/dbraw/zinc/50/39/25/997503925.db2.gz YIAKOVOKDURKHQ-UHFFFAOYSA-N -1 3 291.372 3.053 20 0 CGADHM CO[C@@H]1CCCC[C@H]1NCc1cccc(C(=O)[O-])c1Cl ZINC001599322140 997600239 /nfs/dbraw/zinc/60/02/39/997600239.db2.gz IOUXCEHJKGJPHU-CHWSQXEVSA-N -1 3 297.782 3.085 20 0 CGADHM COC[C@H](CC(C)(C)C)N[C@H](C)c1cc(C(=O)[O-])co1 ZINC001599162828 998488182 /nfs/dbraw/zinc/48/81/82/998488182.db2.gz LITKIMAHTWDXIN-PWSUYJOCSA-N -1 3 283.368 3.080 20 0 CGADHM C[C@H](c1ncc(C(=O)[O-])s1)N(C)[C@H]1CCC[C@@H](C)C1 ZINC001594348573 999321745 /nfs/dbraw/zinc/32/17/45/999321745.db2.gz PVIOAMYQIJEPHS-MXWKQRLJSA-N -1 3 282.409 3.413 20 0 CGADHM Cc1ccc(CCCNC(=O)c2ccc(O)cc2[O-])c(C)c1 ZINC000620997366 349441574 /nfs/dbraw/zinc/44/15/74/349441574.db2.gz GUBRNPHCXFWPPR-UHFFFAOYSA-N -1 3 299.370 3.077 20 0 CGADHM CCc1ccc([O-])c(C(=O)N(C)C[C@H]2CC2(C)C)c1 ZINC000621048814 349451874 /nfs/dbraw/zinc/45/18/74/349451874.db2.gz ASWBMPPKLCOKBL-GFCCVEGCSA-N -1 3 261.365 3.073 20 0 CGADHM CCC[C@@H]1C[C@@H](C(=O)Nc2ccc([O-])cc2F)CCO1 ZINC000124494478 187140185 /nfs/dbraw/zinc/14/01/85/187140185.db2.gz ZSCBOEGFXTUXJR-CMPLNLGQSA-N -1 3 281.327 3.065 20 0 CGADHM CCC(C)(C)NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621396374 349518643 /nfs/dbraw/zinc/51/86/43/349518643.db2.gz UQLBACLWVUVJFV-UHFFFAOYSA-N -1 3 275.270 3.329 20 0 CGADHM CC[C@@H]1C[C@H](CC(=O)Nc2c(C)cccc2[O-])CCO1 ZINC000273050018 192030869 /nfs/dbraw/zinc/03/08/69/192030869.db2.gz FHFCAZSETKZFNQ-CHWSQXEVSA-N -1 3 277.364 3.234 20 0 CGADHM CC(C)[C@H]1C[C@@H](CC(=O)Nc2ccccc2[O-])CCO1 ZINC000273049937 192030962 /nfs/dbraw/zinc/03/09/62/192030962.db2.gz UYFIXMOWORCMOJ-SWLSCSKDSA-N -1 3 277.364 3.172 20 0 CGADHM COc1ccccc1-c1cc(=NC(=O)CC2CCCC2)[nH][n-]1 ZINC000621653538 349553267 /nfs/dbraw/zinc/55/32/67/349553267.db2.gz OUQWNBKTMZFRGS-UHFFFAOYSA-N -1 3 299.374 3.026 20 0 CGADHM C[C@@H](NC(=O)c1cc([O-])cc(C(F)(F)F)c1)C1CCC1 ZINC000621933015 349609542 /nfs/dbraw/zinc/60/95/42/349609542.db2.gz SMGGIXCSLGTMIW-MRVPVSSYSA-N -1 3 287.281 3.329 20 0 CGADHM C[C@H]1CCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)[C@H]1C ZINC000621900792 349605088 /nfs/dbraw/zinc/60/50/88/349605088.db2.gz HTZNEFMJISKVDV-IUCAKERBSA-N -1 3 287.281 3.282 20 0 CGADHM CCCC[C@@H](C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1)C(C)C ZINC000621985999 349618078 /nfs/dbraw/zinc/61/80/78/349618078.db2.gz VHSVQXUYNLGCLT-OCCSQVGLSA-N -1 3 293.411 3.084 20 0 CGADHM CC[C@@H](C)c1ncc(NC(=O)c2cccc(C)c2[O-])cn1 ZINC000436921996 529434763 /nfs/dbraw/zinc/43/47/63/529434763.db2.gz LQKYHCAICZAUJH-SNVBAGLBSA-N -1 3 285.347 3.256 20 0 CGADHM CC[C@@H](C)n1ncc(C(=O)Nc2ccccc2[O-])c1C ZINC000359193973 529441273 /nfs/dbraw/zinc/44/12/73/529441273.db2.gz WHOWIVVCLNHOFZ-SNVBAGLBSA-N -1 3 273.336 3.120 20 0 CGADHM CCc1ccc(C(=O)NCc2ccc(C)cc2)c([O-])c1 ZINC000622276713 349667080 /nfs/dbraw/zinc/66/70/80/349667080.db2.gz FAOVGLFPWYIXHF-UHFFFAOYSA-N -1 3 269.344 3.193 20 0 CGADHM CCc1cccc(C(=O)NCCc2cccc(F)c2)c1[O-] ZINC000622284868 349667861 /nfs/dbraw/zinc/66/78/61/349667861.db2.gz RXJJXZKENLQKGB-UHFFFAOYSA-N -1 3 287.334 3.066 20 0 CGADHM CCc1cccc(C(=O)NCc2cscc2C)c1[O-] ZINC000622563958 349687069 /nfs/dbraw/zinc/68/70/69/349687069.db2.gz SXWABRWGSXGEJZ-UHFFFAOYSA-N -1 3 275.373 3.255 20 0 CGADHM O=C(NCc1cc(C2CC2)ccc1F)c1cccc([O-])c1 ZINC000622628894 349691227 /nfs/dbraw/zinc/69/12/27/349691227.db2.gz PHBXBCFZQBHKPC-UHFFFAOYSA-N -1 3 285.318 3.339 20 0 CGADHM CCc1cc2c([n-]c(-c3ccncc3F)nc2=O)s1 ZINC000443415504 529570443 /nfs/dbraw/zinc/57/04/43/529570443.db2.gz IHXQQFQLDIEKSA-UHFFFAOYSA-N -1 3 275.308 3.160 20 0 CGADHM CC[C@H](NC(=O)c1ccc(C(C)=O)c([O-])c1)C1CCCC1 ZINC000412401964 529564788 /nfs/dbraw/zinc/56/47/88/529564788.db2.gz NOJKMLVASZHYPA-HNNXBMFYSA-N -1 3 289.375 3.293 20 0 CGADHM CCc1ccc(C(=O)NC[C@H]2CCC(F)(F)C2)c([O-])c1 ZINC000437004239 529604883 /nfs/dbraw/zinc/60/48/83/529604883.db2.gz UZYRIXAOUVADQT-NSHDSACASA-N -1 3 283.318 3.120 20 0 CGADHM CCc1ccc(C(=O)N[C@@H](C)Cc2cccc(O)c2)c([O-])c1 ZINC000436837527 529606630 /nfs/dbraw/zinc/60/66/30/529606630.db2.gz PEMRDCPXMSSWLO-LBPRGKRZSA-N -1 3 299.370 3.021 20 0 CGADHM CCc1ccc(C(=O)N2CCC[C@H](C(C)C)C2)c([O-])c1 ZINC000436842071 529595790 /nfs/dbraw/zinc/59/57/90/529595790.db2.gz VKPSELPAJLZMGD-AWEZNQCLSA-N -1 3 275.392 3.463 20 0 CGADHM O=C(N[C@H](C(F)F)C1CCCCC1)c1ccc(O)cc1[O-] ZINC000623008620 349749040 /nfs/dbraw/zinc/74/90/40/349749040.db2.gz CEZBBQKEDYEDJW-ZDUSSCGKSA-N -1 3 299.317 3.042 20 0 CGADHM CCc1cnc(CCNCc2c(F)ccc([O-])c2F)s1 ZINC000438825358 529640835 /nfs/dbraw/zinc/64/08/35/529640835.db2.gz ICJSZOQYUMLWSO-UHFFFAOYSA-N -1 3 298.358 3.022 20 0 CGADHM CCc1cnccc1[C@@H](C)NC(=O)c1ccc([O-])c(C)c1 ZINC000436939926 529677371 /nfs/dbraw/zinc/67/73/71/529677371.db2.gz SBNNASGRGBJCRV-GFCCVEGCSA-N -1 3 284.359 3.149 20 0 CGADHM CCc1ccc([C@H](C)NC(=O)c2ccc(O)cc2[O-])cc1 ZINC000436612985 529721091 /nfs/dbraw/zinc/72/10/91/529721091.db2.gz RPYLSTGNQLSYAP-NSHDSACASA-N -1 3 285.343 3.151 20 0 CGADHM CC[C@@H](CC(=O)Nc1ncccc1[O-])c1ccccc1 ZINC000351479135 219100983 /nfs/dbraw/zinc/10/09/83/219100983.db2.gz IRXOKLKCGYNUBX-LBPRGKRZSA-N -1 3 270.332 3.310 20 0 CGADHM CC1(C)CCC[C@](CO)(NCc2cccc([O-])c2Cl)C1 ZINC000623668353 349862053 /nfs/dbraw/zinc/86/20/53/349862053.db2.gz HPXZJECLMKJNTB-INIZCTEOSA-N -1 3 297.826 3.467 20 0 CGADHM Cc1cccc([O-])c1C(=O)N(C)[C@@H]1CCc2ccccc21 ZINC000623698391 349869022 /nfs/dbraw/zinc/86/90/22/349869022.db2.gz CPUUSQCIMRSZNE-OAHLLOKOSA-N -1 3 281.355 3.460 20 0 CGADHM O=C(N[C@@H]1CC2CCC1CC2)c1cc([O-])ccc1Cl ZINC000336813857 295712467 /nfs/dbraw/zinc/71/24/67/295712467.db2.gz DIAYAJJVGPVPLP-RPFQZYLTSA-N -1 3 279.767 3.354 20 0 CGADHM Cc1ccc(C(=O)N[C@@H](C)c2ccc(F)c(F)c2)c([O-])c1 ZINC000023547647 344897877 /nfs/dbraw/zinc/89/78/77/344897877.db2.gz XQSNZAJHAWKHBZ-JTQLQIEISA-N -1 3 291.297 3.470 20 0 CGADHM Cc1ccc(C(=O)NCCCOC2CCCCC2)c([O-])c1 ZINC000024480461 344899531 /nfs/dbraw/zinc/89/95/31/344899531.db2.gz MYMLHPKDNCQLCA-UHFFFAOYSA-N -1 3 291.391 3.170 20 0 CGADHM O=S(=O)([N-]CCC1CCCC1)c1ccc(Cl)s1 ZINC000030426978 344922760 /nfs/dbraw/zinc/92/27/60/344922760.db2.gz VQFBMKSWBDWPLR-UHFFFAOYSA-N -1 3 293.841 3.260 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2cccc(-c3cc[nH]n3)c2)c1 ZINC000031588871 344927349 /nfs/dbraw/zinc/92/73/49/344927349.db2.gz LQOHCTSRWZQDKM-UHFFFAOYSA-N -1 3 293.326 3.343 20 0 CGADHM CCc1ccc([C@H](C)NC(=O)c2ccc(OC)cc2[O-])cc1 ZINC000036623106 344943902 /nfs/dbraw/zinc/94/39/02/344943902.db2.gz IFNLDKGYSRDWTQ-LBPRGKRZSA-N -1 3 299.370 3.454 20 0 CGADHM CC(C)N(Cc1cc(C(=O)[O-])co1)Cc1ccccc1 ZINC000051330238 345089595 /nfs/dbraw/zinc/08/95/95/345089595.db2.gz ZNLKQIRXVQYUJC-UHFFFAOYSA-N -1 3 273.332 3.388 20 0 CGADHM C[C@H]1CCC[C@@H](CNC(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC000056266487 345161725 /nfs/dbraw/zinc/16/17/25/345161725.db2.gz OERNAFAPMZXZEZ-QWHCGFSZSA-N -1 3 298.386 3.084 20 0 CGADHM CCN(CC)c1ccc(C(=O)Nc2ccccc2[O-])cc1 ZINC000057026293 345171025 /nfs/dbraw/zinc/17/10/25/345171025.db2.gz VIXIQVCKNSCOMB-UHFFFAOYSA-N -1 3 284.359 3.491 20 0 CGADHM Cc1cc(N2CCC[C@](C)(C(=O)[O-])C2)c2ccccc2n1 ZINC000062874615 345241066 /nfs/dbraw/zinc/24/10/66/345241066.db2.gz JRAMKEODLWMIDO-KRWDZBQOSA-N -1 3 284.359 3.234 20 0 CGADHM CC(=O)[C@@H]1C[C@H](CC(=O)Nc2c(C)cccc2[O-])C1(C)C ZINC000273937356 192370612 /nfs/dbraw/zinc/37/06/12/192370612.db2.gz WSJCFDVTYIIGHC-OLZOCXBDSA-N -1 3 289.375 3.281 20 0 CGADHM C[C@H]1CN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)C[C@@H]1C ZINC000072870334 345419749 /nfs/dbraw/zinc/41/97/49/345419749.db2.gz QTWGXUAVWIPPAS-QWRGUYRKSA-N -1 3 297.358 3.169 20 0 CGADHM CCc1cccc(C(=O)N2C[C@@H]3CCCC[C@@H]3C2)c1[O-] ZINC000081808724 345718572 /nfs/dbraw/zinc/71/85/72/345718572.db2.gz JFRLALQPPLDDMK-OKILXGFUSA-N -1 3 273.376 3.217 20 0 CGADHM C[C@H](c1ccc(C(=O)[O-])o1)N1CCCc2ccccc2C1 ZINC000091782415 345823170 /nfs/dbraw/zinc/82/31/70/345823170.db2.gz ILDIXQDENMNEHO-GFCCVEGCSA-N -1 3 285.343 3.487 20 0 CGADHM CCc1cccc(C(=O)N2CCC[C@@H]3CCC[C@H]32)c1[O-] ZINC000091682044 345820478 /nfs/dbraw/zinc/82/04/78/345820478.db2.gz DGEGWJAZBVYZJT-DZGCQCFKSA-N -1 3 273.376 3.359 20 0 CGADHM C[C@H]1CC[C@H](C)N(Cc2ccc(C(=O)[O-])cc2F)C1 ZINC000088712477 345764042 /nfs/dbraw/zinc/76/40/42/345764042.db2.gz KIXHXNWMRQWJOY-QWRGUYRKSA-N -1 3 265.328 3.144 20 0 CGADHM C[C@@H]1[C@@H](C(=O)[O-])CCN1Cc1cccc(C(F)(F)F)c1 ZINC000092939113 345863148 /nfs/dbraw/zinc/86/31/48/345863148.db2.gz ISOYBRIWXCUGPS-SKDRFNHKSA-N -1 3 287.281 3.000 20 0 CGADHM CCc1cccc(C(=O)N(C)[C@@H](C)c2cccnc2)c1[O-] ZINC000094067919 345894745 /nfs/dbraw/zinc/89/47/45/345894745.db2.gz MGCRXGFVXVOPPI-LBPRGKRZSA-N -1 3 284.359 3.183 20 0 CGADHM CO[C@@H](C)CN(Cc1cccc([O-])c1Cl)C(C)C ZINC000351644478 219161028 /nfs/dbraw/zinc/16/10/28/219161028.db2.gz QLIUPKOTVXDVNQ-NSHDSACASA-N -1 3 271.788 3.291 20 0 CGADHM Cc1ccc(-c2csc([N-]C(=O)c3cocn3)n2)s1 ZINC000104828534 345925784 /nfs/dbraw/zinc/92/57/84/345925784.db2.gz QNIOENIZMWGLDP-UHFFFAOYSA-N -1 3 291.357 3.420 20 0 CGADHM CC[C@H]1c2ccccc2CCN1C(=O)c1ccc(O)cc1[O-] ZINC000114303806 345963819 /nfs/dbraw/zinc/96/38/19/345963819.db2.gz CLPUBFOISSXAEJ-INIZCTEOSA-N -1 3 297.354 3.247 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CCCc3cc(F)ccc32)c1 ZINC000122044527 346004011 /nfs/dbraw/zinc/00/40/11/346004011.db2.gz YYXZQNGRBNOBMA-UHFFFAOYSA-N -1 3 285.318 3.433 20 0 CGADHM Cc1ccc(C(=O)NC[C@H](c2cccnc2)C(C)C)c([O-])c1 ZINC000175332945 232317739 /nfs/dbraw/zinc/31/77/39/232317739.db2.gz BHXSIEIZDXLLPZ-INIZCTEOSA-N -1 3 298.386 3.265 20 0 CGADHM C[C@H](Cc1ccccc1)C(=O)Nc1cccc([O-])c1F ZINC000128372834 346040464 /nfs/dbraw/zinc/04/04/64/346040464.db2.gz WBPHVGROLVMKIR-LLVKDONJSA-N -1 3 273.307 3.349 20 0 CGADHM Cc1ccc(C(=O)NCc2ccc([O-])c(F)c2)c(C)c1 ZINC000133074536 346075522 /nfs/dbraw/zinc/07/55/22/346075522.db2.gz KZZVZHFVIXTWLB-UHFFFAOYSA-N -1 3 273.307 3.078 20 0 CGADHM Cc1cc(C)cc(CNCc2ccc(C(=O)[O-])cc2)c1 ZINC000141052679 346107068 /nfs/dbraw/zinc/10/70/68/346107068.db2.gz GWGPLJXRHXHLRS-UHFFFAOYSA-N -1 3 269.344 3.291 20 0 CGADHM Cc1ccc(F)c(NC(=O)c2cc(C(F)(F)F)n[n-]2)c1 ZINC000140312578 346103586 /nfs/dbraw/zinc/10/35/86/346103586.db2.gz XLVQNPFVJBRVCN-UHFFFAOYSA-N -1 3 287.216 3.128 20 0 CGADHM Cc1ccc(F)c(NC(=O)c2cc(C(F)(F)F)[n-]n2)c1 ZINC000140312578 346103590 /nfs/dbraw/zinc/10/35/90/346103590.db2.gz XLVQNPFVJBRVCN-UHFFFAOYSA-N -1 3 287.216 3.128 20 0 CGADHM Cc1ccc(C)c(NC(=O)c2cc(C(F)(F)F)n[n-]2)c1 ZINC000140316887 346103687 /nfs/dbraw/zinc/10/36/87/346103687.db2.gz VGBROZLCDQKGNR-UHFFFAOYSA-N -1 3 283.253 3.298 20 0 CGADHM Cc1ccc(C)c(NC(=O)c2cc(C(F)(F)F)[n-]n2)c1 ZINC000140316887 346103688 /nfs/dbraw/zinc/10/36/88/346103688.db2.gz VGBROZLCDQKGNR-UHFFFAOYSA-N -1 3 283.253 3.298 20 0 CGADHM C[C@H]1CCCC[C@H]1CNC(=O)NCc1ccc([O-])c(F)c1 ZINC000157729838 346162614 /nfs/dbraw/zinc/16/26/14/346162614.db2.gz OJDQNOMHVWWNBZ-AAEUAGOBSA-N -1 3 294.370 3.157 20 0 CGADHM Cc1cccc2c(CCC(=O)Nc3ncccc3[O-])c[nH]c21 ZINC000175023609 346246752 /nfs/dbraw/zinc/24/67/52/346246752.db2.gz XJYWJCDIGWGFDX-UHFFFAOYSA-N -1 3 295.342 3.148 20 0 CGADHM Cc1ccc(CN[C@H](C(=O)[O-])c2ccc(C)cc2)cc1 ZINC000212211439 346286409 /nfs/dbraw/zinc/28/64/09/346286409.db2.gz STZOLMHCPGHPSQ-INIZCTEOSA-N -1 3 269.344 3.219 20 0 CGADHM [O-]c1cccc(CNCc2cccc(O)c2)c1Cl ZINC000339216878 215018586 /nfs/dbraw/zinc/01/85/86/215018586.db2.gz FYTMSDPOWSVBNN-UHFFFAOYSA-N -1 3 263.724 3.041 20 0 CGADHM C[C@@H]1CCCN(Cc2ccc(F)cc2C(=O)[O-])[C@H]1C ZINC000252181330 346389874 /nfs/dbraw/zinc/38/98/74/346389874.db2.gz QBXOQWWQFYZOOG-MNOVXSKESA-N -1 3 265.328 3.144 20 0 CGADHM CC(=NNC(=O)c1ccccc1[O-])c1ccc(Cl)cc1 ZINC000254768779 346395603 /nfs/dbraw/zinc/39/56/03/346395603.db2.gz CUNPCJLYOVDYBT-UHFFFAOYSA-N -1 3 288.734 3.200 20 0 CGADHM C[C@@H](c1cccc2ccccc21)N1CCO[C@H](CC(=O)[O-])C1 ZINC000316868889 346486052 /nfs/dbraw/zinc/48/60/52/346486052.db2.gz KIUFYGRMQOAWIP-DZGCQCFKSA-N -1 3 299.370 3.076 20 0 CGADHM CC1(C)CC(NCc2cccc([O-])c2Br)C1 ZINC000315173655 346483153 /nfs/dbraw/zinc/48/31/53/346483153.db2.gz WXRHHDLXXRDPEH-UHFFFAOYSA-N -1 3 284.197 3.433 20 0 CGADHM O=C(Nc1ccc([O-])cc1Cl)[C@H]1CCC(F)(F)C1 ZINC000380027231 346556297 /nfs/dbraw/zinc/55/62/97/346556297.db2.gz WDEKLFXRRBPQGQ-ZETCQYMHSA-N -1 3 275.682 3.420 20 0 CGADHM C[C@@H]1CCC[C@H](CC(=O)N=c2cc(-c3cccnc3)[n-][nH]2)C1 ZINC000339280971 215062998 /nfs/dbraw/zinc/06/29/98/215062998.db2.gz HZKSABIATJTBCM-OLZOCXBDSA-N -1 3 298.390 3.049 20 0 CGADHM COc1ccc(F)c(NCc2c(F)ccc([O-])c2F)c1 ZINC000351838637 219221734 /nfs/dbraw/zinc/22/17/34/219221734.db2.gz KGJMKHGQESWOPB-UHFFFAOYSA-N -1 3 283.249 3.430 20 0 CGADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H]3CC3(C)C)nc2)n1 ZINC000597923933 347607195 /nfs/dbraw/zinc/60/71/95/347607195.db2.gz NZVFAGBWNXXPOU-GFCCVEGCSA-N -1 3 284.363 3.017 20 0 CGADHM Cc1c2occ([O-])c2ccc1OCCSC(C)C ZINC000601925416 347924264 /nfs/dbraw/zinc/92/42/64/347924264.db2.gz MPNOSJITBLKNGD-UHFFFAOYSA-N -1 3 266.362 3.091 20 0 CGADHM CC1=CCN(C(=O)c2ccc3c(c2[O-])CCCC3)CC1 ZINC000273346118 192121539 /nfs/dbraw/zinc/12/15/39/192121539.db2.gz RUZRVBOHMMMODJ-UHFFFAOYSA-N -1 3 271.360 3.063 20 0 CGADHM CC[C@@H](C)C(=O)N=c1[nH][n-]c(C)c1-c1cccc(Cl)c1 ZINC000608468358 348311142 /nfs/dbraw/zinc/31/11/42/348311142.db2.gz GCNZWZHQZJVSJD-SECBINFHSA-N -1 3 291.782 3.445 20 0 CGADHM CSc1ccc([O-])c(C(=O)N(C)[C@@H](C)C2(C)CC2)c1 ZINC000612084720 348492344 /nfs/dbraw/zinc/49/23/44/348492344.db2.gz RIYMEUPQLSDOPW-JTQLQIEISA-N -1 3 279.405 3.375 20 0 CGADHM Cc1ccc(C(=O)NCc2cc3ccccc3o2)c([O-])c1 ZINC000611891408 348479436 /nfs/dbraw/zinc/47/94/36/348479436.db2.gz ZVWZZWTYHIYCBM-UHFFFAOYSA-N -1 3 281.311 3.377 20 0 CGADHM CC(C)(CC(F)(F)F)C(=O)Nc1cc(F)ccc1[O-] ZINC000613028453 348560022 /nfs/dbraw/zinc/56/00/22/348560022.db2.gz PDKYYVWIKWRETE-UHFFFAOYSA-N -1 3 279.233 3.448 20 0 CGADHM CCC1(C(=O)NCc2ncccc2[O-])CCC(F)(F)CC1 ZINC000614256250 348662920 /nfs/dbraw/zinc/66/29/20/348662920.db2.gz XCYIFWBLLKFLDR-UHFFFAOYSA-N -1 3 298.333 3.009 20 0 CGADHM C[C@H]1CCN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)c2c([O-])cccc21 ZINC000613575463 348620396 /nfs/dbraw/zinc/62/03/96/348620396.db2.gz CZAYPLIPLDPLBA-WUHRBBMRSA-N -1 3 271.360 3.279 20 0 CGADHM CC[C@@H]1[C@H](C)CCN1C(=O)c1cc(SC)ccc1[O-] ZINC000613626822 348624153 /nfs/dbraw/zinc/62/41/53/348624153.db2.gz PUEVYIYOPLBUPA-ZWNOBZJWSA-N -1 3 279.405 3.375 20 0 CGADHM CO[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1[O-])C1CCC1 ZINC000614487759 348680158 /nfs/dbraw/zinc/68/01/58/348680158.db2.gz FDBKHWBCYSYEPZ-HNNXBMFYSA-N -1 3 291.391 3.443 20 0 CGADHM CC(C)[C@]1(C)C[C@H]1C(=O)NCc1ccc([O-])c2ncccc12 ZINC000616023382 348782163 /nfs/dbraw/zinc/78/21/63/348782163.db2.gz RGCCFWLOBLCPOL-KSSFIOAISA-N -1 3 298.386 3.239 20 0 CGADHM CSc1ccc([O-])c(C(=O)NC[C@@H](C)CC(F)F)c1 ZINC000616457936 348821668 /nfs/dbraw/zinc/82/16/68/348821668.db2.gz ALIHVKYRHQSTNR-QMMMGPOBSA-N -1 3 289.347 3.135 20 0 CGADHM CCC1(C(=O)Nc2ccc([O-])cc2Cl)CCOCC1 ZINC000616940997 348884778 /nfs/dbraw/zinc/88/47/78/348884778.db2.gz MVSNBBLRFHOEPR-UHFFFAOYSA-N -1 3 283.755 3.191 20 0 CGADHM Cc1oc(C2CC2)nc1C(=O)Nc1ccc([O-])cc1Cl ZINC000616939583 348884956 /nfs/dbraw/zinc/88/49/56/348884956.db2.gz HPZKRRVNEMHEFF-UHFFFAOYSA-N -1 3 292.722 3.472 20 0 CGADHM Cc1nc(C2CC2)oc1C(=O)Nc1ccc([O-])cc1Cl ZINC000616940768 348885132 /nfs/dbraw/zinc/88/51/32/348885132.db2.gz FDTYKDHXRUNMKD-UHFFFAOYSA-N -1 3 292.722 3.472 20 0 CGADHM Cc1cc(C(=O)Nc2ccc([O-])cc2Cl)nn1C(C)C ZINC000616942967 348885716 /nfs/dbraw/zinc/88/57/16/348885716.db2.gz JSYDHEMHBMBYKX-UHFFFAOYSA-N -1 3 293.754 3.384 20 0 CGADHM Cc1cccn2c(C=Cc3cc(=O)[n-]c(C4CC4)n3)cnc12 ZINC000352007917 219286561 /nfs/dbraw/zinc/28/65/61/219286561.db2.gz MRMSHILOWFEXET-VOTSOKGWSA-N -1 3 292.342 3.186 20 0 CGADHM Cc1cc(C)c(-c2cc(=NC(=O)[C@@H]3C[C@H]3C)[nH][n-]2)cc1C ZINC000617357410 348951952 /nfs/dbraw/zinc/95/19/52/348951952.db2.gz OBYNGUJKYJZANC-TZMCWYRMSA-N -1 3 283.375 3.018 20 0 CGADHM O=C(c1ccccc1[O-])N1CCC(c2ccco2)CC1 ZINC000617380155 348954417 /nfs/dbraw/zinc/95/44/17/348954417.db2.gz XTSIZYGFZJSGHK-UHFFFAOYSA-N -1 3 271.316 3.005 20 0 CGADHM CN(CCCC(=O)OC(C)(C)C)Cc1cc([O-])cc(F)c1 ZINC000352010280 219287954 /nfs/dbraw/zinc/28/79/54/219287954.db2.gz AUWBYLDBRDUTLB-UHFFFAOYSA-N -1 3 297.370 3.085 20 0 CGADHM O=C(c1cccc([O-])c1)N1CCC(C2CCC2)CC1 ZINC000617775371 349007176 /nfs/dbraw/zinc/00/71/76/349007176.db2.gz BUSNLNCDKZYCOM-UHFFFAOYSA-N -1 3 259.349 3.045 20 0 CGADHM CC(C)c1ccc(C(=O)N[C@H](C)c2cscn2)c([O-])c1 ZINC000617823648 349015549 /nfs/dbraw/zinc/01/55/49/349015549.db2.gz KBZRTSQMEYVTSO-SNVBAGLBSA-N -1 3 290.388 3.463 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2cnc(C(F)(F)F)s2)n1 ZINC000352026124 219292755 /nfs/dbraw/zinc/29/27/55/219292755.db2.gz ILKAISZQPOKQOM-NSCUHMNNSA-N -1 3 287.266 3.136 20 0 CGADHM COc1ccc2nc(C=Cc3nc(C)cc(=O)[n-]3)sc2c1 ZINC000352024961 219292238 /nfs/dbraw/zinc/29/22/38/219292238.db2.gz AWDJJHBNGQRRLI-AATRIKPKSA-N -1 3 299.355 3.279 20 0 CGADHM O=c1cc(C=Cc2cccc(F)c2)nc(C2CC2)[n-]1 ZINC000352028779 219294654 /nfs/dbraw/zinc/29/46/54/219294654.db2.gz WEJCBKHMGOPVAU-DAXSKMNVSA-N -1 3 256.280 3.369 20 0 CGADHM C=C/C(C)=C\CC(=O)Nc1ccc(C(=O)OCC)cc1[O-] ZINC000619582858 349259986 /nfs/dbraw/zinc/25/99/86/349259986.db2.gz VKKKOJVTHSTROW-WDZFZDKYSA-N -1 3 289.331 3.030 20 0 CGADHM COc1cccc(Cl)c1C=Cc1nc(C)cc(=O)[n-]1 ZINC000352040990 219300798 /nfs/dbraw/zinc/30/07/98/219300798.db2.gz URNMCIYLUXTLSH-VOTSOKGWSA-N -1 3 276.723 3.323 20 0 CGADHM CO[C@H](CNC(=O)c1ccc([O-])c(C)c1)C1CCCCC1 ZINC000620374529 349365413 /nfs/dbraw/zinc/36/54/13/349365413.db2.gz JLPGIMJLFKAQBB-MRXNPFEDSA-N -1 3 291.391 3.026 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CC[C@H](c2ccccc2)C1 ZINC000624891255 350114780 /nfs/dbraw/zinc/11/47/80/350114780.db2.gz XTHLYJIOWCVEPH-HNNXBMFYSA-N -1 3 281.355 3.330 20 0 CGADHM COc1ccc(CN(C)Cc2cc([O-])ccc2Cl)cn1 ZINC000625261554 350149724 /nfs/dbraw/zinc/14/97/24/350149724.db2.gz GWRPSYNHJQONDX-UHFFFAOYSA-N -1 3 292.766 3.081 20 0 CGADHM [O-]c1ccc(Cl)c(CN2CCOCC23CCCC3)c1 ZINC000625276748 350151761 /nfs/dbraw/zinc/15/17/61/350151761.db2.gz LZVJFUCENBAKSQ-UHFFFAOYSA-N -1 3 281.783 3.191 20 0 CGADHM Cc1nnc([C@@H](C)NCc2cc([O-])ccc2Cl)s1 ZINC000625323659 350159007 /nfs/dbraw/zinc/15/90/07/350159007.db2.gz CFODFIKZTORSAR-SSDOTTSWSA-N -1 3 283.784 3.056 20 0 CGADHM CC[C@@]1(C)CN(Cc2cc([O-])ccc2Cl)CCO1 ZINC000625359914 350163126 /nfs/dbraw/zinc/16/31/26/350163126.db2.gz KJZXKXYUPGRBMP-AWEZNQCLSA-N -1 3 269.772 3.047 20 0 CGADHM COc1ccc(C2(NC(=O)c3c(C)cccc3[O-])CC2)cc1 ZINC000625444146 350172338 /nfs/dbraw/zinc/17/23/38/350172338.db2.gz WENJLXAKNRYVMO-UHFFFAOYSA-N -1 3 297.354 3.128 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CCC[C@@H]1c1ccco1 ZINC000625673566 350195056 /nfs/dbraw/zinc/19/50/56/350195056.db2.gz OVJXYXSCNMJHSV-GFCCVEGCSA-N -1 3 271.316 3.271 20 0 CGADHM Cc1cccc([O-])c1C(=O)N(CC(C)C)CC(C)C ZINC000625540427 350183449 /nfs/dbraw/zinc/18/34/49/350183449.db2.gz RUWWOUJMJZHTCC-UHFFFAOYSA-N -1 3 263.381 3.455 20 0 CGADHM CC1(C)CC[C@@H](CO)N(Cc2cc([O-])ccc2Cl)C1 ZINC000625579256 350184915 /nfs/dbraw/zinc/18/49/15/350184915.db2.gz AODKRPOYWPBDKX-LBPRGKRZSA-N -1 3 283.799 3.029 20 0 CGADHM CC1(CC(F)(F)F)CN(Cc2cc([O-])cc(F)c2)C1 ZINC000459632796 535115119 /nfs/dbraw/zinc/11/51/19/535115119.db2.gz FMOSMYHJNMODDX-UHFFFAOYSA-N -1 3 277.261 3.306 20 0 CGADHM CCc1cccc(Cl)c1CN1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC000625970262 350237568 /nfs/dbraw/zinc/23/75/68/350237568.db2.gz MFUOBQBWLCEARB-AAEUAGOBSA-N -1 3 295.810 3.445 20 0 CGADHM COc1cccc2c1CC[C@H]2NC(=O)c1c(C)cccc1[O-] ZINC000626099741 350259226 /nfs/dbraw/zinc/25/92/26/350259226.db2.gz PORODTQWHVOIIK-CQSZACIVSA-N -1 3 297.354 3.127 20 0 CGADHM COc1ccc(NC(=O)[C@@H]2C[C@H]2c2cccc(C)c2)c([O-])c1 ZINC000626608198 350323049 /nfs/dbraw/zinc/32/30/49/350323049.db2.gz OYGLGJOKCVDGDC-LSDHHAIUSA-N -1 3 297.354 3.451 20 0 CGADHM Cc1cccc([O-])c1C(=O)NC1CCC(OC(C)C)CC1 ZINC000626242384 350286556 /nfs/dbraw/zinc/28/65/56/350286556.db2.gz AYRPQNZDTSONHE-UHFFFAOYSA-N -1 3 291.391 3.167 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CC[C@H](C)C[C@H](C)C1 ZINC000626243196 350287389 /nfs/dbraw/zinc/28/73/89/350287389.db2.gz LRYGZGAHVGHITD-RYUDHWBXSA-N -1 3 261.365 3.209 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CC(C)(C)[C@H]2CCC[C@H]21 ZINC000627546423 350365419 /nfs/dbraw/zinc/36/54/19/350365419.db2.gz ULOUNUZIWOFFLG-QWHCGFSZSA-N -1 3 273.376 3.351 20 0 CGADHM Cc1cc(=O)[n-]c(C(C)(C)NCc2cscc2Cl)n1 ZINC000628374993 350519846 /nfs/dbraw/zinc/51/98/46/350519846.db2.gz RMYCKNCSCQCYSQ-UHFFFAOYSA-N -1 3 297.811 3.230 20 0 CGADHM Cc1ccc(C(=O)N2CCCC(F)(F)CC2)c([O-])c1C ZINC000628634282 350580760 /nfs/dbraw/zinc/58/07/60/350580760.db2.gz PXQUEQWPSYRJIN-UHFFFAOYSA-N -1 3 283.318 3.270 20 0 CGADHM COc1ccc(C=Cc2nc(C)cc(=O)[n-]2)cc1OC1CC1 ZINC000629074944 350647945 /nfs/dbraw/zinc/64/79/45/350647945.db2.gz FVARPGRLNZTNRO-XBXARRHUSA-N -1 3 298.342 3.211 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2Cc3cccc(OC)c3C2)c1 ZINC000629113705 350653592 /nfs/dbraw/zinc/65/35/92/350653592.db2.gz VMCVUVLMTNGBBT-UHFFFAOYSA-N -1 3 297.354 3.119 20 0 CGADHM O=C([O-])[C@@H]1CCN(Cc2cc(F)cc(F)c2)[C@@H]2CCC[C@@H]21 ZINC000629373592 350682372 /nfs/dbraw/zinc/68/23/72/350682372.db2.gz KCLOQUUQEWJZAF-RBSFLKMASA-N -1 3 295.329 3.040 20 0 CGADHM Cc1cc(C(=O)N2CC[C@@H](c3ccc(O)cc3)C2)ccc1[O-] ZINC000629664838 350733311 /nfs/dbraw/zinc/73/33/11/350733311.db2.gz SEWISTARCZBGEB-OAHLLOKOSA-N -1 3 297.354 3.036 20 0 CGADHM O=C(NC[C@H]1CCCC12CC2)c1cc([O-])ccc1Cl ZINC000629832384 350771611 /nfs/dbraw/zinc/77/16/11/350771611.db2.gz YRJLEBPRRUIKBJ-SNVBAGLBSA-N -1 3 279.767 3.356 20 0 CGADHM C/C=C/C[C@@H]1CCCN(C(=O)c2cccc([O-])c2)C1 ZINC000629879778 350784583 /nfs/dbraw/zinc/78/45/83/350784583.db2.gz RNXCCECZJGKAFI-YWVDXFKGSA-N -1 3 259.349 3.211 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)[C@H]2CC23CCC3)c1-c1ccccc1F ZINC000630024380 350798386 /nfs/dbraw/zinc/79/83/86/350798386.db2.gz RJSZQRDUNUNNSE-GFCCVEGCSA-N -1 3 299.349 3.075 20 0 CGADHM C[C@H](C(=O)N1CC[C@H](C)c2cccc([O-])c21)c1ccncc1 ZINC000632506854 351202444 /nfs/dbraw/zinc/20/24/44/351202444.db2.gz LCUPQZUFEPKECO-STQMWFEESA-N -1 3 296.370 3.431 20 0 CGADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@@H]1CCCC12CC2 ZINC000633781880 351370769 /nfs/dbraw/zinc/37/07/69/351370769.db2.gz TXCJUYDYVUDUCR-OAHLLOKOSA-N -1 3 291.366 3.303 20 0 CGADHM Cc1c[nH]cc1C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000336511321 213388653 /nfs/dbraw/zinc/38/86/53/213388653.db2.gz AJMDDRWTXAXWGL-UHFFFAOYSA-N -1 3 264.712 3.243 20 0 CGADHM C[C@@H]1CCc2[n-]n(Cc3cccc(C(F)(F)F)c3)c(=O)c21 ZINC000634591080 351527273 /nfs/dbraw/zinc/52/72/73/351527273.db2.gz SIUDZWAFXFNPFQ-RNCFNFMXSA-N -1 3 296.292 3.450 20 0 CGADHM CCc1[n-]n(-c2ccc(OC)cc2)c(=O)c1C(C)C ZINC000634593293 351529839 /nfs/dbraw/zinc/52/98/39/351529839.db2.gz KZRJTJSUXGKTGA-AWEZNQCLSA-N -1 3 260.337 3.080 20 0 CGADHM CCc1noc(C)c1COc1ccc2c([O-])coc2c1C ZINC000634560371 351514794 /nfs/dbraw/zinc/51/47/94/351514794.db2.gz FZKZHATWUJJOTC-UHFFFAOYSA-N -1 3 287.315 3.008 20 0 CGADHM COCc1cccc(COc2cc3occ([O-])c3c(C)c2)c1 ZINC000634561286 351515211 /nfs/dbraw/zinc/51/52/11/351515211.db2.gz UXEMABZNINXMRS-UHFFFAOYSA-N -1 3 298.338 3.296 20 0 CGADHM CC(C)c1c(-c2ccccc2)[n-]n([C@H](C)C(F)(F)F)c1=O ZINC000634631176 351553198 /nfs/dbraw/zinc/55/31/98/351553198.db2.gz MNBZRZHUKBINCC-ZYHUDNBSSA-N -1 3 298.308 3.456 20 0 CGADHM Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(F)cc1C ZINC000635334199 351650666 /nfs/dbraw/zinc/65/06/66/351650666.db2.gz QYPISDWFABLKAR-UHFFFAOYSA-N -1 3 297.326 3.382 20 0 CGADHM Cc1cc(C2(C(=O)Nc3ccc(Cl)cc3[O-])CC2)on1 ZINC000635740260 351687337 /nfs/dbraw/zinc/68/73/37/351687337.db2.gz XWSIOMMAVKLDJG-UHFFFAOYSA-N -1 3 292.722 3.012 20 0 CGADHM CC[C@H](C)CON=C([O-])Nc1cc(C)ccc1OC ZINC000291659477 198054253 /nfs/dbraw/zinc/05/42/53/198054253.db2.gz AAPUKIDPBTXYMJ-JTQLQIEISA-N -1 3 266.341 3.103 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)Nc1cc(C)ccc1OC ZINC000291659477 198054255 /nfs/dbraw/zinc/05/42/55/198054255.db2.gz AAPUKIDPBTXYMJ-JTQLQIEISA-N -1 3 266.341 3.103 20 0 CGADHM Cc1ncc([N-]C(=O)c2c(F)c(F)cc(F)c2F)s1 ZINC000336470919 213339490 /nfs/dbraw/zinc/33/94/90/213339490.db2.gz RHVPOABDKALNEN-UHFFFAOYSA-N -1 3 290.241 3.260 20 0 CGADHM O=C(Cc1ccc(F)cc1Cl)[N-]OC1CCCC1 ZINC000271626696 191248092 /nfs/dbraw/zinc/24/80/92/191248092.db2.gz AWMGKVGALZLIPA-UHFFFAOYSA-N -1 3 271.719 3.012 20 0 CGADHM O=C([N-]OC1CCCC1)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000271639398 191253122 /nfs/dbraw/zinc/25/31/22/191253122.db2.gz CIYSSORYLYUVBW-GHMZBOCLSA-N -1 3 281.302 3.059 20 0 CGADHM CC[C@H](SC)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000153370629 188079315 /nfs/dbraw/zinc/07/93/15/188079315.db2.gz GKHIZCMWERWSMM-JTQLQIEISA-N -1 3 259.758 3.126 20 0 CGADHM O=C(Nc1ccc(Cl)cc1[O-])C1[C@@H]2CCC[C@H]12 ZINC000153472889 188084151 /nfs/dbraw/zinc/08/41/51/188084151.db2.gz DMDJDKLCXRXXIQ-USUYBEQLSA-N -1 3 251.713 3.030 20 0 CGADHM Cc1csc(S[C@H](C)c2nc(C)cc(=O)[n-]2)n1 ZINC000155889695 188233184 /nfs/dbraw/zinc/23/31/84/188233184.db2.gz CNZMTVODVPTSRC-MRVPVSSYSA-N -1 3 267.379 3.109 20 0 CGADHM COc1cccc(-c2nc([C@@H]3CCCCS3)no2)c1[O-] ZINC000157879466 188344355 /nfs/dbraw/zinc/34/43/55/188344355.db2.gz REILYDUHXGGDES-NSHDSACASA-N -1 3 292.360 3.409 20 0 CGADHM Cc1cc(Br)ccc1NC(=O)[N-]OCC1CC1 ZINC000292749970 198398916 /nfs/dbraw/zinc/39/89/16/198398916.db2.gz JUMWTVMXZGDTIS-UHFFFAOYSA-N -1 3 299.168 3.221 20 0 CGADHM CSCCCSCc1cc(=O)[n-]c(C2CC2)n1 ZINC000413009033 235242060 /nfs/dbraw/zinc/24/20/60/235242060.db2.gz PTCFSUFJUPLJCS-UHFFFAOYSA-N -1 3 270.423 3.046 20 0 CGADHM Cc1ccc(NC(=O)c2ccc(-c3ncon3)cc2)c([O-])c1 ZINC000107342694 138357773 /nfs/dbraw/zinc/35/77/73/138357773.db2.gz IXJJGOBTSLALKH-UHFFFAOYSA-N -1 3 295.298 3.003 20 0 CGADHM CC(C)c1[nH]ccc1C(=O)Nc1cccc([O-])c1F ZINC000336317454 213160211 /nfs/dbraw/zinc/16/02/11/213160211.db2.gz DNRHBNULXZWBAE-UHFFFAOYSA-N -1 3 262.284 3.235 20 0 CGADHM C[C@@H]1C[C@H](C(=O)[O-])CN(CCc2ccc(F)cc2Cl)C1 ZINC000422639340 235904858 /nfs/dbraw/zinc/90/48/58/235904858.db2.gz WNEZVNDZSSMZPA-PWSUYJOCSA-N -1 3 299.773 3.064 20 0 CGADHM N[C@@H](CC1CCCCC1)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000423706811 236102555 /nfs/dbraw/zinc/10/25/55/236102555.db2.gz JSLCRVGQZUWGIQ-LBPRGKRZSA-N -1 3 296.798 3.282 20 0 CGADHM CC(C)(C)C(=O)CCCC(=O)Nc1ccccc1[O-] ZINC000294397004 199025131 /nfs/dbraw/zinc/02/51/31/199025131.db2.gz DMWWAZRWUAENOL-UHFFFAOYSA-N -1 3 263.337 3.116 20 0 CGADHM O=C([O-])C[C@H](NCc1cccs1)c1ccsc1 ZINC000426684379 236306409 /nfs/dbraw/zinc/30/64/09/236306409.db2.gz ZHBNANABGXGQNV-NSHDSACASA-N -1 3 267.375 3.115 20 0 CGADHM C[C@H](C(=O)[O-])[C@H](NCc1ccc(F)cc1)c1ccccc1 ZINC000426741861 236310035 /nfs/dbraw/zinc/31/00/35/236310035.db2.gz HQIQCJPRRIJUOK-LRDDRELGSA-N -1 3 287.334 3.377 20 0 CGADHM Cc1cc(C)cc([C@@H](NCc2ccc(F)cc2)C(=O)[O-])c1 ZINC000426742272 236310557 /nfs/dbraw/zinc/31/05/57/236310557.db2.gz JEVWWKDMCCOVAZ-MRXNPFEDSA-N -1 3 287.334 3.358 20 0 CGADHM O=C([O-])[C@H](NCc1ccc(Cl)cc1)c1cccs1 ZINC000426805581 236315412 /nfs/dbraw/zinc/31/54/12/236315412.db2.gz CTLFDFQFTHOMRU-GFCCVEGCSA-N -1 3 281.764 3.317 20 0 CGADHM CC(C)(C)c1ccc([O-])c(NC(=O)c2cc3n(n2)CCC3)c1 ZINC000336208656 213032208 /nfs/dbraw/zinc/03/22/08/213032208.db2.gz XLODWLAMNLTHKS-UHFFFAOYSA-N -1 3 299.374 3.085 20 0 CGADHM C[C@@H]1CCCN1C(=O)CCc1ccc2ccccc2c1[O-] ZINC000294855567 199215071 /nfs/dbraw/zinc/21/50/71/199215071.db2.gz FXWKGPXEPKUNDZ-CYBMUJFWSA-N -1 3 283.371 3.489 20 0 CGADHM [O-]c1cc(F)cc(CNc2ccc3c(n2)CCC3)c1 ZINC000294888140 199232459 /nfs/dbraw/zinc/23/24/59/199232459.db2.gz QRFKUDOUWOSDJO-UHFFFAOYSA-N -1 3 258.296 3.027 20 0 CGADHM Cc1cccnc1CCCNCc1cccc([O-])c1Cl ZINC000294923769 199250926 /nfs/dbraw/zinc/25/09/26/199250926.db2.gz FVLWZPQMIOEXCN-UHFFFAOYSA-N -1 3 290.794 3.471 20 0 CGADHM Cc1ccccc1[C@H]1C[C@H](NC(=O)c2ccccc2[O-])C1 ZINC000436482742 237114579 /nfs/dbraw/zinc/11/45/79/237114579.db2.gz AYROHSMMLZMVPG-HDJSIYSDSA-N -1 3 281.355 3.377 20 0 CGADHM Cc1cc(C)cc(C[C@H](C)NC(=O)c2c([O-])cccc2O)c1 ZINC000436646797 237152786 /nfs/dbraw/zinc/15/27/86/237152786.db2.gz JFAVUOZVFUALSR-ZDUSSCGKSA-N -1 3 299.370 3.076 20 0 CGADHM Cc1ccc(C(=O)N[C@@H]2CCc3cc(F)ccc32)c([O-])c1 ZINC000436677277 237156298 /nfs/dbraw/zinc/15/62/98/237156298.db2.gz WMMPHNHYQAKELS-OAHLLOKOSA-N -1 3 285.318 3.257 20 0 CGADHM Cc1ccc(C(=O)N(Cc2cccnc2)C(C)C)c([O-])c1C ZINC000436566413 237134516 /nfs/dbraw/zinc/13/45/16/237134516.db2.gz XLEIZQRTGOXQDB-UHFFFAOYSA-N -1 3 298.386 3.455 20 0 CGADHM Cc1ccc(C(=O)N2C[C@H](C)CC[C@H]2C)c([O-])c1C ZINC000436579518 237137541 /nfs/dbraw/zinc/13/75/41/237137541.db2.gz ZTKHFAGJOQXFJN-ZYHUDNBSSA-N -1 3 261.365 3.270 20 0 CGADHM C[C@H](NC(=O)c1ccccc1[O-])[C@@H]1Oc2ccccc2[C@H]1C ZINC000436585640 237137702 /nfs/dbraw/zinc/13/77/02/237137702.db2.gz KKECNCKBIIHAFP-BWACUDIHSA-N -1 3 297.354 3.075 20 0 CGADHM Cc1ccc(CC[C@@H](C)NC(=O)c2cc(C)ccc2[O-])o1 ZINC000436592310 237141524 /nfs/dbraw/zinc/14/15/24/237141524.db2.gz TYLXDWNLTAHUJL-GFCCVEGCSA-N -1 3 287.359 3.353 20 0 CGADHM Cc1ccc(C(=O)N(C)CCc2ccccc2O)c([O-])c1C ZINC000436834665 237188639 /nfs/dbraw/zinc/18/86/39/237188639.db2.gz QKLLJAWOPHGHON-UHFFFAOYSA-N -1 3 299.370 3.029 20 0 CGADHM Cc1ccc(C(=O)Nc2cc(C3CCCC3)nn2C)c([O-])c1 ZINC000436706105 237163472 /nfs/dbraw/zinc/16/34/72/237163472.db2.gz RCASBNPHTYUNBH-UHFFFAOYSA-N -1 3 299.374 3.344 20 0 CGADHM C[C@@H]1CCC[C@@H]1Cc1nc(-c2ccc([O-])cc2)no1 ZINC000436868925 237197540 /nfs/dbraw/zinc/19/75/40/237197540.db2.gz JLEQBJFDKULVMR-ZYHUDNBSSA-N -1 3 258.321 3.421 20 0 CGADHM Cc1ccc(C(=O)N(C)[C@H]2CC[C@H](C)C2)c([O-])c1C ZINC000436874681 237200843 /nfs/dbraw/zinc/20/08/43/237200843.db2.gz BBZJILOPSCBYET-GWCFXTLKSA-N -1 3 261.365 3.270 20 0 CGADHM [O-]c1c(-c2nc(CC3CC3)no2)ccc2c1CCCC2 ZINC000436890581 237203809 /nfs/dbraw/zinc/20/38/09/237203809.db2.gz FRVLASQQEADWDA-UHFFFAOYSA-N -1 3 270.332 3.274 20 0 CGADHM COc1ccc(/C=C\c2nc(-c3ccc([O-])cc3)no2)nc1 ZINC000436888115 237203853 /nfs/dbraw/zinc/20/38/53/237203853.db2.gz QBPKQDPKCPOLBY-UITAMQMPSA-N -1 3 295.298 3.016 20 0 CGADHM Cc1ccc(C(=O)N[C@@H]2CC(C)(C)OC2(C)C)c([O-])c1C ZINC000436889202 237204087 /nfs/dbraw/zinc/20/40/87/237204087.db2.gz QIALPCCBHQXPCM-CYBMUJFWSA-N -1 3 291.391 3.085 20 0 CGADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CC[C@H](C2CC2)C1 ZINC000436914482 237207639 /nfs/dbraw/zinc/20/76/39/237207639.db2.gz JOBNCBDIDQLNCD-HNNXBMFYSA-N -1 3 285.387 3.143 20 0 CGADHM Cc1cc(C(=O)N[C@H](C)c2cccc(F)c2F)ccc1[O-] ZINC000436929624 237211166 /nfs/dbraw/zinc/21/11/66/237211166.db2.gz FQAWRUYEBJPHJR-SNVBAGLBSA-N -1 3 291.297 3.470 20 0 CGADHM Cc1ccc(NC(=O)c2ccc([O-])c(C)c2)c2n[nH]cc21 ZINC000436925783 237213227 /nfs/dbraw/zinc/21/32/27/237213227.db2.gz JMIWVAVOOHMOPO-UHFFFAOYSA-N -1 3 281.315 3.138 20 0 CGADHM O=C(Nc1cccc([O-])c1F)[C@@H]1Cc2ccccc2S1 ZINC000335971405 212767518 /nfs/dbraw/zinc/76/75/18/212767518.db2.gz SIBQBLVCPGYUQB-ZDUSSCGKSA-N -1 3 289.331 3.187 20 0 CGADHM CC(C)[C@H]1N(C(=O)NCc2ccc([O-])c(F)c2)CC1(C)C ZINC000297244687 200124958 /nfs/dbraw/zinc/12/49/58/200124958.db2.gz NFZXNFPLFIVNHB-CQSZACIVSA-N -1 3 294.370 3.107 20 0 CGADHM CCc1cc(C(=O)N[C@H]2CCCc3occc32)ccc1[O-] ZINC000341653876 216051573 /nfs/dbraw/zinc/05/15/73/216051573.db2.gz FMQXRLAZJVOKIM-AWEZNQCLSA-N -1 3 285.343 3.355 20 0 CGADHM Cc1ccc([O-])c(C(=O)N([C@H](C)C(C)C)C2CC2)c1 ZINC000298315895 200393019 /nfs/dbraw/zinc/39/30/19/200393019.db2.gz QMSODJFTCBEZTC-GFCCVEGCSA-N -1 3 261.365 3.350 20 0 CGADHM Cc1nc(C(=O)[N-]c2nnc(C(C)(C)C)s2)c(C)s1 ZINC000179199046 189177192 /nfs/dbraw/zinc/17/71/92/189177192.db2.gz ZGAIVOQNHYYDFB-UHFFFAOYSA-N -1 3 296.421 3.161 20 0 CGADHM C[C@H]1CCC[C@@H](C(=O)N=c2cc(-c3ccccc3)[n-][nH]2)C1 ZINC000439023655 238223846 /nfs/dbraw/zinc/22/38/46/238223846.db2.gz XBWGWJJAIHLPDU-GXTWGEPZSA-N -1 3 283.375 3.263 20 0 CGADHM CC(=O)c1c(C)[nH]c(C(=O)Nc2c(C)cccc2[O-])c1C ZINC000179552369 189201813 /nfs/dbraw/zinc/20/18/13/189201813.db2.gz UCKIRJYKZOEDNL-UHFFFAOYSA-N -1 3 286.331 3.100 20 0 CGADHM CCc1cc(C(=O)N2CCC[C@@H](C)CC2)ccc1[O-] ZINC000342210640 216263145 /nfs/dbraw/zinc/26/31/45/216263145.db2.gz FFIYSWZQOMTKSE-GFCCVEGCSA-N -1 3 261.365 3.217 20 0 CGADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H](C)CC)nc2)n1 ZINC000301490368 201027546 /nfs/dbraw/zinc/02/75/46/201027546.db2.gz AQTXZKUOIAKWEG-JTQLQIEISA-N -1 3 272.352 3.017 20 0 CGADHM CCC[C@H](C)[C@@H]1CCCN1C(=O)c1ccc(O)cc1[O-] ZINC000182830028 189336844 /nfs/dbraw/zinc/33/68/44/189336844.db2.gz YXKXIFHFPHSOLY-FZMZJTMJSA-N -1 3 277.364 3.139 20 0 CGADHM CC(C)Oc1cccc(CN(C)C(=O)c2cccc([O-])c2)c1 ZINC000182905051 189339129 /nfs/dbraw/zinc/33/91/29/189339129.db2.gz PJRGEZOXPHPOFM-UHFFFAOYSA-N -1 3 299.370 3.452 20 0 CGADHM C[C@H]1CCC[C@H](CNC(=O)Cc2ccc([O-])c(F)c2)C1 ZINC000448785481 239049396 /nfs/dbraw/zinc/04/93/96/239049396.db2.gz ZLPMMQMSEXZEOB-AAEUAGOBSA-N -1 3 279.355 3.016 20 0 CGADHM O=c1cc(CSc2cc(Cl)ccc2F)occ1[O-] ZINC000335665410 212384073 /nfs/dbraw/zinc/38/40/73/212384073.db2.gz YQSMEXLYURZDMX-UHFFFAOYSA-N -1 3 286.711 3.430 20 0 CGADHM Cc1ccc([O-])c(CN(Cc2ccccc2F)C2CC2)n1 ZINC000120561970 370782119 /nfs/dbraw/zinc/78/21/19/370782119.db2.gz DDWQNVUGCLEUSR-UHFFFAOYSA-N -1 3 286.350 3.399 20 0 CGADHM Cc1csc(S(=O)(=O)[N-]C2(C)CCCCC2)c1 ZINC000451097974 240216579 /nfs/dbraw/zinc/21/65/79/240216579.db2.gz GKYDAOUWBKIGTD-UHFFFAOYSA-N -1 3 273.423 3.058 20 0 CGADHM Cc1cc(C(=O)NC23CCC(CC2)CC3)ccc1[O-] ZINC000456279350 241390817 /nfs/dbraw/zinc/39/08/17/241390817.db2.gz MEKAVISRLNZZBA-UHFFFAOYSA-N -1 3 259.349 3.153 20 0 CGADHM CC[C@@H]1CCCC[C@H]1C(=O)NCc1ccc([O-])c(F)c1 ZINC000476391759 243011627 /nfs/dbraw/zinc/01/16/27/243011627.db2.gz SVEPMWNUWGCIDN-CHWSQXEVSA-N -1 3 279.355 3.364 20 0 CGADHM COc1cc(C(=O)N(C)C[C@H](C)c2ccccc2)ccc1[O-] ZINC000275978389 193178785 /nfs/dbraw/zinc/17/87/85/193178785.db2.gz KVUPMIWKVNGUJO-ZDUSSCGKSA-N -1 3 299.370 3.277 20 0 CGADHM O=C(c1ccccc1[O-])N1CCC[C@@H](CC(F)(F)F)C1 ZINC000335485270 212160238 /nfs/dbraw/zinc/16/02/38/212160238.db2.gz CFJHGUPHDWEWOF-JTQLQIEISA-N -1 3 287.281 3.197 20 0 CGADHM C[C@@H](c1cccc(Cl)c1)N1CCC[C@H](C(=O)[O-])C1 ZINC000003750379 368519859 /nfs/dbraw/zinc/51/98/59/368519859.db2.gz RAFDHTTTXDGVCA-JQWIXIFHSA-N -1 3 267.756 3.198 20 0 CGADHM CCc1cc(C(=O)Nc2cnc(C(C)(C)C)nc2)ccc1[O-] ZINC000485947292 243348785 /nfs/dbraw/zinc/34/87/85/243348785.db2.gz OLFMWYRCCKGYQP-UHFFFAOYSA-N -1 3 299.374 3.294 20 0 CGADHM COc1cc(C(=O)N2CCC[C@@H]2C(C)(C)C)ccc1[O-] ZINC000276005054 193186008 /nfs/dbraw/zinc/18/60/08/193186008.db2.gz PJHQEYLWOJHIEW-CQSZACIVSA-N -1 3 277.364 3.052 20 0 CGADHM O=C([O-])[C@@H](Cc1ccccc1)NCc1ccccc1Cl ZINC000019787841 368766335 /nfs/dbraw/zinc/76/63/35/368766335.db2.gz BJRMTZCCRLKTIO-OAHLLOKOSA-N -1 3 289.762 3.126 20 0 CGADHM Cc1ccc(C(=O)NCCCc2ccccc2)c([O-])c1 ZINC000028644699 368887984 /nfs/dbraw/zinc/88/79/84/368887984.db2.gz BNCOSAMASPTTMY-UHFFFAOYSA-N -1 3 269.344 3.063 20 0 CGADHM CC[C@H](C)N(CC(=O)[O-])Cc1ccccc1Cl ZINC000032108879 368925348 /nfs/dbraw/zinc/92/53/48/368925348.db2.gz IGHCKBVQSQPGPM-JTQLQIEISA-N -1 3 255.745 3.025 20 0 CGADHM [O-]c1ccc(-c2noc(Cc3cccc(F)c3)n2)cc1 ZINC000034956041 368981867 /nfs/dbraw/zinc/98/18/67/368981867.db2.gz AHVGHTIWFDPDPB-UHFFFAOYSA-N -1 3 270.263 3.172 20 0 CGADHM Cc1cc2cc[nH]c2cc1NC(=O)/C=C/c1cncc([O-])c1 ZINC000492681667 244006595 /nfs/dbraw/zinc/00/65/95/244006595.db2.gz RMBLLDOLJYSXIR-NSCUHMNNSA-N -1 3 293.326 3.229 20 0 CGADHM Cc1ccc([C@@H](C)[C@@H](O)C(=O)Nc2ccc(C)cc2[O-])cc1 ZINC000492886863 244044855 /nfs/dbraw/zinc/04/48/55/244044855.db2.gz MVJYUQXERWCGQW-CXAGYDPISA-N -1 3 299.370 3.112 20 0 CGADHM O=C(/C=C/c1nc2ccccc2s1)[N-]OCCC1CC1 ZINC000493174142 244111675 /nfs/dbraw/zinc/11/16/75/244111675.db2.gz XBFQBUGESVEIBB-BQYQJAHWSA-N -1 3 288.372 3.157 20 0 CGADHM C[C@@H]1C[C@@H]1c1ccc(/C=C\C(=O)[N-]OC2CCC2)o1 ZINC000493422214 244161013 /nfs/dbraw/zinc/16/10/13/244161013.db2.gz BYAWSBQSIMSQEG-ISIFUERMSA-N -1 3 261.321 3.017 20 0 CGADHM CC(=O)Nc1cccc(NC(=O)c2ccc(C)c(C)c2[O-])c1 ZINC000048370980 369345167 /nfs/dbraw/zinc/34/51/67/369345167.db2.gz QRYSZJLJTWJPKT-UHFFFAOYSA-N -1 3 298.342 3.220 20 0 CGADHM Cc1nc([N-]C(=O)c2cc(-c3ccco3)on2)sc1C ZINC000048792427 369370613 /nfs/dbraw/zinc/37/06/13/369370613.db2.gz ZCZJJOFQYYEIJY-UHFFFAOYSA-N -1 3 289.316 3.260 20 0 CGADHM Cc1ccc([C@@H](C)NC(=O)c2cccc([O-])c2)cc1 ZINC000049560350 369408950 /nfs/dbraw/zinc/40/89/50/369408950.db2.gz BCWDDNVBJXVAQM-GFCCVEGCSA-N -1 3 255.317 3.192 20 0 CGADHM COc1cc(C(=O)N2CCC[C@@H]3CCCC[C@@H]32)ccc1[O-] ZINC000276105706 193214727 /nfs/dbraw/zinc/21/47/27/193214727.db2.gz JOZPJAOGPSYGJZ-JSGCOSHPSA-N -1 3 289.375 3.196 20 0 CGADHM O=C([O-])CC[C@@H]1CCCCN1Cc1cccc(F)c1F ZINC000050925928 369444035 /nfs/dbraw/zinc/44/40/35/369444035.db2.gz VKQGJECACVQVIC-LBPRGKRZSA-N -1 3 283.318 3.184 20 0 CGADHM O=C(c1ccc(F)c(F)c1)N1CCCc2cccc([O-])c21 ZINC000063063810 369638320 /nfs/dbraw/zinc/63/83/20/369638320.db2.gz JDBNGRNUMHJHCB-UHFFFAOYSA-N -1 3 289.281 3.263 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CCC[C@H]2C(C)C)c1 ZINC000538743940 288587410 /nfs/dbraw/zinc/58/74/10/288587410.db2.gz XLINYBFYXLQXSE-AWEZNQCLSA-N -1 3 261.365 3.215 20 0 CGADHM Cc1cccc(C(=O)N(C)[C@@H]2CCc3ccccc3C2)c1[O-] ZINC000114279164 370495452 /nfs/dbraw/zinc/49/54/52/370495452.db2.gz ABQUNYGGAIHKQW-MRXNPFEDSA-N -1 3 295.382 3.330 20 0 CGADHM C[C@H](CC1CCCC1)C(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000114319848 370496733 /nfs/dbraw/zinc/49/67/33/370496733.db2.gz SXTCGOYNUQKLSD-LLVKDONJSA-N -1 3 299.378 3.022 20 0 CGADHM C[C@H](CC1CCCC1)C(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000114319848 370496738 /nfs/dbraw/zinc/49/67/38/370496738.db2.gz SXTCGOYNUQKLSD-LLVKDONJSA-N -1 3 299.378 3.022 20 0 CGADHM C[C@H](CC1CCCC1)C(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000114319848 370496740 /nfs/dbraw/zinc/49/67/40/370496740.db2.gz SXTCGOYNUQKLSD-LLVKDONJSA-N -1 3 299.378 3.022 20 0 CGADHM CCc1nnsc1C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000116980331 370576473 /nfs/dbraw/zinc/57/64/73/370576473.db2.gz OQCLXTSAOKQPFO-UHFFFAOYSA-N -1 3 297.767 3.020 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)c2ccoc2)c1[O-] ZINC000116978724 370576703 /nfs/dbraw/zinc/57/67/03/370576703.db2.gz ABOBBUMKQVSYHB-UHFFFAOYSA-N -1 3 251.669 3.199 20 0 CGADHM O=C(NCc1ccc([O-])c(F)c1)C1=CCCCCC1 ZINC000131838295 371133790 /nfs/dbraw/zinc/13/37/90/371133790.db2.gz WBIZVLVGFDVAMP-UHFFFAOYSA-N -1 3 263.312 3.038 20 0 CGADHM COc1ccccc1C[C@H](C)N(C)C(=O)c1ccccc1[O-] ZINC000131956676 371141522 /nfs/dbraw/zinc/14/15/22/371141522.db2.gz FAGLGWWCNWPHQP-ZDUSSCGKSA-N -1 3 299.370 3.104 20 0 CGADHM O=C(N[C@H]1CCO[C@@H](c2ccccc2)C1)c1ccccc1[O-] ZINC000132938444 371214134 /nfs/dbraw/zinc/21/41/34/371214134.db2.gz SVHSSQWSDDSBIX-WMLDXEAASA-N -1 3 297.354 3.042 20 0 CGADHM CCc1cc(C)c(C(=O)Nc2ccc(C)cc2[O-])o1 ZINC000133851474 371285104 /nfs/dbraw/zinc/28/51/04/371285104.db2.gz RGUKHRSFXXSTNX-UHFFFAOYSA-N -1 3 259.305 3.417 20 0 CGADHM CC(=O)c1ccc(Cl)c([N-]C(=O)c2cc(C)no2)c1 ZINC000150814305 371541275 /nfs/dbraw/zinc/54/12/75/371541275.db2.gz MNGPGRPYPNTJMQ-UHFFFAOYSA-N -1 3 278.695 3.091 20 0 CGADHM CC[C@@H](C)CN(C)C(=O)Cc1ccc([O-])cc1Cl ZINC000151122971 371572302 /nfs/dbraw/zinc/57/23/02/371572302.db2.gz CQOJNYKLQBOHGT-SNVBAGLBSA-N -1 3 269.772 3.093 20 0 CGADHM CCCOc1ccccc1NC([O-])=NOC/C=C/Cl ZINC000289631300 371777873 /nfs/dbraw/zinc/77/78/73/371777873.db2.gz XAIFAZBUSYAHOM-VMPITWQZSA-N -1 3 284.743 3.281 20 0 CGADHM CCCOc1ccccc1NC(=O)[N-]OC/C=C/Cl ZINC000289631300 371777878 /nfs/dbraw/zinc/77/78/78/371777878.db2.gz XAIFAZBUSYAHOM-VMPITWQZSA-N -1 3 284.743 3.281 20 0 CGADHM CC(C)OCc1ccc(NC([O-])=NOC/C=C/Cl)cc1 ZINC000289812015 371828509 /nfs/dbraw/zinc/82/85/09/371828509.db2.gz NBJZRHKZLNNRSH-FPYGCLRLSA-N -1 3 298.770 3.417 20 0 CGADHM CC(C)OCc1ccc(NC(=O)[N-]OC/C=C/Cl)cc1 ZINC000289812015 371828517 /nfs/dbraw/zinc/82/85/17/371828517.db2.gz NBJZRHKZLNNRSH-FPYGCLRLSA-N -1 3 298.770 3.417 20 0 CGADHM Cc1cc(OC(F)F)c(C(=O)[N-]c2nocc2C)s1 ZINC000154496022 371851764 /nfs/dbraw/zinc/85/17/64/371851764.db2.gz ULLHRAINQVEGRS-UHFFFAOYSA-N -1 3 288.275 3.207 20 0 CGADHM CC[C@@](C)(OC)c1noc(-c2ccc(C)c(C)c2[O-])n1 ZINC000290407941 371982215 /nfs/dbraw/zinc/98/22/15/371982215.db2.gz ILRBDTUFQXCXBA-OAHLLOKOSA-N -1 3 276.336 3.331 20 0 CGADHM CC[C@](C)(OC)c1noc(/C=C/c2cccc([O-])c2)n1 ZINC000290445069 371989618 /nfs/dbraw/zinc/98/96/18/371989618.db2.gz LHDDENTXJHZVFR-HVHJFMEUSA-N -1 3 274.320 3.217 20 0 CGADHM CC(C)N(CCC(=O)[O-])Cc1cc(-c2ccccc2)on1 ZINC000037596084 541865734 /nfs/dbraw/zinc/86/57/34/541865734.db2.gz JCCRRAHVMOKXJQ-UHFFFAOYSA-N -1 3 288.347 3.027 20 0 CGADHM Cc1cccc(C(=O)N2CC3(CCC3)[C@H]2C2CC2)c1[O-] ZINC000291266500 372150030 /nfs/dbraw/zinc/15/00/30/372150030.db2.gz ZFGXGJDNMYXOHH-OAHLLOKOSA-N -1 3 271.360 3.105 20 0 CGADHM CC[C@@H]([N-]C(=O)C(C)(F)F)c1cc(F)ccc1F ZINC000293077625 372294389 /nfs/dbraw/zinc/29/43/89/372294389.db2.gz CRTDGGLOEKDDSE-SNVBAGLBSA-N -1 3 263.234 3.187 20 0 CGADHM CC(C)Oc1ccc(F)cc1NC([O-])=NOCC1CC1 ZINC000292948427 372257656 /nfs/dbraw/zinc/25/76/56/372257656.db2.gz NWYGUGWFLGGFKV-UHFFFAOYSA-N -1 3 282.315 3.076 20 0 CGADHM CC(C)Oc1ccc(F)cc1NC(=O)[N-]OCC1CC1 ZINC000292948427 372257661 /nfs/dbraw/zinc/25/76/61/372257661.db2.gz NWYGUGWFLGGFKV-UHFFFAOYSA-N -1 3 282.315 3.076 20 0 CGADHM O=S(=O)([N-][C@H]1CCCc2sccc21)c1cccs1 ZINC000161919418 372360436 /nfs/dbraw/zinc/36/04/36/372360436.db2.gz HOANASHOHZYOHS-JTQLQIEISA-N -1 3 299.442 3.166 20 0 CGADHM Cc1noc(C)c1[C@H](C)CNCc1c(F)ccc([O-])c1F ZINC000293484641 372393243 /nfs/dbraw/zinc/39/32/43/372393243.db2.gz ADPMEKMGUSTDCF-MRVPVSSYSA-N -1 3 296.317 3.169 20 0 CGADHM [O-]c1ccc(F)c(CNCC2(CCO)CCCCC2)c1F ZINC000293492004 372396252 /nfs/dbraw/zinc/39/62/52/372396252.db2.gz APKKVHAEWXLPOC-UHFFFAOYSA-N -1 3 299.361 3.093 20 0 CGADHM [O-]c1cccc(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1Cl ZINC000293353910 372362747 /nfs/dbraw/zinc/36/27/47/372362747.db2.gz UBEFYXQZCCDWMC-GLQYFDAESA-N -1 3 293.794 3.093 20 0 CGADHM Cc1csc([C@H](C)CNCc2c(F)ccc([O-])c2F)n1 ZINC000293636514 372431859 /nfs/dbraw/zinc/43/18/59/372431859.db2.gz NNLNJNNVCHENIG-MRVPVSSYSA-N -1 3 298.358 3.329 20 0 CGADHM CCN(C(=O)NCc1ccc([O-])c(F)c1)[C@H](C)C(C)C ZINC000163776371 372491564 /nfs/dbraw/zinc/49/15/64/372491564.db2.gz RSPOKOUABQJNAO-LLVKDONJSA-N -1 3 282.359 3.107 20 0 CGADHM O=C([N-]c1ccsc1)c1noc(-c2ccccc2)n1 ZINC000433348116 372596607 /nfs/dbraw/zinc/59/66/07/372596607.db2.gz SDBFNPVTKIHICU-UHFFFAOYSA-N -1 3 271.301 3.050 20 0 CGADHM CC1(C)CCC[C@@H]1CNC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000294294329 372640690 /nfs/dbraw/zinc/64/06/90/372640690.db2.gz WMMPYMILJNJRFA-GFCCVEGCSA-N -1 3 298.386 3.497 20 0 CGADHM O=C(Nc1cccc(C(F)F)c1)c1ccc2n[n-]nc2c1 ZINC000170636172 372645345 /nfs/dbraw/zinc/64/53/45/372645345.db2.gz HOESZPBXQJWRTL-UHFFFAOYSA-N -1 3 288.257 3.148 20 0 CGADHM [O-]c1cccc(CN2CCCC3(CCOCC3)C2)c1Cl ZINC000295252608 372717454 /nfs/dbraw/zinc/71/74/54/372717454.db2.gz GBMOQKOCXCNYJA-UHFFFAOYSA-N -1 3 295.810 3.438 20 0 CGADHM Cc1ccc([O-])c(CN2CC[C@@H]2c2ccccc2)n1 ZINC000434981952 372720627 /nfs/dbraw/zinc/72/06/27/372720627.db2.gz IWBQMZRQHCHYIM-OAHLLOKOSA-N -1 3 254.333 3.043 20 0 CGADHM [O-]c1cccc(CN2CC[C@@]3(C2)CCCOC3)c1Cl ZINC000353388227 220059017 /nfs/dbraw/zinc/05/90/17/220059017.db2.gz MOCNGRHSILNBNO-OAHLLOKOSA-N -1 3 281.783 3.048 20 0 CGADHM COc1ccc([O-])c(C(=O)N2CCc3ccccc3[C@@H]2C)c1 ZINC000171507329 372776455 /nfs/dbraw/zinc/77/64/55/372776455.db2.gz COAQBMDXFVKQHQ-LBPRGKRZSA-N -1 3 297.354 3.160 20 0 CGADHM Cc1cccc(C(=O)N[C@@H](C)c2ccsc2)c1[O-] ZINC000061367973 541884258 /nfs/dbraw/zinc/88/42/58/541884258.db2.gz SZPPXIJXMRPLEM-JTQLQIEISA-N -1 3 261.346 3.253 20 0 CGADHM Cc1ccc(-c2nnc([N-]Cc3ncc(C)s3)o2)s1 ZINC000295977023 372981074 /nfs/dbraw/zinc/98/10/74/372981074.db2.gz MZRUETIUZCYTEP-UHFFFAOYSA-N -1 3 292.389 3.484 20 0 CGADHM CCCCOc1ccccc1NC([O-])=NOC(C)C ZINC000296358590 373102593 /nfs/dbraw/zinc/10/25/93/373102593.db2.gz JCKYLVXLKYSOGJ-UHFFFAOYSA-N -1 3 266.341 3.327 20 0 CGADHM CCCCOc1ccccc1NC(=O)[N-]OC(C)C ZINC000296358590 373102598 /nfs/dbraw/zinc/10/25/98/373102598.db2.gz JCKYLVXLKYSOGJ-UHFFFAOYSA-N -1 3 266.341 3.327 20 0 CGADHM CC(C)ON=C([O-])Nc1ccc2cnn(C(C)C)c2c1 ZINC000296605570 373193279 /nfs/dbraw/zinc/19/32/79/373193279.db2.gz YDZRLAABTMEHTM-UHFFFAOYSA-N -1 3 276.340 3.079 20 0 CGADHM CC(C)O[N-]C(=O)Nc1ccc2cnn(C(C)C)c2c1 ZINC000296605570 373193285 /nfs/dbraw/zinc/19/32/85/373193285.db2.gz YDZRLAABTMEHTM-UHFFFAOYSA-N -1 3 276.340 3.079 20 0 CGADHM CO[C@@H]1CCOc2c(NC(=O)c3cccc([O-])c3)cccc21 ZINC000344884086 217344486 /nfs/dbraw/zinc/34/44/86/217344486.db2.gz BAPYDVQFKFKCKQ-OAHLLOKOSA-N -1 3 299.326 3.115 20 0 CGADHM CC(=O)c1ccc(C(=O)[N-]c2nc3ccccc3s2)o1 ZINC000445253962 373303239 /nfs/dbraw/zinc/30/32/39/373303239.db2.gz YACHJTKFHDQGLY-UHFFFAOYSA-N -1 3 286.312 3.344 20 0 CGADHM O=C(NCc1ccc([O-])c(F)c1)N1CCC[C@@H]2CCC[C@H]21 ZINC000175191336 373426607 /nfs/dbraw/zinc/42/66/07/373426607.db2.gz JIDYLAJNZXQTTG-GXTWGEPZSA-N -1 3 292.354 3.005 20 0 CGADHM C[C@H]1CCCC[C@@H]1NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000299449642 373546487 /nfs/dbraw/zinc/54/64/87/373546487.db2.gz OUBBFPZMNKKBKB-AAEUAGOBSA-N -1 3 284.359 3.249 20 0 CGADHM CCN(C[C@H]1CCCO1)C(=O)c1ccc(C(C)C)cc1[O-] ZINC000299459944 373548066 /nfs/dbraw/zinc/54/80/66/373548066.db2.gz VFFNYNGSVVXGEW-CQSZACIVSA-N -1 3 291.391 3.157 20 0 CGADHM C[C@@H](NC(=O)Cc1ccc([O-])cc1Cl)C1CCCC1 ZINC000178373651 373772794 /nfs/dbraw/zinc/77/27/94/373772794.db2.gz MGSXNMSCKCDUTQ-SNVBAGLBSA-N -1 3 281.783 3.283 20 0 CGADHM Cc1ncc(CN[C@H](CCC(C)C)c2ccoc2)c(=O)[n-]1 ZINC000353668497 220239078 /nfs/dbraw/zinc/23/90/78/220239078.db2.gz GPDAABJHZIJVEL-OAHLLOKOSA-N -1 3 289.379 3.351 20 0 CGADHM CC(C)C[C@@H]1OCCC[C@H]1[N-]c1nc(C(C)C)no1 ZINC000302514920 373885751 /nfs/dbraw/zinc/88/57/51/373885751.db2.gz XXIVLZOSNQZWQU-NEPJUHHUSA-N -1 3 267.373 3.199 20 0 CGADHM Cc1cccc(C(=O)NCCOc2c(C)cccc2C)c1[O-] ZINC000302943377 374007975 /nfs/dbraw/zinc/00/79/75/374007975.db2.gz LUIWCEYFAIXVOW-UHFFFAOYSA-N -1 3 299.370 3.126 20 0 CGADHM O=C(Nc1ccc([O-])cc1F)[C@H]1C[C@@]12CCc1ccccc12 ZINC000180859187 374052811 /nfs/dbraw/zinc/05/28/11/374052811.db2.gz MPMYAKWWOWLNFE-RDTXWAMCSA-N -1 3 297.329 3.374 20 0 CGADHM COc1c(C)ccc(NC(=O)c2cccc([O-])c2)c1C ZINC000181948808 374196161 /nfs/dbraw/zinc/19/61/61/374196161.db2.gz AOXFBVQGALNLOV-UHFFFAOYSA-N -1 3 271.316 3.270 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N2CC[C@@H](CC(C)(C)C)C2)n1 ZINC000452078438 374228038 /nfs/dbraw/zinc/22/80/38/374228038.db2.gz LWMBZQFUSWJWLT-STQMWFEESA-N -1 3 277.412 3.310 20 0 CGADHM Cc1cccc([N-]S(=O)(=O)c2ccccc2C)c1F ZINC000311667410 374251811 /nfs/dbraw/zinc/25/18/11/374251811.db2.gz YWNHJHOGMULZGB-UHFFFAOYSA-N -1 3 279.336 3.243 20 0 CGADHM CO[C@@H](C)c1cccc(NC(=O)c2cccc([O-])c2)c1 ZINC000182304997 374254982 /nfs/dbraw/zinc/25/49/82/374254982.db2.gz XGCZMFNVBUCKNQ-NSHDSACASA-N -1 3 271.316 3.352 20 0 CGADHM COc1ccc2cc(NC(=O)c3cccc([O-])c3)ccc2n1 ZINC000182314315 374256617 /nfs/dbraw/zinc/25/66/17/374256617.db2.gz OVWCVLMIIOTCHW-UHFFFAOYSA-N -1 3 294.310 3.201 20 0 CGADHM C[C@H](NC(=O)c1cccc([O-])c1)C(C)(C)c1ccccc1 ZINC000182322462 374258720 /nfs/dbraw/zinc/25/87/20/374258720.db2.gz UWHHNPCUVOKJQA-ZDUSSCGKSA-N -1 3 283.371 3.488 20 0 CGADHM CC[C@@H]1CC[C@H](C)N(C(=O)c2cc(OC)ccc2[O-])C1 ZINC000312293484 374275866 /nfs/dbraw/zinc/27/58/66/374275866.db2.gz VGHRJVPOAWZAKO-NWDGAFQWSA-N -1 3 277.364 3.052 20 0 CGADHM CCOc1cc(C)ccc1CNC(=O)c1cccc([O-])c1 ZINC000182593290 374296274 /nfs/dbraw/zinc/29/62/74/374296274.db2.gz UFLITRPMCUXTGH-UHFFFAOYSA-N -1 3 285.343 3.029 20 0 CGADHM CC[C@H](NC(=O)c1cc([O-])ccc1C(F)(F)F)C(F)F ZINC000452267393 374305225 /nfs/dbraw/zinc/30/52/25/374305225.db2.gz VRIQGVKYVCJHTA-VIFPVBQESA-N -1 3 297.223 3.185 20 0 CGADHM O=C(Nc1ccc(F)cc1OC(F)F)c1cccc([O-])c1 ZINC000182516015 374285773 /nfs/dbraw/zinc/28/57/73/374285773.db2.gz BKPOIMIGOZYNSV-UHFFFAOYSA-N -1 3 297.232 3.385 20 0 CGADHM CCCS(=O)(=O)[N-]c1cnccc1-c1cccc(F)c1 ZINC000182725576 374318736 /nfs/dbraw/zinc/31/87/36/374318736.db2.gz GGCOBRJDWMHYDM-UHFFFAOYSA-N -1 3 294.351 3.039 20 0 CGADHM Cc1ccc(F)cc1CN1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000317766377 374342195 /nfs/dbraw/zinc/34/21/95/374342195.db2.gz ATMFMXIJVZHFMH-KRWDZBQOSA-N -1 3 299.345 3.146 20 0 CGADHM CN(Cc1cc(F)c(F)c(F)c1)C(=O)c1cccc([O-])c1 ZINC000182999790 374354405 /nfs/dbraw/zinc/35/44/05/374354405.db2.gz NPCCJNNDLXRCSK-UHFFFAOYSA-N -1 3 295.260 3.082 20 0 CGADHM COc1cccc(C(=O)Nc2c(C)cccc2[O-])c1F ZINC000183015242 374355904 /nfs/dbraw/zinc/35/59/04/374355904.db2.gz OKRDUJBKELIJNC-UHFFFAOYSA-N -1 3 275.279 3.101 20 0 CGADHM C[C@H](C1CCC1)N(C)C(=O)c1cc([O-])ccc1Cl ZINC000325336034 374358931 /nfs/dbraw/zinc/35/89/31/374358931.db2.gz BYCNMSVIIFNICM-SECBINFHSA-N -1 3 267.756 3.306 20 0 CGADHM Cc1cccc([O-])c1NC(=O)CSCCC(C)C ZINC000183081060 374369908 /nfs/dbraw/zinc/36/99/08/374369908.db2.gz KEIDTSZRFGKNNU-UHFFFAOYSA-N -1 3 267.394 3.418 20 0 CGADHM O=C(CCc1ccccc1O)N1CCCc2cccc([O-])c21 ZINC000182938443 374346125 /nfs/dbraw/zinc/34/61/25/374346125.db2.gz JXJCRTOEDUJPOF-UHFFFAOYSA-N -1 3 297.354 3.010 20 0 CGADHM Cc1csc(-c2nc3ccc(C(C)C)cc3c(=O)[n-]2)n1 ZINC000183647540 374438069 /nfs/dbraw/zinc/43/80/69/374438069.db2.gz GQXRXZZHAMVAFQ-UHFFFAOYSA-N -1 3 285.372 3.478 20 0 CGADHM C[C@@H]1C[C@@H](C(=O)Nc2ccc(C(C)(C)C)cc2[O-])CO1 ZINC000330416286 374460897 /nfs/dbraw/zinc/46/08/97/374460897.db2.gz VDMXXQHGOKFMPI-GHMZBOCLSA-N -1 3 277.364 3.053 20 0 CGADHM C[C@H](NCc1cc([O-])cc(F)c1)c1cccc(O)c1 ZINC000184139271 374496222 /nfs/dbraw/zinc/49/62/22/374496222.db2.gz RCQZWUGRCRUKPC-JTQLQIEISA-N -1 3 261.296 3.088 20 0 CGADHM COc1ccc(NC(=O)[C@H](C)C(C)(C)C)c([O-])c1 ZINC000331271204 374518642 /nfs/dbraw/zinc/51/86/42/374518642.db2.gz BESWGUHDCHAOJY-VIFPVBQESA-N -1 3 251.326 3.022 20 0 CGADHM [O-]c1cc(F)cc(CNc2cccc(-n3ccnc3)c2)c1 ZINC000184136326 374497249 /nfs/dbraw/zinc/49/72/49/374497249.db2.gz PICKLMXBDJEVBX-UHFFFAOYSA-N -1 3 283.306 3.329 20 0 CGADHM CSc1cccc(C)c1[N-]C(=O)c1cscn1 ZINC000184627415 374543663 /nfs/dbraw/zinc/54/36/63/374543663.db2.gz SKGDBVCCXVHIKQ-UHFFFAOYSA-N -1 3 264.375 3.426 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CCC[C@@H](c3ccncc3)C2)c1 ZINC000334199955 206181676 /nfs/dbraw/zinc/18/16/76/206181676.db2.gz PYCCEUJQNAKVNX-OAHLLOKOSA-N -1 3 296.370 3.115 20 0 CGADHM O=C(Nc1cccc2c1CCO2)c1cc([O-])ccc1Cl ZINC000334231662 206227724 /nfs/dbraw/zinc/22/77/24/206227724.db2.gz LSQZCFBMYPVABQ-UHFFFAOYSA-N -1 3 289.718 3.233 20 0 CGADHM O=C(Nc1ccccc1[O-])[C@H]1CCc2ccccc21 ZINC000334354459 374680389 /nfs/dbraw/zinc/68/03/89/374680389.db2.gz ZLGNMKGLZOHDOU-ZDUSSCGKSA-N -1 3 253.301 3.061 20 0 CGADHM Cc1ccc(C(=O)N2CCC=C(c3ccncc3)C2)c([O-])c1 ZINC000334435095 374749553 /nfs/dbraw/zinc/74/95/53/374749553.db2.gz OJOMJIBXAHFMEQ-UHFFFAOYSA-N -1 3 294.354 3.025 20 0 CGADHM CCc1ccc([O-])c(C(=O)N(C)C2CC(C)(C)C2)c1 ZINC000458180796 374713396 /nfs/dbraw/zinc/71/33/96/374713396.db2.gz HIWZDXFCQKMLHH-UHFFFAOYSA-N -1 3 261.365 3.215 20 0 CGADHM [O-]c1cc(F)cc(CN2CCC(OC3CCCC3)CC2)c1 ZINC000186204493 374814126 /nfs/dbraw/zinc/81/41/26/374814126.db2.gz HSGKXAFBZFNIGS-UHFFFAOYSA-N -1 3 293.382 3.455 20 0 CGADHM CSc1ccc(NC(=O)c2cc([O-])ccc2Cl)nc1 ZINC000334523646 374819181 /nfs/dbraw/zinc/81/91/81/374819181.db2.gz BLPSZYSZLSHLPR-UHFFFAOYSA-N -1 3 294.763 3.415 20 0 CGADHM Cc1nc(C)c(C(=O)N2CC[C@@H](C)c3cccc([O-])c32)o1 ZINC000186284037 374826944 /nfs/dbraw/zinc/82/69/44/374826944.db2.gz IRBPBJITLWHKMG-SECBINFHSA-N -1 3 286.331 3.151 20 0 CGADHM Cc1ccc(CC(=O)N2CC[C@@H](C)c3cccc([O-])c32)cn1 ZINC000186291805 374827864 /nfs/dbraw/zinc/82/78/64/374827864.db2.gz XTWCYRSOUKGWEZ-GFCCVEGCSA-N -1 3 296.370 3.179 20 0 CGADHM CCCCC[C@H]1CCCN1C(=O)c1csc(=O)[n-]1 ZINC000472333871 375019952 /nfs/dbraw/zinc/01/99/52/375019952.db2.gz GADBMNZGFCZNRO-JTQLQIEISA-N -1 3 268.382 3.034 20 0 CGADHM Cc1cccc([O-])c1NC(=O)[C@H]1CCC[C@@H](F)C1 ZINC000335083255 375116150 /nfs/dbraw/zinc/11/61/50/375116150.db2.gz IADRSZWGXJIGFW-WDEREUQCSA-N -1 3 251.301 3.167 20 0 CGADHM CCc1ccc(C(=O)N[C@@H](C)c2ncc(C)s2)c([O-])c1 ZINC000188263511 375186784 /nfs/dbraw/zinc/18/67/84/375186784.db2.gz CDMYSQJPIQNZBC-JTQLQIEISA-N -1 3 290.388 3.211 20 0 CGADHM CCc1cc(C(=O)N2C[C@H](C)C[C@@H](C)[C@@H]2C)ccc1[O-] ZINC000487306477 375224332 /nfs/dbraw/zinc/22/43/32/375224332.db2.gz FFOBYJYUEIWKIT-UPJWGTAASA-N -1 3 275.392 3.461 20 0 CGADHM CCc1ccc(C(=O)N(C)Cc2ccc(OC)cc2)c([O-])c1 ZINC000188532483 375227059 /nfs/dbraw/zinc/22/70/59/375227059.db2.gz KTVKGUYIQOWXFH-UHFFFAOYSA-N -1 3 299.370 3.235 20 0 CGADHM CCc1cc(C(=O)NC[C@@H]2CC[C@H](C)C2)ccc1[O-] ZINC000487598446 375262267 /nfs/dbraw/zinc/26/22/67/375262267.db2.gz SLJYYKZZHLMDEB-NWDGAFQWSA-N -1 3 261.365 3.121 20 0 CGADHM CCc1ccc(C(=O)N2CCC[C@H]2c2cccnc2)c([O-])c1 ZINC000335784643 375428118 /nfs/dbraw/zinc/42/81/18/375428118.db2.gz DNCABYVAMJWWKF-INIZCTEOSA-N -1 3 296.370 3.327 20 0 CGADHM CC(C)c1ccccc1S(=O)(=O)[N-]c1ccncc1F ZINC000190997377 375560323 /nfs/dbraw/zinc/56/03/23/375560323.db2.gz QUGDGTLFPBRWTA-UHFFFAOYSA-N -1 3 294.351 3.145 20 0 CGADHM Cc1cccc([O-])c1NC(=O)[C@H]1CC(=O)c2ccccc21 ZINC000336075211 375665589 /nfs/dbraw/zinc/66/55/89/375665589.db2.gz DLQJLMFERYBHHU-ZDUSSCGKSA-N -1 3 281.311 3.009 20 0 CGADHM CC(=O)c1cccc(NC(=O)c2cc(F)cc(F)c2)c1[O-] ZINC000336143634 375721415 /nfs/dbraw/zinc/72/14/15/375721415.db2.gz IQUPVVKLOVPKDO-UHFFFAOYSA-N -1 3 291.253 3.125 20 0 CGADHM C[C@@H]1COCC[C@H]1C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000336161951 375738673 /nfs/dbraw/zinc/73/86/73/375738673.db2.gz UOJBFXFUPOAGQY-DGCLKSJQSA-N -1 3 291.391 3.301 20 0 CGADHM CC(C)[C@H]1CCCN(C(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC000336177691 375751420 /nfs/dbraw/zinc/75/14/20/375751420.db2.gz URBHBMKMWVMPHH-ZDUSSCGKSA-N -1 3 298.386 3.036 20 0 CGADHM CCN(Cc1ccccc1C)C(=O)c1ccc(O)cc1[O-] ZINC000192456374 375752216 /nfs/dbraw/zinc/75/22/16/375752216.db2.gz OQVQVKKYQTVQRS-UHFFFAOYSA-N -1 3 285.343 3.069 20 0 CGADHM Cc1cccc([O-])c1NC(=O)[C@@H]1CCC(F)(F)C1 ZINC000336150192 375728687 /nfs/dbraw/zinc/72/86/87/375728687.db2.gz IRTDPMCLYYPSIV-SECBINFHSA-N -1 3 255.264 3.075 20 0 CGADHM Cc1cc(C(=O)Nc2ccc(C)cc2[O-])nn1C(C)C ZINC000336231579 375761509 /nfs/dbraw/zinc/76/15/09/375761509.db2.gz YWENXMYLFGAHPN-UHFFFAOYSA-N -1 3 273.336 3.039 20 0 CGADHM CCC[C@@H](CC)[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000519486356 375840286 /nfs/dbraw/zinc/84/02/86/375840286.db2.gz XMKZFZDGDNCAJE-SECBINFHSA-N -1 3 293.791 3.336 20 0 CGADHM C[C@H](c1ccc(F)cc1)N(C)C(=O)c1ccccc1[O-] ZINC000193240230 375846573 /nfs/dbraw/zinc/84/65/73/375846573.db2.gz IRKIBUVWEQKPIH-LLVKDONJSA-N -1 3 273.307 3.365 20 0 CGADHM CCc1cc(C(=O)NC2CCC(F)(F)CC2)ccc1[O-] ZINC000336594222 375859607 /nfs/dbraw/zinc/85/96/07/375859607.db2.gz XPQQLXBOTICYNR-UHFFFAOYSA-N -1 3 283.318 3.262 20 0 CGADHM CC(C)(CNC(=O)c1cccc2nn[n-]c21)C1=CCCCC1 ZINC000525873069 375887883 /nfs/dbraw/zinc/88/78/83/375887883.db2.gz LBRYXSPDXIXMQX-UHFFFAOYSA-N -1 3 298.390 3.214 20 0 CGADHM CC(C)(CNC(=O)c1cccc2[n-]nnc21)C1=CCCCC1 ZINC000525873069 375887886 /nfs/dbraw/zinc/88/78/86/375887886.db2.gz LBRYXSPDXIXMQX-UHFFFAOYSA-N -1 3 298.390 3.214 20 0 CGADHM CC(C)(CNC(=O)c1cccc2n[n-]nc21)C1=CCCCC1 ZINC000525873069 375887892 /nfs/dbraw/zinc/88/78/92/375887892.db2.gz LBRYXSPDXIXMQX-UHFFFAOYSA-N -1 3 298.390 3.214 20 0 CGADHM Cc1cccc(F)c1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000336808038 375960329 /nfs/dbraw/zinc/96/03/29/375960329.db2.gz ODLZOMKWWOYGHA-UHFFFAOYSA-N -1 3 283.299 3.074 20 0 CGADHM O=C(c1ccc2c(c1[O-])CCCC2)N1CC2(C1)CCCC2 ZINC000436824711 296238533 /nfs/dbraw/zinc/23/85/33/296238533.db2.gz ARXVNWWSFFPXJW-UHFFFAOYSA-N -1 3 285.387 3.287 20 0 CGADHM CCCc1occc1C(=O)Nc1cc(F)ccc1[O-] ZINC000337034731 376064277 /nfs/dbraw/zinc/06/42/77/376064277.db2.gz FPNCDBWXRNGLAP-UHFFFAOYSA-N -1 3 263.268 3.329 20 0 CGADHM CCC[C@@H]1CCCCN1Cc1ccc(C(=O)[O-])o1 ZINC000213386482 376140776 /nfs/dbraw/zinc/14/07/76/376140776.db2.gz QNDFJHNRMCRLPE-LLVKDONJSA-N -1 3 251.326 3.132 20 0 CGADHM C[C@H](c1ccc(F)c(Cl)c1)N1CC[C@](C)(C(=O)[O-])C1 ZINC000227825738 376411389 /nfs/dbraw/zinc/41/13/89/376411389.db2.gz XJKZQBUYCQOGGD-OTYXRUKQSA-N -1 3 285.746 3.337 20 0 CGADHM CCC(CC)(OC)c1noc(-c2cccc(C)c2[O-])n1 ZINC000227833628 376415003 /nfs/dbraw/zinc/41/50/03/376415003.db2.gz RHXXCMMRQSKXHY-UHFFFAOYSA-N -1 3 276.336 3.412 20 0 CGADHM CCc1nc(C)c(C(=O)Nc2cccc([O-])c2F)s1 ZINC000334288919 206314735 /nfs/dbraw/zinc/31/47/35/206314735.db2.gz JQSOPVGBQYRWHM-UHFFFAOYSA-N -1 3 280.324 3.111 20 0 CGADHM O=C(N[C@@H](c1ccccc1)C(F)(F)F)c1cccc([O-])c1 ZINC000541887046 376490406 /nfs/dbraw/zinc/49/04/06/376490406.db2.gz TYZPUHQNZXCDRW-ZDUSSCGKSA-N -1 3 295.260 3.426 20 0 CGADHM C[C@@H]1c2c(F)cccc2CCN1C(=O)c1cccc([O-])c1 ZINC000541889453 376491222 /nfs/dbraw/zinc/49/12/22/376491222.db2.gz MJQWKSITSAGPKO-LLVKDONJSA-N -1 3 285.318 3.291 20 0 CGADHM CCc1noc(C)c1C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000334282223 206305929 /nfs/dbraw/zinc/30/59/29/206305929.db2.gz TZCUYIIAJHKNQW-UHFFFAOYSA-N -1 3 294.738 3.465 20 0 CGADHM Cc1cccc2c1CC[C@@H]2NC(=O)c1ccc([O-])c(C)c1 ZINC000542784201 376578175 /nfs/dbraw/zinc/57/81/75/376578175.db2.gz MMZRHPRVPLMHPW-INIZCTEOSA-N -1 3 281.355 3.426 20 0 CGADHM CC(C)[C@@H]1CCCN1C(=O)c1cc([O-])ccc1Cl ZINC000232703004 376585440 /nfs/dbraw/zinc/58/54/40/376585440.db2.gz FBERTOZNEXQNAG-ZDUSSCGKSA-N -1 3 267.756 3.306 20 0 CGADHM CCc1cccc2c1N(C(=O)c1ccc([O-])c(C)c1)CC2 ZINC000543715499 376668241 /nfs/dbraw/zinc/66/82/41/376668241.db2.gz QHIXXPZYLVVYBA-UHFFFAOYSA-N -1 3 281.355 3.466 20 0 CGADHM Cc1ccnc(NC(=O)c2cc([O-])ccc2Cl)c1 ZINC000235928669 376655520 /nfs/dbraw/zinc/65/55/20/376655520.db2.gz GVSFVTOODJWWDL-UHFFFAOYSA-N -1 3 262.696 3.001 20 0 CGADHM O=C(Nc1ccc([O-])cc1F)c1ccoc1Cl ZINC000236571974 376666389 /nfs/dbraw/zinc/66/63/89/376666389.db2.gz LDBDUPXNXWRTHV-UHFFFAOYSA-N -1 3 255.632 3.030 20 0 CGADHM C[C@H](C[C@@H]1CCCO1)NCc1cccc([O-])c1Cl ZINC000339215134 376736406 /nfs/dbraw/zinc/73/64/06/376736406.db2.gz QJUNEYVSCUCJNH-PWSUYJOCSA-N -1 3 269.772 3.093 20 0 CGADHM CCO[C@H](CC)c1noc(-c2cc(C)ccc2[O-])n1 ZINC000157375508 542134495 /nfs/dbraw/zinc/13/44/95/542134495.db2.gz HTIIGASHQXPKTR-GFCCVEGCSA-N -1 3 262.309 3.238 20 0 CGADHM Cc1ccc(NC(=O)Cn2ccc3ccccc32)c([O-])c1 ZINC000340033551 376897128 /nfs/dbraw/zinc/89/71/28/376897128.db2.gz RQQLTCLBXSHQCA-UHFFFAOYSA-N -1 3 280.327 3.294 20 0 CGADHM CCc1onc(C)c1[N-]C(=O)c1ccc(C(C)=O)s1 ZINC000340424185 377049679 /nfs/dbraw/zinc/04/96/79/377049679.db2.gz GQFFDHGKLLUAHY-UHFFFAOYSA-N -1 3 278.333 3.062 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])c1ccc(-c2cnco2)cc1 ZINC000340313394 376996754 /nfs/dbraw/zinc/99/67/54/376996754.db2.gz CKPAZJAFEOIGMQ-UHFFFAOYSA-N -1 3 298.273 3.439 20 0 CGADHM C[C@@H](Oc1ccccc1F)C(=O)Nc1cc(F)ccc1[O-] ZINC000340313352 376998108 /nfs/dbraw/zinc/99/81/08/376998108.db2.gz WNTOWMYHBFHVKH-SECBINFHSA-N -1 3 293.269 3.076 20 0 CGADHM CC[C@@H](C(=O)Nc1cc(F)ccc1[O-])c1c(C)noc1C ZINC000340327403 377001564 /nfs/dbraw/zinc/00/15/64/377001564.db2.gz KUKBLFDERZRZOY-LLVKDONJSA-N -1 3 292.310 3.268 20 0 CGADHM Cc1cc(C)cc(N(C)C(=O)c2cc(C(F)(F)F)n[n-]2)c1 ZINC000559268020 377077257 /nfs/dbraw/zinc/07/72/57/377077257.db2.gz USRKRAHNTGPNGF-UHFFFAOYSA-N -1 3 297.280 3.322 20 0 CGADHM Cc1cc(C)cc(N(C)C(=O)c2cc(C(F)(F)F)[n-]n2)c1 ZINC000559268020 377077261 /nfs/dbraw/zinc/07/72/61/377077261.db2.gz USRKRAHNTGPNGF-UHFFFAOYSA-N -1 3 297.280 3.322 20 0 CGADHM Cc1cccc(C(=O)N2[C@H](C)C[C@@H]3CCCC[C@H]32)c1[O-] ZINC000246766204 377084713 /nfs/dbraw/zinc/08/47/13/377084713.db2.gz LNGCJTQZCXGMTC-VNHYZAJKSA-N -1 3 273.376 3.494 20 0 CGADHM [O-]c1ccc(F)c(CN2CCC[C@H]2c2ccccn2)c1F ZINC000560445342 377149200 /nfs/dbraw/zinc/14/92/00/377149200.db2.gz BPTKVOIUWWCVLL-AWEZNQCLSA-N -1 3 290.313 3.403 20 0 CGADHM COc1cc(-c2ccccc2)ccc1CNC1(C(=O)[O-])CC1 ZINC000340670680 377202878 /nfs/dbraw/zinc/20/28/78/377202878.db2.gz AIUGKHFTJXQLCB-UHFFFAOYSA-N -1 3 297.354 3.069 20 0 CGADHM CCC[C@](C)(NCc1ccc(OC)cc1Cl)C(=O)[O-] ZINC000340670900 377202922 /nfs/dbraw/zinc/20/29/22/377202922.db2.gz FWSDBKSKYHFFNX-AWEZNQCLSA-N -1 3 285.771 3.082 20 0 CGADHM C[C@@H](SCc1cc(=O)[n-]c(C2CC2)n1)c1cccnc1 ZINC000562824232 377365025 /nfs/dbraw/zinc/36/50/25/377365025.db2.gz RDZSJISNEMSYLR-SNVBAGLBSA-N -1 3 287.388 3.449 20 0 CGADHM [O-]c1cc(F)cc(CN2CCS[C@@H]3CCCC[C@H]32)c1 ZINC000248685205 377381897 /nfs/dbraw/zinc/38/18/97/377381897.db2.gz GYAMDSHIRZKABB-HUUCEWRRSA-N -1 3 281.396 3.391 20 0 CGADHM C[C@H](c1ccc(C(=O)[O-])o1)N1CC(C)(C)C[C@H]1C ZINC000563280217 377432719 /nfs/dbraw/zinc/43/27/19/377432719.db2.gz MDTPKXQTSBSONO-NXEZZACHSA-N -1 3 251.326 3.159 20 0 CGADHM COc1ccc([C@@H](C)NC(=O)c2ccc(C)cc2[O-])cc1 ZINC000083881563 249007944 /nfs/dbraw/zinc/00/79/44/249007944.db2.gz NHXPORFYNXPMCJ-GFCCVEGCSA-N -1 3 285.343 3.200 20 0 CGADHM CO[C@@H](C)c1cccc(NC(=O)c2c([O-])cccc2O)c1 ZINC000092120795 249032887 /nfs/dbraw/zinc/03/28/87/249032887.db2.gz YCJLQXXSGHTOFH-JTQLQIEISA-N -1 3 287.315 3.058 20 0 CGADHM CC(C)c1cc(C(=O)[N-]c2cc(Cl)ccn2)on1 ZINC000265131351 190160136 /nfs/dbraw/zinc/16/01/36/190160136.db2.gz ROAVSMWREFXTJS-UHFFFAOYSA-N -1 3 265.700 3.099 20 0 CGADHM CC[C@@H]1CC[C@H](C)N(C(=O)c2ccc(OC)cc2[O-])C1 ZINC000312360277 249080813 /nfs/dbraw/zinc/08/08/13/249080813.db2.gz JNEWCEDCEWVPDD-NWDGAFQWSA-N -1 3 277.364 3.052 20 0 CGADHM COc1ccc(C(=O)NCc2ccc(C(C)C)cc2)c([O-])c1 ZINC000315484792 249099512 /nfs/dbraw/zinc/09/95/12/249099512.db2.gz WCBVHUVFJJNFSW-UHFFFAOYSA-N -1 3 299.370 3.454 20 0 CGADHM O=S(=O)([N-][C@H]1CCCCC12CCCC2)c1ccco1 ZINC000515335408 249208165 /nfs/dbraw/zinc/20/81/65/249208165.db2.gz VXISPEHGBPJVKP-LBPRGKRZSA-N -1 3 283.393 3.061 20 0 CGADHM CCc1oc(C(=O)[O-])cc1CN1CCC[C@H](C)[C@H]1C ZINC000516479361 249235196 /nfs/dbraw/zinc/23/51/96/249235196.db2.gz JIBRMOYPJZKBLK-WDEREUQCSA-N -1 3 265.353 3.161 20 0 CGADHM C[C@@H]1CCCC[C@@H]1CC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000518837678 249287731 /nfs/dbraw/zinc/28/77/31/249287731.db2.gz KAPVYKQSJJNWEY-VXGBXAGGSA-N -1 3 299.378 3.022 20 0 CGADHM C[C@@H]1CCCC[C@@H]1CC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000518837678 249287732 /nfs/dbraw/zinc/28/77/32/249287732.db2.gz KAPVYKQSJJNWEY-VXGBXAGGSA-N -1 3 299.378 3.022 20 0 CGADHM CCc1[n-][nH]c(=NC(=O)[C@H]2CCC[C@H]2c2ccccc2)c1C ZINC000574010011 377607176 /nfs/dbraw/zinc/60/71/76/377607176.db2.gz ATJHAZPFKUVZJL-GJZGRUSLSA-N -1 3 297.402 3.225 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2cnc(C)nc2C2CC2)c1 ZINC000574293154 377645300 /nfs/dbraw/zinc/64/53/00/377645300.db2.gz YTQXUYDMFUIIGZ-UHFFFAOYSA-N -1 3 297.358 3.183 20 0 CGADHM O=C([O-])[C@@H]1CCCN([C@H]2CCc3ccc(Cl)cc32)C1 ZINC000574458258 377665461 /nfs/dbraw/zinc/66/54/61/377665461.db2.gz BXZSOHBTRUXBFZ-RISCZKNCSA-N -1 3 279.767 3.124 20 0 CGADHM O=C([O-])[C@@H](c1c(F)cccc1Cl)N1C[C@@H]2CCC[C@@H]2C1 ZINC000574816935 377713272 /nfs/dbraw/zinc/71/32/72/377713272.db2.gz XSJTUHQDTOUDDS-ISTVAULSSA-N -1 3 297.757 3.337 20 0 CGADHM CC(C)Oc1ccccc1NC(=O)/C=C\c1cncc([O-])c1 ZINC000254912190 377716755 /nfs/dbraw/zinc/71/67/55/377716755.db2.gz JEMBCQHHQJIAJY-FPLPWBNLSA-N -1 3 298.342 3.226 20 0 CGADHM C[C@@H]1C[C@H]1c1ccc(/C=C\C(=O)[N-]OCc2cccnc2)o1 ZINC000254991145 377721208 /nfs/dbraw/zinc/72/12/08/377721208.db2.gz COIBKPBVCAPCNT-SQWULWQPSA-N -1 3 298.342 3.059 20 0 CGADHM Cc1cc2cc(NC(=O)/C=C\c3cncc([O-])c3)ccc2[nH]1 ZINC000255098361 377731210 /nfs/dbraw/zinc/73/12/10/377731210.db2.gz GAKHKLBUFSZYME-DJWKRKHSSA-N -1 3 293.326 3.229 20 0 CGADHM Cc1ccc(NC(=O)/C=C\c2cncc([O-])c2)c(Cl)c1 ZINC000255730626 377777337 /nfs/dbraw/zinc/77/73/37/377777337.db2.gz OGGYZOZVUBKMJG-HYXAFXHYSA-N -1 3 288.734 3.401 20 0 CGADHM CSc1cccc(NC(=O)/C=C\c2cncc([O-])c2)c1 ZINC000255225366 377743992 /nfs/dbraw/zinc/74/39/92/377743992.db2.gz XCBAYABDVFUNMN-WAYWQWQTSA-N -1 3 286.356 3.161 20 0 CGADHM O=C(/C=C\c1ccnc(Cl)c1)Nc1ccccc1[O-] ZINC000255868652 377784096 /nfs/dbraw/zinc/78/40/96/377784096.db2.gz QHUAKJZBDUKYAH-WAYWQWQTSA-N -1 3 274.707 3.093 20 0 CGADHM CC(C)C[C@H](CNCc1ccc([C@H]2C[C@H]2C)o1)C(=O)[O-] ZINC000263053291 377916884 /nfs/dbraw/zinc/91/68/84/377916884.db2.gz LFLPFENPZIFNSE-BZPMIXESSA-N -1 3 279.380 3.240 20 0 CGADHM CC(C)(C)c1nc(CNCCC(C)(C)C(=O)[O-])cs1 ZINC000263116319 377919550 /nfs/dbraw/zinc/91/95/50/377919550.db2.gz ZTFHBFBZQIOBQL-UHFFFAOYSA-N -1 3 284.425 3.031 20 0 CGADHM C[C@@H]1[C@H](C(=O)[O-])CCCN1Cc1ccc(Cl)s1 ZINC000263105047 377919650 /nfs/dbraw/zinc/91/96/50/377919650.db2.gz XOJJTFADLQOEHX-PSASIEDQSA-N -1 3 273.785 3.087 20 0 CGADHM C[C@@H]1CC[C@H](C(=O)[O-])CN1C/C=C/c1ccc(F)cc1F ZINC000263359446 377929323 /nfs/dbraw/zinc/92/93/23/377929323.db2.gz RPWOFYGHZPBIGQ-KTTDLOKESA-N -1 3 295.329 3.163 20 0 CGADHM O=C([O-])c1ccc(CN2CC[C@H](CC(F)(F)F)C2)cc1 ZINC000263379404 377931274 /nfs/dbraw/zinc/93/12/74/377931274.db2.gz BFYQAOSJGJXGEY-LLVKDONJSA-N -1 3 287.281 3.159 20 0 CGADHM O=C([O-])[C@@H](NCc1ccc2c(c1)CCCC2)c1ccccc1 ZINC000263420083 377934635 /nfs/dbraw/zinc/93/46/35/377934635.db2.gz OOHKBGMEHNHMRX-SFHVURJKSA-N -1 3 295.382 3.481 20 0 CGADHM CC(C)n1ccnc1SCc1cc(=O)[n-]c(C2CC2)n1 ZINC000575662468 377938627 /nfs/dbraw/zinc/93/86/27/377938627.db2.gz XCIIVSTUDSGLFZ-UHFFFAOYSA-N -1 3 290.392 3.129 20 0 CGADHM C[C@H](CN(C)Cc1ccc(-c2ccccc2F)o1)C(=O)[O-] ZINC000263510248 377942978 /nfs/dbraw/zinc/94/29/78/377942978.db2.gz NDKWWOKFWQAATO-LLVKDONJSA-N -1 3 291.322 3.238 20 0 CGADHM CC(C)[C@@H](NCc1ccc(Oc2ccccc2)o1)C(=O)[O-] ZINC000262687146 377906772 /nfs/dbraw/zinc/90/67/72/377906772.db2.gz DTCGYLCXMSTECW-OAHLLOKOSA-N -1 3 289.331 3.271 20 0 CGADHM Cc1cccc(-c2nc(CC3CC(F)(F)C3)no2)c1[O-] ZINC000575877877 377997461 /nfs/dbraw/zinc/99/74/61/377997461.db2.gz NUSKDUWDMYOQDV-UHFFFAOYSA-N -1 3 280.274 3.338 20 0 CGADHM Cc1ccoc1CNC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000343585805 378029036 /nfs/dbraw/zinc/02/90/36/378029036.db2.gz CKQGQIHPUOPOTM-UHFFFAOYSA-N -1 3 299.248 3.242 20 0 CGADHM Cc1cccc(C(=O)N2CC(C)(C)[C@@H]2c2cccnc2)c1[O-] ZINC000578201244 378047792 /nfs/dbraw/zinc/04/77/92/378047792.db2.gz HHGLYNMEOGFWAZ-INIZCTEOSA-N -1 3 296.370 3.319 20 0 CGADHM COc1ccc(Cl)c(CN2CC[C@H](C)C[C@@H]2C(=O)[O-])c1 ZINC000578369389 378063511 /nfs/dbraw/zinc/06/35/11/378063511.db2.gz IKVWMYKRMVAKCU-IINYFYTJSA-N -1 3 297.782 3.034 20 0 CGADHM CCCN(Cc1cc(C)c(C(=O)[O-])o1)C[C@@H]1CCCCO1 ZINC000577957931 378026367 /nfs/dbraw/zinc/02/63/67/378026367.db2.gz NAEFQWAFBOOHBA-ZDUSSCGKSA-N -1 3 295.379 3.067 20 0 CGADHM C[C@H](CN(C)Cc1ccc(C(=O)[O-])cn1)c1ccccc1 ZINC000578900928 378112201 /nfs/dbraw/zinc/11/22/01/378112201.db2.gz ZSNSWLSCTAYZDZ-CYBMUJFWSA-N -1 3 284.359 3.015 20 0 CGADHM O=C([O-])c1ccccc1CCN1CCc2ccc(F)cc2C1 ZINC000578995121 378120530 /nfs/dbraw/zinc/12/05/30/378120530.db2.gz ALSUAVVXLUMKHQ-UHFFFAOYSA-N -1 3 299.345 3.125 20 0 CGADHM CCc1noc(C)c1[N-]C(=O)c1csc(C(C)=O)c1 ZINC000343797626 378094960 /nfs/dbraw/zinc/09/49/60/378094960.db2.gz YUUKJJBJDZKBQB-UHFFFAOYSA-N -1 3 278.333 3.062 20 0 CGADHM O=C(c1ccncc1Cl)N1CCCc2cccc([O-])c21 ZINC000091456589 296273809 /nfs/dbraw/zinc/27/38/09/296273809.db2.gz FLQZNQOLPMVHAD-UHFFFAOYSA-N -1 3 288.734 3.034 20 0 CGADHM CSCCCC(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000345151450 378206890 /nfs/dbraw/zinc/20/68/90/378206890.db2.gz CSUBMGYGFHNXGT-NSHDSACASA-N -1 3 279.405 3.376 20 0 CGADHM CCN(C(=O)c1[n-]nc2c1cccc2OC)c1ccccc1 ZINC000345183253 378215645 /nfs/dbraw/zinc/21/56/45/378215645.db2.gz VUNUXCUNQVACMY-UHFFFAOYSA-N -1 3 295.342 3.238 20 0 CGADHM CCN(C(=O)c1n[n-]c2c1cccc2OC)c1ccccc1 ZINC000345183253 378215650 /nfs/dbraw/zinc/21/56/50/378215650.db2.gz VUNUXCUNQVACMY-UHFFFAOYSA-N -1 3 295.342 3.238 20 0 CGADHM O=C(NCc1ccc(C(F)F)cc1)c1ccccc1[O-] ZINC000184616883 542237004 /nfs/dbraw/zinc/23/70/04/542237004.db2.gz UOSBLHYTEXTGEG-UHFFFAOYSA-N -1 3 277.270 3.260 20 0 CGADHM [O-]c1ccc(-c2noc(C(C3CC3)C3CC3)n2)cc1 ZINC000270113063 378308983 /nfs/dbraw/zinc/30/89/83/378308983.db2.gz ZRWCHYIXEPXNTC-UHFFFAOYSA-N -1 3 256.305 3.346 20 0 CGADHM C[C@H]1CCN(Cc2ccc(C(=O)[O-])cc2F)CC1(C)C ZINC000583877460 378355932 /nfs/dbraw/zinc/35/59/32/378355932.db2.gz LDFFPLDDLQEWJO-NSHDSACASA-N -1 3 279.355 3.392 20 0 CGADHM C[C@H]1CC[C@H](C)N1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000345735587 378358540 /nfs/dbraw/zinc/35/85/40/378358540.db2.gz CPXJYIKTWCONCL-RYUDHWBXSA-N -1 3 279.355 3.253 20 0 CGADHM CCn1cc(C(=O)Nc2nc(C)ccc2[O-])c2ccccc21 ZINC000345923532 378409238 /nfs/dbraw/zinc/40/92/38/378409238.db2.gz IDIGJVZHQZJTBL-UHFFFAOYSA-N -1 3 295.342 3.323 20 0 CGADHM CCSc1ccc(C(=O)Nc2nc(C)ccc2[O-])cc1 ZINC000345927746 378410698 /nfs/dbraw/zinc/41/06/98/378410698.db2.gz MYISYEMAAQCUFK-UHFFFAOYSA-N -1 3 288.372 3.460 20 0 CGADHM CCC(CC)[C@H](C)C(=O)Nc1nc(C)ccc1[O-] ZINC000345984719 378429954 /nfs/dbraw/zinc/42/99/54/378429954.db2.gz NDAQZCYAYNEMMF-JTQLQIEISA-N -1 3 250.342 3.106 20 0 CGADHM COc1ccc(Cl)c(NC([O-])=NOC2CCCC2)c1 ZINC000271812863 378507699 /nfs/dbraw/zinc/50/76/99/378507699.db2.gz ORPFASCYHCXEPR-UHFFFAOYSA-N -1 3 284.743 3.344 20 0 CGADHM COc1ccc(Cl)c(NC(=O)[N-]OC2CCCC2)c1 ZINC000271812863 378507703 /nfs/dbraw/zinc/50/77/03/378507703.db2.gz ORPFASCYHCXEPR-UHFFFAOYSA-N -1 3 284.743 3.344 20 0 CGADHM CCCn1c(C(=O)Nc2ncccc2[O-])cc2ccccc21 ZINC000346595480 378639017 /nfs/dbraw/zinc/63/90/17/378639017.db2.gz RZCBBYZVFAAEMC-UHFFFAOYSA-N -1 3 295.342 3.404 20 0 CGADHM COCCC[C@H](C)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000272277579 378601940 /nfs/dbraw/zinc/60/19/40/378601940.db2.gz DGDQHYLGTHUDQM-VIFPVBQESA-N -1 3 271.744 3.047 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CC3(C2)CCCCC3)c1 ZINC000272794870 378704810 /nfs/dbraw/zinc/70/48/10/378704810.db2.gz XJQJCNSIYLOUPU-UHFFFAOYSA-N -1 3 259.349 3.107 20 0 CGADHM COc1cc(-c2noc([C@@H]3CCCCS3)n2)ccc1[O-] ZINC000272873537 378715873 /nfs/dbraw/zinc/71/58/73/378715873.db2.gz WADDNERGJBCHNU-LBPRGKRZSA-N -1 3 292.360 3.409 20 0 CGADHM O=C(c1ccccc1[O-])N1CCn2c(cc3ccccc32)C1 ZINC000436639298 284714871 /nfs/dbraw/zinc/71/48/71/284714871.db2.gz CHUABEWMHBOZAV-UHFFFAOYSA-N -1 3 292.338 3.003 20 0 CGADHM CC(C)=CCCNC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000276674501 378979070 /nfs/dbraw/zinc/97/90/70/378979070.db2.gz ZDYAMXLFFNGSMH-UHFFFAOYSA-N -1 3 270.332 3.027 20 0 CGADHM CCC1(CNC(=O)c2ccc([O-])c(OC)c2)CCCC1 ZINC000276922733 379021188 /nfs/dbraw/zinc/02/11/88/379021188.db2.gz MWSFDZJMSWFWNE-UHFFFAOYSA-N -1 3 277.364 3.101 20 0 CGADHM CC[C@@H]1CCC[C@@H](NC(=O)c2ccc([O-])c(OC)c2)C1 ZINC000276927435 379022890 /nfs/dbraw/zinc/02/28/90/379022890.db2.gz NOSGFTZVWUTVHC-DGCLKSJQSA-N -1 3 277.364 3.099 20 0 CGADHM Cc1ccc(-c2cc(-c3nc(-c4ccn(C)c4)no3)n[n-]2)o1 ZINC000347390085 218216521 /nfs/dbraw/zinc/21/65/21/218216521.db2.gz VJUZKSJZFMIUPW-UHFFFAOYSA-N -1 3 295.302 3.034 20 0 CGADHM Cc1ccc(-c2cc(-c3nc(-c4ccn(C)c4)no3)[n-]n2)o1 ZINC000347390085 218216523 /nfs/dbraw/zinc/21/65/23/218216523.db2.gz VJUZKSJZFMIUPW-UHFFFAOYSA-N -1 3 295.302 3.034 20 0 CGADHM C[C@H](c1ccccc1Cl)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000568749838 322220596 /nfs/dbraw/zinc/22/05/96/322220596.db2.gz WVUQCPKVSYKHRY-NQBHXWOUSA-N -1 3 281.783 3.444 20 0 CGADHM Cc1nc(S(=O)(=O)[C@@H](C)c2ccc(Cl)cc2)[n-]c1C ZINC000568653426 322217678 /nfs/dbraw/zinc/21/76/78/322217678.db2.gz CJEQTRAVJKLYSN-JTQLQIEISA-N -1 3 298.795 3.215 20 0 CGADHM COc1cc(-c2noc([C@H]3CCCS3)n2)ccc1[O-] ZINC000266637511 190272747 /nfs/dbraw/zinc/27/27/47/190272747.db2.gz WHHNUFNCMIMJKY-LLVKDONJSA-N -1 3 278.333 3.019 20 0 CGADHM O=C(CCCc1ccc([O-])c(F)c1)Nc1cccc(O)c1 ZINC000349934851 379451463 /nfs/dbraw/zinc/45/14/63/379451463.db2.gz IMFCCXBSQYAKRE-UHFFFAOYSA-N -1 3 289.306 3.198 20 0 CGADHM CO[C@@H]1CCC[C@H](CC(=O)Nc2ccc(C)cc2[O-])C1 ZINC000279630972 379475474 /nfs/dbraw/zinc/47/54/74/379475474.db2.gz KVWVNOXAOMLSOA-QWHCGFSZSA-N -1 3 277.364 3.234 20 0 CGADHM CC(C)C[C@H]1CCN([C@@H](C(=O)[O-])c2ccsc2)C1 ZINC000569858365 322258991 /nfs/dbraw/zinc/25/89/91/322258991.db2.gz VGYYLWOTMNMHPR-DGCLKSJQSA-N -1 3 267.394 3.242 20 0 CGADHM COc1ccc(C(=O)N(CC2CC2)CC2CCC2)c([O-])c1 ZINC000279920763 379553561 /nfs/dbraw/zinc/55/35/61/379553561.db2.gz DTYUMBBMINQNBI-UHFFFAOYSA-N -1 3 289.375 3.053 20 0 CGADHM CC(=O)c1csc(-c2nc(-c3ccc([O-])cc3)no2)c1 ZINC000350571521 379564789 /nfs/dbraw/zinc/56/47/89/379564789.db2.gz QEHOAIRWEJFSSN-UHFFFAOYSA-N -1 3 286.312 3.373 20 0 CGADHM Cc1ccccc1-n1nccc1C[N-]c1nc(C2CC2)no1 ZINC000279982265 379570714 /nfs/dbraw/zinc/57/07/14/379570714.db2.gz FRXIENVUYVXWBU-UHFFFAOYSA-N -1 3 295.346 3.053 20 0 CGADHM CCCc1nnc([N-]C(=O)c2cc(C)c(F)cc2F)s1 ZINC000267139248 190305996 /nfs/dbraw/zinc/30/59/96/190305996.db2.gz JXHYYFJOLBUHRT-UHFFFAOYSA-N -1 3 297.330 3.330 20 0 CGADHM CC1(C)C(CNC(=O)c2c[n-]c3ccccc3c2=O)C1(C)C ZINC000280483432 379715682 /nfs/dbraw/zinc/71/56/82/379715682.db2.gz JZQPEXMLBWYINU-UHFFFAOYSA-N -1 3 298.386 3.352 20 0 CGADHM CSCCON=C([O-])Nc1ccc2nc(C)sc2c1 ZINC000280550115 379731002 /nfs/dbraw/zinc/73/10/02/379731002.db2.gz PFBSHIPFOTWNNX-UHFFFAOYSA-N -1 3 297.405 3.021 20 0 CGADHM CSCCO[N-]C(=O)Nc1ccc2nc(C)sc2c1 ZINC000280550115 379731007 /nfs/dbraw/zinc/73/10/07/379731007.db2.gz PFBSHIPFOTWNNX-UHFFFAOYSA-N -1 3 297.405 3.021 20 0 CGADHM CCc1nc(C(=O)[N-]c2ncsc2C(C)C)co1 ZINC000570602771 322277559 /nfs/dbraw/zinc/27/75/59/322277559.db2.gz CVKSXYHFLKDYFQ-UHFFFAOYSA-N -1 3 265.338 3.069 20 0 CGADHM CC(C)c1occc1C(=O)NCc1ccc([O-])c(F)c1 ZINC000280825712 379801458 /nfs/dbraw/zinc/80/14/58/379801458.db2.gz YPRVQXAWIAPFNT-UHFFFAOYSA-N -1 3 277.295 3.178 20 0 CGADHM Cc1cc2occ(C(=O)NCc3ncccc3[O-])c2cc1C ZINC000352509610 379839654 /nfs/dbraw/zinc/83/96/54/379839654.db2.gz QEQZVKVPFKAPSM-UHFFFAOYSA-N -1 3 296.326 3.080 20 0 CGADHM O=C(Nc1cccc(-c2cn[nH]c2)c1)c1cccc([O-])c1 ZINC000378571917 379840438 /nfs/dbraw/zinc/84/04/38/379840438.db2.gz WEYPIZLGKSBRJD-UHFFFAOYSA-N -1 3 279.299 3.035 20 0 CGADHM COc1cc(F)cc(CNCc2c(F)ccc([O-])c2F)c1 ZINC000352709557 379918579 /nfs/dbraw/zinc/91/85/79/379918579.db2.gz DATOZYRMYXZCHA-UHFFFAOYSA-N -1 3 297.276 3.108 20 0 CGADHM CC(C)CSCCNCc1c(F)ccc([O-])c1F ZINC000352715937 379921499 /nfs/dbraw/zinc/92/14/99/379921499.db2.gz QOWISRRPGKNZFK-UHFFFAOYSA-N -1 3 275.364 3.149 20 0 CGADHM C[C@]1(CNCc2c(F)ccc([O-])c2F)CCCS1 ZINC000352669190 379902704 /nfs/dbraw/zinc/90/27/04/379902704.db2.gz XXAYHHOXVGJFCU-CYBMUJFWSA-N -1 3 273.348 3.046 20 0 CGADHM CC[C@@H](CNC(=O)c1cccc([O-])c1)CC(F)(F)F ZINC000402420718 379965622 /nfs/dbraw/zinc/96/56/22/379965622.db2.gz BXHNDGDKDVCAJC-SECBINFHSA-N -1 3 275.270 3.101 20 0 CGADHM CC[C@H](CNC(=O)c1cccc([O-])c1)CC(F)(F)F ZINC000402420719 379965650 /nfs/dbraw/zinc/96/56/50/379965650.db2.gz BXHNDGDKDVCAJC-VIFPVBQESA-N -1 3 275.270 3.101 20 0 CGADHM Cc1ccc(C(=O)N(C)C[C@@H]2CC=CCC2)c([O-])c1 ZINC000402782160 379972691 /nfs/dbraw/zinc/97/26/91/379972691.db2.gz RGRHCMQSAZWWDO-CYBMUJFWSA-N -1 3 259.349 3.129 20 0 CGADHM C[C@@H](CCC1CC1)NC(=O)Cc1ccc([O-])cc1Cl ZINC000347854197 218378498 /nfs/dbraw/zinc/37/84/98/218378498.db2.gz YFVZFLPDCNIJHQ-JTQLQIEISA-N -1 3 281.783 3.283 20 0 CGADHM CC(C)COc1ccccc1CNCc1ncccc1[O-] ZINC000347873950 218385605 /nfs/dbraw/zinc/38/56/05/218385605.db2.gz GDBIRSWYVLINOA-UHFFFAOYSA-N -1 3 286.375 3.112 20 0 CGADHM COc1cc(C(=O)N(C)[C@@H](C)c2cccs2)ccc1[O-] ZINC000268119193 190378143 /nfs/dbraw/zinc/37/81/43/190378143.db2.gz BGKSFLDIMRQXCM-JTQLQIEISA-N -1 3 291.372 3.296 20 0 CGADHM C[C@@H](NCc1cc([O-])cc(F)c1)c1ccc2n[nH]cc2c1 ZINC000353104030 380116267 /nfs/dbraw/zinc/11/62/67/380116267.db2.gz UVUAVALGESEJQN-SNVBAGLBSA-N -1 3 285.322 3.258 20 0 CGADHM COCCCNC(=O)c1cc(C(C)C)cc(C(C)C)c1[O-] ZINC000641922842 380121802 /nfs/dbraw/zinc/12/18/02/380121802.db2.gz COFWVFRETSMXDI-UHFFFAOYSA-N -1 3 293.407 3.405 20 0 CGADHM CN(CC[C@H]1CCCO1)Cc1cccc([O-])c1Cl ZINC000353122897 380126000 /nfs/dbraw/zinc/12/60/00/380126000.db2.gz HMFKRBAYQFKVGW-GFCCVEGCSA-N -1 3 269.772 3.047 20 0 CGADHM Cc1cccc(OCCOc2ccc3c([O-])coc3c2)c1 ZINC000642608871 380179685 /nfs/dbraw/zinc/17/96/85/380179685.db2.gz RMVIAYVKNVWRNE-UHFFFAOYSA-N -1 3 284.311 3.028 20 0 CGADHM Cc1ccc([O-])c(CN2C[C@H](C)[C@H]2c2ccccc2)n1 ZINC000354043595 380296703 /nfs/dbraw/zinc/29/67/03/380296703.db2.gz AFVRGVDVVITYQE-SJCJKPOMSA-N -1 3 268.360 3.289 20 0 CGADHM O=C([O-])c1cccc(CN2CC[C@H](Nc3ccccc3)C2)c1 ZINC000414635936 380347321 /nfs/dbraw/zinc/34/73/21/380347321.db2.gz JAHBBXYFJRTLEB-KRWDZBQOSA-N -1 3 296.370 3.071 20 0 CGADHM CC[C@H](N[C@H](C)c1nc(C)cc(=O)[n-]1)c1ccccc1 ZINC000279064094 194268498 /nfs/dbraw/zinc/26/84/98/194268498.db2.gz JARORMRAGWVIIZ-OCCSQVGLSA-N -1 3 271.364 3.293 20 0 CGADHM C[C@H](CC(=O)[O-])NCc1ccc(-c2ccc(F)cc2)o1 ZINC000414639291 380349154 /nfs/dbraw/zinc/34/91/54/380349154.db2.gz PQJUDNVMEAGBQT-SNVBAGLBSA-N -1 3 277.295 3.039 20 0 CGADHM Cc1noc([N-]C(=O)COc2ccsc2Cl)c1C ZINC000354196710 380360299 /nfs/dbraw/zinc/36/02/99/380360299.db2.gz XHXWGCISYTVFTK-UHFFFAOYSA-N -1 3 286.740 3.024 20 0 CGADHM Cc1cc(C(=O)Nc2ccc(-c3nnco3)cc2)ccc1[O-] ZINC000354419067 380431147 /nfs/dbraw/zinc/43/11/47/380431147.db2.gz OMEJEXHWSFANMX-UHFFFAOYSA-N -1 3 295.298 3.003 20 0 CGADHM Cc1cc(C(=O)N[C@@H]2C[C@@H]2c2cccc(F)c2)ccc1[O-] ZINC000354372960 380417764 /nfs/dbraw/zinc/41/77/64/380417764.db2.gz QQVXQCSGHPJDBR-HUUCEWRRSA-N -1 3 285.318 3.126 20 0 CGADHM CC(C)Sc1cccc(Cl)c1CNCC(=O)[O-] ZINC000417536894 380635124 /nfs/dbraw/zinc/63/51/24/380635124.db2.gz RKUAQKCBIYJRBN-UHFFFAOYSA-N -1 3 273.785 3.015 20 0 CGADHM CCC[C@H](C)C[C@@H](NCc1cc(F)ccc1OC)C(=O)[O-] ZINC000417559147 380638560 /nfs/dbraw/zinc/63/85/60/380638560.db2.gz HLKLDPVQTYSSEN-SMDDNHRTSA-N -1 3 297.370 3.203 20 0 CGADHM Cc1ccc(-c2ccc(CNC[C@H](C)C(=O)[O-])o2)cc1 ZINC000417585308 380645546 /nfs/dbraw/zinc/64/55/46/380645546.db2.gz OJPPHHGULIAFGI-LBPRGKRZSA-N -1 3 273.332 3.065 20 0 CGADHM C[C@@H](CCC(=O)[O-])NCc1ccc(Oc2ccccc2)o1 ZINC000417607211 380648813 /nfs/dbraw/zinc/64/88/13/380648813.db2.gz GNMTYIYPAJXLDB-LBPRGKRZSA-N -1 3 289.331 3.415 20 0 CGADHM [O-]c1cccnc1CNCc1cc(Cl)cc2cccnc21 ZINC000355334744 380647041 /nfs/dbraw/zinc/64/70/41/380647041.db2.gz SMVWCZPOQXUHRD-UHFFFAOYSA-N -1 3 299.761 3.279 20 0 CGADHM CC[C@H](CCNCc1c(F)cccc1Cl)C(=O)[O-] ZINC000417652608 380662423 /nfs/dbraw/zinc/66/24/23/380662423.db2.gz RAYGMHIOOXBHDM-SECBINFHSA-N -1 3 273.735 3.070 20 0 CGADHM O=C([O-])[C@@H](CC1CCCCC1)NCc1cc(F)ccc1F ZINC000417610875 380649853 /nfs/dbraw/zinc/64/98/53/380649853.db2.gz OAWVNVUONZTIAB-OAHLLOKOSA-N -1 3 297.345 3.478 20 0 CGADHM Cc1cc(C)cc(CNC[C@H](CC(=O)[O-])C(F)(F)F)c1 ZINC000417620796 380655140 /nfs/dbraw/zinc/65/51/40/380655140.db2.gz GPCSGELTLIHEHW-LBPRGKRZSA-N -1 3 289.297 3.046 20 0 CGADHM CCC[C@H](CCCCNCc1occc1C)C(=O)[O-] ZINC000417636594 380659325 /nfs/dbraw/zinc/65/93/25/380659325.db2.gz HCYIIHVQGKEWHT-CYBMUJFWSA-N -1 3 267.369 3.349 20 0 CGADHM O=C(Nc1ccc([O-])cc1F)c1cc2[nH]ccc2s1 ZINC000356694772 380827120 /nfs/dbraw/zinc/82/71/20/380827120.db2.gz GNPPAVDHGYPCMG-UHFFFAOYSA-N -1 3 276.292 3.326 20 0 CGADHM CC[C@]1(C)CCN(C(=O)Cc2ccc([O-])cc2Cl)C1 ZINC000357424030 381152996 /nfs/dbraw/zinc/15/29/96/381152996.db2.gz OZSBBICKTMGXNP-OAHLLOKOSA-N -1 3 281.783 3.237 20 0 CGADHM Cc1ccc(CC[C@H](C)NC(=O)c2cccc([O-])c2)o1 ZINC000357374616 381134105 /nfs/dbraw/zinc/13/41/05/381134105.db2.gz NUWMEIOLYWYRGF-NSHDSACASA-N -1 3 273.332 3.045 20 0 CGADHM CC1CCC(CC(=O)Nc2nnc(-c3ccco3)[n-]2)CC1 ZINC000359959397 381388625 /nfs/dbraw/zinc/38/86/25/381388625.db2.gz NIUYCBPJAMHKEN-UHFFFAOYSA-N -1 3 288.351 3.220 20 0 CGADHM CC1CCC(CC(=O)Nc2nc(-c3ccco3)n[n-]2)CC1 ZINC000359959397 381388633 /nfs/dbraw/zinc/38/86/33/381388633.db2.gz NIUYCBPJAMHKEN-UHFFFAOYSA-N -1 3 288.351 3.220 20 0 CGADHM CC1CCC(CC(=O)Nc2n[n-]c(-c3ccco3)n2)CC1 ZINC000359959397 381388638 /nfs/dbraw/zinc/38/86/38/381388638.db2.gz NIUYCBPJAMHKEN-UHFFFAOYSA-N -1 3 288.351 3.220 20 0 CGADHM CC(C)=CCCNC(=O)Cc1ccc([O-])cc1Cl ZINC000360219108 381485145 /nfs/dbraw/zinc/48/51/45/381485145.db2.gz JFDUDRXJIMGRMF-UHFFFAOYSA-N -1 3 267.756 3.061 20 0 CGADHM CC1(F)CC(NC(=O)c2cc([O-])ccc2C(F)(F)F)C1 ZINC000334873639 207223972 /nfs/dbraw/zinc/22/39/72/207223972.db2.gz QYKNXMZHCZWBJA-UHFFFAOYSA-N -1 3 291.244 3.031 20 0 CGADHM Cc1cscc1[N-]S(=O)(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000334873215 207224684 /nfs/dbraw/zinc/22/46/84/207224684.db2.gz FDUUKIPXKRHTIE-GXTWGEPZSA-N -1 3 293.413 3.354 20 0 CGADHM Cc1cc(C(=O)N(C)[C@H](C)c2cccc(O)c2)ccc1[O-] ZINC000334890476 207249894 /nfs/dbraw/zinc/24/98/94/207249894.db2.gz KPBHYGOLXKUBPT-GFCCVEGCSA-N -1 3 285.343 3.239 20 0 CGADHM CCc1cc(C(=O)N[C@@H](C)c2nc(C)cs2)ccc1[O-] ZINC000362721877 382106671 /nfs/dbraw/zinc/10/66/71/382106671.db2.gz INGFDEUEJOCTRV-JTQLQIEISA-N -1 3 290.388 3.211 20 0 CGADHM CCc1cc(C(=O)N2CCc3c(F)cccc3C2)ccc1[O-] ZINC000362959557 382166280 /nfs/dbraw/zinc/16/62/80/382166280.db2.gz AXYYRAXABUPJKP-UHFFFAOYSA-N -1 3 299.345 3.292 20 0 CGADHM O=C(NC[C@H]1CC[C@H](c2ccccc2)O1)c1cccc([O-])c1 ZINC000366472149 382310959 /nfs/dbraw/zinc/31/09/59/382310959.db2.gz ZIKQOOLVLGKBAB-IAGOWNOFSA-N -1 3 297.354 3.042 20 0 CGADHM CC1=CCN(C(=O)c2cc([O-])ccc2C(F)(F)F)CC1 ZINC000281049835 195083689 /nfs/dbraw/zinc/08/36/89/195083689.db2.gz BJRKKHNFBKHKCS-UHFFFAOYSA-N -1 3 285.265 3.203 20 0 CGADHM Cc1ncsc1CO[N-]C(=O)CCCc1ccccc1 ZINC000289426980 197341561 /nfs/dbraw/zinc/34/15/61/197341561.db2.gz RJDQWMXSQLFOLO-UHFFFAOYSA-N -1 3 290.388 3.022 20 0 CGADHM CCc1cc(N[C@H](C)C(=O)[N-]c2cc(C)no2)ccc1F ZINC000349966936 218962695 /nfs/dbraw/zinc/96/26/95/218962695.db2.gz AGNRWOPTQQLOQD-SNVBAGLBSA-N -1 3 291.326 3.124 20 0 CGADHM CN(CC1CC1)C(=O)c1cc([O-])c2ccccc2c1 ZINC000279408433 542379070 /nfs/dbraw/zinc/37/90/70/542379070.db2.gz BTJVPCPKQCKQAM-UHFFFAOYSA-N -1 3 255.317 3.027 20 0 CGADHM C[C@H](NC(=O)c1cc([O-])c2ccccc2c1)C1CCOCC1 ZINC000281760844 542384570 /nfs/dbraw/zinc/38/45/70/542384570.db2.gz YVWHBHHGTALTNN-LBPRGKRZSA-N -1 3 299.370 3.090 20 0 CGADHM O=C(Nc1ccc([O-])cc1F)[C@@H]1CC[C@@H](C(F)(F)F)C1 ZINC000334435799 542456776 /nfs/dbraw/zinc/45/67/76/542456776.db2.gz PIQSTIAAFVEJBN-HTQZYQBOSA-N -1 3 291.244 3.448 20 0 CGADHM c1ccc(-c2n[n-]nc2-c2nc([C@H]3CCCS3)no2)cc1 ZINC000346959194 542510209 /nfs/dbraw/zinc/51/02/09/542510209.db2.gz ITXBQUHJBHMKBA-SNVBAGLBSA-N -1 3 299.359 3.090 20 0 CGADHM CCCn1nccc1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000352505772 542553096 /nfs/dbraw/zinc/55/30/96/542553096.db2.gz GEEFCUOPTGVARZ-UHFFFAOYSA-N -1 3 295.342 3.404 20 0 CGADHM O=C([O-])CCCN(Cc1ccco1)Cc1cccs1 ZINC000521304480 260040568 /nfs/dbraw/zinc/04/05/68/260040568.db2.gz ACPDCBDMNGQLSZ-UHFFFAOYSA-N -1 3 279.361 3.208 20 0 CGADHM CN(Cc1cscn1)C(=O)c1cc([O-])c2ccccc2c1 ZINC000354962909 542564912 /nfs/dbraw/zinc/56/49/12/542564912.db2.gz YCLOFMIGBNAFID-UHFFFAOYSA-N -1 3 298.367 3.274 20 0 CGADHM CC[C@@H](C)N(C)C(=O)c1cc([O-])c2ccccc2c1 ZINC000354811141 542563680 /nfs/dbraw/zinc/56/36/80/542563680.db2.gz NROUGEGWJQXFNT-LLVKDONJSA-N -1 3 257.333 3.416 20 0 CGADHM CN(Cc1nccs1)C(=O)c1cc([O-])c2ccccc2c1 ZINC000354919185 542564688 /nfs/dbraw/zinc/56/46/88/542564688.db2.gz WLUFODZGTRKCOT-UHFFFAOYSA-N -1 3 298.367 3.274 20 0 CGADHM Cc1ncsc1CNC(=O)c1cc([O-])c2ccccc2c1 ZINC000354257730 542562503 /nfs/dbraw/zinc/56/25/03/542562503.db2.gz XIGFHPWAWBKTGT-UHFFFAOYSA-N -1 3 298.367 3.240 20 0 CGADHM CC[C@H](NC(=O)c1cc([O-])c2ccccc2c1)c1ncc[nH]1 ZINC000355726690 542568164 /nfs/dbraw/zinc/56/81/64/542568164.db2.gz BCGHDVPVFDGJJU-AWEZNQCLSA-N -1 3 295.342 3.150 20 0 CGADHM COc1ccc(C(=O)N2CC(C)(C)CC(C)(C)C2)c([O-])c1 ZINC000436810799 533288498 /nfs/dbraw/zinc/28/84/98/533288498.db2.gz YNPMOGJMUIKFSD-UHFFFAOYSA-N -1 3 291.391 3.299 20 0 CGADHM COCc1ncc(C(=O)[N-]c2ccsc2Cl)s1 ZINC000355002101 533291482 /nfs/dbraw/zinc/29/14/82/533291482.db2.gz PGVMXYSPIICKJS-UHFFFAOYSA-N -1 3 288.781 3.257 20 0 CGADHM COc1ccc(C(=O)N[C@H]2C[C@H](c3ccccc3)C2)c([O-])c1 ZINC000437399540 533345287 /nfs/dbraw/zinc/34/52/87/533345287.db2.gz CAEBETJXJNVICC-HDJSIYSDSA-N -1 3 297.354 3.077 20 0 CGADHM COc1ccc(C(=O)NC[C@@H](C)c2cccc(C)c2)c([O-])c1 ZINC000436994060 533325822 /nfs/dbraw/zinc/32/58/22/533325822.db2.gz AFDBAFFARLNRES-CYBMUJFWSA-N -1 3 299.370 3.243 20 0 CGADHM COc1cccc(C(=O)N[C@H](C)Cc2ccccc2C)c1[O-] ZINC000436668999 533417651 /nfs/dbraw/zinc/41/76/51/533417651.db2.gz GULZFBBALPJBNM-CYBMUJFWSA-N -1 3 299.370 3.070 20 0 CGADHM Cc1ccc(C(=O)N[C@H](c2ccccc2)C(F)F)c([O-])c1 ZINC000437003945 533594446 /nfs/dbraw/zinc/59/44/46/533594446.db2.gz LAYQELSNRAIXFQ-CQSZACIVSA-N -1 3 291.297 3.437 20 0 CGADHM Cc1ccc(C(=O)N[C@H]2CCCO[C@@H]2CC(C)C)c([O-])c1 ZINC000436562527 533595014 /nfs/dbraw/zinc/59/50/14/533595014.db2.gz JTJNBOVFDIAIFH-GOEBONIOSA-N -1 3 291.391 3.024 20 0 CGADHM COc1ccc(CN2CCC[C@@H](C)[C@H]2C(=O)[O-])c(Cl)c1 ZINC000424273564 533556211 /nfs/dbraw/zinc/55/62/11/533556211.db2.gz SYTRQFNRMFYJMX-YGRLFVJLSA-N -1 3 297.782 3.034 20 0 CGADHM CCCCCN(C(=O)c1cc(OC)ccc1[O-])C(C)C ZINC000047846414 391991183 /nfs/dbraw/zinc/99/11/83/391991183.db2.gz OXRPDBORVOIBSO-UHFFFAOYSA-N -1 3 279.380 3.442 20 0 CGADHM CCOc1cccc(NC(=O)c2cccc(C)c2[O-])c1 ZINC000048442493 392000466 /nfs/dbraw/zinc/00/04/66/392000466.db2.gz KERPNMUYLLQDTI-UHFFFAOYSA-N -1 3 271.316 3.352 20 0 CGADHM CC(C)c1ccc(C(=O)N(C)Cc2ccoc2)c([O-])c1 ZINC000048753046 392013163 /nfs/dbraw/zinc/01/31/63/392013163.db2.gz KOOFDLVTWUTKAC-UHFFFAOYSA-N -1 3 273.332 3.381 20 0 CGADHM CCc1nc(CC(=O)Nc2cc(Cl)ccc2[O-])cs1 ZINC000048925475 392025651 /nfs/dbraw/zinc/02/56/51/392025651.db2.gz JEARTBDBHNQNCT-UHFFFAOYSA-N -1 3 296.779 3.246 20 0 CGADHM CC(C)c1ccc(C(=O)NCc2ccoc2)c([O-])c1 ZINC000049002472 392029419 /nfs/dbraw/zinc/02/94/19/392029419.db2.gz RHKJRAYCHURARP-UHFFFAOYSA-N -1 3 259.305 3.039 20 0 CGADHM CCCCN(C(=O)c1cc(OC)ccc1[O-])[C@H](C)CC ZINC000055487487 392098941 /nfs/dbraw/zinc/09/89/41/392098941.db2.gz MIAFWTZOCHFXJJ-GFCCVEGCSA-N -1 3 279.380 3.442 20 0 CGADHM O=C(NCc1ccc(C(F)(F)F)cc1)c1cccc([O-])c1 ZINC000059436754 392118701 /nfs/dbraw/zinc/11/87/01/392118701.db2.gz LMMNBYCJNYWYRY-UHFFFAOYSA-N -1 3 295.260 3.341 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])c1ccncc1Cl ZINC000072701088 392210457 /nfs/dbraw/zinc/21/04/57/392210457.db2.gz RPTZDKQMAHKWCL-UHFFFAOYSA-N -1 3 283.114 3.346 20 0 CGADHM COc1cccc(C(=O)N2CCC[C@H]2c2ccccc2)c1[O-] ZINC000078569611 392218680 /nfs/dbraw/zinc/21/86/80/392218680.db2.gz KHZPXCDEBHLVHL-HNNXBMFYSA-N -1 3 297.354 3.378 20 0 CGADHM C[C@@H](C(=O)[N-][C@@](C)(C1CC1)C(F)(F)F)C(F)(F)F ZINC000361243504 392264477 /nfs/dbraw/zinc/26/44/77/392264477.db2.gz JLBNFVRVTIHLFC-XNCJUZBTSA-N -1 3 277.208 3.032 20 0 CGADHM COc1ccc(NC(=O)CCc2cccs2)c([O-])c1 ZINC000442700233 542666027 /nfs/dbraw/zinc/66/60/27/542666027.db2.gz GJNFYXNQPDISCL-UHFFFAOYSA-N -1 3 277.345 3.034 20 0 CGADHM CCC[C@@H](C)CC(=O)Nc1ccc(OC)cc1[O-] ZINC000443557310 542666602 /nfs/dbraw/zinc/66/66/02/542666602.db2.gz IXAPLTJXWCFRHE-SNVBAGLBSA-N -1 3 251.326 3.166 20 0 CGADHM COc1ccc(NC(=O)C[C@H]2CC[C@@H](C)C2)c([O-])c1 ZINC000443559264 542667026 /nfs/dbraw/zinc/66/70/26/542667026.db2.gz NTBYSGVHPNTFOF-MNOVXSKESA-N -1 3 263.337 3.166 20 0 CGADHM COc1ccc(NC(=O)C2C[C@H](C)C[C@@H](C)C2)c([O-])c1 ZINC000443556057 542667059 /nfs/dbraw/zinc/66/70/59/542667059.db2.gz DJXNDNCRPVFPGX-GHMZBOCLSA-N -1 3 277.364 3.412 20 0 CGADHM COc1ccc(NC(=O)C2(c3cccc(C)c3)CC2)c([O-])c1 ZINC000443568455 542667328 /nfs/dbraw/zinc/66/73/28/542667328.db2.gz RIURIIPPXBSGEY-UHFFFAOYSA-N -1 3 297.354 3.380 20 0 CGADHM COc1ccc(NC(=O)C2C(C)(C)C2(C)C)c([O-])c1 ZINC000443572988 542667622 /nfs/dbraw/zinc/66/76/22/542667622.db2.gz IIUCZMGNSOIXIV-UHFFFAOYSA-N -1 3 263.337 3.022 20 0 CGADHM COC(=O)c1cnc(SCCCC2CCCC2)[n-]1 ZINC000361996036 392383612 /nfs/dbraw/zinc/38/36/12/392383612.db2.gz MAJSWJXUPOLAGW-UHFFFAOYSA-N -1 3 268.382 3.259 20 0 CGADHM CCc1cc(C(=O)NC[C@@H](OC)c2ccccc2)ccc1[O-] ZINC000291559973 392468138 /nfs/dbraw/zinc/46/81/38/392468138.db2.gz XTOIJURQDMCQQW-QGZVFWFLSA-N -1 3 299.370 3.072 20 0 CGADHM CC(C)=CCCNC(=O)c1cc([O-])ccc1Cl ZINC000290571152 392451162 /nfs/dbraw/zinc/45/11/62/392451162.db2.gz YOIUANFYKRCJGC-UHFFFAOYSA-N -1 3 253.729 3.132 20 0 CGADHM CCc1cc(C(=O)N2CCC[C@@H]2c2ccncc2)ccc1[O-] ZINC000291487896 392462123 /nfs/dbraw/zinc/46/21/23/392462123.db2.gz NRMXJKOJEYTPKQ-MRXNPFEDSA-N -1 3 296.370 3.327 20 0 CGADHM C[C@H]1CCN(C(=O)c2ocnc2C2CC2)c2c([O-])cccc21 ZINC000291790746 392481683 /nfs/dbraw/zinc/48/16/83/392481683.db2.gz YKEIPDIPGOZGCC-JTQLQIEISA-N -1 3 298.342 3.412 20 0 CGADHM CC(C)CCCCC(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000457527842 392680962 /nfs/dbraw/zinc/68/09/62/392680962.db2.gz RZCPOMAPUSTVDI-UHFFFAOYSA-N -1 3 276.340 3.220 20 0 CGADHM CC(C)CCCCC(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000457527842 392680967 /nfs/dbraw/zinc/68/09/67/392680967.db2.gz RZCPOMAPUSTVDI-UHFFFAOYSA-N -1 3 276.340 3.220 20 0 CGADHM CC(C)CCCCC(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000457527842 392680973 /nfs/dbraw/zinc/68/09/73/392680973.db2.gz RZCPOMAPUSTVDI-UHFFFAOYSA-N -1 3 276.340 3.220 20 0 CGADHM CCc1nnc([N-]C(=O)c2scnc2C(C)(C)C)s1 ZINC000176626481 392656078 /nfs/dbraw/zinc/65/60/78/392656078.db2.gz NBTWAFRXSCENFA-UHFFFAOYSA-N -1 3 296.421 3.107 20 0 CGADHM C[C@@H](C(=O)Nc1cc(Cl)ccc1[O-])C1CCC1 ZINC000457665174 392725036 /nfs/dbraw/zinc/72/50/36/392725036.db2.gz PRUMZWVPOAMNLD-MRVPVSSYSA-N -1 3 253.729 3.420 20 0 CGADHM CC[C@@H](C)[C@H](C)C(=O)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000505799871 392699467 /nfs/dbraw/zinc/69/94/67/392699467.db2.gz XCCJYVCBNGLNQH-NEPJUHHUSA-N -1 3 271.364 3.119 20 0 CGADHM CCC[C@](C)(O)C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000506254108 392717851 /nfs/dbraw/zinc/71/78/51/392717851.db2.gz NAHMMKHDFRVTLC-INIZCTEOSA-N -1 3 279.380 3.179 20 0 CGADHM Cc1cccc(C(=O)N[C@@H](C)CCCc2cccnc2)c1[O-] ZINC000457913912 392798363 /nfs/dbraw/zinc/79/83/63/392798363.db2.gz QIPDLJBPKSKPDN-AWEZNQCLSA-N -1 3 298.386 3.237 20 0 CGADHM C[C@H]1CC[C@H](NCc2c(F)ccc([O-])c2F)CC1 ZINC000510949108 392821827 /nfs/dbraw/zinc/82/18/27/392821827.db2.gz GVDIRQXESOMYHD-MGCOHNPYSA-N -1 3 255.308 3.339 20 0 CGADHM Cc1cscc1[N-]C(=O)c1nc2cccnc2s1 ZINC000338222747 392901561 /nfs/dbraw/zinc/90/15/61/392901561.db2.gz LVKPQIZIHNWRJR-UHFFFAOYSA-N -1 3 275.358 3.314 20 0 CGADHM CC1=CCN([C@@H](C(=O)[O-])c2ccccc2C(F)(F)F)CC1 ZINC000514610335 392857616 /nfs/dbraw/zinc/85/76/16/392857616.db2.gz WAEYQOBXMUKRNO-CYBMUJFWSA-N -1 3 299.292 3.483 20 0 CGADHM C[C@@H](c1ccco1)N(C(=O)c1ccccc1[O-])C1CC1 ZINC000194485858 392925398 /nfs/dbraw/zinc/92/53/98/392925398.db2.gz GZLDVAYMQURBSI-NSHDSACASA-N -1 3 271.316 3.351 20 0 CGADHM C[C@@H]1CC(c2nc3cccnc3c(=O)[n-]2)C[C@@H](C)C1 ZINC000491571539 542717768 /nfs/dbraw/zinc/71/77/68/542717768.db2.gz FKWNEJFSIJYSKS-UWVGGRQHSA-N -1 3 257.337 3.270 20 0 CGADHM Cc1cccc(C(=O)Nc2ccc3cc[nH]c3c2)c1[O-] ZINC000194797382 392938205 /nfs/dbraw/zinc/93/82/05/392938205.db2.gz UMYMLNFFGJZOTG-UHFFFAOYSA-N -1 3 266.300 3.434 20 0 CGADHM O=C([O-])c1ccc(CN2CCC(c3ccccc3)CC2)o1 ZINC000520823805 542739133 /nfs/dbraw/zinc/73/91/33/542739133.db2.gz NENRLYQODZSNCT-UHFFFAOYSA-N -1 3 285.343 3.357 20 0 CGADHM C[C@H]1C[C@H](C)N(C(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000527466497 542742598 /nfs/dbraw/zinc/74/25/98/542742598.db2.gz PMYUPNZBUSAMCB-RYUDHWBXSA-N -1 3 269.344 3.416 20 0 CGADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCC[C@@H]2CCC[C@@H]21 ZINC000266204884 393176954 /nfs/dbraw/zinc/17/69/54/393176954.db2.gz IDUJKGPEGJISAO-LRDDRELGSA-N -1 3 296.370 3.345 20 0 CGADHM Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCC2)c1[O-] ZINC000648705815 393215236 /nfs/dbraw/zinc/21/52/36/393215236.db2.gz QZSBXZSDUFTVON-OAHLLOKOSA-N -1 3 273.376 3.495 20 0 CGADHM CCCCC[N-]S(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000471693508 393293487 /nfs/dbraw/zinc/29/34/87/393293487.db2.gz PKHBQEYOVYCQQH-UHFFFAOYSA-N -1 3 293.791 3.256 20 0 CGADHM C[C@H]1CCCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000646569433 393302628 /nfs/dbraw/zinc/30/26/28/393302628.db2.gz ZULJKXULHPSUPK-VIFPVBQESA-N -1 3 287.281 3.283 20 0 CGADHM O=C(NCC1CCCC1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000646656423 393312004 /nfs/dbraw/zinc/31/20/04/393312004.db2.gz VYUCGTOKPYGMHL-UHFFFAOYSA-N -1 3 287.281 3.331 20 0 CGADHM Cc1ccc([O-])c(NC(=O)C2(C(F)(F)F)CCCC2)n1 ZINC000416225450 393281422 /nfs/dbraw/zinc/28/14/22/393281422.db2.gz SHPLSBLWSQMRDN-UHFFFAOYSA-N -1 3 288.269 3.157 20 0 CGADHM CSc1nnc(NC(=O)CC(C)(C)C2CCCCC2)[n-]1 ZINC000475430057 393401152 /nfs/dbraw/zinc/40/11/52/393401152.db2.gz JNPDJQIHETYTBD-UHFFFAOYSA-N -1 3 296.440 3.462 20 0 CGADHM CSc1n[n-]c(NC(=O)CC(C)(C)C2CCCCC2)n1 ZINC000475430057 393401158 /nfs/dbraw/zinc/40/11/58/393401158.db2.gz JNPDJQIHETYTBD-UHFFFAOYSA-N -1 3 296.440 3.462 20 0 CGADHM CSc1nc(NC(=O)CC(C)(C)C2CCCCC2)n[n-]1 ZINC000475430057 393401162 /nfs/dbraw/zinc/40/11/62/393401162.db2.gz JNPDJQIHETYTBD-UHFFFAOYSA-N -1 3 296.440 3.462 20 0 CGADHM CC1(C)CCC[C@@H]1[C@H]1CCN(C(=O)c2csc(=O)[n-]2)C1 ZINC000649067941 393343365 /nfs/dbraw/zinc/34/33/65/393343365.db2.gz ZQPZOIXREQUZTM-WDEREUQCSA-N -1 3 294.420 3.137 20 0 CGADHM CC(C)[C@@H]1N(C(=O)c2cccc([O-])c2)CC12CC=CC2 ZINC000649146561 393359230 /nfs/dbraw/zinc/35/92/30/393359230.db2.gz UJLKGEZWVPTNQX-HNNXBMFYSA-N -1 3 271.360 3.209 20 0 CGADHM CCc1cc(N2CC[C@H](C(=O)[O-])[C@@H](C)C2)c2ccccc2n1 ZINC000649404600 393413167 /nfs/dbraw/zinc/41/31/67/393413167.db2.gz PEZLKSQGPFFVOE-JSGCOSHPSA-N -1 3 298.386 3.344 20 0 CGADHM O=C(CCCC(F)(F)F)Nc1cc(F)ccc1[O-] ZINC000356321218 393420016 /nfs/dbraw/zinc/42/00/16/393420016.db2.gz MQLMGWLHOWUZEC-UHFFFAOYSA-N -1 3 265.206 3.202 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-]CC(C)(C)C2=CCCCC2)o1 ZINC000476195803 393427581 /nfs/dbraw/zinc/42/75/81/393427581.db2.gz QFCZLYNXIZQGRI-UHFFFAOYSA-N -1 3 297.420 3.393 20 0 CGADHM CC[C@@H](NC(=O)c1ccc(C(C)=O)c([O-])c1)[C@@H]1CC1(C)C ZINC000420150373 393431514 /nfs/dbraw/zinc/43/15/14/393431514.db2.gz KOSAFKAKMBXELT-UONOGXRCSA-N -1 3 289.375 3.149 20 0 CGADHM [O-]c1cc(CN2CCCc3n[nH]cc32)cc(C(F)(F)F)c1 ZINC000356412651 393437966 /nfs/dbraw/zinc/43/79/66/393437966.db2.gz ZHYREUQPUVIGEM-UHFFFAOYSA-N -1 3 297.280 3.087 20 0 CGADHM O=C([O-])[C@@H](CNCc1cccc(Cl)c1F)CC1CC1 ZINC000649512070 393464816 /nfs/dbraw/zinc/46/48/16/393464816.db2.gz YVFAKNYQCRQGBY-LLVKDONJSA-N -1 3 285.746 3.070 20 0 CGADHM CCC[C@@H](CC)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000488726689 393548662 /nfs/dbraw/zinc/54/86/62/393548662.db2.gz PAGFSEBRBVOTFG-SNVBAGLBSA-N -1 3 293.791 3.336 20 0 CGADHM CCCC1(C(=O)Nc2ccc([O-])cc2F)CCC1 ZINC000360858891 393600065 /nfs/dbraw/zinc/60/00/65/393600065.db2.gz LJKLPONPOXYKQO-UHFFFAOYSA-N -1 3 251.301 3.440 20 0 CGADHM CCC(CC)CC(=O)N1CCCc2cccc([O-])c21 ZINC000490882536 393658616 /nfs/dbraw/zinc/65/86/16/393658616.db2.gz XIYGTFCHAHDCCC-UHFFFAOYSA-N -1 3 261.365 3.498 20 0 CGADHM Cc1ccc(/C=C/C(=O)Nc2ccc(Cl)cc2[O-])nc1 ZINC000492418771 393731929 /nfs/dbraw/zinc/73/19/29/393731929.db2.gz CLAHZUXPEPKXRF-FNORWQNLSA-N -1 3 288.734 3.401 20 0 CGADHM O=C(/C=C/c1ccsc1)[N-]OCc1ccc(F)cc1 ZINC000492478897 393742376 /nfs/dbraw/zinc/74/23/76/393742376.db2.gz XEQIXJGLTUNCDE-ZZXKWVIFSA-N -1 3 277.320 3.148 20 0 CGADHM COc1cc(C(=O)N[C@@H]2CCC(C)(C)C[C@@H]2C)ccc1[O-] ZINC000443297684 393751192 /nfs/dbraw/zinc/75/11/92/393751192.db2.gz RDNHEBKTEZGWFH-WCQYABFASA-N -1 3 291.391 3.345 20 0 CGADHM Cc1cncc(/C=C/C(=O)Nc2ccc(Cl)cc2[O-])c1 ZINC000492246414 393708328 /nfs/dbraw/zinc/70/83/28/393708328.db2.gz FAASLQHHMOHLDB-GORDUTHDSA-N -1 3 288.734 3.401 20 0 CGADHM COc1cccc(/C=C\C(=O)Nc2ccccc2[O-])c1 ZINC000492282580 393714116 /nfs/dbraw/zinc/71/41/16/393714116.db2.gz IRWHEGTUNWCKMI-KTKRTIGZSA-N -1 3 269.300 3.053 20 0 CGADHM CC[C@@H](CC(F)(F)F)C(=O)Nc1cc(F)ccc1[O-] ZINC000450041223 393967780 /nfs/dbraw/zinc/96/77/80/393967780.db2.gz HWUHSASDCKVYJW-ZETCQYMHSA-N -1 3 279.233 3.448 20 0 CGADHM CCC[C@@H](OC)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000450092238 393975734 /nfs/dbraw/zinc/97/57/34/393975734.db2.gz WCNKKSXCJKZFCO-LLVKDONJSA-N -1 3 291.269 3.165 20 0 CGADHM CC[C@H](CC(F)(F)F)C(=O)Nc1nc(C)ccc1[O-] ZINC000450531150 394011683 /nfs/dbraw/zinc/01/16/83/394011683.db2.gz HDHHKPWLDCJTOK-MRVPVSSYSA-N -1 3 276.258 3.013 20 0 CGADHM CC[C@H]([N-]C(=O)C1(C(F)(F)F)CCC1)C(F)(F)F ZINC000451299629 394044123 /nfs/dbraw/zinc/04/41/23/394044123.db2.gz KIPHUHWUNCICMN-LURJTMIESA-N -1 3 277.208 3.176 20 0 CGADHM CC[C@H]1CCCC[C@@H]1CNC(=O)Cc1ccc([O-])c(F)c1 ZINC000452423600 394059220 /nfs/dbraw/zinc/05/92/20/394059220.db2.gz POZSACGFNAKVPJ-UONOGXRCSA-N -1 3 293.382 3.406 20 0 CGADHM Cc1cccc(C(=O)N2C[C@H]3[C@@H]4CC[C@@H](C4)[C@@]3(C)C2)c1[O-] ZINC000456999246 394308338 /nfs/dbraw/zinc/30/83/38/394308338.db2.gz XLHMFIIEXKWYBD-VAGZCVSGSA-N -1 3 285.387 3.209 20 0 CGADHM O=C(Cc1ccc([O-])cc1Cl)N[C@@H](C1CC1)C1CCC1 ZINC000457260467 394338074 /nfs/dbraw/zinc/33/80/74/394338074.db2.gz VUCJIEIBQWYPIF-MRXNPFEDSA-N -1 3 293.794 3.283 20 0 CGADHM CC(C)(O)c1nnc([N-]Cc2cc3ccccc3s2)o1 ZINC000284076253 195975367 /nfs/dbraw/zinc/97/53/67/195975367.db2.gz UYQPBUYDGJMXIM-UHFFFAOYSA-N -1 3 289.360 3.124 20 0 CGADHM CSc1nnc(NC(=O)[C@H]2CC[C@H](C3CCC3)CC2)[n-]1 ZINC000667619227 542898290 /nfs/dbraw/zinc/89/82/90/542898290.db2.gz WNLCZMVDFGRCCE-XYPYZODXSA-N -1 3 294.424 3.072 20 0 CGADHM CSc1n[n-]c(NC(=O)[C@H]2CC[C@H](C3CCC3)CC2)n1 ZINC000667619227 542898291 /nfs/dbraw/zinc/89/82/91/542898291.db2.gz WNLCZMVDFGRCCE-XYPYZODXSA-N -1 3 294.424 3.072 20 0 CGADHM CSc1nc(NC(=O)[C@H]2CC[C@H](C3CCC3)CC2)n[n-]1 ZINC000667619227 542898292 /nfs/dbraw/zinc/89/82/92/542898292.db2.gz WNLCZMVDFGRCCE-XYPYZODXSA-N -1 3 294.424 3.072 20 0 CGADHM CC(C)(C)[C@H](CC(=O)[O-])NCc1nc2c(s1)CCCC2 ZINC000669472197 543108408 /nfs/dbraw/zinc/10/84/08/543108408.db2.gz GVUIMXQXIIBVFL-LBPRGKRZSA-N -1 3 296.436 3.001 20 0 CGADHM O=C(Nc1ccc(C2CC2)cc1)c1cc(F)cc2[n-]nnc21 ZINC000669714708 543121683 /nfs/dbraw/zinc/12/16/83/543121683.db2.gz HKEPGMSJZNKODU-UHFFFAOYSA-N -1 3 296.305 3.227 20 0 CGADHM O=C(Nc1ccc(C2CC2)cc1)c1cc(F)cc2nn[n-]c21 ZINC000669714708 543121686 /nfs/dbraw/zinc/12/16/86/543121686.db2.gz HKEPGMSJZNKODU-UHFFFAOYSA-N -1 3 296.305 3.227 20 0 CGADHM O=C(Nc1ccc(C2CC2)cc1)c1cc(F)cc2n[n-]nc21 ZINC000669714708 543121687 /nfs/dbraw/zinc/12/16/87/543121687.db2.gz HKEPGMSJZNKODU-UHFFFAOYSA-N -1 3 296.305 3.227 20 0 CGADHM O=C([N-]c1cnoc1)c1c(Cl)cccc1Cl ZINC000673835262 543256198 /nfs/dbraw/zinc/25/61/98/543256198.db2.gz ODAHHXYZGBDSSI-UHFFFAOYSA-N -1 3 257.076 3.234 20 0 CGADHM Cc1noc([N-]C(=O)COc2cc(C)ccc2Cl)c1C ZINC000673940348 543260439 /nfs/dbraw/zinc/26/04/39/543260439.db2.gz MIPNDLNVZMQXLP-UHFFFAOYSA-N -1 3 294.738 3.271 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2ccn(-c3ccccc3)n2)c1 ZINC000105713060 397651281 /nfs/dbraw/zinc/65/12/81/397651281.db2.gz FBPMCGOSYKXXCT-UHFFFAOYSA-N -1 3 293.326 3.139 20 0 CGADHM Cc1ccc(-c2nc(=O)c3c4c(sc3[n-]2)CCCC4)o1 ZINC000046703241 397629749 /nfs/dbraw/zinc/62/97/49/397629749.db2.gz RMRSWNAWFBNBCY-UHFFFAOYSA-N -1 3 286.356 3.432 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N2CCc3ccccc3[C@@H](C)C2)n1 ZINC000649836029 397735629 /nfs/dbraw/zinc/73/56/29/397735629.db2.gz YJZDZWVHEATDLN-JSGCOSHPSA-N -1 3 297.402 3.213 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)CCn2cccc2)c1[O-] ZINC000674327047 543281379 /nfs/dbraw/zinc/28/13/79/543281379.db2.gz XNARQWUMAHCUPD-UHFFFAOYSA-N -1 3 278.739 3.184 20 0 CGADHM C[C@@H]1CC[C@H](C(=O)[O-])N1Cc1cc(Cl)cc(Cl)c1 ZINC000650793625 397920118 /nfs/dbraw/zinc/92/01/18/397920118.db2.gz DXRYLQTZLVHIRS-PRHODGIISA-N -1 3 288.174 3.431 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CCC[C@@H]3CCC[C@H]32)c1 ZINC000087777539 292163024 /nfs/dbraw/zinc/16/30/24/292163024.db2.gz DSAWQFAQVHTZCR-GXTWGEPZSA-N -1 3 259.349 3.105 20 0 CGADHM CCC[C@H]1CCc2nc([N-]C(=O)c3cnco3)sc2C1 ZINC000677529681 543454019 /nfs/dbraw/zinc/45/40/19/543454019.db2.gz VYCHSZMOOQXBQC-VIFPVBQESA-N -1 3 291.376 3.288 20 0 CGADHM COc1ccc(C(=O)N2CCCC[C@@H]2CC(C)C)c([O-])c1 ZINC000163034472 286273297 /nfs/dbraw/zinc/27/32/97/286273297.db2.gz VDUMZYDKTAMSBH-CYBMUJFWSA-N -1 3 291.391 3.442 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2ccc(Cl)c(F)c2)n1 ZINC000555465346 289346502 /nfs/dbraw/zinc/34/65/02/289346502.db2.gz FBYNIHMLEGFFIB-HYXAFXHYSA-N -1 3 264.687 3.454 20 0 CGADHM Cc1cccc(CN(C)C(=O)c2cccc(C)c2[O-])c1 ZINC000042355239 286894024 /nfs/dbraw/zinc/89/40/24/286894024.db2.gz RNGGXNGAQWLODF-UHFFFAOYSA-N -1 3 269.344 3.281 20 0 CGADHM CCCC1CCC(NC(=O)c2cccc([O-])c2)CC1 ZINC000049548065 286927420 /nfs/dbraw/zinc/92/74/20/286927420.db2.gz HNZNHVPSXYXRDU-UHFFFAOYSA-N -1 3 261.365 3.481 20 0 CGADHM Cc1cccc(C(=O)N2CCC3(CCCC3)CC2)c1[O-] ZINC000062959697 286961637 /nfs/dbraw/zinc/96/16/37/286961637.db2.gz ADRFHBMSDMQXSS-UHFFFAOYSA-N -1 3 273.376 3.497 20 0 CGADHM C[C@@H](c1ccccc1F)N(C)C(=O)c1ccccc1[O-] ZINC000063240157 286962958 /nfs/dbraw/zinc/96/29/58/286962958.db2.gz YPFNBVJVWVPSBV-NSHDSACASA-N -1 3 273.307 3.365 20 0 CGADHM CC[C@]1(C)CCCN(C(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000074373176 287012232 /nfs/dbraw/zinc/01/22/32/287012232.db2.gz FDWPRNGGWMUWTI-MRXNPFEDSA-N -1 3 294.370 3.253 20 0 CGADHM CO[C@H](C(=O)Nc1cc(Cl)ccc1[O-])c1ccccc1 ZINC000067139156 165036975 /nfs/dbraw/zinc/03/69/75/165036975.db2.gz PLRRYFXGGIGUHA-AWEZNQCLSA-N -1 3 291.734 3.372 20 0 CGADHM Cc1cccc(C(=O)Nc2n[n-]c(-c3ccccc3F)n2)c1 ZINC000076686971 165117404 /nfs/dbraw/zinc/11/74/04/165117404.db2.gz ZFBGUGDRRAXAQZ-UHFFFAOYSA-N -1 3 296.305 3.172 20 0 CGADHM O=C(Nc1ccc([O-])cc1F)[C@H]1CSc2ccccc21 ZINC000092238523 165285920 /nfs/dbraw/zinc/28/59/20/165285920.db2.gz XQGWYGOLFGIQCH-NSHDSACASA-N -1 3 289.331 3.359 20 0 CGADHM CCOC(=O)c1ccc(NC(=O)C2(CC)CCC2)c([O-])c1 ZINC000092551975 165303649 /nfs/dbraw/zinc/30/36/49/165303649.db2.gz HRWINXJROPYBPI-UHFFFAOYSA-N -1 3 291.347 3.088 20 0 CGADHM CCc1ccc([O-])c(C(=O)N(C)[C@H](C)c2cccnc2)c1 ZINC000094067941 165343994 /nfs/dbraw/zinc/34/39/94/165343994.db2.gz ICFMVHQASKTSAP-GFCCVEGCSA-N -1 3 284.359 3.183 20 0 CGADHM COc1cccc(-c2nc(-c3ccccc3OC)no2)c1[O-] ZINC000109037275 287127574 /nfs/dbraw/zinc/12/75/74/287127574.db2.gz UHOZZRQNPHLKNK-UHFFFAOYSA-N -1 3 298.298 3.126 20 0 CGADHM Cc1ccc([O-])c(-c2nc(COc3ccccc3)no2)c1 ZINC000109037580 287127635 /nfs/dbraw/zinc/12/76/35/287127635.db2.gz NZFPMZMDDAAPCE-UHFFFAOYSA-N -1 3 282.299 3.330 20 0 CGADHM O=C(c1ccccc1[O-])N(Cc1ccc(F)cc1)C1CC1 ZINC000120635445 287184851 /nfs/dbraw/zinc/18/48/51/287184851.db2.gz NBRFXGYQHJMWAE-UHFFFAOYSA-N -1 3 285.318 3.336 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)Sc2cccc(F)c2)n1 ZINC000121812963 287203657 /nfs/dbraw/zinc/20/36/57/287203657.db2.gz IFPLURDCXDJTEY-SECBINFHSA-N -1 3 264.325 3.483 20 0 CGADHM C[C@@H]1CC(C)(C)CN1C(=O)c1cc([O-])ccc1Cl ZINC000412769339 287216707 /nfs/dbraw/zinc/21/67/07/287216707.db2.gz RUJTVADPVRUFIF-SECBINFHSA-N -1 3 267.756 3.306 20 0 CGADHM O=C([O-])c1ccc(CNCc2ccc(Cl)cc2)s1 ZINC000006806448 170245176 /nfs/dbraw/zinc/24/51/76/170245176.db2.gz FYXONSPITJNVFE-UHFFFAOYSA-N -1 3 281.764 3.390 20 0 CGADHM C[C@H](c1ccc(Cl)cc1)N1CCC[C@H](C(=O)[O-])C1 ZINC000006824241 170247084 /nfs/dbraw/zinc/24/70/84/170247084.db2.gz FMJMEJQBWFHWIN-PWSUYJOCSA-N -1 3 267.756 3.198 20 0 CGADHM Cc1ccc(NC(=O)CCc2ccccc2F)c([O-])c1 ZINC000008304883 170329898 /nfs/dbraw/zinc/32/98/98/170329898.db2.gz ONABRLZJNNIZAQ-UHFFFAOYSA-N -1 3 273.307 3.411 20 0 CGADHM CC(C)CC(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000125258019 287241675 /nfs/dbraw/zinc/24/16/75/287241675.db2.gz WKCJVZOQTPLZOS-UHFFFAOYSA-N -1 3 261.243 3.396 20 0 CGADHM CC[C@@H](C)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000125372213 287243664 /nfs/dbraw/zinc/24/36/64/287243664.db2.gz KQJIZMGWIBBSFI-SSDOTTSWSA-N -1 3 261.243 3.396 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CC[C@H](Cc3ccccc3)C2)c1 ZINC000126058899 287256822 /nfs/dbraw/zinc/25/68/22/287256822.db2.gz PVMPOUOBPOFQQR-MRXNPFEDSA-N -1 3 295.382 3.405 20 0 CGADHM Cc1ccc(C(=O)N2CC[C@H]3CCCC[C@@H]3C2)c([O-])c1 ZINC000035175086 172028612 /nfs/dbraw/zinc/02/86/12/172028612.db2.gz IWGYXISWBUABDX-ZIAGYGMSSA-N -1 3 273.376 3.353 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CCC[C@H]3CCCC[C@@H]32)c1 ZINC000035219098 172059638 /nfs/dbraw/zinc/05/96/38/172059638.db2.gz IUMMCYFACDVYDF-HIFRSBDPSA-N -1 3 273.376 3.495 20 0 CGADHM CCCc1cc(=O)[n-]c(C(=Cc2c(C)cnn2C)CC)n1 ZINC000285101995 196197692 /nfs/dbraw/zinc/19/76/92/196197692.db2.gz MGBJOCBKHJBTRZ-XYOKQWHBSA-N -1 3 286.379 3.127 20 0 CGADHM CCCCn1ncc(NC(=O)c2ccc(C)cc2[O-])c1C ZINC000127332724 287285822 /nfs/dbraw/zinc/28/58/22/287285822.db2.gz QEVLKMRPBJMENG-UHFFFAOYSA-N -1 3 287.363 3.258 20 0 CGADHM COc1cccc(Cl)c1C(=O)Nc1ccccc1[O-] ZINC000127491820 287288960 /nfs/dbraw/zinc/28/89/60/287288960.db2.gz DULUFDDRMBTFSQ-UHFFFAOYSA-N -1 3 277.707 3.307 20 0 CGADHM CCC(CC)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000736345807 572783898 /nfs/dbraw/zinc/78/38/98/572783898.db2.gz LSPZNJPCMQPKAX-UHFFFAOYSA-N -1 3 265.748 3.121 20 0 CGADHM COc1cccc(/C=C/C(=O)Nc2cccc([O-])c2F)c1 ZINC000128321855 287308639 /nfs/dbraw/zinc/30/86/39/287308639.db2.gz WGSZYRUFUQHPNV-CMDGGOBGSA-N -1 3 287.290 3.192 20 0 CGADHM CCO[C@@H](C(=O)Nc1cccc([O-])c1F)c1ccccc1 ZINC000128592100 287314308 /nfs/dbraw/zinc/31/43/08/287314308.db2.gz XSDIKOBFEYWUSM-OAHLLOKOSA-N -1 3 289.306 3.248 20 0 CGADHM CCC[C@@H](C)NC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000049179948 416467813 /nfs/dbraw/zinc/46/78/13/416467813.db2.gz IXEHUBFGFWBITP-LLVKDONJSA-N -1 3 261.365 3.189 20 0 CGADHM C[C@H](NCC1CCC(C)CC1)c1ncc(C(=O)[O-])s1 ZINC000315255286 416538155 /nfs/dbraw/zinc/53/81/55/416538155.db2.gz BJJUUZUXNIMKOZ-YVNMAJEFSA-N -1 3 282.409 3.318 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CC(Cc3ccccc3)C2)c1 ZINC000679347356 543624761 /nfs/dbraw/zinc/62/47/61/543624761.db2.gz UZDPTUOWZMBHCW-UHFFFAOYSA-N -1 3 295.382 3.269 20 0 CGADHM CC1(C)CN(C(=O)c2cccc([O-])c2)c2ccccc21 ZINC000679637730 543652179 /nfs/dbraw/zinc/65/21/79/543652179.db2.gz MWCIFRXZGZFBMU-UHFFFAOYSA-N -1 3 267.328 3.330 20 0 CGADHM O=C(c1c([O-])cccc1O)N1CCC2(CCCCC2)CC1 ZINC000092120749 304479221 /nfs/dbraw/zinc/47/92/21/304479221.db2.gz ZSNNEZRFRLISFZ-UHFFFAOYSA-N -1 3 289.375 3.284 20 0 CGADHM CC(C)CCN(C)C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000680424265 543710181 /nfs/dbraw/zinc/71/01/81/543710181.db2.gz KATAUYASXKHKCM-UHFFFAOYSA-N -1 3 275.392 3.389 20 0 CGADHM O=C(c1ccc2c(c1[O-])CCCC2)N1CCC[C@@H]1C1CC1 ZINC000680433227 543711186 /nfs/dbraw/zinc/71/11/86/543711186.db2.gz QTXPSIHALZKSIK-MRXNPFEDSA-N -1 3 285.387 3.286 20 0 CGADHM Cc1c(Br)scc1C(=O)[N-]c1cnoc1 ZINC000681252060 543777876 /nfs/dbraw/zinc/77/78/76/543777876.db2.gz FCUXBKRQXCJIEB-UHFFFAOYSA-N -1 3 287.138 3.059 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)c2nccs2)c1[O-] ZINC000683549848 543923888 /nfs/dbraw/zinc/92/38/88/543923888.db2.gz IAXLWMJFWZLCJZ-UHFFFAOYSA-N -1 3 268.725 3.063 20 0 CGADHM O=C([O-])c1cccc(CNCc2cccc3[nH]ccc32)c1 ZINC000683170575 543900650 /nfs/dbraw/zinc/90/06/50/543900650.db2.gz AZVFUIVXFPLXIK-UHFFFAOYSA-N -1 3 280.327 3.156 20 0 CGADHM CCCn1c(=O)[n-]nc1S[C@@H]1CCc2ccccc21 ZINC000683736985 543936993 /nfs/dbraw/zinc/93/69/93/543936993.db2.gz IVPQMUDPANIVPX-GFCCVEGCSA-N -1 3 275.377 3.173 20 0 CGADHM CC(=O)Nc1ccc(C)c(NC(=O)c2cc(C)ccc2[O-])c1 ZINC000132203042 287399331 /nfs/dbraw/zinc/39/93/31/287399331.db2.gz ADGLLCYOEKJNGI-UHFFFAOYSA-N -1 3 298.342 3.220 20 0 CGADHM O=C(c1cccc([O-])c1)N1CCCCc2sccc21 ZINC000684784720 544029622 /nfs/dbraw/zinc/02/96/22/544029622.db2.gz RZOUNOHONRJYBE-UHFFFAOYSA-N -1 3 273.357 3.437 20 0 CGADHM O=C([C@@H]1Cc2ccc(F)cc21)N1CCCc2cccc([O-])c21 ZINC000684469814 544005871 /nfs/dbraw/zinc/00/58/71/544005871.db2.gz LPVNWCPIEDLGJE-OAHLLOKOSA-N -1 3 297.329 3.150 20 0 CGADHM CCOc1ccccc1[C@H](CC)NCc1ncccc1[O-] ZINC000685422109 544067429 /nfs/dbraw/zinc/06/74/29/544067429.db2.gz YEUYLYSETNYTPR-AWEZNQCLSA-N -1 3 286.375 3.427 20 0 CGADHM O=C([N-]c1ccc(Cl)c(F)c1)c1nc(C2CCC2)no1 ZINC000685681468 544094694 /nfs/dbraw/zinc/09/46/94/544094694.db2.gz FSTWBWXWHSQWPE-UHFFFAOYSA-N -1 3 295.701 3.382 20 0 CGADHM Cc1ccc(CCC(=O)Nc2cc(F)ccc2[O-])s1 ZINC000354920363 227235772 /nfs/dbraw/zinc/23/57/72/227235772.db2.gz NRYYIOPGENFXHY-UHFFFAOYSA-N -1 3 279.336 3.473 20 0 CGADHM O=C([O-])[C@@H](c1ccsc1)N1CCCc2sccc2C1 ZINC000652410985 418964309 /nfs/dbraw/zinc/96/43/09/418964309.db2.gz PVHBBZQWKHUSRR-CYBMUJFWSA-N -1 3 293.413 3.384 20 0 CGADHM CCCC[C@@](C)(F)c1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000664876218 419018395 /nfs/dbraw/zinc/01/83/95/419018395.db2.gz DYJLENRQFVZIOQ-CQSZACIVSA-N -1 3 289.314 3.383 20 0 CGADHM C[C@@H](C(=O)Nc1c([O-])cccc1Cl)N1[C@H](C)CC[C@H]1C ZINC000655110638 419021851 /nfs/dbraw/zinc/02/18/51/419021851.db2.gz HSDATJOPCZEAKX-MXWKQRLJSA-N -1 3 296.798 3.245 20 0 CGADHM CC(C)Oc1ccccc1CN1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000652496864 418977144 /nfs/dbraw/zinc/97/71/44/418977144.db2.gz FTCWRPZMBJSZFH-HIFRSBDPSA-N -1 3 291.391 3.016 20 0 CGADHM O=C([O-])c1ccc2c(c1)CN([C@@H]1CCc3ccccc31)C2 ZINC000659790741 418991827 /nfs/dbraw/zinc/99/18/27/418991827.db2.gz HVJSZIMHGUWVNB-QGZVFWFLSA-N -1 3 279.339 3.388 20 0 CGADHM CC(=O)c1ccc(C(=O)N2CCC3(CCC3)CC2)cc1[O-] ZINC000665509993 419134303 /nfs/dbraw/zinc/13/43/03/419134303.db2.gz SPKOKQBBXGATTP-UHFFFAOYSA-N -1 3 287.359 3.001 20 0 CGADHM C[C@H](NCc1ccc(Cl)o1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656099446 419140345 /nfs/dbraw/zinc/14/03/45/419140345.db2.gz RKERLARPPABLQA-INTQDDNPSA-N -1 3 285.771 3.158 20 0 CGADHM CC[C@@H]([N-]c1nc(C2CCC2)no1)[C@@H]1CCCCO1 ZINC000656228080 419156093 /nfs/dbraw/zinc/15/60/93/419156093.db2.gz VETHRXMTRIRSQC-NEPJUHHUSA-N -1 3 265.357 3.097 20 0 CGADHM CCN(C(=O)c1ccc2[nH][n-]c(=O)c2c1)C1CCCCC1 ZINC000666038602 419182382 /nfs/dbraw/zinc/18/23/82/419182382.db2.gz UVNARGILTQUNSN-UHFFFAOYSA-N -1 3 287.363 3.063 20 0 CGADHM CCCC[C@H](NCc1cccc(OC2CC2)c1F)C(=O)[O-] ZINC000656565339 419183550 /nfs/dbraw/zinc/18/35/50/419183550.db2.gz LDCDBGYPXBHCRN-ZDUSSCGKSA-N -1 3 295.354 3.100 20 0 CGADHM Cn1ncc(C2CC2)c1C=Cc1cc(=O)[n-]c(C(C)(C)C)n1 ZINC000656613688 419186454 /nfs/dbraw/zinc/18/64/54/419186454.db2.gz NWYINILRZMLAOP-FPLPWBNLSA-N -1 3 298.390 3.261 20 0 CGADHM CCC[C@H](C)N(C)C(=O)c1cc(SC)ccc1[O-] ZINC000666352149 419209956 /nfs/dbraw/zinc/20/99/56/419209956.db2.gz PDLGCTUOYXNYIT-JTQLQIEISA-N -1 3 267.394 3.375 20 0 CGADHM O=C([O-])c1cccc(CN2CCCc3sccc3C2)c1 ZINC000666573398 419227019 /nfs/dbraw/zinc/22/70/19/419227019.db2.gz IVZAVGTYYLUCAQ-UHFFFAOYSA-N -1 3 287.384 3.395 20 0 CGADHM CC1C[C@H]2CC[C@@H](C1)N2Cc1nc(=O)c2sccc2[n-]1 ZINC000662131831 419341310 /nfs/dbraw/zinc/34/13/10/419341310.db2.gz UQBLSULNARXTCN-FGWVZKOKSA-N -1 3 289.404 3.160 20 0 CGADHM COc1cccc(CN2CCC[C@@H](CC(=O)[O-])C2)c1Cl ZINC000662199718 419359871 /nfs/dbraw/zinc/35/98/71/419359871.db2.gz CHGJFDXKZRZXTE-NSHDSACASA-N -1 3 297.782 3.035 20 0 CGADHM [O-]c1ccccc1-c1nc(-c2ccc3c(c2)CCO3)no1 ZINC000184880690 287549110 /nfs/dbraw/zinc/54/91/10/287549110.db2.gz DRLHLMLAGPZPQN-UHFFFAOYSA-N -1 3 280.283 3.044 20 0 CGADHM CCc1cc(=O)[n-]c(CN[C@]2(c3ccccc3)CC2(C)C)n1 ZINC000662344680 419397766 /nfs/dbraw/zinc/39/77/66/419397766.db2.gz ZYKPREVEAZBRJT-SFHVURJKSA-N -1 3 297.402 3.160 20 0 CGADHM C[C@@H]1CCN(C(=O)c2cc3c(cc2[O-])CCCC3)C[C@@H]1C ZINC000436960327 287565671 /nfs/dbraw/zinc/56/56/71/287565671.db2.gz GZJFTENHITUAOP-OLZOCXBDSA-N -1 3 287.403 3.389 20 0 CGADHM CSCCCCNc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000737181855 572865078 /nfs/dbraw/zinc/86/50/78/572865078.db2.gz KKUWZZIYXIAEBS-UHFFFAOYSA-N -1 3 297.815 3.075 20 0 CGADHM CSCCCCNc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000737181855 572865079 /nfs/dbraw/zinc/86/50/79/572865079.db2.gz KKUWZZIYXIAEBS-UHFFFAOYSA-N -1 3 297.815 3.075 20 0 CGADHM CSCC[C@H](C)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737180037 572865086 /nfs/dbraw/zinc/86/50/86/572865086.db2.gz ANVSPRWRGKUIKO-QMMMGPOBSA-N -1 3 297.815 3.074 20 0 CGADHM CSCC[C@H](C)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737180037 572865089 /nfs/dbraw/zinc/86/50/89/572865089.db2.gz ANVSPRWRGKUIKO-QMMMGPOBSA-N -1 3 297.815 3.074 20 0 CGADHM Cc1cc(Cl)ccc1NC(=O)/C=C/c1cncc([O-])c1 ZINC000179397767 260047441 /nfs/dbraw/zinc/04/74/41/260047441.db2.gz OQRHVOCRSKIMFO-GORDUTHDSA-N -1 3 288.734 3.401 20 0 CGADHM O=C(NCCCc1ccc(Cl)cc1)c1cccc([O-])c1 ZINC000182274857 262278443 /nfs/dbraw/zinc/27/84/43/262278443.db2.gz HZXFPHSTQIDRMK-UHFFFAOYSA-N -1 3 289.762 3.408 20 0 CGADHM CC(C)(C)c1cnc(SCc2ncccc2[O-])o1 ZINC000580516286 335085523 /nfs/dbraw/zinc/08/55/23/335085523.db2.gz IKIUAQPZOAVROV-UHFFFAOYSA-N -1 3 264.350 3.365 20 0 CGADHM Cc1cccc(C(=O)N[C@H](C)CCc2ccccc2)c1[O-] ZINC000044285657 270035193 /nfs/dbraw/zinc/03/51/93/270035193.db2.gz VCNRPRSLMKJGAB-CQSZACIVSA-N -1 3 283.371 3.452 20 0 CGADHM COc1cc(C)c([N-]S(=O)(=O)c2ccccc2)cc1C ZINC000074983398 270042258 /nfs/dbraw/zinc/04/22/58/270042258.db2.gz FYMJVJIZSPZALF-UHFFFAOYSA-N -1 3 291.372 3.113 20 0 CGADHM CC[C@]1(C)C[C@H]1C(=O)N1CCCc2cccc([O-])c21 ZINC000182911968 270054311 /nfs/dbraw/zinc/05/43/11/270054311.db2.gz PJKVXVXMLPMAOF-BLLLJJGKSA-N -1 3 259.349 3.108 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CCCc3cccc(O)c32)c1 ZINC000182908315 270054380 /nfs/dbraw/zinc/05/43/80/270054380.db2.gz ZQTSRTDYLCSTRM-UHFFFAOYSA-N -1 3 297.354 3.253 20 0 CGADHM CC(C)(CNC(=O)c1cccc([O-])c1)C1CCCC1 ZINC000182895594 270054512 /nfs/dbraw/zinc/05/45/12/270054512.db2.gz MLIDTSMZQGOLAJ-UHFFFAOYSA-N -1 3 261.365 3.338 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CCc3c2cccc3F)c1 ZINC000184289717 270057953 /nfs/dbraw/zinc/05/79/53/270057953.db2.gz VHHFEBCFEWGWTN-UHFFFAOYSA-N -1 3 285.318 3.297 20 0 CGADHM C[S@@](=O)c1ccc(NCc2cc([O-])cc(F)c2)cc1F ZINC000185599291 270063531 /nfs/dbraw/zinc/06/35/31/270063531.db2.gz TWFJBXSZJARDNY-HXUWFJFHSA-N -1 3 297.326 3.020 20 0 CGADHM CC(C)=CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000190245306 270073345 /nfs/dbraw/zinc/07/33/45/270073345.db2.gz WXPAPBZELSCPJA-UHFFFAOYSA-N -1 3 294.203 3.238 20 0 CGADHM CCC[C@H]1CCCCN1C(=O)c1cc(C)ccc1[O-] ZINC000213407316 270085015 /nfs/dbraw/zinc/08/50/15/270085015.db2.gz WGAUEFUYULROMZ-ZDUSSCGKSA-N -1 3 261.365 3.495 20 0 CGADHM CCCOc1ccc(NC(=O)c2c([O-])cccc2O)cc1 ZINC000220260127 270085723 /nfs/dbraw/zinc/08/57/23/270085723.db2.gz MROXLZKMROTGIF-UHFFFAOYSA-N -1 3 287.315 3.139 20 0 CGADHM Cc1ccc(NC(=O)/C=C/c2cncc([O-])c2)cc1C ZINC000179381267 265752859 /nfs/dbraw/zinc/75/28/59/265752859.db2.gz KHCOMWIGBDZWKJ-GQCTYLIASA-N -1 3 268.316 3.056 20 0 CGADHM CC(C)c1ccc(NC(=O)c2c([O-])cccc2O)cc1 ZINC000228854367 270088278 /nfs/dbraw/zinc/08/82/78/270088278.db2.gz ANIQOGWYXDDLMM-UHFFFAOYSA-N -1 3 271.316 3.474 20 0 CGADHM COc1cc(-c2noc(-c3cc(C)ccc3[O-])n2)ccc1O ZINC000315695640 270092522 /nfs/dbraw/zinc/09/25/22/270092522.db2.gz OCCIYLYEOXHKKJ-UHFFFAOYSA-N -1 3 298.298 3.132 20 0 CGADHM CC1CCN(Cc2cccc([O-])c2Br)CC1 ZINC000315887056 270092730 /nfs/dbraw/zinc/09/27/30/270092730.db2.gz BDHQEHKNXISCSM-UHFFFAOYSA-N -1 3 284.197 3.387 20 0 CGADHM CCc1cccc(C(=O)N2CC(C3CCCC3)C2)c1[O-] ZINC000527018111 270124473 /nfs/dbraw/zinc/12/44/73/270124473.db2.gz VSPPTWQVVBQDGL-UHFFFAOYSA-N -1 3 273.376 3.217 20 0 CGADHM CCC(C)(C)NC(=O)c1cc([O-])cc(Br)c1 ZINC000527799160 270136659 /nfs/dbraw/zinc/13/66/59/270136659.db2.gz JIBPZEKDKFGLPL-UHFFFAOYSA-N -1 3 286.169 3.073 20 0 CGADHM CC[C@@H](CCc1ccccc1)Nc1cc(Cl)c(=O)[n-]n1 ZINC000528127192 270155062 /nfs/dbraw/zinc/15/50/62/270155062.db2.gz RJKOHNUGYNSTQF-LBPRGKRZSA-N -1 3 291.782 3.081 20 0 CGADHM C[C@@H]1[C@@H](c2nc(-c3ccc([O-])cc3)no2)[C@H]1C1CC1 ZINC000528156112 270156019 /nfs/dbraw/zinc/15/60/19/270156019.db2.gz MDUKKDTXYRAYRP-ZEGGKSINSA-N -1 3 256.305 3.202 20 0 CGADHM CCc1ccc([O-])c(-c2nc([C@@H]3CC[C@H](C)O3)no2)c1 ZINC000528234244 270159002 /nfs/dbraw/zinc/15/90/02/270159002.db2.gz IBDLOUBDDXXEME-ZANVPECISA-N -1 3 274.320 3.245 20 0 CGADHM CCc1cc(C(=O)NC[C@@H]2CC[C@@H]3C[C@@H]3C2)ccc1[O-] ZINC000529577815 270185589 /nfs/dbraw/zinc/18/55/89/270185589.db2.gz MPHZTCIPJSFBII-KYOSRNDESA-N -1 3 273.376 3.121 20 0 CGADHM CCC(NC(=O)c1cccc([O-])c1)(C1CC1)C1CC1 ZINC000529794161 270188606 /nfs/dbraw/zinc/18/86/06/270188606.db2.gz VHJSDEVUJQVPMQ-UHFFFAOYSA-N -1 3 259.349 3.091 20 0 CGADHM O=C(NCC[C@H]1CC=CCC1)c1cc(=O)c2ccccc2[n-]1 ZINC000529872758 270190676 /nfs/dbraw/zinc/19/06/76/270190676.db2.gz XCTBIWGQJNKJLY-ZDUSSCGKSA-N -1 3 296.370 3.004 20 0 CGADHM Cc1ccc(CCCN2CCc3occc3[C@@H]2C(=O)[O-])cc1 ZINC000530167719 270195194 /nfs/dbraw/zinc/19/51/94/270195194.db2.gz YWMCWZGMBLYRKD-QGZVFWFLSA-N -1 3 299.370 3.205 20 0 CGADHM O=C([O-])[C@H]1c2ccoc2CCN1CCC1=CCCCC1 ZINC000530166045 270195528 /nfs/dbraw/zinc/19/55/28/270195528.db2.gz WQTDJYHDTYREFV-OAHLLOKOSA-N -1 3 275.348 3.154 20 0 CGADHM O=C([O-])c1ccc(CN[C@H](c2ccccn2)C2CCC2)cc1 ZINC000530252203 270197697 /nfs/dbraw/zinc/19/76/97/270197697.db2.gz KGZCMBJPHHXTRI-KRWDZBQOSA-N -1 3 296.370 3.411 20 0 CGADHM COc1cc(-c2nc3ccc(F)cc3c(=O)[n-]2)ccc1C ZINC000533176882 270221791 /nfs/dbraw/zinc/22/17/91/270221791.db2.gz FJRBWQYQVVWUIJ-UHFFFAOYSA-N -1 3 284.290 3.459 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2C[C@H](C)[C@@H]3CCCC[C@H]32)c1 ZINC000248384231 287761517 /nfs/dbraw/zinc/76/15/17/287761517.db2.gz DEASOXAQHSXGES-KCQAQPDRSA-N -1 3 273.376 3.351 20 0 CGADHM Cc1ccc(/C=C\C(=O)Nc2ccc(C)cc2[O-])o1 ZINC000255173595 287860149 /nfs/dbraw/zinc/86/01/49/287860149.db2.gz LJAMWMQISMDRHR-VURMDHGXSA-N -1 3 257.289 3.254 20 0 CGADHM CC(F)(F)C(=O)[N-][C@@H]1CCCOc2cc(Cl)ccc21 ZINC000289186391 276093996 /nfs/dbraw/zinc/09/39/96/276093996.db2.gz KGMJWIVMRDQHAR-SNVBAGLBSA-N -1 3 289.709 3.325 20 0 CGADHM CC1(CC(=O)Nc2nnc(C(F)(F)F)[n-]2)CCCCC1 ZINC000124847893 276166775 /nfs/dbraw/zinc/16/67/75/276166775.db2.gz KZRVXERXHHYVGS-UHFFFAOYSA-N -1 3 290.289 3.123 20 0 CGADHM CC1(CC(=O)Nc2nc(C(F)(F)F)n[n-]2)CCCCC1 ZINC000124847893 276166776 /nfs/dbraw/zinc/16/67/76/276166776.db2.gz KZRVXERXHHYVGS-UHFFFAOYSA-N -1 3 290.289 3.123 20 0 CGADHM C[C@H](CCNCc1cc(Cl)ccc1F)CC(=O)[O-] ZINC000277534458 287898543 /nfs/dbraw/zinc/89/85/43/287898543.db2.gz ZHJKBQCBVWLAOC-SECBINFHSA-N -1 3 273.735 3.070 20 0 CGADHM CC[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(C)cc2F)C1 ZINC000303898161 287935321 /nfs/dbraw/zinc/93/53/21/287935321.db2.gz SLKPYYIFOPMZTI-STQMWFEESA-N -1 3 299.411 3.381 20 0 CGADHM COc1cccc(-c2noc(-c3ccc([O-])cc3)n2)c1 ZINC000045894300 278006292 /nfs/dbraw/zinc/00/62/92/278006292.db2.gz ADWYLZJCPOBNDJ-UHFFFAOYSA-N -1 3 268.272 3.118 20 0 CGADHM CC(C)c1n[n-]c(=NC(C)(C)C)n1CCc1ccccc1 ZINC000463088538 278068362 /nfs/dbraw/zinc/06/83/62/278068362.db2.gz OAQXICHEEGKTAF-UHFFFAOYSA-N -1 3 286.423 3.277 20 0 CGADHM CC(C)C1(c2ccccc2)CN(C(=O)c2ccccc2[O-])C1 ZINC000412789486 288057222 /nfs/dbraw/zinc/05/72/22/288057222.db2.gz AXERPXWZBWSZAT-UHFFFAOYSA-N -1 3 295.382 3.442 20 0 CGADHM CC[C@H](NC(=O)c1ccc(C(C)C)cc1[O-])c1ncc[nH]1 ZINC000443134740 288070298 /nfs/dbraw/zinc/07/02/98/288070298.db2.gz OTPHJYQWRMWOIZ-ZDUSSCGKSA-N -1 3 287.363 3.120 20 0 CGADHM Cc1ccc(C(=O)N2CC[C@H](C3CCCC3)C2)c([O-])c1 ZINC000421649068 280771061 /nfs/dbraw/zinc/77/10/61/280771061.db2.gz CKUIGHWAKUUMSU-AWEZNQCLSA-N -1 3 273.376 3.353 20 0 CGADHM C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)N1Cc1sccc1Cl ZINC000530174552 288293593 /nfs/dbraw/zinc/29/35/93/288293593.db2.gz LOBQTGBIYHZYMZ-ILWJIGKKSA-N -1 3 287.812 3.475 20 0 CGADHM C[C@@H]1CC(C(=O)[O-])C[C@@H](C)N1Cc1ccccc1Cl ZINC000530174575 288293649 /nfs/dbraw/zinc/29/36/49/288293649.db2.gz LWRUIDRQSMALOA-GHMZBOCLSA-N -1 3 281.783 3.414 20 0 CGADHM COc1ccc([O-])c(C(=O)N[C@@H](C)[C@@H](C)c2ccccc2)c1 ZINC000530847957 288318011 /nfs/dbraw/zinc/31/80/11/288318011.db2.gz UZKMJBXAJMWXIZ-OLZOCXBDSA-N -1 3 299.370 3.323 20 0 CGADHM Cc1ccc(C(=O)Nc2cccc3c2ccn3C)c([O-])c1 ZINC000535796133 288463529 /nfs/dbraw/zinc/46/35/29/288463529.db2.gz GYKNOIKKSXVFGW-UHFFFAOYSA-N -1 3 280.327 3.445 20 0 CGADHM CCc1cccc(OCC(=O)Nc2c(C)cccc2[O-])c1 ZINC000539815694 288631350 /nfs/dbraw/zinc/63/13/50/288631350.db2.gz USPNZKJMTQRDKP-UHFFFAOYSA-N -1 3 285.343 3.281 20 0 CGADHM O=C(N[C@H](c1ccccc1)C1CCC1)c1csc(=O)[n-]1 ZINC000546016121 288913150 /nfs/dbraw/zinc/91/31/50/288913150.db2.gz VLDGYFRTLRUOIF-CYBMUJFWSA-N -1 3 288.372 3.120 20 0 CGADHM CCC[C@H](C)CC(=O)Nc1ccc(C(=O)OCC)cc1[O-] ZINC000550967528 289093635 /nfs/dbraw/zinc/09/36/35/289093635.db2.gz AGGBNFPXIRNHTL-NSHDSACASA-N -1 3 293.363 3.334 20 0 CGADHM CCc1cccc(-c2nc(-c3ccco3)no2)c1[O-] ZINC000551413246 289115214 /nfs/dbraw/zinc/11/52/14/289115214.db2.gz TZBPLLOSHOUBES-UHFFFAOYSA-N -1 3 256.261 3.265 20 0 CGADHM Cc1cccc(C(=O)Nc2ccc3oc(CO)cc3c2)c1[O-] ZINC000552424704 289188191 /nfs/dbraw/zinc/18/81/91/289188191.db2.gz MDUJPZVNQTWQOJ-UHFFFAOYSA-N -1 3 297.310 3.191 20 0 CGADHM C[C@H](C(=O)N1CCCc2cccc([O-])c21)c1ccccc1 ZINC000183845742 289280812 /nfs/dbraw/zinc/28/08/12/289280812.db2.gz ZDULXUPLACRYHX-ZDUSSCGKSA-N -1 3 281.355 3.475 20 0 CGADHM Cc1nc(CNC[C@H]2C(C)=CCC[C@H]2C)sc1C(=O)[O-] ZINC000555614436 289352744 /nfs/dbraw/zinc/35/27/44/289352744.db2.gz GKLTVDOAFCSWOK-PWSUYJOCSA-N -1 3 294.420 3.232 20 0 CGADHM [O-]c1cccnc1CN[C@@H](c1ccccc1)C1CCC1 ZINC000558401265 289491711 /nfs/dbraw/zinc/49/17/11/289491711.db2.gz ITRPCKGQMCEALY-KRWDZBQOSA-N -1 3 268.360 3.418 20 0 CGADHM C[C@H]1CCCCN1C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000184795103 290381801 /nfs/dbraw/zinc/38/18/01/290381801.db2.gz FJWIUJXOZCLEBZ-LBPRGKRZSA-N -1 3 273.376 3.286 20 0 CGADHM Cc1csc2[n-]c(-c3cc(C)cc(C)n3)nc(=O)c12 ZINC000348996866 293071421 /nfs/dbraw/zinc/07/14/21/293071421.db2.gz QVEZFDFWGYNAGW-UHFFFAOYSA-N -1 3 271.345 3.384 20 0 CGADHM Cc1cc(C(=O)Nc2ccccc2N(C)C)ccc1[O-] ZINC000227018353 301150253 /nfs/dbraw/zinc/15/02/53/301150253.db2.gz XGOICZDGIIHBTO-UHFFFAOYSA-N -1 3 270.332 3.019 20 0 CGADHM Cc1ccc(NC(=O)c2coc3c2C(=O)CCC3)c([O-])c1 ZINC000294305379 301645668 /nfs/dbraw/zinc/64/56/68/301645668.db2.gz IWPKTWMNCYEADH-UHFFFAOYSA-N -1 3 285.299 3.065 20 0 CGADHM Cc1cc(F)ccc1C[S@@](=O)c1cccc([O-])c1 ZINC000187080681 327709206 /nfs/dbraw/zinc/70/92/06/327709206.db2.gz ZJYIGPJOQDLWLN-GOSISDBHSA-N -1 3 264.321 3.148 20 0 CGADHM CC1(C)CCCN1Cc1cccc(C(=O)[O-])c1Cl ZINC000394545302 329125839 /nfs/dbraw/zinc/12/58/39/329125839.db2.gz DIHNCQFQFQARJK-UHFFFAOYSA-N -1 3 267.756 3.413 20 0 CGADHM CN(C)c1cccc(C(=O)Nc2ccc(Cl)cc2[O-])c1 ZINC000153693478 321724765 /nfs/dbraw/zinc/72/47/65/321724765.db2.gz WAFKBJZSMYNFHX-UHFFFAOYSA-N -1 3 290.750 3.364 20 0 CGADHM C[C@H]1C[C@@]1(NCc1ncccc1[O-])c1ccc(Cl)cc1 ZINC000564004939 322017885 /nfs/dbraw/zinc/01/78/85/322017885.db2.gz MLTPMWSWROLDOB-ZBEGNZNMSA-N -1 3 288.778 3.466 20 0 CGADHM O=C(CCC(F)(F)F)Nc1c([O-])cccc1Cl ZINC000565197813 322065922 /nfs/dbraw/zinc/06/59/22/322065922.db2.gz BBAZOSRXXCFJPR-UHFFFAOYSA-N -1 3 267.634 3.327 20 0 CGADHM CC1(C)c2ccccc2CCN1Cc1ncccc1[O-] ZINC000566627614 322132256 /nfs/dbraw/zinc/13/22/56/322132256.db2.gz FWLSDVYZWXEOAR-UHFFFAOYSA-N -1 3 268.360 3.081 20 0 CGADHM CN(Cc1occc1C(=O)[O-])[C@@H]1CCc2ccccc21 ZINC000567172899 322153120 /nfs/dbraw/zinc/15/31/20/322153120.db2.gz CMQGZLTUSWCVDV-CQSZACIVSA-N -1 3 271.316 3.097 20 0 CGADHM C[C@H]1CCC[C@@H](NC(=O)c2c[n-]nc2-c2ccccn2)CC1 ZINC000567552303 322167696 /nfs/dbraw/zinc/16/76/96/322167696.db2.gz WCBLDNIUWZATFV-QWHCGFSZSA-N -1 3 298.390 3.170 20 0 CGADHM Cc1ccc([C@@H](C)N(C)Cc2ccoc2C(=O)[O-])cc1 ZINC000568060653 322190739 /nfs/dbraw/zinc/19/07/39/322190739.db2.gz JHCGROTUUIYGRA-GFCCVEGCSA-N -1 3 273.332 3.479 20 0 CGADHM CC1(C)CCC[C@@H](NC(=O)c2c[n-]nc2-c2ccccn2)C1 ZINC000568921279 322227423 /nfs/dbraw/zinc/22/74/23/322227423.db2.gz DUCQQLREAPZPNV-GFCCVEGCSA-N -1 3 298.390 3.170 20 0 CGADHM CCC[C@H](CC)S(=O)(=O)[N-]c1cccc2cc[nH]c21 ZINC000569108684 322235068 /nfs/dbraw/zinc/23/50/68/322235068.db2.gz PLKBTWHISDWEBT-LBPRGKRZSA-N -1 3 280.393 3.488 20 0 CGADHM CCc1ccc([C@H]2CCCN2Cc2ncccc2[O-])o1 ZINC000569391467 322246190 /nfs/dbraw/zinc/24/61/90/322246190.db2.gz OFFJRJINKGLENF-CQSZACIVSA-N -1 3 272.348 3.280 20 0 CGADHM O=C([O-])[C@@H]1CCCC[C@@H]1NCc1ccc(F)cc1Cl ZINC000569927875 322260704 /nfs/dbraw/zinc/26/07/04/322260704.db2.gz ONTQOYBMESXZEN-YPMHNXCESA-N -1 3 285.746 3.212 20 0 CGADHM C[C@H](CN(C)Cc1ccoc1C(=O)[O-])c1ccccc1 ZINC000570220877 322268141 /nfs/dbraw/zinc/26/81/41/322268141.db2.gz WRXLLQOFPPDZSN-GFCCVEGCSA-N -1 3 273.332 3.213 20 0 CGADHM CC[C@H](c1ccccc1)N(CC)C(=O)Cc1cncc([O-])c1 ZINC000570291179 322270051 /nfs/dbraw/zinc/27/00/51/322270051.db2.gz FALSIEHHZKHLFT-QGZVFWFLSA-N -1 3 298.386 3.330 20 0 CGADHM O=C(Cc1cncc([O-])c1)Nc1cccc(C2CCC2)c1 ZINC000570291177 322270129 /nfs/dbraw/zinc/27/01/29/322270129.db2.gz DZKGFKFSICEIJU-UHFFFAOYSA-N -1 3 282.343 3.236 20 0 CGADHM CC[C@H]1CCN(CCOc2ccc(C(=O)[O-])cc2Cl)C1 ZINC000572295901 322329802 /nfs/dbraw/zinc/32/98/02/322329802.db2.gz DVLMZIHJEGMMJZ-NSHDSACASA-N -1 3 297.782 3.149 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)Nc1scnc1C1CC1 ZINC000572930783 322361892 /nfs/dbraw/zinc/36/18/92/322361892.db2.gz TZMOOJWGZZNCFN-UHFFFAOYSA-N -1 3 292.335 3.046 20 0 CGADHM C[C@H](C(=O)N=c1cc2ccccn2[n-]1)c1cccc(Cl)c1 ZINC000574541648 322445698 /nfs/dbraw/zinc/44/56/98/322445698.db2.gz ZVDIXDKCCCQIEB-NSHDSACASA-N -1 3 299.761 3.152 20 0 CGADHM CC(=O)c1ccc(C(=O)N[C@H]2CC23CCCCC3)cc1[O-] ZINC000583368073 327325368 /nfs/dbraw/zinc/32/53/68/327325368.db2.gz WGTVKUQFWWKAJZ-HNNXBMFYSA-N -1 3 287.359 3.047 20 0 CGADHM CCC[C@H](C)C[C@H](NCc1cccc(F)c1F)C(=O)[O-] ZINC000580388346 328800652 /nfs/dbraw/zinc/80/06/52/328800652.db2.gz UXBPOKWPXHOEGP-GWCFXTLKSA-N -1 3 285.334 3.334 20 0 CGADHM Cc1nn(C(C)C)cc1C(=O)N1CCCc2cccc([O-])c21 ZINC000583821511 329481231 /nfs/dbraw/zinc/48/12/31/329481231.db2.gz LLJJMJVWNDMSRM-UHFFFAOYSA-N -1 3 299.374 3.071 20 0 CGADHM C[C@@H](Cc1cccc(F)c1)C(=O)Nc1cc(F)ccc1[O-] ZINC000174894393 335169010 /nfs/dbraw/zinc/16/90/10/335169010.db2.gz RGEAHSMQXHSYQB-JTQLQIEISA-N -1 3 291.297 3.488 20 0 CGADHM CCc1ccc(CC(=O)Nc2ccccc2[O-])cc1 ZINC000175083097 335173098 /nfs/dbraw/zinc/17/30/98/335173098.db2.gz MIXGQQNDIZAIDF-UHFFFAOYSA-N -1 3 255.317 3.136 20 0 CGADHM Cc1ccc(C(=O)N[C@H]2COCc3ccccc32)c([O-])c1C ZINC000576329028 335190136 /nfs/dbraw/zinc/19/01/36/335190136.db2.gz CKFRSTYMBLENPE-INIZCTEOSA-N -1 3 297.354 3.010 20 0 CGADHM C[C@@H](C(=O)Nc1ncccc1[O-])c1ccc(Cl)s1 ZINC000176120491 335240674 /nfs/dbraw/zinc/24/06/74/335240674.db2.gz XPSNGAQVGUULHN-SSDOTTSWSA-N -1 3 282.752 3.244 20 0 CGADHM C[C@H](C(=O)Nc1ncccc1[O-])c1ccc(Cl)s1 ZINC000176120477 335240819 /nfs/dbraw/zinc/24/08/19/335240819.db2.gz XPSNGAQVGUULHN-ZETCQYMHSA-N -1 3 282.752 3.244 20 0 CGADHM CC(C)CC(=O)Nc1cc(Br)ccc1[O-] ZINC000176439387 335278727 /nfs/dbraw/zinc/27/87/27/335278727.db2.gz GDQUUKRALMSEMT-UHFFFAOYSA-N -1 3 272.142 3.139 20 0 CGADHM O=C(C[C@@H]1C=CCC1)Nc1cc(Br)ccc1[O-] ZINC000176432000 335275939 /nfs/dbraw/zinc/27/59/39/335275939.db2.gz HVKZCVNSHNYVLU-SECBINFHSA-N -1 3 296.164 3.450 20 0 CGADHM CC1(C)CCCN(Cc2csc(C(=O)[O-])c2)C1 ZINC000576998421 335276061 /nfs/dbraw/zinc/27/60/61/335276061.db2.gz JQKQFQQBNCNDFY-UHFFFAOYSA-N -1 3 253.367 3.068 20 0 CGADHM O=C(Nc1cc(Br)ccc1[O-])[C@H]1CC=CCC1 ZINC000176432890 335276292 /nfs/dbraw/zinc/27/62/92/335276292.db2.gz AYEJUIPOYFJPRI-VIFPVBQESA-N -1 3 296.164 3.450 20 0 CGADHM CCN(Cc1c(F)cccc1F)[C@@H](CC(C)C)C(=O)[O-] ZINC000577499885 335360300 /nfs/dbraw/zinc/36/03/00/335360300.db2.gz KMAWHLGPANUWGX-AWEZNQCLSA-N -1 3 285.334 3.286 20 0 CGADHM C[C@H]1CCSCCN1Cc1ccc(C(=O)[O-])c(Cl)c1 ZINC000577642516 335384925 /nfs/dbraw/zinc/38/49/25/335384925.db2.gz JSMUIKPJLFAOAQ-JTQLQIEISA-N -1 3 299.823 3.366 20 0 CGADHM C[C@H]1CCC[C@H](C(=O)Nc2cc(F)ccc2[O-])C1 ZINC000178326303 335426311 /nfs/dbraw/zinc/42/63/11/335426311.db2.gz DZHNDUIEGNJECI-UWVGGRQHSA-N -1 3 251.301 3.296 20 0 CGADHM COc1cc(-c2noc([C@H](C)C(F)(F)F)n2)ccc1[O-] ZINC000350583911 335516647 /nfs/dbraw/zinc/51/66/47/335516647.db2.gz VKTKJDHLDKFWSP-LURJTMIESA-N -1 3 288.225 3.117 20 0 CGADHM C[C@@H](CC(F)(F)F)c1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000351466542 335615937 /nfs/dbraw/zinc/61/59/37/335615937.db2.gz SGPRNELRXMEKRN-LURJTMIESA-N -1 3 297.240 3.064 20 0 CGADHM CC1(C)CC(C(=O)Nc2c([O-])cccc2Cl)C1 ZINC000579609599 335821850 /nfs/dbraw/zinc/82/18/50/335821850.db2.gz CNEYLOPRKSTNBH-UHFFFAOYSA-N -1 3 253.729 3.420 20 0 CGADHM Cc1ncccc1NC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000193409981 335969700 /nfs/dbraw/zinc/96/97/00/335969700.db2.gz MHHAPZUXXVDWDI-UHFFFAOYSA-N -1 3 296.248 3.367 20 0 CGADHM COc1ccc([O-])c(C(=O)N(C)[C@@H](C)c2ccccc2)c1 ZINC000194104587 336001754 /nfs/dbraw/zinc/00/17/54/336001754.db2.gz XFCYSLFMXKTZIP-LBPRGKRZSA-N -1 3 285.343 3.234 20 0 CGADHM C[C@H](NC(=O)c1c([O-])cccc1O)[C@H]1CC2CCC1CC2 ZINC000381512285 336067186 /nfs/dbraw/zinc/06/71/86/336067186.db2.gz LBACUYWBBYTWKY-YWPUVAFDSA-N -1 3 289.375 3.042 20 0 CGADHM CN(CCC1CC1)Cc1cccc(C(=O)[O-])c1Cl ZINC000382067428 336081118 /nfs/dbraw/zinc/08/11/18/336081118.db2.gz GVMFNVCTDJHKRF-UHFFFAOYSA-N -1 3 267.756 3.270 20 0 CGADHM O=C([O-])c1ccc(CN2CCC3(C2)CCCCC3)o1 ZINC000382108765 336081964 /nfs/dbraw/zinc/08/19/64/336081964.db2.gz PUKCTOFJYGBAPM-UHFFFAOYSA-N -1 3 263.337 3.134 20 0 CGADHM O=C([O-])c1ccc2c(c1)CN(C[C@H]1CCC(F)(F)C1)CC2 ZINC000384411208 336124480 /nfs/dbraw/zinc/12/44/80/336124480.db2.gz WJWFGOSWUAFMAM-NSHDSACASA-N -1 3 295.329 3.178 20 0 CGADHM O=C([O-])c1ccc2c(c1)CN(C[C@@H]1CCC(F)(F)C1)CC2 ZINC000384411206 336124491 /nfs/dbraw/zinc/12/44/91/336124491.db2.gz WJWFGOSWUAFMAM-LLVKDONJSA-N -1 3 295.329 3.178 20 0 CGADHM COCCN(Cc1c(Cl)cccc1C(=O)[O-])CC(C)C ZINC000581731859 336139524 /nfs/dbraw/zinc/13/95/24/336139524.db2.gz SDWLZDAPULYKMY-UHFFFAOYSA-N -1 3 299.798 3.143 20 0 CGADHM CC[C@H](C)N(Cc1oncc1C(=O)[O-])Cc1ccccc1 ZINC000387202611 336187667 /nfs/dbraw/zinc/18/76/67/336187667.db2.gz HXAZJPWXKZRPKY-LBPRGKRZSA-N -1 3 288.347 3.174 20 0 CGADHM COc1ccc(C(=O)NCC[C@@H](C)c2ccccc2)c([O-])c1 ZINC000387295120 336191170 /nfs/dbraw/zinc/19/11/70/336191170.db2.gz BXWRQQSUHDUCFH-CYBMUJFWSA-N -1 3 299.370 3.324 20 0 CGADHM CC1(C)CCCN(C(=O)Cc2ccc([O-])cc2Cl)C1 ZINC000151458539 520323166 /nfs/dbraw/zinc/32/31/66/520323166.db2.gz BIZWZJYAOYMNQY-UHFFFAOYSA-N -1 3 281.783 3.237 20 0 CGADHM CS[C@@H](CNC(=O)c1cccc(C)c1[O-])C(C)(C)C ZINC000436838472 533926805 /nfs/dbraw/zinc/92/68/05/533926805.db2.gz RBOKXJZAAOCAHH-LBPRGKRZSA-N -1 3 281.421 3.208 20 0 CGADHM COc1ccc(NC(=O)[C@H]2CCCC[C@H]2C)c([O-])c1 ZINC000424807138 534163517 /nfs/dbraw/zinc/16/35/17/534163517.db2.gz RTGLFAARHLEQHE-PWSUYJOCSA-N -1 3 263.337 3.166 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-]CCCCC2CCCC2)o1 ZINC000358612388 534209059 /nfs/dbraw/zinc/20/90/59/534209059.db2.gz PKZWZNAMYYXZND-UHFFFAOYSA-N -1 3 285.409 3.227 20 0 CGADHM C[C@@H](Cc1ccccc1)C(=O)Nc1cc(F)ccc1[O-] ZINC000174892955 534246493 /nfs/dbraw/zinc/24/64/93/534246493.db2.gz IENXWIRLKXOROR-NSHDSACASA-N -1 3 273.307 3.349 20 0 CGADHM Cc1ccc(C(=O)NC2(c3cccc(F)c3)CC2)c([O-])c1 ZINC000436535075 534262893 /nfs/dbraw/zinc/26/28/93/534262893.db2.gz MUYGFEZAGJHHTA-UHFFFAOYSA-N -1 3 285.318 3.259 20 0 CGADHM Cc1ccc2c(CSC[C@@H](C)CO)ccc([O-])c2n1 ZINC000427798807 534392869 /nfs/dbraw/zinc/39/28/69/534392869.db2.gz DAGZLLDEQACGNA-JTQLQIEISA-N -1 3 277.389 3.110 20 0 CGADHM [O-]c1ccc(-c2noc(-c3ncccc3Cl)n2)cc1 ZINC000436783487 534448452 /nfs/dbraw/zinc/44/84/52/534448452.db2.gz MJBQKKIBGIUTOE-UHFFFAOYSA-N -1 3 273.679 3.158 20 0 CGADHM [O-]c1ccc(-c2noc(COC(F)F)n2)c2ccccc12 ZINC000436613375 534451550 /nfs/dbraw/zinc/45/15/50/534451550.db2.gz QKNNWRQRSOJIFF-UHFFFAOYSA-N -1 3 292.241 3.335 20 0 CGADHM Cc1cccc(C(=O)N(C)CCCc2ccccc2)c1[O-] ZINC000192687656 534584917 /nfs/dbraw/zinc/58/49/17/534584917.db2.gz STIBHRJUIFVCRE-UHFFFAOYSA-N -1 3 283.371 3.405 20 0 CGADHM Cc1cccc(C(=O)NC/C=C\c2ccccc2)c1[O-] ZINC000436545396 534600787 /nfs/dbraw/zinc/60/07/87/534600787.db2.gz GNUGUYXZDRJKLR-POHAHGRESA-N -1 3 267.328 3.144 20 0 CGADHM Cc1cccc(C(=O)NC[C@@H](C)Oc2ccccc2C)c1[O-] ZINC000436566982 534606213 /nfs/dbraw/zinc/60/62/13/534606213.db2.gz RGEOIFTZZBEGRO-CQSZACIVSA-N -1 3 299.370 3.206 20 0 CGADHM Cc1cccc(C(=O)NCc2coc3ccccc23)c1[O-] ZINC000436550918 534610571 /nfs/dbraw/zinc/61/05/71/534610571.db2.gz KDCPTFITULENLB-UHFFFAOYSA-N -1 3 281.311 3.377 20 0 CGADHM Cc1cccc(C(=O)N[C@@H](C(C)C)C(F)(F)F)c1[O-] ZINC000413999466 534612537 /nfs/dbraw/zinc/61/25/37/534612537.db2.gz VEBXPZVDIXNPFA-NSHDSACASA-N -1 3 275.270 3.017 20 0 CGADHM Cc1cccc(C(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)c1[O-] ZINC000436562266 534618936 /nfs/dbraw/zinc/61/89/36/534618936.db2.gz AANGFIFOWKTENB-MELADBBJSA-N -1 3 273.376 3.399 20 0 CGADHM CC[C@H](NCc1nc(C)ccc1[O-])c1ccc(OC)cc1 ZINC000103340932 522665090 /nfs/dbraw/zinc/66/50/90/522665090.db2.gz SEHDGRLIEZIHMI-HNNXBMFYSA-N -1 3 286.375 3.345 20 0 CGADHM CC[C@H]1C[C@H](C(=O)Nc2cc(Cl)cc(C)c2[O-])CCO1 ZINC000183822358 523392214 /nfs/dbraw/zinc/39/22/14/523392214.db2.gz RICIZQCAYGWLIR-PWSUYJOCSA-N -1 3 297.782 3.498 20 0 CGADHM O=C(NCCC1=CCCCCC1)c1c([O-])cccc1O ZINC000436822254 534826900 /nfs/dbraw/zinc/82/69/00/534826900.db2.gz SQSKFGNOGNKOOX-UHFFFAOYSA-N -1 3 275.348 3.108 20 0 CGADHM Cc1ccc([O-])c(C(=O)N(C)C[C@@H](C)c2nccs2)c1 ZINC000184997909 525332923 /nfs/dbraw/zinc/33/29/23/525332923.db2.gz AYGZVSQWULZLLP-LLVKDONJSA-N -1 3 290.388 3.033 20 0 CGADHM Cc1nc(C)c(CNC(=O)c2ccc(C)c(C)c2[O-])s1 ZINC000436590960 534883803 /nfs/dbraw/zinc/88/38/03/534883803.db2.gz USKMELLTGCDRQP-UHFFFAOYSA-N -1 3 290.388 3.012 20 0 CGADHM Cc1n[nH]c(C)c1[C@@H](C)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000183704128 526507634 /nfs/dbraw/zinc/50/76/34/526507634.db2.gz BBFWMGMFNGBFEC-SSDOTTSWSA-N -1 3 293.754 3.128 20 0 CGADHM O=C([N-]OCC1CC1)Nc1cccc2ccccc21 ZINC000292289122 526844592 /nfs/dbraw/zinc/84/45/92/526844592.db2.gz JEPMNIPYIKURCJ-UHFFFAOYSA-N -1 3 256.305 3.303 20 0 CGADHM Cn1nc(C2CCCC2)cc1NC(=O)c1cccc([O-])c1 ZINC000184033787 527552122 /nfs/dbraw/zinc/55/21/22/527552122.db2.gz KUFYYFDIQGEWSU-UHFFFAOYSA-N -1 3 285.347 3.036 20 0 CGADHM CC(C)(C)C[C@@H](NCc1cccc(Cl)c1F)C(=O)[O-] ZINC000426777552 527694081 /nfs/dbraw/zinc/69/40/81/527694081.db2.gz OJRARRKMPKVBJQ-LLVKDONJSA-N -1 3 287.762 3.458 20 0 CGADHM CC1(CNC(=O)c2c[n-]nc2-c2ccc(Cl)s2)CC1 ZINC000427246165 527973278 /nfs/dbraw/zinc/97/32/78/527973278.db2.gz NFUHADWWCHHGOC-UHFFFAOYSA-N -1 3 295.795 3.322 20 0 CGADHM CCO[C@H](CCNC(=O)c1ccccc1[O-])C1CCCC1 ZINC000436578450 528049058 /nfs/dbraw/zinc/04/90/58/528049058.db2.gz VTEUTUUKPLUMHK-MRXNPFEDSA-N -1 3 291.391 3.107 20 0 CGADHM CCCN(C[C@H]1CCCCO1)C(=O)c1ccc(C)cc1[O-] ZINC000436557827 528126835 /nfs/dbraw/zinc/12/68/35/528126835.db2.gz YCEWWPDIBGZMQY-CQSZACIVSA-N -1 3 291.391 3.122 20 0 CGADHM CC1=C[C@H](C)CN(C(=O)Cc2ccc([O-])cc2Cl)C1 ZINC000436021908 528135718 /nfs/dbraw/zinc/13/57/18/528135718.db2.gz KRXVVWDQTVFVGQ-JTQLQIEISA-N -1 3 279.767 3.013 20 0 CGADHM CC(C)C[C@@H]1CCCN1C(=O)Cc1ccc([O-])c(F)c1 ZINC000448839297 528377892 /nfs/dbraw/zinc/37/78/92/528377892.db2.gz AHPNNMYFIYWVEL-ZDUSSCGKSA-N -1 3 279.355 3.111 20 0 CGADHM CCC[C@]1(C)CCCN(C(=O)c2cccc(OC)c2[O-])C1 ZINC000173243979 528501497 /nfs/dbraw/zinc/50/14/97/528501497.db2.gz XPWXMTGISSJNLK-QGZVFWFLSA-N -1 3 291.391 3.443 20 0 CGADHM CC(C)C[C@H]1CCCN(C(=O)c2cccc([O-])c2)C1 ZINC000357403693 528587982 /nfs/dbraw/zinc/58/79/82/528587982.db2.gz KRHIKAPMAPIHMR-CYBMUJFWSA-N -1 3 261.365 3.291 20 0 CGADHM CCC(C)(C)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436598827 528599521 /nfs/dbraw/zinc/59/95/21/528599521.db2.gz BBXWAJYCLAPFGK-CQSZACIVSA-N -1 3 261.365 3.433 20 0 CGADHM CCC(CC)(CC)[S@](=O)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000414234478 528640292 /nfs/dbraw/zinc/64/02/92/528640292.db2.gz CNVHAIYHIQUGAE-HXUWFJFHSA-N -1 3 296.436 3.277 20 0 CGADHM CCCCOc1ccc(C(=O)NCCCSC)c([O-])c1 ZINC000436985175 528663985 /nfs/dbraw/zinc/66/39/85/528663985.db2.gz CXIGXDMVXYUONT-UHFFFAOYSA-N -1 3 297.420 3.054 20 0 CGADHM CCC[C@@H](C)N(C)C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436525667 528886786 /nfs/dbraw/zinc/88/67/86/528886786.db2.gz GZXCGIJLUABUSH-LLVKDONJSA-N -1 3 291.391 3.366 20 0 CGADHM CCCC[C@H](S[C@@H](C)c1nc(C)cc(=O)[n-]1)C(=O)OC ZINC000355929144 528999247 /nfs/dbraw/zinc/99/92/47/528999247.db2.gz GUYCOMKIYSUJAE-QWRGUYRKSA-N -1 3 298.408 3.017 20 0 CGADHM CCCCn1c(SCCCC(C)C)n[n-]c1=O ZINC000428078239 529069835 /nfs/dbraw/zinc/06/98/35/529069835.db2.gz ZRJUZEIGHSQYLS-UHFFFAOYSA-N -1 3 257.403 3.312 20 0 CGADHM CCN(C(=O)c1cc(OC)ccc1[O-])[C@H]1CCCC[C@H]1C ZINC000171241424 529076156 /nfs/dbraw/zinc/07/61/56/529076156.db2.gz UUEUYSVMSIAURP-DOMZBBRYSA-N -1 3 291.391 3.442 20 0 CGADHM CCN(C(=O)c1ccccc1[O-])[C@H]1CCCC[C@H]1C ZINC000436752059 529093521 /nfs/dbraw/zinc/09/35/21/529093521.db2.gz WTAYKWNSGNYGRS-OCCSQVGLSA-N -1 3 261.365 3.433 20 0 CGADHM CCS[C@H]1CCC[C@@H]1NC(=O)c1ccc([O-])c(CC)c1 ZINC000436653496 529230151 /nfs/dbraw/zinc/23/01/51/529230151.db2.gz FHFSJZXWQGKARK-ZFWWWQNUSA-N -1 3 293.432 3.359 20 0 CGADHM CC[C@H](C)n1ncc(C(=O)Nc2ccc([O-])cc2F)c1C ZINC000359868430 529291239 /nfs/dbraw/zinc/29/12/39/529291239.db2.gz CDOPOLKLFPXPAD-VIFPVBQESA-N -1 3 291.326 3.260 20 0 CGADHM CC[C@@H](C)N(C)C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436544275 529340199 /nfs/dbraw/zinc/34/01/99/529340199.db2.gz OIIDKIFJWBEOTB-LLVKDONJSA-N -1 3 261.365 3.142 20 0 CGADHM CC[C@@H](C)NC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436979247 529372329 /nfs/dbraw/zinc/37/23/29/529372329.db2.gz KGLQCONTMHKLQJ-CYBMUJFWSA-N -1 3 299.370 3.500 20 0 CGADHM CC(C)Oc1ccc(/C=C/C(=O)[N-]OC2CCC2)cc1 ZINC000493807666 534970307 /nfs/dbraw/zinc/97/03/07/534970307.db2.gz DTHGDBJYYLKNPV-DHZHZOJOSA-N -1 3 275.348 3.087 20 0 CGADHM CC(C)N(CC(=O)[O-])Cc1cc2ccccc2s1 ZINC000263502183 535039892 /nfs/dbraw/zinc/03/98/92/535039892.db2.gz LBIBVSFEEYXTAE-UHFFFAOYSA-N -1 3 263.362 3.196 20 0 CGADHM CCc1cc(C(=O)N2CCC[C@@H](C3CC3)C2)ccc1[O-] ZINC000494748073 536106113 /nfs/dbraw/zinc/10/61/13/536106113.db2.gz JRLGFTLBRTXDCH-OAHLLOKOSA-N -1 3 273.376 3.217 20 0 CGADHM CCc1cc(C(=O)Nc2cc(F)ccc2OC)ccc1[O-] ZINC000486960911 536133654 /nfs/dbraw/zinc/13/36/54/536133654.db2.gz BTPZUEGZLBCICU-UHFFFAOYSA-N -1 3 289.306 3.355 20 0 CGADHM COc1ccc([O-])c(C(=O)N2C[C@@H](C(C)C)[C@H]2C(C)C)c1 ZINC000456308260 536818375 /nfs/dbraw/zinc/81/83/75/536818375.db2.gz YKQSMRVFCHOSQB-GOEBONIOSA-N -1 3 291.391 3.153 20 0 CGADHM CCO[N-]C(=O)CCCc1ccc(C(C)(C)C)cc1 ZINC000727368232 571742387 /nfs/dbraw/zinc/74/23/87/571742387.db2.gz SXGWJRZVFIHMDR-UHFFFAOYSA-N -1 3 263.381 3.375 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])[C@H]1CC[C@@H](C(F)(F)F)C1 ZINC000336358786 571803634 /nfs/dbraw/zinc/80/36/34/571803634.db2.gz WZKBHQLUGGQDBF-JGVFFNPUSA-N -1 3 291.244 3.448 20 0 CGADHM O=C(Nc1ccccc1-c1nnn[n-]1)C1CCCCCCC1 ZINC000738190201 572365156 /nfs/dbraw/zinc/36/51/56/572365156.db2.gz BAUODGYMXSMBJZ-UHFFFAOYSA-N -1 3 299.378 3.166 20 0 CGADHM O=C(Nc1ccccc1-c1nn[n-]n1)C1CCCCCCC1 ZINC000738190201 572365159 /nfs/dbraw/zinc/36/51/59/572365159.db2.gz BAUODGYMXSMBJZ-UHFFFAOYSA-N -1 3 299.378 3.166 20 0 CGADHM c1oc2ccccc2c1CNc1ccc(-c2nnn[n-]2)cc1 ZINC000738432544 572375418 /nfs/dbraw/zinc/37/54/18/572375418.db2.gz GWPCLOZOFBPUAM-UHFFFAOYSA-N -1 3 291.314 3.225 20 0 CGADHM c1oc2ccccc2c1CNc1ccc(-c2nn[n-]n2)cc1 ZINC000738432544 572375421 /nfs/dbraw/zinc/37/54/21/572375421.db2.gz GWPCLOZOFBPUAM-UHFFFAOYSA-N -1 3 291.314 3.225 20 0 CGADHM CC(C)N(CCCNCc1ccc(Cl)s1)C(=O)[O-] ZINC000738849337 572396000 /nfs/dbraw/zinc/39/60/00/572396000.db2.gz ZVZIAPLPUDJLMY-UHFFFAOYSA-N -1 3 290.816 3.270 20 0 CGADHM C[C@H](c1ccccc1F)N1CCC(CN(C)C(=O)[O-])CC1 ZINC000739060906 572400506 /nfs/dbraw/zinc/40/05/06/572400506.db2.gz PWPHQTFBLQIXSD-GFCCVEGCSA-N -1 3 294.370 3.209 20 0 CGADHM Cc1cc(CN2CCC([C@@H](C)NC(=O)[O-])CC2)c(C)s1 ZINC000740081358 572431982 /nfs/dbraw/zinc/43/19/82/572431982.db2.gz QZDZXXNPOLSKNB-LLVKDONJSA-N -1 3 296.436 3.233 20 0 CGADHM C[C@@H]1CCC[C@H](C(=O)Nc2n[n-]c(-c3cccs3)n2)C1 ZINC000741683789 572541831 /nfs/dbraw/zinc/54/18/31/572541831.db2.gz PCUPLHZBEJZAJN-ZJUUUORDSA-N -1 3 290.392 3.298 20 0 CGADHM CS[C@H]1CC[C@H](NC(=O)c2ccc(C)c(C)c2[O-])C1 ZINC000743727466 572681178 /nfs/dbraw/zinc/68/11/78/572681178.db2.gz BUOMPUBPSVMTOQ-RYUDHWBXSA-N -1 3 279.405 3.023 20 0 CGADHM Cc1ccc(CCOC(=O)c2cc(-c3ccco3)n[n-]2)cc1 ZINC000735400246 572719878 /nfs/dbraw/zinc/71/98/78/572719878.db2.gz MWMVQBNKAVLVAH-UHFFFAOYSA-N -1 3 296.326 3.378 20 0 CGADHM Cc1ccc(CCOC(=O)c2cc(-c3ccco3)[n-]n2)cc1 ZINC000735400246 572719880 /nfs/dbraw/zinc/71/98/80/572719880.db2.gz MWMVQBNKAVLVAH-UHFFFAOYSA-N -1 3 296.326 3.378 20 0 CGADHM CC(C)CCNc1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC000735811693 572741220 /nfs/dbraw/zinc/74/12/20/572741220.db2.gz QSHVOWUYCPQAQX-UHFFFAOYSA-N -1 3 299.300 3.344 20 0 CGADHM CC(C)CCNc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000735811693 572741225 /nfs/dbraw/zinc/74/12/25/572741225.db2.gz QSHVOWUYCPQAQX-UHFFFAOYSA-N -1 3 299.300 3.344 20 0 CGADHM CC1(C)CCN(c2ccc(Cl)cc2-c2nnn[n-]2)CC1 ZINC000736212060 572772740 /nfs/dbraw/zinc/77/27/40/572772740.db2.gz VZLAPGKGGUCIBL-UHFFFAOYSA-N -1 3 291.786 3.147 20 0 CGADHM CC1(C)CCN(c2ccc(Cl)cc2-c2nn[n-]n2)CC1 ZINC000736212060 572772745 /nfs/dbraw/zinc/77/27/45/572772745.db2.gz VZLAPGKGGUCIBL-UHFFFAOYSA-N -1 3 291.786 3.147 20 0 CGADHM C[C@@H]1C[C@H](C)CN(c2cccc(Cl)c2-c2nnn[n-]2)C1 ZINC000736231748 572774595 /nfs/dbraw/zinc/77/45/95/572774595.db2.gz XLJDLWXOALOQLH-AOOOYVTPSA-N -1 3 291.786 3.002 20 0 CGADHM C[C@@H]1C[C@H](C)CN(c2cccc(Cl)c2-c2nn[n-]n2)C1 ZINC000736231748 572774598 /nfs/dbraw/zinc/77/45/98/572774598.db2.gz XLJDLWXOALOQLH-AOOOYVTPSA-N -1 3 291.786 3.002 20 0 CGADHM C[C@H]1CCC[C@@H]1Nc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000736263384 572778233 /nfs/dbraw/zinc/77/82/33/572778233.db2.gz PUKGOYWWALXSFS-KWQFWETISA-N -1 3 277.759 3.121 20 0 CGADHM C[C@H]1CCC[C@@H]1Nc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000736263384 572778237 /nfs/dbraw/zinc/77/82/37/572778237.db2.gz PUKGOYWWALXSFS-KWQFWETISA-N -1 3 277.759 3.121 20 0 CGADHM C[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000736278682 572778941 /nfs/dbraw/zinc/77/89/41/572778941.db2.gz UGZUKQFLAONTPH-SNVBAGLBSA-N -1 3 291.786 3.147 20 0 CGADHM C[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000736278682 572778944 /nfs/dbraw/zinc/77/89/44/572778944.db2.gz UGZUKQFLAONTPH-SNVBAGLBSA-N -1 3 291.786 3.147 20 0 CGADHM CCC(CC)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000736345807 572783894 /nfs/dbraw/zinc/78/38/94/572783894.db2.gz LSPZNJPCMQPKAX-UHFFFAOYSA-N -1 3 265.748 3.121 20 0 CGADHM C[C@@H](N[C@H]1CCCN(C(=O)[O-])C1)c1cccc(Cl)c1 ZINC000736661032 572803417 /nfs/dbraw/zinc/80/34/17/572803417.db2.gz CNBWOYMWPXWOQP-MFKMUULPSA-N -1 3 282.771 3.133 20 0 CGADHM CN(CC(C)(C)C)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000736788760 572813077 /nfs/dbraw/zinc/81/30/77/572813077.db2.gz NXVGRQCCUOFNFI-UHFFFAOYSA-N -1 3 279.775 3.002 20 0 CGADHM CN(CC(C)(C)C)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000736788760 572813081 /nfs/dbraw/zinc/81/30/81/572813081.db2.gz NXVGRQCCUOFNFI-UHFFFAOYSA-N -1 3 279.775 3.002 20 0 CGADHM C[C@@H]1c2ccccc2OCCN1[C@H](C(=O)[O-])c1ccccc1 ZINC000736840679 572820984 /nfs/dbraw/zinc/82/09/84/572820984.db2.gz QDPQXJREWBYGHA-DYVFJYSZSA-N -1 3 297.354 3.268 20 0 CGADHM CSc1ccc(NCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737189309 572865289 /nfs/dbraw/zinc/86/52/89/572865289.db2.gz DRUVFNPURSOJAD-UHFFFAOYSA-N -1 3 297.387 3.201 20 0 CGADHM CSc1ccc(NCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737189309 572865293 /nfs/dbraw/zinc/86/52/93/572865293.db2.gz DRUVFNPURSOJAD-UHFFFAOYSA-N -1 3 297.387 3.201 20 0 CGADHM O=C([N-]c1cc(C(F)(F)F)no1)c1ccc(Cl)o1 ZINC000748352831 572974440 /nfs/dbraw/zinc/97/44/40/572974440.db2.gz DEQBLPHZIHFTHW-UHFFFAOYSA-N -1 3 280.589 3.192 20 0 CGADHM CC(C)CON=C([O-])Nc1nc(C(C)(C)C)cs1 ZINC000749855145 573047329 /nfs/dbraw/zinc/04/73/29/573047329.db2.gz BFSKVTYNNMTWMT-UHFFFAOYSA-N -1 3 271.386 3.150 20 0 CGADHM CC(C)CO[N-]C(=O)Nc1nc(C(C)(C)C)cs1 ZINC000749855145 573047334 /nfs/dbraw/zinc/04/73/34/573047334.db2.gz BFSKVTYNNMTWMT-UHFFFAOYSA-N -1 3 271.386 3.150 20 0 CGADHM CCN(CC)c1ccc(NC(=O)c2ccc(N)cc2[O-])cc1 ZINC000750788740 573180323 /nfs/dbraw/zinc/18/03/23/573180323.db2.gz PPHRQCBWFUVZTK-UHFFFAOYSA-N -1 3 299.374 3.073 20 0 CGADHM Cc1ccccc1CNc1cccc(-c2nnn[n-]2)c1C ZINC000822361693 607258001 /nfs/dbraw/zinc/25/80/01/607258001.db2.gz GLCBAECMKJBCNA-UHFFFAOYSA-N -1 3 279.347 3.096 20 0 CGADHM Cc1ccccc1CNc1cccc(-c2nn[n-]n2)c1C ZINC000822361693 607258002 /nfs/dbraw/zinc/25/80/02/607258002.db2.gz GLCBAECMKJBCNA-UHFFFAOYSA-N -1 3 279.347 3.096 20 0 CGADHM Cc1ccc(CC[C@H](C)Nc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822236193 599064645 /nfs/dbraw/zinc/06/46/45/599064645.db2.gz NOKTZHUBLQNPPL-NSHDSACASA-N -1 3 297.362 3.201 20 0 CGADHM C[C@@H](Sc1ccccc1-c1nnn[n-]1)c1ccncc1 ZINC000820555552 599344903 /nfs/dbraw/zinc/34/49/03/599344903.db2.gz MHNLNEBIWWWBNO-SNVBAGLBSA-N -1 3 283.360 3.115 20 0 CGADHM C[C@@H](Sc1ccccc1-c1nn[n-]n1)c1ccncc1 ZINC000820555552 599344907 /nfs/dbraw/zinc/34/49/07/599344907.db2.gz MHNLNEBIWWWBNO-SNVBAGLBSA-N -1 3 283.360 3.115 20 0 CGADHM CN(Cc1ccccc1)c1c(Cl)cccc1-c1nnn[n-]1 ZINC000821614891 599463034 /nfs/dbraw/zinc/46/30/34/599463034.db2.gz YSMUXLGHICCEFI-UHFFFAOYSA-N -1 3 299.765 3.157 20 0 CGADHM CN(Cc1ccccc1)c1c(Cl)cccc1-c1nn[n-]n1 ZINC000821614891 599463036 /nfs/dbraw/zinc/46/30/36/599463036.db2.gz YSMUXLGHICCEFI-UHFFFAOYSA-N -1 3 299.765 3.157 20 0 CGADHM O=C([O-])c1ccc(CN2CCC(C3CCCC3)CC2)o1 ZINC000708765813 600841268 /nfs/dbraw/zinc/84/12/68/600841268.db2.gz MWFVSLZRURQGTR-UHFFFAOYSA-N -1 3 277.364 3.380 20 0 CGADHM CCN(CC)[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000037361384 600983369 /nfs/dbraw/zinc/98/33/69/600983369.db2.gz HWMURUXZCCWJHG-NSHDSACASA-N -1 3 276.163 3.461 20 0 CGADHM Cc1sc(C(=O)[O-])cc1CN1CCC[C@@H]1c1ccc[nH]1 ZINC000833032678 601620002 /nfs/dbraw/zinc/62/00/02/601620002.db2.gz LQLYSVCTOOPXJW-CYBMUJFWSA-N -1 3 290.388 3.420 20 0 CGADHM CC[C@](C)(CC(=O)[O-])NCc1ncc(-c2cccs2)o1 ZINC000828672424 602219305 /nfs/dbraw/zinc/21/93/05/602219305.db2.gz RPOZPFDLOGAKQR-CQSZACIVSA-N -1 3 294.376 3.136 20 0 CGADHM c1ccc(CCSCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826521701 607653857 /nfs/dbraw/zinc/65/38/57/607653857.db2.gz VZUMXPIZROGQLZ-UHFFFAOYSA-N -1 3 296.399 3.343 20 0 CGADHM c1ccc(CCSCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826521701 607653859 /nfs/dbraw/zinc/65/38/59/607653859.db2.gz VZUMXPIZROGQLZ-UHFFFAOYSA-N -1 3 296.399 3.343 20 0 CGADHM C[C@H](NCC[C@@H]1CCN(C(=O)[O-])C1)c1c(F)cccc1F ZINC000825490885 604290442 /nfs/dbraw/zinc/29/04/42/604290442.db2.gz ROZJIYYDHNJQIR-WDEREUQCSA-N -1 3 298.333 3.005 20 0 CGADHM Cc1ccc([C@@H](C)NC[C@@H](NC(=O)[O-])c2ccccc2)o1 ZINC000830256324 604380820 /nfs/dbraw/zinc/38/08/20/604380820.db2.gz IAKWFWFUWXTCQP-TZMCWYRMSA-N -1 3 288.347 3.248 20 0 CGADHM Cc1oc(-c2ccsc2)nc1CNC(C)(C)CC(=O)[O-] ZINC000833024366 604442880 /nfs/dbraw/zinc/44/28/80/604442880.db2.gz BOFHDKKPQQPPQU-UHFFFAOYSA-N -1 3 294.376 3.054 20 0 CGADHM O=C([O-])[C@@H]1CCCN1Cc1cc(-c2ccccc2)cs1 ZINC000263444331 604529762 /nfs/dbraw/zinc/52/97/62/604529762.db2.gz XKORTIIPYLELAK-HNNXBMFYSA-N -1 3 287.384 3.464 20 0 CGADHM Cc1ccc([C@@H](C)N[C@H](C(=O)[O-])c2cccnc2)c(C)c1 ZINC000832921195 604994869 /nfs/dbraw/zinc/99/48/69/604994869.db2.gz NQVAEOMFMADASJ-CJNGLKHVSA-N -1 3 284.359 3.175 20 0 CGADHM C/C(=C\CN[C@@H](C)c1ccc(F)cc1Cl)C(=O)[O-] ZINC000833383140 605141361 /nfs/dbraw/zinc/14/13/61/605141361.db2.gz KNCZSQCIXDJVBA-QRJSTWQJSA-N -1 3 271.719 3.161 20 0 CGADHM O=C([O-])Nc1cccc(CN2CCC[C@@H]2c2ccc[nH]2)c1 ZINC000834269578 605605014 /nfs/dbraw/zinc/60/50/14/605605014.db2.gz ZGPKVTJTHJRKOS-OAHLLOKOSA-N -1 3 285.347 3.442 20 0 CGADHM O=C([O-])N[C@@H]1C[C@@H](NCc2ccccc2)c2ccccc21 ZINC000834159050 605790296 /nfs/dbraw/zinc/79/02/96/605790296.db2.gz QZYLVWXVPWTBEJ-HZPDHXFCSA-N -1 3 282.343 3.230 20 0 CGADHM C[C@H]1CCC[C@H](C)N1Cc1cc(C(=O)[O-])ccc1F ZINC000231027906 605833815 /nfs/dbraw/zinc/83/38/15/605833815.db2.gz VQCPPNXIARATOZ-QWRGUYRKSA-N -1 3 265.328 3.287 20 0 CGADHM C[C@@H]1CCCN(Cc2cc(C(=O)[O-])ccc2F)[C@@H]1C ZINC000062752922 605834333 /nfs/dbraw/zinc/83/43/33/605834333.db2.gz KQNFLNXQZOJROO-GHMZBOCLSA-N -1 3 265.328 3.144 20 0 CGADHM C[C@H](c1ccc(F)c(F)c1)N1C[C@@H](CNC(=O)[O-])C[C@H]1C ZINC000833832998 605888297 /nfs/dbraw/zinc/88/82/97/605888297.db2.gz WAYACAPNPZOOGP-GMTAPVOTSA-N -1 3 298.333 3.004 20 0 CGADHM Cc1cc(C)cc(NCc2cc(-c3nnn[n-]3)cs2)c1 ZINC000822196751 606213099 /nfs/dbraw/zinc/21/30/99/606213099.db2.gz VYTKINPZQHKUMJ-UHFFFAOYSA-N -1 3 285.376 3.157 20 0 CGADHM Cc1cc(C)cc(NCc2cc(-c3nn[n-]n3)cs2)c1 ZINC000822196751 606213101 /nfs/dbraw/zinc/21/31/01/606213101.db2.gz VYTKINPZQHKUMJ-UHFFFAOYSA-N -1 3 285.376 3.157 20 0 CGADHM Cc1ccccc1CSc1cccc(-c2nnn[n-]2)c1 ZINC000822361890 606324450 /nfs/dbraw/zinc/32/44/50/606324450.db2.gz KCEQEZYDYWAALD-UHFFFAOYSA-N -1 3 282.372 3.467 20 0 CGADHM Cc1ccccc1CSc1cccc(-c2nn[n-]n2)c1 ZINC000822361890 606324452 /nfs/dbraw/zinc/32/44/52/606324452.db2.gz KCEQEZYDYWAALD-UHFFFAOYSA-N -1 3 282.372 3.467 20 0 CGADHM C[C@@H](Sc1ncccc1-c1nnn[n-]1)c1cccs1 ZINC000820555107 606431366 /nfs/dbraw/zinc/43/13/66/606431366.db2.gz GIGKUBCZMBRJDG-MRVPVSSYSA-N -1 3 289.389 3.177 20 0 CGADHM C[C@@H](Sc1ncccc1-c1nn[n-]n1)c1cccs1 ZINC000820555107 606431368 /nfs/dbraw/zinc/43/13/68/606431368.db2.gz GIGKUBCZMBRJDG-MRVPVSSYSA-N -1 3 289.389 3.177 20 0 CGADHM Cc1ccc(Cl)cc1NCc1ccccc1-c1nnn[n-]1 ZINC000822239951 606661429 /nfs/dbraw/zinc/66/14/29/606661429.db2.gz LYCDDXYAJAKLNF-UHFFFAOYSA-N -1 3 299.765 3.441 20 0 CGADHM Cc1ccc(Cl)cc1NCc1ccccc1-c1nn[n-]n1 ZINC000822239951 606661430 /nfs/dbraw/zinc/66/14/30/606661430.db2.gz LYCDDXYAJAKLNF-UHFFFAOYSA-N -1 3 299.765 3.441 20 0 CGADHM Cc1ccc(Cl)cc1NCc1cccc(-c2nnn[n-]2)c1 ZINC000822239786 606661671 /nfs/dbraw/zinc/66/16/71/606661671.db2.gz DNZWOKHVOQWJQY-UHFFFAOYSA-N -1 3 299.765 3.441 20 0 CGADHM Cc1ccc(Cl)cc1NCc1cccc(-c2nn[n-]n2)c1 ZINC000822239786 606661672 /nfs/dbraw/zinc/66/16/72/606661672.db2.gz DNZWOKHVOQWJQY-UHFFFAOYSA-N -1 3 299.765 3.441 20 0 CGADHM COCC[C@H](C)S[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821685453 606695111 /nfs/dbraw/zinc/69/51/11/606695111.db2.gz DFIAWEIZVCWUHF-WDEREUQCSA-N -1 3 292.408 3.086 20 0 CGADHM COCC[C@H](C)S[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821685453 606695112 /nfs/dbraw/zinc/69/51/12/606695112.db2.gz DFIAWEIZVCWUHF-WDEREUQCSA-N -1 3 292.408 3.086 20 0 CGADHM CSCCCS[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821971083 606849680 /nfs/dbraw/zinc/84/96/80/606849680.db2.gz XHIZBZOKPSNMHC-JTQLQIEISA-N -1 3 294.449 3.414 20 0 CGADHM CSCCCS[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821971083 606849678 /nfs/dbraw/zinc/84/96/78/606849678.db2.gz XHIZBZOKPSNMHC-JTQLQIEISA-N -1 3 294.449 3.414 20 0 CGADHM CCCCCNc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000825276135 608219617 /nfs/dbraw/zinc/21/96/17/608219617.db2.gz QVSXHQRTMVSRSO-UHFFFAOYSA-N -1 3 282.351 3.017 20 0 CGADHM CCCCCNc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000825276135 608219619 /nfs/dbraw/zinc/21/96/19/608219619.db2.gz QVSXHQRTMVSRSO-UHFFFAOYSA-N -1 3 282.351 3.017 20 0 CGADHM Cc1cc(C)cc(NCc2cccc(-c3nnn[n-]3)c2F)c1 ZINC000826264088 608479212 /nfs/dbraw/zinc/47/92/12/608479212.db2.gz BORXPWDCTCKGPM-UHFFFAOYSA-N -1 3 297.337 3.235 20 0 CGADHM Cc1cc(C)cc(NCc2cccc(-c3nn[n-]n3)c2F)c1 ZINC000826264088 608479214 /nfs/dbraw/zinc/47/92/14/608479214.db2.gz BORXPWDCTCKGPM-UHFFFAOYSA-N -1 3 297.337 3.235 20 0 CGADHM Cc1cccc(CNc2ccc(-c3nn[n-]n3)cc2)c1C ZINC000826298513 608868534 /nfs/dbraw/zinc/86/85/34/608868534.db2.gz WMGVQBBQCVDACE-UHFFFAOYSA-N -1 3 279.347 3.096 20 0 CGADHM Cc1c(NCc2ccc(Cl)o2)cccc1-c1nnn[n-]1 ZINC000826242431 609486328 /nfs/dbraw/zinc/48/63/28/609486328.db2.gz OGTLTFWSKKUUKF-UHFFFAOYSA-N -1 3 289.726 3.034 20 0 CGADHM Cc1c(NCc2ccc(Cl)o2)cccc1-c1nn[n-]n1 ZINC000826242431 609486330 /nfs/dbraw/zinc/48/63/30/609486330.db2.gz OGTLTFWSKKUUKF-UHFFFAOYSA-N -1 3 289.726 3.034 20 0 CGADHM Cc1cnc(CNC[C@@H](C(=O)[O-])C2CCCCCC2)s1 ZINC000900048280 620752682 /nfs/dbraw/zinc/75/26/82/620752682.db2.gz FKBOFTHAALMONT-CYBMUJFWSA-N -1 3 296.436 3.212 20 0 CGADHM Cc1nc(CNC[C@H](C(=O)[O-])C2CCCCCC2)cs1 ZINC000900048324 620752746 /nfs/dbraw/zinc/75/27/46/620752746.db2.gz GJJZCBFEZJYIDN-AWEZNQCLSA-N -1 3 296.436 3.212 20 0 CGADHM O=C(CC1CCC(C(F)(F)F)CC1)[N-]OC1CCC1 ZINC000812794176 617855869 /nfs/dbraw/zinc/85/58/69/617855869.db2.gz TZDKJRLKJOWZPG-UHFFFAOYSA-N -1 3 279.302 3.346 20 0 CGADHM CCCO[N-]C(=O)c1c(F)cc(C(F)(F)F)cc1F ZINC000844089239 617864992 /nfs/dbraw/zinc/86/49/92/617864992.db2.gz ZQPLMAVSSDMSQQ-UHFFFAOYSA-N -1 3 283.196 3.055 20 0 CGADHM O=C(Nc1ncccc1[O-])c1cc2c(cccc2F)s1 ZINC000022263049 618067894 /nfs/dbraw/zinc/06/78/94/618067894.db2.gz MEZBPALPYBWKJQ-UHFFFAOYSA-N -1 3 288.303 3.393 20 0 CGADHM [O-]c1ccc(Br)cc1/C=N/C1CC=CC1 ZINC000159849081 618743692 /nfs/dbraw/zinc/74/36/92/618743692.db2.gz KWPZDHUFKHWUII-RIYZIHGNSA-N -1 3 266.138 3.292 20 0 CGADHM Cc1cscc1CNCc1ccc(C(=O)[O-])s1 ZINC000235816475 618827886 /nfs/dbraw/zinc/82/78/86/618827886.db2.gz MJDFOMICAGZQHP-UHFFFAOYSA-N -1 3 267.375 3.106 20 0 CGADHM CCn1nc(C)c(C/N=C/c2cc(Cl)ccc2[O-])c1C ZINC000066255545 618836142 /nfs/dbraw/zinc/83/61/42/618836142.db2.gz LYQLGDQIBDATJM-CAOOACKPSA-N -1 3 291.782 3.498 20 0 CGADHM CCCC[C@@H](C)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC000314709751 619235637 /nfs/dbraw/zinc/23/56/37/619235637.db2.gz WGPHOKFEWNGDQY-RKDXNWHRSA-N -1 3 256.371 3.071 20 0 CGADHM Cc1noc(C(F)F)c1C(=O)[N-]c1nc(CC(C)C)co1 ZINC000894438178 619536768 /nfs/dbraw/zinc/53/67/68/619536768.db2.gz WZFKSHDAJPGRLW-UHFFFAOYSA-N -1 3 299.277 3.359 20 0 CGADHM O=C(CCCC1CCCCC1)[N-]OCc1ccccn1 ZINC000909521578 619828267 /nfs/dbraw/zinc/82/82/67/619828267.db2.gz OSVRFHKUKTWUHV-UHFFFAOYSA-N -1 3 276.380 3.380 20 0 CGADHM [O-]c1ccc(F)c(CNC[C@H]2CCCC3(CCC3)O2)c1F ZINC000896919509 620101017 /nfs/dbraw/zinc/10/10/17/620101017.db2.gz YRBHGDPTBWCTEK-LLVKDONJSA-N -1 3 297.345 3.252 20 0 CGADHM [O-]c1ccc(F)c(CNC[C@@H]2CCCC3(CCC3)O2)c1F ZINC000896919510 620101082 /nfs/dbraw/zinc/10/10/82/620101082.db2.gz YRBHGDPTBWCTEK-NSHDSACASA-N -1 3 297.345 3.252 20 0 CGADHM CCc1cccc(C(=O)N(CC(F)F)C2CCC2)c1[O-] ZINC000925255670 620267528 /nfs/dbraw/zinc/26/75/28/620267528.db2.gz WZMUPMOXVNAAQW-UHFFFAOYSA-N -1 3 283.318 3.214 20 0 CGADHM C[C@H]1[C@H](C(F)(F)F)CCN1Cc1cccc(C(=O)[O-])c1 ZINC000263405439 620316656 /nfs/dbraw/zinc/31/66/56/620316656.db2.gz JLZPJWYJMXYUPS-JOYOIKCWSA-N -1 3 287.281 3.158 20 0 CGADHM CCCC[C@H](CC)CC(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898213103 620488165 /nfs/dbraw/zinc/48/81/65/620488165.db2.gz SUGISBAENDJPMA-QWHCGFSZSA-N -1 3 293.411 3.038 20 0 CGADHM Cc1[n-]n(-c2cc(F)c(F)c(F)c2)c(=O)c1C(C)C ZINC000118399111 620524759 /nfs/dbraw/zinc/52/47/59/620524759.db2.gz NWGFGOMEVBZDDY-NSHDSACASA-N -1 3 270.254 3.099 20 0 CGADHM Cc1cccc(CO[N-]C(=O)C(C)(C)C2CCCC2)n1 ZINC000898933682 620610458 /nfs/dbraw/zinc/61/04/58/620610458.db2.gz FEPDULJXQLGIML-UHFFFAOYSA-N -1 3 276.380 3.154 20 0 CGADHM COCc1c(C)cc(C)c(C=Cc2nccc(=O)[n-]2)c1C ZINC000901478177 620891801 /nfs/dbraw/zinc/89/18/01/620891801.db2.gz UYHWAGZITGBVJS-AATRIKPKSA-N -1 3 284.359 3.424 20 0 CGADHM O=C([O-])CCC1CCN(Cc2ccc(C(F)F)nc2)CC1 ZINC000901496632 620902315 /nfs/dbraw/zinc/90/23/15/620902315.db2.gz WNHPBTZMSIRJCC-UHFFFAOYSA-N -1 3 298.333 3.096 20 0 CGADHM Cc1ccc(CS[C@@H](C)c2nc(C)cc(=O)[n-]2)o1 ZINC000901673785 620963847 /nfs/dbraw/zinc/96/38/47/620963847.db2.gz ZMXAHYDAZBWKPU-JTQLQIEISA-N -1 3 264.350 3.386 20 0 CGADHM CCCc1ccc(CN2CCCC[C@@H]2C(=O)[O-])s1 ZINC000901966013 621081526 /nfs/dbraw/zinc/08/15/26/621081526.db2.gz BWJXLHUGFDUCTK-CYBMUJFWSA-N -1 3 267.394 3.140 20 0 CGADHM Cc1occc1CN1C[C@@H](C2CCCCC2)C[C@H]1C(=O)[O-] ZINC000902048480 621116704 /nfs/dbraw/zinc/11/67/04/621116704.db2.gz WKSPLEBORRPVLX-HOTGVXAUSA-N -1 3 291.391 3.443 20 0 CGADHM Cc1nsc(C)c1COc1ccc2c([O-])coc2c1C ZINC000902618124 621386830 /nfs/dbraw/zinc/38/68/30/621386830.db2.gz VGDFVGIBVVYNKO-UHFFFAOYSA-N -1 3 289.356 3.222 20 0 CGADHM C[C@H](NCc1nc2c(s1)CCC2)c1cccc([O-])c1F ZINC000903190603 621628156 /nfs/dbraw/zinc/62/81/56/621628156.db2.gz BTVVELUJVRZPOD-VIFPVBQESA-N -1 3 292.379 3.327 20 0 CGADHM O=C([O-])c1cccc(Cl)c1CN1CCC[C@@H](CF)C1 ZINC000903607899 621771580 /nfs/dbraw/zinc/77/15/80/621771580.db2.gz OQENKCJIYVPJEU-JTQLQIEISA-N -1 3 285.746 3.220 20 0 CGADHM CC[C@H](C)[C@@H](C(=O)[O-])N(C)Cc1cc2ccccc2o1 ZINC000903597348 621774160 /nfs/dbraw/zinc/77/41/60/621774160.db2.gz LTJSSLMUIKVVOU-NHYWBVRUSA-N -1 3 275.348 3.364 20 0 CGADHM O=C([O-])c1ccc(CN[C@@H]2CCc3cc(F)ccc32)s1 ZINC000903677254 621787191 /nfs/dbraw/zinc/78/71/91/621787191.db2.gz PQERAHMYKUMQDU-CYBMUJFWSA-N -1 3 291.347 3.363 20 0 CGADHM O=C([O-])c1ccc(CN[C@H]2CCc3cc(F)ccc32)s1 ZINC000903677255 621787535 /nfs/dbraw/zinc/78/75/35/621787535.db2.gz PQERAHMYKUMQDU-ZDUSSCGKSA-N -1 3 291.347 3.363 20 0 CGADHM CC[C@H](CNCc1csc(-c2ccsc2)n1)C(=O)[O-] ZINC000903704883 621794091 /nfs/dbraw/zinc/79/40/91/621794091.db2.gz NOCHDSPYRPYOMV-SECBINFHSA-N -1 3 296.417 3.072 20 0 CGADHM CC[C@@H](CNCc1c(Cl)cccc1Cl)C(=O)[O-] ZINC000903705807 621794854 /nfs/dbraw/zinc/79/48/54/621794854.db2.gz YYYKJKUMIUBPCJ-QMMMGPOBSA-N -1 3 276.163 3.194 20 0 CGADHM CCCSC[C@H](NCc1cscc1Cl)C(=O)[O-] ZINC000903998582 621845775 /nfs/dbraw/zinc/84/57/75/621845775.db2.gz UWOZSVKYVRTCSH-JTQLQIEISA-N -1 3 293.841 3.088 20 0 CGADHM [O-]c1cc(-c2cnn([C@H]3CCCCO3)c2)ccc1F ZINC000904810920 621987051 /nfs/dbraw/zinc/98/70/51/621987051.db2.gz RYKMZTXSPYDWHI-CQSZACIVSA-N -1 3 262.284 3.094 20 0 CGADHM Cc1nc(C(C)C)ccc1CN[C@H](C(=O)[O-])c1ccccc1 ZINC000905372832 622065383 /nfs/dbraw/zinc/06/53/83/622065383.db2.gz MCNUYQPCSYGJJP-KRWDZBQOSA-N -1 3 298.386 3.429 20 0 CGADHM CC[C@H](NCc1ccc(C(=O)[O-])cn1)c1ccc(C)cc1 ZINC000905724398 622100299 /nfs/dbraw/zinc/10/02/99/622100299.db2.gz JZKWYUHGUDKMAQ-INIZCTEOSA-N -1 3 284.359 3.329 20 0 CGADHM Cc1ccccc1[C@H](NCc1ccc(C(=O)[O-])cn1)C1CC1 ZINC000905725740 622100539 /nfs/dbraw/zinc/10/05/39/622100539.db2.gz XGVOFZWWOLGODX-QGZVFWFLSA-N -1 3 296.370 3.329 20 0 CGADHM C[C@H](NCCC(C)(C)C(=O)[O-])c1c(F)cccc1F ZINC000905729838 622101644 /nfs/dbraw/zinc/10/16/44/622101644.db2.gz WSRUVSIPZFZTQQ-VIFPVBQESA-N -1 3 271.307 3.116 20 0 CGADHM Cc1cc(F)ccc1[C@H](C)NCc1ccoc1C(=O)[O-] ZINC000905728870 622101685 /nfs/dbraw/zinc/10/16/85/622101685.db2.gz SJSOVSULFVNZIS-JTQLQIEISA-N -1 3 277.295 3.276 20 0 CGADHM CC(C)C1(CN2CCOc3c(cccc3C(=O)[O-])C2)CC1 ZINC000905741336 622103274 /nfs/dbraw/zinc/10/32/74/622103274.db2.gz USNSHEBOIYTPQJ-UHFFFAOYSA-N -1 3 289.375 3.015 20 0 CGADHM CCC[C@@H](C)c1noc(-c2cc(=O)[n-]c(C3CC3)n2)n1 ZINC000906103842 622151229 /nfs/dbraw/zinc/15/12/29/622151229.db2.gz ZZODYIXCVYGMRK-MRVPVSSYSA-N -1 3 274.324 3.013 20 0 CGADHM CC(=O)c1ccc(C(=O)N2CC=CC23CCCCC3)cc1[O-] ZINC000912472547 622660682 /nfs/dbraw/zinc/66/06/82/622660682.db2.gz WTUOXMNSRWVSKA-UHFFFAOYSA-N -1 3 299.370 3.310 20 0 CGADHM O=C(OCc1ccccc1F)c1cc(-c2ccco2)[n-]n1 ZINC000913298594 622754336 /nfs/dbraw/zinc/75/43/36/622754336.db2.gz NOXUBEHNXHAUCY-UHFFFAOYSA-N -1 3 286.262 3.166 20 0 CGADHM O=C(OCc1ccccc1F)c1cc(-c2ccco2)n[n-]1 ZINC000913298594 622754342 /nfs/dbraw/zinc/75/43/42/622754342.db2.gz NOXUBEHNXHAUCY-UHFFFAOYSA-N -1 3 286.262 3.166 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])c1ccc(Cl)nc1 ZINC000057681288 622881915 /nfs/dbraw/zinc/88/19/15/622881915.db2.gz XYJJDPWBEARLAH-UHFFFAOYSA-N -1 3 283.114 3.346 20 0 CGADHM CCO[C@H](c1noc(-c2ccccc2[O-])n1)C(C)C ZINC000157409509 622902883 /nfs/dbraw/zinc/90/28/83/622902883.db2.gz SHIYLJQUTUJZRL-LBPRGKRZSA-N -1 3 262.309 3.176 20 0 CGADHM O=C(NNc1cccc(C(F)(F)F)c1)c1ccccc1[O-] ZINC000058573488 622935262 /nfs/dbraw/zinc/93/52/62/622935262.db2.gz FZVKPJYPTQXJSF-UHFFFAOYSA-N -1 3 296.248 3.168 20 0 CGADHM O=C(CC1CCC1)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000152240602 623635003 /nfs/dbraw/zinc/63/50/03/623635003.db2.gz FLLXGXANYLQBKH-UHFFFAOYSA-N -1 3 287.281 3.443 20 0 CGADHM C[C@@H](N[C@@H](C)Cc1ccsc1)c1ncc(C(=O)[O-])s1 ZINC000314909525 623665008 /nfs/dbraw/zinc/66/50/08/623665008.db2.gz GHEFOATVSCAXGZ-DTWKUNHWSA-N -1 3 296.417 3.185 20 0 CGADHM Cc1ccc(C(=O)Nc2ccc(N(C)C)c(C)c2)c([O-])c1 ZINC000915154219 623905158 /nfs/dbraw/zinc/90/51/58/623905158.db2.gz AIAMMXLZWAWIBS-UHFFFAOYSA-N -1 3 284.359 3.327 20 0 CGADHM CC(C)C(C)(C)CSCc1nc2c(c(=O)[n-]1)COCC2 ZINC000919267942 624397714 /nfs/dbraw/zinc/39/77/14/624397714.db2.gz DZDVWADRSZMFAG-UHFFFAOYSA-N -1 3 296.436 3.170 20 0 CGADHM Cc1ccc(CC(=O)[N-]OCc2cc(F)ccc2C)cc1 ZINC000187132908 626139412 /nfs/dbraw/zinc/13/94/12/626139412.db2.gz DZNRJTGYRWLABR-UHFFFAOYSA-N -1 3 287.334 3.233 20 0 CGADHM CC[C@]1(C(=O)[O-])CCCN(Cc2c(F)ccc(C)c2F)C1 ZINC000923473317 626156975 /nfs/dbraw/zinc/15/69/75/626156975.db2.gz SZUJYCYWRIIKGG-INIZCTEOSA-N -1 3 297.345 3.350 20 0 CGADHM CC[C@@H](NC(=O)c1ccc(N)cc1[O-])c1ccc(C)cc1 ZINC000751443280 626390128 /nfs/dbraw/zinc/39/01/28/626390128.db2.gz JARFBGDWKBNDAC-OAHLLOKOSA-N -1 3 284.359 3.164 20 0 CGADHM Cc1ccc(COC(=O)c2cc(F)cc(Cl)c2[O-])nc1 ZINC000751732591 626402291 /nfs/dbraw/zinc/40/22/91/626402291.db2.gz RGQKCHGOTBRVTD-UHFFFAOYSA-N -1 3 295.697 3.245 20 0 CGADHM CC[C@H](C)C(=O)COC(=O)c1cc2ccsc2[n-]1 ZINC000756352792 626694993 /nfs/dbraw/zinc/69/49/93/626694993.db2.gz QNACRLABVQZUIS-QMMMGPOBSA-N -1 3 265.334 3.001 20 0 CGADHM CC(C)(C)OCCCOC(=O)c1cc(-c2ccco2)[n-]n1 ZINC000757039918 626749468 /nfs/dbraw/zinc/74/94/68/626749468.db2.gz YZECFIFYUGWPHL-UHFFFAOYSA-N -1 3 292.335 3.032 20 0 CGADHM CC(C)(C)OCCCOC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000757039918 626749470 /nfs/dbraw/zinc/74/94/70/626749470.db2.gz YZECFIFYUGWPHL-UHFFFAOYSA-N -1 3 292.335 3.032 20 0 CGADHM Cc1ccc(N(C)Cc2cc(=O)[n-]c(C3CC3)n2)c(F)c1 ZINC000839648169 626769368 /nfs/dbraw/zinc/76/93/68/626769368.db2.gz LKZWLPRPDJNPIL-UHFFFAOYSA-N -1 3 287.338 3.144 20 0 CGADHM CCC(CC)(CC)Sc1nc2c(cnn2C)c(=O)[n-]1 ZINC000763026064 627136866 /nfs/dbraw/zinc/13/68/66/627136866.db2.gz BMZSSFYBNVLCCB-UHFFFAOYSA-N -1 3 280.397 3.130 20 0 CGADHM O=c1ccnc(C=Cc2ccc(Br)c(F)c2)[n-]1 ZINC000764436200 627207288 /nfs/dbraw/zinc/20/72/88/627207288.db2.gz QOWIQLWBBOTWOZ-RQOWECAXSA-N -1 3 295.111 3.254 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)Cc1ccc2ccccc2c1 ZINC000764551191 627211731 /nfs/dbraw/zinc/21/17/31/627211731.db2.gz DQUHBYHSOYAOBU-CYBMUJFWSA-N -1 3 271.360 3.476 20 0 CGADHM C[C@H]([N-]C(=O)C(F)(F)c1ccccc1F)c1ccccn1 ZINC000765540567 627257732 /nfs/dbraw/zinc/25/77/32/627257732.db2.gz KBFHWYHDDYIEFO-JTQLQIEISA-N -1 3 294.276 3.190 20 0 CGADHM Cc1noc([N-]C(=O)C(F)(F)c2ccccc2F)c1C ZINC000766196011 627302131 /nfs/dbraw/zinc/30/21/31/627302131.db2.gz HJCGNMPJHKHGSE-UHFFFAOYSA-N -1 3 284.237 3.161 20 0 CGADHM C[C@@H](CC(=O)[N-]Oc1ccccc1)c1cccc(F)c1 ZINC000773465525 627886508 /nfs/dbraw/zinc/88/65/08/627886508.db2.gz FSQAALYTQQLYQS-LBPRGKRZSA-N -1 3 273.307 3.430 20 0 CGADHM CC(C)CO[N-]C(=O)[C@H](C)CCCc1ccccc1 ZINC000775781982 628136533 /nfs/dbraw/zinc/13/65/33/628136533.db2.gz QADLEXJJVZFBQY-CQSZACIVSA-N -1 3 263.381 3.349 20 0 CGADHM Cc1noc(C)c1[C@@H](C)CC(=O)[N-]OC1CCCCC1 ZINC000777950668 628313797 /nfs/dbraw/zinc/31/37/97/628313797.db2.gz VHPWXPOMRJLNJQ-JTQLQIEISA-N -1 3 280.368 3.166 20 0 CGADHM Cc1ccc(OCCC(=O)[N-]OC2CCCCC2)cc1C ZINC000777959391 628314947 /nfs/dbraw/zinc/31/49/47/628314947.db2.gz YNFOXKAGWOVATG-UHFFFAOYSA-N -1 3 291.391 3.453 20 0 CGADHM C/C(=C\c1ccc(C)cc1)C(=O)[N-]OCC(F)(F)F ZINC000778907746 628377945 /nfs/dbraw/zinc/37/79/45/628377945.db2.gz ZEBPWUHUXJGYNY-JXMROGBWSA-N -1 3 273.254 3.008 20 0 CGADHM O=C(OC[C@H]1CCC2(CCCC2)O1)c1ccc([O-])cc1 ZINC000782006004 628608935 /nfs/dbraw/zinc/60/89/35/628608935.db2.gz FOERECAJFARAPM-CQSZACIVSA-N -1 3 276.332 3.041 20 0 CGADHM C[C@@H]1C[C@H](CO[N-]C(=O)CCC2CCCCC2)CCO1 ZINC000783025958 628673660 /nfs/dbraw/zinc/67/36/60/628673660.db2.gz CNEHBOTVLAQIIR-UKRRQHHQSA-N -1 3 283.412 3.210 20 0 CGADHM O=C(OCCOc1ccc(F)cc1)c1cc2occc2[n-]1 ZINC000786031028 628908692 /nfs/dbraw/zinc/90/86/92/628908692.db2.gz GVSKOVAWRRRFNW-UHFFFAOYSA-N -1 3 289.262 3.136 20 0 CGADHM O=C(OC[C@@H]1CCCOC1)c1cc2sccc2c([O-])c1 ZINC000786131286 628915421 /nfs/dbraw/zinc/91/54/21/628915421.db2.gz OOGIXMPWJCVUEK-SNVBAGLBSA-N -1 3 292.356 3.190 20 0 CGADHM CCO[N-]C(=O)C[C@@H]1C[C@@H](C(C)C)c2ccccc21 ZINC000786829625 628966151 /nfs/dbraw/zinc/96/61/51/628966151.db2.gz AOVURPLGKBNKPE-WFASDCNBSA-N -1 3 261.365 3.371 20 0 CGADHM CC[C@@H](C)C(=O)COC(=O)CCCc1ccc([O-])c(F)c1 ZINC000787844349 629032589 /nfs/dbraw/zinc/03/25/89/629032589.db2.gz JOMXMIFAANMOFV-LLVKDONJSA-N -1 3 296.338 3.012 20 0 CGADHM CC(C)COC(=O)CCCc1ccc([O-])c(F)c1 ZINC000787845782 629032843 /nfs/dbraw/zinc/03/28/43/629032843.db2.gz SVBJKFALRFTOHS-UHFFFAOYSA-N -1 3 254.301 3.053 20 0 CGADHM CCOC1CC(CC(=O)Nc2ccc(Cl)cc2[O-])C1 ZINC000789832154 629169917 /nfs/dbraw/zinc/16/99/17/629169917.db2.gz NEPVJZSWHSBEGJ-UHFFFAOYSA-N -1 3 283.755 3.189 20 0 CGADHM CC(C)(C)c1cnc(C=Cc2nccc(=O)[n-]2)s1 ZINC000790601968 629219590 /nfs/dbraw/zinc/21/95/90/629219590.db2.gz YQLOZWGQWXTFER-SNAWJCMRSA-N -1 3 261.350 3.107 20 0 CGADHM Cc1ccc(-c2cc(C(=O)OCCCCCF)n[n-]2)o1 ZINC000791745351 629299478 /nfs/dbraw/zinc/29/94/78/629299478.db2.gz RMHZCUYBGFLMHG-UHFFFAOYSA-N -1 3 280.299 3.275 20 0 CGADHM Cc1ccc(-c2cc(C(=O)OCCCCCF)[n-]n2)o1 ZINC000791745351 629299482 /nfs/dbraw/zinc/29/94/82/629299482.db2.gz RMHZCUYBGFLMHG-UHFFFAOYSA-N -1 3 280.299 3.275 20 0 CGADHM Cc1cccc([O-])c1C(=O)NCC[C@@H]1CC1(Cl)Cl ZINC000862259359 629333257 /nfs/dbraw/zinc/33/32/57/629333257.db2.gz ZKUXOBOEWWDNBX-SECBINFHSA-N -1 3 288.174 3.014 20 0 CGADHM CCCCCC(C)(C)CNC(=O)NCc1ncccc1[O-] ZINC000792130711 629339641 /nfs/dbraw/zinc/33/96/41/629339641.db2.gz XHRGVJXAZCCUOT-UHFFFAOYSA-N -1 3 293.411 3.193 20 0 CGADHM O=C(NCc1ccc([O-])c(F)c1)[C@@H](F)CC1CCCCC1 ZINC000793689907 629496088 /nfs/dbraw/zinc/49/60/88/629496088.db2.gz PZWHLUPZXDVTLD-AWEZNQCLSA-N -1 3 297.345 3.456 20 0 CGADHM CC[C@@H](C)CC[C@@H](O)CC(=O)Nc1cccc([O-])c1F ZINC000793747679 629499931 /nfs/dbraw/zinc/49/99/31/629499931.db2.gz YRJLJLQQMMPWCI-GHMZBOCLSA-N -1 3 283.343 3.047 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)CCCOc1cccc(C)c1 ZINC000794851771 629588703 /nfs/dbraw/zinc/58/87/03/629588703.db2.gz LPLCHINIXZXLLF-CYBMUJFWSA-N -1 3 279.380 3.248 20 0 CGADHM CCSc1ccc(CC(=O)[N-]OC[C@H](C)CC)cc1 ZINC000794856077 629589282 /nfs/dbraw/zinc/58/92/82/629589282.db2.gz ZGLQAPPHFPEQRE-GFCCVEGCSA-N -1 3 281.421 3.435 20 0 CGADHM COc1ccccc1CO[N-]C(=O)C[C@H]1CCC(F)(F)C1 ZINC000799097345 630142219 /nfs/dbraw/zinc/14/22/19/630142219.db2.gz MPTVBIUEBLBQGP-LLVKDONJSA-N -1 3 299.317 3.069 20 0 CGADHM CCO[N-]C(=O)C1(Cc2cccc(F)c2)CCCCC1 ZINC000806347405 630559825 /nfs/dbraw/zinc/55/98/25/630559825.db2.gz LUVXLIYHUNKIFN-UHFFFAOYSA-N -1 3 279.355 3.386 20 0 CGADHM [O-]C(=NOCC(F)F)Nc1csc(-c2ccccc2)n1 ZINC000806733046 630574649 /nfs/dbraw/zinc/57/46/49/630574649.db2.gz PLKDMHARAUTUPM-UHFFFAOYSA-N -1 3 299.302 3.128 20 0 CGADHM O=C([N-]OCC(F)F)Nc1csc(-c2ccccc2)n1 ZINC000806733046 630574652 /nfs/dbraw/zinc/57/46/52/630574652.db2.gz PLKDMHARAUTUPM-UHFFFAOYSA-N -1 3 299.302 3.128 20 0 CGADHM O=C([N-][C@@H]1CCCC1(F)F)C(F)(F)c1ccccc1 ZINC000807853247 630600837 /nfs/dbraw/zinc/60/08/37/630600837.db2.gz DEDLUEGRLWKFBH-SNVBAGLBSA-N -1 3 275.245 3.082 20 0 CGADHM CC(C)=CCOC(=O)CCCc1ccc([O-])c(F)c1 ZINC000808540424 630655653 /nfs/dbraw/zinc/65/56/53/630655653.db2.gz VFYDLKCBFDZQBR-UHFFFAOYSA-N -1 3 266.312 3.363 20 0 CGADHM O=C(Cc1csc2ccccc12)[N-]OC/C=C/Cl ZINC000812399090 631244220 /nfs/dbraw/zinc/24/42/20/631244220.db2.gz HOBMGLKCTFKENY-ZZXKWVIFSA-N -1 3 281.764 3.244 20 0 CGADHM O=C(Cc1c(Cl)cccc1Cl)[N-]OC/C=C\Cl ZINC000812408608 631247923 /nfs/dbraw/zinc/24/79/23/631247923.db2.gz QJZRBNSFCRKCQT-DJWKRKHSSA-N -1 3 294.565 3.336 20 0 CGADHM O=C(C[C@@H]1CCCc2ccccc21)[N-]OC1CCC1 ZINC000812795222 631313782 /nfs/dbraw/zinc/31/37/82/631313782.db2.gz YMZGQSLEOXONBC-ZDUSSCGKSA-N -1 3 259.349 3.097 20 0 CGADHM CCCc1ccc(NC(=O)c2ccc(C(=O)OC)[n-]2)cc1 ZINC000814251906 631562083 /nfs/dbraw/zinc/56/20/83/631562083.db2.gz WYCXWUBUCKYPDA-UHFFFAOYSA-N -1 3 286.331 3.006 20 0 CGADHM O=C(NC12CCC(CC1)C2)c1cc([O-])ccc1Cl ZINC000816071691 631872084 /nfs/dbraw/zinc/87/20/84/631872084.db2.gz GAVAFTKWNQFZTJ-UHFFFAOYSA-N -1 3 265.740 3.108 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)[C@@H](C)Cn1ccc2ccccc21 ZINC000816975695 632065897 /nfs/dbraw/zinc/06/58/97/632065897.db2.gz MQJPZTYAMUWEIV-KBPBESRZSA-N -1 3 288.391 3.371 20 0 CGADHM COCC(C)(C)N(C)C(=O)c1cc2sccc2c([O-])c1 ZINC000817031114 632072824 /nfs/dbraw/zinc/07/28/24/632072824.db2.gz PLZXKKMUEPFURR-UHFFFAOYSA-N -1 3 293.388 3.104 20 0 CGADHM COc1ccc(SCCC(=O)[N-]OCCC2CC2)cc1 ZINC000817372459 632132627 /nfs/dbraw/zinc/13/26/27/632132627.db2.gz KXKJWRKMUARYKI-UHFFFAOYSA-N -1 3 295.404 3.025 20 0 CGADHM CC(C)=C[C@H]1[C@H](C(=O)[N-]OCCC2CC2)C1(C)C ZINC000817372188 632133794 /nfs/dbraw/zinc/13/37/94/632133794.db2.gz GGLOIXUDXUAILD-QWHCGFSZSA-N -1 3 251.370 3.073 20 0 CGADHM O=C(CCc1cnc2ccccc2c1)[N-]OCCC1CC1 ZINC000817383014 632134997 /nfs/dbraw/zinc/13/49/97/632134997.db2.gz BLPKBSSPRHYEHC-UHFFFAOYSA-N -1 3 284.359 3.015 20 0 CGADHM O=C(CCCCC(=O)c1ccccc1)[N-]OCCC1CC1 ZINC000817420879 632147844 /nfs/dbraw/zinc/14/78/44/632147844.db2.gz DSSFVQBXRXLXOF-UHFFFAOYSA-N -1 3 289.375 3.278 20 0 CGADHM CCCOc1ccc(CCC(=O)[N-]OCCC2CC2)cc1 ZINC000817429727 632152970 /nfs/dbraw/zinc/15/29/70/632152970.db2.gz DIOBFDDVEBAGLF-UHFFFAOYSA-N -1 3 291.391 3.256 20 0 CGADHM CN(CCC1CCCCC1)C(=O)c1ccc(N)cc1[O-] ZINC000817932120 632236027 /nfs/dbraw/zinc/23/60/27/632236027.db2.gz QINIYRAEVWFXHZ-UHFFFAOYSA-N -1 3 276.380 3.017 20 0 CGADHM C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)c1ccc(N)cc1[O-] ZINC000817997360 632275771 /nfs/dbraw/zinc/27/57/71/632275771.db2.gz NLFJDZKWWZNOSH-PIGZYNQJSA-N -1 3 296.370 3.028 20 0 CGADHM CCC1(CC)CCCN(C(=O)c2ccc(N)cc2[O-])CC1 ZINC000818000027 632275991 /nfs/dbraw/zinc/27/59/91/632275991.db2.gz CRTOSRWIKIYMPU-UHFFFAOYSA-N -1 3 290.407 3.407 20 0 CGADHM O=C(Nc1ccc2c(c1)CCC2)c1[n-]cnc1C(F)(F)F ZINC000818033052 632280439 /nfs/dbraw/zinc/28/04/39/632280439.db2.gz IGHALCWZQOGNSZ-UHFFFAOYSA-N -1 3 295.264 3.170 20 0 CGADHM O=C(Nc1ccc2c(c1)CCC2)c1nc[n-]c1C(F)(F)F ZINC000818033052 632280442 /nfs/dbraw/zinc/28/04/42/632280442.db2.gz IGHALCWZQOGNSZ-UHFFFAOYSA-N -1 3 295.264 3.170 20 0 CGADHM O=C(C[C@H]1CCCC1(F)F)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000820176098 632582558 /nfs/dbraw/zinc/58/25/58/632582558.db2.gz YUKHJACSGWWXJO-MRVPVSSYSA-N -1 3 295.289 3.033 20 0 CGADHM O=C([N-]O[C@@H]1CCCCO1)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000822923495 633039681 /nfs/dbraw/zinc/03/96/81/633039681.db2.gz BLXVZCBSBLAXST-BZUAXINKSA-N -1 3 289.375 3.145 20 0 CGADHM CC(=O)CN(C(=O)c1cc2sccc2c([O-])c1)C(C)C ZINC000868597838 633340851 /nfs/dbraw/zinc/34/08/51/633340851.db2.gz VEQVRQPHFHXCBA-UHFFFAOYSA-N -1 3 291.372 3.047 20 0 CGADHM CCCC[C@@](C)(F)C(=O)NCc1ccc([O-])c(F)c1 ZINC000830548737 633870319 /nfs/dbraw/zinc/87/03/19/633870319.db2.gz JSXXDJOCDSIUNF-CQSZACIVSA-N -1 3 271.307 3.066 20 0 CGADHM CCc1[n-]n(C[C@H]2CCCC2(F)F)c(=O)c1C(C)C ZINC000871962826 633930347 /nfs/dbraw/zinc/93/03/47/633930347.db2.gz HIWIALIEPVAOSQ-ZYHUDNBSSA-N -1 3 272.339 3.302 20 0 CGADHM Cc1cncc(CN[C@H](C)c2cccc([O-])c2F)c1 ZINC000872050714 633974250 /nfs/dbraw/zinc/97/42/50/633974250.db2.gz CZZUSDWHKVUMJL-LLVKDONJSA-N -1 3 260.312 3.086 20 0 CGADHM CC[C@H](N[C@@H](C)c1cccc([O-])c1F)C(=O)OC(C)(C)C ZINC000872082666 634006164 /nfs/dbraw/zinc/00/61/64/634006164.db2.gz ZJQICBLNKBUUJQ-JQWIXIFHSA-N -1 3 297.370 3.302 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CCC(F)(C3CC3)CC2)c1 ZINC000834573494 634186729 /nfs/dbraw/zinc/18/67/29/634186729.db2.gz OUYQWFULMARFCY-UHFFFAOYSA-N -1 3 291.366 3.309 20 0 CGADHM CCc1cc(NCc2ccc([O-])c(Cl)c2)nc(C)n1 ZINC000872725655 634197810 /nfs/dbraw/zinc/19/78/10/634197810.db2.gz HSNGBGPUGLAZTI-UHFFFAOYSA-N -1 3 277.755 3.319 20 0 CGADHM CSc1ccc([O-])c(C(=O)N[C@H]2CCS[C@@H](C)C2)c1 ZINC000834625969 634201716 /nfs/dbraw/zinc/20/17/16/634201716.db2.gz GGFRLIHVQVUIOL-UWVGGRQHSA-N -1 3 297.445 3.128 20 0 CGADHM O=C(OCc1cc(=O)[n-]c(C2CC2)n1)C1CCCCCC1 ZINC000837494253 634919565 /nfs/dbraw/zinc/91/95/65/634919565.db2.gz YJDXRPDQSFIYBL-UHFFFAOYSA-N -1 3 290.363 3.073 20 0 CGADHM CC(C)(C)c1nc(C=Cc2ccc(F)nc2)cc(=O)[n-]1 ZINC000840719083 635042198 /nfs/dbraw/zinc/04/21/98/635042198.db2.gz IAWLHGTXDKGQFI-XQRVVYSFSA-N -1 3 273.311 3.184 20 0 CGADHM O=C(CCC1CCCCC1)[N-]OCCC[C@@H]1CCOC1 ZINC000842647810 635425787 /nfs/dbraw/zinc/42/57/87/635425787.db2.gz GIKYUZNRRISLRY-OAHLLOKOSA-N -1 3 283.412 3.211 20 0 CGADHM CCCO[N-]C(=O)CCc1ccc(-c2ccccc2F)o1 ZINC000844080501 635815153 /nfs/dbraw/zinc/81/51/53/635815153.db2.gz KGHQUQRKXFLMKX-UHFFFAOYSA-N -1 3 291.322 3.476 20 0 CGADHM C/C(=C/C(=O)Nc1cccc([O-])c1F)C(C)(C)C ZINC000128355284 635973726 /nfs/dbraw/zinc/97/37/26/635973726.db2.gz GDXKSLHEZFHTAP-HJWRWDBZSA-N -1 3 251.301 3.462 20 0 CGADHM CC[C@H]1CN(C(=O)c2cc([O-])c3ccccc3c2)[C@@H](C)CO1 ZINC000846434754 636185286 /nfs/dbraw/zinc/18/52/86/636185286.db2.gz SDIZBFXOMACBMS-WFASDCNBSA-N -1 3 299.370 3.185 20 0 CGADHM C[C@H](COCC1CC1)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000846529784 636193465 /nfs/dbraw/zinc/19/34/65/636193465.db2.gz URIKPTHCIJDBRP-GFCCVEGCSA-N -1 3 299.370 3.090 20 0 CGADHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2coc(C)c2)cc1 ZINC000187244043 636474762 /nfs/dbraw/zinc/47/47/62/636474762.db2.gz NWVGBANEGIGPHD-OAHLLOKOSA-N -1 3 296.326 3.112 20 0 CGADHM Cc1cccc(C(=O)Nc2ccnn2C2CCCC2)c1[O-] ZINC000849189469 636769184 /nfs/dbraw/zinc/76/91/84/636769184.db2.gz OBORKDKKWONFJK-UHFFFAOYSA-N -1 3 285.347 3.265 20 0 CGADHM Cc1cccc2c1CCC[C@@H]2NC(=O)c1ccc(N)cc1[O-] ZINC000852871187 637719157 /nfs/dbraw/zinc/71/91/57/637719157.db2.gz WNFDUKGKOATGMZ-INIZCTEOSA-N -1 3 296.370 3.090 20 0 CGADHM CC(C)c1ncc(CN2CCC(CCC(=O)[O-])CC2)s1 ZINC000854241510 638029962 /nfs/dbraw/zinc/02/99/62/638029962.db2.gz OAHBCAOJNJACQV-UHFFFAOYSA-N -1 3 296.436 3.343 20 0 CGADHM COc1ccc([C@@H]2C[C@H]2CC(=O)[N-]OCCC2CC2)cc1 ZINC000854640418 638080755 /nfs/dbraw/zinc/08/07/55/638080755.db2.gz SSCNKJIHWGZNLY-HOCLYGCPSA-N -1 3 289.375 3.037 20 0 CGADHM CC[C@H](Cc1ccc(F)cc1)[N-]C(=O)C(F)(F)C(F)F ZINC000855213888 638158651 /nfs/dbraw/zinc/15/86/51/638158651.db2.gz SNTCWEIMHBBIFW-SNVBAGLBSA-N -1 3 295.251 3.163 20 0 CGADHM CC[C@@H](Cc1ccc(F)cc1)[N-]C(=O)C(F)(F)C(F)F ZINC000855213887 638159026 /nfs/dbraw/zinc/15/90/26/638159026.db2.gz SNTCWEIMHBBIFW-JTQLQIEISA-N -1 3 295.251 3.163 20 0 CGADHM C[C@@H](CC(=O)[N-]OCC1CCC1)c1ccc(F)cc1 ZINC000856346554 638347895 /nfs/dbraw/zinc/34/78/95/638347895.db2.gz FEOWDSSGKGUWDH-NSHDSACASA-N -1 3 265.328 3.167 20 0 CGADHM C[C@@]1(C(=O)[N-]OCC2CCC2)CCc2ccccc2C1 ZINC000856348126 638349056 /nfs/dbraw/zinc/34/90/56/638349056.db2.gz QEXWTZSXIINDBS-QGZVFWFLSA-N -1 3 273.376 3.030 20 0 CGADHM Cc1cnc(CN[C@H](C)c2cc([O-])cc(F)c2)s1 ZINC000925150978 638461916 /nfs/dbraw/zinc/46/19/16/638461916.db2.gz GTMQVHAVBZKNOE-SECBINFHSA-N -1 3 266.341 3.147 20 0 CGADHM Cc1oc(C(C)C)nc1C(=O)[N-]c1ccnc(F)c1F ZINC000857696239 638555234 /nfs/dbraw/zinc/55/52/34/638555234.db2.gz JNJIDQAZEQSICU-UHFFFAOYSA-N -1 3 281.262 3.032 20 0 CGADHM O=c1nc(Cl)cc(N2CC3(CC3)c3ccccc32)[n-]1 ZINC000858419830 638711378 /nfs/dbraw/zinc/71/13/78/638711378.db2.gz FGJWBQBWBWRMLK-UHFFFAOYSA-N -1 3 273.723 3.019 20 0 CGADHM CCc1ccccc1CC(=O)[N-]OCc1ccc(F)cc1 ZINC000188584058 640142777 /nfs/dbraw/zinc/14/27/77/640142777.db2.gz HZRNSNYLKSYTNL-UHFFFAOYSA-N -1 3 287.334 3.179 20 0 CGADHM C[C@@H](NCc1c([O-])ccc(Cl)c1F)c1ccccn1 ZINC000190674695 640260137 /nfs/dbraw/zinc/26/01/37/640260137.db2.gz IPMAXFNRLNYOOR-SECBINFHSA-N -1 3 280.730 3.431 20 0 CGADHM [O-]c1ccc(Cl)c(F)c1CNCc1ccco1 ZINC000190673617 640260718 /nfs/dbraw/zinc/26/07/18/640260718.db2.gz XHVDFNZZPJKGHM-UHFFFAOYSA-N -1 3 255.676 3.068 20 0 CGADHM Cc1ncc(COC(=O)c2cc(Cl)c(Cl)[n-]2)s1 ZINC000194273053 640522508 /nfs/dbraw/zinc/52/25/08/640522508.db2.gz JHNIMRIDDVHVHR-UHFFFAOYSA-N -1 3 291.159 3.443 20 0 CGADHM O=C(Nc1cc([O-])cc(Cl)c1)c1cc2n[nH]cc2s1 ZINC001155554238 805591241 /nfs/dbraw/zinc/59/12/41/805591241.db2.gz RZGMIGUBSILOBW-UHFFFAOYSA-N -1 3 293.735 3.236 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2cc(F)c3ncccc3c2)n1 ZINC001156123955 805655545 /nfs/dbraw/zinc/65/55/45/805655545.db2.gz ZLGZDESDBZRYRL-UHFFFAOYSA-N -1 3 297.289 3.035 20 0 CGADHM NC(=O)c1ccc(-c2ccc([O-])c(C(F)(F)F)c2)cc1 ZINC001250611893 805723075 /nfs/dbraw/zinc/72/30/75/805723075.db2.gz UDDAIFFSNPARCX-UHFFFAOYSA-N -1 3 281.233 3.177 20 0 CGADHM CC(=O)Nc1ccc2[nH]c(-c3ccc([O-])cc3F)nc2c1 ZINC001250846350 805787597 /nfs/dbraw/zinc/78/75/97/805787597.db2.gz TYBGHZPSZWCAHB-UHFFFAOYSA-N -1 3 285.278 3.033 20 0 CGADHM Cc1cc2[nH]c(-c3ccncc3[O-])nc2c(Cl)c1 ZINC001250857151 805789608 /nfs/dbraw/zinc/78/96/08/805789608.db2.gz DGXHVUNMXAQGJV-UHFFFAOYSA-N -1 3 259.696 3.292 20 0 CGADHM [O-]c1cc(F)cc(F)c1-c1nc2ccc(F)cc2[nH]1 ZINC001250886096 805793206 /nfs/dbraw/zinc/79/32/06/805793206.db2.gz VDISOTSQOXGUBS-UHFFFAOYSA-N -1 3 264.206 3.353 20 0 CGADHM Cc1cc(NCc2ncccc2[O-])nc(-c2ccsc2)n1 ZINC001158774944 806001189 /nfs/dbraw/zinc/00/11/89/806001189.db2.gz XZVKNJCBPWWGGL-UHFFFAOYSA-N -1 3 298.371 3.226 20 0 CGADHM [O-]c1cccnc1CNc1ccc2ccc(F)cc2n1 ZINC001158773743 806002431 /nfs/dbraw/zinc/00/24/31/806002431.db2.gz BUKRBXJHPXMVHB-UHFFFAOYSA-N -1 3 269.279 3.087 20 0 CGADHM Cc1ccc(S(=O)(=O)Nc2cccc([O-])c2Cl)cc1 ZINC001252184306 806029939 /nfs/dbraw/zinc/02/99/39/806029939.db2.gz PSZAJGWSLFLAFZ-UHFFFAOYSA-N -1 3 297.763 3.155 20 0 CGADHM CCCCS(=O)(=O)[N-]c1ccccc1OCC1CC1 ZINC001253871214 806316934 /nfs/dbraw/zinc/31/69/34/806316934.db2.gz MQHNLAVPRBWHRE-UHFFFAOYSA-N -1 3 283.393 3.017 20 0 CGADHM [O-]c1cc(Cl)ccc1-n1cc(-c2cccc(F)c2)nn1 ZINC001254164914 806356262 /nfs/dbraw/zinc/35/62/62/806356262.db2.gz AVZXPXKKFNRPCN-UHFFFAOYSA-N -1 3 289.697 3.432 20 0 CGADHM Cc1cccnc1CNc1[n-]c(=O)c(Cl)cc1Cl ZINC001161881670 806477362 /nfs/dbraw/zinc/47/73/62/806477362.db2.gz ZZGOGGJKHZSYLY-UHFFFAOYSA-N -1 3 284.146 3.410 20 0 CGADHM [O-]c1ccc(O)cc1-c1nnc([C@H]2C[C@@H]2c2ccccc2)o1 ZINC001254682856 806484858 /nfs/dbraw/zinc/48/48/58/806484858.db2.gz NDPLCQAPDGCVFA-OLZOCXBDSA-N -1 3 294.310 3.419 20 0 CGADHM COc1cccc([O-])c1C(=O)NC[C@@H]1CCCC(C)(C)C1 ZINC001161934501 806485940 /nfs/dbraw/zinc/48/59/40/806485940.db2.gz XINSLCZXTGQZFO-GFCCVEGCSA-N -1 3 291.391 3.347 20 0 CGADHM CCc1cccc(CC)c1NC([O-])=NO[C@@H]1CCCCO1 ZINC000155527680 799063210 /nfs/dbraw/zinc/06/32/10/799063210.db2.gz WQIPJRARMDKKFL-CQSZACIVSA-N -1 3 292.379 3.391 20 0 CGADHM CCc1cccc(CC)c1NC(=O)[N-]O[C@@H]1CCCCO1 ZINC000155527680 799063213 /nfs/dbraw/zinc/06/32/13/799063213.db2.gz WQIPJRARMDKKFL-CQSZACIVSA-N -1 3 292.379 3.391 20 0 CGADHM COc1cccc([O-])c1C(=O)NCC1(C)CCCCC1 ZINC000405216372 799582830 /nfs/dbraw/zinc/58/28/30/799582830.db2.gz KDOWKTPIXBTAIZ-UHFFFAOYSA-N -1 3 277.364 3.101 20 0 CGADHM Cc1ccc(-c2noc(-c3cc4c(cc3[O-])OCO4)n2)cc1 ZINC000436886048 799612319 /nfs/dbraw/zinc/61/23/19/799612319.db2.gz JRHGSOUFISKVJU-UHFFFAOYSA-N -1 3 296.282 3.146 20 0 CGADHM C[C@@H](NC1CCC2(CC2)CC1)c1ncc(C(=O)[O-])s1 ZINC000695689869 799832070 /nfs/dbraw/zinc/83/20/70/799832070.db2.gz MXLPQKOCWRXBCI-SECBINFHSA-N -1 3 280.393 3.215 20 0 CGADHM O=C([O-])CCN(Cc1csc(C(F)(F)F)c1)C1CC1 ZINC000703283150 799921849 /nfs/dbraw/zinc/92/18/49/799921849.db2.gz GBNYFWROOZTPOE-UHFFFAOYSA-N -1 3 293.310 3.206 20 0 CGADHM Cc1cccc([O-])c1C(=O)NC[C@H]1CCCC[C@@H]1C ZINC000706621282 799963987 /nfs/dbraw/zinc/96/39/87/799963987.db2.gz BAOZJWWHXDANQO-WCQYABFASA-N -1 3 261.365 3.257 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000706636854 799964195 /nfs/dbraw/zinc/96/41/95/799964195.db2.gz FBMBELXMAWHUGF-UONOGXRCSA-N -1 3 273.376 3.353 20 0 CGADHM [O-]c1cccc(CN2CCC[C@@H](CF)C2)c1Cl ZINC000711477865 800063508 /nfs/dbraw/zinc/06/35/08/800063508.db2.gz SCVWQOATZWEYSY-JTQLQIEISA-N -1 3 257.736 3.227 20 0 CGADHM COc1ccc(CN(C)Cc2cc(C(=O)[O-])cs2)cc1 ZINC000711479960 800063710 /nfs/dbraw/zinc/06/37/10/800063710.db2.gz ICZRPMDLZRIQCR-UHFFFAOYSA-N -1 3 291.372 3.087 20 0 CGADHM [O-]c1ccc(CNCc2nc3c(s2)CCC3)cc1Cl ZINC000719536801 800241172 /nfs/dbraw/zinc/24/11/72/800241172.db2.gz GJIYITXLLBZGFP-UHFFFAOYSA-N -1 3 294.807 3.281 20 0 CGADHM Cc1cc(C)nc(CN(CCC(=O)[O-])Cc2ccccc2)c1 ZINC000723875209 800342089 /nfs/dbraw/zinc/34/20/89/800342089.db2.gz YQKZYCXNIUGAKE-UHFFFAOYSA-N -1 3 298.386 3.175 20 0 CGADHM Cc1noc(C2CC2)c1[N-]C(=O)c1c(C)noc1C1CC1 ZINC001116554069 802376894 /nfs/dbraw/zinc/37/68/94/802376894.db2.gz FGPKUWRQKDFDTF-UHFFFAOYSA-N -1 3 287.319 3.287 20 0 CGADHM Cc1ccc(Nc2cc(F)c([O-])c(F)c2)cc1O ZINC001211699702 814934016 /nfs/dbraw/zinc/93/40/16/814934016.db2.gz IUNRWCCWPZXHKY-UHFFFAOYSA-N -1 3 251.232 3.428 20 0 CGADHM Cc1nc2ccc(-c3ccc(-c4nnn[n-]4)c(F)c3)cc2o1 ZINC001243964405 803104691 /nfs/dbraw/zinc/10/46/91/803104691.db2.gz STBWUHLHMNNROU-UHFFFAOYSA-N -1 3 295.277 3.122 20 0 CGADHM Cc1nc2ccc(-c3ccc(-c4nn[n-]n4)c(F)c3)cc2o1 ZINC001243964405 803104695 /nfs/dbraw/zinc/10/46/95/803104695.db2.gz STBWUHLHMNNROU-UHFFFAOYSA-N -1 3 295.277 3.122 20 0 CGADHM COc1cc(O)ccc1-c1ccc2c(c1)[N-]C(=S)C2 ZINC001243986603 803122519 /nfs/dbraw/zinc/12/25/19/803122519.db2.gz ZBVHLGDGTXKMDO-UHFFFAOYSA-N -1 3 271.341 3.363 20 0 CGADHM CN(C)Cc1ccc(-c2c([O-])cccc2Cl)nc1 ZINC001244033456 803153414 /nfs/dbraw/zinc/15/34/14/803153414.db2.gz DARVCJHGWCQLLV-UHFFFAOYSA-N -1 3 262.740 3.169 20 0 CGADHM O=c1cc(-c2c([O-])cccc2Cl)cnn1-c1ccccc1 ZINC001244048614 803160652 /nfs/dbraw/zinc/16/06/52/803160652.db2.gz SITCAPXFXZKBBH-UHFFFAOYSA-N -1 3 298.729 3.259 20 0 CGADHM COc1cccc(C2CC2)c1-c1cccc(-c2nnn[n-]2)c1 ZINC001244257643 803267593 /nfs/dbraw/zinc/26/75/93/803267593.db2.gz QGSMVXJIOBCZTB-UHFFFAOYSA-N -1 3 292.342 3.420 20 0 CGADHM COc1cccc(C2CC2)c1-c1cccc(-c2nn[n-]n2)c1 ZINC001244257643 803267596 /nfs/dbraw/zinc/26/75/96/803267596.db2.gz QGSMVXJIOBCZTB-UHFFFAOYSA-N -1 3 292.342 3.420 20 0 CGADHM Nc1ccc(-c2ccc(=S)[n-]n2)cc1C(F)(F)F ZINC001244351167 803321721 /nfs/dbraw/zinc/32/17/21/803321721.db2.gz DSIBRKSEDHYDRN-UHFFFAOYSA-N -1 3 271.267 3.033 20 0 CGADHM O=C1CCc2ccc(Nc3cccc(F)c3[O-])cc21 ZINC001210196802 814333213 /nfs/dbraw/zinc/33/32/13/814333213.db2.gz FKWUXASBBRBQCN-UHFFFAOYSA-N -1 3 257.264 3.404 20 0 CGADHM CN(C)c1cccc(-c2cc(OC(F)(F)F)ccc2[O-])n1 ZINC001244455036 803377246 /nfs/dbraw/zinc/37/72/46/803377246.db2.gz FWGPCIAZKQQKKM-UHFFFAOYSA-N -1 3 298.264 3.419 20 0 CGADHM Cc1cncnc1-c1cc(OC(F)(F)F)ccc1[O-] ZINC001244457402 803380443 /nfs/dbraw/zinc/38/04/43/803380443.db2.gz WDKHCVFXIYSSTI-UHFFFAOYSA-N -1 3 270.210 3.056 20 0 CGADHM CCNC(=O)c1ccccc1-c1ccc(Cl)cc1[O-] ZINC001244469556 803385708 /nfs/dbraw/zinc/38/57/08/803385708.db2.gz MXWPKMGJTDYIHA-UHFFFAOYSA-N -1 3 275.735 3.462 20 0 CGADHM O=C1OCc2cc(-c3ccc(Cl)cc3[O-])ccc21 ZINC001244469520 803386311 /nfs/dbraw/zinc/38/63/11/803386311.db2.gz LFBDATGMSJICQK-UHFFFAOYSA-N -1 3 260.676 3.383 20 0 CGADHM CNC(=O)Cc1ccc(-c2ccc(Cl)cc2[O-])cc1 ZINC001244469404 803386400 /nfs/dbraw/zinc/38/64/00/803386400.db2.gz GPXPSQLRJQCOLH-UHFFFAOYSA-N -1 3 275.735 3.001 20 0 CGADHM O=C1C=CC(=O)N1c1ccccc1-c1ccc(Cl)cc1[O-] ZINC001244470340 803387634 /nfs/dbraw/zinc/38/76/34/803387634.db2.gz ZQNVQWOQVACKKB-UHFFFAOYSA-N -1 3 299.713 3.142 20 0 CGADHM CSc1nc(-c2cc(C)c(F)c([O-])c2)ncc1F ZINC001244505630 803410504 /nfs/dbraw/zinc/41/05/04/803410504.db2.gz HUBLRBPDIVZLHG-UHFFFAOYSA-N -1 3 268.288 3.158 20 0 CGADHM Cc1cc(-c2cc(C(F)(F)F)cnn2)cc([O-])c1F ZINC001244507714 803411400 /nfs/dbraw/zinc/41/14/00/803411400.db2.gz XAIBEHIWYQADLM-UHFFFAOYSA-N -1 3 272.201 3.316 20 0 CGADHM NCc1ccc(-c2c(Cl)cc(C(=O)[O-])cc2Cl)cn1 ZINC001244514202 803412322 /nfs/dbraw/zinc/41/23/22/803412322.db2.gz WBKOHSAACAHPMN-UHFFFAOYSA-N -1 3 297.141 3.212 20 0 CGADHM NCc1cc(-c2c(Cl)cc(C(=O)[O-])cc2Cl)ccn1 ZINC001244517232 803413333 /nfs/dbraw/zinc/41/33/33/803413333.db2.gz BKERDMZFONKFJX-UHFFFAOYSA-N -1 3 297.141 3.212 20 0 CGADHM Cc1cc(-c2ccc(CC(=O)N(C)C)cc2)cc([O-])c1F ZINC001244515267 803413833 /nfs/dbraw/zinc/41/38/33/803413833.db2.gz IADYDOPKBMVMKV-UHFFFAOYSA-N -1 3 287.334 3.137 20 0 CGADHM COc1ccc2nccc(-c3cc(C)c(F)c([O-])c3)c2n1 ZINC001244516286 803414136 /nfs/dbraw/zinc/41/41/36/803414136.db2.gz RQASXSHKQBJBMY-UHFFFAOYSA-N -1 3 284.290 3.459 20 0 CGADHM Cc1cc(-c2cccc3c2NC(=O)C32CC2)cc([O-])c1F ZINC001244521578 803414928 /nfs/dbraw/zinc/41/49/28/803414928.db2.gz VJBNXVOEYMLNFX-UHFFFAOYSA-N -1 3 283.302 3.490 20 0 CGADHM COc1nc2[nH]ccc2cc1-c1cc(C)c(F)c([O-])c1 ZINC001244525651 803418158 /nfs/dbraw/zinc/41/81/58/803418158.db2.gz RCMODPXZQGHEEG-UHFFFAOYSA-N -1 3 272.279 3.343 20 0 CGADHM OCc1c(F)cccc1-c1ccc2c(c1)[N-]C(=S)C2 ZINC001244562377 803440253 /nfs/dbraw/zinc/44/02/53/803440253.db2.gz AKFQIPPDEINDDQ-UHFFFAOYSA-N -1 3 273.332 3.280 20 0 CGADHM Cc1c(F)cncc1-c1ccc2c(c1)[N-]C(=S)C2 ZINC001244837437 803545270 /nfs/dbraw/zinc/54/52/70/803545270.db2.gz RGAGGOUHPDEHOU-UHFFFAOYSA-N -1 3 258.321 3.492 20 0 CGADHM Cc1c(F)ccc(F)c1-c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001244986168 803604397 /nfs/dbraw/zinc/60/43/97/803604397.db2.gz XVIVJINOBAYCFS-UHFFFAOYSA-N -1 3 290.248 3.259 20 0 CGADHM Cc1c(F)ccc(F)c1-c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001244986168 803604398 /nfs/dbraw/zinc/60/43/98/803604398.db2.gz XVIVJINOBAYCFS-UHFFFAOYSA-N -1 3 290.248 3.259 20 0 CGADHM CCOc1cc(-c2ccc([O-])cc2Cl)nc(C)n1 ZINC001245078831 803634996 /nfs/dbraw/zinc/63/49/96/803634996.db2.gz ISPNWMUVTQKBPW-UHFFFAOYSA-N -1 3 264.712 3.210 20 0 CGADHM [O-]c1ccc(-c2ncnc3[nH]cc(F)c32)c(Cl)c1 ZINC001245082127 803636431 /nfs/dbraw/zinc/63/64/31/803636431.db2.gz UFXACGDWATWHPD-UHFFFAOYSA-N -1 3 263.659 3.075 20 0 CGADHM Nc1ccnc2cc(-c3cc(CC(=O)[O-])ccc3F)ccc12 ZINC001245319712 803700727 /nfs/dbraw/zinc/70/07/27/803700727.db2.gz TXZRAKRXEZNZLS-UHFFFAOYSA-N -1 3 296.301 3.250 20 0 CGADHM C/C(=C\C(=O)NCc1ccc([O-])c(F)c1)c1cccs1 ZINC001137441333 803733531 /nfs/dbraw/zinc/73/35/31/803733531.db2.gz BPQHSFHRJOLEJX-JXMROGBWSA-N -1 3 291.347 3.313 20 0 CGADHM CCCc1cc(Nc2ccc([O-])c(F)c2F)on1 ZINC001211997764 814964254 /nfs/dbraw/zinc/96/42/54/814964254.db2.gz KIBJKOINIWDNRH-UHFFFAOYSA-N -1 3 254.236 3.355 20 0 CGADHM [O-]c1ccc(Nc2cccc(-c3nnco3)c2)c(F)c1F ZINC001212009038 814966357 /nfs/dbraw/zinc/96/63/57/814966357.db2.gz IBNKBXJKRRTAPH-UHFFFAOYSA-N -1 3 289.241 3.464 20 0 CGADHM [O-]c1ccc(Nc2cccc3nccnc32)c(F)c1F ZINC001212009428 814966481 /nfs/dbraw/zinc/96/64/81/814966481.db2.gz NLWFVMSMVGPIAO-UHFFFAOYSA-N -1 3 273.242 3.357 20 0 CGADHM C[C@@H](C(=O)Nc1ncccc1[O-])c1ccc(Cl)cc1 ZINC001138164782 803871147 /nfs/dbraw/zinc/87/11/47/803871147.db2.gz FZPJJMABIWIFCN-SECBINFHSA-N -1 3 276.723 3.183 20 0 CGADHM COC(=O)c1cc(-c2c([O-])cccc2F)cc2[nH]ccc21 ZINC001245654838 803886721 /nfs/dbraw/zinc/88/67/21/803886721.db2.gz GLKGXWWJOHIVQE-UHFFFAOYSA-N -1 3 285.274 3.466 20 0 CGADHM CC1(c2ccc(-c3c([O-])cccc3F)cc2)COC1 ZINC001245656988 803891079 /nfs/dbraw/zinc/89/10/79/803891079.db2.gz XKSMEWAORLXGGC-UHFFFAOYSA-N -1 3 258.292 3.486 20 0 CGADHM CN(C)Cc1cccc(-c2cc(Cl)c([O-])cc2F)n1 ZINC001245670316 803899911 /nfs/dbraw/zinc/89/99/11/803899911.db2.gz PLEGDEQXCIZHEE-UHFFFAOYSA-N -1 3 280.730 3.308 20 0 CGADHM CN(Cc1ccc(C(F)(F)F)cc1)Cc1ncccc1[O-] ZINC001138394606 803913558 /nfs/dbraw/zinc/91/35/58/803913558.db2.gz YRHFNHPHTVTTKW-UHFFFAOYSA-N -1 3 296.292 3.438 20 0 CGADHM Cc1ccc([C@@H]2CCCN2Cc2ccccc2C(=O)[O-])cn1 ZINC001140502723 804448284 /nfs/dbraw/zinc/44/82/84/804448284.db2.gz BMWXSHOLVIZVOE-KRWDZBQOSA-N -1 3 296.370 3.425 20 0 CGADHM C[C@@H]1CCN(Cc2ccc([O-])c(F)c2F)[C@H](C)C1 ZINC001140894036 804544558 /nfs/dbraw/zinc/54/45/58/804544558.db2.gz OSVVOQLQVHTKCN-NXEZZACHSA-N -1 3 255.308 3.291 20 0 CGADHM C[C@H]1CCN(Cc2ccc([O-])c(F)c2F)[C@@H](C)C1 ZINC001140894037 804546036 /nfs/dbraw/zinc/54/60/36/804546036.db2.gz OSVVOQLQVHTKCN-UWVGGRQHSA-N -1 3 255.308 3.291 20 0 CGADHM CCN(Cc1cccnc1)Cc1cc(F)c([O-])c(F)c1 ZINC001140991759 804564115 /nfs/dbraw/zinc/56/41/15/804564115.db2.gz YRLYAYQUNCHADF-UHFFFAOYSA-N -1 3 278.302 3.088 20 0 CGADHM COc1cccc(CN(C)Cc2cc(F)c([O-])c(F)c2)c1 ZINC001140990117 804564607 /nfs/dbraw/zinc/56/46/07/804564607.db2.gz MJVSYAPOWUBGOZ-UHFFFAOYSA-N -1 3 293.313 3.311 20 0 CGADHM O=Cc1ccc(F)c(C(=O)Nc2c([O-])cccc2Cl)c1 ZINC001141469071 804643993 /nfs/dbraw/zinc/64/39/93/804643993.db2.gz HYNIZSCZPMPYBC-UHFFFAOYSA-N -1 3 293.681 3.250 20 0 CGADHM O=C1CCCN(Cc2c(Cl)cc([O-])cc2Cl)CC1 ZINC001142109405 804696064 /nfs/dbraw/zinc/69/60/64/804696064.db2.gz PEDATRBJXDSDME-UHFFFAOYSA-N -1 3 288.174 3.254 20 0 CGADHM Cc1nc(Nc2cc(F)cc(F)c2[O-])sc1C ZINC001212477854 815033582 /nfs/dbraw/zinc/03/35/82/815033582.db2.gz OCTCFLSUKZHLAM-UHFFFAOYSA-N -1 3 256.277 3.487 20 0 CGADHM [O-]c1c(F)cc(F)cc1Nc1c(F)c(F)nc(F)c1F ZINC001212477436 815033728 /nfs/dbraw/zinc/03/37/28/815033728.db2.gz DVDFWZLOIGIEQB-UHFFFAOYSA-N -1 3 294.154 3.365 20 0 CGADHM CC1(C)CCC[C@@H](CNC(=O)c2ccc(O)cc2[O-])C1 ZINC001142300830 804714743 /nfs/dbraw/zinc/71/47/43/804714743.db2.gz ISQLMIIWGMJRHH-LLVKDONJSA-N -1 3 277.364 3.044 20 0 CGADHM CC[C@H](C)C1CCC([N-]C(=O)C(F)(F)F)CC1 ZINC001142770364 804766899 /nfs/dbraw/zinc/76/68/99/804766899.db2.gz FBTRKGLFWSFIOW-IDKOKCKLSA-N -1 3 251.292 3.270 20 0 CGADHM Nc1ccc(-c2cnn(-c3cc(F)cc(F)c3[O-])c2)cc1 ZINC001212488986 815039055 /nfs/dbraw/zinc/03/90/55/815039055.db2.gz BKZWJIBVCVFBHQ-UHFFFAOYSA-N -1 3 287.269 3.105 20 0 CGADHM O=C(C[C@H]1C[C@@H]2CC[C@H]1C2)Nc1ccc(F)c([O-])c1 ZINC001144305065 804971841 /nfs/dbraw/zinc/97/18/41/804971841.db2.gz ZCRILMGPFYKECI-OUAUKWLOSA-N -1 3 263.312 3.296 20 0 CGADHM C[C@@H]1[C@@H](C)CCCN1Cc1c(F)cc([O-])cc1F ZINC001144555219 805004788 /nfs/dbraw/zinc/00/47/88/805004788.db2.gz ZSSPZYQFYBBVKS-VHSXEESVSA-N -1 3 255.308 3.291 20 0 CGADHM [O-]c1cc(F)c(CN(C2CCC2)C2CCOCC2)c(F)c1 ZINC001144567508 805007009 /nfs/dbraw/zinc/00/70/09/805007009.db2.gz OWIUFKPNGWEURH-UHFFFAOYSA-N -1 3 297.345 3.204 20 0 CGADHM CC[C@@H]1CCCCN1Cc1c(F)cc([O-])cc1F ZINC001144559939 805007546 /nfs/dbraw/zinc/00/75/46/805007546.db2.gz SJEPDCUWXVMKRG-SNVBAGLBSA-N -1 3 255.308 3.435 20 0 CGADHM C[C@@H]1CCC[C@H](C)N1Cc1cc(F)c([O-])cc1F ZINC001144647037 805021218 /nfs/dbraw/zinc/02/12/18/805021218.db2.gz WGXZWLUQDMSWFJ-AOOOYVTPSA-N -1 3 255.308 3.433 20 0 CGADHM O=C(Nc1cc([O-])cc(Cl)c1)C1=CCCCC1 ZINC001146716547 805082790 /nfs/dbraw/zinc/08/27/90/805082790.db2.gz BFJZXDFFHXBEMO-UHFFFAOYSA-N -1 3 251.713 3.485 20 0 CGADHM COc1cccc(C(=O)Nc2cc3ccccc3n2C)c1[O-] ZINC001148197699 805168134 /nfs/dbraw/zinc/16/81/34/805168134.db2.gz YAGWUUZKXLHTTQ-UHFFFAOYSA-N -1 3 296.326 3.145 20 0 CGADHM CCOc1c(F)cccc1Nc1ncc(F)cc1[O-] ZINC001212535088 815055119 /nfs/dbraw/zinc/05/51/19/815055119.db2.gz COQMMRBCWNXXHA-UHFFFAOYSA-N -1 3 266.247 3.208 20 0 CGADHM Cc1ccc(C(=O)Nc2cc(Cl)nnc2Cl)c([O-])c1 ZINC001148492828 805189891 /nfs/dbraw/zinc/18/98/91/805189891.db2.gz UYRDNMQPAFUWNK-UHFFFAOYSA-N -1 3 298.129 3.050 20 0 CGADHM Cc1ccc(CCCNC(=O)c2ccc(C)cc2[O-])s1 ZINC001148505652 805191046 /nfs/dbraw/zinc/19/10/46/805191046.db2.gz BFGYHJXYRMKJDO-UHFFFAOYSA-N -1 3 289.400 3.433 20 0 CGADHM O=C([O-])c1c(F)ccc(CN(CC2CC2)C2CC2)c1F ZINC001249780578 805241759 /nfs/dbraw/zinc/24/17/59/805241759.db2.gz XDGRSSJASVMJFH-UHFFFAOYSA-N -1 3 281.302 3.037 20 0 CGADHM CCOC(=O)CCCCc1cccc([O-])c1Cl ZINC001249981366 805341492 /nfs/dbraw/zinc/34/14/92/805341492.db2.gz PZVXGKJSLZTDLV-UHFFFAOYSA-N -1 3 256.729 3.322 20 0 CGADHM [O-]c1ccc(-c2nc(-c3ccc(OC4CC4)cc3)no2)nc1 ZINC001212557967 815068396 /nfs/dbraw/zinc/06/83/96/815068396.db2.gz KVKXHLOAXMHRQW-UHFFFAOYSA-N -1 3 295.298 3.045 20 0 CGADHM Cc1cccc(-c2noc(-c3ccc([O-])cn3)n2)c1Cl ZINC001212557873 815068448 /nfs/dbraw/zinc/06/84/48/815068448.db2.gz FLEDHHVVEGFUDQ-UHFFFAOYSA-N -1 3 287.706 3.466 20 0 CGADHM COc1c(Cl)ccc(F)c1Nc1cc(=O)[n-]c(C)n1 ZINC001250099508 805416838 /nfs/dbraw/zinc/41/68/38/805416838.db2.gz PUFPPUXUQCBYRM-UHFFFAOYSA-N -1 3 283.690 3.035 20 0 CGADHM O=C(c1c(O)cc2ccccc2c1[O-])N1CCC2(CCC2)C1 ZINC001154024995 805426908 /nfs/dbraw/zinc/42/69/08/805426908.db2.gz ADXCBFPVPGPIFI-UHFFFAOYSA-N -1 3 297.354 3.267 20 0 CGADHM Cc1ccc(Nc2ccc(Cl)c([O-])c2)c(C(N)=O)c1 ZINC001212593456 815079353 /nfs/dbraw/zinc/07/93/53/815079353.db2.gz RQUPRVGGFPMOMS-UHFFFAOYSA-N -1 3 276.723 3.197 20 0 CGADHM [O-]c1cc(Nc2ccc(CO)cc2F)ccc1Cl ZINC001212592341 815079844 /nfs/dbraw/zinc/07/98/44/815079844.db2.gz KZCNXZAWGZBDES-UHFFFAOYSA-N -1 3 267.687 3.421 20 0 CGADHM O=C1NCc2cc(Nc3ccc(Cl)c([O-])c3)ccc21 ZINC001212592219 815080189 /nfs/dbraw/zinc/08/01/89/815080189.db2.gz FDTVELSMWFITOI-UHFFFAOYSA-N -1 3 274.707 3.033 20 0 CGADHM OCc1ccc(F)c([N-]c2cc(-c3ccco3)no2)c1F ZINC001250254097 805523417 /nfs/dbraw/zinc/52/34/17/805523417.db2.gz UHJCPXQUZHIYAA-UHFFFAOYSA-N -1 3 292.241 3.449 20 0 CGADHM CC[C@@H](C)C[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC001257183223 807057987 /nfs/dbraw/zinc/05/79/87/807057987.db2.gz NRUUZLKQHQVSMM-MRVPVSSYSA-N -1 3 296.219 3.318 20 0 CGADHM CC(C)c1ccc(C(=O)NC[C@@H]2CCC[C@@H](C)O2)c([O-])c1 ZINC001167155331 807162188 /nfs/dbraw/zinc/16/21/88/807162188.db2.gz WJROZOLABMEYFE-OCCSQVGLSA-N -1 3 291.391 3.203 20 0 CGADHM CCC[C@@H](C)CC[C@@H](C)[NH2+]CCCCP(=O)([O-])[O-] ZINC001257468658 807171828 /nfs/dbraw/zinc/17/18/28/807171828.db2.gz QNZMREQODHHRIT-CHWSQXEVSA-N -1 3 279.361 3.139 20 0 CGADHM CCOc1cccc(-c2nnc(C3CCCC3)o2)c1[O-] ZINC001257593388 807202261 /nfs/dbraw/zinc/20/22/61/807202261.db2.gz XDPUIRKILVZIQX-UHFFFAOYSA-N -1 3 274.320 3.499 20 0 CGADHM CC[C@H](C)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC001257661642 807206924 /nfs/dbraw/zinc/20/69/24/807206924.db2.gz OTPRSNVDNOQXRQ-QMMMGPOBSA-N -1 3 296.219 3.318 20 0 CGADHM Cc1cc(=O)[n-]c(CN[C@H](C)c2cc(Cl)ccc2F)n1 ZINC001168499422 807437981 /nfs/dbraw/zinc/43/79/81/807437981.db2.gz XDQZVEUTTHAQGM-SECBINFHSA-N -1 3 295.745 3.134 20 0 CGADHM CC(C)OCCCNc1[n-]c(=O)c(Cl)cc1Cl ZINC001168676000 807472700 /nfs/dbraw/zinc/47/27/00/807472700.db2.gz FAQYGZIPFJXIFP-UHFFFAOYSA-N -1 3 279.167 3.321 20 0 CGADHM CC[C@@H](C)C[C@@H](C)Nc1ccccc1-c1nnn[n-]1 ZINC001168692959 807483155 /nfs/dbraw/zinc/48/31/55/807483155.db2.gz ZVHKOECPIDBVPX-GHMZBOCLSA-N -1 3 259.357 3.103 20 0 CGADHM CC[C@@H](C)C[C@@H](C)Nc1ccccc1-c1nn[n-]n1 ZINC001168692959 807483160 /nfs/dbraw/zinc/48/31/60/807483160.db2.gz ZVHKOECPIDBVPX-GHMZBOCLSA-N -1 3 259.357 3.103 20 0 CGADHM S=c1ccc(NCCOc2cccc3ccccc32)n[n-]1 ZINC001169014256 807552866 /nfs/dbraw/zinc/55/28/66/807552866.db2.gz SKBJUPHQSKRTPF-UHFFFAOYSA-N -1 3 297.383 3.409 20 0 CGADHM Cc1ccc(N[C@@H]2CCCC(F)(F)C2)cc1-c1nnn[n-]1 ZINC001169218491 807606454 /nfs/dbraw/zinc/60/64/54/807606454.db2.gz KQUMWHAOPIFNKR-LLVKDONJSA-N -1 3 293.321 3.165 20 0 CGADHM Cc1ccc(N[C@@H]2CCCC(F)(F)C2)cc1-c1nn[n-]n1 ZINC001169218491 807606461 /nfs/dbraw/zinc/60/64/61/807606461.db2.gz KQUMWHAOPIFNKR-LLVKDONJSA-N -1 3 293.321 3.165 20 0 CGADHM Cc1c(F)c(F)cc(NCc2ncccc2[O-])c1F ZINC001169733498 807701248 /nfs/dbraw/zinc/70/12/48/807701248.db2.gz WRNZTEYILOKPMO-UHFFFAOYSA-N -1 3 268.238 3.125 20 0 CGADHM CCCOc1ccccc1[N-]S(=O)(=O)[C@@H](C)CC ZINC001260743259 807704511 /nfs/dbraw/zinc/70/45/11/807704511.db2.gz LRRDZJCYIRWWJL-NSHDSACASA-N -1 3 271.382 3.016 20 0 CGADHM CC[C@@H](C)S(=O)(=O)[N-]c1c(F)cccc1OC(C)C ZINC001260743033 807704558 /nfs/dbraw/zinc/70/45/58/807704558.db2.gz IIQGRRLVYOEMJV-SNVBAGLBSA-N -1 3 289.372 3.153 20 0 CGADHM [O-]c1cc(Nc2ccc3c(c2)OCCO3)c(F)cc1F ZINC001173877796 808733252 /nfs/dbraw/zinc/73/32/52/808733252.db2.gz DPTDRJXUFNCTTH-UHFFFAOYSA-N -1 3 279.242 3.185 20 0 CGADHM CC(C)c1ccc(Nc2ccc(C(N)=O)c([O-])c2)cc1 ZINC001173895591 808748945 /nfs/dbraw/zinc/74/89/45/808748945.db2.gz PQTOTSMLYUXSGX-UHFFFAOYSA-N -1 3 270.332 3.358 20 0 CGADHM COC(=O)c1ccc([O-])c(Nc2cccc(C(C)=O)c2)c1 ZINC001173901238 808752973 /nfs/dbraw/zinc/75/29/73/808752973.db2.gz PYWGJIIRPYITDD-UHFFFAOYSA-N -1 3 285.299 3.125 20 0 CGADHM CNC(=O)c1cccc(Nc2ccc([O-])c(Cl)c2)c1 ZINC001174140773 808887013 /nfs/dbraw/zinc/88/70/13/808887013.db2.gz HEQMLJMMQJQMLZ-UHFFFAOYSA-N -1 3 276.723 3.149 20 0 CGADHM Cn1nc(C(F)(F)F)cc1Nc1cc(F)c([O-])c(F)c1 ZINC001174325187 808951723 /nfs/dbraw/zinc/95/17/23/808951723.db2.gz CUYGRPWVTKGRIW-UHFFFAOYSA-N -1 3 293.195 3.166 20 0 CGADHM O=c1cc(Nc2cccc(C(F)F)c2)[nH]c(=S)[n-]1 ZINC001174619811 809107283 /nfs/dbraw/zinc/10/72/83/809107283.db2.gz ZRAZBCZNZISEJA-UHFFFAOYSA-N -1 3 269.276 3.152 20 0 CGADHM CCO[C@@H](C)n1cc(Nc2cc([O-])c(F)cc2F)cn1 ZINC001174698929 809135885 /nfs/dbraw/zinc/13/58/85/809135885.db2.gz LQFLXMYPUMRIKM-QMMMGPOBSA-N -1 3 283.278 3.166 20 0 CGADHM O=c1[nH]oc2ccc(Nc3cc(F)c([O-])c(F)c3)cc12 ZINC001213386694 815275084 /nfs/dbraw/zinc/27/50/84/815275084.db2.gz PVIHNTYDKGQFMB-UHFFFAOYSA-N -1 3 278.214 3.261 20 0 CGADHM O=c1cc[nH]c(Cl)c1Nc1cc(F)c([O-])c(F)c1 ZINC001213377679 815272992 /nfs/dbraw/zinc/27/29/92/815272992.db2.gz WMYQONINNXGEEX-UHFFFAOYSA-N -1 3 272.638 3.168 20 0 CGADHM CC(=O)c1cc(Nc2c(F)cc([O-])cc2F)cnc1C ZINC001175100229 809271157 /nfs/dbraw/zinc/27/11/57/809271157.db2.gz KNFDVBQCVDVCJN-UHFFFAOYSA-N -1 3 278.258 3.320 20 0 CGADHM CC(=O)Nc1ccc(O)c(Nc2c(F)cc([O-])cc2F)c1 ZINC001175102262 809273183 /nfs/dbraw/zinc/27/31/83/809273183.db2.gz FEZBKGIOUFOZAW-UHFFFAOYSA-N -1 3 294.257 3.078 20 0 CGADHM CCOc1ccc(Nc2ncc(F)cc2[O-])cc1C ZINC001175167392 809296620 /nfs/dbraw/zinc/29/66/20/809296620.db2.gz XALUBUXNXSFFCL-UHFFFAOYSA-N -1 3 262.284 3.377 20 0 CGADHM CCCCOc1ccc(Nc2cnc(C)[n-]c2=O)cc1 ZINC001175241033 809321362 /nfs/dbraw/zinc/32/13/62/809321362.db2.gz BXHNYYQLBMWYPE-UHFFFAOYSA-N -1 3 273.336 3.413 20 0 CGADHM COc1ccc(Nc2c(F)ccc([O-])c2F)c(OC)c1 ZINC001175268849 809333098 /nfs/dbraw/zinc/33/30/98/809333098.db2.gz ZGKUUDNIWVCHDD-UHFFFAOYSA-N -1 3 281.258 3.431 20 0 CGADHM [O-]c1cc(F)c(Nc2c(F)ccc(O)c2F)c(F)c1 ZINC001175269112 809333822 /nfs/dbraw/zinc/33/38/22/809333822.db2.gz CETSPMPATUQLSJ-UHFFFAOYSA-N -1 3 273.185 3.398 20 0 CGADHM [O-]c1ccc(F)c(Nc2ccccc2C2OCCO2)c1F ZINC001175271615 809335749 /nfs/dbraw/zinc/33/57/49/809335749.db2.gz XPDBECKSDNODNJ-UHFFFAOYSA-N -1 3 293.269 3.459 20 0 CGADHM [O-]c1cc(F)c(Nc2ccc(N3CCCC3)nc2)cc1F ZINC001175352643 809374286 /nfs/dbraw/zinc/37/42/86/809374286.db2.gz YSXKFEFYXLYOMV-UHFFFAOYSA-N -1 3 291.301 3.409 20 0 CGADHM Cc1ncc(Nc2cccc3ccsc32)c(=O)[n-]1 ZINC001175377889 809385012 /nfs/dbraw/zinc/38/50/12/809385012.db2.gz UOTNFEUNWCXWPS-UHFFFAOYSA-N -1 3 257.318 3.449 20 0 CGADHM Cc1cc(F)c(F)cc1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175429921 809401182 /nfs/dbraw/zinc/40/11/82/809401182.db2.gz VNGPVYLFDJLTBF-UHFFFAOYSA-N -1 3 287.273 3.197 20 0 CGADHM Cc1nc2cc(Nc3ccc(-c4nn[n-]n4)cc3)ccc2o1 ZINC001175428947 809401282 /nfs/dbraw/zinc/40/12/82/809401282.db2.gz CMWYLAOKOTYQHF-UHFFFAOYSA-N -1 3 292.302 3.060 20 0 CGADHM c1cc2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2o1 ZINC001175433459 809402570 /nfs/dbraw/zinc/40/25/70/809402570.db2.gz XJUIZOLWFQJXRD-UHFFFAOYSA-N -1 3 277.287 3.357 20 0 CGADHM CSc1ccc([O-])c(C(=O)N[C@H]2CCC[C@H]2C)c1 ZINC001293164603 809443627 /nfs/dbraw/zinc/44/36/27/809443627.db2.gz ITWVUFLRMUQBPC-SKDRFNHKSA-N -1 3 265.378 3.033 20 0 CGADHM COc1ccc(C(=O)NCCC2=CCCCCC2)c([O-])c1 ZINC001296191325 809500669 /nfs/dbraw/zinc/50/06/69/809500669.db2.gz ZRYDHASLKPPCHI-UHFFFAOYSA-N -1 3 289.375 3.411 20 0 CGADHM CCCc1ccc(Nc2ccc(C(N)=O)c([O-])c2)cc1 ZINC001175721057 809519992 /nfs/dbraw/zinc/51/99/92/809519992.db2.gz IIJFLHMKDPYKRE-UHFFFAOYSA-N -1 3 270.332 3.187 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)C[C@@H](C)Cc1cccc(OC)c1 ZINC001298607030 809534971 /nfs/dbraw/zinc/53/49/71/809534971.db2.gz OSCJVYPIXAKZGK-KBPBESRZSA-N -1 3 293.407 3.358 20 0 CGADHM CCCn1nc(C)cc1Nc1cc(F)c([O-])c(F)c1 ZINC001175803348 809547867 /nfs/dbraw/zinc/54/78/67/809547867.db2.gz ISJHFUOQGGMJAO-UHFFFAOYSA-N -1 3 267.279 3.329 20 0 CGADHM CC(C)c1ccc(C(=O)NCCC(C)(C)F)c([O-])c1 ZINC001300472607 809568417 /nfs/dbraw/zinc/56/84/17/809568417.db2.gz RPLOTXRAVKCSFR-UHFFFAOYSA-N -1 3 267.344 3.384 20 0 CGADHM Cc1ncc(Nc2cc(Br)cc(F)c2[O-])cn1 ZINC001176399471 809687125 /nfs/dbraw/zinc/68/71/25/809687125.db2.gz NSZHCIOPZMAQKL-UHFFFAOYSA-N -1 3 298.115 3.136 20 0 CGADHM Cc1ncc(Nc2cccc(OC(F)(F)F)c2)c(=O)[n-]1 ZINC001176537365 809711972 /nfs/dbraw/zinc/71/19/72/809711972.db2.gz HAQPYRDZMBDRRA-UHFFFAOYSA-N -1 3 285.225 3.133 20 0 CGADHM Cc1ccc([O-])c(-c2nc(-c3cccc(F)c3F)no2)n1 ZINC001213697647 815323302 /nfs/dbraw/zinc/32/33/02/815323302.db2.gz BRTWUEYBLSJPSR-UHFFFAOYSA-N -1 3 289.241 3.091 20 0 CGADHM CC(=O)c1cccc([O-])c1NC(=O)[C@@H](F)c1ccccc1 ZINC001180149272 809978868 /nfs/dbraw/zinc/97/88/68/809978868.db2.gz PFFVVNZANOJALJ-AWEZNQCLSA-N -1 3 287.290 3.244 20 0 CGADHM Cc1ccc(CC(=O)Nc2ccc(F)c([O-])c2)cc1C ZINC001180461104 810003890 /nfs/dbraw/zinc/00/38/90/810003890.db2.gz FOKBRZUPXGPMGT-UHFFFAOYSA-N -1 3 273.307 3.329 20 0 CGADHM O=C(Nc1ccc(F)c([O-])c1)[C@H]1C[C@H]1c1ccccc1F ZINC001182287659 810102541 /nfs/dbraw/zinc/10/25/41/810102541.db2.gz SGHOAPIHDLYLEN-RYUDHWBXSA-N -1 3 289.281 3.413 20 0 CGADHM Cc1nc(NC(=O)Nc2cccc(Cl)c2C)cc(=O)[n-]1 ZINC001184649430 810212998 /nfs/dbraw/zinc/21/29/98/810212998.db2.gz MOOWLSPSFADPPG-UHFFFAOYSA-N -1 3 292.726 3.096 20 0 CGADHM CC1(C)CC[C@H](C(=O)Nc2ccc(F)c([O-])c2)C1 ZINC001185167468 810239798 /nfs/dbraw/zinc/23/97/98/810239798.db2.gz KHOHHFWTQNPNRY-VIFPVBQESA-N -1 3 251.301 3.296 20 0 CGADHM O=C(Nc1ccc(F)c([O-])c1)c1cc(C2CCC2)ccn1 ZINC001185316280 810255414 /nfs/dbraw/zinc/25/54/14/810255414.db2.gz WRNRNVWSLYPNSX-UHFFFAOYSA-N -1 3 286.306 3.446 20 0 CGADHM Cc1cc(F)ccc1-c1noc(-c2ccc(F)c(=O)[n-]2)n1 ZINC001214085774 815366363 /nfs/dbraw/zinc/36/63/63/815366363.db2.gz YKIIJOWQIKOGTF-UHFFFAOYSA-N -1 3 289.241 3.091 20 0 CGADHM Cc1ccc(F)cc1-c1noc(-c2ccc(F)c(=O)[n-]2)n1 ZINC001214085155 815366397 /nfs/dbraw/zinc/36/63/97/815366397.db2.gz GAAWPGVVGHZPIH-UHFFFAOYSA-N -1 3 289.241 3.091 20 0 CGADHM Cc1cccc([O-])c1C(=O)Nc1c(Cl)cnnc1Cl ZINC001188638860 810496489 /nfs/dbraw/zinc/49/64/89/810496489.db2.gz RECNASLSMKDDGL-UHFFFAOYSA-N -1 3 298.129 3.050 20 0 CGADHM Cc1cccc([O-])c1C(=O)NC(C)(C)C(=O)c1ccccc1 ZINC001188654433 810499941 /nfs/dbraw/zinc/49/99/41/810499941.db2.gz ASISXZXGCHVKBT-UHFFFAOYSA-N -1 3 297.354 3.092 20 0 CGADHM Cc1ccc(Nc2ncc(Br)cc2[O-])c(N)c1 ZINC001214177818 815377803 /nfs/dbraw/zinc/37/78/03/815377803.db2.gz MRWAIMHSQHBDFB-UHFFFAOYSA-N -1 3 294.152 3.184 20 0 CGADHM Cc1ccc(Nc2c(F)cc([O-])cc2F)c(N)c1 ZINC001214192168 815380328 /nfs/dbraw/zinc/38/03/28/815380328.db2.gz LQLSNIQBGMUZTG-UHFFFAOYSA-N -1 3 250.248 3.305 20 0 CGADHM C[C@H]1C[C@@H](NC(=O)c2ccc(=O)[n-]c2Cl)CC(C)(C)C1 ZINC001190917592 810657096 /nfs/dbraw/zinc/65/70/96/810657096.db2.gz IOWPAYNLEMWUFG-VHSXEESVSA-N -1 3 296.798 3.385 20 0 CGADHM O=C(Nc1ccc(OC(F)F)cc1)Nc1cncc([O-])c1 ZINC001192147207 810771229 /nfs/dbraw/zinc/77/12/29/810771229.db2.gz JAVAOVBRRKVPQY-UHFFFAOYSA-N -1 3 295.245 3.033 20 0 CGADHM O=C(NC1(CC2CC2)CC1)c1ccc([O-])cc1C(F)(F)F ZINC001193759818 810949587 /nfs/dbraw/zinc/94/95/87/810949587.db2.gz ZFVLSOVUCLUAFH-UHFFFAOYSA-N -1 3 299.292 3.474 20 0 CGADHM Cc1ccc(OC(=O)Nc2ccc([O-])cc2F)cc1 ZINC001194459483 811079720 /nfs/dbraw/zinc/07/97/20/811079720.db2.gz SGCMDMXEWWBJEM-UHFFFAOYSA-N -1 3 261.252 3.451 20 0 CGADHM CCN(C)c1ncc(Nc2c(Cl)ccc([O-])c2F)cn1 ZINC001214558177 815424442 /nfs/dbraw/zinc/42/44/42/815424442.db2.gz RBNHWEMTHCVTMD-UHFFFAOYSA-N -1 3 296.733 3.174 20 0 CGADHM COCCn1ncc(C)c1Nc1c(Cl)ccc([O-])c1F ZINC001214557608 815422951 /nfs/dbraw/zinc/42/29/51/815422951.db2.gz DMMSFJZFBGEPKN-UHFFFAOYSA-N -1 3 299.733 3.080 20 0 CGADHM COc1ccccc1NC(=S)Nc1ccc([O-])c(F)c1 ZINC001196249434 811327011 /nfs/dbraw/zinc/32/70/11/811327011.db2.gz FDQSEGDUFYSBMK-UHFFFAOYSA-N -1 3 292.335 3.349 20 0 CGADHM CC(=O)c1cccc([O-])c1NC(=O)c1ccc2c(c1)CCC2 ZINC001198774732 811541654 /nfs/dbraw/zinc/54/16/54/811541654.db2.gz GOVJIYBDHBNHLG-UHFFFAOYSA-N -1 3 295.338 3.336 20 0 CGADHM CC(=O)c1c(F)cc(F)cc1Nc1cncc([O-])c1 ZINC001201642244 811928390 /nfs/dbraw/zinc/92/83/90/811928390.db2.gz PHNVSPOZVMZNSH-UHFFFAOYSA-N -1 3 264.231 3.012 20 0 CGADHM O=C(c1ccncc1)c1ccc(Nc2cncc([O-])c2)cc1 ZINC001201642416 811928863 /nfs/dbraw/zinc/92/88/63/811928863.db2.gz UFDBVRREUHVVLM-UHFFFAOYSA-N -1 3 291.310 3.157 20 0 CGADHM CCCCOc1ncc(Nc2cc(=O)[n-]c(C)n2)cc1C ZINC001203040680 812224241 /nfs/dbraw/zinc/22/42/41/812224241.db2.gz SKGCAKZJPAMONS-UHFFFAOYSA-N -1 3 288.351 3.117 20 0 CGADHM O=c1cc(Cl)[nH]cc1Nc1cc(F)c([O-])cc1F ZINC001215571554 815537375 /nfs/dbraw/zinc/53/73/75/815537375.db2.gz DBIGPRFYYDPRFG-UHFFFAOYSA-N -1 3 272.638 3.168 20 0 CGADHM COc1cc(Cl)cnc1Nc1cc(F)c([O-])cc1F ZINC001215572122 815537454 /nfs/dbraw/zinc/53/74/54/815537454.db2.gz LZPOCDVJWBOKIY-UHFFFAOYSA-N -1 3 286.665 3.471 20 0 CGADHM Cc1ccc(F)c(Nc2ncc(Cl)cc2[O-])c1O ZINC001215738255 815570392 /nfs/dbraw/zinc/57/03/92/815570392.db2.gz UAIYPSAMBANSKM-UHFFFAOYSA-N -1 3 268.675 3.337 20 0 CGADHM C[C@H]1CCCN(c2cc(-c3ccc([O-])cc3F)ncn2)C1 ZINC001206044259 813179266 /nfs/dbraw/zinc/17/92/66/813179266.db2.gz GYPOECNYFUYSGW-NSHDSACASA-N -1 3 287.338 3.225 20 0 CGADHM Cc1cc(-c2ccc([O-])cc2F)nc(-c2cccnc2)n1 ZINC001206044454 813179291 /nfs/dbraw/zinc/17/92/91/813179291.db2.gz MBAGDNRNVAFJRQ-UHFFFAOYSA-N -1 3 281.290 3.359 20 0 CGADHM CC(C)Oc1cc(-c2ccc(=S)[n-]n2)ccc1F ZINC001206171444 813224195 /nfs/dbraw/zinc/22/41/95/813224195.db2.gz IXGIWVBULPJZRU-UHFFFAOYSA-N -1 3 264.325 3.359 20 0 CGADHM COc1cc(Cl)ccc1Nc1cc(=O)[n-]c(C2CC2)n1 ZINC001209904698 814195035 /nfs/dbraw/zinc/19/50/35/814195035.db2.gz CTBORQKDDMQLHH-UHFFFAOYSA-N -1 3 291.738 3.465 20 0 CGADHM Cc1nc2ccc(Nc3cccc(Cl)c3[O-])cn2n1 ZINC001210218348 814346376 /nfs/dbraw/zinc/34/63/76/814346376.db2.gz IUBQBJHFDNZGBJ-UHFFFAOYSA-N -1 3 274.711 3.140 20 0 CGADHM COc1nccc(Nc2cccc(Cl)c2[O-])c1F ZINC001210219440 814346534 /nfs/dbraw/zinc/34/65/34/814346534.db2.gz JBHHFZCCOBQGGQ-UHFFFAOYSA-N -1 3 268.675 3.332 20 0 CGADHM Cc1c[nH]c(=O)c(Nc2cccc(Cl)c2[O-])c1 ZINC001210216632 814347270 /nfs/dbraw/zinc/34/72/70/814347270.db2.gz ZUMDFYVNKRQMMI-UHFFFAOYSA-N -1 3 250.685 3.198 20 0 CGADHM Cn1nc2c(c1Nc1cccc(Cl)c1[O-])CCC2 ZINC001210216678 814347672 /nfs/dbraw/zinc/34/76/72/814347672.db2.gz MKAFRONBVIPFLS-UHFFFAOYSA-N -1 3 263.728 3.011 20 0 CGADHM COC(=O)c1ccc(Nc2cccc(Cl)c2[O-])o1 ZINC001210220016 814348948 /nfs/dbraw/zinc/34/89/48/814348948.db2.gz UUUKQLAEMWZYGV-UHFFFAOYSA-N -1 3 267.668 3.169 20 0 CGADHM CN(C)Cc1ccccc1Nc1cccc(C(=O)[O-])c1F ZINC001210241515 814360268 /nfs/dbraw/zinc/36/02/68/814360268.db2.gz HOLNGIIQCVKUOV-UHFFFAOYSA-N -1 3 288.322 3.329 20 0 CGADHM Cn1ccc(Nc2cc(Cl)c([O-])cc2Cl)n1 ZINC001210352536 814417441 /nfs/dbraw/zinc/41/74/41/814417441.db2.gz BIEUNNBQOSAZIR-UHFFFAOYSA-N -1 3 258.108 3.176 20 0 CGADHM Cc1ccc(Nc2cnc(N3CCC3)nc2)c(Cl)c1[O-] ZINC001210723961 814598355 /nfs/dbraw/zinc/59/83/55/814598355.db2.gz HPPXSRSDTMVDOJ-UHFFFAOYSA-N -1 3 290.754 3.098 20 0 CGADHM Cc1nc(Nc2ccc(OCC(F)(F)F)cc2)cc(=O)[n-]1 ZINC001210741223 814605719 /nfs/dbraw/zinc/60/57/19/814605719.db2.gz KEBUUABOSFGVEE-UHFFFAOYSA-N -1 3 299.252 3.175 20 0 CGADHM COc1c(F)c(F)c([N-]c2ncc(C)o2)c(F)c1F ZINC001210759510 814613189 /nfs/dbraw/zinc/61/31/89/814613189.db2.gz HIXHREAGBWMENJ-UHFFFAOYSA-N -1 3 276.189 3.292 20 0 CGADHM CC(=O)Nc1cc(Nc2cccc([O-])c2Cl)ccn1 ZINC001210854020 814652139 /nfs/dbraw/zinc/65/21/39/814652139.db2.gz VKVVATNRRYHPCS-UHFFFAOYSA-N -1 3 277.711 3.143 20 0 CGADHM CN1Cc2cccc(Nc3cccc([O-])c3Cl)c2C1=O ZINC001210859490 814653894 /nfs/dbraw/zinc/65/38/94/814653894.db2.gz JSEHWDGNUIPSFG-UHFFFAOYSA-N -1 3 288.734 3.375 20 0 CGADHM Cc1cc(N)cc2cnn(-c3cccc([O-])c3Cl)c21 ZINC001210860341 814655309 /nfs/dbraw/zinc/65/53/09/814655309.db2.gz WQWJWBADALVUSW-UHFFFAOYSA-N -1 3 273.723 3.275 20 0 CGADHM Nc1c(F)cc(Nc2ccc([O-])c(F)c2F)cc1F ZINC001210908978 814669366 /nfs/dbraw/zinc/66/93/66/814669366.db2.gz VIJJTWMDYSJPDE-UHFFFAOYSA-N -1 3 272.201 3.274 20 0 CGADHM Cn1cncc1Nc1cc(Cl)c([O-])c(Cl)c1 ZINC001210927697 814677344 /nfs/dbraw/zinc/67/73/44/814677344.db2.gz XQPDDRBEWKSXDM-UHFFFAOYSA-N -1 3 258.108 3.176 20 0 CGADHM c1ccc(-c2cccc(-c3nnn[n-]3)c2)c(OC2CC2)c1 ZINC001242794407 823134141 /nfs/dbraw/zinc/13/41/41/823134141.db2.gz HTMVKXQFOCCFKB-UHFFFAOYSA-N -1 3 278.315 3.075 20 0 CGADHM c1ccc(-c2cccc(-c3nn[n-]n3)c2)c(OC2CC2)c1 ZINC001242794407 823134142 /nfs/dbraw/zinc/13/41/42/823134142.db2.gz HTMVKXQFOCCFKB-UHFFFAOYSA-N -1 3 278.315 3.075 20 0 CGADHM O=c1cc(Nc2c[nH]c3ncccc23)[n-]n1-c1ccccc1 ZINC001210936168 814680092 /nfs/dbraw/zinc/68/00/92/814680092.db2.gz CMUNQYMZKRVUFJ-UHFFFAOYSA-N -1 3 291.314 3.198 20 0 CGADHM [O-]c1cc(Nc2cnn3ccccc23)c(F)cc1F ZINC001211096206 814744233 /nfs/dbraw/zinc/74/42/33/814744233.db2.gz GIHWNYAINVTCCH-UHFFFAOYSA-N -1 3 261.231 3.062 20 0 CGADHM Cc1cc(Nc2cc([O-])c(F)cc2F)ccc1CO ZINC001211583951 814912049 /nfs/dbraw/zinc/91/20/49/814912049.db2.gz ZKEJXJMERJGOIH-UHFFFAOYSA-N -1 3 265.259 3.215 20 0 CGADHM CSc1ccc(Nc2ncc(F)cc2[O-])c(C)n1 ZINC001215907144 815625290 /nfs/dbraw/zinc/62/52/90/815625290.db2.gz PZPVQPIPRXKSNC-UHFFFAOYSA-N -1 3 265.313 3.095 20 0 CGADHM Fc1cc(F)c(Cl)c([N-]c2noc3nccnc23)c1 ZINC001215950397 815638760 /nfs/dbraw/zinc/63/87/60/815638760.db2.gz SVGMKGPKGZZUPW-UHFFFAOYSA-N -1 3 282.637 3.293 20 0 CGADHM COc1cc(Nc2cc([O-])c(F)cc2F)c(Cl)cn1 ZINC001216386372 815807475 /nfs/dbraw/zinc/80/74/75/815807475.db2.gz KXTIZSDQUMEXNW-UHFFFAOYSA-N -1 3 286.665 3.471 20 0 CGADHM [O-]c1c(F)cc(Br)cc1NC1=CCCOC1 ZINC001216512430 815848945 /nfs/dbraw/zinc/84/89/45/815848945.db2.gz YYBVKAILNAFTEW-UHFFFAOYSA-N -1 3 288.116 3.010 20 0 CGADHM [O-]c1ccc(O)cc1-c1nc(-c2ncccc2C2CC2)no1 ZINC001216736920 815895981 /nfs/dbraw/zinc/89/59/81/815895981.db2.gz MWUHQCLIHBPRHW-UHFFFAOYSA-N -1 3 295.298 3.087 20 0 CGADHM [O-]c1cnc2ccccc2c1-c1nc(-c2ccccn2)no1 ZINC001217442463 815927153 /nfs/dbraw/zinc/92/71/53/815927153.db2.gz ZKUUCIBGTTZCAK-UHFFFAOYSA-N -1 3 290.282 3.052 20 0 CGADHM Cc1ncc2ccc(-c3ccc(F)c([O-])c3)cc2n1 ZINC001243051486 823228714 /nfs/dbraw/zinc/22/87/14/823228714.db2.gz MTJLUCGKAHXVNV-UHFFFAOYSA-N -1 3 254.264 3.450 20 0 CGADHM COc1c(F)cc(-c2ccc(F)c([O-])c2)cc1F ZINC001243048533 823225922 /nfs/dbraw/zinc/22/59/22/823225922.db2.gz HMRYNFAKKUPUGY-UHFFFAOYSA-N -1 3 254.207 3.485 20 0 CGADHM Cc1cc(-c2ccc(F)c([O-])c2)nc(-c2cccnc2)n1 ZINC001243048270 823226186 /nfs/dbraw/zinc/22/61/86/823226186.db2.gz NETAVWQSLHMECI-UHFFFAOYSA-N -1 3 281.290 3.359 20 0 CGADHM CCOC(=O)COc1ccccc1-c1ccc(F)c([O-])c1 ZINC001243060907 823232000 /nfs/dbraw/zinc/23/20/00/823232000.db2.gz AGCHRCXUNPOPNB-UHFFFAOYSA-N -1 3 290.290 3.140 20 0 CGADHM [O-]c1coc2cc(O[C@H]3CCc4ccccc43)ccc12 ZINC001225339328 817016562 /nfs/dbraw/zinc/01/65/62/817016562.db2.gz HOHFXIFKSAAKSP-INIZCTEOSA-N -1 3 266.296 3.328 20 0 CGADHM CC(=O)c1ccc([O-])c(O[C@@H]2COCc3ccccc32)c1 ZINC001225994198 817242366 /nfs/dbraw/zinc/24/23/66/817242366.db2.gz LTMIMLNKBRKZLY-QGZVFWFLSA-N -1 3 284.311 3.245 20 0 CGADHM CCC[C@@H](CC(=O)OCC)Oc1cc(C(C)=O)ccc1[O-] ZINC001225997563 817243555 /nfs/dbraw/zinc/24/35/55/817243555.db2.gz DVABFJFWRXFEPW-ZDUSSCGKSA-N -1 3 294.347 3.096 20 0 CGADHM CCCCOC[C@H](C)Oc1[n-]c(=S)ncc1C1CC1 ZINC001226118912 817278453 /nfs/dbraw/zinc/27/84/53/817278453.db2.gz KFGBACQBGDZWCU-JTQLQIEISA-N -1 3 282.409 3.227 20 0 CGADHM C[C@H](Oc1[n-]c(=S)ncc1C1CC1)c1cccnc1F ZINC001226119892 817278657 /nfs/dbraw/zinc/27/86/57/817278657.db2.gz PORSLGMLLODGTP-QMMMGPOBSA-N -1 3 291.351 3.317 20 0 CGADHM CCc1nc(O[C@@H](C)c2cccc(C)c2)cc(=O)[n-]1 ZINC001226474837 817368343 /nfs/dbraw/zinc/36/83/43/817368343.db2.gz HRCXRICWKFFJQP-NSHDSACASA-N -1 3 258.321 3.193 20 0 CGADHM C[C@H](Cc1ccco1)Oc1c([O-])ccc2ccc(=O)oc21 ZINC001226600279 817409801 /nfs/dbraw/zinc/40/98/01/817409801.db2.gz VZQHRXJDUXDOSA-SNVBAGLBSA-N -1 3 286.283 3.102 20 0 CGADHM COC(=O)[C@@H]1CCC[C@H](Oc2cccc([O-])c2Cl)C1 ZINC001226708187 817440215 /nfs/dbraw/zinc/44/02/15/817440215.db2.gz CMIKWGPGSINPTK-ZJUUUORDSA-N -1 3 284.739 3.156 20 0 CGADHM Cc1cc(O[C@@H](C)c2ccc(F)cc2)[n-]c(=S)n1 ZINC001226799275 817468756 /nfs/dbraw/zinc/46/87/56/817468756.db2.gz UBAHCSNCPXYXMQ-VIFPVBQESA-N -1 3 264.325 3.353 20 0 CGADHM COc1ccc2cc([C@@H](C)Oc3cc(=O)[n-]cn3)ccc2c1 ZINC001226945600 817513083 /nfs/dbraw/zinc/51/30/83/817513083.db2.gz XSCYSMOGZCOIQD-LLVKDONJSA-N -1 3 296.326 3.484 20 0 CGADHM C[C@H](Oc1ccc(=O)[n-]n1)c1cccc2ccccc21 ZINC001227094789 817556295 /nfs/dbraw/zinc/55/62/95/817556295.db2.gz KXHHKNVAMHOBNV-NSHDSACASA-N -1 3 266.300 3.475 20 0 CGADHM COC1=CC[C@@H](Oc2cc(=O)cc(C(F)(F)F)[n-]2)CC1 ZINC001227582993 817676737 /nfs/dbraw/zinc/67/67/37/817676737.db2.gz ICQWDYHZCRSKON-SNVBAGLBSA-N -1 3 289.253 3.268 20 0 CGADHM Cc1ccc(-c2ccc3c(N)ccnc3c2)cc1C(=O)[O-] ZINC001243195397 823284802 /nfs/dbraw/zinc/28/48/02/823284802.db2.gz OZBCHZQAOCIMBC-UHFFFAOYSA-N -1 3 278.311 3.491 20 0 CGADHM C[C@H](Oc1ncc(Cl)cc1[O-])c1ncccc1F ZINC001227979923 817771210 /nfs/dbraw/zinc/77/12/10/817771210.db2.gz IHHCFEWDEMPMFU-ZETCQYMHSA-N -1 3 268.675 3.115 20 0 CGADHM C[C@@H](Cc1ccco1)Oc1ncc(Cl)cc1[O-] ZINC001227983624 817772895 /nfs/dbraw/zinc/77/28/95/817772895.db2.gz QIDRACASLCHCQV-QMMMGPOBSA-N -1 3 253.685 3.044 20 0 CGADHM CCCc1c([O-])ccc(C(C)=O)c1O[C@H]1CCO[C@@H](C)C1 ZINC001228134790 817819632 /nfs/dbraw/zinc/81/96/32/817819632.db2.gz RDWQQLFIWDLRDG-AAEUAGOBSA-N -1 3 292.375 3.494 20 0 CGADHM CCC[C@H](C)Oc1c([O-])ccc2c(C)cc(=O)oc21 ZINC001228624219 817956318 /nfs/dbraw/zinc/95/63/18/817956318.db2.gz YMRYWQCVBCBTPG-JTQLQIEISA-N -1 3 262.305 3.374 20 0 CGADHM CCCC/C=C/[C@@H](C)Oc1nnc(-c2cccnc2)[n-]1 ZINC001228696673 817976981 /nfs/dbraw/zinc/97/69/81/817976981.db2.gz AYQHKQQGKBDKGS-WAFBPQNNSA-N -1 3 272.352 3.380 20 0 CGADHM CCCC/C=C/[C@@H](C)Oc1nc(-c2cccnc2)n[n-]1 ZINC001228696673 817976983 /nfs/dbraw/zinc/97/69/83/817976983.db2.gz AYQHKQQGKBDKGS-WAFBPQNNSA-N -1 3 272.352 3.380 20 0 CGADHM CCCC/C=C/[C@@H](C)Oc1n[n-]c(-c2cccnc2)n1 ZINC001228696673 817976988 /nfs/dbraw/zinc/97/69/88/817976988.db2.gz AYQHKQQGKBDKGS-WAFBPQNNSA-N -1 3 272.352 3.380 20 0 CGADHM Fc1ccc2c(c1)CC[C@H]2Oc1nnc(-c2cccnc2)[n-]1 ZINC001228697299 817977590 /nfs/dbraw/zinc/97/75/90/817977590.db2.gz HLQZJGDRDXITDA-CQSZACIVSA-N -1 3 296.305 3.072 20 0 CGADHM Fc1ccc2c(c1)CC[C@H]2Oc1nc(-c2cccnc2)n[n-]1 ZINC001228697299 817977596 /nfs/dbraw/zinc/97/75/96/817977596.db2.gz HLQZJGDRDXITDA-CQSZACIVSA-N -1 3 296.305 3.072 20 0 CGADHM Fc1ccc2c(c1)CC[C@H]2Oc1n[n-]c(-c2cccnc2)n1 ZINC001228697299 817977599 /nfs/dbraw/zinc/97/75/99/817977599.db2.gz HLQZJGDRDXITDA-CQSZACIVSA-N -1 3 296.305 3.072 20 0 CGADHM CCC[C@@H](Oc1n[n-]c(-c2ccncc2)n1)C(C)(C)C ZINC001228698277 817977737 /nfs/dbraw/zinc/97/77/37/817977737.db2.gz WPQDIDIODQPAJE-GFCCVEGCSA-N -1 3 274.368 3.460 20 0 CGADHM Cc1ccc([C@@H](C)Oc2n[n-]c(-c3ccncc3)n2)cc1 ZINC001228699793 817979260 /nfs/dbraw/zinc/97/92/60/817979260.db2.gz JSCCCUSOWAJEGW-GFCCVEGCSA-N -1 3 280.331 3.315 20 0 CGADHM Cc1cccc([C@H](C)Oc2n[n-]c(-c3ccncc3)n2)c1 ZINC001228700163 817979721 /nfs/dbraw/zinc/97/97/21/817979721.db2.gz OOVPDGXBSYEWJH-LBPRGKRZSA-N -1 3 280.331 3.315 20 0 CGADHM C[C@@H]1CCCC[C@@H]1Oc1cc2c(cc1[O-])CCC2=O ZINC001228853780 818023726 /nfs/dbraw/zinc/02/37/26/818023726.db2.gz KTRKHEPFPZVPSA-BMIGLBTASA-N -1 3 260.333 3.479 20 0 CGADHM O=C1CCc2cc([O-])c(O[C@H]3CCc4ccccc4C3)cc21 ZINC001228854281 818024092 /nfs/dbraw/zinc/02/40/92/818024092.db2.gz QJOUWUMTBUQYGM-HNNXBMFYSA-N -1 3 294.350 3.457 20 0 CGADHM C[C@H](Oc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC001231117303 818034093 /nfs/dbraw/zinc/03/40/93/818034093.db2.gz ZGDNNQPTRLCDHQ-JTQLQIEISA-N -1 3 284.294 3.146 20 0 CGADHM C[C@H](Oc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC001231117303 818034097 /nfs/dbraw/zinc/03/40/97/818034097.db2.gz ZGDNNQPTRLCDHQ-JTQLQIEISA-N -1 3 284.294 3.146 20 0 CGADHM c1cc(O[C@@H]2CCC=CCCC2)cc(-c2nnn[n-]2)c1 ZINC001231118416 818035789 /nfs/dbraw/zinc/03/57/89/818035789.db2.gz NGONGKYSLADZMG-CYBMUJFWSA-N -1 3 270.336 3.134 20 0 CGADHM c1cc(O[C@@H]2CCC=CCCC2)cc(-c2nn[n-]n2)c1 ZINC001231118416 818035791 /nfs/dbraw/zinc/03/57/91/818035791.db2.gz NGONGKYSLADZMG-CYBMUJFWSA-N -1 3 270.336 3.134 20 0 CGADHM CC[C@@H]1CCCC[C@@H]1Oc1cccc(-c2nnn[n-]2)c1 ZINC001231118965 818036317 /nfs/dbraw/zinc/03/63/17/818036317.db2.gz XMSQFVXJTQYKKJ-RISCZKNCSA-N -1 3 272.352 3.214 20 0 CGADHM CC[C@@H]1CCCC[C@@H]1Oc1cccc(-c2nn[n-]n2)c1 ZINC001231118965 818036321 /nfs/dbraw/zinc/03/63/21/818036321.db2.gz XMSQFVXJTQYKKJ-RISCZKNCSA-N -1 3 272.352 3.214 20 0 CGADHM [O-]c1ccc(CN2CC(C(F)F)C2)cc1C(F)(F)F ZINC001231528028 818121227 /nfs/dbraw/zinc/12/12/27/818121227.db2.gz XGRSHLHBNCXHNV-UHFFFAOYSA-N -1 3 281.224 3.108 20 0 CGADHM CCC1CCN(Cc2ccc(F)c([O-])c2F)CC1 ZINC001232932493 818475041 /nfs/dbraw/zinc/47/50/41/818475041.db2.gz ZLROLLVLUDSDKR-UHFFFAOYSA-N -1 3 255.308 3.292 20 0 CGADHM C[C@@H]1CCN(Cc2cc(Cl)ncc2[O-])[C@H](C)C1 ZINC001233035161 818506544 /nfs/dbraw/zinc/50/65/44/818506544.db2.gz YRLGZERFZLGFSB-NXEZZACHSA-N -1 3 254.761 3.061 20 0 CGADHM [O-]c1cccc(CN2CCC(OC3CCC3)CC2)c1F ZINC001233051017 818510073 /nfs/dbraw/zinc/51/00/73/818510073.db2.gz YHILXKKAVNTLND-UHFFFAOYSA-N -1 3 279.355 3.065 20 0 CGADHM FC(F)(F)[C@H]1CCN(Cc2ccc([S-])cc2)C1 ZINC001233261641 818557862 /nfs/dbraw/zinc/55/78/62/818557862.db2.gz XMLJZRBZTCTMJE-JTQLQIEISA-N -1 3 261.312 3.360 20 0 CGADHM [O-]c1ccc(F)c(CN(C2CCC2)C2CCOCC2)c1F ZINC001233396930 818610302 /nfs/dbraw/zinc/61/03/02/818610302.db2.gz CZNQWDXULKXACA-UHFFFAOYSA-N -1 3 297.345 3.204 20 0 CGADHM CCOC(=O)[C@@H](CC)Oc1cc(Cl)c([O-])cc1C ZINC001233591307 818651932 /nfs/dbraw/zinc/65/19/32/818651932.db2.gz FHWVAWSEVMVWEF-LLVKDONJSA-N -1 3 272.728 3.075 20 0 CGADHM C[C@@H](Oc1cccc([O-])c1F)c1ncccc1F ZINC001233871511 818722081 /nfs/dbraw/zinc/72/20/81/818722081.db2.gz PIBHDSPFZRWEPH-MRVPVSSYSA-N -1 3 251.232 3.205 20 0 CGADHM [O-]c1ccc(Cl)c(OC[C@H]2CCCCO2)c1F ZINC001234265400 818821007 /nfs/dbraw/zinc/82/10/07/818821007.db2.gz VHSFJOHXMQRNAO-MRVPVSSYSA-N -1 3 260.692 3.133 20 0 CGADHM CCCOC[C@H](C)Oc1c([O-])cc(Cl)cc1F ZINC001234446343 818857360 /nfs/dbraw/zinc/85/73/60/818857360.db2.gz CZZLXGQBXVMGAV-QMMMGPOBSA-N -1 3 262.708 3.379 20 0 CGADHM [O-]c1cc(Cl)cc(F)c1OC[C@@H]1CCC=CO1 ZINC001234448105 818858212 /nfs/dbraw/zinc/85/82/12/818858212.db2.gz OWKMOXDJWZNCFY-VIFPVBQESA-N -1 3 258.676 3.256 20 0 CGADHM COc1cc([O-])c(C)c(O[C@H]2CCC[C@@H]2C)c1C(C)=O ZINC001234791574 818924708 /nfs/dbraw/zinc/92/47/08/818924708.db2.gz PGZILJFNCQTOTC-ZANVPECISA-N -1 3 278.348 3.479 20 0 CGADHM CCC(=O)[C@@H](CC)Oc1c(C)c([O-])cc(OC)c1C(C)=O ZINC001234792288 818924904 /nfs/dbraw/zinc/92/49/04/818924904.db2.gz YGSAAMFHPRBCIL-CYBMUJFWSA-N -1 3 294.347 3.048 20 0 CGADHM C[C@H](Oc1nc2ccsc2[n-]1)c1cnc2ccccn21 ZINC001234850931 818933073 /nfs/dbraw/zinc/93/30/73/818933073.db2.gz BUXFADGCNKLEDE-VIFPVBQESA-N -1 3 284.344 3.412 20 0 CGADHM C[C@H](Oc1nc2sccc2[n-]1)c1cnc2ccccn21 ZINC001234850931 818933078 /nfs/dbraw/zinc/93/30/78/818933078.db2.gz BUXFADGCNKLEDE-VIFPVBQESA-N -1 3 284.344 3.412 20 0 CGADHM CCOC(=O)[C@@H]1CCCC[C@H]1Oc1nc2ccsc2[n-]1 ZINC001234848643 818934160 /nfs/dbraw/zinc/93/41/60/818934160.db2.gz RWRFMEUYBWCIID-MWLCHTKSSA-N -1 3 294.376 3.125 20 0 CGADHM CCOC(=O)[C@@H]1CCCC[C@H]1Oc1nc2sccc2[n-]1 ZINC001234848643 818934165 /nfs/dbraw/zinc/93/41/65/818934165.db2.gz RWRFMEUYBWCIID-MWLCHTKSSA-N -1 3 294.376 3.125 20 0 CGADHM [O-]c1cc(Cl)cc(-c2cnc3cccnc3n2)c1 ZINC001235899681 819209055 /nfs/dbraw/zinc/20/90/55/819209055.db2.gz JRRIMAMNKREVOO-UHFFFAOYSA-N -1 3 257.680 3.051 20 0 CGADHM [O-]c1cc(Cl)cc(-c2cc(-c3nnco3)ccn2)c1 ZINC001235901747 819211986 /nfs/dbraw/zinc/21/19/86/819211986.db2.gz YFPNONPPUFVTNL-UHFFFAOYSA-N -1 3 273.679 3.158 20 0 CGADHM Oc1cc(Cl)cc(-c2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC001235903461 819213229 /nfs/dbraw/zinc/21/32/29/819213229.db2.gz ABKSDXJFBZVAKH-UHFFFAOYSA-N -1 3 290.685 3.032 20 0 CGADHM Oc1cc(Cl)cc(-c2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC001235903461 819213234 /nfs/dbraw/zinc/21/32/34/819213234.db2.gz ABKSDXJFBZVAKH-UHFFFAOYSA-N -1 3 290.685 3.032 20 0 CGADHM [O-]c1cc(CN2CCC[C@@H](C(F)F)C2)ccc1F ZINC001236705290 819577086 /nfs/dbraw/zinc/57/70/86/819577086.db2.gz JSZGPGYERYOWAJ-SNVBAGLBSA-N -1 3 259.271 3.008 20 0 CGADHM [O-]c1cc(CN2CCc3c(F)cccc3C2)ccc1F ZINC001236709708 819578427 /nfs/dbraw/zinc/57/84/27/819578427.db2.gz GXGYAUQESCPVCA-UHFFFAOYSA-N -1 3 275.298 3.229 20 0 CGADHM Cc1ccc2c(c1)CCN(Cc1sc(=O)[n-]c1Cl)C2 ZINC001237153658 819681673 /nfs/dbraw/zinc/68/16/73/819681673.db2.gz FPQZZBHRWPLCBE-UHFFFAOYSA-N -1 3 294.807 3.369 20 0 CGADHM F[C@H]1CCCN(Cc2occc2[S-])CC1(F)F ZINC001237182640 819689156 /nfs/dbraw/zinc/68/91/56/819689156.db2.gz STDRXRPGJYPKNB-JTQLQIEISA-N -1 3 265.300 3.138 20 0 CGADHM CSc1cc(-c2cccc([O-])c2F)ncc1F ZINC001243543787 823436634 /nfs/dbraw/zinc/43/66/34/823436634.db2.gz QFGQPSIVOFYVIJ-UHFFFAOYSA-N -1 3 253.273 3.454 20 0 CGADHM C[C@H]1CCCN(Cc2cc(F)c([O-])c(Cl)c2)C1 ZINC001237983510 819903304 /nfs/dbraw/zinc/90/33/04/819903304.db2.gz BSXBBQNDHSBHLQ-VIFPVBQESA-N -1 3 257.736 3.417 20 0 CGADHM [O-]c1c(F)cc(CN2CC[C@H]3OCCC[C@@H]3C2)cc1Cl ZINC001237989757 819903567 /nfs/dbraw/zinc/90/35/67/819903567.db2.gz KGEVNGYXJCCTCV-BXUZGUMPSA-N -1 3 299.773 3.186 20 0 CGADHM [O-]c1cccc(-c2ncnc3cc(F)cc(F)c32)c1F ZINC001243544988 823437231 /nfs/dbraw/zinc/43/72/31/823437231.db2.gz ZTQHUTUZMDGWDP-UHFFFAOYSA-N -1 3 276.217 3.420 20 0 CGADHM CSc1ncc2ccc(-c3cccc([O-])c3F)nc2n1 ZINC001243544896 823437571 /nfs/dbraw/zinc/43/75/71/823437571.db2.gz YPCBUOJKVFMSSG-UHFFFAOYSA-N -1 3 287.319 3.258 20 0 CGADHM COCc1ccc(-c2cccc([O-])c2F)c(F)c1 ZINC001243545261 823437905 /nfs/dbraw/zinc/43/79/05/823437905.db2.gz APBPBXXUOJJIIS-UHFFFAOYSA-N -1 3 250.244 3.484 20 0 CGADHM COCOc1cc(-c2cccc([O-])c2F)ccc1F ZINC001243545549 823438183 /nfs/dbraw/zinc/43/81/83/823438183.db2.gz DZCBIXZMJPEJPT-UHFFFAOYSA-N -1 3 266.243 3.320 20 0 CGADHM C[C@@H]1C(=O)Nc2cc(-c3cccc([O-])c3F)ccc21 ZINC001243545190 823438396 /nfs/dbraw/zinc/43/83/96/823438396.db2.gz XCXLVOHOZJEVIA-QMMMGPOBSA-N -1 3 257.264 3.254 20 0 CGADHM O=C([O-])c1cc(F)ccc1CN1CCC[C@@H](C(F)F)C1 ZINC001238237108 819967043 /nfs/dbraw/zinc/96/70/43/819967043.db2.gz UMJXZKQYXONKLJ-SNVBAGLBSA-N -1 3 287.281 3.001 20 0 CGADHM COc1ccncc1-c1ccc(C(F)(F)F)cc1[O-] ZINC001243607261 823465938 /nfs/dbraw/zinc/46/59/38/823465938.db2.gz SRMMHFYSNRZRGS-UHFFFAOYSA-N -1 3 269.222 3.482 20 0 CGADHM COC(=O)c1nc2nc(-c3cc(C)cc(C)c3)ccc2[n-]1 ZINC001239526204 820376214 /nfs/dbraw/zinc/37/62/14/820376214.db2.gz PWYBQRMVBXDGGF-UHFFFAOYSA-N -1 3 281.315 3.028 20 0 CGADHM COC(=O)c1nc2ccc(-c3cc(C)cc(C)c3)nc2[n-]1 ZINC001239526204 820376223 /nfs/dbraw/zinc/37/62/23/820376223.db2.gz PWYBQRMVBXDGGF-UHFFFAOYSA-N -1 3 281.315 3.028 20 0 CGADHM COC(=O)c1nc2ccc(-c3cc(C)cc(C)c3)[n-]c-2n1 ZINC001239526204 820376234 /nfs/dbraw/zinc/37/62/34/820376234.db2.gz PWYBQRMVBXDGGF-UHFFFAOYSA-N -1 3 281.315 3.028 20 0 CGADHM CCOc1ccccc1-c1ccc(C)c(-c2nnn[n-]2)c1 ZINC001239559027 820410824 /nfs/dbraw/zinc/41/08/24/820410824.db2.gz DLQISVPNSTWDEI-UHFFFAOYSA-N -1 3 280.331 3.241 20 0 CGADHM CCOc1ccccc1-c1ccc(C)c(-c2nn[n-]n2)c1 ZINC001239559027 820410829 /nfs/dbraw/zinc/41/08/29/820410829.db2.gz DLQISVPNSTWDEI-UHFFFAOYSA-N -1 3 280.331 3.241 20 0 CGADHM CCOc1ccccc1-c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001239560266 820411677 /nfs/dbraw/zinc/41/16/77/820411677.db2.gz IBCHDGYXIPQIQM-UHFFFAOYSA-N -1 3 284.294 3.072 20 0 CGADHM CCOc1ccccc1-c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001239560266 820411681 /nfs/dbraw/zinc/41/16/81/820411681.db2.gz IBCHDGYXIPQIQM-UHFFFAOYSA-N -1 3 284.294 3.072 20 0 CGADHM CCOc1ccccc1-c1ccc(-c2nnn[n-]2)cc1C ZINC001239561573 820413542 /nfs/dbraw/zinc/41/35/42/820413542.db2.gz CJPCNSDEEPQIIP-UHFFFAOYSA-N -1 3 280.331 3.241 20 0 CGADHM CCOc1ccccc1-c1ccc(-c2nn[n-]n2)cc1C ZINC001239561573 820413544 /nfs/dbraw/zinc/41/35/44/820413544.db2.gz CJPCNSDEEPQIIP-UHFFFAOYSA-N -1 3 280.331 3.241 20 0 CGADHM CCc1ccc(-c2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC001239587203 820435530 /nfs/dbraw/zinc/43/55/30/820435530.db2.gz CJGDAXRCPHFMFI-UHFFFAOYSA-N -1 3 264.332 3.405 20 0 CGADHM CCc1ccc(-c2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC001239587203 820435535 /nfs/dbraw/zinc/43/55/35/820435535.db2.gz CJGDAXRCPHFMFI-UHFFFAOYSA-N -1 3 264.332 3.405 20 0 CGADHM CC(=O)c1ccc(-c2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC001239632393 820477887 /nfs/dbraw/zinc/47/78/87/820477887.db2.gz GWKUBNUNXYGVMO-UHFFFAOYSA-N -1 3 278.315 3.045 20 0 CGADHM CC(=O)c1ccc(-c2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC001239632393 820477890 /nfs/dbraw/zinc/47/78/90/820477890.db2.gz GWKUBNUNXYGVMO-UHFFFAOYSA-N -1 3 278.315 3.045 20 0 CGADHM CCc1ccccc1-c1cccc(-c2nnn[n-]2)c1 ZINC001239746376 820568193 /nfs/dbraw/zinc/56/81/93/820568193.db2.gz YQUAKIZFIOOUKX-UHFFFAOYSA-N -1 3 250.305 3.096 20 0 CGADHM CCc1ccccc1-c1cccc(-c2nn[n-]n2)c1 ZINC001239746376 820568198 /nfs/dbraw/zinc/56/81/98/820568198.db2.gz YQUAKIZFIOOUKX-UHFFFAOYSA-N -1 3 250.305 3.096 20 0 CGADHM Cc1ccc(-c2ccc(F)c(-c3nnn[n-]3)c2)cc1F ZINC001239822400 820638076 /nfs/dbraw/zinc/63/80/76/820638076.db2.gz FAAOPEIRHCYPRR-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM Cc1ccc(-c2ccc(F)c(-c3nn[n-]n3)c2)cc1F ZINC001239822400 820638079 /nfs/dbraw/zinc/63/80/79/820638079.db2.gz FAAOPEIRHCYPRR-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM COC(=O)c1nc2nc(-c3cc(C)sc3C)ccc2[n-]1 ZINC001240431255 821051663 /nfs/dbraw/zinc/05/16/63/821051663.db2.gz RIMAFPAWSXFTEV-UHFFFAOYSA-N -1 3 287.344 3.090 20 0 CGADHM COC(=O)c1nc2ccc(-c3cc(C)sc3C)[n-]c-2n1 ZINC001240431255 821051671 /nfs/dbraw/zinc/05/16/71/821051671.db2.gz RIMAFPAWSXFTEV-UHFFFAOYSA-N -1 3 287.344 3.090 20 0 CGADHM S=C1Cc2ccc(-c3cnn(CC4CC4)c3)cc2[N-]1 ZINC001240516407 821113980 /nfs/dbraw/zinc/11/39/80/821113980.db2.gz DHRDFPCOZBJQRQ-UHFFFAOYSA-N -1 3 269.373 3.256 20 0 CGADHM FC(F)(F)c1cc(-c2ccc3c[nH]nc3c2)nc(=S)[n-]1 ZINC001240554771 821138753 /nfs/dbraw/zinc/13/87/53/821138753.db2.gz TUBUIUXDHXWNHT-UHFFFAOYSA-N -1 3 296.277 3.327 20 0 CGADHM Cn1ccc2ccc(-c3cc(F)cc(-c4nnn[n-]4)c3)cc21 ZINC001240576826 821162167 /nfs/dbraw/zinc/16/21/67/821162167.db2.gz MLRKKHDBWDSLJG-UHFFFAOYSA-N -1 3 293.305 3.165 20 0 CGADHM Cn1ccc2ccc(-c3cc(F)cc(-c4nn[n-]n4)c3)cc21 ZINC001240576826 821162172 /nfs/dbraw/zinc/16/21/72/821162172.db2.gz MLRKKHDBWDSLJG-UHFFFAOYSA-N -1 3 293.305 3.165 20 0 CGADHM Cc1ccc(-c2ccc(-c3nnn[n-]3)cc2C)cc1C ZINC001240702716 821258865 /nfs/dbraw/zinc/25/88/65/821258865.db2.gz QBLKRZHFVFTTNW-UHFFFAOYSA-N -1 3 264.332 3.459 20 0 CGADHM Cc1ccc(-c2ccc(-c3nn[n-]n3)cc2C)cc1C ZINC001240702716 821258869 /nfs/dbraw/zinc/25/88/69/821258869.db2.gz QBLKRZHFVFTTNW-UHFFFAOYSA-N -1 3 264.332 3.459 20 0 CGADHM CC1CCN(c2ccc(-c3ccc([O-])c(F)c3)nn2)CC1 ZINC001240783059 821322919 /nfs/dbraw/zinc/32/29/19/821322919.db2.gz OFQOUZACWVAFNW-UHFFFAOYSA-N -1 3 287.338 3.225 20 0 CGADHM COc1cc(F)c(-c2ccc([O-])c(F)c2)cc1F ZINC001240785971 821325183 /nfs/dbraw/zinc/32/51/83/821325183.db2.gz XPJFEJLBSVSSDG-UHFFFAOYSA-N -1 3 254.207 3.485 20 0 CGADHM O=C1c2cc(-c3ccc([O-])c(F)c3)ccc2CN1C1CC1 ZINC001240786345 821326810 /nfs/dbraw/zinc/32/68/10/821326810.db2.gz HTNLQECZWBTUKY-UHFFFAOYSA-N -1 3 283.302 3.317 20 0 CGADHM Cn1cc(-c2ccc([O-])c(F)c2)c2ccccc2c1=O ZINC001240786969 821327866 /nfs/dbraw/zinc/32/78/66/821327866.db2.gz DRULHAXCYLTWTQ-UHFFFAOYSA-N -1 3 269.275 3.050 20 0 CGADHM O=C1CSCN1c1ccc(-c2ccc([O-])c(F)c2)cc1 ZINC001240786257 821327881 /nfs/dbraw/zinc/32/78/81/821327881.db2.gz CSCILTSJURKHSR-UHFFFAOYSA-N -1 3 289.331 3.236 20 0 CGADHM C[C@H]1CCCN(c2cc(-c3ccc([O-])c(F)c3)ncn2)C1 ZINC001240786101 821327915 /nfs/dbraw/zinc/32/79/15/821327915.db2.gz LRCRJHXQOHMEAH-NSHDSACASA-N -1 3 287.338 3.225 20 0 CGADHM CCOC(=O)c1ncc(-c2ccc([O-])c(F)c2)cc1C ZINC001240787542 821328502 /nfs/dbraw/zinc/32/85/02/821328502.db2.gz KETLYFDRRNXOPH-UHFFFAOYSA-N -1 3 275.279 3.078 20 0 CGADHM CCOC(=O)c1ccccc1-c1ccc([O-])c(F)c1 ZINC001240787123 821328610 /nfs/dbraw/zinc/32/86/10/821328610.db2.gz MRBQTFHXXTWUTA-UHFFFAOYSA-N -1 3 260.264 3.375 20 0 CGADHM CCOC(=O)Cc1ccc(-c2ccc([O-])c(F)c2)cc1F ZINC001240789790 821332434 /nfs/dbraw/zinc/33/24/34/821332434.db2.gz FDRAWLJQNIZQPM-UHFFFAOYSA-N -1 3 292.281 3.443 20 0 CGADHM O=c1c(-c2ccc([O-])c(F)c2)cccn1Cc1ccccc1 ZINC001240790587 821334150 /nfs/dbraw/zinc/33/41/50/821334150.db2.gz PKGOHXXJAUJWHX-UHFFFAOYSA-N -1 3 295.313 3.408 20 0 CGADHM COc1cc(C(F)(F)F)cc(-c2ccccc2[O-])n1 ZINC001241001921 821480655 /nfs/dbraw/zinc/48/06/55/821480655.db2.gz MFUFHIZCXMVXNM-UHFFFAOYSA-N -1 3 269.222 3.482 20 0 CGADHM [O-]c1ccccc1-c1ncncc1OCc1ccccc1 ZINC001241003831 821482872 /nfs/dbraw/zinc/48/28/72/821482872.db2.gz VJCCSSFSHISCFH-UHFFFAOYSA-N -1 3 278.311 3.428 20 0 CGADHM CC1CCN(C(=O)c2ccc(-c3ccccc3[O-])nc2)CC1 ZINC001241008903 821485301 /nfs/dbraw/zinc/48/53/01/821485301.db2.gz WVMQWGFXDFBGRN-UHFFFAOYSA-N -1 3 296.370 3.326 20 0 CGADHM CCc1noc(-c2ccnc(-c3ccccc3[O-])c2)n1 ZINC001241009773 821486468 /nfs/dbraw/zinc/48/64/68/821486468.db2.gz WRWGFPMVDRYSCS-UHFFFAOYSA-N -1 3 267.288 3.067 20 0 CGADHM CCOc1cc(-c2ccc(C)cc2[O-])nc(SC)n1 ZINC001241030136 821504932 /nfs/dbraw/zinc/50/49/32/821504932.db2.gz FTNHHZBOYOVMSP-UHFFFAOYSA-N -1 3 276.361 3.278 20 0 CGADHM Cc1ccc(-c2ncccc2OC(F)F)c([O-])c1 ZINC001241030081 821505530 /nfs/dbraw/zinc/50/55/30/821505530.db2.gz CQWJIIOULZIMFW-UHFFFAOYSA-N -1 3 251.232 3.364 20 0 CGADHM Cc1ccc(-c2cc(C(F)(F)F)cnn2)c([O-])c1 ZINC001241031089 821506587 /nfs/dbraw/zinc/50/65/87/821506587.db2.gz XWJOHXBJLUULGD-UHFFFAOYSA-N -1 3 254.211 3.176 20 0 CGADHM CC(C)OC(=O)c1cccnc1-c1cc([O-])cc(F)c1 ZINC001241261346 821681662 /nfs/dbraw/zinc/68/16/62/821681662.db2.gz KJERPMMUXZVPSC-UHFFFAOYSA-N -1 3 275.279 3.159 20 0 CGADHM COC(=O)c1ccc(-c2cc([O-])cc(F)c2)c2cc[nH]c21 ZINC001241271809 821690133 /nfs/dbraw/zinc/69/01/33/821690133.db2.gz KPZQJUYEMITDOO-UHFFFAOYSA-N -1 3 285.274 3.466 20 0 CGADHM CCOC(=O)c1ccc(OC)cc1-c1cc([O-])cc(F)c1 ZINC001241277210 821696502 /nfs/dbraw/zinc/69/65/02/821696502.db2.gz HQLUEOPFXCXEIV-UHFFFAOYSA-N -1 3 290.290 3.384 20 0 CGADHM Cc1cc(-c2cc(F)cc(-c3nnn[n-]3)c2)ccc1F ZINC001241283028 821703383 /nfs/dbraw/zinc/70/33/83/821703383.db2.gz UPEWTMKVMDRJAQ-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM Cc1cc(-c2cc(F)cc(-c3nn[n-]n3)c2)ccc1F ZINC001241283028 821703386 /nfs/dbraw/zinc/70/33/86/821703386.db2.gz UPEWTMKVMDRJAQ-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM CC(=O)Nc1ccccc1-c1c(F)ccc([O-])c1F ZINC001241292467 821709969 /nfs/dbraw/zinc/70/99/69/821709969.db2.gz AKIWAQAYKYJABN-UHFFFAOYSA-N -1 3 263.243 3.296 20 0 CGADHM O=C1CCc2cccc(-c3c(F)ccc([O-])c3F)c2N1 ZINC001241292534 821709980 /nfs/dbraw/zinc/70/99/80/821709980.db2.gz FGBCXRLAUOESTI-UHFFFAOYSA-N -1 3 275.254 3.222 20 0 CGADHM Cc1ccc(-c2c(F)ccc([O-])c2F)cc1S(C)(=O)=O ZINC001241292943 821711123 /nfs/dbraw/zinc/71/11/23/821711123.db2.gz OJGAWZZFHDXWGN-UHFFFAOYSA-N -1 3 298.310 3.049 20 0 CGADHM COc1ccc(-c2c(F)ccc([O-])c2F)cc1OC ZINC001241292935 821711285 /nfs/dbraw/zinc/71/12/85/821711285.db2.gz OFZMDAMRNRZATA-UHFFFAOYSA-N -1 3 266.243 3.355 20 0 CGADHM CN1Cc2cccc(-c3c(F)ccc([O-])c3F)c2NC1=O ZINC001241295478 821713595 /nfs/dbraw/zinc/71/35/95/821713595.db2.gz SGMXULOKQODCMU-UHFFFAOYSA-N -1 3 290.269 3.315 20 0 CGADHM O=C1OCc2cc(-c3c(F)ccc([O-])c3F)cc(F)c21 ZINC001241295409 821713714 /nfs/dbraw/zinc/71/37/14/821713714.db2.gz QDRUDGMEJMWHFY-UHFFFAOYSA-N -1 3 280.201 3.147 20 0 CGADHM Cc1ccc2nc(-c3ccc(-c4nnn[n-]4)cc3)ccc2c1 ZINC001241441266 821835074 /nfs/dbraw/zinc/83/50/74/821835074.db2.gz RKLJBJOGGLXIAB-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM Cc1ccc2nc(-c3ccc(-c4nn[n-]n4)cc3)ccc2c1 ZINC001241441266 821835083 /nfs/dbraw/zinc/83/50/83/821835083.db2.gz RKLJBJOGGLXIAB-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM c1cc2nc(-c3ccc(-c4nnn[n-]4)cc3)ccc2s1 ZINC001241441706 821835625 /nfs/dbraw/zinc/83/56/25/821835625.db2.gz SXAJQRAKUXAJMS-UHFFFAOYSA-N -1 3 279.328 3.143 20 0 CGADHM c1cc2nc(-c3ccc(-c4nn[n-]n4)cc3)ccc2s1 ZINC001241441706 821835629 /nfs/dbraw/zinc/83/56/29/821835629.db2.gz SXAJQRAKUXAJMS-UHFFFAOYSA-N -1 3 279.328 3.143 20 0 CGADHM c1nc2cc(-c3ccc(-c4nnn[n-]4)cc3)ccc2s1 ZINC001241442668 821836781 /nfs/dbraw/zinc/83/67/81/821836781.db2.gz BFWWAYWWJIHPMG-UHFFFAOYSA-N -1 3 279.328 3.143 20 0 CGADHM c1nc2cc(-c3ccc(-c4nn[n-]n4)cc3)ccc2s1 ZINC001241442668 821836788 /nfs/dbraw/zinc/83/67/88/821836788.db2.gz BFWWAYWWJIHPMG-UHFFFAOYSA-N -1 3 279.328 3.143 20 0 CGADHM Fc1cccc2c1ccnc2-c1ccc(-c2nnn[n-]2)cc1 ZINC001241442584 821836870 /nfs/dbraw/zinc/83/68/70/821836870.db2.gz NOCDDLXIEQVIHB-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Fc1cccc2c1ccnc2-c1ccc(-c2nn[n-]n2)cc1 ZINC001241442584 821836877 /nfs/dbraw/zinc/83/68/77/821836877.db2.gz NOCDDLXIEQVIHB-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Fc1cnc(-c2ccc(-c3nnn[n-]3)cc2)c2ccccc12 ZINC001241441562 821837081 /nfs/dbraw/zinc/83/70/81/821837081.db2.gz NJCYXOOPUNSKJG-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Fc1cnc(-c2ccc(-c3nn[n-]n3)cc2)c2ccccc12 ZINC001241441562 821837092 /nfs/dbraw/zinc/83/70/92/821837092.db2.gz NJCYXOOPUNSKJG-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM CC(C)c1ccc(-c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC001241444962 821840865 /nfs/dbraw/zinc/84/08/65/821840865.db2.gz FSMPLBRXROIFSP-UHFFFAOYSA-N -1 3 265.320 3.052 20 0 CGADHM Cc1cc(N(C)C)cc(C)c1-c1ccc(-c2nnn[n-]2)cc1 ZINC001241445371 821840786 /nfs/dbraw/zinc/84/07/86/821840786.db2.gz ONDLGFPNPZQVSA-UHFFFAOYSA-N -1 3 293.374 3.217 20 0 CGADHM Cc1cc(N(C)C)cc(C)c1-c1ccc(-c2nn[n-]n2)cc1 ZINC001241445371 821840791 /nfs/dbraw/zinc/84/07/91/821840791.db2.gz ONDLGFPNPZQVSA-UHFFFAOYSA-N -1 3 293.374 3.217 20 0 CGADHM CC(C)c1ccc(-c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC001241444962 821840873 /nfs/dbraw/zinc/84/08/73/821840873.db2.gz FSMPLBRXROIFSP-UHFFFAOYSA-N -1 3 265.320 3.052 20 0 CGADHM c1nn(C2CCCCC2)cc1-c1ccccc1-c1nnn[n-]1 ZINC001241840080 822174866 /nfs/dbraw/zinc/17/48/66/822174866.db2.gz TXTULEWBKLPNSX-UHFFFAOYSA-N -1 3 294.362 3.235 20 0 CGADHM c1nn(C2CCCCC2)cc1-c1ccccc1-c1nn[n-]n1 ZINC001241840080 822174870 /nfs/dbraw/zinc/17/48/70/822174870.db2.gz TXTULEWBKLPNSX-UHFFFAOYSA-N -1 3 294.362 3.235 20 0 CGADHM CO[C@@H](C)c1cccc(-c2cc(-c3nnn[n-]3)ccc2F)c1 ZINC001242037471 822299286 /nfs/dbraw/zinc/29/92/86/822299286.db2.gz VMJNOVINULNWDJ-JTQLQIEISA-N -1 3 298.321 3.380 20 0 CGADHM CO[C@@H](C)c1cccc(-c2cc(-c3nn[n-]n3)ccc2F)c1 ZINC001242037471 822299288 /nfs/dbraw/zinc/29/92/88/822299288.db2.gz VMJNOVINULNWDJ-JTQLQIEISA-N -1 3 298.321 3.380 20 0 CGADHM COc1ccncc1-c1ccc2c(c1)[N-]C(=S)C2 ZINC001242060067 822317421 /nfs/dbraw/zinc/31/74/21/822317421.db2.gz NZZWBKDIAHDGKG-UHFFFAOYSA-N -1 3 256.330 3.053 20 0 CGADHM O=C1NCc2cccc(-c3ccc([O-])c(C(F)(F)F)c3)c21 ZINC001242157940 822899122 /nfs/dbraw/zinc/89/91/22/822899122.db2.gz OYRKGYOSQHGITM-UHFFFAOYSA-N -1 3 293.244 3.321 20 0 CGADHM COC(=O)c1c(F)cc(-c2ccc(F)cc2[O-])cc1F ZINC001242217568 822915237 /nfs/dbraw/zinc/91/52/37/822915237.db2.gz FCQKIYBQRZJQQL-UHFFFAOYSA-N -1 3 282.217 3.263 20 0 CGADHM O=c1ccc(-c2ccc(F)cc2[O-])cn1-c1ccccc1 ZINC001242219275 822915443 /nfs/dbraw/zinc/91/54/43/822915443.db2.gz AKMCMIDITIEMMT-UHFFFAOYSA-N -1 3 281.286 3.349 20 0 CGADHM CCOC(=O)c1cc(-c2ccc(F)cc2[O-])cnc1C ZINC001242221087 822916843 /nfs/dbraw/zinc/91/68/43/822916843.db2.gz PJRGNTOLGXTCOH-UHFFFAOYSA-N -1 3 275.279 3.078 20 0 CGADHM CN(C)c1ncc2cc(-c3ccc(F)cc3[O-])ccc2n1 ZINC001242220678 822916858 /nfs/dbraw/zinc/91/68/58/822916858.db2.gz KODGZZPSZIFALQ-UHFFFAOYSA-N -1 3 283.306 3.208 20 0 CGADHM CC(C)Oc1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC001242223417 822917859 /nfs/dbraw/zinc/91/78/59/822917859.db2.gz XNDATZRMYYNDIM-UHFFFAOYSA-N -1 3 280.331 3.321 20 0 CGADHM CC(C)Oc1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC001242223417 822917860 /nfs/dbraw/zinc/91/78/60/822917860.db2.gz XNDATZRMYYNDIM-UHFFFAOYSA-N -1 3 280.331 3.321 20 0 CGADHM COc1c(F)cc(-c2cccc(F)c2[O-])cc1F ZINC001242351355 822961401 /nfs/dbraw/zinc/96/14/01/822961401.db2.gz HQKUXGNVLFZCDK-UHFFFAOYSA-N -1 3 254.207 3.485 20 0 CGADHM [O-]c1c(F)cccc1-c1ccnc(OC2CCOCC2)c1 ZINC001242352399 822961690 /nfs/dbraw/zinc/96/16/90/822961690.db2.gz GEXZSMULAUFPRQ-UHFFFAOYSA-N -1 3 289.306 3.151 20 0 CGADHM COC(=O)/C=C\c1ccc(-c2cccc(F)c2[O-])cc1 ZINC001242352939 822962550 /nfs/dbraw/zinc/96/25/50/822962550.db2.gz HQGOLQWZJUQFLO-YFHOEESVSA-N -1 3 272.275 3.385 20 0 CGADHM O=C(OCCc1ccc(F)c(F)c1)c1cc2occc2[n-]1 ZINC001339359221 936369004 /nfs/dbraw/zinc/36/90/04/936369004.db2.gz QQABUMFOWZPBPB-UHFFFAOYSA-N -1 3 291.253 3.439 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CC[C@H]2C(C)(C)C)c1 ZINC001339401818 936371055 /nfs/dbraw/zinc/37/10/55/936371055.db2.gz LMCYQBHWOPTPLA-AWEZNQCLSA-N -1 3 261.365 3.215 20 0 CGADHM Cc1nc(COC(=O)c2cccc(Cl)c2[O-])c(C)s1 ZINC001341784209 936451609 /nfs/dbraw/zinc/45/16/09/936451609.db2.gz KUWHSZCXTQKBHT-UHFFFAOYSA-N -1 3 297.763 3.476 20 0 CGADHM CC[C@H](C)n1nccc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC001346701562 936857379 /nfs/dbraw/zinc/85/73/79/936857379.db2.gz VVSOCSKMGINDNV-VIFPVBQESA-N -1 3 293.754 3.465 20 0 CGADHM CC(C)(C)O[N-]C(=O)CC(C1CCC1)C1CCC1 ZINC001351706006 937023247 /nfs/dbraw/zinc/02/32/47/937023247.db2.gz MQTREGPMMYIJJB-UHFFFAOYSA-N -1 3 253.386 3.439 20 0 CGADHM Cc1ncc(CN[C@H](C)c2cccc([O-])c2F)s1 ZINC001352083932 937035592 /nfs/dbraw/zinc/03/55/92/937035592.db2.gz HEPYGTCVDJBKIY-MRVPVSSYSA-N -1 3 266.341 3.147 20 0 CGADHM Cc1conc1C(=O)[N-]c1csnc1-c1ccccc1 ZINC001353834472 937078438 /nfs/dbraw/zinc/07/84/38/937078438.db2.gz NXKLSEHPDFUSRV-UHFFFAOYSA-N -1 3 285.328 3.359 20 0 CGADHM CCCC/C=C/[C@H](C)Oc1nc(C(=O)OC)ccc1[O-] ZINC001227827265 927270185 /nfs/dbraw/zinc/27/01/85/927270185.db2.gz YVCAYSXUUUECGM-AEZGRPFRSA-N -1 3 279.336 3.088 20 0 CGADHM O=C([N-]c1cnoc1)c1cscc1C(F)(F)F ZINC001357929328 937183143 /nfs/dbraw/zinc/18/31/43/937183143.db2.gz FXSUKVGUNCJMPC-UHFFFAOYSA-N -1 3 262.212 3.007 20 0 CGADHM CC(=O)c1cccc(NC(=O)c2ccc(C(C)=O)c([O-])c2)c1 ZINC001440496881 937330320 /nfs/dbraw/zinc/33/03/20/937330320.db2.gz SIZBIHWKMQFZHA-UHFFFAOYSA-N -1 3 297.310 3.050 20 0 CGADHM COc1ccc(C(=O)NC(C)(C)c2cccc(C)c2)c([O-])c1 ZINC001444422826 937351806 /nfs/dbraw/zinc/35/18/06/937351806.db2.gz DNTAEHBGNVYRPJ-UHFFFAOYSA-N -1 3 299.370 3.374 20 0 CGADHM CC[C@@H](C)[C@H](NC(=O)c1ccc(C)cc1[O-])C(F)(F)F ZINC001448551623 937375363 /nfs/dbraw/zinc/37/53/63/937375363.db2.gz KSOXIFYIYKSNSK-SKDRFNHKSA-N -1 3 289.297 3.407 20 0 CGADHM C=COc1ccc(NC(=O)c2ccc(C(C)=O)c([O-])c2)cc1 ZINC001451144208 937388911 /nfs/dbraw/zinc/38/89/11/937388911.db2.gz MAZLKGRHHNWZHQ-UHFFFAOYSA-N -1 3 297.310 3.369 20 0 CGADHM CC(=O)c1ccc(C(=O)Nc2cc(C3CC3)ccn2)cc1[O-] ZINC001450629681 937386866 /nfs/dbraw/zinc/38/68/66/937386866.db2.gz PQDSJCBYUMWBQZ-UHFFFAOYSA-N -1 3 296.326 3.120 20 0 CGADHM Cc1ccc(C(=O)NC[C@H]2C[C@@H]2c2ccccc2)c([O-])c1 ZINC001452251930 937394257 /nfs/dbraw/zinc/39/42/57/937394257.db2.gz HTMBQVFWNYYTRH-GDBMZVCRSA-N -1 3 281.355 3.234 20 0 CGADHM C[C@H]1C[C@H](Oc2cccc([O-])c2Br)CCO1 ZINC001229143339 932104495 /nfs/dbraw/zinc/10/44/95/932104495.db2.gz VNHUPUWQUSJZJY-DTWKUNHWSA-N -1 3 287.153 3.101 20 0 CGADHM CO[C@H]1CCCC[C@@H]1Oc1nc(=S)[n-]c2sccc21 ZINC001229565538 932172370 /nfs/dbraw/zinc/17/23/70/932172370.db2.gz IQOPKBZTHYBTJE-UWVGGRQHSA-N -1 3 296.417 3.316 20 0 CGADHM Cc1nc(O[C@@H](C)c2cccs2)c(C)c(=O)[n-]1 ZINC001229684016 932188692 /nfs/dbraw/zinc/18/86/92/932188692.db2.gz SOTZWADXSCGFFT-QMMMGPOBSA-N -1 3 250.323 3.001 20 0 CGADHM CCO[C@@H]1C[C@H](N(C)Cc2ccc([O-])c(F)c2F)C1(C)C ZINC001461860123 937601665 /nfs/dbraw/zinc/60/16/65/937601665.db2.gz NRBCACOVZQVFLB-QWHCGFSZSA-N -1 3 299.361 3.306 20 0 CGADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)c1cccs1 ZINC001229957447 932509783 /nfs/dbraw/zinc/50/97/83/932509783.db2.gz KDSBTNIXKDGYDJ-VIFPVBQESA-N -1 3 272.333 3.068 20 0 CGADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)c1cccs1 ZINC001229957447 932509786 /nfs/dbraw/zinc/50/97/86/932509786.db2.gz KDSBTNIXKDGYDJ-VIFPVBQESA-N -1 3 272.333 3.068 20 0 CGADHM CC(C)CC[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC001229954715 932510106 /nfs/dbraw/zinc/51/01/06/932510106.db2.gz NPWZWOSDHRKYTJ-LLVKDONJSA-N -1 3 260.341 3.070 20 0 CGADHM CC(C)CC[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC001229954715 932510107 /nfs/dbraw/zinc/51/01/07/932510107.db2.gz NPWZWOSDHRKYTJ-LLVKDONJSA-N -1 3 260.341 3.070 20 0 CGADHM C[C@H](Oc1nc(=O)[n-]c2c1SCC2)c1cccs1 ZINC001230790612 932624687 /nfs/dbraw/zinc/62/46/87/932624687.db2.gz OAUILEMWTWXYDA-ZETCQYMHSA-N -1 3 280.374 3.032 20 0 CGADHM O=c1nc2cccc(Cl)c2c(OC2CC=CC2)[n-]1 ZINC001230883704 932635027 /nfs/dbraw/zinc/63/50/27/932635027.db2.gz AQRFOVXVBJFCGL-UHFFFAOYSA-N -1 3 262.696 3.086 20 0 CGADHM C[C@@H]1CC[C@@H](C)[C@@H](Oc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001231072392 932670811 /nfs/dbraw/zinc/67/08/11/932670811.db2.gz CDPHPWFUZIQTIO-GYSYKLTISA-N -1 3 272.352 3.070 20 0 CGADHM C[C@@H]1CCC[C@@H](Oc2ccc(-c3nn[n-]n3)cc2)[C@H]1C ZINC001231076822 932673269 /nfs/dbraw/zinc/67/32/69/932673269.db2.gz MYQSWTDEDYRHAG-UHIISALHSA-N -1 3 272.352 3.070 20 0 CGADHM COCc1cc(-c2cc(C)c(F)c([O-])c2)nc(SC)n1 ZINC001244505368 932708193 /nfs/dbraw/zinc/70/81/93/932708193.db2.gz DYJHHCUDSFLDQI-UHFFFAOYSA-N -1 3 294.351 3.165 20 0 CGADHM COc1cc(Nc2nc3c(cccc3[O-])s2)ccc1N ZINC001249713116 932717868 /nfs/dbraw/zinc/71/78/68/932717868.db2.gz MXYBGSYKXPAKLN-UHFFFAOYSA-N -1 3 287.344 3.336 20 0 CGADHM CC(C)c1oncc1[N-]C(=O)c1cc(F)c(F)c(F)c1 ZINC001303586019 932828407 /nfs/dbraw/zinc/82/84/07/932828407.db2.gz KNRMPXPOERMMDN-UHFFFAOYSA-N -1 3 284.237 3.468 20 0 CGADHM COc1cccc([O-])c1C(=O)NC[C@@H]1CCC=CCCC1 ZINC001304904874 932859641 /nfs/dbraw/zinc/85/96/41/932859641.db2.gz KFWWLHJPDCIRDV-CYBMUJFWSA-N -1 3 289.375 3.267 20 0 CGADHM O=C(NC1CCC(C2CCC2)CC1)c1c([O-])cccc1O ZINC001306877800 932891811 /nfs/dbraw/zinc/89/18/11/932891811.db2.gz JEMXEMCHRORLLN-UHFFFAOYSA-N -1 3 289.375 3.187 20 0 CGADHM CC(C)(C)c1csc(CN[C@H]2CC[C@@H](C(=O)[O-])CC2)n1 ZINC001339267673 932916770 /nfs/dbraw/zinc/91/67/70/932916770.db2.gz KFPINXUOMUEQCW-PHIMTYICSA-N -1 3 296.436 3.174 20 0 CGADHM CCc1ccc(C(=O)N[C@@H](C)Cc2ccsc2)c([O-])c1 ZINC001464399460 937690248 /nfs/dbraw/zinc/69/02/48/937690248.db2.gz KQGWNTVYJDIRPK-NSHDSACASA-N -1 3 289.400 3.377 20 0 CGADHM Cc1ccc(C(=O)N[C@@H]2C[C@H]2C2CCCCC2)c([O-])c1 ZINC001465515829 937701242 /nfs/dbraw/zinc/70/12/42/937701242.db2.gz ULAIVGLDLXHQQG-LSDHHAIUSA-N -1 3 273.376 3.399 20 0 CGADHM Cc1ccc(C(=O)N[C@H]2C[C@H]2C2CCCCC2)c([O-])c1 ZINC001465515827 937701382 /nfs/dbraw/zinc/70/13/82/937701382.db2.gz ULAIVGLDLXHQQG-GJZGRUSLSA-N -1 3 273.376 3.399 20 0 CGADHM CCc1ccc(C(=O)NC[C@H]2CCC[C@@H]2C)c([O-])c1 ZINC001467441953 937718349 /nfs/dbraw/zinc/71/83/49/937718349.db2.gz SVBOKXMKILBEIS-WCQYABFASA-N -1 3 261.365 3.121 20 0 CGADHM CC(=O)c1ccc(C(=O)N2CCc3cc(C)ccc32)cc1[O-] ZINC001467775660 937722077 /nfs/dbraw/zinc/72/20/77/937722077.db2.gz SLHAIBCRMHECAA-UHFFFAOYSA-N -1 3 295.338 3.106 20 0 CGADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CC=CC1 ZINC001468754271 937731463 /nfs/dbraw/zinc/73/14/63/937731463.db2.gz SNDYEAFLLYRCFY-UHFFFAOYSA-N -1 3 293.366 3.189 20 0 CGADHM O=C(Nc1[nH][n-]c2cc(=O)ccc1-2)[C@H]1CCC=CCCC1 ZINC001468311464 937726969 /nfs/dbraw/zinc/72/69/69/937726969.db2.gz RPLXOHTWKUJSTK-NSHDSACASA-N -1 3 285.347 3.344 20 0 CGADHM C[C@@H](OC1CCCCC1)C(=O)Nc1cccc([O-])c1F ZINC001320326123 934031152 /nfs/dbraw/zinc/03/11/52/934031152.db2.gz LESGMMNCVDHLCV-SNVBAGLBSA-N -1 3 281.327 3.208 20 0 CGADHM CC[C@@H](NC(=O)c1c(C)cccc1[O-])[C@H]1CC1(C)C ZINC001469142944 937735539 /nfs/dbraw/zinc/73/55/39/937735539.db2.gz STDJBXVCRHRLTH-VXGBXAGGSA-N -1 3 261.365 3.255 20 0 CGADHM CSc1cccnc1[N-]C(=O)c1ncccc1SC ZINC001469786301 937743616 /nfs/dbraw/zinc/74/36/16/937743616.db2.gz FBHTXGLOIYAEFT-UHFFFAOYSA-N -1 3 291.401 3.173 20 0 CGADHM COc1cccc(NC(=O)c2ccc(C)cc2[O-])c1C ZINC001470124109 937748343 /nfs/dbraw/zinc/74/83/43/937748343.db2.gz POMKWGUIIIGLPO-UHFFFAOYSA-N -1 3 271.316 3.270 20 0 CGADHM Cc1cccc(F)c1C(=O)Nc1cc(F)ccc1[O-] ZINC001322574526 934317637 /nfs/dbraw/zinc/31/76/37/934317637.db2.gz FATSHQWDWPGRDV-UHFFFAOYSA-N -1 3 263.243 3.231 20 0 CGADHM O=C(NCc1cccc(Cl)c1F)c1ccccc1[O-] ZINC001323282283 934378927 /nfs/dbraw/zinc/37/89/27/934378927.db2.gz GFYRFJAQJTZCEM-UHFFFAOYSA-N -1 3 279.698 3.115 20 0 CGADHM CC(C)O[N-]C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC001324792328 934566938 /nfs/dbraw/zinc/56/69/38/934566938.db2.gz ULRYAYJMXJIJPM-UHFFFAOYSA-N -1 3 263.381 3.373 20 0 CGADHM C[C@@H](CCCNCc1nc(C(C)(C)C)cs1)C(=O)[O-] ZINC001331846192 935414051 /nfs/dbraw/zinc/41/40/51/935414051.db2.gz NOSWHQKKOGUWNE-JTQLQIEISA-N -1 3 284.425 3.031 20 0 CGADHM CC[C@@H](C)n1nccc1C(=O)Nc1c([O-])cccc1Cl ZINC001521632634 938033332 /nfs/dbraw/zinc/03/33/32/938033332.db2.gz GVQKGOWGOGEZCG-SECBINFHSA-N -1 3 293.754 3.465 20 0 CGADHM Cc1ccc(-c2cc(C(=O)[N-]c3ccsn3)on2)cc1 ZINC001533253744 938089816 /nfs/dbraw/zinc/08/98/16/938089816.db2.gz DNFCGOUAWWNCOB-UHFFFAOYSA-N -1 3 285.328 3.359 20 0 CGADHM Cc1c([N-]C(=O)c2ocnc2C2CC2)noc1C(C)(C)C ZINC001535812450 938102717 /nfs/dbraw/zinc/10/27/17/938102717.db2.gz NIQFGVPQCSMHTE-UHFFFAOYSA-N -1 3 289.335 3.398 20 0 CGADHM CCOc1cc(C(=O)[N-]c2c(C)c(F)ccc2Cl)on1 ZINC001540105111 938128116 /nfs/dbraw/zinc/12/81/16/938128116.db2.gz UURHPUSZGIWLHA-UHFFFAOYSA-N -1 3 298.701 3.427 20 0 CGADHM O=C([O-])[C@]12CCC[C@@H]1N(c1ccnc3ccccc31)CC2 ZINC001549895022 938160650 /nfs/dbraw/zinc/16/06/50/938160650.db2.gz NUSLURJTAJAEBY-RDJZCZTQSA-N -1 3 282.343 3.068 20 0 CGADHM O=C(Cc1cccc([O-])c1F)N1CC[C@H]1C1CCCCC1 ZINC001551755332 938185728 /nfs/dbraw/zinc/18/57/28/938185728.db2.gz DBQLYUKMIUACDG-AWEZNQCLSA-N -1 3 291.366 3.255 20 0 CGADHM O=C([N-]OC1CCC1)[C@H]1C2CCC(CC2)[C@H]1C(F)(F)F ZINC001552144218 938190078 /nfs/dbraw/zinc/19/00/78/938190078.db2.gz IKNCTZUMHYSAOT-CHCPCTANSA-N -1 3 291.313 3.201 20 0 CGADHM CC1=CCCN(C(=O)c2cc3sccc3c([O-])c2)C1 ZINC001556375426 938203389 /nfs/dbraw/zinc/20/33/89/938203389.db2.gz IWZLZXGCTMRCBC-UHFFFAOYSA-N -1 3 273.357 3.399 20 0 CGADHM C[C@H](NC(=O)c1ccc(O)cc1[O-])c1cccc(C2CC2)c1 ZINC001556776541 938205512 /nfs/dbraw/zinc/20/55/12/938205512.db2.gz IVWBOWWMQGJYNM-NSHDSACASA-N -1 3 297.354 3.466 20 0 CGADHM COc1ccc([O-])c(C(=O)Nc2ccc(C)c(C(C)=O)c2)c1 ZINC001557237836 938208681 /nfs/dbraw/zinc/20/86/81/938208681.db2.gz ZWXVLJRWUWODSW-UHFFFAOYSA-N -1 3 299.326 3.164 20 0 CGADHM CCCCc1cc(NCc2ccc([O-])c(F)c2)ncn1 ZINC001559114246 938220602 /nfs/dbraw/zinc/22/06/02/938220602.db2.gz NGAPKCINMJUUPT-UHFFFAOYSA-N -1 3 275.327 3.276 20 0 CGADHM CCN(Cc1occc1C)Cc1ccc(C(=O)[O-])cc1 ZINC001589736285 950534301 /nfs/dbraw/zinc/53/43/01/950534301.db2.gz MBASOERPQKYSIZ-UHFFFAOYSA-N -1 3 273.332 3.308 20 0 CGADHM CC(C)CCC[C@H](C)NCc1ncc(C(=O)[O-])s1 ZINC000380961179 971728654 /nfs/dbraw/zinc/72/86/54/971728654.db2.gz SVBRUMYJNVXDLI-JTQLQIEISA-N -1 3 270.398 3.146 20 0 CGADHM CC[C@@H]1CCCN(Cc2cc(C(=O)[O-])ccc2F)C1 ZINC000062752360 957608485 /nfs/dbraw/zinc/60/84/85/957608485.db2.gz QDJFXEJNVUMINX-LLVKDONJSA-N -1 3 265.328 3.146 20 0 CGADHM CCC(CC)(NCc1coc(-c2cccs2)n1)C(=O)[O-] ZINC000094242883 958279959 /nfs/dbraw/zinc/27/99/59/958279959.db2.gz NLDHMSXWYSWWIZ-UHFFFAOYSA-N -1 3 294.376 3.136 20 0 CGADHM Cc1cc([C@@H](C)NCc2ccccc2CC(=O)[O-])c(C)o1 ZINC000167627374 959353340 /nfs/dbraw/zinc/35/33/40/959353340.db2.gz QUPYWJCPFGXFKK-GFCCVEGCSA-N -1 3 287.359 3.374 20 0 CGADHM C[C@@H](c1cccc(Cl)c1F)N1CC[C@](C)(C(=O)[O-])C1 ZINC001603287285 972529910 /nfs/dbraw/zinc/52/99/10/972529910.db2.gz UZNCCABJCFLGIQ-XPTSAGLGSA-N -1 3 285.746 3.337 20 0 CGADHM CCc1ccc(C(=O)NC[C@H](C)Oc2ccccc2)c([O-])c1 ZINC001565774257 960827183 /nfs/dbraw/zinc/82/71/83/960827183.db2.gz KPXLWCCGMUIQOH-ZDUSSCGKSA-N -1 3 299.370 3.152 20 0 CGADHM Cc1cccc([O-])c1C(=O)N[C@H]1C[C@H](OC(C)C)C1(C)C ZINC001567322388 961284872 /nfs/dbraw/zinc/28/48/72/961284872.db2.gz CHGOSMJVAYMISB-KBPBESRZSA-N -1 3 291.391 3.023 20 0 CGADHM O=C(Nc1ncccc1[O-])c1ccc(C(F)F)cc1F ZINC001567485398 961350766 /nfs/dbraw/zinc/35/07/66/961350766.db2.gz HJSLPJXZMMNMSZ-UHFFFAOYSA-N -1 3 282.221 3.116 20 0 CGADHM CC(C)[C@](C)(Cc1ccccc1)C(=O)[N-]OCC(F)F ZINC001567475621 961354874 /nfs/dbraw/zinc/35/48/74/961354874.db2.gz QJQYOPLOTFGOAO-HNNXBMFYSA-N -1 3 285.334 3.204 20 0 CGADHM O=C(Nc1[nH][n-]c2cc(=O)ccc1-2)c1coc(C(F)F)c1 ZINC001569459115 961768027 /nfs/dbraw/zinc/76/80/27/961768027.db2.gz QYZZVXGEGZQQOP-UHFFFAOYSA-N -1 3 293.229 3.051 20 0 CGADHM CC[C@@H]1CCCC[C@H]1CNC(=O)c1ccc(O)cc1[O-] ZINC001569767663 961839353 /nfs/dbraw/zinc/83/93/53/961839353.db2.gz BHWPWQBTBZZOFT-NEPJUHHUSA-N -1 3 277.364 3.044 20 0 CGADHM Cc1cccc([O-])c1C(=O)N[C@@H]1C[C@H]1c1ccccc1F ZINC001570198243 961928953 /nfs/dbraw/zinc/92/89/53/961928953.db2.gz NWUWYKRGVORSMT-GXTWGEPZSA-N -1 3 285.318 3.126 20 0 CGADHM O=C([O-])c1cccc(CNCc2ccc3scnc3c2)c1 ZINC001574809356 962325551 /nfs/dbraw/zinc/32/55/51/962325551.db2.gz NBYSAKQMAHDZAL-UHFFFAOYSA-N -1 3 298.367 3.284 20 0 CGADHM C(=Cc1ccc(-c2nnn[n-]2)cc1)c1nc2ccccc2o1 ZINC001588381413 963269063 /nfs/dbraw/zinc/26/90/63/963269063.db2.gz AZBRFWULPFLTJP-JXMROGBWSA-N -1 3 289.298 3.178 20 0 CGADHM C(=Cc1ccc(-c2nn[n-]n2)cc1)c1nc2ccccc2o1 ZINC001588381413 963269070 /nfs/dbraw/zinc/26/90/70/963269070.db2.gz AZBRFWULPFLTJP-JXMROGBWSA-N -1 3 289.298 3.178 20 0 CGADHM C[C@H](c1cccc(Cl)c1F)N(C)C[C@H](C)C(=O)[O-] ZINC001589032786 963340885 /nfs/dbraw/zinc/34/08/85/963340885.db2.gz MUTMVVKQMIDBSX-DTWKUNHWSA-N -1 3 273.735 3.193 20 0 CGADHM C[C@@H](CC(C)(C)CC(=O)[O-])NCc1ncc(Cl)s1 ZINC001592444348 978103501 /nfs/dbraw/zinc/10/35/01/978103501.db2.gz CPUJRVROISYZRJ-QMMMGPOBSA-N -1 3 290.816 3.166 20 0 CGADHM CC[C@@H](NCc1cc(C(=O)[O-])cs1)c1ccncc1 ZINC001595299314 980425809 /nfs/dbraw/zinc/42/58/09/980425809.db2.gz OWRVPMPYBFGNTG-CYBMUJFWSA-N -1 3 276.361 3.082 20 0 CGADHM CSCCN[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001599800368 988166316 /nfs/dbraw/zinc/16/63/16/988166316.db2.gz BFIZJESDWDDPSK-JTQLQIEISA-N -1 3 294.203 3.072 20 0 CGADHM C[C@@H]1C[C@@H](C)N1[C@H](C(=O)[O-])c1ccccc1C(F)(F)F ZINC001594231384 998879756 /nfs/dbraw/zinc/87/97/56/998879756.db2.gz SXZZOQUWFBQZBY-LNLATYFQSA-N -1 3 287.281 3.314 20 0 CGADHM CCc1cc(C(=O)NC2(COC)CCCCC2)ccc1[O-] ZINC000621022251 349444951 /nfs/dbraw/zinc/44/49/51/349444951.db2.gz ABPQLGWIQXMPSM-UHFFFAOYSA-N -1 3 291.391 3.034 20 0 CGADHM O=C(COc1ccsc1)Nc1ccc(Cl)cc1[O-] ZINC000337486126 214113957 /nfs/dbraw/zinc/11/39/57/214113957.db2.gz ZKLYLTSALGSQTM-UHFFFAOYSA-N -1 3 283.736 3.125 20 0 CGADHM O=C(Nc1cccc([O-])c1F)[C@@H]1C[C@@H]1C1CCCC1 ZINC000651602076 398257431 /nfs/dbraw/zinc/25/74/31/398257431.db2.gz BFMPAPFJZFRAOJ-GHMZBOCLSA-N -1 3 263.312 3.296 20 0 CGADHM C[C@H]1CC[C@H](C)N1C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621910808 349606289 /nfs/dbraw/zinc/60/62/89/349606289.db2.gz KHUWZMASICMONI-IUCAKERBSA-N -1 3 287.281 3.424 20 0 CGADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1CC[C@@H]2CCC[C@H]21 ZINC000621962507 349614247 /nfs/dbraw/zinc/61/42/47/349614247.db2.gz PYWIEMQLFKYSPC-TVQRCGJNSA-N -1 3 299.292 3.426 20 0 CGADHM COc1cc(C(=O)[N-]c2nc(C3CCC3)cs2)sn1 ZINC000621975423 349616132 /nfs/dbraw/zinc/61/61/32/349616132.db2.gz GIJUNWURVYIVPL-UHFFFAOYSA-N -1 3 295.389 3.128 20 0 CGADHM CCCC[C@H](C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1)C(C)C ZINC000621985998 349617954 /nfs/dbraw/zinc/61/79/54/349617954.db2.gz VHSVQXUYNLGCLT-JSGCOSHPSA-N -1 3 293.411 3.084 20 0 CGADHM CC[C@@H](C)[C@@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC000436535455 529406590 /nfs/dbraw/zinc/40/65/90/529406590.db2.gz KWVLKTRDABOBDW-OCCSQVGLSA-N -1 3 261.365 3.433 20 0 CGADHM C[C@@H](CC(=O)Nc1ncccc1[O-])C1CCCCC1 ZINC000338021683 214367031 /nfs/dbraw/zinc/36/70/31/214367031.db2.gz SKQFDZSWZKVOOI-NSHDSACASA-N -1 3 262.353 3.332 20 0 CGADHM O=C(CCc1cscn1)Nc1cc(Cl)ccc1[O-] ZINC000338044405 214375694 /nfs/dbraw/zinc/37/56/94/214375694.db2.gz KUOYNBFWDVMWMH-UHFFFAOYSA-N -1 3 282.752 3.073 20 0 CGADHM CCCn1ncc(C(=O)Nc2ccccc2[O-])c1C1CC1 ZINC000125680796 187196157 /nfs/dbraw/zinc/19/61/57/187196157.db2.gz NEMFQWUVWVEKEP-UHFFFAOYSA-N -1 3 285.347 3.128 20 0 CGADHM C[C@@H](C1CC1)N(C)C(=O)c1cc([O-])ccc1C(F)(F)F ZINC000622291777 349668936 /nfs/dbraw/zinc/66/89/36/349668936.db2.gz XLGKRAMCVFIEJB-QMMMGPOBSA-N -1 3 287.281 3.282 20 0 CGADHM Cc1cc(C)cc(N(C)C(=O)Cc2ccc([O-])c(F)c2)c1 ZINC000622320693 349671164 /nfs/dbraw/zinc/67/11/64/349671164.db2.gz WZERYZWGXDXKNM-UHFFFAOYSA-N -1 3 287.334 3.354 20 0 CGADHM Cc1ccc(C(=O)NCC2(C)Cc3ccccc3C2)c([O-])c1 ZINC000622478674 349681796 /nfs/dbraw/zinc/68/17/96/349681796.db2.gz NOZPJWQQCYFBOH-UHFFFAOYSA-N -1 3 295.382 3.236 20 0 CGADHM CCc1cccc(C(=O)N[C@H]2CCC(C)(C)C2)c1[O-] ZINC000622477877 349681866 /nfs/dbraw/zinc/68/18/66/349681866.db2.gz OEGXPJMWHWUEID-LBPRGKRZSA-N -1 3 261.365 3.263 20 0 CGADHM Cc1ccc(C(=O)N[C@H]2CCC(C)(C)C2)c([O-])c1C ZINC000622478275 349681942 /nfs/dbraw/zinc/68/19/42/349681942.db2.gz ZFVYYHMTINTQHC-LBPRGKRZSA-N -1 3 261.365 3.318 20 0 CGADHM Cc1csc([C@H](C)C(=O)Nc2ccc([O-])cc2F)n1 ZINC000622494842 349682910 /nfs/dbraw/zinc/68/29/10/349682910.db2.gz INZKJNLOQWSAPM-MRVPVSSYSA-N -1 3 280.324 3.038 20 0 CGADHM CCc1cc2c([n-]c(-c3cncs3)nc2=O)s1 ZINC000426091385 529570018 /nfs/dbraw/zinc/57/00/18/529570018.db2.gz WRIBIEJJYONLIC-UHFFFAOYSA-N -1 3 263.347 3.083 20 0 CGADHM CCc1ccc(C(=O)N2CCCCC[C@H]2C)c([O-])c1 ZINC000436834853 529595143 /nfs/dbraw/zinc/59/51/43/529595143.db2.gz RNLFDSNMAANEMM-GFCCVEGCSA-N -1 3 261.365 3.359 20 0 CGADHM CCc1ccc(C(=O)Nc2ccc(F)cc2F)c([O-])c1 ZINC000436805280 529609971 /nfs/dbraw/zinc/60/99/71/529609971.db2.gz XTVXFHLZSRVGNO-UHFFFAOYSA-N -1 3 277.270 3.485 20 0 CGADHM CCc1ccc(C(=O)N2CCC(C)(C)CC2)c([O-])c1 ZINC000436822965 529595300 /nfs/dbraw/zinc/59/53/00/529595300.db2.gz YTRBKALXLFKANH-UHFFFAOYSA-N -1 3 261.365 3.217 20 0 CGADHM CCc1ccc(C(=O)N2C[C@@H](C)C[C@@H]2CC)c([O-])c1 ZINC000436833839 529600851 /nfs/dbraw/zinc/60/08/51/529600851.db2.gz NAVRVSIZJJSORC-AAEUAGOBSA-N -1 3 261.365 3.215 20 0 CGADHM CCc1ccc(C(=O)NCCCC(F)(F)F)c([O-])c1 ZINC000436835070 529602775 /nfs/dbraw/zinc/60/27/75/529602775.db2.gz TUIGZPDJLIYGJC-UHFFFAOYSA-N -1 3 275.270 3.027 20 0 CGADHM CCc1ccc(C(=O)NC[C@@H]2CCC(F)(F)C2)c([O-])c1 ZINC000437004237 529603780 /nfs/dbraw/zinc/60/37/80/529603780.db2.gz UZYRIXAOUVADQT-LLVKDONJSA-N -1 3 283.318 3.120 20 0 CGADHM CCc1cnccc1[C@@H](C)NC(=O)c1cc(C)ccc1[O-] ZINC000436791948 529677573 /nfs/dbraw/zinc/67/75/73/529677573.db2.gz MKHFUNQUVJMMOK-GFCCVEGCSA-N -1 3 284.359 3.149 20 0 CGADHM Cc1ccc([O-])c(C(=O)NCCCOc2ccccc2C)c1 ZINC000591465249 346925279 /nfs/dbraw/zinc/92/52/79/346925279.db2.gz UXIOBGPBIDJEQX-UHFFFAOYSA-N -1 3 299.370 3.208 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CC[C@H](C)C(F)(F)C2)c1 ZINC000427673595 529691545 /nfs/dbraw/zinc/69/15/45/529691545.db2.gz VRFMWFPQCLHEEE-JTQLQIEISA-N -1 3 283.318 3.072 20 0 CGADHM Cc1ccc2c(c1)[C@H](NC(=O)c1cc(C)ccc1[O-])CC2 ZINC000592665359 347004973 /nfs/dbraw/zinc/00/49/73/347004973.db2.gz WWUFRHGCANQCPB-MRXNPFEDSA-N -1 3 281.355 3.426 20 0 CGADHM CCC(C)(C)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000007376761 344868064 /nfs/dbraw/zinc/86/80/64/344868064.db2.gz LPXTULLOFQDXDS-UHFFFAOYSA-N -1 3 296.219 3.460 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2ccc(-n3cccn3)cc2)c1 ZINC000024711793 344900761 /nfs/dbraw/zinc/90/07/61/344900761.db2.gz CNMQYKRBRFUTQM-UHFFFAOYSA-N -1 3 293.326 3.139 20 0 CGADHM CC(C)c1cc([N-]C(=O)COc2cccc(Cl)c2)on1 ZINC000031676437 344927368 /nfs/dbraw/zinc/92/73/68/344927368.db2.gz OTWBCEXUSLSWFE-UHFFFAOYSA-N -1 3 294.738 3.469 20 0 CGADHM Cc1csc(NC(=O)c2c[n-]nc2-c2ccccc2)n1 ZINC000029775549 344919393 /nfs/dbraw/zinc/91/93/93/344919393.db2.gz JQBVHQUHNRJGFJ-UHFFFAOYSA-N -1 3 284.344 3.094 20 0 CGADHM Cc1csc(NC(=O)c2cn[n-]c2-c2ccccc2)n1 ZINC000029775549 344919395 /nfs/dbraw/zinc/91/93/95/344919395.db2.gz JQBVHQUHNRJGFJ-UHFFFAOYSA-N -1 3 284.344 3.094 20 0 CGADHM Cc1nc2cc(NC(=O)c3ccc(C)cc3[O-])ccc2o1 ZINC000029795965 344919675 /nfs/dbraw/zinc/91/96/75/344919675.db2.gz IXNAAIGCTRVOMW-UHFFFAOYSA-N -1 3 282.299 3.403 20 0 CGADHM C[C@@H]1CCCCN1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000038379347 344955822 /nfs/dbraw/zinc/95/58/22/344955822.db2.gz NOGHVMTUMWDNMC-LLVKDONJSA-N -1 3 297.358 3.456 20 0 CGADHM O=C([N-]c1cnoc1)c1ccc(-c2ccccc2F)o1 ZINC000623942051 349922725 /nfs/dbraw/zinc/92/27/25/349922725.db2.gz SFKFPKAQXYZIRB-UHFFFAOYSA-N -1 3 272.235 3.326 20 0 CGADHM C[C@@H]1C[C@H](C)CN(Cc2ccc(C(=O)[O-])cc2F)C1 ZINC000062749632 345239963 /nfs/dbraw/zinc/23/99/63/345239963.db2.gz KTVCCLYCSZXRHZ-PHIMTYICSA-N -1 3 265.328 3.002 20 0 CGADHM CCCc1nc(C)c(C(=O)[N-]c2c(C)noc2C)s1 ZINC000063447143 345246914 /nfs/dbraw/zinc/24/69/14/345246914.db2.gz YXJQGSGEDLOCKQ-UHFFFAOYSA-N -1 3 279.365 3.261 20 0 CGADHM Cc1ccoc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000067145443 345315675 /nfs/dbraw/zinc/31/56/75/345315675.db2.gz MPRKLSQRGFQGFJ-UHFFFAOYSA-N -1 3 251.669 3.199 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])c1n[nH]c2ccccc21 ZINC000067145364 345315719 /nfs/dbraw/zinc/31/57/19/345315719.db2.gz ZLDMMHXTHVLGST-UHFFFAOYSA-N -1 3 287.706 3.174 20 0 CGADHM CC(C)CN(C)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000065962302 345281774 /nfs/dbraw/zinc/28/17/74/345281774.db2.gz DDPBHRZPZLKVPU-UHFFFAOYSA-N -1 3 285.347 3.169 20 0 CGADHM CCc1ncc(C(=O)[N-]c2nc(C(C)(C)C)ns2)s1 ZINC000068071213 345341926 /nfs/dbraw/zinc/34/19/26/345341926.db2.gz SIFBMSTUWVGUFL-UHFFFAOYSA-N -1 3 296.421 3.107 20 0 CGADHM c1ccc(-c2nc(SCC3CCCC3)n[n-]2)nc1 ZINC000117114436 232183681 /nfs/dbraw/zinc/18/36/81/232183681.db2.gz ZTVDTSQPFUEDTH-UHFFFAOYSA-N -1 3 260.366 3.149 20 0 CGADHM Cc1ccc(C)c(CC(=O)Nc2ccccc2[O-])c1 ZINC000076426557 345543164 /nfs/dbraw/zinc/54/31/64/345543164.db2.gz IGMOVLFXZWXKBU-UHFFFAOYSA-N -1 3 255.317 3.190 20 0 CGADHM CCOc1ccc(CN(C)C(=O)c2cccc(C)c2[O-])cc1 ZINC000078239562 345595863 /nfs/dbraw/zinc/59/58/63/345595863.db2.gz NNZSQGVAZGZWBG-UHFFFAOYSA-N -1 3 299.370 3.372 20 0 CGADHM CCC[C@H](C)C(=O)Nc1nnc(-c2c(F)cccc2F)[n-]1 ZINC000081730977 345717774 /nfs/dbraw/zinc/71/77/74/345717774.db2.gz RKKACVQUZAYKPY-QMMMGPOBSA-N -1 3 294.305 3.125 20 0 CGADHM CCC[C@H](C)C(=O)Nc1nc(-c2c(F)cccc2F)n[n-]1 ZINC000081730977 345717778 /nfs/dbraw/zinc/71/77/78/345717778.db2.gz RKKACVQUZAYKPY-QMMMGPOBSA-N -1 3 294.305 3.125 20 0 CGADHM CCC[C@H](C)C(=O)Nc1n[n-]c(-c2c(F)cccc2F)n1 ZINC000081730977 345717782 /nfs/dbraw/zinc/71/77/82/345717782.db2.gz RKKACVQUZAYKPY-QMMMGPOBSA-N -1 3 294.305 3.125 20 0 CGADHM CCO[C@H]1C[C@H](N(C)Cc2c(F)ccc([O-])c2F)C1(C)C ZINC000351643870 219160486 /nfs/dbraw/zinc/16/04/86/219160486.db2.gz JQMADLXYDVBLSL-KBPBESRZSA-N -1 3 299.361 3.306 20 0 CGADHM Cc1ccc(C(=O)Nc2cc3n[nH]cc3cc2C)c([O-])c1 ZINC000094101121 345895593 /nfs/dbraw/zinc/89/55/93/345895593.db2.gz FJTHQBTXLHBKQY-UHFFFAOYSA-N -1 3 281.315 3.138 20 0 CGADHM Cc1oc(C(=O)[O-])cc1CN(C)CCc1cccs1 ZINC000093268940 345873453 /nfs/dbraw/zinc/87/34/53/345873453.db2.gz UMCRQDVWLCQFJU-UHFFFAOYSA-N -1 3 279.361 3.022 20 0 CGADHM O=C([N-]c1nc(-c2cccs2)cs1)c1cocn1 ZINC000104828239 345925853 /nfs/dbraw/zinc/92/58/53/345925853.db2.gz AGSFDHUBDAMIRC-UHFFFAOYSA-N -1 3 277.330 3.112 20 0 CGADHM Cc1ccc(C(=O)NCCc2ccc(F)cc2C)c([O-])c1 ZINC000094961996 345899467 /nfs/dbraw/zinc/89/94/67/345899467.db2.gz UMSRLJFPDSOFQM-UHFFFAOYSA-N -1 3 287.334 3.121 20 0 CGADHM O=C([O-])CCCN(Cc1ccco1)Cc1ccccc1 ZINC000107832078 345935541 /nfs/dbraw/zinc/93/55/41/345935541.db2.gz IJDDVJPKXKLQGH-UHFFFAOYSA-N -1 3 273.332 3.147 20 0 CGADHM CCNc1ncc(C(=O)[N-]c2c(C)noc2C2CC2)s1 ZINC000119034095 345991673 /nfs/dbraw/zinc/99/16/73/345991673.db2.gz IGJOZWSFNKKJGO-UHFFFAOYSA-N -1 3 292.364 3.001 20 0 CGADHM CC[C@H]1CCCCCN1C(=O)NCc1ccc([O-])c(F)c1 ZINC000120723995 345999073 /nfs/dbraw/zinc/99/90/73/345999073.db2.gz NRPCCZVFBPNIHO-ZDUSSCGKSA-N -1 3 294.370 3.396 20 0 CGADHM [O-]c1ccc(-c2noc(CC3CCSCC3)n2)cc1 ZINC000125370423 346016387 /nfs/dbraw/zinc/01/63/87/346016387.db2.gz VKUBDJZYDDHLST-UHFFFAOYSA-N -1 3 276.361 3.128 20 0 CGADHM O=C(C[C@@H]1CCc2ccccc21)NCc1ccc([O-])c(F)c1 ZINC000132799228 346073844 /nfs/dbraw/zinc/07/38/44/346073844.db2.gz GYJHACCPDQYUDX-AWEZNQCLSA-N -1 3 299.345 3.268 20 0 CGADHM Cc1noc2nc(C)cc(C(=O)Nc3ccc(C)cc3[O-])c12 ZINC000140379285 346103764 /nfs/dbraw/zinc/10/37/64/346103764.db2.gz UNKBADCCFLXHKC-UHFFFAOYSA-N -1 3 297.314 3.106 20 0 CGADHM O=C([O-])c1nc(-c2ccccc2)oc1CN1CCCCC1 ZINC000148777926 346128992 /nfs/dbraw/zinc/12/89/92/346128992.db2.gz KTZQBFXTJYLRAK-UHFFFAOYSA-N -1 3 286.331 3.026 20 0 CGADHM CC(C)c1nccc(NCc2ccc([O-])c(F)c2)n1 ZINC000150923389 346134638 /nfs/dbraw/zinc/13/46/38/346134638.db2.gz OFFWCYLDEGAWKT-UHFFFAOYSA-N -1 3 261.300 3.057 20 0 CGADHM COc1ccc([O-])c(C(=O)Nc2ncc(C(C)C)s2)c1 ZINC000172674169 346228724 /nfs/dbraw/zinc/22/87/24/346228724.db2.gz WNABLKDQWIDYPK-UHFFFAOYSA-N -1 3 292.360 3.233 20 0 CGADHM C[C@@H](CCc1cccc(F)c1)C(=O)Nc1ncccc1[O-] ZINC000175023630 346246474 /nfs/dbraw/zinc/24/64/74/346246474.db2.gz YUTXYXQJRCUOGF-NSHDSACASA-N -1 3 288.322 3.134 20 0 CGADHM O=C(/C=C\c1ccsc1)[N-]OCc1ccccc1 ZINC000216272087 346289960 /nfs/dbraw/zinc/28/99/60/346289960.db2.gz NVAQFYFXZOWASU-SREVYHEPSA-N -1 3 259.330 3.009 20 0 CGADHM C[C@H]1CCN(Cc2ccc(Cl)cc2F)[C@@H](C(=O)[O-])C1 ZINC000231720049 346323038 /nfs/dbraw/zinc/32/30/38/346323038.db2.gz CQCDGVYPUNKKDZ-TVQRCGJNSA-N -1 3 285.746 3.164 20 0 CGADHM CC[C@@H]1CC[C@@H](C)N(C(=O)c2ccc(OC)cc2[O-])C1 ZINC000312360287 346476825 /nfs/dbraw/zinc/47/68/25/346476825.db2.gz JNEWCEDCEWVPDD-VXGBXAGGSA-N -1 3 277.364 3.052 20 0 CGADHM C[C@H](c1ccc(F)c(F)c1)N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000380213816 346556130 /nfs/dbraw/zinc/55/61/30/346556130.db2.gz IEWOCHHHEFJDQB-CKYFFXLPSA-N -1 3 283.318 3.068 20 0 CGADHM Cc1cc(C(=O)NC[C@H]2CCCC2(C)C)ccc1[O-] ZINC000389187112 346572555 /nfs/dbraw/zinc/57/25/55/346572555.db2.gz ZSRKVRJIINVGMM-CYBMUJFWSA-N -1 3 261.365 3.257 20 0 CGADHM C[C@@H](Cc1cccc(O)c1)NCc1cccc([O-])c1Cl ZINC000339238944 215033842 /nfs/dbraw/zinc/03/38/42/215033842.db2.gz LFKIXCDAXNZJIU-NSHDSACASA-N -1 3 291.778 3.472 20 0 CGADHM O=C([O-])C[C@H]1CCCN(C/C=C/c2ccc(F)c(F)c2)C1 ZINC000584706920 346708971 /nfs/dbraw/zinc/70/89/71/346708971.db2.gz CGZDEEWMWCHPTQ-KNVIWWDSSA-N -1 3 295.329 3.165 20 0 CGADHM CC(C)CN(CCC(=O)[O-])Cc1c(F)cccc1Cl ZINC000584785158 346714199 /nfs/dbraw/zinc/71/41/99/346714199.db2.gz ASPFCJLUPJSMNK-UHFFFAOYSA-N -1 3 287.762 3.412 20 0 CGADHM CCCC[C@H](CC)CNC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000584797855 346715318 /nfs/dbraw/zinc/71/53/18/346715318.db2.gz UQGQFHLFZLDRJZ-NSHDSACASA-N -1 3 291.395 3.006 20 0 CGADHM COC(=O)c1cnc(S[C@H]2C=CCCCCC2)[n-]1 ZINC000588310526 346759587 /nfs/dbraw/zinc/75/95/87/346759587.db2.gz XEAXVNRSGVHWDW-JTQLQIEISA-N -1 3 266.366 3.177 20 0 CGADHM CS[C@@H]1CCCCN(C(=O)c2c(C)cccc2[O-])C1 ZINC000599704957 347768137 /nfs/dbraw/zinc/76/81/37/347768137.db2.gz QUBWHMBFUIYLSZ-GFCCVEGCSA-N -1 3 279.405 3.058 20 0 CGADHM Cc1ccc([O-])c(C(=O)NC[C@H]2CCc3ccccc32)c1 ZINC000599731943 347769111 /nfs/dbraw/zinc/76/91/11/347769111.db2.gz JHJPHSGRWXRMQU-CQSZACIVSA-N -1 3 281.355 3.160 20 0 CGADHM CO[C@@H](CCNCc1cccc([O-])c1Cl)C(F)(F)F ZINC000339369884 215127240 /nfs/dbraw/zinc/12/72/40/215127240.db2.gz NYOWCYIOSZINBQ-JTQLQIEISA-N -1 3 297.704 3.103 20 0 CGADHM Cc1cccc(C(=O)N[C@@H]2C[C@]2(C)c2ccccc2)c1[O-] ZINC000607591092 348250324 /nfs/dbraw/zinc/25/03/24/348250324.db2.gz CNTHJHWTEWOUIQ-CRAIPNDOSA-N -1 3 281.355 3.161 20 0 CGADHM O=C([N-]c1ncc(Cl)s1)c1cc(-c2ccco2)on1 ZINC000607951280 348274561 /nfs/dbraw/zinc/27/45/61/348274561.db2.gz KQGKALCBORHXFE-UHFFFAOYSA-N -1 3 295.707 3.297 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])[C@@H]1CCC[C@H]2C[C@H]21 ZINC000612754540 348544056 /nfs/dbraw/zinc/54/40/56/348544056.db2.gz OQTUSMBOZDPJJT-JMJZKYOTSA-N -1 3 265.740 3.420 20 0 CGADHM C[C@H]1CC[C@@H](CNC(=O)Cc2ccc([O-])cc2Cl)C1 ZINC000357997770 233034394 /nfs/dbraw/zinc/03/43/94/233034394.db2.gz YUDPAHQEMUEIFD-WDEREUQCSA-N -1 3 281.783 3.141 20 0 CGADHM Cc1ccc(CN(C)Cc2cc([O-])cc(F)c2)cc1 ZINC000351988513 219277358 /nfs/dbraw/zinc/27/73/58/219277358.db2.gz IMMBZNDUHWNXQY-UHFFFAOYSA-N -1 3 259.324 3.472 20 0 CGADHM CCCC[C@H](C)C(=O)NCc1ccc([O-])c2ncccc12 ZINC000616022341 348782662 /nfs/dbraw/zinc/78/26/62/348782662.db2.gz FIHWHQSMMNAELL-LBPRGKRZSA-N -1 3 286.375 3.383 20 0 CGADHM CCC[C@@H](C(=O)Nc1nc(C)ccc1[O-])c1ccccn1 ZINC000339516319 215224371 /nfs/dbraw/zinc/22/43/71/215224371.db2.gz HTYVYLZAKMRFMH-GFCCVEGCSA-N -1 3 285.347 3.013 20 0 CGADHM Cc1[nH]nc(C(C)C)c1C(=O)Nc1ccc([O-])cc1Cl ZINC000616941047 348885063 /nfs/dbraw/zinc/88/50/63/348885063.db2.gz PHVBWIMILTWPDJ-UHFFFAOYSA-N -1 3 293.754 3.453 20 0 CGADHM CCC(C)(C)[C@H](C)NC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000617569255 348972568 /nfs/dbraw/zinc/97/25/68/348972568.db2.gz TUFQHMKDJFQXHY-NSHDSACASA-N -1 3 277.364 3.149 20 0 CGADHM CC1(C)CC(CNC(=O)c2csc(=O)[n-]2)CC(C)(C)C1 ZINC000618147419 349050786 /nfs/dbraw/zinc/05/07/86/349050786.db2.gz PLRLSNJUZPWFKE-UHFFFAOYSA-N -1 3 296.436 3.431 20 0 CGADHM CCC1(CC)CCCN(C(=O)c2cccc([O-])c2)C1 ZINC000618673049 349139574 /nfs/dbraw/zinc/13/95/74/349139574.db2.gz ONGUUIKVRLSPAT-UHFFFAOYSA-N -1 3 261.365 3.435 20 0 CGADHM CCOc1ccc(NC(=O)c2ccc([O-])c(C)c2)nc1C ZINC000620646091 349402849 /nfs/dbraw/zinc/40/28/49/349402849.db2.gz HKEXBSVYUFEEPG-UHFFFAOYSA-N -1 3 286.331 3.055 20 0 CGADHM C[C@@H](CNC(=O)c1cc2c(cc1[O-])CCCC2)C1CC1 ZINC000620396363 349369677 /nfs/dbraw/zinc/36/96/77/349369677.db2.gz RRCIWRLLWCIUKS-NSHDSACASA-N -1 3 273.376 3.047 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CCC[C@@H]1c1ccccn1 ZINC000624559727 350065177 /nfs/dbraw/zinc/06/51/77/350065177.db2.gz WGJDZRSKBOHKGO-CQSZACIVSA-N -1 3 282.343 3.073 20 0 CGADHM CN(Cc1cc([O-])ccc1Cl)C[C@@H]1CCCCO1 ZINC000625097688 350127818 /nfs/dbraw/zinc/12/78/18/350127818.db2.gz AJQVNFOMTYAXPI-ZDUSSCGKSA-N -1 3 269.772 3.047 20 0 CGADHM CCC[C@H]1CN(Cc2cc([O-])ccc2Cl)CCO1 ZINC000625272072 350150291 /nfs/dbraw/zinc/15/02/91/350150291.db2.gz VAMDZPYCIUXDKF-ZDUSSCGKSA-N -1 3 269.772 3.047 20 0 CGADHM CO[C@]1(C)CCCN(Cc2cc([O-])ccc2Cl)C1 ZINC000625380357 350165479 /nfs/dbraw/zinc/16/54/79/350165479.db2.gz HRKWBSHGRDKTNJ-CQSZACIVSA-N -1 3 269.772 3.047 20 0 CGADHM CC[C@@H]1CN(Cc2cc([O-])ccc2Cl)CCCO1 ZINC000625390208 350167557 /nfs/dbraw/zinc/16/75/57/350167557.db2.gz RMJDHIPDAURATE-CYBMUJFWSA-N -1 3 269.772 3.047 20 0 CGADHM CC1(C)CN(Cc2cc([O-])ccc2Cl)[C@@H]1[C@H]1CCCO1 ZINC000625432811 350170696 /nfs/dbraw/zinc/17/06/96/350170696.db2.gz OSXJSJUADKCJQM-HUUCEWRRSA-N -1 3 295.810 3.435 20 0 CGADHM [O-]c1ccc(Cl)c(CN2CCSC[C@H]2C2CC2)c1 ZINC000625459295 350175175 /nfs/dbraw/zinc/17/51/75/350175175.db2.gz GKNIKPHLEYHTHF-AWEZNQCLSA-N -1 3 283.824 3.373 20 0 CGADHM C/C=C/C[C@@H]1CCCN(Cc2cc(C(=O)[O-])co2)C1 ZINC000625971727 350238748 /nfs/dbraw/zinc/23/87/48/350238748.db2.gz WYMWIYCRTXLHLB-QAVQXKDTSA-N -1 3 263.337 3.156 20 0 CGADHM Cc1ccsc1CCNC(=O)c1c(C)cccc1[O-] ZINC000626355796 350298132 /nfs/dbraw/zinc/29/81/32/350298132.db2.gz BDXNCLBDRHRTRO-UHFFFAOYSA-N -1 3 275.373 3.043 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CC2(C1)CCCCC2 ZINC000626398574 350302788 /nfs/dbraw/zinc/30/27/88/350302788.db2.gz FIBSRWOFKKXXNT-UHFFFAOYSA-N -1 3 259.349 3.107 20 0 CGADHM C[C@@H](CC(=O)N1CCCc2cccc([O-])c21)C(F)(F)F ZINC000626318600 350294599 /nfs/dbraw/zinc/29/45/99/350294599.db2.gz YJIGNEBGKUEAFK-VIFPVBQESA-N -1 3 287.281 3.260 20 0 CGADHM Cc1cccc([O-])c1C(=O)N[C@H](C)CCCc1cccnc1 ZINC000627714735 350377261 /nfs/dbraw/zinc/37/72/61/350377261.db2.gz YPEBXQXLOADPQB-CQSZACIVSA-N -1 3 298.386 3.237 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CCCC3(CCC3)C2)c1 ZINC000352172365 219345230 /nfs/dbraw/zinc/34/52/30/219345230.db2.gz VBKALVDBMUFJQF-UHFFFAOYSA-N -1 3 273.376 3.361 20 0 CGADHM CCc1cccc(C(=O)N2CC[C@H]3CC[C@@H](C2)S3)c1[O-] ZINC000628651049 350584828 /nfs/dbraw/zinc/58/48/28/350584828.db2.gz KLJAZUOQDJIEMI-OLZOCXBDSA-N -1 3 291.416 3.065 20 0 CGADHM CC[C@@H](C)c1cccc([N-]S(=O)(=O)C[C@H]2CCCO2)c1 ZINC000629313780 350675000 /nfs/dbraw/zinc/67/50/00/350675000.db2.gz RLRCBGSVPGOOIB-IUODEOHRSA-N -1 3 297.420 3.121 20 0 CGADHM C[C@H]1CN(Cc2csc(C(=O)[O-])c2)C[C@H](C)C1(F)F ZINC000629363418 350678151 /nfs/dbraw/zinc/67/81/51/350678151.db2.gz DBUNMVUUVURBNG-IUCAKERBSA-N -1 3 289.347 3.169 20 0 CGADHM O=C([O-])c1ccc(F)c2c1CN(CCCC1CCC1)CC2 ZINC000629367450 350679906 /nfs/dbraw/zinc/67/99/06/350679906.db2.gz YGCBRPUFSDUMKH-UHFFFAOYSA-N -1 3 291.366 3.462 20 0 CGADHM O=C([O-])c1cnc(C2CCN([C@H]3C=CCCC3)CC2)s1 ZINC000629367539 350680054 /nfs/dbraw/zinc/68/00/54/350680054.db2.gz OAUWZZDQZWZLPK-LBPRGKRZSA-N -1 3 292.404 3.129 20 0 CGADHM Cc1cc(C(=O)N2C[C@@H]3CCCC[C@@]32C)ccc1[O-] ZINC000629617642 350720233 /nfs/dbraw/zinc/72/02/33/350720233.db2.gz XSSLVECDQJATGK-BBRMVZONSA-N -1 3 259.349 3.105 20 0 CGADHM CC(C)c1cc([N-]C(=O)c2coc(C(F)(F)F)n2)on1 ZINC000630048157 350800403 /nfs/dbraw/zinc/80/04/03/350800403.db2.gz SVCJVJXMKSUYNV-UHFFFAOYSA-N -1 3 289.213 3.057 20 0 CGADHM CC[C@](C)(CNCc1c(F)ccc(F)c1Cl)C(=O)[O-] ZINC000630452011 350842229 /nfs/dbraw/zinc/84/22/29/350842229.db2.gz OYPHVBACWWEINW-CYBMUJFWSA-N -1 3 291.725 3.209 20 0 CGADHM CCCc1nnc([N-]C(=O)c2coc(SC)c2)s1 ZINC000630801470 350890455 /nfs/dbraw/zinc/89/04/55/350890455.db2.gz YIWJWUVZYXBTRT-UHFFFAOYSA-N -1 3 283.378 3.058 20 0 CGADHM CCn1ncc(C(=O)N2CC[C@@H](C)c3cccc([O-])c32)c1C ZINC000632507069 351202086 /nfs/dbraw/zinc/20/20/86/351202086.db2.gz QCOCTBRRZJPIQQ-LLVKDONJSA-N -1 3 299.374 3.071 20 0 CGADHM COc1ccc([N-]C(=O)c2cc(C(C)C)no2)c(F)c1 ZINC000633820074 351384557 /nfs/dbraw/zinc/38/45/57/351384557.db2.gz DMSQAGDZZHGZSQ-UHFFFAOYSA-N -1 3 278.283 3.198 20 0 CGADHM O=C([O-])c1ccc(CN2CCC[C@H](C3CCC3)CC2)o1 ZINC000634697746 351575876 /nfs/dbraw/zinc/57/58/76/351575876.db2.gz QQQWOEJMMLMLRC-ZDUSSCGKSA-N -1 3 277.364 3.380 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])[C@@H]1CCN1C1CCCC1 ZINC000635721261 351685330 /nfs/dbraw/zinc/68/53/30/351685330.db2.gz IVKLCYUJJDLVAL-ZDUSSCGKSA-N -1 3 294.782 3.001 20 0 CGADHM CC(C)(C)c1ccc(NC(=O)c2coc(CO)c2)c([O-])c1 ZINC000635898956 351701357 /nfs/dbraw/zinc/70/13/57/351701357.db2.gz GPFMFMTXLFXAFB-UHFFFAOYSA-N -1 3 289.331 3.027 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)Nc1ccc2ncsc2c1 ZINC000291659568 198054432 /nfs/dbraw/zinc/05/44/32/198054432.db2.gz ABPNFJUFUZTBSI-VIFPVBQESA-N -1 3 279.365 3.396 20 0 CGADHM CC(C)=C(C)CC(=O)NCc1ccc([O-])c2ncccc12 ZINC000636001893 351710684 /nfs/dbraw/zinc/71/06/84/351710684.db2.gz UAOGJUSTQUNMMN-UHFFFAOYSA-N -1 3 284.359 3.303 20 0 CGADHM COc1ccccc1CN(C(=O)c1ccccc1[O-])C1CC1 ZINC000122044242 187012202 /nfs/dbraw/zinc/01/22/02/187012202.db2.gz WVWPWUZOBYYVLO-UHFFFAOYSA-N -1 3 297.354 3.206 20 0 CGADHM CCc1cc(=O)[n-]c(CN([C@@H](C)c2ccco2)C2CC2)n1 ZINC000122140371 187017325 /nfs/dbraw/zinc/01/73/25/187017325.db2.gz VXXVVHUCYDPCKT-NSHDSACASA-N -1 3 287.363 3.063 20 0 CGADHM CC[C@H]1CC[C@@H](C)N1Cc1nc(=O)c2sccc2[n-]1 ZINC000271639501 191254051 /nfs/dbraw/zinc/25/40/51/191254051.db2.gz ZXFFVIXHKOUORB-ZJUUUORDSA-N -1 3 277.393 3.160 20 0 CGADHM Cc1ccccc1[C@@H](C)CC(=O)[N-]OCc1cccnc1 ZINC000152700389 188036502 /nfs/dbraw/zinc/03/65/02/188036502.db2.gz HIPBLPPMPLHNHA-AWEZNQCLSA-N -1 3 284.359 3.132 20 0 CGADHM Cc1cccc2c(CCC(=O)[N-]OCC(C)C)c[nH]c21 ZINC000153498178 188085394 /nfs/dbraw/zinc/08/53/94/188085394.db2.gz CCZVDAWZLWMQBU-UHFFFAOYSA-N -1 3 274.364 3.113 20 0 CGADHM COc1ccc(C)cc1NC([O-])=NOCCC(F)(F)F ZINC000156113061 188243782 /nfs/dbraw/zinc/24/37/82/188243782.db2.gz ZRPDJWVKKPXCQW-UHFFFAOYSA-N -1 3 292.257 3.009 20 0 CGADHM COc1ccc(C)cc1NC(=O)[N-]OCCC(F)(F)F ZINC000156113061 188243783 /nfs/dbraw/zinc/24/37/83/188243783.db2.gz ZRPDJWVKKPXCQW-UHFFFAOYSA-N -1 3 292.257 3.009 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)Nc1ccc2c(c1)C(=O)CCC2 ZINC000292637779 198359215 /nfs/dbraw/zinc/35/92/15/198359215.db2.gz HEUWHIGZDWWDRB-NSHDSACASA-N -1 3 290.363 3.305 20 0 CGADHM Cc1ccc([O-])c(CN2CC(C)(C)[C@@H]2c2cccnc2)n1 ZINC000292702858 198382121 /nfs/dbraw/zinc/38/21/21/198382121.db2.gz CNGOJBGBNHGHDN-INIZCTEOSA-N -1 3 283.375 3.074 20 0 CGADHM C[C@]12CCN(Cc3cc([O-])cc(F)c3)C[C@H]1C2(F)F ZINC000292712351 198385236 /nfs/dbraw/zinc/38/52/36/198385236.db2.gz DJIIQAISHPFSCY-OLZOCXBDSA-N -1 3 271.282 3.008 20 0 CGADHM O=C(N[C@H]1C[C@H](c2ccccc2F)C1)c1cccc([O-])c1 ZINC000336424375 213283414 /nfs/dbraw/zinc/28/34/14/213283414.db2.gz ROLLFJAMVPPFAG-JOCQHMNTSA-N -1 3 285.318 3.207 20 0 CGADHM CC1(/C=C/C(=O)Nc2cc(Cl)ccc2[O-])CCOCC1 ZINC000493704920 535270591 /nfs/dbraw/zinc/27/05/91/535270591.db2.gz IVJYDYPTUPZGMA-SNAWJCMRSA-N -1 3 295.766 3.357 20 0 CGADHM CCOc1ccc(NC([O-])=NOC2CCCC2)cc1OC ZINC000271785243 191324410 /nfs/dbraw/zinc/32/44/10/191324410.db2.gz IPVHYEOBPPTHOV-UHFFFAOYSA-N -1 3 294.351 3.090 20 0 CGADHM CCOc1ccc(NC(=O)[N-]OC2CCCC2)cc1OC ZINC000271785243 191324413 /nfs/dbraw/zinc/32/44/13/191324413.db2.gz IPVHYEOBPPTHOV-UHFFFAOYSA-N -1 3 294.351 3.090 20 0 CGADHM CCOc1cc(NC([O-])=NOC2CCCC2)ccc1OC ZINC000271786710 191326594 /nfs/dbraw/zinc/32/65/94/191326594.db2.gz IXMICETXYLGNIG-UHFFFAOYSA-N -1 3 294.351 3.090 20 0 CGADHM CCOc1cc(NC(=O)[N-]OC2CCCC2)ccc1OC ZINC000271786710 191326597 /nfs/dbraw/zinc/32/65/97/191326597.db2.gz IXMICETXYLGNIG-UHFFFAOYSA-N -1 3 294.351 3.090 20 0 CGADHM CCOc1ccc(OC)cc1NC([O-])=NOC1CCCC1 ZINC000271865521 191377411 /nfs/dbraw/zinc/37/74/11/191377411.db2.gz UVBKSNKTQJIUJW-UHFFFAOYSA-N -1 3 294.351 3.090 20 0 CGADHM CCOc1ccc(OC)cc1NC(=O)[N-]OC1CCCC1 ZINC000271865521 191377414 /nfs/dbraw/zinc/37/74/14/191377414.db2.gz UVBKSNKTQJIUJW-UHFFFAOYSA-N -1 3 294.351 3.090 20 0 CGADHM CCn1c(=O)[n-]nc1S[C@H](C)c1ccc2c(c1)CCC2 ZINC000412980071 235235178 /nfs/dbraw/zinc/23/51/78/235235178.db2.gz BUEGAJHAAQQXHV-SNVBAGLBSA-N -1 3 289.404 3.346 20 0 CGADHM Cc1cc(C(=O)NC[C@H]2CCC[C@@H]2C2CC2)ccc1[O-] ZINC000413887496 235316752 /nfs/dbraw/zinc/31/67/52/235316752.db2.gz WKWZALABCOAPKI-HUUCEWRRSA-N -1 3 273.376 3.257 20 0 CGADHM C[C@@H](NC(=O)c1csc(=O)[n-]1)c1ccc(Cl)s1 ZINC000336355034 213205496 /nfs/dbraw/zinc/20/54/96/213205496.db2.gz CLNBJPQZXXZEOB-RXMQYKEDSA-N -1 3 288.781 3.055 20 0 CGADHM O=[S@@](CCC1=CCCCC1)c1cccc([O-])c1 ZINC000414246897 235372719 /nfs/dbraw/zinc/37/27/19/235372719.db2.gz NUGDEIIHKTVAFE-KRWDZBQOSA-N -1 3 250.363 3.390 20 0 CGADHM CCC[C@H](OC)C(=O)[N-]c1onc(C(F)(F)F)c1CC ZINC000295829648 199682497 /nfs/dbraw/zinc/68/24/97/199682497.db2.gz WAGVHEHSXHTSQG-QMMMGPOBSA-N -1 3 294.273 3.009 20 0 CGADHM CC(=O)c1ccc(C(=O)Nc2ccc([O-])cc2F)s1 ZINC000336332741 213178385 /nfs/dbraw/zinc/17/83/85/213178385.db2.gz KXDWSHQLNAYOCA-UHFFFAOYSA-N -1 3 279.292 3.048 20 0 CGADHM Cc1cc([N-]C(=O)[C@H](C)N2CCCc3ccc(C)cc32)on1 ZINC000111261778 138364266 /nfs/dbraw/zinc/36/42/66/138364266.db2.gz MFNRMWTWAGMPSG-ZDUSSCGKSA-N -1 3 299.374 3.071 20 0 CGADHM O=C([O-])CCCN1CCC[C@H]1Cc1c(F)cccc1Cl ZINC000116358678 138366000 /nfs/dbraw/zinc/36/60/00/138366000.db2.gz PVCPKYBXSSOLDW-NSHDSACASA-N -1 3 299.773 3.351 20 0 CGADHM Cc1ccc(C(=O)N(C)[C@H](C)c2ccco2)c([O-])c1 ZINC000123970925 138371730 /nfs/dbraw/zinc/37/17/30/138371730.db2.gz HQCIZULEUQNRJD-LLVKDONJSA-N -1 3 259.305 3.127 20 0 CGADHM O=C(Cc1cccc2cccnc21)Nc1ccccc1[O-] ZINC000124009684 138372497 /nfs/dbraw/zinc/37/24/97/138372497.db2.gz VEWKKBNNDZANTO-UHFFFAOYSA-N -1 3 278.311 3.122 20 0 CGADHM CCc1cccc(C(=O)N(CC(C)C)C(C)C)c1[O-] ZINC000537638004 288541236 /nfs/dbraw/zinc/54/12/36/288541236.db2.gz DKEYSDISCJMVKM-UHFFFAOYSA-N -1 3 263.381 3.461 20 0 CGADHM CCC(C)(C)NCc1cccc([O-])c1Br ZINC000314993764 535360993 /nfs/dbraw/zinc/36/09/93/535360993.db2.gz IKYGEADXEBHVCU-UHFFFAOYSA-N -1 3 272.186 3.433 20 0 CGADHM CC1(C)CN(C(=O)c2cccc([O-])c2)[C@H]2CCC[C@H]21 ZINC000294557744 199085335 /nfs/dbraw/zinc/08/53/35/199085335.db2.gz DLYDCRZMNCSBPJ-KGLIPLIRSA-N -1 3 259.349 3.043 20 0 CGADHM O=C(CCc1ccc2ccccc2c1[O-])N1CCCC1 ZINC000336232184 213063783 /nfs/dbraw/zinc/06/37/83/213063783.db2.gz UGMDFFDSDMRTMQ-UHFFFAOYSA-N -1 3 269.344 3.100 20 0 CGADHM CC1(C)C[C@@H]1NC(=O)CCc1ccc2ccccc2c1[O-] ZINC000294554372 199084244 /nfs/dbraw/zinc/08/42/44/199084244.db2.gz NTZUGPXHCFCQHF-HNNXBMFYSA-N -1 3 283.371 3.393 20 0 CGADHM Cc1ccc([C@@H](NCc2ccc(F)c(F)c2)C(=O)[O-])cc1 ZINC000426682658 236306474 /nfs/dbraw/zinc/30/64/74/236306474.db2.gz KLNZHMPKGCWYII-OAHLLOKOSA-N -1 3 291.297 3.189 20 0 CGADHM O=C(CC1CCCCCC1)N=c1cc(-c2ccncc2)[n-][nH]1 ZINC000427980736 236357478 /nfs/dbraw/zinc/35/74/78/236357478.db2.gz CIPQEWFFYPDYHK-UHFFFAOYSA-N -1 3 298.390 3.193 20 0 CGADHM Cc1onc(C2CC2)c1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000336202313 213020880 /nfs/dbraw/zinc/02/08/80/213020880.db2.gz ZNJQMHOUSNEQFO-UHFFFAOYSA-N -1 3 292.722 3.472 20 0 CGADHM CCc1cc(=O)[n-]c(CS[C@H](C)c2ncc(C)o2)n1 ZINC000537746492 288546079 /nfs/dbraw/zinc/54/60/79/288546079.db2.gz FGGTXYDCBQMKRF-SECBINFHSA-N -1 3 279.365 3.035 20 0 CGADHM Cc1ccc(C(=O)N2CCc3cc(F)cc(C)c3C2)c([O-])c1 ZINC000436518901 237120431 /nfs/dbraw/zinc/12/04/31/237120431.db2.gz SVZQWMGWBSXYEY-UHFFFAOYSA-N -1 3 299.345 3.347 20 0 CGADHM Cc1ccc([O-])c(C(=O)N[C@@H](C)CCc2ccc(O)cc2)c1 ZINC000436609862 237143415 /nfs/dbraw/zinc/14/34/15/237143415.db2.gz WQHRLAFAKIIBBN-ZDUSSCGKSA-N -1 3 299.370 3.157 20 0 CGADHM C[C@@H]1C[C@@H](c2nc(-c3ccc([O-])c4ccccc34)no2)CO1 ZINC000436619867 237143724 /nfs/dbraw/zinc/14/37/24/237143724.db2.gz SXVHHYLWZKTGCD-GHMZBOCLSA-N -1 3 296.326 3.488 20 0 CGADHM CO[C@@H]1CCC[C@@H]1CNC(=O)c1ccc(C(C)C)cc1[O-] ZINC000436624217 237144426 /nfs/dbraw/zinc/14/44/26/237144426.db2.gz AXQVUJBUHJPZFC-CZUORRHYSA-N -1 3 291.391 3.061 20 0 CGADHM Cc1cccc(C(=O)N[C@H](C)CCc2ccc(O)cc2)c1[O-] ZINC000436604895 237145091 /nfs/dbraw/zinc/14/50/91/237145091.db2.gz OLUOCYAYAVKYIH-CYBMUJFWSA-N -1 3 299.370 3.157 20 0 CGADHM O=C(NCc1ccc2ccccc2c1)c1c([O-])cccc1O ZINC000436646600 237152127 /nfs/dbraw/zinc/15/21/27/237152127.db2.gz IMTXIVNSKVGYJX-UHFFFAOYSA-N -1 3 293.322 3.181 20 0 CGADHM Cc1ccc(C(=O)NCc2cc3ccccc3[nH]2)c([O-])c1C ZINC000436541380 237123525 /nfs/dbraw/zinc/12/35/25/237123525.db2.gz URORPAZODYOZLQ-UHFFFAOYSA-N -1 3 294.354 3.420 20 0 CGADHM CC[C@H](C)CON=C([O-])Nc1cccc(C2CC2)n1 ZINC000296852089 200016445 /nfs/dbraw/zinc/01/64/45/200016445.db2.gz KMWRKUVLCSDMQT-JTQLQIEISA-N -1 3 263.341 3.058 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)Nc1cccc(C2CC2)n1 ZINC000296852089 200016446 /nfs/dbraw/zinc/01/64/46/200016446.db2.gz KMWRKUVLCSDMQT-JTQLQIEISA-N -1 3 263.341 3.058 20 0 CGADHM O=C(NC[C@H]1SCCc2ccccc21)c1ccccc1[O-] ZINC000436574640 237133774 /nfs/dbraw/zinc/13/37/74/237133774.db2.gz KQNOQDNFGFLLGP-MRXNPFEDSA-N -1 3 299.395 3.153 20 0 CGADHM Cc1ccc(C(=O)N2CC[C@H](C(C)C)C2)c([O-])c1C ZINC000436581646 237136623 /nfs/dbraw/zinc/13/66/23/237136623.db2.gz BEGMZQXXKXIXJK-ZDUSSCGKSA-N -1 3 261.365 3.127 20 0 CGADHM O=C(NCc1cc2ccccc2s1)c1ccc(O)cc1[O-] ZINC000436799114 237182992 /nfs/dbraw/zinc/18/29/92/237182992.db2.gz WXMBUXHILIXELO-UHFFFAOYSA-N -1 3 299.351 3.243 20 0 CGADHM Cc1ccc([O-])c(C(=O)NCCO[C@@H]2CCCC[C@H]2C)c1 ZINC000436733857 237171406 /nfs/dbraw/zinc/17/14/06/237171406.db2.gz YFVXJNHHTQMQIU-CZUORRHYSA-N -1 3 291.391 3.026 20 0 CGADHM Cc1ccc(C(=O)N2CC3(CCC3)C[C@@H]2C)c([O-])c1C ZINC000436953871 237222459 /nfs/dbraw/zinc/22/24/59/237222459.db2.gz CKZPJYPARKYBEN-LBPRGKRZSA-N -1 3 273.376 3.414 20 0 CGADHM Cc1cc(C(=O)N[C@H](C)c2ccc(F)c(F)c2)ccc1[O-] ZINC000436907882 237209611 /nfs/dbraw/zinc/20/96/11/237209611.db2.gz ZDOFEELWFOMHHR-SNVBAGLBSA-N -1 3 291.297 3.470 20 0 CGADHM Cc1ccc(C(=O)N[C@@H]2C[C@H]2Cc2ccccc2)c([O-])c1 ZINC000436937441 237216443 /nfs/dbraw/zinc/21/64/43/237216443.db2.gz INJRTDWOKNDWGL-GDBMZVCRSA-N -1 3 281.355 3.062 20 0 CGADHM CCSc1cccc(F)c1NC([O-])=NOCC1CC1 ZINC000297496635 200210148 /nfs/dbraw/zinc/21/01/48/200210148.db2.gz UTJQCPJIDKPYRW-UHFFFAOYSA-N -1 3 284.356 3.401 20 0 CGADHM CCSc1cccc(F)c1NC(=O)[N-]OCC1CC1 ZINC000297496635 200210150 /nfs/dbraw/zinc/21/01/50/200210150.db2.gz UTJQCPJIDKPYRW-UHFFFAOYSA-N -1 3 284.356 3.401 20 0 CGADHM CCOc1cc(CN2CCC(OC)CC2)cc(Cl)c1[O-] ZINC000297978964 200312180 /nfs/dbraw/zinc/31/21/80/200312180.db2.gz XWFOCIYMXHMFHQ-UHFFFAOYSA-N -1 3 299.798 3.055 20 0 CGADHM CC(C)(C)c1nnc([N-]C(=O)c2ncccc2Cl)s1 ZINC000342015648 216187555 /nfs/dbraw/zinc/18/75/55/216187555.db2.gz WETJLJKDPCVUAC-UHFFFAOYSA-N -1 3 296.783 3.136 20 0 CGADHM Cc1oc2ncnc(NCc3ccc([O-])c(F)c3)c2c1C ZINC000119570181 370687682 /nfs/dbraw/zinc/68/76/82/370687682.db2.gz BCUMLFOSBXVZHG-UHFFFAOYSA-N -1 3 287.294 3.296 20 0 CGADHM CCC(CC)[C@H]1C[C@H](NC(=O)c2cccc([O-])c2)CCO1 ZINC000183003630 189342376 /nfs/dbraw/zinc/34/23/76/189342376.db2.gz UYIBRKJKYNWLEA-GDBMZVCRSA-N -1 3 291.391 3.106 20 0 CGADHM C[C@H]1c2ccccc2CCN1C(=O)Cc1ccc([O-])c(F)c1 ZINC000448925973 239088224 /nfs/dbraw/zinc/08/82/24/239088224.db2.gz RIUDQMDYIJYZEN-LBPRGKRZSA-N -1 3 299.345 3.220 20 0 CGADHM FC(F)(F)c1c[n-]c(=NC[C@H]2CCCC2(F)F)s1 ZINC000450737365 240061837 /nfs/dbraw/zinc/06/18/37/240061837.db2.gz LHFXCJCVSMANSS-ZCFIWIBFSA-N -1 3 286.269 3.431 20 0 CGADHM CCC1([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000451693371 240345144 /nfs/dbraw/zinc/34/51/44/240345144.db2.gz XXEJNNHLVHVXIK-UHFFFAOYSA-N -1 3 294.203 3.214 20 0 CGADHM Cc1ccc(C(=O)Nc2ccc(-c3c[nH]cn3)cc2)c([O-])c1 ZINC000537650206 376191507 /nfs/dbraw/zinc/19/15/07/376191507.db2.gz MYLXCGMWVBLEIL-UHFFFAOYSA-N -1 3 293.326 3.343 20 0 CGADHM CC(C)[C@@H]1C[C@H]1CNC(=O)c1cc([O-])ccc1Cl ZINC000456290572 241393169 /nfs/dbraw/zinc/39/31/69/241393169.db2.gz BEKCKCBHICXEQL-ONGXEEELSA-N -1 3 267.756 3.068 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2C[C@H](C(C)C)[C@@H]2C(C)C)c1 ZINC000456300518 241396783 /nfs/dbraw/zinc/39/67/83/241396783.db2.gz UDZVRZZQRQJMMZ-ZBFHGGJFSA-N -1 3 275.392 3.453 20 0 CGADHM CCOC[C@@H]1CCCCN1C(=O)c1ccc(C)c(C)c1[O-] ZINC000458071758 241808485 /nfs/dbraw/zinc/80/84/85/241808485.db2.gz GSJXOWIBRWZRBM-AWEZNQCLSA-N -1 3 291.391 3.040 20 0 CGADHM CCOc1cc(CN2C[C@@H]3C[C@H]2CS3)cc(Cl)c1[O-] ZINC000459782132 242229927 /nfs/dbraw/zinc/22/99/27/242229927.db2.gz XPZMLCZGYBXIBE-QWRGUYRKSA-N -1 3 299.823 3.134 20 0 CGADHM Cc1ccc(F)c(S(=O)(=O)[N-][C@H](C)C2CCCCC2)c1 ZINC000462327703 242337871 /nfs/dbraw/zinc/33/78/71/242337871.db2.gz PHYCIYLLRIJPMJ-GFCCVEGCSA-N -1 3 299.411 3.381 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2C[C@H](C)C[C@@H](C)[C@H]2C)c1 ZINC000476543634 243016472 /nfs/dbraw/zinc/01/64/72/243016472.db2.gz LGTIVENIRUYXOP-JHJVBQTASA-N -1 3 275.392 3.461 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CC(C3CCCC3)C2)c1 ZINC000477923659 243061474 /nfs/dbraw/zinc/06/14/74/243061474.db2.gz PREPMNCHVNIUAL-UHFFFAOYSA-N -1 3 273.376 3.217 20 0 CGADHM Cc1ccc(NC(=O)c2ccccc2OC2CC2)c([O-])c1 ZINC000477339115 243041818 /nfs/dbraw/zinc/04/18/18/243041818.db2.gz NKSAMZYFIJYVNS-UHFFFAOYSA-N -1 3 283.327 3.494 20 0 CGADHM CC[C@H]1CC[C@@H](C(=O)Nc2cc(Cl)cc(C)c2[O-])O1 ZINC000330497119 202892387 /nfs/dbraw/zinc/89/23/87/202892387.db2.gz XVUPBORBQLSKKP-JQWIXIFHSA-N -1 3 283.755 3.250 20 0 CGADHM CCc1cc(C(=O)N[C@H]2C[C@@H]2c2cccc(F)c2)ccc1[O-] ZINC000486138435 243353044 /nfs/dbraw/zinc/35/30/44/243353044.db2.gz PSLFAGVSISBUNC-CVEARBPZSA-N -1 3 299.345 3.380 20 0 CGADHM CCc1cc(C(=O)NC[C@@H](C)Oc2ccccc2)ccc1[O-] ZINC000486502475 243363374 /nfs/dbraw/zinc/36/33/74/243363374.db2.gz OTSOISRTKIINRS-CYBMUJFWSA-N -1 3 299.370 3.152 20 0 CGADHM COc1ccc2cccc(CC[N-]C(=O)C(F)(F)F)c2c1 ZINC000013738640 368664498 /nfs/dbraw/zinc/66/44/98/368664498.db2.gz WYJBHWYWLATXPR-UHFFFAOYSA-N -1 3 297.276 3.069 20 0 CGADHM O=C(Cc1ccc(O)cc1Cl)Nc1ccc([O-])cc1F ZINC000121829604 370900027 /nfs/dbraw/zinc/90/00/27/370900027.db2.gz XOJRFSFPEKTFJM-UHFFFAOYSA-N -1 3 295.697 3.072 20 0 CGADHM COCCSc1nnc([N-]c2ccccc2F)s1 ZINC000018272440 368742532 /nfs/dbraw/zinc/74/25/32/368742532.db2.gz QSKQDVZOKWPFGZ-UHFFFAOYSA-N -1 3 285.369 3.159 20 0 CGADHM [O-]c1ccc(-c2noc(-c3cc(F)cc(F)c3)n2)cc1 ZINC000034956117 368981452 /nfs/dbraw/zinc/98/14/52/368981452.db2.gz XPZXTPULHHOOMW-UHFFFAOYSA-N -1 3 274.226 3.387 20 0 CGADHM O=C([O-])[C@@H](NCc1ccccc1)c1cccc(Cl)c1 ZINC000037952404 369127531 /nfs/dbraw/zinc/12/75/31/369127531.db2.gz WLMMZQCJIIHPDV-AWEZNQCLSA-N -1 3 275.735 3.256 20 0 CGADHM O=C(/C=C\c1ccnc(Cl)c1)Nc1ccc([O-])cc1F ZINC000492730928 244012930 /nfs/dbraw/zinc/01/29/30/244012930.db2.gz CVURRQMWPUPVAM-RJRFIUFISA-N -1 3 292.697 3.232 20 0 CGADHM O=C(/C=C/c1ccc(F)c(F)c1)Nc1ccc([O-])cc1F ZINC000492785937 244023568 /nfs/dbraw/zinc/02/35/68/244023568.db2.gz YYVXJJNVJFMWKC-QHHAFSJGSA-N -1 3 293.244 3.461 20 0 CGADHM O=C(/C=C/c1ccc(Br)cc1)[N-]OC1CCC1 ZINC000492984568 244068239 /nfs/dbraw/zinc/06/82/39/244068239.db2.gz KQIZUQVYYPHZGW-RMKNXTFCSA-N -1 3 296.164 3.063 20 0 CGADHM C[C@@H](O[N-]C(=O)/C=C\c1cccc(CO)c1)c1ccccc1 ZINC000493024185 244078061 /nfs/dbraw/zinc/07/80/61/244078061.db2.gz XYAAIYMXCUIGJM-IWMPZKFUSA-N -1 3 297.354 3.001 20 0 CGADHM CC(C)OCCO[N-]C(=O)/C=C/c1ccc(C2CC2)cc1 ZINC000493088557 244095053 /nfs/dbraw/zinc/09/50/53/244095053.db2.gz RSQJMTMHESINGE-BJMVGYQFSA-N -1 3 289.375 3.050 20 0 CGADHM Cn1nccc1/C=C\C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000493261630 244129445 /nfs/dbraw/zinc/12/94/45/244129445.db2.gz PNRIJXQAZITSGB-VURMDHGXSA-N -1 3 299.374 3.075 20 0 CGADHM CCCCCc1nnc([N-]C(=O)c2scnc2C)s1 ZINC000043269406 369247709 /nfs/dbraw/zinc/24/77/09/369247709.db2.gz OBGOZQRMICGWAW-UHFFFAOYSA-N -1 3 296.421 3.288 20 0 CGADHM O=C([N-]c1cnns1)Nc1csc2ccccc12 ZINC000494647671 244307382 /nfs/dbraw/zinc/30/73/82/244307382.db2.gz IVHSOBYBBSQASU-UHFFFAOYSA-N -1 3 276.346 3.397 20 0 CGADHM CC(C)[C@@H]1C[C@@H](CC(=O)Nc2ccc([O-])cc2F)CCO1 ZINC000330816003 203271309 /nfs/dbraw/zinc/27/13/09/203271309.db2.gz QTOCZCYYUALKPO-NHYWBVRUSA-N -1 3 295.354 3.311 20 0 CGADHM O=C([N-][C@H](c1ccc(F)cc1)C(F)(F)F)[C@H]1CC1(F)F ZINC000449932999 284161743 /nfs/dbraw/zinc/16/17/43/284161743.db2.gz YEPIZDMOTAVCHK-RKDXNWHRSA-N -1 3 297.198 3.201 20 0 CGADHM Cc1ccsc1CN(C)C(=O)c1ccccc1[O-] ZINC000057290503 369533519 /nfs/dbraw/zinc/53/35/19/369533519.db2.gz BIPYYHYWDAAONS-UHFFFAOYSA-N -1 3 261.346 3.034 20 0 CGADHM CCN(C)[C@@H](C(=O)Nc1ccccc1[O-])c1ccccc1 ZINC000057911435 369550429 /nfs/dbraw/zinc/55/04/29/369550429.db2.gz JAUSIFXXTJVAMR-MRXNPFEDSA-N -1 3 284.359 3.024 20 0 CGADHM CC(C)C1CCN(C(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC000074375424 369875737 /nfs/dbraw/zinc/87/57/37/369875737.db2.gz XKTXQFKKBCOGOS-UHFFFAOYSA-N -1 3 294.370 3.109 20 0 CGADHM [O-]c1ccc(CNCc2cc(F)ccc2F)cc1F ZINC000083494237 370006524 /nfs/dbraw/zinc/00/65/24/370006524.db2.gz DILZSBPXSLKJAO-UHFFFAOYSA-N -1 3 267.250 3.099 20 0 CGADHM CCCc1nsc(Sc2ccc([O-])cc2)n1 ZINC000083671333 370008247 /nfs/dbraw/zinc/00/82/47/370008247.db2.gz JKHPDEYAEIRRFU-UHFFFAOYSA-N -1 3 252.364 3.347 20 0 CGADHM Cc1cccc(C(=O)N(C)CCc2ccc(F)cc2)c1[O-] ZINC000097666449 370249343 /nfs/dbraw/zinc/24/93/43/370249343.db2.gz CDSHNYBUKMHWIM-UHFFFAOYSA-N -1 3 287.334 3.154 20 0 CGADHM CC(=O)c1ccc(C(=O)Nc2ccc(C)cc2[O-])cc1 ZINC000109935929 370367320 /nfs/dbraw/zinc/36/73/20/370367320.db2.gz ULQZTYOTTFJRLY-UHFFFAOYSA-N -1 3 269.300 3.156 20 0 CGADHM Cc1ccccc1CN(C)Cc1ccc(C(=O)[O-])s1 ZINC000103924291 370334141 /nfs/dbraw/zinc/33/41/41/370334141.db2.gz PSPWXWBXGOFAJK-UHFFFAOYSA-N -1 3 275.373 3.387 20 0 CGADHM Cc1n[nH]c(C)c1[C@@H](C)CC(=O)Nc1cc(F)ccc1[O-] ZINC000132137547 371154568 /nfs/dbraw/zinc/15/45/68/371154568.db2.gz ZAWSQOUASBIVIQ-QMMMGPOBSA-N -1 3 291.326 3.004 20 0 CGADHM CCCC[C@H](C(=O)[O-])N(CC)Cc1cccs1 ZINC000132575140 371184583 /nfs/dbraw/zinc/18/45/83/371184583.db2.gz UPPNLTAPOQZEMO-GFCCVEGCSA-N -1 3 255.383 3.213 20 0 CGADHM CC(C)c1ccc(C(=O)N[C@@H]2CCCc3c[nH]nc32)c([O-])c1 ZINC000331769188 204140869 /nfs/dbraw/zinc/14/08/69/204140869.db2.gz CTCLUAIEZSRAIF-CQSZACIVSA-N -1 3 299.374 3.046 20 0 CGADHM O=C([N-]c1c(F)cccc1F)c1cnc2ccccc2n1 ZINC000069743591 284269991 /nfs/dbraw/zinc/26/99/91/284269991.db2.gz FZPYTJWHOUSEFE-UHFFFAOYSA-N -1 3 285.253 3.160 20 0 CGADHM CC[C@H]1CCCCCN1C(=O)c1ccc(OC)cc1[O-] ZINC000134721230 371361327 /nfs/dbraw/zinc/36/13/27/371361327.db2.gz ZLURUJSSIZYBGR-LBPRGKRZSA-N -1 3 277.364 3.196 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)Sc2ncccc2C)n1 ZINC000286693152 371539921 /nfs/dbraw/zinc/53/99/21/371539921.db2.gz ZLGAYSAMSNJAEF-SNVBAGLBSA-N -1 3 261.350 3.047 20 0 CGADHM CCOCCC1(CNC(=O)c2ccc(C)cc2[O-])CCC1 ZINC000150986063 371555298 /nfs/dbraw/zinc/55/52/98/371555298.db2.gz BKQXOGAFEULOGH-UHFFFAOYSA-N -1 3 291.391 3.027 20 0 CGADHM O=C([N-]c1nnc(/C=C/c2ccco2)s1)c1ccoc1 ZINC000152647658 371711974 /nfs/dbraw/zinc/71/19/74/371711974.db2.gz GKGPQQGUOAPSKG-ONEGZZNKSA-N -1 3 287.300 3.147 20 0 CGADHM CC[C@@H]1C[C@@H](NC(=O)c2ccc(C(C)C)cc2[O-])CCO1 ZINC000421969177 371717093 /nfs/dbraw/zinc/71/70/93/371717093.db2.gz OJVGQSYGTUEAOE-UONOGXRCSA-N -1 3 291.391 3.203 20 0 CGADHM COCCCO[N-]C(=O)[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000287902841 371717250 /nfs/dbraw/zinc/71/72/50/371717250.db2.gz SIAGBEXCCVFWQZ-DLBZAZTESA-N -1 3 299.370 3.028 20 0 CGADHM CC(C)CCO[C@H](C)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000153520843 371773851 /nfs/dbraw/zinc/77/38/51/371773851.db2.gz SWESYGBYVPGNNW-SNVBAGLBSA-N -1 3 285.771 3.435 20 0 CGADHM Cc1cccnc1NC(=O)c1c[n-]c2c(C)cccc2c1=O ZINC000154988555 371895678 /nfs/dbraw/zinc/89/56/78/371895678.db2.gz LADVZSVPQYFCBZ-UHFFFAOYSA-N -1 3 293.326 3.205 20 0 CGADHM C[C@@H]1C[C@H]1c1cc(NC(=O)c2cc([O-])ccc2Cl)n[nH]1 ZINC000290309711 371960377 /nfs/dbraw/zinc/96/03/77/371960377.db2.gz FTNOSYQTIDOWMZ-VXNVDRBHSA-N -1 3 291.738 3.144 20 0 CGADHM COc1ccccc1S[C@@H](C)c1nc(C)cc(=O)[n-]1 ZINC000155943966 371954632 /nfs/dbraw/zinc/95/46/32/371954632.db2.gz AHJLLWWKPZVTMQ-JTQLQIEISA-N -1 3 276.361 3.353 20 0 CGADHM CCc1cc(C(=O)N2CCC(F)(F)[C@H](C)C2)ccc1[O-] ZINC000292796878 372212746 /nfs/dbraw/zinc/21/27/46/372212746.db2.gz UMIMHWIIWFLEEF-SNVBAGLBSA-N -1 3 283.318 3.072 20 0 CGADHM CCc1cc(=O)[n-]c(CNC(C)(C)c2ccccc2C)n1 ZINC000292864377 372231491 /nfs/dbraw/zinc/23/14/91/372231491.db2.gz CRLDOGUPSUPSKP-UHFFFAOYSA-N -1 3 285.391 3.078 20 0 CGADHM [O-]C(=NOCC1CC1)Nc1cc(-c2ccccc2)ns1 ZINC000292879700 372236873 /nfs/dbraw/zinc/23/68/73/372236873.db2.gz XVZAROMXRBKSTA-UHFFFAOYSA-N -1 3 289.360 3.273 20 0 CGADHM O=C([N-]OCC1CC1)Nc1cc(-c2ccccc2)ns1 ZINC000292879700 372236877 /nfs/dbraw/zinc/23/68/77/372236877.db2.gz XVZAROMXRBKSTA-UHFFFAOYSA-N -1 3 289.360 3.273 20 0 CGADHM [O-]c1cccc(CNCCC[C@@H]2CCCCO2)c1Cl ZINC000293197877 372325347 /nfs/dbraw/zinc/32/53/47/372325347.db2.gz ILPGASHOFLCGMT-ZDUSSCGKSA-N -1 3 283.799 3.485 20 0 CGADHM CCCC(C)(C)CC(=O)Nc1nc(C)ccc1[O-] ZINC000429241374 372328366 /nfs/dbraw/zinc/32/83/66/372328366.db2.gz LVUFKPNONUMGBV-UHFFFAOYSA-N -1 3 250.342 3.251 20 0 CGADHM CC(C)N(Cc1cccs1)Cc1ccoc1C(=O)[O-] ZINC000049029897 541875162 /nfs/dbraw/zinc/87/51/62/541875162.db2.gz IHVVNVPWAICPJN-UHFFFAOYSA-N -1 3 279.361 3.450 20 0 CGADHM O=C([O-])c1coc(CN2CCC[C@@H]3CCCC[C@@H]32)c1 ZINC000051330441 541875835 /nfs/dbraw/zinc/87/58/35/541875835.db2.gz VTYAFUMPGBHVTD-FZMZJTMJSA-N -1 3 263.337 3.132 20 0 CGADHM C[C@@]1(CCCO)CCCN1Cc1cccc([O-])c1Cl ZINC000293510763 372399886 /nfs/dbraw/zinc/39/98/86/372399886.db2.gz AAXJYJGINNJMIM-HNNXBMFYSA-N -1 3 283.799 3.173 20 0 CGADHM Cc1ncc(CNCc2ccc(-c3ccccc3)o2)c(=O)[n-]1 ZINC000344344372 217160383 /nfs/dbraw/zinc/16/03/83/217160383.db2.gz DFYVPBCZNAHFLY-UHFFFAOYSA-N -1 3 295.342 3.040 20 0 CGADHM O=C(c1cc([O-])ccc1Cl)N1C[C@@H]2CCCC[C@H]2C1 ZINC000312077661 296184552 /nfs/dbraw/zinc/18/45/52/296184552.db2.gz KHKPNAOSWKHVJP-QWRGUYRKSA-N -1 3 279.767 3.308 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2cc(Cl)ccn2)c1 ZINC000162928753 372434723 /nfs/dbraw/zinc/43/47/23/372434723.db2.gz VPWWDXDIQISEBT-UHFFFAOYSA-N -1 3 262.696 3.001 20 0 CGADHM COC(=O)c1cc(C(=O)Nc2ccc(C)c(Cl)c2)c[n-]1 ZINC000431282834 372452744 /nfs/dbraw/zinc/45/27/44/372452744.db2.gz XIBDDUFYNBQSPK-UHFFFAOYSA-N -1 3 292.722 3.015 20 0 CGADHM C[C@@H](CN(C)Cc1c(F)ccc([O-])c1F)c1nccs1 ZINC000293724177 372461314 /nfs/dbraw/zinc/46/13/14/372461314.db2.gz VVZYBBAQWUUDBJ-VIFPVBQESA-N -1 3 298.358 3.362 20 0 CGADHM Cc1cccc2c(=O)c(C(=O)N3C[C@@H]4CCC[C@@H]4C3)c[n-]c12 ZINC000164772732 372531067 /nfs/dbraw/zinc/53/10/67/372531067.db2.gz XORGAIKWPBPZBS-BETUJISGSA-N -1 3 296.370 3.121 20 0 CGADHM CCC1(CC)CN(C(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC000294145176 372595148 /nfs/dbraw/zinc/59/51/48/372595148.db2.gz LNNYNCQRCXUNFD-UHFFFAOYSA-N -1 3 284.359 3.203 20 0 CGADHM C[C@H](CN1CCCCC1)NCc1cccc([O-])c1Cl ZINC000294153976 372596635 /nfs/dbraw/zinc/59/66/35/372596635.db2.gz OYTDENHHGQDNAK-GFCCVEGCSA-N -1 3 282.815 3.010 20 0 CGADHM CCN(Cc1cccc([O-])c1Cl)C[C@H]1CCCO1 ZINC000295437809 372782092 /nfs/dbraw/zinc/78/20/92/372782092.db2.gz UGIAGOACPSXQOG-GFCCVEGCSA-N -1 3 269.772 3.047 20 0 CGADHM C[C@@H]1[C@@H](C(=O)NCc2ccc([O-])c(F)c2)[C@@H]1c1ccccc1 ZINC000435760960 372805382 /nfs/dbraw/zinc/80/53/82/372805382.db2.gz OZULUNVUAWITDA-MZPVMMEZSA-N -1 3 299.345 3.197 20 0 CGADHM Cc1ccc(C(=O)N2CC[C@]3(CC[C@@H](C)C3)C2)c([O-])c1 ZINC000436708833 372837535 /nfs/dbraw/zinc/83/75/35/372837535.db2.gz YQJNTNPEHDPTIJ-DYVFJYSZSA-N -1 3 273.376 3.353 20 0 CGADHM CC[C@@]1(C)COCCN1C(=O)c1ccc(C(C)C)cc1[O-] ZINC000436706932 372837792 /nfs/dbraw/zinc/83/77/92/372837792.db2.gz FCTRDSHVVFDACV-KRWDZBQOSA-N -1 3 291.391 3.157 20 0 CGADHM COc1ccc(F)c([N-]S(=O)(=O)C2=CCCCC2)c1 ZINC000295684647 372875382 /nfs/dbraw/zinc/87/53/82/372875382.db2.gz CRMUPWNHTBXAHB-UHFFFAOYSA-N -1 3 285.340 3.034 20 0 CGADHM Cc1nc(S(=O)(=O)[C@@H](C)c2cccc(Cl)c2)[n-]c1C ZINC000295801175 372916572 /nfs/dbraw/zinc/91/65/72/372916572.db2.gz FAHYQDJKSWBFNG-JTQLQIEISA-N -1 3 298.795 3.215 20 0 CGADHM CC[C@H](c1ccc(F)cc1)S(=O)(=O)c1nc(C)c(C)[n-]1 ZINC000295950588 372971282 /nfs/dbraw/zinc/97/12/82/372971282.db2.gz OUBJGUIGGBIISP-CYBMUJFWSA-N -1 3 296.367 3.091 20 0 CGADHM CSCc1cnc(C[N-]c2nc(C(C)C)no2)s1 ZINC000296022226 372997173 /nfs/dbraw/zinc/99/71/73/372997173.db2.gz PNOYTOUUDQAMNM-UHFFFAOYSA-N -1 3 284.410 3.125 20 0 CGADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@H](C)C1CC1 ZINC000296122338 373029376 /nfs/dbraw/zinc/02/93/76/373029376.db2.gz QQMNGRDUYUISOX-SSDOTTSWSA-N -1 3 298.180 3.448 20 0 CGADHM Cc1c(Br)ccc([O-])c1NC(=O)CC1CC1 ZINC000296222260 373057553 /nfs/dbraw/zinc/05/75/53/373057553.db2.gz WJCWLTBQEXPMIE-UHFFFAOYSA-N -1 3 284.153 3.202 20 0 CGADHM O=C([N-]C1=NCCS1)C1CCC(c2ccccc2)CC1 ZINC000173126505 373094497 /nfs/dbraw/zinc/09/44/97/373094497.db2.gz OSLRHIWGEAAVPK-UHFFFAOYSA-N -1 3 288.416 3.179 20 0 CGADHM Cc1cccc(OC(F)F)c1NC([O-])=NOC(C)C ZINC000296338519 373096169 /nfs/dbraw/zinc/09/61/69/373096169.db2.gz CDSAQDMAXHNUMD-UHFFFAOYSA-N -1 3 274.267 3.058 20 0 CGADHM Cc1cccc(OC(F)F)c1NC(=O)[N-]OC(C)C ZINC000296338519 373096172 /nfs/dbraw/zinc/09/61/72/373096172.db2.gz CDSAQDMAXHNUMD-UHFFFAOYSA-N -1 3 274.267 3.058 20 0 CGADHM COc1cc(C)cc(-c2nc(C3CC(F)(F)C3)no2)c1[O-] ZINC000296394206 373117699 /nfs/dbraw/zinc/11/76/99/373117699.db2.gz KBQFLZWEWKGBOL-UHFFFAOYSA-N -1 3 296.273 3.272 20 0 CGADHM CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1ccc([O-])c(OC)c1 ZINC000443276979 373151380 /nfs/dbraw/zinc/15/13/80/373151380.db2.gz BDVDTXLLMBWFQD-GXTWGEPZSA-N -1 3 291.391 3.442 20 0 CGADHM CC(C)OC(=O)c1cn[n-]c1-c1cc2ccccc2o1 ZINC000444404030 373186004 /nfs/dbraw/zinc/18/60/04/373186004.db2.gz KJLJEDRLKAFHEP-UHFFFAOYSA-N -1 3 270.288 3.388 20 0 CGADHM CC(C)OC(=O)c1c[n-]nc1-c1cc2ccccc2o1 ZINC000444404030 373186008 /nfs/dbraw/zinc/18/60/08/373186008.db2.gz KJLJEDRLKAFHEP-UHFFFAOYSA-N -1 3 270.288 3.388 20 0 CGADHM O=S(=O)([N-]CCC1CC1)c1c(Cl)cccc1Cl ZINC000173768895 373188552 /nfs/dbraw/zinc/18/85/52/373188552.db2.gz OMYZANUATRHVNS-UHFFFAOYSA-N -1 3 294.203 3.072 20 0 CGADHM Cc1cccc(C(=O)N2CCC[C@H](C(C)C)C2)c1[O-] ZINC000444519425 373196090 /nfs/dbraw/zinc/19/60/90/373196090.db2.gz GUVPKBQRCFZICD-ZDUSSCGKSA-N -1 3 261.365 3.209 20 0 CGADHM [O-]c1cccc(/C=C/c2nc(-c3ccc(F)cn3)no2)c1 ZINC000445383516 373310791 /nfs/dbraw/zinc/31/07/91/373310791.db2.gz FGGSCZDIBMLFKW-QPJJXVBHSA-N -1 3 283.262 3.147 20 0 CGADHM C[C@@H]1C[C@@H](C)CN(C(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC000299435452 373541864 /nfs/dbraw/zinc/54/18/64/373541864.db2.gz GXLCXTXMUQXNTL-VXGBXAGGSA-N -1 3 284.359 3.059 20 0 CGADHM C[C@@H]1CCCN(Cc2ccc(F)c(Cl)c2)[C@H]1C(=O)[O-] ZINC000300274774 373624204 /nfs/dbraw/zinc/62/42/04/373624204.db2.gz UKAVNEQULBIIDL-NOZJJQNGSA-N -1 3 285.746 3.164 20 0 CGADHM Cc1cc(C(=O)N[C@@H]2CC[C@@H](C)C[C@H]2C)ccc1[O-] ZINC000300416520 373633040 /nfs/dbraw/zinc/63/30/40/373633040.db2.gz YAQWWQRBLHIEFB-JTNHKYCSSA-N -1 3 261.365 3.255 20 0 CGADHM O=C(/C=C/c1ccc(Cl)s1)[N-]OCc1cccnc1 ZINC000178992815 373825063 /nfs/dbraw/zinc/82/50/63/373825063.db2.gz DJEQEIPWPPRWOW-GQCTYLIASA-N -1 3 294.763 3.058 20 0 CGADHM C[C@@H]1CCCN(C(=O)Cc2ccc([O-])cc2Cl)[C@H]1C ZINC000178433810 373777929 /nfs/dbraw/zinc/77/79/29/373777929.db2.gz BBVAPEBCXSEXRK-MNOVXSKESA-N -1 3 281.783 3.235 20 0 CGADHM C[C@@H]1CN(C(=O)/C=C/c2cncc([O-])c2)[C@@H]1c1ccccc1 ZINC000179524831 373883412 /nfs/dbraw/zinc/88/34/12/373883412.db2.gz ZKZOFADOVYRLRC-XUOUYXDASA-N -1 3 294.354 3.020 20 0 CGADHM Cc1nc(C)c(C(=O)Nc2c(C)cccc2[O-])s1 ZINC000179547233 373885564 /nfs/dbraw/zinc/88/55/64/373885564.db2.gz ZVQUHTLMEYADBR-UHFFFAOYSA-N -1 3 262.334 3.026 20 0 CGADHM CC[C@@H](C)c1cc(C(=O)Nc2c(C)cccc2[O-])on1 ZINC000179545548 373885889 /nfs/dbraw/zinc/88/58/89/373885889.db2.gz HGVXMBJSFCITPI-SECBINFHSA-N -1 3 274.320 3.454 20 0 CGADHM Cc1cccc([O-])c1NC(=O)CCc1ccccc1 ZINC000179552140 373885974 /nfs/dbraw/zinc/88/59/74/373885974.db2.gz AWPPXXKKUKXKGI-UHFFFAOYSA-N -1 3 255.317 3.272 20 0 CGADHM CCOc1ccc(CC(=O)Nc2c(C)cccc2[O-])cc1 ZINC000179549186 373886105 /nfs/dbraw/zinc/88/61/05/373886105.db2.gz VQMADLMEVHKFBQ-UHFFFAOYSA-N -1 3 285.343 3.281 20 0 CGADHM Cc1cccc([O-])c1NC(=O)c1ccc(-n2cccn2)cc1 ZINC000179545214 373886222 /nfs/dbraw/zinc/88/62/22/373886222.db2.gz XXXUXKRXMFXACD-UHFFFAOYSA-N -1 3 293.326 3.139 20 0 CGADHM Cc1cccc([O-])c1NC(=O)Cc1cc(F)ccc1F ZINC000179563277 373888050 /nfs/dbraw/zinc/88/80/50/373888050.db2.gz IYRJBPPCJKKSPJ-UHFFFAOYSA-N -1 3 277.270 3.160 20 0 CGADHM O=C([N-]c1ncccc1Cl)c1c(F)cc(F)cc1F ZINC000179941384 373944731 /nfs/dbraw/zinc/94/47/31/373944731.db2.gz BFUKAECHNQFABE-UHFFFAOYSA-N -1 3 286.640 3.405 20 0 CGADHM C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)Cc1ccc([O-])c(F)c1 ZINC000449879432 373954659 /nfs/dbraw/zinc/95/46/59/373954659.db2.gz HIWZEJHTASYHQS-OSAQELSMSA-N -1 3 291.366 3.253 20 0 CGADHM CC[C@@H](CC(C)C)C(=O)NCc1ccc([O-])c(F)c1 ZINC000449912446 373968115 /nfs/dbraw/zinc/96/81/15/373968115.db2.gz KRSBIKJJCNHMSC-LBPRGKRZSA-N -1 3 267.344 3.220 20 0 CGADHM Cc1ccc(CNC(=O)c2cccc(C)c2[O-])cc1F ZINC000302880621 373993794 /nfs/dbraw/zinc/99/37/94/373993794.db2.gz VUFVQCZKYWDHDC-UHFFFAOYSA-N -1 3 273.307 3.078 20 0 CGADHM CC(C)(CNC(=O)c1ccccc1[O-])Cc1ccccc1 ZINC000303677361 374027357 /nfs/dbraw/zinc/02/73/57/374027357.db2.gz LJVZTSKSRJWQQV-UHFFFAOYSA-N -1 3 283.371 3.391 20 0 CGADHM Cc1cccc(O[C@@H](C)CNC(=O)c2ccc(C)cc2[O-])c1 ZINC000303975435 374033834 /nfs/dbraw/zinc/03/38/34/374033834.db2.gz VIEHHRYWYXGGNM-AWEZNQCLSA-N -1 3 299.370 3.206 20 0 CGADHM C[C@H]1CCC[C@]1(C)C(=O)Nc1cc(F)ccc1[O-] ZINC000450402947 374105664 /nfs/dbraw/zinc/10/56/64/374105664.db2.gz LLQMFAGQTHLDOG-XPTSAGLGSA-N -1 3 251.301 3.296 20 0 CGADHM Cc1cc(CN2CC[C@H](CC(C)C)C2)oc1C(=O)[O-] ZINC000307826689 374154571 /nfs/dbraw/zinc/15/45/71/374154571.db2.gz XEUDTMUTOOEQIC-GFCCVEGCSA-N -1 3 265.353 3.154 20 0 CGADHM Cc1oc(CN2CC[C@H](CC(C)C)C2)cc1C(=O)[O-] ZINC000307821367 374154807 /nfs/dbraw/zinc/15/48/07/374154807.db2.gz QJCOQOWQRRYJLF-GFCCVEGCSA-N -1 3 265.353 3.154 20 0 CGADHM O=C([O-])[C@@H]1C=C[C@H](NCc2ccc(Cl)cc2Cl)C1 ZINC000310859152 374227977 /nfs/dbraw/zinc/22/79/77/374227977.db2.gz NOYDYKFMZYQMBZ-KCJUWKMLSA-N -1 3 286.158 3.112 20 0 CGADHM Cc1csc(S(=O)(=O)[N-][C@H]2CCCc3occc32)c1 ZINC000451028714 374188693 /nfs/dbraw/zinc/18/86/93/374188693.db2.gz SBLGPAKPAMYGFL-NSHDSACASA-N -1 3 297.401 3.005 20 0 CGADHM CC1(C)CCC(CNC(=O)c2cccc([O-])c2)CC1 ZINC000311502403 374245786 /nfs/dbraw/zinc/24/57/86/374245786.db2.gz XEEYZOZNHWOHDQ-UHFFFAOYSA-N -1 3 261.365 3.338 20 0 CGADHM Cn1cccc1[C@@H]1CCCCN1C(=O)c1cccc([O-])c1 ZINC000182544321 374287234 /nfs/dbraw/zinc/28/72/34/374287234.db2.gz DPIBUHXVMSJSLZ-INIZCTEOSA-N -1 3 284.359 3.098 20 0 CGADHM COc1ccc(N(C)C(=O)c2cccc([O-])c2)cc1Cl ZINC000182598743 374295956 /nfs/dbraw/zinc/29/59/56/374295956.db2.gz VMLJFLFPWHGZNC-UHFFFAOYSA-N -1 3 291.734 3.331 20 0 CGADHM Cc1noc(C2CC2)c1NC(=O)c1ccc([O-])c(C)c1 ZINC000334145138 206071448 /nfs/dbraw/zinc/07/14/48/206071448.db2.gz KESKUMVQSNECND-UHFFFAOYSA-N -1 3 272.304 3.127 20 0 CGADHM C[C@H]1C[C@H]1c1ccc(CN2CCC(C)(C(=O)[O-])CC2)o1 ZINC000086776666 541940251 /nfs/dbraw/zinc/94/02/51/541940251.db2.gz BHYCAMXCKVMTNG-WCQYABFASA-N -1 3 277.364 3.090 20 0 CGADHM CCCOc1cccc(CN2CCC(C)(C(=O)[O-])CC2)c1 ZINC000086776434 541940421 /nfs/dbraw/zinc/94/04/21/541940421.db2.gz SGIQMKQLYFKYQP-UHFFFAOYSA-N -1 3 291.391 3.162 20 0 CGADHM CCc1cc(C(=O)N2CCCc3occc3C2)ccc1[O-] ZINC000330297065 374452954 /nfs/dbraw/zinc/45/29/54/374452954.db2.gz GQTASKCDKRBDGW-UHFFFAOYSA-N -1 3 285.343 3.136 20 0 CGADHM O=[S@@](Cc1ccc(Cl)cc1)c1cccc([O-])c1 ZINC000184067343 374488009 /nfs/dbraw/zinc/48/80/09/374488009.db2.gz JLPGUHDZTBAVAR-KRWDZBQOSA-N -1 3 266.749 3.353 20 0 CGADHM C[C@@H]1CC(C(=O)NCc2ccc([O-])c(F)c2)C[C@@H](C)C1 ZINC000183907898 374472054 /nfs/dbraw/zinc/47/20/54/374472054.db2.gz QVFACBMCMFFOAK-QWRGUYRKSA-N -1 3 279.355 3.220 20 0 CGADHM COc1cc(C(=O)N2C[C@@H](C(C)C)[C@H]2C(C)C)ccc1[O-] ZINC000456356839 374525038 /nfs/dbraw/zinc/52/50/38/374525038.db2.gz XRIDRRDKPOXGLK-XJKSGUPXSA-N -1 3 291.391 3.153 20 0 CGADHM C[C@@H]1C[C@H](CC(=O)NCc2ncccc2[O-])CC(C)(C)C1 ZINC000331029686 374497023 /nfs/dbraw/zinc/49/70/23/374497023.db2.gz YGVQIFPKLZOIKA-CHWSQXEVSA-N -1 3 290.407 3.256 20 0 CGADHM Cc1cc(C(=O)N2C[C@@H](C)C[C@H]2c2cccnc2)ccc1[O-] ZINC000334187353 206164526 /nfs/dbraw/zinc/16/45/26/206164526.db2.gz FWOCFBYRWZECLX-LRDDRELGSA-N -1 3 296.370 3.319 20 0 CGADHM CO[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1[O-])C1CC1 ZINC000332130973 374554786 /nfs/dbraw/zinc/55/47/86/374554786.db2.gz DUQJKVKQYIDJCL-AWEZNQCLSA-N -1 3 277.364 3.053 20 0 CGADHM CN(Cc1ccco1)C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000332144390 374557169 /nfs/dbraw/zinc/55/71/69/374557169.db2.gz QNHFTTKGXGGLSX-UHFFFAOYSA-N -1 3 285.343 3.136 20 0 CGADHM CC1(C2(NC(=O)Cc3ccc([O-])cc3Cl)CC2)CC1 ZINC000456639794 374587690 /nfs/dbraw/zinc/58/76/90/374587690.db2.gz DVBOEKWJBGFBOM-UHFFFAOYSA-N -1 3 279.767 3.037 20 0 CGADHM CSCc1ccccc1NC(=O)c1ccc2n[n-]nc2c1 ZINC000185076409 374584045 /nfs/dbraw/zinc/58/40/45/374584045.db2.gz PUZXQPOEZRXIFW-UHFFFAOYSA-N -1 3 298.371 3.073 20 0 CGADHM Cc1cccc([O-])c1NC(=O)c1noc2c1C[C@H](C)CC2 ZINC000334229718 206224826 /nfs/dbraw/zinc/22/48/26/206224826.db2.gz IRIDFBRNRLLYJZ-SECBINFHSA-N -1 3 286.331 3.066 20 0 CGADHM Cc1cccc([O-])c1NC(=O)c1c[nH]c(C(F)(F)F)c1 ZINC000334228365 206220962 /nfs/dbraw/zinc/22/09/62/206220962.db2.gz GSZCVAQEMNSCQC-UHFFFAOYSA-N -1 3 284.237 3.300 20 0 CGADHM O=C(Nc1cc2c(cn1)CCC2)c1cc([O-])ccc1Cl ZINC000334242240 206244509 /nfs/dbraw/zinc/24/45/09/206244509.db2.gz OIAVQXWZCSSCOK-UHFFFAOYSA-N -1 3 288.734 3.182 20 0 CGADHM O=C(c1ccccc1[O-])N1CCC(CC(F)(F)F)CC1 ZINC000334242024 206244519 /nfs/dbraw/zinc/24/45/19/206244519.db2.gz QCEMBTOAQLICOF-UHFFFAOYSA-N -1 3 287.281 3.197 20 0 CGADHM Cc1ccc(C(=O)Nc2cc(C(N)=O)ccc2C)c([O-])c1C ZINC000334149385 374648399 /nfs/dbraw/zinc/64/83/99/374648399.db2.gz HJGCFSJGKIXRGQ-UHFFFAOYSA-N -1 3 298.342 3.453 20 0 CGADHM Cc1cc(C(=O)N2C[C@@H](C)C[C@@H]2c2cccnc2)ccc1[O-] ZINC000334187343 374655941 /nfs/dbraw/zinc/65/59/41/374655941.db2.gz FWOCFBYRWZECLX-BLLLJJGKSA-N -1 3 296.370 3.319 20 0 CGADHM CCc1ccc(CNCc2cc([O-])cc(F)c2)s1 ZINC000185467655 374667381 /nfs/dbraw/zinc/66/73/81/374667381.db2.gz UDQPBERZCHEZHG-UHFFFAOYSA-N -1 3 265.353 3.445 20 0 CGADHM Cc1ccc(C(=O)N2CC[C@@H](C)c3cccc([O-])c32)n1C ZINC000186255111 374822739 /nfs/dbraw/zinc/82/27/39/374822739.db2.gz RRZWWLNBOPSQTC-LLVKDONJSA-N -1 3 284.359 3.193 20 0 CGADHM CC(C)(C)C1CC(NC(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC000334469753 374777123 /nfs/dbraw/zinc/77/71/23/374777123.db2.gz HLJISUXZSZCYKK-UHFFFAOYSA-N -1 3 298.386 3.083 20 0 CGADHM C[C@H]1C(=O)CC[C@H](C(=O)Nc2cccc([O-])c2F)C1(C)C ZINC000334583404 374882911 /nfs/dbraw/zinc/88/29/11/374882911.db2.gz RLRFWHVTAOHLSL-VHSXEESVSA-N -1 3 293.338 3.111 20 0 CGADHM CC(C)CC[C@H]1CCCCN1C(=O)c1csc(=O)[n-]1 ZINC000472323177 375019794 /nfs/dbraw/zinc/01/97/94/375019794.db2.gz SZKYKSDASQSCIX-LLVKDONJSA-N -1 3 282.409 3.280 20 0 CGADHM CCCCC[N-]S(=O)(=O)c1cc(C)c(Cl)s1 ZINC000473921405 375066498 /nfs/dbraw/zinc/06/64/98/375066498.db2.gz VJMLSYQCIABALA-UHFFFAOYSA-N -1 3 281.830 3.178 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])C1=CCCCC1 ZINC000188601009 375241007 /nfs/dbraw/zinc/24/10/07/375241007.db2.gz FQMQWVHIKRQMDS-UHFFFAOYSA-N -1 3 251.713 3.485 20 0 CGADHM CCc1cc(C(=O)N[C@@H](C)CCC2CC2)ccc1[O-] ZINC000487184299 375206206 /nfs/dbraw/zinc/20/62/06/375206206.db2.gz GIOZCTYXSWCSMM-NSHDSACASA-N -1 3 261.365 3.263 20 0 CGADHM CCc1ccc(C(=O)N2CCCC[C@@H](SC)C2)c([O-])c1 ZINC000188477214 375221502 /nfs/dbraw/zinc/22/15/02/375221502.db2.gz SNVBGTHJLWRZIS-CYBMUJFWSA-N -1 3 293.432 3.312 20 0 CGADHM CCc1ccc(C(=O)N2CCc3sccc3C2)c([O-])c1 ZINC000188863098 375283317 /nfs/dbraw/zinc/28/33/17/375283317.db2.gz FFMXZOHXAJWAIQ-UHFFFAOYSA-N -1 3 287.384 3.215 20 0 CGADHM CC1(C)CCCCN(C(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC000335736176 375388176 /nfs/dbraw/zinc/38/81/76/375388176.db2.gz PQCYIOPEOJVLSR-UHFFFAOYSA-N -1 3 298.386 3.180 20 0 CGADHM O=C(Nc1ccc([O-])cc1F)[C@@H]1CCC(=O)c2ccccc21 ZINC000335827250 375463438 /nfs/dbraw/zinc/46/34/38/375463438.db2.gz FNJVWBNRGMGSMP-CYBMUJFWSA-N -1 3 299.301 3.230 20 0 CGADHM CC(=O)c1ccc(C(=O)Nc2cc(F)ccc2[O-])s1 ZINC000335829026 375465263 /nfs/dbraw/zinc/46/52/63/375465263.db2.gz YGEALRFGUXYHIB-UHFFFAOYSA-N -1 3 279.292 3.048 20 0 CGADHM C[C@@H](NC(=O)c1ccc(O)cc1[O-])c1cc2ccccc2o1 ZINC000189658754 375431344 /nfs/dbraw/zinc/43/13/44/375431344.db2.gz GUCQMAOBCYMGDG-SNVBAGLBSA-N -1 3 297.310 3.335 20 0 CGADHM Cc1cc(C(=O)Nc2cc(C(N)=O)ccc2C)ccc1[O-] ZINC000335805147 375444842 /nfs/dbraw/zinc/44/48/42/375444842.db2.gz CFMSDIGUHUHAKT-UHFFFAOYSA-N -1 3 284.315 3.145 20 0 CGADHM COc1cccc(C(=O)Nc2ccnc(C)c2Cl)c1[O-] ZINC000124794651 542033480 /nfs/dbraw/zinc/03/34/80/542033480.db2.gz BEDBWAIYYLJUCH-UHFFFAOYSA-N -1 3 292.722 3.010 20 0 CGADHM COc1ccc2c(c1)[C@@H](C(=O)Nc1ccccc1[O-])CC2 ZINC000336135007 375713539 /nfs/dbraw/zinc/71/35/39/375713539.db2.gz WYTFLIXRULDENH-ZDUSSCGKSA-N -1 3 283.327 3.069 20 0 CGADHM Cc1ncsc1NC(=O)c1cc([O-])ccc1Cl ZINC000336441354 375793461 /nfs/dbraw/zinc/79/34/61/375793461.db2.gz BCFWPHSTTKYALV-UHFFFAOYSA-N -1 3 268.725 3.063 20 0 CGADHM CCS[C@H]1CCCC[C@@H]1N[C@@H](C)c1nc(C)cc(=O)[n-]1 ZINC000192794240 375789908 /nfs/dbraw/zinc/78/99/08/375789908.db2.gz JERUKQSOVCXJKN-AVGNSLFASA-N -1 3 295.452 3.206 20 0 CGADHM CC(=O)Nc1ccc(C)c(NCc2cc([O-])cc(F)c2)c1 ZINC000223107381 376246774 /nfs/dbraw/zinc/24/67/74/376246774.db2.gz LCBSPQSQYOZXPQ-UHFFFAOYSA-N -1 3 288.322 3.410 20 0 CGADHM CCS[C@H]1CCC[C@H]1NC(=O)c1ccc(C)cc1[O-] ZINC000225705775 376321789 /nfs/dbraw/zinc/32/17/89/376321789.db2.gz KDAMXBWIKFBHOO-OCCSQVGLSA-N -1 3 279.405 3.105 20 0 CGADHM C[C@@H](CC(=O)N1CCCc2cccc([O-])c21)n1cccc1 ZINC000539815802 376333475 /nfs/dbraw/zinc/33/34/75/376333475.db2.gz FXEJAQFGNKPXHZ-ZDUSSCGKSA-N -1 3 284.359 3.124 20 0 CGADHM CCc1cccc(C(=O)Nc2ccc(F)cc2F)c1[O-] ZINC000539845258 376341804 /nfs/dbraw/zinc/34/18/04/376341804.db2.gz ARDFAPIWOAEIBI-UHFFFAOYSA-N -1 3 277.270 3.485 20 0 CGADHM CCc1cc(=O)[n-]c(CN(C)[C@H](C)C2CCCCC2)n1 ZINC000338354169 376347312 /nfs/dbraw/zinc/34/73/12/376347312.db2.gz IDPWTAOXTXTASW-GFCCVEGCSA-N -1 3 277.412 3.145 20 0 CGADHM CCC(CC)(OC)c1noc(-c2ccc(C)cc2[O-])n1 ZINC000227834027 376415257 /nfs/dbraw/zinc/41/52/57/376415257.db2.gz QATNSAOIDPIQET-UHFFFAOYSA-N -1 3 276.336 3.412 20 0 CGADHM C[C@@H](c1ccc(F)c(F)c1)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000226419664 376357820 /nfs/dbraw/zinc/35/78/20/376357820.db2.gz DQVBRDHZJGJHFF-QWRGUYRKSA-N -1 3 283.318 3.213 20 0 CGADHM Cc1cc(C(=O)NCC(C)(C)c2cccs2)ccc1[O-] ZINC000226997347 376377314 /nfs/dbraw/zinc/37/73/14/376377314.db2.gz QEUZOWWUUMSNAS-UHFFFAOYSA-N -1 3 289.400 3.470 20 0 CGADHM O=[S@@](Cc1nc(C2CC2)cs1)c1cccc([O-])c1 ZINC000541762311 376478331 /nfs/dbraw/zinc/47/83/31/376478331.db2.gz LKSRPUBFKVWWRS-SFHVURJKSA-N -1 3 279.386 3.034 20 0 CGADHM COc1cccc(Cl)c1CN[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000228805393 376448658 /nfs/dbraw/zinc/44/86/58/376448658.db2.gz FIJLRRYZLQBICE-WDEREUQCSA-N -1 3 297.782 3.082 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)[C@@H]2CCSC2)c1[O-] ZINC000334297400 206326996 /nfs/dbraw/zinc/32/69/96/206326996.db2.gz CWTSROFHJKQLNL-MRVPVSSYSA-N -1 3 271.769 3.046 20 0 CGADHM Cc1cccc(CN(C)C(=O)c2cc([O-])ccc2Cl)n1 ZINC000234323792 376615652 /nfs/dbraw/zinc/61/56/52/376615652.db2.gz CKKUSKMRLBAOPX-UHFFFAOYSA-N -1 3 290.750 3.021 20 0 CGADHM CN(CC1CCCC1)C(=O)c1cc([O-])ccc1Cl ZINC000234278580 376615813 /nfs/dbraw/zinc/61/58/13/376615813.db2.gz XEEUWXLOTHYILW-UHFFFAOYSA-N -1 3 267.756 3.308 20 0 CGADHM O=C(Nc1ccc(Cl)cc1[O-])c1cccc2c[nH]nc21 ZINC000339007520 376626106 /nfs/dbraw/zinc/62/61/06/376626106.db2.gz POYAFXUPLFLGOK-UHFFFAOYSA-N -1 3 287.706 3.174 20 0 CGADHM O=C(Nc1ccc(Cl)cc1[O-])c1cccc2cn[nH]c21 ZINC000339007520 376626111 /nfs/dbraw/zinc/62/61/11/376626111.db2.gz POYAFXUPLFLGOK-UHFFFAOYSA-N -1 3 287.706 3.174 20 0 CGADHM C[C@@H](Cc1cccs1)NC(=O)c1cc([O-])ccc1Cl ZINC000235151518 376631807 /nfs/dbraw/zinc/63/18/07/376631807.db2.gz RMHIFVNIKQTJPM-VIFPVBQESA-N -1 3 295.791 3.468 20 0 CGADHM Cc1ccc(CNCc2cccc(C(=O)[O-])c2)s1 ZINC000235889642 376652025 /nfs/dbraw/zinc/65/20/25/376652025.db2.gz OLTWETMIUUSHSG-UHFFFAOYSA-N -1 3 261.346 3.045 20 0 CGADHM CCc1[n-][nH]c(=NC(=O)[C@H](C)CCC(C)(C)C)c1C ZINC000543646270 376663381 /nfs/dbraw/zinc/66/33/81/376663381.db2.gz GEPSQXICKPFUBY-SNVBAGLBSA-N -1 3 265.401 3.103 20 0 CGADHM COc1ccc(NC(=O)c2c(F)cc(F)cc2F)c([O-])c1 ZINC000135428865 542087419 /nfs/dbraw/zinc/08/74/19/542087419.db2.gz RLRILWZDHJZMKT-UHFFFAOYSA-N -1 3 297.232 3.070 20 0 CGADHM COc1ccc(NC(=O)c2ccccc2Cl)c([O-])c1 ZINC000135410272 542087622 /nfs/dbraw/zinc/08/76/22/542087622.db2.gz BNHBOIKMBVGUCW-UHFFFAOYSA-N -1 3 277.707 3.307 20 0 CGADHM CN(C)c1ccc(C(=O)Nc2ccc(Cl)cc2[O-])cc1 ZINC000153689576 542113716 /nfs/dbraw/zinc/11/37/16/542113716.db2.gz RZMPIXSPOIEAIL-UHFFFAOYSA-N -1 3 290.750 3.364 20 0 CGADHM COc1cc(F)c([N-]C(=O)c2sccc2F)cc1OC ZINC000340034460 376897662 /nfs/dbraw/zinc/89/76/62/376897662.db2.gz WSPBEQQBZGUMEG-UHFFFAOYSA-N -1 3 299.298 3.296 20 0 CGADHM Cc1ccc(NC(=O)[C@H](C)Oc2ccccc2F)c([O-])c1 ZINC000340033784 376896474 /nfs/dbraw/zinc/89/64/74/376896474.db2.gz PHVCVZTUQJAEKG-NSHDSACASA-N -1 3 289.306 3.246 20 0 CGADHM CCO[C@H](CC(=O)Nc1ccc(C)cc1[O-])C(C)C ZINC000340034120 376896646 /nfs/dbraw/zinc/89/66/46/376896646.db2.gz SEULRLRPJUWVPB-CQSZACIVSA-N -1 3 265.353 3.090 20 0 CGADHM CC1=C(C(=O)Nc2cc(Cl)ccc2[O-])CCC1 ZINC000340243420 376960764 /nfs/dbraw/zinc/96/07/64/376960764.db2.gz OMRCPOLGVRMJJX-UHFFFAOYSA-N -1 3 251.713 3.485 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)CN2CCC(C)CC2)c1[O-] ZINC000340327566 377001640 /nfs/dbraw/zinc/00/16/40/377001640.db2.gz UVMULRSNKIKIFJ-UHFFFAOYSA-N -1 3 296.798 3.024 20 0 CGADHM CC[C@H](C)[C@H](C)C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000558411605 377004660 /nfs/dbraw/zinc/00/46/60/377004660.db2.gz JKMUGTBXRXOAQD-UWVGGRQHSA-N -1 3 263.337 3.216 20 0 CGADHM O=C(Nc1cccc([O-])c1F)[C@@H]1CC2CCC1CC2 ZINC000560343432 377141067 /nfs/dbraw/zinc/14/10/67/377141067.db2.gz SNBJUDCHQSPQOL-VQXHTEKXSA-N -1 3 263.312 3.296 20 0 CGADHM CC(C)c1ccccc1NC(=O)Cc1cncc([O-])c1 ZINC000561109818 377208834 /nfs/dbraw/zinc/20/88/34/377208834.db2.gz RHHJDNAZONMTQS-UHFFFAOYSA-N -1 3 270.332 3.092 20 0 CGADHM CC(C)(C)CCCCC(=O)N=c1cc2ccccn2[n-]1 ZINC000561546821 377233070 /nfs/dbraw/zinc/23/30/70/377233070.db2.gz YFIUBOFNIGVWMV-UHFFFAOYSA-N -1 3 273.380 3.301 20 0 CGADHM CCC[C@H](C)N(C)C(=O)c1c[n-]c2ccc(C)cc2c1=O ZINC000340732967 377239163 /nfs/dbraw/zinc/23/91/63/377239163.db2.gz BZCSMASIBYSKDI-LBPRGKRZSA-N -1 3 286.375 3.097 20 0 CGADHM CCc1cc(C(=O)N2C[C@H](C)C[C@@H](C)C2)ccc1[O-] ZINC000340910534 377316482 /nfs/dbraw/zinc/31/64/82/377316482.db2.gz DRVOSXKJTOADGV-VXGBXAGGSA-N -1 3 261.365 3.073 20 0 CGADHM CCc1cc(=O)[n-]c(CSCc2ccc(Cl)cn2)n1 ZINC000562150232 377280514 /nfs/dbraw/zinc/28/05/14/377280514.db2.gz CEJPMDONFLQISR-UHFFFAOYSA-N -1 3 295.795 3.226 20 0 CGADHM C/C=C\c1ccc([N-]S(=O)(=O)C[C@H]2CCCCO2)cc1 ZINC000341058645 377377916 /nfs/dbraw/zinc/37/79/16/377377916.db2.gz DVTHZTCFLPQPDF-ZSQCLPQSSA-N -1 3 295.404 3.031 20 0 CGADHM O=C(Nc1cccnc1)c1c[n-]nc1-c1cccc(Cl)c1 ZINC000086964278 249019356 /nfs/dbraw/zinc/01/93/56/249019356.db2.gz WSDNDPAFVPEJKL-UHFFFAOYSA-N -1 3 298.733 3.377 20 0 CGADHM Cc1ccc(C(=O)N2CCc3cc(F)ccc3C2)c([O-])c1 ZINC000092100931 249031399 /nfs/dbraw/zinc/03/13/99/249031399.db2.gz KNHYSLOYYMWSEV-UHFFFAOYSA-N -1 3 285.318 3.038 20 0 CGADHM Cc1c(CNC(=O)c2c([O-])cccc2O)oc2ccccc12 ZINC000092122084 249033136 /nfs/dbraw/zinc/03/31/36/249033136.db2.gz ZNHGXCFWFDCBIH-UHFFFAOYSA-N -1 3 297.310 3.082 20 0 CGADHM Cc1ccc(-c2nnc(NC(=O)C[C@H]3C=CCCC3)[n-]2)o1 ZINC000188438021 249058006 /nfs/dbraw/zinc/05/80/06/249058006.db2.gz XGCKOWDNUCFRAM-NSHDSACASA-N -1 3 286.335 3.058 20 0 CGADHM Cc1ccc(-c2n[n-]c(NC(=O)C[C@H]3C=CCCC3)n2)o1 ZINC000188438021 249058010 /nfs/dbraw/zinc/05/80/10/249058010.db2.gz XGCKOWDNUCFRAM-NSHDSACASA-N -1 3 286.335 3.058 20 0 CGADHM Cc1ccc(-c2nc(NC(=O)C[C@H]3C=CCCC3)n[n-]2)o1 ZINC000188438021 249058013 /nfs/dbraw/zinc/05/80/13/249058013.db2.gz XGCKOWDNUCFRAM-NSHDSACASA-N -1 3 286.335 3.058 20 0 CGADHM CC(C)c1noc([N-]Cc2ccc3c(n2)CCCC3)n1 ZINC000278009889 249067651 /nfs/dbraw/zinc/06/76/51/249067651.db2.gz OCJROXQTCDBDCF-UHFFFAOYSA-N -1 3 272.352 3.079 20 0 CGADHM C[C@@H]1C[C@H](C)N(Cc2cccc([O-])c2Br)C1 ZINC000315258205 249098436 /nfs/dbraw/zinc/09/84/36/249098436.db2.gz LNDWWMLYUAYZFM-ZJUUUORDSA-N -1 3 284.197 3.385 20 0 CGADHM CCN(Cc1ccccc1C)[C@@H](C(=O)[O-])c1cccnc1 ZINC000515174922 249203507 /nfs/dbraw/zinc/20/35/07/249203507.db2.gz WBSCJEDLUKKZQR-MRXNPFEDSA-N -1 3 284.359 3.038 20 0 CGADHM O=C(CCCc1nccs1)Nc1c([O-])cccc1Cl ZINC000516515254 249235356 /nfs/dbraw/zinc/23/53/56/249235356.db2.gz ONQNFLZAKWLEAE-UHFFFAOYSA-N -1 3 296.779 3.464 20 0 CGADHM Cc1ccc2ncc(CN(C[C@@H](C)C(=O)[O-])C3CC3)cc2c1 ZINC000515855237 249222280 /nfs/dbraw/zinc/22/22/80/249222280.db2.gz ASQFXPNJHDBSGA-CYBMUJFWSA-N -1 3 298.386 3.228 20 0 CGADHM Cc1ccc2ncc(CN(C[C@H](C)C(=O)[O-])C3CC3)cc2c1 ZINC000515855239 249222440 /nfs/dbraw/zinc/22/24/40/249222440.db2.gz ASQFXPNJHDBSGA-ZDUSSCGKSA-N -1 3 298.386 3.228 20 0 CGADHM CCS[C@H]1CCCCN(Cc2ccoc2C(=O)[O-])C1 ZINC000518387202 249280240 /nfs/dbraw/zinc/28/02/40/249280240.db2.gz ZVGQWENYRNBFMI-LBPRGKRZSA-N -1 3 283.393 3.085 20 0 CGADHM C[C@@H]1CC[C@H](C(=O)[O-])[C@H](C)N1Cc1cccc(Cl)c1 ZINC000518566065 249283447 /nfs/dbraw/zinc/28/34/47/249283447.db2.gz YTOAYAFVMKJRLU-SUNKGSAMSA-N -1 3 281.783 3.414 20 0 CGADHM O=S(=O)([N-]c1cccc(F)c1Cl)c1ccccc1 ZINC000342649899 377712594 /nfs/dbraw/zinc/71/25/94/377712594.db2.gz XCKXFZMARHWFGG-UHFFFAOYSA-N -1 3 285.727 3.280 20 0 CGADHM O=C([O-])[C@H](c1c(F)cccc1Cl)N1C[C@H]2CCC[C@@H]2C1 ZINC000574816937 377712414 /nfs/dbraw/zinc/71/24/14/377712414.db2.gz XSJTUHQDTOUDDS-RULNRJAQSA-N -1 3 297.757 3.337 20 0 CGADHM CC[C@H](CNC(=O)c1cccc(OC)c1[O-])c1ccccc1 ZINC000261366920 377809567 /nfs/dbraw/zinc/80/95/67/377809567.db2.gz ORFWBLIWEYJJQO-CYBMUJFWSA-N -1 3 299.370 3.324 20 0 CGADHM CCCc1ccc2nccc(N(C)CCC(=O)[O-])c2c1 ZINC000263385180 377931145 /nfs/dbraw/zinc/93/11/45/377931145.db2.gz DPEWHSILJNZMAZ-UHFFFAOYSA-N -1 3 272.348 3.098 20 0 CGADHM COc1ccccc1C(C)(C)NCc1ccc(C(=O)[O-])cc1 ZINC000263411582 377933955 /nfs/dbraw/zinc/93/39/55/377933955.db2.gz LOCJXCZRVBEDJZ-UHFFFAOYSA-N -1 3 299.370 3.418 20 0 CGADHM CC(C)(C)c1cnc(NCc2c(F)ccc([O-])c2F)s1 ZINC000577790576 378012815 /nfs/dbraw/zinc/01/28/15/378012815.db2.gz KAYQQQUBMRGBAE-UHFFFAOYSA-N -1 3 298.358 3.458 20 0 CGADHM CC(C)(C)C[C@H](O)CC(=O)Nc1c([O-])cccc1Cl ZINC000578246627 378051963 /nfs/dbraw/zinc/05/19/63/378051963.db2.gz WUTAUWYABJILFF-SECBINFHSA-N -1 3 285.771 3.171 20 0 CGADHM CC(C)(C)CC(C)(C)NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000578376200 378063144 /nfs/dbraw/zinc/06/31/44/378063144.db2.gz UIYOMRWZEYIWAV-UHFFFAOYSA-N -1 3 291.395 3.004 20 0 CGADHM Cc1cncc(CCC(=O)Nc2ccc(Cl)cc2[O-])c1 ZINC000343886191 378125050 /nfs/dbraw/zinc/12/50/50/378125050.db2.gz JORXTRXRPHXJPR-UHFFFAOYSA-N -1 3 290.750 3.320 20 0 CGADHM O=C([O-])CCCCN1CC[C@H](c2c(F)cccc2F)C1 ZINC000579722654 378187989 /nfs/dbraw/zinc/18/79/89/378187989.db2.gz MWDPNBMIUGKMTP-NSHDSACASA-N -1 3 283.318 3.009 20 0 CGADHM C[C@@H](c1ccccc1)N(C)Cc1ccc(OCC(=O)[O-])cc1 ZINC000579961658 378211657 /nfs/dbraw/zinc/21/16/57/378211657.db2.gz MLARGWHBEKWFHP-AWEZNQCLSA-N -1 3 299.370 3.343 20 0 CGADHM CCC[C@]1(C)CCCN(Cc2occc2C(=O)[O-])C1 ZINC000579967695 378212612 /nfs/dbraw/zinc/21/26/12/378212612.db2.gz UTAIAAAZNUZPIN-OAHLLOKOSA-N -1 3 265.353 3.380 20 0 CGADHM CCC[C@H](C)C[C@@H](NCc1cccc(F)c1F)C(=O)[O-] ZINC000580388347 378246778 /nfs/dbraw/zinc/24/67/78/378246778.db2.gz UXBPOKWPXHOEGP-GXFFZTMASA-N -1 3 285.334 3.334 20 0 CGADHM CC(C)CO[N-]C(=O)Nc1ccc2ncsc2c1 ZINC000269732276 378261091 /nfs/dbraw/zinc/26/10/91/378261091.db2.gz XWZPQNXUYYVHKQ-UHFFFAOYSA-N -1 3 265.338 3.005 20 0 CGADHM CC[C@H](CSC)N(C)Cc1ccc(C(=O)[O-])cc1F ZINC000582246579 378297638 /nfs/dbraw/zinc/29/76/38/378297638.db2.gz GPMICRNTNCKVEJ-GFCCVEGCSA-N -1 3 285.384 3.097 20 0 CGADHM CC[C@@H](CSC)N(C)Cc1ccc(C(=O)[O-])cc1F ZINC000582246580 378297786 /nfs/dbraw/zinc/29/77/86/378297786.db2.gz GPMICRNTNCKVEJ-LBPRGKRZSA-N -1 3 285.384 3.097 20 0 CGADHM CCCN(Cc1ccsc1C(=O)[O-])C[C@@H]1CCCCO1 ZINC000583569910 378332663 /nfs/dbraw/zinc/33/26/63/378332663.db2.gz SUWSZQHFYUVJKJ-ZDUSSCGKSA-N -1 3 297.420 3.227 20 0 CGADHM Cc1ccc(C(=O)N2CC=C(C(F)(F)F)CC2)c([O-])c1C ZINC000270337266 378336965 /nfs/dbraw/zinc/33/69/65/378336965.db2.gz NAFVAGPFOPKAIV-UHFFFAOYSA-N -1 3 299.292 3.344 20 0 CGADHM Cc1c2cc(C)ccc2[nH]c1C(=O)Nc1nc(C)ccc1[O-] ZINC000345942417 378415955 /nfs/dbraw/zinc/41/59/55/378415955.db2.gz PHISMSCPIIMFMD-UHFFFAOYSA-N -1 3 295.342 3.446 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2ccc(Cl)cc2F)n1 ZINC000345927742 378410550 /nfs/dbraw/zinc/41/05/50/378410550.db2.gz MXOQZIGYCFFAQF-UHFFFAOYSA-N -1 3 280.686 3.140 20 0 CGADHM Cc1ccc([O-])c(NC(=O)[C@@H](C)CC2CCCC2)n1 ZINC000345925374 378411159 /nfs/dbraw/zinc/41/11/59/378411159.db2.gz JSCVNSVNPPHKBK-JTQLQIEISA-N -1 3 262.353 3.251 20 0 CGADHM Cc1oc(CN(C)CCCSCC(C)C)cc1C(=O)[O-] ZINC000584356199 378379993 /nfs/dbraw/zinc/37/99/93/378379993.db2.gz CSCWVVUQZORSGG-UHFFFAOYSA-N -1 3 299.436 3.497 20 0 CGADHM CCCc1csc([N-]C(=O)c2cc(C(C)C)no2)n1 ZINC000271030932 378433788 /nfs/dbraw/zinc/43/37/88/378433788.db2.gz ORAHNHUUFBGTDF-UHFFFAOYSA-N -1 3 279.365 3.459 20 0 CGADHM CC[C@@H]1CC[C@H](C)N1C(=O)c1c[n-]c2ccccc2c1=O ZINC000271395827 378491549 /nfs/dbraw/zinc/49/15/49/378491549.db2.gz LZIFYWSKDQJHTG-NWDGAFQWSA-N -1 3 284.359 3.344 20 0 CGADHM CCc1cc(=O)[n-]c(CN[C@H](c2ccccc2C)C2CC2)n1 ZINC000271997855 378541149 /nfs/dbraw/zinc/54/11/49/378541149.db2.gz HOYGKKCRVZSHQK-SFHVURJKSA-N -1 3 297.402 3.294 20 0 CGADHM O=C([N-]c1ccsc1)c1nc2cccnc2s1 ZINC000346421450 378574389 /nfs/dbraw/zinc/57/43/89/378574389.db2.gz ABTYMDJEUQASQG-UHFFFAOYSA-N -1 3 261.331 3.005 20 0 CGADHM COc1cc(C(=O)N2C[C@H](C)[C@@H]2c2ccccc2)ccc1[O-] ZINC000272627735 378679133 /nfs/dbraw/zinc/67/91/33/378679133.db2.gz TXBWCNBUGGRDBZ-YVEFUNNKSA-N -1 3 297.354 3.234 20 0 CGADHM CCC(CC)(CC)NC(=O)c1ccc([O-])c(OC)c1 ZINC000272631354 378679737 /nfs/dbraw/zinc/67/97/37/378679737.db2.gz UXUVITLFLSZEKY-UHFFFAOYSA-N -1 3 265.353 3.099 20 0 CGADHM CC[C@@H](C)[C@H](C)C(=O)N1CCCc2cccc([O-])c21 ZINC000272919759 378722398 /nfs/dbraw/zinc/72/23/98/378722398.db2.gz DZDPEFLJUJXHAB-NEPJUHHUSA-N -1 3 261.365 3.354 20 0 CGADHM CCCCOCC(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000274330391 378812454 /nfs/dbraw/zinc/81/24/54/378812454.db2.gz AGIRUVFJQUQRNX-GFCCVEGCSA-N -1 3 277.364 3.049 20 0 CGADHM Cc1ccnc(-c2noc(-c3ccc(C(C)C)cc3[O-])n2)n1 ZINC000278559076 194044228 /nfs/dbraw/zinc/04/42/28/194044228.db2.gz BJWATLJTUQYTOZ-UHFFFAOYSA-N -1 3 296.330 3.331 20 0 CGADHM CC[C@H]1CCC[C@H](NC(=O)c2ccc([O-])c(OC)c2)C1 ZINC000276927432 379023290 /nfs/dbraw/zinc/02/32/90/379023290.db2.gz NOSGFTZVWUTVHC-AAEUAGOBSA-N -1 3 277.364 3.099 20 0 CGADHM Cc1[nH]c2ccc(CNCc3nc(C)ccc3[O-])cc2c1C ZINC000348795939 379057253 /nfs/dbraw/zinc/05/72/53/379057253.db2.gz KDCNMNFEZRMTJR-UHFFFAOYSA-N -1 3 295.386 3.484 20 0 CGADHM CC[C@H]1CCC[C@H](CNCc2cc(C(=O)[O-])co2)C1 ZINC000277029013 379047797 /nfs/dbraw/zinc/04/77/97/379047797.db2.gz PMFFBLNHXVZJJL-RYUDHWBXSA-N -1 3 265.353 3.284 20 0 CGADHM CC(C)c1ccc(CN[C@@H](C(=O)[O-])c2ccc(O)cc2)cc1 ZINC000277454325 379162557 /nfs/dbraw/zinc/16/25/57/379162557.db2.gz VGWOJMDUBFMLJO-QGZVFWFLSA-N -1 3 299.370 3.431 20 0 CGADHM COc1cccc(CN[C@H](c2ccccc2)[C@H](C)C(=O)[O-])c1 ZINC000277463264 379164505 /nfs/dbraw/zinc/16/45/05/379164505.db2.gz VQLOJUUMHGDKPJ-GUYCJALGSA-N -1 3 299.370 3.247 20 0 CGADHM COc1ccccc1CN[C@@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000277345089 379138362 /nfs/dbraw/zinc/13/83/62/379138362.db2.gz PDCJTCVMCUJGMS-SUMWQHHRSA-N -1 3 299.370 3.247 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)N(C)C[C@@H](C)c2ccccc2)n1 ZINC000279530354 379453472 /nfs/dbraw/zinc/45/34/72/379453472.db2.gz RJSATKIKFTZLPG-TZMCWYRMSA-N -1 3 285.391 3.287 20 0 CGADHM CCOc1cc(-c2noc(-c3ccc(C)o3)n2)ccc1[O-] ZINC000350793676 379585587 /nfs/dbraw/zinc/58/55/87/379585587.db2.gz NLHQBEGODYUMKZ-UHFFFAOYSA-N -1 3 286.287 3.409 20 0 CGADHM C[C@@H](Cc1ccccc1C(F)(F)F)[N-]C(=O)C(F)F ZINC000280077873 379598062 /nfs/dbraw/zinc/59/80/62/379598062.db2.gz CHAFGANPBYBFBW-ZETCQYMHSA-N -1 3 281.224 3.018 20 0 CGADHM Cc1ccc(C(=O)N2CCC3(CCC3)CC2)c([O-])c1C ZINC000376435040 379555251 /nfs/dbraw/zinc/55/52/51/379555251.db2.gz MURHMMDCKWRVER-UHFFFAOYSA-N -1 3 273.376 3.415 20 0 CGADHM CCc1nc(C)c(-c2nc(-c3ccc([O-])cc3)no2)s1 ZINC000350593112 379568745 /nfs/dbraw/zinc/56/87/45/379568745.db2.gz ZXDSQXKYZBFECQ-UHFFFAOYSA-N -1 3 287.344 3.437 20 0 CGADHM CCc1ccc(-c2nc(-c3ccncc3OC)no2)c([O-])c1 ZINC000350614290 379575318 /nfs/dbraw/zinc/57/53/18/379575318.db2.gz RPRMIQAYOKLWIR-UHFFFAOYSA-N -1 3 297.314 3.075 20 0 CGADHM CC(C)(C)CCS(=O)(=O)[N-]c1ccc(F)cc1F ZINC000267157788 190307839 /nfs/dbraw/zinc/30/78/39/190307839.db2.gz PVADGOTUTWLFLR-UHFFFAOYSA-N -1 3 277.336 3.143 20 0 CGADHM CC[C@@H](C)Oc1cccc(NC([O-])=NOCCSC)c1 ZINC000280498401 379717787 /nfs/dbraw/zinc/71/77/87/379717787.db2.gz KSLMJOWWLBQBIY-LLVKDONJSA-N -1 3 298.408 3.280 20 0 CGADHM CC[C@@H](C)Oc1cccc(NC(=O)[N-]OCCSC)c1 ZINC000280498401 379717793 /nfs/dbraw/zinc/71/77/93/379717793.db2.gz KSLMJOWWLBQBIY-LLVKDONJSA-N -1 3 298.408 3.280 20 0 CGADHM CSCCON=C([O-])Nc1ccccc1C(F)(F)F ZINC000280614413 379746423 /nfs/dbraw/zinc/74/64/23/379746423.db2.gz VRYTZKFFFPAXGC-UHFFFAOYSA-N -1 3 294.298 3.122 20 0 CGADHM CSCCO[N-]C(=O)Nc1ccccc1C(F)(F)F ZINC000280614413 379746430 /nfs/dbraw/zinc/74/64/30/379746430.db2.gz VRYTZKFFFPAXGC-UHFFFAOYSA-N -1 3 294.298 3.122 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)c1cscc1Cl ZINC000640474330 379806182 /nfs/dbraw/zinc/80/61/82/379806182.db2.gz RBAPXWLYBKYSKZ-UHFFFAOYSA-N -1 3 283.784 3.231 20 0 CGADHM Cc1ccc(CCCCC(=O)NCc2ncccc2[O-])cc1 ZINC000352511193 379841238 /nfs/dbraw/zinc/84/12/38/379841238.db2.gz WZHGZGNTGQTMFF-UHFFFAOYSA-N -1 3 298.386 3.125 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)[C@H]2CC=CCC2)c1-c1cccc(F)c1 ZINC000640946373 379884343 /nfs/dbraw/zinc/88/43/43/379884343.db2.gz XCVIIFBSXDRWQB-LBPRGKRZSA-N -1 3 299.349 3.241 20 0 CGADHM O=C(CCCC(F)(F)F)N1CCCc2cccc([O-])c21 ZINC000352663685 379901239 /nfs/dbraw/zinc/90/12/39/379901239.db2.gz IVITURAEYMJMOB-UHFFFAOYSA-N -1 3 287.281 3.404 20 0 CGADHM [O-]c1cc(CNCC(F)(F)F)cc(C(F)(F)F)c1 ZINC000352838655 379994735 /nfs/dbraw/zinc/99/47/35/379994735.db2.gz GOIURAZOAQTFMR-UHFFFAOYSA-N -1 3 273.176 3.063 20 0 CGADHM CCN(CCC1CC1)Cc1c(F)ccc([O-])c1F ZINC000352951439 380053458 /nfs/dbraw/zinc/05/34/58/380053458.db2.gz NEEOJOQAMNTWQO-UHFFFAOYSA-N -1 3 255.308 3.292 20 0 CGADHM COc1cc(C(=O)N(Cc2ccccc2)C2CC2)ccc1[O-] ZINC000268108257 190377083 /nfs/dbraw/zinc/37/70/83/190377083.db2.gz YKOGFVCZXJGHLV-UHFFFAOYSA-N -1 3 297.354 3.206 20 0 CGADHM [O-]c1ccc(F)c(CNc2ccc(Cl)cn2)c1F ZINC000353080953 380105097 /nfs/dbraw/zinc/10/50/97/380105097.db2.gz DFWAYFKLVJIAGO-UHFFFAOYSA-N -1 3 270.666 3.331 20 0 CGADHM CCc1noc(C)c1[N-]C(=O)c1nc(C(C)C)oc1C ZINC000354271617 380381851 /nfs/dbraw/zinc/38/18/51/380381851.db2.gz LXFDJQMOLUPLHL-UHFFFAOYSA-N -1 3 277.324 3.218 20 0 CGADHM CCc1cc(C(=O)N[C@@H](C)c2ccccc2OC)ccc1[O-] ZINC000643901880 380393914 /nfs/dbraw/zinc/39/39/14/380393914.db2.gz SJSQSBBMUNSWKJ-LBPRGKRZSA-N -1 3 299.370 3.454 20 0 CGADHM CCc1cc(C(=O)N[C@@H]2C[C@@]2(C)c2ccccc2)ccc1[O-] ZINC000643999080 380406691 /nfs/dbraw/zinc/40/66/91/380406691.db2.gz ODAKSOJNHFKKJK-MJGOQNOKSA-N -1 3 295.382 3.415 20 0 CGADHM Cc1cc(C(=O)NC2(c3ccccc3)CC2)ccc1[O-] ZINC000499943520 291751835 /nfs/dbraw/zinc/75/18/35/291751835.db2.gz BUUCYAMJPRHTDS-UHFFFAOYSA-N -1 3 267.328 3.120 20 0 CGADHM O=C(Nc1ncccc1[O-])[C@@H]1CCC[C@@H]2CCCC[C@@H]12 ZINC000354612229 380503841 /nfs/dbraw/zinc/50/38/41/380503841.db2.gz KKMXVMYAHJMHDY-YNEHKIRRSA-N -1 3 274.364 3.332 20 0 CGADHM CCc1ccc([O-])c(C(=O)N[C@H]2CCCc3occc32)c1 ZINC000354745220 380546034 /nfs/dbraw/zinc/54/60/34/380546034.db2.gz FCVJYYNAOFLCMB-AWEZNQCLSA-N -1 3 285.343 3.355 20 0 CGADHM Cc1ccc(F)c(NCc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000416997103 380558787 /nfs/dbraw/zinc/55/87/87/380558787.db2.gz JVAYCMRZRYGUGY-UHFFFAOYSA-N -1 3 273.311 3.119 20 0 CGADHM Cc1cc(F)ccc1NCc1cc(=O)[n-]c(C2CC2)n1 ZINC000416991768 380558867 /nfs/dbraw/zinc/55/88/67/380558867.db2.gz CSBBYSKHBDNYGA-UHFFFAOYSA-N -1 3 273.311 3.119 20 0 CGADHM CCc1nc(CNCC2(CC(=O)[O-])CCCCC2)cs1 ZINC000417550131 380635243 /nfs/dbraw/zinc/63/52/43/380635243.db2.gz UNTAWOAARGTAGV-UHFFFAOYSA-N -1 3 296.436 3.220 20 0 CGADHM CCC[C@@H](C)C[C@H](NCc1cc(F)ccc1OC)C(=O)[O-] ZINC000417559145 380638031 /nfs/dbraw/zinc/63/80/31/380638031.db2.gz HLKLDPVQTYSSEN-RISCZKNCSA-N -1 3 297.370 3.203 20 0 CGADHM CCC[C@H](C)C[C@H](NCc1cc(F)ccc1OC)C(=O)[O-] ZINC000417559143 380638484 /nfs/dbraw/zinc/63/84/84/380638484.db2.gz HLKLDPVQTYSSEN-FZMZJTMJSA-N -1 3 297.370 3.203 20 0 CGADHM CC(C)CC[C@@](C)(O)CNCc1cccc([O-])c1Cl ZINC000645156709 380597812 /nfs/dbraw/zinc/59/78/12/380597812.db2.gz HMXFCMUMHVLVIA-OAHLLOKOSA-N -1 3 285.815 3.322 20 0 CGADHM [O-]c1cccc(CNCCC[C@@H]2CCCC[C@@H]2O)c1Cl ZINC000645166311 380599629 /nfs/dbraw/zinc/59/96/29/380599629.db2.gz SVFLFYFSOZJEEO-JSGCOSHPSA-N -1 3 297.826 3.467 20 0 CGADHM Cc1cc(Cl)cc(CN[C@@H](COC(C)(C)C)C(=O)[O-])c1 ZINC000417600950 380646506 /nfs/dbraw/zinc/64/65/06/380646506.db2.gz RHLLFFCNFZBSSJ-ZDUSSCGKSA-N -1 3 299.798 3.006 20 0 CGADHM Cc1cc(C)cc(CNC[C@@H](CC(=O)[O-])C(F)(F)F)c1 ZINC000417620795 380654842 /nfs/dbraw/zinc/65/48/42/380654842.db2.gz GPCSGELTLIHEHW-GFCCVEGCSA-N -1 3 289.297 3.046 20 0 CGADHM CC[C@@H](CCNCc1ccc(F)cc1Cl)C(=O)[O-] ZINC000417644421 380660737 /nfs/dbraw/zinc/66/07/37/380660737.db2.gz CBJVYWAPSWWPDN-VIFPVBQESA-N -1 3 273.735 3.070 20 0 CGADHM CC(C)[C@H]1CCN1C(=O)c1cc([O-])ccc1C(F)(F)F ZINC000356642908 380807982 /nfs/dbraw/zinc/80/79/82/380807982.db2.gz KSHZOAXWVMSULV-GFCCVEGCSA-N -1 3 287.281 3.282 20 0 CGADHM CCC(CC)c1nnc([N-]C(=O)c2cccnc2F)s1 ZINC000279232704 194344489 /nfs/dbraw/zinc/34/44/89/194344489.db2.gz QMOCFINJPFLEIN-UHFFFAOYSA-N -1 3 294.355 3.228 20 0 CGADHM [O-]c1ccc(F)c(CNC[C@@H]2CC23CCSCC3)c1F ZINC000421385529 380928915 /nfs/dbraw/zinc/92/89/15/380928915.db2.gz QALGYFDDBVXRHV-JTQLQIEISA-N -1 3 299.386 3.293 20 0 CGADHM CCN(CCc1ccccc1)C(=O)c1cccc([O-])c1 ZINC000357181338 381055973 /nfs/dbraw/zinc/05/59/73/381055973.db2.gz DJTUDBABCVMPCO-UHFFFAOYSA-N -1 3 269.344 3.097 20 0 CGADHM C[C@H]1CCCC[C@H]1CCNC(=O)c1cccc([O-])c1 ZINC000357303843 381099217 /nfs/dbraw/zinc/09/92/17/381099217.db2.gz HTCOVXOVOGOYPM-STQMWFEESA-N -1 3 261.365 3.338 20 0 CGADHM CCO[C@H]1C[C@@H](NC(=O)c2cccc([O-])c2)C1(CC)CC ZINC000357307248 381100012 /nfs/dbraw/zinc/10/00/12/381100012.db2.gz OVHKCUXMJDHWNT-CABCVRRESA-N -1 3 291.391 3.106 20 0 CGADHM CC(C)=CC[N-]S(=O)(=O)c1oc2ccc(F)cc2c1C ZINC000360030109 381418370 /nfs/dbraw/zinc/41/83/70/381418370.db2.gz UJEOJHSQXAREEP-UHFFFAOYSA-N -1 3 297.351 3.125 20 0 CGADHM C[C@@H]1CC[C@]2(CCN(C(=O)c3ccccc3[O-])C2)C1 ZINC000360679791 381614994 /nfs/dbraw/zinc/61/49/94/381614994.db2.gz ICFFUYVJJXKPRO-WBMJQRKESA-N -1 3 259.349 3.045 20 0 CGADHM COc1ccc([O-])c(C(=O)N2CC[C@]3(CC[C@@H](C)C3)C2)c1 ZINC000360680567 381616217 /nfs/dbraw/zinc/61/62/17/381616217.db2.gz MHMLUQKTMDYSHI-PXAZEXFGSA-N -1 3 289.375 3.053 20 0 CGADHM CCCN(CC)C(=O)c1c[n-]c2c(C)cc(C)cc2c1=O ZINC000361387117 381726407 /nfs/dbraw/zinc/72/64/07/381726407.db2.gz SWUASNRWIBVQID-UHFFFAOYSA-N -1 3 286.375 3.017 20 0 CGADHM C[C@H](CC(=O)[O-])NCc1ccc(-c2ccccc2F)o1 ZINC000362344788 381950296 /nfs/dbraw/zinc/95/02/96/381950296.db2.gz AMZKPJIURQZYNP-SNVBAGLBSA-N -1 3 277.295 3.039 20 0 CGADHM Cc1ccc2c(c1)[C@H](NCc1cc([O-])cc(F)c1)CO2 ZINC000364192607 382264113 /nfs/dbraw/zinc/26/41/13/382264113.db2.gz ZYYAZXVKSOUWKL-OAHLLOKOSA-N -1 3 273.307 3.063 20 0 CGADHM Cc1nsc([N-]C(=O)c2cc(C3CC3)cnc2Cl)n1 ZINC000280068900 194690624 /nfs/dbraw/zinc/69/06/24/194690624.db2.gz IQKQTRKWUSNEDA-UHFFFAOYSA-N -1 3 294.767 3.025 20 0 CGADHM CSc1ccc(CN[C@H](C(=O)[O-])c2ccsc2)cc1 ZINC000426833860 532959712 /nfs/dbraw/zinc/95/97/12/532959712.db2.gz NFAUZEZEIZGPEK-ZDUSSCGKSA-N -1 3 293.413 3.386 20 0 CGADHM CC(C)c1nnc(NCc2c(F)ccc([O-])c2F)s1 ZINC000280974380 195052921 /nfs/dbraw/zinc/05/29/21/195052921.db2.gz KTKFNICNDIBHRT-UHFFFAOYSA-N -1 3 285.319 3.257 20 0 CGADHM [O-]c1ccc(F)c(CNCCC2=CCCC2)c1F ZINC000281049314 195082509 /nfs/dbraw/zinc/08/25/09/195082509.db2.gz QRAAPFTUHGYLQT-UHFFFAOYSA-N -1 3 253.292 3.260 20 0 CGADHM CC(=O)c1ccccc1[N-]S(=O)(=O)C1=CCCCC1 ZINC000281091702 195100556 /nfs/dbraw/zinc/10/05/56/195100556.db2.gz DXNDBEZYBBXOER-UHFFFAOYSA-N -1 3 279.361 3.089 20 0 CGADHM CC[C@H]1CN(C(=O)c2cc([O-])c3ccccc3c2)C[C@@H](C)O1 ZINC000281018171 542382692 /nfs/dbraw/zinc/38/26/92/542382692.db2.gz VPJRVNCRXKAGPH-DOMZBBRYSA-N -1 3 299.370 3.185 20 0 CGADHM C[C@@H]1[C@@H](C)CCN1C(=O)c1cc([O-])c2ccccc2c1 ZINC000280155438 542380879 /nfs/dbraw/zinc/38/08/79/542380879.db2.gz BNYIHCUOBLSBSI-NWDGAFQWSA-N -1 3 269.344 3.416 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)C[C@H]2CCC(=O)[C@@H]2C)c1[O-] ZINC000281283164 195179953 /nfs/dbraw/zinc/17/99/53/195179953.db2.gz SCKXXMHOVHRGDU-NXEZZACHSA-N -1 3 295.766 3.298 20 0 CGADHM Cc1ccc2c(c1)CC[C@H](C(=O)Nc1c(C)cccc1[O-])O2 ZINC000281283182 195180115 /nfs/dbraw/zinc/18/01/15/195180115.db2.gz SCQJGPQMKDNECK-MRXNPFEDSA-N -1 3 297.354 3.341 20 0 CGADHM COc1ccc([O-])c(-c2nc([C@H]3CCC(F)(F)C3)no2)c1 ZINC000281355615 195208276 /nfs/dbraw/zinc/20/82/76/195208276.db2.gz KXVSTSGKONXWQF-QMMMGPOBSA-N -1 3 296.273 3.354 20 0 CGADHM O=C(c1csc(=O)[n-]1)N1CCCC[C@@H]1c1ccccc1 ZINC000336050339 542473989 /nfs/dbraw/zinc/47/39/89/542473989.db2.gz DCNANIBUXRPEHX-CYBMUJFWSA-N -1 3 288.372 3.216 20 0 CGADHM CCN1CCN(C(=O)c2cccc(C)c2[O-])c2ccccc21 ZINC000171892706 285309976 /nfs/dbraw/zinc/30/99/76/285309976.db2.gz NUVTYZJRFOYXTJ-UHFFFAOYSA-N -1 3 296.370 3.187 20 0 CGADHM COc1ccc(NC(=O)c2cc([O-])c3ccccc3c2)cn1 ZINC000349297537 542525027 /nfs/dbraw/zinc/52/50/27/542525027.db2.gz JLFWCGVHMXSVHW-UHFFFAOYSA-N -1 3 294.310 3.201 20 0 CGADHM c1cc(-c2noc([C@@H]3C[C@@H]4C=C[C@H]3CC4)n2)cc2n[n-]nc12 ZINC000351457309 542548763 /nfs/dbraw/zinc/54/87/63/542548763.db2.gz JKKSSSKNXSXGFE-JFGNBEQYSA-N -1 3 293.330 3.078 20 0 CGADHM COc1ccnc(NC(=O)c2cc([O-])c3ccccc3c2)c1 ZINC000355361908 542566718 /nfs/dbraw/zinc/56/67/18/542566718.db2.gz BBVFKHUXFAYAML-UHFFFAOYSA-N -1 3 294.310 3.201 20 0 CGADHM O=C(N[C@@H]1C[C@H]1C1CC1)c1cc([O-])c2ccccc2c1 ZINC000356359010 542571588 /nfs/dbraw/zinc/57/15/88/542571588.db2.gz ZPROMIAQRVMGRT-LSDHHAIUSA-N -1 3 267.328 3.074 20 0 CGADHM O=c1[n-]c(-c2ccon2)nc2cc(Cl)c(Cl)cc12 ZINC000362341782 285399389 /nfs/dbraw/zinc/39/93/89/285399389.db2.gz XRSKDNBMVYGCOL-UHFFFAOYSA-N -1 3 282.086 3.297 20 0 CGADHM COc1ccc(C)cc1CN[C@@H](C(=O)[O-])c1ccc(C)cc1 ZINC000426709686 533388087 /nfs/dbraw/zinc/38/80/87/533388087.db2.gz DXCYJNUKRHQCMU-QGZVFWFLSA-N -1 3 299.370 3.228 20 0 CGADHM COc1ccc(C(=O)N[C@H]2C[C@@H]2C2CCCCC2)c([O-])c1 ZINC000436930800 533345706 /nfs/dbraw/zinc/34/57/06/533345706.db2.gz IODVBVKNBCXBFU-CABCVRRESA-N -1 3 289.375 3.099 20 0 CGADHM COc1cccc(C(=O)N[C@@H]2CC[C@H]3CCC[C@H]3C2)c1[O-] ZINC000436563579 533415183 /nfs/dbraw/zinc/41/51/83/533415183.db2.gz HTAYNQMWDCEOEF-FRRDWIJNSA-N -1 3 289.375 3.099 20 0 CGADHM Cc1cccc(CN2CCC(CCC(=O)[O-])CC2)c1F ZINC000384659026 542601897 /nfs/dbraw/zinc/60/18/97/542601897.db2.gz OHGXXVVCYURLLK-UHFFFAOYSA-N -1 3 279.355 3.211 20 0 CGADHM Cc1cc(Cl)ccc1CN1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC000388687909 542605438 /nfs/dbraw/zinc/60/54/38/542605438.db2.gz RQJPURDENJJTLP-FZMZJTMJSA-N -1 3 281.783 3.191 20 0 CGADHM CCC(CC)CN(CC)C(=O)c1ccc(OC)cc1[O-] ZINC000047910603 391990062 /nfs/dbraw/zinc/99/00/62/391990062.db2.gz QICAPVBXUTVRQG-UHFFFAOYSA-N -1 3 279.380 3.299 20 0 CGADHM Cc1ccc(C(=O)NC[C@H](C)c2ccccc2)c([O-])c1 ZINC000048390846 391999005 /nfs/dbraw/zinc/99/90/05/391999005.db2.gz PXBORZGFBYERIY-ZDUSSCGKSA-N -1 3 269.344 3.234 20 0 CGADHM Cc1ccc([O-])c(C(=O)N[C@@H](C)Cc2ccsc2)c1 ZINC000048482134 392001629 /nfs/dbraw/zinc/00/16/29/392001629.db2.gz SWCDGUIEQAAKCW-NSHDSACASA-N -1 3 275.373 3.123 20 0 CGADHM O=C(Nc1cnc2ccccc2c1)c1cccc([O-])c1 ZINC000051770559 392074725 /nfs/dbraw/zinc/07/47/25/392074725.db2.gz UJBVQJIBHFSHJB-UHFFFAOYSA-N -1 3 264.284 3.193 20 0 CGADHM COc1ccc([O-])c(C(=O)N[C@H](C)c2ccccc2C)c1 ZINC000049931997 392060801 /nfs/dbraw/zinc/06/08/01/392060801.db2.gz ASWPYVNLJXFVIO-GFCCVEGCSA-N -1 3 285.343 3.200 20 0 CGADHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000060950815 392124077 /nfs/dbraw/zinc/12/40/77/392124077.db2.gz COPCQNVMQNTQIW-ZETCQYMHSA-N -1 3 294.203 3.070 20 0 CGADHM CCc1ccc(C(=O)Nc2ccc(OC)cc2[O-])cc1 ZINC000443559510 542667420 /nfs/dbraw/zinc/66/74/20/542667420.db2.gz OGZZCFYLGCADMS-UHFFFAOYSA-N -1 3 271.316 3.216 20 0 CGADHM COc1ccc(NC(=O)c2ccc(Cl)cc2)c([O-])c1 ZINC000443567665 542666614 /nfs/dbraw/zinc/66/66/14/542666614.db2.gz PVYOPWFSOMUKQP-UHFFFAOYSA-N -1 3 277.707 3.307 20 0 CGADHM CC[C@H](C)[C@H](C)C(=O)Nc1ccc(OC)cc1[O-] ZINC000443565919 542666636 /nfs/dbraw/zinc/66/66/36/542666636.db2.gz JOZCGKOLXQRVGS-UWVGGRQHSA-N -1 3 251.326 3.022 20 0 CGADHM COc1ccc(NC(=O)C[C@@H]2CCC[C@H]2C)c([O-])c1 ZINC000443560069 542666819 /nfs/dbraw/zinc/66/68/19/542666819.db2.gz OTHQCAVUOUOQRP-MNOVXSKESA-N -1 3 263.337 3.166 20 0 CGADHM Cc1cc(C)c2c(=O)[n-]c(SCCC3CC3)nc2n1 ZINC000437605920 542659934 /nfs/dbraw/zinc/65/99/34/542659934.db2.gz MPGRMWKHSNHALH-UHFFFAOYSA-N -1 3 275.377 3.239 20 0 CGADHM O=C([O-])[C@@]12CCC[C@H]1CN(Cc1cccc(Cl)c1F)C2 ZINC000263576572 131299443 /nfs/dbraw/zinc/29/94/43/131299443.db2.gz QPCIPNSSLDMSIO-XHDPSFHLSA-N -1 3 297.757 3.166 20 0 CGADHM C[C@H]1OCCC[C@@H]1C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000330393867 392693189 /nfs/dbraw/zinc/69/31/89/392693189.db2.gz CQURWSKZUHQEDG-YPMHNXCESA-N -1 3 291.391 3.443 20 0 CGADHM CCc1ccc(CN(C)Cc2nc(C)ccc2[O-])cc1 ZINC000505596321 392678527 /nfs/dbraw/zinc/67/85/27/392678527.db2.gz JNRUBODNQAWYAU-UHFFFAOYSA-N -1 3 270.376 3.290 20 0 CGADHM COCC1(C(=O)Nc2cc(Cl)ccc2[O-])CCCC1 ZINC000457667319 392727092 /nfs/dbraw/zinc/72/70/92/392727092.db2.gz RCABXUVVSKHRNO-UHFFFAOYSA-N -1 3 283.755 3.191 20 0 CGADHM CC(C)(C)c1ncc(CN2CCC(C)(C(=O)[O-])CC2)s1 ZINC000647464353 392728846 /nfs/dbraw/zinc/72/88/46/392728846.db2.gz LDIMWDASPGNZCV-UHFFFAOYSA-N -1 3 296.436 3.127 20 0 CGADHM CC(C)[C@@H]1CCC[C@H](NC(=O)c2cccc([O-])c2)C1 ZINC000509301422 392743360 /nfs/dbraw/zinc/74/33/60/392743360.db2.gz QBNUYVHOSXZMPM-OCCSQVGLSA-N -1 3 261.365 3.337 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CC[C@H](C)C[C@@H](C)C2)c1 ZINC000506237597 392716729 /nfs/dbraw/zinc/71/67/29/392716729.db2.gz FOOMBFBZSTUWBV-QWHCGFSZSA-N -1 3 275.392 3.463 20 0 CGADHM COCC1(C(=O)Nc2ccc(Cl)cc2[O-])CCCC1 ZINC000457654492 392720448 /nfs/dbraw/zinc/72/04/48/392720448.db2.gz BKFNPBSDIZDDML-UHFFFAOYSA-N -1 3 283.755 3.191 20 0 CGADHM CC[C@@H]1CCC[C@@H]1C(=O)Nc1cccc([O-])c1F ZINC000336186417 392838868 /nfs/dbraw/zinc/83/88/68/392838868.db2.gz UHGKWFBBYWOWPZ-ZJUUUORDSA-N -1 3 251.301 3.296 20 0 CGADHM C[C@H]1CCN(C(=O)c2ccnc(F)c2)c2c([O-])cccc21 ZINC000186339150 392782165 /nfs/dbraw/zinc/78/21/65/392782165.db2.gz CGWCTDQGEMFCTQ-JTQLQIEISA-N -1 3 286.306 3.080 20 0 CGADHM C[C@H]1CCN(C(=O)[C@H]2CCCOCC2)c2c([O-])cccc21 ZINC000335200576 392783149 /nfs/dbraw/zinc/78/31/49/392783149.db2.gz WMAPXZCQDKWOOJ-STQMWFEESA-N -1 3 289.375 3.049 20 0 CGADHM CCc1ccc(CC(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)cc1 ZINC000647802082 392803891 /nfs/dbraw/zinc/80/38/91/392803891.db2.gz FJRMCCSRZCMRQZ-UHFFFAOYSA-N -1 3 295.342 3.012 20 0 CGADHM Cc1ccc([O-])c(C(=O)NCc2c(F)cc(F)cc2F)c1 ZINC000511056149 392826471 /nfs/dbraw/zinc/82/64/71/392826471.db2.gz JBJMZWVKWIVCHR-UHFFFAOYSA-N -1 3 295.260 3.048 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)N2Cc3ccccc3C3(CC3)C2)n1 ZINC000192792323 392860567 /nfs/dbraw/zinc/86/05/67/392860567.db2.gz KIVAOSDNEWJIIW-CYBMUJFWSA-N -1 3 295.386 3.099 20 0 CGADHM CCC[C@H](C)C(=O)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000467720346 393109250 /nfs/dbraw/zinc/10/92/50/393109250.db2.gz MPYKURNNGZSDSP-VIFPVBQESA-N -1 3 293.317 3.152 20 0 CGADHM CC(C)(C)n1cc(C(=O)Nc2ccc([O-])cc2Cl)cn1 ZINC000616941942 393215456 /nfs/dbraw/zinc/21/54/56/393215456.db2.gz KFLZGCVVOINAQH-UHFFFAOYSA-N -1 3 293.754 3.249 20 0 CGADHM CC[C@H](c1ccccc1)N(CC)C(=O)c1csc(=O)[n-]1 ZINC000471960586 393322546 /nfs/dbraw/zinc/32/25/46/393322546.db2.gz JHJYBUGQDULTND-CYBMUJFWSA-N -1 3 290.388 3.462 20 0 CGADHM O=C(Nc1cccc2[nH]ccc21)c1ccc2[nH][n-]c(=O)c2c1 ZINC000646792666 393324251 /nfs/dbraw/zinc/32/42/51/393324251.db2.gz ULIUDSYYEDOAAV-UHFFFAOYSA-N -1 3 292.298 3.002 20 0 CGADHM CC[C@@H]1CCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000646902350 393328081 /nfs/dbraw/zinc/32/80/81/393328081.db2.gz CIFPEGFJGCWASH-SECBINFHSA-N -1 3 287.281 3.283 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@H]1CCCC[C@H]1C ZINC000649228240 393376226 /nfs/dbraw/zinc/37/62/26/393376226.db2.gz FTUSEIMSCGMRJZ-PWSUYJOCSA-N -1 3 263.385 3.028 20 0 CGADHM CSc1cccc(C(=O)N=c2[nH][n-]c(C(C)C)c2C)c1 ZINC000649229079 393376331 /nfs/dbraw/zinc/37/63/31/393376331.db2.gz MBYOHTZNZJMBAX-UHFFFAOYSA-N -1 3 289.404 3.238 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)c1ccc(C)c2c1CCC2 ZINC000649229196 393378089 /nfs/dbraw/zinc/37/80/89/393378089.db2.gz QMGMUWVQHWZJDL-UHFFFAOYSA-N -1 3 297.402 3.313 20 0 CGADHM O=S(=O)([N-][C@@H]1CC[C@H]2CCC[C@H]2C1)c1ccccc1F ZINC000360889691 393608068 /nfs/dbraw/zinc/60/80/68/393608068.db2.gz UQXXXADIERALRG-FRRDWIJNSA-N -1 3 297.395 3.073 20 0 CGADHM C[C@@H](CC(=O)Nc1ccc([O-])cc1F)c1cccnc1 ZINC000360855773 393599195 /nfs/dbraw/zinc/59/91/95/393599195.db2.gz WZFWRTIEAXMWBQ-JTQLQIEISA-N -1 3 274.295 3.059 20 0 CGADHM Cc1cccc([O-])c1NC(=O)COC/C=C\c1ccccc1 ZINC000490759516 393654168 /nfs/dbraw/zinc/65/41/68/393654168.db2.gz RWIUARBNNHIYNS-POHAHGRESA-N -1 3 297.354 3.369 20 0 CGADHM Cc1ccncc1/C=C/C(=O)Nc1ccc(Cl)cc1[O-] ZINC000492466721 393739939 /nfs/dbraw/zinc/73/99/39/393739939.db2.gz XTMOEIHUNVGJJQ-GORDUTHDSA-N -1 3 288.734 3.401 20 0 CGADHM Cc1ccc(/C=C\C(=O)Nc2ccc([O-])cc2F)o1 ZINC000492489585 393743279 /nfs/dbraw/zinc/74/32/79/393743279.db2.gz MCHCPSOCNLRKJT-ALCCZGGFSA-N -1 3 261.252 3.085 20 0 CGADHM COc1cc(C(=O)N2CC(C)(C)CC(C)(C)C2)ccc1[O-] ZINC000443115752 393745058 /nfs/dbraw/zinc/74/50/58/393745058.db2.gz ZAOOWVHEHSVSFA-UHFFFAOYSA-N -1 3 291.391 3.299 20 0 CGADHM CC(C)c1csc(NC(=O)/C=C\c2cncc([O-])c2)n1 ZINC000492517179 393747436 /nfs/dbraw/zinc/74/74/36/393747436.db2.gz DOPDZHHUBFWLDV-ARJAWSKDSA-N -1 3 289.360 3.019 20 0 CGADHM Cc1cccc(C(=O)N[C@H](CC(F)(F)F)C(C)C)c1[O-] ZINC000438604222 393727206 /nfs/dbraw/zinc/72/72/06/393727206.db2.gz CZYDNVJUOLNFEK-LLVKDONJSA-N -1 3 289.297 3.407 20 0 CGADHM Cc1cc(C(=O)NC(C)(C)c2cccs2)ccc1[O-] ZINC000500605801 393833806 /nfs/dbraw/zinc/83/38/06/393833806.db2.gz IKVLCFRTYQFXHC-UHFFFAOYSA-N -1 3 275.373 3.427 20 0 CGADHM Cc1cc(C(=O)N[C@H]2C[C@H]2Cc2ccccc2)ccc1[O-] ZINC000500603668 393834362 /nfs/dbraw/zinc/83/43/62/393834362.db2.gz DESSBBJPCJDFSN-CVEARBPZSA-N -1 3 281.355 3.062 20 0 CGADHM Cc1cc(C(=O)N[C@H](Cc2ccccc2)C2CC2)ccc1[O-] ZINC000498529531 393782902 /nfs/dbraw/zinc/78/29/02/393782902.db2.gz NIWUDNHBOHTLOF-QGZVFWFLSA-N -1 3 295.382 3.452 20 0 CGADHM CCCn1c(=O)[n-]nc1SCc1ccccc1CC ZINC000445566860 393807288 /nfs/dbraw/zinc/80/72/88/393807288.db2.gz OFQYENOADGBZEZ-UHFFFAOYSA-N -1 3 277.393 3.248 20 0 CGADHM CC[C@@H]1CCC[C@H]1C(=O)Nc1cc(F)ccc1[O-] ZINC000450040314 393968088 /nfs/dbraw/zinc/96/80/88/393968088.db2.gz FROMZJQAJBSIFC-MWLCHTKSSA-N -1 3 251.301 3.296 20 0 CGADHM CC(C)CCCC(=O)N1CCCc2cccc([O-])c21 ZINC000450513160 394009252 /nfs/dbraw/zinc/00/92/52/394009252.db2.gz VSLDBRJJMSIZRR-UHFFFAOYSA-N -1 3 261.365 3.498 20 0 CGADHM CC[C@@H]1CCC[C@@H]1CNC(=O)c1c[n-]c2ccccc2c1=O ZINC000452521459 394077282 /nfs/dbraw/zinc/07/72/82/394077282.db2.gz RTJFWCJZXOHTPG-CHWSQXEVSA-N -1 3 298.386 3.084 20 0 CGADHM Cc1ccc(C(=O)N2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@@]3(C)C2)c([O-])c1 ZINC000456983698 394305494 /nfs/dbraw/zinc/30/54/94/394305494.db2.gz ODUHGOZDNLDHNC-ZFHGCVPZSA-N -1 3 285.387 3.209 20 0 CGADHM COC(C)(C)C[C@H](C)NC(=O)c1cc(SC)ccc1[O-] ZINC000669216608 543093854 /nfs/dbraw/zinc/09/38/54/543093854.db2.gz XFVGGFADJPLESY-JTQLQIEISA-N -1 3 297.420 3.048 20 0 CGADHM C[C@@H](OCC1CC1)C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000669746812 543123940 /nfs/dbraw/zinc/12/39/40/543123940.db2.gz AJRSGFBGASTSMA-LLVKDONJSA-N -1 3 291.391 3.443 20 0 CGADHM CCc1ccc(C(=O)N2CCC3(CCC3)CC2)c([O-])c1 ZINC000672256020 543206629 /nfs/dbraw/zinc/20/66/29/543206629.db2.gz SSHUIUAUOUMXRX-UHFFFAOYSA-N -1 3 273.376 3.361 20 0 CGADHM CC1(C)CC[C@H]1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000672506348 543215981 /nfs/dbraw/zinc/21/59/81/543215981.db2.gz PAPBAQFHHGJRJH-OAHLLOKOSA-N -1 3 269.344 3.464 20 0 CGADHM Cc1noc(C(F)F)c1C(=O)[N-]c1ccc(F)cc1F ZINC000673630096 543248627 /nfs/dbraw/zinc/24/86/27/543248627.db2.gz JFLXYVACWPWLPE-UHFFFAOYSA-N -1 3 288.200 3.451 20 0 CGADHM Cc1noc(C(F)F)c1C(=O)[N-]c1ccccc1F ZINC000673629496 543248668 /nfs/dbraw/zinc/24/86/68/543248668.db2.gz LQYVKBKMUUDESH-UHFFFAOYSA-N -1 3 270.210 3.312 20 0 CGADHM CCc1ccccc1OCC(=O)Nc1ccc(C)cc1[O-] ZINC000042236522 397613094 /nfs/dbraw/zinc/61/30/94/397613094.db2.gz KTSLGNFSQZCAEP-UHFFFAOYSA-N -1 3 285.343 3.281 20 0 CGADHM CSc1ccncc1[N-]C(=O)c1cc(F)c(F)c(F)c1 ZINC000674257983 543277736 /nfs/dbraw/zinc/27/77/36/543277736.db2.gz DRFDFLBZCPARCC-UHFFFAOYSA-N -1 3 298.289 3.473 20 0 CGADHM CC[C@H](C(=O)[O-])N(C)Cc1c(Cl)ccc2cccnc21 ZINC000650517101 397862041 /nfs/dbraw/zinc/86/20/41/397862041.db2.gz XOALRYQZKCRACP-CYBMUJFWSA-N -1 3 292.766 3.183 20 0 CGADHM Cc1cnc([N-]C(=O)c2cc(-c3ccccc3F)on2)o1 ZINC000674748985 543295191 /nfs/dbraw/zinc/29/51/91/543295191.db2.gz DQJACQMQJREGIW-UHFFFAOYSA-N -1 3 287.250 3.029 20 0 CGADHM CSc1ccncc1[N-]C(=O)c1nc(C)sc1C ZINC000676900955 543423130 /nfs/dbraw/zinc/42/31/30/543423130.db2.gz OJRIFLMOSOOTJG-UHFFFAOYSA-N -1 3 279.390 3.129 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2c3ccccc3C[C@H]2C)c1 ZINC000019838817 292163948 /nfs/dbraw/zinc/16/39/48/292163948.db2.gz OTXDVYSCOJILRV-GFCCVEGCSA-N -1 3 267.328 3.292 20 0 CGADHM Cc1ccc([O-])c(NC(=O)[C@H]2CC23CCCCC3)n1 ZINC000345930201 292165477 /nfs/dbraw/zinc/16/54/77/292165477.db2.gz OVQMEKCPJUYVPW-LLVKDONJSA-N -1 3 260.337 3.005 20 0 CGADHM Cc1ccc(C)c2sc([N-]C(=O)c3cnco3)nc21 ZINC000677544407 543454319 /nfs/dbraw/zinc/45/43/19/543454319.db2.gz XJBQOZJKZRNWRB-UHFFFAOYSA-N -1 3 273.317 3.153 20 0 CGADHM Cc1ccc([O-])c(CN2CC[C@@H]2c2cccc(F)c2)n1 ZINC000678283732 543511651 /nfs/dbraw/zinc/51/16/51/543511651.db2.gz QLRRXLDAFCLORP-OAHLLOKOSA-N -1 3 272.323 3.182 20 0 CGADHM CCc1cccc(C(=O)Nc2cc(CO)ccc2C)c1[O-] ZINC000678318621 543514504 /nfs/dbraw/zinc/51/45/04/543514504.db2.gz BDLKRGODWFSFNN-UHFFFAOYSA-N -1 3 285.343 3.008 20 0 CGADHM Cc1ccc2c(c1)CC[C@H]2NCc1ccc(C(=O)[O-])cc1 ZINC000263416198 292320728 /nfs/dbraw/zinc/32/07/28/292320728.db2.gz NGWYOGZMFFCBSW-QGZVFWFLSA-N -1 3 281.355 3.470 20 0 CGADHM O=C(NCCc1ccc(Cl)cc1)c1cccc([O-])c1 ZINC000042258719 286893670 /nfs/dbraw/zinc/89/36/70/286893670.db2.gz ZYQJTICAFBHNOM-UHFFFAOYSA-N -1 3 275.735 3.018 20 0 CGADHM CC[C@H](NC(=O)c1cccc(OC)c1[O-])c1ccccc1 ZINC000055463789 286945320 /nfs/dbraw/zinc/94/53/20/286945320.db2.gz AHSNTMASPXHXIE-AWEZNQCLSA-N -1 3 285.343 3.282 20 0 CGADHM Cc1ccc([O-])c(-c2nc([C@@H]3Cc4ccccc43)no2)c1 ZINC000086492398 287083018 /nfs/dbraw/zinc/08/30/18/287083018.db2.gz TYQFRSTUEPLPDX-CYBMUJFWSA-N -1 3 278.311 3.439 20 0 CGADHM CN(C)c1ccc(C(=O)Nc2cc(Cl)ccc2[O-])cc1 ZINC000069692998 165055600 /nfs/dbraw/zinc/05/56/00/165055600.db2.gz WGFDVXQVLVCENP-UHFFFAOYSA-N -1 3 290.750 3.364 20 0 CGADHM O=C(COc1cccc(Cl)c1)Nc1ccc([O-])cc1F ZINC000070333276 165057823 /nfs/dbraw/zinc/05/78/23/165057823.db2.gz JSXRNNSFNDFUMD-UHFFFAOYSA-N -1 3 295.697 3.202 20 0 CGADHM Cc1ccc(C(=O)Nc2n[n-]c(-c3ccccc3F)n2)cc1 ZINC000076687082 165116713 /nfs/dbraw/zinc/11/67/13/165116713.db2.gz SLEQNTHDHTZBIH-UHFFFAOYSA-N -1 3 296.305 3.172 20 0 CGADHM O=C(Nc1ccccc1[O-])c1cc2ccccc2[nH]1 ZINC000082264241 165168845 /nfs/dbraw/zinc/16/88/45/165168845.db2.gz QWQAGQUZFCQXHR-UHFFFAOYSA-N -1 3 252.273 3.126 20 0 CGADHM Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)c1cc(C)ccc1[O-] ZINC000091080889 165255659 /nfs/dbraw/zinc/25/56/59/165255659.db2.gz ARPQGZVVWAQKNX-AWEZNQCLSA-N -1 3 299.374 3.018 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CCC[C@H]3CCC[C@H]32)c1 ZINC000091682096 287109357 /nfs/dbraw/zinc/10/93/57/287109357.db2.gz RHCBTYIYWQEXMB-UKRRQHHQSA-N -1 3 273.376 3.359 20 0 CGADHM COc1ccc(-c2noc(-c3cc(C)ccc3[O-])n2)cc1 ZINC000109037260 287127612 /nfs/dbraw/zinc/12/76/12/287127612.db2.gz OMRGLECQZNPVNM-UHFFFAOYSA-N -1 3 282.299 3.426 20 0 CGADHM Cc1ccc(NC(=O)[C@H](C)c2ccccc2)c([O-])c1 ZINC000119097940 287164940 /nfs/dbraw/zinc/16/49/40/287164940.db2.gz PHBWOWTXNWKNGS-GFCCVEGCSA-N -1 3 255.317 3.443 20 0 CGADHM COc1cccc(C(=O)Nc2ccccc2SC)c1[O-] ZINC000121260626 287195473 /nfs/dbraw/zinc/19/54/73/287195473.db2.gz FDQXZRSYSSSVIT-UHFFFAOYSA-N -1 3 289.356 3.375 20 0 CGADHM Cc1cccc(C(=O)NCc2cc3ccccc3[nH]2)c1[O-] ZINC000124130110 287229794 /nfs/dbraw/zinc/22/97/94/287229794.db2.gz AKFGJOGCTYCNCF-UHFFFAOYSA-N -1 3 280.327 3.112 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2F)cc1C ZINC000006316437 170190584 /nfs/dbraw/zinc/19/05/84/170190584.db2.gz OISCBRLQUMTRNJ-UHFFFAOYSA-N -1 3 297.326 3.382 20 0 CGADHM CCN(Cc1ccc(OC)cc1)C(=O)c1cc(C)ccc1[O-] ZINC000124519761 287234508 /nfs/dbraw/zinc/23/45/08/287234508.db2.gz DQERSVNEHVKLKL-UHFFFAOYSA-N -1 3 299.370 3.372 20 0 CGADHM CC(C)(C)C[C@@H](CC(=O)[O-])NCc1cc(F)ccc1F ZINC000284378172 196042425 /nfs/dbraw/zinc/04/24/25/196042425.db2.gz YBCDKBVKHDLOCX-GFCCVEGCSA-N -1 3 285.334 3.334 20 0 CGADHM Cc1ccc(NC(=O)[C@@H]2Cc3ccccc3S2)c([O-])c1 ZINC000010123584 170397959 /nfs/dbraw/zinc/39/79/59/170397959.db2.gz NFMMPBXUXRBWFM-HNNXBMFYSA-N -1 3 285.368 3.356 20 0 CGADHM Cc1ccc(CN(C)C(=O)c2cccc(C)c2[O-])cc1 ZINC000020264810 171121499 /nfs/dbraw/zinc/12/14/99/171121499.db2.gz GXBVJKWPIQKCLS-UHFFFAOYSA-N -1 3 269.344 3.281 20 0 CGADHM COc1cccc(C(=O)Nc2ccc(C)cc2F)c1[O-] ZINC000020363072 171162121 /nfs/dbraw/zinc/16/21/21/171162121.db2.gz GXJCXEDAGUDSFT-UHFFFAOYSA-N -1 3 275.279 3.101 20 0 CGADHM CC(C)Cc1cccc([C@H](C)C(=O)[N-]C2=NCCS2)c1 ZINC000285070659 196189898 /nfs/dbraw/zinc/18/98/98/196189898.db2.gz RKWMJFQWNZDHCR-LBPRGKRZSA-N -1 3 290.432 3.208 20 0 CGADHM CN(Cc1cccs1)Cc1cccc(C(=O)[O-])c1 ZINC000035717866 172372126 /nfs/dbraw/zinc/37/21/26/172372126.db2.gz JCYRQRZKMMTVGF-UHFFFAOYSA-N -1 3 261.346 3.078 20 0 CGADHM COCCCO[N-]C(=O)Nc1cc(Cl)ccc1Cl ZINC000285524340 196313838 /nfs/dbraw/zinc/31/38/38/196313838.db2.gz FCTSBTVGDHEWFH-UHFFFAOYSA-N -1 3 293.150 3.083 20 0 CGADHM CCn1c(C)cc(C(=O)Nc2cccc([O-])c2F)c1C ZINC000128509664 287312558 /nfs/dbraw/zinc/31/25/58/287312558.db2.gz XAENSUZKPQQFNW-UHFFFAOYSA-N -1 3 276.311 3.222 20 0 CGADHM CCOc1c(F)cccc1C(=O)Nc1cccc([O-])c1F ZINC000128882139 287319944 /nfs/dbraw/zinc/31/99/44/287319944.db2.gz HZAJKKSQPQGCHB-UHFFFAOYSA-N -1 3 293.269 3.321 20 0 CGADHM CCc1ccccc1C(=O)Nc1cccc([O-])c1F ZINC000129394463 287330474 /nfs/dbraw/zinc/33/04/74/287330474.db2.gz AULIXKMABLZXGL-UHFFFAOYSA-N -1 3 259.280 3.346 20 0 CGADHM Cc1cc(C)n([C@@H](C)C(=O)Nc2cc(Cl)ccc2[O-])n1 ZINC000129458026 287332117 /nfs/dbraw/zinc/33/21/17/287332117.db2.gz WMTQPEBTMAKTMO-JTQLQIEISA-N -1 3 293.754 3.059 20 0 CGADHM Cc1cc(C)n([C@H](C)C(=O)Nc2cc(Cl)ccc2[O-])n1 ZINC000129458221 287332633 /nfs/dbraw/zinc/33/26/33/287332633.db2.gz WMTQPEBTMAKTMO-SNVBAGLBSA-N -1 3 293.754 3.059 20 0 CGADHM Cc1ccc(NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)c([O-])c1 ZINC000402888503 416548417 /nfs/dbraw/zinc/54/84/17/416548417.db2.gz KTGRHVCGYVAYHQ-FRRDWIJNSA-N -1 3 257.333 3.241 20 0 CGADHM CCN(CC)C(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000130152262 287345939 /nfs/dbraw/zinc/34/59/39/287345939.db2.gz PTKSIVLPRCZDPD-UHFFFAOYSA-N -1 3 299.370 3.453 20 0 CGADHM Cc1cc(C(=O)NCC(C)(C)[C@H]2CCCCO2)ccc1[O-] ZINC000679410671 543635702 /nfs/dbraw/zinc/63/57/02/543635702.db2.gz YTRWQDRNKXMCRQ-OAHLLOKOSA-N -1 3 291.391 3.026 20 0 CGADHM C[C@H](C(=O)N1CCCc2cccc([O-])c21)c1ccco1 ZINC000679319158 543616301 /nfs/dbraw/zinc/61/63/01/543616301.db2.gz SDODXZODGKLSOF-NSHDSACASA-N -1 3 271.316 3.068 20 0 CGADHM CCc1cc(C)nc(Sc2n[n-]c(-c3ccccc3)n2)n1 ZINC000680952199 543749012 /nfs/dbraw/zinc/74/90/12/543749012.db2.gz MYXARMCVMORMIN-UHFFFAOYSA-N -1 3 297.387 3.284 20 0 CGADHM O=S(=O)([N-][C@@H](CC1CC1)c1ccccc1)c1ccco1 ZINC000682082048 543824396 /nfs/dbraw/zinc/82/43/96/543824396.db2.gz KPOHBDDSPGPGCG-AWEZNQCLSA-N -1 3 291.372 3.099 20 0 CGADHM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1ccc(F)cn1 ZINC000130863557 287365203 /nfs/dbraw/zinc/36/52/03/287365203.db2.gz MLKITTRWQOHQJY-UHFFFAOYSA-N -1 3 297.289 3.436 20 0 CGADHM CC(=O)Nc1cc(NC(=O)c2ccc(C)cc2[O-])ccc1C ZINC000131027447 287369032 /nfs/dbraw/zinc/36/90/32/287369032.db2.gz ZQXGVSPVSJYQCZ-UHFFFAOYSA-N -1 3 298.342 3.220 20 0 CGADHM COc1ccc(NC(=O)c2cc3ccsc3[nH]2)c([O-])c1 ZINC000682364964 543836807 /nfs/dbraw/zinc/83/68/07/543836807.db2.gz CUEASWZPASIWQU-UHFFFAOYSA-N -1 3 288.328 3.196 20 0 CGADHM CCc1ccc(C(=O)N[C@H](C)c2cnccc2C)c([O-])c1 ZINC000682525059 543850899 /nfs/dbraw/zinc/85/08/99/543850899.db2.gz XTUKRYMFYMMXBW-GFCCVEGCSA-N -1 3 284.359 3.149 20 0 CGADHM CCOC[C@@H]([N-]c1nc(-c2ccccc2)no1)C(C)C ZINC000682720518 543861810 /nfs/dbraw/zinc/86/18/10/543861810.db2.gz KLAHBWAZKFSAIK-CYBMUJFWSA-N -1 3 275.352 3.210 20 0 CGADHM Cc1cc(S(=O)(=O)[N-][C@H](C)C2CCC2)sc1Cl ZINC000682729426 543862784 /nfs/dbraw/zinc/86/27/84/543862784.db2.gz BEVSLCFSFNDZQE-MRVPVSSYSA-N -1 3 293.841 3.177 20 0 CGADHM CSc1cc(O)ccc1[N-]C(=O)c1coc(C2CC2)n1 ZINC000683138498 543898608 /nfs/dbraw/zinc/89/86/08/543898608.db2.gz TUWVFQSSLDFRRQ-UHFFFAOYSA-N -1 3 290.344 3.232 20 0 CGADHM CCc1ncsc1NC(=O)c1c[n-]nc1-c1ccccc1 ZINC000132139969 287397890 /nfs/dbraw/zinc/39/78/90/287397890.db2.gz GGFCRKNUBFASCU-UHFFFAOYSA-N -1 3 298.371 3.348 20 0 CGADHM COCCN(C(=O)c1cc([O-])ccc1Cl)C1CCCC1 ZINC000685785773 544096633 /nfs/dbraw/zinc/09/66/33/544096633.db2.gz ALJWMYRSMKIHRG-UHFFFAOYSA-N -1 3 297.782 3.077 20 0 CGADHM C[C@]1(c2ccccc2)CCN(Cc2ccoc2C(=O)[O-])C1 ZINC000652428434 418965836 /nfs/dbraw/zinc/96/58/36/418965836.db2.gz LPKRMSUCBNHIOG-KRWDZBQOSA-N -1 3 285.343 3.141 20 0 CGADHM C[C@H]1CC[C@H](C)N1CCOc1ccc(C(=O)[O-])cc1Cl ZINC000652440759 418967967 /nfs/dbraw/zinc/96/79/67/418967967.db2.gz ZLZZYTLHUFLGFR-QWRGUYRKSA-N -1 3 297.782 3.290 20 0 CGADHM CCCC[C@H](C(=O)[O-])N(C)Cc1cc(C)ccc1F ZINC000652433136 418968369 /nfs/dbraw/zinc/96/83/69/418968369.db2.gz TUSKIIVHHRUGRQ-CQSZACIVSA-N -1 3 267.344 3.209 20 0 CGADHM Cc1cc([C@@H](C)N2CCC[C@H](C)C2)oc1C(=O)[O-] ZINC000652366660 418957781 /nfs/dbraw/zinc/95/77/81/418957781.db2.gz HBGHMXBPVWWVNZ-GXSJLCMTSA-N -1 3 251.326 3.079 20 0 CGADHM Cc1ccccc1[C@H](C)N(C)Cc1ncccc1C(=O)[O-] ZINC000652389249 418959337 /nfs/dbraw/zinc/95/93/37/418959337.db2.gz IATCLNPHNQGUEL-ZDUSSCGKSA-N -1 3 284.359 3.281 20 0 CGADHM Cc1ccccc1[C@@H](C(=O)[O-])N1CCOc2ccccc2C1 ZINC000652398870 418961255 /nfs/dbraw/zinc/96/12/55/418961255.db2.gz DASGIWRMJKZDTQ-KRWDZBQOSA-N -1 3 297.354 3.015 20 0 CGADHM O=C([O-])c1ccc(CN2CCC[C@H](Cc3ccccc3)C2)o1 ZINC000652410396 418962971 /nfs/dbraw/zinc/96/29/71/418962971.db2.gz AFBIQNPHKVQWPF-OAHLLOKOSA-N -1 3 299.370 3.433 20 0 CGADHM CC[C@@H]1c2ccccc2CCN1Cc1ccc(C(=O)[O-])cn1 ZINC000652414585 418964881 /nfs/dbraw/zinc/96/48/81/418964881.db2.gz HWFRBEXNOUEWGI-QGZVFWFLSA-N -1 3 296.370 3.289 20 0 CGADHM C[C@@H]1CC[C@H](CC(=O)Nc2cc(F)ccc2[O-])C1 ZINC000150993254 287504462 /nfs/dbraw/zinc/50/44/62/287504462.db2.gz HTTZHIWCDYCPJU-ZJUUUORDSA-N -1 3 251.301 3.296 20 0 CGADHM CCc1cc(C(=O)N[C@H](CC)[C@H]2CCCCO2)ccc1[O-] ZINC000655350009 419042206 /nfs/dbraw/zinc/04/22/06/419042206.db2.gz WJQPQKFGTJYEDM-GDBMZVCRSA-N -1 3 291.391 3.032 20 0 CGADHM O=C(c1ccc(O)cc1[O-])N1CCC[C@@H]1CC1CCCC1 ZINC000655364018 419043772 /nfs/dbraw/zinc/04/37/72/419043772.db2.gz XPEJYULDJBQYRX-CYBMUJFWSA-N -1 3 289.375 3.283 20 0 CGADHM CC[C@H](CC(F)F)CN1CCc2ccc(C(=O)[O-])cc2C1 ZINC000659789623 418989743 /nfs/dbraw/zinc/98/97/43/418989743.db2.gz SMXJYVDUKPZJDG-LLVKDONJSA-N -1 3 297.345 3.424 20 0 CGADHM CCN(Cc1ncc(C2CC2)o1)C1CCC(C(=O)[O-])CC1 ZINC000659792032 418991300 /nfs/dbraw/zinc/99/13/00/418991300.db2.gz YIGDVOXTKKYOPA-UHFFFAOYSA-N -1 3 292.379 3.017 20 0 CGADHM CCOc1nc2cc(C(=O)NC3CC4(CCC4)C3)ccc2[n-]1 ZINC000652969659 419005056 /nfs/dbraw/zinc/00/50/56/419005056.db2.gz KGPZKDIQYMDQDN-UHFFFAOYSA-N -1 3 299.374 3.024 20 0 CGADHM CCOc1nc2ccc(C(=O)NC3CC4(CCC4)C3)cc2[n-]1 ZINC000652969659 419005058 /nfs/dbraw/zinc/00/50/58/419005058.db2.gz KGPZKDIQYMDQDN-UHFFFAOYSA-N -1 3 299.374 3.024 20 0 CGADHM [O-]c1cccc(CN[C@@H](C2CC2)[C@H]2CCCCO2)c1Cl ZINC000655811362 419103815 /nfs/dbraw/zinc/10/38/15/419103815.db2.gz HEVPITUDFAPDRI-ZBFHGGJFSA-N -1 3 295.810 3.483 20 0 CGADHM O=C([O-])CCC1CCN(Cc2cnc(C3CC3)s2)CC1 ZINC000665342492 419113264 /nfs/dbraw/zinc/11/32/64/419113264.db2.gz BVSXKRMWUIYYQK-UHFFFAOYSA-N -1 3 294.420 3.097 20 0 CGADHM O=c1[n-]c([C@H]2CCCN(CCC3CCCCCC3)C2)n[nH]1 ZINC000653677599 419070607 /nfs/dbraw/zinc/07/06/07/419070607.db2.gz YMQGTQOYTBQMKF-AWEZNQCLSA-N -1 3 292.427 3.050 20 0 CGADHM CC(C)n1cc(C=Cc2nc(C(F)(F)F)cc(=O)[n-]2)cn1 ZINC000656106240 419141591 /nfs/dbraw/zinc/14/15/91/419141591.db2.gz SHPCSHJPYOUFLJ-ONEGZZNKSA-N -1 3 298.268 3.149 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CC[C@H](C3CCC3)C2)c1 ZINC000665679081 419147738 /nfs/dbraw/zinc/14/77/38/419147738.db2.gz HZYXETMEMGPIBX-AWEZNQCLSA-N -1 3 273.376 3.217 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)Sc2ccc3c(c2)CCO3)n1 ZINC000665687538 419151546 /nfs/dbraw/zinc/15/15/46/419151546.db2.gz VZDHSWDXJIMARG-JTQLQIEISA-N -1 3 288.372 3.279 20 0 CGADHM CC[C@@H]([N-]c1nc(C2CCC2)no1)[C@H]1CCCCO1 ZINC000656228086 419156145 /nfs/dbraw/zinc/15/61/45/419156145.db2.gz VETHRXMTRIRSQC-VXGBXAGGSA-N -1 3 265.357 3.097 20 0 CGADHM CCCc1cc(=O)[n-]c(C(=Cc2cc3n(n2)CCC3)CC)n1 ZINC000656613814 419186757 /nfs/dbraw/zinc/18/67/57/419186757.db2.gz SFEIRWNNLQEXJW-XFXZXTDPSA-N -1 3 298.390 3.228 20 0 CGADHM CC(C)(C)CCS(=O)(=O)[N-]c1ccc(C(F)F)nc1 ZINC000656633418 419188106 /nfs/dbraw/zinc/18/81/06/419188106.db2.gz BENWUOJCLSSJEY-UHFFFAOYSA-N -1 3 292.351 3.197 20 0 CGADHM CCOc1cc(CN2CC(C(F)F)C2)cc(Cl)c1[O-] ZINC000656692062 419203175 /nfs/dbraw/zinc/20/31/75/419203175.db2.gz ZUUVNMKCVGOMGO-UHFFFAOYSA-N -1 3 291.725 3.141 20 0 CGADHM COc1cccc(CN2CC[C@@H](C)C[C@H]2C(=O)[O-])c1Cl ZINC000656756720 419209506 /nfs/dbraw/zinc/20/95/06/419209506.db2.gz NSLYWPXKOUGKLB-PWSUYJOCSA-N -1 3 297.782 3.034 20 0 CGADHM O=C([O-])c1ccccc1CCN1CCC(c2ccco2)CC1 ZINC000656756238 419209991 /nfs/dbraw/zinc/20/99/91/419209991.db2.gz CHQWVDVLRVHEFG-UHFFFAOYSA-N -1 3 299.370 3.400 20 0 CGADHM O=C([O-])c1coc(CN2CC[C@H](C3CCCCC3)C2)c1 ZINC000656760246 419211184 /nfs/dbraw/zinc/21/11/84/419211184.db2.gz AFKPSZFALBZLOY-ZDUSSCGKSA-N -1 3 277.364 3.380 20 0 CGADHM CCCn1c(=O)[n-]nc1SCc1cccc(SC)c1 ZINC000657231729 419233639 /nfs/dbraw/zinc/23/36/39/419233639.db2.gz LUWKRQYSODDJFF-UHFFFAOYSA-N -1 3 295.433 3.408 20 0 CGADHM CC[C@H](C(=O)[O-])N(C)Cc1ccc(C(C)(C)C)s1 ZINC000166285418 572838896 /nfs/dbraw/zinc/83/88/96/572838896.db2.gz NVQBKVWJYPXNQL-LLVKDONJSA-N -1 3 269.410 3.341 20 0 CGADHM CC(C)(C)OCCCNCc1cccc([O-])c1Cl ZINC000657639478 419317532 /nfs/dbraw/zinc/31/75/32/419317532.db2.gz YTJSSQZRLRFRIP-UHFFFAOYSA-N -1 3 271.788 3.340 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)C2(C)CCC(=O)CC2)c1[O-] ZINC000336200984 228213139 /nfs/dbraw/zinc/21/31/39/228213139.db2.gz MNCZNEQAOWCLPG-UHFFFAOYSA-N -1 3 295.766 3.442 20 0 CGADHM COc1cccc(CN2C[C@@H](C(=O)[O-])CC[C@H]2C)c1Cl ZINC000662213226 419361067 /nfs/dbraw/zinc/36/10/67/419361067.db2.gz UQGVOOGKWQWXJC-PWSUYJOCSA-N -1 3 297.782 3.034 20 0 CGADHM Cc1ccc2cc(C[N-]c3nnc([C@@H]4CCCO4)o3)[nH]c2c1 ZINC000663257988 419531567 /nfs/dbraw/zinc/53/15/67/419531567.db2.gz YPKVBQRUIPYVIA-AWEZNQCLSA-N -1 3 298.346 3.323 20 0 CGADHM COc1cccc(CCCOc2ccc3c([O-])coc3c2)c1 ZINC000664136641 419837876 /nfs/dbraw/zinc/83/78/76/419837876.db2.gz UOGMMGQXPSZUML-UHFFFAOYSA-N -1 3 298.338 3.282 20 0 CGADHM Cc1cc2c([n-]c(CO[C@H]3CCCC[C@@H]3C)nc2=O)s1 ZINC000194400521 287616754 /nfs/dbraw/zinc/61/67/54/287616754.db2.gz VSRXHANMESOQQG-CABZTGNLSA-N -1 3 292.404 3.388 20 0 CGADHM CCCOc1ccccc1NC(=O)/C=C/c1cncc([O-])c1 ZINC000179407367 260047104 /nfs/dbraw/zinc/04/71/04/260047104.db2.gz IVCWGRQZOHEHMT-BQYQJAHWSA-N -1 3 298.342 3.228 20 0 CGADHM C[C@@H](c1ccco1)N(C(=O)/C=C/c1cncc([O-])c1)C1CC1 ZINC000179449271 260048457 /nfs/dbraw/zinc/04/84/57/260048457.db2.gz MZOIKQDYHLDBCU-NTYUQYKDSA-N -1 3 298.342 3.146 20 0 CGADHM CC(C)c1cnc(NC(=O)/C=C/c2cncc([O-])c2)s1 ZINC000179521022 260053219 /nfs/dbraw/zinc/05/32/19/260053219.db2.gz QOSFKJAAZNPWFV-ONEGZZNKSA-N -1 3 289.360 3.019 20 0 CGADHM CC(C)C1CCN(Cc2cc([O-])cc(F)c2)CC1 ZINC000225518817 261360261 /nfs/dbraw/zinc/36/02/61/261360261.db2.gz UJCQMKOPFZCJKC-UHFFFAOYSA-N -1 3 251.345 3.399 20 0 CGADHM Cc1cccc(C(=O)N[C@H]2CCCc3cc(N)ccc32)c1[O-] ZINC000318590881 262009201 /nfs/dbraw/zinc/00/92/01/262009201.db2.gz LVSRRSHRKHJUAQ-INIZCTEOSA-N -1 3 296.370 3.090 20 0 CGADHM CCc1ccccc1S(=O)(=O)[N-]c1ccc(F)cc1C ZINC000187196469 262128108 /nfs/dbraw/zinc/12/81/08/262128108.db2.gz XKWXVIJTCMXTSZ-UHFFFAOYSA-N -1 3 293.363 3.497 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2C[C@@H](C)C[C@H](C)C2)c1 ZINC000522778637 262341267 /nfs/dbraw/zinc/34/12/67/262341267.db2.gz LPVLCMXBERFUNM-RYUDHWBXSA-N -1 3 261.365 3.073 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)Nc1cccc(OC(F)F)c1 ZINC000291684602 263124864 /nfs/dbraw/zinc/12/48/64/263124864.db2.gz CTHUPBSQRVYLGC-SECBINFHSA-N -1 3 288.294 3.387 20 0 CGADHM CCCCN(C)Cc1cccc([O-])c1Br ZINC000316132290 264386810 /nfs/dbraw/zinc/38/68/10/264386810.db2.gz PALFYSZRTLYBEZ-UHFFFAOYSA-N -1 3 272.186 3.387 20 0 CGADHM CCCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000007308661 270026177 /nfs/dbraw/zinc/02/61/77/270026177.db2.gz SYXUPTBYUTYBQN-UHFFFAOYSA-N -1 3 282.192 3.072 20 0 CGADHM CCOc1ccc(CN(C)[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000032182458 270027148 /nfs/dbraw/zinc/02/71/48/270027148.db2.gz GFPFXYHRRUFRGQ-QGZVFWFLSA-N -1 3 299.370 3.343 20 0 CGADHM Cc1ccc([O-])c(C(=O)N(C)C2CCC(C)CC2)c1 ZINC000042315508 270032056 /nfs/dbraw/zinc/03/20/56/270032056.db2.gz MQCJHLRNRXSDTR-UHFFFAOYSA-N -1 3 261.365 3.351 20 0 CGADHM CC(C)[C@@]1(C(=O)[O-])CCN(c2ccnc3ccccc32)C1 ZINC000232839768 287646937 /nfs/dbraw/zinc/64/69/37/287646937.db2.gz JRXRIBOLUKGGDO-QGZVFWFLSA-N -1 3 284.359 3.172 20 0 CGADHM O=C(c1ccc2cc[nH]c2c1)N1CCCc2cccc([O-])c21 ZINC000107885058 270050338 /nfs/dbraw/zinc/05/03/38/270050338.db2.gz FALHDTVLSZIKDT-UHFFFAOYSA-N -1 3 292.338 3.467 20 0 CGADHM C[C@@H]1CCC[C@H](C(=O)N2CCCc3cccc([O-])c32)C1 ZINC000182908869 270054544 /nfs/dbraw/zinc/05/45/44/270054544.db2.gz KIXPJFAMRIQXFE-OCCSQVGLSA-N -1 3 273.376 3.498 20 0 CGADHM CC(C)CCn1ccc(NCc2cc([O-])cc(F)c2)n1 ZINC000185580579 270063342 /nfs/dbraw/zinc/06/33/42/270063342.db2.gz UONRLUHMIHHURK-UHFFFAOYSA-N -1 3 277.343 3.386 20 0 CGADHM O=C(/C=C/c1cccc(F)c1)Nc1ccccc1[O-] ZINC000096748853 265382381 /nfs/dbraw/zinc/38/23/81/265382381.db2.gz LACANVFEYNQBHK-CMDGGOBGSA-N -1 3 257.264 3.183 20 0 CGADHM COc1cc(Cl)ccc1CNCc1cc([O-])cc(F)c1 ZINC000185525725 270063263 /nfs/dbraw/zinc/06/32/63/270063263.db2.gz LHCTWCDMMWELFU-UHFFFAOYSA-N -1 3 295.741 3.483 20 0 CGADHM CC(C)[C@]1(C)C[C@@H]1C(=O)Nc1cccc([O-])c1F ZINC000186590820 270066760 /nfs/dbraw/zinc/06/67/60/270066760.db2.gz WTULQOJFIGQDFY-OTYXRUKQSA-N -1 3 251.301 3.152 20 0 CGADHM Cc1ncsc1/C=C/C(=O)Nc1ccc(C)cc1[O-] ZINC000187379812 270068556 /nfs/dbraw/zinc/06/85/56/270068556.db2.gz UDSMAXHZENNQKT-AATRIKPKSA-N -1 3 274.345 3.117 20 0 CGADHM C[C@H]1CCC[C@@H](N(C)C(=O)c2c[n-]c3ccccc3c2=O)C1 ZINC000193619526 270079540 /nfs/dbraw/zinc/07/95/40/270079540.db2.gz JQLWYCHXZAPYLX-QWHCGFSZSA-N -1 3 298.386 3.179 20 0 CGADHM COc1cccc(C(=O)NC(C2CCC2)C2CCC2)c1[O-] ZINC000325193950 270095052 /nfs/dbraw/zinc/09/50/52/270095052.db2.gz DHWKLKHJTYXUIY-UHFFFAOYSA-N -1 3 289.375 3.099 20 0 CGADHM CC(C)n1cnc(C(=O)Nc2c([O-])cccc2Cl)c1 ZINC000521944380 270103234 /nfs/dbraw/zinc/10/32/34/270103234.db2.gz VTWXSPWNBYWIDY-UHFFFAOYSA-N -1 3 279.727 3.075 20 0 CGADHM C[C@@]1(c2ccccc2)CCN(Cc2occc2C(=O)[O-])C1 ZINC000521634810 270102872 /nfs/dbraw/zinc/10/28/72/270102872.db2.gz WGFQHKMDZNKPPQ-QGZVFWFLSA-N -1 3 285.343 3.141 20 0 CGADHM CCCC[C@@H](CCC)NC(=O)c1cccc2nn[n-]c21 ZINC000527107428 270125581 /nfs/dbraw/zinc/12/55/81/270125581.db2.gz SSNZFOWQEWSENY-LLVKDONJSA-N -1 3 274.368 3.047 20 0 CGADHM CCCC[C@@H](CCC)NC(=O)c1cccc2[n-]nnc21 ZINC000527107428 270125582 /nfs/dbraw/zinc/12/55/82/270125582.db2.gz SSNZFOWQEWSENY-LLVKDONJSA-N -1 3 274.368 3.047 20 0 CGADHM CCCC[C@@H](CCC)NC(=O)c1cccc2n[n-]nc21 ZINC000527107428 270125583 /nfs/dbraw/zinc/12/55/83/270125583.db2.gz SSNZFOWQEWSENY-LLVKDONJSA-N -1 3 274.368 3.047 20 0 CGADHM C[C@@H]1CC[C@H](c2noc(/C=C/c3cccc([O-])c3)n2)O1 ZINC000528235674 270158987 /nfs/dbraw/zinc/15/89/87/270158987.db2.gz KWTXFXPIAXMXNA-XKGOSNOPSA-N -1 3 272.304 3.186 20 0 CGADHM CCCN(C(=O)c1cc([O-])cc(Br)c1)C1CC1 ZINC000528415241 270164803 /nfs/dbraw/zinc/16/48/03/270164803.db2.gz IBYLDFXJVVVDFM-UHFFFAOYSA-N -1 3 298.180 3.169 20 0 CGADHM CC1(C)C[C@H](C(=O)Nc2cc(F)ccc2[O-])C(C)(C)O1 ZINC000528901977 270175715 /nfs/dbraw/zinc/17/57/15/270175715.db2.gz KARZNTJGBQCONY-SNVBAGLBSA-N -1 3 281.327 3.064 20 0 CGADHM CCC[C@H](OCC)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000528903074 270175733 /nfs/dbraw/zinc/17/57/33/270175733.db2.gz NPVBRCRBJWPTSI-LBPRGKRZSA-N -1 3 271.744 3.189 20 0 CGADHM CC(=O)c1cccc(NC(=O)C[C@@H](C)c2ccco2)c1[O-] ZINC000529390432 270180254 /nfs/dbraw/zinc/18/02/54/270180254.db2.gz YTBABKDNJTVGDC-SNVBAGLBSA-N -1 3 287.315 3.320 20 0 CGADHM Cc1scnc1[N-]C(=O)c1cc(COC(C)(C)C)on1 ZINC000529543582 270183505 /nfs/dbraw/zinc/18/35/05/270183505.db2.gz GFDWYBULNHFYAJ-UHFFFAOYSA-N -1 3 295.364 3.007 20 0 CGADHM Cc1ncccc1CNC(=O)c1ccc(C(C)C)cc1[O-] ZINC000529881573 270190972 /nfs/dbraw/zinc/19/09/72/270190972.db2.gz ROQFXWZHLUKJON-UHFFFAOYSA-N -1 3 284.359 3.149 20 0 CGADHM CCc1cccc(C(=O)N(C)Cc2ccccc2)c1[O-] ZINC000531118753 270204174 /nfs/dbraw/zinc/20/41/74/270204174.db2.gz YATIPUHPBBSOIX-UHFFFAOYSA-N -1 3 269.344 3.227 20 0 CGADHM CCc1cccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)c1[O-] ZINC000531357227 270205882 /nfs/dbraw/zinc/20/58/82/270205882.db2.gz ZUKMOCCDVCNTTD-RYUDHWBXSA-N -1 3 261.365 3.073 20 0 CGADHM C[C@H]1CC[C@H](NC(=O)Cc2ccc([O-])cc2Cl)CC1 ZINC000247528421 287744213 /nfs/dbraw/zinc/74/42/13/287744213.db2.gz OTPSMVXABCXKPO-UMSPYCQHSA-N -1 3 281.783 3.283 20 0 CGADHM [O-]c1cc(F)cc(CN[C@@H]2CCOc3c(F)cccc32)c1 ZINC000334147582 275060707 /nfs/dbraw/zinc/06/07/07/275060707.db2.gz VJOSCVSVCCRYOE-OAHLLOKOSA-N -1 3 291.297 3.284 20 0 CGADHM C[C@@H]1CCN(C(=O)[C@H]2CC2(C)C)c2c([O-])cccc21 ZINC000186309009 277745164 /nfs/dbraw/zinc/74/51/64/277745164.db2.gz NZGNCRHJBCLASE-ZYHUDNBSSA-N -1 3 259.349 3.279 20 0 CGADHM Cc1ccc([O-])c(C(=O)NC[C@H](C)CC(F)(F)F)c1 ZINC000397037480 288020880 /nfs/dbraw/zinc/02/08/80/288020880.db2.gz GNFVDKGTGUCVIF-SECBINFHSA-N -1 3 275.270 3.019 20 0 CGADHM CCOc1ccccc1N(C)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459371678 288085471 /nfs/dbraw/zinc/08/54/71/288085471.db2.gz IOVGMCSXFGRIKG-UHFFFAOYSA-N -1 3 299.374 3.095 20 0 CGADHM CCOc1cc(CN[C@H]2CCC[C@H]2F)cc(Cl)c1[O-] ZINC000459596343 288099741 /nfs/dbraw/zinc/09/97/41/288099741.db2.gz UGPNOFAAURHLIG-NEPJUHHUSA-N -1 3 287.762 3.425 20 0 CGADHM C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2C(F)(F)F)c2c([O-])cccc21 ZINC000450932614 279704893 /nfs/dbraw/zinc/70/48/93/279704893.db2.gz INLFVQKOPZOJJC-JMJZKYOTSA-N -1 3 299.292 3.431 20 0 CGADHM Cc1ccccc1[C@@H](NC(=O)c1csc(=O)[n-]1)C1CC1 ZINC000527455928 288168722 /nfs/dbraw/zinc/16/87/22/288168722.db2.gz KPNQJEUVXFGWMG-ZDUSSCGKSA-N -1 3 288.372 3.038 20 0 CGADHM Cc1ccc(NC(=O)C[C@H](C)c2ccco2)c([O-])c1 ZINC000527660502 288184182 /nfs/dbraw/zinc/18/41/82/288184182.db2.gz WOPKEYSDWHWJIG-NSHDSACASA-N -1 3 259.305 3.426 20 0 CGADHM Cc1cc(C)c(-c2nc(-c3ccc([O-])cc3)no2)o1 ZINC000436529551 280379808 /nfs/dbraw/zinc/37/98/08/280379808.db2.gz BOUXBRNCPKTJAE-UHFFFAOYSA-N -1 3 256.261 3.319 20 0 CGADHM CCc1cccc2c1OCC[C@@H]2NC(=O)c1cccc([O-])c1 ZINC000357429720 281446321 /nfs/dbraw/zinc/44/63/21/281446321.db2.gz JAJGEJYKHHBLGU-INIZCTEOSA-N -1 3 297.354 3.208 20 0 CGADHM O=c1[n-]c(CN2CCC=C(F)C2)nc2c3ccccc3oc21 ZINC000539812713 288631335 /nfs/dbraw/zinc/63/13/35/288631335.db2.gz QRXZQWLKVKKIQE-UHFFFAOYSA-N -1 3 299.305 3.141 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2ccc(C)c(O)c2)c1 ZINC000539882910 288636809 /nfs/dbraw/zinc/63/68/09/288636809.db2.gz YVUYFGSUQPYCRO-UHFFFAOYSA-N -1 3 271.316 3.221 20 0 CGADHM Cc1cc(C(=O)NCc2cc3ccccc3o2)ccc1[O-] ZINC000543715601 288816087 /nfs/dbraw/zinc/81/60/87/288816087.db2.gz USTZGEIHJJUVHZ-UHFFFAOYSA-N -1 3 281.311 3.377 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)[C@H]2C[C@@]2(C)C(C)C)c1-c1ccccc1 ZINC000547533941 288968236 /nfs/dbraw/zinc/96/82/36/288968236.db2.gz OCAPEEWVHWKXQR-KDOFPFPSSA-N -1 3 297.402 3.428 20 0 CGADHM Cc1ccc(C(=O)NCC(C)(C)C(F)(F)F)c([O-])c1C ZINC000548911401 289028744 /nfs/dbraw/zinc/02/87/44/289028744.db2.gz ZQIDXHTZHBMGOD-UHFFFAOYSA-N -1 3 289.297 3.327 20 0 CGADHM CCc1cc(C(=O)N[C@H]2CCC[C@@H](C)C2)ccc1[O-] ZINC000553300427 289218319 /nfs/dbraw/zinc/21/83/19/289218319.db2.gz KXCNMAZVBXCEQY-RISCZKNCSA-N -1 3 261.365 3.263 20 0 CGADHM CCSc1ccccc1C(=O)N=c1cc2ccccn2[n-]1 ZINC000553332286 289219837 /nfs/dbraw/zinc/21/98/37/289219837.db2.gz VUCKFEFPIDSONS-UHFFFAOYSA-N -1 3 297.383 3.121 20 0 CGADHM C[C@H](CC(=O)N=c1cc2ccccn2[n-]1)C1CCCCC1 ZINC000553332155 289219845 /nfs/dbraw/zinc/21/98/45/289219845.db2.gz NZELFRQVVGDEDA-CYBMUJFWSA-N -1 3 285.391 3.301 20 0 CGADHM C[C@H]1CCC[C@@H](CNC(=O)c2c[n-]nc2-c2ccccn2)C1 ZINC000554993283 289322555 /nfs/dbraw/zinc/32/25/55/289322555.db2.gz WUSMZARSMMGJOK-QWHCGFSZSA-N -1 3 298.390 3.028 20 0 CGADHM CC1(C)CC(CNC(=O)c2cc([O-])ccc2Cl)C1 ZINC000560414075 289589332 /nfs/dbraw/zinc/58/93/32/289589332.db2.gz DXABYNQPBKRSSX-UHFFFAOYSA-N -1 3 267.756 3.212 20 0 CGADHM O=C(Nc1c([O-])cccc1Cl)c1cccc(F)c1 ZINC000560820433 289617162 /nfs/dbraw/zinc/61/71/62/289617162.db2.gz DAQGVFLZLGQUDF-UHFFFAOYSA-N -1 3 265.671 3.437 20 0 CGADHM C[C@H]1C[C@H]1c1ccc(CNC(=O)c2cc([O-])ccc2F)o1 ZINC000562645459 289722042 /nfs/dbraw/zinc/72/20/42/289722042.db2.gz ZMWAVJVYSXLPAA-JOYOIKCWSA-N -1 3 289.306 3.178 20 0 CGADHM C[C@@H]1C[C@@H](C)[C@H](C)N(C(=O)c2c[n-]c3ccccc3c2=O)C1 ZINC000357012566 297244936 /nfs/dbraw/zinc/24/49/36/297244936.db2.gz KHRWNBUUQWRRIZ-UPJWGTAASA-N -1 3 298.386 3.035 20 0 CGADHM Cc1cc(C(=O)N2CCS[C@H]3CCCC[C@H]32)ccc1[O-] ZINC000272710885 301113155 /nfs/dbraw/zinc/11/31/55/301113155.db2.gz XUPBNXHXVKCEPH-HIFRSBDPSA-N -1 3 291.416 3.201 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCC[C@H]2c2ccsc2)n1 ZINC000279411763 301372498 /nfs/dbraw/zinc/37/24/98/301372498.db2.gz JOAGALLALGLZSB-YPMHNXCESA-N -1 3 289.404 3.450 20 0 CGADHM COc1cc(C)cnc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000436725772 533696859 /nfs/dbraw/zinc/69/68/59/533696859.db2.gz RNTIEODPABQRQM-UHFFFAOYSA-N -1 3 292.722 3.010 20 0 CGADHM COc1ccc(NC(=O)[C@H]2CCC(C)=C(C)C2)c([O-])c1 ZINC000580076712 327693185 /nfs/dbraw/zinc/69/31/85/327693185.db2.gz DVYBAEBYQRKJMT-LBPRGKRZSA-N -1 3 275.348 3.476 20 0 CGADHM COc1ccc([O-])c(C(=O)Nc2ccc3ccn(C)c3c2)c1 ZINC000172873799 321945131 /nfs/dbraw/zinc/94/51/31/321945131.db2.gz NNMHWRQEGPUHJW-UHFFFAOYSA-N -1 3 296.326 3.145 20 0 CGADHM CCc1nc(CN(CC)C2CCC(C(=O)[O-])CC2)cs1 ZINC000563822273 322011799 /nfs/dbraw/zinc/01/17/99/322011799.db2.gz OPLRCFXBPWSOJC-UHFFFAOYSA-N -1 3 296.436 3.171 20 0 CGADHM CCc1cccc(C(=O)N(CC)[C@H](C)C(C)C)c1[O-] ZINC000565197236 322066253 /nfs/dbraw/zinc/06/62/53/322066253.db2.gz WAPLEPIVVTVSAF-GFCCVEGCSA-N -1 3 263.381 3.461 20 0 CGADHM CCC[C@@H]1CCCC[C@@H]1CNC(=O)Cc1cncc([O-])c1 ZINC000565435346 322077933 /nfs/dbraw/zinc/07/79/33/322077933.db2.gz ZROJOTOQGZCUSD-HUUCEWRRSA-N -1 3 290.407 3.052 20 0 CGADHM CC(C)CCN(Cc1csc(C(=O)[O-])c1)C1CC1 ZINC000566360212 322118679 /nfs/dbraw/zinc/11/86/79/322118679.db2.gz TUMUDJCSKVZBOT-UHFFFAOYSA-N -1 3 267.394 3.457 20 0 CGADHM CCc1nc(CN(C)Cc2c(F)ccc([O-])c2F)cs1 ZINC000566694059 322135008 /nfs/dbraw/zinc/13/50/08/322135008.db2.gz BUWMWOSJNMMBMF-UHFFFAOYSA-N -1 3 298.358 3.321 20 0 CGADHM [O-]c1cc(F)cc(CN2CCc3cccc(F)c32)c1 ZINC000566705575 322135042 /nfs/dbraw/zinc/13/50/42/322135042.db2.gz LAOVIWTXCYRFSV-UHFFFAOYSA-N -1 3 261.271 3.233 20 0 CGADHM CC(=O)c1cccc(NC(=O)C[C@@H]2C=CCCC2)c1[O-] ZINC000567956227 322185666 /nfs/dbraw/zinc/18/56/66/322185666.db2.gz JKPQSKBIGNRPJI-GFCCVEGCSA-N -1 3 273.332 3.280 20 0 CGADHM CC(C)C[C@H](C(=O)[O-])N1CCc2c3ccccc3[nH]c2C1 ZINC000568065628 322191688 /nfs/dbraw/zinc/19/16/88/322191688.db2.gz AUSKDVXKYVHDGI-MRXNPFEDSA-N -1 3 286.375 3.025 20 0 CGADHM C[C@H]1C[C@H](C)N(CCOc2ccc(C(=O)[O-])cc2Cl)C1 ZINC000568281207 322203286 /nfs/dbraw/zinc/20/32/86/322203286.db2.gz CMQLTJUKRUANNT-QWRGUYRKSA-N -1 3 297.782 3.147 20 0 CGADHM O=C(NCc1ncccc1[O-])Nc1cccc(C2CCC2)c1 ZINC000569168100 322237416 /nfs/dbraw/zinc/23/74/16/322237416.db2.gz MUFGMUBSMRYBKE-UHFFFAOYSA-N -1 3 297.358 3.376 20 0 CGADHM CCC[C@H](C)[C@@H]1CCCN1Cc1nc(C(=O)[O-])cs1 ZINC000569250604 322241276 /nfs/dbraw/zinc/24/12/76/322241276.db2.gz AZRVRGISLKXWKQ-JQWIXIFHSA-N -1 3 282.409 3.242 20 0 CGADHM C[C@@H]1CC[C@](CNCc2ccc(F)cc2F)(CC(=O)[O-])C1 ZINC000570776054 322281932 /nfs/dbraw/zinc/28/19/32/322281932.db2.gz QVXNQTNUOIQMOP-BDJLRTHQSA-N -1 3 297.345 3.336 20 0 CGADHM O=C(NC[C@@H]1CC2CCC1CC2)c1cc([O-])ccc1F ZINC000570930429 322285556 /nfs/dbraw/zinc/28/55/56/322285556.db2.gz VQHOLLIAADAJTN-MCIGGMRASA-N -1 3 277.339 3.087 20 0 CGADHM CC(C)Oc1ccccc1[C@@H](C)NCc1ncccc1[O-] ZINC000571246073 322293853 /nfs/dbraw/zinc/29/38/53/322293853.db2.gz GYXLTUWTJYJJGN-CYBMUJFWSA-N -1 3 286.375 3.425 20 0 CGADHM C[C@H]1CCCC[C@H]1CNC(=O)c1c[n-]nc1-c1ccccn1 ZINC000571724897 322306099 /nfs/dbraw/zinc/30/60/99/322306099.db2.gz FZGVUFDBQOXDOY-STQMWFEESA-N -1 3 298.390 3.028 20 0 CGADHM Cc1ccccc1[C@@H](C)N(C)Cc1cc(C(=O)[O-])co1 ZINC000571928614 322312724 /nfs/dbraw/zinc/31/27/24/322312724.db2.gz CHCVXRUAOAUOEE-GFCCVEGCSA-N -1 3 273.332 3.479 20 0 CGADHM C[C@@H]1CCCCN1CCOc1ccc(C(=O)[O-])cc1Cl ZINC000572249715 322327524 /nfs/dbraw/zinc/32/75/24/322327524.db2.gz WREXNXZADYSDPI-LLVKDONJSA-N -1 3 297.782 3.291 20 0 CGADHM [O-]c1ccc(Cc2nc([C@H]3CC34CC4)no2)c(Cl)c1 ZINC000573099503 322370108 /nfs/dbraw/zinc/37/01/08/322370108.db2.gz VDMQPOPMDWHOGW-SNVBAGLBSA-N -1 3 276.723 3.287 20 0 CGADHM Cc1cc([C@H](C)N2C[C@@H](C)S[C@@H](C)C2)oc1C(=O)[O-] ZINC000573259263 322378772 /nfs/dbraw/zinc/37/87/72/322378772.db2.gz PBWBGGLNUYMBGQ-AXFHLTTASA-N -1 3 283.393 3.173 20 0 CGADHM COc1cccc(C2CCN(Cc3ncccc3[O-])CC2)c1 ZINC000574438834 322440046 /nfs/dbraw/zinc/44/00/46/322440046.db2.gz CZVDTMKHOWDJFA-UHFFFAOYSA-N -1 3 298.386 3.175 20 0 CGADHM CCc1cccc(CN[C@@H](C(=O)[O-])c2ccccc2OC)c1 ZINC000575991986 322499840 /nfs/dbraw/zinc/49/98/40/322499840.db2.gz LDHWQDFKPPRLBW-QGZVFWFLSA-N -1 3 299.370 3.173 20 0 CGADHM [O-]c1cccnc1CN1CCC[C@@H]1c1ccc(F)cc1F ZINC000582527384 329107345 /nfs/dbraw/zinc/10/73/45/329107345.db2.gz XRSPJEAPGYLTRW-OAHLLOKOSA-N -1 3 290.313 3.403 20 0 CGADHM Cc1cc(Cl)cc(CN2CCC[C@@H](CC(=O)[O-])C2)c1 ZINC000395113405 329276473 /nfs/dbraw/zinc/27/64/73/329276473.db2.gz PWHWWFBGMMAWAJ-LBPRGKRZSA-N -1 3 281.783 3.335 20 0 CGADHM COc1ccc(NC(=O)Cc2cccc(C3CC3)c2)c([O-])c1 ZINC000584516059 329507754 /nfs/dbraw/zinc/50/77/54/329507754.db2.gz DONWBTNDBJXAPW-UHFFFAOYSA-N -1 3 297.354 3.459 20 0 CGADHM Cc1cccc(C(=O)Nc2cc(F)ccc2[O-])c1C ZINC000174880339 335168212 /nfs/dbraw/zinc/16/82/12/335168212.db2.gz QVRPRTIVJYMDDO-UHFFFAOYSA-N -1 3 259.280 3.400 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])c1ccc2c(c1)CCC2 ZINC000174875542 335168447 /nfs/dbraw/zinc/16/84/47/335168447.db2.gz NMEQFAOBVOWDOU-UHFFFAOYSA-N -1 3 271.291 3.272 20 0 CGADHM O=C(Nc1cc(Br)ccc1[O-])c1cccs1 ZINC000176433886 335278164 /nfs/dbraw/zinc/27/81/64/335278164.db2.gz DNVGCSTXRUNVEW-UHFFFAOYSA-N -1 3 298.161 3.469 20 0 CGADHM CCCCO[C@@H]1C[C@H](N(C)Cc2ncccc2[O-])C1(C)C ZINC000577324780 335338748 /nfs/dbraw/zinc/33/87/48/335338748.db2.gz XMYZXBWPDVLTEM-JKSUJKDBSA-N -1 3 292.423 3.203 20 0 CGADHM Cc1cccc([O-])c1NC(=O)c1ccc(F)c(F)c1 ZINC000179563926 335500565 /nfs/dbraw/zinc/50/05/65/335500565.db2.gz VHFLVSOUEKWKBI-UHFFFAOYSA-N -1 3 263.243 3.231 20 0 CGADHM O=C([N-]c1c(F)cc(Cl)cc1F)c1ccncc1F ZINC000180351778 335575089 /nfs/dbraw/zinc/57/50/89/335575089.db2.gz RYANSUUJRYHNCM-UHFFFAOYSA-N -1 3 286.640 3.405 20 0 CGADHM CC(=O)c1cccc(NC(=O)Cc2ccc(C)s2)c1[O-] ZINC000581421547 336074517 /nfs/dbraw/zinc/07/45/17/336074517.db2.gz RJWWDSZRPOKXKT-UHFFFAOYSA-N -1 3 289.356 3.146 20 0 CGADHM COc1cccc(Cc2noc(-c3cc(C)ccc3[O-])n2)c1 ZINC000387331504 336192572 /nfs/dbraw/zinc/19/25/72/336192572.db2.gz UXBGRGUEIREBMM-UHFFFAOYSA-N -1 3 296.326 3.350 20 0 CGADHM COC(=O)c1ccc(C(=O)Nc2cccc(C3CCC3)c2)[n-]1 ZINC000357994935 534043163 /nfs/dbraw/zinc/04/31/63/534043163.db2.gz NOHMGRXPBXHPEV-UHFFFAOYSA-N -1 3 298.342 3.321 20 0 CGADHM C[C@@H](CNC(=O)c1ccccc1[O-])c1ccc(F)cc1F ZINC000436572443 534045987 /nfs/dbraw/zinc/04/59/87/534045987.db2.gz GDKHNHDEABFZPU-JTQLQIEISA-N -1 3 291.297 3.204 20 0 CGADHM Cc1ccc(C[C@@H](C)NC(=O)c2c([O-])cccc2O)c(C)c1 ZINC000436645630 534122722 /nfs/dbraw/zinc/12/27/22/534122722.db2.gz BZCHSZSAMYMHTC-CYBMUJFWSA-N -1 3 299.370 3.076 20 0 CGADHM Cc1cc2n[nH]cc2cc1NCc1cc([O-])cc(F)c1 ZINC000359792690 534128700 /nfs/dbraw/zinc/12/87/00/534128700.db2.gz AERWFBNGTYEHNY-UHFFFAOYSA-N -1 3 271.295 3.328 20 0 CGADHM Cc1cc2n[nH]cc2cc1NC(=O)c1ccc([O-])c(C)c1 ZINC000437001907 534128786 /nfs/dbraw/zinc/12/87/86/534128786.db2.gz LTSPAJICBWCSTO-UHFFFAOYSA-N -1 3 281.315 3.138 20 0 CGADHM CSc1ccc(-c2nc(-c3ccc([O-])cc3)no2)o1 ZINC000436890446 534178454 /nfs/dbraw/zinc/17/84/54/534178454.db2.gz UDDNRLNCDGLJIK-UHFFFAOYSA-N -1 3 274.301 3.424 20 0 CGADHM Cc1ccc([O-])c(CNCc2ccc(C3CC3)cc2)n1 ZINC000359809182 534198283 /nfs/dbraw/zinc/19/82/83/534198283.db2.gz YXQOOIYYGKPGBL-UHFFFAOYSA-N -1 3 268.360 3.263 20 0 CGADHM Cc1ccc(-c2nnc(NC(=O)C[C@H](C)CC(C)C)[n-]2)o1 ZINC000358993457 534199415 /nfs/dbraw/zinc/19/94/15/534199415.db2.gz BEQOROCMLLTIQQ-SNVBAGLBSA-N -1 3 290.367 3.384 20 0 CGADHM Cc1ccc(-c2n[n-]c(NC(=O)C[C@H](C)CC(C)C)n2)o1 ZINC000358993457 534199418 /nfs/dbraw/zinc/19/94/18/534199418.db2.gz BEQOROCMLLTIQQ-SNVBAGLBSA-N -1 3 290.367 3.384 20 0 CGADHM Cc1ccc(-c2nc(NC(=O)C[C@H](C)CC(C)C)n[n-]2)o1 ZINC000358993457 534199424 /nfs/dbraw/zinc/19/94/24/534199424.db2.gz BEQOROCMLLTIQQ-SNVBAGLBSA-N -1 3 290.367 3.384 20 0 CGADHM Cc1ccc(C(=O)N2CC(Cc3ccccc3)C2)c([O-])c1 ZINC000364736092 534260669 /nfs/dbraw/zinc/26/06/69/534260669.db2.gz DMMRRXHVVCPTNW-UHFFFAOYSA-N -1 3 281.355 3.015 20 0 CGADHM Cc1ccc(C(=O)NCC(C)(C)Oc2ccccc2)c([O-])c1 ZINC000436694023 534264668 /nfs/dbraw/zinc/26/46/68/534264668.db2.gz AKOAKODRTPIAKO-UHFFFAOYSA-N -1 3 299.370 3.288 20 0 CGADHM O=C(Nc1ccccc1[O-])[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000175085579 534398495 /nfs/dbraw/zinc/39/84/95/534398495.db2.gz HRNLKSMZJBSTBA-CMPLNLGQSA-N -1 3 289.281 3.413 20 0 CGADHM Cc1ccc2c(c1)CN(C(=O)c1ccc(C)c(C)c1[O-])C2 ZINC000436600788 534422622 /nfs/dbraw/zinc/42/26/22/534422622.db2.gz ILVJYBLRPSVGMK-UHFFFAOYSA-N -1 3 281.355 3.473 20 0 CGADHM CC(C)OCc1nc(=O)c2c3c(sc2[n-]1)CCCCC3 ZINC000080715635 519776573 /nfs/dbraw/zinc/77/65/73/519776573.db2.gz SBJWHXWCALJINH-UHFFFAOYSA-N -1 3 292.404 3.179 20 0 CGADHM [O-]c1ccc(-c2noc(Cc3cc(F)ccc3F)n2)cc1 ZINC000436533631 534450953 /nfs/dbraw/zinc/45/09/53/534450953.db2.gz MRQLIRWHDPRTQJ-UHFFFAOYSA-N -1 3 288.253 3.311 20 0 CGADHM [O-]c1ccc(-c2noc(COCCc3ccccc3)n2)cc1 ZINC000436766541 534451120 /nfs/dbraw/zinc/45/11/20/534451120.db2.gz CTZHFXBOMLRGCP-UHFFFAOYSA-N -1 3 296.326 3.202 20 0 CGADHM [O-]c1ccc(-c2noc(CCCOc3ccccc3)n2)cc1 ZINC000436766029 534451516 /nfs/dbraw/zinc/45/15/16/534451516.db2.gz BUANDQOGDBYEPL-UHFFFAOYSA-N -1 3 296.326 3.454 20 0 CGADHM CCCC1CCN(Cc2cc(C(=O)[O-])c(C)o2)CC1 ZINC000050894017 519902202 /nfs/dbraw/zinc/90/22/02/519902202.db2.gz HUHHTYBKUZISDG-UHFFFAOYSA-N -1 3 265.353 3.298 20 0 CGADHM Cc1ccc2c(c1C)OC[C@H]2NC(=O)c1ccc([O-])c(C)c1 ZINC000436925475 534459804 /nfs/dbraw/zinc/45/98/04/534459804.db2.gz GGEDHKPWHWUABO-OAHLLOKOSA-N -1 3 297.354 3.181 20 0 CGADHM CCO[C@@H](C)C(=O)Nc1cc(Cc2ccccc2)ccc1[O-] ZINC000081459868 520258440 /nfs/dbraw/zinc/25/84/40/520258440.db2.gz NPWUFRHQVUJSRC-ZDUSSCGKSA-N -1 3 299.370 3.347 20 0 CGADHM O=C([O-])C[C@@H](NCc1cccs1)c1ccsc1 ZINC000426684330 534502116 /nfs/dbraw/zinc/50/21/16/534502116.db2.gz ZHBNANABGXGQNV-LLVKDONJSA-N -1 3 267.375 3.115 20 0 CGADHM CCOc1ccc(NCc2cc([O-])cc(F)c2)cc1CO ZINC000184140564 521125446 /nfs/dbraw/zinc/12/54/46/521125446.db2.gz QNFIQJOBEFMHOX-UHFFFAOYSA-N -1 3 291.322 3.034 20 0 CGADHM CCCN(CC(=O)[O-])Cc1cc(Cl)ccc1Cl ZINC000087761494 521561131 /nfs/dbraw/zinc/56/11/31/521561131.db2.gz ZWPXUEAOFXCSKY-UHFFFAOYSA-N -1 3 276.163 3.290 20 0 CGADHM Cc1cccc(C(=O)N2C[C@H](C)C[C@H](C)[C@@H]2C)c1[O-] ZINC000166844485 534598857 /nfs/dbraw/zinc/59/88/57/534598857.db2.gz VOUFINHHPCTTEC-WXHSDQCUSA-N -1 3 261.365 3.207 20 0 CGADHM Cc1sc(CNC(=O)c2ccccc2[O-])nc1C(C)C ZINC000436551792 534604970 /nfs/dbraw/zinc/60/49/70/534604970.db2.gz SINDZPHWXNUOSS-UHFFFAOYSA-N -1 3 290.388 3.211 20 0 CGADHM Cc1cccc(C(=O)Nc2cc3c[nH]nc3cc2C)c1[O-] ZINC000437006899 534625144 /nfs/dbraw/zinc/62/51/44/534625144.db2.gz WNWSWTALOVOURM-UHFFFAOYSA-N -1 3 281.315 3.138 20 0 CGADHM Cc1cccc(C(=O)Nc2cccc(-n3cccn3)c2)c1[O-] ZINC000436532398 534627272 /nfs/dbraw/zinc/62/72/72/534627272.db2.gz XYNHHOTUOCSXSM-UHFFFAOYSA-N -1 3 293.326 3.139 20 0 CGADHM CN(Cc1cc(C(=O)[O-])ccc1F)CC(C)(C)C ZINC000062755253 523167268 /nfs/dbraw/zinc/16/72/68/523167268.db2.gz SBSSNXYATCNEDC-UHFFFAOYSA-N -1 3 253.317 3.002 20 0 CGADHM COc1ccccc1CCC[S@](=O)c1cccc([O-])c1 ZINC000184046331 524405010 /nfs/dbraw/zinc/40/50/10/524405010.db2.gz SRBLJHHXHXJFKW-FQEVSTJZSA-N -1 3 290.384 3.141 20 0 CGADHM Cc1ccc([O-])c(CN[C@@H](C)c2ccc(F)c(F)c2)n1 ZINC000103340524 525351706 /nfs/dbraw/zinc/35/17/06/525351706.db2.gz QNCIJWIHMHUCDP-JTQLQIEISA-N -1 3 278.302 3.225 20 0 CGADHM C[C@@H](c1ccccc1F)[S@@](=O)c1ccc([O-])cc1 ZINC000108085786 526106870 /nfs/dbraw/zinc/10/68/70/526106870.db2.gz HKYSFNLYFZNTNI-YPMLDQLKSA-N -1 3 264.321 3.400 20 0 CGADHM CC(C)(C)c1ncc(/C=C/C(=O)[N-]OCCC2CC2)s1 ZINC000493557308 534907460 /nfs/dbraw/zinc/90/74/60/534907460.db2.gz PAPKFEPWGSZRSQ-VOTSOKGWSA-N -1 3 294.420 3.302 20 0 CGADHM CN(Cc1ccc(Cl)s1)Cc1ncccc1[O-] ZINC000514692623 536469322 /nfs/dbraw/zinc/46/93/22/536469322.db2.gz WNKLBKDYEZWQHW-UHFFFAOYSA-N -1 3 268.769 3.134 20 0 CGADHM CC(=O)c1ccc(C(=O)NCC2(CC(C)C)CC2)cc1[O-] ZINC000436656187 527253230 /nfs/dbraw/zinc/25/32/30/527253230.db2.gz FOSMLKAEFKJENO-UHFFFAOYSA-N -1 3 289.375 3.151 20 0 CGADHM CC(=O)c1ccc(C(=O)Nc2ccc3c(c2)CCC3)cc1[O-] ZINC000436861721 527268859 /nfs/dbraw/zinc/26/88/59/527268859.db2.gz UYFCWBAVIUTYLU-UHFFFAOYSA-N -1 3 295.338 3.336 20 0 CGADHM CC(C)(NC(=O)Cc1ccc([O-])c(F)c1)c1cccs1 ZINC000449929215 527270844 /nfs/dbraw/zinc/27/08/44/527270844.db2.gz ZLTQLCFCZCPCQG-UHFFFAOYSA-N -1 3 293.363 3.187 20 0 CGADHM O=[S@](Cc1ccccc1Cl)c1ccc([O-])cc1 ZINC000108084418 527430132 /nfs/dbraw/zinc/43/01/32/527430132.db2.gz MNCNJOBJNWHGDX-KRWDZBQOSA-N -1 3 266.749 3.353 20 0 CGADHM CC(C)(C)CC[C@@H](NCc1cc(F)ccc1F)C(=O)[O-] ZINC000426745139 527676174 /nfs/dbraw/zinc/67/61/74/527676174.db2.gz ZFFWCWLGBHJOKY-CYBMUJFWSA-N -1 3 285.334 3.334 20 0 CGADHM CCC[C@@H]1SCCN1C(=O)c1cc(C)ccc1[O-] ZINC000436549398 527872359 /nfs/dbraw/zinc/87/23/59/527872359.db2.gz PSHDCSIVIDAPCL-ZDUSSCGKSA-N -1 3 265.378 3.016 20 0 CGADHM CCC[C@@]1(COC)CCCN1C(=O)c1ccc(C)cc1[O-] ZINC000436726454 527958526 /nfs/dbraw/zinc/95/85/26/527958526.db2.gz XUMFIJMRGSSMNC-KRWDZBQOSA-N -1 3 291.391 3.122 20 0 CGADHM CCCC(C)(C)CC(=O)N=c1cc(-c2ccncc2)[n-][nH]1 ZINC000429415658 527978460 /nfs/dbraw/zinc/97/84/60/527978460.db2.gz ITEPEFVKJIFFDG-UHFFFAOYSA-N -1 3 286.379 3.049 20 0 CGADHM CC(C)c1ccc(C(=O)N(C)Cc2cccn2C)c([O-])c1 ZINC000436585940 528058528 /nfs/dbraw/zinc/05/85/28/528058528.db2.gz RUBMXSHEOZIJST-UHFFFAOYSA-N -1 3 286.375 3.126 20 0 CGADHM CC(C)c1ccc(C(=O)N(C)CC[C@H]2CCCO2)c([O-])c1 ZINC000436842263 528058591 /nfs/dbraw/zinc/05/85/91/528058591.db2.gz UUJQIYQCNMCUNR-CQSZACIVSA-N -1 3 291.391 3.157 20 0 CGADHM CC(C)c1ccc(C(=O)N2CC[C@H](C3CC3)C2)c([O-])c1 ZINC000436918015 528064944 /nfs/dbraw/zinc/06/49/44/528064944.db2.gz ZQWKLHQQTVNQRZ-AWEZNQCLSA-N -1 3 273.376 3.388 20 0 CGADHM CC(C)c1ccc(C(=O)N[C@@H](C)c2cncs2)c([O-])c1 ZINC000436735646 528075864 /nfs/dbraw/zinc/07/58/64/528075864.db2.gz HESMUIOBVASBGA-JTQLQIEISA-N -1 3 290.388 3.463 20 0 CGADHM CC(C)c1ccc(C(=O)N[C@H](C)CC2CC2)c([O-])c1 ZINC000436971157 528077590 /nfs/dbraw/zinc/07/75/90/528077590.db2.gz HKZNDMVIBGYRGC-LLVKDONJSA-N -1 3 261.365 3.434 20 0 CGADHM CCCCOc1ccc(C(=O)N2CC[C@@H](C)C2)c([O-])c1 ZINC000436979623 528661260 /nfs/dbraw/zinc/66/12/60/528661260.db2.gz ZLVIYFFOOITKPW-GFCCVEGCSA-N -1 3 277.364 3.053 20 0 CGADHM CCCCOc1ccc(C(=O)N[C@H]2CCC[C@H]2F)c([O-])c1 ZINC000436774178 528667331 /nfs/dbraw/zinc/66/73/31/528667331.db2.gz SDVRYFQGDXUEHH-KGLIPLIRSA-N -1 3 295.354 3.192 20 0 CGADHM CCCc1csc(CN[C@@H](CC(=O)[O-])C(C)(C)C)n1 ZINC000417558000 528670274 /nfs/dbraw/zinc/67/02/74/528670274.db2.gz DFPKHNXJWIFWLN-NSHDSACASA-N -1 3 284.425 3.075 20 0 CGADHM CCCc1csc(NC(=O)c2ccc([O-])c(C)c2)n1 ZINC000436932888 528678377 /nfs/dbraw/zinc/67/83/77/528678377.db2.gz FOOBQAPKQTXGDN-UHFFFAOYSA-N -1 3 276.361 3.362 20 0 CGADHM CCC(CC)(CNCc1c(Cl)cccc1OC)C(=O)[O-] ZINC000424414216 528692870 /nfs/dbraw/zinc/69/28/70/528692870.db2.gz QIKGONPPOLWOSO-UHFFFAOYSA-N -1 3 299.798 3.329 20 0 CGADHM CC(C)N(C(=O)Cc1ccc([O-])c(F)c1)C1CCCC1 ZINC000448903725 528775545 /nfs/dbraw/zinc/77/55/45/528775545.db2.gz JEONDAXGXBFXQQ-UHFFFAOYSA-N -1 3 279.355 3.253 20 0 CGADHM CCC[C@@H](C)[C@H]1CCCN1C(=O)c1csc(=NCC)[n-]1 ZINC000427118738 528905775 /nfs/dbraw/zinc/90/57/75/528905775.db2.gz AVGUPJIGAQKCEJ-DGCLKSJQSA-N -1 3 295.452 3.038 20 0 CGADHM CC(C)[C@H](CNC(=O)c1ccc(O)cc1[O-])c1ccccc1 ZINC000436675344 529011386 /nfs/dbraw/zinc/01/13/86/529011386.db2.gz UQUANKVDTALJIP-INIZCTEOSA-N -1 3 299.370 3.267 20 0 CGADHM CCS[C@@H]1CCCC[C@H]1NC(=O)c1ccc([O-])c(C)c1 ZINC000436924396 529211372 /nfs/dbraw/zinc/21/13/72/529211372.db2.gz GRSKVSYPSRAZFX-UKRRQHHQSA-N -1 3 293.432 3.495 20 0 CGADHM CC[C@H]1CCCN1C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000436958428 529219931 /nfs/dbraw/zinc/21/99/31/529219931.db2.gz ATOYZJTZYUDFOJ-ZDUSSCGKSA-N -1 3 273.376 3.286 20 0 CGADHM CCS[C@H]1CCCC[C@@H]1NC(=O)c1ccccc1[O-] ZINC000436728992 529226518 /nfs/dbraw/zinc/22/65/18/529226518.db2.gz OWYKBCFLPVYCGX-JSGCOSHPSA-N -1 3 279.405 3.186 20 0 CGADHM CCS[C@H]1CCC[C@@H](NC(=O)c2ccccc2[O-])C1 ZINC000436727870 529229017 /nfs/dbraw/zinc/22/90/17/529229017.db2.gz DQHUPVKXEATLSU-NEPJUHHUSA-N -1 3 279.405 3.186 20 0 CGADHM CC[C@@H]1CCC[C@H](NC(=O)c2ccc(C(C)=O)c([O-])c2)C1 ZINC000412136098 529315504 /nfs/dbraw/zinc/31/55/04/529315504.db2.gz UKDITZNHGIBFAN-OCCSQVGLSA-N -1 3 289.375 3.293 20 0 CGADHM CCCC[C@H](C(=O)[O-])N(C)Cc1cc(Cl)ccc1OC ZINC000516479482 534960508 /nfs/dbraw/zinc/96/05/08/534960508.db2.gz MCOFGBOKJOGLPH-CYBMUJFWSA-N -1 3 299.798 3.424 20 0 CGADHM CCCc1csc([N-]C(=O)c2ncc(F)cc2F)n1 ZINC000190553343 535461100 /nfs/dbraw/zinc/46/11/00/535461100.db2.gz SJKPOGUVHLKBAL-UHFFFAOYSA-N -1 3 283.303 3.021 20 0 CGADHM CCc1cccc(C(=O)N2C[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)c1[O-] ZINC000517862833 535845299 /nfs/dbraw/zinc/84/52/99/535845299.db2.gz HLQCCBZTWARIGK-DZASIIFFSA-N -1 3 297.398 3.239 20 0 CGADHM CCc1cc(C(=O)Nc2ccc(F)c(F)c2)ccc1[O-] ZINC000485413420 536134646 /nfs/dbraw/zinc/13/46/46/536134646.db2.gz VMURLNPOKIYPNM-UHFFFAOYSA-N -1 3 277.270 3.485 20 0 CGADHM CCc1cc(=O)[n-]c(CSCc2ccccc2C)n1 ZINC000477361238 536154261 /nfs/dbraw/zinc/15/42/61/536154261.db2.gz ZMOZXQWGQOIUBW-UHFFFAOYSA-N -1 3 274.389 3.486 20 0 CGADHM CCc1ccc(C(=O)N(C)[C@H](C)c2ccccn2)c([O-])c1 ZINC000190554386 536164938 /nfs/dbraw/zinc/16/49/38/536164938.db2.gz QRAZCSSHJAGUAH-GFCCVEGCSA-N -1 3 284.359 3.183 20 0 CGADHM C[C@@H]1CSC[C@@H]1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000335896687 571771087 /nfs/dbraw/zinc/77/10/87/571771087.db2.gz VVRONFPVINGAPW-YGRLFVJLSA-N -1 3 287.384 3.027 20 0 CGADHM CC(C)CC[C@H]1CCC[C@@H]1[N-]C(=O)C(F)(F)F ZINC000729374212 571903370 /nfs/dbraw/zinc/90/33/70/571903370.db2.gz MWQQXBIOBKUSTK-ZJUUUORDSA-N -1 3 251.292 3.270 20 0 CGADHM CC(C)CC[C@@H]1CCC[C@@H]1[N-]C(=O)C(F)(F)F ZINC000729374210 571903342 /nfs/dbraw/zinc/90/33/42/571903342.db2.gz MWQQXBIOBKUSTK-UWVGGRQHSA-N -1 3 251.292 3.270 20 0 CGADHM C[C@H](N=c1ncnc2[nH][n-]cc1-2)c1csc2ccccc12 ZINC000729986689 571939522 /nfs/dbraw/zinc/93/95/22/571939522.db2.gz RDTYVHXYZQKUKG-VIFPVBQESA-N -1 3 295.371 3.114 20 0 CGADHM Cc1ccc2c(c1)[C@H](Nc1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000737372281 572339668 /nfs/dbraw/zinc/33/96/68/572339668.db2.gz WRZLZAOSRDWEPD-MRXNPFEDSA-N -1 3 291.358 3.275 20 0 CGADHM Cc1ccc2c(c1)[C@H](Nc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000737372281 572339669 /nfs/dbraw/zinc/33/96/69/572339669.db2.gz WRZLZAOSRDWEPD-MRXNPFEDSA-N -1 3 291.358 3.275 20 0 CGADHM Cc1cccc(C)c1COc1ccc(-c2nnn[n-]2)c(F)c1 ZINC000737391000 572339817 /nfs/dbraw/zinc/33/98/17/572339817.db2.gz VSVRWSNXQZTBPL-UHFFFAOYSA-N -1 3 298.321 3.202 20 0 CGADHM Cc1cccc(C)c1COc1ccc(-c2nn[n-]n2)c(F)c1 ZINC000737391000 572339821 /nfs/dbraw/zinc/33/98/21/572339821.db2.gz VSVRWSNXQZTBPL-UHFFFAOYSA-N -1 3 298.321 3.202 20 0 CGADHM Cc1cc(-n2cccn2)ccc1NC(=O)c1cccc([O-])c1 ZINC000191461438 572356716 /nfs/dbraw/zinc/35/67/16/572356716.db2.gz IDXMFMYNDIMAHY-UHFFFAOYSA-N -1 3 293.326 3.139 20 0 CGADHM c1ccc2c(c1)CC[C@@H]2CNc1ccc(-c2nnn[n-]2)cc1 ZINC000738435868 572375554 /nfs/dbraw/zinc/37/55/54/572375554.db2.gz CUTMNVFUDXZQQN-CQSZACIVSA-N -1 3 291.358 3.009 20 0 CGADHM c1ccc2c(c1)CC[C@@H]2CNc1ccc(-c2nn[n-]n2)cc1 ZINC000738435868 572375558 /nfs/dbraw/zinc/37/55/58/572375558.db2.gz CUTMNVFUDXZQQN-CQSZACIVSA-N -1 3 291.358 3.009 20 0 CGADHM C[C@@H]1C[C@H]1c1ccc(CNC2CCC(NC(=O)[O-])CC2)o1 ZINC000739087252 572402126 /nfs/dbraw/zinc/40/21/26/572402126.db2.gz HKALYRYNALNKSN-MLCFOIATSA-N -1 3 292.379 3.071 20 0 CGADHM O=C(OCc1ccccc1C(F)(F)F)c1cncc([O-])c1 ZINC000732390970 572461970 /nfs/dbraw/zinc/46/19/70/572461970.db2.gz CELXPUBOXVGGFX-UHFFFAOYSA-N -1 3 297.232 3.163 20 0 CGADHM Cc1cc(COC(=O)c2cncc([O-])c2)c2ccccc2n1 ZINC000745002874 572469865 /nfs/dbraw/zinc/46/98/65/572469865.db2.gz VXJBKQYIIDBGET-UHFFFAOYSA-N -1 3 294.310 3.001 20 0 CGADHM Cc1ccc([C@H](O)CNCc2ccc([O-])c(Cl)c2)cc1 ZINC000733325172 572555646 /nfs/dbraw/zinc/55/56/46/572555646.db2.gz BKLRDWSHJCOSNH-MRXNPFEDSA-N -1 3 291.778 3.177 20 0 CGADHM COc1cc(C=Cc2nccc(=O)[n-]2)ccc1SC ZINC000742220181 572559267 /nfs/dbraw/zinc/55/92/67/572559267.db2.gz KHFOCRYMAXZVGC-GQCTYLIASA-N -1 3 274.345 3.083 20 0 CGADHM O=C(O[C@@H]1C=CCCC1)c1cccc(Br)c1[O-] ZINC000733490040 572581352 /nfs/dbraw/zinc/58/13/52/572581352.db2.gz DDQATVJTVRSKPT-SECBINFHSA-N -1 3 297.148 3.420 20 0 CGADHM C[C@@]1(C(=O)[N-]OCc2ccccc2)CCc2ccccc2C1 ZINC000742489001 572588743 /nfs/dbraw/zinc/58/87/43/572588743.db2.gz IHVIQRVPTUBHJF-LJQANCHMSA-N -1 3 295.382 3.430 20 0 CGADHM CCCCC[C@@H](C)CC(=O)Nc1ncccc1[O-] ZINC000743292424 572646539 /nfs/dbraw/zinc/64/65/39/572646539.db2.gz YNJPDZRGMZUZTQ-LLVKDONJSA-N -1 3 250.342 3.332 20 0 CGADHM Cc1ccc(F)c(S(=O)(=O)[N-]C2[C@@H](C)CCC[C@@H]2C)c1 ZINC000735081020 572699771 /nfs/dbraw/zinc/69/97/71/572699771.db2.gz KFGACDZQQZEMOH-RYUDHWBXSA-N -1 3 299.411 3.237 20 0 CGADHM C[C@@H](OC(=O)c1ccc([O-])cc1O)c1ccc(F)cc1F ZINC000744498523 572759760 /nfs/dbraw/zinc/75/97/60/572759760.db2.gz VKKGCAGMGZUMBF-MRVPVSSYSA-N -1 3 294.253 3.294 20 0 CGADHM Cc1cc(-c2nnn[n-]2)ccc1OC/C=C/c1ccccc1 ZINC000737220716 572865915 /nfs/dbraw/zinc/86/59/15/572865915.db2.gz DULYYXZOFVVRDH-VMPITWQZSA-N -1 3 292.342 3.267 20 0 CGADHM Cc1cc(-c2nn[n-]n2)ccc1OC/C=C/c1ccccc1 ZINC000737220716 572865918 /nfs/dbraw/zinc/86/59/18/572865918.db2.gz DULYYXZOFVVRDH-VMPITWQZSA-N -1 3 292.342 3.267 20 0 CGADHM Cc1cccc([C@@H](C)Sc2cc(-c3nnn[n-]3)ccn2)c1 ZINC000822289344 599125257 /nfs/dbraw/zinc/12/52/57/599125257.db2.gz WDQFXNLWFOBFJE-LLVKDONJSA-N -1 3 297.387 3.423 20 0 CGADHM Cc1cccc([C@@H](C)Sc2cc(-c3nn[n-]n3)ccn2)c1 ZINC000822289344 599125258 /nfs/dbraw/zinc/12/52/58/599125258.db2.gz WDQFXNLWFOBFJE-LLVKDONJSA-N -1 3 297.387 3.423 20 0 CGADHM CCOCCCS[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821377460 599224729 /nfs/dbraw/zinc/22/47/29/599224729.db2.gz CJAWAWOLRRYQFH-NSHDSACASA-N -1 3 292.408 3.088 20 0 CGADHM CCOCCCS[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821377460 599224730 /nfs/dbraw/zinc/22/47/30/599224730.db2.gz CJAWAWOLRRYQFH-NSHDSACASA-N -1 3 292.408 3.088 20 0 CGADHM O=C([O-])c1ccc(CN[C@H]2CSCc3ccccc32)cc1 ZINC000819676060 597247063 /nfs/dbraw/zinc/24/70/63/597247063.db2.gz GRTAEPGYPBMOSW-INIZCTEOSA-N -1 3 299.395 3.463 20 0 CGADHM Cc1nc(C)c([C@@H](C)NCc2cccc(C(=O)[O-])c2)s1 ZINC000235215531 598192269 /nfs/dbraw/zinc/19/22/69/598192269.db2.gz JXITUGMDXLGAJQ-SECBINFHSA-N -1 3 290.388 3.309 20 0 CGADHM Cc1cc(CNCc2cccc(C(=O)[O-])c2)c(C)s1 ZINC000820976858 598194452 /nfs/dbraw/zinc/19/44/52/598194452.db2.gz UGIGFCSQMDHQOC-UHFFFAOYSA-N -1 3 275.373 3.353 20 0 CGADHM Clc1ccc(N2Cc3ccccc3C2)c(-c2nn[n-]n2)c1 ZINC000737575427 598363496 /nfs/dbraw/zinc/36/34/96/598363496.db2.gz UPDCIAAYDRNIOY-UHFFFAOYSA-N -1 3 297.749 3.040 20 0 CGADHM Clc1ccc(N2Cc3ccccc3C2)c(-c2nnn[n-]2)c1 ZINC000737575427 598363494 /nfs/dbraw/zinc/36/34/94/598363494.db2.gz UPDCIAAYDRNIOY-UHFFFAOYSA-N -1 3 297.749 3.040 20 0 CGADHM C/C(=C\CN1CCCC[C@@H]1c1ccc(C)o1)C(=O)[O-] ZINC000825740724 601171798 /nfs/dbraw/zinc/17/17/98/601171798.db2.gz AKRVWNJLIPTLNJ-RUNBWSAHSA-N -1 3 263.337 3.146 20 0 CGADHM COc1ccccc1CSc1ccccc1-c1nnn[n-]1 ZINC000821898082 599347976 /nfs/dbraw/zinc/34/79/76/599347976.db2.gz MKDXEKFELBHPSW-UHFFFAOYSA-N -1 3 298.371 3.168 20 0 CGADHM COc1ccccc1CSc1ccccc1-c1nn[n-]n1 ZINC000821898082 599347978 /nfs/dbraw/zinc/34/79/78/599347978.db2.gz MKDXEKFELBHPSW-UHFFFAOYSA-N -1 3 298.371 3.168 20 0 CGADHM Cc1cc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)ccc1F ZINC000822209658 599374492 /nfs/dbraw/zinc/37/44/92/599374492.db2.gz QTOSVOYOPYKZNO-NSHDSACASA-N -1 3 297.337 3.487 20 0 CGADHM Cc1cc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)ccc1F ZINC000822209658 599374494 /nfs/dbraw/zinc/37/44/94/599374494.db2.gz QTOSVOYOPYKZNO-NSHDSACASA-N -1 3 297.337 3.487 20 0 CGADHM CC(C)[C@@H](C)CNc1c(Cl)cccc1-c1nn[n-]n1 ZINC000820015914 599565829 /nfs/dbraw/zinc/56/58/29/599565829.db2.gz IACGKGZDXMWZGA-VIFPVBQESA-N -1 3 279.775 3.224 20 0 CGADHM CC(C)[C@@H](C)CNc1c(Cl)cccc1-c1nnn[n-]1 ZINC000820015914 599565828 /nfs/dbraw/zinc/56/58/28/599565828.db2.gz IACGKGZDXMWZGA-VIFPVBQESA-N -1 3 279.775 3.224 20 0 CGADHM CCC[C@@](C)(NCc1c(F)cccc1Cl)C(=O)[O-] ZINC000036809002 600151551 /nfs/dbraw/zinc/15/15/51/600151551.db2.gz LIQGVYIEXFZTMR-CYBMUJFWSA-N -1 3 273.735 3.212 20 0 CGADHM CCC[C@@](C)(NCc1csc(-c2ccco2)n1)C(=O)[O-] ZINC000036808101 600505265 /nfs/dbraw/zinc/50/52/65/600505265.db2.gz AGRIPNPNIGKJFE-CQSZACIVSA-N -1 3 294.376 3.136 20 0 CGADHM CCc1ccc([C@H]2CCCN2C/C=C(\C)C(=O)[O-])o1 ZINC000830239130 601169133 /nfs/dbraw/zinc/16/91/33/601169133.db2.gz WMRMRMPMVVQKIG-RUNBWSAHSA-N -1 3 263.337 3.010 20 0 CGADHM O=C([O-])c1ccc(CN2CCCc3ccccc3C2)cc1F ZINC000318518358 601632756 /nfs/dbraw/zinc/63/27/56/601632756.db2.gz ZWUGKGCFHBKUIW-UHFFFAOYSA-N -1 3 299.345 3.472 20 0 CGADHM Cc1ccc([C@@H](C)NCc2ccc(NC(=O)[O-])nc2)s1 ZINC000830256030 603542633 /nfs/dbraw/zinc/54/26/33/603542633.db2.gz GKYTVHNZZRTQMY-SNVBAGLBSA-N -1 3 291.376 3.392 20 0 CGADHM FC(F)(F)CCCCNc1cccc(-c2nnn[n-]2)c1 ZINC000826367994 607685088 /nfs/dbraw/zinc/68/50/88/607685088.db2.gz XSUDHJDTGHTMFC-UHFFFAOYSA-N -1 3 285.273 3.011 20 0 CGADHM FC(F)(F)CCCCNc1cccc(-c2nn[n-]n2)c1 ZINC000826367994 607685090 /nfs/dbraw/zinc/68/50/90/607685090.db2.gz XSUDHJDTGHTMFC-UHFFFAOYSA-N -1 3 285.273 3.011 20 0 CGADHM O=C([O-])CC1(NCc2nc(Cl)cs2)CCCCC1 ZINC000901498748 620901824 /nfs/dbraw/zinc/90/18/24/620901824.db2.gz NBNQAHSQYFYZPZ-UHFFFAOYSA-N -1 3 288.800 3.064 20 0 CGADHM C/C(=C/CN1[C@H](C)Cc2cc(F)ccc2[C@@H]1C)C(=O)[O-] ZINC000833384671 604721516 /nfs/dbraw/zinc/72/15/16/604721516.db2.gz SUDGVKIXOLALHO-LIPIYFLUSA-N -1 3 277.339 3.164 20 0 CGADHM CC(C)N(Cc1ccccn1)Cc1ccccc1CC(=O)[O-] ZINC000833497748 605064375 /nfs/dbraw/zinc/06/43/75/605064375.db2.gz HBASGCYNXGZZHT-UHFFFAOYSA-N -1 3 298.386 3.119 20 0 CGADHM CC(C)(NCc1ccc(C(=O)[O-])[nH]1)c1ccc(F)c(F)c1 ZINC000833461153 605116916 /nfs/dbraw/zinc/11/69/16/605116916.db2.gz PFWSLUXLLJCECR-UHFFFAOYSA-N -1 3 294.301 3.016 20 0 CGADHM O=C([O-])Nc1cccc(CN2CCC(C(F)F)CC2)c1 ZINC000834269311 605603439 /nfs/dbraw/zinc/60/34/39/605603439.db2.gz SHWXGUTZCHKCNS-UHFFFAOYSA-N -1 3 284.306 3.254 20 0 CGADHM O=C([O-])N[C@@H]1C[C@H](NCc2ccsc2)c2ccccc21 ZINC000834156476 605791860 /nfs/dbraw/zinc/79/18/60/605791860.db2.gz AKNDCVGHIXTLBM-UONOGXRCSA-N -1 3 288.372 3.291 20 0 CGADHM O=C([O-])NC1CCN([C@H]2CCc3c2cccc3Cl)CC1 ZINC000834183476 605872958 /nfs/dbraw/zinc/87/29/58/605872958.db2.gz OKWKASUSRNVOGM-AWEZNQCLSA-N -1 3 294.782 3.059 20 0 CGADHM C[C@H](Sc1ccccc1O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820555865 606171715 /nfs/dbraw/zinc/17/17/15/606171715.db2.gz QKMKOGXEMRAHOQ-JTQLQIEISA-N -1 3 298.371 3.426 20 0 CGADHM C[C@H](Sc1ccccc1O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820555865 606171717 /nfs/dbraw/zinc/17/17/17/606171717.db2.gz QKMKOGXEMRAHOQ-JTQLQIEISA-N -1 3 298.371 3.426 20 0 CGADHM Cc1ccc(NCc2cc(-c3nnn[n-]3)cs2)cc1C ZINC000822255398 606213923 /nfs/dbraw/zinc/21/39/23/606213923.db2.gz ZZLHBPLECOVAJV-UHFFFAOYSA-N -1 3 285.376 3.157 20 0 CGADHM Cc1ccc(NCc2cc(-c3nn[n-]n3)cs2)cc1C ZINC000822255398 606213924 /nfs/dbraw/zinc/21/39/24/606213924.db2.gz ZZLHBPLECOVAJV-UHFFFAOYSA-N -1 3 285.376 3.157 20 0 CGADHM CCc1ccccc1NCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821496898 606925149 /nfs/dbraw/zinc/92/51/49/606925149.db2.gz KZYBLCXERLZITC-UHFFFAOYSA-N -1 3 297.337 3.180 20 0 CGADHM CCc1ccccc1NCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821496898 606925150 /nfs/dbraw/zinc/92/51/50/606925150.db2.gz KZYBLCXERLZITC-UHFFFAOYSA-N -1 3 297.337 3.180 20 0 CGADHM Fc1c(CSc2ccccc2)cccc1-c1nnn[n-]1 ZINC000826370952 608394583 /nfs/dbraw/zinc/39/45/83/608394583.db2.gz MTPBRYCMLYYLPR-UHFFFAOYSA-N -1 3 286.335 3.298 20 0 CGADHM Fc1c(CSc2ccccc2)cccc1-c1nn[n-]n1 ZINC000826370952 608394585 /nfs/dbraw/zinc/39/45/85/608394585.db2.gz MTPBRYCMLYYLPR-UHFFFAOYSA-N -1 3 286.335 3.298 20 0 CGADHM Cc1ccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c(F)c1 ZINC000826291555 609253850 /nfs/dbraw/zinc/25/38/50/609253850.db2.gz LKKUTMZGAZCOSP-NSHDSACASA-N -1 3 297.337 3.487 20 0 CGADHM Cc1ccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c(F)c1 ZINC000826291555 609253851 /nfs/dbraw/zinc/25/38/51/609253851.db2.gz LKKUTMZGAZCOSP-NSHDSACASA-N -1 3 297.337 3.487 20 0 CGADHM Fc1cccc(CCCOc2ccccc2-c2nnn[n-]2)c1 ZINC000826376818 609415684 /nfs/dbraw/zinc/41/56/84/609415684.db2.gz TXZLOSWUFTVECE-UHFFFAOYSA-N -1 3 298.321 3.017 20 0 CGADHM Fc1cccc(CCCOc2ccccc2-c2nn[n-]n2)c1 ZINC000826376818 609415686 /nfs/dbraw/zinc/41/56/86/609415686.db2.gz TXZLOSWUFTVECE-UHFFFAOYSA-N -1 3 298.321 3.017 20 0 CGADHM Cc1ccsc1CNc1cc(-c2nn[n-]n2)ccc1C ZINC000826278610 609479282 /nfs/dbraw/zinc/47/92/82/609479282.db2.gz LNVWUOQOKVHWPY-UHFFFAOYSA-N -1 3 285.376 3.157 20 0 CGADHM Cc1ccsc1CNc1cc(-c2nnn[n-]2)ccc1C ZINC000826278610 609479280 /nfs/dbraw/zinc/47/92/80/609479280.db2.gz LNVWUOQOKVHWPY-UHFFFAOYSA-N -1 3 285.376 3.157 20 0 CGADHM CC(C)CN(C)Cn1c(Cc2cccs2)n[n-]c1=S ZINC000049516197 617613658 /nfs/dbraw/zinc/61/36/58/617613658.db2.gz AJNNZDYFBWVGQU-UHFFFAOYSA-N -1 3 296.465 3.138 20 0 CGADHM Cc1cnc(CNC[C@H](C(=O)[O-])C2CCCCCC2)s1 ZINC000900048281 620752892 /nfs/dbraw/zinc/75/28/92/620752892.db2.gz FKBOFTHAALMONT-ZDUSSCGKSA-N -1 3 296.436 3.212 20 0 CGADHM CC(C)C[C@](C)(CNCc1nc2ccccc2o1)C(=O)[O-] ZINC000900053315 620753359 /nfs/dbraw/zinc/75/33/59/620753359.db2.gz FHIUOTGKAHKWHZ-MRXNPFEDSA-N -1 3 290.363 3.054 20 0 CGADHM Cc1cccc(C(=O)Nc2ccc(F)c([C@@H](C)O)c2)c1[O-] ZINC000804800051 617845254 /nfs/dbraw/zinc/84/52/54/617845254.db2.gz LYZCQRWDOPKCML-SNVBAGLBSA-N -1 3 289.306 3.145 20 0 CGADHM CC(C)[S@@](C)(=O)=NC(=O)c1cc([O-])c2ccccc2c1 ZINC000926058961 617957993 /nfs/dbraw/zinc/95/79/93/617957993.db2.gz WSLOCGCFMJNIEV-HXUWFJFHSA-N -1 3 291.372 3.192 20 0 CGADHM O=c1cc(N2CCC[C@H]2c2nc3ccccc3s2)nc[n-]1 ZINC000891475056 618230310 /nfs/dbraw/zinc/23/03/10/618230310.db2.gz CLGVSHOOPDTXBV-NSHDSACASA-N -1 3 298.371 3.133 20 0 CGADHM COCc1nc(N[C@H](C)c2ccc(Cl)cc2)cc(=O)[n-]1 ZINC000891496214 618232713 /nfs/dbraw/zinc/23/27/13/618232713.db2.gz XJHVKTDSXYJBNM-SECBINFHSA-N -1 3 293.754 3.155 20 0 CGADHM CCCc1ccccc1C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000892153285 618560118 /nfs/dbraw/zinc/56/01/18/618560118.db2.gz NRWVTYFBSUQVBC-UHFFFAOYSA-N -1 3 298.268 3.028 20 0 CGADHM CCCc1ccccc1C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000892153285 618560120 /nfs/dbraw/zinc/56/01/20/618560120.db2.gz NRWVTYFBSUQVBC-UHFFFAOYSA-N -1 3 298.268 3.028 20 0 CGADHM O=C(/C=C\c1ccco1)Nc1ccc(Cl)cc1[O-] ZINC000255514153 618639594 /nfs/dbraw/zinc/63/95/94/618639594.db2.gz GDZTWJIVLYHSEF-XQRVVYSFSA-N -1 3 263.680 3.291 20 0 CGADHM CCn1ccnc1[C@H](C)N[C@@H](C)c1cc([O-])cc(F)c1 ZINC000926533157 618727782 /nfs/dbraw/zinc/72/77/82/618727782.db2.gz OMYPRJBEBDZTON-QWRGUYRKSA-N -1 3 277.343 3.160 20 0 CGADHM O=C(NCCC1CC1)c1cc([O-])c2ccccc2c1 ZINC000280363511 618760887 /nfs/dbraw/zinc/76/08/87/618760887.db2.gz LMFPIGODEQWNKW-UHFFFAOYSA-N -1 3 255.317 3.075 20 0 CGADHM CC(C)(C)SCCCC(=O)Nc1ccncc1[O-] ZINC000151572635 618807095 /nfs/dbraw/zinc/80/70/95/618807095.db2.gz NDTATJDDDVIMLJ-UHFFFAOYSA-N -1 3 268.382 3.038 20 0 CGADHM Cc1cc(NC(=O)c2cc([O-])ccc2Cl)ccc1O ZINC000235877949 618831461 /nfs/dbraw/zinc/83/14/61/618831461.db2.gz RTRRJGHRHNMIRW-UHFFFAOYSA-N -1 3 277.707 3.312 20 0 CGADHM CCCOC(=O)c1cccc2[n-]c(C(F)F)nc21 ZINC000924085485 618931585 /nfs/dbraw/zinc/93/15/85/618931585.db2.gz HNHJNIQCJPVLFR-UHFFFAOYSA-N -1 3 254.236 3.067 20 0 CGADHM COc1cccc(C[C@H](C)CC(=O)[N-]OC/C=C/Cl)c1 ZINC000936059663 618932927 /nfs/dbraw/zinc/93/29/27/618932927.db2.gz NTLBQHOBGTWPBQ-NTYUQYKDSA-N -1 3 297.782 3.064 20 0 CGADHM COc1ccc(C(=O)NC2CCCCCCC2)c([O-])c1 ZINC000019996271 618975048 /nfs/dbraw/zinc/97/50/48/618975048.db2.gz PZNLLFWDSFGIRI-UHFFFAOYSA-N -1 3 277.364 3.244 20 0 CGADHM O=C(OCCOC1CC1)c1cc2cc(Cl)sc2[n-]1 ZINC000893679700 619277533 /nfs/dbraw/zinc/27/75/33/619277533.db2.gz VCXGHNRCPJTCDK-UHFFFAOYSA-N -1 3 285.752 3.219 20 0 CGADHM Cc1ccc(CN(CCC(=O)[O-])C2CC2)c(Cl)c1 ZINC000235862243 619302760 /nfs/dbraw/zinc/30/27/60/619302760.db2.gz BGUFOWSVCGGOOC-UHFFFAOYSA-N -1 3 267.756 3.088 20 0 CGADHM O=c1ccnc(C=Cc2ccc(F)c(C(F)(F)F)c2)[n-]1 ZINC000121280651 619788707 /nfs/dbraw/zinc/78/87/07/619788707.db2.gz SXZMACFWXDACLJ-DUXPYHPUSA-N -1 3 284.212 3.098 20 0 CGADHM C[C@H](CC(=O)[N-]OCc1ccccn1)C1CCCCC1 ZINC000909530889 619931523 /nfs/dbraw/zinc/93/15/23/619931523.db2.gz UKIPAZWPOWPWMR-CYBMUJFWSA-N -1 3 276.380 3.236 20 0 CGADHM CC(C)(C(=O)[N-]OCc1ccccn1)C1CCCCC1 ZINC000909543277 620084936 /nfs/dbraw/zinc/08/49/36/620084936.db2.gz FXELASCHYXEBGH-UHFFFAOYSA-N -1 3 276.380 3.236 20 0 CGADHM Cn1c(Cl)cnc1C=Cc1cc(=O)[n-]c(C(C)(C)C)n1 ZINC000840719032 620182826 /nfs/dbraw/zinc/18/28/26/620182826.db2.gz HTMICIKDILZNLV-AATRIKPKSA-N -1 3 292.770 3.037 20 0 CGADHM C/C(=C/Cl)CS[C@@H](C)c1nc(C)cc(=O)[n-]1 ZINC000797813927 620230856 /nfs/dbraw/zinc/23/08/56/620230856.db2.gz OUDKHGNSQNSUJA-PGBBXKAQSA-N -1 3 258.774 3.427 20 0 CGADHM CC1(C)CO[C@H](CC(=O)Nc2c([O-])cccc2Cl)C1 ZINC000897847214 620439079 /nfs/dbraw/zinc/43/90/79/620439079.db2.gz UMXKGCRRBOIDGU-SECBINFHSA-N -1 3 283.755 3.189 20 0 CGADHM C[C@@]1(CC(=O)[N-]Oc2ccc(F)cc2)CC1(Cl)Cl ZINC000898576292 620597307 /nfs/dbraw/zinc/59/73/07/620597307.db2.gz LDIVBJTUGONMCT-LLVKDONJSA-N -1 3 292.137 3.210 20 0 CGADHM CC(C)[C@H]1C[C@@H](NCc2ccc(C(=O)[O-])cc2F)CS1 ZINC000901754114 621012588 /nfs/dbraw/zinc/01/25/88/621012588.db2.gz APGBBZGPRYIMOL-TZMCWYRMSA-N -1 3 297.395 3.144 20 0 CGADHM CC(C)[C@](C)(CC(=O)[O-])NCc1csc(C(C)(C)C)n1 ZINC000901816714 621030096 /nfs/dbraw/zinc/03/00/96/621030096.db2.gz JDFKCRAQPXDERD-HNNXBMFYSA-N -1 3 298.452 3.420 20 0 CGADHM C[C@@H]1CCN(Cc2cc(F)cc(Cl)c2)[C@H](C(=O)[O-])C1 ZINC000902015954 621102068 /nfs/dbraw/zinc/10/20/68/621102068.db2.gz KVJUBNJWYCPSQJ-RNCFNFMXSA-N -1 3 285.746 3.164 20 0 CGADHM CCCc1ccc(CN2CC[C@H](C)C[C@H]2C(=O)[O-])s1 ZINC000902016149 621102824 /nfs/dbraw/zinc/10/28/24/621102824.db2.gz KRKMFIVMLATQBZ-FZMZJTMJSA-N -1 3 281.421 3.386 20 0 CGADHM CC(C)[C@H](NCc1cccc(C(=O)[O-])n1)c1ccccc1 ZINC000902083303 621129777 /nfs/dbraw/zinc/12/97/77/621129777.db2.gz VOZOKNCDPVBQPP-INIZCTEOSA-N -1 3 284.359 3.267 20 0 CGADHM O=C([O-])c1occc1CN[C@@H]1CCc2cc(Cl)ccc21 ZINC000902173606 621185010 /nfs/dbraw/zinc/18/50/10/621185010.db2.gz WDBSMVPBHMZXBF-CYBMUJFWSA-N -1 3 291.734 3.408 20 0 CGADHM C[C@H]1CCc2ccccc2[C@@H]1NCc1cccc(C(=O)[O-])n1 ZINC000902337292 621272823 /nfs/dbraw/zinc/27/28/23/621272823.db2.gz LPIMYUVIDCWALG-YVEFUNNKSA-N -1 3 296.370 3.193 20 0 CGADHM CC(C)c1cccc(CNCc2ccoc2C(=O)[O-])c1 ZINC000902354884 621285813 /nfs/dbraw/zinc/28/58/13/621285813.db2.gz NDVDXTGJVXMFMM-UHFFFAOYSA-N -1 3 273.332 3.391 20 0 CGADHM Cc1cccc(C2(NCc3ccoc3C(=O)[O-])CCC2)c1 ZINC000902444944 621322458 /nfs/dbraw/zinc/32/24/58/621322458.db2.gz RNHVSRHXUYKOSL-UHFFFAOYSA-N -1 3 285.343 3.455 20 0 CGADHM CC1(NCc2ccc(C(=O)[O-])c(Cl)c2)CC(F)(F)C1 ZINC000902444536 621322580 /nfs/dbraw/zinc/32/25/80/621322580.db2.gz JDMCJJGCIUYYJT-UHFFFAOYSA-N -1 3 289.709 3.316 20 0 CGADHM CCCCN(C)Cc1occ(C(F)(F)F)c1C(=O)[O-] ZINC000903881992 621826308 /nfs/dbraw/zinc/82/63/08/621826308.db2.gz LIZGQZLSSRLMKV-UHFFFAOYSA-N -1 3 279.258 3.229 20 0 CGADHM CC(C)(C)CCCN1CCOc2cc(C(=O)[O-])ccc2C1 ZINC000903958627 621837079 /nfs/dbraw/zinc/83/70/79/621837079.db2.gz GZKAMPWENMTYCW-UHFFFAOYSA-N -1 3 291.391 3.406 20 0 CGADHM O=C([O-])c1ccccc1CCN(Cc1ccoc1)C1CC1 ZINC000903946605 621839855 /nfs/dbraw/zinc/83/98/55/621839855.db2.gz KTBDLMHQSIADNL-UHFFFAOYSA-N -1 3 285.343 3.185 20 0 CGADHM CCc1ccccc1[C@H](CC(=O)[O-])NCc1ccncc1C ZINC000904031771 621855953 /nfs/dbraw/zinc/85/59/53/621855953.db2.gz KDIUDSCPWMWJFA-KRWDZBQOSA-N -1 3 298.386 3.258 20 0 CGADHM CC[C@H](C)NC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000905019635 622028806 /nfs/dbraw/zinc/02/88/06/622028806.db2.gz ZAHHNCJOBYKQAJ-QMMMGPOBSA-N -1 3 299.396 3.018 20 0 CGADHM COc1cccc(CN2CCCC[C@@H]2CCC(=O)[O-])c1F ZINC000166017531 622871651 /nfs/dbraw/zinc/87/16/51/622871651.db2.gz SYWQWHRUWOSYDB-CYBMUJFWSA-N -1 3 295.354 3.054 20 0 CGADHM O=C(CCCc1ccccc1)[N-]OCc1ccccc1 ZINC000046574925 622993313 /nfs/dbraw/zinc/99/33/13/622993313.db2.gz COHKEBSVFNZNTO-UHFFFAOYSA-N -1 3 269.344 3.257 20 0 CGADHM O=C(c1cc([O-])ccc1Cl)N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000311781063 623465819 /nfs/dbraw/zinc/46/58/19/623465819.db2.gz YMLBUTAXHZDKSY-PHIMTYICSA-N -1 3 277.751 3.084 20 0 CGADHM C[C@H](CCc1ccco1)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC000314982755 623665731 /nfs/dbraw/zinc/66/57/31/623665731.db2.gz PHKOBWLNZRMGQP-NXEZZACHSA-N -1 3 294.376 3.106 20 0 CGADHM CC(C)=CCOc1cccc(CC(=O)[N-]OC2CCC2)c1 ZINC000841441145 623739065 /nfs/dbraw/zinc/73/90/65/623739065.db2.gz IEGXDNXDGNGWGE-UHFFFAOYSA-N -1 3 289.375 3.174 20 0 CGADHM CCC[C@@H](C)c1noc(-c2cccc(OC)c2[O-])n1 ZINC000761832098 623765191 /nfs/dbraw/zinc/76/51/91/623765191.db2.gz FBQMLECZQIYTOC-SECBINFHSA-N -1 3 262.309 3.354 20 0 CGADHM C[C@@H]1CCCC[C@H]1OCCOC(=O)c1ccc([O-])cc1 ZINC000915370306 623962497 /nfs/dbraw/zinc/96/24/97/623962497.db2.gz YBGMRTQAIUSKMS-IUODEOHRSA-N -1 3 278.348 3.144 20 0 CGADHM O=C(c1cc2sccc2c([O-])c1)N1CC[C@@H](CF)C1 ZINC000916110470 624114037 /nfs/dbraw/zinc/11/40/37/624114037.db2.gz UVIFJFCKZJDTBJ-VIFPVBQESA-N -1 3 279.336 3.039 20 0 CGADHM CC(C)C[C@@H](C)OCCC(=O)[N-]OCc1ccc(F)cc1 ZINC000184254344 625216249 /nfs/dbraw/zinc/21/62/49/625216249.db2.gz OCFLECLRPNMGOS-CYBMUJFWSA-N -1 3 297.370 3.215 20 0 CGADHM [O-]c1ccc(CNc2ccc(Cl)cn2)cc1F ZINC000078665835 625974621 /nfs/dbraw/zinc/97/46/21/625974621.db2.gz QVIJITXSRFYYCJ-UHFFFAOYSA-N -1 3 252.676 3.192 20 0 CGADHM CC[C@]1(C(=O)[O-])CCCN(Cc2cc(O)ccc2Cl)C1 ZINC000923468822 626156083 /nfs/dbraw/zinc/15/60/83/626156083.db2.gz FJEXNIIGZGMAEY-HNNXBMFYSA-N -1 3 297.782 3.122 20 0 CGADHM COCCCO[N-]C(=O)C[C@H](C)c1ccc(C(C)C)cc1 ZINC000805040062 626450732 /nfs/dbraw/zinc/45/07/32/626450732.db2.gz OXSUZRYOUBFTBM-AWEZNQCLSA-N -1 3 293.407 3.388 20 0 CGADHM C/C(=C\c1ccccc1Cl)C(=O)[N-]OCC(F)(F)F ZINC000756005559 626668749 /nfs/dbraw/zinc/66/87/49/626668749.db2.gz OJAAZJZABHLJSQ-SOFGYWHQSA-N -1 3 293.672 3.353 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)[C@@]1(C)C[C@@H]1c1ccccc1 ZINC000839777045 626787307 /nfs/dbraw/zinc/78/73/07/626787307.db2.gz QIYWXZYVIIRHQU-BJJXKVORSA-N -1 3 261.365 3.274 20 0 CGADHM Cc1ccc(C(=O)Nc2cccc(C(C)(C)O)c2)c([O-])c1C ZINC000760893608 627000630 /nfs/dbraw/zinc/00/06/30/627000630.db2.gz XBTLUVDUOKYVJC-UHFFFAOYSA-N -1 3 299.370 3.489 20 0 CGADHM CC(C)c1ccc(C(=O)N[C@@H](C)c2ccc[nH]2)c([O-])c1 ZINC000760960707 627006245 /nfs/dbraw/zinc/00/62/45/627006245.db2.gz NWCZDXGUYYPQLR-NSHDSACASA-N -1 3 272.348 3.335 20 0 CGADHM O=C(Oc1ccc2nccnc2c1)c1cc2ccsc2[n-]1 ZINC000761022260 627008845 /nfs/dbraw/zinc/00/88/45/627008845.db2.gz IXWASFISBXLSPQ-UHFFFAOYSA-N -1 3 295.323 3.392 20 0 CGADHM C[C@@H]1CCc2ccccc2[C@@H]1[N-]C(=O)C(F)(F)C(F)F ZINC000762720225 627121988 /nfs/dbraw/zinc/12/19/88/627121988.db2.gz BIKBWSFKDLRICY-LDYMZIIASA-N -1 3 289.272 3.327 20 0 CGADHM CCc1onc(C)c1[N-]C(=O)c1nc(Cl)sc1C ZINC000762899014 627131132 /nfs/dbraw/zinc/13/11/32/627131132.db2.gz LFXXPDFQKRVQLK-UHFFFAOYSA-N -1 3 285.756 3.216 20 0 CGADHM Cc1ccc(-c2nc(NC(=O)C=C3CC[C@@H](C)C3)n[n-]2)o1 ZINC000764344035 627203773 /nfs/dbraw/zinc/20/37/73/627203773.db2.gz ZQBNLTNHPIKYNM-LZUGORFDSA-N -1 3 286.335 3.058 20 0 CGADHM CC(C)COc1ccc(C=Cc2nccc(=O)[n-]2)cc1 ZINC000764436833 627207464 /nfs/dbraw/zinc/20/74/64/627207464.db2.gz UGWBPYIUCHPVQS-YVMONPNESA-N -1 3 270.332 3.387 20 0 CGADHM CC(C)c1ccc(C[C@@H](C)[N-]C(=O)C(F)(F)F)cc1 ZINC000767145763 627385031 /nfs/dbraw/zinc/38/50/31/627385031.db2.gz ZCSOPWJKVFCZGS-SNVBAGLBSA-N -1 3 273.298 3.420 20 0 CGADHM CC(C)c1nsc([N-]C(=O)c2scnc2C2CC2)n1 ZINC000874695811 634594611 /nfs/dbraw/zinc/59/46/11/634594611.db2.gz NSUVWJNWKNTWPZ-UHFFFAOYSA-N -1 3 294.405 3.248 20 0 CGADHM Cc1ccc(COC(=O)c2cncc([O-])c2)c(Cl)c1 ZINC000773424476 627882473 /nfs/dbraw/zinc/88/24/73/627882473.db2.gz CAOGUYSHIKIGAR-UHFFFAOYSA-N -1 3 277.707 3.106 20 0 CGADHM Cc1ccc2c(CC(=O)[N-]OC3CCCC3)c[nH]c2c1 ZINC000774862846 628042879 /nfs/dbraw/zinc/04/28/79/628042879.db2.gz GTNIDAPPPDZEQG-UHFFFAOYSA-N -1 3 272.348 3.009 20 0 CGADHM COc1ccccc1OC(=O)c1cccc(Cl)c1[O-] ZINC000775646971 628119137 /nfs/dbraw/zinc/11/91/37/628119137.db2.gz OATXPXNESQPIEB-UHFFFAOYSA-N -1 3 278.691 3.273 20 0 CGADHM Cc1ncc(COC(=O)c2cccc(Cl)c2[O-])s1 ZINC000775928307 628148129 /nfs/dbraw/zinc/14/81/29/628148129.db2.gz BNZMDZUQHPBTJD-UHFFFAOYSA-N -1 3 283.736 3.168 20 0 CGADHM Cc1cc(C(=O)Nc2cccc([O-])c2F)cc(Cl)n1 ZINC000779037014 628384583 /nfs/dbraw/zinc/38/45/83/628384583.db2.gz AJXZDDSJNMSJHD-UHFFFAOYSA-N -1 3 280.686 3.140 20 0 CGADHM O=C1[N-]C(=O)C(=Cc2cc(Cl)sc2Cl)S1 ZINC000874930193 634655370 /nfs/dbraw/zinc/65/53/70/634655370.db2.gz YAFWFTKHGUGSKH-DAFODLJHSA-N -1 3 280.157 3.379 20 0 CGADHM Cc1cncc(COC(=O)c2cc(Cl)c(Cl)[n-]2)c1 ZINC000785655200 628878104 /nfs/dbraw/zinc/87/81/04/628878104.db2.gz ARRMRSGKKUNAFG-UHFFFAOYSA-N -1 3 285.130 3.382 20 0 CGADHM Cc1cc(CN[C@@H](CC(=O)[O-])c2cccs2)c(C)o1 ZINC000789898094 629173063 /nfs/dbraw/zinc/17/30/63/629173063.db2.gz UDAPHUYIPRRPED-LBPRGKRZSA-N -1 3 279.361 3.264 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)N2Cc3ccccc3[C@H](C)C2)n1 ZINC000790267111 629198513 /nfs/dbraw/zinc/19/85/13/629198513.db2.gz LGHCNFPYTBNQGM-DGCLKSJQSA-N -1 3 283.375 3.171 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2cccc3ocnc32)c1 ZINC000791002325 629248368 /nfs/dbraw/zinc/24/83/68/629248368.db2.gz IBMALOHCTXKZCV-UHFFFAOYSA-N -1 3 268.272 3.094 20 0 CGADHM Cc1ccc(C(F)(F)C(=O)[N-]C(C)(C)C(F)F)cc1 ZINC000792593640 629369779 /nfs/dbraw/zinc/36/97/79/629369779.db2.gz CNAHVCZZIQAYNX-UHFFFAOYSA-N -1 3 277.261 3.247 20 0 CGADHM C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000863001509 629457154 /nfs/dbraw/zinc/45/71/54/629457154.db2.gz HCVDYFFMTYEOKA-PXDYOCJYSA-N -1 3 299.370 3.087 20 0 CGADHM O=C(c1ccccc1[O-])N1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000863251859 629511788 /nfs/dbraw/zinc/51/17/88/629511788.db2.gz PRTKVVAANVJQIV-BHYGNILZSA-N -1 3 293.366 3.268 20 0 CGADHM Cc1nn(C(C)C)c(C)c1CC(=O)[N-]OC1CCCCC1 ZINC000794437692 629543204 /nfs/dbraw/zinc/54/32/04/629543204.db2.gz RNNWHBPHVCLACB-UHFFFAOYSA-N -1 3 293.411 3.004 20 0 CGADHM O=c1cc(CSCc2ccnc(F)c2)nc(C2CC2)[n-]1 ZINC000863398767 629562800 /nfs/dbraw/zinc/56/28/00/629562800.db2.gz HTQLHXNQUZGOME-UHFFFAOYSA-N -1 3 291.351 3.027 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)CCSc1ccc(F)cc1 ZINC000794865341 629591367 /nfs/dbraw/zinc/59/13/67/629591367.db2.gz PZXKDPYWUCMHPM-NSHDSACASA-N -1 3 285.384 3.402 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)Cc1c[nH]c2ccc(Cl)cc12 ZINC000794867142 629591376 /nfs/dbraw/zinc/59/13/76/629591376.db2.gz WLEWWJBZODFMLD-SNVBAGLBSA-N -1 3 294.782 3.458 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)CCCOc1ccccc1C ZINC000794866705 629591453 /nfs/dbraw/zinc/59/14/53/629591453.db2.gz VCNUJAJKPDFNCG-CYBMUJFWSA-N -1 3 279.380 3.248 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)C[C@@H](C)c1ccc(F)cc1 ZINC000794875093 629593412 /nfs/dbraw/zinc/59/34/12/629593412.db2.gz LSAVWMWMBSVGNM-VXGBXAGGSA-N -1 3 267.344 3.413 20 0 CGADHM Cc1cc(=O)[n-]c(CSC[C@@H](C)CC(C)C)n1 ZINC000798400662 630053501 /nfs/dbraw/zinc/05/35/01/630053501.db2.gz MUIDATSFWSBKQA-JTQLQIEISA-N -1 3 254.399 3.406 20 0 CGADHM COc1ccccc1CO[N-]C(=O)C[C@@H]1CCC[C@H](C)C1 ZINC000799099710 630142669 /nfs/dbraw/zinc/14/26/69/630142669.db2.gz ZWIRAYLIHWICEF-UONOGXRCSA-N -1 3 291.391 3.459 20 0 CGADHM CC(C)(C)OCCCC(=O)Nc1cccc([O-])c1F ZINC000802929380 630431925 /nfs/dbraw/zinc/43/19/25/630431925.db2.gz IANVLMCPHOXPMP-UHFFFAOYSA-N -1 3 269.316 3.065 20 0 CGADHM O=C([N-][C@H]1CCCC1(F)F)C(F)(F)c1ccccc1 ZINC000807853246 630601064 /nfs/dbraw/zinc/60/10/64/630601064.db2.gz DEDLUEGRLWKFBH-JTQLQIEISA-N -1 3 275.245 3.082 20 0 CGADHM CC(=O)c1cccc(NC(=O)C=C2CCCCC2)c1[O-] ZINC000808187304 630629723 /nfs/dbraw/zinc/62/97/23/630629723.db2.gz CAPXKOGUHUBORG-UHFFFAOYSA-N -1 3 273.332 3.424 20 0 CGADHM O=C([N-]c1c(F)cc(Cl)cc1F)c1cccnc1F ZINC000808698983 630666623 /nfs/dbraw/zinc/66/66/23/630666623.db2.gz PEAOQVCIFXGXHK-UHFFFAOYSA-N -1 3 286.640 3.405 20 0 CGADHM O=C(NCc1ccc(Cl)nc1)c1cc([O-])ccc1Cl ZINC000810169698 630849867 /nfs/dbraw/zinc/84/98/67/630849867.db2.gz XCEAENDDAFZGFR-UHFFFAOYSA-N -1 3 297.141 3.024 20 0 CGADHM COC[C@H](C)OC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000810582677 630898038 /nfs/dbraw/zinc/89/80/38/630898038.db2.gz ASBIJUQMBPQINK-LURJTMIESA-N -1 3 273.741 3.075 20 0 CGADHM C[C@H]1OCC[C@@H]1COC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000810873811 630969234 /nfs/dbraw/zinc/96/92/34/630969234.db2.gz WGCGYHGEBAZYCW-HTQZYQBOSA-N -1 3 299.779 3.465 20 0 CGADHM C[C@@H](NC(=O)c1cc2sccc2c([O-])c1)C(F)(F)F ZINC000813813157 631462244 /nfs/dbraw/zinc/46/22/44/631462244.db2.gz LEGZQYJRSBLVST-ZCFIWIBFSA-N -1 3 289.278 3.288 20 0 CGADHM COc1ccc(C)cc1CNCc1c(F)ccc([O-])c1F ZINC000816531256 632004325 /nfs/dbraw/zinc/00/43/25/632004325.db2.gz LJCMZQLXZMARJY-UHFFFAOYSA-N -1 3 293.313 3.277 20 0 CGADHM CCc1ccc(C(=O)Nc2cccc(C(C)=O)c2[O-])s1 ZINC000816620862 632024501 /nfs/dbraw/zinc/02/45/01/632024501.db2.gz OPRQFNIGFOUQBG-UHFFFAOYSA-N -1 3 289.356 3.471 20 0 CGADHM Cc1ccc(CCC(=O)[N-]Oc2ccccc2)cc1 ZINC000816683589 632041592 /nfs/dbraw/zinc/04/15/92/632041592.db2.gz NXMJSESINLMGPO-UHFFFAOYSA-N -1 3 255.317 3.038 20 0 CGADHM Cc1ccc(CCC(=O)[N-]OCC2CC2)cc1Cl ZINC000817330592 632124099 /nfs/dbraw/zinc/12/40/99/632124099.db2.gz OINDBGWRVQTMCU-UHFFFAOYSA-N -1 3 267.756 3.039 20 0 CGADHM C[C@H](CC(=O)[N-]OCC1CC1)Cc1ccc(Cl)cc1 ZINC000817362596 632132007 /nfs/dbraw/zinc/13/20/07/632132007.db2.gz NQFZIRUZNXAFEZ-NSHDSACASA-N -1 3 281.783 3.367 20 0 CGADHM CC(C)[C@@H](CC(=O)[N-]OCC1CC1)c1ccccc1 ZINC000817367618 632132829 /nfs/dbraw/zinc/13/28/29/632132829.db2.gz HLAHSMXHGAUGOX-OAHLLOKOSA-N -1 3 261.365 3.274 20 0 CGADHM CC1(C)CCCC[C@H]1CC(=O)[N-]OCCC1CC1 ZINC000817425566 632151065 /nfs/dbraw/zinc/15/10/65/632151065.db2.gz HRUBAUSPJSHARR-ZDUSSCGKSA-N -1 3 253.386 3.441 20 0 CGADHM CC[C@H](CC(=O)[N-]OCCC1CC1)c1ccccc1 ZINC000817425749 632152051 /nfs/dbraw/zinc/15/20/51/632152051.db2.gz LUOUYMWREAGMNC-CQSZACIVSA-N -1 3 261.365 3.418 20 0 CGADHM C[C@]1(C(=O)[N-]OCCC2CC2)CCc2ccccc2C1 ZINC000817441280 632159332 /nfs/dbraw/zinc/15/93/32/632159332.db2.gz BNTIENFEWYPYFH-KRWDZBQOSA-N -1 3 273.376 3.030 20 0 CGADHM CCC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(N)cc1[O-] ZINC000817933583 632235948 /nfs/dbraw/zinc/23/59/48/632235948.db2.gz LCNJYQFYBCDOJX-BXUZGUMPSA-N -1 3 276.380 3.063 20 0 CGADHM CC(C)CC[C@@H]1CCCCN1C(=O)c1ccc(N)cc1[O-] ZINC000817961748 632257508 /nfs/dbraw/zinc/25/75/08/632257508.db2.gz BNXKPFANOQKVNO-AWEZNQCLSA-N -1 3 290.407 3.405 20 0 CGADHM O=C(OCC[C@@H]1CC1(Cl)Cl)c1ccc([O-])cc1 ZINC000820134888 632576206 /nfs/dbraw/zinc/57/62/06/632576206.db2.gz ZQSLGIHWSYYRJP-SECBINFHSA-N -1 3 275.131 3.133 20 0 CGADHM FC(F)(F)CSc1cccc(Cl)c1-c1nnn[n-]1 ZINC000826367754 633409086 /nfs/dbraw/zinc/40/90/86/633409086.db2.gz MSXSIKKUEUNGNZ-UHFFFAOYSA-N -1 3 294.689 3.175 20 0 CGADHM FC(F)(F)CSc1cccc(Cl)c1-c1nn[n-]n1 ZINC000826367754 633409093 /nfs/dbraw/zinc/40/90/93/633409093.db2.gz MSXSIKKUEUNGNZ-UHFFFAOYSA-N -1 3 294.689 3.175 20 0 CGADHM CC(=C/c1ccccc1)/C=C1\C(=O)[N-]C(=O)c2ccccc21 ZINC000208020701 633526167 /nfs/dbraw/zinc/52/61/67/633526167.db2.gz JLOXIDHNCMIOMA-RQGFIEOQSA-N -1 3 289.334 3.444 20 0 CGADHM CCc1[n-]n([C@@H]2CCOC3(CCCC3)C2)c(=O)c1C(C)C ZINC000871964560 633932079 /nfs/dbraw/zinc/93/20/79/633932079.db2.gz SWFHREIVFKMGER-UKRRQHHQSA-N -1 3 292.423 3.359 20 0 CGADHM Cc1ccc(CN[C@H](C)c2cccc([O-])c2F)cn1 ZINC000872025801 633946001 /nfs/dbraw/zinc/94/60/01/633946001.db2.gz TYLJYMNNJGDLFK-LLVKDONJSA-N -1 3 260.312 3.086 20 0 CGADHM Cc1nnc([C@@H](C)N[C@H](C)c2cccc([O-])c2F)s1 ZINC000872062829 633984975 /nfs/dbraw/zinc/98/49/75/633984975.db2.gz QRYVHFITOSALGD-HTQZYQBOSA-N -1 3 281.356 3.103 20 0 CGADHM C[C@@H](N[C@@H](C)C(F)(F)F)c1cccc([O-])c1F ZINC000872071417 633986598 /nfs/dbraw/zinc/98/65/98/633986598.db2.gz OUPPZGKCFIXSGX-RQJHMYQMSA-N -1 3 251.223 3.133 20 0 CGADHM Cc1cc(CN[C@H](C)c2cccc([O-])c2F)ccn1 ZINC000872074544 633996861 /nfs/dbraw/zinc/99/68/61/633996861.db2.gz FZNIJTIEVXSAIM-LLVKDONJSA-N -1 3 260.312 3.086 20 0 CGADHM CCC1(C(=O)[N-]OCCSC)CCC(F)(F)CC1 ZINC000834825430 634249610 /nfs/dbraw/zinc/24/96/10/634249610.db2.gz FGZLLMILIXRUMV-UHFFFAOYSA-N -1 3 281.368 3.003 20 0 CGADHM CCCC1(C(=O)OCc2cc(=O)[n-]c(C3CC3)n2)CCC1 ZINC000837572679 634938286 /nfs/dbraw/zinc/93/82/86/634938286.db2.gz CTQAOLYXZVPXNP-UHFFFAOYSA-N -1 3 290.363 3.073 20 0 CGADHM CCC[C@@H](C(=O)OCc1cc(=O)[n-]c(C2CC2)n1)C(C)C ZINC000837608035 634948380 /nfs/dbraw/zinc/94/83/80/634948380.db2.gz RVZDKGGSJPJGMU-CYBMUJFWSA-N -1 3 292.379 3.175 20 0 CGADHM CO[C@@H](CO[N-]C(=O)CCCc1ccccc1)CC(C)C ZINC000842028585 635258411 /nfs/dbraw/zinc/25/84/11/635258411.db2.gz RVGXXGGHFJJSGN-MRXNPFEDSA-N -1 3 293.407 3.118 20 0 CGADHM CC(C)(C)CC(=O)[N-]OCc1cccc(F)c1Cl ZINC000842061385 635271696 /nfs/dbraw/zinc/27/16/96/635271696.db2.gz JKUDSGYJDWEZJG-UHFFFAOYSA-N -1 3 273.735 3.463 20 0 CGADHM C[C@]1(c2ccccc2)C[C@H]1C(=O)NCc1ccc([O-])c(F)c1 ZINC000878912967 635655353 /nfs/dbraw/zinc/65/53/53/635655353.db2.gz WCFFNDTVQJCSAT-KBXCAEBGSA-N -1 3 299.345 3.125 20 0 CGADHM O=C(Nc1ccc(Cl)cc1[O-])C1(C(F)F)CC1 ZINC000843843575 635788517 /nfs/dbraw/zinc/78/85/17/635788517.db2.gz RFPHSFKLQMWGOD-UHFFFAOYSA-N -1 3 261.655 3.029 20 0 CGADHM CSCc1ccccc1NC([O-])=NO[C@H]1CCCCO1 ZINC000128240689 635923160 /nfs/dbraw/zinc/92/31/60/635923160.db2.gz NLPLISYAZRRDJQ-ZDUSSCGKSA-N -1 3 296.392 3.129 20 0 CGADHM CSCc1ccccc1NC(=O)[N-]O[C@H]1CCCCO1 ZINC000128240689 635923162 /nfs/dbraw/zinc/92/31/62/635923162.db2.gz NLPLISYAZRRDJQ-ZDUSSCGKSA-N -1 3 296.392 3.129 20 0 CGADHM Cc1nonc1[N-]C(=O)c1sccc1SC(F)F ZINC000107139217 636448824 /nfs/dbraw/zinc/44/88/24/636448824.db2.gz NRCASNXPDJMDFE-UHFFFAOYSA-N -1 3 291.304 3.007 20 0 CGADHM Cc1ccccc1[C@H](C)OC(=O)c1cccc2nn[n-]c21 ZINC000800208482 636957866 /nfs/dbraw/zinc/95/78/66/636957866.db2.gz JBSFUQSTIMEGJD-NSHDSACASA-N -1 3 281.315 3.184 20 0 CGADHM Cc1ccccc1[C@H](C)OC(=O)c1cccc2[n-]nnc21 ZINC000800208482 636957868 /nfs/dbraw/zinc/95/78/68/636957868.db2.gz JBSFUQSTIMEGJD-NSHDSACASA-N -1 3 281.315 3.184 20 0 CGADHM Cc1ccccc1[C@H](C)OC(=O)c1cccc2n[n-]nc21 ZINC000800208482 636957872 /nfs/dbraw/zinc/95/78/72/636957872.db2.gz JBSFUQSTIMEGJD-NSHDSACASA-N -1 3 281.315 3.184 20 0 CGADHM C[C@@H]1CCC[C@H](CNC(=O)c2cc([O-])c3ccccc3c2)O1 ZINC000855797068 638250954 /nfs/dbraw/zinc/25/09/54/638250954.db2.gz LQTAIETYOVLKHP-IUODEOHRSA-N -1 3 299.370 3.233 20 0 CGADHM CCc1ccc(CCC(=O)[N-]OCC2CCC2)cc1 ZINC000856343779 638346175 /nfs/dbraw/zinc/34/61/75/638346175.db2.gz ZEVSSYCMLQVVRP-UHFFFAOYSA-N -1 3 261.365 3.030 20 0 CGADHM O=C(Cc1cccc(Cl)c1Cl)[N-]OCC1CCC1 ZINC000856351866 638351130 /nfs/dbraw/zinc/35/11/30/638351130.db2.gz SKXLWDJFVXTOPR-UHFFFAOYSA-N -1 3 288.174 3.384 20 0 CGADHM CC(C)n1cc(Cl)c([N-]C(=O)c2cc(Cl)no2)n1 ZINC000924769133 638401824 /nfs/dbraw/zinc/40/18/24/638401824.db2.gz XKJOBIMOBCRRHV-UHFFFAOYSA-N -1 3 289.122 3.011 20 0 CGADHM CC(C)n1ccc(CN[C@@H](C)c2cc([O-])cc(F)c2)n1 ZINC000925106141 638454702 /nfs/dbraw/zinc/45/47/02/638454702.db2.gz MLKSJUXNAULEQQ-NSHDSACASA-N -1 3 277.343 3.160 20 0 CGADHM O=C([N-]c1nc(C2CC2)no1)c1cc(C(F)F)ccc1F ZINC000857131973 638459746 /nfs/dbraw/zinc/45/97/46/638459746.db2.gz PMEFBPSLOFIKFC-UHFFFAOYSA-N -1 3 297.236 3.276 20 0 CGADHM CCCO[N-]C(=O)CCCOc1ccc2c(c1)CCCC2 ZINC000857544599 638516943 /nfs/dbraw/zinc/51/69/43/638516943.db2.gz SJAVDSSWLKONSU-UHFFFAOYSA-N -1 3 291.391 3.182 20 0 CGADHM C/C(=C\Cl)CSc1cc(Cl)nc(=O)[n-]1 ZINC000858525695 638754872 /nfs/dbraw/zinc/75/48/72/638754872.db2.gz IIWRUMGVXGJFMH-HWKANZROSA-N -1 3 251.138 3.070 20 0 CGADHM C[C@H](N[C@H]1C[C@H](C)n2ccnc21)c1cc([O-])cc(F)c1 ZINC000926534372 638782302 /nfs/dbraw/zinc/78/23/02/638782302.db2.gz ZEIKLQSVQAGIPY-BHDSKKPTSA-N -1 3 275.327 3.084 20 0 CGADHM C[C@H](NCc1nn(C)cc1C(F)F)c1cc([O-])cc(F)c1 ZINC000926804149 638814137 /nfs/dbraw/zinc/81/41/37/638814137.db2.gz IOKXMYRBGMDSAL-QMMMGPOBSA-N -1 3 299.296 3.053 20 0 CGADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1ccc(C(F)F)cc1 ZINC000933104667 639418989 /nfs/dbraw/zinc/41/89/89/639418989.db2.gz SKEROIVHFVWZTH-LLVKDONJSA-N -1 3 286.278 3.204 20 0 CGADHM O=C([N-]O[C@@H]1CCCCO1)Nc1ccc(C(F)F)cc1 ZINC000933104667 639418994 /nfs/dbraw/zinc/41/89/94/639418994.db2.gz SKEROIVHFVWZTH-LLVKDONJSA-N -1 3 286.278 3.204 20 0 CGADHM O=C(Nc1cccc([O-])c1F)[C@H](O)C1CCCCCCC1 ZINC000935134800 639753894 /nfs/dbraw/zinc/75/38/94/639753894.db2.gz LTUDIZVILFHHJR-OAHLLOKOSA-N -1 3 295.354 3.191 20 0 CGADHM CCCCCC[C@H](C)CC(=O)[N-]OC[C@H]1CCOC1 ZINC000189258531 640182156 /nfs/dbraw/zinc/18/21/56/640182156.db2.gz BNDSMQPHUNWCKX-KBPBESRZSA-N -1 3 271.401 3.067 20 0 CGADHM C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@@H]2C(=O)Nc2ncccc2[O-])o1 ZINC000956384193 640714229 /nfs/dbraw/zinc/71/42/29/640714229.db2.gz RQMJAMFQYHZPJV-KXNHARMFSA-N -1 3 298.342 3.246 20 0 CGADHM C[C@H]1C[C@H]1c1ccc(CN2CCC(CC(=O)[O-])CC2)o1 ZINC000093682266 640780476 /nfs/dbraw/zinc/78/04/76/640780476.db2.gz ZTMMPYKQYNRDIY-SMDDNHRTSA-N -1 3 277.364 3.090 20 0 CGADHM O=C(Nc1ccc(F)c([O-])c1)c1cnc2cccc(O)c2c1 ZINC001155541369 805590045 /nfs/dbraw/zinc/59/00/45/805590045.db2.gz UIAZEVOANLDCRY-UHFFFAOYSA-N -1 3 298.273 3.037 20 0 CGADHM Cc1cc(-c2nccc(C(F)(F)F)n2)cc([O-])c1F ZINC001250466966 805635328 /nfs/dbraw/zinc/63/53/28/805635328.db2.gz PPIAOHJSXJCBGC-UHFFFAOYSA-N -1 3 272.201 3.316 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2ccnc(-c3ccco3)c2)n1 ZINC001156121723 805654838 /nfs/dbraw/zinc/65/48/38/805654838.db2.gz CZOLZNAJHCKKFI-UHFFFAOYSA-N -1 3 295.298 3.003 20 0 CGADHM [O-]c1c(F)ccc(F)c1-c1nc2ccc(F)cc2[nH]1 ZINC001250803977 805778759 /nfs/dbraw/zinc/77/87/59/805778759.db2.gz XOUMKVCNLAJRAU-UHFFFAOYSA-N -1 3 264.206 3.353 20 0 CGADHM CCOc1ccc2nc(-c3ccncc3[O-])n(CC)c2c1 ZINC001250858423 805790247 /nfs/dbraw/zinc/79/02/47/805790247.db2.gz XMYQMJBJOROZSZ-UHFFFAOYSA-N -1 3 283.331 3.223 20 0 CGADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCCOC1 ZINC001157418919 805810155 /nfs/dbraw/zinc/81/01/55/805810155.db2.gz YJVVPFUPKWVMMP-UHFFFAOYSA-N -1 3 299.326 3.005 20 0 CGADHM COc1ccc2nc(-c3cc([O-])cc(F)c3)n(C)c2c1 ZINC001251569453 805908034 /nfs/dbraw/zinc/90/80/34/805908034.db2.gz GOQKRUNIMFQROO-UHFFFAOYSA-N -1 3 272.279 3.094 20 0 CGADHM CC(C)O[N-]C(=O)[C@@](C)(Cc1ccccc1)C(C)C ZINC001159691291 806152160 /nfs/dbraw/zinc/15/21/60/806152160.db2.gz KEIBIZPQIHVYIB-INIZCTEOSA-N -1 3 263.381 3.348 20 0 CGADHM CCCOc1ccc(Nc2cnc(C)[n-]c2=O)cc1F ZINC001211668195 814929269 /nfs/dbraw/zinc/92/92/69/814929269.db2.gz PHTBPIXXHQDCPP-UHFFFAOYSA-N -1 3 277.299 3.162 20 0 CGADHM Cc1cccc(-c2nnc(-c3c(C)cc(O)cc3[O-])o2)c1 ZINC001253716709 806283513 /nfs/dbraw/zinc/28/35/13/806283513.db2.gz DZPHNLOPPQOCLA-UHFFFAOYSA-N -1 3 282.299 3.432 20 0 CGADHM COc1ccc2cc([O-])c(-c3nnc(C4CC4)o3)cc2c1 ZINC001254060564 806336115 /nfs/dbraw/zinc/33/61/15/806336115.db2.gz YHQXPGQGVZNVCS-UHFFFAOYSA-N -1 3 282.299 3.481 20 0 CGADHM CC(C)c1ccc(C(=O)N[C@H]2CS[C@H](C)C2)c([O-])c1 ZINC001161816675 806463463 /nfs/dbraw/zinc/46/34/63/806463463.db2.gz OVMMUTDHTZDEIL-ZYHUDNBSSA-N -1 3 279.405 3.139 20 0 CGADHM Cc1ccc(C)c(CCNc2ccc(=S)[n-]n2)c1 ZINC001161829927 806467023 /nfs/dbraw/zinc/46/70/23/806467023.db2.gz FCPUYRGAGDZYQG-UHFFFAOYSA-N -1 3 259.378 3.037 20 0 CGADHM c1ccc([C@H](Nc2ccccc2-c2nnn[n-]2)C2CC2)cc1 ZINC001161962668 806492538 /nfs/dbraw/zinc/49/25/38/806492538.db2.gz PFCHZTSPQFVLQP-INIZCTEOSA-N -1 3 291.358 3.430 20 0 CGADHM c1ccc([C@H](Nc2ccccc2-c2nn[n-]n2)C2CC2)cc1 ZINC001161962668 806492542 /nfs/dbraw/zinc/49/25/42/806492542.db2.gz PFCHZTSPQFVLQP-INIZCTEOSA-N -1 3 291.358 3.430 20 0 CGADHM CC(C)(Nc1cc(C(F)(F)F)[n-]c(=S)n1)C1CC1 ZINC001162517548 806603668 /nfs/dbraw/zinc/60/36/68/806603668.db2.gz WFTRUUXKXMXQCJ-UHFFFAOYSA-N -1 3 277.315 3.385 20 0 CGADHM Cc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2)ccc1N ZINC000070438923 798916130 /nfs/dbraw/zinc/91/61/30/798916130.db2.gz SNWHDAWZXHADQN-UHFFFAOYSA-N -1 3 296.779 3.031 20 0 CGADHM C/C(=C\CN[C@H](C)c1ccccc1Cl)C(=O)[O-] ZINC000382782833 799397258 /nfs/dbraw/zinc/39/72/58/799397258.db2.gz TXHPHWHZBVWAJI-TTZKWOQHSA-N -1 3 253.729 3.022 20 0 CGADHM CCCC[C@@H](CC)CNC(=O)c1c([O-])cccc1OC ZINC000405272835 799582986 /nfs/dbraw/zinc/58/29/86/799582986.db2.gz POQKPOUXWMLDAB-GFCCVEGCSA-N -1 3 279.380 3.347 20 0 CGADHM CCc1ccccc1CNCc1csc(C(=O)[O-])c1 ZINC000689176609 799761388 /nfs/dbraw/zinc/76/13/88/799761388.db2.gz YLCPNICVEMCSNC-UHFFFAOYSA-N -1 3 275.373 3.299 20 0 CGADHM CCCN(CC)C(F)(F)c1cc(Cl)nc(=S)[n-]1 ZINC001163602498 806791108 /nfs/dbraw/zinc/79/11/08/806791108.db2.gz DHEIDYRGQJPBPO-UHFFFAOYSA-N -1 3 281.759 3.200 20 0 CGADHM Cc1cccc([O-])c1C(=O)NC[C@@H]1CCCC[C@@H]1C ZINC000706621276 799964268 /nfs/dbraw/zinc/96/42/68/799964268.db2.gz BAOZJWWHXDANQO-AAEUAGOBSA-N -1 3 261.365 3.257 20 0 CGADHM Cc1cc(F)cc(NC(=O)c2c(C)cccc2[O-])c1 ZINC000706648683 799964361 /nfs/dbraw/zinc/96/43/61/799964361.db2.gz ULNZBNOBJOCDHP-UHFFFAOYSA-N -1 3 259.280 3.400 20 0 CGADHM C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1CNC(=O)c1cc([O-])ccc1Cl ZINC000717044931 800190997 /nfs/dbraw/zinc/19/09/97/800190997.db2.gz AYJJYKYBUALOFW-LLHIFLOGSA-N -1 3 279.767 3.068 20 0 CGADHM CC1=C(C)C[C@](C)(C(=O)[N-]OCC(F)(F)F)CC1 ZINC000934901792 800680699 /nfs/dbraw/zinc/68/06/99/800680699.db2.gz QDLFJFNIBCQOSZ-LLVKDONJSA-N -1 3 265.275 3.123 20 0 CGADHM CCCC1([N-]S(=O)(=O)c2ccc(Cl)s2)CCC1 ZINC001256554505 806914350 /nfs/dbraw/zinc/91/43/50/806914350.db2.gz AXAUSQYCLLFARM-UHFFFAOYSA-N -1 3 293.841 3.403 20 0 CGADHM O=c1[nH][n-]cc1CCCNc1ccc(-c2cccs2)cc1 ZINC001164382065 806944407 /nfs/dbraw/zinc/94/44/07/806944407.db2.gz KDODNEOBPFBDKX-ZDUSSCGKSA-N -1 3 299.399 3.339 20 0 CGADHM C[C@@H]1C[C@@H]1c1nnc(-c2cc([O-])ccc2Br)o1 ZINC001256760586 806973113 /nfs/dbraw/zinc/97/31/13/806973113.db2.gz JBMFOFLZDALGOV-SVRRBLITSA-N -1 3 295.136 3.328 20 0 CGADHM CC(C)(C)c1coc(CNC[C@@H](CC(=O)[O-])C(C)(C)C)n1 ZINC001119544065 802678414 /nfs/dbraw/zinc/67/84/14/802678414.db2.gz BYENEKPJMZIJRI-LLVKDONJSA-N -1 3 296.411 3.199 20 0 CGADHM CCc1ncc(C(=O)[N-]c2cnoc2C(C)C)s1 ZINC001120772564 802775688 /nfs/dbraw/zinc/77/56/88/802775688.db2.gz MFRBBJLSMPHTLP-UHFFFAOYSA-N -1 3 265.338 3.069 20 0 CGADHM Cc1noc(C)c1[N-]C(=O)c1c(F)cc(C)cc1F ZINC001125499358 803063970 /nfs/dbraw/zinc/06/39/70/803063970.db2.gz QUYYNYXVOALYDY-UHFFFAOYSA-N -1 3 266.247 3.130 20 0 CGADHM COc1cncc(OC)c1-c1c([O-])cccc1Cl ZINC001244047485 803159025 /nfs/dbraw/zinc/15/90/25/803159025.db2.gz KNSDUCJCSFCGBB-UHFFFAOYSA-N -1 3 265.696 3.125 20 0 CGADHM CC(C)Oc1c(F)cc(-c2ccc(=S)[n-]n2)cc1F ZINC001244111666 803191210 /nfs/dbraw/zinc/19/12/10/803191210.db2.gz ZZNLUIDQEYACNE-UHFFFAOYSA-N -1 3 282.315 3.498 20 0 CGADHM Cc1ccc(O)cc1-c1cc(C(F)(F)F)[n-]c(=S)n1 ZINC001244447047 803371200 /nfs/dbraw/zinc/37/12/00/803371200.db2.gz IVDUBKQMOWQHBZ-UHFFFAOYSA-N -1 3 286.278 3.465 20 0 CGADHM COc1ccc(-c2cc(OC(F)(F)F)ccc2[O-])nc1 ZINC001244456835 803379035 /nfs/dbraw/zinc/37/90/35/803379035.db2.gz SJGJRSZMWUMEQB-UHFFFAOYSA-N -1 3 285.221 3.361 20 0 CGADHM O=C1C=CC(=O)N1c1ccc(-c2ccc(Cl)cc2[O-])cc1 ZINC001244469481 803385947 /nfs/dbraw/zinc/38/59/47/803385947.db2.gz KQNDVPYGZCUPLN-UHFFFAOYSA-N -1 3 299.713 3.142 20 0 CGADHM CCOC(=O)c1ccc(C)c(-c2cc(C)c(F)c([O-])c2)n1 ZINC001244496881 803403852 /nfs/dbraw/zinc/40/38/52/803403852.db2.gz XQDBVVQZWMGURP-UHFFFAOYSA-N -1 3 289.306 3.387 20 0 CGADHM CCOC(=O)c1cccc(-c2cc(C)c(F)c([O-])c2)n1 ZINC001244507077 803411415 /nfs/dbraw/zinc/41/14/15/803411415.db2.gz SWDLSNIVMFRCDM-UHFFFAOYSA-N -1 3 275.279 3.078 20 0 CGADHM Cc1cc(-c2cc3c(nn2)CC[C@H](C)C3)cc([O-])c1F ZINC001244506885 803411569 /nfs/dbraw/zinc/41/15/69/803411569.db2.gz JLGBSDOEZVREOR-VIFPVBQESA-N -1 3 272.323 3.422 20 0 CGADHM Cc1cc(-c2cc(OCC3CC3)ncn2)cc([O-])c1F ZINC001244508072 803411675 /nfs/dbraw/zinc/41/16/75/803411675.db2.gz SZSSBUGHYOSXKN-UHFFFAOYSA-N -1 3 274.295 3.086 20 0 CGADHM Cc1cn2c(cccc2-c2cc(C)c(F)c([O-])c2)n1 ZINC001244518378 803415355 /nfs/dbraw/zinc/41/53/55/803415355.db2.gz UPTMYONKVDUVIT-UHFFFAOYSA-N -1 3 256.280 3.463 20 0 CGADHM Cc1cc(-c2cnc3[nH]cnc3c2)cc(Cl)c1[O-] ZINC001244536944 803423718 /nfs/dbraw/zinc/42/37/18/803423718.db2.gz CDNXXYAIXZEKHL-UHFFFAOYSA-N -1 3 259.696 3.292 20 0 CGADHM COc1ccc(C)c(F)c1-c1ccc(-c2nnn[n-]2)cc1C ZINC001244569151 803444899 /nfs/dbraw/zinc/44/48/99/803444899.db2.gz UUFFAOKWUMYMQC-UHFFFAOYSA-N -1 3 298.321 3.298 20 0 CGADHM COc1ccc(C)c(F)c1-c1ccc(-c2nn[n-]n2)cc1C ZINC001244569151 803444902 /nfs/dbraw/zinc/44/49/02/803444902.db2.gz UUFFAOKWUMYMQC-UHFFFAOYSA-N -1 3 298.321 3.298 20 0 CGADHM CCCC[C@@H](C(=O)Nc1n[n-]c(-c2ccco2)n1)C(C)C ZINC001134128913 803523180 /nfs/dbraw/zinc/52/31/80/803523180.db2.gz ZLVCRBWPWLOHSE-LLVKDONJSA-N -1 3 290.367 3.466 20 0 CGADHM NCc1cc(-c2cc(C(=O)[O-])c(Cl)cc2Cl)ccn1 ZINC001245005207 803609354 /nfs/dbraw/zinc/60/93/54/803609354.db2.gz RTCBBAIHKAGPHA-UHFFFAOYSA-N -1 3 297.141 3.212 20 0 CGADHM CN(C)Cc1ccc(-c2cc(Cl)ccc2[O-])nc1 ZINC001245049015 803621315 /nfs/dbraw/zinc/62/13/15/803621315.db2.gz DVLPWTSICSQGEK-UHFFFAOYSA-N -1 3 262.740 3.169 20 0 CGADHM Cc1cn2cc(-c3cc(Cl)ccc3[O-])cnc2n1 ZINC001245050064 803622109 /nfs/dbraw/zinc/62/21/09/803622109.db2.gz APAFVQTWYZMIOQ-UHFFFAOYSA-N -1 3 259.696 3.064 20 0 CGADHM COc1ccnc(F)c1-c1cc(Cl)ccc1[O-] ZINC001245056105 803624333 /nfs/dbraw/zinc/62/43/33/803624333.db2.gz BUKVQYKNIRDQFN-UHFFFAOYSA-N -1 3 253.660 3.255 20 0 CGADHM CCCNC(=O)c1cccnc1-c1ccc([O-])cc1Cl ZINC001245079607 803634801 /nfs/dbraw/zinc/63/48/01/803634801.db2.gz SAQBZBVYDYDEGD-UHFFFAOYSA-N -1 3 290.750 3.247 20 0 CGADHM [O-]c1ccc(-c2ncnc3c2ncn3C2CC2)c(Cl)c1 ZINC001245079568 803634832 /nfs/dbraw/zinc/63/48/32/803634832.db2.gz QJLYCQBAPSSTAB-UHFFFAOYSA-N -1 3 286.722 3.187 20 0 CGADHM CC(C)Oc1cncc(-c2ccc([O-])cc2Cl)n1 ZINC001245080237 803635867 /nfs/dbraw/zinc/63/58/67/803635867.db2.gz WIHGHGMCKDCUCR-UHFFFAOYSA-N -1 3 264.712 3.290 20 0 CGADHM CC(C)Nc1ccnc(-c2ccc([O-])cc2Cl)n1 ZINC001245081104 803635925 /nfs/dbraw/zinc/63/59/25/803635925.db2.gz ZBKOJUHAYUKGKT-UHFFFAOYSA-N -1 3 263.728 3.323 20 0 CGADHM CC(=O)c1cccc(-c2ccc(-c3nnn[n-]3)cc2C)c1F ZINC001245153018 803652713 /nfs/dbraw/zinc/65/27/13/803652713.db2.gz BAZJGPNSYSHEMW-UHFFFAOYSA-N -1 3 296.305 3.184 20 0 CGADHM CC(=O)c1cccc(-c2ccc(-c3nn[n-]n3)cc2C)c1F ZINC001245153018 803652716 /nfs/dbraw/zinc/65/27/16/803652716.db2.gz BAZJGPNSYSHEMW-UHFFFAOYSA-N -1 3 296.305 3.184 20 0 CGADHM CCc1ccc(CCNC(=O)c2c(C)cccc2[O-])cc1 ZINC001136870429 803656712 /nfs/dbraw/zinc/65/67/12/803656712.db2.gz CTISJVJUMKSBSQ-UHFFFAOYSA-N -1 3 283.371 3.236 20 0 CGADHM C[C@@H]1C[C@@H](C)N(C(=O)c2cc3sccc3c([O-])c2)C1 ZINC001136942308 803661425 /nfs/dbraw/zinc/66/14/25/803661425.db2.gz CVSKFTDLJUUOFW-NXEZZACHSA-N -1 3 275.373 3.477 20 0 CGADHM Nc1ccc2nn(-c3ccc([O-])c(F)c3F)c(Cl)c2c1 ZINC001212007451 814965511 /nfs/dbraw/zinc/96/55/11/814965511.db2.gz FWUOTQYGWUXDSI-UHFFFAOYSA-N -1 3 295.676 3.245 20 0 CGADHM [O-]c1ccc(Nc2cc(-c3ccccn3)no2)c(F)c1F ZINC001212003261 814965933 /nfs/dbraw/zinc/96/59/33/814965933.db2.gz UZWSVRFMEGCEPM-UHFFFAOYSA-N -1 3 289.241 3.464 20 0 CGADHM CC(=O)c1cccc(Nc2ccc([O-])c(F)c2F)n1 ZINC001212005280 814966021 /nfs/dbraw/zinc/96/60/21/814966021.db2.gz FCVGYYOKTKUCIY-UHFFFAOYSA-N -1 3 264.231 3.012 20 0 CGADHM C[C@@H](O)c1ccccc1Nc1ccc([O-])c(F)c1F ZINC001212013751 814966821 /nfs/dbraw/zinc/96/68/21/814966821.db2.gz IEJCVIFOHDBUHY-MRVPVSSYSA-N -1 3 265.259 3.467 20 0 CGADHM COc1ccc(N)cc1Nc1ccc([O-])c(F)c1F ZINC001212010997 814966865 /nfs/dbraw/zinc/96/68/65/814966865.db2.gz LNGYFWYZUSZHGI-UHFFFAOYSA-N -1 3 266.247 3.005 20 0 CGADHM Cc1cc(F)c(-c2ccc(-c3nnn[n-]3)cc2C)cc1F ZINC001245546167 803805315 /nfs/dbraw/zinc/80/53/15/803805315.db2.gz PVDJCWNXLUJIOA-UHFFFAOYSA-N -1 3 286.285 3.429 20 0 CGADHM Cc1cc(F)c(-c2ccc(-c3nn[n-]n3)cc2C)cc1F ZINC001245546167 803805324 /nfs/dbraw/zinc/80/53/24/803805324.db2.gz PVDJCWNXLUJIOA-UHFFFAOYSA-N -1 3 286.285 3.429 20 0 CGADHM Nc1cccc2c(Cl)nn(-c3ccc([O-])c(F)c3F)c21 ZINC001212016165 814967692 /nfs/dbraw/zinc/96/76/92/814967692.db2.gz BAUREWHLBLIARA-UHFFFAOYSA-N -1 3 295.676 3.245 20 0 CGADHM CC(=O)Oc1ccc(F)c(Nc2ccc([O-])c(F)c2F)c1 ZINC001212016473 814968129 /nfs/dbraw/zinc/96/81/29/814968129.db2.gz RLDBGZAPEYTTRU-UHFFFAOYSA-N -1 3 297.232 3.478 20 0 CGADHM O=Cc1c[nH]c2cc(C(=O)Nc3cc(F)ccc3[O-])ccc12 ZINC001138016809 803824835 /nfs/dbraw/zinc/82/48/35/803824835.db2.gz VSUAQRHDOJNJBR-UHFFFAOYSA-N -1 3 298.273 3.077 20 0 CGADHM Fc1ccc2[nH]c(-c3cc(F)cc(-c4nnn[n-]4)c3)cc2c1 ZINC001245576273 803827327 /nfs/dbraw/zinc/82/73/27/803827327.db2.gz OHWYEIGITSDGSI-UHFFFAOYSA-N -1 3 297.268 3.293 20 0 CGADHM Fc1ccc2[nH]c(-c3cc(F)cc(-c4nn[n-]n4)c3)cc2c1 ZINC001245576273 803827333 /nfs/dbraw/zinc/82/73/33/803827333.db2.gz OHWYEIGITSDGSI-UHFFFAOYSA-N -1 3 297.268 3.293 20 0 CGADHM COc1ccc2[nH]c(-c3ccc(-c4nnn[n-]4)cc3)cc2c1 ZINC001245595402 803842230 /nfs/dbraw/zinc/84/22/30/803842230.db2.gz USAKBKLHRZEZTH-UHFFFAOYSA-N -1 3 291.314 3.024 20 0 CGADHM COc1ccc2[nH]c(-c3ccc(-c4nn[n-]n4)cc3)cc2c1 ZINC001245595402 803842242 /nfs/dbraw/zinc/84/22/42/803842242.db2.gz USAKBKLHRZEZTH-UHFFFAOYSA-N -1 3 291.314 3.024 20 0 CGADHM COc1c(F)cc(F)cc1-c1c([O-])cccc1F ZINC001245653334 803884373 /nfs/dbraw/zinc/88/43/73/803884373.db2.gz LIZHRNQGAONGRW-UHFFFAOYSA-N -1 3 254.207 3.485 20 0 CGADHM COC(=O)[C@@H](C)c1ccc(-c2c([O-])cccc2F)cc1 ZINC001245654429 803886593 /nfs/dbraw/zinc/88/65/93/803886593.db2.gz DYXAJRWWJFZWKT-JTQLQIEISA-N -1 3 274.291 3.475 20 0 CGADHM [O-]c1cccc(F)c1-c1cccnc1OC(F)F ZINC001245655203 803888213 /nfs/dbraw/zinc/88/82/13/803888213.db2.gz OZFNUDSZEKQEDF-UHFFFAOYSA-N -1 3 255.195 3.195 20 0 CGADHM CC1(C)Cc2cc(-c3c([O-])cccc3F)ccc2C(=O)N1 ZINC001245655429 803888337 /nfs/dbraw/zinc/88/83/37/803888337.db2.gz BSRVVHDEFNRMQI-UHFFFAOYSA-N -1 3 285.318 3.263 20 0 CGADHM O=C1CC[C@H](c2ccc(-c3c([O-])cccc3F)cc2)N1 ZINC001245655433 803888434 /nfs/dbraw/zinc/88/84/34/803888434.db2.gz BTWHJLRSPXJFPO-CYBMUJFWSA-N -1 3 271.291 3.149 20 0 CGADHM O=C1CCc2c(cccc2-c2c([O-])cccc2F)N1 ZINC001245656918 803889682 /nfs/dbraw/zinc/88/96/82/803889682.db2.gz XYWPSPSYNNULKN-UHFFFAOYSA-N -1 3 257.264 3.083 20 0 CGADHM CCOC(=O)c1ccc(-c2c([O-])cccc2F)c(C)n1 ZINC001245657186 803892094 /nfs/dbraw/zinc/89/20/94/803892094.db2.gz WJACFENDQLBPJJ-UHFFFAOYSA-N -1 3 275.279 3.078 20 0 CGADHM CCc1cc(-c2ccccc2-c2nnn[n-]2)ccc1OC ZINC001245790902 803963258 /nfs/dbraw/zinc/96/32/58/803963258.db2.gz KOLBZZUVCWTHTJ-UHFFFAOYSA-N -1 3 280.331 3.105 20 0 CGADHM CCc1cc(-c2ccccc2-c2nn[n-]n2)ccc1OC ZINC001245790902 803963262 /nfs/dbraw/zinc/96/32/62/803963262.db2.gz KOLBZZUVCWTHTJ-UHFFFAOYSA-N -1 3 280.331 3.105 20 0 CGADHM CN1CCC(n2[n-]c(-c3ccccc3Cl)cc2=O)CC1 ZINC001245929019 804057137 /nfs/dbraw/zinc/05/71/37/804057137.db2.gz XBUOTTIWEZVRAI-UHFFFAOYSA-N -1 3 291.782 3.176 20 0 CGADHM Cc1cc(Nc2cc(=O)n(-c3ccccc3)[n-]2)cnc1F ZINC001212181261 814989274 /nfs/dbraw/zinc/98/92/74/814989274.db2.gz XPQCFCQMHYLBOF-UHFFFAOYSA-N -1 3 284.294 3.164 20 0 CGADHM CSc1ccc([N-]c2nonc2C2CC2)c(C)n1 ZINC001215906646 815625500 /nfs/dbraw/zinc/62/55/00/815625500.db2.gz GYPMAMBECHMZRQ-UHFFFAOYSA-N -1 3 262.338 3.116 20 0 CGADHM CC(=O)n1ncc2ccc([N-]c3noc(C(C)(C)C)n3)cc21 ZINC001212411055 815021866 /nfs/dbraw/zinc/02/18/66/815021866.db2.gz VEDKOBHRIWDTHD-UHFFFAOYSA-N -1 3 299.334 3.121 20 0 CGADHM Cc1[nH]c(CN2CC[C@H]3CCCC[C@H]3C2)c(C)c1C(=O)[O-] ZINC001140497715 804449136 /nfs/dbraw/zinc/44/91/36/804449136.db2.gz RGCMFSLDDCJLDQ-KGLIPLIRSA-N -1 3 290.407 3.342 20 0 CGADHM Cc1cccc(S(=O)(=O)[N-]c2c(O)cccc2Cl)c1 ZINC001256929504 807013368 /nfs/dbraw/zinc/01/33/68/807013368.db2.gz VLQZYBFHDCDFSM-UHFFFAOYSA-N -1 3 297.763 3.155 20 0 CGADHM [O-]c1ccc(CN2CCC3(CCC3)C2)c(F)c1F ZINC001140893142 804542003 /nfs/dbraw/zinc/54/20/03/804542003.db2.gz INJZPLNYUKDRQR-UHFFFAOYSA-N -1 3 253.292 3.046 20 0 CGADHM [O-]c1c(F)cc(CN2CC[C@H](c3ccccn3)C2)cc1F ZINC001140990950 804563224 /nfs/dbraw/zinc/56/32/24/804563224.db2.gz FIFNPYCESWOEIJ-LBPRGKRZSA-N -1 3 290.313 3.055 20 0 CGADHM [O-]c1c(F)cc(CN2CCC3(CCOCC3)CC2)cc1F ZINC001140990658 804563254 /nfs/dbraw/zinc/56/32/54/804563254.db2.gz LUMBFYPTLBUDFT-UHFFFAOYSA-N -1 3 297.345 3.063 20 0 CGADHM [O-]c1c(F)cc(CN2CCC3(CCCOC3)CC2)cc1F ZINC001140992135 804564328 /nfs/dbraw/zinc/56/43/28/804564328.db2.gz OUHZBMNXIWKTGH-UHFFFAOYSA-N -1 3 297.345 3.063 20 0 CGADHM O=C(CCNc1ccccc1)Nc1c([O-])cccc1Cl ZINC001141467573 804643876 /nfs/dbraw/zinc/64/38/76/804643876.db2.gz YQYZKOZSYCWECM-UHFFFAOYSA-N -1 3 290.750 3.486 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2cc(C)c3nccn3c2)c1 ZINC001141506992 804648811 /nfs/dbraw/zinc/64/88/11/804648811.db2.gz UZGMKBXPCCKLIZ-UHFFFAOYSA-N -1 3 295.342 3.163 20 0 CGADHM CC[C@H]1CCCC[C@@H]1CNC(=O)c1c([O-])cccc1OC ZINC001141532395 804650841 /nfs/dbraw/zinc/65/08/41/804650841.db2.gz FIJDNQLKVMDHKM-QWHCGFSZSA-N -1 3 291.391 3.347 20 0 CGADHM Nc1c2ccnc-2n(-c2cc(F)cc(F)c2[O-])cc1Cl ZINC001212477500 815033763 /nfs/dbraw/zinc/03/37/63/815033763.db2.gz GUTJOGHXHKWIOE-UHFFFAOYSA-N -1 3 295.676 3.197 20 0 CGADHM [O-]c1c(F)cc(F)cc1Nc1nc(F)c(F)cc1F ZINC001212477465 815033793 /nfs/dbraw/zinc/03/37/93/815033793.db2.gz FOMLZIDSDJGOJI-UHFFFAOYSA-N -1 3 276.164 3.226 20 0 CGADHM Cc1ccc(CCNC(=O)c2ccc(C)cc2[O-])c(C)c1 ZINC001142424860 804722001 /nfs/dbraw/zinc/72/20/01/804722001.db2.gz XELLVCWBAHHECX-UHFFFAOYSA-N -1 3 283.371 3.290 20 0 CGADHM Nc1cc(Cl)cnc1Nc1cc(F)cc(F)c1[O-] ZINC001212479923 815035563 /nfs/dbraw/zinc/03/55/63/815035563.db2.gz ZFGANNTYAFURKN-UHFFFAOYSA-N -1 3 271.654 3.045 20 0 CGADHM O=C(COCc1ccccc1)Nc1cc([O-])cc(Cl)c1 ZINC001143217805 804823309 /nfs/dbraw/zinc/82/33/09/804823309.db2.gz LPCNKZMPBIRVGI-UHFFFAOYSA-N -1 3 291.734 3.201 20 0 CGADHM [O-]c1cc(F)c(CN2C[C@@H]3CC(F)(F)C[C@@H]3C2)c(F)c1 ZINC001144544735 805000956 /nfs/dbraw/zinc/00/09/56/805000956.db2.gz FIOXICJZJQRNFW-DTORHVGOSA-N -1 3 289.272 3.148 20 0 CGADHM CCCC1CCN(C(=O)Cc2ccc([O-])c(F)c2)CC1 ZINC001144626519 805015458 /nfs/dbraw/zinc/01/54/58/805015458.db2.gz XNNDKXXNGLKCGZ-UHFFFAOYSA-N -1 3 279.355 3.113 20 0 CGADHM COc1cccc(C(=O)Nc2cc(C)cs2)c1[O-] ZINC001148197681 805167802 /nfs/dbraw/zinc/16/78/02/805167802.db2.gz WWEDHJBOOFYJHI-UHFFFAOYSA-N -1 3 263.318 3.023 20 0 CGADHM Cc1ccc(C(=O)Nc2cc(-c3ccccn3)no2)c([O-])c1 ZINC001148492974 805189449 /nfs/dbraw/zinc/18/94/49/805189449.db2.gz XOOQGTWFJBYBFI-UHFFFAOYSA-N -1 3 295.298 3.003 20 0 CGADHM Cc1ccc(C(=O)Nc2nc3c(cccc3C)[nH]2)c([O-])c1 ZINC001148493748 805189829 /nfs/dbraw/zinc/18/98/29/805189829.db2.gz UXUGJAGWDLKVCW-UHFFFAOYSA-N -1 3 281.315 3.138 20 0 CGADHM Cc1ccc(C(=O)Nc2nc3cccc(C)c3[nH]2)c([O-])c1 ZINC001148493748 805189835 /nfs/dbraw/zinc/18/98/35/805189835.db2.gz UXUGJAGWDLKVCW-UHFFFAOYSA-N -1 3 281.315 3.138 20 0 CGADHM Cc1ccc(C(=O)Nc2cccc3nnc(C)cc32)c([O-])c1 ZINC001148500883 805191761 /nfs/dbraw/zinc/19/17/61/805191761.db2.gz YZTOBFUQKQUDPM-UHFFFAOYSA-N -1 3 293.326 3.205 20 0 CGADHM Cc1ccc(C(=O)Nc2ccc3c(c2C)OCCO3)c([O-])c1 ZINC001148505748 805191961 /nfs/dbraw/zinc/19/19/61/805191961.db2.gz FFKAOUBKAVRLRH-UHFFFAOYSA-N -1 3 299.326 3.033 20 0 CGADHM Cc1nc2ccccc2c(C(=O)NC(C)(C)C2CC2)c1[O-] ZINC001149196507 805224510 /nfs/dbraw/zinc/22/45/10/805224510.db2.gz GQMZIUBYOJLPSF-UHFFFAOYSA-N -1 3 284.359 3.167 20 0 CGADHM Cc1ccc2c(c1)C=C(C(=O)Nc1cccc([O-])c1F)CO2 ZINC001151093040 805281617 /nfs/dbraw/zinc/28/16/17/805281617.db2.gz RORBEAGTRBRYKH-UHFFFAOYSA-N -1 3 299.301 3.254 20 0 CGADHM Cc1nc(Nc2ccc3c(c2)C(=O)CCCC3)cc(=O)[n-]1 ZINC001249890124 805282373 /nfs/dbraw/zinc/28/23/73/805282373.db2.gz ANAKUKZJQHRPNN-UHFFFAOYSA-N -1 3 283.331 3.143 20 0 CGADHM CN(C)c1ccc(Nc2cc(Cl)c([O-])cc2F)cn1 ZINC001250017707 805369700 /nfs/dbraw/zinc/36/97/00/805369700.db2.gz GJNSAMMCCKFVQN-UHFFFAOYSA-N -1 3 281.718 3.389 20 0 CGADHM O=C(Nc1ncccc1[O-])c1cc(-c2ccccc2)ccn1 ZINC001154068608 805431624 /nfs/dbraw/zinc/43/16/24/805431624.db2.gz ZXCHKXRSTSEFSX-UHFFFAOYSA-N -1 3 291.310 3.102 20 0 CGADHM [O-]c1cc(F)c(C[C@@H]2COc3ccccc3O2)c(F)c1 ZINC001250173619 805459863 /nfs/dbraw/zinc/45/98/63/805459863.db2.gz JBPPQDPIUBUOJS-SNVBAGLBSA-N -1 3 278.254 3.053 20 0 CGADHM COc1ccncc1Nc1ccc(Cl)c([O-])c1 ZINC001212589406 815078025 /nfs/dbraw/zinc/07/80/25/815078025.db2.gz JWMNSSLZNKLLGO-UHFFFAOYSA-N -1 3 250.685 3.193 20 0 CGADHM CCOc1cc(Nc2ncc(F)cc2[O-])c(Cl)cn1 ZINC001250212793 805494142 /nfs/dbraw/zinc/49/41/42/805494142.db2.gz XDYMTOSSJCFZHY-UHFFFAOYSA-N -1 3 283.690 3.117 20 0 CGADHM Cc1cccc(S(=O)(=O)[N-]c2cc(F)c(C)cc2F)c1 ZINC001256946824 807012925 /nfs/dbraw/zinc/01/29/25/807012925.db2.gz QERYBSDBOUYKFE-UHFFFAOYSA-N -1 3 297.326 3.382 20 0 CGADHM COc1cccc([C@H](C)SCc2nc(C)cc(=O)[n-]2)c1 ZINC001165815531 807020726 /nfs/dbraw/zinc/02/07/26/807020726.db2.gz DUWZWCQRQHPOBE-NSHDSACASA-N -1 3 290.388 3.494 20 0 CGADHM CCOc1cccc(-c2nnc(CCC(C)C)o2)c1[O-] ZINC001258356397 807426010 /nfs/dbraw/zinc/42/60/10/807426010.db2.gz FRYXZPPRVLFAKI-UHFFFAOYSA-N -1 3 276.336 3.430 20 0 CGADHM Cc1ccccc1Cc1nnc(-c2ccccc2[O-])o1 ZINC001258375424 807431274 /nfs/dbraw/zinc/43/12/74/807431274.db2.gz FBCQVDRCEIHOCE-UHFFFAOYSA-N -1 3 266.300 3.341 20 0 CGADHM CC(C)CS(=O)(=O)[N-]c1ccccc1-c1ccccn1 ZINC001259885037 807692216 /nfs/dbraw/zinc/69/22/16/807692216.db2.gz VZHXWYKWEWYVIG-UHFFFAOYSA-N -1 3 290.388 3.146 20 0 CGADHM CC[C@H](C)S(=O)(=O)[N-]c1ccc2cc(C)ccc2n1 ZINC001260724518 807699990 /nfs/dbraw/zinc/69/99/90/807699990.db2.gz QDHHKDDVCHYVCI-NSHDSACASA-N -1 3 278.377 3.083 20 0 CGADHM CC[C@H](C)S(=O)(=O)[N-]c1cc2c(s1)CCCC2 ZINC001260727023 807700270 /nfs/dbraw/zinc/70/02/70/807700270.db2.gz KERPUEVZMAVXHO-VIFPVBQESA-N -1 3 273.423 3.167 20 0 CGADHM Cc1cc(F)ncc1Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001212814670 815145744 /nfs/dbraw/zinc/14/57/44/815145744.db2.gz LZLURVRRKLMFDB-UHFFFAOYSA-N -1 3 284.294 3.164 20 0 CGADHM O=C([N-]c1cccnc1F)c1oc(C2CC2)nc1C(F)F ZINC001262801399 807907614 /nfs/dbraw/zinc/90/76/14/807907614.db2.gz RKLUVJKNPXJJHQ-UHFFFAOYSA-N -1 3 297.236 3.276 20 0 CGADHM [O-]c1cc(F)c(Nc2cccc3[nH]cnc32)c(F)c1 ZINC001213033607 815206667 /nfs/dbraw/zinc/20/66/67/815206667.db2.gz OYFFNGALCRFPQU-UHFFFAOYSA-N -1 3 261.231 3.290 20 0 CGADHM COc1ccc(Nc2ncc(Cl)cc2[O-])cc1 ZINC001173806009 808680419 /nfs/dbraw/zinc/68/04/19/808680419.db2.gz YNYXQTYITKJHNT-UHFFFAOYSA-N -1 3 250.685 3.193 20 0 CGADHM COc1ccc(Nc2ccc([O-])c(F)c2F)cc1OC ZINC001173887697 808743342 /nfs/dbraw/zinc/74/33/42/808743342.db2.gz VLBZYNKBQZGKOP-UHFFFAOYSA-N -1 3 281.258 3.431 20 0 CGADHM CS(=O)(=O)c1ccccc1Nc1cccc(Cl)c1[O-] ZINC001173989138 808807584 /nfs/dbraw/zinc/80/75/84/808807584.db2.gz JJRVRUAMFKUOBR-UHFFFAOYSA-N -1 3 297.763 3.193 20 0 CGADHM CC(=O)Nc1ccccc1Nc1c(F)cc([O-])cc1F ZINC001173995732 808810159 /nfs/dbraw/zinc/81/01/59/808810159.db2.gz KEQHVWYPWBYJHS-UHFFFAOYSA-N -1 3 278.258 3.372 20 0 CGADHM [O-]c1cccc2sc(Nc3ccc4nccn4c3)nc21 ZINC001174276182 808922407 /nfs/dbraw/zinc/92/24/07/808922407.db2.gz SDLPOPFLEOFFGM-UHFFFAOYSA-N -1 3 282.328 3.393 20 0 CGADHM Cc1ccc(Nc2ccc3ncnn3c2)c(Cl)c1[O-] ZINC001174375301 808982575 /nfs/dbraw/zinc/98/25/75/808982575.db2.gz TUJUJBISPGXFNG-UHFFFAOYSA-N -1 3 274.711 3.140 20 0 CGADHM Cc1ncc(Nc2ccc(F)c(Cl)c2F)c(=O)[n-]1 ZINC001213203548 815254662 /nfs/dbraw/zinc/25/46/62/815254662.db2.gz UDHKVAKYAWKLPY-UHFFFAOYSA-N -1 3 271.654 3.166 20 0 CGADHM COc1cc(Nc2cccc(Cl)c2[O-])cnc1OC ZINC001174545881 809078201 /nfs/dbraw/zinc/07/82/01/809078201.db2.gz KBACRJLLMQBIPP-UHFFFAOYSA-N -1 3 280.711 3.201 20 0 CGADHM [O-]c1cc(F)c(Nc2ccc(O)c(F)c2)c(F)c1 ZINC001174741122 809149120 /nfs/dbraw/zinc/14/91/20/809149120.db2.gz MEDWFQNGBALKJG-UHFFFAOYSA-N -1 3 255.195 3.259 20 0 CGADHM O=c1ccoc2ccc(Nc3cc(Cl)ncc3[O-])cc12 ZINC001174942458 809209506 /nfs/dbraw/zinc/20/95/06/809209506.db2.gz MHILANTZTQOMGK-UHFFFAOYSA-N -1 3 288.690 3.291 20 0 CGADHM [O-]c1c(F)cc(Nc2ncc(C(F)(F)F)cn2)cc1F ZINC001213370299 815270827 /nfs/dbraw/zinc/27/08/27/815270827.db2.gz CIARBHSUARTDRS-UHFFFAOYSA-N -1 3 291.179 3.223 20 0 CGADHM CC(C)(C)c1nnc(Nc2cc(F)c([O-])c(F)c2)o1 ZINC001213370846 815271247 /nfs/dbraw/zinc/27/12/47/815271247.db2.gz NYSCRKWWINNLAG-UHFFFAOYSA-N -1 3 269.251 3.095 20 0 CGADHM COc1cccc(F)c1Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001174991176 809229421 /nfs/dbraw/zinc/22/94/21/809229421.db2.gz QYLVAVKWDPDSTE-UHFFFAOYSA-N -1 3 299.305 3.469 20 0 CGADHM [O-]c1c(F)cc(Nc2cc(C(F)(F)F)cnn2)cc1F ZINC001213377517 815273330 /nfs/dbraw/zinc/27/33/30/815273330.db2.gz SESRLPACEQNDBZ-UHFFFAOYSA-N -1 3 291.179 3.223 20 0 CGADHM [O-]c1cc(F)c(Nc2ncc3ccccc3n2)c(F)c1 ZINC001175094761 809268789 /nfs/dbraw/zinc/26/87/89/809268789.db2.gz QWNQXDZCXZBWJP-UHFFFAOYSA-N -1 3 273.242 3.357 20 0 CGADHM NC(=O)c1ccc(Cl)c(Nc2c(F)cc([O-])cc2F)c1 ZINC001175097073 809269836 /nfs/dbraw/zinc/26/98/36/809269836.db2.gz NRSWCZNPBQORKH-UHFFFAOYSA-N -1 3 298.676 3.166 20 0 CGADHM [O-]c1cc(F)c(Nc2cccc3nccnc32)c(F)c1 ZINC001175097692 809269861 /nfs/dbraw/zinc/26/98/61/809269861.db2.gz ULTSTWGNXLYYDV-UHFFFAOYSA-N -1 3 273.242 3.357 20 0 CGADHM Cc1cc(CO)cc(Nc2c(F)cc([O-])cc2F)c1 ZINC001175102475 809272757 /nfs/dbraw/zinc/27/27/57/809272757.db2.gz MFPJBUGSWOYKPS-UHFFFAOYSA-N -1 3 265.259 3.215 20 0 CGADHM Cc1ccc(C)c(Nc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC001175162497 809294559 /nfs/dbraw/zinc/29/45/59/809294559.db2.gz DXVUKJOFCITXTL-UHFFFAOYSA-N -1 3 255.321 3.420 20 0 CGADHM CCCc1cc(Nc2c(F)ccc([O-])c2F)on1 ZINC001175261507 809327760 /nfs/dbraw/zinc/32/77/60/809327760.db2.gz LERVBFPBIAGCTQ-UHFFFAOYSA-N -1 3 254.236 3.355 20 0 CGADHM [O-]c1ccc(F)c(Nc2nc(F)c(F)cc2F)c1F ZINC001175262502 809328466 /nfs/dbraw/zinc/32/84/66/809328466.db2.gz HFSIFBVBHDAZMT-UHFFFAOYSA-N -1 3 276.164 3.226 20 0 CGADHM [O-]c1ccc(F)c(Nc2c(F)c(F)nc(F)c2F)c1F ZINC001175263177 809330105 /nfs/dbraw/zinc/33/01/05/809330105.db2.gz PTOHTFPZZAEHKB-UHFFFAOYSA-N -1 3 294.154 3.365 20 0 CGADHM CC1(C)COc2cc(Nc3c(F)ccc([O-])c3F)nn2C1 ZINC001175266190 809330980 /nfs/dbraw/zinc/33/09/80/809330980.db2.gz QUDUWWBQFGHFKA-UHFFFAOYSA-N -1 3 295.289 3.029 20 0 CGADHM Nc1ccc(N(c2c(F)ccc([O-])c2F)C2CCC2)nc1 ZINC001175266000 809331396 /nfs/dbraw/zinc/33/13/96/809331396.db2.gz OHEYFDPLEZKJTM-UHFFFAOYSA-N -1 3 291.301 3.338 20 0 CGADHM Cn1ncc2cc(Nc3c(F)ccc([O-])c3F)ccc21 ZINC001175265817 809331443 /nfs/dbraw/zinc/33/14/43/809331443.db2.gz PTCLLOJVSOHITN-UHFFFAOYSA-N -1 3 275.258 3.301 20 0 CGADHM [O-]c1ccc(F)c(Nc2nc(F)ccc2F)c1F ZINC001175266648 809331645 /nfs/dbraw/zinc/33/16/45/809331645.db2.gz VJQTZNJLEQIIMY-UHFFFAOYSA-N -1 3 258.174 3.087 20 0 CGADHM [O-]c1ccc(F)c(Nc2cncnc2C(F)(F)F)c1F ZINC001175265908 809331846 /nfs/dbraw/zinc/33/18/46/809331846.db2.gz MJWOVYMJUTVJIJ-UHFFFAOYSA-N -1 3 291.179 3.223 20 0 CGADHM CCOC(=O)c1cnoc1[N-]c1ccc(C)cc1F ZINC001175320251 809353989 /nfs/dbraw/zinc/35/39/89/809353989.db2.gz BOGDFMVRNIXOLS-UHFFFAOYSA-N -1 3 264.256 3.042 20 0 CGADHM [O-]c1cc(Cl)cnc1Nc1cnc2cccnc2c1 ZINC001175355677 809375589 /nfs/dbraw/zinc/37/55/89/809375589.db2.gz YEVDRENAOSEXBP-UHFFFAOYSA-N -1 3 272.695 3.127 20 0 CGADHM CSc1ccc(C(=O)[N-]c2cc(C(C)(C)F)on2)o1 ZINC001289939980 809397014 /nfs/dbraw/zinc/39/70/14/809397014.db2.gz TTWGIZOSCNNTCK-UHFFFAOYSA-N -1 3 284.312 3.446 20 0 CGADHM Clc1ccc(Nc2ccc(-c3nn[n-]n3)cc2)s1 ZINC001175426802 809400295 /nfs/dbraw/zinc/40/02/95/809400295.db2.gz CSBFQDDNJHCJLR-UHFFFAOYSA-N -1 3 277.740 3.325 20 0 CGADHM CC(=O)c1oc2cccnc2c1[N-]c1cncs1 ZINC001175497580 809431954 /nfs/dbraw/zinc/43/19/54/809431954.db2.gz YUXIPMZABIFFEW-UHFFFAOYSA-N -1 3 259.290 3.231 20 0 CGADHM Cc1cc(F)c(-c2noc(-c3cc(Cl)n[n-]3)n2)cc1F ZINC001213500679 815290636 /nfs/dbraw/zinc/29/06/36/815290636.db2.gz OYTJVPFODHURPP-UHFFFAOYSA-N -1 3 296.664 3.367 20 0 CGADHM Clc1cc(-c2nc(-c3ccccc3Cl)no2)[n-]n1 ZINC001213498767 815290799 /nfs/dbraw/zinc/29/07/99/815290799.db2.gz VDVUQJGQTQDLHM-UHFFFAOYSA-N -1 3 281.102 3.434 20 0 CGADHM Cc1c(F)ccc(-c2noc(-c3cc(Cl)n[n-]3)n2)c1F ZINC001213500619 815290844 /nfs/dbraw/zinc/29/08/44/815290844.db2.gz LNNYAESFECTDRE-UHFFFAOYSA-N -1 3 296.664 3.367 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])c1onc2ccccc21 ZINC001295351711 809485941 /nfs/dbraw/zinc/48/59/41/809485941.db2.gz ZCPMRTIPIGYCEB-UHFFFAOYSA-N -1 3 288.690 3.439 20 0 CGADHM CCOc1ccc(Nc2cc([O-])c(F)cc2F)cn1 ZINC001175741728 809527841 /nfs/dbraw/zinc/52/78/41/809527841.db2.gz JAWZDWLAMJEHNI-UHFFFAOYSA-N -1 3 266.247 3.208 20 0 CGADHM O=C(Nc1c([O-])cccc1Cl)c1cncc(Cl)c1 ZINC001298551039 809533582 /nfs/dbraw/zinc/53/35/82/809533582.db2.gz SKRAEQKLLKCSJA-UHFFFAOYSA-N -1 3 283.114 3.346 20 0 CGADHM O=C(Cc1cnccc1Cl)Nc1c([O-])cccc1Cl ZINC001298549639 809533606 /nfs/dbraw/zinc/53/36/06/809533606.db2.gz ABNSYURFIUENCH-UHFFFAOYSA-N -1 3 297.141 3.275 20 0 CGADHM COc1cc(Nc2ncc(F)cc2[O-])ccc1Cl ZINC001175773529 809539583 /nfs/dbraw/zinc/53/95/83/809539583.db2.gz XUPUAKGASFAWFF-UHFFFAOYSA-N -1 3 268.675 3.332 20 0 CGADHM CCOc1ccc(NC(=O)c2ccc(C)cc2[O-])c(F)c1 ZINC001299539159 809551116 /nfs/dbraw/zinc/55/11/16/809551116.db2.gz SPQMYNPUCBGEMX-UHFFFAOYSA-N -1 3 289.306 3.491 20 0 CGADHM C[C@@H]1CCCCN1NC(=O)c1cc2sccc2c([O-])c1 ZINC001300110219 809562468 /nfs/dbraw/zinc/56/24/68/809562468.db2.gz LXNAQLQBSZTNDA-SNVBAGLBSA-N -1 3 290.388 3.126 20 0 CGADHM O=C(N[C@H]1C=CCC1)c1cc(Cc2ccccc2)ccc1[O-] ZINC001300454067 809568246 /nfs/dbraw/zinc/56/82/46/809568246.db2.gz SRQUQEASUIGMEP-INIZCTEOSA-N -1 3 293.366 3.431 20 0 CGADHM CC[C@@H](NC(=O)c1c(C)cccc1[O-])C(=O)c1ccccc1 ZINC001302927647 809602474 /nfs/dbraw/zinc/60/24/74/809602474.db2.gz DTAOJXFGRUGNOS-CQSZACIVSA-N -1 3 297.354 3.092 20 0 CGADHM CCc1ccc(NC(=O)c2cc([O-])ccc2Cl)nc1 ZINC001303008462 809603038 /nfs/dbraw/zinc/60/30/38/809603038.db2.gz NGYGKUBJGNDIFF-UHFFFAOYSA-N -1 3 276.723 3.255 20 0 CGADHM Cc1noc(C)c1[N-]c1ncc(Cl)nc1Cl ZINC001176175404 809639909 /nfs/dbraw/zinc/63/99/09/809639909.db2.gz CGMIRUHLQRRBOI-UHFFFAOYSA-N -1 3 259.096 3.132 20 0 CGADHM O=C1Cc2cc(Nc3ccc([O-])c(Cl)c3)ccc2N1 ZINC001176428683 809694093 /nfs/dbraw/zinc/69/40/93/809694093.db2.gz NOKRZOKKUMDOQQ-UHFFFAOYSA-N -1 3 274.707 3.284 20 0 CGADHM Cc1cc(Nc2cnc[n-]c2=O)c(F)cc1Cl ZINC001176523049 809711210 /nfs/dbraw/zinc/71/12/10/809711210.db2.gz JZRFQHBVKCYNEN-UHFFFAOYSA-N -1 3 253.664 3.027 20 0 CGADHM COc1ccc(O)cc1Nc1cc([O-])c(F)cc1F ZINC001176579491 809722128 /nfs/dbraw/zinc/72/21/28/809722128.db2.gz QLEIBYASLLHUKY-UHFFFAOYSA-N -1 3 267.231 3.128 20 0 CGADHM CCOc1cc(Nc2cc(F)c([O-])cc2F)c(F)cn1 ZINC001176603873 809729771 /nfs/dbraw/zinc/72/97/71/809729771.db2.gz OYPQHASZHYPSIE-UHFFFAOYSA-N -1 3 284.237 3.347 20 0 CGADHM CCc1ccc(C(=O)N2CC(F)(F)CC[C@H]2C)c([O-])c1 ZINC001180693316 810018294 /nfs/dbraw/zinc/01/82/94/810018294.db2.gz PSRNXBVLYZLQFR-SNVBAGLBSA-N -1 3 283.318 3.214 20 0 CGADHM CCC1(CC)C[C@@H]1C(=O)Nc1c([O-])cccc1C(C)=O ZINC001181886290 810080382 /nfs/dbraw/zinc/08/03/82/810080382.db2.gz KHOXTFRGFZIIHX-GFCCVEGCSA-N -1 3 275.348 3.360 20 0 CGADHM C[C@@H](C(=O)Nc1cncc([O-])c1)c1ccccc1Cl ZINC001184473935 810202145 /nfs/dbraw/zinc/20/21/45/810202145.db2.gz QDSOQRZGQQUXDY-SECBINFHSA-N -1 3 276.723 3.183 20 0 CGADHM CC(=O)c1ccc(NC(=O)c2ccc([O-])cc2C)c(F)c1 ZINC001186192484 810320004 /nfs/dbraw/zinc/32/00/04/810320004.db2.gz VTCTVZPGEJULHQ-UHFFFAOYSA-N -1 3 287.290 3.295 20 0 CGADHM Cc1ccc(NC(=O)NCCC(F)(F)F)c(Cl)c1[O-] ZINC001187010729 810378311 /nfs/dbraw/zinc/37/83/11/810378311.db2.gz RRCPKNWIMWASDY-UHFFFAOYSA-N -1 3 296.676 3.428 20 0 CGADHM Cc1cc(C)cc(-c2noc(-c3ccc(F)c(=O)[n-]3)n2)c1 ZINC001214085055 815366172 /nfs/dbraw/zinc/36/61/72/815366172.db2.gz DPMLBRISZPRKOK-UHFFFAOYSA-N -1 3 285.278 3.260 20 0 CGADHM Cc1ccc(-c2noc(-c3ccc(F)c(=O)[n-]3)n2)c(F)c1 ZINC001214085432 815366292 /nfs/dbraw/zinc/36/62/92/815366292.db2.gz OMLYZMRUGMNPOZ-UHFFFAOYSA-N -1 3 289.241 3.091 20 0 CGADHM [O-]c1ccc(Nc2c(F)cc(CO)cc2F)c(F)c1F ZINC001214095039 815368010 /nfs/dbraw/zinc/36/80/10/815368010.db2.gz MOQBXAUOXJISSF-UHFFFAOYSA-N -1 3 287.212 3.185 20 0 CGADHM Cc1cccc([O-])c1C(=O)NCc1ccc2c(ccn2C)c1 ZINC001188639036 810497537 /nfs/dbraw/zinc/49/75/37/810497537.db2.gz UMGUZDJQLWLMDY-UHFFFAOYSA-N -1 3 294.354 3.122 20 0 CGADHM Cc1cccc([O-])c1C(=O)Nc1cccc2cc[nH]c21 ZINC001188654799 810499997 /nfs/dbraw/zinc/49/99/97/810499997.db2.gz GYTMHYMHUQOYMX-UHFFFAOYSA-N -1 3 266.300 3.434 20 0 CGADHM Cc1cccc([O-])c1C(=O)Nc1ccc2c(c1C)OCCO2 ZINC001188655276 810500777 /nfs/dbraw/zinc/50/07/77/810500777.db2.gz MPRMLCBMXDDMEH-UHFFFAOYSA-N -1 3 299.326 3.033 20 0 CGADHM O=C(Nc1cnc[n-]c1=O)Nc1cc(Cl)ccc1Cl ZINC001188968225 810528227 /nfs/dbraw/zinc/52/82/27/810528227.db2.gz BUIOTUYOMKCGQS-UHFFFAOYSA-N -1 3 299.117 3.133 20 0 CGADHM CCc1cc(C(=O)[N-]c2cc(Cl)cc3ncoc32)no1 ZINC001190007888 810601521 /nfs/dbraw/zinc/60/15/21/810601521.db2.gz IXNYCZLUANYXAC-UHFFFAOYSA-N -1 3 291.694 3.284 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2ccc(F)c(C)c2Cl)n1 ZINC001191354171 810705204 /nfs/dbraw/zinc/70/52/04/810705204.db2.gz MXIYUJXHFRNAJL-UHFFFAOYSA-N -1 3 294.713 3.449 20 0 CGADHM O=C(Nc1ccc(F)c([O-])c1)c1ccnc(C2CC2)c1 ZINC001193007314 810842162 /nfs/dbraw/zinc/84/21/62/810842162.db2.gz KCNLHCFTGUSCTA-UHFFFAOYSA-N -1 3 272.279 3.056 20 0 CGADHM Cc1cc(O)cc([O-])c1C(=O)N[C@@H]1C[C@H](C)c2ccccc21 ZINC001193946615 810984896 /nfs/dbraw/zinc/98/48/96/810984896.db2.gz VUMYZZLIQRHRDY-ZUZCIYMTSA-N -1 3 297.354 3.385 20 0 CGADHM CCCC[C@H](CC)COC(=O)NCc1ncccc1[O-] ZINC001193972780 810989256 /nfs/dbraw/zinc/98/92/56/810989256.db2.gz IVHZWAGIGSXDMJ-LBPRGKRZSA-N -1 3 280.368 3.230 20 0 CGADHM Cc1ncc(NC(=O)Oc2ccc3ccccc3c2)c(=O)[n-]1 ZINC001194632840 811098980 /nfs/dbraw/zinc/09/89/80/811098980.db2.gz GHWSVECLRHTBDX-UHFFFAOYSA-N -1 3 295.298 3.255 20 0 CGADHM Nc1ccn(-c2c(Cl)ccc([O-])c2F)c2nccc1-2 ZINC001214553811 815422132 /nfs/dbraw/zinc/42/21/32/815422132.db2.gz ARWRUCMTTWMAGR-UHFFFAOYSA-N -1 3 277.686 3.057 20 0 CGADHM Cc1cnc(Nc2c(Cl)ccc([O-])c2F)c(N)c1 ZINC001214556096 815422963 /nfs/dbraw/zinc/42/29/63/815422963.db2.gz KDZRLTVAYMMYNH-UHFFFAOYSA-N -1 3 267.691 3.214 20 0 CGADHM Cc1ccc(F)cc1NC(=O)c1cnc(C(F)(F)F)[n-]1 ZINC001194771069 811131186 /nfs/dbraw/zinc/13/11/86/811131186.db2.gz ZXXVSOVPCPMMPT-UHFFFAOYSA-N -1 3 287.216 3.128 20 0 CGADHM O=c1cc(Nc2c(Cl)ccc([O-])c2F)nc(C2CC2)[nH]1 ZINC001214554573 815423703 /nfs/dbraw/zinc/42/37/03/815423703.db2.gz VDANUIUMTNPEQH-UHFFFAOYSA-N -1 3 295.701 3.301 20 0 CGADHM COc1nc(C)ncc1Nc1c(Cl)ccc([O-])c1F ZINC001214556406 815423711 /nfs/dbraw/zinc/42/37/11/815423711.db2.gz RHFGVSCZDBLBBB-UHFFFAOYSA-N -1 3 283.690 3.035 20 0 CGADHM COC(=O)c1cccc(Nc2cc([O-])c(F)cc2F)c1F ZINC001214578949 815426435 /nfs/dbraw/zinc/42/64/35/815426435.db2.gz NMUURNNRDXFPSX-UHFFFAOYSA-N -1 3 297.232 3.340 20 0 CGADHM Cc1ccc([O-])c(C(=O)N[C@H]2C[C@H](C)c3ccccc32)n1 ZINC001195332176 811242417 /nfs/dbraw/zinc/24/24/17/811242417.db2.gz MUOPDWNGQHDWLT-HZMBPMFUSA-N -1 3 282.343 3.074 20 0 CGADHM [O-]c1cccc(F)c1NC(=S)NCc1ccccc1 ZINC001195624210 811271126 /nfs/dbraw/zinc/27/11/26/811271126.db2.gz RNHCECBDKRJCNX-UHFFFAOYSA-N -1 3 276.336 3.018 20 0 CGADHM CC(C)C(=O)Nc1ccc(Nc2ncc(F)cc2[O-])cc1 ZINC001197679096 811444908 /nfs/dbraw/zinc/44/49/08/811444908.db2.gz PEMJLSVUVIFJDY-UHFFFAOYSA-N -1 3 289.310 3.264 20 0 CGADHM Cc1ccc(NC(=S)NCc2ccco2)c(Cl)c1[O-] ZINC001200567326 811713282 /nfs/dbraw/zinc/71/32/82/811713282.db2.gz CKIBWUKDPSRRIL-UHFFFAOYSA-N -1 3 296.779 3.434 20 0 CGADHM O=C(Nc1ccccc1)Nc1ncc([O-])cc1Cl ZINC001201949603 811980213 /nfs/dbraw/zinc/98/02/13/811980213.db2.gz WBVKMRFOENDWHF-UHFFFAOYSA-N -1 3 263.684 3.085 20 0 CGADHM O=C(Nc1ncc([O-])cc1Cl)Nc1c(F)cccc1F ZINC001202035009 812001605 /nfs/dbraw/zinc/00/16/05/812001605.db2.gz MFUUBXVHYKRYEH-UHFFFAOYSA-N -1 3 299.664 3.363 20 0 CGADHM Cc1ccccc1NC(=O)Nc1cc(F)ccc1[O-] ZINC001202185640 812032830 /nfs/dbraw/zinc/03/28/30/812032830.db2.gz BKVKJXQKJVEQPM-UHFFFAOYSA-N -1 3 260.268 3.484 20 0 CGADHM COc1cccc(NC(=O)Nc2cc(F)ccc2[O-])c1 ZINC001202276295 812055035 /nfs/dbraw/zinc/05/50/35/812055035.db2.gz NOTAMSDSFGZCCU-UHFFFAOYSA-N -1 3 276.267 3.184 20 0 CGADHM Cc1ccc(NC(=O)Nc2ccc(F)c([O-])c2)cc1 ZINC001202429559 812090782 /nfs/dbraw/zinc/09/07/82/812090782.db2.gz BBZOEZTZECTQII-UHFFFAOYSA-N -1 3 260.268 3.484 20 0 CGADHM CCc1cnn2cc(Nc3cc(F)c([O-])cc3F)cnc12 ZINC001215572725 815538281 /nfs/dbraw/zinc/53/82/81/815538281.db2.gz RRBWJLILCKWRGK-UHFFFAOYSA-N -1 3 290.273 3.019 20 0 CGADHM [O-]c1c(F)cc(Nc2cc3n[nH]cc3c(F)c2)cc1F ZINC001215556232 815534135 /nfs/dbraw/zinc/53/41/35/815534135.db2.gz XYDGFXSTYKTFQJ-UHFFFAOYSA-N -1 3 279.221 3.429 20 0 CGADHM [O-]c1c(F)cc(Nc2cc3[nH]ncc3c(F)c2)cc1F ZINC001215556232 815534140 /nfs/dbraw/zinc/53/41/40/815534140.db2.gz XYDGFXSTYKTFQJ-UHFFFAOYSA-N -1 3 279.221 3.429 20 0 CGADHM [O-]c1cc(F)c(Nc2cccc3nccn32)cc1F ZINC001215570569 815536007 /nfs/dbraw/zinc/53/60/07/815536007.db2.gz TUORKTJFHQFMDF-UHFFFAOYSA-N -1 3 261.231 3.062 20 0 CGADHM [O-]c1cc(F)c(Nc2cn(CC3CCC3)cn2)cc1F ZINC001215572612 815537615 /nfs/dbraw/zinc/53/76/15/815537615.db2.gz NBWYVTGVAYDWCT-UHFFFAOYSA-N -1 3 279.290 3.411 20 0 CGADHM Nc1cc2cn(-c3cc(F)c([O-])cc3F)nc2cc1Cl ZINC001215574335 815538967 /nfs/dbraw/zinc/53/89/67/815538967.db2.gz RIJSOSYAJXNSSO-UHFFFAOYSA-N -1 3 295.676 3.245 20 0 CGADHM Cc1cc2cc([N-]c3nnc(C(C)(C)C)o3)cnc2[nH]1 ZINC001204892108 812766225 /nfs/dbraw/zinc/76/62/25/812766225.db2.gz WWFRAMIIBFZFPI-UHFFFAOYSA-N -1 3 271.324 3.295 20 0 CGADHM COCOc1cc(C)ccc1[N-]c1nnc(C(C)(C)C)o1 ZINC001205440280 812983699 /nfs/dbraw/zinc/98/36/99/812983699.db2.gz BQPRBJCSQLLNOD-UHFFFAOYSA-N -1 3 291.351 3.402 20 0 CGADHM Cc1cc2[nH]ccc2c(-c2ccsc2C(=O)[O-])n1 ZINC001205542443 812998538 /nfs/dbraw/zinc/99/85/38/812998538.db2.gz FKMPRJKIYYCKSL-UHFFFAOYSA-N -1 3 258.302 3.298 20 0 CGADHM Cc1cnc(-c2ccc([O-])cc2F)nc1NCC1CC1 ZINC001206021195 813168586 /nfs/dbraw/zinc/16/85/86/813168586.db2.gz JDRNRBJVDLDWAU-UHFFFAOYSA-N -1 3 273.311 3.119 20 0 CGADHM [O-]c1ccc(-c2nccnc2C(F)(F)F)c(F)c1 ZINC001206037676 813175796 /nfs/dbraw/zinc/17/57/96/813175796.db2.gz KTMKHMWWDHIFQF-UHFFFAOYSA-N -1 3 258.174 3.007 20 0 CGADHM O=c1c(-c2ccc([O-])cc2F)cccn1-c1cccc(F)c1 ZINC001206080336 813192868 /nfs/dbraw/zinc/19/28/68/813192868.db2.gz JWVYOFFUKHSIBO-UHFFFAOYSA-N -1 3 299.276 3.488 20 0 CGADHM CC1(C)CCC[C@H](CNCc2ccc([O-])c(F)c2F)O1 ZINC001207735598 813641404 /nfs/dbraw/zinc/64/14/04/813641404.db2.gz LGXDJQCPFKFTLT-LLVKDONJSA-N -1 3 285.334 3.108 20 0 CGADHM CCc1cncc(Nc2cc([O-])c(F)cc2F)c1 ZINC001209191189 813960918 /nfs/dbraw/zinc/96/09/18/813960918.db2.gz LNCOZYNOFKGANT-UHFFFAOYSA-N -1 3 250.248 3.371 20 0 CGADHM COc1cc(Cl)ccc1Nc1ncc(F)cc1[O-] ZINC001209907839 814196653 /nfs/dbraw/zinc/19/66/53/814196653.db2.gz AWAXKHZFCGXLCQ-UHFFFAOYSA-N -1 3 268.675 3.332 20 0 CGADHM Nc1ccc2nn(-c3ccc(F)cc3[O-])c(Cl)c2c1 ZINC001210017067 814246563 /nfs/dbraw/zinc/24/65/63/814246563.db2.gz SYJBHCGBWVGANT-UHFFFAOYSA-N -1 3 277.686 3.106 20 0 CGADHM CC(C)c1nnc([N-]c2cccc(Cl)c2O)o1 ZINC001210217258 814346072 /nfs/dbraw/zinc/34/60/72/814346072.db2.gz WRKWDEIPIJFTOH-UHFFFAOYSA-N -1 3 253.689 3.296 20 0 CGADHM CC(C)c1nnc(Nc2cccc(Cl)c2[O-])o1 ZINC001210217258 814346082 /nfs/dbraw/zinc/34/60/82/814346082.db2.gz WRKWDEIPIJFTOH-UHFFFAOYSA-N -1 3 253.689 3.296 20 0 CGADHM CCOC(=O)c1cncc(Nc2cccc(Cl)c2[O-])c1 ZINC001210216596 814347517 /nfs/dbraw/zinc/34/75/17/814347517.db2.gz YJNVVEHZLDLRKU-UHFFFAOYSA-N -1 3 292.722 3.361 20 0 CGADHM O=C1COc2cc(Nc3cccc(Cl)c3[O-])ccc2N1 ZINC001210221909 814348299 /nfs/dbraw/zinc/34/82/99/814348299.db2.gz CJUCHMVDWBUZQC-UHFFFAOYSA-N -1 3 290.706 3.120 20 0 CGADHM [O-]c1cc(Br)cnc1Nc1cc(O)ccc1F ZINC001210798966 814631762 /nfs/dbraw/zinc/63/17/62/814631762.db2.gz LNLAWRFUMMUZAD-UHFFFAOYSA-N -1 3 299.099 3.138 20 0 CGADHM CCc1cnc(-c2cc([O-])cc(C(F)(F)F)c2)nc1 ZINC001242780645 823131155 /nfs/dbraw/zinc/13/11/55/823131155.db2.gz VJPUECVIRPAQER-UHFFFAOYSA-N -1 3 268.238 3.430 20 0 CGADHM Cc1ncc(Nc2cc(F)c(Cl)c(F)c2)c(=O)[n-]1 ZINC001210842195 814649727 /nfs/dbraw/zinc/64/97/27/814649727.db2.gz HQHFAFOPKKLTIF-UHFFFAOYSA-N -1 3 271.654 3.166 20 0 CGADHM [O-]c1cccc(Nc2ccnc3cccnc32)c1Cl ZINC001210852232 814650340 /nfs/dbraw/zinc/65/03/40/814650340.db2.gz XXAJKABJQWPZSN-UHFFFAOYSA-N -1 3 271.707 3.154 20 0 CGADHM CNC(=O)Cc1cccc(Nc2cccc([O-])c2Cl)c1 ZINC001210855066 814651995 /nfs/dbraw/zinc/65/19/95/814651995.db2.gz RIRUWEAQIXZMCA-UHFFFAOYSA-N -1 3 290.750 3.078 20 0 CGADHM NC(=O)c1c(F)cccc1Nc1cccc([O-])c1Cl ZINC001210854306 814652029 /nfs/dbraw/zinc/65/20/29/814652029.db2.gz OICZDTCSGNLYNW-UHFFFAOYSA-N -1 3 280.686 3.027 20 0 CGADHM CCCn1nccc1Nc1nc2c(cccc2[O-])s1 ZINC001210912155 814670762 /nfs/dbraw/zinc/67/07/62/814670762.db2.gz GGBCFWTYPHQQKO-UHFFFAOYSA-N -1 3 274.349 3.352 20 0 CGADHM COC(=O)Cc1ccc([O-])c(N=C(C)c2ccccc2)c1 ZINC001210986932 814698943 /nfs/dbraw/zinc/69/89/43/814698943.db2.gz DTWUAXSSBLUBLZ-UHFFFAOYSA-N -1 3 283.327 3.191 20 0 CGADHM COC(=O)c1ccc(Nc2ncc(Cl)cc2[O-])cc1C ZINC001211168643 814840248 /nfs/dbraw/zinc/84/02/48/814840248.db2.gz JJMYGDIJZIKLAG-UHFFFAOYSA-N -1 3 292.722 3.279 20 0 CGADHM Cn1cncc1Nc1cc(Cl)cc(Cl)c1[O-] ZINC001211249826 814860433 /nfs/dbraw/zinc/86/04/33/814860433.db2.gz DAWFOUYOBOKBRD-UHFFFAOYSA-N -1 3 258.108 3.176 20 0 CGADHM Cc1ccc(-c2cccc(OC3CC3)c2)cc1-c1nnn[n-]1 ZINC001242805626 823139491 /nfs/dbraw/zinc/13/94/91/823139491.db2.gz OGHRKZLADNVHTI-UHFFFAOYSA-N -1 3 292.342 3.383 20 0 CGADHM Cc1ccc(-c2cccc(OC3CC3)c2)cc1-c1nn[n-]n1 ZINC001242805626 823139494 /nfs/dbraw/zinc/13/94/94/823139494.db2.gz OGHRKZLADNVHTI-UHFFFAOYSA-N -1 3 292.342 3.383 20 0 CGADHM CSc1cc(F)c(Nc2cc(=O)[n-]c(C)n2)c(F)c1 ZINC001215840883 815610845 /nfs/dbraw/zinc/61/08/45/815610845.db2.gz IGECMTZXZKADID-UHFFFAOYSA-N -1 3 283.303 3.234 20 0 CGADHM Fc1ncc(C2CC2)cc1[N-]c1noc2cccnc21 ZINC001215953475 815639803 /nfs/dbraw/zinc/63/98/03/815639803.db2.gz SWYIJOLZQHCUOM-UHFFFAOYSA-N -1 3 270.267 3.378 20 0 CGADHM Cc1nc(Nc2cnc(F)c(-c3ccccc3)c2)cc(=O)[n-]1 ZINC001215958789 815641949 /nfs/dbraw/zinc/64/19/49/815641949.db2.gz KEFNIDDZOKVWKA-UHFFFAOYSA-N -1 3 296.305 3.435 20 0 CGADHM CCOc1ccc(Nc2cc(=O)[n-]c(C)n2)c(C)c1C ZINC001215988746 815653446 /nfs/dbraw/zinc/65/34/46/815653446.db2.gz MYVXHCAEAGJWDO-UHFFFAOYSA-N -1 3 273.336 3.250 20 0 CGADHM CCOc1cc(C)cc(F)c1Nc1cnc(C)[n-]c1=O ZINC001216368947 815799945 /nfs/dbraw/zinc/79/99/45/815799945.db2.gz QGCDOIXJHGPNQM-UHFFFAOYSA-N -1 3 277.299 3.080 20 0 CGADHM COc1cc(C)c(C)cc1Nc1ncc(F)cc1[O-] ZINC001216373585 815802727 /nfs/dbraw/zinc/80/27/27/815802727.db2.gz RCCXNYCGVHRPCR-UHFFFAOYSA-N -1 3 262.284 3.295 20 0 CGADHM [O-]c1cc(F)cnc1Nc1cc(Cl)ccc1O ZINC001216397216 815811503 /nfs/dbraw/zinc/81/15/03/815811503.db2.gz CWJRJJYKRQLCLE-UHFFFAOYSA-N -1 3 254.648 3.029 20 0 CGADHM Cc1cc(-c2noc(-c3nc4ccccc4[n-]3)n2)cc(C)n1 ZINC001217135630 815910779 /nfs/dbraw/zinc/91/07/79/815910779.db2.gz INXBLPVUKFPHDX-UHFFFAOYSA-N -1 3 291.314 3.292 20 0 CGADHM O=C(C[C@@H]1Cc2ccccc2CN1)Nc1ccccc1[S-] ZINC001218830782 816254547 /nfs/dbraw/zinc/25/45/47/816254547.db2.gz LXKLIZBKJZFTLT-AWEZNQCLSA-N -1 3 298.411 3.018 20 0 CGADHM CSc1ccc(-c2ccc(=S)[n-]n2)cc1F ZINC001242977321 823196551 /nfs/dbraw/zinc/19/65/51/823196551.db2.gz XNYIANNNUARTML-UHFFFAOYSA-N -1 3 252.339 3.293 20 0 CGADHM COc1cc(C)ccc1-c1ccc(-c2nnn[n-]2)cc1C ZINC001242983449 823198581 /nfs/dbraw/zinc/19/85/81/823198581.db2.gz PJWWSYCPUVBTRT-UHFFFAOYSA-N -1 3 280.331 3.159 20 0 CGADHM COc1cc(C)ccc1-c1ccc(-c2nn[n-]n2)cc1C ZINC001242983449 823198585 /nfs/dbraw/zinc/19/85/85/823198585.db2.gz PJWWSYCPUVBTRT-UHFFFAOYSA-N -1 3 280.331 3.159 20 0 CGADHM CC(C)Cn1ccc(-c2ccc(F)c([O-])c2)cc1=O ZINC001243046801 823223991 /nfs/dbraw/zinc/22/39/91/823223991.db2.gz LUOZQMCAMNBIQH-UHFFFAOYSA-N -1 3 261.296 3.016 20 0 CGADHM [O-]c1cc(-c2cc(-c3ccncc3)ncn2)ccc1F ZINC001243047835 823225099 /nfs/dbraw/zinc/22/50/99/823225099.db2.gz ATOMOWLZVKKJPQ-UHFFFAOYSA-N -1 3 267.263 3.050 20 0 CGADHM [O-]c1cc(-c2cc(C(F)(F)F)cn3ncnc23)ccc1F ZINC001243050416 823227399 /nfs/dbraw/zinc/22/73/99/823227399.db2.gz VNMHLRLAXVZESA-UHFFFAOYSA-N -1 3 297.211 3.260 20 0 CGADHM C[S@@](=N)(=O)c1ccc(-c2ccc(F)c([O-])c2)cc1 ZINC001243051043 823227486 /nfs/dbraw/zinc/22/74/86/823227486.db2.gz KOMNROBJWBBXJX-GOSISDBHSA-N -1 3 265.309 3.234 20 0 CGADHM COCOc1ccc(C)cc1-c1ccc(F)c([O-])c1 ZINC001243050914 823227587 /nfs/dbraw/zinc/22/75/87/823227587.db2.gz HUQNMINNZUVOJX-UHFFFAOYSA-N -1 3 262.280 3.489 20 0 CGADHM Cc1nc2ccc(-c3ccc(F)c([O-])c3)cc2c(=O)o1 ZINC001243051970 823228754 /nfs/dbraw/zinc/22/87/54/823228754.db2.gz RFKCCDWMOVZMIU-UHFFFAOYSA-N -1 3 271.247 3.008 20 0 CGADHM [O-]c1cc(-c2ncccc2-n2cccc2)ccc1F ZINC001243054797 823229863 /nfs/dbraw/zinc/22/98/63/823229863.db2.gz TWWRHCZSLKJFQC-UHFFFAOYSA-N -1 3 254.264 3.384 20 0 CGADHM Cc1cnc(=S)[n-]c1O[C@@H]1CCc2ccccc21 ZINC001225739642 817162999 /nfs/dbraw/zinc/16/29/99/817162999.db2.gz SANVDIBMACBMQD-GFCCVEGCSA-N -1 3 258.346 3.140 20 0 CGADHM COCc1cc(O[C@@H](C)c2cccs2)[n-]c(=S)n1 ZINC001225932123 817221675 /nfs/dbraw/zinc/22/16/75/817221675.db2.gz KGXCPPMBUVHCHL-QMMMGPOBSA-N -1 3 282.390 3.113 20 0 CGADHM CC(=O)c1ccc([O-])c(O[C@@H](C)Cc2ccco2)c1 ZINC001225993689 817242317 /nfs/dbraw/zinc/24/23/17/817242317.db2.gz JSUUQUSGTBACJU-JTQLQIEISA-N -1 3 260.289 3.198 20 0 CGADHM CC(=O)c1ccc([O-])c(O[C@@H]2CCOc3ccccc32)c1 ZINC001225995914 817243688 /nfs/dbraw/zinc/24/36/88/817243688.db2.gz VGCVIGQXBVCKPV-MRXNPFEDSA-N -1 3 284.311 3.497 20 0 CGADHM C[C@H]1CC[C@@H](Oc2c([O-])ccc3ccc(=O)oc32)CC1 ZINC001226598138 817409666 /nfs/dbraw/zinc/40/96/66/817409666.db2.gz BXUQAICITGQNIC-KLPPZKSPSA-N -1 3 274.316 3.456 20 0 CGADHM COC(C)(C)C[C@H](C)Oc1c([O-])ccc2ccc(=O)oc21 ZINC001226598536 817410138 /nfs/dbraw/zinc/41/01/38/817410138.db2.gz DPOIHODIDHENSH-JTQLQIEISA-N -1 3 292.331 3.081 20 0 CGADHM [O-]c1cccc(OC[C@@H]2COc3cscc3O2)c1Cl ZINC001226708665 817440692 /nfs/dbraw/zinc/44/06/92/817440692.db2.gz HTQHXEWFFIXBTD-MRVPVSSYSA-N -1 3 298.747 3.326 20 0 CGADHM CC1(C)CC[C@@H](COc2cccc([O-])c2Cl)O1 ZINC001226713079 817443768 /nfs/dbraw/zinc/44/37/68/817443768.db2.gz YOPQEWHSPQELJW-VIFPVBQESA-N -1 3 256.729 3.382 20 0 CGADHM Cc1ccc2c(c1)CC[C@H]2Oc1cc(C)nc(=S)[n-]1 ZINC001226800453 817469748 /nfs/dbraw/zinc/46/97/48/817469748.db2.gz HCJICUNBVHWUJC-CYBMUJFWSA-N -1 3 272.373 3.448 20 0 CGADHM Cc1cc(O[C@H]2CCc3cccc(C)c32)[n-]c(=S)n1 ZINC001226800648 817469958 /nfs/dbraw/zinc/46/99/58/817469958.db2.gz IOAWULUGBDEIGA-LBPRGKRZSA-N -1 3 272.373 3.448 20 0 CGADHM Cc1cccc2c1CC[C@H]2Oc1ccnc(=S)[n-]1 ZINC001226937967 817510151 /nfs/dbraw/zinc/51/01/51/817510151.db2.gz UXPWCZNSTHWNRI-GFCCVEGCSA-N -1 3 258.346 3.140 20 0 CGADHM Cc1ccc2c(c1)[C@@H](Oc1ccnc(=S)[n-]1)CC2 ZINC001226936569 817510403 /nfs/dbraw/zinc/51/04/03/817510403.db2.gz IYDPZYMWCKSPIF-LBPRGKRZSA-N -1 3 258.346 3.140 20 0 CGADHM Cc1ccc(Cl)cc1[C@H](C)Oc1cnc[n-]c1=O ZINC001227048341 817543279 /nfs/dbraw/zinc/54/32/79/817543279.db2.gz CYSHFHTZELDYQH-VIFPVBQESA-N -1 3 264.712 3.284 20 0 CGADHM C[C@@H](Cc1ccco1)Oc1cc(=O)cc(C(F)(F)F)[n-]1 ZINC001227584816 817676471 /nfs/dbraw/zinc/67/64/71/817676471.db2.gz VEYOEEDWXRXNDP-QMMMGPOBSA-N -1 3 287.237 3.409 20 0 CGADHM O=c1cc(O[C@@H]2C=CCCC2)[n-]c(C(F)(F)F)c1 ZINC001227585215 817676492 /nfs/dbraw/zinc/67/64/92/817676492.db2.gz AJZGHPIWRZMKNH-SECBINFHSA-N -1 3 259.227 3.294 20 0 CGADHM COC(=O)c1ccc([O-])c(O[C@H]2C[C@@H](C)CC(C)(C)C2)n1 ZINC001227819522 817726442 /nfs/dbraw/zinc/72/64/42/817726442.db2.gz CHKQMCNKEDDPCB-MNOVXSKESA-N -1 3 293.363 3.167 20 0 CGADHM COC(C)(C)C[C@H](C)Oc1ncc(Cl)cc1[O-] ZINC001227983945 817772846 /nfs/dbraw/zinc/77/28/46/817772846.db2.gz XGNAGCKPNGNCHM-QMMMGPOBSA-N -1 3 259.733 3.023 20 0 CGADHM CCC1CCC(Oc2[n-]c(=O)nc3cccnc32)CC1 ZINC001228005745 817781929 /nfs/dbraw/zinc/78/19/29/817781929.db2.gz UJZFNWASKYOUPU-UHFFFAOYSA-N -1 3 273.336 3.078 20 0 CGADHM CCCc1c([O-])ccc(C(C)=O)c1O[C@@H]1CCOC[C@@H]1F ZINC001228136688 817821547 /nfs/dbraw/zinc/82/15/47/817821547.db2.gz PTJWZBVJLKYZPT-DZGCQCFKSA-N -1 3 296.338 3.053 20 0 CGADHM C[C@@H](Oc1nnc(-c2cccnc2)[n-]1)c1ccc(F)cc1 ZINC001228696473 817977916 /nfs/dbraw/zinc/97/79/16/817977916.db2.gz XVOSUVRXXUWAHX-SNVBAGLBSA-N -1 3 284.294 3.146 20 0 CGADHM C[C@@H](Oc1nc(-c2cccnc2)n[n-]1)c1ccc(F)cc1 ZINC001228696473 817977921 /nfs/dbraw/zinc/97/79/21/817977921.db2.gz XVOSUVRXXUWAHX-SNVBAGLBSA-N -1 3 284.294 3.146 20 0 CGADHM C[C@@H](Oc1n[n-]c(-c2cccnc2)n1)c1ccc(F)cc1 ZINC001228696473 817977927 /nfs/dbraw/zinc/97/79/27/817977927.db2.gz XVOSUVRXXUWAHX-SNVBAGLBSA-N -1 3 284.294 3.146 20 0 CGADHM C[C@@H](Oc1n[n-]c(-c2ccncc2)n1)c1cccc(F)c1 ZINC001228698430 817978831 /nfs/dbraw/zinc/97/88/31/817978831.db2.gz YKXPQPYYKZLGMV-SNVBAGLBSA-N -1 3 284.294 3.146 20 0 CGADHM C[C@H]1CCC[C@H](Oc2cc3c(cc2[O-])CCC3=O)C1 ZINC001228852580 818022093 /nfs/dbraw/zinc/02/20/93/818022093.db2.gz AEUXFPIRPSOXDB-JQWIXIFHSA-N -1 3 260.333 3.479 20 0 CGADHM CC1(C)CN(Cc2ccc(C(=O)[O-])s2)CCC1(F)F ZINC001231462650 818101848 /nfs/dbraw/zinc/10/18/48/818101848.db2.gz MXUMRVOXOMTSCV-UHFFFAOYSA-N -1 3 289.347 3.314 20 0 CGADHM [O-]c1ccc(CN2CC3CC(C3)C2)cc1C(F)(F)F ZINC001231525336 818120077 /nfs/dbraw/zinc/12/00/77/818120077.db2.gz BLWLSFRFBRRRAC-UHFFFAOYSA-N -1 3 271.282 3.253 20 0 CGADHM C[C@@H]1CCC[C@H](C)N1Cc1ccc(F)c([O-])c1F ZINC001232932096 818476025 /nfs/dbraw/zinc/47/60/25/818476025.db2.gz BQHHWOTWARNULP-AOOOYVTPSA-N -1 3 255.308 3.433 20 0 CGADHM CN(Cc1ccc(F)cc1)Cc1cc([O-])c(F)c(F)c1 ZINC001232968326 818486113 /nfs/dbraw/zinc/48/61/13/818486113.db2.gz HQRXONGCEFXEFM-UHFFFAOYSA-N -1 3 281.277 3.442 20 0 CGADHM CN(Cc1cccs1)Cc1cccc([O-])c1F ZINC001233052836 818512838 /nfs/dbraw/zinc/51/28/38/818512838.db2.gz XTPVOPWKPVBIOE-UHFFFAOYSA-N -1 3 251.326 3.225 20 0 CGADHM Cc1nc([C@@H]2CCCN(Cc3ccc([S-])cc3)C2)no1 ZINC001233259631 818558116 /nfs/dbraw/zinc/55/81/16/818558116.db2.gz ZHRRVMUKOMTLFW-CYBMUJFWSA-N -1 3 289.404 3.046 20 0 CGADHM C[C@@H]1CCC[C@@H](C)N1Cc1c(F)ccc([O-])c1F ZINC001233393260 818608271 /nfs/dbraw/zinc/60/82/71/818608271.db2.gz LOPFMHNSMZVNHQ-NXEZZACHSA-N -1 3 255.308 3.433 20 0 CGADHM [O-]c1ccc(F)c(CN2CC[C@@H]3CCC[C@@H]3C2)c1F ZINC001233393864 818609057 /nfs/dbraw/zinc/60/90/57/818609057.db2.gz PFYKGTCMRBHHSW-WDEREUQCSA-N -1 3 267.319 3.292 20 0 CGADHM Cc1cc([O-])c(Cl)cc1OC1CCC2(CC1)OCCO2 ZINC001233593443 818653598 /nfs/dbraw/zinc/65/35/98/818653598.db2.gz XOELZMKODHVDBG-UHFFFAOYSA-N -1 3 298.766 3.419 20 0 CGADHM Cc1cc([O-])c(Cl)cc1O[C@H]1CCCC2(C1)OCCO2 ZINC001233594260 818654161 /nfs/dbraw/zinc/65/41/61/818654161.db2.gz IBRIDIOLCIUMSQ-NSHDSACASA-N -1 3 298.766 3.419 20 0 CGADHM C[C@H](Oc1cccc([O-])c1F)c1cnc2ccccn21 ZINC001233867165 818721195 /nfs/dbraw/zinc/72/11/95/818721195.db2.gz CTFYPTAPOVGUNC-JTQLQIEISA-N -1 3 272.279 3.319 20 0 CGADHM CO[C@@H](COc1cccc([O-])c1F)c1ccccc1 ZINC001233871459 818721720 /nfs/dbraw/zinc/72/17/20/818721720.db2.gz OMOIGKAAOCUAFX-AWEZNQCLSA-N -1 3 262.280 3.298 20 0 CGADHM CC[C@H](C)CC[C@@H](C)Oc1cccc([O-])c1C(N)=O ZINC001234149364 818792558 /nfs/dbraw/zinc/79/25/58/818792558.db2.gz NUVUAIXZTHHXGS-WDEREUQCSA-N -1 3 265.353 3.085 20 0 CGADHM CC[C@@H](C)C[C@@H](CC)Oc1cccc([O-])c1C(N)=O ZINC001234150816 818793729 /nfs/dbraw/zinc/79/37/29/818793729.db2.gz YJIVXJDCVKPSDS-GHMZBOCLSA-N -1 3 265.353 3.085 20 0 CGADHM CCN1CCC[C@@H](Oc2c(Cl)ccc([O-])c2F)C1 ZINC001234263055 818819504 /nfs/dbraw/zinc/81/95/04/818819504.db2.gz PVPNTZFHJJMFSQ-SECBINFHSA-N -1 3 273.735 3.048 20 0 CGADHM [O-]c1ccc(Cl)c(O[C@@H]2COc3cnccc32)c1F ZINC001234262711 818819612 /nfs/dbraw/zinc/81/96/12/818819612.db2.gz FGQATRGCLHFQPI-LLVKDONJSA-N -1 3 281.670 3.092 20 0 CGADHM Cc1nn(C)cc1[C@H](C)Oc1c([O-])cc(Cl)cc1F ZINC001234444028 818856420 /nfs/dbraw/zinc/85/64/20/818856420.db2.gz KVFSSPWOLCVGSH-QMMMGPOBSA-N -1 3 284.718 3.367 20 0 CGADHM C[C@@H](COc1nc2c(cccc2[O-])[nH]1)Oc1ccccc1 ZINC001234447998 818858227 /nfs/dbraw/zinc/85/82/27/818858227.db2.gz RZTCNYZWDFDXNH-NSHDSACASA-N -1 3 284.315 3.115 20 0 CGADHM S=c1ccc(-c2cc(Cl)nc(Cl)c2)n[n-]1 ZINC001243368946 823374305 /nfs/dbraw/zinc/37/43/05/823374305.db2.gz YLHCDPYLJHJOFM-UHFFFAOYSA-N -1 3 258.133 3.134 20 0 CGADHM [O-]c1cc(Cl)cc(-c2ccc3c(n2)CCOC3)c1 ZINC001235899553 819209795 /nfs/dbraw/zinc/20/97/95/819209795.db2.gz RQGZXJLSSJSMKC-UHFFFAOYSA-N -1 3 261.708 3.180 20 0 CGADHM CNC(=S)Nc1ccc(-c2cc([O-])cc(Cl)c2)nc1 ZINC001235899458 819209873 /nfs/dbraw/zinc/20/98/73/819209873.db2.gz HYOVGIWFHNRBOU-UHFFFAOYSA-N -1 3 293.779 3.024 20 0 CGADHM [O-]c1cc(Cl)cc(-c2cc(N3CCCCC3)ncn2)c1 ZINC001235901297 819210802 /nfs/dbraw/zinc/21/08/02/819210802.db2.gz SLRHEPLCISPFJL-UHFFFAOYSA-N -1 3 289.766 3.493 20 0 CGADHM Cc1nc(C)c(F)c(-c2cc([O-])cc(Cl)c2)n1 ZINC001235900553 819210896 /nfs/dbraw/zinc/21/08/96/819210896.db2.gz PHSVNLCUWGQLGW-UHFFFAOYSA-N -1 3 252.676 3.259 20 0 CGADHM [O-]c1cc(Cl)cc(-c2ncc3cccnc3n2)c1 ZINC001235901266 819210994 /nfs/dbraw/zinc/21/09/94/819210994.db2.gz UOQUNHWLDZPHKZ-UHFFFAOYSA-N -1 3 257.680 3.051 20 0 CGADHM COC(=O)[C@H](C)c1ccc(-c2cc([O-])cc(Cl)c2)nc1 ZINC001235903695 819213573 /nfs/dbraw/zinc/21/35/73/819213573.db2.gz GGYWQNNBGURRPE-SECBINFHSA-N -1 3 291.734 3.384 20 0 CGADHM c1ccc(-c2cccc(C3CC3)c2)c(-c2nnn[n-]2)c1 ZINC001236085447 819306509 /nfs/dbraw/zinc/30/65/09/819306509.db2.gz YSXKSPITQMDTTD-UHFFFAOYSA-N -1 3 262.316 3.411 20 0 CGADHM c1ccc(-c2cccc(C3CC3)c2)c(-c2nn[n-]n2)c1 ZINC001236085447 819306514 /nfs/dbraw/zinc/30/65/14/819306514.db2.gz YSXKSPITQMDTTD-UHFFFAOYSA-N -1 3 262.316 3.411 20 0 CGADHM CC1CCN(Cc2ccc(Br)c([O-])c2)CC1 ZINC001236691942 819573585 /nfs/dbraw/zinc/57/35/85/819573585.db2.gz MKSQPQMFGOFQMT-UHFFFAOYSA-N -1 3 284.197 3.387 20 0 CGADHM Cc1cc([C@@H]2CCCN2Cc2sc(=O)[n-]c2Cl)no1 ZINC001237163252 819686272 /nfs/dbraw/zinc/68/62/72/819686272.db2.gz ZRPNKFGCXVJXDT-VIFPVBQESA-N -1 3 299.783 3.136 20 0 CGADHM [O-]c1cc(F)cc(CN2CCOC[C@H]2C2CCCCC2)c1 ZINC001237285763 819718105 /nfs/dbraw/zinc/71/81/05/819718105.db2.gz AEQDJAJMZKIQJA-KRWDZBQOSA-N -1 3 293.382 3.312 20 0 CGADHM [O-]c1cccc(-c2cc(C(F)(F)F)[nH]c(=S)n2)c1F ZINC001243541400 823435931 /nfs/dbraw/zinc/43/59/31/823435931.db2.gz FMVNSDDXTVOFRV-UHFFFAOYSA-N -1 3 290.241 3.296 20 0 CGADHM [O-]c1cccc(-c2ncccc2-n2cccc2)c1F ZINC001243543761 823436313 /nfs/dbraw/zinc/43/63/13/823436313.db2.gz XXHNSAHIKXHFID-UHFFFAOYSA-N -1 3 254.264 3.384 20 0 CGADHM [O-]c1cccc(-c2ccc3[nH]c(=S)[nH]c3c2)c1F ZINC001243547967 823440456 /nfs/dbraw/zinc/44/04/56/823440456.db2.gz WSNWFGARKUHISE-UHFFFAOYSA-N -1 3 260.293 3.363 20 0 CGADHM CC(C)c1nnc2ccc(-c3cccc([O-])c3F)cn21 ZINC001243545395 823437857 /nfs/dbraw/zinc/43/78/57/823437857.db2.gz IIQVXMXTPNHGHN-UHFFFAOYSA-N -1 3 271.295 3.364 20 0 CGADHM CC1(C)C(=O)Nc2ccc(-c3cccc([O-])c3F)cc21 ZINC001243546764 823438978 /nfs/dbraw/zinc/43/89/78/823438978.db2.gz FKNGPBCSMWKRFP-UHFFFAOYSA-N -1 3 271.291 3.428 20 0 CGADHM COc1c(F)ccc(-c2cccc([O-])c2F)c1F ZINC001243547886 823439384 /nfs/dbraw/zinc/43/93/84/823439384.db2.gz VSRQHBXLVVHZFM-UHFFFAOYSA-N -1 3 254.207 3.485 20 0 CGADHM Cc1cc(C(=O)[O-])ccc1CN1CCCC[C@H](F)C1 ZINC001238142852 819940397 /nfs/dbraw/zinc/94/03/97/819940397.db2.gz UJEAFWGUGWVIJC-AWEZNQCLSA-N -1 3 265.328 3.017 20 0 CGADHM O=C1CC[C@H](c2ccc(-c3cccc([O-])c3F)cc2)N1 ZINC001243549205 823441068 /nfs/dbraw/zinc/44/10/68/823441068.db2.gz QAFKZWUIQKVKBG-CYBMUJFWSA-N -1 3 271.291 3.149 20 0 CGADHM CSc1ccc(-c2ccc(-c3nnn[n-]3)c(F)c2)cc1 ZINC001239497742 820346232 /nfs/dbraw/zinc/34/62/32/820346232.db2.gz ATUGHVRRZIGPGU-UHFFFAOYSA-N -1 3 286.335 3.395 20 0 CGADHM CSc1ccc(-c2ccc(-c3nn[n-]n3)c(F)c2)cc1 ZINC001239497742 820346238 /nfs/dbraw/zinc/34/62/38/820346238.db2.gz ATUGHVRRZIGPGU-UHFFFAOYSA-N -1 3 286.335 3.395 20 0 CGADHM Cc1cc(C)cc(-c2cc(-c3nnn[n-]3)ccc2F)c1 ZINC001239526310 820376109 /nfs/dbraw/zinc/37/61/09/820376109.db2.gz RNONCTWDBWFPFG-UHFFFAOYSA-N -1 3 268.295 3.290 20 0 CGADHM Cc1cc(C)cc(-c2cc(-c3nn[n-]n3)ccc2F)c1 ZINC001239526310 820376112 /nfs/dbraw/zinc/37/61/12/820376112.db2.gz RNONCTWDBWFPFG-UHFFFAOYSA-N -1 3 268.295 3.290 20 0 CGADHM Cn1cc(-c2ccc(F)c(-c3nnn[n-]3)c2)c2ccccc21 ZINC001239537635 820391536 /nfs/dbraw/zinc/39/15/36/820391536.db2.gz BASXCYZGCBSCSC-UHFFFAOYSA-N -1 3 293.305 3.165 20 0 CGADHM Cn1cc(-c2ccc(F)c(-c3nn[n-]n3)c2)c2ccccc21 ZINC001239537635 820391549 /nfs/dbraw/zinc/39/15/49/820391549.db2.gz BASXCYZGCBSCSC-UHFFFAOYSA-N -1 3 293.305 3.165 20 0 CGADHM CCc1ccccc1-c1cc(-c2nnn[n-]2)ccc1F ZINC001239746116 820568037 /nfs/dbraw/zinc/56/80/37/820568037.db2.gz PDDGCZKCCVRRHF-UHFFFAOYSA-N -1 3 268.295 3.235 20 0 CGADHM CCc1ccccc1-c1cc(-c2nn[n-]n2)ccc1F ZINC001239746116 820568041 /nfs/dbraw/zinc/56/80/41/820568041.db2.gz PDDGCZKCCVRRHF-UHFFFAOYSA-N -1 3 268.295 3.235 20 0 CGADHM Cc1ccc(-c2ccc(-c3nnn[n-]3)cc2C)c(C)c1 ZINC001239812942 820628228 /nfs/dbraw/zinc/62/82/28/820628228.db2.gz VJSOSLOCHCSHPE-UHFFFAOYSA-N -1 3 264.332 3.459 20 0 CGADHM Cc1ccc(-c2ccc(-c3nn[n-]n3)cc2C)c(C)c1 ZINC001239812942 820628234 /nfs/dbraw/zinc/62/82/34/820628234.db2.gz VJSOSLOCHCSHPE-UHFFFAOYSA-N -1 3 264.332 3.459 20 0 CGADHM Fc1ccc(-c2ccnc3ccccc32)cc1-c1nnn[n-]1 ZINC001239852818 820658639 /nfs/dbraw/zinc/65/86/39/820658639.db2.gz JAOKDDFZULJQES-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Fc1ccc(-c2ccnc3ccccc32)cc1-c1nn[n-]n1 ZINC001239852818 820658643 /nfs/dbraw/zinc/65/86/43/820658643.db2.gz JAOKDDFZULJQES-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM c1cc2cnccc2c(-c2ccc(Cc3nnn[n-]3)cc2)c1 ZINC001240009959 820777451 /nfs/dbraw/zinc/77/74/51/820777451.db2.gz CMRIGPBAARYUEQ-UHFFFAOYSA-N -1 3 287.326 3.006 20 0 CGADHM c1cc2cnccc2c(-c2ccc(Cc3nn[n-]n3)cc2)c1 ZINC001240009959 820777455 /nfs/dbraw/zinc/77/74/55/820777455.db2.gz CMRIGPBAARYUEQ-UHFFFAOYSA-N -1 3 287.326 3.006 20 0 CGADHM O=C(NC1CCCC1)c1cccc(-c2ccc(=S)[n-]n2)c1 ZINC001240096690 820822977 /nfs/dbraw/zinc/82/29/77/820822977.db2.gz VCUMTGNBWOKBGY-UHFFFAOYSA-N -1 3 299.399 3.105 20 0 CGADHM c1cc2cc(-c3ccc(Cc4nnn[n-]4)cc3)ccc2o1 ZINC001240425922 821047700 /nfs/dbraw/zinc/04/77/00/821047700.db2.gz QPIAAGYKJJFGHY-UHFFFAOYSA-N -1 3 276.299 3.204 20 0 CGADHM c1cc2cc(-c3ccc(Cc4nn[n-]n4)cc3)ccc2o1 ZINC001240425922 821047708 /nfs/dbraw/zinc/04/77/08/821047708.db2.gz QPIAAGYKJJFGHY-UHFFFAOYSA-N -1 3 276.299 3.204 20 0 CGADHM [O-]c1ccc(F)cc1-c1cc(N2CCCC2)ccn1 ZINC001240694223 821249550 /nfs/dbraw/zinc/24/95/50/821249550.db2.gz RBCKDZIRRSTECM-UHFFFAOYSA-N -1 3 258.296 3.194 20 0 CGADHM c1cc2c(cccc2-c2ccccc2-c2nnn[n-]2)[nH]1 ZINC001240710595 821265450 /nfs/dbraw/zinc/26/54/50/821265450.db2.gz IGKMCUDCEXJVSR-UHFFFAOYSA-N -1 3 261.288 3.015 20 0 CGADHM c1cc2c(cccc2-c2ccccc2-c2nn[n-]n2)[nH]1 ZINC001240710595 821265458 /nfs/dbraw/zinc/26/54/58/821265458.db2.gz IGKMCUDCEXJVSR-UHFFFAOYSA-N -1 3 261.288 3.015 20 0 CGADHM CCO[C@@H](C)n1cc(-c2ccc3c(c2)[N-]C(=S)C3)cn1 ZINC001240761152 821309123 /nfs/dbraw/zinc/30/91/23/821309123.db2.gz YFQHKZAFMWQAST-JTQLQIEISA-N -1 3 287.388 3.401 20 0 CGADHM COC(=O)CCc1ccc(-c2ccc([O-])c(F)c2)cc1 ZINC001240785583 821325036 /nfs/dbraw/zinc/32/50/36/821325036.db2.gz HAYFDAKNTDSOSV-UHFFFAOYSA-N -1 3 274.291 3.304 20 0 CGADHM CC(=O)O[C@@H]1Cc2ccc(-c3ccc([O-])c(F)c3)cc2C1 ZINC001240785943 821325756 /nfs/dbraw/zinc/32/57/56/821325756.db2.gz VYQXNIJJBSZVHD-OAHLLOKOSA-N -1 3 286.302 3.229 20 0 CGADHM CCOC(=O)CCc1cccnc1-c1ccc([O-])c(F)c1 ZINC001240786413 821326865 /nfs/dbraw/zinc/32/68/65/821326865.db2.gz RHKQXBZFGODUQQ-UHFFFAOYSA-N -1 3 289.306 3.089 20 0 CGADHM COCc1ccc(-c2ccc([O-])c(F)c2)c(F)c1 ZINC001240787627 821329067 /nfs/dbraw/zinc/32/90/67/821329067.db2.gz MAJPQHHCCNYHTJ-UHFFFAOYSA-N -1 3 250.244 3.484 20 0 CGADHM COc1cc(SC)c(-c2ccc([O-])c(F)c2)cn1 ZINC001240789721 821332843 /nfs/dbraw/zinc/33/28/43/821332843.db2.gz BJWPTLVVNMBCQB-UHFFFAOYSA-N -1 3 265.309 3.324 20 0 CGADHM COC(=O)c1ccc2nc(-c3ccccc3[O-])ccc2c1 ZINC001241003162 821482463 /nfs/dbraw/zinc/48/24/63/821482463.db2.gz IXRWEBMICLNXBS-UHFFFAOYSA-N -1 3 279.295 3.394 20 0 CGADHM CC(C)(C)OC(=O)c1cccc(-c2ccccc2[O-])n1 ZINC001241008359 821485539 /nfs/dbraw/zinc/48/55/39/821485539.db2.gz PCEAAQJSQLUVGA-UHFFFAOYSA-N -1 3 271.316 3.410 20 0 CGADHM Cc1ccc(-c2nncc3ccc(F)cc32)c([O-])c1 ZINC001241030819 821506209 /nfs/dbraw/zinc/50/62/09/821506209.db2.gz VCJHEOOGSUOVBP-UHFFFAOYSA-N -1 3 254.264 3.450 20 0 CGADHM Cc1ccc(-c2cnc(C(=O)OC(C)(C)C)cn2)c([O-])c1 ZINC001241035986 821511705 /nfs/dbraw/zinc/51/17/05/821511705.db2.gz MIQHMJBVCVUWLD-UHFFFAOYSA-N -1 3 286.331 3.113 20 0 CGADHM CCOc1cc(-c2cc([O-])cc(F)c2)nc(SC)n1 ZINC001241256083 821676087 /nfs/dbraw/zinc/67/60/87/821676087.db2.gz MPBUBXGFZCLNKC-UHFFFAOYSA-N -1 3 280.324 3.109 20 0 CGADHM Cc1ccc2c(c1)ncnc2-c1cc([O-])cc(F)c1 ZINC001241255876 821676256 /nfs/dbraw/zinc/67/62/56/821676256.db2.gz GCGMLEOLSTVLJY-UHFFFAOYSA-N -1 3 254.264 3.450 20 0 CGADHM [O-]c1cc(F)cc(-c2nc(C3CC3)nc3[nH]ccc32)c1 ZINC001241260965 821680107 /nfs/dbraw/zinc/68/01/07/821680107.db2.gz DLLNGJQSUPRECM-UHFFFAOYSA-N -1 3 269.279 3.299 20 0 CGADHM CC(=O)c1ccc(-c2ccc(-c3nnn[n-]3)cc2C)cc1F ZINC001241261015 821680466 /nfs/dbraw/zinc/68/04/66/821680466.db2.gz OOSXTRQRZISHBS-UHFFFAOYSA-N -1 3 296.305 3.184 20 0 CGADHM CC(=O)c1ccc(-c2ccc(-c3nn[n-]n3)cc2C)cc1F ZINC001241261015 821680468 /nfs/dbraw/zinc/68/04/68/821680468.db2.gz OOSXTRQRZISHBS-UHFFFAOYSA-N -1 3 296.305 3.184 20 0 CGADHM [O-]c1cc(F)cc(-c2cc(-c3ccncc3)ncn2)c1 ZINC001241262137 821681625 /nfs/dbraw/zinc/68/16/25/821681625.db2.gz WZNKXTVCTWVYFW-UHFFFAOYSA-N -1 3 267.263 3.050 20 0 CGADHM Nc1cc(C(F)(F)F)cnc1-c1cc([O-])cc(F)c1 ZINC001241262397 821682487 /nfs/dbraw/zinc/68/24/87/821682487.db2.gz KREXMWLHBKRKDP-UHFFFAOYSA-N -1 3 272.201 3.194 20 0 CGADHM CSc1ncc2c(ccnc2-c2cc([O-])cc(F)c2)n1 ZINC001241262980 821682589 /nfs/dbraw/zinc/68/25/89/821682589.db2.gz UQAHZJABOVWUNY-UHFFFAOYSA-N -1 3 287.319 3.258 20 0 CGADHM O=C1CCc2cc(-c3cc([O-])cc(F)c3)ccc2N1 ZINC001241266068 821685624 /nfs/dbraw/zinc/68/56/24/821685624.db2.gz CLSWKSPIAOKHSZ-UHFFFAOYSA-N -1 3 257.264 3.083 20 0 CGADHM COc1cc(-c2cc([O-])cc(F)c2)ccc1NC(C)=O ZINC001241271034 821690112 /nfs/dbraw/zinc/69/01/12/821690112.db2.gz ICCQMQBOFMAMCH-UHFFFAOYSA-N -1 3 275.279 3.165 20 0 CGADHM CCOC(=O)c1ncc(-c2cc([O-])cc(F)c2)cc1C ZINC001241278180 821696469 /nfs/dbraw/zinc/69/64/69/821696469.db2.gz VYNXYIYKDMNMDA-UHFFFAOYSA-N -1 3 275.279 3.078 20 0 CGADHM [O-]c1cc(F)cc(-c2cc(F)cc3nccnc32)c1 ZINC001241278172 821696533 /nfs/dbraw/zinc/69/65/33/821696533.db2.gz VSLYJLIIJAKXOU-UHFFFAOYSA-N -1 3 258.227 3.281 20 0 CGADHM COc1cc(SC)c(-c2cc([O-])cc(F)c2)cn1 ZINC001241280863 821699481 /nfs/dbraw/zinc/69/94/81/821699481.db2.gz WAEVDHNQZLIFJV-UHFFFAOYSA-N -1 3 265.309 3.324 20 0 CGADHM [O-]c1ccc(F)c(-c2cnc(C(F)(F)F)nc2)c1F ZINC001241292926 821710622 /nfs/dbraw/zinc/71/06/22/821710622.db2.gz NVNKDDNLOGTKNR-UHFFFAOYSA-N -1 3 276.164 3.146 20 0 CGADHM COc1nccc(-c2c(F)ccc([O-])c2F)c1C ZINC001241293323 821711143 /nfs/dbraw/zinc/71/11/43/821711143.db2.gz SMYFBTCPAQNXFG-UHFFFAOYSA-N -1 3 251.232 3.049 20 0 CGADHM Nc1cnc2c(cccc2-c2c(F)ccc([O-])c2F)c1 ZINC001241293083 821711266 /nfs/dbraw/zinc/71/12/66/821711266.db2.gz ARSZIHDNTTWPJG-UHFFFAOYSA-N -1 3 272.254 3.468 20 0 CGADHM Nc1cnc2cc(-c3c(F)ccc([O-])c3F)ccc2c1 ZINC001241293946 821712132 /nfs/dbraw/zinc/71/21/32/821712132.db2.gz SGNRTBVSBYVEII-UHFFFAOYSA-N -1 3 272.254 3.468 20 0 CGADHM Cc1cc2cc(-c3ccc(-c4nnn[n-]4)cc3)ccc2[nH]1 ZINC001241444360 821838504 /nfs/dbraw/zinc/83/85/04/821838504.db2.gz AELNMQMQUZIQIQ-UHFFFAOYSA-N -1 3 275.315 3.323 20 0 CGADHM Cc1cc2cc(-c3ccc(-c4nn[n-]n4)cc3)ccc2[nH]1 ZINC001241444360 821838512 /nfs/dbraw/zinc/83/85/12/821838512.db2.gz AELNMQMQUZIQIQ-UHFFFAOYSA-N -1 3 275.315 3.323 20 0 CGADHM Cc1ccc2cncc(-c3ccc(-c4nnn[n-]4)cc3)c2c1 ZINC001241444312 821838937 /nfs/dbraw/zinc/83/89/37/821838937.db2.gz SAIMZYDDZZIBJN-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM Cc1ccc2cncc(-c3ccc(-c4nn[n-]n4)cc3)c2c1 ZINC001241444312 821838944 /nfs/dbraw/zinc/83/89/44/821838944.db2.gz SAIMZYDDZZIBJN-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM c1ccc(-c2ccc(-c3nnn[n-]3)cc2)c(OC2CCC2)c1 ZINC001241445921 821839829 /nfs/dbraw/zinc/83/98/29/821839829.db2.gz WCLUHZOQBMYUHJ-UHFFFAOYSA-N -1 3 292.342 3.465 20 0 CGADHM c1ccc(-c2ccc(-c3nn[n-]n3)cc2)c(OC2CCC2)c1 ZINC001241445921 821839836 /nfs/dbraw/zinc/83/98/36/821839836.db2.gz WCLUHZOQBMYUHJ-UHFFFAOYSA-N -1 3 292.342 3.465 20 0 CGADHM COc1cc2cc[nH]c2cc1-c1ccc(-c2nnn[n-]2)cc1 ZINC001241445607 821839918 /nfs/dbraw/zinc/83/99/18/821839918.db2.gz QPOYESPBKYTLLM-UHFFFAOYSA-N -1 3 291.314 3.024 20 0 CGADHM COc1cc2cc[nH]c2cc1-c1ccc(-c2nn[n-]n2)cc1 ZINC001241445607 821839924 /nfs/dbraw/zinc/83/99/24/821839924.db2.gz QPOYESPBKYTLLM-UHFFFAOYSA-N -1 3 291.314 3.024 20 0 CGADHM Cc1c(-c2ccc(-c3nnn[n-]3)cc2)cncc1C1CC1 ZINC001241445771 821840069 /nfs/dbraw/zinc/84/00/69/821840069.db2.gz ARHVMHBSCNDAEQ-UHFFFAOYSA-N -1 3 277.331 3.115 20 0 CGADHM Cc1c(-c2ccc(-c3nn[n-]n3)cc2)cncc1C1CC1 ZINC001241445771 821840073 /nfs/dbraw/zinc/84/00/73/821840073.db2.gz ARHVMHBSCNDAEQ-UHFFFAOYSA-N -1 3 277.331 3.115 20 0 CGADHM c1snc2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc12 ZINC001241445956 821840190 /nfs/dbraw/zinc/84/01/90/821840190.db2.gz YDBMCBYYNFCCJU-UHFFFAOYSA-N -1 3 279.328 3.143 20 0 CGADHM c1snc2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc12 ZINC001241445956 821840198 /nfs/dbraw/zinc/84/01/98/821840198.db2.gz YDBMCBYYNFCCJU-UHFFFAOYSA-N -1 3 279.328 3.143 20 0 CGADHM c1snc2cc(-c3ccc(-c4nnn[n-]4)cc3)ccc12 ZINC001241445046 821840459 /nfs/dbraw/zinc/84/04/59/821840459.db2.gz JLUFXRJJGNTDPE-UHFFFAOYSA-N -1 3 279.328 3.143 20 0 CGADHM c1snc2cc(-c3ccc(-c4nn[n-]n4)cc3)ccc12 ZINC001241445046 821840461 /nfs/dbraw/zinc/84/04/61/821840461.db2.gz JLUFXRJJGNTDPE-UHFFFAOYSA-N -1 3 279.328 3.143 20 0 CGADHM CC(C)(C)Oc1ccnc(-c2ccc(-c3nnn[n-]3)cc2)c1 ZINC001241446615 821842617 /nfs/dbraw/zinc/84/26/17/821842617.db2.gz JRCNMCOSGCEQHA-UHFFFAOYSA-N -1 3 295.346 3.106 20 0 CGADHM CC(C)(C)Oc1ccnc(-c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001241446615 821842627 /nfs/dbraw/zinc/84/26/27/821842627.db2.gz JRCNMCOSGCEQHA-UHFFFAOYSA-N -1 3 295.346 3.106 20 0 CGADHM Cc1ccc2n[nH]cc2c1-c1ccc(-c2nn[n-]n2)cc1C ZINC001241523721 821923979 /nfs/dbraw/zinc/92/39/79/821923979.db2.gz JHWZJZOYMXMZLP-UHFFFAOYSA-N -1 3 290.330 3.027 20 0 CGADHM Cc1cc(-c2nnn[n-]2)ccc1-c1ccc2c(c1)CCCN2 ZINC001241838384 822174286 /nfs/dbraw/zinc/17/42/86/822174286.db2.gz GFUSFQUPSQXPIB-UHFFFAOYSA-N -1 3 291.358 3.200 20 0 CGADHM Cc1cc(-c2nn[n-]n2)ccc1-c1ccc2c(c1)CCCN2 ZINC001241838384 822174290 /nfs/dbraw/zinc/17/42/90/822174290.db2.gz GFUSFQUPSQXPIB-UHFFFAOYSA-N -1 3 291.358 3.200 20 0 CGADHM Fc1cc(-c2cccc(Cl)c2)ccc1-c1nnn[n-]1 ZINC001242145945 822893631 /nfs/dbraw/zinc/89/36/31/822893631.db2.gz DPMIZJPBGPHCTG-UHFFFAOYSA-N -1 3 274.686 3.326 20 0 CGADHM Fc1cc(-c2cccc(Cl)c2)ccc1-c1nn[n-]n1 ZINC001242145945 822893633 /nfs/dbraw/zinc/89/36/33/822893633.db2.gz DPMIZJPBGPHCTG-UHFFFAOYSA-N -1 3 274.686 3.326 20 0 CGADHM Cc1cc2c(cc1-c1ccc(F)cc1[O-])CC(=O)N2 ZINC001242219007 822915441 /nfs/dbraw/zinc/91/54/41/822915441.db2.gz GYQDMSMYEOVATC-UHFFFAOYSA-N -1 3 257.264 3.001 20 0 CGADHM Cn1c(=O)ccc2cc(-c3ccc(F)cc3[O-])ccc21 ZINC001242221166 822916853 /nfs/dbraw/zinc/91/68/53/822916853.db2.gz RDVAQYFWJPNGDI-UHFFFAOYSA-N -1 3 269.275 3.050 20 0 CGADHM CC1(C)Cc2cccc(-c3ccc(F)cc3[O-])c2C(=O)N1 ZINC001242221683 822917351 /nfs/dbraw/zinc/91/73/51/822917351.db2.gz ORIYNHIWHOEXNV-UHFFFAOYSA-N -1 3 285.318 3.263 20 0 CGADHM [O-]c1cc(F)ccc1-c1cccc(N2CCOCC2)c1 ZINC001242221657 822917386 /nfs/dbraw/zinc/91/73/86/822917386.db2.gz VWQIJZXPZOQSEN-UHFFFAOYSA-N -1 3 273.307 3.035 20 0 CGADHM FC1(F)CC=C(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC001242235149 822920426 /nfs/dbraw/zinc/92/04/26/822920426.db2.gz QTGCNRGGAWMNRA-UHFFFAOYSA-N -1 3 262.263 3.069 20 0 CGADHM FC1(F)CC=C(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001242235149 822920431 /nfs/dbraw/zinc/92/04/31/822920431.db2.gz QTGCNRGGAWMNRA-UHFFFAOYSA-N -1 3 262.263 3.069 20 0 CGADHM Fc1cc(F)c(-c2ccc(=S)[n-]n2)cc1Cl ZINC001242290193 822940349 /nfs/dbraw/zinc/94/03/49/822940349.db2.gz OYXMRNKMDKAYIU-UHFFFAOYSA-N -1 3 258.680 3.364 20 0 CGADHM COC(=O)c1cc(-c2cccc(F)c2[O-])cc2[nH]ccc21 ZINC001242351877 822962148 /nfs/dbraw/zinc/96/21/48/822962148.db2.gz ZGGNELIWXRRFOF-UHFFFAOYSA-N -1 3 285.274 3.466 20 0 CGADHM CC1(C)NC(=O)Cc2ccc(-c3cccc(F)c3[O-])cc21 ZINC001242353205 822962530 /nfs/dbraw/zinc/96/25/30/822962530.db2.gz WRIKYTZJGJQGKL-UHFFFAOYSA-N -1 3 285.318 3.106 20 0 CGADHM FC(F)(F)n1cc(-c2ccc3c(c2)[N-]C(=S)C3)cn1 ZINC001242466349 823001560 /nfs/dbraw/zinc/00/15/60/823001560.db2.gz YOTJMNZPDDKHOC-UHFFFAOYSA-N -1 3 283.278 3.322 20 0 CGADHM CCCCCc1nnc(NC(=O)[N-]OC(C)(C)C)s1 ZINC001344676976 936541398 /nfs/dbraw/zinc/54/13/98/936541398.db2.gz QTHZZHFTNNZNOH-UHFFFAOYSA-N -1 3 286.401 3.122 20 0 CGADHM O=C([N-]c1c(F)cccc1F)c1ncnc2sccc21 ZINC001350583957 936995165 /nfs/dbraw/zinc/99/51/65/936995165.db2.gz RBLGIBDRKKGTSL-UHFFFAOYSA-N -1 3 291.282 3.222 20 0 CGADHM C[C@@H](Oc1cccc([O-])c1Br)c1cnccn1 ZINC001229144043 927323311 /nfs/dbraw/zinc/32/33/11/927323311.db2.gz ZWTQOEZMUSFNEA-MRVPVSSYSA-N -1 3 295.136 3.085 20 0 CGADHM Cc1ccc([C@H](C)Oc2nc(C)[n-]c(=O)c2C)cc1 ZINC001229684805 927356463 /nfs/dbraw/zinc/35/64/63/927356463.db2.gz HBBZPBRRUFDAST-NSHDSACASA-N -1 3 258.321 3.247 20 0 CGADHM CC[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(C)(C)C ZINC001231073524 928078513 /nfs/dbraw/zinc/07/85/13/928078513.db2.gz LMTPETMGTZEBLZ-LBPRGKRZSA-N -1 3 260.341 3.070 20 0 CGADHM CC(C)(C)O[N-]C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000034543348 928808225 /nfs/dbraw/zinc/80/82/25/928808225.db2.gz WRLIUHHRJUIBIF-UHFFFAOYSA-N -1 3 251.370 3.049 20 0 CGADHM Cc1cc(F)ncc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC001446524407 937363626 /nfs/dbraw/zinc/36/36/26/937363626.db2.gz HMEMJTZLBWQEIE-UHFFFAOYSA-N -1 3 280.686 3.140 20 0 CGADHM Cc1ccc([C@@H]2C[C@H]2C(=O)Nc2ncccc2[O-])cc1C ZINC001447608650 937369816 /nfs/dbraw/zinc/36/98/16/937369816.db2.gz XDLFJLQPADTYMU-UONOGXRCSA-N -1 3 282.343 3.146 20 0 CGADHM COc1ccc(C(=O)NC[C@@H]2CCC[C@@H](C)[C@H]2C)c([O-])c1 ZINC001448660569 937375882 /nfs/dbraw/zinc/37/58/82/937375882.db2.gz IYQBWRRUDBYYGG-UPJWGTAASA-N -1 3 291.391 3.203 20 0 CGADHM Cc1ccc(CC(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)cc1C ZINC001450053327 937382402 /nfs/dbraw/zinc/38/24/02/937382402.db2.gz BBRMADYMTQQPSC-UHFFFAOYSA-N -1 3 295.342 3.067 20 0 CGADHM CCc1cccc(C(=O)N2C[C@H]3[C@H]4CC[C@H](C4)[C@@]3(C)C2)c1[O-] ZINC001456507531 937431778 /nfs/dbraw/zinc/43/17/78/937431778.db2.gz PDGYPTYNKTYVCW-QMYADUOMSA-N -1 3 299.414 3.463 20 0 CGADHM CCO[C@H](C)COc1nc(=S)[n-]c2scc(C)c21 ZINC001229351921 932138226 /nfs/dbraw/zinc/13/82/26/932138226.db2.gz DQSIGZSUDDBMQC-MRVPVSSYSA-N -1 3 284.406 3.092 20 0 CGADHM Cc1ccc(C(=O)c2ccc([O-])c(OC[C@@H]3CCO3)c2)cc1 ZINC001229542462 932169177 /nfs/dbraw/zinc/16/91/77/932169177.db2.gz MSQYSHNPSZBQBR-HNNXBMFYSA-N -1 3 298.338 3.099 20 0 CGADHM CC1=C(Oc2cc(Cl)c(Cl)cc2[O-])C(=O)O[C@@H]1C ZINC001229552123 932169955 /nfs/dbraw/zinc/16/99/55/932169955.db2.gz DYXWFHPAQHEDNA-ZCFIWIBFSA-N -1 3 289.114 3.297 20 0 CGADHM CC[C@@H](Oc1nc(C)[n-]c(=O)c1C)c1ccccc1 ZINC001229686003 932469681 /nfs/dbraw/zinc/46/96/81/932469681.db2.gz QFCWIGRSQWMNKU-CYBMUJFWSA-N -1 3 258.321 3.329 20 0 CGADHM Cc1cccc2c1CC[C@@H]2Oc1ccccc1-c1nnn[n-]1 ZINC001229956962 932510109 /nfs/dbraw/zinc/51/01/09/932510109.db2.gz GXZKOHJSQZLOSY-INIZCTEOSA-N -1 3 292.342 3.241 20 0 CGADHM Cc1cccc2c1CC[C@@H]2Oc1ccccc1-c1nn[n-]n1 ZINC001229956962 932510115 /nfs/dbraw/zinc/51/01/15/932510115.db2.gz GXZKOHJSQZLOSY-INIZCTEOSA-N -1 3 292.342 3.241 20 0 CGADHM CC[C@@H](Oc1nc(=O)[n-]c2c1SCC2)C(C)(C)C ZINC001230792239 932624607 /nfs/dbraw/zinc/62/46/07/932624607.db2.gz MVHJGOSACQNGHJ-SECBINFHSA-N -1 3 268.382 3.034 20 0 CGADHM O=c1nc2cccc(Cl)c2c(OC[C@H]2CCC=CO2)[n-]1 ZINC001230883761 932634910 /nfs/dbraw/zinc/63/49/10/932634910.db2.gz BFMHAXSUJRIBEX-SECBINFHSA-N -1 3 292.722 3.060 20 0 CGADHM C[C@@H](CCc1ccccc1)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001231072370 932671284 /nfs/dbraw/zinc/67/12/84/932671284.db2.gz BWSUIHKKUAGZHZ-ZDUSSCGKSA-N -1 3 294.358 3.267 20 0 CGADHM CCCC[C@@H](CC)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001231072306 932671497 /nfs/dbraw/zinc/67/14/97/932671497.db2.gz BJXJEEKPKBDYAO-GFCCVEGCSA-N -1 3 260.341 3.214 20 0 CGADHM CC(C)=CCC[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001231074544 932673001 /nfs/dbraw/zinc/67/30/01/932673001.db2.gz VERDTNKERRGPCZ-LBPRGKRZSA-N -1 3 272.352 3.380 20 0 CGADHM CC(C)CCC[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001231074880 932673233 /nfs/dbraw/zinc/67/32/33/932673233.db2.gz ZRCAOQYXCYGTSK-LBPRGKRZSA-N -1 3 274.368 3.460 20 0 CGADHM C[C@@H](Oc1[n-]c(=O)nc2cccc(F)c21)c1ccncc1 ZINC001231077516 932673311 /nfs/dbraw/zinc/67/33/11/932673311.db2.gz WLOBCXMPXUYVOS-SECBINFHSA-N -1 3 285.278 3.010 20 0 CGADHM COc1ccc(Cl)cc1Nc1ncc(F)cc1[O-] ZINC001250204606 932718681 /nfs/dbraw/zinc/71/86/81/932718681.db2.gz LDUHLLBPGNUNQE-UHFFFAOYSA-N -1 3 268.675 3.332 20 0 CGADHM Cc1ccc(C(=O)Nc2ccc3c(c2)C[C@H](C)O3)c([O-])c1 ZINC001304220075 932847594 /nfs/dbraw/zinc/84/75/94/932847594.db2.gz HVUHZOFOJIDUFS-NSHDSACASA-N -1 3 283.327 3.276 20 0 CGADHM C[C@H](c1ccccc1)N1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001308051095 933041308 /nfs/dbraw/zinc/04/13/08/933041308.db2.gz IXTPOEVSVFRDSX-LLVKDONJSA-N -1 3 281.359 3.136 20 0 CGADHM CC[C@@H](Cc1ccccc1)NC(=O)c1c(C)cccc1[O-] ZINC001464760664 937695183 /nfs/dbraw/zinc/69/51/83/937695183.db2.gz PGAHWFUFYBFGLA-HNNXBMFYSA-N -1 3 283.371 3.452 20 0 CGADHM COc1cccc([O-])c1C(=O)N[C@@H](C)C1CCCCCC1 ZINC001466757270 937712131 /nfs/dbraw/zinc/71/21/31/937712131.db2.gz JJAPICFNODUELI-LBPRGKRZSA-N -1 3 291.391 3.490 20 0 CGADHM CCCC1CCN(C(=O)c2c[n-]c3ccccc3c2=O)CC1 ZINC001318943573 933799550 /nfs/dbraw/zinc/79/95/50/933799550.db2.gz ZTJXWXNSEUNHCS-UHFFFAOYSA-N -1 3 298.386 3.180 20 0 CGADHM O=C(CCCc1ccc2c(c1)CCCC2)[N-]OC1CCC1 ZINC001468166921 937725102 /nfs/dbraw/zinc/72/51/02/937725102.db2.gz OILUKFLCERPEDJ-UHFFFAOYSA-N -1 3 287.403 3.488 20 0 CGADHM O=C(CC(C1CC1)C1CC1)[N-]OC1CCCCC1 ZINC001320493545 934055565 /nfs/dbraw/zinc/05/55/65/934055565.db2.gz PZDXHAZISKSLQY-UHFFFAOYSA-N -1 3 251.370 3.193 20 0 CGADHM C[C@@H](CCCC(=O)[O-])NCc1nc2c(s1)C[C@H](C)CC2 ZINC001320732889 934095694 /nfs/dbraw/zinc/09/56/94/934095694.db2.gz KDJJWNBHDIUWIC-MNOVXSKESA-N -1 3 296.436 3.001 20 0 CGADHM O=C(NOc1ccccc1F)c1cc([O-])c2ccccc2c1 ZINC001471718124 937768682 /nfs/dbraw/zinc/76/86/82/937768682.db2.gz GCEKQSUWIKTEHX-UHFFFAOYSA-N -1 3 297.285 3.408 20 0 CGADHM CCc1cnc(NC(=O)c2cc3c(cc2[O-])CCCC3)o1 ZINC001472151743 937773422 /nfs/dbraw/zinc/77/34/22/937773422.db2.gz FAUISZOATVZCIT-UHFFFAOYSA-N -1 3 286.331 3.074 20 0 CGADHM O=C(Nc1c([O-])cccc1Cl)c1ccc2[nH]cnc2c1 ZINC001472569473 937777666 /nfs/dbraw/zinc/77/76/66/937777666.db2.gz ALOARJAXEYAHEU-UHFFFAOYSA-N -1 3 287.706 3.174 20 0 CGADHM Cc1cc(C(=O)[N-]c2c(C)onc2OC(F)F)oc1C ZINC001324971572 934877412 /nfs/dbraw/zinc/87/74/12/934877412.db2.gz SEXDCCAGTUZQTJ-UHFFFAOYSA-N -1 3 286.234 3.047 20 0 CGADHM O=C([O-])[C@@H](CCF)NCc1ccc(F)c(Cl)c1Cl ZINC001326717396 935001694 /nfs/dbraw/zinc/00/16/94/935001694.db2.gz PUHGKBCPUIEYDS-MRVPVSSYSA-N -1 3 298.116 3.035 20 0 CGADHM CC(C)(C)O[N-]C(=O)CCc1ccc(Cl)c(F)c1 ZINC001329181639 935194125 /nfs/dbraw/zinc/19/41/25/935194125.db2.gz BIHUQPSMQWXWAT-UHFFFAOYSA-N -1 3 273.735 3.258 20 0 CGADHM Cc1cnc2ccccc2c1N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC001329237885 935198082 /nfs/dbraw/zinc/19/80/82/935198082.db2.gz XEWYDNYXPDOIHG-OLZOCXBDSA-N -1 3 284.359 3.090 20 0 CGADHM CCc1cccc(N(C)C(=O)c2[n-]cnc2C(F)(F)F)c1 ZINC001329326301 935205631 /nfs/dbraw/zinc/20/56/31/935205631.db2.gz STHHNYNLELIKAZ-UHFFFAOYSA-N -1 3 297.280 3.268 20 0 CGADHM CCc1cccc(N(C)C(=O)c2nc[n-]c2C(F)(F)F)c1 ZINC001329326301 935205634 /nfs/dbraw/zinc/20/56/34/935205634.db2.gz STHHNYNLELIKAZ-UHFFFAOYSA-N -1 3 297.280 3.268 20 0 CGADHM CC(C)(C)OC1CCC(NC(=O)c2ccccc2[O-])CC1 ZINC001332190390 935447058 /nfs/dbraw/zinc/44/70/58/935447058.db2.gz ZMJPOIQURLEQPQ-UHFFFAOYSA-N -1 3 291.391 3.248 20 0 CGADHM COc1cc(C)ccc1CN[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001334778213 936113968 /nfs/dbraw/zinc/11/39/68/936113968.db2.gz XWLWBTHLLODHJT-GOSISDBHSA-N -1 3 299.370 3.093 20 0 CGADHM CCCn1ncc(C(=O)Nc2c([O-])cccc2Cl)c1C ZINC001337240027 936245246 /nfs/dbraw/zinc/24/52/46/936245246.db2.gz PITOGFAUBFQAAK-UHFFFAOYSA-N -1 3 293.754 3.213 20 0 CGADHM C[C@H](c1ccc(F)cc1)N1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001473766294 937821115 /nfs/dbraw/zinc/82/11/15/937821115.db2.gz PWXSSDCXQFNXJI-SNVBAGLBSA-N -1 3 299.349 3.276 20 0 CGADHM CCc1ccc(C(=O)Nc2ccc(F)c(F)c2)c([O-])c1 ZINC001540331900 938130239 /nfs/dbraw/zinc/13/02/39/938130239.db2.gz VHZHSEVFKGBDFM-UHFFFAOYSA-N -1 3 277.270 3.485 20 0 CGADHM Cc1cc(NC(=O)c2cc3sccc3c([O-])c2)no1 ZINC001540554429 938132032 /nfs/dbraw/zinc/13/20/32/938132032.db2.gz BYTDTIMFDGQMSP-UHFFFAOYSA-N -1 3 274.301 3.156 20 0 CGADHM CC(C)(C)C[C@H](NC(=O)c1cc(=O)[n-]cn1)c1ccccc1 ZINC001541069424 938134627 /nfs/dbraw/zinc/13/46/27/938134627.db2.gz TXCYNOUNLCSRJR-AWEZNQCLSA-N -1 3 299.374 3.090 20 0 CGADHM Cc1ccc(C(=O)N2C[C@@H](C3CC3)C[C@H]2C2CC2)c([O-])c1 ZINC001551064663 938175871 /nfs/dbraw/zinc/17/58/71/938175871.db2.gz XUSLXOCEYNAIDE-HOCLYGCPSA-N -1 3 285.387 3.351 20 0 CGADHM O=C(Cc1ccc(C2CCC2)cc1)Nc1ncccc1[O-] ZINC001556164521 938202218 /nfs/dbraw/zinc/20/22/18/938202218.db2.gz HEVCPPHWUWCDFG-UHFFFAOYSA-N -1 3 282.343 3.236 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CC[C@H](CC)[C@H]2C)c1 ZINC001556272473 938202900 /nfs/dbraw/zinc/20/29/00/938202900.db2.gz BKOROFGKCQEDSE-YPMHNXCESA-N -1 3 261.365 3.215 20 0 CGADHM CCC(C)(C)C1CCC(CC(=O)[N-]OCC(C)(C)O)CC1 ZINC001556471637 938204014 /nfs/dbraw/zinc/20/40/14/938204014.db2.gz LZKAJUSIKVTNLU-UHFFFAOYSA-N -1 3 299.455 3.438 20 0 CGADHM CCc1ccc(C(=O)N[C@@H]2C[C@@]2(C)C(C)C)c([O-])c1 ZINC001556942920 938206606 /nfs/dbraw/zinc/20/66/06/938206606.db2.gz LAXNGTPRNKWDGG-ZBFHGGJFSA-N -1 3 261.365 3.119 20 0 CGADHM CSc1ccc([O-])c(C(=O)NC[C@@H]2CCC[C@H]3C[C@H]32)c1 ZINC001557517615 938210585 /nfs/dbraw/zinc/21/05/85/938210585.db2.gz DZHCSAVZBPZAIX-GMXVVIOVSA-N -1 3 291.416 3.280 20 0 CGADHM CCC(C)(C)C1CCC(N=c2ncnc3[nH][n-]cc2-3)CC1 ZINC001559063713 938219689 /nfs/dbraw/zinc/21/96/89/938219689.db2.gz HTRQSSOIIMEQRN-UHFFFAOYSA-N -1 3 287.411 3.133 20 0 CGADHM CC[C@@H](C)CON=c1cc(O[C@@H](C)CC)[n-]c(C)n1 ZINC001559199623 938222169 /nfs/dbraw/zinc/22/21/69/938222169.db2.gz GMGRDLRXQFCQAV-MNOVXSKESA-N -1 3 267.373 3.352 20 0 CGADHM C[C@@H]1CCCN(Cc2cccc(F)c2Cl)[C@H]1C(=O)[O-] ZINC000300269128 950539142 /nfs/dbraw/zinc/53/91/42/950539142.db2.gz BVECWBJJYHDRKP-NOZJJQNGSA-N -1 3 285.746 3.164 20 0 CGADHM Cc1cc(CN(C)Cc2ccc(C(=O)[O-])cc2)cs1 ZINC000381781931 971777607 /nfs/dbraw/zinc/77/76/07/971777607.db2.gz YIVOYRZUCIZRQV-UHFFFAOYSA-N -1 3 275.373 3.387 20 0 CGADHM CCC1CCN(Cc2ccc(C(=O)[O-])cc2F)CC1 ZINC000062755954 957609836 /nfs/dbraw/zinc/60/98/36/957609836.db2.gz BJFJWCBNACOYPV-UHFFFAOYSA-N -1 3 265.328 3.146 20 0 CGADHM O=C([O-])c1ccc(CNc2nc3ccc(F)cc3[nH]2)cc1 ZINC000212636618 959715507 /nfs/dbraw/zinc/71/55/07/959715507.db2.gz HUGXUOGODNNLEQ-UHFFFAOYSA-N -1 3 285.278 3.012 20 0 CGADHM CC[C@H](C)[C@@H](C)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000227031136 959913282 /nfs/dbraw/zinc/91/32/82/959913282.db2.gz BQORUZFUSTZARP-ZOWXZIJZSA-N -1 3 261.365 3.105 20 0 CGADHM CSCC[C@H](C)N(C)Cc1cc(C(=O)[O-])ccc1F ZINC000231028530 960181847 /nfs/dbraw/zinc/18/18/47/960181847.db2.gz SHYZYFSOLVHPJE-JTQLQIEISA-N -1 3 285.384 3.097 20 0 CGADHM Cc1cc(CN2CCSC(C)(C)CC2)oc1C(=O)[O-] ZINC000231054182 960184731 /nfs/dbraw/zinc/18/47/31/960184731.db2.gz CQWNFMMPVXAUEC-UHFFFAOYSA-N -1 3 283.393 3.004 20 0 CGADHM CCc1ccc(C(=O)NC[C@@H](C)Oc2ccccc2)c([O-])c1 ZINC001565774256 960822959 /nfs/dbraw/zinc/82/29/59/960822959.db2.gz KPXLWCCGMUIQOH-CYBMUJFWSA-N -1 3 299.370 3.152 20 0 CGADHM C/C(=C/C(=O)Nc1ncccc1[O-])c1ccccc1C ZINC001567485425 961353534 /nfs/dbraw/zinc/35/35/34/961353534.db2.gz IGAIQGBLDLRHOO-BENRWUELSA-N -1 3 268.316 3.138 20 0 CGADHM O=C(Nc1c([O-])cccc1Cl)c1scnc1Cl ZINC001569682817 961819605 /nfs/dbraw/zinc/81/96/05/961819605.db2.gz VMIPJBBTUXFVPP-UHFFFAOYSA-N -1 3 289.143 3.408 20 0 CGADHM C[C@@H]1CCCC[C@H]1CNc1cccc(F)c1-c1nnn[n-]1 ZINC001576171711 962435855 /nfs/dbraw/zinc/43/58/55/962435855.db2.gz RGPORRMIJSWGAJ-MNOVXSKESA-N -1 3 289.358 3.244 20 0 CGADHM C[C@@H]1CCCC[C@H]1CNc1cccc(F)c1-c1nn[n-]n1 ZINC001576171711 962435862 /nfs/dbraw/zinc/43/58/62/962435862.db2.gz RGPORRMIJSWGAJ-MNOVXSKESA-N -1 3 289.358 3.244 20 0 CGADHM CCCCC[C@@H](C)Nc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC001577501946 962556586 /nfs/dbraw/zinc/55/65/86/962556586.db2.gz AUUIRKVMKBBEAM-LLVKDONJSA-N -1 3 289.383 3.256 20 0 CGADHM CCCCC[C@@H](C)Nc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC001577501946 962556603 /nfs/dbraw/zinc/55/66/03/962556603.db2.gz AUUIRKVMKBBEAM-LLVKDONJSA-N -1 3 289.383 3.256 20 0 CGADHM Cc1ccc(Sc2cc(-c3nnn[n-]3)cc(C)n2)cc1 ZINC001581213861 962755296 /nfs/dbraw/zinc/75/52/96/962755296.db2.gz NUWBBEFBNZUURX-UHFFFAOYSA-N -1 3 283.360 3.030 20 0 CGADHM Cc1ccc(Sc2cc(-c3nn[n-]n3)cc(C)n2)cc1 ZINC001581213861 962755310 /nfs/dbraw/zinc/75/53/10/962755310.db2.gz NUWBBEFBNZUURX-UHFFFAOYSA-N -1 3 283.360 3.030 20 0 CGADHM Cc1ccc(SCCC2CC2)c(-c2nnn[n-]2)c1 ZINC001581213660 962756596 /nfs/dbraw/zinc/75/65/96/962756596.db2.gz DNHGGOSBLGQUNO-UHFFFAOYSA-N -1 3 260.366 3.067 20 0 CGADHM Cc1ccc(SCCC2CC2)c(-c2nn[n-]n2)c1 ZINC001581213660 962756613 /nfs/dbraw/zinc/75/66/13/962756613.db2.gz DNHGGOSBLGQUNO-UHFFFAOYSA-N -1 3 260.366 3.067 20 0 CGADHM CN(C(=O)c1cc2sccc2c([O-])c1)c1nccs1 ZINC001585098023 962982689 /nfs/dbraw/zinc/98/26/89/962982689.db2.gz IRRWEGHBWWROBB-UHFFFAOYSA-N -1 3 290.369 3.340 20 0 CGADHM CC(=O)CCCCCSc1ccc(-c2nnn[n-]2)cc1 ZINC001588791906 963315685 /nfs/dbraw/zinc/31/56/85/963315685.db2.gz HZTYGXMNKSOMAL-UHFFFAOYSA-N -1 3 290.392 3.108 20 0 CGADHM CC(=O)CCCCCSc1ccc(-c2nn[n-]n2)cc1 ZINC001588791906 963315694 /nfs/dbraw/zinc/31/56/94/963315694.db2.gz HZTYGXMNKSOMAL-UHFFFAOYSA-N -1 3 290.392 3.108 20 0 CGADHM CC(=O)c1ccc(-c2nnn[n-]2)c(NCCC2CCCC2)c1 ZINC001588908692 963325769 /nfs/dbraw/zinc/32/57/69/963325769.db2.gz VPFYQDKIUGKZHD-UHFFFAOYSA-N -1 3 299.378 3.062 20 0 CGADHM CC(=O)c1ccc(-c2nn[n-]n2)c(NCCC2CCCC2)c1 ZINC001588908692 963325775 /nfs/dbraw/zinc/32/57/75/963325775.db2.gz VPFYQDKIUGKZHD-UHFFFAOYSA-N -1 3 299.378 3.062 20 0 CGADHM CC(C)(C)CCN1CCCc2c(-c3nnn[n-]3)cccc21 ZINC001589124292 963341236 /nfs/dbraw/zinc/34/12/36/963341236.db2.gz BONHJRPACLKQHH-UHFFFAOYSA-N -1 3 285.395 3.056 20 0 CGADHM CC(C)(C)CCN1CCCc2c(-c3nn[n-]n3)cccc21 ZINC001589124292 963341245 /nfs/dbraw/zinc/34/12/45/963341245.db2.gz BONHJRPACLKQHH-UHFFFAOYSA-N -1 3 285.395 3.056 20 0 CGADHM CC(C)(C)CCCSc1cc(-c2nnn[n-]2)ccn1 ZINC001589125079 963342198 /nfs/dbraw/zinc/34/21/98/963342198.db2.gz SAOKEESJWUXORG-UHFFFAOYSA-N -1 3 277.397 3.180 20 0 CGADHM CC(C)(C)CCCSc1cc(-c2nn[n-]n2)ccn1 ZINC001589125079 963342206 /nfs/dbraw/zinc/34/22/06/963342206.db2.gz SAOKEESJWUXORG-UHFFFAOYSA-N -1 3 277.397 3.180 20 0 CGADHM CC(C)(CSc1ccncc1-c1nnn[n-]1)CC(F)F ZINC001589301042 963980163 /nfs/dbraw/zinc/98/01/63/963980163.db2.gz SUEBEXKXZQQJOJ-UHFFFAOYSA-N -1 3 299.350 3.035 20 0 CGADHM CC(C)(CSc1ccncc1-c1nn[n-]n1)CC(F)F ZINC001589301042 963980170 /nfs/dbraw/zinc/98/01/70/963980170.db2.gz SUEBEXKXZQQJOJ-UHFFFAOYSA-N -1 3 299.350 3.035 20 0 CGADHM CC[C@H](NCc1ccccc1C(=O)[O-])c1ccncc1 ZINC001603585372 973748880 /nfs/dbraw/zinc/74/88/80/973748880.db2.gz AXHLVCTXXCLKIP-HNNXBMFYSA-N -1 3 270.332 3.021 20 0 CGADHM CC(C)c1nc([C@@H](C)N[C@@H]2CC=C(C(=O)[O-])C2)cs1 ZINC001592014718 976694575 /nfs/dbraw/zinc/69/45/75/976694575.db2.gz FXVWHSHYKJGEHK-MWLCHTKSSA-N -1 3 280.393 3.091 20 0 CGADHM CC[C@H](CN[C@H](C)c1ncc(C(=O)[O-])s1)CC(F)F ZINC001595165396 979708249 /nfs/dbraw/zinc/70/82/49/979708249.db2.gz CBFDKFLXEPMRJH-SFYZADRCSA-N -1 3 292.351 3.173 20 0 CGADHM C[C@@H](N(C)Cc1nc2cc(C(=O)[O-])ccc2[nH]1)C(C)(C)C ZINC001592950902 980033228 /nfs/dbraw/zinc/03/32/28/980033228.db2.gz UVVSMPWKYQJAIE-SNVBAGLBSA-N -1 3 289.379 3.128 20 0 CGADHM CC[C@@H](C)[C@H](C)N1CCc2c(C(=O)[O-])ccc(OC)c2C1 ZINC001594882820 982251185 /nfs/dbraw/zinc/25/11/85/982251185.db2.gz ZMAAUQPWDOXVEE-NEPJUHHUSA-N -1 3 291.391 3.186 20 0 CGADHM CC[C@@H](N[C@@H](C(=O)[O-])c1cccnc1)c1ccc(F)cc1 ZINC001597291677 987380253 /nfs/dbraw/zinc/38/02/53/987380253.db2.gz RMTZHJXMRNDNPB-HUUCEWRRSA-N -1 3 288.322 3.087 20 0 CGADHM CC(C)(CCN1CCc2cccc(Cl)c2C1)C(=O)[O-] ZINC001590671272 990381888 /nfs/dbraw/zinc/38/18/88/990381888.db2.gz ROLNCZNPJHVDCQ-UHFFFAOYSA-N -1 3 281.783 3.199 20 0 CGADHM CC(C)[C@@H](C)N([C@H](C)c1ncc(C(=O)[O-])s1)C1CC1 ZINC001590974244 991106428 /nfs/dbraw/zinc/10/64/28/991106428.db2.gz CFAMBJIXVWIAFX-NXEZZACHSA-N -1 3 282.409 3.411 20 0 CGADHM CC(C)[C@@H](c1ccccc1)N(C)Cc1cnc(C(=O)[O-])cn1 ZINC001591058634 991475065 /nfs/dbraw/zinc/47/50/65/991475065.db2.gz RTACZVZNLTYNDD-INIZCTEOSA-N -1 3 299.374 3.004 20 0 CGADHM CC(C)[C@@H]1N(Cc2ccc(C(=O)[O-])[nH]2)CC12CCCC2 ZINC001591098858 991706184 /nfs/dbraw/zinc/70/61/84/991706184.db2.gz FNBBCYCREFBNQZ-AWEZNQCLSA-N -1 3 276.380 3.114 20 0 CGADHM C[C@@H](NCc1cc(C(=O)[O-])c2n1CCCC2)c1ccccc1 ZINC001593289601 994665394 /nfs/dbraw/zinc/66/53/94/994665394.db2.gz VMYFUINJVVQKPJ-CYBMUJFWSA-N -1 3 298.386 3.373 20 0 CGADHM CC1(C)CC[C@@H](CN[C@H](C(=O)[O-])c2ccccc2Cl)O1 ZINC001593878120 996703062 /nfs/dbraw/zinc/70/30/62/996703062.db2.gz LWQUMETWOUAEMK-GWCFXTLKSA-N -1 3 297.782 3.013 20 0 CGADHM C[C@@H](c1ncc(C(=O)[O-])s1)N(C)[C@H]1CCC[C@@H](C)C1 ZINC001594348575 999321834 /nfs/dbraw/zinc/32/18/34/999321834.db2.gz PVIOAMYQIJEPHS-VWYCJHECSA-N -1 3 282.409 3.413 20 0 CGADHM Cc1cc(C(=O)N2CC3CC2(c2ccccc2)C3)ccc1[O-] ZINC000621011478 349442992 /nfs/dbraw/zinc/44/29/92/349442992.db2.gz SCRJNNJHEANYAQ-UHFFFAOYSA-N -1 3 293.366 3.462 20 0 CGADHM CCCCOc1ccc(C(=O)N2CC3CC2(C)C3)c([O-])c1 ZINC000621216337 349474211 /nfs/dbraw/zinc/47/42/11/349474211.db2.gz JCOYLAZDMAWUJB-UHFFFAOYSA-N -1 3 289.375 3.196 20 0 CGADHM O=C(COc1ccsc1Cl)Nc1ccccc1[O-] ZINC000350698567 219049843 /nfs/dbraw/zinc/04/98/43/219049843.db2.gz DRNHDKLEGQOPFU-UHFFFAOYSA-N -1 3 283.736 3.125 20 0 CGADHM Cc1cccc([O-])c1NC(=O)[C@@H]1C[C@@H]1C1CCCC1 ZINC000651638078 398260106 /nfs/dbraw/zinc/26/01/06/398260106.db2.gz LNFHFKKYSRXBCV-CHWSQXEVSA-N -1 3 259.349 3.465 20 0 CGADHM CC(C)CCN(C(=O)c1cc(F)c[n-]c1=O)C1CCCC1 ZINC000621906720 349605828 /nfs/dbraw/zinc/60/58/28/349605828.db2.gz WSAVOMMMHYIBTO-UHFFFAOYSA-N -1 3 294.370 3.357 20 0 CGADHM O=C(N[C@H]1CCC[C@@H]2C[C@@H]21)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622101111 349629570 /nfs/dbraw/zinc/62/95/70/349629570.db2.gz XESLYGDJLCGAEA-JCOFBHIZSA-N -1 3 299.292 3.329 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@]1(C)CC=C(C)CC1 ZINC000622122550 349632335 /nfs/dbraw/zinc/63/23/35/349632335.db2.gz NYCDLHOHZMHQEA-MRXNPFEDSA-N -1 3 275.396 3.338 20 0 CGADHM CC[C@@H](C)[C@H](C)N(C(=O)Cc1ccc([O-])c(F)c1)C1CC1 ZINC000448908331 529411228 /nfs/dbraw/zinc/41/12/28/529411228.db2.gz GADWUBNYFVQCPV-NEPJUHHUSA-N -1 3 293.382 3.499 20 0 CGADHM CC[C@@H](C)n1nc(C(=O)Nc2ccc(C)cc2[O-])cc1C ZINC000436893031 529439025 /nfs/dbraw/zinc/43/90/25/529439025.db2.gz LZIPQZRDEBCXHT-LLVKDONJSA-N -1 3 287.363 3.429 20 0 CGADHM CCCc1csc(NC(=O)c2ccc(C)cc2[O-])n1 ZINC000622476252 349682170 /nfs/dbraw/zinc/68/21/70/349682170.db2.gz FNOGACFRHQCTCW-UHFFFAOYSA-N -1 3 276.361 3.362 20 0 CGADHM CCc1ccc(C(=O)Nc2cc(CC)ccc2O)c([O-])c1 ZINC000622467791 349682293 /nfs/dbraw/zinc/68/22/93/349682293.db2.gz HVBVGWVCCXUGLX-UHFFFAOYSA-N -1 3 285.343 3.475 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2cnc3c(c2)CCCC3)c1 ZINC000622501939 349683930 /nfs/dbraw/zinc/68/39/30/349683930.db2.gz BJQJDYHNNZRJGL-UHFFFAOYSA-N -1 3 282.343 3.227 20 0 CGADHM Cc1ccccc1C(C)(C)NC(=O)c1ccccc1[O-] ZINC000622620019 349689803 /nfs/dbraw/zinc/68/98/03/349689803.db2.gz CBWOQHSHZMULAQ-UHFFFAOYSA-N -1 3 269.344 3.366 20 0 CGADHM CCc1ccc([O-])c(C(=O)N[C@@H](C2CC2)C2CCC2)c1 ZINC000622681140 349694117 /nfs/dbraw/zinc/69/41/17/349694117.db2.gz CRLZRVALKXIQSQ-MRXNPFEDSA-N -1 3 273.376 3.263 20 0 CGADHM CCc1cc(C(=O)N[C@@H]2CCC[C@@H]2CC)ccc1[O-] ZINC000436704390 529518998 /nfs/dbraw/zinc/51/89/98/529518998.db2.gz OTLLSNXFPNAQDF-SMDDNHRTSA-N -1 3 261.365 3.263 20 0 CGADHM CCc1cccc(C(=O)NC2(C3CCC3)CC2)c1[O-] ZINC000622741905 349698222 /nfs/dbraw/zinc/69/82/22/349698222.db2.gz TYOKZNPEWCKUAV-UHFFFAOYSA-N -1 3 259.349 3.017 20 0 CGADHM CCc1cccc(S(=O)(=O)[N-]c2ccc(F)cc2F)c1 ZINC000176399175 529549188 /nfs/dbraw/zinc/54/91/88/529549188.db2.gz QDLMEUVMDGDOFP-UHFFFAOYSA-N -1 3 297.326 3.328 20 0 CGADHM CC(C)N(C(=O)c1cc([O-])cc(C(F)(F)F)c1)C1CC1 ZINC000623017888 349751757 /nfs/dbraw/zinc/75/17/57/349751757.db2.gz NOPNIGQOJAASLB-UHFFFAOYSA-N -1 3 287.281 3.424 20 0 CGADHM [O-]c1ccc(F)c(CN2CCC[C@H]2C2CCC2)c1F ZINC000350972729 219072335 /nfs/dbraw/zinc/07/23/35/219072335.db2.gz SXAVJPIKKJDDHN-ZDUSSCGKSA-N -1 3 267.319 3.435 20 0 CGADHM CCc1csc([N-]C(=O)c2cc(-c3ccco3)on2)n1 ZINC000355085898 529691028 /nfs/dbraw/zinc/69/10/28/529691028.db2.gz ZQRJDEBRBDAJRL-UHFFFAOYSA-N -1 3 289.316 3.206 20 0 CGADHM COc1ccc(C)cc1[C@H](C)NC(=O)c1cccc([O-])c1 ZINC000351053629 219076241 /nfs/dbraw/zinc/07/62/41/219076241.db2.gz SQVVVRVEKBJGEI-LBPRGKRZSA-N -1 3 285.343 3.200 20 0 CGADHM CCc1ccc([C@H](NCc2ccccc2C)C(=O)[O-])cc1 ZINC000426803789 529726403 /nfs/dbraw/zinc/72/64/03/529726403.db2.gz PGABVRYQPXGLCZ-KRWDZBQOSA-N -1 3 283.371 3.473 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CCC[C@H]1c1cccnc1 ZINC000623598665 349845106 /nfs/dbraw/zinc/84/51/06/349845106.db2.gz JXJOKPZELIJWCU-AWEZNQCLSA-N -1 3 282.343 3.073 20 0 CGADHM CN(CC(F)F)C(=O)CCc1ccc2ccccc2c1[O-] ZINC000448909208 529851023 /nfs/dbraw/zinc/85/10/23/529851023.db2.gz HKKYPFRJKFBXKQ-UHFFFAOYSA-N -1 3 293.313 3.202 20 0 CGADHM Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc(C)cc1[O-])CC2 ZINC000592661766 347004513 /nfs/dbraw/zinc/00/45/13/347004513.db2.gz CTXSCHQOZAMXBV-INIZCTEOSA-N -1 3 281.355 3.426 20 0 CGADHM Cc1cccnc1CCCNCc1c(F)ccc([O-])c1F ZINC000295084461 199336604 /nfs/dbraw/zinc/33/66/04/199336604.db2.gz SLQOFKLDZBKKSI-UHFFFAOYSA-N -1 3 292.329 3.096 20 0 CGADHM Cc1ccc([O-])c(C(=O)N[C@@H]2CCc3ccc(F)cc32)c1 ZINC000592658490 347003901 /nfs/dbraw/zinc/00/39/01/347003901.db2.gz RXTZOQBNONMGEE-OAHLLOKOSA-N -1 3 285.318 3.257 20 0 CGADHM CN[C@@H](CC(C)(C)C)C(=O)Nc1cccc(Cl)c1[O-] ZINC000449127413 530042653 /nfs/dbraw/zinc/04/26/53/530042653.db2.gz WNDINXPOGZBUHL-NSHDSACASA-N -1 3 284.787 3.008 20 0 CGADHM Cc1c(C(=O)[N-]c2nncs2)sc2cccc(F)c12 ZINC000021214720 344892615 /nfs/dbraw/zinc/89/26/15/344892615.db2.gz WECUYJPPJUZJNR-UHFFFAOYSA-N -1 3 293.348 3.453 20 0 CGADHM Cc1ccc(C(=O)N(C)Cc2ccc(F)c(F)c2)c([O-])c1 ZINC000044439390 345010125 /nfs/dbraw/zinc/01/01/25/345010125.db2.gz JCMWNAOSJIPONH-UHFFFAOYSA-N -1 3 291.297 3.251 20 0 CGADHM CCc1ccc(S(=O)(=O)[N-]c2cccc(F)c2F)cc1 ZINC000049375398 345073433 /nfs/dbraw/zinc/07/34/33/345073433.db2.gz FVTAHROHHJZWQY-UHFFFAOYSA-N -1 3 297.326 3.328 20 0 CGADHM CC[C@H](NC(=O)c1cccc(OC)c1[O-])C1CCCCC1 ZINC000052343732 345102783 /nfs/dbraw/zinc/10/27/83/345102783.db2.gz PHJBRSRRMIILBG-AWEZNQCLSA-N -1 3 291.391 3.490 20 0 CGADHM C[C@H]1C[C@H](C)CN(Cc2ccc(C(=O)[O-])cc2F)C1 ZINC000062749633 345240337 /nfs/dbraw/zinc/24/03/37/345240337.db2.gz KTVCCLYCSZXRHZ-QWRGUYRKSA-N -1 3 265.328 3.002 20 0 CGADHM O=C(Nc1ccccc1[O-])c1nccc2ccccc21 ZINC000063536677 345248863 /nfs/dbraw/zinc/24/88/63/345248863.db2.gz ZXHHBKQPJFXDLZ-UHFFFAOYSA-N -1 3 264.284 3.193 20 0 CGADHM CCCOc1ccc(CNC(=O)c2cc(C)ccc2[O-])cc1 ZINC000059307232 345207355 /nfs/dbraw/zinc/20/73/55/345207355.db2.gz NUWZWBUDMBCDSS-UHFFFAOYSA-N -1 3 299.370 3.419 20 0 CGADHM O=C(Cc1ccc2c(c1)CCC2)Nc1ccccc1[O-] ZINC000060657861 345221705 /nfs/dbraw/zinc/22/17/05/345221705.db2.gz FABMEHHOKRQQPA-UHFFFAOYSA-N -1 3 267.328 3.062 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])[C@@H]1CC=CCC1 ZINC000067145343 345315768 /nfs/dbraw/zinc/31/57/68/345315768.db2.gz HNAURVLOYZORLD-SECBINFHSA-N -1 3 251.713 3.340 20 0 CGADHM CCCC(C)(C)[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000065268652 345270556 /nfs/dbraw/zinc/27/05/56/345270556.db2.gz AKYBDVNREPCRBK-UHFFFAOYSA-N -1 3 293.791 3.336 20 0 CGADHM COc1ccc(CN2CCC[C@H](CC(=O)[O-])C2)cc1Cl ZINC000086757652 345750625 /nfs/dbraw/zinc/75/06/25/345750625.db2.gz GIEDTSOOXDIEMR-LLVKDONJSA-N -1 3 297.782 3.035 20 0 CGADHM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCCC(C)(C)C1 ZINC000091782696 345823155 /nfs/dbraw/zinc/82/31/55/345823155.db2.gz ZWMSYXDRTXGGSO-JTQLQIEISA-N -1 3 251.326 3.161 20 0 CGADHM C[C@@H]1CC[C@@H](C)N(Cc2ccc(C(=O)[O-])cc2F)C1 ZINC000088712478 345763822 /nfs/dbraw/zinc/76/38/22/345763822.db2.gz KIXHXNWMRQWJOY-GHMZBOCLSA-N -1 3 265.328 3.144 20 0 CGADHM [O-]C(=NOC1CCCC1)Nc1cnc(-c2ccccc2)nc1 ZINC000089265157 345767300 /nfs/dbraw/zinc/76/73/00/345767300.db2.gz SBIZSESHDLQCIV-UHFFFAOYSA-N -1 3 298.346 3.139 20 0 CGADHM O=C([N-]OC1CCCC1)Nc1cnc(-c2ccccc2)nc1 ZINC000089265157 345767304 /nfs/dbraw/zinc/76/73/04/345767304.db2.gz SBIZSESHDLQCIV-UHFFFAOYSA-N -1 3 298.346 3.139 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2cc(CO)ccc2C)c1 ZINC000092763173 345857210 /nfs/dbraw/zinc/85/72/10/345857210.db2.gz JYRYXZXBBNTJTL-UHFFFAOYSA-N -1 3 285.343 3.008 20 0 CGADHM Cc1ccc([O-])c(CN2CCc3ccc(Cl)cc3C2)n1 ZINC000093838219 345889082 /nfs/dbraw/zinc/88/90/82/345889082.db2.gz KEFRWQNRBQQQCH-UHFFFAOYSA-N -1 3 288.778 3.307 20 0 CGADHM CC[C@H](CC(=O)Nc1nnc(-c2ccco2)[n-]1)C(C)C ZINC000104837749 345925456 /nfs/dbraw/zinc/92/54/56/345925456.db2.gz RXBVTCPWXOWZJX-SNVBAGLBSA-N -1 3 276.340 3.076 20 0 CGADHM CC[C@H](CC(=O)Nc1nc(-c2ccco2)n[n-]1)C(C)C ZINC000104837749 345925457 /nfs/dbraw/zinc/92/54/57/345925457.db2.gz RXBVTCPWXOWZJX-SNVBAGLBSA-N -1 3 276.340 3.076 20 0 CGADHM CC[C@H](CC(=O)Nc1n[n-]c(-c2ccco2)n1)C(C)C ZINC000104837749 345925459 /nfs/dbraw/zinc/92/54/59/345925459.db2.gz RXBVTCPWXOWZJX-SNVBAGLBSA-N -1 3 276.340 3.076 20 0 CGADHM Cc1ccc(F)cc1CN1CCC[C@@H](CCC(=O)[O-])C1 ZINC000097850427 345909685 /nfs/dbraw/zinc/90/96/85/345909685.db2.gz VONRFICCWFEFIT-ZDUSSCGKSA-N -1 3 279.355 3.211 20 0 CGADHM O=C(Nc1ccccc1[O-])[C@H]1SCCc2ccccc21 ZINC000175083926 346247256 /nfs/dbraw/zinc/24/72/56/346247256.db2.gz DDMKDDHLRHXTRM-HNNXBMFYSA-N -1 3 285.368 3.361 20 0 CGADHM CC(C)C[C@H](C(=O)[O-])N(C)Cc1ccccc1Cl ZINC000197359807 346277410 /nfs/dbraw/zinc/27/74/10/346277410.db2.gz SKPZDBYUGWAJAA-CYBMUJFWSA-N -1 3 269.772 3.271 20 0 CGADHM O=C([O-])[C@@H]1[C@H]2CCC[C@H]2CN1Cc1cc(Cl)ccc1F ZINC000300128324 346436160 /nfs/dbraw/zinc/43/61/60/346436160.db2.gz KHNJDXSQWVUBFC-WFBYXXMGSA-N -1 3 297.757 3.164 20 0 CGADHM O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1ccc(F)cc1Cl ZINC000300242316 346436740 /nfs/dbraw/zinc/43/67/40/346436740.db2.gz ZJYGUZGOEIOAPG-BHYNMZESSA-N -1 3 297.757 3.164 20 0 CGADHM CCCOc1ccc(CN[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000315478725 346483442 /nfs/dbraw/zinc/48/34/42/346483442.db2.gz SEEYBNSWXPFSTP-KRWDZBQOSA-N -1 3 299.370 3.391 20 0 CGADHM O=C([O-])[C@@H](NCc1ccnc2ccccc12)c1ccccc1 ZINC000315644349 346484342 /nfs/dbraw/zinc/48/43/42/346484342.db2.gz ATKUQTQJHUSWSQ-KRWDZBQOSA-N -1 3 292.338 3.150 20 0 CGADHM C[C@@H]1CC[C@@]2(CCN(Cc3csc(C(=O)[O-])c3)C2)C1 ZINC000584637913 346701729 /nfs/dbraw/zinc/70/17/29/346701729.db2.gz FXHGYNYRRZCRAH-IAQYHMDHSA-N -1 3 279.405 3.458 20 0 CGADHM CC[C@H]1CN([C@@H](C(=O)[O-])c2cccc(Cl)c2)CCS1 ZINC000584725618 346710437 /nfs/dbraw/zinc/71/04/37/346710437.db2.gz RYUKGWKCXJFNFK-QWHCGFSZSA-N -1 3 299.823 3.293 20 0 CGADHM Cc1ccc([O-])c(NC(=O)C(C)(C)C(C)(C)C)n1 ZINC000351773118 219201825 /nfs/dbraw/zinc/20/18/25/219201825.db2.gz CCYOQKHREZDNKA-UHFFFAOYSA-N -1 3 250.342 3.106 20 0 CGADHM Cc1nc([N-]C(=O)c2csc(C(F)(F)F)n2)cs1 ZINC000336127780 293338062 /nfs/dbraw/zinc/33/80/62/293338062.db2.gz PAFDUPDBVBSWNE-UHFFFAOYSA-N -1 3 293.295 3.179 20 0 CGADHM CCc1noc(CSCc2cc([O-])ccc2Cl)n1 ZINC000600620570 347815894 /nfs/dbraw/zinc/81/58/94/347815894.db2.gz XTXAYHPVUPOFDX-UHFFFAOYSA-N -1 3 284.768 3.424 20 0 CGADHM CSC1CCN([C@@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC000601964490 347930105 /nfs/dbraw/zinc/93/01/05/347930105.db2.gz RCGKQTJSXWPDMC-CYBMUJFWSA-N -1 3 299.823 3.293 20 0 CGADHM Cc1cccc([N-]S(=O)(=O)CCc2cccs2)c1F ZINC000357081625 232896881 /nfs/dbraw/zinc/89/68/81/232896881.db2.gz WBGAZKRWEGKXJG-UHFFFAOYSA-N -1 3 299.392 3.180 20 0 CGADHM Cc1csc(N(C)C(=O)c2cc([O-])ccc2Cl)n1 ZINC000336611628 213520990 /nfs/dbraw/zinc/52/09/90/213520990.db2.gz KJBSZZIKOYWPGR-UHFFFAOYSA-N -1 3 282.752 3.087 20 0 CGADHM CSc1ccc([O-])c(C(=O)N2CC[C@@H](C(C)C)C2)c1 ZINC000612187550 348500416 /nfs/dbraw/zinc/50/04/16/348500416.db2.gz QOIHOPNNQJNSIS-LLVKDONJSA-N -1 3 279.405 3.232 20 0 CGADHM CC(C)(CC(F)(F)F)C(=O)NCc1ccc([O-])c(F)c1 ZINC000612632076 348536257 /nfs/dbraw/zinc/53/62/57/348536257.db2.gz LTXVKKJZANVQOJ-UHFFFAOYSA-N -1 3 293.260 3.126 20 0 CGADHM CSc1ccc([O-])c(C(=O)N[C@H](C)C2CCC2)c1 ZINC000613000470 348558098 /nfs/dbraw/zinc/55/80/98/348558098.db2.gz AQOFSNPALAOLLR-SECBINFHSA-N -1 3 265.378 3.033 20 0 CGADHM CSc1ccc([O-])c(C(=O)N2CC[C@@H](C)[C@H](C)C2)c1 ZINC000613157414 348569122 /nfs/dbraw/zinc/56/91/22/348569122.db2.gz BRYIMMYNDBEPIZ-GHMZBOCLSA-N -1 3 279.405 3.232 20 0 CGADHM CO[C@@H](C(=O)N1CC[C@H](C)c2cccc([O-])c21)C1CCC1 ZINC000613575470 348620274 /nfs/dbraw/zinc/62/02/74/348620274.db2.gz DCYQWSQQXYIFFJ-MEDUHNTESA-N -1 3 289.375 3.048 20 0 CGADHM CSc1ccc([O-])c(C(=O)N2CC(C)=C[C@@H](C)C2)c1 ZINC000614359737 348669859 /nfs/dbraw/zinc/66/98/59/348669859.db2.gz CNNHVUFINCSKSU-SNVBAGLBSA-N -1 3 277.389 3.152 20 0 CGADHM Cc1ccc(OCCN(C)Cc2cc([O-])cc(F)c2)cc1 ZINC000351988578 219277593 /nfs/dbraw/zinc/27/75/93/219277593.db2.gz JHPNEAMHGOAKFW-UHFFFAOYSA-N -1 3 289.350 3.351 20 0 CGADHM O=C(Nc1ccc([O-])cc1Cl)c1snnc1C1CC1 ZINC000616939986 348884770 /nfs/dbraw/zinc/88/47/70/348884770.db2.gz RFAHMROGHXYSRB-UHFFFAOYSA-N -1 3 295.751 3.027 20 0 CGADHM C[C@H](C(=O)Nc1ccc([O-])cc1Cl)C1CCOCC1 ZINC000616941084 348884925 /nfs/dbraw/zinc/88/49/25/348884925.db2.gz QKRKZUMZSGBCPG-VIFPVBQESA-N -1 3 283.755 3.047 20 0 CGADHM CO[C@H]1CCC[C@@H](C(=O)Nc2ccc([O-])cc2Cl)C1 ZINC000616939632 348885169 /nfs/dbraw/zinc/88/51/69/348885169.db2.gz IPIWCBANEXPKPU-KOLCDFICSA-N -1 3 283.755 3.189 20 0 CGADHM CCC(C)(C)OCC(=O)Nc1ccc([O-])cc1Cl ZINC000616943303 348885617 /nfs/dbraw/zinc/88/56/17/348885617.db2.gz WDLJJRCBTGBKCJ-UHFFFAOYSA-N -1 3 271.744 3.189 20 0 CGADHM O=C(Nc1ccc([O-])cc1Cl)[C@]12C[C@H]1CCC2 ZINC000616942766 348885947 /nfs/dbraw/zinc/88/59/47/348885947.db2.gz CDYKJZLFMGGGMN-AMIZOPFISA-N -1 3 251.713 3.174 20 0 CGADHM Cc1ncc(C(=O)[N-]c2nnc(CCC(C)C)s2)s1 ZINC000617097094 348917104 /nfs/dbraw/zinc/91/71/04/348917104.db2.gz GVMLFJAHHIQQAH-UHFFFAOYSA-N -1 3 296.421 3.144 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)C2CC2)o1 ZINC000358468563 233137158 /nfs/dbraw/zinc/13/71/58/233137158.db2.gz GWPWDFAAWWEPKA-OAHLLOKOSA-N -1 3 291.372 3.018 20 0 CGADHM O=c1cc(C=Cc2ccc(F)cc2)nc(C2CC2)[n-]1 ZINC000352006998 219286927 /nfs/dbraw/zinc/28/69/27/219286927.db2.gz IWMWIGPSFYCCCX-BAQGIRSFSA-N -1 3 256.280 3.369 20 0 CGADHM CCc1cccc(C(=O)N2CCC[C@@H](CCF)C2)c1[O-] ZINC000618695513 349146064 /nfs/dbraw/zinc/14/60/64/349146064.db2.gz DSOFHIHNTPNCFO-LBPRGKRZSA-N -1 3 279.355 3.166 20 0 CGADHM CCS[C@H](C)c1noc(-c2cccc(OC)c2[O-])n1 ZINC000273996823 192396047 /nfs/dbraw/zinc/39/60/47/192396047.db2.gz QSKTVGOSTVWYTO-MRVPVSSYSA-N -1 3 280.349 3.265 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2cnc(C3CCC3)s2)n1 ZINC000352034476 219296595 /nfs/dbraw/zinc/29/65/95/219296595.db2.gz CDMCKXYLCCYBMU-WAYWQWQTSA-N -1 3 273.361 3.385 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2nc(-c3ccccc3)c[nH]2)n1 ZINC000352035405 219296791 /nfs/dbraw/zinc/29/67/91/219296791.db2.gz QKPHZDBNTNPQEO-BQYQJAHWSA-N -1 3 278.315 3.051 20 0 CGADHM COc1cc(C(=O)N[C@@H]2CC[C@@H]2c2ccccc2)ccc1[O-] ZINC000619213371 349221974 /nfs/dbraw/zinc/22/19/74/349221974.db2.gz DYCDPFMNLLRDOX-HUUCEWRRSA-N -1 3 297.354 3.077 20 0 CGADHM CCn1nc(C=Cc2nc(C)cc(=O)[n-]2)c2ccccc21 ZINC000352036126 219297990 /nfs/dbraw/zinc/29/79/90/219297990.db2.gz WJCSABJGHKJWFQ-CMDGGOBGSA-N -1 3 280.331 3.031 20 0 CGADHM CCC(CC)CCCN(C)C(=O)c1csc(=O)[n-]1 ZINC000620199071 349335681 /nfs/dbraw/zinc/33/56/81/349335681.db2.gz VVIYFFZMGDJWPQ-UHFFFAOYSA-N -1 3 270.398 3.137 20 0 CGADHM O=C(c1cccc([O-])c1)N1CCC[C@@H](C2CCC2)C1 ZINC000620216913 349341991 /nfs/dbraw/zinc/34/19/91/349341991.db2.gz FYQDASANLDKCSN-CQSZACIVSA-N -1 3 259.349 3.045 20 0 CGADHM COc1ccc([O-])c(C(=O)N(CCC2CC2)CC2CC2)c1 ZINC000620628978 349398854 /nfs/dbraw/zinc/39/88/54/349398854.db2.gz VTDPVYIHKOYYTQ-UHFFFAOYSA-N -1 3 289.375 3.053 20 0 CGADHM C[C@H](Cc1nc(-c2ccc([O-])cc2)no1)C(F)(F)F ZINC000624555577 350064535 /nfs/dbraw/zinc/06/45/35/350064535.db2.gz NROLNFLBGPYHDO-SSDOTTSWSA-N -1 3 272.226 3.183 20 0 CGADHM O=C(c1cc2c(cc1[O-])CCCC2)N(CC(F)F)C1CC1 ZINC000271247762 191025857 /nfs/dbraw/zinc/02/58/57/191025857.db2.gz IRJLFTDTACNYPH-UHFFFAOYSA-N -1 3 295.329 3.141 20 0 CGADHM [O-]c1ccc(Cl)c(CN2CCC(n3ccnc3)CC2)c1 ZINC000625215669 350141700 /nfs/dbraw/zinc/14/17/00/350141700.db2.gz GAZAPKUSPHZUND-UHFFFAOYSA-N -1 3 291.782 3.079 20 0 CGADHM [O-]c1ccc(Cl)c(CN[C@@H](CCO)c2ccccc2)c1 ZINC000625282294 350152497 /nfs/dbraw/zinc/15/24/97/350152497.db2.gz FQLUBURDGRMISQ-INIZCTEOSA-N -1 3 291.778 3.259 20 0 CGADHM CO[C@@H]1CCN(Cc2cc([O-])ccc2Cl)[C@@H](C)C1 ZINC000625392450 350167562 /nfs/dbraw/zinc/16/75/62/350167562.db2.gz FHORCWFGPMJDSN-GXFFZTMASA-N -1 3 269.772 3.045 20 0 CGADHM Cc1noc([C@@H]2CCCN2Cc2cc([O-])ccc2Cl)n1 ZINC000625429210 350169924 /nfs/dbraw/zinc/16/99/24/350169924.db2.gz SABAMAAUWWDGJX-ZDUSSCGKSA-N -1 3 293.754 3.074 20 0 CGADHM CC(C)c1cnc([N-]C(=O)c2ocnc2C(F)F)s1 ZINC000625848104 350220079 /nfs/dbraw/zinc/22/00/79/350220079.db2.gz QWSSXDCZPZITMD-UHFFFAOYSA-N -1 3 287.291 3.444 20 0 CGADHM O=C([O-])[C@@H]1CCC[C@@H]1NCc1c(Cl)oc2ccccc21 ZINC000625969302 350236934 /nfs/dbraw/zinc/23/69/34/350236934.db2.gz YMOTZINUVGNWSW-PWSUYJOCSA-N -1 3 293.750 3.429 20 0 CGADHM CSc1ccc(CN2CC[C@@H](C(=O)[O-])[C@H](C)C2)s1 ZINC000625970444 350238051 /nfs/dbraw/zinc/23/80/51/350238051.db2.gz QUSRJJPNSDBZRU-MWLCHTKSSA-N -1 3 285.434 3.013 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CCC[C@H]1c1ccc(O)cc1 ZINC000626102647 350259997 /nfs/dbraw/zinc/25/99/97/350259997.db2.gz SCFAOROLSDIWBP-HNNXBMFYSA-N -1 3 297.354 3.384 20 0 CGADHM Cc1cccc([O-])c1C(=O)N(C)[C@@H](C)Cc1ccc(O)cc1 ZINC000626178257 350277961 /nfs/dbraw/zinc/27/79/61/350277961.db2.gz MLINMFAPCZOWDH-ZDUSSCGKSA-N -1 3 299.370 3.109 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CC(C)(C)[C@H]1c1ccncc1 ZINC000627513974 350362953 /nfs/dbraw/zinc/36/29/53/350362953.db2.gz CJQWDIKXYXQRRH-MRXNPFEDSA-N -1 3 296.370 3.319 20 0 CGADHM Cc1cccc([O-])c1C(=O)N(CC1CCC1)C(C)C ZINC000626674978 350331124 /nfs/dbraw/zinc/33/11/24/350331124.db2.gz ZHWSWPNSMRBQAE-UHFFFAOYSA-N -1 3 261.365 3.351 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1C[C@@H](C)C(F)(F)[C@H](C)C1 ZINC000628404165 350528612 /nfs/dbraw/zinc/52/86/12/350528612.db2.gz WIXXCFXMDPPCHO-GHMZBOCLSA-N -1 3 283.318 3.064 20 0 CGADHM CC[C@H](C)c1cccc(NC(=O)Cc2cncc([O-])c2)c1 ZINC000628431136 350538322 /nfs/dbraw/zinc/53/83/22/350538322.db2.gz OQEXTXSRAWOQAB-LBPRGKRZSA-N -1 3 284.359 3.482 20 0 CGADHM Cc1cc(C(=O)N2C[C@@H](C)C(F)(F)[C@@H](C)C2)ccc1[O-] ZINC000628397309 350525816 /nfs/dbraw/zinc/52/58/16/350525816.db2.gz XYCHZUXQXDFUMJ-PHIMTYICSA-N -1 3 283.318 3.064 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2C[C@H](C)C(F)(F)[C@@H](C)C2)c1 ZINC000628397255 350525890 /nfs/dbraw/zinc/52/58/90/350525890.db2.gz XCQVDVPFNLTTRS-QWRGUYRKSA-N -1 3 297.345 3.318 20 0 CGADHM CC(C)=CCCN1CCC(c2ncc(C(=O)[O-])s2)CC1 ZINC000629371247 350680859 /nfs/dbraw/zinc/68/08/59/350680859.db2.gz NGEAOULQRKOOBI-UHFFFAOYSA-N -1 3 294.420 3.377 20 0 CGADHM C/C=C\C[C@@H]1CCCN(Cc2occc2C(=O)[O-])C1 ZINC000629375339 350683150 /nfs/dbraw/zinc/68/31/50/350683150.db2.gz DFRZSYAIJDWUNV-ZZKXABKFSA-N -1 3 263.337 3.156 20 0 CGADHM C/C=C/C[C@@H]1CCCN(Cc2cc(C(=O)[O-])oc2C)C1 ZINC000629376091 350683475 /nfs/dbraw/zinc/68/34/75/350683475.db2.gz RIPPBRZEVOHEJD-ITDFMYJTSA-N -1 3 277.364 3.464 20 0 CGADHM Cc1cccc(C(=O)N2CC(Cc3cccs3)C2)c1[O-] ZINC000629622383 350721637 /nfs/dbraw/zinc/72/16/37/350721637.db2.gz CTWLGYIYLYGFAH-UHFFFAOYSA-N -1 3 287.384 3.077 20 0 CGADHM C/C=C/C[C@H]1CCCN(C(=O)c2ccc3[nH][n-]c(=O)c3c2)C1 ZINC000629868913 350777637 /nfs/dbraw/zinc/77/76/37/350777637.db2.gz DDQFAUZREAEING-JDGPPOGSSA-N -1 3 299.374 3.087 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC000630010947 350797159 /nfs/dbraw/zinc/79/71/59/350797159.db2.gz CSEZXSOIVFQCKH-NWDGAFQWSA-N -1 3 289.404 3.067 20 0 CGADHM O=c1[n-]c(-c2coc(C3CCC3)n2)nc2cccc(F)c12 ZINC000630386141 350830961 /nfs/dbraw/zinc/83/09/61/350830961.db2.gz UKTXDCCJDUNJRH-UHFFFAOYSA-N -1 3 285.278 3.397 20 0 CGADHM Cc1ccc(NC(=O)C(C)(C)[C@H]2CCCCO2)c([O-])c1 ZINC000630439085 350840494 /nfs/dbraw/zinc/84/04/94/350840494.db2.gz MGYCBCWQVPINSX-CQSZACIVSA-N -1 3 277.364 3.234 20 0 CGADHM Cc1scc(CN[C@H](CC(=O)[O-])c2ccncc2)c1C ZINC000630461979 350843790 /nfs/dbraw/zinc/84/37/90/350843790.db2.gz HWCMTJNMQVAPRR-CQSZACIVSA-N -1 3 290.388 3.066 20 0 CGADHM CC1=CCC[C@H](C)[C@@H]1CN[C@@H](C)c1nc(C(=O)[O-])cs1 ZINC000630464753 350844873 /nfs/dbraw/zinc/84/48/73/350844873.db2.gz NNVZBBVQDGTRQC-SDDRHHMPSA-N -1 3 294.420 3.484 20 0 CGADHM O=C([O-])[C@@H]1CCC[C@@H]1NCc1cccc(Cl)c1Cl ZINC000630479155 350847320 /nfs/dbraw/zinc/84/73/20/350847320.db2.gz PWPKJILQJSLUED-KOLCDFICSA-N -1 3 288.174 3.336 20 0 CGADHM CC(C)(C(=O)Nc1cc(F)ccc1[O-])[C@H]1CCCCO1 ZINC000632139162 351171375 /nfs/dbraw/zinc/17/13/75/351171375.db2.gz NIANFEKDQSBXJJ-CYBMUJFWSA-N -1 3 281.327 3.065 20 0 CGADHM CC[C@H](CC(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1)C(C)(C)C ZINC000633602897 351330207 /nfs/dbraw/zinc/33/02/07/351330207.db2.gz PJPJLXCQMGAIED-YPMHNXCESA-N -1 3 293.411 3.084 20 0 CGADHM C[C@@H](C1CC1)N(C(=O)Cc1cncc([O-])c1)c1ccccc1 ZINC000633844767 351390351 /nfs/dbraw/zinc/39/03/51/351390351.db2.gz GEYAOYJWMDGATI-ZDUSSCGKSA-N -1 3 296.370 3.161 20 0 CGADHM C[C@H](CC1CCC1)NC(=O)c1cc([O-])ccc1Cl ZINC000634369564 351482491 /nfs/dbraw/zinc/48/24/91/351482491.db2.gz DBEUJCGJVLZUHJ-SECBINFHSA-N -1 3 267.756 3.354 20 0 CGADHM CCc1[n-]n(Cc2ccc(OC)cc2)c(=O)c1C(C)C ZINC000634597571 351534656 /nfs/dbraw/zinc/53/46/56/351534656.db2.gz NTXVOPLVNUJBNO-HNNXBMFYSA-N -1 3 274.364 3.076 20 0 CGADHM CCCc1nc(C)c(-c2nc(-c3ccc([O-])cc3)no2)o1 ZINC000291878160 198093690 /nfs/dbraw/zinc/09/36/90/198093690.db2.gz JEABGVBRENAFHV-UHFFFAOYSA-N -1 3 285.303 3.358 20 0 CGADHM CC[C@@H](C)CON=C([O-])Nc1ccc(F)c(F)c1F ZINC000291978372 198123552 /nfs/dbraw/zinc/12/35/52/198123552.db2.gz YMVSYGMCWCAKTK-SSDOTTSWSA-N -1 3 276.258 3.203 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)Nc1ccc(F)c(F)c1F ZINC000291978372 198123553 /nfs/dbraw/zinc/12/35/53/198123553.db2.gz YMVSYGMCWCAKTK-SSDOTTSWSA-N -1 3 276.258 3.203 20 0 CGADHM C[C@H]1CCN(C(=O)c2ccccc2[O-])CC12CCC2 ZINC000271458013 191148866 /nfs/dbraw/zinc/14/88/66/191148866.db2.gz ZUVHDILAVMFCHD-LBPRGKRZSA-N -1 3 259.349 3.045 20 0 CGADHM CCc1cc(C(=O)N[C@@H](C)Cc2ccc(O)cc2)ccc1[O-] ZINC000292036729 198141033 /nfs/dbraw/zinc/14/10/33/198141033.db2.gz DFMXJOXJNZAOLR-LBPRGKRZSA-N -1 3 299.370 3.021 20 0 CGADHM CCN(CC(C)(C)C)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000292134571 198177292 /nfs/dbraw/zinc/17/72/92/198177292.db2.gz QBJUTAZSXQAXJO-UHFFFAOYSA-N -1 3 286.375 3.449 20 0 CGADHM CC(C)CO[N-]C(=O)C[C@H](C)c1ccccc1F ZINC000153466700 188084352 /nfs/dbraw/zinc/08/43/52/188084352.db2.gz MNURAGMLEVVPAP-NSHDSACASA-N -1 3 253.317 3.023 20 0 CGADHM CCC[C@H]1CCCN(C(=O)c2ccc(OC)cc2[O-])C1 ZINC000155321944 188199276 /nfs/dbraw/zinc/19/92/76/188199276.db2.gz WICHRTBQWKWWEC-LBPRGKRZSA-N -1 3 277.364 3.053 20 0 CGADHM COc1cccc(C(=O)N2CCC[C@H]2CCC(C)C)c1[O-] ZINC000155615749 188216612 /nfs/dbraw/zinc/21/66/12/188216612.db2.gz YWKUOPDOJKZUBT-ZDUSSCGKSA-N -1 3 291.391 3.442 20 0 CGADHM CC(C)CC1(C(=O)NCc2ccc([O-])c(F)c2)CCC1 ZINC000156230644 188250650 /nfs/dbraw/zinc/25/06/50/188250650.db2.gz HWHZJNHKJBLLKG-UHFFFAOYSA-N -1 3 279.355 3.364 20 0 CGADHM COC1(C)CCN(C(=O)c2ccc(C(C)C)cc2[O-])CC1 ZINC000271681824 191274693 /nfs/dbraw/zinc/27/46/93/191274693.db2.gz CQTOSDVLZAPULV-UHFFFAOYSA-N -1 3 291.391 3.157 20 0 CGADHM O=C([N-]OCC1CC1)Nc1ccc2c3c(cccc31)CC2 ZINC000292666867 198368589 /nfs/dbraw/zinc/36/85/89/198368589.db2.gz OOWKEYOVFFAVAI-UHFFFAOYSA-N -1 3 282.343 3.402 20 0 CGADHM O=C(NCc1ccc([O-])c(F)c1)[C@H](c1ccccc1)C1CC1 ZINC000158657817 188388260 /nfs/dbraw/zinc/38/82/60/188388260.db2.gz QDIIDEJAYLCKOR-QGZVFWFLSA-N -1 3 299.345 3.341 20 0 CGADHM COc1cccc(C)c1NC(=O)c1ccc([O-])c(C)c1 ZINC000336424656 213283655 /nfs/dbraw/zinc/28/36/55/213283655.db2.gz YSSKJBSAKDDOLJ-UHFFFAOYSA-N -1 3 271.316 3.270 20 0 CGADHM CC(C)(C)c1ncc(/C=C/C(=O)[N-]OC2CCCC2)s1 ZINC000271740171 191300396 /nfs/dbraw/zinc/30/03/96/191300396.db2.gz IJIGZDROOVVMPR-CMDGGOBGSA-N -1 3 294.420 3.444 20 0 CGADHM Cc1c2cccc(C)c2oc1C(=O)NCc1ncccc1[O-] ZINC000352515338 219488139 /nfs/dbraw/zinc/48/81/39/219488139.db2.gz GCDRMCFILAWDGL-UHFFFAOYSA-N -1 3 296.326 3.080 20 0 CGADHM CCc1nc2cc(NC([O-])=NOC3CCCC3)ccc2o1 ZINC000271785639 191327043 /nfs/dbraw/zinc/32/70/43/191327043.db2.gz GSCQRAKYYBMPTK-UHFFFAOYSA-N -1 3 289.335 3.386 20 0 CGADHM CCc1nc2cc(NC(=O)[N-]OC3CCCC3)ccc2o1 ZINC000271785639 191327045 /nfs/dbraw/zinc/32/70/45/191327045.db2.gz GSCQRAKYYBMPTK-UHFFFAOYSA-N -1 3 289.335 3.386 20 0 CGADHM Cc1cc(F)cc(NC([O-])=NOC2CCCC2)c1 ZINC000271879065 191386873 /nfs/dbraw/zinc/38/68/73/191386873.db2.gz YRFKPBIBZVAHLY-UHFFFAOYSA-N -1 3 252.289 3.130 20 0 CGADHM Cc1cc(F)cc(NC(=O)[N-]OC2CCCC2)c1 ZINC000271879065 191386875 /nfs/dbraw/zinc/38/68/75/191386875.db2.gz YRFKPBIBZVAHLY-UHFFFAOYSA-N -1 3 252.289 3.130 20 0 CGADHM COCc1cccc(C=Cc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000414060957 235325747 /nfs/dbraw/zinc/32/57/47/235325747.db2.gz AJNZJGKAUBUTED-YVMONPNESA-N -1 3 282.343 3.376 20 0 CGADHM O=C([O-])CCN(Cc1ccccc1C(F)(F)F)C1CC1 ZINC000037594314 304052339 /nfs/dbraw/zinc/05/23/39/304052339.db2.gz DNOUKQQMUNWILB-UHFFFAOYSA-N -1 3 287.281 3.145 20 0 CGADHM CCN(CC)Cc1ccc(OC)c([O-])c1Br ZINC000273741477 192286712 /nfs/dbraw/zinc/28/67/12/192286712.db2.gz LYKYPEXTORHETH-UHFFFAOYSA-N -1 3 288.185 3.005 20 0 CGADHM Cc1cccc(-c2nc(CC3=CCCC3)no2)c1[O-] ZINC000273804131 192313834 /nfs/dbraw/zinc/31/38/34/192313834.db2.gz XSNUMMOQKKVMSB-UHFFFAOYSA-N -1 3 256.305 3.403 20 0 CGADHM O=C(Nc1ccc([O-])cc1F)[C@H]1CCCC(F)(F)C1 ZINC000336338872 213186184 /nfs/dbraw/zinc/18/61/84/213186184.db2.gz RLHLMTFLOYHNCC-QMMMGPOBSA-N -1 3 273.254 3.295 20 0 CGADHM CCc1cccc(C(=O)Nc2ccc(F)cc2OC)c1[O-] ZINC000537645708 288541658 /nfs/dbraw/zinc/54/16/58/288541658.db2.gz MSYZGQBNGYELDL-UHFFFAOYSA-N -1 3 289.306 3.355 20 0 CGADHM CSC[C@@H]1CCCN(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000294524278 199071737 /nfs/dbraw/zinc/07/17/37/199071737.db2.gz FKNXXQLRSSOETA-SNVBAGLBSA-N -1 3 299.823 3.261 20 0 CGADHM [O-]c1cc(F)cc(CN2CCOc3ccc(F)cc3C2)c1 ZINC000426506214 236299722 /nfs/dbraw/zinc/29/97/22/236299722.db2.gz CWOJJEMDZTUJNS-UHFFFAOYSA-N -1 3 291.297 3.065 20 0 CGADHM C[C@H]1CCN(C(=O)CCc2ccc3ccccc3c2[O-])C1 ZINC000294722563 199152375 /nfs/dbraw/zinc/15/23/75/199152375.db2.gz ZQNMYEFLBHKEGL-ZDUSSCGKSA-N -1 3 283.371 3.346 20 0 CGADHM COCC1(c2nc(-c3ccc([O-])c4ccccc34)no2)CC1 ZINC000436614014 237143545 /nfs/dbraw/zinc/14/35/45/237143545.db2.gz UDPLVSGGJFXUNW-UHFFFAOYSA-N -1 3 296.326 3.273 20 0 CGADHM Cc1ccc(OCCCNC(=O)c2cc(C)ccc2[O-])cc1 ZINC000436627597 237145487 /nfs/dbraw/zinc/14/54/87/237145487.db2.gz XGCNSDJNWFPGIP-UHFFFAOYSA-N -1 3 299.370 3.208 20 0 CGADHM Cc1ccc(NC(=O)c2cccc(C)c2[O-])c2n[nH]cc21 ZINC000436536848 237123496 /nfs/dbraw/zinc/12/34/96/237123496.db2.gz DAANEIIRPHYKRE-UHFFFAOYSA-N -1 3 281.315 3.138 20 0 CGADHM Cc1cccc(O[C@@H](C)CNC(=O)c2cccc(C)c2[O-])c1 ZINC000436565338 237132875 /nfs/dbraw/zinc/13/28/75/237132875.db2.gz IXYBVIMOTDFGSQ-AWEZNQCLSA-N -1 3 299.370 3.206 20 0 CGADHM Cc1ccc(C(=O)N[C@@H]2CCc3c2cccc3F)c([O-])c1 ZINC000436686452 237158214 /nfs/dbraw/zinc/15/82/14/237158214.db2.gz FOMAZPNYYNENPS-OAHLLOKOSA-N -1 3 285.318 3.257 20 0 CGADHM Cc1ccccc1C(C)(C)CNC(=O)c1ccc(O)cc1[O-] ZINC000436672028 237159588 /nfs/dbraw/zinc/15/95/88/237159588.db2.gz XSQZHDAKGZCWMB-UHFFFAOYSA-N -1 3 299.370 3.114 20 0 CGADHM Cc1cc(C(=O)N2Cc3ccccc3OC[C@H]2C)ccc1[O-] ZINC000436745030 237170352 /nfs/dbraw/zinc/17/03/52/237170352.db2.gz ACPRGJREOGDASH-CYBMUJFWSA-N -1 3 297.354 3.124 20 0 CGADHM Cc1ccc(C(C)(C)CNC(=O)c2ccccc2[O-])cc1 ZINC000436775718 237179937 /nfs/dbraw/zinc/17/99/37/237179937.db2.gz XSJCCONSFOFBLT-UHFFFAOYSA-N -1 3 283.371 3.408 20 0 CGADHM C[C@H]1C[C@@H](C(C)(C)C)CCN1C(=O)c1ccc(O)cc1[O-] ZINC000436844840 237194756 /nfs/dbraw/zinc/19/47/56/237194756.db2.gz HKBKNUUJRSWFMA-RYUDHWBXSA-N -1 3 291.391 3.385 20 0 CGADHM Cc1cc(C(=O)N[C@@H](C)c2ccc(F)cc2F)ccc1[O-] ZINC000436901185 237204572 /nfs/dbraw/zinc/20/45/72/237204572.db2.gz FZCHEFLFBXDOTJ-JTQLQIEISA-N -1 3 291.297 3.470 20 0 CGADHM Cc1cc(C(=O)NCc2ccc(C)c(F)c2)ccc1[O-] ZINC000436902827 237206611 /nfs/dbraw/zinc/20/66/11/237206611.db2.gz RFPYPYZVFDZBAT-UHFFFAOYSA-N -1 3 273.307 3.078 20 0 CGADHM CC(C)ON=C([O-])Nc1cccc(C(C)(F)F)c1 ZINC000297840688 200290053 /nfs/dbraw/zinc/29/00/53/200290053.db2.gz NXVNKIIBUDGHAD-UHFFFAOYSA-N -1 3 258.268 3.260 20 0 CGADHM CC(C)O[N-]C(=O)Nc1cccc(C(C)(F)F)c1 ZINC000297840688 200290054 /nfs/dbraw/zinc/29/00/54/200290054.db2.gz NXVNKIIBUDGHAD-UHFFFAOYSA-N -1 3 258.268 3.260 20 0 CGADHM Cc1ccc([O-])c(C(=O)N([C@H](C)C2CC2)C2CC2)c1 ZINC000298279320 200382240 /nfs/dbraw/zinc/38/22/40/200382240.db2.gz BDLPXQPLYPDCSX-LLVKDONJSA-N -1 3 259.349 3.104 20 0 CGADHM Cc1ccc2[n-]cc(C(=O)N3CCC[C@@H](C)[C@H]3C)c(=O)c2c1 ZINC000341916012 216149505 /nfs/dbraw/zinc/14/95/05/216149505.db2.gz JAGPWHAANFHDON-CHWSQXEVSA-N -1 3 298.386 3.097 20 0 CGADHM CCc1cc(C(=O)N(C)Cc2ccccc2F)ccc1[O-] ZINC000341934187 216156877 /nfs/dbraw/zinc/15/68/77/216156877.db2.gz WDLZCERYHWWFCF-UHFFFAOYSA-N -1 3 287.334 3.366 20 0 CGADHM O=C(C[C@H]1CCCc2ccccc21)Nc1ncccc1[O-] ZINC000342053011 216201706 /nfs/dbraw/zinc/20/17/06/216201706.db2.gz HIERUKYIGMYVNU-CYBMUJFWSA-N -1 3 282.343 3.236 20 0 CGADHM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)[N-]OCc1ccccc1 ZINC000178556843 189126477 /nfs/dbraw/zinc/12/64/77/189126477.db2.gz KMLUGWNHUNDLJB-KGLIPLIRSA-N -1 3 287.384 3.408 20 0 CGADHM COC[C@H]([N-]c1nc2ccccc2o1)c1ccco1 ZINC000301527406 201047735 /nfs/dbraw/zinc/04/77/35/201047735.db2.gz GLGCCACDLXUYLK-NSHDSACASA-N -1 3 258.277 3.220 20 0 CGADHM COC[C@@H]([N-]c1nc2ccccc2o1)c1ccco1 ZINC000301527405 201048746 /nfs/dbraw/zinc/04/87/46/201048746.db2.gz GLGCCACDLXUYLK-LLVKDONJSA-N -1 3 258.277 3.220 20 0 CGADHM CN(C(=O)c1cccc([O-])c1)[C@H]1CCc2ccccc2C1 ZINC000182448149 189323873 /nfs/dbraw/zinc/32/38/73/189323873.db2.gz NYSIHWNBADSCFL-INIZCTEOSA-N -1 3 281.355 3.022 20 0 CGADHM Cc1csc([C@@H](NC(=O)c2cccc([O-])c2)C2CC2)n1 ZINC000182507541 189326242 /nfs/dbraw/zinc/32/62/42/189326242.db2.gz YGVYYKYFXJEWIS-ZDUSSCGKSA-N -1 3 288.372 3.038 20 0 CGADHM CCO[N-]C(=O)Nc1ccc(C)c(-c2nc(C)co2)c1 ZINC000183019975 189343105 /nfs/dbraw/zinc/34/31/05/189343105.db2.gz AOJPKANRYXEDKC-UHFFFAOYSA-N -1 3 275.308 3.031 20 0 CGADHM Cc1noc(C)c1[C@@H](C)CC(=O)Nc1c(C)cccc1[O-] ZINC000183029108 189343594 /nfs/dbraw/zinc/34/35/94/189343594.db2.gz XISAWBXABSMEIM-JTQLQIEISA-N -1 3 288.347 3.438 20 0 CGADHM CCC[C@@H]1C[C@@H](C(=O)Nc2ccc(C)cc2[O-])CCO1 ZINC000183400186 189358365 /nfs/dbraw/zinc/35/83/65/189358365.db2.gz KHUAEEVEVNYFPV-QWHCGFSZSA-N -1 3 277.364 3.234 20 0 CGADHM CSc1cccc(NC(=O)c2cc([O-])ccc2Cl)n1 ZINC000335676052 212396053 /nfs/dbraw/zinc/39/60/53/212396053.db2.gz FMQKUWPEXJLNBF-UHFFFAOYSA-N -1 3 294.763 3.415 20 0 CGADHM Cc1csc(S(=O)(=O)[N-]C[C@H](C)c2ccccc2)c1 ZINC000450984580 240182217 /nfs/dbraw/zinc/18/22/17/240182217.db2.gz FFKDAKDJOOQZKR-LBPRGKRZSA-N -1 3 295.429 3.139 20 0 CGADHM CC1(C)CC=C(C(=O)Nc2nnc(-c3ccco3)[n-]2)CC1 ZINC000455408904 241254756 /nfs/dbraw/zinc/25/47/56/241254756.db2.gz KSHJENKLYOTDDX-UHFFFAOYSA-N -1 3 286.335 3.140 20 0 CGADHM CC1(C)CC=C(C(=O)Nc2nc(-c3ccco3)n[n-]2)CC1 ZINC000455408904 241254761 /nfs/dbraw/zinc/25/47/61/241254761.db2.gz KSHJENKLYOTDDX-UHFFFAOYSA-N -1 3 286.335 3.140 20 0 CGADHM CC1(C)CC=C(C(=O)Nc2n[n-]c(-c3ccco3)n2)CC1 ZINC000455408904 241254768 /nfs/dbraw/zinc/25/47/68/241254768.db2.gz KSHJENKLYOTDDX-UHFFFAOYSA-N -1 3 286.335 3.140 20 0 CGADHM Cc1ccc(C(=O)N2C[C@@H](C3CC3)[C@H]2C2CC2)c([O-])c1C ZINC000456306982 241399222 /nfs/dbraw/zinc/39/92/22/241399222.db2.gz UFRBNIWHODLXDD-JKSUJKDBSA-N -1 3 285.387 3.270 20 0 CGADHM O=c1cc(CN2CCC[C@H]2c2ccccc2)nc(C2CC2)[n-]1 ZINC000459285708 242052421 /nfs/dbraw/zinc/05/24/21/242052421.db2.gz VQAIALZRYIOXJD-INIZCTEOSA-N -1 3 295.386 3.397 20 0 CGADHM CCOc1cc(CN(CCOC)C2CC2)cc(Cl)c1[O-] ZINC000459300593 242061444 /nfs/dbraw/zinc/06/14/44/242061444.db2.gz LWGCUJVSZUQXNR-UHFFFAOYSA-N -1 3 299.798 3.055 20 0 CGADHM O=C(N[C@@H]1CCC[C@@H](F)C1)c1cc([O-])ccc1Cl ZINC000335524040 212213737 /nfs/dbraw/zinc/21/37/37/212213737.db2.gz YCUMHDFXCWPMAG-RKDXNWHRSA-N -1 3 271.719 3.056 20 0 CGADHM CCc1[n-][nH]c(=NC(=O)[C@@H](CC(C)C)c2ccccc2)c1C ZINC000477197852 243037265 /nfs/dbraw/zinc/03/72/65/243037265.db2.gz XHQVWTKIFOSUQC-HNNXBMFYSA-N -1 3 299.418 3.471 20 0 CGADHM CC(C)[C@@H]1N(C(=O)Cc2ccc([O-])cc2Cl)CC1(C)C ZINC000480521476 243151991 /nfs/dbraw/zinc/15/19/91/243151991.db2.gz SYPJTDMTSJDXFU-HNNXBMFYSA-N -1 3 295.810 3.481 20 0 CGADHM COc1ccc([O-])c(-c2nc(-c3ccccc3C)no2)c1 ZINC000003240343 368497366 /nfs/dbraw/zinc/49/73/66/368497366.db2.gz SHXUWICMZVLMKD-UHFFFAOYSA-N -1 3 282.299 3.426 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2cc(F)cc(Cl)c2)n1 ZINC000486127411 243353403 /nfs/dbraw/zinc/35/34/03/243353403.db2.gz RAQPLIMKVVGMQE-NSCUHMNNSA-N -1 3 264.687 3.454 20 0 CGADHM Cc1ccc(/C=C/C(=O)Nc2ccc(C)cc2[O-])o1 ZINC000015923016 368705018 /nfs/dbraw/zinc/70/50/18/368705018.db2.gz LJAMWMQISMDRHR-SOFGYWHQSA-N -1 3 257.289 3.254 20 0 CGADHM CCc1cccc(NC(=O)c2cccc(OC)c2[O-])c1 ZINC000019840227 368772240 /nfs/dbraw/zinc/77/22/40/368772240.db2.gz AIUSQWRRPLWNCY-UHFFFAOYSA-N -1 3 271.316 3.216 20 0 CGADHM Cc1ccc(C(=O)NCCc2ccc(Cl)cc2)c([O-])c1 ZINC000028644334 368887876 /nfs/dbraw/zinc/88/78/76/368887876.db2.gz GAUGBIQWVBKCHJ-UHFFFAOYSA-N -1 3 289.762 3.327 20 0 CGADHM CC(=O)c1ccc(NC(=O)c2cc(-c3ccco3)[n-]n2)cc1 ZINC000032448974 368930970 /nfs/dbraw/zinc/93/09/70/368930970.db2.gz GASWWNWKNVINHD-UHFFFAOYSA-N -1 3 295.298 3.125 20 0 CGADHM CC(=O)c1ccc(NC(=O)c2cc(-c3ccco3)n[n-]2)cc1 ZINC000032448974 368930975 /nfs/dbraw/zinc/93/09/75/368930975.db2.gz GASWWNWKNVINHD-UHFFFAOYSA-N -1 3 295.298 3.125 20 0 CGADHM O=C(/C=C/c1ccsc1)[N-]OC1CCCCC1 ZINC000492717036 244012019 /nfs/dbraw/zinc/01/20/19/244012019.db2.gz GLPVWKKZHVNKPU-VOTSOKGWSA-N -1 3 251.351 3.142 20 0 CGADHM O=C(/C=C/c1ccc(C2CC2)cc1)[N-]O[C@H]1CCCCO1 ZINC000493063841 244088866 /nfs/dbraw/zinc/08/88/66/244088866.db2.gz MULKWOCXXOTAPC-CEUCYRDJSA-N -1 3 287.359 3.152 20 0 CGADHM O=C([O-])[C@@H](NCc1cccs1)c1ccc(Cl)c(F)c1 ZINC000043391176 369251623 /nfs/dbraw/zinc/25/16/23/369251623.db2.gz BOBXIDZQSXUOEI-LBPRGKRZSA-N -1 3 299.754 3.456 20 0 CGADHM COc1cccc(C(=O)N2CCC[C@@H]2C2CCCC2)c1[O-] ZINC000044352573 369259407 /nfs/dbraw/zinc/25/94/07/369259407.db2.gz VYRTTWAYILPRIB-CQSZACIVSA-N -1 3 289.375 3.196 20 0 CGADHM Cc1ccc(C(=O)N2CCc3sccc3C2)c([O-])c1C ZINC000048545424 369358323 /nfs/dbraw/zinc/35/83/23/369358323.db2.gz PEWAFADCHOGSEO-UHFFFAOYSA-N -1 3 287.384 3.269 20 0 CGADHM Cc1ccc(-c2noc([N-]Cc3ccco3)n2)cc1 ZINC000057354051 369536521 /nfs/dbraw/zinc/53/65/21/369536521.db2.gz BOLCDDSTEFYVLW-UHFFFAOYSA-N -1 3 255.277 3.250 20 0 CGADHM CC[C@H]1CCCC[C@H]1NC(=O)c1ccc([O-])c(OC)c1 ZINC000276238228 193252513 /nfs/dbraw/zinc/25/25/13/193252513.db2.gz UFLUILRNQSFWFK-WCQYABFASA-N -1 3 277.364 3.099 20 0 CGADHM CCCc1nnc([N-]C(=O)c2sc(C)cc2OC)s1 ZINC000072646869 369833850 /nfs/dbraw/zinc/83/38/50/369833850.db2.gz JHLUFZOUBVFGIA-UHFFFAOYSA-N -1 3 297.405 3.121 20 0 CGADHM O=C([N-]c1ccc(F)cc1F)c1ncoc1[C@@H]1CCCO1 ZINC000114998369 370516468 /nfs/dbraw/zinc/51/64/68/370516468.db2.gz CQTLPSGWIBEOQR-NSHDSACASA-N -1 3 294.257 3.057 20 0 CGADHM [O-]c1ccc(Cc2nc(-c3ccccn3)no2)c(Cl)c1 ZINC000131901677 371138435 /nfs/dbraw/zinc/13/84/35/371138435.db2.gz DHLWNKIGRPYVCC-UHFFFAOYSA-N -1 3 287.706 3.081 20 0 CGADHM O=C(Cc1ccccc1Cl)NCc1ccc([O-])c(F)c1 ZINC000133010682 371218723 /nfs/dbraw/zinc/21/87/23/371218723.db2.gz PSUZIZAHBYBPKI-UHFFFAOYSA-N -1 3 293.725 3.044 20 0 CGADHM COc1ccc(C(=O)N2C[C@@H](C)CCC[C@@H]2C)c([O-])c1 ZINC000134196092 371310529 /nfs/dbraw/zinc/31/05/29/371310529.db2.gz BXCINVJDELMVTH-RYUDHWBXSA-N -1 3 277.364 3.052 20 0 CGADHM O=C(CCOc1ccccc1Cl)[N-]OC1CCCC1 ZINC000135142623 371394466 /nfs/dbraw/zinc/39/44/66/371394466.db2.gz GQLZFLSVGYYPAN-UHFFFAOYSA-N -1 3 283.755 3.099 20 0 CGADHM CC[C@H]1CCCCN1C(=O)Cc1ccc([O-])cc1Cl ZINC000136118849 371461207 /nfs/dbraw/zinc/46/12/07/371461207.db2.gz OVJKJDBMKCNQHK-LBPRGKRZSA-N -1 3 281.783 3.379 20 0 CGADHM CCOCCC1(CNC(=O)c2cc(C)ccc2[O-])CCC1 ZINC000150984286 371555610 /nfs/dbraw/zinc/55/56/10/371555610.db2.gz PNZSSIVEBOGXFQ-UHFFFAOYSA-N -1 3 291.391 3.027 20 0 CGADHM Cc1noc(C)c1[C@@H](C)CC(=O)Nc1cc(F)ccc1[O-] ZINC000152113823 371674554 /nfs/dbraw/zinc/67/45/54/371674554.db2.gz XEESNPNALCFSRE-QMMMGPOBSA-N -1 3 292.310 3.268 20 0 CGADHM C[C@H]1CCN(C(=O)Cc2ccc([O-])cc2Cl)C[C@H]1C ZINC000153757051 371785469 /nfs/dbraw/zinc/78/54/69/371785469.db2.gz LNNPVUGVFNBXDQ-WDEREUQCSA-N -1 3 281.783 3.093 20 0 CGADHM [O-]c1cc(CNCc2nccs2)cc(C(F)(F)F)c1 ZINC000289795149 371824569 /nfs/dbraw/zinc/82/45/69/371824569.db2.gz HVZJZJPPZCVTMA-UHFFFAOYSA-N -1 3 288.294 3.157 20 0 CGADHM COc1c(C)ccc(NC([O-])=NOC/C=C/Cl)c1C ZINC000289954187 371861828 /nfs/dbraw/zinc/86/18/28/371861828.db2.gz VBFLOLLKAZFJBE-QPJJXVBHSA-N -1 3 284.743 3.118 20 0 CGADHM COc1c(C)ccc(NC(=O)[N-]OC/C=C/Cl)c1C ZINC000289954187 371861832 /nfs/dbraw/zinc/86/18/32/371861832.db2.gz VBFLOLLKAZFJBE-QPJJXVBHSA-N -1 3 284.743 3.118 20 0 CGADHM C[C@@H]1C[C@@H]1c1cc(NC(=O)c2cc([O-])ccc2Cl)n[nH]1 ZINC000290309702 371960445 /nfs/dbraw/zinc/96/04/45/371960445.db2.gz FTNOSYQTIDOWMZ-APPZFPTMSA-N -1 3 291.738 3.144 20 0 CGADHM Cc1ccc(NC(=O)[C@@H](c2ccncc2)C(C)C)c([O-])c1 ZINC000344154878 217076924 /nfs/dbraw/zinc/07/69/24/217076924.db2.gz HYQAKOAKZWILCC-MRXNPFEDSA-N -1 3 284.359 3.474 20 0 CGADHM CCCS(=O)(=O)[N-]c1c(F)cccc1SCC ZINC000291034189 372099709 /nfs/dbraw/zinc/09/97/09/372099709.db2.gz ZDWDHHWZHHGPAK-UHFFFAOYSA-N -1 3 277.386 3.089 20 0 CGADHM CCC(O)(CC)CCNCc1cccc([O-])c1Cl ZINC000293141484 372310689 /nfs/dbraw/zinc/31/06/89/372310689.db2.gz CXPKSONEDANBEF-UHFFFAOYSA-N -1 3 271.788 3.076 20 0 CGADHM CC1(C)SC[C@H]1NCc1cccc([O-])c1Cl ZINC000293315813 372352236 /nfs/dbraw/zinc/35/22/36/372352236.db2.gz QOYUDRISHVAXNY-SNVBAGLBSA-N -1 3 257.786 3.029 20 0 CGADHM CO[C@H]1CCCC[C@@H]1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000293425032 372380124 /nfs/dbraw/zinc/38/01/24/372380124.db2.gz QHUZHTRVWCUJRE-GWCFXTLKSA-N -1 3 283.755 3.189 20 0 CGADHM CCc1onc(C)c1[N-]C(=O)c1csc(C(C)=O)c1 ZINC000293422547 372380203 /nfs/dbraw/zinc/38/02/03/372380203.db2.gz LDCDVLCQFVZMJE-UHFFFAOYSA-N -1 3 278.333 3.062 20 0 CGADHM C[C@@H](COCC(F)(F)F)NCc1cccc([O-])c1Cl ZINC000293431748 372381234 /nfs/dbraw/zinc/38/12/34/372381234.db2.gz BGFRPQJLYLRDIF-QMMMGPOBSA-N -1 3 297.704 3.103 20 0 CGADHM [O-]c1ccc(-c2noc([C@H]3CCCO3)n2)c2ccccc12 ZINC000293463242 372388523 /nfs/dbraw/zinc/38/85/23/372388523.db2.gz QZWJAUSPHIMBEV-CQSZACIVSA-N -1 3 282.299 3.447 20 0 CGADHM [O-]c1ccc(-c2noc(C3CCOCC3)n2)c2ccccc12 ZINC000293481727 372391832 /nfs/dbraw/zinc/39/18/32/372391832.db2.gz SYPIQUDSNNSMOJ-UHFFFAOYSA-N -1 3 296.326 3.489 20 0 CGADHM CCOCCc1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000293497721 372395351 /nfs/dbraw/zinc/39/53/51/372395351.db2.gz VRRUEDOAZCUQBC-UHFFFAOYSA-N -1 3 284.315 3.174 20 0 CGADHM [O-]c1cccc(CN[C@H]2CCCSC2)c1Cl ZINC000293513881 372399981 /nfs/dbraw/zinc/39/99/81/372399981.db2.gz IGZUPGQBHXFGDI-JTQLQIEISA-N -1 3 257.786 3.031 20 0 CGADHM Cc1cc(C(=O)N2CC(C)(C)[C@H]2c2ccncc2)ccc1[O-] ZINC000293770764 372474931 /nfs/dbraw/zinc/47/49/31/372474931.db2.gz DJLBOEJCCPKNPG-MRXNPFEDSA-N -1 3 296.370 3.319 20 0 CGADHM CC(C)N(Cc1cccc([O-])c1Cl)[C@@H]1CCOC1 ZINC000293952099 372534852 /nfs/dbraw/zinc/53/48/52/372534852.db2.gz PENYVJXDXOHISK-GFCCVEGCSA-N -1 3 269.772 3.045 20 0 CGADHM C[C@@H]1CN(Cc2c(F)ccc([O-])c2F)CCC1(F)F ZINC000293964557 372538512 /nfs/dbraw/zinc/53/85/12/372538512.db2.gz QBLJMWNPAAULSU-MRVPVSSYSA-N -1 3 277.261 3.148 20 0 CGADHM [O-]c1cccc(CNCC[C@H](O)c2ccccc2)c1Cl ZINC000293924711 372526947 /nfs/dbraw/zinc/52/69/47/372526947.db2.gz MYFHBFLVJYKEJA-AWEZNQCLSA-N -1 3 291.778 3.259 20 0 CGADHM CC(C)CNC(=O)CCc1ccc2ccccc2c1[O-] ZINC000294305274 372643960 /nfs/dbraw/zinc/64/39/60/372643960.db2.gz IVPAPHDICPHHLN-UHFFFAOYSA-N -1 3 271.360 3.250 20 0 CGADHM Cc1cccc([O-])c1NC(=O)c1coc2c1C(=O)CCC2 ZINC000294975251 372681918 /nfs/dbraw/zinc/68/19/18/372681918.db2.gz OVZRADQMCYUAGO-UHFFFAOYSA-N -1 3 285.299 3.065 20 0 CGADHM CC[C@@H]1C[C@H]1NC(=O)CCc1ccc2ccccc2c1[O-] ZINC000295216988 372705241 /nfs/dbraw/zinc/70/52/41/372705241.db2.gz XJYUPDJEUAFQPC-MLGOLLRUSA-N -1 3 283.371 3.393 20 0 CGADHM [O-]c1cccc(CN2CCC(n3ccnc3)CC2)c1Cl ZINC000295228473 372709270 /nfs/dbraw/zinc/70/92/70/372709270.db2.gz CPCXUKRIIXUFAC-UHFFFAOYSA-N -1 3 291.782 3.079 20 0 CGADHM Cc1cnccc1[N-]S(=O)(=O)c1ccc(C2CC2)cc1 ZINC000295313166 372735017 /nfs/dbraw/zinc/73/50/17/372735017.db2.gz NIYMYBUGRIRJQA-UHFFFAOYSA-N -1 3 288.372 3.068 20 0 CGADHM Cc1ccc(F)cc1C(=O)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000435673670 372792977 /nfs/dbraw/zinc/79/29/77/372792977.db2.gz CXBMADOLHFUEML-UHFFFAOYSA-N -1 3 295.317 3.198 20 0 CGADHM CCC1(C(=O)N=c2cc(-c3ccccc3)[n-][nH]2)CCC1 ZINC000435673139 372793445 /nfs/dbraw/zinc/79/34/45/372793445.db2.gz APYAZASZZZLBHI-UHFFFAOYSA-N -1 3 269.348 3.017 20 0 CGADHM CCc1occc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000435758446 372804005 /nfs/dbraw/zinc/80/40/05/372804005.db2.gz DRCMLBJSSGUGLS-UHFFFAOYSA-N -1 3 265.696 3.453 20 0 CGADHM CC(C)O[N-]C(=O)CCCCc1nc2ccccc2s1 ZINC000295775155 372907518 /nfs/dbraw/zinc/90/75/18/372907518.db2.gz XHJJBUKKEIJSRR-UHFFFAOYSA-N -1 3 292.404 3.465 20 0 CGADHM Cc1ccc(C(=O)N2CC3(CC3)c3ccccc32)c([O-])c1 ZINC000172431819 372963490 /nfs/dbraw/zinc/96/34/90/372963490.db2.gz VCHQINMCOLTCOB-UHFFFAOYSA-N -1 3 279.339 3.393 20 0 CGADHM CC1CCN(C(=O)CCCc2ccc([O-])c(F)c2)CC1 ZINC000344775370 217307232 /nfs/dbraw/zinc/30/72/32/217307232.db2.gz WPFOIFCSEUMURH-UHFFFAOYSA-N -1 3 279.355 3.113 20 0 CGADHM CC(C)COc1ccccc1NC([O-])=NOC(C)C ZINC000296370355 373109993 /nfs/dbraw/zinc/10/99/93/373109993.db2.gz JVAMULZJISBXLQ-UHFFFAOYSA-N -1 3 266.341 3.183 20 0 CGADHM CC(C)COc1ccccc1NC(=O)[N-]OC(C)C ZINC000296370355 373109996 /nfs/dbraw/zinc/10/99/96/373109996.db2.gz JVAMULZJISBXLQ-UHFFFAOYSA-N -1 3 266.341 3.183 20 0 CGADHM COc1cc(C(=O)N[C@@H](C)c2ccc(C)cc2)ccc1[O-] ZINC000442863087 373110007 /nfs/dbraw/zinc/11/00/07/373110007.db2.gz CBOGUYZHTMBKOQ-LBPRGKRZSA-N -1 3 285.343 3.200 20 0 CGADHM COc1cc(C(=O)N[C@H](C)CCC(C)(C)C)ccc1[O-] ZINC000442982884 373137426 /nfs/dbraw/zinc/13/74/26/373137426.db2.gz YWTUQBAEPUTKRO-LLVKDONJSA-N -1 3 279.380 3.345 20 0 CGADHM Cc1cc(C(=O)NCCc2ccc3[nH]ccc3c2)ccc1[O-] ZINC000442993769 373137995 /nfs/dbraw/zinc/13/79/95/373137995.db2.gz PPYDHRXJKTWWKH-UHFFFAOYSA-N -1 3 294.354 3.154 20 0 CGADHM C[C@@H](CC1CCCCC1)NC(=O)c1ccc2n[n-]nc2c1 ZINC000446726801 373347826 /nfs/dbraw/zinc/34/78/26/373347826.db2.gz RDDVPOPWSWUUSD-NSHDSACASA-N -1 3 286.379 3.047 20 0 CGADHM Cn1c(=O)[n-]nc1SCc1cccc(Cl)c1Cl ZINC000447701510 373474629 /nfs/dbraw/zinc/47/46/29/373474629.db2.gz SFHGSKKCUXROOD-UHFFFAOYSA-N -1 3 290.175 3.120 20 0 CGADHM CCc1cc(=O)[n-]c(CN(C)[C@@H](C)Cc2ccccc2C)n1 ZINC000447407202 373435757 /nfs/dbraw/zinc/43/57/57/373435757.db2.gz ZORQSQBAHSYEGZ-AWEZNQCLSA-N -1 3 299.418 3.116 20 0 CGADHM Cc1cc(C)c(C(=O)N=c2cc(-c3cccc(F)c3)o[n-]2)[nH]1 ZINC000448537575 373581053 /nfs/dbraw/zinc/58/10/53/373581053.db2.gz JEWOXNALEMJEOL-UHFFFAOYSA-N -1 3 299.305 3.100 20 0 CGADHM C[C@@H]1CCCN(Cc2cc(Cl)ccc2F)[C@H]1C(=O)[O-] ZINC000300274415 373623645 /nfs/dbraw/zinc/62/36/45/373623645.db2.gz SNPBVDUHMGSCCH-NOZJJQNGSA-N -1 3 285.746 3.164 20 0 CGADHM CC[C@@H](C)C(=O)Nc1cc(Br)ccc1[O-] ZINC000176440082 373597740 /nfs/dbraw/zinc/59/77/40/373597740.db2.gz HIFUOYJWCLBHGO-SSDOTTSWSA-N -1 3 272.142 3.139 20 0 CGADHM CCc1cc(=O)[n-]c(CSCc2ccccc2F)n1 ZINC000177972183 373730269 /nfs/dbraw/zinc/73/02/69/373730269.db2.gz XVFLBHWPTVEARX-UHFFFAOYSA-N -1 3 278.352 3.317 20 0 CGADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCCC[C@@H]3C)nc2)n1 ZINC000301562448 373785558 /nfs/dbraw/zinc/78/55/58/373785558.db2.gz USAKUHHWLDPOQW-LBPRGKRZSA-N -1 3 298.390 3.185 20 0 CGADHM CC(C)c1noc([N-]Cc2ccc(Br)o2)n1 ZINC000302492526 373880015 /nfs/dbraw/zinc/88/00/15/373880015.db2.gz KPFLMVCNFVVFAH-UHFFFAOYSA-N -1 3 286.129 3.161 20 0 CGADHM Cc1cccc(C(=O)N[C@@H](C)Cc2ccccc2F)c1[O-] ZINC000302959531 374007315 /nfs/dbraw/zinc/00/73/15/374007315.db2.gz GGRGXXIPDDALOU-LBPRGKRZSA-N -1 3 287.334 3.201 20 0 CGADHM O=c1[n-]c(Sc2ccccc2F)nc2cc(F)ccc21 ZINC000181366385 374114594 /nfs/dbraw/zinc/11/45/94/374114594.db2.gz XCGUYIPPFCBRKK-UHFFFAOYSA-N -1 3 290.294 3.353 20 0 CGADHM CCc1ccnc(C(=O)Nc2cc(Cl)ccc2[O-])c1 ZINC000181693221 374155673 /nfs/dbraw/zinc/15/56/73/374155673.db2.gz FLWFIKYQRZLEPO-UHFFFAOYSA-N -1 3 276.723 3.255 20 0 CGADHM C[C@@H](CC(=O)Nc1nnc(-c2ccco2)[n-]1)c1ccccc1 ZINC000073972947 541902212 /nfs/dbraw/zinc/90/22/12/541902212.db2.gz ALPQZZBNGQOIRF-NSHDSACASA-N -1 3 296.330 3.197 20 0 CGADHM C[C@@H](CC(=O)Nc1nc(-c2ccco2)n[n-]1)c1ccccc1 ZINC000073972947 541902216 /nfs/dbraw/zinc/90/22/16/541902216.db2.gz ALPQZZBNGQOIRF-NSHDSACASA-N -1 3 296.330 3.197 20 0 CGADHM C[C@@H](CC(=O)Nc1n[n-]c(-c2ccco2)n1)c1ccccc1 ZINC000073972947 541902221 /nfs/dbraw/zinc/90/22/21/541902221.db2.gz ALPQZZBNGQOIRF-NSHDSACASA-N -1 3 296.330 3.197 20 0 CGADHM O=C([O-])[C@H]1C=C[C@@H](NCc2ccc(Cl)cc2Cl)C1 ZINC000310859150 374228020 /nfs/dbraw/zinc/22/80/20/374228020.db2.gz NOYDYKFMZYQMBZ-GZMMTYOYSA-N -1 3 286.158 3.112 20 0 CGADHM C[C@@H]1CN(C(=O)c2cccc([O-])c2)[C@H]1c1ccccc1 ZINC000182527078 374285209 /nfs/dbraw/zinc/28/52/09/374285209.db2.gz LJNCSPMNHBOWQQ-MLGOLLRUSA-N -1 3 267.328 3.225 20 0 CGADHM Cc1cccc(C(=O)N2C[C@@H](C)C[C@@H]2c2cccnc2)c1[O-] ZINC000182790936 374328235 /nfs/dbraw/zinc/32/82/35/374328235.db2.gz KWPKDEALGKCHIZ-BLLLJJGKSA-N -1 3 296.370 3.319 20 0 CGADHM CCc1cc(C)c(C(=O)N2CCCc3cccc([O-])c32)o1 ZINC000182908487 374341230 /nfs/dbraw/zinc/34/12/30/374341230.db2.gz RNKXRAILNPLEQU-UHFFFAOYSA-N -1 3 285.343 3.449 20 0 CGADHM CCO[N-]C(=O)Nc1ccccc1OC1CCCC1 ZINC000182937205 374346923 /nfs/dbraw/zinc/34/69/23/374346923.db2.gz PNAFTBXLQYXWFU-UHFFFAOYSA-N -1 3 264.325 3.081 20 0 CGADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CC[C@H](F)C1 ZINC000452369374 374348636 /nfs/dbraw/zinc/34/86/36/374348636.db2.gz GEELDUPABBESRC-HNNXBMFYSA-N -1 3 299.345 3.167 20 0 CGADHM O=C(Nc1ccccc1[O-])c1ccoc1C(F)(F)F ZINC000334146188 206078563 /nfs/dbraw/zinc/07/85/63/206078563.db2.gz BPUHSANMEKVXLE-UHFFFAOYSA-N -1 3 271.194 3.256 20 0 CGADHM C[C@@H](c1ccc(F)c(F)c1)N1CCC(C)(C(=O)[O-])CC1 ZINC000086776501 541941199 /nfs/dbraw/zinc/94/11/99/541941199.db2.gz IEYITWLWLBMNHQ-JTQLQIEISA-N -1 3 283.318 3.213 20 0 CGADHM Cc1cc(NC[C@H](C(=O)[O-])C(C)C)c2ccccc2n1 ZINC000087507864 541943367 /nfs/dbraw/zinc/94/33/67/541943367.db2.gz CJIALXXPTNTUHD-ZDUSSCGKSA-N -1 3 272.348 3.312 20 0 CGADHM CC[C@@H](OC1CCCC1)C(=O)Nc1ccc(C)cc1[O-] ZINC000330484622 374472017 /nfs/dbraw/zinc/47/20/17/374472017.db2.gz YUWKUDFTJLCSDR-OAHLLOKOSA-N -1 3 277.364 3.377 20 0 CGADHM CC[C@H](c1ccc(F)cc1)S(=O)(=O)c1cccc([O-])c1 ZINC000183975308 374478581 /nfs/dbraw/zinc/47/85/81/374478581.db2.gz NBOGOFONAHJESY-OAHLLOKOSA-N -1 3 294.347 3.456 20 0 CGADHM CC1CCC(OCC(=O)Nc2ccc([O-])cc2F)CC1 ZINC000331047704 374499339 /nfs/dbraw/zinc/49/93/39/374499339.db2.gz HBCYTZRTMXSQQW-UHFFFAOYSA-N -1 3 281.327 3.065 20 0 CGADHM CO[C@@H]1CCC[C@@H](CC(=O)Nc2ccc([O-])cc2F)C1 ZINC000331062321 374501173 /nfs/dbraw/zinc/50/11/73/374501173.db2.gz NWWBYWGYKRZRHP-ZYHUDNBSSA-N -1 3 281.327 3.065 20 0 CGADHM C[C@H]1CCCN(C(=O)c2ccc3c(c2[O-])CCCC3)C1 ZINC000184781787 374558437 /nfs/dbraw/zinc/55/84/37/374558437.db2.gz QAAYMRGZZMMEJU-LBPRGKRZSA-N -1 3 273.376 3.143 20 0 CGADHM CCC[C@H](NCc1csc(-c2cccs2)n1)C(=O)[O-] ZINC000185048781 374581481 /nfs/dbraw/zinc/58/14/81/374581481.db2.gz AQJJJLSNLBBUGR-JTQLQIEISA-N -1 3 296.417 3.215 20 0 CGADHM CC[C@H](NC(=O)c1ccc([O-])c(OC)c1)C1CCCC1 ZINC000456660640 374595419 /nfs/dbraw/zinc/59/54/19/374595419.db2.gz NAORQRZCTWNOCJ-ZDUSSCGKSA-N -1 3 277.364 3.099 20 0 CGADHM Cc1ccc(C(=O)N[C@H]2CCO[C@H](CC(C)C)C2)c([O-])c1 ZINC000334087175 374646711 /nfs/dbraw/zinc/64/67/11/374646711.db2.gz LKHAFDDVNBQAPP-UONOGXRCSA-N -1 3 291.391 3.024 20 0 CGADHM Cc1ccc(NC(=O)c2cc[nH]c2C(C)C)c([O-])c1 ZINC000334349272 374674757 /nfs/dbraw/zinc/67/47/57/374674757.db2.gz ZZVXUKGBWXKAFY-UHFFFAOYSA-N -1 3 258.321 3.404 20 0 CGADHM COC1CCC(NC(=O)c2ccc(C(C)C)cc2[O-])CC1 ZINC000458069235 374678249 /nfs/dbraw/zinc/67/82/49/374678249.db2.gz RORJNHBABJVFLA-UHFFFAOYSA-N -1 3 291.391 3.203 20 0 CGADHM Cc1cccc(F)c1S(=O)(=O)[N-][C@H](C)c1cccs1 ZINC000186088305 374796516 /nfs/dbraw/zinc/79/65/16/374796516.db2.gz QFQUJYVKMTUXSH-SNVBAGLBSA-N -1 3 299.392 3.235 20 0 CGADHM Cn1cccc1[C@@H]1CCCN1Cc1cc([O-])cc(F)c1 ZINC000186163664 374806133 /nfs/dbraw/zinc/80/61/33/374806133.db2.gz VAQJXUYDWBLZCW-INIZCTEOSA-N -1 3 274.339 3.207 20 0 CGADHM Cc1ccc([C@H]2COCCN2Cc2cc([O-])cc(F)c2)o1 ZINC000186231350 374818222 /nfs/dbraw/zinc/81/82/22/374818222.db2.gz KOFJBUSYTGEIKU-OAHLLOKOSA-N -1 3 291.322 3.006 20 0 CGADHM C[C@H]1CCN(C(=O)C2=CCCC2)c2c([O-])cccc21 ZINC000186295704 374828481 /nfs/dbraw/zinc/82/84/81/374828481.db2.gz YDTFHNPGLSAHGQ-NSHDSACASA-N -1 3 257.333 3.343 20 0 CGADHM C[C@@H]1CCCC[C@@]1(C)NC(=O)NCc1ccc([O-])c(F)c1 ZINC000458406977 374785160 /nfs/dbraw/zinc/78/51/60/374785160.db2.gz FVMRJSRJLVVHML-BDJLRTHQSA-N -1 3 294.370 3.299 20 0 CGADHM CC(C)c1ccc(C(=O)N2CC(C(F)(F)F)C2)c([O-])c1 ZINC000334541211 374838009 /nfs/dbraw/zinc/83/80/09/374838009.db2.gz GXFWSJSUYHPOIU-UHFFFAOYSA-N -1 3 287.281 3.150 20 0 CGADHM COc1cccc(C(=O)Nc2ccsc2Cl)c1[O-] ZINC000186966145 374946973 /nfs/dbraw/zinc/94/69/73/374946973.db2.gz COPXDQLGQXUPNY-UHFFFAOYSA-N -1 3 283.736 3.368 20 0 CGADHM COC(=O)c1cnc(S[C@@H](C)c2ccccc2)[n-]1 ZINC000187583402 375048931 /nfs/dbraw/zinc/04/89/31/375048931.db2.gz VLMRGLNZRYVHFU-VIFPVBQESA-N -1 3 262.334 3.050 20 0 CGADHM CCCC[C@H](CC)CC(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000473848191 375063836 /nfs/dbraw/zinc/06/38/36/375063836.db2.gz PYRHRBLQUKCQNW-GXTWGEPZSA-N -1 3 293.411 3.228 20 0 CGADHM CCc1cc(C(=O)NC(C)(C)c2ccc(C)nc2)ccc1[O-] ZINC000487139455 375201074 /nfs/dbraw/zinc/20/10/74/375201074.db2.gz PCXGTSIZSCPXAK-UHFFFAOYSA-N -1 3 298.386 3.323 20 0 CGADHM CCc1cc(C(=O)N2CC[C@H](C)C(C)(C)C2)ccc1[O-] ZINC000487130915 375201610 /nfs/dbraw/zinc/20/16/10/375201610.db2.gz XZHWLYGCIMQPMX-LBPRGKRZSA-N -1 3 275.392 3.463 20 0 CGADHM CCCc1nc(C)c(NC(=O)c2cccc([O-])c2)s1 ZINC000487278369 375218374 /nfs/dbraw/zinc/21/83/74/375218374.db2.gz SXGUOHVJCQGINV-UHFFFAOYSA-N -1 3 276.361 3.362 20 0 CGADHM COCCc1ccccc1NCc1cc([O-])cc(F)c1 ZINC000188957335 375301310 /nfs/dbraw/zinc/30/13/10/375301310.db2.gz IKXWQGSZCUOCIV-UHFFFAOYSA-N -1 3 275.323 3.332 20 0 CGADHM O=C([N-]c1ccc(F)cc1F)c1cc(C2CC2)no1 ZINC000335818768 375456084 /nfs/dbraw/zinc/45/60/84/375456084.db2.gz IJZXUSGWRROBDN-UHFFFAOYSA-N -1 3 264.231 3.083 20 0 CGADHM CCc1ccc(C(=O)N2CCCC[C@H]2c2ncc[nH]2)c([O-])c1 ZINC000190694928 375532611 /nfs/dbraw/zinc/53/26/11/375532611.db2.gz OZTHVLCCWNWGMP-AWEZNQCLSA-N -1 3 299.374 3.045 20 0 CGADHM COc1ccc(C(=O)N2CCC(C)(C(C)C)CC2)c([O-])c1 ZINC000190331482 375495729 /nfs/dbraw/zinc/49/57/29/375495729.db2.gz MAWMWSSGEQDQPZ-UHFFFAOYSA-N -1 3 291.391 3.299 20 0 CGADHM Cc1cccc([O-])c1NC(=O)[C@@H](C)c1ccc2c(c1)OCO2 ZINC000497156745 375581574 /nfs/dbraw/zinc/58/15/74/375581574.db2.gz ADNLMZYJCIDIAG-NSHDSACASA-N -1 3 299.326 3.172 20 0 CGADHM C[C@H](C(=O)Nc1ccc([O-])cc1F)c1ccsc1 ZINC000335976914 375585560 /nfs/dbraw/zinc/58/55/60/375585560.db2.gz URKJPOBVKAIBDQ-QMMMGPOBSA-N -1 3 265.309 3.335 20 0 CGADHM O=c1cc(CSc2c(F)cc(F)cc2F)occ1[O-] ZINC000335994016 375601384 /nfs/dbraw/zinc/60/13/84/375601384.db2.gz BSTJJKWXVIGIQY-UHFFFAOYSA-N -1 3 288.246 3.055 20 0 CGADHM Cc1ccc(C(=O)N2CC(c3ccccc3F)C2)c([O-])c1 ZINC000336143020 375721978 /nfs/dbraw/zinc/72/19/78/375721978.db2.gz KAHNLMNZTDZWSI-UHFFFAOYSA-N -1 3 285.318 3.079 20 0 CGADHM CCc1cc([N-]S(=O)(=O)c2ccc(F)cc2)ccc1F ZINC000507563665 375713519 /nfs/dbraw/zinc/71/35/19/375713519.db2.gz GRCGEHMQVOKMKM-UHFFFAOYSA-N -1 3 297.326 3.328 20 0 CGADHM C[C@@H](CC(=O)Nc1cccc([O-])c1F)c1ccncc1 ZINC000129604980 542057439 /nfs/dbraw/zinc/05/74/39/542057439.db2.gz DSXDKCICCCVMLF-JTQLQIEISA-N -1 3 274.295 3.059 20 0 CGADHM COCc1ccc([C@H]2CCCN2[C@H](CC(C)C)C(=O)[O-])o1 ZINC000520416642 375854464 /nfs/dbraw/zinc/85/44/64/375854464.db2.gz NMNVIPPCJBENFA-ZIAGYGMSSA-N -1 3 295.379 3.062 20 0 CGADHM O=C([N-]C(c1cccs1)c1cccs1)C(F)F ZINC000194675993 376033155 /nfs/dbraw/zinc/03/31/55/376033155.db2.gz HLUBHBRWIGRVKK-UHFFFAOYSA-N -1 3 273.329 3.280 20 0 CGADHM CC(C)CCSCC(=O)Nc1cccc([O-])c1F ZINC000536463420 376091807 /nfs/dbraw/zinc/09/18/07/376091807.db2.gz JUPALNLZCHHKKN-UHFFFAOYSA-N -1 3 271.357 3.249 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2cc3n[nH]cc3cc2C)c1 ZINC000535791918 376062172 /nfs/dbraw/zinc/06/21/72/376062172.db2.gz WICRCIQRCVHUEE-UHFFFAOYSA-N -1 3 295.342 3.392 20 0 CGADHM CC[C@]1(C)C[C@@H]1C(=O)N=c1cc(-c2ccccc2C)[n-][nH]1 ZINC000537118992 376149300 /nfs/dbraw/zinc/14/93/00/376149300.db2.gz OTKFHYPXIVZAJM-CXAGYDPISA-N -1 3 283.375 3.182 20 0 CGADHM COc1ccc(NC(=O)c2ccc([O-])c(C)c2)cc1F ZINC000226716738 376370411 /nfs/dbraw/zinc/37/04/11/376370411.db2.gz IPHSRXFOKPMQSN-UHFFFAOYSA-N -1 3 275.279 3.101 20 0 CGADHM Cc1cc(C(=O)N2CC[C@H](c3ccccc3)C2)ccc1[O-] ZINC000226984754 376376710 /nfs/dbraw/zinc/37/67/10/376376710.db2.gz YDZJQSQBQNFOSV-INIZCTEOSA-N -1 3 281.355 3.330 20 0 CGADHM Cc1cc(C(=O)N[C@H]2CCCCC2(C)C)ccc1[O-] ZINC000227039688 376378750 /nfs/dbraw/zinc/37/87/50/376378750.db2.gz HUVJHWTUMGCNHC-AWEZNQCLSA-N -1 3 261.365 3.399 20 0 CGADHM Cc1cc(C(=O)N[C@@H](C)C2CCCCC2)ccc1[O-] ZINC000227033812 376379487 /nfs/dbraw/zinc/37/94/87/376379487.db2.gz ARVDYABSJKXVRX-LBPRGKRZSA-N -1 3 261.365 3.399 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CCC[C@H]2c2cccnc2)c1 ZINC000334288988 206314414 /nfs/dbraw/zinc/31/44/14/206314414.db2.gz KTGZSOMHLKDOEX-INIZCTEOSA-N -1 3 296.370 3.327 20 0 CGADHM CCc1onc(C)c1[N-]C(=O)c1c(F)ccc(C)c1F ZINC000334325789 206373508 /nfs/dbraw/zinc/37/35/08/206373508.db2.gz BESOQAJAPNJCHU-UHFFFAOYSA-N -1 3 280.274 3.384 20 0 CGADHM CCS[C@@H]1CCC[C@H]1NC(=O)c1cc([O-])ccc1Cl ZINC000233831793 376602327 /nfs/dbraw/zinc/60/23/27/376602327.db2.gz LHJGWKDPWSDMNF-CHWSQXEVSA-N -1 3 299.823 3.450 20 0 CGADHM O=C(c1cc([O-])ccc1Cl)N1CCCCCC1 ZINC000236605088 376670151 /nfs/dbraw/zinc/67/01/51/376670151.db2.gz BXIKBDZVKPTLRY-UHFFFAOYSA-N -1 3 253.729 3.062 20 0 CGADHM O=C(NCCC1CCCC1)c1cc([O-])ccc1Cl ZINC000236611240 376671810 /nfs/dbraw/zinc/67/18/10/376671810.db2.gz PXKURJOZZVATLD-UHFFFAOYSA-N -1 3 267.756 3.356 20 0 CGADHM Cc1cc(F)c(C(=O)Nc2ccccc2[O-])cc1F ZINC000135776415 542089344 /nfs/dbraw/zinc/08/93/44/542089344.db2.gz QFMWEWWDESXYCB-UHFFFAOYSA-N -1 3 263.243 3.231 20 0 CGADHM Cc1cccc(N(C)C(=O)c2cc(-c3ccco3)[n-]n2)c1 ZINC000339727437 376827408 /nfs/dbraw/zinc/82/74/08/376827408.db2.gz JVYUPHWZHMMSTK-UHFFFAOYSA-N -1 3 281.315 3.255 20 0 CGADHM Cc1cccc(N(C)C(=O)c2cc(-c3ccco3)n[n-]2)c1 ZINC000339727437 376827419 /nfs/dbraw/zinc/82/74/19/376827419.db2.gz JVYUPHWZHMMSTK-UHFFFAOYSA-N -1 3 281.315 3.255 20 0 CGADHM O=C(Cc1ccc([O-])cc1Cl)NCC12CCC(CC1)C2 ZINC000339928976 376873118 /nfs/dbraw/zinc/87/31/18/376873118.db2.gz IDTFUSRKALZTEQ-UHFFFAOYSA-N -1 3 293.794 3.285 20 0 CGADHM COc1ccc(C(=O)Nc2c([O-])cccc2Cl)cc1 ZINC000557181598 376924612 /nfs/dbraw/zinc/92/46/12/376924612.db2.gz WAHNFZGFNSAEPW-UHFFFAOYSA-N -1 3 277.707 3.307 20 0 CGADHM CCCC1(C(=O)Nc2cc(F)ccc2[O-])CCC1 ZINC000340311701 376995938 /nfs/dbraw/zinc/99/59/38/376995938.db2.gz CBCFOSMZLCEAMF-UHFFFAOYSA-N -1 3 251.301 3.440 20 0 CGADHM Cc1cccc(C(=O)Nc2cc(F)ccc2[O-])c1F ZINC000340315876 376996837 /nfs/dbraw/zinc/99/68/37/376996837.db2.gz SXINVAGTRIFFII-UHFFFAOYSA-N -1 3 263.243 3.231 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])[C@H]1Cc2ccccc2S1 ZINC000340315512 376997342 /nfs/dbraw/zinc/99/73/42/376997342.db2.gz FJFHTXQSHIWSHG-CQSZACIVSA-N -1 3 289.331 3.187 20 0 CGADHM CCOc1ccc(F)c([N-]C(=O)c2ccoc2)c1F ZINC000340433159 377053629 /nfs/dbraw/zinc/05/36/29/377053629.db2.gz IPZKVGWJTLUKJU-UHFFFAOYSA-N -1 3 267.231 3.209 20 0 CGADHM CSc1ccc(CN2CCC[C@@H](CC(=O)[O-])C2)s1 ZINC000560928185 377199870 /nfs/dbraw/zinc/19/98/70/377199870.db2.gz YNTCDMUZHZLIFT-JTQLQIEISA-N -1 3 285.434 3.157 20 0 CGADHM Cc1ccc2cc(C(=O)Nc3ccccc3[O-])[nH]c2c1 ZINC000248331644 377288012 /nfs/dbraw/zinc/28/80/12/377288012.db2.gz HKPNSPUZEXHWEG-UHFFFAOYSA-N -1 3 266.300 3.434 20 0 CGADHM CCCOc1cccc(NC(=O)c2c([O-])cccc2O)c1 ZINC000092108161 249032707 /nfs/dbraw/zinc/03/27/07/249032707.db2.gz GFLUJDKNSKXRJM-UHFFFAOYSA-N -1 3 287.315 3.139 20 0 CGADHM Cc1cccc(C(=O)N[C@H](C)CC(=O)c2ccccc2)c1[O-] ZINC000092600006 249034017 /nfs/dbraw/zinc/03/40/17/249034017.db2.gz UUXHMLHOLYKMEG-CYBMUJFWSA-N -1 3 297.354 3.092 20 0 CGADHM Cc1ccc([O-])c(C(=O)N(C)[C@H](C)Cc2ccc(O)cc2)c1 ZINC000092760485 249034650 /nfs/dbraw/zinc/03/46/50/249034650.db2.gz XEMPBGJMCBTUJR-CYBMUJFWSA-N -1 3 299.370 3.109 20 0 CGADHM Cc1ccc(NC(=O)c2ccc(C)cc2F)c([O-])c1 ZINC000094239614 249039881 /nfs/dbraw/zinc/03/98/81/249039881.db2.gz QAIAJGWNNUIABX-UHFFFAOYSA-N -1 3 259.280 3.400 20 0 CGADHM CCCN(CC(C)C)C(=O)c1c[n-]c2ccccc2c1=O ZINC000299091797 249078399 /nfs/dbraw/zinc/07/83/99/249078399.db2.gz NPTONXCQVRXPDB-UHFFFAOYSA-N -1 3 286.375 3.449 20 0 CGADHM C[C@@H](C(=O)[O-])[C@H](C)NCc1cc(Cl)sc1Cl ZINC000312671269 249081761 /nfs/dbraw/zinc/08/17/61/249081761.db2.gz SXVDQMWZPSBAJN-RITPCOANSA-N -1 3 282.192 3.254 20 0 CGADHM C[C@H](NCc1cc(Cl)sc1Cl)[C@H](C)C(=O)[O-] ZINC000312671270 249082111 /nfs/dbraw/zinc/08/21/11/249082111.db2.gz SXVDQMWZPSBAJN-WDSKDSINSA-N -1 3 282.192 3.254 20 0 CGADHM CCOC[C@H]1CCCCN1C(=O)c1cc([O-])ccc1Cl ZINC000313464306 249092443 /nfs/dbraw/zinc/09/24/43/249092443.db2.gz VGEKXXYNBXCZJH-LLVKDONJSA-N -1 3 297.782 3.077 20 0 CGADHM O=S(=O)([N-][C@@H]1CC[C@@H]2CCCC[C@H]2C1)c1cccs1 ZINC000514688781 249185603 /nfs/dbraw/zinc/18/56/03/249185603.db2.gz IPALZGIAJPBQDT-RWMBFGLXSA-N -1 3 299.461 3.385 20 0 CGADHM C[C@H]1C[C@H](C)N1Cc1cccc([O-])c1Br ZINC000516852453 249246388 /nfs/dbraw/zinc/24/63/88/249246388.db2.gz GFQSECWDMSYLSV-IUCAKERBSA-N -1 3 270.170 3.137 20 0 CGADHM CCC[C@H](CC)S(=O)(=O)[N-]c1cc(F)ccc1F ZINC000516905150 249248423 /nfs/dbraw/zinc/24/84/23/249248423.db2.gz JOPZDUXJTMDXDR-JTQLQIEISA-N -1 3 277.336 3.285 20 0 CGADHM Cc1ccc(C(=O)N[C@H]2CCc3ccc(F)cc32)c([O-])c1 ZINC000517370506 249263595 /nfs/dbraw/zinc/26/35/95/249263595.db2.gz HFJHDKOROHQMMA-HNNXBMFYSA-N -1 3 285.318 3.257 20 0 CGADHM Cc1oc([C@H](C)N2CCCC(C)(C)C2)cc1C(=O)[O-] ZINC000574816794 377712806 /nfs/dbraw/zinc/71/28/06/377712806.db2.gz UYUMTBBUVUUEKS-JTQLQIEISA-N -1 3 265.353 3.469 20 0 CGADHM Cc1oc([C@@H](C)N2C[C@@H](C)S[C@@H](C)C2)cc1C(=O)[O-] ZINC000574816144 377712941 /nfs/dbraw/zinc/71/29/41/377712941.db2.gz GJUTZVHQJIZRKS-KXUCPTDWSA-N -1 3 283.393 3.173 20 0 CGADHM O=C(CC/C=C\c1ccccc1)Nc1ncccc1[O-] ZINC000255718422 377777038 /nfs/dbraw/zinc/77/70/38/377777038.db2.gz UVAMPWPEPSKVEE-WTKPLQERSA-N -1 3 268.316 3.219 20 0 CGADHM C[C@H](C(=O)[O-])N(Cc1cccc(Cl)c1Cl)C1CC1 ZINC000262285959 377891638 /nfs/dbraw/zinc/89/16/38/377891638.db2.gz WQJLCYSGPZMDDW-MRVPVSSYSA-N -1 3 288.174 3.431 20 0 CGADHM CC(C)(C)c1cnc(CNCCC(C)(C)C(=O)[O-])s1 ZINC000263103960 377919749 /nfs/dbraw/zinc/91/97/49/377919749.db2.gz XJVKHMCBNXIYCB-UHFFFAOYSA-N -1 3 284.425 3.031 20 0 CGADHM CC(C)[C@H](NCc1ccc(F)c(Cl)c1Cl)C(=O)[O-] ZINC000263402919 377931796 /nfs/dbraw/zinc/93/17/96/377931796.db2.gz IRGDYPONVDCEEA-NSHDSACASA-N -1 3 294.153 3.331 20 0 CGADHM O=C([O-])c1cccc(CN[C@H]2CCO[C@@H]2c2ccccc2)c1 ZINC000263435771 377936178 /nfs/dbraw/zinc/93/61/78/377936178.db2.gz UNYORQDVUOPTAJ-DLBZAZTESA-N -1 3 297.354 3.005 20 0 CGADHM CO[C@H]1CCC[C@H](C(=O)Nc2cc(Cl)ccc2[O-])C1 ZINC000343305347 377948993 /nfs/dbraw/zinc/94/89/93/377948993.db2.gz WYPNHUVWAUGIOY-ONGXEEELSA-N -1 3 283.755 3.189 20 0 CGADHM CCc1nc(C)c(CN(CC2CC2)[C@@](C)(CC)C(=O)[O-])o1 ZINC000575431559 377908824 /nfs/dbraw/zinc/90/88/24/377908824.db2.gz JNTNSLVPWFKMNQ-INIZCTEOSA-N -1 3 294.395 3.011 20 0 CGADHM O=C([O-])c1ccccc1CN1CC[C@H](Oc2ccccc2)C1 ZINC000576046617 378010252 /nfs/dbraw/zinc/01/02/52/378010252.db2.gz VTGKQEZYPJVNDZ-INIZCTEOSA-N -1 3 297.354 3.038 20 0 CGADHM CCC(C)(C)CC(=O)Nc1n[n-]c(-c2ccccc2F)n1 ZINC000343557331 378019141 /nfs/dbraw/zinc/01/91/41/378019141.db2.gz VMJPDHNFIUOREH-UHFFFAOYSA-N -1 3 290.342 3.376 20 0 CGADHM Cc1ccccc1[C@@H]1CN(Cc2ncccc2[O-])[C@H](C)CO1 ZINC000575906456 377998765 /nfs/dbraw/zinc/99/87/65/377998765.db2.gz AXYWLDDWJCFHDM-KDOFPFPSSA-N -1 3 298.386 3.058 20 0 CGADHM C[C@H]1CN(C(=O)c2cc(=O)c3ccccc3[n-]2)C(C)(C)C1 ZINC000266942134 378029026 /nfs/dbraw/zinc/02/90/26/378029026.db2.gz WZXPICMWBTXIRY-LLVKDONJSA-N -1 3 284.359 3.201 20 0 CGADHM CC(=O)c1cccc(NC(=O)[C@H]2CCCCC2(F)F)c1[O-] ZINC000579125114 378132894 /nfs/dbraw/zinc/13/28/94/378132894.db2.gz CQLWTKBTPYAUQH-LLVKDONJSA-N -1 3 297.301 3.359 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)c2cc(F)c[nH]2)c1[O-] ZINC000343939129 378138727 /nfs/dbraw/zinc/13/87/27/378138727.db2.gz WIHPNHYWSDSKMG-UHFFFAOYSA-N -1 3 268.675 3.074 20 0 CGADHM CCC[C@@]1(C)CCCN(Cc2ccoc2C(=O)[O-])C1 ZINC000578778040 378099652 /nfs/dbraw/zinc/09/96/52/378099652.db2.gz FMOVIRLZWQLSSK-HNNXBMFYSA-N -1 3 265.353 3.380 20 0 CGADHM COc1ccccc1CN(CCCCCC(=O)[O-])C1CC1 ZINC000578778182 378099671 /nfs/dbraw/zinc/09/96/71/378099671.db2.gz KXNDPOKRUBSRPZ-UHFFFAOYSA-N -1 3 291.391 3.305 20 0 CGADHM Cc1ccc([C@@H](C)N(C)Cc2occc2C(=O)[O-])cc1 ZINC000578899215 378110984 /nfs/dbraw/zinc/11/09/84/378110984.db2.gz OIPPRRISDYSXIT-GFCCVEGCSA-N -1 3 273.332 3.479 20 0 CGADHM O=C(Nc1ccc2ccccc2n1)c1cccc([O-])c1 ZINC000345129251 378199897 /nfs/dbraw/zinc/19/98/97/378199897.db2.gz JULIOUOKPXJGOJ-UHFFFAOYSA-N -1 3 264.284 3.193 20 0 CGADHM O=C(Nc1ncccc1[O-])c1ccc(-c2ccccc2)o1 ZINC000345193193 378220348 /nfs/dbraw/zinc/22/03/48/378220348.db2.gz FOLTXXNDEIAAGU-UHFFFAOYSA-N -1 3 280.283 3.300 20 0 CGADHM CCN(Cc1cccc(Cl)c1)Cc1ncccc1[O-] ZINC000579406327 378157248 /nfs/dbraw/zinc/15/72/48/378157248.db2.gz FOJCRZDEQNGYRD-UHFFFAOYSA-N -1 3 276.767 3.463 20 0 CGADHM O=C([O-])c1occc1CN1CCC[C@]2(CC=CCC2)C1 ZINC000580955769 378271127 /nfs/dbraw/zinc/27/11/27/378271127.db2.gz PCYXDQPLEGMZEG-MRXNPFEDSA-N -1 3 275.348 3.300 20 0 CGADHM C[C@@H]1CC[C@@H](CCC(=O)Nc2ccc(Cl)cc2[O-])O1 ZINC000270031678 378296989 /nfs/dbraw/zinc/29/69/89/378296989.db2.gz GEMKRRKCLADBOM-KOLCDFICSA-N -1 3 283.755 3.332 20 0 CGADHM CCc1oc(C(=O)[O-])cc1CN(C)C1Cc2ccccc2C1 ZINC000582246896 378297319 /nfs/dbraw/zinc/29/73/19/378297319.db2.gz UMVBSHOIWSTYMN-UHFFFAOYSA-N -1 3 299.370 3.139 20 0 CGADHM O=C([N-][C@H]1CC=CCC1)C(F)(F)c1c(F)cccc1F ZINC000270423512 378349927 /nfs/dbraw/zinc/34/99/27/378349927.db2.gz NQQPUIQLWWWPKX-VIFPVBQESA-N -1 3 287.256 3.282 20 0 CGADHM Cc1ccc(C(=O)N[C@@H]2CCO[C@H](C(C)(C)C)C2)c([O-])c1 ZINC000270719509 378393407 /nfs/dbraw/zinc/39/34/07/378393407.db2.gz DERRZTOCJNSWQV-DOMZBBRYSA-N -1 3 291.391 3.024 20 0 CGADHM C[C@H]1CN(C(=O)c2cc(=O)c3ccccc3[n-]2)CC[C@@H]1C ZINC000270913283 378414065 /nfs/dbraw/zinc/41/40/65/378414065.db2.gz CUHLKYBPVXEQAX-RYUDHWBXSA-N -1 3 284.359 3.059 20 0 CGADHM Cc1ccc([O-])c(NC(=O)C2(Cc3ccccc3)CC2)n1 ZINC000345939091 378414382 /nfs/dbraw/zinc/41/43/82/378414382.db2.gz YRHRUBPTGWTAIR-UHFFFAOYSA-N -1 3 282.343 3.057 20 0 CGADHM CC[C@H](C)N(C)Cc1cc(C(=O)[O-])ccc1Cl ZINC000584416099 378381864 /nfs/dbraw/zinc/38/18/64/378381864.db2.gz MIUDVCKSOVFUGN-VIFPVBQESA-N -1 3 255.745 3.269 20 0 CGADHM O=C([O-])c1cccc2c1CCN([C@@H]1C[C@@H]1c1ccccc1)C2 ZINC000584422199 378383190 /nfs/dbraw/zinc/38/31/90/378383190.db2.gz PPRVKLSLOPOLRR-QZTJIDSGSA-N -1 3 293.366 3.299 20 0 CGADHM CC1(C)CCN(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000346027598 378442834 /nfs/dbraw/zinc/44/28/34/378442834.db2.gz BUTOGCQMNWYJQQ-UHFFFAOYSA-N -1 3 279.355 3.113 20 0 CGADHM Cc1cc(C(=O)N[C@@H]2CCCOc3ccccc32)ccc1[O-] ZINC000272352960 378619446 /nfs/dbraw/zinc/61/94/46/378619446.db2.gz DHSYWNCSIAETHT-OAHLLOKOSA-N -1 3 297.354 3.344 20 0 CGADHM CCc1csc(CC(=O)Nc2cc(Cl)ccc2[O-])n1 ZINC000346819021 378692830 /nfs/dbraw/zinc/69/28/30/378692830.db2.gz DLLSPGAODUKETJ-UHFFFAOYSA-N -1 3 296.779 3.246 20 0 CGADHM C[C@H](OCC1CC1)C(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000186292465 542242416 /nfs/dbraw/zinc/24/24/16/542242416.db2.gz UNKSYSPITSZZQZ-RYUDHWBXSA-N -1 3 289.375 3.048 20 0 CGADHM C[C@@H]1CCN(C(=O)c2c[n-]c3ccccc3c2=O)CC1(C)C ZINC000274221741 378795283 /nfs/dbraw/zinc/79/52/83/378795283.db2.gz OUCSJBQPXPFVQK-GFCCVEGCSA-N -1 3 298.386 3.449 20 0 CGADHM Cc1nc(C(=O)Nc2cc(C(C)(C)C)ccc2[O-])co1 ZINC000186810795 542243457 /nfs/dbraw/zinc/24/34/57/542243457.db2.gz BEPXBRBVNKKPIY-UHFFFAOYSA-N -1 3 274.320 3.238 20 0 CGADHM Cc1ncc(CN[C@@H](C)c2ccc(F)c(Cl)c2)c(=O)[n-]1 ZINC000346802607 218019427 /nfs/dbraw/zinc/01/94/27/218019427.db2.gz DHENFDPZJWLZOC-QMMMGPOBSA-N -1 3 295.745 3.134 20 0 CGADHM CC1(C)C[C@@H](NC(=O)c2cc([O-])ccc2Cl)C(C)(C)O1 ZINC000278478075 194001928 /nfs/dbraw/zinc/00/19/28/194001928.db2.gz XJVBWLYCSREJBU-GFCCVEGCSA-N -1 3 297.782 3.122 20 0 CGADHM Cc1ccoc1CN[C@@H](Cc1cccc(Cl)c1)C(=O)[O-] ZINC000277211897 379100729 /nfs/dbraw/zinc/10/07/29/379100729.db2.gz HFVDARCPBAYINM-ZDUSSCGKSA-N -1 3 293.750 3.027 20 0 CGADHM COc1ccc2c(c1)[C@H](C(=O)Nc1ccc(C)cc1[O-])CC2 ZINC000277459806 379164795 /nfs/dbraw/zinc/16/47/95/379164795.db2.gz RVAAHKBWRUNVRY-CQSZACIVSA-N -1 3 297.354 3.378 20 0 CGADHM Clc1cc(-c2nc(CC3CC3)no2)[n-]c1Cl ZINC000266616606 190271910 /nfs/dbraw/zinc/27/19/10/190271910.db2.gz SELAURGDRRLFAQ-UHFFFAOYSA-N -1 3 258.108 3.324 20 0 CGADHM Cc1nc2c(cccc2C(=O)Nc2cc(F)ccc2[O-])o1 ZINC000350705140 379580232 /nfs/dbraw/zinc/58/02/32/379580232.db2.gz YXTHIUJZADIMKA-UHFFFAOYSA-N -1 3 286.262 3.233 20 0 CGADHM CSCCO[N-]C(=O)CCCc1cc(C)sc1C ZINC000279961718 379564463 /nfs/dbraw/zinc/56/44/63/379564463.db2.gz JPXUZGCROUBUGS-UHFFFAOYSA-N -1 3 287.450 3.098 20 0 CGADHM COc1cccc(-c2nc(-c3ccc(Cl)o3)no2)c1[O-] ZINC000350908880 379608211 /nfs/dbraw/zinc/60/82/11/379608211.db2.gz PBOODXKFRQFEGN-UHFFFAOYSA-N -1 3 292.678 3.364 20 0 CGADHM [O-]c1ccc(Cc2nc(-c3cncs3)no2)c(Cl)c1 ZINC000350914625 379611359 /nfs/dbraw/zinc/61/13/59/379611359.db2.gz IZBOUGJOCXQWEO-UHFFFAOYSA-N -1 3 293.735 3.143 20 0 CGADHM CC[C@H](CC(F)F)c1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000351466621 379723116 /nfs/dbraw/zinc/72/31/16/379723116.db2.gz SUIPBCSBDAWXCE-SSDOTTSWSA-N -1 3 293.277 3.157 20 0 CGADHM CSCCON=C([O-])Nc1cccc(OCC(C)C)c1 ZINC000280568526 379735243 /nfs/dbraw/zinc/73/52/43/379735243.db2.gz QZRFWLIPYWCKBC-UHFFFAOYSA-N -1 3 298.408 3.138 20 0 CGADHM CSCCO[N-]C(=O)Nc1cccc(OCC(C)C)c1 ZINC000280568526 379735247 /nfs/dbraw/zinc/73/52/47/379735247.db2.gz QZRFWLIPYWCKBC-UHFFFAOYSA-N -1 3 298.408 3.138 20 0 CGADHM O=C(c1cc([O-])ccc1Cl)N1CC[C@H](c2ccco2)C1 ZINC000377939853 379758259 /nfs/dbraw/zinc/75/82/59/379758259.db2.gz KEFNKYPJBKUKEA-JTQLQIEISA-N -1 3 291.734 3.268 20 0 CGADHM O=C([O-])CCCCN1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000378634035 379849670 /nfs/dbraw/zinc/84/96/70/379849670.db2.gz BMJKIZZWZFWPGN-AWEZNQCLSA-N -1 3 283.318 3.357 20 0 CGADHM Cc1nocc1[N-]C(=O)c1cnc(OC(C)C)c(Cl)c1 ZINC000640488543 379811473 /nfs/dbraw/zinc/81/14/73/379811473.db2.gz IJUWBQUHSVRMQA-UHFFFAOYSA-N -1 3 295.726 3.071 20 0 CGADHM CN(Cc1ccoc1)Cc1cc([O-])ccc1Br ZINC000352653486 379894340 /nfs/dbraw/zinc/89/43/40/379894340.db2.gz XPBNXGQLRQXJPN-UHFFFAOYSA-N -1 3 296.164 3.380 20 0 CGADHM Cc1cccc(C(=O)N(C)C[C@@H]2CC=CCC2)c1[O-] ZINC000402786216 379972861 /nfs/dbraw/zinc/97/28/61/379972861.db2.gz SPTRKYADCWLPKQ-CYBMUJFWSA-N -1 3 259.349 3.129 20 0 CGADHM C[C@@H]1CCCCCN1C(=O)c1cc([O-])ccc1Cl ZINC000235380731 296304190 /nfs/dbraw/zinc/30/41/90/296304190.db2.gz YITNFGYQTMIAFV-SNVBAGLBSA-N -1 3 267.756 3.450 20 0 CGADHM CCCc1occc1C(=O)NCc1ccc([O-])c(F)c1 ZINC000282934247 380013991 /nfs/dbraw/zinc/01/39/91/380013991.db2.gz YMZOSRSBHYRZIH-UHFFFAOYSA-N -1 3 277.295 3.007 20 0 CGADHM CC(C)(C)c1ccc(NC(=O)CCc2cncnc2)c([O-])c1 ZINC000353049789 380094863 /nfs/dbraw/zinc/09/48/63/380094863.db2.gz UNPBRAUQCANSDS-UHFFFAOYSA-N -1 3 299.374 3.051 20 0 CGADHM [O-]c1ccc(F)c(CNCc2cccc3cc[nH]c32)c1F ZINC000353126605 380126680 /nfs/dbraw/zinc/12/66/80/380126680.db2.gz NCWBRPSYODUVJS-UHFFFAOYSA-N -1 3 288.297 3.442 20 0 CGADHM Cc1nnc([N-][C@H](C)c2nc3ccccc3n2C(F)F)o1 ZINC000286227060 380179495 /nfs/dbraw/zinc/17/94/95/380179495.db2.gz TXDGVTXTYSAART-SSDOTTSWSA-N -1 3 293.277 3.296 20 0 CGADHM COCc1ccccc1/C=C(/C)CNCc1ncccc1[O-] ZINC000353254476 380190600 /nfs/dbraw/zinc/19/06/00/380190600.db2.gz DHYGJEFMEZJPQX-UVTDQMKNSA-N -1 3 298.386 3.127 20 0 CGADHM O=C([N-]c1cnoc1)c1nc2ccccc2cc1Cl ZINC000643461668 380311954 /nfs/dbraw/zinc/31/19/54/380311954.db2.gz LGDOECKCTBWZDG-UHFFFAOYSA-N -1 3 273.679 3.129 20 0 CGADHM CC[C@H](C)N(CC(=O)[O-])Cc1cc2cc(OC)ccc2o1 ZINC000414683702 380372064 /nfs/dbraw/zinc/37/20/64/380372064.db2.gz PQOLFPSKGCUZAF-NSHDSACASA-N -1 3 291.347 3.127 20 0 CGADHM CC(=Cc1nc(-c2ccc3n[n-]nc3c2)no1)C(C)(C)C ZINC000643895163 380391325 /nfs/dbraw/zinc/39/13/25/380391325.db2.gz ZJZHYPSQRBBRNC-VQHVLOKHSA-N -1 3 283.335 3.457 20 0 CGADHM Cc1cc(F)ccc1-c1ccc(CN[C@@H](C)CC(=O)[O-])o1 ZINC000414640444 380350885 /nfs/dbraw/zinc/35/08/85/380350885.db2.gz RSLZNOHFFTZKKX-NSHDSACASA-N -1 3 291.322 3.347 20 0 CGADHM Cc1cc(C(=O)N(C)CCc2ccc(F)cc2)ccc1[O-] ZINC000354421457 380432934 /nfs/dbraw/zinc/43/29/34/380432934.db2.gz QJOSNZMPWJHWTM-UHFFFAOYSA-N -1 3 287.334 3.154 20 0 CGADHM Cc1cc(C(=O)N2CC[C@@H]2c2ccccc2)ccc1[O-] ZINC000354388312 380421858 /nfs/dbraw/zinc/42/18/58/380421858.db2.gz LAVGYAHTXGWSST-OAHLLOKOSA-N -1 3 267.328 3.288 20 0 CGADHM CC[C@H](NCc1cc(Cl)ccc1OCC1CC1)C(=O)[O-] ZINC000417579015 380642980 /nfs/dbraw/zinc/64/29/80/380642980.db2.gz OUJGYTJENUHVRP-ZDUSSCGKSA-N -1 3 297.782 3.082 20 0 CGADHM CC1(C)C[C@H](NCc2cccc([O-])c2Cl)C(C)(C)O1 ZINC000645171581 380603704 /nfs/dbraw/zinc/60/37/04/380603704.db2.gz NUVSLSXCQNJKRB-LBPRGKRZSA-N -1 3 283.799 3.481 20 0 CGADHM CC[C@@H](CCNCc1ccc(Cl)cc1F)C(=O)[O-] ZINC000417652573 380661917 /nfs/dbraw/zinc/66/19/17/380661917.db2.gz QYPMBOBIDSZWEG-VIFPVBQESA-N -1 3 273.735 3.070 20 0 CGADHM CC[C@@H](CCNCc1c(F)cccc1Cl)C(=O)[O-] ZINC000417652609 380661940 /nfs/dbraw/zinc/66/19/40/380661940.db2.gz RAYGMHIOOXBHDM-VIFPVBQESA-N -1 3 273.735 3.070 20 0 CGADHM Cc1ccc(CN[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)s1 ZINC000417615624 380652058 /nfs/dbraw/zinc/65/20/58/380652058.db2.gz GMOXYKUNCNVMFU-HUUCEWRRSA-N -1 3 287.384 3.459 20 0 CGADHM C[C@@H](NCc1ccc(Oc2ccccc2)o1)[C@@H](C)C(=O)[O-] ZINC000417616003 380653272 /nfs/dbraw/zinc/65/32/72/380653272.db2.gz UTNMIVMFJHDLSI-VXGBXAGGSA-N -1 3 289.331 3.271 20 0 CGADHM C[C@H](C1CCC1)N(C)C(=O)Cc1ccc([O-])cc1Cl ZINC000356886830 380920419 /nfs/dbraw/zinc/92/04/19/380920419.db2.gz YTQRETOSDAGNNT-SNVBAGLBSA-N -1 3 281.783 3.235 20 0 CGADHM Cc1cccc([O-])c1NC(=O)CO[C@@H]1CCCC[C@@H]1C ZINC000357093720 381027098 /nfs/dbraw/zinc/02/70/98/381027098.db2.gz LRCNPWXJEOYAKX-SMDDNHRTSA-N -1 3 277.364 3.234 20 0 CGADHM O=C(Nc1ccc(-c2cncnc2)cc1)c1cccc([O-])c1 ZINC000357298230 381096894 /nfs/dbraw/zinc/09/68/94/381096894.db2.gz YKIMYULTSVFQDL-UHFFFAOYSA-N -1 3 291.310 3.102 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2cccc(C3CC3)n2)c1 ZINC000353719850 220278190 /nfs/dbraw/zinc/27/81/90/220278190.db2.gz CEKKWQSKZJYVFY-UHFFFAOYSA-N -1 3 268.316 3.225 20 0 CGADHM Cc1ccc(-c2nnc(NC(=O)[C@H](C)CC(C)(C)C)[n-]2)o1 ZINC000361500795 381778458 /nfs/dbraw/zinc/77/84/58/381778458.db2.gz JCUGHVXEVHRBQL-SECBINFHSA-N -1 3 290.367 3.384 20 0 CGADHM Cc1ccc(-c2n[n-]c(NC(=O)[C@H](C)CC(C)(C)C)n2)o1 ZINC000361500795 381778463 /nfs/dbraw/zinc/77/84/63/381778463.db2.gz JCUGHVXEVHRBQL-SECBINFHSA-N -1 3 290.367 3.384 20 0 CGADHM Cc1ccc(-c2nc(NC(=O)[C@H](C)CC(C)(C)C)n[n-]2)o1 ZINC000361500795 381778468 /nfs/dbraw/zinc/77/84/68/381778468.db2.gz JCUGHVXEVHRBQL-SECBINFHSA-N -1 3 290.367 3.384 20 0 CGADHM COc1cc(C(=O)N[C@@H]2c3ccccc3C[C@H]2C)ccc1[O-] ZINC000362390312 381970495 /nfs/dbraw/zinc/97/04/95/381970495.db2.gz HEFIXTJDXMGDOP-DIFFPNOSSA-N -1 3 297.354 3.064 20 0 CGADHM O=C(c1ccc([O-])cc1)C1CCN([C@H]2C=CCCC2)CC1 ZINC000363188754 382189871 /nfs/dbraw/zinc/18/98/71/382189871.db2.gz QBNNQDGLVYWGEF-INIZCTEOSA-N -1 3 285.387 3.396 20 0 CGADHM COc1ccccc1[C@H](C)NC(=O)c1cccc(C)c1[O-] ZINC000436526651 533007141 /nfs/dbraw/zinc/00/71/41/533007141.db2.gz QWTRNAWZCKROKX-LBPRGKRZSA-N -1 3 285.343 3.200 20 0 CGADHM COc1cc(C(=O)N(C)C2CCC(F)(F)CC2)ccc1[O-] ZINC000335282430 208095321 /nfs/dbraw/zinc/09/53/21/208095321.db2.gz WOUXUSZSQURWSH-UHFFFAOYSA-N -1 3 299.317 3.051 20 0 CGADHM C[C@@H]([N-]C(=O)C(C)(F)F)c1cc2ccccc2o1 ZINC000288680263 197143366 /nfs/dbraw/zinc/14/33/66/197143366.db2.gz XAJSHXIRZQGXSL-MRVPVSSYSA-N -1 3 253.248 3.265 20 0 CGADHM C[C@@H]1C[C@@H](NC(=O)c2cc([O-])c3ccccc3c2)C[C@H](C)O1 ZINC000335169153 542465243 /nfs/dbraw/zinc/46/52/43/542465243.db2.gz NAZVDCKXHCCAGI-JJLQDPRZSA-N -1 3 299.370 3.231 20 0 CGADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CC2(CC2)C1 ZINC000335399326 542468954 /nfs/dbraw/zinc/46/89/54/542468954.db2.gz KZNVEAJTLUZALI-UHFFFAOYSA-N -1 3 295.338 3.421 20 0 CGADHM O=C([N-][C@H]1C[C@H](c2cccc(F)c2)C1)C(F)(F)C(F)F ZINC000281417468 195232238 /nfs/dbraw/zinc/23/22/38/195232238.db2.gz NEEPTMLHDGPNJB-CZMCAQCFSA-N -1 3 293.235 3.088 20 0 CGADHM CC(C)O[C@@H]1CCN(C(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000335638121 542470983 /nfs/dbraw/zinc/47/09/83/542470983.db2.gz RNPCTDWMKUZZPY-OAHLLOKOSA-N -1 3 299.370 3.185 20 0 CGADHM Cc1ccc(-c2nc([C@@H]3CCOC(C)(C)C3)no2)c([O-])c1 ZINC000351167170 542541194 /nfs/dbraw/zinc/54/11/94/542541194.db2.gz ANKYODKYMCJHTL-LLVKDONJSA-N -1 3 288.347 3.423 20 0 CGADHM Cc1ccc([O-])c(-c2nc([C@@H]3CCOC(C)(C)C3)no2)c1 ZINC000351188154 542542726 /nfs/dbraw/zinc/54/27/26/542542726.db2.gz NDIHUMDDYYVGMJ-LLVKDONJSA-N -1 3 288.347 3.423 20 0 CGADHM Cc1cc(C)cc(Cc2nc3ccc([O-])cc3c(=O)[nH]2)c1 ZINC000351859068 542551808 /nfs/dbraw/zinc/55/18/08/542551808.db2.gz ZQUDHYLHDRBYHY-UHFFFAOYSA-N -1 3 280.327 3.249 20 0 CGADHM O=c1[n-]c([C@H]2CCCC(F)(F)C2)nc2cccnc12 ZINC000352207341 542552319 /nfs/dbraw/zinc/55/23/19/542552319.db2.gz WOHFIZHIFUFOSQ-QMMMGPOBSA-N -1 3 265.263 3.023 20 0 CGADHM CN(Cc1ccc[nH]1)C(=O)c1cc([O-])c2ccccc2c1 ZINC000354929760 542564369 /nfs/dbraw/zinc/56/43/69/542564369.db2.gz ZVOAFFMLSBTLDK-UHFFFAOYSA-N -1 3 280.327 3.146 20 0 CGADHM Cc1occc1CNCc1ccc([O-])c(Cl)c1 ZINC000733325752 572556567 /nfs/dbraw/zinc/55/65/67/572556567.db2.gz WHWRBWOTFKYZSQ-UHFFFAOYSA-N -1 3 251.713 3.237 20 0 CGADHM C[C@@H](NC(=O)c1ccc(O)cc1[O-])C(C)(C)c1ccccc1 ZINC000439055791 533290708 /nfs/dbraw/zinc/29/07/08/533290708.db2.gz IRKLIHKCENPHJP-GFCCVEGCSA-N -1 3 299.370 3.194 20 0 CGADHM COc1ccc(C(=O)N2CCCC23CCCCC3)c([O-])c1 ZINC000367453560 533292733 /nfs/dbraw/zinc/29/27/33/533292733.db2.gz DFUCQLMJIZXNAA-UHFFFAOYSA-N -1 3 289.375 3.340 20 0 CGADHM COc1cc(-c2noc(-c3ccc(F)cc3)n2)ccc1[O-] ZINC000436786552 533455964 /nfs/dbraw/zinc/45/59/64/533455964.db2.gz DOQHMRJKFYIPHW-UHFFFAOYSA-N -1 3 286.262 3.257 20 0 CGADHM COc1ccc(CC[C@@H](C)NC(=O)c2ccccc2[O-])cc1 ZINC000436721942 533505556 /nfs/dbraw/zinc/50/55/56/533505556.db2.gz ZHGJKQNKUODPJQ-CYBMUJFWSA-N -1 3 299.370 3.152 20 0 CGADHM Cc1ccc(C(=O)N[C@H](C)Cc2ccccc2C)c([O-])c1 ZINC000436783862 533589002 /nfs/dbraw/zinc/58/90/02/533589002.db2.gz NUZXKRGVDCDSNM-CQSZACIVSA-N -1 3 283.371 3.370 20 0 CGADHM COc1cc(C(=O)NC[C@H](C)c2cccc(C)c2)ccc1[O-] ZINC000442976639 533539110 /nfs/dbraw/zinc/53/91/10/533539110.db2.gz MYEHUDBPYWERCF-ZDUSSCGKSA-N -1 3 299.370 3.243 20 0 CGADHM COc1cccc(Cl)c1CN1CCC[C@H](C)[C@@H]1C(=O)[O-] ZINC000424269348 533557978 /nfs/dbraw/zinc/55/79/78/533557978.db2.gz MHGRAZSRCVSDMA-IINYFYTJSA-N -1 3 297.782 3.034 20 0 CGADHM Cc1ccc(C(=O)Nc2ccccc2-n2cccn2)c([O-])c1 ZINC000436761296 533615848 /nfs/dbraw/zinc/61/58/48/533615848.db2.gz XOODWJORFMFUFC-UHFFFAOYSA-N -1 3 293.326 3.139 20 0 CGADHM Cc1ccc(C(=O)Nc2ccnn2CC(C)C)c([O-])c1C ZINC000436568404 533619544 /nfs/dbraw/zinc/61/95/44/533619544.db2.gz STZNQQVGFYTTAT-UHFFFAOYSA-N -1 3 287.363 3.114 20 0 CGADHM COC1([C@@H](C)NC(=O)c2cc([O-])c3ccccc3c2)CCC1 ZINC000412768205 542632066 /nfs/dbraw/zinc/63/20/66/542632066.db2.gz SABVIJHTASOPGN-GFCCVEGCSA-N -1 3 299.370 3.233 20 0 CGADHM CCOc1cccc(NC(=O)c2ccc(C)cc2[O-])c1 ZINC000048442469 392000239 /nfs/dbraw/zinc/00/02/39/392000239.db2.gz POABWSYKTWKNJC-UHFFFAOYSA-N -1 3 271.316 3.352 20 0 CGADHM COc1ccc([O-])c(C(=O)Nc2cc(C)ccc2F)c1 ZINC000051770642 392073507 /nfs/dbraw/zinc/07/35/07/392073507.db2.gz XLISEHUBKFPXBW-UHFFFAOYSA-N -1 3 275.279 3.101 20 0 CGADHM Cc1cnc(NC(=O)c2cc3c(cc2[O-])CCCC3)s1 ZINC000049180020 392036543 /nfs/dbraw/zinc/03/65/43/392036543.db2.gz PKIPSUASBQAWNO-UHFFFAOYSA-N -1 3 288.372 3.288 20 0 CGADHM Cc1ccc(C(=O)NC[C@@H]2CC=CCC2)c([O-])c1C ZINC000049295642 392042846 /nfs/dbraw/zinc/04/28/46/392042846.db2.gz LBSQVWAODUNSQJ-CYBMUJFWSA-N -1 3 259.349 3.095 20 0 CGADHM Cc1ccc(C(=O)N[C@@H](C)Cc2cccs2)c([O-])c1 ZINC000070140838 392176825 /nfs/dbraw/zinc/17/68/25/392176825.db2.gz MFEIEQYGFBUVJR-NSHDSACASA-N -1 3 275.373 3.123 20 0 CGADHM O=C(NCCCC(F)(F)F)c1cc([O-])ccc1Cl ZINC000236632051 130963561 /nfs/dbraw/zinc/96/35/61/130963561.db2.gz JVHQFGFXWRGCFE-UHFFFAOYSA-N -1 3 281.661 3.118 20 0 CGADHM CC(C)Oc1ccccc1C[S@](=O)c1ccc([O-])cc1 ZINC000108086540 392335583 /nfs/dbraw/zinc/33/55/83/392335583.db2.gz YFVZNLHZCLLVCK-HXUWFJFHSA-N -1 3 290.384 3.487 20 0 CGADHM O=C(Nc1nc(C2CC2)c[nH]1)c1ccc2c(c1[O-])CCCC2 ZINC000436711523 542659194 /nfs/dbraw/zinc/65/91/94/542659194.db2.gz IYSYGHSKQWFUDV-UHFFFAOYSA-N -1 3 297.358 3.124 20 0 CGADHM COc1ccc(NC(=O)[C@@H](C)CC(C)C)c([O-])c1 ZINC000443562950 542666400 /nfs/dbraw/zinc/66/64/00/542666400.db2.gz WKAPJONYZXLVSP-JTQLQIEISA-N -1 3 251.326 3.022 20 0 CGADHM COc1ccc(NC(=O)CCO[C@H](C)CC(C)C)c([O-])c1 ZINC000443565689 542666426 /nfs/dbraw/zinc/66/64/26/542666426.db2.gz HXYJTUHYDVYBOR-GFCCVEGCSA-N -1 3 295.379 3.181 20 0 CGADHM O=C([O-])[C@H]1CC[C@H](CNCc2cc(Cl)ccc2F)CC1 ZINC000253248501 131140706 /nfs/dbraw/zinc/14/07/06/131140706.db2.gz UIPZAIPGORRVIV-XYPYZODXSA-N -1 3 299.773 3.460 20 0 CGADHM Cc1nc(C(C)C)sc1[C@@H](C)N(C)CCCC(=O)[O-] ZINC000261941809 131178330 /nfs/dbraw/zinc/17/83/30/131178330.db2.gz MUPVRGMLEHCYFQ-LLVKDONJSA-N -1 3 284.425 3.433 20 0 CGADHM Cc1ccc([O-])c(CN[C@H]2CCCc3ccccc32)n1 ZINC000112716219 392381270 /nfs/dbraw/zinc/38/12/70/392381270.db2.gz YZOHAEPWOCMOJY-HNNXBMFYSA-N -1 3 268.360 3.263 20 0 CGADHM Cc1ccc([O-])c(CNCc2ccccc2C(F)(F)F)n1 ZINC000112716900 392382069 /nfs/dbraw/zinc/38/20/69/392382069.db2.gz WRKPDUNIUANBDC-UHFFFAOYSA-N -1 3 296.292 3.404 20 0 CGADHM COc1ccc([O-])c(C(=O)N(C)C[C@@H](C)c2ccccc2)c1 ZINC000263852993 131345803 /nfs/dbraw/zinc/34/58/03/131345803.db2.gz NJDGPNVBZXJLNF-CYBMUJFWSA-N -1 3 299.370 3.277 20 0 CGADHM CCc1cc(C(=O)Nc2nnc(C(C)C)s2)ccc1[O-] ZINC000291489320 392462264 /nfs/dbraw/zinc/46/22/64/392462264.db2.gz NWEKUGBZKNYCCD-UHFFFAOYSA-N -1 3 291.376 3.182 20 0 CGADHM CCc1cc(C(=O)N(C)[C@H](C)c2ccco2)ccc1[O-] ZINC000291567892 392469895 /nfs/dbraw/zinc/46/98/95/392469895.db2.gz YWGGRAUAUDELEZ-LLVKDONJSA-N -1 3 273.332 3.381 20 0 CGADHM Cc1cccc([O-])c1NC(=O)c1ccc(C(C)C)cn1 ZINC000291800240 392485502 /nfs/dbraw/zinc/48/55/02/392485502.db2.gz ZGRFYPKKMUUDJK-UHFFFAOYSA-N -1 3 270.332 3.471 20 0 CGADHM C[C@@](CO)(NCc1cccc([O-])c1Cl)c1ccccc1 ZINC000328438538 392674035 /nfs/dbraw/zinc/67/40/35/392674035.db2.gz CUVYECZGNNDVFE-INIZCTEOSA-N -1 3 291.778 3.043 20 0 CGADHM CC(=O)c1ccc(C(=O)[N-]c2ccsc2Cl)o1 ZINC000334491986 392730905 /nfs/dbraw/zinc/73/09/05/392730905.db2.gz MCSQCECOFWFRBF-UHFFFAOYSA-N -1 3 269.709 3.449 20 0 CGADHM Cc1ccc(C(=O)N2CCC[C@H]2c2nccs2)c([O-])c1 ZINC000375073756 392734043 /nfs/dbraw/zinc/73/40/43/392734043.db2.gz IPOOHTYDCYYEEV-LBPRGKRZSA-N -1 3 288.372 3.134 20 0 CGADHM CCCC[C@@H]1CCC[C@@H]1NC(=O)c1cccc([O-])c1 ZINC000509336607 392744624 /nfs/dbraw/zinc/74/46/24/392744624.db2.gz FJUBBNXOVTXQFL-DOMZBBRYSA-N -1 3 261.365 3.481 20 0 CGADHM O=C(c1cccc([O-])c1)N1CC[C@@](F)(c2ccccc2)C1 ZINC000374791056 392701198 /nfs/dbraw/zinc/70/11/98/392701198.db2.gz DDCZNWXOMXPOLO-KRWDZBQOSA-N -1 3 285.318 3.103 20 0 CGADHM COCCCCC(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000506243712 392716880 /nfs/dbraw/zinc/71/68/80/392716880.db2.gz NALSFZMGRURUMS-UHFFFAOYSA-N -1 3 279.380 3.445 20 0 CGADHM CCCCOc1ccc(C(=O)N2CC[C@@H](C)[C@H]2C)c([O-])c1 ZINC000190579860 392816131 /nfs/dbraw/zinc/81/61/31/392816131.db2.gz ZPGOHDBCHTYQPO-CHWSQXEVSA-N -1 3 291.391 3.442 20 0 CGADHM C[C@H](CN1CC[C@H](C)[C@@H](C(=O)[O-])C1)c1cc(F)cc(F)c1 ZINC000519706923 392885356 /nfs/dbraw/zinc/88/53/56/392885356.db2.gz AUIGSYKMOYUBHQ-RWSFTLGLSA-N -1 3 297.345 3.111 20 0 CGADHM CN(C(=O)c1cc([O-])c2ccccc2c1)c1nccs1 ZINC000526880232 542741859 /nfs/dbraw/zinc/74/18/59/542741859.db2.gz GVKVGDJFJXZHNM-UHFFFAOYSA-N -1 3 284.340 3.279 20 0 CGADHM O=C(CCCc1ccc([O-])c(F)c1)NC[C@H]1CC=CCC1 ZINC000469060658 393174974 /nfs/dbraw/zinc/17/49/74/393174974.db2.gz VHYVEXRWTSJEKY-AWEZNQCLSA-N -1 3 291.366 3.327 20 0 CGADHM CC(C)n1cc([C@@H](C)NCc2cc([O-])cc(F)c2)cn1 ZINC000547436107 393115800 /nfs/dbraw/zinc/11/58/00/393115800.db2.gz VSAXIYNBRUHVGH-LLVKDONJSA-N -1 3 277.343 3.160 20 0 CGADHM CCC1(CC)CN(C(=O)c2ccccc2[O-])CCS1 ZINC000274291915 393283379 /nfs/dbraw/zinc/28/33/79/393283379.db2.gz FGMZVQKCUXUAAT-UHFFFAOYSA-N -1 3 279.405 3.140 20 0 CGADHM Cc1noc(C)c1[N-]C(=O)c1coc2cc(F)ccc12 ZINC000355282056 393289258 /nfs/dbraw/zinc/28/92/58/393289258.db2.gz YEJJECYSHVZRHF-UHFFFAOYSA-N -1 3 274.251 3.429 20 0 CGADHM O=C(N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)c1cccc([O-])c1 ZINC000355398940 393304586 /nfs/dbraw/zinc/30/45/86/393304586.db2.gz KVCVFDFPHKJDKN-KCQAQPDRSA-N -1 3 273.376 3.481 20 0 CGADHM Cc1ccc([O-])c(CNc2cccc3ccn(C)c32)n1 ZINC000471803178 393307273 /nfs/dbraw/zinc/30/72/73/393307273.db2.gz FZIBPBSBBPQAHZ-UHFFFAOYSA-N -1 3 267.332 3.199 20 0 CGADHM CCCc1cc(=O)[n-]c(C(=Cc2cc(C)nn2C)CC)n1 ZINC000416392697 393308157 /nfs/dbraw/zinc/30/81/57/393308157.db2.gz SXEBRMLXBXRRKZ-XFXZXTDPSA-N -1 3 286.379 3.127 20 0 CGADHM O=C(N[C@@H](C1CCC1)C1CCCC1)c1cccc([O-])c1 ZINC000649006445 393316656 /nfs/dbraw/zinc/31/66/56/393316656.db2.gz LEOXYJKXGMLUQK-MRXNPFEDSA-N -1 3 273.376 3.481 20 0 CGADHM CC(C)CCN(C(=O)c1csc(=O)[n-]1)C1CCCC1 ZINC000471967788 393324829 /nfs/dbraw/zinc/32/48/29/393324829.db2.gz DAXRKGOQGTUUDD-UHFFFAOYSA-N -1 3 282.409 3.280 20 0 CGADHM C[C@@H]1[C@H](C(F)(F)F)CCN1Cc1cc([O-])cc(F)c1 ZINC000355227924 393270633 /nfs/dbraw/zinc/27/06/33/393270633.db2.gz WJKDODUWFBVWOH-PRHODGIISA-N -1 3 277.261 3.304 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)c1cc(C)ccc1C ZINC000649233748 393380724 /nfs/dbraw/zinc/38/07/24/393380724.db2.gz CAGDYCGOXSIJDT-UHFFFAOYSA-N -1 3 271.364 3.133 20 0 CGADHM CO[C@H](C)CSCc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000419447325 393381591 /nfs/dbraw/zinc/38/15/91/393381591.db2.gz AVKLEQBDMZKZFL-LLVKDONJSA-N -1 3 290.388 3.117 20 0 CGADHM CCCn1c(=O)[n-]nc1SCCc1c(F)cccc1F ZINC000647114774 393341012 /nfs/dbraw/zinc/34/10/12/393341012.db2.gz VFDUKSWLEHOJSO-UHFFFAOYSA-N -1 3 299.346 3.007 20 0 CGADHM C[C@H]1[C@H](C(=O)Nc2ccccc2[O-])CCN1c1ccccc1 ZINC000356153191 393362133 /nfs/dbraw/zinc/36/21/33/393362133.db2.gz SRCUJRROQFBATJ-DZGCQCFKSA-N -1 3 296.370 3.246 20 0 CGADHM O=C(c1cccc([O-])c1)N1CCCC[C@H]1C1CCC1 ZINC000649198199 393371418 /nfs/dbraw/zinc/37/14/18/393371418.db2.gz FDDUKMVWWGLSSX-HNNXBMFYSA-N -1 3 259.349 3.187 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)C1(C2CCC2)CCC1 ZINC000649229070 393376477 /nfs/dbraw/zinc/37/64/77/393376477.db2.gz LPALTZBSIDBMAN-UHFFFAOYSA-N -1 3 275.396 3.172 20 0 CGADHM CC[C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1[O-])[C@H](C)O ZINC000420132718 393430790 /nfs/dbraw/zinc/43/07/90/393430790.db2.gz ZHPIUBOWYXUBKR-CMPLNLGQSA-N -1 3 279.380 3.035 20 0 CGADHM Cc1cc(F)c(CNC[C@@H](CC2CC2)C(=O)[O-])c(Cl)c1 ZINC000649510796 393463524 /nfs/dbraw/zinc/46/35/24/393463524.db2.gz NHGJJCJWFPGMEA-LLVKDONJSA-N -1 3 299.773 3.378 20 0 CGADHM CC(C)CCC[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000488642492 393543693 /nfs/dbraw/zinc/54/36/93/393543693.db2.gz HFIHJZFQPIOARA-UHFFFAOYSA-N -1 3 293.791 3.194 20 0 CGADHM C[C@@H]1CN(Cc2cc([O-])cc(F)c2)Cc2ccccc2O1 ZINC000430141081 393528647 /nfs/dbraw/zinc/52/86/47/393528647.db2.gz WJGQYBJJMOBSDT-GFCCVEGCSA-N -1 3 287.334 3.314 20 0 CGADHM CC(C)(C)c1ccc(NC(=O)[C@](C)(O)C2CCC2)c([O-])c1 ZINC000488554047 393538313 /nfs/dbraw/zinc/53/83/13/393538313.db2.gz XUMOCIJPNWKXTG-QGZVFWFLSA-N -1 3 291.391 3.179 20 0 CGADHM CC(C)[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cccs1 ZINC000488798619 393556169 /nfs/dbraw/zinc/55/61/69/393556169.db2.gz VIPPAPPPFMFLFX-NEPJUHHUSA-N -1 3 287.450 3.241 20 0 CGADHM COC(=O)c1cnc(SC[C@H]2CCC[C@@H](C)C2)[n-]1 ZINC000432667286 393625981 /nfs/dbraw/zinc/62/59/81/393625981.db2.gz LQOUPVLORZRBJR-ZJUUUORDSA-N -1 3 268.382 3.115 20 0 CGADHM Cc1ccc([O-])c(CN2CCC[C@@H](C(F)(F)F)[C@H]2C)n1 ZINC000361141358 393683128 /nfs/dbraw/zinc/68/31/28/393683128.db2.gz NVJXJTLZIKAJRB-GHMZBOCLSA-N -1 3 288.313 3.258 20 0 CGADHM COc1cc(C(=O)N[C@@H]2CCCC[C@H]2C(C)C)ccc1[O-] ZINC000442956726 393740489 /nfs/dbraw/zinc/74/04/89/393740489.db2.gz KIAWQHGKCAWZJD-UONOGXRCSA-N -1 3 291.391 3.345 20 0 CGADHM Cc1cccnc1/C=C\C(=O)Nc1c(C)cccc1[O-] ZINC000492578124 393756803 /nfs/dbraw/zinc/75/68/03/393756803.db2.gz CWVDWXGWQTXVHM-HJWRWDBZSA-N -1 3 268.316 3.056 20 0 CGADHM CC[C@@H]1Cc2ccccc2CN1C(=O)c1ccccc1[O-] ZINC000436745706 393717477 /nfs/dbraw/zinc/71/74/77/393717477.db2.gz VPHFPDSTZSNWKD-OAHLLOKOSA-N -1 3 281.355 3.369 20 0 CGADHM O=C([O-])CCCN1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000443637356 393768526 /nfs/dbraw/zinc/76/85/26/393768526.db2.gz FXOFWRYGHNJKSB-LBPRGKRZSA-N -1 3 297.782 3.048 20 0 CGADHM Cc1ccc([O-])c(C(=O)NCC2(c3ccc(F)cc3)CC2)c1 ZINC000500100274 393817242 /nfs/dbraw/zinc/81/72/42/393817242.db2.gz XZCMNBLTMAZQBA-UHFFFAOYSA-N -1 3 299.345 3.301 20 0 CGADHM CC(C)CC[C@H]([N-]S(=O)(=O)c1ccco1)C(C)(C)C ZINC000445713147 393818187 /nfs/dbraw/zinc/81/81/87/393818187.db2.gz AKWHSJARSSCSPQ-LBPRGKRZSA-N -1 3 287.425 3.409 20 0 CGADHM COC[C@H](C)CC(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000501996007 393866311 /nfs/dbraw/zinc/86/63/11/393866311.db2.gz TXEYWTILZNLGKG-LLVKDONJSA-N -1 3 279.380 3.301 20 0 CGADHM CCCC[C@@H](CCC)NC(=O)c1cc(F)cc2nn[n-]c21 ZINC000502978915 393888963 /nfs/dbraw/zinc/88/89/63/393888963.db2.gz CJJBGIDAMWIKNC-LLVKDONJSA-N -1 3 292.358 3.186 20 0 CGADHM CCCC[C@@H](CCC)NC(=O)c1cc(F)cc2[n-]nnc21 ZINC000502978915 393888966 /nfs/dbraw/zinc/88/89/66/393888966.db2.gz CJJBGIDAMWIKNC-LLVKDONJSA-N -1 3 292.358 3.186 20 0 CGADHM CCCC[C@@H](CCC)NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000502978915 393888970 /nfs/dbraw/zinc/88/89/70/393888970.db2.gz CJJBGIDAMWIKNC-LLVKDONJSA-N -1 3 292.358 3.186 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)N[C@@H]1C[C@@H]1C1CCCCC1 ZINC000449946217 393948758 /nfs/dbraw/zinc/94/87/58/393948758.db2.gz VQAQBWDYTKSLGZ-UKRRQHHQSA-N -1 3 291.366 3.159 20 0 CGADHM CC[C@H]1CCCCCN1C(=O)Cc1ccc([O-])c(F)c1 ZINC000449968183 393952534 /nfs/dbraw/zinc/95/25/34/393952534.db2.gz NCPJXXOEBBKHLI-ZDUSSCGKSA-N -1 3 279.355 3.255 20 0 CGADHM O=C(C[C@@H]1CC[C@@H]2C[C@@H]21)N1CCCc2cccc([O-])c21 ZINC000450511791 394009145 /nfs/dbraw/zinc/00/91/45/394009145.db2.gz NTBVGXRDLLGEGO-RDBSUJKOSA-N -1 3 271.360 3.108 20 0 CGADHM O=C(CCc1ccc2ccccc2c1[O-])N1CC[C@@H]1C1CC1 ZINC000452487950 394070759 /nfs/dbraw/zinc/07/07/59/394070759.db2.gz NNTMBQJSFMYHKD-QGZVFWFLSA-N -1 3 295.382 3.489 20 0 CGADHM O=C(NCC1CCCCCC1)c1c[n-]c2ccccc2c1=O ZINC000452790622 394120968 /nfs/dbraw/zinc/12/09/68/394120968.db2.gz FUQUMNNIFFLNGI-UHFFFAOYSA-N -1 3 298.386 3.228 20 0 CGADHM CC(C)(C)C[C@@H]1CCN(C(=O)Cc2ccc([O-])c(F)c2)C1 ZINC000457097606 394319857 /nfs/dbraw/zinc/31/98/57/394319857.db2.gz YCDVGNPNDKJZIZ-ZDUSSCGKSA-N -1 3 293.382 3.359 20 0 CGADHM CC[C@@]1(C(C)C)C[C@@H]1NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000457263017 394338616 /nfs/dbraw/zinc/33/86/16/394338616.db2.gz DNUJSXJSJWIJRH-WMZOPIPTSA-N -1 3 298.386 3.083 20 0 CGADHM CSc1ccc([O-])c(C(=O)N(C(C)C)C2CC2)c1 ZINC000668151911 542976090 /nfs/dbraw/zinc/97/60/90/542976090.db2.gz SDOYORDCXOBVEO-UHFFFAOYSA-N -1 3 265.378 3.127 20 0 CGADHM Cc1ccc(C(=O)N2CC[C@@H](C3CCCC3)C2)c([O-])c1 ZINC000421649069 292061846 /nfs/dbraw/zinc/06/18/46/292061846.db2.gz CKUIGHWAKUUMSU-CQSZACIVSA-N -1 3 273.376 3.353 20 0 CGADHM Cc1ccc(C(=O)N2Cc3ccccc3O[C@@H](C)C2)c([O-])c1 ZINC000436686346 292070364 /nfs/dbraw/zinc/07/03/64/292070364.db2.gz GKNDZIAXYGJXBW-ZDUSSCGKSA-N -1 3 297.354 3.124 20 0 CGADHM COC(C)(C)C[C@@H](C)NC(=O)c1cc(SC)ccc1[O-] ZINC000669216609 543093902 /nfs/dbraw/zinc/09/39/02/543093902.db2.gz XFVGGFADJPLESY-SNVBAGLBSA-N -1 3 297.420 3.048 20 0 CGADHM CSc1ccc([O-])c(C(=O)N2C[C@@H](C)S[C@@H](C)C2)c1 ZINC000669277729 543098776 /nfs/dbraw/zinc/09/87/76/543098776.db2.gz YUXJRRBEENKAMO-AOOOYVTPSA-N -1 3 297.445 3.080 20 0 CGADHM CC(C)(C)c1ccc(NC(=O)c2nccs2)c([O-])c1 ZINC000669692903 543118917 /nfs/dbraw/zinc/11/89/17/543118917.db2.gz ZLWNELNLAUFMCW-UHFFFAOYSA-N -1 3 276.361 3.399 20 0 CGADHM CCc1cc(=O)[n-]c(-c2ccc(N3C[C@@H](C)C[C@@H]3C)nc2)n1 ZINC000674931974 543307484 /nfs/dbraw/zinc/30/74/84/543307484.db2.gz BXRXYGGCXNHQJP-RYUDHWBXSA-N -1 3 298.390 3.041 20 0 CGADHM CCC[C@H](C)[N-]S(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000675450376 543341441 /nfs/dbraw/zinc/34/14/41/543341441.db2.gz KTPPTDGERJJMMS-VIFPVBQESA-N -1 3 293.791 3.254 20 0 CGADHM CC(C)c1ccc(C(=O)N[C@@H]2CCC(F)(F)C2)c([O-])c1 ZINC000675708827 543356820 /nfs/dbraw/zinc/35/68/20/543356820.db2.gz LCKYAVBWYONUCA-LLVKDONJSA-N -1 3 283.318 3.433 20 0 CGADHM O=C(N[C@@H]1CCC(F)(F)C1)c1cc2c(cc1[O-])CCCC2 ZINC000675709038 543356678 /nfs/dbraw/zinc/35/66/78/543356678.db2.gz QLYXFOFXFFPRCX-GFCCVEGCSA-N -1 3 295.329 3.189 20 0 CGADHM O=C(Nc1ncccc1[O-])c1ccc(-c2ccco2)s1 ZINC000676029246 543377338 /nfs/dbraw/zinc/37/73/38/543377338.db2.gz BQJQMCQPMKIEDE-UHFFFAOYSA-N -1 3 286.312 3.361 20 0 CGADHM CC(C)CCN(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000735803677 572743150 /nfs/dbraw/zinc/74/31/50/572743150.db2.gz HSFQQCBMDKKPPV-UHFFFAOYSA-N -1 3 279.775 3.002 20 0 CGADHM CC(C)CCN(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000735803677 572743151 /nfs/dbraw/zinc/74/31/51/572743151.db2.gz HSFQQCBMDKKPPV-UHFFFAOYSA-N -1 3 279.775 3.002 20 0 CGADHM COc1ccccc1N(C)C(=O)c1ccc(C)c(C)c1[O-] ZINC000678309120 543513715 /nfs/dbraw/zinc/51/37/15/543513715.db2.gz UUAWJWPTBJLYSG-UHFFFAOYSA-N -1 3 285.343 3.294 20 0 CGADHM Cc1ccc([O-])c(CN2Cc3ccccc3C(F)(F)C2)n1 ZINC000678340993 543515849 /nfs/dbraw/zinc/51/58/49/543515849.db2.gz ZQKYMVOKOSEHHA-UHFFFAOYSA-N -1 3 290.313 3.203 20 0 CGADHM C[C@@H]1CO[C@@H](C)CN1Cc1cc([O-])cc(C(F)(F)F)c1 ZINC000356092684 297157064 /nfs/dbraw/zinc/15/70/64/297157064.db2.gz UOUCNBCVXGOXQC-ZJUUUORDSA-N -1 3 289.297 3.020 20 0 CGADHM C[C@@H](C(=O)N1CC[C@@H](C)c2cccc([O-])c21)C1CC1 ZINC000186272363 286758124 /nfs/dbraw/zinc/75/81/24/286758124.db2.gz SKRRQMHDWRZQON-GHMZBOCLSA-N -1 3 259.349 3.279 20 0 CGADHM COc1ccc([O-])c(C(=O)N(C)c2cc(C)cc(C)c2)c1 ZINC000048443211 286905308 /nfs/dbraw/zinc/90/53/08/286905308.db2.gz ZNDJGHBVPCGVEX-UHFFFAOYSA-N -1 3 285.343 3.294 20 0 CGADHM COc1ccc([O-])c(C(=O)N2CCC(C(C)(C)C)CC2)c1 ZINC000050348919 286931274 /nfs/dbraw/zinc/93/12/74/286931274.db2.gz SSWHBBIOGBUWET-UHFFFAOYSA-N -1 3 291.391 3.299 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CCc3ccc(F)cc32)c1 ZINC000058741432 286953172 /nfs/dbraw/zinc/95/31/72/286953172.db2.gz YEMHLCHFJDWSIG-UHFFFAOYSA-N -1 3 271.291 3.043 20 0 CGADHM Cc1cccc(C(=O)NCc2nc3ccccc3s2)c1[O-] ZINC000078227166 287045837 /nfs/dbraw/zinc/04/58/37/287045837.db2.gz JFIRDUJMZMMEPF-UHFFFAOYSA-N -1 3 298.367 3.240 20 0 CGADHM Cc1ccccc1OCCN(C)C(=O)c1cccc(C)c1[O-] ZINC000078572886 287049778 /nfs/dbraw/zinc/04/97/78/287049778.db2.gz ACQJAUQQNNXHNZ-UHFFFAOYSA-N -1 3 299.370 3.160 20 0 CGADHM Cc1cc(C)c(NC(=O)c2ccc3n[n-]nc3c2)c(C)c1 ZINC000082271737 287078092 /nfs/dbraw/zinc/07/80/92/287078092.db2.gz CHNAODMSTYRTDC-UHFFFAOYSA-N -1 3 280.331 3.135 20 0 CGADHM C[C@@H]1CCC[C@H](NC(=O)c2c[n-]c3ccccc3c2=O)[C@@H]1C ZINC000063680529 165029703 /nfs/dbraw/zinc/02/97/03/165029703.db2.gz PXCMVLFTMYGTKR-JMSVASOKSA-N -1 3 298.386 3.083 20 0 CGADHM CSc1ccc(NCc2nc(C)ccc2[O-])cc1 ZINC000091993474 165278488 /nfs/dbraw/zinc/27/84/88/165278488.db2.gz SHFNBPGUGOYKHK-UHFFFAOYSA-N -1 3 260.362 3.430 20 0 CGADHM Cc1ccc(C(=O)N(C)[C@@H](C)c2cccc(O)c2)c([O-])c1 ZINC000092602216 287112860 /nfs/dbraw/zinc/11/28/60/287112860.db2.gz ZSZHZZIKLKLRAV-LBPRGKRZSA-N -1 3 285.343 3.239 20 0 CGADHM COc1cccc(-c2nc(COc3ccccc3)no2)c1[O-] ZINC000109037562 287127487 /nfs/dbraw/zinc/12/74/87/287127487.db2.gz JGXGHILUWHCAGH-UHFFFAOYSA-N -1 3 298.298 3.030 20 0 CGADHM COc1ccc(Cc2noc(-c3cccc(C)c3[O-])n2)cc1 ZINC000109037777 287127606 /nfs/dbraw/zinc/12/76/06/287127606.db2.gz OMSXEVLTCBIUOA-UHFFFAOYSA-N -1 3 296.326 3.350 20 0 CGADHM Cc1ccnc(-c2nc3ccc(C(C)C)cc3c(=O)[n-]2)c1 ZINC000111665116 287135664 /nfs/dbraw/zinc/13/56/64/287135664.db2.gz GTBJFPYUEPVHTC-UHFFFAOYSA-N -1 3 279.343 3.417 20 0 CGADHM COc1cccc(-c2nc(C3CCCC3)no2)c1[O-] ZINC000111686579 287135946 /nfs/dbraw/zinc/13/59/46/287135946.db2.gz BRLYTECFFIONEF-UHFFFAOYSA-N -1 3 260.293 3.108 20 0 CGADHM Cc1conc1[N-]C(=O)c1cnc(-c2ccsc2)s1 ZINC000123675212 287223498 /nfs/dbraw/zinc/22/34/98/287223498.db2.gz SNUPYZXVXJXOAL-UHFFFAOYSA-N -1 3 291.357 3.420 20 0 CGADHM Cc1ccc(NC(=O)/C=C/c2cccc(F)c2)c([O-])c1 ZINC000008378848 170333595 /nfs/dbraw/zinc/33/35/95/170333595.db2.gz SQYCBQYKPCJAHV-SOFGYWHQSA-N -1 3 271.291 3.492 20 0 CGADHM CS[C@@H](C)CC(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000125901876 287252718 /nfs/dbraw/zinc/25/27/18/287252718.db2.gz TYYFHBUQGYBRDZ-ZETCQYMHSA-N -1 3 293.310 3.491 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CCC[C@@H]3CCCC[C@H]32)c1 ZINC000035219104 172059967 /nfs/dbraw/zinc/05/99/67/172059967.db2.gz IUMMCYFACDVYDF-DZGCQCFKSA-N -1 3 273.376 3.495 20 0 CGADHM CN(Cc1cccs1)Cc1ccc(C(=O)[O-])cc1 ZINC000035717863 172372533 /nfs/dbraw/zinc/37/25/33/172372533.db2.gz WWFHBWRMCSUOLZ-UHFFFAOYSA-N -1 3 261.346 3.078 20 0 CGADHM COCCCO[N-]C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000285528479 196316651 /nfs/dbraw/zinc/31/66/51/196316651.db2.gz FINNIPRERKYPOY-UHFFFAOYSA-N -1 3 293.150 3.083 20 0 CGADHM Cc1oc(C(C)C)nc1C(=O)Nc1c(C)cccc1[O-] ZINC000285782720 196397916 /nfs/dbraw/zinc/39/79/16/196397916.db2.gz KHBLVPIKVSFYFS-UHFFFAOYSA-N -1 3 274.320 3.373 20 0 CGADHM C[C@H]1CCN(C(=O)NCc2ccc([O-])c(F)c2)C[C@H](C)C1 ZINC000127889503 287298272 /nfs/dbraw/zinc/29/82/72/287298272.db2.gz FXRBFSZHSQAJAO-NWDGAFQWSA-N -1 3 294.370 3.109 20 0 CGADHM Cc1cccc([O-])c1NC(=O)[C@H]1CCC[C@H](F)C1 ZINC000335083254 292571249 /nfs/dbraw/zinc/57/12/49/292571249.db2.gz IADRSZWGXJIGFW-QWRGUYRKSA-N -1 3 251.301 3.167 20 0 CGADHM O=C(Nc1cccc([O-])c1F)c1cccc2[nH]ccc21 ZINC000128207446 287305643 /nfs/dbraw/zinc/30/56/43/287305643.db2.gz UVVAYCVIMILGPX-UHFFFAOYSA-N -1 3 270.263 3.265 20 0 CGADHM CN(C)C(=O)c1cccc(-c2cc([O-])cc(Cl)c2)c1 ZINC000065343517 175713269 /nfs/dbraw/zinc/71/32/69/175713269.db2.gz NMQMTHGOBIXNHX-UHFFFAOYSA-N -1 3 275.735 3.414 20 0 CGADHM Cc1ccc(C(=O)Nc2cccc([O-])c2F)cc1F ZINC000128740158 287317315 /nfs/dbraw/zinc/31/73/15/287317315.db2.gz DWFACNYGYCOSCE-UHFFFAOYSA-N -1 3 263.243 3.231 20 0 CGADHM CN(CCC(=O)[O-])Cc1cccc(OCc2ccccc2)c1 ZINC000077010619 177146336 /nfs/dbraw/zinc/14/63/36/177146336.db2.gz HJCQTCJXMRIEBZ-UHFFFAOYSA-N -1 3 299.370 3.172 20 0 CGADHM CC(=O)[C@H](C)CCCCC(=O)Nc1cccc([O-])c1F ZINC000129392973 287330463 /nfs/dbraw/zinc/33/04/63/287330463.db2.gz WPAPGCUHSSGPIF-SNVBAGLBSA-N -1 3 281.327 3.255 20 0 CGADHM Cc1ccc(-c2cc(-c3nc([C@@H]4C[C@H]4C)no3)n[n-]2)o1 ZINC000680770027 543732794 /nfs/dbraw/zinc/73/27/94/543732794.db2.gz AORFKUQGQXCTOI-VXNVDRBHSA-N -1 3 270.292 3.152 20 0 CGADHM Cc1ccc(-c2cc(-c3nc([C@@H]4C[C@H]4C)no3)[n-]n2)o1 ZINC000680770027 543732797 /nfs/dbraw/zinc/73/27/97/543732797.db2.gz AORFKUQGQXCTOI-VXNVDRBHSA-N -1 3 270.292 3.152 20 0 CGADHM O=C([O-])c1ccccc1C1CCN(Cc2cccnc2)CC1 ZINC000682184682 543834882 /nfs/dbraw/zinc/83/48/82/543834882.db2.gz DDUUGVDVAJDVKQ-UHFFFAOYSA-N -1 3 296.370 3.159 20 0 CGADHM C[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)C1CCC1 ZINC000682516839 543849562 /nfs/dbraw/zinc/84/95/62/543849562.db2.gz OCYKMKPSARZPKS-NSHDSACASA-N -1 3 279.355 3.159 20 0 CGADHM Cc1ccc(NC(=O)[C@@H]2Cc3ccc(F)cc32)c([O-])c1 ZINC000684358109 543984318 /nfs/dbraw/zinc/98/43/18/543984318.db2.gz MZSSQMHHMNFDCP-CYBMUJFWSA-N -1 3 271.291 3.118 20 0 CGADHM C[C@@H](c1ccccc1F)N(C)Cc1ncccc1[O-] ZINC000685409911 544065194 /nfs/dbraw/zinc/06/51/94/544065194.db2.gz FWNLCKSWSCAZCP-NSHDSACASA-N -1 3 260.312 3.119 20 0 CGADHM O=C([N-]c1ccncc1F)c1cc2cc(F)ccc2o1 ZINC000132317861 287401227 /nfs/dbraw/zinc/40/12/27/287401227.db2.gz XRYBIRVOJCNDAQ-UHFFFAOYSA-N -1 3 274.226 3.358 20 0 CGADHM C[C@H]1CC[C@H](C)N(Cc2csc(C(=O)[O-])c2)C1 ZINC000652418926 418965312 /nfs/dbraw/zinc/96/53/12/418965312.db2.gz VBWNWMVIXRBSRG-UWVGGRQHSA-N -1 3 253.367 3.067 20 0 CGADHM Cc1oc(CN(C)[C@@H]2C[C@H]2c2ccccc2)cc1C(=O)[O-] ZINC000652441395 418968807 /nfs/dbraw/zinc/96/88/07/418968807.db2.gz JRVHKHRIIFMZKS-JKSUJKDBSA-N -1 3 285.343 3.274 20 0 CGADHM C[C@@H]1CCC[C@H](C)N1Cc1csc(C(=O)[O-])c1 ZINC000652366988 418958482 /nfs/dbraw/zinc/95/84/82/418958482.db2.gz BLNZJAQOVLJVHT-AOOOYVTPSA-N -1 3 253.367 3.209 20 0 CGADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H](CC)C3CC3)nc2)n1 ZINC000664439360 418959287 /nfs/dbraw/zinc/95/92/87/418959287.db2.gz WLXQSZWIUSRGOK-AWEZNQCLSA-N -1 3 298.390 3.407 20 0 CGADHM Cc1ccnc([C@@H]2CCN(C(=O)c3ccc([O-])c(C)c3)C2)c1 ZINC000655133432 419024241 /nfs/dbraw/zinc/02/42/41/419024241.db2.gz RHEZGPMQELENDD-OAHLLOKOSA-N -1 3 296.370 3.034 20 0 CGADHM O=C(c1ccc2n[n-]nc2c1)N1CCC[C@H]1CC1CCCC1 ZINC000655368825 419044544 /nfs/dbraw/zinc/04/45/44/419044544.db2.gz YJAQSQBRXFLYSJ-AWEZNQCLSA-N -1 3 298.390 3.143 20 0 CGADHM CC[C@H](OCCNC(=O)c1cccc([O-])c1)c1ccccc1 ZINC000652754397 418990056 /nfs/dbraw/zinc/99/00/56/418990056.db2.gz HKVABPYZIYODLR-KRWDZBQOSA-N -1 3 299.370 3.290 20 0 CGADHM CN(Cc1cc(Cl)cc(Cl)c1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000659801553 418995309 /nfs/dbraw/zinc/99/53/09/418995309.db2.gz GRJFGQRHWLTGFS-WVSHTKLVSA-N -1 3 288.174 3.288 20 0 CGADHM O=C(NC1CC2(CCC2)C1)c1cc([O-])ccc1Cl ZINC000652969657 419004740 /nfs/dbraw/zinc/00/47/40/419004740.db2.gz KEMICMNIFPXHFU-UHFFFAOYSA-N -1 3 265.740 3.108 20 0 CGADHM Cc1cc(=O)[n-]c(C(C)(C)NCc2cccc(Cl)c2)n1 ZINC000660743675 419188589 /nfs/dbraw/zinc/18/85/89/419188589.db2.gz FZXLYEZEYGEECV-UHFFFAOYSA-N -1 3 291.782 3.169 20 0 CGADHM CCc1cnc(C=Cc2cc(=O)[n-]c(C3CC3)n2)s1 ZINC000666087309 419189112 /nfs/dbraw/zinc/18/91/12/419189112.db2.gz CLDCTXPSYKRKEU-WAYWQWQTSA-N -1 3 273.361 3.249 20 0 CGADHM Cc1cccc(CC2CN(Cc3nc(C)ccc3[O-])C2)c1 ZINC000656648239 419190812 /nfs/dbraw/zinc/19/08/12/419190812.db2.gz RJYOAMXMDWVIIF-UHFFFAOYSA-N -1 3 282.387 3.079 20 0 CGADHM CCCn1c(=O)[n-]nc1SCc1ccsc1Cl ZINC000657231609 419233435 /nfs/dbraw/zinc/23/34/35/419233435.db2.gz HDVUMCCCUPUKGV-UHFFFAOYSA-N -1 3 289.813 3.401 20 0 CGADHM CCCCn1c(=O)[n-]nc1SC[C@H](OC)C1CCCC1 ZINC000657234951 419234736 /nfs/dbraw/zinc/23/47/36/419234736.db2.gz WHBBMVKPROSYAU-LBPRGKRZSA-N -1 3 299.440 3.081 20 0 CGADHM CCn1ccc(NCc2cc([O-])cc(C(F)(F)F)c2)n1 ZINC000657615096 419314756 /nfs/dbraw/zinc/31/47/56/419314756.db2.gz CAKFDUZYOYNBIO-UHFFFAOYSA-N -1 3 285.269 3.240 20 0 CGADHM Cc1csc([N-]C(=O)c2cc(COC(C)(C)C)on2)n1 ZINC000184620777 287548136 /nfs/dbraw/zinc/54/81/36/287548136.db2.gz FNKONPADOBOFQM-UHFFFAOYSA-N -1 3 295.364 3.007 20 0 CGADHM CCCn1nccc1C=Cc1cc(=O)[n-]c(C(C)(C)C)n1 ZINC000663230624 419524835 /nfs/dbraw/zinc/52/48/35/419524835.db2.gz WSEGWTMKIGAYKW-VOTSOKGWSA-N -1 3 286.379 3.257 20 0 CGADHM Cc1c2ccccc2nc(CN2CC3CC2(C)C3)c1C(=O)[O-] ZINC000663315740 419551231 /nfs/dbraw/zinc/55/12/31/419551231.db2.gz ODIJHZABYADKFV-UHFFFAOYSA-N -1 3 296.370 3.226 20 0 CGADHM CC(C)c1cccc(CN2CCSC[C@@H]2CC(=O)[O-])c1 ZINC000663317316 419552124 /nfs/dbraw/zinc/55/21/24/419552124.db2.gz LOWJYLLMKOCGLK-HNNXBMFYSA-N -1 3 293.432 3.202 20 0 CGADHM Cc1ccc(C[C@H](C)NC(=O)c2ccc([O-])c(C)c2)s1 ZINC000226997841 287636379 /nfs/dbraw/zinc/63/63/79/287636379.db2.gz RYBARXDRTCPRGK-NSHDSACASA-N -1 3 289.400 3.432 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-]c2c(C)cccc2F)cc1F ZINC000180744856 260109770 /nfs/dbraw/zinc/10/97/70/260109770.db2.gz QQHCRRXBGBLECR-UHFFFAOYSA-N -1 3 297.326 3.382 20 0 CGADHM [O-]c1ccccc1-c1nc(-c2ccc3c(n2)CCCC3)no1 ZINC000390451356 262194005 /nfs/dbraw/zinc/19/40/05/262194005.db2.gz DLYSKYDFHVDUSR-UHFFFAOYSA-N -1 3 293.326 3.383 20 0 CGADHM COc1ccc(Cc2nc(-c3ccc([O-])cc3)no2)cc1 ZINC000020432802 262250420 /nfs/dbraw/zinc/25/04/20/262250420.db2.gz QOGXPCLVRMPLGE-UHFFFAOYSA-N -1 3 282.299 3.042 20 0 CGADHM Cc1cccc(C(=O)N(CC(C)C)CC(C)C)c1[O-] ZINC000041638419 270031130 /nfs/dbraw/zinc/03/11/30/270031130.db2.gz JJEFNRMTJMVHHQ-UHFFFAOYSA-N -1 3 263.381 3.455 20 0 CGADHM COc1ccc(C(=O)N2CCc3ccccc3[C@H]2C)c([O-])c1 ZINC000106682364 270049462 /nfs/dbraw/zinc/04/94/62/270049462.db2.gz FYVGMPIZGHFUBW-GFCCVEGCSA-N -1 3 297.354 3.160 20 0 CGADHM CCc1cccc(CC(=O)Nc2c(C)cccc2[O-])c1 ZINC000183029062 270054813 /nfs/dbraw/zinc/05/48/13/270054813.db2.gz GEXHPCXTAKDHFK-UHFFFAOYSA-N -1 3 269.344 3.444 20 0 CGADHM Cc1cccc([O-])c1NC(=O)/C=C/c1ccc(Cl)nc1 ZINC000183069497 270055061 /nfs/dbraw/zinc/05/50/61/270055061.db2.gz XYFNYOFJFABNMJ-SOFGYWHQSA-N -1 3 288.734 3.401 20 0 CGADHM O=C(/C=C/c1c(F)cccc1F)Nc1ccc([O-])cc1F ZINC000183282616 270055409 /nfs/dbraw/zinc/05/54/09/270055409.db2.gz SEYIDUUVKYPHTC-FNORWQNLSA-N -1 3 293.244 3.461 20 0 CGADHM [O-]c1cc(F)cc(-c2nc3cc(Cl)cnc3[nH]2)c1 ZINC000184589043 270058855 /nfs/dbraw/zinc/05/88/55/270058855.db2.gz UCHZVPJNEHHQPW-UHFFFAOYSA-N -1 3 263.659 3.123 20 0 CGADHM Cn1c2ccc(F)cc2nc1-c1cc([O-])cc(F)c1 ZINC000184587034 270059223 /nfs/dbraw/zinc/05/92/23/270059223.db2.gz XWYDPVWLZJKTIP-UHFFFAOYSA-N -1 3 260.243 3.224 20 0 CGADHM CC(C)COC1CCN(Cc2ccccc2C(=O)[O-])CC1 ZINC000519412646 265421426 /nfs/dbraw/zinc/42/14/26/265421426.db2.gz FOBJQACYKRJNTC-UHFFFAOYSA-N -1 3 291.391 3.022 20 0 CGADHM Cc1ccc(-c2cc(C(=O)N(C)c3ccccc3)n[n-]2)o1 ZINC000193121579 270078736 /nfs/dbraw/zinc/07/87/36/270078736.db2.gz VATLUPUNZBQVJP-UHFFFAOYSA-N -1 3 281.315 3.255 20 0 CGADHM Cc1ccc(-c2cc(C(=O)N(C)c3ccccc3)[n-]n2)o1 ZINC000193121579 270078737 /nfs/dbraw/zinc/07/87/37/270078737.db2.gz VATLUPUNZBQVJP-UHFFFAOYSA-N -1 3 281.315 3.255 20 0 CGADHM Cc1ccc(C)c(NC(=O)/C=C/c2cncc([O-])c2)c1 ZINC000179378946 265752509 /nfs/dbraw/zinc/75/25/09/265752509.db2.gz HVNXACAHXGIRTH-AATRIKPKSA-N -1 3 268.316 3.056 20 0 CGADHM C[C@@H]1CCN(Cc2cc(F)ccc2Cl)[C@@H](C(=O)[O-])C1 ZINC000219302533 270085891 /nfs/dbraw/zinc/08/58/91/270085891.db2.gz GAUQNZSIEPDMEY-NOZJJQNGSA-N -1 3 285.746 3.164 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2C[C@H](C)C[C@@H](C)[C@H]2C)c1 ZINC000229426814 270088153 /nfs/dbraw/zinc/08/81/53/270088153.db2.gz FROMTFKKYJPZQC-JHJVBQTASA-N -1 3 261.365 3.207 20 0 CGADHM CCc1ccc([O-])c(C(=O)N(C)Cc2cccc(OC)c2)c1 ZINC000523322610 270108336 /nfs/dbraw/zinc/10/83/36/270108336.db2.gz AATCFGZSAVMIMG-UHFFFAOYSA-N -1 3 299.370 3.235 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)[C@H](C)C(F)(F)F)c1[O-] ZINC000525242033 270118291 /nfs/dbraw/zinc/11/82/91/270118291.db2.gz HBWPWCWXUVTAMI-LURJTMIESA-N -1 3 281.661 3.491 20 0 CGADHM CCCCCc1nnc([N-]C(=O)c2cocc2C)s1 ZINC000528123768 270154882 /nfs/dbraw/zinc/15/48/82/270154882.db2.gz DAYFQXCYXZVITC-UHFFFAOYSA-N -1 3 279.365 3.425 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)[C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)c1[O-] ZINC000528902415 270175564 /nfs/dbraw/zinc/17/55/64/270175564.db2.gz CDJSIAGLDYRDQC-QYTUQVAYSA-N -1 3 297.782 3.352 20 0 CGADHM C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000528905577 270175595 /nfs/dbraw/zinc/17/55/95/270175595.db2.gz XFLGBDPHJOSXNO-YDEXJTGXSA-N -1 3 283.755 3.044 20 0 CGADHM C[C@@H]1[C@H](C(=O)Nc2ccc(Cl)cc2[O-])[C@H]1C1CC1 ZINC000528905583 270175631 /nfs/dbraw/zinc/17/56/31/270175631.db2.gz XFZFHJJQKHMJKE-YLJLNXRRSA-N -1 3 265.740 3.276 20 0 CGADHM COc1ccc(NC(=O)[N-]OCC2CC2)c2ccccc12 ZINC000529255569 270178954 /nfs/dbraw/zinc/17/89/54/270178954.db2.gz LPNQLLDUJYDQNN-UHFFFAOYSA-N -1 3 286.331 3.312 20 0 CGADHM O=C([O-])[C@@H]1c2ccoc2CCN1CCC1CCCCC1 ZINC000530166414 270195460 /nfs/dbraw/zinc/19/54/60/270195460.db2.gz MMIQZDWYAAVQMG-HNNXBMFYSA-N -1 3 277.364 3.234 20 0 CGADHM Cc1oc(CN(C)CC2CC(C)(C)C2)cc1C(=O)[O-] ZINC000530164200 270195477 /nfs/dbraw/zinc/19/54/77/270195477.db2.gz VQGNBTADSMSYPO-UHFFFAOYSA-N -1 3 265.353 3.154 20 0 CGADHM Cc1nc2cc(NC(=O)c3ccc(C)cc3[O-])ccc2n1C ZINC000532056816 270213141 /nfs/dbraw/zinc/21/31/41/270213141.db2.gz WGFVKPQZTKWYPM-UHFFFAOYSA-N -1 3 295.342 3.148 20 0 CGADHM CC1(c2ccccc2)CC(NC(=O)c2ccccc2[O-])C1 ZINC000436486219 276172855 /nfs/dbraw/zinc/17/28/55/276172855.db2.gz INYILUGIMIWZMG-UHFFFAOYSA-N -1 3 281.355 3.242 20 0 CGADHM COc1cccc(-c2nc(Cc3ccc(C)cc3)no2)c1[O-] ZINC000315757406 287944190 /nfs/dbraw/zinc/94/41/90/287944190.db2.gz YALFDNLFIDARMS-UHFFFAOYSA-N -1 3 296.326 3.350 20 0 CGADHM CC(C)c1scnc1[N-]C(=O)c1noc2c1CCCC2 ZINC000288835657 278119597 /nfs/dbraw/zinc/11/95/97/278119597.db2.gz LGRBCDJKXCFMFW-UHFFFAOYSA-N -1 3 291.376 3.386 20 0 CGADHM C[C@@H]1CN(C(=O)c2cc([O-])ccc2Cl)CCC1(F)F ZINC000290942399 288019464 /nfs/dbraw/zinc/01/94/64/288019464.db2.gz OPLAMLQEDYMVIF-MRVPVSSYSA-N -1 3 289.709 3.163 20 0 CGADHM C[C@@H](NC(=O)c1csc(=O)[n-]1)[C@@H](C)C1CCCCC1 ZINC000527457701 288169079 /nfs/dbraw/zinc/16/90/79/288169079.db2.gz BFODCGTVRFVPHD-NXEZZACHSA-N -1 3 282.409 3.183 20 0 CGADHM O=C([N-]c1cc(F)cc(F)c1F)c1noc2c1CCCC2 ZINC000294708982 280009103 /nfs/dbraw/zinc/00/91/03/280009103.db2.gz VTNXVZPBTPAYEO-UHFFFAOYSA-N -1 3 296.248 3.223 20 0 CGADHM O=C([N-]c1nc2c(s1)CCCC2)c1nc(Cl)cs1 ZINC000278908275 280057355 /nfs/dbraw/zinc/05/73/55/280057355.db2.gz GMHSPJLVTDNLHR-UHFFFAOYSA-N -1 3 299.808 3.384 20 0 CGADHM C[C@H]1[C@@H](C(=O)N2CC[C@@H](C)c3cccc([O-])c32)C1(F)F ZINC000468862210 280093992 /nfs/dbraw/zinc/09/39/92/280093992.db2.gz DNLXCWKCZSVKCL-PTRXPTGYSA-N -1 3 281.302 3.134 20 0 CGADHM O=c1[n-]c(-c2cncs2)nc2ccc(Cl)cc12 ZINC000426122800 280454986 /nfs/dbraw/zinc/45/49/86/280454986.db2.gz JXQJQXBAKFCMEZ-UHFFFAOYSA-N -1 3 263.709 3.112 20 0 CGADHM C[C@@H]1[C@@H](C(=O)Nc2c([O-])cccc2Cl)[C@@H]1C1CC1 ZINC000529422954 288245581 /nfs/dbraw/zinc/24/55/81/288245581.db2.gz CLCQCAOQNNRNEM-CQFDHEJISA-N -1 3 265.740 3.276 20 0 CGADHM CC/C=C\CCN1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC000530170536 288291749 /nfs/dbraw/zinc/29/17/49/288291749.db2.gz TTZQGOUPJXTKRP-ARJAWSKDSA-N -1 3 277.339 3.238 20 0 CGADHM CCc1c(C)nc2ccccc2c1N1CC[C@H](C(=O)[O-])C1 ZINC000263488764 281368444 /nfs/dbraw/zinc/36/84/44/281368444.db2.gz IAWKTZWUZPXUHX-LBPRGKRZSA-N -1 3 284.359 3.017 20 0 CGADHM CCc1ccc(C(=O)N2C[C@@H]3CCCC[C@@H]3C2)c([O-])c1 ZINC000188265859 281399059 /nfs/dbraw/zinc/39/90/59/281399059.db2.gz OOFPAHGJTBKTPB-OKILXGFUSA-N -1 3 273.376 3.217 20 0 CGADHM CCc1cccc(C(=O)NC2CCC(F)(F)CC2)c1[O-] ZINC000536461361 288481777 /nfs/dbraw/zinc/48/17/77/288481777.db2.gz WPMBLIFUPYXMOE-UHFFFAOYSA-N -1 3 283.318 3.262 20 0 CGADHM [O-]c1cc2c(cc1-c1nc(CC3CC3)no1)CCCC2 ZINC000542708398 288768176 /nfs/dbraw/zinc/76/81/76/288768176.db2.gz SRFTZAKOPCTGEJ-UHFFFAOYSA-N -1 3 270.332 3.274 20 0 CGADHM CC(C)Cn1cc(C=Cc2cc(=O)[n-]c(C3CC3)n2)cn1 ZINC000554390572 289280988 /nfs/dbraw/zinc/28/09/88/289280988.db2.gz XYEXWSJMFZCJBU-UTCJRWHESA-N -1 3 284.363 3.083 20 0 CGADHM CC(C)(c1nc(-c2ccc3n[n-]nc3c2)no1)C1CCCC1 ZINC000558891936 289525698 /nfs/dbraw/zinc/52/56/98/289525698.db2.gz MLRGWOXQPXKENB-UHFFFAOYSA-N -1 3 297.362 3.476 20 0 CGADHM Cc1ccc(-c2csc3[n-]c(CO)nc(=O)c23)c(C)c1 ZINC000337764087 301467814 /nfs/dbraw/zinc/46/78/14/301467814.db2.gz RBWGWTYQLYSYCM-UHFFFAOYSA-N -1 3 286.356 3.173 20 0 CGADHM Cc1ccc2nccc(NCCCCCC(=O)[O-])c2c1 ZINC000416426196 301873260 /nfs/dbraw/zinc/87/32/60/301873260.db2.gz LHIQETXIEOGXJS-UHFFFAOYSA-N -1 3 272.348 3.022 20 0 CGADHM CC(C)[C@@H](C)C(=O)Nc1cc(Br)ccc1[O-] ZINC000176190087 327783789 /nfs/dbraw/zinc/78/37/89/327783789.db2.gz AJPAZDCSNHJYFJ-MRVPVSSYSA-N -1 3 286.169 3.385 20 0 CGADHM CC[C@@](C)(NC(=O)c1ccc(C)cc1[O-])c1nccs1 ZINC000154105711 321734909 /nfs/dbraw/zinc/73/49/09/321734909.db2.gz NSRLZSJUJLZZHH-OAHLLOKOSA-N -1 3 290.388 3.212 20 0 CGADHM O=C(Nc1ccc([O-])cc1F)c1noc2c1CCCCC2 ZINC000157504249 321797752 /nfs/dbraw/zinc/79/77/52/321797752.db2.gz VTDBJUIXMABGOD-UHFFFAOYSA-N -1 3 290.294 3.041 20 0 CGADHM O=C(Nc1ccccc1[O-])c1cc(F)cc2cccnc21 ZINC000161715641 321872356 /nfs/dbraw/zinc/87/23/56/321872356.db2.gz OSXGYQPRLXLEEM-UHFFFAOYSA-N -1 3 282.274 3.332 20 0 CGADHM c1[nH]nc2ncnc([N-]c3nc(-c4ccccc4)cs3)c12 ZINC000163084125 321890536 /nfs/dbraw/zinc/89/05/36/321890536.db2.gz VGVNRPNADZTCIO-UHFFFAOYSA-N -1 3 294.343 3.220 20 0 CGADHM CC[C@H](CC(F)F)C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000563812709 322011075 /nfs/dbraw/zinc/01/10/75/322011075.db2.gz GYCMZDRSUKBCAR-SECBINFHSA-N -1 3 285.290 3.215 20 0 CGADHM Cc1ccc(CN[C@@H](CC(=O)[O-])c2ccncc2)c(C)c1 ZINC000563821336 322011869 /nfs/dbraw/zinc/01/18/69/322011869.db2.gz RUOUGGCRISXAGR-INIZCTEOSA-N -1 3 284.359 3.004 20 0 CGADHM CCC[C@H]1CCCC[C@H]1CNC(=O)Cc1cncc([O-])c1 ZINC000565435345 322078039 /nfs/dbraw/zinc/07/80/39/322078039.db2.gz ZROJOTOQGZCUSD-GJZGRUSLSA-N -1 3 290.407 3.052 20 0 CGADHM Cc1oc(C(=O)[O-])cc1CN(C)[C@H]1CCc2ccccc21 ZINC000566358318 322117707 /nfs/dbraw/zinc/11/77/07/322117707.db2.gz GQXBNALTSPDPIO-HNNXBMFYSA-N -1 3 285.343 3.406 20 0 CGADHM Cc1oc(CN2CC[C@]3(CC[C@@H](C)C3)C2)cc1C(=O)[O-] ZINC000566362758 322119132 /nfs/dbraw/zinc/11/91/32/322119132.db2.gz WTVFWZZEQLQTGZ-BZNIZROVSA-N -1 3 277.364 3.298 20 0 CGADHM C[C@@H]1CCCN(Cc2csc(C(=O)[O-])c2)CC1 ZINC000566802183 322138642 /nfs/dbraw/zinc/13/86/42/322138642.db2.gz ZOMLVCMSFFDEML-SNVBAGLBSA-N -1 3 253.367 3.068 20 0 CGADHM CN(Cc1ccoc1C(=O)[O-])CC1(c2ccccc2)CC1 ZINC000567279763 322157522 /nfs/dbraw/zinc/15/75/22/322157522.db2.gz ATYUXPWVSRUIHG-UHFFFAOYSA-N -1 3 285.343 3.141 20 0 CGADHM CCc1cccc(C(=O)N(C)[C@H]2CC[C@H](C)C2)c1[O-] ZINC000567308695 322158120 /nfs/dbraw/zinc/15/81/20/322158120.db2.gz REDSPHQKOUHTSA-AAEUAGOBSA-N -1 3 261.365 3.215 20 0 CGADHM Cc1cc(C(=O)[N-]c2nnc(C3CC3)s2)c(F)cc1F ZINC000567815172 322178991 /nfs/dbraw/zinc/17/89/91/322178991.db2.gz USRGOZBGSUIMJC-UHFFFAOYSA-N -1 3 295.314 3.254 20 0 CGADHM C[C@@H]1CN([C@H](C(=O)[O-])c2cccc(Cl)c2)C[C@H](C)S1 ZINC000568062000 322190999 /nfs/dbraw/zinc/19/09/99/322190999.db2.gz ZNUJUJNARYWTKO-CWSCBRNRSA-N -1 3 299.823 3.292 20 0 CGADHM CC(=O)c1cccc(NC(=O)[C@@H](C)C(C)(C)C)c1[O-] ZINC000568753004 322221337 /nfs/dbraw/zinc/22/13/37/322221337.db2.gz VANPMPZZZUGXAP-SECBINFHSA-N -1 3 263.337 3.216 20 0 CGADHM CCc1cccc(NC(=O)Cc2cncc([O-])c2)c1CC ZINC000569020168 322232079 /nfs/dbraw/zinc/23/20/79/322232079.db2.gz VSEOJKCGKVASBM-UHFFFAOYSA-N -1 3 284.359 3.093 20 0 CGADHM CN(CCCCc1ccccc1)Cc1ncccc1[O-] ZINC000569766599 322256556 /nfs/dbraw/zinc/25/65/56/322256556.db2.gz IECSPEDFMJYXDD-UHFFFAOYSA-N -1 3 270.376 3.242 20 0 CGADHM COc1ccc(Cl)c(CN2C[C@H](C(=O)[O-])CC[C@H]2C)c1 ZINC000569814452 322257635 /nfs/dbraw/zinc/25/76/35/322257635.db2.gz XNZPNRMPHWOAMV-GHMZBOCLSA-N -1 3 297.782 3.034 20 0 CGADHM C[C@@]12CCN(Cc3ccc(F)cc3C(=O)[O-])C[C@@H]1C2(F)F ZINC000570295133 322270074 /nfs/dbraw/zinc/27/00/74/322270074.db2.gz ZWEMPCCUEYBFNU-GXTWGEPZSA-N -1 3 299.292 3.001 20 0 CGADHM CCc1ccc(C(=O)N(CC)[C@@H](C)C(C)C)c([O-])c1 ZINC000570551830 322276149 /nfs/dbraw/zinc/27/61/49/322276149.db2.gz SEAPOAHXQZDFFU-LBPRGKRZSA-N -1 3 263.381 3.461 20 0 CGADHM CCC[C@@H](C)N(C)Cc1cc(C(=O)[O-])oc1CC ZINC000571337886 322296214 /nfs/dbraw/zinc/29/62/14/322296214.db2.gz XXBFELIJKRXLNY-SNVBAGLBSA-N -1 3 253.342 3.161 20 0 CGADHM CC(C)[C@H]1CN(C(=O)Cc2cncc([O-])c2)c2ccccc21 ZINC000571462332 322299467 /nfs/dbraw/zinc/29/94/67/322299467.db2.gz RZMDYCYDVZMEHC-MRXNPFEDSA-N -1 3 296.370 3.116 20 0 CGADHM CN(Cc1cc(C(=O)[O-])ccc1Cl)C1CCCC1 ZINC000571768839 322307466 /nfs/dbraw/zinc/30/74/66/322307466.db2.gz KLRKRZPGGPCRKO-UHFFFAOYSA-N -1 3 267.756 3.413 20 0 CGADHM C[C@@H]1CN(Cc2c(F)cccc2Cl)C[C@]1(C)C(=O)[O-] ZINC000571888409 322310841 /nfs/dbraw/zinc/31/08/41/322310841.db2.gz LADRDPYMKQSUOX-OTYXRUKQSA-N -1 3 285.746 3.022 20 0 CGADHM Cc1ccccc1[C@H](C)N(C)Cc1cc(C(=O)[O-])co1 ZINC000571928622 322312637 /nfs/dbraw/zinc/31/26/37/322312637.db2.gz CHCVXRUAOAUOEE-LBPRGKRZSA-N -1 3 273.332 3.479 20 0 CGADHM Cc1ccc(C)c([C@H](C)N(C)C(=O)Cc2cncc([O-])c2)c1 ZINC000572060039 322318263 /nfs/dbraw/zinc/31/82/63/322318263.db2.gz JMUDRGCHHKPEFI-AWEZNQCLSA-N -1 3 298.386 3.166 20 0 CGADHM C[C@H]1CC=C(c2nc(-c3ccc4n[n-]nc4c3)no2)CC1 ZINC000572125195 322321247 /nfs/dbraw/zinc/32/12/47/322321247.db2.gz SMCFNVADKCZLIT-VIFPVBQESA-N -1 3 281.319 3.211 20 0 CGADHM O=C(CC1CCC1)Nc1nnc(-c2cc3ccccc3o2)[n-]1 ZINC000573180600 322374393 /nfs/dbraw/zinc/37/43/93/322374393.db2.gz CYGPIVUGUILWOP-UHFFFAOYSA-N -1 3 296.330 3.347 20 0 CGADHM O=C(CC1CCC1)Nc1nc(-c2cc3ccccc3o2)n[n-]1 ZINC000573180600 322374396 /nfs/dbraw/zinc/37/43/96/322374396.db2.gz CYGPIVUGUILWOP-UHFFFAOYSA-N -1 3 296.330 3.347 20 0 CGADHM O=C(CC1CCC1)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000573180600 322374397 /nfs/dbraw/zinc/37/43/97/322374397.db2.gz CYGPIVUGUILWOP-UHFFFAOYSA-N -1 3 296.330 3.347 20 0 CGADHM Cc1ccc([C@@H](C)NCc2ncccc2[O-])cc1F ZINC000573891790 322412252 /nfs/dbraw/zinc/41/22/52/322412252.db2.gz FNQPUKITYUPXDS-LLVKDONJSA-N -1 3 260.312 3.086 20 0 CGADHM CCc1noc(C)c1-c1noc(-c2cc(C)ccc2[O-])n1 ZINC000584271162 327205642 /nfs/dbraw/zinc/20/56/42/327205642.db2.gz UHOPTUQOTJVXAK-UHFFFAOYSA-N -1 3 285.303 3.276 20 0 CGADHM CSC[C@H]1CCCN1Cc1cccc(C(=O)[O-])c1Cl ZINC000399986582 327316168 /nfs/dbraw/zinc/31/61/68/327316168.db2.gz CCYSWJVUQYZNBK-LLVKDONJSA-N -1 3 299.823 3.366 20 0 CGADHM O=C(Cc1ccccc1)Nc1c([O-])cccc1Cl ZINC000576316338 335188437 /nfs/dbraw/zinc/18/84/37/335188437.db2.gz NDHVVADTSDGUKF-UHFFFAOYSA-N -1 3 261.708 3.227 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)[C@@H](C)c2cccnc2)c1[O-] ZINC000174074754 335147582 /nfs/dbraw/zinc/14/75/82/335147582.db2.gz AMNORLCVNFLQAR-JTQLQIEISA-N -1 3 290.750 3.491 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])c1coc(-c2ccccc2)n1 ZINC000174881800 335168268 /nfs/dbraw/zinc/16/82/68/335168268.db2.gz WLCOQMNCGGQVAU-UHFFFAOYSA-N -1 3 298.273 3.439 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])c1cccc2ncccc21 ZINC000174879453 335168299 /nfs/dbraw/zinc/16/82/99/335168299.db2.gz NPUIURPNTBLXIW-UHFFFAOYSA-N -1 3 282.274 3.332 20 0 CGADHM CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccccc1[O-] ZINC000175008245 335171141 /nfs/dbraw/zinc/17/11/41/335171141.db2.gz ZETCTDNRKLZLHN-INIZCTEOSA-N -1 3 285.343 3.497 20 0 CGADHM CCO[C@@H](CC)C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000576360668 335194840 /nfs/dbraw/zinc/19/48/40/335194840.db2.gz GSRZLZUZYRFXHG-AWEZNQCLSA-N -1 3 279.380 3.443 20 0 CGADHM Cc1ccc(-c2nc(=O)c3c(C(C)C)csc3[n-]2)nn1 ZINC000576806457 335249478 /nfs/dbraw/zinc/24/94/78/335249478.db2.gz ILXGWBWUZWTFGF-UHFFFAOYSA-N -1 3 286.360 3.286 20 0 CGADHM CCN(Cc1ccccc1C)[C@H](C)c1nc(C)cc(=O)[n-]1 ZINC000192531765 335272621 /nfs/dbraw/zinc/27/26/21/335272621.db2.gz INTIRQJHTVEXOD-CQSZACIVSA-N -1 3 285.391 3.382 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N2CCC[C@@]3(CC=CCC3)C2)n1 ZINC000192592587 335280381 /nfs/dbraw/zinc/28/03/81/335280381.db2.gz ADXCVBUIVHHJRN-YOEHRIQHSA-N -1 3 287.407 3.374 20 0 CGADHM O=C(N[C@H](c1ccccc1)C1CC1)c1cccc([O-])c1 ZINC000192612400 335286842 /nfs/dbraw/zinc/28/68/42/335286842.db2.gz KXVFMHRPTHTCGV-MRXNPFEDSA-N -1 3 267.328 3.273 20 0 CGADHM CCc1ccc(C(=O)Nc2cnc(C)nc2C2CC2)c([O-])c1 ZINC000577100061 335300070 /nfs/dbraw/zinc/30/00/70/335300070.db2.gz ANIFOTZHCZITGF-UHFFFAOYSA-N -1 3 297.358 3.183 20 0 CGADHM CCOc1nc2cc(C(=O)N3CCCC34CCC4)ccc2[n-]1 ZINC000577340868 335340435 /nfs/dbraw/zinc/34/04/35/335340435.db2.gz BWZIRTWUQREXLV-UHFFFAOYSA-N -1 3 299.374 3.120 20 0 CGADHM CCOc1nc2ccc(C(=O)N3CCCC34CCC4)cc2[n-]1 ZINC000577340868 335340436 /nfs/dbraw/zinc/34/04/36/335340436.db2.gz BWZIRTWUQREXLV-UHFFFAOYSA-N -1 3 299.374 3.120 20 0 CGADHM COc1ccc([O-])c(C(=O)N2CC(C3CCCCC3)C2)c1 ZINC000577434568 335351881 /nfs/dbraw/zinc/35/18/81/335351881.db2.gz BTVPABALNAGITH-UHFFFAOYSA-N -1 3 289.375 3.053 20 0 CGADHM Cc1nc(C)c([C@H](C)N(C)CCCCCC(=O)[O-])s1 ZINC000577617690 335379144 /nfs/dbraw/zinc/37/91/44/335379144.db2.gz JKLQFUZYOPCVIR-NSHDSACASA-N -1 3 284.425 3.398 20 0 CGADHM C[C@@H]1CCC[C@@H](c2nc(-c3ccc4n[n-]nc4c3)no2)C1 ZINC000577638792 335384446 /nfs/dbraw/zinc/38/44/46/335384446.db2.gz BFRPEORXGOUJRN-MWLCHTKSSA-N -1 3 283.335 3.302 20 0 CGADHM COc1cc(C(=O)Nc2c(C)cccc2[O-])ccc1C ZINC000179564216 335501140 /nfs/dbraw/zinc/50/11/40/335501140.db2.gz XFLMQTKTIHUZKI-UHFFFAOYSA-N -1 3 271.316 3.270 20 0 CGADHM COc1cc(-c2noc(C(F)=C3CCC3)n2)ccc1[O-] ZINC000351310569 335604421 /nfs/dbraw/zinc/60/44/21/335604421.db2.gz WSQRXTPOMTYTQU-UHFFFAOYSA-N -1 3 276.267 3.315 20 0 CGADHM CCc1cccc(C(=O)N2Cc3ccccc3CO2)c1[O-] ZINC000579394840 335744239 /nfs/dbraw/zinc/74/42/39/335744239.db2.gz IEQVTNSYHRRQJD-UHFFFAOYSA-N -1 3 283.327 3.042 20 0 CGADHM [O-]c1cccnc1CN[C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000579407719 335745026 /nfs/dbraw/zinc/74/50/26/335745026.db2.gz LREVJNHRTNWTSM-GOEBONIOSA-N -1 3 298.386 3.045 20 0 CGADHM Cc1ccc(C(=O)Nc2c(C)cccc2[O-])c(F)c1 ZINC000183039657 335857922 /nfs/dbraw/zinc/85/79/22/335857922.db2.gz LWHVUFVTHSZUFX-UHFFFAOYSA-N -1 3 259.280 3.400 20 0 CGADHM CCCC[C@@H](C)C(=O)N1CCCc2cccc([O-])c21 ZINC000381860408 336074616 /nfs/dbraw/zinc/07/46/16/336074616.db2.gz UXPBIWUHLFDPRS-GFCCVEGCSA-N -1 3 261.365 3.498 20 0 CGADHM CC[C@@H](NC(=O)c1ccc([O-])c(C)c1)C1CCCC1 ZINC000382866397 336098331 /nfs/dbraw/zinc/09/83/31/336098331.db2.gz MQYVDKHZBSTENH-CQSZACIVSA-N -1 3 261.365 3.399 20 0 CGADHM Cc1ccc(C(=O)N(C)[C@@H]2CC[C@@H](C)C2)c([O-])c1C ZINC000436874685 534259949 /nfs/dbraw/zinc/25/99/49/534259949.db2.gz BBZJILOPSCBYET-ZWNOBZJWSA-N -1 3 261.365 3.270 20 0 CGADHM Cc1ccc(C(=O)NCCc2cccc(F)c2)c([O-])c1C ZINC000436628512 534266482 /nfs/dbraw/zinc/26/64/82/534266482.db2.gz ZLEFVXSIWHMZKM-UHFFFAOYSA-N -1 3 287.334 3.121 20 0 CGADHM COC(=O)c1cccc(F)c1[N-]C(=O)c1ccc(Cl)o1 ZINC000446109418 534268226 /nfs/dbraw/zinc/26/82/26/534268226.db2.gz TVJNJMUYONZIAP-UHFFFAOYSA-N -1 3 297.669 3.111 20 0 CGADHM Cc1noc([N-]C(=O)COc2ccc(F)cc2Cl)c1C ZINC000359377700 534427960 /nfs/dbraw/zinc/42/79/60/534427960.db2.gz KQOVPRVEZBLATK-UHFFFAOYSA-N -1 3 298.701 3.101 20 0 CGADHM O=C(NCCc1ccc(F)cc1Cl)c1ccccc1[O-] ZINC000436549886 534457889 /nfs/dbraw/zinc/45/78/89/534457889.db2.gz XZHDPUFKKNMMJJ-UHFFFAOYSA-N -1 3 293.725 3.157 20 0 CGADHM Cc1ccc2c(c1C)OC[C@H]2NC(=O)c1cccc(C)c1[O-] ZINC000436724018 534460247 /nfs/dbraw/zinc/46/02/47/534460247.db2.gz QNQONPGEPQJVNJ-OAHLLOKOSA-N -1 3 297.354 3.181 20 0 CGADHM O=C([O-])CC1(CNCc2ccccc2Cl)CCC1 ZINC000426636101 534487712 /nfs/dbraw/zinc/48/77/12/534487712.db2.gz YPQFDSHCJKPSEM-UHFFFAOYSA-N -1 3 267.756 3.075 20 0 CGADHM CCC[C@@H]1C[C@@H](C(=O)Nc2cc(F)ccc2[O-])CCO1 ZINC000184130228 520853633 /nfs/dbraw/zinc/85/36/33/520853633.db2.gz ZRZQKPQDUGVJGY-CMPLNLGQSA-N -1 3 281.327 3.065 20 0 CGADHM Cc1cccc(C(=O)N2CC[C@H](CC(C)C)C2)c1[O-] ZINC000174065757 534597561 /nfs/dbraw/zinc/59/75/61/534597561.db2.gz LXPVGPMNKBDROG-CYBMUJFWSA-N -1 3 261.365 3.209 20 0 CGADHM CC[C@@H](C)CN(C)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000111254854 521971796 /nfs/dbraw/zinc/97/17/96/521971796.db2.gz DFQFRVYSLYXWHW-LLVKDONJSA-N -1 3 299.374 3.147 20 0 CGADHM CC[C@H]1CCCC[C@@H]1NC(=O)c1c[n-]c2ccccc2c1=O ZINC000097106669 523039493 /nfs/dbraw/zinc/03/94/93/523039493.db2.gz BPHWILSPVMITEQ-WFASDCNBSA-N -1 3 298.386 3.227 20 0 CGADHM Cc1csc(-c2noc(/C=C/c3cccc([O-])c3)n2)n1 ZINC000435952601 534765911 /nfs/dbraw/zinc/76/59/11/534765911.db2.gz IUKMEOQBSIVOHJ-AATRIKPKSA-N -1 3 285.328 3.378 20 0 CGADHM Cc1ccc([C@@H]2CCN(C(=O)c3ccccc3[O-])C2)cc1 ZINC000374604873 525829047 /nfs/dbraw/zinc/82/90/47/525829047.db2.gz NYFDYEMHBSKRHS-OAHLLOKOSA-N -1 3 281.355 3.330 20 0 CGADHM Cc1ccc(C(=O)NCc2ccc(F)c(Cl)c2)c([O-])c1 ZINC000053158954 526185521 /nfs/dbraw/zinc/18/55/21/526185521.db2.gz RCFRXDBBZDGUSC-UHFFFAOYSA-N -1 3 293.725 3.423 20 0 CGADHM O=C(Nc1ccc(Cl)cc1[O-])c1snnc1C1CC1 ZINC000291089071 527187660 /nfs/dbraw/zinc/18/76/60/527187660.db2.gz QIOATZKUVIBIFH-UHFFFAOYSA-N -1 3 295.751 3.027 20 0 CGADHM CC(C)(NC(=O)c1ccccc1[O-])c1cccc(F)c1 ZINC000436720294 527286893 /nfs/dbraw/zinc/28/68/93/527286893.db2.gz SQMDJTKZKHTLQZ-UHFFFAOYSA-N -1 3 273.307 3.196 20 0 CGADHM CC(C)(C)CC[C@@H](NCc1ccccc1F)C(=O)[O-] ZINC000426747574 527675420 /nfs/dbraw/zinc/67/54/20/527675420.db2.gz QFNOLVMMGWOJLM-CYBMUJFWSA-N -1 3 267.344 3.195 20 0 CGADHM CC(C)(C)C[C@@H](NCc1ccc(Cl)cc1F)C(=O)[O-] ZINC000426796967 527694206 /nfs/dbraw/zinc/69/42/06/527694206.db2.gz CYIRRCSQNSVOTJ-GFCCVEGCSA-N -1 3 287.762 3.458 20 0 CGADHM CCCN(C(=O)c1ccc2c(c1[O-])OC(C)(C)C2)C1CC1 ZINC000436568382 527790102 /nfs/dbraw/zinc/79/01/02/527790102.db2.gz SPDPOKLGPUISLB-UHFFFAOYSA-N -1 3 289.375 3.120 20 0 CGADHM CCCN(CC)C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436759119 527959553 /nfs/dbraw/zinc/95/95/53/527959553.db2.gz SQYCGTKKUWLCQJ-UHFFFAOYSA-N -1 3 261.365 3.143 20 0 CGADHM CCN=c1[n-]c(C(=O)N2CCC[C@H]2CCC(C)C)cs1 ZINC000427119028 527998108 /nfs/dbraw/zinc/99/81/08/527998108.db2.gz DVKSSJVRNGOOCK-LBPRGKRZSA-N -1 3 295.452 3.038 20 0 CGADHM CC(C)c1ccc(C(=O)NCC(C)(C)CCCO)c([O-])c1 ZINC000436762015 528067521 /nfs/dbraw/zinc/06/75/21/528067521.db2.gz AYKVULGAETWENX-UHFFFAOYSA-N -1 3 293.407 3.044 20 0 CGADHM CCC[C@H](CCO)CNC(=O)c1ccc(C(C)C)cc1[O-] ZINC000436582990 528122486 /nfs/dbraw/zinc/12/24/86/528122486.db2.gz FPFYUVPAOZLCIS-CYBMUJFWSA-N -1 3 293.407 3.044 20 0 CGADHM CC(C)Oc1ccc(CNC(=O)c2ccccc2[O-])cc1 ZINC000436718214 528161008 /nfs/dbraw/zinc/16/10/08/528161008.db2.gz JITGEGWRBLISGW-UHFFFAOYSA-N -1 3 285.343 3.109 20 0 CGADHM CCCOc1ccc(CNC(=O)c2ccc([O-])c(C)c2)cc1 ZINC000436927540 528684950 /nfs/dbraw/zinc/68/49/50/528684950.db2.gz RZTQSFIRBNCWRU-UHFFFAOYSA-N -1 3 299.370 3.419 20 0 CGADHM CCC(CC)SCc1cc(=O)[n-]c(C2CC2)n1 ZINC000412997119 528807504 /nfs/dbraw/zinc/80/75/04/528807504.db2.gz WGXOZGNFRGUQPM-UHFFFAOYSA-N -1 3 252.383 3.481 20 0 CGADHM CCN(C(=O)c1ccc(O)cc1[O-])[C@@H]1CCCC[C@H]1C ZINC000171242864 529084526 /nfs/dbraw/zinc/08/45/26/529084526.db2.gz AQAIWQKLILIPGO-BXUZGUMPSA-N -1 3 277.364 3.139 20 0 CGADHM CC1(C)CN(C(=O)c2cc([O-])ccc2Cl)[C@@H]1C1CC1 ZINC000365798666 529102607 /nfs/dbraw/zinc/10/26/07/529102607.db2.gz UAPYKOTUXPFYPR-CYBMUJFWSA-N -1 3 279.767 3.306 20 0 CGADHM CC1(C)C[C@@H](C(=O)Nc2ncccc2[O-])c2ccccc2O1 ZINC000411191754 529135637 /nfs/dbraw/zinc/13/56/37/529135637.db2.gz WLEMPUPSMYGZEQ-GFCCVEGCSA-N -1 3 298.342 3.071 20 0 CGADHM CCS[C@@H]1CC[C@@H](N(C)C(=O)c2ccc([O-])c(C)c2)C1 ZINC000436927492 529219257 /nfs/dbraw/zinc/21/92/57/529219257.db2.gz OEFJEUJPKYXROJ-ZIAGYGMSSA-N -1 3 293.432 3.447 20 0 CGADHM CCS[C@H]1CC[C@@H](N(C)C(=O)c2ccc([O-])c(C)c2)C1 ZINC000436927490 529232558 /nfs/dbraw/zinc/23/25/58/529232558.db2.gz OEFJEUJPKYXROJ-KGLIPLIRSA-N -1 3 293.432 3.447 20 0 CGADHM CC[C@H]1CC[C@H](NC(=O)c2ccc([O-])c(C)c2)CC1 ZINC000436891587 529256866 /nfs/dbraw/zinc/25/68/66/529256866.db2.gz HCGVNUIGECFDMK-MQMHXKEQSA-N -1 3 261.365 3.399 20 0 CGADHM CC[C@H](CC(F)(F)F)C(=O)Nc1ccc([O-])cc1F ZINC000402610598 529312578 /nfs/dbraw/zinc/31/25/78/529312578.db2.gz GKEHTZMMNQDJRB-SSDOTTSWSA-N -1 3 279.233 3.448 20 0 CGADHM CC[C@@H](C)CN(C)C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436582538 529313906 /nfs/dbraw/zinc/31/39/06/529313906.db2.gz LUPCQZHCNSFENC-LLVKDONJSA-N -1 3 291.391 3.224 20 0 CGADHM CC(C)=CCC[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000480694401 535356636 /nfs/dbraw/zinc/35/66/36/535356636.db2.gz MVFAIUTXNZVWKJ-UHFFFAOYSA-N -1 3 291.775 3.114 20 0 CGADHM CCc1[n-][nH]c(=NC(=O)[C@H](CC)C2CCC(C)CC2)c1C ZINC000461870802 535983988 /nfs/dbraw/zinc/98/39/88/535983988.db2.gz JZFAXAAQVIURMF-UXUKBGGZSA-N -1 3 291.439 3.493 20 0 CGADHM C[C@H]1C[C@@H](NC(=O)c2cc([O-])c3ccccc3c2)CS1 ZINC000334805278 571799813 /nfs/dbraw/zinc/79/98/13/571799813.db2.gz DYAMHSIJHACVBQ-GXFFZTMASA-N -1 3 287.384 3.169 20 0 CGADHM FC(F)(F)c1c[n-]c(=NC[C@@H]2CCCCS2)s1 ZINC000357694191 571836864 /nfs/dbraw/zinc/83/68/64/571836864.db2.gz GQTWQHRHFGQFEB-ZETCQYMHSA-N -1 3 282.356 3.281 20 0 CGADHM Cc1ccccc1Oc1ncc(-c2nnn[n-]2)cc1Cl ZINC000737430863 572342502 /nfs/dbraw/zinc/34/25/02/572342502.db2.gz AMAZNOMRZRNHHA-UHFFFAOYSA-N -1 3 287.710 3.016 20 0 CGADHM Cc1ccccc1Oc1ncc(-c2nn[n-]n2)cc1Cl ZINC000737430863 572342506 /nfs/dbraw/zinc/34/25/06/572342506.db2.gz AMAZNOMRZRNHHA-UHFFFAOYSA-N -1 3 287.710 3.016 20 0 CGADHM Cc1ccccc1NC(=S)NCc1ccc([O-])c(F)c1 ZINC000737461507 572345842 /nfs/dbraw/zinc/34/58/42/572345842.db2.gz NENXVIXTWMVGHJ-UHFFFAOYSA-N -1 3 290.363 3.326 20 0 CGADHM C[C@H]1CCCC[C@@H]1NC(=S)NCc1ccc([O-])c(F)c1 ZINC000737461013 572345874 /nfs/dbraw/zinc/34/58/74/572345874.db2.gz HBJJDNAAJQKTJT-GWCFXTLKSA-N -1 3 296.411 3.074 20 0 CGADHM Cc1ccc(NC(=S)NCc2ccc([O-])c(F)c2)cc1 ZINC000737461909 572346556 /nfs/dbraw/zinc/34/65/56/572346556.db2.gz STNRCPXBBHCGCV-UHFFFAOYSA-N -1 3 290.363 3.326 20 0 CGADHM c1cc(-c2nnn[n-]2)ccc1NC1CCCCCCC1 ZINC000738413566 572374478 /nfs/dbraw/zinc/37/44/78/572374478.db2.gz WCKLVGUGUOGAQS-UHFFFAOYSA-N -1 3 271.368 3.392 20 0 CGADHM c1cc(-c2nn[n-]n2)ccc1NC1CCCCCCC1 ZINC000738413566 572374484 /nfs/dbraw/zinc/37/44/84/572374484.db2.gz WCKLVGUGUOGAQS-UHFFFAOYSA-N -1 3 271.368 3.392 20 0 CGADHM C[C@H](NC[C@@H]1CCCN(C(=O)[O-])C1)c1ccc(F)cc1F ZINC000739034812 572399229 /nfs/dbraw/zinc/39/92/29/572399229.db2.gz MOLPFNIUDQCBIQ-QWRGUYRKSA-N -1 3 298.333 3.005 20 0 CGADHM C[C@@H](NC[C@H]1CCCN(C(=O)[O-])C1)c1cc(F)ccc1F ZINC000739036271 572399560 /nfs/dbraw/zinc/39/95/60/572399560.db2.gz RYJRKGXJURWEPF-GHMZBOCLSA-N -1 3 298.333 3.005 20 0 CGADHM C[C@@H](NCCC1CCN(C(=O)[O-])CC1)c1ccccc1F ZINC000739030522 572399632 /nfs/dbraw/zinc/39/96/32/572399632.db2.gz BQICUBPJWNXVET-GFCCVEGCSA-N -1 3 294.370 3.256 20 0 CGADHM C[C@@H](c1ccccc1Cl)N1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000739171468 572402856 /nfs/dbraw/zinc/40/28/56/572402856.db2.gz CBZCOSFNKZCNHI-UHIISALHSA-N -1 3 296.798 3.379 20 0 CGADHM CC1(C)[C@@H]2OCC[C@H]2[C@@H]1OC(=O)c1cc2ccsc2[n-]1 ZINC000739368506 572412345 /nfs/dbraw/zinc/41/23/45/572412345.db2.gz ZLIGRZVILGBAAF-JLLWLGSASA-N -1 3 291.372 3.200 20 0 CGADHM Cc1ccc(F)c(CN[C@H](C)[C@@H]2CCCN(C(=O)[O-])C2)c1 ZINC000740127540 572433404 /nfs/dbraw/zinc/43/34/04/572433404.db2.gz OQPXBSXTVAGOJJ-CHWSQXEVSA-N -1 3 294.370 3.002 20 0 CGADHM CC(C)(C)c1ccc(COC(=O)c2cncc([O-])c2)cc1 ZINC000731916081 572435990 /nfs/dbraw/zinc/43/59/90/572435990.db2.gz PRJFPGPGWFQJFS-UHFFFAOYSA-N -1 3 285.343 3.442 20 0 CGADHM O=C([O-])c1occc1CN1CC[C@@H](c2ccccc2F)C1 ZINC000740281033 572438582 /nfs/dbraw/zinc/43/85/82/572438582.db2.gz HUGXGLKJWRQCFM-LLVKDONJSA-N -1 3 289.306 3.106 20 0 CGADHM CCCCCC[C@@H](CC)C(=O)Nc1nnc(SC)[n-]1 ZINC000740925016 572468715 /nfs/dbraw/zinc/46/87/15/572468715.db2.gz FBTAGZHITCNVQV-SNVBAGLBSA-N -1 3 284.429 3.462 20 0 CGADHM CCCCCC[C@@H](CC)C(=O)Nc1nc(SC)n[n-]1 ZINC000740925016 572468719 /nfs/dbraw/zinc/46/87/19/572468719.db2.gz FBTAGZHITCNVQV-SNVBAGLBSA-N -1 3 284.429 3.462 20 0 CGADHM CCCCCC[C@@H](CC)C(=O)Nc1n[n-]c(SC)n1 ZINC000740925016 572468722 /nfs/dbraw/zinc/46/87/22/572468722.db2.gz FBTAGZHITCNVQV-SNVBAGLBSA-N -1 3 284.429 3.462 20 0 CGADHM CCCCCC[C@@H](C)C(=O)Nc1nnc(SC)[n-]1 ZINC000742059155 572551490 /nfs/dbraw/zinc/55/14/90/572551490.db2.gz GYSULPNUXRLFQQ-SECBINFHSA-N -1 3 270.402 3.072 20 0 CGADHM CCCCCC[C@@H](C)C(=O)Nc1nc(SC)n[n-]1 ZINC000742059155 572551495 /nfs/dbraw/zinc/55/14/95/572551495.db2.gz GYSULPNUXRLFQQ-SECBINFHSA-N -1 3 270.402 3.072 20 0 CGADHM CCCCCC[C@@H](C)C(=O)Nc1n[n-]c(SC)n1 ZINC000742059155 572551497 /nfs/dbraw/zinc/55/14/97/572551497.db2.gz GYSULPNUXRLFQQ-SECBINFHSA-N -1 3 270.402 3.072 20 0 CGADHM CCOCCCCOC(=O)c1cc2ccsc2[n-]1 ZINC000744204864 572723422 /nfs/dbraw/zinc/72/34/22/572723422.db2.gz ZSPCRZSBLJYRRS-UHFFFAOYSA-N -1 3 267.350 3.203 20 0 CGADHM C[C@H](Nc1ccc(-c2nnn[n-]2)cc1F)c1cccs1 ZINC000736140321 572769617 /nfs/dbraw/zinc/76/96/17/572769617.db2.gz UAJCBFIOBIKOEA-QMMMGPOBSA-N -1 3 289.339 3.240 20 0 CGADHM C[C@H](Nc1ccc(-c2nn[n-]n2)cc1F)c1cccs1 ZINC000736140321 572769620 /nfs/dbraw/zinc/76/96/20/572769620.db2.gz UAJCBFIOBIKOEA-QMMMGPOBSA-N -1 3 289.339 3.240 20 0 CGADHM C[C@H]1C[C@H](C)CN(c2cc(Cl)ccc2-c2nnn[n-]2)C1 ZINC000736226124 572773483 /nfs/dbraw/zinc/77/34/83/572773483.db2.gz FVYFDNNXQXEASZ-UWVGGRQHSA-N -1 3 291.786 3.002 20 0 CGADHM C[C@H]1C[C@H](C)CN(c2cc(Cl)ccc2-c2nn[n-]n2)C1 ZINC000736226124 572773487 /nfs/dbraw/zinc/77/34/87/572773487.db2.gz FVYFDNNXQXEASZ-UWVGGRQHSA-N -1 3 291.786 3.002 20 0 CGADHM C[C@@H]1CCCN(c2cc(Cl)ccc2-c2nnn[n-]2)CC1 ZINC000736276388 572778850 /nfs/dbraw/zinc/77/88/50/572778850.db2.gz HAUOBEDUUGNSKL-SNVBAGLBSA-N -1 3 291.786 3.147 20 0 CGADHM C[C@@H]1CCCN(c2cc(Cl)ccc2-c2nn[n-]n2)CC1 ZINC000736276388 572778853 /nfs/dbraw/zinc/77/88/53/572778853.db2.gz HAUOBEDUUGNSKL-SNVBAGLBSA-N -1 3 291.786 3.147 20 0 CGADHM CCCC[C@H]1CCC[C@@H]1Nc1ccc(-c2nnn[n-]2)cn1 ZINC000736441310 572791941 /nfs/dbraw/zinc/79/19/41/572791941.db2.gz PGVNEUSVHHJXSU-AAEUAGOBSA-N -1 3 286.383 3.033 20 0 CGADHM CCCC[C@H]1CCC[C@@H]1Nc1ccc(-c2nn[n-]n2)cn1 ZINC000736441310 572791944 /nfs/dbraw/zinc/79/19/44/572791944.db2.gz PGVNEUSVHHJXSU-AAEUAGOBSA-N -1 3 286.383 3.033 20 0 CGADHM CCCCCC(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000736440924 572792745 /nfs/dbraw/zinc/79/27/45/572792745.db2.gz IUKVLLQJBYEAOT-LLVKDONJSA-N -1 3 288.351 3.051 20 0 CGADHM CCCCCC(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000736440924 572792747 /nfs/dbraw/zinc/79/27/47/572792747.db2.gz IUKVLLQJBYEAOT-LLVKDONJSA-N -1 3 288.351 3.051 20 0 CGADHM C[C@@H](N[C@H](COCc1ccccc1)c1ccccc1)C(=O)[O-] ZINC000736661067 572803121 /nfs/dbraw/zinc/80/31/21/572803121.db2.gz DADNUIUXMJWPRF-RHSMWYFYSA-N -1 3 299.370 3.007 20 0 CGADHM Cc1ccc(C)c(CNCc2cccc(C(=O)[O-])c2)c1 ZINC000258868878 572841710 /nfs/dbraw/zinc/84/17/10/572841710.db2.gz KTFUVRUDPSKOTI-UHFFFAOYSA-N -1 3 269.344 3.291 20 0 CGADHM O=C([N-][C@@H]1CC[C@@H]2CCCC[C@H]2C1)C(F)(F)C(F)F ZINC000749339593 572992359 /nfs/dbraw/zinc/99/23/59/572992359.db2.gz FWOUXKDFTKDRGJ-LPEHRKFASA-N -1 3 281.293 3.362 20 0 CGADHM COC(=O)c1ccc(C)c(NC(=O)c2cc3occc3[n-]2)c1 ZINC000750809042 573181202 /nfs/dbraw/zinc/18/12/02/573181202.db2.gz JYRJLGVBLIXCOX-UHFFFAOYSA-N -1 3 298.298 3.108 20 0 CGADHM C[C@@]1(c2ccccc2)C[C@@H]1Nc1ccc(-c2nn[n-]n2)cc1 ZINC000820636890 599038702 /nfs/dbraw/zinc/03/87/02/599038702.db2.gz VKJBOPJWGZRJRZ-RDJZCZTQSA-N -1 3 291.358 3.009 20 0 CGADHM C[C@]1(c2ccccc2)C[C@H]1Nc1ccc(-c2nn[n-]n2)cc1 ZINC000820636887 599038740 /nfs/dbraw/zinc/03/87/40/599038740.db2.gz VKJBOPJWGZRJRZ-NVXWUHKLSA-N -1 3 291.358 3.009 20 0 CGADHM CC(C)[C@@H](C)SCc1cc(-c2nnn[n-]2)ccc1F ZINC000820020669 599129396 /nfs/dbraw/zinc/12/93/96/599129396.db2.gz JOUVJWYRKYNLMD-SECBINFHSA-N -1 3 280.372 3.284 20 0 CGADHM CC(C)[C@@H](C)SCc1cc(-c2nn[n-]n2)ccc1F ZINC000820020669 599129399 /nfs/dbraw/zinc/12/93/99/599129399.db2.gz JOUVJWYRKYNLMD-SECBINFHSA-N -1 3 280.372 3.284 20 0 CGADHM C[C@H](CC(=O)[O-])N[C@H](C)c1nc(-c2ccccc2)cs1 ZINC000820071983 598163511 /nfs/dbraw/zinc/16/35/11/598163511.db2.gz MEDUYKBZZKFTBD-GHMZBOCLSA-N -1 3 290.388 3.324 20 0 CGADHM O=C([O-])c1ccc(CNC2(c3cccc(F)c3)CC2)cc1 ZINC000821545763 598180294 /nfs/dbraw/zinc/18/02/94/598180294.db2.gz OCLWLVXDIPMUEJ-UHFFFAOYSA-N -1 3 285.318 3.303 20 0 CGADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cc1)C1CCCCC1 ZINC000820455487 599577715 /nfs/dbraw/zinc/57/77/15/599577715.db2.gz IUQSWQVMPAHCJC-LLVKDONJSA-N -1 3 271.368 3.247 20 0 CGADHM CC[C@](C)(CC(=O)[O-])NCc1coc(-c2ccccc2)n1 ZINC000828664708 601582043 /nfs/dbraw/zinc/58/20/43/601582043.db2.gz GKAKAOXDJPCLRC-MRXNPFEDSA-N -1 3 288.347 3.075 20 0 CGADHM O=C([O-])c1ccc(CNC2(c3ccccc3)CC2)cc1F ZINC000833314503 601629123 /nfs/dbraw/zinc/62/91/23/601629123.db2.gz LQPJCWBXJSFAPX-UHFFFAOYSA-N -1 3 285.318 3.303 20 0 CGADHM Cc1[n-]n([C@H]2CCc3c2cccc3F)c(=O)c1C(C)C ZINC000899356613 620654208 /nfs/dbraw/zinc/65/42/08/620654208.db2.gz NVTLVTVMYOLKER-LSDHHAIUSA-N -1 3 274.339 3.303 20 0 CGADHM CCN(CC1CCN(Cc2ccc(F)cc2)CC1)C(=O)[O-] ZINC000827099052 603511163 /nfs/dbraw/zinc/51/11/63/603511163.db2.gz KGUHJEXMZGCKBF-UHFFFAOYSA-N -1 3 294.370 3.038 20 0 CGADHM C[C@H](CCSc1ccccc1)N1CC[C@](F)(C(=O)[O-])C1 ZINC000827422117 604436431 /nfs/dbraw/zinc/43/64/31/604436431.db2.gz LQBYJIDVUXYXKS-IUODEOHRSA-N -1 3 297.395 3.056 20 0 CGADHM C[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2)C[C@@H]1C(=O)[O-] ZINC000086774380 604666706 /nfs/dbraw/zinc/66/67/06/604666706.db2.gz USNNMEITOMYBPF-PELKAZGASA-N -1 3 288.174 3.146 20 0 CGADHM C[C@H]1CCc2ccccc2[C@H]1NCc1ccoc1C(=O)[O-] ZINC000833617851 605122908 /nfs/dbraw/zinc/12/29/08/605122908.db2.gz WRCNYDOKKRHIGA-NHYWBVRUSA-N -1 3 285.343 3.391 20 0 CGADHM CC[C@H](N[C@@H](C)C[C@@H]1CCCN1C(=O)[O-])c1nccs1 ZINC000826612692 605507350 /nfs/dbraw/zinc/50/73/50/605507350.db2.gz ALGHOGABPSWKJN-SRVKXCTJSA-N -1 3 297.424 3.105 20 0 CGADHM CCc1cccc(NCc2ccc(-c3nnn[n-]3)s2)c1 ZINC000821492162 606410778 /nfs/dbraw/zinc/41/07/78/606410778.db2.gz IQWOPJJZESWELW-UHFFFAOYSA-N -1 3 285.376 3.103 20 0 CGADHM Cc1cc(C)cc(CNc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000822196503 606457557 /nfs/dbraw/zinc/45/75/57/606457557.db2.gz LOVUGORGENLUMG-UHFFFAOYSA-N -1 3 297.337 3.235 20 0 CGADHM Cc1cc(C)cc(CNc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000822196503 606457558 /nfs/dbraw/zinc/45/75/58/606457558.db2.gz LOVUGORGENLUMG-UHFFFAOYSA-N -1 3 297.337 3.235 20 0 CGADHM C[C@H](SCC1CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820548658 606840749 /nfs/dbraw/zinc/84/07/49/606840749.db2.gz DWDFVGSYGHYRMB-VIFPVBQESA-N -1 3 260.366 3.071 20 0 CGADHM C[C@H](SCC1CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820548658 606840751 /nfs/dbraw/zinc/84/07/51/606840751.db2.gz DWDFVGSYGHYRMB-VIFPVBQESA-N -1 3 260.366 3.071 20 0 CGADHM CCN(Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000821222188 606963854 /nfs/dbraw/zinc/96/38/54/606963854.db2.gz PXLRIZPTYFRQEK-UHFFFAOYSA-N -1 3 297.337 3.032 20 0 CGADHM CCN(Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000821222188 606963855 /nfs/dbraw/zinc/96/38/55/606963855.db2.gz PXLRIZPTYFRQEK-UHFFFAOYSA-N -1 3 297.337 3.032 20 0 CGADHM Fc1ccc(-c2nnn[n-]2)c(CSCc2ccco2)c1 ZINC000822758648 607038772 /nfs/dbraw/zinc/03/87/72/607038772.db2.gz VCENPVBPDAOSIV-UHFFFAOYSA-N -1 3 290.323 3.032 20 0 CGADHM Fc1ccc(-c2nn[n-]n2)c(CSCc2ccco2)c1 ZINC000822758648 607038773 /nfs/dbraw/zinc/03/87/73/607038773.db2.gz VCENPVBPDAOSIV-UHFFFAOYSA-N -1 3 290.323 3.032 20 0 CGADHM Clc1cc(-c2nn[n-]n2)ccc1NCc1ccccc1 ZINC000822564120 607124104 /nfs/dbraw/zinc/12/41/04/607124104.db2.gz UZDQHHBUDKOGLJ-UHFFFAOYSA-N -1 3 285.738 3.132 20 0 CGADHM Cc1ccc(NCc2cccc(-c3nnn[n-]3)c2F)cc1C ZINC000826291684 608478956 /nfs/dbraw/zinc/47/89/56/608478956.db2.gz QWVRVEQJFFLIOM-UHFFFAOYSA-N -1 3 297.337 3.235 20 0 CGADHM Cc1ccc(NCc2cccc(-c3nn[n-]n3)c2F)cc1C ZINC000826291684 608478957 /nfs/dbraw/zinc/47/89/57/608478957.db2.gz QWVRVEQJFFLIOM-UHFFFAOYSA-N -1 3 297.337 3.235 20 0 CGADHM Cc1ccc([C@@H](C)Nc2cnccc2-c2nnn[n-]2)c(C)c1 ZINC000826282994 608777733 /nfs/dbraw/zinc/77/77/33/608777733.db2.gz HXJCAAFSNYAMEO-GFCCVEGCSA-N -1 3 294.362 3.052 20 0 CGADHM Cc1ccc([C@@H](C)Nc2cnccc2-c2nn[n-]n2)c(C)c1 ZINC000826282994 608777736 /nfs/dbraw/zinc/77/77/36/608777736.db2.gz HXJCAAFSNYAMEO-GFCCVEGCSA-N -1 3 294.362 3.052 20 0 CGADHM C[C@@H](Nc1ccccc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000824662955 609247262 /nfs/dbraw/zinc/24/72/62/609247262.db2.gz TWTYVBUIHWJEEW-SNVBAGLBSA-N -1 3 283.310 3.179 20 0 CGADHM C[C@@H](Nc1ccccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000824662955 609247264 /nfs/dbraw/zinc/24/72/64/609247264.db2.gz TWTYVBUIHWJEEW-SNVBAGLBSA-N -1 3 283.310 3.179 20 0 CGADHM O=C(Cc1cccc2ccccc21)[N-]OC/C=C/Cl ZINC000812400891 617770984 /nfs/dbraw/zinc/77/09/84/617770984.db2.gz FBHNKIYMIGJSAC-RUDMXATFSA-N -1 3 275.735 3.183 20 0 CGADHM Cc1nc(CNC[C@@H](C(=O)[O-])C2CCCCCC2)cs1 ZINC000900048325 620752532 /nfs/dbraw/zinc/75/25/32/620752532.db2.gz GJJZCBFEZJYIDN-CQSZACIVSA-N -1 3 296.436 3.212 20 0 CGADHM CCCCCC(C)(C)C(=O)[N-]O[C@@H]1CCCCO1 ZINC000177632789 617953512 /nfs/dbraw/zinc/95/35/12/617953512.db2.gz YLKASDXFYBUUJB-GFCCVEGCSA-N -1 3 257.374 3.167 20 0 CGADHM COc1cccc([O-])c1C(=O)N(C)C[C@H](C)c1ccccc1 ZINC000900525286 620792898 /nfs/dbraw/zinc/79/28/98/620792898.db2.gz CCUXSFOBNAUUTJ-ZDUSSCGKSA-N -1 3 299.370 3.277 20 0 CGADHM [O-]c1ccc(CN2CCOC[C@@H]2c2ccccc2)cc1F ZINC000892119586 618541358 /nfs/dbraw/zinc/54/13/58/618541358.db2.gz FXYBEQJWHQQWHA-MRXNPFEDSA-N -1 3 287.334 3.105 20 0 CGADHM CC1(C(=O)Nc2ccc(Cl)cc2[O-])CC=CC1 ZINC000935099987 618726641 /nfs/dbraw/zinc/72/66/41/618726641.db2.gz KUSCLQGZOFISFX-UHFFFAOYSA-N -1 3 251.713 3.340 20 0 CGADHM O=C([N-]c1ccon1)c1ccc(Oc2ccccc2)o1 ZINC000179526397 618794793 /nfs/dbraw/zinc/79/47/93/618794793.db2.gz QOJXLILJDQUQDJ-UHFFFAOYSA-N -1 3 270.244 3.312 20 0 CGADHM CCn1ncc(N[C@H](C)c2cc([O-])cc(F)c2)c1C ZINC000926838721 618925121 /nfs/dbraw/zinc/92/51/21/618925121.db2.gz GQSHBEUXGBQDSV-SECBINFHSA-N -1 3 263.316 3.229 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2ncsc2C2CC2)c1 ZINC000893280375 619064011 /nfs/dbraw/zinc/06/40/11/619064011.db2.gz VOOBKCBVIJPTBJ-UHFFFAOYSA-N -1 3 274.345 3.287 20 0 CGADHM Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C(C)C ZINC000103739430 619076828 /nfs/dbraw/zinc/07/68/28/619076828.db2.gz GEMBSFZOFVZOKX-LBPRGKRZSA-N -1 3 250.729 3.335 20 0 CGADHM [O-]c1ccc(CNc2cncc(Br)c2)cc1F ZINC000078295571 619270852 /nfs/dbraw/zinc/27/08/52/619270852.db2.gz IJQYVUSXWRFYDA-UHFFFAOYSA-N -1 3 297.127 3.301 20 0 CGADHM CCOc1ccc(CNCc2ccc(C(=O)[O-])s2)cc1 ZINC000006895931 619382514 /nfs/dbraw/zinc/38/25/14/619382514.db2.gz BZQDGEMFWQPQNU-UHFFFAOYSA-N -1 3 291.372 3.135 20 0 CGADHM CC[C@@H](Nc1cc(=O)[n-]c(COC)n1)c1ccccc1F ZINC000894423946 619530599 /nfs/dbraw/zinc/53/05/99/619530599.db2.gz UPIISTNRPWKWJQ-GFCCVEGCSA-N -1 3 291.326 3.031 20 0 CGADHM [O-]c1ccc(CN2CCS[C@H](C(F)(F)F)C2)cc1F ZINC000896452693 620009367 /nfs/dbraw/zinc/00/93/67/620009367.db2.gz HZIAERGHABZOLJ-NSHDSACASA-N -1 3 295.301 3.011 20 0 CGADHM COCCC1(c2noc(-c3ccccc3[O-])n2)CCCC1 ZINC000896628057 620038713 /nfs/dbraw/zinc/03/87/13/620038713.db2.gz SJGVWBDDXMHCJQ-UHFFFAOYSA-N -1 3 288.347 3.291 20 0 CGADHM O=C([N-]OCc1ccc(C(F)(F)F)cc1)C1(C2CC2)CC1 ZINC000897146348 620152431 /nfs/dbraw/zinc/15/24/31/620152431.db2.gz QZSUUPSJXRJDNB-UHFFFAOYSA-N -1 3 299.292 3.443 20 0 CGADHM O=C(C[C@H]1CCC2(CCC2)O1)Nc1ccc(Cl)cc1[O-] ZINC000897192729 620157600 /nfs/dbraw/zinc/15/76/00/620157600.db2.gz JWZQNZYJVUIXLT-LLVKDONJSA-N -1 3 295.766 3.476 20 0 CGADHM O=C(Nc1ccc(Cl)cc1[O-])[C@H]1CCOC2(CCC2)C1 ZINC000897193261 620157637 /nfs/dbraw/zinc/15/76/37/620157637.db2.gz YDIIRQCQSOKFEW-JTQLQIEISA-N -1 3 295.766 3.333 20 0 CGADHM Cc1cccc(C(=O)Nc2ccc3c(c2)CCCN3C)c1[O-] ZINC000303000386 620185653 /nfs/dbraw/zinc/18/56/53/620185653.db2.gz IAZCQBHMUCVDFM-UHFFFAOYSA-N -1 3 296.370 3.335 20 0 CGADHM C[C@@H](NCc1cccc([O-])c1Cl)c1cncs1 ZINC000897930513 620450553 /nfs/dbraw/zinc/45/05/53/620450553.db2.gz PZBKHBQGCGGUOK-MRVPVSSYSA-N -1 3 268.769 3.353 20 0 CGADHM CSc1ccc(Cl)cc1[N-]C(=O)c1ncccn1 ZINC000073080508 625429800 /nfs/dbraw/zinc/42/98/00/625429800.db2.gz NMTJYCREAUJUBY-UHFFFAOYSA-N -1 3 279.752 3.104 20 0 CGADHM C[C@H](NCc1cccc2c1OCC2)c1cccc([O-])c1F ZINC000927089866 620573357 /nfs/dbraw/zinc/57/33/57/620573357.db2.gz ITGIREVAEFQRPC-NSHDSACASA-N -1 3 287.334 3.317 20 0 CGADHM C[C@@H](NCc1cccc2c1OCC2)c1cccc([O-])c1F ZINC000927089862 620573414 /nfs/dbraw/zinc/57/34/14/620573414.db2.gz ITGIREVAEFQRPC-LLVKDONJSA-N -1 3 287.334 3.317 20 0 CGADHM Cc1cccc(CO[N-]C(=O)Cc2cccc(C3CC3)c2)n1 ZINC000898931422 620610189 /nfs/dbraw/zinc/61/01/89/620610189.db2.gz QZOYXQYQDQMMBI-UHFFFAOYSA-N -1 3 296.370 3.058 20 0 CGADHM O=C([O-])CC1CCN(CCc2ccc(F)cc2Cl)CC1 ZINC000901419029 620882287 /nfs/dbraw/zinc/88/22/87/620882287.db2.gz SXXQHXAUAYTCJQ-UHFFFAOYSA-N -1 3 299.773 3.208 20 0 CGADHM CCCc1cc(=O)[n-]c(C(=Cc2cncn2CC)CC)n1 ZINC000901502594 620902655 /nfs/dbraw/zinc/90/26/55/620902655.db2.gz LRPNJYFIPBLRLI-WQLSENKSSA-N -1 3 286.379 3.302 20 0 CGADHM Cc1cc(=O)[n-]c(CSCc2ccccc2CF)n1 ZINC000901768222 621017515 /nfs/dbraw/zinc/01/75/15/621017515.db2.gz CCWYVMUMOHRCCM-UHFFFAOYSA-N -1 3 278.352 3.394 20 0 CGADHM CC[C@@](NCc1ccoc1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000901872874 621054708 /nfs/dbraw/zinc/05/47/08/621054708.db2.gz NBTRSYWPJVQYAM-HNNXBMFYSA-N -1 3 293.750 3.413 20 0 CGADHM Cc1ccc([C@@H](NCc2cccc(C(=O)[O-])n2)C2CC2)cc1 ZINC000902085494 621139673 /nfs/dbraw/zinc/13/96/73/621139673.db2.gz AGCJLAGQERZDAA-QGZVFWFLSA-N -1 3 296.370 3.329 20 0 CGADHM Cc1ccc(C2(NCc3ccoc3C(=O)[O-])CCC2)cc1 ZINC000902309846 621249955 /nfs/dbraw/zinc/24/99/55/621249955.db2.gz ZZXNAUYHDQPGBF-UHFFFAOYSA-N -1 3 285.343 3.455 20 0 CGADHM Cc1cnc(CN[C@@H](C)CCCC(C)(C)C(=O)[O-])s1 ZINC000902324382 621262085 /nfs/dbraw/zinc/26/20/85/621262085.db2.gz NOTLCPDJERUJPQ-JTQLQIEISA-N -1 3 284.425 3.211 20 0 CGADHM CCO[C@@H]1C[C@H](NCc2cc(C(=O)[O-])co2)C1(CC)CC ZINC000902395045 621303936 /nfs/dbraw/zinc/30/39/36/621303936.db2.gz BSZKKUVHQBJMLY-UONOGXRCSA-N -1 3 295.379 3.051 20 0 CGADHM O=C([O-])/C=C/c1ccc(CN[C@@H]2C[C@H]2C2CCCCC2)o1 ZINC000902422447 621312355 /nfs/dbraw/zinc/31/23/55/621312355.db2.gz KZDJJSZZFIMRLY-OFTJQPPSSA-N -1 3 289.375 3.436 20 0 CGADHM Cc1cc(CN2C[C@H]3C[C@@]3(c3ccccc3)C2)oc1C(=O)[O-] ZINC000902549828 621373047 /nfs/dbraw/zinc/37/30/47/621373047.db2.gz QDHOTQNCNFOYJE-KDOFPFPSSA-N -1 3 297.354 3.060 20 0 CGADHM CCCCc1nc(CO[N-]C(=O)CC(C)(C)C)cs1 ZINC000842064108 621593848 /nfs/dbraw/zinc/59/38/48/621593848.db2.gz YVHDDUIXWZPJNG-UHFFFAOYSA-N -1 3 284.425 3.470 20 0 CGADHM CC[C@H](C)[C@@H](C(=O)[O-])N1CCc2sc(Cl)cc2C1 ZINC000903596533 621774242 /nfs/dbraw/zinc/77/42/42/621774242.db2.gz PDURZKKTSPYVNU-UFBFGSQYSA-N -1 3 287.812 3.259 20 0 CGADHM CN(CCCF)[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000903625120 621777071 /nfs/dbraw/zinc/77/70/71/621777071.db2.gz GHAGUOGLTGOXPL-LLVKDONJSA-N -1 3 294.153 3.411 20 0 CGADHM CCc1ccc(-c2nc([C@@H](C)[C@H]3CCCO3)no2)c([O-])c1 ZINC000903819844 621815321 /nfs/dbraw/zinc/81/53/21/621815321.db2.gz LFJQWRXGLWHLHM-IINYFYTJSA-N -1 3 288.347 3.287 20 0 CGADHM C[C@@H]1C[C@H](C)N(Cc2ccc(F)cc2F)[C@H](C)[C@H]1C(=O)[O-] ZINC000903951274 621841997 /nfs/dbraw/zinc/84/19/97/621841997.db2.gz SYYPZABXQTYPRG-RSQPEXBXSA-N -1 3 297.345 3.284 20 0 CGADHM C[C@]1(NCc2cccc(C(=O)[O-])c2)CCOc2ccccc21 ZINC000904262076 621898167 /nfs/dbraw/zinc/89/81/67/621898167.db2.gz WGZRXKGECOSCTK-SFHVURJKSA-N -1 3 297.354 3.172 20 0 CGADHM CCCCC1(NCc2ccc(/C=C\C(=O)[O-])o2)CC1 ZINC000905789727 622110081 /nfs/dbraw/zinc/11/00/81/622110081.db2.gz MGPHQYJZEAMMJP-SREVYHEPSA-N -1 3 263.337 3.190 20 0 CGADHM C/C=C/C[C@@H]1CCCN(C(=O)c2c([O-])cccc2OC)C1 ZINC000913354119 622760744 /nfs/dbraw/zinc/76/07/44/622760744.db2.gz ZMOVIJSKXOTCNJ-ITDFMYJTSA-N -1 3 289.375 3.219 20 0 CGADHM CCc1cc(C#N)c([N-]C(=O)c2ccnc(F)c2F)s1 ZINC000191368365 622866439 /nfs/dbraw/zinc/86/64/39/622866439.db2.gz GGCANHHIENOMTN-UHFFFAOYSA-N -1 3 293.298 3.108 20 0 CGADHM CC(C)c1nnc(C(=O)[N-]c2ncsc2C2CC2)s1 ZINC000914119291 623659087 /nfs/dbraw/zinc/65/90/87/623659087.db2.gz QLBODDBNWFMARR-UHFFFAOYSA-N -1 3 294.405 3.248 20 0 CGADHM N#Cc1ccc(C(=O)Nc2ccc([O-])cc2F)cc1Cl ZINC000152875998 623731188 /nfs/dbraw/zinc/73/11/88/623731188.db2.gz QVHRTOGLVVKZGU-UHFFFAOYSA-N -1 3 290.681 3.309 20 0 CGADHM CCCCCC[C@H](C)NC(=O)c1cc2c(cc1[O-])OCO2 ZINC000916963519 624223907 /nfs/dbraw/zinc/22/39/07/624223907.db2.gz UTMDCGRQHOQXRE-NSHDSACASA-N -1 3 293.363 3.210 20 0 CGADHM Cc1ncsc1CN(C)Cc1cccc(Cl)c1[O-] ZINC000180038760 624711553 /nfs/dbraw/zinc/71/15/53/624711553.db2.gz OCDLQROAUYQWIH-UHFFFAOYSA-N -1 3 282.796 3.443 20 0 CGADHM C[C@@H](c1ccco1)N(C)Cc1cc(=O)oc2cc([O-])ccc12 ZINC000182104850 624943634 /nfs/dbraw/zinc/94/36/34/624943634.db2.gz UYGAHPSSEHUJDI-NSHDSACASA-N -1 3 299.326 3.285 20 0 CGADHM CCC[C@@H](C)CC(=O)[N-]OCc1ccc(F)cc1 ZINC000184160081 625207784 /nfs/dbraw/zinc/20/77/84/625207784.db2.gz JPVRBIITFUQVQA-LLVKDONJSA-N -1 3 253.317 3.200 20 0 CGADHM Cc1cncc([C@H]2CCCN2Cc2cccc(C(=O)[O-])c2)c1 ZINC000873649144 634469322 /nfs/dbraw/zinc/46/93/22/634469322.db2.gz RWMGALXZWPDRNQ-QGZVFWFLSA-N -1 3 296.370 3.425 20 0 CGADHM C[C@H]1CN(C(=O)c2ccccc2[O-])Cc2ccccc21 ZINC000922319190 625996997 /nfs/dbraw/zinc/99/69/97/625996997.db2.gz VSTJIPBSJVOXCA-LBPRGKRZSA-N -1 3 267.328 3.152 20 0 CGADHM O=C(CCCC(F)(F)F)[N-]OCc1ccc(F)cc1 ZINC000754724536 626584778 /nfs/dbraw/zinc/58/47/78/626584778.db2.gz PKJPKKUCAPNLMB-UHFFFAOYSA-N -1 3 279.233 3.106 20 0 CGADHM O=C([N-][C@@H]1CCC[C@H](c2ccccc2)C1)C(F)(F)F ZINC000754754931 626586198 /nfs/dbraw/zinc/58/61/98/626586198.db2.gz VQWZWPZBCVULDK-NWDGAFQWSA-N -1 3 271.282 3.391 20 0 CGADHM Cc1cc(=O)[n-]c(CSCc2cc(F)ccc2F)n1 ZINC000763207901 627145359 /nfs/dbraw/zinc/14/53/59/627145359.db2.gz FBWNRPBKTLLGQR-UHFFFAOYSA-N -1 3 282.315 3.202 20 0 CGADHM O=C(OC/C(Cl)=C\Cl)c1cc(-c2ccco2)[n-]n1 ZINC000763920199 627185093 /nfs/dbraw/zinc/18/50/93/627185093.db2.gz KIAGATKKNJOPCS-FNORWQNLSA-N -1 3 287.102 3.146 20 0 CGADHM O=C(OC/C(Cl)=C\Cl)c1cc(-c2ccco2)n[n-]1 ZINC000763920199 627185094 /nfs/dbraw/zinc/18/50/94/627185094.db2.gz KIAGATKKNJOPCS-FNORWQNLSA-N -1 3 287.102 3.146 20 0 CGADHM Cc1cc(=O)[n-]c(CSCCc2ccccc2F)n1 ZINC000766822875 627363146 /nfs/dbraw/zinc/36/31/46/627363146.db2.gz MCTLHGYOKBRWHB-UHFFFAOYSA-N -1 3 278.352 3.106 20 0 CGADHM CC/C=C\CCOC(=O)c1ccc(NC(=O)OC)c([O-])c1 ZINC000767556042 627417173 /nfs/dbraw/zinc/41/71/73/627417173.db2.gz PSCKBGOBEDEENI-PLNGDYQASA-N -1 3 293.319 3.084 20 0 CGADHM O=C(OCc1ccc2ncccc2c1)c1ccc([O-])cc1 ZINC000770312730 627613303 /nfs/dbraw/zinc/61/33/03/627613303.db2.gz IXQNALUOLDVZQD-UHFFFAOYSA-N -1 3 279.295 3.297 20 0 CGADHM O=C(Nc1ccc(CO)cc1)c1cc2c(cc1[O-])CCCC2 ZINC000770525500 627624445 /nfs/dbraw/zinc/62/44/45/627624445.db2.gz AMKWFLTVPCLACI-UHFFFAOYSA-N -1 3 297.354 3.016 20 0 CGADHM CCO[N-]C(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2 ZINC000771893602 627742076 /nfs/dbraw/zinc/74/20/76/627742076.db2.gz SOPLEALKUPGPFZ-UHFFFAOYSA-N -1 3 265.397 3.441 20 0 CGADHM C[C@H]1C[C@H](CC(=O)[N-]OC2CCOCC2)CC(C)(C)C1 ZINC000772724083 627817817 /nfs/dbraw/zinc/81/78/17/627817817.db2.gz CAPBCEWFOFIDQQ-QWHCGFSZSA-N -1 3 283.412 3.066 20 0 CGADHM CCc1ccc(C(=O)CCC(=O)[N-]OC2CCCC2)cc1 ZINC000774870072 628045343 /nfs/dbraw/zinc/04/53/43/628045343.db2.gz WCFLKFXYYRXLME-UHFFFAOYSA-N -1 3 289.375 3.202 20 0 CGADHM CCCOc1ccc(CCC(=O)[N-]OC2CCCC2)cc1 ZINC000774874665 628046352 /nfs/dbraw/zinc/04/63/52/628046352.db2.gz LAMBQELVUWORHE-UHFFFAOYSA-N -1 3 291.391 3.398 20 0 CGADHM CCc1nc(COC(=O)c2cccc(Cl)c2[O-])cs1 ZINC000775934455 628149175 /nfs/dbraw/zinc/14/91/75/628149175.db2.gz OFWKAHTYIVFJEE-UHFFFAOYSA-N -1 3 297.763 3.422 20 0 CGADHM CC(C)n1ccc(COC(=O)c2cccc(Cl)c2[O-])n1 ZINC000775934346 628150227 /nfs/dbraw/zinc/15/02/27/628150227.db2.gz WBWFCIGVYKXWNJ-UHFFFAOYSA-N -1 3 294.738 3.180 20 0 CGADHM COc1ccccc1CCC(=O)[N-]OC1CCCCC1 ZINC000777949537 628314121 /nfs/dbraw/zinc/31/41/21/628314121.db2.gz NMCVWPRETAJAGK-UHFFFAOYSA-N -1 3 277.364 3.008 20 0 CGADHM Cc1ccc(C=C2SC(=O)[N-]C2=O)c(Br)c1 ZINC000874927844 634652706 /nfs/dbraw/zinc/65/27/06/634652706.db2.gz HNULGDMKBNBXAQ-UITAMQMPSA-N -1 3 298.161 3.081 20 0 CGADHM CC(C)CC1(C(=O)[N-]OCCC(F)(F)F)CCC1 ZINC000779324612 628407912 /nfs/dbraw/zinc/40/79/12/628407912.db2.gz AXMGVRFPBNNMOC-UHFFFAOYSA-N -1 3 267.291 3.203 20 0 CGADHM O=C1[N-]C(=O)C(=Cc2ccc(C(F)(F)F)s2)S1 ZINC000874929254 634653767 /nfs/dbraw/zinc/65/37/67/634653767.db2.gz XLEALJTXSYNYIB-HWKANZROSA-N -1 3 279.264 3.091 20 0 CGADHM Cc1cc(C(F)(F)F)ccc1C=C1SC(=O)[N-]C1=O ZINC000874928543 634654419 /nfs/dbraw/zinc/65/44/19/634654419.db2.gz PFGFHVDOUJCLEJ-UITAMQMPSA-N -1 3 287.262 3.338 20 0 CGADHM O=C(NCC1CCCCCCC1)c1cccc2n[n-]nc21 ZINC000780981480 628527712 /nfs/dbraw/zinc/52/77/12/628527712.db2.gz KSNRVEDHYAMGEL-UHFFFAOYSA-N -1 3 286.379 3.048 20 0 CGADHM CCCCCC(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000781987852 628608998 /nfs/dbraw/zinc/60/89/98/628608998.db2.gz OTTKYASQMGLYEO-UHFFFAOYSA-N -1 3 290.319 3.066 20 0 CGADHM CC1(C)CCC(=CC(=O)Nc2ncccc2[O-])CC1 ZINC000783646320 628735299 /nfs/dbraw/zinc/73/52/99/628735299.db2.gz RFOSJAKMRSCXQU-UHFFFAOYSA-N -1 3 260.337 3.252 20 0 CGADHM COc1ccccc1COC(=O)c1cc2occc2[n-]1 ZINC000786031904 628908739 /nfs/dbraw/zinc/90/87/39/628908739.db2.gz UAPUPROICUDXPZ-UHFFFAOYSA-N -1 3 271.272 3.127 20 0 CGADHM O=C(OCCc1ccccc1F)c1cc2occc2[n-]1 ZINC000786030664 628909069 /nfs/dbraw/zinc/90/90/69/628909069.db2.gz VLQHUYYCDFBELF-UHFFFAOYSA-N -1 3 273.263 3.300 20 0 CGADHM CO[C@H](C)COC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000810634849 628947293 /nfs/dbraw/zinc/94/72/93/628947293.db2.gz OSCWHSFPTFVFHC-ZCFIWIBFSA-N -1 3 273.741 3.075 20 0 CGADHM CCc1ccc([C@@H](C)CC(=O)[N-]OCCSC)cc1 ZINC000794193646 629520994 /nfs/dbraw/zinc/52/09/94/629520994.db2.gz MAIXGGNHEMKNRH-LBPRGKRZSA-N -1 3 281.421 3.153 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)Cc1coc2cc(F)ccc12 ZINC000794843638 629586806 /nfs/dbraw/zinc/58/68/06/629586806.db2.gz TTYSYLQVXBBOBN-JTQLQIEISA-N -1 3 279.311 3.208 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)CCC(=O)c1cc(C)ccc1C ZINC000794862294 629590625 /nfs/dbraw/zinc/59/06/25/629590625.db2.gz DBTUASKBPAPVRX-GFCCVEGCSA-N -1 3 291.391 3.360 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)CCc1cccc(Cl)c1 ZINC000794867311 629591601 /nfs/dbraw/zinc/59/16/01/629591601.db2.gz YEMZMWYEXTVEKR-LLVKDONJSA-N -1 3 269.772 3.367 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)C[C@H](C)c1cccc(F)c1 ZINC000794870097 629592497 /nfs/dbraw/zinc/59/24/97/629592497.db2.gz KRXGPUXXMPVSCH-NEPJUHHUSA-N -1 3 267.344 3.413 20 0 CGADHM CC(C)(C)c1csc(CNCCCCCC(=O)[O-])n1 ZINC000864504550 629848170 /nfs/dbraw/zinc/84/81/70/629848170.db2.gz WRFSFBMMOPVSEX-UHFFFAOYSA-N -1 3 284.425 3.175 20 0 CGADHM CS[C@@H](C)[C@H](C)OC(=O)c1cc(-c2ccc(C)o2)[n-]n1 ZINC000797188521 629905410 /nfs/dbraw/zinc/90/54/10/629905410.db2.gz RRWPRZHHNKCUDM-UWVGGRQHSA-N -1 3 294.376 3.275 20 0 CGADHM CS[C@@H](C)[C@H](C)OC(=O)c1cc(-c2ccc(C)o2)n[n-]1 ZINC000797188521 629905412 /nfs/dbraw/zinc/90/54/12/629905412.db2.gz RRWPRZHHNKCUDM-UWVGGRQHSA-N -1 3 294.376 3.275 20 0 CGADHM CC(=O)c1ccc(C(=O)N[C@H]2CCCC3(CC3)C2)cc1[O-] ZINC000888696641 634781486 /nfs/dbraw/zinc/78/14/86/634781486.db2.gz UUDZRBRHDGWXKY-ZDUSSCGKSA-N -1 3 287.359 3.047 20 0 CGADHM CC(C)(C)c1nc(C=Cc2cn(C3CC3)cn2)cc(=O)[n-]1 ZINC000865223185 630029425 /nfs/dbraw/zinc/02/94/25/630029425.db2.gz FACMNBFUHPIGII-PLNGDYQASA-N -1 3 284.363 3.182 20 0 CGADHM Cc1cc(=O)[n-]c(CSCc2ccc(C)c(Cl)n2)n1 ZINC000865278680 630045738 /nfs/dbraw/zinc/04/57/38/630045738.db2.gz JEKMWAJSUXAVPA-UHFFFAOYSA-N -1 3 295.795 3.281 20 0 CGADHM CCC(CC)CC(=O)[N-]OCc1ccccc1OC ZINC000799097853 630142971 /nfs/dbraw/zinc/14/29/71/630142971.db2.gz WLDUTCDXDXLDNF-UHFFFAOYSA-N -1 3 265.353 3.069 20 0 CGADHM COc1ccccc1CO[N-]C(=O)C[C@H]1CCC[C@@H](C)C1 ZINC000799099708 630143083 /nfs/dbraw/zinc/14/30/83/630143083.db2.gz ZWIRAYLIHWICEF-KGLIPLIRSA-N -1 3 291.391 3.459 20 0 CGADHM CS[C@H]1CCN(C(=O)c2cc3sccc3c([O-])c2)C1 ZINC000836796923 634804299 /nfs/dbraw/zinc/80/42/99/634804299.db2.gz WBACUGAXAMSUQC-JTQLQIEISA-N -1 3 293.413 3.184 20 0 CGADHM O=C(Cc1coc2ccccc12)[N-]OCc1ccc(F)cc1 ZINC000803105037 630447969 /nfs/dbraw/zinc/44/79/69/630447969.db2.gz HQVCTOZTFZNIBE-UHFFFAOYSA-N -1 3 299.301 3.362 20 0 CGADHM O=C(Cc1coc2ccccc12)[N-]OC1CCCCC1 ZINC000803128279 630448972 /nfs/dbraw/zinc/44/89/72/630448972.db2.gz HEYOLDRXRYXRQS-UHFFFAOYSA-N -1 3 273.332 3.356 20 0 CGADHM CCOC1CC(COC(=O)c2cccc(Cl)c2[O-])C1 ZINC000803420237 630476125 /nfs/dbraw/zinc/47/61/25/630476125.db2.gz DEJSIKHDSQJBQL-UHFFFAOYSA-N -1 3 284.739 3.018 20 0 CGADHM O=C(OCc1ccncc1)c1cc2sccc2c([O-])c1 ZINC000803501617 630483274 /nfs/dbraw/zinc/48/32/74/630483274.db2.gz IZDRKILWIIAYAV-UHFFFAOYSA-N -1 3 285.324 3.359 20 0 CGADHM C[C@H]([N-]C(=O)C(C)(F)F)c1cccc(OC(F)(F)F)c1 ZINC000808464854 630648552 /nfs/dbraw/zinc/64/85/52/630648552.db2.gz XSYJQPDVDNNDII-ZETCQYMHSA-N -1 3 297.223 3.418 20 0 CGADHM Cc1ccc(-c2cc(C(=O)O[C@@H]3CCCC[C@H]3F)n[n-]2)o1 ZINC000810895908 630980342 /nfs/dbraw/zinc/98/03/42/630980342.db2.gz DDFZCHAJUAUBTB-ZWNOBZJWSA-N -1 3 292.310 3.416 20 0 CGADHM Cc1ccc(-c2cc(C(=O)O[C@@H]3CCCC[C@H]3F)[n-]n2)o1 ZINC000810895908 630980347 /nfs/dbraw/zinc/98/03/47/630980347.db2.gz DDFZCHAJUAUBTB-ZWNOBZJWSA-N -1 3 292.310 3.416 20 0 CGADHM O=C(CCc1ccc(Cl)s1)[N-]OC/C=C/Cl ZINC000812404921 631246544 /nfs/dbraw/zinc/24/65/44/631246544.db2.gz MGLRMJTXWBPZEH-LZCJLJQNSA-N -1 3 280.176 3.134 20 0 CGADHM O=C(C[C@@H]1CCCc2ccccc21)[N-]OC/C=C/Cl ZINC000812407241 631248870 /nfs/dbraw/zinc/24/88/70/631248870.db2.gz IEFRFSDAUGQUNG-FAFAAHBOSA-N -1 3 279.767 3.297 20 0 CGADHM CC1(C)CCC(CC(=O)[N-]OC/C=C\Cl)CC1 ZINC000812407831 631249106 /nfs/dbraw/zinc/24/91/06/631249106.db2.gz OMAPAFNAXVREIU-BAQGIRSFSA-N -1 3 259.777 3.393 20 0 CGADHM COc1ccc(SCCCC(=O)[N-]OC2CCC2)cc1 ZINC000812794245 631312302 /nfs/dbraw/zinc/31/23/02/631312302.db2.gz WJDUWLHMDPIEPX-UHFFFAOYSA-N -1 3 295.404 3.168 20 0 CGADHM COCc1ccccc1C=C(C)C=Cc1nccc(=O)[n-]1 ZINC000814190971 631544426 /nfs/dbraw/zinc/54/44/26/631544426.db2.gz XLXHVOYGLOTFHV-DYYHYMPESA-N -1 3 282.343 3.445 20 0 CGADHM Cc1cc2c(cc1NCc1c(F)ccc([O-])c1F)OCO2 ZINC000816566543 632015028 /nfs/dbraw/zinc/01/50/28/632015028.db2.gz YGCCQSNHIGYGSP-UHFFFAOYSA-N -1 3 293.269 3.320 20 0 CGADHM C[C@@H](CC(=O)[N-]Oc1ccccc1)c1ccccc1F ZINC000816684864 632043097 /nfs/dbraw/zinc/04/30/97/632043097.db2.gz UCCJINLVSJECOG-LBPRGKRZSA-N -1 3 273.307 3.430 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)C1(Cc2ccc(F)cc2)CC1 ZINC000816980626 632069660 /nfs/dbraw/zinc/06/96/60/632069660.db2.gz PHIYZVKOLOEDGQ-LBPRGKRZSA-N -1 3 279.355 3.242 20 0 CGADHM CC[C@H]1CC[C@H](NC(=O)c2nnc3ccccc3c2[O-])CC1 ZINC000817216353 632095111 /nfs/dbraw/zinc/09/51/11/632095111.db2.gz XBXOTKAPJSTSJC-HAQNSBGRSA-N -1 3 299.374 3.034 20 0 CGADHM CCc1ccc([C@H](C)CC(=O)[N-]OCC2CC2)cc1 ZINC000817324724 632119780 /nfs/dbraw/zinc/11/97/80/632119780.db2.gz NMQJUSBIRSSBNH-GFCCVEGCSA-N -1 3 261.365 3.200 20 0 CGADHM O=C(Cc1c(Cl)cccc1Cl)[N-]OCCC1CC1 ZINC000817446596 632161111 /nfs/dbraw/zinc/16/11/11/632161111.db2.gz QTVUXCGRAJRMMQ-UHFFFAOYSA-N -1 3 288.174 3.384 20 0 CGADHM Nc1ccc(C(=O)N2CCC[C@@H]2c2cccs2)c([O-])c1 ZINC000817907809 632234053 /nfs/dbraw/zinc/23/40/53/632234053.db2.gz HWIKPEODDAHNTK-GFCCVEGCSA-N -1 3 288.372 3.013 20 0 CGADHM CN(C(=O)c1ccc(N)cc1[O-])C1CCCCCCC1 ZINC000817930310 632236277 /nfs/dbraw/zinc/23/62/77/632236277.db2.gz AKTOAEISHLXDNY-UHFFFAOYSA-N -1 3 276.380 3.159 20 0 CGADHM CCOC([O-])=NOCCOc1c(Cl)cccc1Cl ZINC000818106373 632288474 /nfs/dbraw/zinc/28/84/74/632288474.db2.gz QJBNZZLZRGTUNM-UHFFFAOYSA-N -1 3 294.134 3.050 20 0 CGADHM CCOC(=O)[N-]OCCOc1c(Cl)cccc1Cl ZINC000818106373 632288477 /nfs/dbraw/zinc/28/84/77/632288477.db2.gz QJBNZZLZRGTUNM-UHFFFAOYSA-N -1 3 294.134 3.050 20 0 CGADHM CC(C)CO[N-]C(=O)[C@H]1C2CCC(CC2)[C@@H]1C(F)(F)F ZINC000819417892 632455011 /nfs/dbraw/zinc/45/50/11/632455011.db2.gz NYPVZKWSENGAAI-QQFIATSDSA-N -1 3 293.329 3.305 20 0 CGADHM O=C(Nc1[nH][n-]c2cc(=O)ccc1-2)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000820175837 632582480 /nfs/dbraw/zinc/58/24/80/632582480.db2.gz PKXBKVSPGBKXIC-XHVZSJERSA-N -1 3 285.347 3.033 20 0 CGADHM O=C(C[C@H]1CC[C@H](C2CC2)O1)Nc1c([O-])cccc1Cl ZINC000820559791 632646799 /nfs/dbraw/zinc/64/67/99/632646799.db2.gz ZDTZVRRNSGWUMD-ZWNOBZJWSA-N -1 3 295.766 3.332 20 0 CGADHM C[C@@H]1CN(C(=O)c2[n-]cnc2C(F)(F)F)c2ccccc21 ZINC000822181826 632883802 /nfs/dbraw/zinc/88/38/02/632883802.db2.gz AUWVYIZQBNRBAX-MRVPVSSYSA-N -1 3 295.264 3.192 20 0 CGADHM C[C@@H]1CN(C(=O)c2nc[n-]c2C(F)(F)F)c2ccccc21 ZINC000822181826 632883806 /nfs/dbraw/zinc/88/38/06/632883806.db2.gz AUWVYIZQBNRBAX-MRVPVSSYSA-N -1 3 295.264 3.192 20 0 CGADHM Cc1c(N[C@@H](C)Cc2ccsc2)cccc1-c1nnn[n-]1 ZINC000826242305 633409509 /nfs/dbraw/zinc/40/95/09/633409509.db2.gz JKHTVDWVSGKYHN-JTQLQIEISA-N -1 3 299.403 3.280 20 0 CGADHM Cc1c(N[C@@H](C)Cc2ccsc2)cccc1-c1nn[n-]n1 ZINC000826242305 633409511 /nfs/dbraw/zinc/40/95/11/633409511.db2.gz JKHTVDWVSGKYHN-JTQLQIEISA-N -1 3 299.403 3.280 20 0 CGADHM CC(C)c1ccc(CN[C@H](C(=O)[O-])c2cccnc2)cc1 ZINC000827124146 633461484 /nfs/dbraw/zinc/46/14/84/633461484.db2.gz JUFSUYURAAJGBU-INIZCTEOSA-N -1 3 284.359 3.121 20 0 CGADHM O=C(C[C@H]1CCCC1(F)F)[N-]OCCCC(F)(F)F ZINC000828335913 633606549 /nfs/dbraw/zinc/60/65/49/633606549.db2.gz IYJJYALFHQJERA-MRVPVSSYSA-N -1 3 289.244 3.202 20 0 CGADHM CCC(C)(C)CC(=O)[N-]OCCCC(F)(F)F ZINC000871212791 633728464 /nfs/dbraw/zinc/72/84/64/633728464.db2.gz CXMKIRIIFIHTRB-UHFFFAOYSA-N -1 3 255.280 3.203 20 0 CGADHM Cc1ccncc1CN[C@H](C)c1cccc([O-])c1F ZINC000872076708 633999778 /nfs/dbraw/zinc/99/97/78/633999778.db2.gz QINKUOKBQWPGRA-LLVKDONJSA-N -1 3 260.312 3.086 20 0 CGADHM CCc1ccc(C(=O)N2CCC(CSC)CC2)c([O-])c1 ZINC000834350941 634150783 /nfs/dbraw/zinc/15/07/83/634150783.db2.gz JQGXIJWDMFILCO-UHFFFAOYSA-N -1 3 293.432 3.170 20 0 CGADHM CO[C@H]1C[C@@H](COC(=O)c2cc3sccc3c([O-])c2)C1 ZINC000873382553 634351696 /nfs/dbraw/zinc/35/16/96/634351696.db2.gz ASXSOUSUHCODHE-JGZJWPJOSA-N -1 3 292.356 3.189 20 0 CGADHM CCC(CC)[C@@H](C)C(=O)OCc1cc(=O)[n-]c(C2CC2)n1 ZINC000837603483 634947544 /nfs/dbraw/zinc/94/75/44/634947544.db2.gz CKXLZBPIAUEVRA-SNVBAGLBSA-N -1 3 292.379 3.175 20 0 CGADHM CC(C)(CC(=O)COC(=O)c1cc2occc2[n-]1)C1CC1 ZINC000837682201 634964327 /nfs/dbraw/zinc/96/43/27/634964327.db2.gz MNBOLAMHRDLEQE-UHFFFAOYSA-N -1 3 289.331 3.313 20 0 CGADHM Cc1ccsc1CN(CCc1ccccc1)CC(=O)[O-] ZINC000840995237 635099978 /nfs/dbraw/zinc/09/99/78/635099978.db2.gz XERNDFQSUQOXOR-UHFFFAOYSA-N -1 3 289.400 3.186 20 0 CGADHM O=C1N[C@H](c2ccc([O-])cc2F)Nc2ccc(Cl)cc21 ZINC000877849717 635240442 /nfs/dbraw/zinc/24/04/42/635240442.db2.gz GGIPTZMHKYYWSK-CYBMUJFWSA-N -1 3 292.697 3.039 20 0 CGADHM Cc1cc(CO[N-]C(=O)CC(C)(C)C)c(C)s1 ZINC000842064116 635272218 /nfs/dbraw/zinc/27/22/18/635272218.db2.gz YYQJNOVPNDSIIL-UHFFFAOYSA-N -1 3 255.383 3.349 20 0 CGADHM Cc1ccc(-c2cc(C(=O)OC[C@H](C)CC(F)F)n[n-]2)o1 ZINC000842440959 635367897 /nfs/dbraw/zinc/36/78/97/635367897.db2.gz WROBMGAYGGZDPQ-MRVPVSSYSA-N -1 3 298.289 3.426 20 0 CGADHM Cc1ccc(-c2cc(C(=O)OC[C@H](C)CC(F)F)[n-]n2)o1 ZINC000842440959 635367902 /nfs/dbraw/zinc/36/79/02/635367902.db2.gz WROBMGAYGGZDPQ-MRVPVSSYSA-N -1 3 298.289 3.426 20 0 CGADHM CC(C)[C@H](N)c1noc(-c2cc3ccccc3cc2[O-])n1 ZINC000843146844 635572793 /nfs/dbraw/zinc/57/27/93/635572793.db2.gz SNDLFRXXZPZSID-AWEZNQCLSA-N -1 3 283.331 3.251 20 0 CGADHM CC(C)(CC(=O)[N-]OCCC(F)(F)F)CC(F)(F)F ZINC000879566274 635812116 /nfs/dbraw/zinc/81/21/16/635812116.db2.gz DZEMEYWAHKCAQC-UHFFFAOYSA-N -1 3 295.223 3.355 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)CC(C)(C)CC(F)F ZINC000880090577 635911282 /nfs/dbraw/zinc/91/12/82/635911282.db2.gz MCZFULXGTLADOK-VIFPVBQESA-N -1 3 251.317 3.152 20 0 CGADHM C[C@@H](NCc1ncc(-c2ccccc2)s1)[C@@H](C)C(=O)[O-] ZINC000846228904 636163975 /nfs/dbraw/zinc/16/39/75/636163975.db2.gz SKMRHIHXGUWFNZ-GHMZBOCLSA-N -1 3 290.388 3.009 20 0 CGADHM COc1ccc2c(c1)C[C@H](C)N(C/C=C(/C)C(=O)[O-])[C@@H]2C ZINC000846258899 636169328 /nfs/dbraw/zinc/16/93/28/636169328.db2.gz LHKWLUPACIQUMV-HGIZFUKPSA-N -1 3 289.375 3.034 20 0 CGADHM CCCCCC[C@H](C)CC(=O)Nc1nc[n-]c1C(=O)OC ZINC000847017485 636311644 /nfs/dbraw/zinc/31/16/44/636311644.db2.gz LXGIAILFQAWEHG-NSHDSACASA-N -1 3 295.383 3.131 20 0 CGADHM CCCCCC[C@H](C)CC(=O)Nc1[n-]cnc1C(=O)OC ZINC000847017485 636311648 /nfs/dbraw/zinc/31/16/48/636311648.db2.gz LXGIAILFQAWEHG-NSHDSACASA-N -1 3 295.383 3.131 20 0 CGADHM CC[C@H](OC(=O)c1cccc2nn[n-]c21)c1ccccc1 ZINC000800208116 636957773 /nfs/dbraw/zinc/95/77/73/636957773.db2.gz CXBKYIMVNUOGKI-AWEZNQCLSA-N -1 3 281.315 3.266 20 0 CGADHM CC[C@H](OC(=O)c1cccc2[n-]nnc21)c1ccccc1 ZINC000800208116 636957777 /nfs/dbraw/zinc/95/77/77/636957777.db2.gz CXBKYIMVNUOGKI-AWEZNQCLSA-N -1 3 281.315 3.266 20 0 CGADHM CC[C@H](OC(=O)c1cccc2n[n-]nc21)c1ccccc1 ZINC000800208116 636957782 /nfs/dbraw/zinc/95/77/82/636957782.db2.gz CXBKYIMVNUOGKI-AWEZNQCLSA-N -1 3 281.315 3.266 20 0 CGADHM O=C(N[C@]12C[C@H]1CCC2)c1cc2sccc2c([O-])c1 ZINC000887033641 637730555 /nfs/dbraw/zinc/73/05/55/637730555.db2.gz ADILQDNISVCBEN-MEBBXXQBSA-N -1 3 273.357 3.279 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)C(C)(C)CC(F)(F)F ZINC000854603063 638077310 /nfs/dbraw/zinc/07/73/10/638077310.db2.gz UCKMFJRKWXQIJQ-MRVPVSSYSA-N -1 3 255.280 3.059 20 0 CGADHM O=C1[N-]C(=O)C(=Cc2cc(Cl)cc(Cl)c2)S1 ZINC000034039955 638421255 /nfs/dbraw/zinc/42/12/55/638421255.db2.gz FLVPHWLHRTVQAG-BAQGIRSFSA-N -1 3 274.128 3.317 20 0 CGADHM C[C@H](Nc1cnn(CC(F)F)c1)c1cc([O-])cc(F)c1 ZINC000925910294 638651991 /nfs/dbraw/zinc/65/19/91/638651991.db2.gz UZLBXKDZONNANM-QMMMGPOBSA-N -1 3 285.269 3.166 20 0 CGADHM C[C@H](N[C@H]1C[C@@H](C)n2ccnc21)c1cc([O-])cc(F)c1 ZINC000926534371 638782243 /nfs/dbraw/zinc/78/22/43/638782243.db2.gz ZEIKLQSVQAGIPY-BFVZDQMLSA-N -1 3 275.327 3.084 20 0 CGADHM Cc1nc2c(c(=O)[n-]1)CN([C@H](C)c1ccc(Cl)cc1)C2 ZINC000931311346 639133334 /nfs/dbraw/zinc/13/33/34/639133334.db2.gz HSEBLKMYSGLAIO-SECBINFHSA-N -1 3 289.766 3.221 20 0 CGADHM Cc1cccc([O-])c1C(=O)N(C)[C@H]1CCc2ccccc2C1 ZINC000859391459 639135210 /nfs/dbraw/zinc/13/52/10/639135210.db2.gz KIMCCKWWYJCJRH-INIZCTEOSA-N -1 3 295.382 3.330 20 0 CGADHM Cc1cc(CN2CCC3(C[C@@H]3C(=O)[O-])CC2)ccc1Cl ZINC000859806777 639220462 /nfs/dbraw/zinc/22/04/62/639220462.db2.gz MVPBZQYRQVIDHK-CYBMUJFWSA-N -1 3 293.794 3.335 20 0 CGADHM CC[C@@H](NCc1nc(C)cc(=O)[n-]1)c1cc(C)ccc1C ZINC000859936314 639257712 /nfs/dbraw/zinc/25/77/12/639257712.db2.gz PJAQTVGTZCPYPM-OAHLLOKOSA-N -1 3 285.391 3.348 20 0 CGADHM C[C@@H]1CN(Cc2c([O-])ccc(Cl)c2F)CCS1 ZINC000191319352 640301944 /nfs/dbraw/zinc/30/19/44/640301944.db2.gz UVHUWINTFKFGPD-MRVPVSSYSA-N -1 3 275.776 3.122 20 0 CGADHM C=CCN(CCOC)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000191764143 640329323 /nfs/dbraw/zinc/32/93/23/640329323.db2.gz QYDDAUSYICYPFB-UHFFFAOYSA-N -1 3 290.190 3.333 20 0 CGADHM Cc1ccc(C)c(OCCC(=O)[N-]OCc2ccccc2)c1 ZINC000253479504 640888109 /nfs/dbraw/zinc/88/81/09/640888109.db2.gz QTOCOUNWAZDPGX-UHFFFAOYSA-N -1 3 299.370 3.320 20 0 CGADHM CCn1ccnc1-c1nc2c([n-]1)c(F)c(F)c(F)c2F ZINC001250533265 805681691 /nfs/dbraw/zinc/68/16/91/805681691.db2.gz UJCLDWSQMZQDRK-UHFFFAOYSA-N -1 3 284.216 3.003 20 0 CGADHM COc1ccc(-c2c(F)ccc([O-])c2F)c(OC)c1 ZINC001250617365 805728650 /nfs/dbraw/zinc/72/86/50/805728650.db2.gz NPFKVBVWKIDAKU-UHFFFAOYSA-N -1 3 266.243 3.355 20 0 CGADHM CN(C)c1ccc2nc(-c3cccc(F)c3[O-])[nH]c2c1 ZINC001250683972 805754637 /nfs/dbraw/zinc/75/46/37/805754637.db2.gz VADSDCXSIVOCPB-UHFFFAOYSA-N -1 3 271.295 3.141 20 0 CGADHM COc1ccc2[nH]c(-c3cc([O-])cc(F)c3)nc2c1 ZINC001251569737 805908338 /nfs/dbraw/zinc/90/83/38/805908338.db2.gz LMRZIJZYVWROQU-UHFFFAOYSA-N -1 3 258.252 3.083 20 0 CGADHM CCc1c(Cl)cc(NC[C@H](O)CC)c([O-])c1Cl ZINC001251793945 805936313 /nfs/dbraw/zinc/93/63/13/805936313.db2.gz ZIQACSXTOGHTNQ-SSDOTTSWSA-N -1 3 278.179 3.444 20 0 CGADHM [O-]c1cccc2sc(NC[C@H](O)c3ccccc3)nc21 ZINC001251978209 805960745 /nfs/dbraw/zinc/96/07/45/805960745.db2.gz OSWGKGRZUQPEDL-LBPRGKRZSA-N -1 3 286.356 3.147 20 0 CGADHM CCCC[C@H](O)CNc1cccc([O-])c1Br ZINC001252106468 805998609 /nfs/dbraw/zinc/99/86/09/805998609.db2.gz ZWYLNIMMTLPOHA-VIFPVBQESA-N -1 3 288.185 3.118 20 0 CGADHM O=C(CCNc1ccccc1)Nc1ccc(Cl)cc1[O-] ZINC001253711723 806281914 /nfs/dbraw/zinc/28/19/14/806281914.db2.gz DRHUVKCEHIMNBR-UHFFFAOYSA-N -1 3 290.750 3.486 20 0 CGADHM O[C@@H](CN[C@@H]1C=CC[CH]1)C(c1ccccc1)c1ccccc1 ZINC001253938237 806321337 /nfs/dbraw/zinc/32/13/37/806321337.db2.gz MKIYCQFCSLTUMR-MOPGFXCFSA-N -1 3 292.402 3.302 20 0 CGADHM CC(C)CO[N-]C(=O)[C@@H]1[C@@H](c2ccccc2)C1(C)C ZINC001161056046 806344570 /nfs/dbraw/zinc/34/45/70/806344570.db2.gz FZHDSPCKDPMOGJ-KGLIPLIRSA-N -1 3 261.365 3.130 20 0 CGADHM Cc1ccccc1Oc1cccc(NC(=O)c2cnn[n-]2)c1 ZINC001161866546 806474487 /nfs/dbraw/zinc/47/44/87/806474487.db2.gz WGZLWTZTFQKILK-UHFFFAOYSA-N -1 3 294.314 3.158 20 0 CGADHM Cc1ccccc1Oc1cccc(NC(=O)c2c[n-]nn2)c1 ZINC001161866546 806474489 /nfs/dbraw/zinc/47/44/89/806474489.db2.gz WGZLWTZTFQKILK-UHFFFAOYSA-N -1 3 294.314 3.158 20 0 CGADHM Cc1ccccc1Oc1cccc(NC(=O)c2cn[n-]n2)c1 ZINC001161866546 806474493 /nfs/dbraw/zinc/47/44/93/806474493.db2.gz WGZLWTZTFQKILK-UHFFFAOYSA-N -1 3 294.314 3.158 20 0 CGADHM COc1cccc([O-])c1C(=O)N[C@@H](C)[C@H]1CCC[C@H](C)C1 ZINC001161931575 806484348 /nfs/dbraw/zinc/48/43/48/806484348.db2.gz BRLZKOCFCZANJL-AVGNSLFASA-N -1 3 291.391 3.345 20 0 CGADHM [O-]c1ccc(Br)c(-c2nnc(C3CCC3)o2)c1 ZINC001255252312 806584114 /nfs/dbraw/zinc/58/41/14/806584114.db2.gz JELGVUGRISIQFP-UHFFFAOYSA-N -1 3 295.136 3.472 20 0 CGADHM Cc1cccc([O-])c1C(=O)Nc1cc(-c2cccs2)[nH]n1 ZINC001162819098 806669617 /nfs/dbraw/zinc/66/96/17/806669617.db2.gz ZNKXXOZMYCHTQQ-UHFFFAOYSA-N -1 3 299.355 3.405 20 0 CGADHM Cc1ccc(Nc2ncc(Cl)cc2[O-])cc1O ZINC001211690800 814932678 /nfs/dbraw/zinc/93/26/78/814932678.db2.gz QKBFAVLAWKYLPV-UHFFFAOYSA-N -1 3 250.685 3.198 20 0 CGADHM CC(C)(C)O[N-]C(=O)CCc1ccc(Cl)cc1 ZINC000126324063 799007282 /nfs/dbraw/zinc/00/72/82/799007282.db2.gz VRWZEYRGEUJEHE-UHFFFAOYSA-N -1 3 255.745 3.119 20 0 CGADHM C/C=C(\C)C(=O)Nc1cc(Br)ccc1[O-] ZINC000179657068 799109843 /nfs/dbraw/zinc/10/98/43/799109843.db2.gz GFLICUMMYNVYFY-XVNBXDOJSA-N -1 3 270.126 3.059 20 0 CGADHM C[C@@H]1C[C@H](C(=O)[O-])CN(Cc2ccc(F)cc2Cl)C1 ZINC000263091138 799179285 /nfs/dbraw/zinc/17/92/85/799179285.db2.gz AGGPILAWIALGOS-KOLCDFICSA-N -1 3 285.746 3.022 20 0 CGADHM CCc1nc(CNCc2ccc([O-])c(Cl)c2)cs1 ZINC000328499663 799253277 /nfs/dbraw/zinc/25/32/77/799253277.db2.gz WNZDSTBNPLJLEO-UHFFFAOYSA-N -1 3 282.796 3.354 20 0 CGADHM [O-]c1cccc(CN2CCC(c3cn[nH]c3)CC2)c1Cl ZINC000350661734 799315889 /nfs/dbraw/zinc/31/58/89/799315889.db2.gz SKTRPFOBFJWNOC-UHFFFAOYSA-N -1 3 291.782 3.148 20 0 CGADHM CC[C@@H](NC(=O)c1ccc(C)cc1[O-])C1CCCC1 ZINC000382854635 799398111 /nfs/dbraw/zinc/39/81/11/799398111.db2.gz AESHSMOCZDBBEW-CQSZACIVSA-N -1 3 261.365 3.399 20 0 CGADHM Cc1ccc(C(=O)NC[C@H]2CCCC2(C)C)c([O-])c1 ZINC000388991281 799458725 /nfs/dbraw/zinc/45/87/25/799458725.db2.gz AISCKRHDZPRMBG-GFCCVEGCSA-N -1 3 261.365 3.257 20 0 CGADHM CC(C)(C)c1nc(CNCCCC(C)(C)C(=O)[O-])cs1 ZINC001255787088 806750676 /nfs/dbraw/zinc/75/06/76/806750676.db2.gz VBTOQWKCHITAFV-UHFFFAOYSA-N -1 3 298.452 3.421 20 0 CGADHM CCN(CCC(=O)[O-])Cc1csc(C(F)(F)F)c1 ZINC000703286952 799921404 /nfs/dbraw/zinc/92/14/04/799921404.db2.gz ZQNGESJHGDUFQU-UHFFFAOYSA-N -1 3 281.299 3.064 20 0 CGADHM CCC1(C(=O)[N-]OCc2ccccc2OC)CCCC1 ZINC000799093258 800394667 /nfs/dbraw/zinc/39/46/67/800394667.db2.gz NSHJFIMJIMJITR-UHFFFAOYSA-N -1 3 277.364 3.213 20 0 CGADHM CCOc1ccc(CCN(C)C(=O)c2ccccc2[O-])cc1 ZINC000890971408 800560717 /nfs/dbraw/zinc/56/07/17/800560717.db2.gz CDCDXMRAEYWVGD-UHFFFAOYSA-N -1 3 299.370 3.106 20 0 CGADHM Cc1ccc2ncc([O-])c(-c3nnc([C@@H]4C[C@H]4C)o3)c2c1 ZINC001256644049 806937360 /nfs/dbraw/zinc/93/73/60/806937360.db2.gz CGHWBLBGFMHJDU-NXEZZACHSA-N -1 3 281.315 3.422 20 0 CGADHM O=c1[nH][n-]cc1CCCNc1ccc(-c2cccs2)cc1 ZINC001164382063 806944366 /nfs/dbraw/zinc/94/43/66/806944366.db2.gz KDODNEOBPFBDKX-CYBMUJFWSA-N -1 3 299.399 3.339 20 0 CGADHM C[C@H]1C[C@H]1c1nnc(-c2cc([O-])cc(Br)c2)o1 ZINC001256747404 806971230 /nfs/dbraw/zinc/97/12/30/806971230.db2.gz LNXQAWLDINKXSK-QUBYGPBYSA-N -1 3 295.136 3.328 20 0 CGADHM Cc1cc(=O)[n-]c(CSc2ncc(-c3ccccc3)o2)n1 ZINC001116276532 802322113 /nfs/dbraw/zinc/32/21/13/802322113.db2.gz SIJKRWFHXIFNFU-UHFFFAOYSA-N -1 3 299.355 3.438 20 0 CGADHM CC(C)c1ocnc1COC(=O)c1cc2occc2[n-]1 ZINC001116836316 802418152 /nfs/dbraw/zinc/41/81/52/802418152.db2.gz XCDJTFGELVPQIZ-UHFFFAOYSA-N -1 3 274.276 3.229 20 0 CGADHM CC(C)c1cnc(CN[C@@H](C)[C@H](C(=O)[O-])C(C)C)s1 ZINC001118091338 802524941 /nfs/dbraw/zinc/52/49/41/802524941.db2.gz WNNCCXSVEDQXGI-GXFFZTMASA-N -1 3 284.425 3.101 20 0 CGADHM Cc1cnc2ccccc2c1N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001118176762 802534447 /nfs/dbraw/zinc/53/44/47/802534447.db2.gz IBKFLRSEKNVGOF-BXUZGUMPSA-N -1 3 284.359 3.090 20 0 CGADHM O=C([O-])CC1(CNCc2cc(Cl)sc2Cl)CC1 ZINC001118260321 802543019 /nfs/dbraw/zinc/54/30/19/802543019.db2.gz FTXJXSDIQLJDSN-UHFFFAOYSA-N -1 3 294.203 3.399 20 0 CGADHM CCCn1ncc(C(=O)Nc2ccc(Cl)cc2[O-])c1C ZINC001120715188 802766611 /nfs/dbraw/zinc/76/66/11/802766611.db2.gz QGGFMICDUOBUHY-UHFFFAOYSA-N -1 3 293.754 3.213 20 0 CGADHM O=C(c1ccc(O)cc1[O-])N1CCC[C@@H](C2CCCC2)C1 ZINC001124043441 802991577 /nfs/dbraw/zinc/99/15/77/802991577.db2.gz FFQHJLOAYWYMRW-CYBMUJFWSA-N -1 3 289.375 3.140 20 0 CGADHM Clc1ccc(-c2ccccc2-c2nnn[n-]2)c2c[nH]nc21 ZINC001243773194 802993185 /nfs/dbraw/zinc/99/31/85/802993185.db2.gz AQAKWQMXMRUBPH-UHFFFAOYSA-N -1 3 296.721 3.063 20 0 CGADHM Clc1ccc(-c2ccccc2-c2nn[n-]n2)c2c[nH]nc21 ZINC001243773194 802993187 /nfs/dbraw/zinc/99/31/87/802993187.db2.gz AQAKWQMXMRUBPH-UHFFFAOYSA-N -1 3 296.721 3.063 20 0 CGADHM COC(=O)c1ccccc1-c1c([O-])cccc1Cl ZINC001244033810 803153318 /nfs/dbraw/zinc/15/33/18/803153318.db2.gz RHUILHZGUFJOKC-UHFFFAOYSA-N -1 3 262.692 3.499 20 0 CGADHM COc1ccc(-c2cncc(-c3nnn[n-]3)c2)cc1C(C)C ZINC001244133389 803202854 /nfs/dbraw/zinc/20/28/54/803202854.db2.gz FDKGWPNDNUGLIP-UHFFFAOYSA-N -1 3 295.346 3.061 20 0 CGADHM COc1ccc(-c2cncc(-c3nn[n-]n3)c2)cc1C(C)C ZINC001244133389 803202855 /nfs/dbraw/zinc/20/28/55/803202855.db2.gz FDKGWPNDNUGLIP-UHFFFAOYSA-N -1 3 295.346 3.061 20 0 CGADHM COc1cccc(-c2ccc(-c3nnn[n-]3)cc2)c1C1CC1 ZINC001244250489 803263492 /nfs/dbraw/zinc/26/34/92/803263492.db2.gz RJLOCLRQDFNQJI-UHFFFAOYSA-N -1 3 292.342 3.420 20 0 CGADHM COc1cccc(-c2ccc(-c3nn[n-]n3)cc2)c1C1CC1 ZINC001244250489 803263496 /nfs/dbraw/zinc/26/34/96/803263496.db2.gz RJLOCLRQDFNQJI-UHFFFAOYSA-N -1 3 292.342 3.420 20 0 CGADHM Cc1csc(C(=O)[N-]c2conc2C)c1Cl ZINC001130577346 803291339 /nfs/dbraw/zinc/29/13/39/803291339.db2.gz OUYJUDOPYFJKCD-UHFFFAOYSA-N -1 3 256.714 3.259 20 0 CGADHM CNC(=O)c1ccc(-c2ccc(Cl)cc2[O-])cc1 ZINC001244469251 803385719 /nfs/dbraw/zinc/38/57/19/803385719.db2.gz CXCCGWGGJCUYJY-UHFFFAOYSA-N -1 3 261.708 3.072 20 0 CGADHM Cc1cc(-c2nc(C)nc3c2CCCC3)cc([O-])c1F ZINC001244506023 803409962 /nfs/dbraw/zinc/40/99/62/803409962.db2.gz AKCWAQOIVDGYBA-UHFFFAOYSA-N -1 3 272.323 3.484 20 0 CGADHM Cc1cc(-c2nccc3cccnc32)cc([O-])c1F ZINC001244507713 803411597 /nfs/dbraw/zinc/41/15/97/803411597.db2.gz WYYBMPJNKUDKLD-UHFFFAOYSA-N -1 3 254.264 3.450 20 0 CGADHM Cc1cc(-c2cc(-c3ncc[nH]3)ccn2)cc([O-])c1F ZINC001244508119 803411850 /nfs/dbraw/zinc/41/18/50/803411850.db2.gz UDFLODNCZWJUBV-UHFFFAOYSA-N -1 3 269.279 3.292 20 0 CGADHM COC(=O)c1ccc(-c2cc(C)c(F)c([O-])c2)c(OC)c1 ZINC001244516161 803413421 /nfs/dbraw/zinc/41/34/21/803413421.db2.gz OSYPBXKPCSEXHY-UHFFFAOYSA-N -1 3 290.290 3.302 20 0 CGADHM Cc1cc(-c2ccc([C@@H]3CCC(=O)N3)cc2)cc([O-])c1F ZINC001244524573 803417511 /nfs/dbraw/zinc/41/75/11/803417511.db2.gz CIYZXZWNCFRGMP-AWEZNQCLSA-N -1 3 285.318 3.458 20 0 CGADHM Cc1cc(-c2ccc(=O)n(CC(C)C)c2)cc([O-])c1F ZINC001244525800 803418433 /nfs/dbraw/zinc/41/84/33/803418433.db2.gz SLQBQINHZMVIPT-UHFFFAOYSA-N -1 3 275.323 3.324 20 0 CGADHM COc1cc(-c2cc(C)c([O-])c(Cl)c2)cnc1OC ZINC001244536869 803424368 /nfs/dbraw/zinc/42/43/68/803424368.db2.gz ABRJFPPLBYUTDV-UHFFFAOYSA-N -1 3 279.723 3.433 20 0 CGADHM COC(=O)c1cc(-c2cc(C)c([O-])c(Cl)c2)cnc1F ZINC001244538883 803427154 /nfs/dbraw/zinc/42/71/54/803427154.db2.gz ZPONVYFWDNFMHF-UHFFFAOYSA-N -1 3 295.697 3.342 20 0 CGADHM COc1ncc(-c2cc(C)c([O-])c(Cl)c2)c(C)n1 ZINC001244548220 803432843 /nfs/dbraw/zinc/43/28/43/803432843.db2.gz YELZNJXPTFYMDT-UHFFFAOYSA-N -1 3 264.712 3.128 20 0 CGADHM COc1ccc(-c2cc(C)c([O-])c(Cl)c2)c(C(N)=O)c1 ZINC001244551275 803433601 /nfs/dbraw/zinc/43/36/01/803433601.db2.gz WHPMYXUWWZGPOV-UHFFFAOYSA-N -1 3 291.734 3.129 20 0 CGADHM CC(C)(C)c1nsc([N-]c2cc(N)ccc2F)n1 ZINC001211818411 814945334 /nfs/dbraw/zinc/94/53/34/814945334.db2.gz OUUIPKZBCNPHPW-UHFFFAOYSA-N -1 3 266.345 3.301 20 0 CGADHM [O-]c1ccc(Cl)cc1-c1cncc2nccnc21 ZINC001245051755 803623364 /nfs/dbraw/zinc/62/33/64/803623364.db2.gz GRZYPVKJQKABIN-UHFFFAOYSA-N -1 3 257.680 3.051 20 0 CGADHM COc1nc(OC)c(-c2cc(Cl)ccc2[O-])cc1C ZINC001245053165 803623814 /nfs/dbraw/zinc/62/38/14/803623814.db2.gz VIRSCXCNVOFMFQ-UHFFFAOYSA-N -1 3 279.723 3.433 20 0 CGADHM Cc1nc2c(ccn2C)c(-c2ccc([O-])cc2Cl)n1 ZINC001245077796 803633961 /nfs/dbraw/zinc/63/39/61/803633961.db2.gz GVXWHOOLQLIMEY-UHFFFAOYSA-N -1 3 273.723 3.303 20 0 CGADHM CCc1ncc(F)c(-c2ccc([O-])cc2Cl)n1 ZINC001245078763 803634239 /nfs/dbraw/zinc/63/42/39/803634239.db2.gz GHJOXIUPWDRPKE-UHFFFAOYSA-N -1 3 252.676 3.204 20 0 CGADHM Cc1cccc([O-])c1C(=O)NCCO[C@@H]1CCCC[C@H]1C ZINC001136266581 803638360 /nfs/dbraw/zinc/63/83/60/803638360.db2.gz VOIXGZQNIANIBQ-IUODEOHRSA-N -1 3 291.391 3.026 20 0 CGADHM Cc1c(NC(=O)c2ccc(C)cc2[O-])n[nH]c1C(F)(F)F ZINC001136445493 803644009 /nfs/dbraw/zinc/64/40/09/803644009.db2.gz ZEFJSUZLOAODPJ-UHFFFAOYSA-N -1 3 299.252 3.003 20 0 CGADHM Cc1ccc(O[C@@H](C)CNC(=O)c2c(C)cccc2[O-])cc1 ZINC001137010888 803671309 /nfs/dbraw/zinc/67/13/09/803671309.db2.gz GAVQYBXXNGEONO-AWEZNQCLSA-N -1 3 299.370 3.206 20 0 CGADHM Nc1ccc2cc(-c3cccc(-c4nnn[n-]4)c3)ccc2c1 ZINC001245368550 803716405 /nfs/dbraw/zinc/71/64/05/803716405.db2.gz HYHMQVNXTGQNOX-UHFFFAOYSA-N -1 3 287.326 3.269 20 0 CGADHM Nc1ccc2cc(-c3cccc(-c4nn[n-]n4)c3)ccc2c1 ZINC001245368550 803716409 /nfs/dbraw/zinc/71/64/09/803716409.db2.gz HYHMQVNXTGQNOX-UHFFFAOYSA-N -1 3 287.326 3.269 20 0 CGADHM O=Cc1c[nH]c2ccc(C(=O)Nc3cc(F)ccc3[O-])cc12 ZINC001138016930 803826789 /nfs/dbraw/zinc/82/67/89/803826789.db2.gz YHJZJWSQRHRZRA-UHFFFAOYSA-N -1 3 298.273 3.077 20 0 CGADHM O=C(Nc1ncccc1[O-])[C@@H]1CCC[C@@H]1c1ccccc1 ZINC001138165963 803870895 /nfs/dbraw/zinc/87/08/95/803870895.db2.gz YEKSSPCUTMTYHL-ZIAGYGMSSA-N -1 3 282.343 3.310 20 0 CGADHM CC(=O)Oc1ccc(Nc2cc([O-])c(F)cc2F)cc1 ZINC001212078293 814973532 /nfs/dbraw/zinc/97/35/32/814973532.db2.gz ZSPHYIAAUBILFJ-UHFFFAOYSA-N -1 3 279.242 3.339 20 0 CGADHM O=C1CCc2cc(-c3c([O-])cccc3F)ccc2N1 ZINC001245653108 803884474 /nfs/dbraw/zinc/88/44/74/803884474.db2.gz KPBBXQSRVJOEIC-UHFFFAOYSA-N -1 3 257.264 3.083 20 0 CGADHM C[C@@H]1C(=O)Nc2ccc(-c3c([O-])cccc3F)cc21 ZINC001245655162 803889102 /nfs/dbraw/zinc/88/91/02/803889102.db2.gz WCURANYWRUZZAM-QMMMGPOBSA-N -1 3 257.264 3.254 20 0 CGADHM CC1(C)C(=O)Nc2cc(-c3c([O-])cccc3F)ccc21 ZINC001245656564 803889843 /nfs/dbraw/zinc/88/98/43/803889843.db2.gz XFEWOLIZBYHVQQ-UHFFFAOYSA-N -1 3 271.291 3.428 20 0 CGADHM CCOC(=O)c1ncc(-c2c([O-])cccc2F)cc1C ZINC001245656305 803890916 /nfs/dbraw/zinc/89/09/16/803890916.db2.gz JZKWBRZQQPHATF-UHFFFAOYSA-N -1 3 275.279 3.078 20 0 CGADHM C[S@@](=N)(=O)c1ccc(-c2c([O-])cccc2F)cc1 ZINC001245656409 803890983 /nfs/dbraw/zinc/89/09/83/803890983.db2.gz QHQZGZGUDJHXJI-GOSISDBHSA-N -1 3 265.309 3.234 20 0 CGADHM Fc1ccc(Cl)c(F)c1-c1ccccc1-c1nnn[n-]1 ZINC001245720916 803928719 /nfs/dbraw/zinc/92/87/19/803928719.db2.gz RPKAISYNBCBVQF-UHFFFAOYSA-N -1 3 292.676 3.465 20 0 CGADHM Fc1ccc(Cl)c(F)c1-c1ccccc1-c1nn[n-]n1 ZINC001245720916 803928724 /nfs/dbraw/zinc/92/87/24/803928724.db2.gz RPKAISYNBCBVQF-UHFFFAOYSA-N -1 3 292.676 3.465 20 0 CGADHM CC(C)(C)c1nnc([N-]c2ccncc2Cl)s1 ZINC001212144189 814983493 /nfs/dbraw/zinc/98/34/93/814983493.db2.gz ILNGDPYMLMSKQP-UHFFFAOYSA-N -1 3 268.773 3.050 20 0 CGADHM [O-]c1cnccc1CN1CCC[C@@H]1c1ccc(F)cc1F ZINC001140281014 804407667 /nfs/dbraw/zinc/40/76/67/804407667.db2.gz SXHLEYSWPJCDFW-OAHLLOKOSA-N -1 3 290.313 3.403 20 0 CGADHM [O-]c1ccc(CN2CC[C@@H]3CCC[C@@H]3C2)c(F)c1F ZINC001140887576 804540549 /nfs/dbraw/zinc/54/05/49/804540549.db2.gz BKKVEZLVPHLITB-WDEREUQCSA-N -1 3 267.319 3.292 20 0 CGADHM COCC[C@H]1CCCCN1Cc1ccc([O-])c(F)c1F ZINC001140893772 804546076 /nfs/dbraw/zinc/54/60/76/804546076.db2.gz IAKLMGYMBQOPAD-GFCCVEGCSA-N -1 3 285.334 3.061 20 0 CGADHM CCc1cccc(C(=O)Nc2ccc3c(n2)CCC3)c1[O-] ZINC001140960141 804559973 /nfs/dbraw/zinc/55/99/73/804559973.db2.gz APCRNWYRPDMKOZ-UHFFFAOYSA-N -1 3 282.343 3.091 20 0 CGADHM O=C(CCc1ccc(F)c2c1CCCC2)[N-]OCC1CC1 ZINC001141399803 804638060 /nfs/dbraw/zinc/63/80/60/804638060.db2.gz XIWRWSDLJJLEPW-UHFFFAOYSA-N -1 3 291.366 3.095 20 0 CGADHM CN(Cc1ccc(Cl)cc1C(=O)[O-])C[C@@H]1CCCCO1 ZINC001142656694 804749891 /nfs/dbraw/zinc/74/98/91/804749891.db2.gz ITEXUIPYESBGMU-ZDUSSCGKSA-N -1 3 297.782 3.039 20 0 CGADHM Cc1c(C)c(NC(=O)Cc2ccc([O-])c(F)c2)ccc1O ZINC001144631773 805016533 /nfs/dbraw/zinc/01/65/33/805016533.db2.gz ZPJWJEWMMYAAHA-UHFFFAOYSA-N -1 3 289.306 3.035 20 0 CGADHM [O-]c1cc(F)c(CN2CC3CCC2CC3)cc1F ZINC001144658484 805024550 /nfs/dbraw/zinc/02/45/50/805024550.db2.gz YHPXSKKQJYHGQD-UHFFFAOYSA-N -1 3 253.292 3.045 20 0 CGADHM [O-]c1cc(F)c(CN2CC[C@H](c3ccccn3)C2)cc1F ZINC001144666730 805029622 /nfs/dbraw/zinc/02/96/22/805029622.db2.gz NOBWXISHYHEACK-NSHDSACASA-N -1 3 290.313 3.055 20 0 CGADHM CC(C)c1ccc(C(=O)N[C@H](C)COCC2CC2)c([O-])c1 ZINC001144965721 805061882 /nfs/dbraw/zinc/06/18/82/805061882.db2.gz LXTCTJDHUKOLDE-GFCCVEGCSA-N -1 3 291.391 3.061 20 0 CGADHM COc1cc2ccccc2cc1Nc1cnc[n-]c1=O ZINC001249549691 805174789 /nfs/dbraw/zinc/17/47/89/805174789.db2.gz LKABCHRSWFTMOX-UHFFFAOYSA-N -1 3 267.288 3.088 20 0 CGADHM Cc1ccc(C(=O)NCC(C)(C)c2cccc(C)n2)c([O-])c1 ZINC001148507456 805191397 /nfs/dbraw/zinc/19/13/97/805191397.db2.gz OIIRHBQMKPBFTL-UHFFFAOYSA-N -1 3 298.386 3.112 20 0 CGADHM CC(=O)c1cc(C(=O)NC[C@H]2CCCC[C@@H]2C)ccc1[O-] ZINC001148664649 805204651 /nfs/dbraw/zinc/20/46/51/805204651.db2.gz QZEYSLDHCWIHSC-SMDDNHRTSA-N -1 3 289.375 3.151 20 0 CGADHM Cc1c(C(=O)Nc2ncccc2[O-])cccc1C(F)(F)F ZINC001148739182 805208925 /nfs/dbraw/zinc/20/89/25/805208925.db2.gz PMLUWAMEHRSKAD-UHFFFAOYSA-N -1 3 296.248 3.367 20 0 CGADHM CCOc1cc(Nc2ncc(F)cc2[O-])ccc1OC ZINC001212540583 815057217 /nfs/dbraw/zinc/05/72/17/815057217.db2.gz KIQFVBUYBQOWEF-UHFFFAOYSA-N -1 3 278.283 3.077 20 0 CGADHM O=C(Nc1cc([O-])cc(Cl)c1)c1ccc2c(c1)OCO2 ZINC001149166169 805222179 /nfs/dbraw/zinc/22/21/79/805222179.db2.gz DLQGWGSWVFNUHW-UHFFFAOYSA-N -1 3 291.690 3.027 20 0 CGADHM O=C(Nc1cc([O-])cc(Cl)c1)c1ccc2ocnc2c1 ZINC001149386042 805232329 /nfs/dbraw/zinc/23/23/29/805232329.db2.gz VARCKFAESABSSO-UHFFFAOYSA-N -1 3 288.690 3.439 20 0 CGADHM O=C([N-]c1cccc2nsnc21)c1ncc(Cl)s1 ZINC001149587519 805239162 /nfs/dbraw/zinc/23/91/62/805239162.db2.gz GWXNLNLWCOYHNR-UHFFFAOYSA-N -1 3 296.764 3.054 20 0 CGADHM O=C(Nc1ccc(F)c([O-])c1)c1cncc2ccccc21 ZINC001150920544 805273869 /nfs/dbraw/zinc/27/38/69/805273869.db2.gz JRFYIWWZRVOQGJ-UHFFFAOYSA-N -1 3 282.274 3.332 20 0 CGADHM COc1cc(F)c(C(=O)Nc2cccc([O-])c2F)c(F)c1 ZINC001151093347 805281898 /nfs/dbraw/zinc/28/18/98/805281898.db2.gz SPWHCNWBQMPYSQ-UHFFFAOYSA-N -1 3 297.232 3.070 20 0 CGADHM COc1cc(Nc2cccc([O-])c2F)ccc1C(C)=O ZINC001212552443 815064927 /nfs/dbraw/zinc/06/49/27/815064927.db2.gz RQUOUBNJDZPZHU-UHFFFAOYSA-N -1 3 275.279 3.486 20 0 CGADHM c1ccc(CCCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001249973537 805335631 /nfs/dbraw/zinc/33/56/31/805335631.db2.gz GMRDGYOGHHCYBN-UHFFFAOYSA-N -1 3 264.332 3.042 20 0 CGADHM c1ccc(CCCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001249973537 805335640 /nfs/dbraw/zinc/33/56/40/805335640.db2.gz GMRDGYOGHHCYBN-UHFFFAOYSA-N -1 3 264.332 3.042 20 0 CGADHM [O-]c1ccc(-c2nc(-c3cccc4occc43)no2)nc1 ZINC001212558190 815068163 /nfs/dbraw/zinc/06/81/63/815068163.db2.gz WBBYUBZZUKTHKC-UHFFFAOYSA-N -1 3 279.255 3.250 20 0 CGADHM CC(C)(C)c1ccnc(-c2noc(-c3ccc([O-])cn3)n2)c1 ZINC001212558852 815068911 /nfs/dbraw/zinc/06/89/11/815068911.db2.gz IQXYBGOXXGBNRP-UHFFFAOYSA-N -1 3 296.330 3.197 20 0 CGADHM COc1c(Cl)ccc(F)c1[N-]c1noc2nccnc12 ZINC001250099733 805416563 /nfs/dbraw/zinc/41/65/63/805416563.db2.gz SOKAMFWFWHKPEG-UHFFFAOYSA-N -1 3 294.673 3.163 20 0 CGADHM CSc1ccc(F)c(Nc2ccc(C(N)=O)c([O-])c2)c1 ZINC001250125649 805429728 /nfs/dbraw/zinc/42/97/28/805429728.db2.gz NFHFRJUYJALBLN-UHFFFAOYSA-N -1 3 292.335 3.096 20 0 CGADHM [O-]c1ccc(F)c(C[C@H]2COc3ccccc3O2)c1F ZINC001250173277 805459765 /nfs/dbraw/zinc/45/97/65/805459765.db2.gz FUGOIWQRTHBSSK-VIFPVBQESA-N -1 3 278.254 3.053 20 0 CGADHM O=C(Cc1cc([O-])cc(F)c1)c1ccc(F)cc1F ZINC001250249066 805519663 /nfs/dbraw/zinc/51/96/63/805519663.db2.gz MDHCTCVOUJUGFQ-UHFFFAOYSA-N -1 3 266.218 3.235 20 0 CGADHM COc1cc(Cc2ccc(F)c([O-])c2)cc(OC)c1 ZINC001250297660 805550589 /nfs/dbraw/zinc/55/05/89/805550589.db2.gz LJVJTNBKUCRAGN-UHFFFAOYSA-N -1 3 262.280 3.139 20 0 CGADHM O=C(CCSc1ccccc1)[N-]Oc1ccc(F)cc1 ZINC001165790990 807019933 /nfs/dbraw/zinc/01/99/33/807019933.db2.gz IRRFKFOIRQKOMP-UHFFFAOYSA-N -1 3 291.347 3.418 20 0 CGADHM COC(=O)c1cc([N-]c2nnc(C(C)(C)C)o2)ccc1C ZINC001212623633 815087545 /nfs/dbraw/zinc/08/75/45/815087545.db2.gz RHWOXZIUBQTONC-UHFFFAOYSA-N -1 3 289.335 3.206 20 0 CGADHM CSc1c(F)cc(Nc2cnc(C)[n-]c2=O)cc1F ZINC001215924733 815632084 /nfs/dbraw/zinc/63/20/84/815632084.db2.gz NSMAHPWQXCVHDH-UHFFFAOYSA-N -1 3 283.303 3.234 20 0 CGADHM CCc1cccc(-c2noc(-c3cncc([O-])c3)n2)c1 ZINC001212708285 815109156 /nfs/dbraw/zinc/10/91/56/815109156.db2.gz CMMJBRLPAVRMPW-UHFFFAOYSA-N -1 3 267.288 3.067 20 0 CGADHM COc1cc([O-])c(-c2nnc(CCC(C)C)o2)cc1OC ZINC001258357630 807426450 /nfs/dbraw/zinc/42/64/50/807426450.db2.gz XFGOAIXAUNVWGL-UHFFFAOYSA-N -1 3 292.335 3.048 20 0 CGADHM Cc1ccc(C(F)(F)F)c([N-]S(=O)(=O)CC(C)C)c1 ZINC001259886718 807691629 /nfs/dbraw/zinc/69/16/29/807691629.db2.gz RUKGGLSVMLIUFT-UHFFFAOYSA-N -1 3 295.326 3.412 20 0 CGADHM Cc1ccc(Nc2cccc(=O)[nH]2)c(Cl)c1[O-] ZINC001212792366 815140329 /nfs/dbraw/zinc/14/03/29/815140329.db2.gz PDIIBPXNWIJVEV-UHFFFAOYSA-N -1 3 250.685 3.198 20 0 CGADHM CC(C)Oc1ccc(NCc2ncccc2[O-])cc1 ZINC001169732098 807699999 /nfs/dbraw/zinc/69/99/99/807699999.db2.gz GMTXVABSGJAAFP-UHFFFAOYSA-N -1 3 258.321 3.187 20 0 CGADHM COc1cc(Cl)cc(C)c1NCc1ncccc1[O-] ZINC001169730770 807700413 /nfs/dbraw/zinc/70/04/13/807700413.db2.gz HXOGAHDJGUYELO-UHFFFAOYSA-N -1 3 278.739 3.370 20 0 CGADHM [O-]c1cccnc1CNc1ccc2[nH]ccc2c1F ZINC001169732538 807700904 /nfs/dbraw/zinc/70/09/04/807700904.db2.gz KWLMOTFXQZGKGV-UHFFFAOYSA-N -1 3 257.268 3.020 20 0 CGADHM Cc1c[nH]c2cccc(NCc3ncccc3[O-])c12 ZINC001169732825 807701697 /nfs/dbraw/zinc/70/16/97/807701697.db2.gz MXSVLFWFZZAWKM-UHFFFAOYSA-N -1 3 253.305 3.189 20 0 CGADHM CC[C@H](C)S(=O)(=O)[N-]c1cc2ccccc2cc1O ZINC001260738772 807701920 /nfs/dbraw/zinc/70/19/20/807701920.db2.gz QNSDXQWCSBWXHW-JTQLQIEISA-N -1 3 279.361 3.086 20 0 CGADHM Cc1cccc(S(=O)(=O)[N-]c2cccnc2Cl)c1C ZINC001260992121 807708683 /nfs/dbraw/zinc/70/86/83/807708683.db2.gz ZYNRAGLNXAKALV-UHFFFAOYSA-N -1 3 296.779 3.153 20 0 CGADHM CC(C)c1nnc([N-]C(=O)c2cnoc2C(C)C)s1 ZINC001263710747 807995243 /nfs/dbraw/zinc/99/52/43/807995243.db2.gz GYLYMFXNMCNBGW-UHFFFAOYSA-N -1 3 280.353 3.025 20 0 CGADHM COc1ccc(Nc2cc(F)c([O-])c(F)c2)cc1 ZINC001173806287 808679898 /nfs/dbraw/zinc/67/98/98/808679898.db2.gz UYVDXSZUSAAXQQ-UHFFFAOYSA-N -1 3 251.232 3.423 20 0 CGADHM [O-]c1cc(Nc2cc(F)nc(F)c2)c(F)cc1F ZINC001213081727 815227330 /nfs/dbraw/zinc/22/73/30/815227330.db2.gz GUFAIGQTOXLTSD-UHFFFAOYSA-N -1 3 258.174 3.087 20 0 CGADHM COc1ccc(Nc2c(F)cc([O-])cc2F)cc1 ZINC001173806786 808680959 /nfs/dbraw/zinc/68/09/59/808680959.db2.gz OWVLEHQOMCTXQD-UHFFFAOYSA-N -1 3 251.232 3.423 20 0 CGADHM [O-]c1ccc(Cl)c(Nc2ccncc2)c1Cl ZINC001173883323 808737880 /nfs/dbraw/zinc/73/78/80/808737880.db2.gz MVHFXXAJLMVVLS-UHFFFAOYSA-N -1 3 255.104 3.260 20 0 CGADHM CC(=O)c1cccc(Nc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC001173899630 808751652 /nfs/dbraw/zinc/75/16/52/808751652.db2.gz LNIRHELARFMETO-UHFFFAOYSA-N -1 3 269.304 3.006 20 0 CGADHM O=c1cc(Nc2cccc(F)c2F)nc(C2CC2)[n-]1 ZINC001173945019 808776474 /nfs/dbraw/zinc/77/64/74/808776474.db2.gz FSDQLYVJWHNCHR-UHFFFAOYSA-N -1 3 263.247 3.081 20 0 CGADHM CN(C)C(=O)c1ccc(Nc2ccc([O-])c(Cl)c2)cc1 ZINC001174007448 808817552 /nfs/dbraw/zinc/81/75/52/808817552.db2.gz FPNYRNUYYWMZDX-UHFFFAOYSA-N -1 3 290.750 3.491 20 0 CGADHM COc1ncc(Nc2cc(Cl)c([O-])cc2Cl)cn1 ZINC001174035778 808833424 /nfs/dbraw/zinc/83/34/24/808833424.db2.gz NSHGEQOTYXFMKK-UHFFFAOYSA-N -1 3 286.118 3.241 20 0 CGADHM COc1ncccc1Nc1cccc([O-])c1Br ZINC001174043177 808841421 /nfs/dbraw/zinc/84/14/21/808841421.db2.gz KBKGGNUJBOZDKT-UHFFFAOYSA-N -1 3 295.136 3.302 20 0 CGADHM [O-]c1cc(Cl)cnc1Nc1ccc2c(c1)NCC2 ZINC001213147814 815244203 /nfs/dbraw/zinc/24/42/03/815244203.db2.gz LVWMJGCJBVGPGY-UHFFFAOYSA-N -1 3 261.712 3.152 20 0 CGADHM [O-]c1c(F)cc(Nc2ccc3n[nH]cc3c2)cc1F ZINC001174272199 808918562 /nfs/dbraw/zinc/91/85/62/808918562.db2.gz GYYSWSBMMKWNAN-UHFFFAOYSA-N -1 3 261.231 3.290 20 0 CGADHM [O-]c1c(F)cc(Nc2ccc3c(c2)NCC3)cc1F ZINC001213155396 815246967 /nfs/dbraw/zinc/24/69/67/815246967.db2.gz UPSBYIFOXHDLLG-UHFFFAOYSA-N -1 3 262.259 3.382 20 0 CGADHM [O-]c1cc(F)cc(F)c1Nc1cccc2[nH]ncc21 ZINC001174343969 808964236 /nfs/dbraw/zinc/96/42/36/808964236.db2.gz HTECBRALPMZUSI-UHFFFAOYSA-N -1 3 261.231 3.290 20 0 CGADHM O=c1cc(Nc2ccc3ncsc3c2)nc(C2CC2)[n-]1 ZINC001174364547 808977480 /nfs/dbraw/zinc/97/74/80/808977480.db2.gz ZIDPSWVGERWNCU-UHFFFAOYSA-N -1 3 284.344 3.413 20 0 CGADHM [O-]c1cccc2sc(Nc3cnn(CC4CC4)c3)nc21 ZINC001174466253 809024727 /nfs/dbraw/zinc/02/47/27/809024727.db2.gz BYZKHDYVTWPKJB-UHFFFAOYSA-N -1 3 286.360 3.352 20 0 CGADHM Cc1n[nH]cc1Nc1cc(Cl)c([O-])cc1Cl ZINC001174473558 809029696 /nfs/dbraw/zinc/02/96/96/809029696.db2.gz DNNMVWRCCMFWOS-UHFFFAOYSA-N -1 3 258.108 3.474 20 0 CGADHM COc1ccc(C(F)(F)F)cc1Nc1cc(=O)[n-]c(C)n1 ZINC001174774498 809161485 /nfs/dbraw/zinc/16/14/85/809161485.db2.gz CPTVIKUDMBLEPO-UHFFFAOYSA-N -1 3 299.252 3.262 20 0 CGADHM Cc1cc(C[C@@H](C)Nc2cc(F)c([O-])c(F)c2)on1 ZINC001213370587 815270789 /nfs/dbraw/zinc/27/07/89/815270789.db2.gz IXXDCMRZTKFVJV-SSDOTTSWSA-N -1 3 268.263 3.010 20 0 CGADHM Cc1nc(Nc2cc(F)c([O-])c(F)c2)sc1C ZINC001213370386 815270965 /nfs/dbraw/zinc/27/09/65/815270965.db2.gz GEFNGKRVTZHPPB-UHFFFAOYSA-N -1 3 256.277 3.487 20 0 CGADHM Cc1ncc(Nc2cc(F)c([O-])c(F)c2)c(Cl)n1 ZINC001213373471 815271775 /nfs/dbraw/zinc/27/17/75/815271775.db2.gz GLAXAUXMOLMKPS-UHFFFAOYSA-N -1 3 271.654 3.166 20 0 CGADHM [O-]c1c(F)cc(Nc2cc(F)nc(F)c2F)cc1F ZINC001213375059 815271944 /nfs/dbraw/zinc/27/19/44/815271944.db2.gz NOJNZIUBLNGDCG-UHFFFAOYSA-N -1 3 276.164 3.226 20 0 CGADHM [O-]c1c(F)cc(Nc2cncc(OC(F)F)c2)cc1F ZINC001213377235 815272835 /nfs/dbraw/zinc/27/28/35/815272835.db2.gz DLLSOOVIDWKRKP-UHFFFAOYSA-N -1 3 288.200 3.410 20 0 CGADHM [O-]c1c(F)cc(Nc2cncnc2C(F)(F)F)cc1F ZINC001213377712 815272907 /nfs/dbraw/zinc/27/29/07/815272907.db2.gz YNZLABMQPRHVDO-UHFFFAOYSA-N -1 3 291.179 3.223 20 0 CGADHM COc1cc(N)ccc1Nc1cc(F)c([O-])c(F)c1 ZINC001213384380 815274245 /nfs/dbraw/zinc/27/42/45/815274245.db2.gz JOSQNRUXBQKTRW-UHFFFAOYSA-N -1 3 266.247 3.005 20 0 CGADHM O=C1CCc2c(Nc3cc(F)c([O-])c(F)c3)cccc2N1 ZINC001213388890 815275612 /nfs/dbraw/zinc/27/56/12/815275612.db2.gz RHYXEKKMMGKQBM-UHFFFAOYSA-N -1 3 290.269 3.299 20 0 CGADHM COC(=O)Cc1ccccc1Nc1c(F)cc([O-])cc1F ZINC001175099853 809270736 /nfs/dbraw/zinc/27/07/36/809270736.db2.gz CVHNCEOCPXLLLA-UHFFFAOYSA-N -1 3 293.269 3.130 20 0 CGADHM [O-]c1cc(F)c(Nc2cccc(C3=NCCO3)c2)c(F)c1 ZINC001175102066 809273027 /nfs/dbraw/zinc/27/30/27/809273027.db2.gz DATXQDAYMVKGNT-UHFFFAOYSA-N -1 3 290.269 3.191 20 0 CGADHM CN(C)Cc1ccccc1Nc1ccc(F)c(C(=O)[O-])c1 ZINC001175223529 809315017 /nfs/dbraw/zinc/31/50/17/809315017.db2.gz SFTQHBZQVYBGHH-UHFFFAOYSA-N -1 3 288.322 3.329 20 0 CGADHM [O-]c1ccc(F)c(Nc2ccc(F)cc2O)c1F ZINC001175264762 809329167 /nfs/dbraw/zinc/32/91/67/809329167.db2.gz GJKGPBHGALIJRN-UHFFFAOYSA-N -1 3 255.195 3.259 20 0 CGADHM Nc1cc(F)c(F)cc1Nc1c(F)ccc([O-])c1F ZINC001175264774 809329225 /nfs/dbraw/zinc/32/92/25/809329225.db2.gz GRMPNDHBERGNFB-UHFFFAOYSA-N -1 3 272.201 3.274 20 0 CGADHM COCCOc1ccc(Nc2c(F)ccc([O-])c2F)cc1 ZINC001175264812 809329899 /nfs/dbraw/zinc/32/98/99/809329899.db2.gz IAWCRTSMQBKGOY-UHFFFAOYSA-N -1 3 295.285 3.439 20 0 CGADHM COc1ncc(Nc2c(F)ccc([O-])c2F)cc1Cl ZINC001175262900 809329995 /nfs/dbraw/zinc/32/99/95/809329995.db2.gz BSNYNFTXQDOREW-UHFFFAOYSA-N -1 3 286.665 3.471 20 0 CGADHM CCc1cc2ncc(Nc3c(F)ccc([O-])c3F)cn2n1 ZINC001175266713 809330747 /nfs/dbraw/zinc/33/07/47/809330747.db2.gz XWTGQPLEVRNOHF-UHFFFAOYSA-N -1 3 290.273 3.019 20 0 CGADHM CN(C)c1ccccc1Nc1c(F)ccc([O-])c1F ZINC001175265902 809331217 /nfs/dbraw/zinc/33/12/17/809331217.db2.gz QWVAJLHOVRUMRV-UHFFFAOYSA-N -1 3 264.275 3.480 20 0 CGADHM CCN(C)c1ccc(Nc2c(F)ccc([O-])c2F)cn1 ZINC001175265530 809331588 /nfs/dbraw/zinc/33/15/88/809331588.db2.gz FRMIKNYPZARUFH-UHFFFAOYSA-N -1 3 279.290 3.265 20 0 CGADHM CN(C)c1cccc(Nc2c(F)ccc([O-])c2F)c1 ZINC001175267765 809332364 /nfs/dbraw/zinc/33/23/64/809332364.db2.gz FSTCAJAZDCCTFD-UHFFFAOYSA-N -1 3 264.275 3.480 20 0 CGADHM Cn1cnc2cc(Nc3c(F)ccc([O-])c3F)ccc21 ZINC001175267881 809332987 /nfs/dbraw/zinc/33/29/87/809332987.db2.gz BKZDVIIHBBGTIC-UHFFFAOYSA-N -1 3 275.258 3.301 20 0 CGADHM COc1cc(N)ccc1Nc1c(F)ccc([O-])c1F ZINC001175268563 809333533 /nfs/dbraw/zinc/33/35/33/809333533.db2.gz UJKFYMRBOQPRHJ-UHFFFAOYSA-N -1 3 266.247 3.005 20 0 CGADHM Cc1cc(F)cc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001175429589 809401535 /nfs/dbraw/zinc/40/15/35/809401535.db2.gz KXJAVSAAHIQFBR-UHFFFAOYSA-N -1 3 269.283 3.058 20 0 CGADHM c1cnc2c(c1)cccc2Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175429724 809401564 /nfs/dbraw/zinc/40/15/64/809401564.db2.gz ZDSNVHDPWUIKHT-UHFFFAOYSA-N -1 3 288.314 3.159 20 0 CGADHM CCOc1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001175430040 809401601 /nfs/dbraw/zinc/40/16/01/809401601.db2.gz BNXKVYWZPACPBR-UHFFFAOYSA-N -1 3 281.319 3.009 20 0 CGADHM C[S@@](=O)c1ccc(Nc2cc(F)c([O-])c(F)c2)cc1 ZINC001175476593 809421794 /nfs/dbraw/zinc/42/17/94/809421794.db2.gz PAYRPJQHOWBQLL-LJQANCHMSA-N -1 3 283.299 3.151 20 0 CGADHM Cn1ccc2c1cccc2NC(=O)Cc1ccc([O-])c(F)c1 ZINC001292612555 809435069 /nfs/dbraw/zinc/43/50/69/809435069.db2.gz SSURXTSLYKFWRT-UHFFFAOYSA-N -1 3 298.317 3.204 20 0 CGADHM Cc1ccc2[nH]ncc2c1Nc1ccnc(Cl)c1[O-] ZINC001175523316 809441309 /nfs/dbraw/zinc/44/13/09/809441309.db2.gz GQXOXIURTHKKDS-UHFFFAOYSA-N -1 3 274.711 3.369 20 0 CGADHM Cc1nnc([N-]c2cccc(C(=O)OC(C)(C)C)c2)o1 ZINC001175545422 809446612 /nfs/dbraw/zinc/44/66/12/809446612.db2.gz JWNZAQWGPWSTIO-UHFFFAOYSA-N -1 3 275.308 3.077 20 0 CGADHM Cn1cc2ccc(Nc3cc([O-])c(F)cc3F)cc2n1 ZINC001175614857 809474310 /nfs/dbraw/zinc/47/43/10/809474310.db2.gz ATERNFOMWMHNFZ-UHFFFAOYSA-N -1 3 275.258 3.301 20 0 CGADHM CCCC[C@H](NC(=O)c1ccccc1[O-])C1CCC1 ZINC001295061093 809480096 /nfs/dbraw/zinc/48/00/96/809480096.db2.gz SBGRKKUTQZOXFO-AWEZNQCLSA-N -1 3 261.365 3.481 20 0 CGADHM CCC[C@H]1CCC[C@@H]1C(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC001298307360 809530992 /nfs/dbraw/zinc/53/09/92/809530992.db2.gz ZLMFMABLTSQUGX-JQWIXIFHSA-N -1 3 287.363 3.423 20 0 CGADHM COc1nscc1[N-]C(=O)c1cc(Cl)cs1 ZINC001303231387 809606375 /nfs/dbraw/zinc/60/63/75/809606375.db2.gz ORBBCTHPQRUJPM-UHFFFAOYSA-N -1 3 274.754 3.119 20 0 CGADHM C[C@@H]1CC[C@@H](CC(=O)[N-]Oc2ccccc2F)C1 ZINC001303332711 809608444 /nfs/dbraw/zinc/60/84/44/809608444.db2.gz KOKJQMNEQXCFSY-GHMZBOCLSA-N -1 3 251.301 3.062 20 0 CGADHM O=C(CCc1ccc(F)cc1F)[N-]Oc1ccccc1F ZINC001303333221 809608630 /nfs/dbraw/zinc/60/86/30/809608630.db2.gz XQWCZCGZPUQEIK-UHFFFAOYSA-N -1 3 295.260 3.147 20 0 CGADHM COc1ccc(Nc2cc(=O)n(-c3ccccc3)[n-]2)cc1O ZINC001176252523 809655454 /nfs/dbraw/zinc/65/54/54/809655454.db2.gz CUKKMRMONVXXFM-UHFFFAOYSA-N -1 3 297.314 3.036 20 0 CGADHM NC(=O)c1ccc(Nc2ccc3cc(O)ccc3c2)cc1[O-] ZINC001176388786 809684339 /nfs/dbraw/zinc/68/43/39/809684339.db2.gz DHBVUPFDNPTWFM-UHFFFAOYSA-N -1 3 294.310 3.094 20 0 CGADHM Cc1nc(Nc2cccc(OC(F)(F)F)c2)cc(=O)[n-]1 ZINC001176535809 809711756 /nfs/dbraw/zinc/71/17/56/809711756.db2.gz PHKSZHBKEWPHGS-UHFFFAOYSA-N -1 3 285.225 3.133 20 0 CGADHM CC(C)c1ccc(C(=O)NOc2ccccc2F)c([O-])c1 ZINC001177109831 809781620 /nfs/dbraw/zinc/78/16/20/809781620.db2.gz RXXWDXKFLDPXMS-UHFFFAOYSA-N -1 3 289.306 3.379 20 0 CGADHM Cc1ccc([O-])c(-c2nc(-c3ccccc3Cl)no2)n1 ZINC001213698254 815323459 /nfs/dbraw/zinc/32/34/59/815323459.db2.gz RZEWHDKYLLGXHV-UHFFFAOYSA-N -1 3 287.706 3.466 20 0 CGADHM Cc1cc2cc(Nc3cc(=O)[n-]c(=S)[nH]3)ccc2[nH]1 ZINC001213787347 815332302 /nfs/dbraw/zinc/33/23/02/815332302.db2.gz WKVLDQKJMCAQNZ-UHFFFAOYSA-N -1 3 272.333 3.004 20 0 CGADHM Cc1cn(CCC(=O)Nc2cncc([O-])c2)c2ccccc12 ZINC001181207643 810042545 /nfs/dbraw/zinc/04/25/45/810042545.db2.gz PZTODRNLIKGAJB-UHFFFAOYSA-N -1 3 295.342 3.079 20 0 CGADHM O=C(Cc1cccc2[nH]ccc21)Nc1ccc(F)c([O-])c1 ZINC001181722770 810067842 /nfs/dbraw/zinc/06/78/42/810067842.db2.gz YGZVANKDIRANDW-UHFFFAOYSA-N -1 3 284.290 3.194 20 0 CGADHM CC(C)CO[N-]C(=O)CCc1ccc(F)c2c1CCCC2 ZINC001183058823 810136098 /nfs/dbraw/zinc/13/60/98/810136098.db2.gz VPIYDNBYDFMOSU-UHFFFAOYSA-N -1 3 293.382 3.341 20 0 CGADHM CCOC(=O)c1ccc(-c2nc(-c3cccc(C)c3)no2)[n-]1 ZINC001213977307 815354614 /nfs/dbraw/zinc/35/46/14/815354614.db2.gz WACKMFIODOPUDV-UHFFFAOYSA-N -1 3 297.314 3.217 20 0 CGADHM Cc1ccc([N-]S(=O)(=O)c2ccsc2)c(F)c1F ZINC001185390286 810260747 /nfs/dbraw/zinc/26/07/47/810260747.db2.gz BXPICKHKTKSERQ-UHFFFAOYSA-N -1 3 289.328 3.136 20 0 CGADHM CC[C@@H](C)CCC(=O)Nc1cc(F)c([O-])cc1C(=O)OC ZINC001185572524 810277787 /nfs/dbraw/zinc/27/77/87/810277787.db2.gz VMMOXCRUOCAYDG-SECBINFHSA-N -1 3 297.326 3.083 20 0 CGADHM Cc1cc(C(=O)[N-]c2nnc(C(C)(C)C)o2)c(F)cc1F ZINC001186348538 810330838 /nfs/dbraw/zinc/33/08/38/810330838.db2.gz RKEUULALXDOIEV-UHFFFAOYSA-N -1 3 295.289 3.206 20 0 CGADHM CC/C=C/NC(=O)c1ccc([O-])cc1C(F)(F)F ZINC001193758096 810947983 /nfs/dbraw/zinc/94/79/83/810947983.db2.gz LPXZBFRAIVFGJU-ZZXKWVIFSA-N -1 3 259.227 3.065 20 0 CGADHM CCCCCCOC(=O)[N-]C1=NCC(=O)C=C1C ZINC001194157668 811023525 /nfs/dbraw/zinc/02/35/25/811023525.db2.gz LRSLOZOSTCIIAQ-UHFFFAOYSA-N -1 3 252.314 3.224 20 0 CGADHM COc1ccncc1Nc1cc(F)c([O-])c(Cl)c1 ZINC001214482547 815416243 /nfs/dbraw/zinc/41/62/43/815416243.db2.gz AROCROUYGXPGRI-UHFFFAOYSA-N -1 3 268.675 3.332 20 0 CGADHM CCC(CC)COC(=O)Nc1nc(C)ccc1[O-] ZINC001194683935 811106271 /nfs/dbraw/zinc/10/62/71/811106271.db2.gz LMXSQTUNZBQRMO-UHFFFAOYSA-N -1 3 252.314 3.080 20 0 CGADHM Cc1ccc(O)c(Nc2c(Cl)ccc([O-])c2F)n1 ZINC001214554092 815423100 /nfs/dbraw/zinc/42/31/00/815423100.db2.gz LFQFIKJEQJHQFL-UHFFFAOYSA-N -1 3 268.675 3.337 20 0 CGADHM O=c1[nH]cccc1Nc1c(Cl)ccc([O-])c1F ZINC001214554606 815423751 /nfs/dbraw/zinc/42/37/51/815423751.db2.gz VUXMQYOTBDHRTP-UHFFFAOYSA-N -1 3 254.648 3.029 20 0 CGADHM CSc1cc(Nc2c(Cl)ccc([O-])c2F)n(C)n1 ZINC001214558200 815424244 /nfs/dbraw/zinc/42/42/44/815424244.db2.gz RYASZRWNBJQPTH-UHFFFAOYSA-N -1 3 287.747 3.384 20 0 CGADHM Cc1coc(C(=O)[N-]c2cc(F)c(Cl)nc2Cl)n1 ZINC001195751144 811286629 /nfs/dbraw/zinc/28/66/29/811286629.db2.gz BEGKUOGWBZBJEE-UHFFFAOYSA-N -1 3 290.081 3.076 20 0 CGADHM COc1cc(C)c(C(=O)Nc2cc([O-])cc(Cl)c2)cn1 ZINC001199707504 811589611 /nfs/dbraw/zinc/58/96/11/811589611.db2.gz GCTAKOTWWOUXKI-UHFFFAOYSA-N -1 3 292.722 3.010 20 0 CGADHM CC[C@@H](C)CNC(=S)Nc1nc2c(cccc2[O-])s1 ZINC001200240475 811649356 /nfs/dbraw/zinc/64/93/56/811649356.db2.gz GTGFLXHZCGDAOE-MRVPVSSYSA-N -1 3 295.433 3.334 20 0 CGADHM Cc1cccc(C)c1NC(=O)Nc1cc(=O)[n-]c(C2CC2)n1 ZINC001202195937 812037186 /nfs/dbraw/zinc/03/71/86/812037186.db2.gz DVQOTPRUDTXRLP-UHFFFAOYSA-N -1 3 298.346 3.320 20 0 CGADHM Brc1ccc2c(c1)onc2[N-]c1cnoc1 ZINC001203231060 812274533 /nfs/dbraw/zinc/27/45/33/812274533.db2.gz CYWHQVGYCSZQLQ-UHFFFAOYSA-N -1 3 280.081 3.322 20 0 CGADHM [O-]c1cc(F)c(Nc2ncccc2OC(F)F)cc1F ZINC001215571802 815537045 /nfs/dbraw/zinc/53/70/45/815537045.db2.gz HKENBYFSCYGACU-UHFFFAOYSA-N -1 3 288.200 3.410 20 0 CGADHM [O-]c1cc(Cl)c(Nc2cnc3ccnn3c2)cc1Cl ZINC001204808667 812742913 /nfs/dbraw/zinc/74/29/13/812742913.db2.gz VXJYUHXTVSSFJZ-UHFFFAOYSA-N -1 3 295.129 3.485 20 0 CGADHM [O-]c1cc(Nc2ccc(F)c(CO)c2F)c(F)cc1F ZINC001215651880 815553567 /nfs/dbraw/zinc/55/35/67/815553567.db2.gz NLGAQADFAYOBFJ-UHFFFAOYSA-N -1 3 287.212 3.185 20 0 CGADHM [O-]c1cc(Nc2ccn3ccnc3c2)c(F)cc1F ZINC001204978214 812807863 /nfs/dbraw/zinc/80/78/63/812807863.db2.gz QAFCBTGQHACLRO-UHFFFAOYSA-N -1 3 261.231 3.062 20 0 CGADHM CCCNc1nc(-c2ccc([O-])cc2F)ncc1C ZINC001206021025 813167605 /nfs/dbraw/zinc/16/76/05/813167605.db2.gz CHIVMWRPJPQCIQ-UHFFFAOYSA-N -1 3 261.300 3.119 20 0 CGADHM [O-]c1ccc(-c2ccc3ncc(F)cc3n2)c(F)c1 ZINC001206037733 813175225 /nfs/dbraw/zinc/17/52/25/813175225.db2.gz NEFAQRFSFOVKEX-UHFFFAOYSA-N -1 3 258.227 3.281 20 0 CGADHM CC1CCN(c2ccc(-c3ccc([O-])cc3F)nn2)CC1 ZINC001206044067 813179935 /nfs/dbraw/zinc/17/99/35/813179935.db2.gz CNALGKGDFMEGFJ-UHFFFAOYSA-N -1 3 287.338 3.225 20 0 CGADHM [O-]c1ccc(F)c(CNCc2cccc3[nH]ccc32)c1F ZINC001207269933 813528471 /nfs/dbraw/zinc/52/84/71/813528471.db2.gz GWGYSIAOBPMIFN-UHFFFAOYSA-N -1 3 288.297 3.442 20 0 CGADHM COc1c(F)ccc(Nc2cc(=O)[n-]c(C)n2)c1Cl ZINC001209801876 814147195 /nfs/dbraw/zinc/14/71/95/814147195.db2.gz WDQQXOQXDALWMN-UHFFFAOYSA-N -1 3 283.690 3.035 20 0 CGADHM C=Cc1ccccc1Nc1cc(=O)[n-]c(C2CC2)n1 ZINC001209944746 814208242 /nfs/dbraw/zinc/20/82/42/814208242.db2.gz OGMVEGDBQGWAPV-UHFFFAOYSA-N -1 3 253.305 3.446 20 0 CGADHM [O-]c1cc(Cl)cnc1Nc1ccc2c(c1)OCCCO2 ZINC001209999902 814237217 /nfs/dbraw/zinc/23/72/17/814237217.db2.gz UMPBDWCTPXQARP-UHFFFAOYSA-N -1 3 292.722 3.346 20 0 CGADHM Nc1cc2nn(-c3cccc(F)c3[O-])cc2cc1Cl ZINC001210204694 814340140 /nfs/dbraw/zinc/34/01/40/814340140.db2.gz TUCIYRPSMQEEIU-UHFFFAOYSA-N -1 3 277.686 3.106 20 0 CGADHM CCOC(=O)c1ccncc1Nc1cccc(Cl)c1[O-] ZINC001210216094 814345245 /nfs/dbraw/zinc/34/52/45/814345245.db2.gz QIRCAHOCWQJYGO-UHFFFAOYSA-N -1 3 292.722 3.361 20 0 CGADHM NC(=O)c1cccc(Nc2cccc(Cl)c2[O-])c1F ZINC001210222675 814350153 /nfs/dbraw/zinc/35/01/53/814350153.db2.gz SSIREOGFEFBLRC-UHFFFAOYSA-N -1 3 280.686 3.027 20 0 CGADHM Cc1ccc(Nc2cc([O-])c(F)cc2F)cc1CO ZINC001210249506 814365075 /nfs/dbraw/zinc/36/50/75/814365075.db2.gz MZLJPKYOXBKJFU-UHFFFAOYSA-N -1 3 265.259 3.215 20 0 CGADHM CC(C)n1ccc(Nc2cc(F)c([O-])cc2F)n1 ZINC001210343822 814412285 /nfs/dbraw/zinc/41/22/85/814412285.db2.gz KTKUFJCUEBBYMT-UHFFFAOYSA-N -1 3 253.252 3.191 20 0 CGADHM COC(=O)c1cc(Cl)sc1[N-]c1cnoc1C ZINC001210578000 814538474 /nfs/dbraw/zinc/53/84/74/814538474.db2.gz KQWUHHHLWFECDD-UHFFFAOYSA-N -1 3 272.713 3.228 20 0 CGADHM [O-]c1cc(Nc2ccnc(OC3CC3)c2)c(F)cc1F ZINC001210749341 814610389 /nfs/dbraw/zinc/61/03/89/814610389.db2.gz YEKZZFOOSNHGDQ-UHFFFAOYSA-N -1 3 278.258 3.350 20 0 CGADHM Fc1cc(-c2ccc(=S)[n-]n2)cc(F)c1Cl ZINC001242797132 823135446 /nfs/dbraw/zinc/13/54/46/823135446.db2.gz CMMLNROFVDKODQ-UHFFFAOYSA-N -1 3 258.680 3.364 20 0 CGADHM [O-]c1cccc(Nc2cnc(Cl)cn2)c1Cl ZINC001210844229 814649112 /nfs/dbraw/zinc/64/91/12/814649112.db2.gz ANBIIPTWSRYDHC-UHFFFAOYSA-N -1 3 256.092 3.233 20 0 CGADHM CCOC(=O)c1ncccc1Nc1cccc([O-])c1Cl ZINC001210851820 814650660 /nfs/dbraw/zinc/65/06/60/814650660.db2.gz MDUBTPSKUSYPAK-UHFFFAOYSA-N -1 3 292.722 3.361 20 0 CGADHM Cc1cc(C(N)=O)c(Nc2cccc([O-])c2Cl)s1 ZINC001210851877 814650821 /nfs/dbraw/zinc/65/08/21/814650821.db2.gz PJWPTYUTHSBSQC-UHFFFAOYSA-N -1 3 282.752 3.258 20 0 CGADHM [O-]c1cc(F)cnc1Nc1cccc(O)c1Cl ZINC001210853682 814651024 /nfs/dbraw/zinc/65/10/24/814651024.db2.gz DKFODKHHEVSPPP-UHFFFAOYSA-N -1 3 254.648 3.029 20 0 CGADHM [O-]c1cccc(Nc2ncc(F)cc2O)c1Cl ZINC001210853682 814651027 /nfs/dbraw/zinc/65/10/27/814651027.db2.gz DKFODKHHEVSPPP-UHFFFAOYSA-N -1 3 254.648 3.029 20 0 CGADHM O=C1OCc2c1cccc2Nc1cccc([O-])c1Cl ZINC001210854633 814652484 /nfs/dbraw/zinc/65/24/84/814652484.db2.gz IUSIVTUAPHAAIM-UHFFFAOYSA-N -1 3 275.691 3.460 20 0 CGADHM CNC(=O)Cc1ccc(Nc2cccc([O-])c2Cl)cc1 ZINC001210854491 814652530 /nfs/dbraw/zinc/65/25/30/814652530.db2.gz ZYLZFLXSUANXSN-UHFFFAOYSA-N -1 3 290.750 3.078 20 0 CGADHM Nc1cnc(N(c2cccc([O-])c2Cl)C2CCC2)nc1 ZINC001210855470 814652628 /nfs/dbraw/zinc/65/26/28/814652628.db2.gz PABRLLMSNROSHM-UHFFFAOYSA-N -1 3 290.754 3.108 20 0 CGADHM FC(F)Oc1ccc([N-]c2nnco2)cc1OC1CCC1 ZINC001210874752 814659825 /nfs/dbraw/zinc/65/98/25/814659825.db2.gz CCYVFOMRTAVZPL-UHFFFAOYSA-N -1 3 297.261 3.346 20 0 CGADHM Cc1ncc(Nc2cncc(-c3ccccc3)c2)c(=O)[n-]1 ZINC001211021593 814708816 /nfs/dbraw/zinc/70/88/16/814708816.db2.gz FVPWTGPKNUTMKZ-UHFFFAOYSA-N -1 3 278.315 3.296 20 0 CGADHM COc1ncc(Nc2ncc(Cl)cc2[O-])cc1Cl ZINC001211043712 814718538 /nfs/dbraw/zinc/71/85/38/814718538.db2.gz KYMRIIJAJXMXOG-UHFFFAOYSA-N -1 3 286.118 3.241 20 0 CGADHM Cc1c(CO)cccc1Nc1ccc([O-])c(F)c1F ZINC001211165776 814839176 /nfs/dbraw/zinc/83/91/76/814839176.db2.gz GXRAYKJPQKKMHY-UHFFFAOYSA-N -1 3 265.259 3.215 20 0 CGADHM Nc1ccnc2cc(-c3cc(F)c([O-])cc3F)ccc12 ZINC001211359118 814885570 /nfs/dbraw/zinc/88/55/70/814885570.db2.gz BGFOBUZJOOKKBF-UHFFFAOYSA-N -1 3 272.254 3.468 20 0 CGADHM CC(C)(C)c1nsc([N-]c2cccc(CO)c2F)n1 ZINC001211426273 814889805 /nfs/dbraw/zinc/88/98/05/814889805.db2.gz BUHPZNUQDNGIQA-UHFFFAOYSA-N -1 3 281.356 3.211 20 0 CGADHM O=c1[n-]cncc1Nc1ccnc(Oc2ccccc2)c1 ZINC001215774307 815586704 /nfs/dbraw/zinc/58/67/04/815586704.db2.gz IHTNPZOXSANIKQ-UHFFFAOYSA-N -1 3 280.287 3.113 20 0 CGADHM COCOc1ccc(Nc2cc(F)c([O-])c(F)c2)cc1 ZINC001211639448 814923426 /nfs/dbraw/zinc/92/34/26/814923426.db2.gz KOFWEIABBANCDG-UHFFFAOYSA-N -1 3 281.258 3.397 20 0 CGADHM Cc1nonc1[N-]c1cnc(F)c(-c2ccccc2)c1 ZINC001215958615 815642079 /nfs/dbraw/zinc/64/20/79/815642079.db2.gz HHKVVEHGDBSGAQ-UHFFFAOYSA-N -1 3 270.267 3.323 20 0 CGADHM COc1ccc(Nc2cc(=O)[n-]c(=S)[nH]2)cc1C(C)C ZINC001216000525 815656686 /nfs/dbraw/zinc/65/66/86/815656686.db2.gz OHQHMYKKLCHFRB-UHFFFAOYSA-N -1 3 291.376 3.347 20 0 CGADHM Nc1c(F)c(F)c(F)cc1Nc1c(F)cc([O-])cc1F ZINC001216011415 815660794 /nfs/dbraw/zinc/66/07/94/815660794.db2.gz FDKYRVLGRBSCOY-UHFFFAOYSA-N -1 3 290.191 3.414 20 0 CGADHM CCc1cc(Nc2ncc(Cl)cc2[O-])ccc1N ZINC001216036129 815666226 /nfs/dbraw/zinc/66/62/26/815666226.db2.gz NVZDCCVYKYISSU-UHFFFAOYSA-N -1 3 263.728 3.329 20 0 CGADHM CCc1cc(Nc2cc([O-])c(F)cc2F)ccc1CO ZINC001216108086 815699103 /nfs/dbraw/zinc/69/91/03/815699103.db2.gz QSDOVKUWLRFHAE-UHFFFAOYSA-N -1 3 279.286 3.469 20 0 CGADHM CN(C)Cc1cccc(Nc2ccnc(Cl)c2[O-])c1F ZINC001216228382 815746914 /nfs/dbraw/zinc/74/69/14/815746914.db2.gz DGLVWUODYMPOIS-UHFFFAOYSA-N -1 3 295.745 3.385 20 0 CGADHM COc1cc(Nc2cc(=O)[n-]c(C)n2)ccc1OC(C)C ZINC001216245647 815754457 /nfs/dbraw/zinc/75/44/57/815754457.db2.gz WMDDCPSPXGCFMZ-UHFFFAOYSA-N -1 3 289.335 3.030 20 0 CGADHM CCOc1cc(C)c(C)cc1Nc1cnc(C)[n-]c1=O ZINC001216375622 815803849 /nfs/dbraw/zinc/80/38/49/815803849.db2.gz AVCFTLFVFVNUKZ-UHFFFAOYSA-N -1 3 273.336 3.250 20 0 CGADHM [O-]c1cc(Cl)cnc1Nc1cc(Cl)cc(CO)c1 ZINC001216434920 815829219 /nfs/dbraw/zinc/82/92/19/815829219.db2.gz QGWDKMTVUZDLSC-UHFFFAOYSA-N -1 3 285.130 3.330 20 0 CGADHM Cc1cccc([O-])c1-c1nc(-c2ccc3c(c2)OCO3)no1 ZINC001216537163 815853777 /nfs/dbraw/zinc/85/37/77/815853777.db2.gz VEBQWULTKWDZPH-UHFFFAOYSA-N -1 3 296.282 3.146 20 0 CGADHM CCn1ncc2cc(Nc3cc(=O)[n-]c(C4CC4)n3)ccc21 ZINC001216588187 815866164 /nfs/dbraw/zinc/86/61/64/815866164.db2.gz DHJDTVVDZSYDLQ-UHFFFAOYSA-N -1 3 295.346 3.173 20 0 CGADHM COc1ccc(-c2nc(-c3ccccc3)no2)c([O-])c1OC ZINC001216765879 815895816 /nfs/dbraw/zinc/89/58/16/815895816.db2.gz ZDSYBIVSBCMEAY-UHFFFAOYSA-N -1 3 298.298 3.126 20 0 CGADHM S=C1Cc2ccc(-c3cnn4ccccc34)cc2[N-]1 ZINC001242967285 823192986 /nfs/dbraw/zinc/19/29/86/823192986.db2.gz LINMAPKEDYEDNX-UHFFFAOYSA-N -1 3 265.341 3.297 20 0 CGADHM [O-]c1cc(-c2ccnc(-c3nccs3)n2)ccc1F ZINC001243049026 823225713 /nfs/dbraw/zinc/22/57/13/823225713.db2.gz KJAUCDFJEJJXNK-UHFFFAOYSA-N -1 3 273.292 3.112 20 0 CGADHM [O-]c1cc(-c2cncc(-c3ncco3)c2)ccc1F ZINC001243051581 823228219 /nfs/dbraw/zinc/22/82/19/823228219.db2.gz ROIPPYVDTQBOFF-UHFFFAOYSA-N -1 3 256.236 3.248 20 0 CGADHM COC(=O)c1cccc(-c2ccc(F)c([O-])c2)c1F ZINC001243049600 823226610 /nfs/dbraw/zinc/22/66/10/823226610.db2.gz RRFILHBXXRBKEY-UHFFFAOYSA-N -1 3 264.227 3.124 20 0 CGADHM C[C@@H]1C(=O)Nc2cc(-c3ccc(F)c([O-])c3)ccc21 ZINC001243050814 823227375 /nfs/dbraw/zinc/22/73/75/823227375.db2.gz YSROVPRFQTXDPK-QMMMGPOBSA-N -1 3 257.264 3.254 20 0 CGADHM O=C1Nc2ccc(-c3ccc(F)c([O-])c3)cc2C12CC2 ZINC001243052545 823229319 /nfs/dbraw/zinc/22/93/19/823229319.db2.gz ZGSOUIHFZDDRTA-UHFFFAOYSA-N -1 3 269.275 3.182 20 0 CGADHM COc1cc(-c2ccc(F)c([O-])c2)ccc1NC(C)=O ZINC001243052489 823229526 /nfs/dbraw/zinc/22/95/26/823229526.db2.gz XOICOADRGAHHPK-UHFFFAOYSA-N -1 3 275.279 3.165 20 0 CGADHM COC(=O)c1c(C)cc(-c2ccc(F)c([O-])c2)cc1F ZINC001243063889 823232968 /nfs/dbraw/zinc/23/29/68/823232968.db2.gz XFYYXMKYXRAAHZ-UHFFFAOYSA-N -1 3 278.254 3.432 20 0 CGADHM C[C@@H]1CCC[C@@H](C)C1Oc1ccc2c([O-])coc2c1 ZINC001225340049 817016527 /nfs/dbraw/zinc/01/65/27/817016527.db2.gz AUZILBQJHQLFJM-GHMZBOCLSA-N -1 3 260.333 3.465 20 0 CGADHM C[C@H](COc1ccc2c([O-])coc2c1)OCc1ccccc1 ZINC001225342332 817017683 /nfs/dbraw/zinc/01/76/83/817017683.db2.gz HVSCOQLUCXEVRI-CYBMUJFWSA-N -1 3 298.338 3.246 20 0 CGADHM CC[C@@H](C)[C@H](C)Oc1nc(=O)[n-]cc1C(F)(F)F ZINC001225580355 817099460 /nfs/dbraw/zinc/09/94/60/817099460.db2.gz ZCSPNLNEPPDVLQ-RQJHMYQMSA-N -1 3 264.247 3.014 20 0 CGADHM COc1cccc([C@@H](C)Oc2[n-]c(=S)ncc2C)c1 ZINC001225743625 817163718 /nfs/dbraw/zinc/16/37/18/817163718.db2.gz YNEAJNCCBMELDH-SNVBAGLBSA-N -1 3 276.361 3.222 20 0 CGADHM Cc1c(=O)[n-]cnc1O[C@@H]1CCc2ccc(Cl)cc21 ZINC001226076029 817265593 /nfs/dbraw/zinc/26/55/93/817265593.db2.gz KTUFGDVDTAFCSD-GFCCVEGCSA-N -1 3 276.723 3.210 20 0 CGADHM CSc1cccc(F)c1-c1ccc(=S)[n-]n1 ZINC001243113058 823251125 /nfs/dbraw/zinc/25/11/25/823251125.db2.gz ADENYTAELTYYTA-UHFFFAOYSA-N -1 3 252.339 3.293 20 0 CGADHM CC[C@H](C)[C@@H](C)Oc1c([O-])ccc(C(C)=O)c1O ZINC001226481565 817371687 /nfs/dbraw/zinc/37/16/87/817371687.db2.gz GXXVGCGDMGKTCL-WCBMZHEXSA-N -1 3 252.310 3.114 20 0 CGADHM CC(=O)c1ccc([O-])c(O[C@H]2CCc3ccccc3C2)c1O ZINC001226482298 817372305 /nfs/dbraw/zinc/37/23/05/817372305.db2.gz MIAZRPSVBYAITB-AWEZNQCLSA-N -1 3 298.338 3.237 20 0 CGADHM Cc1ccc([C@H](Oc2cc(=O)[n-]c(C)n2)C(F)(F)F)cc1 ZINC001226510814 817380438 /nfs/dbraw/zinc/38/04/38/817380438.db2.gz QUFJUCYNWBKCEB-ZDUSSCGKSA-N -1 3 298.264 3.481 20 0 CGADHM Cc1cc(=O)oc2cc([O-])c(O[C@@H]3CCCC[C@@H]3F)cc12 ZINC001226531334 817387721 /nfs/dbraw/zinc/38/77/21/817387721.db2.gz ADLRMZQUQXFHDY-WCQYABFASA-N -1 3 292.306 3.467 20 0 CGADHM O=c1nc2nc(Cl)ccc2c(O[C@H]2CCCC[C@H]2F)[n-]1 ZINC001226555687 817397025 /nfs/dbraw/zinc/39/70/25/817397025.db2.gz FNMZHDDTUJYMDA-BDAKNGLRSA-N -1 3 297.717 3.043 20 0 CGADHM COc1cnc(=O)[n-]c1O[C@H](C)c1ccc2ccccc2c1 ZINC001226823077 817475692 /nfs/dbraw/zinc/47/56/92/817475692.db2.gz PZDPBAMVBXAMCJ-LLVKDONJSA-N -1 3 296.326 3.484 20 0 CGADHM CC(C)[C@H]1CC[C@H](C)C[C@H]1Oc1ccc(=O)[n-]n1 ZINC001227096125 817556179 /nfs/dbraw/zinc/55/61/79/817556179.db2.gz XWQOSFLOEVUQGR-QJPTWQEYSA-N -1 3 250.342 3.022 20 0 CGADHM Cc1ccc(C)c2c1CCC[C@H]2Oc1ccc(=O)[n-]n1 ZINC001227093773 817556260 /nfs/dbraw/zinc/55/62/60/817556260.db2.gz RSDFWGWCXAHXMW-CYBMUJFWSA-N -1 3 270.332 3.255 20 0 CGADHM C[C@@H](Oc1ccc(=O)[n-]n1)c1ccc2ccccc2c1 ZINC001227095187 817556661 /nfs/dbraw/zinc/55/66/61/817556661.db2.gz OKOOXNFTSJKNMH-LLVKDONJSA-N -1 3 266.300 3.475 20 0 CGADHM [O-]c1cc(Br)cc(F)c1OC1CC=CC1 ZINC001227587486 817677517 /nfs/dbraw/zinc/67/75/17/817677517.db2.gz JDWBYYKVUICAFZ-UHFFFAOYSA-N -1 3 273.101 3.391 20 0 CGADHM C[C@@H](Oc1ncc(Cl)cc1[O-])c1ccncc1F ZINC001227984014 817774052 /nfs/dbraw/zinc/77/40/52/817774052.db2.gz YXYXDQGRGOFAPL-SSDOTTSWSA-N -1 3 268.675 3.115 20 0 CGADHM Cc1cc(=O)oc2c1ccc([O-])c2O[C@@H]1CC[C@@H](C)C1 ZINC001228621533 817956221 /nfs/dbraw/zinc/95/62/21/817956221.db2.gz BSXYRGIEBCIUNN-MWLCHTKSSA-N -1 3 274.316 3.374 20 0 CGADHM Cc1cc(=O)oc2c1ccc([O-])c2O[C@@H]1C=CCCC1 ZINC001228623345 817956803 /nfs/dbraw/zinc/95/68/03/817956803.db2.gz RPIKXYOABIWGRN-LLVKDONJSA-N -1 3 272.300 3.295 20 0 CGADHM C[C@H]1C[C@H](Oc2nnc(-c3cccnc3)[n-]2)CC(C)(C)C1 ZINC001228694786 817975095 /nfs/dbraw/zinc/97/50/95/817975095.db2.gz FVVWJNUUHCIHRQ-AAEUAGOBSA-N -1 3 286.379 3.460 20 0 CGADHM C[C@H]1C[C@H](Oc2nc(-c3cccnc3)n[n-]2)CC(C)(C)C1 ZINC001228694786 817975099 /nfs/dbraw/zinc/97/50/99/817975099.db2.gz FVVWJNUUHCIHRQ-AAEUAGOBSA-N -1 3 286.379 3.460 20 0 CGADHM C[C@H]1C[C@H](Oc2n[n-]c(-c3cccnc3)n2)CC(C)(C)C1 ZINC001228694786 817975103 /nfs/dbraw/zinc/97/51/03/817975103.db2.gz FVVWJNUUHCIHRQ-AAEUAGOBSA-N -1 3 286.379 3.460 20 0 CGADHM Cc1ccc2c(c1)CC[C@@H]2Oc1nnc(-c2cccnc2)[n-]1 ZINC001228696317 817975478 /nfs/dbraw/zinc/97/54/78/817975478.db2.gz UPEGBHSQEWXEHU-HNNXBMFYSA-N -1 3 292.342 3.241 20 0 CGADHM Cc1ccc2c(c1)CC[C@@H]2Oc1nc(-c2cccnc2)n[n-]1 ZINC001228696317 817975482 /nfs/dbraw/zinc/97/54/82/817975482.db2.gz UPEGBHSQEWXEHU-HNNXBMFYSA-N -1 3 292.342 3.241 20 0 CGADHM Cc1ccc2c(c1)CC[C@@H]2Oc1n[n-]c(-c2cccnc2)n1 ZINC001228696317 817975489 /nfs/dbraw/zinc/97/54/89/817975489.db2.gz UPEGBHSQEWXEHU-HNNXBMFYSA-N -1 3 292.342 3.241 20 0 CGADHM C[C@H](Oc1nnc(-c2cccnc2)[n-]1)c1ccc(F)cc1 ZINC001228696472 817977973 /nfs/dbraw/zinc/97/79/73/817977973.db2.gz XVOSUVRXXUWAHX-JTQLQIEISA-N -1 3 284.294 3.146 20 0 CGADHM C[C@H](Oc1nc(-c2cccnc2)n[n-]1)c1ccc(F)cc1 ZINC001228696472 817977979 /nfs/dbraw/zinc/97/79/79/817977979.db2.gz XVOSUVRXXUWAHX-JTQLQIEISA-N -1 3 284.294 3.146 20 0 CGADHM C[C@H](Oc1n[n-]c(-c2cccnc2)n1)c1ccc(F)cc1 ZINC001228696472 817977986 /nfs/dbraw/zinc/97/79/86/817977986.db2.gz XVOSUVRXXUWAHX-JTQLQIEISA-N -1 3 284.294 3.146 20 0 CGADHM CCC[C@@H](Oc1n[n-]c(-c2ccncc2)n1)[C@H](C)CC ZINC001228698671 817979246 /nfs/dbraw/zinc/97/92/46/817979246.db2.gz ZUKVHWSPIGSGIA-DGCLKSJQSA-N -1 3 274.368 3.460 20 0 CGADHM c1ccc([C@H](Oc2cccc(-c3nnn[n-]3)c2)C2CC2)cc1 ZINC001231117036 818034731 /nfs/dbraw/zinc/03/47/31/818034731.db2.gz WCLWDCRORANZMD-INIZCTEOSA-N -1 3 292.342 3.397 20 0 CGADHM c1ccc([C@H](Oc2cccc(-c3nn[n-]n3)c2)C2CC2)cc1 ZINC001231117036 818034739 /nfs/dbraw/zinc/03/47/39/818034739.db2.gz WCLWDCRORANZMD-INIZCTEOSA-N -1 3 292.342 3.397 20 0 CGADHM Cc1ccccc1[C@@H](C)Oc1cccc(-c2nnn[n-]2)c1 ZINC001231118540 818035856 /nfs/dbraw/zinc/03/58/56/818035856.db2.gz QWZZLXHIHCWHGC-GFCCVEGCSA-N -1 3 280.331 3.315 20 0 CGADHM Cc1ccccc1[C@@H](C)Oc1cccc(-c2nn[n-]n2)c1 ZINC001231118540 818035858 /nfs/dbraw/zinc/03/58/58/818035858.db2.gz QWZZLXHIHCWHGC-GFCCVEGCSA-N -1 3 280.331 3.315 20 0 CGADHM CC[C@H](C)C[C@H](CC)Oc1cccc(-c2nnn[n-]2)c1 ZINC001231119041 818036479 /nfs/dbraw/zinc/03/64/79/818036479.db2.gz YDMOOLXYZRZRPX-AAEUAGOBSA-N -1 3 274.368 3.460 20 0 CGADHM CC[C@H](C)C[C@H](CC)Oc1cccc(-c2nn[n-]n2)c1 ZINC001231119041 818036484 /nfs/dbraw/zinc/03/64/84/818036484.db2.gz YDMOOLXYZRZRPX-AAEUAGOBSA-N -1 3 274.368 3.460 20 0 CGADHM Cc1ccc([O-])c(CN2CCCC[C@H]2C(F)(F)F)n1 ZINC001231672011 818156774 /nfs/dbraw/zinc/15/67/74/818156774.db2.gz DRAPKOPBFQGYEW-LBPRGKRZSA-N -1 3 274.286 3.012 20 0 CGADHM [O-]c1cc(CN2CC3(C2)CCCC3)ccc1Cl ZINC001231730928 818161140 /nfs/dbraw/zinc/16/11/40/818161140.db2.gz HRJRWUZIXFCJFG-UHFFFAOYSA-N -1 3 251.757 3.422 20 0 CGADHM CCCO[C@@H]1CCN(Cc2ccc(Cl)c([O-])c2)C1 ZINC001231735546 818163519 /nfs/dbraw/zinc/16/35/19/818163519.db2.gz SJHTWTNLDDCFBR-GFCCVEGCSA-N -1 3 269.772 3.047 20 0 CGADHM Nc1ccc(F)c(-c2ccc3c(c2)[N-]C(=S)C3)c1 ZINC001243287750 823329666 /nfs/dbraw/zinc/32/96/66/823329666.db2.gz PUWBSGNSNVVHFR-UHFFFAOYSA-N -1 3 258.321 3.370 20 0 CGADHM C[C@@H]1C[C@@H](C)CCN1Cc1ccc(F)c([O-])c1F ZINC001232934925 818477696 /nfs/dbraw/zinc/47/76/96/818477696.db2.gz LGIBOZZEQKPTPT-VHSXEESVSA-N -1 3 255.308 3.291 20 0 CGADHM COCC[C@@H]1CCCCN1Cc1cc([O-])c(F)c(F)c1 ZINC001232971522 818487294 /nfs/dbraw/zinc/48/72/94/818487294.db2.gz LRSUDBTYLJXGSB-LBPRGKRZSA-N -1 3 285.334 3.061 20 0 CGADHM C[C@@H]1C[C@H](C)CN(Cc2cc([O-])c(F)c(F)c2)C1 ZINC001232973268 818487397 /nfs/dbraw/zinc/48/73/97/818487397.db2.gz RIGJRVYVNIGBSL-AOOOYVTPSA-N -1 3 255.308 3.148 20 0 CGADHM [O-]c1cc(CN2CC[C@H]3CCC[C@H]3C2)cc(F)c1F ZINC001232971057 818487605 /nfs/dbraw/zinc/48/76/05/818487605.db2.gz SKHVLBOKKGXQLW-NEPJUHHUSA-N -1 3 267.319 3.292 20 0 CGADHM C[C@@H]1CCCCCN1Cc1cc([O-])c(F)c(F)c1 ZINC001232971324 818488169 /nfs/dbraw/zinc/48/81/69/818488169.db2.gz ITJOQDVSXZEPOF-SNVBAGLBSA-N -1 3 255.308 3.435 20 0 CGADHM [O-]c1cccc(CN2CCC[C@@H](F)C(F)(F)C2)c1F ZINC001233049937 818509677 /nfs/dbraw/zinc/50/96/77/818509677.db2.gz JGCUIRJEOAJFKU-LLVKDONJSA-N -1 3 277.261 3.101 20 0 CGADHM CN(Cc1ccsc1)Cc1cccc([O-])c1F ZINC001233053977 818513133 /nfs/dbraw/zinc/51/31/33/818513133.db2.gz XEEPUFXIZVKTTI-UHFFFAOYSA-N -1 3 251.326 3.225 20 0 CGADHM Cc1ncccc1CN(C)Cc1ccc([S-])cc1 ZINC001233262645 818559609 /nfs/dbraw/zinc/55/96/09/818559609.db2.gz PAPWRGVNAHQOEB-UHFFFAOYSA-N -1 3 258.390 3.311 20 0 CGADHM CN(Cc1ccc([S-])cc1)Cc1cccc2c1OCO2 ZINC001233262944 818559709 /nfs/dbraw/zinc/55/97/09/818559709.db2.gz AZSKHKDPYOKFMV-UHFFFAOYSA-N -1 3 287.384 3.336 20 0 CGADHM COc1ccc(CN2CC3(CCC3)C2)c(Cl)c1[O-] ZINC001233398602 818610669 /nfs/dbraw/zinc/61/06/69/818610669.db2.gz RJEQGTWKGKVDSY-UHFFFAOYSA-N -1 3 267.756 3.040 20 0 CGADHM Cc1cc([O-])c(Cl)cc1OC[C@@H]1CCCCO1 ZINC001233592974 818652217 /nfs/dbraw/zinc/65/22/17/818652217.db2.gz SCTIQQAIMOFZBI-JTQLQIEISA-N -1 3 256.729 3.302 20 0 CGADHM C[C@H](Oc1ccc2occ([O-])c2c1)c1cccs1 ZINC001233677892 818677463 /nfs/dbraw/zinc/67/74/63/818677463.db2.gz PMJCNGXHJFNYND-VIFPVBQESA-N -1 3 260.314 3.463 20 0 CGADHM C[C@@H](Oc1ccc2occ([O-])c2c1)c1cnc2ccccn21 ZINC001233677525 818677648 /nfs/dbraw/zinc/67/76/48/818677648.db2.gz QZUDEZPUNQTIAM-LLVKDONJSA-N -1 3 294.310 3.049 20 0 CGADHM COc1ccccc1OC[C@@H](C)Oc1cccc([O-])c1F ZINC001233872626 818722399 /nfs/dbraw/zinc/72/23/99/818722399.db2.gz VWVXIPAUQNMOGF-LLVKDONJSA-N -1 3 292.306 3.386 20 0 CGADHM CCC[C@H](C)[C@H](CC)Oc1cccc([O-])c1C(N)=O ZINC001234153532 818793114 /nfs/dbraw/zinc/79/31/14/818793114.db2.gz OPHNPTOZKKGYJD-JQWIXIFHSA-N -1 3 265.353 3.085 20 0 CGADHM C[C@@H](Oc1nc[n-]c(=O)c1-c1ccccc1)c1nccs1 ZINC001234690511 818916086 /nfs/dbraw/zinc/91/60/86/818916086.db2.gz CDWNWJVNAYYGNJ-SNVBAGLBSA-N -1 3 299.355 3.446 20 0 CGADHM O=c1[n-]cnc(O[C@H]2C[C@H]3C=C[C@@H]2C3)c1-c1ccccc1 ZINC001234692015 818917323 /nfs/dbraw/zinc/91/73/23/818917323.db2.gz LQZLWLRNTOPTEK-YUTCNCBUSA-N -1 3 280.327 3.193 20 0 CGADHM COc1cc([O-])c(C)c(O[C@@H]2C[C@H]3C[C@H]3C2)c1C(C)=O ZINC001234790264 818924396 /nfs/dbraw/zinc/92/43/96/818924396.db2.gz FZBQLOQBEKHLIG-ZSBIGDGJSA-N -1 3 276.332 3.089 20 0 CGADHM COc1ccc([C@H](C)Oc2nc3ccsc3[n-]2)cn1 ZINC001234847766 818932295 /nfs/dbraw/zinc/93/22/95/818932295.db2.gz LJUBMMAXXGVMLE-QMMMGPOBSA-N -1 3 275.333 3.168 20 0 CGADHM COc1ccc([C@H](C)Oc2nc3sccc3[n-]2)cn1 ZINC001234847766 818932297 /nfs/dbraw/zinc/93/22/97/818932297.db2.gz LJUBMMAXXGVMLE-QMMMGPOBSA-N -1 3 275.333 3.168 20 0 CGADHM COC(=O)c1cc(C)cc(-c2cc([O-])cc(Cl)c2)n1 ZINC001235900544 819210450 /nfs/dbraw/zinc/21/04/50/819210450.db2.gz VWTDGKYGDGYRJH-UHFFFAOYSA-N -1 3 277.707 3.203 20 0 CGADHM COCc1cc(-c2cc([O-])cc(Cl)c2)nc(SC)n1 ZINC001235901095 819210779 /nfs/dbraw/zinc/21/07/79/819210779.db2.gz RBAKXXCUVKDDCB-UHFFFAOYSA-N -1 3 296.779 3.371 20 0 CGADHM COC(=O)[C@@H](C)c1ccc(-c2cc([O-])cc(Cl)c2)nc1 ZINC001235903696 819213680 /nfs/dbraw/zinc/21/36/80/819213680.db2.gz GGYWQNNBGURRPE-VIFPVBQESA-N -1 3 291.734 3.384 20 0 CGADHM O=c1cnc(-c2cc([O-])cc(Cl)c2)cn1-c1ccccc1 ZINC001235905285 819214046 /nfs/dbraw/zinc/21/40/46/819214046.db2.gz VTABCDDHIUNORX-UHFFFAOYSA-N -1 3 298.729 3.259 20 0 CGADHM Cc1cc(-c2ccc3c(c2)[N-]C(=S)C3)cnc1F ZINC001243397373 823390862 /nfs/dbraw/zinc/39/08/62/823390862.db2.gz ASRZZQDZVPNZRI-UHFFFAOYSA-N -1 3 258.321 3.492 20 0 CGADHM CN1CCc2ccc(-c3c(F)cc(F)c([O-])c3F)cc2C1 ZINC001236000223 819268091 /nfs/dbraw/zinc/26/80/91/819268091.db2.gz GDOABIXMVRUFRV-UHFFFAOYSA-N -1 3 293.288 3.464 20 0 CGADHM COC(=O)c1nc2nc(-c3ccc(Cl)cc3)ccc2[n-]1 ZINC001236096078 819315026 /nfs/dbraw/zinc/31/50/26/819315026.db2.gz WOAVRRBLVVNSBN-UHFFFAOYSA-N -1 3 287.706 3.017 20 0 CGADHM COC(=O)c1nc2ccc(-c3ccc(Cl)cc3)nc2[n-]1 ZINC001236096078 819315034 /nfs/dbraw/zinc/31/50/34/819315034.db2.gz WOAVRRBLVVNSBN-UHFFFAOYSA-N -1 3 287.706 3.017 20 0 CGADHM COC(=O)c1nc2ccc(-c3ccc(Cl)cc3)[n-]c-2n1 ZINC001236096078 819315038 /nfs/dbraw/zinc/31/50/38/819315038.db2.gz WOAVRRBLVVNSBN-UHFFFAOYSA-N -1 3 287.706 3.017 20 0 CGADHM CC(C)Oc1cc(F)ccc1-c1ccc(=S)[n-]n1 ZINC001243436019 823405456 /nfs/dbraw/zinc/40/54/56/823405456.db2.gz DEEQQNYAROGEJY-UHFFFAOYSA-N -1 3 264.325 3.359 20 0 CGADHM Cc1ccc(F)c(-c2cncc3cccnc32)c1[O-] ZINC001236405646 819454668 /nfs/dbraw/zinc/45/46/68/819454668.db2.gz ZJJCZGSGMVXTFU-UHFFFAOYSA-N -1 3 254.264 3.450 20 0 CGADHM COc1nc(C(C)C)ccc1-c1ccc(-c2nnn[n-]2)cc1 ZINC001236444973 819482199 /nfs/dbraw/zinc/48/21/99/819482199.db2.gz SOCSIDKVZMGURO-UHFFFAOYSA-N -1 3 295.346 3.061 20 0 CGADHM COc1nc(C(C)C)ccc1-c1ccc(-c2nn[n-]n2)cc1 ZINC001236444973 819482203 /nfs/dbraw/zinc/48/22/03/819482203.db2.gz SOCSIDKVZMGURO-UHFFFAOYSA-N -1 3 295.346 3.061 20 0 CGADHM CC(C)Nc1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC001236488036 819500354 /nfs/dbraw/zinc/50/03/54/819500354.db2.gz FZAGASPSEGUARL-UHFFFAOYSA-N -1 3 279.347 3.354 20 0 CGADHM CC(C)Nc1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC001236488036 819500360 /nfs/dbraw/zinc/50/03/60/819500360.db2.gz FZAGASPSEGUARL-UHFFFAOYSA-N -1 3 279.347 3.354 20 0 CGADHM COc1ccc2c(c1)CCN(Cc1cc([O-])cc(F)c1)C2 ZINC001237282053 819718254 /nfs/dbraw/zinc/71/82/54/819718254.db2.gz CQTBSMNDSWEQPG-UHFFFAOYSA-N -1 3 287.334 3.098 20 0 CGADHM Cc1cccc2ncnc(-c3cccc([O-])c3F)c12 ZINC001243541842 823435920 /nfs/dbraw/zinc/43/59/20/823435920.db2.gz JPLDUAPMKPFUOS-UHFFFAOYSA-N -1 3 254.264 3.450 20 0 CGADHM [O-]c1c(F)cc(CN2CCC3(CCOC3)CC2)cc1Cl ZINC001237982939 819902824 /nfs/dbraw/zinc/90/28/24/819902824.db2.gz ALJCPTYUVDASOR-UHFFFAOYSA-N -1 3 299.773 3.187 20 0 CGADHM [O-]c1cccc(-c2nnc3c(c2C(F)(F)F)CCC3)c1F ZINC001243544873 823437292 /nfs/dbraw/zinc/43/72/92/823437292.db2.gz XHWMYDYJJWBZCO-UHFFFAOYSA-N -1 3 298.239 3.496 20 0 CGADHM COC(=O)c1cc2ccc(-c3cccc([O-])c3F)cc2[nH]1 ZINC001243544610 823437309 /nfs/dbraw/zinc/43/73/09/823437309.db2.gz IIVYXCUATIKOSP-UHFFFAOYSA-N -1 3 285.274 3.466 20 0 CGADHM [O-]c1cccc(-c2cnc(OCC3CCC3)cn2)c1F ZINC001243545946 823437816 /nfs/dbraw/zinc/43/78/16/823437816.db2.gz RUKAIDIAZWQLFO-UHFFFAOYSA-N -1 3 274.295 3.167 20 0 CGADHM O=c1c(-c2cccc([O-])c2F)cccn1-c1ccc(F)cc1 ZINC001243545595 823438197 /nfs/dbraw/zinc/43/81/97/823438197.db2.gz NJSQZAACJHRNMN-UHFFFAOYSA-N -1 3 299.276 3.488 20 0 CGADHM CC(C)Cn1cc(-c2cccc([O-])c2F)ccc1=O ZINC001243546906 823439023 /nfs/dbraw/zinc/43/90/23/823439023.db2.gz UJCFEUUWPFAJFW-UHFFFAOYSA-N -1 3 261.296 3.016 20 0 CGADHM CC(C)Cn1ccc(-c2cccc([O-])c2F)cc1=O ZINC001243546702 823439074 /nfs/dbraw/zinc/43/90/74/823439074.db2.gz SFNOAXGIUVXAPA-UHFFFAOYSA-N -1 3 261.296 3.016 20 0 CGADHM COC(=O)c1ccc(-c2cccc([O-])c2F)cc1F ZINC001243547614 823439494 /nfs/dbraw/zinc/43/94/94/823439494.db2.gz YIYOYNBZNWLOGB-UHFFFAOYSA-N -1 3 264.227 3.124 20 0 CGADHM [O-]c1cccc(-c2ccccc2CN2CCOCC2)c1F ZINC001243547687 823439629 /nfs/dbraw/zinc/43/96/29/823439629.db2.gz VGTRDIOISATPAH-UHFFFAOYSA-N -1 3 287.334 3.031 20 0 CGADHM CC[C@@H](C)Oc1nccnc1-c1cccc([O-])c1F ZINC001243547008 823439667 /nfs/dbraw/zinc/43/96/67/823439667.db2.gz SLDZRGBXKFFMIM-SECBINFHSA-N -1 3 262.284 3.166 20 0 CGADHM Cc1cc(-c2nnn[n-]2)ccc1-c1ccn(C(C)C)c1 ZINC001239079258 820215912 /nfs/dbraw/zinc/21/59/12/820215912.db2.gz VIKMFHJQNZZIGI-UHFFFAOYSA-N -1 3 267.336 3.225 20 0 CGADHM Cc1cc(-c2nn[n-]n2)ccc1-c1ccn(C(C)C)c1 ZINC001239079258 820215920 /nfs/dbraw/zinc/21/59/20/820215920.db2.gz VIKMFHJQNZZIGI-UHFFFAOYSA-N -1 3 267.336 3.225 20 0 CGADHM O=c1occcc1-c1ccc(C(F)(F)F)cc1[O-] ZINC001243612281 823466936 /nfs/dbraw/zinc/46/69/36/823466936.db2.gz WQJZYPOWWFLNDD-UHFFFAOYSA-N -1 3 256.179 3.031 20 0 CGADHM CCc1ncncc1-c1ccc(C(F)(F)F)cc1[O-] ZINC001243611365 823467107 /nfs/dbraw/zinc/46/71/07/823467107.db2.gz HMSAXNLDPNSWMQ-UHFFFAOYSA-N -1 3 268.238 3.430 20 0 CGADHM O=C([O-])c1c(F)cc(-c2cncc3cc[nH]c32)cc1F ZINC001239353348 820287414 /nfs/dbraw/zinc/28/74/14/820287414.db2.gz REXRAVSLKBSKRT-UHFFFAOYSA-N -1 3 274.226 3.206 20 0 CGADHM Cc1ccc(-c2ccc(C)c(-c3nnn[n-]3)c2)cc1 ZINC001239480670 820330218 /nfs/dbraw/zinc/33/02/18/820330218.db2.gz GMZQNSSXDQXWPY-UHFFFAOYSA-N -1 3 250.305 3.151 20 0 CGADHM Cc1ccc(-c2ccc(C)c(-c3nn[n-]n3)c2)cc1 ZINC001239480670 820330230 /nfs/dbraw/zinc/33/02/30/820330230.db2.gz GMZQNSSXDQXWPY-UHFFFAOYSA-N -1 3 250.305 3.151 20 0 CGADHM Cc1cc(C)cc(-c2ccccc2-c2nnn[n-]2)c1 ZINC001239523929 820373572 /nfs/dbraw/zinc/37/35/72/820373572.db2.gz MEDOUUHKYIXJFS-UHFFFAOYSA-N -1 3 250.305 3.151 20 0 CGADHM Cc1cc(C)cc(-c2ccccc2-c2nn[n-]n2)c1 ZINC001239523929 820373581 /nfs/dbraw/zinc/37/35/81/820373581.db2.gz MEDOUUHKYIXJFS-UHFFFAOYSA-N -1 3 250.305 3.151 20 0 CGADHM Cc1cc(C)cc(-c2cc(F)cc(-c3nnn[n-]3)c2)c1 ZINC001239527812 820376905 /nfs/dbraw/zinc/37/69/05/820376905.db2.gz RUVHCWHUDRFQIM-UHFFFAOYSA-N -1 3 268.295 3.290 20 0 CGADHM Cc1cc(C)cc(-c2cc(F)cc(-c3nn[n-]n3)c2)c1 ZINC001239527812 820376916 /nfs/dbraw/zinc/37/69/16/820376916.db2.gz RUVHCWHUDRFQIM-UHFFFAOYSA-N -1 3 268.295 3.290 20 0 CGADHM CC(=O)c1cccc(-c2ccc(C)c(-c3nnn[n-]3)c2)c1 ZINC001239638028 820483460 /nfs/dbraw/zinc/48/34/60/820483460.db2.gz IIUHTDTVQKZKJY-UHFFFAOYSA-N -1 3 278.315 3.045 20 0 CGADHM CC(=O)c1cccc(-c2ccc(C)c(-c3nn[n-]n3)c2)c1 ZINC001239638028 820483463 /nfs/dbraw/zinc/48/34/63/820483463.db2.gz IIUHTDTVQKZKJY-UHFFFAOYSA-N -1 3 278.315 3.045 20 0 CGADHM COc1ccc(-c2nnn[n-]2)cc1-c1cccc(C)c1C ZINC001239716017 820542124 /nfs/dbraw/zinc/54/21/24/820542124.db2.gz DHAPOUANBGGQMS-UHFFFAOYSA-N -1 3 280.331 3.159 20 0 CGADHM COc1ccc(-c2nn[n-]n2)cc1-c1cccc(C)c1C ZINC001239716017 820542131 /nfs/dbraw/zinc/54/21/31/820542131.db2.gz DHAPOUANBGGQMS-UHFFFAOYSA-N -1 3 280.331 3.159 20 0 CGADHM CN1CCN(Cc2cccc(-c3ccccc3[S-])c2)CC1 ZINC001240292716 820941059 /nfs/dbraw/zinc/94/10/59/820941059.db2.gz HWFVCCYQSIPPPH-UHFFFAOYSA-N -1 3 298.455 3.390 20 0 CGADHM c1nc2ccc(-c3cccc(-c4nnn[n-]4)c3)cc2s1 ZINC001240347103 820983332 /nfs/dbraw/zinc/98/33/32/820983332.db2.gz SHTKUBWAIHWRAM-UHFFFAOYSA-N -1 3 279.328 3.143 20 0 CGADHM c1nc2ccc(-c3cccc(-c4nn[n-]n4)c3)cc2s1 ZINC001240347103 820983339 /nfs/dbraw/zinc/98/33/39/820983339.db2.gz SHTKUBWAIHWRAM-UHFFFAOYSA-N -1 3 279.328 3.143 20 0 CGADHM Cn1ccc2ccc(-c3ccc(-c4nnn[n-]4)c(F)c3)cc21 ZINC001240574961 821161130 /nfs/dbraw/zinc/16/11/30/821161130.db2.gz MJQDBFAFJCMMNL-UHFFFAOYSA-N -1 3 293.305 3.165 20 0 CGADHM Cn1ccc2ccc(-c3ccc(-c4nn[n-]n4)c(F)c3)cc21 ZINC001240574961 821161138 /nfs/dbraw/zinc/16/11/38/821161138.db2.gz MJQDBFAFJCMMNL-UHFFFAOYSA-N -1 3 293.305 3.165 20 0 CGADHM Cc1cc(F)cc(-c2ccc(-c3nnn[n-]3)cc2C)c1 ZINC001240596921 821177732 /nfs/dbraw/zinc/17/77/32/821177732.db2.gz KVBXTZIFKDZHKX-UHFFFAOYSA-N -1 3 268.295 3.290 20 0 CGADHM Cc1cc(F)cc(-c2ccc(-c3nn[n-]n3)cc2C)c1 ZINC001240596921 821177737 /nfs/dbraw/zinc/17/77/37/821177737.db2.gz KVBXTZIFKDZHKX-UHFFFAOYSA-N -1 3 268.295 3.290 20 0 CGADHM COc1cc(C(=O)[O-])ccc1-c1ccc2c(N)ccnc2c1 ZINC001240735759 821288164 /nfs/dbraw/zinc/28/81/64/821288164.db2.gz BRSDJLDOWANKCZ-UHFFFAOYSA-N -1 3 294.310 3.191 20 0 CGADHM Cc1ccc2ncnc(-c3ccc([O-])c(F)c3)c2c1 ZINC001240783136 821322623 /nfs/dbraw/zinc/32/26/23/821322623.db2.gz LTLRWHZNTQROQH-UHFFFAOYSA-N -1 3 254.264 3.450 20 0 CGADHM [O-]c1ccc(-c2ncccc2C2CCOCC2)cc1F ZINC001240785754 821325168 /nfs/dbraw/zinc/32/51/68/821325168.db2.gz DKQDPMIAUBQDEE-UHFFFAOYSA-N -1 3 273.307 3.487 20 0 CGADHM Cc1cc2ncccc2nc1-c1ccc([O-])c(F)c1 ZINC001240786077 821325675 /nfs/dbraw/zinc/32/56/75/821325675.db2.gz KUFDKOGIEIGQPJ-UHFFFAOYSA-N -1 3 254.264 3.450 20 0 CGADHM COCc1cc(-c2ccc([O-])c(F)c2)ccc1F ZINC001240787461 821330105 /nfs/dbraw/zinc/33/01/05/821330105.db2.gz GDSDQPYOZDPJMD-UHFFFAOYSA-N -1 3 250.244 3.484 20 0 CGADHM O=c1ccc(-c2ccc([O-])c(F)c2)cn1-c1ccccc1 ZINC001240790025 821331886 /nfs/dbraw/zinc/33/18/86/821331886.db2.gz GZEPGJKUJFBFNM-UHFFFAOYSA-N -1 3 281.286 3.349 20 0 CGADHM O=c1cc(-c2ccc([O-])c(F)c2)ccn1-c1ccccc1 ZINC001240789781 821332982 /nfs/dbraw/zinc/33/29/82/821332982.db2.gz DMARCTVYOZGANZ-UHFFFAOYSA-N -1 3 281.286 3.349 20 0 CGADHM CC1(C)NC(=O)Cc2cc(-c3ccc([O-])c(F)c3)ccc21 ZINC001240791310 821335469 /nfs/dbraw/zinc/33/54/69/821335469.db2.gz ZASIXCBKCVSMDH-UHFFFAOYSA-N -1 3 285.318 3.106 20 0 CGADHM Cc1ccc(-c2cccc3ncccc32)cc1-c1nnn[n-]1 ZINC001240940928 821430840 /nfs/dbraw/zinc/43/08/40/821430840.db2.gz MVPKJWUYWVMYSK-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM Cc1ccc(-c2cccc3ncccc32)cc1-c1nn[n-]n1 ZINC001240940928 821430846 /nfs/dbraw/zinc/43/08/46/821430846.db2.gz MVPKJWUYWVMYSK-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM COc1c(C)cc(-c2ccc(F)c(-c3nnn[n-]3)c2)cc1C ZINC001241017679 821493833 /nfs/dbraw/zinc/49/38/33/821493833.db2.gz NEDYTQVSIIGWJD-UHFFFAOYSA-N -1 3 298.321 3.298 20 0 CGADHM COc1c(C)cc(-c2ccc(F)c(-c3nn[n-]n3)c2)cc1C ZINC001241017679 821493837 /nfs/dbraw/zinc/49/38/37/821493837.db2.gz NEDYTQVSIIGWJD-UHFFFAOYSA-N -1 3 298.321 3.298 20 0 CGADHM COC(=O)c1cccc2c1ncnc2-c1ccc(C)cc1[O-] ZINC001241035997 821511763 /nfs/dbraw/zinc/51/17/63/821511763.db2.gz KUBKMDFZYONVSA-UHFFFAOYSA-N -1 3 294.310 3.097 20 0 CGADHM Fc1ccc(F)c(-c2ccc(F)c(-c3nnn[n-]3)c2)c1F ZINC001241049574 821523995 /nfs/dbraw/zinc/52/39/95/821523995.db2.gz IZHYHNQEYVGMTI-UHFFFAOYSA-N -1 3 294.211 3.090 20 0 CGADHM Fc1ccc(F)c(-c2ccc(F)c(-c3nn[n-]n3)c2)c1F ZINC001241049574 821523998 /nfs/dbraw/zinc/52/39/98/821523998.db2.gz IZHYHNQEYVGMTI-UHFFFAOYSA-N -1 3 294.211 3.090 20 0 CGADHM Cc1ccc(-c2c(F)cc(F)cc2F)cc1-c1nnn[n-]1 ZINC001241171940 821615183 /nfs/dbraw/zinc/61/51/83/821615183.db2.gz ACQHIHCOJYXWJO-UHFFFAOYSA-N -1 3 290.248 3.259 20 0 CGADHM Cc1ccc(-c2c(F)cc(F)cc2F)cc1-c1nn[n-]n1 ZINC001241171940 821615185 /nfs/dbraw/zinc/61/51/85/821615185.db2.gz ACQHIHCOJYXWJO-UHFFFAOYSA-N -1 3 290.248 3.259 20 0 CGADHM [O-]c1cc(F)cc(-c2ncnc3cc(F)ccc32)c1 ZINC001241257180 821676803 /nfs/dbraw/zinc/67/68/03/821676803.db2.gz GZZOWPKXFJROFK-UHFFFAOYSA-N -1 3 258.227 3.281 20 0 CGADHM CCCSc1cncc(-c2cc([O-])cc(F)c2)n1 ZINC001241262241 821681366 /nfs/dbraw/zinc/68/13/66/821681366.db2.gz YFFAHLWRCLCQNY-UHFFFAOYSA-N -1 3 264.325 3.490 20 0 CGADHM COC(OC)c1cc(C)cnc1-c1cc([O-])cc(F)c1 ZINC001241262547 821682513 /nfs/dbraw/zinc/68/25/13/821682513.db2.gz OCCFJUBGGRWTQD-UHFFFAOYSA-N -1 3 277.295 3.193 20 0 CGADHM COC(=O)c1cc2ncoc2c(-c2cc([O-])cc(F)c2)c1 ZINC001241271020 821690261 /nfs/dbraw/zinc/69/02/61/821690261.db2.gz HLHPIRPSBRYBOO-UHFFFAOYSA-N -1 3 287.246 3.126 20 0 CGADHM COC(=O)c1cc2ccc(-c3cc([O-])cc(F)c3)cc2[nH]1 ZINC001241272834 821690867 /nfs/dbraw/zinc/69/08/67/821690867.db2.gz ZZVAPXCJOCOYPH-UHFFFAOYSA-N -1 3 285.274 3.466 20 0 CGADHM COC(=O)c1noc2ccc(-c3cc([O-])cc(F)c3)cc21 ZINC001241282194 821701857 /nfs/dbraw/zinc/70/18/57/821701857.db2.gz JOXLHNULPHKQST-UHFFFAOYSA-N -1 3 287.246 3.126 20 0 CGADHM CN1CCOc2ccc(-c3cc([O-])cc(F)c3)cc21 ZINC001241282214 821702380 /nfs/dbraw/zinc/70/23/80/821702380.db2.gz KGBCBYOZDCMDMO-UHFFFAOYSA-N -1 3 259.280 3.027 20 0 CGADHM COC(=O)c1ccc(OC)cc1-c1c(F)ccc([O-])c1F ZINC001241293310 821710995 /nfs/dbraw/zinc/71/09/95/821710995.db2.gz RMMJRQUIPJLYOL-UHFFFAOYSA-N -1 3 294.253 3.133 20 0 CGADHM O=C1Nc2cccc(-c3c(F)ccc([O-])c3F)c2C12CC2 ZINC001241294324 821712890 /nfs/dbraw/zinc/71/28/90/821712890.db2.gz QEXLOLOCNORMSB-UHFFFAOYSA-N -1 3 287.265 3.321 20 0 CGADHM CCOc1ccc(F)c(F)c1-c1ccc(=S)[n-]n1 ZINC001241307964 821721614 /nfs/dbraw/zinc/72/16/14/821721614.db2.gz IQYZUZAVVNOEIG-UHFFFAOYSA-N -1 3 268.288 3.109 20 0 CGADHM c1ccc(-c2ccc3ncccc3c2)c(-c2nnn[n-]2)c1 ZINC001241398129 821796011 /nfs/dbraw/zinc/79/60/11/821796011.db2.gz BXKUZVWJRPYTLX-UHFFFAOYSA-N -1 3 273.299 3.082 20 0 CGADHM c1ccc(-c2ccc3ncccc3c2)c(-c2nn[n-]n2)c1 ZINC001241398129 821796015 /nfs/dbraw/zinc/79/60/15/821796015.db2.gz BXKUZVWJRPYTLX-UHFFFAOYSA-N -1 3 273.299 3.082 20 0 CGADHM Cc1cccc2ccc(-c3ccc(-c4nnn[n-]4)cc3)nc12 ZINC001241440855 821834539 /nfs/dbraw/zinc/83/45/39/821834539.db2.gz BYNNDYIMXKGBLA-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM Cc1cccc2ccc(-c3ccc(-c4nn[n-]n4)cc3)nc12 ZINC001241440855 821834550 /nfs/dbraw/zinc/83/45/50/821834550.db2.gz BYNNDYIMXKGBLA-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM Cc1c(F)cc(-c2ccc(-c3nnn[n-]3)cc2)cc1F ZINC001241444449 821838015 /nfs/dbraw/zinc/83/80/15/821838015.db2.gz BURLXNKCZSYKJB-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM Cc1c(F)cc(-c2ccc(-c3nn[n-]n3)cc2)cc1F ZINC001241444449 821838023 /nfs/dbraw/zinc/83/80/23/821838023.db2.gz BURLXNKCZSYKJB-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM Cc1cc(-c2ccc(-c3nnn[n-]3)cc2)cc2[nH]ccc21 ZINC001241446070 821841791 /nfs/dbraw/zinc/84/17/91/821841791.db2.gz JFQDKLGFYOXQLI-UHFFFAOYSA-N -1 3 275.315 3.323 20 0 CGADHM Cc1cc(-c2ccc(-c3nn[n-]n3)cc2)cc2[nH]ccc21 ZINC001241446070 821841799 /nfs/dbraw/zinc/84/17/99/821841799.db2.gz JFQDKLGFYOXQLI-UHFFFAOYSA-N -1 3 275.315 3.323 20 0 CGADHM COc1ccc(-c2cc(N3CCCC3)ccn2)cc1C(=O)[O-] ZINC001241855455 822180630 /nfs/dbraw/zinc/18/06/30/822180630.db2.gz BHKOEAYVNDABNG-UHFFFAOYSA-N -1 3 298.342 3.056 20 0 CGADHM C=Cc1cccc(-c2ccc3[n-]c(C(=O)OC)nc3n2)c1 ZINC001241962167 822248449 /nfs/dbraw/zinc/24/84/49/822248449.db2.gz SPVJXFKQKLXAPA-UHFFFAOYSA-N -1 3 279.299 3.055 20 0 CGADHM C=Cc1cccc(-c2ccc3nc(C(=O)OC)[n-]c3n2)c1 ZINC001241962167 822248455 /nfs/dbraw/zinc/24/84/55/822248455.db2.gz SPVJXFKQKLXAPA-UHFFFAOYSA-N -1 3 279.299 3.055 20 0 CGADHM C=Cc1cccc(-c2ccc3nc(C(=O)OC)nc-3[n-]2)c1 ZINC001241962167 822248462 /nfs/dbraw/zinc/24/84/62/822248462.db2.gz SPVJXFKQKLXAPA-UHFFFAOYSA-N -1 3 279.299 3.055 20 0 CGADHM COCOc1cc(-c2ccc(F)cc2[O-])ccc1F ZINC001242219935 822916388 /nfs/dbraw/zinc/91/63/88/822916388.db2.gz XIXUUSKLMRRECZ-UHFFFAOYSA-N -1 3 266.243 3.320 20 0 CGADHM COc1nccc(-c2ccc([O-])c(C(F)(F)F)c2)c1N ZINC001242158210 822899113 /nfs/dbraw/zinc/89/91/13/822899113.db2.gz SNGCDEODFGCWRD-UHFFFAOYSA-N -1 3 284.237 3.064 20 0 CGADHM COc1ccc(-c2ccc3c(c2)[N-]C(=S)C3)cc1O ZINC001242176567 822903723 /nfs/dbraw/zinc/90/37/23/822903723.db2.gz MVMGBQSIZQBTGG-UHFFFAOYSA-N -1 3 271.341 3.363 20 0 CGADHM [O-]c1cc(F)ccc1-c1cccc(CN2CCOCC2)c1 ZINC001242218391 822915087 /nfs/dbraw/zinc/91/50/87/822915087.db2.gz CCAVPBFREYLSRW-UHFFFAOYSA-N -1 3 287.334 3.031 20 0 CGADHM Cc1nc2c(ncc(-c3ccc(F)cc3[O-])c2C)[nH]1 ZINC001242219340 822915632 /nfs/dbraw/zinc/91/56/32/822915632.db2.gz DWTGGEDIBAWFKZ-UHFFFAOYSA-N -1 3 257.268 3.086 20 0 CGADHM [O-]c1cc(F)ccc1-c1cncc(-c2ncco2)c1 ZINC001242219535 822916222 /nfs/dbraw/zinc/91/62/22/822916222.db2.gz JZQXMDIJWFKSBF-UHFFFAOYSA-N -1 3 256.236 3.248 20 0 CGADHM CC1(C)NC(=O)Cc2c(-c3ccc(F)cc3[O-])cccc21 ZINC001242219560 822916320 /nfs/dbraw/zinc/91/63/20/822916320.db2.gz KSPWOLANGBAYGH-UHFFFAOYSA-N -1 3 285.318 3.106 20 0 CGADHM COC(=O)c1c[nH]c2ccc(-c3ccc(F)cc3[O-])cc21 ZINC001242220644 822916799 /nfs/dbraw/zinc/91/67/99/822916799.db2.gz ITPMYBQKVPNCKY-UHFFFAOYSA-N -1 3 285.274 3.466 20 0 CGADHM Cn1c(=O)ccc2ccc(-c3ccc(F)cc3[O-])cc21 ZINC001242221579 822917254 /nfs/dbraw/zinc/91/72/54/822917254.db2.gz NKKNJVMZZZQJBE-UHFFFAOYSA-N -1 3 269.275 3.050 20 0 CGADHM Cc1ccc(C2=CCC(F)(F)CC2)cc1-c1nnn[n-]1 ZINC001242236731 822921476 /nfs/dbraw/zinc/92/14/76/822921476.db2.gz PRELKRMHZBNXDU-UHFFFAOYSA-N -1 3 276.290 3.378 20 0 CGADHM Cc1ccc(C2=CCC(F)(F)CC2)cc1-c1nn[n-]n1 ZINC001242236731 822921479 /nfs/dbraw/zinc/92/14/79/822921479.db2.gz PRELKRMHZBNXDU-UHFFFAOYSA-N -1 3 276.290 3.378 20 0 CGADHM Fc1cc(F)c(-c2ccccc2-c2nnn[n-]2)cc1Cl ZINC001242291065 822940868 /nfs/dbraw/zinc/94/08/68/822940868.db2.gz OMNWRQQVMZJWCS-UHFFFAOYSA-N -1 3 292.676 3.465 20 0 CGADHM Fc1cc(F)c(-c2ccccc2-c2nn[n-]n2)cc1Cl ZINC001242291065 822940870 /nfs/dbraw/zinc/94/08/70/822940870.db2.gz OMNWRQQVMZJWCS-UHFFFAOYSA-N -1 3 292.676 3.465 20 0 CGADHM CC(=O)N1CCCc2ccc(-c3cccc(F)c3[O-])cc21 ZINC001242351298 822961143 /nfs/dbraw/zinc/96/11/43/822961143.db2.gz RDMPAWJKXUVJPS-UHFFFAOYSA-N -1 3 285.318 3.497 20 0 CGADHM [O-]c1c(F)cccc1-c1cc(F)cc(N2CCOCC2)c1 ZINC001242352327 822962170 /nfs/dbraw/zinc/96/21/70/822962170.db2.gz SCQBAWFIDHIVPO-UHFFFAOYSA-N -1 3 291.297 3.174 20 0 CGADHM O=c1ccc(-c2cccc(F)c2[O-])cn1-c1cccc(F)c1 ZINC001242353129 822962493 /nfs/dbraw/zinc/96/24/93/822962493.db2.gz VJDKTKFCXZCKIV-UHFFFAOYSA-N -1 3 299.276 3.488 20 0 CGADHM CCOC(=O)c1ccc(-c2cccc(F)c2[O-])cc1OC ZINC001242352952 822962787 /nfs/dbraw/zinc/96/27/87/822962787.db2.gz IAVZNRDPJPUGSH-UHFFFAOYSA-N -1 3 290.290 3.384 20 0 CGADHM Fc1cc(-c2nnn[n-]2)cc(-c2cccc3cc[nH]c32)c1 ZINC001242362419 822966926 /nfs/dbraw/zinc/96/69/26/822966926.db2.gz JMIVYBBFLHFOOK-UHFFFAOYSA-N -1 3 279.278 3.154 20 0 CGADHM Fc1cc(-c2nn[n-]n2)cc(-c2cccc3cc[nH]c32)c1 ZINC001242362419 822966927 /nfs/dbraw/zinc/96/69/27/822966927.db2.gz JMIVYBBFLHFOOK-UHFFFAOYSA-N -1 3 279.278 3.154 20 0 CGADHM Fc1cccc(-c2ccc(-c3nnn[n-]3)c(F)c2)c1Cl ZINC001242574849 823040047 /nfs/dbraw/zinc/04/00/47/823040047.db2.gz YSCPALRJSJALIE-UHFFFAOYSA-N -1 3 292.676 3.465 20 0 CGADHM Fc1cccc(-c2ccc(-c3nn[n-]n3)c(F)c2)c1Cl ZINC001242574849 823040049 /nfs/dbraw/zinc/04/00/49/823040049.db2.gz YSCPALRJSJALIE-UHFFFAOYSA-N -1 3 292.676 3.465 20 0 CGADHM Fc1cccc(-c2ccc(F)c(-c3nnn[n-]3)c2)c1Cl ZINC001242574396 823040119 /nfs/dbraw/zinc/04/01/19/823040119.db2.gz OZSQQHMOGTVEAZ-UHFFFAOYSA-N -1 3 292.676 3.465 20 0 CGADHM Fc1cccc(-c2ccc(F)c(-c3nn[n-]n3)c2)c1Cl ZINC001242574396 823040123 /nfs/dbraw/zinc/04/01/23/823040123.db2.gz OZSQQHMOGTVEAZ-UHFFFAOYSA-N -1 3 292.676 3.465 20 0 CGADHM COc1ccccc1CO[N-]C(=O)C12CCC(CC1)CC2 ZINC001338996829 936343782 /nfs/dbraw/zinc/34/37/82/936343782.db2.gz YFOGUIHTZXTTJX-UHFFFAOYSA-N -1 3 289.375 3.213 20 0 CGADHM C[C@H](CCC(=O)[N-]OCc1ccccn1)c1ccccc1 ZINC000909544178 927256296 /nfs/dbraw/zinc/25/62/96/927256296.db2.gz IUVWKBMZUUHTIS-CQSZACIVSA-N -1 3 284.359 3.213 20 0 CGADHM [O-]c1cccc(O[C@@H]2C=CCC2)c1Br ZINC001229140864 927323434 /nfs/dbraw/zinc/32/34/34/927323434.db2.gz GWZOPYKJDNLZSJ-MRVPVSSYSA-N -1 3 255.111 3.252 20 0 CGADHM Cc1cccc(C(=O)Nc2cc([O-])cc(Cl)c2)n1 ZINC001147215329 928209412 /nfs/dbraw/zinc/20/94/12/928209412.db2.gz WIEIRGGCPWAGCW-UHFFFAOYSA-N -1 3 262.696 3.001 20 0 CGADHM CC(C)c1ccc(C(=O)NC[C@@H]2CC2(C)C)c([O-])c1 ZINC001443773104 937348268 /nfs/dbraw/zinc/34/82/68/937348268.db2.gz SVPZNWZJZQYDEJ-LBPRGKRZSA-N -1 3 261.365 3.292 20 0 CGADHM C[C@H]1Cc2cc(C(=O)Nc3cccc([O-])c3F)ccc2O1 ZINC001446243603 937362806 /nfs/dbraw/zinc/36/28/06/937362806.db2.gz ZOFJTNZGVLNPOT-VIFPVBQESA-N -1 3 287.290 3.107 20 0 CGADHM O=C(Nc1ccc(Cl)cc1[O-])[C@@H]1CCc2cccnc21 ZINC001447286015 937367615 /nfs/dbraw/zinc/36/76/15/937367615.db2.gz GOFIUCHMLBYHQP-LLVKDONJSA-N -1 3 288.734 3.109 20 0 CGADHM CCc1ccc([O-])c(C(=O)N[C@@H](C(C)C)C(F)(F)F)c1 ZINC001447964465 937372109 /nfs/dbraw/zinc/37/21/09/937372109.db2.gz DZOLBGILEAHKSO-LBPRGKRZSA-N -1 3 289.297 3.271 20 0 CGADHM COc1ccc(C(=O)NC[C@@H]2CCC[C@@H](C)[C@@H]2C)c([O-])c1 ZINC001448660552 937375855 /nfs/dbraw/zinc/37/58/55/937375855.db2.gz IYQBWRRUDBYYGG-AGIUHOORSA-N -1 3 291.391 3.203 20 0 CGADHM C[C@@H]1CCCC[C@@H]1CC(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC001450051573 937382738 /nfs/dbraw/zinc/38/27/38/937382738.db2.gz POXPQWJBNSIFJO-GHMZBOCLSA-N -1 3 287.363 3.423 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)C12CCC(CC1)C2(C)C ZINC001450379058 937385285 /nfs/dbraw/zinc/38/52/85/937385285.db2.gz YYEXNOZJWVGMED-XIKARTHZSA-N -1 3 253.386 3.297 20 0 CGADHM CCON(Cc1ccccc1)C(=O)c1c(C)cccc1[O-] ZINC001451003850 937388618 /nfs/dbraw/zinc/38/86/18/937388618.db2.gz NGKVGRSGVLZPAD-UHFFFAOYSA-N -1 3 285.343 3.295 20 0 CGADHM CSc1ccc([O-])c(C(=O)N[C@]23C[C@H]2CCCC3)c1 ZINC001454706672 937411327 /nfs/dbraw/zinc/41/13/27/937411327.db2.gz OFGKOTTZWIUIDY-MEBBXXQBSA-N -1 3 277.389 3.177 20 0 CGADHM CCc1cccc(C(=O)Nc2nn(C)c3ccccc32)c1[O-] ZINC001457134294 937439095 /nfs/dbraw/zinc/43/90/95/937439095.db2.gz ARTNTHOXVGHRTO-UHFFFAOYSA-N -1 3 295.342 3.094 20 0 CGADHM CC1=C(Oc2cc(Cl)c(Cl)cc2[O-])C(=O)O[C@H]1C ZINC001229552122 932169927 /nfs/dbraw/zinc/16/99/27/932169927.db2.gz DYXWFHPAQHEDNA-LURJTMIESA-N -1 3 289.114 3.297 20 0 CGADHM S=c1nc(O[C@H]2C=CCCC2)c2ccsc2[n-]1 ZINC001229569022 932171850 /nfs/dbraw/zinc/17/18/50/932171850.db2.gz IPTABSHKDRCUBU-QMMMGPOBSA-N -1 3 264.375 3.468 20 0 CGADHM Cc1nc(O[C@H](C)c2cccs2)c(C)c(=O)[n-]1 ZINC001229684015 932188540 /nfs/dbraw/zinc/18/85/40/932188540.db2.gz SOTZWADXSCGFFT-MRVPVSSYSA-N -1 3 250.323 3.001 20 0 CGADHM CC[C@@H](Oc1nc(C)[n-]c(=O)c1C)c1ccccc1F ZINC001229687291 932469926 /nfs/dbraw/zinc/46/99/26/932469926.db2.gz DLHPZUSQZDTZKQ-CYBMUJFWSA-N -1 3 276.311 3.468 20 0 CGADHM CCC[C@@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC001229954603 932508997 /nfs/dbraw/zinc/50/89/97/932508997.db2.gz NJAJBEVVSRGIER-GFCCVEGCSA-N -1 3 260.341 3.070 20 0 CGADHM CCC[C@@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC001229954603 932509000 /nfs/dbraw/zinc/50/90/00/932509000.db2.gz NJAJBEVVSRGIER-GFCCVEGCSA-N -1 3 260.341 3.070 20 0 CGADHM c1ccc(-c2nnn[n-]2)c(O[C@H]2CCC=CCCC2)c1 ZINC001229954494 932509424 /nfs/dbraw/zinc/50/94/24/932509424.db2.gz LIWRCGINNUDCON-LBPRGKRZSA-N -1 3 270.336 3.134 20 0 CGADHM c1ccc(-c2nn[n-]n2)c(O[C@H]2CCC=CCCC2)c1 ZINC001229954494 932509427 /nfs/dbraw/zinc/50/94/27/932509427.db2.gz LIWRCGINNUDCON-LBPRGKRZSA-N -1 3 270.336 3.134 20 0 CGADHM CC[C@@H](C)C[C@@H](CC)Oc1ccccc1-c1nnn[n-]1 ZINC001229954749 932509573 /nfs/dbraw/zinc/50/95/73/932509573.db2.gz OMPXOGZRHQJLTB-VXGBXAGGSA-N -1 3 274.368 3.460 20 0 CGADHM CC[C@@H](C)C[C@@H](CC)Oc1ccccc1-c1nn[n-]n1 ZINC001229954749 932509580 /nfs/dbraw/zinc/50/95/80/932509580.db2.gz OMPXOGZRHQJLTB-VXGBXAGGSA-N -1 3 274.368 3.460 20 0 CGADHM CCC[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC001231073112 932671447 /nfs/dbraw/zinc/67/14/47/932671447.db2.gz ISQGROGPUUJZMH-ZDUSSCGKSA-N -1 3 260.341 3.070 20 0 CGADHM O=c1nc2cccc(F)c2c(O[C@H]2CCCC[C@H]2F)[n-]1 ZINC001231075287 932672502 /nfs/dbraw/zinc/67/25/02/932672502.db2.gz ZOQSKHRRNKJRAS-KCJUWKMLSA-N -1 3 280.274 3.134 20 0 CGADHM CCC[C@H](C)[C@@H](CC)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001231076405 932672531 /nfs/dbraw/zinc/67/25/31/932672531.db2.gz KZTYMAVPNKBHQO-SMDDNHRTSA-N -1 3 274.368 3.460 20 0 CGADHM CCCC/C=C/[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001231076140 932672942 /nfs/dbraw/zinc/67/29/42/932672942.db2.gz IPOAUDBCKWXYPX-SYTKJHMZSA-N -1 3 272.352 3.380 20 0 CGADHM CC(C)CCC[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001231074879 932673012 /nfs/dbraw/zinc/67/30/12/932673012.db2.gz ZRCAOQYXCYGTSK-GFCCVEGCSA-N -1 3 274.368 3.460 20 0 CGADHM Cc1ccc(-c2nnc(-c3cnc(C(F)(F)F)[n-]3)o2)cc1 ZINC001252674464 932721890 /nfs/dbraw/zinc/72/18/90/932721890.db2.gz QLYTXRPUSQLXLI-UHFFFAOYSA-N -1 3 294.236 3.454 20 0 CGADHM Cc1ccc(-c2nnc(-c3c[n-]c(C(F)(F)F)n3)o2)cc1 ZINC001252674464 932721894 /nfs/dbraw/zinc/72/18/94/932721894.db2.gz QLYTXRPUSQLXLI-UHFFFAOYSA-N -1 3 294.236 3.454 20 0 CGADHM CCc1ccc(C(=O)N[C@H](C)Cc2ccsc2)c([O-])c1 ZINC001464399458 937690119 /nfs/dbraw/zinc/69/01/19/937690119.db2.gz KQGWNTVYJDIRPK-LLVKDONJSA-N -1 3 289.400 3.377 20 0 CGADHM Cc1cnc(F)cc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC001466261085 937707442 /nfs/dbraw/zinc/70/74/42/937707442.db2.gz DEKHFDJGXIZBDJ-UHFFFAOYSA-N -1 3 280.686 3.140 20 0 CGADHM CC(C)c1cccc(CNC(=O)c2ccccc2[O-])c1 ZINC001467234485 937716364 /nfs/dbraw/zinc/71/63/64/937716364.db2.gz DBKYJPKIIPBWCJ-UHFFFAOYSA-N -1 3 269.344 3.446 20 0 CGADHM CC(=O)c1ccc(C(=O)Nc2ccc3cc[nH]c3c2)cc1[O-] ZINC001467550948 937718858 /nfs/dbraw/zinc/71/88/58/937718858.db2.gz XZQHSDVRRIMLIB-UHFFFAOYSA-N -1 3 294.310 3.328 20 0 CGADHM C[C@H](OC1CCCCC1)C(=O)Nc1cccc([O-])c1F ZINC001320326122 934031224 /nfs/dbraw/zinc/03/12/24/934031224.db2.gz LESGMMNCVDHLCV-JTQLQIEISA-N -1 3 281.327 3.208 20 0 CGADHM CSc1ccc([O-])c(C(=O)NC[C@@H]2C[C@@H]2[C@@H]2C[C@H]2C)c1 ZINC001471882842 937770339 /nfs/dbraw/zinc/77/03/39/937770339.db2.gz ODPVXTQARJYVKX-DNIRFERGSA-N -1 3 291.416 3.136 20 0 CGADHM Cc1ccc(C(=O)N[C@]2(C)CCOc3ccccc32)c([O-])c1 ZINC001472034847 937771578 /nfs/dbraw/zinc/77/15/78/937771578.db2.gz RBMAUHBMMFGAFT-GOSISDBHSA-N -1 3 297.354 3.128 20 0 CGADHM CCc1cc(=O)[n-]c(-c2ccc(NC/C=C\C3CC3)nc2)n1 ZINC001327801438 935085182 /nfs/dbraw/zinc/08/51/82/935085182.db2.gz ZPTNMRIOLKPGKX-ARJAWSKDSA-N -1 3 296.374 3.185 20 0 CGADHM CC(C)(C)O[N-]C(=O)CCc1cccc(OC(F)F)c1 ZINC001328022883 935109905 /nfs/dbraw/zinc/10/99/05/935109905.db2.gz XYKQHYLRIGKRNH-UHFFFAOYSA-N -1 3 287.306 3.067 20 0 CGADHM CCC[C@H](C)CC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC001475631533 936226426 /nfs/dbraw/zinc/22/64/26/936226426.db2.gz SSWQFNAMHCTDSH-JTQLQIEISA-N -1 3 291.363 3.069 20 0 CGADHM Cc1cc(=O)[n-]c(NC[C@H]2CCCO[C@@H]2c2ccccc2)n1 ZINC001337746790 936285777 /nfs/dbraw/zinc/28/57/77/936285777.db2.gz RJQZZSYFARFSFP-GDBMZVCRSA-N -1 3 299.374 3.070 20 0 CGADHM CCCOCCOC(=O)c1cccc2[n-]c(C(F)F)nc21 ZINC001516623043 938009342 /nfs/dbraw/zinc/00/93/42/938009342.db2.gz APCOLGLWVABOMV-UHFFFAOYSA-N -1 3 298.289 3.084 20 0 CGADHM CN(Cc1cccnc1)C(=O)c1cc2sccc2c([O-])c1 ZINC001538762325 938120451 /nfs/dbraw/zinc/12/04/51/938120451.db2.gz LLJLWCPDWYTSCM-UHFFFAOYSA-N -1 3 298.367 3.274 20 0 CGADHM CCc1ccc(C(=O)NC2(c3ccccc3)CC2)c([O-])c1 ZINC001542705419 938136747 /nfs/dbraw/zinc/13/67/47/938136747.db2.gz KDHXCMBVBMDPLK-UHFFFAOYSA-N -1 3 281.355 3.374 20 0 CGADHM O=C(c1ccccc1[O-])N1C[C@@H](F)[C@@H](Cc2ccccc2)C1 ZINC001551719633 938184686 /nfs/dbraw/zinc/18/46/86/938184686.db2.gz BFYWIGRTHXKLNG-GOEBONIOSA-N -1 3 299.345 3.045 20 0 CGADHM C[C@@H](Cc1ccco1)C(=O)Nc1ccc(Cl)cc1[O-] ZINC001556081773 938201544 /nfs/dbraw/zinc/20/15/44/938201544.db2.gz LALXNIJVCLIYEG-VIFPVBQESA-N -1 3 279.723 3.456 20 0 CGADHM Cc1cocc1C(=O)Nc1c([O-])cccc1Cl ZINC001556784024 938205628 /nfs/dbraw/zinc/20/56/28/938205628.db2.gz IOWSDCHXRLSRSD-UHFFFAOYSA-N -1 3 251.669 3.199 20 0 CGADHM COc1cccc(C(=O)Nc2cccc(C(C)=O)c2[O-])c1C ZINC001556853280 938206145 /nfs/dbraw/zinc/20/61/45/938206145.db2.gz CBWLKAPPNRYNFD-UHFFFAOYSA-N -1 3 299.326 3.164 20 0 CGADHM C=COc1ccc(NC(=O)c2c(C)cccc2[O-])cc1 ZINC001556964521 938206906 /nfs/dbraw/zinc/20/69/06/938206906.db2.gz COBHEUXMNLSEKR-UHFFFAOYSA-N -1 3 269.300 3.475 20 0 CGADHM C=COc1ccc(NC(=O)c2[n-]cnc2C(F)(F)F)cc1 ZINC001556964511 938206934 /nfs/dbraw/zinc/20/69/34/938206934.db2.gz CEKVNDZLKDRCTH-UHFFFAOYSA-N -1 3 297.236 3.203 20 0 CGADHM C=COc1ccc(NC(=O)c2nc[n-]c2C(F)(F)F)cc1 ZINC001556964511 938206935 /nfs/dbraw/zinc/20/69/35/938206935.db2.gz CEKVNDZLKDRCTH-UHFFFAOYSA-N -1 3 297.236 3.203 20 0 CGADHM Cc1cccc([O-])c1C(=O)NC[C@@H]1CCC[C@H]1C1CC1 ZINC001557023892 938207468 /nfs/dbraw/zinc/20/74/68/938207468.db2.gz BRMDOMYIJLMWBZ-KBPBESRZSA-N -1 3 273.376 3.257 20 0 CGADHM Cc1cccc([O-])c1C(=O)NC[C@H]1C[C@@H]1c1ccccc1 ZINC001557189937 938208412 /nfs/dbraw/zinc/20/84/12/938208412.db2.gz QWUXTNBPDZDJDB-HUUCEWRRSA-N -1 3 281.355 3.234 20 0 CGADHM CCC[C@H](CC1CCCC1)C(=O)Nc1nnc(OCC)[n-]1 ZINC001558011101 938213080 /nfs/dbraw/zinc/21/30/80/938213080.db2.gz BPEUJKMAJHXXSI-GFCCVEGCSA-N -1 3 294.399 3.139 20 0 CGADHM CCC[C@H](CC1CCCC1)C(=O)Nc1n[n-]c(OCC)n1 ZINC001558011101 938213081 /nfs/dbraw/zinc/21/30/81/938213081.db2.gz BPEUJKMAJHXXSI-GFCCVEGCSA-N -1 3 294.399 3.139 20 0 CGADHM CCC[C@H](CC1CCCC1)C(=O)Nc1nc(OCC)n[n-]1 ZINC001558011101 938213082 /nfs/dbraw/zinc/21/30/82/938213082.db2.gz BPEUJKMAJHXXSI-GFCCVEGCSA-N -1 3 294.399 3.139 20 0 CGADHM CC[C@H](CC(=O)[N-]OCCOc1ccccc1)C(C)C ZINC001558778454 938217830 /nfs/dbraw/zinc/21/78/30/938217830.db2.gz WLOBKUVGMQWBTM-CQSZACIVSA-N -1 3 279.380 3.186 20 0 CGADHM Cc1cccc([O-])c1C(=O)Nc1ccc2occc(=O)c2c1 ZINC001558851723 938218013 /nfs/dbraw/zinc/21/80/13/938218013.db2.gz KRZKTJCTHZXBJQ-UHFFFAOYSA-N -1 3 295.294 3.059 20 0 CGADHM O=C([O-])[C@@H]1CC[C@H](N[C@H](c2ccccc2)c2ccccn2)C1 ZINC001601791891 971049955 /nfs/dbraw/zinc/04/99/55/971049955.db2.gz SJDVEFUVYKWUJZ-HLLBOEOZSA-N -1 3 296.370 3.014 20 0 CGADHM O=C([O-])c1csc(CNCc2ccc(Cl)s2)c1 ZINC000095005347 958331111 /nfs/dbraw/zinc/33/11/11/958331111.db2.gz PQIOYWHKLPPIJQ-UHFFFAOYSA-N -1 3 287.793 3.451 20 0 CGADHM C[C@H](NCc1ccsc1C(=O)[O-])c1ccsc1 ZINC000235521915 960450177 /nfs/dbraw/zinc/45/01/77/960450177.db2.gz ULDYWAQIZGGCRF-QMMMGPOBSA-N -1 3 267.375 3.359 20 0 CGADHM C[C@@H]1C[C@@H](NCc2cc(C(=O)[O-])ccc2Cl)CS1 ZINC001594262258 960516451 /nfs/dbraw/zinc/51/64/51/960516451.db2.gz VXCFIESBWFIUND-LDYMZIIASA-N -1 3 285.796 3.022 20 0 CGADHM C[C@H](c1cccc(Cl)c1F)N1CC[C@](C)(C(=O)[O-])C1 ZINC001603287284 972530159 /nfs/dbraw/zinc/53/01/59/972530159.db2.gz UZNCCABJCFLGIQ-OTYXRUKQSA-N -1 3 285.746 3.337 20 0 CGADHM CSc1ccc([O-])c(C(=O)N[C@@H](C)CC(C)C)c1 ZINC001566681918 960990780 /nfs/dbraw/zinc/99/07/80/960990780.db2.gz ZPBJRSACTIUDDD-JTQLQIEISA-N -1 3 267.394 3.279 20 0 CGADHM C[C@H](c1ccc(F)c(Cl)c1)N1CC[C@H](C(=O)[O-])[C@H]1C ZINC000252590462 961274393 /nfs/dbraw/zinc/27/43/93/961274393.db2.gz CSYZPBTZFKFLCX-KKZNHRDASA-N -1 3 285.746 3.335 20 0 CGADHM C[C@H](C(=O)Nc1c([O-])cccc1Cl)c1ccncc1 ZINC001569682377 961821384 /nfs/dbraw/zinc/82/13/84/961821384.db2.gz LUOUFOKKOIOIOK-VIFPVBQESA-N -1 3 276.723 3.183 20 0 CGADHM CC(C)(C)CCOc1c(Cl)cc(F)cc1-c1nnn[n-]1 ZINC001573844699 962282655 /nfs/dbraw/zinc/28/26/55/962282655.db2.gz FNZCMCCEPKFUMD-UHFFFAOYSA-N -1 3 298.749 3.474 20 0 CGADHM CC(C)(C)CCOc1c(Cl)cc(F)cc1-c1nn[n-]n1 ZINC001573844699 962282660 /nfs/dbraw/zinc/28/26/60/962282660.db2.gz FNZCMCCEPKFUMD-UHFFFAOYSA-N -1 3 298.749 3.474 20 0 CGADHM CC(C)(C)SCOc1ccc(-c2nnn[n-]2)cc1Cl ZINC001573876332 962285162 /nfs/dbraw/zinc/28/51/62/962285162.db2.gz LGVYIHFSKLQQHD-UHFFFAOYSA-N -1 3 298.799 3.388 20 0 CGADHM CC(C)(C)SCOc1ccc(-c2nn[n-]n2)cc1Cl ZINC001573876332 962285175 /nfs/dbraw/zinc/28/51/75/962285175.db2.gz LGVYIHFSKLQQHD-UHFFFAOYSA-N -1 3 298.799 3.388 20 0 CGADHM CSc1ccc([C@H](C)NCc2ccc(C(=O)[O-])[nH]2)cc1 ZINC001574655548 962312652 /nfs/dbraw/zinc/31/26/52/962312652.db2.gz LYHUVNSKIJUUMC-JTQLQIEISA-N -1 3 290.388 3.286 20 0 CGADHM C[C@@H]1CC(Sc2cc(-c3nnn[n-]3)ccn2)C[C@@H](C)C1 ZINC001575970278 962430130 /nfs/dbraw/zinc/43/01/30/962430130.db2.gz OUOVINHXOCXKEX-UWVGGRQHSA-N -1 3 289.408 3.179 20 0 CGADHM C[C@@H]1CC(Sc2cc(-c3nn[n-]n3)ccn2)C[C@@H](C)C1 ZINC001575970278 962430145 /nfs/dbraw/zinc/43/01/45/962430145.db2.gz OUOVINHXOCXKEX-UWVGGRQHSA-N -1 3 289.408 3.179 20 0 CGADHM Cc1ccc(Sc2cc(C)c(-c3nnn[n-]3)cn2)cc1 ZINC001581214099 962750907 /nfs/dbraw/zinc/75/09/07/962750907.db2.gz ZYTHNBOVBMCBEW-UHFFFAOYSA-N -1 3 283.360 3.030 20 0 CGADHM Cc1ccc(Sc2cc(C)c(-c3nn[n-]n3)cn2)cc1 ZINC001581214099 962750918 /nfs/dbraw/zinc/75/09/18/962750918.db2.gz ZYTHNBOVBMCBEW-UHFFFAOYSA-N -1 3 283.360 3.030 20 0 CGADHM CCc1ccc(C(=O)NC[C@]2(C)C[C@H]3C[C@H]3C2)c([O-])c1 ZINC001586785131 963136084 /nfs/dbraw/zinc/13/60/84/963136084.db2.gz KHVYSFXMURUHMD-FVCICTRLSA-N -1 3 273.376 3.121 20 0 CGADHM CC(C)Cc1ccc(CNCc2cccc(C(=O)[O-])c2)cn1 ZINC001588905969 963327948 /nfs/dbraw/zinc/32/79/48/963327948.db2.gz CKPCVIXEFKFEQD-UHFFFAOYSA-N -1 3 298.386 3.268 20 0 CGADHM C/C(=C\CN1CCc2cc(C(C)(C)C)ccc2C1)C(=O)[O-] ZINC001588960959 963334521 /nfs/dbraw/zinc/33/45/21/963334521.db2.gz AZODLTATLFNXNS-NTUHNPAUSA-N -1 3 287.403 3.373 20 0 CGADHM C[C@@H](NCCCc1ccccc1)c1ncc(C(=O)[O-])s1 ZINC000314687871 963791419 /nfs/dbraw/zinc/79/14/19/963791419.db2.gz SJCUZFKJNCVVLY-LLVKDONJSA-N -1 3 290.388 3.125 20 0 CGADHM C[C@@H](NCC1(C2CC2)CCC1)c1ncc(C(=O)[O-])s1 ZINC000314740941 963802029 /nfs/dbraw/zinc/80/20/29/963802029.db2.gz BUQLFYVIPRVSES-SECBINFHSA-N -1 3 280.393 3.072 20 0 CGADHM C[C@H](NCCCCC(F)(F)F)c1ncc(C(=O)[O-])s1 ZINC000315016271 963844241 /nfs/dbraw/zinc/84/42/41/963844241.db2.gz SVRHLMQJXRFBKM-ZETCQYMHSA-N -1 3 296.314 3.225 20 0 CGADHM CCC1(CN[C@@H](C)c2ncc(C(=O)[O-])s2)CCCC1 ZINC000315369295 963890249 /nfs/dbraw/zinc/89/02/49/963890249.db2.gz RLTQZWMHHNBNKW-JTQLQIEISA-N -1 3 282.409 3.462 20 0 CGADHM CC(C)C(C)(C)CSCc1cc(-c2nnn[n-]2)ccn1 ZINC001589425357 963988705 /nfs/dbraw/zinc/98/87/05/963988705.db2.gz NVRCAMRTGYLXSB-UHFFFAOYSA-N -1 3 291.424 3.177 20 0 CGADHM CC(C)C(C)(C)CSCc1cc(-c2nn[n-]n2)ccn1 ZINC001589425357 963988712 /nfs/dbraw/zinc/98/87/12/963988712.db2.gz NVRCAMRTGYLXSB-UHFFFAOYSA-N -1 3 291.424 3.177 20 0 CGADHM COc1ccccc1[C@H](C)NCc1ccccc1CC(=O)[O-] ZINC000317020397 964087850 /nfs/dbraw/zinc/08/78/50/964087850.db2.gz QZYUZQXGFRTPBM-ZDUSSCGKSA-N -1 3 299.370 3.173 20 0 CGADHM CN(CCCC(=O)[O-])Cc1ccc(C(F)(F)F)s1 ZINC001604167351 972581299 /nfs/dbraw/zinc/58/12/99/972581299.db2.gz JGISVEFLNGLXCG-UHFFFAOYSA-N -1 3 281.299 3.064 20 0 CGADHM CO[C@H]1CCN(Cc2cccc(C(=O)[O-])c2Cl)[C@H](C)C1 ZINC000394505904 972716504 /nfs/dbraw/zinc/71/65/04/972716504.db2.gz VIYSRMIFNQUERR-PWSUYJOCSA-N -1 3 297.782 3.038 20 0 CGADHM CCc1cccc(CNCc2ccc(C(=O)[O-])s2)c1 ZINC001603975097 974463197 /nfs/dbraw/zinc/46/31/97/974463197.db2.gz FMZWWGUUUZFGCA-UHFFFAOYSA-N -1 3 275.373 3.299 20 0 CGADHM CC[C@H](NCc1ccc(C(=O)[O-])c(C)c1)c1ccncc1 ZINC001595299206 980425354 /nfs/dbraw/zinc/42/53/54/980425354.db2.gz MSYTUIDCTGQNDD-INIZCTEOSA-N -1 3 284.359 3.329 20 0 CGADHM CCC1(c2ccccc2)CN(Cc2ccoc2C(=O)[O-])C1 ZINC001595397197 980963443 /nfs/dbraw/zinc/96/34/43/980963443.db2.gz FSXKKMHGIOVYFK-UHFFFAOYSA-N -1 3 285.343 3.141 20 0 CGADHM CC[C@@H](C)[C@@H](C(=O)[O-])N1Cc2cccc(Cl)c2C1 ZINC001594873769 982195893 /nfs/dbraw/zinc/19/58/93/982195893.db2.gz PGGHWHFMXMHWGQ-RNCFNFMXSA-N -1 3 267.756 3.155 20 0 CGADHM Cc1c(C(=O)[O-])cc(CN2CCC[C@@H]2c2ccccc2)n1C ZINC001599984845 986215099 /nfs/dbraw/zinc/21/50/99/986215099.db2.gz FKJMEDJZTRVXEM-QGZVFWFLSA-N -1 3 298.386 3.369 20 0 CGADHM CC(C)CCOCCNCc1cc(C(=O)[O-])ccc1Cl ZINC001591260566 992169886 /nfs/dbraw/zinc/16/98/86/992169886.db2.gz ZYAPQNIXVJSKRJ-UHFFFAOYSA-N -1 3 299.798 3.191 20 0 CGADHM C[C@H](NC[C@H]1C[C@H]1C1CCCC1)c1ncc(C(=O)[O-])s1 ZINC001593252547 994507829 /nfs/dbraw/zinc/50/78/29/994507829.db2.gz SMIHYYWAGZXHLQ-WCQGTBRESA-N -1 3 294.420 3.318 20 0 CGADHM C[C@H](NCc1c(Cl)cccc1Cl)[C@@H]1C[C@H]1C(=O)[O-] ZINC001593286326 994643822 /nfs/dbraw/zinc/64/38/22/994643822.db2.gz QKPPLKGGDHSLTF-XHNCKOQMSA-N -1 3 288.174 3.192 20 0 CGADHM C[C@@H](NCc1ccsc1)c1cc(C(=O)[O-])cs1 ZINC001593311504 994783664 /nfs/dbraw/zinc/78/36/64/994783664.db2.gz RTNODWVQRMBNTF-MRVPVSSYSA-N -1 3 267.375 3.359 20 0 CGADHM C[C@H](c1ccc(F)cc1F)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001593696871 996152542 /nfs/dbraw/zinc/15/25/42/996152542.db2.gz ANVWRGPSXVVEBB-HOSYDEDBSA-N -1 3 283.318 3.068 20 0 CGADHM C[C@@H](c1nc2cc(Cl)ccc2[nH]1)N(C)CCCC(=O)[O-] ZINC001593733869 996320410 /nfs/dbraw/zinc/32/04/10/996320410.db2.gz NBFYRWKHYIXVFW-VIFPVBQESA-N -1 3 295.770 3.074 20 0 CGADHM CO[C@@H](C)CN(Cc1cc(C(=O)[O-])ccc1Cl)C(C)C ZINC001599038057 999097791 /nfs/dbraw/zinc/09/77/91/999097791.db2.gz WAJKEOBLKBMJAO-NSHDSACASA-N -1 3 299.798 3.284 20 0 CGADHM CO[C@H](CN[C@@H](C)c1cc(C(=O)[O-])co1)c1ccccc1 ZINC001599053368 999204211 /nfs/dbraw/zinc/20/42/11/999204211.db2.gz DPPTYDQQXPWCDT-XHDPSFHLSA-N -1 3 289.331 3.016 20 0 CGADHM C[C@H]1CN(C(=O)c2ccccc2[O-])CCc2ccc(F)cc21 ZINC000650911619 398176668 /nfs/dbraw/zinc/17/66/68/398176668.db2.gz RZKFGNPERXOAJD-LBPRGKRZSA-N -1 3 299.345 3.333 20 0 CGADHM Cc1ccc(NC(=O)c2cnc3n2[C@H](C)CCC3)c([O-])c1 ZINC000650998483 398192087 /nfs/dbraw/zinc/19/20/87/398192087.db2.gz CDKTYMUDBCWDIQ-LLVKDONJSA-N -1 3 285.347 3.047 20 0 CGADHM C[C@H]1CCN(C(=O)c2cccc([O-])c2)CC12CCC2 ZINC000273055392 192031901 /nfs/dbraw/zinc/03/19/01/192031901.db2.gz XKEOJYQELLFCRJ-LBPRGKRZSA-N -1 3 259.349 3.045 20 0 CGADHM CCCC[C@@H](C(=O)Nc1nnc(C(F)(F)F)[n-]1)C(C)C ZINC000621443178 349526874 /nfs/dbraw/zinc/52/68/74/349526874.db2.gz AUDVPVQDNLTNNQ-MRVPVSSYSA-N -1 3 292.305 3.224 20 0 CGADHM CCCC[C@@H](C(=O)Nc1nc(C(F)(F)F)n[n-]1)C(C)C ZINC000621443178 349526876 /nfs/dbraw/zinc/52/68/76/349526876.db2.gz AUDVPVQDNLTNNQ-MRVPVSSYSA-N -1 3 292.305 3.224 20 0 CGADHM O=C([C@H]1C[C@H]1C1CCCC1)N1CCCc2cccc([O-])c21 ZINC000651620926 398259332 /nfs/dbraw/zinc/25/93/32/398259332.db2.gz ZCSDKQUFIXFYNQ-GJZGRUSLSA-N -1 3 285.387 3.498 20 0 CGADHM C[C@H]1CC[C@H](C(=O)N2CCCc3cccc([O-])c32)C1 ZINC000352662817 290625154 /nfs/dbraw/zinc/62/51/54/290625154.db2.gz BNJMCYPZVQBSDC-AAEUAGOBSA-N -1 3 259.349 3.108 20 0 CGADHM O=C(c1cc(F)c[n-]c1=O)N1CCC2(CCCCC2)CC1 ZINC000621827112 349596122 /nfs/dbraw/zinc/59/61/22/349596122.db2.gz KQPFYUXTQFFWEF-UHFFFAOYSA-N -1 3 292.354 3.113 20 0 CGADHM CCC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccccc1F ZINC000590610181 346854591 /nfs/dbraw/zinc/85/45/91/346854591.db2.gz APMWEGYMESZUAF-JSGCOSHPSA-N -1 3 299.411 3.463 20 0 CGADHM CC[C@@H]1CN(C(=O)c2ccc(C(C)C)cc2[O-])C[C@H](C)O1 ZINC000436542533 529380205 /nfs/dbraw/zinc/38/02/05/529380205.db2.gz CYSMTLZGKYTEES-GXTWGEPZSA-N -1 3 291.391 3.155 20 0 CGADHM CC(C)c1ccc(C(=O)NCC[C@H]2CC2(F)F)c([O-])c1 ZINC000622201679 349649373 /nfs/dbraw/zinc/64/93/73/349649373.db2.gz PDURNJXFBUHGCH-NSHDSACASA-N -1 3 283.318 3.291 20 0 CGADHM O=C(NCC[C@@H]1CC1(F)F)c1ccc2c(c1[O-])CCCC2 ZINC000622197153 349646878 /nfs/dbraw/zinc/64/68/78/349646878.db2.gz YYGWSFNPAFVCOE-LLVKDONJSA-N -1 3 295.329 3.046 20 0 CGADHM CC[C@@H](C)n1ncc(NC(=O)c2cc(C)ccc2[O-])c1C ZINC000436594670 529442974 /nfs/dbraw/zinc/44/29/74/529442974.db2.gz JNEHZLLBPVLWCZ-LLVKDONJSA-N -1 3 287.363 3.429 20 0 CGADHM CC[C@@H](CC(F)F)C(=O)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000411453126 529460558 /nfs/dbraw/zinc/46/05/58/529460558.db2.gz JUMKGBAJMJTLMU-JTQLQIEISA-N -1 3 293.317 3.119 20 0 CGADHM CC[C@@H](CNC(=O)c1cccc(C)c1[O-])CC(F)(F)F ZINC000402496012 529487973 /nfs/dbraw/zinc/48/79/73/529487973.db2.gz YBFAWBRCDHBHDV-SNVBAGLBSA-N -1 3 289.297 3.409 20 0 CGADHM CC[C@@H](C[N-]S(=O)(=O)c1ccc(C)o1)c1ccccc1 ZINC000358460326 529491295 /nfs/dbraw/zinc/49/12/95/529491295.db2.gz HPPILMDGGUSPMY-ZDUSSCGKSA-N -1 3 293.388 3.060 20 0 CGADHM CC1(C)CCC[C@H](CC(=O)Nc2ncccc2[O-])C1 ZINC000622504821 349683812 /nfs/dbraw/zinc/68/38/12/349683812.db2.gz BOBLCZRQULGOHQ-LLVKDONJSA-N -1 3 262.353 3.332 20 0 CGADHM C[C@@H]1C[C@@H](C)CN(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000235373591 297225351 /nfs/dbraw/zinc/22/53/51/297225351.db2.gz UVLLOANALPWCIG-NXEZZACHSA-N -1 3 267.756 3.164 20 0 CGADHM CCc1cc(C(=O)NC[C@H](C)CC(F)(F)F)ccc1[O-] ZINC000413992921 529518034 /nfs/dbraw/zinc/51/80/34/529518034.db2.gz RECXDXAUBNBICC-SECBINFHSA-N -1 3 289.297 3.273 20 0 CGADHM O=C(NC1(C2CCC2)CC1)c1cc2c(cc1[O-])CCCC2 ZINC000622741358 349698473 /nfs/dbraw/zinc/69/84/73/349698473.db2.gz AVEJARNAQXSOPK-UHFFFAOYSA-N -1 3 285.387 3.334 20 0 CGADHM CCc1ccc(C(=O)NC2(C3CCC3)CC2)c([O-])c1 ZINC000622741960 349698564 /nfs/dbraw/zinc/69/85/64/349698564.db2.gz VAWGBMFKGFCYPI-UHFFFAOYSA-N -1 3 259.349 3.017 20 0 CGADHM CCc1onc(C)c1[N-]C(=O)c1c(F)cc(C)cc1F ZINC000622833482 349715865 /nfs/dbraw/zinc/71/58/65/349715865.db2.gz CKICOOYBYHNNFJ-UHFFFAOYSA-N -1 3 280.274 3.384 20 0 CGADHM O=C(c1ccccc1[O-])N1CCC[C@H](Nc2ccccc2)C1 ZINC000126055868 187214613 /nfs/dbraw/zinc/21/46/13/187214613.db2.gz CJOOARZNIBOXOP-HNNXBMFYSA-N -1 3 296.370 3.109 20 0 CGADHM O=C(c1ccccc1[O-])N1CC[C@@H](Cc2ccccc2)C1 ZINC000126082269 187215698 /nfs/dbraw/zinc/21/56/98/187215698.db2.gz JECSSEPCBALDCW-HNNXBMFYSA-N -1 3 281.355 3.097 20 0 CGADHM CCc1ccc(C(=O)N(C)[C@@H]2CC[C@@H](C)C2)c([O-])c1 ZINC000436877053 529593017 /nfs/dbraw/zinc/59/30/17/529593017.db2.gz MSEQVKXXWHSJPT-DGCLKSJQSA-N -1 3 261.365 3.215 20 0 CGADHM CCc1ccc(C(=O)N(CC)CCC2CC2)c([O-])c1 ZINC000436842261 529593232 /nfs/dbraw/zinc/59/32/32/529593232.db2.gz UUAFTSCSSNRXEJ-UHFFFAOYSA-N -1 3 261.365 3.217 20 0 CGADHM CC1(C2(NC(=O)c3cc([O-])cc(C(F)(F)F)c3)CC2)CC1 ZINC000623029410 349753365 /nfs/dbraw/zinc/75/33/65/349753365.db2.gz IRMXCJXGNWTQHW-UHFFFAOYSA-N -1 3 299.292 3.474 20 0 CGADHM CCn1nccc1/C=C/c1ccc2c(OC)ccc([O-])c2n1 ZINC000436945718 529602900 /nfs/dbraw/zinc/60/29/00/529602900.db2.gz UYXWGDHHJZANGJ-GQCTYLIASA-N -1 3 295.342 3.336 20 0 CGADHM CCN(CCC(F)(F)F)C(=O)c1cc(C)ccc1[O-] ZINC000623060329 349756702 /nfs/dbraw/zinc/75/67/02/349756702.db2.gz CTKZNRSYKUXTLM-UHFFFAOYSA-N -1 3 275.270 3.115 20 0 CGADHM CC[C@H](C)CCC(=O)Nc1nnc(-c2ccc(C)o2)[n-]1 ZINC000354907438 529647937 /nfs/dbraw/zinc/64/79/37/529647937.db2.gz GJNYDHXMKBLZEG-VIFPVBQESA-N -1 3 276.340 3.138 20 0 CGADHM CC[C@H](C)CCC(=O)Nc1nc(-c2ccc(C)o2)n[n-]1 ZINC000354907438 529647940 /nfs/dbraw/zinc/64/79/40/529647940.db2.gz GJNYDHXMKBLZEG-VIFPVBQESA-N -1 3 276.340 3.138 20 0 CGADHM CC[C@H](C)CCC(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC000354907438 529647942 /nfs/dbraw/zinc/64/79/42/529647942.db2.gz GJNYDHXMKBLZEG-VIFPVBQESA-N -1 3 276.340 3.138 20 0 CGADHM CC[C@@H](NC(=O)c1ccc(C(C)C)cc1[O-])[C@H]1CCCO1 ZINC000436668240 529668081 /nfs/dbraw/zinc/66/80/81/529668081.db2.gz BDGACPCAILPOMO-GDBMZVCRSA-N -1 3 291.391 3.203 20 0 CGADHM COc1cccc(C(=O)N[C@@H]2CCc3c2cccc3C)c1[O-] ZINC000591464805 346925102 /nfs/dbraw/zinc/92/51/02/346925102.db2.gz IOYACQMDEGTWGE-OAHLLOKOSA-N -1 3 297.354 3.127 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2C[C@H](C)C[C@@H]2CC)c1 ZINC000436591000 529691048 /nfs/dbraw/zinc/69/10/48/529691048.db2.gz VFPKICXCOPZISI-YPMHNXCESA-N -1 3 261.365 3.215 20 0 CGADHM CCC[C@H](NC(=O)c1cc(C)ccc1[O-])c1ccccn1 ZINC000591673747 346932975 /nfs/dbraw/zinc/93/29/75/346932975.db2.gz XWRVJGGNMCAIRR-HNNXBMFYSA-N -1 3 284.359 3.367 20 0 CGADHM CO[C@@H]1CCN(Cc2cccc([O-])c2Cl)CC1(C)C ZINC000295010228 199297907 /nfs/dbraw/zinc/29/79/07/199297907.db2.gz MACQMLIBVKDZSI-CYBMUJFWSA-N -1 3 283.799 3.293 20 0 CGADHM CC1(C)CCN(Cc2c(F)ccc([O-])c2F)CC1 ZINC000351310043 219090736 /nfs/dbraw/zinc/09/07/36/219090736.db2.gz ZBTSQLCSOFDEGC-UHFFFAOYSA-N -1 3 255.308 3.292 20 0 CGADHM Cc1cccc([O-])c1C(=O)N(C)[C@H]1CCc2ccccc21 ZINC000623698390 349868860 /nfs/dbraw/zinc/86/88/60/349868860.db2.gz CPUUSQCIMRSZNE-HNNXBMFYSA-N -1 3 281.355 3.460 20 0 CGADHM CC[C@H](c1ccc(F)cc1F)N1CCC(C(=O)[O-])CC1 ZINC000003759388 344859554 /nfs/dbraw/zinc/85/95/54/344859554.db2.gz MVWNOSIYOHISNT-CQSZACIVSA-N -1 3 283.318 3.213 20 0 CGADHM CC(C)COc1ccc(C(=O)Nc2ncccc2[O-])cc1 ZINC000022263176 344895154 /nfs/dbraw/zinc/89/51/54/344895154.db2.gz ZUMHJHFCPNLFHM-UHFFFAOYSA-N -1 3 286.331 3.074 20 0 CGADHM O=C(NCCCC1CCCCC1)c1ccc2n[n-]nc2c1 ZINC000031922949 344929036 /nfs/dbraw/zinc/92/90/36/344929036.db2.gz JTKPYEPXOOMUGM-UHFFFAOYSA-N -1 3 286.379 3.048 20 0 CGADHM Cc1cc([N-]C(=O)c2cc3cccc(F)c3o2)no1 ZINC000041332404 344968984 /nfs/dbraw/zinc/96/89/84/344968984.db2.gz FLJSJQHLFKACLK-UHFFFAOYSA-N -1 3 260.224 3.121 20 0 CGADHM O=C([O-])CCC1CCN(c2ccnc3ccccc32)CC1 ZINC000050924071 345085614 /nfs/dbraw/zinc/08/56/14/345085614.db2.gz AKRTWGFCJPJOOP-UHFFFAOYSA-N -1 3 284.359 3.316 20 0 CGADHM CC[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000057102594 345173613 /nfs/dbraw/zinc/17/36/13/345173613.db2.gz UCSBICPVQZYLIT-HTQZYQBOSA-N -1 3 281.830 3.114 20 0 CGADHM CCCC(C)(C)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000065268707 345270277 /nfs/dbraw/zinc/27/02/77/345270277.db2.gz XMBRPFLNJBYYKV-UHFFFAOYSA-N -1 3 293.791 3.336 20 0 CGADHM C[C@H](CN(C)C(=O)c1ccccc1[O-])c1ccccc1 ZINC000066460078 345295449 /nfs/dbraw/zinc/29/54/49/345295449.db2.gz ODDPLHPLSYQGLB-CYBMUJFWSA-N -1 3 269.344 3.268 20 0 CGADHM O=c1cc(CSc2ccc(F)c(Cl)c2)occ1[O-] ZINC000072966911 345425230 /nfs/dbraw/zinc/42/52/30/345425230.db2.gz UYIIZGSTNDHOEP-UHFFFAOYSA-N -1 3 286.711 3.430 20 0 CGADHM Cc1cc(Cc2nc(=O)c3c4ccccc4sc3[n-]2)no1 ZINC000073157650 345433104 /nfs/dbraw/zinc/43/31/04/345433104.db2.gz RJYLLQQKKHATTI-UHFFFAOYSA-N -1 3 297.339 3.025 20 0 CGADHM COCc1cccc(C(=O)Nc2cc(Cl)ccc2[O-])c1 ZINC000070888106 345397948 /nfs/dbraw/zinc/39/79/48/345397948.db2.gz CQFMONTYQYPLGO-UHFFFAOYSA-N -1 3 291.734 3.444 20 0 CGADHM CCc1ccc(CC)c(NC(=O)c2ccc3n[n-]nc3c2)c1 ZINC000075366008 345503087 /nfs/dbraw/zinc/50/30/87/345503087.db2.gz MNDMSJVTJSCLJI-UHFFFAOYSA-N -1 3 294.358 3.335 20 0 CGADHM Cc1oc(CN2CCC[C@@H]3CCC[C@@H]32)cc1C(=O)[O-] ZINC000087777764 345756730 /nfs/dbraw/zinc/75/67/30/345756730.db2.gz OGUBCRJQXVQPHZ-FZMZJTMJSA-N -1 3 263.337 3.051 20 0 CGADHM CCC[C@@H](C)C(=O)Nc1nnc(-c2c(F)cccc2F)[n-]1 ZINC000081730976 345717871 /nfs/dbraw/zinc/71/78/71/345717871.db2.gz RKKACVQUZAYKPY-MRVPVSSYSA-N -1 3 294.305 3.125 20 0 CGADHM CCC[C@@H](C)C(=O)Nc1nc(-c2c(F)cccc2F)n[n-]1 ZINC000081730976 345717873 /nfs/dbraw/zinc/71/78/73/345717873.db2.gz RKKACVQUZAYKPY-MRVPVSSYSA-N -1 3 294.305 3.125 20 0 CGADHM CCC[C@@H](C)C(=O)Nc1n[n-]c(-c2c(F)cccc2F)n1 ZINC000081730976 345717878 /nfs/dbraw/zinc/71/78/78/345717878.db2.gz RKKACVQUZAYKPY-MRVPVSSYSA-N -1 3 294.305 3.125 20 0 CGADHM Cc1ccc(CN(C)[C@H](C)c2ccc(C(=O)[O-])o2)cc1 ZINC000091780263 345823622 /nfs/dbraw/zinc/82/36/22/345823622.db2.gz HUYBZVZYSPWEJY-GFCCVEGCSA-N -1 3 273.332 3.479 20 0 CGADHM CC1(C)Cc2ccc(C(=O)Nc3cccc(O)c3)c([O-])c2O1 ZINC000093900467 345892245 /nfs/dbraw/zinc/89/22/45/345892245.db2.gz RBRCCTUDTSXRKU-UHFFFAOYSA-N -1 3 299.326 3.064 20 0 CGADHM CCc1cccc(C(=O)N(C)[C@H](C)c2ccco2)c1[O-] ZINC000093939817 345893099 /nfs/dbraw/zinc/89/30/99/345893099.db2.gz IPSCUOCXTALRGU-LLVKDONJSA-N -1 3 273.332 3.381 20 0 CGADHM CC(C)(C)CCC[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000096744103 345906372 /nfs/dbraw/zinc/90/63/72/345906372.db2.gz NMRZZQFWPHJOAZ-UHFFFAOYSA-N -1 3 291.363 3.069 20 0 CGADHM CC(C)Sc1ccc(CN2CCC(C(=O)[O-])CC2)cc1 ZINC000098150107 345910580 /nfs/dbraw/zinc/91/05/80/345910580.db2.gz GLTFOCNMKVGEFU-UHFFFAOYSA-N -1 3 293.432 3.484 20 0 CGADHM CCOc1ccc([C@H](C)NCc2nc(C)ccc2[O-])cc1 ZINC000112716460 345958430 /nfs/dbraw/zinc/95/84/30/345958430.db2.gz DMDNUCJYGHHBTI-ZDUSSCGKSA-N -1 3 286.375 3.345 20 0 CGADHM Cc1ccccc1CN(C)Cc1ccsc1C(=O)[O-] ZINC000110955708 345946788 /nfs/dbraw/zinc/94/67/88/345946788.db2.gz OBUKPYGIMJRARV-UHFFFAOYSA-N -1 3 275.373 3.387 20 0 CGADHM CC(C)(C)CCCNC(=O)NCc1ccc([O-])c(F)c1 ZINC000120725909 345998763 /nfs/dbraw/zinc/99/87/63/345998763.db2.gz RTMCOEGLVNEXOA-UHFFFAOYSA-N -1 3 282.359 3.157 20 0 CGADHM Cc1nc(CNC[C@@H]2CCCC[C@@H]2C)sc1C(=O)[O-] ZINC000426676722 293273978 /nfs/dbraw/zinc/27/39/78/293273978.db2.gz GAFWUBHCLQQCJW-ONGXEEELSA-N -1 3 282.409 3.066 20 0 CGADHM Cc1ccc2cc(C(=O)NCc3ccc([O-])c(F)c3)[nH]c2c1 ZINC000132691927 346073103 /nfs/dbraw/zinc/07/31/03/346073103.db2.gz FUXBUGKDXKNTRW-UHFFFAOYSA-N -1 3 298.317 3.251 20 0 CGADHM CC(C)=C[C@@H]1[C@H](C(=O)NCc2ccc([O-])c(F)c2)C1(C)C ZINC000133137481 346075733 /nfs/dbraw/zinc/07/57/33/346075733.db2.gz COPJXPQSUHUVSK-IUODEOHRSA-N -1 3 291.366 3.386 20 0 CGADHM CC[C@H](C(=O)NCc1ccc([O-])c(F)c1)c1ccccc1 ZINC000133205764 346076443 /nfs/dbraw/zinc/07/64/43/346076443.db2.gz DGLTYFAGKFFCKQ-AWEZNQCLSA-N -1 3 287.334 3.341 20 0 CGADHM CC(=O)c1cccc(NC(=O)c2cccc(C)c2)c1[O-] ZINC000147305009 346125774 /nfs/dbraw/zinc/12/57/74/346125774.db2.gz CWUHZUWTCFAJLU-UHFFFAOYSA-N -1 3 269.300 3.156 20 0 CGADHM [O-]c1ccc(CNc2nc3cc(F)ccc3o2)cc1F ZINC000150923288 346134164 /nfs/dbraw/zinc/13/41/64/346134164.db2.gz KYJYTXSVYIVHTH-UHFFFAOYSA-N -1 3 276.242 3.424 20 0 CGADHM Cc1cccc([C@H](C)C(=O)Nc2ccccc2[O-])c1 ZINC000154906886 346151074 /nfs/dbraw/zinc/15/10/74/346151074.db2.gz DWYVNUJWKJKLHB-LBPRGKRZSA-N -1 3 255.317 3.443 20 0 CGADHM C=Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000164174855 346182345 /nfs/dbraw/zinc/18/23/45/346182345.db2.gz KMYYFUMDVXQSJR-UHFFFAOYSA-N -1 3 277.320 3.270 20 0 CGADHM Cc1ccc([C@H](C)N(C)C(=O)c2cccc3[n-]nnc32)cc1 ZINC000189790986 346263713 /nfs/dbraw/zinc/26/37/13/346263713.db2.gz XXEHXOADDOKUBZ-LBPRGKRZSA-N -1 3 294.358 3.100 20 0 CGADHM Cc1ccc([C@H](C)N(C)C(=O)c2cccc3nn[n-]c32)cc1 ZINC000189790986 346263715 /nfs/dbraw/zinc/26/37/15/346263715.db2.gz XXEHXOADDOKUBZ-LBPRGKRZSA-N -1 3 294.358 3.100 20 0 CGADHM Cc1ccc([C@H](C)N(C)C(=O)c2cccc3n[n-]nc32)cc1 ZINC000189790986 346263716 /nfs/dbraw/zinc/26/37/16/346263716.db2.gz XXEHXOADDOKUBZ-LBPRGKRZSA-N -1 3 294.358 3.100 20 0 CGADHM CSC[C@@H]1CCCN1Cc1cc(C(=O)[O-])sc1C ZINC000400061677 346588783 /nfs/dbraw/zinc/58/87/83/346588783.db2.gz ZTQPBYPRTHBDAZ-NSHDSACASA-N -1 3 285.434 3.082 20 0 CGADHM C[C@H]1CC[C@@]2(CCN(Cc3csc(C(=O)[O-])c3)C2)C1 ZINC000584637915 346701660 /nfs/dbraw/zinc/70/16/60/346701660.db2.gz FXHGYNYRRZCRAH-XHDPSFHLSA-N -1 3 279.405 3.458 20 0 CGADHM C[C@H](CNCc1cccc([O-])c1Cl)C(=O)OC(C)(C)C ZINC000594513660 347184976 /nfs/dbraw/zinc/18/49/76/347184976.db2.gz FDNPEFHDJJEUDU-SNVBAGLBSA-N -1 3 299.798 3.113 20 0 CGADHM C[C@H]1CCC[C@@H](CC(=O)N=c2cc(-c3cccnc3)[n-][nH]2)C1 ZINC000339280972 215061956 /nfs/dbraw/zinc/06/19/56/215061956.db2.gz HZKSABIATJTBCM-QWHCGFSZSA-N -1 3 298.390 3.049 20 0 CGADHM C[C@@]1(CNCc2cccc([O-])c2Cl)CCCC[C@@H]1O ZINC000339289982 215069734 /nfs/dbraw/zinc/06/97/34/215069734.db2.gz FQNDFUBDOZTPGU-ZFWWWQNUSA-N -1 3 283.799 3.076 20 0 CGADHM CCc1cc(=O)[n-]c(CSC[C@@H](OC)C2CCCC2)n1 ZINC000596347326 347426932 /nfs/dbraw/zinc/42/69/32/347426932.db2.gz WPJOXHVGEMIEQI-CYBMUJFWSA-N -1 3 296.436 3.183 20 0 CGADHM CS[C@@H](C)CC(=O)Nc1ccc([O-])cc1Cl ZINC000597857041 347595874 /nfs/dbraw/zinc/59/58/74/347595874.db2.gz JUYSNUTVIUWBIX-ZETCQYMHSA-N -1 3 259.758 3.126 20 0 CGADHM Cc1ccc(C(=O)N2CCC3(CC3)CC2)c([O-])c1C ZINC000599114551 347717257 /nfs/dbraw/zinc/71/72/57/347717257.db2.gz LQWDPVHXUXPTDL-UHFFFAOYSA-N -1 3 259.349 3.025 20 0 CGADHM Cc1nc2cc(NC(=O)c3cccc(C)c3[O-])ccc2n1C ZINC000608487882 348312745 /nfs/dbraw/zinc/31/27/45/348312745.db2.gz BUCDOZHEMINCDE-UHFFFAOYSA-N -1 3 295.342 3.148 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)c2cccnc2C)c1[O-] ZINC000175836788 335207704 /nfs/dbraw/zinc/20/77/04/335207704.db2.gz ZPNVZQLREJWNLN-UHFFFAOYSA-N -1 3 276.723 3.310 20 0 CGADHM CC[C@@]1(C)CCN(C(=O)c2cc(SC)ccc2[O-])C1 ZINC000612323570 348510308 /nfs/dbraw/zinc/51/03/08/348510308.db2.gz VILOABXTHRWVEK-HNNXBMFYSA-N -1 3 279.405 3.376 20 0 CGADHM CSc1ccc([O-])c(C(=O)NC[C@@H]2CCCCS2)c1 ZINC000613431807 348602825 /nfs/dbraw/zinc/60/28/25/348602825.db2.gz FWMSXEALKHPNAA-NSHDSACASA-N -1 3 297.445 3.130 20 0 CGADHM O=C(Nc1cc(Br)ccc1[O-])[C@H]1C[C@H]2C[C@H]2C1 ZINC000613028786 348560087 /nfs/dbraw/zinc/56/00/87/348560087.db2.gz RFIHJLYGTBFVED-BRPSZJMVSA-N -1 3 296.164 3.139 20 0 CGADHM Cc1ccc([O-])c(NC(=O)C2CCC3(CC3)CC2)n1 ZINC000614163914 348653772 /nfs/dbraw/zinc/65/37/72/348653772.db2.gz IFEBYSRZLBOMBP-UHFFFAOYSA-N -1 3 260.337 3.005 20 0 CGADHM COc1ccc(NC(=O)[C@@]2(C)CC=C(C)CC2)c([O-])c1 ZINC000613833206 348634135 /nfs/dbraw/zinc/63/41/35/348634135.db2.gz XJMUFPIBOHTPIP-INIZCTEOSA-N -1 3 275.348 3.476 20 0 CGADHM [O-]c1cc(F)cc(CN2CCc3cccc(F)c3C2)c1 ZINC000351987804 219276119 /nfs/dbraw/zinc/27/61/19/219276119.db2.gz AUBLHGFSKWXJNA-UHFFFAOYSA-N -1 3 275.298 3.229 20 0 CGADHM CCCC(C)(C)CC(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000615133541 348716487 /nfs/dbraw/zinc/71/64/87/348716487.db2.gz GPHVHFMKTRWRIP-UHFFFAOYSA-N -1 3 275.352 3.423 20 0 CGADHM CCCc1nc(C)c(C(=O)Nc2nc(C)ccc2[O-])s1 ZINC000273474667 192164833 /nfs/dbraw/zinc/16/48/33/192164833.db2.gz KENAPAFMCKVRAN-UHFFFAOYSA-N -1 3 291.376 3.065 20 0 CGADHM O=C(Nc1c([O-])cccc1Cl)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000615322162 348731950 /nfs/dbraw/zinc/73/19/50/348731950.db2.gz NRNZQABVICJCJP-IVZWLZJFSA-N -1 3 265.740 3.420 20 0 CGADHM Cc1ccn([C@@H](C)CC(=O)Nc2c([O-])cccc2Cl)n1 ZINC000615322008 348732051 /nfs/dbraw/zinc/73/20/51/348732051.db2.gz MZWSVCFSMTVSCW-JTQLQIEISA-N -1 3 293.754 3.140 20 0 CGADHM CO[C@H]1CC[C@@H](C(=O)Nc2ccc(C(C)(C)C)cc2[O-])C1 ZINC000614489236 348680141 /nfs/dbraw/zinc/68/01/41/348680141.db2.gz SGUKXBKUCIFCCW-YPMHNXCESA-N -1 3 291.391 3.443 20 0 CGADHM CCn1cnc(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])c1 ZINC000614489298 348680547 /nfs/dbraw/zinc/68/05/47/348680547.db2.gz UEMFQGOMBIDHJA-UHFFFAOYSA-N -1 3 287.363 3.158 20 0 CGADHM Cc1ccc(C(=O)NCc2ccc([C@@H]3C[C@@H]3C)o2)c([O-])c1 ZINC000614752610 348692359 /nfs/dbraw/zinc/69/23/59/348692359.db2.gz DBRQYRZJQQXWNO-SMDDNHRTSA-N -1 3 285.343 3.347 20 0 CGADHM CSc1ccc([O-])c(C(=O)N2CCC[C@H](C3CC3)C2)c1 ZINC000614930133 348700387 /nfs/dbraw/zinc/70/03/87/348700387.db2.gz XDGLYNLGEGBCJC-LBPRGKRZSA-N -1 3 291.416 3.376 20 0 CGADHM CC[C@H](C)CCC(=O)NCc1ccc([O-])c2ncccc12 ZINC000616022350 348782703 /nfs/dbraw/zinc/78/27/03/348782703.db2.gz FMDDQZCPLJZNEC-LBPRGKRZSA-N -1 3 286.375 3.383 20 0 CGADHM CSc1ccc([O-])c(C(=O)N2CC(C)(C)C[C@H]2C)c1 ZINC000616293270 348807747 /nfs/dbraw/zinc/80/77/47/348807747.db2.gz GOMKFGCXOKQPHC-SNVBAGLBSA-N -1 3 279.405 3.375 20 0 CGADHM O=C(c1ccc2[nH][n-]c(=O)c2c1)N1CCCC[C@@H]1C1CCC1 ZINC000616505213 348827721 /nfs/dbraw/zinc/82/77/21/348827721.db2.gz JIIOSIOVHQPGLW-OAHLLOKOSA-N -1 3 299.374 3.063 20 0 CGADHM CSc1ccc([O-])c(C(=O)N2C[C@@H]3CCCC[C@@H]32)c1 ZINC000616722748 348872587 /nfs/dbraw/zinc/87/25/87/348872587.db2.gz LWPVJJCKFQNYQS-GWCFXTLKSA-N -1 3 277.389 3.129 20 0 CGADHM Cc1ccc(C(=O)N2CCOc3ccccc3C2)c([O-])c1C ZINC000617227772 348937898 /nfs/dbraw/zinc/93/78/98/348937898.db2.gz KAVKOBRIKXZDNL-UHFFFAOYSA-N -1 3 297.354 3.044 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-][C@H](C)c2cccc(Cl)c2)o1 ZINC000358465590 233137887 /nfs/dbraw/zinc/13/78/87/233137887.db2.gz TYQRPUBJWUBVSA-SNVBAGLBSA-N -1 3 299.779 3.281 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2coc(-c3ccccc3)n2)n1 ZINC000352026953 219292710 /nfs/dbraw/zinc/29/27/10/219292710.db2.gz LWUSVXNECCFQIL-BQYQJAHWSA-N -1 3 279.299 3.316 20 0 CGADHM CC(C)c1ccc(C(=O)NC[C@@H](C)C2CC2)c([O-])c1 ZINC000619653159 349266941 /nfs/dbraw/zinc/26/69/41/349266941.db2.gz JVOYALFWGAYKIE-LLVKDONJSA-N -1 3 261.365 3.292 20 0 CGADHM Cc1ccc(C(=O)N2CCC[C@H](C3CCC3)C2)c([O-])c1 ZINC000620206669 349338631 /nfs/dbraw/zinc/33/86/31/349338631.db2.gz QRTIQJUGPHRAOF-AWEZNQCLSA-N -1 3 273.376 3.353 20 0 CGADHM CCCCCN(CCCCC)C(=O)c1cc(=O)[n-]cn1 ZINC000624243989 350010049 /nfs/dbraw/zinc/01/00/49/350010049.db2.gz IUKFDMOZBUBLEZ-UHFFFAOYSA-N -1 3 279.384 3.005 20 0 CGADHM O=C(c1csc(=O)[n-]1)N1CCC[C@@H](C2CCCCC2)C1 ZINC000620689610 349412462 /nfs/dbraw/zinc/41/24/62/349412462.db2.gz PVYVTPOOYHEKPK-GFCCVEGCSA-N -1 3 294.420 3.281 20 0 CGADHM O=C([N-]c1nnc(C2CC2)s1)c1coc(C(F)F)c1 ZINC000624368451 350033947 /nfs/dbraw/zinc/03/39/47/350033947.db2.gz OOABBYPVLGXLEL-UHFFFAOYSA-N -1 3 285.275 3.198 20 0 CGADHM CCO[C@@H](c1nc(-c2ccc([O-])cc2)no1)C(C)C ZINC000624555414 350064183 /nfs/dbraw/zinc/06/41/83/350064183.db2.gz FOMKDANGEQFSEY-GFCCVEGCSA-N -1 3 262.309 3.176 20 0 CGADHM Cc1ccc(C(=O)N(Cc2ccncc2)C2CC2)c([O-])c1C ZINC000271228717 191015673 /nfs/dbraw/zinc/01/56/73/191015673.db2.gz IAJBLZXBPHBORN-UHFFFAOYSA-N -1 3 296.370 3.209 20 0 CGADHM CCC1(C)CCN(C(=O)c2c(C)cccc2[O-])CC1 ZINC000625042155 350122276 /nfs/dbraw/zinc/12/22/76/350122276.db2.gz BLVHYADLPDJLND-UHFFFAOYSA-N -1 3 261.365 3.353 20 0 CGADHM Cc1cccc([O-])c1C(=O)NC1CC(c2ccccc2)C1 ZINC000625229140 350144566 /nfs/dbraw/zinc/14/45/66/350144566.db2.gz AFLVXLZDJFVHFZ-UHFFFAOYSA-N -1 3 281.355 3.377 20 0 CGADHM [O-]c1ccc(Cl)c(CN2CCC[C@H](OC(F)F)C2)c1 ZINC000625307469 350156742 /nfs/dbraw/zinc/15/67/42/350156742.db2.gz DWNZAFVTTIFBDE-NSHDSACASA-N -1 3 291.725 3.249 20 0 CGADHM CO[C@H]1CCN(Cc2cc([O-])ccc2Cl)CC1(C)C ZINC000625456205 350174480 /nfs/dbraw/zinc/17/44/80/350174480.db2.gz ACMLWVXTPJVIFR-AWEZNQCLSA-N -1 3 283.799 3.293 20 0 CGADHM C[C@H]1COC2(CCC2)CN1Cc1cc([O-])ccc1Cl ZINC000625535839 350182519 /nfs/dbraw/zinc/18/25/19/350182519.db2.gz XPMSTZOOZXRZTI-NSHDSACASA-N -1 3 281.783 3.189 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CCCN(C)c2ccccc21 ZINC000625729751 350205933 /nfs/dbraw/zinc/20/59/33/350205933.db2.gz YCYPDBFEFWIAPB-UHFFFAOYSA-N -1 3 296.370 3.187 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CCC(C(F)(F)F)CC1 ZINC000625897074 350225261 /nfs/dbraw/zinc/22/52/61/350225261.db2.gz MSUXPQCYIVWAGP-UHFFFAOYSA-N -1 3 287.281 3.115 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CC[C@H](CC(C)C)C1 ZINC000625948493 350235281 /nfs/dbraw/zinc/23/52/81/350235281.db2.gz NTOSRQRQZNDQJY-CYBMUJFWSA-N -1 3 261.365 3.209 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CCS[C@H]2CCCC[C@@H]21 ZINC000626031379 350251906 /nfs/dbraw/zinc/25/19/06/350251906.db2.gz BITSXULZRNQSRW-JSGCOSHPSA-N -1 3 291.416 3.201 20 0 CGADHM CCc1cnccc1[C@@H](C)NC(=O)c1c(C)cccc1[O-] ZINC000626356745 350298765 /nfs/dbraw/zinc/29/87/65/350298765.db2.gz SOLUKYKUSOJANY-GFCCVEGCSA-N -1 3 284.359 3.149 20 0 CGADHM Cc1cccc([O-])c1C(=O)N(C)C[C@@H](C)c1nccs1 ZINC000626441736 350306879 /nfs/dbraw/zinc/30/68/79/350306879.db2.gz AOACAJSRHXRHLM-LLVKDONJSA-N -1 3 290.388 3.033 20 0 CGADHM COc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccsc2)c([O-])c1 ZINC000626608118 350323284 /nfs/dbraw/zinc/32/32/84/350323284.db2.gz LBYGEHSMUKEGBI-NWDGAFQWSA-N -1 3 289.356 3.205 20 0 CGADHM Cc1cc(C)c2c(c1)N(C(=O)c1c(C)cccc1[O-])CCO2 ZINC000628003836 350390067 /nfs/dbraw/zinc/39/00/67/350390067.db2.gz UGGAQZVXFSOLQO-UHFFFAOYSA-N -1 3 297.354 3.357 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CC(C)(c2ccccc2)C1 ZINC000628193405 350434258 /nfs/dbraw/zinc/43/42/58/350434258.db2.gz HYMQHMIFUZXWLX-UHFFFAOYSA-N -1 3 281.355 3.114 20 0 CGADHM CCc1cccc(C(=O)N2Cc3cccc(OC)c3C2)c1[O-] ZINC000629113575 350653638 /nfs/dbraw/zinc/65/36/38/350653638.db2.gz RGHYUVCDWPAJGL-UHFFFAOYSA-N -1 3 297.354 3.119 20 0 CGADHM CCC[C@H](C)CCCSc1nc2nncc-2c(O)[n-]1 ZINC000629357327 350675873 /nfs/dbraw/zinc/67/58/73/350675873.db2.gz VYQWOTRQTSTTJZ-VIFPVBQESA-N -1 3 280.397 3.367 20 0 CGADHM O=C([O-])[C@@H]1CCN(Cc2cccc(Cl)c2)[C@@H]2CCC[C@H]21 ZINC000629374600 350682352 /nfs/dbraw/zinc/68/23/52/350682352.db2.gz XUPOWERYJKKSSD-RRFJBIMHSA-N -1 3 293.794 3.415 20 0 CGADHM C/C=C/C[C@H]1CCCN(Cc2occc2C(=O)[O-])C1 ZINC000629375337 350683593 /nfs/dbraw/zinc/68/35/93/350683593.db2.gz DFRZSYAIJDWUNV-JDGPPOGSSA-N -1 3 263.337 3.156 20 0 CGADHM O=C([O-])CC[C@H]1CCCCN1Cc1cc(O)ccc1Cl ZINC000629490189 350696112 /nfs/dbraw/zinc/69/61/12/350696112.db2.gz KEMBILZNTUGPKI-GFCCVEGCSA-N -1 3 297.782 3.265 20 0 CGADHM O=C(c1cc([O-])ccc1Cl)N1CCCC2(CC2)CC1 ZINC000629646703 350729279 /nfs/dbraw/zinc/72/92/79/350729279.db2.gz PTUDWDWEIPYHDM-UHFFFAOYSA-N -1 3 279.767 3.452 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CC[C@@H](c3ccc(O)cc3)C2)c1 ZINC000629670754 350734108 /nfs/dbraw/zinc/73/41/08/350734108.db2.gz XINHQOKGNNZSJQ-CQSZACIVSA-N -1 3 297.354 3.036 20 0 CGADHM CCc1cc2c([n-]c([C@@H]3CC[C@@H](C)O3)nc2=O)s1 ZINC000630384735 350830327 /nfs/dbraw/zinc/83/03/27/350830327.db2.gz GQEIFMJFIHUJGT-XCBNKYQSSA-N -1 3 264.350 3.199 20 0 CGADHM CC[C@H](CNCc1c(F)ccc(F)c1Cl)CC(=O)[O-] ZINC000630452796 350842273 /nfs/dbraw/zinc/84/22/73/350842273.db2.gz OVMCHYYBASBPOF-QMMMGPOBSA-N -1 3 291.725 3.209 20 0 CGADHM CC[C@@H](C)[C@@H](NCc1c(F)ccc(F)c1Cl)C(=O)[O-] ZINC000630480410 350847753 /nfs/dbraw/zinc/84/77/53/350847753.db2.gz YTQKLRPQWXEQQD-JMCQJSRRSA-N -1 3 291.725 3.207 20 0 CGADHM COCc1ccc(COc2ccc3c([O-])coc3c2C)cc1 ZINC000634560399 351514260 /nfs/dbraw/zinc/51/42/60/351514260.db2.gz HFAZHAFYYYWKPU-UHFFFAOYSA-N -1 3 298.338 3.296 20 0 CGADHM O=C([O-])c1coc(CN2CCC3(CCSCC3)CC2)c1 ZINC000634696069 351574866 /nfs/dbraw/zinc/57/48/66/351574866.db2.gz IOVHNOYKTNEAFC-UHFFFAOYSA-N -1 3 295.404 3.087 20 0 CGADHM CC(C)(C)c1noc(-c2c[n-]nc2-c2ccco2)n1 ZINC000634665739 351556289 /nfs/dbraw/zinc/55/62/89/351556289.db2.gz WFQAPGGBSWTPSH-UHFFFAOYSA-N -1 3 258.281 3.017 20 0 CGADHM CCc1cc(C(=O)Nc2cc(C3CC3)n(CC)n2)ccc1[O-] ZINC000291719329 198069590 /nfs/dbraw/zinc/06/95/90/198069590.db2.gz BAISXHVVYMPPGC-UHFFFAOYSA-N -1 3 299.374 3.301 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)Nc1ccc(F)c(F)c1 ZINC000291924913 198107789 /nfs/dbraw/zinc/10/77/89/198107789.db2.gz SAROGYDZIGZNIS-QMMMGPOBSA-N -1 3 258.268 3.064 20 0 CGADHM C[C@@H](CC(=O)[N-]OC/C=C/Cl)c1ccc(F)cc1F ZINC000291976618 198123006 /nfs/dbraw/zinc/12/30/06/198123006.db2.gz YVOLKBXOPKITGL-MAHOQKISSA-N -1 3 289.709 3.259 20 0 CGADHM O=C([O-])c1ccccc1C1CCN(C/C=C/Cl)CC1 ZINC000363869215 234006403 /nfs/dbraw/zinc/00/64/03/234006403.db2.gz XYEAFNJQDPGGEC-FPYGCLRLSA-N -1 3 279.767 3.317 20 0 CGADHM CCc1onc(C)c1NC(=O)c1ccc([O-])c(CC)c1 ZINC000292035574 198140319 /nfs/dbraw/zinc/14/03/19/198140319.db2.gz DDRVFMXVFJCNMG-UHFFFAOYSA-N -1 3 274.320 3.066 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CC3(CCC3)C[C@@H]2C)c1 ZINC000365317039 234096311 /nfs/dbraw/zinc/09/63/11/234096311.db2.gz HLCHZIKTYJFZIC-LBPRGKRZSA-N -1 3 259.349 3.105 20 0 CGADHM O=C(c1cc([O-])c2ccccc2c1)N1CC[C@H](C2CC2)C1 ZINC000369099955 234356923 /nfs/dbraw/zinc/35/69/23/234356923.db2.gz LISWJTXKKRNBKO-AWEZNQCLSA-N -1 3 281.355 3.418 20 0 CGADHM CCCC(CCC)C(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000156244442 188251143 /nfs/dbraw/zinc/25/11/43/188251143.db2.gz CGKDJAWSWRFODK-UHFFFAOYSA-N -1 3 287.367 3.022 20 0 CGADHM CCCC(CCC)C(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000156244442 188251144 /nfs/dbraw/zinc/25/11/44/188251144.db2.gz CGKDJAWSWRFODK-UHFFFAOYSA-N -1 3 287.367 3.022 20 0 CGADHM CCCC(CCC)C(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000156244442 188251145 /nfs/dbraw/zinc/25/11/45/188251145.db2.gz CGKDJAWSWRFODK-UHFFFAOYSA-N -1 3 287.367 3.022 20 0 CGADHM CO[C@H]1CCCC[C@H]1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000293425037 198632388 /nfs/dbraw/zinc/63/23/88/198632388.db2.gz QHUZHTRVWCUJRE-MFKMUULPSA-N -1 3 283.755 3.189 20 0 CGADHM CCO[C@@H](CC(=O)Nc1cc(F)ccc1[O-])C1=CCCC1 ZINC000340316071 215536495 /nfs/dbraw/zinc/53/64/95/215536495.db2.gz VEHQGOFNBAWODM-HNNXBMFYSA-N -1 3 293.338 3.375 20 0 CGADHM O=C(/C=C/c1ccnc2ccccc12)[N-]OC1CCCC1 ZINC000271842653 191362238 /nfs/dbraw/zinc/36/22/38/191362238.db2.gz YQAQPWFNQOUOJA-MDZDMXLPSA-N -1 3 282.343 3.238 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)[C@H]2CCO[C@H](C)C2)c1[O-] ZINC000271848443 191363820 /nfs/dbraw/zinc/36/38/20/191363820.db2.gz IWQQKJGPVWPFIE-ZJUUUORDSA-N -1 3 283.755 3.108 20 0 CGADHM O=C([N-]OC1CCCC1)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000271851521 191368072 /nfs/dbraw/zinc/36/80/72/191368072.db2.gz ZYRFQAICCVKRTF-RYUDHWBXSA-N -1 3 281.302 3.059 20 0 CGADHM O=C(N[C@@H]1CC12CCCC2)c1cc([O-])ccc1Cl ZINC000336356972 213206614 /nfs/dbraw/zinc/20/66/14/213206614.db2.gz KLKLFAHHWNWMJZ-GFCCVEGCSA-N -1 3 265.740 3.108 20 0 CGADHM Cc1ncccc1C=Cc1cc(=O)[n-]c(C(C)(C)C)n1 ZINC000414082480 235331661 /nfs/dbraw/zinc/33/16/61/235331661.db2.gz VDQFIMZAFRXEMC-BQYQJAHWSA-N -1 3 269.348 3.354 20 0 CGADHM O=C(NCc1ccc([O-])c(F)c1)N1CC2(C1)CCCCC2 ZINC000273723782 192278392 /nfs/dbraw/zinc/27/83/92/192278392.db2.gz ORAKDPJDKJYVGM-UHFFFAOYSA-N -1 3 292.354 3.007 20 0 CGADHM COCCC(C)(C)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000273803700 192314169 /nfs/dbraw/zinc/31/41/69/192314169.db2.gz IKXPXUMVQWZZIV-UHFFFAOYSA-N -1 3 271.744 3.047 20 0 CGADHM Cc1ccoc1C(=O)[N-]c1nc(-c2ccsc2)ns1 ZINC000109111024 138361730 /nfs/dbraw/zinc/36/17/30/138361730.db2.gz MXDVOPVLJZLLMI-UHFFFAOYSA-N -1 3 291.357 3.420 20 0 CGADHM O=C(Nc1ccncc1[O-])[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000109890818 138362430 /nfs/dbraw/zinc/36/24/30/138362430.db2.gz URTPYBVMTOQONR-IUCAKERBSA-N -1 3 288.269 3.094 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])[C@H]1C[C@@H]1C1CC1 ZINC000176042877 138422312 /nfs/dbraw/zinc/42/23/12/138422312.db2.gz YZJGASLJUMMCTP-ZJUUUORDSA-N -1 3 251.713 3.030 20 0 CGADHM CC(C)(NCc1ccc(-c2cccc(F)c2F)o1)C(=O)[O-] ZINC000340682575 215683328 /nfs/dbraw/zinc/68/33/28/215683328.db2.gz SDMFRDUISITSLU-UHFFFAOYSA-N -1 3 295.285 3.178 20 0 CGADHM Cc1cccc([C@H](NCc2ccccc2F)C(=O)[O-])c1C ZINC000426729798 236309058 /nfs/dbraw/zinc/30/90/58/236309058.db2.gz GZCDUBLBDYHSGT-INIZCTEOSA-N -1 3 287.334 3.358 20 0 CGADHM Cc1ccc(F)cc1CN[C@H](C(=O)[O-])c1cccc(F)c1 ZINC000426825924 236317390 /nfs/dbraw/zinc/31/73/90/236317390.db2.gz CJAUNPBNORKTGD-HNNXBMFYSA-N -1 3 291.297 3.189 20 0 CGADHM Cc1cccc([O-])c1NC(=O)CC1CC(F)(F)C1 ZINC000336186753 213005430 /nfs/dbraw/zinc/00/54/30/213005430.db2.gz XZBSAMSVIIKWEG-UHFFFAOYSA-N -1 3 255.264 3.075 20 0 CGADHM Cc1ccc(C(=O)NCc2ccc(F)cc2F)c([O-])c1C ZINC000436639704 237148699 /nfs/dbraw/zinc/14/86/99/237148699.db2.gz MCFMDYXUSCRPPQ-UHFFFAOYSA-N -1 3 291.297 3.217 20 0 CGADHM Cc1cc(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])cnn1 ZINC000436507999 237121330 /nfs/dbraw/zinc/12/13/30/237121330.db2.gz BJDZZFYNYRMFRL-UHFFFAOYSA-N -1 3 285.347 3.040 20 0 CGADHM Cc1ccc(C(=O)N2CCC[C@@H](C)CC2)c([O-])c1C ZINC000436537408 237123378 /nfs/dbraw/zinc/12/33/78/237123378.db2.gz GSIZATANMUMHJA-LLVKDONJSA-N -1 3 261.365 3.271 20 0 CGADHM Cc1ccc(C(=O)N2CCc3cc(F)c(F)cc32)c([O-])c1 ZINC000436528344 237123750 /nfs/dbraw/zinc/12/37/50/237123750.db2.gz NWAUDSZCIKHWGL-UHFFFAOYSA-N -1 3 289.281 3.182 20 0 CGADHM COc1ccc(C(=O)N[C@@H]2c3ccccc3C[C@@H]2C)c([O-])c1 ZINC000436544720 237127287 /nfs/dbraw/zinc/12/72/87/237127287.db2.gz KFWCWRAYGSJGJO-GTNSWQLSSA-N -1 3 297.354 3.064 20 0 CGADHM C[C@H](CNC(=O)c1ccccc1[O-])c1ccc(F)cc1F ZINC000436572444 237131846 /nfs/dbraw/zinc/13/18/46/237131846.db2.gz GDKHNHDEABFZPU-SNVBAGLBSA-N -1 3 291.297 3.204 20 0 CGADHM CC(C)ON=C([O-])Nc1ccc(OC(C)(C)C)cc1 ZINC000296807979 200003969 /nfs/dbraw/zinc/00/39/69/200003969.db2.gz KCXOANFJLRSYHI-UHFFFAOYSA-N -1 3 266.341 3.325 20 0 CGADHM CC(C)O[N-]C(=O)Nc1ccc(OC(C)(C)C)cc1 ZINC000296807979 200003970 /nfs/dbraw/zinc/00/39/70/200003970.db2.gz KCXOANFJLRSYHI-UHFFFAOYSA-N -1 3 266.341 3.325 20 0 CGADHM COc1cccc2c1CC[C@H]2NC(=O)c1cc(C)ccc1[O-] ZINC000436584054 237139165 /nfs/dbraw/zinc/13/91/65/237139165.db2.gz GGQOHFJZRHQGSD-OAHLLOKOSA-N -1 3 297.354 3.127 20 0 CGADHM Cc1ccc(C(=O)N[C@@H](C)Cc2ccccc2C)c([O-])c1 ZINC000436783860 237182672 /nfs/dbraw/zinc/18/26/72/237182672.db2.gz NUZXKRGVDCDSNM-AWEZNQCLSA-N -1 3 283.371 3.370 20 0 CGADHM Cc1ccc(C(=O)N2CC[C@H](C)C(F)(F)C2)c([O-])c1C ZINC000436820712 237186990 /nfs/dbraw/zinc/18/69/90/237186990.db2.gz MMOKMAKPMYFQGS-JTQLQIEISA-N -1 3 283.318 3.126 20 0 CGADHM Cc1ccc(C(=O)N2CCc3cc(F)ccc32)c([O-])c1C ZINC000436690180 237160867 /nfs/dbraw/zinc/16/08/67/237160867.db2.gz YLJSNEJPOCZQRJ-UHFFFAOYSA-N -1 3 285.318 3.351 20 0 CGADHM C[C@H]1C[C@H](C(C)(C)C)CCN1C(=O)c1ccc(O)cc1[O-] ZINC000436844839 237192312 /nfs/dbraw/zinc/19/23/12/237192312.db2.gz HKBKNUUJRSWFMA-NWDGAFQWSA-N -1 3 291.391 3.385 20 0 CGADHM COCc1ccccc1CNC(=O)c1ccc(C)c(C)c1[O-] ZINC000436762938 237177559 /nfs/dbraw/zinc/17/75/59/237177559.db2.gz UOEHTXHYABAOIS-UHFFFAOYSA-N -1 3 299.370 3.085 20 0 CGADHM Cc1ccc(C(=O)Nc2cc3n[nH]cc3c(C)c2)c([O-])c1 ZINC000436959275 237223063 /nfs/dbraw/zinc/22/30/63/237223063.db2.gz CIOKGZWDYWOSOZ-UHFFFAOYSA-N -1 3 281.315 3.138 20 0 CGADHM Cc1cc(C(=O)N[C@@H](C)c2cccc(F)c2F)ccc1[O-] ZINC000436929622 237211433 /nfs/dbraw/zinc/21/14/33/237211433.db2.gz FQAWRUYEBJPHJR-JTQLQIEISA-N -1 3 291.297 3.470 20 0 CGADHM O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccccc1[O-] ZINC000437007305 237230617 /nfs/dbraw/zinc/23/06/17/237230617.db2.gz UMJAOHQEGOWBJM-MQMHXKEQSA-N -1 3 285.318 3.207 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CC(C)(C)[C@@H]2C(C)C)c1 ZINC000437008093 237230805 /nfs/dbraw/zinc/23/08/05/237230805.db2.gz ZYQZUVFNJGDUOW-AWEZNQCLSA-N -1 3 261.365 3.207 20 0 CGADHM CSc1ccc(CCNC(=O)c2ccccc2[O-])cc1 ZINC000437506524 237291131 /nfs/dbraw/zinc/29/11/31/237291131.db2.gz IARMJTABXZBKKS-UHFFFAOYSA-N -1 3 287.384 3.087 20 0 CGADHM C[C@H]1CCc2nc(NC(=O)c3cccc([O-])c3)sc2C1 ZINC000341663685 216055181 /nfs/dbraw/zinc/05/51/81/216055181.db2.gz YHZBCVKZQKSJIP-VIFPVBQESA-N -1 3 288.372 3.226 20 0 CGADHM [O-]C(=NOCC1CC1)Nc1cccnc1-c1ccccc1 ZINC000297739348 200272455 /nfs/dbraw/zinc/27/24/55/200272455.db2.gz KVULXCLRCKRGRI-UHFFFAOYSA-N -1 3 283.331 3.212 20 0 CGADHM O=C([N-]OCC1CC1)Nc1cccnc1-c1ccccc1 ZINC000297739348 200272457 /nfs/dbraw/zinc/27/24/57/200272457.db2.gz KVULXCLRCKRGRI-UHFFFAOYSA-N -1 3 283.331 3.212 20 0 CGADHM Cc1ccc(Br)c(NC([O-])=NOC(C)C)c1 ZINC000297861385 200294271 /nfs/dbraw/zinc/29/42/71/200294271.db2.gz UJDIDSQSHIOECF-UHFFFAOYSA-N -1 3 287.157 3.219 20 0 CGADHM Cc1ccc(Br)c(NC(=O)[N-]OC(C)C)c1 ZINC000297861385 200294273 /nfs/dbraw/zinc/29/42/73/200294273.db2.gz UJDIDSQSHIOECF-UHFFFAOYSA-N -1 3 287.157 3.219 20 0 CGADHM CO[C@@H](C(=O)[N-]c1onc(C2CCCCC2)c1C)C1CC1 ZINC000297907547 200302325 /nfs/dbraw/zinc/30/23/25/200302325.db2.gz WSYUFLAVKBPMII-CQSZACIVSA-N -1 3 292.379 3.394 20 0 CGADHM Cc1cc(C(=O)Nc2ccccc2-c2cn[nH]c2)ccc1[O-] ZINC000439756980 238276017 /nfs/dbraw/zinc/27/60/17/238276017.db2.gz NLMFSZMPXXEYDC-UHFFFAOYSA-N -1 3 293.326 3.343 20 0 CGADHM Cc1ccc(O[C@@H](C)CNC(=O)c2ccc(C)cc2[O-])cc1 ZINC000440272414 238300151 /nfs/dbraw/zinc/30/01/51/238300151.db2.gz VYXSLJQLJJTUKL-AWEZNQCLSA-N -1 3 299.370 3.206 20 0 CGADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)C1(CCF)CC1 ZINC000355059379 227355285 /nfs/dbraw/zinc/35/52/85/227355285.db2.gz MCOYRTAUKZZLOF-UHFFFAOYSA-N -1 3 291.244 3.489 20 0 CGADHM O=C([N-]c1nccc2sccc21)c1cc(C2CC2)no1 ZINC000441279121 238390582 /nfs/dbraw/zinc/39/05/82/238390582.db2.gz BHGPBUINCLWSQC-UHFFFAOYSA-N -1 3 285.328 3.414 20 0 CGADHM Cc1cc(NCc2ccc([O-])c(F)c2)nc(C(C)C)n1 ZINC000301369510 200988152 /nfs/dbraw/zinc/98/81/52/200988152.db2.gz PIEOIIATEFNWBX-UHFFFAOYSA-N -1 3 275.327 3.365 20 0 CGADHM C[C@@H](c1cc(F)ccc1F)N(C)CCCCC(=O)[O-] ZINC000181544288 189299772 /nfs/dbraw/zinc/29/97/72/189299772.db2.gz HOMWOKDTNRWFCF-JTQLQIEISA-N -1 3 271.307 3.213 20 0 CGADHM C[C@H](c1cc(F)ccc1F)N(C)CCCCC(=O)[O-] ZINC000181544305 189300638 /nfs/dbraw/zinc/30/06/38/189300638.db2.gz HOMWOKDTNRWFCF-SNVBAGLBSA-N -1 3 271.307 3.213 20 0 CGADHM CCC[C@@H](NCc1nc(CC)cc(=O)[n-]1)c1ccccc1 ZINC000181767694 189305969 /nfs/dbraw/zinc/30/59/69/189305969.db2.gz SBHOZHMEVXGPNW-OAHLLOKOSA-N -1 3 285.391 3.376 20 0 CGADHM Cc1cc(C(=O)Nc2ccc(Cl)cc2[O-])ccn1 ZINC000335786580 212529856 /nfs/dbraw/zinc/52/98/56/212529856.db2.gz DDPOUWMXBKZTKC-UHFFFAOYSA-N -1 3 262.696 3.001 20 0 CGADHM COCCC[C@@H](C)C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000182446838 189323990 /nfs/dbraw/zinc/32/39/90/189323990.db2.gz PNTVZHHADCSJFG-SECBINFHSA-N -1 3 285.771 3.355 20 0 CGADHM Cc1cccc([O-])c1NC(=O)C1CCC(F)(F)CC1 ZINC000183077528 189345921 /nfs/dbraw/zinc/34/59/21/189345921.db2.gz WCGTZYOZIYHXHF-UHFFFAOYSA-N -1 3 269.291 3.465 20 0 CGADHM Cc1cccc([O-])c1NC(=O)c1ccc2c(c1)CCCC2=O ZINC000335666235 212384770 /nfs/dbraw/zinc/38/47/70/212384770.db2.gz LEAUMLJPZHWAMJ-UHFFFAOYSA-N -1 3 295.338 3.472 20 0 CGADHM CC(C)C1(C)CCN(C(=O)Cc2ccc([O-])c(F)c2)CC1 ZINC000450798414 240090309 /nfs/dbraw/zinc/09/03/09/240090309.db2.gz ZALVARXMOAHZME-UHFFFAOYSA-N -1 3 293.382 3.359 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)NCc1ccc(C2CC2)cc1 ZINC000451142193 240227576 /nfs/dbraw/zinc/22/75/76/240227576.db2.gz VZENNTANFKJERS-UHFFFAOYSA-N -1 3 299.345 3.268 20 0 CGADHM C[C@H]1CC[C@H](N(C)Cc2nc(=O)c3sccc3[n-]2)C1 ZINC000275768064 193123754 /nfs/dbraw/zinc/12/37/54/193123754.db2.gz YPTPXOBGUZTQJH-UWVGGRQHSA-N -1 3 277.393 3.017 20 0 CGADHM Cc1ccccc1CN(C)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459298509 242059509 /nfs/dbraw/zinc/05/95/09/242059509.db2.gz OXGUIRXNFRIIMZ-UHFFFAOYSA-N -1 3 283.375 3.000 20 0 CGADHM Cc1ccc(CN(C)Cc2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC000459310807 242065833 /nfs/dbraw/zinc/06/58/33/242065833.db2.gz RJLJRRZDTZSGBN-UHFFFAOYSA-N -1 3 283.375 3.000 20 0 CGADHM CCOC[C@@H]1CCCCN1Cc1c(F)ccc([O-])c1F ZINC000459668602 242171132 /nfs/dbraw/zinc/17/11/32/242171132.db2.gz CDOVESYYVHRHBA-NSHDSACASA-N -1 3 285.334 3.061 20 0 CGADHM CCC(CC)(CC)[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000462313487 242335550 /nfs/dbraw/zinc/33/55/50/242335550.db2.gz GBBKOGZHPRIJHX-UHFFFAOYSA-N -1 3 291.363 3.212 20 0 CGADHM CCc1ccc([O-])c(C(=O)N[C@H](C)CC(F)(F)F)c1 ZINC000468633959 242649752 /nfs/dbraw/zinc/64/97/52/242649752.db2.gz YEOGZSDAGXJDHN-MRVPVSSYSA-N -1 3 275.270 3.025 20 0 CGADHM CC(C)=CC[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000480739806 243164146 /nfs/dbraw/zinc/16/41/46/243164146.db2.gz NNRHZFPMAJVKTK-UHFFFAOYSA-N -1 3 294.203 3.238 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2cn(C)nc2C(C)C)c1 ZINC000482917630 243251816 /nfs/dbraw/zinc/25/18/16/243251816.db2.gz JNIYHKQUKAKMIU-UHFFFAOYSA-N -1 3 287.363 3.064 20 0 CGADHM CC(C)COc1cccc(CN2CCC(C(=O)[O-])CC2)c1 ZINC000003747761 368517816 /nfs/dbraw/zinc/51/78/16/368517816.db2.gz BAKBETCWTBIAGW-UHFFFAOYSA-N -1 3 291.391 3.018 20 0 CGADHM CCc1cc(C(=O)NCCc2sccc2C)ccc1[O-] ZINC000486845697 243374691 /nfs/dbraw/zinc/37/46/91/243374691.db2.gz NBWMRFMNAOJKAM-UHFFFAOYSA-N -1 3 289.400 3.297 20 0 CGADHM O=C(c1ccccc1[O-])N1CCC(Cc2ccccc2)CC1 ZINC000011639229 368592446 /nfs/dbraw/zinc/59/24/46/368592446.db2.gz LBXVSDYPBAFEOL-UHFFFAOYSA-N -1 3 295.382 3.487 20 0 CGADHM CC(=O)c1cccc(NC(=O)c2cc(C)ccc2[O-])c1 ZINC000019806266 368767576 /nfs/dbraw/zinc/76/75/76/368767576.db2.gz NNPRMHDNMUVOLL-UHFFFAOYSA-N -1 3 269.300 3.156 20 0 CGADHM O=C(Nc1ccccc1[O-])c1cc2c(cccc2F)[nH]1 ZINC000023877388 368825025 /nfs/dbraw/zinc/82/50/25/368825025.db2.gz KXMLYJGDXXVPKT-UHFFFAOYSA-N -1 3 270.263 3.265 20 0 CGADHM CCc1cccc(C(=O)Nc2ccnn2[C@@H](C)C2CC2)c1[O-] ZINC000537687392 376193728 /nfs/dbraw/zinc/19/37/28/376193728.db2.gz DTYQPAGBZLXSGO-NSHDSACASA-N -1 3 299.374 3.374 20 0 CGADHM O=S(=O)([N-]CC1CCC1)c1cc(Cl)ccc1Cl ZINC000030360248 368902147 /nfs/dbraw/zinc/90/21/47/368902147.db2.gz PQRBQPVJPAXWMX-UHFFFAOYSA-N -1 3 294.203 3.072 20 0 CGADHM O=S(=O)([N-]CC1CCC1)c1cc(Cl)cc(Cl)c1 ZINC000030360217 368902172 /nfs/dbraw/zinc/90/21/72/368902172.db2.gz MANYPKILZSSWRY-UHFFFAOYSA-N -1 3 294.203 3.072 20 0 CGADHM C[C@H](c1cccc(Cl)c1)N1CCC[C@H](C(=O)[O-])C1 ZINC000033652440 368967944 /nfs/dbraw/zinc/96/79/44/368967944.db2.gz RAFDHTTTXDGVCA-PWSUYJOCSA-N -1 3 267.756 3.198 20 0 CGADHM Cc1ccc(-c2nc(-c3ccc([O-])cc3)no2)s1 ZINC000034956049 368981507 /nfs/dbraw/zinc/98/15/07/368981507.db2.gz RXJMVQILGBHNSJ-UHFFFAOYSA-N -1 3 258.302 3.479 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-][C@H](C)c2cccc(C)c2C)o1 ZINC000330666514 203094762 /nfs/dbraw/zinc/09/47/62/203094762.db2.gz XRDNTQNJFWSDAG-CYBMUJFWSA-N -1 3 293.388 3.244 20 0 CGADHM O=C(/C=C\c1ccc(C2CC2)cc1)[N-]OC1CCC1 ZINC000492960809 244061006 /nfs/dbraw/zinc/06/10/06/244061006.db2.gz OXGSPLUQGVJFJT-WDZFZDKYSA-N -1 3 257.333 3.178 20 0 CGADHM Cc1ccc(NC(=O)c2cccc3[nH]ccc32)c([O-])c1 ZINC000040438870 369156828 /nfs/dbraw/zinc/15/68/28/369156828.db2.gz KHTCEEVZLZTUHS-UHFFFAOYSA-N -1 3 266.300 3.434 20 0 CGADHM C[C@@H](C1CCCCC1)N(C)C(=O)/C=C\c1cncc([O-])c1 ZINC000492854690 244038367 /nfs/dbraw/zinc/03/83/67/244038367.db2.gz FESFTOJHMCHZGW-YXVBKTCISA-N -1 3 288.391 3.228 20 0 CGADHM O=C(/C=C\Sc1ccccc1)[N-]OC/C=C\Cl ZINC000493125844 244102065 /nfs/dbraw/zinc/10/20/65/244102065.db2.gz GZGWOQJPOJDDNC-LJBIEAABSA-N -1 3 269.753 3.093 20 0 CGADHM Cc1ccc([O-])c(C(=O)N(C)[C@H]2CCC[C@H](C)C2)c1 ZINC000042355454 369216276 /nfs/dbraw/zinc/21/62/76/369216276.db2.gz QGNIDGIIQWQBEG-AAEUAGOBSA-N -1 3 261.365 3.351 20 0 CGADHM O=C(/C=C/c1ccc(C2CC2)cc1)[N-]OCC(F)(F)F ZINC000493415710 244159696 /nfs/dbraw/zinc/15/96/96/244159696.db2.gz CRLBASFVLAKPGC-FPYGCLRLSA-N -1 3 285.265 3.187 20 0 CGADHM O=C(/C=C/c1cccnc1)Nc1c([O-])cccc1Cl ZINC000493651715 244205562 /nfs/dbraw/zinc/20/55/62/244205562.db2.gz LDLAYNKDSFCJQI-VOTSOKGWSA-N -1 3 274.707 3.093 20 0 CGADHM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1c(F)cccc1F ZINC000250792401 304149881 /nfs/dbraw/zinc/14/98/81/304149881.db2.gz SPECHMCNBPBYMB-KMUNFCNLSA-N -1 3 295.329 3.183 20 0 CGADHM CC(=O)Nc1ccc(NC(=O)c2ccc(C)c(C)c2[O-])cc1 ZINC000048369301 369344124 /nfs/dbraw/zinc/34/41/24/369344124.db2.gz VWKMLPMCFWKGFA-UHFFFAOYSA-N -1 3 298.342 3.220 20 0 CGADHM CSc1ccc(CN2CCC[C@H](CC(=O)[O-])C2)cc1 ZINC000054300511 369500165 /nfs/dbraw/zinc/50/01/65/369500165.db2.gz JFFPYFQMCTWUCN-CYBMUJFWSA-N -1 3 279.405 3.095 20 0 CGADHM COc1cc(C(=O)N(C)[C@@H]2CCC[C@@H](C)C2)ccc1[O-] ZINC000276208341 193243252 /nfs/dbraw/zinc/24/32/52/193243252.db2.gz WCAMLUGQCOSXCV-DGCLKSJQSA-N -1 3 277.364 3.052 20 0 CGADHM CCCCc1nnc([N-]C(=O)c2cccnc2Cl)s1 ZINC000069343091 369756477 /nfs/dbraw/zinc/75/64/77/369756477.db2.gz UKCSKWCDBNXVQS-UHFFFAOYSA-N -1 3 296.783 3.181 20 0 CGADHM Cc1c(C(=O)Nc2ccccc2[O-])cnn1-c1ccccc1 ZINC000073138879 369850709 /nfs/dbraw/zinc/85/07/09/369850709.db2.gz AGIRQGLACUTOIN-UHFFFAOYSA-N -1 3 293.326 3.139 20 0 CGADHM Cc1ccc([O-])c(C(=O)NCCc2cccc3[nH]ccc32)c1 ZINC000506207475 244784803 /nfs/dbraw/zinc/78/48/03/244784803.db2.gz LERGQRUCMLJVLY-UHFFFAOYSA-N -1 3 294.354 3.154 20 0 CGADHM C[C@H](CN(C)Cc1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000087761511 370029327 /nfs/dbraw/zinc/02/93/27/370029327.db2.gz WZJBSUHQQXKALB-MRVPVSSYSA-N -1 3 276.163 3.146 20 0 CGADHM C[C@H]1CC[C@@H](N(C)C(=O)c2cc([O-])ccc2Cl)C1 ZINC000507310479 244825945 /nfs/dbraw/zinc/82/59/45/244825945.db2.gz UWGWMWDGYZTCBC-VHSXEESVSA-N -1 3 267.756 3.306 20 0 CGADHM Cc1ccc(C(=O)N[C@H]2CCCc3occc32)c([O-])c1C ZINC000097476571 370243596 /nfs/dbraw/zinc/24/35/96/370243596.db2.gz YKJBVJZJSBGSBI-AWEZNQCLSA-N -1 3 285.343 3.409 20 0 CGADHM Cc1ccc(NC(=O)[C@H]2CCOc3ccccc32)c([O-])c1 ZINC000110908988 370390680 /nfs/dbraw/zinc/39/06/80/370390680.db2.gz BPDGYKBQWGYJNU-ZDUSSCGKSA-N -1 3 283.327 3.205 20 0 CGADHM CCCc1ccc(S(=O)(=O)[N-]c2ccncc2C)cc1 ZINC000112496772 370428732 /nfs/dbraw/zinc/42/87/32/370428732.db2.gz YMBWOWPHRHIWEN-UHFFFAOYSA-N -1 3 290.388 3.143 20 0 CGADHM Cc1csc(C(C)(C)NC(=O)c2cc(C)ccc2[O-])n1 ZINC000116147153 370550202 /nfs/dbraw/zinc/55/02/02/370550202.db2.gz LLHSGEHKYXHSIF-UHFFFAOYSA-N -1 3 290.388 3.131 20 0 CGADHM Fc1ccc2oc([N-]c3cnn(CC(F)F)c3)nc2c1 ZINC000116873315 370572363 /nfs/dbraw/zinc/57/23/63/370572363.db2.gz LQQXFYXUFPRLGO-UHFFFAOYSA-N -1 3 282.225 3.172 20 0 CGADHM Cc1cccc(-c2nc([C@@H]3CCO[C@H](C)C3)no2)c1[O-] ZINC000331699408 204085981 /nfs/dbraw/zinc/08/59/81/204085981.db2.gz VTRGWCJITQUTSK-GHMZBOCLSA-N -1 3 274.320 3.033 20 0 CGADHM Cc1ccc([O-])c(NC(=O)[C@H]2CCCc3sccc32)n1 ZINC000331864246 204242391 /nfs/dbraw/zinc/24/23/91/204242391.db2.gz SHDMEJDZBKISEY-NSHDSACASA-N -1 3 288.372 3.216 20 0 CGADHM CCC(CC)C[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000134379778 371329717 /nfs/dbraw/zinc/32/97/17/371329717.db2.gz UAGIGHLKQLHWEK-UHFFFAOYSA-N -1 3 293.791 3.194 20 0 CGADHM C[C@H]1CCC[C@H](NC(=O)Cc2ccc([O-])cc2Cl)C1 ZINC000136149643 371462570 /nfs/dbraw/zinc/46/25/70/371462570.db2.gz UHQLZGNAFKNVDK-JQWIXIFHSA-N -1 3 281.783 3.283 20 0 CGADHM Cc1cccc(C(=O)N(C)C2CC(OC(C)(C)C)C2)c1[O-] ZINC000421694256 371607752 /nfs/dbraw/zinc/60/77/52/371607752.db2.gz QCUJLKZLBYBGAG-UHFFFAOYSA-N -1 3 291.391 3.119 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000421786294 371632859 /nfs/dbraw/zinc/63/28/59/371632859.db2.gz QAXJDFXMAYKJKT-AEJSXWLSSA-N -1 3 265.740 3.420 20 0 CGADHM Cc1noc(C2CC2)c1[N-]C(=O)c1ccc(Cl)cn1 ZINC000154167566 371824229 /nfs/dbraw/zinc/82/42/29/371824229.db2.gz VWSUOKHMVHFUOA-UHFFFAOYSA-N -1 3 277.711 3.161 20 0 CGADHM [O-]C(=NOC/C=C/Cl)Nc1cccc(N2CCCC2)c1 ZINC000289850823 371838474 /nfs/dbraw/zinc/83/84/74/371838474.db2.gz POZNZSJMTSEBIH-QPJJXVBHSA-N -1 3 295.770 3.092 20 0 CGADHM O=C([N-]OC/C=C/Cl)Nc1cccc(N2CCCC2)c1 ZINC000289850823 371838483 /nfs/dbraw/zinc/83/84/83/371838483.db2.gz POZNZSJMTSEBIH-QPJJXVBHSA-N -1 3 295.770 3.092 20 0 CGADHM O=C([O-])C[C@H](NCc1cccc(F)c1)c1cccs1 ZINC000037087863 541861572 /nfs/dbraw/zinc/86/15/72/541861572.db2.gz MMJOCRUKEIJVNN-LBPRGKRZSA-N -1 3 279.336 3.193 20 0 CGADHM O=C([O-])C[C@@H](NCc1cccc(F)c1)c1cccs1 ZINC000037087864 541861245 /nfs/dbraw/zinc/86/12/45/541861245.db2.gz MMJOCRUKEIJVNN-GFCCVEGCSA-N -1 3 279.336 3.193 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)Sc2nc3ccccc3o2)n1 ZINC000155859969 371950728 /nfs/dbraw/zinc/95/07/28/371950728.db2.gz SQGBFLCWBCPTBB-VIFPVBQESA-N -1 3 287.344 3.485 20 0 CGADHM Cc1n[nH]c(C)c1[C@H]1CCCN1Cc1cc([O-])cc(F)c1 ZINC000290593621 372025351 /nfs/dbraw/zinc/02/53/51/372025351.db2.gz VLIMZFDWPYDXGK-OAHLLOKOSA-N -1 3 289.354 3.208 20 0 CGADHM CCc1ccc([O-])c(C(=O)N(C)C2(C)CCCC2)c1 ZINC000428656264 372244181 /nfs/dbraw/zinc/24/41/81/372244181.db2.gz HREMTUZEJJLUED-UHFFFAOYSA-N -1 3 261.365 3.359 20 0 CGADHM CC(C)C[C@H](NCc1ccc(Cl)cc1F)C(=O)[O-] ZINC000160799626 372277875 /nfs/dbraw/zinc/27/78/75/372277875.db2.gz AOXDGESELHSODQ-LBPRGKRZSA-N -1 3 273.735 3.068 20 0 CGADHM Cc1cccc(OC(F)F)c1NC([O-])=NOCC1CC1 ZINC000293029727 372282653 /nfs/dbraw/zinc/28/26/53/372282653.db2.gz WCQADLBTWPZSNX-UHFFFAOYSA-N -1 3 286.278 3.060 20 0 CGADHM Cc1cccc(OC(F)F)c1NC(=O)[N-]OCC1CC1 ZINC000293029727 372282657 /nfs/dbraw/zinc/28/26/57/372282657.db2.gz WCQADLBTWPZSNX-UHFFFAOYSA-N -1 3 286.278 3.060 20 0 CGADHM [O-]c1cccc(CN[C@H]2CCOC3(CCC3)C2)c1Cl ZINC000293150702 372311772 /nfs/dbraw/zinc/31/17/72/372311772.db2.gz DUALXNMEQWCYIF-LBPRGKRZSA-N -1 3 281.783 3.237 20 0 CGADHM CCOc1ccccc1CN1CCC(CCC(=O)[O-])CC1 ZINC000050926529 541875678 /nfs/dbraw/zinc/87/56/78/541875678.db2.gz LZFLPAWIVCNUQQ-UHFFFAOYSA-N -1 3 291.391 3.162 20 0 CGADHM O=C(c1cc([O-])ccc1Cl)N1CCSC[C@@H]1C1CC1 ZINC000456161973 296184050 /nfs/dbraw/zinc/18/40/50/296184050.db2.gz AKSKENCTXJUHLN-CYBMUJFWSA-N -1 3 297.807 3.013 20 0 CGADHM CCc1cc(=O)[n-]c(CN2CCC[C@H]2c2cccc(C)c2)n1 ZINC000344351043 217164854 /nfs/dbraw/zinc/16/48/54/217164854.db2.gz NDWUZKVMVQJHBG-INIZCTEOSA-N -1 3 297.402 3.390 20 0 CGADHM COc1cccc(C(=O)N2CC3(CCC3)[C@@H]2C(C)C)c1[O-] ZINC000293652316 372437942 /nfs/dbraw/zinc/43/79/42/372437942.db2.gz FCNZUPNNSPCTDQ-HNNXBMFYSA-N -1 3 289.375 3.052 20 0 CGADHM Cc1nc(C)c(CNCc2cccc([O-])c2Cl)s1 ZINC000293721029 372461826 /nfs/dbraw/zinc/46/18/26/372461826.db2.gz YNENDCAPMFRDAJ-UHFFFAOYSA-N -1 3 282.796 3.409 20 0 CGADHM CC(C)(C)c1ccc(CN2CCC[C@@H](C(=O)[O-])C2)s1 ZINC000166276318 372570917 /nfs/dbraw/zinc/57/09/17/372570917.db2.gz WBMQDVLTJVNKBO-LLVKDONJSA-N -1 3 281.421 3.342 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CC(C)(C)[C@H]2c2ccncc2)c1 ZINC000294066788 372571494 /nfs/dbraw/zinc/57/14/94/372571494.db2.gz WPFQUSFXDAVZRD-MRXNPFEDSA-N -1 3 296.370 3.319 20 0 CGADHM COC(=O)c1[n-]c(=N[C@@H]2C[C@@H]2C2CCCCC2)sc1C ZINC000433766574 372626855 /nfs/dbraw/zinc/62/68/55/372626855.db2.gz OBHAKFACTPHJAQ-VXGBXAGGSA-N -1 3 294.420 3.041 20 0 CGADHM O=[S@](Cc1ccccc1OC(F)F)c1ccc([O-])cc1 ZINC000170973615 372693967 /nfs/dbraw/zinc/69/39/67/372693967.db2.gz OABFURMHODSDQS-HXUWFJFHSA-N -1 3 298.310 3.301 20 0 CGADHM Cc1cc(C[S@](=O)c2ccc([O-])cc2)c(C)s1 ZINC000170973640 372694124 /nfs/dbraw/zinc/69/41/24/372694124.db2.gz RMFDRYVKKGRXNR-KRWDZBQOSA-N -1 3 266.387 3.378 20 0 CGADHM [O-]c1ccc(F)c(CN2CCc3ccsc3C2)c1F ZINC000295297865 372730010 /nfs/dbraw/zinc/73/00/10/372730010.db2.gz JQRJXFCVYQXZMX-UHFFFAOYSA-N -1 3 281.327 3.290 20 0 CGADHM CC1(C)CCN(Cc2cc([O-])cc(F)c2)CCS1 ZINC000435049467 372730670 /nfs/dbraw/zinc/73/06/70/372730670.db2.gz NVVCAHWJUHOQKP-UHFFFAOYSA-N -1 3 269.385 3.249 20 0 CGADHM C[C@@H]1[C@@H](C(=O)Nc2ccccc2[O-])[C@@H]1c1ccccc1 ZINC000435580649 372778928 /nfs/dbraw/zinc/77/89/28/372778928.db2.gz UWIAQUFQYIDSPO-KNXALSJPSA-N -1 3 267.328 3.380 20 0 CGADHM Cc1ccc(C(=O)N2CCCCC[C@H]2C)c([O-])c1C ZINC000436543077 372836242 /nfs/dbraw/zinc/83/62/42/372836242.db2.gz DCYJPTNWIZGTBS-GFCCVEGCSA-N -1 3 261.365 3.414 20 0 CGADHM Cc1cc(CCCC(=O)[N-]OC(C)C)c(C)s1 ZINC000295721098 372888716 /nfs/dbraw/zinc/88/87/16/372888716.db2.gz QLFVMHAXJCATGA-UHFFFAOYSA-N -1 3 255.383 3.144 20 0 CGADHM COc1ccc([O-])c(C(=O)N2CC3(CC3)c3ccccc32)c1 ZINC000172434357 372962867 /nfs/dbraw/zinc/96/28/67/372962867.db2.gz WLXQIAQXYGELAW-UHFFFAOYSA-N -1 3 295.338 3.093 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CC3(CC3)c3ccccc32)c1 ZINC000172428755 372962884 /nfs/dbraw/zinc/96/28/84/372962884.db2.gz LKHABPPQTLKFAU-UHFFFAOYSA-N -1 3 279.339 3.393 20 0 CGADHM COc1ccc(C(=O)N2[C@@H](C)C[C@@H]3CCCC[C@@H]32)c([O-])c1 ZINC000173051277 373084871 /nfs/dbraw/zinc/08/48/71/373084871.db2.gz DNNFINKZMCQJQK-HUBLWGQQSA-N -1 3 289.375 3.194 20 0 CGADHM CC[C@H](C)Oc1cccc(NC([O-])=NOC(C)C)c1 ZINC000296517466 373160877 /nfs/dbraw/zinc/16/08/77/373160877.db2.gz OVRBJUKINKEUBA-NSHDSACASA-N -1 3 266.341 3.325 20 0 CGADHM CC[C@H](C)Oc1cccc(NC(=O)[N-]OC(C)C)c1 ZINC000296517466 373160884 /nfs/dbraw/zinc/16/08/84/373160884.db2.gz OVRBJUKINKEUBA-NSHDSACASA-N -1 3 266.341 3.325 20 0 CGADHM COc1cc(C(=O)NCC[C@@H]2CCCC[C@H]2C)ccc1[O-] ZINC000442971517 373135621 /nfs/dbraw/zinc/13/56/21/373135621.db2.gz ZIHPERCEZSBFFS-OLZOCXBDSA-N -1 3 291.391 3.347 20 0 CGADHM FC1(F)CC(c2noc(-c3cc(-c4ccco4)[n-]n3)n2)C1 ZINC000296459073 373141184 /nfs/dbraw/zinc/14/11/84/373141184.db2.gz NSIWBBRPJJBTPE-UHFFFAOYSA-N -1 3 292.245 3.232 20 0 CGADHM FC1(F)CC(c2noc(-c3cc(-c4ccco4)n[n-]3)n2)C1 ZINC000296459073 373141194 /nfs/dbraw/zinc/14/11/94/373141194.db2.gz NSIWBBRPJJBTPE-UHFFFAOYSA-N -1 3 292.245 3.232 20 0 CGADHM Cc1cncc(NC(=O)c2cn[n-]c2-c2ccsc2)c1 ZINC000444181133 373172999 /nfs/dbraw/zinc/17/29/99/373172999.db2.gz JHHTUKXQILBFAP-UHFFFAOYSA-N -1 3 284.344 3.094 20 0 CGADHM Cc1cncc(NC(=O)c2c[n-]nc2-c2ccsc2)c1 ZINC000444181133 373173000 /nfs/dbraw/zinc/17/30/00/373173000.db2.gz JHHTUKXQILBFAP-UHFFFAOYSA-N -1 3 284.344 3.094 20 0 CGADHM Cc1cccc(-c2nc(C3CC(F)(F)C3)no2)c1[O-] ZINC000296581197 373185266 /nfs/dbraw/zinc/18/52/66/373185266.db2.gz WASYMHUDDMKYJK-UHFFFAOYSA-N -1 3 266.247 3.263 20 0 CGADHM Cc1ccc(NC(=O)C(C)C)cc1NC([O-])=NOC(C)C ZINC000296632458 373201560 /nfs/dbraw/zinc/20/15/60/373201560.db2.gz LYCLHSVYVGXIKB-UHFFFAOYSA-N -1 3 293.367 3.051 20 0 CGADHM Cc1ccc(NC(=O)C(C)C)cc1NC(=O)[N-]OC(C)C ZINC000296632458 373201564 /nfs/dbraw/zinc/20/15/64/373201564.db2.gz LYCLHSVYVGXIKB-UHFFFAOYSA-N -1 3 293.367 3.051 20 0 CGADHM COc1cccc(C(=O)N2CCC3(C2)CCCCC3)c1[O-] ZINC000173998044 373230764 /nfs/dbraw/zinc/23/07/64/373230764.db2.gz LSXDLTQFBLAVFY-UHFFFAOYSA-N -1 3 289.375 3.197 20 0 CGADHM CCOc1cc(CN2CCCC2)cc(Cl)c1[O-] ZINC000298438583 373328260 /nfs/dbraw/zinc/32/82/60/373328260.db2.gz ZRAWQGXHQFHLNJ-UHFFFAOYSA-N -1 3 255.745 3.040 20 0 CGADHM O=C(CCC(F)(F)F)Nc1cc(Cl)ccc1[O-] ZINC000175613376 373493364 /nfs/dbraw/zinc/49/33/64/373493364.db2.gz FSCAMPVPYSHIQX-UHFFFAOYSA-N -1 3 267.634 3.327 20 0 CGADHM C[C@H]1[C@H](c2ccccc2)CCN1C(=O)c1ccc(O)cc1[O-] ZINC000175740457 373511690 /nfs/dbraw/zinc/51/16/90/373511690.db2.gz JJYHXWSNWJYXSZ-SWLSCSKDSA-N -1 3 297.354 3.116 20 0 CGADHM Cc1cc(C(=O)N[C@@H]2C[C@H]2C2CCCCC2)ccc1[O-] ZINC000447775425 373484970 /nfs/dbraw/zinc/48/49/70/373484970.db2.gz HVZCKNLJXZBASE-LSDHHAIUSA-N -1 3 273.376 3.399 20 0 CGADHM Cc1ccc(C(=O)N=c2cc(C3(C)CCCC3)o[n-]2)o1 ZINC000448413066 373578151 /nfs/dbraw/zinc/57/81/51/373578151.db2.gz HTBRVMVRAGGVTR-UHFFFAOYSA-N -1 3 274.320 3.082 20 0 CGADHM Cc1cccc([O-])c1NC(=O)c1ccc(C(F)(F)F)nc1 ZINC000179547190 373885956 /nfs/dbraw/zinc/88/59/56/373885956.db2.gz JYYJFYXXJVGIQW-UHFFFAOYSA-N -1 3 296.248 3.367 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)N1CCC2(CCCC2)CC1 ZINC000449913265 373968436 /nfs/dbraw/zinc/96/84/36/373968436.db2.gz QQGBRDOGTHDHIT-UHFFFAOYSA-N -1 3 291.366 3.257 20 0 CGADHM C[C@@H](CNC(=O)c1ccccc1[O-])Cc1cccs1 ZINC000303964040 374033923 /nfs/dbraw/zinc/03/39/23/374033923.db2.gz XPKZUOYJVIIVNC-LLVKDONJSA-N -1 3 275.373 3.062 20 0 CGADHM O=C(Nc1ccc([O-])cc1F)c1ccn(C2CCCC2)n1 ZINC000180858848 374052613 /nfs/dbraw/zinc/05/26/13/374052613.db2.gz XBAJZFIYSXIVKP-UHFFFAOYSA-N -1 3 289.310 3.095 20 0 CGADHM C[C@H]1CCC[C@@]1(C)C(=O)Nc1cc(F)ccc1[O-] ZINC000450402941 374106665 /nfs/dbraw/zinc/10/66/65/374106665.db2.gz LLQMFAGQTHLDOG-LKFCYVNXSA-N -1 3 251.301 3.296 20 0 CGADHM O=C(Nc1ccc(F)cc1NC1CC1)c1cccc([O-])c1 ZINC000182603533 374298465 /nfs/dbraw/zinc/29/84/65/374298465.db2.gz KQWVHCXUGAHQKA-UHFFFAOYSA-N -1 3 286.306 3.358 20 0 CGADHM Cc1cccc(NC(=O)c2c[n-]c3ccccc3c2=O)c1F ZINC000182525628 374285182 /nfs/dbraw/zinc/28/51/82/374285182.db2.gz SLXLRAJGBRQWAE-UHFFFAOYSA-N -1 3 296.301 3.228 20 0 CGADHM Cc1cccc(NC(=O)c2cnc3ccccc3c2[O-])c1F ZINC000182525628 374285189 /nfs/dbraw/zinc/28/51/89/374285189.db2.gz SLXLRAJGBRQWAE-UHFFFAOYSA-N -1 3 296.301 3.228 20 0 CGADHM Cc1cccc([O-])c1NC(=O)CSc1ccc(O)cc1 ZINC000183051043 374363645 /nfs/dbraw/zinc/36/36/45/374363645.db2.gz SESUNRMNOSSHBO-UHFFFAOYSA-N -1 3 289.356 3.137 20 0 CGADHM Cc1cccc(O)c1NC(=O)Cc1ccc([O-])cc1Cl ZINC000182974783 374351531 /nfs/dbraw/zinc/35/15/31/374351531.db2.gz ATCVZKVHNSBZBZ-UHFFFAOYSA-N -1 3 291.734 3.241 20 0 CGADHM O=C(Nc1cccc2ccccc21)c1cccc2nn[n-]c21 ZINC000183327315 374402150 /nfs/dbraw/zinc/40/21/50/374402150.db2.gz QGMPWVCOLZRYAP-UHFFFAOYSA-N -1 3 288.310 3.363 20 0 CGADHM O=C(Nc1cccc2ccccc21)c1cccc2[n-]nnc21 ZINC000183327315 374402161 /nfs/dbraw/zinc/40/21/61/374402161.db2.gz QGMPWVCOLZRYAP-UHFFFAOYSA-N -1 3 288.310 3.363 20 0 CGADHM O=C(Nc1cccc2ccccc21)c1cccc2n[n-]nc21 ZINC000183327315 374402167 /nfs/dbraw/zinc/40/21/67/374402167.db2.gz QGMPWVCOLZRYAP-UHFFFAOYSA-N -1 3 288.310 3.363 20 0 CGADHM C[C@H](c1ccccc1)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000087612791 541945087 /nfs/dbraw/zinc/94/50/87/541945087.db2.gz HADJTKXVSQUFHS-CXAGYDPISA-N -1 3 281.355 3.432 20 0 CGADHM O=[S@@](Cc1nc2ccccc2s1)c1cccc([O-])c1 ZINC000184028290 374483759 /nfs/dbraw/zinc/48/37/59/374483759.db2.gz POMNEDIGOFFTNF-IBGZPJMESA-N -1 3 289.381 3.310 20 0 CGADHM O=[S@@](Cc1cccc(Cl)c1)c1cccc([O-])c1 ZINC000184039720 374483883 /nfs/dbraw/zinc/48/38/83/374483883.db2.gz NHRVWGHJWMNWML-KRWDZBQOSA-N -1 3 266.749 3.353 20 0 CGADHM C[C@@H](c1ccccc1)N(C)CCOc1ccccc1C(=O)[O-] ZINC000183911386 374472762 /nfs/dbraw/zinc/47/27/62/374472762.db2.gz AGTSXZOUCFCCJF-AWEZNQCLSA-N -1 3 299.370 3.457 20 0 CGADHM C[C@@H](NCc1cc([O-])cc(F)c1)c1ccc2c(c1)OCO2 ZINC000184137151 374497460 /nfs/dbraw/zinc/49/74/60/374497460.db2.gz AOGPUGRFBBTFAB-SNVBAGLBSA-N -1 3 289.306 3.111 20 0 CGADHM C[C@@H](CC1CCCCC1)C(=O)NCc1ncccc1[O-] ZINC000331027096 374497891 /nfs/dbraw/zinc/49/78/91/374497891.db2.gz VWYSGZXUIPGBES-LBPRGKRZSA-N -1 3 276.380 3.010 20 0 CGADHM Cc1cnn(-c2ccncc2NCc2cc([O-])cc(F)c2)c1 ZINC000185608072 374697240 /nfs/dbraw/zinc/69/72/40/374697240.db2.gz LNZSUTZJDSYKMO-UHFFFAOYSA-N -1 3 298.321 3.033 20 0 CGADHM O=C([N-][C@@H]1CCSc2ccc(Cl)cc21)C(F)F ZINC000185552942 374686616 /nfs/dbraw/zinc/68/66/16/374686616.db2.gz PVTNMNDBNFUODN-MRVPVSSYSA-N -1 3 277.723 3.258 20 0 CGADHM CC(C)c1csc(CNCc2cc([O-])cc(F)c2)n1 ZINC000185579787 374691274 /nfs/dbraw/zinc/69/12/74/374691274.db2.gz DKNZUFJSVLABAE-UHFFFAOYSA-N -1 3 280.368 3.401 20 0 CGADHM CCc1noc(C)c1[N-]C(=O)c1c(F)ccc(C)c1F ZINC000334411293 374726630 /nfs/dbraw/zinc/72/66/30/374726630.db2.gz KDYHSZAOCSHBCF-UHFFFAOYSA-N -1 3 280.274 3.384 20 0 CGADHM CCc1cccc(C(=O)N(C)c2ccccc2OC)c1[O-] ZINC000094031448 541984406 /nfs/dbraw/zinc/98/44/06/541984406.db2.gz AOGKTODMMKPTBA-UHFFFAOYSA-N -1 3 285.343 3.240 20 0 CGADHM CCCn1cc(C(=O)N2CC[C@H](C)c3cccc([O-])c32)cn1 ZINC000186263595 374822472 /nfs/dbraw/zinc/82/24/72/374822472.db2.gz FXDLBXVHSGKTSP-LBPRGKRZSA-N -1 3 299.374 3.153 20 0 CGADHM CCCCn1cc(C(=O)Nc2cc(F)ccc2[O-])c(C)n1 ZINC000186259494 374822562 /nfs/dbraw/zinc/82/25/62/374822562.db2.gz TZMOFSCHBXCLMM-UHFFFAOYSA-N -1 3 291.326 3.089 20 0 CGADHM CC(C)n1cnc(C(=O)Nc2cc(Cl)ccc2[O-])c1 ZINC000334536997 374833254 /nfs/dbraw/zinc/83/32/54/374833254.db2.gz RUBRGPXFCQMQDJ-UHFFFAOYSA-N -1 3 279.727 3.075 20 0 CGADHM CCSCc1cc(C(=O)Nc2cccc([O-])c2F)no1 ZINC000186278508 374825175 /nfs/dbraw/zinc/82/51/75/374825175.db2.gz OUDPUMMMPLROQO-UHFFFAOYSA-N -1 3 296.323 3.025 20 0 CGADHM C[C@H]1CCN(C(=O)COc2ccccc2)c2c([O-])cccc21 ZINC000186298449 374828745 /nfs/dbraw/zinc/82/87/45/374828745.db2.gz NLPWIQJEIRKNPI-ZDUSSCGKSA-N -1 3 297.354 3.311 20 0 CGADHM O=C(N[C@@H]1CCC[C@@H]1F)c1cc([O-])ccc1C(F)(F)F ZINC000334476039 374781718 /nfs/dbraw/zinc/78/17/18/374781718.db2.gz MXUBVDYQXPVOQN-WDEREUQCSA-N -1 3 291.244 3.031 20 0 CGADHM Cc1cccc(C(=O)Nc2cnn([C@@H](C)C3CC3)c2)c1[O-] ZINC000186340610 374835118 /nfs/dbraw/zinc/83/51/18/374835118.db2.gz TYPQWKUSDSCENF-NSHDSACASA-N -1 3 285.347 3.120 20 0 CGADHM COc1ccc(NC(=O)c2cn[n-]c2-c2ccsc2)cc1 ZINC000186933463 374939506 /nfs/dbraw/zinc/93/95/06/374939506.db2.gz FQCDUIPDLIIYMZ-UHFFFAOYSA-N -1 3 299.355 3.399 20 0 CGADHM COc1ccc(NC(=O)c2c[n-]nc2-c2ccsc2)cc1 ZINC000186933463 374939512 /nfs/dbraw/zinc/93/95/12/374939512.db2.gz FQCDUIPDLIIYMZ-UHFFFAOYSA-N -1 3 299.355 3.399 20 0 CGADHM O=C(c1ccccc1[O-])N1CCC(c2ccsc2)CC1 ZINC000187994292 375135513 /nfs/dbraw/zinc/13/55/13/375135513.db2.gz MPQKICKPUNLIGF-UHFFFAOYSA-N -1 3 287.384 3.474 20 0 CGADHM Cc1cccc([O-])c1NC(=O)[C@@H]1CCC[C@@H](F)C1 ZINC000335083252 375115995 /nfs/dbraw/zinc/11/59/95/375115995.db2.gz IADRSZWGXJIGFW-GHMZBOCLSA-N -1 3 251.301 3.167 20 0 CGADHM CCc1cc(C(=O)N2CCC[C@@H](C(C)C)C2)ccc1[O-] ZINC000487400075 375238122 /nfs/dbraw/zinc/23/81/22/375238122.db2.gz ZCLXHKVEDABKTD-OAHLLOKOSA-N -1 3 275.392 3.463 20 0 CGADHM Cc1sccc1CC(=O)Nc1ccc(C)cc1[O-] ZINC000335227019 375244617 /nfs/dbraw/zinc/24/46/17/375244617.db2.gz ZAAVSZPQCJYPCK-UHFFFAOYSA-N -1 3 261.346 3.252 20 0 CGADHM CCc1ccc(C(=O)Nc2ccc(NC(C)=O)cc2)c([O-])c1 ZINC000188379748 375206674 /nfs/dbraw/zinc/20/66/74/375206674.db2.gz HJVCWHLQQGJGFQ-UHFFFAOYSA-N -1 3 298.342 3.165 20 0 CGADHM CCc1ccc(C(=O)N(C)Cc2ccc(C)o2)c([O-])c1 ZINC000188548960 375230854 /nfs/dbraw/zinc/23/08/54/375230854.db2.gz WDJICZDDUQSJCZ-UHFFFAOYSA-N -1 3 273.332 3.128 20 0 CGADHM CCc1ccccc1CC(=O)Nc1cccc([O-])c1F ZINC000188835457 375278450 /nfs/dbraw/zinc/27/84/50/375278450.db2.gz QGEAISNBXXVCPD-UHFFFAOYSA-N -1 3 273.307 3.275 20 0 CGADHM CN(Cc1nc(=O)c2sccc2[n-]1)[C@H]1CCC(C)(C)C1 ZINC000335707284 375363351 /nfs/dbraw/zinc/36/33/51/375363351.db2.gz XDBPVCMNQLKRLW-JTQLQIEISA-N -1 3 291.420 3.407 20 0 CGADHM Cc1ccc(CO)cc1NC(=O)c1cc([O-])ccc1Cl ZINC000335797601 375439167 /nfs/dbraw/zinc/43/91/67/375439167.db2.gz JZCATDVUYHKRGV-UHFFFAOYSA-N -1 3 291.734 3.099 20 0 CGADHM CCCCOc1ccc(C(=O)N(C)CC2CC2)c([O-])c1 ZINC000190156421 375480909 /nfs/dbraw/zinc/48/09/09/375480909.db2.gz ZFTPEJOWWWCNFJ-UHFFFAOYSA-N -1 3 277.364 3.053 20 0 CGADHM CCCCOc1ccc(C(=O)N2CC[C@H](C)[C@H]2C)c([O-])c1 ZINC000190579841 375522673 /nfs/dbraw/zinc/52/26/73/375522673.db2.gz ZPGOHDBCHTYQPO-QWHCGFSZSA-N -1 3 291.391 3.442 20 0 CGADHM Cc1ccc(CC[S@](=O)c2cccc([O-])c2)cc1 ZINC000191200264 375594792 /nfs/dbraw/zinc/59/47/92/375594792.db2.gz ZVYRZUSUQOBTDU-SFHVURJKSA-N -1 3 260.358 3.051 20 0 CGADHM Cc1ccc(C(=O)N=c2cc(-c3ccccc3)[n-][nH]2)c(C)c1 ZINC000497869186 375614576 /nfs/dbraw/zinc/61/45/76/375614576.db2.gz RRIFICOHMQOOLK-UHFFFAOYSA-N -1 3 291.354 3.368 20 0 CGADHM Cc1ccccc1-c1cc(=NC(=O)[C@]2(C)C[C@H]3C[C@H]3C2)[nH][n-]1 ZINC000497732693 375608222 /nfs/dbraw/zinc/60/82/22/375608222.db2.gz OJBVVYJCHNBWPZ-IVWMJMPLSA-N -1 3 295.386 3.182 20 0 CGADHM Cc1cccc([O-])c1NC(=O)[C@@H]1CC(=O)c2ccccc21 ZINC000336075210 375665414 /nfs/dbraw/zinc/66/54/14/375665414.db2.gz DLQJLMFERYBHHU-CYBMUJFWSA-N -1 3 281.311 3.009 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CCC(c3ccncc3)CC2)c1 ZINC000192294274 375728095 /nfs/dbraw/zinc/72/80/95/375728095.db2.gz GVISCZZKCPAKJA-UHFFFAOYSA-N -1 3 296.370 3.115 20 0 CGADHM [O-]c1cc(F)cc(CN2CCC(c3nccs3)CC2)c1 ZINC000336566172 375836785 /nfs/dbraw/zinc/83/67/85/375836785.db2.gz YGJKGZIHNFTUQK-UHFFFAOYSA-N -1 3 292.379 3.367 20 0 CGADHM Cc1cc(C(=O)Nc2cc(Cl)cc(C)c2[O-])ccn1 ZINC000519418529 375837107 /nfs/dbraw/zinc/83/71/07/375837107.db2.gz IJVZIINCWLRGPU-UHFFFAOYSA-N -1 3 276.723 3.310 20 0 CGADHM CC1(C)C[C@H]1CN=c1[n-]cc(C(F)(F)F)s1 ZINC000336779944 375934652 /nfs/dbraw/zinc/93/46/52/375934652.db2.gz PWVMGNDDUXWSPN-LURJTMIESA-N -1 3 250.289 3.042 20 0 CGADHM COc1cccc(CNCc2cccc([O-])c2Cl)c1 ZINC000336900488 376025996 /nfs/dbraw/zinc/02/59/96/376025996.db2.gz RVFAQIRVULSQAF-UHFFFAOYSA-N -1 3 277.751 3.344 20 0 CGADHM CCCCS[C@H](C)C(=O)Nc1cccc([O-])c1F ZINC000535659536 376046010 /nfs/dbraw/zinc/04/60/10/376046010.db2.gz ZBMVUIMRLWZAAD-SECBINFHSA-N -1 3 271.357 3.392 20 0 CGADHM Cc1ccc(C(=O)N2CCC[C@H]2c2ccccn2)c([O-])c1C ZINC000536689179 376120631 /nfs/dbraw/zinc/12/06/31/376120631.db2.gz JVGLBQDCHOSYRJ-INIZCTEOSA-N -1 3 296.370 3.381 20 0 CGADHM COc1ccc(/C=C\C(=O)Nc2ccc([O-])cc2F)cc1 ZINC000211219271 376133339 /nfs/dbraw/zinc/13/33/39/376133339.db2.gz HNYYZLKZBXMRRP-WTKPLQERSA-N -1 3 287.290 3.192 20 0 CGADHM CCc1cccc(C(=O)Nc2cc(F)ccc2OC)c1[O-] ZINC000538814936 376274795 /nfs/dbraw/zinc/27/47/95/376274795.db2.gz XCUSEYNQBFFGMB-UHFFFAOYSA-N -1 3 289.306 3.355 20 0 CGADHM Cc1nc(C)c(-c2nc(-c3ccc([O-])cc3)no2)s1 ZINC000225259485 376299683 /nfs/dbraw/zinc/29/96/83/376299683.db2.gz CGGNIAYRPTVYFG-UHFFFAOYSA-N -1 3 273.317 3.183 20 0 CGADHM Cc1cc(C(=O)NCCC2=CCCCC2)ccc1[O-] ZINC000226713567 376369468 /nfs/dbraw/zinc/36/94/68/376369468.db2.gz MRQHCWOXJXEFMY-UHFFFAOYSA-N -1 3 259.349 3.321 20 0 CGADHM Cc1cc(C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)ccc1[O-] ZINC000226952177 376376701 /nfs/dbraw/zinc/37/67/01/376376701.db2.gz KORJQNHDWKUITQ-VHRBIJSZSA-N -1 3 261.365 3.255 20 0 CGADHM Cc1cc(C(=O)Nc2ccc(F)c(F)c2)ccc1[O-] ZINC000226951678 376376913 /nfs/dbraw/zinc/37/69/13/376376913.db2.gz JCPSYJIXVCGYBR-UHFFFAOYSA-N -1 3 263.243 3.231 20 0 CGADHM Cc1cc(C(=O)N(C)CCc2ccccc2)ccc1[O-] ZINC000227017027 376377485 /nfs/dbraw/zinc/37/74/85/376377485.db2.gz IMTVBJNWTCJNSZ-UHFFFAOYSA-N -1 3 269.344 3.015 20 0 CGADHM COc1ccc([O-])c(C(=O)N(C)Cc2sccc2C)c1 ZINC000338745400 376511414 /nfs/dbraw/zinc/51/14/14/376511414.db2.gz QIKCHIMJLIRTQM-UHFFFAOYSA-N -1 3 291.372 3.043 20 0 CGADHM CC(C)(C)[C@@H](NC(=O)c1cccc([O-])c1)C(F)(F)F ZINC000541887021 376491336 /nfs/dbraw/zinc/49/13/36/376491336.db2.gz LBJXXAPCJDCQDK-LLVKDONJSA-N -1 3 275.270 3.099 20 0 CGADHM C[C@@H]1CCC[C@H]1CNC(=O)c1cc([O-])ccc1Cl ZINC000230688311 376532632 /nfs/dbraw/zinc/53/26/32/376532632.db2.gz DXODARBHEMQBCL-ZJUUUORDSA-N -1 3 267.756 3.212 20 0 CGADHM C[C@@H]1CCC[C@@H]1CNC(=O)c1cc([O-])ccc1Cl ZINC000230688303 376533112 /nfs/dbraw/zinc/53/31/12/376533112.db2.gz DXODARBHEMQBCL-NXEZZACHSA-N -1 3 267.756 3.212 20 0 CGADHM CC(C)C(C)(C)CNC(=O)c1cc([O-])ccc1Cl ZINC000232657036 376585510 /nfs/dbraw/zinc/58/55/10/376585510.db2.gz LWFAMISNEWHZFF-UHFFFAOYSA-N -1 3 269.772 3.458 20 0 CGADHM CCc1noc(C)c1[N-]C(=O)c1ccc(C(C)=O)s1 ZINC000339082177 376667984 /nfs/dbraw/zinc/66/79/84/376667984.db2.gz CSDVLSBRAWNGIC-UHFFFAOYSA-N -1 3 278.333 3.062 20 0 CGADHM COc1cccc(Cl)c1CNCCCCCC(=O)[O-] ZINC000234910279 376622911 /nfs/dbraw/zinc/62/29/11/376622911.db2.gz CANMXVCNLFVUQT-UHFFFAOYSA-N -1 3 285.771 3.083 20 0 CGADHM COc1cccc(Cl)c1CNCc1nc(C)ccc1[O-] ZINC000234921116 376624348 /nfs/dbraw/zinc/62/43/48/376624348.db2.gz SIGZBZXJBIXCOE-UHFFFAOYSA-N -1 3 292.766 3.047 20 0 CGADHM CS[C@@H]1CCC[C@@H](NC(=O)c2cc([O-])ccc2Cl)C1 ZINC000235155338 376631786 /nfs/dbraw/zinc/63/17/86/376631786.db2.gz WUNHPYGDIFERDS-MWLCHTKSSA-N -1 3 299.823 3.450 20 0 CGADHM C[C@@H]1CCCN(Cc2ccc(Cl)c(F)c2)[C@@H]1C(=O)[O-] ZINC000235318541 376637364 /nfs/dbraw/zinc/63/73/64/376637364.db2.gz HEVZMSPIIYUIIR-RNCFNFMXSA-N -1 3 285.746 3.164 20 0 CGADHM O=C(c1cc([O-])ccc1Cl)N(CC1CC1)CC1CC1 ZINC000236601227 376670009 /nfs/dbraw/zinc/67/00/09/376670009.db2.gz JZYFGHXVQASANR-UHFFFAOYSA-N -1 3 279.767 3.308 20 0 CGADHM CCOc1ccc(C=Cc2nc(C)cc(=O)[n-]2)cc1 ZINC000339115970 376689100 /nfs/dbraw/zinc/68/91/00/376689100.db2.gz WCDNPXSIZDDHFU-TWGQIWQCSA-N -1 3 256.305 3.060 20 0 CGADHM COc1ccc(NC(=O)c2c(C)oc(C)c2C)c([O-])c1 ZINC000135415287 542087261 /nfs/dbraw/zinc/08/72/61/542087261.db2.gz AVWHVFCXDZMFLQ-UHFFFAOYSA-N -1 3 275.304 3.171 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])c1ccc(C2CC2)cn1 ZINC000340326797 377001794 /nfs/dbraw/zinc/00/17/94/377001794.db2.gz DOGJAIKHCGUWBF-UHFFFAOYSA-N -1 3 272.279 3.056 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)CCc2nccs2)c1[O-] ZINC000340329268 377005985 /nfs/dbraw/zinc/00/59/85/377005985.db2.gz IHBXJAVYFIZTQF-UHFFFAOYSA-N -1 3 296.779 3.382 20 0 CGADHM CCc1cccc(C(=O)N[C@H](C2CC2)C(F)(F)F)c1[O-] ZINC000559097943 377065409 /nfs/dbraw/zinc/06/54/09/377065409.db2.gz XWCMBRZPFAXZHU-GFCCVEGCSA-N -1 3 287.281 3.025 20 0 CGADHM CCC[C@@H](C)N(C)C(=O)c1c[n-]c2ccc(C)cc2c1=O ZINC000340732963 377239872 /nfs/dbraw/zinc/23/98/72/377239872.db2.gz BZCSMASIBYSKDI-GFCCVEGCSA-N -1 3 286.375 3.097 20 0 CGADHM CCC[C@@H](CC)S(=O)(=O)[N-]c1ccccc1OC ZINC000562498213 377316132 /nfs/dbraw/zinc/31/61/32/377316132.db2.gz DCCGUJMSEXPWNS-LLVKDONJSA-N -1 3 271.382 3.016 20 0 CGADHM CCC1(CNC(=O)c2c[n-]nc2-c2ccccn2)CCCC1 ZINC000562164852 377280707 /nfs/dbraw/zinc/28/07/07/377280707.db2.gz KMOTVYPPBDERJM-UHFFFAOYSA-N -1 3 298.390 3.172 20 0 CGADHM COc1ccc([O-])c(-c2nc([C@@H]3CCCS3)no2)c1 ZINC000161646924 542159818 /nfs/dbraw/zinc/15/98/18/542159818.db2.gz VXAQRTSHZKWVQI-NSHDSACASA-N -1 3 278.333 3.019 20 0 CGADHM CCN(CCc1nccs1)[C@H](C)c1ccc(C(=O)[O-])o1 ZINC000563282606 377435082 /nfs/dbraw/zinc/43/50/82/377435082.db2.gz IXJQIERSTOSDKZ-SNVBAGLBSA-N -1 3 294.376 3.060 20 0 CGADHM O=C(c1ccccc1F)N1CCCc2cccc([O-])c21 ZINC000063063745 296261627 /nfs/dbraw/zinc/26/16/27/296261627.db2.gz YTSOBFHRNIJFIY-UHFFFAOYSA-N -1 3 271.291 3.124 20 0 CGADHM CCC(C)(C)OCC(=O)Nc1c([O-])cccc1Cl ZINC000563396228 377455807 /nfs/dbraw/zinc/45/58/07/377455807.db2.gz IXVKGADUROUPCV-UHFFFAOYSA-N -1 3 271.744 3.189 20 0 CGADHM COc1csc(-c2nc(-c3ccc([O-])cc3)no2)c1 ZINC000093327121 249037595 /nfs/dbraw/zinc/03/75/95/249037595.db2.gz DFEGCXSROCZWID-UHFFFAOYSA-N -1 3 274.301 3.179 20 0 CGADHM CCN(C(=O)c1cc(C)cc(OC)c1[O-])c1ccccc1 ZINC000093941809 249039169 /nfs/dbraw/zinc/03/91/69/249039169.db2.gz KPVOFGHDBRAICZ-UHFFFAOYSA-N -1 3 285.343 3.376 20 0 CGADHM Cc1ccc(C(=O)Nc2ccc(-c3ncc[nH]3)cc2)c([O-])c1 ZINC000094074956 249039204 /nfs/dbraw/zinc/03/92/04/249039204.db2.gz CEZPRQUGOMETPT-UHFFFAOYSA-N -1 3 293.326 3.343 20 0 CGADHM Cc1cc(NCC2(C(=O)[O-])CCC2)c2ccccc2n1 ZINC000166683183 542174507 /nfs/dbraw/zinc/17/45/07/542174507.db2.gz YJXDOKGCPHQKNX-UHFFFAOYSA-N -1 3 270.332 3.210 20 0 CGADHM Cc1ccc(C[C@H](C)N(C)Cc2cc(C(=O)[O-])co2)cc1 ZINC000573733782 377569419 /nfs/dbraw/zinc/56/94/19/377569419.db2.gz LSANMWWHBJFGKP-ZDUSSCGKSA-N -1 3 287.359 3.349 20 0 CGADHM Cc1nc2c(s1)[C@H](N(C)Cc1ncccc1[O-])CCC2 ZINC000514633922 249182848 /nfs/dbraw/zinc/18/28/48/249182848.db2.gz RZDFKWMBYYGRSE-CYBMUJFWSA-N -1 3 289.404 3.062 20 0 CGADHM COc1ccc(C(=O)NCc2cc3ccccc3o2)c([O-])c1 ZINC000515429403 249210938 /nfs/dbraw/zinc/21/09/38/249210938.db2.gz LUFJOHULBVOJLL-UHFFFAOYSA-N -1 3 297.310 3.077 20 0 CGADHM CCc1oc(C(=O)[O-])cc1CN1CC[C@@H](C)[C@H](C)C1 ZINC000515660121 249218268 /nfs/dbraw/zinc/21/82/68/249218268.db2.gz MYBYJUKVQJAZRS-GHMZBOCLSA-N -1 3 265.353 3.018 20 0 CGADHM CCC[C@@H]1CCCN(Cc2cc(C(=O)[O-])c(C)o2)C1 ZINC000518546710 249282756 /nfs/dbraw/zinc/28/27/56/249282756.db2.gz NNQNQDMHPDPZPK-GFCCVEGCSA-N -1 3 265.353 3.298 20 0 CGADHM CC(C)(C)CCCC[N-]S(=O)(=O)c1ccccc1F ZINC000517870293 249272930 /nfs/dbraw/zinc/27/29/30/249272930.db2.gz WZWYPAYVBLGOOK-UHFFFAOYSA-N -1 3 287.400 3.320 20 0 CGADHM O=C([O-])[C@H]1CCCN([C@H]2CCc3ccc(Cl)cc32)C1 ZINC000574458257 377665188 /nfs/dbraw/zinc/66/51/88/377665188.db2.gz BXZSOHBTRUXBFZ-FZMZJTMJSA-N -1 3 279.767 3.124 20 0 CGADHM CS[C@@H]1CCCCN(Cc2ccc(C(=O)[O-])cc2F)C1 ZINC000574578917 377683441 /nfs/dbraw/zinc/68/34/41/377683441.db2.gz WAIKWNQUGPTHKE-CYBMUJFWSA-N -1 3 297.395 3.241 20 0 CGADHM O=C(/C=C\c1cncc([O-])c1)Nc1ccc(Cl)cc1F ZINC000255659785 377774005 /nfs/dbraw/zinc/77/40/05/377774005.db2.gz WSVQFJUPMSNPRF-RJRFIUFISA-N -1 3 292.697 3.232 20 0 CGADHM Cc1cc(Cl)cc(CN2C[C@H](C)C[C@H](C(=O)[O-])C2)c1 ZINC000263081748 377917768 /nfs/dbraw/zinc/91/77/68/377917768.db2.gz RVYVGLPZSSPDTC-YPMHNXCESA-N -1 3 281.783 3.191 20 0 CGADHM Cc1cc(Cl)cc(CN2C[C@@H](C)C[C@H](C(=O)[O-])C2)c1 ZINC000263081745 377918508 /nfs/dbraw/zinc/91/85/08/377918508.db2.gz RVYVGLPZSSPDTC-AAEUAGOBSA-N -1 3 281.783 3.191 20 0 CGADHM C[C@H](c1c(F)cccc1F)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000263328174 377925768 /nfs/dbraw/zinc/92/57/68/377925768.db2.gz KYDGSRGVLOKNHS-MXWKQRLJSA-N -1 3 283.318 3.068 20 0 CGADHM Cc1ccc(CN2C[C@H](C(=O)[O-])CC[C@@H]2C)cc1Cl ZINC000263490807 377941286 /nfs/dbraw/zinc/94/12/86/377941286.db2.gz IMFMCQVXGZTJEY-WCQYABFASA-N -1 3 281.783 3.334 20 0 CGADHM CC(C)(C)[C@H]1CCCN1Cc1nc(=O)c2sccc2[n-]1 ZINC000264181328 377961482 /nfs/dbraw/zinc/96/14/82/377961482.db2.gz KFTHYKNWBXGCNF-LLVKDONJSA-N -1 3 291.420 3.407 20 0 CGADHM CC[C@H](C)[C@@H](C)N(C(=O)c1cccc(OC)c1[O-])C1CC1 ZINC000264358292 377979564 /nfs/dbraw/zinc/97/95/64/377979564.db2.gz HBLPQUQOJWSROC-NWDGAFQWSA-N -1 3 291.391 3.440 20 0 CGADHM CC[C@H]1Cc2ccccc2CN1Cc1ccc(C(=O)[O-])cn1 ZINC000578515007 378077421 /nfs/dbraw/zinc/07/74/21/378077421.db2.gz HAJRNKJTCZFVAV-KRWDZBQOSA-N -1 3 296.370 3.117 20 0 CGADHM Cc1ccc(CN(C)Cc2csc(C(=O)[O-])c2)cc1 ZINC000579240218 378143182 /nfs/dbraw/zinc/14/31/82/378143182.db2.gz GEMGXKYURLGYIW-UHFFFAOYSA-N -1 3 275.373 3.387 20 0 CGADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H]3CC[C@@H]3C)nc2)n1 ZINC000343807099 378097729 /nfs/dbraw/zinc/09/77/29/378097729.db2.gz KDMCJXSHNQUJNJ-GWCFXTLKSA-N -1 3 284.363 3.017 20 0 CGADHM CCC(CC)n1ccc(C[S@@](=O)c2ccc([O-])cc2)n1 ZINC000269346850 378209647 /nfs/dbraw/zinc/20/96/47/378209647.db2.gz LSXRPEYDJZTQMS-HXUWFJFHSA-N -1 3 292.404 3.258 20 0 CGADHM COc1cccc2c1n[n-]c2C(=O)Nc1ccccc1C ZINC000345177820 378214251 /nfs/dbraw/zinc/21/42/51/378214251.db2.gz IONYWOMZZVRKAG-UHFFFAOYSA-N -1 3 281.315 3.132 20 0 CGADHM COc1cccc2c(C(=O)Nc3ccccc3C)n[n-]c21 ZINC000345177820 378214257 /nfs/dbraw/zinc/21/42/57/378214257.db2.gz IONYWOMZZVRKAG-UHFFFAOYSA-N -1 3 281.315 3.132 20 0 CGADHM O=C(NCC1(C2CC2)CCC1)c1cc(=O)c2ccccc2[n-]1 ZINC000269791160 378267806 /nfs/dbraw/zinc/26/78/06/378267806.db2.gz GJELUNLBLFRHMQ-UHFFFAOYSA-N -1 3 296.370 3.251 20 0 CGADHM C[C@H](CC1CC1)NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000345457926 378287872 /nfs/dbraw/zinc/28/78/72/378287872.db2.gz ZZPAPKZGKDGVDI-LLVKDONJSA-N -1 3 279.355 3.159 20 0 CGADHM COc1cc(Cl)ccc1CN1CCC[C@](C)(C(=O)[O-])C1 ZINC000580201703 378231905 /nfs/dbraw/zinc/23/19/05/378231905.db2.gz ACAPFFSCFRNZQA-HNNXBMFYSA-N -1 3 297.782 3.035 20 0 CGADHM C[C@@H]1CC[C@H](C(=O)Nc2cc(Cl)ccc2[O-])C1 ZINC000345567435 378312671 /nfs/dbraw/zinc/31/26/71/378312671.db2.gz BJWXFIBOJSLOMA-BDAKNGLRSA-N -1 3 253.729 3.420 20 0 CGADHM CCC[C@@H](CC)S(=O)(=O)[N-]c1cc(F)c(F)c(F)c1 ZINC000583266695 378316182 /nfs/dbraw/zinc/31/61/82/378316182.db2.gz SYXOFZIEPIYFRD-SECBINFHSA-N -1 3 295.326 3.424 20 0 CGADHM C[C@@H](CN1CCC[C@H](CC(=O)[O-])C1)c1cc(F)cc(F)c1 ZINC000583919093 378358179 /nfs/dbraw/zinc/35/81/79/378358179.db2.gz PMLXDJZNEMZVFM-NWDGAFQWSA-N -1 3 297.345 3.255 20 0 CGADHM CC(C)CN(C)Cc1oc(-c2ccccc2)nc1C(=O)[O-] ZINC000583940209 378359838 /nfs/dbraw/zinc/35/98/38/378359838.db2.gz URFHRLCKRYFJHJ-UHFFFAOYSA-N -1 3 288.347 3.128 20 0 CGADHM Cc1cncc(NC(=O)CCCc2ccc([O-])c(F)c2)c1 ZINC000345741963 378360880 /nfs/dbraw/zinc/36/08/80/378360880.db2.gz NGWWUWYVYHBJAZ-UHFFFAOYSA-N -1 3 288.322 3.196 20 0 CGADHM CCC1(CNC(=O)CCCc2ccc([O-])c(F)c2)CC1 ZINC000345749710 378360914 /nfs/dbraw/zinc/36/09/14/378360914.db2.gz ZEORYUVEXXEBSC-UHFFFAOYSA-N -1 3 279.355 3.160 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)C2SCCS2)c1[O-] ZINC000270843777 378404572 /nfs/dbraw/zinc/40/45/72/378404572.db2.gz KXSRGDNCOKCFGP-UHFFFAOYSA-N -1 3 289.809 3.099 20 0 CGADHM CC[C@H](CC(=O)Nc1nc(C)ccc1[O-])C(C)C ZINC000345925657 378410505 /nfs/dbraw/zinc/41/05/05/378410505.db2.gz KLLULLXYLXOIJC-LLVKDONJSA-N -1 3 250.342 3.106 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2ccccc2OC(C)C)n1 ZINC000345929240 378412411 /nfs/dbraw/zinc/41/24/11/378412411.db2.gz OBYUEUDSHWTRTO-UHFFFAOYSA-N -1 3 286.331 3.135 20 0 CGADHM CSc1ccc(CN2CC[C@@H](C)[C@@H](C(=O)[O-])C2)s1 ZINC000584053232 378369714 /nfs/dbraw/zinc/36/97/14/378369714.db2.gz CKYCYRJRHWSNCI-KOLCDFICSA-N -1 3 285.434 3.013 20 0 CGADHM Cc1ccc([O-])c(NC(=O)CCc2cc3ccccc3o2)n1 ZINC000345937920 378414887 /nfs/dbraw/zinc/41/48/87/378414887.db2.gz XFYGRQXJZQZCIR-UHFFFAOYSA-N -1 3 296.326 3.413 20 0 CGADHM CC(C)Oc1cc([N-]C(=O)c2ocnc2C(F)F)ccn1 ZINC000637137525 378461338 /nfs/dbraw/zinc/46/13/38/378461338.db2.gz PRXZYDBURNLMCZ-UHFFFAOYSA-N -1 3 297.261 3.047 20 0 CGADHM CC(C)(CC(=O)Nc1ccc([O-])cc1F)C1CC1 ZINC000345990737 378433032 /nfs/dbraw/zinc/43/30/32/378433032.db2.gz ROCLXUSLLGYRJK-UHFFFAOYSA-N -1 3 251.301 3.296 20 0 CGADHM CCOc1nc2cc(C(=O)N[C@H](C)[C@H](C)CC)ccc2[n-]1 ZINC000346377717 378560687 /nfs/dbraw/zinc/56/06/87/378560687.db2.gz FFXHIPVUJXMQJL-GHMZBOCLSA-N -1 3 289.379 3.126 20 0 CGADHM CCOc1nc2ccc(C(=O)N[C@H](C)[C@H](C)CC)cc2[n-]1 ZINC000346377717 378560694 /nfs/dbraw/zinc/56/06/94/378560694.db2.gz FFXHIPVUJXMQJL-GHMZBOCLSA-N -1 3 289.379 3.126 20 0 CGADHM O=C(Nc1ccc(Cl)cc1[O-])[C@@H]1CCCCS1 ZINC000272830187 378711321 /nfs/dbraw/zinc/71/13/21/378711321.db2.gz FISRUMAOGBEROZ-NSHDSACASA-N -1 3 271.769 3.270 20 0 CGADHM C[C@H]1CCN(C(=O)c2c[n-]c3ccccc3c2=O)CC1(C)C ZINC000274221744 378795218 /nfs/dbraw/zinc/79/52/18/378795218.db2.gz OUCSJBQPXPFVQK-LBPRGKRZSA-N -1 3 298.386 3.449 20 0 CGADHM CCOc1ccc(CNCc2cc([O-])cc(F)c2)cc1 ZINC000274403533 378826994 /nfs/dbraw/zinc/82/69/94/378826994.db2.gz GIARVZBSQRIMPP-UHFFFAOYSA-N -1 3 275.323 3.220 20 0 CGADHM CCCCN(C)C(=O)c1c[n-]c2ccc(C)cc2c1=O ZINC000278582545 194055455 /nfs/dbraw/zinc/05/54/55/194055455.db2.gz JTELELKXGPYVMD-UHFFFAOYSA-N -1 3 272.348 3.121 20 0 CGADHM COc1cc(C(=O)N2CCC[C@@H]2CCC(C)C)ccc1[O-] ZINC000276983218 379037262 /nfs/dbraw/zinc/03/72/62/379037262.db2.gz WJWSMZFFESCDDP-CQSZACIVSA-N -1 3 291.391 3.442 20 0 CGADHM O=C(c1cccc([O-])c1)N1CCC[C@@H](c2ccccc2)C1 ZINC000348917073 379109005 /nfs/dbraw/zinc/10/90/05/379109005.db2.gz HIPUYQQEPXOYDZ-MRXNPFEDSA-N -1 3 281.355 3.412 20 0 CGADHM COc1ccc(CN[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])cc1 ZINC000277303215 379125253 /nfs/dbraw/zinc/12/52/53/379125253.db2.gz MYDTZNSZSJKSJH-SUMWQHHRSA-N -1 3 299.370 3.247 20 0 CGADHM CC[C@@H](C)c1nnc([C@H](C)NCc2cc([O-])cc(F)c2)[nH]1 ZINC000277446447 379160799 /nfs/dbraw/zinc/16/07/99/379160799.db2.gz OWSMVQMAJFNJAH-ZJUUUORDSA-N -1 3 292.358 3.014 20 0 CGADHM Cc1ccc(CN[C@@H](Cc2cccc(Cl)c2)C(=O)[O-])o1 ZINC000277478918 379169787 /nfs/dbraw/zinc/16/97/87/379169787.db2.gz WOKVJSAKKQWUQE-AWEZNQCLSA-N -1 3 293.750 3.027 20 0 CGADHM CCOc1cc(-c2noc([C@@H](C)CC)n2)ccc1[O-] ZINC000277761592 379231056 /nfs/dbraw/zinc/23/10/56/379231056.db2.gz BPRAERONYIVIOQ-VIFPVBQESA-N -1 3 262.309 3.354 20 0 CGADHM C[C@@H](Cc1nc(-c2ccc([O-])cc2)no1)c1cccnc1 ZINC000350573379 379564496 /nfs/dbraw/zinc/56/44/96/379564496.db2.gz GGVBIVCONAVQKQ-NSHDSACASA-N -1 3 281.315 3.183 20 0 CGADHM CCc1ccc(-c2nc(-c3cncs3)no2)c([O-])c1 ZINC000350600713 379572293 /nfs/dbraw/zinc/57/22/93/379572293.db2.gz DHAQCRZCFXGNSZ-UHFFFAOYSA-N -1 3 273.317 3.128 20 0 CGADHM CSCCON=C([O-])Nc1ccc(C(C)C)cc1 ZINC000280104772 379608919 /nfs/dbraw/zinc/60/89/19/379608919.db2.gz CGOMJSJUFGKIOJ-UHFFFAOYSA-N -1 3 268.382 3.226 20 0 CGADHM CSCCO[N-]C(=O)Nc1ccc(C(C)C)cc1 ZINC000280104772 379608922 /nfs/dbraw/zinc/60/89/22/379608922.db2.gz CGOMJSJUFGKIOJ-UHFFFAOYSA-N -1 3 268.382 3.226 20 0 CGADHM Cc1ccc([O-])c(NC(=O)C(C)(C)c2cccs2)n1 ZINC000280123056 379612828 /nfs/dbraw/zinc/61/28/28/379612828.db2.gz OPNMQJXZKNAXIZ-UHFFFAOYSA-N -1 3 276.361 3.073 20 0 CGADHM CC(C)(c1nc(-c2ccc([O-])cc2)no1)C1CCOCC1 ZINC000280273175 379661118 /nfs/dbraw/zinc/66/11/18/379661118.db2.gz KYZNXRQYHGKYKB-UHFFFAOYSA-N -1 3 288.347 3.146 20 0 CGADHM C[C@@H]1CCN(Cc2c(F)ccc([O-])c2F)C[C@H]1C ZINC000351618898 379731271 /nfs/dbraw/zinc/73/12/71/379731271.db2.gz CCLUESWEVSACQL-NXEZZACHSA-N -1 3 255.308 3.148 20 0 CGADHM O=C(Nc1ccc2c(c1)CCCC2)c1cc(C(F)F)[n-]n1 ZINC000640378138 379781412 /nfs/dbraw/zinc/78/14/12/379781412.db2.gz UHPGGMMWWMFOHN-UHFFFAOYSA-N -1 3 291.301 3.478 20 0 CGADHM Cc1cccc([O-])c1NC(=O)C[C@@H](C)c1cccnc1 ZINC000352643059 379888728 /nfs/dbraw/zinc/88/87/28/379888728.db2.gz HYPJAKJVGYOOLB-GFCCVEGCSA-N -1 3 270.332 3.228 20 0 CGADHM CCOC(=O)c1csc(=NCCC2=CCCCC2)[n-]1 ZINC000389172607 379894254 /nfs/dbraw/zinc/89/42/54/379894254.db2.gz LBWQHQLWOAZDOO-UHFFFAOYSA-N -1 3 280.393 3.044 20 0 CGADHM O=C(c1ccccc1[O-])N(CC1CCC1)CC(F)(F)F ZINC000267679526 190347066 /nfs/dbraw/zinc/34/70/66/190347066.db2.gz BQHVQOLLRZSQFI-UHFFFAOYSA-N -1 3 287.281 3.197 20 0 CGADHM C[C@@H]1[C@@H](C)CCN1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000408345980 380005796 /nfs/dbraw/zinc/00/57/96/380005796.db2.gz HHRFWUKJEXXHLO-WDEREUQCSA-N -1 3 297.358 3.312 20 0 CGADHM C[C@H]1CCN(Cc2c(F)ccc([O-])c2F)CC1(F)F ZINC000353207960 380169104 /nfs/dbraw/zinc/16/91/04/380169104.db2.gz ZQQUISBMVKDYDL-QMMMGPOBSA-N -1 3 277.261 3.148 20 0 CGADHM O=C(Nc1ccccc1[O-])c1cc(-c2cccc(F)c2)no1 ZINC000642579251 380178272 /nfs/dbraw/zinc/17/82/72/380178272.db2.gz JPVREBZEXJVEPD-UHFFFAOYSA-N -1 3 298.273 3.439 20 0 CGADHM Cc1ccccc1[C@H](C)N(C)C(=O)c1ccc2n[n-]nc2c1 ZINC000354213530 380365997 /nfs/dbraw/zinc/36/59/97/380365997.db2.gz PITVPMOCZCEFOA-LBPRGKRZSA-N -1 3 294.358 3.100 20 0 CGADHM Cc1cc(C(=O)Nc2ccc(-c3ncc[nH]3)cc2)ccc1[O-] ZINC000354415080 380429938 /nfs/dbraw/zinc/42/99/38/380429938.db2.gz YRQZRLOFZSXPHT-UHFFFAOYSA-N -1 3 293.326 3.343 20 0 CGADHM CCc1cc(C(=O)N(C)c2ccccc2OC)ccc1[O-] ZINC000643955032 380399505 /nfs/dbraw/zinc/39/95/05/380399505.db2.gz MPQILMBTURZUSU-UHFFFAOYSA-N -1 3 285.343 3.240 20 0 CGADHM C[C@H](NCc1csc(Cl)c1Cl)[C@H](C)C(=O)[O-] ZINC000417606233 380648671 /nfs/dbraw/zinc/64/86/71/380648671.db2.gz JQKJVQVHKPYJAB-WDSKDSINSA-N -1 3 282.192 3.254 20 0 CGADHM [O-]c1cccc(CN[C@@H](CO)CC2CCCCC2)c1Cl ZINC000418122351 380705148 /nfs/dbraw/zinc/70/51/48/380705148.db2.gz DVZBYHRGIKKXAI-CQSZACIVSA-N -1 3 297.826 3.467 20 0 CGADHM Cc1cc(C(F)(F)F)ccc1CN[C@H]1C=C[C@H](C(=O)[O-])C1 ZINC000417622453 380655225 /nfs/dbraw/zinc/65/52/25/380655225.db2.gz OITBCKADRGYYTL-GWCFXTLKSA-N -1 3 299.292 3.133 20 0 CGADHM CC(C)=CCSC[C@@H](NCc1ccc(F)cc1)C(=O)[O-] ZINC000417626674 380656831 /nfs/dbraw/zinc/65/68/31/380656831.db2.gz ONEVIIDIZPADHQ-CQSZACIVSA-N -1 3 297.395 3.068 20 0 CGADHM CCc1cc(=O)[n-]c(CNC2(c3cccc(C)c3)CCC2)n1 ZINC000646021952 380802398 /nfs/dbraw/zinc/80/23/98/380802398.db2.gz PAAMZASAOJLFCG-UHFFFAOYSA-N -1 3 297.402 3.222 20 0 CGADHM [O-]c1cc(/C=C/c2ccncn2)cc(C(F)(F)F)c1 ZINC000357071039 381019424 /nfs/dbraw/zinc/01/94/24/381019424.db2.gz GHLWYKQEDAEBKY-OWOJBTEDSA-N -1 3 266.222 3.371 20 0 CGADHM CCCCN(C(=O)Cc1ccc([O-])cc1Cl)C1CC1 ZINC000357195579 381063630 /nfs/dbraw/zinc/06/36/30/381063630.db2.gz XFSIWDHZLNBQOJ-UHFFFAOYSA-N -1 3 281.783 3.379 20 0 CGADHM O=C(Nc1ccc(OCC(F)F)cc1)c1cccc([O-])c1 ZINC000357314033 381101604 /nfs/dbraw/zinc/10/16/04/381101604.db2.gz YFICSMAPSXQUML-UHFFFAOYSA-N -1 3 293.269 3.288 20 0 CGADHM CCc1cc(=O)[n-]c(CSCc2cc(F)ccc2F)n1 ZINC000357352009 381120606 /nfs/dbraw/zinc/12/06/06/381120606.db2.gz UBOWLGKKAILPNO-UHFFFAOYSA-N -1 3 296.342 3.456 20 0 CGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Cl)C1CC1 ZINC000362376952 381962943 /nfs/dbraw/zinc/96/29/43/381962943.db2.gz VQMQPZQDJIFFDT-SSDOTTSWSA-N -1 3 294.203 3.070 20 0 CGADHM CCSc1nccnc1C(=O)[N-]c1c(F)cccc1F ZINC000362337135 381947909 /nfs/dbraw/zinc/94/79/09/381947909.db2.gz ZUMVPRRUAOACBP-UHFFFAOYSA-N -1 3 295.314 3.119 20 0 CGADHM CCc1cc(C(=O)N2CC[C@@H](C)[C@@H](C)C2)ccc1[O-] ZINC000363002293 382175164 /nfs/dbraw/zinc/17/51/64/382175164.db2.gz TWGYQHVARLQWKJ-NEPJUHHUSA-N -1 3 261.365 3.073 20 0 CGADHM CC(C)(CNCc1cc(C(=O)[O-])co1)c1ccccc1 ZINC000228168049 542297216 /nfs/dbraw/zinc/29/72/16/542297216.db2.gz CKAHBOFBJCZIIC-UHFFFAOYSA-N -1 3 273.332 3.045 20 0 CGADHM COc1ccccc1[C@@H](C)NC(=O)c1ccc(C)cc1[O-] ZINC000436529156 532966437 /nfs/dbraw/zinc/96/64/37/532966437.db2.gz ZTZPAQDGIKIRMM-GFCCVEGCSA-N -1 3 285.343 3.200 20 0 CGADHM CC(C)(C)[C@H](NC(=O)c1csc(=O)[n-]1)c1ccccc1 ZINC000348979274 218785327 /nfs/dbraw/zinc/78/53/27/218785327.db2.gz TWWJFZSKVSIVEN-GFCCVEGCSA-N -1 3 290.388 3.366 20 0 CGADHM [O-]c1cccc(CN2CCC[C@@]3(CCOC3)C2)c1Cl ZINC000335384671 208332394 /nfs/dbraw/zinc/33/23/94/208332394.db2.gz NTNRHGZQDDAGNR-OAHLLOKOSA-N -1 3 281.783 3.048 20 0 CGADHM CCN(C[C@H]1CCCO1)C(=O)c1cc([O-])c2ccccc2c1 ZINC000279555839 542378905 /nfs/dbraw/zinc/37/89/05/542378905.db2.gz OKMHBHCNNLRYLP-OAHLLOKOSA-N -1 3 299.370 3.187 20 0 CGADHM C[C@H]([N-]C(=O)C(C)(F)F)c1ncc(-c2ccccc2)o1 ZINC000289271269 197280366 /nfs/dbraw/zinc/28/03/66/197280366.db2.gz RJIQJKKMHDBRDS-VIFPVBQESA-N -1 3 280.274 3.174 20 0 CGADHM Cc1cc(C(=O)Nc2cccc(-c3nnco3)c2)ccc1[O-] ZINC000353870386 220380438 /nfs/dbraw/zinc/38/04/38/220380438.db2.gz LAVUZPULJFLIQL-UHFFFAOYSA-N -1 3 295.298 3.003 20 0 CGADHM CO[C@](C)(c1noc(/C=C/c2cccc([O-])c2)n1)C1CC1 ZINC000353868629 220376453 /nfs/dbraw/zinc/37/64/53/220376453.db2.gz QPNCBMNUYSKCSB-FSNWXROXSA-N -1 3 286.331 3.217 20 0 CGADHM Cc1cccc(C(=O)N(C)Cc2ccccc2N(C)C)c1[O-] ZINC000288924178 197193548 /nfs/dbraw/zinc/19/35/48/197193548.db2.gz LYSRHCRTCFUDLX-UHFFFAOYSA-N -1 3 298.386 3.039 20 0 CGADHM COCCC(C)(C)CNC(=O)c1ccc(C(C)C)cc1[O-] ZINC000436958764 533175579 /nfs/dbraw/zinc/17/55/79/533175579.db2.gz KJNHOTNDJAHHHL-UHFFFAOYSA-N -1 3 293.407 3.308 20 0 CGADHM COC[C@@H]1CCCCN1Cc1cccc([O-])c1Cl ZINC000307766115 542422496 /nfs/dbraw/zinc/42/24/96/542422496.db2.gz DDEQAKHQLFJXJY-LBPRGKRZSA-N -1 3 269.772 3.047 20 0 CGADHM CC(C)C[C@H](C)CN1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000312165625 542432943 /nfs/dbraw/zinc/43/29/43/542432943.db2.gz CEHWVGNRQZKDKL-BBRMVZONSA-N -1 3 275.392 3.353 20 0 CGADHM O=C(Nc1cccc([O-])c1F)[C@H]1CC[C@@H](C(F)(F)F)C1 ZINC000335413815 542468446 /nfs/dbraw/zinc/46/84/46/542468446.db2.gz HYZVWJKLSADYGD-JGVFFNPUSA-N -1 3 291.244 3.448 20 0 CGADHM CO[C@H]1CCC[C@H](CC(=O)Nc2c(C)cccc2[O-])C1 ZINC000281238023 195162583 /nfs/dbraw/zinc/16/25/83/195162583.db2.gz PGFPJEWMELESSQ-STQMWFEESA-N -1 3 277.364 3.234 20 0 CGADHM CC1=C(C)CN(C(=O)c2cc(=O)c3ccccc3[n-]2)CC1 ZINC000281290229 195182847 /nfs/dbraw/zinc/18/28/47/195182847.db2.gz AGTUBMXXPDBUGW-UHFFFAOYSA-N -1 3 282.343 3.123 20 0 CGADHM COCCCO[N-]C(=O)Nc1c(C)cccc1C(C)C ZINC000286907978 196732239 /nfs/dbraw/zinc/73/22/39/196732239.db2.gz JYQAOSDHAGZDDD-UHFFFAOYSA-N -1 3 280.368 3.208 20 0 CGADHM C[C@@H]1CC[C@@H]1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000343953519 542502214 /nfs/dbraw/zinc/50/22/14/542502214.db2.gz KJSVCPAJYPZFQH-YGRLFVJLSA-N -1 3 255.317 3.074 20 0 CGADHM CCC[C@@H](CC1CCCC1)C(=O)[N-]C1=NCCS1 ZINC000733213329 572543744 /nfs/dbraw/zinc/54/37/44/572543744.db2.gz HGSODWDHAUVGCJ-LBPRGKRZSA-N -1 3 268.426 3.202 20 0 CGADHM CCc1cc(=O)[n-]c(CN2C[C@H](C)C[C@H]2c2ccccc2)n1 ZINC000353207377 542555227 /nfs/dbraw/zinc/55/52/27/542555227.db2.gz UNFRYRZCCBTIHG-CJNGLKHVSA-N -1 3 297.402 3.328 20 0 CGADHM O=c1[n-]c(-c2ccc(F)cn2)nc2ccc(Cl)cc12 ZINC000352205184 285399199 /nfs/dbraw/zinc/39/91/99/285399199.db2.gz DBNFELCHXAVPOO-UHFFFAOYSA-N -1 3 275.670 3.190 20 0 CGADHM COc1ccc(C(=O)N(C)Cc2cc(C)cc(C)c2)c([O-])c1 ZINC000436999538 533282660 /nfs/dbraw/zinc/28/26/60/533282660.db2.gz GESRNSYOSOTKDF-UHFFFAOYSA-N -1 3 299.370 3.290 20 0 CGADHM COc1ccc(C(=O)NC[C@H](C)c2cccc(C)c2)c([O-])c1 ZINC000436994061 533331804 /nfs/dbraw/zinc/33/18/04/533331804.db2.gz AFDBAFFARLNRES-ZDUSSCGKSA-N -1 3 299.370 3.243 20 0 CGADHM COc1cccc(C(=O)NCC[C@@H]2CCCC[C@@H]2C)c1[O-] ZINC000436643741 533408151 /nfs/dbraw/zinc/40/81/51/533408151.db2.gz FYGSIPJQXVHZHC-STQMWFEESA-N -1 3 291.391 3.347 20 0 CGADHM COc1cccc(C(=O)Nc2cccc3ccn(C)c32)c1[O-] ZINC000191596118 533419482 /nfs/dbraw/zinc/41/94/82/533419482.db2.gz NMRACEREJHMLRI-UHFFFAOYSA-N -1 3 296.326 3.145 20 0 CGADHM C[C@@H]1CCCC[C@H]1CNC(=O)Cc1ccc([O-])c(F)c1 ZINC000448795067 533596306 /nfs/dbraw/zinc/59/63/06/533596306.db2.gz OVPNALQYCNUXQJ-YPMHNXCESA-N -1 3 279.355 3.016 20 0 CGADHM Cc1sccc1CN[C@H](CC(=O)[O-])c1cccs1 ZINC000381222478 542597308 /nfs/dbraw/zinc/59/73/08/542597308.db2.gz GKOVUQSXXYIRAT-LLVKDONJSA-N -1 3 281.402 3.424 20 0 CGADHM O=C([O-])c1ccc(CNCc2scnc2C2CC2)cc1 ZINC000414681858 542637956 /nfs/dbraw/zinc/63/79/56/542637956.db2.gz NDFABXFPZFIIRU-UHFFFAOYSA-N -1 3 288.372 3.009 20 0 CGADHM O=C(NC[C@@H]1CC=CCC1)c1cc([O-])ccc1C(F)(F)F ZINC000192939807 130565285 /nfs/dbraw/zinc/56/52/85/130565285.db2.gz PAYSTMHTVMMYKB-SNVBAGLBSA-N -1 3 299.292 3.497 20 0 CGADHM CCCC1CCC(NC(=O)c2cccc(OC)c2[O-])CC1 ZINC000048769679 392012223 /nfs/dbraw/zinc/01/22/23/392012223.db2.gz LJROZWNQJOAHJH-UHFFFAOYSA-N -1 3 291.391 3.490 20 0 CGADHM COc1ccc([O-])c(C(=O)N2CCC[C@H]3CCCC[C@@H]32)c1 ZINC000052076972 392076683 /nfs/dbraw/zinc/07/66/83/392076683.db2.gz PQRMYSARNAQDDB-DOMZBBRYSA-N -1 3 289.375 3.196 20 0 CGADHM O=C(NCc1cccs1)c1cc2c(cc1[O-])CCCC2 ZINC000049179965 392037620 /nfs/dbraw/zinc/03/76/20/392037620.db2.gz ISMADKLCUPCZKV-UHFFFAOYSA-N -1 3 287.384 3.263 20 0 CGADHM COc1ccc(-c2nc(-c3ccc([O-])cc3)no2)cc1F ZINC000061669190 392128796 /nfs/dbraw/zinc/12/87/96/392128796.db2.gz QZWONQUPAAABDR-UHFFFAOYSA-N -1 3 286.262 3.257 20 0 CGADHM COc1cc(C)cc(C(=O)N2c3ccccc3C[C@H]2C)c1[O-] ZINC000093911341 392240779 /nfs/dbraw/zinc/24/07/79/392240779.db2.gz CHCRJUFEHRFIIU-GFCCVEGCSA-N -1 3 297.354 3.301 20 0 CGADHM O=C([O-])CCN(Cc1c(F)cccc1F)C1CCCC1 ZINC000238111493 131077008 /nfs/dbraw/zinc/07/70/08/131077008.db2.gz OIDAPVPXGOFRTG-UHFFFAOYSA-N -1 3 283.318 3.184 20 0 CGADHM CCOc1ccc(C(=O)Nc2ccc(OC)cc2[O-])cc1 ZINC000443556068 542666624 /nfs/dbraw/zinc/66/66/24/542666624.db2.gz DKNUHPDXNOIOFU-UHFFFAOYSA-N -1 3 287.315 3.052 20 0 CGADHM COc1ccc(NC(=O)c2ccc(F)c(Cl)c2)c([O-])c1 ZINC000443567283 542667112 /nfs/dbraw/zinc/66/71/12/542667112.db2.gz OXHLJQYYXSIDIU-UHFFFAOYSA-N -1 3 295.697 3.446 20 0 CGADHM COc1ccc(NC(=O)C[C@@H]2CCC[C@@H]2C)c([O-])c1 ZINC000443560070 542667199 /nfs/dbraw/zinc/66/71/99/542667199.db2.gz OTHQCAVUOUOQRP-QWRGUYRKSA-N -1 3 263.337 3.166 20 0 CGADHM CC(C)(C)c1noc(-c2cc(-c3ccco3)[n-]n2)n1 ZINC000109524152 392362498 /nfs/dbraw/zinc/36/24/98/392362498.db2.gz UQNDODFFWFOLEK-UHFFFAOYSA-N -1 3 258.281 3.017 20 0 CGADHM CC(C)(C)c1noc(-c2cc(-c3ccco3)n[n-]2)n1 ZINC000109524152 392362503 /nfs/dbraw/zinc/36/25/03/392362503.db2.gz UQNDODFFWFOLEK-UHFFFAOYSA-N -1 3 258.281 3.017 20 0 CGADHM CCc1ncc(NC(=O)c2cc([O-])c3ccccc3c2)cn1 ZINC000472344175 542701856 /nfs/dbraw/zinc/70/18/56/542701856.db2.gz CQQDAYNENIYVMC-UHFFFAOYSA-N -1 3 293.326 3.150 20 0 CGADHM CC(C)[C@@H]1CCCN1C(=O)c1c[n-]c2ccccc2c1=O ZINC000299291155 392578508 /nfs/dbraw/zinc/57/85/08/392578508.db2.gz PRGPJIWRFUVDNI-HNNXBMFYSA-N -1 3 284.359 3.201 20 0 CGADHM COc1cccc(Cc2noc(-c3ccc(C)cc3[O-])n2)c1 ZINC000315743644 392669236 /nfs/dbraw/zinc/66/92/36/392669236.db2.gz VXHAAJUSRVBAGJ-UHFFFAOYSA-N -1 3 296.326 3.350 20 0 CGADHM O=C([N-]OCC(F)(F)F)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000372947670 392649020 /nfs/dbraw/zinc/64/90/20/392649020.db2.gz KJZLDRCAPDFMPV-PHDIDXHHSA-N -1 3 299.701 3.115 20 0 CGADHM O=C(c1cc([O-])c2ccccc2c1)N1CC(C(F)(F)F)C1 ZINC000334673229 392745507 /nfs/dbraw/zinc/74/55/07/392745507.db2.gz UQNVGJVZPXNOEF-UHFFFAOYSA-N -1 3 295.260 3.180 20 0 CGADHM CCCOc1cccc(-c2nc3ccc(O)cc3c(=O)[n-]2)c1 ZINC000484964651 542708211 /nfs/dbraw/zinc/70/82/11/542708211.db2.gz SOUNIBDHUBKWBX-UHFFFAOYSA-N -1 3 296.326 3.497 20 0 CGADHM CCc1ccc([O-])c(C(=O)NC[C@H](C)Oc2ccccc2)c1 ZINC000505994261 392706821 /nfs/dbraw/zinc/70/68/21/392706821.db2.gz ZZNOODPNVBBLJW-ZDUSSCGKSA-N -1 3 299.370 3.152 20 0 CGADHM Cc1cc(F)c(CN[C@@H]2CCC[C@@H](C(=O)[O-])C2)c(F)c1 ZINC000647649071 392778613 /nfs/dbraw/zinc/77/86/13/392778613.db2.gz PNNNEOGRDIIGSY-GHMZBOCLSA-N -1 3 283.318 3.006 20 0 CGADHM C[C@@H]1CCN(C(=O)c2cc(C3CC3)on2)c2c([O-])cccc21 ZINC000186255528 392780580 /nfs/dbraw/zinc/78/05/80/392780580.db2.gz BZRLPFDTUKFFEA-SNVBAGLBSA-N -1 3 298.342 3.412 20 0 CGADHM C[C@@H]1CCN(C(=O)c2ccco2)c2c([O-])cccc21 ZINC000186286791 392780860 /nfs/dbraw/zinc/78/08/60/392780860.db2.gz MQLUEZLXPJRYOZ-SNVBAGLBSA-N -1 3 257.289 3.139 20 0 CGADHM Cc1cccc([O-])c1NC(=O)c1cc2sccc2[nH]1 ZINC000192200381 392841841 /nfs/dbraw/zinc/84/18/41/392841841.db2.gz IOUNUCDRVUQJLZ-UHFFFAOYSA-N -1 3 272.329 3.496 20 0 CGADHM CC(C)(C)CCCC(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000647802096 392803624 /nfs/dbraw/zinc/80/36/24/392803624.db2.gz FRZGCVDDSIABNL-UHFFFAOYSA-N -1 3 275.352 3.423 20 0 CGADHM CC(C)(C)OCCNC(=O)c1cc([O-])c2ccccc2c1 ZINC000527163015 542741843 /nfs/dbraw/zinc/74/18/43/542741843.db2.gz XQSDLOVZLMLJRX-UHFFFAOYSA-N -1 3 287.359 3.090 20 0 CGADHM O=C(CCc1nc2ccccc2o1)Nc1ccccc1[O-] ZINC000340100169 392965512 /nfs/dbraw/zinc/96/55/12/392965512.db2.gz IZZRLIZITQFMQD-UHFFFAOYSA-N -1 3 282.299 3.105 20 0 CGADHM CC[C@@H]1C[C@H](C)CN1C(=O)c1c[n-]c2c(C)cccc2c1=O ZINC000408348782 392972007 /nfs/dbraw/zinc/97/20/07/392972007.db2.gz KGXMEQVSTQIEEY-WCQYABFASA-N -1 3 298.386 3.097 20 0 CGADHM C[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccccc2F)CC1 ZINC000227307051 393015752 /nfs/dbraw/zinc/01/57/52/393015752.db2.gz KBEMXXIGSQFOTD-RYUDHWBXSA-N -1 3 285.384 3.073 20 0 CGADHM O=C(CCCc1ccc([O-])c(F)c1)N1C[C@@H]2CCC[C@@H]2C1 ZINC000468965083 393171032 /nfs/dbraw/zinc/17/10/32/393171032.db2.gz LTYASIGLFHKTNI-OKILXGFUSA-N -1 3 291.366 3.113 20 0 CGADHM Cc1cc(Cl)ccc1NC(=O)/C=C\c1cncc([O-])c1 ZINC000255774270 393134673 /nfs/dbraw/zinc/13/46/73/393134673.db2.gz OQRHVOCRSKIMFO-DJWKRKHSSA-N -1 3 288.734 3.401 20 0 CGADHM C[C@H]1[C@H](C(=O)N2CC[C@@H](C)c3cccc([O-])c32)C1(F)F ZINC000468862286 393164602 /nfs/dbraw/zinc/16/46/02/393164602.db2.gz DNLXCWKCZSVKCL-VDDIYKPWSA-N -1 3 281.302 3.134 20 0 CGADHM C[C@@H]1CN(Cc2cc([O-])cc(C(F)(F)F)c2)[C@@H]1C ZINC000646252550 393247065 /nfs/dbraw/zinc/24/70/65/393247065.db2.gz NJQDTJMJWSNNHB-RKDXNWHRSA-N -1 3 259.271 3.251 20 0 CGADHM O=C(CCCc1ccc([O-])c(F)c1)N1CC[C@@H]2CCC[C@@H]21 ZINC000469621243 393203647 /nfs/dbraw/zinc/20/36/47/393203647.db2.gz LPKOJVIIDNQTNH-ZFWWWQNUSA-N -1 3 291.366 3.255 20 0 CGADHM Cc1ccc(C(=O)N2CCCC[C@H]2C2CCC2)c([O-])c1 ZINC000648705960 393214649 /nfs/dbraw/zinc/21/46/49/393214649.db2.gz VZLXDVPUYCNMMO-HNNXBMFYSA-N -1 3 273.376 3.495 20 0 CGADHM CCC(CC)[N-]S(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000471688647 393291230 /nfs/dbraw/zinc/29/12/30/393291230.db2.gz OKGXHDHSBXUNDY-UHFFFAOYSA-N -1 3 293.791 3.254 20 0 CGADHM Cc1ccc(NC(=O)c2ccc3[nH][n-]c(=O)c3c2)cc1C ZINC000646565157 393302877 /nfs/dbraw/zinc/30/28/77/393302877.db2.gz CTBMZOBCJBDQQA-UHFFFAOYSA-N -1 3 281.315 3.138 20 0 CGADHM CCCN(CC1CCCCC1)C(=O)c1csc(=O)[n-]1 ZINC000471792474 393305132 /nfs/dbraw/zinc/30/51/32/393305132.db2.gz KVBKXBDTYNJRBE-UHFFFAOYSA-N -1 3 282.409 3.281 20 0 CGADHM C[C@@]1([N-]S(=O)(=O)c2ccc(Cl)s2)CC=CCC1 ZINC000416557157 393314537 /nfs/dbraw/zinc/31/45/37/393314537.db2.gz JTOLSYMIDPRSEY-LLVKDONJSA-N -1 3 291.825 3.179 20 0 CGADHM CC(C)CN(C)C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000646776183 393324838 /nfs/dbraw/zinc/32/48/38/393324838.db2.gz OABYKQARRJQBFI-UHFFFAOYSA-N -1 3 275.270 3.139 20 0 CGADHM O=C(c1ccc2[nH][n-]c(=O)c2c1)N1CCC2(C1)CCCCC2 ZINC000646870578 393325879 /nfs/dbraw/zinc/32/58/79/393325879.db2.gz YRHMDOLCTQPXBB-UHFFFAOYSA-N -1 3 299.374 3.065 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)C1(c2cccc(C)c2)CC1 ZINC000649232132 393380927 /nfs/dbraw/zinc/38/09/27/393380927.db2.gz TYCUXYNOJIZZOT-UHFFFAOYSA-N -1 3 297.402 3.242 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)C(C)(C)C(C)(C)C ZINC000649228869 393376402 /nfs/dbraw/zinc/37/64/02/393376402.db2.gz CWNMJZFXRHMCJK-UHFFFAOYSA-N -1 3 265.401 3.274 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@@H](C)c1ccccc1 ZINC000649229878 393377521 /nfs/dbraw/zinc/37/75/21/393377521.db2.gz QSSPSUSVLMXCSM-NSHDSACASA-N -1 3 271.364 3.006 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@H](C)Cc1ccccc1 ZINC000649229220 393378101 /nfs/dbraw/zinc/37/81/01/393378101.db2.gz RZNIYRBCIXTOPY-GFCCVEGCSA-N -1 3 285.391 3.081 20 0 CGADHM CCc1ccccc1C(=O)N=c1[nH][n-]c(C(C)C)c1C ZINC000649230696 393379443 /nfs/dbraw/zinc/37/94/43/393379443.db2.gz TVCHYPYWBBEOIQ-UHFFFAOYSA-N -1 3 271.364 3.078 20 0 CGADHM CC[C@@H](C)[C@@H](C)C(=O)Nc1n[n-]c(-c2ccccc2F)n1 ZINC000356514396 393469347 /nfs/dbraw/zinc/46/93/47/393469347.db2.gz PXTUKRXOVSKLKV-NXEZZACHSA-N -1 3 290.342 3.232 20 0 CGADHM CCc1cc(C(=O)NCC2(C(F)(F)F)CC2)ccc1[O-] ZINC000488452208 393519535 /nfs/dbraw/zinc/51/95/35/393519535.db2.gz XKYLJJQDSPTBJX-UHFFFAOYSA-N -1 3 287.281 3.027 20 0 CGADHM Cc1ccc([O-])c(CN(C)Cc2cccc(C)c2C)n1 ZINC000430100766 393522440 /nfs/dbraw/zinc/52/24/40/393522440.db2.gz WABLFRSSACBAEL-UHFFFAOYSA-N -1 3 270.376 3.344 20 0 CGADHM O=C([O-])CCCN1CCc2oc(-c3ccccc3)cc2C1 ZINC000649676464 393538116 /nfs/dbraw/zinc/53/81/16/393538116.db2.gz IISQGTHLUVEAJE-UHFFFAOYSA-N -1 3 285.343 3.170 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)N2CC[C@H](C3CCCC3)C2)n1 ZINC000420962809 393560581 /nfs/dbraw/zinc/56/05/81/393560581.db2.gz LKJAAFTUIKHHST-OCCSQVGLSA-N -1 3 275.396 3.064 20 0 CGADHM Cc1ccc(NC(=O)/C=C\c2ccsc2)c([O-])c1 ZINC000490602834 393648659 /nfs/dbraw/zinc/64/86/59/393648659.db2.gz BRWGFKOYYGSPKE-HYXAFXHYSA-N -1 3 259.330 3.414 20 0 CGADHM CC(C)(CC(F)(F)F)C(=O)Nc1ccccc1[O-] ZINC000666921596 542826898 /nfs/dbraw/zinc/82/68/98/542826898.db2.gz ZFRVNVSIQKNUTP-UHFFFAOYSA-N -1 3 261.243 3.309 20 0 CGADHM CC(C)(C)C1=CCN(C(=O)/C=C/c2cncc([O-])c2)CC1 ZINC000492515981 393747382 /nfs/dbraw/zinc/74/73/82/393747382.db2.gz AAWNBPCPVKIMMI-SNAWJCMRSA-N -1 3 286.375 3.005 20 0 CGADHM COc1cc(C(=O)N[C@H]2CCC(C)(C)C[C@@H]2C)ccc1[O-] ZINC000443297682 393750612 /nfs/dbraw/zinc/75/06/12/393750612.db2.gz RDNHEBKTEZGWFH-AAEUAGOBSA-N -1 3 291.391 3.345 20 0 CGADHM COc1cc(C(=O)N[C@@H]2CC[C@H]3CCC[C@H]3C2)ccc1[O-] ZINC000443284779 393750924 /nfs/dbraw/zinc/75/09/24/393750924.db2.gz CLTOKCNXGXPNQZ-MBNYWOFBSA-N -1 3 289.375 3.099 20 0 CGADHM CCC[C@H]1[C@@H](C)CCCN1C(=O)c1ccccc1[O-] ZINC000436572889 393717503 /nfs/dbraw/zinc/71/75/03/393717503.db2.gz IALFXALTHHVLGI-JSGCOSHPSA-N -1 3 261.365 3.433 20 0 CGADHM C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1[O-])C1CC1 ZINC000443559487 393764091 /nfs/dbraw/zinc/76/40/91/393764091.db2.gz OFXUHRSBIUDILK-ZETCQYMHSA-N -1 3 289.253 3.275 20 0 CGADHM CCc1ccc([O-])c(C(=O)NCCCc2ccccc2)c1 ZINC000500406637 393826843 /nfs/dbraw/zinc/82/68/43/393826843.db2.gz GJWVFAJUAMNNCC-UHFFFAOYSA-N -1 3 283.371 3.317 20 0 CGADHM CCC[C@H]1CCC[C@H]1C(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000448892468 393873142 /nfs/dbraw/zinc/87/31/42/393873142.db2.gz CDGJAZDALOLDRS-WDEREUQCSA-N -1 3 288.351 3.220 20 0 CGADHM CCC[C@H]1CCC[C@H]1C(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000448892468 393873144 /nfs/dbraw/zinc/87/31/44/393873144.db2.gz CDGJAZDALOLDRS-WDEREUQCSA-N -1 3 288.351 3.220 20 0 CGADHM CCC[C@H]1CCC[C@H]1C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000448892468 393873146 /nfs/dbraw/zinc/87/31/46/393873146.db2.gz CDGJAZDALOLDRS-WDEREUQCSA-N -1 3 288.351 3.220 20 0 CGADHM Cc1ccc([O-])c(CN[C@H]2CCCc3c(F)cccc32)n1 ZINC000449351408 393879243 /nfs/dbraw/zinc/87/92/43/393879243.db2.gz PCEJFPLCLYJMTN-HNNXBMFYSA-N -1 3 286.350 3.402 20 0 CGADHM CCCC[C@H](CCC)NC(=O)c1cc(F)cc2nn[n-]c21 ZINC000502978916 393888807 /nfs/dbraw/zinc/88/88/07/393888807.db2.gz CJJBGIDAMWIKNC-NSHDSACASA-N -1 3 292.358 3.186 20 0 CGADHM CCCC[C@H](CCC)NC(=O)c1cc(F)cc2[n-]nnc21 ZINC000502978916 393888812 /nfs/dbraw/zinc/88/88/12/393888812.db2.gz CJJBGIDAMWIKNC-NSHDSACASA-N -1 3 292.358 3.186 20 0 CGADHM CCCC[C@H](CCC)NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000502978916 393888818 /nfs/dbraw/zinc/88/88/18/393888818.db2.gz CJJBGIDAMWIKNC-NSHDSACASA-N -1 3 292.358 3.186 20 0 CGADHM Cc1ccc([O-])c(CN[C@H]2CCCN(C)c3ccccc32)n1 ZINC000449647808 393933937 /nfs/dbraw/zinc/93/39/37/393933937.db2.gz FFDQIOORKARKBX-HNNXBMFYSA-N -1 3 297.402 3.157 20 0 CGADHM CC[C@@H](CC(F)(F)F)C(=O)Nc1nc(C)ccc1[O-] ZINC000450531151 394011752 /nfs/dbraw/zinc/01/17/52/394011752.db2.gz HDHHKPWLDCJTOK-QMMMGPOBSA-N -1 3 276.258 3.013 20 0 CGADHM CCCn1ncc(NC(=O)c2cccc(C)c2[O-])c1C1CC1 ZINC000452489332 394070729 /nfs/dbraw/zinc/07/07/29/394070729.db2.gz SNRFRRCHTBUFQU-UHFFFAOYSA-N -1 3 299.374 3.437 20 0 CGADHM CC1(C)C[C@@H](CNCc2cccc([O-])c2Cl)CCO1 ZINC000453581209 394250924 /nfs/dbraw/zinc/25/09/24/394250924.db2.gz MAPDREVLKKUSND-NSHDSACASA-N -1 3 283.799 3.340 20 0 CGADHM COc1cc(C(=O)NCC(C)(C)C2=CCCC2)ccc1[O-] ZINC000457185888 394326751 /nfs/dbraw/zinc/32/67/51/394326751.db2.gz RSVCDPJCFJQLCW-UHFFFAOYSA-N -1 3 289.375 3.267 20 0 CGADHM CSc1ccc([O-])c(C(=O)N2CCC[C@@H]2C2CC2)c1 ZINC000668186691 542985485 /nfs/dbraw/zinc/98/54/85/542985485.db2.gz OWKUDYXLSPWXBJ-CYBMUJFWSA-N -1 3 277.389 3.129 20 0 CGADHM COCC1(C2CCC2)CN(Cc2cccc([O-])c2Cl)C1 ZINC000668514500 543022622 /nfs/dbraw/zinc/02/26/22/543022622.db2.gz ITARRXYOSDZRER-UHFFFAOYSA-N -1 3 295.810 3.294 20 0 CGADHM Cc1ccc(C(=O)N2CC[C@@H](C(F)(F)F)[C@@H]2C)c([O-])c1 ZINC000334430821 292061658 /nfs/dbraw/zinc/06/16/58/292061658.db2.gz JYVNFCPVDILLCP-GXSJLCMTSA-N -1 3 287.281 3.114 20 0 CGADHM C[C@@H]1CCN(C(=O)c2cc([O-])ccc2C(F)(F)F)[C@@H]1C ZINC000193440942 296538857 /nfs/dbraw/zinc/53/88/57/296538857.db2.gz RUKQCJRAPMNQKO-RKDXNWHRSA-N -1 3 287.281 3.282 20 0 CGADHM COc1cccc(C(=O)Nc2ncsc2C(C)C)c1[O-] ZINC000673551972 543244063 /nfs/dbraw/zinc/24/40/63/543244063.db2.gz JWNKZAUPOQBEPE-UHFFFAOYSA-N -1 3 292.360 3.233 20 0 CGADHM CC(C)(C)c1cc(C(=O)Nc2cc(Cl)ccc2[O-])n[nH]1 ZINC000673854251 543257016 /nfs/dbraw/zinc/25/70/16/543257016.db2.gz QBPRDTKYVTUQAE-UHFFFAOYSA-N -1 3 293.754 3.319 20 0 CGADHM FC(F)(F)c1ccc(-c2ccc(=S)[n-]n2)cc1 ZINC000236118938 397668529 /nfs/dbraw/zinc/66/85/29/397668529.db2.gz OQQYCVOGAQTSGO-UHFFFAOYSA-N -1 3 256.252 3.451 20 0 CGADHM COc1ccnc([N-]c2ccn([C@@H](C)c3ccccc3)n2)n1 ZINC000675296185 543327002 /nfs/dbraw/zinc/32/70/02/543327002.db2.gz YKPWKXQRCHFDHM-LBPRGKRZSA-N -1 3 295.346 3.035 20 0 CGADHM Cc1ccc([O-])c(NC(=O)[C@H]2[C@H](c3ccccc3)[C@@H]2C)n1 ZINC000435918834 292165541 /nfs/dbraw/zinc/16/55/41/292165541.db2.gz UBZJCCZJCFHELY-TUKIKUTGSA-N -1 3 282.343 3.084 20 0 CGADHM Cc1cc2sc([N-]C(=O)c3cnco3)nc2c(C)c1 ZINC000677505419 543451650 /nfs/dbraw/zinc/45/16/50/543451650.db2.gz HQDHPVQSXMUHTD-UHFFFAOYSA-N -1 3 273.317 3.153 20 0 CGADHM O=C(CCOc1cccc(F)c1)Nc1cccc([O-])c1F ZINC000677801624 543465968 /nfs/dbraw/zinc/46/59/68/543465968.db2.gz XUJLYTFFSFTNRW-UHFFFAOYSA-N -1 3 293.269 3.078 20 0 CGADHM CC(C)c1ccc(C(=O)N(C)[C@@H](C)C2CC2)c([O-])c1 ZINC000678302811 543512453 /nfs/dbraw/zinc/51/24/53/543512453.db2.gz NZHVNMOYINJZGK-NSHDSACASA-N -1 3 261.365 3.386 20 0 CGADHM Cc1ccc2[n-]cc(C(=O)N3CCC[C@H](C)CC3)c(=O)c2c1 ZINC000341594843 292301027 /nfs/dbraw/zinc/30/10/27/292301027.db2.gz SMXLSAAOPWSNNS-LBPRGKRZSA-N -1 3 298.386 3.099 20 0 CGADHM COc1cccc(C(=O)N(C)[C@@H]2CCC(C)(C)C2)c1[O-] ZINC000336158152 286439749 /nfs/dbraw/zinc/43/97/49/286439749.db2.gz ZXPMNXAQKDUEBO-LLVKDONJSA-N -1 3 277.364 3.052 20 0 CGADHM Cc1ccc(C(=O)N[C@H]2CCC[C@@H](C)C2)c([O-])c1C ZINC000048573275 286907866 /nfs/dbraw/zinc/90/78/66/286907866.db2.gz YCKASLGYJKYXAT-MFKMUULPSA-N -1 3 261.365 3.318 20 0 CGADHM Cc1cc(C)c(CNC(=O)c2ccccc2[O-])c(C)c1 ZINC000049495634 286926365 /nfs/dbraw/zinc/92/63/65/286926365.db2.gz FMFOTMNWGSZTCT-UHFFFAOYSA-N -1 3 269.344 3.247 20 0 CGADHM COc1cccc(C(=O)N[C@H](C)C2CCCCC2)c1[O-] ZINC000052343688 286936508 /nfs/dbraw/zinc/93/65/08/286936508.db2.gz GKZZQCMOYUKCII-LLVKDONJSA-N -1 3 277.364 3.099 20 0 CGADHM CCOc1ncccc1C(=O)[N-]c1c(F)cc(F)cc1F ZINC000072507043 286995438 /nfs/dbraw/zinc/99/54/38/286995438.db2.gz VQAKINOPBZOVNI-UHFFFAOYSA-N -1 3 296.248 3.150 20 0 CGADHM O=C(Cc1cccc(F)c1)Nc1cc(Cl)ccc1[O-] ZINC000069693343 165056315 /nfs/dbraw/zinc/05/63/15/165056315.db2.gz KOJBGHISANTPNJ-UHFFFAOYSA-N -1 3 279.698 3.366 20 0 CGADHM O=C(CCCc1ccccc1)Nc1ccc([O-])cc1F ZINC000070333125 165060004 /nfs/dbraw/zinc/06/00/04/165060004.db2.gz DDVUTNBYUCXDHT-UHFFFAOYSA-N -1 3 273.307 3.493 20 0 CGADHM O=C([N-]c1c(F)cc(F)cc1F)c1ccncc1Cl ZINC000073848511 165084998 /nfs/dbraw/zinc/08/49/98/165084998.db2.gz QRMVUZFQPUXXFS-UHFFFAOYSA-N -1 3 286.640 3.405 20 0 CGADHM C[C@@H]1CCC[C@@H](C)C1NC(=O)NCc1ccc([O-])c(F)c1 ZINC000081497755 165166666 /nfs/dbraw/zinc/16/66/66/165166666.db2.gz WIYOYIQZBCGTBQ-GHMZBOCLSA-N -1 3 294.370 3.155 20 0 CGADHM CC(C)Oc1ccccc1NC(=O)c1cccc([O-])c1 ZINC000082265499 165168865 /nfs/dbraw/zinc/16/88/65/165168865.db2.gz BEINLFWNBOJBGW-UHFFFAOYSA-N -1 3 271.316 3.432 20 0 CGADHM O=C(Nc1ccc([O-])cc1F)c1ccc(Cl)s1 ZINC000085203853 165179083 /nfs/dbraw/zinc/17/90/83/165179083.db2.gz JABKXLSOKYREOJ-UHFFFAOYSA-N -1 3 271.700 3.499 20 0 CGADHM Cc1ccc(NC(=O)c2snnc2C(C)(C)C)c([O-])c1 ZINC000087446531 165185387 /nfs/dbraw/zinc/18/53/87/165185387.db2.gz DYBPCYVAHLSIEC-UHFFFAOYSA-N -1 3 291.376 3.102 20 0 CGADHM O=C(c1ccccc1[O-])N(Cc1cccc(O)c1)CC1CC1 ZINC000092602145 165305607 /nfs/dbraw/zinc/30/56/07/165305607.db2.gz CXFUDSQCKXYPDN-UHFFFAOYSA-N -1 3 297.354 3.150 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CCC[C@@H](C)[C@H]2C)c1 ZINC000091743741 287109668 /nfs/dbraw/zinc/10/96/68/287109668.db2.gz YVYBMYUMNMSAFK-VXGBXAGGSA-N -1 3 261.365 3.215 20 0 CGADHM CN(Cc1cc([O-])ccc1Br)C1CCC1 ZINC000093475900 165330719 /nfs/dbraw/zinc/33/07/19/165330719.db2.gz UAUUXDFEYVBMBB-UHFFFAOYSA-N -1 3 270.170 3.139 20 0 CGADHM CCc1ccc([O-])c(C(=O)N(C)[C@H](C)c2ccncc2)c1 ZINC000094067891 165344144 /nfs/dbraw/zinc/34/41/44/165344144.db2.gz YKRODBQUYQXQRJ-GFCCVEGCSA-N -1 3 284.359 3.183 20 0 CGADHM COc1ccc(CN(C)C(=O)c2ccc(C)cc2[O-])cc1C ZINC000103024090 287126066 /nfs/dbraw/zinc/12/60/66/287126066.db2.gz LWLLZHJTHADPFD-UHFFFAOYSA-N -1 3 299.370 3.290 20 0 CGADHM COc1ccc(Cc2noc(-c3ccccc3[O-])n2)cc1 ZINC000109037788 287127698 /nfs/dbraw/zinc/12/76/98/287127698.db2.gz WBCBJLKVDQNMTQ-UHFFFAOYSA-N -1 3 282.299 3.042 20 0 CGADHM COc1ccc([O-])c(-c2nc(-c3ccccc3)no2)c1 ZINC000111687269 287135860 /nfs/dbraw/zinc/13/58/60/287135860.db2.gz BFHFCMOAAXJIHL-UHFFFAOYSA-N -1 3 268.272 3.118 20 0 CGADHM Cc1cccc(C(=O)N2CCCC[C@@H]2C(C)C)c1[O-] ZINC000117194851 287159166 /nfs/dbraw/zinc/15/91/66/287159166.db2.gz CAPHXWUCFHAIKM-CQSZACIVSA-N -1 3 261.365 3.351 20 0 CGADHM Cc1cc(C)cc(OCC(=O)Nc2ccccc2[O-])c1 ZINC000009694330 170384485 /nfs/dbraw/zinc/38/44/85/170384485.db2.gz LCPWPZCVBXAZCU-UHFFFAOYSA-N -1 3 271.316 3.027 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CCc3cccc(C)c32)c1 ZINC000125426819 287244392 /nfs/dbraw/zinc/24/43/92/287244392.db2.gz KSFUVNRZARWSGN-UHFFFAOYSA-N -1 3 267.328 3.212 20 0 CGADHM Cc1ccc(C(=O)N2CC[C@H](Cc3ccccc3)C2)c([O-])c1 ZINC000125989861 287254557 /nfs/dbraw/zinc/25/45/57/287254557.db2.gz SXUTXWBMBBGWKT-MRXNPFEDSA-N -1 3 295.382 3.405 20 0 CGADHM O=C(c1cccc([O-])c1)N1CC[C@@H]2CCCC[C@H]2C1 ZINC000035153642 172016288 /nfs/dbraw/zinc/01/62/88/172016288.db2.gz VOVYRQPNSONEJH-JSGCOSHPSA-N -1 3 259.349 3.045 20 0 CGADHM CCC(CC)Sc1cccc(F)c1-c1nnn[n-]1 ZINC000736348922 572783919 /nfs/dbraw/zinc/78/39/19/572783919.db2.gz DDCKXVQWZVLXCV-UHFFFAOYSA-N -1 3 266.345 3.287 20 0 CGADHM Cc1ccc([O-])c(C(=O)N[C@@H](C)c2nc3ccccc3[nH]2)c1 ZINC000127710139 287294598 /nfs/dbraw/zinc/29/45/98/287294598.db2.gz WLXXRQMWGLIZIB-NSHDSACASA-N -1 3 295.342 3.068 20 0 CGADHM O=C(Nc1cccc([O-])c1F)C1CCCCCC1 ZINC000128619053 287314727 /nfs/dbraw/zinc/31/47/27/287314727.db2.gz OHAHINLUCSOINJ-UHFFFAOYSA-N -1 3 251.301 3.440 20 0 CGADHM CCC(CC)n1nccc1C(=O)Nc1cccc([O-])c1F ZINC000129195096 287326426 /nfs/dbraw/zinc/32/64/26/287326426.db2.gz LLVMSKSRFXQLKD-UHFFFAOYSA-N -1 3 291.326 3.341 20 0 CGADHM O=C(Nc1cccc([O-])c1F)c1c(F)cc(F)cc1F ZINC000129365772 287329610 /nfs/dbraw/zinc/32/96/10/287329610.db2.gz FIPVJBJFCBDNNU-UHFFFAOYSA-N -1 3 285.196 3.201 20 0 CGADHM CC[C@H]1COC(C)(C)CN1C(=O)c1cc([O-])ccc1Cl ZINC000403800590 416550618 /nfs/dbraw/zinc/55/06/18/416550618.db2.gz IEGZXMXOEDLYAI-JTQLQIEISA-N -1 3 297.782 3.075 20 0 CGADHM CC[C@@H]1COC(C)(C)CN1C(=O)c1cc([O-])ccc1Cl ZINC000403800594 416550976 /nfs/dbraw/zinc/55/09/76/416550976.db2.gz IEGZXMXOEDLYAI-SNVBAGLBSA-N -1 3 297.782 3.075 20 0 CGADHM O=C(Nc1cccc([O-])c1F)c1cc(-c2ccco2)on1 ZINC000129695507 287337571 /nfs/dbraw/zinc/33/75/71/287337571.db2.gz YHUSBMAKMUEBRD-UHFFFAOYSA-N -1 3 288.234 3.032 20 0 CGADHM O=C([N-]c1nc(-c2cccs2)cs1)c1ccon1 ZINC000130066024 287344501 /nfs/dbraw/zinc/34/45/01/287344501.db2.gz DIEAYBATUSPWKI-UHFFFAOYSA-N -1 3 277.330 3.112 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2cc3occc3s2)n1 ZINC000680321383 543696833 /nfs/dbraw/zinc/69/68/33/543696833.db2.gz NJBIUPVQBAKQKW-UHFFFAOYSA-N -1 3 274.301 3.156 20 0 CGADHM Cc1ccc([O-])c(CNc2cn(C)nc2-c2ccccc2)n1 ZINC000680333802 543699313 /nfs/dbraw/zinc/69/93/13/543699313.db2.gz DBPLVONCIPVISJ-UHFFFAOYSA-N -1 3 294.358 3.108 20 0 CGADHM O=C([N-]c1cnoc1)c1c[nH]nc1-c1cc2ccccc2o1 ZINC000681978367 543813126 /nfs/dbraw/zinc/81/31/26/543813126.db2.gz WXACGVQSIBYNEV-UHFFFAOYSA-N -1 3 294.270 3.063 20 0 CGADHM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1cncc(F)c1 ZINC000131076217 287370314 /nfs/dbraw/zinc/37/03/14/287370314.db2.gz LXPQTGZAPFWQLF-UHFFFAOYSA-N -1 3 297.289 3.436 20 0 CGADHM Cc1nc(C(=O)[N-]c2nnc(CC(C)C)s2)sc1C ZINC000683535204 543921914 /nfs/dbraw/zinc/92/19/14/543921914.db2.gz LWEILKSDIYIYSE-UHFFFAOYSA-N -1 3 296.421 3.062 20 0 CGADHM COc1ccc([C@@H](CC(=O)[O-])NCc2ccc(C)cc2)cc1 ZINC000683170915 543901182 /nfs/dbraw/zinc/90/11/82/543901182.db2.gz BWGAXKCPPZHVLS-QGZVFWFLSA-N -1 3 299.370 3.309 20 0 CGADHM O=C(NCc1ccc(Cl)o1)c1cc([O-])ccc1Cl ZINC000685584686 544087591 /nfs/dbraw/zinc/08/75/91/544087591.db2.gz INXXEFHRIDGIME-UHFFFAOYSA-N -1 3 286.114 3.222 20 0 CGADHM COc1cc(C)ccc1[N-]S(=O)(=O)CCC(C)(C)C ZINC000685899767 544106417 /nfs/dbraw/zinc/10/64/17/544106417.db2.gz FHTVPRKICWOXRB-UHFFFAOYSA-N -1 3 285.409 3.182 20 0 CGADHM O=C([O-])c1sccc1CN1CCCc2sccc2C1 ZINC000652411013 418965166 /nfs/dbraw/zinc/96/51/66/418965166.db2.gz SBXVSSPCSGWGTJ-UHFFFAOYSA-N -1 3 293.413 3.456 20 0 CGADHM Cc1oc(C(=O)[O-])cc1CN(C)CC1(c2ccccc2)CC1 ZINC000652433457 418968682 /nfs/dbraw/zinc/96/86/82/418968682.db2.gz OMMIFBAWHWNMMN-UHFFFAOYSA-N -1 3 299.370 3.450 20 0 CGADHM CC1CCN(Cc2c(Cl)cccc2C(=O)[O-])CC1 ZINC000652368516 418958239 /nfs/dbraw/zinc/95/82/39/418958239.db2.gz HDUWGESMHJEGCP-UHFFFAOYSA-N -1 3 267.756 3.270 20 0 CGADHM CCc1cc(C(=O)NCc2cccc(C)c2OC)ccc1[O-] ZINC000655248349 419032849 /nfs/dbraw/zinc/03/28/49/419032849.db2.gz GNUBSDMWDJNXIW-UHFFFAOYSA-N -1 3 299.370 3.202 20 0 CGADHM C[C@H](NC(=O)c1cccc([O-])c1)C1CCC(F)(F)CC1 ZINC000655345810 419041635 /nfs/dbraw/zinc/04/16/35/419041635.db2.gz YWJIDMLOUNUDKL-JTQLQIEISA-N -1 3 283.318 3.336 20 0 CGADHM C[C@@H](NC(=O)c1cccc([O-])c1)C1CCC(F)(F)CC1 ZINC000655345811 419042219 /nfs/dbraw/zinc/04/22/19/419042219.db2.gz YWJIDMLOUNUDKL-SNVBAGLBSA-N -1 3 283.318 3.336 20 0 CGADHM O=C(c1csc(=O)[n-]1)N1CCC[C@H]1CC1CCCC1 ZINC000655364061 419043005 /nfs/dbraw/zinc/04/30/05/419043005.db2.gz YHVNOCXDZYLIQV-NSHDSACASA-N -1 3 280.393 3.034 20 0 CGADHM CCOc1nc2cc(C(=O)N3CCC34CCCC4)ccc2[n-]1 ZINC000652568892 418981871 /nfs/dbraw/zinc/98/18/71/418981871.db2.gz WZZJEJABAZMAAQ-UHFFFAOYSA-N -1 3 299.374 3.120 20 0 CGADHM CCOc1nc2ccc(C(=O)N3CCC34CCCC4)cc2[n-]1 ZINC000652568892 418981878 /nfs/dbraw/zinc/98/18/78/418981878.db2.gz WZZJEJABAZMAAQ-UHFFFAOYSA-N -1 3 299.374 3.120 20 0 CGADHM COc1ccc(C(=O)[N-]c2ncsc2C(C)C)o1 ZINC000653836452 419093986 /nfs/dbraw/zinc/09/39/86/419093986.db2.gz BWKJJKOXIQPRLT-UHFFFAOYSA-N -1 3 266.322 3.120 20 0 CGADHM CC(=O)c1ccc(C(=O)NC2[C@@H](C)CCC[C@@H]2C)cc1[O-] ZINC000665343216 419113928 /nfs/dbraw/zinc/11/39/28/419113928.db2.gz SEKMYXJKBWUSAC-QWRGUYRKSA-N -1 3 289.375 3.149 20 0 CGADHM CCc1cccc(C(=O)N2C[C@@H](C3CC3)[C@H]2C2CC2)c1[O-] ZINC000653926850 419114445 /nfs/dbraw/zinc/11/44/45/419114445.db2.gz IDXFBLILALRMSL-JKSUJKDBSA-N -1 3 285.387 3.215 20 0 CGADHM CC(C)n1cc(C=Cc2nc(C(F)(F)F)cc(=O)[n-]2)cn1 ZINC000656106239 419141679 /nfs/dbraw/zinc/14/16/79/419141679.db2.gz SHPCSHJPYOUFLJ-ARJAWSKDSA-N -1 3 298.268 3.149 20 0 CGADHM Cc1cc(C)nc(SCc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000665686931 419150772 /nfs/dbraw/zinc/15/07/72/419150772.db2.gz JJSXPZWHPNSMSM-UHFFFAOYSA-N -1 3 287.388 3.364 20 0 CGADHM CCC[C@H](C)NC(=O)c1cc(SC)ccc1[O-] ZINC000665875972 419168248 /nfs/dbraw/zinc/16/82/48/419168248.db2.gz SEVZTJTZSJHHTP-VIFPVBQESA-N -1 3 253.367 3.033 20 0 CGADHM Cc1cc(=O)[n-]c(C(C)(C)NCCC2CCCCC2)n1 ZINC000660750287 419189019 /nfs/dbraw/zinc/18/90/19/419189019.db2.gz ARKDYURHNVOXHV-UHFFFAOYSA-N -1 3 277.412 3.286 20 0 CGADHM Cc1cc(=O)[n-]c(C(C)(C)NCCCc2ccccc2C)n1 ZINC000660747047 419189749 /nfs/dbraw/zinc/18/97/49/419189749.db2.gz FIJWCRGORUDWPI-UHFFFAOYSA-N -1 3 299.418 3.257 20 0 CGADHM Cc1cc(=O)[n-]c(C(C)(C)NCc2c(C)cccc2C)n1 ZINC000660745778 419190057 /nfs/dbraw/zinc/19/00/57/419190057.db2.gz GWCKMPIGNWQKOI-UHFFFAOYSA-N -1 3 285.391 3.132 20 0 CGADHM CSc1ccc([O-])c(C(=O)N(CC2CC2)C(C)C)c1 ZINC000666306000 419206623 /nfs/dbraw/zinc/20/66/23/419206623.db2.gz NIOAPLPNVIQPRX-UHFFFAOYSA-N -1 3 279.405 3.375 20 0 CGADHM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCC[C@@H](CCF)C1 ZINC000656762995 419212326 /nfs/dbraw/zinc/21/23/26/419212326.db2.gz JNULTKWUSKHXAZ-QWRGUYRKSA-N -1 3 269.316 3.110 20 0 CGADHM Cn1c(C[N-]c2nc(C3CC3)no2)cc2ccccc21 ZINC000656771909 419214545 /nfs/dbraw/zinc/21/45/45/419214545.db2.gz MYLAEOCWQPOBKU-UHFFFAOYSA-N -1 3 268.320 3.051 20 0 CGADHM COc1cccc(CN[C@@H](CCC(C)(C)C)C(=O)[O-])c1F ZINC000666591579 419229627 /nfs/dbraw/zinc/22/96/27/419229627.db2.gz ZQQJKMRGHLNXDJ-LBPRGKRZSA-N -1 3 297.370 3.203 20 0 CGADHM CCCCn1c(=O)[n-]nc1SC[C@@H](OC)C1CCCC1 ZINC000657234949 419234574 /nfs/dbraw/zinc/23/45/74/419234574.db2.gz WHBBMVKPROSYAU-GFCCVEGCSA-N -1 3 299.440 3.081 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCC(C(C)(C)C)CC2)n1 ZINC000192594026 228163664 /nfs/dbraw/zinc/16/36/64/228163664.db2.gz VHBDBTQHPGJYIC-GFCCVEGCSA-N -1 3 277.412 3.310 20 0 CGADHM CC(=O)c1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2C)cc1[O-] ZINC000663132771 419517241 /nfs/dbraw/zinc/51/72/41/419517241.db2.gz UVNXGTDOOOMZFZ-XHDPSFHLSA-N -1 3 289.375 3.246 20 0 CGADHM CCS[C@H]1CCC[C@@H]1NC(=O)c1cc(C)ccc1[O-] ZINC000225706275 287632903 /nfs/dbraw/zinc/63/29/03/287632903.db2.gz ILYYZTLNGFSBDE-JSGCOSHPSA-N -1 3 279.405 3.105 20 0 CGADHM Cc1ccc(C(=O)N(CC(C)C)CC(C)C)c([O-])c1 ZINC000041638413 270031504 /nfs/dbraw/zinc/03/15/04/270031504.db2.gz PIHUYLMGSJMMBQ-UHFFFAOYSA-N -1 3 263.381 3.455 20 0 CGADHM CC[C@@H](NC(=O)c1ccccc1[O-])c1cccs1 ZINC000042350909 270032525 /nfs/dbraw/zinc/03/25/25/270032525.db2.gz TYLKQVILPYBXPI-LLVKDONJSA-N -1 3 261.346 3.335 20 0 CGADHM Cc1cc([C@H](C)NC(=O)c2ccccc2[O-])c(C)o1 ZINC000044731475 270037609 /nfs/dbraw/zinc/03/76/09/270037609.db2.gz NESAKLHLFVKPSN-JTQLQIEISA-N -1 3 259.305 3.093 20 0 CGADHM COc1ccc(C(=O)N[C@@H](C)c2cc(C)oc2C)c([O-])c1 ZINC000044731487 270037663 /nfs/dbraw/zinc/03/76/63/270037663.db2.gz JULGDSHSUSQGTG-JTQLQIEISA-N -1 3 289.331 3.102 20 0 CGADHM Cc1cccc(OCCC(=O)Nc2c(C)cccc2[O-])c1 ZINC000183028460 270055011 /nfs/dbraw/zinc/05/50/11/270055011.db2.gz TZILOOVJOAKZAQ-UHFFFAOYSA-N -1 3 285.343 3.417 20 0 CGADHM Cc1ccc(NC(=O)/C=C/c2ccc(O)cc2)c([O-])c1 ZINC000096751077 265382732 /nfs/dbraw/zinc/38/27/32/265382732.db2.gz PTSVQHSXMGEIQM-WEVVVXLNSA-N -1 3 269.300 3.058 20 0 CGADHM C[C@H]1CCC[C@H]1CC(=O)N1CCCc2cccc([O-])c21 ZINC000187725214 270069084 /nfs/dbraw/zinc/06/90/84/270069084.db2.gz MWHWPBVSDLHSCB-JSGCOSHPSA-N -1 3 273.376 3.498 20 0 CGADHM O=C(Nc1ccccc1[O-])c1csc(C(F)(F)F)n1 ZINC000188917573 270070143 /nfs/dbraw/zinc/07/01/43/270070143.db2.gz OVMCZCNJVHMLTA-UHFFFAOYSA-N -1 3 288.250 3.120 20 0 CGADHM COc1ccc(NC(=O)c2cc(-c3ccc(C)o3)[n-]n2)cc1 ZINC000193073229 270078598 /nfs/dbraw/zinc/07/85/98/270078598.db2.gz VYOBMZGYOLOQFQ-UHFFFAOYSA-N -1 3 297.314 3.239 20 0 CGADHM COc1ccc(NC(=O)c2cc(-c3ccc(C)o3)n[n-]2)cc1 ZINC000193073229 270078599 /nfs/dbraw/zinc/07/85/99/270078599.db2.gz VYOBMZGYOLOQFQ-UHFFFAOYSA-N -1 3 297.314 3.239 20 0 CGADHM COc1ccc([O-])c(C(=O)N[C@@H](C)CCc2ccccc2)c1 ZINC000215795780 270085325 /nfs/dbraw/zinc/08/53/25/270085325.db2.gz SNZKGPQQDOWBLF-ZDUSSCGKSA-N -1 3 299.370 3.152 20 0 CGADHM CS[C@H]1CCC[C@H](NC(=O)c2cccc(C)c2[O-])C1 ZINC000227354624 270087126 /nfs/dbraw/zinc/08/71/26/270087126.db2.gz HBVMINKPXAEVAP-RYUDHWBXSA-N -1 3 279.405 3.105 20 0 CGADHM Cc1cccc(C(=O)N2C[C@H](C)C[C@H](C)[C@H]2C)c1[O-] ZINC000229426540 270088124 /nfs/dbraw/zinc/08/81/24/270088124.db2.gz VOUFINHHPCTTEC-KGYLQXTDSA-N -1 3 261.365 3.207 20 0 CGADHM O=C(N[C@H](C1CC1)C1CCC1)c1cc([O-])ccc1Cl ZINC000325326953 270095080 /nfs/dbraw/zinc/09/50/80/270095080.db2.gz FYRJSSXNMFEXGY-AWEZNQCLSA-N -1 3 279.767 3.354 20 0 CGADHM [O-]c1cccc(CNCCOC2CCCCC2)c1Cl ZINC000328353082 270095215 /nfs/dbraw/zinc/09/52/15/270095215.db2.gz NLNXQFLHNCRCCA-UHFFFAOYSA-N -1 3 283.799 3.485 20 0 CGADHM C[C@@H]1CCC[C@H](CC[N-]S(=O)(=O)c2cccs2)C1 ZINC000523735473 270110802 /nfs/dbraw/zinc/11/08/02/270110802.db2.gz NTADYHNLRKIUTC-VXGBXAGGSA-N -1 3 287.450 3.243 20 0 CGADHM CC(C)[C@H](C)C(=O)Nc1ccc(Br)cc1[O-] ZINC000524168619 270112032 /nfs/dbraw/zinc/11/20/32/270112032.db2.gz RXEYSUNHIWUMST-QMMMGPOBSA-N -1 3 286.169 3.385 20 0 CGADHM CCc1ccc([O-])c(C(=O)N(C)Cc2ccccc2F)c1 ZINC000524487721 270113041 /nfs/dbraw/zinc/11/30/41/270113041.db2.gz BQTJWOQHUWNHRL-UHFFFAOYSA-N -1 3 287.334 3.366 20 0 CGADHM C[C@@H]1[C@@H](C)CCN1C(=O)c1cc([O-])cc(Br)c1 ZINC000528775110 270172780 /nfs/dbraw/zinc/17/27/80/270172780.db2.gz PEGWYBKNJCULFE-DTWKUNHWSA-N -1 3 298.180 3.025 20 0 CGADHM Cc1ccc2occ(CC(=O)[N-]OCC3CCC3)c2c1 ZINC000529527532 270182611 /nfs/dbraw/zinc/18/26/11/270182611.db2.gz TXAGCBSDEQSBKY-UHFFFAOYSA-N -1 3 273.332 3.132 20 0 CGADHM CC[C@H](NC(=O)c1csc(=O)[n-]1)c1cc(C)ccc1C ZINC000530100264 270194240 /nfs/dbraw/zinc/19/42/40/270194240.db2.gz TVZDHTZBRQAVEM-LBPRGKRZSA-N -1 3 290.388 3.347 20 0 CGADHM CCc1cccc(CN2CCc3occc3[C@@H]2C(=O)[O-])c1 ZINC000530166154 270195200 /nfs/dbraw/zinc/19/52/00/270195200.db2.gz LGASFDDNJJWCIG-MRXNPFEDSA-N -1 3 285.343 3.026 20 0 CGADHM O=C([O-])[C@H]1c2ccoc2CCN1CCCCc1ccccc1 ZINC000530167698 270195408 /nfs/dbraw/zinc/19/54/08/270195408.db2.gz YHSANNJFHZICLN-QGZVFWFLSA-N -1 3 299.370 3.286 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)[C@@]23C[C@@H]2CCC3)c1-c1ccccc1F ZINC000530274925 270198282 /nfs/dbraw/zinc/19/82/82/270198282.db2.gz IWGYPNANNJZSGR-GTNSWQLSSA-N -1 3 299.349 3.075 20 0 CGADHM [O-]c1cc(F)cc(CN[C@H]2CCOc3c(F)cccc32)c1 ZINC000276246617 275060799 /nfs/dbraw/zinc/06/07/99/275060799.db2.gz VJOSCVSVCCRYOE-HNNXBMFYSA-N -1 3 291.297 3.284 20 0 CGADHM CCOC1CC(C(=O)N2CC[C@H](C)c3cccc([O-])c32)C1 ZINC000291805233 276450040 /nfs/dbraw/zinc/45/00/40/276450040.db2.gz ZPWDZPZXOXKMAY-HIFPTAJRSA-N -1 3 289.375 3.048 20 0 CGADHM COc1cccc(C(=O)N[C@@H](C)CCc2ccccc2)c1[O-] ZINC000301217612 287928092 /nfs/dbraw/zinc/92/80/92/287928092.db2.gz FFHLPKGOEGUMOW-ZDUSSCGKSA-N -1 3 299.370 3.152 20 0 CGADHM C[C@@H](C(=O)N1CCCc2cccc([O-])c21)C1CCC1 ZINC000335582446 277543043 /nfs/dbraw/zinc/54/30/43/277543043.db2.gz ZYAHEYSMTZICPQ-LLVKDONJSA-N -1 3 259.349 3.108 20 0 CGADHM CO[C@H]1CCOc2c(NC(=O)c3cccc([O-])c3)cccc21 ZINC000344884085 277748053 /nfs/dbraw/zinc/74/80/53/277748053.db2.gz BAPYDVQFKFKCKQ-HNNXBMFYSA-N -1 3 299.326 3.115 20 0 CGADHM CC(C)c1ccc(C(=O)N2C[C@@H](C)C[C@@H]2C)c([O-])c1 ZINC000436562920 278028277 /nfs/dbraw/zinc/02/82/77/278028277.db2.gz KZQJAQGVAGXIMY-RYUDHWBXSA-N -1 3 261.365 3.386 20 0 CGADHM CC(C)n1nccc1C(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000336047778 278150540 /nfs/dbraw/zinc/15/05/40/278150540.db2.gz BLJAMQQDSSQCCG-GFCCVEGCSA-N -1 3 299.374 3.324 20 0 CGADHM C[C@H]1CCN(C(=O)c2cc(C3CC3)[nH]n2)c2c([O-])cccc21 ZINC000186267116 278361717 /nfs/dbraw/zinc/36/17/17/278361717.db2.gz XXZOXOPPGICPNL-JTQLQIEISA-N -1 3 297.358 3.147 20 0 CGADHM CC1=C[C@H](C)CN(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000352651344 278506735 /nfs/dbraw/zinc/50/67/35/278506735.db2.gz HCDMYECAEWTYKZ-VIFPVBQESA-N -1 3 265.740 3.084 20 0 CGADHM CCC(C)(C)[C@H]1CCCN1C(=O)c1cccc([O-])c1 ZINC000357357210 278582449 /nfs/dbraw/zinc/58/24/49/278582449.db2.gz NJQHSJPBPBYOPL-CQSZACIVSA-N -1 3 261.365 3.433 20 0 CGADHM C[C@@H]1Cc2ccccc2[C@H]1NCc1cccc(C(=O)[O-])c1 ZINC000414640851 288059537 /nfs/dbraw/zinc/05/95/37/288059537.db2.gz SGKQKZQRSBPQPU-PXAZEXFGSA-N -1 3 281.355 3.408 20 0 CGADHM Cc1cc(C(=O)N2CC[C@@H](C)c3cccc([O-])c32)co1 ZINC000189159110 278638444 /nfs/dbraw/zinc/63/84/44/278638444.db2.gz RKVCRVVCQCCMSR-SNVBAGLBSA-N -1 3 271.316 3.448 20 0 CGADHM C[C@@H]1CCC[C@H]1NC(=O)c1cc([O-])cc(Br)c1 ZINC000528429602 288199571 /nfs/dbraw/zinc/19/95/71/288199571.db2.gz ARJKMJUIZMZGMA-PRHODGIISA-N -1 3 298.180 3.073 20 0 CGADHM CC[C@@H]1CCC[C@H]1C(=O)N1CCCc2cccc([O-])c21 ZINC000450510346 280307679 /nfs/dbraw/zinc/30/76/79/280307679.db2.gz GJNLNEHROBOGGO-TZMCWYRMSA-N -1 3 273.376 3.498 20 0 CGADHM CC[C@H]1CCCN(C(=O)c2c[n-]c3ccccc3c2=O)CC1 ZINC000117265222 281072497 /nfs/dbraw/zinc/07/24/97/281072497.db2.gz GJJAXLMLXNSFKS-ZDUSSCGKSA-N -1 3 298.386 3.180 20 0 CGADHM Cc1cccc(C(=O)N[C@H]2CCc3cc(F)ccc32)c1[O-] ZINC000303031156 281195677 /nfs/dbraw/zinc/19/56/77/281195677.db2.gz UELXPKCOWITEHX-HNNXBMFYSA-N -1 3 285.318 3.257 20 0 CGADHM CC1(C)C[C@@H](CN=c2[n-]c(C(F)(F)F)cs2)CCO1 ZINC000413340525 281300772 /nfs/dbraw/zinc/30/07/72/281300772.db2.gz RURMDUHJKRYYEP-QMMMGPOBSA-N -1 3 294.342 3.201 20 0 CGADHM Cc1cccc2c1[C@@H](C)C[C@H]2NCc1cnc(C)[n-]c1=O ZINC000346805225 281303053 /nfs/dbraw/zinc/30/30/53/281303053.db2.gz IAKNOXXVNOMKBC-XHDPSFHLSA-N -1 3 283.375 3.137 20 0 CGADHM CCc1c(C)nc2ccccc2c1N1CC[C@](C)(C(=O)[O-])C1 ZINC000263434670 281368533 /nfs/dbraw/zinc/36/85/33/281368533.db2.gz UTTABNGZZSUTRG-SFHVURJKSA-N -1 3 298.386 3.407 20 0 CGADHM Cc1conc1[N-]C(=O)c1csc(-c2cccs2)n1 ZINC000123729532 281707655 /nfs/dbraw/zinc/70/76/55/281707655.db2.gz RRSAOBZGXGQNRQ-UHFFFAOYSA-N -1 3 291.357 3.420 20 0 CGADHM CN(C(=O)c1cccc([O-])c1)C1CCC(F)(F)CC1 ZINC000291762386 281885255 /nfs/dbraw/zinc/88/52/55/281885255.db2.gz RREOAELULSVQDR-UHFFFAOYSA-N -1 3 269.291 3.042 20 0 CGADHM CCc1ccc([O-])c(C(=O)N[C@H](C)Cc2ccc(O)cc2)c1 ZINC000532900837 288373140 /nfs/dbraw/zinc/37/31/40/288373140.db2.gz QMKDNBPXAUOSTM-GFCCVEGCSA-N -1 3 299.370 3.021 20 0 CGADHM CC1=CCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)CC1 ZINC000533768180 288394112 /nfs/dbraw/zinc/39/41/12/288394112.db2.gz RRKXCWIBPFIVHB-UHFFFAOYSA-N -1 3 295.342 3.234 20 0 CGADHM Cc1ccc(NC(=O)COC/C=C\c2ccccc2)c([O-])c1 ZINC000533882531 288396364 /nfs/dbraw/zinc/39/63/64/288396364.db2.gz GVNLAOGWWRQQEA-YVMONPNESA-N -1 3 297.354 3.369 20 0 CGADHM CCc1ccc(C(=O)N2CC3(C2)CCCCC3)c([O-])c1 ZINC000436988679 288530589 /nfs/dbraw/zinc/53/05/89/288530589.db2.gz XLLGMUQDHFYLHT-UHFFFAOYSA-N -1 3 273.376 3.361 20 0 CGADHM CCc1cccc(C(=O)N(C)[C@@H](C)C2(C)CC2)c1[O-] ZINC000539881054 288636813 /nfs/dbraw/zinc/63/68/13/288636813.db2.gz MFEKQDNDHMYFLP-NSHDSACASA-N -1 3 261.365 3.215 20 0 CGADHM C[C@@H]1C[C@H](C(F)(F)F)CCN1C(=O)c1ccccc1[O-] ZINC000295910669 288637665 /nfs/dbraw/zinc/63/76/65/288637665.db2.gz INVQKMZZBKMXKC-NXEZZACHSA-N -1 3 287.281 3.195 20 0 CGADHM Cc1ccc(C(=O)NCCCc2cccs2)c([O-])c1 ZINC000539914513 288638961 /nfs/dbraw/zinc/63/89/61/288638961.db2.gz MHFPLQBVEPXKDM-UHFFFAOYSA-N -1 3 275.373 3.125 20 0 CGADHM CCC[C@H](C(=O)Nc1nc(C)ccc1[O-])C(C)C ZINC000541514650 288704390 /nfs/dbraw/zinc/70/43/90/288704390.db2.gz KWQLSVNBVLPIOD-NSHDSACASA-N -1 3 250.342 3.106 20 0 CGADHM CN(C[C@@H]1CC=CCC1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000542412371 288750693 /nfs/dbraw/zinc/75/06/93/288750693.db2.gz FYFWZFLNWMYZJP-GFCCVEGCSA-N -1 3 292.354 3.029 20 0 CGADHM Cc1ccc([O-])c(NC(=O)[C@@H](c2ccccc2)C2CC2)n1 ZINC000542446347 288752140 /nfs/dbraw/zinc/75/21/40/288752140.db2.gz ORROWXQMHOJFDK-HNNXBMFYSA-N -1 3 282.343 3.228 20 0 CGADHM C[C@H]1CCN(C(=O)CCc2cccnc2)c2c([O-])cccc21 ZINC000547366785 288958022 /nfs/dbraw/zinc/95/80/22/288958022.db2.gz ASNNNLYQOXLSAY-ZDUSSCGKSA-N -1 3 296.370 3.260 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2cccc(Br)c2)n1 ZINC000550006011 289064450 /nfs/dbraw/zinc/06/44/50/289064450.db2.gz DZJXLEJDAYRTOM-AATRIKPKSA-N -1 3 291.148 3.424 20 0 CGADHM CC(C)c1cc(C(=O)Nc2c([O-])cccc2Cl)n[nH]1 ZINC000552781772 289198903 /nfs/dbraw/zinc/19/89/03/289198903.db2.gz XHNHJMZGGOFEGH-UHFFFAOYSA-N -1 3 279.727 3.144 20 0 CGADHM O=C(Nc1c([O-])cccc1Cl)c1cnc2ccccc2n1 ZINC000552782459 289198917 /nfs/dbraw/zinc/19/89/17/289198917.db2.gz OISAYUBRTYCLBZ-UHFFFAOYSA-N -1 3 299.717 3.241 20 0 CGADHM CCc1cc(C(=O)N[C@@H]2CCCC[C@H]2C)ccc1[O-] ZINC000552830645 289199937 /nfs/dbraw/zinc/19/99/37/289199937.db2.gz ITNYVGMERBWHBF-BXUZGUMPSA-N -1 3 261.365 3.263 20 0 CGADHM CCc1cc(C(=O)NCCCOc2ccccc2)ccc1[O-] ZINC000552868464 289200917 /nfs/dbraw/zinc/20/09/17/289200917.db2.gz XCDYPJCJBUTOHS-UHFFFAOYSA-N -1 3 299.370 3.154 20 0 CGADHM CCc1cc(C(=O)NCCc2cccc(C)c2)ccc1[O-] ZINC000553085164 289207892 /nfs/dbraw/zinc/20/78/92/289207892.db2.gz QJFOAGNEYLTYKF-UHFFFAOYSA-N -1 3 283.371 3.236 20 0 CGADHM CCc1cc(C(=O)Nc2cccc(C3CC3)n2)ccc1[O-] ZINC000554565721 289294321 /nfs/dbraw/zinc/29/43/21/289294321.db2.gz QLDHPBGJVBQUPZ-UHFFFAOYSA-N -1 3 282.343 3.479 20 0 CGADHM COCc1nc(C(=O)[N-]c2ccc(C)cc2SC)co1 ZINC000556866827 289414943 /nfs/dbraw/zinc/41/49/43/289414943.db2.gz GJGLANQTGHRXNR-UHFFFAOYSA-N -1 3 292.360 3.104 20 0 CGADHM Cc1ccc(C(=O)Nc2ccc3oc(CO)cc3c2)c([O-])c1 ZINC000557179499 289433836 /nfs/dbraw/zinc/43/38/36/289433836.db2.gz VNHUYTVUEHQMRP-UHFFFAOYSA-N -1 3 297.310 3.191 20 0 CGADHM Cc1cc([C@H](NCc2ncccc2[O-])C2CC2)ccc1F ZINC000563917800 322015193 /nfs/dbraw/zinc/01/51/93/322015193.db2.gz TZKYLDRMSJJOKV-QGZVFWFLSA-N -1 3 286.350 3.476 20 0 CGADHM O=C([O-])c1ccc(CN2CC[C@H](Oc3ccccc3)C2)cc1 ZINC000564962337 322051432 /nfs/dbraw/zinc/05/14/32/322051432.db2.gz BICXLYGAKONFPU-KRWDZBQOSA-N -1 3 297.354 3.038 20 0 CGADHM C[C@@H]1CCN(CCc2ccc(F)cc2Cl)C[C@H]1C(=O)[O-] ZINC000564969822 322051981 /nfs/dbraw/zinc/05/19/81/322051981.db2.gz CJXCKOJWJXLUPK-ZWNOBZJWSA-N -1 3 299.773 3.064 20 0 CGADHM Cc1cccc(Cl)c1CN1CCC[C@](C)(C(=O)[O-])C1 ZINC000565100724 322059462 /nfs/dbraw/zinc/05/94/62/322059462.db2.gz CLJCNHPGJULWCJ-HNNXBMFYSA-N -1 3 281.783 3.335 20 0 CGADHM CC(C)[C@H]1CCC[C@@H](NC(=O)Cc2cncc([O-])c2)CC1 ZINC000565214511 322066564 /nfs/dbraw/zinc/06/65/64/322066564.db2.gz PMWSPVDQFWTCDZ-LSDHHAIUSA-N -1 3 290.407 3.051 20 0 CGADHM CCSCC[C@H](C)N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC000565721756 322088522 /nfs/dbraw/zinc/08/85/22/322088522.db2.gz VEKUASVFCMEZBD-JTQLQIEISA-N -1 3 285.409 3.250 20 0 CGADHM [O-]c1cccnc1CSc1nc2ccccc2o1 ZINC000565988820 322099648 /nfs/dbraw/zinc/09/96/48/322099648.db2.gz BLAYDTGHOJYMSF-UHFFFAOYSA-N -1 3 258.302 3.221 20 0 CGADHM CCN(Cc1ccc(C(=O)[O-])o1)Cc1ccccc1C ZINC000566358643 322117730 /nfs/dbraw/zinc/11/77/30/322117730.db2.gz JUNXMSCBTYYVMU-UHFFFAOYSA-N -1 3 273.332 3.308 20 0 CGADHM CCOC[C@@H]1CCCN([C@@H](C)c2cc(C)c(C(=O)[O-])o2)C1 ZINC000566359035 322117940 /nfs/dbraw/zinc/11/79/40/322117940.db2.gz OMFOTFUNFCQDSD-QWHCGFSZSA-N -1 3 295.379 3.096 20 0 CGADHM Cc1oc(CN2CC[C@@]3(CC[C@H](C)C3)C2)cc1C(=O)[O-] ZINC000566362761 322118842 /nfs/dbraw/zinc/11/88/42/322118842.db2.gz WTVFWZZEQLQTGZ-MEDUHNTESA-N -1 3 277.364 3.298 20 0 CGADHM CCc1[n-][nH]c(=NC(=O)c2cccc(C(C)(C)C)c2)c1C ZINC000566464776 322124699 /nfs/dbraw/zinc/12/46/99/322124699.db2.gz GQRMLPKHJKJLBU-UHFFFAOYSA-N -1 3 285.391 3.252 20 0 CGADHM CCOC1(C)CCN([C@@H](C)c2cc(C(=O)[O-])c(C)o2)CC1 ZINC000566510072 322127734 /nfs/dbraw/zinc/12/77/34/322127734.db2.gz IOKYFEWHHGHHGS-NSHDSACASA-N -1 3 295.379 3.238 20 0 CGADHM O=C([O-])c1ccc(CN2CCC[C@]3(CC=CCC3)C2)nc1 ZINC000566566782 322129802 /nfs/dbraw/zinc/12/98/02/322129802.db2.gz GMZRXVVEXGSYLW-QGZVFWFLSA-N -1 3 286.375 3.102 20 0 CGADHM CC[C@@H](CCNCc1ccc(C)cc1Cl)C(=O)[O-] ZINC000567986042 322186873 /nfs/dbraw/zinc/18/68/73/322186873.db2.gz HFDIFJWLBFTCMG-NSHDSACASA-N -1 3 269.772 3.239 20 0 CGADHM C[C@@H]1CCN(Cc2nc(C(=O)[O-])cs2)[C@@H]2CCCC[C@@H]12 ZINC000568059969 322190566 /nfs/dbraw/zinc/19/05/66/322190566.db2.gz NGSSLPGHCVETHW-NTZNESFSSA-N -1 3 294.420 3.242 20 0 CGADHM CS[C@@H]1CCCCN(Cc2ccc(F)cc2C(=O)[O-])C1 ZINC000568065935 322191401 /nfs/dbraw/zinc/19/14/01/322191401.db2.gz LHPADNKNJAUOJD-CYBMUJFWSA-N -1 3 297.395 3.241 20 0 CGADHM C[C@@H](c1ccccc1Cl)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000568749831 322220772 /nfs/dbraw/zinc/22/07/72/322220772.db2.gz WVUQCPKVSYKHRY-MDZLAQPJSA-N -1 3 281.783 3.444 20 0 CGADHM C[C@H]1CCCCN1Cc1cc(C(=O)[O-])ccc1Cl ZINC000568772076 322222079 /nfs/dbraw/zinc/22/20/79/322222079.db2.gz KVTSFALHGALBMQ-JTQLQIEISA-N -1 3 267.756 3.413 20 0 CGADHM CN1CCCN(Cc2cc([O-])cc(F)c2)c2ccccc21 ZINC000569392348 322246130 /nfs/dbraw/zinc/24/61/30/322246130.db2.gz FSTSNBGBBDHFGT-UHFFFAOYSA-N -1 3 286.350 3.378 20 0 CGADHM C[C@@H](c1ncc(C(C)(C)C)o1)N1C[C@@H](C)[C@](C)(C(=O)[O-])C1 ZINC000569612255 322252126 /nfs/dbraw/zinc/25/21/26/322252126.db2.gz UQAZIGIOMYPBBN-OHUAYANFSA-N -1 3 294.395 3.076 20 0 CGADHM O=C1CCc2ccc(-c3nc4ccc(F)cc4c(=O)[n-]3)cc21 ZINC000570371555 322271965 /nfs/dbraw/zinc/27/19/65/322271965.db2.gz RWBUFRADFOXPCK-UHFFFAOYSA-N -1 3 294.285 3.270 20 0 CGADHM O=C([O-])c1sccc1CN1CCC[C@H]1c1ccco1 ZINC000570456847 322274026 /nfs/dbraw/zinc/27/40/26/322274026.db2.gz NXDVLFSLMZAXCK-NSHDSACASA-N -1 3 277.345 3.376 20 0 CGADHM Cc1sc(C(=O)[O-])cc1CN1CC[C@@H](OCC(C)C)C1 ZINC000572414585 322336013 /nfs/dbraw/zinc/33/60/13/322336013.db2.gz DBPAGJJIBPFNSV-CYBMUJFWSA-N -1 3 297.420 3.002 20 0 CGADHM CCc1[n-][nH]c(=NC(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)c1C ZINC000573991360 322418092 /nfs/dbraw/zinc/41/80/92/322418092.db2.gz NGUIPSLBDOOTHG-HZSPNIEDSA-N -1 3 289.423 3.247 20 0 CGADHM CO[C@H]1CCC[C@H](C(=O)Nc2c([O-])cccc2Cl)C1 ZINC000575760732 322488475 /nfs/dbraw/zinc/48/84/75/322488475.db2.gz WVGMNDPKESGXQQ-UWVGGRQHSA-N -1 3 283.755 3.189 20 0 CGADHM CC[C@H]1CCN(Cc2cc(C(=O)[O-])ccc2Cl)C1 ZINC000576523684 327034094 /nfs/dbraw/zinc/03/40/94/327034094.db2.gz UEBBARGDZJJLRI-JTQLQIEISA-N -1 3 267.756 3.270 20 0 CGADHM CC1(CC(=O)Nc2nnc(-c3cc4ccccc4o3)[n-]2)CC1 ZINC000582702475 329126633 /nfs/dbraw/zinc/12/66/33/329126633.db2.gz GASQCCCGPSROLA-UHFFFAOYSA-N -1 3 296.330 3.347 20 0 CGADHM CC1(CC(=O)Nc2nc(-c3cc4ccccc4o3)n[n-]2)CC1 ZINC000582702475 329126634 /nfs/dbraw/zinc/12/66/34/329126634.db2.gz GASQCCCGPSROLA-UHFFFAOYSA-N -1 3 296.330 3.347 20 0 CGADHM CC1(CC(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)CC1 ZINC000582702475 329126635 /nfs/dbraw/zinc/12/66/35/329126635.db2.gz GASQCCCGPSROLA-UHFFFAOYSA-N -1 3 296.330 3.347 20 0 CGADHM C[C@H]1CC[C@@H](C(=O)[O-])CN1Cc1cccc(C(F)F)c1 ZINC000397097297 329327839 /nfs/dbraw/zinc/32/78/39/329327839.db2.gz MTKLSXXJMVYUOB-GXFFZTMASA-N -1 3 283.318 3.309 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])c1cc(F)ccc1F ZINC000174890557 335168487 /nfs/dbraw/zinc/16/84/87/335168487.db2.gz RLJHYKVEKHENBN-UHFFFAOYSA-N -1 3 267.206 3.062 20 0 CGADHM C[C@H](C(=O)Nc1cc(F)ccc1[O-])c1cccc(F)c1 ZINC000174892146 335168952 /nfs/dbraw/zinc/16/89/52/335168952.db2.gz BKSYKIOGYWDSQP-VIFPVBQESA-N -1 3 277.270 3.413 20 0 CGADHM Cc1cc(C(=O)N2CC[C@](F)(c3ccccc3)C2)ccc1[O-] ZINC000576362879 335195057 /nfs/dbraw/zinc/19/50/57/335195057.db2.gz GCVXKAZTXZZTNN-GOSISDBHSA-N -1 3 299.345 3.412 20 0 CGADHM Cc1cc(CN2CC[C@@](C)(c3ccccc3)C2)oc1C(=O)[O-] ZINC000576523689 335214659 /nfs/dbraw/zinc/21/46/59/335214659.db2.gz UGFAMXBFBQMHCJ-GOSISDBHSA-N -1 3 299.370 3.450 20 0 CGADHM C[C@@H]1CC[C@H](C(=O)[O-])[C@H](C)N1Cc1ccccc1Cl ZINC000576599428 335224996 /nfs/dbraw/zinc/22/49/96/335224996.db2.gz JDQGYOGPRJIAKF-MDZLAQPJSA-N -1 3 281.783 3.414 20 0 CGADHM COCC1(C)CCN([C@H](C)c2cc(C)c(C(=O)[O-])o2)CC1 ZINC000576710115 335238669 /nfs/dbraw/zinc/23/86/69/335238669.db2.gz ATRBMMOETOKJFJ-GFCCVEGCSA-N -1 3 295.379 3.096 20 0 CGADHM CC[C@@H](C)Oc1ccc(C(=O)Nc2ncccc2[O-])cc1 ZINC000176120591 335240726 /nfs/dbraw/zinc/24/07/26/335240726.db2.gz BYUSUJFKHBPQHX-LLVKDONJSA-N -1 3 286.331 3.217 20 0 CGADHM C[C@@H](OCCCNC(=O)c1cccc([O-])c1)c1ccccc1 ZINC000192921500 335323206 /nfs/dbraw/zinc/32/32/06/335323206.db2.gz MBBUZQQPUNPBFL-CQSZACIVSA-N -1 3 299.370 3.290 20 0 CGADHM CCc1cc(C(=O)NCCCc2cccs2)ccc1[O-] ZINC000577256035 335330544 /nfs/dbraw/zinc/33/05/44/335330544.db2.gz JZXUNFDCRVNYER-UHFFFAOYSA-N -1 3 289.400 3.379 20 0 CGADHM Cc1cccc([O-])c1NC(=O)COc1ccccc1Cl ZINC000179555441 335500507 /nfs/dbraw/zinc/50/05/07/335500507.db2.gz DOIFCOILOOVLBK-UHFFFAOYSA-N -1 3 291.734 3.372 20 0 CGADHM [O-]c1ccccc1-c1nc(-c2ncsc2Cl)no1 ZINC000350573554 335515453 /nfs/dbraw/zinc/51/54/53/335515453.db2.gz GXHFYUBIEBAHAB-UHFFFAOYSA-N -1 3 279.708 3.219 20 0 CGADHM COc1cc(-c2noc(C(F)=C(C)C)n2)ccc1[O-] ZINC000350579264 335515996 /nfs/dbraw/zinc/51/59/96/335515996.db2.gz NVDZCQSRIAQVTI-UHFFFAOYSA-N -1 3 264.256 3.171 20 0 CGADHM CC(C)OC(C)(C)c1nc(-c2ccc([O-])cc2)no1 ZINC000351081518 335564731 /nfs/dbraw/zinc/56/47/31/335564731.db2.gz PXXYWVCWTHIQJM-UHFFFAOYSA-N -1 3 262.309 3.102 20 0 CGADHM CCC[C@H]1C[C@@H](C(=O)Nc2cccc([O-])c2F)CCO1 ZINC000182950022 335852425 /nfs/dbraw/zinc/85/24/25/335852425.db2.gz LQDUOXVOHXSAEA-QWRGUYRKSA-N -1 3 281.327 3.065 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)NC[C@H]1CC2CCC1CC2 ZINC000581490697 336088780 /nfs/dbraw/zinc/08/87/80/336088780.db2.gz QOPMSXXLYPMPFQ-UXUKBGGZSA-N -1 3 291.366 3.016 20 0 CGADHM COc1cc(CN2CC[C@@H](C)C[C@H]2C(=O)[O-])ccc1Cl ZINC000581554160 336102089 /nfs/dbraw/zinc/10/20/89/336102089.db2.gz VUWSINKYKXQVRM-MFKMUULPSA-N -1 3 297.782 3.034 20 0 CGADHM CCc1oc(C(=O)[O-])cc1CN1C[C@@H](C)CC[C@@H]1C ZINC000581949190 336175180 /nfs/dbraw/zinc/17/51/80/336175180.db2.gz SAFLSHKOLRDKLR-QWRGUYRKSA-N -1 3 265.353 3.161 20 0 CGADHM O=S(=O)([N-]C1CCCCC1)c1cc(F)cc(Cl)c1 ZINC000534418989 501080854 /nfs/dbraw/zinc/08/08/54/501080854.db2.gz KWJGFUIATVFAQT-UHFFFAOYSA-N -1 3 291.775 3.090 20 0 CGADHM C[C@@H]1C[C@H](c2noc(/C=C/c3cccc([O-])c3)n2)CCO1 ZINC000435957522 534006825 /nfs/dbraw/zinc/00/68/25/534006825.db2.gz LOKVAPGREMCKHX-ZFAUCMQBSA-N -1 3 286.331 3.228 20 0 CGADHM Cc1ccc(CN[C@@H](C(=O)[O-])c2cccc(F)c2)cc1C ZINC000426799912 534077953 /nfs/dbraw/zinc/07/79/53/534077953.db2.gz JXNOWRASQVSUAK-MRXNPFEDSA-N -1 3 287.334 3.358 20 0 CGADHM Cc1ccc(CN[C@@H](C(=O)[O-])c2ccccc2F)c(C)c1 ZINC000426797056 534078351 /nfs/dbraw/zinc/07/83/51/534078351.db2.gz FAQDVHSYKUDRQE-MRXNPFEDSA-N -1 3 287.334 3.358 20 0 CGADHM C[C@H]1Cc2ccccc2[C@@H]1NC(=O)c1ccccc1[O-] ZINC000436721791 534113960 /nfs/dbraw/zinc/11/39/60/534113960.db2.gz XZTNYJOTZUICKY-MEDUHNTESA-N -1 3 267.328 3.056 20 0 CGADHM Cc1ccc(-c2cc(C(=O)Nc3ccc(C)nc3C)n[n-]2)o1 ZINC000176196532 534179874 /nfs/dbraw/zinc/17/98/74/534179874.db2.gz UWTPYQSKZVFPKR-UHFFFAOYSA-N -1 3 296.330 3.242 20 0 CGADHM Cc1ccc(-c2cc(C(=O)Nc3ccc(C)nc3C)[n-]n2)o1 ZINC000176196532 534179878 /nfs/dbraw/zinc/17/98/78/534179878.db2.gz UWTPYQSKZVFPKR-UHFFFAOYSA-N -1 3 296.330 3.242 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2C[C@H](C)[C@H]3CCCC[C@H]32)c1 ZINC000248384230 518189379 /nfs/dbraw/zinc/18/93/79/518189379.db2.gz DEASOXAQHSXGES-GZBFAFLISA-N -1 3 273.376 3.351 20 0 CGADHM Cc1nc(CNCC2CCCCCC2)sc1C(=O)[O-] ZINC000426691550 534384274 /nfs/dbraw/zinc/38/42/74/534384274.db2.gz IWKRPEULIAHWJN-UHFFFAOYSA-N -1 3 282.409 3.210 20 0 CGADHM CC(C)(C)c1nc(C[S@](=O)c2ccc([O-])cc2)cs1 ZINC000108083326 519103249 /nfs/dbraw/zinc/10/32/49/519103249.db2.gz YNYXUXZXRBWSAP-LJQANCHMSA-N -1 3 295.429 3.454 20 0 CGADHM Cc1ccoc1CN(C)C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000436747097 534443697 /nfs/dbraw/zinc/44/36/97/534443697.db2.gz JUWLXMHQUOUGBG-UHFFFAOYSA-N -1 3 299.370 3.445 20 0 CGADHM [O-]c1ccc(-c2noc(COCc3ccccc3)n2)cc1 ZINC000404111819 534451198 /nfs/dbraw/zinc/45/11/98/534451198.db2.gz JWGPWKMCLMFFIE-UHFFFAOYSA-N -1 3 282.299 3.159 20 0 CGADHM [O-]c1ccc(-c2noc([C@H]3Cc4cc(F)ccc4O3)n2)cc1 ZINC000365445202 534451862 /nfs/dbraw/zinc/45/18/62/534451862.db2.gz FBWWMSAWUVIUDT-CQSZACIVSA-N -1 3 298.273 3.258 20 0 CGADHM CCCCc1nc(C[S@@](=O)c2cccc([O-])c2)cs1 ZINC000184074600 521308603 /nfs/dbraw/zinc/30/86/03/521308603.db2.gz UDKZUJBROPWODJ-LJQANCHMSA-N -1 3 295.429 3.499 20 0 CGADHM CCN(Cc1ccc(F)cc1Cl)C(C)(C)C(=O)[O-] ZINC000061177155 521314849 /nfs/dbraw/zinc/31/48/49/521314849.db2.gz PBZHYMKMAALRPP-UHFFFAOYSA-N -1 3 273.735 3.164 20 0 CGADHM Cc1cccc(C(=O)N(CC2CC2)C2CCC2)c1[O-] ZINC000436518759 534585405 /nfs/dbraw/zinc/58/54/05/534585405.db2.gz ZPKLSLQHOALMNU-UHFFFAOYSA-N -1 3 259.349 3.105 20 0 CGADHM Cc1cccc(C(=O)Nc2cccnc2OC(C)C)c1[O-] ZINC000436511315 534626519 /nfs/dbraw/zinc/62/65/19/534626519.db2.gz IOKSAVHRZKRSEP-UHFFFAOYSA-N -1 3 286.331 3.135 20 0 CGADHM O=C(NC[C@H]1CCCCC(F)(F)C1)c1ccc(O)cc1[O-] ZINC000436803057 534637491 /nfs/dbraw/zinc/63/74/91/534637491.db2.gz MGZSFVLTRBCBHR-JTQLQIEISA-N -1 3 299.317 3.043 20 0 CGADHM C[C@@H]1CCCN(Cc2ccc(C(=O)[O-])cc2F)[C@@H]1C ZINC000062752920 524231887 /nfs/dbraw/zinc/23/18/87/524231887.db2.gz WSUMSLFJYXFZNS-GHMZBOCLSA-N -1 3 265.328 3.144 20 0 CGADHM Cc1ccc(CN2Cc3ccccc3C[C@H]2C(=O)[O-])cc1 ZINC000061449114 524484890 /nfs/dbraw/zinc/48/48/90/524484890.db2.gz KQGOPXJMEWWOTB-KRWDZBQOSA-N -1 3 281.355 3.007 20 0 CGADHM CCCC1(CNC(=O)c2cc([O-])ccc2Cl)CC1 ZINC000232932447 534915300 /nfs/dbraw/zinc/91/53/00/534915300.db2.gz PMRMSTOATIFXMU-UHFFFAOYSA-N -1 3 267.756 3.356 20 0 CGADHM CC(C)(C)c1ccc(S(=O)(=O)[N-][C@H]2C=CCCC2)s1 ZINC000438958015 526788164 /nfs/dbraw/zinc/78/81/64/526788164.db2.gz KXEGRZUISSLLGU-NSHDSACASA-N -1 3 299.461 3.433 20 0 CGADHM CC(C)(CC(=O)NCc1ncccc1[O-])C1CCCCC1 ZINC000357177640 526968366 /nfs/dbraw/zinc/96/83/66/526968366.db2.gz ZCALJFOIZOTSKD-UHFFFAOYSA-N -1 3 290.407 3.400 20 0 CGADHM CC(C)(CNCc1c(Cl)oc2ccccc21)C(=O)[O-] ZINC000426702294 527169314 /nfs/dbraw/zinc/16/93/14/527169314.db2.gz GCWCMUYTFQASJY-UHFFFAOYSA-N -1 3 281.739 3.287 20 0 CGADHM O=C([N-]c1nc(C2CC2)cs1)c1nc(Cl)cs1 ZINC000279249136 527507277 /nfs/dbraw/zinc/50/72/77/527507277.db2.gz PBKGUNQFFRYCJQ-UHFFFAOYSA-N -1 3 285.781 3.383 20 0 CGADHM CC(C)[C@H]1CCC[C@H](NC(=O)c2c([O-])cccc2O)C1 ZINC000436646090 527791677 /nfs/dbraw/zinc/79/16/77/527791677.db2.gz FFFZZODJMLFODQ-RYUDHWBXSA-N -1 3 277.364 3.042 20 0 CGADHM CC(C)[C@H]1CCC[C@H](NC(=O)c2ccc(O)cc2[O-])C1 ZINC000436597088 527791962 /nfs/dbraw/zinc/79/19/62/527791962.db2.gz SYLLJVZGWLRVPJ-RYUDHWBXSA-N -1 3 277.364 3.042 20 0 CGADHM CC(C)c1ccc(C(=O)N2CC[C@H]2C(C)C)c([O-])c1 ZINC000436689548 528065748 /nfs/dbraw/zinc/06/57/48/528065748.db2.gz OKEOVSGUKQDCSI-AWEZNQCLSA-N -1 3 261.365 3.386 20 0 CGADHM CCCN(Cc1c(F)ccc([O-])c1F)CC1CC1 ZINC000438853642 528130600 /nfs/dbraw/zinc/13/06/00/528130600.db2.gz USNQEOMLLLRYHW-UHFFFAOYSA-N -1 3 255.308 3.292 20 0 CGADHM CCC[C@H]1CCC[C@@H]1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000448855787 528379972 /nfs/dbraw/zinc/37/99/72/528379972.db2.gz FWBLSQDWFKRXGS-FZMZJTMJSA-N -1 3 299.378 3.022 20 0 CGADHM CCC[C@H]1CCC[C@@H]1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000448855787 528379974 /nfs/dbraw/zinc/37/99/74/528379974.db2.gz FWBLSQDWFKRXGS-FZMZJTMJSA-N -1 3 299.378 3.022 20 0 CGADHM CCN(CCC1CC1)C(=O)Cc1ccc([O-])cc1Cl ZINC000355129633 528413680 /nfs/dbraw/zinc/41/36/80/528413680.db2.gz GARDZXPRQNNJLL-UHFFFAOYSA-N -1 3 281.783 3.237 20 0 CGADHM CCCc1cc(=O)[n-]c(C(=Cc2cncc(F)c2)CC)n1 ZINC000435335435 528568755 /nfs/dbraw/zinc/56/87/55/528568755.db2.gz IDJZSQZLEUYABK-WUXMJOGZSA-N -1 3 287.338 3.207 20 0 CGADHM CC(C)[C@H](CC(=O)[O-])NCc1cccc(Cl)c1F ZINC000426833411 528976423 /nfs/dbraw/zinc/97/64/23/528976423.db2.gz LQVOYHWUCWJJHW-NSHDSACASA-N -1 3 273.735 3.068 20 0 CGADHM CCN(C(=O)c1ccc2c(c1[O-])CCCC2)C1CCC1 ZINC000436973492 529088140 /nfs/dbraw/zinc/08/81/40/529088140.db2.gz XXVIWXLBKUPKQL-UHFFFAOYSA-N -1 3 273.376 3.286 20 0 CGADHM CCN(C(=O)c1cccc(C)c1[O-])c1ccc(OC)cc1 ZINC000436758275 529089071 /nfs/dbraw/zinc/08/90/71/529089071.db2.gz WTTWKTXFYMDYEN-UHFFFAOYSA-N -1 3 285.343 3.376 20 0 CGADHM CCN(C(=O)c1cccc(C)c1[O-])c1ccccc1OC ZINC000436531857 529089675 /nfs/dbraw/zinc/08/96/75/529089675.db2.gz HZPNSNIQEKSJIE-UHFFFAOYSA-N -1 3 285.343 3.376 20 0 CGADHM CC[C@H]1CCCN1C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436549592 529219797 /nfs/dbraw/zinc/21/97/97/529219797.db2.gz XRIMYEUVNFXXJV-AWEZNQCLSA-N -1 3 273.376 3.286 20 0 CGADHM CC[C@@H]1CC[C@H](C)N1C(=O)Cc1ccc([O-])cc1Cl ZINC000357974351 529342562 /nfs/dbraw/zinc/34/25/62/529342562.db2.gz NHEXJSOFULPAFQ-CMPLNLGQSA-N -1 3 281.783 3.378 20 0 CGADHM CCCCn1c(=O)[n-]nc1SC1CC(OC(C)(C)C)C1 ZINC000450715933 535137973 /nfs/dbraw/zinc/13/79/73/535137973.db2.gz ZHGFKMKWPUSJQV-UHFFFAOYSA-N -1 3 299.440 3.222 20 0 CGADHM CC1(/C=C/C(=O)Nc2c([O-])cccc2Cl)CCOCC1 ZINC000493359605 535270158 /nfs/dbraw/zinc/27/01/58/535270158.db2.gz VJCFKJJWADGQOL-AATRIKPKSA-N -1 3 295.766 3.357 20 0 CGADHM CCC[C@@H]1C[C@H]1C(=O)N1CCCc2cccc([O-])c21 ZINC000486904627 535473325 /nfs/dbraw/zinc/47/33/25/535473325.db2.gz PNWUYTPNQQNLKV-CHWSQXEVSA-N -1 3 259.349 3.108 20 0 CGADHM CCc1ccc2nccc(N3CCC[C@H](C(=O)[O-])C3)c2c1 ZINC000263392721 535834066 /nfs/dbraw/zinc/83/40/66/535834066.db2.gz GUGQWBLUQLBMPB-ZDUSSCGKSA-N -1 3 284.359 3.098 20 0 CGADHM CCc1cccc(C(=O)NC[C@@H](C)CC(F)(F)F)c1[O-] ZINC000516011250 535848410 /nfs/dbraw/zinc/84/84/10/535848410.db2.gz KPUAIQAPSFNXHN-VIFPVBQESA-N -1 3 289.297 3.273 20 0 CGADHM COCC1(CCNC(=O)c2cc([O-])c3ccccc3c2)CC1 ZINC000515385957 536818091 /nfs/dbraw/zinc/81/80/91/536818091.db2.gz GSTSCYQGIUAWNP-UHFFFAOYSA-N -1 3 299.370 3.092 20 0 CGADHM CC/C=C\COC(=O)c1cc(-c2ccc(C)o2)n[n-]1 ZINC000727044349 571706797 /nfs/dbraw/zinc/70/67/97/571706797.db2.gz SOHJGLVVJCVGRG-PLNGDYQASA-N -1 3 260.293 3.101 20 0 CGADHM CC/C=C\COC(=O)c1cc(-c2ccc(C)o2)[n-]n1 ZINC000727044349 571706799 /nfs/dbraw/zinc/70/67/99/571706799.db2.gz SOHJGLVVJCVGRG-PLNGDYQASA-N -1 3 260.293 3.101 20 0 CGADHM COc1ccc(NC(=O)[C@@H]2CC[C@@H](C)[C@H](C)C2)c([O-])c1 ZINC000451030690 571717703 /nfs/dbraw/zinc/71/77/03/571717703.db2.gz YFBUVVZIBBLNOG-IJLUTSLNSA-N -1 3 277.364 3.412 20 0 CGADHM C[C@H]1C[C@H](NC(=O)c2cc([O-])c3ccccc3c2)CS1 ZINC000334805276 571670560 /nfs/dbraw/zinc/67/05/60/571670560.db2.gz DYAMHSIJHACVBQ-GWCFXTLKSA-N -1 3 287.384 3.169 20 0 CGADHM O=C(N[C@@H]1CC[C@H](F)C1)c1cc([O-])c2ccccc2c1 ZINC000335675440 571751474 /nfs/dbraw/zinc/75/14/74/571751474.db2.gz OEUXOXWCVFTRMQ-QWHCGFSZSA-N -1 3 273.307 3.166 20 0 CGADHM CC(C)(C)c1nc(=S)n(CN2CCC[C@H]2C2CC2)[n-]1 ZINC000728560113 571811715 /nfs/dbraw/zinc/81/17/15/571811715.db2.gz MLCCGVDXICWNOC-NSHDSACASA-N -1 3 280.441 3.070 20 0 CGADHM O=C(Nc1ccc(-c2ncon2)cc1)c1cc2occc2[n-]1 ZINC000750864619 572330491 /nfs/dbraw/zinc/33/04/91/572330491.db2.gz OGAVADOYYCLBLC-UHFFFAOYSA-N -1 3 294.270 3.063 20 0 CGADHM O=C([O-])[C@@H]1CN(CCC2CCCC2)Cc2ccccc21 ZINC000379908348 572331681 /nfs/dbraw/zinc/33/16/81/572331681.db2.gz NANXKGINFCURJA-MRXNPFEDSA-N -1 3 273.376 3.251 20 0 CGADHM [O-]c1ccc(CNC(=S)Nc2ccc(F)cc2)cc1F ZINC000737462232 572346617 /nfs/dbraw/zinc/34/66/17/572346617.db2.gz YZDQQHUQUAQBGJ-UHFFFAOYSA-N -1 3 294.326 3.157 20 0 CGADHM CC[C@H](c1ccc(F)cc1)N1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000739279015 572407430 /nfs/dbraw/zinc/40/74/30/572407430.db2.gz PRKZTEUXOSQGKR-IUODEOHRSA-N -1 3 294.370 3.209 20 0 CGADHM C[C@H](OC(=O)c1cncc([O-])c1)c1cccc(Cl)c1 ZINC000732393169 572462135 /nfs/dbraw/zinc/46/21/35/572462135.db2.gz NATUXXNTZVSOSS-VIFPVBQESA-N -1 3 277.707 3.359 20 0 CGADHM CC[C@@H](NC[C@H]1CCCN1C(=O)[O-])c1ccc(F)cc1 ZINC000739275558 572539213 /nfs/dbraw/zinc/53/92/13/572539213.db2.gz ZTQJRMVSDZCVBE-ZIAGYGMSSA-N -1 3 280.343 3.009 20 0 CGADHM C[C@H]1CCC[C@@H](C(=O)Nc2n[n-]c(-c3cccs3)n2)C1 ZINC000741683778 572541849 /nfs/dbraw/zinc/54/18/49/572541849.db2.gz PCUPLHZBEJZAJN-VHSXEESVSA-N -1 3 290.392 3.298 20 0 CGADHM Cc1ccc2c(CC(=O)[N-]OCc3ccccc3)c[nH]c2c1 ZINC000726157410 572563620 /nfs/dbraw/zinc/56/36/20/572563620.db2.gz UHUDZYAGLFAQOL-UHFFFAOYSA-N -1 3 294.354 3.267 20 0 CGADHM C[C@@H](CC(=O)[N-]OCc1cccnc1)CC(C)(C)C ZINC000747174924 572573821 /nfs/dbraw/zinc/57/38/21/572573821.db2.gz UVMKUDIVJHIDTB-LBPRGKRZSA-N -1 3 264.369 3.092 20 0 CGADHM O=C(OCc1ccc2c(c1)CCC2)c1ccc([O-])cc1 ZINC000734564263 572667119 /nfs/dbraw/zinc/66/71/19/572667119.db2.gz YHBAJPUHPQWIPY-UHFFFAOYSA-N -1 3 268.312 3.238 20 0 CGADHM Cc1ccc(C(=O)N2CCC3(CCCC3)C2)c([O-])c1C ZINC000743767047 572681833 /nfs/dbraw/zinc/68/18/33/572681833.db2.gz CUIIHWXGUGEMNR-UHFFFAOYSA-N -1 3 273.376 3.415 20 0 CGADHM O=C([N-]c1nc(C2CC2)no1)c1cc2c(s1)CCCC2 ZINC000734878309 572689883 /nfs/dbraw/zinc/68/98/83/572689883.db2.gz IQCIQCRLBZCLER-UHFFFAOYSA-N -1 3 289.360 3.140 20 0 CGADHM C1=CC[C@]2(CC1)CCCN(c1ccc(-c3nnn[n-]3)cc1)C2 ZINC000735400484 572719559 /nfs/dbraw/zinc/71/95/59/572719559.db2.gz QKBKOZLSALMQFO-KRWDZBQOSA-N -1 3 295.390 3.193 20 0 CGADHM C1=CC[C@]2(CC1)CCCN(c1ccc(-c3nn[n-]n3)cc1)C2 ZINC000735400484 572719564 /nfs/dbraw/zinc/71/95/64/572719564.db2.gz QKBKOZLSALMQFO-KRWDZBQOSA-N -1 3 295.390 3.193 20 0 CGADHM CC(C)[C@@H](C)CNc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000735701136 572738331 /nfs/dbraw/zinc/73/83/31/572738331.db2.gz JZJAXMGQXQKZHH-NSHDSACASA-N -1 3 296.378 3.119 20 0 CGADHM CC(C)[C@@H](C)CNc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000735701136 572738335 /nfs/dbraw/zinc/73/83/35/572738335.db2.gz JZJAXMGQXQKZHH-NSHDSACASA-N -1 3 296.378 3.119 20 0 CGADHM C[C@H](CCC(C)(C)C)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000735985084 572756762 /nfs/dbraw/zinc/75/67/62/572756762.db2.gz ITYXTFFGYMSHQW-LLVKDONJSA-N -1 3 273.384 3.493 20 0 CGADHM C[C@H](CCC(C)(C)C)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000735985084 572756764 /nfs/dbraw/zinc/75/67/64/572756764.db2.gz ITYXTFFGYMSHQW-LLVKDONJSA-N -1 3 273.384 3.493 20 0 CGADHM C[C@@H](CC1CCCC1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000735984832 572757010 /nfs/dbraw/zinc/75/70/10/572757010.db2.gz HBBUYEDREMLWAJ-NSHDSACASA-N -1 3 299.378 3.022 20 0 CGADHM C[C@@H](CC1CCCC1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000735984832 572757012 /nfs/dbraw/zinc/75/70/12/572757012.db2.gz HBBUYEDREMLWAJ-NSHDSACASA-N -1 3 299.378 3.022 20 0 CGADHM CCCCOC(=O)[C@H](C)OC(=O)c1cc2ccsc2[n-]1 ZINC000744543169 572762337 /nfs/dbraw/zinc/76/23/37/572762337.db2.gz SUSXXEVUYASFPD-VIFPVBQESA-N -1 3 295.360 3.118 20 0 CGADHM CSCCCOC(=O)c1cc2ccsc2[n-]1 ZINC000744543598 572762625 /nfs/dbraw/zinc/76/26/25/572762625.db2.gz XOMAOSONIZTIGH-UHFFFAOYSA-N -1 3 255.364 3.139 20 0 CGADHM CCc1ccccc1CNc1ccc(-c2nnn[n-]2)cc1 ZINC000736702850 572806387 /nfs/dbraw/zinc/80/63/87/572806387.db2.gz XDBCDQRRZJKBBK-UHFFFAOYSA-N -1 3 279.347 3.041 20 0 CGADHM CCc1ccccc1CNc1ccc(-c2nn[n-]n2)cc1 ZINC000736702850 572806391 /nfs/dbraw/zinc/80/63/91/572806391.db2.gz XDBCDQRRZJKBBK-UHFFFAOYSA-N -1 3 279.347 3.041 20 0 CGADHM O=c1[n-]c(-c2cccc(Cl)n2)nc2cccc(F)c12 ZINC000736724956 572807100 /nfs/dbraw/zinc/80/71/00/572807100.db2.gz HUSNLIKBAITRNS-UHFFFAOYSA-N -1 3 275.670 3.190 20 0 CGADHM Cc1cccc(COC(=O)c2cc3ccsc3[n-]2)n1 ZINC000736752972 572808605 /nfs/dbraw/zinc/80/86/05/572808605.db2.gz HOCCQMRNXIBFDJ-UHFFFAOYSA-N -1 3 272.329 3.290 20 0 CGADHM CCC[C@@](C)(NCc1csc(-c2ccoc2)n1)C(=O)[O-] ZINC000736961896 572828134 /nfs/dbraw/zinc/82/81/34/572828134.db2.gz DKWDNVDIWUIOBS-CQSZACIVSA-N -1 3 294.376 3.136 20 0 CGADHM C[C@@H]1CN(C(=O)c2cc([O-])c3ccccc3c2)[C@H](C)[C@H](C)O1 ZINC000356011035 572841434 /nfs/dbraw/zinc/84/14/34/572841434.db2.gz PTPHPFKZXJEHBL-UPJWGTAASA-N -1 3 299.370 3.183 20 0 CGADHM Cc1ccc(Oc2ccccc2)c(NC(=O)c2nc[n-]n2)c1 ZINC000746207397 572860943 /nfs/dbraw/zinc/86/09/43/572860943.db2.gz GPGSWYZCWOCVGD-UHFFFAOYSA-N -1 3 294.314 3.158 20 0 CGADHM Cc1nc(COC(=O)c2cc3ccsc3[n-]2)oc1C ZINC000746552301 572879472 /nfs/dbraw/zinc/87/94/72/572879472.db2.gz FHRKAHIQGCYZHP-UHFFFAOYSA-N -1 3 276.317 3.191 20 0 CGADHM C/C(=C\C(=O)NCc1ccc([O-])c(F)c1)C(C)(C)C ZINC000748042496 572958390 /nfs/dbraw/zinc/95/83/90/572958390.db2.gz LFZHHHSXAGLPDQ-JXMROGBWSA-N -1 3 265.328 3.140 20 0 CGADHM CCCC[C@@H]1CCC[C@H]1[N-]C(=O)C(F)(F)C(F)F ZINC000749372532 572994104 /nfs/dbraw/zinc/99/41/04/572994104.db2.gz HUBKVLVMPWPCMX-RKDXNWHRSA-N -1 3 269.282 3.362 20 0 CGADHM Cc1ccc(CC(=O)[N-]OCc2cc(C)ccc2C)cc1 ZINC000749393156 572998029 /nfs/dbraw/zinc/99/80/29/572998029.db2.gz BOUKJGPUTCXLGJ-UHFFFAOYSA-N -1 3 283.371 3.402 20 0 CGADHM CC(C)CO[N-]C(=O)CCCOc1ccc(Cl)cc1 ZINC000750020808 573074100 /nfs/dbraw/zinc/07/41/00/573074100.db2.gz IXGHOCKJIGFLIK-UHFFFAOYSA-N -1 3 285.771 3.203 20 0 CGADHM Cc1ccc(CC[C@@H](C)Nc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822236192 599063047 /nfs/dbraw/zinc/06/30/47/599063047.db2.gz NOKTZHUBLQNPPL-LLVKDONJSA-N -1 3 297.362 3.201 20 0 CGADHM CC(C)[C@H](C)SCc1ccc(F)cc1-c1nnn[n-]1 ZINC000820021640 599129869 /nfs/dbraw/zinc/12/98/69/599129869.db2.gz XLKVMOALQSCQSO-VIFPVBQESA-N -1 3 280.372 3.284 20 0 CGADHM CC(C)[C@H](C)SCc1ccc(F)cc1-c1nn[n-]n1 ZINC000820021640 599129871 /nfs/dbraw/zinc/12/98/71/599129871.db2.gz XLKVMOALQSCQSO-VIFPVBQESA-N -1 3 280.372 3.284 20 0 CGADHM C[C@@H](Nc1ccc(F)cc1-c1nnn[n-]1)C1CCCCC1 ZINC000820455148 599577670 /nfs/dbraw/zinc/57/76/70/599577670.db2.gz FEXCDEKZAWLISO-SNVBAGLBSA-N -1 3 289.358 3.387 20 0 CGADHM C[C@@H](Nc1ccc(F)cc1-c1nn[n-]n1)C1CCCCC1 ZINC000820455148 599577672 /nfs/dbraw/zinc/57/76/72/599577672.db2.gz FEXCDEKZAWLISO-SNVBAGLBSA-N -1 3 289.358 3.387 20 0 CGADHM C[C@@H](CC(=O)[O-])N[C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000820071985 598163495 /nfs/dbraw/zinc/16/34/95/598163495.db2.gz MEDUYKBZZKFTBD-QWRGUYRKSA-N -1 3 290.388 3.324 20 0 CGADHM C[C@@H]1CCC[C@H](N(C)c2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000820698323 599470868 /nfs/dbraw/zinc/47/08/68/599470868.db2.gz SSUMBABHQATUMD-PWSUYJOCSA-N -1 3 289.358 3.021 20 0 CGADHM C[C@@H]1CCC[C@H](N(C)c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000820698323 599470871 /nfs/dbraw/zinc/47/08/71/599470871.db2.gz SSUMBABHQATUMD-PWSUYJOCSA-N -1 3 289.358 3.021 20 0 CGADHM Clc1ccc(NCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737575355 599509970 /nfs/dbraw/zinc/50/99/70/599509970.db2.gz RKJBOYYGYHBZCC-UHFFFAOYSA-N -1 3 285.738 3.132 20 0 CGADHM Clc1ccc(NCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737575355 599509967 /nfs/dbraw/zinc/50/99/67/599509967.db2.gz RKJBOYYGYHBZCC-UHFFFAOYSA-N -1 3 285.738 3.132 20 0 CGADHM O=C([O-])c1cccc(OCCN2CC[C@@H]2c2ccccc2)c1 ZINC000833331421 601008574 /nfs/dbraw/zinc/00/85/74/601008574.db2.gz ICGTUUOZSBRHJN-QGZVFWFLSA-N -1 3 297.354 3.211 20 0 CGADHM CCc1nc(C)c([C@H](C)N(C)C/C=C(/C)C(=O)[O-])s1 ZINC000830309609 601172681 /nfs/dbraw/zinc/17/26/81/601172681.db2.gz KPZHCTOGABUDBO-DVBBHNHCSA-N -1 3 282.409 3.038 20 0 CGADHM Cc1cccc(CN(CCC(=O)[O-])Cc2ccco2)c1 ZINC000107840791 601378656 /nfs/dbraw/zinc/37/86/56/601378656.db2.gz LMROVYBMLZWDRD-UHFFFAOYSA-N -1 3 273.332 3.065 20 0 CGADHM CC(C)=CCN(C)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000826647604 601902057 /nfs/dbraw/zinc/90/20/57/601902057.db2.gz HLWBVVHXHKXFFZ-CYBMUJFWSA-N -1 3 287.281 3.128 20 0 CGADHM CN(Cc1c(F)cccc1Cl)C1(C(=O)[O-])CCCC1 ZINC000311651452 604457845 /nfs/dbraw/zinc/45/78/45/604457845.db2.gz DWTHFVDKWYGGOD-UHFFFAOYSA-N -1 3 285.746 3.308 20 0 CGADHM CC(C)(C)C1=CCN(Cc2occc2C(=O)[O-])CC1 ZINC000382502563 604771217 /nfs/dbraw/zinc/77/12/17/604771217.db2.gz RKDUKTCZZRNFDT-UHFFFAOYSA-N -1 3 263.337 3.156 20 0 CGADHM Cc1cc(C)cc([C@@H](C)N[C@@H](C(=O)[O-])c2cccnc2)c1 ZINC000832874570 605000785 /nfs/dbraw/zinc/00/07/85/605000785.db2.gz JLNGIONGIJGERV-CZUORRHYSA-N -1 3 284.359 3.175 20 0 CGADHM C[C@]1(NCc2csc(C3CC3)n2)CCCC[C@H]1C(=O)[O-] ZINC000833569210 605061210 /nfs/dbraw/zinc/06/12/10/605061210.db2.gz KGSLODVMLSHVSC-WFASDCNBSA-N -1 3 294.420 3.144 20 0 CGADHM c1cc2cccc(Nc3ncccc3-c3nnn[n-]3)c2s1 ZINC000826525367 607737718 /nfs/dbraw/zinc/73/77/18/607737718.db2.gz HCGBJRMFEICBJI-UHFFFAOYSA-N -1 3 294.343 3.220 20 0 CGADHM c1cc2cccc(Nc3ncccc3-c3nn[n-]n3)c2s1 ZINC000826525367 607737719 /nfs/dbraw/zinc/73/77/19/607737719.db2.gz HCGBJRMFEICBJI-UHFFFAOYSA-N -1 3 294.343 3.220 20 0 CGADHM O=C([O-])N1CCC[C@@H]1C1CCN(Cc2ccsc2)CC1 ZINC000834105734 605496269 /nfs/dbraw/zinc/49/62/69/605496269.db2.gz IGRMFZPWCKNKJD-CQSZACIVSA-N -1 3 294.420 3.103 20 0 CGADHM Cc1cccc([C@@H](C)Nc2ccc(-c3nnn[n-]3)nc2)c1C ZINC000822289569 606087700 /nfs/dbraw/zinc/08/77/00/606087700.db2.gz ZTCAJZSFBSGJPD-GFCCVEGCSA-N -1 3 294.362 3.052 20 0 CGADHM Cc1cccc([C@@H](C)Nc2ccc(-c3nn[n-]n3)nc2)c1C ZINC000822289569 606087705 /nfs/dbraw/zinc/08/77/05/606087705.db2.gz ZTCAJZSFBSGJPD-GFCCVEGCSA-N -1 3 294.362 3.052 20 0 CGADHM CCc1cccc(C)c1NCc1cccc(-c2nnn[n-]2)c1 ZINC000821491896 606446766 /nfs/dbraw/zinc/44/67/66/606446766.db2.gz BHCNFPGEYYEKFO-UHFFFAOYSA-N -1 3 293.374 3.350 20 0 CGADHM CCc1cccc(C)c1NCc1cccc(-c2nn[n-]n2)c1 ZINC000821491896 606446768 /nfs/dbraw/zinc/44/67/68/606446768.db2.gz BHCNFPGEYYEKFO-UHFFFAOYSA-N -1 3 293.374 3.350 20 0 CGADHM Fc1ccc(-c2nnn[n-]2)c(CSC2CCCC2)c1 ZINC000822758529 607038921 /nfs/dbraw/zinc/03/89/21/607038921.db2.gz QODQPWSOQWOMJA-UHFFFAOYSA-N -1 3 278.356 3.182 20 0 CGADHM Fc1ccc(-c2nn[n-]n2)c(CSC2CCCC2)c1 ZINC000822758529 607038922 /nfs/dbraw/zinc/03/89/22/607038922.db2.gz QODQPWSOQWOMJA-UHFFFAOYSA-N -1 3 278.356 3.182 20 0 CGADHM Clc1ccc(Cn2ccc(-c3nnn[n-]3)c2)cc1Cl ZINC000826351831 607890966 /nfs/dbraw/zinc/89/09/66/607890966.db2.gz CNVMWSNHSLOFTO-UHFFFAOYSA-N -1 3 294.145 3.023 20 0 CGADHM Clc1ccc(Cn2ccc(-c3nn[n-]n3)c2)cc1Cl ZINC000826351831 607890967 /nfs/dbraw/zinc/89/09/67/607890967.db2.gz CNVMWSNHSLOFTO-UHFFFAOYSA-N -1 3 294.145 3.023 20 0 CGADHM COc1ccc(N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826210459 609161193 /nfs/dbraw/zinc/16/11/93/609161193.db2.gz SHRMNTOLFJLINW-NSHDSACASA-N -1 3 295.346 3.048 20 0 CGADHM COc1ccc(N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826210459 609161195 /nfs/dbraw/zinc/16/11/95/609161195.db2.gz SHRMNTOLFJLINW-NSHDSACASA-N -1 3 295.346 3.048 20 0 CGADHM Cc1ccc(-c2nnn[n-]2)cc1OCc1ccc(CF)cc1 ZINC000826279181 609267499 /nfs/dbraw/zinc/26/74/99/609267499.db2.gz IESFALWOWOKORN-UHFFFAOYSA-N -1 3 298.321 3.224 20 0 CGADHM Cc1ccc(-c2nn[n-]n2)cc1OCc1ccc(CF)cc1 ZINC000826279181 609267502 /nfs/dbraw/zinc/26/75/02/609267502.db2.gz IESFALWOWOKORN-UHFFFAOYSA-N -1 3 298.321 3.224 20 0 CGADHM CCOc1ccc(-c2nnn[n-]2)cc1NC1CCCCC1 ZINC000825626310 609475495 /nfs/dbraw/zinc/47/54/95/609475495.db2.gz JNVBRQMEKREKSW-UHFFFAOYSA-N -1 3 287.367 3.010 20 0 CGADHM CCOc1ccc(-c2nn[n-]n2)cc1NC1CCCCC1 ZINC000825626310 609475498 /nfs/dbraw/zinc/47/54/98/609475498.db2.gz JNVBRQMEKREKSW-UHFFFAOYSA-N -1 3 287.367 3.010 20 0 CGADHM Cc1ccc(CC(=O)[N-]OCc2ccccc2)cc1C ZINC000070271364 617952480 /nfs/dbraw/zinc/95/24/80/617952480.db2.gz JNGPJRCMUFCXNZ-UHFFFAOYSA-N -1 3 269.344 3.094 20 0 CGADHM O=C(/C=C\c1ccccc1)Nc1cc(F)ccc1[O-] ZINC000255169673 618030509 /nfs/dbraw/zinc/03/05/09/618030509.db2.gz VHMHGDSPCQPDKM-TWGQIWQCSA-N -1 3 257.264 3.183 20 0 CGADHM Cc1oc(C(=O)[O-])cc1CN[C@H](C)c1ccc(C)cc1 ZINC000235190608 618737701 /nfs/dbraw/zinc/73/77/01/618737701.db2.gz BLBDIKOJMWPFFY-LLVKDONJSA-N -1 3 273.332 3.445 20 0 CGADHM O=C(OCCC1(O)CCC1)c1cc2sccc2c([O-])c1 ZINC000840523052 618954513 /nfs/dbraw/zinc/95/45/13/618954513.db2.gz GXXVFMOONJMFBB-UHFFFAOYSA-N -1 3 292.356 3.069 20 0 CGADHM CCCc1nc(C)c(CNCc2ccc([O-])c(F)c2)o1 ZINC000894595437 619587878 /nfs/dbraw/zinc/58/78/78/619587878.db2.gz YCUSMUDMPISTOW-UHFFFAOYSA-N -1 3 278.327 3.070 20 0 CGADHM Cc1ccc(CO[N-]C(=O)CCCc2ccccc2)c(C)n1 ZINC000185366561 625353718 /nfs/dbraw/zinc/35/37/18/625353718.db2.gz PRHGOZKLIQXNAA-UHFFFAOYSA-N -1 3 298.386 3.269 20 0 CGADHM CSCCO[N-]C(=O)C[C@@H]1CCCC(C)(C)C1 ZINC000794190831 619740089 /nfs/dbraw/zinc/74/00/89/619740089.db2.gz KOGASCDJBZBQMP-NSHDSACASA-N -1 3 259.415 3.004 20 0 CGADHM Cc1nc(COC(=O)c2ccc([O-])cc2)nc2ccccc12 ZINC000025272846 619826908 /nfs/dbraw/zinc/82/69/08/619826908.db2.gz IVZVQMXKWBYPCM-UHFFFAOYSA-N -1 3 294.310 3.001 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])c1cccc(Cl)n1 ZINC000130295222 620364551 /nfs/dbraw/zinc/36/45/51/620364551.db2.gz SDQJRBUNTFYIAF-UHFFFAOYSA-N -1 3 283.114 3.346 20 0 CGADHM CCCCC[C@@H](C)CC(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000898216052 620488668 /nfs/dbraw/zinc/48/86/68/620488668.db2.gz LYKXESLPQKADLP-OLZOCXBDSA-N -1 3 293.411 3.038 20 0 CGADHM CCCCCC[C@@H](C)C(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898216105 620488993 /nfs/dbraw/zinc/48/89/93/620488993.db2.gz NDZVUDPSSHQGTH-CHWSQXEVSA-N -1 3 293.411 3.038 20 0 CGADHM CCCCC[C@@H](CC)C(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898217866 620489032 /nfs/dbraw/zinc/48/90/32/620489032.db2.gz UGJCBSKADUFDHK-CHWSQXEVSA-N -1 3 293.411 3.038 20 0 CGADHM CC(C)c1cncc(NC(=O)Cc2ccc([O-])c(F)c2)c1 ZINC000888238256 620541202 /nfs/dbraw/zinc/54/12/02/620541202.db2.gz JBXVZQYVCCOEAH-UHFFFAOYSA-N -1 3 288.322 3.231 20 0 CGADHM O=C(C[C@H]1CCC2(CCC2)CO1)Nc1cccc([O-])c1F ZINC000901241811 620845533 /nfs/dbraw/zinc/84/55/33/620845533.db2.gz AXLIEVWIEMWYRG-LLVKDONJSA-N -1 3 293.338 3.209 20 0 CGADHM CCc1cc(=O)[n-]c(CSCc2cc(C)cc(C)n2)n1 ZINC000901770098 621018402 /nfs/dbraw/zinc/01/84/02/621018402.db2.gz SDLPGBFCYRERQC-UHFFFAOYSA-N -1 3 289.404 3.190 20 0 CGADHM CC(C)C[C@H](C)CN[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC000901912167 621068250 /nfs/dbraw/zinc/06/82/50/621068250.db2.gz PULUQSKHGDWMSC-UWVGGRQHSA-N -1 3 270.398 3.174 20 0 CGADHM CCc1oc(CNCCc2ccccc2F)cc1C(=O)[O-] ZINC000902071659 621125664 /nfs/dbraw/zinc/12/56/64/621125664.db2.gz FTNPBQQGNRRRNE-UHFFFAOYSA-N -1 3 291.322 3.012 20 0 CGADHM Cc1csc(CN[C@H](C)CCCC(C)(C)C(=O)[O-])n1 ZINC000902085489 621139189 /nfs/dbraw/zinc/13/91/89/621139189.db2.gz AEMIWPQIKNQSHM-SNVBAGLBSA-N -1 3 284.425 3.211 20 0 CGADHM O=C([O-])c1ccc(CN[C@H](c2cccs2)C2CC2)o1 ZINC000902087463 621141184 /nfs/dbraw/zinc/14/11/84/621141184.db2.gz KZCROBJNUJRYRY-ZDUSSCGKSA-N -1 3 277.345 3.280 20 0 CGADHM O=C([O-])c1csc(CN[C@@H]2CCc3ccc(F)cc32)c1 ZINC000902235781 621205629 /nfs/dbraw/zinc/20/56/29/621205629.db2.gz NGXXISNZTAKMAP-CQSZACIVSA-N -1 3 291.347 3.363 20 0 CGADHM COc1cc(C)cc(CNCc2csc(C(=O)[O-])c2)c1 ZINC000902299396 621244420 /nfs/dbraw/zinc/24/44/20/621244420.db2.gz XZVGFDGLJGJVCE-UHFFFAOYSA-N -1 3 291.372 3.053 20 0 CGADHM O=C([O-])CC1CCC(N[C@H]2C[C@@]2(F)c2ccccc2)CC1 ZINC000902339512 621252507 /nfs/dbraw/zinc/25/25/07/621252507.db2.gz ACFFTNOHJKVNHN-IBGATYGBSA-N -1 3 291.366 3.247 20 0 CGADHM O=C([O-])c1occc1CN[C@H]1CCCc2ccc(F)cc21 ZINC000902399214 621305072 /nfs/dbraw/zinc/30/50/72/621305072.db2.gz ZVGZULDXBXTYIK-AWEZNQCLSA-N -1 3 289.306 3.284 20 0 CGADHM CC[C@@H](CNCc1csc(-c2cccs2)n1)C(=O)[O-] ZINC000903705256 621794022 /nfs/dbraw/zinc/79/40/22/621794022.db2.gz SEVYGIUXCUIHSD-VIFPVBQESA-N -1 3 296.417 3.072 20 0 CGADHM CC(C)N(Cc1occ(C(F)(F)F)c1C(=O)[O-])C1CC1 ZINC000903889883 621822915 /nfs/dbraw/zinc/82/29/15/621822915.db2.gz RCHMAAPWOQDTNM-UHFFFAOYSA-N -1 3 291.269 3.369 20 0 CGADHM O=C([O-])c1cccc2c1OCCN(CCC1CCCC1)C2 ZINC000903922293 621833467 /nfs/dbraw/zinc/83/34/67/621833467.db2.gz XPSDIWNIJBVQMN-UHFFFAOYSA-N -1 3 289.375 3.160 20 0 CGADHM CSCC1CCN([C@@H](C)c2cc(C)c(C(=O)[O-])o2)CC1 ZINC000903917832 621836376 /nfs/dbraw/zinc/83/63/76/621836376.db2.gz YSBOUFMPWJOWLU-NSHDSACASA-N -1 3 297.420 3.422 20 0 CGADHM O=C([O-])N[C@H]1C[C@@H](NCc2ccccc2Cl)C12CCC2 ZINC000904203367 621889235 /nfs/dbraw/zinc/88/92/35/621889235.db2.gz JVMGNKYKVUGXGP-OLZOCXBDSA-N -1 3 294.782 3.008 20 0 CGADHM CC(C)[C@H](NCc1ccc(C(=O)[O-])cn1)c1ccccc1 ZINC000905719375 622098768 /nfs/dbraw/zinc/09/87/68/622098768.db2.gz QUTYNRQJZBLQGP-INIZCTEOSA-N -1 3 284.359 3.267 20 0 CGADHM Cc1ccc(NC([O-])=NO[C@@H]2CCCCO2)c(Cl)c1 ZINC000155442698 622351775 /nfs/dbraw/zinc/35/17/75/622351775.db2.gz PWRSIWLMEHARFM-GFCCVEGCSA-N -1 3 284.743 3.228 20 0 CGADHM Cc1ccc(NC(=O)[N-]O[C@@H]2CCCCO2)c(Cl)c1 ZINC000155442698 622351782 /nfs/dbraw/zinc/35/17/82/622351782.db2.gz PWRSIWLMEHARFM-GFCCVEGCSA-N -1 3 284.743 3.228 20 0 CGADHM Cc1nnsc1[C@@H](C)OC(=O)c1cccc(Cl)c1[O-] ZINC000909143860 622399976 /nfs/dbraw/zinc/39/99/76/622399976.db2.gz QANNAZGPJWQRJP-SSDOTTSWSA-N -1 3 298.751 3.124 20 0 CGADHM CCCN(CC(=O)[O-])Cc1ccc(C(C)(C)C)s1 ZINC000166282330 622880687 /nfs/dbraw/zinc/88/06/87/622880687.db2.gz VXYNSWYFNKTMPW-UHFFFAOYSA-N -1 3 269.410 3.342 20 0 CGADHM CCO[C@H](c1noc(-c2cc(OC)ccc2[O-])n1)C(C)C ZINC000157403726 622900902 /nfs/dbraw/zinc/90/09/02/622900902.db2.gz MFWGDRCUYZBSFM-ZDUSSCGKSA-N -1 3 292.335 3.184 20 0 CGADHM Cc1ccc(C(=O)N2CCc3c(C)cccc3C2)c([O-])c1 ZINC000170923815 623112958 /nfs/dbraw/zinc/11/29/58/623112958.db2.gz LBAMDXILIOFHPZ-UHFFFAOYSA-N -1 3 281.355 3.208 20 0 CGADHM CCO[N-]C(=O)CC1CCC(c2ccccc2)CC1 ZINC000170979310 623121615 /nfs/dbraw/zinc/12/16/15/623121615.db2.gz MTYAKUYDRUDIQN-UHFFFAOYSA-N -1 3 261.365 3.418 20 0 CGADHM CCC(CC)(CNC(=O)c1ccc(OC)cc1[O-])SC ZINC000231678733 623339463 /nfs/dbraw/zinc/33/94/63/623339463.db2.gz BPZWLVNJHCYJQN-UHFFFAOYSA-N -1 3 297.420 3.052 20 0 CGADHM CCCc1ccc(NC([O-])=NO[C@@H]2CCCCO2)cc1 ZINC000153901804 624123719 /nfs/dbraw/zinc/12/37/19/624123719.db2.gz PBJIOFGWHQMVKP-CQSZACIVSA-N -1 3 278.352 3.219 20 0 CGADHM CCCc1ccc(NC(=O)[N-]O[C@@H]2CCCCO2)cc1 ZINC000153901804 624123720 /nfs/dbraw/zinc/12/37/20/624123720.db2.gz PBJIOFGWHQMVKP-CQSZACIVSA-N -1 3 278.352 3.219 20 0 CGADHM CC(C)=CC(=O)Nc1cc(Br)ccc1[O-] ZINC000155152217 624436666 /nfs/dbraw/zinc/43/66/66/624436666.db2.gz HWZZGYZMSPAJON-UHFFFAOYSA-N -1 3 270.126 3.059 20 0 CGADHM Cc1ccc(-c2cc(C(=O)OC3CCCC3)n[n-]2)o1 ZINC000920127094 624450934 /nfs/dbraw/zinc/45/09/34/624450934.db2.gz XMVMUCDBTXTMNG-UHFFFAOYSA-N -1 3 260.293 3.078 20 0 CGADHM Cc1ccc(-c2cc(C(=O)OC3CCCC3)[n-]n2)o1 ZINC000920127094 624450936 /nfs/dbraw/zinc/45/09/36/624450936.db2.gz XMVMUCDBTXTMNG-UHFFFAOYSA-N -1 3 260.293 3.078 20 0 CGADHM CCC/C=C\C(=O)Nc1ccc(Br)cc1[O-] ZINC000920457285 624498376 /nfs/dbraw/zinc/49/83/76/624498376.db2.gz LGPSCCMTYPEDAP-PLNGDYQASA-N -1 3 284.153 3.450 20 0 CGADHM C[C@@H](CN(Cc1ccco1)Cc1ccccc1)C(=O)[O-] ZINC000071736191 625143998 /nfs/dbraw/zinc/14/39/98/625143998.db2.gz FVVSYCCMBVWULX-ZDUSSCGKSA-N -1 3 273.332 3.003 20 0 CGADHM Cc1ccc(/C=C/S(=O)(=O)[N-]c2ccccc2O)cc1 ZINC000080923765 625174706 /nfs/dbraw/zinc/17/47/06/625174706.db2.gz GGJOKBTZZFGGIT-ZHACJKMWSA-N -1 3 289.356 3.113 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)OC[C@@H]1CCC(F)(F)C1 ZINC000838144583 626196529 /nfs/dbraw/zinc/19/65/29/626196529.db2.gz JAKBXHNVKPXALS-SNVBAGLBSA-N -1 3 288.265 3.052 20 0 CGADHM CCCCC[C@H](C(=O)[N-]O[C@H]1CCCCO1)C(C)C ZINC000755281731 626612029 /nfs/dbraw/zinc/61/20/29/626612029.db2.gz UZUCGQYHKVOELN-KBPBESRZSA-N -1 3 271.401 3.413 20 0 CGADHM O=C([N-]c1ccon1)c1cc(-c2ccccc2)ns1 ZINC000755771216 626645239 /nfs/dbraw/zinc/64/52/39/626645239.db2.gz SRSJHZMQCNSVOX-UHFFFAOYSA-N -1 3 271.301 3.050 20 0 CGADHM O=C([N-]c1nc2c(s1)CCCCC2)c1cc(Cl)no1 ZINC000874115557 634518048 /nfs/dbraw/zinc/51/80/48/634518048.db2.gz IKXXJKAUTBTXFQ-UHFFFAOYSA-N -1 3 297.767 3.306 20 0 CGADHM Cc1nnc([N-]C(=O)c2c(C)occ2C(F)(F)F)s1 ZINC000874125999 634519225 /nfs/dbraw/zinc/51/92/25/634519225.db2.gz BNIHRZOOOQWBEO-UHFFFAOYSA-N -1 3 291.254 3.019 20 0 CGADHM CSc1cc(C)ccc1C[N-]C(=O)C(F)(F)C(F)F ZINC000756995820 626746110 /nfs/dbraw/zinc/74/61/10/626746110.db2.gz AYNMRKMSCDJVDA-UHFFFAOYSA-N -1 3 295.301 3.234 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CCc3c(F)cccc3C2)c1 ZINC000757925066 626814826 /nfs/dbraw/zinc/81/48/26/626814826.db2.gz KLEIIKUKGCDZLL-UHFFFAOYSA-N -1 3 299.345 3.292 20 0 CGADHM COc1ccc2nc(-c3cc(C)c(F)c(C)c3)[n-]c(=O)c2c1 ZINC000759118033 626874979 /nfs/dbraw/zinc/87/49/79/626874979.db2.gz REZUUCLSGJXJOB-UHFFFAOYSA-N -1 3 298.317 3.355 20 0 CGADHM CCOc1cc(C=Cc2nccc(=O)[n-]2)cc(Cl)c1O ZINC000764442831 627207782 /nfs/dbraw/zinc/20/77/82/627207782.db2.gz QRTRJNLLMYKZLO-ARJAWSKDSA-N -1 3 292.722 3.110 20 0 CGADHM O=C([N-]CCCSCC1CCCCC1)C(F)(F)F ZINC000769358792 627545049 /nfs/dbraw/zinc/54/50/49/627545049.db2.gz RARDOMXKXFCHIZ-UHFFFAOYSA-N -1 3 283.359 3.369 20 0 CGADHM COCc1ccc(NC(=O)c2ccc(C)c(C)c2[O-])cc1 ZINC000769522469 627562552 /nfs/dbraw/zinc/56/25/52/627562552.db2.gz OTFJDJXWKZOZDL-UHFFFAOYSA-N -1 3 285.343 3.408 20 0 CGADHM Cc1cc(=O)[n-]c(CSCc2ccc3ncccc3c2)n1 ZINC000769845384 627583081 /nfs/dbraw/zinc/58/30/81/627583081.db2.gz DXOVEDCQTVAYEK-UHFFFAOYSA-N -1 3 297.383 3.472 20 0 CGADHM CC[C@H](CC(=O)[N-]OC1CCOCC1)c1ccc(C)cc1 ZINC000772725270 627817796 /nfs/dbraw/zinc/81/77/96/627817796.db2.gz LSLBOVOUUNWMFU-CQSZACIVSA-N -1 3 291.391 3.106 20 0 CGADHM CSCc1cccc(NC([O-])=NO[C@@H]2CCCCO2)c1 ZINC000775613438 628114217 /nfs/dbraw/zinc/11/42/17/628114217.db2.gz PVSXXKYMFJXQMY-CYBMUJFWSA-N -1 3 296.392 3.129 20 0 CGADHM CSCc1cccc(NC(=O)[N-]O[C@@H]2CCCCO2)c1 ZINC000775613438 628114221 /nfs/dbraw/zinc/11/42/21/628114221.db2.gz PVSXXKYMFJXQMY-CYBMUJFWSA-N -1 3 296.392 3.129 20 0 CGADHM Cc1nc(C)c(COC(=O)c2cccc(Cl)c2[O-])s1 ZINC000775929907 628149861 /nfs/dbraw/zinc/14/98/61/628149861.db2.gz MRIJVHUENPPASU-UHFFFAOYSA-N -1 3 297.763 3.476 20 0 CGADHM O=C(Cc1c[nH]c2ccccc12)[N-]OC1CCCCC1 ZINC000777960743 628314495 /nfs/dbraw/zinc/31/44/95/628314495.db2.gz ZBGHTXOSMRLYGY-UHFFFAOYSA-N -1 3 272.348 3.091 20 0 CGADHM O=C(CCCOCc1ccccc1)[N-]OC1CCCCC1 ZINC000777962103 628315198 /nfs/dbraw/zinc/31/51/98/628315198.db2.gz PTQBRLAYGDYZOA-UHFFFAOYSA-N -1 3 291.391 3.364 20 0 CGADHM O=C(Cc1cc(F)c(F)cc1F)[N-]OC1CCCCC1 ZINC000777966073 628316852 /nfs/dbraw/zinc/31/68/52/628316852.db2.gz YTGBFWKTWHWYEE-UHFFFAOYSA-N -1 3 287.281 3.027 20 0 CGADHM O=C(OCc1c(F)cccc1F)c1ccc([O-])cc1 ZINC000780059941 628454076 /nfs/dbraw/zinc/45/40/76/628454076.db2.gz QSUONIWVCQRWCJ-UHFFFAOYSA-N -1 3 264.227 3.027 20 0 CGADHM CCCCCC[C@@H](C)NC(=O)c1cccc2n[n-]nc21 ZINC000780978983 628527770 /nfs/dbraw/zinc/52/77/70/628527770.db2.gz MANVOYUIHUARGD-LLVKDONJSA-N -1 3 274.368 3.047 20 0 CGADHM O=C(OCc1c(F)cccc1F)c1cc2occc2[n-]1 ZINC000786029541 628908234 /nfs/dbraw/zinc/90/82/34/628908234.db2.gz FKKVVQPMZODCMI-UHFFFAOYSA-N -1 3 277.226 3.396 20 0 CGADHM O=C(OCc1nc2ccccc2o1)c1cc2occc2[n-]1 ZINC000786032180 628908843 /nfs/dbraw/zinc/90/88/43/628908843.db2.gz SPZYIBXCCJVBQF-UHFFFAOYSA-N -1 3 282.255 3.259 20 0 CGADHM CC[C@@H](OC(=O)c1cc2occc2[n-]1)C(=O)OC(C)(C)C ZINC000786030556 628908994 /nfs/dbraw/zinc/90/89/94/628908994.db2.gz SFJPWCCZMWEDKL-LLVKDONJSA-N -1 3 293.319 3.038 20 0 CGADHM Cc1cccc(C(=O)Nc2cccc(C(C)(C)O)c2)c1[O-] ZINC000790066742 629181714 /nfs/dbraw/zinc/18/17/14/629181714.db2.gz WLLWCOBADMUYEH-UHFFFAOYSA-N -1 3 285.343 3.180 20 0 CGADHM CC(C)C1CN(C(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000792272831 629353251 /nfs/dbraw/zinc/35/32/51/629353251.db2.gz OITNNMBKAOKYIU-UHFFFAOYSA-N -1 3 269.344 3.273 20 0 CGADHM CCO[C@H](CO[N-]C(=O)CCC1CCCCC1)C1CC1 ZINC000863456868 629576667 /nfs/dbraw/zinc/57/66/67/629576667.db2.gz LYLJHPNQRSFYEF-OAHLLOKOSA-N -1 3 283.412 3.210 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)CCSc1ccc(F)cc1 ZINC000794865340 629591546 /nfs/dbraw/zinc/59/15/46/629591546.db2.gz PZXKDPYWUCMHPM-LLVKDONJSA-N -1 3 285.384 3.402 20 0 CGADHM CC(C)c1ccc(C(=O)N[C@@H](C)c2ccns2)c([O-])c1 ZINC000863611893 629621576 /nfs/dbraw/zinc/62/15/76/629621576.db2.gz ZTQIXBCISBLFDO-JTQLQIEISA-N -1 3 290.388 3.463 20 0 CGADHM CC(C)(C)c1csc(CNCC2(CC(=O)[O-])CCC2)n1 ZINC000864504160 629848183 /nfs/dbraw/zinc/84/81/83/629848183.db2.gz AFPIAERQJWBKCY-UHFFFAOYSA-N -1 3 296.436 3.175 20 0 CGADHM COc1ccccc1CO[N-]C(=O)C[C@@H]1CCC(F)(F)C1 ZINC000799097347 630141780 /nfs/dbraw/zinc/14/17/80/630141780.db2.gz MPTVBIUEBLBQGP-NSHDSACASA-N -1 3 299.317 3.069 20 0 CGADHM CC(C)O[N-]C(=O)C1=C(c2ccccc2)CCCC1 ZINC000836798854 634804922 /nfs/dbraw/zinc/80/49/22/634804922.db2.gz PFWBLFJGXINYIH-UHFFFAOYSA-N -1 3 259.349 3.470 20 0 CGADHM CC[C@H](C)CCC(=O)[N-]OCc1ccccc1OC ZINC000803241759 630457087 /nfs/dbraw/zinc/45/70/87/630457087.db2.gz ZDMAZYHOBUZUHO-LBPRGKRZSA-N -1 3 265.353 3.069 20 0 CGADHM O=C(OCCCCF)c1cc(F)cc(Cl)c1[O-] ZINC000803375699 630469635 /nfs/dbraw/zinc/46/96/35/630469635.db2.gz JKQRDUZHMYZWKO-UHFFFAOYSA-N -1 3 264.655 3.091 20 0 CGADHM C[C@@H]1CSC[C@@H]1NC(=O)c1cc2sccc2c([O-])c1 ZINC000804505200 630533583 /nfs/dbraw/zinc/53/35/83/630533583.db2.gz XPLSIYSNXUAYJI-KCJUWKMLSA-N -1 3 293.413 3.088 20 0 CGADHM O=c1cc(C=Cc2nc(Cl)cs2)nc(C2CC2)[n-]1 ZINC000806564686 630567491 /nfs/dbraw/zinc/56/74/91/630567491.db2.gz TXZOCLQXOTVIBQ-ONEGZZNKSA-N -1 3 279.752 3.340 20 0 CGADHM C[C@H](Cc1cccc(Cl)c1)C(=O)[N-]O[C@H]1CCCCO1 ZINC000125884254 634823155 /nfs/dbraw/zinc/82/31/55/634823155.db2.gz YBOLHBBQEPDTBJ-RISCZKNCSA-N -1 3 297.782 3.093 20 0 CGADHM CCC(=O)[C@H](C)OC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000811395076 631062870 /nfs/dbraw/zinc/06/28/70/631062870.db2.gz UHRYGIQWFPVAIM-LURJTMIESA-N -1 3 285.752 3.407 20 0 CGADHM CC(C)CC1(C(=O)[N-]OC/C=C/Cl)CCCC1 ZINC000812402439 631245921 /nfs/dbraw/zinc/24/59/21/631245921.db2.gz SRWLSFZPHDOLJM-VMPITWQZSA-N -1 3 259.777 3.393 20 0 CGADHM CCN(CCC(F)(F)F)Cc1c(F)ccc([O-])c1F ZINC000816499680 631994393 /nfs/dbraw/zinc/99/43/93/631994393.db2.gz XJMVGPFEWFIUAM-UHFFFAOYSA-N -1 3 283.240 3.445 20 0 CGADHM CC(C)c1ccc(C(=O)NOc2ccccc2)c([O-])c1 ZINC000816684544 632042261 /nfs/dbraw/zinc/04/22/61/632042261.db2.gz FZWIBBUTXGBXNT-UHFFFAOYSA-N -1 3 271.316 3.239 20 0 CGADHM O=C(CCc1ccc(Cl)cc1Cl)[N-]OCC1CC1 ZINC000817354786 632130557 /nfs/dbraw/zinc/13/05/57/632130557.db2.gz QBKGDIPZFUUYHB-UHFFFAOYSA-N -1 3 288.174 3.384 20 0 CGADHM C[C@@H](CC(=O)[N-]OCCC1CC1)c1cccc(F)c1 ZINC000817383439 632134888 /nfs/dbraw/zinc/13/48/88/632134888.db2.gz NCQFSQBCHBMWNQ-NSHDSACASA-N -1 3 265.328 3.167 20 0 CGADHM Cc1cccc(CC(=O)[N-]OCCC2CC2)c1Cl ZINC000817403509 632138319 /nfs/dbraw/zinc/13/83/19/632138319.db2.gz INSGDOSMGTYDFY-UHFFFAOYSA-N -1 3 267.756 3.039 20 0 CGADHM O=C(Cc1ccc(C(F)(F)F)cc1)[N-]OCCC1CC1 ZINC000817420815 632147958 /nfs/dbraw/zinc/14/79/58/632147958.db2.gz BCRFQEIQXDNVLJ-UHFFFAOYSA-N -1 3 287.281 3.096 20 0 CGADHM O=C(CCc1cncc2ccccc21)[N-]OCCC1CC1 ZINC000817426311 632151771 /nfs/dbraw/zinc/15/17/71/632151771.db2.gz XSJNIKPHMCTQTM-UHFFFAOYSA-N -1 3 284.359 3.015 20 0 CGADHM O=C(C[C@@H]1CCc2ccccc2C1)[N-]OCCC1CC1 ZINC000817430198 632154232 /nfs/dbraw/zinc/15/42/32/632154232.db2.gz UNONEWVAAOVKED-CQSZACIVSA-N -1 3 273.376 3.030 20 0 CGADHM CCOC([O-])=NOCCCOc1ccc2ccccc2c1 ZINC000818106496 632288511 /nfs/dbraw/zinc/28/85/11/632288511.db2.gz PTPBUPCAAUDGLC-UHFFFAOYSA-N -1 3 289.331 3.286 20 0 CGADHM CCOC(=O)[N-]OCCCOc1ccc2ccccc2c1 ZINC000818106496 632288514 /nfs/dbraw/zinc/28/85/14/632288514.db2.gz PTPBUPCAAUDGLC-UHFFFAOYSA-N -1 3 289.331 3.286 20 0 CGADHM Cc1ccnc(CNC(=O)c2cc3sccc3c([O-])c2)c1 ZINC000818440260 632319013 /nfs/dbraw/zinc/31/90/13/632319013.db2.gz YKSVVJWSRIGLPG-UHFFFAOYSA-N -1 3 298.367 3.240 20 0 CGADHM O=C(C=Cc1cccc(F)c1)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000820218235 632592017 /nfs/dbraw/zinc/59/20/17/632592017.db2.gz IKTHARUPAOLIJJ-DAXSKMNVSA-N -1 3 297.289 3.060 20 0 CGADHM O=C(Cc1ccc2cccnc2c1)[N-]OC1CCCCC1 ZINC000822154958 632879317 /nfs/dbraw/zinc/87/93/17/632879317.db2.gz JBSAXEATAJASCJ-UHFFFAOYSA-N -1 3 284.359 3.158 20 0 CGADHM O=C(c1cc2sccc2c([O-])c1)N1CC[C@@H]1C(F)F ZINC000868606211 633342015 /nfs/dbraw/zinc/34/20/15/633342015.db2.gz PZKZSTMNSNAMNK-SECBINFHSA-N -1 3 283.299 3.087 20 0 CGADHM C/C(=C\CN1CCC(c2ccccc2F)CC1)C(=O)[O-] ZINC000825736128 633378575 /nfs/dbraw/zinc/37/85/75/633378575.db2.gz VKKSMPYUVRUDDI-WUXMJOGZSA-N -1 3 277.339 3.036 20 0 CGADHM CCCCC(=O)COC(=O)CCCc1ccc([O-])c(F)c1 ZINC000869483628 633450744 /nfs/dbraw/zinc/45/07/44/633450744.db2.gz XJTXUYYVDRWATP-UHFFFAOYSA-N -1 3 296.338 3.157 20 0 CGADHM C/C=C/COc1cccc(CC(=O)[N-]OC2CCCC2)c1 ZINC000827834512 633523711 /nfs/dbraw/zinc/52/37/11/633523711.db2.gz NQPFUSUUZMATED-NSCUHMNNSA-N -1 3 289.375 3.174 20 0 CGADHM O=C(CCc1ccsc1)[N-]OCCCC(F)(F)F ZINC000871210687 633728171 /nfs/dbraw/zinc/72/81/71/633728171.db2.gz VUCMAOBCDSNBHM-UHFFFAOYSA-N -1 3 281.299 3.071 20 0 CGADHM Cc1cncc([C@@H]2CCCN2C(=O)c2ccccc2[O-])c1 ZINC000830496452 633867578 /nfs/dbraw/zinc/86/75/78/633867578.db2.gz VJZWXHQKIRXDLI-HNNXBMFYSA-N -1 3 282.343 3.073 20 0 CGADHM CC(C)COc1ccccc1C=Cc1nccc(=O)[n-]1 ZINC000834429922 634167004 /nfs/dbraw/zinc/16/70/04/634167004.db2.gz ANWDOXIBLRCZBP-FPLPWBNLSA-N -1 3 270.332 3.387 20 0 CGADHM Cc1ccc(C(=O)OCc2cc(=O)[n-]c(C3CC3)n2)cc1C ZINC000837344241 634892789 /nfs/dbraw/zinc/89/27/89/634892789.db2.gz KKOGBLCSALVGJE-UHFFFAOYSA-N -1 3 298.342 3.033 20 0 CGADHM CC(C)O[N-]C(=O)Cc1ccccc1OC1CCCC1 ZINC000837678685 634964363 /nfs/dbraw/zinc/96/43/63/634964363.db2.gz HOALGXQXJZTJCO-UHFFFAOYSA-N -1 3 277.364 3.007 20 0 CGADHM CC(C)(C)CC(=O)[N-]OCc1cc(F)ccc1Cl ZINC000842061418 635270974 /nfs/dbraw/zinc/27/09/74/635270974.db2.gz KOCWPBVNIGNHAP-UHFFFAOYSA-N -1 3 273.735 3.463 20 0 CGADHM COc1cc(CO[N-]C(=O)CC(C)(C)C)ccc1SC ZINC000842063870 635272326 /nfs/dbraw/zinc/27/23/26/635272326.db2.gz SLBVQGWVFJMLBP-UHFFFAOYSA-N -1 3 297.420 3.401 20 0 CGADHM O=C(CCC1CCCCC1)[N-]OCCC[C@H]1CCOC1 ZINC000842647809 635425904 /nfs/dbraw/zinc/42/59/04/635425904.db2.gz GIKYUZNRRISLRY-HNNXBMFYSA-N -1 3 283.412 3.211 20 0 CGADHM Cc1ccc(C(=O)NCC[C@]2(C)C[C@@]2(F)Cl)c([O-])c1 ZINC000844817046 635969658 /nfs/dbraw/zinc/96/96/58/635969658.db2.gz NQAVZLPCMZXLHC-KGLIPLIRSA-N -1 3 285.746 3.135 20 0 CGADHM CCO[N-]C(=O)Cc1cccc(OCc2ccccc2C)c1 ZINC000106018964 636089354 /nfs/dbraw/zinc/08/93/54/636089354.db2.gz RAPOUXUXQKBVPS-UHFFFAOYSA-N -1 3 299.370 3.184 20 0 CGADHM Cc1ccc(OCCC(=O)[N-]OC2CCCC2)c(C)c1 ZINC000135142486 637091744 /nfs/dbraw/zinc/09/17/44/637091744.db2.gz XSAXKOKNUQPAAD-UHFFFAOYSA-N -1 3 277.364 3.063 20 0 CGADHM Cc1ccc(C(=O)N2C[C@H](C3CC3)C[C@@H]2C2CC2)c([O-])c1 ZINC000885223141 637187483 /nfs/dbraw/zinc/18/74/83/637187483.db2.gz XUSLXOCEYNAIDE-GDBMZVCRSA-N -1 3 285.387 3.351 20 0 CGADHM CC1(C)CCN(C(=O)c2ccc(N)cc2[O-])CC(C)(C)C1 ZINC000852855758 637719149 /nfs/dbraw/zinc/71/91/49/637719149.db2.gz HNEYMWLOLHERKY-UHFFFAOYSA-N -1 3 290.407 3.263 20 0 CGADHM Cc1cccc2c1CCC[C@H]2NC(=O)c1ccc(N)cc1[O-] ZINC000852871189 637719608 /nfs/dbraw/zinc/71/96/08/637719608.db2.gz WNFDUKGKOATGMZ-MRXNPFEDSA-N -1 3 296.370 3.090 20 0 CGADHM Cc1cc(=O)[n-]c(CSC[C@@H]2CC[C@H]3C[C@H]3C2)n1 ZINC000853770025 637914758 /nfs/dbraw/zinc/91/47/58/637914758.db2.gz NHJPCMAHYFVKMV-GRYCIOLGSA-N -1 3 264.394 3.160 20 0 CGADHM O=c1ccc(-c2ccc(OC3CCCC3)nc2)c(F)[n-]1 ZINC000854189251 638012609 /nfs/dbraw/zinc/01/26/09/638012609.db2.gz JDTHLLKZBUQHKN-UHFFFAOYSA-N -1 3 274.295 3.310 20 0 CGADHM O=C(N[C@@H]1C[C@@H]2CCC[C@H]12)c1cc([O-])c2ccccc2c1 ZINC000889607651 638075115 /nfs/dbraw/zinc/07/51/15/638075115.db2.gz ZDGOJJZDLPGASA-DUVNUKRYSA-N -1 3 281.355 3.464 20 0 CGADHM O=C(CCSc1ccc(F)cc1)[N-]OCC1CCC1 ZINC000856343332 638345663 /nfs/dbraw/zinc/34/56/63/638345663.db2.gz DXWVPJGKYVPARH-UHFFFAOYSA-N -1 3 283.368 3.156 20 0 CGADHM Cc1nc2ccccc2c(C)c1CC(=O)[N-]OCC1CCC1 ZINC000856346253 638347328 /nfs/dbraw/zinc/34/73/28/638347328.db2.gz RULKASQNRKDMIW-UHFFFAOYSA-N -1 3 298.386 3.242 20 0 CGADHM Cc1cnc(CN[C@@H](C)c2cc([O-])cc(F)c2)s1 ZINC000925150980 638462107 /nfs/dbraw/zinc/46/21/07/638462107.db2.gz GTMQVHAVBZKNOE-VIFPVBQESA-N -1 3 266.341 3.147 20 0 CGADHM O=C(NCC[C@@H]1CC1(F)F)c1cc([O-])c2ccccc2c1 ZINC000857348640 638496525 /nfs/dbraw/zinc/49/65/25/638496525.db2.gz PNCATPBMJPDBSL-GFCCVEGCSA-N -1 3 291.297 3.321 20 0 CGADHM O=C(NCC[C@H]1CC1(F)F)c1cc([O-])c2ccccc2c1 ZINC000857348641 638496914 /nfs/dbraw/zinc/49/69/14/638496914.db2.gz PNCATPBMJPDBSL-LBPRGKRZSA-N -1 3 291.297 3.321 20 0 CGADHM CCc1nn(C)cc1N[C@H](C)c1cc([O-])cc(F)c1 ZINC000925960329 638665273 /nfs/dbraw/zinc/66/52/73/638665273.db2.gz OLXYAAPSAOWLFY-SECBINFHSA-N -1 3 263.316 3.000 20 0 CGADHM O=c1nc(Cl)cc(N2CC3(CCC3)c3ccccc32)[n-]1 ZINC000858514073 638751571 /nfs/dbraw/zinc/75/15/71/638751571.db2.gz OAQSYBJHZNIROT-UHFFFAOYSA-N -1 3 287.750 3.409 20 0 CGADHM Cc1noc(C(C)C)c1NC(=O)Cc1ccc([O-])c(F)c1 ZINC000928782577 638891373 /nfs/dbraw/zinc/89/13/73/638891373.db2.gz PBEPDNNNDXLUEL-UHFFFAOYSA-N -1 3 292.310 3.132 20 0 CGADHM COc1ccsc1C(=O)[N-]c1c(C)noc1C(C)C ZINC000928786237 638891934 /nfs/dbraw/zinc/89/19/34/638891934.db2.gz BFASEEXTVCJQBM-UHFFFAOYSA-N -1 3 280.349 3.429 20 0 CGADHM Cc1nc(COC(=O)c2cc(Cl)c(Cl)[n-]2)cs1 ZINC000928965968 638896356 /nfs/dbraw/zinc/89/63/56/638896356.db2.gz BNXHLJRVJPNCPT-UHFFFAOYSA-N -1 3 291.159 3.443 20 0 CGADHM O=c1nc(Cl)cc(S[C@H]2CCc3ccccc3C2)[n-]1 ZINC000858622764 639003809 /nfs/dbraw/zinc/00/38/09/639003809.db2.gz YTYVQAKMNIKJGE-NSHDSACASA-N -1 3 292.791 3.485 20 0 CGADHM Cc1noc(C)c1[N-]C(=O)c1cnc(CC(C)C)s1 ZINC000930940630 639089127 /nfs/dbraw/zinc/08/91/27/639089127.db2.gz SHVMEFFDIVTDQF-UHFFFAOYSA-N -1 3 279.365 3.199 20 0 CGADHM CC(=O)c1cccc(NC(=O)[C@@H]2C[C@@H]3C[C@@H]3C[C@@H]2C)c1[O-] ZINC000935987530 639877861 /nfs/dbraw/zinc/87/78/61/639877861.db2.gz RCKSMUDNCQJXKN-QVSJOPQTSA-N -1 3 287.359 3.216 20 0 CGADHM C[C@@H](Cc1ccccc1Cl)NC(=O)c1ccccc1[O-] ZINC000048482658 640054934 /nfs/dbraw/zinc/05/49/34/640054934.db2.gz QTBZJGXZFHSSKY-NSHDSACASA-N -1 3 289.762 3.407 20 0 CGADHM Cc1cc(C(=O)/C=C/c2ccc3c(c2)OCCO3)ccc1[O-] ZINC000077166061 640226902 /nfs/dbraw/zinc/22/69/02/640226902.db2.gz IGVXSLCNOPZQKA-GORDUTHDSA-N -1 3 296.322 3.368 20 0 CGADHM O=C(OCCOc1ccc(Cl)cc1)c1ccc([O-])cc1 ZINC000196516722 640603580 /nfs/dbraw/zinc/60/35/80/640603580.db2.gz LELMGXSRZSQYHD-UHFFFAOYSA-N -1 3 292.718 3.281 20 0 CGADHM Cc1[n-]n(-c2cc(F)c(F)c(F)c2)c(=O)c1C(C)C ZINC000092150337 640732095 /nfs/dbraw/zinc/73/20/95/640732095.db2.gz NWGFGOMEVBZDDY-LLVKDONJSA-N -1 3 270.254 3.099 20 0 CGADHM CC1(C(=O)[O-])CCN(Cc2cc(Cl)cs2)CC1 ZINC000093097089 640755447 /nfs/dbraw/zinc/75/54/47/640755447.db2.gz UWRSQVHTVVHSQU-UHFFFAOYSA-N -1 3 273.785 3.088 20 0 CGADHM O=C1[N-]C(=O)C(=Cc2c(Cl)cccc2Cl)S1 ZINC000096836448 640840189 /nfs/dbraw/zinc/84/01/89/640840189.db2.gz FKSQUNCVENBSMC-XBXARRHUSA-N -1 3 274.128 3.317 20 0 CGADHM CO[C@@H]1CCCC[C@H]1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000280166866 641035027 /nfs/dbraw/zinc/03/50/27/641035027.db2.gz CBWCNPXRQKZZIL-NVXWUHKLSA-N -1 3 299.370 3.233 20 0 CGADHM Cc1cccc([O-])c1C(=O)Nc1ccc(C(C)C)nc1 ZINC001156365309 805677234 /nfs/dbraw/zinc/67/72/34/805677234.db2.gz SBPAIPZKXQRMQR-UHFFFAOYSA-N -1 3 270.332 3.471 20 0 CGADHM O=C(Nc1ccc(F)c([O-])c1)c1cccc2cnsc21 ZINC001156669072 805723843 /nfs/dbraw/zinc/72/38/43/805723843.db2.gz YNCFBFIBYQLPGI-UHFFFAOYSA-N -1 3 288.303 3.393 20 0 CGADHM Cc1ccc(Cl)c2nc(-c3ccncc3[O-])[nH]c21 ZINC001250860124 805789919 /nfs/dbraw/zinc/78/99/19/805789919.db2.gz PSTVDCSUIYSVPC-UHFFFAOYSA-N -1 3 259.696 3.292 20 0 CGADHM CCCn1cnc(-c2nc3c([n-]2)c(F)c(F)c(F)c3F)c1 ZINC001251203495 805862535 /nfs/dbraw/zinc/86/25/35/805862535.db2.gz JKDLEBNDJJIILC-UHFFFAOYSA-N -1 3 298.243 3.393 20 0 CGADHM [O-]c1cccc(-c2nc3c(cc(F)cc3F)[nH]2)c1F ZINC001251255800 805874125 /nfs/dbraw/zinc/87/41/25/805874125.db2.gz ZXCBGYKYNLHXOV-UHFFFAOYSA-N -1 3 264.206 3.353 20 0 CGADHM Cc1c[nH]c(=O)c(-c2nc3c(cc(F)c(F)c3F)[n-]2)c1 ZINC001251288351 805876565 /nfs/dbraw/zinc/87/65/65/805876565.db2.gz VMZMSMRSRWXOHJ-UHFFFAOYSA-N -1 3 279.221 3.056 20 0 CGADHM CCc1c(Cl)cc(NC[C@H](C)O)c([O-])c1Cl ZINC001251966915 805958181 /nfs/dbraw/zinc/95/81/81/805958181.db2.gz TXFYKTHIDCSDAH-LURJTMIESA-N -1 3 264.152 3.054 20 0 CGADHM [O-]c1cccnc1CNc1ncc(F)c2ccccc21 ZINC001158774247 806001712 /nfs/dbraw/zinc/00/17/12/806001712.db2.gz IASSDNNZLYTGAZ-UHFFFAOYSA-N -1 3 269.279 3.087 20 0 CGADHM Cc1ccc(-c2nnc(Cc3ccc([O-])c(F)c3)o2)cc1 ZINC001252600633 806081409 /nfs/dbraw/zinc/08/14/09/806081409.db2.gz HIDVGHTUKJPVJY-UHFFFAOYSA-N -1 3 284.290 3.481 20 0 CGADHM Cc1ccc([O-])c(-c2nnc(-c3ccc(Cl)cc3)o2)n1 ZINC001252768591 806109577 /nfs/dbraw/zinc/10/95/77/806109577.db2.gz XHGZZQXYQSBQIW-UHFFFAOYSA-N -1 3 287.706 3.466 20 0 CGADHM CC1=C(C)C[C@@](C)(C(=O)[N-]OCCC2CC2)CC1 ZINC001159484863 806113002 /nfs/dbraw/zinc/11/30/02/806113002.db2.gz CZUJKXSJSWGKJD-HNNXBMFYSA-N -1 3 251.370 3.361 20 0 CGADHM [O-]c1ccc(Cc2nnc(-c3ccccc3)o2)cc1F ZINC001253039607 806156134 /nfs/dbraw/zinc/15/61/34/806156134.db2.gz BILQVEPCLVZMGQ-UHFFFAOYSA-N -1 3 270.263 3.172 20 0 CGADHM C[C@@](O)(CNc1cccc([O-])c1Cl)c1ccccc1 ZINC001253112824 806173523 /nfs/dbraw/zinc/17/35/23/806173523.db2.gz YRFNBRYBYLEYDG-OAHLLOKOSA-N -1 3 277.751 3.365 20 0 CGADHM CCCCC[C@@H](O)CNc1cc(F)c([O-])cc1F ZINC001253543679 806243702 /nfs/dbraw/zinc/24/37/02/806243702.db2.gz DXRNQFIJCUITSE-SECBINFHSA-N -1 3 259.296 3.024 20 0 CGADHM FC(F)(F)c1ncc(-c2nnc(Cc3ccccc3)o2)[n-]1 ZINC001253568132 806261034 /nfs/dbraw/zinc/26/10/34/806261034.db2.gz DGCODOPZOZQWBP-UHFFFAOYSA-N -1 3 294.236 3.069 20 0 CGADHM FC(F)(F)c1nc(-c2nnc(Cc3ccccc3)o2)c[n-]1 ZINC001253568132 806261044 /nfs/dbraw/zinc/26/10/44/806261044.db2.gz DGCODOPZOZQWBP-UHFFFAOYSA-N -1 3 294.236 3.069 20 0 CGADHM CC(C)C1CCC(CNC(=O)c2c([O-])cccc2O)CC1 ZINC001160960354 806328936 /nfs/dbraw/zinc/32/89/36/806328936.db2.gz BRUVBCVKFDTUHI-UHFFFAOYSA-N -1 3 291.391 3.290 20 0 CGADHM COC(=O)c1ccc(NC(=O)c2cc(C)ccc2[O-])c(C)c1 ZINC001254033593 806331731 /nfs/dbraw/zinc/33/17/31/806331731.db2.gz QWHXWMGVKRATJH-UHFFFAOYSA-N -1 3 299.326 3.048 20 0 CGADHM COc1ccc([O-])c(-c2nnc(-c3cccc(F)c3)o2)c1 ZINC001254141218 806350252 /nfs/dbraw/zinc/35/02/52/806350252.db2.gz WTYKKWJLOYFOGE-UHFFFAOYSA-N -1 3 286.262 3.257 20 0 CGADHM C[C@H](CCc1ccccc1)Nc1ccc(=S)[n-]n1 ZINC001161612436 806398569 /nfs/dbraw/zinc/39/85/69/806398569.db2.gz IIQYBJZWIGCWPF-LLVKDONJSA-N -1 3 259.378 3.199 20 0 CGADHM [O-]c1cc2ccccc2cc1-c1nnc(C2CCOCC2)o1 ZINC001255655704 806694430 /nfs/dbraw/zinc/69/44/30/806694430.db2.gz KWJWHIAUSZDFTP-UHFFFAOYSA-N -1 3 296.326 3.489 20 0 CGADHM CC(C)Oc1cccc(CC(=O)[N-]OCc2ccccc2)c1 ZINC000070783236 798915997 /nfs/dbraw/zinc/91/59/97/798915997.db2.gz WUZFSDGMEUVJHK-UHFFFAOYSA-N -1 3 299.370 3.264 20 0 CGADHM O=C([O-])c1cc(Cl)ccc1CN1CCCCC1 ZINC000258089953 799174430 /nfs/dbraw/zinc/17/44/30/799174430.db2.gz JOJDBZNYNPDSRH-UHFFFAOYSA-N -1 3 253.729 3.024 20 0 CGADHM CCc1nc(CNC/C=C\c2ccccc2)ccc1C(=O)[O-] ZINC001255787230 806750606 /nfs/dbraw/zinc/75/06/06/806750606.db2.gz XIBJJBYQLKRKBY-TWGQIWQCSA-N -1 3 296.370 3.145 20 0 CGADHM C/C=C(/CC)C(=O)Nc1cc(Br)ccc1[O-] ZINC000588575602 799715575 /nfs/dbraw/zinc/71/55/75/799715575.db2.gz YTFSWZIMBXCAKV-BAQGIRSFSA-N -1 3 284.153 3.450 20 0 CGADHM Cc1cccc([O-])c1C(=O)NC[C@@H]1CCC[C@H](C)C1 ZINC000706627834 799964397 /nfs/dbraw/zinc/96/43/97/799964397.db2.gz AGBZDINDCXSNGL-WCQYABFASA-N -1 3 261.365 3.257 20 0 CGADHM C[C@@]1(C(=O)[O-])CCN(Cc2ccsc2C(F)(F)F)C1 ZINC000707740557 799979204 /nfs/dbraw/zinc/97/92/04/799979204.db2.gz LVUJOIAXZMWEDH-LLVKDONJSA-N -1 3 293.310 3.064 20 0 CGADHM C[C@@H](c1ccc(C(=O)[O-])o1)N1CC[C@](C)(C(F)(F)F)C1 ZINC000708923959 799999184 /nfs/dbraw/zinc/99/91/84/799999184.db2.gz FUAMXUTVJGNPOW-UFBFGSQYSA-N -1 3 291.269 3.313 20 0 CGADHM C[C@]1(C(F)(F)F)CCN(Cc2cc(C(=O)[O-])cs2)C1 ZINC000708945110 800001657 /nfs/dbraw/zinc/00/16/57/800001657.db2.gz KUBGOBKKOSBKTE-NSHDSACASA-N -1 3 293.310 3.221 20 0 CGADHM C[C@H]1C[C@@H]1c1nnc(-c2c([O-])cnc3ccccc32)o1 ZINC001256634986 806934344 /nfs/dbraw/zinc/93/43/44/806934344.db2.gz PUHPEBSQVDCFJT-WPRPVWTQSA-N -1 3 267.288 3.114 20 0 CGADHM Cc1csc2ccc(NCCCc3c[n-][nH]c3=O)cc12 ZINC001164375918 806943420 /nfs/dbraw/zinc/94/34/20/806943420.db2.gz XORIRLFZUIZXJK-LLVKDONJSA-N -1 3 287.388 3.134 20 0 CGADHM CC(C)=CCOc1cccc(CC(=O)[N-]OC(C)(C)C)c1 ZINC001118045579 802521451 /nfs/dbraw/zinc/52/14/51/802521451.db2.gz TUZJLJAOLDAKFK-UHFFFAOYSA-N -1 3 291.391 3.420 20 0 CGADHM COc1cc(Nc2ncc(Cl)cc2[O-])cc(F)c1F ZINC001174580386 809090786 /nfs/dbraw/zinc/09/07/86/809090786.db2.gz KXLCTUSSQYREJG-UHFFFAOYSA-N -1 3 286.665 3.471 20 0 CGADHM CC(C)(C)c1cnc(CN[C@H]2CC[C@H](C(=O)[O-])CC2)s1 ZINC001118918984 802617840 /nfs/dbraw/zinc/61/78/40/802617840.db2.gz OTXDDPQWCRGAKO-XYPYZODXSA-N -1 3 296.436 3.174 20 0 CGADHM CSc1ccc(CCC(=O)[N-]OC(C)(C)C)cc1 ZINC001119983872 802719386 /nfs/dbraw/zinc/71/93/86/802719386.db2.gz RWTNZFZOWHUXLW-UHFFFAOYSA-N -1 3 267.394 3.187 20 0 CGADHM Fc1cc(Br)ccc1-c1ccc(=S)[n-]n1 ZINC001243802953 803019394 /nfs/dbraw/zinc/01/93/94/803019394.db2.gz XEDHFTPEPHQUHF-UHFFFAOYSA-N -1 3 285.141 3.334 20 0 CGADHM COc1cnc(F)c(-c2c([O-])cccc2Cl)c1 ZINC001244032942 803152162 /nfs/dbraw/zinc/15/21/62/803152162.db2.gz FJLULHSPXMDDEQ-UHFFFAOYSA-N -1 3 253.660 3.255 20 0 CGADHM O=C1Nc2ncc(-c3c([O-])cccc3Cl)cc2C12CC2 ZINC001244048302 803160409 /nfs/dbraw/zinc/16/04/09/803160409.db2.gz ZALUCZOZLBSMMF-UHFFFAOYSA-N -1 3 286.718 3.091 20 0 CGADHM O=c1c(-c2c([O-])cccc2Cl)ccnn1-c1ccccc1 ZINC001244048644 803160610 /nfs/dbraw/zinc/16/06/10/803160610.db2.gz SYFVTQYEICJDSI-UHFFFAOYSA-N -1 3 298.729 3.259 20 0 CGADHM CCOc1ccc(-c2ccc(=S)[n-]n2)c(C)c1C ZINC001244057704 803164595 /nfs/dbraw/zinc/16/45/95/803164595.db2.gz CGOYWMJYDGODEP-UHFFFAOYSA-N -1 3 260.362 3.448 20 0 CGADHM Cc1nocc1[N-]C(=O)c1cc2c(o1)c(F)ccc2C ZINC001130357015 803280879 /nfs/dbraw/zinc/28/08/79/803280879.db2.gz NHPRVCLXLPPHEA-UHFFFAOYSA-N -1 3 274.251 3.429 20 0 CGADHM CC(C)c1cc(-c2ccccc2-c2nnn[n-]2)ccc1N ZINC001244319925 803300514 /nfs/dbraw/zinc/30/05/14/803300514.db2.gz AJFXUSVJLYAJLY-UHFFFAOYSA-N -1 3 279.347 3.239 20 0 CGADHM CC(C)c1cc(-c2ccccc2-c2nn[n-]n2)ccc1N ZINC001244319925 803300517 /nfs/dbraw/zinc/30/05/17/803300517.db2.gz AJFXUSVJLYAJLY-UHFFFAOYSA-N -1 3 279.347 3.239 20 0 CGADHM C[S@](=O)c1ccccc1-c1ccc(Cl)cc1[O-] ZINC001244469658 803385530 /nfs/dbraw/zinc/38/55/30/803385530.db2.gz OYCHBWAPZBFOLK-KRWDZBQOSA-N -1 3 266.749 3.450 20 0 CGADHM O=c1ccc(-c2ccc(Cl)cc2[O-])cn1C(F)F ZINC001244469513 803386135 /nfs/dbraw/zinc/38/61/35/803386135.db2.gz KQEQZTWPRYVWMK-UHFFFAOYSA-N -1 3 271.650 3.269 20 0 CGADHM O=C1COc2cc(-c3ccc(Cl)cc3[O-])ccc2N1 ZINC001244472515 803388794 /nfs/dbraw/zinc/38/87/94/803388794.db2.gz PALZSVUVAUQNAL-UHFFFAOYSA-N -1 3 275.691 3.044 20 0 CGADHM Cc1cc(-c2cnc(C(F)(F)F)cn2)cc([O-])c1F ZINC001244496490 803403545 /nfs/dbraw/zinc/40/35/45/803403545.db2.gz RNCBKOIDWHKQTB-UHFFFAOYSA-N -1 3 272.201 3.316 20 0 CGADHM Cc1cnc2c(ccnc2-c2cc(C)c(F)c([O-])c2)n1 ZINC001244505865 803409984 /nfs/dbraw/zinc/40/99/84/803409984.db2.gz DGRKFUIVEJRCHK-UHFFFAOYSA-N -1 3 269.279 3.153 20 0 CGADHM Cc1cc2cnc(-c3cc(C)c(F)c([O-])c3)nc2[nH]1 ZINC001244505348 803410247 /nfs/dbraw/zinc/41/02/47/803410247.db2.gz DCKMLSAAAGJICJ-UHFFFAOYSA-N -1 3 257.268 3.038 20 0 CGADHM Cc1cc(-c2ccc(-c3ccccn3)nn2)cc([O-])c1F ZINC001244509065 803411191 /nfs/dbraw/zinc/41/11/91/803411191.db2.gz ZJMBMVNFXSGRQX-UHFFFAOYSA-N -1 3 281.290 3.359 20 0 CGADHM Nc1ccncc1-c1c(Cl)cc(C(=O)[O-])cc1Cl ZINC001244513819 803412767 /nfs/dbraw/zinc/41/27/67/803412767.db2.gz LXWAAUVHHYFOIP-UHFFFAOYSA-N -1 3 283.114 3.166 20 0 CGADHM Cc1cc(-c2cccc3c2OCCO3)cc([O-])c1F ZINC001244516211 803413628 /nfs/dbraw/zinc/41/36/28/803413628.db2.gz PRNFXYXYDHLCEF-UHFFFAOYSA-N -1 3 260.264 3.278 20 0 CGADHM Cc1cc(-c2ccc3c(c2)C2(CC2)C(=O)N3)cc([O-])c1F ZINC001244520227 803415314 /nfs/dbraw/zinc/41/53/14/803415314.db2.gz LTLMYTDILVEFTM-UHFFFAOYSA-N -1 3 283.302 3.490 20 0 CGADHM COC(=O)Cc1ccc(-c2cc(C)c(F)c([O-])c2)cc1 ZINC001244518273 803415493 /nfs/dbraw/zinc/41/54/93/803415493.db2.gz SIFLUICKMSZPBT-UHFFFAOYSA-N -1 3 274.291 3.222 20 0 CGADHM Cc1cc(-c2cccc(CS(C)(=O)=O)c2)cc([O-])c1F ZINC001244524409 803417836 /nfs/dbraw/zinc/41/78/36/803417836.db2.gz DOUNZUZKIKKKMF-UHFFFAOYSA-N -1 3 294.347 3.051 20 0 CGADHM Cc1cc(-c2ccccc2CS(C)(=O)=O)cc([O-])c1F ZINC001244525305 803418807 /nfs/dbraw/zinc/41/88/07/803418807.db2.gz OTIGUFVKOHBSPO-UHFFFAOYSA-N -1 3 294.347 3.051 20 0 CGADHM Cc1cc(-c2c(C)cc(C(N)=O)cc2C)cc([O-])c1F ZINC001244525205 803419036 /nfs/dbraw/zinc/41/90/36/803419036.db2.gz MFLATZILZYZWHI-UHFFFAOYSA-N -1 3 273.307 3.222 20 0 CGADHM [O-]c1ccc(Cl)c(-c2c[nH]cc3ncnc2-3)c1F ZINC001244541314 803429560 /nfs/dbraw/zinc/42/95/60/803429560.db2.gz NVXAQZASVIYNMP-UHFFFAOYSA-N -1 3 263.659 3.123 20 0 CGADHM Nc1ccc(F)c(Nc2ncc(Br)cc2[O-])c1 ZINC001211818272 814944329 /nfs/dbraw/zinc/94/43/29/814944329.db2.gz HMCPVHFBFJPKQM-UHFFFAOYSA-N -1 3 298.115 3.015 20 0 CGADHM COc1cc(CO)cc(-c2ccc3c(c2)[N-]C(=S)C3)c1 ZINC001244842919 803547813 /nfs/dbraw/zinc/54/78/13/803547813.db2.gz VKNWDAJQBNQCHZ-UHFFFAOYSA-N -1 3 285.368 3.150 20 0 CGADHM Nc1ccc(F)c(Nc2cc([O-])c(F)cc2F)c1 ZINC001211833095 814945914 /nfs/dbraw/zinc/94/59/14/814945914.db2.gz BIYALVXKYSGCCL-UHFFFAOYSA-N -1 3 254.211 3.135 20 0 CGADHM Fc1cccc2oc(-c3ccccc3-c3nnn[n-]3)cc21 ZINC001244926144 803579528 /nfs/dbraw/zinc/57/95/28/803579528.db2.gz CCFVLWGXHFMNJQ-UHFFFAOYSA-N -1 3 280.262 3.419 20 0 CGADHM Fc1cccc2oc(-c3ccccc3-c3nn[n-]n3)cc21 ZINC001244926144 803579534 /nfs/dbraw/zinc/57/95/34/803579534.db2.gz CCFVLWGXHFMNJQ-UHFFFAOYSA-N -1 3 280.262 3.419 20 0 CGADHM S=c1ccc(-c2c(Cl)ccnc2Cl)n[n-]1 ZINC001244936355 803583399 /nfs/dbraw/zinc/58/33/99/803583399.db2.gz GPTOYRMJMUGMMZ-UHFFFAOYSA-N -1 3 258.133 3.134 20 0 CGADHM Cc1noc(C2CC2)c1C(=O)[N-]c1cc(C(C)(C)F)on1 ZINC001135373474 803591532 /nfs/dbraw/zinc/59/15/32/803591532.db2.gz MMJIKEFCYSOJIR-UHFFFAOYSA-N -1 3 293.298 3.305 20 0 CGADHM COc1cc(C)c(C)cc1-c1ccc(C)c(-c2nnn[n-]2)c1 ZINC001245023140 803614894 /nfs/dbraw/zinc/61/48/94/803614894.db2.gz YPQUSVCEGXLFJX-UHFFFAOYSA-N -1 3 294.358 3.468 20 0 CGADHM COc1cc(C)c(C)cc1-c1ccc(C)c(-c2nn[n-]n2)c1 ZINC001245023140 803614896 /nfs/dbraw/zinc/61/48/96/803614896.db2.gz YPQUSVCEGXLFJX-UHFFFAOYSA-N -1 3 294.358 3.468 20 0 CGADHM COC(=O)c1ccccc1-c1cc(Cl)ccc1[O-] ZINC001245050433 803621908 /nfs/dbraw/zinc/62/19/08/803621908.db2.gz GAXMXLPCNYRPIM-UHFFFAOYSA-N -1 3 262.692 3.499 20 0 CGADHM COC(=O)c1cc(F)ncc1-c1cc(Cl)ccc1[O-] ZINC001245054170 803623919 /nfs/dbraw/zinc/62/39/19/803623919.db2.gz BPZQSZWMLHTIFK-UHFFFAOYSA-N -1 3 281.670 3.033 20 0 CGADHM Cc1cc(F)cc(Cl)c1-c1cncc(-c2nnn[n-]2)c1 ZINC001245060658 803626190 /nfs/dbraw/zinc/62/61/90/803626190.db2.gz ZVOIKZAOPLHCSH-UHFFFAOYSA-N -1 3 289.701 3.030 20 0 CGADHM Cc1cc(F)cc(Cl)c1-c1cncc(-c2nn[n-]n2)c1 ZINC001245060658 803626192 /nfs/dbraw/zinc/62/61/92/803626192.db2.gz ZVOIKZAOPLHCSH-UHFFFAOYSA-N -1 3 289.701 3.030 20 0 CGADHM Cc1cccc([O-])c1C(=O)Nc1ccc(N(C)C)c(C)c1 ZINC001136095667 803631155 /nfs/dbraw/zinc/63/11/55/803631155.db2.gz HCRIWFUYQYTLAS-UHFFFAOYSA-N -1 3 284.359 3.327 20 0 CGADHM Cc1nc2c(c(-c3ccc([O-])cc3Cl)n1)CCC2 ZINC001245078427 803634192 /nfs/dbraw/zinc/63/41/92/803634192.db2.gz JFMAYSFHTBZJAX-UHFFFAOYSA-N -1 3 260.724 3.300 20 0 CGADHM CCOC(=O)Cc1cccc(-c2ccc([O-])cc2Cl)n1 ZINC001245081216 803636640 /nfs/dbraw/zinc/63/66/40/803636640.db2.gz ATORCHZZLMYJGI-UHFFFAOYSA-N -1 3 291.734 3.213 20 0 CGADHM O=c1c(-c2ccc([O-])cc2Cl)cccn1-c1ccccn1 ZINC001245084334 803638161 /nfs/dbraw/zinc/63/81/61/803638161.db2.gz ZDOQNYOLZGZTGI-UHFFFAOYSA-N -1 3 298.729 3.259 20 0 CGADHM Cc1noc2ccc(-c3ccc(C)c(-c4nnn[n-]4)c3)cc12 ZINC001245282293 803692130 /nfs/dbraw/zinc/69/21/30/803692130.db2.gz NPUZDXOGLFSFFC-UHFFFAOYSA-N -1 3 291.314 3.292 20 0 CGADHM Cc1noc2ccc(-c3ccc(C)c(-c4nn[n-]n4)c3)cc12 ZINC001245282293 803692132 /nfs/dbraw/zinc/69/21/32/803692132.db2.gz NPUZDXOGLFSFFC-UHFFFAOYSA-N -1 3 291.314 3.292 20 0 CGADHM Cc1cccc2[nH]c(-c3cccc(-c4nnn[n-]4)c3)cc21 ZINC001245343200 803704844 /nfs/dbraw/zinc/70/48/44/803704844.db2.gz OCBRXOCDFQXBTQ-UHFFFAOYSA-N -1 3 275.315 3.323 20 0 CGADHM Cc1cccc2[nH]c(-c3cccc(-c4nn[n-]n4)c3)cc21 ZINC001245343200 803704848 /nfs/dbraw/zinc/70/48/48/803704848.db2.gz OCBRXOCDFQXBTQ-UHFFFAOYSA-N -1 3 275.315 3.323 20 0 CGADHM Nc1ccc(Cl)nc1Nc1ccc([O-])c(F)c1F ZINC001211999971 814965026 /nfs/dbraw/zinc/96/50/26/814965026.db2.gz FOCJOIQUTWGTEG-UHFFFAOYSA-N -1 3 271.654 3.045 20 0 CGADHM [O-]c1ccc(Nc2cccc3c2COC3)c(F)c1F ZINC001212014102 814968085 /nfs/dbraw/zinc/96/80/85/814968085.db2.gz ZMSLABXCLKQYSL-UHFFFAOYSA-N -1 3 263.243 3.444 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])c1cccnc1C(F)F ZINC001138016906 803827296 /nfs/dbraw/zinc/82/72/96/803827296.db2.gz XSCKXQYOWLZEGS-UHFFFAOYSA-N -1 3 282.221 3.116 20 0 CGADHM CC1(C)NC(=O)Cc2ccc(-c3c([O-])cccc3F)cc21 ZINC001245655097 803889059 /nfs/dbraw/zinc/88/90/59/803889059.db2.gz ODDFAAWLHRSFPI-UHFFFAOYSA-N -1 3 285.318 3.106 20 0 CGADHM CC(=O)Nc1cc(-c2c([O-])cccc2F)ccc1C ZINC001245655133 803889187 /nfs/dbraw/zinc/88/91/87/803889187.db2.gz JVJHHVMAFQWKDO-UHFFFAOYSA-N -1 3 259.280 3.465 20 0 CGADHM [O-]c1cccc(F)c1-c1cccc2c1CCC21OCCO1 ZINC001245657925 803891927 /nfs/dbraw/zinc/89/19/27/803891927.db2.gz URSJECDOHALHBO-UHFFFAOYSA-N -1 3 286.302 3.344 20 0 CGADHM COC(=O)c1c[nH]c2cc(-c3c([O-])cccc3F)ccc21 ZINC001245657195 803891983 /nfs/dbraw/zinc/89/19/83/803891983.db2.gz WVJNDWWQRGYRLE-UHFFFAOYSA-N -1 3 285.274 3.466 20 0 CGADHM [O-]c1cccnc1CN1CCC[C@@H]1c1cc(F)cc(F)c1 ZINC001138396034 803913269 /nfs/dbraw/zinc/91/32/69/803913269.db2.gz GMSNCZNFPCFOCO-OAHLLOKOSA-N -1 3 290.313 3.403 20 0 CGADHM CSc1ccc(F)c(-c2ccccc2-c2nnn[n-]2)c1 ZINC001245748709 803940079 /nfs/dbraw/zinc/94/00/79/803940079.db2.gz VMPFEUYCLHQZGY-UHFFFAOYSA-N -1 3 286.335 3.395 20 0 CGADHM CSc1ccc(F)c(-c2ccccc2-c2nn[n-]n2)c1 ZINC001245748709 803940087 /nfs/dbraw/zinc/94/00/87/803940087.db2.gz VMPFEUYCLHQZGY-UHFFFAOYSA-N -1 3 286.335 3.395 20 0 CGADHM Cc1ncc(Nc2ccc(F)cc2OC(C)C)c(=O)[n-]1 ZINC001212292801 815003106 /nfs/dbraw/zinc/00/31/06/815003106.db2.gz ZDWSYLYOXVHMFI-UHFFFAOYSA-N -1 3 277.299 3.161 20 0 CGADHM [O-]c1cnccc1CN1CCC[C@@H]1c1cc(F)cc(F)c1 ZINC001140279738 804407294 /nfs/dbraw/zinc/40/72/94/804407294.db2.gz STOVHYLMACYFRP-OAHLLOKOSA-N -1 3 290.313 3.403 20 0 CGADHM Nc1ncccc1Nc1cc(Br)cc(F)c1[O-] ZINC001212405969 815020810 /nfs/dbraw/zinc/02/08/10/815020810.db2.gz PPEMBFAKTRJKFO-UHFFFAOYSA-N -1 3 298.115 3.015 20 0 CGADHM C[C@@H]1CCC[C@@H](C)N1Cc1ccc([O-])c(F)c1F ZINC001140889675 804541812 /nfs/dbraw/zinc/54/18/12/804541812.db2.gz JLEFLVIUJJSXNX-NXEZZACHSA-N -1 3 255.308 3.433 20 0 CGADHM O=C(Nc1c([O-])cccc1Cl)c1cncc2[nH]ccc21 ZINC001141469656 804644018 /nfs/dbraw/zinc/64/40/18/804644018.db2.gz YMGRRRZWBGEEKD-UHFFFAOYSA-N -1 3 287.706 3.174 20 0 CGADHM [O-]c1cc(Cl)c(CN2C[C@@H]3C[C@@H]3[C@H](F)C2)c(Cl)c1 ZINC001142105568 804695105 /nfs/dbraw/zinc/69/51/05/804695105.db2.gz FWUGONYFYBNWRD-DXVIDONBSA-N -1 3 290.165 3.489 20 0 CGADHM CO[C@H]1CCN(Cc2ccc(Cl)cc2C(=O)[O-])[C@@H](C)C1 ZINC001142673118 804753392 /nfs/dbraw/zinc/75/33/92/804753392.db2.gz ZUOSJXHNBVWQMQ-GWCFXTLKSA-N -1 3 297.782 3.038 20 0 CGADHM CO[C@@H]1CCN(Cc2ccc(Cl)cc2C(=O)[O-])[C@H](C)C1 ZINC001142673121 804754076 /nfs/dbraw/zinc/75/40/76/804754076.db2.gz ZUOSJXHNBVWQMQ-ZWNOBZJWSA-N -1 3 297.782 3.038 20 0 CGADHM CC(C)c1ccc(CCC(=O)Nc2cncc([O-])c2)cc1 ZINC001143253959 804829769 /nfs/dbraw/zinc/82/97/69/804829769.db2.gz HSZFBQLUQAGIEM-UHFFFAOYSA-N -1 3 284.359 3.482 20 0 CGADHM C[C@@H]1CCCCCN1Cc1c(F)cc([O-])cc1F ZINC001144553381 805003966 /nfs/dbraw/zinc/00/39/66/805003966.db2.gz BFSVBQKZUVUJNP-SNVBAGLBSA-N -1 3 255.308 3.435 20 0 CGADHM COC(C)(C)[C@@H]1CCCN1Cc1c(F)cc([O-])cc1F ZINC001144554770 805005039 /nfs/dbraw/zinc/00/50/39/805005039.db2.gz HBNCALUBBKVWLH-AWEZNQCLSA-N -1 3 285.334 3.060 20 0 CGADHM C[C@H]1CCN(Cc2c(F)cc([O-])cc2F)[C@@H](C)C1 ZINC001144555178 805005096 /nfs/dbraw/zinc/00/50/96/805005096.db2.gz YNSZGOZPEDUONM-UWVGGRQHSA-N -1 3 255.308 3.291 20 0 CGADHM C[C@H]1CCCCCN1Cc1cc(F)c([O-])cc1F ZINC001144667539 805030593 /nfs/dbraw/zinc/03/05/93/805030593.db2.gz VVXKGTMDWMVAIM-JTQLQIEISA-N -1 3 255.308 3.435 20 0 CGADHM [S-]c1ccc(NC2=CC[C@H](N3CCOCC3)CC2)cc1 ZINC001249557872 805175347 /nfs/dbraw/zinc/17/53/47/805175347.db2.gz CNPZLBUZANROEU-HNNXBMFYSA-N -1 3 290.432 3.156 20 0 CGADHM Cc1ccc(C(=O)Nc2ccc(C(F)F)cn2)c([O-])c1 ZINC001148498620 805189644 /nfs/dbraw/zinc/18/96/44/805189644.db2.gz IMGRNIKXQIYVLG-UHFFFAOYSA-N -1 3 278.258 3.286 20 0 CGADHM Cc1ccc(C(=O)Nc2ccc3oncc3c2)c([O-])c1 ZINC001148500552 805191581 /nfs/dbraw/zinc/19/15/81/805191581.db2.gz PLIDJRQMEZCEFN-UHFFFAOYSA-N -1 3 268.272 3.094 20 0 CGADHM CCc1ccc(NC(=O)c2ccc(C)cc2[O-])c(O)c1 ZINC001148500480 805192015 /nfs/dbraw/zinc/19/20/15/805192015.db2.gz NZDFMEMBGBKWHX-UHFFFAOYSA-N -1 3 271.316 3.221 20 0 CGADHM CC(=O)c1cc(C(=O)N(C)CC2CCCCC2)ccc1[O-] ZINC001148663147 805203907 /nfs/dbraw/zinc/20/39/07/805203907.db2.gz VTVYPVIRLFHLDR-UHFFFAOYSA-N -1 3 289.375 3.247 20 0 CGADHM CC(=O)c1cc(C(=O)NC[C@@H]2CCCC[C@@H]2C)ccc1[O-] ZINC001148664642 805204770 /nfs/dbraw/zinc/20/47/70/805204770.db2.gz QZEYSLDHCWIHSC-FZMZJTMJSA-N -1 3 289.375 3.151 20 0 CGADHM O=C(Nc1cc([O-])cc(Cl)c1)c1cccc2c1OCC2 ZINC001149182272 805223179 /nfs/dbraw/zinc/22/31/79/805223179.db2.gz ZRSAGDPKDXMIKH-UHFFFAOYSA-N -1 3 289.718 3.233 20 0 CGADHM COc1cc(Nc2ccc([O-])c(F)c2F)ccc1N ZINC001249720635 805224558 /nfs/dbraw/zinc/22/45/58/805224558.db2.gz VPUWYLBSWMTFKM-UHFFFAOYSA-N -1 3 266.247 3.005 20 0 CGADHM COC(=O)c1cc(Nc2ncc(F)cc2[O-])c(C)cc1C ZINC001249810750 805256392 /nfs/dbraw/zinc/25/63/92/805256392.db2.gz IFSKEWHMCDBTJC-UHFFFAOYSA-N -1 3 290.294 3.073 20 0 CGADHM O=C(Nc1ccc(F)c([O-])c1)c1cc2cccc(F)c2[nH]1 ZINC001150762847 805268454 /nfs/dbraw/zinc/26/84/54/805268454.db2.gz GOMUCCXMPTZYCN-UHFFFAOYSA-N -1 3 288.253 3.404 20 0 CGADHM [O-]c1ccc(Nc2cccc(O)c2F)c(F)c1F ZINC001212549497 815063743 /nfs/dbraw/zinc/06/37/43/815063743.db2.gz PPBPIQOLXGFZLD-UHFFFAOYSA-N -1 3 255.195 3.259 20 0 CGADHM CC(C)c1nocc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC001151753792 805311254 /nfs/dbraw/zinc/31/12/54/805311254.db2.gz NNLDTIFPTDCUER-UHFFFAOYSA-N -1 3 280.711 3.409 20 0 CGADHM Cc1c(Cl)cccc1-c1noc(-c2ccc([O-])cn2)n1 ZINC001212557884 815068053 /nfs/dbraw/zinc/06/80/53/815068053.db2.gz FXSJBVPQHWRTME-UHFFFAOYSA-N -1 3 287.706 3.466 20 0 CGADHM CC(=O)c1ccc(C(=O)NC/C=C/c2ccccc2)cc1[O-] ZINC001152828587 805369976 /nfs/dbraw/zinc/36/99/76/805369976.db2.gz DMMZACHGBXRREO-VMPITWQZSA-N -1 3 295.338 3.038 20 0 CGADHM O=c1cc(Nc2ccc(Cl)c(F)c2F)[nH]c(=S)[n-]1 ZINC001250109733 805421349 /nfs/dbraw/zinc/42/13/49/805421349.db2.gz RBRQBOWPVINKQG-UHFFFAOYSA-N -1 3 289.694 3.146 20 0 CGADHM [O-]c1cc(Nc2cnn3ccccc23)ccc1Cl ZINC001212590357 815078189 /nfs/dbraw/zinc/07/81/89/815078189.db2.gz IWHYYBYQMPFKBN-UHFFFAOYSA-N -1 3 259.696 3.437 20 0 CGADHM [O-]c1cc(Nc2cc(Cl)ncc2CO)ccc1Cl ZINC001212590618 815078356 /nfs/dbraw/zinc/07/83/56/815078356.db2.gz VNSSUBSYBVUWCJ-UHFFFAOYSA-N -1 3 285.130 3.330 20 0 CGADHM COc1cccc(N)c1Nc1ccc(Cl)c([O-])c1 ZINC001212594391 815081057 /nfs/dbraw/zinc/08/10/57/815081057.db2.gz YLCYVRIWVHNWTD-UHFFFAOYSA-N -1 3 264.712 3.380 20 0 CGADHM Cc1cc(C)cc(N(C)Cc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC001167116893 807154802 /nfs/dbraw/zinc/15/48/02/807154802.db2.gz XSICSDNHPPSSOV-UHFFFAOYSA-N -1 3 283.375 3.313 20 0 CGADHM CCOc1cccc(-c2nnc(CC(C)(C)C)o2)c1[O-] ZINC001257903992 807248494 /nfs/dbraw/zinc/24/84/94/807248494.db2.gz ZONJFVDVOBFEBM-UHFFFAOYSA-N -1 3 276.336 3.430 20 0 CGADHM Cc1ccc(-c2noc(-c3cncc([O-])c3)n2)c(C)c1 ZINC001212708262 815109543 /nfs/dbraw/zinc/10/95/43/815109543.db2.gz CDHKTDFUKXCCTQ-UHFFFAOYSA-N -1 3 267.288 3.121 20 0 CGADHM COc1cccc(-c2nnc(CC3CCCC3)o2)c1[O-] ZINC001258602367 807500989 /nfs/dbraw/zinc/50/09/89/807500989.db2.gz SUVCQMILQKGSFY-UHFFFAOYSA-N -1 3 274.320 3.184 20 0 CGADHM FC(F)(F)c1cc(NC(C2CC2)C2CC2)nc(=S)[n-]1 ZINC001168742115 807501546 /nfs/dbraw/zinc/50/15/46/807501546.db2.gz AVHLQJQPBSURBZ-UHFFFAOYSA-N -1 3 289.326 3.385 20 0 CGADHM Cc1ccc(C(C)(C)Nc2ccc(=S)[n-]n2)cc1 ZINC001168800567 807516855 /nfs/dbraw/zinc/51/68/55/807516855.db2.gz WIKKHMJLPKWJCI-UHFFFAOYSA-N -1 3 259.378 3.421 20 0 CGADHM CC(C)c1ccc(-c2noc(-c3cnc[n-]c3=O)n2)cc1 ZINC001212754810 815127374 /nfs/dbraw/zinc/12/73/74/815127374.db2.gz PFZWBHRFEZEZLD-UHFFFAOYSA-N -1 3 282.303 3.023 20 0 CGADHM [O-]c1cc(Cl)cnc1Nc1cccc(CO)c1Cl ZINC001212760532 815130028 /nfs/dbraw/zinc/13/00/28/815130028.db2.gz HLYXYUMPANKGFI-UHFFFAOYSA-N -1 3 285.130 3.330 20 0 CGADHM Cc1ccc([O-])c(-c2nnc(-c3ccc(C)c(F)c3)o2)n1 ZINC001258776635 807606844 /nfs/dbraw/zinc/60/68/44/807606844.db2.gz MJWNFAPRJLOYPA-UHFFFAOYSA-N -1 3 285.278 3.260 20 0 CGADHM Cc1ccc2cc(NCc3ncccc3[O-])ncc2c1 ZINC001169727141 807698698 /nfs/dbraw/zinc/69/86/98/807698698.db2.gz PNDUHSGIQLLQPQ-UHFFFAOYSA-N -1 3 265.316 3.256 20 0 CGADHM CSc1cc(NCc2ncccc2[O-])ccc1C ZINC001169733612 807700916 /nfs/dbraw/zinc/70/09/16/807700916.db2.gz VCGOQFXMVYMZBF-UHFFFAOYSA-N -1 3 260.362 3.430 20 0 CGADHM Cc1cc(F)ncc1Nc1ncc(Cl)cc1[O-] ZINC001212813821 815144686 /nfs/dbraw/zinc/14/46/86/815144686.db2.gz SFNZNOSILYXOIY-UHFFFAOYSA-N -1 3 253.664 3.027 20 0 CGADHM CSc1ccc([O-])c(C(=O)N[C@H]2CCC[C@@H](F)C2)c1 ZINC001261745238 807780432 /nfs/dbraw/zinc/78/04/32/807780432.db2.gz CPQARFZJBMEFOA-ZJUUUORDSA-N -1 3 283.368 3.125 20 0 CGADHM CC(C)c1nnc([N-]c2ccc(CO)c(Cl)c2)o1 ZINC001212888113 815177421 /nfs/dbraw/zinc/17/74/21/815177421.db2.gz FZAICNQAKBCLJE-UHFFFAOYSA-N -1 3 267.716 3.082 20 0 CGADHM COc1ccc(Nc2ncc(Cl)cc2[O-])cc1F ZINC001173861854 808720633 /nfs/dbraw/zinc/72/06/33/808720633.db2.gz RNXZSHKHGJBMFA-UHFFFAOYSA-N -1 3 268.675 3.332 20 0 CGADHM COc1ccc(Nc2cc([O-])c(F)cc2F)cc1OC ZINC001173886533 808742376 /nfs/dbraw/zinc/74/23/76/808742376.db2.gz SGPNPLCKDIDSDG-UHFFFAOYSA-N -1 3 281.258 3.431 20 0 CGADHM CC(=O)Nc1ccc([N-]c2nnc(-c3ccco3)o2)cc1 ZINC001173973534 808797677 /nfs/dbraw/zinc/79/76/77/808797677.db2.gz QXEDSKSOEXMFGB-UHFFFAOYSA-N -1 3 284.275 3.032 20 0 CGADHM Cc1nc(Nc2ccc(OC(C)C)cc2)cc(=O)[n-]1 ZINC001174108906 808870434 /nfs/dbraw/zinc/87/04/34/808870434.db2.gz RVIJTMYRKQHQIZ-UHFFFAOYSA-N -1 3 259.309 3.021 20 0 CGADHM CC(=O)NCc1ccc(Nc2c(F)cc([O-])cc2F)cc1 ZINC001174234286 808916382 /nfs/dbraw/zinc/91/63/82/808916382.db2.gz ANCZCDYJZCPRAE-UHFFFAOYSA-N -1 3 292.285 3.050 20 0 CGADHM COc1cc(Nc2c(F)cc([O-])cc2F)ccc1O ZINC001174543485 809076241 /nfs/dbraw/zinc/07/62/41/809076241.db2.gz UXPBUPSBRLULKU-UHFFFAOYSA-N -1 3 267.231 3.128 20 0 CGADHM Cc1cc(O)ccc1Nc1ncc(Cl)cc1[O-] ZINC001174559649 809083112 /nfs/dbraw/zinc/08/31/12/809083112.db2.gz KANRAHWIWSRDTI-UHFFFAOYSA-N -1 3 250.685 3.198 20 0 CGADHM CCO[C@H](C)n1cc(Nc2cc(F)c([O-])cc2F)cn1 ZINC001174701894 809137087 /nfs/dbraw/zinc/13/70/87/809137087.db2.gz LFWROIQOICLLCT-MRVPVSSYSA-N -1 3 283.278 3.166 20 0 CGADHM CCOc1nnc(NC(=O)[C@H](CC)CC2CCCCC2)[n-]1 ZINC001174746106 809150892 /nfs/dbraw/zinc/15/08/92/809150892.db2.gz ZTBRQRXZFYBIFK-GFCCVEGCSA-N -1 3 294.399 3.139 20 0 CGADHM CCOc1nc(NC(=O)[C@H](CC)CC2CCCCC2)n[n-]1 ZINC001174746106 809150897 /nfs/dbraw/zinc/15/08/97/809150897.db2.gz ZTBRQRXZFYBIFK-GFCCVEGCSA-N -1 3 294.399 3.139 20 0 CGADHM CCOc1n[n-]c(NC(=O)[C@H](CC)CC2CCCCC2)n1 ZINC001174746106 809150902 /nfs/dbraw/zinc/15/09/02/809150902.db2.gz ZTBRQRXZFYBIFK-GFCCVEGCSA-N -1 3 294.399 3.139 20 0 CGADHM COc1ccc(Nc2cc(=O)[n-]c(C3CC3)n2)cc1C ZINC001174827800 809173594 /nfs/dbraw/zinc/17/35/94/809173594.db2.gz NUTXDTFBVYBEIE-UHFFFAOYSA-N -1 3 271.320 3.120 20 0 CGADHM CC(=O)c1ccncc1Nc1cc(F)c([O-])c(F)c1 ZINC001213373463 815271976 /nfs/dbraw/zinc/27/19/76/815271976.db2.gz GCFPELHANIRFNM-UHFFFAOYSA-N -1 3 264.231 3.012 20 0 CGADHM Cc1cnc(Nc2cc(F)c([O-])c(F)c2)c(F)c1 ZINC001213374809 815272353 /nfs/dbraw/zinc/27/23/53/815272353.db2.gz AIHXJIUCDVABOX-UHFFFAOYSA-N -1 3 254.211 3.257 20 0 CGADHM [O-]c1c(F)cc(Nc2cnccc2OC(F)F)cc1F ZINC001213377358 815273016 /nfs/dbraw/zinc/27/30/16/815273016.db2.gz LHRAGQBZRPDWQQ-UHFFFAOYSA-N -1 3 288.200 3.410 20 0 CGADHM CCOc1cc(Nc2cc(=O)[n-]c(C3CC3)n2)ccc1F ZINC001175051287 809254630 /nfs/dbraw/zinc/25/46/30/809254630.db2.gz XMUNHYQSEMWNQR-UHFFFAOYSA-N -1 3 289.310 3.341 20 0 CGADHM [O-]c1cc(F)c(Nc2cccc(F)c2O)c(F)c1 ZINC001175096643 809268973 /nfs/dbraw/zinc/26/89/73/809268973.db2.gz GWNAMIUWOILGDZ-UHFFFAOYSA-N -1 3 255.195 3.259 20 0 CGADHM [O-]c1cc(F)c(Nc2cccc3nsnc32)c(F)c1 ZINC001175100288 809271074 /nfs/dbraw/zinc/27/10/74/809271074.db2.gz LVPAMJLCVJFELI-UHFFFAOYSA-N -1 3 279.271 3.419 20 0 CGADHM CCOc1ccc(C)cc1Nc1ncc(F)cc1[O-] ZINC001175123507 809281199 /nfs/dbraw/zinc/28/11/99/809281199.db2.gz LXJOFWDMNLWICB-UHFFFAOYSA-N -1 3 262.284 3.377 20 0 CGADHM [O-]c1ccc(F)c(Nc2cc(F)nc(F)c2F)c1F ZINC001175263622 809328837 /nfs/dbraw/zinc/32/88/37/809328837.db2.gz NDOMJHOLQDACLC-UHFFFAOYSA-N -1 3 276.164 3.226 20 0 CGADHM COc1ccc(O)c(Nc2c(F)ccc([O-])c2F)c1 ZINC001175265425 809330951 /nfs/dbraw/zinc/33/09/51/809330951.db2.gz NYVPHRUHDLAMIW-UHFFFAOYSA-N -1 3 267.231 3.128 20 0 CGADHM Cn1nc(C2CCC2)cc1Nc1c(F)ccc([O-])c1F ZINC001175265877 809331668 /nfs/dbraw/zinc/33/16/68/809331668.db2.gz LSTMXJBNQKLTQD-UHFFFAOYSA-N -1 3 279.290 3.415 20 0 CGADHM CC(=O)c1ccc(F)c(Nc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC001175270516 809334809 /nfs/dbraw/zinc/33/48/09/809334809.db2.gz GJJYPHCXLKTFRC-UHFFFAOYSA-N -1 3 287.294 3.145 20 0 CGADHM Cc1nc(Cl)sc1C(=O)[N-]c1nocc1C1CC1 ZINC001288443053 809362012 /nfs/dbraw/zinc/36/20/12/809362012.db2.gz YRTGYVOYYSHSNS-UHFFFAOYSA-N -1 3 283.740 3.223 20 0 CGADHM COc1cc(C)c(Nc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC001175431317 809402403 /nfs/dbraw/zinc/40/24/03/809402403.db2.gz CPOJUSOTMIKMGX-UHFFFAOYSA-N -1 3 295.346 3.236 20 0 CGADHM COc1cccc([O-])c1C(=O)NCCCCc1ccccc1 ZINC001290437464 809407648 /nfs/dbraw/zinc/40/76/48/809407648.db2.gz VNZUNMQAKJENPE-UHFFFAOYSA-N -1 3 299.370 3.154 20 0 CGADHM C[S@](=O)c1ccc(Nc2c(F)cc([O-])cc2F)cc1 ZINC001175478885 809422730 /nfs/dbraw/zinc/42/27/30/809422730.db2.gz LBJWUAPGWWKRDW-IBGZPJMESA-N -1 3 283.299 3.151 20 0 CGADHM CCCCO[C@@H]1C[C@@H](NC(=O)c2ccccc2[O-])C1(C)C ZINC001294441549 809469183 /nfs/dbraw/zinc/46/91/83/809469183.db2.gz TXLPFUPUXLYKPE-HUUCEWRRSA-N -1 3 291.391 3.106 20 0 CGADHM CCCCO[C@@H]1C[C@H](NC(=O)c2ccccc2[O-])C1(C)C ZINC001294441551 809469410 /nfs/dbraw/zinc/46/94/10/809469410.db2.gz TXLPFUPUXLYKPE-LSDHHAIUSA-N -1 3 291.391 3.106 20 0 CGADHM CCNC(=O)c1ccc(Nc2c(F)cc([O-])cc2F)cc1 ZINC001175634014 809481775 /nfs/dbraw/zinc/48/17/75/809481775.db2.gz QKDHFCCVHYXXIK-UHFFFAOYSA-N -1 3 292.285 3.164 20 0 CGADHM CSc1ccc(CCC(=O)Nc2ncccc2[O-])cc1 ZINC001296270383 809501692 /nfs/dbraw/zinc/50/16/92/809501692.db2.gz DWZVRMCLDWQOHR-UHFFFAOYSA-N -1 3 288.372 3.080 20 0 CGADHM [O-]c1cc(F)cnc1Nc1ccc2ccncc2c1 ZINC001175702018 809512729 /nfs/dbraw/zinc/51/27/29/809512729.db2.gz QJFSIAXIEZCGQZ-UHFFFAOYSA-N -1 3 255.252 3.218 20 0 CGADHM [O-]c1cc(Nc2cnn(C3CCC3)c2)c(F)cc1F ZINC001175757784 809533419 /nfs/dbraw/zinc/53/34/19/809533419.db2.gz VYFGJNDZQNVQAL-UHFFFAOYSA-N -1 3 265.263 3.336 20 0 CGADHM COc1ccc(Nc2ccc([O-])c(F)c2F)cc1O ZINC001176257267 809655860 /nfs/dbraw/zinc/65/58/60/809655860.db2.gz RPZBGMYXTILCNT-UHFFFAOYSA-N -1 3 267.231 3.128 20 0 CGADHM Cc1nnc([N-]c2ccc(OCc3ccccc3)nc2)o1 ZINC001176300250 809665071 /nfs/dbraw/zinc/66/50/71/809665071.db2.gz ICPLDUQMFUNKSF-UHFFFAOYSA-N -1 3 282.303 3.096 20 0 CGADHM Cc1ncc([N-]c2nc3cc(Cl)ccc3o2)cn1 ZINC001176393946 809684951 /nfs/dbraw/zinc/68/49/51/809684951.db2.gz QAMWIAKXQRRGSX-UHFFFAOYSA-N -1 3 260.684 3.323 20 0 CGADHM Cc1ncc(Nc2cccc(OCC3CC3)c2)c(=O)[n-]1 ZINC001176493066 809708057 /nfs/dbraw/zinc/70/80/57/809708057.db2.gz LSEHACOWVSYLML-UHFFFAOYSA-N -1 3 271.320 3.023 20 0 CGADHM CCOc1cc(Nc2cc([O-])c(F)cc2F)c(F)cn1 ZINC001176602987 809728673 /nfs/dbraw/zinc/72/86/73/809728673.db2.gz FITASMXDTPCDJA-UHFFFAOYSA-N -1 3 284.237 3.347 20 0 CGADHM Cc1nc(Nc2cccc(OCC(C)C)c2)cc(=O)[n-]1 ZINC001213637740 815315309 /nfs/dbraw/zinc/31/53/09/815315309.db2.gz FFUIGZCSSBFAGW-UHFFFAOYSA-N -1 3 273.336 3.269 20 0 CGADHM O=C(/C=C/c1cc(F)cc(F)c1)Nc1ccc(F)c([O-])c1 ZINC001179567724 809930600 /nfs/dbraw/zinc/93/06/00/809930600.db2.gz VHBBMJAXXVODIK-DAFODLJHSA-N -1 3 293.244 3.461 20 0 CGADHM CCc1ccc(C(=O)N[C@@H](c2ccncc2)C2CC2)c([O-])c1 ZINC001180140596 809977195 /nfs/dbraw/zinc/97/71/95/809977195.db2.gz YPIIPITZOHGLHZ-QGZVFWFLSA-N -1 3 296.370 3.231 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CC[C@@H]2C2CCCC2)c1 ZINC001180875737 810024972 /nfs/dbraw/zinc/02/49/72/810024972.db2.gz OLNXHYIYJNQJPX-OAHLLOKOSA-N -1 3 273.376 3.359 20 0 CGADHM CCC1(CC)C[C@H]1C(=O)Nc1c([O-])cccc1C(C)=O ZINC001181886291 810080306 /nfs/dbraw/zinc/08/03/06/810080306.db2.gz KHOXTFRGFZIIHX-LBPRGKRZSA-N -1 3 275.348 3.360 20 0 CGADHM Cc1nc(NC(=O)Nc2c(C)cccc2Cl)cc(=O)[n-]1 ZINC001183719192 810157867 /nfs/dbraw/zinc/15/78/67/810157867.db2.gz XYKSGQYOHMUVSM-UHFFFAOYSA-N -1 3 292.726 3.096 20 0 CGADHM Cc1ccccc1CC1(C(=O)Nc2ncccc2[O-])CC1 ZINC001185182132 810242721 /nfs/dbraw/zinc/24/27/21/810242721.db2.gz MJTQJGWGQJSKML-UHFFFAOYSA-N -1 3 282.343 3.057 20 0 CGADHM CC(C)(C)[C@H]1CC[C@H]([N-]S(=O)(=O)c2ccco2)CC1 ZINC001186877573 810368617 /nfs/dbraw/zinc/36/86/17/810368617.db2.gz WLSWCNABCDRSEH-HAQNSBGRSA-N -1 3 285.409 3.163 20 0 CGADHM Cc1nc(NC(=O)c2ccc(C(C)(C)C)s2)cc(=O)[n-]1 ZINC001188245515 810471831 /nfs/dbraw/zinc/47/18/31/810471831.db2.gz NJZRQVMCYVDRQF-UHFFFAOYSA-N -1 3 291.376 3.102 20 0 CGADHM COc1cccc(C)c1C(=O)Nc1ccc(F)c([O-])c1 ZINC001188804080 810515154 /nfs/dbraw/zinc/51/51/54/810515154.db2.gz GOWBQOMUQUBNNP-UHFFFAOYSA-N -1 3 275.279 3.101 20 0 CGADHM Cc1ccc(Nc2ccc(-n3ccc(=O)[n-]3)cc2)c(N)c1 ZINC001214197039 815382317 /nfs/dbraw/zinc/38/23/17/815382317.db2.gz SKGXGFSVDRBCME-UHFFFAOYSA-N -1 3 280.331 3.212 20 0 CGADHM CC[C@H](C)CC[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC001192294996 810784133 /nfs/dbraw/zinc/78/41/33/810784133.db2.gz SSVONLWSPHGLOQ-VIFPVBQESA-N -1 3 293.791 3.194 20 0 CGADHM C[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1[O-])c1ccno1 ZINC001192341644 810787781 /nfs/dbraw/zinc/78/77/81/810787781.db2.gz YQGZKXDVYFXZOV-SNVBAGLBSA-N -1 3 288.347 3.169 20 0 CGADHM COCOc1ccc(C)c([N-]c2noc(C(C)(C)C)n2)c1 ZINC001214356812 815400977 /nfs/dbraw/zinc/40/09/77/815400977.db2.gz GQHGGGIXNNXYAZ-UHFFFAOYSA-N -1 3 291.351 3.402 20 0 CGADHM Cc1c[nH]c(=O)c(Nc2c(Cl)ccc([O-])c2F)c1 ZINC001214556583 815423285 /nfs/dbraw/zinc/42/32/85/815423285.db2.gz YYGKTQNZVAHNEV-UHFFFAOYSA-N -1 3 268.675 3.337 20 0 CGADHM [O-]c1ccc(Cl)c(Nc2cnc(Cl)nc2)c1F ZINC001214554433 815423595 /nfs/dbraw/zinc/42/35/95/815423595.db2.gz RGLIAJIRRMWKNS-UHFFFAOYSA-N -1 3 274.082 3.372 20 0 CGADHM Cc1c(F)ccc(F)c1C(=O)Nc1ccc(F)c([O-])c1 ZINC001196736811 811362012 /nfs/dbraw/zinc/36/20/12/811362012.db2.gz QQNYKTPOGZFXNK-UHFFFAOYSA-N -1 3 281.233 3.370 20 0 CGADHM Cc1c(Cl)onc1C(=O)[N-]c1csc2cnccc12 ZINC001199670149 811584084 /nfs/dbraw/zinc/58/40/84/811584084.db2.gz AORSXZCHNFWRFX-UHFFFAOYSA-N -1 3 293.735 3.498 20 0 CGADHM [O-]c1cnc(NC(=S)NC2CCCCC2)c(Cl)c1 ZINC001200643985 811725533 /nfs/dbraw/zinc/72/55/33/811725533.db2.gz OFYYYTHAYMZUDV-UHFFFAOYSA-N -1 3 285.800 3.060 20 0 CGADHM [O-]c1c(F)cc(Nc2cnn(C(F)F)c2)cc1F ZINC001201738531 811952633 /nfs/dbraw/zinc/95/26/33/811952633.db2.gz SGFACNNKJUSYRI-UHFFFAOYSA-N -1 3 261.178 3.006 20 0 CGADHM O=C(Nc1ccc(F)c([O-])c1)Nc1ccc(F)cc1F ZINC001202020495 811998396 /nfs/dbraw/zinc/99/83/96/811998396.db2.gz QRGSLJHPQYOSAD-UHFFFAOYSA-N -1 3 282.221 3.454 20 0 CGADHM C[C@H](NC(=O)Nc1ccc(F)c([O-])c1)c1ccccc1 ZINC001202506062 812110443 /nfs/dbraw/zinc/11/04/43/812110443.db2.gz HXAJKOKABCITNZ-JTQLQIEISA-N -1 3 274.295 3.414 20 0 CGADHM Cc1cc(C)cc(NC(=O)Nc2nc(C)ccc2[O-])c1 ZINC001202836080 812184485 /nfs/dbraw/zinc/18/44/85/812184485.db2.gz XHEDQYAENCGGSI-UHFFFAOYSA-N -1 3 271.320 3.356 20 0 CGADHM Cc1cc(C[C@H](C)Nc2cc(F)c([O-])cc2F)on1 ZINC001215569935 815536290 /nfs/dbraw/zinc/53/62/90/815536290.db2.gz JIKYWAJGSPBKRB-ZETCQYMHSA-N -1 3 268.263 3.010 20 0 CGADHM CCCc1cc(Nc2cc(F)c([O-])cc2F)on1 ZINC001215569641 815536753 /nfs/dbraw/zinc/53/67/53/815536753.db2.gz APHLQKLISPWWNY-UHFFFAOYSA-N -1 3 254.236 3.355 20 0 CGADHM [O-]c1cc(F)c(Nc2ncc3ccccc3n2)cc1F ZINC001215570242 815536762 /nfs/dbraw/zinc/53/67/62/815536762.db2.gz PIJWRFBZAAGHJR-UHFFFAOYSA-N -1 3 273.242 3.357 20 0 CGADHM [O-]c1cc(F)c(Nc2cc(C(F)(F)F)cnn2)cc1F ZINC001215572590 815537215 /nfs/dbraw/zinc/53/72/15/815537215.db2.gz MGMVHVBIFPXAEW-UHFFFAOYSA-N -1 3 291.179 3.223 20 0 CGADHM [O-]c1cc(F)c(Nc2cccn3nccc23)cc1F ZINC001215572360 815537642 /nfs/dbraw/zinc/53/76/42/815537642.db2.gz DLJFWLYBEULNJG-UHFFFAOYSA-N -1 3 261.231 3.062 20 0 CGADHM CCCOc1ccc(C)c(Nc2cc(=O)[n-]c(C)n2)c1 ZINC001215586849 815542918 /nfs/dbraw/zinc/54/29/18/815542918.db2.gz QPNZDVXBELLKEM-UHFFFAOYSA-N -1 3 273.336 3.331 20 0 CGADHM Fc1ccc(-c2ccc(=S)[n-]n2)c(Cl)c1F ZINC001205666132 813047436 /nfs/dbraw/zinc/04/74/36/813047436.db2.gz BRJISQHJQSTDKJ-UHFFFAOYSA-N -1 3 258.680 3.364 20 0 CGADHM CC(C)Cn1cc([N-]c2nnc(C(C)(C)C)s2)cn1 ZINC001205836849 813103323 /nfs/dbraw/zinc/10/33/23/813103323.db2.gz CEGADLKPYQUDHU-UHFFFAOYSA-N -1 3 279.413 3.432 20 0 CGADHM CCOC(=O)c1cc(C)cc(-c2ccc([O-])cc2F)n1 ZINC001206021353 813168748 /nfs/dbraw/zinc/16/87/48/813168748.db2.gz MBJUENQVILYXRN-UHFFFAOYSA-N -1 3 275.279 3.078 20 0 CGADHM CCCSc1ncnc(-c2ccc([O-])cc2F)c1OC ZINC001206044301 813179423 /nfs/dbraw/zinc/17/94/23/813179423.db2.gz IUFFJKJMNDGWAA-UHFFFAOYSA-N -1 3 294.351 3.499 20 0 CGADHM [O-]c1ccc(-c2ccc3nc(C(F)(F)F)[nH]c3n2)c(F)c1 ZINC001206043937 813179464 /nfs/dbraw/zinc/17/94/64/813179464.db2.gz AFFLKKYSFBRKFM-UHFFFAOYSA-N -1 3 297.211 3.488 20 0 CGADHM COc1cnc(F)cc1Nc1nc2c(cccc2[O-])s1 ZINC001215804105 815598931 /nfs/dbraw/zinc/59/89/31/815598931.db2.gz YDBCYGRFOLNKGG-UHFFFAOYSA-N -1 3 291.307 3.288 20 0 CGADHM [O-]c1ccc(CNCc2noc3ccc(F)cc23)cc1F ZINC001207197571 813515962 /nfs/dbraw/zinc/51/59/62/813515962.db2.gz RLECVFDWBWRDKZ-UHFFFAOYSA-N -1 3 290.269 3.101 20 0 CGADHM CCc1cncc(Nc2cc(=O)n(-c3ccccc3)[n-]2)c1 ZINC001209181666 813958361 /nfs/dbraw/zinc/95/83/61/813958361.db2.gz VGYUGCVXLQQMCE-UHFFFAOYSA-N -1 3 280.331 3.279 20 0 CGADHM [O-]c1cc(Nc2ccc(F)cc2O)c(F)cc1F ZINC001210019024 814247573 /nfs/dbraw/zinc/24/75/73/814247573.db2.gz XNOIYIQDVOGZQD-UHFFFAOYSA-N -1 3 255.195 3.259 20 0 CGADHM Cc1cc2cc(N)cnc2n1-c1cccc(Cl)c1[O-] ZINC001210215372 814344322 /nfs/dbraw/zinc/34/43/22/814344322.db2.gz GKTPNVXEMZADTG-UHFFFAOYSA-N -1 3 273.723 3.275 20 0 CGADHM [O-]c1c(Cl)cccc1Nc1ccn2nccc2c1 ZINC001210218823 814346235 /nfs/dbraw/zinc/34/62/35/814346235.db2.gz MIVZDTZIHZUGAP-UHFFFAOYSA-N -1 3 259.696 3.437 20 0 CGADHM CCc1cc2ncc(Nc3cccc(Cl)c3[O-])cn2n1 ZINC001210219404 814347364 /nfs/dbraw/zinc/34/73/64/814347364.db2.gz IFIZQASAKJLNGQ-UHFFFAOYSA-N -1 3 288.738 3.394 20 0 CGADHM CSc1cc(Nc2cccc(Cl)c2[O-])nn1C ZINC001210218340 814347459 /nfs/dbraw/zinc/34/74/59/814347459.db2.gz IIBPMBYVFZKRMP-UHFFFAOYSA-N -1 3 269.757 3.245 20 0 CGADHM COc1ccc(Nc2cccc(Cl)c2[O-])nc1OC ZINC001210216406 814347696 /nfs/dbraw/zinc/34/76/96/814347696.db2.gz WPUOIGAIMFKLHM-UHFFFAOYSA-N -1 3 280.711 3.201 20 0 CGADHM CN(C)c1cncc(Nc2cccc(Cl)c2[O-])c1 ZINC001210218694 814347717 /nfs/dbraw/zinc/34/77/17/814347717.db2.gz LIHWIOZOOZLDKZ-UHFFFAOYSA-N -1 3 263.728 3.250 20 0 CGADHM O=C1NCCc2ccc(Nc3cccc(Cl)c3[O-])cc21 ZINC001210223502 814350357 /nfs/dbraw/zinc/35/03/57/814350357.db2.gz XTHKVBGOWGXALU-UHFFFAOYSA-N -1 3 288.734 3.075 20 0 CGADHM Cn1c(=O)c(-c2cc([O-])ccc2F)cc2ccccc21 ZINC001242764217 823125671 /nfs/dbraw/zinc/12/56/71/823125671.db2.gz HMKXKQBXRWOTTO-UHFFFAOYSA-N -1 3 269.275 3.050 20 0 CGADHM [O-]c1cc(Cl)cnc1Nc1cccnc1OC(F)F ZINC001210622462 814559700 /nfs/dbraw/zinc/55/97/00/814559700.db2.gz RXCRVQCZCRKYLZ-UHFFFAOYSA-N -1 3 287.653 3.181 20 0 CGADHM [O-]c1ccc(Nc2cc(O)ccc2F)c(F)c1F ZINC001210800073 814632891 /nfs/dbraw/zinc/63/28/91/814632891.db2.gz DOIWUXFCUXUALG-UHFFFAOYSA-N -1 3 255.195 3.259 20 0 CGADHM CCc1nnc(Nc2cccc([O-])c2Cl)s1 ZINC001210844296 814649656 /nfs/dbraw/zinc/64/96/56/814649656.db2.gz CMIUPMHZTLZXQR-UHFFFAOYSA-N -1 3 255.730 3.203 20 0 CGADHM O=C1OCc2ccc(Nc3cccc([O-])c3Cl)cc21 ZINC001210855443 814652150 /nfs/dbraw/zinc/65/21/50/814652150.db2.gz NXBYPKGRKQFGBE-UHFFFAOYSA-N -1 3 275.691 3.460 20 0 CGADHM Cc1cc(Nc2cccc([O-])c2Cl)n(CCF)n1 ZINC001210855245 814652253 /nfs/dbraw/zinc/65/22/53/814652253.db2.gz LFBKWSWPRSMXCI-UHFFFAOYSA-N -1 3 269.707 3.264 20 0 CGADHM COc1ccc(Nc2cc(=O)n(-c3ccccc3)[n-]2)c(C)n1 ZINC001211041208 814716144 /nfs/dbraw/zinc/71/61/44/814716144.db2.gz KDNNUYCOTMTGMT-UHFFFAOYSA-N -1 3 296.330 3.034 20 0 CGADHM Cc1cc(C(=O)[O-])ccc1Nc1ccc2c(c1)CN(C)CC2 ZINC001211628705 814921840 /nfs/dbraw/zinc/92/18/40/814921840.db2.gz GBMGSWUGDOIXGF-UHFFFAOYSA-N -1 3 296.370 3.425 20 0 CGADHM COc1ccc(Nc2ncc(F)cc2[O-])cc1SC ZINC001215933332 815635232 /nfs/dbraw/zinc/63/52/32/815635232.db2.gz NDXUFKVCTLWPSA-UHFFFAOYSA-N -1 3 280.324 3.400 20 0 CGADHM COc1ccc(Nc2cc(=O)[n-]c(C)n2)cc1C(C)C ZINC001216000760 815657356 /nfs/dbraw/zinc/65/73/56/815657356.db2.gz OWYYRRQFHMZBFY-UHFFFAOYSA-N -1 3 273.336 3.366 20 0 CGADHM CC(C)c1ccc(N)c(Nc2ncc(F)cc2[O-])c1 ZINC001216020988 815662978 /nfs/dbraw/zinc/66/29/78/815662978.db2.gz SBPWVILMPICQJG-UHFFFAOYSA-N -1 3 261.300 3.376 20 0 CGADHM COc1ccc(Nc2c(F)cc([O-])cc2F)cc1N ZINC001216261241 815759441 /nfs/dbraw/zinc/75/94/41/815759441.db2.gz AAROGNDMGRXCOP-UHFFFAOYSA-N -1 3 266.247 3.005 20 0 CGADHM CC(C)(C)c1nsc([N-]c2ccc(CO)cc2F)n1 ZINC001216270510 815761816 /nfs/dbraw/zinc/76/18/16/815761816.db2.gz RQSXQFABDCOMBA-UHFFFAOYSA-N -1 3 281.356 3.211 20 0 CGADHM [O-]c1cc(Cl)cc(-c2nc(-c3cc(F)ccn3)no2)c1 ZINC001216702428 815895334 /nfs/dbraw/zinc/89/53/34/815895334.db2.gz SGPXAYPIQICOHL-UHFFFAOYSA-N -1 3 291.669 3.297 20 0 CGADHM Clc1ccc2[n-]c(-c3nc(-c4ccccn4)no3)nc2c1 ZINC001217257199 815916789 /nfs/dbraw/zinc/91/67/89/815916789.db2.gz LIRUNDLSARDMOV-UHFFFAOYSA-N -1 3 297.705 3.328 20 0 CGADHM Clc1ccc2nc(-c3nc(-c4ccccn4)no3)[n-]c2c1 ZINC001217257199 815916793 /nfs/dbraw/zinc/91/67/93/815916793.db2.gz LIRUNDLSARDMOV-UHFFFAOYSA-N -1 3 297.705 3.328 20 0 CGADHM Cc1ccc(-c2noc(-c3[n-]nc4c3cccc4F)n2)nc1 ZINC001217322622 815919566 /nfs/dbraw/zinc/91/95/66/815919566.db2.gz DPOKYZRNRQTQMP-UHFFFAOYSA-N -1 3 295.277 3.122 20 0 CGADHM Cc1cccnc1-c1noc(-c2[n-]nc3c2cccc3F)n1 ZINC001217323014 815919638 /nfs/dbraw/zinc/91/96/38/815919638.db2.gz MNJZETGCQXBKIW-UHFFFAOYSA-N -1 3 295.277 3.122 20 0 CGADHM S=c1[n-]c2c(cccc2O[C@H]2CNCc3ccccc32)o1 ZINC001218491180 816245222 /nfs/dbraw/zinc/24/52/22/816245222.db2.gz UITZHZRUKCNCMQ-AWEZNQCLSA-N -1 3 298.367 3.340 20 0 CGADHM CSc1ccccc1-c1cc(-c2nnn[n-]2)ccc1F ZINC001242944280 823182760 /nfs/dbraw/zinc/18/27/60/823182760.db2.gz RLGCFGDMRPKLTG-UHFFFAOYSA-N -1 3 286.335 3.395 20 0 CGADHM CSc1ccccc1-c1cc(-c2nn[n-]n2)ccc1F ZINC001242944280 823182761 /nfs/dbraw/zinc/18/27/61/823182761.db2.gz RLGCFGDMRPKLTG-UHFFFAOYSA-N -1 3 286.335 3.395 20 0 CGADHM O=c1ccc(-c2ccc(F)c([O-])c2)cn1-c1cccc(F)c1 ZINC001243045976 823223234 /nfs/dbraw/zinc/22/32/34/823223234.db2.gz DRQIXYGUAWPNQA-UHFFFAOYSA-N -1 3 299.276 3.488 20 0 CGADHM O=c1ccc(-c2ccc(F)c([O-])c2)cn1-c1ccccc1F ZINC001243046787 823223884 /nfs/dbraw/zinc/22/38/84/823223884.db2.gz LNMYYFPBXIXRMG-UHFFFAOYSA-N -1 3 299.276 3.488 20 0 CGADHM CC1(C)NC(=O)Cc2cc(-c3ccc(F)c([O-])c3)ccc21 ZINC001243048369 823226078 /nfs/dbraw/zinc/22/60/78/823226078.db2.gz YGPMOECTGPDSMN-UHFFFAOYSA-N -1 3 285.318 3.106 20 0 CGADHM CSc1ncc(C)c(-c2ccc(F)c([O-])c2)n1 ZINC001243049301 823226696 /nfs/dbraw/zinc/22/66/96/823226696.db2.gz PLKTUZOEMPSFQZ-UHFFFAOYSA-N -1 3 250.298 3.019 20 0 CGADHM COC(=O)c1c(F)ccc(-c2ccc(F)c([O-])c2)c1OC ZINC001243049793 823226996 /nfs/dbraw/zinc/22/69/96/823226996.db2.gz GBBGKTFMHVBFSG-UHFFFAOYSA-N -1 3 294.253 3.133 20 0 CGADHM COC(=O)c1cc2[nH]ccc2c(-c2ccc(F)c([O-])c2)c1 ZINC001243050399 823227360 /nfs/dbraw/zinc/22/73/60/823227360.db2.gz UXGIWCWMACYERS-UHFFFAOYSA-N -1 3 285.274 3.466 20 0 CGADHM COC(=O)c1c(F)cc(-c2ccc(F)c([O-])c2)cc1OC ZINC001243050916 823227547 /nfs/dbraw/zinc/22/75/47/823227547.db2.gz KWMLWMADVFOIDG-UHFFFAOYSA-N -1 3 294.253 3.133 20 0 CGADHM Cc1nc(-c2ccc(F)c([O-])c2)cc(C(F)(F)F)n1 ZINC001243050329 823227755 /nfs/dbraw/zinc/22/77/55/823227755.db2.gz XGKUXATXNOELLO-UHFFFAOYSA-N -1 3 272.201 3.316 20 0 CGADHM NC(=O)c1cc2cc(-c3ccc(F)c([O-])c3)ccc2o1 ZINC001243052506 823228977 /nfs/dbraw/zinc/22/89/77/823228977.db2.gz YMMNKJDWGGBYCX-UHFFFAOYSA-N -1 3 271.247 3.043 20 0 CGADHM [O-]c1cc(-c2ncnc3c(F)cccc32)ccc1F ZINC001243054968 823230033 /nfs/dbraw/zinc/23/00/33/823230033.db2.gz WKOZSBVLCMHPRF-UHFFFAOYSA-N -1 3 258.227 3.281 20 0 CGADHM C[C@@H](Oc1ccc2c([O-])coc2c1)c1cccnc1Cl ZINC001225343455 817020045 /nfs/dbraw/zinc/02/00/45/817020045.db2.gz XHQAXQKLPVJDPO-SECBINFHSA-N -1 3 289.718 3.450 20 0 CGADHM O=c1nc(O[C@@H]2CCC=CCCC2)c(C(F)(F)F)c[n-]1 ZINC001225580217 817099721 /nfs/dbraw/zinc/09/97/21/817099721.db2.gz VBYUKRNHIZEAKR-SECBINFHSA-N -1 3 288.269 3.469 20 0 CGADHM CCCCOC(=O)c1cccc(-c2ccc(=S)[n-]n2)c1 ZINC001243091210 823242914 /nfs/dbraw/zinc/24/29/14/823242914.db2.gz DASUQXQFHAULNK-UHFFFAOYSA-N -1 3 288.372 3.389 20 0 CGADHM FC(F)(F)c1cc(O[C@H]2C[C@H]3C=C[C@@H]2C3)nc(=S)[n-]1 ZINC001225852459 817196661 /nfs/dbraw/zinc/19/66/61/817196661.db2.gz JZWUNCNOGKSHIA-RNJXMRFFSA-N -1 3 288.294 3.128 20 0 CGADHM COCc1cc(O[C@@H](C)c2cccc(C)c2)[n-]c(=S)n1 ZINC001225931713 817221522 /nfs/dbraw/zinc/22/15/22/817221522.db2.gz AVRUXWVVXKIVBY-NSHDSACASA-N -1 3 290.388 3.360 20 0 CGADHM Cc1c(O[C@H](c2ccccc2)C(C)C)nc[n-]c1=O ZINC001226077681 817267180 /nfs/dbraw/zinc/26/71/80/817267180.db2.gz UGKOWTLYJYBSRN-ZDUSSCGKSA-N -1 3 258.321 3.267 20 0 CGADHM CC(=O)c1ccc([O-])c(O[C@H]2CCCC[C@@H]2C)c1O ZINC001226478079 817369933 /nfs/dbraw/zinc/36/99/33/817369933.db2.gz CQTXRTOISJAOEZ-ZANVPECISA-N -1 3 264.321 3.258 20 0 CGADHM CC1CCC(Oc2[n-]c(=O)nc3nc(Cl)ccc32)CC1 ZINC001226556765 817396292 /nfs/dbraw/zinc/39/62/92/817396292.db2.gz QYXPDCVUXJCAGF-UHFFFAOYSA-N -1 3 293.754 3.341 20 0 CGADHM C[C@H]1CC[C@H](Oc2c([O-])ccc3ccc(=O)oc32)CC1 ZINC001226594810 817407930 /nfs/dbraw/zinc/40/79/30/817407930.db2.gz BXUQAICITGQNIC-UMSPYCQHSA-N -1 3 274.316 3.456 20 0 CGADHM CCC[C@H](CC)Oc1c([O-])ccc2ccc(=O)oc21 ZINC001226596485 817409118 /nfs/dbraw/zinc/40/91/18/817409118.db2.gz KTDONQDAVOGRKS-NSHDSACASA-N -1 3 262.305 3.456 20 0 CGADHM CO[C@H]1CCCC[C@@H]1Oc1cccc([O-])c1Cl ZINC001226708989 817441198 /nfs/dbraw/zinc/44/11/98/817441198.db2.gz JZNNLBJEVQREFR-QWRGUYRKSA-N -1 3 256.729 3.382 20 0 CGADHM Cc1cc(O[C@@H](C)c2cccc(F)c2F)[n-]c(=S)n1 ZINC001226797476 817468339 /nfs/dbraw/zinc/46/83/39/817468339.db2.gz BVLDXWSHLLFHOP-QMMMGPOBSA-N -1 3 282.315 3.492 20 0 CGADHM Cc1cc(O[C@@H](C)c2ccc(F)c(F)c2)[n-]c(=S)n1 ZINC001226798445 817468747 /nfs/dbraw/zinc/46/87/47/817468747.db2.gz IEUDFOYSXRZJBH-QMMMGPOBSA-N -1 3 282.315 3.492 20 0 CGADHM CSc1ncc(-c2ccc(-c3nnn[n-]3)cc2C)cc1C ZINC001243157866 823267168 /nfs/dbraw/zinc/26/71/68/823267168.db2.gz BWULIHJEPQSKPO-UHFFFAOYSA-N -1 3 297.387 3.267 20 0 CGADHM CSc1ncc(-c2ccc(-c3nn[n-]n3)cc2C)cc1C ZINC001243157866 823267172 /nfs/dbraw/zinc/26/71/72/823267172.db2.gz BWULIHJEPQSKPO-UHFFFAOYSA-N -1 3 297.387 3.267 20 0 CGADHM O=c1cc(O[C@H]2CCCC[C@@H]2c2ccccc2)nc[n-]1 ZINC001226945666 817512229 /nfs/dbraw/zinc/51/22/29/817512229.db2.gz YXULCUVJZRIEHH-KGLIPLIRSA-N -1 3 270.332 3.287 20 0 CGADHM CCc1cnc(=S)[n-]c1O[C@H](C)c1ccccc1OC ZINC001227060877 817547134 /nfs/dbraw/zinc/54/71/34/817547134.db2.gz GHEFYSWXSOEAFL-SNVBAGLBSA-N -1 3 290.388 3.476 20 0 CGADHM CCc1cnc(=S)[n-]c1O[C@H](C)c1ccc(C)nc1 ZINC001227062334 817547983 /nfs/dbraw/zinc/54/79/83/817547983.db2.gz UBLYKEMVBHELSF-SNVBAGLBSA-N -1 3 275.377 3.171 20 0 CGADHM CC(C)OCCOc1c([O-])cc(Br)cc1F ZINC001227587535 817678077 /nfs/dbraw/zinc/67/80/77/817678077.db2.gz JWVIBLCVFJDEBT-UHFFFAOYSA-N -1 3 293.132 3.098 20 0 CGADHM Cc1cc(-c2ccc3c(c2)[N-]C(=S)C3)ccc1CO ZINC001243190706 823281567 /nfs/dbraw/zinc/28/15/67/823281567.db2.gz ACGRHRPTOCVICY-UHFFFAOYSA-N -1 3 269.369 3.450 20 0 CGADHM CCC[C@H](C)[C@H](CC)Oc1nc(C(=O)OC)ccc1[O-] ZINC001227824406 817727892 /nfs/dbraw/zinc/72/78/92/817727892.db2.gz GWJVROITEPUPBA-GWCFXTLKSA-N -1 3 281.352 3.167 20 0 CGADHM C[C@@H](COc1ncc(Cl)cc1[O-])OCc1ccccc1 ZINC001227981240 817771682 /nfs/dbraw/zinc/77/16/82/817771682.db2.gz UXZSYGOOTWAPRG-NSHDSACASA-N -1 3 293.750 3.425 20 0 CGADHM [O-]c1cc(Cl)cnc1O[C@@H]1CCOc2ccccc21 ZINC001227980562 817771942 /nfs/dbraw/zinc/77/19/42/817771942.db2.gz PWQVQZGKHQXCOP-CYBMUJFWSA-N -1 3 277.707 3.343 20 0 CGADHM CCCc1c([O-])ccc(C(C)=O)c1O[C@H]1CCCCC1=O ZINC001228135925 817821825 /nfs/dbraw/zinc/82/18/25/817821825.db2.gz JXFAZBPHPUKWLX-INIZCTEOSA-N -1 3 290.359 3.438 20 0 CGADHM c1ccc([C@@H](Oc2nnc(-c3cccnc3)[n-]2)C2CC2)cc1 ZINC001228694667 817974694 /nfs/dbraw/zinc/97/46/94/817974694.db2.gz DDCNNFCCDPIACQ-OAHLLOKOSA-N -1 3 292.342 3.397 20 0 CGADHM c1ccc([C@@H](Oc2nc(-c3cccnc3)n[n-]2)C2CC2)cc1 ZINC001228694667 817974700 /nfs/dbraw/zinc/97/47/00/817974700.db2.gz DDCNNFCCDPIACQ-OAHLLOKOSA-N -1 3 292.342 3.397 20 0 CGADHM c1ccc([C@@H](Oc2n[n-]c(-c3cccnc3)n2)C2CC2)cc1 ZINC001228694667 817974705 /nfs/dbraw/zinc/97/47/05/817974705.db2.gz DDCNNFCCDPIACQ-OAHLLOKOSA-N -1 3 292.342 3.397 20 0 CGADHM CC[C@@H](C)C[C@H](CC)Oc1nnc(-c2cccnc2)[n-]1 ZINC001228699103 817979330 /nfs/dbraw/zinc/97/93/30/817979330.db2.gz VLKKABYUNMFKLO-YPMHNXCESA-N -1 3 274.368 3.460 20 0 CGADHM CC[C@@H](C)C[C@H](CC)Oc1nc(-c2cccnc2)n[n-]1 ZINC001228699103 817979335 /nfs/dbraw/zinc/97/93/35/817979335.db2.gz VLKKABYUNMFKLO-YPMHNXCESA-N -1 3 274.368 3.460 20 0 CGADHM CC[C@@H](C)C[C@H](CC)Oc1n[n-]c(-c2cccnc2)n1 ZINC001228699103 817979341 /nfs/dbraw/zinc/97/93/41/817979341.db2.gz VLKKABYUNMFKLO-YPMHNXCESA-N -1 3 274.368 3.460 20 0 CGADHM Fc1ccc2c(c1)CC[C@H]2Oc1n[n-]c(-c2ccncc2)n1 ZINC001228700637 817979710 /nfs/dbraw/zinc/97/97/10/817979710.db2.gz UZXJRVLNWBGGIC-CQSZACIVSA-N -1 3 296.305 3.072 20 0 CGADHM CC[C@H]1CC[C@H](Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001231118297 818036411 /nfs/dbraw/zinc/03/64/11/818036411.db2.gz KTYGVRJDSYYYFN-AULYBMBSSA-N -1 3 272.352 3.214 20 0 CGADHM CC[C@H]1CC[C@H](Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001231118297 818036418 /nfs/dbraw/zinc/03/64/18/818036418.db2.gz KTYGVRJDSYYYFN-AULYBMBSSA-N -1 3 272.352 3.214 20 0 CGADHM CC(C)CCC[C@H](C)Oc1cccc(-c2nnn[n-]2)c1 ZINC001231118801 818036538 /nfs/dbraw/zinc/03/65/38/818036538.db2.gz WRKDBPGUZWGCKX-LBPRGKRZSA-N -1 3 274.368 3.460 20 0 CGADHM CC(C)CCC[C@H](C)Oc1cccc(-c2nn[n-]n2)c1 ZINC001231118801 818036541 /nfs/dbraw/zinc/03/65/41/818036541.db2.gz WRKDBPGUZWGCKX-LBPRGKRZSA-N -1 3 274.368 3.460 20 0 CGADHM [O-]c1c(F)ccc(CN2CC[C@H](c3ccccn3)C2)c1F ZINC001232935569 818477415 /nfs/dbraw/zinc/47/74/15/818477415.db2.gz UCUKKLNCMTZBRA-NSHDSACASA-N -1 3 290.313 3.055 20 0 CGADHM C[C@@H]1CCC[C@@H](C)N1Cc1cc([O-])c(F)c(F)c1 ZINC001232968345 818486068 /nfs/dbraw/zinc/48/60/68/818486068.db2.gz HTRUGQKUCFCYHC-NXEZZACHSA-N -1 3 255.308 3.433 20 0 CGADHM COc1cccc(CN(C)Cc2cccc([O-])c2F)c1 ZINC001233052690 818513685 /nfs/dbraw/zinc/51/36/85/818513685.db2.gz SPRJLACEHOKDLL-UHFFFAOYSA-N -1 3 275.323 3.172 20 0 CGADHM Oc1ccc2c(c1)CCN(Cc1ccc([S-])cc1)C2 ZINC001233259584 818559081 /nfs/dbraw/zinc/55/90/81/818559081.db2.gz YGBQKRRCBWFMLC-UHFFFAOYSA-N -1 3 271.385 3.239 20 0 CGADHM CCCC(=O)[C@@H](CCC)Oc1ccc2occ([O-])c2c1 ZINC001233677124 818677638 /nfs/dbraw/zinc/67/76/38/818677638.db2.gz FXSPMZBHXMLSPP-MRXNPFEDSA-N -1 3 276.332 3.178 20 0 CGADHM [O-]c1coc2ccc(O[C@H]3CC4CCC3CC4)cc12 ZINC001233678691 818679212 /nfs/dbraw/zinc/67/92/12/818679212.db2.gz WQSZKSHSPPNHHQ-PRDDCLIZSA-N -1 3 258.317 3.219 20 0 CGADHM [O-]c1cccc(O[C@H](c2cccnc2)C2CC2)c1F ZINC001233870819 818722620 /nfs/dbraw/zinc/72/26/20/818722620.db2.gz IXWGVXLICZUORE-HNNXBMFYSA-N -1 3 259.280 3.456 20 0 CGADHM Cn1c(-c2cccc(-c3nnn[n-]3)c2)cc2ccccc21 ZINC001243354106 823362543 /nfs/dbraw/zinc/36/25/43/823362543.db2.gz KZBLQSUKMAFGGK-UHFFFAOYSA-N -1 3 275.315 3.025 20 0 CGADHM Cn1c(-c2cccc(-c3nn[n-]n3)c2)cc2ccccc21 ZINC001243354106 823362549 /nfs/dbraw/zinc/36/25/49/823362549.db2.gz KZBLQSUKMAFGGK-UHFFFAOYSA-N -1 3 275.315 3.025 20 0 CGADHM CCCC/C=C/[C@H](C)Oc1cccc([O-])c1C(N)=O ZINC001234148946 818791914 /nfs/dbraw/zinc/79/19/14/818791914.db2.gz KNAJTZXRRFPCLB-IOCXFXADSA-N -1 3 263.337 3.005 20 0 CGADHM CCC[C@H](Oc1cccc([O-])c1C(N)=O)c1ccccc1 ZINC001234149298 818792686 /nfs/dbraw/zinc/79/26/86/818792686.db2.gz NHVIFOQJBZDELQ-AWEZNQCLSA-N -1 3 285.343 3.411 20 0 CGADHM CCCOC[C@@H](C)Oc1c([O-])cc(Cl)cc1F ZINC001234446341 818857281 /nfs/dbraw/zinc/85/72/81/818857281.db2.gz CZZLXGQBXVMGAV-MRVPVSSYSA-N -1 3 262.708 3.379 20 0 CGADHM C[C@@H](Oc1nc2c(cccc2[O-])[nH]1)c1cccnc1Cl ZINC001234446759 818857118 /nfs/dbraw/zinc/85/71/18/818857118.db2.gz HOSXUOWVAQRLAW-MRVPVSSYSA-N -1 3 289.722 3.457 20 0 CGADHM C[C@H]1CC[C@H](Oc2nc[n-]c(=O)c2-c2ccccc2)C1 ZINC001234692964 818916727 /nfs/dbraw/zinc/91/67/27/818916727.db2.gz SCSIBSXNTWVVFJ-AAEUAGOBSA-N -1 3 270.332 3.417 20 0 CGADHM COc1ccc([C@@H](C)Oc2nc3ccsc3[n-]2)cn1 ZINC001234847765 818932261 /nfs/dbraw/zinc/93/22/61/818932261.db2.gz LJUBMMAXXGVMLE-MRVPVSSYSA-N -1 3 275.333 3.168 20 0 CGADHM COc1ccc([C@@H](C)Oc2nc3sccc3[n-]2)cn1 ZINC001234847765 818932264 /nfs/dbraw/zinc/93/22/64/818932264.db2.gz LJUBMMAXXGVMLE-MRVPVSSYSA-N -1 3 275.333 3.168 20 0 CGADHM COC1=CC[C@@H](Oc2nc3ccsc3[n-]2)CC1 ZINC001234854816 818935576 /nfs/dbraw/zinc/93/55/76/818935576.db2.gz NCDWZBQMPLMZQD-SECBINFHSA-N -1 3 250.323 3.086 20 0 CGADHM COC1=CC[C@@H](Oc2nc3sccc3[n-]2)CC1 ZINC001234854816 818935582 /nfs/dbraw/zinc/93/55/82/818935582.db2.gz NCDWZBQMPLMZQD-SECBINFHSA-N -1 3 250.323 3.086 20 0 CGADHM CN(CC1CC1)c1cncc(-c2cc([O-])cc(Cl)c2)n1 ZINC001235899610 819208916 /nfs/dbraw/zinc/20/89/16/819208916.db2.gz ISSQXCGBINRTOJ-UHFFFAOYSA-N -1 3 289.766 3.349 20 0 CGADHM [O-]c1cc(Cl)cc(-c2nncc3cnccc32)c1 ZINC001235898903 819208963 /nfs/dbraw/zinc/20/89/63/819208963.db2.gz NPRGOQCASCACEO-UHFFFAOYSA-N -1 3 257.680 3.051 20 0 CGADHM CC(=O)Nc1c(C)ccnc1-c1cc([O-])cc(Cl)c1 ZINC001235899689 819209031 /nfs/dbraw/zinc/20/90/31/819209031.db2.gz SQSXZWRYKKBZRL-UHFFFAOYSA-N -1 3 276.723 3.374 20 0 CGADHM CCCNC(=O)c1cccnc1-c1cc([O-])cc(Cl)c1 ZINC001235901131 819210566 /nfs/dbraw/zinc/21/05/66/819210566.db2.gz RCARGVMPPYSWNR-UHFFFAOYSA-N -1 3 290.750 3.247 20 0 CGADHM COc1ccnc(F)c1-c1cc([O-])cc(Cl)c1 ZINC001235908111 819217774 /nfs/dbraw/zinc/21/77/74/819217774.db2.gz ACRYDLIFTMTVKK-UHFFFAOYSA-N -1 3 253.660 3.255 20 0 CGADHM Clc1nccc(-c2ccccc2-c2nnn[n-]2)c1Cl ZINC001243413939 823396688 /nfs/dbraw/zinc/39/66/88/823396688.db2.gz FUHIUGJRUYORNT-UHFFFAOYSA-N -1 3 292.129 3.236 20 0 CGADHM Clc1nccc(-c2ccccc2-c2nn[n-]n2)c1Cl ZINC001243413939 823396696 /nfs/dbraw/zinc/39/66/96/823396696.db2.gz FUHIUGJRUYORNT-UHFFFAOYSA-N -1 3 292.129 3.236 20 0 CGADHM Cc1cc(-c2nnn[n-]2)ccc1-c1ccc(Cl)cc1 ZINC001236098500 819316256 /nfs/dbraw/zinc/31/62/56/819316256.db2.gz UGRIQLHKJBGOIA-UHFFFAOYSA-N -1 3 270.723 3.496 20 0 CGADHM Cc1cc(-c2nn[n-]n2)ccc1-c1ccc(Cl)cc1 ZINC001236098500 819316259 /nfs/dbraw/zinc/31/62/59/819316259.db2.gz UGRIQLHKJBGOIA-UHFFFAOYSA-N -1 3 270.723 3.496 20 0 CGADHM Cc1ccc(F)c(-c2cccn(-c3ccccn3)c2=O)c1[O-] ZINC001236415556 819461201 /nfs/dbraw/zinc/46/12/01/819461201.db2.gz QKYHHFOZHWMUHV-UHFFFAOYSA-N -1 3 296.301 3.053 20 0 CGADHM Cc1ccc(-c2ccc(C)c(-c3nnn[n-]3)c2)c2c[nH]nc21 ZINC001236505783 819507189 /nfs/dbraw/zinc/50/71/89/819507189.db2.gz HCVBXAVVXOAMHG-UHFFFAOYSA-N -1 3 290.330 3.027 20 0 CGADHM Cc1ccc(-c2ccc(C)c(-c3nn[n-]n3)c2)c2c[nH]nc21 ZINC001236505783 819507192 /nfs/dbraw/zinc/50/71/92/819507192.db2.gz HCVBXAVVXOAMHG-UHFFFAOYSA-N -1 3 290.330 3.027 20 0 CGADHM [O-]c1cc(CN2CC[C@@](CF)(C(F)(F)F)C2)ccc1F ZINC001236703314 819576882 /nfs/dbraw/zinc/57/68/82/819576882.db2.gz MZYUYDHGQQBENI-LBPRGKRZSA-N -1 3 295.251 3.255 20 0 CGADHM [O-]c1c(F)cc(F)cc1-c1cc2nc[nH]c2cc1F ZINC001243504370 823422283 /nfs/dbraw/zinc/42/22/83/823422283.db2.gz LTJGAMMSDLQSBF-UHFFFAOYSA-N -1 3 264.206 3.353 20 0 CGADHM CN(Cc1cccs1)Cc1sc(=O)[n-]c1Cl ZINC001237151654 819680243 /nfs/dbraw/zinc/68/02/43/819680243.db2.gz PHKACWSYULSNEF-UHFFFAOYSA-N -1 3 274.798 3.196 20 0 CGADHM O=c1[n-]c(Cl)c(CN2CC(c3ccccc3)C2)s1 ZINC001237167399 819686639 /nfs/dbraw/zinc/68/66/39/819686639.db2.gz ZJQPINLFACBIEL-UHFFFAOYSA-N -1 3 280.780 3.102 20 0 CGADHM [S-]c1ccoc1CN1CCC[C@@H]1c1nccs1 ZINC001237192218 819695080 /nfs/dbraw/zinc/69/50/80/819695080.db2.gz QMNIKWYKAJTJCH-SECBINFHSA-N -1 3 266.391 3.362 20 0 CGADHM CN(Cc1cc([O-])cc(F)c1)Cc1cccc(F)c1F ZINC001237282455 819718167 /nfs/dbraw/zinc/71/81/67/819718167.db2.gz FPMAMNLPHHTCHZ-UHFFFAOYSA-N -1 3 281.277 3.442 20 0 CGADHM O=C1Nc2ccc(-c3cccc([O-])c3F)cc2C12CC2 ZINC001243548100 823440319 /nfs/dbraw/zinc/44/03/19/823440319.db2.gz ZJDBLLPHSVIRJW-UHFFFAOYSA-N -1 3 269.275 3.182 20 0 CGADHM CC(C)COc1cncc(-c2cccc([O-])c2F)n1 ZINC001243543123 823436641 /nfs/dbraw/zinc/43/66/41/823436641.db2.gz CYNNGUZUGPYWHR-UHFFFAOYSA-N -1 3 262.284 3.023 20 0 CGADHM [O-]c1cccc(-c2cccc(C3OCCO3)c2)c1F ZINC001243545135 823437846 /nfs/dbraw/zinc/43/78/46/823437846.db2.gz SZDVLXGTICAXEX-UHFFFAOYSA-N -1 3 260.264 3.244 20 0 CGADHM O=c1cc(-c2cccc([O-])c2F)ccn1-c1ccc(F)cc1 ZINC001243545836 823438360 /nfs/dbraw/zinc/43/83/60/823438360.db2.gz HIAAANIFGBZXKA-UHFFFAOYSA-N -1 3 299.276 3.488 20 0 CGADHM COC(=O)c1ccc(-c2cccc([O-])c2F)c(F)c1 ZINC001243546472 823438645 /nfs/dbraw/zinc/43/86/45/823438645.db2.gz NUNRUHSEQBYVAZ-UHFFFAOYSA-N -1 3 264.227 3.124 20 0 CGADHM COC(=O)c1cc2cc(-c3cccc([O-])c3F)ncc2o1 ZINC001243546493 823438879 /nfs/dbraw/zinc/43/88/79/823438879.db2.gz OBKOOEHXGPAETF-UHFFFAOYSA-N -1 3 287.246 3.126 20 0 CGADHM CCCCN(C)c1cncc(-c2cccc([O-])c2F)n1 ZINC001243546873 823438913 /nfs/dbraw/zinc/43/89/13/823438913.db2.gz QLPBLKIIGWTUQG-UHFFFAOYSA-N -1 3 275.327 3.225 20 0 CGADHM O=C1CSCN1c1ccc(-c2cccc([O-])c2F)cc1 ZINC001243546011 823439173 /nfs/dbraw/zinc/43/91/73/823439173.db2.gz FGFMHKMSSKODED-UHFFFAOYSA-N -1 3 289.331 3.236 20 0 CGADHM CCN(Cc1cccnc1)Cc1ccc(C(=O)[O-])cc1C ZINC001238140660 819941092 /nfs/dbraw/zinc/94/10/92/819941092.db2.gz TWQVXBNOHCERBQ-UHFFFAOYSA-N -1 3 284.359 3.110 20 0 CGADHM COc1cc(C)c2ncnc(-c3cccc([O-])c3F)c2c1 ZINC001243547336 823439954 /nfs/dbraw/zinc/43/99/54/823439954.db2.gz WLRHVFUZAPRQSG-UHFFFAOYSA-N -1 3 284.290 3.459 20 0 CGADHM COC(=O)[C@@H](C)c1ccc(-c2cccc([O-])c2F)cc1 ZINC001243547893 823440159 /nfs/dbraw/zinc/44/01/59/823440159.db2.gz WACPYSWSAVESHM-JTQLQIEISA-N -1 3 274.291 3.475 20 0 CGADHM C[C@H]1CCN(Cc2c(Br)ccc([O-])c2F)C1 ZINC001238305050 819973029 /nfs/dbraw/zinc/97/30/29/819973029.db2.gz KGAOGRHXASFKNW-QMMMGPOBSA-N -1 3 288.160 3.136 20 0 CGADHM Cc1ccc(-c2ccn(C(C)C)c2)cc1-c1nnn[n-]1 ZINC001239078811 820216052 /nfs/dbraw/zinc/21/60/52/820216052.db2.gz DSBSPCXFYGVWQA-UHFFFAOYSA-N -1 3 267.336 3.225 20 0 CGADHM Cc1ccc(-c2ccn(C(C)C)c2)cc1-c1nn[n-]n1 ZINC001239078811 820216057 /nfs/dbraw/zinc/21/60/57/820216057.db2.gz DSBSPCXFYGVWQA-UHFFFAOYSA-N -1 3 267.336 3.225 20 0 CGADHM [O-]c1cc(C(F)(F)F)ccc1-c1cnc(F)nc1F ZINC001243611391 823467196 /nfs/dbraw/zinc/46/71/96/823467196.db2.gz IOUGRILSHLKMSX-UHFFFAOYSA-N -1 3 276.164 3.146 20 0 CGADHM CCCn1cc(-c2ccc3c(c2)[N-]C(=S)C3)cn1 ZINC001240133168 820843339 /nfs/dbraw/zinc/84/33/39/820843339.db2.gz FNSFHLULGAAHSD-UHFFFAOYSA-N -1 3 257.362 3.256 20 0 CGADHM FC(F)(F)c1cc(-c2ccc3nccn3c2)nc(=S)[n-]1 ZINC001240216414 820888300 /nfs/dbraw/zinc/88/83/00/820888300.db2.gz GRKATUBGKYHCLJ-UHFFFAOYSA-N -1 3 296.277 3.099 20 0 CGADHM [O-]c1ccc(-c2ccnc(-c3nccs3)n2)cc1F ZINC001240785983 821324975 /nfs/dbraw/zinc/32/49/75/821324975.db2.gz HMAPBKHXYXQETK-UHFFFAOYSA-N -1 3 273.292 3.112 20 0 CGADHM COC(=O)c1cc(F)c(F)cc1-c1ccc([O-])c(F)c1 ZINC001240786962 821326937 /nfs/dbraw/zinc/32/69/37/821326937.db2.gz DNVTYOLFQGIQRE-UHFFFAOYSA-N -1 3 282.217 3.263 20 0 CGADHM COC(=O)c1c[nH]c2cc(-c3ccc([O-])c(F)c3)ccc21 ZINC001240787828 821329184 /nfs/dbraw/zinc/32/91/84/821329184.db2.gz RYTPNHSWQCCJRI-UHFFFAOYSA-N -1 3 285.274 3.466 20 0 CGADHM COC(=O)c1c(C)c(OC)ccc1-c1ccc([O-])c(F)c1 ZINC001240787173 821329275 /nfs/dbraw/zinc/32/92/75/821329275.db2.gz PHZVAGPDQZTTSA-UHFFFAOYSA-N -1 3 290.290 3.302 20 0 CGADHM COc1cc(OC)c(-c2ccc([O-])c(F)c2)cc1OC ZINC001240788120 821330170 /nfs/dbraw/zinc/33/01/70/821330170.db2.gz ZWMPCAJUIUZETK-UHFFFAOYSA-N -1 3 278.279 3.224 20 0 CGADHM Cn1c(=O)cc(-c2ccc([O-])c(F)c2)c2ccccc21 ZINC001240789231 821332529 /nfs/dbraw/zinc/33/25/29/821332529.db2.gz VTCJNBSVSAPFQO-UHFFFAOYSA-N -1 3 269.275 3.050 20 0 CGADHM COC(=O)c1c(F)c(-c2ccc([O-])c(F)c2)ccc1OC ZINC001240789727 821332902 /nfs/dbraw/zinc/33/29/02/821332902.db2.gz BPZAEZLAYJBRKE-UHFFFAOYSA-N -1 3 294.253 3.133 20 0 CGADHM COCOc1cc(-c2ccc([O-])c(F)c2)ccc1F ZINC001240789684 821332964 /nfs/dbraw/zinc/33/29/64/821332964.db2.gz AGGWIQJHRYQGCD-UHFFFAOYSA-N -1 3 266.243 3.320 20 0 CGADHM CC(C)(C)c1nc2c(ncnc2-c2ccccc2[O-])[nH]1 ZINC001241009533 821486495 /nfs/dbraw/zinc/48/64/95/821486495.db2.gz UKGYZBRRIHEPIN-UHFFFAOYSA-N -1 3 268.320 3.023 20 0 CGADHM Cc1cc(-c2ccccc2[O-])nc(-c2cccnc2)n1 ZINC001241009442 821486553 /nfs/dbraw/zinc/48/65/53/821486553.db2.gz PVYDTCFQRZBZSQ-UHFFFAOYSA-N -1 3 263.300 3.220 20 0 CGADHM COC(=O)n1ccc2ccc(-c3ccccc3[O-])nc21 ZINC001241009173 821486788 /nfs/dbraw/zinc/48/67/88/821486788.db2.gz RUIUBVRBHJPSBD-UHFFFAOYSA-N -1 3 268.272 3.023 20 0 CGADHM CCOc1ccc(F)cc1-c1ccccc1-c1nnn[n-]1 ZINC001241103012 821560230 /nfs/dbraw/zinc/56/02/30/821560230.db2.gz MOYNCBKYGFNUFZ-UHFFFAOYSA-N -1 3 284.294 3.072 20 0 CGADHM CCOc1ccc(F)cc1-c1ccccc1-c1nn[n-]n1 ZINC001241103012 821560238 /nfs/dbraw/zinc/56/02/38/821560238.db2.gz MOYNCBKYGFNUFZ-UHFFFAOYSA-N -1 3 284.294 3.072 20 0 CGADHM CC(C)(C)Oc1ncccc1-c1ccc(=S)[n-]n1 ZINC001241136510 821590756 /nfs/dbraw/zinc/59/07/56/821590756.db2.gz COQXEADRXDDMDS-UHFFFAOYSA-N -1 3 261.350 3.005 20 0 CGADHM CCOc1ccc(C)cc1-c1ccc(Cc2nnn[n-]2)cc1 ZINC001241147688 821600131 /nfs/dbraw/zinc/60/01/31/821600131.db2.gz QAWADJUKGMUSDE-UHFFFAOYSA-N -1 3 294.358 3.165 20 0 CGADHM CCOc1ccc(C)cc1-c1ccc(Cc2nn[n-]n2)cc1 ZINC001241147688 821600137 /nfs/dbraw/zinc/60/01/37/821600137.db2.gz QAWADJUKGMUSDE-UHFFFAOYSA-N -1 3 294.358 3.165 20 0 CGADHM Cc1ccc(C)c(-c2cc(F)cc(-c3nnn[n-]3)c2)c1 ZINC001241191657 821628101 /nfs/dbraw/zinc/62/81/01/821628101.db2.gz HQHXPDVNQJRVJD-UHFFFAOYSA-N -1 3 268.295 3.290 20 0 CGADHM Cc1ccc(C)c(-c2cc(F)cc(-c3nn[n-]n3)c2)c1 ZINC001241191657 821628107 /nfs/dbraw/zinc/62/81/07/821628107.db2.gz HQHXPDVNQJRVJD-UHFFFAOYSA-N -1 3 268.295 3.290 20 0 CGADHM [O-]c1cc(F)cc(-c2ncnc3cc(F)cc(F)c32)c1 ZINC001241262988 821682339 /nfs/dbraw/zinc/68/23/39/821682339.db2.gz UVJFWALZOCLJQH-UHFFFAOYSA-N -1 3 276.217 3.420 20 0 CGADHM COC(=O)CCc1ccc(-c2cc([O-])cc(F)c2)cc1 ZINC001241266895 821686844 /nfs/dbraw/zinc/68/68/44/821686844.db2.gz NQVQLEUXBPWEHK-UHFFFAOYSA-N -1 3 274.291 3.304 20 0 CGADHM CCOc1cc(-c2cc([O-])cc(F)c2)cnc1F ZINC001241280307 821698431 /nfs/dbraw/zinc/69/84/31/821698431.db2.gz JJZWLLCIQUTZND-UHFFFAOYSA-N -1 3 251.232 3.131 20 0 CGADHM [O-]c1cc(F)cc(-c2ccnc(OCC3CC3)c2)c1 ZINC001241280473 821698587 /nfs/dbraw/zinc/69/85/87/821698587.db2.gz NCHCOAVYDRHQSQ-UHFFFAOYSA-N -1 3 259.280 3.382 20 0 CGADHM COC(=O)c1c(F)c(-c2cc([O-])cc(F)c2)ccc1OC ZINC001241280905 821699631 /nfs/dbraw/zinc/69/96/31/821699631.db2.gz YGVNHFMIZAQSMR-UHFFFAOYSA-N -1 3 294.253 3.133 20 0 CGADHM COc1ncc(-c2c(F)ccc([O-])c2F)cc1C ZINC001241291747 821709266 /nfs/dbraw/zinc/70/92/66/821709266.db2.gz VKOOTDLCTXFEDX-UHFFFAOYSA-N -1 3 251.232 3.049 20 0 CGADHM CCOc1ccc(-c2c(F)ccc([O-])c2F)cn1 ZINC001241292698 821709280 /nfs/dbraw/zinc/70/92/80/821709280.db2.gz HVFKIDCEKRYTQX-UHFFFAOYSA-N -1 3 251.232 3.131 20 0 CGADHM COc1cnc(C)c(-c2c(F)ccc([O-])c2F)c1 ZINC001241292460 821709378 /nfs/dbraw/zinc/70/93/78/821709378.db2.gz AEYXSKHPSYCBET-UHFFFAOYSA-N -1 3 251.232 3.049 20 0 CGADHM CCCCOc1cccc(-c2cncc(-c3nnn[n-]3)c2)c1 ZINC001241292014 821709454 /nfs/dbraw/zinc/70/94/54/821709454.db2.gz DMBJIMQZPVPEAV-UHFFFAOYSA-N -1 3 295.346 3.108 20 0 CGADHM CCCCOc1cccc(-c2cncc(-c3nn[n-]n3)c2)c1 ZINC001241292014 821709458 /nfs/dbraw/zinc/70/94/58/821709458.db2.gz DMBJIMQZPVPEAV-UHFFFAOYSA-N -1 3 295.346 3.108 20 0 CGADHM [O-]c1ccc(F)c(-c2cnc3[nH]cc(F)c3c2)c1F ZINC001241292503 821709569 /nfs/dbraw/zinc/70/95/69/821709569.db2.gz CQFRUPJGNJGIIA-UHFFFAOYSA-N -1 3 264.206 3.353 20 0 CGADHM O=C1OCc2c1cccc2-c1c(F)ccc([O-])c1F ZINC001241293127 821710636 /nfs/dbraw/zinc/71/06/36/821710636.db2.gz QMVNQLKAJADVAK-UHFFFAOYSA-N -1 3 262.211 3.008 20 0 CGADHM CSc1cccc(-c2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC001241315532 821725824 /nfs/dbraw/zinc/72/58/24/821725824.db2.gz JHCKCMGPZPNGHG-UHFFFAOYSA-N -1 3 286.335 3.395 20 0 CGADHM CSc1cccc(-c2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC001241315532 821725825 /nfs/dbraw/zinc/72/58/25/821725825.db2.gz JHCKCMGPZPNGHG-UHFFFAOYSA-N -1 3 286.335 3.395 20 0 CGADHM Cc1ccc2cc(-c3ccc(-c4nnn[n-]4)cc3)ncc2c1 ZINC001241441532 821835565 /nfs/dbraw/zinc/83/55/65/821835565.db2.gz LTADYRAEMIVZGY-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM Cc1ccc2cc(-c3ccc(-c4nn[n-]n4)cc3)ncc2c1 ZINC001241441532 821835571 /nfs/dbraw/zinc/83/55/71/821835571.db2.gz LTADYRAEMIVZGY-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM Cc1ccc2[nH]ccc2c1-c1ccc(-c2nnn[n-]2)cc1 ZINC001241442734 821835682 /nfs/dbraw/zinc/83/56/82/821835682.db2.gz FPQYOLXGHCRUPT-UHFFFAOYSA-N -1 3 275.315 3.323 20 0 CGADHM Cc1ccc2[nH]ccc2c1-c1ccc(-c2nn[n-]n2)cc1 ZINC001241442734 821835691 /nfs/dbraw/zinc/83/56/91/821835691.db2.gz FPQYOLXGHCRUPT-UHFFFAOYSA-N -1 3 275.315 3.323 20 0 CGADHM c1cc2c(ccnc2-c2ccc(-c3nnn[n-]3)cc2)s1 ZINC001241441520 821836188 /nfs/dbraw/zinc/83/61/88/821836188.db2.gz ZJDDZQLKLKIFOC-UHFFFAOYSA-N -1 3 279.328 3.143 20 0 CGADHM c1cc2c(ccnc2-c2ccc(-c3nn[n-]n3)cc2)s1 ZINC001241441520 821836193 /nfs/dbraw/zinc/83/61/93/821836193.db2.gz ZJDDZQLKLKIFOC-UHFFFAOYSA-N -1 3 279.328 3.143 20 0 CGADHM Cc1cccc2ccnc(-c3ccc(-c4nnn[n-]4)cc3)c12 ZINC001241444075 821838266 /nfs/dbraw/zinc/83/82/66/821838266.db2.gz JXTYQVSNCSXGJC-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM Cc1cccc2ccnc(-c3ccc(-c4nn[n-]n4)cc3)c12 ZINC001241444075 821838268 /nfs/dbraw/zinc/83/82/68/821838268.db2.gz JXTYQVSNCSXGJC-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM Fc1ccc(-c2ccc(-c3nnn[n-]3)cc2)c2ncccc12 ZINC001241445678 821839552 /nfs/dbraw/zinc/83/95/52/821839552.db2.gz UESPBXSFYWAHCW-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Fc1ccc(-c2ccc(-c3nn[n-]n3)cc2)c2ncccc12 ZINC001241445678 821839558 /nfs/dbraw/zinc/83/95/58/821839558.db2.gz UESPBXSFYWAHCW-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM C=Cc1cc(F)cc(-c2ccc(-c3nnn[n-]3)cc2)c1 ZINC001241446316 821843245 /nfs/dbraw/zinc/84/32/45/821843245.db2.gz AWATVYUGBPHNAM-UHFFFAOYSA-N -1 3 266.279 3.316 20 0 CGADHM C=Cc1cc(F)cc(-c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001241446316 821843252 /nfs/dbraw/zinc/84/32/52/821843252.db2.gz AWATVYUGBPHNAM-UHFFFAOYSA-N -1 3 266.279 3.316 20 0 CGADHM CC(C)(C)OC(=O)c1cccc(-c2ccc(=S)[n-]n2)c1 ZINC001241536241 821927557 /nfs/dbraw/zinc/92/75/57/821927557.db2.gz BCXCZXTXBHZTJT-UHFFFAOYSA-N -1 3 288.372 3.388 20 0 CGADHM c1cc(-c2nnn[n-]2)cc(-c2ccc3ccncc3c2)c1 ZINC001241676868 822059655 /nfs/dbraw/zinc/05/96/55/822059655.db2.gz YQLPTWNXDPKBCD-UHFFFAOYSA-N -1 3 273.299 3.082 20 0 CGADHM c1cc(-c2nn[n-]n2)cc(-c2ccc3ccncc3c2)c1 ZINC001241676868 822059663 /nfs/dbraw/zinc/05/96/63/822059663.db2.gz YQLPTWNXDPKBCD-UHFFFAOYSA-N -1 3 273.299 3.082 20 0 CGADHM [O-]c1cc(F)ccc1-c1ccnc(N2CCCC2)c1 ZINC001242217318 822914404 /nfs/dbraw/zinc/91/44/04/822914404.db2.gz AGFPSCMGEFWXOG-UHFFFAOYSA-N -1 3 258.296 3.194 20 0 CGADHM [O-]c1cc(F)ccc1-c1cccc(C2OCCO2)c1 ZINC001242218121 822915024 /nfs/dbraw/zinc/91/50/24/822915024.db2.gz TUXKPKBMYGFSCO-UHFFFAOYSA-N -1 3 260.264 3.244 20 0 CGADHM COC(=O)c1cc(F)cc(-c2ccc(F)cc2[O-])c1 ZINC001242218890 822915426 /nfs/dbraw/zinc/91/54/26/822915426.db2.gz SFOFWNQBNDNRRL-UHFFFAOYSA-N -1 3 264.227 3.124 20 0 CGADHM [O-]c1cc(F)ccc1-c1ccc2[nH]c(=S)[nH]c2c1 ZINC001242218973 822915445 /nfs/dbraw/zinc/91/54/45/822915445.db2.gz FYKOVVSRTOJWLG-UHFFFAOYSA-N -1 3 260.293 3.363 20 0 CGADHM O=C1c2cc(-c3ccc(F)cc3[O-])ccc2CN1C1CC1 ZINC001242218596 822915915 /nfs/dbraw/zinc/91/59/15/822915915.db2.gz GRKKZBVHFRWJQP-UHFFFAOYSA-N -1 3 283.302 3.317 20 0 CGADHM COC(=O)/C=C/c1ccc(-c2ccc(F)cc2[O-])cc1 ZINC001242219803 822916303 /nfs/dbraw/zinc/91/63/03/822916303.db2.gz RNKHQPYNQKFNGD-RUDMXATFSA-N -1 3 272.275 3.385 20 0 CGADHM [O-]c1cc(F)ccc1-c1ccccc1C1OCCO1 ZINC001242221202 822916872 /nfs/dbraw/zinc/91/68/72/822916872.db2.gz SHTAJHYTSQCPNM-UHFFFAOYSA-N -1 3 260.264 3.244 20 0 CGADHM CC(C)Oc1ccccc1-c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001242224567 822918367 /nfs/dbraw/zinc/91/83/67/822918367.db2.gz UZMYRUBXCARDHD-UHFFFAOYSA-N -1 3 298.321 3.460 20 0 CGADHM CC(C)Oc1ccccc1-c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001242224567 822918370 /nfs/dbraw/zinc/91/83/70/822918370.db2.gz UZMYRUBXCARDHD-UHFFFAOYSA-N -1 3 298.321 3.460 20 0 CGADHM Cc1cccc(-c2ccc(-c3nnn[n-]3)cc2C)c1F ZINC001242238781 822921946 /nfs/dbraw/zinc/92/19/46/822921946.db2.gz KZYYGMJYIPFJQN-UHFFFAOYSA-N -1 3 268.295 3.290 20 0 CGADHM Cc1cccc(-c2ccc(-c3nn[n-]n3)cc2C)c1F ZINC001242238781 822921948 /nfs/dbraw/zinc/92/19/48/822921948.db2.gz KZYYGMJYIPFJQN-UHFFFAOYSA-N -1 3 268.295 3.290 20 0 CGADHM Cc1cc(-c2cc(F)cc(-c3nnn[n-]3)c2)ccc1N(C)C ZINC001242242563 822924112 /nfs/dbraw/zinc/92/41/12/822924112.db2.gz XEOXMBVMINMVES-UHFFFAOYSA-N -1 3 297.337 3.047 20 0 CGADHM Cc1cc(-c2cc(F)cc(-c3nn[n-]n3)c2)ccc1N(C)C ZINC001242242563 822924115 /nfs/dbraw/zinc/92/41/15/822924115.db2.gz XEOXMBVMINMVES-UHFFFAOYSA-N -1 3 297.337 3.047 20 0 CGADHM Cc1cc(-c2nnn[n-]2)ccc1-c1ccc2cnccc2c1 ZINC001242245294 822925669 /nfs/dbraw/zinc/92/56/69/822925669.db2.gz JQLFAMUUBTUNKO-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM Cc1cc(-c2nn[n-]n2)ccc1-c1ccc2cnccc2c1 ZINC001242245294 822925671 /nfs/dbraw/zinc/92/56/71/822925671.db2.gz JQLFAMUUBTUNKO-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM CC(=O)Nc1ccc(-c2cccc(F)c2[O-])cc1F ZINC001242351567 822962000 /nfs/dbraw/zinc/96/20/00/822962000.db2.gz WUWIVIVBYYUSIY-UHFFFAOYSA-N -1 3 263.243 3.296 20 0 CGADHM CC(C)n1ccc(-c2ccc3c(c2)[N-]C(=S)C3)n1 ZINC001242458323 822998860 /nfs/dbraw/zinc/99/88/60/822998860.db2.gz ZAOILTQESUFGAQ-UHFFFAOYSA-N -1 3 257.362 3.426 20 0 CGADHM CC1(C)CN(Cc2c(F)ccc([O-])c2F)C1(C)C ZINC001347700938 936892655 /nfs/dbraw/zinc/89/26/55/936892655.db2.gz CWEUMCCCSGCWHH-UHFFFAOYSA-N -1 3 255.308 3.291 20 0 CGADHM CC(=O)c1cc(C(C)C)c([O-])cc1O[C@H]1CCCOC1 ZINC001228958947 927312013 /nfs/dbraw/zinc/31/20/13/927312013.db2.gz OXTKDLKHNVAJEP-LBPRGKRZSA-N -1 3 278.348 3.276 20 0 CGADHM COC[C@H](Sc1cc(Cl)nc(=O)[n-]1)c1ccccc1 ZINC001421282072 937246554 /nfs/dbraw/zinc/24/65/54/937246554.db2.gz ZAUHCVFSTDTDIN-JTQLQIEISA-N -1 3 296.779 3.315 20 0 CGADHM CC[C@H]1CCN(Cc2nc(=O)c3sccc3[n-]2)[C@@H]1C ZINC001434466316 937248688 /nfs/dbraw/zinc/24/86/88/937248688.db2.gz JEPPAIUWTVVCEC-ZJUUUORDSA-N -1 3 277.393 3.017 20 0 CGADHM CC(=O)c1ccc(C(=O)Nc2ccc(C)cc2[O-])cc1C ZINC001440597097 937332544 /nfs/dbraw/zinc/33/25/44/937332544.db2.gz ZVVNBNNVMGUNHV-UHFFFAOYSA-N -1 3 283.327 3.464 20 0 CGADHM CCc1ccc(C(=O)NCc2ccc3c(c2)CCC3)c([O-])c1 ZINC001441478185 937338411 /nfs/dbraw/zinc/33/84/11/937338411.db2.gz VADYPYUUHIQRSM-UHFFFAOYSA-N -1 3 295.382 3.373 20 0 CGADHM O=C(Cc1nc(C2CC2)cs1)Nc1cccc([O-])c1F ZINC001446239660 937362693 /nfs/dbraw/zinc/36/26/93/937362693.db2.gz KOXGVCIDGFHHPO-UHFFFAOYSA-N -1 3 292.335 3.046 20 0 CGADHM Cc1cc(C)c(C(=O)Nc2cc(F)ccc2[O-])s1 ZINC001447287241 937367606 /nfs/dbraw/zinc/36/76/06/937367606.db2.gz KDMUWQLTIMFKGQ-UHFFFAOYSA-N -1 3 265.309 3.462 20 0 CGADHM C[C@H](C(=O)Nc1cc(Cl)ccc1[O-])c1cccc(O)c1 ZINC001546000411 937371301 /nfs/dbraw/zinc/37/13/01/937371301.db2.gz NBLDWYQUVXUUCL-VIFPVBQESA-N -1 3 291.734 3.493 20 0 CGADHM CCc1ncc(C(=O)Nc2c([O-])cccc2Cl)s1 ZINC001450264793 937384615 /nfs/dbraw/zinc/38/46/15/937384615.db2.gz XMLHUHHRVNLXHN-UHFFFAOYSA-N -1 3 282.752 3.317 20 0 CGADHM O=C(Cc1cc(Cl)cc(Cl)c1)[N-]OC/C=C\Cl ZINC001450778461 937387583 /nfs/dbraw/zinc/38/75/83/937387583.db2.gz NIPWFBHRVZOCEH-UPHRSURJSA-N -1 3 294.565 3.336 20 0 CGADHM CNc1nc(C(=O)[N-]c2cccc(F)c2SC)cs1 ZINC001453293234 937401535 /nfs/dbraw/zinc/40/15/35/937401535.db2.gz YPLZUCKZNDBVDF-UHFFFAOYSA-N -1 3 297.380 3.298 20 0 CGADHM COC(=O)c1coc(C(=O)[N-]c2c(F)cccc2Cl)c1 ZINC001458878885 937475362 /nfs/dbraw/zinc/47/53/62/937475362.db2.gz PYZMEPCMXVVGRL-UHFFFAOYSA-N -1 3 297.669 3.111 20 0 CGADHM C[C@@H](Oc1cc(O)cc([O-])c1Br)C1CC1 ZINC001229100607 932095127 /nfs/dbraw/zinc/09/51/27/932095127.db2.gz RBBJLWPZFOKMAH-ZCFIWIBFSA-N -1 3 273.126 3.038 20 0 CGADHM O=C1CCC(Oc2cccc([O-])c2Br)CC1 ZINC001229139454 932103334 /nfs/dbraw/zinc/10/33/34/932103334.db2.gz GXRUGIVHTWKQGF-UHFFFAOYSA-N -1 3 285.137 3.045 20 0 CGADHM C[C@@H](Oc1ccc(C(=O)CCN(C)C)cc1)C1=CC=C[CH]1 ZINC001229303528 932129358 /nfs/dbraw/zinc/12/93/58/932129358.db2.gz UCMDPUYSCCNSOL-CQSZACIVSA-N -1 3 284.379 3.289 20 0 CGADHM CCCCC[C@H](C)Oc1ccc(-c2nnn[n-]2)cc1OC ZINC001229337928 932136232 /nfs/dbraw/zinc/13/62/32/932136232.db2.gz OJYFFYMGRKCOJS-NSHDSACASA-N -1 3 290.367 3.223 20 0 CGADHM CCCCC[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1OC ZINC001229337928 932136236 /nfs/dbraw/zinc/13/62/36/932136236.db2.gz OJYFFYMGRKCOJS-NSHDSACASA-N -1 3 290.367 3.223 20 0 CGADHM Cc1csc2[n-]c(=S)nc(O[C@H]3CCOC[C@@H]3C)c12 ZINC001229353139 932138412 /nfs/dbraw/zinc/13/84/12/932138412.db2.gz LWTDYIZWJABVKF-CBAPKCEASA-N -1 3 296.417 3.092 20 0 CGADHM Fc1ccc2c(c1)CC[C@H]2Oc1ccccc1-c1nnn[n-]1 ZINC001229949473 932508633 /nfs/dbraw/zinc/50/86/33/932508633.db2.gz BKCRUOZJDMHHGA-OAHLLOKOSA-N -1 3 296.305 3.072 20 0 CGADHM Fc1ccc2c(c1)CC[C@H]2Oc1ccccc1-c1nn[n-]n1 ZINC001229949473 932508640 /nfs/dbraw/zinc/50/86/40/932508640.db2.gz BKCRUOZJDMHHGA-OAHLLOKOSA-N -1 3 296.305 3.072 20 0 CGADHM CCC[C@@H](C)Oc1nc(=O)[n-]cc1-c1ccccc1 ZINC001230974997 932651950 /nfs/dbraw/zinc/65/19/50/932651950.db2.gz OKGBCSLXBGZVIE-LLVKDONJSA-N -1 3 258.321 3.417 20 0 CGADHM CCCCC[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001231072989 932671075 /nfs/dbraw/zinc/67/10/75/932671075.db2.gz IHOYNJSWPQSIIG-LLVKDONJSA-N -1 3 260.341 3.214 20 0 CGADHM COc1ccccc1[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001231074558 932672264 /nfs/dbraw/zinc/67/22/64/932672264.db2.gz VPGQDFSDTYYGOY-LLVKDONJSA-N -1 3 296.330 3.015 20 0 CGADHM C[C@H](Oc1[n-]c(=O)nc2cccc(F)c21)C1CCC1 ZINC001231076396 932672587 /nfs/dbraw/zinc/67/25/87/932672587.db2.gz MVKQNWVQKGWOQO-QMMMGPOBSA-N -1 3 262.284 3.042 20 0 CGADHM Cc1ccc([C@H]2C[C@@H]2c2nnc(-c3ccc([O-])cn3)o2)cc1 ZINC001257209030 932730053 /nfs/dbraw/zinc/73/00/53/932730053.db2.gz FSASIKAHPGLDNF-KGLIPLIRSA-N -1 3 293.326 3.417 20 0 CGADHM C[C@@H](NCc1ccc([O-])c(F)c1F)c1cccc(O)c1 ZINC001308686973 933159297 /nfs/dbraw/zinc/15/92/97/933159297.db2.gz PTUKEZCVXLWWAF-SECBINFHSA-N -1 3 279.286 3.227 20 0 CGADHM Cc1cccc([O-])c1C(=O)N[C@H]1C[C@H]1C1CCCCC1 ZINC001465515115 937701238 /nfs/dbraw/zinc/70/12/38/937701238.db2.gz GPXIKHLDHYXIDE-KBPBESRZSA-N -1 3 273.376 3.399 20 0 CGADHM CSc1ccncc1[N-]C(=O)c1ccc(Cl)nc1F ZINC001465638904 937702388 /nfs/dbraw/zinc/70/23/88/937702388.db2.gz DZYRMFBBORIDBB-UHFFFAOYSA-N -1 3 297.742 3.243 20 0 CGADHM CC(C)(C)O[N-]C(=O)C[C@H]1CCc2ccccc2C1 ZINC001320338502 934033075 /nfs/dbraw/zinc/03/30/75/934033075.db2.gz SCISHKVYPNSXTI-LBPRGKRZSA-N -1 3 261.365 3.028 20 0 CGADHM Cc1ccc(C(=O)NC[C@@H]2CCC[C@@H]2C2CC2)c([O-])c1 ZINC001469008116 937734170 /nfs/dbraw/zinc/73/41/70/937734170.db2.gz MFWONKHVLAJSLF-UONOGXRCSA-N -1 3 273.376 3.257 20 0 CGADHM CC(C)(C)O[N-]C(=O)CC1CC(c2ccccc2)C1 ZINC001321332962 934177624 /nfs/dbraw/zinc/17/76/24/934177624.db2.gz VUSMKQIFHYRGMG-UHFFFAOYSA-N -1 3 261.365 3.417 20 0 CGADHM CSc1ccc([O-])c(C(=O)NC[C@@H]2C[C@@H]2[C@@H]2C[C@@H]2C)c1 ZINC001471882840 937770195 /nfs/dbraw/zinc/77/01/95/937770195.db2.gz ODPVXTQARJYVKX-DJIHRAIXSA-N -1 3 291.416 3.136 20 0 CGADHM CC(C)[C@H]1CC[C@@H](C)C[C@H]1C[N-]C(=O)C(F)(F)F ZINC001325210010 934894678 /nfs/dbraw/zinc/89/46/78/934894678.db2.gz KQOQBSKJBCBOIE-OUAUKWLOSA-N -1 3 265.319 3.373 20 0 CGADHM CC(C)(C)O[N-]C(=O)CCCCCc1ccc(O)cc1 ZINC001336244890 936183219 /nfs/dbraw/zinc/18/32/19/936183219.db2.gz RQFQFZSWYXCUMD-UHFFFAOYSA-N -1 3 279.380 3.341 20 0 CGADHM CC(C)(C)[S@](C)(=O)=NC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC001514604633 938002147 /nfs/dbraw/zinc/00/21/47/938002147.db2.gz NCQFMRMSKWWTGS-KRWDZBQOSA-N -1 3 297.207 3.358 20 0 CGADHM Cc1nocc1[N-]C(=O)c1cc(Cl)ccc1F ZINC001537836540 938113932 /nfs/dbraw/zinc/11/39/32/938113932.db2.gz CEKBTRCHTSLTMC-UHFFFAOYSA-N -1 3 254.648 3.028 20 0 CGADHM CC(=O)c1ccc(C(=O)NC(C)(C)c2ccccc2)cc1[O-] ZINC001544468200 938145256 /nfs/dbraw/zinc/14/52/56/938145256.db2.gz GVFOSGYUPYHCRY-UHFFFAOYSA-N -1 3 297.354 3.260 20 0 CGADHM CC1(C)[C@H](NCc2ccc(C(=O)[O-])cn2)[C@@H]1c1ccccc1 ZINC001550707441 938170370 /nfs/dbraw/zinc/17/03/70/938170370.db2.gz HFMAZVFFTIIYGV-JKSUJKDBSA-N -1 3 296.370 3.062 20 0 CGADHM O=C(Cc1cccc([O-])c1F)N1CCCCC2(CCC2)C1 ZINC001551632742 938183192 /nfs/dbraw/zinc/18/31/92/938183192.db2.gz TYOYCXYTMPREMT-UHFFFAOYSA-N -1 3 291.366 3.257 20 0 CGADHM CCCO[N-]C(=O)CCCc1ccc(C2CC2)cc1 ZINC001557192997 938208470 /nfs/dbraw/zinc/20/84/70/938208470.db2.gz MIXUTODEWDFBAA-UHFFFAOYSA-N -1 3 261.365 3.345 20 0 CGADHM O=C(CCc1cc(F)ccc1F)[N-]Oc1ccc(F)cc1 ZINC001557413311 938209805 /nfs/dbraw/zinc/20/98/05/938209805.db2.gz XBQSMOQHOXXJML-UHFFFAOYSA-N -1 3 295.260 3.147 20 0 CGADHM CC(C)[C@H](Cc1ccccc1)NC(=O)c1ccccc1[O-] ZINC001558361891 938214805 /nfs/dbraw/zinc/21/48/05/938214805.db2.gz AYKBBGSPWZPQLF-INIZCTEOSA-N -1 3 283.371 3.389 20 0 CGADHM CCc1ccc(C(=O)NC2CCC=CCC2)c([O-])c1 ZINC001558408885 938215232 /nfs/dbraw/zinc/21/52/32/938215232.db2.gz XHKKDBJVLWORRD-UHFFFAOYSA-N -1 3 259.349 3.183 20 0 CGADHM [O-]c1ccc(CN2CC[C@@H](c3ccco3)C2)c(F)c1F ZINC001560697168 938270991 /nfs/dbraw/zinc/27/09/91/938270991.db2.gz OULNFZCYCXLVSR-SNVBAGLBSA-N -1 3 279.286 3.253 20 0 CGADHM CC(C)[C@H]1CCC[C@H](Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000230990710 944626841 /nfs/dbraw/zinc/62/68/41/944626841.db2.gz MRABYQRLVCJOEZ-JSGCOSHPSA-N -1 3 285.395 3.493 20 0 CGADHM CC(C)[C@H]1CCC[C@H](Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000230990710 944626843 /nfs/dbraw/zinc/62/68/43/944626843.db2.gz MRABYQRLVCJOEZ-JSGCOSHPSA-N -1 3 285.395 3.493 20 0 CGADHM COc1cccc(CN(C)Cc2cccc(C(=O)[O-])c2)c1 ZINC000048894536 948908892 /nfs/dbraw/zinc/90/88/92/948908892.db2.gz UXUZPRTYLSOQCE-UHFFFAOYSA-N -1 3 285.343 3.025 20 0 CGADHM CC(C)(C)[C@@H]1CCN(Cc2cccc(C(=O)[O-])c2)CCO1 ZINC001602854300 971702444 /nfs/dbraw/zinc/70/24/44/971702444.db2.gz BVFBHOYHZSXBRJ-HNNXBMFYSA-N -1 3 291.391 3.022 20 0 CGADHM CC(=O)c1cccc(NC(=O)NCc2ccc(C)cc2)c1[O-] ZINC001185403216 957889180 /nfs/dbraw/zinc/88/91/80/957889180.db2.gz POQBLBZMDDKSFH-UHFFFAOYSA-N -1 3 298.342 3.225 20 0 CGADHM C[C@@H](NCc1ccc(C(=O)[O-])c(F)c1)c1cccs1 ZINC000235217409 960398447 /nfs/dbraw/zinc/39/84/47/960398447.db2.gz QTSZFFJISMTAOA-SECBINFHSA-N -1 3 279.336 3.436 20 0 CGADHM CC(C)=CCCNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001589377092 960493927 /nfs/dbraw/zinc/49/39/27/960493927.db2.gz LHAUEOVKHUDLKE-UHFFFAOYSA-N -1 3 277.759 3.288 20 0 CGADHM CC(C)=CCCNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001589377092 960493934 /nfs/dbraw/zinc/49/39/34/960493934.db2.gz LHAUEOVKHUDLKE-UHFFFAOYSA-N -1 3 277.759 3.288 20 0 CGADHM COCc1ccc(C(=O)Nc2cc(F)ccc2[O-])cc1F ZINC001567237355 961155783 /nfs/dbraw/zinc/15/57/83/961155783.db2.gz OEBFDAUWJLQUNT-UHFFFAOYSA-N -1 3 293.269 3.069 20 0 CGADHM O=C([N-]OCc1ccc(F)cc1)C12CCC(CC1)CC2 ZINC001567454816 961348508 /nfs/dbraw/zinc/34/85/08/961348508.db2.gz HVXRPNALZFXHNS-UHFFFAOYSA-N -1 3 277.339 3.344 20 0 CGADHM Cc1cccc(C(=O)Nc2ncccc2[O-])c1C(F)(F)F ZINC001567485831 961357782 /nfs/dbraw/zinc/35/77/82/961357782.db2.gz UAIZWMPDXUKMEM-UHFFFAOYSA-N -1 3 296.248 3.367 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)Cc1ccc(C)c(Cl)c1 ZINC001569750387 961837925 /nfs/dbraw/zinc/83/79/25/961837925.db2.gz UMBXFQOYUTVYFV-JTQLQIEISA-N -1 3 269.772 3.285 20 0 CGADHM CC(=O)c1cccc(NC(=O)c2ccccc2C(C)=O)c1[O-] ZINC001569928566 961878385 /nfs/dbraw/zinc/87/83/85/961878385.db2.gz YTJNLNQNZFDJDK-UHFFFAOYSA-N -1 3 297.310 3.050 20 0 CGADHM C[C@@H]1CCC[C@@H](COc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001576153965 962442554 /nfs/dbraw/zinc/44/25/54/962442554.db2.gz NXADHWJHOGGKKU-GHMZBOCLSA-N -1 3 290.342 3.211 20 0 CGADHM C[C@@H]1CCC[C@@H](COc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001576153965 962442573 /nfs/dbraw/zinc/44/25/73/962442573.db2.gz NXADHWJHOGGKKU-GHMZBOCLSA-N -1 3 290.342 3.211 20 0 CGADHM CCCC[C@H](N)C(=O)Nc1cc(Cl)cc(Cl)c1[O-] ZINC001577411897 962537264 /nfs/dbraw/zinc/53/72/64/962537264.db2.gz HNSOWXZOHIXXQG-VIFPVBQESA-N -1 3 291.178 3.155 20 0 CGADHM O=C(Cc1ccc(C2CCC2)cc1)[N-]OCC1CCC1 ZINC001585091899 962982458 /nfs/dbraw/zinc/98/24/58/962982458.db2.gz MXTWUQJPNZDTIK-UHFFFAOYSA-N -1 3 273.376 3.345 20 0 CGADHM CCc1ocnc1C(=O)[N-]c1ccc(F)cc1SC ZINC001585858502 963055987 /nfs/dbraw/zinc/05/59/87/963055987.db2.gz BNHZGTHJETXKJC-UHFFFAOYSA-N -1 3 280.324 3.350 20 0 CGADHM C[C@H]1CN(C(=O)c2cc3sccc3c([O-])c2)C[C@H]1C ZINC001586812115 963145121 /nfs/dbraw/zinc/14/51/21/963145121.db2.gz BYMWOEBFMNVSON-AOOOYVTPSA-N -1 3 275.373 3.335 20 0 CGADHM CCc1ccc(C(=O)NC(C)(C)C(O)(CC)CC)c([O-])c1 ZINC001587817595 963223698 /nfs/dbraw/zinc/22/36/98/963223698.db2.gz ZHSPJVGXYSRBPY-UHFFFAOYSA-N -1 3 293.407 3.014 20 0 CGADHM CC(C)(CCN[C@@H](c1ccccc1)c1ccccn1)C(=O)[O-] ZINC001588777942 963316730 /nfs/dbraw/zinc/31/67/30/963316730.db2.gz VGGKLNRXBCHKBK-INIZCTEOSA-N -1 3 298.386 3.262 20 0 CGADHM CC(C)Cc1ccc(CN[C@H](C(=O)[O-])c2ccccc2)cn1 ZINC001588906182 963326784 /nfs/dbraw/zinc/32/67/84/963326784.db2.gz OYUFUWDLHSCKLF-KRWDZBQOSA-N -1 3 298.386 3.196 20 0 CGADHM CC(C)(C)CCCCNc1ncc(-c2nnn[n-]2)cc1F ZINC001589122503 963345612 /nfs/dbraw/zinc/34/56/12/963345612.db2.gz BXRQGKLHPDSFIB-UHFFFAOYSA-N -1 3 292.362 3.029 20 0 CGADHM CC(C)(C)CCCCNc1ncc(-c2nn[n-]n2)cc1F ZINC001589122503 963345618 /nfs/dbraw/zinc/34/56/18/963345618.db2.gz BXRQGKLHPDSFIB-UHFFFAOYSA-N -1 3 292.362 3.029 20 0 CGADHM CSCCCCCN[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC000314836977 963819668 /nfs/dbraw/zinc/81/96/68/963819668.db2.gz UPJWKHGQDRTQFI-VIFPVBQESA-N -1 3 288.438 3.025 20 0 CGADHM CC(C)C[C@H](C)CNc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001589549818 964003347 /nfs/dbraw/zinc/00/33/47/964003347.db2.gz IPWFXDHNANSCAE-JTQLQIEISA-N -1 3 277.347 3.100 20 0 CGADHM CC(C)C[C@H](C)CNc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001589549818 964003356 /nfs/dbraw/zinc/00/33/56/964003356.db2.gz IPWFXDHNANSCAE-JTQLQIEISA-N -1 3 277.347 3.100 20 0 CGADHM O=C([O-])[C@H]1CN(CCCC(F)(F)F)Cc2ccccc21 ZINC000130212258 967624677 /nfs/dbraw/zinc/62/46/77/967624677.db2.gz UXUUJVDMTMCQLK-LBPRGKRZSA-N -1 3 287.281 3.013 20 0 CGADHM CN(Cc1cc(C(=O)[O-])ccc1F)C1CC(C)(C)C1 ZINC000395428720 972797380 /nfs/dbraw/zinc/79/73/80/972797380.db2.gz JZHOBOSSASRQRX-UHFFFAOYSA-N -1 3 265.328 3.144 20 0 CGADHM CCOc1cccc(Cl)c1CN1CC[C@](C)(C(=O)[O-])C1 ZINC001603876120 974378745 /nfs/dbraw/zinc/37/87/45/974378745.db2.gz XMCYQRTZAYQDMV-HNNXBMFYSA-N -1 3 297.782 3.035 20 0 CGADHM CCc1[nH]c(CN2CC[C@H]3CCCC[C@@H]3C2)cc1C(=O)[O-] ZINC001597385669 987596828 /nfs/dbraw/zinc/59/68/28/987596828.db2.gz WMWQYKCYBYEYKT-CHWSQXEVSA-N -1 3 290.407 3.287 20 0 CGADHM CN(Cc1ccc(C(=O)[O-])cn1)[C@@H]1C=CCCCCC1 ZINC001598515946 992617351 /nfs/dbraw/zinc/61/73/51/992617351.db2.gz WKZBQKDFOHTCEG-OAHLLOKOSA-N -1 3 274.364 3.101 20 0 CGADHM C[C@H](N[C@@H]1CCOC12CCCCC2)c1ccc(C(=O)[O-])o1 ZINC001593232241 994383822 /nfs/dbraw/zinc/38/38/22/994383822.db2.gz MYTWLPVYXRMEJB-SMDDNHRTSA-N -1 3 293.363 3.120 20 0 CGADHM C[C@H](c1ccc(C(=O)[O-])o1)N1CC[C@H](CC(F)(F)F)C1 ZINC001593686387 996122448 /nfs/dbraw/zinc/12/24/48/996122448.db2.gz ODRQFIOVFDCWLY-RKDXNWHRSA-N -1 3 291.269 3.313 20 0 CGADHM CC(C)(C)c1ccc(NC(=O)C[C@@H]2CCOC2)c([O-])c1 ZINC000337409332 214063104 /nfs/dbraw/zinc/06/31/04/214063104.db2.gz KTCKQCAQHLSFIG-NSHDSACASA-N -1 3 277.364 3.055 20 0 CGADHM FC(F)(F)c1c[n-]c(=NCC[C@H]2CC2(F)F)s1 ZINC000621346350 349503940 /nfs/dbraw/zinc/50/39/40/349503940.db2.gz LQQMZCTXCWUTLY-YFKPBYRVSA-N -1 3 272.242 3.041 20 0 CGADHM CCCC[C@H](C(=O)Nc1nnc(C(F)(F)F)[n-]1)C(C)C ZINC000621443179 349526752 /nfs/dbraw/zinc/52/67/52/349526752.db2.gz AUDVPVQDNLTNNQ-QMMMGPOBSA-N -1 3 292.305 3.224 20 0 CGADHM CCCC[C@H](C(=O)Nc1nc(C(F)(F)F)n[n-]1)C(C)C ZINC000621443179 349526754 /nfs/dbraw/zinc/52/67/54/349526754.db2.gz AUDVPVQDNLTNNQ-QMMMGPOBSA-N -1 3 292.305 3.224 20 0 CGADHM [O-]c1ccc(F)c(CN2CCC[C@H]3CCC[C@H]32)c1F ZINC000350703433 219049497 /nfs/dbraw/zinc/04/94/97/219049497.db2.gz WCMLBAVYVUWOGL-ZWNOBZJWSA-N -1 3 267.319 3.435 20 0 CGADHM CC(C)(C)c1ccc(NC(=O)Cc2cccnc2)c([O-])c1 ZINC000337654788 214200190 /nfs/dbraw/zinc/20/01/90/214200190.db2.gz MOJKOHQMZKRGCL-UHFFFAOYSA-N -1 3 284.359 3.266 20 0 CGADHM [O-]c1ccc(F)c(CN2CCC[C@@H]3CCC[C@H]32)c1F ZINC000350703431 219049611 /nfs/dbraw/zinc/04/96/11/219049611.db2.gz WCMLBAVYVUWOGL-GXFFZTMASA-N -1 3 267.319 3.435 20 0 CGADHM CN(CCC(F)(F)F)Cc1c(F)ccc([O-])c1F ZINC000350699252 219049630 /nfs/dbraw/zinc/04/96/30/219049630.db2.gz IIMBZMPGPKWNGG-UHFFFAOYSA-N -1 3 269.213 3.055 20 0 CGADHM Cc1cccc([O-])c1NC(=O)c1cnc2n1[C@@H](C)CCC2 ZINC000651638565 398261046 /nfs/dbraw/zinc/26/10/46/398261046.db2.gz CORIGHCAEGEQBE-NSHDSACASA-N -1 3 285.347 3.047 20 0 CGADHM COC(=O)c1cnc(SC[C@@H]2CCCC(F)(F)C2)[n-]1 ZINC000337779198 214257678 /nfs/dbraw/zinc/25/76/78/214257678.db2.gz ZXNBUXDLNLEWPD-MRVPVSSYSA-N -1 3 290.335 3.114 20 0 CGADHM CC[C@@H](C)[C@@H](C)N(C(=O)Cc1ccc([O-])c(F)c1)C1CC1 ZINC000448908334 529390511 /nfs/dbraw/zinc/39/05/11/529390511.db2.gz GADWUBNYFVQCPV-VXGBXAGGSA-N -1 3 293.382 3.499 20 0 CGADHM CC[C@]1(C)CCN(C(=O)c2ccc(C)c(C)c2[O-])C1 ZINC000436587156 529400036 /nfs/dbraw/zinc/40/00/36/529400036.db2.gz VYLPCGJHONLEHZ-MRXNPFEDSA-N -1 3 261.365 3.271 20 0 CGADHM CC(F)(F)CCNC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622071578 349626557 /nfs/dbraw/zinc/62/65/57/349626557.db2.gz ZIWCFZFXCKHGSI-UHFFFAOYSA-N -1 3 297.223 3.186 20 0 CGADHM CC[C@@H]1C[C@H]1CNC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622088425 349627891 /nfs/dbraw/zinc/62/78/91/349627891.db2.gz RBGZIMNGFICWGW-SCZZXKLOSA-N -1 3 287.281 3.187 20 0 CGADHM Cc1ncc(CN[C@@H]2CC[C@@H](C)c3ccccc32)c(=O)[n-]1 ZINC000346800002 282155753 /nfs/dbraw/zinc/15/57/53/282155753.db2.gz QKIAVGALQNABFA-BDJLRTHQSA-N -1 3 283.375 3.219 20 0 CGADHM CCc1cccc2c1OCC[C@H]2NC(=O)c1ccccc1[O-] ZINC000436633373 529557718 /nfs/dbraw/zinc/55/77/18/529557718.db2.gz YZXLYFQSNRENEY-OAHLLOKOSA-N -1 3 297.354 3.208 20 0 CGADHM CCc1ccc(-c2nc([C@H]3CCO[C@H](C)C3)no2)c([O-])c1 ZINC000436865866 529577760 /nfs/dbraw/zinc/57/77/60/529577760.db2.gz WBYXJHKVHPVNAT-PWSUYJOCSA-N -1 3 288.347 3.287 20 0 CGADHM CCc1ccc(C(=O)N[C@H](C)CCc2ccco2)c([O-])c1 ZINC000436802606 529607877 /nfs/dbraw/zinc/60/78/77/529607877.db2.gz JCTSGPVWEJXFLZ-GFCCVEGCSA-N -1 3 287.359 3.299 20 0 CGADHM CCc1ccc(C(=O)N[C@H]2CCc3c2cccc3O)c([O-])c1 ZINC000436812186 529609303 /nfs/dbraw/zinc/60/93/03/529609303.db2.gz AIVOHTQQAACXLW-HNNXBMFYSA-N -1 3 297.354 3.078 20 0 CGADHM CCc1ccc(C(=O)Nc2ccc(C)c(O)c2)c([O-])c1 ZINC000436638255 529609911 /nfs/dbraw/zinc/60/99/11/529609911.db2.gz COUOFSUNPAQUNN-UHFFFAOYSA-N -1 3 271.316 3.221 20 0 CGADHM CCc1ccc(C(=O)Nc2ccc(C)cc2O)c([O-])c1 ZINC000436803128 529610437 /nfs/dbraw/zinc/61/04/37/529610437.db2.gz MQDYIEHGTZDPLK-UHFFFAOYSA-N -1 3 271.316 3.221 20 0 CGADHM COCC1(C(=O)Nc2cccc([O-])c2F)CCCCC1 ZINC000623021889 349752365 /nfs/dbraw/zinc/75/23/65/349752365.db2.gz HRCPCDIWLYBCBE-UHFFFAOYSA-N -1 3 281.327 3.067 20 0 CGADHM CCc1ccnc(-c2noc(-c3cc(OC)ccc3[O-])n2)c1 ZINC000436593971 529624597 /nfs/dbraw/zinc/62/45/97/529624597.db2.gz CWOFUBRQHLWVIR-UHFFFAOYSA-N -1 3 297.314 3.075 20 0 CGADHM CC[C@H](C)CC(=O)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000357799356 529640745 /nfs/dbraw/zinc/64/07/45/529640745.db2.gz USYQCCBXCTULEZ-VIFPVBQESA-N -1 3 293.317 3.152 20 0 CGADHM CC[C@@H](NC(=O)c1ccc(C(C)C)cc1[O-])[C@@H]1CCCO1 ZINC000436668243 529667928 /nfs/dbraw/zinc/66/79/28/529667928.db2.gz BDGACPCAILPOMO-ZBFHGGJFSA-N -1 3 291.391 3.203 20 0 CGADHM CCc1cnccc1[C@@H](C)NC(=O)c1ccc(C)c(C)c1[O-] ZINC000436791268 529677182 /nfs/dbraw/zinc/67/71/82/529677182.db2.gz IZEDRBDNXIEGNV-CYBMUJFWSA-N -1 3 298.386 3.457 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CC[C@H](C)[C@H]2CC)c1 ZINC000436957735 529691328 /nfs/dbraw/zinc/69/13/28/529691328.db2.gz WYZFRVVWFFGFKJ-SMDDNHRTSA-N -1 3 261.365 3.215 20 0 CGADHM CCC[C@@H](NC(=O)c1ccccc1[O-])c1ccccn1 ZINC000591671979 346932884 /nfs/dbraw/zinc/93/28/84/346932884.db2.gz COJSTBYUPQZQJO-CQSZACIVSA-N -1 3 270.332 3.058 20 0 CGADHM C[C@H](CC(=O)N1CCCc2cccc([O-])c21)c1cccnc1 ZINC000336586092 136420181 /nfs/dbraw/zinc/42/01/81/136420181.db2.gz JJRDSISNDSNVND-CYBMUJFWSA-N -1 3 296.370 3.260 20 0 CGADHM CC[C@H](c1ccncc1)N(C)C(=O)c1ccc(C)cc1[O-] ZINC000128038677 187347291 /nfs/dbraw/zinc/34/72/91/187347291.db2.gz VGUMBMSLUJAAEJ-OAHLLOKOSA-N -1 3 284.359 3.319 20 0 CGADHM Cc1cccc([O-])c1C(=O)N(C)CC1CCCCC1 ZINC000623789385 349884828 /nfs/dbraw/zinc/88/48/28/349884828.db2.gz UEGPPLFXZRUZFO-UHFFFAOYSA-N -1 3 261.365 3.353 20 0 CGADHM Cc1nnc([N-]C(=O)c2cc3cccc(C)c3o2)s1 ZINC000041313670 344968443 /nfs/dbraw/zinc/96/84/43/344968443.db2.gz REVOWTKWPLCUNR-UHFFFAOYSA-N -1 3 273.317 3.153 20 0 CGADHM Cc1nc(-c2ccccc2)c(C(=O)[N-]c2cnoc2)s1 ZINC000623941693 349922772 /nfs/dbraw/zinc/92/27/72/349922772.db2.gz BYMLWVABUHMVBO-UHFFFAOYSA-N -1 3 285.328 3.359 20 0 CGADHM C[C@@H]1CCC[C@H](CNC(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC000056266477 345162034 /nfs/dbraw/zinc/16/20/34/345162034.db2.gz OERNAFAPMZXZEZ-OLZOCXBDSA-N -1 3 298.386 3.084 20 0 CGADHM CCC(CC)c1nnc([N-]C(=O)c2cnc(C)s2)s1 ZINC000063452037 345246959 /nfs/dbraw/zinc/24/69/59/345246959.db2.gz RWKDTZWPKPMQHM-UHFFFAOYSA-N -1 3 296.421 3.459 20 0 CGADHM Cc1cccc(C)c1OCCCNC(=O)c1ccccc1[O-] ZINC000065670488 345276501 /nfs/dbraw/zinc/27/65/01/345276501.db2.gz RJWTYYKQVGXKJZ-UHFFFAOYSA-N -1 3 299.370 3.208 20 0 CGADHM CCSc1ccc(C(=O)Nc2ccccc2[O-])cn1 ZINC000069370377 345379867 /nfs/dbraw/zinc/37/98/67/345379867.db2.gz VTMLWPTVLMSKKN-UHFFFAOYSA-N -1 3 274.345 3.152 20 0 CGADHM CCO[N-]C(=O)CCCCc1nc2ccccc2s1 ZINC000073083847 345430304 /nfs/dbraw/zinc/43/03/04/345430304.db2.gz KPQNDFMCLSSCSM-UHFFFAOYSA-N -1 3 278.377 3.077 20 0 CGADHM [O-]c1ccc(CNc2cnc3ccccc3n2)cc1F ZINC000078020075 345588770 /nfs/dbraw/zinc/58/87/70/345588770.db2.gz KRTGUIKEACASOV-UHFFFAOYSA-N -1 3 269.279 3.087 20 0 CGADHM C[C@@H](c1ccccc1F)N1CCC(CCC(=O)[O-])CC1 ZINC000086756134 345750696 /nfs/dbraw/zinc/75/06/96/345750696.db2.gz SFHTXPSCOLJCRZ-LBPRGKRZSA-N -1 3 279.355 3.464 20 0 CGADHM Cn1ccc2c1cccc2NC(=O)c1cccc([O-])c1 ZINC000082282595 345722428 /nfs/dbraw/zinc/72/24/28/345722428.db2.gz FNSRBBNCOKYJAZ-UHFFFAOYSA-N -1 3 266.300 3.136 20 0 CGADHM CN(C(=O)c1ccc2c(c1[O-])OC(C)(C)C2)c1ccccc1 ZINC000093900233 345892278 /nfs/dbraw/zinc/89/22/78/345892278.db2.gz WAVYTOJXYJFXDV-UHFFFAOYSA-N -1 3 297.354 3.382 20 0 CGADHM Cc1conc1[N-]C(=O)c1cc2cc(F)ccc2o1 ZINC000123249429 346008320 /nfs/dbraw/zinc/00/83/20/346008320.db2.gz XVELZOUCXAMJAC-UHFFFAOYSA-N -1 3 260.224 3.121 20 0 CGADHM CC[C@@H](C)N(CC(=O)[O-])Cc1cc(F)ccc1Cl ZINC000124450305 346013220 /nfs/dbraw/zinc/01/32/20/346013220.db2.gz UFAFXAQHYZQRDP-SECBINFHSA-N -1 3 273.735 3.164 20 0 CGADHM C[C@@H]1CCCC[C@H]1CNC(=O)NCc1ccc([O-])c(F)c1 ZINC000157729756 346162683 /nfs/dbraw/zinc/16/26/83/346162683.db2.gz OJDQNOMHVWWNBZ-YPMHNXCESA-N -1 3 294.370 3.157 20 0 CGADHM Cc1ccc(CN[C@@H](C(=O)[O-])c2cccc(F)c2)cc1 ZINC000211532372 346286066 /nfs/dbraw/zinc/28/60/66/346286066.db2.gz NUTUYPKXQFRSJA-OAHLLOKOSA-N -1 3 273.307 3.050 20 0 CGADHM CC(C)[C@@]1(C(=O)[O-])CCN(Cc2ccc(F)cc2Cl)C1 ZINC000232783647 346328231 /nfs/dbraw/zinc/32/82/31/346328231.db2.gz DRMMKVSYSJRQFP-OAHLLOKOSA-N -1 3 299.773 3.412 20 0 CGADHM C[C@@H](c1ccc(F)cc1F)N1CCC[C@](C)(C(=O)[O-])C1 ZINC000227830781 346312005 /nfs/dbraw/zinc/31/20/05/346312005.db2.gz CALXDVVRQOTWDV-BONVTDFDSA-N -1 3 283.318 3.213 20 0 CGADHM Cc1cc(C(=O)NCC2CCCCCC2)ccc1[O-] ZINC000389543680 346573033 /nfs/dbraw/zinc/57/30/33/346573033.db2.gz MFJSTPGSSORKNH-UHFFFAOYSA-N -1 3 261.365 3.401 20 0 CGADHM O=C([O-])C[C@@H]1CCCN(C/C=C/c2ccc(F)c(F)c2)C1 ZINC000584706918 346708816 /nfs/dbraw/zinc/70/88/16/346708816.db2.gz CGZDEEWMWCHPTQ-CHWPNHQFSA-N -1 3 295.329 3.165 20 0 CGADHM CCC[C@H](C(=O)Nc1ccccc1[O-])c1ccccn1 ZINC000339264491 215051981 /nfs/dbraw/zinc/05/19/81/215051981.db2.gz OEVRNKNQVYBBKU-LBPRGKRZSA-N -1 3 270.332 3.310 20 0 CGADHM Cc1c(C(=O)[N-]c2c(F)cccc2F)sc2nccn12 ZINC000339280596 215062922 /nfs/dbraw/zinc/06/29/22/215062922.db2.gz SGAXZTDKICGGKH-UHFFFAOYSA-N -1 3 293.298 3.235 20 0 CGADHM CCc1cc(=O)[n-]c(CSC[C@H](OC)C2CCCC2)n1 ZINC000596347327 347427180 /nfs/dbraw/zinc/42/71/80/347427180.db2.gz WPJOXHVGEMIEQI-ZDUSSCGKSA-N -1 3 296.436 3.183 20 0 CGADHM CSCC1(CCNC(=O)c2cc([O-])ccc2Cl)CC1 ZINC000597988215 347615381 /nfs/dbraw/zinc/61/53/81/347615381.db2.gz HYAHPSHUTRLTQW-UHFFFAOYSA-N -1 3 299.823 3.309 20 0 CGADHM CS[C@@H]1CCCC[C@H]1NC(=O)c1c(C)cccc1[O-] ZINC000600072226 347777947 /nfs/dbraw/zinc/77/79/47/347777947.db2.gz XIDLLIZPWLZFNJ-DGCLKSJQSA-N -1 3 279.405 3.105 20 0 CGADHM CS[C@@H]1CCC[C@H](NC(=O)c2c(C)cccc2[O-])C1 ZINC000599530534 347751373 /nfs/dbraw/zinc/75/13/73/347751373.db2.gz ZWUSDCYZLQTLDX-NWDGAFQWSA-N -1 3 279.405 3.105 20 0 CGADHM Cn1nccc1CSCc1cc([O-])ccc1Cl ZINC000600625427 347816988 /nfs/dbraw/zinc/81/69/88/347816988.db2.gz IGQOLNRCDVXIBC-UHFFFAOYSA-N -1 3 268.769 3.213 20 0 CGADHM Cc1cccc(C(=O)N2CC[C@@H]2c2cccc(F)c2)c1[O-] ZINC000608478465 348311765 /nfs/dbraw/zinc/31/17/65/348311765.db2.gz FWIKHNOJPWQHIG-OAHLLOKOSA-N -1 3 285.318 3.427 20 0 CGADHM COc1ccc(/C=C(\C)C(=O)[N-]OC2CCCC2)cc1F ZINC000273448508 192154511 /nfs/dbraw/zinc/15/45/11/192154511.db2.gz BKMBJEYKYINZSF-PKNBQFBNSA-N -1 3 293.338 3.228 20 0 CGADHM CO[C@H](C(=O)Nc1cc(F)ccc1[O-])C1CCCCC1 ZINC000613026640 348559834 /nfs/dbraw/zinc/55/98/34/348559834.db2.gz HGSIEIYAIQEEBU-AWEZNQCLSA-N -1 3 281.327 3.065 20 0 CGADHM CO[C@H](C(=O)Nc1cc(Cl)cc(C)c1[O-])C1CCCC1 ZINC000613034507 348560654 /nfs/dbraw/zinc/56/06/54/348560654.db2.gz FBYKFAYXVXJRPP-AWEZNQCLSA-N -1 3 297.782 3.498 20 0 CGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]CC(C)C)c1Cl ZINC000615126088 348715858 /nfs/dbraw/zinc/71/58/58/348715858.db2.gz NVZGAHZFAWZHGY-UHFFFAOYSA-N -1 3 296.219 3.236 20 0 CGADHM C[C@@H](C(=O)NCc1ccc([O-])c2ncccc12)C1CCCC1 ZINC000616025397 348782257 /nfs/dbraw/zinc/78/22/57/348782257.db2.gz NGCFJZKWQYRIDY-GFCCVEGCSA-N -1 3 298.386 3.383 20 0 CGADHM O=C(C[C@@H]1C=CCCC1)NCc1ccc([O-])c2ncccc12 ZINC000616023431 348782506 /nfs/dbraw/zinc/78/25/06/348782506.db2.gz RSMMGUGODJFEQW-CYBMUJFWSA-N -1 3 296.370 3.303 20 0 CGADHM O=[S@@](CCC1CCCCC1)c1cccc([O-])c1 ZINC000616194339 348797197 /nfs/dbraw/zinc/79/71/97/348797197.db2.gz TYXMRWMCTLZOQS-KRWDZBQOSA-N -1 3 252.379 3.470 20 0 CGADHM CC(=O)CC(C)(C)CC(=O)Nc1ccc([O-])cc1Cl ZINC000616940904 348884757 /nfs/dbraw/zinc/88/47/57/348884757.db2.gz JQBAUWBGDXSTLB-UHFFFAOYSA-N -1 3 283.755 3.380 20 0 CGADHM C[C@@H](C(=O)Nc1ccc([O-])cc1Cl)N1[C@H](C)CC[C@H]1C ZINC000616941789 348885645 /nfs/dbraw/zinc/88/56/45/348885645.db2.gz FSWUUXSEVZCOTL-MXWKQRLJSA-N -1 3 296.798 3.245 20 0 CGADHM CCCCO[C@@H](C)C(=O)Nc1ccc([O-])cc1Cl ZINC000616942012 348885945 /nfs/dbraw/zinc/88/59/45/348885945.db2.gz NICVFJJUIJVQFC-VIFPVBQESA-N -1 3 271.744 3.189 20 0 CGADHM CCCC[C@H](CC)CC(=O)Nc1cnc(C(=O)OCC)[n-]1 ZINC000617872424 349022265 /nfs/dbraw/zinc/02/22/65/349022265.db2.gz RQYFNGCYPADMNI-NSHDSACASA-N -1 3 295.383 3.131 20 0 CGADHM CCCC[C@H](CC)CC(=O)Nc1c[n-]c(C(=O)OCC)n1 ZINC000617872424 349022267 /nfs/dbraw/zinc/02/22/67/349022267.db2.gz RQYFNGCYPADMNI-NSHDSACASA-N -1 3 295.383 3.131 20 0 CGADHM CCCCn1c(=O)[n-]nc1S[C@@H](C)c1ccncc1 ZINC000619950529 349295578 /nfs/dbraw/zinc/29/55/78/349295578.db2.gz OWVBDZLPRFHPFC-JTQLQIEISA-N -1 3 278.381 3.032 20 0 CGADHM CCC(CC)CCCN(C)C(=O)c1ccc2n[n-]nc2c1 ZINC000620199974 349335433 /nfs/dbraw/zinc/33/54/33/349335433.db2.gz MMEMCOWVLAXWKP-UHFFFAOYSA-N -1 3 288.395 3.246 20 0 CGADHM CCc1cc(C(=O)NC2(CC(C)C)CC2)ccc1[O-] ZINC000620285811 349351552 /nfs/dbraw/zinc/35/15/52/349351552.db2.gz CHHIVJWHPGWYAD-UHFFFAOYSA-N -1 3 261.365 3.263 20 0 CGADHM Cc1cc(C(=O)NCC(F)(F)C(C)(C)C)ccc1[O-] ZINC000620614468 349394646 /nfs/dbraw/zinc/39/46/46/349394646.db2.gz PUJHIZOVOULUET-UHFFFAOYSA-N -1 3 271.307 3.112 20 0 CGADHM CCc1nc([N-]C(=O)c2ocnc2C(F)F)sc1C ZINC000624421763 350039187 /nfs/dbraw/zinc/03/91/87/350039187.db2.gz LLRJUFXEBHUDCZ-UHFFFAOYSA-N -1 3 287.291 3.192 20 0 CGADHM Cc1noc(C)c1[N-]C(=O)c1cccc(OC(C)(C)C)n1 ZINC000624731599 350092773 /nfs/dbraw/zinc/09/27/73/350092773.db2.gz MLIKVXPKLIMCOV-UHFFFAOYSA-N -1 3 289.335 3.116 20 0 CGADHM CC[C@H]1CN(Cc2cc([O-])ccc2Cl)C[C@@H](C)O1 ZINC000625161748 350135563 /nfs/dbraw/zinc/13/55/63/350135563.db2.gz WGCWNLIFCIEDCW-MFKMUULPSA-N -1 3 269.772 3.045 20 0 CGADHM CC(C)CO[C@@H]1CCN(Cc2cc([O-])ccc2Cl)C1 ZINC000625227812 350144612 /nfs/dbraw/zinc/14/46/12/350144612.db2.gz OZTBZFQLUULRDR-CQSZACIVSA-N -1 3 283.799 3.293 20 0 CGADHM C[C@@H]1CCN(Cc2cc([O-])ccc2Cl)C[C@@H]1F ZINC000625313462 350156873 /nfs/dbraw/zinc/15/68/73/350156873.db2.gz JZEFOWJZZDUKOY-RNCFNFMXSA-N -1 3 257.736 3.226 20 0 CGADHM CC(C)[C@@H]1CN(Cc2cc([O-])ccc2Cl)CCCO1 ZINC000625450209 350172848 /nfs/dbraw/zinc/17/28/48/350172848.db2.gz XTELAFNEOLZYQO-HNNXBMFYSA-N -1 3 283.799 3.293 20 0 CGADHM COCCC1CCN(Cc2cc([O-])ccc2Cl)CC1 ZINC000625632134 350187353 /nfs/dbraw/zinc/18/73/53/350187353.db2.gz SKRCDSNWTNKHJB-UHFFFAOYSA-N -1 3 283.799 3.294 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CCC2(C1)CCCCC2 ZINC000625836387 350217815 /nfs/dbraw/zinc/21/78/15/350217815.db2.gz FDDYYPJDGTUSLQ-UHFFFAOYSA-N -1 3 273.376 3.497 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CCC[C@H]2CCC[C@@H]21 ZINC000625840564 350218435 /nfs/dbraw/zinc/21/84/35/350218435.db2.gz QLZZTOQHELULSQ-OLZOCXBDSA-N -1 3 259.349 3.105 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1C[C@@H](C)CCC[C@H]1C ZINC000625797186 350214832 /nfs/dbraw/zinc/21/48/32/350214832.db2.gz RTOAEVWRLABAEC-WCQYABFASA-N -1 3 261.365 3.351 20 0 CGADHM C/C=C/C[C@H]1CCCN(Cc2ccoc2C(=O)[O-])C1 ZINC000625971731 350238996 /nfs/dbraw/zinc/23/89/96/350238996.db2.gz XDRINYQJGHZDBO-JDGPPOGSSA-N -1 3 263.337 3.156 20 0 CGADHM O=C(Cc1ccc([O-])cc1Cl)N1CC[C@@H](CC2CC2)C1 ZINC000359738987 233369127 /nfs/dbraw/zinc/36/91/27/233369127.db2.gz YRDZUBCEUKXFJT-LBPRGKRZSA-N -1 3 293.794 3.237 20 0 CGADHM Cc1nnc([N-]c2cnn(CC(C)C)c2C(F)F)nc1C ZINC000359754632 233372604 /nfs/dbraw/zinc/37/26/04/233372604.db2.gz BGUYYXMJCJAJRX-UHFFFAOYSA-N -1 3 296.325 3.022 20 0 CGADHM C/C=C/C[C@@H]1CCCN([C@@H](C)c2nc(C)cc(=O)[n-]2)C1 ZINC000626163026 350273509 /nfs/dbraw/zinc/27/35/09/350273509.db2.gz CVKRJNSACSCAAU-OOPLNXAUSA-N -1 3 275.396 3.230 20 0 CGADHM C[C@H](CC(=O)N1CCCc2cccc([O-])c21)C(F)(F)F ZINC000626318599 350294813 /nfs/dbraw/zinc/29/48/13/350294813.db2.gz YJIGNEBGKUEAFK-SECBINFHSA-N -1 3 287.281 3.260 20 0 CGADHM CC(C)(C)c1ccc(NC(=O)C23CC(C2)C3)c([O-])c1 ZINC000626916240 350347444 /nfs/dbraw/zinc/34/74/44/350347444.db2.gz PMVYYLHFJDBRBO-UHFFFAOYSA-N -1 3 259.349 3.428 20 0 CGADHM CCN(C(=O)c1c(C)cccc1[O-])[C@H]1CCOC(C)(C)C1 ZINC000627355919 350357689 /nfs/dbraw/zinc/35/76/89/350357689.db2.gz TYXJQKVJQJAXLK-ZDUSSCGKSA-N -1 3 291.391 3.120 20 0 CGADHM CCCCN(C(=O)c1cc(=O)[n-]cn1)[C@@H]1CCC[C@H](C)C1 ZINC000627542328 350364756 /nfs/dbraw/zinc/36/47/56/350364756.db2.gz IXPNECWRMZRQGM-QWHCGFSZSA-N -1 3 291.395 3.003 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CCC[C@]2(CCSC2)C1 ZINC000627682139 350375205 /nfs/dbraw/zinc/37/52/05/350375205.db2.gz CENGHKVHWZTDIH-INIZCTEOSA-N -1 3 291.416 3.060 20 0 CGADHM CC[C@@H]1CCC[C@H](C)N1C(=O)c1c(C)cccc1[O-] ZINC000628148197 350411671 /nfs/dbraw/zinc/41/16/71/350411671.db2.gz JJCFSLOJKRJYBM-QWHCGFSZSA-N -1 3 261.365 3.494 20 0 CGADHM O=[S@@](C[C@@H]1CCCCC1(F)F)c1ccc([O-])cc1 ZINC000335634332 212349195 /nfs/dbraw/zinc/34/91/95/212349195.db2.gz ZFRJDXIDDLZWNC-YPMLDQLKSA-N -1 3 274.332 3.325 20 0 CGADHM Cc1cc(=O)[n-]c(C(C)(C)NCc2cc(C)c(C)cc2C)n1 ZINC000628374580 350519997 /nfs/dbraw/zinc/51/99/97/350519997.db2.gz RACSMJCEPASCKC-UHFFFAOYSA-N -1 3 299.418 3.441 20 0 CGADHM O=C([O-])[C@@H]1CCN(Cc2ccc(Cl)s2)[C@@H]2CCC[C@H]21 ZINC000629373957 350682527 /nfs/dbraw/zinc/68/25/27/350682527.db2.gz QRVCIFSWPDWBLA-QJPTWQEYSA-N -1 3 299.823 3.477 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2C[C@@H]3CCCC[C@@]32C)c1 ZINC000629615217 350719533 /nfs/dbraw/zinc/71/95/33/350719533.db2.gz SVXAOTHMTROAAX-LRDDRELGSA-N -1 3 259.349 3.105 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)[C@H]2CCC2(C)C)c1-c1ccc(C)cc1 ZINC000630021881 350798587 /nfs/dbraw/zinc/79/85/87/350798587.db2.gz WSXRXQKXIDOJKI-CQSZACIVSA-N -1 3 297.402 3.490 20 0 CGADHM CC(C)Cc1csc2[n-]c(-c3cncnc3)nc(=O)c12 ZINC000630385622 350831101 /nfs/dbraw/zinc/83/11/01/350831101.db2.gz QIXNHRBGXTUPLD-UHFFFAOYSA-N -1 3 286.360 3.052 20 0 CGADHM C[C@@H](CCCC(=O)[O-])NCc1c(F)ccc(F)c1Cl ZINC000630450152 350841661 /nfs/dbraw/zinc/84/16/61/350841661.db2.gz ACMMWWVWCXGTNP-QMMMGPOBSA-N -1 3 291.725 3.351 20 0 CGADHM CC[C@@](C)(CNCc1c(F)ccc(F)c1Cl)C(=O)[O-] ZINC000630452012 350842369 /nfs/dbraw/zinc/84/23/69/350842369.db2.gz OYPHVBACWWEINW-ZDUSSCGKSA-N -1 3 291.725 3.209 20 0 CGADHM CCOC(C)(C)C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000632886071 351227223 /nfs/dbraw/zinc/22/72/23/351227223.db2.gz IWXMWNFWBJZVTH-UHFFFAOYSA-N -1 3 279.380 3.443 20 0 CGADHM O=C(Nc1ccccc1[O-])[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000116441304 186713877 /nfs/dbraw/zinc/71/38/77/186713877.db2.gz SUUOLVWXDYXOQF-VHSXEESVSA-N -1 3 289.281 3.413 20 0 CGADHM O=C([N-]c1nc(C2CCCCC2)cs1)c1csnn1 ZINC000633746642 351358010 /nfs/dbraw/zinc/35/80/10/351358010.db2.gz IRNISTRTKJSGCE-UHFFFAOYSA-N -1 3 294.405 3.295 20 0 CGADHM O=C([N-]c1cc(F)c(F)cc1F)c1ncoc1C1CC1 ZINC000336510372 213386065 /nfs/dbraw/zinc/38/60/65/213386065.db2.gz DLVFAQMEWXNADN-UHFFFAOYSA-N -1 3 282.221 3.222 20 0 CGADHM CCOc1ncccc1NC(=O)c1ccc([O-])c(CC)c1 ZINC000291418608 198016378 /nfs/dbraw/zinc/01/63/78/198016378.db2.gz GLHODCVSVRISDY-UHFFFAOYSA-N -1 3 286.331 3.001 20 0 CGADHM CC[C@H](OC)C(=O)[N-]c1onc(C2CCCCC2)c1C ZINC000291392462 198008898 /nfs/dbraw/zinc/00/88/98/198008898.db2.gz CTFWMKKMOIXQCF-LBPRGKRZSA-N -1 3 280.368 3.394 20 0 CGADHM CCc1[n-]n(CCc2ccccc2)c(=O)c1C(C)C ZINC000634592615 351528634 /nfs/dbraw/zinc/52/86/34/351528634.db2.gz OZPQFEOKOGMQKV-HNNXBMFYSA-N -1 3 258.365 3.110 20 0 CGADHM CCc1c(=O)n(C[C@@H]2CCSC2)[n-]c1-c1ccccc1 ZINC000634628645 351551356 /nfs/dbraw/zinc/55/13/56/351551356.db2.gz CDYUMXZTCASBTH-JSGCOSHPSA-N -1 3 288.416 3.012 20 0 CGADHM Cc1nc(C)c(C(=O)[N-]c2cc(Cl)cc(F)c2F)o1 ZINC000336501150 213376435 /nfs/dbraw/zinc/37/64/35/213376435.db2.gz ODEDRVSXZQBCFD-UHFFFAOYSA-N -1 3 286.665 3.475 20 0 CGADHM Cc1ccc(NC(=O)[C@H]2CC(=O)c3ccccc32)c([O-])c1 ZINC000336497506 213370581 /nfs/dbraw/zinc/37/05/81/213370581.db2.gz ZYXGWYJGGVJNHR-ZDUSSCGKSA-N -1 3 281.311 3.009 20 0 CGADHM C[C@]1(C2CCCCC2)CCN1C(=O)c1ccc(O)cc1[O-] ZINC000636385513 351747611 /nfs/dbraw/zinc/74/76/11/351747611.db2.gz JRHVZPFTMJQMAJ-QGZVFWFLSA-N -1 3 289.375 3.283 20 0 CGADHM CCc1cc(=O)[n-]c(CN2CC[C@@H](c3ccccc3)[C@@H]2C)n1 ZINC000122078635 187013900 /nfs/dbraw/zinc/01/39/00/187013900.db2.gz SVEHHMBIFIZZNP-XJKSGUPXSA-N -1 3 297.402 3.123 20 0 CGADHM Cc1ccc(C)c(C(=O)CCC(=O)[N-]OC/C=C/Cl)c1 ZINC000291883486 198094857 /nfs/dbraw/zinc/09/48/57/198094857.db2.gz QOJWNKIJQAACBV-FPYGCLRLSA-N -1 3 295.766 3.067 20 0 CGADHM O=C(CCCc1ccccc1)[N-]OC/C(Cl)=C\Cl ZINC000124194288 187126253 /nfs/dbraw/zinc/12/62/53/187126253.db2.gz IVQXNTVPYUATJC-FMIVXFBMSA-N -1 3 288.174 3.376 20 0 CGADHM CS[C@H](C)CC(=O)Nc1cc(Cl)ccc1[O-] ZINC000123975588 187116927 /nfs/dbraw/zinc/11/69/27/187116927.db2.gz ZLRWHLBGQFXWBG-SSDOTTSWSA-N -1 3 259.758 3.126 20 0 CGADHM CCN(C(=O)c1cc(C)ccc1[O-])c1nc(C)cs1 ZINC000152854526 188048533 /nfs/dbraw/zinc/04/85/33/188048533.db2.gz JCFZRBXVOMRSJM-UHFFFAOYSA-N -1 3 276.361 3.132 20 0 CGADHM Cc1nnc([N-]C(=O)c2sc(C)nc2CC(C)C)s1 ZINC000152989950 188058085 /nfs/dbraw/zinc/05/80/85/188058085.db2.gz NVDUOSYEIOQCGS-UHFFFAOYSA-N -1 3 296.421 3.062 20 0 CGADHM Cc1ccc(NC(=O)[N-]OCC2CC2)cc1Cl ZINC000292379791 198266161 /nfs/dbraw/zinc/26/61/61/198266161.db2.gz UGKIACWPRFNYKW-UHFFFAOYSA-N -1 3 254.717 3.112 20 0 CGADHM O=C(NCc1ccc([O-])c(F)c1)NC1CCCCCC1 ZINC000155041407 188178368 /nfs/dbraw/zinc/17/83/68/188178368.db2.gz SFOZCJIPCNRIOM-UHFFFAOYSA-N -1 3 280.343 3.053 20 0 CGADHM Cc1ccc(Cl)cc1NC([O-])=NO[C@@H]1CCCCO1 ZINC000155539832 188212629 /nfs/dbraw/zinc/21/26/29/188212629.db2.gz VVAPUUQZNSXZSH-GFCCVEGCSA-N -1 3 284.743 3.228 20 0 CGADHM Cc1ccc(Cl)cc1NC(=O)[N-]O[C@@H]1CCCCO1 ZINC000155539832 188212631 /nfs/dbraw/zinc/21/26/31/188212631.db2.gz VVAPUUQZNSXZSH-GFCCVEGCSA-N -1 3 284.743 3.228 20 0 CGADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1cccc2c1CCCC2 ZINC000155500796 188210265 /nfs/dbraw/zinc/21/02/65/188210265.db2.gz DSTYGZCQUXKBIC-OAHLLOKOSA-N -1 3 290.363 3.145 20 0 CGADHM O=C([N-]O[C@@H]1CCCCO1)Nc1cccc2c1CCCC2 ZINC000155500796 188210266 /nfs/dbraw/zinc/21/02/66/188210266.db2.gz DSTYGZCQUXKBIC-OAHLLOKOSA-N -1 3 290.363 3.145 20 0 CGADHM Cc1ccc(S[C@H](C)c2nc(C)cc(=O)[n-]2)nc1 ZINC000155936786 188236329 /nfs/dbraw/zinc/23/63/29/188236329.db2.gz KACHCJAFXXBOKD-SNVBAGLBSA-N -1 3 261.350 3.047 20 0 CGADHM CC(C)CON=C([O-])Nc1cc(Cl)ccc1F ZINC000158473420 188378148 /nfs/dbraw/zinc/37/81/48/188378148.db2.gz YFZJJBAJDVYZGL-UHFFFAOYSA-N -1 3 260.696 3.188 20 0 CGADHM CC(C)CO[N-]C(=O)Nc1cc(Cl)ccc1F ZINC000158473420 188378149 /nfs/dbraw/zinc/37/81/49/188378149.db2.gz YFZJJBAJDVYZGL-UHFFFAOYSA-N -1 3 260.696 3.188 20 0 CGADHM O=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)c1cccc([O-])c1 ZINC000158636722 188385988 /nfs/dbraw/zinc/38/59/88/188385988.db2.gz PTAFVYNFGMEUKR-NVXWUHKLSA-N -1 3 297.354 3.042 20 0 CGADHM COc1ccccc1C[C@H](C)CC(=O)[N-]OC1CCCC1 ZINC000271847744 191364066 /nfs/dbraw/zinc/36/40/66/191364066.db2.gz ZJJIOZMPZLPHHE-ZDUSSCGKSA-N -1 3 291.391 3.254 20 0 CGADHM Cc1nc2cc(NC([O-])=NOC3CCCC3)ccc2o1 ZINC000271847478 191364659 /nfs/dbraw/zinc/36/46/59/191364659.db2.gz QTBJIEOHCUBWIR-UHFFFAOYSA-N -1 3 275.308 3.132 20 0 CGADHM Cc1nc2cc(NC(=O)[N-]OC3CCCC3)ccc2o1 ZINC000271847478 191364662 /nfs/dbraw/zinc/36/46/62/191364662.db2.gz QTBJIEOHCUBWIR-UHFFFAOYSA-N -1 3 275.308 3.132 20 0 CGADHM COCc1cc(C(=O)[N-]c2ccc(C)cc2SC)no1 ZINC000413900703 235317258 /nfs/dbraw/zinc/31/72/58/235317258.db2.gz KGVQDDRBBIXCGR-UHFFFAOYSA-N -1 3 292.360 3.104 20 0 CGADHM CCCn1c(=O)[n-]nc1SCc1csc(C2CC2)n1 ZINC000124830283 138377974 /nfs/dbraw/zinc/37/79/74/138377974.db2.gz QXBWRTLWYFJVDS-UHFFFAOYSA-N -1 3 296.421 3.020 20 0 CGADHM CS[C@H](C)CC(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000124849904 138378067 /nfs/dbraw/zinc/37/80/67/138378067.db2.gz LSWUWOOFMPTNOA-MRVPVSSYSA-N -1 3 273.785 3.434 20 0 CGADHM CC[C@@H](C(=O)Nc1ncccc1[O-])c1ccc(F)cc1 ZINC000128921647 138395257 /nfs/dbraw/zinc/39/52/57/138395257.db2.gz NLBGQALHUFIGLF-GFCCVEGCSA-N -1 3 274.295 3.059 20 0 CGADHM CC[C@H](C(=O)Nc1ncccc1[O-])c1ccc(F)cc1 ZINC000128921428 138395108 /nfs/dbraw/zinc/39/51/08/138395108.db2.gz NLBGQALHUFIGLF-LBPRGKRZSA-N -1 3 274.295 3.059 20 0 CGADHM Cc1cccc(C(=O)N(Cc2ccccn2)C(C)C)c1[O-] ZINC000537639415 288541268 /nfs/dbraw/zinc/54/12/68/288541268.db2.gz IZOVPSWCNHOGKD-UHFFFAOYSA-N -1 3 284.359 3.146 20 0 CGADHM O=C(c1cccc([O-])c1)N1CCC[C@@H]1c1cccs1 ZINC000192722685 138480603 /nfs/dbraw/zinc/48/06/03/138480603.db2.gz VOMZAIHRPNBKQI-CYBMUJFWSA-N -1 3 273.357 3.431 20 0 CGADHM [O-]c1cccc(CN[C@@H]2C[C@H]2C2CCC2)c1Cl ZINC000424194276 236131791 /nfs/dbraw/zinc/13/17/91/236131791.db2.gz LGQWRQRJAZJZMX-NWDGAFQWSA-N -1 3 251.757 3.324 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CC[C@@H](Nc3ccccc3)C2)c1 ZINC000336244956 213077775 /nfs/dbraw/zinc/07/77/75/213077775.db2.gz ZHPNOGAZTFWGMC-OAHLLOKOSA-N -1 3 296.370 3.027 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)[C@@]2(C)C[C@@H]2F)c1[O-] ZINC000424754685 236187463 /nfs/dbraw/zinc/18/74/63/236187463.db2.gz QOXGLLCXNRHCEF-CABZTGNLSA-N -1 3 257.692 3.041 20 0 CGADHM Cc1ccc(-c2nnc(NC(=O)[C@H]3CCCC[C@@H]3C)[n-]2)o1 ZINC000425201780 236220487 /nfs/dbraw/zinc/22/04/87/236220487.db2.gz OHMNDKGYGZNRPS-ONGXEEELSA-N -1 3 288.351 3.138 20 0 CGADHM Cc1ccc(-c2n[n-]c(NC(=O)[C@H]3CCCC[C@@H]3C)n2)o1 ZINC000425201780 236220489 /nfs/dbraw/zinc/22/04/89/236220489.db2.gz OHMNDKGYGZNRPS-ONGXEEELSA-N -1 3 288.351 3.138 20 0 CGADHM Cc1ccc(-c2nc(NC(=O)[C@H]3CCCC[C@@H]3C)n[n-]2)o1 ZINC000425201780 236220492 /nfs/dbraw/zinc/22/04/92/236220492.db2.gz OHMNDKGYGZNRPS-ONGXEEELSA-N -1 3 288.351 3.138 20 0 CGADHM O=C([O-])c1ccc(CNCc2coc3ccccc23)cc1 ZINC000426698821 236306878 /nfs/dbraw/zinc/30/68/78/236306878.db2.gz BXYFLWUQECBYOT-UHFFFAOYSA-N -1 3 281.311 3.421 20 0 CGADHM Cn1nc(-c2ccsc2)cc1NC(=O)c1cccc([O-])c1 ZINC000428056726 236359136 /nfs/dbraw/zinc/35/91/36/236359136.db2.gz BDENVXZEKUVPPI-UHFFFAOYSA-N -1 3 299.355 3.107 20 0 CGADHM [O-]c1ccc(F)c(CNC[C@H]2CCC(F)(F)C2)c1F ZINC000294683298 199133210 /nfs/dbraw/zinc/13/32/10/199133210.db2.gz MZKNCPMZLLQOCA-QMMMGPOBSA-N -1 3 277.261 3.195 20 0 CGADHM Cc1ccc(C(=O)N2CCc3c2cccc3F)c([O-])c1C ZINC000436625327 237144763 /nfs/dbraw/zinc/14/47/63/237144763.db2.gz NYBNJAZPOFAAHC-UHFFFAOYSA-N -1 3 285.318 3.351 20 0 CGADHM O=C(NCC1CC1)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436598082 237142268 /nfs/dbraw/zinc/14/22/68/237142268.db2.gz XWKKZGOONNZSGX-UHFFFAOYSA-N -1 3 295.382 3.317 20 0 CGADHM Cc1cccnc1C(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000436797479 237182528 /nfs/dbraw/zinc/18/25/28/237182528.db2.gz NWYFNWCOYREXLQ-UHFFFAOYSA-N -1 3 296.248 3.367 20 0 CGADHM O=C(NCC1CC(F)(F)C1)c1cc2c(cc1[O-])CCCC2 ZINC000436674740 237159571 /nfs/dbraw/zinc/15/95/71/237159571.db2.gz IXXZSAFAGDHBPR-UHFFFAOYSA-N -1 3 295.329 3.046 20 0 CGADHM Cc1cccnc1C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000436722964 237167890 /nfs/dbraw/zinc/16/78/90/237167890.db2.gz QXAUVACAFGBZQI-UHFFFAOYSA-N -1 3 296.248 3.367 20 0 CGADHM C[C@@H](NC(=O)c1ccccc1[O-])[C@H](C)c1ccccc1 ZINC000436728401 237170801 /nfs/dbraw/zinc/17/08/01/237170801.db2.gz LEOVJVMMTRPKMN-QWHCGFSZSA-N -1 3 269.344 3.314 20 0 CGADHM Cc1c(Cl)cncc1NC([O-])=NOC1CCCC1 ZINC000296884686 200025327 /nfs/dbraw/zinc/02/53/27/200025327.db2.gz GUMNWWDGNHSZEM-UHFFFAOYSA-N -1 3 269.732 3.039 20 0 CGADHM Cc1c(Cl)cncc1NC(=O)[N-]OC1CCCC1 ZINC000296884686 200025329 /nfs/dbraw/zinc/02/53/29/200025329.db2.gz GUMNWWDGNHSZEM-UHFFFAOYSA-N -1 3 269.732 3.039 20 0 CGADHM Cc1cccc(C)c1[C@@H](C)NC(=O)c1c([O-])cccc1O ZINC000436992892 237226132 /nfs/dbraw/zinc/22/61/32/237226132.db2.gz XLIRKZSFWHKQKY-GFCCVEGCSA-N -1 3 285.343 3.206 20 0 CGADHM Cc1ccc([O-])c(C(=O)N(CC2CCC2)C(C)C)c1 ZINC000436890915 237205217 /nfs/dbraw/zinc/20/52/17/237205217.db2.gz VXTDHSVICIHNLB-UHFFFAOYSA-N -1 3 261.365 3.351 20 0 CGADHM Cc1cc(C(=O)N[C@@H](C)c2ccc(F)c(F)c2)ccc1[O-] ZINC000436907881 237206794 /nfs/dbraw/zinc/20/67/94/237206794.db2.gz ZDOFEELWFOMHHR-JTQLQIEISA-N -1 3 291.297 3.470 20 0 CGADHM CC(C)O[N-]C(=O)c1c(Cl)cc(F)cc1Cl ZINC000297157698 200101184 /nfs/dbraw/zinc/10/11/84/200101184.db2.gz JNCSNRQLZFXVIP-UHFFFAOYSA-N -1 3 266.099 3.202 20 0 CGADHM Cc1c(NC([O-])=NOC(C)C)noc1-c1ccccc1F ZINC000297270457 200131396 /nfs/dbraw/zinc/13/13/96/200131396.db2.gz YTIRTGDLLQZCII-UHFFFAOYSA-N -1 3 293.298 3.251 20 0 CGADHM Cc1c(NC(=O)[N-]OC(C)C)noc1-c1ccccc1F ZINC000297270457 200131397 /nfs/dbraw/zinc/13/13/97/200131397.db2.gz YTIRTGDLLQZCII-UHFFFAOYSA-N -1 3 293.298 3.251 20 0 CGADHM CC(C)Oc1cccc(NC([O-])=NOC2CCCC2)c1 ZINC000297284404 200134481 /nfs/dbraw/zinc/13/44/81/200134481.db2.gz GHSWBNDEUOYVLQ-UHFFFAOYSA-N -1 3 278.352 3.470 20 0 CGADHM CC(C)Oc1cccc(NC(=O)[N-]OC2CCCC2)c1 ZINC000297284404 200134482 /nfs/dbraw/zinc/13/44/82/200134482.db2.gz GHSWBNDEUOYVLQ-UHFFFAOYSA-N -1 3 278.352 3.470 20 0 CGADHM CC[C@]1(C)Oc2ccc(NC(=O)[N-]OCC3CC3)cc2O1 ZINC000297687701 200261028 /nfs/dbraw/zinc/26/10/28/200261028.db2.gz GQZIVMAIILJQTA-OAHLLOKOSA-N -1 3 292.335 3.047 20 0 CGADHM O=C(c1cccc([O-])c1)N1CC=C(c2ccccc2F)C1 ZINC000335903930 212681735 /nfs/dbraw/zinc/68/17/35/212681735.db2.gz WVRQTRWRAXGCLN-UHFFFAOYSA-N -1 3 283.302 3.071 20 0 CGADHM C[C@@]1(C(=O)Nc2ncccc2[O-])CCCc2ccccc21 ZINC000341886791 216139876 /nfs/dbraw/zinc/13/98/76/216139876.db2.gz KPXKTJIJWLBAQT-QGZVFWFLSA-N -1 3 282.343 3.020 20 0 CGADHM O=C([N-]c1nnc(C(F)F)s1)c1ccc(F)c(F)c1 ZINC000336323084 213167637 /nfs/dbraw/zinc/16/76/37/213167637.db2.gz XXPZVVHAXWWVFE-UHFFFAOYSA-N -1 3 291.229 3.006 20 0 CGADHM c1cnc2ncnc([N-]c3nc4c(s3)CCCC4)c2c1 ZINC000178861863 189151062 /nfs/dbraw/zinc/15/10/62/189151062.db2.gz JFXGMBWFOKPMFR-UHFFFAOYSA-N -1 3 283.360 3.104 20 0 CGADHM Cc1ccc([O-])c(CN(C)[C@@H](C)c2ccccc2)n1 ZINC000119372511 370670803 /nfs/dbraw/zinc/67/08/03/370670803.db2.gz UJRCULLISONMJJ-ZDUSSCGKSA-N -1 3 256.349 3.289 20 0 CGADHM CCc1cc(=O)[n-]c(-c2ccc(NCC3(CC)CC3)nc2)n1 ZINC000301525413 201048260 /nfs/dbraw/zinc/04/82/60/201048260.db2.gz FUJZXOUGUOJRBN-UHFFFAOYSA-N -1 3 298.390 3.409 20 0 CGADHM C[C@H]1C[C@H](c2ccccc2)CN1C(=O)c1cccc([O-])c1 ZINC000182452828 189324213 /nfs/dbraw/zinc/32/42/13/189324213.db2.gz PISZQQFZOWEMGP-BBRMVZONSA-N -1 3 281.355 3.410 20 0 CGADHM C[C@@H](CNC(=O)c1cccc([O-])c1)Cc1cccs1 ZINC000182506186 189326239 /nfs/dbraw/zinc/32/62/39/189326239.db2.gz CXLVHKBHFLHQGI-LLVKDONJSA-N -1 3 275.373 3.062 20 0 CGADHM CCO[N-]C(=O)Nc1ccc2nc(C(C)C)sc2c1 ZINC000182960015 189341289 /nfs/dbraw/zinc/34/12/89/189341289.db2.gz RAYQEWMTLBXWLV-UHFFFAOYSA-N -1 3 279.365 3.493 20 0 CGADHM CCO[N-]C(=O)Nc1cc(F)ccc1SCC(F)F ZINC000182988897 189341899 /nfs/dbraw/zinc/34/18/99/189341899.db2.gz OPVLTGWUJLFQGK-UHFFFAOYSA-N -1 3 294.298 3.256 20 0 CGADHM CCCn1cc(C(=O)Nc2cc(Cl)cc(C)c2[O-])cn1 ZINC000183381545 189357494 /nfs/dbraw/zinc/35/74/94/189357494.db2.gz DNOYJQOBHCJDAC-UHFFFAOYSA-N -1 3 293.754 3.213 20 0 CGADHM Cc1ncsc1C[N-]c1nc(-c2ccc(C)cc2)no1 ZINC000302049860 201320412 /nfs/dbraw/zinc/32/04/12/201320412.db2.gz ONHSKEWUSRFSLT-UHFFFAOYSA-N -1 3 286.360 3.422 20 0 CGADHM CN(C(=O)c1csc(=O)[n-]1)[C@H]1CCC[C@H]1C(C)(C)C ZINC000335639702 212354521 /nfs/dbraw/zinc/35/45/21/212354521.db2.gz QMDLYUCNKYASBM-KOLCDFICSA-N -1 3 282.409 3.136 20 0 CGADHM [O-]c1ccc(F)c(CN[C@@H]2COCc3ccccc32)c1F ZINC000335635036 212350589 /nfs/dbraw/zinc/35/05/89/212350589.db2.gz ILDFHYXIGSECIY-CQSZACIVSA-N -1 3 291.297 3.032 20 0 CGADHM CCCn1c(=O)[n-]nc1SC[C@@H]1CCCCC1(F)F ZINC000450678771 240032123 /nfs/dbraw/zinc/03/21/23/240032123.db2.gz UNWIHOQAGSUHQT-VIFPVBQESA-N -1 3 291.367 3.311 20 0 CGADHM Cc1cccc(C(=O)N2C[C@@H](C(C)C)[C@H]2C(C)C)c1[O-] ZINC000456292104 241394097 /nfs/dbraw/zinc/39/40/97/241394097.db2.gz OMRUWYKSAYAAAM-LSDHHAIUSA-N -1 3 275.392 3.453 20 0 CGADHM Cc1ccc([O-])c(C(=O)NC2(c3cccc(F)c3)CC2)c1 ZINC000537659153 376191603 /nfs/dbraw/zinc/19/16/03/376191603.db2.gz OXJSILDQDVTCNC-UHFFFAOYSA-N -1 3 285.318 3.259 20 0 CGADHM CCOc1cc(CN(C)CC(F)F)cc(Cl)c1[O-] ZINC000459327089 242073874 /nfs/dbraw/zinc/07/38/74/242073874.db2.gz OCMVVUKXVJKZSY-UHFFFAOYSA-N -1 3 279.714 3.141 20 0 CGADHM CC(C)(C)C1CN(Cc2c(F)ccc([O-])c2F)C1 ZINC000459649412 242163114 /nfs/dbraw/zinc/16/31/14/242163114.db2.gz VSWQYIWYHGFOSH-UHFFFAOYSA-N -1 3 255.308 3.148 20 0 CGADHM C[C@H]1[C@H](C(=O)Nc2cc(C(F)(F)F)ccc2[O-])C1(F)F ZINC000461456425 242307103 /nfs/dbraw/zinc/30/71/03/242307103.db2.gz MYGPIRXVVZMBLY-SSDLBLMSSA-N -1 3 295.207 3.251 20 0 CGADHM CC(C)C[C@@H](C)C(=O)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000463196687 242388922 /nfs/dbraw/zinc/38/89/22/242388922.db2.gz LXBKPTSFVLIKMD-GFCCVEGCSA-N -1 3 271.364 3.119 20 0 CGADHM C[C@@H]1CC[C@@H](CNCc2c(F)ccc([O-])c2F)C1 ZINC000353269788 220001605 /nfs/dbraw/zinc/00/16/05/220001605.db2.gz VRBZIIRGPFCWEK-NXEZZACHSA-N -1 3 255.308 3.196 20 0 CGADHM Cc1cccc([O-])c1NC(=O)Cc1ccc2c(c1)CCCO2 ZINC000335493306 212170005 /nfs/dbraw/zinc/17/00/05/212170005.db2.gz GGNHQXOQWNURPF-UHFFFAOYSA-N -1 3 297.354 3.207 20 0 CGADHM O=C([N-]c1nnc(C2CC2)s1)c1c(F)cccc1Cl ZINC000003261933 368498528 /nfs/dbraw/zinc/49/85/28/368498528.db2.gz DPYBYCRBDPWNLY-UHFFFAOYSA-N -1 3 297.742 3.460 20 0 CGADHM Cc1ccc([O-])c(C(=O)NCCc2ccc(Cl)cc2)c1 ZINC000017297415 368729975 /nfs/dbraw/zinc/72/99/75/368729975.db2.gz SVGNNPXHUQFXEL-UHFFFAOYSA-N -1 3 289.762 3.327 20 0 CGADHM Cc1ccc(OCC(=O)Nc2ccc(C)cc2[O-])cc1 ZINC000017409850 368733173 /nfs/dbraw/zinc/73/31/73/368733173.db2.gz IVHFYXCPPYDJHF-UHFFFAOYSA-N -1 3 271.316 3.027 20 0 CGADHM CCOc1cc(CNc2ccccn2)cc(Cl)c1[O-] ZINC000019777089 368765720 /nfs/dbraw/zinc/76/57/20/368765720.db2.gz SKEHWTAKQSOSGK-UHFFFAOYSA-N -1 3 278.739 3.451 20 0 CGADHM CC(=O)c1cccc(NC(=O)c2ccc(C)c([O-])c2)c1 ZINC000019430232 368753316 /nfs/dbraw/zinc/75/33/16/368753316.db2.gz NFHOXYCJWCHHDW-UHFFFAOYSA-N -1 3 269.300 3.156 20 0 CGADHM C[C@@H](NCc1nc(=O)c2sccc2[n-]1)c1cccs1 ZINC000035132872 369000694 /nfs/dbraw/zinc/00/06/94/369000694.db2.gz KJFRRDJMMJOSKM-MRVPVSSYSA-N -1 3 291.401 3.309 20 0 CGADHM O=C(/C=C/c1cccc(C(F)(F)F)c1)[N-]OCC(F)F ZINC000493497106 244175034 /nfs/dbraw/zinc/17/50/34/244175034.db2.gz PECYUSUKIYDEHW-SNAWJCMRSA-N -1 3 295.207 3.032 20 0 CGADHM O=C(/C=C\c1cncc([O-])c1)Nc1ccc2ccoc2c1 ZINC000493342603 244145296 /nfs/dbraw/zinc/14/52/96/244145296.db2.gz YLZYZJJKZATDDE-RJRFIUFISA-N -1 3 280.283 3.185 20 0 CGADHM CC(C)Oc1cccc(/C=C\C(=O)[N-]OC2CCC2)c1 ZINC000493363174 244148385 /nfs/dbraw/zinc/14/83/85/244148385.db2.gz YRSYMRIPDKZWIV-KTKRTIGZSA-N -1 3 275.348 3.087 20 0 CGADHM Cc1ccc(C)c(CN(C)C(=O)/C=C/c2cncc([O-])c2)c1 ZINC000493525990 244180078 /nfs/dbraw/zinc/18/00/78/244180078.db2.gz NTLFQWZEJJQNRK-VOTSOKGWSA-N -1 3 296.370 3.076 20 0 CGADHM O=C(/C=C\C1CC1)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000493757490 244226519 /nfs/dbraw/zinc/22/65/19/244226519.db2.gz OLWRKBVIUADKOH-UTCJRWHESA-N -1 3 287.237 3.196 20 0 CGADHM O=C(/C=C\c1cncc(F)c1)Nc1c([O-])cccc1Cl ZINC000493851270 244243688 /nfs/dbraw/zinc/24/36/88/244243688.db2.gz KCZQWYLQGYWIFZ-PLNGDYQASA-N -1 3 292.697 3.232 20 0 CGADHM O=C(Nc1ncccc1[O-])[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000044948974 369271940 /nfs/dbraw/zinc/27/19/40/369271940.db2.gz XQXXRVFHJAGAPA-IUCAKERBSA-N -1 3 288.269 3.094 20 0 CGADHM C[C@H]1C[C@H]1CNC(=O)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000495010025 244344866 /nfs/dbraw/zinc/34/48/66/244344866.db2.gz VUCPSHCEULRXLC-YUMQZZPRSA-N -1 3 295.795 3.177 20 0 CGADHM CO[C@@H](C(=O)Nc1ccc(C)cc1[O-])c1ccccc1 ZINC000048193466 369337473 /nfs/dbraw/zinc/33/74/73/369337473.db2.gz OPIIAEXPFBUMBR-OAHLLOKOSA-N -1 3 271.316 3.027 20 0 CGADHM C[C@H](c1cccc(F)c1)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000086809464 370022006 /nfs/dbraw/zinc/02/20/06/370022006.db2.gz HTKNKHFGHOQHRQ-CHWSQXEVSA-N -1 3 279.355 3.464 20 0 CGADHM Cc1ccc(NC(=O)CCSc2ccccn2)c([O-])c1 ZINC000088239521 370032890 /nfs/dbraw/zinc/03/28/90/370032890.db2.gz MJLIOOPPVKZGLJ-UHFFFAOYSA-N -1 3 288.372 3.217 20 0 CGADHM CC(C)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cccs2)C1 ZINC000507537000 244845438 /nfs/dbraw/zinc/84/54/38/244845438.db2.gz PWXDROVMJMSEFY-RYUDHWBXSA-N -1 3 287.450 3.241 20 0 CGADHM CCOc1ccc(CN[C@H](C(=O)[O-])c2ccc(C)cc2)cc1 ZINC000276967163 193516113 /nfs/dbraw/zinc/51/61/13/193516113.db2.gz GPZDMHYWOJZSKB-KRWDZBQOSA-N -1 3 299.370 3.309 20 0 CGADHM O=C([O-])CC[C@H]1CCCCN1Cc1cc(F)cc(F)c1 ZINC000097903994 370256343 /nfs/dbraw/zinc/25/63/43/370256343.db2.gz VJRUNFZNIPJEBD-CQSZACIVSA-N -1 3 283.318 3.184 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-]c2ccncc2C)cc1Cl ZINC000112496500 370428865 /nfs/dbraw/zinc/42/88/65/370428865.db2.gz CGJLWUCKQFEZGV-UHFFFAOYSA-N -1 3 296.779 3.153 20 0 CGADHM O=C(CC[C@H]1CCCCO1)Nc1cc(Cl)ccc1[O-] ZINC000111577654 370401624 /nfs/dbraw/zinc/40/16/24/370401624.db2.gz CYAGGEWVNLWUIJ-LLVKDONJSA-N -1 3 283.755 3.333 20 0 CGADHM CC(C)C[C@]1(CO)CCCN1Cc1cccc([O-])c1Cl ZINC000513150320 245066342 /nfs/dbraw/zinc/06/63/42/245066342.db2.gz PKEHMURMAAXXGO-INIZCTEOSA-N -1 3 297.826 3.419 20 0 CGADHM C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)c1ccccc1[O-] ZINC000115143548 370524575 /nfs/dbraw/zinc/52/45/75/370524575.db2.gz ZFIZRCKKIWATAF-UKRRQHHQSA-N -1 3 281.355 3.410 20 0 CGADHM C[C@@H](C(=O)NCc1ccc([O-])c(F)c1)c1ccsc1 ZINC000132800739 371203339 /nfs/dbraw/zinc/20/33/39/371203339.db2.gz FXNQPOBPSDNIOS-SECBINFHSA-N -1 3 279.336 3.013 20 0 CGADHM O=C(NCc1ccc([O-])c(F)c1)c1ccc(Cl)s1 ZINC000132866454 371207350 /nfs/dbraw/zinc/20/73/50/371207350.db2.gz GKHFOPOYEXLARH-UHFFFAOYSA-N -1 3 285.727 3.176 20 0 CGADHM O=C(NCc1ccc([O-])c(F)c1)c1ccc(F)cc1Cl ZINC000132857836 371207511 /nfs/dbraw/zinc/20/75/11/371207511.db2.gz VINDLGAALDABBD-UHFFFAOYSA-N -1 3 297.688 3.254 20 0 CGADHM O=C(NCc1ccc([O-])c(F)c1)c1nccc2ccccc21 ZINC000132897082 371209882 /nfs/dbraw/zinc/20/98/82/371209882.db2.gz VEVXEHGDIGRKDI-UHFFFAOYSA-N -1 3 296.301 3.010 20 0 CGADHM O=C(N[C@H]1CCO[C@H](c2ccccc2)C1)c1ccccc1[O-] ZINC000132938231 371213789 /nfs/dbraw/zinc/21/37/89/371213789.db2.gz SVHSSQWSDDSBIX-YOEHRIQHSA-N -1 3 297.354 3.042 20 0 CGADHM O=C(NCc1ccc([O-])c(F)c1)C1CCCCCC1 ZINC000133028294 371220634 /nfs/dbraw/zinc/22/06/34/371220634.db2.gz GVNACUXTMXWDEC-UHFFFAOYSA-N -1 3 265.328 3.118 20 0 CGADHM COc1ccc(C(=O)N2C[C@H](C)CCC[C@@H]2C)c([O-])c1 ZINC000134195889 371310979 /nfs/dbraw/zinc/31/09/79/371310979.db2.gz BXCINVJDELMVTH-NEPJUHHUSA-N -1 3 277.364 3.052 20 0 CGADHM CC[C@@H]1CCCCN1C(=O)Cc1ccc([O-])cc1Cl ZINC000136118818 371461286 /nfs/dbraw/zinc/46/12/86/371461286.db2.gz OVJKJDBMKCNQHK-GFCCVEGCSA-N -1 3 281.783 3.379 20 0 CGADHM C[C@@H]1CCC[C@H](NC(=O)Cc2ccc([O-])cc2Cl)C1 ZINC000136149600 371463353 /nfs/dbraw/zinc/46/33/53/371463353.db2.gz UHQLZGNAFKNVDK-PWSUYJOCSA-N -1 3 281.783 3.283 20 0 CGADHM O=C(Nc1cc2n(n1)CCCC2)c1cc(Cl)c(Cl)[n-]1 ZINC000286630699 371529954 /nfs/dbraw/zinc/52/99/54/371529954.db2.gz SEPXLAMHHFXYGB-UHFFFAOYSA-N -1 3 299.161 3.107 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2C[C@H](C)CCC[C@H]2C)c1 ZINC000150784416 371538416 /nfs/dbraw/zinc/53/84/16/371538416.db2.gz CIKXOOHBFKGPEM-CHWSQXEVSA-N -1 3 261.365 3.351 20 0 CGADHM CC(=O)CN(CC(C)C)C(=O)c1ccc(C(C)C)cc1[O-] ZINC000421905027 371704621 /nfs/dbraw/zinc/70/46/21/371704621.db2.gz KHMBVCRRCMVTDQ-UHFFFAOYSA-N -1 3 291.391 3.203 20 0 CGADHM CC[C@H](C)CNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000421909203 371707899 /nfs/dbraw/zinc/70/78/99/371707899.db2.gz GNGKLXPAQXJIBA-NSHDSACASA-N -1 3 267.344 3.016 20 0 CGADHM Cc1cc(O)ccc1NC(=O)Cc1ccc([O-])cc1Cl ZINC000152924931 371735622 /nfs/dbraw/zinc/73/56/22/371735622.db2.gz WFTPADDXBKYDHJ-UHFFFAOYSA-N -1 3 291.734 3.241 20 0 CGADHM C[C@H]1C[C@H]1CC(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000353345000 220037878 /nfs/dbraw/zinc/03/78/78/220037878.db2.gz JEXSCWQIBQTTPE-YUMQZZPRSA-N -1 3 273.254 3.396 20 0 CGADHM Cc1cc(NC(=O)NCc2ncccc2[O-])ccc1C1CC1 ZINC000344091568 217046432 /nfs/dbraw/zinc/04/64/32/217046432.db2.gz OAHWUTHRYFJKLK-UHFFFAOYSA-N -1 3 297.358 3.295 20 0 CGADHM Cc1ccc(CN[C@H](CC(=O)[O-])c2cccs2)s1 ZINC000037087769 541861405 /nfs/dbraw/zinc/86/14/05/541861405.db2.gz XRQVXPPTKABMCL-LLVKDONJSA-N -1 3 281.402 3.424 20 0 CGADHM CC(C)N(CCC(=O)[O-])Cc1ccc(Cl)s1 ZINC000037474347 541863916 /nfs/dbraw/zinc/86/39/16/541863916.db2.gz DGXRTSLEICURIF-UHFFFAOYSA-N -1 3 261.774 3.087 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)Sc2ccccc2F)n1 ZINC000155850772 371948061 /nfs/dbraw/zinc/94/80/61/371948061.db2.gz NVNMBZODAZJMBZ-SECBINFHSA-N -1 3 264.325 3.483 20 0 CGADHM CC1(C(=O)Nc2ccc([O-])cc2F)CCCCC1 ZINC000157503470 372024432 /nfs/dbraw/zinc/02/44/32/372024432.db2.gz APUKRNADJBDXTC-UHFFFAOYSA-N -1 3 251.301 3.440 20 0 CGADHM C[C@@H](c1nc(-c2ccc([O-])cc2)no1)C(C)(F)F ZINC000293139552 372310654 /nfs/dbraw/zinc/31/06/54/372310654.db2.gz JSYBWNMQKPBESC-ZETCQYMHSA-N -1 3 254.236 3.201 20 0 CGADHM CCC[C@H]([N-]c1nnc(C(F)F)o1)[C@@H](O)c1ccccc1 ZINC000293293595 372348582 /nfs/dbraw/zinc/34/85/82/372348582.db2.gz YMVVHBOIDHDIKT-QWRGUYRKSA-N -1 3 297.305 3.321 20 0 CGADHM C[C@H](NCc1cccc([O-])c1Cl)[C@H]1CCCCO1 ZINC000293323237 372354403 /nfs/dbraw/zinc/35/44/03/372354403.db2.gz RCSRAYUDXLAQKI-GXFFZTMASA-N -1 3 269.772 3.093 20 0 CGADHM CC(C)[C@@H]1C[C@H](NCc2cccc([O-])c2Cl)CCO1 ZINC000293334209 372357810 /nfs/dbraw/zinc/35/78/10/372357810.db2.gz RVAZSHCFTHIVON-OCCSQVGLSA-N -1 3 283.799 3.339 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)Nc1ccc(-c2cc[nH]n2)cc1 ZINC000293459251 372388229 /nfs/dbraw/zinc/38/82/29/372388229.db2.gz WPKCOVZNPCAUQG-LLVKDONJSA-N -1 3 288.351 3.176 20 0 CGADHM C[C@H](Cc1ccc(O)cc1)NCc1c(F)ccc([O-])c1F ZINC000293515030 372400361 /nfs/dbraw/zinc/40/03/61/372400361.db2.gz CMBBHXONVFUNKC-SNVBAGLBSA-N -1 3 293.313 3.097 20 0 CGADHM C/C(=C/C(=O)[N-]OCCC(F)(F)F)c1cccc(F)c1 ZINC000162598170 372406275 /nfs/dbraw/zinc/40/62/75/372406275.db2.gz NZERBOSPTDQLLL-CLFYSBASSA-N -1 3 291.244 3.229 20 0 CGADHM C/C(=C/C(=O)[N-]OCCC(F)(F)F)c1ccc(F)cc1 ZINC000162800336 372422146 /nfs/dbraw/zinc/42/21/46/372422146.db2.gz QVINAQUKORVFMM-HJWRWDBZSA-N -1 3 291.244 3.229 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)CCc1ccc2ccccc2n1 ZINC000293632297 372431564 /nfs/dbraw/zinc/43/15/64/372431564.db2.gz FNWOHBUQIWUTLX-CYBMUJFWSA-N -1 3 286.375 3.261 20 0 CGADHM COc1cccc(C(=O)N2CC3(CCC3)[C@H]2C(C)C)c1[O-] ZINC000293652321 372438904 /nfs/dbraw/zinc/43/89/04/372438904.db2.gz FCNZUPNNSPCTDQ-OAHLLOKOSA-N -1 3 289.375 3.052 20 0 CGADHM [O-]c1ccc(F)c(CN[C@H]2CCOC3(CCCC3)C2)c1F ZINC000293676553 372446170 /nfs/dbraw/zinc/44/61/70/372446170.db2.gz RBNCIYPSQLAXDK-NSHDSACASA-N -1 3 297.345 3.252 20 0 CGADHM [O-]c1ccc(F)c(CN2CCC[C@H]2c2ccncc2)c1F ZINC000294094578 372579161 /nfs/dbraw/zinc/57/91/61/372579161.db2.gz ZVOWDTMENVHCBV-AWEZNQCLSA-N -1 3 290.313 3.403 20 0 CGADHM COCc1ccccc1CNCc1cccc([O-])c1Cl ZINC000294151597 372596777 /nfs/dbraw/zinc/59/67/77/372596777.db2.gz OWUDVHCVIPFQOT-UHFFFAOYSA-N -1 3 291.778 3.482 20 0 CGADHM CC(C)[C@@H](NCc1cccc([O-])c1Cl)C1(CO)CCC1 ZINC000293980204 372544240 /nfs/dbraw/zinc/54/42/40/372544240.db2.gz RFXVVYPQHSSATI-OAHLLOKOSA-N -1 3 297.826 3.322 20 0 CGADHM CC1(C)CCC[C@@H]1CNC(=O)c1c[n-]c2ccccc2c1=O ZINC000294248565 372626127 /nfs/dbraw/zinc/62/61/27/372626127.db2.gz SQHBSAOHNRCRQC-GFCCVEGCSA-N -1 3 298.386 3.497 20 0 CGADHM CO[C@H](CNCc1c(F)ccc([O-])c1F)c1ccccc1 ZINC000294269054 372634824 /nfs/dbraw/zinc/63/48/24/372634824.db2.gz OJAMCCPMSZPDMJ-OAHLLOKOSA-N -1 3 293.313 3.148 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2ccc(C(C)C)nc2C)n1 ZINC000294310202 372646020 /nfs/dbraw/zinc/64/60/20/372646020.db2.gz QMOPTVUGLIPINP-UHFFFAOYSA-N -1 3 285.347 3.175 20 0 CGADHM C[C@@H]1[C@@H](C(=O)Nc2ccccc2[O-])[C@H]1c1ccccc1 ZINC000435580647 372778722 /nfs/dbraw/zinc/77/87/22/372778722.db2.gz UWIAQUFQYIDSPO-IUIKQTSFSA-N -1 3 267.328 3.380 20 0 CGADHM O=C(c1cc2c(cc1[O-])CCCC2)N1C[C@H]2CCC[C@@H]2C1 ZINC000436585687 296190116 /nfs/dbraw/zinc/19/01/16/296190116.db2.gz TXKMOBJJIBQCOF-HUUCEWRRSA-N -1 3 285.387 3.143 20 0 CGADHM O=C(c1ccc2c(c1[O-])CCCC2)N1CCC(CF)CC1 ZINC000295729782 372891275 /nfs/dbraw/zinc/89/12/75/372891275.db2.gz LLGOGCFRKHOQLA-UHFFFAOYSA-N -1 3 291.366 3.093 20 0 CGADHM O=C(CCCc1ccc([O-])c(F)c1)NCc1ccccc1 ZINC000344742486 217296401 /nfs/dbraw/zinc/29/64/01/217296401.db2.gz UJZUTOJQINPVIT-UHFFFAOYSA-N -1 3 287.334 3.170 20 0 CGADHM Cc1cc(C(=O)NC[C@H]2CCCCC2(F)F)ccc1[O-] ZINC000295954401 372970465 /nfs/dbraw/zinc/97/04/65/372970465.db2.gz GWPVRBDIZYZTMC-GFCCVEGCSA-N -1 3 283.318 3.256 20 0 CGADHM Cc1csc(CNC(=O)c2ccc([O-])c(C)c2)c1 ZINC000344728748 217292768 /nfs/dbraw/zinc/29/27/68/217292768.db2.gz WOPUXZOFFIHLMK-UHFFFAOYSA-N -1 3 261.346 3.001 20 0 CGADHM Cc1oc2ccccc2c1CCNC(=O)c1cccc([O-])c1 ZINC000344790299 217312470 /nfs/dbraw/zinc/31/24/70/217312470.db2.gz IIRCMZOAPQNRKJ-UHFFFAOYSA-N -1 3 295.338 3.419 20 0 CGADHM C/C=C(\C)C(=O)Nc1c(C)c(Br)ccc1[O-] ZINC000296090855 373019324 /nfs/dbraw/zinc/01/93/24/373019324.db2.gz PBLBHUKCVJBONM-QPJJXVBHSA-N -1 3 284.153 3.368 20 0 CGADHM CC(C)ON=C([O-])Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000296199796 373051125 /nfs/dbraw/zinc/05/11/25/373051125.db2.gz HWHZQFNNYKPJKG-UHFFFAOYSA-N -1 3 292.335 3.190 20 0 CGADHM CC(C)O[N-]C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000296199796 373051131 /nfs/dbraw/zinc/05/11/31/373051131.db2.gz HWHZQFNNYKPJKG-UHFFFAOYSA-N -1 3 292.335 3.190 20 0 CGADHM O=C(c1cccc2cc[nH]c21)N1CCCc2cccc([O-])c21 ZINC000172976179 373070868 /nfs/dbraw/zinc/07/08/68/373070868.db2.gz QSOBTKPLBJBWEH-UHFFFAOYSA-N -1 3 292.338 3.467 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])[C@@H]1COc2ccccc21 ZINC000175613183 373492159 /nfs/dbraw/zinc/49/21/59/373492159.db2.gz HFTRFYLQNYMQIN-LLVKDONJSA-N -1 3 289.718 3.160 20 0 CGADHM COc1ccc([C@@H]2CCN(C(=O)c3ccccc3[O-])C2)cc1 ZINC000299615844 373584082 /nfs/dbraw/zinc/58/40/82/373584082.db2.gz PVMCZNRQBBYQCV-CQSZACIVSA-N -1 3 297.354 3.031 20 0 CGADHM CCC1([N-]S(=O)(=O)c2cc(F)ccc2Cl)CCC1 ZINC000177539567 373690383 /nfs/dbraw/zinc/69/03/83/373690383.db2.gz YRIAIOBQLKKCMQ-UHFFFAOYSA-N -1 3 291.775 3.090 20 0 CGADHM CCc1cc(=O)[n-]c(-c2ccc(N(C)CC3CCC3)nc2)n1 ZINC000301233534 373702791 /nfs/dbraw/zinc/70/27/91/373702791.db2.gz GNDMXYAMRCMCIB-UHFFFAOYSA-N -1 3 298.390 3.043 20 0 CGADHM C[C@@H]1[C@@H](C)CCCN1C(=O)Cc1ccc([O-])cc1Cl ZINC000178433801 373778975 /nfs/dbraw/zinc/77/89/75/373778975.db2.gz BBVAPEBCXSEXRK-WDEREUQCSA-N -1 3 281.783 3.235 20 0 CGADHM CC(C)[C@H]1C[C@H](CNCc2c(F)ccc([O-])c2F)CCO1 ZINC000449495024 373789674 /nfs/dbraw/zinc/78/96/74/373789674.db2.gz NUGSYMPLJYRCSQ-IAQYHMDHSA-N -1 3 299.361 3.211 20 0 CGADHM Cc1ccc(CC(=O)Nc2c(C)cccc2[O-])cc1 ZINC000179564007 373888688 /nfs/dbraw/zinc/88/86/88/373888688.db2.gz JUDWJRBIIPMQIF-UHFFFAOYSA-N -1 3 255.317 3.190 20 0 CGADHM O=C(CCOc1ccccc1)Nc1ccc(Cl)cc1[O-] ZINC000179641189 373898695 /nfs/dbraw/zinc/89/86/95/373898695.db2.gz BQLMNNAOVPWHPZ-UHFFFAOYSA-N -1 3 291.734 3.453 20 0 CGADHM CC[C@@H]1C[C@H]1C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000449888432 373958922 /nfs/dbraw/zinc/95/89/22/373958922.db2.gz NOKZOPSWCVQLDD-PSASIEDQSA-N -1 3 253.729 3.339 20 0 CGADHM O=C(CCCC(=O)C1CC1)Nc1ccc(Cl)cc1[O-] ZINC000450221850 374006582 /nfs/dbraw/zinc/00/65/82/374006582.db2.gz WWCRGKNBFWZYQN-UHFFFAOYSA-N -1 3 281.739 3.134 20 0 CGADHM CCO[C@@H](C(=O)Nc1ccc([O-])cc1F)c1ccccc1 ZINC000180855944 374052339 /nfs/dbraw/zinc/05/23/39/374052339.db2.gz YKJLAJLIMVEEOV-OAHLLOKOSA-N -1 3 289.306 3.248 20 0 CGADHM CO[C@H](C)c1nsc(Sc2ccc([O-])cc2)n1 ZINC000305951081 374123482 /nfs/dbraw/zinc/12/34/82/374123482.db2.gz AEBXJIHRTRHEBA-SSDOTTSWSA-N -1 3 268.363 3.102 20 0 CGADHM CCOc1cc(C)ccc1NC(=O)c1cccc([O-])c1 ZINC000182138385 374224913 /nfs/dbraw/zinc/22/49/13/374224913.db2.gz IUZZKJBWJBEVLM-UHFFFAOYSA-N -1 3 271.316 3.352 20 0 CGADHM O=C(N[C@H](c1ccccc1)[C@H]1CCCO1)c1cccc([O-])c1 ZINC000182293845 374253287 /nfs/dbraw/zinc/25/32/87/374253287.db2.gz LCLPVIDCKSLDOR-IAGOWNOFSA-N -1 3 297.354 3.042 20 0 CGADHM O=C(c1cccc([O-])c1)N1CCc2c(Cl)cccc2C1 ZINC000182487652 374281124 /nfs/dbraw/zinc/28/11/24/374281124.db2.gz IDZBALYOTJAAOR-UHFFFAOYSA-N -1 3 287.746 3.244 20 0 CGADHM O=C(c1cccc([O-])c1)N1CC[C@@H](Cc2ccccc2)C1 ZINC000182499477 374281791 /nfs/dbraw/zinc/28/17/91/374281791.db2.gz CZNZAGJJHIJSOF-HNNXBMFYSA-N -1 3 281.355 3.097 20 0 CGADHM CCn1c(C)cc(C(=O)N2CCCc3cccc([O-])c32)c1C ZINC000182911021 374341594 /nfs/dbraw/zinc/34/15/94/374341594.db2.gz UWJIPSORURHCQS-UHFFFAOYSA-N -1 3 298.386 3.423 20 0 CGADHM CSCCCCNCc1cccc([O-])c1Cl ZINC000328238664 374363999 /nfs/dbraw/zinc/36/39/99/374363999.db2.gz QMAMTLXSMKJWDR-UHFFFAOYSA-N -1 3 259.802 3.278 20 0 CGADHM CC[C@H]1CCN(C(=O)c2ccc3c(c2[O-])CCCC3)C1 ZINC000183106099 374374172 /nfs/dbraw/zinc/37/41/72/374374172.db2.gz MIRSMSXEIFOKTP-LBPRGKRZSA-N -1 3 273.376 3.143 20 0 CGADHM CCc1ccc(C(=O)Nc2ccc(C)cc2[O-])c(C)n1 ZINC000183526841 374424053 /nfs/dbraw/zinc/42/40/53/374424053.db2.gz MEARKLAFVOBJPG-UHFFFAOYSA-N -1 3 270.332 3.219 20 0 CGADHM Cc1cccc(CC2CN(C(=O)c3cc(C)ccc3[O-])C2)c1 ZINC000085649516 541937008 /nfs/dbraw/zinc/93/70/08/541937008.db2.gz SLCGKONXVSGKSO-UHFFFAOYSA-N -1 3 295.382 3.324 20 0 CGADHM O=C([O-])[C@@H]1CN(CC2CCCCC2)Cc2ccccc21 ZINC000087612544 541944425 /nfs/dbraw/zinc/94/44/25/541944425.db2.gz ZPAHVHIUOMHPET-MRXNPFEDSA-N -1 3 273.376 3.251 20 0 CGADHM C[C@H](c1ccc(F)cc1F)N1CCC(C)(C(=O)[O-])CC1 ZINC000086776757 541940281 /nfs/dbraw/zinc/94/02/81/541940281.db2.gz BZMBVCKGJJEGRM-SNVBAGLBSA-N -1 3 283.318 3.213 20 0 CGADHM CC(C)(C)OCC(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000330412456 374460586 /nfs/dbraw/zinc/46/05/86/374460586.db2.gz VGDBQAFAOWYTRH-UHFFFAOYSA-N -1 3 279.380 3.443 20 0 CGADHM C[C@H](c1ccccc1F)S(=O)(=O)c1cccc([O-])c1 ZINC000183976154 374480389 /nfs/dbraw/zinc/48/03/89/374480389.db2.gz KAEAJXFVMDASJL-SNVBAGLBSA-N -1 3 280.320 3.066 20 0 CGADHM CCC(CC)CN1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000087616262 541944928 /nfs/dbraw/zinc/94/49/28/541944928.db2.gz KLEBXOPFCCDVLK-OAHLLOKOSA-N -1 3 261.365 3.107 20 0 CGADHM C[C@H](c1ccccc1F)[S@](=O)c1cccc([O-])c1 ZINC000184050693 374486361 /nfs/dbraw/zinc/48/63/61/374486361.db2.gz ZBNAMJJMXRQGNK-MGNBDDOMSA-N -1 3 264.321 3.400 20 0 CGADHM COc1cc(C)cc(-c2nc(-c3cccs3)no2)c1[O-] ZINC000184831649 374562244 /nfs/dbraw/zinc/56/22/44/374562244.db2.gz GMEDMXFWZPGIAW-UHFFFAOYSA-N -1 3 288.328 3.488 20 0 CGADHM C[C@H]1C[C@@H](c2cccnc2)N(C(=O)c2cccc([O-])c2)C1 ZINC000184763456 374556820 /nfs/dbraw/zinc/55/68/20/374556820.db2.gz YDLCDQBVWIFQKF-LRDDRELGSA-N -1 3 282.343 3.011 20 0 CGADHM C[C@@H](NC(=O)c1cc2c(cc1[O-])CCCC2)c1ccccn1 ZINC000332471568 374577391 /nfs/dbraw/zinc/57/73/91/374577391.db2.gz KHFDKAGZSBYMIL-GFCCVEGCSA-N -1 3 296.370 3.157 20 0 CGADHM CCOc1ccc(CNCc2cc([O-])cc(F)c2)cc1F ZINC000185523508 374680566 /nfs/dbraw/zinc/68/05/66/374680566.db2.gz JVLUVGOPSZVBOS-UHFFFAOYSA-N -1 3 293.313 3.359 20 0 CGADHM CC(C)c1ccc(C(=O)Nc2ccc([O-])cc2F)nc1 ZINC000334391294 374708239 /nfs/dbraw/zinc/70/82/39/374708239.db2.gz VDDPBPFZPHMKBH-UHFFFAOYSA-N -1 3 274.295 3.302 20 0 CGADHM Cc1onc(C2CC2)c1C(=O)[N-]c1c(F)cccc1F ZINC000334518066 374815325 /nfs/dbraw/zinc/81/53/25/374815325.db2.gz FXPKDLPMOVTKQC-UHFFFAOYSA-N -1 3 278.258 3.391 20 0 CGADHM [O-]c1cc(F)cc(CN2CCO[C@H](c3ccsc3)C2)c1 ZINC000186251639 374820371 /nfs/dbraw/zinc/82/03/71/374820371.db2.gz FLPSMSPJNOCHOI-HNNXBMFYSA-N -1 3 293.363 3.166 20 0 CGADHM CCC[C@H](NC(=O)c1ccc([O-])c(OC)c1)C1CCC1 ZINC000458334894 374769811 /nfs/dbraw/zinc/76/98/11/374769811.db2.gz PXWRHHRBIDTOHT-ZDUSSCGKSA-N -1 3 277.364 3.099 20 0 CGADHM O=C([N-]c1cc(Cl)cc(F)c1F)c1ccco1 ZINC000334607352 374901035 /nfs/dbraw/zinc/90/10/35/374901035.db2.gz ISPYOFDPCNIXFT-UHFFFAOYSA-N -1 3 257.623 3.464 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)N1CC[C@H](c2ccccc2)C1 ZINC000334729257 375011360 /nfs/dbraw/zinc/01/13/60/375011360.db2.gz ZQOFANRGQPOUFD-HNNXBMFYSA-N -1 3 299.345 3.090 20 0 CGADHM CCc1oc(C(=O)N=c2cc(-c3ccccc3)o[n-]2)cc1C ZINC000473609325 375056033 /nfs/dbraw/zinc/05/60/33/375056033.db2.gz OMCBHZCRWLJODE-UHFFFAOYSA-N -1 3 296.326 3.480 20 0 CGADHM C[C@H](CC(=O)N1CC[C@H](C)c2cccc([O-])c21)n1cccn1 ZINC000335107404 375136235 /nfs/dbraw/zinc/13/62/35/375136235.db2.gz DWIBNMGNYFHISP-QWHCGFSZSA-N -1 3 299.374 3.080 20 0 CGADHM COc1ccc(Cl)cc1C(=O)Nc1ccccc1[O-] ZINC000096589089 541992387 /nfs/dbraw/zinc/99/23/87/541992387.db2.gz BCGLXQWHTJBAIM-UHFFFAOYSA-N -1 3 277.707 3.307 20 0 CGADHM C/C=C(\CC)C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000188681828 375254025 /nfs/dbraw/zinc/25/40/25/375254025.db2.gz MZSNXVJTBGGMAL-UUILKARUSA-N -1 3 297.358 3.040 20 0 CGADHM COc1cccc2c(C(=O)Nc3c(C)cccc3F)[n-]nc21 ZINC000487223499 375208989 /nfs/dbraw/zinc/20/89/89/375208989.db2.gz SZZYMPDPVXPZJX-UHFFFAOYSA-N -1 3 299.305 3.271 20 0 CGADHM COc1cccc2c(C(=O)Nc3c(C)cccc3F)n[n-]c21 ZINC000487223499 375208995 /nfs/dbraw/zinc/20/89/95/375208995.db2.gz SZZYMPDPVXPZJX-UHFFFAOYSA-N -1 3 299.305 3.271 20 0 CGADHM CCc1c(C)sc2[n-]c(CC(F)(F)F)nc(=O)c12 ZINC000335236491 375254426 /nfs/dbraw/zinc/25/44/26/375254426.db2.gz UIDGEPAJRNVKDC-UHFFFAOYSA-N -1 3 276.283 3.373 20 0 CGADHM [O-]c1ccc(F)c(CN2CCC[C@@H]2[C@@H]2CCCOC2)c1F ZINC000335423471 375282054 /nfs/dbraw/zinc/28/20/54/375282054.db2.gz KLVZFINYECHJQT-BXUZGUMPSA-N -1 3 297.345 3.061 20 0 CGADHM Cc1ccc(NC(=O)c2n[n-]nc2-c2ccccc2)cc1F ZINC000188869085 375285311 /nfs/dbraw/zinc/28/53/11/375285311.db2.gz TVHNMCTWRNHMLI-UHFFFAOYSA-N -1 3 296.305 3.172 20 0 CGADHM COc1cccc(C(=O)N2CC[C@]3(CC[C@@H](C)C3)C2)c1[O-] ZINC000335289171 375259424 /nfs/dbraw/zinc/25/94/24/375259424.db2.gz FCCCBBYZGVROMM-PXAZEXFGSA-N -1 3 289.375 3.053 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)c2c[nH]nc2C(C)C)c1[O-] ZINC000189395744 375382461 /nfs/dbraw/zinc/38/24/61/375382461.db2.gz CUCSXQWFXSYOEJ-UHFFFAOYSA-N -1 3 293.754 3.453 20 0 CGADHM COc1ccc(F)cc1NC(=O)c1ccc([O-])c(C)c1 ZINC000335813694 375451888 /nfs/dbraw/zinc/45/18/88/375451888.db2.gz ADGYJTKYWOBTCN-UHFFFAOYSA-N -1 3 275.279 3.101 20 0 CGADHM Cc1noc(C(C)C)c1C(=O)Nc1cccc([O-])c1F ZINC000335970496 375581775 /nfs/dbraw/zinc/58/17/75/375581775.db2.gz WNAXRLCPWTUERH-UHFFFAOYSA-N -1 3 278.283 3.203 20 0 CGADHM NC(=O)[C@@H]1CCC[C@H](C(=O)Nc2cc(Cl)ccc2[O-])C1 ZINC000336044118 375643493 /nfs/dbraw/zinc/64/34/93/375643493.db2.gz KQUYLFSVYXKIIS-BDAKNGLRSA-N -1 3 296.754 3.326 20 0 CGADHM C[C@@H](c1cccc(Cl)c1)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000263140424 296232978 /nfs/dbraw/zinc/23/29/78/296232978.db2.gz DONOXJADPDGSFU-MDZLAQPJSA-N -1 3 281.783 3.444 20 0 CGADHM CC(C)c1cnc([N-]C(=O)c2ncc(F)cc2F)s1 ZINC000192354135 375738167 /nfs/dbraw/zinc/73/81/67/375738167.db2.gz WBRBSQHECGLVPG-UHFFFAOYSA-N -1 3 283.303 3.192 20 0 CGADHM CC(C)C[C@H]1CCN(C(=O)Cc2ccc([O-])cc2Cl)C1 ZINC000509113437 375771514 /nfs/dbraw/zinc/77/15/14/375771514.db2.gz SMUJPXNISADZMV-GFCCVEGCSA-N -1 3 295.810 3.483 20 0 CGADHM COc1cc(C(=O)N2CCCC[C@@H]2C(C)C)ccc1[O-] ZINC000336540061 375816576 /nfs/dbraw/zinc/81/65/76/375816576.db2.gz XXVTWTSDRRJOKZ-CYBMUJFWSA-N -1 3 277.364 3.052 20 0 CGADHM CC[C@H](N[C@@H](C)c1nc(C)cc(=O)[n-]1)c1nc(C)cs1 ZINC000192777422 375788032 /nfs/dbraw/zinc/78/80/32/375788032.db2.gz RXTJCLXJZYJYEX-QWRGUYRKSA-N -1 3 292.408 3.057 20 0 CGADHM C[C@@H]1CC[C@@H](C(=O)[O-])CN1CCc1c(F)cccc1Cl ZINC000520581850 375865316 /nfs/dbraw/zinc/86/53/16/375865316.db2.gz GNHYIVWSTDKHDL-GHMZBOCLSA-N -1 3 299.773 3.207 20 0 CGADHM C[C@@H](CNCc1cc(Cl)ccc1Cl)CC(=O)[O-] ZINC000336686121 375905116 /nfs/dbraw/zinc/90/51/16/375905116.db2.gz GDULDDOLKWGGFD-MRVPVSSYSA-N -1 3 276.163 3.194 20 0 CGADHM Cc1cccnc1C(F)(F)C(=O)[N-][C@H](C)c1cccs1 ZINC000195304143 376096207 /nfs/dbraw/zinc/09/62/07/376096207.db2.gz DGBYZYZSPPBHBF-SNVBAGLBSA-N -1 3 296.342 3.421 20 0 CGADHM CCCc1cc(=O)[n-]c(SCC[C@H]2CCCCN2C)n1 ZINC000195550165 376112342 /nfs/dbraw/zinc/11/23/42/376112342.db2.gz FBOAQOHYQONLPI-CYBMUJFWSA-N -1 3 295.452 3.101 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2ccnn2[C@H](C)C2CC2)c1 ZINC000535790883 376062710 /nfs/dbraw/zinc/06/27/10/376062710.db2.gz NEORQWCGINONOM-LLVKDONJSA-N -1 3 299.374 3.374 20 0 CGADHM CCc1cccc2c1N(C(=O)c1ccc(C)cc1[O-])CC2 ZINC000538740915 376267355 /nfs/dbraw/zinc/26/73/55/376267355.db2.gz HXPOVAWYYAMTQL-UHFFFAOYSA-N -1 3 281.355 3.466 20 0 CGADHM CCS[C@@H]1CCC[C@H]1NC(=O)c1cccc(C)c1[O-] ZINC000225705370 376322165 /nfs/dbraw/zinc/32/21/65/376322165.db2.gz JAWSPBULLZOQHR-CHWSQXEVSA-N -1 3 279.405 3.105 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)[C@@H](C)C2CCCCC2)o1 ZINC000540215211 376367342 /nfs/dbraw/zinc/36/73/42/376367342.db2.gz DTICESSVZQRKBU-OLZOCXBDSA-N -1 3 299.436 3.471 20 0 CGADHM CCc1ccccc1CNC(=O)c1ccc([O-])c(C)c1 ZINC000226998003 376377427 /nfs/dbraw/zinc/37/74/27/376377427.db2.gz GDLQDYVCAFDJPR-UHFFFAOYSA-N -1 3 269.344 3.193 20 0 CGADHM O=c1[n-]c(CNC2(C3CC3)CC2)nc2c3ccccc3oc21 ZINC000541596774 376464616 /nfs/dbraw/zinc/46/46/16/376464616.db2.gz KFMLMSQDFBUGOV-UHFFFAOYSA-N -1 3 295.342 3.114 20 0 CGADHM CC1=C(c2ccco2)CN(C(=O)c2cccc([O-])c2)CC1 ZINC000334278086 206301018 /nfs/dbraw/zinc/30/10/18/206301018.db2.gz UATGDKBXSHGYLG-UHFFFAOYSA-N -1 3 283.327 3.305 20 0 CGADHM C[C@H]1CC(NCc2cccc([O-])c2Cl)C[C@H](C)O1 ZINC000334283965 206308895 /nfs/dbraw/zinc/30/88/95/206308895.db2.gz VRNYQZNNZJKIKE-UWVGGRQHSA-N -1 3 269.772 3.091 20 0 CGADHM C[C@@H]1CCN(C(=O)c2ccc(O)cc2[O-])[C@@H]2CCCC[C@@H]12 ZINC000541888686 376490962 /nfs/dbraw/zinc/49/09/62/376490962.db2.gz UAUNXBKRPCHFCC-OSAQELSMSA-N -1 3 289.375 3.139 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])c1cccc2nccnc21 ZINC000542649726 376562646 /nfs/dbraw/zinc/56/26/46/376562646.db2.gz KXPYTNAJMIHQIG-UHFFFAOYSA-N -1 3 299.717 3.241 20 0 CGADHM CC[C@H]1CC[C@H](C)N1C(=O)c1cc([O-])ccc1Cl ZINC000234102639 376610563 /nfs/dbraw/zinc/61/05/63/376610563.db2.gz QAZXKAFTLOVEQX-UWVGGRQHSA-N -1 3 267.756 3.449 20 0 CGADHM CN(Cc1ccccc1F)C(=O)c1cc([O-])ccc1Cl ZINC000234315630 376615010 /nfs/dbraw/zinc/61/50/10/376615010.db2.gz PQJLZGOTUHVMBY-UHFFFAOYSA-N -1 3 293.725 3.457 20 0 CGADHM CN(Cc1cccc(F)c1)C(=O)c1cc([O-])ccc1Cl ZINC000234308808 376615067 /nfs/dbraw/zinc/61/50/67/376615067.db2.gz SWPAWIUBXKPXHK-UHFFFAOYSA-N -1 3 293.725 3.457 20 0 CGADHM COCc1cccc(NC(=O)c2cc([O-])ccc2Cl)c1 ZINC000234730910 376619532 /nfs/dbraw/zinc/61/95/32/376619532.db2.gz PNAZUBIGUDHFAA-UHFFFAOYSA-N -1 3 291.734 3.444 20 0 CGADHM COCc1ccccc1NC(=O)c1cc([O-])ccc1Cl ZINC000234746948 376619837 /nfs/dbraw/zinc/61/98/37/376619837.db2.gz NNWWYPVINUXOJU-UHFFFAOYSA-N -1 3 291.734 3.444 20 0 CGADHM CSCCCCCNC(=O)c1cc([O-])ccc1Cl ZINC000235118031 376632068 /nfs/dbraw/zinc/63/20/68/376632068.db2.gz RBCHXBZRXOKQMV-UHFFFAOYSA-N -1 3 287.812 3.309 20 0 CGADHM C[C@H]1CCCN(Cc2cc(Cl)ccc2F)[C@@H]1C(=O)[O-] ZINC000235662486 376645697 /nfs/dbraw/zinc/64/56/97/376645697.db2.gz SNPBVDUHMGSCCH-ZANVPECISA-N -1 3 285.746 3.164 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2nc(C(C)C)n3ccccc23)n1 ZINC000339114819 376686802 /nfs/dbraw/zinc/68/68/02/376686802.db2.gz HXDNFJNIPGXHMM-FPLPWBNLSA-N -1 3 294.358 3.432 20 0 CGADHM CCc1cccc(C(=O)NC(C)(C)c2ccc(C)nc2)c1[O-] ZINC000544822050 376762694 /nfs/dbraw/zinc/76/26/94/376762694.db2.gz ZFZNDJZVBWHLCH-UHFFFAOYSA-N -1 3 298.386 3.323 20 0 CGADHM CC(C)c1noc(-c2ccc3c(c2[O-])CCCC3)n1 ZINC000545561774 376831672 /nfs/dbraw/zinc/83/16/72/376831672.db2.gz YPUDUFMNLNBVRU-UHFFFAOYSA-N -1 3 258.321 3.444 20 0 CGADHM Cc1ccc([O-])c(NC(=O)Cc2coc3ccccc23)n1 ZINC000557040373 376917349 /nfs/dbraw/zinc/91/73/49/376917349.db2.gz LVRILJKLKURCMW-UHFFFAOYSA-N -1 3 282.299 3.023 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)CN2CCC(C)(C)C2)c1[O-] ZINC000557613672 376948454 /nfs/dbraw/zinc/94/84/54/376948454.db2.gz BXUHAXYUHAYCAC-UHFFFAOYSA-N -1 3 296.798 3.024 20 0 CGADHM CCCc1nc(C)c(C(=O)[N-]c2c(C)noc2C2CC2)o1 ZINC000560369549 377143708 /nfs/dbraw/zinc/14/37/08/377143708.db2.gz YRLMXICOZFYSOI-UHFFFAOYSA-N -1 3 289.335 3.362 20 0 CGADHM Cc1ccc(-c2cc(-c3nc(-c4ccco4)no3)n[n-]2)o1 ZINC000340661664 377196460 /nfs/dbraw/zinc/19/64/60/377196460.db2.gz WOTDMGOLSZIHSY-UHFFFAOYSA-N -1 3 282.259 3.288 20 0 CGADHM Cc1ccc(-c2cc(-c3nc(-c4ccco4)no3)[n-]n2)o1 ZINC000340661664 377196461 /nfs/dbraw/zinc/19/64/61/377196461.db2.gz WOTDMGOLSZIHSY-UHFFFAOYSA-N -1 3 282.259 3.288 20 0 CGADHM CCc1ccc([O-])c(C(=O)N[C@H](C)Cc2cccc(O)c2)c1 ZINC000560639484 377185073 /nfs/dbraw/zinc/18/50/73/377185073.db2.gz FSVUPEUULQRMMD-GFCCVEGCSA-N -1 3 299.370 3.021 20 0 CGADHM CCOCC(C)(C)CN=c1[n-]c(C(F)(F)F)cs1 ZINC000561701390 377240939 /nfs/dbraw/zinc/24/09/39/377240939.db2.gz JXHSSVKSRNFFIY-UHFFFAOYSA-N -1 3 282.331 3.058 20 0 CGADHM COc1cccc([C@H]2CCCN2Cc2ncccc2[O-])c1 ZINC000561945078 377254983 /nfs/dbraw/zinc/25/49/83/377254983.db2.gz JLRABNGPQUJWHE-MRXNPFEDSA-N -1 3 284.359 3.133 20 0 CGADHM CC[C@H]1Cc2ccccc2CN1Cc1occc1C(=O)[O-] ZINC000563284800 377437459 /nfs/dbraw/zinc/43/74/59/377437459.db2.gz WAIODMCFIYOQFT-AWEZNQCLSA-N -1 3 285.343 3.315 20 0 CGADHM COc1cccc(Cl)c1CN1CC[C@@H](C)C[C@H]1C(=O)[O-] ZINC000563289632 377437498 /nfs/dbraw/zinc/43/74/98/377437498.db2.gz MWSPGKAYGHZMFV-MFKMUULPSA-N -1 3 297.782 3.034 20 0 CGADHM O=C(Nc1c([O-])cccc1Cl)[C@H]1C[C@@H]1C1CC1 ZINC000563399771 377457313 /nfs/dbraw/zinc/45/73/13/377457313.db2.gz ZOGQSCIREDCIBT-BDAKNGLRSA-N -1 3 251.713 3.030 20 0 CGADHM Cc1ccc(C(=O)N[C@H](C)CC(=O)c2ccccc2)c([O-])c1 ZINC000092599986 249034193 /nfs/dbraw/zinc/03/41/93/249034193.db2.gz ZDNHZCMGRWGTBZ-CYBMUJFWSA-N -1 3 297.354 3.092 20 0 CGADHM Cc1ccc(-c2nc(-c3cc(C)cc(C)n3)no2)c([O-])c1 ZINC000313825239 249092963 /nfs/dbraw/zinc/09/29/63/249092963.db2.gz YHJOTWCTGROOMN-UHFFFAOYSA-N -1 3 281.315 3.429 20 0 CGADHM O=C(N[C@H]1CCCCC12CCCC2)c1ccc(O)cc1[O-] ZINC000314236731 249095304 /nfs/dbraw/zinc/09/53/04/249095304.db2.gz XPYSKAOYCBSRAC-HNNXBMFYSA-N -1 3 289.375 3.331 20 0 CGADHM CCC1(NCc2cccc([O-])c2Br)CC1 ZINC000315022645 249098455 /nfs/dbraw/zinc/09/84/55/249098455.db2.gz LTQZAEPMQMRPAU-UHFFFAOYSA-N -1 3 270.170 3.187 20 0 CGADHM C/C=C/c1ccc(N[C@H](C)C(=O)[N-]c2cc(C)no2)cc1 ZINC000487968749 249172206 /nfs/dbraw/zinc/17/22/06/249172206.db2.gz NTVFLJWIZMUYDH-ZYOFXKKJSA-N -1 3 285.347 3.455 20 0 CGADHM C[C@@H](c1ccccc1)N(C)C(=O)c1cccc([O-])c1 ZINC000176982075 542189644 /nfs/dbraw/zinc/18/96/44/542189644.db2.gz NTAYQRPFEQTTQN-LBPRGKRZSA-N -1 3 255.317 3.225 20 0 CGADHM CO[C@@H]1CCN(Cc2cc(C(=O)[O-])sc2C)CC1(C)C ZINC000515074026 249200157 /nfs/dbraw/zinc/20/01/57/249200157.db2.gz MURFOVSQCOYINO-CYBMUJFWSA-N -1 3 297.420 3.002 20 0 CGADHM CCc1nc([C@H](C)[N-]c2nc(C(C)C)no2)cs1 ZINC000265491134 190185637 /nfs/dbraw/zinc/18/56/37/190185637.db2.gz CCJQXPJVOCSNJS-QMMMGPOBSA-N -1 3 266.370 3.385 20 0 CGADHM Cc1noc(C)c1[C@H](C)C(=O)Nc1c(C)cccc1[O-] ZINC000179552611 542201045 /nfs/dbraw/zinc/20/10/45/542201045.db2.gz VCEREYYXOIJOKD-VIFPVBQESA-N -1 3 274.320 3.048 20 0 CGADHM Cc1cc(-c2nc(-c3ccc([O-])cc3)no2)oc1C ZINC000574009608 377607314 /nfs/dbraw/zinc/60/73/14/377607314.db2.gz PAFDGMPWTGQJSQ-UHFFFAOYSA-N -1 3 256.261 3.319 20 0 CGADHM C[C@@H]1CC(NC(=O)c2cc(=O)c3ccccc3[n-]2)C[C@@H](C)C1 ZINC000265768165 190205439 /nfs/dbraw/zinc/20/54/39/190205439.db2.gz CJWOVHCSNLAZSW-RYUDHWBXSA-N -1 3 298.386 3.495 20 0 CGADHM C[C@@H]1CCN(Cc2csc(C(=O)[O-])c2)CC1(C)C ZINC000574578603 377683683 /nfs/dbraw/zinc/68/36/83/377683683.db2.gz RFASWKQNSPEJNM-SNVBAGLBSA-N -1 3 267.394 3.314 20 0 CGADHM O=C(/C=C\c1ccc(Cl)nc1)Nc1cccc([O-])c1F ZINC000255585066 377768073 /nfs/dbraw/zinc/76/80/73/377768073.db2.gz YNICRGXIIHNVNW-ALCCZGGFSA-N -1 3 292.697 3.232 20 0 CGADHM O=C(/C=C\c1cc2ccccc2o1)[N-]OCc1cccnc1 ZINC000255615895 377770714 /nfs/dbraw/zinc/77/07/14/377770714.db2.gz ORINZDKPTJBDNF-FPLPWBNLSA-N -1 3 294.310 3.089 20 0 CGADHM C[C@H](CN1C[C@H](C(=O)[O-])CC[C@H]1C)c1cc(F)cc(F)c1 ZINC000263116365 377919761 /nfs/dbraw/zinc/91/97/61/377919761.db2.gz ZVRZWMSGBQLRFN-IJLUTSLNSA-N -1 3 297.345 3.253 20 0 CGADHM COc1ccc(CN2C[C@H](C(=O)[O-])CC[C@@H]2C)c(Cl)c1 ZINC000263350730 377927521 /nfs/dbraw/zinc/92/75/21/377927521.db2.gz PRSIAXNRMIKSJQ-CMPLNLGQSA-N -1 3 297.782 3.034 20 0 CGADHM COCCN(Cc1ccccc1)Cc1cccc(C(=O)[O-])c1 ZINC000263368259 377928963 /nfs/dbraw/zinc/92/89/63/377928963.db2.gz WYVDTNLQXBWQIQ-UHFFFAOYSA-N -1 3 299.370 3.033 20 0 CGADHM CCCc1ccc2nccc(N[C@H](C)C(=O)[O-])c2c1 ZINC000263393953 377930763 /nfs/dbraw/zinc/93/07/63/377930763.db2.gz HCDCKPVWJXTCLK-SNVBAGLBSA-N -1 3 258.321 3.072 20 0 CGADHM COc1cc2ccccc2cc1CN1CCC[C@@H](C(=O)[O-])C1 ZINC000263448479 377937791 /nfs/dbraw/zinc/93/77/91/377937791.db2.gz YTZFKBLRHDWKDI-OAHLLOKOSA-N -1 3 299.370 3.145 20 0 CGADHM COc1cc2ccccc2cc1CN1CCC[C@H](C(=O)[O-])C1 ZINC000263448477 377938075 /nfs/dbraw/zinc/93/80/75/377938075.db2.gz YTZFKBLRHDWKDI-HNNXBMFYSA-N -1 3 299.370 3.145 20 0 CGADHM CCn1c(=O)[n-]nc1SC[C@@H]1CCCc2ccccc21 ZINC000343277306 377945721 /nfs/dbraw/zinc/94/57/21/377945721.db2.gz VSIZQCHQHVYUPS-LBPRGKRZSA-N -1 3 289.404 3.216 20 0 CGADHM O=C(Nc1cccc([O-])c1F)C1(C(F)F)CCCC1 ZINC000575808451 377992525 /nfs/dbraw/zinc/99/25/25/377992525.db2.gz LGSDWSKQTNXCJL-UHFFFAOYSA-N -1 3 273.254 3.295 20 0 CGADHM CC1(C)CCCN([C@@H](C(=O)[O-])c2ccccc2F)C1 ZINC000578199046 378045263 /nfs/dbraw/zinc/04/52/63/378045263.db2.gz SNAAUQOSPXJDDA-CYBMUJFWSA-N -1 3 265.328 3.073 20 0 CGADHM CC[C@@H]1Cc2ccccc2CN1Cc1ncccc1[O-] ZINC000578263631 378053510 /nfs/dbraw/zinc/05/35/10/378053510.db2.gz NXPGPQUFEKJXKE-OAHLLOKOSA-N -1 3 268.360 3.124 20 0 CGADHM C[C@@H]1CC[C@H](C)N1Cc1ccc(C(=O)[O-])c(Cl)c1 ZINC000578329457 378058867 /nfs/dbraw/zinc/05/88/67/378058867.db2.gz DWHMWGLXJWDLJF-AOOOYVTPSA-N -1 3 267.756 3.411 20 0 CGADHM O=C([O-])c1cccc2c1CCN(CC1=CCCCC1)C2 ZINC000578339222 378059560 /nfs/dbraw/zinc/05/95/60/378059560.db2.gz AVEQPZYZCJSVBS-UHFFFAOYSA-N -1 3 271.360 3.243 20 0 CGADHM COc1ccc(Cl)c(CN2CC[C@@H](C)C[C@H]2C(=O)[O-])c1 ZINC000578369391 378063249 /nfs/dbraw/zinc/06/32/49/378063249.db2.gz IKVWMYKRMVAKCU-YGRLFVJLSA-N -1 3 297.782 3.034 20 0 CGADHM CCC1(CC)[C@H](N(C)Cc2ccoc2C(=O)[O-])C[C@@H]1OC ZINC000579016423 378122153 /nfs/dbraw/zinc/12/21/53/378122153.db2.gz SBNSHQKRNJWOQC-OLZOCXBDSA-N -1 3 295.379 3.003 20 0 CGADHM CC1(C)CC(CC(=O)Nc2cc(F)ccc2[O-])C1 ZINC000343889497 378125216 /nfs/dbraw/zinc/12/52/16/378125216.db2.gz RDIDNZJDQYLQCQ-UHFFFAOYSA-N -1 3 251.301 3.296 20 0 CGADHM CC(C)c1n[n-]c(=NC(C)(C)C)n1Cc1ccccc1 ZINC000578691273 378091511 /nfs/dbraw/zinc/09/15/11/378091511.db2.gz RKZCYQVCSIOLHS-UHFFFAOYSA-N -1 3 272.396 3.082 20 0 CGADHM CCS[C@@H]1CC[C@@H](N(C)Cc2occc2C(=O)[O-])C1 ZINC000578874708 378108740 /nfs/dbraw/zinc/10/87/40/378108740.db2.gz DDOIAQPBMPYIGM-GHMZBOCLSA-N -1 3 283.393 3.084 20 0 CGADHM COc1cccc2c(C(=O)Nc3ccc(C)cc3F)[n-]nc21 ZINC000345112040 378197589 /nfs/dbraw/zinc/19/75/89/378197589.db2.gz IPUZAJJJFSJILQ-UHFFFAOYSA-N -1 3 299.305 3.271 20 0 CGADHM COc1cccc2c(C(=O)Nc3ccc(C)cc3F)n[n-]c21 ZINC000345112040 378197595 /nfs/dbraw/zinc/19/75/95/378197595.db2.gz IPUZAJJJFSJILQ-UHFFFAOYSA-N -1 3 299.305 3.271 20 0 CGADHM Cc1cccc(F)c1[N-]C(=O)c1cc(-c2ccccn2)no1 ZINC000345366069 378268331 /nfs/dbraw/zinc/26/83/31/378268331.db2.gz YTDVOYCCZQTEBB-UHFFFAOYSA-N -1 3 297.289 3.436 20 0 CGADHM CC[C@H]1CCCC[C@H]1OCC(=O)Nc1ccc([O-])cc1F ZINC000345422828 378280790 /nfs/dbraw/zinc/28/07/90/378280790.db2.gz YSTWCJNMVOJIIF-XHDPSFHLSA-N -1 3 295.354 3.455 20 0 CGADHM Cc1oc([C@@H](C)N2CCCO[C@@H](C(C)C)C2)cc1C(=O)[O-] ZINC000580330330 378241859 /nfs/dbraw/zinc/24/18/59/378241859.db2.gz GPWGFCAGHQMQSG-IAQYHMDHSA-N -1 3 295.379 3.094 20 0 CGADHM CC1(C)CC(NC(=O)Cc2cncc([O-])c2)CC(C)(C)C1 ZINC000582191317 378291271 /nfs/dbraw/zinc/29/12/71/378291271.db2.gz UAFUGBBSPRFAPQ-UHFFFAOYSA-N -1 3 290.407 3.051 20 0 CGADHM CCc1[n-][nH]c(=NC(=O)c2c(C)oc3ccccc32)c1C ZINC000345287935 378244963 /nfs/dbraw/zinc/24/49/63/378244963.db2.gz HKXTYDMGRNPXCJ-UHFFFAOYSA-N -1 3 283.331 3.009 20 0 CGADHM CC(C)CO[N-]C(=O)Nc1ccc2scnc2c1 ZINC000269682740 378252402 /nfs/dbraw/zinc/25/24/02/378252402.db2.gz LRPYTPYDUPIYTM-UHFFFAOYSA-N -1 3 265.338 3.005 20 0 CGADHM CC(C)[C@H]1CN(Cc2csc(C(=O)[O-])c2)CCS1 ZINC000583504710 378326421 /nfs/dbraw/zinc/32/64/21/378326421.db2.gz BIDUQMWDXFGZNY-GFCCVEGCSA-N -1 3 285.434 3.020 20 0 CGADHM CC[C@@H]1C[C@H](C)CN1C(=O)c1c[n-]c2ccc(C)cc2c1=O ZINC000583744764 378342772 /nfs/dbraw/zinc/34/27/72/378342772.db2.gz XGBASEMKTGQFAI-QWHCGFSZSA-N -1 3 298.386 3.097 20 0 CGADHM c1nc(CSc2n[n-]c(-c3ccccn3)n2)oc1C1CC1 ZINC000270428274 378350142 /nfs/dbraw/zinc/35/01/42/378350142.db2.gz ARLABVFOXSRFIJ-UHFFFAOYSA-N -1 3 299.359 3.024 20 0 CGADHM Cc1[nH]nc(C(=O)Nc2cc(C(C)(C)C)ccc2[O-])c1C ZINC000270479890 378357987 /nfs/dbraw/zinc/35/79/87/378357987.db2.gz IGQNVTMVVGMGQN-UHFFFAOYSA-N -1 3 287.363 3.282 20 0 CGADHM C[C@@H]1CC[C@H](C)N1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000345735588 378358499 /nfs/dbraw/zinc/35/84/99/378358499.db2.gz CPXJYIKTWCONCL-TXEJJXNPSA-N -1 3 279.355 3.253 20 0 CGADHM Cc1ccc([O-])c(NC(=O)[C@H](C)Cc2ccccc2F)n1 ZINC000345919375 378408303 /nfs/dbraw/zinc/40/83/03/378408303.db2.gz BLBXHQPUMOKHJZ-SNVBAGLBSA-N -1 3 288.322 3.052 20 0 CGADHM Cc1ccc([O-])c(NC(=O)C[C@@H](C)CC(C)C)n1 ZINC000345920593 378408550 /nfs/dbraw/zinc/40/85/50/378408550.db2.gz CQDLKJHWFRRBEO-JTQLQIEISA-N -1 3 250.342 3.106 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2ccc(F)c(Cl)c2)n1 ZINC000345927756 378410823 /nfs/dbraw/zinc/41/08/23/378410823.db2.gz MZSTXLKMDBNPLW-UHFFFAOYSA-N -1 3 280.686 3.140 20 0 CGADHM CCc1cc(C(=O)Nc2nc(C)ccc2[O-])oc1CC ZINC000345997037 378434072 /nfs/dbraw/zinc/43/40/72/378434072.db2.gz SPFOZZSFABBCLA-UHFFFAOYSA-N -1 3 274.320 3.066 20 0 CGADHM CCCc1nc(C(=O)[N-]c2ncc(F)cc2Cl)co1 ZINC000637434310 378502163 /nfs/dbraw/zinc/50/21/63/378502163.db2.gz BUFAWPTWLRUILB-UHFFFAOYSA-N -1 3 283.690 3.067 20 0 CGADHM C[C@@H]([N-]C(=O)C(C)(Cl)Cl)c1c(F)cccc1F ZINC000271927862 378519637 /nfs/dbraw/zinc/51/96/37/378519637.db2.gz GZKXIZMPADHUNT-ZCFIWIBFSA-N -1 3 282.117 3.336 20 0 CGADHM COc1ccc2ccc(C(=O)Nc3ncccc3[O-])cc2c1 ZINC000346312153 378539804 /nfs/dbraw/zinc/53/98/04/378539804.db2.gz OPBLBOHTVFEDDJ-UHFFFAOYSA-N -1 3 294.310 3.201 20 0 CGADHM CC(C)c1coc([N-]C(=O)c2cc(Br)co2)n1 ZINC000637630246 378545101 /nfs/dbraw/zinc/54/51/01/378545101.db2.gz AUZRUTDGFXSBDL-UHFFFAOYSA-N -1 3 299.124 3.406 20 0 CGADHM CC(C)(C)n1cc(NCc2cc([O-])cc(F)c2)cn1 ZINC000185611708 542240173 /nfs/dbraw/zinc/24/01/73/542240173.db2.gz MYUYVUQWIJGJSX-UHFFFAOYSA-N -1 3 263.316 3.095 20 0 CGADHM CCC1(C(=O)Nc2cc(Cl)ccc2[O-])CCOCC1 ZINC000272325494 378612054 /nfs/dbraw/zinc/61/20/54/378612054.db2.gz LIGMRDZUFJQDJL-UHFFFAOYSA-N -1 3 283.755 3.191 20 0 CGADHM Cc1ccc(CN(C)C(=O)c2ccc([O-])c(C)c2)s1 ZINC000272374945 378623900 /nfs/dbraw/zinc/62/39/00/378623900.db2.gz DWOCQDUEEFXRAO-UHFFFAOYSA-N -1 3 275.373 3.343 20 0 CGADHM CCN(CCc1ccccc1)C(=O)c1ccc([O-])c(OC)c1 ZINC000272601235 378674746 /nfs/dbraw/zinc/67/47/46/378674746.db2.gz KYBKGCSXDAHIHW-UHFFFAOYSA-N -1 3 299.370 3.106 20 0 CGADHM COCC[C@@H](NCc1cc([O-])cc(F)c1)c1ccc(C)o1 ZINC000274437688 378832937 /nfs/dbraw/zinc/83/29/37/378832937.db2.gz OAXCUFQBNUTTOE-OAHLLOKOSA-N -1 3 293.338 3.300 20 0 CGADHM CC[C@@H](NCc1cnc(C)[n-]c1=O)c1ccc(C)cc1 ZINC000346801949 218019374 /nfs/dbraw/zinc/01/93/74/218019374.db2.gz SFJJQDCZGVCWCB-OAHLLOKOSA-N -1 3 271.364 3.040 20 0 CGADHM O=C([N-]OC1CCCC1)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000274303510 378807188 /nfs/dbraw/zinc/80/71/88/378807188.db2.gz OJWIDHTWBCLARS-MNOVXSKESA-N -1 3 299.292 3.198 20 0 CGADHM CC(C)C[C@H](NC(=O)c1csc(=O)[n-]1)c1ccccc1 ZINC000348942608 379119748 /nfs/dbraw/zinc/11/97/48/379119748.db2.gz UDQFDSCWADEMJR-LBPRGKRZSA-N -1 3 290.388 3.366 20 0 CGADHM O=C(NCCCOC1CCCC1)c1cc([O-])ccc1Cl ZINC000277714126 379222563 /nfs/dbraw/zinc/22/25/63/379222563.db2.gz PBLVJDUOJKXJQL-UHFFFAOYSA-N -1 3 297.782 3.125 20 0 CGADHM CCOc1cc(-c2noc([C@H]3CCCS3)n2)ccc1[O-] ZINC000277850748 379250840 /nfs/dbraw/zinc/25/08/40/379250840.db2.gz JLIYCKHFTIYVSI-GFCCVEGCSA-N -1 3 292.360 3.409 20 0 CGADHM Cc1cc(C(=O)N2CC[C@H](C(F)(F)F)[C@@H]2C)ccc1[O-] ZINC000336157619 291729264 /nfs/dbraw/zinc/72/92/64/291729264.db2.gz QCXDOUIKCBKJJS-ONGXEEELSA-N -1 3 287.281 3.114 20 0 CGADHM CCSCC[C@@H](C)N(C)C(=O)c1cc(C)ccc1[O-] ZINC000266608470 190270388 /nfs/dbraw/zinc/27/03/88/190270388.db2.gz BKZCSWCVOSOELM-GFCCVEGCSA-N -1 3 281.421 3.304 20 0 CGADHM [O-]c1cccc(CN(CCO)C2CCCCC2)c1Cl ZINC000350127586 379514302 /nfs/dbraw/zinc/51/43/02/379514302.db2.gz ZPBXEDYUBWTSGH-UHFFFAOYSA-N -1 3 283.799 3.173 20 0 CGADHM Cc1ccc(-c2nc(-c3cnc4ccccn43)no2)c([O-])c1 ZINC000350891106 379603801 /nfs/dbraw/zinc/60/38/01/379603801.db2.gz PEVQRLSYYNLBEF-UHFFFAOYSA-N -1 3 292.298 3.065 20 0 CGADHM COc1cc(C)c(C)cc1NC(=O)c1cc(C(F)F)[n-]n1 ZINC000640679679 379845567 /nfs/dbraw/zinc/84/55/67/379845567.db2.gz DDASCXGWVMUFTK-UHFFFAOYSA-N -1 3 295.289 3.225 20 0 CGADHM CCC1(CC)[C@@H](NCc2c(F)ccc([O-])c2F)C[C@@H]1OC ZINC000352690283 379908702 /nfs/dbraw/zinc/90/87/02/379908702.db2.gz VEMPQTLOXODPFS-KBPBESRZSA-N -1 3 299.361 3.354 20 0 CGADHM COc1cc(F)c([N-]C(=O)c2cc(C3CC3)no2)cc1F ZINC000282437207 379919843 /nfs/dbraw/zinc/91/98/43/379919843.db2.gz RSUBDUUUTGIJLZ-UHFFFAOYSA-N -1 3 294.257 3.091 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)[C@@H]2CC23CCC3)c1-c1cccc(F)c1 ZINC000640944423 379882150 /nfs/dbraw/zinc/88/21/50/379882150.db2.gz OPTMMKADQLHCTI-ZDUSSCGKSA-N -1 3 299.349 3.075 20 0 CGADHM Cc1cccc([O-])c1NC(=O)C(=O)c1ccc(Cl)cc1 ZINC000352646293 379888883 /nfs/dbraw/zinc/88/88/83/379888883.db2.gz LDZCCMAMRMZIGB-UHFFFAOYSA-N -1 3 289.718 3.175 20 0 CGADHM CCO[C@H](CCNCc1c(F)ccc([O-])c1F)C(C)C ZINC000352656646 379896220 /nfs/dbraw/zinc/89/62/20/379896220.db2.gz BUTNUPRMAYAFKM-CQSZACIVSA-N -1 3 287.350 3.211 20 0 CGADHM C[C@@H](CN(C)Cc1ccc(C(=O)[O-])o1)C(C)(C)C ZINC000399557114 379941061 /nfs/dbraw/zinc/94/10/61/379941061.db2.gz FGCSXKGLQHIPHC-JTQLQIEISA-N -1 3 253.342 3.092 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-]C2CCC(C)(C)CC2)c(F)c1 ZINC000404874897 379984740 /nfs/dbraw/zinc/98/47/40/379984740.db2.gz INQLGBAMTLIZAN-UHFFFAOYSA-N -1 3 299.411 3.381 20 0 CGADHM CC(C)(C)C[C@H](CC(=O)[O-])NCc1ccc(F)cc1F ZINC000283771245 380088863 /nfs/dbraw/zinc/08/88/63/380088863.db2.gz BXMNOARYJQIRSG-LBPRGKRZSA-N -1 3 285.334 3.334 20 0 CGADHM COc1cc(C(=O)NCCC2=CCCCC2)ccc1[O-] ZINC000268072461 190374637 /nfs/dbraw/zinc/37/46/37/190374637.db2.gz KNTXZYOUXWLHAE-UHFFFAOYSA-N -1 3 275.348 3.021 20 0 CGADHM COc1cc(C(=O)N2[C@H](C)C[C@H]3CCCC[C@@H]32)ccc1[O-] ZINC000268070871 190374738 /nfs/dbraw/zinc/37/47/38/190374738.db2.gz JUIJADSFEVWBFP-BZPMIXESSA-N -1 3 289.375 3.194 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)Sc2cccs2)n1 ZINC000268363320 190398125 /nfs/dbraw/zinc/39/81/25/190398125.db2.gz TVNNKMBLSXMBCF-QMMMGPOBSA-N -1 3 252.364 3.405 20 0 CGADHM Cc1ccc(COc2cc3occ([O-])c3c(C)c2)cc1 ZINC000642610176 380180917 /nfs/dbraw/zinc/18/09/17/380180917.db2.gz ZWHCZQRRILYRHG-UHFFFAOYSA-N -1 3 268.312 3.458 20 0 CGADHM COC1([C@H](C)NCc2cccc([O-])c2Cl)CCC1 ZINC000414520807 380293591 /nfs/dbraw/zinc/29/35/91/380293591.db2.gz DFUOVOKIIYRHLL-JTQLQIEISA-N -1 3 269.772 3.093 20 0 CGADHM C[C@H](C(=O)[O-])N(C)Cc1cc(Cl)ccc1OCC1CC1 ZINC000414680915 380371539 /nfs/dbraw/zinc/37/15/39/380371539.db2.gz LVNNNMQOMGROQI-SNVBAGLBSA-N -1 3 297.782 3.034 20 0 CGADHM CCc1ccc(-c2nc([C@H](N)CC(C)C)no2)c([O-])c1 ZINC000414625890 380343550 /nfs/dbraw/zinc/34/35/50/380343550.db2.gz XFJWBSMBSLVVBJ-GFCCVEGCSA-N -1 3 275.352 3.051 20 0 CGADHM O=C([O-])c1cccc(CN2CC[C@H]2Cc2ccccc2)c1 ZINC000414637423 380348891 /nfs/dbraw/zinc/34/88/91/380348891.db2.gz MJZOXLYRSABUMG-KRWDZBQOSA-N -1 3 281.355 3.202 20 0 CGADHM CCc1ccc([O-])c(C(=O)N(CC)Cc2ccncc2)c1 ZINC000354440044 380438959 /nfs/dbraw/zinc/43/89/59/380438959.db2.gz USTBFYCUVDNEOV-UHFFFAOYSA-N -1 3 284.359 3.012 20 0 CGADHM CSc1ccncc1[N-]C(=O)c1ncccc1Cl ZINC000644799903 380516613 /nfs/dbraw/zinc/51/66/13/380516613.db2.gz FMHDCEKOHWGFDC-UHFFFAOYSA-N -1 3 279.752 3.104 20 0 CGADHM Cc1ccc(CN[C@@H](CCC(=O)[O-])c2ccccc2)nc1 ZINC000417600414 380646752 /nfs/dbraw/zinc/64/67/52/380646752.db2.gz JIIGKWVKWUHBNO-INIZCTEOSA-N -1 3 284.359 3.086 20 0 CGADHM C[C@@H](NCc1cc(Cl)ccc1Cl)[C@H](C)C(=O)[O-] ZINC000417614531 380651983 /nfs/dbraw/zinc/65/19/83/380651983.db2.gz RZARJLOLFIZCOA-JGVFFNPUSA-N -1 3 276.163 3.192 20 0 CGADHM COc1cccc(Cl)c1CNC[C@@H](CC(C)C)C(=O)[O-] ZINC000417617051 380653014 /nfs/dbraw/zinc/65/30/14/380653014.db2.gz BLWBOHHIIFETIO-LLVKDONJSA-N -1 3 299.798 3.185 20 0 CGADHM O=C([O-])C[C@H](CNCc1ccc(Cl)cc1)C(F)(F)F ZINC000417634678 380659762 /nfs/dbraw/zinc/65/97/62/380659762.db2.gz VOIVKMXIADXVNH-SECBINFHSA-N -1 3 295.688 3.083 20 0 CGADHM CN(Cc1c(F)ccc([O-])c1F)C1CC(OC(C)(C)C)C1 ZINC000421379185 380920785 /nfs/dbraw/zinc/92/07/85/380920785.db2.gz WLZGBUACUQJIHN-UHFFFAOYSA-N -1 3 299.361 3.448 20 0 CGADHM CCN(Cc1ccccc1C)C(=O)c1cccc([O-])c1 ZINC000357197038 381065632 /nfs/dbraw/zinc/06/56/32/381065632.db2.gz ZVUGVKXRGMDAGX-UHFFFAOYSA-N -1 3 269.344 3.363 20 0 CGADHM Cc1ccc(NC(=O)c2cc(-c3ccco3)[n-]n2)c(C)c1O ZINC000348392368 218602306 /nfs/dbraw/zinc/60/23/06/218602306.db2.gz BRRHCCVAGHBXNS-UHFFFAOYSA-N -1 3 297.314 3.244 20 0 CGADHM Cc1ccc(NC(=O)c2cc(-c3ccco3)n[n-]2)c(C)c1O ZINC000348392368 218602308 /nfs/dbraw/zinc/60/23/08/218602308.db2.gz BRRHCCVAGHBXNS-UHFFFAOYSA-N -1 3 297.314 3.244 20 0 CGADHM CC(C)Oc1cccc(CNCc2cccc(C(=O)[O-])c2)c1 ZINC000213493387 542284773 /nfs/dbraw/zinc/28/47/73/542284773.db2.gz OZTPGMIVZQHHPU-UHFFFAOYSA-N -1 3 299.370 3.462 20 0 CGADHM C[C@@H]1CCN(C(=O)c2csc(=O)[n-]2)[C@H](c2ccco2)C1 ZINC000334851087 207184277 /nfs/dbraw/zinc/18/42/77/207184277.db2.gz MUWCZFJJJOWDAJ-KOLCDFICSA-N -1 3 292.360 3.055 20 0 CGADHM C[C@H]1C[C@@H](NCc2cccc([O-])c2Cl)CS1 ZINC000334855697 207194694 /nfs/dbraw/zinc/19/46/94/207194694.db2.gz ZZUZUCYIZGEDPV-WCBMZHEXSA-N -1 3 257.786 3.029 20 0 CGADHM C[C@@H]1CC[C@@]2(CCN(C(=O)c3ccccc3[O-])C2)C1 ZINC000360679790 381615296 /nfs/dbraw/zinc/61/52/96/381615296.db2.gz ICFFUYVJJXKPRO-MLGOLLRUSA-N -1 3 259.349 3.045 20 0 CGADHM CCOCc1nc(=O)c2cc(C(C)(C)C)sc2[n-]1 ZINC000361406559 381735646 /nfs/dbraw/zinc/73/56/46/381735646.db2.gz ABWASFSJOAKZPG-UHFFFAOYSA-N -1 3 266.366 3.231 20 0 CGADHM Cc1cc(C)c2c(c1)CN(Cc1nc(C)ccc1[O-])CC2 ZINC000362516225 382030581 /nfs/dbraw/zinc/03/05/81/382030581.db2.gz NSRVMHLHQADTIB-UHFFFAOYSA-N -1 3 282.387 3.271 20 0 CGADHM C[C@]1(c2ccc(F)cc2)CCN(C(=O)c2cccc([O-])c2)C1 ZINC000366836382 382319162 /nfs/dbraw/zinc/31/91/62/382319162.db2.gz XSJOFVBWZRBCAQ-SFHVURJKSA-N -1 3 299.345 3.335 20 0 CGADHM COc1ccccc1[C@@H](NCc1ccc(C)c(C)c1)C(=O)[O-] ZINC000426818650 532981369 /nfs/dbraw/zinc/98/13/69/532981369.db2.gz SJIOBWNGVBOHOG-QGZVFWFLSA-N -1 3 299.370 3.228 20 0 CGADHM Cc1ccc(NC(=O)c2ccnn2C2CCCC2)c([O-])c1 ZINC000335311174 208164776 /nfs/dbraw/zinc/16/47/76/208164776.db2.gz PMGGJDPYRYTIQP-UHFFFAOYSA-N -1 3 285.347 3.265 20 0 CGADHM O=C(N[C@H]1CCCSC1)c1cc([O-])c2ccccc2c1 ZINC000280357726 542381332 /nfs/dbraw/zinc/38/13/32/542381332.db2.gz KZCRQWISQJEBOK-ZDUSSCGKSA-N -1 3 287.384 3.171 20 0 CGADHM C[C@H](c1ccccc1Cl)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000302461807 572517457 /nfs/dbraw/zinc/51/74/57/572517457.db2.gz DXUWFZKYBWRVKA-UTUOFQBUSA-N -1 3 281.783 3.444 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCC[C@H](C(C)C)C2)o1 ZINC000540205000 288650786 /nfs/dbraw/zinc/65/07/86/288650786.db2.gz KRTOEUUTZFRNIR-STQMWFEESA-N -1 3 285.409 3.081 20 0 CGADHM [O-]c1coc2cc(OCc3ccn(C4CCCC4)n3)ccc12 ZINC000315304641 542437040 /nfs/dbraw/zinc/43/70/40/542437040.db2.gz RPDALPPHLRRECI-UHFFFAOYSA-N -1 3 298.342 3.152 20 0 CGADHM O=C(Nc1ccc([O-])cc1F)[C@H]1CC[C@H](C(F)(F)F)C1 ZINC000334435807 542456769 /nfs/dbraw/zinc/45/67/69/542456769.db2.gz PIQSTIAAFVEJBN-YUMQZZPRSA-N -1 3 291.244 3.448 20 0 CGADHM O=C(c1cc([O-])c2ccccc2c1)N1CCC12CCC2 ZINC000334603692 542458844 /nfs/dbraw/zinc/45/88/44/542458844.db2.gz SAWQASUUHWROQM-UHFFFAOYSA-N -1 3 267.328 3.314 20 0 CGADHM O=C(Nc1cccc([O-])c1F)[C@@H]1CC[C@H](C(F)(F)F)C1 ZINC000335413816 542468943 /nfs/dbraw/zinc/46/89/43/542468943.db2.gz HYZVWJKLSADYGD-SFYZADRCSA-N -1 3 291.244 3.448 20 0 CGADHM COC(=O)[C@H](C)SCc1ccc([O-])c2nc(C)ccc12 ZINC000427251012 533208879 /nfs/dbraw/zinc/20/88/79/533208879.db2.gz RGDSGOIFBZFAOD-JTQLQIEISA-N -1 3 291.372 3.044 20 0 CGADHM CCc1cc(=O)[n-]c(CN2C[C@H](C)C[C@@H]2c2ccccc2)n1 ZINC000353207378 542555536 /nfs/dbraw/zinc/55/55/36/542555536.db2.gz UNFRYRZCCBTIHG-CZUORRHYSA-N -1 3 297.402 3.328 20 0 CGADHM CC[C@@H](C)CCC(=O)Nc1ccc(OC)cc1[O-] ZINC000355000924 542564427 /nfs/dbraw/zinc/56/44/27/542564427.db2.gz LSZVQTAVCOSISB-SNVBAGLBSA-N -1 3 251.326 3.166 20 0 CGADHM [O-]c1c(-c2nc(-c3ccncc3)no2)ccc2c1CCCC2 ZINC000184863769 285379707 /nfs/dbraw/zinc/37/97/07/285379707.db2.gz CXGDXMMANONFBC-UHFFFAOYSA-N -1 3 293.326 3.383 20 0 CGADHM COc1ccc(C(=O)N2CCCC[C@H]2CC(C)C)c([O-])c1 ZINC000163034359 533294138 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20 0 CGADHM C[C@H]1CC2(CCC2)CN1Cc1c(F)ccc([O-])c1F ZINC000353208961 393215525 /nfs/dbraw/zinc/21/55/25/393215525.db2.gz XYJJKWPDLFDBBS-JTQLQIEISA-N -1 3 267.319 3.435 20 0 CGADHM C[C@H]1CCN(C(=O)c2ccc(F)nc2)c2c([O-])cccc21 ZINC000274427533 393284664 /nfs/dbraw/zinc/28/46/64/393284664.db2.gz ZTQDYKQLUMKTPQ-JTQLQIEISA-N -1 3 286.306 3.080 20 0 CGADHM CCc1ocnc1C(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000274383732 393284708 /nfs/dbraw/zinc/28/47/08/393284708.db2.gz NLFJINMQVFVFJH-SNVBAGLBSA-N -1 3 286.331 3.097 20 0 CGADHM Cc1ccc2nccc(NC(C)(C)CCC(=O)[O-])c2c1 ZINC000416425142 393311236 /nfs/dbraw/zinc/31/12/36/393311236.db2.gz CKPIAEBOHPRWAF-UHFFFAOYSA-N -1 3 272.348 3.020 20 0 CGADHM O=C(N[C@H](C1CCC1)C1CCCC1)c1cccc([O-])c1 ZINC000649006444 393316852 /nfs/dbraw/zinc/31/68/52/393316852.db2.gz LEOXYJKXGMLUQK-INIZCTEOSA-N -1 3 273.376 3.481 20 0 CGADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1C[C@H]2CCC[C@@H]2C1 ZINC000646903446 393328981 /nfs/dbraw/zinc/32/89/81/393328981.db2.gz OGDXBOXZQJKYOK-NXEZZACHSA-N -1 3 299.292 3.283 20 0 CGADHM CC(C)(C)Oc1ccc(CNC(=O)c2ccccc2[O-])cc1 ZINC000586735584 542769438 /nfs/dbraw/zinc/76/94/38/542769438.db2.gz UQUOEZAIEUXBIQ-UHFFFAOYSA-N -1 3 299.370 3.500 20 0 CGADHM [O-]c1c(-c2nc([C@H]3CCCN3)no2)ccc2ccccc21 ZINC000647147480 393351751 /nfs/dbraw/zinc/35/17/51/393351751.db2.gz SDDQEYNACMIQEM-CYBMUJFWSA-N -1 3 281.315 3.020 20 0 CGADHM O=C(c1cccc([O-])c1)N1CCCC[C@@H]1C1CCC1 ZINC000649198200 393371900 /nfs/dbraw/zinc/37/19/00/393371900.db2.gz FDDUKMVWWGLSSX-OAHLLOKOSA-N -1 3 259.349 3.187 20 0 CGADHM CC(C)SCc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000419411198 393375092 /nfs/dbraw/zinc/37/50/92/393375092.db2.gz HAHPPMHZJIJWSR-UHFFFAOYSA-N -1 3 260.362 3.491 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)c1cc(C)cc(C)c1 ZINC000649234269 393380580 /nfs/dbraw/zinc/38/05/80/393380580.db2.gz ZLDWASOWXLTBJO-UHFFFAOYSA-N -1 3 271.364 3.133 20 0 CGADHM Cc1ccc(CNC[C@H](CC2CC2)C(=O)[O-])c(Cl)c1 ZINC000649510403 393463230 /nfs/dbraw/zinc/46/32/30/393463230.db2.gz CCSIZBRLBIOMDD-ZDUSSCGKSA-N -1 3 281.783 3.239 20 0 CGADHM Cc1cccc([O-])c1NC(=O)c1cc2[nH]ccc2s1 ZINC000356591959 393494468 /nfs/dbraw/zinc/49/44/68/393494468.db2.gz GMUMRARQUBRPOT-UHFFFAOYSA-N -1 3 272.329 3.496 20 0 CGADHM CC1([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)CCC1 ZINC000429834262 393505661 /nfs/dbraw/zinc/50/56/61/393505661.db2.gz WFVZGXCFKYCOEW-UHFFFAOYSA-N -1 3 294.203 3.214 20 0 CGADHM COc1cc(C(=O)NCc2ccc(C3CC3)cc2)ccc1[O-] ZINC000360810883 393592295 /nfs/dbraw/zinc/59/22/95/393592295.db2.gz FHLDACNLCFQBEI-UHFFFAOYSA-N -1 3 297.354 3.208 20 0 CGADHM Cc1ccc(C)c(CN(C)Cc2nc(C)ccc2[O-])c1 ZINC000432908908 393657265 /nfs/dbraw/zinc/65/72/65/393657265.db2.gz AQGLSFUUFHFLMW-UHFFFAOYSA-N -1 3 270.376 3.344 20 0 CGADHM CC(C)c1ncc(CN(C)Cc2cc([O-])cc(F)c2)cn1 ZINC000443067179 393741372 /nfs/dbraw/zinc/74/13/72/393741372.db2.gz SUWNGWLDSNRZOH-UHFFFAOYSA-N -1 3 289.354 3.077 20 0 CGADHM O=C(N[C@H]1CCCCC12CCCC2)c1ccc2n[n-]nc2c1 ZINC000361209773 393702234 /nfs/dbraw/zinc/70/22/34/393702234.db2.gz HTOVLIZDGSIJCD-HNNXBMFYSA-N -1 3 298.390 3.191 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)/C=C\C2CCOCC2)c1[O-] ZINC000492286600 393714615 /nfs/dbraw/zinc/71/46/15/393714615.db2.gz JCCJJXPNBKJLFG-IHWYPQMZSA-N -1 3 295.766 3.275 20 0 CGADHM CC(C)[C@@H](CC(F)(F)F)NC(=O)c1cccc([O-])c1 ZINC000438594113 393726180 /nfs/dbraw/zinc/72/61/80/393726180.db2.gz XUFYNSIWIVKXGM-LLVKDONJSA-N -1 3 275.270 3.099 20 0 CGADHM O=C(Nc1ccc2ccoc2c1)c1c([O-])cccc1O ZINC000443676621 393770347 /nfs/dbraw/zinc/77/03/47/393770347.db2.gz WENFLYHIEICSRT-UHFFFAOYSA-N -1 3 269.256 3.096 20 0 CGADHM CCOc1cc(-c2noc(-c3occc3C)n2)ccc1[O-] ZINC000445428504 393792792 /nfs/dbraw/zinc/79/27/92/393792792.db2.gz VKTZBAWIGFNJML-UHFFFAOYSA-N -1 3 286.287 3.409 20 0 CGADHM CCc1ccc([O-])c(C(=O)N[C@H]2CCc3ccccc32)c1 ZINC000500733473 393837356 /nfs/dbraw/zinc/83/73/56/393837356.db2.gz QTIHIGMEWWIAJM-INIZCTEOSA-N -1 3 281.355 3.372 20 0 CGADHM CCSCCCc1noc(-c2ccccc2[O-])n1 ZINC000445754743 393820183 /nfs/dbraw/zinc/82/01/83/393820183.db2.gz BMVSCAJYVFAOOA-UHFFFAOYSA-N -1 3 264.350 3.128 20 0 CGADHM Cc1cc(C(=O)N2CCc3cccc(F)c32)ccc1[O-] ZINC000500367484 393825732 /nfs/dbraw/zinc/82/57/32/393825732.db2.gz YREJRFCYPHDQCV-UHFFFAOYSA-N -1 3 271.291 3.043 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N2CC[C@H](c3ccccc3C)C2)n1 ZINC000447855601 393866538 /nfs/dbraw/zinc/86/65/38/393866538.db2.gz SCXRFEDBTIFRCG-GJZGRUSLSA-N -1 3 297.402 3.350 20 0 CGADHM CC[C@@H](c1ccc(F)cc1F)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000449082590 393875017 /nfs/dbraw/zinc/87/50/17/393875017.db2.gz OKSIXTAJRKOWAG-DZGCQCFKSA-N -1 3 283.318 3.213 20 0 CGADHM COc1cc(C(=O)NCC(C(C)C)C(C)C)ccc1[O-] ZINC000446318944 393858226 /nfs/dbraw/zinc/85/82/26/393858226.db2.gz DMDWCAMFOPXUTD-UHFFFAOYSA-N -1 3 279.380 3.059 20 0 CGADHM Cc1ccc(F)c(CC(=O)N2CCCc3cccc([O-])c32)c1 ZINC000450512487 394009294 /nfs/dbraw/zinc/00/92/94/394009294.db2.gz QFIBFDMMOVNBRF-UHFFFAOYSA-N -1 3 299.345 3.362 20 0 CGADHM CC(C)CCc1noc(Cc2ccc([O-])c(F)c2)n1 ZINC000453029961 394148106 /nfs/dbraw/zinc/14/81/06/394148106.db2.gz WJLILFVKVQLSPG-UHFFFAOYSA-N -1 3 264.300 3.094 20 0 CGADHM CC(=O)c1ccc(C(=O)N(C2CC2)C2CCCC2)cc1[O-] ZINC000668221946 542992307 /nfs/dbraw/zinc/99/23/07/542992307.db2.gz QJGJQXMEUDVQHI-UHFFFAOYSA-N -1 3 287.359 3.142 20 0 CGADHM CC(=O)c1ccc(C(=O)N2CCC[C@@H]2C(C)(C)C)cc1[O-] ZINC000668263454 542999205 /nfs/dbraw/zinc/99/92/05/542999205.db2.gz SZPQRUSRCMBWGO-OAHLLOKOSA-N -1 3 289.375 3.246 20 0 CGADHM Cc1ccc(C(=O)N2CCC3(C2)CCCCC3)c([O-])c1 ZINC000174011382 292050754 /nfs/dbraw/zinc/05/07/54/292050754.db2.gz KECFIJGMBVWAKW-UHFFFAOYSA-N -1 3 273.376 3.497 20 0 CGADHM C[C@@H](NC(=O)c1c[n-]c2ccccc2c1=O)c1ccsc1 ZINC000669919460 543133436 /nfs/dbraw/zinc/13/34/36/543133436.db2.gz OMAFGLXICAEDJR-SNVBAGLBSA-N -1 3 298.367 3.081 20 0 CGADHM O=C(Nc1nc(-c2ccc[nH]2)cs1)c1cccc([O-])c1 ZINC000669958022 543137325 /nfs/dbraw/zinc/13/73/25/543137325.db2.gz LUNLRBRUXLTSAT-UHFFFAOYSA-N -1 3 285.328 3.096 20 0 CGADHM CC(C)(C)c1nsc([N-]C(=O)c2occ3c2CCC3)n1 ZINC000671695880 543178063 /nfs/dbraw/zinc/17/80/63/543178063.db2.gz HGOROPRCAPUTOW-UHFFFAOYSA-N -1 3 291.376 3.170 20 0 CGADHM CCn1nc(C)cc1C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000673910394 543258884 /nfs/dbraw/zinc/25/88/84/543258884.db2.gz CXWVPYSGBONFMM-UHFFFAOYSA-N -1 3 293.754 3.131 20 0 CGADHM Cc1cccc(S(=O)(=O)[N-]c2ccc(C)cc2F)c1 ZINC000047367606 397632307 /nfs/dbraw/zinc/63/23/07/397632307.db2.gz VPCVFPQTECMCSG-UHFFFAOYSA-N -1 3 279.336 3.243 20 0 CGADHM Cc1ccc(NC(=O)CNc2ccccc2Cl)c([O-])c1 ZINC000674264099 543278339 /nfs/dbraw/zinc/27/83/39/543278339.db2.gz GTAZWROOWAGLSI-UHFFFAOYSA-N -1 3 290.750 3.405 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N2CCc3ccccc3[C@H](C)C2)n1 ZINC000649836030 397735748 /nfs/dbraw/zinc/73/57/48/397735748.db2.gz YJZDZWVHEATDLN-OCCSQVGLSA-N -1 3 297.402 3.213 20 0 CGADHM O=c1cc(CNC2(C3CCC3)CC2)nc(-c2ccccc2)[n-]1 ZINC000649811049 397725924 /nfs/dbraw/zinc/72/59/24/397725924.db2.gz CYGLQPNJPUMCCD-UHFFFAOYSA-N -1 3 295.386 3.272 20 0 CGADHM Cc1ccsc1CN(C)Cc1nc(C)ccc1[O-] ZINC000349577403 397684851 /nfs/dbraw/zinc/68/48/51/397684851.db2.gz JNCQETFELBACPN-UHFFFAOYSA-N -1 3 262.378 3.098 20 0 CGADHM CCC(CC)(CC)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000675435951 543339479 /nfs/dbraw/zinc/33/94/79/543339479.db2.gz FLSALYXVVVXFPM-UHFFFAOYSA-N -1 3 287.367 3.022 20 0 CGADHM CCC(CC)(CC)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000675435951 543339481 /nfs/dbraw/zinc/33/94/81/543339481.db2.gz FLSALYXVVVXFPM-UHFFFAOYSA-N -1 3 287.367 3.022 20 0 CGADHM CCC(CC)(CC)C(=O)NCc1ccc([O-])c(F)c1 ZINC000675523303 543345614 /nfs/dbraw/zinc/34/56/14/543345614.db2.gz KZZNIDQXWFZENT-UHFFFAOYSA-N -1 3 267.344 3.364 20 0 CGADHM O=C(Cc1cc2ccccc2o1)NCc1ccc([O-])c(F)c1 ZINC000676216921 543387094 /nfs/dbraw/zinc/38/70/94/543387094.db2.gz FBIZIKGYGYIIQT-UHFFFAOYSA-N -1 3 299.301 3.136 20 0 CGADHM CC(C)C([N-]S(=O)(=O)c1ccc(Cl)s1)C(C)C ZINC000676237422 543388011 /nfs/dbraw/zinc/38/80/11/543388011.db2.gz VRCKKLMRCYQSPX-UHFFFAOYSA-N -1 3 295.857 3.360 20 0 CGADHM [O-]c1ccc(-c2noc([C@@H]3CCC(F)(F)C3)n2)cc1 ZINC000336373478 296590953 /nfs/dbraw/zinc/59/09/53/296590953.db2.gz OEUKMCIUTDDGPG-SECBINFHSA-N -1 3 266.247 3.345 20 0 CGADHM O=C(c1ccccc1[O-])N1CCC[C@H]1c1ccc(O)cc1 ZINC000678316214 543514166 /nfs/dbraw/zinc/51/41/66/543514166.db2.gz CVYSGFHWECXZKQ-HNNXBMFYSA-N -1 3 283.327 3.075 20 0 CGADHM CSc1ccncc1NC(=O)c1cccc(C)c1[O-] ZINC000678315391 543514556 /nfs/dbraw/zinc/51/45/56/543514556.db2.gz CUCSVSFZRVAHGG-UHFFFAOYSA-N -1 3 274.345 3.070 20 0 CGADHM Cc1cccc(C(=O)N2CCC[C@@]3(CCSC3)C2)c1[O-] ZINC000334753467 292415939 /nfs/dbraw/zinc/41/59/39/292415939.db2.gz RDBSVLASDPOCMB-MRXNPFEDSA-N -1 3 291.416 3.060 20 0 CGADHM COc1ccc(C(=O)N[C@@H](C)c2ccc(C)cc2)c([O-])c1 ZINC000042353646 286893661 /nfs/dbraw/zinc/89/36/61/286893661.db2.gz DWSXBWPFULOMQH-LBPRGKRZSA-N -1 3 285.343 3.200 20 0 CGADHM CCC1CCC(N(C)C(=O)c2ccc(OC)cc2[O-])CC1 ZINC000042355281 286893984 /nfs/dbraw/zinc/89/39/84/286893984.db2.gz GHFPXDASZWVKCN-UHFFFAOYSA-N -1 3 291.391 3.442 20 0 CGADHM COc1ccc(C(=O)N2CCC[C@@H](C(C)C)CC2)c([O-])c1 ZINC000071029116 286991778 /nfs/dbraw/zinc/99/17/78/286991778.db2.gz OZGQWMFNQNOGOE-CYBMUJFWSA-N -1 3 291.391 3.299 20 0 CGADHM C[C@@H]1CCC[C@H](C)N(C(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000074375388 287012509 /nfs/dbraw/zinc/01/25/09/287012509.db2.gz GYCACKYIDDEATQ-NEPJUHHUSA-N -1 3 294.370 3.251 20 0 CGADHM CCC[C@]1(C)CCCN(C(=O)c2ccc(OC)cc2[O-])C1 ZINC000075500633 287025363 /nfs/dbraw/zinc/02/53/63/287025363.db2.gz PTVKGTXKHXGTJM-QGZVFWFLSA-N -1 3 291.391 3.443 20 0 CGADHM Cc1ccc(C[C@@H](C)NC(=O)c2ccccc2[O-])s1 ZINC000080247484 287064109 /nfs/dbraw/zinc/06/41/09/287064109.db2.gz QQTQVFBXZKMUGS-SNVBAGLBSA-N -1 3 275.373 3.123 20 0 CGADHM Cc1ccc(NCc2nc(C(F)(F)F)cc(=O)[n-]2)c(C)c1 ZINC000090371001 165232552 /nfs/dbraw/zinc/23/25/52/165232552.db2.gz YQWXPPWYQONCAM-UHFFFAOYSA-N -1 3 297.280 3.018 20 0 CGADHM COc1ccc(C(=O)N2C[C@H](C)[C@@H]2c2ccccc2)c([O-])c1 ZINC000091984415 165277279 /nfs/dbraw/zinc/27/72/79/165277279.db2.gz FJQOBSPDTBUVLE-YVEFUNNKSA-N -1 3 297.354 3.234 20 0 CGADHM Cc1cnc([N-]C(=O)c2scnc2C(F)(F)F)s1 ZINC000096756817 165398191 /nfs/dbraw/zinc/39/81/91/165398191.db2.gz DEDHESOZUPODND-UHFFFAOYSA-N -1 3 293.295 3.179 20 0 CGADHM CCc1ccc([O-])c(C(=O)N(C)[C@@H](C)c2cccc(O)c2)c1 ZINC000092602209 287112821 /nfs/dbraw/zinc/11/28/21/287112821.db2.gz DAVVXXIZRHASNZ-LBPRGKRZSA-N -1 3 299.370 3.493 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CCC[C@@H]2c2ccncc2)c1 ZINC000093913239 287120601 /nfs/dbraw/zinc/12/06/01/287120601.db2.gz MIINTZZKIWHLJM-MRXNPFEDSA-N -1 3 296.370 3.327 20 0 CGADHM C[C@H]1CC(C(=O)NCc2ccc([O-])c(F)c2)C[C@@H](C)C1 ZINC000183907882 165725366 /nfs/dbraw/zinc/72/53/66/165725366.db2.gz QVFACBMCMFFOAK-QYJAPNMZSA-N -1 3 279.355 3.220 20 0 CGADHM COc1cccc(C(=O)N(C)[C@@H](C)c2ccccc2)c1[O-] ZINC000121084316 287192587 /nfs/dbraw/zinc/19/25/87/287192587.db2.gz CQGIXDYPFMANMK-LBPRGKRZSA-N -1 3 285.343 3.234 20 0 CGADHM CCCC(CCC)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000123075657 287215656 /nfs/dbraw/zinc/21/56/56/287215656.db2.gz VTEMATUAZHVXEE-UHFFFAOYSA-N -1 3 287.367 3.022 20 0 CGADHM CCCC(CCC)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000123075657 287215659 /nfs/dbraw/zinc/21/56/59/287215659.db2.gz VTEMATUAZHVXEE-UHFFFAOYSA-N -1 3 287.367 3.022 20 0 CGADHM Cc1ccc(NC(=O)CC2CCSCC2)c([O-])c1 ZINC000125390373 287243997 /nfs/dbraw/zinc/24/39/97/287243997.db2.gz WRWGMMUHIHZLMU-UHFFFAOYSA-N -1 3 265.378 3.172 20 0 CGADHM CSc1ccc(NC(=O)c2c([O-])cccc2O)cc1 ZINC000125607053 287247357 /nfs/dbraw/zinc/24/73/57/287247357.db2.gz MCKGLEUHWYLHOV-UHFFFAOYSA-N -1 3 275.329 3.072 20 0 CGADHM COc1cccc(C(=O)Nc2ccc(SC)cc2)c1[O-] ZINC000019838325 170886561 /nfs/dbraw/zinc/88/65/61/170886561.db2.gz NZLKXWCWMGLHQS-UHFFFAOYSA-N -1 3 289.356 3.375 20 0 CGADHM COc1cccc(C(=O)Nc2cccc3cccnc32)c1[O-] ZINC000020260152 171115795 /nfs/dbraw/zinc/11/57/95/171115795.db2.gz PYNMPSODXGBGHW-UHFFFAOYSA-N -1 3 294.310 3.201 20 0 CGADHM C[C@H](C(=O)Nc1ccccc1[O-])c1c(F)cccc1F ZINC000125923063 287253278 /nfs/dbraw/zinc/25/32/78/287253278.db2.gz BLNJQDFROGVIMY-VIFPVBQESA-N -1 3 277.270 3.413 20 0 CGADHM O=C(Nc1ccccc1[O-])c1ccc2cc[nH]c2c1 ZINC000033226564 171775038 /nfs/dbraw/zinc/77/50/38/171775038.db2.gz XPWOMQGNEJVXFP-UHFFFAOYSA-N -1 3 252.273 3.126 20 0 CGADHM Cc1ccc(C(=O)N2CCC[C@@H]3CCCC[C@H]32)c([O-])c1 ZINC000035219412 172060285 /nfs/dbraw/zinc/06/02/85/172060285.db2.gz LRMYHDFGMRDLGQ-DZGCQCFKSA-N -1 3 273.376 3.495 20 0 CGADHM O=C(Nc1cccc([O-])c1F)c1csc(C2CC2)n1 ZINC000128397094 287309919 /nfs/dbraw/zinc/30/99/19/287309919.db2.gz NPSKUTTUWBMECQ-UHFFFAOYSA-N -1 3 278.308 3.118 20 0 CGADHM O=C(Nc1cccc([O-])c1F)C1(c2ccc(F)cc2)CC1 ZINC000128545092 287313497 /nfs/dbraw/zinc/31/34/97/287313497.db2.gz PILUOIAYEIXYHO-UHFFFAOYSA-N -1 3 289.281 3.341 20 0 CGADHM O=C(CSc1ccccc1)Nc1cccc([O-])c1F ZINC000128985700 287322171 /nfs/dbraw/zinc/32/21/71/287322171.db2.gz PUEJWQPBVSZPNW-UHFFFAOYSA-N -1 3 277.320 3.262 20 0 CGADHM Cc1ccc([O-])c(CNc2ccccc2OC(C)C)n1 ZINC000078780092 177387420 /nfs/dbraw/zinc/38/74/20/177387420.db2.gz ZHEYSUCIAPDSQB-UHFFFAOYSA-N -1 3 272.348 3.495 20 0 CGADHM [O-]c1coc2cc(OC/C=C/c3ccccc3)ccc12 ZINC000057524184 416483529 /nfs/dbraw/zinc/48/35/29/416483529.db2.gz MVFLQEVLARLEIQ-QPJJXVBHSA-N -1 3 266.296 3.354 20 0 CGADHM CCN(Cc1cccc([O-])c1Cl)[C@H]1CCCOC1 ZINC000402685872 416547408 /nfs/dbraw/zinc/54/74/08/416547408.db2.gz KAQHZXVBGGGFQZ-LBPRGKRZSA-N -1 3 269.772 3.047 20 0 CGADHM C[C@H]1C[C@@H]1C(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000125341841 416508270 /nfs/dbraw/zinc/50/82/70/416508270.db2.gz ADVCBBYBSIOGHE-XPUUQOCRSA-N -1 3 259.227 3.006 20 0 CGADHM C[C@@H]1CCC[C@@H](c2nc3ccc([O-])cc3c(=O)[nH]2)C1 ZINC000679270257 543611532 /nfs/dbraw/zinc/61/15/32/543611532.db2.gz WJIRCWALOWGUOR-NXEZZACHSA-N -1 3 258.321 3.335 20 0 CGADHM CC1(CC(=O)Nc2ccc(-c3nnn[n-]3)cc2)CCCCC1 ZINC000130067492 287344412 /nfs/dbraw/zinc/34/44/12/287344412.db2.gz PXSOKSLWCONNCP-UHFFFAOYSA-N -1 3 299.378 3.166 20 0 CGADHM CC1(CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)CCCCC1 ZINC000130067492 287344415 /nfs/dbraw/zinc/34/44/15/287344415.db2.gz PXSOKSLWCONNCP-UHFFFAOYSA-N -1 3 299.378 3.166 20 0 CGADHM CC(C)C(C)(C)NC(=O)Cc1ccc([O-])cc1Cl ZINC000679634540 543652068 /nfs/dbraw/zinc/65/20/68/543652068.db2.gz QEJXUVIFMJBQOT-UHFFFAOYSA-N -1 3 269.772 3.139 20 0 CGADHM O=C(c1cccc([O-])c1)N1Cc2ccccc2C(F)(F)C1 ZINC000679645431 543652933 /nfs/dbraw/zinc/65/29/33/543652933.db2.gz YCFNOILHRLIBPK-UHFFFAOYSA-N -1 3 289.281 3.140 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2cc(O)c(C)cc2C)c1 ZINC000680823385 543736338 /nfs/dbraw/zinc/73/63/38/543736338.db2.gz PUQBGPNYDYVNGK-UHFFFAOYSA-N -1 3 271.316 3.275 20 0 CGADHM Cc1cc(C(=O)N2CC[C@@H](C)c3cccc([O-])c32)c(C)[nH]1 ZINC000681090037 543764645 /nfs/dbraw/zinc/76/46/45/543764645.db2.gz WHBIMZQXMREJES-SNVBAGLBSA-N -1 3 284.359 3.491 20 0 CGADHM COC1CCC(c2nc(-c3ccc([O-])cc3)no2)CC1 ZINC000681959489 543811730 /nfs/dbraw/zinc/81/17/30/543811730.db2.gz WXFVSROYLHMJKN-UHFFFAOYSA-N -1 3 274.320 3.115 20 0 CGADHM O=C(c1cccc2[n-]nnc21)N1CCC(C2CCCC2)CC1 ZINC000682161737 543832017 /nfs/dbraw/zinc/83/20/17/543832017.db2.gz JCSFSRNDYCUTNF-UHFFFAOYSA-N -1 3 298.390 3.000 20 0 CGADHM O=C(c1cccc2nn[n-]c21)N1CCC(C2CCCC2)CC1 ZINC000682161737 543832020 /nfs/dbraw/zinc/83/20/20/543832020.db2.gz JCSFSRNDYCUTNF-UHFFFAOYSA-N -1 3 298.390 3.000 20 0 CGADHM O=C(c1cccc2n[n-]nc21)N1CCC(C2CCCC2)CC1 ZINC000682161737 543832022 /nfs/dbraw/zinc/83/20/22/543832022.db2.gz JCSFSRNDYCUTNF-UHFFFAOYSA-N -1 3 298.390 3.000 20 0 CGADHM CCc1ccc(C(=O)N[C@H](C)c2c(C)noc2C)c([O-])c1 ZINC000682503277 543849494 /nfs/dbraw/zinc/84/94/94/543849494.db2.gz QEVJAUBPATVUDW-SECBINFHSA-N -1 3 288.347 3.050 20 0 CGADHM CCCCCCN(C)CC(=O)Nc1cccc(Cl)c1[O-] ZINC000736682033 572804915 /nfs/dbraw/zinc/80/49/15/572804915.db2.gz JKZFYQSNFNNVQB-UHFFFAOYSA-N -1 3 298.814 3.496 20 0 CGADHM CCc1ccc([O-])c(C(=O)N(C)Cc2ccn(CC)c2)c1 ZINC000682948594 543881531 /nfs/dbraw/zinc/88/15/31/543881531.db2.gz XFCUJLCEMSQUAP-UHFFFAOYSA-N -1 3 286.375 3.048 20 0 CGADHM O=C(Nc1cc(C(F)(F)F)ccc1[O-])c1nccs1 ZINC000683541884 543923281 /nfs/dbraw/zinc/92/32/81/543923281.db2.gz XUMMKZIKQUEROP-UHFFFAOYSA-N -1 3 288.250 3.120 20 0 CGADHM C[C@H]1CCN(C(=O)c2nccs2)c2c([O-])cccc21 ZINC000683632889 543930596 /nfs/dbraw/zinc/93/05/96/543930596.db2.gz JQQUOFXNRYVHJP-VIFPVBQESA-N -1 3 274.345 3.003 20 0 CGADHM O=C(c1ccc2n[n-]nc2c1)N1CCCCc2sccc21 ZINC000684784298 544029927 /nfs/dbraw/zinc/02/99/27/544029927.db2.gz BTXNMWPBRJHDSY-UHFFFAOYSA-N -1 3 298.371 3.003 20 0 CGADHM CCOc1ccccc1[C@@H](CC)NCc1ncccc1[O-] ZINC000685422110 544066993 /nfs/dbraw/zinc/06/69/93/544066993.db2.gz YEUYLYSETNYTPR-CQSZACIVSA-N -1 3 286.375 3.427 20 0 CGADHM C[C@H](NCc1ncccc1[O-])c1cccc(N2CCCC2)c1 ZINC000685425774 544067896 /nfs/dbraw/zinc/06/78/96/544067896.db2.gz DVTKXLFOZDFHTR-AWEZNQCLSA-N -1 3 297.402 3.238 20 0 CGADHM O=C(Nc1ncc(Cl)s1)c1cc([O-])ccc1Cl ZINC000685760460 544096201 /nfs/dbraw/zinc/09/62/01/544096201.db2.gz ZJBQHSXVPYSREN-UHFFFAOYSA-N -1 3 289.143 3.408 20 0 CGADHM CSc1cc(NC(=O)c2cc([O-])ccc2Cl)ccn1 ZINC000685809852 544097342 /nfs/dbraw/zinc/09/73/42/544097342.db2.gz TUDJKJGGDMXFFF-UHFFFAOYSA-N -1 3 294.763 3.415 20 0 CGADHM CC(C)C[C@H]1CCCCN1Cc1cc(C(=O)[O-])co1 ZINC000652425610 418966310 /nfs/dbraw/zinc/96/63/10/418966310.db2.gz AUIBGHNMDDPCDW-CYBMUJFWSA-N -1 3 265.353 3.378 20 0 CGADHM Cc1oc(CN2CC[C@H](C)C(C)(C)C2)cc1C(=O)[O-] ZINC000652443628 418968414 /nfs/dbraw/zinc/96/84/14/418968414.db2.gz KFEOSSNJYCRILE-JTQLQIEISA-N -1 3 265.353 3.154 20 0 CGADHM O=C([O-])C[C@H]1CCCCN1Cc1ccccc1OC1CC1 ZINC000652463756 418971384 /nfs/dbraw/zinc/97/13/84/418971384.db2.gz TUJPZZOMTQBYRE-CQSZACIVSA-N -1 3 289.375 3.057 20 0 CGADHM CC[C@H]1c2ccccc2CCN1Cc1ccoc1C(=O)[O-] ZINC000652414538 418964048 /nfs/dbraw/zinc/96/40/48/418964048.db2.gz FUKOAHQFIOSKEK-HNNXBMFYSA-N -1 3 285.343 3.487 20 0 CGADHM Fc1ccc(C(F)(F)C[N-]c2nnc(C3CC3)o2)cc1 ZINC000664560772 418977081 /nfs/dbraw/zinc/97/70/81/418977081.db2.gz SELAZGBHWKYRCS-UHFFFAOYSA-N -1 3 283.253 3.290 20 0 CGADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CCCC(F)(F)C1 ZINC000652745316 418989565 /nfs/dbraw/zinc/98/95/65/418989565.db2.gz PSPMFQJPPLPXJE-UHFFFAOYSA-N -1 3 295.329 3.142 20 0 CGADHM O=C([O-])c1ccc2c(c1)CN([C@@H]1C[C@@H]1c1ccccc1)C2 ZINC000659790706 418992317 /nfs/dbraw/zinc/99/23/17/418992317.db2.gz KZYOFYQNMRMJJZ-IAGOWNOFSA-N -1 3 279.339 3.257 20 0 CGADHM O=C([O-])c1ccccc1CN1CC[C@@H](Oc2ccccc2)C1 ZINC000659802395 418994432 /nfs/dbraw/zinc/99/44/32/418994432.db2.gz VTGKQEZYPJVNDZ-MRXNPFEDSA-N -1 3 297.354 3.038 20 0 CGADHM CCCC1(CNC(=O)NCc2ccc([O-])c(F)c2)CCC1 ZINC000150941863 287503058 /nfs/dbraw/zinc/50/30/58/287503058.db2.gz YXPNUTORCVXLEM-UHFFFAOYSA-N -1 3 294.370 3.301 20 0 CGADHM CCc1cccc(C(=O)N2C[C@H](C3CC3)[C@@H]2C2CC2)c1[O-] ZINC000653926847 419113699 /nfs/dbraw/zinc/11/36/99/419113699.db2.gz IDXFBLILALRMSL-CVEARBPZSA-N -1 3 285.387 3.215 20 0 CGADHM CC(C)=CCCN(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000660293636 419121489 /nfs/dbraw/zinc/12/14/89/419121489.db2.gz LWYKPZDZZDVMRV-UHFFFAOYSA-N -1 3 277.393 3.185 20 0 CGADHM Cc1ccc([O-])c(CN2C[C@H](C)OC3(CCCCC3)C2)n1 ZINC000656280774 419166587 /nfs/dbraw/zinc/16/65/87/419166587.db2.gz JXNVZDKNJRZCNO-AWEZNQCLSA-N -1 3 290.407 3.019 20 0 CGADHM Cc1ccc(CN2CC[C@H](C)[C@@H](C(=O)[O-])C2)c(Cl)c1 ZINC000655927290 419128323 /nfs/dbraw/zinc/12/83/23/419128323.db2.gz HAXFLLOLVKYALX-AAEUAGOBSA-N -1 3 281.783 3.191 20 0 CGADHM CCCn1c(=O)[n-]nc1SC[C@H](OC)C1CCCCC1 ZINC000657231397 419233900 /nfs/dbraw/zinc/23/39/00/419233900.db2.gz CBPKMEUFBZHXDG-LBPRGKRZSA-N -1 3 299.440 3.081 20 0 CGADHM COc1cccc(CN2C[C@H](C(=O)[O-])CC[C@H]2C)c1Cl ZINC000662213227 419361431 /nfs/dbraw/zinc/36/14/31/419361431.db2.gz UQGVOOGKWQWXJC-ZYHUDNBSSA-N -1 3 297.782 3.034 20 0 CGADHM CC1C[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccc([O-])c(F)c1 ZINC000664193902 419858262 /nfs/dbraw/zinc/85/82/62/419858262.db2.gz YUGVWHLGTSZRCU-VGPLMAKISA-N -1 3 292.354 3.004 20 0 CGADHM CC[C@@H]1CCCCCN1C(=O)c1ccc([O-])c(C)c1 ZINC000227032990 287636965 /nfs/dbraw/zinc/63/69/65/287636965.db2.gz YKGQULXCEQFFAG-CQSZACIVSA-N -1 3 261.365 3.495 20 0 CGADHM C[C@H](CC(=O)[O-])NCc1ccc(F)c(Cl)c1Cl ZINC000414644504 263020036 /nfs/dbraw/zinc/02/00/36/263020036.db2.gz ZQRWIBLLVQLUMV-ZCFIWIBFSA-N -1 3 280.126 3.085 20 0 CGADHM COC(=O)c1ccc(C(=O)[N-]c2ccsc2Cl)o1 ZINC000187904916 263296753 /nfs/dbraw/zinc/29/67/53/263296753.db2.gz VYJLNJRNODBDKO-UHFFFAOYSA-N -1 3 285.708 3.033 20 0 CGADHM COc1ccc(NC(=O)c2cccc(C)c2[O-])cc1F ZINC000037290946 270029420 /nfs/dbraw/zinc/02/94/20/270029420.db2.gz LAYAJGXHHFRSLI-UHFFFAOYSA-N -1 3 275.279 3.101 20 0 CGADHM Cc1c(Cl)cccc1C(=O)Nc1ncccc1[O-] ZINC000082262129 270042758 /nfs/dbraw/zinc/04/27/58/270042758.db2.gz DYIIJMKXFGPCTR-UHFFFAOYSA-N -1 3 262.696 3.001 20 0 CGADHM COc1cc(C)cc(C(=O)Nc2cccc(F)c2)c1[O-] ZINC000106456416 270048855 /nfs/dbraw/zinc/04/88/55/270048855.db2.gz JHIZTRWNQPFSCI-UHFFFAOYSA-N -1 3 275.279 3.101 20 0 CGADHM COc1cccc([C@@H](C)C(=O)Nc2c(C)cccc2[O-])c1 ZINC000183041048 270054818 /nfs/dbraw/zinc/05/48/18/270054818.db2.gz WXIGYVKTUPDWDV-GFCCVEGCSA-N -1 3 285.343 3.451 20 0 CGADHM COc1ccccc1/C=C/C(=O)Nc1ccc([O-])cc1F ZINC000183274334 270055464 /nfs/dbraw/zinc/05/54/64/270055464.db2.gz VWQACLLPHUUZMN-RMKNXTFCSA-N -1 3 287.290 3.192 20 0 CGADHM COc1ccc([O-])c(C(=O)N[C@H](C)Cc2ccccc2C)c1 ZINC000519209784 265364858 /nfs/dbraw/zinc/36/48/58/265364858.db2.gz HZZIUSKDWRTFOF-CYBMUJFWSA-N -1 3 299.370 3.070 20 0 CGADHM Cc1ccc(NC(=O)[C@H]2CCCc3c(O)cccc32)c([O-])c1 ZINC000190004874 270072655 /nfs/dbraw/zinc/07/26/55/270072655.db2.gz PKWKSDLBCHBPGV-AWEZNQCLSA-N -1 3 297.354 3.465 20 0 CGADHM CCc1onc(C)c1C(=O)[N-]c1ccc(O)cc1SC ZINC000191563691 270075118 /nfs/dbraw/zinc/07/51/18/270075118.db2.gz GNJKROOROIVAQR-UHFFFAOYSA-N -1 3 292.360 3.225 20 0 CGADHM O=C(NCCc1cccc(Cl)c1)c1cccc([O-])c1 ZINC000193968953 270080692 /nfs/dbraw/zinc/08/06/92/270080692.db2.gz FJMSUSCRQKCZSQ-UHFFFAOYSA-N -1 3 275.735 3.018 20 0 CGADHM C[C@H]1CCCN1Cc1cccc([O-])c1Br ZINC000315845666 270092765 /nfs/dbraw/zinc/09/27/65/270092765.db2.gz LESNHVHWRRQEIL-VIFPVBQESA-N -1 3 270.170 3.139 20 0 CGADHM CC(C)CN(C)[C@@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000517575901 270097471 /nfs/dbraw/zinc/09/74/71/270097471.db2.gz NMHBBZJQNPCCCX-GFCCVEGCSA-N -1 3 273.735 3.193 20 0 CGADHM COc1cc(C(=O)Nc2cccc(C(C)=O)c2[O-])ccc1C ZINC000521921451 270103269 /nfs/dbraw/zinc/10/32/69/270103269.db2.gz GWRAECCMOCBCGK-UHFFFAOYSA-N -1 3 299.326 3.164 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2nnc(C(C)C)s2)c1 ZINC000523322448 270108311 /nfs/dbraw/zinc/10/83/11/270108311.db2.gz MRVFWIVKDDYCAD-UHFFFAOYSA-N -1 3 291.376 3.182 20 0 CGADHM CC1(C)CCCN1C(=O)c1cc([O-])cc(Br)c1 ZINC000528407181 270164197 /nfs/dbraw/zinc/16/41/97/270164197.db2.gz KUDZNLMCMFAJMF-UHFFFAOYSA-N -1 3 298.180 3.169 20 0 CGADHM C[C@@H]1CCN(C(=O)c2cc([O-])cc(Br)c2)[C@H]1C ZINC000528775109 270172778 /nfs/dbraw/zinc/17/27/78/270172778.db2.gz PEGWYBKNJCULFE-BDAKNGLRSA-N -1 3 298.180 3.025 20 0 CGADHM CC(C)CO[N-]C(=O)[C@@H]1CC[C@@H]1c1ccc(F)cc1 ZINC000528878090 270175068 /nfs/dbraw/zinc/17/50/68/270175068.db2.gz FTQFARZREGCBBW-ZIAGYGMSSA-N -1 3 265.328 3.023 20 0 CGADHM O=C([O-])[C@@H]1c2ccoc2CCN1CCCCc1ccccc1 ZINC000530167697 270195484 /nfs/dbraw/zinc/19/54/84/270195484.db2.gz YHSANNJFHZICLN-KRWDZBQOSA-N -1 3 299.370 3.286 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)[C@@H]2[C@@H](C)[C@@H]2C2CC2)c1-c1ccccc1 ZINC000530262056 270197957 /nfs/dbraw/zinc/19/79/57/270197957.db2.gz JKKUNKMBBQKMMC-COLVAYQJSA-N -1 3 295.386 3.038 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)[C@H]2CC[C@@H](C)C2)c1-c1ccc(C)cc1 ZINC000530275002 270198200 /nfs/dbraw/zinc/19/82/00/270198200.db2.gz YZZKXBDYAGEEGC-DOMZBBRYSA-N -1 3 297.402 3.490 20 0 CGADHM CCc1cccc(C(=O)Nc2ccc(OC)cc2)c1[O-] ZINC000531118950 270204274 /nfs/dbraw/zinc/20/42/74/270204274.db2.gz WIORQJSFQZIWOK-UHFFFAOYSA-N -1 3 271.316 3.216 20 0 CGADHM CCCc1nnc(NC(=O)c2cccc(CC)c2[O-])s1 ZINC000531436064 270207058 /nfs/dbraw/zinc/20/70/58/270207058.db2.gz KVFCNMMXNDSBAI-UHFFFAOYSA-N -1 3 291.376 3.011 20 0 CGADHM Cn1cnc2cc(-c3nc4ccc(F)cc4c(=O)[n-]3)ccc21 ZINC000533327586 270223380 /nfs/dbraw/zinc/22/33/80/270223380.db2.gz YQXCFEJWYDPVCQ-UHFFFAOYSA-N -1 3 294.289 3.028 20 0 CGADHM [O-]c1cc(F)cc(CN[C@@H]2CCc3c2cccc3F)c1 ZINC000274382074 275060836 /nfs/dbraw/zinc/06/08/36/275060836.db2.gz AKVIVYNGZLBFIY-MRXNPFEDSA-N -1 3 275.298 3.448 20 0 CGADHM CC1(c2ccccc2)CC(NC(=O)c2cccc([O-])c2)C1 ZINC000272812555 276172837 /nfs/dbraw/zinc/17/28/37/276172837.db2.gz NPVFTPHXLFKQFH-UHFFFAOYSA-N -1 3 281.355 3.242 20 0 CGADHM CCN(Cc1ccccc1)[C@H](C)c1nc(C)cc(=O)[n-]1 ZINC000192525139 276354544 /nfs/dbraw/zinc/35/45/44/276354544.db2.gz AJRHSXFBXLPWGG-CYBMUJFWSA-N -1 3 271.364 3.074 20 0 CGADHM CC[C@@H]1CC[C@@H](C(=O)N2CC[C@H](C)c3cccc([O-])c32)O1 ZINC000274410122 276471658 /nfs/dbraw/zinc/47/16/58/276471658.db2.gz VHJQUVOGNQDECB-ZOWXZIJZSA-N -1 3 289.375 3.190 20 0 CGADHM Cc1cc(C(=O)NC2CCC(F)(F)CC2)ccc1[O-] ZINC000335101061 278645424 /nfs/dbraw/zinc/64/54/24/278645424.db2.gz AKZKQJXSHDKKRO-UHFFFAOYSA-N -1 3 269.291 3.008 20 0 CGADHM CCc1noc(C)c1C(=O)[N-]c1ccc(O)cc1SC ZINC000490230004 288117527 /nfs/dbraw/zinc/11/75/27/288117527.db2.gz KDJSRUZGBKVBRG-UHFFFAOYSA-N -1 3 292.360 3.225 20 0 CGADHM CCc1cccc(C(=O)N[C@@H](C(C)C)C(F)(F)F)c1[O-] ZINC000527307799 288165120 /nfs/dbraw/zinc/16/51/20/288165120.db2.gz VFENSKSCECAABN-LBPRGKRZSA-N -1 3 289.297 3.271 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])c1occ2c1CCC2 ZINC000354222126 280007133 /nfs/dbraw/zinc/00/71/33/280007133.db2.gz VJLJLDIBPDOIRG-UHFFFAOYSA-N -1 3 277.707 3.380 20 0 CGADHM O=C(c1ccc(F)cc1F)N1CCCc2cccc([O-])c21 ZINC000063063761 280186379 /nfs/dbraw/zinc/18/63/79/280186379.db2.gz NKJSIXMPUYBAMU-UHFFFAOYSA-N -1 3 289.281 3.263 20 0 CGADHM CC[C@@H](c1ccncc1)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000263417173 280220601 /nfs/dbraw/zinc/22/06/01/280220601.db2.gz NPTPSYUIKOWBSN-INIZCTEOSA-N -1 3 284.359 3.363 20 0 CGADHM CCC[C@@H](OCC)C(=O)Nc1ccc([O-])cc1Cl ZINC000529521192 288256784 /nfs/dbraw/zinc/25/67/84/288256784.db2.gz QMCHZZAGMLQBJS-GFCCVEGCSA-N -1 3 271.744 3.189 20 0 CGADHM C[C@@H]1CC(F)(F)CCN1CCc1ccccc1C(=O)[O-] ZINC000530174685 288293539 /nfs/dbraw/zinc/29/35/39/288293539.db2.gz YOFXCUWYCVJDPA-LLVKDONJSA-N -1 3 283.318 3.047 20 0 CGADHM CC1(C)Cc2cccc(NC(=O)c3cccc([O-])c3)c2O1 ZINC000530511647 288308876 /nfs/dbraw/zinc/30/88/76/288308876.db2.gz GCHWDFUVUBWULI-UHFFFAOYSA-N -1 3 283.327 3.358 20 0 CGADHM CCc1ccc(C(=O)N2CCCC[C@H](C)C2)c([O-])c1 ZINC000436835145 281394915 /nfs/dbraw/zinc/39/49/15/281394915.db2.gz CJERQUUQTJWYNM-LBPRGKRZSA-N -1 3 261.365 3.217 20 0 CGADHM Cc1cc(C(=O)[N-]c2nnc(-c3ccco3)s2)oc1C ZINC000532261004 288359046 /nfs/dbraw/zinc/35/90/46/288359046.db2.gz NIUOUWXCIMANHS-UHFFFAOYSA-N -1 3 289.316 3.260 20 0 CGADHM Cc1ccc(CC(=O)Nc2cc(Cl)ccc2[O-])o1 ZINC000533985778 288398958 /nfs/dbraw/zinc/39/89/58/288398958.db2.gz BPHGDARRPAJIMV-UHFFFAOYSA-N -1 3 265.696 3.128 20 0 CGADHM O=C(N[C@H](c1ccccc1)C(F)(F)F)c1ccccc1[O-] ZINC000538744374 288587493 /nfs/dbraw/zinc/58/74/93/288587493.db2.gz IIRWPZQEZNJOBH-CYBMUJFWSA-N -1 3 295.260 3.426 20 0 CGADHM CCc1cccc(C(=O)N2C[C@H](C)C[C@@H]2CC)c1[O-] ZINC000538782817 288589681 /nfs/dbraw/zinc/58/96/81/288589681.db2.gz HGDHZZWDZDZVRH-YPMHNXCESA-N -1 3 261.365 3.215 20 0 CGADHM CCC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(C)o1 ZINC000540218998 288651544 /nfs/dbraw/zinc/65/15/44/288651544.db2.gz YVCFSDJFYCWZID-QWHCGFSZSA-N -1 3 285.409 3.225 20 0 CGADHM Cc1cccc2c1CC[C@H]2NC(=O)c1cccc([O-])c1 ZINC000541887272 288725491 /nfs/dbraw/zinc/72/54/91/288725491.db2.gz OKTJIWMJNRBXBG-MRXNPFEDSA-N -1 3 267.328 3.118 20 0 CGADHM C[C@@H](CCC(C)(C)C)C(=O)Nc1ncccc1[O-] ZINC000544590686 288854747 /nfs/dbraw/zinc/85/47/47/288854747.db2.gz RPJHPYOSBCLIDP-JTQLQIEISA-N -1 3 250.342 3.188 20 0 CGADHM C[C@@H]1[C@H](C(=O)[O-])CCCN1Cc1cc(Cl)cs1 ZINC000263065249 289001321 /nfs/dbraw/zinc/00/13/21/289001321.db2.gz NUDOPDSBCKLTTN-LDYMZIIASA-N -1 3 273.785 3.087 20 0 CGADHM O=C(N=c1cc2ccccn2[n-]1)[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000553320848 289219278 /nfs/dbraw/zinc/21/92/78/289219278.db2.gz UAIOSTZLLOQWQF-QLFBSQMISA-N -1 3 297.402 3.301 20 0 CGADHM CC(C)c1ccc(Cl)c(S(=O)(=O)[N-]CCCF)c1 ZINC000556398725 289389352 /nfs/dbraw/zinc/38/93/52/289389352.db2.gz LDAPJOQCBNTJBX-UHFFFAOYSA-N -1 3 293.791 3.101 20 0 CGADHM CCc1csc(NC(=O)c2cc(CC)ccc2[O-])n1 ZINC000560710246 289614008 /nfs/dbraw/zinc/61/40/08/289614008.db2.gz SJWIXQIXOMMZKB-UHFFFAOYSA-N -1 3 276.361 3.226 20 0 CGADHM C[C@@H]1Cc2ccccc2[C@H]1NCc1ccc(C(=O)[O-])cc1 ZINC000414639318 297507339 /nfs/dbraw/zinc/50/73/39/297507339.db2.gz PTQRCDXTPXJHAM-PXAZEXFGSA-N -1 3 281.355 3.408 20 0 CGADHM Cc1nc2ccccc2c(N2CCC[C@H](C(=O)[O-])C2)c1C ZINC000263377032 302665502 /nfs/dbraw/zinc/66/55/02/302665502.db2.gz BQTMURBYHZLKRD-ZDUSSCGKSA-N -1 3 284.359 3.153 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-][C@H]2CC23CCCCC3)c(F)c1 ZINC000404867340 321971185 /nfs/dbraw/zinc/97/11/85/321971185.db2.gz CSPGPPVEXZPQDW-AWEZNQCLSA-N -1 3 297.395 3.135 20 0 CGADHM Cc1ccc(CN[C@H](CC(=O)[O-])c2ccncc2)c(C)c1 ZINC000563821337 322012017 /nfs/dbraw/zinc/01/20/17/322012017.db2.gz RUOUGGCRISXAGR-MRXNPFEDSA-N -1 3 284.359 3.004 20 0 CGADHM CCCc1[nH]ccc1C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000565022952 322055674 /nfs/dbraw/zinc/05/56/74/322055674.db2.gz CMOIVVXYLYFXJP-UHFFFAOYSA-N -1 3 286.331 3.128 20 0 CGADHM CCc1cc(=O)[n-]c(CN2CCc3ccccc3C2(C)C)n1 ZINC000565264079 322070788 /nfs/dbraw/zinc/07/07/88/322070788.db2.gz SSCLUIDSNZFZBQ-UHFFFAOYSA-N -1 3 297.402 3.038 20 0 CGADHM O=c1cc(C=Cc2ccc3c(c2)OCCO3)nc(C2CC2)[n-]1 ZINC000565556959 322082400 /nfs/dbraw/zinc/08/24/00/322082400.db2.gz AQNKHBPBKNCHOI-KTAJNNJTSA-N -1 3 296.326 3.001 20 0 CGADHM O=C([O-])c1ccc(Cl)c(CN2C[C@H]3CCC[C@@H]3C2)c1 ZINC000565897969 322095958 /nfs/dbraw/zinc/09/59/58/322095958.db2.gz GSJFTOGSKXYQNK-VXGBXAGGSA-N -1 3 279.767 3.270 20 0 CGADHM C[C@H](c1ccco1)N(CC1(CC(=O)[O-])CC1)C1CC1 ZINC000566359467 322117694 /nfs/dbraw/zinc/11/76/94/322117694.db2.gz WKKWRKSKVDIXNV-LLVKDONJSA-N -1 3 263.337 3.060 20 0 CGADHM Cc1oc(CN(C)CCc2ccccc2F)cc1C(=O)[O-] ZINC000566358763 322117981 /nfs/dbraw/zinc/11/79/81/322117981.db2.gz MBYGDQDNMOCKGJ-UHFFFAOYSA-N -1 3 291.322 3.100 20 0 CGADHM Cc1cc(NC(=O)Cc2cncc([O-])c2)ccc1C1CC1 ZINC000566471679 322124554 /nfs/dbraw/zinc/12/45/54/322124554.db2.gz XPAPYUDTWSRCNF-UHFFFAOYSA-N -1 3 282.343 3.154 20 0 CGADHM CC(C)COC1CCN([C@@H](C(=O)[O-])c2ccsc2)CC1 ZINC000567116810 322151188 /nfs/dbraw/zinc/15/11/88/322151188.db2.gz NBLFKYSBUUCODP-CQSZACIVSA-N -1 3 297.420 3.011 20 0 CGADHM Cc1ccc(C[C@@H](C)N(C)Cc2occc2C(=O)[O-])cc1 ZINC000567359461 322160794 /nfs/dbraw/zinc/16/07/94/322160794.db2.gz VWRSMKWKPFLRED-CYBMUJFWSA-N -1 3 287.359 3.349 20 0 CGADHM CC1(CNC(=O)NCc2ccc([O-])c(F)c2)CCCCC1 ZINC000568340041 322204890 /nfs/dbraw/zinc/20/48/90/322204890.db2.gz SJOTUVGPTWRTPD-UHFFFAOYSA-N -1 3 294.370 3.301 20 0 CGADHM CN(CCCCc1ccccc1)Cc1ccoc1C(=O)[O-] ZINC000568639417 322216792 /nfs/dbraw/zinc/21/67/92/322216792.db2.gz OIFKAYHBLBCVEA-UHFFFAOYSA-N -1 3 287.359 3.433 20 0 CGADHM O=C(Cc1coc2ccccc12)Nc1cc(F)ccc1[O-] ZINC000569485826 322248813 /nfs/dbraw/zinc/24/88/13/322248813.db2.gz PRFUFTGVSUKQGJ-UHFFFAOYSA-N -1 3 285.274 3.459 20 0 CGADHM CC(C)C[C@@H]1CCN([C@@H](C(=O)[O-])c2ccsc2)C1 ZINC000569858366 322258901 /nfs/dbraw/zinc/25/89/01/322258901.db2.gz VGYYLWOTMNMHPR-WCQYABFASA-N -1 3 267.394 3.242 20 0 CGADHM Cc1ccc(C(=O)N2CC[C@@H]3CCCC[C@@H]32)c([O-])c1C ZINC000571048629 322288546 /nfs/dbraw/zinc/28/85/46/322288546.db2.gz GHLIRLLBEVMDRD-ZFWWWQNUSA-N -1 3 273.376 3.414 20 0 CGADHM CCC[C@H](C)CC(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000571196992 322292577 /nfs/dbraw/zinc/29/25/77/322292577.db2.gz XBKQFXMIOXBAKE-JTQLQIEISA-N -1 3 263.337 3.360 20 0 CGADHM O=C([O-])CN(Cc1ccc(F)cc1)Cc1ccc(F)cc1 ZINC000571317958 322295646 /nfs/dbraw/zinc/29/56/46/322295646.db2.gz BEJDKRQMLKSBNS-UHFFFAOYSA-N -1 3 291.297 3.052 20 0 CGADHM CS[C@H]1CCCCN(Cc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000571418887 322298397 /nfs/dbraw/zinc/29/83/97/322298397.db2.gz PZBWOGLCQLKXRT-LBPRGKRZSA-N -1 3 297.395 3.241 20 0 CGADHM O=C(NCc1ccc([O-])c(F)c1)[C@H]1CCCC[C@H]1C1CC1 ZINC000571447216 322298984 /nfs/dbraw/zinc/29/89/84/322298984.db2.gz QBWXUNSWRYKQAN-KBPBESRZSA-N -1 3 291.366 3.364 20 0 CGADHM C[C@H]1CCSCCN1Cc1c(Cl)cccc1C(=O)[O-] ZINC000572250457 322327619 /nfs/dbraw/zinc/32/76/19/322327619.db2.gz VFPLNJRIBKSQPV-JTQLQIEISA-N -1 3 299.823 3.366 20 0 CGADHM Cc1c([N-]c2nc3ccccc3o2)cnn1[C@@H]1CCOC1 ZINC000572811364 322356015 /nfs/dbraw/zinc/35/60/15/322356015.db2.gz DGDIONKYWQIAEJ-LLVKDONJSA-N -1 3 284.319 3.038 20 0 CGADHM CCc1coc(NC(=O)c2cc3c(cc2[O-])CCCC3)n1 ZINC000572903312 322360964 /nfs/dbraw/zinc/36/09/64/322360964.db2.gz KFCMUMHVQFCUEP-UHFFFAOYSA-N -1 3 286.331 3.074 20 0 CGADHM CO[C@H](CN(C)Cc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000393441174 329092221 /nfs/dbraw/zinc/09/22/21/329092221.db2.gz VCWMPKQXHXSPKN-QGZVFWFLSA-N -1 3 299.370 3.204 20 0 CGADHM COc1ccc(Cl)c(CN(CC(=O)[O-])C2CCCC2)c1 ZINC000583095590 329315391 /nfs/dbraw/zinc/31/53/91/329315391.db2.gz ORSOFOGNJRMKRW-UHFFFAOYSA-N -1 3 297.782 3.178 20 0 CGADHM CCOC[C@@H]1CCCN([C@@H](C)c2cc(C(=O)[O-])c(C)o2)C1 ZINC000580440932 330135763 /nfs/dbraw/zinc/13/57/63/330135763.db2.gz WUHBQAVUAJRYDQ-WCQYABFASA-N -1 3 295.379 3.096 20 0 CGADHM O=C([O-])c1sccc1CN1CCS[C@H]2CCCC[C@H]21 ZINC000580456552 330140942 /nfs/dbraw/zinc/14/09/42/330140942.db2.gz HQVGRPOVHRLXMK-NEPJUHHUSA-N -1 3 297.445 3.306 20 0 CGADHM CCn1c(=O)[n-]nc1SC/C=C\c1ccc(Cl)cc1 ZINC000344654983 335262029 /nfs/dbraw/zinc/26/20/29/335262029.db2.gz DAOKISLUHVKBJV-ARJAWSKDSA-N -1 3 295.795 3.463 20 0 CGADHM Cc1cc(F)c(CNCC2(C(=O)[O-])CCCC2)c(F)c1 ZINC000577385179 335346130 /nfs/dbraw/zinc/34/61/30/335346130.db2.gz FKUCWYXUDYZTRX-UHFFFAOYSA-N -1 3 283.318 3.008 20 0 CGADHM C[C@H](C(=O)Nc1cccc([O-])c1F)c1ccccc1 ZINC000183804499 335906766 /nfs/dbraw/zinc/90/67/66/335906766.db2.gz JOZQBEOFFHMYBY-JTQLQIEISA-N -1 3 259.280 3.274 20 0 CGADHM C[C@@H]1[C@@H](C)CCCN1Cc1csc(C(=O)[O-])c1 ZINC000581553166 336101769 /nfs/dbraw/zinc/10/17/69/336101769.db2.gz FLYDCYWIZLJPTI-VHSXEESVSA-N -1 3 253.367 3.067 20 0 CGADHM C[C@H](c1ccccc1)N(C)Cc1occc1C(=O)[O-] ZINC000383883020 336118963 /nfs/dbraw/zinc/11/89/63/336118963.db2.gz WRYYTINASBLQLJ-LLVKDONJSA-N -1 3 259.305 3.171 20 0 CGADHM Cc1oc(CN2CCC[C@H]2C(C)(C)C)cc1C(=O)[O-] ZINC000581829862 336148947 /nfs/dbraw/zinc/14/89/47/336148947.db2.gz NCDYMUGVLAMOTG-ZDUSSCGKSA-N -1 3 265.353 3.297 20 0 CGADHM Cc1cc(F)cc([N-]S(=O)(=O)CCc2cccs2)c1 ZINC000357145472 500960241 /nfs/dbraw/zinc/96/02/41/500960241.db2.gz IMZVSTGPAVJJHC-UHFFFAOYSA-N -1 3 299.392 3.180 20 0 CGADHM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccccc1[O-] ZINC000173051150 533755874 /nfs/dbraw/zinc/75/58/74/533755874.db2.gz VTSQWBHTKQQSGH-DYEKYZERSA-N -1 3 259.349 3.185 20 0 CGADHM CSCc1cccnc1C(=O)Nc1ccc(C)cc1[O-] ZINC000436902631 533868711 /nfs/dbraw/zinc/86/87/11/533868711.db2.gz QRGHTYOEIVWKDO-UHFFFAOYSA-N -1 3 288.372 3.211 20 0 CGADHM CSCc1cccnc1C(=O)Nc1ccc([O-])cc1F ZINC000437001157 533867786 /nfs/dbraw/zinc/86/77/86/533867786.db2.gz VPLBCBCVWFZTDF-UHFFFAOYSA-N -1 3 292.335 3.042 20 0 CGADHM Cc1ccc(CN[C@@H](C(=O)[O-])c2cccc(F)c2)c(C)c1 ZINC000426829842 534077893 /nfs/dbraw/zinc/07/78/93/534077893.db2.gz SCHMULASKVKOKB-MRXNPFEDSA-N -1 3 287.334 3.358 20 0 CGADHM CS[C@H]1CCCCN(C(=O)c2ccc([O-])c(C)c2)C1 ZINC000272720385 534086065 /nfs/dbraw/zinc/08/60/65/534086065.db2.gz ZHIWPZPJOGZGRO-ZDUSSCGKSA-N -1 3 279.405 3.058 20 0 CGADHM C[C@H]1CCC[C@H](N(C)C(=O)Cc2ccc([O-])c(F)c2)C1 ZINC000448666473 534182627 /nfs/dbraw/zinc/18/26/27/534182627.db2.gz GGJJCVKWYWHTTG-AAEUAGOBSA-N -1 3 279.355 3.111 20 0 CGADHM C[C@@H]1CC[C@H](Cc2nc(-c3ccc([O-])cc3)no2)C1 ZINC000436533798 534243451 /nfs/dbraw/zinc/24/34/51/534243451.db2.gz NNMOOCHUKAYTGO-MNOVXSKESA-N -1 3 258.321 3.421 20 0 CGADHM O=C(Nc1ccccc1[O-])[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000175085598 534399721 /nfs/dbraw/zinc/39/97/21/534399721.db2.gz HRNLKSMZJBSTBA-JQWIXIFHSA-N -1 3 289.281 3.413 20 0 CGADHM Cc1ccc2c(c1)CC[C@H]2NC(=O)c1ccccc1[O-] ZINC000436676501 534418998 /nfs/dbraw/zinc/41/89/98/534418998.db2.gz QASAYVLOZTXVIQ-OAHLLOKOSA-N -1 3 267.328 3.118 20 0 CGADHM CC(C)Cc1csc2[n-]c(COC(C)C)nc(=O)c12 ZINC000080715629 519452027 /nfs/dbraw/zinc/45/20/27/519452027.db2.gz GSRAVVJRABYJMA-UHFFFAOYSA-N -1 3 280.393 3.108 20 0 CGADHM [O-]c1cc(F)cc(CN[C@H]2C[C@@]2(F)c2ccccc2)c1 ZINC000424204886 534448472 /nfs/dbraw/zinc/44/84/72/534448472.db2.gz VRFHJJIVJZIUQL-JKSUJKDBSA-N -1 3 275.298 3.258 20 0 CGADHM O=C([O-])CC1(CNCc2ccc(Cl)cc2F)CCC1 ZINC000426654654 534487158 /nfs/dbraw/zinc/48/71/58/534487158.db2.gz NLJFDFLKQDMHSP-UHFFFAOYSA-N -1 3 285.746 3.214 20 0 CGADHM O=C([O-])[C@@H]1CC[C@H](NCc2cc(Cl)ccc2Cl)C1 ZINC000424613894 534525077 /nfs/dbraw/zinc/52/50/77/534525077.db2.gz GYUDIVSREPQSAV-KCJUWKMLSA-N -1 3 288.174 3.336 20 0 CGADHM Cc1ccc2oc(C(=O)Nc3ccccc3[O-])cc2n1 ZINC000170929539 534536215 /nfs/dbraw/zinc/53/62/15/534536215.db2.gz FXQKMTSTAPINMO-UHFFFAOYSA-N -1 3 268.272 3.094 20 0 CGADHM Cc1cccc(C(=O)N2Cc3ccccc3[C@H]2C)c1[O-] ZINC000436591416 534598650 /nfs/dbraw/zinc/59/86/50/534598650.db2.gz WPPIHZQVSIPVJK-GFCCVEGCSA-N -1 3 267.328 3.418 20 0 CGADHM Cc1cnc([C@@H](C)NC(=O)c2ccc(C)c(C)c2[O-])s1 ZINC000436572552 534617444 /nfs/dbraw/zinc/61/74/44/534617444.db2.gz DTHFARFDOSNQRF-LLVKDONJSA-N -1 3 290.388 3.265 20 0 CGADHM CC[C@@H]1C[C@H](C(=O)Nc2cc(Cl)cc(C)c2[O-])CCO1 ZINC000183822341 523562334 /nfs/dbraw/zinc/56/23/34/523562334.db2.gz RICIZQCAYGWLIR-ZYHUDNBSSA-N -1 3 297.782 3.498 20 0 CGADHM CCc1cc(=O)[n-]c(CN[C@@H](C)c2cccc(C)c2C)n1 ZINC000183713227 523835589 /nfs/dbraw/zinc/83/55/89/523835589.db2.gz LBOVMBSWZFGTCG-ZDUSSCGKSA-N -1 3 285.391 3.212 20 0 CGADHM CO[C@H](C)CCC(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000184138292 523864089 /nfs/dbraw/zinc/86/40/89/523864089.db2.gz ZYUYOEDHCYYVPE-SECBINFHSA-N -1 3 271.744 3.108 20 0 CGADHM CCc1ccc(C(=O)N(Cc2ccccn2)C2CC2)c([O-])c1 ZINC000188630055 523882503 /nfs/dbraw/zinc/88/25/03/523882503.db2.gz ZNQDDAWWQLJORZ-UHFFFAOYSA-N -1 3 296.370 3.154 20 0 CGADHM C[C@@H]1C[C@@H](C)CCN1Cc1cc(C(=O)[O-])ccc1F ZINC000062752969 525200891 /nfs/dbraw/zinc/20/08/91/525200891.db2.gz WATXSRANNXSTOC-WDEREUQCSA-N -1 3 265.328 3.144 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)Sc2nnc(C(C)(C)C)o2)n1 ZINC000155939476 525346328 /nfs/dbraw/zinc/34/63/28/525346328.db2.gz GXHDRWGRGIARBZ-QMMMGPOBSA-N -1 3 294.380 3.024 20 0 CGADHM CC(C)(C)[C@H](CNCc1c(F)cccc1F)CC(=O)[O-] ZINC000277172019 526696292 /nfs/dbraw/zinc/69/62/92/526696292.db2.gz DTLSOGQDZRMKBM-JTQLQIEISA-N -1 3 285.334 3.191 20 0 CGADHM CC(=O)Nc1ccc(C)cc1NC(=O)c1cccc(C)c1[O-] ZINC000170805356 526961501 /nfs/dbraw/zinc/96/15/01/526961501.db2.gz PUDBJPPJKHNPIZ-UHFFFAOYSA-N -1 3 298.342 3.220 20 0 CGADHM CC(=O)c1ccc(C(=O)NCc2ccc(C)cc2C)cc1[O-] ZINC000436527645 527257977 /nfs/dbraw/zinc/25/79/77/527257977.db2.gz DQQWSXRWVBTKEF-UHFFFAOYSA-N -1 3 297.354 3.142 20 0 CGADHM CC(C)C(C)(C)C(=O)Nc1n[n-]c(-c2ccccc2F)n1 ZINC000440266644 527562736 /nfs/dbraw/zinc/56/27/36/527562736.db2.gz OCILQMLFJJSHFD-UHFFFAOYSA-N -1 3 290.342 3.232 20 0 CGADHM CC(C)(C)C[C@@H](NCc1cc(Cl)ccc1F)C(=O)[O-] ZINC000426825762 527693983 /nfs/dbraw/zinc/69/39/83/527693983.db2.gz ROGGGBGYTBUKOF-GFCCVEGCSA-N -1 3 287.762 3.458 20 0 CGADHM CCC[C@@H]1CCCCN1C(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000412258925 527736517 /nfs/dbraw/zinc/73/65/17/527736517.db2.gz RWWLCHGDMHMQGW-CQSZACIVSA-N -1 3 289.375 3.390 20 0 CGADHM CC(C)c1ccc(C(=O)N[C@@H]2CCCSC2)c([O-])c1 ZINC000436570878 528075697 /nfs/dbraw/zinc/07/56/97/528075697.db2.gz BKYILIIRXSKBBG-GFCCVEGCSA-N -1 3 279.405 3.141 20 0 CGADHM CC(C)c1ccc(C(=O)N[C@@H](C)C[C@@H]2CCCO2)c([O-])c1 ZINC000436721115 528075708 /nfs/dbraw/zinc/07/57/08/528075708.db2.gz GLMWKXDJLURPQP-JSGCOSHPSA-N -1 3 291.391 3.203 20 0 CGADHM CCC[C@H](CC(C)C)C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000449266950 528091318 /nfs/dbraw/zinc/09/13/18/528091318.db2.gz XUGBBPIMCUMNFV-MRVPVSSYSA-N -1 3 292.305 3.224 20 0 CGADHM CCC[C@H](CC(C)C)C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000449266950 528091320 /nfs/dbraw/zinc/09/13/20/528091320.db2.gz XUGBBPIMCUMNFV-MRVPVSSYSA-N -1 3 292.305 3.224 20 0 CGADHM CCC[C@H](NC(=O)c1c[n-]c2ccccc2c1=O)C1CCC1 ZINC000412426565 528201106 /nfs/dbraw/zinc/20/11/06/528201106.db2.gz MBEPCGSUYSFHTK-HNNXBMFYSA-N -1 3 298.386 3.227 20 0 CGADHM CCC[C@](C)(CC)C(=O)N=c1cc(-c2ccncc2)[n-][nH]1 ZINC000359370952 528448548 /nfs/dbraw/zinc/44/85/48/528448548.db2.gz OCERWKSYUZIVAZ-INIZCTEOSA-N -1 3 286.379 3.049 20 0 CGADHM CCOc1ccc(CN[C@@H](C(=O)[O-])c2ccsc2)cc1 ZINC000426834043 528458844 /nfs/dbraw/zinc/45/88/44/528458844.db2.gz NHPJERYIFMJUAJ-CQSZACIVSA-N -1 3 291.372 3.062 20 0 CGADHM CCCCOC1CCN(C(=O)c2cc(C)ccc2[O-])CC1 ZINC000436575909 528569573 /nfs/dbraw/zinc/56/95/73/528569573.db2.gz PDAKWTRIFSOJCG-UHFFFAOYSA-N -1 3 291.391 3.122 20 0 CGADHM CCN(CCc1ccccc1)C(=O)c1ccc([O-])c(C)c1 ZINC000436899970 528591611 /nfs/dbraw/zinc/59/16/11/528591611.db2.gz AECVVNZIFCRGMN-UHFFFAOYSA-N -1 3 283.371 3.405 20 0 CGADHM CCOc1cccc(CCNC(=O)c2ccc([O-])c(C)c2)c1 ZINC000436936693 528641215 /nfs/dbraw/zinc/64/12/15/528641215.db2.gz GNEBTTXIVAGFJJ-UHFFFAOYSA-N -1 3 299.370 3.072 20 0 CGADHM CCCCOc1ccc(C(=O)NC[C@@H](C)SC)c([O-])c1 ZINC000436985866 528664332 /nfs/dbraw/zinc/66/43/32/528664332.db2.gz IKULNLFYYNNZHN-LLVKDONJSA-N -1 3 297.420 3.052 20 0 CGADHM CCOc1ccccc1CN(C)C(=O)c1ccc([O-])c(C)c1 ZINC000436923742 528723332 /nfs/dbraw/zinc/72/33/32/528723332.db2.gz DXTQOCBYAWRXRP-UHFFFAOYSA-N -1 3 299.370 3.372 20 0 CGADHM CCOc1ccccc1CNC(=O)c1ccc([O-])c(C)c1 ZINC000436901375 528729135 /nfs/dbraw/zinc/72/91/35/528729135.db2.gz GYPSCDZAHBLRDH-UHFFFAOYSA-N -1 3 285.343 3.029 20 0 CGADHM CCCSC[C@H](NCc1coc2ccccc12)C(=O)[O-] ZINC000426766571 528830786 /nfs/dbraw/zinc/83/07/86/528830786.db2.gz FTPYTOBGZKYFLZ-ZDUSSCGKSA-N -1 3 293.388 3.119 20 0 CGADHM CCOC(=O)CSCc1ccc([O-])c2nc(C)ccc12 ZINC000427261785 528850638 /nfs/dbraw/zinc/85/06/38/528850638.db2.gz AXCUWXJWKNYDRM-UHFFFAOYSA-N -1 3 291.372 3.045 20 0 CGADHM CC(C)N(C)c1ccccc1CNC(=O)c1ccccc1[O-] ZINC000436888744 528853456 /nfs/dbraw/zinc/85/34/56/528853456.db2.gz ONFKGTYXGSXFBI-UHFFFAOYSA-N -1 3 298.386 3.167 20 0 CGADHM CCC[C@@H](C)[C@@H]1CCCN1C(=O)c1csc(=NCC)[n-]1 ZINC000427118740 528903673 /nfs/dbraw/zinc/90/36/73/528903673.db2.gz AVGUPJIGAQKCEJ-YPMHNXCESA-N -1 3 295.452 3.038 20 0 CGADHM CC(C)[C@H](C(=O)[O-])[C@@H](C)NCc1cc(Cl)ccc1F ZINC000424613802 528930697 /nfs/dbraw/zinc/93/06/97/528930697.db2.gz BSXWAPZLUFLSLP-RNCFNFMXSA-N -1 3 287.762 3.314 20 0 CGADHM CC(C)[C@H](C(=O)[O-])[C@@H](C)NCc1ncc(C(C)(C)C)s1 ZINC000424626618 528931096 /nfs/dbraw/zinc/93/10/96/528931096.db2.gz UIOJVUQYWWYQLX-MFKMUULPSA-N -1 3 298.452 3.276 20 0 CGADHM CCc1cccc(CC)c1NC(=O)NCc1ncccc1[O-] ZINC000344016718 529166799 /nfs/dbraw/zinc/16/67/99/529166799.db2.gz NRZPAGHSWFRGDZ-UHFFFAOYSA-N -1 3 299.374 3.234 20 0 CGADHM CCS[C@@H]1CCCCN(C(=O)c2cc(C)ccc2[O-])C1 ZINC000436718774 529206575 /nfs/dbraw/zinc/20/65/75/529206575.db2.gz MLQJGGQNENOURD-CYBMUJFWSA-N -1 3 293.432 3.448 20 0 CGADHM CCS[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1[O-] ZINC000436728994 529211369 /nfs/dbraw/zinc/21/13/69/529211369.db2.gz OWYKBCFLPVYCGX-TZMCWYRMSA-N -1 3 279.405 3.186 20 0 CGADHM CCS[C@H]1CCCCN(C(=O)c2ccc(C)cc2[O-])C1 ZINC000436543925 529225619 /nfs/dbraw/zinc/22/56/19/529225619.db2.gz HKLIHTQLMGQNFP-ZDUSSCGKSA-N -1 3 293.432 3.448 20 0 CGADHM CCCC[C@H](CC)C(=O)Nc1nc(C)[n-]c1C(=O)OCC ZINC000518639035 534990681 /nfs/dbraw/zinc/99/06/81/534990681.db2.gz OMRDPULSZJQBLW-NSHDSACASA-N -1 3 295.383 3.050 20 0 CGADHM CCCC[C@H](CC)C(=O)Nc1[n-]c(C)nc1C(=O)OCC ZINC000518639035 534990689 /nfs/dbraw/zinc/99/06/89/534990689.db2.gz OMRDPULSZJQBLW-NSHDSACASA-N -1 3 295.383 3.050 20 0 CGADHM CC[C@H]([N-]S(=O)(=O)c1ccc(C)cc1F)C(C)(C)C ZINC000518484190 535928368 /nfs/dbraw/zinc/92/83/68/535928368.db2.gz LDYMCQUZAUXGJV-ZDUSSCGKSA-N -1 3 287.400 3.237 20 0 CGADHM CCc1cc(C(=O)N2C[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)ccc1[O-] ZINC000456081075 536116722 /nfs/dbraw/zinc/11/67/22/536116722.db2.gz KXKOKUWYUATNCT-DEWZPKMOSA-N -1 3 297.398 3.239 20 0 CGADHM COc1ccc(C=Cc2nc(C)cc(=O)[n-]2)cc1Cl ZINC000486120762 536596597 /nfs/dbraw/zinc/59/65/97/536596597.db2.gz GFJOKSVIQJRMEC-GQCTYLIASA-N -1 3 276.723 3.323 20 0 CGADHM CCCC[C@H]1CCC[C@@H]1[N-]C(=O)C(F)(F)C(F)F ZINC000749372531 572993832 /nfs/dbraw/zinc/99/38/32/572993832.db2.gz HUBKVLVMPWPCMX-IUCAKERBSA-N -1 3 269.282 3.362 20 0 CGADHM COc1ccc(NC(=O)C(C)(C)C2CCC2)c([O-])c1 ZINC000451022230 571717860 /nfs/dbraw/zinc/71/78/60/571717860.db2.gz AWUWJDUWOGAVSO-UHFFFAOYSA-N -1 3 263.337 3.166 20 0 CGADHM Fc1cccc(NC/C=C/c2ccccc2)c1-c1nnn[n-]1 ZINC000737665487 571677175 /nfs/dbraw/zinc/67/71/75/571677175.db2.gz QOQBKPMBSJMYQJ-VMPITWQZSA-N -1 3 295.321 3.131 20 0 CGADHM Fc1cccc(NC/C=C/c2ccccc2)c1-c1nn[n-]n1 ZINC000737665487 571677181 /nfs/dbraw/zinc/67/71/81/571677181.db2.gz QOQBKPMBSJMYQJ-VMPITWQZSA-N -1 3 295.321 3.131 20 0 CGADHM O=C([O-])[C@@H](N[C@H]1CCc2ccc(F)cc21)c1ccccc1 ZINC000738521117 571829539 /nfs/dbraw/zinc/82/95/39/571829539.db2.gz MLDSNVWRPPPEGL-HOTGVXAUSA-N -1 3 285.318 3.229 20 0 CGADHM CCc1oc(C(=O)[O-])cc1CN(C)CC1CCCC1 ZINC000521447298 571855589 /nfs/dbraw/zinc/85/55/89/571855589.db2.gz WPPQXAOBWNWCIZ-UHFFFAOYSA-N -1 3 265.353 3.162 20 0 CGADHM COc1cc(C)ccc1NC(=O)c1cc2occc2[n-]1 ZINC000750841829 572329276 /nfs/dbraw/zinc/32/92/76/572329276.db2.gz QTWUGYJSWKRXMQ-UHFFFAOYSA-N -1 3 270.288 3.330 20 0 CGADHM C[C@@H]1CCCC[C@@H]1NC(=S)NCc1ccc([O-])c(F)c1 ZINC000737461015 572345835 /nfs/dbraw/zinc/34/58/35/572345835.db2.gz HBJJDNAAJQKTJT-MFKMUULPSA-N -1 3 296.411 3.074 20 0 CGADHM C[C@@H]1CCCCCN1Cn1[n-]c(C(C)(C)C)nc1=S ZINC000738227818 572367540 /nfs/dbraw/zinc/36/75/40/572367540.db2.gz ZVFDVOYDIRAAPV-LLVKDONJSA-N -1 3 282.457 3.460 20 0 CGADHM O=C([O-])NC[C@H](NCc1ccsc1)C1CCCCC1 ZINC000740615113 572448147 /nfs/dbraw/zinc/44/81/47/572448147.db2.gz VIUZOIYHRGFQLP-ZDUSSCGKSA-N -1 3 282.409 3.054 20 0 CGADHM C[C@H](OC(=O)c1cncc([O-])c1)c1ccc(Cl)cc1 ZINC000732394237 572461953 /nfs/dbraw/zinc/46/19/53/572461953.db2.gz IWZIUVBJVMCNBM-VIFPVBQESA-N -1 3 277.707 3.359 20 0 CGADHM CC[C@H](c1ccc(F)cc1)N1CC[C@H](NC(=O)[O-])[C@@H](C)C1 ZINC000739279529 572541035 /nfs/dbraw/zinc/54/10/35/572541035.db2.gz RPHQZEBEYCEJNO-TUKIKUTGSA-N -1 3 294.370 3.255 20 0 CGADHM C[C@H]1CCC[C@H](C(=O)Nc2n[n-]c(-c3cccs3)n2)C1 ZINC000741683761 572541469 /nfs/dbraw/zinc/54/14/69/572541469.db2.gz PCUPLHZBEJZAJN-UWVGGRQHSA-N -1 3 290.392 3.298 20 0 CGADHM Fc1cccc(CSc2ccccc2-c2nnn[n-]2)c1 ZINC000737660944 572576613 /nfs/dbraw/zinc/57/66/13/572576613.db2.gz LLKYFUZZPBTJCG-UHFFFAOYSA-N -1 3 286.335 3.298 20 0 CGADHM Fc1cccc(CSc2ccccc2-c2nn[n-]n2)c1 ZINC000737660944 572576617 /nfs/dbraw/zinc/57/66/17/572576617.db2.gz LLKYFUZZPBTJCG-UHFFFAOYSA-N -1 3 286.335 3.298 20 0 CGADHM CCCn1cc([N-]c2nc3cc(C)ccc3o2)cn1 ZINC000742419974 572579507 /nfs/dbraw/zinc/57/95/07/572579507.db2.gz YVFZUHUIGWGIQO-UHFFFAOYSA-N -1 3 256.309 3.486 20 0 CGADHM O=C(OCCc1cccnc1)c1cc2ccsc2[n-]1 ZINC000733697495 572596000 /nfs/dbraw/zinc/59/60/00/572596000.db2.gz XJNWQBOOQLOVRA-UHFFFAOYSA-N -1 3 272.329 3.024 20 0 CGADHM CC(C)[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735749758 572739946 /nfs/dbraw/zinc/73/99/46/572739946.db2.gz OSSUMQATZJGBEA-ZDUSSCGKSA-N -1 3 291.786 3.145 20 0 CGADHM CC(C)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735749758 572739949 /nfs/dbraw/zinc/73/99/49/572739949.db2.gz OSSUMQATZJGBEA-ZDUSSCGKSA-N -1 3 291.786 3.145 20 0 CGADHM CC(C)CCCNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735797435 572743121 /nfs/dbraw/zinc/74/31/21/572743121.db2.gz PHLREUSRVFQZJS-UHFFFAOYSA-N -1 3 279.775 3.368 20 0 CGADHM CC(C)CCCNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735797435 572743122 /nfs/dbraw/zinc/74/31/22/572743122.db2.gz PHLREUSRVFQZJS-UHFFFAOYSA-N -1 3 279.775 3.368 20 0 CGADHM CCCCOC(=O)[C@@H](C)OC(=O)c1cc2ccsc2[n-]1 ZINC000744542953 572762085 /nfs/dbraw/zinc/76/20/85/572762085.db2.gz SUSXXEVUYASFPD-SECBINFHSA-N -1 3 295.360 3.118 20 0 CGADHM CCC[C@@H](C)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000736425246 572789179 /nfs/dbraw/zinc/78/91/79/572789179.db2.gz UMPYLAYPSMNNMP-MRVPVSSYSA-N -1 3 299.300 3.486 20 0 CGADHM CCC[C@@H](C)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000736425246 572789183 /nfs/dbraw/zinc/78/91/83/572789183.db2.gz UMPYLAYPSMNNMP-MRVPVSSYSA-N -1 3 299.300 3.486 20 0 CGADHM CCC[C@@H]1CCCC[C@H]1Nc1ncccc1-c1nnn[n-]1 ZINC000736435368 572791321 /nfs/dbraw/zinc/79/13/21/572791321.db2.gz LELSERNTYVLHCT-DGCLKSJQSA-N -1 3 286.383 3.033 20 0 CGADHM CCC[C@@H]1CCCC[C@H]1Nc1ncccc1-c1nn[n-]n1 ZINC000736435368 572791326 /nfs/dbraw/zinc/79/13/26/572791326.db2.gz LELSERNTYVLHCT-DGCLKSJQSA-N -1 3 286.383 3.033 20 0 CGADHM CC(C)[C@@H](C)SCc1cccc(-c2nnn[n-]2)c1 ZINC000820020265 599128948 /nfs/dbraw/zinc/12/89/48/599128948.db2.gz COHXLZVLNYJBJH-SNVBAGLBSA-N -1 3 262.382 3.144 20 0 CGADHM CC(C)[C@@H](C)SCc1cccc(-c2nn[n-]n2)c1 ZINC000820020265 599128951 /nfs/dbraw/zinc/12/89/51/599128951.db2.gz COHXLZVLNYJBJH-SNVBAGLBSA-N -1 3 262.382 3.144 20 0 CGADHM O=C([O-])C[C@H]1CCCN(Cc2cscc2Cl)C1 ZINC000821515672 598151520 /nfs/dbraw/zinc/15/15/20/598151520.db2.gz ISASYAZNJBLVQZ-SECBINFHSA-N -1 3 273.785 3.088 20 0 CGADHM CC(C)[C@@H](NCc1ccc(C(=O)[O-])cc1)c1ccccn1 ZINC000819961683 598180137 /nfs/dbraw/zinc/18/01/37/598180137.db2.gz AGXCSILSSQTKRM-MRXNPFEDSA-N -1 3 284.359 3.267 20 0 CGADHM Clc1ccc(NCc2ccccc2)c(-c2nnn[n-]2)c1 ZINC000737573332 598507128 /nfs/dbraw/zinc/50/71/28/598507128.db2.gz GCXVGZDCSHKTAU-UHFFFAOYSA-N -1 3 285.738 3.132 20 0 CGADHM Clc1ccc(NCc2ccccc2)c(-c2nn[n-]n2)c1 ZINC000737573332 598507131 /nfs/dbraw/zinc/50/71/31/598507131.db2.gz GCXVGZDCSHKTAU-UHFFFAOYSA-N -1 3 285.738 3.132 20 0 CGADHM COc1ccc(-c2nnn[n-]2)cc1CSc1ccccc1 ZINC000821751923 607376636 /nfs/dbraw/zinc/37/66/36/607376636.db2.gz FAIBCLIYGFEVIH-UHFFFAOYSA-N -1 3 298.371 3.168 20 0 CGADHM COc1ccc(-c2nn[n-]n2)cc1CSc1ccccc1 ZINC000821751923 607376638 /nfs/dbraw/zinc/37/66/38/607376638.db2.gz FAIBCLIYGFEVIH-UHFFFAOYSA-N -1 3 298.371 3.168 20 0 CGADHM Cc1ccccc1[C@H](C)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000822345807 599468346 /nfs/dbraw/zinc/46/83/46/599468346.db2.gz RZYLGVMQRCSIAF-NSHDSACASA-N -1 3 297.337 3.487 20 0 CGADHM Cc1ccccc1[C@H](C)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000822345807 599468348 /nfs/dbraw/zinc/46/83/48/599468348.db2.gz RZYLGVMQRCSIAF-NSHDSACASA-N -1 3 297.337 3.487 20 0 CGADHM CCC1(C)CCN(c2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000820955686 599513798 /nfs/dbraw/zinc/51/37/98/599513798.db2.gz FERUYSUOJZXXTH-UHFFFAOYSA-N -1 3 289.358 3.022 20 0 CGADHM CCC1(C)CCN(c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000820955686 599513800 /nfs/dbraw/zinc/51/38/00/599513800.db2.gz FERUYSUOJZXXTH-UHFFFAOYSA-N -1 3 289.358 3.022 20 0 CGADHM O=C([O-])c1ccc(CN2CCC[C@@H]2c2ccco2)cc1 ZINC000263484977 600215258 /nfs/dbraw/zinc/21/52/58/600215258.db2.gz PBZQSPVHCZCCOR-CQSZACIVSA-N -1 3 271.316 3.315 20 0 CGADHM C/C(=C\CN1CCS[C@H](C)[C@H]1c1ccccc1)C(=O)[O-] ZINC000825745599 601055415 /nfs/dbraw/zinc/05/54/15/601055415.db2.gz ANPRWXCITFQSLX-CSPHYMHISA-N -1 3 291.416 3.196 20 0 CGADHM COc1ccc(CN(CCC(=O)[O-])C(C)C)c(Cl)c1 ZINC000832313769 601055768 /nfs/dbraw/zinc/05/57/68/601055768.db2.gz AWYLMAVVLAMRCU-UHFFFAOYSA-N -1 3 285.771 3.034 20 0 CGADHM COc1ccccc1[C@@H]1CCCCN1C/C=C(/C)C(=O)[O-] ZINC000832602872 601165182 /nfs/dbraw/zinc/16/51/82/601165182.db2.gz WRJMUNPRACVXCS-WVUXNXBLSA-N -1 3 289.375 3.253 20 0 CGADHM C/C(=C\CN1CCSC[C@@H]1c1ccc(C)cc1)C(=O)[O-] ZINC000825745889 601168843 /nfs/dbraw/zinc/16/88/43/601168843.db2.gz CWOJYQYWHFNRNL-MYWXAZLQSA-N -1 3 291.416 3.116 20 0 CGADHM CC[C@@](C)(CC(=O)[O-])NCc1csc(C(C)(C)C)n1 ZINC000828672605 601432967 /nfs/dbraw/zinc/43/29/67/601432967.db2.gz UFDMGRGXGDSBRS-AWEZNQCLSA-N -1 3 284.425 3.174 20 0 CGADHM Cc1oc(CN(C)[C@@H](C)Cc2ccsc2)cc1C(=O)[O-] ZINC000833025093 601450325 /nfs/dbraw/zinc/45/03/25/601450325.db2.gz ANZCLBCIUGPTOZ-JTQLQIEISA-N -1 3 293.388 3.411 20 0 CGADHM Cc1cccc2c1CC[C@@H]2NCc1ccc(NC(=O)[O-])nc1 ZINC000830538400 603549750 /nfs/dbraw/zinc/54/97/50/603549750.db2.gz DTNMTUBVNUMDFI-HNNXBMFYSA-N -1 3 297.358 3.257 20 0 CGADHM c1cc(-c2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)co1 ZINC000826512860 607645156 /nfs/dbraw/zinc/64/51/56/607645156.db2.gz RKKYFKFFESLQHN-UHFFFAOYSA-N -1 3 295.327 3.250 20 0 CGADHM c1cc(-c2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)co1 ZINC000826512860 607645158 /nfs/dbraw/zinc/64/51/58/607645158.db2.gz RKKYFKFFESLQHN-UHFFFAOYSA-N -1 3 295.327 3.250 20 0 CGADHM Cc1[n-]n([C@H](C)c2ccc(C(C)C)cc2)c(=O)c1F ZINC000899359698 620664608 /nfs/dbraw/zinc/66/46/08/620664608.db2.gz FLWFQVUROXOOAO-RISCZKNCSA-N -1 3 262.328 3.427 20 0 CGADHM CC(C)N(CCCN[C@@H](C)c1cccnc1Cl)C(=O)[O-] ZINC000825489403 604277192 /nfs/dbraw/zinc/27/71/92/604277192.db2.gz AGBVZAKQCXJFOS-NSHDSACASA-N -1 3 299.802 3.164 20 0 CGADHM CCc1ccc(CN(Cc2c[nH]c(C(=O)[O-])c2)C2CC2)cc1 ZINC000833669938 604532627 /nfs/dbraw/zinc/53/26/27/604532627.db2.gz ILULTMHQBWEHNV-UHFFFAOYSA-N -1 3 298.386 3.440 20 0 CGADHM CN(Cc1cc2ccccc2s1)C(C)(C)C(=O)[O-] ZINC000833694641 604627784 /nfs/dbraw/zinc/62/77/84/604627784.db2.gz XASWSQLOYBOHCJ-UHFFFAOYSA-N -1 3 263.362 3.196 20 0 CGADHM Cc1ccc([C@@H](C)N[C@H](C(=O)[O-])c2cccnc2)cc1C ZINC000832920794 604997553 /nfs/dbraw/zinc/99/75/53/604997553.db2.gz HGLQGNCFXKFRJN-CJNGLKHVSA-N -1 3 284.359 3.175 20 0 CGADHM CC(C)[C@H]1c2ccccc2CCN1Cc1ccc(C(=O)[O-])[nH]1 ZINC000833474540 605109077 /nfs/dbraw/zinc/10/90/77/605109077.db2.gz YNNKHFVUVLDBHQ-KRWDZBQOSA-N -1 3 298.386 3.468 20 0 CGADHM CC1(CN[C@@H](C(=O)[O-])c2c(F)cccc2Cl)CCC1 ZINC000833566085 605361695 /nfs/dbraw/zinc/36/16/95/605361695.db2.gz NGFHOXXUCHWCNS-GFCCVEGCSA-N -1 3 285.746 3.385 20 0 CGADHM CC1=C(C(=O)[O-])C[C@@H](CN[C@@H](C)c2ccccc2Cl)O1 ZINC000833576454 605384765 /nfs/dbraw/zinc/38/47/65/605384765.db2.gz APMKAJAPNFKXFS-ONGXEEELSA-N -1 3 295.766 3.138 20 0 CGADHM Cc1csc([C@H](C)N[C@H](C)C[C@H]2CCCN2C(=O)[O-])n1 ZINC000830655691 605498142 /nfs/dbraw/zinc/49/81/42/605498142.db2.gz VHODJWVSQPTUAA-ADEWGFFLSA-N -1 3 297.424 3.023 20 0 CGADHM CCC1(CNc2cc(-c3nnn[n-]3)c3ccccc3n2)CC1 ZINC000820962334 606428461 /nfs/dbraw/zinc/42/84/61/606428461.db2.gz OVEWFVVREFEFBO-UHFFFAOYSA-N -1 3 294.362 3.017 20 0 CGADHM CCC1(CNc2cc(-c3nn[n-]n3)c3ccccc3n2)CC1 ZINC000820962334 606428463 /nfs/dbraw/zinc/42/84/63/606428463.db2.gz OVEWFVVREFEFBO-UHFFFAOYSA-N -1 3 294.362 3.017 20 0 CGADHM Cc1cccc(Cl)c1NCc1ccc(-c2nnn[n-]2)cc1 ZINC000822304319 606638895 /nfs/dbraw/zinc/63/88/95/606638895.db2.gz SRAMBNSANGXZFI-UHFFFAOYSA-N -1 3 299.765 3.441 20 0 CGADHM Cc1cccc(Cl)c1NCc1ccc(-c2nn[n-]n2)cc1 ZINC000822304319 606638896 /nfs/dbraw/zinc/63/88/96/606638896.db2.gz SRAMBNSANGXZFI-UHFFFAOYSA-N -1 3 299.765 3.441 20 0 CGADHM CC(C)N(Cc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000820121288 606669291 /nfs/dbraw/zinc/66/92/91/606669291.db2.gz OTCJLIOMJSRUDX-UHFFFAOYSA-N -1 3 293.374 3.282 20 0 CGADHM CC(C)N(Cc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000820121288 606669292 /nfs/dbraw/zinc/66/92/92/606669292.db2.gz OTCJLIOMJSRUDX-UHFFFAOYSA-N -1 3 293.374 3.282 20 0 CGADHM CCCC[C@H](Nc1ccc(-c2nnn[n-]2)cn1)C1CCC1 ZINC000821043474 606804538 /nfs/dbraw/zinc/80/45/38/606804538.db2.gz QHYFPBWMLQHIBD-ZDUSSCGKSA-N -1 3 286.383 3.033 20 0 CGADHM CCCC[C@H](Nc1ccc(-c2nn[n-]n2)cn1)C1CCC1 ZINC000821043474 606804540 /nfs/dbraw/zinc/80/45/40/606804540.db2.gz QHYFPBWMLQHIBD-ZDUSSCGKSA-N -1 3 286.383 3.033 20 0 CGADHM Fc1ccc(-c2nn[n-]n2)c(CSc2ccccc2)c1 ZINC000822758747 607038805 /nfs/dbraw/zinc/03/88/05/607038805.db2.gz XNXFQDZHHKHZSP-UHFFFAOYSA-N -1 3 286.335 3.298 20 0 CGADHM Fc1ccc(-c2nnn[n-]2)c(CSc2ccccc2)c1 ZINC000822758747 607038804 /nfs/dbraw/zinc/03/88/04/607038804.db2.gz XNXFQDZHHKHZSP-UHFFFAOYSA-N -1 3 286.335 3.298 20 0 CGADHM Cc1ccccc1CNc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822362560 607124296 /nfs/dbraw/zinc/12/42/96/607124296.db2.gz YLEUFSBNYYERMD-UHFFFAOYSA-N -1 3 299.765 3.441 20 0 CGADHM Nc1ccc(C(=O)Nc2ccc(Cl)cc2F)c([O-])c1 ZINC000142680432 617847042 /nfs/dbraw/zinc/84/70/42/617847042.db2.gz NHCFJLSUUOWRSE-UHFFFAOYSA-N -1 3 280.686 3.019 20 0 CGADHM Cc1oc(C(=O)[O-])cc1CN[C@@H](C)c1ccc(C)cc1 ZINC000235526098 617901451 /nfs/dbraw/zinc/90/14/51/617901451.db2.gz BLBDIKOJMWPFFY-NSHDSACASA-N -1 3 273.332 3.445 20 0 CGADHM Cc1ccc2c(c1)CCN2C(=O)c1cccc(C)c1[O-] ZINC000091104176 618482661 /nfs/dbraw/zinc/48/26/61/618482661.db2.gz QNLCRFKTBJGIPC-UHFFFAOYSA-N -1 3 267.328 3.212 20 0 CGADHM CC1=C(C)C[C@@](C)(C(=O)[N-]OCC(F)(F)F)CC1 ZINC000934901793 618710624 /nfs/dbraw/zinc/71/06/24/618710624.db2.gz QDLFJFNIBCQOSZ-NSHDSACASA-N -1 3 265.275 3.123 20 0 CGADHM O=C(/C=C\Sc1ccccc1)Nc1ncccc1[O-] ZINC000255640032 618770960 /nfs/dbraw/zinc/77/09/60/618770960.db2.gz MXBFODRQLGHFIN-NTMALXAHSA-N -1 3 272.329 3.032 20 0 CGADHM C[C@@H](N[C@H](C)c1cc([O-])cc(F)c1)c1cscn1 ZINC000926692506 618825061 /nfs/dbraw/zinc/82/50/61/618825061.db2.gz NDNTUQGOFRAMRF-RKDXNWHRSA-N -1 3 266.341 3.400 20 0 CGADHM O=C(NCCSC(F)(F)F)c1cc([O-])ccc1Cl ZINC000236632824 618927529 /nfs/dbraw/zinc/92/75/29/618927529.db2.gz TYEZDXRRTBHBSQ-UHFFFAOYSA-N -1 3 299.701 3.028 20 0 CGADHM Cc1[n-]n(Cc2cccc(Cl)c2)c(=O)c1C(C)C ZINC000103893732 619120365 /nfs/dbraw/zinc/12/03/65/619120365.db2.gz KPYBQMMLVBTBRI-CYBMUJFWSA-N -1 3 264.756 3.330 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)CC1CC(OC(C)(C)C)C1 ZINC000794844036 619775973 /nfs/dbraw/zinc/77/59/73/619775973.db2.gz WIMPXANFQGAQGP-PNESKVBLSA-N -1 3 271.401 3.064 20 0 CGADHM CC(C)CCCCCC(=O)[N-]OCc1ccccn1 ZINC000909535860 620071986 /nfs/dbraw/zinc/07/19/86/620071986.db2.gz OTXPEVNJFXHEDK-UHFFFAOYSA-N -1 3 264.369 3.236 20 0 CGADHM C[C@H](OC(=O)c1cc(Cl)c(Cl)[n-]1)c1cnccn1 ZINC000751156174 620137084 /nfs/dbraw/zinc/13/70/84/620137084.db2.gz LANMYYZIIRRNSD-LURJTMIESA-N -1 3 286.118 3.030 20 0 CGADHM C[C@@H]1C[C@@H](NCc2cccc(C(=O)[O-])c2)c2ccccc2O1 ZINC000263399971 620315836 /nfs/dbraw/zinc/31/58/36/620315836.db2.gz HSSXAONYOJIFSA-MLGOLLRUSA-N -1 3 297.354 3.387 20 0 CGADHM C[C@@H](CN(C)Cc1c(Cl)oc2ccccc21)C(=O)[O-] ZINC000263462636 620320798 /nfs/dbraw/zinc/32/07/98/620320798.db2.gz CCKSGLODSQWKAJ-VIFPVBQESA-N -1 3 281.739 3.239 20 0 CGADHM C[C@@H]1CC[C@H](C(=O)[O-])CN1Cc1sccc1Cl ZINC000263526042 620324175 /nfs/dbraw/zinc/32/41/75/620324175.db2.gz UDALUPAWNRREKP-BDAKNGLRSA-N -1 3 273.785 3.087 20 0 CGADHM Cc1nonc1[N-]C(=O)c1cc2cccc(Cl)c2o1 ZINC000041331807 620559672 /nfs/dbraw/zinc/55/96/72/620559672.db2.gz SFCKPZFRNODJOJ-UHFFFAOYSA-N -1 3 277.667 3.030 20 0 CGADHM Cc1cccc(CO[N-]C(=O)C2(C)CCCCCC2)n1 ZINC000898932411 620610395 /nfs/dbraw/zinc/61/03/95/620610395.db2.gz LUTAHTGAPIPADX-UHFFFAOYSA-N -1 3 276.380 3.298 20 0 CGADHM CC(C)(C)c1csc(CNCCC(C)(C)C(=O)[O-])n1 ZINC000901481745 620892688 /nfs/dbraw/zinc/89/26/88/620892688.db2.gz PKBWOWYZMLIVTK-UHFFFAOYSA-N -1 3 284.425 3.031 20 0 CGADHM CC(C)c1c[nH]c(C=Cc2cc(=O)[n-]c(C3CC3)n2)n1 ZINC000901506401 620905690 /nfs/dbraw/zinc/90/56/90/620905690.db2.gz LSKMUVFFYVNVQF-WAYWQWQTSA-N -1 3 270.336 3.077 20 0 CGADHM Cc1ncc(CN[C@H](CCC(=O)[O-])c2ccccc2)s1 ZINC000901651376 620967086 /nfs/dbraw/zinc/96/70/86/620967086.db2.gz OEQCCTCHTNUIRI-CQSZACIVSA-N -1 3 290.388 3.147 20 0 CGADHM COC[C@H](SCc1nc(C)cc(=O)[n-]1)c1ccccc1 ZINC000901661664 620970790 /nfs/dbraw/zinc/97/07/90/620970790.db2.gz HGSJZYXRNBBMRK-ZDUSSCGKSA-N -1 3 290.388 3.112 20 0 CGADHM Cc1sccc1CN[C@H](C(=O)[O-])c1ccc(F)c(C)c1 ZINC000901843106 621044432 /nfs/dbraw/zinc/04/44/32/621044432.db2.gz NSSYCCAWGIGJHO-AWEZNQCLSA-N -1 3 293.363 3.420 20 0 CGADHM Cc1cc(CN2CC3(CCC3)[C@](F)(C(=O)[O-])C2)c(C)s1 ZINC000901909898 621067367 /nfs/dbraw/zinc/06/73/67/621067367.db2.gz FFVSPSLEZAWNQF-OAHLLOKOSA-N -1 3 297.395 3.144 20 0 CGADHM C[C@@H]1CCCC[C@H]1OCCNCc1csc(C(=O)[O-])c1 ZINC000902123512 621162270 /nfs/dbraw/zinc/16/22/70/621162270.db2.gz WQOUBFVNBWLHGI-DGCLKSJQSA-N -1 3 297.420 3.131 20 0 CGADHM COC[C@H](N[C@@H](C)CC(C)(C)CC(=O)[O-])c1ccc(C)o1 ZINC000902271738 621235968 /nfs/dbraw/zinc/23/59/68/621235968.db2.gz KVUBALVKIYRBAM-AAEUAGOBSA-N -1 3 297.395 3.145 20 0 CGADHM Cc1cc(=O)[n-]c(CSC[C@H]2CCC3(CCC3)CO2)n1 ZINC000902341261 621253468 /nfs/dbraw/zinc/25/34/68/621253468.db2.gz BHJCUUSBUNYDMQ-GFCCVEGCSA-N -1 3 294.420 3.073 20 0 CGADHM O=C([O-])c1cc(CN2CCCC3(C2)CCCCCC3)on1 ZINC000902341650 621254557 /nfs/dbraw/zinc/25/45/57/621254557.db2.gz GUPWDZYCYRYHDW-UHFFFAOYSA-N -1 3 292.379 3.309 20 0 CGADHM O=C([O-])c1csc(CN2CCC=C(c3ccco3)C2)c1 ZINC000902459355 621335825 /nfs/dbraw/zinc/33/58/25/621335825.db2.gz NOCVSLIKFZYAHH-UHFFFAOYSA-N -1 3 289.356 3.329 20 0 CGADHM CC(C)(CCNC1(c2c(F)cccc2F)CCC1)C(=O)[O-] ZINC000902493338 621344074 /nfs/dbraw/zinc/34/40/74/621344074.db2.gz YJFZPKTUUIPMQL-UHFFFAOYSA-N -1 3 297.345 3.435 20 0 CGADHM C[C@H](N[C@@H](C)c1cccc([O-])c1F)c1cncs1 ZINC000903304659 621678834 /nfs/dbraw/zinc/67/88/34/621678834.db2.gz BKZFBRUJAKFSOS-IUCAKERBSA-N -1 3 266.341 3.400 20 0 CGADHM C=C/C=C/CCN1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC000903606254 621770378 /nfs/dbraw/zinc/77/03/78/621770378.db2.gz IHXMGAZDWZELMZ-ONEGZZNKSA-N -1 3 275.323 3.014 20 0 CGADHM C[C@@H]1CCC[C@H]([C@@H](CNCc2cscn2)CC(=O)[O-])C1 ZINC000904033111 621856568 /nfs/dbraw/zinc/85/65/68/621856568.db2.gz QRCLBYBENYVJEZ-FRRDWIJNSA-N -1 3 296.436 3.150 20 0 CGADHM Cc1cccc([C@H](CC(=O)[O-])NCc2ccsc2)c1 ZINC000904043281 621858541 /nfs/dbraw/zinc/85/85/41/621858541.db2.gz RFZJDRHEWOTHKP-AWEZNQCLSA-N -1 3 275.373 3.362 20 0 CGADHM O=C([O-])c1cccc(CN[C@@H](c2ccncc2)C2CC2)c1 ZINC000904272565 621896504 /nfs/dbraw/zinc/89/65/04/621896504.db2.gz GTJWGSIRXAYBRQ-MRXNPFEDSA-N -1 3 282.343 3.021 20 0 CGADHM [O-]c1cc(-c2cnn([C@@H]3CCCCO3)c2)ccc1F ZINC000904810919 621986293 /nfs/dbraw/zinc/98/62/93/621986293.db2.gz RYKMZTXSPYDWHI-AWEZNQCLSA-N -1 3 262.284 3.094 20 0 CGADHM CCc1oc(CN2CCC(CSC)CC2)cc1C(=O)[O-] ZINC000905737761 622102805 /nfs/dbraw/zinc/10/28/05/622102805.db2.gz KKAYGYWHBJYBMH-UHFFFAOYSA-N -1 3 297.420 3.115 20 0 CGADHM CC1(C)C(C)(C)C1(C)NCc1ccc(/C=C\C(=O)[O-])o1 ZINC000905810208 622113098 /nfs/dbraw/zinc/11/30/98/622113098.db2.gz IHSKQNMDMSMGMC-HJWRWDBZSA-N -1 3 277.364 3.292 20 0 CGADHM Cc1ccc2ncc(C(=O)[O-])c(N3CC[C@@H](CF)C3)c2c1 ZINC000906147950 622161719 /nfs/dbraw/zinc/16/17/19/622161719.db2.gz CSSRQLPFYRJJIR-NSHDSACASA-N -1 3 288.322 3.037 20 0 CGADHM O=C(CCCC(=O)c1ccccc1)[N-]OC1CCCCC1 ZINC000907544958 622301283 /nfs/dbraw/zinc/30/12/83/622301283.db2.gz XEYJYMQUJLXQCH-UHFFFAOYSA-N -1 3 289.375 3.420 20 0 CGADHM Cc1sc([N-]C(=O)c2nnc(C3CC3)o2)nc1C(C)C ZINC000912291852 622627478 /nfs/dbraw/zinc/62/74/78/622627478.db2.gz DYZCWKKYDRPZQI-UHFFFAOYSA-N -1 3 292.364 3.088 20 0 CGADHM CCO[N-]C(=O)CCCOc1ccc(Cl)cc1Cl ZINC000058444485 622928039 /nfs/dbraw/zinc/92/80/39/622928039.db2.gz DXVOEQNDMZXMFD-UHFFFAOYSA-N -1 3 292.162 3.220 20 0 CGADHM Cc1ccc(C(=O)Nc2cnc(Cl)c(C)c2)c([O-])c1 ZINC000228070970 623038673 /nfs/dbraw/zinc/03/86/73/623038673.db2.gz IWPHFGKMRJVKFP-UHFFFAOYSA-N -1 3 276.723 3.310 20 0 CGADHM C[C@H](OC(=O)c1cc(F)cc(Cl)c1[O-])c1ccncc1 ZINC000757711131 623481985 /nfs/dbraw/zinc/48/19/85/623481985.db2.gz BHBRVCJNXFRWFP-QMMMGPOBSA-N -1 3 295.697 3.498 20 0 CGADHM CC(C)(C)NC(=S)Nc1ccc(Cl)cc1[O-] ZINC000753904052 623677596 /nfs/dbraw/zinc/67/75/96/623677596.db2.gz VZRFBZFNWSWNQU-UHFFFAOYSA-N -1 3 258.774 3.131 20 0 CGADHM CC(C)Oc1cccc(CNC(=O)c2ccccc2[O-])c1 ZINC000916491997 624166032 /nfs/dbraw/zinc/16/60/32/624166032.db2.gz QBLFWDDSHCLOPF-UHFFFAOYSA-N -1 3 285.343 3.109 20 0 CGADHM Cc1ccc(C(=O)Nc2ccc(N(C)C)cc2)c([O-])c1 ZINC000033816377 624418071 /nfs/dbraw/zinc/41/80/71/624418071.db2.gz MGDFCTKCDAKSPN-UHFFFAOYSA-N -1 3 270.332 3.019 20 0 CGADHM CC/C=C/CCO[N-]C(=O)CCCc1ccccc1 ZINC000184430476 625235070 /nfs/dbraw/zinc/23/50/70/625235070.db2.gz AWGHVTPFAOZAQX-ONEGZZNKSA-N -1 3 261.365 3.413 20 0 CGADHM C[C@@H]1CCC[C@@H]1CC(=O)[N-]OCc1ccc(F)cc1 ZINC000184793234 625270758 /nfs/dbraw/zinc/27/07/58/625270758.db2.gz UKUKRIZPZNFZQN-DGCLKSJQSA-N -1 3 265.328 3.200 20 0 CGADHM C/C(=C\c1ccccc1)CN(C)Cc1nc(C)cc(=O)[n-]1 ZINC000755193842 626605936 /nfs/dbraw/zinc/60/59/36/626605936.db2.gz HAXIEYWZLSMKQN-UKTHLTGXSA-N -1 3 283.375 3.026 20 0 CGADHM CC(C)c1csc([N-]C(=O)c2cc(Cl)no2)n1 ZINC000874148782 634520109 /nfs/dbraw/zinc/52/01/09/634520109.db2.gz MOXHIFPQYKRRCK-UHFFFAOYSA-N -1 3 271.729 3.160 20 0 CGADHM C/C(=C\c1ccc(Cl)cc1)C(=O)[N-]OCC(F)(F)F ZINC000759612779 626909200 /nfs/dbraw/zinc/90/92/00/626909200.db2.gz DPWYHDWTJGQHNW-SOFGYWHQSA-N -1 3 293.672 3.353 20 0 CGADHM Cc1cc(=O)[n-]c(CSc2ccnc3ccccc32)n1 ZINC000761863374 627068797 /nfs/dbraw/zinc/06/87/97/627068797.db2.gz HAHZQGCYVVUSLS-UHFFFAOYSA-N -1 3 283.356 3.331 20 0 CGADHM Cc1ccc(-c2cc(C(=O)OCc3cnccc3C)n[n-]2)o1 ZINC000762122339 627091704 /nfs/dbraw/zinc/09/17/04/627091704.db2.gz VOTBJIZCYSLORB-UHFFFAOYSA-N -1 3 297.314 3.039 20 0 CGADHM Cc1ccc(-c2cc(C(=O)OCc3cnccc3C)[n-]n2)o1 ZINC000762122339 627091708 /nfs/dbraw/zinc/09/17/08/627091708.db2.gz VOTBJIZCYSLORB-UHFFFAOYSA-N -1 3 297.314 3.039 20 0 CGADHM C/C(=C\C(=O)Nc1cc(F)ccc1[O-])C(C)(C)C ZINC000762820076 627126101 /nfs/dbraw/zinc/12/61/01/627126101.db2.gz YPZHDFPTLOEQPG-VQHVLOKHSA-N -1 3 251.301 3.462 20 0 CGADHM Cc1ccc(-c2cc(C(=O)O[C@@H](C)C(C)C)n[n-]2)o1 ZINC000763548458 627166410 /nfs/dbraw/zinc/16/64/10/627166410.db2.gz OBQWPSNJBNXTPX-JTQLQIEISA-N -1 3 262.309 3.179 20 0 CGADHM Cc1ccc(-c2cc(C(=O)O[C@@H](C)C(C)C)[n-]n2)o1 ZINC000763548458 627166413 /nfs/dbraw/zinc/16/64/13/627166413.db2.gz OBQWPSNJBNXTPX-JTQLQIEISA-N -1 3 262.309 3.179 20 0 CGADHM Cc1cc(Br)ccc1C=Cc1nccc(=O)[n-]1 ZINC000764436336 627206931 /nfs/dbraw/zinc/20/69/31/627206931.db2.gz SFKVFSJLIREOEV-HYXAFXHYSA-N -1 3 291.148 3.424 20 0 CGADHM CCOc1ccc(C=Cc2nccc(=O)[n-]2)cc1OCC ZINC000764435811 627207659 /nfs/dbraw/zinc/20/76/59/627207659.db2.gz QDFXMPITMJKWTI-VURMDHGXSA-N -1 3 286.331 3.150 20 0 CGADHM O=C(OCc1ccc(C(F)(F)F)cn1)c1ccc([O-])cc1 ZINC000768375840 627477120 /nfs/dbraw/zinc/47/71/20/627477120.db2.gz INZJSMCEHOJMRX-UHFFFAOYSA-N -1 3 297.232 3.163 20 0 CGADHM CC(C)(C)CC(=O)COC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000805384306 627542229 /nfs/dbraw/zinc/54/22/29/627542229.db2.gz CAHXMISYBXKIAG-UHFFFAOYSA-N -1 3 292.162 3.484 20 0 CGADHM CCCc1ncc(C(=O)[N-]c2nc(C(C)C)ns2)s1 ZINC000874695095 634593861 /nfs/dbraw/zinc/59/38/61/634593861.db2.gz JPLOPOBUHBRNQG-UHFFFAOYSA-N -1 3 296.421 3.323 20 0 CGADHM Cc1cnc(COC(=O)c2cc(Cl)c(Cl)[n-]2)s1 ZINC000771897370 627742957 /nfs/dbraw/zinc/74/29/57/627742957.db2.gz HUQQMQJSVGLYCP-UHFFFAOYSA-N -1 3 291.159 3.443 20 0 CGADHM C[C@@H]1COCC[C@@H]1OC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000835771581 634625211 /nfs/dbraw/zinc/62/52/11/634625211.db2.gz OCZYDINTQZCAAX-XCBNKYQSSA-N -1 3 299.779 3.465 20 0 CGADHM C[C@@H](OC(=O)c1cccc(Cl)c1[O-])c1cccnc1 ZINC000775933188 628150553 /nfs/dbraw/zinc/15/05/53/628150553.db2.gz HWQLGGVUFMWYKL-SECBINFHSA-N -1 3 277.707 3.359 20 0 CGADHM Cc1noc(C)c1COC(=O)c1cccc(Cl)c1[O-] ZINC000775936289 628151129 /nfs/dbraw/zinc/15/11/29/628151129.db2.gz XENQGHCDXYEKAS-UHFFFAOYSA-N -1 3 281.695 3.007 20 0 CGADHM O=C(OCCC(F)(F)F)c1cccc(Cl)c1[O-] ZINC000775936161 628151421 /nfs/dbraw/zinc/15/14/21/628151421.db2.gz UNLWGSPZJPVNJK-UHFFFAOYSA-N -1 3 268.618 3.155 20 0 CGADHM Cc1cc(C)cc(OCCC(=O)[N-]OC2CCCCC2)c1 ZINC000777960461 628314585 /nfs/dbraw/zinc/31/45/85/628314585.db2.gz WTQXACNBGINGDS-UHFFFAOYSA-N -1 3 291.391 3.453 20 0 CGADHM C[C@@H]1CC[C@@H](OC(=O)c2cc(-c3ccco3)[n-]n2)C1 ZINC000779257161 628397542 /nfs/dbraw/zinc/39/75/42/628397542.db2.gz BPCVXISWTJSXRQ-NXEZZACHSA-N -1 3 260.293 3.015 20 0 CGADHM C[C@@H]1CC[C@@H](OC(=O)c2cc(-c3ccco3)n[n-]2)C1 ZINC000779257161 628397544 /nfs/dbraw/zinc/39/75/44/628397544.db2.gz BPCVXISWTJSXRQ-NXEZZACHSA-N -1 3 260.293 3.015 20 0 CGADHM O=C1[N-]C(=O)C(=Cc2cc(Cl)ccc2Cl)S1 ZINC000874929196 634653846 /nfs/dbraw/zinc/65/38/46/634653846.db2.gz VUYFHXYDUFOZOJ-YWEYNIOJSA-N -1 3 274.128 3.317 20 0 CGADHM Cc1cc(=O)[n-]c(CSCc2c(F)cccc2F)n1 ZINC000779778107 628429201 /nfs/dbraw/zinc/42/92/01/628429201.db2.gz URVYOAWEGKERAF-UHFFFAOYSA-N -1 3 282.315 3.202 20 0 CGADHM CCOC(=O)c1ccc(NC(=O)/C(C)=C(/C)CC)c([O-])c1 ZINC000780994239 628528838 /nfs/dbraw/zinc/52/88/38/628528838.db2.gz RJEFOIRYXVGXII-KHPPLWFESA-N -1 3 291.347 3.254 20 0 CGADHM C[C@@H]1C[C@@H](CO[N-]C(=O)CCC2CCCCC2)CCO1 ZINC000783025957 628673547 /nfs/dbraw/zinc/67/35/47/628673547.db2.gz CNEHBOTVLAQIIR-HIFRSBDPSA-N -1 3 283.412 3.210 20 0 CGADHM Cc1cc(C=Cc2nccc(=O)[n-]2)cc2cccnc12 ZINC000783711473 628742587 /nfs/dbraw/zinc/74/25/87/628742587.db2.gz YNJOUWDTFLTQDW-SNAWJCMRSA-N -1 3 263.300 3.209 20 0 CGADHM CC(C)[C@H](F)C(=O)Nc1cc(Br)ccc1[O-] ZINC000784456647 628815129 /nfs/dbraw/zinc/81/51/29/628815129.db2.gz XEYAGTFLVZYUQV-JTQLQIEISA-N -1 3 290.132 3.087 20 0 CGADHM O=C([N-]OC1CCCC1)C1(Cc2ccccc2F)CC1 ZINC000785596492 628872911 /nfs/dbraw/zinc/87/29/11/628872911.db2.gz DTTWEMQWUHIXQZ-UHFFFAOYSA-N -1 3 277.339 3.139 20 0 CGADHM Cc1ccc(C(=O)COC(=O)c2cc3occc3[n-]2)cc1C ZINC000786027337 628907772 /nfs/dbraw/zinc/90/77/72/628907772.db2.gz AZGZLZXPDPOSCJ-UHFFFAOYSA-N -1 3 297.310 3.417 20 0 CGADHM O=C(OCc1ccnc(Cl)c1)c1cc2occc2[n-]1 ZINC000786031025 628908570 /nfs/dbraw/zinc/90/85/70/628908570.db2.gz GQCHQKXNQDUOJB-UHFFFAOYSA-N -1 3 276.679 3.166 20 0 CGADHM C[C@@H](OC(=O)c1cc2occc2[n-]1)c1ccncc1 ZINC000786030463 628908988 /nfs/dbraw/zinc/90/89/88/628908988.db2.gz QYHZDGZGTTYJRA-SECBINFHSA-N -1 3 256.261 3.074 20 0 CGADHM CC(C)(C)c1cnc(COC(=O)c2cc3occc3[n-]2)o1 ZINC000786032619 628909056 /nfs/dbraw/zinc/90/90/56/628909056.db2.gz KNRQEZJNQIEPRV-UHFFFAOYSA-N -1 3 288.303 3.403 20 0 CGADHM CCCCCC[C@@H](C)NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000788277208 629044707 /nfs/dbraw/zinc/04/47/07/629044707.db2.gz FJUWRFOZHYJEGJ-SNVBAGLBSA-N -1 3 292.358 3.186 20 0 CGADHM C[C@H](NC(=O)c1cc([O-])c2ccccc2c1)C1CCC1 ZINC000792273966 629353536 /nfs/dbraw/zinc/35/35/36/629353536.db2.gz CQHUKKPSDULSNC-NSHDSACASA-N -1 3 269.344 3.464 20 0 CGADHM CC1(C)CN(C(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000792491226 629362495 /nfs/dbraw/zinc/36/24/95/629362495.db2.gz ISQJPWJSKLZFJG-UHFFFAOYSA-N -1 3 255.317 3.027 20 0 CGADHM O=C1[N-]C(=O)/C(=C/c2ccc3occc3c2)c2ccccc21 ZINC000794698160 629569085 /nfs/dbraw/zinc/56/90/85/629569085.db2.gz NNIJLEDCQHFHKP-XNTDXEJSSA-N -1 3 289.290 3.243 20 0 CGADHM CCO[C@@H](CO[N-]C(=O)CCC1CCCCC1)C1CC1 ZINC000863456867 629575835 /nfs/dbraw/zinc/57/58/35/629575835.db2.gz LYLJHPNQRSFYEF-HNNXBMFYSA-N -1 3 283.412 3.210 20 0 CGADHM CCCCCCN1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC000863473676 629581503 /nfs/dbraw/zinc/58/15/03/629581503.db2.gz VGARRRHWYVETEQ-UHFFFAOYSA-N -1 3 279.355 3.462 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)CCc1ccc(OC)c(Cl)c1 ZINC000794843988 629586779 /nfs/dbraw/zinc/58/67/79/629586779.db2.gz UMFWZMKKHLJUPV-NSHDSACASA-N -1 3 299.798 3.375 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)Cc1c[nH]c2cccc(C)c12 ZINC000794844351 629587118 /nfs/dbraw/zinc/58/71/18/629587118.db2.gz ZCRBZXRPJQUIGC-NSHDSACASA-N -1 3 274.364 3.113 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)C[C@H](C)c1ccccc1F ZINC000794851664 629587603 /nfs/dbraw/zinc/58/76/03/629587603.db2.gz HCPYGFHUQKPZEQ-NEPJUHHUSA-N -1 3 267.344 3.413 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)Cc1coc2ccccc12 ZINC000794851688 629587846 /nfs/dbraw/zinc/58/78/46/629587846.db2.gz HTRWISNCQVBQRS-LLVKDONJSA-N -1 3 261.321 3.069 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)CCCOc1cccc(C)c1 ZINC000794851773 629588386 /nfs/dbraw/zinc/58/83/86/629588386.db2.gz LPLCHINIXZXLLF-ZDUSSCGKSA-N -1 3 279.380 3.248 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)C[C@@H](C)C(=O)c1cccc(F)c1 ZINC000794868832 629592095 /nfs/dbraw/zinc/59/20/95/629592095.db2.gz FROYEBRPWWTEKL-VXGBXAGGSA-N 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3 271.295 3.073 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2cnc(Cl)c(C)c2)n1 ZINC000806572631 630567792 /nfs/dbraw/zinc/56/77/92/630567792.db2.gz LJCMBBRYRFRJRW-ARJAWSKDSA-N -1 3 261.712 3.018 20 0 CGADHM C[C@@]1(CCNC(=O)c2ccccc2[O-])CC1(Cl)Cl ZINC000836916640 634827041 /nfs/dbraw/zinc/82/70/41/634827041.db2.gz SCDNFZNOPLJRGC-GFCCVEGCSA-N -1 3 288.174 3.096 20 0 CGADHM O=C(OCC1(O)CCCC1)c1cc2cc(Cl)sc2[n-]1 ZINC000810635981 630913237 /nfs/dbraw/zinc/91/32/37/630913237.db2.gz JYTMMGNIZMNFPW-UHFFFAOYSA-N -1 3 299.779 3.345 20 0 CGADHM O=C(COC(=O)c1cc2cc(Cl)sc2[n-]1)CC1CC1 ZINC000811393811 631061394 /nfs/dbraw/zinc/06/13/94/631061394.db2.gz SIMUFJPZHDWXQK-UHFFFAOYSA-N -1 3 297.763 3.409 20 0 CGADHM Cc1c([O-])ccc2c(CSCC3CC3)cc(=O)oc12 ZINC000812253503 631231911 /nfs/dbraw/zinc/23/19/11/631231911.db2.gz QWAWPZRBCYCFNU-UHFFFAOYSA-N -1 3 276.357 3.450 20 0 CGADHM Cc1ccsc1CCCC(=O)[N-]OC/C=C/Cl ZINC000812406694 631247811 /nfs/dbraw/zinc/24/78/11/631247811.db2.gz CSECAWHFKLHCGJ-XVNBXDOJSA-N -1 3 273.785 3.180 20 0 CGADHM Cc1ccc(CCC(=O)[N-]OCCOC(C)C)cc1Cl ZINC000812809458 631318070 /nfs/dbraw/zinc/31/80/70/631318070.db2.gz YUVVNJKDTHGSLR-UHFFFAOYSA-N -1 3 299.798 3.054 20 0 CGADHM [O-]c1cccc(CNC[C@@H](O)c2ccccc2F)c1Cl ZINC000815118824 631721268 /nfs/dbraw/zinc/72/12/68/631721268.db2.gz RTIHBGYIDAKMFH-CQSZACIVSA-N -1 3 295.741 3.008 20 0 CGADHM CO[C@H](COC(=O)c1cc2cc(Cl)sc2[n-]1)C1CC1 ZINC000816374570 631940804 /nfs/dbraw/zinc/94/08/04/631940804.db2.gz HVDXDSOAJCBYQW-SNVBAGLBSA-N -1 3 299.779 3.465 20 0 CGADHM [O-]c1ccc(F)c(CN2CCC3(CCCC3)C2)c1F ZINC000816509495 631998032 /nfs/dbraw/zinc/99/80/32/631998032.db2.gz RZEQRKZLGCOYIE-UHFFFAOYSA-N -1 3 267.319 3.437 20 0 CGADHM O=C(c1cc([O-])c2ccccc2c1)N1CC[C@H]1C(F)(F)F ZINC000816662034 632039982 /nfs/dbraw/zinc/03/99/82/632039982.db2.gz GCVRZJKOUCUMDJ-ZDUSSCGKSA-N -1 3 295.260 3.322 20 0 CGADHM O=C(NCC1CC(F)(F)C1)c1cc2sccc2c([O-])c1 ZINC000816790110 632050836 /nfs/dbraw/zinc/05/08/36/632050836.db2.gz LDFUSDXJFAKDMO-UHFFFAOYSA-N -1 3 297.326 3.382 20 0 CGADHM COc1ccc([C@@H](C)CC(=O)[N-]OCCC2CC2)cc1 ZINC000817383597 632134573 /nfs/dbraw/zinc/13/45/73/632134573.db2.gz QCGOZBLGBOVGFU-LBPRGKRZSA-N -1 3 277.364 3.037 20 0 CGADHM O=C(NOCCC1CC1)c1cc([O-])c2ccccc2c1 ZINC000817387964 632136259 /nfs/dbraw/zinc/13/62/59/632136259.db2.gz LITAIERPKBWGJY-UHFFFAOYSA-N -1 3 271.316 3.007 20 0 CGADHM O=C(Cc1c[nH]c2cc(Cl)ccc12)[N-]OCCC1CC1 ZINC000817421097 632147451 /nfs/dbraw/zinc/14/74/51/632147451.db2.gz NKWFKBJKWAZNAX-UHFFFAOYSA-N -1 3 292.766 3.212 20 0 CGADHM Nc1ccc(C(=O)N(CC2CC2)C2CCCCC2)c([O-])c1 ZINC000817933429 632236501 /nfs/dbraw/zinc/23/65/01/632236501.db2.gz DOABEIPNJKZMPE-UHFFFAOYSA-N -1 3 288.391 3.159 20 0 CGADHM CC(C)(C)C[C@@H]1CCCN1C(=O)c1ccc(N)cc1[O-] ZINC000817929865 632236801 /nfs/dbraw/zinc/23/68/01/632236801.db2.gz LVIULAPIHOSPGG-LBPRGKRZSA-N -1 3 276.380 3.015 20 0 CGADHM Cc1cc(=O)[n-]c(CSCC[C@@H]2CC2(Cl)Cl)n1 ZINC000818153747 632292545 /nfs/dbraw/zinc/29/25/45/632292545.db2.gz WTWKWHBPCCSWKR-MRVPVSSYSA-N -1 3 293.219 3.308 20 0 CGADHM CCC(F)(F)C(=O)Nc1ccc(Br)cc1[O-] ZINC000821844975 632833353 /nfs/dbraw/zinc/83/33/53/632833353.db2.gz AEYDJWSYLRCRKY-UHFFFAOYSA-N -1 3 294.095 3.139 20 0 CGADHM Cc1ccc([C@@H](C)NC(=O)Cc2ccc([O-])c(F)c2)s1 ZINC000822716863 633010928 /nfs/dbraw/zinc/01/09/28/633010928.db2.gz SZEFGFBLQNDMJO-SNVBAGLBSA-N -1 3 293.363 3.321 20 0 CGADHM O=C(CCc1ccccc1C(F)(F)F)[N-]OC1CCC1 ZINC000868659474 633349377 /nfs/dbraw/zinc/34/93/77/633349377.db2.gz XSNZISUYSJMGSO-UHFFFAOYSA-N -1 3 287.281 3.238 20 0 CGADHM CC(=O)[C@H](OC(=O)CCCc1ccc([O-])c(F)c1)C(C)C ZINC000829034439 633682705 /nfs/dbraw/zinc/68/27/05/633682705.db2.gz GWPGNRKVDQQZHI-MRXNPFEDSA-N -1 3 296.338 3.011 20 0 CGADHM CC(C)C[C@@H](C)CC(=O)[N-]OCCCC(F)(F)F ZINC000871211511 633727688 /nfs/dbraw/zinc/72/76/88/633727688.db2.gz UNIYKBFRICYGII-SNVBAGLBSA-N -1 3 269.307 3.449 20 0 CGADHM Cc1ccc(C(=O)NOCCCC(F)(F)F)c([O-])c1C ZINC000871214268 633729534 /nfs/dbraw/zinc/72/95/34/633729534.db2.gz KTGNCHQUCJUTRS-UHFFFAOYSA-N -1 3 291.269 3.013 20 0 CGADHM CSc1ccc([O-])c(C(=O)N2C[C@@H]3CC=CC[C@@H]3C2)c1 ZINC000871525367 633790428 /nfs/dbraw/zinc/79/04/28/633790428.db2.gz QTDDQBXSVUWTIQ-TXEJJXNPSA-N -1 3 289.400 3.152 20 0 CGADHM C[C@H](C1CC1)n1cc([N-]S(=O)(=O)C2=CCCCC2)cn1 ZINC000829921149 633809529 /nfs/dbraw/zinc/80/95/29/633809529.db2.gz HKEYWNBTKWZDCA-LLVKDONJSA-N -1 3 295.408 3.054 20 0 CGADHM CCON(CC)C(=O)c1cc2sccc2c([O-])c1 ZINC000831463159 633965414 /nfs/dbraw/zinc/96/54/14/633965414.db2.gz ROAVUIMPRLHUFR-UHFFFAOYSA-N -1 3 265.334 3.021 20 0 CGADHM C[C@H](N[C@H](CO)c1ccc(F)cc1)c1cccc([O-])c1F ZINC000872046051 633969713 /nfs/dbraw/zinc/96/97/13/633969713.db2.gz UPPZESMMEIJXOR-IINYFYTJSA-N -1 3 293.313 3.055 20 0 CGADHM C[C@@H](Nc1cnn2c1CCCC2)c1cccc([O-])c1F ZINC000872093358 634017806 /nfs/dbraw/zinc/01/78/06/634017806.db2.gz UXSJMTGATYLTFK-SNVBAGLBSA-N -1 3 275.327 3.237 20 0 CGADHM CCCCCCN1CCc2c(C(=O)[O-])ccc(OC)c2C1 ZINC000872166039 634073662 /nfs/dbraw/zinc/07/36/62/634073662.db2.gz AZVUCSOIHUNHHG-UHFFFAOYSA-N -1 3 291.391 3.332 20 0 CGADHM Cc1cccc(C(=O)OCc2cc(=O)[n-]c(C3CC3)n2)c1C ZINC000837341302 634891406 /nfs/dbraw/zinc/89/14/06/634891406.db2.gz JDEGGKRRSHXLAQ-UHFFFAOYSA-N -1 3 298.342 3.033 20 0 CGADHM CO[C@H](CO[N-]C(=O)CCCc1ccccc1)CC(C)C ZINC000842028584 635258911 /nfs/dbraw/zinc/25/89/11/635258911.db2.gz RVGXXGGHFJJSGN-INIZCTEOSA-N -1 3 293.407 3.118 20 0 CGADHM CCC(CC)n1ccc(CO[N-]C(=O)CC(C)(C)C)n1 ZINC000842062184 635270891 /nfs/dbraw/zinc/27/08/91/635270891.db2.gz ZZCATYVZGKWBIC-UHFFFAOYSA-N -1 3 281.400 3.228 20 0 CGADHM CC(C)(C)CC(=O)[N-]OCc1sccc1Cl ZINC000842061738 635271612 /nfs/dbraw/zinc/27/16/12/635271612.db2.gz PFYYYELKYLFMSI-UHFFFAOYSA-N -1 3 261.774 3.386 20 0 CGADHM CCN(Cc1ccoc1)Cc1nnc(-c2ccccc2[O-])o1 ZINC000878036629 635332430 /nfs/dbraw/zinc/33/24/30/635332430.db2.gz OOGUXRJIGMGKLE-UHFFFAOYSA-N -1 3 299.330 3.057 20 0 CGADHM CCON(C(=O)c1ccc2c(c1[O-])CCCC2)C(C)C ZINC000844077382 635813934 /nfs/dbraw/zinc/81/39/34/635813934.db2.gz ICQXXXIZJZHAIX-UHFFFAOYSA-N -1 3 277.364 3.073 20 0 CGADHM CCCO[N-]C(=O)CCCOc1ccc(C)cc1Cl ZINC000844086513 635818389 /nfs/dbraw/zinc/81/83/89/635818389.db2.gz RQBLMUVHBVZVHX-UHFFFAOYSA-N -1 3 285.771 3.265 20 0 CGADHM O=C(CC[C@H]1CCc2ccccc21)[N-]OC/C=C/Cl ZINC000880061303 635906820 /nfs/dbraw/zinc/90/68/20/635906820.db2.gz ZXLXTDITWPLNQA-NUQDLXRASA-N -1 3 279.767 3.297 20 0 CGADHM O=C([N-]c1ccccc1SC(F)F)c1ccon1 ZINC000128493544 636021818 /nfs/dbraw/zinc/02/18/18/636021818.db2.gz HZGLAXSFEGKESC-UHFFFAOYSA-N -1 3 270.260 3.242 20 0 CGADHM C=C/C=C\CCNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000881568595 636145810 /nfs/dbraw/zinc/14/58/10/636145810.db2.gz UGUZUUPVXQMDOU-ARJAWSKDSA-N -1 3 277.339 3.103 20 0 CGADHM O=C([O-])c1cccc2c1CN(Cc1ccc(CF)cc1)CC2 ZINC000846274981 636170809 /nfs/dbraw/zinc/17/08/09/636170809.db2.gz CSYNGNKZJZJTJG-UHFFFAOYSA-N -1 3 299.345 3.413 20 0 CGADHM O=C(c1cc([O-])c2ccccc2c1)N1CCCC(F)(F)C1 ZINC000846358943 636177374 /nfs/dbraw/zinc/17/73/74/636177374.db2.gz FQZSYDYXIPAKBJ-UHFFFAOYSA-N -1 3 291.297 3.417 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CCC[C@]3(CC3(F)F)C2)c1 ZINC000846579806 636206058 /nfs/dbraw/zinc/20/60/58/636206058.db2.gz XGWJDHQOKUKMSE-HNNXBMFYSA-N -1 3 295.329 3.216 20 0 CGADHM CCCc1csc([N-]C(=O)c2c(F)ccnc2F)n1 ZINC000847637334 636407241 /nfs/dbraw/zinc/40/72/41/636407241.db2.gz CAXRMQFVJDSABC-UHFFFAOYSA-N -1 3 283.303 3.021 20 0 CGADHM O=C(C=C1CCCC1)Nc1c([O-])cccc1Cl ZINC000848139886 636533565 /nfs/dbraw/zinc/53/35/65/636533565.db2.gz GODJWDQSBPZVFV-UHFFFAOYSA-N -1 3 251.713 3.485 20 0 CGADHM O=C1[N-]C(=O)/C(=C\c2cc3ccccc3o2)c2ccccc21 ZINC000131131407 636562285 /nfs/dbraw/zinc/56/22/85/636562285.db2.gz KOABIWZOBLYXFC-GDNBJRDFSA-N -1 3 289.290 3.243 20 0 CGADHM CC(C)(C)CC(=O)[N-]OCCCc1c(F)cccc1F ZINC000848512495 636583298 /nfs/dbraw/zinc/58/32/98/636583298.db2.gz FKXZMRXRFDXULK-UHFFFAOYSA-N -1 3 285.334 3.381 20 0 CGADHM C[C@H](CCc1ccccc1)OC(=O)c1cccc2nn[n-]c21 ZINC000800205286 636956205 /nfs/dbraw/zinc/95/62/05/636956205.db2.gz GNACCYMHNAEHEB-GFCCVEGCSA-N -1 3 295.342 3.136 20 0 CGADHM C[C@H](CCc1ccccc1)OC(=O)c1cccc2[n-]nnc21 ZINC000800205286 636956214 /nfs/dbraw/zinc/95/62/14/636956214.db2.gz GNACCYMHNAEHEB-GFCCVEGCSA-N -1 3 295.342 3.136 20 0 CGADHM C[C@H](CCc1ccccc1)OC(=O)c1cccc2n[n-]nc21 ZINC000800205286 636956222 /nfs/dbraw/zinc/95/62/22/636956222.db2.gz GNACCYMHNAEHEB-GFCCVEGCSA-N -1 3 295.342 3.136 20 0 CGADHM [O-]c1cccc(CN[C@@H]2C[C@@H](O)c3ccccc32)c1Cl ZINC000850372886 637036482 /nfs/dbraw/zinc/03/64/82/637036482.db2.gz APABTRSOWZZGSU-UKRRQHHQSA-N -1 3 289.762 3.314 20 0 CGADHM Nc1ccc(C(=O)N2CCCC[C@@H]2CC2CCC2)c([O-])c1 ZINC000852918023 637724233 /nfs/dbraw/zinc/72/42/33/637724233.db2.gz SDXGFRLNCDHIAL-CQSZACIVSA-N -1 3 288.391 3.159 20 0 CGADHM O=c1ccc(-c2cccc(N3CCCCC3=O)c2)c(F)[n-]1 ZINC000854188944 638012145 /nfs/dbraw/zinc/01/21/45/638012145.db2.gz DNMVMHSKPQKNCY-UHFFFAOYSA-N -1 3 286.306 3.110 20 0 CGADHM CC1(C)C[C@H](O)c2cc(-c3ccc(=O)[n-]c3F)ccc2O1 ZINC000854189025 638012628 /nfs/dbraw/zinc/01/26/28/638012628.db2.gz HOGNLOUWUCHJAO-LBPRGKRZSA-N -1 3 289.306 3.188 20 0 CGADHM O=c1ccc(-c2ccc([C@@H](O)C3CCC3)cc2)c(F)[n-]1 ZINC000854190245 638013485 /nfs/dbraw/zinc/01/34/85/638013485.db2.gz ZHRLUYBZCKVURV-HNNXBMFYSA-N -1 3 273.307 3.427 20 0 CGADHM O=C(C[C@H]1CCC(F)(F)C1)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000854581445 638072684 /nfs/dbraw/zinc/07/26/84/638072684.db2.gz KPXJZAGALVOMJT-MRVPVSSYSA-N -1 3 295.289 3.033 20 0 CGADHM CC1(C)C[C@]1(C)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000856137536 638305940 /nfs/dbraw/zinc/30/59/40/638305940.db2.gz UEHQASLXRDMPCX-KRWDZBQOSA-N -1 3 269.344 3.464 20 0 CGADHM Cc1cccc(OCCCC(=O)[N-]OCC2CCC2)c1 ZINC000856343111 638345099 /nfs/dbraw/zinc/34/50/99/638345099.db2.gz VBMDQLMHBNUIQP-UHFFFAOYSA-N -1 3 277.364 3.002 20 0 CGADHM Cc1ccc(CCC(=O)[N-]OCC2CCC2)c(C)c1 ZINC000856344805 638345971 /nfs/dbraw/zinc/34/59/71/638345971.db2.gz QUDVONQMPRCSMV-UHFFFAOYSA-N -1 3 261.365 3.084 20 0 CGADHM C[C@@H](CC(=O)[N-]OCC1CCC1)c1ccc(F)cc1F ZINC000856348908 638348483 /nfs/dbraw/zinc/34/84/83/638348483.db2.gz UHGBWWZFRRSRLC-JTQLQIEISA-N -1 3 283.318 3.306 20 0 CGADHM CCSc1ccc(CC(=O)[N-]OCC2CCC2)cc1 ZINC000856348471 638348881 /nfs/dbraw/zinc/34/88/81/638348881.db2.gz GYIJTSXQRZLDFP-UHFFFAOYSA-N -1 3 279.405 3.189 20 0 CGADHM O=C(Cc1c[nH]c2ccc(Cl)cc12)[N-]OCC1CCC1 ZINC000856349232 638350116 /nfs/dbraw/zinc/35/01/16/638350116.db2.gz KWYWCFHHOYYHRA-UHFFFAOYSA-N -1 3 292.766 3.212 20 0 CGADHM O=C(NCCC1CCC1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000857149720 638462588 /nfs/dbraw/zinc/46/25/88/638462588.db2.gz DBOMYRVMRSKCIA-UHFFFAOYSA-N -1 3 287.281 3.331 20 0 CGADHM CC[C@@H](C)N(OC)C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000857155727 638463350 /nfs/dbraw/zinc/46/33/50/638463350.db2.gz FHVHASZFHCDFCY-MRVPVSSYSA-N -1 3 291.269 3.213 20 0 CGADHM O=C(NCC[C@H]1CC1(F)F)c1cc2sccc2c([O-])c1 ZINC000857727816 638561189 /nfs/dbraw/zinc/56/11/89/638561189.db2.gz GJNDWOOSCNGFPU-VIFPVBQESA-N -1 3 297.326 3.382 20 0 CGADHM CCc1nn(C)cc1N[C@@H](C)c1cc([O-])cc(F)c1 ZINC000925960331 638665870 /nfs/dbraw/zinc/66/58/70/638665870.db2.gz OLXYAAPSAOWLFY-VIFPVBQESA-N -1 3 263.316 3.000 20 0 CGADHM CO[C@@H]1Cc2ccc(NC(=O)c3c(C)cccc3[O-])cc2C1 ZINC000860751663 639420334 /nfs/dbraw/zinc/42/03/34/639420334.db2.gz FTBRBSDYEQLLMS-OAHLLOKOSA-N -1 3 297.354 3.067 20 0 CGADHM Cc1cnccc1C/N=C/c1cc(Cl)ccc1[O-] ZINC000189355186 640189359 /nfs/dbraw/zinc/18/93/59/640189359.db2.gz KKGANXWSLPMLNS-RQZCQDPDSA-N -1 3 260.724 3.368 20 0 CGADHM CCc1ccccc1CC(=O)[N-]OCc1ccccc1 ZINC000189912358 640213022 /nfs/dbraw/zinc/21/30/22/640213022.db2.gz YUVWPJFKZUSLPQ-UHFFFAOYSA-N -1 3 269.344 3.040 20 0 CGADHM Cc1nn(C)cc1[C@@H](C)NCc1c([O-])ccc(Cl)c1F ZINC000190954419 640280944 /nfs/dbraw/zinc/28/09/44/640280944.db2.gz HAXNUBZZXBFOLF-MRVPVSSYSA-N -1 3 297.761 3.077 20 0 CGADHM CC1(C)CCN1Cc1cccc(Br)c1[O-] ZINC000093460362 640770602 /nfs/dbraw/zinc/77/06/02/640770602.db2.gz BQMPTGHRKXYTFU-UHFFFAOYSA-N -1 3 270.170 3.139 20 0 CGADHM Cc1cnc(-c2ccc([O-])cc2C(F)(F)F)nc1 ZINC001250494655 805651317 /nfs/dbraw/zinc/65/13/17/805651317.db2.gz WQFKUQBCLXPKKV-UHFFFAOYSA-N -1 3 254.211 3.176 20 0 CGADHM Cc1cc(-c2nc3c([n-]2)c(F)c(F)c(F)c3F)no1 ZINC001250520571 805671547 /nfs/dbraw/zinc/67/15/47/805671547.db2.gz RTKWITHEYZZVQW-UHFFFAOYSA-N -1 3 271.173 3.083 20 0 CGADHM COc1ccc(F)cc1-c1c(F)ccc([O-])c1F ZINC001250621368 805731540 /nfs/dbraw/zinc/73/15/40/805731540.db2.gz JDBHIMZOKPOBQI-UHFFFAOYSA-N -1 3 254.207 3.485 20 0 CGADHM CCn1c(-c2ccncc2[O-])nc2ccc(F)c(F)c21 ZINC001250857774 805790283 /nfs/dbraw/zinc/79/02/83/805790283.db2.gz LNUQKIWSAILPJL-UHFFFAOYSA-N -1 3 275.258 3.102 20 0 CGADHM Fc1cc2[n-]c(-c3ncco3)nc2c(C(F)(F)F)c1 ZINC001250923885 805801306 /nfs/dbraw/zinc/80/13/06/805801306.db2.gz GSZFKERBQZPSGS-UHFFFAOYSA-N -1 3 271.173 3.376 20 0 CGADHM Fc1cc2nc(-c3ncco3)[n-]c2c(C(F)(F)F)c1 ZINC001250923885 805801314 /nfs/dbraw/zinc/80/13/14/805801314.db2.gz GSZFKERBQZPSGS-UHFFFAOYSA-N -1 3 271.173 3.376 20 0 CGADHM Cc1cccc([O-])c1C(=O)NCC[C@H]1CCC(C)(C)CO1 ZINC001157529770 805827896 /nfs/dbraw/zinc/82/78/96/805827896.db2.gz DXBHQOPKDFMTSC-CYBMUJFWSA-N -1 3 291.391 3.026 20 0 CGADHM O=c1ccc(-c2nc3c(ccc(Cl)c3Cl)[n-]2)n[nH]1 ZINC001251059932 805839130 /nfs/dbraw/zinc/83/91/30/805839130.db2.gz BFWSYPHMBMLDRD-UHFFFAOYSA-N -1 3 281.102 3.032 20 0 CGADHM CCc1cc2c(ccnc2NCc2ncccc2[O-])o1 ZINC001158776252 806001612 /nfs/dbraw/zinc/00/16/12/806001612.db2.gz UJGUWUVJKHZVAC-UHFFFAOYSA-N -1 3 269.304 3.103 20 0 CGADHM CC(C)c1ccc2ncnc(NCc3ncccc3[O-])c2c1 ZINC001158774375 806002072 /nfs/dbraw/zinc/00/20/72/806002072.db2.gz MXIJCNHCXMBMFX-UHFFFAOYSA-N -1 3 294.358 3.466 20 0 CGADHM CC(C)=C[C@H]1[C@@H](C(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)C1(C)C ZINC001159055909 806037284 /nfs/dbraw/zinc/03/72/84/806037284.db2.gz FLRPFCKTXDLDBP-JSGCOSHPSA-N -1 3 299.374 3.445 20 0 CGADHM COc1ccc(-c2nnc(-c3ccccc3)o2)c([O-])c1OC ZINC001253130914 806178587 /nfs/dbraw/zinc/17/85/87/806178587.db2.gz KUCUUVWEUWUBGX-UHFFFAOYSA-N -1 3 298.298 3.126 20 0 CGADHM CCCCC[C@H](O)CNc1c([O-])cc(F)cc1F ZINC001253544234 806246223 /nfs/dbraw/zinc/24/62/23/806246223.db2.gz KBOQKXLIBRRUKT-JTQLQIEISA-N -1 3 259.296 3.024 20 0 CGADHM Cc1ccccc1CNc1ccc(C)c(-c2nnn[n-]2)c1 ZINC001161623904 806403988 /nfs/dbraw/zinc/40/39/88/806403988.db2.gz NUTIQIXYCDVEMY-UHFFFAOYSA-N -1 3 279.347 3.096 20 0 CGADHM Cc1ccccc1CNc1ccc(C)c(-c2nn[n-]n2)c1 ZINC001161623904 806403992 /nfs/dbraw/zinc/40/39/92/806403992.db2.gz NUTIQIXYCDVEMY-UHFFFAOYSA-N -1 3 279.347 3.096 20 0 CGADHM O=c1[n-]c(-c2nnc([C@@H]3C[C@H]3c3ccccc3)o2)ccc1F ZINC001254654500 806475235 /nfs/dbraw/zinc/47/52/35/806475235.db2.gz PSQRWZIKEOINKV-WDEREUQCSA-N -1 3 297.289 3.247 20 0 CGADHM Cc1cccnc1CNc1ccc2c(c1)[N-]C(=S)C2 ZINC001161887810 806479719 /nfs/dbraw/zinc/47/97/19/806479719.db2.gz GDTBJDMHDYSASA-UHFFFAOYSA-N -1 3 269.373 3.298 20 0 CGADHM Cc1oncc1CNc1[n-]c(=O)c(Cl)cc1Cl ZINC001162266472 806544153 /nfs/dbraw/zinc/54/41/53/806544153.db2.gz IDCYWAQMXJHEEW-UHFFFAOYSA-N -1 3 274.107 3.003 20 0 CGADHM C[C@@H](CCC[C@H](C)C(=O)[O-])NCc1nc2ccccc2o1 ZINC000087678749 798947165 /nfs/dbraw/zinc/94/71/65/798947165.db2.gz XILLVGPLGIFECF-RYUDHWBXSA-N -1 3 290.363 3.197 20 0 CGADHM Cc1cc(Cl)cc(CN2CCC3(C[C@H]3C(=O)[O-])CC2)c1 ZINC000405413079 799585234 /nfs/dbraw/zinc/58/52/34/799585234.db2.gz WGXCBYWZQJJJGJ-AWEZNQCLSA-N -1 3 293.794 3.335 20 0 CGADHM COc1cccc(NC(=O)c2cccc(C)c2[O-])c1F ZINC000690022410 799771635 /nfs/dbraw/zinc/77/16/35/799771635.db2.gz ZAUXFJABTHZICE-UHFFFAOYSA-N -1 3 275.279 3.101 20 0 CGADHM Cc1nc(CNCc2ccc([O-])c(Cl)c2)sc1C ZINC000719527334 800240827 /nfs/dbraw/zinc/24/08/27/800240827.db2.gz HLDUROMSWNQTSE-UHFFFAOYSA-N -1 3 282.796 3.409 20 0 CGADHM C[C@H]1C[C@H]1c1nnc(-c2cc([O-])cc(Cl)c2)o1 ZINC001256749334 806971242 /nfs/dbraw/zinc/97/12/42/806971242.db2.gz TXCYLFIENMSTCJ-QUBYGPBYSA-N -1 3 250.685 3.219 20 0 CGADHM O=C(CSCc1cccs1)Nc1cccc([O-])c1F ZINC001116408867 802342529 /nfs/dbraw/zinc/34/25/29/802342529.db2.gz OADVZIRAMYOIDD-UHFFFAOYSA-N -1 3 297.376 3.465 20 0 CGADHM CC(C)(C)O[N-]C(=O)CCc1cccc(C(F)(F)F)c1 ZINC001116638665 802389368 /nfs/dbraw/zinc/38/93/68/802389368.db2.gz CMRMTTDWGHTRKU-UHFFFAOYSA-N -1 3 289.297 3.484 20 0 CGADHM CCC[C@H]1CCCN1C(=O)NCc1ccc([O-])c(F)c1 ZINC001123603537 802956896 /nfs/dbraw/zinc/95/68/96/802956896.db2.gz ALSBMXBDCOBFFY-LBPRGKRZSA-N -1 3 280.343 3.005 20 0 CGADHM CCc1ncoc1C(=O)[N-]c1ccccc1SC ZINC001124260787 803007418 /nfs/dbraw/zinc/00/74/18/803007418.db2.gz AKAVWIPANJUYRN-UHFFFAOYSA-N -1 3 262.334 3.211 20 0 CGADHM CC(C)(C)c1cc(-c2ccccc2-c2nnn[n-]2)ccn1 ZINC001244020402 803144738 /nfs/dbraw/zinc/14/47/38/803144738.db2.gz CUDUGJZCHJERPZ-UHFFFAOYSA-N -1 3 279.347 3.226 20 0 CGADHM CC(C)(C)c1cc(-c2ccccc2-c2nn[n-]n2)ccn1 ZINC001244020402 803144740 /nfs/dbraw/zinc/14/47/40/803144740.db2.gz CUDUGJZCHJERPZ-UHFFFAOYSA-N -1 3 279.347 3.226 20 0 CGADHM O=c1cnc(-c2c([O-])cccc2Cl)cn1CC1CCC1 ZINC001244046803 803159423 /nfs/dbraw/zinc/15/94/23/803159423.db2.gz BFARHXABZIDBSJ-UHFFFAOYSA-N -1 3 290.750 3.069 20 0 CGADHM CC(C)n1ccc(-c2c([O-])cccc2Cl)cc1=O ZINC001244045044 803159479 /nfs/dbraw/zinc/15/94/79/803159479.db2.gz SJESTEIUMIOIDF-UHFFFAOYSA-N -1 3 263.724 3.455 20 0 CGADHM O=c1ccc(-c2c([O-])cccc2Cl)cn1-c1cccnc1 ZINC001244046833 803159492 /nfs/dbraw/zinc/15/94/92/803159492.db2.gz CMOOUDRPMWCKEP-UHFFFAOYSA-N -1 3 298.729 3.259 20 0 CGADHM CCOC(=O)c1ccc(-c2c([O-])cccc2Cl)cn1 ZINC001244052578 803162111 /nfs/dbraw/zinc/16/21/11/803162111.db2.gz XTXVXZRUYBZWGN-UHFFFAOYSA-N -1 3 277.707 3.284 20 0 CGADHM CC(C)COc1ccccc1-c1ccc(=S)[n-]n1 ZINC001244053239 803163241 /nfs/dbraw/zinc/16/32/41/803163241.db2.gz IODMKZGIEFJCBT-UHFFFAOYSA-N -1 3 260.362 3.467 20 0 CGADHM O=C([O-])CCc1ccc(-c2cc(N3CCCC3)ccn2)cc1 ZINC001244188162 803233632 /nfs/dbraw/zinc/23/36/32/803233632.db2.gz IYSNCOYPAIQNRP-UHFFFAOYSA-N -1 3 296.370 3.366 20 0 CGADHM CC(C)c1ccc(N)c(-c2ccccc2-c2nnn[n-]2)c1 ZINC001244213640 803243763 /nfs/dbraw/zinc/24/37/63/803243763.db2.gz CPWCKXJIXUYYOR-UHFFFAOYSA-N -1 3 279.347 3.239 20 0 CGADHM CC(C)c1ccc(N)c(-c2ccccc2-c2nn[n-]n2)c1 ZINC001244213640 803243765 /nfs/dbraw/zinc/24/37/65/803243765.db2.gz CPWCKXJIXUYYOR-UHFFFAOYSA-N -1 3 279.347 3.239 20 0 CGADHM Fc1cc(N2CCCC2)ccc1-c1ccc(=S)[n-]n1 ZINC001244271709 803272337 /nfs/dbraw/zinc/27/23/37/803272337.db2.gz XQUQPZYYTCAHGK-UHFFFAOYSA-N -1 3 275.352 3.172 20 0 CGADHM O=C([N-]c1nsc2ccccc21)c1cc(C2CC2)no1 ZINC001130344594 803281498 /nfs/dbraw/zinc/28/14/98/803281498.db2.gz JIFZKMAPUNDEGV-UHFFFAOYSA-N -1 3 285.328 3.414 20 0 CGADHM COc1ncc(-c2ccc(Cl)cc2[O-])cc1F ZINC001244469313 803385496 /nfs/dbraw/zinc/38/54/96/803385496.db2.gz GXAFFAMHKVVOQJ-UHFFFAOYSA-N -1 3 253.660 3.255 20 0 CGADHM [O-]c1cc(Cl)ccc1-c1cnc(N2CCCC2)nc1 ZINC001244469723 803385828 /nfs/dbraw/zinc/38/58/28/803385828.db2.gz QCLNNKIFKXCJGE-UHFFFAOYSA-N -1 3 275.739 3.103 20 0 CGADHM COC(=O)c1cncc(-c2ccc(Cl)cc2[O-])c1C ZINC001244471249 803386847 /nfs/dbraw/zinc/38/68/47/803386847.db2.gz BJIOVLIYVZCROS-UHFFFAOYSA-N -1 3 277.707 3.203 20 0 CGADHM O=c1ccc(-c2ccc(Cl)cc2[O-])cn1-c1cccnc1 ZINC001244471504 803387068 /nfs/dbraw/zinc/38/70/68/803387068.db2.gz HAYSQKBIXMXIFD-UHFFFAOYSA-N -1 3 298.729 3.259 20 0 CGADHM CCOC(=O)c1ncccc1-c1ccc(Cl)cc1[O-] ZINC001244473904 803389197 /nfs/dbraw/zinc/38/91/97/803389197.db2.gz ZZCZKIULQUVLPV-UHFFFAOYSA-N -1 3 277.707 3.284 20 0 CGADHM CSc1nccc(-c2cc(C)c(F)c([O-])c2)n1 ZINC001244495238 803403018 /nfs/dbraw/zinc/40/30/18/803403018.db2.gz DTECGGYQFLDAKV-UHFFFAOYSA-N -1 3 250.298 3.019 20 0 CGADHM Cc1cc(-c2nccc3ccn(C)c32)cc([O-])c1F ZINC001244505473 803410138 /nfs/dbraw/zinc/41/01/38/803410138.db2.gz ABVKNWJLCVBFKI-UHFFFAOYSA-N -1 3 256.280 3.393 20 0 CGADHM Cc1cc(-c2cncc(C(F)(F)F)n2)cc([O-])c1F ZINC001244506249 803410404 /nfs/dbraw/zinc/41/04/04/803410404.db2.gz FAWWWVUJRWTRMR-UHFFFAOYSA-N -1 3 272.201 3.316 20 0 CGADHM COc1ccc2cnc(-c3cc(C)c(F)c([O-])c3)nc2c1 ZINC001244505763 803410483 /nfs/dbraw/zinc/41/04/83/803410483.db2.gz JLNDPQUTMYWKHW-UHFFFAOYSA-N -1 3 284.290 3.459 20 0 CGADHM Cc1cc(-c2nc(C(N)=O)cc3ccccc32)cc([O-])c1F ZINC001244506761 803410561 /nfs/dbraw/zinc/41/05/61/803410561.db2.gz IXRIOTVLGBKECH-UHFFFAOYSA-N -1 3 296.301 3.154 20 0 CGADHM COC(=O)c1cccc(-c2cc(C)c(F)c([O-])c2)c1 ZINC001244518158 803413341 /nfs/dbraw/zinc/41/33/41/803413341.db2.gz QYUZCKVQHZHFMU-UHFFFAOYSA-N -1 3 260.264 3.293 20 0 CGADHM Cc1cc(-c2ccc3nnccc3c2)cc([O-])c1F ZINC001244515761 803413507 /nfs/dbraw/zinc/41/35/07/803413507.db2.gz MUZYIDHNGDYASM-UHFFFAOYSA-N -1 3 254.264 3.450 20 0 CGADHM Cc1cc(-c2cn(C)c(=O)c3ccccc32)cc([O-])c1F ZINC001244516619 803413723 /nfs/dbraw/zinc/41/37/23/803413723.db2.gz YONXBMWSICGGML-UHFFFAOYSA-N -1 3 283.302 3.359 20 0 CGADHM COC(=O)c1ccc(-c2cc(C)c(F)c([O-])c2)cc1OC ZINC001244516752 803414267 /nfs/dbraw/zinc/41/42/67/803414267.db2.gz DSLNBTDHVPZDSW-UHFFFAOYSA-N -1 3 290.290 3.302 20 0 CGADHM Cc1cc(-c2ccc(C(N)=O)c(F)c2)cc(Cl)c1[O-] ZINC001244546124 803432024 /nfs/dbraw/zinc/43/20/24/803432024.db2.gz FEGFWDBJJMGHQM-UHFFFAOYSA-N -1 3 279.698 3.259 20 0 CGADHM Cc1cc(-c2cccc(C(N)=O)c2F)cc(Cl)c1[O-] ZINC001244547506 803432244 /nfs/dbraw/zinc/43/22/44/803432244.db2.gz OLNQRKNDPWZBGL-UHFFFAOYSA-N -1 3 279.698 3.259 20 0 CGADHM Cc1cc(-c2cncc(N(C)C)c2)cc(Cl)c1[O-] ZINC001244551265 803433671 /nfs/dbraw/zinc/43/36/71/803433671.db2.gz VTAOAAPQAFGKDD-UHFFFAOYSA-N -1 3 262.740 3.482 20 0 CGADHM COC(=O)Cc1ccncc1-c1cc(C)c([O-])c(Cl)c1 ZINC001244550626 803433874 /nfs/dbraw/zinc/43/38/74/803433874.db2.gz GWRJKSIOUFTDOZ-UHFFFAOYSA-N -1 3 291.734 3.132 20 0 CGADHM Cc1cc(Cl)c(N)c(-c2cccc(-c3nnn[n-]3)c2)c1 ZINC001244580354 803451106 /nfs/dbraw/zinc/45/11/06/803451106.db2.gz XYMQBQHEYCRJQY-UHFFFAOYSA-N -1 3 285.738 3.078 20 0 CGADHM Cc1cc(Cl)c(N)c(-c2cccc(-c3nn[n-]n3)c2)c1 ZINC001244580354 803451111 /nfs/dbraw/zinc/45/11/11/803451111.db2.gz XYMQBQHEYCRJQY-UHFFFAOYSA-N -1 3 285.738 3.078 20 0 CGADHM O=C([N-]c1nocc1C1CC1)c1noc2c1CCCCC2 ZINC001133284383 803466216 /nfs/dbraw/zinc/46/62/16/803466216.db2.gz JBWDOUOIMGAKFQ-UHFFFAOYSA-N -1 3 287.319 3.061 20 0 CGADHM COc1ccc(Nc2ccc([O-])c(Cl)c2)c(CO)c1 ZINC001211745077 814938983 /nfs/dbraw/zinc/93/89/83/814938983.db2.gz BSYQQMMQJDVXSS-UHFFFAOYSA-N -1 3 279.723 3.290 20 0 CGADHM COc1cc(-c2ccc(-c3nnn[n-]3)cc2)ccc1C1CC1 ZINC001244890480 803563958 /nfs/dbraw/zinc/56/39/58/803563958.db2.gz BJMUFICETDYMCM-UHFFFAOYSA-N -1 3 292.342 3.420 20 0 CGADHM COc1cc(-c2ccc(-c3nn[n-]n3)cc2)ccc1C1CC1 ZINC001244890480 803563960 /nfs/dbraw/zinc/56/39/60/803563960.db2.gz BJMUFICETDYMCM-UHFFFAOYSA-N -1 3 292.342 3.420 20 0 CGADHM Cc1cc(Cl)ncc1-c1cc(-c2nnn[n-]2)ccc1F ZINC001244919595 803577342 /nfs/dbraw/zinc/57/73/42/803577342.db2.gz YXBOSUAAJUHJQO-UHFFFAOYSA-N -1 3 289.701 3.030 20 0 CGADHM Cc1cc(Cl)ncc1-c1cc(-c2nn[n-]n2)ccc1F ZINC001244919595 803577346 /nfs/dbraw/zinc/57/73/46/803577346.db2.gz YXBOSUAAJUHJQO-UHFFFAOYSA-N -1 3 289.701 3.030 20 0 CGADHM CC(C)c1cc([N-]C(=O)c2coc(-c3cccnc3)n2)no1 ZINC001135365064 803590030 /nfs/dbraw/zinc/59/00/30/803590030.db2.gz WKLJAGPHGJVRGA-UHFFFAOYSA-N -1 3 298.302 3.100 20 0 CGADHM CCc1ccc(CN(C)C(=O)c2c([O-])cccc2OC)cc1 ZINC001135426212 803595776 /nfs/dbraw/zinc/59/57/76/803595776.db2.gz WZINDRKXLCULKR-UHFFFAOYSA-N -1 3 299.370 3.235 20 0 CGADHM O=C1Cc2cc(F)c(-c3cc(Cl)ccc3[O-])cc2N1 ZINC001245052233 803623796 /nfs/dbraw/zinc/62/37/96/803623796.db2.gz MTVKEYOHSQJBAP-UHFFFAOYSA-N -1 3 277.682 3.346 20 0 CGADHM COC(=O)c1ncc(F)cc1-c1cc(Cl)ccc1[O-] ZINC001245053236 803623933 /nfs/dbraw/zinc/62/39/33/803623933.db2.gz ZASADKPCNMGUCU-UHFFFAOYSA-N -1 3 281.670 3.033 20 0 CGADHM COC(=O)c1cnc(C)c(-c2cc(Cl)ccc2[O-])c1 ZINC001245056633 803624729 /nfs/dbraw/zinc/62/47/29/803624729.db2.gz JDLZFYTYNHVRCH-UHFFFAOYSA-N -1 3 277.707 3.203 20 0 CGADHM CCc1nnc(-c2ccc([O-])cc2Cl)nc1CC ZINC001245079870 803634894 /nfs/dbraw/zinc/63/48/94/803634894.db2.gz QZJCGXMGOWGUAQ-UHFFFAOYSA-N -1 3 263.728 3.022 20 0 CGADHM COc1cnc(-c2ccc([O-])cc2Cl)nc1NC(C)C ZINC001245080646 803635796 /nfs/dbraw/zinc/63/57/96/803635796.db2.gz MJOJMMSNPROYSI-UHFFFAOYSA-N -1 3 293.754 3.332 20 0 CGADHM Cc1cc(NC2CC2)nc(-c2ccc([O-])cc2Cl)n1 ZINC001245079989 803635855 /nfs/dbraw/zinc/63/58/55/803635855.db2.gz GRCAQFAXEZHPHQ-UHFFFAOYSA-N -1 3 275.739 3.385 20 0 CGADHM C/C(Cl)=C\C(=O)Nc1ccc(Br)cc1[O-] ZINC001136220211 803636692 /nfs/dbraw/zinc/63/66/92/803636692.db2.gz UBDUUCJTQBYPHO-GQCTYLIASA-N -1 3 290.544 3.236 20 0 CGADHM CC(=O)Nc1cccnc1-c1ccc([O-])cc1Cl ZINC001245082507 803637534 /nfs/dbraw/zinc/63/75/34/803637534.db2.gz WCXKGLAWIAJCJE-UHFFFAOYSA-N -1 3 262.696 3.066 20 0 CGADHM [O-]c1ccc(-c2cnc(OC3CCC3)cn2)c(Cl)c1 ZINC001245083332 803637570 /nfs/dbraw/zinc/63/75/70/803637570.db2.gz OVGACKCBLVIIDV-UHFFFAOYSA-N -1 3 276.723 3.434 20 0 CGADHM CCOC(=O)c1ccc(-c2ccc3c(c2)[N-]C(=S)C3)cn1 ZINC001245258400 803681429 /nfs/dbraw/zinc/68/14/29/803681429.db2.gz NCSVTOQBLLOPFB-UHFFFAOYSA-N -1 3 298.367 3.221 20 0 CGADHM CCC(CC)[C@H](CCNC(=O)c1ccc(C)cc1[O-])OC ZINC001137689786 803759431 /nfs/dbraw/zinc/75/94/31/803759431.db2.gz DIMCIYCLAAGJOF-INIZCTEOSA-N -1 3 293.407 3.272 20 0 CGADHM COc1cccc(O)c1Nc1ccc([O-])c(F)c1F ZINC001212010834 814966371 /nfs/dbraw/zinc/96/63/71/814966371.db2.gz BDCPSPBSSNCBSJ-UHFFFAOYSA-N -1 3 267.231 3.128 20 0 CGADHM COC(=O)Cc1ccc(Nc2ccc([O-])c(F)c2F)cc1 ZINC001212009269 814967156 /nfs/dbraw/zinc/96/71/56/814967156.db2.gz LQWVXBOFMOJXAJ-UHFFFAOYSA-N -1 3 293.269 3.130 20 0 CGADHM Cn1cnc2c1cccc2Nc1ccc([O-])c(F)c1F ZINC001212016460 814968202 /nfs/dbraw/zinc/96/82/02/814968202.db2.gz QYOKOZLXSHYJTN-UHFFFAOYSA-N -1 3 275.258 3.301 20 0 CGADHM CCOc1ccc(-c2c([O-])cccc2F)c(OCC)n1 ZINC001245653545 803883530 /nfs/dbraw/zinc/88/35/30/803883530.db2.gz FDBXGWPLPASTPS-UHFFFAOYSA-N -1 3 277.295 3.391 20 0 CGADHM CN1Cc2c(cccc2-c2c([O-])cccc2F)NC1=O ZINC001245653352 803884124 /nfs/dbraw/zinc/88/41/24/803884124.db2.gz CEYFXBZAGRNJBJ-UHFFFAOYSA-N -1 3 272.279 3.176 20 0 CGADHM COC(=O)c1ccc(-c2c([O-])cccc2F)cc1C ZINC001245654363 803886628 /nfs/dbraw/zinc/88/66/28/803886628.db2.gz QFJKFTUYLZUJNS-UHFFFAOYSA-N -1 3 260.264 3.293 20 0 CGADHM COC(=O)c1c(F)ccc(-c2c([O-])cccc2F)c1F ZINC001245655352 803888402 /nfs/dbraw/zinc/88/84/02/803888402.db2.gz IZSRLUHQYFCGIR-UHFFFAOYSA-N -1 3 282.217 3.263 20 0 CGADHM COC(=O)c1ccc(-c2c([O-])cccc2F)c(C)c1 ZINC001245655246 803888490 /nfs/dbraw/zinc/88/84/90/803888490.db2.gz WRYOYTSYLFJYGU-UHFFFAOYSA-N -1 3 260.264 3.293 20 0 CGADHM COc1cc(C)c(-c2ccc(Cc3nnn[n-]3)cc2)c(C)c1 ZINC001245680606 803907717 /nfs/dbraw/zinc/90/77/17/803907717.db2.gz KZVSPHKOROBJGB-UHFFFAOYSA-N -1 3 294.358 3.083 20 0 CGADHM COc1cc(C)c(-c2ccc(Cc3nn[n-]n3)cc2)c(C)c1 ZINC001245680606 803907724 /nfs/dbraw/zinc/90/77/24/803907724.db2.gz KZVSPHKOROBJGB-UHFFFAOYSA-N -1 3 294.358 3.083 20 0 CGADHM Cc1c(F)ccc(-c2ccc(F)c(-c3nnn[n-]3)c2)c1F ZINC001245693133 803914207 /nfs/dbraw/zinc/91/42/07/803914207.db2.gz QTXAWVUCUFOPAP-UHFFFAOYSA-N -1 3 290.248 3.259 20 0 CGADHM Cc1c(F)ccc(-c2ccc(F)c(-c3nn[n-]n3)c2)c1F ZINC001245693133 803914214 /nfs/dbraw/zinc/91/42/14/803914214.db2.gz QTXAWVUCUFOPAP-UHFFFAOYSA-N -1 3 290.248 3.259 20 0 CGADHM CSc1ccc(F)c(-c2ccc(-c3nnn[n-]3)cc2)c1 ZINC001245749108 803941936 /nfs/dbraw/zinc/94/19/36/803941936.db2.gz RHHMNEWQNLELJM-UHFFFAOYSA-N -1 3 286.335 3.395 20 0 CGADHM CSc1ccc(F)c(-c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001245749108 803941943 /nfs/dbraw/zinc/94/19/43/803941943.db2.gz RHHMNEWQNLELJM-UHFFFAOYSA-N -1 3 286.335 3.395 20 0 CGADHM [O-]c1ccc(F)c(-c2cncc3[nH]cnc32)c1Cl ZINC001245832434 803985829 /nfs/dbraw/zinc/98/58/29/803985829.db2.gz XRXUVAOHPWXIGU-UHFFFAOYSA-N -1 3 263.659 3.123 20 0 CGADHM CN(Cc1ccncc1[O-])Cc1ccccc1C(F)(F)F ZINC001140277416 804406761 /nfs/dbraw/zinc/40/67/61/804406761.db2.gz YREDENBBQHZONK-UHFFFAOYSA-N -1 3 296.292 3.438 20 0 CGADHM [O-]c1c(F)cc(CN2CCC3(CC3)CC2)cc1F ZINC001140988580 804563672 /nfs/dbraw/zinc/56/36/72/804563672.db2.gz FDODLCCNZMRREB-UHFFFAOYSA-N -1 3 253.292 3.046 20 0 CGADHM [O-]c1c(F)cc(CN2CCC[C@@H](C(F)F)C2)cc1F ZINC001140991695 804563838 /nfs/dbraw/zinc/56/38/38/804563838.db2.gz VKJIQKBEWMNTQQ-SECBINFHSA-N -1 3 277.261 3.148 20 0 CGADHM CC(C)N(CCCO)Cc1c(Cl)cc([O-])cc1Cl ZINC001142114833 804695943 /nfs/dbraw/zinc/69/59/43/804695943.db2.gz PUIZKADRKJBHRO-UHFFFAOYSA-N -1 3 292.206 3.292 20 0 CGADHM CSCCN(C)Cc1c(Cl)cc([O-])cc1Cl ZINC001142118304 804696054 /nfs/dbraw/zinc/69/60/54/804696054.db2.gz GBHDYTCVPWZILF-UHFFFAOYSA-N -1 3 280.220 3.494 20 0 CGADHM CC(=O)[C@@H]1CCCN1Cc1c(Cl)cc([O-])cc1Cl ZINC001142122186 804696587 /nfs/dbraw/zinc/69/65/87/804696587.db2.gz NWZVQRLSLLEPAK-ZDUSSCGKSA-N -1 3 288.174 3.252 20 0 CGADHM [O-]c1cc(Cl)cnc1Nc1cc(F)cc(F)c1O ZINC001212479623 815034876 /nfs/dbraw/zinc/03/48/76/815034876.db2.gz IQRFZQGGWZTHMC-UHFFFAOYSA-N -1 3 272.638 3.168 20 0 CGADHM Nc1cc2ccccc2n1-c1cc(F)cc(F)c1[O-] ZINC001212479806 815034927 /nfs/dbraw/zinc/03/49/27/815034927.db2.gz SOYVPVHWXNCCSN-UHFFFAOYSA-N -1 3 260.243 3.197 20 0 CGADHM [O-]c1c(F)cc(F)cc1Nc1cc(-c2ccncc2)no1 ZINC001212479858 815035359 /nfs/dbraw/zinc/03/53/59/815035359.db2.gz WBLZAIDJXQQYIA-UHFFFAOYSA-N -1 3 289.241 3.464 20 0 CGADHM CSCCCNC(=S)Nc1ccc([O-])c(Cl)c1 ZINC001247865380 804847690 /nfs/dbraw/zinc/84/76/90/804847690.db2.gz OKPXDLQKUDVCBW-UHFFFAOYSA-N -1 3 290.841 3.085 20 0 CGADHM CC(C)(C)CNC(=S)Nc1c([O-])cccc1Cl ZINC001247979686 804863755 /nfs/dbraw/zinc/86/37/55/804863755.db2.gz SKMHRKDPDRVQCV-UHFFFAOYSA-N -1 3 272.801 3.378 20 0 CGADHM COC(=O)c1cnc(SCc2cccc3ncccc23)[n-]1 ZINC001166030280 807032846 /nfs/dbraw/zinc/03/28/46/807032846.db2.gz OYEIZXXDFCJCFD-UHFFFAOYSA-N -1 3 299.355 3.037 20 0 CGADHM Cc1ccc(OCCC(=O)Nc2ccc(F)c([O-])c2)cc1 ZINC001144759514 805052130 /nfs/dbraw/zinc/05/21/30/805052130.db2.gz ARPAGKKCSQCVBE-UHFFFAOYSA-N -1 3 289.306 3.247 20 0 CGADHM Cc1ccc(C(=O)Nc2cc(C)ccc2CCCO)c([O-])c1 ZINC001148500202 805191328 /nfs/dbraw/zinc/19/13/28/805191328.db2.gz KYORHDVRODIVSG-UHFFFAOYSA-N -1 3 299.370 3.186 20 0 CGADHM COc1c(Cl)ccc(Nc2cc(=O)[n-]c(C)n2)c1F ZINC001212582324 815076007 /nfs/dbraw/zinc/07/60/07/815076007.db2.gz MPQIUUGBGLESFS-UHFFFAOYSA-N -1 3 283.690 3.035 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])[C@@H](O)C1CCCCCCC1 ZINC001153467895 805398192 /nfs/dbraw/zinc/39/81/92/805398192.db2.gz KXGALXJNARWKSE-HNNXBMFYSA-N -1 3 295.354 3.191 20 0 CGADHM O=C(Nc1ncccc1[O-])[C@H]1CC[C@H](C2CCC2)CC1 ZINC001154067523 805430866 /nfs/dbraw/zinc/43/08/66/805430866.db2.gz HOWBAEYGPWIRNF-JOCQHMNTSA-N -1 3 274.364 3.332 20 0 CGADHM CCc1ccc(NC(=O)c2cccc3c2C(=O)CC3)c([O-])c1 ZINC001154405479 805455281 /nfs/dbraw/zinc/45/52/81/805455281.db2.gz LKNHIIMXSGVDGK-UHFFFAOYSA-N -1 3 295.338 3.336 20 0 CGADHM [O-]c1cc(Nc2cnnc(Cl)c2)ccc1Cl ZINC001212588651 815078477 /nfs/dbraw/zinc/07/84/77/815078477.db2.gz WTSZYGNBSXOTLF-UHFFFAOYSA-N -1 3 256.092 3.233 20 0 CGADHM Cc1csc(Nc2ccc(Cl)c([O-])c2)c1C(N)=O ZINC001212589570 815078722 /nfs/dbraw/zinc/07/87/22/815078722.db2.gz SHAQHIHOCQXERQ-UHFFFAOYSA-N -1 3 282.752 3.258 20 0 CGADHM COC(=O)c1cccc(Cc2c(F)ccc([O-])c2F)c1 ZINC001250192334 805480997 /nfs/dbraw/zinc/48/09/97/805480997.db2.gz XLAFBPRTSZNYQY-UHFFFAOYSA-N -1 3 278.254 3.048 20 0 CGADHM O=C1COc2ccc(Nc3ccc(Cl)c([O-])c3)cc2N1 ZINC001212592328 815079330 /nfs/dbraw/zinc/07/93/30/815079330.db2.gz KHRFVUNOFXOUKH-UHFFFAOYSA-N -1 3 290.706 3.120 20 0 CGADHM COC(=O)c1cccc(N)c1Nc1ccc(Cl)c([O-])c1 ZINC001212593461 815079758 /nfs/dbraw/zinc/07/97/58/815079758.db2.gz RVOUUVCATFYUBZ-UHFFFAOYSA-N -1 3 292.722 3.158 20 0 CGADHM Cc1cc(Nc2ccc(Cl)c([O-])c2)n(CCF)n1 ZINC001212591341 815080136 /nfs/dbraw/zinc/08/01/36/815080136.db2.gz HHSNCOJJXMVBMX-UHFFFAOYSA-N -1 3 269.707 3.264 20 0 CGADHM C[C@H](O)c1ccnc(Nc2ccc(Cl)c([O-])c2)c1 ZINC001212591608 815080380 /nfs/dbraw/zinc/08/03/80/815080380.db2.gz VPJWQPYJZAABLF-QMMMGPOBSA-N -1 3 264.712 3.238 20 0 CGADHM Cc1cccc(S(=O)(=O)Nc2cccc([O-])c2Cl)c1 ZINC001256945791 807013007 /nfs/dbraw/zinc/01/30/07/807013007.db2.gz HJVJUWFZJZHLNL-UHFFFAOYSA-N -1 3 297.763 3.155 20 0 CGADHM Cc1ccc(CCNC(=O)c2c(C)cccc2[O-])cc1C ZINC001165853650 807023393 /nfs/dbraw/zinc/02/33/93/807023393.db2.gz CTMXBOSUGOOCPW-UHFFFAOYSA-N -1 3 283.371 3.290 20 0 CGADHM Cc1ccc([C@H]2C[C@@H]2c2nnc(-c3cncc([O-])c3)o2)cc1 ZINC001257290597 807087657 /nfs/dbraw/zinc/08/76/57/807087657.db2.gz YUHGMSSAXCDQTM-CABCVRRESA-N -1 3 293.326 3.417 20 0 CGADHM CCCOc1c(F)cc(F)c(Nc2cnc[n-]c2=O)c1F ZINC001212648341 815094650 /nfs/dbraw/zinc/09/46/50/815094650.db2.gz XSBLQCNHDXTJMA-UHFFFAOYSA-N -1 3 299.252 3.132 20 0 CGADHM [O-]c1cncc(-c2nc(-c3ccc4cnccc4c3)no2)c1 ZINC001212708872 815110282 /nfs/dbraw/zinc/11/02/82/815110282.db2.gz TUGBUBYNKSWKOO-UHFFFAOYSA-N -1 3 290.282 3.052 20 0 CGADHM CCCCC(CCCC)[NH2+]CCCCP(=O)([O-])[O-] ZINC001258381296 807434538 /nfs/dbraw/zinc/43/45/38/807434538.db2.gz XXAIMSYGGGQBRI-UHFFFAOYSA-N -1 3 279.361 3.283 20 0 CGADHM CN(OCC(F)(F)F)C(=O)c1cc([O-])c2ccccc2c1 ZINC001168947005 807540115 /nfs/dbraw/zinc/54/01/15/807540115.db2.gz JIMYUAJXWGHUQT-UHFFFAOYSA-N -1 3 299.248 3.111 20 0 CGADHM C[C@@H]1C[C@@H](Nc2ccc(=S)[n-]n2)c2ccccc21 ZINC001169363684 807631655 /nfs/dbraw/zinc/63/16/55/807631655.db2.gz JHBZWWOSESLAMR-BXKDBHETSA-N -1 3 257.362 3.426 20 0 CGADHM COc1ccc(C(C)(C)C)cc1[N-]S(=O)(=O)CC(C)C ZINC001259877505 807691171 /nfs/dbraw/zinc/69/11/71/807691171.db2.gz JSXXBFKMBNYKIH-UHFFFAOYSA-N -1 3 299.436 3.390 20 0 CGADHM CC(C)CS(=O)(=O)[N-]c1ccc(F)cc1OC(C)C ZINC001259885751 807691583 /nfs/dbraw/zinc/69/15/83/807691583.db2.gz MOIWOSMEUFBZLF-UHFFFAOYSA-N -1 3 289.372 3.011 20 0 CGADHM CCCCCC1CCC([N-]S(=O)(=O)C(F)F)CC1 ZINC001259962893 807694773 /nfs/dbraw/zinc/69/47/73/807694773.db2.gz VRCRIVSQYVNKMF-UHFFFAOYSA-N -1 3 283.384 3.268 20 0 CGADHM COc1nc(NCc2ncccc2[O-])cc2cc(F)ccc21 ZINC001169730622 807699640 /nfs/dbraw/zinc/69/96/40/807699640.db2.gz FCKXCVHKTMAYNT-UHFFFAOYSA-N -1 3 299.305 3.095 20 0 CGADHM [O-]c1cccnc1CNc1cc2cc(F)ccc2cn1 ZINC001169731417 807699676 /nfs/dbraw/zinc/69/96/76/807699676.db2.gz DPLZFMUMCBDHHZ-UHFFFAOYSA-N -1 3 269.279 3.087 20 0 CGADHM [O-]c1cccnc1CNc1ncccc1-c1ccccc1 ZINC001169734063 807701272 /nfs/dbraw/zinc/70/12/72/807701272.db2.gz VCZVMIQVDYHSBA-UHFFFAOYSA-N -1 3 277.327 3.461 20 0 CGADHM Cc1ccc(N[C@@H]2C[C@H]2c2ccccc2)cc1-c1nnn[n-]1 ZINC001169816672 807713252 /nfs/dbraw/zinc/71/32/52/807713252.db2.gz XJQXRKPOJOMDDU-JKSUJKDBSA-N -1 3 291.358 3.143 20 0 CGADHM Cc1ccc(N[C@@H]2C[C@H]2c2ccccc2)cc1-c1nn[n-]n1 ZINC001169816672 807713254 /nfs/dbraw/zinc/71/32/54/807713254.db2.gz XJQXRKPOJOMDDU-JKSUJKDBSA-N -1 3 291.358 3.143 20 0 CGADHM O=C([N-]c1c(F)ccnc1F)c1ccc(Cl)s1 ZINC001261216497 807716173 /nfs/dbraw/zinc/71/61/73/807716173.db2.gz ZXPDHGGHMSFKMZ-UHFFFAOYSA-N -1 3 274.679 3.327 20 0 CGADHM CCOc1ccc(CN[C@H]2C[C@@H](CCC(=O)[O-])C2(C)C)o1 ZINC001262383683 807864937 /nfs/dbraw/zinc/86/49/37/807864937.db2.gz GYRRXEOQOWQEHF-YPMHNXCESA-N -1 3 295.379 3.047 20 0 CGADHM CCCC[C@H](CC(C)C)[NH2+]CCCCP(=O)([O-])[O-] ZINC001173251390 808558184 /nfs/dbraw/zinc/55/81/84/808558184.db2.gz BLPDJIZVGUMEOZ-CYBMUJFWSA-N -1 3 279.361 3.139 20 0 CGADHM COc1ccc(Nc2cc(=O)n(-c3ccccc3)[n-]2)cc1 ZINC001173803447 808677470 /nfs/dbraw/zinc/67/74/70/808677470.db2.gz CHHJXYCGDCERKY-UHFFFAOYSA-N -1 3 281.315 3.330 20 0 CGADHM CN(C)c1nc(Nc2cccc(C(F)(F)F)c2)cc(=O)[n-]1 ZINC001173823077 808689854 /nfs/dbraw/zinc/68/98/54/808689854.db2.gz QSIPOAYKPDNIHC-UHFFFAOYSA-N -1 3 298.268 3.011 20 0 CGADHM COc1ccc(Nc2cccc([O-])c2Br)cn1 ZINC001173960866 808788040 /nfs/dbraw/zinc/78/80/40/808788040.db2.gz ILUKIWQUAPFJLH-UHFFFAOYSA-N -1 3 295.136 3.302 20 0 CGADHM CC(=O)Nc1ccc(Nc2cc(F)c([O-])c(F)c2)cc1 ZINC001173978262 808801235 /nfs/dbraw/zinc/80/12/35/808801235.db2.gz LCYGHIFVOWXPGF-UHFFFAOYSA-N -1 3 278.258 3.372 20 0 CGADHM O=c1cc(Nc2cnc3ccccc3c2)nc(C2CC2)[n-]1 ZINC001174001272 808814509 /nfs/dbraw/zinc/81/45/09/808814509.db2.gz OQFXXCFVZADJIE-UHFFFAOYSA-N -1 3 278.315 3.351 20 0 CGADHM CC(C)NC(=O)c1cccc([N-]c2nnc(C(C)C)o2)c1 ZINC001174184381 808896834 /nfs/dbraw/zinc/89/68/34/808896834.db2.gz WBIJVGRSJXELLC-UHFFFAOYSA-N -1 3 288.351 3.075 20 0 CGADHM COc1cc(Nc2cccc([O-])c2Br)ccn1 ZINC001174307072 808945919 /nfs/dbraw/zinc/94/59/19/808945919.db2.gz AMLZIZFFPOQCKL-UHFFFAOYSA-N -1 3 295.136 3.302 20 0 CGADHM Cn1nc(C(F)(F)F)cc1Nc1cc([O-])c(F)cc1F ZINC001174326686 808952812 /nfs/dbraw/zinc/95/28/12/808952812.db2.gz ZZVFJAKCZIHZBO-UHFFFAOYSA-N -1 3 293.195 3.166 20 0 CGADHM CC(=O)NCc1cccc(Nc2cccc(Cl)c2[O-])c1 ZINC001174369091 808979640 /nfs/dbraw/zinc/97/96/40/808979640.db2.gz JQJNAWHHBMVBNF-UHFFFAOYSA-N -1 3 290.750 3.425 20 0 CGADHM CC(C)c1nnc([N-]c2ccc(-c3cnn(C)c3)cc2)o1 ZINC001174376172 808983814 /nfs/dbraw/zinc/98/38/14/808983814.db2.gz LIYVVKLOLGHSKV-UHFFFAOYSA-N -1 3 283.335 3.337 20 0 CGADHM COc1cc(Nc2cc(=O)n(-c3ccccc3)[n-]2)ccc1O ZINC001174540962 809073979 /nfs/dbraw/zinc/07/39/79/809073979.db2.gz CGDFVPRAJLQAJR-UHFFFAOYSA-N -1 3 297.314 3.036 20 0 CGADHM [O-]c1ccc(Nc2ccc(O)c(F)c2)c(F)c1F ZINC001174735212 809146458 /nfs/dbraw/zinc/14/64/58/809146458.db2.gz QKSDAQKLLKEMSW-UHFFFAOYSA-N -1 3 255.195 3.259 20 0 CGADHM CC(=O)c1cccc(Nc2ccc([O-])c(F)c2)c1O ZINC001174738301 809147083 /nfs/dbraw/zinc/14/70/83/809147083.db2.gz XHHPIHWZFRBWDC-UHFFFAOYSA-N -1 3 261.252 3.183 20 0 CGADHM [O-]c1c(F)cc(Nc2ccc3c(c2)OCO3)cc1F ZINC001174864658 809182331 /nfs/dbraw/zinc/18/23/31/809182331.db2.gz ZOXQMYPPJQKSKS-UHFFFAOYSA-N -1 3 265.215 3.143 20 0 CGADHM Oc1c(F)cc([N-]c2nnc(-c3ccco3)o2)cc1F ZINC001213370205 815271092 /nfs/dbraw/zinc/27/10/92/815271092.db2.gz ACTIFRMGKMAWRM-UHFFFAOYSA-N -1 3 279.202 3.057 20 0 CGADHM [O-]c1c(F)cc(Nc2nnc(-c3ccco3)o2)cc1F ZINC001213370205 815271095 /nfs/dbraw/zinc/27/10/95/815271095.db2.gz ACTIFRMGKMAWRM-UHFFFAOYSA-N -1 3 279.202 3.057 20 0 CGADHM COc1cc(F)cc(Nc2ncc(Cl)cc2[O-])c1 ZINC001175007240 809235485 /nfs/dbraw/zinc/23/54/85/809235485.db2.gz IRWQAHFHAJQWPY-UHFFFAOYSA-N -1 3 268.675 3.332 20 0 CGADHM COc1cc(Cl)ncc1Nc1cc(F)c([O-])c(F)c1 ZINC001213377511 815273638 /nfs/dbraw/zinc/27/36/38/815273638.db2.gz RZUAQYVGAWAMJT-UHFFFAOYSA-N -1 3 286.665 3.471 20 0 CGADHM CC(=O)c1ccc(Nc2cc(F)c([O-])c(F)c2)cc1O ZINC001213382048 815274153 /nfs/dbraw/zinc/27/41/53/815274153.db2.gz XHXGRRYALYOWER-UHFFFAOYSA-N -1 3 279.242 3.322 20 0 CGADHM Nc1cc2c(cnn2-c2cc(F)c([O-])c(F)c2)c(Cl)c1 ZINC001213386743 815275288 /nfs/dbraw/zinc/27/52/88/815275288.db2.gz SKSYATWVSHYGFF-UHFFFAOYSA-N -1 3 295.676 3.245 20 0 CGADHM Cn1cnc2cc(Nc3c(F)cc([O-])cc3F)ccc21 ZINC001175097031 809269119 /nfs/dbraw/zinc/26/91/19/809269119.db2.gz LHCRCTSBLOXBSK-UHFFFAOYSA-N -1 3 275.258 3.301 20 0 CGADHM [O-]c1cc(F)c(Nc2cccc3nnsc32)c(F)c1 ZINC001175099504 809270893 /nfs/dbraw/zinc/27/08/93/809270893.db2.gz KGMSQKLKOCBGTL-UHFFFAOYSA-N -1 3 279.271 3.419 20 0 CGADHM [O-]c1cc(F)c(Nc2ccc(-c3nnco3)cc2)c(F)c1 ZINC001175099949 809271359 /nfs/dbraw/zinc/27/13/59/809271359.db2.gz INBNNWDLEGHNAO-UHFFFAOYSA-N -1 3 289.241 3.464 20 0 CGADHM [O-]c1cc(F)c(Nc2cccc3c2OCCO3)c(F)c1 ZINC001175100614 809271889 /nfs/dbraw/zinc/27/18/89/809271889.db2.gz YKHNHELCQKSTIC-UHFFFAOYSA-N -1 3 279.242 3.185 20 0 CGADHM Cc1ncc(Nc2cc(F)c(OC(C)C)c(F)c2)c(=O)[n-]1 ZINC001213421618 815278912 /nfs/dbraw/zinc/27/89/12/815278912.db2.gz FOFLAOKJEQVDHV-UHFFFAOYSA-N -1 3 295.289 3.300 20 0 CGADHM CCc1cccc(Nc2c(F)ccc([O-])c2F)n1 ZINC001175264558 809329202 /nfs/dbraw/zinc/32/92/02/809329202.db2.gz XDSVILLHDFXEDZ-UHFFFAOYSA-N -1 3 250.248 3.371 20 0 CGADHM COC(=O)c1cc(Nc2c(F)ccc([O-])c2F)cs1 ZINC001175263962 809329841 /nfs/dbraw/zinc/32/98/41/809329841.db2.gz ZSFIOKQHBWHATE-UHFFFAOYSA-N -1 3 285.271 3.262 20 0 CGADHM COc1cccc(N)c1Nc1c(F)ccc([O-])c1F ZINC001175270461 809334251 /nfs/dbraw/zinc/33/42/51/809334251.db2.gz ZVJGFPQZDZRCDW-UHFFFAOYSA-N -1 3 266.247 3.005 20 0 CGADHM Cc1ncc(Nc2cc(Cl)ccc2F)c(=O)[n-]1 ZINC001175298364 809342401 /nfs/dbraw/zinc/34/24/01/809342401.db2.gz BTNYIACEELXSPK-UHFFFAOYSA-N -1 3 253.664 3.027 20 0 CGADHM c1ccc2c(c1)cncc2Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175423934 809400501 /nfs/dbraw/zinc/40/05/01/809400501.db2.gz XZIDBTRTOGAYMV-UHFFFAOYSA-N -1 3 288.314 3.159 20 0 CGADHM c1ccc(C2CC2)c(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001175428390 809401121 /nfs/dbraw/zinc/40/11/21/809401121.db2.gz GVCNDAYWAWGOFI-UHFFFAOYSA-N -1 3 277.331 3.488 20 0 CGADHM Cc1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1F ZINC001175429361 809401895 /nfs/dbraw/zinc/40/18/95/809401895.db2.gz IJKZCWVJFLILLU-UHFFFAOYSA-N -1 3 269.283 3.058 20 0 CGADHM CCCCO[C@H]1C[C@@H](NC(=O)c2ccccc2[O-])C1(C)C ZINC001294441545 809469241 /nfs/dbraw/zinc/46/92/41/809469241.db2.gz TXLPFUPUXLYKPE-CABCVRRESA-N -1 3 291.391 3.106 20 0 CGADHM O=C(Cc1ccc(Cl)cn1)Nc1c([O-])cccc1Cl ZINC001298551240 809533623 /nfs/dbraw/zinc/53/36/23/809533623.db2.gz WUSUQPDDLOIZAX-UHFFFAOYSA-N -1 3 297.141 3.275 20 0 CGADHM CC(C)O[N-]C(=O)Cc1cc(Cl)cc2ccccc21 ZINC001298556258 809535198 /nfs/dbraw/zinc/53/51/98/809535198.db2.gz VZDKOFHWYILINM-UHFFFAOYSA-N -1 3 277.751 3.492 20 0 CGADHM COC1([C@@H](C)NC(=O)c2ccc(C(C)C)cc2[O-])CCC1 ZINC001299427626 809551167 /nfs/dbraw/zinc/55/11/67/809551167.db2.gz KNULJZUTXRLWDE-GFCCVEGCSA-N -1 3 291.391 3.203 20 0 CGADHM Cc1nonc1[N-]c1ccc(-c2ccccc2)nc1 ZINC001175832642 809551435 /nfs/dbraw/zinc/55/14/35/809551435.db2.gz JMTQFSKORJJPSX-UHFFFAOYSA-N -1 3 252.277 3.184 20 0 CGADHM O=c1cc(Nc2ccc(-c3ccccc3)nc2)[nH]c(=S)[n-]1 ZINC001175833389 809552431 /nfs/dbraw/zinc/55/24/31/809552431.db2.gz XVJNROXKCZQVMM-UHFFFAOYSA-N -1 3 296.355 3.277 20 0 CGADHM CCSc1ccc(CNC(=O)c2ccccc2[O-])cc1 ZINC001176021546 809604014 /nfs/dbraw/zinc/60/40/14/809604014.db2.gz WFMRCCJSTYEVMT-UHFFFAOYSA-N -1 3 287.384 3.434 20 0 CGADHM COc1nonc1[N-]c1ccc(OC(C)C)cc1Cl ZINC001176157040 809637461 /nfs/dbraw/zinc/63/74/61/809637461.db2.gz HLHDEVZMDLMFHX-UHFFFAOYSA-N -1 3 283.715 3.262 20 0 CGADHM COc1nonc1[N-]c1ccc(C(F)(F)F)cc1C ZINC001176205746 809647103 /nfs/dbraw/zinc/64/71/03/809647103.db2.gz WPUALAKJUWDBIV-UHFFFAOYSA-N -1 3 273.214 3.149 20 0 CGADHM Cc1cccc(CCC(=O)[N-]Oc2ccccc2F)c1 ZINC001177109342 809781060 /nfs/dbraw/zinc/78/10/60/809781060.db2.gz FWFBRYAPZHQIDQ-UHFFFAOYSA-N -1 3 273.307 3.177 20 0 CGADHM Cc1cc(Nc2cnc[n-]c2=O)cc(C)c1OC(C)C ZINC001213692566 815322821 /nfs/dbraw/zinc/32/28/21/815322821.db2.gz MCAZVJVWILCYLU-UHFFFAOYSA-N -1 3 273.336 3.330 20 0 CGADHM Cc1cc2cc(Nc3cnc(C)[n-]c3=O)ccc2[nH]1 ZINC001213789306 815332241 /nfs/dbraw/zinc/33/22/41/815332241.db2.gz DCIKFEHCZMDWAH-UHFFFAOYSA-N -1 3 254.293 3.024 20 0 CGADHM Cc1cc2ccccc2n1CC(=O)Nc1ccc(F)c([O-])c1 ZINC001180434233 810001098 /nfs/dbraw/zinc/00/10/98/810001098.db2.gz IADZFXJMZSWEPB-UHFFFAOYSA-N -1 3 298.317 3.433 20 0 CGADHM Cc1ncc(C(F)(F)F)cc1Nc1ncc(F)cc1[O-] ZINC001213828389 815337598 /nfs/dbraw/zinc/33/75/98/815337598.db2.gz HDEXJEMHSPEJBG-UHFFFAOYSA-N -1 3 287.216 3.392 20 0 CGADHM Cc1ncc(NC(=O)Nc2c(C)cccc2Cl)c(=O)[n-]1 ZINC001183806719 810163267 /nfs/dbraw/zinc/16/32/67/810163267.db2.gz DFENJGZBYVCLTE-UHFFFAOYSA-N -1 3 292.726 3.096 20 0 CGADHM CCc1ncoc1C(=O)[N-]c1cc(-c2cccs2)on1 ZINC001183923843 810170206 /nfs/dbraw/zinc/17/02/06/810170206.db2.gz HMVGVPSRLIUNBV-UHFFFAOYSA-N -1 3 289.316 3.206 20 0 CGADHM C[C@H](C(=O)Nc1ncccc1[O-])c1ccccc1Cl ZINC001184471043 810201455 /nfs/dbraw/zinc/20/14/55/810201455.db2.gz JVXGLDNCNVXDMQ-VIFPVBQESA-N -1 3 276.723 3.183 20 0 CGADHM Cc1n[nH]c2cc(NC(=O)c3c(C)cccc3[O-])cc(F)c12 ZINC001188648371 810499106 /nfs/dbraw/zinc/49/91/06/810499106.db2.gz GZRQNGONRMJQPF-UHFFFAOYSA-N -1 3 299.305 3.277 20 0 CGADHM Cc1[nH]nc2cc(NC(=O)c3c(C)cccc3[O-])cc(F)c12 ZINC001188648371 810499110 /nfs/dbraw/zinc/49/91/10/810499110.db2.gz GZRQNGONRMJQPF-UHFFFAOYSA-N -1 3 299.305 3.277 20 0 CGADHM Cc1cccc([O-])c1C(=O)Nc1c(C)cc(O)cc1C ZINC001188655729 810499984 /nfs/dbraw/zinc/49/99/84/810499984.db2.gz YLKXLNPXZFANKS-UHFFFAOYSA-N -1 3 271.316 3.275 20 0 CGADHM Cc1cccc([O-])c1C(=O)NCc1cccc2cc[nH]c21 ZINC001188659126 810500155 /nfs/dbraw/zinc/50/01/55/810500155.db2.gz HFTMXKJYLXYUHP-UHFFFAOYSA-N -1 3 280.327 3.112 20 0 CGADHM Cc1cccc([O-])c1C(=O)NCC(C)(C)c1ccccc1 ZINC001188654781 810500763 /nfs/dbraw/zinc/50/07/63/810500763.db2.gz GWXYZROPULGJNU-UHFFFAOYSA-N -1 3 283.371 3.408 20 0 CGADHM CC(C)(C)c1cc([N-]C(=O)Nc2nccs2)on1 ZINC001189344176 810561456 /nfs/dbraw/zinc/56/14/56/810561456.db2.gz GKDCDPQHYCHMLO-UHFFFAOYSA-N -1 3 266.326 3.073 20 0 CGADHM Nc1ccc(F)cc1Nc1ccc([O-])c(F)c1F ZINC001214206540 815384514 /nfs/dbraw/zinc/38/45/14/815384514.db2.gz WLPPUXSPQSLWCK-UHFFFAOYSA-N -1 3 254.211 3.135 20 0 CGADHM Cc1ccc([O-])c(NC(=O)Nc2ccc(F)c(C)c2)n1 ZINC001192345951 810789079 /nfs/dbraw/zinc/78/90/79/810789079.db2.gz BAJOSQVHJRGNSH-UHFFFAOYSA-N -1 3 275.283 3.187 20 0 CGADHM Cc1ccc(O)cc1Nc1ncc(Br)cc1[O-] ZINC001214338977 815397794 /nfs/dbraw/zinc/39/77/94/815397794.db2.gz KLHCCTXVWQZJAV-UHFFFAOYSA-N -1 3 295.136 3.307 20 0 CGADHM CC(C)[C@@H](C)NC(=O)c1ccc([O-])cc1C(F)(F)F ZINC001193733686 810945369 /nfs/dbraw/zinc/94/53/69/810945369.db2.gz LXDZKNCYBMDAQE-MRVPVSSYSA-N -1 3 275.270 3.185 20 0 CGADHM CCCCCCOC(=O)Nc1cc(=O)[n-]c(C2CC2)n1 ZINC001194157604 811024152 /nfs/dbraw/zinc/02/41/52/811024152.db2.gz KFNBHVLRCILDFD-UHFFFAOYSA-N -1 3 279.340 3.188 20 0 CGADHM CCCCCCOC(=O)Nc1ccc(C(=O)OC)cc1[O-] ZINC001194185023 811031199 /nfs/dbraw/zinc/03/11/99/811031199.db2.gz FBXLXIKNYZSOOR-UHFFFAOYSA-N -1 3 295.335 3.308 20 0 CGADHM O=C(Nc1ccc(F)c([O-])c1)c1ccc(C(F)(F)F)o1 ZINC001194414289 811071969 /nfs/dbraw/zinc/07/19/69/811071969.db2.gz IONKVPPEFVQTEA-UHFFFAOYSA-N -1 3 289.184 3.395 20 0 CGADHM COc1cc(F)ncc1Nc1c(Cl)ccc([O-])c1F ZINC001214559671 815424546 /nfs/dbraw/zinc/42/45/46/815424546.db2.gz SGADRNMKJOSQHZ-UHFFFAOYSA-N -1 3 286.665 3.471 20 0 CGADHM CCC(CC)COC(=O)Nc1cc(=O)[n-]c(C2CC2)n1 ZINC001194683365 811106242 /nfs/dbraw/zinc/10/62/42/811106242.db2.gz APJNOSRQTRAQER-UHFFFAOYSA-N -1 3 279.340 3.044 20 0 CGADHM Cc1nccc(Nc2c(Cl)ccc([O-])c2F)n1 ZINC001214554289 815422932 /nfs/dbraw/zinc/42/29/32/815422932.db2.gz PJENFNJHNDVTJU-UHFFFAOYSA-N -1 3 253.664 3.027 20 0 CGADHM Cc1ncnc(C)c1Nc1c(Cl)ccc([O-])c1F ZINC001214556487 815423307 /nfs/dbraw/zinc/42/33/07/815423307.db2.gz UPVLJNYASLRNPA-UHFFFAOYSA-N -1 3 267.691 3.335 20 0 CGADHM COC(=O)c1cccc(Nc2c(Cl)ccc([O-])c2F)n1 ZINC001214554677 815423393 /nfs/dbraw/zinc/42/33/93/815423393.db2.gz ZCUJJQPRAVSDBP-UHFFFAOYSA-N -1 3 296.685 3.110 20 0 CGADHM [O-]c1ccc(Cl)c(Nc2noc3cnccc32)c1F ZINC001214556599 815423768 /nfs/dbraw/zinc/42/37/68/815423768.db2.gz ZMNQVANGGIIUDC-UHFFFAOYSA-N -1 3 279.658 3.465 20 0 CGADHM CNC(=O)c1ccccc1Nc1c(Cl)ccc([O-])c1F ZINC001214561216 815424819 /nfs/dbraw/zinc/42/48/19/815424819.db2.gz AEUNMCNRDBXJRY-UHFFFAOYSA-N -1 3 294.713 3.288 20 0 CGADHM NC(=O)c1cccc(F)c1Nc1c(Cl)ccc([O-])c1F ZINC001214564508 815425686 /nfs/dbraw/zinc/42/56/86/815425686.db2.gz DVRUKRAJPQUFLG-UHFFFAOYSA-N -1 3 298.676 3.166 20 0 CGADHM O=C(Nc1ccc(F)c([O-])c1)c1cccnc1C1CC1 ZINC001195561853 811267310 /nfs/dbraw/zinc/26/73/10/811267310.db2.gz YRUYOWUATGSMSJ-UHFFFAOYSA-N -1 3 272.279 3.056 20 0 CGADHM COc1cccc(NC(=S)Nc2ccc([O-])c(F)c2)c1 ZINC001196049406 811313537 /nfs/dbraw/zinc/31/35/37/811313537.db2.gz FNXNUJPGDBACHM-UHFFFAOYSA-N -1 3 292.335 3.349 20 0 CGADHM CC(C)c1ccc(NC(=S)Nc2cnc[n-]c2=O)cc1 ZINC001198594886 811522669 /nfs/dbraw/zinc/52/26/69/811522669.db2.gz VPDRWGVAXSVBFD-UHFFFAOYSA-N -1 3 288.376 3.115 20 0 CGADHM COCOc1c(C)cccc1Nc1ncc(Cl)cc1[O-] ZINC001214844980 815455132 /nfs/dbraw/zinc/45/51/32/815455132.db2.gz YVBAWMANKKGVGZ-UHFFFAOYSA-N -1 3 294.738 3.475 20 0 CGADHM [O-]c1cc(Cl)cnc1Nc1ccc(C2CC2)nc1 ZINC001201703237 811940472 /nfs/dbraw/zinc/94/04/72/811940472.db2.gz XQGGSXYPUUEDMC-UHFFFAOYSA-N -1 3 261.712 3.457 20 0 CGADHM Cc1nc(Nc2cccc(Cl)c2F)cc(=O)[n-]1 ZINC001203032443 812221314 /nfs/dbraw/zinc/22/13/14/812221314.db2.gz RQRZYQSKBCBMFC-UHFFFAOYSA-N -1 3 253.664 3.027 20 0 CGADHM [O-]c1ccc(Nc2ccc(F)c3n[nH]cc32)c(F)c1F ZINC001215374826 815511608 /nfs/dbraw/zinc/51/16/08/815511608.db2.gz CPYLVGJEPJVOEJ-UHFFFAOYSA-N -1 3 279.221 3.429 20 0 CGADHM CCc1nc(OC)ccc1Nc1cc([O-])c(F)cc1F ZINC001203589099 812401881 /nfs/dbraw/zinc/40/18/81/812401881.db2.gz AQQDRLUGVFMIHF-UHFFFAOYSA-N -1 3 280.274 3.380 20 0 CGADHM O=c1cc(Nc2cc(F)cc3[nH]ccc32)nc(C2CC2)[n-]1 ZINC001203727889 812443505 /nfs/dbraw/zinc/44/35/05/812443505.db2.gz WHQBHWCVYKLPOW-UHFFFAOYSA-N -1 3 284.294 3.424 20 0 CGADHM [O-]c1cc(F)c(Nc2cc(C(F)(F)F)no2)cc1F ZINC001215571005 815537508 /nfs/dbraw/zinc/53/75/08/815537508.db2.gz UDDFREPTHUSPKT-UHFFFAOYSA-N -1 3 280.152 3.421 20 0 CGADHM Nc1cccc2c1c(Cl)nn2-c1cc(F)c([O-])cc1F ZINC001215576205 815539414 /nfs/dbraw/zinc/53/94/14/815539414.db2.gz NXKVCIFFMHHYAN-UHFFFAOYSA-N -1 3 295.676 3.245 20 0 CGADHM Cc1ncc(Nc2cc(OC(C)C)ccc2C)c(=O)[n-]1 ZINC001215583744 815542877 /nfs/dbraw/zinc/54/28/77/815542877.db2.gz MWSCOHVUFOFWBK-UHFFFAOYSA-N -1 3 273.336 3.330 20 0 CGADHM COc1ccc(Nc2cc(F)c([O-])c(F)c2)c2c[nH]nc21 ZINC001215751695 815575000 /nfs/dbraw/zinc/57/50/00/815575000.db2.gz VSIBGCFVFUQTPU-UHFFFAOYSA-N -1 3 291.257 3.299 20 0 CGADHM CC(C)Cn1cc(Nc2cc(F)c([O-])c(F)c2)cn1 ZINC001205870239 813115275 /nfs/dbraw/zinc/11/52/75/813115275.db2.gz DXUAPNKMWNQCGA-UHFFFAOYSA-N -1 3 267.279 3.267 20 0 CGADHM CSc1ccc(F)cc1-c1ccc(=S)[n-]n1 ZINC001205963725 813147558 /nfs/dbraw/zinc/14/75/58/813147558.db2.gz ZNPRTWQBZRBHRF-UHFFFAOYSA-N -1 3 252.339 3.293 20 0 CGADHM Cc1cccc2c1ncnc2-c1ccc([O-])cc1F ZINC001206021037 813167727 /nfs/dbraw/zinc/16/77/27/813167727.db2.gz CPWAETRQDVRESG-UHFFFAOYSA-N -1 3 254.264 3.450 20 0 CGADHM [O-]c1ccc(-c2nc(C3CC3)nc3[nH]ccc32)c(F)c1 ZINC001206044210 813179255 /nfs/dbraw/zinc/17/92/55/813179255.db2.gz FQEDERYHROGJDX-UHFFFAOYSA-N -1 3 269.279 3.299 20 0 CGADHM O=c1cc(Nc2ccccc2O)[n-]n1-c1ccccc1 ZINC001206202020 813238256 /nfs/dbraw/zinc/23/82/56/813238256.db2.gz RPMYBYHDYIQECR-UHFFFAOYSA-N -1 3 267.288 3.027 20 0 CGADHM CN1CCc2ccc(-c3csc(C(=O)[O-])c3)cc2C1 ZINC001206303953 813280279 /nfs/dbraw/zinc/28/02/79/813280279.db2.gz VTVBUCDRNKOBGY-UHFFFAOYSA-N -1 3 273.357 3.101 20 0 CGADHM Fc1ccc(-c2cnc3sccc3c2)cc1-c1nnn[n-]1 ZINC001242679806 823098336 /nfs/dbraw/zinc/09/83/36/823098336.db2.gz ICRFCQVYVSJREE-UHFFFAOYSA-N -1 3 297.318 3.283 20 0 CGADHM Fc1ccc(-c2cnc3sccc3c2)cc1-c1nn[n-]n1 ZINC001242679806 823098341 /nfs/dbraw/zinc/09/83/41/823098341.db2.gz ICRFCQVYVSJREE-UHFFFAOYSA-N -1 3 297.318 3.283 20 0 CGADHM O=c1cc(Nc2ccc3[nH]cnc3c2)[n-]n1-c1ccccc1 ZINC001209844999 814161827 /nfs/dbraw/zinc/16/18/27/814161827.db2.gz UACOALCTUOABBX-UHFFFAOYSA-N -1 3 291.314 3.198 20 0 CGADHM CCCOc1ccc(Nc2ncc(F)cc2[O-])cc1 ZINC001209864537 814175932 /nfs/dbraw/zinc/17/59/32/814175932.db2.gz DDDQDJYALOPQHW-UHFFFAOYSA-N -1 3 262.284 3.459 20 0 CGADHM O=C([O-])Cc1cccc(Nc2ccnc(C3CC3)c2)c1 ZINC001210072626 814274703 /nfs/dbraw/zinc/27/47/03/814274703.db2.gz RJWOOWLVWXIAIB-UHFFFAOYSA-N -1 3 268.316 3.330 20 0 CGADHM Cc1c(F)c(F)ccc1Nc1ncc(F)cc1[O-] ZINC001210130358 814303876 /nfs/dbraw/zinc/30/38/76/814303876.db2.gz OSTUXYOVQNBONB-UHFFFAOYSA-N -1 3 254.211 3.257 20 0 CGADHM COc1ccc(N)c(Nc2cccc(Cl)c2[O-])c1 ZINC001210218558 814346415 /nfs/dbraw/zinc/34/64/15/814346415.db2.gz AKHYMICXRMKRPB-UHFFFAOYSA-N -1 3 264.712 3.380 20 0 CGADHM CCOC(=O)c1ccc(Nc2cccc(Cl)c2[O-])cn1 ZINC001210218102 814346508 /nfs/dbraw/zinc/34/65/08/814346508.db2.gz DMVLCAOEHRQFDS-UHFFFAOYSA-N -1 3 292.722 3.361 20 0 CGADHM NC(=O)c1c(F)cccc1Nc1cccc(Cl)c1[O-] ZINC001210219443 814346904 /nfs/dbraw/zinc/34/69/04/814346904.db2.gz KEVDJJYWYFPWPJ-UHFFFAOYSA-N -1 3 280.686 3.027 20 0 CGADHM Nc1cc2c(cc1Nc1cccc(Cl)c1[O-])OCO2 ZINC001210221907 814349159 /nfs/dbraw/zinc/34/91/59/814349159.db2.gz CDFVAEWCXCIFNP-UHFFFAOYSA-N -1 3 278.695 3.100 20 0 CGADHM NC(=O)c1cccc(F)c1Nc1cccc(Cl)c1[O-] ZINC001210222535 814349271 /nfs/dbraw/zinc/34/92/71/814349271.db2.gz MTLYVLZMQZODEW-UHFFFAOYSA-N -1 3 280.686 3.027 20 0 CGADHM [O-]c1c(Cl)cccc1Nc1ccc(CO)cc1F ZINC001210221965 814349838 /nfs/dbraw/zinc/34/98/38/814349838.db2.gz GUEAVQYMTHQSNY-UHFFFAOYSA-N -1 3 267.687 3.421 20 0 CGADHM C[C@H](O)c1cccc(Nc2cc([O-])c(F)cc2F)c1 ZINC001210509272 814498960 /nfs/dbraw/zinc/49/89/60/814498960.db2.gz RRLURCTUHJFBBE-QMMMGPOBSA-N -1 3 265.259 3.467 20 0 CGADHM O=c1cc(Nc2cc(O)ccc2F)[n-]n1-c1ccccc1 ZINC001210799845 814632627 /nfs/dbraw/zinc/63/26/27/814632627.db2.gz HHEKNDPVJSJTBZ-UHFFFAOYSA-N -1 3 285.278 3.166 20 0 CGADHM CCc1ccnc(-c2cc([O-])cc(C(F)(F)F)c2)n1 ZINC001242780800 823131123 /nfs/dbraw/zinc/13/11/23/823131123.db2.gz SBPYAWUBVNQOHL-UHFFFAOYSA-N -1 3 268.238 3.430 20 0 CGADHM [O-]c1cc(-c2ncc(CF)cn2)cc(C(F)(F)F)c1 ZINC001242781365 823131749 /nfs/dbraw/zinc/13/17/49/823131749.db2.gz FIILPNLCTBJXAY-UHFFFAOYSA-N -1 3 272.201 3.338 20 0 CGADHM CSc1nccc(Nc2cccc([O-])c2Cl)n1 ZINC001210844463 814649345 /nfs/dbraw/zinc/64/93/45/814649345.db2.gz ITPCNAQTJQSWHC-UHFFFAOYSA-N -1 3 267.741 3.301 20 0 CGADHM CCn1ncc(Nc2cccc([O-])c2Cl)c1C ZINC001210845203 814651159 /nfs/dbraw/zinc/65/11/59/814651159.db2.gz UWYQJOACHHBEKV-UHFFFAOYSA-N -1 3 251.717 3.314 20 0 CGADHM [O-]c1cccc(Nc2cccn3nccc23)c1Cl ZINC001210855452 814652083 /nfs/dbraw/zinc/65/20/83/814652083.db2.gz OFMBQOXQMFJPRT-UHFFFAOYSA-N -1 3 259.696 3.437 20 0 CGADHM Nc1ccc(-c2nccn2-c2cccc([O-])c2Cl)cc1 ZINC001210854604 814652376 /nfs/dbraw/zinc/65/23/76/814652376.db2.gz HLCMYCSVHAMWJG-UHFFFAOYSA-N -1 3 285.734 3.481 20 0 CGADHM [O-]c1cccc(Nc2cccc(-n3nccn3)c2)c1Cl ZINC001210859662 814653516 /nfs/dbraw/zinc/65/35/16/814653516.db2.gz JKTOOWMTNXGYRS-UHFFFAOYSA-N -1 3 286.722 3.370 20 0 CGADHM O=c1cc(Nc2cccc(OC3CC3)c2)nc(C2CC2)[n-]1 ZINC001210859417 814653958 /nfs/dbraw/zinc/65/39/58/814653958.db2.gz TYZLLIMRRBMJBE-UHFFFAOYSA-N -1 3 283.331 3.344 20 0 CGADHM Cc1cnc(F)c(Nc2cc(F)c([O-])cc2F)c1 ZINC001211506278 814899448 /nfs/dbraw/zinc/89/94/48/814899448.db2.gz VALLOGHNXKWMPB-UHFFFAOYSA-N -1 3 254.211 3.257 20 0 CGADHM CSc1cc(F)c([N-]c2cnns2)c(F)c1 ZINC001215841348 815611866 /nfs/dbraw/zinc/61/18/66/815611866.db2.gz QTOKCHDSNBPYAP-UHFFFAOYSA-N -1 3 259.306 3.282 20 0 CGADHM Cc1ccc(Nc2cc(=O)[n-]c(C)n2)c(OC(C)C)c1 ZINC001215877854 815621623 /nfs/dbraw/zinc/62/16/23/815621623.db2.gz VRUMXRKKLMDVQV-UHFFFAOYSA-N -1 3 273.336 3.330 20 0 CGADHM CCc1[nH]nc2ncc(-c3ccc4c(c3)[N-]C(=S)C4)cc12 ZINC001242827105 823146231 /nfs/dbraw/zinc/14/62/31/823146231.db2.gz XNZGMTAMRGSXDF-UHFFFAOYSA-N -1 3 294.383 3.483 20 0 CGADHM CCc1cccnc1-c1noc(-c2c([O-])cc(C)cc2O)n1 ZINC001216272288 815762793 /nfs/dbraw/zinc/76/27/93/815762793.db2.gz SQJNPZQLYVTLPQ-UHFFFAOYSA-N -1 3 297.314 3.081 20 0 CGADHM Cc1cc([O-])c(-c2nc(-c3cnc(C)c(C)c3)no2)c(O)c1 ZINC001216272250 815763372 /nfs/dbraw/zinc/76/33/72/815763372.db2.gz QSZWNIHPZJQZOR-UHFFFAOYSA-N -1 3 297.314 3.135 20 0 CGADHM [O-]c1ccc(Nc2ccc(CO)cc2F)cc1Cl ZINC001216274554 815764207 /nfs/dbraw/zinc/76/42/07/815764207.db2.gz YOXGIUJYTUYMSQ-UHFFFAOYSA-N -1 3 267.687 3.421 20 0 CGADHM Cc1nc(Nc2cc3c(cccc3F)o2)cc(=O)[n-]1 ZINC001216292055 815770187 /nfs/dbraw/zinc/77/01/87/815770187.db2.gz UQCLRGCFJJHCPH-UHFFFAOYSA-N -1 3 259.240 3.120 20 0 CGADHM Fc1ccc([N-]c2noc3nccnc23)c2occc21 ZINC001216295777 815770819 /nfs/dbraw/zinc/77/08/19/815770819.db2.gz UCHKYRMUGKIJKD-UHFFFAOYSA-N -1 3 270.223 3.247 20 0 CGADHM Cc1ncc(Nc2ccc(F)c3ccoc32)c(=O)[n-]1 ZINC001216296735 815771151 /nfs/dbraw/zinc/77/11/51/815771151.db2.gz LHSIZFXQUQJDCD-UHFFFAOYSA-N -1 3 259.240 3.120 20 0 CGADHM NC(=O)c1ccc(Nc2cc(F)ccc2Cl)cc1[O-] ZINC001216480431 815835795 /nfs/dbraw/zinc/83/57/95/815835795.db2.gz AXCOJTWXEUDZLS-UHFFFAOYSA-N -1 3 280.686 3.027 20 0 CGADHM Cc1ccc(-c2noc(-c3c([O-])cc(O)cc3O)n2)cc1C ZINC001216727220 815894736 /nfs/dbraw/zinc/89/47/36/815894736.db2.gz VETRDSOHVDHJAD-UHFFFAOYSA-N -1 3 298.298 3.137 20 0 CGADHM CSc1ccccc1-c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001242944230 823182555 /nfs/dbraw/zinc/18/25/55/823182555.db2.gz QLNYITZHNHHSCZ-UHFFFAOYSA-N -1 3 286.335 3.395 20 0 CGADHM CSc1ccccc1-c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001242944230 823182559 /nfs/dbraw/zinc/18/25/59/823182559.db2.gz QLNYITZHNHHSCZ-UHFFFAOYSA-N -1 3 286.335 3.395 20 0 CGADHM CC1(C)Cc2cc(-c3ccc(F)c([O-])c3)ccc2C(=O)N1 ZINC001243049991 823226569 /nfs/dbraw/zinc/22/65/69/823226569.db2.gz JLGKOJWOKRXQNA-UHFFFAOYSA-N -1 3 285.318 3.263 20 0 CGADHM CC1(C)Cc2ccc(-c3ccc(F)c([O-])c3)cc2C(=O)N1 ZINC001243051672 823228361 /nfs/dbraw/zinc/22/83/61/823228361.db2.gz SKCVAGTVKBGOHK-UHFFFAOYSA-N -1 3 285.318 3.263 20 0 CGADHM [O-]c1cc(-c2ccc3ncnn3c2C(F)(F)F)ccc1F ZINC001243052045 823228396 /nfs/dbraw/zinc/22/83/96/823228396.db2.gz WEJLDSAMNDLZNT-UHFFFAOYSA-N -1 3 297.211 3.260 20 0 CGADHM [O-]c1cc(-c2ncnc3c(F)c(F)ccc23)ccc1F ZINC001243051728 823228398 /nfs/dbraw/zinc/22/83/98/823228398.db2.gz YJPVXBCLAOWDER-UHFFFAOYSA-N -1 3 276.217 3.420 20 0 CGADHM Cc1[nH]c2ncnc(-c3ccc(F)c([O-])c3)c2c1C ZINC001243054296 823230245 /nfs/dbraw/zinc/23/02/45/823230245.db2.gz MPGVHWHVMBNRRE-UHFFFAOYSA-N -1 3 257.268 3.086 20 0 CGADHM O=C(c1ccc(-c2ccc(F)c([O-])c2)cc1)N1CCCC1 ZINC001243062287 823232851 /nfs/dbraw/zinc/23/28/51/823232851.db2.gz MZDUCECRUKIQLZ-UHFFFAOYSA-N -1 3 285.318 3.434 20 0 CGADHM C[C@H](Oc1ccc2c([O-])coc2c1)c1cccnc1Cl ZINC001225343456 817019655 /nfs/dbraw/zinc/01/96/55/817019655.db2.gz XHQAXQKLPVJDPO-VIFPVBQESA-N -1 3 289.718 3.450 20 0 CGADHM COCc1cc(O[C@@H](C)c2ccccc2)[n-]c(=S)n1 ZINC001225932609 817221898 /nfs/dbraw/zinc/22/18/98/817221898.db2.gz MXJUJNCZJDGVIB-JTQLQIEISA-N -1 3 276.361 3.052 20 0 CGADHM CC(=O)c1ccc([O-])c(O[C@H](C)c2ccncc2F)c1 ZINC001225993594 817241314 /nfs/dbraw/zinc/24/13/14/817241314.db2.gz HYSSFCJSMJPXAO-SNVBAGLBSA-N -1 3 275.279 3.269 20 0 CGADHM Cc1c(=O)[n-]cnc1O[C@@H]1CCc2cc(Cl)ccc21 ZINC001226077415 817267410 /nfs/dbraw/zinc/26/74/10/817267410.db2.gz RXNYIMCRZPSFKR-GFCCVEGCSA-N -1 3 276.723 3.210 20 0 CGADHM CC(=O)c1ccc([O-])c(OC(C(C)C)C(C)C)c1O ZINC001226482534 817371037 /nfs/dbraw/zinc/37/10/37/817371037.db2.gz OXUWCIUXTWQGKU-UHFFFAOYSA-N -1 3 266.337 3.360 20 0 CGADHM CC(=O)c1ccc([O-])c(O[C@@H](C)Cc2ccccc2)c1O ZINC001226482732 817371818 /nfs/dbraw/zinc/37/18/18/817371818.db2.gz PIMKNPZYGUXEBP-NSHDSACASA-N -1 3 286.327 3.310 20 0 CGADHM CCC[C@H](C)Oc1cc2c(C)cc(=O)oc2cc1[O-] ZINC001226532026 817389227 /nfs/dbraw/zinc/38/92/27/817389227.db2.gz MAVFTHRPAGEGKM-JTQLQIEISA-N -1 3 262.305 3.374 20 0 CGADHM [O-]c1cccc(OCCOC2CCCC2)c1Cl ZINC001226710053 817441896 /nfs/dbraw/zinc/44/18/96/817441896.db2.gz UXJYBNLIXODSLH-UHFFFAOYSA-N -1 3 256.729 3.384 20 0 CGADHM CCOC(=O)[C@H]1CC[C@H](Oc2cccc([O-])c2Cl)C1 ZINC001226709791 817442279 /nfs/dbraw/zinc/44/22/79/817442279.db2.gz SPTRZGQYKIEBDY-UWVGGRQHSA-N -1 3 284.739 3.156 20 0 CGADHM Cc1cc(O[C@H]2CCc3c2cccc3C)[n-]c(=S)n1 ZINC001226800375 817469666 /nfs/dbraw/zinc/46/96/66/817469666.db2.gz GRYKSRKZOPIZIJ-ZDUSSCGKSA-N -1 3 272.373 3.448 20 0 CGADHM C[C@@H](CCc1ccccc1)Oc1ccnc(=S)[n-]1 ZINC001226938529 817510489 /nfs/dbraw/zinc/51/04/89/817510489.db2.gz ALTBCYFCODXZDY-NSHDSACASA-N -1 3 260.362 3.165 20 0 CGADHM Cc1ccc([C@H](Oc2ccc(=O)[n-]n2)C(F)(F)F)cc1 ZINC001227093528 817556004 /nfs/dbraw/zinc/55/60/04/817556004.db2.gz NMVORSOKCLHBGF-LBPRGKRZSA-N -1 3 284.237 3.173 20 0 CGADHM O=c1cc(OCCOC2CCCC2)[n-]c(C(F)(F)F)c1 ZINC001227582881 817676365 /nfs/dbraw/zinc/67/63/65/817676365.db2.gz HBMWXDGBVCNDJW-UHFFFAOYSA-N -1 3 291.269 3.144 20 0 CGADHM CCN1CC[C@H](Oc2cc(Cl)c([O-])cc2Cl)C1 ZINC001227642115 817687653 /nfs/dbraw/zinc/68/76/53/817687653.db2.gz VOYLKQQLBQLXMR-QMMMGPOBSA-N -1 3 276.163 3.172 20 0 CGADHM CCC[C@@H]1CCCC[C@H]1Oc1nc(C(=O)OC)ccc1[O-] ZINC001227824453 817727732 /nfs/dbraw/zinc/72/77/32/817727732.db2.gz IJUGNDJKHQDTCR-BXUZGUMPSA-N -1 3 293.363 3.312 20 0 CGADHM O=C(c1ccccc1)c1ccc([O-])c(O[C@H]2CCCOC2)c1 ZINC001228153083 817826746 /nfs/dbraw/zinc/82/67/46/817826746.db2.gz AJHITELWZXNPLI-HNNXBMFYSA-N -1 3 298.338 3.181 20 0 CGADHM CC[C@@H]1CCCC[C@H]1Oc1nnc(-c2cccnc2)[n-]1 ZINC001228695034 817975611 /nfs/dbraw/zinc/97/56/11/817975611.db2.gz ISAVQSNKXAVRRK-DGCLKSJQSA-N -1 3 272.352 3.214 20 0 CGADHM CC[C@@H]1CCCC[C@H]1Oc1nc(-c2cccnc2)n[n-]1 ZINC001228695034 817975615 /nfs/dbraw/zinc/97/56/15/817975615.db2.gz ISAVQSNKXAVRRK-DGCLKSJQSA-N -1 3 272.352 3.214 20 0 CGADHM CC[C@@H]1CCCC[C@H]1Oc1n[n-]c(-c2cccnc2)n1 ZINC001228695034 817975619 /nfs/dbraw/zinc/97/56/19/817975619.db2.gz ISAVQSNKXAVRRK-DGCLKSJQSA-N -1 3 272.352 3.214 20 0 CGADHM CC1(C)CCC(Oc2n[n-]c(-c3ccncc3)n2)CC1 ZINC001228696689 817976944 /nfs/dbraw/zinc/97/69/44/817976944.db2.gz BNLMAGHPVKEUGB-UHFFFAOYSA-N -1 3 272.352 3.214 20 0 CGADHM C[C@@H]1CC[C@@H](Oc2n[n-]c(-c3ccncc3)n2)C[C@@H]1C ZINC001228697682 817977250 /nfs/dbraw/zinc/97/72/50/817977250.db2.gz NZDSVYCBBBCQGY-NTZNESFSSA-N -1 3 272.352 3.070 20 0 CGADHM O=C1CCc2cc([O-])c(O[C@H](c3cccnc3)C3CC3)cc21 ZINC001228853353 818023784 /nfs/dbraw/zinc/02/37/84/818023784.db2.gz HYVFLXUNKAQDBF-SFHVURJKSA-N -1 3 295.338 3.446 20 0 CGADHM O=C1CCc2cc([O-])c(O[C@H]3CCCc4cccnc43)cc21 ZINC001228859033 818024729 /nfs/dbraw/zinc/02/47/29/818024729.db2.gz UNBFIRRXYNNBCB-INIZCTEOSA-N -1 3 295.338 3.373 20 0 CGADHM C[C@@H](Oc1cccc(-c2nnn[n-]2)c1)c1cccc(F)c1 ZINC001231115467 818034137 /nfs/dbraw/zinc/03/41/37/818034137.db2.gz HIUJHMNKZAQQOY-SNVBAGLBSA-N -1 3 284.294 3.146 20 0 CGADHM C[C@@H](Oc1cccc(-c2nn[n-]n2)c1)c1cccc(F)c1 ZINC001231115467 818034142 /nfs/dbraw/zinc/03/41/42/818034142.db2.gz HIUJHMNKZAQQOY-SNVBAGLBSA-N -1 3 284.294 3.146 20 0 CGADHM Cc1cccc2c1CC[C@@H]2Oc1cccc(-c2nnn[n-]2)c1 ZINC001231115228 818034837 /nfs/dbraw/zinc/03/48/37/818034837.db2.gz FGHPVLNHKRHGKJ-INIZCTEOSA-N -1 3 292.342 3.241 20 0 CGADHM Cc1cccc2c1CC[C@@H]2Oc1cccc(-c2nn[n-]n2)c1 ZINC001231115228 818034844 /nfs/dbraw/zinc/03/48/44/818034844.db2.gz FGHPVLNHKRHGKJ-INIZCTEOSA-N -1 3 292.342 3.241 20 0 CGADHM [O-]c1ccccc1Oc1ccccc1O[C@@H]1COC[C@H]1F ZINC001231219202 818060114 /nfs/dbraw/zinc/06/01/14/818060114.db2.gz SCESPZTZPQWHDF-BDJLRTHQSA-N -1 3 290.290 3.300 20 0 CGADHM [O-]c1cc(CN2CC[C@@H](C(F)(F)F)C2)ccc1Cl ZINC001231734460 818163151 /nfs/dbraw/zinc/16/31/51/818163151.db2.gz ZZJCDZYLUAVKEB-SECBINFHSA-N -1 3 279.689 3.430 20 0 CGADHM COC(C)(C)[C@H]1CCCN1Cc1ccc(F)c([O-])c1F ZINC001232934573 818474815 /nfs/dbraw/zinc/47/48/15/818474815.db2.gz IBHLKAAMKQDNGZ-GFCCVEGCSA-N -1 3 285.334 3.060 20 0 CGADHM [O-]c1cc(CN2CCC3(CC3)CC2)cc(F)c1F ZINC001232970985 818488115 /nfs/dbraw/zinc/48/81/15/818488115.db2.gz POEBICYLHAOSQC-UHFFFAOYSA-N -1 3 253.292 3.046 20 0 CGADHM [O-]c1cnc(Cl)cc1CN1CC(c2ccccc2)C1 ZINC001233038909 818507995 /nfs/dbraw/zinc/50/79/95/818507995.db2.gz JGHFIORMDSIBGZ-UHFFFAOYSA-N -1 3 274.751 3.040 20 0 CGADHM [O-]c1cccc(CN2CCC[C@@H]2c2ccccn2)c1F ZINC001233054064 818513896 /nfs/dbraw/zinc/51/38/96/818513896.db2.gz ZEHXFYZKGMEAIY-CQSZACIVSA-N -1 3 272.323 3.263 20 0 CGADHM CN(Cc1ccc(F)cc1F)Cc1cccc([O-])c1F ZINC001233056762 818515698 /nfs/dbraw/zinc/51/56/98/818515698.db2.gz HUDHEPGWUTYSRK-UHFFFAOYSA-N -1 3 281.277 3.442 20 0 CGADHM CO[C@H](C)CO[C@H](C)COc1cc(Cl)c([O-])cc1C ZINC001233596277 818653534 /nfs/dbraw/zinc/65/35/34/818653534.db2.gz XDBWSRRNHMERAZ-GHMZBOCLSA-N -1 3 288.771 3.173 20 0 CGADHM CC1(C)[C@@H]2C[C@@H](Oc3ccc4occ([O-])c4c3)C[C@@H]21 ZINC001233679394 818678462 /nfs/dbraw/zinc/67/84/62/818678462.db2.gz BRRVNSJVZIIZLV-UOJUARBOSA-N -1 3 258.317 3.075 20 0 CGADHM C[C@@H]1CCC[C@@H](Oc2ccc3occ([O-])c3c2)[C@@H]1C ZINC001233681026 818679203 /nfs/dbraw/zinc/67/92/03/818679203.db2.gz PYGBWWGPCXINLN-UEKVPHQBSA-N -1 3 260.333 3.465 20 0 CGADHM CCC[C@@H]1CCCC[C@H]1Oc1cccc([O-])c1C(N)=O ZINC001234149089 818792415 /nfs/dbraw/zinc/79/24/15/818792415.db2.gz MEFOTOVOBPKGKV-DGCLKSJQSA-N -1 3 277.364 3.229 20 0 CGADHM [O-]c1cccc2[nH]c(O[C@@H]3CCCc4cccnc43)nc21 ZINC001234445582 818855929 /nfs/dbraw/zinc/85/59/29/818855929.db2.gz AEJXXJPMLGSCQR-CYBMUJFWSA-N -1 3 281.315 3.120 20 0 CGADHM O=C1CCCC[C@H]1Oc1c([O-])cc(Cl)cc1F ZINC001234443256 818856075 /nfs/dbraw/zinc/85/60/75/818856075.db2.gz FAEOLNXFVYKOGX-LLVKDONJSA-N -1 3 258.676 3.075 20 0 CGADHM CC(C)Oc1cncc(COc2nc3c(cccc3[O-])[nH]2)c1 ZINC001234452936 818859540 /nfs/dbraw/zinc/85/95/40/818859540.db2.gz RIKWUQQHPGHXTA-UHFFFAOYSA-N -1 3 299.330 3.030 20 0 CGADHM [O-]c1cc(Cl)cc(-c2ncc3ncsc3n2)c1 ZINC001235898218 819207523 /nfs/dbraw/zinc/20/75/23/819207523.db2.gz DHDRKAWLBXLPGZ-UHFFFAOYSA-N -1 3 263.709 3.112 20 0 CGADHM COC(=O)c1cc(-c2cc([O-])cc(Cl)c2)ncc1C ZINC001235898473 819207950 /nfs/dbraw/zinc/20/79/50/819207950.db2.gz INXHDENIUNTYEO-UHFFFAOYSA-N -1 3 277.707 3.203 20 0 CGADHM [O-]c1cc(Cl)cc(-c2ccc3nccnc3n2)c1 ZINC001235899580 819209079 /nfs/dbraw/zinc/20/90/79/819209079.db2.gz IPRHPUXPCDFGNX-UHFFFAOYSA-N -1 3 257.680 3.051 20 0 CGADHM CSc1nc(-c2cc([O-])cc(Cl)c2)ncc1F ZINC001235899032 819209654 /nfs/dbraw/zinc/20/96/54/819209654.db2.gz ARDHOPVSLMWORZ-UHFFFAOYSA-N -1 3 270.716 3.364 20 0 CGADHM [O-]c1cc(Cl)cc(-c2ncnc3c2CCCC3)c1 ZINC001235901705 819211873 /nfs/dbraw/zinc/21/18/73/819211873.db2.gz XMAPJVWRLKCLPP-UHFFFAOYSA-N -1 3 260.724 3.381 20 0 CGADHM COc1nc(C)nc(-c2cc([O-])cc(Cl)c2)c1C ZINC001235901665 819212258 /nfs/dbraw/zinc/21/22/58/819212258.db2.gz XHVGDWCJCURUKW-UHFFFAOYSA-N -1 3 264.712 3.128 20 0 CGADHM COC(=O)c1c(F)cncc1-c1cc([O-])cc(Cl)c1 ZINC001235906584 819216304 /nfs/dbraw/zinc/21/63/04/819216304.db2.gz NPNYGLORTUIWFN-UHFFFAOYSA-N -1 3 281.670 3.033 20 0 CGADHM Cc1c2[nH]cnc2ncc1-c1c(F)cc(F)c([O-])c1F ZINC001235997010 819265712 /nfs/dbraw/zinc/26/57/12/819265712.db2.gz NKOPDIZVDIPPMI-UHFFFAOYSA-N -1 3 279.221 3.056 20 0 CGADHM Cc1ccc(-c2ccc(Cl)cc2)cc1-c1nnn[n-]1 ZINC001236097996 819316161 /nfs/dbraw/zinc/31/61/61/819316161.db2.gz PMGPFHKFCKDKRR-UHFFFAOYSA-N -1 3 270.723 3.496 20 0 CGADHM Cc1ccc(-c2ccc(Cl)cc2)cc1-c1nn[n-]n1 ZINC001236097996 819316166 /nfs/dbraw/zinc/31/61/66/819316166.db2.gz PMGPFHKFCKDKRR-UHFFFAOYSA-N -1 3 270.723 3.496 20 0 CGADHM Cc1ccccc1CN(C)Cc1sc(=O)[n-]c1Cl ZINC001237150215 819680306 /nfs/dbraw/zinc/68/03/06/819680306.db2.gz MZURGXRJBRWKIZ-UHFFFAOYSA-N -1 3 282.796 3.443 20 0 CGADHM O=c1[n-]c(Cl)c(CN2CCc3ccccc3C2)s1 ZINC001237160709 819684364 /nfs/dbraw/zinc/68/43/64/819684364.db2.gz JMDWPDBLVOXFLJ-UHFFFAOYSA-N -1 3 280.780 3.060 20 0 CGADHM CCOc1c(F)cccc1-c1ccc(-c2nnn[n-]2)cc1C ZINC001243536955 823433680 /nfs/dbraw/zinc/43/36/80/823433680.db2.gz UIHGSTKMANAWDM-UHFFFAOYSA-N -1 3 298.321 3.380 20 0 CGADHM CCOc1c(F)cccc1-c1ccc(-c2nn[n-]n2)cc1C ZINC001243536955 823433682 /nfs/dbraw/zinc/43/36/82/823433682.db2.gz UIHGSTKMANAWDM-UHFFFAOYSA-N -1 3 298.321 3.380 20 0 CGADHM CC1(C)CNc2cc(-c3cccc([O-])c3F)cnc21 ZINC001243548467 823440343 /nfs/dbraw/zinc/44/03/43/823440343.db2.gz FESZYKYBJNJUTK-UHFFFAOYSA-N -1 3 258.296 3.296 20 0 CGADHM COc1cc2c(cc1F)ncnc2-c1cccc([O-])c1F ZINC001243542101 823436649 /nfs/dbraw/zinc/43/66/49/823436649.db2.gz LDKIMQNMRMJWAW-UHFFFAOYSA-N -1 3 288.253 3.289 20 0 CGADHM [O-]c1cccc(-c2ccc(-c3ccccn3)nn2)c1F ZINC001243542992 823436766 /nfs/dbraw/zinc/43/67/66/823436766.db2.gz BRIYEKIXESDESD-UHFFFAOYSA-N -1 3 267.263 3.050 20 0 CGADHM COC(=O)c1cc2[nH]ccc2cc1-c1cccc([O-])c1F ZINC001243544468 823437457 /nfs/dbraw/zinc/43/74/57/823437457.db2.gz HLDAKHXOMAUPFE-UHFFFAOYSA-N -1 3 285.274 3.466 20 0 CGADHM Cc1cc2c(cc1-c1cccc([O-])c1F)CC(=O)N2 ZINC001243545622 823438013 /nfs/dbraw/zinc/43/80/13/823438013.db2.gz OIVULIFKXDCAPS-UHFFFAOYSA-N -1 3 257.264 3.001 20 0 CGADHM O=c1ccc(-c2cccc([O-])c2F)cn1-c1ccccc1 ZINC001243545800 823438069 /nfs/dbraw/zinc/43/80/69/823438069.db2.gz GSIRHSCSFLTHGJ-UHFFFAOYSA-N -1 3 281.286 3.349 20 0 CGADHM COc1ncnc2ccc(-c3cccc([O-])c3F)cc21 ZINC001243545203 823438116 /nfs/dbraw/zinc/43/81/16/823438116.db2.gz XSKMBFMNTYAYOY-UHFFFAOYSA-N -1 3 270.263 3.150 20 0 CGADHM COC(=O)c1cc(F)ccc1-c1cccc([O-])c1F ZINC001243545235 823438267 /nfs/dbraw/zinc/43/82/67/823438267.db2.gz YZKRFJKSUZEQRB-UHFFFAOYSA-N -1 3 264.227 3.124 20 0 CGADHM CC(C)COc1nccnc1-c1cccc([O-])c1F ZINC001243545664 823438400 /nfs/dbraw/zinc/43/84/00/823438400.db2.gz AVBMAPOKCSLXEN-UHFFFAOYSA-N -1 3 262.284 3.023 20 0 CGADHM C[C@H]1CCCN(c2cc(-c3cccc([O-])c3F)ncn2)C1 ZINC001243546365 823438888 /nfs/dbraw/zinc/43/88/88/823438888.db2.gz LEVGOCXXEMQPQO-NSHDSACASA-N -1 3 287.338 3.225 20 0 CGADHM CN(CCC1CC1)Cc1cc(Cl)c([O-])cc1F ZINC001238149142 819942808 /nfs/dbraw/zinc/94/28/08/819942808.db2.gz GORGDSNXMLJODE-UHFFFAOYSA-N -1 3 257.736 3.417 20 0 CGADHM Fc1ccc(-c2coc3ccccc23)cc1-c1nnn[n-]1 ZINC001239064138 820210902 /nfs/dbraw/zinc/21/09/02/820210902.db2.gz JEOIGVDWKQNGDV-UHFFFAOYSA-N -1 3 280.262 3.419 20 0 CGADHM Fc1ccc(-c2coc3ccccc23)cc1-c1nn[n-]n1 ZINC001239064138 820210912 /nfs/dbraw/zinc/21/09/12/820210912.db2.gz JEOIGVDWKQNGDV-UHFFFAOYSA-N -1 3 280.262 3.419 20 0 CGADHM COC(=O)c1ccncc1-c1ccc(C(F)(F)F)cc1[O-] ZINC001243608093 823465535 /nfs/dbraw/zinc/46/55/35/823465535.db2.gz ZMMBQCRQZJPXFJ-UHFFFAOYSA-N -1 3 297.232 3.260 20 0 CGADHM CSc1ccc(-c2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC001239499677 820348954 /nfs/dbraw/zinc/34/89/54/820348954.db2.gz WBKHUKOUWLAKFC-UHFFFAOYSA-N -1 3 286.335 3.395 20 0 CGADHM CSc1ccc(-c2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC001239499677 820348964 /nfs/dbraw/zinc/34/89/64/820348964.db2.gz WBKHUKOUWLAKFC-UHFFFAOYSA-N -1 3 286.335 3.395 20 0 CGADHM CCOc1ccccc1-c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001239560791 820411719 /nfs/dbraw/zinc/41/17/19/820411719.db2.gz WRNOYUCBCPQLPU-UHFFFAOYSA-N -1 3 284.294 3.072 20 0 CGADHM CCOc1ccccc1-c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001239560791 820411723 /nfs/dbraw/zinc/41/17/23/820411723.db2.gz WRNOYUCBCPQLPU-UHFFFAOYSA-N -1 3 284.294 3.072 20 0 CGADHM Cc1cccc(C)c1-c1ccc(-c2nnn[n-]2)cc1C ZINC001239600471 820446235 /nfs/dbraw/zinc/44/62/35/820446235.db2.gz QKITVCJFZIKJKN-UHFFFAOYSA-N -1 3 264.332 3.459 20 0 CGADHM Cc1cccc(C)c1-c1ccc(-c2nn[n-]n2)cc1C ZINC001239600471 820446237 /nfs/dbraw/zinc/44/62/37/820446237.db2.gz QKITVCJFZIKJKN-UHFFFAOYSA-N -1 3 264.332 3.459 20 0 CGADHM Cc1ccc(-c2ccc(C)c(-c3nnn[n-]3)c2)cc1F ZINC001239824635 820640144 /nfs/dbraw/zinc/64/01/44/820640144.db2.gz FEZDMTBYEKYVGR-UHFFFAOYSA-N -1 3 268.295 3.290 20 0 CGADHM Cc1ccc(-c2ccc(C)c(-c3nn[n-]n3)c2)cc1F ZINC001239824635 820640149 /nfs/dbraw/zinc/64/01/49/820640149.db2.gz FEZDMTBYEKYVGR-UHFFFAOYSA-N -1 3 268.295 3.290 20 0 CGADHM CSc1cc(-c2ccc([O-])c(F)c2)nc(C)n1 ZINC001240782882 821322344 /nfs/dbraw/zinc/32/23/44/821322344.db2.gz IJAWARQQYKPILK-UHFFFAOYSA-N -1 3 250.298 3.019 20 0 CGADHM CCc1noc(-c2ccnc(-c3ccc([O-])c(F)c3)c2)n1 ZINC001240786045 821325282 /nfs/dbraw/zinc/32/52/82/821325282.db2.gz JBLUHONEXMJCGL-UHFFFAOYSA-N -1 3 285.278 3.206 20 0 CGADHM [O-]c1ccc(-c2ccccc2C2OCCO2)cc1F ZINC001240787162 821328718 /nfs/dbraw/zinc/32/87/18/821328718.db2.gz OWSHAFJDXHWING-UHFFFAOYSA-N -1 3 260.264 3.244 20 0 CGADHM COC(=O)c1cc(F)cc(-c2ccc([O-])c(F)c2)c1C ZINC001240787527 821330087 /nfs/dbraw/zinc/33/00/87/821330087.db2.gz JMAKDVVTDLWJSG-UHFFFAOYSA-N -1 3 278.254 3.432 20 0 CGADHM c1cnc2cccc(-c3ccc(-c4nnn[n-]4)cc3)c2c1 ZINC001240938408 821428338 /nfs/dbraw/zinc/42/83/38/821428338.db2.gz RAJQHXYHJCOLFI-UHFFFAOYSA-N -1 3 273.299 3.082 20 0 CGADHM c1cnc2cccc(-c3ccc(-c4nn[n-]n4)cc3)c2c1 ZINC001240938408 821428340 /nfs/dbraw/zinc/42/83/40/821428340.db2.gz RAJQHXYHJCOLFI-UHFFFAOYSA-N -1 3 273.299 3.082 20 0 CGADHM [O-]c1ccccc1-c1ncccc1OC(F)(F)F ZINC001241001852 821480576 /nfs/dbraw/zinc/48/05/76/821480576.db2.gz KJFYOWFCTSSUFM-UHFFFAOYSA-N -1 3 255.195 3.353 20 0 CGADHM [O-]c1ccccc1-c1ncnc2[nH]c3ccccc3c21 ZINC001241003638 821482783 /nfs/dbraw/zinc/48/27/83/821482783.db2.gz QIUOONZBEWKBTH-UHFFFAOYSA-N -1 3 261.284 3.484 20 0 CGADHM Cc1ccc(C(=O)[O-])cc1-c1cnccc1/C=C/N(C)C ZINC001241004628 821483175 /nfs/dbraw/zinc/48/31/75/821483175.db2.gz CPNAJXIOXNBYJS-VQHVLOKHSA-N -1 3 282.343 3.288 20 0 CGADHM CCOC(=O)c1cc2ccncc2c(-c2ccccc2[O-])n1 ZINC001241007624 821484399 /nfs/dbraw/zinc/48/43/99/821484399.db2.gz FQSTVORVSLQOKH-UHFFFAOYSA-N -1 3 294.310 3.179 20 0 CGADHM CC1CCN(C(=O)c2cccnc2-c2ccccc2[O-])CC1 ZINC001241008498 821485422 /nfs/dbraw/zinc/48/54/22/821485422.db2.gz RBEAHCSTAXBXIJ-UHFFFAOYSA-N -1 3 296.370 3.326 20 0 CGADHM Cc1ccc(-c2ccc(-c3ccco3)nn2)c([O-])c1 ZINC001241036091 821511580 /nfs/dbraw/zinc/51/15/80/821511580.db2.gz OPXLGNFSYKQKKB-UHFFFAOYSA-N -1 3 252.273 3.418 20 0 CGADHM Cc1ccc(-c2ccc(-c3ccncc3)nn2)c([O-])c1 ZINC001241035633 821512075 /nfs/dbraw/zinc/51/20/75/821512075.db2.gz DICHWMIEQMOGHU-UHFFFAOYSA-N -1 3 263.300 3.220 20 0 CGADHM Fc1cc(F)c(F)c(-c2cc(-c3nnn[n-]3)ccc2F)c1 ZINC001241094694 821554938 /nfs/dbraw/zinc/55/49/38/821554938.db2.gz VXQYLPOIGJSTCY-UHFFFAOYSA-N -1 3 294.211 3.090 20 0 CGADHM Fc1cc(F)c(F)c(-c2cc(-c3nn[n-]n3)ccc2F)c1 ZINC001241094694 821554943 /nfs/dbraw/zinc/55/49/43/821554943.db2.gz VXQYLPOIGJSTCY-UHFFFAOYSA-N -1 3 294.211 3.090 20 0 CGADHM CCOc1cccc(F)c1-c1ccc(C)c(-c2nnn[n-]2)c1 ZINC001241253709 821674736 /nfs/dbraw/zinc/67/47/36/821674736.db2.gz RLZPZXVOCQILRH-UHFFFAOYSA-N -1 3 298.321 3.380 20 0 CGADHM CCOc1cccc(F)c1-c1ccc(C)c(-c2nn[n-]n2)c1 ZINC001241253709 821674740 /nfs/dbraw/zinc/67/47/40/821674740.db2.gz RLZPZXVOCQILRH-UHFFFAOYSA-N -1 3 298.321 3.380 20 0 CGADHM [O-]c1cc(F)cc(-c2cc(C(F)(F)F)ncn2)c1 ZINC001241258100 821678234 /nfs/dbraw/zinc/67/82/34/821678234.db2.gz UUWKCPBUGMEGHK-UHFFFAOYSA-N -1 3 258.174 3.007 20 0 CGADHM [O-]c1cc(F)cc(-c2nnc3c(c2C(F)(F)F)CCC3)c1 ZINC001241262095 821680821 /nfs/dbraw/zinc/68/08/21/821680821.db2.gz VSNSFVUECVBHRO-UHFFFAOYSA-N -1 3 298.239 3.496 20 0 CGADHM [O-]c1cc(F)cc(-c2ncnc3c2SCCC3)c1 ZINC001241261567 821680982 /nfs/dbraw/zinc/68/09/82/821680982.db2.gz BLOFPUNSMAEZMZ-UHFFFAOYSA-N -1 3 262.309 3.027 20 0 CGADHM O=C1c2ccc(-c3cc([O-])cc(F)c3)cc2CN1C1CC1 ZINC001241271238 821690187 /nfs/dbraw/zinc/69/01/87/821690187.db2.gz NTKWJRMKWOBQHH-UHFFFAOYSA-N -1 3 283.302 3.317 20 0 CGADHM [O-]c1cc(F)cc(-c2ccc(-c3ncccn3)cn2)c1 ZINC001241272041 821691139 /nfs/dbraw/zinc/69/11/39/821691139.db2.gz MHQKNSXXCGJSLK-UHFFFAOYSA-N -1 3 267.263 3.050 20 0 CGADHM COC(=O)c1c[nH]c2c1cccc2-c1cc([O-])cc(F)c1 ZINC001241277236 821696346 /nfs/dbraw/zinc/69/63/46/821696346.db2.gz ICLFIBJODHYNDF-UHFFFAOYSA-N -1 3 285.274 3.466 20 0 CGADHM CC1(C)NC(=O)Cc2cc(-c3cc([O-])cc(F)c3)ccc21 ZINC001241280507 821698972 /nfs/dbraw/zinc/69/89/72/821698972.db2.gz OLSSORCOGUNKIG-UHFFFAOYSA-N -1 3 285.318 3.106 20 0 CGADHM O=c1cc(-c2cc([O-])cc(F)c2)ccn1-c1ccccc1F ZINC001241280926 821699793 /nfs/dbraw/zinc/69/97/93/821699793.db2.gz ZFLSMNWWLZNEQV-UHFFFAOYSA-N -1 3 299.276 3.488 20 0 CGADHM COC(=O)/C=C\c1ccc(-c2cc([O-])cc(F)c2)cc1 ZINC001241283773 821703215 /nfs/dbraw/zinc/70/32/15/821703215.db2.gz ZMZROCZTDAZEPN-DAXSKMNVSA-N -1 3 272.275 3.385 20 0 CGADHM CCOC(=O)c1ccc(OC)c(-c2cc([O-])cc(F)c2)c1 ZINC001241283413 821703520 /nfs/dbraw/zinc/70/35/20/821703520.db2.gz TWVPVAZYNBNFID-UHFFFAOYSA-N -1 3 290.290 3.384 20 0 CGADHM COC(=O)Cc1ccccc1-c1c(F)ccc([O-])c1F ZINC001241291749 821709806 /nfs/dbraw/zinc/70/98/06/821709806.db2.gz VOUISVKUQDQDEX-UHFFFAOYSA-N -1 3 278.254 3.053 20 0 CGADHM [O-]c1ccc(F)c(-c2ccc3c(c2)[C@H](O)CCO3)c1F ZINC001241293623 821710731 /nfs/dbraw/zinc/71/07/31/821710731.db2.gz XJLNQKGIWJOCFF-LLVKDONJSA-N -1 3 278.254 3.153 20 0 CGADHM COc1nc(C)ccc1-c1c(F)ccc([O-])c1F ZINC001241294273 821712421 /nfs/dbraw/zinc/71/24/21/821712421.db2.gz ZDMRTWPWRDADSM-UHFFFAOYSA-N -1 3 251.232 3.049 20 0 CGADHM [O-]c1ccc(F)c(-c2ccc3c(c2)COCC3)c1F ZINC001241294142 821712502 /nfs/dbraw/zinc/71/25/02/821712502.db2.gz WHDPIQXUVCEYNR-UHFFFAOYSA-N -1 3 262.255 3.410 20 0 CGADHM COc1cc(F)c(-c2c(F)ccc([O-])c2F)cc1OC ZINC001241295236 821713942 /nfs/dbraw/zinc/71/39/42/821713942.db2.gz KICSLSCLEAMMRC-UHFFFAOYSA-N -1 3 284.233 3.494 20 0 CGADHM Cn1cnc2cccc(-c3c(F)ccc([O-])c3F)c21 ZINC001241295387 821714344 /nfs/dbraw/zinc/71/43/44/821714344.db2.gz PNEGOMCWCGSOIH-UHFFFAOYSA-N -1 3 260.243 3.224 20 0 CGADHM CSc1cccc(-c2cccc(-c3nnn[n-]3)c2)c1 ZINC001241315230 821725744 /nfs/dbraw/zinc/72/57/44/821725744.db2.gz CNPVPGLJBVYYEZ-UHFFFAOYSA-N -1 3 268.345 3.256 20 0 CGADHM CSc1cccc(-c2cccc(-c3nn[n-]n3)c2)c1 ZINC001241315230 821725749 /nfs/dbraw/zinc/72/57/49/821725749.db2.gz CNPVPGLJBVYYEZ-UHFFFAOYSA-N -1 3 268.345 3.256 20 0 CGADHM COc1ccc(-c2nnn[n-]2)cc1-c1cccc(SC)c1 ZINC001241316495 821727000 /nfs/dbraw/zinc/72/70/00/821727000.db2.gz XXYZDVVCDRFPPT-UHFFFAOYSA-N -1 3 298.371 3.264 20 0 CGADHM COc1ccc(-c2nn[n-]n2)cc1-c1cccc(SC)c1 ZINC001241316495 821727006 /nfs/dbraw/zinc/72/70/06/821727006.db2.gz XXYZDVVCDRFPPT-UHFFFAOYSA-N -1 3 298.371 3.264 20 0 CGADHM CN(Cc1ccc(-c2cccc(C(=O)[O-])c2)nc1)C1CC1 ZINC001241357910 821759143 /nfs/dbraw/zinc/75/91/43/821759143.db2.gz KJRKTDBOPBFHLF-UHFFFAOYSA-N -1 3 282.343 3.041 20 0 CGADHM Cc1cnc(-c2ccc(-c3nnn[n-]3)cc2)c2ccccc12 ZINC001241442359 821837014 /nfs/dbraw/zinc/83/70/14/821837014.db2.gz HPOPNTZZJHEXSR-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM Cc1cnc(-c2ccc(-c3nn[n-]n3)cc2)c2ccccc12 ZINC001241442359 821837022 /nfs/dbraw/zinc/83/70/22/821837022.db2.gz HPOPNTZZJHEXSR-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM COc1ccc(-c2ccc(-c3nnn[n-]3)cc2)c2[nH]ccc21 ZINC001241443996 821838293 /nfs/dbraw/zinc/83/82/93/821838293.db2.gz LRXAPFZBTKPURS-UHFFFAOYSA-N -1 3 291.314 3.024 20 0 CGADHM COc1ccc(-c2ccc(-c3nn[n-]n3)cc2)c2[nH]ccc21 ZINC001241443996 821838298 /nfs/dbraw/zinc/83/82/98/821838298.db2.gz LRXAPFZBTKPURS-UHFFFAOYSA-N -1 3 291.314 3.024 20 0 CGADHM Cc1cncc2cccc(-c3ccc(-c4nnn[n-]4)cc3)c12 ZINC001241443977 821839128 /nfs/dbraw/zinc/83/91/28/821839128.db2.gz LFBCVLASQWYYOX-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM Cc1cncc2cccc(-c3ccc(-c4nn[n-]n4)cc3)c12 ZINC001241443977 821839137 /nfs/dbraw/zinc/83/91/37/821839137.db2.gz LFBCVLASQWYYOX-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM Cn1ccc2c1cccc2-c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001241823332 822163690 /nfs/dbraw/zinc/16/36/90/822163690.db2.gz NGRDFLCBDGJVRA-UHFFFAOYSA-N -1 3 293.305 3.165 20 0 CGADHM Cn1ccc2c1cccc2-c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001241823332 822163692 /nfs/dbraw/zinc/16/36/92/822163692.db2.gz NGRDFLCBDGJVRA-UHFFFAOYSA-N -1 3 293.305 3.165 20 0 CGADHM S=C1Cc2ccc(-c3cnn(C4CC4)c3)cc2[N-]1 ZINC001241911584 822211743 /nfs/dbraw/zinc/21/17/43/822211743.db2.gz KPQCXLZQQXTWJE-UHFFFAOYSA-N -1 3 255.346 3.180 20 0 CGADHM Cc1ccc(-c2ccc(-c3nnn[n-]3)cc2C)c(F)c1F ZINC001242032261 822296301 /nfs/dbraw/zinc/29/63/01/822296301.db2.gz VVPGVGIBLMCCSR-UHFFFAOYSA-N -1 3 286.285 3.429 20 0 CGADHM Cc1ccc(-c2ccc(-c3nn[n-]n3)cc2C)c(F)c1F ZINC001242032261 822296310 /nfs/dbraw/zinc/29/63/10/822296310.db2.gz VVPGVGIBLMCCSR-UHFFFAOYSA-N -1 3 286.285 3.429 20 0 CGADHM Cc1cn2cc(-c3ccc([O-])c(C(F)(F)F)c3)cnc2n1 ZINC001242157118 822898401 /nfs/dbraw/zinc/89/84/01/822898401.db2.gz DNWWZFBGXGJFCE-UHFFFAOYSA-N -1 3 293.248 3.429 20 0 CGADHM [O-]c1ccc(-c2ccc3nncn3c2)cc1C(F)(F)F ZINC001242157134 822898604 /nfs/dbraw/zinc/89/86/04/822898604.db2.gz DXDIQANATQEZIO-UHFFFAOYSA-N -1 3 279.221 3.121 20 0 CGADHM COc1cnccc1-c1ccc([O-])c(C(F)(F)F)c1 ZINC001242157464 822899163 /nfs/dbraw/zinc/89/91/63/822899163.db2.gz GRKWUJLMDJFJPO-UHFFFAOYSA-N -1 3 269.222 3.482 20 0 CGADHM [O-]c1cc(F)ccc1-c1cncc(OC(F)(F)F)c1 ZINC001242219214 822915791 /nfs/dbraw/zinc/91/57/91/822915791.db2.gz NLCPWNSYAZARJR-UHFFFAOYSA-N -1 3 273.185 3.492 20 0 CGADHM COC(=O)c1noc2ccc(-c3ccc(F)cc3[O-])cc21 ZINC001242220863 822916640 /nfs/dbraw/zinc/91/66/40/822916640.db2.gz DUOZSKDIVLHCBA-UHFFFAOYSA-N -1 3 287.246 3.126 20 0 CGADHM [O-]c1cc(F)ccc1-c1ccc(OC(F)F)nc1 ZINC001242220765 822916806 /nfs/dbraw/zinc/91/68/06/822916806.db2.gz OVJNJOSWNWJVMB-UHFFFAOYSA-N -1 3 255.195 3.195 20 0 CGADHM COC(=O)c1ccc(-c2cccc(F)c2[O-])c2cc[nH]c21 ZINC001242350639 822961034 /nfs/dbraw/zinc/96/10/34/822961034.db2.gz IXYYTLCIYTWDMJ-UHFFFAOYSA-N -1 3 285.274 3.466 20 0 CGADHM Cc1cccc(CO[N-]C(=O)C2(C)CCC(C)CC2)n1 ZINC001339077042 936348753 /nfs/dbraw/zinc/34/87/53/936348753.db2.gz DMNZTOJJSRDIOU-UHFFFAOYSA-N -1 3 276.380 3.154 20 0 CGADHM O=C([N-]c1noc2c1CCCC2)c1c(F)cccc1F ZINC001339196867 936358567 /nfs/dbraw/zinc/35/85/67/936358567.db2.gz PUCSPTJJPOQTME-UHFFFAOYSA-N -1 3 278.258 3.084 20 0 CGADHM Cc1ccc2c(CCC(=O)[N-]OC(C)(C)C)c[nH]c2c1 ZINC001341325819 936434807 /nfs/dbraw/zinc/43/48/07/936434807.db2.gz YPEMSSWMNAZKPF-UHFFFAOYSA-N -1 3 274.364 3.255 20 0 CGADHM CCN(C(=O)c1c[n-]c2ccccc2c1=O)c1ccccc1 ZINC001351368461 937015974 /nfs/dbraw/zinc/01/59/74/937015974.db2.gz UMSVWLSMAALYNL-UHFFFAOYSA-N -1 3 292.338 3.195 20 0 CGADHM CC(C)(C)c1coc(CN[C@@H](CC(=O)[O-])C2CCCC2)n1 ZINC001353955254 937084417 /nfs/dbraw/zinc/08/44/17/937084417.db2.gz PPDKMMXTWJIZLN-LBPRGKRZSA-N -1 3 294.395 3.095 20 0 CGADHM O=c1[n-]c([C@H]2CCCN(CCCC3CCCCC3)C2)n[nH]1 ZINC001414003014 937200083 /nfs/dbraw/zinc/20/00/83/937200083.db2.gz QYYIXTLYHKUILZ-AWEZNQCLSA-N -1 3 292.427 3.050 20 0 CGADHM Cc1ccc(-c2nnc(-c3cc(Cl)n[n-]3)o2)cc1 ZINC001252674708 928412467 /nfs/dbraw/zinc/41/24/67/928412467.db2.gz XLOKFDKYILPQBN-UHFFFAOYSA-N -1 3 260.684 3.089 20 0 CGADHM COCc1c2ccccc2oc1C(=O)[N-]c1conc1C ZINC001437295170 937293343 /nfs/dbraw/zinc/29/33/43/937293343.db2.gz UKPMYMCIEGTXTO-UHFFFAOYSA-N -1 3 286.287 3.128 20 0 CGADHM CSc1cc(Cl)ccc1[N-]C(=O)c1snnc1C ZINC001437582502 937295601 /nfs/dbraw/zinc/29/56/01/937295601.db2.gz UQWZXTOSTHGRHY-UHFFFAOYSA-N -1 3 299.808 3.474 20 0 CGADHM Cc1cccc([O-])c1C(=O)NCC12CCC(CC1)C2 ZINC001447101670 937367060 /nfs/dbraw/zinc/36/70/60/937367060.db2.gz JMJVNGRQVPPKDJ-UHFFFAOYSA-N -1 3 259.349 3.011 20 0 CGADHM O=C(Nc1ncccc1[O-])c1cc(C(F)F)ccc1F ZINC001447609675 937369630 /nfs/dbraw/zinc/36/96/30/937369630.db2.gz YFWCNUUUNXQTQX-UHFFFAOYSA-N -1 3 282.221 3.116 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])c1cc2c[nH]ccc-2n1 ZINC001546000533 937371037 /nfs/dbraw/zinc/37/10/37/937371037.db2.gz RPNKGMNBOZUOEB-UHFFFAOYSA-N -1 3 287.706 3.174 20 0 CGADHM COc1ccc(C(=O)NCC[C@@H]2CCCC2(C)C)c([O-])c1 ZINC001453903705 937405614 /nfs/dbraw/zinc/40/56/14/937405614.db2.gz WBYWPVKAEZRNRM-LBPRGKRZSA-N -1 3 291.391 3.347 20 0 CGADHM CCC[C@H]1CCCN1C(=O)c1ccc(CC)cc1[O-] ZINC001456807603 937435150 /nfs/dbraw/zinc/43/51/50/937435150.db2.gz ZOSJAQGFCVRQSK-ZDUSSCGKSA-N -1 3 261.365 3.359 20 0 CGADHM CC1(C)CCC[C@H]1CCNC(=O)c1c([O-])cccc1O ZINC001457945024 937448017 /nfs/dbraw/zinc/44/80/17/937448017.db2.gz AWAJWDIFILCAFL-NSHDSACASA-N -1 3 277.364 3.044 20 0 CGADHM S=c1nc(O[C@H]2C[C@H]3C=C[C@@H]2C3)c2ccsc2[n-]1 ZINC001229570997 932173778 /nfs/dbraw/zinc/17/37/78/932173778.db2.gz XRJCIVOXLFUNBM-XKSSXDPKSA-N -1 3 276.386 3.323 20 0 CGADHM Cc1nc(O[C@H](C)c2ccc(F)cc2)c(C)c(=O)[n-]1 ZINC001229684638 932188701 /nfs/dbraw/zinc/18/87/01/932188701.db2.gz FAVXSEGSJPMCCI-SECBINFHSA-N -1 3 262.284 3.078 20 0 CGADHM Cc1nc(O[C@H]2CCCc3ccccc32)c(C)c(=O)[n-]1 ZINC001229684967 932188840 /nfs/dbraw/zinc/18/88/40/932188840.db2.gz HFNUEGADJGDKPA-AWEZNQCLSA-N -1 3 270.332 3.255 20 0 CGADHM CC[C@@H]1CCCC[C@@H]1Oc1ccccc1-c1nnn[n-]1 ZINC001229954731 932509953 /nfs/dbraw/zinc/50/99/53/932509953.db2.gz NYKCBJYLDIXBKI-YPMHNXCESA-N -1 3 272.352 3.214 20 0 CGADHM CC[C@@H]1CCCC[C@@H]1Oc1ccccc1-c1nn[n-]n1 ZINC001229954731 932509955 /nfs/dbraw/zinc/50/99/55/932509955.db2.gz NYKCBJYLDIXBKI-YPMHNXCESA-N -1 3 272.352 3.214 20 0 CGADHM CC[C@H](C[C@@H](C)CC)Oc1ccccc1-c1nnn[n-]1 ZINC001229954747 932510154 /nfs/dbraw/zinc/51/01/54/932510154.db2.gz OMPXOGZRHQJLTB-NWDGAFQWSA-N -1 3 274.368 3.460 20 0 CGADHM CC[C@H](C[C@@H](C)CC)Oc1ccccc1-c1nn[n-]n1 ZINC001229954747 932510160 /nfs/dbraw/zinc/51/01/60/932510160.db2.gz OMPXOGZRHQJLTB-NWDGAFQWSA-N -1 3 274.368 3.460 20 0 CGADHM O=c1nc(OC2CCSCC2)c(-c2ccccc2)c[n-]1 ZINC001230973374 932651367 /nfs/dbraw/zinc/65/13/67/932651367.db2.gz GYKCJDCSLSJWGX-UHFFFAOYSA-N -1 3 288.372 3.124 20 0 CGADHM Cc1cccc(C(=O)NN2CCC(C(C)(C)C)CC2)c1[O-] ZINC001306838351 932889890 /nfs/dbraw/zinc/88/98/90/932889890.db2.gz DWDPVXYYMXIGSZ-UHFFFAOYSA-N -1 3 290.407 3.104 20 0 CGADHM O=c1nc(Cl)cc(SCc2ccccc2)[n-]1 ZINC001306915325 932893984 /nfs/dbraw/zinc/89/39/84/932893984.db2.gz YXUKRRUUVGSVMP-UHFFFAOYSA-N -1 3 252.726 3.128 20 0 CGADHM [O-]c1ccc(CN[C@H]2CCc3ccc(O)cc32)c(F)c1F ZINC001462447046 937642032 /nfs/dbraw/zinc/64/20/32/937642032.db2.gz JZXNETFGEXQGMC-ZDUSSCGKSA-N -1 3 291.297 3.153 20 0 CGADHM Cc1ccc(C(=O)N[C@H]2C[C@@H]2C2CCCCC2)c([O-])c1 ZINC001465515826 937701309 /nfs/dbraw/zinc/70/13/09/937701309.db2.gz ULAIVGLDLXHQQG-CABCVRRESA-N -1 3 273.376 3.399 20 0 CGADHM COc1cccc([O-])c1C(=O)NCC(C)(C)C1CCCC1 ZINC001466121660 937706616 /nfs/dbraw/zinc/70/66/16/937706616.db2.gz HDGNOGOKOXMEPV-UHFFFAOYSA-N -1 3 291.391 3.347 20 0 CGADHM CC(C)[C@](C)(Cc1ccccc1)C(=O)[N-]OC1CCC1 ZINC001468166389 937725020 /nfs/dbraw/zinc/72/50/20/937725020.db2.gz HQXACSUMVLRDLX-KRWDZBQOSA-N -1 3 275.392 3.492 20 0 CGADHM C[C@@H](CCCC(=O)[O-])NCc1nc2c(s1)C[C@@H](C)CC2 ZINC001320732890 934095129 /nfs/dbraw/zinc/09/51/29/934095129.db2.gz KDJJWNBHDIUWIC-QWRGUYRKSA-N -1 3 296.436 3.001 20 0 CGADHM O=C(NC1(C2CCCCC2)CC1)c1ccccc1[O-] ZINC001472298446 937775002 /nfs/dbraw/zinc/77/50/02/937775002.db2.gz SSUAEKZAKXWGOF-UHFFFAOYSA-N -1 3 259.349 3.235 20 0 CGADHM CO[C@@H](COC(=O)c1cc2occc2[n-]1)C1CCCC1 ZINC001329449898 935216888 /nfs/dbraw/zinc/21/68/88/935216888.db2.gz MQHGDNUDFXHRHV-AWEZNQCLSA-N -1 3 277.320 3.123 20 0 CGADHM COc1cc(C)ccc1CN[C@](C)(C(=O)[O-])c1ccccc1 ZINC001334778217 936113897 /nfs/dbraw/zinc/11/38/97/936113897.db2.gz XWLWBTHLLODHJT-SFHVURJKSA-N -1 3 299.370 3.093 20 0 CGADHM COc1ccc(F)c([N-]C(=O)c2ocnc2C(F)F)c1 ZINC001516071659 938008204 /nfs/dbraw/zinc/00/82/04/938008204.db2.gz VCTDOLMYJPWMIY-UHFFFAOYSA-N -1 3 286.209 3.012 20 0 CGADHM O=C(Nc1n[n-]c(-c2ccco2)n1)[C@H]1CCC=CCCC1 ZINC001538229746 938116475 /nfs/dbraw/zinc/11/64/75/938116475.db2.gz GXBVLQMTMFKNPR-NSHDSACASA-N -1 3 286.335 3.140 20 0 CGADHM Cc1ccc([N-]C(=O)c2ocnc2C(F)(F)F)c(F)c1 ZINC001539134671 938123040 /nfs/dbraw/zinc/12/30/40/938123040.db2.gz ATJZHPJGZUKMIP-UHFFFAOYSA-N -1 3 288.200 3.393 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)NC[C@H]1CCCC2(CC2)C1 ZINC001551831207 938187513 /nfs/dbraw/zinc/18/75/13/938187513.db2.gz VAUCPEWGQDBDCG-ZDUSSCGKSA-N -1 3 291.366 3.160 20 0 CGADHM O=Cc1ccc(F)c(C(=O)Nc2ccc(Cl)cc2[O-])c1 ZINC001556081807 938201555 /nfs/dbraw/zinc/20/15/55/938201555.db2.gz MJOQQOKJKFFQGF-UHFFFAOYSA-N -1 3 293.681 3.250 20 0 CGADHM CCCC[C@H](O)CCC(=O)Nc1ccc(Cl)cc1[O-] ZINC001556082117 938201635 /nfs/dbraw/zinc/20/16/35/938201635.db2.gz ZYSCHZXDYIWNGQ-NSHDSACASA-N -1 3 285.771 3.315 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CC[C@@H](CC)[C@@H]2C)c1 ZINC001556272472 938202921 /nfs/dbraw/zinc/20/29/21/938202921.db2.gz BKOROFGKCQEDSE-WCQYABFASA-N -1 3 261.365 3.215 20 0 CGADHM CCCO[N-]C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC001557196592 938208410 /nfs/dbraw/zinc/20/84/10/938208410.db2.gz ZKTSLQBTGQVGQC-UHFFFAOYSA-N -1 3 263.381 3.375 20 0 CGADHM Cc1ccc(C(=O)Nc2ccc(N(C)C)c(F)c2)c([O-])c1 ZINC001558023606 938213233 /nfs/dbraw/zinc/21/32/33/938213233.db2.gz JMPGREFGMUTNRC-UHFFFAOYSA-N -1 3 288.322 3.158 20 0 CGADHM Cc1ccc(C(=O)Nc2nn(C)c3ccccc23)c([O-])c1C ZINC001558780589 938217696 /nfs/dbraw/zinc/21/76/96/938217696.db2.gz FLYBCSPWSQVARZ-UHFFFAOYSA-N -1 3 295.342 3.148 20 0 CGADHM C[C@H]1CN(Cc2ccc([O-])c(F)c2)c2ccccc2O1 ZINC001560734683 938273041 /nfs/dbraw/zinc/27/30/41/938273041.db2.gz PPPYMSDDBWAHGW-NSHDSACASA-N -1 3 273.307 3.319 20 0 CGADHM C[C@H]1C[C@@H](C(=O)[O-])CN(Cc2cccc(F)c2Cl)C1 ZINC000399080226 951632124 /nfs/dbraw/zinc/63/21/24/951632124.db2.gz SWGATBKFBRLULV-GXSJLCMTSA-N -1 3 285.746 3.022 20 0 CGADHM CCCCCC[C@H](C)NCc1ncc(C(=O)[O-])s1 ZINC000386866008 972087029 /nfs/dbraw/zinc/08/70/29/972087029.db2.gz VEMXTTCMHAFYEG-JTQLQIEISA-N -1 3 270.398 3.290 20 0 CGADHM CN(Cc1cccc(F)c1)Cc1cccc(C(=O)[O-])c1 ZINC000021011158 957147532 /nfs/dbraw/zinc/14/75/32/957147532.db2.gz ZJHVKOJWRHFSLH-UHFFFAOYSA-N -1 3 273.307 3.156 20 0 CGADHM Cc1cc(CNCc2ccccc2C(=O)[O-])c(C)s1 ZINC001594303779 957939005 /nfs/dbraw/zinc/93/90/05/957939005.db2.gz IDOPZSSIVAFPJL-UHFFFAOYSA-N -1 3 275.373 3.353 20 0 CGADHM C[C@H](c1cc(F)ccc1F)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC000086782546 957986745 /nfs/dbraw/zinc/98/67/45/957986745.db2.gz MJMSKEGUGVSFCO-MEBBXXQBSA-N -1 3 283.318 3.213 20 0 CGADHM CC[C@@](C)(NCc1c(Cl)cccc1Cl)C(=O)[O-] ZINC000094227914 958269666 /nfs/dbraw/zinc/26/96/66/958269666.db2.gz GTLSOUOSUXGBON-GFCCVEGCSA-N -1 3 276.163 3.336 20 0 CGADHM Cc1ncc([C@@H](C)NCc2ccccc2C(=O)[O-])s1 ZINC001594468495 960518056 /nfs/dbraw/zinc/51/80/56/960518056.db2.gz XLTHHVIIKVDELE-SECBINFHSA-N -1 3 276.361 3.001 20 0 CGADHM CC[C@H](C)[C@@H](C(=O)[O-])N1Cc2cccc(Cl)c2C1 ZINC001594873772 960521476 /nfs/dbraw/zinc/52/14/76/960521476.db2.gz PGGHWHFMXMHWGQ-ZANVPECISA-N -1 3 267.756 3.155 20 0 CGADHM CCc1ccc(CCNC(=O)c2ccc(C)cc2[O-])cc1 ZINC001565820319 960836281 /nfs/dbraw/zinc/83/62/81/960836281.db2.gz HALOCFPTTJWOBU-UHFFFAOYSA-N -1 3 283.371 3.236 20 0 CGADHM CC[C@@H]1CCC[C@@H]1CNC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC001569218959 961715986 /nfs/dbraw/zinc/71/59/86/961715986.db2.gz MJSVPXOZWJDTIZ-TZMCWYRMSA-N -1 3 289.375 3.151 20 0 CGADHM CCc1cccc(C(=O)Nc2nc(C(C)C)co2)c1[O-] ZINC001569319323 961731159 /nfs/dbraw/zinc/73/11/59/961731159.db2.gz SBGQWONAPBDZHO-UHFFFAOYSA-N -1 3 274.320 3.318 20 0 CGADHM CCc1cccc(CC(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)c1 ZINC001569459241 961771174 /nfs/dbraw/zinc/77/11/74/961771174.db2.gz WZJLJUBSXLSPCR-UHFFFAOYSA-N -1 3 295.342 3.012 20 0 CGADHM C(=C/c1ccccc1)\CCOc1cccc(-c2nnn[n-]2)c1 ZINC001573291688 962237986 /nfs/dbraw/zinc/23/79/86/962237986.db2.gz IEDZERFYLAMPJA-RUDMXATFSA-N -1 3 292.342 3.349 20 0 CGADHM C(=C/c1ccccc1)\CCOc1cccc(-c2nn[n-]n2)c1 ZINC001573291688 962238000 /nfs/dbraw/zinc/23/80/00/962238000.db2.gz IEDZERFYLAMPJA-RUDMXATFSA-N -1 3 292.342 3.349 20 0 CGADHM CC(C)(CCNCc1c(F)ccc(F)c1Cl)C(=O)[O-] ZINC001573474679 962257214 /nfs/dbraw/zinc/25/72/14/962257214.db2.gz HVSDSYDLCXCVMU-UHFFFAOYSA-N -1 3 291.725 3.209 20 0 CGADHM C[C@H]1CCCC[C@H]1N(C)c1cc(F)ccc1-c1nnn[n-]1 ZINC001576163397 962435827 /nfs/dbraw/zinc/43/58/27/962435827.db2.gz ASTNUPWVLIEQEH-GXFFZTMASA-N -1 3 289.358 3.021 20 0 CGADHM C[C@H]1CCCC[C@H]1N(C)c1cc(F)ccc1-c1nn[n-]n1 ZINC001576163397 962435832 /nfs/dbraw/zinc/43/58/32/962435832.db2.gz ASTNUPWVLIEQEH-GXFFZTMASA-N -1 3 289.358 3.021 20 0 CGADHM C[C@H]1CCCC[C@H]1CNc1cccc(F)c1-c1nnn[n-]1 ZINC001576171712 962439062 /nfs/dbraw/zinc/43/90/62/962439062.db2.gz RGPORRMIJSWGAJ-QWRGUYRKSA-N -1 3 289.358 3.244 20 0 CGADHM C[C@H]1CCCC[C@H]1CNc1cccc(F)c1-c1nn[n-]n1 ZINC001576171712 962439069 /nfs/dbraw/zinc/43/90/69/962439069.db2.gz RGPORRMIJSWGAJ-QWRGUYRKSA-N -1 3 289.358 3.244 20 0 CGADHM O=C([O-])[C@@H]1CCCN1Cc1ccc(-c2ccccc2)s1 ZINC000263412926 962580955 /nfs/dbraw/zinc/58/09/55/962580955.db2.gz MANCHVIVXKDMFM-AWEZNQCLSA-N -1 3 287.384 3.464 20 0 CGADHM Cc1cccnc1CSc1ccc(-c2nnn[n-]2)c(C)c1 ZINC001581044511 962750530 /nfs/dbraw/zinc/75/05/30/962750530.db2.gz CDUOWAFLAQUFBW-UHFFFAOYSA-N -1 3 297.387 3.171 20 0 CGADHM Cc1cccnc1CSc1ccc(-c2nn[n-]n2)c(C)c1 ZINC001581044511 962750543 /nfs/dbraw/zinc/75/05/43/962750543.db2.gz CDUOWAFLAQUFBW-UHFFFAOYSA-N -1 3 297.387 3.171 20 0 CGADHM CC(C)c1ccc(C(=O)N[C@@H]2CCC[C@H]2C)c([O-])c1 ZINC001585572416 963030954 /nfs/dbraw/zinc/03/09/54/963030954.db2.gz OUEILUBZFFIPJZ-BXUZGUMPSA-N -1 3 261.365 3.434 20 0 CGADHM Cc1cccc([O-])c1C(=O)N[C@@H]1CCc2ccc(F)cc21 ZINC001585651882 963033911 /nfs/dbraw/zinc/03/39/11/963033911.db2.gz QIJYCYBGELIDCC-CQSZACIVSA-N -1 3 285.318 3.257 20 0 CGADHM Cc1cc(C(F)F)oc1C(=O)[N-]c1ccnc(F)c1F ZINC001586660524 963122555 /nfs/dbraw/zinc/12/25/55/963122555.db2.gz MUNBYHFSSHPJSN-UHFFFAOYSA-N -1 3 288.200 3.451 20 0 CGADHM COC(=O)c1cc(NC(=O)c2ccc(C)cc2[O-])ccc1C ZINC001587703663 963215340 /nfs/dbraw/zinc/21/53/40/963215340.db2.gz ZEWMVOBJALQQOS-UHFFFAOYSA-N -1 3 299.326 3.048 20 0 CGADHM C/C(=C/CN[C@@H]1CC2(CCC2)Oc2ccccc21)C(=O)[O-] ZINC001588981900 963336023 /nfs/dbraw/zinc/33/60/23/963336023.db2.gz IDPQZBPPBBKWDR-YRBHFNIASA-N -1 3 287.359 3.053 20 0 CGADHM C[C@H](N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21)c1ccoc1 ZINC001589123606 963346066 /nfs/dbraw/zinc/34/60/66/963346066.db2.gz MWGZYXRCBHIWSU-VQISRLSMSA-N -1 3 271.316 3.243 20 0 CGADHM CC(C)=CCCNc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC001589377170 963986225 /nfs/dbraw/zinc/98/62/25/963986225.db2.gz MJZRVMCIRSFZLS-UHFFFAOYSA-N -1 3 294.362 3.183 20 0 CGADHM CC(C)=CCCNc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC001589377170 963986230 /nfs/dbraw/zinc/98/62/30/963986230.db2.gz MJZRVMCIRSFZLS-UHFFFAOYSA-N -1 3 294.362 3.183 20 0 CGADHM O=C([O-])C[C@@H]1CCCN(Cc2cc(Cl)cs2)C1 ZINC000093097067 967598646 /nfs/dbraw/zinc/59/86/46/967598646.db2.gz PIPLTBKKSBNYED-VIFPVBQESA-N -1 3 273.785 3.088 20 0 CGADHM CC[C@H](NCc1ccoc1)c1ccc(C(=O)[O-])cc1 ZINC001595304651 980439751 /nfs/dbraw/zinc/43/97/51/980439751.db2.gz HJQHTKOCVUFELQ-AWEZNQCLSA-N -1 3 259.305 3.219 20 0 CGADHM CCC[C@H](CN[C@H](C(=O)[O-])c1ccccc1Cl)OCC ZINC001595593045 981555179 /nfs/dbraw/zinc/55/51/79/981555179.db2.gz RATMSTBHYCRNLB-RISCZKNCSA-N -1 3 299.798 3.261 20 0 CGADHM CCN(Cc1c[nH]c(C(=O)[O-])c1)Cc1cccc(Cl)c1 ZINC001596364547 983848657 /nfs/dbraw/zinc/84/86/57/983848657.db2.gz MHCSFBOVVZRJIX-UHFFFAOYSA-N -1 3 292.766 3.388 20 0 CGADHM C[C@@H](N[C@@H](C)c1cc(C(=O)[O-])cs1)c1cccnc1 ZINC001593199721 994181180 /nfs/dbraw/zinc/18/11/80/994181180.db2.gz ZDFRNQDIAKLZRW-ZJUUUORDSA-N -1 3 276.361 3.253 20 0 CGADHM C[C@@H](NCc1ncc(C(=O)[O-])s1)[C@@H](C)c1ccccc1 ZINC001593317605 994820107 /nfs/dbraw/zinc/82/01/07/994820107.db2.gz RIDKBDVYMCGZHH-GHMZBOCLSA-N -1 3 290.388 3.123 20 0 CGADHM C[C@H](c1cccc(Cl)c1F)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001593698386 996164040 /nfs/dbraw/zinc/16/40/40/996164040.db2.gz ILOYHDWSFZILHI-FXPVBKGRSA-N -1 3 285.746 3.193 20 0 CGADHM O=C(c1ccc2[nH][n-]c(=O)c2c1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000621205998 349469255 /nfs/dbraw/zinc/46/92/55/349469255.db2.gz FQYUGWXSRDEHSR-NHYWBVRUSA-N -1 3 299.374 3.063 20 0 CGADHM COc1cc(C(=O)[N-]c2ncc(C(C)(C)C)s2)sn1 ZINC000621888450 349602612 /nfs/dbraw/zinc/60/26/12/349602612.db2.gz HLYPYYQWQZEURL-UHFFFAOYSA-N -1 3 297.405 3.158 20 0 CGADHM CC[C@@H]1CCCN1C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621852409 349596837 /nfs/dbraw/zinc/59/68/37/349596837.db2.gz ZXHZRBOEAJGHCY-LLVKDONJSA-N -1 3 287.281 3.426 20 0 CGADHM O=C(NCC1(C2CC2)CC1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621929136 349608617 /nfs/dbraw/zinc/60/86/17/349608617.db2.gz DIGVPPIIXPYLBC-UHFFFAOYSA-N -1 3 299.292 3.331 20 0 CGADHM C[C@@H]1CCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)[C@H]1C ZINC000621900790 349604982 /nfs/dbraw/zinc/60/49/82/349604982.db2.gz HTZNEFMJISKVDV-BDAKNGLRSA-N -1 3 287.281 3.282 20 0 CGADHM COCC1(C(=O)Nc2ccc([O-])cc2F)CCCCC1 ZINC000621947963 349612197 /nfs/dbraw/zinc/61/21/97/349612197.db2.gz LRUUTDKPUHBXAU-UHFFFAOYSA-N -1 3 281.327 3.067 20 0 CGADHM CC[C@@H](C)c1ncc(NC(=O)c2cc(C)ccc2[O-])cn1 ZINC000436917903 529434862 /nfs/dbraw/zinc/43/48/62/529434862.db2.gz COAUDYUGDKCLBK-LLVKDONJSA-N -1 3 285.347 3.256 20 0 CGADHM CCc1cccc(C(=O)NCc2cccc(C)c2)c1[O-] ZINC000622294807 349668524 /nfs/dbraw/zinc/66/85/24/349668524.db2.gz CLUNHUVYAAGZMT-UHFFFAOYSA-N -1 3 269.344 3.193 20 0 CGADHM CCc1ccc(C(=O)Nc2ccc(F)c(OC)c2)c([O-])c1 ZINC000622541395 349685133 /nfs/dbraw/zinc/68/51/33/349685133.db2.gz OUIJXPKEHCCSJR-UHFFFAOYSA-N -1 3 289.306 3.355 20 0 CGADHM CCc1cccc(C(=O)Nc2cc(C)cc(C)n2)c1[O-] ZINC000622455168 349680195 /nfs/dbraw/zinc/68/01/95/349680195.db2.gz IGJWAVIRCVRAAT-UHFFFAOYSA-N -1 3 270.332 3.219 20 0 CGADHM CC(C)c1nnc(C(=O)[N-]c2scnc2C2CC2)s1 ZINC000622470331 349681857 /nfs/dbraw/zinc/68/18/57/349681857.db2.gz QFJPFWQJWAEXAP-UHFFFAOYSA-N -1 3 294.405 3.248 20 0 CGADHM CCc1ccc(-c2nc(-c3ccc(O)cc3)no2)c([O-])c1 ZINC000436868550 529575667 /nfs/dbraw/zinc/57/56/67/529575667.db2.gz IJBQKSHEUWQHAN-UHFFFAOYSA-N -1 3 282.299 3.377 20 0 CGADHM CCc1ccc(-c2nc(-c3cccnc3OC)no2)c([O-])c1 ZINC000436843568 529575770 /nfs/dbraw/zinc/57/57/70/529575770.db2.gz IRUXNRQKLKNMJZ-UHFFFAOYSA-N -1 3 297.314 3.075 20 0 CGADHM CCc1ccc(C(=O)N2CC[C@@](C)(CC)C2)c([O-])c1 ZINC000436830094 529599692 /nfs/dbraw/zinc/59/96/92/529599692.db2.gz NGZBFIKYRHGZHR-MRXNPFEDSA-N -1 3 261.365 3.217 20 0 CGADHM CCc1ccc(C(=O)NCC(C)(C)c2cccnc2)c([O-])c1 ZINC000412889390 529602420 /nfs/dbraw/zinc/60/24/20/529602420.db2.gz CVTKWTXSMCLMLT-UHFFFAOYSA-N -1 3 298.386 3.057 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CCc3ccccc3C2)c1 ZINC000623466357 349814483 /nfs/dbraw/zinc/81/44/83/349814483.db2.gz AVVNQBSGOVBEFD-UHFFFAOYSA-N -1 3 281.355 3.153 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CCc3c2cccc3C)c1 ZINC000623488642 349818331 /nfs/dbraw/zinc/81/83/31/349818331.db2.gz MAEIBXUDHSAOQU-UHFFFAOYSA-N -1 3 281.355 3.466 20 0 CGADHM CCc1nnsc1C(=O)[N-]c1ccc(C)cc1SC ZINC000413895694 529769751 /nfs/dbraw/zinc/76/97/51/529769751.db2.gz RBGJFTDSDILVBQ-UHFFFAOYSA-N -1 3 293.417 3.383 20 0 CGADHM CCCN(Cc1c(F)ccc([O-])c1F)C[C@@H]1CCCCO1 ZINC000351450036 219096690 /nfs/dbraw/zinc/09/66/90/219096690.db2.gz IIJKUPVIURSEAX-LBPRGKRZSA-N -1 3 299.361 3.452 20 0 CGADHM CC(C)(C)CN(CCCO)Cc1cccc([O-])c1Cl ZINC000351475345 219100222 /nfs/dbraw/zinc/10/02/22/219100222.db2.gz CTJPVPIDVXOPRU-UHFFFAOYSA-N -1 3 285.815 3.276 20 0 CGADHM Cc1cccc([O-])c1C(=O)N(C)[C@H]1CCCC[C@H]1C ZINC000623818849 349889497 /nfs/dbraw/zinc/88/94/97/349889497.db2.gz FGRVXZWOLZCXGQ-YPMHNXCESA-N -1 3 261.365 3.351 20 0 CGADHM CCN(CCSC)C(=O)c1ccc(C(C)C)cc1[O-] ZINC000592918744 347021137 /nfs/dbraw/zinc/02/11/37/347021137.db2.gz UHVGSDMJUCWQGM-UHFFFAOYSA-N -1 3 281.421 3.341 20 0 CGADHM O=C(c1ccccc1[O-])N1CCCc2sccc2C1 ZINC000593421973 347075116 /nfs/dbraw/zinc/07/51/16/347075116.db2.gz CAMUUPXPTBNCGC-UHFFFAOYSA-N -1 3 273.357 3.042 20 0 CGADHM O=C([N-]c1nncs1)c1cc2ccccc2s1 ZINC000021214678 344892450 /nfs/dbraw/zinc/89/24/50/344892450.db2.gz VHNJUYXHDNDGHX-UHFFFAOYSA-N -1 3 261.331 3.005 20 0 CGADHM O=C(Nc1ccccc1[O-])c1c[nH]nc1-c1ccc(F)cc1 ZINC000021444016 344892886 /nfs/dbraw/zinc/89/28/86/344892886.db2.gz BLOJNYJXJWTBJB-UHFFFAOYSA-N -1 3 297.289 3.174 20 0 CGADHM O=C(CCc1cc2ccccc2o1)Nc1ncccc1[O-] ZINC000022265012 344894940 /nfs/dbraw/zinc/89/49/40/344894940.db2.gz SVWMSWYFGFEEOS-UHFFFAOYSA-N -1 3 282.299 3.105 20 0 CGADHM O=C([O-])CN(Cc1ccccc1)Cc1cccc(Cl)c1 ZINC000032144939 344929550 /nfs/dbraw/zinc/92/95/50/344929550.db2.gz ISLHLXPICYZHJG-UHFFFAOYSA-N -1 3 289.762 3.427 20 0 CGADHM O=C([O-])CN(Cc1ccc(F)cc1Cl)C1CCCC1 ZINC000037596911 344951324 /nfs/dbraw/zinc/95/13/24/344951324.db2.gz ABZDYYAYOWGACZ-UHFFFAOYSA-N -1 3 285.746 3.308 20 0 CGADHM O=C([O-])C[C@H]1CCCN1Cc1cccc(C(F)(F)F)c1 ZINC000042163890 344980175 /nfs/dbraw/zinc/98/01/75/344980175.db2.gz JNSPPSUWQJYEKL-GFCCVEGCSA-N -1 3 287.281 3.145 20 0 CGADHM CC[C@@H]([N-]S(=O)(=O)c1ccccc1F)C1CCCCC1 ZINC000052341940 345102983 /nfs/dbraw/zinc/10/29/83/345102983.db2.gz RWPGSAGYRBHEOD-CQSZACIVSA-N -1 3 299.411 3.463 20 0 CGADHM O=C(Nc1ccccc1[O-])c1cccc(-n2cccc2)c1 ZINC000052817838 345107969 /nfs/dbraw/zinc/10/79/69/345107969.db2.gz RSKYGZCUNDQPDB-UHFFFAOYSA-N -1 3 278.311 3.435 20 0 CGADHM Cc1ccc(C(=O)NCc2ccsc2)c([O-])c1C ZINC000053086489 345114333 /nfs/dbraw/zinc/11/43/33/345114333.db2.gz AAKCVPZECFJNRB-UHFFFAOYSA-N -1 3 261.346 3.001 20 0 CGADHM CC[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000057102719 345173508 /nfs/dbraw/zinc/17/35/08/345173508.db2.gz JUAZGCXZBMMGHM-RKDXNWHRSA-N -1 3 293.791 3.192 20 0 CGADHM C[C@@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1ccccc1 ZINC000061172633 345227312 /nfs/dbraw/zinc/22/73/12/345227312.db2.gz QPXKTRWNTNMPBX-GFCCVEGCSA-N -1 3 292.338 3.019 20 0 CGADHM O=C(NCCC1=CCCCC1)c1cc(=O)c2ccccc2[n-]1 ZINC000061206071 345228001 /nfs/dbraw/zinc/22/80/01/345228001.db2.gz GPRADMULXNFHBI-UHFFFAOYSA-N -1 3 296.370 3.148 20 0 CGADHM C[C@@]1(C(=O)[O-])CCCN(Cc2ccc(Cl)s2)C1 ZINC000062876843 345240918 /nfs/dbraw/zinc/24/09/18/345240918.db2.gz YPCKMYVIVJBPLN-GFCCVEGCSA-N -1 3 273.785 3.088 20 0 CGADHM Cc1oc(CN2CCCc3ccccc3C2)cc1C(=O)[O-] ZINC000062944863 345242395 /nfs/dbraw/zinc/24/23/95/345242395.db2.gz AZXBFKKGVLEREQ-UHFFFAOYSA-N -1 3 285.343 3.235 20 0 CGADHM Cc1cccc(C(=O)Nc2cc(Cl)ccc2[O-])n1 ZINC000067139058 345315771 /nfs/dbraw/zinc/31/57/71/345315771.db2.gz MFJQDSBHYPHGJD-UHFFFAOYSA-N -1 3 262.696 3.001 20 0 CGADHM CC[C@H](C)C[C@@H](C)NC(=O)c1c[n-]c2ccccc2c1=O ZINC000080686981 345683399 /nfs/dbraw/zinc/68/33/99/345683399.db2.gz FTUIJRQWODMDEZ-NWDGAFQWSA-N -1 3 286.375 3.083 20 0 CGADHM O=C(C[C@H]1C=CCC1)Nc1ccc([O-])cc1Cl ZINC000085205019 345745168 /nfs/dbraw/zinc/74/51/68/345745168.db2.gz QNRPHRJXWLHDRE-VIFPVBQESA-N -1 3 251.713 3.340 20 0 CGADHM CC(C)c1ccc(C(=O)N2CCSC(C)(C)C2)c([O-])c1 ZINC000081851900 345719980 /nfs/dbraw/zinc/71/99/80/345719980.db2.gz KZJLBGNABOEURJ-UHFFFAOYSA-N -1 3 293.432 3.483 20 0 CGADHM COc1ccc(CN(C)[C@@H](C)c2ccc(C(=O)[O-])o2)cc1 ZINC000091780959 345823610 /nfs/dbraw/zinc/82/36/10/345823610.db2.gz IOCRCWADYHUREX-NSHDSACASA-N -1 3 289.331 3.179 20 0 CGADHM CCc1cccc(C(=O)N2C[C@@H](C)CC[C@H]2C)c1[O-] ZINC000091989914 345827463 /nfs/dbraw/zinc/82/74/63/345827463.db2.gz LTVVLUYXUOECSF-NWDGAFQWSA-N -1 3 261.365 3.215 20 0 CGADHM COc1cc(C)cc(C(=O)Nc2cccc(F)c2F)c1[O-] ZINC000094062482 345894935 /nfs/dbraw/zinc/89/49/35/345894935.db2.gz XUTHUWHAIIREEY-UHFFFAOYSA-N -1 3 293.269 3.240 20 0 CGADHM O=C([O-])CC1CCN(CCSc2ccccc2F)CC1 ZINC000093680919 345884142 /nfs/dbraw/zinc/88/41/42/345884142.db2.gz GYVVRELZQATXNR-UHFFFAOYSA-N -1 3 297.395 3.105 20 0 CGADHM CCOc1cccc(NC(=O)c2cc(-c3ccco3)[n-]n2)c1 ZINC000130828027 346060952 /nfs/dbraw/zinc/06/09/52/346060952.db2.gz IXAMMSMVYZTMLA-UHFFFAOYSA-N -1 3 297.314 3.321 20 0 CGADHM CCOc1cccc(NC(=O)c2cc(-c3ccco3)n[n-]2)c1 ZINC000130828027 346060955 /nfs/dbraw/zinc/06/09/55/346060955.db2.gz IXAMMSMVYZTMLA-UHFFFAOYSA-N -1 3 297.314 3.321 20 0 CGADHM CCc1ccc(NC(=O)c2cc(C(F)(F)F)n[n-]2)cc1 ZINC000140304783 346103667 /nfs/dbraw/zinc/10/36/67/346103667.db2.gz QDSSHSHWALWTJW-UHFFFAOYSA-N -1 3 283.253 3.243 20 0 CGADHM CCc1ccc(NC(=O)c2cc(C(F)(F)F)[n-]n2)cc1 ZINC000140304783 346103669 /nfs/dbraw/zinc/10/36/69/346103669.db2.gz QDSSHSHWALWTJW-UHFFFAOYSA-N -1 3 283.253 3.243 20 0 CGADHM CC(C)c1ccoc1C(=O)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000351670028 219170614 /nfs/dbraw/zinc/17/06/14/219170614.db2.gz IBWGYSLKFZWRIF-UHFFFAOYSA-N -1 3 295.342 3.467 20 0 CGADHM Cc1ncc(Cl)c(C(=O)Nc2cc(Cl)ccc2[O-])n1 ZINC000157385620 346161087 /nfs/dbraw/zinc/16/10/87/346161087.db2.gz AKZWVXYNFGNTOK-UHFFFAOYSA-N -1 3 298.129 3.050 20 0 CGADHM O=C([O-])CN(Cc1cccc(Cl)c1F)C1CCCC1 ZINC000167036538 346188369 /nfs/dbraw/zinc/18/83/69/346188369.db2.gz OXGPODBAQZSFSA-UHFFFAOYSA-N -1 3 285.746 3.308 20 0 CGADHM Cc1ccc([O-])c(CN[C@@H]2C[C@@H](C)Oc3ccccc32)n1 ZINC000295131915 199362927 /nfs/dbraw/zinc/36/29/27/199362927.db2.gz YFAIJNDPWJCCHH-TZMCWYRMSA-N -1 3 284.359 3.098 20 0 CGADHM O=C(Nc1ncccc1[O-])c1cc(Cl)cc2cccnc21 ZINC000180992729 346255013 /nfs/dbraw/zinc/25/50/13/346255013.db2.gz MJZMELJMUDJIKM-UHFFFAOYSA-N -1 3 299.717 3.241 20 0 CGADHM CCc1ccc([C@@H](NCc2ccc(OC)cc2)C(=O)[O-])cc1 ZINC000211617518 346286177 /nfs/dbraw/zinc/28/61/77/346286177.db2.gz XDYPKKKANAIPEW-QGZVFWFLSA-N -1 3 299.370 3.173 20 0 CGADHM CC[C@@H](C)N(CC(=O)[O-])Cc1ccc(C)cc1Cl ZINC000233840676 346329361 /nfs/dbraw/zinc/32/93/61/346329361.db2.gz ZMMCTMQKSMGSJI-LLVKDONJSA-N -1 3 269.772 3.334 20 0 CGADHM CSCC1(CC(=O)Nc2c(C)cccc2[O-])CC1 ZINC000593575343 347091791 /nfs/dbraw/zinc/09/17/91/347091791.db2.gz KGRLNHMCMBNTIQ-UHFFFAOYSA-N -1 3 265.378 3.172 20 0 CGADHM [O-]c1ccc(-c2noc(-c3cnc(C4CC4)s3)n2)cc1 ZINC000350592691 346523558 /nfs/dbraw/zinc/52/35/58/346523558.db2.gz ZGINZXNOHBXENW-UHFFFAOYSA-N -1 3 285.328 3.443 20 0 CGADHM O=C(Nc1ccc([O-])cc1Cl)[C@@H]1CCC(F)(F)C1 ZINC000380027225 346555946 /nfs/dbraw/zinc/55/59/46/346555946.db2.gz WDEKLFXRRBPQGQ-SSDOTTSWSA-N -1 3 275.682 3.420 20 0 CGADHM COc1cc(Cl)ccc1CN1CC[C@H](C)C[C@H]1C(=O)[O-] ZINC000584844566 346719026 /nfs/dbraw/zinc/71/90/26/346719026.db2.gz FAXLCUZWNRZTTC-GWCFXTLKSA-N -1 3 297.782 3.034 20 0 CGADHM C[C@@H](CC(=O)N1CC[C@@H](C)c2cccc([O-])c21)n1ccnc1 ZINC000583208385 346679271 /nfs/dbraw/zinc/67/92/71/346679271.db2.gz ZNJYXTPYDMUDDY-OLZOCXBDSA-N -1 3 299.374 3.080 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2cc(F)ccc2Cl)n1 ZINC000351774242 219202547 /nfs/dbraw/zinc/20/25/47/219202547.db2.gz KSDSPYOLRDYQRS-UHFFFAOYSA-N -1 3 280.686 3.140 20 0 CGADHM CSCC(C)(C)C(=O)Nc1ccc([O-])cc1Cl ZINC000597859012 347596524 /nfs/dbraw/zinc/59/65/24/347596524.db2.gz ZCRQOWHVBYVGAD-UHFFFAOYSA-N -1 3 273.785 3.373 20 0 CGADHM CS[C@H]1CCC[C@H](NC(=O)c2c(C)cccc2[O-])C1 ZINC000599530535 347751429 /nfs/dbraw/zinc/75/14/29/347751429.db2.gz ZWUSDCYZLQTLDX-RYUDHWBXSA-N -1 3 279.405 3.105 20 0 CGADHM C[C@@H](NCc1cccc([O-])c1Cl)c1cncc(F)c1 ZINC000339348149 215110835 /nfs/dbraw/zinc/11/08/35/215110835.db2.gz ZSJWNGITODCFPF-SECBINFHSA-N -1 3 280.730 3.431 20 0 CGADHM C[C@@H](CC(=O)Nc1ccccc1[O-])C(=O)c1ccccc1 ZINC000602323208 347947888 /nfs/dbraw/zinc/94/78/88/347947888.db2.gz WVHZVUAAPRHHPO-LBPRGKRZSA-N -1 3 283.327 3.240 20 0 CGADHM CSc1ccc([O-])c(C(=O)N(C)[C@H](C)C2(C)CC2)c1 ZINC000612084722 348492572 /nfs/dbraw/zinc/49/25/72/348492572.db2.gz RIYMEUPQLSDOPW-SNVBAGLBSA-N -1 3 279.405 3.375 20 0 CGADHM O=C(Nc1ccc(Cl)cc1[O-])[C@H]1C[C@H]2C[C@H]2C1 ZINC000613028546 348560232 /nfs/dbraw/zinc/56/02/32/348560232.db2.gz QOGMSVRVXQYADY-BRPSZJMVSA-N -1 3 251.713 3.030 20 0 CGADHM COc1ccc(NC(=O)C(C)(C)CC(F)(F)F)c([O-])c1 ZINC000613832717 348634305 /nfs/dbraw/zinc/63/43/05/348634305.db2.gz IKOFFEJTARJDBH-UHFFFAOYSA-N -1 3 291.269 3.318 20 0 CGADHM Cc1ccc(C(=O)NCc2ccc([C@@H]3C[C@H]3C)o2)c([O-])c1 ZINC000614752607 348692349 /nfs/dbraw/zinc/69/23/49/348692349.db2.gz DBRQYRZJQQXWNO-BXUZGUMPSA-N -1 3 285.343 3.347 20 0 CGADHM C[C@H]1C[C@@H]1c1ccc(CNC(=O)c2ccccc2[O-])o1 ZINC000614755518 348692478 /nfs/dbraw/zinc/69/24/78/348692478.db2.gz YMOXZKUHTJKLHC-GWCFXTLKSA-N -1 3 271.316 3.039 20 0 CGADHM O=C(c1ccc2c(c1[O-])CCCC2)N1CC[C@H]1C(F)(F)F ZINC000615029952 348709303 /nfs/dbraw/zinc/70/93/03/348709303.db2.gz LUJWYBIQPRAZKZ-LBPRGKRZSA-N -1 3 299.292 3.048 20 0 CGADHM C[C@H]1CCCC[C@@H]1C(=O)NCc1ccc([O-])c2ncccc12 ZINC000616021131 348781766 /nfs/dbraw/zinc/78/17/66/348781766.db2.gz VRLHCURZZUYRER-JSGCOSHPSA-N -1 3 298.386 3.383 20 0 CGADHM O=C(c1ccc2c(c1[O-])CCCC2)N1C[C@@H]2CCCC[C@@H]21 ZINC000616724214 348873178 /nfs/dbraw/zinc/87/31/78/348873178.db2.gz FMQNMOIDNROJFN-BBRMVZONSA-N -1 3 285.387 3.286 20 0 CGADHM Cc1ccn2c(C=Cc3cc(=O)[n-]c(C4CC4)n3)cnc2c1 ZINC000352008232 219285464 /nfs/dbraw/zinc/28/54/64/219285464.db2.gz OBRORFZKSISPLT-PLNGDYQASA-N -1 3 292.342 3.186 20 0 CGADHM CC(C)c1ccc(C(=O)N[C@@H](C)c2cscn2)c([O-])c1 ZINC000617823647 349015597 /nfs/dbraw/zinc/01/55/97/349015597.db2.gz KBZRTSQMEYVTSO-JTQLQIEISA-N -1 3 290.388 3.463 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2c(F)cccc2Cl)n1 ZINC000352027898 219292967 /nfs/dbraw/zinc/29/29/67/219292967.db2.gz RGOBNEOANSJJNM-WAYWQWQTSA-N -1 3 264.687 3.454 20 0 CGADHM Cc1ccc2nc(C=Cc3cc(=O)[n-]c(C4CC4)n3)cn2c1 ZINC000352020824 219291679 /nfs/dbraw/zinc/29/16/79/219291679.db2.gz LEWMBRZNTZCPJC-AATRIKPKSA-N -1 3 292.342 3.186 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2cc(Cl)cc3c2OCC3)n1 ZINC000352035029 219297149 /nfs/dbraw/zinc/29/71/49/219297149.db2.gz LCHCYBJLJYNISL-IHWYPQMZSA-N -1 3 288.734 3.249 20 0 CGADHM CCOc1ccc(C=Cc2nc(C)cc(=O)[n-]2)cc1F ZINC000352035431 219297215 /nfs/dbraw/zinc/29/72/15/219297215.db2.gz QVSYOFBCYAWVKO-FNORWQNLSA-N -1 3 274.295 3.199 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2cc3ccccc3o2)n1 ZINC000352035702 219298918 /nfs/dbraw/zinc/29/89/18/219298918.db2.gz TVKUZDDAPHHHOI-SREVYHEPSA-N -1 3 252.273 3.407 20 0 CGADHM COc1ccc(C(=O)N(CCC2CC2)CC2CC2)c([O-])c1 ZINC000620628932 349399101 /nfs/dbraw/zinc/39/91/01/349399101.db2.gz UTXDGAKNVWVPIH-UHFFFAOYSA-N -1 3 289.375 3.053 20 0 CGADHM CCCCC[C@@H]1CCCCN1C(=O)Cc1cncc([O-])c1 ZINC000620566695 349384708 /nfs/dbraw/zinc/38/47/08/349384708.db2.gz NNGUFSVEIQDDJT-OAHLLOKOSA-N -1 3 290.407 3.291 20 0 CGADHM [O-]c1cncc(-c2nc(-c3ccccc3Cl)no2)c1 ZINC000104416997 185994022 /nfs/dbraw/zinc/99/40/22/185994022.db2.gz SHFDLCQYPNMNNO-UHFFFAOYSA-N -1 3 273.679 3.158 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CCC[C@H]1C1CCCC1 ZINC000624499237 350055681 /nfs/dbraw/zinc/05/56/81/350055681.db2.gz FVMKFTOZVOVKBJ-AWEZNQCLSA-N -1 3 273.376 3.495 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CCC[C@@H]1C(C)(C)C ZINC000625264168 350149589 /nfs/dbraw/zinc/14/95/89/350149589.db2.gz BXTAVEPXFZYWDB-CYBMUJFWSA-N -1 3 261.365 3.351 20 0 CGADHM CO[C@@H](C)CN(Cc1cc([O-])ccc1Cl)C(C)C ZINC000625181709 350137592 /nfs/dbraw/zinc/13/75/92/350137592.db2.gz BDILJUFWVKQDSR-NSHDSACASA-N -1 3 271.788 3.291 20 0 CGADHM [O-]c1ccc(Cl)c(CN2CCC(OCC3CC3)CC2)c1 ZINC000625209196 350140505 /nfs/dbraw/zinc/14/05/05/350140505.db2.gz SXBSCWZXLBIXLL-UHFFFAOYSA-N -1 3 295.810 3.437 20 0 CGADHM COC[C@H](NCc1cc([O-])ccc1Cl)c1ccco1 ZINC000625319891 350158037 /nfs/dbraw/zinc/15/80/37/350158037.db2.gz RBOVYVFYNVOBLC-ZDUSSCGKSA-N -1 3 281.739 3.116 20 0 CGADHM C[C@H](NCc1cc([O-])ccc1Cl)c1cscn1 ZINC000625534771 350181918 /nfs/dbraw/zinc/18/19/18/350181918.db2.gz BUQZFXMDPGKIJD-QMMMGPOBSA-N -1 3 268.769 3.353 20 0 CGADHM COC1CCC(N(C)C(=O)c2ccc(C)c(C)c2[O-])CC1 ZINC000271317895 191070791 /nfs/dbraw/zinc/07/07/91/191070791.db2.gz UCDVJLVXQUSHKX-UHFFFAOYSA-N -1 3 291.391 3.039 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CCC(C(C)C)CC1 ZINC000625846274 350220116 /nfs/dbraw/zinc/22/01/16/350220116.db2.gz TYIYTJRAEKXHSB-UHFFFAOYSA-N -1 3 261.365 3.209 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CC2(CC2)c2ccccc21 ZINC000625756133 350207821 /nfs/dbraw/zinc/20/78/21/350207821.db2.gz MOBYJPVSSANRAR-UHFFFAOYSA-N -1 3 279.339 3.393 20 0 CGADHM C/C=C\C[C@H]1CCCN(Cc2ccc(C(=O)[O-])o2)C1 ZINC000625971718 350237601 /nfs/dbraw/zinc/23/76/01/350237601.db2.gz WIGPPJFAZOFHEL-DLGQBQFBSA-N -1 3 263.337 3.156 20 0 CGADHM Cc1cccc([C@@H]2C[C@H]2C(=O)NCc2ccc([O-])c(F)c2)c1 ZINC000626194912 350282193 /nfs/dbraw/zinc/28/21/93/350282193.db2.gz HACBOADBIMSILW-LSDHHAIUSA-N -1 3 299.345 3.260 20 0 CGADHM Cc1cccc([O-])c1C(=O)N[C@@H]1CCO[C@H](CC(C)C)C1 ZINC000626378728 350299900 /nfs/dbraw/zinc/29/99/00/350299900.db2.gz ZBUSEEOIAGATOQ-ZIAGYGMSSA-N -1 3 291.391 3.024 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000626415362 350304035 /nfs/dbraw/zinc/30/40/35/350304035.db2.gz XMCPLSBODUAYEW-PXAZEXFGSA-N -1 3 273.376 3.353 20 0 CGADHM COc1ccc(NC(=O)C[C@@H](C)c2ccco2)c([O-])c1 ZINC000626608473 350323079 /nfs/dbraw/zinc/32/30/79/350323079.db2.gz ZTJXEAUZOMWZLM-SNVBAGLBSA-N -1 3 275.304 3.126 20 0 CGADHM Cc1cccc2c1OCC[C@H]2NC(=O)c1c(C)cccc1[O-] ZINC000626631696 350325630 /nfs/dbraw/zinc/32/56/30/350325630.db2.gz KNDHVLPWSZJIOQ-CQSZACIVSA-N -1 3 297.354 3.263 20 0 CGADHM Cc1cccc([O-])c1C(=O)Nc1scnc1C1CC1 ZINC000626303122 350293212 /nfs/dbraw/zinc/29/32/12/350293212.db2.gz JDLLNXUXRUBWKX-UHFFFAOYSA-N -1 3 274.345 3.287 20 0 CGADHM Cc1cccc([O-])c1C(=O)NCC(C)(C)C(F)(F)F ZINC000626930700 350348270 /nfs/dbraw/zinc/34/82/70/350348270.db2.gz HIKBWSPPXWMMLD-UHFFFAOYSA-N -1 3 275.270 3.019 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1C[C@@H](C(C)C)[C@H]1C(C)C ZINC000627641955 350373030 /nfs/dbraw/zinc/37/30/30/350373030.db2.gz ZFBOBPPLBYESJI-XJKSGUPXSA-N -1 3 275.392 3.453 20 0 CGADHM CCO[C@H](C(=O)Nc1ccc([O-])cc1Cl)C(C)C ZINC000628035327 350393212 /nfs/dbraw/zinc/39/32/12/350393212.db2.gz HYCQNDMGNDSHFA-LBPRGKRZSA-N -1 3 271.744 3.045 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CCC[C@@H](C2CCC2)C1 ZINC000628140150 350408672 /nfs/dbraw/zinc/40/86/72/350408672.db2.gz BICHCLQJLPTRNK-CQSZACIVSA-N -1 3 273.376 3.353 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000628172395 350421602 /nfs/dbraw/zinc/42/16/02/350421602.db2.gz GKIOUFXERMQCIB-KBPBESRZSA-N -1 3 273.376 3.495 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCC(C)(C3CC3)CC2)n1 ZINC000352188910 219354082 /nfs/dbraw/zinc/35/40/82/219354082.db2.gz KFXGRWSMHJDXAM-GFCCVEGCSA-N -1 3 275.396 3.064 20 0 CGADHM Cc1cc(=O)[n-]c(C(C)(C)NCc2cccc3c2CCC3)n1 ZINC000628374879 350519689 /nfs/dbraw/zinc/51/96/89/350519689.db2.gz JSPQYWBZHFQKBF-UHFFFAOYSA-N -1 3 297.402 3.004 20 0 CGADHM CCCc1cccc(CNC(C)(C)c2nc(C)cc(=O)[n-]2)c1 ZINC000628375077 350520276 /nfs/dbraw/zinc/52/02/76/350520276.db2.gz YIGVLAWMMQEQLG-UHFFFAOYSA-N -1 3 299.418 3.468 20 0 CGADHM CC[C@H](CS(=O)(=O)[N-]c1cccc([C@@H](C)CC)c1)OC ZINC000629313379 350674967 /nfs/dbraw/zinc/67/49/67/350674967.db2.gz JTLYGQSGKWZHCX-SWLSCSKDSA-N -1 3 299.436 3.367 20 0 CGADHM Cn1ncc2c1nc(SCCCC1CCCC1)[n-]c2=O ZINC000629218696 350670280 /nfs/dbraw/zinc/67/02/80/350670280.db2.gz SHFRSFXECQROMM-UHFFFAOYSA-N -1 3 292.408 3.131 20 0 CGADHM C[C@H]1CN(Cc2cc3cc(F)ccc3o2)CC[C@H]1C(=O)[O-] ZINC000629772738 350766702 /nfs/dbraw/zinc/76/67/02/350766702.db2.gz WDPMEYRFWDJNGK-IINYFYTJSA-N -1 3 291.322 3.115 20 0 CGADHM CCc1nc(CNC[C@@H](CC(=O)[O-])C2CCCC2)cs1 ZINC000630473556 350846128 /nfs/dbraw/zinc/84/61/28/350846128.db2.gz ZTNXGGDYIHILTQ-GFCCVEGCSA-N -1 3 296.436 3.076 20 0 CGADHM c1nn2c(c1[N-]c1nc3ccccc3o1)CCCC2 ZINC000631486334 351051433 /nfs/dbraw/zinc/05/14/33/351051433.db2.gz HCODVRKRZSGTOY-UHFFFAOYSA-N -1 3 254.293 3.104 20 0 CGADHM Cc1nc2c(cccc2[N-]C(=O)c2cc(C(C)C)no2)o1 ZINC000633349849 351283426 /nfs/dbraw/zinc/28/34/26/351283426.db2.gz HHVSZGSBMLWVMI-UHFFFAOYSA-N -1 3 285.303 3.500 20 0 CGADHM O=C(Nc1ccc([O-])cc1Cl)C1(C(F)F)CCC1 ZINC000633603288 351330440 /nfs/dbraw/zinc/33/04/40/351330440.db2.gz CTQXBJUBILYVNX-UHFFFAOYSA-N -1 3 275.682 3.420 20 0 CGADHM CC1(F)CCN(C(=O)c2ccc3c(c2[O-])CCCC3)CC1 ZINC000634360175 351475350 /nfs/dbraw/zinc/47/53/50/351475350.db2.gz CDCKTTVFKXJUPW-UHFFFAOYSA-N -1 3 291.366 3.235 20 0 CGADHM Cc1ccnc(-n2[n-]c(-c3ccccc3)c(C(C)C)c2=O)c1 ZINC000634600310 351535420 /nfs/dbraw/zinc/53/54/20/351535420.db2.gz CGXPEQVIDNWMPQ-INIZCTEOSA-N -1 3 293.370 3.413 20 0 CGADHM C[C@@H]1CCc2[n-]n(Cc3ccc(Cl)cc3)c(=O)c21 ZINC000634607438 351539837 /nfs/dbraw/zinc/53/98/37/351539837.db2.gz XHUJGDOSXKZRFV-NOZJJQNGSA-N -1 3 262.740 3.084 20 0 CGADHM CCc1[n-]n(Cc2ccccc2F)c(=O)c1C(C)C ZINC000634607564 351540181 /nfs/dbraw/zinc/54/01/81/351540181.db2.gz BERYAEATCOFCGZ-CQSZACIVSA-N -1 3 262.328 3.206 20 0 CGADHM Cc1ccc(NC(=O)[C@H](CC(C)C)n2ccnc2)c([O-])c1 ZINC000635097085 351636981 /nfs/dbraw/zinc/63/69/81/351636981.db2.gz ZTBYAOYYHVBHSU-AWEZNQCLSA-N -1 3 287.363 3.123 20 0 CGADHM CCc1cc(C(=O)N2CCC=C(c3ccco3)C2)ccc1[O-] ZINC000291777463 198088918 /nfs/dbraw/zinc/08/89/18/198088918.db2.gz CGWUNJHGTCCYCY-UHFFFAOYSA-N -1 3 297.354 3.477 20 0 CGADHM CCN(C(=O)c1cccc(C)c1[O-])[C@@H]1CCOC(C)(C)C1 ZINC000291764236 198084545 /nfs/dbraw/zinc/08/45/45/198084545.db2.gz ZSJRGBCSCQHOCW-CYBMUJFWSA-N -1 3 291.391 3.120 20 0 CGADHM C[C@@H](CC(=O)[N-]OC/C=C/Cl)c1ccccc1F ZINC000291905404 198101582 /nfs/dbraw/zinc/10/15/82/198101582.db2.gz SJHZPSWFQWVDNJ-QBBOHKLWSA-N -1 3 271.719 3.120 20 0 CGADHM COCCC1(C(=O)Nc2cc(Cl)ccc2[O-])CCC1 ZINC000123831012 187110772 /nfs/dbraw/zinc/11/07/72/187110772.db2.gz KSSNKSZSEMOWAT-UHFFFAOYSA-N -1 3 283.755 3.191 20 0 CGADHM CCc1cc(C(=O)N[C@H](C)Cc2ccc(O)cc2)ccc1[O-] ZINC000292036726 198140863 /nfs/dbraw/zinc/14/08/63/198140863.db2.gz DFMXJOXJNZAOLR-GFCCVEGCSA-N -1 3 299.370 3.021 20 0 CGADHM O=C([N-]OC1CCCC1)[C@@H]1C[C@@H]1c1ccc(F)cc1F ZINC000271625187 191246683 /nfs/dbraw/zinc/24/66/83/191246683.db2.gz ASGVJQCUZSXFDK-CHWSQXEVSA-N -1 3 281.302 3.059 20 0 CGADHM CC1(C)CCCN(C(=O)c2c[n-]c3ccccc3c2=O)CC1 ZINC000152652513 188034975 /nfs/dbraw/zinc/03/49/75/188034975.db2.gz LVZKTEXOZBJUCC-UHFFFAOYSA-N -1 3 298.386 3.180 20 0 CGADHM O=C(c1cc([O-])ccc1Cl)N1CC(C2CCCC2)C1 ZINC000368228533 234293783 /nfs/dbraw/zinc/29/37/83/234293783.db2.gz XKYOKVNXCSKRLN-UHFFFAOYSA-N -1 3 279.767 3.308 20 0 CGADHM CC(C)(C)n1cc(C(=O)Nc2ccc(Cl)cc2[O-])cn1 ZINC000153527580 188087135 /nfs/dbraw/zinc/08/71/35/188087135.db2.gz BJKSSEGPFDAWJI-UHFFFAOYSA-N -1 3 293.754 3.249 20 0 CGADHM CCC[C@@H]1CCCN(C(=O)c2cccc(OC)c2[O-])C1 ZINC000155380448 188202884 /nfs/dbraw/zinc/20/28/84/188202884.db2.gz TWWLAFULORZYLI-GFCCVEGCSA-N -1 3 277.364 3.053 20 0 CGADHM CCCC[C@@H](CC)CC(=O)[N-]OCc1cccnc1 ZINC000155869684 188232542 /nfs/dbraw/zinc/23/25/42/188232542.db2.gz GYOYZNLCWMWGDI-CYBMUJFWSA-N -1 3 264.369 3.236 20 0 CGADHM CCC[C@@H](OC)c1noc(-c2ccc(C)cc2[O-])n1 ZINC000157392210 188314816 /nfs/dbraw/zinc/31/48/16/188314816.db2.gz ZWAQPFNVRXUEGT-GFCCVEGCSA-N -1 3 262.309 3.238 20 0 CGADHM CCC(=O)c1cccc(NC(=O)[N-]OC[C@@H](C)CC)c1 ZINC000292616460 198351728 /nfs/dbraw/zinc/35/17/28/198351728.db2.gz HHXVOFMGIJVFAX-NSHDSACASA-N -1 3 278.352 3.379 20 0 CGADHM CC[C@H](C)[C@@H](C(=O)NCc1ncccc1[O-])c1ccccc1 ZINC000352502637 219484331 /nfs/dbraw/zinc/48/43/31/219484331.db2.gz WZIHUODGUICPSP-SUMWQHHRSA-N -1 3 298.386 3.233 20 0 CGADHM O=C([N-][C@H]1CCSc2ccc(Cl)cc21)C(F)F ZINC000185552960 295897067 /nfs/dbraw/zinc/89/70/67/295897067.db2.gz PVTNMNDBNFUODN-QMMMGPOBSA-N -1 3 277.723 3.258 20 0 CGADHM O=C(NCCC1=CCCCC1)NCc1ccc([O-])c(F)c1 ZINC000172508917 188808460 /nfs/dbraw/zinc/80/84/60/188808460.db2.gz QLZLYGKFHYLXPS-UHFFFAOYSA-N -1 3 292.354 3.221 20 0 CGADHM CCOc1ccc(CCC(=O)[N-]OC2CCCC2)cc1 ZINC000271825989 191350487 /nfs/dbraw/zinc/35/04/87/191350487.db2.gz WGVUIDJNHSMMSH-UHFFFAOYSA-N -1 3 277.364 3.008 20 0 CGADHM O=c1cc(CSCCC(F)(F)F)nc(C2CC2)[n-]1 ZINC000413002372 235239553 /nfs/dbraw/zinc/23/95/53/235239553.db2.gz FREMRCNFKMFMFE-UHFFFAOYSA-N -1 3 278.299 3.245 20 0 CGADHM CC/C=C/CNC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000295934661 199724465 /nfs/dbraw/zinc/72/44/65/199724465.db2.gz KFWLXEOGJUCBIM-SNAWJCMRSA-N -1 3 288.322 3.084 20 0 CGADHM Cc1cc(C(=O)N2CC(C)(C)[C@@H]2c2ccncc2)ccc1[O-] ZINC000293770762 198766141 /nfs/dbraw/zinc/76/61/41/198766141.db2.gz DJLBOEJCCPKNPG-INIZCTEOSA-N -1 3 296.370 3.319 20 0 CGADHM COc1cccc([C@H]2C[C@@H]2C(=O)Nc2ccccc2[O-])c1 ZINC000106902590 138355452 /nfs/dbraw/zinc/35/54/52/138355452.db2.gz UWGXYIZPVZHYOI-KGLIPLIRSA-N -1 3 283.327 3.143 20 0 CGADHM COc1ccc([O-])c(C(=O)N(Cc2ccccc2)C2CC2)c1 ZINC000123507713 138368223 /nfs/dbraw/zinc/36/82/23/138368223.db2.gz IRRUESKYTBRKLX-UHFFFAOYSA-N -1 3 297.354 3.206 20 0 CGADHM O=C(Cc1cccc2ccccc21)Nc1ccncc1[O-] ZINC000109890404 138362318 /nfs/dbraw/zinc/36/23/18/138362318.db2.gz FZSJCKLHYZVWMZ-UHFFFAOYSA-N -1 3 278.311 3.122 20 0 CGADHM O=C(c1ccccc1[O-])N1CCC[C@H]1Cc1cccc(F)c1 ZINC000128227187 138392809 /nfs/dbraw/zinc/39/28/09/138392809.db2.gz PAUUSQVENZZVQQ-HNNXBMFYSA-N -1 3 299.345 3.379 20 0 CGADHM CC[C@@H](C)c1cc(C(=O)[N-]c2ncc(C)s2)on1 ZINC000129739484 138398053 /nfs/dbraw/zinc/39/80/53/138398053.db2.gz AQRWIEXXKZGNKJ-SSDOTTSWSA-N -1 3 265.338 3.205 20 0 CGADHM O=C([O-])CC[C@H]1CCCC[C@@H]1NCc1ccc(Cl)o1 ZINC000417619537 304063379 /nfs/dbraw/zinc/06/33/79/304063379.db2.gz FFRQHCOAZISRIS-PWSUYJOCSA-N -1 3 285.771 3.446 20 0 CGADHM CCCCCN(C)c1ccc(F)cc1CNCCC(=O)[O-] ZINC000340678931 215681115 /nfs/dbraw/zinc/68/11/15/215681115.db2.gz MQDYGYYDRFJUGX-UHFFFAOYSA-N -1 3 296.386 3.016 20 0 CGADHM Cc1cc(F)c(CN[C@@H](C)CCCCC(=O)[O-])c(F)c1 ZINC000424613904 236172403 /nfs/dbraw/zinc/17/24/03/236172403.db2.gz HAIOEUMDVNPGKI-NSHDSACASA-N -1 3 285.334 3.396 20 0 CGADHM CN(C(=O)Cc1ccc([O-])c(F)c1)[C@H]1CCc2ccccc21 ZINC000336241966 213073642 /nfs/dbraw/zinc/07/36/42/213073642.db2.gz OCKVFXMYAMTTCM-INIZCTEOSA-N -1 3 299.345 3.220 20 0 CGADHM CC(C)(C(=O)[N-]C1=NCCS1)c1cccc2ccccc21 ZINC000294488699 199059917 /nfs/dbraw/zinc/05/99/17/199059917.db2.gz RGQFDTZDTGXCBZ-UHFFFAOYSA-N -1 3 298.411 3.336 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)[C@]2(C)C[C@H]2F)c1[O-] ZINC000424754682 236187773 /nfs/dbraw/zinc/18/77/73/236187773.db2.gz QOXGLLCXNRHCEF-BXKDBHETSA-N -1 3 257.692 3.041 20 0 CGADHM Cc1ccccc1CN[C@@H](CC(=O)[O-])c1ccsc1 ZINC000426681611 236306144 /nfs/dbraw/zinc/30/61/44/236306144.db2.gz BMZBVMUAUOSUGF-AWEZNQCLSA-N -1 3 275.373 3.362 20 0 CGADHM Cc1cccc([O-])c1NC(=O)[C@H]1CCC(F)(F)C1 ZINC000336150195 212964084 /nfs/dbraw/zinc/96/40/84/212964084.db2.gz IRTDPMCLYYPSIV-VIFPVBQESA-N -1 3 255.264 3.075 20 0 CGADHM O=C([O-])[C@H](NC/C=C/c1ccc(F)cc1)c1ccsc1 ZINC000426795009 236314498 /nfs/dbraw/zinc/31/44/98/236314498.db2.gz WLHLCSDIUJQQGI-VSZDKKFSSA-N -1 3 291.347 3.316 20 0 CGADHM Cc1ccc(F)cc1CN[C@H](C(=O)[O-])c1ccsc1 ZINC000426814636 236316318 /nfs/dbraw/zinc/31/63/18/236316318.db2.gz AAVHXTXRSKVFTR-ZDUSSCGKSA-N -1 3 279.336 3.111 20 0 CGADHM [O-]c1ccc(F)c(CN2CCC([C@@H]3CCCO3)CC2)c1F ZINC000294733540 199157689 /nfs/dbraw/zinc/15/76/89/199157689.db2.gz QGBDKUPSRVSFED-HNNXBMFYSA-N -1 3 297.345 3.061 20 0 CGADHM Cc1ccc(-c2nc(Cc3cccnc3)no2)c([O-])c1C ZINC000436518048 237120882 /nfs/dbraw/zinc/12/08/82/237120882.db2.gz VZWCIYNONYIKJL-UHFFFAOYSA-N -1 3 281.315 3.045 20 0 CGADHM O=C([O-])c1cccc(CN[C@H]2CCCc3c(O)cccc32)c1 ZINC000414635733 295990796 /nfs/dbraw/zinc/99/07/96/295990796.db2.gz IBLMQXHYPATOHR-INIZCTEOSA-N -1 3 297.354 3.258 20 0 CGADHM Cc1ccc(C(C)(C)CNC(=O)c2c([O-])cccc2O)cc1 ZINC000436650584 237151463 /nfs/dbraw/zinc/15/14/63/237151463.db2.gz WZGGHUIIKLQELE-UHFFFAOYSA-N -1 3 299.370 3.114 20 0 CGADHM CCc1noc(CC)c1Cc1nc(-c2ccc([O-])cc2)no1 ZINC000436535351 237125373 /nfs/dbraw/zinc/12/53/73/237125373.db2.gz SCMCEUXESVRFOM-UHFFFAOYSA-N -1 3 299.330 3.146 20 0 CGADHM Cc1cccc([C@@H](C)CNC(=O)c2ccccc2[O-])c1 ZINC000436559597 237127785 /nfs/dbraw/zinc/12/77/85/237127785.db2.gz ABPALXJIQIXGPD-ZDUSSCGKSA-N -1 3 269.344 3.234 20 0 CGADHM Cc1ccc(C(=O)N2CC[C@]3(CC[C@H](C)C3)C2)c([O-])c1 ZINC000436708835 237163714 /nfs/dbraw/zinc/16/37/14/237163714.db2.gz YQJNTNPEHDPTIJ-GUYCJALGSA-N -1 3 273.376 3.353 20 0 CGADHM Cc1ccc(C(=O)N(C)C[C@@H]2CC=CCC2)c([O-])c1C ZINC000436838313 237194305 /nfs/dbraw/zinc/19/43/05/237194305.db2.gz MLDRQMBNRKUHGU-CQSZACIVSA-N -1 3 273.376 3.437 20 0 CGADHM Cc1ccc(/C=C\c2nc(-c3ccc([O-])cc3)no2)cn1 ZINC000436889281 237203123 /nfs/dbraw/zinc/20/31/23/237203123.db2.gz VYIRBVCCAPTKCC-WTKPLQERSA-N -1 3 279.299 3.316 20 0 CGADHM Cc1ccc(C(=O)NCC2(c3cccc(F)c3)CC2)c([O-])c1 ZINC000436888601 237205038 /nfs/dbraw/zinc/20/50/38/237205038.db2.gz OEWKYYWTFGUPNL-UHFFFAOYSA-N -1 3 299.345 3.301 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)Nc1ccc(Cl)nc1C ZINC000296978328 200052210 /nfs/dbraw/zinc/05/22/10/200052210.db2.gz DQLAFSJDIWYRMK-MRVPVSSYSA-N -1 3 271.748 3.143 20 0 CGADHM CC(C)Oc1cccc(NC([O-])=NO[C@@H]2CCCCO2)c1 ZINC000297346563 200156962 /nfs/dbraw/zinc/15/69/62/200156962.db2.gz PJLQHHGYUXDMTB-CQSZACIVSA-N -1 3 294.351 3.054 20 0 CGADHM CC(C)Oc1cccc(NC(=O)[N-]O[C@@H]2CCCCO2)c1 ZINC000297346563 200156964 /nfs/dbraw/zinc/15/69/64/200156964.db2.gz PJLQHHGYUXDMTB-CQSZACIVSA-N -1 3 294.351 3.054 20 0 CGADHM Cc1cccc([C@@H](C)NC(=O)c2ccc(O)cc2[O-])c1C ZINC000439060825 238225505 /nfs/dbraw/zinc/22/55/05/238225505.db2.gz QHWHCBFIDFFUHY-GFCCVEGCSA-N -1 3 285.343 3.206 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CCC[C@@H]2c2cccn2C)c1 ZINC000180352116 189251290 /nfs/dbraw/zinc/25/12/90/189251290.db2.gz CPRKGJNWFLQWAX-OAHLLOKOSA-N -1 3 284.359 3.016 20 0 CGADHM C[C@H]1SCCN(Cc2cccc([O-])c2Cl)[C@@H]1C ZINC000351622815 291260732 /nfs/dbraw/zinc/26/07/32/291260732.db2.gz FQPGUOQPWJAXSQ-NXEZZACHSA-N -1 3 271.813 3.371 20 0 CGADHM CCO[N-]C(=O)Nc1ccc(C)c(C(F)(F)F)c1 ZINC000182905664 189339114 /nfs/dbraw/zinc/33/91/14/189339114.db2.gz JXYSIBASCSTKPX-UHFFFAOYSA-N -1 3 262.231 3.087 20 0 CGADHM O=C([O-])[C@@H]1CCCCN1Cc1ccccc1C(F)(F)F ZINC000003754724 304105461 /nfs/dbraw/zinc/10/54/61/304105461.db2.gz KDCSUJCRWNZGEE-LBPRGKRZSA-N -1 3 287.281 3.145 20 0 CGADHM Cc1cccc(OCCC(=O)Nc2ccccc2[O-])c1 ZINC000120445279 370768167 /nfs/dbraw/zinc/76/81/67/370768167.db2.gz WOJMYNYRJJNXSM-UHFFFAOYSA-N -1 3 271.316 3.108 20 0 CGADHM Cc1oc(C2CC2)nc1C(=O)Nc1ccc(C)cc1[O-] ZINC000335659136 212377195 /nfs/dbraw/zinc/37/71/95/212377195.db2.gz NKVBEPGJPMZECR-UHFFFAOYSA-N -1 3 272.304 3.127 20 0 CGADHM CCc1nc(C)c(NC(=O)Cc2ccc([O-])c(F)c2)s1 ZINC000450764023 240080068 /nfs/dbraw/zinc/08/00/68/240080068.db2.gz PUMRKMORRDTLJC-UHFFFAOYSA-N -1 3 294.351 3.040 20 0 CGADHM Cc1csc(S(=O)(=O)[N-]C2CCCCCC2)c1 ZINC000450968294 240174718 /nfs/dbraw/zinc/17/47/18/240174718.db2.gz KJOVEQQAVYADCR-UHFFFAOYSA-N -1 3 273.423 3.058 20 0 CGADHM C[C@H]([N-]S(=O)(=O)c1ccc2ccccc2c1F)C1CC1 ZINC000451012313 240190418 /nfs/dbraw/zinc/19/04/18/240190418.db2.gz ZXMHVNZUBRHROJ-JTQLQIEISA-N -1 3 293.363 3.056 20 0 CGADHM Cc1csc(S(=O)(=O)[N-][C@H](C)c2cc(C)oc2C)c1 ZINC000451123859 240225892 /nfs/dbraw/zinc/22/58/92/240225892.db2.gz BVUKCDRVFFQDKF-SNVBAGLBSA-N -1 3 299.417 3.306 20 0 CGADHM CC(C)c1cc(C(=O)N2CCC2)c([O-])c(C(C)C)c1 ZINC000120921960 370812743 /nfs/dbraw/zinc/81/27/43/370812743.db2.gz KKWXXNYUGIMWML-UHFFFAOYSA-N -1 3 261.365 3.485 20 0 CGADHM C[C@@H]1CN(Cc2cc(=O)[n-]c(C3CC3)n2)c2ccccc21 ZINC000459310719 242065477 /nfs/dbraw/zinc/06/54/77/242065477.db2.gz WYVMOILQDSXLDA-LLVKDONJSA-N -1 3 281.359 3.183 20 0 CGADHM C[C@@H]1CCCC[C@@H]1C(=O)Nc1cccc([O-])c1F ZINC000335538131 212237000 /nfs/dbraw/zinc/23/70/00/212237000.db2.gz GJEYWESDQVEVRF-ZJUUUORDSA-N -1 3 251.301 3.296 20 0 CGADHM CC(C)[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000485436377 243335255 /nfs/dbraw/zinc/33/52/55/243335255.db2.gz JYCPPOWGRNACIH-QMMMGPOBSA-N -1 3 296.219 3.316 20 0 CGADHM COc1ccccc1C=CC=Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000486053047 243352303 /nfs/dbraw/zinc/35/23/03/243352303.db2.gz KWWRXYJBWQDXBG-XATRDHJGSA-N -1 3 294.354 3.383 20 0 CGADHM CCc1cc(C(=O)N[C@@H]2CCC(C)(C)C2)ccc1[O-] ZINC000486970364 243389218 /nfs/dbraw/zinc/38/92/18/243389218.db2.gz RDHDKPZVXSTAHQ-CYBMUJFWSA-N -1 3 261.365 3.263 20 0 CGADHM CCc1cc(C(=O)Nc2cccc(CCCO)c2)ccc1[O-] ZINC000487051984 243397746 /nfs/dbraw/zinc/39/77/46/243397746.db2.gz WWYPVVUAQANJFY-UHFFFAOYSA-N -1 3 299.370 3.132 20 0 CGADHM CCCn1c(=O)[n-]nc1SCc1cc2ccccc2o1 ZINC000486608865 243366858 /nfs/dbraw/zinc/36/68/58/243366858.db2.gz CRQCCZHNXOKVGT-UHFFFAOYSA-N -1 3 289.360 3.432 20 0 CGADHM CCc1cc(C(=O)N[C@@H](C)Cc2cccc(O)c2)ccc1[O-] ZINC000486765204 243370426 /nfs/dbraw/zinc/37/04/26/243370426.db2.gz FUQRSSBMIIFAKS-LBPRGKRZSA-N -1 3 299.370 3.021 20 0 CGADHM O=C(c1ccccc1[O-])N(Cc1ccco1)Cc1ccco1 ZINC000013831430 368668038 /nfs/dbraw/zinc/66/80/38/368668038.db2.gz LUOOYTVSINPLLZ-UHFFFAOYSA-N -1 3 297.310 3.421 20 0 CGADHM O=C(Nc1cccc2ncccc21)c1cccc([O-])c1 ZINC000019838357 368770082 /nfs/dbraw/zinc/77/00/82/368770082.db2.gz TXBPQNFMQWQUCO-UHFFFAOYSA-N -1 3 264.284 3.193 20 0 CGADHM CCc1ccccc1NC(=O)c1cccc(OC)c1[O-] ZINC000019839997 368771446 /nfs/dbraw/zinc/77/14/46/368771446.db2.gz NJLNTCLSASKPED-UHFFFAOYSA-N -1 3 271.316 3.216 20 0 CGADHM COc1cccc(C(=O)Nc2cc(C)cc(C)c2)c1[O-] ZINC000019839812 368771571 /nfs/dbraw/zinc/77/15/71/368771571.db2.gz QVJGQYIZNWGNKL-UHFFFAOYSA-N -1 3 271.316 3.270 20 0 CGADHM COc1ccc(/C=C\C(=O)Nc2ccc(OC)cc2[O-])cc1 ZINC000491984782 243851788 /nfs/dbraw/zinc/85/17/88/243851788.db2.gz QSLNDJVDADONJD-YHYXMXQVSA-N -1 3 299.326 3.061 20 0 CGADHM Cc1ncsc1/C=C\C(=O)Nc1c(C)cccc1[O-] ZINC000492664135 244003413 /nfs/dbraw/zinc/00/34/13/244003413.db2.gz TYZASXPYVDUBOT-SREVYHEPSA-N -1 3 274.345 3.117 20 0 CGADHM C[C@@H]1C[C@H]1c1ccc(/C=C\C(=O)[N-]OC2CCC2)o1 ZINC000493422216 244161170 /nfs/dbraw/zinc/16/11/70/244161170.db2.gz BYAWSBQSIMSQEG-RRJFDULASA-N -1 3 261.321 3.017 20 0 CGADHM O=C(/C=C\c1cccc(C(F)(F)F)c1)[N-]OC1CCC1 ZINC000493555550 244185318 /nfs/dbraw/zinc/18/53/18/244185318.db2.gz NSQGSXRSQQKEDR-FPLPWBNLSA-N -1 3 285.265 3.319 20 0 CGADHM COCc1nc(=O)c2c(-c3ccc(C)cc3)csc2[n-]1 ZINC000053844036 369489295 /nfs/dbraw/zinc/48/92/95/369489295.db2.gz VJDVUDKZUCBOKY-UHFFFAOYSA-N -1 3 286.356 3.106 20 0 CGADHM O=C([O-])[C@@H](NCc1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000074404049 369877561 /nfs/dbraw/zinc/87/75/61/369877561.db2.gz BONGPEPQIAKDOU-AWEZNQCLSA-N -1 3 293.725 3.395 20 0 CGADHM CC[C@@]1(C)CCCN(C(=O)c2ccc(OC)cc2[O-])C1 ZINC000075213370 369899658 /nfs/dbraw/zinc/89/96/58/369899658.db2.gz PVJWEOBPWMDBNZ-INIZCTEOSA-N -1 3 277.364 3.053 20 0 CGADHM C[C@@H](C(=O)Nc1ccccc1[O-])c1ccccc1F ZINC000109019200 370359974 /nfs/dbraw/zinc/35/99/74/370359974.db2.gz CFUCIAVKIFDTKH-SNVBAGLBSA-N -1 3 259.280 3.274 20 0 CGADHM CN(CCc1ccccc1O)Cc1cccc([O-])c1Cl ZINC000512399688 245036272 /nfs/dbraw/zinc/03/62/72/245036272.db2.gz LWIYBERSHKODAS-UHFFFAOYSA-N -1 3 291.778 3.426 20 0 CGADHM C[C@H](C(=O)[O-])[C@@H](NCc1ccsc1)c1ccccc1 ZINC000277456665 193659708 /nfs/dbraw/zinc/65/97/08/193659708.db2.gz VHASZNBTWVBPMN-SMDDNHRTSA-N -1 3 275.373 3.300 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)CCC2CC2)c1[O-] ZINC000116979089 370576315 /nfs/dbraw/zinc/57/63/15/370576315.db2.gz JFGSCMIMZXIYEQ-UHFFFAOYSA-N -1 3 253.729 3.483 20 0 CGADHM CC[C@H](C)c1cc(C(=O)[N-]c2nc(C(C)=O)cs2)on1 ZINC000131869966 371134562 /nfs/dbraw/zinc/13/45/62/371134562.db2.gz RRBSAOKTQQIBIB-ZETCQYMHSA-N -1 3 293.348 3.100 20 0 CGADHM CCCC[C@@H](CC)C[N-]S(=O)(=O)c1cccs1 ZINC000013938899 541852716 /nfs/dbraw/zinc/85/27/16/541852716.db2.gz WKOQZDLOSWOXQP-LLVKDONJSA-N -1 3 275.439 3.243 20 0 CGADHM CC[C@@H]1CCCCCN1C(=O)c1ccc(OC)cc1[O-] ZINC000134721208 371361624 /nfs/dbraw/zinc/36/16/24/371361624.db2.gz ZLURUJSSIZYBGR-GFCCVEGCSA-N -1 3 277.364 3.196 20 0 CGADHM Cc1nnc([N-][C@H](C)c2nc(C(F)(F)F)cs2)o1 ZINC000287757584 371702128 /nfs/dbraw/zinc/70/21/28/371702128.db2.gz NAJKHJJYRVBECL-SCSAIBSYSA-N -1 3 278.259 3.026 20 0 CGADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)C1=CCCC1 ZINC000153668579 371779974 /nfs/dbraw/zinc/77/99/74/371779974.db2.gz OOVUEHLOUKFNMQ-UHFFFAOYSA-N -1 3 271.238 3.460 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])c1cccc2[nH]cnc21 ZINC000156222152 371968730 /nfs/dbraw/zinc/96/87/30/371968730.db2.gz HQQFHIJJUMDVLH-UHFFFAOYSA-N -1 3 287.706 3.174 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])c1cccc2nc[nH]c21 ZINC000156222152 371968737 /nfs/dbraw/zinc/96/87/37/371968737.db2.gz HQQFHIJJUMDVLH-UHFFFAOYSA-N -1 3 287.706 3.174 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)Sc2nc3ccccc3[nH]2)n1 ZINC000155859453 371948464 /nfs/dbraw/zinc/94/84/64/371948464.db2.gz UAWFIEINVJVWOV-VIFPVBQESA-N -1 3 286.360 3.220 20 0 CGADHM CCc1cc(=O)[n-]c(CN2CC[C@H](c3cccc(C)c3)C2)n1 ZINC000344185080 217088550 /nfs/dbraw/zinc/08/85/50/217088550.db2.gz BVLCEAPESJUCGH-HNNXBMFYSA-N -1 3 297.402 3.043 20 0 CGADHM C[C@@H](NCc1cccc([O-])c1Cl)[C@@H](O)c1ccccc1 ZINC000292986361 372268661 /nfs/dbraw/zinc/26/86/61/372268661.db2.gz NOONPDXZKSKXAS-BDJLRTHQSA-N -1 3 291.778 3.257 20 0 CGADHM CO[C@@H]1CCCC[C@H]1NCc1cccc([O-])c1Cl ZINC000293176121 372319866 /nfs/dbraw/zinc/31/98/66/372319866.db2.gz GVSZAOBFWBZHJG-DGCLKSJQSA-N -1 3 269.772 3.093 20 0 CGADHM CC(C)(C)c1n[nH]cc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000293430861 372381445 /nfs/dbraw/zinc/38/14/45/372381445.db2.gz LPNIVFSJPHXYDS-UHFFFAOYSA-N -1 3 293.754 3.319 20 0 CGADHM CC(C)(C)c1[nH]ncc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000293430861 372381449 /nfs/dbraw/zinc/38/14/49/372381449.db2.gz LPNIVFSJPHXYDS-UHFFFAOYSA-N -1 3 293.754 3.319 20 0 CGADHM [O-]c1cccc(CNCCCc2ccc(O)cc2)c1Cl ZINC000293474177 372392517 /nfs/dbraw/zinc/39/25/17/372392517.db2.gz FGEAGIOJSTWIFI-UHFFFAOYSA-N -1 3 291.778 3.474 20 0 CGADHM CCCC[C@H](CC)CNC(=O)c1cc(F)cc2nn[n-]c21 ZINC000431509669 372480912 /nfs/dbraw/zinc/48/09/12/372480912.db2.gz PXETZVCXMUIWNH-JTQLQIEISA-N -1 3 292.358 3.043 20 0 CGADHM CCCC[C@H](CC)CNC(=O)c1cc(F)cc2[n-]nnc21 ZINC000431509669 372480919 /nfs/dbraw/zinc/48/09/19/372480919.db2.gz PXETZVCXMUIWNH-JTQLQIEISA-N -1 3 292.358 3.043 20 0 CGADHM CCCC[C@H](CC)CNC(=O)c1cc(F)cc2n[n-]nc21 ZINC000431509669 372480927 /nfs/dbraw/zinc/48/09/27/372480927.db2.gz PXETZVCXMUIWNH-JTQLQIEISA-N -1 3 292.358 3.043 20 0 CGADHM O=C(Nc1ccc2c(c1)CCC2)c1cc(C(F)(F)F)n[n-]1 ZINC000339227886 284323529 /nfs/dbraw/zinc/32/35/29/284323529.db2.gz DOEUNMJBGLJVCA-UHFFFAOYSA-N -1 3 295.264 3.170 20 0 CGADHM O=C(Nc1ccc2c(c1)CCC2)c1cc(C(F)(F)F)[n-]n1 ZINC000339227886 284323530 /nfs/dbraw/zinc/32/35/30/284323530.db2.gz DOEUNMJBGLJVCA-UHFFFAOYSA-N -1 3 295.264 3.170 20 0 CGADHM C[C@](O)(CNCc1cccc([O-])c1Cl)c1cccs1 ZINC000293679922 372447615 /nfs/dbraw/zinc/44/76/15/372447615.db2.gz VMPGVKAIYVAWHD-AWEZNQCLSA-N -1 3 297.807 3.104 20 0 CGADHM Cc1cc(C(=O)N2CC3(CCC3)[C@H]2C(C)C)ccc1[O-] ZINC000293685298 372449730 /nfs/dbraw/zinc/44/97/30/372449730.db2.gz OZIHKESTCGAAFC-OAHLLOKOSA-N -1 3 273.376 3.351 20 0 CGADHM CCC[C@@H]1[C@H](C)CCCN1Cc1nc(CC)cc(=O)[n-]1 ZINC000344385268 217175870 /nfs/dbraw/zinc/17/58/70/217175870.db2.gz XSFARWVFUULOQX-TZMCWYRMSA-N -1 3 277.412 3.145 20 0 CGADHM CC(C)c1ccc(C(=O)N2CCC[C@H]2CF)c([O-])c1 ZINC000294056852 372567352 /nfs/dbraw/zinc/56/73/52/372567352.db2.gz LSGCLFUCOQXETQ-LBPRGKRZSA-N -1 3 265.328 3.090 20 0 CGADHM C[C@@H]1C[C@@H]1c1ccc(CCC(=O)Nc2ncccc2[O-])o1 ZINC000053287333 541878791 /nfs/dbraw/zinc/87/87/91/541878791.db2.gz OZMJFPBVLPVFIB-PWSUYJOCSA-N -1 3 286.331 3.075 20 0 CGADHM CC(C)[C@H](NCc1cccc([O-])c1Cl)C1(CO)CCC1 ZINC000293980201 372544283 /nfs/dbraw/zinc/54/42/83/372544283.db2.gz RFXVVYPQHSSATI-HNNXBMFYSA-N -1 3 297.826 3.322 20 0 CGADHM CC(C)OCCCN(C)Cc1cccc([O-])c1Cl ZINC000295453718 372787375 /nfs/dbraw/zinc/78/73/75/372787375.db2.gz VJNBEBNSCQKUEU-UHFFFAOYSA-N -1 3 271.788 3.293 20 0 CGADHM CC(C)O[N-]C(=O)[C@H]1C[C@@H]1c1cccc2ccccc21 ZINC000295556931 372825207 /nfs/dbraw/zinc/82/52/07/372825207.db2.gz MKRYFBNIKLPGFI-CVEARBPZSA-N -1 3 269.344 3.400 20 0 CGADHM Cc1ccc(C(=O)N2C[C@H](C)CC2(C)C)c([O-])c1C ZINC000436575375 372838659 /nfs/dbraw/zinc/83/86/59/372838659.db2.gz IRQVJVNWDMAPIH-SNVBAGLBSA-N -1 3 261.365 3.270 20 0 CGADHM O=C(N[C@@H]1CC[C@H]2CCCC[C@@H]2C1)c1ccc(O)cc1[O-] ZINC000436764463 372840687 /nfs/dbraw/zinc/84/06/87/372840687.db2.gz QYVICIIORHIOHT-JHJVBQTASA-N -1 3 289.375 3.187 20 0 CGADHM CC(F)(F)CCCNC(=O)c1cc([O-])ccc1Cl ZINC000295566986 372829233 /nfs/dbraw/zinc/82/92/33/372829233.db2.gz LYTHHZRXUHECBC-UHFFFAOYSA-N -1 3 277.698 3.211 20 0 CGADHM CCOc1ncc(C)cc1NC(=O)c1ccc([O-])c(C)c1 ZINC000295738422 372893888 /nfs/dbraw/zinc/89/38/88/372893888.db2.gz NEFSTZIJRVWFRR-UHFFFAOYSA-N -1 3 286.331 3.055 20 0 CGADHM Cc1ccc([O-])c(C(=O)N[C@H](C)c2ccsc2)c1 ZINC000061367952 541884749 /nfs/dbraw/zinc/88/47/49/541884749.db2.gz FNOFRLQSGRASAW-SNVBAGLBSA-N -1 3 261.346 3.253 20 0 CGADHM C[C@H]1CC(NC(=O)NCc2ccc([O-])c(F)c2)C[C@H](C)C1 ZINC000172494524 372977770 /nfs/dbraw/zinc/97/77/70/372977770.db2.gz OLWOGSATSYVPRJ-GHMZBOCLSA-N -1 3 294.370 3.155 20 0 CGADHM Cc1ncc(C[N-]c2nc(C3CC3)no2)n1-c1ccccc1 ZINC000172808597 373038225 /nfs/dbraw/zinc/03/82/25/373038225.db2.gz LEKIFASCSUSBIQ-UHFFFAOYSA-N -1 3 295.346 3.053 20 0 CGADHM [O-]c1ccc(F)c(CN2CCC[C@H](C3CC3)C2)c1F ZINC000353542396 220145735 /nfs/dbraw/zinc/14/57/35/220145735.db2.gz KVMABJSBCBKBHI-NSHDSACASA-N -1 3 267.319 3.292 20 0 CGADHM COc1cc(C(=O)NCCC2CCCCC2)ccc1[O-] ZINC000442853994 373105940 /nfs/dbraw/zinc/10/59/40/373105940.db2.gz IAESGKANTIEVRS-UHFFFAOYSA-N -1 3 277.364 3.101 20 0 CGADHM COc1cc(C(=O)NCC[C@@H]2CCC[C@H](C)C2)ccc1[O-] ZINC000442976807 373137802 /nfs/dbraw/zinc/13/78/02/373137802.db2.gz ULJOZLSADYMHRB-STQMWFEESA-N -1 3 291.391 3.347 20 0 CGADHM C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)c1csc(=O)[n-]1 ZINC000335201158 297346728 /nfs/dbraw/zinc/34/67/28/297346728.db2.gz CKPBIUPRFKBBKG-NXEZZACHSA-N -1 3 282.409 3.136 20 0 CGADHM COc1cccc(C(=O)Nc2cc3[nH]ccc3cc2C)c1[O-] ZINC000444459452 373190629 /nfs/dbraw/zinc/19/06/29/373190629.db2.gz YLNDCPWGPDKWLW-UHFFFAOYSA-N -1 3 296.326 3.443 20 0 CGADHM CCc1ccc([O-])c(C(=O)N[C@@H](C)c2cccc(O)c2)c1 ZINC000444488979 373194052 /nfs/dbraw/zinc/19/40/52/373194052.db2.gz YMCXJDIHWOOQGB-NSHDSACASA-N -1 3 285.343 3.151 20 0 CGADHM COCCN(C(=O)c1ccccc1[O-])[C@H](C)c1ccccc1 ZINC000298345780 373296731 /nfs/dbraw/zinc/29/67/31/373296731.db2.gz KKRYSVKAIZXLNX-CQSZACIVSA-N -1 3 299.370 3.242 20 0 CGADHM CCN(CCc1cccs1)C(=O)c1cccc(C)c1[O-] ZINC000298344030 373297026 /nfs/dbraw/zinc/29/70/26/373297026.db2.gz KBMTZDFFOZLNIM-UHFFFAOYSA-N -1 3 289.400 3.467 20 0 CGADHM CCS[C@H](C(=O)Nc1cc(F)ccc1[O-])C(C)C ZINC000174893342 373376999 /nfs/dbraw/zinc/37/69/99/373376999.db2.gz HFUNNAJCRJRBEG-LBPRGKRZSA-N -1 3 271.357 3.248 20 0 CGADHM Cc1ccc([O-])c(NC(=O)C/C=C\c2ccc(F)cc2)n1 ZINC000447633987 373467053 /nfs/dbraw/zinc/46/70/53/373467053.db2.gz JOCKPIWVKFROEJ-IHWYPQMZSA-N -1 3 286.306 3.277 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N2CCC3(CCCC3)CC2)n1 ZINC000447856074 373510691 /nfs/dbraw/zinc/51/06/91/373510691.db2.gz XOHFDAHDASROAQ-ZDUSSCGKSA-N -1 3 275.396 3.208 20 0 CGADHM O=C(NCC1CCCCC1)c1cc(=O)c2ccccc2[n-]1 ZINC000299446331 373544207 /nfs/dbraw/zinc/54/42/07/373544207.db2.gz MQISQAOLCXLRFB-UHFFFAOYSA-N -1 3 284.359 3.251 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])[C@H]1C[C@H]1C1CC1 ZINC000176042908 373551585 /nfs/dbraw/zinc/55/15/85/373551585.db2.gz YZJGASLJUMMCTP-UWVGGRQHSA-N -1 3 251.713 3.030 20 0 CGADHM COc1cc(Cl)ccc1C(=O)Nc1cc(F)ccc1[O-] ZINC000178327267 373767370 /nfs/dbraw/zinc/76/73/70/373767370.db2.gz RXQAZHWCHMJVQP-UHFFFAOYSA-N -1 3 295.697 3.446 20 0 CGADHM Cc1ccc(-c2cc(C(=O)Nc3ccc(O)c(C)c3)n[n-]2)o1 ZINC000178963504 373820876 /nfs/dbraw/zinc/82/08/76/373820876.db2.gz BQPPERLRHGSPRV-UHFFFAOYSA-N -1 3 297.314 3.244 20 0 CGADHM Cc1ccc(-c2cc(C(=O)Nc3ccc(O)c(C)c3)[n-]n2)o1 ZINC000178963504 373820887 /nfs/dbraw/zinc/82/08/87/373820887.db2.gz BQPPERLRHGSPRV-UHFFFAOYSA-N -1 3 297.314 3.244 20 0 CGADHM CCc1cc(=O)[n-]c(-c2ccc(N3CC[C@@H](C)[C@H]3C)nc2)n1 ZINC000301503418 373781587 /nfs/dbraw/zinc/78/15/87/373781587.db2.gz YLKFKSRXXRVZGZ-VXGBXAGGSA-N -1 3 298.390 3.041 20 0 CGADHM Cc1ccc(OCC(=O)Nc2c(C)cccc2[O-])cc1C ZINC000179551656 373886296 /nfs/dbraw/zinc/88/62/96/373886296.db2.gz WVVXXJQKHXMALD-UHFFFAOYSA-N -1 3 285.343 3.335 20 0 CGADHM COc1ccsc1C(=O)Nc1c(C)cccc1[O-] ZINC000179555880 373886380 /nfs/dbraw/zinc/88/63/80/373886380.db2.gz HGTPZEDPQIRSKS-UHFFFAOYSA-N -1 3 263.318 3.023 20 0 CGADHM Cc1cccc(O[C@@H](C)C(=O)Nc2c(C)cccc2[O-])c1 ZINC000179558961 373888021 /nfs/dbraw/zinc/88/80/21/373888021.db2.gz OIFPWMFILISXSA-ZDUSSCGKSA-N -1 3 285.343 3.415 20 0 CGADHM Cc1ccc(OCCCNC(=O)c2ccc(C)cc2[O-])cc1 ZINC000303093283 374009265 /nfs/dbraw/zinc/00/92/65/374009265.db2.gz DUTIEDSVYFHJAF-UHFFFAOYSA-N -1 3 299.370 3.208 20 0 CGADHM Cc1ccc(C(=O)N2C[C@H](C)[C@@H]3CCCC[C@@H]32)c([O-])c1 ZINC000180531169 374018430 /nfs/dbraw/zinc/01/84/30/374018430.db2.gz HWJFMHYKYAUXKY-YDHLFZDLSA-N -1 3 273.376 3.351 20 0 CGADHM C[C@H]1CCC[C@H](C)C1NC(=O)Cc1ccc([O-])c(F)c1 ZINC000449911453 373968508 /nfs/dbraw/zinc/96/85/08/373968508.db2.gz BFWOABPYBFDBAP-QWRGUYRKSA-N -1 3 279.355 3.015 20 0 CGADHM Cc1ccc(-c2noc([N-]Cc3nccs3)n2)cc1 ZINC000180224993 373978335 /nfs/dbraw/zinc/97/83/35/373978335.db2.gz LHTKMILSOOMNLN-UHFFFAOYSA-N -1 3 272.333 3.114 20 0 CGADHM Cc1ccc([O-])c(C(=O)NC[C@H](C)Oc2ccccc2C)c1 ZINC000303956304 374031122 /nfs/dbraw/zinc/03/11/22/374031122.db2.gz KLNMVXBOBZLUNT-AWEZNQCLSA-N -1 3 299.370 3.206 20 0 CGADHM O=C(Nc1ccc([O-])cc1F)[C@@H]1C[C@@]12CCc1ccccc12 ZINC000180859226 374052899 /nfs/dbraw/zinc/05/28/99/374052899.db2.gz MPMYAKWWOWLNFE-KBXCAEBGSA-N -1 3 297.329 3.374 20 0 CGADHM O=C(Nc1ccc([O-])cc1F)C(=O)c1ccc(Cl)cc1 ZINC000180855410 374052922 /nfs/dbraw/zinc/05/29/22/374052922.db2.gz IGOCVACFOFSKSX-UHFFFAOYSA-N -1 3 293.681 3.006 20 0 CGADHM C[C@H]1CCN(C(=O)Cc2ccc([O-])c(F)c2)CC12CCC2 ZINC000450371743 374087534 /nfs/dbraw/zinc/08/75/34/374087534.db2.gz KAMBEQFQNZZFCY-LBPRGKRZSA-N -1 3 291.366 3.113 20 0 CGADHM O=C(Nc1nnc(-c2ccco2)[n-]1)c1ccc(Cl)s1 ZINC000073973432 541901569 /nfs/dbraw/zinc/90/15/69/541901569.db2.gz XNMMDQPMXJZYIK-UHFFFAOYSA-N -1 3 294.723 3.032 20 0 CGADHM O=C(Nc1nc(-c2ccco2)n[n-]1)c1ccc(Cl)s1 ZINC000073973432 541901571 /nfs/dbraw/zinc/90/15/71/541901571.db2.gz XNMMDQPMXJZYIK-UHFFFAOYSA-N -1 3 294.723 3.032 20 0 CGADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1ccc(Cl)s1 ZINC000073973432 541901576 /nfs/dbraw/zinc/90/15/76/541901576.db2.gz XNMMDQPMXJZYIK-UHFFFAOYSA-N -1 3 294.723 3.032 20 0 CGADHM O=C(CCC1CCCCC1)Nc1nnc(-c2ccco2)[n-]1 ZINC000073973693 541901820 /nfs/dbraw/zinc/90/18/20/541901820.db2.gz DLWBUJBAQXJNPW-UHFFFAOYSA-N -1 3 288.351 3.364 20 0 CGADHM O=C(CCC1CCCCC1)Nc1nc(-c2ccco2)n[n-]1 ZINC000073973693 541901823 /nfs/dbraw/zinc/90/18/23/541901823.db2.gz DLWBUJBAQXJNPW-UHFFFAOYSA-N -1 3 288.351 3.364 20 0 CGADHM O=C(CCC1CCCCC1)Nc1n[n-]c(-c2ccco2)n1 ZINC000073973693 541901828 /nfs/dbraw/zinc/90/18/28/541901828.db2.gz DLWBUJBAQXJNPW-UHFFFAOYSA-N -1 3 288.351 3.364 20 0 CGADHM O=C([O-])CCCCNCc1cc(Cl)ccc1Cl ZINC000310431032 374215875 /nfs/dbraw/zinc/21/58/75/374215875.db2.gz QEZZJZKXAFMAPP-UHFFFAOYSA-N -1 3 276.163 3.338 20 0 CGADHM Cc1ccc([C@@H](C)CNC(=O)c2cccc([O-])c2)cc1 ZINC000182482899 374278468 /nfs/dbraw/zinc/27/84/68/374278468.db2.gz OLDJRKKCJVBGOX-ZDUSSCGKSA-N -1 3 269.344 3.234 20 0 CGADHM CC(=O)c1ccc(C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)cc1[O-] ZINC000334105127 206014223 /nfs/dbraw/zinc/01/42/23/206014223.db2.gz BNINSPNZXFEFMO-JRPNMDOOSA-N -1 3 289.375 3.149 20 0 CGADHM C[C@@H](NC(=O)c1cccc([O-])c1)c1ccc(F)c(F)c1 ZINC000082282687 541927746 /nfs/dbraw/zinc/92/77/46/541927746.db2.gz QAQSKBPHVRSDET-SECBINFHSA-N -1 3 277.270 3.161 20 0 CGADHM COc1ccc(C[C@H](C)CNC(=O)c2cccc([O-])c2)cc1 ZINC000182942155 374348807 /nfs/dbraw/zinc/34/88/07/374348807.db2.gz BHVUUTFCXKBYLY-ZDUSSCGKSA-N -1 3 299.370 3.009 20 0 CGADHM CCc1cc(=O)[n-]c(CN[C@H](C)c2cc(C)sc2C)n1 ZINC000182986111 374352042 /nfs/dbraw/zinc/35/20/42/374352042.db2.gz QMJRZXJIQMRLEG-SNVBAGLBSA-N -1 3 291.420 3.274 20 0 CGADHM O=C(CCOc1ccccc1F)Nc1ccc([O-])cc1F ZINC000183265455 374394207 /nfs/dbraw/zinc/39/42/07/374394207.db2.gz PNCGOAXOOHFMGS-UHFFFAOYSA-N -1 3 293.269 3.078 20 0 CGADHM O=C(COc1ccccc1Cl)Nc1ccc([O-])cc1F ZINC000183238247 374391499 /nfs/dbraw/zinc/39/14/99/374391499.db2.gz SWYSNBCBLIAOPT-UHFFFAOYSA-N -1 3 295.697 3.202 20 0 CGADHM C[C@@H](c1ccc(F)c(F)c1)S(=O)(=O)c1cccc([O-])c1 ZINC000183990006 374479230 /nfs/dbraw/zinc/47/92/30/374479230.db2.gz DRJWQOOXIDJEOE-VIFPVBQESA-N -1 3 298.310 3.205 20 0 CGADHM Cc1nc(-c2cccc(NCc3cc([O-])cc(F)c3)c2)n[nH]1 ZINC000184140239 374496344 /nfs/dbraw/zinc/49/63/44/374496344.db2.gz OTEUKGCQAIUNNW-UHFFFAOYSA-N -1 3 298.321 3.237 20 0 CGADHM O=C(Cc1ccc([O-])cc1Cl)NC12CCC(CC1)CC2 ZINC000456288723 374506188 /nfs/dbraw/zinc/50/61/88/374506188.db2.gz UNMIHFOOCASTGO-UHFFFAOYSA-N -1 3 293.794 3.427 20 0 CGADHM CCC1(C(=O)Nc2ccc(OC)cc2[O-])CCCC1 ZINC000331297159 374520390 /nfs/dbraw/zinc/52/03/90/374520390.db2.gz UJQYWZFLGMEVND-UHFFFAOYSA-N -1 3 263.337 3.310 20 0 CGADHM CC(=O)c1ccc(C(=O)N(C)C[C@@H]2CC=CCC2)cc1[O-] ZINC000331360818 374526564 /nfs/dbraw/zinc/52/65/64/374526564.db2.gz YGYFAIVAUYOQMR-CYBMUJFWSA-N -1 3 287.359 3.023 20 0 CGADHM [O-]c1cc(F)cc(CNCc2cc(F)ccc2F)c1 ZINC000184142704 374497577 /nfs/dbraw/zinc/49/75/77/374497577.db2.gz VVHLBUPMPCGAQH-UHFFFAOYSA-N -1 3 267.250 3.099 20 0 CGADHM Cc1ccc2c(CS[C@@H](C)[C@@H](C)O)ccc([O-])c2n1 ZINC000332729200 374590905 /nfs/dbraw/zinc/59/09/05/374590905.db2.gz QXFQIGAJGHXPKQ-MNOVXSKESA-N -1 3 277.389 3.251 20 0 CGADHM Cc1ccc(NC(=O)C(C)(C)c2cccnc2)c([O-])c1 ZINC000334230074 206223054 /nfs/dbraw/zinc/22/30/54/206223054.db2.gz RFTVXDXHKUJSCS-UHFFFAOYSA-N -1 3 270.332 3.012 20 0 CGADHM CC(C)c1ccc(C(=O)N[C@@H](C)[C@H]2CCCOC2)c([O-])c1 ZINC000334087802 374647441 /nfs/dbraw/zinc/64/74/41/374647441.db2.gz UDHOPCGHVGUTAC-JSGCOSHPSA-N -1 3 291.391 3.061 20 0 CGADHM CC(C)(NCc1cc([O-])cc(F)c1)c1nccs1 ZINC000185540968 374683228 /nfs/dbraw/zinc/68/32/28/374683228.db2.gz FSRWLOLEZRCGLH-UHFFFAOYSA-N -1 3 266.341 3.013 20 0 CGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)[C@H](C)CC(C)C ZINC000185547388 374684473 /nfs/dbraw/zinc/68/44/73/374684473.db2.gz PKOURHZHKOBNGO-SNVBAGLBSA-N -1 3 296.367 3.034 20 0 CGADHM C[C@@H](c1c(F)cccc1F)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000262058317 296224055 /nfs/dbraw/zinc/22/40/55/296224055.db2.gz BGZBSSKHMJUIBJ-XMZIXOGTSA-N -1 3 295.329 3.213 20 0 CGADHM O=C([N-]c1cnoc1)c1cccc(C(F)(F)F)c1F ZINC000094351227 541986860 /nfs/dbraw/zinc/98/68/60/541986860.db2.gz MWOVHILCXSMANE-UHFFFAOYSA-N -1 3 274.173 3.085 20 0 CGADHM CSCc1nc(=O)c2cc(C(F)(F)F)sc2[n-]1 ZINC000334600314 374896017 /nfs/dbraw/zinc/89/60/17/374896017.db2.gz YXFPNKNFWXZXHK-UHFFFAOYSA-N -1 3 280.296 3.279 20 0 CGADHM COc1cccc2c1[C@H](C(=O)Nc1ccccc1[O-])CC2 ZINC000334637994 374930174 /nfs/dbraw/zinc/93/01/74/374930174.db2.gz RFKALVYBIPATNV-GFCCVEGCSA-N -1 3 283.327 3.069 20 0 CGADHM O=C(c1csc(=O)[n-]1)N1CCC[C@@H]1CCC1CCCC1 ZINC000472347673 375021339 /nfs/dbraw/zinc/02/13/39/375021339.db2.gz IULIZRNBWKXJHR-GFCCVEGCSA-N -1 3 294.420 3.424 20 0 CGADHM CCCC[C@@H](CC)CC(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000473848193 375063786 /nfs/dbraw/zinc/06/37/86/375063786.db2.gz PYRHRBLQUKCQNW-OCCSQVGLSA-N -1 3 293.411 3.228 20 0 CGADHM O=C(Nc1ccccc1O)c1cc([O-])ccc1Cl ZINC000335231575 375249008 /nfs/dbraw/zinc/24/90/08/375249008.db2.gz SKEOCRVSHKFGLB-UHFFFAOYSA-N -1 3 263.680 3.004 20 0 CGADHM C[C@H](NC(=O)c1ccc(O)cc1[O-])c1cc2ccccc2o1 ZINC000188273180 375188305 /nfs/dbraw/zinc/18/83/05/375188305.db2.gz GUCQMAOBCYMGDG-JTQLQIEISA-N -1 3 297.310 3.335 20 0 CGADHM C[C@@H](c1ccc(Cl)cc1)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000263361497 296227204 /nfs/dbraw/zinc/22/72/04/296227204.db2.gz SAGOAFUJJZJALB-NTZNESFSSA-N -1 3 281.783 3.444 20 0 CGADHM Cc1cc(Cl)cc(CN2CC[C@H](C)[C@@H](C(=O)[O-])C2)c1 ZINC000335442087 375296758 /nfs/dbraw/zinc/29/67/58/375296758.db2.gz HVMSBWZYFBNSCD-FZMZJTMJSA-N -1 3 281.783 3.191 20 0 CGADHM Cc1cc(CN2CC[C@@H](C)[C@H](C(=O)[O-])C2)ccc1Cl ZINC000335444713 375299771 /nfs/dbraw/zinc/29/97/71/375299771.db2.gz SFCJIJMKAIDOTJ-ZWNOBZJWSA-N -1 3 281.783 3.191 20 0 CGADHM O=C(Nc1ccc([O-])cc1F)[C@H]1CCC(=O)c2ccccc21 ZINC000335827253 375463271 /nfs/dbraw/zinc/46/32/71/375463271.db2.gz FNJVWBNRGMGSMP-ZDUSSCGKSA-N -1 3 299.301 3.230 20 0 CGADHM O=C(Nc1ccc(Cl)cc1[O-])[C@H]1CCC(F)(F)C1 ZINC000335780569 375424391 /nfs/dbraw/zinc/42/43/91/375424391.db2.gz YOMCLFCFZVCEGE-ZETCQYMHSA-N -1 3 275.682 3.420 20 0 CGADHM CC[C@@H](C)CC(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000190120420 375479652 /nfs/dbraw/zinc/47/96/52/375479652.db2.gz PYCDBKDXKSDONT-LLVKDONJSA-N -1 3 299.374 3.120 20 0 CGADHM CCCCOc1ccc(C(=O)N2CCC(C)(C)C2)c([O-])c1 ZINC000190525385 375519185 /nfs/dbraw/zinc/51/91/85/375519185.db2.gz GXVCAJWDBQDDJJ-UHFFFAOYSA-N -1 3 291.391 3.443 20 0 CGADHM CCc1ccc(C(=O)N2CCC[C@@H](C)CC2)c([O-])c1 ZINC000190572012 375521706 /nfs/dbraw/zinc/52/17/06/375521706.db2.gz VMALYCLKVHHDAM-GFCCVEGCSA-N -1 3 261.365 3.217 20 0 CGADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1cc(F)c[nH]1 ZINC000335903059 375528076 /nfs/dbraw/zinc/52/80/76/375528076.db2.gz AYYGWQLJHXJDCO-UHFFFAOYSA-N -1 3 288.200 3.131 20 0 CGADHM CC(C)Sc1ccccc1[N-]C(=O)c1cocn1 ZINC000122062583 542022590 /nfs/dbraw/zinc/02/25/90/542022590.db2.gz QKUIORYGFMKNDJ-UHFFFAOYSA-N -1 3 262.334 3.427 20 0 CGADHM [O-]c1cc(F)cc(CNCc2ccc3ncccc3c2)c1 ZINC000192982940 375811565 /nfs/dbraw/zinc/81/15/65/375811565.db2.gz QZIKPYHGAYKZDJ-UHFFFAOYSA-N -1 3 282.318 3.369 20 0 CGADHM CCc1nc(C)c(C(=O)[N-]c2cc(F)cc(F)c2F)o1 ZINC000336536747 375815756 /nfs/dbraw/zinc/81/57/56/375815756.db2.gz VGSDSRFZTYJPKN-UHFFFAOYSA-N -1 3 284.237 3.215 20 0 CGADHM COc1cc(SC)ccc1NC(=O)c1cccc([O-])c1 ZINC000193259877 375849650 /nfs/dbraw/zinc/84/96/50/375849650.db2.gz IWEVCDUEIKEPLP-UHFFFAOYSA-N -1 3 289.356 3.375 20 0 CGADHM C[C@H](CC(=O)Nc1cccc([O-])c1F)c1cccnc1 ZINC000534945817 376006926 /nfs/dbraw/zinc/00/69/26/376006926.db2.gz NUUPQCUALQHHIC-SNVBAGLBSA-N -1 3 274.295 3.059 20 0 CGADHM [O-]c1cccc(CNCC[C@H]2CCCCO2)c1Cl ZINC000336892235 376021197 /nfs/dbraw/zinc/02/11/97/376021197.db2.gz JNTLGVJCPGYNJQ-GFCCVEGCSA-N -1 3 269.772 3.094 20 0 CGADHM C[C@@H]1c2c(F)cccc2CCN1C(=O)c1ccccc1[O-] ZINC000537387664 376166051 /nfs/dbraw/zinc/16/60/51/376166051.db2.gz ARKARIGQENZKMG-LLVKDONJSA-N -1 3 285.318 3.291 20 0 CGADHM C[C@H](c1cccc(Cl)c1)N1CCC[C@@H](C(=O)[O-])C1 ZINC000226396408 376358090 /nfs/dbraw/zinc/35/80/90/376358090.db2.gz RAFDHTTTXDGVCA-ZYHUDNBSSA-N -1 3 267.756 3.198 20 0 CGADHM COc1cc(C(=O)N(C)Cc2sccc2C)ccc1[O-] ZINC000338753412 376516133 /nfs/dbraw/zinc/51/61/33/376516133.db2.gz VZIKVJRYVQXFSD-UHFFFAOYSA-N -1 3 291.372 3.043 20 0 CGADHM O=C([N-]c1cccc(F)c1F)c1cc(C2CC2)no1 ZINC000334301160 206332885 /nfs/dbraw/zinc/33/28/85/206332885.db2.gz WSTMMTNCUZXDRM-UHFFFAOYSA-N -1 3 264.231 3.083 20 0 CGADHM CC[C@@H](C)CN(C)C(=O)c1cc([O-])ccc1Cl ZINC000233823223 376602696 /nfs/dbraw/zinc/60/26/96/376602696.db2.gz JZWWBHSGTDJGKT-SECBINFHSA-N -1 3 255.745 3.164 20 0 CGADHM CC[C@@H](C)[C@@H](C)NC(=O)c1cc([O-])ccc1Cl ZINC000233850569 376605075 /nfs/dbraw/zinc/60/50/75/376605075.db2.gz NDHXMDVDUXTSLM-RKDXNWHRSA-N -1 3 255.745 3.210 20 0 CGADHM CC(C)C1CCN(Cc2ccc(C(=O)[O-])s2)CC1 ZINC000232541064 376581980 /nfs/dbraw/zinc/58/19/80/376581980.db2.gz KPSILYWSADDLIG-UHFFFAOYSA-N -1 3 267.394 3.314 20 0 CGADHM CC(C)CCCNC(=O)c1cc([O-])ccc1Cl ZINC000232542328 376582348 /nfs/dbraw/zinc/58/23/48/376582348.db2.gz VGIKBWYYXSGWMG-UHFFFAOYSA-N -1 3 255.745 3.212 20 0 CGADHM CS[C@H]1CCC[C@H](NC(=O)c2cc([O-])ccc2Cl)C1 ZINC000235201819 376634283 /nfs/dbraw/zinc/63/42/83/376634283.db2.gz WUNHPYGDIFERDS-ONGXEEELSA-N -1 3 299.823 3.450 20 0 CGADHM C[C@H]([N-]C(=O)C(F)F)c1ccc(C(F)(F)F)cc1 ZINC000235524595 376643739 /nfs/dbraw/zinc/64/37/39/376643739.db2.gz WUSGUPMEIJBLAJ-LURJTMIESA-N -1 3 267.197 3.148 20 0 CGADHM CN(C(=O)c1ccc(O)cc1[O-])[C@@H]1CCCc2ccccc21 ZINC000543747276 376673172 /nfs/dbraw/zinc/67/31/72/376673172.db2.gz KEPMADRLURJSRG-MRXNPFEDSA-N -1 3 297.354 3.247 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2ccc(Br)s2)n1 ZINC000339115015 376687145 /nfs/dbraw/zinc/68/71/45/376687145.db2.gz JJDMOKHZXRCORE-HWKANZROSA-N -1 3 297.177 3.485 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2ccccc2OC(F)F)n1 ZINC000339116138 376689658 /nfs/dbraw/zinc/68/96/58/376689658.db2.gz YUEBMBNMKMEIGS-VOTSOKGWSA-N -1 3 278.258 3.262 20 0 CGADHM CN(CCc1ccccc1C(=O)[O-])Cc1ccsc1 ZINC000158936097 542146589 /nfs/dbraw/zinc/14/65/89/542146589.db2.gz GMVKYSHETQKQSO-UHFFFAOYSA-N -1 3 275.373 3.121 20 0 CGADHM CCCOc1ccccc1[N-]S(=O)(=O)CCC1CC1 ZINC000339962964 376882398 /nfs/dbraw/zinc/88/23/98/376882398.db2.gz PINWNYVYJUHDRF-UHFFFAOYSA-N -1 3 283.393 3.017 20 0 CGADHM Cc1ccccc1NCCC(=O)Nc1ccccc1[O-] ZINC000340100655 376916924 /nfs/dbraw/zinc/91/69/24/376916924.db2.gz RAWIWNXJIOIKRO-UHFFFAOYSA-N -1 3 270.332 3.141 20 0 CGADHM CCC1(C(=O)N=c2cc3ccccn3[n-]2)CCCCC1 ZINC000557537127 376941589 /nfs/dbraw/zinc/94/15/89/376941589.db2.gz LYAJENGFPCDPRY-UHFFFAOYSA-N -1 3 271.364 3.055 20 0 CGADHM CCc1cc(C(=O)N[C@H]2CC(C)(C)OC2(C)C)ccc1[O-] ZINC000557670291 376950178 /nfs/dbraw/zinc/95/01/78/376950178.db2.gz VIPXMUQONUXKEX-AWEZNQCLSA-N -1 3 291.391 3.031 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])[C@@H]1Cc2ccccc21 ZINC000340234446 376956559 /nfs/dbraw/zinc/95/65/59/376956559.db2.gz INKNUGZUEPYZQW-GFCCVEGCSA-N -1 3 273.719 3.324 20 0 CGADHM CSc1nnc(NC(=O)C[C@H]2C[C@@H](C)CC(C)(C)C2)[n-]1 ZINC000340263360 376970766 /nfs/dbraw/zinc/97/07/66/376970766.db2.gz PGDYIAXJKJPHQG-NXEZZACHSA-N -1 3 296.440 3.318 20 0 CGADHM CSc1n[n-]c(NC(=O)C[C@H]2C[C@@H](C)CC(C)(C)C2)n1 ZINC000340263360 376970780 /nfs/dbraw/zinc/97/07/80/376970780.db2.gz PGDYIAXJKJPHQG-NXEZZACHSA-N -1 3 296.440 3.318 20 0 CGADHM CSc1nc(NC(=O)C[C@H]2C[C@@H](C)CC(C)(C)C2)n[n-]1 ZINC000340263360 376970790 /nfs/dbraw/zinc/97/07/90/376970790.db2.gz PGDYIAXJKJPHQG-NXEZZACHSA-N -1 3 296.440 3.318 20 0 CGADHM O=C([O-])CCNCc1ccc(-c2ccccc2)cc1F ZINC000340699195 377224635 /nfs/dbraw/zinc/22/46/35/377224635.db2.gz RJKQYKYAAKKLCR-UHFFFAOYSA-N -1 3 273.307 3.057 20 0 CGADHM Cc1oc(CN(C)CCCC(C)C)cc1C(=O)[O-] ZINC000563281572 377435033 /nfs/dbraw/zinc/43/50/33/377435033.db2.gz CSBFOBFMSUCJTR-UHFFFAOYSA-N -1 3 253.342 3.154 20 0 CGADHM CCCOc1ccccc1NC(=O)c1cccc([O-])c1 ZINC000084831118 249012702 /nfs/dbraw/zinc/01/27/02/249012702.db2.gz MQFYYDIHEODLSJ-UHFFFAOYSA-N -1 3 271.316 3.433 20 0 CGADHM Cc1cccc(C(=O)N2CCc3cc(F)ccc3C2)c1[O-] ZINC000092095394 249031701 /nfs/dbraw/zinc/03/17/01/249031701.db2.gz BYCTZIJWKZAFMV-UHFFFAOYSA-N -1 3 285.318 3.038 20 0 CGADHM Cc1ccc(NC(=O)c2cccc([C@@H]3CCOC3)c2)c([O-])c1 ZINC000270445175 249062099 /nfs/dbraw/zinc/06/20/99/249062099.db2.gz BCBUYSZIIYTPSK-OAHLLOKOSA-N -1 3 297.354 3.457 20 0 CGADHM O=C([O-])CCCCNCc1cc(Cl)sc1Cl ZINC000312666837 249081769 /nfs/dbraw/zinc/08/17/69/249081769.db2.gz GEGOFWCYAQQEOP-UHFFFAOYSA-N -1 3 282.192 3.399 20 0 CGADHM CCOC[C@@H]1CCCCN1Cc1cccc([O-])c1Cl ZINC000313471154 249091897 /nfs/dbraw/zinc/09/18/97/249091897.db2.gz PUHIALKDSBVGEN-ZDUSSCGKSA-N -1 3 283.799 3.437 20 0 CGADHM C[C@H](CCC1CCCCC1)NC(=O)Cc1cncc([O-])c1 ZINC000573696927 377565166 /nfs/dbraw/zinc/56/51/66/377565166.db2.gz MVJJBKMJKOYEIP-CYBMUJFWSA-N -1 3 290.407 3.195 20 0 CGADHM CO[C@H]1CCN(Cc2cc(C(=O)[O-])sc2C)CC1(C)C ZINC000515074037 249200682 /nfs/dbraw/zinc/20/06/82/249200682.db2.gz MURFOVSQCOYINO-ZDUSSCGKSA-N -1 3 297.420 3.002 20 0 CGADHM CC(=O)c1ccc(C(=O)NCCCC(C)(C)C)cc1[O-] ZINC000573900997 377590311 /nfs/dbraw/zinc/59/03/11/377590311.db2.gz WGZJQIVKLJAKKZ-UHFFFAOYSA-N -1 3 277.364 3.151 20 0 CGADHM COc1cc(Cl)ccc1CN(C[C@@H](C)C(=O)[O-])C1CC1 ZINC000518387194 249280068 /nfs/dbraw/zinc/28/00/68/249280068.db2.gz ZRPXNTVLUHOOSF-SNVBAGLBSA-N -1 3 297.782 3.034 20 0 CGADHM CCO[C@@H]1C[C@H]([N@H+](C)Cc2ncccc2[O-])C1(CC)CC ZINC000516962761 249251256 /nfs/dbraw/zinc/25/12/56/249251256.db2.gz GRSJENVPXJAVMW-JKSUJKDBSA-N -1 3 292.423 3.203 20 0 CGADHM CCO[C@@H]1C[C@H](N(C)Cc2ncccc2[O-])C1(CC)CC ZINC000516962761 249251261 /nfs/dbraw/zinc/25/12/61/249251261.db2.gz GRSJENVPXJAVMW-JKSUJKDBSA-N -1 3 292.423 3.203 20 0 CGADHM C[C@H](CN(Cc1ccc(Cl)cc1F)C1CC1)C(=O)[O-] ZINC000517035315 249254786 /nfs/dbraw/zinc/25/47/86/249254786.db2.gz FOLVGKAARWDRIQ-SECBINFHSA-N -1 3 285.746 3.164 20 0 CGADHM COc1ccc([O-])c(C(=O)N[C@H]2CCc3c2cccc3C)c1 ZINC000517878328 249272695 /nfs/dbraw/zinc/27/26/95/249272695.db2.gz NWECKONHBUKKRJ-INIZCTEOSA-N -1 3 297.354 3.127 20 0 CGADHM O=C([O-])c1cccc2c1CCN(CCc1ccccc1F)C2 ZINC000574100965 377620897 /nfs/dbraw/zinc/62/08/97/377620897.db2.gz BKGCKXQLFIYWMG-UHFFFAOYSA-N -1 3 299.345 3.125 20 0 CGADHM O=C([O-])c1cnccc1N1CCC[C@@H](c2ccccc2)C1 ZINC000574813898 377712788 /nfs/dbraw/zinc/71/27/88/377712788.db2.gz QDQGMQZQFOVKCU-CQSZACIVSA-N -1 3 282.343 3.164 20 0 CGADHM Cc1cccc(NC(=O)/C=C\c2cncc([O-])c2)c1C ZINC000255422523 377758716 /nfs/dbraw/zinc/75/87/16/377758716.db2.gz PIQZKJMJHZZVER-SREVYHEPSA-N -1 3 268.316 3.056 20 0 CGADHM CCCc1ccc2nccc(N[C@@H](C)C(=O)[O-])c2c1 ZINC000263393952 377930699 /nfs/dbraw/zinc/93/06/99/377930699.db2.gz HCDCKPVWJXTCLK-JTQLQIEISA-N -1 3 258.321 3.072 20 0 CGADHM O=C([O-])c1ccc(CN2CC(C3CCCC3)C2)cc1 ZINC000263423750 377935052 /nfs/dbraw/zinc/93/50/52/377935052.db2.gz PTVRJWSDDZUGKS-UHFFFAOYSA-N -1 3 259.349 3.007 20 0 CGADHM CC(C)C[C@H](CNCc1ccc(Cl)cc1F)C(=O)[O-] ZINC000263463940 377939526 /nfs/dbraw/zinc/93/95/26/377939526.db2.gz FOFFMTPCTPIVTO-LLVKDONJSA-N -1 3 287.762 3.316 20 0 CGADHM Cc1cccc(C(=O)N2CCC[C@@H]2C(C)(C)C)c1[O-] ZINC000264232499 377966708 /nfs/dbraw/zinc/96/67/08/377966708.db2.gz BYMHUIOUDJRLDB-CYBMUJFWSA-N -1 3 261.365 3.351 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CC[C@H](c3ccccc3F)C2)c1 ZINC000264455325 377986657 /nfs/dbraw/zinc/98/66/57/377986657.db2.gz PHYXXENOKJXXOO-ZDUSSCGKSA-N -1 3 299.345 3.469 20 0 CGADHM Cc1occc1CN(C)CC[C@H](C(=O)[O-])c1ccccc1 ZINC000578368511 378061413 /nfs/dbraw/zinc/06/14/13/378061413.db2.gz UHUXCSHOOXKGSS-INIZCTEOSA-N -1 3 287.359 3.278 20 0 CGADHM CO[C@H]1CCC[C@@H](C(=O)Nc2cc(Cl)cc(C)c2[O-])C1 ZINC000343928369 378135908 /nfs/dbraw/zinc/13/59/08/378135908.db2.gz MECXFWWWEWNUAY-PWSUYJOCSA-N -1 3 297.782 3.498 20 0 CGADHM COc1ccc(Cl)c(CN(C)[C@@H](CC(C)C)C(=O)[O-])c1 ZINC000578874931 378108430 /nfs/dbraw/zinc/10/84/30/378108430.db2.gz IEOJWWKREBNFHO-AWEZNQCLSA-N -1 3 299.798 3.280 20 0 CGADHM CC(C)OCCC(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000345140367 378202669 /nfs/dbraw/zinc/20/26/69/378202669.db2.gz RNLQKMJMMHTGAM-LBPRGKRZSA-N -1 3 277.364 3.048 20 0 CGADHM C[C@H]1CCCC[C@@H]1c1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000579965807 378213225 /nfs/dbraw/zinc/21/32/25/378213225.db2.gz RSJAGIBTLWRXPN-ONGXEEELSA-N -1 3 283.335 3.302 20 0 CGADHM C[C@@H](C(=O)[O-])N(Cc1cc(Cl)ccc1F)C1CCC1 ZINC000582192847 378293243 /nfs/dbraw/zinc/29/32/43/378293243.db2.gz VUBAWPMPNABSCY-VIFPVBQESA-N -1 3 285.746 3.307 20 0 CGADHM CC[C@@H]1CCCC[C@H]1OCC(=O)Nc1ccc([O-])cc1F ZINC000345422826 378281003 /nfs/dbraw/zinc/28/10/03/378281003.db2.gz YSTWCJNMVOJIIF-IAQYHMDHSA-N -1 3 295.354 3.455 20 0 CGADHM Cc1oc([C@H](C)N2CCCO[C@H](C(C)C)C2)cc1C(=O)[O-] ZINC000580330331 378241056 /nfs/dbraw/zinc/24/10/56/378241056.db2.gz GPWGFCAGHQMQSG-NHYWBVRUSA-N -1 3 295.379 3.094 20 0 CGADHM CSc1nnc(NC(=O)CC[C@@H](C)c2ccccc2)[n-]1 ZINC000269725928 378259627 /nfs/dbraw/zinc/25/96/27/378259627.db2.gz WCRRHTCHIOGLEC-SNVBAGLBSA-N -1 3 290.392 3.049 20 0 CGADHM CSc1n[n-]c(NC(=O)CC[C@@H](C)c2ccccc2)n1 ZINC000269725928 378259629 /nfs/dbraw/zinc/25/96/29/378259629.db2.gz WCRRHTCHIOGLEC-SNVBAGLBSA-N -1 3 290.392 3.049 20 0 CGADHM CSc1nc(NC(=O)CC[C@@H](C)c2ccccc2)n[n-]1 ZINC000269725928 378259634 /nfs/dbraw/zinc/25/96/34/378259634.db2.gz WCRRHTCHIOGLEC-SNVBAGLBSA-N -1 3 290.392 3.049 20 0 CGADHM COc1ccc(NC(=O)C2(C(F)F)CCCC2)c([O-])c1 ZINC000582276804 378299675 /nfs/dbraw/zinc/29/96/75/378299675.db2.gz MHSZPEKUNQHSDA-UHFFFAOYSA-N -1 3 285.290 3.165 20 0 CGADHM Cc1ccc([O-])c(NC(=O)[C@H](C)c2cccc(Cl)c2)n1 ZINC000345940374 378415992 /nfs/dbraw/zinc/41/59/92/378415992.db2.gz NHKPITAATISARG-SNVBAGLBSA-N -1 3 290.750 3.491 20 0 CGADHM Cc1ccc([O-])c(NC(=O)C[C@@H](C)C(C)(C)C)n1 ZINC000345919377 378408379 /nfs/dbraw/zinc/40/83/79/378408379.db2.gz BMJRPVBXOJYSFK-SECBINFHSA-N -1 3 250.342 3.106 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2cc(F)c(Cl)cc2F)n1 ZINC000345931627 378412384 /nfs/dbraw/zinc/41/23/84/378412384.db2.gz QPFSJLNEWUHWNK-UHFFFAOYSA-N -1 3 298.676 3.280 20 0 CGADHM Cc1cccc(C(=O)N[C@@H]2CCO[C@H](C(C)(C)C)C2)c1[O-] ZINC000270710442 378392181 /nfs/dbraw/zinc/39/21/81/378392181.db2.gz BPMFZTLOSVMNCU-OCCSQVGLSA-N -1 3 291.391 3.024 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2coc3ccccc23)n1 ZINC000346004228 378436603 /nfs/dbraw/zinc/43/66/03/378436603.db2.gz XVDXQXCRVVTRNI-UHFFFAOYSA-N -1 3 268.272 3.094 20 0 CGADHM CCN(Cc1cccs1)Cc1nc(C)ccc1[O-] ZINC000271046176 378438262 /nfs/dbraw/zinc/43/82/62/378438262.db2.gz RCGQHTIUXBVEEA-UHFFFAOYSA-N -1 3 262.378 3.179 20 0 CGADHM O=C(c1cccc([O-])c1)N1CCC[C@H]1c1ccsc1 ZINC000272531061 378660404 /nfs/dbraw/zinc/66/04/04/378660404.db2.gz AOVIUAHALRGXEK-AWEZNQCLSA-N -1 3 273.357 3.431 20 0 CGADHM Cc1cc(C(=O)N[C@H](C)c2ccsc2)ccc1[O-] ZINC000232385649 572408395 /nfs/dbraw/zinc/40/83/95/572408395.db2.gz QJRJOVNTOLDBGA-SNVBAGLBSA-N -1 3 261.346 3.253 20 0 CGADHM C[C@H]1CCN(C(=O)CC[C@H]2CCCO2)c2c([O-])cccc21 ZINC000274337006 378813291 /nfs/dbraw/zinc/81/32/91/378813291.db2.gz CLILJYUBTGDXTM-QWHCGFSZSA-N -1 3 289.375 3.192 20 0 CGADHM CC(C)c1ccc(C(=O)NOCCC(F)(F)F)c([O-])c1 ZINC000275220306 378950633 /nfs/dbraw/zinc/95/06/33/378950633.db2.gz NGUCKGQESOGHCO-UHFFFAOYSA-N -1 3 291.269 3.129 20 0 CGADHM CC(C)c1ccccc1NC(=O)NCc1ncccc1[O-] ZINC000348444998 378956910 /nfs/dbraw/zinc/95/69/10/378956910.db2.gz CSWRSUWJTCUTPQ-UHFFFAOYSA-N -1 3 285.347 3.232 20 0 CGADHM CCc1cccc(C(=O)N(C)[C@@H]2CC[C@@H](C)C2)c1[O-] ZINC000567308696 322158164 /nfs/dbraw/zinc/15/81/64/322158164.db2.gz REDSPHQKOUHTSA-DGCLKSJQSA-N -1 3 261.365 3.215 20 0 CGADHM Cc1cccc([O-])c1NC(=O)[C@@H]1C[C@H]1c1ccco1 ZINC000370339299 379009023 /nfs/dbraw/zinc/00/90/23/379009023.db2.gz HELQEVLMSLMYPY-GHMZBOCLSA-N -1 3 257.289 3.036 20 0 CGADHM CC(C)c1cnc(NC([O-])=NOC2CCCC2)s1 ZINC000276902215 379018518 /nfs/dbraw/zinc/01/85/18/379018518.db2.gz ANVSHVVDABARIU-UHFFFAOYSA-N -1 3 269.370 3.262 20 0 CGADHM CC(C)c1cnc(NC(=O)[N-]OC2CCCC2)s1 ZINC000276902215 379018523 /nfs/dbraw/zinc/01/85/23/379018523.db2.gz ANVSHVVDABARIU-UHFFFAOYSA-N -1 3 269.370 3.262 20 0 CGADHM C[C@@H]1CC(NC(=O)Cc2ccc([O-])c(F)c2)C[C@@H](C)C1 ZINC000449918594 296287542 /nfs/dbraw/zinc/28/75/42/296287542.db2.gz ZWLXEFVMNNLCBC-QWRGUYRKSA-N -1 3 279.355 3.015 20 0 CGADHM COCCC1(CNCc2cc(C(=O)[O-])co2)CCCCC1 ZINC000277028984 379047321 /nfs/dbraw/zinc/04/73/21/379047321.db2.gz PKPCEJFXZVCEJC-UHFFFAOYSA-N -1 3 295.379 3.054 20 0 CGADHM COc1cc(C(=O)N[C@@H]2CCC[C@@H](C)CC2)ccc1[O-] ZINC000277029065 379050279 /nfs/dbraw/zinc/05/02/79/379050279.db2.gz DMRKNXCDCILKKY-DGCLKSJQSA-N -1 3 277.364 3.099 20 0 CGADHM [O-]c1cc(F)cc(CNCc2ccc3c(n2)CCCC3)c1 ZINC000277681434 379216107 /nfs/dbraw/zinc/21/61/07/379216107.db2.gz JHLLYTJXYPXKQI-UHFFFAOYSA-N -1 3 286.350 3.095 20 0 CGADHM Cc1ocnc1-c1noc(-c2ccc3c(c2[O-])CCCC3)n1 ZINC000277852557 379250631 /nfs/dbraw/zinc/25/06/31/379250631.db2.gz BOIYSDAUGMGXJP-UHFFFAOYSA-N -1 3 297.314 3.284 20 0 CGADHM COc1cc(-c2noc([C@@H]3CCC(C)(C)O3)n2)ccc1[O-] ZINC000278988139 194242574 /nfs/dbraw/zinc/24/25/74/194242574.db2.gz KSBRKQXXJJLYPU-NSHDSACASA-N -1 3 290.319 3.081 20 0 CGADHM Cc1noc(C(C)C)c1C(=O)Nc1ccc([O-])cc1F ZINC000334584102 206755029 /nfs/dbraw/zinc/75/50/29/206755029.db2.gz QZBOGFWPUCHSCX-UHFFFAOYSA-N -1 3 278.283 3.203 20 0 CGADHM CO[C@H]1CCCN(C(=O)c2cc([O-])c3ccccc3c2)CC1 ZINC000376830952 379607548 /nfs/dbraw/zinc/60/75/48/379607548.db2.gz FYRIVXAIABPOBI-HNNXBMFYSA-N -1 3 299.370 3.187 20 0 CGADHM Cc1ccc(-c2cc(C(=O)Nc3ccn(C(C)C)n3)n[n-]2)o1 ZINC000280248310 379655723 /nfs/dbraw/zinc/65/57/23/379655723.db2.gz OGVUAIITBSKOKG-UHFFFAOYSA-N -1 3 299.334 3.008 20 0 CGADHM Cc1ccc(-c2cc(C(=O)Nc3ccn(C(C)C)n3)[n-]n2)o1 ZINC000280248310 379655728 /nfs/dbraw/zinc/65/57/28/379655728.db2.gz OGVUAIITBSKOKG-UHFFFAOYSA-N -1 3 299.334 3.008 20 0 CGADHM CCCc1csc(NC(=O)c2cc(C(F)F)[n-]n2)n1 ZINC000640051140 379700581 /nfs/dbraw/zinc/70/05/81/379700581.db2.gz IYPUJRUKXHXXDN-UHFFFAOYSA-N -1 3 286.307 3.009 20 0 CGADHM CC(C)([N-]C(=O)C(F)F)c1cccc(Cl)c1F ZINC000280334898 379682234 /nfs/dbraw/zinc/68/22/34/379682234.db2.gz SVFNIYYXJZTYTK-UHFFFAOYSA-N -1 3 265.662 3.096 20 0 CGADHM CC[C@H](C)CN(CC)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000267295716 190319482 /nfs/dbraw/zinc/31/94/82/190319482.db2.gz KGFLXGLISIGXBV-LBPRGKRZSA-N -1 3 286.375 3.449 20 0 CGADHM C[C@@H]1CCC[C@H]1NC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000280500143 379718259 /nfs/dbraw/zinc/71/82/59/379718259.db2.gz KWLMDZFFXRHCEH-PRHODGIISA-N -1 3 287.281 3.329 20 0 CGADHM CC1(C)CCC[C@@H]1NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000267399349 190327351 /nfs/dbraw/zinc/32/73/51/190327351.db2.gz MMBQNCJVCBSBAX-HNNXBMFYSA-N -1 3 284.359 3.249 20 0 CGADHM CCc1ccc(NC(=O)c2cc(C(F)F)[n-]n2)cc1OC ZINC000640387828 379783191 /nfs/dbraw/zinc/78/31/91/379783191.db2.gz OYTOOKMDGGPOSP-UHFFFAOYSA-N -1 3 295.289 3.171 20 0 CGADHM Cc1cccc(C(=O)N2CC=C(c3ccccc3)C2)c1[O-] ZINC000378600416 379843302 /nfs/dbraw/zinc/84/33/02/379843302.db2.gz QMXZAAYCMYBTST-UHFFFAOYSA-N -1 3 279.339 3.240 20 0 CGADHM Cc1ccc(C(=O)N2CC(C)(C)[C@H]3CCC[C@H]32)c([O-])c1 ZINC000378845103 379860298 /nfs/dbraw/zinc/86/02/98/379860298.db2.gz RFLPSZZKSBUZFC-UONOGXRCSA-N -1 3 273.376 3.351 20 0 CGADHM [O-]c1ccc(F)c(CNCc2ccc(Cl)cn2)c1F ZINC000352739832 379932259 /nfs/dbraw/zinc/93/22/59/379932259.db2.gz QUXFITFLETZJPF-UHFFFAOYSA-N -1 3 284.693 3.009 20 0 CGADHM O=C(CCC1CCCCC1)N=c1cc(-c2cccnc2)[n-][nH]1 ZINC000352749515 379939052 /nfs/dbraw/zinc/93/90/52/379939052.db2.gz RBXFTRHRRSPXRK-UHFFFAOYSA-N -1 3 298.390 3.193 20 0 CGADHM CC[C@@H]1C[C@@H](C)CN1C(=O)c1cc([O-])ccc1Cl ZINC000399714226 379943467 /nfs/dbraw/zinc/94/34/67/379943467.db2.gz ZHULQBVPUQZCCE-NXEZZACHSA-N -1 3 267.756 3.306 20 0 CGADHM COCC1(C)CCN(Cc2cccc([O-])c2Cl)CC1 ZINC000352840779 379997362 /nfs/dbraw/zinc/99/73/62/379997362.db2.gz XLSYHZCFWMRYFO-UHFFFAOYSA-N -1 3 283.799 3.294 20 0 CGADHM [O-]c1cccc(CN2CCC[C@H](OCC3CC3)C2)c1Cl ZINC000352976201 380062724 /nfs/dbraw/zinc/06/27/24/380062724.db2.gz YQVPVJPTPWISLN-AWEZNQCLSA-N -1 3 295.810 3.437 20 0 CGADHM CCc1c(C(=O)Nc2cc(Cl)ccc2[O-])ccn1C ZINC000352921822 380039036 /nfs/dbraw/zinc/03/90/36/380039036.db2.gz LRNDPSWYPIRZMN-UHFFFAOYSA-N -1 3 278.739 3.199 20 0 CGADHM CC(C)(C)C[C@H](CC(=O)[O-])NCc1c(F)cccc1F ZINC000283770251 380089122 /nfs/dbraw/zinc/08/91/22/380089122.db2.gz BWOXZQPFEGIJCE-JTQLQIEISA-N -1 3 285.334 3.334 20 0 CGADHM Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc[nH]n2)c([O-])c1C ZINC000286153508 380167111 /nfs/dbraw/zinc/16/71/11/380167111.db2.gz YMLOJXLSCGTNJT-OAHLLOKOSA-N -1 3 299.374 3.100 20 0 CGADHM CCc1ccc(C(=O)N2CCCC[C@@H]2c2cc[nH]n2)c([O-])c1 ZINC000286148792 380167409 /nfs/dbraw/zinc/16/74/09/380167409.db2.gz XZXCMUZBPWSGGH-OAHLLOKOSA-N -1 3 299.374 3.045 20 0 CGADHM O=C([O-])c1cc(CN2CCS[C@@H]3CCCC[C@H]32)cs1 ZINC000514943312 304224058 /nfs/dbraw/zinc/22/40/58/304224058.db2.gz ARYNZUDUUOFUMP-VXGBXAGGSA-N -1 3 297.445 3.306 20 0 CGADHM CC[C@@](C)(OC)c1noc(Cc2ccc([O-])cc2Cl)n1 ZINC000354083658 380312858 /nfs/dbraw/zinc/31/28/58/380312858.db2.gz PYORPDXXRCSYNT-CQSZACIVSA-N -1 3 296.754 3.291 20 0 CGADHM Cc1ccccc1[C@@H](C)N(C)C(=O)c1ccc2n[n-]nc2c1 ZINC000354213524 380366129 /nfs/dbraw/zinc/36/61/29/380366129.db2.gz PITVPMOCZCEFOA-GFCCVEGCSA-N -1 3 294.358 3.100 20 0 CGADHM CCOc1ccc([C@H](C)NC(=O)c2cccc([O-])c2)cc1 ZINC000643972150 380403725 /nfs/dbraw/zinc/40/37/25/380403725.db2.gz AXPVEKCIIUBHQA-LBPRGKRZSA-N -1 3 285.343 3.282 20 0 CGADHM Cc1sc(CC(=O)Nc2ccccc2[O-])nc1C(C)C ZINC000279102425 194284853 /nfs/dbraw/zinc/28/48/53/194284853.db2.gz XOVRLARYIDWZMI-UHFFFAOYSA-N -1 3 290.388 3.462 20 0 CGADHM CCc1cc(C(=O)NCC(C)(C)c2ccncc2)ccc1[O-] ZINC000644051510 380410892 /nfs/dbraw/zinc/41/08/92/380410892.db2.gz QARWMXBRFNWCNS-UHFFFAOYSA-N -1 3 298.386 3.057 20 0 CGADHM Cc1cc(C(=O)N[C@@H]2CCc3c2cccc3F)ccc1[O-] ZINC000354361206 380413130 /nfs/dbraw/zinc/41/31/30/380413130.db2.gz NINQCFCAWGWRJK-OAHLLOKOSA-N -1 3 285.318 3.257 20 0 CGADHM Cc1cc(C(=O)N[C@H]2C[C@H]2c2cccc(F)c2)ccc1[O-] ZINC000354372959 380417635 /nfs/dbraw/zinc/41/76/35/380417635.db2.gz QQVXQCSGHPJDBR-GJZGRUSLSA-N -1 3 285.318 3.126 20 0 CGADHM CCc1cc(C(=O)N2CCC3(CCC3)CC2)ccc1[O-] ZINC000644127389 380420099 /nfs/dbraw/zinc/42/00/99/380420099.db2.gz OORPQMKQEYCFCG-UHFFFAOYSA-N -1 3 273.376 3.361 20 0 CGADHM Cc1cc(C(=O)NCC23CCC(CC2)C3)ccc1[O-] ZINC000354614139 380504025 /nfs/dbraw/zinc/50/40/25/380504025.db2.gz YOFPSXQINCCBNR-UHFFFAOYSA-N -1 3 259.349 3.011 20 0 CGADHM CC[C@@H](C)C[C@@H](C)NC(=O)c1c[n-]nc1-c1ccccn1 ZINC000354503784 380462028 /nfs/dbraw/zinc/46/20/28/380462028.db2.gz GWONEKHWFRSYFT-VXGBXAGGSA-N -1 3 286.379 3.026 20 0 CGADHM CO[C@@H](CC(C)C)c1nc(-c2ccc([O-])cc2)no1 ZINC000417227698 380578149 /nfs/dbraw/zinc/57/81/49/380578149.db2.gz CWTHHBAJPHBGAM-LBPRGKRZSA-N -1 3 262.309 3.176 20 0 CGADHM COc1cc(CN[C@H](C(=O)[O-])c2ccc(C)cc2)ccc1C ZINC000417526322 380632630 /nfs/dbraw/zinc/63/26/30/380632630.db2.gz BYLNOKJPLNMEOV-KRWDZBQOSA-N -1 3 299.370 3.228 20 0 CGADHM O=C([O-])Cc1ccccc1CNCc1ccc(C2CC2)cc1 ZINC000417549537 380634072 /nfs/dbraw/zinc/63/40/72/380634072.db2.gz TWBNTAGDUGFEAA-UHFFFAOYSA-N -1 3 295.382 3.481 20 0 CGADHM CCc1cnc(CN[C@@H](CC(=O)[O-])CC(C)(C)C)s1 ZINC000417577129 380642738 /nfs/dbraw/zinc/64/27/38/380642738.db2.gz IPZJJHOTEVKYBT-JTQLQIEISA-N -1 3 284.425 3.075 20 0 CGADHM C[C@H](CNCc1ccc(-c2ccccc2Cl)o1)C(=O)[O-] ZINC000417582730 380643230 /nfs/dbraw/zinc/64/32/30/380643230.db2.gz JFIMMBDJVDXRGE-SNVBAGLBSA-N -1 3 293.750 3.410 20 0 CGADHM [O-]c1cccc(CNCCOc2ccc(F)cc2)c1Cl ZINC000645145965 380594740 /nfs/dbraw/zinc/59/47/40/380594740.db2.gz BLQXYUFIPIVQJT-UHFFFAOYSA-N -1 3 295.741 3.353 20 0 CGADHM CO[C@@]1(C)C[C@H](NCc2cccc([O-])c2Cl)C1(C)C ZINC000645160485 380597838 /nfs/dbraw/zinc/59/78/38/380597838.db2.gz LVJTVZUJTMVFEZ-WFASDCNBSA-N -1 3 283.799 3.339 20 0 CGADHM Cc1ncccc1CN[C@H](CCC(=O)[O-])c1ccccc1 ZINC000417604954 380646718 /nfs/dbraw/zinc/64/67/18/380646718.db2.gz WLCFDQVGLQODQU-MRXNPFEDSA-N -1 3 284.359 3.086 20 0 CGADHM C[C@H](NCc1c(Cl)cccc1Cl)[C@H](C)C(=O)[O-] ZINC000417615344 380651869 /nfs/dbraw/zinc/65/18/69/380651869.db2.gz TVJCFPFJANSKNX-YUMQZZPRSA-N -1 3 276.163 3.192 20 0 CGADHM C[C@H](CCC(=O)[O-])NCc1csc(Cl)c1Cl ZINC000417621016 380654935 /nfs/dbraw/zinc/65/49/35/380654935.db2.gz DSQOYOJRPHHWSA-ZCFIWIBFSA-N -1 3 282.192 3.398 20 0 CGADHM CC(C)[C@H](C(=O)Nc1ccc([O-])cc1F)c1ccncc1 ZINC000355928190 380786264 /nfs/dbraw/zinc/78/62/64/380786264.db2.gz OXLJHVABUAPCPA-HNNXBMFYSA-N -1 3 288.322 3.305 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2cccc3cnncc32)c1 ZINC000646014649 380799249 /nfs/dbraw/zinc/79/92/49/380799249.db2.gz PNTFCUUKRUTIHX-UHFFFAOYSA-N -1 3 293.326 3.150 20 0 CGADHM CCOc1cc(NC(=O)c2cccc([O-])c2)ccc1C ZINC000356917931 380937309 /nfs/dbraw/zinc/93/73/09/380937309.db2.gz MJQMKHWQPFSCBD-UHFFFAOYSA-N -1 3 271.316 3.352 20 0 CGADHM CCCCCc1nnc([N-]C(=O)c2cccnc2F)s1 ZINC000279290685 194370741 /nfs/dbraw/zinc/37/07/41/194370741.db2.gz YODQUHZDYNEJGN-UHFFFAOYSA-N -1 3 294.355 3.057 20 0 CGADHM C[C@@H]1C[C@H](C)[C@@H](C)N(C(=O)c2c[n-]c3ccccc3c2=O)C1 ZINC000357012564 380987605 /nfs/dbraw/zinc/98/76/05/380987605.db2.gz KHRWNBUUQWRRIZ-FRRDWIJNSA-N -1 3 298.386 3.035 20 0 CGADHM C[C@H](C1CC1)n1cc([N-]S(=O)(=O)CCC(C)(C)C)cn1 ZINC000357105326 381030767 /nfs/dbraw/zinc/03/07/67/381030767.db2.gz NVRHDZIIOVGPIH-LLVKDONJSA-N -1 3 299.440 3.032 20 0 CGADHM Cc1cccc2c(=O)c(C(=O)N3CCC[C@@H](C)CC3)c[n-]c12 ZINC000357692503 381253982 /nfs/dbraw/zinc/25/39/82/381253982.db2.gz AWDSMDXLFDLSTL-GFCCVEGCSA-N -1 3 298.386 3.099 20 0 CGADHM COc1cc(C(=O)N[C@@H](C)c2cc(C)oc2C)ccc1[O-] ZINC000357613822 381231614 /nfs/dbraw/zinc/23/16/14/381231614.db2.gz IBKCRBGFXHYQTI-JTQLQIEISA-N -1 3 289.331 3.102 20 0 CGADHM C[C@H]1CCN(Cc2ccc(F)c(Cl)c2)[C@@H](C(=O)[O-])C1 ZINC000231059076 542304673 /nfs/dbraw/zinc/30/46/73/542304673.db2.gz KALTWTONPZFKRB-TVQRCGJNSA-N -1 3 285.746 3.164 20 0 CGADHM O=C([O-])c1ccc(CN2CCC(C(F)(F)F)CC2)cc1 ZINC000088422800 304241058 /nfs/dbraw/zinc/24/10/58/304241058.db2.gz KYIUUZNFSHSZJG-UHFFFAOYSA-N -1 3 287.281 3.159 20 0 CGADHM COC[C@H](C)Cc1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000436620351 532979249 /nfs/dbraw/zinc/97/92/49/532979249.db2.gz VIMXRXSIHSWOJX-LLVKDONJSA-N -1 3 298.342 3.420 20 0 CGADHM CN[C@H](CC(C)(C)C)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000449166285 533011367 /nfs/dbraw/zinc/01/13/67/533011367.db2.gz CFNCVKZYVSZGQP-LLVKDONJSA-N -1 3 284.787 3.008 20 0 CGADHM CC[C@H]([N-]C(=O)C(C)(F)F)c1ccc(F)cc1F ZINC000289320432 197295865 /nfs/dbraw/zinc/29/58/65/197295865.db2.gz XBVQVHAELOOMDQ-JTQLQIEISA-N -1 3 263.234 3.187 20 0 CGADHM O=[S@](CCOC1CCCCCC1)c1cccc([O-])c1 ZINC000350516946 219033048 /nfs/dbraw/zinc/03/30/48/219033048.db2.gz XUTWFEKFRNGABS-LJQANCHMSA-N -1 3 282.405 3.239 20 0 CGADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@@H]3CC3(C)C)nc2)n1 ZINC000354079399 220535848 /nfs/dbraw/zinc/53/58/48/220535848.db2.gz GWOKTVFIQKCINI-LBPRGKRZSA-N -1 3 298.390 3.265 20 0 CGADHM C[C@@]1(F)CCN(C(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000334981164 542463823 /nfs/dbraw/zinc/46/38/23/542463823.db2.gz MMDSPPDNDVJMJJ-MRXNPFEDSA-N -1 3 273.307 3.120 20 0 CGADHM CO[C@H]1CCC[C@@H](CC(=O)Nc2c(C)cccc2[O-])C1 ZINC000281238009 195162132 /nfs/dbraw/zinc/16/21/32/195162132.db2.gz PGFPJEWMELESSQ-OLZOCXBDSA-N -1 3 277.364 3.234 20 0 CGADHM O=c1[n-]c([C@@H](F)c2ccc(Cl)cc2)nc2cccnc12 ZINC000337761678 542482115 /nfs/dbraw/zinc/48/21/15/542482115.db2.gz PLNORMCBJXQULC-NSHDSACASA-N -1 3 289.697 3.443 20 0 CGADHM O=c1[n-]c([C@H](F)c2ccc(Cl)cc2)nc2cccnc12 ZINC000337761676 542482467 /nfs/dbraw/zinc/48/24/67/542482467.db2.gz PLNORMCBJXQULC-LLVKDONJSA-N -1 3 289.697 3.443 20 0 CGADHM O=C(c1cc([O-])c2ccccc2c1)N1CC(C2CCC2)C1 ZINC000341400876 542494381 /nfs/dbraw/zinc/49/43/81/542494381.db2.gz MGOXTBNGUBIYKY-UHFFFAOYSA-N -1 3 281.355 3.418 20 0 CGADHM CN(Cc1ccco1)C(=O)c1cc([O-])c2ccccc2c1 ZINC000349267951 542525547 /nfs/dbraw/zinc/52/55/47/542525547.db2.gz OPPMWDCEGSYLDJ-UHFFFAOYSA-N -1 3 281.311 3.411 20 0 CGADHM COc1ccc(NC(=O)c2occc2C(C)C)c([O-])c1 ZINC000354994479 542564673 /nfs/dbraw/zinc/56/46/73/542564673.db2.gz BDVJCZYFDUHGHD-UHFFFAOYSA-N -1 3 275.304 3.370 20 0 CGADHM COc1ccc(NC(=O)c2cc3[nH]ccc3s2)c([O-])c1 ZINC000356968572 542574260 /nfs/dbraw/zinc/57/42/60/542574260.db2.gz JGDMTCVELBIPBT-UHFFFAOYSA-N -1 3 288.328 3.196 20 0 CGADHM [O-]c1ccc(-c2noc(-c3ccc4nsnc4c3)n2)cc1 ZINC000436749155 285383329 /nfs/dbraw/zinc/38/33/29/285383329.db2.gz IQEBTLDZICJGNO-UHFFFAOYSA-N -1 3 296.311 3.114 20 0 CGADHM [O-]c1ccc(-c2noc(-c3occ4c3CCC4)n2)cc1 ZINC000436684132 285383426 /nfs/dbraw/zinc/38/34/26/285383426.db2.gz XWUFLRXVFMDSEZ-UHFFFAOYSA-N -1 3 268.272 3.191 20 0 CGADHM CO[C@H]1CCC[C@@H]1CNC(=O)c1ccc(C(C)C)cc1[O-] ZINC000436624216 533236146 /nfs/dbraw/zinc/23/61/46/533236146.db2.gz AXQVUJBUHJPZFC-CJNGLKHVSA-N -1 3 291.391 3.061 20 0 CGADHM COc1ccc(C(=O)Nc2cc(Cl)cc(C)c2[O-])nc1 ZINC000436625228 533346522 /nfs/dbraw/zinc/34/65/22/533346522.db2.gz DVNYOHWTHFYOSN-UHFFFAOYSA-N -1 3 292.722 3.010 20 0 CGADHM COc1cccc(C(=O)N[C@@H]2C[C@@H]2C2CCCCC2)c1[O-] ZINC000436918700 533416257 /nfs/dbraw/zinc/41/62/57/533416257.db2.gz IIDKOBAYKAXBCL-ZIAGYGMSSA-N -1 3 289.375 3.099 20 0 CGADHM CSCCCCCNC(=O)c1ccc(C)c(C)c1[O-] ZINC000436567684 533552973 /nfs/dbraw/zinc/55/29/73/533552973.db2.gz TUIFUJWTANJVDD-UHFFFAOYSA-N -1 3 281.421 3.272 20 0 CGADHM Cc1cc(-c2nc(-c3ccc([O-])cc3)no2)cs1 ZINC000381106324 542595756 /nfs/dbraw/zinc/59/57/56/542595756.db2.gz BHOVDJSRLNAAGB-UHFFFAOYSA-N -1 3 258.302 3.479 20 0 CGADHM CCCc1nnc(NC(=O)c2ccc(C)c(C)c2[O-])s1 ZINC000048542497 392003908 /nfs/dbraw/zinc/00/39/08/392003908.db2.gz ZCXNDXAOGGPDEB-UHFFFAOYSA-N -1 3 291.376 3.065 20 0 CGADHM CC1([N-]S(=O)(=O)c2ccc(F)cc2Cl)CCCC1 ZINC000049078825 392033250 /nfs/dbraw/zinc/03/32/50/392033250.db2.gz KDEYHMSFKSJIIY-UHFFFAOYSA-N -1 3 291.775 3.090 20 0 CGADHM Cc1ccc2nc(-c3cc(F)cc(F)c3)[n-]c(=O)c2c1 ZINC000069579159 392173940 /nfs/dbraw/zinc/17/39/40/392173940.db2.gz MFARTEDAZKOXGJ-UHFFFAOYSA-N -1 3 272.254 3.177 20 0 CGADHM Cc1cccc(C(=O)N[C@@H](C)Cc2cccs2)c1[O-] ZINC000070140844 392176861 /nfs/dbraw/zinc/17/68/61/392176861.db2.gz GMUIUYZICXLGSJ-NSHDSACASA-N -1 3 275.373 3.123 20 0 CGADHM COc1ccc(NC(=O)c2cc3sccc3[nH]2)c([O-])c1 ZINC000430335041 542652452 /nfs/dbraw/zinc/65/24/52/542652452.db2.gz WEDLCIYQJDBFSP-UHFFFAOYSA-N -1 3 288.328 3.196 20 0 CGADHM Cc1ccc(C(=O)N[C@H]2CCCc3occc32)c([O-])c1 ZINC000097288019 392261857 /nfs/dbraw/zinc/26/18/57/392261857.db2.gz IKPAMVNZCZEGHB-ZDUSSCGKSA-N -1 3 271.316 3.101 20 0 CGADHM COc1ccc(NC(=O)[C@@H]2[C@@H](C)[C@@H]2c2ccccc2)c([O-])c1 ZINC000435831769 542658036 /nfs/dbraw/zinc/65/80/36/542658036.db2.gz VINLWMQETNAUBJ-YMRXKLBXSA-N -1 3 297.354 3.389 20 0 CGADHM COc1ccc(NC(=O)c2ccc(F)c(C)c2)c([O-])c1 ZINC000443562201 542667151 /nfs/dbraw/zinc/66/71/51/542667151.db2.gz UKRVCTPXWQLPDM-UHFFFAOYSA-N -1 3 275.279 3.101 20 0 CGADHM CO[C@H]1CCCC[C@H]1NCc1cccc([O-])c1Cl ZINC000293495964 392524954 /nfs/dbraw/zinc/52/49/54/392524954.db2.gz GVSZAOBFWBZHJG-YPMHNXCESA-N -1 3 269.772 3.093 20 0 CGADHM COc1cc(C(=O)N2CC(C)(C)[C@H]3CCC[C@H]32)ccc1[O-] ZINC000294693373 392537580 /nfs/dbraw/zinc/53/75/80/392537580.db2.gz JYFFACFNVWUCGH-QWHCGFSZSA-N -1 3 289.375 3.052 20 0 CGADHM CC(C)Oc1ccc(NC([O-])=NOCC2CC2)c(F)c1 ZINC000292817308 392512295 /nfs/dbraw/zinc/51/22/95/392512295.db2.gz CTRJEQCJOIFMSZ-UHFFFAOYSA-N -1 3 282.315 3.076 20 0 CGADHM CC(C)Oc1ccc(NC(=O)[N-]OCC2CC2)c(F)c1 ZINC000292817308 392512301 /nfs/dbraw/zinc/51/23/01/392512301.db2.gz CTRJEQCJOIFMSZ-UHFFFAOYSA-N -1 3 282.315 3.076 20 0 CGADHM CC1CC(NCc2cccc([O-])c2Br)C1 ZINC000315731707 392669195 /nfs/dbraw/zinc/66/91/95/392669195.db2.gz ORRPXDXWHYRXGT-UHFFFAOYSA-N -1 3 270.170 3.043 20 0 CGADHM CCO[C@H]1CCCN(Cc2cccc([O-])c2Cl)C1 ZINC000328438823 392674304 /nfs/dbraw/zinc/67/43/04/392674304.db2.gz CXEOWUCIBAFMSN-LBPRGKRZSA-N -1 3 269.772 3.047 20 0 CGADHM CC1(C(=O)[O-])CCN(C/C=C\c2ccc(F)c(F)c2)CC1 ZINC000647464474 392728497 /nfs/dbraw/zinc/72/84/97/392728497.db2.gz TVKAUZBGNOMSDW-IHWYPQMZSA-N -1 3 295.329 3.165 20 0 CGADHM CCc1cc(=O)[n-]c(CN[C@@H](C)[C@@H](C)c2ccccc2)n1 ZINC000181526899 392734018 /nfs/dbraw/zinc/73/40/18/392734018.db2.gz FRHSUJPGBGWMLB-OLZOCXBDSA-N -1 3 285.391 3.026 20 0 CGADHM Cc1ccc(C(=O)N2CCC[C@@]3(CCSC3)C2)c([O-])c1 ZINC000334762107 392749790 /nfs/dbraw/zinc/74/97/90/392749790.db2.gz DSESQKGCTAIVTK-MRXNPFEDSA-N -1 3 291.416 3.060 20 0 CGADHM Cc1ccc(C(=O)N2CC[C@@H](C)c3cccc([O-])c32)cn1 ZINC000186314514 392782702 /nfs/dbraw/zinc/78/27/02/392782702.db2.gz VKRRUUZUAULIGH-LLVKDONJSA-N -1 3 282.343 3.250 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)c2ncc(F)cc2F)c1[O-] ZINC000192193635 392842271 /nfs/dbraw/zinc/84/22/71/392842271.db2.gz FGUUKGOUIWMAJM-UHFFFAOYSA-N -1 3 298.676 3.280 20 0 CGADHM [O-]c1ccc(F)c(CNC/C=C/c2ccccc2)c1F ZINC000511056807 392826127 /nfs/dbraw/zinc/82/61/27/392826127.db2.gz CJYGDWHPRVNDSC-QPJJXVBHSA-N -1 3 275.298 3.473 20 0 CGADHM C[C@@H](CNCc1c(F)ccc([O-])c1F)Oc1ccccc1 ZINC000511163088 392830951 /nfs/dbraw/zinc/83/09/51/392830951.db2.gz VPPQJNYOLLKGBV-NSHDSACASA-N -1 3 293.313 3.228 20 0 CGADHM CC(=O)c1cccc(NC(=O)C2=CC[C@H](C)CC2)c1[O-] ZINC000519712802 392887353 /nfs/dbraw/zinc/88/73/53/392887353.db2.gz QYGXSPZPWGONIE-JTQLQIEISA-N -1 3 273.332 3.280 20 0 CGADHM CCCCc1nnc([N-]C(=O)c2ccoc2Cl)s1 ZINC000192256277 392845716 /nfs/dbraw/zinc/84/57/16/392845716.db2.gz XNRIXSXODIIMKF-UHFFFAOYSA-N -1 3 285.756 3.379 20 0 CGADHM Cc1cc(Cl)ccc1Cc1nc2cccnc2c(=O)[n-]1 ZINC000491756346 542718039 /nfs/dbraw/zinc/71/80/39/542718039.db2.gz BMSANRHMHKENPK-UHFFFAOYSA-N -1 3 285.734 3.283 20 0 CGADHM CCCC1CCC(NC(=O)c2cccc3nn[n-]c32)CC1 ZINC000525867391 392951597 /nfs/dbraw/zinc/95/15/97/392951597.db2.gz JAMJAULUMGDKHP-UHFFFAOYSA-N -1 3 286.379 3.047 20 0 CGADHM CCCC1CCC(NC(=O)c2cccc3[n-]nnc32)CC1 ZINC000525867391 392951601 /nfs/dbraw/zinc/95/16/01/392951601.db2.gz JAMJAULUMGDKHP-UHFFFAOYSA-N -1 3 286.379 3.047 20 0 CGADHM CCCC1CCC(NC(=O)c2cccc3n[n-]nc32)CC1 ZINC000525867391 392951603 /nfs/dbraw/zinc/95/16/03/392951603.db2.gz JAMJAULUMGDKHP-UHFFFAOYSA-N -1 3 286.379 3.047 20 0 CGADHM [O-]c1cccc(CN[C@@H]2CC[C@H]3C[C@H]3C2)c1Br ZINC000403387468 392959036 /nfs/dbraw/zinc/95/90/36/392959036.db2.gz GRAKJIXJZGOLAH-ZMLRMANQSA-N -1 3 296.208 3.433 20 0 CGADHM CCOc1cc(-c2noc([C@H]3CC34CC4)n2)ccc1[O-] ZINC000351321198 393181164 /nfs/dbraw/zinc/18/11/64/393181164.db2.gz GTGRXVGFVJTSPL-SNVBAGLBSA-N -1 3 272.304 3.108 20 0 CGADHM CC(C)Oc1ccccc1CN1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC000263309433 393150448 /nfs/dbraw/zinc/15/04/48/393150448.db2.gz HTVVRDODDRRWLZ-DZGCQCFKSA-N -1 3 291.391 3.016 20 0 CGADHM CN(C(=O)c1ccc(O)cc1[O-])[C@H]1CCC[C@@H]1C(C)(C)C ZINC000416291232 393294106 /nfs/dbraw/zinc/29/41/06/393294106.db2.gz NYHCGTHRFJFBKL-KBPBESRZSA-N -1 3 291.391 3.385 20 0 CGADHM Cc1ccccc1C1(NC(=O)Cc2ccc([O-])c(F)c2)CC1 ZINC000648958168 393299184 /nfs/dbraw/zinc/29/91/84/393299184.db2.gz CCOIONIHEWZROJ-UHFFFAOYSA-N -1 3 299.345 3.188 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCC[C@H]2C(C)(C)C)o1 ZINC000416630606 393318035 /nfs/dbraw/zinc/31/80/35/393318035.db2.gz IJKWOTOPTHYFMS-NEPJUHHUSA-N -1 3 285.409 3.081 20 0 CGADHM CC[C@@H](c1ccccc1)N(CC)C(=O)c1csc(=O)[n-]1 ZINC000471960587 393323006 /nfs/dbraw/zinc/32/30/06/393323006.db2.gz JHJYBUGQDULTND-ZDUSSCGKSA-N -1 3 290.388 3.462 20 0 CGADHM CC(C)(C)C[C@@H]1C[C@H]1C(=O)NCc1ccc([O-])c(F)c1 ZINC000648833126 393267843 /nfs/dbraw/zinc/26/78/43/393267843.db2.gz YXUIHIGMTRQRKE-NWDGAFQWSA-N -1 3 279.355 3.220 20 0 CGADHM COc1ccc(NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)c([O-])c1 ZINC000648874075 393280210 /nfs/dbraw/zinc/28/02/10/393280210.db2.gz WBLXFUQFYGQQMI-CMPLNLGQSA-N -1 3 277.364 3.412 20 0 CGADHM CCc1cc(=O)[n-]c(CSCC2CC(F)(F)C2)n1 ZINC000419449351 393382157 /nfs/dbraw/zinc/38/21/57/393382157.db2.gz YRHXVJZRIQZHDC-UHFFFAOYSA-N -1 3 274.336 3.023 20 0 CGADHM O=C([N-]c1cc(F)cc(F)c1F)c1coc(C2CC2)n1 ZINC000647063666 393335597 /nfs/dbraw/zinc/33/55/97/393335597.db2.gz XIHBPISAKCWBFV-UHFFFAOYSA-N -1 3 282.221 3.222 20 0 CGADHM C[C@@H]1CN(Cc2cc([O-])cc(C(F)(F)F)c2)[C@H](C)CO1 ZINC000356092666 393356827 /nfs/dbraw/zinc/35/68/27/393356827.db2.gz UOUCNBCVXGOXQC-NXEZZACHSA-N -1 3 289.297 3.020 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@@H]1CCCC[C@H]1C ZINC000649228241 393376391 /nfs/dbraw/zinc/37/63/91/393376391.db2.gz FTUSEIMSCGMRJZ-ZYHUDNBSSA-N -1 3 263.385 3.028 20 0 CGADHM CC[C@H](CC(C)C)C(=O)N=c1[nH][n-]c(C(C)C)c1C ZINC000649229353 393377439 /nfs/dbraw/zinc/37/74/39/393377439.db2.gz XVBYOMCZHDURJL-GFCCVEGCSA-N -1 3 265.401 3.274 20 0 CGADHM C[C@@H](CN=c1[n-]c(C(F)(F)F)cs1)C(F)(F)F ZINC000475722039 393413514 /nfs/dbraw/zinc/41/35/14/393413514.db2.gz GHMORRFYDUVPHY-BYPYZUCNSA-N -1 3 278.221 3.194 20 0 CGADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@H]1CC12CCCC2 ZINC000430243356 393548098 /nfs/dbraw/zinc/54/80/98/393548098.db2.gz KUJZPSMIXKJDRV-HNNXBMFYSA-N -1 3 291.366 3.303 20 0 CGADHM Cc1cccc([O-])c1NC(=O)COC/C=C/c1ccccc1 ZINC000490759518 393653941 /nfs/dbraw/zinc/65/39/41/393653941.db2.gz RWIUARBNNHIYNS-UXBLZVDNSA-N -1 3 297.354 3.369 20 0 CGADHM CCCCN(C(=O)/C=C/c1cncc([O-])c1)[C@@H](C)CC ZINC000492440518 393735065 /nfs/dbraw/zinc/73/50/65/393735065.db2.gz MCZFJOBWFSSJPD-GWJCSSMESA-N -1 3 276.380 3.228 20 0 CGADHM COc1cc(C(=O)N[C@@H]2CC[C@H]3CCC[C@@H]3C2)ccc1[O-] ZINC000443284782 393751200 /nfs/dbraw/zinc/75/12/00/393751200.db2.gz CLTOKCNXGXPNQZ-YRGRVCCFSA-N -1 3 289.375 3.099 20 0 CGADHM O=C(/C=C/c1cscn1)Nc1cc(Cl)ccc1[O-] ZINC000492290591 393714576 /nfs/dbraw/zinc/71/45/76/393714576.db2.gz UUIWZESUFQSGIU-DUXPYHPUSA-N -1 3 280.736 3.154 20 0 CGADHM Cc1ccc(C(=O)N2CC[C@@H]2c2ccccc2)c([O-])c1 ZINC000436530295 393717496 /nfs/dbraw/zinc/71/74/96/393717496.db2.gz QFMGDNAHGSHQKP-OAHLLOKOSA-N -1 3 267.328 3.288 20 0 CGADHM COCc1nc(C(=O)[N-]c2ccsc2Cl)cs1 ZINC000438550436 393723275 /nfs/dbraw/zinc/72/32/75/393723275.db2.gz BOJRXSRIROUCIL-UHFFFAOYSA-N -1 3 288.781 3.257 20 0 CGADHM Cc1cc(C(=O)N[C@@H](CC(F)(F)F)C(C)C)ccc1[O-] ZINC000438618868 393728466 /nfs/dbraw/zinc/72/84/66/393728466.db2.gz LGYPSJHHORXFFB-NSHDSACASA-N -1 3 289.297 3.407 20 0 CGADHM CCOc1cc(-c2noc(CCC(C)C)n2)ccc1[O-] ZINC000445425095 393792942 /nfs/dbraw/zinc/79/29/42/393792942.db2.gz ASICASAPHQIXOL-UHFFFAOYSA-N -1 3 276.336 3.430 20 0 CGADHM Cc1cc(C(=O)NCCCc2cccc(F)c2)ccc1[O-] ZINC000499995018 393813137 /nfs/dbraw/zinc/81/31/37/393813137.db2.gz ZMWWMSFMTZHBRP-UHFFFAOYSA-N -1 3 287.334 3.202 20 0 CGADHM Cc1cc(C(=O)NCC2(Cc3ccccc3)CC2)ccc1[O-] ZINC000500308981 393823478 /nfs/dbraw/zinc/82/34/78/393823478.db2.gz YZPZGLQVRFRICX-UHFFFAOYSA-N -1 3 295.382 3.453 20 0 CGADHM CSc1ccc([O-])c(C(=O)N2CCC[C@@H](C)CC2)c1 ZINC000667447767 542869345 /nfs/dbraw/zinc/86/93/45/542869345.db2.gz GABLIXLZFPLVQA-LLVKDONJSA-N -1 3 279.405 3.376 20 0 CGADHM C[C@H]1Cc2ccccc2CN1C(=O)Cc1ccc([O-])c(F)c1 ZINC000449999976 393959080 /nfs/dbraw/zinc/95/90/80/393959080.db2.gz QOSWZIVTXJDFOB-LBPRGKRZSA-N -1 3 299.345 3.047 20 0 CGADHM CC(C)C[C@@H]1CCCN(C(=O)Cc2ccc([O-])c(F)c2)C1 ZINC000450114020 393981302 /nfs/dbraw/zinc/98/13/02/393981302.db2.gz MGNYXHIAMRYDAM-AWEZNQCLSA-N -1 3 293.382 3.359 20 0 CGADHM CC[C@H]1CCC[C@H]1CNC(=O)c1c[n-]c2ccccc2c1=O ZINC000452521462 394077355 /nfs/dbraw/zinc/07/73/55/394077355.db2.gz RTJFWCJZXOHTPG-STQMWFEESA-N -1 3 298.386 3.084 20 0 CGADHM CC[C@]1(C(C)C)C[C@@H]1NC(=O)Cc1ccc([O-])c(F)c1 ZINC000457232357 394334354 /nfs/dbraw/zinc/33/43/54/394334354.db2.gz IVLIIANMQAIQEQ-GOEBONIOSA-N -1 3 279.355 3.015 20 0 CGADHM Cc1cc(C(=O)N2C[C@H]3[C@@H]4CC[C@@H](C4)[C@@]3(C)C2)ccc1[O-] ZINC000456993593 394307212 /nfs/dbraw/zinc/30/72/12/394307212.db2.gz SSQSQAVWSIZQDJ-OYUZRVEBSA-N -1 3 285.387 3.209 20 0 CGADHM COc1cc(C(=O)N2CC[C@H](CC(C)(C)C)C2)ccc1[O-] ZINC000457005393 394309512 /nfs/dbraw/zinc/30/95/12/394309512.db2.gz CLPFURMXZDEIRV-GFCCVEGCSA-N -1 3 291.391 3.299 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CC(C(C)(C)C)C2)c1 ZINC000457345379 394347743 /nfs/dbraw/zinc/34/77/43/394347743.db2.gz RHVAANBFMKRHRM-UHFFFAOYSA-N -1 3 261.365 3.073 20 0 CGADHM CC(C)(C)C1CN(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000457348993 394348588 /nfs/dbraw/zinc/34/85/88/394348588.db2.gz YMMDSVIEGYTRJY-UHFFFAOYSA-N -1 3 293.382 3.359 20 0 CGADHM CCc1cc2c([n-]c(-c3csc(C)n3)nc2=O)s1 ZINC000668142601 542974820 /nfs/dbraw/zinc/97/48/20/542974820.db2.gz ZDWCXYCLUPMEPL-UHFFFAOYSA-N -1 3 277.374 3.391 20 0 CGADHM Cc1ccc(C(=O)N2CCCC[C@@H]2c2ncc[nH]2)c([O-])c1C ZINC000271230901 292052039 /nfs/dbraw/zinc/05/20/39/292052039.db2.gz FSMVAZUJMKHZOD-CQSZACIVSA-N -1 3 299.374 3.100 20 0 CGADHM CSc1ccc([O-])c(C(=O)N2CCC[C@H](C)[C@H]2C)c1 ZINC000669137808 543089274 /nfs/dbraw/zinc/08/92/74/543089274.db2.gz CTNUNAKSAUCTTK-WDEREUQCSA-N -1 3 279.405 3.375 20 0 CGADHM CCC[C@H](O)CC(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000669746764 543124186 /nfs/dbraw/zinc/12/41/86/543124186.db2.gz WVVYHJXUJFHQST-LBPRGKRZSA-N -1 3 279.380 3.179 20 0 CGADHM Cc1nsc([N-]C(=O)c2ccc(C(F)(F)F)s2)n1 ZINC000671747765 543184788 /nfs/dbraw/zinc/18/47/88/543184788.db2.gz NILJGTMMYAVMBF-UHFFFAOYSA-N -1 3 293.295 3.179 20 0 CGADHM Cc1cc(C)c2[n-]cc(C(=O)N3CCC[C@@H]3C)c(=O)c2c1 ZINC000164303381 397659354 /nfs/dbraw/zinc/65/93/54/397659354.db2.gz PFXYAZDJXPIZKZ-LBPRGKRZSA-N -1 3 284.359 3.182 20 0 CGADHM CCC[C@@H](CC)S(=O)(=O)[N-]c1cccc(C)c1O ZINC000650185061 397799296 /nfs/dbraw/zinc/79/92/96/397799296.db2.gz MKKGHDJICYURAP-LLVKDONJSA-N -1 3 271.382 3.021 20 0 CGADHM CC1(F)CN(C(=O)CCc2ccc3ccccc3c2[O-])C1 ZINC000649856735 397739100 /nfs/dbraw/zinc/73/91/00/397739100.db2.gz SAAKSOWEJCTJTM-UHFFFAOYSA-N -1 3 287.334 3.048 20 0 CGADHM COc1ccc(Cl)c(CN2CCCC[C@@H]2CC(=O)[O-])c1 ZINC000650507456 397860729 /nfs/dbraw/zinc/86/07/29/397860729.db2.gz YKYKGLYACYBLHM-GFCCVEGCSA-N -1 3 297.782 3.178 20 0 CGADHM Cc1ccc([O-])c(NC(=O)[C@@H]2CCCc3ccccc32)n1 ZINC000345976391 292165664 /nfs/dbraw/zinc/16/56/64/292165664.db2.gz HBBBNYYYORQXHP-CQSZACIVSA-N -1 3 282.343 3.154 20 0 CGADHM Cc1ccc(C(=O)N2CCC[C@H]2C2CC2)c([O-])c1C ZINC000678310817 543513681 /nfs/dbraw/zinc/51/36/81/543513681.db2.gz RQFXLGXGWQNZLJ-AWEZNQCLSA-N -1 3 259.349 3.024 20 0 CGADHM COc1cc(C(=O)N2CC[C@]3(CC[C@@H](C)C3)C2)ccc1[O-] ZINC000334904588 286198120 /nfs/dbraw/zinc/19/81/20/286198120.db2.gz XTIUVOUAFHEYAE-PXAZEXFGSA-N -1 3 289.375 3.053 20 0 CGADHM COc1ccc(C(=O)N2[C@H](C)C[C@H]3CCCC[C@@H]32)c([O-])c1 ZINC000173051283 286285274 /nfs/dbraw/zinc/28/52/74/286285274.db2.gz DNNFINKZMCQJQK-JMSVASOKSA-N -1 3 289.375 3.194 20 0 CGADHM Cc1ccc2[n-]cc(C(=O)N3CCC[C@H](C)[C@H]3C)c(=O)c2c1 ZINC000341916014 292300845 /nfs/dbraw/zinc/30/08/45/292300845.db2.gz JAGPWHAANFHDON-QWHCGFSZSA-N -1 3 298.386 3.097 20 0 CGADHM Cc1ccc([O-])c(C(=O)N(C)CCc2ccc(F)cc2)c1 ZINC000055369161 286944748 /nfs/dbraw/zinc/94/47/48/286944748.db2.gz QAUYTERTRGGVBS-UHFFFAOYSA-N -1 3 287.334 3.154 20 0 CGADHM Cc1cc(C(=O)N2CCCc3cccc([O-])c32)ccc1F ZINC000063063966 286961895 /nfs/dbraw/zinc/96/18/95/286961895.db2.gz HBCHBHKYWVTMFH-UHFFFAOYSA-N -1 3 285.318 3.433 20 0 CGADHM C[C@H](NC(=O)NCc1ccc([O-])c(F)c1)C1CCCCC1 ZINC000074373994 287012284 /nfs/dbraw/zinc/01/22/84/287012284.db2.gz ZXDOYYIROGSUCQ-NSHDSACASA-N -1 3 294.370 3.299 20 0 CGADHM Cc1ccc(C[C@H](C)NC(=O)c2ccc(C)cc2[O-])s1 ZINC000080247422 287064303 /nfs/dbraw/zinc/06/43/03/287064303.db2.gz SMTWBLLZUZHUNN-NSHDSACASA-N -1 3 289.400 3.432 20 0 CGADHM CC[C@@H](NC(=O)c1ccc(C)cc1[O-])c1nccs1 ZINC000080305700 287064519 /nfs/dbraw/zinc/06/45/19/287064519.db2.gz MSYGHGGFQJKNNW-LLVKDONJSA-N -1 3 276.361 3.038 20 0 CGADHM Cc1ccc([O-])c(CNc2ccc(-c3cnco3)cc2)n1 ZINC000091994640 165278325 /nfs/dbraw/zinc/27/83/25/165278325.db2.gz PVTQOTOVSPAKOC-UHFFFAOYSA-N -1 3 281.315 3.363 20 0 CGADHM CCC(CC)(NCc1coc(-c2ccccc2)n1)C(=O)[O-] ZINC000094242734 165347111 /nfs/dbraw/zinc/34/71/11/165347111.db2.gz UKIYMUAXDCAZIM-UHFFFAOYSA-N -1 3 288.347 3.075 20 0 CGADHM Cc1ccc([O-])c(C(=O)N(C)c2ccc(F)c(F)c2)c1 ZINC000098106141 287125446 /nfs/dbraw/zinc/12/54/46/287125446.db2.gz RTHAPXDZINNVHZ-UHFFFAOYSA-N -1 3 277.270 3.255 20 0 CGADHM Cc1ccc([O-])c(-c2nc(-c3cccs3)no2)c1 ZINC000109037070 287127156 /nfs/dbraw/zinc/12/71/56/287127156.db2.gz KSZJJLGDYAQSFO-UHFFFAOYSA-N -1 3 258.302 3.479 20 0 CGADHM COc1cccc(-c2noc(-c3cc(C)ccc3[O-])n2)c1 ZINC000109037235 287127167 /nfs/dbraw/zinc/12/71/67/287127167.db2.gz JDIHALCXSZCKMF-UHFFFAOYSA-N -1 3 282.299 3.426 20 0 CGADHM O=C(N[C@@H]1CCC[C@@H]1c1ccccc1)c1ccc(O)cc1[O-] ZINC000110571153 287131670 /nfs/dbraw/zinc/13/16/70/287131670.db2.gz RDONODFMDMQIFP-GDBMZVCRSA-N -1 3 297.354 3.164 20 0 CGADHM Cc1ccc(C(=O)Nc2cc(Cl)ccc2O)c([O-])c1 ZINC000111211398 287133726 /nfs/dbraw/zinc/13/37/26/287133726.db2.gz PHRUBUCHJJRCKO-UHFFFAOYSA-N -1 3 277.707 3.312 20 0 CGADHM Cc1ccc([O-])c(-c2nc(-c3ccsc3)no2)c1 ZINC000109037402 287127557 /nfs/dbraw/zinc/12/75/57/287127557.db2.gz OEUUFYMPPVFKPS-UHFFFAOYSA-N -1 3 258.302 3.479 20 0 CGADHM CC[C@@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000007307830 170277473 /nfs/dbraw/zinc/27/74/73/170277473.db2.gz XBZIUDSMPGHTHC-SSDOTTSWSA-N -1 3 282.192 3.070 20 0 CGADHM Cc1cccc2c1N(C(=O)c1cccc(C)c1[O-])CC2 ZINC000125477296 287245317 /nfs/dbraw/zinc/24/53/17/287245317.db2.gz AASLIMXNVXEGMD-UHFFFAOYSA-N -1 3 267.328 3.212 20 0 CGADHM Cc1cccc(C(=O)Nc2ccc3c(c2)CCC3)c1[O-] ZINC000021812530 171329909 /nfs/dbraw/zinc/32/99/09/171329909.db2.gz ZOBYLEUZIWFXIG-UHFFFAOYSA-N -1 3 267.328 3.442 20 0 CGADHM Cc1ccc(NC(=O)c2c(F)cccc2F)c([O-])c1 ZINC000040430641 174260107 /nfs/dbraw/zinc/26/01/07/174260107.db2.gz ZKOJORUOYRUFEK-UHFFFAOYSA-N -1 3 263.243 3.231 20 0 CGADHM CC(C)C[C@H](NCc1ccc(F)cc1Cl)C(=O)[O-] ZINC000043443076 175046703 /nfs/dbraw/zinc/04/67/03/175046703.db2.gz CMPUXXOQMUCTBX-LBPRGKRZSA-N -1 3 273.735 3.068 20 0 CGADHM COc1ccc(C(=O)Nc2cccc([O-])c2F)c(C)c1 ZINC000128351858 287309300 /nfs/dbraw/zinc/30/93/00/287309300.db2.gz ABZXWPIQECZRAB-UHFFFAOYSA-N -1 3 275.279 3.101 20 0 CGADHM Cc1csc2[n-]c(CO[C@H]3CCCC[C@@H]3C)nc(=O)c12 ZINC000070694416 176001975 /nfs/dbraw/zinc/00/19/75/176001975.db2.gz MYOWKBGCWIAVTK-ONGXEEELSA-N -1 3 292.404 3.388 20 0 CGADHM CCCn1nc(C)c(C(=O)Nc2cccc([O-])c2F)c1C ZINC000128910376 287320393 /nfs/dbraw/zinc/32/03/93/287320393.db2.gz AJVDGAJOENJJEP-UHFFFAOYSA-N -1 3 291.326 3.007 20 0 CGADHM C[C@@H]1CCN(Cc2cccc(Cl)c2)[C@H](C(=O)[O-])C1 ZINC000129266734 287328126 /nfs/dbraw/zinc/32/81/26/287328126.db2.gz LQACIRDIXAYGFQ-MFKMUULPSA-N -1 3 267.756 3.025 20 0 CGADHM Cc1cccc2nc(-c3ccc(F)c(F)c3)[n-]c(=O)c12 ZINC000048623044 416456269 /nfs/dbraw/zinc/45/62/69/416456269.db2.gz NJSJYRBJCQFZBE-UHFFFAOYSA-N -1 3 272.254 3.177 20 0 CGADHM CSc1ccc(CN2CCC3(C[C@@H]3C(=O)[O-])CC2)cc1 ZINC000405384198 416559727 /nfs/dbraw/zinc/55/97/27/416559727.db2.gz ZWOSSUSITWMUCJ-CQSZACIVSA-N -1 3 291.416 3.095 20 0 CGADHM O=C([O-])CC1CCN(Cc2cccc(C(F)F)c2)CC1 ZINC000132306398 416515183 /nfs/dbraw/zinc/51/51/83/416515183.db2.gz HUOOUKKNZZCMNK-UHFFFAOYSA-N -1 3 283.318 3.311 20 0 CGADHM Cc1cc(C(=O)NCC(C)(C)[C@@H]2CCCCO2)ccc1[O-] ZINC000679410670 543635849 /nfs/dbraw/zinc/63/58/49/543635849.db2.gz YTRWQDRNKXMCRQ-HNNXBMFYSA-N -1 3 291.391 3.026 20 0 CGADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CC=CCC1 ZINC000679326316 543618821 /nfs/dbraw/zinc/61/88/21/543618821.db2.gz WULRMXURIXDTEY-UHFFFAOYSA-N -1 3 293.366 3.385 20 0 CGADHM CCC(CC)(CC)C(=O)Nc1nc(C)ccc1[O-] ZINC000680321818 543696355 /nfs/dbraw/zinc/69/63/55/543696355.db2.gz YMWVBTBJQWALRN-UHFFFAOYSA-N -1 3 250.342 3.251 20 0 CGADHM Cc1cc(NC(=O)c2cccc(C)c2[O-])nn1[C@H](C)C1CC1 ZINC000680044306 543679282 /nfs/dbraw/zinc/67/92/82/543679282.db2.gz ZYAIPGRNYJBRPZ-GFCCVEGCSA-N -1 3 299.374 3.429 20 0 CGADHM Cc1cccc(C(=O)Nc2cc(O)c(C)cc2C)c1[O-] ZINC000680823245 543736312 /nfs/dbraw/zinc/73/63/12/543736312.db2.gz BPAWXDORRNBVSF-UHFFFAOYSA-N -1 3 271.316 3.275 20 0 CGADHM O=C(N[C@@H]1CCC(F)(F)C1)c1ccc2c(c1[O-])CCCC2 ZINC000680449287 543711200 /nfs/dbraw/zinc/71/12/00/543711200.db2.gz XEAPKSQMXRNUII-LLVKDONJSA-N -1 3 295.329 3.189 20 0 CGADHM Cc1noc(C(F)F)c1C(=O)Nc1ccc([O-])cc1F ZINC000681336878 543782197 /nfs/dbraw/zinc/78/21/97/543782197.db2.gz ANVMLLOZPXZTSY-UHFFFAOYSA-N -1 3 286.209 3.018 20 0 CGADHM Cc1nnc([N-]c2ccn([C@@H](C)c3ccccc3)n2)nc1C ZINC000681388785 543785438 /nfs/dbraw/zinc/78/54/38/543785438.db2.gz AHBBSJYXYQQMJR-ZDUSSCGKSA-N -1 3 294.362 3.038 20 0 CGADHM Cc1occc1CNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000682472229 543848289 /nfs/dbraw/zinc/84/82/89/543848289.db2.gz NMRVKPVERRNEKG-UHFFFAOYSA-N -1 3 291.322 3.072 20 0 CGADHM Cc1csc([N-]C(=O)c2c(F)ccc(F)c2F)n1 ZINC000131952875 287393472 /nfs/dbraw/zinc/39/34/72/287393472.db2.gz SSVFNINKBBHGNT-UHFFFAOYSA-N -1 3 272.251 3.121 20 0 CGADHM O=C([O-])[C@H](NCC1CCCCC1)c1cc(F)ccc1F ZINC000683174493 543900668 /nfs/dbraw/zinc/90/06/68/543900668.db2.gz SVEPIRZIVDJLDG-CQSZACIVSA-N -1 3 283.318 3.260 20 0 CGADHM COc1ccc([C@@H](CC(=O)[O-])NCc2ccsc2)cc1 ZINC000683171038 543901163 /nfs/dbraw/zinc/90/11/63/543901163.db2.gz FGEKFICCCUJTBH-CQSZACIVSA-N -1 3 291.372 3.062 20 0 CGADHM Cc1cc(F)ccc1CNCc1cccc(C(=O)[O-])c1 ZINC000683176941 543901313 /nfs/dbraw/zinc/90/13/13/543901313.db2.gz YDAFVQSMSBPIJN-UHFFFAOYSA-N -1 3 273.307 3.122 20 0 CGADHM CC(=O)c1ccc(C(=O)[N-]c2nc3cc(C)cc(C)c3o2)o1 ZINC000683744559 543937657 /nfs/dbraw/zinc/93/76/57/543937657.db2.gz CRCAFHWGTWDZCN-UHFFFAOYSA-N -1 3 298.298 3.493 20 0 CGADHM CC(C)(NC(=O)CCCc1ccc([O-])c(F)c1)C(F)F ZINC000684341320 543982461 /nfs/dbraw/zinc/98/24/61/543982461.db2.gz CQPIPYBTMUTFKX-UHFFFAOYSA-N -1 3 289.297 3.014 20 0 CGADHM C[C@H](NC(=O)c1c[n-]nc1-c1ccccn1)c1ccsc1 ZINC000685845995 544101466 /nfs/dbraw/zinc/10/14/66/544101466.db2.gz MOUBXLVYWBDJOS-JTQLQIEISA-N -1 3 298.371 3.024 20 0 CGADHM CSc1nnc(NC(=O)CCCC2CCCCC2)[n-]1 ZINC000354769936 227094567 /nfs/dbraw/zinc/09/45/67/227094567.db2.gz INUWCTOYRLGKQI-UHFFFAOYSA-N -1 3 282.413 3.216 20 0 CGADHM CSc1n[n-]c(NC(=O)CCCC2CCCCC2)n1 ZINC000354769936 227094569 /nfs/dbraw/zinc/09/45/69/227094569.db2.gz INUWCTOYRLGKQI-UHFFFAOYSA-N -1 3 282.413 3.216 20 0 CGADHM CSc1nc(NC(=O)CCCC2CCCCC2)n[n-]1 ZINC000354769936 227094573 /nfs/dbraw/zinc/09/45/73/227094573.db2.gz INUWCTOYRLGKQI-UHFFFAOYSA-N -1 3 282.413 3.216 20 0 CGADHM C[C@@H]1CN(CC2CCC(C(C)(C)C)CC2)C[C@H](C(=O)[O-])O1 ZINC000652509847 418976480 /nfs/dbraw/zinc/97/64/80/418976480.db2.gz LNEJOJPHIRBDSE-XSCHDIRWSA-N -1 3 297.439 3.013 20 0 CGADHM Cc1c2ccccc2nc(CN2CCC[C@H](C)C2)c1C(=O)[O-] ZINC000652366685 418958193 /nfs/dbraw/zinc/95/81/93/418958193.db2.gz ITCRONWUONXQBC-LBPRGKRZSA-N -1 3 298.386 3.473 20 0 CGADHM CCO[C@@H](CC)c1noc(-c2cc(C)cc(OC)c2[O-])n1 ZINC000665037691 419042757 /nfs/dbraw/zinc/04/27/57/419042757.db2.gz CASDVIBATITNLY-NSHDSACASA-N -1 3 292.335 3.247 20 0 CGADHM Cc1ccccc1C(F)(F)C[N-]c1nnc(C2CC2)o1 ZINC000664559389 418977646 /nfs/dbraw/zinc/97/76/46/418977646.db2.gz FIGNPAUXZRCIGD-UHFFFAOYSA-N -1 3 279.290 3.459 20 0 CGADHM Cc1ccc(C(=O)N2CCC23CCCC3)c([O-])c1C ZINC000652571858 418981282 /nfs/dbraw/zinc/98/12/82/418981282.db2.gz MVOIJPTZLMFLTA-UHFFFAOYSA-N -1 3 259.349 3.168 20 0 CGADHM CC[C@@H]1CCC[C@H](C)N1Cc1cc(C)c(C(=O)[O-])o1 ZINC000659804564 418996918 /nfs/dbraw/zinc/99/69/18/418996918.db2.gz ZPBINNSSMXNUSQ-NWDGAFQWSA-N -1 3 265.353 3.439 20 0 CGADHM COc1ccc(-c2ccccc2C)cc1CN[C@H](C)C(=O)[O-] ZINC000665336700 419113767 /nfs/dbraw/zinc/11/37/67/419113767.db2.gz RFOLFBCHLOBQNU-CYBMUJFWSA-N -1 3 299.370 3.233 20 0 CGADHM O=c1cc(CSc2nc3ccccc3o2)nc(C2CC2)[n-]1 ZINC000665685544 419151041 /nfs/dbraw/zinc/15/10/41/419151041.db2.gz OYXYMSDDWRFMJI-UHFFFAOYSA-N -1 3 299.355 3.493 20 0 CGADHM CCc1cccc2cc(CN[C@@H]3C=C[C@H](C(=O)[O-])C3)oc21 ZINC000656566096 419184323 /nfs/dbraw/zinc/18/43/23/419184323.db2.gz DCGGBLVIGWUYRB-UONOGXRCSA-N -1 3 285.343 3.114 20 0 CGADHM O=C([O-])C[C@H](NCc1ccccc1C1CC1)c1ccncc1 ZINC000656569282 419184519 /nfs/dbraw/zinc/18/45/19/419184519.db2.gz NLEJTNNCVAWRPS-KRWDZBQOSA-N -1 3 296.370 3.265 20 0 CGADHM C[C@@H](c1ccccc1)[C@@H](NCc1ccc(Cl)o1)C(=O)[O-] ZINC000656569782 419184667 /nfs/dbraw/zinc/18/46/67/419184667.db2.gz TXGSPZRGAFJJKD-IINYFYTJSA-N -1 3 293.750 3.280 20 0 CGADHM CC(C)(C)c1nc(C=Cc2ccnn2CC2CC2)cc(=O)[n-]1 ZINC000656614242 419187328 /nfs/dbraw/zinc/18/73/28/419187328.db2.gz XONDFHRVODWQTR-SREVYHEPSA-N -1 3 298.390 3.257 20 0 CGADHM O=C([O-])C[C@@H]1CCCN(CCCc2c(F)cccc2F)C1 ZINC000655919778 419126885 /nfs/dbraw/zinc/12/68/85/419126885.db2.gz FGKCVAZCKTUBHL-LBPRGKRZSA-N -1 3 297.345 3.084 20 0 CGADHM Cc1ccc(CN2CC[C@@H](C)[C@H](C(=O)[O-])C2)c(Cl)c1 ZINC000655927298 419127501 /nfs/dbraw/zinc/12/75/01/419127501.db2.gz HAXFLLOLVKYALX-DGCLKSJQSA-N -1 3 281.783 3.191 20 0 CGADHM COc1cccc(CN(C)[C@H](CC(C)C)C(=O)[O-])c1Cl ZINC000656756196 419209552 /nfs/dbraw/zinc/20/95/52/419209552.db2.gz IGCOIWMLWJDWRJ-GFCCVEGCSA-N -1 3 299.798 3.280 20 0 CGADHM O=C([O-])c1ccc(CN2CCC(c3ccco3)CC2)cc1 ZINC000656757512 419209977 /nfs/dbraw/zinc/20/99/77/419209977.db2.gz PSTZORBRESMGSN-UHFFFAOYSA-N -1 3 285.343 3.357 20 0 CGADHM COc1cccc(CN2CCC(C)(C(=O)[O-])CC2)c1Cl ZINC000656756231 419210048 /nfs/dbraw/zinc/21/00/48/419210048.db2.gz JBWSBBIQJBPOSM-UHFFFAOYSA-N -1 3 297.782 3.035 20 0 CGADHM Cc1ccc2c(c1)CN([C@H](C(=O)[O-])c1ccsc1)CC2 ZINC000656758320 419211230 /nfs/dbraw/zinc/21/12/30/419211230.db2.gz FPLMNUUFMGFXBG-HNNXBMFYSA-N -1 3 287.384 3.241 20 0 CGADHM Cc1cccc([C@@H]2CCCN2Cc2cccc(C(=O)[O-])c2)n1 ZINC000666573596 419226853 /nfs/dbraw/zinc/22/68/53/419226853.db2.gz XMPVWNKTCHPZAG-KRWDZBQOSA-N -1 3 296.370 3.425 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N2CCC(c3ccco3)CC2)n1 ZINC000661161286 419235837 /nfs/dbraw/zinc/23/58/37/419235837.db2.gz PGKMTKQBRZKDGO-LBPRGKRZSA-N -1 3 287.363 3.024 20 0 CGADHM Cc1cc(C)cc(CNCc2nc(C)ccc2[O-])c1 ZINC000657625660 419315749 /nfs/dbraw/zinc/31/57/49/419315749.db2.gz AQMKBAZERFZZCA-UHFFFAOYSA-N -1 3 256.349 3.002 20 0 CGADHM [O-]c1cccc(CNC[C@H]2CC23CC3)c1Br ZINC000418090147 228025974 /nfs/dbraw/zinc/02/59/74/228025974.db2.gz DHOLERGTTSVMCQ-SNVBAGLBSA-N -1 3 282.181 3.044 20 0 CGADHM CC(C)c1cccc(CS(=O)(=O)c2cccc([O-])c2)c1 ZINC000663247838 419528922 /nfs/dbraw/zinc/52/89/22/419528922.db2.gz IOSBSNPOPWJUGW-UHFFFAOYSA-N -1 3 290.384 3.490 20 0 CGADHM O=C(c1cc([O-])ccc1Cl)N1CC2CCC1CC2 ZINC000311151146 304499922 /nfs/dbraw/zinc/49/99/22/304499922.db2.gz VVWXEDGXVKKDPY-UHFFFAOYSA-N -1 3 265.740 3.060 20 0 CGADHM CC[C@@H](CSC)N(C)Cc1csc(C(=O)[O-])c1 ZINC000521886571 260223815 /nfs/dbraw/zinc/22/38/15/260223815.db2.gz CDCUPRPEGDNNSE-JTQLQIEISA-N -1 3 273.423 3.020 20 0 CGADHM CC(C)(CNC(=O)c1cccc([O-])c1)c1ccccc1F ZINC000182278839 262278432 /nfs/dbraw/zinc/27/84/32/262278432.db2.gz AQBUJXVUEDPTRH-UHFFFAOYSA-N -1 3 287.334 3.239 20 0 CGADHM O=C(Nc1ccccc1OC(F)F)c1cccc([O-])c1 ZINC000037326260 270029246 /nfs/dbraw/zinc/02/92/46/270029246.db2.gz RTNAONPWYDBKAS-UHFFFAOYSA-N -1 3 279.242 3.246 20 0 CGADHM CC[C@@H](NC(=O)c1cc(OC)ccc1[O-])c1cccs1 ZINC000042266346 270032277 /nfs/dbraw/zinc/03/22/77/270032277.db2.gz VZUDGAQBEBSXKC-GFCCVEGCSA-N -1 3 291.372 3.343 20 0 CGADHM Cc1cc(C)cc(C[C@@H](C)NC(=O)c2cccc([O-])c2)c1 ZINC000182516671 270054179 /nfs/dbraw/zinc/05/41/79/270054179.db2.gz XNQGOMZFYCMXFM-CQSZACIVSA-N -1 3 283.371 3.370 20 0 CGADHM CC(C)[C@H]1C[C@@H]1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000185387656 270062695 /nfs/dbraw/zinc/06/26/95/270062695.db2.gz RNUPYZCULKCFMG-ZJUUUORDSA-N -1 3 253.729 3.276 20 0 CGADHM C[C@H]1CCN(Cc2cccc(Cl)c2)[C@@H](C(=O)[O-])C1 ZINC000229294999 270088338 /nfs/dbraw/zinc/08/83/38/270088338.db2.gz LQACIRDIXAYGFQ-GXFFZTMASA-N -1 3 267.756 3.025 20 0 CGADHM CC[C@H](C)N(C)Cc1cccc([O-])c1Br ZINC000316214402 270092623 /nfs/dbraw/zinc/09/26/23/270092623.db2.gz WBJBVOWOMZPWSJ-VIFPVBQESA-N -1 3 272.186 3.385 20 0 CGADHM CCC[C@H](NC(=O)c1ccc([O-])c(C)c1)C1CCC1 ZINC000325275096 270094980 /nfs/dbraw/zinc/09/49/80/270094980.db2.gz NINQCCBNCCTBIV-AWEZNQCLSA-N -1 3 261.365 3.399 20 0 CGADHM C[C@@H](C(=O)[N-][C@@H](C(C)(C)C)C(F)(F)F)C(F)(F)F ZINC000524772073 270114836 /nfs/dbraw/zinc/11/48/36/270114836.db2.gz MPEBCNWZEHYJSK-FSPLSTOPSA-N -1 3 279.224 3.278 20 0 CGADHM CO[C@H]1CCC[C@H](CC(=O)Nc2cccc([O-])c2F)C1 ZINC000526009639 270122451 /nfs/dbraw/zinc/12/24/51/270122451.db2.gz VJYVCIANOHDYRP-QWRGUYRKSA-N -1 3 281.327 3.065 20 0 CGADHM Cc1cccc(C)c1[C@H](C)NC(=O)c1cccc2nn[n-]c21 ZINC000527114411 270125699 /nfs/dbraw/zinc/12/56/99/270125699.db2.gz SLXCEVICADDQIX-LBPRGKRZSA-N -1 3 294.358 3.066 20 0 CGADHM Cc1cccc(C)c1[C@H](C)NC(=O)c1cccc2[n-]nnc21 ZINC000527114411 270125700 /nfs/dbraw/zinc/12/57/00/270125700.db2.gz SLXCEVICADDQIX-LBPRGKRZSA-N -1 3 294.358 3.066 20 0 CGADHM Cc1cccc(C)c1[C@H](C)NC(=O)c1cccc2n[n-]nc21 ZINC000527114411 270125701 /nfs/dbraw/zinc/12/57/01/270125701.db2.gz SLXCEVICADDQIX-LBPRGKRZSA-N -1 3 294.358 3.066 20 0 CGADHM O=C(NC1CCCCC1)c1cc([O-])cc(Br)c1 ZINC000527634612 270130315 /nfs/dbraw/zinc/13/03/15/270130315.db2.gz BHMNPXNZMQGWBA-UHFFFAOYSA-N -1 3 298.180 3.217 20 0 CGADHM CC[C@@H]1CCN(C(=O)c2cc([O-])cc(Br)c2)C1 ZINC000528814040 270173671 /nfs/dbraw/zinc/17/36/71/270173671.db2.gz NIVIQXJKAQPXKT-SECBINFHSA-N -1 3 298.180 3.027 20 0 CGADHM O=C([O-])c1ccc(F)c2c1CN(CC1CCCC1)CC2 ZINC000530168156 270195517 /nfs/dbraw/zinc/19/55/17/270195517.db2.gz IXJYTLHGONLCBT-UHFFFAOYSA-N -1 3 277.339 3.072 20 0 CGADHM O=C([O-])c1cccc(CN[C@@H](c2ccccn2)C2CCC2)c1 ZINC000530251810 270197671 /nfs/dbraw/zinc/19/76/71/270197671.db2.gz JOXKCXLWJLGLDJ-QGZVFWFLSA-N -1 3 296.370 3.411 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)[C@@H]2[C@H](C)[C@H]2C2CC2)c1-c1ccccc1 ZINC000530262059 270197952 /nfs/dbraw/zinc/19/79/52/270197952.db2.gz JKKUNKMBBQKMMC-WKPIXPDZSA-N -1 3 295.386 3.038 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)[C@H]2CCCC23CC3)c1-c1ccccc1 ZINC000530262724 270197999 /nfs/dbraw/zinc/19/79/99/270197999.db2.gz YHHBHCRJKVTREW-CQSZACIVSA-N -1 3 295.386 3.326 20 0 CGADHM CCc1cccc(C(=O)N2CC[C@H]2Cc2ccccc2)c1[O-] ZINC000531198359 270205383 /nfs/dbraw/zinc/20/53/83/270205383.db2.gz ZGKOAABXSQNMPC-INIZCTEOSA-N -1 3 295.382 3.412 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])c1ccc2c(n1)CCCC2 ZINC000532760284 270219005 /nfs/dbraw/zinc/21/90/05/270219005.db2.gz ITRNSPIUXGJXBP-UHFFFAOYSA-N -1 3 286.306 3.057 20 0 CGADHM Cc1ccc(C(=O)N2[C@H](C)C[C@H]3CCCC[C@H]32)c([O-])c1 ZINC000246728597 287718580 /nfs/dbraw/zinc/71/85/80/287718580.db2.gz HBIXRTYYHZSHKM-UMVBOHGHSA-N -1 3 273.376 3.494 20 0 CGADHM O=C(/C=C\c1ccc(Cl)nc1)Nc1cc(F)ccc1[O-] ZINC000254983012 287853282 /nfs/dbraw/zinc/85/32/82/287853282.db2.gz KDJCUTQAINVEGM-KXFIGUGUSA-N -1 3 292.697 3.232 20 0 CGADHM CCc1cc2c([n-]c(-c3ccc(Cl)cn3)nc2=O)s1 ZINC000086963646 276663891 /nfs/dbraw/zinc/66/38/91/276663891.db2.gz IVAAUTBGYXRBFC-UHFFFAOYSA-N -1 3 291.763 3.262 20 0 CGADHM COc1cc(C(=O)N2CCCC3(CCCC3)C2)ccc1[O-] ZINC000334650023 277367945 /nfs/dbraw/zinc/36/79/45/277367945.db2.gz BMTGQFWNBUKEGD-UHFFFAOYSA-N -1 3 289.375 3.197 20 0 CGADHM C[C@@H]1c2ccccc2CN1C(=O)c1ccccc1[O-] ZINC000436581524 278108634 /nfs/dbraw/zinc/10/86/34/278108634.db2.gz GADOYSDOYVZINB-LLVKDONJSA-N -1 3 253.301 3.109 20 0 CGADHM C[C@@H]1CN(C(=O)c2cccc([O-])c2)[C@H]2CCCC[C@@H]12 ZINC000248384404 288045786 /nfs/dbraw/zinc/04/57/86/288045786.db2.gz DTCQPGLQJRQMKY-UGFHNGPFSA-N -1 3 259.349 3.043 20 0 CGADHM O=c1cc(CN[C@H](c2ccccc2)C2CC2)nc(C2CC2)[n-]1 ZINC000459387235 288087245 /nfs/dbraw/zinc/08/72/45/288087245.db2.gz MRKGGGIWHVEQIX-QGZVFWFLSA-N -1 3 295.386 3.301 20 0 CGADHM CC(C)C[C@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC000163060825 279206554 /nfs/dbraw/zinc/20/65/54/279206554.db2.gz WFKMSGYGRKSPHL-CYBMUJFWSA-N -1 3 261.365 3.433 20 0 CGADHM CC[C@H]1CC[C@H](C)N1C(=O)c1c[n-]c2ccc(C)cc2c1=O ZINC000342564642 288243746 /nfs/dbraw/zinc/24/37/46/288243746.db2.gz IGSANCUTVORMSV-STQMWFEESA-N -1 3 298.386 3.240 20 0 CGADHM Cc1ccc2[nH]c3c(c2c1)C[C@H]([N-]C(=O)C(F)(F)F)CC3 ZINC000374896442 281032634 /nfs/dbraw/zinc/03/26/34/281032634.db2.gz KVWVVVITNKLSOC-SECBINFHSA-N -1 3 296.292 3.012 20 0 CGADHM CCSCC[C@@H](C)NC(=O)c1cccc(CC)c1[O-] ZINC000530957622 288320740 /nfs/dbraw/zinc/32/07/40/288320740.db2.gz QUEOSEIEQSSIBY-LLVKDONJSA-N -1 3 281.421 3.216 20 0 CGADHM CCc1ccc(C(=O)N2[C@H](C)CC[C@H]2CC)c([O-])c1 ZINC000436841524 281399699 /nfs/dbraw/zinc/39/96/99/281399699.db2.gz AZXOIXILKAMCKS-DGCLKSJQSA-N -1 3 261.365 3.358 20 0 CGADHM CCc1cccc(C(=O)N2CCc3cc(F)ccc3C2)c1[O-] ZINC000536652298 288492131 /nfs/dbraw/zinc/49/21/31/288492131.db2.gz VEQUQGMZNJHPRX-UHFFFAOYSA-N -1 3 299.345 3.292 20 0 CGADHM C[C@@H]1CN(C(=O)Cc2ccc([O-])cc2Cl)CC(C)(C)C1 ZINC000542442082 288751724 /nfs/dbraw/zinc/75/17/24/288751724.db2.gz KQXCXHGZEYKBBP-NSHDSACASA-N -1 3 295.810 3.483 20 0 CGADHM CC[C@@](C)([N-]S(=O)(=O)c1cccc(C)c1)C(F)(F)F ZINC000548146659 288993055 /nfs/dbraw/zinc/99/30/55/288993055.db2.gz SSXWTIOLGRLGJC-LLVKDONJSA-N -1 3 295.326 3.004 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCC[C@@H](C(C)C)CC2)n1 ZINC000580520029 335090682 /nfs/dbraw/zinc/09/06/82/335090682.db2.gz KNNJNNPGQUTZIN-ZIAGYGMSSA-N -1 3 277.412 3.310 20 0 CGADHM CCc1cc(C(=O)N[C@H]2CCC[C@H](C)C2)ccc1[O-] ZINC000553300426 289218326 /nfs/dbraw/zinc/21/83/26/289218326.db2.gz KXCNMAZVBXCEQY-FZMZJTMJSA-N -1 3 261.365 3.263 20 0 CGADHM CCc1cccc(C(=O)NCC2(C(F)(F)F)CC2)c1[O-] ZINC000553536416 289228861 /nfs/dbraw/zinc/22/88/61/289228861.db2.gz CQYWJVOEVSZRFE-UHFFFAOYSA-N -1 3 287.281 3.027 20 0 CGADHM CCc1ncncc1C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000554588811 289295897 /nfs/dbraw/zinc/29/58/97/289295897.db2.gz UXSUPLZMVRMVSA-UHFFFAOYSA-N -1 3 299.374 3.294 20 0 CGADHM C[C@@H]1CC=CC[C@H]1c1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000555473633 289346472 /nfs/dbraw/zinc/34/64/72/289346472.db2.gz ZCSUWRXMMWNRFJ-MWLCHTKSSA-N -1 3 281.319 3.078 20 0 CGADHM CCc1ccc([O-])c(C(=O)NCc2nc3ccccc3o2)c1 ZINC000556971952 289426734 /nfs/dbraw/zinc/42/67/34/289426734.db2.gz LOMAHPBLWKNYEL-UHFFFAOYSA-N -1 3 296.326 3.026 20 0 CGADHM CC(C)CCC[C@@H](C)NC(=O)N=c1cc2ccccn2[n-]1 ZINC000558463662 289497978 /nfs/dbraw/zinc/49/79/78/289497978.db2.gz HFXDVTVPXDRKHA-CYBMUJFWSA-N -1 3 288.395 3.093 20 0 CGADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CC2(C1)CCCC2 ZINC000436824581 304507035 /nfs/dbraw/zinc/50/70/35/304507035.db2.gz CCCQVMZCUAHWNT-UHFFFAOYSA-N -1 3 285.387 3.287 20 0 CGADHM O=C(c1cccc([O-])c1)N1CCSC[C@H]1c1ccccc1 ZINC000182454147 304548911 /nfs/dbraw/zinc/54/89/11/304548911.db2.gz YLMHHIBSESGRTM-INIZCTEOSA-N -1 3 299.395 3.323 20 0 CGADHM Cc1cc(C(=O)N2C[C@@H](C)CCC[C@H]2C)ccc1[O-] ZINC000436903998 301118692 /nfs/dbraw/zinc/11/86/92/301118692.db2.gz OQFUYAZVRLEFPZ-WCQYABFASA-N -1 3 261.365 3.351 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CC(C)(C)[C@@H]2c2cccnc2)c1 ZINC000293743459 301650166 /nfs/dbraw/zinc/65/01/66/301650166.db2.gz LPWSZNNKBRWBQE-INIZCTEOSA-N -1 3 296.370 3.319 20 0 CGADHM Cc1cccc2c1ncc(C)c2N1CCC(C(=O)[O-])CC1 ZINC000263510754 302067688 /nfs/dbraw/zinc/06/76/88/302067688.db2.gz NHLCOMAXWGKWGS-UHFFFAOYSA-N -1 3 284.359 3.153 20 0 CGADHM Cc1nc2ccccc2c(N(C)C[C@@H](C)C(=O)[O-])c1C ZINC000263562350 302665257 /nfs/dbraw/zinc/66/52/57/302665257.db2.gz SOZQYKGSQCTYAM-SNVBAGLBSA-N -1 3 272.348 3.009 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CC[C@H](C)[C@H](C)C2)c1 ZINC000153778045 321727335 /nfs/dbraw/zinc/72/73/35/321727335.db2.gz IMBMFHQVTSRRQL-NWDGAFQWSA-N -1 3 261.365 3.073 20 0 CGADHM Cc1cc([C@H](C)N2CCCO[C@H](C(C)C)C2)oc1C(=O)[O-] ZINC000563822450 322011835 /nfs/dbraw/zinc/01/18/35/322011835.db2.gz SDPXUYPKSVWENT-JSGCOSHPSA-N -1 3 295.379 3.094 20 0 CGADHM CSc1ccc(NC(=O)c2ccc([O-])c(C)c2)cn1 ZINC000564361162 322029038 /nfs/dbraw/zinc/02/90/38/322029038.db2.gz PJMKEYZQHMBUTN-UHFFFAOYSA-N -1 3 274.345 3.070 20 0 CGADHM CC(C)CN(C)Cc1cc(C(=O)[O-])ccc1Cl ZINC000564461907 322031973 /nfs/dbraw/zinc/03/19/73/322031973.db2.gz JUPOHNCWDHLPQD-UHFFFAOYSA-N -1 3 255.745 3.126 20 0 CGADHM COCc1ccc([C@H]2CCCN2CCCCCC(=O)[O-])o1 ZINC000565107641 322061177 /nfs/dbraw/zinc/06/11/77/322061177.db2.gz RDLAAOUQUABUHX-CQSZACIVSA-N -1 3 295.379 3.208 20 0 CGADHM C[C@H](C(=O)Nc1c([O-])cccc1Cl)C1CCC1 ZINC000565198153 322066092 /nfs/dbraw/zinc/06/60/92/322066092.db2.gz CNDUCICGRATPAO-QMMMGPOBSA-N -1 3 253.729 3.420 20 0 CGADHM CCC(CC)N(C(=O)Cc1ccc([O-])c(F)c1)C1CC1 ZINC000566049529 322101834 /nfs/dbraw/zinc/10/18/34/322101834.db2.gz DNXHKEMRSCTCQI-UHFFFAOYSA-N -1 3 279.355 3.253 20 0 CGADHM C[C@H]1CC(C)(C)CN1Cc1ccc(C(=O)[O-])cc1F ZINC000566683488 322134484 /nfs/dbraw/zinc/13/44/84/322134484.db2.gz DJXYNAGSIKGIDH-JTQLQIEISA-N -1 3 265.328 3.144 20 0 CGADHM COc1ccc([C@H](C)N(C)Cc2ccoc2C(=O)[O-])cc1 ZINC000568059596 322190666 /nfs/dbraw/zinc/19/06/66/322190666.db2.gz FXRCWLYDKURWKB-NSHDSACASA-N -1 3 289.331 3.179 20 0 CGADHM C[C@H](C1CC1)N(Cc1ccc(C(=O)[O-])cc1F)C1CC1 ZINC000568061679 322190693 /nfs/dbraw/zinc/19/06/93/322190693.db2.gz NMXMNRQVOINUKW-SNVBAGLBSA-N -1 3 277.339 3.287 20 0 CGADHM CC1(C)CCCN1Cc1cc(C(=O)[O-])ccc1Cl ZINC000568062738 322191032 /nfs/dbraw/zinc/19/10/32/322191032.db2.gz NDRGRMMSWIWFQE-UHFFFAOYSA-N -1 3 267.756 3.413 20 0 CGADHM CCC[C@]1(C)CCCN(Cc2ccc(C(=O)[O-])o2)C1 ZINC000568062518 322191192 /nfs/dbraw/zinc/19/11/92/322191192.db2.gz FZHRXGDITYIJTD-OAHLLOKOSA-N -1 3 265.353 3.380 20 0 CGADHM C[C@H]1CN([C@@H](C(=O)[O-])c2ccccc2)Cc2ccccc2O1 ZINC000568290992 322204238 /nfs/dbraw/zinc/20/42/38/322204238.db2.gz XNQNVECECKVSLW-SUMWQHHRSA-N -1 3 297.354 3.095 20 0 CGADHM C[C@@H](CNCc1ccc(-c2ccc(Cl)cc2)o1)C(=O)[O-] ZINC000568372301 322206045 /nfs/dbraw/zinc/20/60/45/322206045.db2.gz KDTYKLNRFQLVNM-JTQLQIEISA-N -1 3 293.750 3.410 20 0 CGADHM CC[C@H](c1ccc(F)cc1F)N1CC[C@@H](C(=O)[O-])[C@@H]1C ZINC000569855790 322258967 /nfs/dbraw/zinc/25/89/67/322258967.db2.gz APQREHJUYGPZOG-DRCTWCGVSA-N -1 3 283.318 3.211 20 0 CGADHM O=C([O-])CCCCCN1CC[C@@H](c2c(F)cccc2F)C1 ZINC000570933711 322286005 /nfs/dbraw/zinc/28/60/05/322286005.db2.gz LQRLAFCMLWYJQE-GFCCVEGCSA-N -1 3 297.345 3.399 20 0 CGADHM Cc1cc(F)ccc1Cc1noc(-c2ccccc2[O-])n1 ZINC000572229948 322326266 /nfs/dbraw/zinc/32/62/66/322326266.db2.gz SHOOQENEYPQKOC-UHFFFAOYSA-N -1 3 284.290 3.481 20 0 CGADHM Cc1ccc(F)c(CN(C)Cc2nc(C)ccc2[O-])c1 ZINC000572707555 322350729 /nfs/dbraw/zinc/35/07/29/322350729.db2.gz GWPBERXGBWYZDA-UHFFFAOYSA-N -1 3 274.339 3.175 20 0 CGADHM CO[C@@H]1CCN([C@@H](C)c2cc(C)c(C(=O)[O-])o2)CC1(C)C ZINC000572975871 322364308 /nfs/dbraw/zinc/36/43/08/322364308.db2.gz FVQHQXFQCKTOEM-WCQYABFASA-N -1 3 295.379 3.094 20 0 CGADHM CCc1cccc(CN[C@H](C(=O)[O-])c2ccccc2OC)c1 ZINC000575991985 322500157 /nfs/dbraw/zinc/50/01/57/322500157.db2.gz LDHWQDFKPPRLBW-KRWDZBQOSA-N -1 3 299.370 3.173 20 0 CGADHM CC1(C)CC(Cc2nc3ccc([O-])cc3c(=O)[nH]2)C1 ZINC000584206112 327064076 /nfs/dbraw/zinc/06/40/76/327064076.db2.gz TYIYCBQMQPNUDU-UHFFFAOYSA-N -1 3 258.321 3.020 20 0 CGADHM Cc1nn(C(C)C)cc1C(=O)Nc1ccc(C)cc1[O-] ZINC000584240358 327124450 /nfs/dbraw/zinc/12/44/50/327124450.db2.gz FGKKBNYAASZMIH-UHFFFAOYSA-N -1 3 273.336 3.039 20 0 CGADHM O=C([O-])[C@@H]1CCCC[C@@H]1NCc1cc(Cl)ccc1F ZINC000582786165 329195828 /nfs/dbraw/zinc/19/58/28/329195828.db2.gz VUGMBXDGYYTPJZ-YPMHNXCESA-N -1 3 285.746 3.212 20 0 CGADHM C[C@@H]1CCCN1[C@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000583029683 329304965 /nfs/dbraw/zinc/30/49/65/329304965.db2.gz AOTRPTBIRFKXAF-PELKAZGASA-N -1 3 271.719 3.089 20 0 CGADHM CCO[C@@H](C(=O)Nc1cc(F)ccc1[O-])c1ccccc1 ZINC000174873468 335167948 /nfs/dbraw/zinc/16/79/48/335167948.db2.gz ZOPJNBOTSMEFLL-OAHLLOKOSA-N -1 3 289.306 3.248 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])c1ccc2[nH]ccc2c1 ZINC000174876934 335168214 /nfs/dbraw/zinc/16/82/14/335168214.db2.gz IZZWRYZPVNYFOO-UHFFFAOYSA-N -1 3 270.263 3.265 20 0 CGADHM O=C(Nc1ccccc1[O-])[C@H]1SCCc2sccc21 ZINC000175085662 335173401 /nfs/dbraw/zinc/17/34/01/335173401.db2.gz FSRXONXJOMPIHW-ZDUSSCGKSA-N -1 3 291.397 3.423 20 0 CGADHM Cc1cc(CN[C@@H](C(=O)[O-])c2ccsc2)ccc1F ZINC000426785103 533714400 /nfs/dbraw/zinc/71/44/00/533714400.db2.gz VPGDPTQKLRFPBY-CYBMUJFWSA-N -1 3 279.336 3.111 20 0 CGADHM Cc1cc(CN2CC[C@](C)(c3ccccc3)C2)oc1C(=O)[O-] ZINC000576523702 335214590 /nfs/dbraw/zinc/21/45/90/335214590.db2.gz UGFAMXBFBQMHCJ-SFHVURJKSA-N -1 3 299.370 3.450 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CCC=C(c3cccnc3)C2)c1 ZINC000577011989 335281614 /nfs/dbraw/zinc/28/16/14/335281614.db2.gz CDRFICXYQOEDTO-UHFFFAOYSA-N -1 3 294.354 3.025 20 0 CGADHM CCc1cccc(C(=O)Nc2cnc(C)nc2C2CC2)c1[O-] ZINC000580657970 335314841 /nfs/dbraw/zinc/31/48/41/335314841.db2.gz FAGWNSHBCQESMW-UHFFFAOYSA-N -1 3 297.358 3.183 20 0 CGADHM Cc1cccc([O-])c1NC(=O)Cc1cccc(F)c1 ZINC000179544326 335499967 /nfs/dbraw/zinc/49/99/67/335499967.db2.gz GHVATRWBNGLXMS-UHFFFAOYSA-N -1 3 259.280 3.021 20 0 CGADHM C[C@H]1C[C@H]1c1noc(C(=O)[N-]c2ccc(Cl)c(F)c2)n1 ZINC000350407013 335504341 /nfs/dbraw/zinc/50/43/41/335504341.db2.gz MUZMTRPFBNTJBF-POYBYMJQSA-N -1 3 295.701 3.238 20 0 CGADHM Cc1c(-c2nc(-c3ccc([O-])cc3)no2)sc2nccn12 ZINC000350567486 335515102 /nfs/dbraw/zinc/51/51/02/335515102.db2.gz QUIOWKRRHRHLFR-UHFFFAOYSA-N -1 3 298.327 3.127 20 0 CGADHM [O-]c1ccc(-c2noc(-c3ccncn3)n2)c2ccccc12 ZINC000350591944 335517611 /nfs/dbraw/zinc/51/76/11/335517611.db2.gz XRTDDGHEOBGALU-UHFFFAOYSA-N -1 3 290.282 3.052 20 0 CGADHM O=C(CCOc1ccccc1)Nc1c([O-])cccc1Cl ZINC000578372757 335621989 /nfs/dbraw/zinc/62/19/89/335621989.db2.gz CPWZCRBYRVCSLN-UHFFFAOYSA-N -1 3 291.734 3.453 20 0 CGADHM CCCN(Cc1ccccc1)Cc1ccc(C(=O)[O-])cn1 ZINC000383566794 336114308 /nfs/dbraw/zinc/11/43/08/336114308.db2.gz LKFQSHNQAWEHHG-UHFFFAOYSA-N -1 3 284.359 3.192 20 0 CGADHM C[C@@H](CN(C)Cc1ccsc1C(=O)[O-])c1nccs1 ZINC000581829744 336148962 /nfs/dbraw/zinc/14/89/62/336148962.db2.gz IUSJYSYUPKUENJ-VIFPVBQESA-N -1 3 296.417 3.138 20 0 CGADHM C[C@@H](CCC(C)(C)C)NC(=O)c1ccc(O)cc1[O-] ZINC000386289665 336170252 /nfs/dbraw/zinc/17/02/52/336170252.db2.gz SPKHXSRECAOBCI-JTQLQIEISA-N -1 3 265.353 3.042 20 0 CGADHM COC(=O)c1cc(C(=O)Nc2ccc(C)cc2Cl)c[n-]1 ZINC000431243442 533744232 /nfs/dbraw/zinc/74/42/32/533744232.db2.gz CSYPJGPMUJTOKQ-UHFFFAOYSA-N -1 3 292.722 3.015 20 0 CGADHM Cc1ccc(CN[C@H](C(=O)[O-])c2ccc(F)cc2)c(C)c1 ZINC000426807066 534086375 /nfs/dbraw/zinc/08/63/75/534086375.db2.gz FSJLCUQSHQEIAG-INIZCTEOSA-N -1 3 287.334 3.358 20 0 CGADHM Cc1ccc([O-])c(NC(=O)C(=O)c2ccc(Cl)s2)c1 ZINC000430280556 534199347 /nfs/dbraw/zinc/19/93/47/534199347.db2.gz ASWJOOUSDKHJCH-UHFFFAOYSA-N -1 3 295.747 3.237 20 0 CGADHM Cc1ccc(-c2nc(CCc3ccco3)no2)c([O-])c1C ZINC000436952882 534212984 /nfs/dbraw/zinc/21/29/84/534212984.db2.gz YNWWTEKHTPBCEL-UHFFFAOYSA-N -1 3 284.315 3.437 20 0 CGADHM Cc1ccc(C(=O)NCC(C)(C)c2ncccc2C)c([O-])c1 ZINC000436612405 534264860 /nfs/dbraw/zinc/26/48/60/534264860.db2.gz MZJYRDYZHQACSO-UHFFFAOYSA-N -1 3 298.386 3.112 20 0 CGADHM Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1ccccc1[O-] ZINC000436676500 534415733 /nfs/dbraw/zinc/41/57/33/534415733.db2.gz QASAYVLOZTXVIQ-HNNXBMFYSA-N -1 3 267.328 3.118 20 0 CGADHM [O-]c1cc(F)cc(CN[C@H]2C[C@]2(F)c2ccccc2)c1 ZINC000424204883 534447672 /nfs/dbraw/zinc/44/76/72/534447672.db2.gz VRFHJJIVJZIUQL-HOTGVXAUSA-N -1 3 275.298 3.258 20 0 CGADHM [O-]c1ccc(-c2noc(-c3ccon3)n2)c2ccccc12 ZINC000436611574 534449379 /nfs/dbraw/zinc/44/93/79/534449379.db2.gz LDSQVYJXHSZURG-UHFFFAOYSA-N -1 3 279.255 3.250 20 0 CGADHM O=C([O-])[C@@H]1CC[C@H](NCc2csc(Cl)c2Cl)C1 ZINC000424613217 534525027 /nfs/dbraw/zinc/52/50/27/534525027.db2.gz GKRJMLSYZYQHIC-SVRRBLITSA-N -1 3 294.203 3.398 20 0 CGADHM O=C([O-])c1cccc(CNCc2cccc3cc[nH]c32)c1 ZINC000426697015 534549669 /nfs/dbraw/zinc/54/96/69/534549669.db2.gz RNIUDEVYZWJRSG-UHFFFAOYSA-N -1 3 280.327 3.156 20 0 CGADHM CCCc1ncc(C(=O)[N-]c2c(C)noc2CC)s1 ZINC000089396071 521551916 /nfs/dbraw/zinc/55/19/16/521551916.db2.gz LHYXFLCSKFGPDU-UHFFFAOYSA-N -1 3 279.365 3.207 20 0 CGADHM CCCN(CC(=O)[O-])Cc1cccc(Cl)c1Cl ZINC000086775818 521559800 /nfs/dbraw/zinc/55/98/00/521559800.db2.gz UWRRNUUBPMZGEF-UHFFFAOYSA-N -1 3 276.163 3.290 20 0 CGADHM Cc1cccc(C(=O)N(C)[C@H]2CCC(C)(C)C2)c1[O-] ZINC000436911709 534584856 /nfs/dbraw/zinc/58/48/56/534584856.db2.gz FZOUUBNSROKFBE-LBPRGKRZSA-N -1 3 261.365 3.351 20 0 CGADHM Cc1cccc(C(=O)Nc2ccnn2[C@@H](C)C2CC2)c1[O-] ZINC000193124649 534627725 /nfs/dbraw/zinc/62/77/25/534627725.db2.gz AVXMMDDVVSELSZ-NSHDSACASA-N -1 3 285.347 3.120 20 0 CGADHM C[C@H]1C[C@H](C)CN(Cc2cc(C(=O)[O-])ccc2F)C1 ZINC000062749636 524885862 /nfs/dbraw/zinc/88/58/62/524885862.db2.gz OSDGJTQOFVFTQQ-QWRGUYRKSA-N -1 3 265.328 3.002 20 0 CGADHM Cc1cccc([C@H]2CCCN2C(=O)c2cccc(C)c2[O-])n1 ZINC000151000768 524892323 /nfs/dbraw/zinc/89/23/23/524892323.db2.gz CETWUEOZGYIDIU-MRXNPFEDSA-N -1 3 296.370 3.381 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)Sc2nnc(C(C)(C)C)o2)n1 ZINC000155939368 525347813 /nfs/dbraw/zinc/34/78/13/525347813.db2.gz GXHDRWGRGIARBZ-MRVPVSSYSA-N -1 3 294.380 3.024 20 0 CGADHM CC(=O)c1cccc(NC(=O)CCCC(C)C)c1[O-] ZINC000514604106 534890431 /nfs/dbraw/zinc/89/04/31/534890431.db2.gz BJZNJYBFGGJASV-UHFFFAOYSA-N -1 3 263.337 3.360 20 0 CGADHM CC(C)(C)c1ncc(CNCCCCCC(=O)[O-])s1 ZINC000426684991 526881376 /nfs/dbraw/zinc/88/13/76/526881376.db2.gz DYNQTFCSCUYMEV-UHFFFAOYSA-N -1 3 284.425 3.175 20 0 CGADHM CC(C)CC[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000158340752 527821024 /nfs/dbraw/zinc/82/10/24/527821024.db2.gz XDZVXXKEGXSVJJ-ZDUSSCGKSA-N -1 3 261.365 3.433 20 0 CGADHM CC(C)CC[C@H](C)NC(=O)Cc1ccc([O-])c(F)c1 ZINC000448637039 527837022 /nfs/dbraw/zinc/83/70/22/527837022.db2.gz GQTKRHZCIIRIKI-NSHDSACASA-N -1 3 267.344 3.015 20 0 CGADHM CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1ccccc1[O-] ZINC000436572888 527875486 /nfs/dbraw/zinc/87/54/86/527875486.db2.gz IALFXALTHHVLGI-GXTWGEPZSA-N -1 3 261.365 3.433 20 0 CGADHM CCCN(CC(=O)[O-])[C@H](C)c1cc2ccccc2o1 ZINC000083662674 527899381 /nfs/dbraw/zinc/89/93/81/527899381.db2.gz PXWGATCMMLTSJD-LLVKDONJSA-N -1 3 261.321 3.290 20 0 CGADHM CCCN(CC(C)C)C(=O)c1ccc([O-])c(CC)c1 ZINC000436688028 527927977 /nfs/dbraw/zinc/92/79/77/527927977.db2.gz SJVDCPQFHXNCDK-UHFFFAOYSA-N -1 3 263.381 3.463 20 0 CGADHM CCC[C@H](C)[C@H]1CCCN1C(=O)c1csc(=NCC)[n-]1 ZINC000427118739 528080311 /nfs/dbraw/zinc/08/03/11/528080311.db2.gz AVGUPJIGAQKCEJ-WCQYABFASA-N -1 3 295.452 3.038 20 0 CGADHM CCC[C@H](C)c1cc(NC(=O)c2ccc(C)cc2[O-])n[nH]1 ZINC000439893110 528083897 /nfs/dbraw/zinc/08/38/97/528083897.db2.gz JJTVDRPOUGKXJI-NSHDSACASA-N -1 3 287.363 3.002 20 0 CGADHM CC(C)c1cccc(CNC(=O)c2ccc3n[n-]nc3c2)c1 ZINC000358830752 528170049 /nfs/dbraw/zinc/17/00/49/528170049.db2.gz NUXDQDBZHNGZEF-UHFFFAOYSA-N -1 3 294.358 3.011 20 0 CGADHM CCC[C@](C)(CC)C(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000411296413 528453167 /nfs/dbraw/zinc/45/31/67/528453167.db2.gz VSVJWBWALZPXRJ-AWEZNQCLSA-N -1 3 276.340 3.220 20 0 CGADHM CCC[C@](C)(CC)C(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000411296413 528453173 /nfs/dbraw/zinc/45/31/73/528453173.db2.gz VSVJWBWALZPXRJ-AWEZNQCLSA-N -1 3 276.340 3.220 20 0 CGADHM CCC[C@](C)(CC)C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000411296413 528453182 /nfs/dbraw/zinc/45/31/82/528453182.db2.gz VSVJWBWALZPXRJ-AWEZNQCLSA-N -1 3 276.340 3.220 20 0 CGADHM CCOc1ccc(CNC(=O)c2ccc([O-])c(C)c2)cc1 ZINC000436931460 528454603 /nfs/dbraw/zinc/45/46/03/528454603.db2.gz JPVKRBYJMPXVPG-UHFFFAOYSA-N -1 3 285.343 3.029 20 0 CGADHM CCCCOc1ccc(C(=O)N2CCC[C@@H]2CF)c([O-])c1 ZINC000436714906 528659323 /nfs/dbraw/zinc/65/93/23/528659323.db2.gz NLMVGUXSVSQQKS-GFCCVEGCSA-N -1 3 295.354 3.145 20 0 CGADHM CCCCOc1ccc(C(=O)N2C[C@H](C)[C@@H]2C)c([O-])c1 ZINC000436635208 528661822 /nfs/dbraw/zinc/66/18/22/528661822.db2.gz NCZPAPILZYUWEP-RYUDHWBXSA-N -1 3 277.364 3.052 20 0 CGADHM CCCCOc1ccc(C(=O)N[C@H]2CC[C@@H](F)C2)c([O-])c1 ZINC000436743978 528668231 /nfs/dbraw/zinc/66/82/31/528668231.db2.gz ILJNHCGWXGJGQO-NEPJUHHUSA-N -1 3 295.354 3.192 20 0 CGADHM CCC[C@@H](C)C[C@H](NCc1cc(F)ccc1F)C(=O)[O-] ZINC000426820420 528881633 /nfs/dbraw/zinc/88/16/33/528881633.db2.gz LEIQYKYCALFOIF-YGRLFVJLSA-N -1 3 285.334 3.334 20 0 CGADHM CCC[C@@H](C)[C@@H]1CCCN1C(=O)c1ccc(OC)cc1[O-] ZINC000436600854 528903528 /nfs/dbraw/zinc/90/35/28/528903528.db2.gz GKDMYWOMUMBSBS-DOMZBBRYSA-N -1 3 291.391 3.442 20 0 CGADHM CC(C)[C@H](C)N(C)C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436756722 528957666 /nfs/dbraw/zinc/95/76/66/528957666.db2.gz DNJKNAVFPDNKDM-LBPRGKRZSA-N -1 3 275.392 3.388 20 0 CGADHM CCN(C(=O)c1ccc(C)cc1[O-])C1CC(C)(C)C1 ZINC000413987911 529080750 /nfs/dbraw/zinc/08/07/50/529080750.db2.gz OOOHVWQPLLQOQW-UHFFFAOYSA-N -1 3 261.365 3.351 20 0 CGADHM CC1(C)C[C@@H](NC(=O)c2c([O-])cccc2O)c2ccccc21 ZINC000436648688 529138470 /nfs/dbraw/zinc/13/84/70/529138470.db2.gz QNWYXMIQKVAYSR-CYBMUJFWSA-N -1 3 297.354 3.250 20 0 CGADHM CCS[C@H]1CCCC[C@@H]1NC(=O)c1ccc([O-])c(C)c1 ZINC000436924397 529226433 /nfs/dbraw/zinc/22/64/33/529226433.db2.gz GRSKVSYPSRAZFX-ZFWWWQNUSA-N -1 3 293.432 3.495 20 0 CGADHM CCS[C@H]1CC[C@@H](N(C)C(=O)c2ccccc2[O-])C1 ZINC000175392291 529233055 /nfs/dbraw/zinc/23/30/55/529233055.db2.gz MUWQKBHZBQGMEG-NEPJUHHUSA-N -1 3 279.405 3.138 20 0 CGADHM CC[C@@H]1CC[C@H](C)N(C(=O)c2ccc(C(C)=O)c([O-])c2)C1 ZINC000412403774 529341366 /nfs/dbraw/zinc/34/13/66/529341366.db2.gz QOABBMGXPWGNAS-WCQYABFASA-N -1 3 289.375 3.246 20 0 CGADHM CC(C)Sc1ccccc1NC([O-])=NOCC(C)(C)O ZINC000278648659 535121381 /nfs/dbraw/zinc/12/13/81/535121381.db2.gz VZFSUEDAIJBDTM-UHFFFAOYSA-N -1 3 298.408 3.011 20 0 CGADHM CC(C)Sc1ccccc1NC(=O)[N-]OCC(C)(C)O ZINC000278648659 535121385 /nfs/dbraw/zinc/12/13/85/535121385.db2.gz VZFSUEDAIJBDTM-UHFFFAOYSA-N -1 3 298.408 3.011 20 0 CGADHM O=C(Nc1ccc(-c2c[nH]cn2)cc1)c1cc2occc2[n-]1 ZINC000750828972 572329209 /nfs/dbraw/zinc/32/92/09/572329209.db2.gz KBXUORQZMUHCQK-UHFFFAOYSA-N -1 3 292.298 3.403 20 0 CGADHM O=C(Nc1ccnn1C1CCCC1)c1cc2occc2[n-]1 ZINC000750864283 572330591 /nfs/dbraw/zinc/33/05/91/572330591.db2.gz IVFHBRVFDVJMKQ-UHFFFAOYSA-N -1 3 284.319 3.325 20 0 CGADHM O=C([O-])[C@H]1CN(CCC2CCCC2)Cc2ccccc21 ZINC000379908337 572331713 /nfs/dbraw/zinc/33/17/13/572331713.db2.gz NANXKGINFCURJA-INIZCTEOSA-N -1 3 273.376 3.251 20 0 CGADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)C1CCCCCCC1 ZINC000738152672 572365319 /nfs/dbraw/zinc/36/53/19/572365319.db2.gz WVRKIEBQTPNSQR-UHFFFAOYSA-N -1 3 299.378 3.166 20 0 CGADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)C1CCCCCCC1 ZINC000738152672 572365321 /nfs/dbraw/zinc/36/53/21/572365321.db2.gz WVRKIEBQTPNSQR-UHFFFAOYSA-N -1 3 299.378 3.166 20 0 CGADHM CC[C@@H](C)OC(=O)c1cc(-c2cccs2)[n-]n1 ZINC000738611724 572382542 /nfs/dbraw/zinc/38/25/42/572382542.db2.gz IKRJERFPOHOWOE-MRVPVSSYSA-N -1 3 250.323 3.094 20 0 CGADHM CC[C@@H](C)OC(=O)c1cc(-c2cccs2)n[n-]1 ZINC000738611724 572382545 /nfs/dbraw/zinc/38/25/45/572382545.db2.gz IKRJERFPOHOWOE-MRVPVSSYSA-N -1 3 250.323 3.094 20 0 CGADHM C[C@H](NC(=O)[O-])C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000739012887 572394730 /nfs/dbraw/zinc/39/47/30/572394730.db2.gz ATFAKXXIBDDNMF-NSHDSACASA-N -1 3 296.798 3.208 20 0 CGADHM Cc1ccc([C@H]2CCCCN2C[C@H]2CCN(C(=O)[O-])C2)o1 ZINC000740116602 572433065 /nfs/dbraw/zinc/43/30/65/572433065.db2.gz BECYLRXZCPSSTF-ZIAGYGMSSA-N -1 3 292.379 3.115 20 0 CGADHM O=C(OCc1ccc(Cl)cc1Cl)c1cncc([O-])c1 ZINC000731916233 572435712 /nfs/dbraw/zinc/43/57/12/572435712.db2.gz SOOXJBFZKJRKDW-UHFFFAOYSA-N -1 3 298.125 3.451 20 0 CGADHM O=C([O-])NC[C@@H](NCc1ccsc1)C1CCCCC1 ZINC000740614920 572447882 /nfs/dbraw/zinc/44/78/82/572447882.db2.gz VIUZOIYHRGFQLP-CYBMUJFWSA-N -1 3 282.409 3.054 20 0 CGADHM O=C([N-]c1cc(F)c(F)c(F)c1)c1scnc1Cl ZINC000741195315 572488737 /nfs/dbraw/zinc/48/87/37/572488737.db2.gz XDWFDHZFTYIQHV-UHFFFAOYSA-N -1 3 292.669 3.466 20 0 CGADHM O=c1ccnc(C=Cc2csc(Br)c2)[n-]1 ZINC000742219921 572559428 /nfs/dbraw/zinc/55/94/28/572559428.db2.gz IRJHASKOBMUWHZ-OWOJBTEDSA-N -1 3 283.150 3.177 20 0 CGADHM Cc1cccc(CC(=O)Nc2n[n-]c(-c3cccs3)n2)c1 ZINC000726798424 572598728 /nfs/dbraw/zinc/59/87/28/572598728.db2.gz VISUWRZOHMZDNA-UHFFFAOYSA-N -1 3 298.371 3.023 20 0 CGADHM CC(C)[C@H](C)CNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735701014 572738105 /nfs/dbraw/zinc/73/81/05/572738105.db2.gz JFYDCUCUDHXGIG-SECBINFHSA-N -1 3 279.775 3.224 20 0 CGADHM CC(C)[C@H](C)CNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735701014 572738108 /nfs/dbraw/zinc/73/81/08/572738108.db2.gz JFYDCUCUDHXGIG-SECBINFHSA-N -1 3 279.775 3.224 20 0 CGADHM C[C@@H](SCc1ccco1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736190665 572771216 /nfs/dbraw/zinc/77/12/16/572771216.db2.gz GKHNPXJGCAMZIO-SNVBAGLBSA-N -1 3 286.360 3.454 20 0 CGADHM C[C@@H](SCc1ccco1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736190665 572771218 /nfs/dbraw/zinc/77/12/18/572771218.db2.gz GKHNPXJGCAMZIO-SNVBAGLBSA-N -1 3 286.360 3.454 20 0 CGADHM CC1(C)CCN(c2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000736210962 572772647 /nfs/dbraw/zinc/77/26/47/572772647.db2.gz KCNBELAFOHNUTH-UHFFFAOYSA-N -1 3 291.786 3.147 20 0 CGADHM CC1(C)CCN(c2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000736210962 572772651 /nfs/dbraw/zinc/77/26/51/572772651.db2.gz KCNBELAFOHNUTH-UHFFFAOYSA-N -1 3 291.786 3.147 20 0 CGADHM C[C@H]1CCC[C@H]1Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000736262602 572778060 /nfs/dbraw/zinc/77/80/60/572778060.db2.gz NLWJJKXLZVAZGF-GZMMTYOYSA-N -1 3 277.759 3.121 20 0 CGADHM C[C@H]1CCC[C@H]1Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000736262602 572778065 /nfs/dbraw/zinc/77/80/65/572778065.db2.gz NLWJJKXLZVAZGF-GZMMTYOYSA-N -1 3 277.759 3.121 20 0 CGADHM C[C@@H]1CCCN(c2ccc(Cl)cc2-c2nnn[n-]2)CC1 ZINC000736279292 572778961 /nfs/dbraw/zinc/77/89/61/572778961.db2.gz XIOPZTYSKONZPU-SNVBAGLBSA-N -1 3 291.786 3.147 20 0 CGADHM C[C@@H]1CCCN(c2ccc(Cl)cc2-c2nn[n-]n2)CC1 ZINC000736279292 572778964 /nfs/dbraw/zinc/77/89/64/572778964.db2.gz XIOPZTYSKONZPU-SNVBAGLBSA-N -1 3 291.786 3.147 20 0 CGADHM CC[C@@H](C)CN(C)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736322629 572782123 /nfs/dbraw/zinc/78/21/23/572782123.db2.gz MPSNPISDLUKXHX-SECBINFHSA-N -1 3 279.775 3.002 20 0 CGADHM CC[C@@H](C)CN(C)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736322629 572782124 /nfs/dbraw/zinc/78/21/24/572782124.db2.gz MPSNPISDLUKXHX-SECBINFHSA-N -1 3 279.775 3.002 20 0 CGADHM CCC(CC)CNc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000736345904 572783607 /nfs/dbraw/zinc/78/36/07/572783607.db2.gz NXMZRQNSKQFPAK-UHFFFAOYSA-N -1 3 296.378 3.263 20 0 CGADHM CCC(CC)CNc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000736345904 572783610 /nfs/dbraw/zinc/78/36/10/572783610.db2.gz NXMZRQNSKQFPAK-UHFFFAOYSA-N -1 3 296.378 3.263 20 0 CGADHM COC(=O)Nc1ccc(C(=O)OCCC(C)(C)C)cc1[O-] ZINC000745651801 572828440 /nfs/dbraw/zinc/82/84/40/572828440.db2.gz DPLVAIJHQIINLK-UHFFFAOYSA-N -1 3 295.335 3.164 20 0 CGADHM Cc1cnc([N-]C(=O)c2c(C)noc2C(F)(F)F)s1 ZINC000746018093 572847454 /nfs/dbraw/zinc/84/74/54/572847454.db2.gz USPZBNXUCDWSPI-UHFFFAOYSA-N -1 3 291.254 3.019 20 0 CGADHM O=c1ccnc(C=Cc2cccc(-c3ccccn3)c2)[n-]1 ZINC000747694522 572941568 /nfs/dbraw/zinc/94/15/68/572941568.db2.gz YTUSOLOSZDTNDM-FPLPWBNLSA-N -1 3 275.311 3.415 20 0 CGADHM Cc1noc(C)c1[N-]C(=O)c1ccc(Cl)nc1Cl ZINC000748637065 572981669 /nfs/dbraw/zinc/98/16/69/572981669.db2.gz SOVJLCXETFSROR-UHFFFAOYSA-N -1 3 286.118 3.246 20 0 CGADHM Cc1ccc([C@@H](C)C(=O)Nc2cc(F)ccc2[O-])o1 ZINC000748854739 572986909 /nfs/dbraw/zinc/98/69/09/572986909.db2.gz YAZZWMHADAMXGK-SECBINFHSA-N -1 3 263.268 3.175 20 0 CGADHM COc1cc(OC)cc(Oc2nc3ccccc3c(=O)[n-]2)c1 ZINC000750530166 573146407 /nfs/dbraw/zinc/14/64/07/573146407.db2.gz GXZZIAGJFURAAZ-UHFFFAOYSA-N -1 3 298.298 3.145 20 0 CGADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)cc1)Cc1cccs1 ZINC000820274621 599040313 /nfs/dbraw/zinc/04/03/13/599040313.db2.gz JRPRRERHTPGCSM-LLVKDONJSA-N -1 3 299.403 3.219 20 0 CGADHM CC[C@H](C)C[C@H](C)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC000820870324 599067269 /nfs/dbraw/zinc/06/72/69/599067269.db2.gz QNJPIMBZGRRWSW-IUCAKERBSA-N -1 3 294.790 3.152 20 0 CGADHM CC[C@H](C)C[C@H](C)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC000820870324 599067272 /nfs/dbraw/zinc/06/72/72/599067272.db2.gz QNJPIMBZGRRWSW-IUCAKERBSA-N -1 3 294.790 3.152 20 0 CGADHM O=C([O-])c1cccc(CNCc2nccc3ccccc32)c1 ZINC000821552743 598194258 /nfs/dbraw/zinc/19/42/58/598194258.db2.gz QGFHWJKRWQXXQM-UHFFFAOYSA-N -1 3 292.338 3.223 20 0 CGADHM Clc1cccc(-c2nnn[n-]2)c1NCc1ccccc1 ZINC000737576090 598628843 /nfs/dbraw/zinc/62/88/43/598628843.db2.gz ULGIUSOCRUVETF-UHFFFAOYSA-N -1 3 285.738 3.132 20 0 CGADHM Clc1cccc(-c2nn[n-]n2)c1NCc1ccccc1 ZINC000737576090 598628845 /nfs/dbraw/zinc/62/88/45/598628845.db2.gz ULGIUSOCRUVETF-UHFFFAOYSA-N -1 3 285.738 3.132 20 0 CGADHM c1cnc(N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)c(-c2nnn[n-]2)c1 ZINC000823809019 599435638 /nfs/dbraw/zinc/43/56/38/599435638.db2.gz HRCRNWRNTCOOFO-JHJVBQTASA-N -1 3 298.394 3.033 20 0 CGADHM c1cnc(N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)c(-c2nn[n-]n2)c1 ZINC000823809019 599435640 /nfs/dbraw/zinc/43/56/40/599435640.db2.gz HRCRNWRNTCOOFO-JHJVBQTASA-N -1 3 298.394 3.033 20 0 CGADHM CC[C@H](C)CN(C)c1c(Cl)cccc1-c1nnn[n-]1 ZINC000820870083 599546875 /nfs/dbraw/zinc/54/68/75/599546875.db2.gz MPEXLJJOPSGSQN-VIFPVBQESA-N -1 3 279.775 3.002 20 0 CGADHM CC[C@H](C)CN(C)c1c(Cl)cccc1-c1nn[n-]n1 ZINC000820870083 599546876 /nfs/dbraw/zinc/54/68/76/599546876.db2.gz MPEXLJJOPSGSQN-VIFPVBQESA-N -1 3 279.775 3.002 20 0 CGADHM Clc1cccc(-c2nnn[n-]2)c1N[C@@H]1CC=CCC1 ZINC000822582145 599565062 /nfs/dbraw/zinc/56/50/62/599565062.db2.gz QVVPEKAIZMHBMD-SECBINFHSA-N -1 3 275.743 3.041 20 0 CGADHM Clc1cccc(-c2nn[n-]n2)c1N[C@@H]1CC=CCC1 ZINC000822582145 599565064 /nfs/dbraw/zinc/56/50/64/599565064.db2.gz QVVPEKAIZMHBMD-SECBINFHSA-N -1 3 275.743 3.041 20 0 CGADHM CCCN(C(=O)[O-])[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000737008359 599702539 /nfs/dbraw/zinc/70/25/39/599702539.db2.gz HMXZAMNTUYGPHA-OAHLLOKOSA-N -1 3 276.380 3.041 20 0 CGADHM C/C(=C/CN1CCS[C@H](C)[C@@H]1c1ccccc1)C(=O)[O-] ZINC000825745600 601055184 /nfs/dbraw/zinc/05/51/84/601055184.db2.gz ANPRWXCITFQSLX-MKGJVGOLSA-N -1 3 291.416 3.196 20 0 CGADHM CCCN(C/C=C(/C)C(=O)[O-])Cc1ccccc1F ZINC000829486672 601159869 /nfs/dbraw/zinc/15/98/69/601159869.db2.gz IGIXJXJUFIXOHA-WQLSENKSSA-N -1 3 265.328 3.069 20 0 CGADHM COc1ccc(C)cc1[C@@H](C)N[C@@H](C(=O)[O-])c1ccccc1 ZINC000315179710 601457396 /nfs/dbraw/zinc/45/73/96/601457396.db2.gz IORXIKCTUGXJFB-CXAGYDPISA-N -1 3 299.370 3.480 20 0 CGADHM C[C@H](c1ccc(Cl)cc1)N1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000739179159 602766043 /nfs/dbraw/zinc/76/60/43/602766043.db2.gz VHOLMKPEWLIIQH-GYSYKLTISA-N -1 3 296.798 3.379 20 0 CGADHM O=C([O-])N(CC1CC1)C1CCN(Cc2ccccc2)CC1 ZINC000831826134 604234365 /nfs/dbraw/zinc/23/43/65/604234365.db2.gz KZWNKFIJLBRYTO-UHFFFAOYSA-N -1 3 288.391 3.041 20 0 CGADHM Cc1ccc(-c2nc(CNC(C)(C)CC(=O)[O-])cs2)o1 ZINC000832909365 604443848 /nfs/dbraw/zinc/44/38/48/604443848.db2.gz ZMBZWZYOXODZTJ-UHFFFAOYSA-N -1 3 294.376 3.054 20 0 CGADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2cccnc2Cl)C1 ZINC000833419916 604945328 /nfs/dbraw/zinc/94/53/28/604945328.db2.gz JTEGQGSAENTHMS-GFCCVEGCSA-N -1 3 296.798 3.058 20 0 CGADHM C[C@H]1CCc2ccccc2[C@@H]1NCc1ccoc1C(=O)[O-] ZINC000833617853 605122906 /nfs/dbraw/zinc/12/29/06/605122906.db2.gz WRCNYDOKKRHIGA-XHDPSFHLSA-N -1 3 285.343 3.391 20 0 CGADHM C[C@H]1c2ccccc2CN1c1ccc(F)cc1-c1nnn[n-]1 ZINC000820827664 606137640 /nfs/dbraw/zinc/13/76/40/606137640.db2.gz VOCWEMYHHXBLQC-JTQLQIEISA-N -1 3 295.321 3.087 20 0 CGADHM C[C@H]1c2ccccc2CN1c1ccc(F)cc1-c1nn[n-]n1 ZINC000820827664 606137641 /nfs/dbraw/zinc/13/76/41/606137641.db2.gz VOCWEMYHHXBLQC-JTQLQIEISA-N -1 3 295.321 3.087 20 0 CGADHM Fc1cccc(SCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822791227 606627652 /nfs/dbraw/zinc/62/76/52/606627652.db2.gz FRIPHYNTVGGMAG-UHFFFAOYSA-N -1 3 286.335 3.298 20 0 CGADHM Fc1cccc(SCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822791227 606627654 /nfs/dbraw/zinc/62/76/54/606627654.db2.gz FRIPHYNTVGGMAG-UHFFFAOYSA-N -1 3 286.335 3.298 20 0 CGADHM Cc1cc(Cl)ccc1NCc1cccc(-c2nnn[n-]2)c1 ZINC000822202309 606635926 /nfs/dbraw/zinc/63/59/26/606635926.db2.gz VEKOESORZJEKNQ-UHFFFAOYSA-N -1 3 299.765 3.441 20 0 CGADHM Cc1cc(Cl)ccc1NCc1cccc(-c2nn[n-]n2)c1 ZINC000822202309 606635927 /nfs/dbraw/zinc/63/59/27/606635927.db2.gz VEKOESORZJEKNQ-UHFFFAOYSA-N -1 3 299.765 3.441 20 0 CGADHM FC(F)(F)c1ccc(NC2CC=CC2)c(-c2nnn[n-]2)c1 ZINC000822723641 607119813 /nfs/dbraw/zinc/11/98/13/607119813.db2.gz JBHGWFFLGHSWNA-UHFFFAOYSA-N -1 3 295.268 3.016 20 0 CGADHM FC(F)(F)c1ccc(NC2CC=CC2)c(-c2nn[n-]n2)c1 ZINC000822723641 607119815 /nfs/dbraw/zinc/11/98/15/607119815.db2.gz JBHGWFFLGHSWNA-UHFFFAOYSA-N -1 3 295.268 3.016 20 0 CGADHM C[C@H](COc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000820287357 607237042 /nfs/dbraw/zinc/23/70/42/607237042.db2.gz LBEXIMGVFQHKBC-LLVKDONJSA-N -1 3 298.321 3.188 20 0 CGADHM C[C@H](COc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000820287357 607237043 /nfs/dbraw/zinc/23/70/43/607237043.db2.gz LBEXIMGVFQHKBC-LLVKDONJSA-N -1 3 298.321 3.188 20 0 CGADHM CCSCCS[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825673754 608403977 /nfs/dbraw/zinc/40/39/77/608403977.db2.gz AHTDGDOKZGYEBN-JTQLQIEISA-N -1 3 294.449 3.414 20 0 CGADHM CCSCCS[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825673754 608403979 /nfs/dbraw/zinc/40/39/79/608403979.db2.gz AHTDGDOKZGYEBN-JTQLQIEISA-N -1 3 294.449 3.414 20 0 CGADHM CCCC[C@H](CCC)Nc1cnccc1-c1nnn[n-]1 ZINC000825260853 608789225 /nfs/dbraw/zinc/78/92/25/608789225.db2.gz RVRWEEFOGNYGIN-NSHDSACASA-N -1 3 274.372 3.033 20 0 CGADHM CCCC[C@H](CCC)Nc1cnccc1-c1nn[n-]n1 ZINC000825260853 608789228 /nfs/dbraw/zinc/78/92/28/608789228.db2.gz RVRWEEFOGNYGIN-NSHDSACASA-N -1 3 274.372 3.033 20 0 CGADHM CCc1ccc(CNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000037102057 608869359 /nfs/dbraw/zinc/86/93/59/608869359.db2.gz GNLQIAZPAYSBQQ-UHFFFAOYSA-N -1 3 279.347 3.041 20 0 CGADHM CCc1ccc(CNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000037102057 608869361 /nfs/dbraw/zinc/86/93/61/608869361.db2.gz GNLQIAZPAYSBQQ-UHFFFAOYSA-N -1 3 279.347 3.041 20 0 CGADHM CCN(Cc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000825435242 609165641 /nfs/dbraw/zinc/16/56/41/609165641.db2.gz RBQIFRMGDBEKGZ-UHFFFAOYSA-N -1 3 297.337 3.032 20 0 CGADHM CCN(Cc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000825435242 609165643 /nfs/dbraw/zinc/16/56/43/609165643.db2.gz RBQIFRMGDBEKGZ-UHFFFAOYSA-N -1 3 297.337 3.032 20 0 CGADHM Cc1occc1SCc1ccc(-c2nnn[n-]2)cc1 ZINC000826342692 609179183 /nfs/dbraw/zinc/17/91/83/609179183.db2.gz WHDXYKMXHQXCMY-UHFFFAOYSA-N -1 3 272.333 3.060 20 0 CGADHM Cc1occc1SCc1ccc(-c2nn[n-]n2)cc1 ZINC000826342692 609179184 /nfs/dbraw/zinc/17/91/84/609179184.db2.gz WHDXYKMXHQXCMY-UHFFFAOYSA-N -1 3 272.333 3.060 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)NC1(C2CCCCC2)CC1 ZINC000891274991 618075025 /nfs/dbraw/zinc/07/50/25/618075025.db2.gz BKIJDZGIXOMTOQ-UHFFFAOYSA-N -1 3 291.366 3.303 20 0 CGADHM O=C(CCCOCc1ccccc1)[N-]OCc1ccccc1 ZINC000050553601 618120405 /nfs/dbraw/zinc/12/04/05/618120405.db2.gz KZVVVNLSRSWBHI-UHFFFAOYSA-N -1 3 299.370 3.231 20 0 CGADHM C[C@H](c1ccc(C(=O)[O-])o1)N1CCC(C(F)F)CC1 ZINC000307874749 618153678 /nfs/dbraw/zinc/15/36/78/618153678.db2.gz PYWZYRSXOSTBHV-MRVPVSSYSA-N -1 3 273.279 3.016 20 0 CGADHM CC[C@@H](CC(=O)[N-]OCC(C)C)c1ccc(OC)cc1 ZINC000153503829 618820377 /nfs/dbraw/zinc/82/03/77/618820377.db2.gz FACRUVUFZVDRAF-ZDUSSCGKSA-N -1 3 279.380 3.283 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)CCCOc1ccc(F)cc1 ZINC000794870077 619778763 /nfs/dbraw/zinc/77/87/63/619778763.db2.gz KLUCBLYWEHWDNG-LBPRGKRZSA-N -1 3 283.343 3.079 20 0 CGADHM CC(C)(C)c1nnc([N-][C@H]2c3ccccc3OC[C@H]2F)o1 ZINC000895555950 619849688 /nfs/dbraw/zinc/84/96/88/619849688.db2.gz RKKJYZITIZQZKX-PWSUYJOCSA-N -1 3 291.326 3.251 20 0 CGADHM Cc1ccc(-c2nc(CCCCF)no2)c([O-])c1 ZINC000897207782 620161416 /nfs/dbraw/zinc/16/14/16/620161416.db2.gz RPLYHGQDMGXZBA-UHFFFAOYSA-N -1 3 250.273 3.043 20 0 CGADHM Cc1ccc(C(=O)N2COCC[C@@H]2c2ccccc2)c([O-])c1 ZINC000888189849 620332232 /nfs/dbraw/zinc/33/22/32/620332232.db2.gz ATEJEXLQFABDJZ-MRXNPFEDSA-N -1 3 297.354 3.262 20 0 CGADHM CCc1cc(C(=O)[N-]c2cc(C3(C)CCCC3)on2)no1 ZINC000897598012 620406555 /nfs/dbraw/zinc/40/65/55/620406555.db2.gz ZWRPJDJAXOQNFP-UHFFFAOYSA-N -1 3 289.335 3.309 20 0 CGADHM O=C(C[C@@H]1CCC2(CCC2)O1)Nc1c([O-])cccc1Cl ZINC000897846421 620438731 /nfs/dbraw/zinc/43/87/31/620438731.db2.gz JNBFALYGVREEHX-JTQLQIEISA-N -1 3 295.766 3.476 20 0 CGADHM CC[C@H]1CCC[C@]1(C)C(=O)[N-]OCc1cccc(C)n1 ZINC000898928934 620608598 /nfs/dbraw/zinc/60/85/98/620608598.db2.gz MPDLHFBLXJMCOG-BBRMVZONSA-N -1 3 276.380 3.154 20 0 CGADHM C/C(=C(\F)C(=O)Nc1cc(F)ccc1[O-])C1CC1 ZINC000901221330 620846676 /nfs/dbraw/zinc/84/66/76/620846676.db2.gz HSCVVTRATYRINX-KPKJPENVSA-N -1 3 253.248 3.123 20 0 CGADHM C[C@@]1(C(=O)[O-])CCCN(Cc2cnc(C3CCC3)s2)C1 ZINC000901694080 620991550 /nfs/dbraw/zinc/99/15/50/620991550.db2.gz FHCZYQMJRSNRMQ-OAHLLOKOSA-N -1 3 294.420 3.097 20 0 CGADHM Cc1cnc(CN[C@H](CCC(=O)[O-])CC2CCCCC2)o1 ZINC000901905221 621065616 /nfs/dbraw/zinc/06/56/16/621065616.db2.gz XAPMMNBSLTVUQF-CQSZACIVSA-N -1 3 294.395 3.276 20 0 CGADHM Cc1ccc(CCN[C@@H](C)c2ncc(C(=O)[O-])s2)cc1 ZINC000901908588 621066928 /nfs/dbraw/zinc/06/69/28/621066928.db2.gz VOEJXVOWMCBEIJ-NSHDSACASA-N -1 3 290.388 3.043 20 0 CGADHM CCc1ccc(CN(C)[C@@H](CC(C)C)C(=O)[O-])s1 ZINC000902018879 621104664 /nfs/dbraw/zinc/10/46/64/621104664.db2.gz KEPIUKNGLZEELY-ZDUSSCGKSA-N -1 3 269.410 3.242 20 0 CGADHM Cc1ccc(CNCc2ccc(O[C@@H](C)C(=O)[O-])cc2)cc1 ZINC000902060081 621132684 /nfs/dbraw/zinc/13/26/84/621132684.db2.gz KOMWBVQDRRMZHO-AWEZNQCLSA-N -1 3 299.370 3.137 20 0 CGADHM C[C@H](CC(C)(C)CC(=O)[O-])N[C@H]1C[C@]1(F)c1ccccc1 ZINC000902340889 621253852 /nfs/dbraw/zinc/25/38/52/621253852.db2.gz KXGZXVZRPJXDMV-IFIJOSMWSA-N -1 3 293.382 3.493 20 0 CGADHM CC[C@@H](CC(F)(F)F)NCc1cc(C)c(C(=O)[O-])o1 ZINC000902335762 621270888 /nfs/dbraw/zinc/27/08/88/621270888.db2.gz JKDHFOMPTHXZMT-QMMMGPOBSA-N -1 3 279.258 3.107 20 0 CGADHM CC(C)Cc1ccccc1CNCc1ccoc1C(=O)[O-] ZINC000902353086 621285703 /nfs/dbraw/zinc/28/57/03/621285703.db2.gz ADZGOYMLZNZZNO-UHFFFAOYSA-N -1 3 287.359 3.466 20 0 CGADHM Cc1cccc2c1CCC[C@H]2NCc1ccc(C(=O)[O-])o1 ZINC000902464669 621337878 /nfs/dbraw/zinc/33/78/78/621337878.db2.gz JQQCPVIYXQFDNI-OAHLLOKOSA-N -1 3 285.343 3.453 20 0 CGADHM CC(C)(C)OC1CCN(Cc2ccc(C(=O)[O-])s2)CC1 ZINC000903670923 621786682 /nfs/dbraw/zinc/78/66/82/621786682.db2.gz SPEPXWBAJWJFRP-UHFFFAOYSA-N -1 3 297.420 3.226 20 0 CGADHM C[C@@H]1CCC[C@H]([C@H](CNCc2cscn2)CC(=O)[O-])C1 ZINC000904033110 621856335 /nfs/dbraw/zinc/85/63/35/621856335.db2.gz QRCLBYBENYVJEZ-AGIUHOORSA-N -1 3 296.436 3.150 20 0 CGADHM [O-]c1cc(-c2ccc(CN3CCOCC3)cc2)ccc1F ZINC000904798393 621994225 /nfs/dbraw/zinc/99/42/25/621994225.db2.gz GOTXPBWOFVTADC-UHFFFAOYSA-N -1 3 287.334 3.031 20 0 CGADHM Cc1ccc([C@@H](NCc2ccc(C(=O)[O-])cn2)C2CC2)cc1 ZINC000905718778 622098327 /nfs/dbraw/zinc/09/83/27/622098327.db2.gz MVRHHTCKSPRTBI-QGZVFWFLSA-N -1 3 296.370 3.329 20 0 CGADHM O=c1cc(-c2nc([C@@H]3CCC[C@H]4C[C@H]43)no2)nc(C2CC2)[n-]1 ZINC000906126532 622154044 /nfs/dbraw/zinc/15/40/44/622154044.db2.gz MPAREFCDFQFLOL-HBNTYKKESA-N -1 3 298.346 3.013 20 0 CGADHM COc1cccc([O-])c1C(=O)N(C)[C@@H]1CCC(C)(C)C1 ZINC000907914266 622317663 /nfs/dbraw/zinc/31/76/63/622317663.db2.gz TURFYJCSMWLGSA-LLVKDONJSA-N -1 3 277.364 3.052 20 0 CGADHM CC(C)CO[N-]C(=O)C1(Cc2ccc(Cl)cc2)CC1 ZINC000770826508 625604272 /nfs/dbraw/zinc/60/42/72/625604272.db2.gz IYYCKHIOBKBKMF-UHFFFAOYSA-N -1 3 281.783 3.367 20 0 CGADHM Cc1ccc(-c2cc(C(=O)OCC3CCCC3)n[n-]2)o1 ZINC000918506425 624350618 /nfs/dbraw/zinc/35/06/18/624350618.db2.gz DYZREJMAUXQSPX-UHFFFAOYSA-N -1 3 274.320 3.325 20 0 CGADHM Cc1ccc(-c2cc(C(=O)OCC3CCCC3)[n-]n2)o1 ZINC000918506425 624350622 /nfs/dbraw/zinc/35/06/22/624350622.db2.gz DYZREJMAUXQSPX-UHFFFAOYSA-N -1 3 274.320 3.325 20 0 CGADHM CCOC(C)(C)C/N=C/c1cc(Cl)ccc1[O-] ZINC000186945332 626083025 /nfs/dbraw/zinc/08/30/25/626083025.db2.gz ULHSJOUWTCOULV-OVCLIPMQSA-N -1 3 255.745 3.280 20 0 CGADHM O=C([N-]c1ccon1)c1ncoc1-c1ccccc1Cl ZINC000179527608 624662290 /nfs/dbraw/zinc/66/22/90/624662290.db2.gz BXVJKSBRYKGDMC-UHFFFAOYSA-N -1 3 289.678 3.235 20 0 CGADHM CC(C)C[C@H](C)OC(=O)Cc1ccc([O-])c(F)c1 ZINC000838146360 626196929 /nfs/dbraw/zinc/19/69/29/626196929.db2.gz ROCCVEXCEUIMFT-JTQLQIEISA-N -1 3 254.301 3.052 20 0 CGADHM CC(C)CCCCCCNC(=O)c1ccc(N)cc1[O-] ZINC000751027865 626374529 /nfs/dbraw/zinc/37/45/29/626374529.db2.gz DSAHSHQVWKPTCE-UHFFFAOYSA-N -1 3 278.396 3.311 20 0 CGADHM CC[C@H](NC(=O)c1ccc(N)cc1[O-])c1ccc(C)cc1 ZINC000751443279 626390157 /nfs/dbraw/zinc/39/01/57/626390157.db2.gz JARFBGDWKBNDAC-HNNXBMFYSA-N -1 3 284.359 3.164 20 0 CGADHM Cc1nsc([N-]C(=O)c2cc3cccc(Cl)c3o2)n1 ZINC000753234306 626448390 /nfs/dbraw/zinc/44/83/90/626448390.db2.gz QAGCMDZCNCUSRL-UHFFFAOYSA-N -1 3 293.735 3.498 20 0 CGADHM Cc1ccc(C(F)(F)C(=O)Nc2nc(C)ccc2[O-])cc1 ZINC000753468710 626452340 /nfs/dbraw/zinc/45/23/40/626452340.db2.gz FHBNMTNNIDEEDQ-UHFFFAOYSA-N -1 3 292.285 3.135 20 0 CGADHM C/C(=C\c1ccccc1)CNCc1cc(C(=O)[O-])co1 ZINC000756306680 626690612 /nfs/dbraw/zinc/69/06/12/626690612.db2.gz MNCHRYIDJBKJNS-KPKJPENVSA-N -1 3 271.316 3.171 20 0 CGADHM O=C(Cc1cccc(C2CC2)c1)[N-]OCCC(F)(F)F ZINC000839732452 626778403 /nfs/dbraw/zinc/77/84/03/626778403.db2.gz XKHMJCHABKDKAE-UHFFFAOYSA-N -1 3 287.281 3.107 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)Cc1cccc(C2CC2)c1 ZINC000839777487 626787556 /nfs/dbraw/zinc/78/75/56/626787556.db2.gz SMTNLXRDFQWEQD-GFCCVEGCSA-N -1 3 261.365 3.200 20 0 CGADHM O=C(Nc1cccc([O-])c1F)C(F)=C1CCCC1 ZINC000762316714 627104917 /nfs/dbraw/zinc/10/49/17/627104917.db2.gz ONNBMZHSUSXYEG-UHFFFAOYSA-N -1 3 253.248 3.267 20 0 CGADHM COc1ccc2oc(C=Cc3nccc(=O)[n-]3)cc2c1 ZINC000763293384 627149551 /nfs/dbraw/zinc/14/95/51/627149551.db2.gz YJFBWQNGUGDRFL-HYXAFXHYSA-N -1 3 268.272 3.107 20 0 CGADHM Cc1ccc(OC(F)F)c(C=Cc2nccc(=O)[n-]2)c1 ZINC000764441273 627207806 /nfs/dbraw/zinc/20/78/06/627207806.db2.gz FRVLBBIODPVRMA-HWKANZROSA-N -1 3 278.258 3.262 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)Cc1ccc2ccccc2c1 ZINC000764551193 627211922 /nfs/dbraw/zinc/21/19/22/627211922.db2.gz DQUHBYHSOYAOBU-ZDUSSCGKSA-N -1 3 271.360 3.476 20 0 CGADHM O=C(OCCc1ccc(F)c(F)c1)c1ccc([O-])cc1 ZINC000768590786 627487693 /nfs/dbraw/zinc/48/76/93/627487693.db2.gz AZROCPSMDNKXHW-UHFFFAOYSA-N -1 3 278.254 3.070 20 0 CGADHM Cc1c(NC(=O)c2ccc(C)c(C)c2[O-])n[nH]c1C1CC1 ZINC000769751311 627575956 /nfs/dbraw/zinc/57/59/56/627575956.db2.gz GQJMHDJSVOSGDZ-UHFFFAOYSA-N -1 3 285.347 3.170 20 0 CGADHM O=C(Nc1ccc(C2CC2)cc1)c1cc2c(cc1[O-])OCO2 ZINC000772852561 627828353 /nfs/dbraw/zinc/82/83/53/627828353.db2.gz LUNGUBWYLYCRJD-UHFFFAOYSA-N -1 3 297.310 3.251 20 0 CGADHM Cc1ccc(CNC(=O)c2cc3sccc3c([O-])c2)cn1 ZINC000773823698 627917766 /nfs/dbraw/zinc/91/77/66/627917766.db2.gz PZILGSGVBQOHEW-UHFFFAOYSA-N -1 3 298.367 3.240 20 0 CGADHM CCc1ccc(CC(=O)[N-]OC2CCCCC2)cc1 ZINC000777949179 628314254 /nfs/dbraw/zinc/31/42/54/628314254.db2.gz KBSXUTJIXISFLY-UHFFFAOYSA-N -1 3 261.365 3.172 20 0 CGADHM O=C(CCc1ccccc1F)[N-]OC1CCCCC1 ZINC000777958849 628314742 /nfs/dbraw/zinc/31/47/42/628314742.db2.gz RFJSJCADAJSWIL-UHFFFAOYSA-N -1 3 265.328 3.139 20 0 CGADHM O=C([N-]OC1CCCCC1)c1c(F)cc(F)cc1F ZINC000779322241 628407551 /nfs/dbraw/zinc/40/75/51/628407551.db2.gz QZKGRLYWUCYRQY-UHFFFAOYSA-N -1 3 273.254 3.098 20 0 CGADHM O=C(OCCc1cccs1)c1cc2occc2[n-]1 ZINC000786032951 628908726 /nfs/dbraw/zinc/90/87/26/628908726.db2.gz GTHJZEIFUGYCRQ-UHFFFAOYSA-N -1 3 261.302 3.222 20 0 CGADHM CCC(=O)CCCOC(=O)CCCc1ccc([O-])c(F)c1 ZINC000787851374 629032896 /nfs/dbraw/zinc/03/28/96/629032896.db2.gz YMNYBEXEOXEITB-UHFFFAOYSA-N -1 3 296.338 3.157 20 0 CGADHM C[C@H]1CCCN(C(=O)c2cc3sccc3c([O-])c2)C1 ZINC000788260441 629043524 /nfs/dbraw/zinc/04/35/24/629043524.db2.gz AVZMUWUGNNLBHV-JTQLQIEISA-N -1 3 275.373 3.479 20 0 CGADHM O=C(CC1CCC(F)(F)CC1)[N-]OCC1CCC1 ZINC000862232569 629327841 /nfs/dbraw/zinc/32/78/41/629327841.db2.gz CCJDVSOJBQXYMO-UHFFFAOYSA-N -1 3 261.312 3.050 20 0 CGADHM C[C@H](C[C@@H]1CCOC1)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000792222756 629350404 /nfs/dbraw/zinc/35/04/04/629350404.db2.gz AHYROHHSPUDSPR-OLZOCXBDSA-N -1 3 299.370 3.090 20 0 CGADHM O=C(NCCC1CCC1)c1cc([O-])c2ccccc2c1 ZINC000792217097 629350583 /nfs/dbraw/zinc/35/05/83/629350583.db2.gz DBEILCSHLZJSOK-UHFFFAOYSA-N -1 3 269.344 3.465 20 0 CGADHM C[C@@H](C[C@H]1CCOC1)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000792222757 629350703 /nfs/dbraw/zinc/35/07/03/629350703.db2.gz AHYROHHSPUDSPR-QWHCGFSZSA-N -1 3 299.370 3.090 20 0 CGADHM C[C@H]1CCN(C(=O)c2cc([O-])c3ccccc3c2)C[C@@H]1F ZINC000792304262 629354875 /nfs/dbraw/zinc/35/48/75/629354875.db2.gz VUZINCWPHPJWFB-NHYWBVRUSA-N -1 3 287.334 3.366 20 0 CGADHM Cc1cc(C)c(/C=C\C(=O)NCc2ncccc2[O-])cc1C ZINC000792611081 629370920 /nfs/dbraw/zinc/37/09/20/629370920.db2.gz GCLLTWIADOHLEN-SREVYHEPSA-N -1 3 296.370 3.042 20 0 CGADHM CCCCC[C@@H](C)CC(=O)NCc1ncccc1[O-] ZINC000792610128 629371270 /nfs/dbraw/zinc/37/12/70/629371270.db2.gz MKFKULFZAURFBD-GFCCVEGCSA-N -1 3 264.369 3.010 20 0 CGADHM C/C(=C\CN1CCC[C@H](c2ccc(F)c(F)c2)C1)C(=O)[O-] ZINC000863471541 629580570 /nfs/dbraw/zinc/58/05/70/629580570.db2.gz VDVBYJUDQHZFCV-VKUYVZBCSA-N -1 3 295.329 3.175 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)Cc1ccccc1OC(C)C ZINC000794840936 629587166 /nfs/dbraw/zinc/58/71/66/629587166.db2.gz AYDXFRFYIPOOMZ-ZDUSSCGKSA-N -1 3 279.380 3.110 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)C[C@@H]1CCc2ccccc21 ZINC000794842099 629587175 /nfs/dbraw/zinc/58/71/75/629587175.db2.gz HWDTWFHSAKEWKA-OCCSQVGLSA-N -1 3 261.365 3.200 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)C[C@H](C)c1ccc(F)cc1 ZINC000794875092 629593073 /nfs/dbraw/zinc/59/30/73/629593073.db2.gz LSAVWMWMBSVGNM-RYUDHWBXSA-N -1 3 267.344 3.413 20 0 CGADHM O=C1[N-]C(=O)/C(=C\c2ccc(C(F)F)cc2)c2ccccc21 ZINC000794938812 629603216 /nfs/dbraw/zinc/60/32/16/629603216.db2.gz NOZUYWULODKALX-ZROIWOOFSA-N -1 3 299.276 3.435 20 0 CGADHM CC[C@@H](Cc1cn(C)c2ccccc12)[N-]C(=O)C(F)(F)F ZINC000864493664 629846304 /nfs/dbraw/zinc/84/63/04/629846304.db2.gz FNXQWQCTLJHBPY-NSHDSACASA-N -1 3 298.308 3.178 20 0 CGADHM O=C(C[C@@H]1CCC(F)(F)C1)Nc1cccc([O-])c1F ZINC000797963720 630009863 /nfs/dbraw/zinc/00/98/63/630009863.db2.gz TXTDRBXKLXDJLV-QMMMGPOBSA-N -1 3 273.254 3.295 20 0 CGADHM CC(C)[C@@H](Cc1ccccc1)C(=O)[N-]O[C@@H]1CCCCO1 ZINC000120470556 630040362 /nfs/dbraw/zinc/04/03/62/630040362.db2.gz LYKBAXHVAVADCH-HZPDHXFCSA-N -1 3 291.391 3.076 20 0 CGADHM O=c1[n-]c(CSCC2CCCCC2)nc2c1COCC2 ZINC000865353695 630068875 /nfs/dbraw/zinc/06/88/75/630068875.db2.gz KTBPQADMQWCNOZ-UHFFFAOYSA-N -1 3 294.420 3.068 20 0 CGADHM CC1(C)CC[C@H](COC(=O)c2cccc(Cl)c2[O-])O1 ZINC000803421051 630475935 /nfs/dbraw/zinc/47/59/35/630475935.db2.gz ZQFOZURWGWGIBS-SECBINFHSA-N -1 3 284.739 3.160 20 0 CGADHM Cc1cc(=O)[n-]c(CSC/C(Cl)=C\Cl)n1 ZINC000808361353 630639018 /nfs/dbraw/zinc/63/90/18/630639018.db2.gz PETBYIGDPVYLRR-XVNBXDOJSA-N -1 3 265.165 3.043 20 0 CGADHM O=C([N-]c1cccc2nonc21)c1coc(C2CCCC2)n1 ZINC000808798902 630679315 /nfs/dbraw/zinc/67/93/15/630679315.db2.gz VYFLXQJPGWFGGE-UHFFFAOYSA-N -1 3 298.302 3.121 20 0 CGADHM Cc1ccc(CCCC(=O)[N-]OC/C=C/Cl)s1 ZINC000812402917 631245751 /nfs/dbraw/zinc/24/57/51/631245751.db2.gz YJUGDOREJPIIOC-FPYGCLRLSA-N -1 3 273.785 3.180 20 0 CGADHM C[C@H](CC(=O)[N-]OC/C=C\Cl)C1CCCCC1 ZINC000812403067 631246834 /nfs/dbraw/zinc/24/68/34/631246834.db2.gz NBSHNPVNDMLIHF-UIJKISKDSA-N -1 3 259.777 3.393 20 0 CGADHM O=C(CCCCC(=O)c1ccccc1)[N-]OC/C=C\Cl ZINC000812407346 631248845 /nfs/dbraw/zinc/24/88/45/631248845.db2.gz XBUMOHLIPLNSSN-WDZFZDKYSA-N -1 3 295.766 3.230 20 0 CGADHM O=C(CCc1ccc2ccccc2c1)[N-]OC1CCC1 ZINC000812793069 631312264 /nfs/dbraw/zinc/31/22/64/631312264.db2.gz MXSQTZQCLXSJOY-UHFFFAOYSA-N -1 3 269.344 3.373 20 0 CGADHM C[C@H](NCc1cccc([O-])c1Cl)c1ccc[nH]1 ZINC000815132620 631726429 /nfs/dbraw/zinc/72/64/29/631726429.db2.gz GEDMQRHPJGJFOX-VIFPVBQESA-N -1 3 250.729 3.225 20 0 CGADHM O=C(Nc1c([O-])cccc1Cl)c1csc2cncn21 ZINC000816768981 632048876 /nfs/dbraw/zinc/04/88/76/632048876.db2.gz PCBULIWGWTYPSN-UHFFFAOYSA-N -1 3 293.735 3.007 20 0 CGADHM Cc1csc([N-]C(=O)c2snc(Cl)c2Cl)n1 ZINC000816834450 632055841 /nfs/dbraw/zinc/05/58/41/632055841.db2.gz SEWHLRFYNFPQCZ-UHFFFAOYSA-N -1 3 294.188 3.467 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)[C@@H](c1ccccc1)N(CC)CC ZINC000816980335 632068559 /nfs/dbraw/zinc/06/85/59/632068559.db2.gz JKGKZSIYZGMIBC-GDBMZVCRSA-N -1 3 292.423 3.163 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)[C@]1(C)CCc2ccccc2C1 ZINC000816980387 632068689 /nfs/dbraw/zinc/06/86/89/632068689.db2.gz KBGQBPJYEAZUTC-CXAGYDPISA-N -1 3 275.392 3.276 20 0 CGADHM C[C@@H]1C[C@H]1c1ccc(CCC(=O)[N-]OCCC2CC2)o1 ZINC000817387884 632136584 /nfs/dbraw/zinc/13/65/84/632136584.db2.gz ILVARAKXZAQCKH-BXUZGUMPSA-N -1 3 277.364 3.184 20 0 CGADHM Cc1ccc2c(CC(=O)[N-]OCCC3CC3)coc2c1 ZINC000817416733 632146435 /nfs/dbraw/zinc/14/64/35/632146435.db2.gz RTPQGWYNNKIIER-UHFFFAOYSA-N -1 3 273.332 3.132 20 0 CGADHM Cc1cc([C@H](C)NC(=O)c2ccc(N)cc2[O-])c(C)s1 ZINC000817918969 632235145 /nfs/dbraw/zinc/23/51/45/632235145.db2.gz NQXKWAMCTHMDIS-VIFPVBQESA-N -1 3 290.388 3.144 20 0 CGADHM CC(C)(C)CC(=O)[N-]OCc1ccc(-c2ccccn2)nc1 ZINC000818087246 632287294 /nfs/dbraw/zinc/28/72/94/632287294.db2.gz OBYQSJBOMMHQRF-UHFFFAOYSA-N -1 3 299.374 3.128 20 0 CGADHM CC(=O)c1cccc(NC(=O)C(C)=C2CCC2)c1[O-] ZINC000843890996 635793516 /nfs/dbraw/zinc/79/35/16/635793516.db2.gz WAECCBRVJUJSIX-UHFFFAOYSA-N -1 3 259.305 3.034 20 0 CGADHM CC[C@@H](Cc1ccccc1C)C(=O)[N-]O[C@@H]1CCCCO1 ZINC000819205632 632401504 /nfs/dbraw/zinc/40/15/04/632401504.db2.gz NYOWEKYQFVAVCW-GOEBONIOSA-N -1 3 291.391 3.138 20 0 CGADHM CC[C@@H](Cc1ccccc1C)C(=O)[N-]O[C@H]1CCCCO1 ZINC000819205633 632401932 /nfs/dbraw/zinc/40/19/32/632401932.db2.gz NYOWEKYQFVAVCW-HOCLYGCPSA-N -1 3 291.391 3.138 20 0 CGADHM CCc1cc([N-]C(=O)c2nc(C(C)(C)C)cs2)no1 ZINC000866013978 632975584 /nfs/dbraw/zinc/97/55/84/632975584.db2.gz PYZXZEJDKPTCEF-UHFFFAOYSA-N -1 3 279.365 3.243 20 0 CGADHM O=C(c1cc([O-])c2ccccc2c1)N1CC[C@@H]1C(F)F ZINC000868606151 633341768 /nfs/dbraw/zinc/34/17/68/633341768.db2.gz OLFMVGHRFLYNKU-GFCCVEGCSA-N -1 3 277.270 3.025 20 0 CGADHM O=C(CCc1cccc2ccccc21)[N-]OC1CCC1 ZINC000868660533 633349259 /nfs/dbraw/zinc/34/92/59/633349259.db2.gz TYCTVWWVGBTTJQ-UHFFFAOYSA-N -1 3 269.344 3.373 20 0 CGADHM C/C(=C\CN(C)Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000825729697 633377528 /nfs/dbraw/zinc/37/75/28/633377528.db2.gz KXGDHLBCNNLXET-JXMROGBWSA-N -1 3 287.281 3.168 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CCC[C@H](c2cccnc2)C1 ZINC000869046306 633394459 /nfs/dbraw/zinc/39/44/59/633394459.db2.gz JNBJNVZNERQUAT-HNNXBMFYSA-N -1 3 296.370 3.115 20 0 CGADHM CCC(CC)CN1CCc2c(C(=O)[O-])ccc(OC)c2C1 ZINC000871620550 633804523 /nfs/dbraw/zinc/80/45/23/633804523.db2.gz FOVXGQCZYKNQMD-UHFFFAOYSA-N -1 3 291.391 3.188 20 0 CGADHM CC(=O)c1c(C)cccc1[N-]S(=O)(=O)C1=CCCCC1 ZINC000829920859 633809595 /nfs/dbraw/zinc/80/95/95/633809595.db2.gz BBGVSFLRBKMZOJ-UHFFFAOYSA-N -1 3 293.388 3.397 20 0 CGADHM CC[C@H](C)N(OC)C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000830473690 633865633 /nfs/dbraw/zinc/86/56/33/633865633.db2.gz HKQYRPUDMDPURG-NSHDSACASA-N -1 3 277.364 3.073 20 0 CGADHM CCC(F)(F)C(=O)Nc1cc(Br)ccc1[O-] ZINC000831256224 633934018 /nfs/dbraw/zinc/93/40/18/633934018.db2.gz MUYSGSGAKWHEQD-UHFFFAOYSA-N -1 3 294.095 3.139 20 0 CGADHM CC(C)c1nnc([C@@H](C)N[C@@H](C)c2cccc([O-])c2F)[nH]1 ZINC000872050496 633972716 /nfs/dbraw/zinc/97/27/16/633972716.db2.gz BDJRFYFGFIIBCX-VHSXEESVSA-N -1 3 292.358 3.185 20 0 CGADHM C[C@H](N[C@H]1CCCC1(F)F)c1cccc([O-])c1F ZINC000872069995 633991961 /nfs/dbraw/zinc/99/19/61/633991961.db2.gz BGLQUIKFIRYTES-KWQFWETISA-N -1 3 259.271 3.370 20 0 CGADHM CCc1nc(C)c(CN[C@@H](C)c2cccc([O-])c2F)o1 ZINC000872074336 633996690 /nfs/dbraw/zinc/99/66/90/633996690.db2.gz WLMAARMXNSKRLX-VIFPVBQESA-N -1 3 278.327 3.241 20 0 CGADHM C[C@H](N[C@H]1C[C@H](O)c2ccccc21)c1cccc([O-])c1F ZINC000872085723 634010657 /nfs/dbraw/zinc/01/06/57/634010657.db2.gz PDSDIWUTQZLPKG-FSBGKCOPSA-N -1 3 287.334 3.360 20 0 CGADHM Cc1nccnc1[C@H](C)N[C@H](C)c1cccc([O-])c1F ZINC000872130803 634052345 /nfs/dbraw/zinc/05/23/45/634052345.db2.gz MEGUNDQWZCTAHN-KOLCDFICSA-N -1 3 275.327 3.042 20 0 CGADHM O=C(CCc1cccnc1Cl)[N-]OC1CCCCC1 ZINC000832553476 634071026 /nfs/dbraw/zinc/07/10/26/634071026.db2.gz ROYNKUCJNVPSAH-UHFFFAOYSA-N -1 3 282.771 3.048 20 0 CGADHM CCON(Cc1ccccc1)[C@H](C)c1nc(C)cc(=O)[n-]1 ZINC000832800375 634097963 /nfs/dbraw/zinc/09/79/63/634097963.db2.gz LRHOCLYBUKVDKB-CYBMUJFWSA-N -1 3 287.363 3.005 20 0 CGADHM [O-]c1ccc(F)c(CN2CC(c3ccccc3)C2)c1F ZINC000877665995 635138881 /nfs/dbraw/zinc/13/88/81/635138881.db2.gz QUJCBVIESVJWEG-UHFFFAOYSA-N -1 3 275.298 3.270 20 0 CGADHM CC(C)(C)CC(=O)[N-]OCc1ncc(Cl)cc1Cl ZINC000842061828 635271157 /nfs/dbraw/zinc/27/11/57/635271157.db2.gz QKILLAPHIKXUAA-UHFFFAOYSA-N -1 3 291.178 3.372 20 0 CGADHM CC(C)(C)CC(=O)[N-]OCCCOCCc1ccccc1 ZINC000842063749 635272669 /nfs/dbraw/zinc/27/26/69/635272669.db2.gz RUAPVWGIVZDDGI-UHFFFAOYSA-N -1 3 293.407 3.120 20 0 CGADHM Cc1cc(CSCc2nc(C)cc(=O)[n-]2)cc(Cl)n1 ZINC000842174957 635306462 /nfs/dbraw/zinc/30/64/62/635306462.db2.gz KVRAOUAEVWNKSU-UHFFFAOYSA-N -1 3 295.795 3.281 20 0 CGADHM CCCO[N-]C(=O)CCc1ccc(C)c(Cl)c1 ZINC000844081319 635816666 /nfs/dbraw/zinc/81/66/66/635816666.db2.gz WWQVZPGNJPJSQN-UHFFFAOYSA-N -1 3 255.745 3.039 20 0 CGADHM O=C(CCCc1ccccc1)[N-]OCC=C(Cl)Cl ZINC000844239353 635844992 /nfs/dbraw/zinc/84/49/92/635844992.db2.gz QGQKWGQMOXCRSD-UHFFFAOYSA-N -1 3 288.174 3.376 20 0 CGADHM CCO[N-]C(=O)C12CC3C[C@@](C)(C1)C[C@](C)(C3)C2 ZINC000105987100 636061953 /nfs/dbraw/zinc/06/19/53/636061953.db2.gz KZFRZWPFNSJMFP-LCBVDAKKSA-N -1 3 251.370 3.051 20 0 CGADHM O=C(COC(=O)c1ccc([O-])cc1)c1cc2ccccc2o1 ZINC000005694316 636148380 /nfs/dbraw/zinc/14/83/80/636148380.db2.gz DHVZSYXHDXCSQR-UHFFFAOYSA-N -1 3 296.278 3.178 20 0 CGADHM CC(C)(C)c1cc2c([n-]c(-c3cccnn3)nc2=O)s1 ZINC000887317245 637796145 /nfs/dbraw/zinc/79/61/45/637796145.db2.gz FLUNTWOCZWZBAT-UHFFFAOYSA-N -1 3 286.360 3.151 20 0 CGADHM CO[C@H](CSCc1nc(C)cc(=O)[n-]1)C1CCCCC1 ZINC000853770505 637915833 /nfs/dbraw/zinc/91/58/33/637915833.db2.gz QRWRDJAHSMRRNL-CYBMUJFWSA-N -1 3 296.436 3.319 20 0 CGADHM O=C1Nc2ccc(-c3ccc(=O)[n-]c3F)cc2C12CCCC2 ZINC000854189603 638013524 /nfs/dbraw/zinc/01/35/24/638013524.db2.gz NXFXUUVOTYULRC-UHFFFAOYSA-N -1 3 298.317 3.357 20 0 CGADHM O=C(C=CC1CCCCC1)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000854582219 638073175 /nfs/dbraw/zinc/07/31/75/638073175.db2.gz DZXIUOSAGJOHNK-TWGQIWQCSA-N -1 3 285.347 3.344 20 0 CGADHM COc1cccc([C@@H](C)CC(=O)[N-]OCC2CCC2)c1 ZINC000856348200 638348896 /nfs/dbraw/zinc/34/88/96/638348896.db2.gz UIKFMPQVGIRTBP-LBPRGKRZSA-N -1 3 277.364 3.037 20 0 CGADHM Cc1nc(CN[C@@H](C)c2cc([O-])cc(F)c2)cs1 ZINC000924721481 638394774 /nfs/dbraw/zinc/39/47/74/638394774.db2.gz GJDIVGCHQXRPMT-QMMMGPOBSA-N -1 3 266.341 3.147 20 0 CGADHM Cn1cc(C=Cc2cc(=O)[n-]c(C(C)(C)C)n2)c(Cl)n1 ZINC000857202276 638472408 /nfs/dbraw/zinc/47/24/08/638472408.db2.gz LNFCGIJDWNEBHA-AATRIKPKSA-N -1 3 292.770 3.037 20 0 CGADHM CC(C)c1ccc(C(=O)NCCC2CCC2)c([O-])c1 ZINC000857465783 638509144 /nfs/dbraw/zinc/50/91/44/638509144.db2.gz RQEGDFKKXJCZAL-UHFFFAOYSA-N -1 3 261.365 3.436 20 0 CGADHM C[C@@H](CC(=O)[N-]OCc1ccccc1)c1ccco1 ZINC000858167516 638648366 /nfs/dbraw/zinc/64/83/66/638648366.db2.gz SUXYERLQZUECOK-LBPRGKRZSA-N -1 3 259.305 3.021 20 0 CGADHM CC1(C)CN(c2cc(Cl)nc(=O)[n-]2)c2ccccc21 ZINC000858444493 638721079 /nfs/dbraw/zinc/72/10/79/638721079.db2.gz XPKYVASXINWYNL-UHFFFAOYSA-N -1 3 275.739 3.265 20 0 CGADHM C[C@@H](N[C@@H](C)C(F)(F)F)c1cc([O-])cc(F)c1 ZINC000926436564 638771187 /nfs/dbraw/zinc/77/11/87/638771187.db2.gz VKYRVZLDZDBDMY-RQJHMYQMSA-N -1 3 251.223 3.133 20 0 CGADHM CCc1ncsc1C(=O)[N-]c1c(C)noc1C(C)C ZINC000928786517 638891925 /nfs/dbraw/zinc/89/19/25/638891925.db2.gz SBWWMAYZZATXRO-UHFFFAOYSA-N -1 3 279.365 3.378 20 0 CGADHM Cc1cccc([O-])c1C(=O)Nc1cnn(C2CCCC2)c1 ZINC000928797523 638893338 /nfs/dbraw/zinc/89/33/38/638893338.db2.gz GJHCNDDBGBHAGH-UHFFFAOYSA-N -1 3 285.347 3.265 20 0 CGADHM O=C(OCc1cscn1)c1cc(Cl)c(Cl)[n-]1 ZINC000928969176 638896457 /nfs/dbraw/zinc/89/64/57/638896457.db2.gz ZKWMUZDTFKFVFP-UHFFFAOYSA-N -1 3 277.132 3.135 20 0 CGADHM C[C@H]1C[C@@H]1COC(=O)CCCc1ccc([O-])c(F)c1 ZINC000859648963 639183490 /nfs/dbraw/zinc/18/34/90/639183490.db2.gz NXGLRRYTKANMQQ-CMPLNLGQSA-N -1 3 266.312 3.053 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CC[C@H]1Cc1ccccc1 ZINC000859825358 639230819 /nfs/dbraw/zinc/23/08/19/639230819.db2.gz WLSRHXOUDVMQOL-HNNXBMFYSA-N -1 3 281.355 3.158 20 0 CGADHM O=C([N-]OC/C=C\Cl)[C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21 ZINC000861782892 639614415 /nfs/dbraw/zinc/61/44/15/639614415.db2.gz NVODFBPPPASTKC-CHGZCMBBSA-N -1 3 298.169 3.026 20 0 CGADHM C[C@@](O)(C/N=C/c1cc(Cl)ccc1[O-])c1ccsc1 ZINC000077490329 640242818 /nfs/dbraw/zinc/24/28/18/640242818.db2.gz JGMZOVKFRLQDCU-OUAKBRRNSA-N -1 3 295.791 3.434 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2ccc(Cl)nc2C)c1 ZINC000192515539 640379968 /nfs/dbraw/zinc/37/99/68/640379968.db2.gz PXENLTOFJDYVHD-UHFFFAOYSA-N -1 3 276.723 3.310 20 0 CGADHM C[C@H]1CCCN(C(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000280007535 641034834 /nfs/dbraw/zinc/03/48/34/641034834.db2.gz PULMLBMZQGOPLG-LBPRGKRZSA-N -1 3 269.344 3.418 20 0 CGADHM Cc1cc(Cc2ccc([O-])c(C(F)(F)F)c2)on1 ZINC001250364036 805589369 /nfs/dbraw/zinc/58/93/69/805589369.db2.gz DUWYROZKBHKSGS-UHFFFAOYSA-N -1 3 257.211 3.298 20 0 CGADHM O=c1[nH]cccc1-c1nc2cc(Cl)cc(F)c2[n-]1 ZINC001250524601 805676166 /nfs/dbraw/zinc/67/61/66/805676166.db2.gz UCIVVYJIAABPAD-UHFFFAOYSA-N -1 3 263.659 3.123 20 0 CGADHM O=c1[nH]cccc1-c1nc2c(cc(Cl)cc2F)[n-]1 ZINC001250524601 805676169 /nfs/dbraw/zinc/67/61/69/805676169.db2.gz UCIVVYJIAABPAD-UHFFFAOYSA-N -1 3 263.659 3.123 20 0 CGADHM O=c1ccc(-c2nc3c(cc(F)c(Cl)c3F)[n-]2)c[nH]1 ZINC001250528120 805676498 /nfs/dbraw/zinc/67/64/98/805676498.db2.gz IECGXJKYIJYCCH-UHFFFAOYSA-N -1 3 281.649 3.262 20 0 CGADHM [O-]c1ccc(F)cc1-c1nc2c([nH]1)c(F)cc(F)c2F ZINC001250838283 805786370 /nfs/dbraw/zinc/78/63/70/805786370.db2.gz YHWHFHMVEWLZLA-UHFFFAOYSA-N -1 3 282.196 3.492 20 0 CGADHM Cc1cccc(C(=O)Nc2cncc(C(C)C)c2)c1[O-] ZINC001157939220 805905873 /nfs/dbraw/zinc/90/58/73/805905873.db2.gz ZSSNXMSXUYGXTP-UHFFFAOYSA-N -1 3 270.332 3.471 20 0 CGADHM COc1cc2nc(-c3cc([O-])cc(F)c3)[nH]c2cc1OC ZINC001251570504 805909636 /nfs/dbraw/zinc/90/96/36/805909636.db2.gz TXSCCIDJQYDESF-UHFFFAOYSA-N -1 3 288.278 3.092 20 0 CGADHM CC(=O)Nc1ccc2[nH]c(-c3cc([O-])cc(F)c3)nc2c1 ZINC001251570795 805909270 /nfs/dbraw/zinc/90/92/70/805909270.db2.gz ZVKIIHVILVIBLB-UHFFFAOYSA-N -1 3 285.278 3.033 20 0 CGADHM CSc1nc2ccccc2c(NCc2ncccc2[O-])n1 ZINC001158773984 806002192 /nfs/dbraw/zinc/00/21/92/806002192.db2.gz FWBARCQMURUXDP-UHFFFAOYSA-N -1 3 298.371 3.064 20 0 CGADHM CCCc1ccccc1C(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC001159063940 806038482 /nfs/dbraw/zinc/03/84/82/806038482.db2.gz YASIQXSWYWMAKB-UHFFFAOYSA-N -1 3 295.342 3.473 20 0 CGADHM CC(C)c1ccc([N-]S(C)(=O)=O)c(C(F)(F)F)c1 ZINC001252733690 806106994 /nfs/dbraw/zinc/10/69/94/806106994.db2.gz UOCNQMYHDRIIFS-UHFFFAOYSA-N -1 3 281.299 3.200 20 0 CGADHM O=Cc1ccc(CC(=O)Nc2c([O-])cccc2Cl)cc1 ZINC001159656970 806141821 /nfs/dbraw/zinc/14/18/21/806141821.db2.gz HBKOBUCMDCPKLB-UHFFFAOYSA-N -1 3 289.718 3.039 20 0 CGADHM [O-]c1ccc(Cc2nnc(-c3ccccc3)o2)c(F)c1 ZINC001253081178 806161091 /nfs/dbraw/zinc/16/10/91/806161091.db2.gz GYTGOXVJCAYRNT-UHFFFAOYSA-N -1 3 270.263 3.172 20 0 CGADHM CC(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2C(C)(C)C)c1[O-] ZINC001160320535 806256715 /nfs/dbraw/zinc/25/67/15/806256715.db2.gz AJFPCNPMINISIO-VXGBXAGGSA-N -1 3 275.348 3.216 20 0 CGADHM CC(C)[C@H](O)CNc1cc(Cl)c([O-])cc1Cl ZINC001253771023 806303732 /nfs/dbraw/zinc/30/37/32/806303732.db2.gz CVZUIVHKZKBXDQ-LLVKDONJSA-N -1 3 264.152 3.128 20 0 CGADHM [O-]c1cc(Cl)ccc1-n1cc(-c2ccsc2)nn1 ZINC001254165091 806357443 /nfs/dbraw/zinc/35/74/43/806357443.db2.gz LDVACAGAGHWHQV-UHFFFAOYSA-N -1 3 277.736 3.355 20 0 CGADHM Cc1cnc([N-]S(=O)(=O)c2ccccc2C)c(Cl)c1 ZINC001254520300 806435783 /nfs/dbraw/zinc/43/57/83/806435783.db2.gz PYNCOKQWPVWWDL-UHFFFAOYSA-N -1 3 296.779 3.153 20 0 CGADHM Clc1cc(-c2nnc([C@@H]3C[C@H]3c3ccccc3)o2)[n-]n1 ZINC001254651549 806474362 /nfs/dbraw/zinc/47/43/62/806474362.db2.gz FANMUUSMZKYUJJ-VHSXEESVSA-N -1 3 286.722 3.384 20 0 CGADHM CC1(C)CCC[C@H](CNC(=O)c2ccccc2[O-])C1 ZINC001161931982 806485804 /nfs/dbraw/zinc/48/58/04/806485804.db2.gz FBMNMVIVGMURME-LBPRGKRZSA-N -1 3 261.365 3.338 20 0 CGADHM CCc1ncc(CN[C@@H](CC(=O)[O-])c2cccs2)s1 ZINC000037924442 798879757 /nfs/dbraw/zinc/87/97/57/798879757.db2.gz WEJABHKWHQXCCX-JTQLQIEISA-N -1 3 296.417 3.073 20 0 CGADHM COc1ccc([C@H](C)NCc2ccc(C(=O)[O-])s2)cc1 ZINC000234971002 799144529 /nfs/dbraw/zinc/14/45/29/799144529.db2.gz HQRQNHDYVAHAOQ-JTQLQIEISA-N -1 3 291.372 3.306 20 0 CGADHM Cc1ccc(C(=O)NCC2(C)CCCCC2)c([O-])c1 ZINC000235867643 799145310 /nfs/dbraw/zinc/14/53/10/799145310.db2.gz RQYAJZPVMXBFOM-UHFFFAOYSA-N -1 3 261.365 3.401 20 0 CGADHM Cc1cc(CN2Cc3ccccc3[C@H](C(=O)[O-])C2)cs1 ZINC000380500507 799364194 /nfs/dbraw/zinc/36/41/94/799364194.db2.gz NUIYLPWYSPEUNB-OAHLLOKOSA-N -1 3 287.384 3.241 20 0 CGADHM C[C@@H](CN1Cc2ccccc2[C@@H](C(=O)[O-])C1)C(C)(C)C ZINC000383227281 799401291 /nfs/dbraw/zinc/40/12/91/799401291.db2.gz ALHPISZEANFRCF-WFASDCNBSA-N -1 3 275.392 3.353 20 0 CGADHM Cc1scc(CNCc2ccc(C(=O)[O-])s2)c1C ZINC000399801405 799541755 /nfs/dbraw/zinc/54/17/55/799541755.db2.gz GUHCLQBFTIXWMJ-UHFFFAOYSA-N -1 3 281.402 3.414 20 0 CGADHM Cc1scc(CNCc2cc(C(=O)[O-])cs2)c1C ZINC000399914130 799542938 /nfs/dbraw/zinc/54/29/38/799542938.db2.gz HINBHFAVEYNQOB-UHFFFAOYSA-N -1 3 281.402 3.414 20 0 CGADHM O=C([O-])CCN(Cc1ccsc1C(F)(F)F)C1CC1 ZINC000704328368 799935587 /nfs/dbraw/zinc/93/55/87/799935587.db2.gz YMUBFXACIGKQIV-UHFFFAOYSA-N -1 3 293.310 3.206 20 0 CGADHM O=C(NCC[C@@H]1CC[C@H]2C[C@H]21)c1cc([O-])ccc1Cl ZINC000717160184 800195478 /nfs/dbraw/zinc/19/54/78/800195478.db2.gz YRKMUESRIJQOMJ-NHCYSSNCSA-N -1 3 279.767 3.212 20 0 CGADHM CC(C)Cc1nnc(-c2c([O-])cc3ccccc3c2O)o1 ZINC001256426338 806894896 /nfs/dbraw/zinc/89/48/96/806894896.db2.gz MDLUSRSMJRLTEW-UHFFFAOYSA-N -1 3 284.315 3.500 20 0 CGADHM O=c1cc(CN(c2ccccc2)C2CC2)nc(C2CC2)[n-]1 ZINC001117814062 802502775 /nfs/dbraw/zinc/50/27/75/802502775.db2.gz UMZRCBZBUNVFKE-UHFFFAOYSA-N -1 3 281.359 3.229 20 0 CGADHM CSc1cccc(F)c1C(=O)[N-]c1nc(C2CC2)no1 ZINC001119399621 802660129 /nfs/dbraw/zinc/66/01/29/802660129.db2.gz UKNPOBWGXDEPSL-UHFFFAOYSA-N -1 3 293.323 3.060 20 0 CGADHM Cc1nc(CNC(=O)c2ccc(C(C)C)cc2[O-])oc1C ZINC001123918727 802982326 /nfs/dbraw/zinc/98/23/26/802982326.db2.gz PIOXHFBNQZIGKW-UHFFFAOYSA-N -1 3 288.347 3.050 20 0 CGADHM CCOC(=O)c1cncc(-c2c([O-])cccc2Cl)c1 ZINC001244033066 803152276 /nfs/dbraw/zinc/15/22/76/803152276.db2.gz KZUUDRZZWWSANT-UHFFFAOYSA-N -1 3 277.707 3.284 20 0 CGADHM COCc1ccc(C)c(-c2ccc(C)c(-c3nnn[n-]3)c2)c1 ZINC001244171646 803223080 /nfs/dbraw/zinc/22/30/80/803223080.db2.gz JFTNLPDGNKTEKJ-UHFFFAOYSA-N -1 3 294.358 3.297 20 0 CGADHM COCc1ccc(C)c(-c2ccc(C)c(-c3nn[n-]n3)c2)c1 ZINC001244171646 803223085 /nfs/dbraw/zinc/22/30/85/803223085.db2.gz JFTNLPDGNKTEKJ-UHFFFAOYSA-N -1 3 294.358 3.297 20 0 CGADHM Clc1ccc(-c2ccc(-c3nnn[n-]3)cc2)c2n[nH]cc21 ZINC001244389198 803338285 /nfs/dbraw/zinc/33/82/85/803338285.db2.gz JYBBHSGFVXEHKJ-UHFFFAOYSA-N -1 3 296.721 3.063 20 0 CGADHM Clc1ccc(-c2ccc(-c3nn[n-]n3)cc2)c2n[nH]cc21 ZINC001244389198 803338292 /nfs/dbraw/zinc/33/82/92/803338292.db2.gz JYBBHSGFVXEHKJ-UHFFFAOYSA-N -1 3 296.721 3.063 20 0 CGADHM CN(C)C(=O)c1cccc(-c2ccc(Cl)cc2[O-])c1 ZINC001244469330 803386298 /nfs/dbraw/zinc/38/62/98/803386298.db2.gz HSSIIWPMAAYNBV-UHFFFAOYSA-N -1 3 275.735 3.414 20 0 CGADHM Cn1c(=O)oc2cc(-c3ccc(Cl)cc3[O-])ccc21 ZINC001244469390 803386451 /nfs/dbraw/zinc/38/64/51/803386451.db2.gz JRHLTIGFBBGTHG-UHFFFAOYSA-N -1 3 275.691 3.158 20 0 CGADHM Cc1cc(C(=O)N(C)C)ncc1-c1ccc(Cl)cc1[O-] ZINC001244472184 803388807 /nfs/dbraw/zinc/38/88/07/803388807.db2.gz MYIAYHHESVZVNU-UHFFFAOYSA-N -1 3 290.750 3.118 20 0 CGADHM CCN(CC)c1ncc(-c2ccc(Cl)cc2[O-])cn1 ZINC001244473768 803389140 /nfs/dbraw/zinc/38/91/40/803389140.db2.gz ZLOOBKGVXAXXIC-UHFFFAOYSA-N -1 3 277.755 3.349 20 0 CGADHM CC(=O)Nc1ncc(-c2ccc(Cl)cc2[O-])cc1C ZINC001244472500 803389216 /nfs/dbraw/zinc/38/92/16/803389216.db2.gz OCGHESXTKFMZMG-UHFFFAOYSA-N -1 3 276.723 3.374 20 0 CGADHM NC(=O)c1ccc2cc(-c3ccc(Cl)cc3[O-])ccc2n1 ZINC001244476315 803389810 /nfs/dbraw/zinc/38/98/10/803389810.db2.gz MCXNUPZZDFSHLF-UHFFFAOYSA-N -1 3 298.729 3.360 20 0 CGADHM Fc1cc(Br)cnc1[N-]c1nccs1 ZINC001210989709 814701359 /nfs/dbraw/zinc/70/13/59/814701359.db2.gz PSTDUSIGIRUUDD-UHFFFAOYSA-N -1 3 274.118 3.183 20 0 CGADHM CCOC(=O)c1ccc(-c2cc(C)c(F)c([O-])c2)nc1 ZINC001244496143 803403501 /nfs/dbraw/zinc/40/35/01/803403501.db2.gz LZFOIVNPZZWCQS-UHFFFAOYSA-N -1 3 275.279 3.078 20 0 CGADHM Cc1cc(-c2ccc3cnccc3n2)cc([O-])c1F ZINC001244506265 803410315 /nfs/dbraw/zinc/41/03/15/803410315.db2.gz LCTVQHFFHGZKEK-UHFFFAOYSA-N -1 3 254.264 3.450 20 0 CGADHM Cc1cc(-c2cc(C)c(F)c([O-])c2)nc(-c2ncccn2)n1 ZINC001244507559 803410948 /nfs/dbraw/zinc/41/09/48/803410948.db2.gz MGYLIEZUQOYEMS-UHFFFAOYSA-N -1 3 296.305 3.062 20 0 CGADHM Cc1cc(-c2ncc(-c3cccnc3)cn2)cc([O-])c1F ZINC001244508176 803411462 /nfs/dbraw/zinc/41/14/62/803411462.db2.gz PMXFKDOLEJYVPI-UHFFFAOYSA-N -1 3 281.290 3.359 20 0 CGADHM COc1ncc2cc[nH]c2c1-c1cc(C)c(F)c([O-])c1 ZINC001244521941 803415322 /nfs/dbraw/zinc/41/53/22/803415322.db2.gz ZGIJASSGJBWTDA-UHFFFAOYSA-N -1 3 272.279 3.392 20 0 CGADHM COc1cc2nccn2cc1-c1cc(C)c(F)c([O-])c1 ZINC001244525199 803418307 /nfs/dbraw/zinc/41/83/07/803418307.db2.gz MEHRKWAIUACKIO-UHFFFAOYSA-N -1 3 272.279 3.163 20 0 CGADHM Cc1cc(-c2ccc3c(N)noc3c2)cc([O-])c1F ZINC001244525732 803418569 /nfs/dbraw/zinc/41/85/69/803418569.db2.gz UVFWFWLTTKVVSV-UHFFFAOYSA-N -1 3 258.252 3.230 20 0 CGADHM CCOc1ncc(-c2cc(C)c(F)c([O-])c2)cc1OC ZINC001244525323 803418768 /nfs/dbraw/zinc/41/87/68/803418768.db2.gz KTASCAQIDZJVDJ-UHFFFAOYSA-N -1 3 277.295 3.309 20 0 CGADHM Cc1cc(-c2cc(C(=O)N(C)C)ccc2F)cc([O-])c1F ZINC001244531181 803422161 /nfs/dbraw/zinc/42/21/61/803422161.db2.gz WFMMBAVJOGHOJX-UHFFFAOYSA-N -1 3 291.297 3.348 20 0 CGADHM Cc1cc(-c2ccc(N(C)C)nc2)cc(Cl)c1[O-] ZINC001244538789 803426718 /nfs/dbraw/zinc/42/67/18/803426718.db2.gz WXGXQSFRQWTNNX-UHFFFAOYSA-N -1 3 262.740 3.482 20 0 CGADHM Cc1nc2c(cncc2-c2c(Cl)ccc([O-])c2F)[nH]1 ZINC001244541603 803429959 /nfs/dbraw/zinc/42/99/59/803429959.db2.gz GDHPWSJMYVRTBS-UHFFFAOYSA-N -1 3 277.686 3.431 20 0 CGADHM Cc1cc(-c2cccc(C(N)=O)c2C)cc(Cl)c1[O-] ZINC001244548190 803432852 /nfs/dbraw/zinc/43/28/52/803432852.db2.gz WLTIPLJEDJQNAG-UHFFFAOYSA-N -1 3 275.735 3.428 20 0 CGADHM CCOC(=O)c1c(F)cncc1-c1cc(Cl)ccc1[O-] ZINC001245054112 803623593 /nfs/dbraw/zinc/62/35/93/803623593.db2.gz AHHCFGVFDMNSHS-UHFFFAOYSA-N -1 3 295.697 3.423 20 0 CGADHM O=c1cc(-c2cc(Cl)ccc2[O-])cnn1CC1CCC1 ZINC001245052799 803623728 /nfs/dbraw/zinc/62/37/28/803623728.db2.gz NEOKETUUXCZOAZ-UHFFFAOYSA-N -1 3 290.750 3.069 20 0 CGADHM CCCNC(=O)c1ccc(-c2ccc([O-])cc2Cl)nc1 ZINC001245079579 803634932 /nfs/dbraw/zinc/63/49/32/803634932.db2.gz QPNQLUMFQNECIJ-UHFFFAOYSA-N -1 3 290.750 3.247 20 0 CGADHM COc1cncc(OC)c1-c1ccc([O-])cc1Cl ZINC001245081163 803635665 /nfs/dbraw/zinc/63/56/65/803635665.db2.gz AWJFAMVOBOYYFO-UHFFFAOYSA-N -1 3 265.696 3.125 20 0 CGADHM COC(=O)c1cc(C)cc(-c2ccc([O-])cc2Cl)n1 ZINC001245080084 803635701 /nfs/dbraw/zinc/63/57/01/803635701.db2.gz YUSCYOODESPBLT-UHFFFAOYSA-N -1 3 277.707 3.203 20 0 CGADHM COCc1cc(-c2ccc([O-])cc2Cl)nc(SC)n1 ZINC001245080064 803635744 /nfs/dbraw/zinc/63/57/44/803635744.db2.gz XXCONWBGCOMYRL-UHFFFAOYSA-N -1 3 296.779 3.371 20 0 CGADHM CC(C)Oc1nccnc1-c1ccc([O-])cc1Cl ZINC001245080746 803635780 /nfs/dbraw/zinc/63/57/80/803635780.db2.gz WIKBJJKEJIBUTM-UHFFFAOYSA-N -1 3 264.712 3.290 20 0 CGADHM COC(=O)c1cc(C)cnc1-c1ccc([O-])cc1Cl ZINC001245081443 803636250 /nfs/dbraw/zinc/63/62/50/803636250.db2.gz GNDYOBNDYBUPMZ-UHFFFAOYSA-N -1 3 277.707 3.203 20 0 CGADHM CCOC(=O)c1ccncc1-c1ccc([O-])cc1Cl ZINC001245081231 803636317 /nfs/dbraw/zinc/63/63/17/803636317.db2.gz AXJVVHGHVRPVOU-UHFFFAOYSA-N -1 3 277.707 3.284 20 0 CGADHM Cc1cn2cc(-c3ccc([O-])cc3Cl)ncc2n1 ZINC001245083735 803637927 /nfs/dbraw/zinc/63/79/27/803637927.db2.gz QMAKBSPXGYZHGH-UHFFFAOYSA-N -1 3 259.696 3.064 20 0 CGADHM COCc1ccc(C(=O)Nc2cccc([O-])c2F)cc1F ZINC001137580420 803740811 /nfs/dbraw/zinc/74/08/11/803740811.db2.gz HOTKUCBOWNWSQM-UHFFFAOYSA-N -1 3 293.269 3.069 20 0 CGADHM [O-]c1ccc(Nc2snc3cccnc32)c(F)c1F ZINC001212005405 814965460 /nfs/dbraw/zinc/96/54/60/814965460.db2.gz KRZALTPOCRAJSP-UHFFFAOYSA-N -1 3 279.271 3.419 20 0 CGADHM Cc1cc(F)c(-c2ccccc2-c2nnn[n-]2)cc1F ZINC001245544634 803803295 /nfs/dbraw/zinc/80/32/95/803803295.db2.gz KLBPSHMLHOPGLZ-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM Cc1cc(F)c(-c2ccccc2-c2nn[n-]n2)cc1F ZINC001245544634 803803302 /nfs/dbraw/zinc/80/33/02/803803302.db2.gz KLBPSHMLHOPGLZ-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM Nc1cc(Cl)cc2c1cnn2-c1ccc([O-])c(F)c1F ZINC001212013916 814967057 /nfs/dbraw/zinc/96/70/57/814967057.db2.gz PSLWRNUBGXROQG-UHFFFAOYSA-N -1 3 295.676 3.245 20 0 CGADHM COc1cc(F)c(-c2c([O-])cccc2F)cc1OC ZINC001245653478 803884054 /nfs/dbraw/zinc/88/40/54/803884054.db2.gz DPHJMRXCAFFJTO-UHFFFAOYSA-N -1 3 266.243 3.355 20 0 CGADHM O=C1c2ccc(-c3c([O-])cccc3F)cc2CN1C1CC1 ZINC001245656438 803891314 /nfs/dbraw/zinc/89/13/14/803891314.db2.gz QUDWEQBFGPIOMN-UHFFFAOYSA-N -1 3 283.302 3.317 20 0 CGADHM Cc1nc2ccc(-c3c([O-])cccc3F)cc2c(=O)o1 ZINC001245656551 803891372 /nfs/dbraw/zinc/89/13/72/803891372.db2.gz SUUPWIUOUBGXCI-UHFFFAOYSA-N -1 3 271.247 3.008 20 0 CGADHM [O-]c1cccc(F)c1-c1ccc(C(F)(F)F)n2ncnc12 ZINC001245657349 803892497 /nfs/dbraw/zinc/89/24/97/803892497.db2.gz LBGMRQTXQPOJCM-UHFFFAOYSA-N -1 3 297.211 3.260 20 0 CGADHM Clc1cccc(Cl)c1-c1cncc(-c2nnn[n-]2)c1 ZINC001245675235 803904046 /nfs/dbraw/zinc/90/40/46/803904046.db2.gz ILBMFWSXSPZNPK-UHFFFAOYSA-N -1 3 292.129 3.236 20 0 CGADHM Clc1cccc(Cl)c1-c1cncc(-c2nn[n-]n2)c1 ZINC001245675235 803904051 /nfs/dbraw/zinc/90/40/51/803904051.db2.gz ILBMFWSXSPZNPK-UHFFFAOYSA-N -1 3 292.129 3.236 20 0 CGADHM Nc1ccc(Nc2cc(=O)[n-]c(C3CC3)n2)cc1Cl ZINC001212105610 814976070 /nfs/dbraw/zinc/97/60/70/814976070.db2.gz JJFCCDPUKVZLBJ-UHFFFAOYSA-N -1 3 276.727 3.039 20 0 CGADHM O=c1cc(Nc2cc(Br)cc(F)c2[O-])cc[nH]1 ZINC001212280211 815001355 /nfs/dbraw/zinc/00/13/55/815001355.db2.gz PUQKXKRTSUGSSH-UHFFFAOYSA-N -1 3 299.099 3.138 20 0 CGADHM [O-]c1ccc(CN2CCC23CCCC3)c(F)c1F ZINC001140887713 804540125 /nfs/dbraw/zinc/54/01/25/804540125.db2.gz FFMCGINFDKVZAT-UHFFFAOYSA-N -1 3 253.292 3.189 20 0 CGADHM COc1cccc([O-])c1C(=O)NCc1ccc2occc2c1 ZINC001165765587 807019181 /nfs/dbraw/zinc/01/91/81/807019181.db2.gz JKURSVWKBIQCDR-UHFFFAOYSA-N -1 3 297.310 3.077 20 0 CGADHM COCCN(C)Cc1ccc(-c2cccc(C(=O)[O-])c2)cc1 ZINC001141348471 804634194 /nfs/dbraw/zinc/63/41/94/804634194.db2.gz GUCGDAUNHHPHQN-UHFFFAOYSA-N -1 3 299.370 3.130 20 0 CGADHM CC(=O)c1cccc(NC(=O)c2cc(C)cc(F)c2)c1[O-] ZINC001141649755 804661861 /nfs/dbraw/zinc/66/18/61/804661861.db2.gz TZELGKGJFNOTSW-UHFFFAOYSA-N -1 3 287.290 3.295 20 0 CGADHM C[C@H]1CC[C@@H](CO)N1Cc1c(Cl)cc([O-])cc1Cl ZINC001142105863 804695181 /nfs/dbraw/zinc/69/51/81/804695181.db2.gz PNOYECNNALFFBD-IUCAKERBSA-N -1 3 290.190 3.044 20 0 CGADHM O=c1cc(Cl)[nH]cc1Nc1cc(F)cc(F)c1[O-] ZINC001212479847 815034903 /nfs/dbraw/zinc/03/49/03/815034903.db2.gz VIIAODHYDJCILU-UHFFFAOYSA-N -1 3 272.638 3.168 20 0 CGADHM COC1(C)CCN(Cc2ccc(Cl)cc2C(=O)[O-])CC1 ZINC001142643550 804746889 /nfs/dbraw/zinc/74/68/89/804746889.db2.gz ZLTYVVJLDBZPRC-UHFFFAOYSA-N -1 3 297.782 3.039 20 0 CGADHM [O-]c1c(F)cc(F)cc1Nc1cc(C(F)(F)F)cnn1 ZINC001212484271 815037258 /nfs/dbraw/zinc/03/72/58/815037258.db2.gz VBBSSOPTALPFOV-UHFFFAOYSA-N -1 3 291.179 3.223 20 0 CGADHM [O-]c1c(F)cc(F)cc1Nc1cn(C2CCC2)cn1 ZINC001212484042 815037268 /nfs/dbraw/zinc/03/72/68/815037268.db2.gz HDBLHQPKEGGVIG-UHFFFAOYSA-N -1 3 265.263 3.336 20 0 CGADHM CC(C)Cn1cnc(Nc2cc(F)cc(F)c2[O-])c1 ZINC001212484030 815037672 /nfs/dbraw/zinc/03/76/72/815037672.db2.gz GQRBSVDOCKVQPE-UHFFFAOYSA-N -1 3 267.279 3.267 20 0 CGADHM [O-]c1cc(Cl)cnc1Nc1cc2cccnc2[nH]1 ZINC001248699085 804970554 /nfs/dbraw/zinc/97/05/54/804970554.db2.gz NKGDBJGHURVLAM-UHFFFAOYSA-N -1 3 260.684 3.061 20 0 CGADHM C[C@@H]1CCCCN(Cc2c(F)cc([O-])cc2F)C1 ZINC001144541920 805002005 /nfs/dbraw/zinc/00/20/05/805002005.db2.gz MPPQDSZFBWXAMT-SNVBAGLBSA-N -1 3 255.308 3.292 20 0 CGADHM [O-]c1cc(F)c(CN2CCC[C@H]3CCC[C@H]32)c(F)c1 ZINC001144559119 805003547 /nfs/dbraw/zinc/00/35/47/805003547.db2.gz IYUZJDVFXKQUHJ-MEBBXXQBSA-N -1 3 267.319 3.435 20 0 CGADHM CN(Cc1c(F)cc([O-])cc1F)C[C@@H]1CC1(C)C ZINC001144558711 805004675 /nfs/dbraw/zinc/00/46/75/805004675.db2.gz AXKQUVYNNBWPFP-VIFPVBQESA-N -1 3 255.308 3.148 20 0 CGADHM CC(C)(CNC(=O)Cc1ccc([O-])c(F)c1)CC1CC1 ZINC001144633343 805015782 /nfs/dbraw/zinc/01/57/82/805015782.db2.gz QOKQSVLUQJIDBF-UHFFFAOYSA-N -1 3 279.355 3.016 20 0 CGADHM CC[C@@H]1CCCCN1Cc1cc(F)c([O-])cc1F ZINC001144658411 805025968 /nfs/dbraw/zinc/02/59/68/805025968.db2.gz VJZOTMYICWYASI-LLVKDONJSA-N -1 3 255.308 3.435 20 0 CGADHM C[C@@H]1C[C@@H](C)CN(Cc2cc(F)c([O-])cc2F)C1 ZINC001144658509 805027577 /nfs/dbraw/zinc/02/75/77/805027577.db2.gz ZKZJLFQFEUAQLO-NXEZZACHSA-N -1 3 255.308 3.148 20 0 CGADHM COc1cccc([O-])c1C(=O)N[C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC001146669437 805078743 /nfs/dbraw/zinc/07/87/43/805078743.db2.gz PZPOGMMFXNVIHZ-FRRDWIJNSA-N -1 3 289.375 3.099 20 0 CGADHM COc1cccc(C(=O)Nc2cccc(C(C)=O)c2C)c1[O-] ZINC001148201977 805167838 /nfs/dbraw/zinc/16/78/38/805167838.db2.gz IOKQHHSAYZUNJZ-UHFFFAOYSA-N -1 3 299.326 3.164 20 0 CGADHM Cc1ccc(C(=O)Nc2cc3ccccc3n2C)c([O-])c1 ZINC001148492480 805187690 /nfs/dbraw/zinc/18/76/90/805187690.db2.gz LQKJQWQZHSXLND-UHFFFAOYSA-N -1 3 280.327 3.445 20 0 CGADHM CC(C)c1ccc(C(=O)N[C@]2(C)CC2(C)C)c([O-])c1 ZINC001148496375 805189848 /nfs/dbraw/zinc/18/98/48/805189848.db2.gz CCBHLPNTNIYNQL-MRXNPFEDSA-N -1 3 261.365 3.434 20 0 CGADHM CC[C@@H](C)C[C@@H](C)NC(=O)c1ccc([O-])c(C(C)=O)c1 ZINC001148669237 805203822 /nfs/dbraw/zinc/20/38/22/805203822.db2.gz RVBZOKDRPVVTJK-GHMZBOCLSA-N -1 3 277.364 3.149 20 0 CGADHM CC(=O)c1cc(C(=O)Nc2c(C)cc(O)cc2C)ccc1[O-] ZINC001148664075 805204281 /nfs/dbraw/zinc/20/42/81/805204281.db2.gz HQHKFJYJWDAVAA-UHFFFAOYSA-N -1 3 299.326 3.170 20 0 CGADHM Cn1ccc2cc(C(=O)Nc3ccc(F)c([O-])c3)ccc21 ZINC001149231445 805226620 /nfs/dbraw/zinc/22/66/20/805226620.db2.gz ICGCAQDCDBAITC-UHFFFAOYSA-N -1 3 284.290 3.275 20 0 CGADHM O=C(C[C@@H]1OCc2ccccc21)Nc1cccc([O-])c1F ZINC001151092912 805281947 /nfs/dbraw/zinc/28/19/47/805281947.db2.gz OGQRAFKPXASWFT-AWEZNQCLSA-N -1 3 287.290 3.131 20 0 CGADHM CC(=O)c1ccc(C(=O)Nc2cc(F)ccc2[O-])cc1C ZINC001153468373 805397893 /nfs/dbraw/zinc/39/78/93/805397893.db2.gz QLOIKGGEEDYUSR-UHFFFAOYSA-N -1 3 287.290 3.295 20 0 CGADHM CSc1ccc(F)c(C)c1Nc1cc(=O)[n-]c(C)n1 ZINC001250132447 805433680 /nfs/dbraw/zinc/43/36/80/805433680.db2.gz KUMYUAVVDRSIEW-UHFFFAOYSA-N -1 3 279.340 3.404 20 0 CGADHM O=c1[nH]c2ccccc2n1CCCc1ccc(F)cc1[O-] ZINC001250177634 805465525 /nfs/dbraw/zinc/46/55/25/805465525.db2.gz BIERRUDDYFPVPC-UHFFFAOYSA-N -1 3 286.306 3.219 20 0 CGADHM [O-]c1cc(Nc2ccnnc2Cl)ccc1Cl ZINC001212589504 815078524 /nfs/dbraw/zinc/07/85/24/815078524.db2.gz OTVCEGQOXHEJAJ-UHFFFAOYSA-N -1 3 256.092 3.233 20 0 CGADHM CSc1ncc(Nc2ccc(Cl)c([O-])c2)cn1 ZINC001212590660 815079372 /nfs/dbraw/zinc/07/93/72/815079372.db2.gz XJFMMZGXXFDUJS-UHFFFAOYSA-N -1 3 267.741 3.301 20 0 CGADHM Cc1ccc(C(N)=O)c(Nc2ccc(Cl)c([O-])c2)c1 ZINC001212593514 815080708 /nfs/dbraw/zinc/08/07/08/815080708.db2.gz VNCDSUJUBHNUMH-UHFFFAOYSA-N -1 3 276.723 3.197 20 0 CGADHM O=C1COc2cccc(Nc3ccc(Cl)c([O-])c3)c2N1 ZINC001212593556 815081267 /nfs/dbraw/zinc/08/12/67/815081267.db2.gz XKOHPMNYNLUUHR-UHFFFAOYSA-N -1 3 290.706 3.120 20 0 CGADHM COC(=O)c1cc(O)cc(Nc2ccc(Cl)c([O-])c2)c1 ZINC001212593616 815081340 /nfs/dbraw/zinc/08/13/40/815081340.db2.gz ANOLIIBXDGMHAD-UHFFFAOYSA-N -1 3 293.706 3.281 20 0 CGADHM CC(C)(C)OC(=O)n1ccc(C=C([O-])c2cccs2)n1 ZINC001250307804 805558625 /nfs/dbraw/zinc/55/86/25/805558625.db2.gz IFYBRSYGTAHCCU-UHFFFAOYSA-N -1 3 292.360 3.153 20 0 CGADHM COc1ccc([O-])c(-c2nnc(C3CCCC3)o2)c1 ZINC001257499777 807181531 /nfs/dbraw/zinc/18/15/31/807181531.db2.gz NURIJTHHBAKCQW-UHFFFAOYSA-N -1 3 260.293 3.108 20 0 CGADHM COc1cc(-c2nnc(C3CCCC3)o2)cc(OC)c1[O-] ZINC001257499576 807182141 /nfs/dbraw/zinc/18/21/41/807182141.db2.gz IKAUUZSCZCLCAO-UHFFFAOYSA-N -1 3 290.319 3.117 20 0 CGADHM Clc1cc(-c2nnc(CCCc3ccccc3)o2)[n-]n1 ZINC001257806779 807221719 /nfs/dbraw/zinc/22/17/19/807221719.db2.gz XAEGYMGIQXJNNK-UHFFFAOYSA-N -1 3 288.738 3.288 20 0 CGADHM Cc1cc(F)c(-c2noc(-c3cncc([O-])c3)n2)cc1F ZINC001212708260 815109458 /nfs/dbraw/zinc/10/94/58/815109458.db2.gz CAWMSYDTENBPPR-UHFFFAOYSA-N -1 3 289.241 3.091 20 0 CGADHM Cc1cc([O-])c(-c2nnc(CCC(C)C)o2)c(O)c1 ZINC001258350617 807424161 /nfs/dbraw/zinc/42/41/61/807424161.db2.gz MFKVWJLNXGGTPE-UHFFFAOYSA-N -1 3 262.309 3.045 20 0 CGADHM Cc1ccc(NS(=O)(=O)C2CCCC2)c(Cl)c1[O-] ZINC001259801175 807685738 /nfs/dbraw/zinc/68/57/38/807685738.db2.gz WZPCFPUUMSUVPQ-UHFFFAOYSA-N -1 3 289.784 3.038 20 0 CGADHM Cc1cc(NCc2ncccc2[O-])nc(-c2ccccc2)n1 ZINC001169726656 807698960 /nfs/dbraw/zinc/69/89/60/807698960.db2.gz ASXSASLYGXMCNX-UHFFFAOYSA-N -1 3 292.342 3.165 20 0 CGADHM Cc1cccc(S(=O)(=O)[N-]c2cnccc2Cl)c1C ZINC001260990579 807708270 /nfs/dbraw/zinc/70/82/70/807708270.db2.gz IJCXLYMINAWHOY-UHFFFAOYSA-N -1 3 296.779 3.153 20 0 CGADHM Cc1c(F)nccc1Nc1ncc(Cl)cc1[O-] ZINC001212838872 815150886 /nfs/dbraw/zinc/15/08/86/815150886.db2.gz IZUNIEFOMWPXIX-UHFFFAOYSA-N -1 3 253.664 3.027 20 0 CGADHM C[C@@H](Nc1ccc2c(c1)[N-]C(=S)C2)c1ncc(F)cn1 ZINC001171118849 807990237 /nfs/dbraw/zinc/99/02/37/807990237.db2.gz MLWDBDICDITJHS-MRVPVSSYSA-N -1 3 288.351 3.084 20 0 CGADHM COc1cccc(Nc2cc(F)c([O-])c(F)c2)c1 ZINC001173828388 808694206 /nfs/dbraw/zinc/69/42/06/808694206.db2.gz JPZLZZHNFOBQGB-UHFFFAOYSA-N -1 3 251.232 3.423 20 0 CGADHM [O-]c1cc(Cl)cnc1Nc1c(F)cccc1F ZINC001173859034 808717558 /nfs/dbraw/zinc/71/75/58/808717558.db2.gz HPMIRRRUYZEUCU-UHFFFAOYSA-N -1 3 256.639 3.462 20 0 CGADHM COc1cccc(Nc2c(F)cc([O-])cc2F)c1OC ZINC001174019028 808826290 /nfs/dbraw/zinc/82/62/90/808826290.db2.gz ZKMRLZHFRCFEIK-UHFFFAOYSA-N -1 3 281.258 3.431 20 0 CGADHM CS(=O)(=O)c1cccc(Nc2cccc(Cl)c2[O-])c1 ZINC001174030032 808831748 /nfs/dbraw/zinc/83/17/48/808831748.db2.gz YLEWANKDWNNENT-UHFFFAOYSA-N -1 3 297.763 3.193 20 0 CGADHM CC(C)(C)c1nc([N-]c2ccnc3ccccc23)no1 ZINC001174037615 808835003 /nfs/dbraw/zinc/83/50/03/808835003.db2.gz XHCFCTCXEZBFFN-UHFFFAOYSA-N -1 3 268.320 3.081 20 0 CGADHM Cc1ncc(Nc2ccc(OC(C)C)cc2)c(=O)[n-]1 ZINC001174109539 808870755 /nfs/dbraw/zinc/87/07/55/808870755.db2.gz LSBAVGSSYBFSLB-UHFFFAOYSA-N -1 3 259.309 3.021 20 0 CGADHM [O-]c1cc(Nc2ccc3n[nH]cc3c2)c(F)cc1F ZINC001174275056 808920848 /nfs/dbraw/zinc/92/08/48/808920848.db2.gz NAZOCYYUYRUJDK-UHFFFAOYSA-N -1 3 261.231 3.290 20 0 CGADHM [O-]c1cc(Nc2cccc3n[nH]cc32)c(F)cc1F ZINC001174344139 808964360 /nfs/dbraw/zinc/96/43/60/808964360.db2.gz OANFLXYWQKARRY-UHFFFAOYSA-N -1 3 261.231 3.290 20 0 CGADHM Cc1nc(Nc2cccc(C(F)F)c2)cc(=O)[n-]1 ZINC001174619208 809107101 /nfs/dbraw/zinc/10/71/01/809107101.db2.gz PPIZXHICPHOFJO-UHFFFAOYSA-N -1 3 251.236 3.172 20 0 CGADHM O=C1N=NC(=O)c2c(Nc3ccc([O-])c(F)c3)cccc21 ZINC001174737358 809146157 /nfs/dbraw/zinc/14/61/57/809146157.db2.gz CLNOPVWLYZHNOX-UHFFFAOYSA-N -1 3 285.234 3.021 20 0 CGADHM CCCc1cc(Nc2cc(F)c([O-])c(F)c2)on1 ZINC001213370502 815270948 /nfs/dbraw/zinc/27/09/48/815270948.db2.gz HGBHWVAFIYBZBW-UHFFFAOYSA-N -1 3 254.236 3.355 20 0 CGADHM COC(=O)c1sccc1Nc1cc(F)c([O-])c(F)c1 ZINC001213370780 815271116 /nfs/dbraw/zinc/27/11/16/815271116.db2.gz MXOJFDUEQZZLER-UHFFFAOYSA-N -1 3 285.271 3.262 20 0 CGADHM Cc1cc(Nc2cc(F)c([O-])c(F)c2)n(C(C)C)n1 ZINC001213370768 815271161 /nfs/dbraw/zinc/27/11/61/815271161.db2.gz MPJJOTPVCPGXAR-UHFFFAOYSA-N -1 3 267.279 3.500 20 0 CGADHM CCCCOc1ccccc1Nc1cc(=O)[n-]c(C)n1 ZINC001175000158 809234330 /nfs/dbraw/zinc/23/43/30/809234330.db2.gz NIPUJLSCEHDLHX-UHFFFAOYSA-N -1 3 273.336 3.413 20 0 CGADHM Cc1cc(Nc2cc(F)c([O-])c(F)c2)n(CC2CC2)n1 ZINC001213377494 815273383 /nfs/dbraw/zinc/27/33/83/815273383.db2.gz RIRCLZDQOIXZFP-UHFFFAOYSA-N -1 3 279.290 3.329 20 0 CGADHM CCNC(=O)c1ccccc1Nc1cc(F)c([O-])c(F)c1 ZINC001213381984 815273969 /nfs/dbraw/zinc/27/39/69/815273969.db2.gz TVARSWRQUHUOHZ-UHFFFAOYSA-N -1 3 292.285 3.164 20 0 CGADHM Cc1nc(Nc2cc(C(F)(F)F)ccc2F)cc(=O)[n-]1 ZINC001175075648 809260338 /nfs/dbraw/zinc/26/03/38/809260338.db2.gz YLWVVTNOLRUZDT-UHFFFAOYSA-N -1 3 287.216 3.392 20 0 CGADHM COc1ccc(Nc2c(F)cc([O-])cc2F)c(O)c1 ZINC001175098064 809269924 /nfs/dbraw/zinc/26/99/24/809269924.db2.gz XCCXPQSFMJPYDG-UHFFFAOYSA-N -1 3 267.231 3.128 20 0 CGADHM COC(=O)c1cc(Nc2c(F)cc([O-])cc2F)ccc1F ZINC001175100514 809272092 /nfs/dbraw/zinc/27/20/92/809272092.db2.gz WMLZXENZXVHXLF-UHFFFAOYSA-N -1 3 297.232 3.340 20 0 CGADHM COC(=O)c1ccc(Nc2c(F)cc([O-])cc2F)c(F)c1 ZINC001175100486 809272227 /nfs/dbraw/zinc/27/22/27/809272227.db2.gz VOLPQASAMAYHKD-UHFFFAOYSA-N -1 3 297.232 3.340 20 0 CGADHM [O-]c1ccc(Nc2cc(CO)ccc2F)c(F)c1F ZINC001175129655 809282398 /nfs/dbraw/zinc/28/23/98/809282398.db2.gz AAEHEXHQEWJOGG-UHFFFAOYSA-N -1 3 269.222 3.045 20 0 CGADHM CCCCOc1ccc(Nc2cnc[n-]c2=O)cc1 ZINC001175242004 809321381 /nfs/dbraw/zinc/32/13/81/809321381.db2.gz XBTJQSTYVBFMJW-UHFFFAOYSA-N -1 3 259.309 3.105 20 0 CGADHM Cn1c2ccccc2nc1Nc1c(F)ccc([O-])c1F ZINC001175260829 809328262 /nfs/dbraw/zinc/32/82/62/809328262.db2.gz CGMRAVDJBXDXHO-UHFFFAOYSA-N -1 3 275.258 3.301 20 0 CGADHM COc1ccc(C)nc1Nc1c(F)ccc([O-])c1F ZINC001175263339 809328824 /nfs/dbraw/zinc/32/88/24/809328824.db2.gz JNPLHXZRETVFOW-UHFFFAOYSA-N -1 3 266.247 3.126 20 0 CGADHM Nc1ccc(Cl)nc1Nc1c(F)ccc([O-])c1F ZINC001175263210 809329271 /nfs/dbraw/zinc/32/92/71/809329271.db2.gz QGXICKPJPDUQLR-UHFFFAOYSA-N -1 3 271.654 3.045 20 0 CGADHM Nc1c2ccnc-2n(-c2c(F)ccc([O-])c2F)cc1Cl ZINC001175263447 809329549 /nfs/dbraw/zinc/32/95/49/809329549.db2.gz UQUBIWRGRMHPNQ-UHFFFAOYSA-N -1 3 295.676 3.197 20 0 CGADHM [O-]c1ccc(F)c(Nc2cccc(C3OCCO3)c2)c1F ZINC001175268078 809332228 /nfs/dbraw/zinc/33/22/28/809332228.db2.gz GOYQTSIVTPEGKI-UHFFFAOYSA-N -1 3 293.269 3.459 20 0 CGADHM CC(=O)Nc1ccc(Nc2c(F)ccc([O-])c2F)cc1 ZINC001175267867 809332454 /nfs/dbraw/zinc/33/24/54/809332454.db2.gz AWLCJTZQMXRQEZ-UHFFFAOYSA-N -1 3 278.258 3.372 20 0 CGADHM Cc1ccc(N)cc1Nc1c(F)ccc([O-])c1F ZINC001175268501 809333129 /nfs/dbraw/zinc/33/31/29/809333129.db2.gz QXPBJXROKIDTIN-UHFFFAOYSA-N -1 3 250.248 3.305 20 0 CGADHM CCOc1ccc(F)cc1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175429892 809401273 /nfs/dbraw/zinc/40/12/73/809401273.db2.gz UKERNTDWJXBCEK-UHFFFAOYSA-N -1 3 299.309 3.148 20 0 CGADHM Cc1cccc(F)c1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175429745 809401748 /nfs/dbraw/zinc/40/17/48/809401748.db2.gz OIEROKHFPJPRQU-UHFFFAOYSA-N -1 3 269.283 3.058 20 0 CGADHM CCOc1ccc(Nc2ccc(-c3nn[n-]n3)cc2)cc1F ZINC001175431582 809402670 /nfs/dbraw/zinc/40/26/70/809402670.db2.gz JRXWZZRBJGNGPR-UHFFFAOYSA-N -1 3 299.309 3.148 20 0 CGADHM Cn1ncc2cccc(Nc3ccc([O-])c(F)c3F)c21 ZINC001175441968 809407217 /nfs/dbraw/zinc/40/72/17/809407217.db2.gz AIWVTBAWHMEOMH-UHFFFAOYSA-N -1 3 275.258 3.301 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)NCc1cc2ccccc2o1 ZINC001290994466 809419294 /nfs/dbraw/zinc/41/92/94/809419294.db2.gz MZKPWUWIWPPUHY-UHFFFAOYSA-N -1 3 299.301 3.136 20 0 CGADHM Cc1cccc([O-])c1C(=O)N(C)CCc1ccccc1F ZINC001292920706 809440525 /nfs/dbraw/zinc/44/05/25/809440525.db2.gz NGKWRRFCNGYPRD-UHFFFAOYSA-N -1 3 287.334 3.154 20 0 CGADHM CC(=CC(=O)Nc1[nH][n-]c2cc(=O)ccc1-2)c1cccs1 ZINC001298318115 809530997 /nfs/dbraw/zinc/53/09/97/809530997.db2.gz LEJXDCDHXVTTNC-VQHVLOKHSA-N -1 3 299.355 3.372 20 0 CGADHM CCc1ccc(C(=O)N[C@](C)(CC)C2CC2)c([O-])c1 ZINC001300981665 809577364 /nfs/dbraw/zinc/57/73/64/809577364.db2.gz CUHBXDYCVBPJRO-MRXNPFEDSA-N -1 3 261.365 3.263 20 0 CGADHM O=C(NCc1cccc(F)c1F)c1cc([O-])ccc1Cl ZINC001301810106 809587440 /nfs/dbraw/zinc/58/74/40/809587440.db2.gz QILQHEYDGVLSLC-UHFFFAOYSA-N -1 3 297.688 3.254 20 0 CGADHM CCNc1ccc(NC(=O)c2cccc(CC)c2[O-])cn1 ZINC001179711094 809939090 /nfs/dbraw/zinc/93/90/90/809939090.db2.gz BRNQAAQFHSOHQK-UHFFFAOYSA-N -1 3 285.347 3.034 20 0 CGADHM C[C@H](OCc1ccccc1)C(=O)Nc1ccc(F)c([O-])c1 ZINC001183494450 810149702 /nfs/dbraw/zinc/14/97/02/810149702.db2.gz NLQKRKASAGYGPF-NSHDSACASA-N -1 3 289.306 3.075 20 0 CGADHM CC(=O)c1cccc([O-])c1NC(=O)CC1(C)CCC1 ZINC001185103141 810235478 /nfs/dbraw/zinc/23/54/78/810235478.db2.gz FJXGSKYWABHYAP-UHFFFAOYSA-N -1 3 261.321 3.114 20 0 CGADHM O=C(Nc1ccc(C(F)(F)F)cc1[O-])NC1CCCC1 ZINC001185901502 810300581 /nfs/dbraw/zinc/30/05/81/810300581.db2.gz BMIUIJWWRTXJNY-UHFFFAOYSA-N -1 3 288.269 3.475 20 0 CGADHM Cc1nc(Nc2cc(F)cc(C)c2Cl)cc(=O)[n-]1 ZINC001214071827 815364478 /nfs/dbraw/zinc/36/44/78/815364478.db2.gz OJSRBCYNILWTFN-UHFFFAOYSA-N -1 3 267.691 3.335 20 0 CGADHM COc1ccc(C(=O)Nc2ccc(F)c([O-])c2)c(C)c1C ZINC001188071789 810449687 /nfs/dbraw/zinc/44/96/87/810449687.db2.gz KYJPGMSYWDRIMH-UHFFFAOYSA-N -1 3 289.306 3.409 20 0 CGADHM Cc1cccc([O-])c1C(=O)Nc1cccc(C(F)(F)F)n1 ZINC001188639039 810496530 /nfs/dbraw/zinc/49/65/30/810496530.db2.gz URUAOMLYUUBJAW-UHFFFAOYSA-N -1 3 296.248 3.367 20 0 CGADHM Cc1cccc([O-])c1C(=O)N[C@H](C)CCc1ccccc1 ZINC001188659293 810500337 /nfs/dbraw/zinc/50/03/37/810500337.db2.gz KHTDQNDRCDTWJJ-CQSZACIVSA-N -1 3 283.371 3.452 20 0 CGADHM CC(C)(O)c1ccc(C(=O)Nc2ccc(F)c([O-])c2)cc1 ZINC001192580444 810809661 /nfs/dbraw/zinc/80/96/61/810809661.db2.gz QEUOIURPAAVVAK-UHFFFAOYSA-N -1 3 289.306 3.011 20 0 CGADHM O=S(=O)(CC1CCC1)[N-]c1cc(F)c(Cl)cc1F ZINC001193523749 810903680 /nfs/dbraw/zinc/90/36/80/810903680.db2.gz LKBXKTSLZGNKQL-UHFFFAOYSA-N -1 3 295.738 3.160 20 0 CGADHM Cc1cc(O)cc([O-])c1C(=O)Nc1ccc2c(ccn2C)c1 ZINC001193935769 810982212 /nfs/dbraw/zinc/98/22/12/810982212.db2.gz CYFHLZCNCFYTME-UHFFFAOYSA-N -1 3 296.326 3.150 20 0 CGADHM Cc1cc(O)cc([O-])c1C(=O)N[C@@H]1C[C@@H](C)c2ccccc21 ZINC001193946614 810984794 /nfs/dbraw/zinc/98/47/94/810984794.db2.gz VUMYZZLIQRHRDY-MEBBXXQBSA-N -1 3 297.354 3.385 20 0 CGADHM COc1ccc(OC(=O)Nc2ccc([O-])cc2F)cc1 ZINC001194532964 811087304 /nfs/dbraw/zinc/08/73/04/811087304.db2.gz HAJOOCGRQFFYTG-UHFFFAOYSA-N -1 3 277.251 3.151 20 0 CGADHM CCn1nccc1Nc1c(Cl)ccc([O-])c1F ZINC001214553844 815422059 /nfs/dbraw/zinc/42/20/59/815422059.db2.gz CCBNTWQMANYGIF-UHFFFAOYSA-N -1 3 255.680 3.145 20 0 CGADHM CCC(CC)COC(=O)Nc1cc([O-])ccc1C(=O)OC ZINC001194713297 811112973 /nfs/dbraw/zinc/11/29/73/811112973.db2.gz SVYLQLHBWBBNEE-UHFFFAOYSA-N -1 3 295.335 3.164 20 0 CGADHM Cn1nc(Nc2c(Cl)ccc([O-])c2F)c2cccnc21 ZINC001214554054 815422189 /nfs/dbraw/zinc/42/21/89/815422189.db2.gz IWOMHLOARVPJAK-UHFFFAOYSA-N -1 3 292.701 3.210 20 0 CGADHM CCn1ncc(Nc2c(Cl)ccc([O-])c2F)c1C ZINC001214553855 815422501 /nfs/dbraw/zinc/42/25/01/815422501.db2.gz CUEYUTPJAZENJQ-UHFFFAOYSA-N -1 3 269.707 3.453 20 0 CGADHM Cc1ccc(C(N)=O)c(Nc2c(Cl)ccc([O-])c2F)c1 ZINC001214561640 815424886 /nfs/dbraw/zinc/42/48/86/815424886.db2.gz WEQJECCFYYQDCI-UHFFFAOYSA-N -1 3 294.713 3.336 20 0 CGADHM Nc1cccc2c1CCN2c1c(Cl)ccc([O-])c1F ZINC001214564773 815425640 /nfs/dbraw/zinc/42/56/40/815425640.db2.gz MAJGVRMSFWBCBO-UHFFFAOYSA-N -1 3 278.714 3.461 20 0 CGADHM [O-]c1ccc(Cl)c(Nc2cnccc2F)c1F ZINC001214558225 815424715 /nfs/dbraw/zinc/42/47/15/815424715.db2.gz TZOXOXXFFPZBNS-UHFFFAOYSA-N -1 3 256.639 3.462 20 0 CGADHM O=C([N-]c1nnco1)c1sccc1-c1ccccc1 ZINC001195710672 811280669 /nfs/dbraw/zinc/28/06/69/811280669.db2.gz VNAFKYDQMJRTOS-UHFFFAOYSA-N -1 3 271.301 3.050 20 0 CGADHM Cc1cc([N-]S(=O)(=O)c2ccc(O)cc2)ccc1Cl ZINC001195794678 811293374 /nfs/dbraw/zinc/29/33/74/811293374.db2.gz FYPRWNGCYSXFMV-UHFFFAOYSA-N -1 3 297.763 3.155 20 0 CGADHM O=S(=O)(NCCC1CCCCCC1)c1ccc([O-])cc1 ZINC001195818650 811295022 /nfs/dbraw/zinc/29/50/22/811295022.db2.gz OHEBAVJXLBKSDT-UHFFFAOYSA-N -1 3 297.420 3.031 20 0 CGADHM [O-]c1cccc(F)c1NC(=S)NCc1ccc(F)cc1 ZINC001196487163 811348370 /nfs/dbraw/zinc/34/83/70/811348370.db2.gz DVFFHVDWTDWFJW-UHFFFAOYSA-N -1 3 294.326 3.157 20 0 CGADHM Cc1nc(Cl)cc(Cl)c1C(=O)Nc1cncc([O-])c1 ZINC001196682733 811358570 /nfs/dbraw/zinc/35/85/70/811358570.db2.gz MMIRLKFCOWYAMY-UHFFFAOYSA-N -1 3 298.129 3.050 20 0 CGADHM O=C(Nc1cncc([O-])c1)c1c[nH]c(-c2ccc(F)cc2)c1 ZINC001196961821 811387170 /nfs/dbraw/zinc/38/71/70/811387170.db2.gz YQWNVXVVCRWMNF-UHFFFAOYSA-N -1 3 297.289 3.174 20 0 CGADHM Cc1cc(CO)cc(C)c1[N-]c1nnc(C(C)(C)C)o1 ZINC001214944614 815466261 /nfs/dbraw/zinc/46/62/61/815466261.db2.gz XZNLVOOHWIKAMD-UHFFFAOYSA-N -1 3 275.352 3.220 20 0 CGADHM CC(=O)c1cc(Cl)nc(Cl)c1Nc1cncc([O-])c1 ZINC001201632582 811925598 /nfs/dbraw/zinc/92/55/98/811925598.db2.gz KGFHWUFRUNQKGY-UHFFFAOYSA-N -1 3 298.129 3.435 20 0 CGADHM O=C([N-]c1cc(C(F)(F)F)no1)Nc1ccccc1 ZINC001201945929 811979637 /nfs/dbraw/zinc/97/96/37/811979637.db2.gz ACSQRHKTRUXSOB-UHFFFAOYSA-N -1 3 271.198 3.337 20 0 CGADHM O=C(Nc1ccc(F)cc1F)Nc1ncc([O-])cc1Cl ZINC001202015481 811997414 /nfs/dbraw/zinc/99/74/14/811997414.db2.gz QCEBCXGEVUHZCG-UHFFFAOYSA-N -1 3 299.664 3.363 20 0 CGADHM O=C(Nc1cncc([O-])c1)Nc1ccccc1C(F)(F)F ZINC001202155961 812026161 /nfs/dbraw/zinc/02/61/61/812026161.db2.gz AJXGYUAOEMKPJI-UHFFFAOYSA-N -1 3 297.236 3.450 20 0 CGADHM O=C(Nc1ccc(Cl)cc1)Nc1cncc([O-])c1 ZINC001202364639 812076667 /nfs/dbraw/zinc/07/66/67/812076667.db2.gz OFXHVNDRJPFXEI-UHFFFAOYSA-N -1 3 263.684 3.085 20 0 CGADHM COc1ccc(-c2noc(-c3c([O-])cccc3O)n2)c(C)c1 ZINC001215301624 815505108 /nfs/dbraw/zinc/50/51/08/815505108.db2.gz CGUBJOUPLNTSAD-UHFFFAOYSA-N -1 3 298.298 3.132 20 0 CGADHM COc1ccc(NC(=O)Nc2ccc(F)c([O-])c2)c(C)c1 ZINC001202726364 812158379 /nfs/dbraw/zinc/15/83/79/812158379.db2.gz ZUTBMWAIBMUFHU-UHFFFAOYSA-N -1 3 290.294 3.492 20 0 CGADHM CSc1ccc(F)cc1Nc1cc(=O)[n-]c(=S)[nH]1 ZINC001215446390 815520042 /nfs/dbraw/zinc/52/00/42/815520042.db2.gz QSXDCARJFCSYQF-UHFFFAOYSA-N -1 3 283.353 3.076 20 0 CGADHM Cc1nc(Nc2ccc(N3CCCCC3)cc2)cc(=O)[n-]1 ZINC001203712915 812437831 /nfs/dbraw/zinc/43/78/31/812437831.db2.gz QTNLUEYKPDUIHB-UHFFFAOYSA-N -1 3 284.363 3.225 20 0 CGADHM [O-]c1cccc(Nc2cnn(C3CCOCC3)c2)c1Cl ZINC001203909295 812489750 /nfs/dbraw/zinc/48/97/50/812489750.db2.gz QNLGXWFDZTVAET-UHFFFAOYSA-N -1 3 293.754 3.337 20 0 CGADHM [O-]c1ccc(Nc2cc3n[nH]cc3c(F)c2)c(F)c1F ZINC001215554669 815532932 /nfs/dbraw/zinc/53/29/32/815532932.db2.gz DAHWKLRKRDIMNK-UHFFFAOYSA-N -1 3 279.221 3.429 20 0 CGADHM [O-]c1ccc(Nc2cc3[nH]ncc3c(F)c2)c(F)c1F ZINC001215554669 815532934 /nfs/dbraw/zinc/53/29/34/815532934.db2.gz DAHWKLRKRDIMNK-UHFFFAOYSA-N -1 3 279.221 3.429 20 0 CGADHM COC(=O)c1ccsc1Nc1cc(F)c([O-])cc1F ZINC001215570866 815536112 /nfs/dbraw/zinc/53/61/12/815536112.db2.gz YXKJCTRSVQJGMW-UHFFFAOYSA-N -1 3 285.271 3.262 20 0 CGADHM Cc1ncc(Nc2cc(C(=O)[O-])cc(C(F)(F)F)c2)n1C ZINC001215643119 815550519 /nfs/dbraw/zinc/55/05/19/815550519.db2.gz NIINPLHPMNPTTM-UHFFFAOYSA-N -1 3 299.252 3.189 20 0 CGADHM Cc1cc(-c2cncc(-c3nnn[n-]3)c2)cc(C)c1Cl ZINC001205052523 812840223 /nfs/dbraw/zinc/84/02/23/812840223.db2.gz XNPLHKWQUZTVHS-UHFFFAOYSA-N -1 3 285.738 3.199 20 0 CGADHM Cc1cc(-c2cncc(-c3nn[n-]n3)c2)cc(C)c1Cl ZINC001205052523 812840234 /nfs/dbraw/zinc/84/02/34/812840234.db2.gz XNPLHKWQUZTVHS-UHFFFAOYSA-N -1 3 285.738 3.199 20 0 CGADHM [O-]c1ccc(-c2nnc3ccccc3n2)c(C(F)(F)F)c1 ZINC001205080162 812852158 /nfs/dbraw/zinc/85/21/58/812852158.db2.gz LXNGQJGVNLXOSY-UHFFFAOYSA-N -1 3 291.232 3.416 20 0 CGADHM COc1ccc(Nc2c(F)cc([O-])cc2F)c2c[nH]nc21 ZINC001215753913 815575381 /nfs/dbraw/zinc/57/53/81/815575381.db2.gz UPXJOGUNVGFIEL-UHFFFAOYSA-N -1 3 291.257 3.299 20 0 CGADHM CC(C)Cn1cc(Nc2cc(=O)n(-c3ccccc3)[n-]2)cn1 ZINC001205849817 813107104 /nfs/dbraw/zinc/10/71/04/813107104.db2.gz CBLGBWMFYQXTGB-UHFFFAOYSA-N -1 3 297.362 3.174 20 0 CGADHM Cc1ccc(Nc2ccnc(Cl)c2[O-])c2cn[nH]c21 ZINC001215756665 815577746 /nfs/dbraw/zinc/57/77/46/815577746.db2.gz VOKOBNZOLUYODD-UHFFFAOYSA-N -1 3 274.711 3.369 20 0 CGADHM COc1nc2ccccc2nc1-c1ccc([O-])cc1F ZINC001206021176 813168554 /nfs/dbraw/zinc/16/85/54/813168554.db2.gz IAAKJQLHSNCTFL-UHFFFAOYSA-N -1 3 270.263 3.150 20 0 CGADHM COc1ccc2nc(-c3ccc([O-])cc3F)ncc2c1 ZINC001206029783 813171997 /nfs/dbraw/zinc/17/19/97/813171997.db2.gz JNZZJOACGGBYJI-UHFFFAOYSA-N -1 3 270.263 3.150 20 0 CGADHM Cc1nc(-c2cccnc2)cc(-c2ccc([O-])cc2F)n1 ZINC001206044638 813179691 /nfs/dbraw/zinc/17/96/91/813179691.db2.gz QKDZRMLAVYLDAJ-UHFFFAOYSA-N -1 3 281.290 3.359 20 0 CGADHM C[C@H]1CCc2nnc(-c3ccc([O-])cc3F)cc2C1 ZINC001206044652 813179897 /nfs/dbraw/zinc/17/98/97/813179897.db2.gz QQTXQAQCCFPPJF-VIFPVBQESA-N -1 3 258.296 3.113 20 0 CGADHM COC(=O)C(C)(C)c1ccnc(-c2ccc([O-])cc2F)c1 ZINC001206072823 813190427 /nfs/dbraw/zinc/19/04/27/813190427.db2.gz HQOZMRWJADAUGU-UHFFFAOYSA-N -1 3 289.306 3.044 20 0 CGADHM COC(=O)c1c(F)cc(C)cc1-c1ccc([O-])cc1F ZINC001206088842 813195904 /nfs/dbraw/zinc/19/59/04/813195904.db2.gz QQRDSIFAQYHHTH-UHFFFAOYSA-N -1 3 278.254 3.432 20 0 CGADHM O=c1cc(Nc2ccc3cnccc3c2)nc(C2CC2)[n-]1 ZINC001210045279 814263777 /nfs/dbraw/zinc/26/37/77/814263777.db2.gz GZNZHSVIJOKQNE-UHFFFAOYSA-N -1 3 278.315 3.351 20 0 CGADHM COC(=O)c1ccc(O)c(Nc2cccc(Cl)c2[O-])c1 ZINC001210222277 814348679 /nfs/dbraw/zinc/34/86/79/814348679.db2.gz YRBUNPYVUFFMMG-UHFFFAOYSA-N -1 3 293.706 3.281 20 0 CGADHM CC(C)n1cc([N-]c2nc3ccc(F)cc3o2)cn1 ZINC001210318470 814403112 /nfs/dbraw/zinc/40/31/12/814403112.db2.gz XTBUSKAANZBWAO-UHFFFAOYSA-N -1 3 260.272 3.488 20 0 CGADHM C[C@H](O)c1cccc(Nc2cc(F)c([O-])c(F)c2)c1 ZINC001210509726 814499335 /nfs/dbraw/zinc/49/93/35/814499335.db2.gz UTGRUUJGGFIPEV-QMMMGPOBSA-N -1 3 265.259 3.467 20 0 CGADHM CC(C)n1nccc1Nc1cc(F)cc(F)c1[O-] ZINC001210524583 814508217 /nfs/dbraw/zinc/50/82/17/814508217.db2.gz LAEIUXBJJDXGQO-UHFFFAOYSA-N -1 3 253.252 3.191 20 0 CGADHM COc1nc(-c2cc([O-])cc(C(F)(F)F)c2)ncc1F ZINC001242779990 823131223 /nfs/dbraw/zinc/13/12/23/823131223.db2.gz HCUSYTCEUNFOPJ-UHFFFAOYSA-N -1 3 288.200 3.016 20 0 CGADHM CSc1ccc(Nc2ccc(C(N)=O)c([O-])c2)c(F)c1 ZINC001210873136 814659590 /nfs/dbraw/zinc/65/95/90/814659590.db2.gz OHZGAQHVVYOQHR-UHFFFAOYSA-N -1 3 292.335 3.096 20 0 CGADHM CCc1[nH]nc2ncc(Nc3cc(F)c([O-])cc3F)cc21 ZINC001210886147 814665109 /nfs/dbraw/zinc/66/51/09/814665109.db2.gz ZGRZFMZXEWVNRN-UHFFFAOYSA-N -1 3 290.273 3.248 20 0 CGADHM CCCn1nccc1Nc1cc(F)c(F)cc1[O-] ZINC001210917533 814674191 /nfs/dbraw/zinc/67/41/91/814674191.db2.gz KJUWTIFFCAOEKR-UHFFFAOYSA-N -1 3 253.252 3.021 20 0 CGADHM COc1nccc(Nc2cccc([O-])c2Cl)c1OC ZINC001211088211 814740214 /nfs/dbraw/zinc/74/02/14/814740214.db2.gz YFFCRTWZVHCICE-UHFFFAOYSA-N -1 3 280.711 3.201 20 0 CGADHM CSc1cc(F)cc(Nc2ccc(C(N)=O)c([O-])c2)c1 ZINC001215905192 815625744 /nfs/dbraw/zinc/62/57/44/815625744.db2.gz AXUSYHCSSMVALK-UHFFFAOYSA-N -1 3 292.335 3.096 20 0 CGADHM CCOc1ccc(C)c(Nc2ncc(F)cc2[O-])c1 ZINC001216235802 815749782 /nfs/dbraw/zinc/74/97/82/815749782.db2.gz CUHQNSUWVLLIFV-UHFFFAOYSA-N -1 3 262.284 3.377 20 0 CGADHM Cc1c(CO)ccc([N-]c2nonc2C2CC2)c1Cl ZINC001216329072 815785727 /nfs/dbraw/zinc/78/57/27/815785727.db2.gz CCBQBOYZDNOTBW-UHFFFAOYSA-N -1 3 279.727 3.145 20 0 CGADHM O=C1CCCc2ccc(-c3cccc(-c4nnn[n-]4)c3)cc21 ZINC001242857509 823154123 /nfs/dbraw/zinc/15/41/23/823154123.db2.gz HKJOXXDQHUAFJB-UHFFFAOYSA-N -1 3 290.326 3.053 20 0 CGADHM O=C1CCCc2ccc(-c3cccc(-c4nn[n-]n4)c3)cc21 ZINC001242857509 823154126 /nfs/dbraw/zinc/15/41/26/823154126.db2.gz HKJOXXDQHUAFJB-UHFFFAOYSA-N -1 3 290.326 3.053 20 0 CGADHM COCn1cc([N-]c2nc3cc(Cl)ccc3o2)cn1 ZINC001216571831 815860773 /nfs/dbraw/zinc/86/07/73/815860773.db2.gz JSUWNMXOVRBRIR-UHFFFAOYSA-N -1 3 278.699 3.025 20 0 CGADHM COc1ccccc1-c1noc(-c2nc3ccccc3[n-]2)n1 ZINC001217137398 815910769 /nfs/dbraw/zinc/91/07/69/815910769.db2.gz XWMMJCAHPBOBSM-UHFFFAOYSA-N -1 3 292.298 3.289 20 0 CGADHM COc1ccc(O)cc1-c1ccc2c(c1)[N-]C(=S)C2 ZINC001222655759 816492749 /nfs/dbraw/zinc/49/27/49/816492749.db2.gz SZJFFUIBTLSZNR-UHFFFAOYSA-N -1 3 271.341 3.363 20 0 CGADHM CSc1cc(-c2ccc(F)c([O-])c2)nc(SC)n1 ZINC001243048063 823224972 /nfs/dbraw/zinc/22/49/72/823224972.db2.gz DVGTUMMDKHZINR-UHFFFAOYSA-N -1 3 282.365 3.432 20 0 CGADHM [O-]c1cc(-c2cccc(N3CCOCC3)c2)ccc1F ZINC001243048132 823225086 /nfs/dbraw/zinc/22/50/86/823225086.db2.gz HXKMGWNHFVFQIO-UHFFFAOYSA-N -1 3 273.307 3.035 20 0 CGADHM COCc1ccc(F)c(-c2ccc(F)c([O-])c2)c1 ZINC001243052024 823228733 /nfs/dbraw/zinc/22/87/33/823228733.db2.gz TVMQSXDPSIDIBW-UHFFFAOYSA-N -1 3 250.244 3.484 20 0 CGADHM CSc1nc2c(c(-c3ccc(F)c([O-])c3)n1)CCC2 ZINC001243049121 823226139 /nfs/dbraw/zinc/22/61/39/823226139.db2.gz OXLRRGZJLNTYEZ-UHFFFAOYSA-N -1 3 276.336 3.199 20 0 CGADHM COc1nnc(-c2ccc(F)c([O-])c2)cc1C(F)(F)F ZINC001243049652 823226371 /nfs/dbraw/zinc/22/63/71/823226371.db2.gz NEELIZYSPUUTFW-UHFFFAOYSA-N -1 3 288.200 3.016 20 0 CGADHM O=C1c2cc(-c3ccc(F)c([O-])c3)ccc2CN1C1CC1 ZINC001243049866 823226600 /nfs/dbraw/zinc/22/66/00/823226600.db2.gz ASHHFPPVAQVILY-UHFFFAOYSA-N -1 3 283.302 3.317 20 0 CGADHM COC(=O)/C=C/c1ccc(-c2ccc(F)c([O-])c2)cc1 ZINC001243049816 823227003 /nfs/dbraw/zinc/22/70/03/823227003.db2.gz GKSRRFJTCCLPSK-RUDMXATFSA-N -1 3 272.275 3.385 20 0 CGADHM Nc1cc(C(F)(F)F)cnc1-c1ccc(F)c([O-])c1 ZINC001243050517 823227637 /nfs/dbraw/zinc/22/76/37/823227637.db2.gz VYKCEIYBDJIFFI-UHFFFAOYSA-N -1 3 272.201 3.194 20 0 CGADHM [O-]c1cc(-c2cnc(C(F)(F)F)nc2)ccc1F ZINC001243050769 823227639 /nfs/dbraw/zinc/22/76/39/823227639.db2.gz XDUWBWKNQHMTLS-UHFFFAOYSA-N -1 3 258.174 3.007 20 0 CGADHM CCOC(=O)Cc1ccnc(-c2ccc(F)c([O-])c2)c1C ZINC001243053887 823229409 /nfs/dbraw/zinc/22/94/09/823229409.db2.gz HZYRHQRIIYIQPQ-UHFFFAOYSA-N -1 3 289.306 3.007 20 0 CGADHM Cc1ccccc1OC[C@@H](C)Oc1ccc2c([O-])coc2c1 ZINC001225340077 817016758 /nfs/dbraw/zinc/01/67/58/817016758.db2.gz BQCLWTUHEARLQU-CYBMUJFWSA-N -1 3 298.338 3.416 20 0 CGADHM C[C@@H]1CC[C@@H](C)[C@@H](Oc2ccc3c([O-])coc3c2)C1 ZINC001225341962 817017404 /nfs/dbraw/zinc/01/74/04/817017404.db2.gz GXAPZKGBZVKUCC-HFAKWTLXSA-N -1 3 260.333 3.465 20 0 CGADHM C[C@@H](COc1ccc2c([O-])coc2c1)Oc1ccccc1 ZINC001225340310 817017581 /nfs/dbraw/zinc/01/75/81/817017581.db2.gz HWPRALVUGLYYKJ-LBPRGKRZSA-N -1 3 284.311 3.108 20 0 CGADHM C[C@H](Cc1ccccc1)Oc1[n-]c(=O)ncc1C(F)(F)F ZINC001225579785 817099871 /nfs/dbraw/zinc/09/98/71/817099871.db2.gz PZASBTANPQLVQW-SECBINFHSA-N -1 3 298.264 3.211 20 0 CGADHM Cc1cnc(=S)[n-]c1O[C@@H](C)CCc1ccccc1 ZINC001225741033 817162275 /nfs/dbraw/zinc/16/22/75/817162275.db2.gz NXDKUUUBIOLKIQ-LBPRGKRZSA-N -1 3 274.389 3.474 20 0 CGADHM Cc1ccc2c(c1)CC[C@H]2Oc1[n-]c(=S)ncc1C ZINC001225742143 817163774 /nfs/dbraw/zinc/16/37/74/817163774.db2.gz HZOXRAHFRRJMOR-CYBMUJFWSA-N -1 3 272.373 3.448 20 0 CGADHM CCC[C@H](Oc1nc[n-]c(=O)c1C)c1ccccc1 ZINC001226075117 817265724 /nfs/dbraw/zinc/26/57/24/817265724.db2.gz FNOOTXOWRVGFCL-ZDUSSCGKSA-N -1 3 258.321 3.411 20 0 CGADHM FC1(F)C[C@H](Oc2[n-]c(=S)ncc2C2CC2)C1(F)F ZINC001226118314 817278771 /nfs/dbraw/zinc/27/87/71/817278771.db2.gz CYHFKWFFJJXGEN-ZETCQYMHSA-N -1 3 294.273 3.064 20 0 CGADHM CCCOc1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC001243129645 823256089 /nfs/dbraw/zinc/25/60/89/823256089.db2.gz QVHKXEHSSLHNAK-UHFFFAOYSA-N -1 3 280.331 3.323 20 0 CGADHM CCCOc1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC001243129645 823256095 /nfs/dbraw/zinc/25/60/95/823256095.db2.gz QVHKXEHSSLHNAK-UHFFFAOYSA-N -1 3 280.331 3.323 20 0 CGADHM CC(=O)c1ccc([O-])c(O[C@H](C)Cc2ccccc2)c1O ZINC001226482731 817372258 /nfs/dbraw/zinc/37/22/58/817372258.db2.gz PIMKNPZYGUXEBP-LLVKDONJSA-N -1 3 286.327 3.310 20 0 CGADHM O=c1ccc2ccc([O-])c(O[C@H]3CCCC[C@H]3F)c2o1 ZINC001226598295 817409872 /nfs/dbraw/zinc/40/98/72/817409872.db2.gz CPSMSQGHSLDQIT-PWSUYJOCSA-N -1 3 278.279 3.158 20 0 CGADHM CCOC(=O)[C@@H]1CC[C@@H](Oc2cccc([O-])c2Cl)C1 ZINC001226709790 817442267 /nfs/dbraw/zinc/44/22/67/817442267.db2.gz SPTRZGQYKIEBDY-NXEZZACHSA-N -1 3 284.739 3.156 20 0 CGADHM Cc1cc(O[C@H](C)c2cccs2)[n-]c(=S)n1 ZINC001226799800 817468400 /nfs/dbraw/zinc/46/84/00/817468400.db2.gz AYRPQDBZIFZRFU-MRVPVSSYSA-N -1 3 252.364 3.275 20 0 CGADHM Cc1cccc2c1CC[C@@H]2Oc1ccnc(=S)[n-]1 ZINC001226937968 817510664 /nfs/dbraw/zinc/51/06/64/817510664.db2.gz UXPWCZNSTHWNRI-LBPRGKRZSA-N -1 3 258.346 3.140 20 0 CGADHM C[C@H](Oc1cnc[n-]c1=O)c1ccc(Br)cc1 ZINC001227048504 817543574 /nfs/dbraw/zinc/54/35/74/817543574.db2.gz FDGFBUVRNWSBHE-QMMMGPOBSA-N -1 3 295.136 3.085 20 0 CGADHM O=c1[n-]cncc1O[C@H]1CCc2cc(C(F)(F)F)ccc21 ZINC001227051584 817544619 /nfs/dbraw/zinc/54/46/19/817544619.db2.gz LYGAHNRLQFACRF-NSHDSACASA-N -1 3 296.248 3.267 20 0 CGADHM CCCc1cc(O[C@@H]2CCc3cccnc32)[n-]c(=S)n1 ZINC001227422520 817646207 /nfs/dbraw/zinc/64/62/07/817646207.db2.gz PGJZPNYCRGKWNS-GFCCVEGCSA-N -1 3 287.388 3.179 20 0 CGADHM COC(C)(C)C[C@@H](C)Oc1cc(=O)cc(C(F)(F)F)[n-]1 ZINC001227584883 817675841 /nfs/dbraw/zinc/67/58/41/817675841.db2.gz XEJFJHNCUQXKIC-MRVPVSSYSA-N -1 3 293.285 3.388 20 0 CGADHM CC[C@H](COC)Oc1c([O-])cc(Br)cc1F ZINC001227589134 817677634 /nfs/dbraw/zinc/67/76/34/817677634.db2.gz ZVRQNYUAYKNZPG-MRVPVSSYSA-N -1 3 293.132 3.098 20 0 CGADHM COC(=O)c1ccc([O-])c(O[C@H](C)CCC=C(C)C)n1 ZINC001227820044 817727056 /nfs/dbraw/zinc/72/70/56/817727056.db2.gz MOQGTZYFRNJKSJ-LLVKDONJSA-N -1 3 279.336 3.088 20 0 CGADHM COC(=O)c1ccc([O-])c(O[C@H](C)CCCC(C)C)n1 ZINC001227820708 817727092 /nfs/dbraw/zinc/72/70/92/817727092.db2.gz ZOQXPIQKPLJHRT-LLVKDONJSA-N -1 3 281.352 3.167 20 0 CGADHM [O-]c1cc(Cl)cnc1OC[C@@H]1CCc2ccccc2O1 ZINC001227980064 817771459 /nfs/dbraw/zinc/77/14/59/817771459.db2.gz LCQJDGCCOYSLGQ-LBPRGKRZSA-N -1 3 291.734 3.213 20 0 CGADHM C[C@H](Oc1ncc(Cl)cc1[O-])c1cnc2ccccn21 ZINC001227984294 817773641 /nfs/dbraw/zinc/77/36/41/817773641.db2.gz RHOLNJAEVHOUMB-VIFPVBQESA-N -1 3 289.722 3.228 20 0 CGADHM CCCc1c([O-])ccc(C(C)=O)c1O[C@H]1CCOC[C@@H]1F ZINC001228136701 817821754 /nfs/dbraw/zinc/82/17/54/817821754.db2.gz PTJWZBVJLKYZPT-ZFWWWQNUSA-N -1 3 296.338 3.053 20 0 CGADHM CC(C)Oc1cc(C(=O)c2ccccc2)ccc1[O-] ZINC001228150703 817825494 /nfs/dbraw/zinc/82/54/94/817825494.db2.gz AJUSRQKRDPZQBP-UHFFFAOYSA-N -1 3 256.301 3.410 20 0 CGADHM CC[C@@H](Oc1nnc(-c2cccnc2)[n-]1)c1ccccc1 ZINC001228693613 817974450 /nfs/dbraw/zinc/97/44/50/817974450.db2.gz AFUTUHLTYJPYRS-CQSZACIVSA-N -1 3 280.331 3.397 20 0 CGADHM CC[C@@H](Oc1nc(-c2cccnc2)n[n-]1)c1ccccc1 ZINC001228693613 817974457 /nfs/dbraw/zinc/97/44/57/817974457.db2.gz AFUTUHLTYJPYRS-CQSZACIVSA-N -1 3 280.331 3.397 20 0 CGADHM CC[C@@H](Oc1n[n-]c(-c2cccnc2)n1)c1ccccc1 ZINC001228693613 817974465 /nfs/dbraw/zinc/97/44/65/817974465.db2.gz AFUTUHLTYJPYRS-CQSZACIVSA-N -1 3 280.331 3.397 20 0 CGADHM C[C@H](Oc1nnc(-c2cccnc2)[n-]1)c1ccccc1 ZINC001228694683 817974496 /nfs/dbraw/zinc/97/44/96/817974496.db2.gz DINDMTZXGUWFPZ-NSHDSACASA-N -1 3 266.304 3.007 20 0 CGADHM C[C@H](Oc1nc(-c2cccnc2)n[n-]1)c1ccccc1 ZINC001228694683 817974501 /nfs/dbraw/zinc/97/45/01/817974501.db2.gz DINDMTZXGUWFPZ-NSHDSACASA-N -1 3 266.304 3.007 20 0 CGADHM C[C@H](Oc1n[n-]c(-c2cccnc2)n1)c1ccccc1 ZINC001228694683 817974510 /nfs/dbraw/zinc/97/45/10/817974510.db2.gz DINDMTZXGUWFPZ-NSHDSACASA-N -1 3 266.304 3.007 20 0 CGADHM C[C@@H](CCc1ccccc1)Oc1nnc(-c2cccnc2)[n-]1 ZINC001228693703 817974937 /nfs/dbraw/zinc/97/49/37/817974937.db2.gz CIGQOPFASDSPKX-ZDUSSCGKSA-N -1 3 294.358 3.267 20 0 CGADHM C[C@@H](CCc1ccccc1)Oc1nc(-c2cccnc2)n[n-]1 ZINC001228693703 817974941 /nfs/dbraw/zinc/97/49/41/817974941.db2.gz CIGQOPFASDSPKX-ZDUSSCGKSA-N -1 3 294.358 3.267 20 0 CGADHM C[C@@H](CCc1ccccc1)Oc1n[n-]c(-c2cccnc2)n1 ZINC001228693703 817974948 /nfs/dbraw/zinc/97/49/48/817974948.db2.gz CIGQOPFASDSPKX-ZDUSSCGKSA-N -1 3 294.358 3.267 20 0 CGADHM C[C@H](Oc1nnc(-c2cccnc2)[n-]1)c1cccs1 ZINC001228693629 817975551 /nfs/dbraw/zinc/97/55/51/817975551.db2.gz APSUQQOBQXDAAG-VIFPVBQESA-N -1 3 272.333 3.068 20 0 CGADHM C[C@H](Oc1nc(-c2cccnc2)n[n-]1)c1cccs1 ZINC001228693629 817975557 /nfs/dbraw/zinc/97/55/57/817975557.db2.gz APSUQQOBQXDAAG-VIFPVBQESA-N -1 3 272.333 3.068 20 0 CGADHM C[C@H](Oc1n[n-]c(-c2cccnc2)n1)c1cccs1 ZINC001228693629 817975562 /nfs/dbraw/zinc/97/55/62/817975562.db2.gz APSUQQOBQXDAAG-VIFPVBQESA-N -1 3 272.333 3.068 20 0 CGADHM CCC[C@H](Oc1nnc(-c2cccnc2)[n-]1)[C@H](C)CC ZINC001228697372 817977483 /nfs/dbraw/zinc/97/74/83/817977483.db2.gz IAECNKNTIGNPIM-YPMHNXCESA-N -1 3 274.368 3.460 20 0 CGADHM CCC[C@H](Oc1nc(-c2cccnc2)n[n-]1)[C@H](C)CC ZINC001228697372 817977490 /nfs/dbraw/zinc/97/74/90/817977490.db2.gz IAECNKNTIGNPIM-YPMHNXCESA-N -1 3 274.368 3.460 20 0 CGADHM CCC[C@H](Oc1n[n-]c(-c2cccnc2)n1)[C@H](C)CC ZINC001228697372 817977494 /nfs/dbraw/zinc/97/74/94/817977494.db2.gz IAECNKNTIGNPIM-YPMHNXCESA-N -1 3 274.368 3.460 20 0 CGADHM COc1ccc([C@@H](C)Oc2nnc(-c3cccnc3)[n-]2)cc1 ZINC001228698799 817978719 /nfs/dbraw/zinc/97/87/19/817978719.db2.gz SYFYGLVTJACYDM-LLVKDONJSA-N -1 3 296.330 3.015 20 0 CGADHM COc1ccc([C@@H](C)Oc2nc(-c3cccnc3)n[n-]2)cc1 ZINC001228698799 817978726 /nfs/dbraw/zinc/97/87/26/817978726.db2.gz SYFYGLVTJACYDM-LLVKDONJSA-N -1 3 296.330 3.015 20 0 CGADHM COc1ccc([C@@H](C)Oc2n[n-]c(-c3cccnc3)n2)cc1 ZINC001228698799 817978730 /nfs/dbraw/zinc/97/87/30/817978730.db2.gz SYFYGLVTJACYDM-LLVKDONJSA-N -1 3 296.330 3.015 20 0 CGADHM CC1(C)CC(=O)CC[C@H]1Oc1cc2c(cc1[O-])CCC2=O ZINC001228854853 818023099 /nfs/dbraw/zinc/02/30/99/818023099.db2.gz YFLCQQZNHBCPTK-MRXNPFEDSA-N -1 3 288.343 3.048 20 0 CGADHM C[C@H](Oc1cc2c(cc1[O-])CCC2=O)C1CCCC1 ZINC001228853682 818023427 /nfs/dbraw/zinc/02/34/27/818023427.db2.gz JNPDJEDSJDRIAA-JTQLQIEISA-N -1 3 260.333 3.479 20 0 CGADHM Cc1cccc2c1[C@H](Oc1cccc(-c3nnn[n-]3)c1)CC2 ZINC001231114802 818033450 /nfs/dbraw/zinc/03/34/50/818033450.db2.gz ALDGMBOFWTYEPF-OAHLLOKOSA-N -1 3 292.342 3.241 20 0 CGADHM Cc1cccc2c1[C@H](Oc1cccc(-c3nn[n-]n3)c1)CC2 ZINC001231114802 818033456 /nfs/dbraw/zinc/03/34/56/818033456.db2.gz ALDGMBOFWTYEPF-OAHLLOKOSA-N -1 3 292.342 3.241 20 0 CGADHM [O-]c1ccc(CN2CCC[C@H]3C[C@H]32)cc1C(F)(F)F ZINC001231525329 818120785 /nfs/dbraw/zinc/12/07/85/818120785.db2.gz BIRGBCSRTPXARU-CMPLNLGQSA-N -1 3 271.282 3.395 20 0 CGADHM CN(CCc1cccc(F)c1)Cc1ccc(F)c([O-])c1F ZINC001232938558 818477917 /nfs/dbraw/zinc/47/79/17/818477917.db2.gz BLNYHOGHUVILBC-UHFFFAOYSA-N -1 3 295.304 3.484 20 0 CGADHM C[C@@H]1[C@@H](C)CCCN1Cc1cc([O-])c(F)c(F)c1 ZINC001232971634 818487022 /nfs/dbraw/zinc/48/70/22/818487022.db2.gz OUTKIUKYIIWOLU-VHSXEESVSA-N -1 3 255.308 3.291 20 0 CGADHM [O-]c1cc(CN2CCC[C@@H]3CCC[C@@H]32)cc(F)c1F ZINC001232973264 818488543 /nfs/dbraw/zinc/48/85/43/818488543.db2.gz RBQHNHMYKONWHT-AAEUAGOBSA-N -1 3 267.319 3.435 20 0 CGADHM CC(C)C1CCN(Cc2cc(Cl)ncc2[O-])CC1 ZINC001233037466 818506779 /nfs/dbraw/zinc/50/67/79/818506779.db2.gz BCVLLKRLLHTQAU-UHFFFAOYSA-N -1 3 268.788 3.309 20 0 CGADHM C[C@H]1Cc2ccccc2CN1Cc1cccc([O-])c1F ZINC001233057709 818514932 /nfs/dbraw/zinc/51/49/32/818514932.db2.gz NFKZQMVHIVEACW-LBPRGKRZSA-N -1 3 271.335 3.478 20 0 CGADHM C[C@H]1CCCN(Cc2c(F)ccc([O-])c2F)[C@H]1C ZINC001233395580 818610287 /nfs/dbraw/zinc/61/02/87/818610287.db2.gz DHEVZYYXMYOROH-UWVGGRQHSA-N -1 3 255.308 3.291 20 0 CGADHM CCCC(=O)[C@H](CCC)Oc1ccc2occ([O-])c2c1 ZINC001233677122 818676816 /nfs/dbraw/zinc/67/68/16/818676816.db2.gz FXSPMZBHXMLSPP-INIZCTEOSA-N -1 3 276.332 3.178 20 0 CGADHM [O-]c1coc2ccc(O[C@@H]3CC4CCC3CC4)cc12 ZINC001233678689 818679151 /nfs/dbraw/zinc/67/91/51/818679151.db2.gz WQSZKSHSPPNHHQ-CLIRUNRCSA-N -1 3 258.317 3.219 20 0 CGADHM COC(=O)c1ccc([C@@H](C)Oc2cccc([O-])c2F)cc1 ZINC001233868621 818720336 /nfs/dbraw/zinc/72/03/36/818720336.db2.gz VCDFNGJJIHLPSK-SNVBAGLBSA-N -1 3 290.290 3.458 20 0 CGADHM Cc1cnc(F)c([C@H](C)Oc2nc3c(cccc3[O-])[nH]2)c1 ZINC001234452200 818858854 /nfs/dbraw/zinc/85/88/54/818858854.db2.gz LTHIDLOPXQXKAK-VIFPVBQESA-N -1 3 287.294 3.251 20 0 CGADHM CCC[C@@H](CC(=O)OC)Oc1c([O-])cc(Cl)cc1F ZINC001234448926 818859352 /nfs/dbraw/zinc/85/93/52/818859352.db2.gz YTUHFCCLBKHOJY-VIFPVBQESA-N -1 3 290.718 3.295 20 0 CGADHM COc1cc([O-])c(C)c(O[C@@H]2C[C@H]3CC[C@@H]2C3)c1C(C)=O ZINC001234791547 818923793 /nfs/dbraw/zinc/92/37/93/818923793.db2.gz OKAOUOCEWAHINY-OUCADQQQSA-N -1 3 290.359 3.479 20 0 CGADHM Cc1ccc(-c2ccc(N)c(Cl)c2)cc1-c1nnn[n-]1 ZINC001243376049 823378278 /nfs/dbraw/zinc/37/82/78/823378278.db2.gz LIVAWJYNYOYWKG-UHFFFAOYSA-N -1 3 285.738 3.078 20 0 CGADHM Cc1ccc(-c2ccc(N)c(Cl)c2)cc1-c1nn[n-]n1 ZINC001243376049 823378286 /nfs/dbraw/zinc/37/82/86/823378286.db2.gz LIVAWJYNYOYWKG-UHFFFAOYSA-N -1 3 285.738 3.078 20 0 CGADHM FC(F)(F)COc1cccc(-c2ccc(=S)[n-]n2)c1 ZINC001243393193 823387753 /nfs/dbraw/zinc/38/77/53/823387753.db2.gz VVDGLWLGUUBZAV-UHFFFAOYSA-N -1 3 286.278 3.373 20 0 CGADHM NC(=O)c1cc2ccccc2c(-c2cc([O-])cc(Cl)c2)n1 ZINC001235898681 819207868 /nfs/dbraw/zinc/20/78/68/819207868.db2.gz BHOCXGLADCYISL-UHFFFAOYSA-N -1 3 298.729 3.360 20 0 CGADHM CSc1ncc(F)c(-c2cc([O-])cc(Cl)c2)n1 ZINC001235899077 819208732 /nfs/dbraw/zinc/20/87/32/819208732.db2.gz CMSFDPSIOGVMEO-UHFFFAOYSA-N -1 3 270.716 3.364 20 0 CGADHM Cc1ccc2c(ncnc2-c2cc([O-])cc(Cl)c2)n1 ZINC001235899815 819209069 /nfs/dbraw/zinc/20/90/69/819209069.db2.gz UNSBFWSJXNEHRE-UHFFFAOYSA-N -1 3 271.707 3.359 20 0 CGADHM [O-]c1cc(Cl)cc(-c2cc(N3CCCC3)ncn2)c1 ZINC001235899793 819209784 /nfs/dbraw/zinc/20/97/84/819209784.db2.gz UGXVLBJRZFPWGK-UHFFFAOYSA-N -1 3 275.739 3.103 20 0 CGADHM CC(C)c1nc(-c2cc([O-])cc(Cl)c2)nc(N(C)C)n1 ZINC001235898837 819209855 /nfs/dbraw/zinc/20/98/55/819209855.db2.gz MUQZCJAUZLQQRD-UHFFFAOYSA-N -1 3 292.770 3.087 20 0 CGADHM Cc1ccc(-c2cccnc2OC(C)C)cc1-c1nnn[n-]1 ZINC001236108566 819324371 /nfs/dbraw/zinc/32/43/71/819324371.db2.gz HNBBVSYGTRDTGV-UHFFFAOYSA-N -1 3 295.346 3.024 20 0 CGADHM Cc1ccc(-c2cccnc2OC(C)C)cc1-c1nn[n-]n1 ZINC001236108566 819324377 /nfs/dbraw/zinc/32/43/77/819324377.db2.gz HNBBVSYGTRDTGV-UHFFFAOYSA-N -1 3 295.346 3.024 20 0 CGADHM COc1ccc(-c2c(F)ccc(C)c2[O-])c(F)n1 ZINC001236425172 819471288 /nfs/dbraw/zinc/47/12/88/819471288.db2.gz MPWGOHSDHYAINO-UHFFFAOYSA-N -1 3 251.232 3.049 20 0 CGADHM [O-]c1c(F)cc(CN2C[C@@H]3CCC[C@H]3C2)cc1Cl ZINC001237991378 819905150 /nfs/dbraw/zinc/90/51/50/819905150.db2.gz ZFTLUTRUQZEDOQ-QWRGUYRKSA-N -1 3 269.747 3.417 20 0 CGADHM CCOC(=O)Cc1ccc(-c2cccc([O-])c2F)cc1 ZINC001243545042 823437277 /nfs/dbraw/zinc/43/72/77/823437277.db2.gz OORKHCLHTGUWJI-UHFFFAOYSA-N -1 3 274.291 3.304 20 0 CGADHM CC(=O)O[C@@H]1Cc2ccc(-c3cccc([O-])c3F)cc2C1 ZINC001243544951 823437653 /nfs/dbraw/zinc/43/76/53/823437653.db2.gz LFKTUWJKPWYLOQ-CQSZACIVSA-N -1 3 286.302 3.229 20 0 CGADHM CC1(C)NC(=O)Cc2cc(-c3cccc([O-])c3F)ccc21 ZINC001243546238 823438931 /nfs/dbraw/zinc/43/89/31/823438931.db2.gz KPXLIKBPFJHXHW-UHFFFAOYSA-N -1 3 285.318 3.106 20 0 CGADHM COC(=O)c1nc2cc(-c3cccc([O-])c3F)ccc2o1 ZINC001243546694 823439108 /nfs/dbraw/zinc/43/91/08/823439108.db2.gz CVEXZOTWYMZJSP-UHFFFAOYSA-N -1 3 287.246 3.126 20 0 CGADHM CN(C)Cc1ccc(-c2ccc(Cl)c([O-])c2)nc1 ZINC001243578242 823452405 /nfs/dbraw/zinc/45/24/05/823452405.db2.gz FVHGBJLYFVLVJS-UHFFFAOYSA-N -1 3 262.740 3.169 20 0 CGADHM Fc1ccc(-c2cccc(Cl)c2F)cc1-c1nnn[n-]1 ZINC001238957839 820168031 /nfs/dbraw/zinc/16/80/31/820168031.db2.gz AOGNTVSCNNQCOM-UHFFFAOYSA-N -1 3 292.676 3.465 20 0 CGADHM Fc1ccc(-c2cccc(Cl)c2F)cc1-c1nn[n-]n1 ZINC001238957839 820168036 /nfs/dbraw/zinc/16/80/36/820168036.db2.gz AOGNTVSCNNQCOM-UHFFFAOYSA-N -1 3 292.676 3.465 20 0 CGADHM OCCc1cccc(-c2ccc3c(c2)[N-]C(=S)C3)c1 ZINC001239035908 820199864 /nfs/dbraw/zinc/19/98/64/820199864.db2.gz YUFXEDSMZGBNNN-UHFFFAOYSA-N -1 3 269.369 3.184 20 0 CGADHM CC(C)n1ccc(-c2cc(-c3nnn[n-]3)ccc2F)c1 ZINC001239071071 820215284 /nfs/dbraw/zinc/21/52/84/820215284.db2.gz ZGYNQZBVQWGEGP-UHFFFAOYSA-N -1 3 271.299 3.055 20 0 CGADHM CC(C)n1ccc(-c2cc(-c3nn[n-]n3)ccc2F)c1 ZINC001239071071 820215289 /nfs/dbraw/zinc/21/52/89/820215289.db2.gz ZGYNQZBVQWGEGP-UHFFFAOYSA-N -1 3 271.299 3.055 20 0 CGADHM NC(=O)c1cccc(-c2ccc(C(F)(F)F)cc2[O-])c1F ZINC001243609285 823466606 /nfs/dbraw/zinc/46/66/06/823466606.db2.gz PSOYFGYGJKCZKX-UHFFFAOYSA-N -1 3 299.223 3.316 20 0 CGADHM Cc1cc(C)cc(-c2cccc(-c3nnn[n-]3)c2)c1 ZINC001239525854 820374896 /nfs/dbraw/zinc/37/48/96/820374896.db2.gz JPXIDSBLBKLVJV-UHFFFAOYSA-N -1 3 250.305 3.151 20 0 CGADHM Cc1cc(C)cc(-c2cccc(-c3nn[n-]n3)c2)c1 ZINC001239525854 820374905 /nfs/dbraw/zinc/37/49/05/820374905.db2.gz JPXIDSBLBKLVJV-UHFFFAOYSA-N -1 3 250.305 3.151 20 0 CGADHM CCOc1ccc(-c2ccc(-c3nnn[n-]3)c(F)c2)cc1 ZINC001239565872 820417920 /nfs/dbraw/zinc/41/79/20/820417920.db2.gz MTWSXFKYUIZWRQ-UHFFFAOYSA-N -1 3 284.294 3.072 20 0 CGADHM CCOc1ccc(-c2ccc(-c3nn[n-]n3)c(F)c2)cc1 ZINC001239565872 820417921 /nfs/dbraw/zinc/41/79/21/820417921.db2.gz MTWSXFKYUIZWRQ-UHFFFAOYSA-N -1 3 284.294 3.072 20 0 CGADHM Cc1cc(-c2nnn[n-]2)ccc1-c1cccnc1C1CC1 ZINC001243692306 823487632 /nfs/dbraw/zinc/48/76/32/823487632.db2.gz KSDANCQSNVRSFP-UHFFFAOYSA-N -1 3 277.331 3.115 20 0 CGADHM Cc1cc(-c2nn[n-]n2)ccc1-c1cccnc1C1CC1 ZINC001243692306 823487637 /nfs/dbraw/zinc/48/76/37/823487637.db2.gz KSDANCQSNVRSFP-UHFFFAOYSA-N -1 3 277.331 3.115 20 0 CGADHM c1ccc(-c2cccc3cnccc32)c(-c2nnn[n-]2)c1 ZINC001240008940 820776000 /nfs/dbraw/zinc/77/60/00/820776000.db2.gz IGKHFCMLKDXOSG-UHFFFAOYSA-N -1 3 273.299 3.082 20 0 CGADHM c1ccc(-c2cccc3cnccc32)c(-c2nn[n-]n2)c1 ZINC001240008940 820776004 /nfs/dbraw/zinc/77/60/04/820776004.db2.gz IGKHFCMLKDXOSG-UHFFFAOYSA-N -1 3 273.299 3.082 20 0 CGADHM Cn1ccc2ccc(-c3cccc(-c4nnn[n-]4)c3)cc21 ZINC001240575125 821161481 /nfs/dbraw/zinc/16/14/81/821161481.db2.gz USIYFCZVBFNFFZ-UHFFFAOYSA-N -1 3 275.315 3.025 20 0 CGADHM Cn1ccc2ccc(-c3cccc(-c4nn[n-]n4)c3)cc21 ZINC001240575125 821161485 /nfs/dbraw/zinc/16/14/85/821161485.db2.gz USIYFCZVBFNFFZ-UHFFFAOYSA-N -1 3 275.315 3.025 20 0 CGADHM Cc1ccc(-c2ccc(C)c(-c3nnn[n-]3)c2)cc1C ZINC001240703186 821259214 /nfs/dbraw/zinc/25/92/14/821259214.db2.gz ZODZQQSJMFZHDW-UHFFFAOYSA-N -1 3 264.332 3.459 20 0 CGADHM Cc1ccc(-c2ccc(C)c(-c3nn[n-]n3)c2)cc1C ZINC001240703186 821259220 /nfs/dbraw/zinc/25/92/20/821259220.db2.gz ZODZQQSJMFZHDW-UHFFFAOYSA-N -1 3 264.332 3.459 20 0 CGADHM O=C1CCCN1c1ccc(-c2ccc([O-])c(F)c2)cc1 ZINC001240785670 821324825 /nfs/dbraw/zinc/32/48/25/821324825.db2.gz LUAABZIPKPEDTH-UHFFFAOYSA-N -1 3 271.291 3.325 20 0 CGADHM COC(=O)C1(c2ccc(-c3ccc([O-])c(F)c3)cc2)CC1 ZINC001240786789 821326882 /nfs/dbraw/zinc/32/68/82/821326882.db2.gz VMOOPQLGEYLJEC-UHFFFAOYSA-N -1 3 286.302 3.403 20 0 CGADHM COC(=O)c1cccc(-c2ccc([O-])c(F)c2)c1F ZINC001240787001 821326971 /nfs/dbraw/zinc/32/69/71/821326971.db2.gz GBYYIAYFXURMKC-UHFFFAOYSA-N -1 3 264.227 3.124 20 0 CGADHM [O-]c1ccc(-c2cccc(CN3CCOCC3)c2)cc1F ZINC001240786707 821328091 /nfs/dbraw/zinc/32/80/91/821328091.db2.gz QMFQMVBGWXJBJK-UHFFFAOYSA-N -1 3 287.334 3.031 20 0 CGADHM Oc1cccc(-c2cc(C(F)(F)F)[n-]c(=S)n2)c1 ZINC001240922006 821417372 /nfs/dbraw/zinc/41/73/72/821417372.db2.gz ANAHZEJVJDKEOG-UHFFFAOYSA-N -1 3 272.251 3.157 20 0 CGADHM Cc1ccc(-c2ccc(F)c(F)c2F)cc1-c1nnn[n-]1 ZINC001240993162 821474476 /nfs/dbraw/zinc/47/44/76/821474476.db2.gz DAQWERXBPRXNMA-UHFFFAOYSA-N -1 3 290.248 3.259 20 0 CGADHM Cc1ccc(-c2ccc(F)c(F)c2F)cc1-c1nn[n-]n1 ZINC001240993162 821474479 /nfs/dbraw/zinc/47/44/79/821474479.db2.gz DAQWERXBPRXNMA-UHFFFAOYSA-N -1 3 290.248 3.259 20 0 CGADHM CSc1nc2[nH]ccc2c(-c2ccccc2[O-])n1 ZINC001241001821 821480606 /nfs/dbraw/zinc/48/06/06/821480606.db2.gz ITYIWQGUEROBBB-UHFFFAOYSA-N -1 3 257.318 3.004 20 0 CGADHM Cc1ccc(C(=O)[O-])cc1-c1cncc2cc[nH]c21 ZINC001241002345 821480918 /nfs/dbraw/zinc/48/09/18/821480918.db2.gz XOENDPWJBLJMSH-UHFFFAOYSA-N -1 3 252.273 3.237 20 0 CGADHM COc1ccc2nc(-c3ccccc3[O-])cnc2c1 ZINC001241002832 821482428 /nfs/dbraw/zinc/48/24/28/821482428.db2.gz ALZPJZIKILZOHI-UHFFFAOYSA-N -1 3 252.273 3.011 20 0 CGADHM CC1CCN(c2cncc(-c3ccccc3[O-])n2)CC1 ZINC001241007877 821484230 /nfs/dbraw/zinc/48/42/30/821484230.db2.gz BHLPOAGBBZRLHT-UHFFFAOYSA-N -1 3 269.348 3.086 20 0 CGADHM CC(C)OC(=O)c1cccnc1-c1ccccc1[O-] ZINC001241007907 821484372 /nfs/dbraw/zinc/48/43/72/821484372.db2.gz BXXHWCNXYRTCOQ-UHFFFAOYSA-N -1 3 257.289 3.019 20 0 CGADHM O=C(c1ccnc(-c2ccccc2[O-])c1)N1CCCCC1 ZINC001241009851 821486667 /nfs/dbraw/zinc/48/66/67/821486667.db2.gz ZVIQAMNNWXDWKS-UHFFFAOYSA-N -1 3 282.343 3.080 20 0 CGADHM Cc1ccc(-c2nncc3cc(F)ccc32)c([O-])c1 ZINC001241031071 821506642 /nfs/dbraw/zinc/50/66/42/821506642.db2.gz XEKBUARRNXHATH-UHFFFAOYSA-N -1 3 254.264 3.450 20 0 CGADHM CCOc1ccc(F)cc1-c1ccc(C)c(-c2nnn[n-]2)c1 ZINC001241105184 821561282 /nfs/dbraw/zinc/56/12/82/821561282.db2.gz KMBNOUZUFIJIGZ-UHFFFAOYSA-N -1 3 298.321 3.380 20 0 CGADHM CCOc1ccc(F)cc1-c1ccc(C)c(-c2nn[n-]n2)c1 ZINC001241105184 821561285 /nfs/dbraw/zinc/56/12/85/821561285.db2.gz KMBNOUZUFIJIGZ-UHFFFAOYSA-N -1 3 298.321 3.380 20 0 CGADHM CCOc1cccc(-c2ccc(-c3nnn[n-]3)cc2C)c1 ZINC001241117502 821571629 /nfs/dbraw/zinc/57/16/29/821571629.db2.gz KXGDCGSGDXPITI-UHFFFAOYSA-N -1 3 280.331 3.241 20 0 CGADHM CCOc1cccc(-c2ccc(-c3nn[n-]n3)cc2C)c1 ZINC001241117502 821571633 /nfs/dbraw/zinc/57/16/33/821571633.db2.gz KXGDCGSGDXPITI-UHFFFAOYSA-N -1 3 280.331 3.241 20 0 CGADHM S=c1ccc(-c2cccc(O[C@H]3CCCCO3)c2)n[n-]1 ZINC001241213803 821644197 /nfs/dbraw/zinc/64/41/97/821644197.db2.gz LZBZSVBAWYITPL-HNNXBMFYSA-N -1 3 288.372 3.338 20 0 CGADHM CSc1nc(C)cc(-c2cc([O-])cc(F)c2)n1 ZINC001241257158 821676845 /nfs/dbraw/zinc/67/68/45/821676845.db2.gz GMRDZSLZVLZVAL-UHFFFAOYSA-N -1 3 250.298 3.019 20 0 CGADHM CC(C)(C)Oc1ccc(-c2cc([O-])cc(F)c2)nn1 ZINC001241256759 821677226 /nfs/dbraw/zinc/67/72/26/821677226.db2.gz AGNWEOOFISFTGO-UHFFFAOYSA-N -1 3 262.284 3.166 20 0 CGADHM [O-]c1cc(F)cc(-c2cccc(OC(F)(F)F)n2)c1 ZINC001241258254 821678362 /nfs/dbraw/zinc/67/83/62/821678362.db2.gz XBRPWRNFOYNQHC-UHFFFAOYSA-N -1 3 273.185 3.492 20 0 CGADHM COc1ccc2nc(-c3cc([O-])cc(F)c3)c(C)nc2c1 ZINC001241261391 821681208 /nfs/dbraw/zinc/68/12/08/821681208.db2.gz MSLXVLKESKPWGL-UHFFFAOYSA-N -1 3 284.290 3.459 20 0 CGADHM COC(=O)c1cc(-c2cc([O-])cc(F)c2)c(OC)cc1F ZINC001241266064 821685814 /nfs/dbraw/zinc/68/58/14/821685814.db2.gz CFWXDGCFICXHOB-UHFFFAOYSA-N -1 3 294.253 3.133 20 0 CGADHM CN(C)C(=O)Sc1ccc(-c2cc([O-])cc(F)c2)nc1 ZINC001241265990 821685886 /nfs/dbraw/zinc/68/58/86/821685886.db2.gz AROWFPSPQCSKAT-UHFFFAOYSA-N -1 3 292.335 3.367 20 0 CGADHM Cc1cc(-c2cc([O-])cc(F)c2)ccc1N1CCOCC1 ZINC001241270799 821688943 /nfs/dbraw/zinc/68/89/43/821688943.db2.gz AHSRTPDBRXEXPE-UHFFFAOYSA-N -1 3 287.334 3.343 20 0 CGADHM Cn1c(=O)ccc2cc(-c3cc([O-])cc(F)c3)ccc21 ZINC001241271715 821689931 /nfs/dbraw/zinc/68/99/31/821689931.db2.gz JQAQWONKYLQIQC-UHFFFAOYSA-N -1 3 269.275 3.050 20 0 CGADHM CC(C)S(=O)(=O)c1ccc(-c2cc([O-])cc(F)c2)cc1 ZINC001241280280 821698352 /nfs/dbraw/zinc/69/83/52/821698352.db2.gz ICMNHJMYTZTGTC-UHFFFAOYSA-N -1 3 294.347 3.380 20 0 CGADHM CC(C)COc1cnc(-c2cc([O-])cc(F)c2)cn1 ZINC001241280669 821699522 /nfs/dbraw/zinc/69/95/22/821699522.db2.gz QYKJTOLNENECOV-UHFFFAOYSA-N -1 3 262.284 3.023 20 0 CGADHM [O-]c1cc(F)cc(-c2cncc(-c3ncco3)c2)c1 ZINC001241281986 821700623 /nfs/dbraw/zinc/70/06/23/821700623.db2.gz GDYIGRMYTOIONW-UHFFFAOYSA-N -1 3 256.236 3.248 20 0 CGADHM Cn1c(=O)ccc2ccc(-c3cc([O-])cc(F)c3)cc21 ZINC001241282632 821701835 /nfs/dbraw/zinc/70/18/35/821701835.db2.gz MTMCJTPDMLGYOK-UHFFFAOYSA-N -1 3 269.275 3.050 20 0 CGADHM COC(=O)c1ccc(F)c(-c2c(F)ccc([O-])c2F)c1 ZINC001241291102 821707774 /nfs/dbraw/zinc/70/77/74/821707774.db2.gz JJBULHUWMCABMH-UHFFFAOYSA-N -1 3 282.217 3.263 20 0 CGADHM CSc1ncc(-c2c(F)ccc([O-])c2F)c(C)n1 ZINC001241295550 821713828 /nfs/dbraw/zinc/71/38/28/821713828.db2.gz UMHICIQDBIQPLK-UHFFFAOYSA-N -1 3 268.288 3.158 20 0 CGADHM CN(C)C(=O)c1ccc(F)c(-c2c(F)ccc([O-])c2F)c1 ZINC001241295753 821714247 /nfs/dbraw/zinc/71/42/47/821714247.db2.gz ZXZBDYXAKLQNFY-UHFFFAOYSA-N -1 3 295.260 3.178 20 0 CGADHM CSc1cccc(-c2ccc(-c3nnn[n-]3)cc2)c1 ZINC001241315923 821726085 /nfs/dbraw/zinc/72/60/85/821726085.db2.gz PCAKGXCWUVHZOJ-UHFFFAOYSA-N -1 3 268.345 3.256 20 0 CGADHM CSc1cccc(-c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001241315923 821726088 /nfs/dbraw/zinc/72/60/88/821726088.db2.gz PCAKGXCWUVHZOJ-UHFFFAOYSA-N -1 3 268.345 3.256 20 0 CGADHM S=c1ccc(C2=CCN(c3ccccc3)CC2)n[n-]1 ZINC001241346431 821751096 /nfs/dbraw/zinc/75/10/96/821751096.db2.gz UQHHTEIEOVSFKC-UHFFFAOYSA-N -1 3 269.373 3.059 20 0 CGADHM c1cc(-c2ccc(C3CC3)cc2)ccc1-c1nnn[n-]1 ZINC001241444016 821838361 /nfs/dbraw/zinc/83/83/61/821838361.db2.gz MRVVSOLECFZEMK-UHFFFAOYSA-N -1 3 262.316 3.411 20 0 CGADHM c1cc(-c2ccc(C3CC3)cc2)ccc1-c1nn[n-]n1 ZINC001241444016 821838369 /nfs/dbraw/zinc/83/83/69/821838369.db2.gz MRVVSOLECFZEMK-UHFFFAOYSA-N -1 3 262.316 3.411 20 0 CGADHM Cc1ccc2c(cccc2-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC001241444979 821840475 /nfs/dbraw/zinc/84/04/75/821840475.db2.gz GTYMDKMVEHRFBP-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM Cc1ccc2c(cccc2-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC001241444979 821840483 /nfs/dbraw/zinc/84/04/83/821840483.db2.gz GTYMDKMVEHRFBP-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM COc1cc(C)c(C)cc1-c1ccc(-c2nnn[n-]2)cc1 ZINC001241446928 821842761 /nfs/dbraw/zinc/84/27/61/821842761.db2.gz ZAKMVIONTMERDE-UHFFFAOYSA-N -1 3 280.331 3.159 20 0 CGADHM COc1cc(C)c(C)cc1-c1ccc(-c2nn[n-]n2)cc1 ZINC001241446928 821842769 /nfs/dbraw/zinc/84/27/69/821842769.db2.gz ZAKMVIONTMERDE-UHFFFAOYSA-N -1 3 280.331 3.159 20 0 CGADHM CC(C)Oc1ccc(-c2ccccc2-c2nnn[n-]2)c(F)c1 ZINC001241649025 822030711 /nfs/dbraw/zinc/03/07/11/822030711.db2.gz BGLMRQDPVKJOIG-UHFFFAOYSA-N -1 3 298.321 3.460 20 0 CGADHM CC(C)Oc1ccc(-c2ccccc2-c2nn[n-]n2)c(F)c1 ZINC001241649025 822030718 /nfs/dbraw/zinc/03/07/18/822030718.db2.gz BGLMRQDPVKJOIG-UHFFFAOYSA-N -1 3 298.321 3.460 20 0 CGADHM COc1cc(C)c(-c2ccc3c(c2)[N-]C(=S)C3)cn1 ZINC001241776169 822139945 /nfs/dbraw/zinc/13/99/45/822139945.db2.gz MUKHRSAFTWKUJO-UHFFFAOYSA-N -1 3 270.357 3.361 20 0 CGADHM CCOc1cc(-c2ccc(F)cc2[O-])cnc1F ZINC001242219525 822915391 /nfs/dbraw/zinc/91/53/91/822915391.db2.gz JOROWKMMOHDWAX-UHFFFAOYSA-N -1 3 251.232 3.131 20 0 CGADHM Clc1cccc(-c2ccc(-c3nnn[n-]3)cc2)c1 ZINC001242146463 822893610 /nfs/dbraw/zinc/89/36/10/822893610.db2.gz BKJKOVCOLOYPKY-UHFFFAOYSA-N -1 3 256.696 3.187 20 0 CGADHM Clc1cccc(-c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001242146463 822893613 /nfs/dbraw/zinc/89/36/13/822893613.db2.gz BKJKOVCOLOYPKY-UHFFFAOYSA-N -1 3 256.696 3.187 20 0 CGADHM [O-]c1ccc(-c2ccnc3[nH]cnc32)cc1C(F)(F)F ZINC001242161740 822900440 /nfs/dbraw/zinc/90/04/40/822900440.db2.gz APHRZAHYXBUUSF-UHFFFAOYSA-N -1 3 279.221 3.349 20 0 CGADHM CC(=O)O[C@H]1Cc2ccc(-c3ccc(F)cc3[O-])cc2C1 ZINC001242217360 822914377 /nfs/dbraw/zinc/91/43/77/822914377.db2.gz ATRXITAKAIDAHV-HNNXBMFYSA-N -1 3 286.302 3.229 20 0 CGADHM COC(=O)c1cc(-c2ccc(F)cc2[O-])c(C)cc1F ZINC001242217708 822914726 /nfs/dbraw/zinc/91/47/26/822914726.db2.gz JVURMBHKZAQDMS-UHFFFAOYSA-N -1 3 278.254 3.432 20 0 CGADHM O=C1c2c(cccc2-c2ccc(F)cc2[O-])CN1C1CC1 ZINC001242219917 822916315 /nfs/dbraw/zinc/91/63/15/822916315.db2.gz WXLANHWTQYZHGD-UHFFFAOYSA-N -1 3 283.302 3.317 20 0 CGADHM Fc1ccc(-c2nnn[n-]2)cc1C1=CCC(F)(F)CC1 ZINC001242234864 822920579 /nfs/dbraw/zinc/92/05/79/822920579.db2.gz CMXOPHDGGRQVDX-UHFFFAOYSA-N -1 3 280.253 3.208 20 0 CGADHM Fc1ccc(-c2nn[n-]n2)cc1C1=CCC(F)(F)CC1 ZINC001242234864 822920580 /nfs/dbraw/zinc/92/05/80/822920580.db2.gz CMXOPHDGGRQVDX-UHFFFAOYSA-N -1 3 280.253 3.208 20 0 CGADHM O=C1c2ccc(-c3cccc(F)c3[O-])cc2CN1C1CC1 ZINC001242350774 822960945 /nfs/dbraw/zinc/96/09/45/822960945.db2.gz KPFBEIBCKUGZCS-UHFFFAOYSA-N -1 3 283.302 3.317 20 0 CGADHM O=c1cc(-c2cccc(F)c2[O-])ccn1-c1ccccc1F ZINC001242352204 822961893 /nfs/dbraw/zinc/96/18/93/822961893.db2.gz APAPMJRNXQXHFC-UHFFFAOYSA-N -1 3 299.276 3.488 20 0 CGADHM [O-]c1c(F)cccc1-c1ccc(-n2ccnc2)cc1 ZINC001242351811 822961920 /nfs/dbraw/zinc/96/19/20/822961920.db2.gz UYVGXHREPCIOBI-UHFFFAOYSA-N -1 3 254.264 3.384 20 0 CGADHM Nc1ccnc2cc(-c3cccc(C(=O)[O-])c3F)ccc12 ZINC001242379777 822974459 /nfs/dbraw/zinc/97/44/59/822974459.db2.gz LYYYSEABBVNLLT-UHFFFAOYSA-N -1 3 282.274 3.321 20 0 CGADHM Cc1cc(Cl)cc(-c2ccc(Cc3nnn[n-]3)cc2)c1 ZINC001242517950 823016815 /nfs/dbraw/zinc/01/68/15/823016815.db2.gz HQBQVFCLPADKOO-UHFFFAOYSA-N -1 3 284.750 3.419 20 0 CGADHM Cc1cc(Cl)cc(-c2ccc(Cc3nn[n-]n3)cc2)c1 ZINC001242517950 823016819 /nfs/dbraw/zinc/01/68/19/823016819.db2.gz HQBQVFCLPADKOO-UHFFFAOYSA-N -1 3 284.750 3.419 20 0 CGADHM CCCC[C@H](CC)C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC001338258876 936314281 /nfs/dbraw/zinc/31/42/81/936314281.db2.gz WWZQTBHOQCGYPA-JTQLQIEISA-N -1 3 276.340 3.220 20 0 CGADHM CCCN1CCCC[C@H]1C(=O)Nc1ccc(Cl)cc1[O-] ZINC001341214604 936430872 /nfs/dbraw/zinc/43/08/72/936430872.db2.gz KRXMVSQKPRENJD-ZDUSSCGKSA-N -1 3 296.798 3.249 20 0 CGADHM Cc1cc(CO[N-]C(=O)CCOc2ccccc2)cs1 ZINC001353025081 937055670 /nfs/dbraw/zinc/05/56/70/937055670.db2.gz ZUGDPYYNAKBFJB-UHFFFAOYSA-N -1 3 291.372 3.073 20 0 CGADHM Cc1ccc(CN(CCC(=O)[O-])Cc2ccccc2)o1 ZINC000692436295 926818994 /nfs/dbraw/zinc/81/89/94/926818994.db2.gz JJPIBIUFQIWWRQ-UHFFFAOYSA-N -1 3 273.332 3.065 20 0 CGADHM [O-]c1cccc(OC[C@@H]2CCCCO2)c1Br ZINC001229144049 927323509 /nfs/dbraw/zinc/32/35/09/927323509.db2.gz ZWVHZGWINUUSAO-VIFPVBQESA-N -1 3 287.153 3.103 20 0 CGADHM S=c1nc(O[C@H]2C=CCC2)c2ccsc2[n-]1 ZINC001229563433 927352311 /nfs/dbraw/zinc/35/23/11/927352311.db2.gz ACELSFTYFHKXOZ-ZETCQYMHSA-N -1 3 250.348 3.077 20 0 CGADHM COc1cccc(OC)c1Sc1cc(Cl)nc(=O)[n-]1 ZINC001364167878 937232860 /nfs/dbraw/zinc/23/28/60/937232860.db2.gz HJLIYYYNEIRGNA-UHFFFAOYSA-N -1 3 298.751 3.004 20 0 CGADHM [O-]c1cccc(CN2CCO[C@@H](C3CC3)CC2)c1Cl ZINC001551245433 928832893 /nfs/dbraw/zinc/83/28/93/928832893.db2.gz ZTLOAQITNDVYNB-CQSZACIVSA-N -1 3 281.783 3.047 20 0 CGADHM Cc1nocc1[N-]C(=O)c1cc2cccc(F)c2o1 ZINC001437254566 937292778 /nfs/dbraw/zinc/29/27/78/937292778.db2.gz UHRXMHIWGZMNBR-UHFFFAOYSA-N -1 3 260.224 3.121 20 0 CGADHM CCOc1ccccc1NC(=O)Cc1ccc([O-])c(F)c1 ZINC001440826698 937333477 /nfs/dbraw/zinc/33/34/77/937333477.db2.gz JRCOGVOQWHNEQS-UHFFFAOYSA-N -1 3 289.306 3.111 20 0 CGADHM C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)Nc1cc(Cl)ccc1[O-] ZINC001446530290 937363745 /nfs/dbraw/zinc/36/37/45/937363745.db2.gz WVIHKJRVUVETFI-APHKKCJPSA-N -1 3 265.740 3.276 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])C1(Oc2ccccc2)CC1 ZINC001447288896 937367930 /nfs/dbraw/zinc/36/79/30/937367930.db2.gz PSJGOCCDKONEBQ-UHFFFAOYSA-N -1 3 287.290 3.081 20 0 CGADHM O=C(Nc1ncccc1[O-])c1cc2ccccc2cc1F ZINC001447608583 937369981 /nfs/dbraw/zinc/36/99/81/937369981.db2.gz WPXZEAFJTYOQCQ-UHFFFAOYSA-N -1 3 282.274 3.332 20 0 CGADHM C[C@H](NC(=O)c1ccccc1[O-])[C@H]1CCC[C@@H](C)C1 ZINC001451545034 937391165 /nfs/dbraw/zinc/39/11/65/937391165.db2.gz XNSKNWDACGRYDP-AGIUHOORSA-N -1 3 261.365 3.337 20 0 CGADHM Cc1ccc(CNC(=O)c2cc3sccc3c([O-])c2)nc1 ZINC001452231404 937394349 /nfs/dbraw/zinc/39/43/49/937394349.db2.gz IEBNIIOWFBXCOP-UHFFFAOYSA-N -1 3 298.367 3.240 20 0 CGADHM Cc1nc(NC(=O)c2cc3sccc3c([O-])c2)oc1C ZINC001453659254 937403807 /nfs/dbraw/zinc/40/38/07/937403807.db2.gz FXKZZVQDSWJYFF-UHFFFAOYSA-N -1 3 288.328 3.464 20 0 CGADHM CSc1ccc([O-])c(C(=O)N[C@H]2CCCC23CC3)c1 ZINC001454566518 937409565 /nfs/dbraw/zinc/40/95/65/937409565.db2.gz XQVCXYBOEGYEFC-ZDUSSCGKSA-N -1 3 277.389 3.177 20 0 CGADHM O=C(c1cc([O-])ccc1Cl)N1CC(c2ccccc2)C1 ZINC001454665560 937410969 /nfs/dbraw/zinc/41/09/69/937410969.db2.gz DONMAAXKOLKFGP-UHFFFAOYSA-N -1 3 287.746 3.285 20 0 CGADHM Cc1ccc2oc([N-]c3cnn(CCF)c3)nc2c1 ZINC001458486425 937464988 /nfs/dbraw/zinc/46/49/88/937464988.db2.gz FWLQOOBDVWQWKQ-UHFFFAOYSA-N -1 3 260.272 3.046 20 0 CGADHM C[C@H](CCc1ccccc1)Oc1ccccc1-c1nnn[n-]1 ZINC001229952330 932507621 /nfs/dbraw/zinc/50/76/21/932507621.db2.gz AWEQGVDXXHWBIS-CYBMUJFWSA-N -1 3 294.358 3.267 20 0 CGADHM C[C@H](CCc1ccccc1)Oc1ccccc1-c1nn[n-]n1 ZINC001229952330 932507625 /nfs/dbraw/zinc/50/76/25/932507625.db2.gz AWEQGVDXXHWBIS-CYBMUJFWSA-N -1 3 294.358 3.267 20 0 CGADHM CC[C@@H](C)C[C@H](CC)Oc1ccccc1-c1nnn[n-]1 ZINC001229954746 932510623 /nfs/dbraw/zinc/51/06/23/932510623.db2.gz OMPXOGZRHQJLTB-NEPJUHHUSA-N -1 3 274.368 3.460 20 0 CGADHM CC[C@@H](C)C[C@H](CC)Oc1ccccc1-c1nn[n-]n1 ZINC001229954746 932510625 /nfs/dbraw/zinc/51/06/25/932510625.db2.gz OMPXOGZRHQJLTB-NEPJUHHUSA-N -1 3 274.368 3.460 20 0 CGADHM C[C@H](CCc1ccccc1)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001231072348 932671332 /nfs/dbraw/zinc/67/13/32/932671332.db2.gz BWSUIHKKUAGZHZ-CYBMUJFWSA-N -1 3 294.358 3.267 20 0 CGADHM C[C@@H]1CC[C@@H](Oc2ccc(-c3nn[n-]n3)cc2)C[C@@H]1C ZINC001231073562 932672702 /nfs/dbraw/zinc/67/27/02/932672702.db2.gz LPBPMCVMWPQHOX-UHIISALHSA-N -1 3 272.352 3.070 20 0 CGADHM O=c1nc2cccc(F)c2c(O[C@@H]2CCCC[C@H]2F)[n-]1 ZINC001231075289 932672839 /nfs/dbraw/zinc/67/28/39/932672839.db2.gz ZOQSKHRRNKJRAS-LDYMZIIASA-N -1 3 280.274 3.134 20 0 CGADHM Cc1cc(=O)[n-]c(CN[C@H](C)c2ccc(Cl)c(F)c2)n1 ZINC001307636063 932979359 /nfs/dbraw/zinc/97/93/59/932979359.db2.gz BKLHWOORESMWHJ-SECBINFHSA-N -1 3 295.745 3.134 20 0 CGADHM CC(=O)c1ccc(C(=O)N2CCc3ccc(C)cc32)cc1[O-] ZINC001464512806 937691835 /nfs/dbraw/zinc/69/18/35/937691835.db2.gz PKFGOACKZFBQGG-UHFFFAOYSA-N -1 3 295.338 3.106 20 0 CGADHM CC1(C)C[C@H]1CNC(=O)c1cc2sccc2c([O-])c1 ZINC001465018345 937697194 /nfs/dbraw/zinc/69/71/94/937697194.db2.gz AVAJPWGAKJRGKL-JTQLQIEISA-N -1 3 275.373 3.383 20 0 CGADHM CCS[C@@H]1CCC[C@@H]1NC(=O)c1ccc(CC)cc1[O-] ZINC001465732272 937703455 /nfs/dbraw/zinc/70/34/55/937703455.db2.gz IFNSOYOYVVTWDO-DZGCQCFKSA-N -1 3 293.432 3.359 20 0 CGADHM CC[C@@H]1CCC[C@@]1(C)C(=O)[N-]OCc1ccccc1OC ZINC001467568791 937719352 /nfs/dbraw/zinc/71/93/52/937719352.db2.gz GBEZWZXOBRSQON-RHSMWYFYSA-N -1 3 291.391 3.459 20 0 CGADHM CC(C)(O)CO[N-]C(=O)C1(C2CCCCC2)CCCCC1 ZINC001467738416 937721953 /nfs/dbraw/zinc/72/19/53/937721953.db2.gz KFLLHGAAPSJMID-UHFFFAOYSA-N -1 3 297.439 3.336 20 0 CGADHM O=C(Nc1c([O-])cccc1Cl)[C@@H]1Cc2ccc(F)cc21 ZINC001468455068 937728380 /nfs/dbraw/zinc/72/83/80/937728380.db2.gz IJKQJCLSOXGKII-LLVKDONJSA-N -1 3 291.709 3.463 20 0 CGADHM O=C(NCc1ccc2occc2c1)c1ccccc1[O-] ZINC001469930566 937745962 /nfs/dbraw/zinc/74/59/62/937745962.db2.gz YSAJPIBZBWZWJJ-UHFFFAOYSA-N -1 3 267.284 3.068 20 0 CGADHM O=C(CCc1cccc(F)c1F)[N-]Oc1ccc(F)cc1 ZINC001469937825 937746045 /nfs/dbraw/zinc/74/60/45/937746045.db2.gz PXUJFJUPXXHPAJ-UHFFFAOYSA-N -1 3 295.260 3.147 20 0 CGADHM CCOc1cccc(NC(=O)c2cc(CC)ccc2[O-])n1 ZINC001470133035 937748432 /nfs/dbraw/zinc/74/84/32/937748432.db2.gz SZVVAZHVXNIHAI-UHFFFAOYSA-N -1 3 286.331 3.001 20 0 CGADHM CCOc1ccc(NC(=O)c2cc(C)ccc2[O-])nc1C ZINC001470448625 937753215 /nfs/dbraw/zinc/75/32/15/937753215.db2.gz QBROTEBIYABPKW-UHFFFAOYSA-N -1 3 286.331 3.055 20 0 CGADHM CCC[C@@H](CNC(=O)c1ccc(C(C)C)cc1[O-])OCC ZINC001470486692 937753772 /nfs/dbraw/zinc/75/37/72/937753772.db2.gz MBGKWBBWHMTUAC-AWEZNQCLSA-N -1 3 293.407 3.451 20 0 CGADHM CCc1cccc(C(=O)NC(C)(C)C(O)(CC)CC)c1[O-] ZINC001471324508 937764151 /nfs/dbraw/zinc/76/41/51/937764151.db2.gz GHAYNOUIVORMPB-UHFFFAOYSA-N -1 3 293.407 3.014 20 0 CGADHM Cc1cccc(CCC(=O)[N-]OCCOc2ccccc2)c1 ZINC001472341702 937775787 /nfs/dbraw/zinc/77/57/87/937775787.db2.gz VUMCCXVZJKRZRW-UHFFFAOYSA-N -1 3 299.370 3.054 20 0 CGADHM CC1(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1 ZINC001324763691 934564327 /nfs/dbraw/zinc/56/43/27/934564327.db2.gz LMNHSPHUZTYBAM-UHFFFAOYSA-N -1 3 281.355 3.265 20 0 CGADHM CS[C@@H]1CC[C@H](N(C)Cc2c(F)ccc([O-])c2F)C1 ZINC001325010094 934881627 /nfs/dbraw/zinc/88/16/27/934881627.db2.gz FXQBNBSQAZXNEO-VHSXEESVSA-N -1 3 287.375 3.386 20 0 CGADHM COc1cc(F)cc(NCc2c(F)ccc([O-])c2F)c1 ZINC001325010619 934882223 /nfs/dbraw/zinc/88/22/23/934882223.db2.gz LQIFHRCEKLRZBE-UHFFFAOYSA-N -1 3 283.249 3.430 20 0 CGADHM CCCCc1ccc(C(=O)CCC(=O)[N-]OC(C)C)cc1 ZINC001325260964 934899897 /nfs/dbraw/zinc/89/98/97/934899897.db2.gz JPDLXGPOGLBXBB-UHFFFAOYSA-N -1 3 291.391 3.448 20 0 CGADHM C/C=C\COc1cccc(CC(=O)[N-]OC(C)(C)C)c1 ZINC001330591722 935301039 /nfs/dbraw/zinc/30/10/39/935301039.db2.gz WDIYRKJXWZZWDQ-WAYWQWQTSA-N -1 3 277.364 3.030 20 0 CGADHM CSc1ccc([O-])c(C(=O)N(C)CCC(F)(F)F)c1 ZINC001330790890 935323278 /nfs/dbraw/zinc/32/32/78/935323278.db2.gz CSALHAWKMHHAIL-UHFFFAOYSA-N -1 3 293.310 3.139 20 0 CGADHM O=C(CCCc1ccc([O-])c(F)c1)NCCCC(F)F ZINC001332450588 935471197 /nfs/dbraw/zinc/47/11/97/935471197.db2.gz YDAJDPWROQJFRS-UHFFFAOYSA-N -1 3 289.297 3.016 20 0 CGADHM CC1(C)C[C@@H](C(=O)Nc2ccc(Cl)cc2[O-])CCO1 ZINC001335839581 936163309 /nfs/dbraw/zinc/16/33/09/936163309.db2.gz UVGNBTGAISVQKU-VIFPVBQESA-N -1 3 283.755 3.189 20 0 CGADHM [O-]c1ccc(CNc2cccc(C3CC3)n2)cc1F ZINC001336826006 936220986 /nfs/dbraw/zinc/22/09/86/936220986.db2.gz NPTYYZHJMGRDHJ-UHFFFAOYSA-N -1 3 258.296 3.416 20 0 CGADHM Cc1cc(=O)[n-]c(NCc2cccc(Cl)c2Cl)n1 ZINC001336908829 936227185 /nfs/dbraw/zinc/22/71/85/936227185.db2.gz IUFODFLHOGFSDI-UHFFFAOYSA-N -1 3 284.146 3.410 20 0 CGADHM O=c1[n-]c([C@@H]2CCCO2)nc2cc(-c3ccccc3)oc21 ZINC001337676677 936279168 /nfs/dbraw/zinc/27/91/68/936279168.db2.gz YBBRLPMVDGKYMP-LBPRGKRZSA-N -1 3 282.299 3.035 20 0 CGADHM CCc1cc(C(=O)[N-]c2noc(C(C)(C)C)c2C)no1 ZINC001535427088 938100951 /nfs/dbraw/zinc/10/09/51/938100951.db2.gz FIAXKZWVEZXWIP-UHFFFAOYSA-N -1 3 277.324 3.083 20 0 CGADHM O=C(O[C@H]1CCc2cccnc21)c1cccc(Cl)c1[O-] ZINC001538834710 938120998 /nfs/dbraw/zinc/12/09/98/938120998.db2.gz KTAXFDOWWZYBAL-LBPRGKRZSA-N -1 3 289.718 3.285 20 0 CGADHM Cc1nsc([N-]C(=O)c2c(Cl)oc3ccccc32)n1 ZINC001539534042 938125095 /nfs/dbraw/zinc/12/50/95/938125095.db2.gz IVJLVARWZCXWMS-UHFFFAOYSA-N -1 3 293.735 3.498 20 0 CGADHM Cc1ccc(CNC(=O)c2cc([O-])c3ccccc3c2)n1C ZINC001540333322 938130280 /nfs/dbraw/zinc/13/02/80/938130280.db2.gz JVEDFWGVRBMTPC-UHFFFAOYSA-N -1 3 294.354 3.122 20 0 CGADHM CC(C)c1ccc(C(=O)NCCc2ccccc2)c([O-])c1 ZINC001540358880 938130475 /nfs/dbraw/zinc/13/04/75/938130475.db2.gz VTUHYNUGAPNKNR-UHFFFAOYSA-N -1 3 283.371 3.488 20 0 CGADHM Cc1ccc(F)c([N-]C(=O)c2ocnc2C(F)(F)F)c1 ZINC001540432929 938131103 /nfs/dbraw/zinc/13/11/03/938131103.db2.gz VNIVWGXYESLOBK-UHFFFAOYSA-N -1 3 288.200 3.393 20 0 CGADHM CCc1ccc(C(=O)N[C@H]2C[C@@]2(C)c2ccccc2)c([O-])c1 ZINC001544978283 938148047 /nfs/dbraw/zinc/14/80/47/938148047.db2.gz BNAHBZDWJDTUGN-HKUYNNGSSA-N -1 3 295.382 3.415 20 0 CGADHM O=C([O-])[C@H]1CN(Cc2c(F)cccc2Cl)C[C@H]1C1CC1 ZINC001549118031 938155506 /nfs/dbraw/zinc/15/55/06/938155506.db2.gz XNKQSTRGVXDWRX-QWRGUYRKSA-N -1 3 297.757 3.022 20 0 CGADHM O=C([O-])[C@@]12CCC[C@@H]1N(c1ccnc3ccccc31)CC2 ZINC001549895020 938160660 /nfs/dbraw/zinc/16/06/60/938160660.db2.gz NUSLURJTAJAEBY-DOTOQJQBSA-N -1 3 282.343 3.068 20 0 CGADHM Nc1ccc(C(=O)N[C@H]2CCC[C@H]2c2ccccc2)c([O-])c1 ZINC001550090943 938162583 /nfs/dbraw/zinc/16/25/83/938162583.db2.gz SIKXTTJKJXPWPX-HOCLYGCPSA-N -1 3 296.370 3.041 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)N1CC[C@@H]1C1CCCCC1 ZINC001551749099 938185114 /nfs/dbraw/zinc/18/51/14/938185114.db2.gz DVELNDFGIJVAJL-OAHLLOKOSA-N -1 3 291.366 3.255 20 0 CGADHM O=C(CCCCc1ccc(Cl)cc1)[N-]OCC(F)F ZINC001556160527 938202233 /nfs/dbraw/zinc/20/22/33/938202233.db2.gz FEYYMSCAQWCMEZ-UHFFFAOYSA-N -1 3 291.725 3.366 20 0 CGADHM CCc1cccc(C(=O)Nc2cc3c(cn2)CCCC3)c1[O-] ZINC001556774240 938205570 /nfs/dbraw/zinc/20/55/70/938205570.db2.gz RPBJZIYMBOZQBO-UHFFFAOYSA-N -1 3 296.370 3.481 20 0 CGADHM O=C(Nc1c([O-])cccc1Cl)c1cccc2nccnc21 ZINC001556784352 938205701 /nfs/dbraw/zinc/20/57/01/938205701.db2.gz RPOKJHUGVAPISO-UHFFFAOYSA-N -1 3 299.717 3.241 20 0 CGADHM COc1cc(C(=O)Nc2c([O-])cccc2Cl)ccc1O ZINC001556784505 938205778 /nfs/dbraw/zinc/20/57/78/938205778.db2.gz WCWUQKHYDSNGCR-UHFFFAOYSA-N -1 3 293.706 3.012 20 0 CGADHM Cc1ncsc1/C=C/C(=O)Nc1c([O-])cccc1Cl ZINC001556785052 938205812 /nfs/dbraw/zinc/20/58/12/938205812.db2.gz LTDUYRYVFOAVFM-AATRIKPKSA-N -1 3 294.763 3.462 20 0 CGADHM CSc1ccc([O-])c(C(=O)N[C@@H]2C[C@@H]3CCCC[C@H]23)c1 ZINC001558139500 938213651 /nfs/dbraw/zinc/21/36/51/938213651.db2.gz VDVOSDNTGZRULE-VHRBIJSZSA-N -1 3 291.416 3.423 20 0 CGADHM Cc1cccc(C(=O)Nc2ccc(C(C)C)nc2)c1[O-] ZINC001558479954 938215692 /nfs/dbraw/zinc/21/56/92/938215692.db2.gz PUGUMSZPFYFXDJ-UHFFFAOYSA-N -1 3 270.332 3.471 20 0 CGADHM O=C(c1ccccc1[O-])N1CC(c2ccc(Cl)cc2)C1 ZINC001558981659 938218803 /nfs/dbraw/zinc/21/88/03/938218803.db2.gz KZXQCVSXHITBNU-UHFFFAOYSA-N -1 3 287.746 3.285 20 0 CGADHM CCOC1CC2(C1)CCN(Cc1ccc([O-])c(F)c1F)C2 ZINC001560820127 938278148 /nfs/dbraw/zinc/27/81/48/938278148.db2.gz KSUZLUMPNOBFKG-UHFFFAOYSA-N -1 3 297.345 3.061 20 0 CGADHM O=C([O-])[C@@H](NCc1ccc2occc2c1)c1ccc(F)cc1 ZINC001594844647 954126210 /nfs/dbraw/zinc/12/62/10/954126210.db2.gz XABYOCRPOIIAJN-INIZCTEOSA-N -1 3 299.301 3.487 20 0 CGADHM Cc1cc(F)ccc1CNCc1ccccc1C(=O)[O-] ZINC001594310689 958012508 /nfs/dbraw/zinc/01/25/08/958012508.db2.gz CCAOBWHBQSHJNS-UHFFFAOYSA-N -1 3 273.307 3.122 20 0 CGADHM CN(Cc1ccc(C(C)(C)C)s1)C(C)(C)C(=O)[O-] ZINC000166280817 959302734 /nfs/dbraw/zinc/30/27/34/959302734.db2.gz OEFYUTXCPJWQTG-UHFFFAOYSA-N -1 3 269.410 3.341 20 0 CGADHM O=C([O-])CCNC1(c2c(Cl)cccc2Cl)CCC1 ZINC001595061724 960527709 /nfs/dbraw/zinc/52/77/09/960527709.db2.gz TVVRDRAXIVVEEV-UHFFFAOYSA-N -1 3 288.174 3.437 20 0 CGADHM O=C([O-])[C@H](N[C@H]1C=CCC1)c1cccc(Cl)c1Cl ZINC001601668195 960544981 /nfs/dbraw/zinc/54/49/81/960544981.db2.gz MWFIVPCBRPZHSD-QPUJVOFHSA-N -1 3 286.158 3.427 20 0 CGADHM O=C(Cc1cc(F)ccc1O)Nc1cc(Cl)ccc1[O-] ZINC001566639307 960977951 /nfs/dbraw/zinc/97/79/51/960977951.db2.gz SWVBXCOCJFEWKC-UHFFFAOYSA-N -1 3 295.697 3.072 20 0 CGADHM C[C@H](c1ccc(F)c(Cl)c1)N1CC[C@@H](C(=O)[O-])[C@H]1C ZINC000252590461 961273679 /nfs/dbraw/zinc/27/36/79/961273679.db2.gz CSYZPBTZFKFLCX-FXPVBKGRSA-N -1 3 285.746 3.335 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)Cc1ccc(C)c(Cl)c1 ZINC001569750388 961841622 /nfs/dbraw/zinc/84/16/22/961841622.db2.gz UMBXFQOYUTVYFV-SNVBAGLBSA-N -1 3 269.772 3.285 20 0 CGADHM CC(C)c1ccc(C(=O)N[C@@H]2C[C@H]2C2CCC2)c([O-])c1 ZINC001570554897 962000357 /nfs/dbraw/zinc/00/03/57/962000357.db2.gz RXAUZBSFGFXIBN-LSDHHAIUSA-N -1 3 273.376 3.434 20 0 CGADHM Cc1cc(CN[C@H](C(=O)[O-])c2ccc(F)cc2)cs1 ZINC001574329525 962291867 /nfs/dbraw/zinc/29/18/67/962291867.db2.gz DPNLVBRQKMHEGH-ZDUSSCGKSA-N -1 3 279.336 3.111 20 0 CGADHM C[C@H]1CC(Sc2cc(-c3nnn[n-]3)ccn2)C[C@H](C)C1 ZINC001575970275 962431309 /nfs/dbraw/zinc/43/13/09/962431309.db2.gz OUOVINHXOCXKEX-NXEZZACHSA-N -1 3 289.408 3.179 20 0 CGADHM C[C@H]1CC(Sc2cc(-c3nn[n-]n3)ccn2)C[C@H](C)C1 ZINC001575970275 962431318 /nfs/dbraw/zinc/43/13/18/962431318.db2.gz OUOVINHXOCXKEX-NXEZZACHSA-N -1 3 289.408 3.179 20 0 CGADHM CCC[C@H](CC)Sc1cc(-c2nnn[n-]2)cc(C)n1 ZINC001577319246 962529843 /nfs/dbraw/zinc/52/98/43/962529843.db2.gz NAXZQCUFUZCWNJ-NSHDSACASA-N -1 3 277.397 3.241 20 0 CGADHM CCC[C@H](CC)Sc1cc(-c2nn[n-]n2)cc(C)n1 ZINC001577319246 962529862 /nfs/dbraw/zinc/52/98/62/962529862.db2.gz NAXZQCUFUZCWNJ-NSHDSACASA-N -1 3 277.397 3.241 20 0 CGADHM Cc1cccc(-c2nnn[n-]2)c1SC/C=C\Cl ZINC001581218789 962747693 /nfs/dbraw/zinc/74/76/93/962747693.db2.gz DEFVFEHFUMKGDK-UTCJRWHESA-N -1 3 266.757 3.020 20 0 CGADHM Cc1cccc(-c2nn[n-]n2)c1SC/C=C\Cl ZINC001581218789 962747711 /nfs/dbraw/zinc/74/77/11/962747711.db2.gz DEFVFEHFUMKGDK-UTCJRWHESA-N -1 3 266.757 3.020 20 0 CGADHM Cc1cc(N[C@@H](C)CC2CCC2)cc(-c2nnn[n-]2)c1 ZINC001580987664 962754817 /nfs/dbraw/zinc/75/48/17/962754817.db2.gz KVQKBUPENYLBSU-NSHDSACASA-N -1 3 271.368 3.166 20 0 CGADHM Cc1cc(N[C@@H](C)CC2CCC2)cc(-c2nn[n-]n2)c1 ZINC001580987664 962754825 /nfs/dbraw/zinc/75/48/25/962754825.db2.gz KVQKBUPENYLBSU-NSHDSACASA-N -1 3 271.368 3.166 20 0 CGADHM Cc1cc(F)c(-c2nnn[n-]2)c(N[C@H]2CCC[C@H](F)C2)c1 ZINC001580930828 962755556 /nfs/dbraw/zinc/75/55/56/962755556.db2.gz MHHSVIHHBIXUMT-UWVGGRQHSA-N -1 3 293.321 3.007 20 0 CGADHM Cc1cc(F)c(-c2nn[n-]n2)c(N[C@H]2CCC[C@H](F)C2)c1 ZINC001580930828 962755568 /nfs/dbraw/zinc/75/55/68/962755568.db2.gz MHHSVIHHBIXUMT-UWVGGRQHSA-N -1 3 293.321 3.007 20 0 CGADHM COc1ccc(C(=O)N[C@@H]2CCC[C@@H](C(C)C)C2)c([O-])c1 ZINC001585519780 963023792 /nfs/dbraw/zinc/02/37/92/963023792.db2.gz VVQJKPABWVXDTA-CHWSQXEVSA-N -1 3 291.391 3.345 20 0 CGADHM O=C(NCCCc1ccco1)c1cc([O-])ccc1Cl ZINC001585682285 963034424 /nfs/dbraw/zinc/03/44/24/963034424.db2.gz WRCJDXHFMOXFIT-UHFFFAOYSA-N -1 3 279.723 3.001 20 0 CGADHM CCc1cc([N-]C(=O)c2cc(F)c(F)c(F)c2F)no1 ZINC001586726623 963133156 /nfs/dbraw/zinc/13/31/56/963133156.db2.gz JONLIZXHWZRVQN-UHFFFAOYSA-N -1 3 288.200 3.046 20 0 CGADHM CN(Cc1ccsc1Cl)C1(C(=O)[O-])CCCC1 ZINC000308351765 963267966 /nfs/dbraw/zinc/26/79/66/963267966.db2.gz BFVKOJWXWSGGRZ-UHFFFAOYSA-N -1 3 273.785 3.231 20 0 CGADHM CC(C)(C)c1ccc(Nc2ncccc2-c2nnn[n-]2)cc1 ZINC001589226968 963354611 /nfs/dbraw/zinc/35/46/11/963354611.db2.gz HSTXKUDOYPPPKT-UHFFFAOYSA-N -1 3 294.362 3.303 20 0 CGADHM CC(C)(C)c1ccc(Nc2ncccc2-c2nn[n-]n2)cc1 ZINC001589226968 963354619 /nfs/dbraw/zinc/35/46/19/963354619.db2.gz HSTXKUDOYPPPKT-UHFFFAOYSA-N -1 3 294.362 3.303 20 0 CGADHM CC(C)(CCSc1ccc(-c2nnn[n-]2)cn1)C1CC1 ZINC001589276425 963977131 /nfs/dbraw/zinc/97/71/31/963977131.db2.gz YMPFHQDFVHFAAJ-UHFFFAOYSA-N -1 3 289.408 3.180 20 0 CGADHM CC(C)(CCSc1ccc(-c2nn[n-]n2)cn1)C1CC1 ZINC001589276425 963977137 /nfs/dbraw/zinc/97/71/37/963977137.db2.gz YMPFHQDFVHFAAJ-UHFFFAOYSA-N -1 3 289.408 3.180 20 0 CGADHM CC(C)(F)CCNc1cccc(Cl)c1-c1nnn[n-]1 ZINC001589312922 963977909 /nfs/dbraw/zinc/97/79/09/963977909.db2.gz ZVQKRESYZHWORJ-UHFFFAOYSA-N -1 3 283.738 3.070 20 0 CGADHM CC(C)(F)CCNc1cccc(Cl)c1-c1nn[n-]n1 ZINC001589312922 963977911 /nfs/dbraw/zinc/97/79/11/963977911.db2.gz ZVQKRESYZHWORJ-UHFFFAOYSA-N -1 3 283.738 3.070 20 0 CGADHM CC(C)=CCC[C@@H](C)Nc1nccc(C)c1-c1nnn[n-]1 ZINC001589372811 963982867 /nfs/dbraw/zinc/98/28/67/963982867.db2.gz VUUVKIQDMXIXMV-GFCCVEGCSA-N -1 3 286.383 3.117 20 0 CGADHM CC(C)=CCC[C@@H](C)Nc1nccc(C)c1-c1nn[n-]n1 ZINC001589372811 963982874 /nfs/dbraw/zinc/98/28/74/963982874.db2.gz VUUVKIQDMXIXMV-GFCCVEGCSA-N -1 3 286.383 3.117 20 0 CGADHM CC(C)CCOCCSc1ccc(-c2nnn[n-]2)cc1 ZINC001589606733 964009428 /nfs/dbraw/zinc/00/94/28/964009428.db2.gz FKUQCPFTYQIHIB-UHFFFAOYSA-N -1 3 292.408 3.022 20 0 CGADHM CC(C)CCOCCSc1ccc(-c2nn[n-]n2)cc1 ZINC001589606733 964009438 /nfs/dbraw/zinc/00/94/38/964009438.db2.gz FKUQCPFTYQIHIB-UHFFFAOYSA-N -1 3 292.408 3.022 20 0 CGADHM O=C([O-])c1ccc(CN[C@@H](c2cccnc2)C2CCC2)cc1 ZINC001606491229 973975654 /nfs/dbraw/zinc/97/56/54/973975654.db2.gz VOGLCOCOYIGRCJ-QGZVFWFLSA-N -1 3 296.370 3.411 20 0 CGADHM CCCC[C@@H](N[C@H](CF)c1ccc(F)cc1)C(=O)[O-] ZINC001595637513 981932136 /nfs/dbraw/zinc/93/21/36/981932136.db2.gz JXSRLHDBHUFRNG-CHWSQXEVSA-N -1 3 271.307 3.069 20 0 CGADHM CCN([C@@H](C)c1ncc(C(=O)[O-])s1)C(C)(C)C ZINC001596180844 983550413 /nfs/dbraw/zinc/55/04/13/983550413.db2.gz HROKWDUHAVFWBM-QMMMGPOBSA-N -1 3 256.371 3.023 20 0 CGADHM Cc1[nH]c(CN2CCCc3ccccc3CC2)cc1C(=O)[O-] ZINC001599962217 985807925 /nfs/dbraw/zinc/80/79/25/985807925.db2.gz DTSIJCXATTXJJB-UHFFFAOYSA-N -1 3 298.386 3.012 20 0 CGADHM CC(C)(C)c1ccncc1CN[C@H](C(=O)[O-])c1ccccc1 ZINC001590515294 990124230 /nfs/dbraw/zinc/12/42/30/990124230.db2.gz CMWNALOKDFANLJ-INIZCTEOSA-N -1 3 298.386 3.295 20 0 CGADHM CC(C)(/C=C\Cl)NCc1cc(C(=O)[O-])cs1 ZINC001590615584 990291576 /nfs/dbraw/zinc/29/15/76/990291576.db2.gz YSHWKWPYIKQBCJ-ARJAWSKDSA-N -1 3 259.758 3.067 20 0 CGADHM CN(CC/C=C\c1ccccc1)Cc1ccc(C(=O)[O-])cn1 ZINC001598472060 992042019 /nfs/dbraw/zinc/04/20/19/992042019.db2.gz KTRWLGSGULTEKS-UITAMQMPSA-N -1 3 296.370 3.315 20 0 CGADHM CN(CCCF)Cc1ccc(-c2ccccc2C(=O)[O-])o1 ZINC001598478106 992107222 /nfs/dbraw/zinc/10/72/22/992107222.db2.gz ZVSRCXAMXBKQAF-UHFFFAOYSA-N -1 3 291.322 3.436 20 0 CGADHM CO[C@H](C)CN(Cc1c(Cl)cccc1C(=O)[O-])C(C)C ZINC001599037599 999094911 /nfs/dbraw/zinc/09/49/11/999094911.db2.gz JEKHRKJDQJULNY-LLVKDONJSA-N -1 3 299.798 3.284 20 0 CGADHM CC(C)c1[nH]c(CN2C[C@H](C)CC[C@H]2C)cc1C(=O)[O-] ZINC001594299709 999157521 /nfs/dbraw/zinc/15/75/21/999157521.db2.gz GJNSARYXDIBMQX-VXGBXAGGSA-N -1 3 278.396 3.457 20 0 CGADHM Cn1ccc(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])c1 ZINC000337434354 214081268 /nfs/dbraw/zinc/08/12/68/214081268.db2.gz WLUQDLDYHUUMMF-UHFFFAOYSA-N -1 3 272.348 3.281 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)N[C@H](C(F)F)C2CCCCC2)n1 ZINC000621402119 349520640 /nfs/dbraw/zinc/52/06/40/349520640.db2.gz TYZQKIAFBGXREH-MFKMUULPSA-N -1 3 299.365 3.355 20 0 CGADHM CSc1ccccc1[C@H](C)NC(=O)c1csc(=O)[n-]1 ZINC000337542897 214148586 /nfs/dbraw/zinc/14/85/86/214148586.db2.gz KHTWNNXUPAOHPI-QMMMGPOBSA-N -1 3 294.401 3.062 20 0 CGADHM CC(C)c1scnc1C(=O)NCc1ccc([O-])c(F)c1 ZINC000290036193 197571276 /nfs/dbraw/zinc/57/12/76/197571276.db2.gz LCOXRVCJROTZEF-UHFFFAOYSA-N -1 3 294.351 3.041 20 0 CGADHM CC(C)(C(=O)Nc1ccc(Cl)cc1[O-])C(F)F ZINC000350703748 219049453 /nfs/dbraw/zinc/04/94/53/219049453.db2.gz UQMIOAFRWUOPFV-UHFFFAOYSA-N -1 3 263.671 3.275 20 0 CGADHM CCCC[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cccs1 ZINC000590072179 346825047 /nfs/dbraw/zinc/82/50/47/346825047.db2.gz LQXCGZBGHYPWAP-NEPJUHHUSA-N -1 3 287.450 3.385 20 0 CGADHM CCC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cccs1 ZINC000590610315 346855114 /nfs/dbraw/zinc/85/51/14/346855114.db2.gz IDXSNAFKKOLJJG-NWDGAFQWSA-N -1 3 287.450 3.385 20 0 CGADHM CCCC(C)(C)C(=O)Nc1ccc(OC)cc1[O-] ZINC000651854649 398297491 /nfs/dbraw/zinc/29/74/91/398297491.db2.gz TUHPEOFFXHFMTA-UHFFFAOYSA-N -1 3 251.326 3.166 20 0 CGADHM COc1ccc(NC(=O)[C@@H]2CCc3ccccc3C2)c([O-])c1 ZINC000651854405 398297651 /nfs/dbraw/zinc/29/76/51/398297651.db2.gz AZDOXJQMUDNEAP-CQSZACIVSA-N -1 3 297.354 3.144 20 0 CGADHM O=C(N[C@@H]1CCC[C@@H]2C[C@@H]21)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622101113 349629712 /nfs/dbraw/zinc/62/97/12/349629712.db2.gz XESLYGDJLCGAEA-OXHMUOHRSA-N -1 3 299.292 3.329 20 0 CGADHM CC1(C)CCN(C(=O)c2cc(F)c[n-]c2=O)CC(C)(C)C1 ZINC000622162432 349641679 /nfs/dbraw/zinc/64/16/79/349641679.db2.gz KCGLDCMZOGYXHO-UHFFFAOYSA-N -1 3 294.370 3.215 20 0 CGADHM CC(C)c1ccc(C(=O)NCC[C@@H]2CC2(F)F)c([O-])c1 ZINC000622201678 349649587 /nfs/dbraw/zinc/64/95/87/349649587.db2.gz PDURNJXFBUHGCH-LLVKDONJSA-N -1 3 283.318 3.291 20 0 CGADHM Cc1ccc([O-])c(CNCc2ccc([C@@H]3C[C@H]3C)o2)n1 ZINC000590881346 346883201 /nfs/dbraw/zinc/88/32/01/346883201.db2.gz WGWCHBWKTVBJQM-ZWNOBZJWSA-N -1 3 272.348 3.102 20 0 CGADHM O=C(c1ccc2c(c1[O-])CCCC2)N1CC(CC2CC2)C1 ZINC000622248365 349659983 /nfs/dbraw/zinc/65/99/83/349659983.db2.gz MOBALICIMSCQTF-UHFFFAOYSA-N -1 3 285.387 3.143 20 0 CGADHM CCc1ccc(NC(=O)Cc2ccc([O-])c(F)c2)cc1 ZINC000622275781 349666813 /nfs/dbraw/zinc/66/68/13/349666813.db2.gz RDHCTBKIECFMHX-UHFFFAOYSA-N -1 3 273.307 3.275 20 0 CGADHM Cc1ccc(NC(=O)Cc2ccc([O-])c(F)c2)c(F)c1 ZINC000622286352 349667792 /nfs/dbraw/zinc/66/77/92/349667792.db2.gz BEIOZFSLQMXFDO-UHFFFAOYSA-N -1 3 277.270 3.160 20 0 CGADHM COc1ccc(NC(=O)Cc2ccc([O-])c(F)c2)c(C)c1 ZINC000622347742 349674029 /nfs/dbraw/zinc/67/40/29/349674029.db2.gz UTTHIDKKJFMTPZ-UHFFFAOYSA-N -1 3 289.306 3.030 20 0 CGADHM CCN=c1[n-]c(C(=O)Nc2cc(F)cc(Cl)c2)cs1 ZINC000622444386 349678964 /nfs/dbraw/zinc/67/89/64/349678964.db2.gz GRJVNLNYWXPHMP-UHFFFAOYSA-N -1 3 299.758 3.042 20 0 CGADHM CNc1cc(Cl)ccc1C(=O)Nc1ccccc1[O-] ZINC000622322381 349671964 /nfs/dbraw/zinc/67/19/64/349671964.db2.gz NJRCREQCZVEIHN-UHFFFAOYSA-N -1 3 276.723 3.340 20 0 CGADHM Cc1ccc(C(=O)NCC2(C3CC3)CCC2)c([O-])c1C ZINC000622458759 349680818 /nfs/dbraw/zinc/68/08/18/349680818.db2.gz XSLFOYJSTVYIDA-UHFFFAOYSA-N -1 3 273.376 3.319 20 0 CGADHM CCc1ccc([O-])c(C(=O)NCC2(OC)CCCCC2)c1 ZINC000622520312 349683566 /nfs/dbraw/zinc/68/35/66/349683566.db2.gz OBSXUPCWFQLPOV-UHFFFAOYSA-N -1 3 291.391 3.034 20 0 CGADHM CCc1cc(C(=O)N2CC[C@@H](C)[C@@H]2CC)ccc1[O-] ZINC000436673451 529514513 /nfs/dbraw/zinc/51/45/13/529514513.db2.gz QOFHSPWFSNEDPT-RISCZKNCSA-N -1 3 261.365 3.215 20 0 CGADHM CCc1cc(C(=O)N2CC[C@@H](C)[C@H]2CC)ccc1[O-] ZINC000436673273 529514565 /nfs/dbraw/zinc/51/45/65/529514565.db2.gz QOFHSPWFSNEDPT-BXUZGUMPSA-N -1 3 261.365 3.215 20 0 CGADHM CCc1cc(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])n[nH]1 ZINC000436521347 529520597 /nfs/dbraw/zinc/52/05/97/529520597.db2.gz LVLQLKPXAQWYOH-UHFFFAOYSA-N -1 3 287.363 3.228 20 0 CGADHM CCc1ccc(-c2nc(-c3cc(C)ccn3)no2)c([O-])c1 ZINC000436845512 529575613 /nfs/dbraw/zinc/57/56/13/529575613.db2.gz TYCUXOQJBGZKOT-UHFFFAOYSA-N -1 3 281.315 3.375 20 0 CGADHM CCc1ccc(C(=O)N(C)[C@H]2CC[C@@H](C)C2)c([O-])c1 ZINC000436877056 529593307 /nfs/dbraw/zinc/59/33/07/529593307.db2.gz MSEQVKXXWHSJPT-YPMHNXCESA-N -1 3 261.365 3.215 20 0 CGADHM CCc1ccc(C(=O)N2CCc3cc(F)ccc3C2)c([O-])c1 ZINC000436838785 529600487 /nfs/dbraw/zinc/60/04/87/529600487.db2.gz LIXAPSQMLVAXFQ-UHFFFAOYSA-N -1 3 299.345 3.292 20 0 CGADHM CCc1ccc(C(=O)N2[C@@H](C)CC[C@@H]2CC)c([O-])c1 ZINC000436841522 529601175 /nfs/dbraw/zinc/60/11/75/529601175.db2.gz AZXOIXILKAMCKS-AAEUAGOBSA-N -1 3 261.365 3.358 20 0 CGADHM CCc1ccnc(-c2noc(-c3cc(C)ccc3[O-])n2)c1 ZINC000436595276 529624784 /nfs/dbraw/zinc/62/47/84/529624784.db2.gz KZWJQHDCWXIGEZ-UHFFFAOYSA-N -1 3 281.315 3.375 20 0 CGADHM CCc1ccc([O-])c(C(=O)NC[C@@H]2CCC(F)(F)C2)c1 ZINC000435965000 529691965 /nfs/dbraw/zinc/69/19/65/529691965.db2.gz YMZMEQCPEOHEBC-LLVKDONJSA-N -1 3 283.318 3.120 20 0 CGADHM Cc1cccc([O-])c1C(=O)N(C)[C@H](C)c1ccco1 ZINC000623922470 349916459 /nfs/dbraw/zinc/91/64/59/349916459.db2.gz AKXGVXWXXQAUFU-LLVKDONJSA-N -1 3 259.305 3.127 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CCCc3sccc3C2)c1 ZINC000593422994 347075005 /nfs/dbraw/zinc/07/50/05/347075005.db2.gz XNXDRJQXDOJYDG-UHFFFAOYSA-N -1 3 287.384 3.351 20 0 CGADHM CCC[C@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000016093406 344885221 /nfs/dbraw/zinc/88/52/21/344885221.db2.gz KKZMFZNCZQGRQH-QMMMGPOBSA-N -1 3 296.219 3.460 20 0 CGADHM Cc1cc(C(=O)Nc2cc(C(C)(C)C)ccc2[O-])on1 ZINC000021006770 344892365 /nfs/dbraw/zinc/89/23/65/344892365.db2.gz HJLAJTFEUSSJEC-UHFFFAOYSA-N -1 3 274.320 3.238 20 0 CGADHM COc1ccc([C@@H](C)NC(=O)c2ccccc2[O-])cc1F ZINC000024078487 344898964 /nfs/dbraw/zinc/89/89/64/344898964.db2.gz QUCFXYSVQQMXMP-SNVBAGLBSA-N -1 3 289.306 3.031 20 0 CGADHM O=S(=O)([N-][C@@H]1CC[C@H]2CCCC[C@@H]2C1)c1cccs1 ZINC000031075578 344925031 /nfs/dbraw/zinc/92/50/31/344925031.db2.gz IPALZGIAJPBQDT-JHJVBQTASA-N -1 3 299.461 3.385 20 0 CGADHM C[C@@H]1Cc2ccccc2N1C(=O)c1cc(-c2ccco2)[n-]n1 ZINC000029803297 344919797 /nfs/dbraw/zinc/91/97/97/344919797.db2.gz ZOIDDNMJEBUYBN-LLVKDONJSA-N -1 3 293.326 3.261 20 0 CGADHM C[C@@H]1Cc2ccccc2N1C(=O)c1cc(-c2ccco2)n[n-]1 ZINC000029803297 344919798 /nfs/dbraw/zinc/91/97/98/344919798.db2.gz ZOIDDNMJEBUYBN-LLVKDONJSA-N -1 3 293.326 3.261 20 0 CGADHM COc1ccc(CCC(=O)Nc2ccccc2[O-])cc1F ZINC000045620882 345028340 /nfs/dbraw/zinc/02/83/40/345028340.db2.gz LEEQZZSUJKCIBL-UHFFFAOYSA-N -1 3 289.306 3.111 20 0 CGADHM O=C(CCCOCc1ccccc1)Nc1ccccc1[O-] ZINC000051341505 345089125 /nfs/dbraw/zinc/08/91/25/345089125.db2.gz ZVKXOCGIWQDYND-UHFFFAOYSA-N -1 3 285.343 3.328 20 0 CGADHM Cc1oc(C(=O)[O-])cc1CN1CCCc2ccccc2C1 ZINC000062944877 345242490 /nfs/dbraw/zinc/24/24/90/345242490.db2.gz JTRWHWHKHYUTAH-UHFFFAOYSA-N -1 3 285.343 3.235 20 0 CGADHM C[C@H]1C[C@H](C)CN(C(=O)c2cc3c(cc2[O-])CCCC3)C1 ZINC000065616972 345275870 /nfs/dbraw/zinc/27/58/70/345275870.db2.gz PRIGPLUZRODQIJ-STQMWFEESA-N -1 3 287.403 3.389 20 0 CGADHM CCC[C@@H](C)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000072542565 345412480 /nfs/dbraw/zinc/41/24/80/345412480.db2.gz MFKZXXNAHXSVLT-SECBINFHSA-N -1 3 295.326 3.172 20 0 CGADHM CC(C)c1cc(C(=O)[N-]c2ncccc2OC(F)F)on1 ZINC000072667814 345415452 /nfs/dbraw/zinc/41/54/52/345415452.db2.gz YMYYBSRCYLLKRK-UHFFFAOYSA-N -1 3 297.261 3.047 20 0 CGADHM C[C@@H]1CCC[C@@H](NC(=O)c2cc(=O)c3ccccc3[n-]2)[C@@H]1C ZINC000070736775 345394098 /nfs/dbraw/zinc/39/40/98/345394098.db2.gz MOYUUVLPXUIFEB-YRGRVCCFSA-N -1 3 298.386 3.083 20 0 CGADHM CCN(CCC(=O)[O-])Cc1cc(Cl)cc(Cl)c1 ZINC000086754311 345750562 /nfs/dbraw/zinc/75/05/62/345750562.db2.gz PQUUMQALSDSETB-UHFFFAOYSA-N -1 3 276.163 3.290 20 0 CGADHM CCc1cccc(C(=O)N[C@@H](C)c2ncc(C)s2)c1[O-] ZINC000081808659 345718801 /nfs/dbraw/zinc/71/88/01/345718801.db2.gz CWOKLPYJSJHCIA-JTQLQIEISA-N -1 3 290.388 3.211 20 0 CGADHM CCc1cccc(C(=O)N(C)[C@H](C)c2ccncc2)c1[O-] ZINC000094067864 345894694 /nfs/dbraw/zinc/89/46/94/345894694.db2.gz QIAKJQWPIDMULK-GFCCVEGCSA-N -1 3 284.359 3.183 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2[C@H](C)C[C@H]3CCCC[C@@H]32)c1 ZINC000173051889 232277699 /nfs/dbraw/zinc/27/76/99/232277699.db2.gz IAZGTUYJVLNQNE-NFAWXSAZSA-N -1 3 273.376 3.494 20 0 CGADHM Cc1cccc(CCC(=O)NCc2ccc([O-])c(F)c2)c1 ZINC000132778916 346074017 /nfs/dbraw/zinc/07/40/17/346074017.db2.gz NQDFDZLPPLMLAQ-UHFFFAOYSA-N -1 3 287.334 3.089 20 0 CGADHM Cc1cc(C(=O)N[C@H]2CCc3ccccc32)ccc1[O-] ZINC000142074917 346109903 /nfs/dbraw/zinc/10/99/03/346109903.db2.gz LCMZVIJNZMGGSM-HNNXBMFYSA-N -1 3 267.328 3.118 20 0 CGADHM O=C(NCc1ccc([O-])c(F)c1)N(C1CC1)C1CCCC1 ZINC000175551590 346248087 /nfs/dbraw/zinc/24/80/87/346248087.db2.gz GQLRZUUCSBPQQU-UHFFFAOYSA-N -1 3 292.354 3.148 20 0 CGADHM CCCn1nc(C)c(C(=O)Nc2ccc([O-])cc2F)c1C ZINC000183361496 346257390 /nfs/dbraw/zinc/25/73/90/346257390.db2.gz DASZJGDKFKQLTD-UHFFFAOYSA-N -1 3 291.326 3.007 20 0 CGADHM Cc1sc(C(=O)[O-])cc1CN1CCS[C@H](C)[C@H]1C ZINC000228976189 346316082 /nfs/dbraw/zinc/31/60/82/346316082.db2.gz KSECHHRFINDURB-RKDXNWHRSA-N -1 3 285.434 3.081 20 0 CGADHM CCc1cc(=O)[n-]c(CN[C@@]2(C)CCCc3ccccc32)n1 ZINC000351724515 219186918 /nfs/dbraw/zinc/18/69/18/219186918.db2.gz YOBDDJACISGFDY-SFHVURJKSA-N -1 3 297.402 3.086 20 0 CGADHM CC[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(C)ccc2F)C1 ZINC000303761944 346446426 /nfs/dbraw/zinc/44/64/26/346446426.db2.gz ADLHLJNNGBIQMR-STQMWFEESA-N -1 3 299.411 3.381 20 0 CGADHM CC(C)[C@]1(C(=O)[O-])CCN([C@H](C)c2ccc(F)cc2F)C1 ZINC000300289064 346436909 /nfs/dbraw/zinc/43/69/09/346436909.db2.gz VAAXYTLUSVNPCO-BZNIZROVSA-N -1 3 297.345 3.459 20 0 CGADHM CCc1ccccc1NC(=O)c1cc(C(F)(F)F)n[n-]1 ZINC000339232533 215030125 /nfs/dbraw/zinc/03/01/25/215030125.db2.gz GFYFZMAHBXYPLC-UHFFFAOYSA-N -1 3 283.253 3.243 20 0 CGADHM CCc1ccccc1NC(=O)c1cc(C(F)(F)F)[n-]n1 ZINC000339232533 215030128 /nfs/dbraw/zinc/03/01/28/215030128.db2.gz GFYFZMAHBXYPLC-UHFFFAOYSA-N -1 3 283.253 3.243 20 0 CGADHM c1cc(-c2noc(C3=CCCCCC3)n2)cc2n[n-]nc12 ZINC000584784812 346714553 /nfs/dbraw/zinc/71/45/53/346714553.db2.gz UWTVTOQBHAPFMK-UHFFFAOYSA-N -1 3 281.319 3.355 20 0 CGADHM CC1(C(=O)N=c2cc3ccccn3[n-]2)CCCCCC1 ZINC000584830064 346717300 /nfs/dbraw/zinc/71/73/00/346717300.db2.gz DPRIYUUYOVCULW-UHFFFAOYSA-N -1 3 271.364 3.055 20 0 CGADHM O=C(CCCC1CCCC1)N=c1cc(-c2cccnc2)[n-][nH]1 ZINC000339278914 215059260 /nfs/dbraw/zinc/05/92/60/215059260.db2.gz ASQRWYZRUNVIGT-UHFFFAOYSA-N -1 3 298.390 3.193 20 0 CGADHM CS[C@H]1CCCCN(C(=O)c2c(C)cccc2[O-])C1 ZINC000599704958 347767956 /nfs/dbraw/zinc/76/79/56/347767956.db2.gz QUBWHMBFUIYLSZ-LBPRGKRZSA-N -1 3 279.405 3.058 20 0 CGADHM CC1(C)CO[C@@H](CSCc2cc(=O)[n-]c(C3CC3)n2)C1 ZINC000601056378 347859836 /nfs/dbraw/zinc/85/98/36/347859836.db2.gz RBFKHVICAYTYKM-GFCCVEGCSA-N -1 3 294.420 3.108 20 0 CGADHM Cc1nccnc1C(=O)Nc1cc(C(C)(C)C)ccc1[O-] ZINC000612755761 348543932 /nfs/dbraw/zinc/54/39/32/348543932.db2.gz MQRAXETVQQAOOZ-UHFFFAOYSA-N -1 3 285.347 3.040 20 0 CGADHM CO[C@H](C(=O)Nc1ccc([O-])cc1F)C1CCCCC1 ZINC000613329895 348591138 /nfs/dbraw/zinc/59/11/38/348591138.db2.gz BYEZGLRMCGHKEC-AWEZNQCLSA-N -1 3 281.327 3.065 20 0 CGADHM CCc1noc(C)c1[N-]C(=O)c1cc(COC)cs1 ZINC000612981355 348556935 /nfs/dbraw/zinc/55/69/35/348556935.db2.gz BFFLTDWLHZKEAG-UHFFFAOYSA-N -1 3 280.349 3.006 20 0 CGADHM O=C(CCCc1cccnc1)N1CCCc2cccc([O-])c21 ZINC000613159853 348569014 /nfs/dbraw/zinc/56/90/14/348569014.db2.gz POQXCTRUIGMISO-UHFFFAOYSA-N -1 3 296.370 3.089 20 0 CGADHM CO[C@H](C(=O)N1CC[C@@H](C)c2cccc([O-])c21)C1CCC1 ZINC000613575469 348619925 /nfs/dbraw/zinc/61/99/25/348619925.db2.gz DCYQWSQQXYIFFJ-BZNIZROVSA-N -1 3 289.375 3.048 20 0 CGADHM CC(C)CCCC(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000615133675 348716621 /nfs/dbraw/zinc/71/66/21/348716621.db2.gz LSACGPAGLYZWJO-UHFFFAOYSA-N -1 3 261.325 3.033 20 0 CGADHM CC[C@H](C)CCC(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000615133454 348716722 /nfs/dbraw/zinc/71/67/22/348716722.db2.gz CINRFAJATWKFKV-VIFPVBQESA-N -1 3 261.325 3.033 20 0 CGADHM C[C@H]1CC[C@@H](CC(=O)NCc2ccc([O-])c3ncccc23)C1 ZINC000616024975 348782510 /nfs/dbraw/zinc/78/25/10/348782510.db2.gz IURZXBPJYBLWDU-QWHCGFSZSA-N -1 3 298.386 3.383 20 0 CGADHM O=C(Nc1ccc([O-])cc1Cl)[C@H]1C[C@H]2C[C@H]2C1 ZINC000616943208 348885906 /nfs/dbraw/zinc/88/59/06/348885906.db2.gz SBJNKVANGHFRLU-BRPSZJMVSA-N -1 3 251.713 3.030 20 0 CGADHM Cc1ccncc1CCNC(=O)c1ccc(C(C)C)cc1[O-] ZINC000617652725 348996882 /nfs/dbraw/zinc/99/68/82/348996882.db2.gz MOJFNPHCQODYKX-UHFFFAOYSA-N -1 3 298.386 3.192 20 0 CGADHM Cc1cc(=O)[n-]c(C=CC=Cc2ccc(F)cc2F)n1 ZINC000352025277 219292813 /nfs/dbraw/zinc/29/28/13/219292813.db2.gz DUNPQVUHZDJBTA-ZUVMSYQZSA-N -1 3 274.270 3.083 20 0 CGADHM COc1ccccc1C=Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000352021013 219292940 /nfs/dbraw/zinc/29/29/40/219292940.db2.gz LLVZCMVYXLKZIU-HJWRWDBZSA-N -1 3 268.316 3.239 20 0 CGADHM [O-]c1ccc(Br)c(CN[C@@H]2CCC[C@@H]2F)c1 ZINC000339586861 215260017 /nfs/dbraw/zinc/26/00/17/215260017.db2.gz MOAVMOPQEPAFOQ-NWDGAFQWSA-N -1 3 288.160 3.135 20 0 CGADHM COc1cccc(C(=O)N[C@@H](C)C2CCC(F)CC2)c1[O-] ZINC000619961722 349298680 /nfs/dbraw/zinc/29/86/80/349298680.db2.gz FTIGMDVKNHYUNG-UNXYVOJBSA-N -1 3 295.354 3.047 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2cc(Cl)ccc2F)n1 ZINC000352036227 219299163 /nfs/dbraw/zinc/29/91/63/219299163.db2.gz YFFGSHIWUMVQDA-GORDUTHDSA-N -1 3 264.687 3.454 20 0 CGADHM CCCCC[C@H]1CCCCN1C(=O)c1csc(=O)[n-]1 ZINC000620564864 349383290 /nfs/dbraw/zinc/38/32/90/349383290.db2.gz GWUXSJKHEPHSRJ-NSHDSACASA-N -1 3 282.409 3.424 20 0 CGADHM O=C([N-]c1nc(C2CC2)cs1)c1ocnc1C(F)F ZINC000624530696 350060513 /nfs/dbraw/zinc/06/05/13/350060513.db2.gz SEIVJLCGSZOSJY-UHFFFAOYSA-N -1 3 285.275 3.198 20 0 CGADHM CN(Cc1cc([O-])ccc1Cl)[C@H](CO)c1ccccc1 ZINC000625140238 350132343 /nfs/dbraw/zinc/13/23/43/350132343.db2.gz RYZODRZCUOSGTM-MRXNPFEDSA-N -1 3 291.778 3.211 20 0 CGADHM Cc1ccccc1[C@H](CO)NCc1cc([O-])ccc1Cl ZINC000625321991 350158776 /nfs/dbraw/zinc/15/87/76/350158776.db2.gz RQOUTZXWLQNPKQ-INIZCTEOSA-N -1 3 291.778 3.177 20 0 CGADHM CO[C@@H]1CCN(Cc2cc([O-])ccc2Cl)[C@H](C)C1 ZINC000625392452 350168073 /nfs/dbraw/zinc/16/80/73/350168073.db2.gz FHORCWFGPMJDSN-ZWNOBZJWSA-N -1 3 269.772 3.045 20 0 CGADHM [O-]c1ccc(Cl)c(CN2CCC[C@H]2[C@@H]2CCCO2)c1 ZINC000625401859 350167499 /nfs/dbraw/zinc/16/74/99/350167499.db2.gz BZOOWZFFKCQQSA-GJZGRUSLSA-N -1 3 281.783 3.189 20 0 CGADHM CCc1ccc(C(=O)N2CCC(F)(F)[C@H](C)C2)c([O-])c1 ZINC000290903410 197855012 /nfs/dbraw/zinc/85/50/12/197855012.db2.gz LAGPWBIPBKGTJD-SNVBAGLBSA-N -1 3 283.318 3.072 20 0 CGADHM CC[C@@](C)(NC(=O)c1c(C)cccc1[O-])c1nccs1 ZINC000625755072 350207242 /nfs/dbraw/zinc/20/72/42/350207242.db2.gz SZCWIRQYJCDSAA-OAHLLOKOSA-N -1 3 290.388 3.212 20 0 CGADHM O=C(Cc1ccc([O-])cc1Cl)N1CC[C@H](CC2CC2)C1 ZINC000359738986 233369445 /nfs/dbraw/zinc/36/94/45/233369445.db2.gz YRDZUBCEUKXFJT-GFCCVEGCSA-N -1 3 293.794 3.237 20 0 CGADHM Cc1cccc(CC2CN(C(=O)c3c(C)cccc3[O-])C2)c1 ZINC000626045841 350253087 /nfs/dbraw/zinc/25/30/87/350253087.db2.gz DIZKFJNEZCBJRT-UHFFFAOYSA-N -1 3 295.382 3.324 20 0 CGADHM Cc1cccc([C@@H]2CCCN2C(=O)c2c(C)cccc2[O-])n1 ZINC000626158040 350271351 /nfs/dbraw/zinc/27/13/51/350271351.db2.gz HZUCWIRGTIJFAG-HNNXBMFYSA-N -1 3 296.370 3.381 20 0 CGADHM Cc1cccc([O-])c1C(=O)N[C@@H](C)CCc1ccc(O)cc1 ZINC000626190013 350280590 /nfs/dbraw/zinc/28/05/90/350280590.db2.gz KYQDXFFTJOJREA-ZDUSSCGKSA-N -1 3 299.370 3.157 20 0 CGADHM Cc1cccc([O-])c1NC(=O)C[C@@H](C)C(F)(F)F ZINC000626338884 350296728 /nfs/dbraw/zinc/29/67/28/350296728.db2.gz MXGYAKJGDBUGLS-MRVPVSSYSA-N -1 3 261.243 3.228 20 0 CGADHM CCC[C@H]1CCCCN1C(=O)c1c(C)cccc1[O-] ZINC000626447497 350307504 /nfs/dbraw/zinc/30/75/04/350307504.db2.gz ORZYRHRQERPRJL-ZDUSSCGKSA-N -1 3 261.365 3.495 20 0 CGADHM Cc1cccc([O-])c1C(=O)NCC[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000626963810 350348882 /nfs/dbraw/zinc/34/88/82/350348882.db2.gz DHTBXUOIXOVSMR-BTTYYORXSA-N -1 3 291.391 3.024 20 0 CGADHM Cc1cccc([O-])c1C(=O)N(C)C1CCC(F)(F)CC1 ZINC000627301086 350356146 /nfs/dbraw/zinc/35/61/46/350356146.db2.gz UMRYDNOTPMKBLA-UHFFFAOYSA-N -1 3 283.318 3.351 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CC(C)(C)[C@H]1C(C)C ZINC000627515064 350363148 /nfs/dbraw/zinc/36/31/48/350363148.db2.gz YSMPLKXUTCEIIR-CQSZACIVSA-N -1 3 261.365 3.207 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CCOc2ccccc2[C@H]1C ZINC000628169636 350420273 /nfs/dbraw/zinc/42/02/73/350420273.db2.gz GWZLRGDXIQBFFI-CYBMUJFWSA-N -1 3 297.354 3.296 20 0 CGADHM CC[C@H](C)c1cccc([N-]S(=O)(=O)C[C@H](CC)OC)c1 ZINC000629313380 350674922 /nfs/dbraw/zinc/67/49/22/350674922.db2.gz JTLYGQSGKWZHCX-WFASDCNBSA-N -1 3 299.436 3.367 20 0 CGADHM Cn1ncc2c1nc(SCCC1CCCCC1)[n-]c2=O ZINC000629218323 350670302 /nfs/dbraw/zinc/67/03/02/350670302.db2.gz LKQZOHFFYXGEDG-UHFFFAOYSA-N -1 3 292.408 3.131 20 0 CGADHM CC[C@H](C)c1cccc([N-]S(=O)(=O)C[C@@H]2CCCO2)c1 ZINC000629313782 350675087 /nfs/dbraw/zinc/67/50/87/350675087.db2.gz RLRCBGSVPGOOIB-WFASDCNBSA-N -1 3 297.420 3.121 20 0 CGADHM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCCC(F)(F)CC1 ZINC000629368423 350680805 /nfs/dbraw/zinc/68/08/05/350680805.db2.gz NNJJMHDJPSBBCO-VIFPVBQESA-N -1 3 273.279 3.160 20 0 CGADHM O=C([O-])[C@@H]1CCN(Cc2ccc(Cl)cc2)[C@@H]2CCC[C@H]21 ZINC000629372808 350681560 /nfs/dbraw/zinc/68/15/60/350681560.db2.gz IALVDAYCIICWGS-RRFJBIMHSA-N -1 3 293.794 3.415 20 0 CGADHM O=C([O-])[C@@H]1CCN(Cc2cccc(Cl)c2)[C@H]2CCC[C@@H]21 ZINC000629374598 350682138 /nfs/dbraw/zinc/68/21/38/350682138.db2.gz XUPOWERYJKKSSD-KFWWJZLASA-N -1 3 293.794 3.415 20 0 CGADHM C/C=C\C[C@H]1CCCN(Cc2cc(C)c(C(=O)[O-])o2)C1 ZINC000629375828 350683197 /nfs/dbraw/zinc/68/31/97/350683197.db2.gz NFFFZRXWSROMGI-SCOBNMCVSA-N -1 3 277.364 3.464 20 0 CGADHM C/C=C/C[C@H]1CCCN(C(=O)c2ccc(OC)cc2[O-])C1 ZINC000629878469 350784116 /nfs/dbraw/zinc/78/41/16/350784116.db2.gz NOQSOPOVTUPJOU-OOPCZODUSA-N -1 3 289.375 3.219 20 0 CGADHM C[C@@H](CN(C)C(=O)c1cc(F)c[n-]c1=O)C1CCCCC1 ZINC000630025194 350798347 /nfs/dbraw/zinc/79/83/47/350798347.db2.gz PBUSDFJOBMORQK-NSHDSACASA-N -1 3 294.370 3.215 20 0 CGADHM [O-]c1cccc(CN[C@@]23C[C@@H]2CCCC3)c1Cl ZINC000631225790 350998054 /nfs/dbraw/zinc/99/80/54/350998054.db2.gz KPJWVLFQZVOBLO-FZMZJTMJSA-N -1 3 251.757 3.468 20 0 CGADHM CCc1noc(C)c1[N-]C(=O)c1coc(SC)c1 ZINC000632108803 351167920 /nfs/dbraw/zinc/16/79/20/351167920.db2.gz WEBVNCVGGCSPJC-UHFFFAOYSA-N -1 3 266.322 3.113 20 0 CGADHM CCc1[n-]n(Cc2ccccc2N(C)C)c(=O)c1C(C)C ZINC000634595506 351532506 /nfs/dbraw/zinc/53/25/06/351532506.db2.gz DLJSBYQNSYZTCE-INIZCTEOSA-N -1 3 287.407 3.133 20 0 CGADHM C[C@H]1CCc2[n-]n(Cc3ccccc3Cl)c(=O)c21 ZINC000634597264 351533059 /nfs/dbraw/zinc/53/30/59/351533059.db2.gz GACYVQWQAIIXSR-TVQRCGJNSA-N -1 3 262.740 3.084 20 0 CGADHM CCc1[n-]n(CCc2ccc(OC)cc2)c(=O)c1C(C)C ZINC000634613329 351542463 /nfs/dbraw/zinc/54/24/63/351542463.db2.gz VPDNAEMCMYLGIR-MRXNPFEDSA-N -1 3 288.391 3.118 20 0 CGADHM CC[C@@H](C)CON=C([O-])Nc1c(F)cccc1F ZINC000291951484 198115575 /nfs/dbraw/zinc/11/55/75/198115575.db2.gz VKNJRAZRGNRXBF-MRVPVSSYSA-N -1 3 258.268 3.064 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)Nc1c(F)cccc1F ZINC000291951484 198115577 /nfs/dbraw/zinc/11/55/77/198115577.db2.gz VKNJRAZRGNRXBF-MRVPVSSYSA-N -1 3 258.268 3.064 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)Nc1cccc(N2CCCC2)c1 ZINC000291953020 198116245 /nfs/dbraw/zinc/11/62/45/198116245.db2.gz VRMUIVJGPCQRIQ-ZDUSSCGKSA-N -1 3 291.395 3.386 20 0 CGADHM Cc1ccc([O-])c(CNC2(c3cccc(F)c3)CC2)n1 ZINC000152861462 188049562 /nfs/dbraw/zinc/04/95/62/188049562.db2.gz JRRWOSLLFJDXGE-UHFFFAOYSA-N -1 3 272.323 3.014 20 0 CGADHM CC(F)(F)CCSc1n[n-]c(-c2ccccn2)n1 ZINC000450845000 535207175 /nfs/dbraw/zinc/20/71/75/535207175.db2.gz MBHDAABAAGWIHI-UHFFFAOYSA-N -1 3 270.308 3.004 20 0 CGADHM CCC[C@H]1CCCN(C(=O)c2cc(OC)ccc2[O-])C1 ZINC000155267286 188195409 /nfs/dbraw/zinc/19/54/09/188195409.db2.gz RZFXRIRDKTYWCM-LBPRGKRZSA-N -1 3 277.364 3.053 20 0 CGADHM Cc1ccc2c(c1)CC[C@H]2[N-]c1nnc(C(F)F)o1 ZINC000292547161 198328047 /nfs/dbraw/zinc/32/80/47/198328047.db2.gz RENLNGXLTPCFRZ-SNVBAGLBSA-N -1 3 265.263 3.415 20 0 CGADHM Cc1ccc(NC(=O)[N-]OCC2CC2)cc1C(F)(F)F ZINC000292713963 198385800 /nfs/dbraw/zinc/38/58/00/198385800.db2.gz ROTBECGIVDYCFH-UHFFFAOYSA-N -1 3 288.269 3.477 20 0 CGADHM CC[C@H](C)CON=C([O-])Nc1cccc(F)c1F ZINC000292745238 198396968 /nfs/dbraw/zinc/39/69/68/198396968.db2.gz WKNUBHWXSLSVSZ-QMMMGPOBSA-N -1 3 258.268 3.064 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)Nc1cccc(F)c1F ZINC000292745238 198396969 /nfs/dbraw/zinc/39/69/69/198396969.db2.gz WKNUBHWXSLSVSZ-QMMMGPOBSA-N -1 3 258.268 3.064 20 0 CGADHM O=C([O-])C1CCN([C@@H]2CCc3c2cccc3Cl)CC1 ZINC000335405480 304041957 /nfs/dbraw/zinc/04/19/57/304041957.db2.gz FKRWQNCYCKIOGG-CQSZACIVSA-N -1 3 279.767 3.124 20 0 CGADHM CC1(C)Cc2cc(NC([O-])=NOC3CCCC3)ccc2O1 ZINC000271873919 191382560 /nfs/dbraw/zinc/38/25/60/191382560.db2.gz XDMZPUZQKKGTSQ-UHFFFAOYSA-N -1 3 290.363 3.396 20 0 CGADHM CC1(C)Cc2cc(NC(=O)[N-]OC3CCCC3)ccc2O1 ZINC000271873919 191382561 /nfs/dbraw/zinc/38/25/61/191382561.db2.gz XDMZPUZQKKGTSQ-UHFFFAOYSA-N -1 3 290.363 3.396 20 0 CGADHM O=C([N-]OC1CCCC1)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000271851516 191369039 /nfs/dbraw/zinc/36/90/39/191369039.db2.gz ZYRFQAICCVKRTF-NEPJUHHUSA-N -1 3 281.302 3.059 20 0 CGADHM O=C(N[C@H]1CC12CCCC2)c1cc([O-])ccc1Cl ZINC000336356980 213206273 /nfs/dbraw/zinc/20/62/73/213206273.db2.gz KLKLFAHHWNWMJZ-LBPRGKRZSA-N -1 3 265.740 3.108 20 0 CGADHM O=C([O-])CCCN1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000172066104 304048561 /nfs/dbraw/zinc/04/85/61/304048561.db2.gz XBKWIQMXJPDFTE-CYBMUJFWSA-N -1 3 267.756 3.342 20 0 CGADHM O=C([O-])CCN1CCc2sccc2[C@H]1c1cccs1 ZINC000238164437 304053207 /nfs/dbraw/zinc/05/32/07/304053207.db2.gz PUWKPTOXSVRRBA-AWEZNQCLSA-N -1 3 293.413 3.232 20 0 CGADHM CCS[C@@H](C(=O)Nc1ccc([O-])cc1F)C(C)C ZINC000124400820 138375442 /nfs/dbraw/zinc/37/54/42/138375442.db2.gz BBFYAQQKFANFKT-GFCCVEGCSA-N -1 3 271.357 3.248 20 0 CGADHM O=C(N[C@@H]1CCCCC12CCCC2)c1csc(=O)[n-]1 ZINC000336278074 213116842 /nfs/dbraw/zinc/11/68/42/213116842.db2.gz KLUWTTIRUKITCR-LLVKDONJSA-N -1 3 280.393 3.082 20 0 CGADHM CCC[C@@H]1CCC[C@H]1C(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000294331880 199001570 /nfs/dbraw/zinc/00/15/70/199001570.db2.gz ACWMJIXPNVIPGH-VXGBXAGGSA-N -1 3 299.378 3.022 20 0 CGADHM CCC[C@@H]1CCC[C@H]1C(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000294331880 199001571 /nfs/dbraw/zinc/00/15/71/199001571.db2.gz ACWMJIXPNVIPGH-VXGBXAGGSA-N -1 3 299.378 3.022 20 0 CGADHM CCC[C@@H]1CCC[C@H]1C(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000294331880 199001573 /nfs/dbraw/zinc/00/15/73/199001573.db2.gz ACWMJIXPNVIPGH-VXGBXAGGSA-N -1 3 299.378 3.022 20 0 CGADHM CC(=O)c1cc(C(=O)[N-]c2nnc(C(C)C)s2)cs1 ZINC000294419788 199032519 /nfs/dbraw/zinc/03/25/19/199032519.db2.gz DKRNWBRVHREQDX-UHFFFAOYSA-N -1 3 295.389 3.178 20 0 CGADHM CC(C)=CC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000480742000 535371132 /nfs/dbraw/zinc/37/11/32/535371132.db2.gz VIVYXUXPQKTBPJ-UHFFFAOYSA-N -1 3 294.203 3.238 20 0 CGADHM COCc1cccc(CNCc2c(F)ccc([O-])c2F)c1 ZINC000294456647 199047173 /nfs/dbraw/zinc/04/71/73/199047173.db2.gz YQNGUOWZFDIARC-UHFFFAOYSA-N -1 3 293.313 3.107 20 0 CGADHM C[C@@H](CCCCC(=O)[O-])NCc1c(F)cccc1F ZINC000426644158 236304434 /nfs/dbraw/zinc/30/44/34/236304434.db2.gz BSUPUEAHYATYQU-JTQLQIEISA-N -1 3 271.307 3.088 20 0 CGADHM Cc1ccc(F)c(CN[C@@H](C)CCCCC(=O)[O-])c1 ZINC000426663962 236305482 /nfs/dbraw/zinc/30/54/82/236305482.db2.gz OQYIKMHUFTVCQG-LBPRGKRZSA-N -1 3 267.344 3.257 20 0 CGADHM COc1cccc([C@H](CC(=O)[O-])NCc2ccccc2C)c1 ZINC000426771502 236312603 /nfs/dbraw/zinc/31/26/03/236312603.db2.gz COTQLEIGWLIRCK-KRWDZBQOSA-N -1 3 299.370 3.309 20 0 CGADHM CCCc1nnc([N-]C(=O)c2csc(C(C)=O)c2)s1 ZINC000294649872 199122352 /nfs/dbraw/zinc/12/23/52/199122352.db2.gz QMQNFPPTPFXQSV-UHFFFAOYSA-N -1 3 295.389 3.007 20 0 CGADHM Cc1ccc(C(=O)NCCCc2ccccc2)c([O-])c1C ZINC000436624665 237145329 /nfs/dbraw/zinc/14/53/29/237145329.db2.gz KQAOGFDQCHJCNE-UHFFFAOYSA-N -1 3 283.371 3.372 20 0 CGADHM Cc1ccc(C(=O)N[C@@H]2C[C@@H]2c2cccc(F)c2)c([O-])c1 ZINC000436531333 237122170 /nfs/dbraw/zinc/12/21/70/237122170.db2.gz HDUANWAJBPALLV-HUUCEWRRSA-N -1 3 285.318 3.126 20 0 CGADHM Cc1ccc(NC(=O)c2ccc(C)c(C)c2[O-])c(C)n1 ZINC000436581256 237137746 /nfs/dbraw/zinc/13/77/46/237137746.db2.gz AHYPNLWPQDEYHJ-UHFFFAOYSA-N -1 3 270.332 3.273 20 0 CGADHM COc1cccc2c1CC[C@@H]2NC(=O)c1ccc(C)cc1[O-] ZINC000436584990 237138979 /nfs/dbraw/zinc/13/89/79/237138979.db2.gz KVZHRGIYKICXQT-HNNXBMFYSA-N -1 3 297.354 3.127 20 0 CGADHM Cc1ccc(C(=O)NC[C@@H]2CCCCS2)c([O-])c1C ZINC000436828894 237190168 /nfs/dbraw/zinc/19/01/68/237190168.db2.gz JSMBIWHQFLWNBJ-LBPRGKRZSA-N -1 3 279.405 3.025 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CC[C@H](C)C3(CCC3)C2)c1 ZINC000436711649 237162189 /nfs/dbraw/zinc/16/21/89/237162189.db2.gz AZGLHSMLPGUMEK-ZDUSSCGKSA-N -1 3 273.376 3.353 20 0 CGADHM O=C(NCC1CC(c2ccccc2)C1)c1ccc(O)cc1[O-] ZINC000436702862 237162658 /nfs/dbraw/zinc/16/26/58/237162658.db2.gz JVOQBFXMQQHWIG-UHFFFAOYSA-N -1 3 297.354 3.021 20 0 CGADHM Cc1cc(C(=O)N2C[C@H](C)[C@@H]3CCCC[C@@H]32)ccc1[O-] ZINC000436740845 237170156 /nfs/dbraw/zinc/17/01/56/237170156.db2.gz RPFAFTDBOYLSPT-QEJZJMRPSA-N -1 3 273.376 3.351 20 0 CGADHM CO[C@@](C)(c1noc(-c2cc(C)ccc2[O-])n1)C1CC1 ZINC000436956399 237220561 /nfs/dbraw/zinc/22/05/61/237220561.db2.gz QYSRDZZDCNTELD-OAHLLOKOSA-N -1 3 274.320 3.022 20 0 CGADHM Cc1cc(C(=O)N2[C@H](C)C[C@H]3CCCC[C@H]32)ccc1[O-] ZINC000436899476 237203025 /nfs/dbraw/zinc/20/30/25/237203025.db2.gz DGMDDZDEASXVGB-UMVBOHGHSA-N -1 3 273.376 3.494 20 0 CGADHM Cc1ccc([O-])c(-c2nc(-c3ccc(N(C)C)cc3)no2)c1 ZINC000436889464 237205801 /nfs/dbraw/zinc/20/58/01/237205801.db2.gz BZDJODLIIKBYEF-UHFFFAOYSA-N -1 3 295.342 3.484 20 0 CGADHM Cc1ccc([O-])c(-c2nc(-c3ccc4nc[nH]c4c3)no2)c1 ZINC000436939150 237217643 /nfs/dbraw/zinc/21/76/43/237217643.db2.gz MSRNCVLIRZIANO-UHFFFAOYSA-N -1 3 292.298 3.294 20 0 CGADHM Cc1ccc(C(=O)Nc2cc3c[nH]nc3cc2C)c([O-])c1C ZINC000436999079 237231956 /nfs/dbraw/zinc/23/19/56/237231956.db2.gz DULCUAZMHGVCQR-UHFFFAOYSA-N -1 3 295.342 3.446 20 0 CGADHM COc1ccc2cc(NC(=O)[N-]OCC3CC3)ccc2c1 ZINC000297069305 200077452 /nfs/dbraw/zinc/07/74/52/200077452.db2.gz OFEPSSMZBYNJNC-UHFFFAOYSA-N -1 3 286.331 3.312 20 0 CGADHM O=C([N-]c1cccc2ocnc21)c1c(F)cc(F)cc1F ZINC000341640664 216046642 /nfs/dbraw/zinc/04/66/42/216046642.db2.gz USPQBFPRRJPHSJ-UHFFFAOYSA-N -1 3 292.216 3.497 20 0 CGADHM O=C([N-]OCC1CC1)Nc1ccc(-c2ccccn2)cc1 ZINC000297458900 200197807 /nfs/dbraw/zinc/19/78/07/200197807.db2.gz RFIGRLRQSHEYKR-UHFFFAOYSA-N -1 3 283.331 3.212 20 0 CGADHM C[C@@H](C1CC1)n1cc(NCc2c(F)ccc([O-])c2F)cn1 ZINC000352974313 219767260 /nfs/dbraw/zinc/76/72/60/219767260.db2.gz DFIRZFRLAOYYPL-VIFPVBQESA-N -1 3 293.317 3.450 20 0 CGADHM Cc1cccc([O-])c1NC(=O)[C@H]1Cc2cc(C)c(C)cc2O1 ZINC000179542289 189200825 /nfs/dbraw/zinc/20/08/25/189200825.db2.gz BZFJUQHTPVKUKJ-MRXNPFEDSA-N -1 3 297.354 3.260 20 0 CGADHM Cc1nc(CC(C)C)c(C(=O)Nc2ncccc2[O-])s1 ZINC000180997817 189285909 /nfs/dbraw/zinc/28/59/09/189285909.db2.gz JPSFSUYAXBNTGZ-UHFFFAOYSA-N -1 3 291.376 3.003 20 0 CGADHM O=C(c1cccc([O-])c1)N(CCc1cccc(F)c1)C1CC1 ZINC000182446827 189324182 /nfs/dbraw/zinc/32/41/82/189324182.db2.gz HXWRZMZXFNXGHT-UHFFFAOYSA-N -1 3 299.345 3.379 20 0 CGADHM CC(C)Cn1cc(C(=O)Nc2ccc(Cl)cc2[O-])cn1 ZINC000183317923 189354523 /nfs/dbraw/zinc/35/45/23/189354523.db2.gz WBVFPKISANOVGA-UHFFFAOYSA-N -1 3 293.754 3.150 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)c2cccc(CO)c2)c1[O-] ZINC000336367730 213219234 /nfs/dbraw/zinc/21/92/34/213219234.db2.gz CIFKLPFGAIFLNB-UHFFFAOYSA-N -1 3 291.734 3.099 20 0 CGADHM CC[C@H](C)n1nc([N-]c2nccc(C(F)(F)F)n2)cc1C ZINC000342793533 216538399 /nfs/dbraw/zinc/53/83/99/216538399.db2.gz VGJFNFYAVSYOJE-QMMMGPOBSA-N -1 3 299.300 3.137 20 0 CGADHM CCC[C@H](OC)C(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000450937819 240159853 /nfs/dbraw/zinc/15/98/53/240159853.db2.gz OPPJISYZOAMFGO-FZMZJTMJSA-N -1 3 277.364 3.048 20 0 CGADHM [O-]c1ccc(Cc2nc(C3CCCC3)no2)cc1F ZINC000335573621 212283990 /nfs/dbraw/zinc/28/39/90/212283990.db2.gz AFQVJWTZHQBEHK-UHFFFAOYSA-N -1 3 262.284 3.163 20 0 CGADHM CCC(CC)c1noc(Cc2ccc([O-])c(F)c2)n1 ZINC000453114071 240709836 /nfs/dbraw/zinc/70/98/36/240709836.db2.gz HJPZNRDTZGPNEL-UHFFFAOYSA-N -1 3 264.300 3.409 20 0 CGADHM COc1ccc(N(CC2CC2)C(=O)c2cccc([O-])c2)cc1 ZINC000456132207 241365949 /nfs/dbraw/zinc/36/59/49/241365949.db2.gz DSJVKXFHCUSMTN-UHFFFAOYSA-N -1 3 297.354 3.458 20 0 CGADHM CC(C)[C@@H]1[C@@H](C(C)C)CN1C(=O)Cc1ccc([O-])c(F)c1 ZINC000456292198 241393923 /nfs/dbraw/zinc/39/39/23/241393923.db2.gz ORPMXQPRJGJONS-CXAGYDPISA-N -1 3 293.382 3.213 20 0 CGADHM CC(C)[C@H]1CN(C(=O)c2cccc([O-])c2)[C@H]1C(C)C ZINC000456308916 241399255 /nfs/dbraw/zinc/39/92/55/241399255.db2.gz YXIUCTIPMKFWRH-CABCVRRESA-N -1 3 261.365 3.145 20 0 CGADHM [O-]c1cccc(CNC2(C(F)F)CC2)c1Br ZINC000459544111 242127706 /nfs/dbraw/zinc/12/77/06/242127706.db2.gz NFIQXMVGMYGFBA-UHFFFAOYSA-N -1 3 292.123 3.042 20 0 CGADHM [O-]c1cccc(CN2CC[C@H]2C2CC2)c1Br ZINC000459568200 242133361 /nfs/dbraw/zinc/13/33/61/242133361.db2.gz BDFATJFHLCAEDX-NSHDSACASA-N -1 3 282.181 3.139 20 0 CGADHM [O-]c1ccc(F)c(CN2CC3(C2)CCCC3)c1F ZINC000459568505 242133556 /nfs/dbraw/zinc/13/35/56/242133556.db2.gz XCGNBZWKAXSNPN-UHFFFAOYSA-N -1 3 253.292 3.046 20 0 CGADHM [O-]c1cccc(CN2CC[C@@H]2C2CC2)c1Br ZINC000459568198 242134511 /nfs/dbraw/zinc/13/45/11/242134511.db2.gz BDFATJFHLCAEDX-LLVKDONJSA-N -1 3 282.181 3.139 20 0 CGADHM C[C@@H]1C[C@H](C)N(Cc2cc(=O)[n-]c(-c3ccccc3)n2)C1 ZINC000459349527 242085694 /nfs/dbraw/zinc/08/56/94/242085694.db2.gz XOGPZUIBBSIBNV-OLZOCXBDSA-N -1 3 283.375 3.080 20 0 CGADHM C[C@@H]1CC[N@H+](Cc2cc(=O)[n-]c(-c3ccccc3)n2)[C@@H]1C ZINC000459350556 242086701 /nfs/dbraw/zinc/08/67/01/242086701.db2.gz GBPFYBVJMZMECW-CHWSQXEVSA-N -1 3 283.375 3.080 20 0 CGADHM C[C@@H]1CCN(Cc2cc(=O)[n-]c(-c3ccccc3)n2)[C@@H]1C ZINC000459350556 242086708 /nfs/dbraw/zinc/08/67/08/242086708.db2.gz GBPFYBVJMZMECW-CHWSQXEVSA-N -1 3 283.375 3.080 20 0 CGADHM CC(C)c1ncc(C(=O)NCc2ccc([O-])c(F)c2)s1 ZINC000121776565 370894111 /nfs/dbraw/zinc/89/41/11/370894111.db2.gz HEVBXYJVWPFTEB-UHFFFAOYSA-N -1 3 294.351 3.041 20 0 CGADHM C[C@H]1CC[C@@H](CNCc2c(F)ccc([O-])c2F)C1 ZINC000353269805 220000138 /nfs/dbraw/zinc/00/01/38/220000138.db2.gz VRBZIIRGPFCWEK-VHSXEESVSA-N -1 3 255.308 3.196 20 0 CGADHM Cc1ccc(NC(=O)c2c[n-]nc2-c2ccc(F)cc2)nc1 ZINC000010429921 368581099 /nfs/dbraw/zinc/58/10/99/368581099.db2.gz WLYKANUSSLZDLN-UHFFFAOYSA-N -1 3 296.305 3.172 20 0 CGADHM O=C(c1ccccc1[O-])N1CC[C@@H](c2ccccc2)C1 ZINC000011639224 368593092 /nfs/dbraw/zinc/59/30/92/368593092.db2.gz QGPNLCPNDAFOFG-CQSZACIVSA-N -1 3 267.328 3.022 20 0 CGADHM CCc1csc(NC(=O)c2ccc([O-])c(CC)c2)n1 ZINC000486363789 243360808 /nfs/dbraw/zinc/36/08/08/243360808.db2.gz HRJVHZLMQDYTRG-UHFFFAOYSA-N -1 3 276.361 3.226 20 0 CGADHM CCCCc1nnc([N-]C(=O)c2ccc(C)o2)s1 ZINC000023358009 368819737 /nfs/dbraw/zinc/81/97/37/368819737.db2.gz DYNDWHWGOPMVMZ-UHFFFAOYSA-N -1 3 265.338 3.034 20 0 CGADHM [O-]c1ccc(-c2noc(Cc3ccc(F)cc3)n2)cc1 ZINC000034956130 368981755 /nfs/dbraw/zinc/98/17/55/368981755.db2.gz KZJAKLRSJIUSGN-UHFFFAOYSA-N -1 3 270.263 3.172 20 0 CGADHM CC(C)CC[C@H](C)NC(=O)c1c[n-]c2ccccc2c1=O ZINC000032951435 368953951 /nfs/dbraw/zinc/95/39/51/368953951.db2.gz MXTWUNRGJWUYNN-LBPRGKRZSA-N -1 3 286.375 3.083 20 0 CGADHM O=C(/C=C\SCc1ccco1)[N-]OC1CCCCC1 ZINC000492717103 244011205 /nfs/dbraw/zinc/01/12/05/244011205.db2.gz GWUIFNWTAJBEGZ-NTMALXAHSA-N -1 3 281.377 3.407 20 0 CGADHM O=C(/C=C\c1ccc(C2CC2)cc1)[N-]O[C@@H]1CCCCO1 ZINC000493063840 244089229 /nfs/dbraw/zinc/08/92/29/244089229.db2.gz MULKWOCXXOTAPC-ACAQERRYSA-N -1 3 287.359 3.152 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)/C=C\SCc1ccco1 ZINC000493285196 244132694 /nfs/dbraw/zinc/13/26/94/244132694.db2.gz FSZALNHNOGIFRM-JYKYSHPRSA-N -1 3 269.366 3.120 20 0 CGADHM CCc1ccc(C(=O)N([C@H](C)C2CC2)C2CC2)c([O-])c1 ZINC000276057719 193200838 /nfs/dbraw/zinc/20/08/38/193200838.db2.gz KFLQZFHSSYCLTG-LLVKDONJSA-N -1 3 273.376 3.358 20 0 CGADHM Cc1ccc(NC(=O)[C@H](C)Oc2cccc(F)c2)c([O-])c1 ZINC000045298195 369279021 /nfs/dbraw/zinc/27/90/21/369279021.db2.gz FHUOIHMNSIUFNC-NSHDSACASA-N -1 3 289.306 3.246 20 0 CGADHM Cc1cc([N-]C(=O)[C@@H](C)Nc2ccc(Cl)c(F)c2)on1 ZINC000048674535 369365193 /nfs/dbraw/zinc/36/51/93/369365193.db2.gz CWICSADMSQTMHL-MRVPVSSYSA-N -1 3 297.717 3.215 20 0 CGADHM Cc1cc([N-]C(=O)[C@H](C)Nc2ccc(Cl)c(F)c2)on1 ZINC000048674536 369365250 /nfs/dbraw/zinc/36/52/50/369365250.db2.gz CWICSADMSQTMHL-QMMMGPOBSA-N -1 3 297.717 3.215 20 0 CGADHM O=C([O-])CC1CCN(Cc2cccc(Cl)c2)CC1 ZINC000049859623 369419238 /nfs/dbraw/zinc/41/92/38/369419238.db2.gz KDUSMTSEOGTDFB-UHFFFAOYSA-N -1 3 267.756 3.027 20 0 CGADHM COc1ccsc1C(=O)N1CCCc2cccc([O-])c21 ZINC000128848047 370965056 /nfs/dbraw/zinc/96/50/56/370965056.db2.gz ZBAFGEIUCLDXSK-UHFFFAOYSA-N -1 3 289.356 3.055 20 0 CGADHM C[C@@H](c1ccccc1F)N(C)C(=O)c1cccc([O-])c1 ZINC000062017871 369614966 /nfs/dbraw/zinc/61/49/66/369614966.db2.gz QUCZFTYAXUBWJN-NSHDSACASA-N -1 3 273.307 3.365 20 0 CGADHM O=C(Cc1coc(-c2ccccc2)n1)Nc1ccccc1[O-] ZINC000073138865 369851027 /nfs/dbraw/zinc/85/10/27/369851027.db2.gz ZWXQVDCJWOPLPB-UHFFFAOYSA-N -1 3 294.310 3.228 20 0 CGADHM C[C@@H](c1ccc(F)cc1)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000086810000 370023646 /nfs/dbraw/zinc/02/36/46/370023646.db2.gz KMZACFAVNOOZLS-QWHCGFSZSA-N -1 3 279.355 3.464 20 0 CGADHM CC(C)C[C@@H](C)OCCC(=O)Nc1ccccc1[O-] ZINC000088281122 370032921 /nfs/dbraw/zinc/03/29/21/370032921.db2.gz FXYHRLJDMJPZAE-GFCCVEGCSA-N -1 3 265.353 3.172 20 0 CGADHM CC1(C)C(C(=O)N2CCCc3cccc([O-])c32)C1(C)C ZINC000091492366 370074770 /nfs/dbraw/zinc/07/47/70/370074770.db2.gz CZOIOUPJFWRADH-UHFFFAOYSA-N -1 3 273.376 3.354 20 0 CGADHM O=C(CC[C@@H]1CCCCO1)Nc1cc(Cl)ccc1[O-] ZINC000111577652 370401503 /nfs/dbraw/zinc/40/15/03/370401503.db2.gz CYAGGEWVNLWUIJ-NSHDSACASA-N -1 3 283.755 3.333 20 0 CGADHM C[C@](O)(CNCc1c(F)ccc([O-])c1F)C1CCCCC1 ZINC000513183985 245068860 /nfs/dbraw/zinc/06/88/60/245068860.db2.gz OLIIJKFKQSTZGE-INIZCTEOSA-N -1 3 299.361 3.091 20 0 CGADHM C[C@@H](CC1CCCC1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000114315592 370496816 /nfs/dbraw/zinc/49/68/16/370496816.db2.gz ZWUYQEVSCACMHK-NSHDSACASA-N -1 3 299.378 3.022 20 0 CGADHM C[C@@H](CC1CCCC1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000114315592 370496821 /nfs/dbraw/zinc/49/68/21/370496821.db2.gz ZWUYQEVSCACMHK-NSHDSACASA-N -1 3 299.378 3.022 20 0 CGADHM Cc1ccc(NC(=O)c2cccnc2NC(C)C)c([O-])c1 ZINC000118760480 370625524 /nfs/dbraw/zinc/62/55/24/370625524.db2.gz HRDWBYCTZWKXDG-UHFFFAOYSA-N -1 3 285.347 3.168 20 0 CGADHM Cc1ccc(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)n1C ZINC000134196604 371310407 /nfs/dbraw/zinc/31/04/07/371310407.db2.gz XFOJKCAQHJDFQJ-UHFFFAOYSA-N -1 3 298.264 3.310 20 0 CGADHM CCN(CC(C)C)C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000135786518 371449023 /nfs/dbraw/zinc/44/90/23/371449023.db2.gz JWYSNDZNYRMMAM-UHFFFAOYSA-N -1 3 291.391 3.224 20 0 CGADHM CC(C)CCCNC(=O)Cc1ccc([O-])cc1Cl ZINC000136141079 371463148 /nfs/dbraw/zinc/46/31/48/371463148.db2.gz ZSXNAYKMYBACTF-UHFFFAOYSA-N -1 3 269.772 3.141 20 0 CGADHM Cc1ccc(O)c(NC(=O)Cc2ccc([O-])cc2Cl)c1 ZINC000136199693 371466224 /nfs/dbraw/zinc/46/62/24/371466224.db2.gz JWNBMDHNXPDLIB-UHFFFAOYSA-N -1 3 291.734 3.241 20 0 CGADHM CC(C)c1noc([N-][C@H](C)c2c(F)cncc2F)n1 ZINC000286682293 371538585 /nfs/dbraw/zinc/53/85/85/371538585.db2.gz YMVHYIZWRCXRIC-SSDOTTSWSA-N -1 3 268.267 3.039 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)Oc2ccc(Cl)cc2F)n1 ZINC000150955392 371552977 /nfs/dbraw/zinc/55/29/77/371552977.db2.gz TYXFYBWWKCMQQQ-QMMMGPOBSA-N -1 3 282.702 3.423 20 0 CGADHM Cc1noc(C)c1[C@@H](C)CC(=O)Nc1ccccc1[O-] ZINC000151314572 371591839 /nfs/dbraw/zinc/59/18/39/371591839.db2.gz MMPJDUZIRWHXOE-VIFPVBQESA-N -1 3 274.320 3.129 20 0 CGADHM CCO[N-]C(=O)Nc1cc(Cl)ccc1C(F)(F)F ZINC000287604358 371681217 /nfs/dbraw/zinc/68/12/17/371681217.db2.gz GYMROWDJYQTLJU-UHFFFAOYSA-N -1 3 282.649 3.432 20 0 CGADHM Cc1ccc(NC(=O)/C=C/c2cncc(C)c2)c([O-])c1 ZINC000153057830 371748458 /nfs/dbraw/zinc/74/84/58/371748458.db2.gz ATNJIERUOHAILW-GQCTYLIASA-N -1 3 268.316 3.056 20 0 CGADHM CCc1cc(=O)[n-]c(CSCc2ccccc2)n1 ZINC000155868630 371949866 /nfs/dbraw/zinc/94/98/66/371949866.db2.gz RNZOWWUPPMVWJI-UHFFFAOYSA-N -1 3 260.362 3.178 20 0 CGADHM CC(C)N(CCC(=O)[O-])Cc1cc(-c2ccccc2)no1 ZINC000037596302 541865531 /nfs/dbraw/zinc/86/55/31/541865531.db2.gz BFFLVCYRRUYZKQ-UHFFFAOYSA-N -1 3 288.347 3.027 20 0 CGADHM COc1ccc(C[C@@H](C)C(=O)Nc2ccccc2[O-])cc1 ZINC000157947572 372043836 /nfs/dbraw/zinc/04/38/36/372043836.db2.gz CSPPHKJKANOTKH-GFCCVEGCSA-N -1 3 285.343 3.218 20 0 CGADHM CCCC[C@@H](C)N(C)C(=O)c1cc(OC)ccc1[O-] ZINC000291252815 372148058 /nfs/dbraw/zinc/14/80/58/372148058.db2.gz MTQHIXGDCKCMNN-LLVKDONJSA-N -1 3 265.353 3.052 20 0 CGADHM O=C([N-]OCC1CC1)Nc1ccc(Cl)cc1Cl ZINC000292828997 372220485 /nfs/dbraw/zinc/22/04/85/372220485.db2.gz XQRKWZGSGMUDOK-UHFFFAOYSA-N -1 3 275.135 3.457 20 0 CGADHM [O-]c1cccc(CNC[C@H]2CCCSC2)c1Cl ZINC000292841998 372223415 /nfs/dbraw/zinc/22/34/15/372223415.db2.gz BECSMYPENPMXRT-SNVBAGLBSA-N -1 3 271.813 3.278 20 0 CGADHM CC[C@H]([N-]C(=O)C(C)(F)F)c1cc(F)ccc1F ZINC000293077623 372294901 /nfs/dbraw/zinc/29/49/01/372294901.db2.gz CRTDGGLOEKDDSE-JTQLQIEISA-N -1 3 263.234 3.187 20 0 CGADHM C[C@@H](NCc1cccc([O-])c1Cl)[C@H](O)c1ccccc1 ZINC000292986364 372268307 /nfs/dbraw/zinc/26/83/07/372268307.db2.gz NOONPDXZKSKXAS-BZNIZROVSA-N -1 3 291.778 3.257 20 0 CGADHM O=C([N-]OCC1CC1)Nc1ccnc(Oc2ccccc2)c1 ZINC000293389378 372370952 /nfs/dbraw/zinc/37/09/52/372370952.db2.gz QIMUUEDCDBSYHT-UHFFFAOYSA-N -1 3 299.330 3.337 20 0 CGADHM C[C@@H](C(=O)Nc1cc(Cl)ccc1[O-])C(C)(F)F ZINC000293506819 372397429 /nfs/dbraw/zinc/39/74/29/372397429.db2.gz XTYDLIDSGKPCLR-LURJTMIESA-N -1 3 263.671 3.275 20 0 CGADHM C[C@@H](CC(=O)[N-]OCCC(F)(F)F)c1cccc(F)c1 ZINC000162845491 372427654 /nfs/dbraw/zinc/42/76/54/372427654.db2.gz SMDNYTQWNKRVER-VIFPVBQESA-N -1 3 293.260 3.320 20 0 CGADHM O=C(/C=C/c1cc2ccccc2o1)[N-]OCCC(F)(F)F ZINC000162914292 372433578 /nfs/dbraw/zinc/43/35/78/372433578.db2.gz AKOCASLMZRYYBC-AATRIKPKSA-N -1 3 299.248 3.446 20 0 CGADHM O=C(/C=C/SCc1ccco1)[N-]OCCC(F)(F)F ZINC000162941536 372436852 /nfs/dbraw/zinc/43/68/52/372436852.db2.gz BCSZTBUYGGIFSD-XVNBXDOJSA-N -1 3 295.282 3.027 20 0 CGADHM COc1ccc([O-])c(C(=O)N2CCCC[C@@H]2CC(C)C)c1 ZINC000163008919 372440747 /nfs/dbraw/zinc/44/07/47/372440747.db2.gz KWBQCAYMKQRZDL-CYBMUJFWSA-N -1 3 291.391 3.442 20 0 CGADHM CCOc1cccc(CNCc2c(F)ccc([O-])c2F)c1 ZINC000293818842 372492374 /nfs/dbraw/zinc/49/23/74/372492374.db2.gz DBFBLYLOKZOPPL-UHFFFAOYSA-N -1 3 293.313 3.359 20 0 CGADHM CCc1cc(C(=O)N(C)Cc2occc2C)ccc1[O-] ZINC000293894666 372515833 /nfs/dbraw/zinc/51/58/33/372515833.db2.gz GRJGOYKGIUZHDH-UHFFFAOYSA-N -1 3 273.332 3.128 20 0 CGADHM COc1ccc(NC(=O)c2cc([O-])ccc2Cl)c(C)n1 ZINC000433377501 372599690 /nfs/dbraw/zinc/59/96/90/372599690.db2.gz MYPPIPRSMLTXKL-UHFFFAOYSA-N -1 3 292.722 3.010 20 0 CGADHM Cc1cc([N-]C(=O)[C@@H](C)Nc2cccc(C(F)F)c2)on1 ZINC000171120410 372714882 /nfs/dbraw/zinc/71/48/82/372714882.db2.gz UZMZSPQZKVEAJF-SECBINFHSA-N -1 3 295.289 3.360 20 0 CGADHM CC[C@@H]1C[C@H]1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000435644740 372789149 /nfs/dbraw/zinc/78/91/49/372789149.db2.gz JWRWJTJSZUPBTA-RDDDGLTNSA-N -1 3 294.203 3.070 20 0 CGADHM COC[C@]1(C)CCN(C(=O)c2ccc(C(C)C)cc2[O-])C1 ZINC000295494147 372802045 /nfs/dbraw/zinc/80/20/45/372802045.db2.gz OTOLFZRATNYIKB-QGZVFWFLSA-N -1 3 291.391 3.014 20 0 CGADHM CC(C)O[N-]C(=O)CCCc1cccc(C(F)(F)F)c1 ZINC000295771900 372905630 /nfs/dbraw/zinc/90/56/30/372905630.db2.gz WZXPDCNVBGXGFN-UHFFFAOYSA-N -1 3 289.297 3.484 20 0 CGADHM COc1cccc(C(=O)N2CCC[C@@]2(C)CC(C)C)c1[O-] ZINC000295822024 372922961 /nfs/dbraw/zinc/92/29/61/372922961.db2.gz PTJJRXDSBMKMQF-KRWDZBQOSA-N -1 3 291.391 3.442 20 0 CGADHM COc1cc(C(=O)N2CCC[C@]2(C)CC(C)C)ccc1[O-] ZINC000296108605 373025544 /nfs/dbraw/zinc/02/55/44/373025544.db2.gz KWJOOTYJIKBTDL-QGZVFWFLSA-N -1 3 291.391 3.442 20 0 CGADHM [O-]c1ccc(F)c(CN2CC3(CCC3)[C@H]2C2CC2)c1F ZINC000353554249 220155654 /nfs/dbraw/zinc/15/56/54/220155654.db2.gz JDAAAXUDYONXMG-OAHLLOKOSA-N -1 3 279.330 3.435 20 0 CGADHM CC1CC([N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000353560663 220157531 /nfs/dbraw/zinc/15/75/31/220157531.db2.gz NEQXEVUHTCWJHL-UHFFFAOYSA-N -1 3 294.203 3.070 20 0 CGADHM [O-]c1ccc(F)c(CN2CC3(CCC3)[C@@H]2C2CC2)c1F ZINC000353554248 220156019 /nfs/dbraw/zinc/15/60/19/220156019.db2.gz JDAAAXUDYONXMG-HNNXBMFYSA-N -1 3 279.330 3.435 20 0 CGADHM COc1cc(NC(=O)c2ccc(C)c(C)c2[O-])ccc1F ZINC000444463030 373192615 /nfs/dbraw/zinc/19/26/15/373192615.db2.gz FUNYMWSPJRUFKC-UHFFFAOYSA-N -1 3 289.306 3.409 20 0 CGADHM Cc1cc(C(=O)N2CCC[C@@H](C(C)C)C2)ccc1[O-] ZINC000444517188 373197329 /nfs/dbraw/zinc/19/73/29/373197329.db2.gz FMVWDYGULKNXQH-CQSZACIVSA-N -1 3 261.365 3.209 20 0 CGADHM O=C([N-]c1ccncc1F)c1coc(-c2ccccc2)n1 ZINC000123124750 284383618 /nfs/dbraw/zinc/38/36/18/284383618.db2.gz MGEAGIXWESYJOU-UHFFFAOYSA-N -1 3 283.262 3.128 20 0 CGADHM COc1ccc([O-])c(C(=O)N2C[C@H](C)[C@@H]2c2ccccc2)c1 ZINC000175152227 373419490 /nfs/dbraw/zinc/41/94/90/373419490.db2.gz MYTMNJVETZHEOV-YVEFUNNKSA-N -1 3 297.354 3.234 20 0 CGADHM CC(C)[C@H](C)N(C)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000299042871 373451208 /nfs/dbraw/zinc/45/12/08/373451208.db2.gz DAYMNGBMERXNSY-NSHDSACASA-N -1 3 272.348 3.057 20 0 CGADHM Cc1cccc(C(=O)N2CCS[C@@H]3CCCC[C@H]32)c1[O-] ZINC000175402745 373463356 /nfs/dbraw/zinc/46/33/56/373463356.db2.gz SQHWOJBIBQRFCK-ZIAGYGMSSA-N -1 3 291.416 3.201 20 0 CGADHM Cc1cc(C)cc(CN(C)[C@@H](C)c2nc(C)cc(=O)[n-]2)c1 ZINC000447879470 373513876 /nfs/dbraw/zinc/51/38/76/373513876.db2.gz QRKXSLYMUSYAPA-AWEZNQCLSA-N -1 3 285.391 3.300 20 0 CGADHM Cc1occc1CN(C)C(=O)Cc1ccc([O-])cc1Cl ZINC000178123405 373747157 /nfs/dbraw/zinc/74/71/57/373747157.db2.gz FNZREALGKMNPQE-UHFFFAOYSA-N -1 3 293.750 3.148 20 0 CGADHM CCc1cc(=O)[n-]c(-c2ccc(N3CC[C@H](C)[C@H]3C)nc2)n1 ZINC000301503416 373782348 /nfs/dbraw/zinc/78/23/48/373782348.db2.gz YLKFKSRXXRVZGZ-NWDGAFQWSA-N -1 3 298.390 3.041 20 0 CGADHM Cc1cccc([O-])c1NC(=O)CCOc1ccccc1F ZINC000179546098 373886082 /nfs/dbraw/zinc/88/60/82/373886082.db2.gz ZNWJEFLHQVTWOV-UHFFFAOYSA-N -1 3 289.306 3.247 20 0 CGADHM CC[C@H](NCc1cnc(C)[n-]c1=O)c1cccc(C)c1 ZINC000353666940 220240085 /nfs/dbraw/zinc/24/00/85/220240085.db2.gz ATZCAAFJFGGIFX-HNNXBMFYSA-N -1 3 271.364 3.040 20 0 CGADHM Cc1ccc(C[C@H](C)NC(=O)c2ccccc2[O-])c(C)c1 ZINC000303377005 374016185 /nfs/dbraw/zinc/01/61/85/374016185.db2.gz LPGBTHPYDIFWDM-AWEZNQCLSA-N -1 3 283.371 3.370 20 0 CGADHM C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)Cc1ccc([O-])c(F)c1 ZINC000449911448 373968419 /nfs/dbraw/zinc/96/84/19/373968419.db2.gz BFWOABPYBFDBAP-CDMJZVDBSA-N -1 3 279.355 3.015 20 0 CGADHM CCOc1cccc(CN=c2[n-]c(C(C)=O)c(C)s2)c1 ZINC000450252490 374022399 /nfs/dbraw/zinc/02/23/99/374022399.db2.gz IPAKQUFYQLAHKM-UHFFFAOYSA-N -1 3 290.388 3.087 20 0 CGADHM CSCCCCC(=O)Nc1ccc([O-])cc1F ZINC000180862275 374055305 /nfs/dbraw/zinc/05/53/05/374055305.db2.gz MBMXKBLJSNQKAC-UHFFFAOYSA-N -1 3 257.330 3.003 20 0 CGADHM CC[C@H](Sc1ccccc1)C(=O)Nc1ncccc1[O-] ZINC000181002361 374068061 /nfs/dbraw/zinc/06/80/61/374068061.db2.gz GUFBKSHQODWVPK-ZDUSSCGKSA-N -1 3 288.372 3.297 20 0 CGADHM COc1ccc(C(=O)N2CC[C@@H](CC(C)(C)C)C2)c([O-])c1 ZINC000307779872 374153247 /nfs/dbraw/zinc/15/32/47/374153247.db2.gz SEDRHTNADWFPDM-LBPRGKRZSA-N -1 3 291.391 3.299 20 0 CGADHM C[C@@H](CCC(=O)[O-])NCc1ccc(Cl)cc1Cl ZINC000309810923 374199733 /nfs/dbraw/zinc/19/97/33/374199733.db2.gz WJQNEBYNWWRVKE-QMMMGPOBSA-N -1 3 276.163 3.336 20 0 CGADHM O=C(Nc1cccc(-c2cnco2)c1)c1cccc([O-])c1 ZINC000182143583 374224795 /nfs/dbraw/zinc/22/47/95/374224795.db2.gz DRIUVDMZEAHTNX-UHFFFAOYSA-N -1 3 280.283 3.300 20 0 CGADHM O=C(Nc1ccc(OC2CCCC2)nc1)c1cccc([O-])c1 ZINC000182304446 374255524 /nfs/dbraw/zinc/25/55/24/374255524.db2.gz IEJZCBKVRPRLOF-UHFFFAOYSA-N -1 3 298.342 3.361 20 0 CGADHM Cc1ccc(C[C@H](C)N(C)C(=O)c2cccc([O-])c2)cc1 ZINC000182483424 374279800 /nfs/dbraw/zinc/27/98/00/374279800.db2.gz LGLKOLUWDVEGEC-AWEZNQCLSA-N -1 3 283.371 3.404 20 0 CGADHM CC1(C)[C@H](C(F)(F)F)CCN1C(=O)c1cccc([O-])c1 ZINC000312707570 374291114 /nfs/dbraw/zinc/29/11/14/374291114.db2.gz SJMQXHYFEGSSKH-LLVKDONJSA-N -1 3 287.281 3.195 20 0 CGADHM COCc1ccc(CN(C)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000315599518 374331076 /nfs/dbraw/zinc/33/10/76/374331076.db2.gz AWEVPMBBTLPTNJ-UHFFFAOYSA-N -1 3 299.370 3.163 20 0 CGADHM CC[C@@H](C)C(=O)Nc1ccc(Br)cc1[O-] ZINC000078829098 541918637 /nfs/dbraw/zinc/91/86/37/541918637.db2.gz LDCVGVRRHGLEMN-SSDOTTSWSA-N -1 3 272.142 3.139 20 0 CGADHM Cc1cccc([O-])c1NC(=O)Cc1cc(F)c(F)cc1F ZINC000183014857 374356257 /nfs/dbraw/zinc/35/62/57/374356257.db2.gz VHLBUMHRBDJEJL-UHFFFAOYSA-N -1 3 295.260 3.299 20 0 CGADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CC[C@@H](F)C1 ZINC000452369375 374349056 /nfs/dbraw/zinc/34/90/56/374349056.db2.gz GEELDUPABBESRC-OAHLLOKOSA-N -1 3 299.345 3.167 20 0 CGADHM C[C@@H](Cc1ccccc1)C(=O)Nc1ccc([O-])cc1F ZINC000183253803 374393260 /nfs/dbraw/zinc/39/32/60/374393260.db2.gz GOJJKJJJDNEFLM-NSHDSACASA-N -1 3 273.307 3.349 20 0 CGADHM C[C@H](c1ccc(F)c(F)c1)N1CCC(C)(C(=O)[O-])CC1 ZINC000086776503 541941028 /nfs/dbraw/zinc/94/10/28/541941028.db2.gz IEYITWLWLBMNHQ-SNVBAGLBSA-N -1 3 283.318 3.213 20 0 CGADHM Cc1cccc(C(=O)N2CCc3c2cccc3F)c1[O-] ZINC000183747973 374451351 /nfs/dbraw/zinc/45/13/51/374451351.db2.gz QTNQMGDMOUQMIP-UHFFFAOYSA-N -1 3 271.291 3.043 20 0 CGADHM Cc1ccc(C(=O)N2C[C@@H](C(C)C)[C@@H]2C(C)C)c([O-])c1 ZINC000456358147 374524469 /nfs/dbraw/zinc/52/44/69/374524469.db2.gz YGUDTCLHNGLBRR-HOCLYGCPSA-N -1 3 275.392 3.453 20 0 CGADHM Cc1nc(C)c(C(=O)Nc2cc(Cl)ccc2[O-])nc1C ZINC000184763566 374556724 /nfs/dbraw/zinc/55/67/24/374556724.db2.gz DFKQUALIEXTBNX-UHFFFAOYSA-N -1 3 291.738 3.013 20 0 CGADHM CCC1CCN(C(=O)c2c[n-]c3c(C)cccc3c2=O)CC1 ZINC000332541484 374579880 /nfs/dbraw/zinc/57/98/80/374579880.db2.gz XXDIINBGHIZGAP-UHFFFAOYSA-N -1 3 298.386 3.099 20 0 CGADHM [O-]c1ccc(F)c(CN2CCC[C@H]2C2CCOCC2)c1F ZINC000334211859 206198566 /nfs/dbraw/zinc/19/85/66/206198566.db2.gz HMDPJURKIULKCV-AWEZNQCLSA-N -1 3 297.345 3.061 20 0 CGADHM Cc1ccc([O-])c(C(=O)N[C@H]2CCO[C@H](CC(C)C)C2)c1 ZINC000334087890 374647531 /nfs/dbraw/zinc/64/75/31/374647531.db2.gz WRKKVEQKKQCCBE-UONOGXRCSA-N -1 3 291.391 3.024 20 0 CGADHM C[C@H]1CC[C@H](C(N)=O)CN1Cc1cccc([O-])c1Cl ZINC000334411946 374729584 /nfs/dbraw/zinc/72/95/84/374729584.db2.gz UUKGISSTHZJJNZ-ONGXEEELSA-N -1 3 282.771 3.181 20 0 CGADHM [O-]c1cc(F)cc(CN2CC[C@@H](Nc3ccccc3)C2)c1 ZINC000186204415 374814523 /nfs/dbraw/zinc/81/45/23/374814523.db2.gz NONXGZPZEKAXRD-MRXNPFEDSA-N -1 3 286.350 3.218 20 0 CGADHM O=C(c1ccc(O)cc1[O-])N1CCC[C@]2(CC=CCC2)C1 ZINC000175209623 296222789 /nfs/dbraw/zinc/22/27/89/296222789.db2.gz ZTVDBWDUIDFTPY-QGZVFWFLSA-N -1 3 287.359 3.060 20 0 CGADHM CC(C)(C(=O)Nc1ccc([O-])cc1F)C(C)(F)F ZINC000334576502 374875901 /nfs/dbraw/zinc/87/59/01/374875901.db2.gz LNJCMROALLWVLN-UHFFFAOYSA-N -1 3 261.243 3.151 20 0 CGADHM C[C@@H]1CC[C@H](C(=O)[O-])CN1Cc1cc2cc(F)ccc2o1 ZINC000334587845 374887596 /nfs/dbraw/zinc/88/75/96/374887596.db2.gz QEVNMYXGZWAXRI-MNOVXSKESA-N -1 3 291.322 3.257 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)N1CCC[C@H]1c1ccccc1 ZINC000334666063 374952648 /nfs/dbraw/zinc/95/26/48/374952648.db2.gz KTJFRQNTAMJYTF-INIZCTEOSA-N -1 3 299.345 3.438 20 0 CGADHM CC[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000465498930 374954323 /nfs/dbraw/zinc/95/43/23/374954323.db2.gz DAENMSOUIVXGCX-IUCAKERBSA-N -1 3 293.841 3.259 20 0 CGADHM O=C(c1cccc2[n-]nnc21)N1CCCC2(CCCCC2)C1 ZINC000187882097 375110637 /nfs/dbraw/zinc/11/06/37/375110637.db2.gz DTTIEFVSVQYZHD-UHFFFAOYSA-N -1 3 298.390 3.144 20 0 CGADHM O=C(c1cccc2nn[n-]c21)N1CCCC2(CCCCC2)C1 ZINC000187882097 375110641 /nfs/dbraw/zinc/11/06/41/375110641.db2.gz DTTIEFVSVQYZHD-UHFFFAOYSA-N -1 3 298.390 3.144 20 0 CGADHM O=C(c1cccc2n[n-]nc21)N1CCCC2(CCCCC2)C1 ZINC000187882097 375110648 /nfs/dbraw/zinc/11/06/48/375110648.db2.gz DTTIEFVSVQYZHD-UHFFFAOYSA-N -1 3 298.390 3.144 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)[C@H]2CC[C@H](C)C2)c1-c1ccccc1 ZINC000335086669 375119416 /nfs/dbraw/zinc/11/94/16/375119416.db2.gz PKJGPBJHKZJUCE-FZMZJTMJSA-N -1 3 283.375 3.182 20 0 CGADHM O=C(Nc1ccc(Cl)cc1[O-])C1=CCCCC1 ZINC000188643142 375246906 /nfs/dbraw/zinc/24/69/06/375246906.db2.gz VVBIOBXDXQQIMR-UHFFFAOYSA-N -1 3 251.713 3.485 20 0 CGADHM [O-]c1cccc(CN[C@@H]2CC[C@@H](F)C2)c1Br ZINC000335168187 375194538 /nfs/dbraw/zinc/19/45/38/375194538.db2.gz HJBIJCNFJQEKPV-NXEZZACHSA-N -1 3 288.160 3.135 20 0 CGADHM Cc1cccc(N(C)C(=O)c2n[n-]nc2-c2ccccc2)c1 ZINC000188869770 375284701 /nfs/dbraw/zinc/28/47/01/375284701.db2.gz RUWYKSGWRVANJI-UHFFFAOYSA-N -1 3 292.342 3.057 20 0 CGADHM COc1ccc(NC(=O)/C=C/c2ccccc2OC)c([O-])c1 ZINC000492016869 375394991 /nfs/dbraw/zinc/39/49/91/375394991.db2.gz HUXHRLJXAZDJTM-JXMROGBWSA-N -1 3 299.326 3.061 20 0 CGADHM C[C@H](N(C)C(=O)c1c[n-]c2ccccc2c1=O)C(C)(C)C ZINC000335704305 375362206 /nfs/dbraw/zinc/36/22/06/375362206.db2.gz JOJAYZHNWJGJGH-NSHDSACASA-N -1 3 286.375 3.035 20 0 CGADHM O=C(Nc1ccc(Cl)cc1[O-])[C@@H]1CCC(F)(F)C1 ZINC000335780568 375424099 /nfs/dbraw/zinc/42/40/99/375424099.db2.gz YOMCLFCFZVCEGE-SSDOTTSWSA-N -1 3 275.682 3.420 20 0 CGADHM CC(=O)c1ccc(C(=O)Nc2ccc(C)cc2[O-])c(F)c1 ZINC000335816745 375454525 /nfs/dbraw/zinc/45/45/25/375454525.db2.gz DGBCIHXQATYDFT-UHFFFAOYSA-N -1 3 287.290 3.295 20 0 CGADHM CC[C@H](C)CC(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000190120438 375479359 /nfs/dbraw/zinc/47/93/59/375479359.db2.gz PYCDBKDXKSDONT-NSHDSACASA-N -1 3 299.374 3.120 20 0 CGADHM CC(C)(C(=O)Nc1ccc(Cl)cc1[O-])c1cccnc1 ZINC000335965910 375577038 /nfs/dbraw/zinc/57/70/38/375577038.db2.gz LGHRJQIVOPRZEH-UHFFFAOYSA-N -1 3 290.750 3.357 20 0 CGADHM CC(C)c1scnc1C(=O)Nc1ccc([O-])cc1F ZINC000336015975 375620175 /nfs/dbraw/zinc/62/01/75/375620175.db2.gz HIAQWLHXLSNEOJ-UHFFFAOYSA-N -1 3 280.324 3.364 20 0 CGADHM Cc1noc(C)c1[N-]C(=O)c1cnc(C(C)(C)C)s1 ZINC000336019014 375624375 /nfs/dbraw/zinc/62/43/75/375624375.db2.gz NQNQCTOFFSJIQY-UHFFFAOYSA-N -1 3 279.365 3.298 20 0 CGADHM O=C([N-]c1cccc(Cl)c1F)c1snnc1C1CC1 ZINC000336029550 375633577 /nfs/dbraw/zinc/63/35/77/375633577.db2.gz KAGYDZWBZPKLSQ-UHFFFAOYSA-N -1 3 297.742 3.460 20 0 CGADHM CCc1ccccc1OCCC(=O)Nc1ccccc1[O-] ZINC000507765143 375723915 /nfs/dbraw/zinc/72/39/15/375723915.db2.gz BDABMQJPHHRYIU-UHFFFAOYSA-N -1 3 285.343 3.362 20 0 CGADHM O=C(CC1CC(F)(F)C1)N1CCCc2cccc([O-])c21 ZINC000336192537 375756669 /nfs/dbraw/zinc/75/66/69/375756669.db2.gz RENPSCUJQGETEU-UHFFFAOYSA-N -1 3 281.302 3.107 20 0 CGADHM O=C(N[C@@H]1CCC[C@H]1c1ccccc1)c1cccc([O-])c1 ZINC000509140989 375772582 /nfs/dbraw/zinc/77/25/82/375772582.db2.gz HBJVADTVENJBSD-DLBZAZTESA-N -1 3 281.355 3.458 20 0 CGADHM Cc1ccc([C@H](C)N(C)C(=O)c2ccc(O)cc2[O-])cc1 ZINC000193291781 375854484 /nfs/dbraw/zinc/85/44/84/375854484.db2.gz YSTKEHDMJTXTPS-LBPRGKRZSA-N -1 3 285.343 3.239 20 0 CGADHM CCc1oc(C(=O)[O-])cc1CN1CCC[C@@H](CC)C1 ZINC000520416597 375855530 /nfs/dbraw/zinc/85/55/30/375855530.db2.gz LRSURTWTFXGTAN-LLVKDONJSA-N -1 3 265.353 3.162 20 0 CGADHM O=C(c1ccc(O)cc1[O-])N1CCC[C@@H]1C1CCCCC1 ZINC000194164246 375967242 /nfs/dbraw/zinc/96/72/42/375967242.db2.gz LBEDMGMHCHUWTJ-OAHLLOKOSA-N -1 3 289.375 3.283 20 0 CGADHM C[C@@H]1CCN(C(=O)c2ccccc2[O-])[C@H]2CCCC[C@H]12 ZINC000536692053 376123463 /nfs/dbraw/zinc/12/34/63/376123463.db2.gz KBUUURJYJZZRES-NFAWXSAZSA-N -1 3 273.376 3.433 20 0 CGADHM CCc1cccc(C(=O)Nc2cccc3[nH]cnc32)c1[O-] ZINC000539858308 376343713 /nfs/dbraw/zinc/34/37/13/376343713.db2.gz CJUNPMKPNRWIIY-UHFFFAOYSA-N -1 3 281.315 3.083 20 0 CGADHM C[C@H](c1cccc(F)c1)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000226455152 376361795 /nfs/dbraw/zinc/36/17/95/376361795.db2.gz HTKNKHFGHOQHRQ-OLZOCXBDSA-N -1 3 279.355 3.464 20 0 CGADHM O=[S@](Cc1nc(C2CC2)cs1)c1cccc([O-])c1 ZINC000541762310 376477682 /nfs/dbraw/zinc/47/76/82/376477682.db2.gz LKSRPUBFKVWWRS-GOSISDBHSA-N -1 3 279.386 3.034 20 0 CGADHM CCCn1c(=O)[n-]nc1SCc1nc(C2CC2)cs1 ZINC000541286365 376434664 /nfs/dbraw/zinc/43/46/64/376434664.db2.gz HUICYYKUILLDCM-UHFFFAOYSA-N -1 3 296.421 3.020 20 0 CGADHM C[C@@H]1CC(NCc2cccc([O-])c2Cl)C[C@@H](C)O1 ZINC000334283961 206307851 /nfs/dbraw/zinc/30/78/51/206307851.db2.gz VRNYQZNNZJKIKE-NXEZZACHSA-N -1 3 269.772 3.091 20 0 CGADHM CCC1(NC(=O)c2cc([O-])ccc2Cl)CCC1 ZINC000233050486 376594551 /nfs/dbraw/zinc/59/45/51/376594551.db2.gz BQEXVTXPESYPLE-UHFFFAOYSA-N -1 3 253.729 3.108 20 0 CGADHM CCc1ccc(C(C)(C)C(=O)Nc2ncccc2[O-])cc1 ZINC000543096545 376604804 /nfs/dbraw/zinc/60/48/04/376604804.db2.gz GKATXYHVTXZGCD-UHFFFAOYSA-N -1 3 284.359 3.266 20 0 CGADHM C[C@H](NC(=O)c1cc([O-])ccc1Cl)C1CCCC1 ZINC000235505512 376643903 /nfs/dbraw/zinc/64/39/03/376643903.db2.gz IHKZVYMLPGQJEE-VIFPVBQESA-N -1 3 267.756 3.354 20 0 CGADHM Cc1ccc(NC(=O)c2cc([O-])ccc2Cl)c(O)c1 ZINC000235894307 376652829 /nfs/dbraw/zinc/65/28/29/376652829.db2.gz VLIWJSMFFISBDK-UHFFFAOYSA-N -1 3 277.707 3.312 20 0 CGADHM O=C([O-])c1cccc(CNCc2ccc(Cl)s2)c1 ZINC000236486110 376664986 /nfs/dbraw/zinc/66/49/86/376664986.db2.gz AFHAUOPMOVTBDT-UHFFFAOYSA-N -1 3 281.764 3.390 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2cnc(-c3ccccn3)s2)n1 ZINC000339116453 376688914 /nfs/dbraw/zinc/68/89/14/376688914.db2.gz QPZPFUPLQCABFJ-AATRIKPKSA-N -1 3 296.355 3.180 20 0 CGADHM COc1ccc(NC(=O)c2cccc3cc[nH]c32)c([O-])c1 ZINC000135421629 542088243 /nfs/dbraw/zinc/08/82/43/542088243.db2.gz LXCAHSSOZZPDLF-UHFFFAOYSA-N -1 3 282.299 3.134 20 0 CGADHM CCOc1ncccc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000153689775 542113857 /nfs/dbraw/zinc/11/38/57/542113857.db2.gz XAYWQJQELMEVLN-UHFFFAOYSA-N -1 3 292.722 3.092 20 0 CGADHM Cc1ccncc1N(C)C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000545242694 376802693 /nfs/dbraw/zinc/80/26/93/376802693.db2.gz HPTAOVQZMSPWRW-UHFFFAOYSA-N -1 3 296.370 3.251 20 0 CGADHM Cc1cc(C)n([C@H](C)CC(=O)Nc2ccc(C)cc2[O-])n1 ZINC000340033574 376896914 /nfs/dbraw/zinc/89/69/14/376896914.db2.gz KEVGLLRULLCMRN-CYBMUJFWSA-N -1 3 287.363 3.104 20 0 CGADHM O=C(CSC1CCCC1)Nc1ccccc1[O-] ZINC000340116595 376923108 /nfs/dbraw/zinc/92/31/08/376923108.db2.gz IFRHPAPTVGGCAU-UHFFFAOYSA-N -1 3 251.351 3.007 20 0 CGADHM CCOc1ccc(F)c([N-]C(=O)c2ccncc2F)c1F ZINC000340424272 377049697 /nfs/dbraw/zinc/04/96/97/377049697.db2.gz OFIIBJCMJOFIHC-UHFFFAOYSA-N -1 3 296.248 3.150 20 0 CGADHM CCC(=O)c1ccc(C(=O)Nc2cc(F)ccc2[O-])cc1 ZINC000340317497 376999771 /nfs/dbraw/zinc/99/97/71/376999771.db2.gz MTDVJJAZCBMQAB-UHFFFAOYSA-N -1 3 287.290 3.376 20 0 CGADHM CCc1cc(=O)[n-]c(CN2CC[C@H](c3ccccc3)[C@H]2C)n1 ZINC000246717006 377077370 /nfs/dbraw/zinc/07/73/70/377077370.db2.gz SVEHHMBIFIZZNP-CJNGLKHVSA-N -1 3 297.402 3.123 20 0 CGADHM CCc1cccc(C(=O)Nc2cccc3c2CN(C)C3)c1[O-] ZINC000560260000 377135782 /nfs/dbraw/zinc/13/57/82/377135782.db2.gz RSVGDPOHVGHWKY-UHFFFAOYSA-N -1 3 296.370 3.152 20 0 CGADHM O=C(N=c1cc2ccccn2[n-]1)c1cccc2ccccc21 ZINC000561149213 377210869 /nfs/dbraw/zinc/21/08/69/377210869.db2.gz FCZLSSNIKHCLSK-UHFFFAOYSA-N -1 3 287.322 3.162 20 0 CGADHM CCCC1CCC(N(Cc2n[nH]c(=O)[n-]2)C(C)C)CC1 ZINC000340832150 377276697 /nfs/dbraw/zinc/27/66/97/377276697.db2.gz IVBZMSDAAHTUQK-UHFFFAOYSA-N -1 3 280.416 3.080 20 0 CGADHM FC(F)(F)c1c[n-]c(=NCCOC2CCCCC2)s1 ZINC000562233758 377284640 /nfs/dbraw/zinc/28/46/40/377284640.db2.gz HHNODRCVMLNRLZ-UHFFFAOYSA-N -1 3 294.342 3.345 20 0 CGADHM CCc1cc(C(=O)N(C)Cc2ccccc2OC)ccc1[O-] ZINC000340960818 377339258 /nfs/dbraw/zinc/33/92/58/377339258.db2.gz KIMFUXYJTREADQ-UHFFFAOYSA-N -1 3 299.370 3.235 20 0 CGADHM CC(C)Sc1ccc(CN2CC[C@H](C(=O)[O-])C2)cc1 ZINC000563278188 377432135 /nfs/dbraw/zinc/43/21/35/377432135.db2.gz RQVWUULBZFNLKA-ZDUSSCGKSA-N -1 3 279.405 3.094 20 0 CGADHM C[C@@H](c1ccc(C(=O)[O-])o1)N1CC(C)(C)C[C@H]1C ZINC000563280220 377432206 /nfs/dbraw/zinc/43/22/06/377432206.db2.gz MDTPKXQTSBSONO-ZJUUUORDSA-N -1 3 251.326 3.159 20 0 CGADHM CCC(CC)n1ccc(CN([C@H](C)C(=O)[O-])C2CCC2)n1 ZINC000563456243 377470733 /nfs/dbraw/zinc/47/07/33/377470733.db2.gz UFYJRSTZPVRHLY-GFCCVEGCSA-N -1 3 293.411 3.072 20 0 CGADHM C[C@@]1(C(=O)[O-])CCCN(Cc2ccc(F)c(Cl)c2)C1 ZINC000164534734 542171779 /nfs/dbraw/zinc/17/17/79/542171779.db2.gz SPWROJWNEBPGPA-CQSZACIVSA-N -1 3 285.746 3.166 20 0 CGADHM [O-]c1ccc(-c2noc(-c3ccncc3Cl)n2)cc1 ZINC000091456600 249031617 /nfs/dbraw/zinc/03/16/17/249031617.db2.gz XBRQNEIMUROCHL-UHFFFAOYSA-N -1 3 273.679 3.158 20 0 CGADHM Cc1cc(CN2CCC(CC(=O)[O-])CC2)c(C)s1 ZINC000093682358 249039073 /nfs/dbraw/zinc/03/90/73/249039073.db2.gz JGQIEPUJSOWYAG-UHFFFAOYSA-N -1 3 267.394 3.052 20 0 CGADHM Cc1cscc1CNC(=O)c1cccc(C)c1[O-] ZINC000094879061 249043616 /nfs/dbraw/zinc/04/36/16/249043616.db2.gz ROGJVOGMFRKEQZ-UHFFFAOYSA-N -1 3 261.346 3.001 20 0 CGADHM C[C@H]1CC(NC(=O)c2c[n-]c3ccccc3c2=O)C[C@H](C)C1 ZINC000172595077 249048250 /nfs/dbraw/zinc/04/82/50/249048250.db2.gz NVGNBNVCZOPAAR-VXGBXAGGSA-N -1 3 298.386 3.083 20 0 CGADHM CC1(C)CC[C@H]1NCc1cccc([O-])c1Br ZINC000315271611 249097504 /nfs/dbraw/zinc/09/75/04/249097504.db2.gz SFKWNBZLMLFKJA-LLVKDONJSA-N -1 3 284.197 3.433 20 0 CGADHM CC1(C)CC[C@@H]1NCc1cccc([O-])c1Br ZINC000315271614 249097884 /nfs/dbraw/zinc/09/78/84/249097884.db2.gz SFKWNBZLMLFKJA-NSHDSACASA-N -1 3 284.197 3.433 20 0 CGADHM CCCn1c(=O)[n-]nc1SCc1ccc(C)c(C)c1 ZINC000428054073 249131038 /nfs/dbraw/zinc/13/10/38/249131038.db2.gz NHCPLPDEFLPADW-UHFFFAOYSA-N -1 3 277.393 3.303 20 0 CGADHM CCC(CC)N(Cc1cc(C(=O)[O-])co1)C1CC1 ZINC000517380693 249264712 /nfs/dbraw/zinc/26/47/12/249264712.db2.gz DRGSMFZXQFQELE-UHFFFAOYSA-N -1 3 251.326 3.131 20 0 CGADHM Cc1cc(C(=O)N2CC(C)(C)[C@@H]2C(C)C)ccc1[O-] ZINC000293795218 291682110 /nfs/dbraw/zinc/68/21/10/291682110.db2.gz FYDAZEHRXLXYHQ-AWEZNQCLSA-N -1 3 261.365 3.207 20 0 CGADHM COc1ccc([O-])c(C(=O)N[C@@H]2CCc3c2cccc3C)c1 ZINC000517878329 249272781 /nfs/dbraw/zinc/27/27/81/249272781.db2.gz NWECKONHBUKKRJ-MRXNPFEDSA-N -1 3 297.354 3.127 20 0 CGADHM CCC[C@@H]1C[C@H]1C(=O)N=c1[nH][n-]c(C)c1-c1ccccc1 ZINC000574334162 377650416 /nfs/dbraw/zinc/65/04/16/377650416.db2.gz YWHKKYBSDAQRNP-ZIAGYGMSSA-N -1 3 283.375 3.182 20 0 CGADHM C[C@@H](c1ccco1)N(C)CCOc1ccccc1C(=O)[O-] ZINC000574697767 377696442 /nfs/dbraw/zinc/69/64/42/377696442.db2.gz OUYUZKGYNZYBBO-LBPRGKRZSA-N -1 3 289.331 3.050 20 0 CGADHM CCCC[C@@H](C(=O)[O-])N1CCc2sc(Cl)cc2C1 ZINC000574696803 377696763 /nfs/dbraw/zinc/69/67/63/377696763.db2.gz ADPJLTGLYUYALD-JTQLQIEISA-N -1 3 287.812 3.403 20 0 CGADHM CC(C)c1noc([N-][C@@H](CCCO)c2ccccc2)n1 ZINC000265853424 190212722 /nfs/dbraw/zinc/21/27/22/190212722.db2.gz QKXNFRAJFCTOPP-ZDUSSCGKSA-N -1 3 275.352 3.119 20 0 CGADHM O=C([O-])CN(CCC(F)(F)F)Cc1ccc(Cl)cc1 ZINC000574922392 377725289 /nfs/dbraw/zinc/72/52/89/377725289.db2.gz QPMREDWQPUVZGZ-UHFFFAOYSA-N -1 3 295.688 3.179 20 0 CGADHM CN(CCCOc1ccccc1)Cc1cccc(C(=O)[O-])c1 ZINC000263483629 377941625 /nfs/dbraw/zinc/94/16/25/377941625.db2.gz OQKYEILNHTXJCD-UHFFFAOYSA-N -1 3 299.370 3.286 20 0 CGADHM C[C@H](CN(C)Cc1ccc(-c2ccc(F)cc2)o1)C(=O)[O-] ZINC000263529628 377944683 /nfs/dbraw/zinc/94/46/83/377944683.db2.gz VUNQHDOWZSXSSY-LLVKDONJSA-N -1 3 291.322 3.238 20 0 CGADHM FC(F)(F)c1csc(=NCC2(C(F)(F)F)CC2)[n-]1 ZINC000343350269 377958908 /nfs/dbraw/zinc/95/89/08/377958908.db2.gz OEYITTDQQVBJOO-UHFFFAOYSA-N -1 3 290.232 3.338 20 0 CGADHM COc1ccc(C(=O)N2CCC[C@@H]2C(C)(C)C)c([O-])c1 ZINC000264354668 377978976 /nfs/dbraw/zinc/97/89/76/377978976.db2.gz GELZEHLNFLCGQW-CQSZACIVSA-N -1 3 277.364 3.052 20 0 CGADHM CN(Cc1cccc(Cl)c1)Cc1ncccc1[O-] ZINC000577900602 378021110 /nfs/dbraw/zinc/02/11/10/378021110.db2.gz DEBGLPPEKGCEKO-UHFFFAOYSA-N -1 3 262.740 3.073 20 0 CGADHM C[C@H](c1ccccc1)[C@H](C)NCc1cc(C(=O)[O-])co1 ZINC000579245110 378143764 /nfs/dbraw/zinc/14/37/64/378143764.db2.gz FJQACYLFOOETTN-RYUDHWBXSA-N -1 3 273.332 3.260 20 0 CGADHM C[C@H](CC(=O)[O-])N(C)Cc1cccc(Cl)c1Cl ZINC000578766917 378098932 /nfs/dbraw/zinc/09/89/32/378098932.db2.gz KURULEJOXPSMQT-MRVPVSSYSA-N -1 3 276.163 3.288 20 0 CGADHM O=C([O-])c1ccccc1CN1Cc2ccccc2C2(CC2)C1 ZINC000580897367 378267419 /nfs/dbraw/zinc/26/74/19/378267419.db2.gz MVKXDGYKCNEERH-UHFFFAOYSA-N -1 3 293.366 3.432 20 0 CGADHM CO[C@]1(C)C[C@H](N(C)Cc2ccc(C(=O)[O-])s2)C1(C)C ZINC000580956255 378271763 /nfs/dbraw/zinc/27/17/63/378271763.db2.gz ZQLDCJKIDZHMDV-SWLSCSKDSA-N -1 3 297.420 3.082 20 0 CGADHM CC(C)CCc1noc(-c2cc(-c3ccco3)[n-]n2)n1 ZINC000345463163 378289727 /nfs/dbraw/zinc/28/97/27/378289727.db2.gz RNVGKIKGPZZYRV-UHFFFAOYSA-N -1 3 272.308 3.308 20 0 CGADHM CC(C)CCc1noc(-c2cc(-c3ccco3)n[n-]2)n1 ZINC000345463163 378289733 /nfs/dbraw/zinc/28/97/33/378289733.db2.gz RNVGKIKGPZZYRV-UHFFFAOYSA-N -1 3 272.308 3.308 20 0 CGADHM CC(C)c1ccc(C(=O)N(C)CCC2CC2)c([O-])c1 ZINC000269649638 378248708 /nfs/dbraw/zinc/24/87/08/378248708.db2.gz UYRYYUWSIVVSEW-UHFFFAOYSA-N -1 3 261.365 3.388 20 0 CGADHM Cc1ccccc1[C@H]1CCCN1C(=O)Cc1cncc([O-])c1 ZINC000580825309 378260793 /nfs/dbraw/zinc/26/07/93/378260793.db2.gz XJRIXRDXPRPFOM-QGZVFWFLSA-N -1 3 296.370 3.002 20 0 CGADHM C[C@@H]1CC[C@H](C(=O)Nc2ccc(Cl)cc2[O-])C1 ZINC000345570735 378312998 /nfs/dbraw/zinc/31/29/98/378312998.db2.gz RVKFEPMITOMJBN-BDAKNGLRSA-N -1 3 253.729 3.420 20 0 CGADHM CCOc1nc2ccc(C(=O)Nc3cccc(F)c3)cc2[n-]1 ZINC000345605842 378321569 /nfs/dbraw/zinc/32/15/69/378321569.db2.gz AFRAIQCDXFSCJJ-UHFFFAOYSA-N -1 3 299.305 3.353 20 0 CGADHM CCOc1nc2cc(C(=O)Nc3cccc(F)c3)ccc2[n-]1 ZINC000345605842 378321572 /nfs/dbraw/zinc/32/15/72/378321572.db2.gz AFRAIQCDXFSCJJ-UHFFFAOYSA-N -1 3 299.305 3.353 20 0 CGADHM CC[C@@H]1C[C@@H](C)CN1C(=O)c1c[n-]c2ccc(C)cc2c1=O ZINC000583744762 378343247 /nfs/dbraw/zinc/34/32/47/378343247.db2.gz XGBASEMKTGQFAI-CHWSQXEVSA-N -1 3 298.386 3.097 20 0 CGADHM CCN(CC)c1ccc(C(=O)Nc2nc(C)ccc2[O-])cc1 ZINC000345926652 378410888 /nfs/dbraw/zinc/41/08/88/378410888.db2.gz MIIIUVVYSJFRGY-UHFFFAOYSA-N -1 3 299.374 3.194 20 0 CGADHM Cc1ccc([O-])c(NC(=O)C23CC4CC(CC(C4)C2)C3)n1 ZINC000345935058 378412927 /nfs/dbraw/zinc/41/29/27/378412927.db2.gz UMBKBWYLLQKGAW-UHFFFAOYSA-N -1 3 286.375 3.251 20 0 CGADHM CC(C)Cc1ncc(CN2CCC[C@H](CC(=O)[O-])C2)s1 ZINC000584100560 378375190 /nfs/dbraw/zinc/37/51/90/378375190.db2.gz GCILLWSQNNYBND-GFCCVEGCSA-N -1 3 296.436 3.028 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2coc(-c3ccccc3)n2)n1 ZINC000345937839 378414942 /nfs/dbraw/zinc/41/49/42/378414942.db2.gz WOHKDMJOTIUOOR-UHFFFAOYSA-N -1 3 295.298 3.003 20 0 CGADHM CSc1ccc(C(=O)Nc2nc(C)ccc2[O-])cc1 ZINC000346001337 378434906 /nfs/dbraw/zinc/43/49/06/378434906.db2.gz WAPFJPTYCDQHOA-UHFFFAOYSA-N -1 3 274.345 3.070 20 0 CGADHM CC(F)(F)c1ccc(C(=O)Nc2ncccc2[O-])cc1 ZINC000346304195 378539010 /nfs/dbraw/zinc/53/90/10/378539010.db2.gz HAKRJMZUXHMXQP-UHFFFAOYSA-N -1 3 278.258 3.151 20 0 CGADHM Cc1cc(C(=O)N([C@@H](C)C2CC2)C2CC2)ccc1[O-] ZINC000272426606 378634497 /nfs/dbraw/zinc/63/44/97/378634497.db2.gz KUQPDJMAJBGAMO-NSHDSACASA-N -1 3 259.349 3.104 20 0 CGADHM O=C(c1c[n-]c2ccccc2c1=O)N1CC2(C1)CCCCC2 ZINC000272726736 378695580 /nfs/dbraw/zinc/69/55/80/378695580.db2.gz IXHYZJPJGHKPMB-UHFFFAOYSA-N -1 3 296.370 3.347 20 0 CGADHM CC[C@H](C)[C@@H](C)N(C(=O)c1cccc([O-])c1)C1CC1 ZINC000272765406 378701237 /nfs/dbraw/zinc/70/12/37/378701237.db2.gz MDGSLDIQIWSZRG-NWDGAFQWSA-N -1 3 261.365 3.431 20 0 CGADHM CC[C@@H](C)[C@@H](C)C(=O)N1CCCc2cccc([O-])c21 ZINC000272919768 378722748 /nfs/dbraw/zinc/72/27/48/378722748.db2.gz DZDPEFLJUJXHAB-VXGBXAGGSA-N -1 3 261.365 3.354 20 0 CGADHM Cc1noc([N-]C(=O)[C@@H](C)Oc2cccc(C)c2)c1C ZINC000266224605 190241469 /nfs/dbraw/zinc/24/14/69/190241469.db2.gz SAFHXHZTSBNEKG-GFCCVEGCSA-N -1 3 274.320 3.006 20 0 CGADHM CC[C@@H]1CCC[C@H](NC(=O)c2ccc([O-])c(OC)c2)C1 ZINC000276927441 379023710 /nfs/dbraw/zinc/02/37/10/379023710.db2.gz NOSGFTZVWUTVHC-YPMHNXCESA-N -1 3 277.364 3.099 20 0 CGADHM CC[C@H](Cc1ccccc1)NC(=O)c1ccc([O-])c(OC)c1 ZINC000276869501 379010610 /nfs/dbraw/zinc/01/06/10/379010610.db2.gz DQKIUYBZQLNOFL-OAHLLOKOSA-N -1 3 299.370 3.152 20 0 CGADHM O=C([N-][C@@H]1CCCc2cc(OC(F)F)ccc21)C(F)F ZINC000278666618 194092201 /nfs/dbraw/zinc/09/22/01/194092201.db2.gz NAQPSHLFXJHMRR-SNVBAGLBSA-N -1 3 291.244 3.047 20 0 CGADHM CC[C@H]1CCC[C@@H](CNCc2nc(C(=O)[O-])cs2)C1 ZINC000277387061 379147153 /nfs/dbraw/zinc/14/71/53/379147153.db2.gz RBXXUCYKHAJWHV-WDEREUQCSA-N -1 3 282.409 3.147 20 0 CGADHM O=C([O-])[C@@H]1CCCCCC[C@@H]1NCc1cccnc1Cl ZINC000277530977 379182264 /nfs/dbraw/zinc/18/22/64/379182264.db2.gz ZFIGKAJXUPNUDA-OLZOCXBDSA-N -1 3 296.798 3.248 20 0 CGADHM CCC[C@H](NC(=O)NCc1ncccc1[O-])c1ccccc1 ZINC000349222567 379195351 /nfs/dbraw/zinc/19/53/51/379195351.db2.gz ZFSMARWAXBIRNV-AWEZNQCLSA-N -1 3 299.374 3.128 20 0 CGADHM CC[C@](C)(CNCc1cccc(Cl)c1F)C(=O)[O-] ZINC000278052552 379287043 /nfs/dbraw/zinc/28/70/43/379287043.db2.gz TYBDKNWVSIYBHB-CYBMUJFWSA-N -1 3 273.735 3.070 20 0 CGADHM COc1ccc2c(c1)[C@H](C(=O)Nc1c(C)cccc1[O-])CC2 ZINC000277835206 379247501 /nfs/dbraw/zinc/24/75/01/379247501.db2.gz CRFUFPRAZISBLM-CQSZACIVSA-N -1 3 297.354 3.378 20 0 CGADHM Cc1ccc(C(C)(C)NCc2cc([O-])cc(F)c2)cn1 ZINC000349700120 379351150 /nfs/dbraw/zinc/35/11/50/379351150.db2.gz IQDQGTPXVOKQSZ-UHFFFAOYSA-N -1 3 274.339 3.260 20 0 CGADHM C[C@H]1CN(C(=O)c2cc(C(F)F)[n-]n2)c2ccccc21 ZINC000639530974 379458019 /nfs/dbraw/zinc/45/80/19/379458019.db2.gz PQKHAJQEHAWSLH-QMMMGPOBSA-N -1 3 277.274 3.111 20 0 CGADHM C[C@@H]1C[C@H]1[C@H]([N-]C(=O)C(F)F)c1ccc(Cl)cc1 ZINC000279007018 194249374 /nfs/dbraw/zinc/24/93/74/194249374.db2.gz HESMYDWIUJUJJG-AVPPRXQKSA-N -1 3 273.710 3.418 20 0 CGADHM O=C(Nc1ccc2c[nH]nc2c1)c1cc([O-])ccc1Cl ZINC000352308210 379762464 /nfs/dbraw/zinc/76/24/64/379762464.db2.gz XJSCGAWARUEQOT-UHFFFAOYSA-N -1 3 287.706 3.174 20 0 CGADHM C[C@@H]1CC[C@]2(CCN(C(=O)c3cccc([O-])c3)C2)C1 ZINC000378619475 379847823 /nfs/dbraw/zinc/84/78/23/379847823.db2.gz FEDPBQVARYDUHM-WBMJQRKESA-N -1 3 259.349 3.045 20 0 CGADHM Cc1ccc(F)c(CN2Cc3ccccc3C[C@H]2C(=O)[O-])c1 ZINC000389727570 379903154 /nfs/dbraw/zinc/90/31/54/379903154.db2.gz IYFVLMPENCMQOW-KRWDZBQOSA-N -1 3 299.345 3.146 20 0 CGADHM CC(C)COc1cccc(CNCc2ncccc2[O-])c1 ZINC000347874241 218384824 /nfs/dbraw/zinc/38/48/24/218384824.db2.gz HAZJOIJWUQMFDM-UHFFFAOYSA-N -1 3 286.375 3.112 20 0 CGADHM CN(CCc1ccccc1O)Cc1c(F)ccc([O-])c1F ZINC000352865641 380011029 /nfs/dbraw/zinc/01/10/29/380011029.db2.gz DHGBNPUEIAPTRN-UHFFFAOYSA-N -1 3 293.313 3.051 20 0 CGADHM [O-]C(=NOC1CCCC1)Nc1nc(C2CCC2)cs1 ZINC000282991812 380021759 /nfs/dbraw/zinc/02/17/59/380021759.db2.gz LIYWCPTUMGMQIL-UHFFFAOYSA-N -1 3 281.381 3.406 20 0 CGADHM O=C([N-]OC1CCCC1)Nc1nc(C2CCC2)cs1 ZINC000282991812 380021768 /nfs/dbraw/zinc/02/17/68/380021768.db2.gz LIYWCPTUMGMQIL-UHFFFAOYSA-N -1 3 281.381 3.406 20 0 CGADHM CC1(C)CCC[C@](O)(CNCc2c(F)ccc([O-])c2F)C1 ZINC000353091027 380110645 /nfs/dbraw/zinc/11/06/45/380110645.db2.gz BIVIJWZYIBPWGU-MRXNPFEDSA-N -1 3 299.361 3.091 20 0 CGADHM C[C@H](O)[C@H]1C[C@H](C)CCN1Cc1cccc([O-])c1Cl ZINC000353114919 380122139 /nfs/dbraw/zinc/12/21/39/380122139.db2.gz CXJNCHJJNUOQOR-NTZNESFSSA-N -1 3 283.799 3.027 20 0 CGADHM Cc1coc(C)c1C(=O)N1CCCc2cccc([O-])c21 ZINC000285476348 380148990 /nfs/dbraw/zinc/14/89/90/380148990.db2.gz CQMHTHQVCLRRGU-UHFFFAOYSA-N -1 3 271.316 3.195 20 0 CGADHM COCC[C@H](NC(=O)c1cc([O-])ccc1Cl)C(C)(C)C ZINC000353227743 380176852 /nfs/dbraw/zinc/17/68/52/380176852.db2.gz ANNVXNSHBOKISQ-ZDUSSCGKSA-N -1 3 299.798 3.227 20 0 CGADHM O=C([O-])CC[C@@H]1CCCN(CCc2ccccc2Cl)C1 ZINC000643056163 380209169 /nfs/dbraw/zinc/20/91/69/380209169.db2.gz XQXLTDVILSHNMC-ZDUSSCGKSA-N -1 3 295.810 3.459 20 0 CGADHM O=C(Nc1ccc(OC(F)(F)F)cc1[O-])[C@H]1CC12CC2 ZINC000643351114 380292236 /nfs/dbraw/zinc/29/22/36/380292236.db2.gz PWYUIIJORVWAEL-MRVPVSSYSA-N -1 3 287.237 3.029 20 0 CGADHM NC1(c2noc(-c3cc4ccccc4cc3[O-])n2)CCCC1 ZINC000414632268 380347193 /nfs/dbraw/zinc/34/71/93/380347193.db2.gz ZSRHRMPGYNPHHF-UHFFFAOYSA-N -1 3 295.342 3.323 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N[C@@H](C)c2c(F)cccc2F)n1 ZINC000279066997 194270837 /nfs/dbraw/zinc/27/08/37/194270837.db2.gz JOQJSDIOVBBLNA-UWVGGRQHSA-N -1 3 293.317 3.181 20 0 CGADHM CCc1ccc2occ(C(=O)Nc3ncccc3[O-])c2c1 ZINC000354618885 380504039 /nfs/dbraw/zinc/50/40/39/380504039.db2.gz USYIYCJBQHVFMJ-UHFFFAOYSA-N -1 3 282.299 3.348 20 0 CGADHM Cc1ccc(C)c(NCc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000416985087 380556607 /nfs/dbraw/zinc/55/66/07/380556607.db2.gz HWMPPNDQPRGJPY-UHFFFAOYSA-N -1 3 269.348 3.289 20 0 CGADHM Cn1ccc2ccc(NCc3cc(=O)[n-]c(C4CC4)n3)cc21 ZINC000417016577 380560587 /nfs/dbraw/zinc/56/05/87/380560587.db2.gz AOXCVHGCPVEJPC-UHFFFAOYSA-N -1 3 294.358 3.163 20 0 CGADHM C[C@@H](CCC(=O)[O-])NCc1c(Cl)oc2ccccc21 ZINC000417608044 380648060 /nfs/dbraw/zinc/64/80/60/380648060.db2.gz IDOODCUKVWVLPV-VIFPVBQESA-N -1 3 281.739 3.429 20 0 CGADHM CCc1cnc(CNC[C@@]2(CC(=O)[O-])CC[C@@H](C)C2)s1 ZINC000417565305 380640491 /nfs/dbraw/zinc/64/04/91/380640491.db2.gz LUDKBPVDMAJAMV-ABAIWWIYSA-N -1 3 296.436 3.076 20 0 CGADHM Cc1cc(F)c(CNCC[C@H](C)CC(=O)[O-])c(Cl)c1 ZINC000417567311 380640524 /nfs/dbraw/zinc/64/05/24/380640524.db2.gz ODARCYNLLIYDIT-VIFPVBQESA-N -1 3 287.762 3.378 20 0 CGADHM COc1ccc(CN[C@H](CCC(=O)[O-])c2ccccc2)cc1 ZINC000417589377 380644738 /nfs/dbraw/zinc/64/47/38/380644738.db2.gz ALGKGLQTAXHMFY-QGZVFWFLSA-N -1 3 299.370 3.391 20 0 CGADHM Cc1c2cc(F)ccc2oc1C[N-]C(=O)C(C)(F)F ZINC000288448653 197081414 /nfs/dbraw/zinc/08/14/14/197081414.db2.gz CVFQGSFUIPFGCX-UHFFFAOYSA-N -1 3 271.238 3.152 20 0 CGADHM O=C([O-])C1(CNCc2c(Cl)oc3ccccc32)CC1 ZINC000417610412 380650340 /nfs/dbraw/zinc/65/03/40/380650340.db2.gz MFZNBQSTIDNZQV-UHFFFAOYSA-N -1 3 279.723 3.041 20 0 CGADHM O=C([O-])[C@H](CC1CC1)NCc1c(Cl)oc2ccccc21 ZINC000417611825 380650558 /nfs/dbraw/zinc/65/05/58/380650558.db2.gz WLAVMNHJRHRTSC-LBPRGKRZSA-N -1 3 293.750 3.429 20 0 CGADHM Cc1ccc(CN[C@H]2C[C@H](C(=O)[O-])c3ccccc32)s1 ZINC000417615622 380652210 /nfs/dbraw/zinc/65/22/10/380652210.db2.gz GMOXYKUNCNVMFU-GJZGRUSLSA-N -1 3 287.384 3.459 20 0 CGADHM CCc1oc2ccccc2c1CN[C@H]1C=C[C@H](C(=O)[O-])C1 ZINC000417616386 380653145 /nfs/dbraw/zinc/65/31/45/380653145.db2.gz HKIYLNFNGVYYEZ-RYUDHWBXSA-N -1 3 285.343 3.114 20 0 CGADHM Cc1cc2cc(CN[C@@H]3C=C[C@@H](C(=O)[O-])C3)oc2cc1C ZINC000417620344 380655531 /nfs/dbraw/zinc/65/55/31/380655531.db2.gz LJMBJGCUIWSJCI-TZMCWYRMSA-N -1 3 285.343 3.169 20 0 CGADHM CO[C@@H](CN=c1[n-]cc(C(F)(F)F)s1)CC(C)C ZINC000418999675 380760486 /nfs/dbraw/zinc/76/04/86/380760486.db2.gz XCXHLGCDMBQKCY-MRVPVSSYSA-N -1 3 282.331 3.057 20 0 CGADHM [O-]c1cccc(CN2CCC[C@@H](c3cc[nH]n3)C2)c1Cl ZINC000646063754 380816816 /nfs/dbraw/zinc/81/68/16/380816816.db2.gz GRWKIELZWYEFGD-LLVKDONJSA-N -1 3 291.782 3.148 20 0 CGADHM CC(C)(NC(=O)c1cc([O-])ccc1Cl)C1CCC1 ZINC000334767465 207040819 /nfs/dbraw/zinc/04/08/19/207040819.db2.gz FINANZOCYJYKDZ-UHFFFAOYSA-N -1 3 267.756 3.354 20 0 CGADHM CC[C@@]1(C)CCN(C(=O)Cc2ccc([O-])cc2Cl)C1 ZINC000357424029 381153669 /nfs/dbraw/zinc/15/36/69/381153669.db2.gz OZSBBICKTMGXNP-HNNXBMFYSA-N -1 3 281.783 3.237 20 0 CGADHM C[C@@]1(NC(=O)c2cccc([O-])c2)CCCc2ccccc21 ZINC000357434514 381157623 /nfs/dbraw/zinc/15/76/23/381157623.db2.gz SDGQZRXRXMVPIP-GOSISDBHSA-N -1 3 281.355 3.374 20 0 CGADHM C[C@H]1CC[C@@H](NC(=O)c2cc([O-])ccc2C(F)(F)F)C1 ZINC000334820271 207133689 /nfs/dbraw/zinc/13/36/89/207133689.db2.gz SDKHNGHIENNAFL-DTWKUNHWSA-N -1 3 287.281 3.329 20 0 CGADHM C[C@H]1C[C@H](NCc2cccc([O-])c2Cl)CS1 ZINC000334855698 207194720 /nfs/dbraw/zinc/19/47/20/207194720.db2.gz ZZUZUCYIZGEDPV-WPRPVWTQSA-N -1 3 257.786 3.029 20 0 CGADHM Cc1ccc(-c2nnc(NC(=O)[C@@H]3CCCC3(C)C)[n-]2)o1 ZINC000361501054 381778591 /nfs/dbraw/zinc/77/85/91/381778591.db2.gz MCJXNALQTYPXRX-JTQLQIEISA-N -1 3 288.351 3.138 20 0 CGADHM Cc1ccc(-c2n[n-]c(NC(=O)[C@@H]3CCCC3(C)C)n2)o1 ZINC000361501054 381778597 /nfs/dbraw/zinc/77/85/97/381778597.db2.gz MCJXNALQTYPXRX-JTQLQIEISA-N -1 3 288.351 3.138 20 0 CGADHM Cc1ccc(-c2nc(NC(=O)[C@@H]3CCCC3(C)C)n[n-]2)o1 ZINC000361501054 381778603 /nfs/dbraw/zinc/77/86/03/381778603.db2.gz MCJXNALQTYPXRX-JTQLQIEISA-N -1 3 288.351 3.138 20 0 CGADHM CCCN(Cc1cc([O-])cc(F)c1)[C@H](CC)C(=O)OCC ZINC000361647861 381858107 /nfs/dbraw/zinc/85/81/07/381858107.db2.gz MBKKZUGHBPZFLN-OAHLLOKOSA-N -1 3 297.370 3.085 20 0 CGADHM CCc1cc(C(=O)N[C@H](C)c2nc(C)cs2)ccc1[O-] ZINC000362721879 382106270 /nfs/dbraw/zinc/10/62/70/382106270.db2.gz INGFDEUEJOCTRV-SNVBAGLBSA-N -1 3 290.388 3.211 20 0 CGADHM O=C([O-])C[C@@H](NCc1cc(F)cc(F)c1)c1cccs1 ZINC000236423007 542314694 /nfs/dbraw/zinc/31/46/94/542314694.db2.gz OYKRYWUMGPOEKL-GFCCVEGCSA-N -1 3 297.326 3.332 20 0 CGADHM O=C(N[C@@H]1CC[C@@H](F)C1)c1cc([O-])ccc1C(F)(F)F ZINC000335315635 208173946 /nfs/dbraw/zinc/17/39/46/208173946.db2.gz HIYRWRSYFYVPTO-HTQZYQBOSA-N -1 3 291.244 3.031 20 0 CGADHM NC(=O)c1ccc(F)c([N-]C(=O)c2c(F)cccc2F)c1 ZINC000335319969 208182512 /nfs/dbraw/zinc/18/25/12/208182512.db2.gz YFMJEZZPJZBLBB-UHFFFAOYSA-N -1 3 294.232 3.240 20 0 CGADHM Cc1cc(Cl)cc(CN2CC[C@@H](C)[C@@H](C(=O)[O-])C2)c1 ZINC000335442089 208463937 /nfs/dbraw/zinc/46/39/37/208463937.db2.gz HVMSBWZYFBNSCD-RISCZKNCSA-N -1 3 281.783 3.191 20 0 CGADHM C[C@@H]1CCN(C(=O)c2cc([O-])c3ccccc3c2)[C@@H]1C ZINC000280155450 542381033 /nfs/dbraw/zinc/38/10/33/542381033.db2.gz BNYIHCUOBLSBSI-VXGBXAGGSA-N -1 3 269.344 3.416 20 0 CGADHM COc1cc(C)cc(-c2nc([C@H]3CCCS3)no2)c1[O-] ZINC000274138110 542372188 /nfs/dbraw/zinc/37/21/88/542372188.db2.gz LSQVINCWZMQBDI-LLVKDONJSA-N -1 3 292.360 3.327 20 0 CGADHM c1coc(-c2cc(-c3nc([C@H]4CCCS4)no3)[n-]n2)c1 ZINC000274195037 542373213 /nfs/dbraw/zinc/37/32/13/542373213.db2.gz QWBTXJQKTYNYNX-LLVKDONJSA-N -1 3 288.332 3.288 20 0 CGADHM c1coc(-c2cc(-c3nc([C@H]4CCCS4)no3)n[n-]2)c1 ZINC000274195037 542373216 /nfs/dbraw/zinc/37/32/16/542373216.db2.gz QWBTXJQKTYNYNX-LLVKDONJSA-N -1 3 288.332 3.288 20 0 CGADHM CCC[C@@H]1CN(C(=O)c2cc([O-])c3ccccc3c2)CCO1 ZINC000281467851 542383519 /nfs/dbraw/zinc/38/35/19/542383519.db2.gz GNGNGXUJJNECCS-OAHLLOKOSA-N -1 3 299.370 3.187 20 0 CGADHM CC(C)Cc1noc(C(=O)[N-]c2ccc(Cl)c(F)c2)n1 ZINC000353828423 220352541 /nfs/dbraw/zinc/35/25/41/220352541.db2.gz XHXVFWLFIOKWCW-UHFFFAOYSA-N -1 3 297.717 3.313 20 0 CGADHM CC(F)(F)C(=O)[N-]Cc1nc2cc(Cl)ccc2s1 ZINC000288644511 197135947 /nfs/dbraw/zinc/13/59/47/197135947.db2.gz UPTRSQIVEQITGD-UHFFFAOYSA-N -1 3 290.722 3.221 20 0 CGADHM CC(C)C[C@H]1CCN(Cc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000307827450 542422761 /nfs/dbraw/zinc/42/27/61/542422761.db2.gz YAVWXIDYEANRQT-CYBMUJFWSA-N -1 3 279.355 3.392 20 0 CGADHM O=C(NC[C@H]1CC12CC2)c1cc([O-])c2ccccc2c1 ZINC000334904959 542462738 /nfs/dbraw/zinc/46/27/38/542462738.db2.gz BEYLUSHSLXQYEU-CYBMUJFWSA-N -1 3 267.328 3.075 20 0 CGADHM CN(C(=O)c1cc([O-])c2ccccc2c1)C(C)(C)C ZINC000335511184 542469448 /nfs/dbraw/zinc/46/94/48/542469448.db2.gz HWRNDSORTLFLIU-UHFFFAOYSA-N -1 3 257.333 3.416 20 0 CGADHM O=C(c1csc(=O)[n-]1)N1CCCC[C@H]1c1ccccc1 ZINC000336050340 542474031 /nfs/dbraw/zinc/47/40/31/542474031.db2.gz DCNANIBUXRPEHX-ZDUSSCGKSA-N -1 3 288.372 3.216 20 0 CGADHM Cc1cccc([N-]S(=O)(=O)c2ccccc2C)c1C ZINC000112333362 256700791 /nfs/dbraw/zinc/70/07/91/256700791.db2.gz BZOHJVNAIQDLEB-UHFFFAOYSA-N -1 3 275.373 3.413 20 0 CGADHM CC1(C)C[C@@H](c2noc(-c3ccccc3[O-])n2)CCO1 ZINC000351196055 542543606 /nfs/dbraw/zinc/54/36/06/542543606.db2.gz UOQPFNCQZDHCBU-JTQLQIEISA-N -1 3 274.320 3.115 20 0 CGADHM COc1ccc(NC(=O)c2ccc3nc(C)oc3c2)c([O-])c1 ZINC000352066021 542552364 /nfs/dbraw/zinc/55/23/64/542552364.db2.gz SMBZEEORUSGRPN-UHFFFAOYSA-N -1 3 298.298 3.103 20 0 CGADHM C[C@H]1COC(C)(C)CN1C(=O)c1cc([O-])c2ccccc2c1 ZINC000356152862 542569944 /nfs/dbraw/zinc/56/99/44/542569944.db2.gz QDYBDHZCUOFZLN-LBPRGKRZSA-N -1 3 299.370 3.185 20 0 CGADHM [O-]c1ccc(-c2noc(CCCC3CCOCC3)n2)cc1 ZINC000281793251 195383035 /nfs/dbraw/zinc/38/30/35/195383035.db2.gz HUSAWGWOVZKJFO-UHFFFAOYSA-N -1 3 288.347 3.192 20 0 CGADHM COc1cccc(C(=O)N(CC2CC2)CC2CCC2)c1[O-] ZINC000436928438 533395512 /nfs/dbraw/zinc/39/55/12/533395512.db2.gz AZNHAPIUJNDQNQ-UHFFFAOYSA-N -1 3 289.375 3.053 20 0 CGADHM COc1cccc(C(=O)N[C@H](C)[C@H](C)c2ccccc2)c1[O-] ZINC000436920157 533417676 /nfs/dbraw/zinc/41/76/76/533417676.db2.gz OBRCFWHTWFGNTM-QWHCGFSZSA-N -1 3 299.370 3.323 20 0 CGADHM Cc1ccc(C(=O)N[C@H](C)c2c(F)cccc2F)c([O-])c1 ZINC000436917856 533591088 /nfs/dbraw/zinc/59/10/88/533591088.db2.gz CGXKRQKWTZGGBH-SNVBAGLBSA-N -1 3 291.297 3.470 20 0 CGADHM Cc1ccc(CN2C[C@H](C)C[C@H](C(=O)[O-])C2)c(Cl)c1 ZINC000399073893 542620058 /nfs/dbraw/zinc/62/00/58/542620058.db2.gz RDPQEMIXFPRZMV-YPMHNXCESA-N -1 3 281.783 3.191 20 0 CGADHM COc1ccc(Cl)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000049124510 392035524 /nfs/dbraw/zinc/03/55/24/392035524.db2.gz FXCBVIMXSPPEQO-UHFFFAOYSA-N -1 3 297.763 3.149 20 0 CGADHM Cc1ccc(SCCNC(=O)c2ccccc2[O-])cc1 ZINC000071801371 392192174 /nfs/dbraw/zinc/19/21/74/392192174.db2.gz KEPDMHXSEDGIDK-UHFFFAOYSA-N -1 3 287.384 3.223 20 0 CGADHM O=S(=O)([N-]CCC1CC1)c1ccc(Cl)cc1Cl ZINC000429835915 542651953 /nfs/dbraw/zinc/65/19/53/542651953.db2.gz DJHLPOXYJPUYQT-UHFFFAOYSA-N -1 3 294.203 3.072 20 0 CGADHM c1coc(-c2cc(-c3nc(-c4ccsc4)no3)[n-]n2)c1 ZINC000109478096 392357590 /nfs/dbraw/zinc/35/75/90/392357590.db2.gz ALTANTGACGWQJG-UHFFFAOYSA-N -1 3 284.300 3.448 20 0 CGADHM c1coc(-c2cc(-c3nc(-c4ccsc4)no3)n[n-]2)c1 ZINC000109478096 392357596 /nfs/dbraw/zinc/35/75/96/392357596.db2.gz ALTANTGACGWQJG-UHFFFAOYSA-N -1 3 284.300 3.448 20 0 CGADHM COc1ccc(NC(=O)c2ccc(Cl)cc2F)c([O-])c1 ZINC000443566161 542667016 /nfs/dbraw/zinc/66/70/16/542667016.db2.gz KZXDLMCSTLYUPN-UHFFFAOYSA-N -1 3 295.697 3.446 20 0 CGADHM COc1ccc(NC(=O)c2ccc(C)c(F)c2)c([O-])c1 ZINC000443556983 542667346 /nfs/dbraw/zinc/66/73/46/542667346.db2.gz HCOKAFHCTMIIPO-UHFFFAOYSA-N -1 3 275.279 3.101 20 0 CGADHM O=C([O-])[C@H]1CC[C@H](CNCc2c(F)cccc2Cl)CC1 ZINC000253124812 131141554 /nfs/dbraw/zinc/14/15/54/131141554.db2.gz KVIMAPYHPWFBMQ-XYPYZODXSA-N -1 3 299.773 3.460 20 0 CGADHM Cc1nc(C(C)C)sc1[C@@H](C)N(C)CCC(=O)[O-] ZINC000262032139 131185071 /nfs/dbraw/zinc/18/50/71/131185071.db2.gz XFCOZNJWNCDENV-SNVBAGLBSA-N -1 3 270.398 3.042 20 0 CGADHM CCC[C@H](NCc1c(Cl)oc2ccccc21)C(=O)[O-] ZINC000262694877 131251941 /nfs/dbraw/zinc/25/19/41/131251941.db2.gz HHMPQNRJDFZZEV-NSHDSACASA-N -1 3 281.739 3.429 20 0 CGADHM Cc1ccc(NC(=O)c2cc3c(s2)CCOC3)c([O-])c1 ZINC000264031989 131382614 /nfs/dbraw/zinc/38/26/14/131382614.db2.gz MYVUBEPKZUXPSS-UHFFFAOYSA-N -1 3 289.356 3.087 20 0 CGADHM Cn1cccc1[C@@H]1CCCCCN1C(=O)c1ccccc1[O-] ZINC000123482929 392428251 /nfs/dbraw/zinc/42/82/51/392428251.db2.gz KIADXZKCWQYEGI-INIZCTEOSA-N -1 3 298.386 3.488 20 0 CGADHM CO[C@H](C(=O)Nc1ccc(Cl)cc1[O-])c1ccccc1 ZINC000153603361 392522311 /nfs/dbraw/zinc/52/23/11/392522311.db2.gz SYLZTSXMJIIUAG-AWEZNQCLSA-N -1 3 291.734 3.372 20 0 CGADHM COCCCO[N-]C(=O)Nc1cccc(C2CCC2)c1 ZINC000292056549 392497556 /nfs/dbraw/zinc/49/75/56/392497556.db2.gz NJZVWLBKZQSKOG-UHFFFAOYSA-N -1 3 278.352 3.044 20 0 CGADHM Cc1csc2ncnc(NCc3ccc([O-])c(F)c3)c12 ZINC000505760995 392695166 /nfs/dbraw/zinc/69/51/66/392695166.db2.gz AVUMXCOKFRXKPW-UHFFFAOYSA-N -1 3 289.335 3.457 20 0 CGADHM CCOc1cc(C)ccc1NC(=O)/C=C/c1cncc([O-])c1 ZINC000181901536 392737154 /nfs/dbraw/zinc/73/71/54/392737154.db2.gz GZIMHBOFAJCLQY-FNORWQNLSA-N -1 3 298.342 3.146 20 0 CGADHM C[C@@H]1CCN(C(=O)CCc2ccco2)c2c([O-])cccc21 ZINC000186300375 392783023 /nfs/dbraw/zinc/78/30/23/392783023.db2.gz FPEVBPHWJJJODG-GFCCVEGCSA-N -1 3 285.343 3.458 20 0 CGADHM CC(=O)c1cccc(NC(=O)c2csc(C)c2)c1[O-] ZINC000647711334 392787126 /nfs/dbraw/zinc/78/71/26/392787126.db2.gz YGUUKAVWNRCNHS-UHFFFAOYSA-N -1 3 275.329 3.217 20 0 CGADHM Cc1cc(C(=O)N2CC[C@H](C)c3cccc([O-])c32)co1 ZINC000189159084 392804733 /nfs/dbraw/zinc/80/47/33/392804733.db2.gz RKVCRVVCQCCMSR-JTQLQIEISA-N -1 3 271.316 3.448 20 0 CGADHM [O-]c1ccc(F)c(CNCCOC2CCCCCC2)c1F ZINC000511076801 392826345 /nfs/dbraw/zinc/82/63/45/392826345.db2.gz ZALNUIPAQDBLMM-UHFFFAOYSA-N -1 3 299.361 3.499 20 0 CGADHM [O-]c1ccc(F)c(CN[C@H]2C[C@@H]2Cc2ccccc2)c1F ZINC000511145223 392830941 /nfs/dbraw/zinc/83/09/41/392830941.db2.gz LNJXBSYETXLPRY-WFASDCNBSA-N -1 3 289.325 3.391 20 0 CGADHM O=C([N-]c1nc(C(F)(F)F)co1)c1c(F)cccc1F ZINC000648013191 392868924 /nfs/dbraw/zinc/86/89/24/392868924.db2.gz LBEDKICEESDKDP-UHFFFAOYSA-N -1 3 292.163 3.224 20 0 CGADHM CC(C)c1ccc(Cc2nc3cccnc3c(=O)[n-]2)cc1 ZINC000491596575 542718065 /nfs/dbraw/zinc/71/80/65/542718065.db2.gz LXKUBVIYGJWUSH-UHFFFAOYSA-N -1 3 279.343 3.445 20 0 CGADHM O=C(NCCCC1CC1)c1cc([O-])c2ccccc2c1 ZINC000525922238 542740659 /nfs/dbraw/zinc/74/06/59/542740659.db2.gz MBRBGOULEWCPHT-UHFFFAOYSA-N -1 3 269.344 3.465 20 0 CGADHM COc1cccnc1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000527454396 542741539 /nfs/dbraw/zinc/74/15/39/542741539.db2.gz CSQBSUSRIYEYIZ-UHFFFAOYSA-N -1 3 294.310 3.201 20 0 CGADHM COc1ccc(CNCc2c(F)ccc([O-])c2F)c(C)c1 ZINC000556834248 542756874 /nfs/dbraw/zinc/75/68/74/542756874.db2.gz GJWBHAHPRLTVJF-UHFFFAOYSA-N -1 3 293.313 3.277 20 0 CGADHM O=C(Nc1ncccc1[O-])[C@H]1CCSc2ccccc21 ZINC000341894757 392994112 /nfs/dbraw/zinc/99/41/12/392994112.db2.gz XSBLHVSFASDGGD-NSHDSACASA-N -1 3 286.356 3.005 20 0 CGADHM C[C@@H]1CCN(C(=O)[C@@H]2CC2(C)C)c2c([O-])cccc21 ZINC000345135234 393051849 /nfs/dbraw/zinc/05/18/49/393051849.db2.gz NZGNCRHJBCLASE-PWSUYJOCSA-N -1 3 259.349 3.279 20 0 CGADHM CC1(NC(=O)CCCc2ccc([O-])c(F)c2)CCCC1 ZINC000469095557 393176562 /nfs/dbraw/zinc/17/65/62/393176562.db2.gz YPSKETOIWDHCQM-UHFFFAOYSA-N -1 3 279.355 3.303 20 0 CGADHM CCc1ccc(CC)c(NC(=O)NCc2ncccc2[O-])c1 ZINC000467952269 393112766 /nfs/dbraw/zinc/11/27/66/393112766.db2.gz MEFUZSYGHYIBBR-UHFFFAOYSA-N -1 3 299.374 3.234 20 0 CGADHM CCCCCOCC(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000469173097 393179832 /nfs/dbraw/zinc/17/98/32/393179832.db2.gz XSSDUWXDXMUJPT-CYBMUJFWSA-N -1 3 291.391 3.439 20 0 CGADHM Cc1ccccc1OCC(=O)Nc1c([O-])cccc1Cl ZINC000646488443 393292633 /nfs/dbraw/zinc/29/26/33/393292633.db2.gz SZODCSGJFKHASQ-UHFFFAOYSA-N -1 3 291.734 3.372 20 0 CGADHM Cc1ccccc1[C@@H](C)NC(=O)c1ccc2[nH][n-]c(=O)c2c1 ZINC000646566868 393303003 /nfs/dbraw/zinc/30/30/03/393303003.db2.gz CVHUZAITLOMWPU-LLVKDONJSA-N -1 3 295.342 3.068 20 0 CGADHM O=S(=O)([N-]C1CCC1)c1c(Cl)ccc2ccccc21 ZINC000416505522 393312863 /nfs/dbraw/zinc/31/28/63/393312863.db2.gz DKZHHGZZWONPBV-UHFFFAOYSA-N -1 3 295.791 3.324 20 0 CGADHM O=C(c1cc([O-])ccc1Cl)N1CCC(C2CC2)CC1 ZINC000646773950 393324357 /nfs/dbraw/zinc/32/43/57/393324357.db2.gz PEMOXNXZNPZFHU-UHFFFAOYSA-N -1 3 279.767 3.308 20 0 CGADHM CC(C)(C)c1cnc(CNCC2(CC(=O)[O-])CCC2)s1 ZINC000417568135 393350463 /nfs/dbraw/zinc/35/04/63/393350463.db2.gz PHILFLSBEMMZJO-UHFFFAOYSA-N -1 3 296.436 3.175 20 0 CGADHM Cc1cnc([C@@H](C)Sc2n[n-]c(-c3ccccn3)n2)o1 ZINC000356172011 393367761 /nfs/dbraw/zinc/36/77/61/393367761.db2.gz YQWLNLTXDSDNCL-SECBINFHSA-N -1 3 287.348 3.016 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@H]1CCCCC1(C)C ZINC000649229578 393377955 /nfs/dbraw/zinc/37/79/55/393377955.db2.gz DXCGFCBLZPOLFJ-GFCCVEGCSA-N -1 3 277.412 3.418 20 0 CGADHM Cc1oc(C)c(C(=O)N=c2[nH][n-]c(C(C)C)c2C)c1C ZINC000649233122 393380599 /nfs/dbraw/zinc/38/05/99/393380599.db2.gz ABULXBJFCXBSRL-UHFFFAOYSA-N -1 3 275.352 3.034 20 0 CGADHM CCc1cc(=O)[n-]c(CN[C@@H](CC)c2ccccc2F)n1 ZINC000649740529 393569620 /nfs/dbraw/zinc/56/96/20/393569620.db2.gz CUMMEYMPKOTJRL-AWEZNQCLSA-N -1 3 289.354 3.125 20 0 CGADHM CCCCCN(C(=O)c1ccc2[nH][n-]c(=O)c2c1)C(C)C ZINC000666897690 542823933 /nfs/dbraw/zinc/82/39/33/542823933.db2.gz YEPUNONTPJNYBW-UHFFFAOYSA-N -1 3 289.379 3.309 20 0 CGADHM COC(=O)c1cnc(SC[C@H]2CCc3ccccc32)[n-]1 ZINC000432673909 393626867 /nfs/dbraw/zinc/62/68/67/393626867.db2.gz YJGIHMCLPSFSMD-LLVKDONJSA-N -1 3 288.372 3.018 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N2CCC[C@H](c3ccccc3)C2)n1 ZINC000433074932 393683139 /nfs/dbraw/zinc/68/31/39/393683139.db2.gz XAYVMJIHMAMXAO-HOCLYGCPSA-N -1 3 297.402 3.431 20 0 CGADHM CC(C)CCSCC(=O)N1CCCc2cccc([O-])c21 ZINC000490882100 393658505 /nfs/dbraw/zinc/65/85/05/393658505.db2.gz URWPGOPQWXOPQR-UHFFFAOYSA-N -1 3 293.432 3.451 20 0 CGADHM Cc1ccncc1/C=C\C(=O)Nc1ccc(Cl)cc1[O-] ZINC000492466720 393739971 /nfs/dbraw/zinc/73/99/71/393739971.db2.gz XTMOEIHUNVGJJQ-DJWKRKHSSA-N -1 3 288.734 3.401 20 0 CGADHM CC(C)C[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000443745268 393772261 /nfs/dbraw/zinc/77/22/61/393772261.db2.gz JCIYJAMLIWPYPJ-QMMMGPOBSA-N -1 3 281.830 3.114 20 0 CGADHM [O-]c1ccc(Cc2nc(-c3ccoc3)no2)c(Cl)c1 ZINC000445457543 393796276 /nfs/dbraw/zinc/79/62/76/393796276.db2.gz YPLZCISUKYERAB-UHFFFAOYSA-N -1 3 276.679 3.279 20 0 CGADHM CC(C)C[C@@H]([N-]S(=O)(=O)c1ccco1)c1cccs1 ZINC000445712169 393818819 /nfs/dbraw/zinc/81/88/19/393818819.db2.gz PKZXESXUMYCXNQ-LLVKDONJSA-N -1 3 299.417 3.407 20 0 CGADHM CC(C)CC[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccco1 ZINC000445716333 393818821 /nfs/dbraw/zinc/81/88/21/393818821.db2.gz OZEDZMWWVSPXBL-OLZOCXBDSA-N -1 3 285.409 3.163 20 0 CGADHM CC(C)C(C)(C)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000445744814 393820711 /nfs/dbraw/zinc/82/07/11/393820711.db2.gz XEMUXEHWBBGYON-UHFFFAOYSA-N -1 3 295.857 3.362 20 0 CGADHM CC(=O)c1ccc(C(=O)NC2(C)CCCCC2)cc1[O-] ZINC000667005557 542835702 /nfs/dbraw/zinc/83/57/02/542835702.db2.gz ZOEZYTGEWWZRHV-UHFFFAOYSA-N -1 3 275.348 3.047 20 0 CGADHM CCSCC[C@@H](C)N(C)C(=O)Cc1ccc([O-])c(F)c1 ZINC000450055608 393970188 /nfs/dbraw/zinc/97/01/88/393970188.db2.gz FMQBBGHRJZQHLM-LLVKDONJSA-N -1 3 299.411 3.064 20 0 CGADHM COc1cc(C(=O)N[C@@H](C)[C@@H]2CCC[C@@H](C)C2)ccc1[O-] ZINC000457001693 394308753 /nfs/dbraw/zinc/30/87/53/394308753.db2.gz MKESXZBTIGSTTB-FRRDWIJNSA-N -1 3 291.391 3.345 20 0 CGADHM CC[C@@]1(C(C)C)C[C@@H]1NC(=O)c1c[n-]c2ccccc2c1=O ZINC000457261692 394338179 /nfs/dbraw/zinc/33/81/79/394338179.db2.gz CZZYQFCJYSOEFR-YJBOKZPZSA-N -1 3 298.386 3.083 20 0 CGADHM CC1(C)Cc2ccsc2CN1C(=O)c1cccc([O-])c1 ZINC000457335607 394346639 /nfs/dbraw/zinc/34/66/39/394346639.db2.gz YSHJQCFNADBZTD-UHFFFAOYSA-N -1 3 287.384 3.431 20 0 CGADHM CC[C@H](C)c1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000550793106 289084424 /nfs/dbraw/zinc/08/44/24/289084424.db2.gz DJDQQUFNNKVLPB-VIFPVBQESA-N -1 3 295.326 3.041 20 0 CGADHM COc1cccc(Cl)c1CNCC1(C(=O)[O-])CCCC1 ZINC000669469820 543108086 /nfs/dbraw/zinc/10/80/86/543108086.db2.gz PAYMDXDTGCPXOO-UHFFFAOYSA-N -1 3 297.782 3.083 20 0 CGADHM COc1cc(Cl)c(Cl)cc1C(=O)[N-]c1cnoc1 ZINC000674088493 543269515 /nfs/dbraw/zinc/26/95/15/543269515.db2.gz XNYPGTSFMUDNMS-UHFFFAOYSA-N -1 3 287.102 3.242 20 0 CGADHM CCc1cccc(C(=O)NCc2ccc(Cl)o2)c1[O-] ZINC000674358726 543283062 /nfs/dbraw/zinc/28/30/62/543283062.db2.gz KGJMEIRYDCATDD-UHFFFAOYSA-N -1 3 279.723 3.131 20 0 CGADHM CCc1cc(=O)[n-]c(CN(C)[C@H]2CCCc3ccccc32)n1 ZINC000675178632 543319781 /nfs/dbraw/zinc/31/97/81/543319781.db2.gz XEISIHMXYIBREG-INIZCTEOSA-N -1 3 297.402 3.254 20 0 CGADHM CCc1cc(=O)[n-]c(CN2CC[C@H](C)[C@@H]3CCCC[C@@H]32)n1 ZINC000675183339 543319961 /nfs/dbraw/zinc/31/99/61/543319961.db2.gz YTKFTNLOHUZYGG-QEJZJMRPSA-N -1 3 289.423 3.145 20 0 CGADHM CCC[C@@H](C)[N-]S(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000675450373 543341221 /nfs/dbraw/zinc/34/12/21/543341221.db2.gz KTPPTDGERJJMMS-SECBINFHSA-N -1 3 293.791 3.254 20 0 CGADHM Cc1nc(C(=O)[N-]c2c(F)cc(Cl)c(C)c2F)co1 ZINC000675580299 543347887 /nfs/dbraw/zinc/34/78/87/543347887.db2.gz XSIBNFKEPYMANF-UHFFFAOYSA-N -1 3 286.665 3.475 20 0 CGADHM CSc1cccc(C)c1[N-]C(=O)c1coc(C)n1 ZINC000676412327 543396031 /nfs/dbraw/zinc/39/60/31/543396031.db2.gz OSLJDPYYMRZEOT-UHFFFAOYSA-N -1 3 262.334 3.266 20 0 CGADHM CC(=O)C(C)(C)CCC(=O)Nc1cc(Cl)ccc1[O-] ZINC000676632456 543408747 /nfs/dbraw/zinc/40/87/47/543408747.db2.gz RFOKOOHNKADBMS-UHFFFAOYSA-N -1 3 283.755 3.380 20 0 CGADHM [O-]c1cc(/C=C\c2ccncn2)cc(C(F)(F)F)c1 ZINC000357071130 296589889 /nfs/dbraw/zinc/58/98/89/296589889.db2.gz GHLWYKQEDAEBKY-UPHRSURJSA-N -1 3 266.222 3.371 20 0 CGADHM O=C(CNc1cccc(Cl)c1)Nc1ccccc1[O-] ZINC000677521172 543453502 /nfs/dbraw/zinc/45/35/02/543453502.db2.gz GBRZZFGSKGURTK-UHFFFAOYSA-N -1 3 276.723 3.096 20 0 CGADHM Clc1ccc(C[N-]c2nc(-c3ccccc3)no2)nc1 ZINC000678827526 543564283 /nfs/dbraw/zinc/56/42/83/543564283.db2.gz CIDWXCTZJDBWNV-UHFFFAOYSA-N -1 3 286.722 3.397 20 0 CGADHM COc1ccc(C(=O)N2CCC3(C2)CCCCC3)c([O-])c1 ZINC000174003156 286272663 /nfs/dbraw/zinc/27/26/63/286272663.db2.gz PYJCIOFKQOELFZ-UHFFFAOYSA-N -1 3 289.375 3.197 20 0 CGADHM Cc1ccc2[n-]cc(C(=O)N3CCC[C@@H](C)CC3)c(=O)c2c1 ZINC000341594841 292300298 /nfs/dbraw/zinc/30/02/98/292300298.db2.gz SMXLSAAOPWSNNS-GFCCVEGCSA-N -1 3 298.386 3.099 20 0 CGADHM O=S(=O)([N-]c1cc(F)ccc1Cl)c1ccsc1 ZINC000560440001 289590999 /nfs/dbraw/zinc/59/09/99/289590999.db2.gz OESOSHANELXWAS-UHFFFAOYSA-N -1 3 291.756 3.341 20 0 CGADHM Cc1ccc(CC(=O)Nc2ccc(C)cc2[O-])s1 ZINC000049023152 286915367 /nfs/dbraw/zinc/91/53/67/286915367.db2.gz HYIQWKDAOFLQLF-UHFFFAOYSA-N -1 3 261.346 3.252 20 0 CGADHM Cc1c2cccc(C)c2oc1C(=O)[N-]c1nncs1 ZINC000048912490 286913452 /nfs/dbraw/zinc/91/34/52/286913452.db2.gz SMFPRUPNZSIIBH-UHFFFAOYSA-N -1 3 273.317 3.153 20 0 CGADHM Cc1ccc(F)c(C(=O)N2CCCc3cccc([O-])c32)c1 ZINC000063063952 286961911 /nfs/dbraw/zinc/96/19/11/286961911.db2.gz QOPLYGKDABWVKG-UHFFFAOYSA-N -1 3 285.318 3.433 20 0 CGADHM COc1ccc2nc(-c3ccc(Cl)cc3)[n-]c(=O)c2c1 ZINC000063580880 286963739 /nfs/dbraw/zinc/96/37/39/286963739.db2.gz OBGGFFXWWUFNPK-UHFFFAOYSA-N -1 3 286.718 3.252 20 0 CGADHM Cc1ccc(C(=O)NCC2(c3ccc(F)cc3)CC2)c([O-])c1 ZINC000071930272 286994434 /nfs/dbraw/zinc/99/44/34/286994434.db2.gz QZVISGYSMHLEBX-UHFFFAOYSA-N -1 3 299.345 3.301 20 0 CGADHM CSCC(=O)Nc1cc(Cc2ccccc2)ccc1[O-] ZINC000081460000 287073416 /nfs/dbraw/zinc/07/34/16/287073416.db2.gz YLKADRGBLRFCNG-UHFFFAOYSA-N -1 3 287.384 3.285 20 0 CGADHM O=C(Cc1cccc(Cl)c1)Nc1ccccc1[O-] ZINC000069370326 165051431 /nfs/dbraw/zinc/05/14/31/165051431.db2.gz PACHOYRGFNGOIB-UHFFFAOYSA-N -1 3 261.708 3.227 20 0 CGADHM Cc1ccc(NC(=O)c2scnc2C2CC2)c([O-])c1 ZINC000089639593 287092300 /nfs/dbraw/zinc/09/23/00/287092300.db2.gz OBTNDOBUMUNAEB-UHFFFAOYSA-N -1 3 274.345 3.287 20 0 CGADHM CCc1cnc([N-]C(=O)c2cc([C@@H](C)CC)no2)s1 ZINC000081232030 165162470 /nfs/dbraw/zinc/16/24/70/165162470.db2.gz SUZPWQOLNUVAKE-QMMMGPOBSA-N -1 3 279.365 3.459 20 0 CGADHM O=C(Cc1ccccc1Cl)Nc1ccc([O-])cc1F ZINC000085203834 165179107 /nfs/dbraw/zinc/17/91/07/165179107.db2.gz AQQQIVKZIINDRU-UHFFFAOYSA-N -1 3 279.698 3.366 20 0 CGADHM Cc1cccc(C(=O)N2CCC[C@@H]3CCC[C@H]32)c1[O-] ZINC000087777666 165190533 /nfs/dbraw/zinc/19/05/33/165190533.db2.gz ZBMYYCWDYDTSSE-GXTWGEPZSA-N -1 3 259.349 3.105 20 0 CGADHM CCc1noc(C)c1NC(=O)c1cc(CC)ccc1[O-] ZINC000093246312 287115217 /nfs/dbraw/zinc/11/52/17/287115217.db2.gz IDZMWOWQZGDIAI-UHFFFAOYSA-N -1 3 274.320 3.066 20 0 CGADHM COc1ccc(-c2noc(-c3cccc(C)c3[O-])n2)cc1 ZINC000109037246 287127332 /nfs/dbraw/zinc/12/73/32/287127332.db2.gz HSWUHRKLNQXURW-UHFFFAOYSA-N -1 3 282.299 3.426 20 0 CGADHM CCc1ccc([O-])c(C(=O)NC[C@H]2CC=CCC2)c1 ZINC000109828472 287130194 /nfs/dbraw/zinc/13/01/94/287130194.db2.gz XHRPMSAZIAWSSY-ZDUSSCGKSA-N -1 3 259.349 3.041 20 0 CGADHM [O-]c1ccccc1-c1nc(Cc2ccc(F)cc2)no1 ZINC000111687538 287135798 /nfs/dbraw/zinc/13/57/98/287135798.db2.gz NOVJTHFDGUAFMA-UHFFFAOYSA-N -1 3 270.263 3.172 20 0 CGADHM Cc1cccc(C(=O)N2CCCC[C@H]2C(C)C)c1[O-] ZINC000117194854 287159157 /nfs/dbraw/zinc/15/91/57/287159157.db2.gz CAPHXWUCFHAIKM-AWEZNQCLSA-N -1 3 261.365 3.351 20 0 CGADHM Cc1ccc(C(=O)N2CC[C@H](C)C[C@H](C)C2)c([O-])c1 ZINC000119315452 287167935 /nfs/dbraw/zinc/16/79/35/287167935.db2.gz ZQVDPULTNHHUFA-STQMWFEESA-N -1 3 261.365 3.209 20 0 CGADHM COc1ccccc1CS[C@H](C)c1nc(C)cc(=O)[n-]1 ZINC000120872154 287188507 /nfs/dbraw/zinc/18/85/07/287188507.db2.gz MNTNEEORTHOBKR-LLVKDONJSA-N -1 3 290.388 3.494 20 0 CGADHM CC[C@H](c1ccc(F)cc1F)N1CCC[C@H](C(=O)[O-])C1 ZINC000006168558 170180018 /nfs/dbraw/zinc/18/00/18/170180018.db2.gz BEOHDLXDHYERSP-IINYFYTJSA-N -1 3 283.318 3.213 20 0 CGADHM CC(C)(C)CC(C)(C)[N-]S(=O)(=O)c1ccccc1F ZINC000007376094 170280557 /nfs/dbraw/zinc/28/05/57/170280557.db2.gz SMBWUOLTZSUTKS-UHFFFAOYSA-N -1 3 287.400 3.319 20 0 CGADHM O=C(Nc1ccccc1[O-])c1ccc(Br)s1 ZINC000008189345 170323624 /nfs/dbraw/zinc/32/36/24/170323624.db2.gz UUAGIKRHYAQDGC-UHFFFAOYSA-N -1 3 298.161 3.469 20 0 CGADHM CC1(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)CC1 ZINC000013560833 170562719 /nfs/dbraw/zinc/56/27/19/170562719.db2.gz NWQGEMZFHSQUAM-UHFFFAOYSA-N -1 3 259.227 3.150 20 0 CGADHM COc1ccc(NC(=O)c2c([O-])cccc2O)cc1Cl ZINC000125556517 287247040 /nfs/dbraw/zinc/24/70/40/287247040.db2.gz JSSNCZPPMYBIGF-UHFFFAOYSA-N -1 3 293.706 3.012 20 0 CGADHM C[C@@H](NC(=O)c1c([O-])cccc1O)c1cc2ccccc2o1 ZINC000125584172 287247167 /nfs/dbraw/zinc/24/71/67/287247167.db2.gz BDQSYVFOIBXYDH-SNVBAGLBSA-N -1 3 297.310 3.335 20 0 CGADHM C[C@H](NCCC(=O)[O-])c1ccc(Cl)cc1Cl ZINC000020303453 171140179 /nfs/dbraw/zinc/14/01/79/171140179.db2.gz DALBAGBSHPRTLK-ZETCQYMHSA-N -1 3 262.136 3.119 20 0 CGADHM CC(C)CC[C@H](C)[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000023993793 171429301 /nfs/dbraw/zinc/42/93/01/171429301.db2.gz ZSSBCBOVDZSGOY-JTQLQIEISA-N -1 3 291.363 3.068 20 0 CGADHM COc1ccc(/C=C/C(=O)Nc2ccccc2[O-])c(OC)c1 ZINC000127479659 287288939 /nfs/dbraw/zinc/28/89/39/287288939.db2.gz YVRNBDAMYPPDOF-CSKARUKUSA-N -1 3 299.326 3.061 20 0 CGADHM Cc1ccc(NC(=O)c2cccc(N(C)C)c2)c([O-])c1 ZINC000040413306 174254966 /nfs/dbraw/zinc/25/49/66/174254966.db2.gz XBHFKNCMIRFAED-UHFFFAOYSA-N -1 3 270.332 3.019 20 0 CGADHM Cc1ccc(C(=O)N[C@H](C)c2nc3ccccc3[nH]2)c([O-])c1 ZINC000127707704 287294277 /nfs/dbraw/zinc/29/42/77/287294277.db2.gz WXSONRASTJOFIJ-LLVKDONJSA-N -1 3 295.342 3.068 20 0 CGADHM Cc1cccc([O-])c1NC(=O)/C=C\c1cccc(O)c1 ZINC000492734736 292571330 /nfs/dbraw/zinc/57/13/30/292571330.db2.gz KQPXTAIAFGRLOK-HJWRWDBZSA-N -1 3 269.300 3.058 20 0 CGADHM CC(=O)Nc1cccc(NC(=O)c2cccc(C)c2[O-])c1C ZINC000128160743 287304989 /nfs/dbraw/zinc/30/49/89/287304989.db2.gz IARFIKOADPJTFA-UHFFFAOYSA-N -1 3 298.342 3.220 20 0 CGADHM O=C(Nc1cccc([O-])c1F)c1cccc2ncccc21 ZINC000128523634 287312951 /nfs/dbraw/zinc/31/29/51/287312951.db2.gz UUVXFQAPBAXSEP-UHFFFAOYSA-N -1 3 282.274 3.332 20 0 CGADHM O=C(Nc1cccc([O-])c1F)C1CCC(F)(F)CC1 ZINC000128701767 287316526 /nfs/dbraw/zinc/31/65/26/287316526.db2.gz NRJWGBMXSMEGFD-UHFFFAOYSA-N -1 3 273.254 3.295 20 0 CGADHM O=C(Nc1cccc([O-])c1F)c1scnc1C1CC1 ZINC000128704060 287316659 /nfs/dbraw/zinc/31/66/59/287316659.db2.gz CBGXALQHVXMLDQ-UHFFFAOYSA-N -1 3 278.308 3.118 20 0 CGADHM O=C(Cn1ccc2ccccc21)Nc1cccc([O-])c1F ZINC000129105771 287324390 /nfs/dbraw/zinc/32/43/90/287324390.db2.gz IUXLJVVVBDQGKX-UHFFFAOYSA-N -1 3 284.290 3.125 20 0 CGADHM O=C(CCCc1ccccc1)[N-]OCCC(F)(F)F ZINC000077239457 177237370 /nfs/dbraw/zinc/23/73/70/177237370.db2.gz BFQJVFIELUDIOD-UHFFFAOYSA-N -1 3 275.270 3.010 20 0 CGADHM CCCOc1ccccc1NCc1nc(C)ccc1[O-] ZINC000078780080 177387061 /nfs/dbraw/zinc/38/70/61/177387061.db2.gz ZTABEMCEMZVCEX-UHFFFAOYSA-N -1 3 272.348 3.497 20 0 CGADHM Cc1ccc(C(=O)Nc2cccc([O-])c2F)s1 ZINC000129410855 287330455 /nfs/dbraw/zinc/33/04/55/287330455.db2.gz VFBLYKGFEDTYFR-UHFFFAOYSA-N -1 3 251.282 3.154 20 0 CGADHM CCC[C@H](C)NC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000049179949 416466605 /nfs/dbraw/zinc/46/66/05/416466605.db2.gz IXEHUBFGFWBITP-NSHDSACASA-N -1 3 261.365 3.189 20 0 CGADHM Cc1ccc([O-])c(C(=O)NCCOc2c(C)cccc2C)c1 ZINC000058983977 416484785 /nfs/dbraw/zinc/48/47/85/416484785.db2.gz KWKJXDBPPBLYNR-UHFFFAOYSA-N -1 3 299.370 3.126 20 0 CGADHM C[C@H]1CN(Cc2cccc(C(F)F)c2)CC[C@@H]1C(=O)[O-] ZINC000312825387 416534372 /nfs/dbraw/zinc/53/43/72/416534372.db2.gz JIOMNVAJPVYTDR-GWCFXTLKSA-N -1 3 283.318 3.167 20 0 CGADHM Cn1ccc2c1cccc2C(=O)Nc1cccc([O-])c1F ZINC000129542668 287334447 /nfs/dbraw/zinc/33/44/47/287334447.db2.gz PBWLRHZKKHZKQL-UHFFFAOYSA-N -1 3 284.290 3.275 20 0 CGADHM C[C@@H]1CCC[C@H](c2nc3ccc([O-])cc3c(=O)[nH]2)C1 ZINC000679270264 543611239 /nfs/dbraw/zinc/61/12/39/543611239.db2.gz WJIRCWALOWGUOR-ZJUUUORDSA-N -1 3 258.321 3.335 20 0 CGADHM CC(C)(C)C1CCC(CN2CCO[C@H](CC(=O)[O-])C2)CC1 ZINC000130302697 287351248 /nfs/dbraw/zinc/35/12/48/287351248.db2.gz WJCCCUNJIXRPIR-YMAMQOFZSA-N -1 3 297.439 3.014 20 0 CGADHM C[C@@H](CC(=O)Nc1ccc([O-])cc1F)c1ccncc1 ZINC000679920490 543667825 /nfs/dbraw/zinc/66/78/25/543667825.db2.gz UXFWBNPRWNXZID-JTQLQIEISA-N -1 3 274.295 3.059 20 0 CGADHM O=C(CNc1ccccc1Cl)Nc1ccc([O-])cc1F ZINC000679919487 543668034 /nfs/dbraw/zinc/66/80/34/543668034.db2.gz ANBWHEPTQDIBIX-UHFFFAOYSA-N -1 3 294.713 3.235 20 0 CGADHM Cc1cc(NC(=O)c2ccc(C)cc2[O-])nn1[C@@H](C)C1CC1 ZINC000680043970 543679090 /nfs/dbraw/zinc/67/90/90/543679090.db2.gz VBISXZDDATYIQF-LBPRGKRZSA-N -1 3 299.374 3.429 20 0 CGADHM O=C(CNc1cccc(Cl)c1)Nc1ccc([O-])cc1F ZINC000681338125 543782222 /nfs/dbraw/zinc/78/22/22/543782222.db2.gz CRCHBAKNHJOGCC-UHFFFAOYSA-N -1 3 294.713 3.235 20 0 CGADHM Cc1ccc([O-])c(C(=O)NC(C)(C)CC(F)(F)F)c1 ZINC000682023645 543816525 /nfs/dbraw/zinc/81/65/25/543816525.db2.gz UISDGMBOYGKACL-UHFFFAOYSA-N -1 3 275.270 3.161 20 0 CGADHM C[C@H](CNC(=O)CCCc1ccc([O-])c(F)c1)C1CC1 ZINC000682474907 543848075 /nfs/dbraw/zinc/84/80/75/543848075.db2.gz LZTZPMXVFKYQBD-LLVKDONJSA-N -1 3 279.355 3.016 20 0 CGADHM Cc1ccc(C(=O)Nc2cc(CO)c(C)cc2C)c([O-])c1C ZINC000682580745 543853478 /nfs/dbraw/zinc/85/34/78/543853478.db2.gz RJFYKCDUVCWZMO-UHFFFAOYSA-N -1 3 299.370 3.370 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCC(C)=C(c3ccco3)C2)n1 ZINC000366969964 226014145 /nfs/dbraw/zinc/01/41/45/226014145.db2.gz OYTPZIZFYYAQEM-CYBMUJFWSA-N -1 3 299.374 3.324 20 0 CGADHM CCn1ccc(CN(C)C(=O)c2ccc(C)c(C)c2[O-])c1 ZINC000682944675 543880442 /nfs/dbraw/zinc/88/04/42/543880442.db2.gz RVJHDVNWPQCYEP-UHFFFAOYSA-N -1 3 286.375 3.103 20 0 CGADHM Cc1cc(C)cc(CNCc2cccc(C(=O)[O-])c2)c1 ZINC000683170614 543900696 /nfs/dbraw/zinc/90/06/96/543900696.db2.gz LDWHUYDBXFAJFH-UHFFFAOYSA-N -1 3 269.344 3.291 20 0 CGADHM Cc1nc(C(=O)[N-]c2c(F)cc(F)cc2F)sc1C ZINC000683743504 543937683 /nfs/dbraw/zinc/93/76/83/543937683.db2.gz HBIXRRDESDWLTO-UHFFFAOYSA-N -1 3 286.278 3.430 20 0 CGADHM CCc1ccc([O-])c(-c2nc(Cc3c(C)noc3C)no2)c1 ZINC000684615973 544020014 /nfs/dbraw/zinc/02/00/14/544020014.db2.gz PZYIRISKEBFHCS-UHFFFAOYSA-N -1 3 299.330 3.200 20 0 CGADHM CCC(=O)c1cccc(NC(=O)c2cc(OC)ccc2[O-])c1 ZINC000132224406 287399645 /nfs/dbraw/zinc/39/96/45/287399645.db2.gz AHFBDUQOMFFEDY-UHFFFAOYSA-N -1 3 299.326 3.246 20 0 CGADHM Cc1occc1CNC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000684404194 543993865 /nfs/dbraw/zinc/99/38/65/543993865.db2.gz AKZGKRVWWBRUOU-UHFFFAOYSA-N -1 3 299.248 3.242 20 0 CGADHM Cc1cccc([O-])c1NC(=O)[C@@H]1Cc2ccc(F)cc21 ZINC000684472138 544005904 /nfs/dbraw/zinc/00/59/04/544005904.db2.gz WGPUDOOGSBRYCW-CYBMUJFWSA-N -1 3 271.291 3.118 20 0 CGADHM CCCC[C@@H](C(=O)[O-])N(C)Cc1cc(C)ccc1F ZINC000652433135 418967951 /nfs/dbraw/zinc/96/79/51/418967951.db2.gz TUSKIIVHHRUGRQ-AWEZNQCLSA-N -1 3 267.344 3.209 20 0 CGADHM c1ccc2c(c1)CC[C@H]2[N-]c1nc(C2CCC2)no1 ZINC000664363285 418942647 /nfs/dbraw/zinc/94/26/47/418942647.db2.gz FSFBAICVJIGSHO-CYBMUJFWSA-N -1 3 255.321 3.437 20 0 CGADHM CN(Cc1ncccc1C(=O)[O-])[C@@H]1CCCc2ccccc21 ZINC000652377694 418959096 /nfs/dbraw/zinc/95/90/96/418959096.db2.gz NEHCIDNBPNINOP-QGZVFWFLSA-N -1 3 296.370 3.289 20 0 CGADHM O=C([O-])c1coc(CN2CCC[C@@H]2c2ccccc2)c1 ZINC000652384208 418959416 /nfs/dbraw/zinc/95/94/16/418959416.db2.gz SXGGOXVMUGARSB-OAHLLOKOSA-N -1 3 271.316 3.315 20 0 CGADHM CN(Cc1oc(-c2ccccc2)nc1C(=O)[O-])C(C)(C)C ZINC000652386149 418960175 /nfs/dbraw/zinc/96/01/75/418960175.db2.gz CCGUXFGYNDMXIY-UHFFFAOYSA-N -1 3 288.347 3.270 20 0 CGADHM C[C@@H](c1cccc2ccccc21)N1C[C@@H](C)O[C@@H](C(=O)[O-])C1 ZINC000652508944 418976109 /nfs/dbraw/zinc/97/61/09/418976109.db2.gz OERYQNVVVMZFAO-IIYDPXPESA-N -1 3 299.370 3.075 20 0 CGADHM CN(CCC(C)(C)C)[C@H](C(=O)[O-])c1ccccc1F ZINC000652417027 418964163 /nfs/dbraw/zinc/96/41/63/418964163.db2.gz SGRJMOVIKZXQLM-ZDUSSCGKSA-N -1 3 267.344 3.319 20 0 CGADHM CCc1cc(C(=O)N[C@@H](COC)CC(C)(C)C)ccc1[O-] ZINC000655305172 419036362 /nfs/dbraw/zinc/03/63/62/419036362.db2.gz NGBVIJKLLXHDFA-CQSZACIVSA-N -1 3 293.407 3.136 20 0 CGADHM C[C@@H]1CCCN1[C@@H](C(=O)[O-])c1ccccc1Br ZINC000659787895 418989447 /nfs/dbraw/zinc/98/94/47/418989447.db2.gz SKLXJOISBSPLMF-BXKDBHETSA-N -1 3 298.180 3.059 20 0 CGADHM CC(C)=CCCN1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000659789716 418992393 /nfs/dbraw/zinc/99/23/93/418992393.db2.gz ULOBIPZUIZWUDM-OAHLLOKOSA-N -1 3 259.349 3.027 20 0 CGADHM COc1cccc(CN([C@H](C)C(=O)[O-])C2CCC2)c1Cl ZINC000659795243 418992885 /nfs/dbraw/zinc/99/28/85/418992885.db2.gz WSIRZRXQRJQFKE-SNVBAGLBSA-N -1 3 297.782 3.176 20 0 CGADHM CN(Cc1ccoc1C(=O)[O-])C[C@@H]1CCc2ccccc21 ZINC000659804480 418996641 /nfs/dbraw/zinc/99/66/41/418996641.db2.gz XWFJFVIBJHCEQB-ZDUSSCGKSA-N -1 3 285.343 3.140 20 0 CGADHM O=C(CCCc1ccc([O-])c(F)c1)NC1(C2CCC2)CC1 ZINC000652867804 418996774 /nfs/dbraw/zinc/99/67/74/418996774.db2.gz BTGFJNQKBWOJHR-UHFFFAOYSA-N -1 3 291.366 3.303 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)N2CC(C)(C)[C@H]2c2ccncc2)n1 ZINC000664830534 419011502 /nfs/dbraw/zinc/01/15/02/419011502.db2.gz WAGFOFJFQJEAAC-IUODEOHRSA-N -1 3 298.390 3.030 20 0 CGADHM CCC(C)(C)CCNC(C)(C)c1nc(C)cc(=O)[n-]1 ZINC000660747065 419189772 /nfs/dbraw/zinc/18/97/72/419189772.db2.gz FSSGDJCKODJNGL-UHFFFAOYSA-N -1 3 265.401 3.142 20 0 CGADHM [O-]c1cc(CN2CC(C(F)F)C2)cc(C(F)(F)F)c1 ZINC000656691510 419202866 /nfs/dbraw/zinc/20/28/66/419202866.db2.gz DWHMPEUOLJAATE-UHFFFAOYSA-N -1 3 281.224 3.108 20 0 CGADHM CO[C@@H](CNCc1cccc([O-])c1Cl)CC(C)C ZINC000418097433 228035057 /nfs/dbraw/zinc/03/50/57/228035057.db2.gz NQTWHKOYTVCJOF-GFCCVEGCSA-N -1 3 271.788 3.196 20 0 CGADHM CO[C@@H](CNCc1cccc([O-])c1Cl)C1CCCC1 ZINC000657768485 419342419 /nfs/dbraw/zinc/34/24/19/419342419.db2.gz NOFDXKLNMDEVQN-AWEZNQCLSA-N -1 3 283.799 3.340 20 0 CGADHM CC(C)(C)CN(CC(=O)[O-])Cc1ccc(F)cc1Cl ZINC000662226828 419367542 /nfs/dbraw/zinc/36/75/42/419367542.db2.gz UZOSCGOLIXMBFR-UHFFFAOYSA-N -1 3 287.762 3.412 20 0 CGADHM CC(C)c1cccc(CN[C@@H](COC(C)(C)C)C(=O)[O-])c1 ZINC000663263430 419536680 /nfs/dbraw/zinc/53/66/80/419536680.db2.gz OIXKAJRNVCGABL-HNNXBMFYSA-N -1 3 293.407 3.168 20 0 CGADHM CC12CC(C1)CN2[C@@H](C(=O)[O-])c1ccccc1C(F)(F)F ZINC000663314893 419553149 /nfs/dbraw/zinc/55/31/49/419553149.db2.gz BZIBEPNAFYEPNB-VTGPFMDVSA-N -1 3 299.292 3.315 20 0 CGADHM Cn1c(=O)[n-]nc1SCc1cccc(C(C)(C)C)c1 ZINC000663948718 419773040 /nfs/dbraw/zinc/77/30/40/419773040.db2.gz DKWIQODOECCRFC-UHFFFAOYSA-N -1 3 277.393 3.111 20 0 CGADHM CCc1ccc(C(=O)N(C)CCc2ccccc2)c([O-])c1 ZINC000189253311 287567513 /nfs/dbraw/zinc/56/75/13/287567513.db2.gz QZOXMBVMCYAANA-UHFFFAOYSA-N -1 3 283.371 3.269 20 0 CGADHM [O-]c1coc2cc(OC[C@@H]3C[C@H]3c3ccccc3)ccc12 ZINC000664136842 419839097 /nfs/dbraw/zinc/83/90/97/419839097.db2.gz WBXHGKLELLXNSB-BBRMVZONSA-N -1 3 280.323 3.444 20 0 CGADHM Cc1ccc(-c2noc([N-][C@H]3COC(C)(C)C3)n2)cc1 ZINC000664144380 419843940 /nfs/dbraw/zinc/84/39/40/419843940.db2.gz GUQFRZCDBIDFNR-GFCCVEGCSA-N -1 3 273.336 3.024 20 0 CGADHM CCCN(Cc1ccccc1)C(=O)/C=C/c1cncc([O-])c1 ZINC000179406574 260047439 /nfs/dbraw/zinc/04/74/39/260047439.db2.gz YRJAHYIQLAVILK-CMDGGOBGSA-N -1 3 296.370 3.239 20 0 CGADHM CC(C)[C@H]1CCCC[C@@H]1NC(=O)c1cccc([O-])c1 ZINC000215137909 260111043 /nfs/dbraw/zinc/11/10/43/260111043.db2.gz FUXVCAWROLNPQV-CABCVRRESA-N -1 3 261.365 3.337 20 0 CGADHM CCOC(=O)c1ccc(NC(=O)c2ccc([O-])c(C)c2)cc1 ZINC000318409082 261070741 /nfs/dbraw/zinc/07/07/41/261070741.db2.gz KWGPTIUQGHUEIJ-UHFFFAOYSA-N -1 3 299.326 3.130 20 0 CGADHM COc1ccc(NC(=O)c2ccc(C)cc2[O-])cc1F ZINC000037290945 270029104 /nfs/dbraw/zinc/02/91/04/270029104.db2.gz LJHDBIUJXUQLKB-UHFFFAOYSA-N -1 3 275.279 3.101 20 0 CGADHM CC(C)(C(=O)Nc1ccccc1[O-])c1ccccc1 ZINC000082265653 270042806 /nfs/dbraw/zinc/04/28/06/270042806.db2.gz UZQBOKCKNGSDCL-UHFFFAOYSA-N -1 3 255.317 3.309 20 0 CGADHM Cc1cncc(/C=C/C(=O)Nc2c(C)cccc2[O-])c1 ZINC000183062158 270055084 /nfs/dbraw/zinc/05/50/84/270055084.db2.gz PCECNKMHNQODMV-VOTSOKGWSA-N -1 3 268.316 3.056 20 0 CGADHM Cc1cc(CNCc2cc([O-])cc(F)c2)ccc1F ZINC000185454264 270062661 /nfs/dbraw/zinc/06/26/61/270062661.db2.gz QPKSRWFVFWSWKX-UHFFFAOYSA-N -1 3 263.287 3.269 20 0 CGADHM CC/C=C/CCSc1n[n-]c(-c2ccccn2)n1 ZINC000186144884 270064972 /nfs/dbraw/zinc/06/49/72/270064972.db2.gz JFWIJELVMLBDHN-ONEGZZNKSA-N -1 3 260.366 3.315 20 0 CGADHM Cc1ncc(CN[C@@H](C)c2cccc(C(C)C)c2)c(=O)[n-]1 ZINC000527885620 270141876 /nfs/dbraw/zinc/14/18/76/270141876.db2.gz ITGKNNVBJYFCAU-LBPRGKRZSA-N -1 3 285.391 3.465 20 0 CGADHM CC[C@H](CCc1ccccc1)Nc1cc(Cl)c(=O)[n-]n1 ZINC000528127190 270155126 /nfs/dbraw/zinc/15/51/26/270155126.db2.gz RJKOHNUGYNSTQF-GFCCVEGCSA-N -1 3 291.782 3.081 20 0 CGADHM CCc1cccc(-c2nc([C@@H]3CC[C@@H](C)O3)no2)c1[O-] ZINC000528235701 270159069 /nfs/dbraw/zinc/15/90/69/270159069.db2.gz LBQWEUHKEXQLBM-SKDRFNHKSA-N -1 3 274.320 3.245 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)[C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)c1[O-] ZINC000528902416 270175607 /nfs/dbraw/zinc/17/56/07/270175607.db2.gz CDJSIAGLDYRDQC-WJZNIJOASA-N -1 3 297.782 3.352 20 0 CGADHM CCc1ccc(CCN2CCc3occc3[C@H]2C(=O)[O-])cc1 ZINC000530166149 270195181 /nfs/dbraw/zinc/19/51/81/270195181.db2.gz LBERNVKWCHEJNC-KRWDZBQOSA-N -1 3 299.370 3.069 20 0 CGADHM CC[C@@H](C)C(=O)N=c1[nH][n-]c(C)c1-c1ccc(C)cc1 ZINC000530271482 270198202 /nfs/dbraw/zinc/19/82/02/270198202.db2.gz IHGFWNMLQOGRHF-LLVKDONJSA-N -1 3 271.364 3.100 20 0 CGADHM CC(C)(C)c1noc(CCCc2ccc([O-])c(F)c2)n1 ZINC000530333669 270198939 /nfs/dbraw/zinc/19/89/39/270198939.db2.gz SIZNMAKEBBBJOE-UHFFFAOYSA-N -1 3 278.327 3.387 20 0 CGADHM CCc1cccc(C(=O)Nc2cc(F)ccc2O)c1[O-] ZINC000530721239 270202427 /nfs/dbraw/zinc/20/24/27/270202427.db2.gz RABYLGNFQWSPDQ-UHFFFAOYSA-N -1 3 275.279 3.052 20 0 CGADHM CCc1cccc(C(=O)Nc2sc(C)nc2C)c1[O-] ZINC000532055500 270213138 /nfs/dbraw/zinc/21/31/38/270213138.db2.gz FPGOTYGJWSZQLC-UHFFFAOYSA-N -1 3 276.361 3.280 20 0 CGADHM COc1ccc([O-])c(C(=O)N2C[C@H](C)[C@@H]3CCCC[C@@H]32)c1 ZINC000248384567 287761537 /nfs/dbraw/zinc/76/15/37/287761537.db2.gz FIVMAAKYUIDLHY-WHOFXGATSA-N -1 3 289.375 3.052 20 0 CGADHM CCc1ccc(C(=O)Nc2ccccc2N(C)C)c([O-])c1 ZINC000436795978 276666882 /nfs/dbraw/zinc/66/68/82/276666882.db2.gz HKWXQCODKFERJM-UHFFFAOYSA-N -1 3 284.359 3.273 20 0 CGADHM CCO[C@@H](CCNC(=O)c1cc([O-])ccc1Cl)C(C)C ZINC000290482118 287911341 /nfs/dbraw/zinc/91/13/41/287911341.db2.gz ZWWOIURXKUVVOW-AWEZNQCLSA-N -1 3 299.798 3.227 20 0 CGADHM C[C@H]1CCN(C(=O)c2cncs2)c2c([O-])cccc21 ZINC000274422974 278364269 /nfs/dbraw/zinc/36/42/69/278364269.db2.gz YKFPUBQBXIRCPN-VIFPVBQESA-N -1 3 274.345 3.003 20 0 CGADHM CC1([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)CCC1 ZINC000339051077 278470646 /nfs/dbraw/zinc/47/06/46/278470646.db2.gz TUTRGCWALJHQFY-UHFFFAOYSA-N -1 3 294.203 3.214 20 0 CGADHM CC[C@@]1(C)CCN(Cc2ccc(C(=O)[O-])cc2F)C1 ZINC000399304150 288050607 /nfs/dbraw/zinc/05/06/07/288050607.db2.gz HBBDHAXAJDQOQT-HNNXBMFYSA-N -1 3 265.328 3.146 20 0 CGADHM CC(C)C[C@H](C)C(=O)N1CCCc2cccc([O-])c21 ZINC000274296590 279084405 /nfs/dbraw/zinc/08/44/05/279084405.db2.gz RHDOHCVUCWLKRY-LBPRGKRZSA-N -1 3 261.365 3.354 20 0 CGADHM C[C@H]1Cc2ccccc2[C@H]1NC(=O)c1cccc([O-])c1 ZINC000357349211 280035522 /nfs/dbraw/zinc/03/55/22/280035522.db2.gz CWQHXQNAIXFVNO-ZBEGNZNMSA-N -1 3 267.328 3.056 20 0 CGADHM O=C(Nc1ncccc1[O-])[C@@H]1CCSc2ccccc21 ZINC000341894756 280065266 /nfs/dbraw/zinc/06/52/66/280065266.db2.gz XSBLHVSFASDGGD-LLVKDONJSA-N -1 3 286.356 3.005 20 0 CGADHM CC(C)[C@H](CNCc1c(Cl)cccc1Cl)C(=O)[O-] ZINC000277531123 280253579 /nfs/dbraw/zinc/25/35/79/280253579.db2.gz ZGCZLEWPBSENDA-VIFPVBQESA-N -1 3 290.190 3.440 20 0 CGADHM Cc1cc(C(=O)[N-]c2nc3c(ccc(F)c3F)s2)on1 ZINC000347000924 280373800 /nfs/dbraw/zinc/37/38/00/280373800.db2.gz UQNLFXTYXUIXFC-UHFFFAOYSA-N -1 3 295.270 3.123 20 0 CGADHM COc1c(C)cc(Cl)cc1NC([O-])=NOC1CCC1 ZINC000529239767 288242289 /nfs/dbraw/zinc/24/22/89/288242289.db2.gz YOUOUNJPPLOZKW-UHFFFAOYSA-N -1 3 284.743 3.263 20 0 CGADHM COc1c(C)cc(Cl)cc1NC(=O)[N-]OC1CCC1 ZINC000529239767 288242291 /nfs/dbraw/zinc/24/22/91/288242291.db2.gz YOUOUNJPPLOZKW-UHFFFAOYSA-N -1 3 284.743 3.263 20 0 CGADHM C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1C(=O)Nc1c([O-])cccc1Cl ZINC000529422455 288245227 /nfs/dbraw/zinc/24/52/27/288245227.db2.gz BNKSWNFSRSEGPM-SREGZZRCSA-N -1 3 283.755 3.044 20 0 CGADHM O=C(NCc1ccc([O-])c2ncccc12)[C@H]1CCCC12CC2 ZINC000529470904 288249964 /nfs/dbraw/zinc/24/99/64/288249964.db2.gz XVBNMBXQYQZVOC-CQSZACIVSA-N -1 3 296.370 3.137 20 0 CGADHM C[C@H]1CC(C(=O)[O-])C[C@H](C)N1Cc1ccc(F)cc1F ZINC000530180057 288296699 /nfs/dbraw/zinc/29/66/99/288296699.db2.gz QFSQOBMVMLMBEC-UWVGGRQHSA-N -1 3 283.318 3.038 20 0 CGADHM Cc1nc2cc(NC(=O)c3cc(C)ccc3[O-])ccc2n1C ZINC000533873231 288396413 /nfs/dbraw/zinc/39/64/13/288396413.db2.gz ZZWQSNIWZGBQEL-UHFFFAOYSA-N -1 3 295.342 3.148 20 0 CGADHM Cc1ccc([O-])c(C(=O)NC/C=C/c2ccccc2)c1 ZINC000540884956 288674197 /nfs/dbraw/zinc/67/41/97/288674197.db2.gz NACWBHAOGWRZBW-VMPITWQZSA-N -1 3 267.328 3.144 20 0 CGADHM Cc1cc(C(=O)N[C@@H]2CCc3ccc(F)cc32)ccc1[O-] ZINC000541854664 288723767 /nfs/dbraw/zinc/72/37/67/288723767.db2.gz QATXNMQXRQXPAK-OAHLLOKOSA-N -1 3 285.318 3.257 20 0 CGADHM Cc1ncc(CN[C@@H](CC2CC2)c2ccccc2)c(=O)[n-]1 ZINC000543427464 288802352 /nfs/dbraw/zinc/80/23/52/288802352.db2.gz OHRKJJHBYZKVAR-INIZCTEOSA-N -1 3 283.375 3.122 20 0 CGADHM Cc1ccc(CCCC(=O)N=c2cc3ccccn3[n-]2)cc1 ZINC000553330899 289219853 /nfs/dbraw/zinc/21/98/53/289219853.db2.gz MILRSZRBFNKJQF-UHFFFAOYSA-N -1 3 293.370 3.026 20 0 CGADHM C[C@H](c1cc(F)ccc1F)N(C)Cc1ncccc1[O-] ZINC000554849653 289313396 /nfs/dbraw/zinc/31/33/96/289313396.db2.gz ZIWCKLKRMXFHBL-SNVBAGLBSA-N -1 3 278.302 3.258 20 0 CGADHM O=C(Nc1c([O-])cccc1Cl)C1CCSCC1 ZINC000560820568 289617087 /nfs/dbraw/zinc/61/70/87/289617087.db2.gz YERKNCBXZZNAHR-UHFFFAOYSA-N -1 3 271.769 3.127 20 0 CGADHM CCC[C@@H](C)C[C@@H](NCc1ccc(F)cc1F)C(=O)[O-] ZINC000562929099 289743651 /nfs/dbraw/zinc/74/36/51/289743651.db2.gz CZXRTFDTXPDYOZ-QMTHXVAHSA-N -1 3 285.334 3.334 20 0 CGADHM C[C@H](c1cc(Cl)ccc1Cl)N(C)CC(=O)[O-] ZINC000026441912 290214902 /nfs/dbraw/zinc/21/49/02/290214902.db2.gz VCYZFEPUNTVBSM-SSDOTTSWSA-N -1 3 262.136 3.071 20 0 CGADHM O=C(Nc1ccc(Cl)cc1[O-])c1cc(Cl)c[nH]1 ZINC000153499264 321720998 /nfs/dbraw/zinc/72/09/98/321720998.db2.gz QGKSMUIHHUBPPB-UHFFFAOYSA-N -1 3 271.103 3.279 20 0 CGADHM CC[C@H](C)CN(CC)C(=O)Cc1ccc([O-])cc1Cl ZINC000156447342 321781090 /nfs/dbraw/zinc/78/10/90/321781090.db2.gz YUVZXGOWYPQPPK-NSHDSACASA-N -1 3 283.799 3.483 20 0 CGADHM O=C(CC1CCSCC1)N1CCCc2cccc([O-])c21 ZINC000161871457 321874993 /nfs/dbraw/zinc/87/49/93/321874993.db2.gz XIIAHPCJVACMCW-UHFFFAOYSA-N -1 3 291.416 3.205 20 0 CGADHM CCc1cc(C(=O)N(Cc2ccccn2)C(C)C)ccc1[O-] ZINC000563812330 322010987 /nfs/dbraw/zinc/01/09/87/322010987.db2.gz JEELTFWTGANYPI-UHFFFAOYSA-N -1 3 298.386 3.400 20 0 CGADHM CN(CCCCCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000563891253 322014471 /nfs/dbraw/zinc/01/44/71/322014471.db2.gz CJIUZSKWMLFUKU-UHFFFAOYSA-N -1 3 271.307 3.042 20 0 CGADHM c1cc(-c2noc([C@H]3CC34CCCCC4)n2)cc2n[n-]nc12 ZINC000563928233 322015502 /nfs/dbraw/zinc/01/55/02/322015502.db2.gz SRPJTHZVGZUJIB-LLVKDONJSA-N -1 3 295.346 3.446 20 0 CGADHM CCc1cccc(C(=O)N2CC(C)(C)C[C@H]2C)c1[O-] ZINC000564544342 322033975 /nfs/dbraw/zinc/03/39/75/322033975.db2.gz ITTGDIQTTQMMMA-LLVKDONJSA-N -1 3 261.365 3.215 20 0 CGADHM CCc1cccc(C(=O)N2CC(C)(C)C[C@@H]2C)c1[O-] ZINC000564544343 322034211 /nfs/dbraw/zinc/03/42/11/322034211.db2.gz ITTGDIQTTQMMMA-NSHDSACASA-N -1 3 261.365 3.215 20 0 CGADHM Cc1nn(C(C)C)cc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000564583927 322035384 /nfs/dbraw/zinc/03/53/84/322035384.db2.gz HBTAXGAGRXXTKU-UHFFFAOYSA-N -1 3 293.754 3.384 20 0 CGADHM CCOCCN(Cc1ccc(C(=O)[O-])o1)CC1CCCC1 ZINC000564738468 322041107 /nfs/dbraw/zinc/04/11/07/322041107.db2.gz CGPKWOUPXAKQJW-UHFFFAOYSA-N -1 3 295.379 3.007 20 0 CGADHM Cc1ccc([C@@H]2C[C@H]2NC(=O)Cc2ccc([O-])c(F)c2)cc1 ZINC000565029988 322056253 /nfs/dbraw/zinc/05/62/53/322056253.db2.gz RAOMHPSWDHCHIW-GOEBONIOSA-N -1 3 299.345 3.055 20 0 CGADHM CCCN(C)[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC000565101407 322060073 /nfs/dbraw/zinc/06/00/73/322060073.db2.gz ITLUAFZCHCVXDI-NSHDSACASA-N -1 3 276.163 3.461 20 0 CGADHM C[C@H]1CCCN1Cc1c(Cl)cccc1C(=O)[O-] ZINC000565662888 322086014 /nfs/dbraw/zinc/08/60/14/322086014.db2.gz PSUNMDDVCXUSSH-VIFPVBQESA-N -1 3 253.729 3.023 20 0 CGADHM CC(=O)c1cccc(NC(=O)[C@H]2C[C@]2(C)C(C)C)c1[O-] ZINC000566281242 322113637 /nfs/dbraw/zinc/11/36/37/322113637.db2.gz PYLBBKLHTPDLBX-MLGOLLRUSA-N -1 3 275.348 3.216 20 0 CGADHM O=C([O-])c1occc1CN1CCC[C@@H](Cc2ccccc2)C1 ZINC000566743986 322136644 /nfs/dbraw/zinc/13/66/44/322136644.db2.gz VQNAVCLIWLXHSB-HNNXBMFYSA-N -1 3 299.370 3.433 20 0 CGADHM C[C@@]1(c2ccccc2)CCN(Cc2ccc(C(=O)[O-])o2)C1 ZINC000567116887 322150992 /nfs/dbraw/zinc/15/09/92/322150992.db2.gz PFRBWLDFJOCNPT-QGZVFWFLSA-N -1 3 285.343 3.141 20 0 CGADHM Cc1cc([C@@H](C)N(C)CCC2CC2)oc1C(=O)[O-] ZINC000567359353 322160549 /nfs/dbraw/zinc/16/05/49/322160549.db2.gz SCSABJZHTWZAPW-SNVBAGLBSA-N -1 3 251.326 3.079 20 0 CGADHM CCC[C@@H](C)C[C@H](NCc1ccc(OC)cc1F)C(=O)[O-] ZINC000567986615 322186919 /nfs/dbraw/zinc/18/69/19/322186919.db2.gz YXYLLCCLWLEHBH-ABAIWWIYSA-N -1 3 297.370 3.203 20 0 CGADHM CO[C@H]1CCCC[C@H]1C(=O)Nc1c([O-])cccc1Cl ZINC000568214492 322198809 /nfs/dbraw/zinc/19/88/09/322198809.db2.gz YRMHMCNRNXGOGM-SKDRFNHKSA-N -1 3 283.755 3.189 20 0 CGADHM C[C@@H]1CC[C@H](C(=O)[O-])[C@H](C)N1Cc1ccc(Cl)s1 ZINC000568290499 322203565 /nfs/dbraw/zinc/20/35/65/322203565.db2.gz KYKUQQOMHNMHDE-YWVKMMECSA-N -1 3 287.812 3.475 20 0 CGADHM O=C([O-])C1(CN(Cc2ccco2)Cc2cccs2)CC1 ZINC000568522134 322212728 /nfs/dbraw/zinc/21/27/28/322212728.db2.gz RDVBPTPWNQBHFB-UHFFFAOYSA-N -1 3 291.372 3.208 20 0 CGADHM CCCC[C@@H](C(=O)[O-])N1CCc2cc(Cl)ccc2C1 ZINC000568641483 322216956 /nfs/dbraw/zinc/21/69/56/322216956.db2.gz MOMVEZXVWPCSIE-AWEZNQCLSA-N -1 3 281.783 3.342 20 0 CGADHM CCc1cccc(-c2nc([C@](C)(CC)OC)no2)c1[O-] ZINC000569175011 322237893 /nfs/dbraw/zinc/23/78/93/322237893.db2.gz GZSFLPMNOUUTIU-HNNXBMFYSA-N -1 3 276.336 3.276 20 0 CGADHM Cc1cccc(CN(C)Cc2ccc(OCC(=O)[O-])cc2)c1 ZINC000569251532 322241044 /nfs/dbraw/zinc/24/10/44/322241044.db2.gz OYHHJJKDERWZHC-UHFFFAOYSA-N -1 3 299.370 3.090 20 0 CGADHM C[C@@H]1CC(C)(C)CN1Cc1ccc(F)cc1C(=O)[O-] ZINC000569733917 322255573 /nfs/dbraw/zinc/25/55/73/322255573.db2.gz SXYRDSXRJGCPAD-SNVBAGLBSA-N -1 3 265.328 3.144 20 0 CGADHM CC1(C)CCCN1CCOc1ccc(C(=O)[O-])cc1Cl ZINC000569856350 322258939 /nfs/dbraw/zinc/25/89/39/322258939.db2.gz HTRJPASUJSJWNQ-UHFFFAOYSA-N -1 3 297.782 3.291 20 0 CGADHM CCC1(CC)[C@H](OC)C[C@H]1N(C)Cc1ccc(C(=O)[O-])o1 ZINC000570221002 322268006 /nfs/dbraw/zinc/26/80/06/322268006.db2.gz YTZRIUNSWLSYEO-ZIAGYGMSSA-N -1 3 295.379 3.003 20 0 CGADHM CCC[C@H](CC)S(=O)(=O)[N-]c1cnc(C(C)(C)C)nc1 ZINC000570687785 322280074 /nfs/dbraw/zinc/28/00/74/322280074.db2.gz OZPDHLKVDHSOOV-LBPRGKRZSA-N -1 3 299.440 3.095 20 0 CGADHM CO[C@]1(C)C[C@@H](N(C)Cc2ccsc2C(=O)[O-])C1(C)C ZINC000571410649 322298202 /nfs/dbraw/zinc/29/82/02/322298202.db2.gz VGMAVZQZZUGSDK-IAQYHMDHSA-N -1 3 297.420 3.082 20 0 CGADHM CCc1occc1C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000571588438 322302658 /nfs/dbraw/zinc/30/26/58/322302658.db2.gz KJHLRQWNZLZLJK-UHFFFAOYSA-N -1 3 273.288 3.003 20 0 CGADHM Cc1ccc(C(=O)NC(C)(C)C(=O)c2ccccc2)c([O-])c1 ZINC000572049962 322317697 /nfs/dbraw/zinc/31/76/97/322317697.db2.gz WTVYOQJVKKYHCS-UHFFFAOYSA-N -1 3 297.354 3.092 20 0 CGADHM Cc1ccnc([C@H]2CCN(C(=O)c3cc(C)ccc3[O-])C2)c1 ZINC000572256233 322327935 /nfs/dbraw/zinc/32/79/35/322327935.db2.gz GJAWGBUWSSZJGD-AWEZNQCLSA-N -1 3 296.370 3.034 20 0 CGADHM O=C(CCCn1cccc1)Nc1c([O-])cccc1Cl ZINC000572267726 322328616 /nfs/dbraw/zinc/32/86/16/322328616.db2.gz WDMVTHVLVDTOFH-UHFFFAOYSA-N -1 3 278.739 3.266 20 0 CGADHM CCc1ccc([O-])c(-c2nc([C@@H](OC)C(C)C)no2)c1 ZINC000573407904 322386788 /nfs/dbraw/zinc/38/67/88/322386788.db2.gz BHSKLUBSRVUVGF-ZDUSSCGKSA-N -1 3 276.336 3.348 20 0 CGADHM Cc1ccc(OCCN(C)Cc2ccccc2C(=O)[O-])cc1 ZINC000584119035 327043077 /nfs/dbraw/zinc/04/30/77/327043077.db2.gz VKNZOZQQDIVEOQ-UHFFFAOYSA-N -1 3 299.370 3.204 20 0 CGADHM C[C@H](c1ccco1)N(CCCCCC(=O)[O-])C1CC1 ZINC000577117806 327078558 /nfs/dbraw/zinc/07/85/58/327078558.db2.gz AASDTWDJDGNGMZ-GFCCVEGCSA-N -1 3 265.353 3.450 20 0 CGADHM CCCCc1nc(CN2C[C@@H](C)[C@@](C)(C(=O)[O-])C2)cs1 ZINC000582127744 327350218 /nfs/dbraw/zinc/35/02/18/327350218.db2.gz HMWOOVXFXFCRNI-ABAIWWIYSA-N -1 3 296.436 3.028 20 0 CGADHM Cc1ccc([O-])c(-c2nc(CC3CCCC3)no2)c1 ZINC000393684798 329088750 /nfs/dbraw/zinc/08/87/50/329088750.db2.gz VBBXKBKKCVZWLS-UHFFFAOYSA-N -1 3 258.321 3.483 20 0 CGADHM Cc1ccc(C[C@@H](C)N(C)Cc2ccoc2C(=O)[O-])cc1 ZINC000582790858 329204420 /nfs/dbraw/zinc/20/44/20/329204420.db2.gz INMGBVAASRHWDL-CYBMUJFWSA-N -1 3 287.359 3.349 20 0 CGADHM Cc1cc(C)c(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)c(C)c1 ZINC000584420088 329465052 /nfs/dbraw/zinc/46/50/52/329465052.db2.gz YMCWTJVIFCEINY-UHFFFAOYSA-N -1 3 297.358 3.237 20 0 CGADHM C[C@@H]1C[C@H](c2ccccc2)CN1c1ccncc1C(=O)[O-] ZINC000583755173 329474175 /nfs/dbraw/zinc/47/41/75/329474175.db2.gz GVXJPUWITCCPBZ-OCCSQVGLSA-N -1 3 282.343 3.162 20 0 CGADHM O=C(COc1ccc(Cl)cc1)Nc1cc(F)ccc1[O-] ZINC000174871410 335168062 /nfs/dbraw/zinc/16/80/62/335168062.db2.gz LCCSEYHVYZGUEJ-UHFFFAOYSA-N -1 3 295.697 3.202 20 0 CGADHM CCc1ccc(OCC(=O)Nc2cc(F)ccc2[O-])cc1 ZINC000174875427 335168450 /nfs/dbraw/zinc/16/84/50/335168450.db2.gz LPWCATYZOPAMAQ-UHFFFAOYSA-N -1 3 289.306 3.111 20 0 CGADHM C[C@@H](C(=O)Nc1cc(F)ccc1[O-])n1cnc2ccccc21 ZINC000174888979 335168685 /nfs/dbraw/zinc/16/86/85/335168685.db2.gz UJYIRELNAWLYOK-JTQLQIEISA-N -1 3 299.305 3.081 20 0 CGADHM O=C(CCCOc1ccccc1)Nc1cc(F)ccc1[O-] ZINC000174898417 335168967 /nfs/dbraw/zinc/16/89/67/335168967.db2.gz YJFMTBMOOHTIQV-UHFFFAOYSA-N -1 3 289.306 3.329 20 0 CGADHM CC(=O)c1cccc(NC(=O)c2cc[nH]c2C2CCC2)c1[O-] ZINC000576469638 335208077 /nfs/dbraw/zinc/20/80/77/335208077.db2.gz XHNKKLKQVHHDHV-UHFFFAOYSA-N -1 3 298.342 3.443 20 0 CGADHM CCc1cccc(C(=O)N[C@@H]2CC23CCCC3)c1[O-] ZINC000576569840 335219814 /nfs/dbraw/zinc/21/98/14/335219814.db2.gz YMZXFKSYENXANP-CYBMUJFWSA-N -1 3 259.349 3.017 20 0 CGADHM Cc1ccc(NC(=O)c2cc(-c3ccco3)on2)c([O-])c1 ZINC000192813266 335306642 /nfs/dbraw/zinc/30/66/42/335306642.db2.gz UCQPEAVTGALJCU-UHFFFAOYSA-N -1 3 284.271 3.201 20 0 CGADHM CO[C@@H]1CCC[C@@H](c2nc(-c3ccc([O-])cc3)no2)C1 ZINC000350564202 335514290 /nfs/dbraw/zinc/51/42/90/335514290.db2.gz FRPLEAUCQAWTNU-DGCLKSJQSA-N -1 3 274.320 3.115 20 0 CGADHM COc1cc(-c2noc([C@@H](C)C(F)(F)F)n2)ccc1[O-] ZINC000350583912 335516682 /nfs/dbraw/zinc/51/66/82/335516682.db2.gz VKTKJDHLDKFWSP-ZCFIWIBFSA-N -1 3 288.225 3.117 20 0 CGADHM CCOc1cc(-c2noc(-c3ccoc3)n2)ccc1[O-] ZINC000350793670 335533841 /nfs/dbraw/zinc/53/38/41/335533841.db2.gz NKIQEWUPQCGYAZ-UHFFFAOYSA-N -1 3 272.260 3.101 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)C2C[C@@H](C)O[C@H](C)C2)c1[O-] ZINC000180007123 335540665 /nfs/dbraw/zinc/54/06/65/335540665.db2.gz LDCYKVLXRVSKCW-NXEZZACHSA-N -1 3 297.782 3.496 20 0 CGADHM C[C@H](CC(F)(F)F)C(=O)Nc1cccc([O-])c1F ZINC000578969921 335690533 /nfs/dbraw/zinc/69/05/33/335690533.db2.gz JWECWZNVJBSMJM-ZCFIWIBFSA-N -1 3 265.206 3.058 20 0 CGADHM Cc1noc([N-]Cc2ccc(-c3ccc(F)cc3)o2)n1 ZINC000181522450 335766829 /nfs/dbraw/zinc/76/68/29/335766829.db2.gz DQXLKQYNNFJXDA-UHFFFAOYSA-N -1 3 273.267 3.389 20 0 CGADHM Cc1cc(C(=O)Nc2c([O-])cccc2Cl)nn1C(C)C ZINC000579612299 335822341 /nfs/dbraw/zinc/82/23/41/335822341.db2.gz DQPUIHTWYBEARP-UHFFFAOYSA-N -1 3 293.754 3.384 20 0 CGADHM Cc1ccc(-c2nnc(NC(=O)[C@H]3CC[C@H](C)CC3)[n-]2)o1 ZINC000581197487 336023388 /nfs/dbraw/zinc/02/33/88/336023388.db2.gz AXWLBONXOCGIRK-HOMQSWHASA-N -1 3 288.351 3.138 20 0 CGADHM Cc1ccc(-c2n[n-]c(NC(=O)[C@H]3CC[C@H](C)CC3)n2)o1 ZINC000581197487 336023390 /nfs/dbraw/zinc/02/33/90/336023390.db2.gz AXWLBONXOCGIRK-HOMQSWHASA-N -1 3 288.351 3.138 20 0 CGADHM Cc1ccc(-c2nc(NC(=O)[C@H]3CC[C@H](C)CC3)n[n-]2)o1 ZINC000581197487 336023391 /nfs/dbraw/zinc/02/33/91/336023391.db2.gz AXWLBONXOCGIRK-HOMQSWHASA-N -1 3 288.351 3.138 20 0 CGADHM Cc1ccc(CC[C@H](C)NC(=O)c2ccccc2[O-])o1 ZINC000436583394 533827403 /nfs/dbraw/zinc/82/74/03/533827403.db2.gz JXWXCSKBYWKOAS-NSHDSACASA-N -1 3 273.332 3.045 20 0 CGADHM COC(=O)c1ccc(C(=O)[N-]c2cccc(Cl)c2F)o1 ZINC000152981175 534043230 /nfs/dbraw/zinc/04/32/30/534043230.db2.gz UUAVIVRTBFYLMN-UHFFFAOYSA-N -1 3 297.669 3.111 20 0 CGADHM COc1ccc([O-])c(-c2nc([C@H]3CCCS3)no2)c1 ZINC000161647049 534192688 /nfs/dbraw/zinc/19/26/88/534192688.db2.gz VXAQRTSHZKWVQI-LLVKDONJSA-N -1 3 278.333 3.019 20 0 CGADHM COc1ccc([O-])c(C(=O)N(C)[C@@H]2CCC(C)(C)C2)c1 ZINC000358069597 534194440 /nfs/dbraw/zinc/19/44/40/534194440.db2.gz YBPLIDZODZUEQK-LLVKDONJSA-N -1 3 277.364 3.052 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-]CCCCC(C)(C)C)o1 ZINC000358432694 534208741 /nfs/dbraw/zinc/20/87/41/534208741.db2.gz WYTLDTIXUKFBIC-UHFFFAOYSA-N -1 3 273.398 3.083 20 0 CGADHM Cc1ccc(C(=O)NCCc2ccc(F)cc2)c([O-])c1C ZINC000436624967 534266362 /nfs/dbraw/zinc/26/63/62/534266362.db2.gz LAQBITVXNCHLGJ-UHFFFAOYSA-N -1 3 287.334 3.121 20 0 CGADHM COC(=O)c1cnc(SC[C@H]2C[C@@H]2c2ccccc2)[n-]1 ZINC000359156247 534307493 /nfs/dbraw/zinc/30/74/93/534307493.db2.gz DHXAKKUADUDBGA-VXGBXAGGSA-N -1 3 288.372 3.092 20 0 CGADHM COC(=O)c1cnc(SC[C@@H]2C[C@@H]2c2ccccc2)[n-]1 ZINC000359156243 534307614 /nfs/dbraw/zinc/30/76/14/534307614.db2.gz DHXAKKUADUDBGA-NWDGAFQWSA-N -1 3 288.372 3.092 20 0 CGADHM O=C(CCC1CCC1)Nc1n[n-]c(-c2ccccc2F)n1 ZINC000175260434 534327740 /nfs/dbraw/zinc/32/77/40/534327740.db2.gz FLNWELOAOKFLPA-UHFFFAOYSA-N -1 3 288.326 3.130 20 0 CGADHM [O-]c1cc(F)cc(CN[C@@H]2C[C@@]2(F)c2ccccc2)c1 ZINC000424204884 534447789 /nfs/dbraw/zinc/44/77/89/534447789.db2.gz VRFHJJIVJZIUQL-HZPDHXFCSA-N -1 3 275.298 3.258 20 0 CGADHM [O-]c1ccc(-c2noc(/C=C/c3ccco3)n2)cc1 ZINC000436768984 534452041 /nfs/dbraw/zinc/45/20/41/534452041.db2.gz MFSNPDPBBWVULL-BQYQJAHWSA-N -1 3 254.245 3.206 20 0 CGADHM CCCOc1ccc(NC(=O)[N-]OCC)cc1OCCC ZINC000183876439 520396039 /nfs/dbraw/zinc/39/60/39/520396039.db2.gz VACWHEIZXMFFNU-UHFFFAOYSA-N -1 3 296.367 3.337 20 0 CGADHM O=C([O-])[C@@H](NC/C=C\c1ccc(F)cc1)c1cccs1 ZINC000426790347 534514055 /nfs/dbraw/zinc/51/40/55/534514055.db2.gz CUFOTNPALXVKJY-VXYRWZGASA-N -1 3 291.347 3.316 20 0 CGADHM O=C([O-])[C@@H]1CC[C@H](NCc2cc(Cl)sc2Cl)C1 ZINC000424608643 534525184 /nfs/dbraw/zinc/52/51/84/534525184.db2.gz BBKYROZVAWBZQR-SVRRBLITSA-N -1 3 294.203 3.398 20 0 CGADHM CCCCn1cc(C(=O)Nc2ccc(C)cc2[O-])c(C)n1 ZINC000184740353 521388106 /nfs/dbraw/zinc/38/81/06/521388106.db2.gz FJCXSACHXZTZAX-UHFFFAOYSA-N -1 3 287.363 3.258 20 0 CGADHM CCCc1nc(C[S@@](=O)c2cccc([O-])c2)cs1 ZINC000184036177 521526048 /nfs/dbraw/zinc/52/60/48/521526048.db2.gz OACNMYNHIYPVPY-GOSISDBHSA-N -1 3 281.402 3.109 20 0 CGADHM Cc1cccc(C(=O)N2CC(C3CCCCC3)C2)c1[O-] ZINC000436728206 534587138 /nfs/dbraw/zinc/58/71/38/534587138.db2.gz IWQUPKCXXXRITQ-UHFFFAOYSA-N -1 3 273.376 3.353 20 0 CGADHM Cc1cccc(C(=O)NC[C@@H](c2cccnc2)C(C)C)c1[O-] ZINC000175268806 534606967 /nfs/dbraw/zinc/60/69/67/534606967.db2.gz BSMXLCQNBFNNNL-MRXNPFEDSA-N -1 3 298.386 3.265 20 0 CGADHM Cc1cccc(C(=O)N[C@@H](C)c2c(F)cccc2F)c1[O-] ZINC000436753697 534615650 /nfs/dbraw/zinc/61/56/50/534615650.db2.gz FKBHOBWURYMOIE-JTQLQIEISA-N -1 3 291.297 3.470 20 0 CGADHM Cc1cccc(C(=O)N[C@@H](c2ccccc2)C(F)F)c1[O-] ZINC000436889654 534617234 /nfs/dbraw/zinc/61/72/34/534617234.db2.gz WVPLXOTXQURLLK-ZDUSSCGKSA-N -1 3 291.297 3.437 20 0 CGADHM CN(CCCC(=O)[O-])Cc1ccc(F)c(C(F)(F)F)c1 ZINC000164095872 522725574 /nfs/dbraw/zinc/72/55/74/522725574.db2.gz NOLLGNXEHKMUGN-UHFFFAOYSA-N -1 3 293.260 3.141 20 0 CGADHM O=C(c1ccccc1[O-])N1CC[C@](F)(c2ccccc2)C1 ZINC000374525668 534749758 /nfs/dbraw/zinc/74/97/58/534749758.db2.gz ZFCBIYNCIRJQQK-QGZVFWFLSA-N -1 3 285.318 3.103 20 0 CGADHM O=C(N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1ccc(O)cc1[O-] ZINC000436764465 534763376 /nfs/dbraw/zinc/76/33/76/534763376.db2.gz QYVICIIORHIOHT-YNEHKIRRSA-N -1 3 289.375 3.187 20 0 CGADHM Cc1ccc(CN[C@H](C(=O)[O-])c2ccccc2)cc1F ZINC000110976671 524602713 /nfs/dbraw/zinc/60/27/13/524602713.db2.gz KXICIWUGAQVYDP-HNNXBMFYSA-N -1 3 273.307 3.050 20 0 CGADHM Cc1cc(CCCC(=O)[N-]OC/C=C/Cl)c(C)s1 ZINC000291689751 524635488 /nfs/dbraw/zinc/63/54/88/524635488.db2.gz BHTVKJFMXLSPGQ-QPJJXVBHSA-N -1 3 287.812 3.488 20 0 CGADHM CC(C)(C)[C@@H]1CCCN1C(=O)Cc1ccc([O-])c(F)c1 ZINC000448909107 526654158 /nfs/dbraw/zinc/65/41/58/526654158.db2.gz LDLABPIABAWRCY-AWEZNQCLSA-N -1 3 279.355 3.111 20 0 CGADHM O=S(=O)([N-]C[C@@H]1CC=CCC1)c1ccc(Cl)s1 ZINC000049282566 527223806 /nfs/dbraw/zinc/22/38/06/527223806.db2.gz ROHUVBFITONKND-SECBINFHSA-N -1 3 291.825 3.036 20 0 CGADHM CC(=O)c1ccc(C(=O)N[C@H]2CCC[C@H](C)CC2)cc1[O-] ZINC000412278335 527265822 /nfs/dbraw/zinc/26/58/22/527265822.db2.gz ONUSEGDRTKOYFW-FZMZJTMJSA-N -1 3 289.375 3.293 20 0 CGADHM CC(=O)c1ccc(C(=O)Nc2ccc(C)c(F)c2)cc1[O-] ZINC000436863400 527266514 /nfs/dbraw/zinc/26/65/14/527266514.db2.gz KFDIQHUNSLYFDI-UHFFFAOYSA-N -1 3 287.290 3.295 20 0 CGADHM O=[S@](Cc1cccc(OC(F)F)c1)c1ccc([O-])cc1 ZINC000108085166 527429282 /nfs/dbraw/zinc/42/92/82/527429282.db2.gz NIXBAAAXFZBROQ-FQEVSTJZSA-N -1 3 298.310 3.301 20 0 CGADHM O=C([N-]c1n[nH]c(C2CCC2)n1)c1cc2ccccc2o1 ZINC000184562513 527495410 /nfs/dbraw/zinc/49/54/10/527495410.db2.gz HCINVNGZDUZHTN-UHFFFAOYSA-N -1 3 282.303 3.071 20 0 CGADHM CC(C)CCCCC(=O)N=c1cc(-c2cccnc2)[n-][nH]1 ZINC000411742905 527702823 /nfs/dbraw/zinc/70/28/23/527702823.db2.gz HKXDBTQQVSLWIO-UHFFFAOYSA-N -1 3 286.379 3.049 20 0 CGADHM CCC[C@@H]1CCCN(C(=O)c2ccc(OC)cc2[O-])C1 ZINC000155321856 527748983 /nfs/dbraw/zinc/74/89/83/527748983.db2.gz WICHRTBQWKWWEC-GFCCVEGCSA-N -1 3 277.364 3.053 20 0 CGADHM CCC[C@@H]1SCCN1C(=O)c1ccc([O-])c(CC)c1 ZINC000436698428 527873539 /nfs/dbraw/zinc/87/35/39/527873539.db2.gz MLVMGYIPKZIVQA-AWEZNQCLSA-N -1 3 279.405 3.270 20 0 CGADHM CCO[C@H](Cc1nc(-c2ccc([O-])cc2)no1)C(C)C ZINC000436857154 528058913 /nfs/dbraw/zinc/05/89/13/528058913.db2.gz CIDLLSWDAOQVEI-CYBMUJFWSA-N -1 3 276.336 3.046 20 0 CGADHM CC(C)c1ccc(C(=O)N2C[C@@H](C)O[C@H](C)[C@H]2C)c([O-])c1 ZINC000438396184 528066889 /nfs/dbraw/zinc/06/68/89/528066889.db2.gz MWFNFDGUSCOMPI-JHJVBQTASA-N -1 3 291.391 3.154 20 0 CGADHM CC1CCC(C)([N-]S(=O)(=O)c2ccccc2F)CC1 ZINC000355949655 528174018 /nfs/dbraw/zinc/17/40/18/528174018.db2.gz BEPRZHGOPIEKFC-UHFFFAOYSA-N -1 3 285.384 3.073 20 0 CGADHM CCN(CC1CCC1)C(=O)c1ccc(C)c(C)c1[O-] ZINC000436919838 528345713 /nfs/dbraw/zinc/34/57/13/528345713.db2.gz MUXNXWOZTSOKPV-UHFFFAOYSA-N -1 3 261.365 3.271 20 0 CGADHM CCOc1ccc(CN(C)C(=O)c2ccc([O-])c(C)c2)cc1 ZINC000436899859 528429953 /nfs/dbraw/zinc/42/99/53/528429953.db2.gz GFJZQXJXGVIYPH-UHFFFAOYSA-N -1 3 299.370 3.372 20 0 CGADHM CCCCOc1ccc(C(=O)N2CC=C(C)CC2)c([O-])c1 ZINC000436979530 528658498 /nfs/dbraw/zinc/65/84/98/528658498.db2.gz MHQNYDOLPDRSDW-UHFFFAOYSA-N -1 3 289.375 3.363 20 0 CGADHM CCCCOc1ccc(C(=O)N[C@@H](C)CSC)c([O-])c1 ZINC000436990198 528666235 /nfs/dbraw/zinc/66/62/35/528666235.db2.gz PMKSYHLYBAZNRM-NSHDSACASA-N -1 3 297.420 3.052 20 0 CGADHM CCCCOc1ccc(NCc2nc(C)ccc2[O-])cn1 ZINC000358451411 528686274 /nfs/dbraw/zinc/68/62/74/528686274.db2.gz VRHBUJPLSHZAEI-UHFFFAOYSA-N -1 3 287.363 3.282 20 0 CGADHM CCC1(CC)CN(C(=O)c2ccc(C)c(C)c2[O-])C1 ZINC000436995070 529075886 /nfs/dbraw/zinc/07/58/86/529075886.db2.gz GUODPTXTWRVSNG-UHFFFAOYSA-N -1 3 261.365 3.271 20 0 CGADHM CC[C@H](Oc1ccccc1C)C(=O)Nc1ccccc1[O-] ZINC000175008599 529165906 /nfs/dbraw/zinc/16/59/06/529165906.db2.gz WEKRMDASWBDWNO-HNNXBMFYSA-N -1 3 285.343 3.497 20 0 CGADHM CCS[C@@H]1CC[C@@H](N(C)C(=O)c2cc(C)ccc2[O-])C1 ZINC000175393325 529218974 /nfs/dbraw/zinc/21/89/74/529218974.db2.gz CRGOLIACHQBBSK-CHWSQXEVSA-N -1 3 293.432 3.447 20 0 CGADHM CC[C@H]1CC[C@H](NC(=O)c2ccc([O-])c(OC)c2)CC1 ZINC000436890047 529256848 /nfs/dbraw/zinc/25/68/48/529256848.db2.gz BWZHJGLXFJHGMP-AULYBMBSSA-N -1 3 277.364 3.099 20 0 CGADHM CC[C@H]1CC[C@H](NC(=O)c2cccc(OC)c2[O-])CC1 ZINC000436890048 529257099 /nfs/dbraw/zinc/25/70/99/529257099.db2.gz BXEKNYLYGXRCOR-HAQNSBGRSA-N -1 3 277.364 3.099 20 0 CGADHM CC[C@@H](C(=O)[O-])N1CCC[C@H]1c1ccc(C)s1 ZINC000358350703 529294984 /nfs/dbraw/zinc/29/49/84/529294984.db2.gz DXQVDPOZWGFPJC-QWRGUYRKSA-N -1 3 253.367 3.057 20 0 CGADHM CC[C@@H]1CC[C@@H](C)N1C(=O)Cc1ccc([O-])cc1Cl ZINC000357974354 529336570 /nfs/dbraw/zinc/33/65/70/529336570.db2.gz NHEXJSOFULPAFQ-ZYHUDNBSSA-N -1 3 281.783 3.378 20 0 CGADHM CC(C)(CF)[N-]S(=O)(=O)c1ccc2ccccc2c1F ZINC000451418130 535065507 /nfs/dbraw/zinc/06/55/07/535065507.db2.gz LPDFWJRTXJLPPX-UHFFFAOYSA-N -1 3 299.342 3.005 20 0 CGADHM CC(C)(C)c1ccc(NC(=O)/C=C\[C@H]2CCOC2)c([O-])c1 ZINC000493510779 535117976 /nfs/dbraw/zinc/11/79/76/535117976.db2.gz HOXORSJFGVYHEG-KMSCOEIWSA-N -1 3 289.375 3.221 20 0 CGADHM CC[C@@H](NC(=O)NCc1ccc([O-])c(F)c1)C1CCCC1 ZINC000455507679 535795026 /nfs/dbraw/zinc/79/50/26/535795026.db2.gz DGRYXDFNQOIKLN-CQSZACIVSA-N -1 3 294.370 3.299 20 0 CGADHM CCc1[n-][nH]c(=NC(=O)c2csc3cc(C)ccc23)c1C ZINC000479984422 535983702 /nfs/dbraw/zinc/98/37/02/535983702.db2.gz DYBMHETYMRPKOY-UHFFFAOYSA-N -1 3 299.399 3.478 20 0 CGADHM CCc1cc(C(=O)NCCOC2CCCCC2)ccc1[O-] ZINC000485874817 536121578 /nfs/dbraw/zinc/12/15/78/536121578.db2.gz NYVVXENTMUGMFV-UHFFFAOYSA-N -1 3 291.391 3.034 20 0 CGADHM CCc1cc(C(=O)N[C@H]2CC3CCC2CC3)ccc1[O-] ZINC000483471477 536131955 /nfs/dbraw/zinc/13/19/55/536131955.db2.gz FFBVFKRYDQYCFQ-HGMXIMQMSA-N -1 3 273.376 3.263 20 0 CGADHM CCc1cc(C(=O)Nc2cc(F)cc(F)c2)ccc1[O-] ZINC000485523214 536133271 /nfs/dbraw/zinc/13/32/71/536133271.db2.gz QLSGCFGJDKZEDC-UHFFFAOYSA-N -1 3 277.270 3.485 20 0 CGADHM CCc1ccc(C(=O)N(C)[C@@H](C)c2ccncc2)c([O-])c1 ZINC000190564628 536164757 /nfs/dbraw/zinc/16/47/57/536164757.db2.gz ICEDGTYPUVRPBI-LBPRGKRZSA-N -1 3 284.359 3.183 20 0 CGADHM CCN(C)c1ccccc1CNC(=O)c1cccc(C)c1[O-] ZINC000730286871 572335576 /nfs/dbraw/zinc/33/55/76/572335576.db2.gz AMFGJMLFGWODPV-UHFFFAOYSA-N -1 3 298.386 3.087 20 0 CGADHM Cc1ccc(CNc2cc(Cl)ccc2-c2nnn[n-]2)cc1 ZINC000737340691 572338252 /nfs/dbraw/zinc/33/82/52/572338252.db2.gz BIUPMBPSGZOOCE-UHFFFAOYSA-N -1 3 299.765 3.441 20 0 CGADHM Cc1ccc(CNc2cc(Cl)ccc2-c2nn[n-]n2)cc1 ZINC000737340691 572338254 /nfs/dbraw/zinc/33/82/54/572338254.db2.gz BIUPMBPSGZOOCE-UHFFFAOYSA-N -1 3 299.765 3.441 20 0 CGADHM Cc1cccc([C@H](C)CNc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737391212 572339639 /nfs/dbraw/zinc/33/96/39/572339639.db2.gz YCAPXUNTZHCGEY-CYBMUJFWSA-N -1 3 293.374 3.391 20 0 CGADHM Cc1cccc([C@H](C)CNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737391212 572339641 /nfs/dbraw/zinc/33/96/41/572339641.db2.gz YCAPXUNTZHCGEY-CYBMUJFWSA-N -1 3 293.374 3.391 20 0 CGADHM Clc1cc(-c2nnn[n-]2)cnc1NC1CCCCCC1 ZINC000737557204 572348094 /nfs/dbraw/zinc/34/80/94/572348094.db2.gz DBSZTDBFWVZCHX-UHFFFAOYSA-N -1 3 292.774 3.050 20 0 CGADHM Clc1cc(-c2nn[n-]n2)cnc1NC1CCCCCC1 ZINC000737557204 572348100 /nfs/dbraw/zinc/34/81/00/572348100.db2.gz DBSZTDBFWVZCHX-UHFFFAOYSA-N -1 3 292.774 3.050 20 0 CGADHM Clc1cc(-c2nnn[n-]2)cnc1Sc1cccs1 ZINC000737558197 572348426 /nfs/dbraw/zinc/34/84/26/572348426.db2.gz LTOZNUBEHDXFOU-UHFFFAOYSA-N -1 3 295.780 3.128 20 0 CGADHM Clc1cc(-c2nn[n-]n2)cnc1Sc1cccs1 ZINC000737558197 572348429 /nfs/dbraw/zinc/34/84/29/572348429.db2.gz LTOZNUBEHDXFOU-UHFFFAOYSA-N -1 3 295.780 3.128 20 0 CGADHM Clc1cc(NC2CCCCC2)ccc1-c1nnn[n-]1 ZINC000737564659 572348952 /nfs/dbraw/zinc/34/89/52/572348952.db2.gz JDMWOFFANNILHN-UHFFFAOYSA-N -1 3 277.759 3.265 20 0 CGADHM Clc1cc(NC2CCCCC2)ccc1-c1nn[n-]n1 ZINC000737564659 572348956 /nfs/dbraw/zinc/34/89/56/572348956.db2.gz JDMWOFFANNILHN-UHFFFAOYSA-N -1 3 277.759 3.265 20 0 CGADHM COc1ccc([C@H](NCc2cc(C)cc(C)c2)C(=O)[O-])cc1 ZINC000737973484 572371286 /nfs/dbraw/zinc/37/12/86/572371286.db2.gz QEPACWLEBMZMCG-KRWDZBQOSA-N -1 3 299.370 3.228 20 0 CGADHM C[C@@H](NC(=O)[O-])C1CCN(c2ccnc3ccccc32)CC1 ZINC000739018159 572398539 /nfs/dbraw/zinc/39/85/39/572398539.db2.gz WPVDNMNNTQDCOJ-GFCCVEGCSA-N -1 3 299.374 3.107 20 0 CGADHM C[C@H](NC[C@H]1CCCN(C(=O)[O-])C1)c1cc(F)ccc1F ZINC000739036276 572399479 /nfs/dbraw/zinc/39/94/79/572399479.db2.gz RYJRKGXJURWEPF-WDEREUQCSA-N -1 3 298.333 3.005 20 0 CGADHM C[C@@H](NC[C@H]1CCCN(C(=O)[O-])C1)c1ccccc1Cl ZINC000739032674 572411878 /nfs/dbraw/zinc/41/18/78/572411878.db2.gz FDEYBWZDNDCOPY-VXGBXAGGSA-N -1 3 296.798 3.381 20 0 CGADHM C[C@H](NCCNC(=O)[O-])c1cc2cc(Cl)ccc2o1 ZINC000739037278 572415747 /nfs/dbraw/zinc/41/57/47/572415747.db2.gz WYSKXDFDFBYUNJ-QMMMGPOBSA-N -1 3 282.727 3.004 20 0 CGADHM O=C([O-])N1CCC[C@@H]1CNCc1csc2ccccc12 ZINC000740520658 572444616 /nfs/dbraw/zinc/44/46/16/572444616.db2.gz MBAXKFOJVZXAEJ-GFCCVEGCSA-N -1 3 290.388 3.133 20 0 CGADHM CC(C)c1ocnc1C(=O)[N-]c1cc(F)c(F)cc1F ZINC000731991557 572444820 /nfs/dbraw/zinc/44/48/20/572444820.db2.gz QUPWXGOFFSTWBV-UHFFFAOYSA-N -1 3 284.237 3.468 20 0 CGADHM Cc1cccc(-c2nc(COCc3ccccc3)no2)c1[O-] ZINC000395533636 572479666 /nfs/dbraw/zinc/47/96/66/572479666.db2.gz RDACFYYNRVCOQZ-UHFFFAOYSA-N -1 3 296.326 3.467 20 0 CGADHM CC(C)c1cc(=NC(=O)c2cc([O-])c3ccccc3c2)[nH][nH]1 ZINC000438919927 572546760 /nfs/dbraw/zinc/54/67/60/572546760.db2.gz QSRCMAZODZVDAJ-UHFFFAOYSA-N -1 3 295.342 3.066 20 0 CGADHM C[C@@H](OC(=O)c1cc(-c2cccs2)[n-]n1)c1cccnc1 ZINC000733451279 572577996 /nfs/dbraw/zinc/57/79/96/572577996.db2.gz ZTLSKUMCKDFXBG-SNVBAGLBSA-N -1 3 299.355 3.451 20 0 CGADHM C[C@@H](OC(=O)c1cc(-c2cccs2)n[n-]1)c1cccnc1 ZINC000733451279 572578000 /nfs/dbraw/zinc/57/80/00/572578000.db2.gz ZTLSKUMCKDFXBG-SNVBAGLBSA-N -1 3 299.355 3.451 20 0 CGADHM CC(=CC(=O)Nc1n[n-]c(-c2cccs2)n1)C(C)(C)C ZINC000742629816 572601637 /nfs/dbraw/zinc/60/16/37/572601637.db2.gz FMNBNLQRVMBIFQ-HJWRWDBZSA-N -1 3 290.392 3.464 20 0 CGADHM CS[C@@H]1CC[C@H](NC(=O)c2ccc(C)c(C)c2[O-])C1 ZINC000743727465 572681432 /nfs/dbraw/zinc/68/14/32/572681432.db2.gz BUOMPUBPSVMTOQ-NWDGAFQWSA-N -1 3 279.405 3.023 20 0 CGADHM CC(C)(C)CNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000735619074 572735280 /nfs/dbraw/zinc/73/52/80/572735280.db2.gz SRGGHKDVVRPHTK-UHFFFAOYSA-N -1 3 299.300 3.344 20 0 CGADHM CC(C)(C)CNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000735619074 572735287 /nfs/dbraw/zinc/73/52/87/572735287.db2.gz SRGGHKDVVRPHTK-UHFFFAOYSA-N -1 3 299.300 3.344 20 0 CGADHM Cc1csc(COC(=O)c2cc3ccsc3[n-]2)n1 ZINC000744310710 572737987 /nfs/dbraw/zinc/73/79/87/572737987.db2.gz ZDCOUUSISGFORA-UHFFFAOYSA-N -1 3 278.358 3.351 20 0 CGADHM CC(C)[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000735748480 572740058 /nfs/dbraw/zinc/74/00/58/572740058.db2.gz JNOBPJSJFQFMIS-ZDUSSCGKSA-N -1 3 285.395 3.129 20 0 CGADHM CC(C)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735748480 572740062 /nfs/dbraw/zinc/74/00/62/572740062.db2.gz JNOBPJSJFQFMIS-ZDUSSCGKSA-N -1 3 285.395 3.129 20 0 CGADHM CC(C)[C@H]1CCCCN1c1cccc(F)c1-c1nnn[n-]1 ZINC000735750037 572740591 /nfs/dbraw/zinc/74/05/91/572740591.db2.gz PAIIJPXZASYGMH-GFCCVEGCSA-N -1 3 289.358 3.021 20 0 CGADHM CC(C)[C@H]1CCCCN1c1cccc(F)c1-c1nn[n-]n1 ZINC000735750037 572740595 /nfs/dbraw/zinc/74/05/95/572740595.db2.gz PAIIJPXZASYGMH-GFCCVEGCSA-N -1 3 289.358 3.021 20 0 CGADHM C[C@@H]1CC(Nc2ccc(-c3nnn[n-]3)cc2)C[C@@H](C)C1 ZINC000736222821 572773591 /nfs/dbraw/zinc/77/35/91/572773591.db2.gz FYICFZRIJXDHJO-QWRGUYRKSA-N -1 3 271.368 3.103 20 0 CGADHM C[C@@H]1CC(Nc2ccc(-c3nn[n-]n3)cc2)C[C@@H](C)C1 ZINC000736222821 572773592 /nfs/dbraw/zinc/77/35/92/572773592.db2.gz FYICFZRIJXDHJO-QWRGUYRKSA-N -1 3 271.368 3.103 20 0 CGADHM C[C@@H]1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)cc2)[C@@H]1C ZINC000736247568 572777506 /nfs/dbraw/zinc/77/75/06/572777506.db2.gz ACXOAAVUVDREMT-JTNHKYCSSA-N -1 3 271.368 3.103 20 0 CGADHM C[C@@H]1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)cc2)[C@@H]1C ZINC000736247568 572777507 /nfs/dbraw/zinc/77/75/07/572777507.db2.gz ACXOAAVUVDREMT-JTNHKYCSSA-N -1 3 271.368 3.103 20 0 CGADHM CC(C)=CCN[C@@H](C(=O)[O-])c1ccc(Br)cc1 ZINC000736343267 572782951 /nfs/dbraw/zinc/78/29/51/572782951.db2.gz BDONHWIYAUNIHY-GFCCVEGCSA-N -1 3 298.180 3.131 20 0 CGADHM CCCCCSCCOc1ccccc1-c1nnn[n-]1 ZINC000736451341 572794362 /nfs/dbraw/zinc/79/43/62/572794362.db2.gz KXBQKYMFLSIKNF-UHFFFAOYSA-N -1 3 292.408 3.169 20 0 CGADHM CCCCCSCCOc1ccccc1-c1nn[n-]n1 ZINC000736451341 572794370 /nfs/dbraw/zinc/79/43/70/572794370.db2.gz KXBQKYMFLSIKNF-UHFFFAOYSA-N -1 3 292.408 3.169 20 0 CGADHM C[C@@H](N[C@H]1CCCN(C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000736662726 572803541 /nfs/dbraw/zinc/80/35/41/572803541.db2.gz SIYWWLQXZXXQEV-MFKMUULPSA-N -1 3 282.771 3.133 20 0 CGADHM CN(c1ccc(-c2nnn[n-]2)c(Cl)c1)C1CCCCC1 ZINC000736841286 572820823 /nfs/dbraw/zinc/82/08/23/572820823.db2.gz DIFBOTIBXFJBGE-UHFFFAOYSA-N -1 3 291.786 3.289 20 0 CGADHM CN(c1ccc(-c2nn[n-]n2)c(Cl)c1)C1CCCCC1 ZINC000736841286 572820828 /nfs/dbraw/zinc/82/08/28/572820828.db2.gz DIFBOTIBXFJBGE-UHFFFAOYSA-N -1 3 291.786 3.289 20 0 CGADHM CN(c1cc(Cl)ccc1-c1nnn[n-]1)C1CCCCC1 ZINC000736842707 572820978 /nfs/dbraw/zinc/82/09/78/572820978.db2.gz VGESMSJPIRKNAZ-UHFFFAOYSA-N -1 3 291.786 3.289 20 0 CGADHM CN(c1cc(Cl)ccc1-c1nn[n-]n1)C1CCCCC1 ZINC000736842707 572820980 /nfs/dbraw/zinc/82/09/80/572820980.db2.gz VGESMSJPIRKNAZ-UHFFFAOYSA-N -1 3 291.786 3.289 20 0 CGADHM CSc1cccc(NCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737192254 572865309 /nfs/dbraw/zinc/86/53/09/572865309.db2.gz SJYMNGDWDLZMPC-UHFFFAOYSA-N -1 3 297.387 3.201 20 0 CGADHM CSc1cccc(NCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737192254 572865311 /nfs/dbraw/zinc/86/53/11/572865311.db2.gz SJYMNGDWDLZMPC-UHFFFAOYSA-N -1 3 297.387 3.201 20 0 CGADHM CS/C=C\C(=O)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000747149998 572913064 /nfs/dbraw/zinc/91/30/64/572913064.db2.gz NKOGXBFRKHUYGD-SREVYHEPSA-N -1 3 291.294 3.130 20 0 CGADHM C[C@H](COC(=O)c1cc(-c2ccco2)n[n-]1)C(F)(F)F ZINC000748239520 572969821 /nfs/dbraw/zinc/96/98/21/572969821.db2.gz ORMQYANVSFEMRF-SSDOTTSWSA-N -1 3 288.225 3.025 20 0 CGADHM C[C@H](COC(=O)c1cc(-c2ccco2)[n-]n1)C(F)(F)F ZINC000748239520 572969823 /nfs/dbraw/zinc/96/98/23/572969823.db2.gz ORMQYANVSFEMRF-SSDOTTSWSA-N -1 3 288.225 3.025 20 0 CGADHM O=C(Cc1coc2cc(F)ccc12)[N-]OCc1ccccc1 ZINC000748286256 572972158 /nfs/dbraw/zinc/97/21/58/572972158.db2.gz QQILIRDYAZUPGZ-UHFFFAOYSA-N -1 3 299.301 3.362 20 0 CGADHM Cc1ccc([C@H]([N-]C(=O)C(F)(F)C(F)F)C2CC2)cc1 ZINC000749338837 572992304 /nfs/dbraw/zinc/99/23/04/572992304.db2.gz SYSXUYFORZJCKF-NSHDSACASA-N -1 3 289.272 3.463 20 0 CGADHM O=C(CCc1cccc(F)c1F)[N-]OCc1ccccc1 ZINC000749838017 573043912 /nfs/dbraw/zinc/04/39/12/573043912.db2.gz KNDKAPHEIUZNIU-UHFFFAOYSA-N -1 3 291.297 3.145 20 0 CGADHM C/C(=C\C(=O)[N-]OCC(C)C)c1ccccc1OC(F)F ZINC000750027514 573074907 /nfs/dbraw/zinc/07/49/07/573074907.db2.gz MEOXEGFVTMGWCR-DHZHZOJOSA-N -1 3 299.317 3.395 20 0 CGADHM CC(C)CON=C([O-])N1CC2(CCC2)c2c1cccc2F ZINC000750491399 573138709 /nfs/dbraw/zinc/13/87/09/573138709.db2.gz TZJHSOLIFLEZGI-UHFFFAOYSA-N -1 3 292.354 3.365 20 0 CGADHM CC(C)CO[N-]C(=O)N1CC2(CCC2)c2c1cccc2F ZINC000750491399 573138714 /nfs/dbraw/zinc/13/87/14/573138714.db2.gz TZJHSOLIFLEZGI-UHFFFAOYSA-N -1 3 292.354 3.365 20 0 CGADHM CC[C@]1(C)CCCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000820949867 599089927 /nfs/dbraw/zinc/08/99/27/599089927.db2.gz GTHRYSAHMWSJQU-OAHLLOKOSA-N -1 3 289.358 3.022 20 0 CGADHM CC[C@]1(C)CCCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000820949867 599089929 /nfs/dbraw/zinc/08/99/29/599089929.db2.gz GTHRYSAHMWSJQU-OAHLLOKOSA-N -1 3 289.358 3.022 20 0 CGADHM CC(C)[C@@H](NCc1cccc(C(=O)[O-])c1)c1cccnc1 ZINC000819961688 598192197 /nfs/dbraw/zinc/19/21/97/598192197.db2.gz ARYJEENFXLAFRU-MRXNPFEDSA-N -1 3 284.359 3.267 20 0 CGADHM Clc1cc(NCCc2ccccc2)ccc1-c1nnn[n-]1 ZINC000737567210 598274115 /nfs/dbraw/zinc/27/41/15/598274115.db2.gz YLYBISIJTOYXLL-UHFFFAOYSA-N -1 3 299.765 3.175 20 0 CGADHM Clc1cc(NCCc2ccccc2)ccc1-c1nn[n-]n1 ZINC000737567210 598274117 /nfs/dbraw/zinc/27/41/17/598274117.db2.gz YLYBISIJTOYXLL-UHFFFAOYSA-N -1 3 299.765 3.175 20 0 CGADHM CC(C)Cc1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000095199731 598299698 /nfs/dbraw/zinc/29/96/98/598299698.db2.gz RCLQCCWNNFBEFL-UHFFFAOYSA-N -1 3 285.376 3.189 20 0 CGADHM CC(C)Cc1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000095199731 598299700 /nfs/dbraw/zinc/29/97/00/598299700.db2.gz RCLQCCWNNFBEFL-UHFFFAOYSA-N -1 3 285.376 3.189 20 0 CGADHM C[C@H]1CCC[C@@H](N(C)c2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000820698321 599470694 /nfs/dbraw/zinc/47/06/94/599470694.db2.gz SSUMBABHQATUMD-CMPLNLGQSA-N -1 3 289.358 3.021 20 0 CGADHM C[C@H]1CCC[C@@H](N(C)c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000820698321 599470697 /nfs/dbraw/zinc/47/06/97/599470697.db2.gz SSUMBABHQATUMD-CMPLNLGQSA-N -1 3 289.358 3.021 20 0 CGADHM C[C@H]1CCCN(c2c(Cl)cccc2-c2nnn[n-]2)CC1 ZINC000820711446 599503074 /nfs/dbraw/zinc/50/30/74/599503074.db2.gz ZFOVGEFKJPXFKT-JTQLQIEISA-N -1 3 291.786 3.147 20 0 CGADHM C[C@H]1CCCN(c2c(Cl)cccc2-c2nn[n-]n2)CC1 ZINC000820711446 599503076 /nfs/dbraw/zinc/50/30/76/599503076.db2.gz ZFOVGEFKJPXFKT-JTQLQIEISA-N -1 3 291.786 3.147 20 0 CGADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cc1F)C1CCCCC1 ZINC000820455046 599578252 /nfs/dbraw/zinc/57/82/52/599578252.db2.gz BLYOHZMCNCEULZ-SNVBAGLBSA-N -1 3 289.358 3.387 20 0 CGADHM O=C([O-])c1ccc2c(c1)CN(CCc1cccs1)C2 ZINC000131277885 600087184 /nfs/dbraw/zinc/08/71/84/600087184.db2.gz UJWJGAQLUZYMJL-UHFFFAOYSA-N -1 3 273.357 3.005 20 0 CGADHM O=C([O-])[C@@H](NCCC(F)(F)F)c1cccc(Cl)c1 ZINC000833165546 600761180 /nfs/dbraw/zinc/76/11/80/600761180.db2.gz CBZVYFZPICYATH-VIFPVBQESA-N -1 3 281.661 3.008 20 0 CGADHM O=C([O-])c1ccc(CNC2(c3ccccc3)CC2)s1 ZINC000833314001 601951176 /nfs/dbraw/zinc/95/11/76/601951176.db2.gz DMHOXXBNFTZSFM-UHFFFAOYSA-N -1 3 273.357 3.225 20 0 CGADHM CC(C)(CC(=O)[O-])NCc1csc(C2CCCC2)n1 ZINC000826538214 602258555 /nfs/dbraw/zinc/25/85/55/602258555.db2.gz KZPLOZAMIOUNMI-UHFFFAOYSA-N -1 3 282.409 3.144 20 0 CGADHM Fc1ccc(C=CC=Cc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000826374072 607647120 /nfs/dbraw/zinc/64/71/20/607647120.db2.gz KIMAWZJTBXTIFG-ZPUQHVIOSA-N -1 3 293.305 3.127 20 0 CGADHM Fc1ccc(C=CC=Cc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000826374072 607647123 /nfs/dbraw/zinc/64/71/23/607647123.db2.gz KIMAWZJTBXTIFG-ZPUQHVIOSA-N -1 3 293.305 3.127 20 0 CGADHM O=C([O-])N1CCc2cccc(CNCc3ccccc3)c21 ZINC000832086266 603847747 /nfs/dbraw/zinc/84/77/47/603847747.db2.gz CXODYPRGXICJMQ-UHFFFAOYSA-N -1 3 282.343 3.017 20 0 CGADHM C[C@H](NCC[C@H]1CCN(C(=O)[O-])C1)c1cc(F)ccc1F ZINC000825490616 604288507 /nfs/dbraw/zinc/28/85/07/604288507.db2.gz NBSJERWDWDEBRQ-QWRGUYRKSA-N -1 3 298.333 3.005 20 0 CGADHM O=C([O-])CCCN(C/C=C/Cl)Cc1ccccc1 ZINC000833225736 604786604 /nfs/dbraw/zinc/78/66/04/604786604.db2.gz MBZYOWFRGKOCCF-WEVVVXLNSA-N -1 3 267.756 3.106 20 0 CGADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2cccc(F)c2F)C1 ZINC000135025700 604943659 /nfs/dbraw/zinc/94/36/59/604943659.db2.gz RMPKHJXMAJEJET-GFCCVEGCSA-N -1 3 297.345 3.288 20 0 CGADHM Cc1ccc([C@@H](C)N[C@@H](C(=O)[O-])c2cccnc2)c(C)c1 ZINC000832921199 604995318 /nfs/dbraw/zinc/99/53/18/604995318.db2.gz NQVAEOMFMADASJ-CZUORRHYSA-N -1 3 284.359 3.175 20 0 CGADHM CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000135045268 605547255 /nfs/dbraw/zinc/54/72/55/605547255.db2.gz WDEAONABXWZPDL-NSHDSACASA-N -1 3 297.345 3.288 20 0 CGADHM Cc1ccc([C@H](C)Nc2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000822229457 606733395 /nfs/dbraw/zinc/73/33/95/606733395.db2.gz VFAWULBAOHHNIE-NSHDSACASA-N -1 3 297.337 3.487 20 0 CGADHM CSCCCS[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821971084 606849825 /nfs/dbraw/zinc/84/98/25/606849825.db2.gz XHIZBZOKPSNMHC-SNVBAGLBSA-N -1 3 294.449 3.414 20 0 CGADHM CSCCCS[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821971084 606849827 /nfs/dbraw/zinc/84/98/27/606849827.db2.gz XHIZBZOKPSNMHC-SNVBAGLBSA-N -1 3 294.449 3.414 20 0 CGADHM Cc1cccc(C)c1CNc1ccc(-c2nn[n-]n2)cc1F ZINC000822293956 607038337 /nfs/dbraw/zinc/03/83/37/607038337.db2.gz RKGVAWXJNKSKBS-UHFFFAOYSA-N -1 3 297.337 3.235 20 0 CGADHM c1c2ccccc2oc1COc1ccc(-c2nn[n-]n2)cc1 ZINC000823801802 607133790 /nfs/dbraw/zinc/13/37/90/607133790.db2.gz BTVWDZRLRSLHGH-UHFFFAOYSA-N -1 3 292.298 3.192 20 0 CGADHM CCCCSc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000825296761 608146095 /nfs/dbraw/zinc/14/60/95/608146095.db2.gz VGHOQRPDOSSKKN-UHFFFAOYSA-N -1 3 268.773 3.412 20 0 CGADHM CCCCSc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000825296761 608146096 /nfs/dbraw/zinc/14/60/96/608146096.db2.gz VGHOQRPDOSSKKN-UHFFFAOYSA-N -1 3 268.773 3.412 20 0 CGADHM C[C@@H]1CCC[C@H]1Nc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000824936875 608226824 /nfs/dbraw/zinc/22/68/24/608226824.db2.gz MPVDCPYACSAZAS-ZWNOBZJWSA-N -1 3 294.362 3.015 20 0 CGADHM C[C@@H]1CCC[C@H]1Nc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000824936875 608226825 /nfs/dbraw/zinc/22/68/25/608226825.db2.gz MPVDCPYACSAZAS-ZWNOBZJWSA-N -1 3 294.362 3.015 20 0 CGADHM CC[C@@H](C)[C@@H](C)Nc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000825059089 608228107 /nfs/dbraw/zinc/22/81/07/608228107.db2.gz CUUNFUZTPABJPH-GHMZBOCLSA-N -1 3 296.378 3.261 20 0 CGADHM CC[C@@H](C)[C@@H](C)Nc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000825059089 608228108 /nfs/dbraw/zinc/22/81/08/608228108.db2.gz CUUNFUZTPABJPH-GHMZBOCLSA-N -1 3 296.378 3.261 20 0 CGADHM COc1cc(-c2nnn[n-]2)ccc1CSc1ccccc1 ZINC000826173573 608261069 /nfs/dbraw/zinc/26/10/69/608261069.db2.gz KDRJYVMUEOVRAU-UHFFFAOYSA-N -1 3 298.371 3.168 20 0 CGADHM COc1cc(-c2nn[n-]n2)ccc1CSc1ccccc1 ZINC000826173573 608261070 /nfs/dbraw/zinc/26/10/70/608261070.db2.gz KDRJYVMUEOVRAU-UHFFFAOYSA-N -1 3 298.371 3.168 20 0 CGADHM Cc1ccc([C@H](C)Nc2cnccc2-c2nnn[n-]2)c(C)c1 ZINC000826282995 608777279 /nfs/dbraw/zinc/77/72/79/608777279.db2.gz HXJCAAFSNYAMEO-LBPRGKRZSA-N -1 3 294.362 3.052 20 0 CGADHM Cc1ccc([C@H](C)Nc2cnccc2-c2nn[n-]n2)c(C)c1 ZINC000826282995 608777282 /nfs/dbraw/zinc/77/72/82/608777282.db2.gz HXJCAAFSNYAMEO-LBPRGKRZSA-N -1 3 294.362 3.052 20 0 CGADHM Cc1ccc(CNc2cccc(-c3nnn[n-]3)c2C)s1 ZINC000826288853 609486593 /nfs/dbraw/zinc/48/65/93/609486593.db2.gz ZDVAHXRSSWMLJO-UHFFFAOYSA-N -1 3 285.376 3.157 20 0 CGADHM Cc1ccc(CNc2cccc(-c3nn[n-]n3)c2C)s1 ZINC000826288853 609486595 /nfs/dbraw/zinc/48/65/95/609486595.db2.gz ZDVAHXRSSWMLJO-UHFFFAOYSA-N -1 3 285.376 3.157 20 0 CGADHM Cc1ccc(CC(=O)[N-]OCc2cc(F)ccc2F)cc1 ZINC000177577792 617935484 /nfs/dbraw/zinc/93/54/84/617935484.db2.gz CYHDOCNVEVPTOP-UHFFFAOYSA-N -1 3 291.297 3.064 20 0 CGADHM CC(C)c1cc(C(=O)[N-]c2ccnc(Cl)c2F)no1 ZINC000891510262 618234376 /nfs/dbraw/zinc/23/43/76/618234376.db2.gz ZUKOXYWWICZQNM-UHFFFAOYSA-N -1 3 283.690 3.238 20 0 CGADHM CC[C@@H](CC(=O)[N-]OCc1cccnc1)C(C)(C)C ZINC000866864461 618499536 /nfs/dbraw/zinc/49/95/36/618499536.db2.gz ROWAOYIRYQNOIY-ZDUSSCGKSA-N -1 3 264.369 3.092 20 0 CGADHM CCO[N-]C(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000066312778 618839881 /nfs/dbraw/zinc/83/98/81/618839881.db2.gz LOZMXJWMMOGWOG-SECBINFHSA-N -1 3 275.270 3.267 20 0 CGADHM O=C([N-]CC(c1ccccc1)c1ccccc1)C(F)(F)F ZINC000166218349 618903319 /nfs/dbraw/zinc/90/33/19/618903319.db2.gz AROLBSOPOGMTJW-UHFFFAOYSA-N -1 3 293.288 3.497 20 0 CGADHM CCc1ccccc1CSCc1nc(C)cc(=O)[n-]1 ZINC000783580860 618913276 /nfs/dbraw/zinc/91/32/76/618913276.db2.gz HWRNCRKUIMOROF-UHFFFAOYSA-N -1 3 274.389 3.486 20 0 CGADHM O=C(NCc1ccc([O-])c(F)c1)N1CC[C@@H]1C1CCCC1 ZINC000893113486 618997955 /nfs/dbraw/zinc/99/79/55/618997955.db2.gz JGVIJXYYCSFEDY-CQSZACIVSA-N -1 3 292.354 3.005 20 0 CGADHM CCO[N-]C(=O)CCCc1ccc2ccccc2c1 ZINC000179698580 619009943 /nfs/dbraw/zinc/00/99/43/619009943.db2.gz DFSOJZIIJPEMGM-UHFFFAOYSA-N -1 3 257.333 3.230 20 0 CGADHM CC(C)(C)CCCC(=O)[N-]OCCC(F)(F)F ZINC000162595713 619114594 /nfs/dbraw/zinc/11/45/94/619114594.db2.gz IGIPALSSAQRUCU-UHFFFAOYSA-N -1 3 255.280 3.203 20 0 CGADHM Cc1ccc(C(=O)Nc2ccc(Cl)nc2C)c([O-])c1 ZINC000192474442 619118539 /nfs/dbraw/zinc/11/85/39/619118539.db2.gz STHIWGUOWBBZCH-UHFFFAOYSA-N -1 3 276.723 3.310 20 0 CGADHM CCc1ccc([O-])c(C(=O)N(CC(C)(C)C)OC)c1 ZINC000804586638 619398968 /nfs/dbraw/zinc/39/89/68/619398968.db2.gz LEYBMCPLOFGCPC-UHFFFAOYSA-N -1 3 265.353 3.004 20 0 CGADHM [O-]c1ccc(CNC2(C(F)F)CCCC2)cc1F ZINC000894527507 619563544 /nfs/dbraw/zinc/56/35/44/619563544.db2.gz XKMUIGSFECVSMS-UHFFFAOYSA-N -1 3 259.271 3.199 20 0 CGADHM O=C(CC1CC(c2ccccc2)C1)[N-]OCc1ccccn1 ZINC000909541816 620081725 /nfs/dbraw/zinc/08/17/25/620081725.db2.gz OYOIBIXPSGZHEV-UHFFFAOYSA-N -1 3 296.370 3.213 20 0 CGADHM Cn1ncc(C=Cc2cc(=O)[n-]c(C(C)(C)C)n2)c1Cl ZINC000840718887 620180821 /nfs/dbraw/zinc/18/08/21/620180821.db2.gz GSXPEQATDODFCI-AATRIKPKSA-N -1 3 292.770 3.037 20 0 CGADHM C[C@H]([N-]c1nnc(C(F)F)o1)c1cnn(CC2CCC2)c1 ZINC000897369768 620265237 /nfs/dbraw/zinc/26/52/37/620265237.db2.gz JTHAJENOZXEMCE-QMMMGPOBSA-N -1 3 297.309 3.177 20 0 CGADHM C[C@H]1[C@@H](C(F)(F)F)CCN1Cc1ccc(C(=O)[O-])cc1 ZINC000263447663 620319699 /nfs/dbraw/zinc/31/96/99/620319699.db2.gz YIDFKBSBKUTXBH-CABZTGNLSA-N -1 3 287.281 3.158 20 0 CGADHM CSCCCCCCC(=O)[N-]OCc1cccc(C)n1 ZINC000898929567 620609328 /nfs/dbraw/zinc/60/93/28/620609328.db2.gz WFZAGAZCAOADIJ-UHFFFAOYSA-N -1 3 296.436 3.251 20 0 CGADHM CCOCc1nnc([N-][C@H](CC)c2cccs2)o1 ZINC000901409216 620878589 /nfs/dbraw/zinc/87/85/89/620878589.db2.gz VNBAYTGWZJIUKI-SECBINFHSA-N -1 3 267.354 3.231 20 0 CGADHM O=C([O-])CC1CCN(C/C=C\c2ccc(F)cc2)CC1 ZINC000901421034 620882866 /nfs/dbraw/zinc/88/28/66/620882866.db2.gz ZKYKRDDUAARJLR-UPHRSURJSA-N -1 3 277.339 3.026 20 0 CGADHM Cc1cccc2[nH]c(CN3CCC4(C[C@H]4C(=O)[O-])CC3)cc21 ZINC000901501439 620903302 /nfs/dbraw/zinc/90/33/02/620903302.db2.gz WKVNQVZYAOADPV-HNNXBMFYSA-N -1 3 298.386 3.163 20 0 CGADHM Cc1ccncc1CN[C@@H](CCC(=O)[O-])c1ccccc1 ZINC000901650235 620966381 /nfs/dbraw/zinc/96/63/81/620966381.db2.gz JPURYCOIYDYRRZ-INIZCTEOSA-N -1 3 284.359 3.086 20 0 CGADHM CC(C)[C@H]1C[C@H](NCc2ccc(C(=O)[O-])cc2F)CS1 ZINC000901754111 621013062 /nfs/dbraw/zinc/01/30/62/621013062.db2.gz APGBBZGPRYIMOL-GXTWGEPZSA-N -1 3 297.395 3.144 20 0 CGADHM Cc1ccc(CN2CC3(CCC3)[C@](F)(C(=O)[O-])C2)c(C)c1 ZINC000901914326 621062485 /nfs/dbraw/zinc/06/24/85/621062485.db2.gz HPPNHKRWCJJJGV-QGZVFWFLSA-N -1 3 291.366 3.082 20 0 CGADHM CC(C)(C)c1nc(CN[C@](C)(CC(=O)[O-])C2CC2)cs1 ZINC000901950338 621075755 /nfs/dbraw/zinc/07/57/55/621075755.db2.gz LGOUWLLVOWEHBU-OAHLLOKOSA-N -1 3 296.436 3.174 20 0 CGADHM CC(C)(CCN[C@H](c1ccco1)c1ccccc1)C(=O)[O-] ZINC000902083535 621129257 /nfs/dbraw/zinc/12/92/57/621129257.db2.gz YVCVFVYSKOXLHU-HNNXBMFYSA-N -1 3 287.359 3.460 20 0 CGADHM Cc1ccc(SCCNCc2ccc(C(=O)[O-])o2)cc1 ZINC000902142579 621169125 /nfs/dbraw/zinc/16/91/25/621169125.db2.gz IJIGXBNXUDUBQO-UHFFFAOYSA-N -1 3 291.372 3.168 20 0 CGADHM CC[C@](C)(NCc1ccc(C(=O)[O-])o1)c1ccccc1 ZINC000902236809 621206447 /nfs/dbraw/zinc/20/64/47/621206447.db2.gz YMMUZKYYQPHWOU-INIZCTEOSA-N -1 3 273.332 3.393 20 0 CGADHM CCO[C@H]1C[C@@H](NCc2cc(C(=O)[O-])co2)C1(CC)CC ZINC000902395044 621303625 /nfs/dbraw/zinc/30/36/25/621303625.db2.gz BSZKKUVHQBJMLY-KGLIPLIRSA-N -1 3 295.379 3.051 20 0 CGADHM CC(C)CN(Cc1cccc(C(=O)[O-])c1)Cc1ccccn1 ZINC000903419996 621749755 /nfs/dbraw/zinc/74/97/55/621749755.db2.gz CZFZUFDSPXALLH-UHFFFAOYSA-N -1 3 298.386 3.438 20 0 CGADHM O=C([O-])[C@H]1c2ccoc2CCN1CC[C@H]1CCCC1(F)F ZINC000903606579 621770327 /nfs/dbraw/zinc/77/03/27/621770327.db2.gz LCASMQWBIZRKII-ZWNOBZJWSA-N -1 3 299.317 3.089 20 0 CGADHM Cc1cc([C@H](C)N2CCC[C@@H](CF)C2)oc1C(=O)[O-] ZINC000903608570 621771683 /nfs/dbraw/zinc/77/16/83/621771683.db2.gz XAWWYEXSURKKDB-QWRGUYRKSA-N -1 3 269.316 3.029 20 0 CGADHM CC[C@@H](C)[C@@H](C(=O)[O-])N1CCc2sc(Cl)cc2C1 ZINC000903596529 621773971 /nfs/dbraw/zinc/77/39/71/621773971.db2.gz PDURZKKTSPYVNU-PELKAZGASA-N -1 3 287.812 3.259 20 0 CGADHM O=C([O-])c1occc1CN1C[C@@H]2CC[C@H]1c1ccccc12 ZINC000903621504 621776039 /nfs/dbraw/zinc/77/60/39/621776039.db2.gz XSQFELMZHUEDCD-NHYWBVRUSA-N -1 3 283.327 3.412 20 0 CGADHM O=C([O-])c1ccc(CN2CC(C3CCCC3)C2)s1 ZINC000903690672 621789444 /nfs/dbraw/zinc/78/94/44/621789444.db2.gz NNINHCXTFISGOK-UHFFFAOYSA-N -1 3 265.378 3.068 20 0 CGADHM COc1cccc(CNCc2ccc(C(=O)[O-])s2)c1C ZINC000903692917 621789530 /nfs/dbraw/zinc/78/95/30/621789530.db2.gz RXEUCPHCUPSNSO-UHFFFAOYSA-N -1 3 291.372 3.053 20 0 CGADHM Cc1cc(C)cc([C@@H](NCc2ccc(C)nc2C)C(=O)[O-])c1 ZINC000905390349 622065038 /nfs/dbraw/zinc/06/50/38/622065038.db2.gz HPTHNAWWKPSGTI-QGZVFWFLSA-N -1 3 298.386 3.231 20 0 CGADHM O=C([O-])c1ccc(CN[C@H](c2ccccc2)C2CC2)nc1 ZINC000905718785 622098266 /nfs/dbraw/zinc/09/82/66/622098266.db2.gz NEAWEATZWRQLLX-MRXNPFEDSA-N -1 3 282.343 3.021 20 0 CGADHM CC(C)(C)NC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000905843793 622119834 /nfs/dbraw/zinc/11/98/34/622119834.db2.gz JUHYPDNHHZAHHD-UHFFFAOYSA-N -1 3 299.396 3.018 20 0 CGADHM C[C@H](c1noc(-c2cc(=O)[n-]c(C3CC3)n2)n1)C(C)(C)C ZINC000906100336 622145664 /nfs/dbraw/zinc/14/56/64/622145664.db2.gz CISIJKIVKSNIKU-MRVPVSSYSA-N -1 3 288.351 3.259 20 0 CGADHM CC(=O)c1cccc(NC(=O)/C(F)=C(\C)C2CC2)c1[O-] ZINC000908207003 622334785 /nfs/dbraw/zinc/33/47/85/622334785.db2.gz DPTUKNAGSJYQLD-JYRVWZFOSA-N -1 3 277.295 3.187 20 0 CGADHM COc1cccc([O-])c1C(=O)N1CCC[C@@H](C2CCC2)C1 ZINC000912700645 622690269 /nfs/dbraw/zinc/69/02/69/622690269.db2.gz IUUOCRILSUZZRS-CYBMUJFWSA-N -1 3 289.375 3.053 20 0 CGADHM O=C(OCc1ccccc1)c1cc(-c2ccco2)[n-]n1 ZINC000913298914 622754712 /nfs/dbraw/zinc/75/47/12/622754712.db2.gz SGYCRJCFGKTMBX-UHFFFAOYSA-N -1 3 268.272 3.027 20 0 CGADHM O=C(OCc1ccccc1)c1cc(-c2ccco2)n[n-]1 ZINC000913298914 622754719 /nfs/dbraw/zinc/75/47/19/622754719.db2.gz SGYCRJCFGKTMBX-UHFFFAOYSA-N -1 3 268.272 3.027 20 0 CGADHM CCC1CCC(=NNC(=O)c2ccc(C)cc2[O-])CC1 ZINC000054885451 622800606 /nfs/dbraw/zinc/80/06/06/622800606.db2.gz WMTQJYXPSUZJJR-UHFFFAOYSA-N -1 3 274.364 3.387 20 0 CGADHM [O-]c1ccc(CN2CCCc3ccccc32)cc1F ZINC000232449542 623384998 /nfs/dbraw/zinc/38/49/98/623384998.db2.gz SGVMTIJELCYPCJ-UHFFFAOYSA-N -1 3 257.308 3.484 20 0 CGADHM C[C@@H](CC(C)(C)C)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC000314986460 623665709 /nfs/dbraw/zinc/66/57/09/623665709.db2.gz PUQPCBPUWKQRQP-IUCAKERBSA-N -1 3 270.398 3.317 20 0 CGADHM Cc1ccc2[nH]cc(CCC(=O)[N-]OCC(C)C)c2c1 ZINC000153409581 623876277 /nfs/dbraw/zinc/87/62/77/623876277.db2.gz YNHLJFXBYSKCPL-UHFFFAOYSA-N -1 3 274.364 3.113 20 0 CGADHM CC[C@H](NC(=O)c1ccccc1[O-])c1ccccc1OC ZINC000915162363 623907001 /nfs/dbraw/zinc/90/70/01/623907001.db2.gz HXICNAGEFOFYDR-AWEZNQCLSA-N -1 3 285.343 3.282 20 0 CGADHM CC[C@@]1(C(=O)[O-])CCCN(Cc2ccc(C)c(Cl)n2)C1 ZINC000923469103 626156225 /nfs/dbraw/zinc/15/62/25/626156225.db2.gz HFMFIXSZONXCDX-OAHLLOKOSA-N -1 3 296.798 3.120 20 0 CGADHM CC(C)(C)CCOC(=O)Cc1ccc([O-])c(F)c1 ZINC000838141663 626196666 /nfs/dbraw/zinc/19/66/66/626196666.db2.gz IWUFONLCBJDIPV-UHFFFAOYSA-N -1 3 254.301 3.053 20 0 CGADHM CC(C)CCCOC(=O)Cc1ccc([O-])c(F)c1 ZINC000838146853 626197150 /nfs/dbraw/zinc/19/71/50/626197150.db2.gz VWWNBYVGAXDGSK-UHFFFAOYSA-N -1 3 254.301 3.053 20 0 CGADHM O=C(Cc1c[nH]c2cc(F)ccc12)[N-]OCc1ccccc1 ZINC000751303394 626384515 /nfs/dbraw/zinc/38/45/15/626384515.db2.gz QJGPZUCYKRPPFR-UHFFFAOYSA-N -1 3 298.317 3.098 20 0 CGADHM CCSc1ccc(CC(=O)[N-]OCC(C)C)cc1 ZINC000752148954 626420176 /nfs/dbraw/zinc/42/01/76/626420176.db2.gz NHIHVOSYLGNSKN-UHFFFAOYSA-N -1 3 267.394 3.045 20 0 CGADHM CCC[C@H](NC(=O)c1ccc(N)cc1[O-])c1ccccc1 ZINC000752716314 626435632 /nfs/dbraw/zinc/43/56/32/626435632.db2.gz JURFRWBTVJEZFB-HNNXBMFYSA-N -1 3 284.359 3.246 20 0 CGADHM CCCCCC[C@@H](C)[N-]S(=O)(=O)c1cnc(C)s1 ZINC000754791005 626587788 /nfs/dbraw/zinc/58/77/88/626587788.db2.gz DULACJOHKULNRX-SNVBAGLBSA-N -1 3 290.454 3.089 20 0 CGADHM CC(=O)c1ccc(C(=O)N2CCCCCCCC2)cc1[O-] ZINC000839785884 626788529 /nfs/dbraw/zinc/78/85/29/626788529.db2.gz MBXBXTWOBBAQBW-UHFFFAOYSA-N -1 3 289.375 3.391 20 0 CGADHM CC[C@@H](C)N(OC)C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000758359085 626838744 /nfs/dbraw/zinc/83/87/44/626838744.db2.gz AWCNLXILBBQGIF-LLVKDONJSA-N -1 3 277.364 3.073 20 0 CGADHM CSc1nsc([N-]C(=O)c2cc(Cl)cs2)n1 ZINC000760787300 626992251 /nfs/dbraw/zinc/99/22/51/626992251.db2.gz KUZDBTWJOXTSJZ-UHFFFAOYSA-N -1 3 291.810 3.227 20 0 CGADHM O=C(/C=C/c1ccc(O)cc1)Nc1ccc(Cl)cc1[O-] ZINC000764277111 627202326 /nfs/dbraw/zinc/20/23/26/627202326.db2.gz HQQIVJJNFTUEPR-FPYGCLRLSA-N -1 3 289.718 3.403 20 0 CGADHM O=c1ccnc(C=Cc2cnc(C3CCC3)s2)[n-]1 ZINC000764434527 627207316 /nfs/dbraw/zinc/20/73/16/627207316.db2.gz KBHKSAJYRLADFO-PLNGDYQASA-N -1 3 259.334 3.077 20 0 CGADHM O=C(Cc1csc2ccccc12)[N-]OCC(F)(F)F ZINC000766764305 627358878 /nfs/dbraw/zinc/35/88/78/627358878.db2.gz ZHYVFUVUGYYNRG-UHFFFAOYSA-N -1 3 289.278 3.054 20 0 CGADHM CCCC(=CC(=O)[N-]O[C@H]1CCCCO1)CCC ZINC000770727410 627639606 /nfs/dbraw/zinc/63/96/06/627639606.db2.gz ZRKOYFIRCMEWTR-AWEZNQCLSA-N -1 3 255.358 3.087 20 0 CGADHM O=C(Oc1ccc2cncnc2c1)c1cc2ccsc2[n-]1 ZINC000772805997 627824555 /nfs/dbraw/zinc/82/45/55/627824555.db2.gz MCILYXFMIRGAKW-UHFFFAOYSA-N -1 3 295.323 3.392 20 0 CGADHM O=C(C[C@H]1CCOc2ccccc21)[N-]Oc1ccccc1 ZINC000773460053 627885736 /nfs/dbraw/zinc/88/57/36/627885736.db2.gz FHIWUGAIMVALPB-CYBMUJFWSA-N -1 3 283.327 3.053 20 0 CGADHM O=C(OCc1ncc(C2CC2)o1)c1cccc(Cl)c1[O-] ZINC000775932625 628150608 /nfs/dbraw/zinc/15/06/08/628150608.db2.gz BGRZPQNMVCDYFZ-UHFFFAOYSA-N -1 3 293.706 3.268 20 0 CGADHM O=C(Cc1c[nH]c2cc(F)ccc12)[N-]OC1CCCCC1 ZINC000777960371 628314798 /nfs/dbraw/zinc/31/47/98/628314798.db2.gz FDNJRTADGDPXHP-UHFFFAOYSA-N -1 3 290.338 3.230 20 0 CGADHM CC(C)[C@H]1C[C@@H](CC(=O)[N-]Oc2ccccc2F)CCO1 ZINC000874910498 634649757 /nfs/dbraw/zinc/64/97/57/634649757.db2.gz SJBDFPQPWFMHFL-SWLSCSKDSA-N -1 3 295.354 3.077 20 0 CGADHM CC(C)(CC(=O)[N-]Oc1ccccc1F)C1CC1 ZINC000874911888 634650513 /nfs/dbraw/zinc/65/05/13/634650513.db2.gz XPIXKKLHLGKFKK-UHFFFAOYSA-N -1 3 251.301 3.062 20 0 CGADHM C[C@H](OC(=O)c1cnn[n-]1)c1ccc(Cl)c(Cl)c1 ZINC000805607184 628350471 /nfs/dbraw/zinc/35/04/71/628350471.db2.gz SLOYTWWBQNCJMR-LURJTMIESA-N -1 3 286.118 3.030 20 0 CGADHM C[C@H](OC(=O)c1c[n-]nn1)c1ccc(Cl)c(Cl)c1 ZINC000805607184 628350472 /nfs/dbraw/zinc/35/04/72/628350472.db2.gz SLOYTWWBQNCJMR-LURJTMIESA-N -1 3 286.118 3.030 20 0 CGADHM CC[C@@](C)(NC(=O)c1cccc2n[n-]nc21)c1ccccc1 ZINC000783614924 628732004 /nfs/dbraw/zinc/73/20/04/628732004.db2.gz RQIDRHRIBQMQNC-QGZVFWFLSA-N -1 3 294.358 3.013 20 0 CGADHM Cc1ccc(OCCOC(=O)c2cc3occc3[n-]2)cc1 ZINC000786031885 628909065 /nfs/dbraw/zinc/90/90/65/628909065.db2.gz SLQFGGJGSYHXSV-UHFFFAOYSA-N -1 3 285.299 3.305 20 0 CGADHM O=C(OCC[C@@H]1CCCO1)c1cc2sccc2c([O-])c1 ZINC000786140062 628916571 /nfs/dbraw/zinc/91/65/71/628916571.db2.gz NHMSUPBYGIAAKR-NSHDSACASA-N -1 3 292.356 3.333 20 0 CGADHM CCc1ccc(C(=O)N(CC)CCc2ccccn2)c([O-])c1 ZINC000786817243 628965160 /nfs/dbraw/zinc/96/51/60/628965160.db2.gz SVHGTPLNJAYZTR-UHFFFAOYSA-N -1 3 298.386 3.054 20 0 CGADHM O=C(NCc1cccc(F)n1)c1cc([O-])c2ccccc2c1 ZINC000792274086 629353435 /nfs/dbraw/zinc/35/34/35/629353435.db2.gz RZZOHUBIBQXBQF-UHFFFAOYSA-N -1 3 296.301 3.010 20 0 CGADHM Cc1cccc(Cl)c1CC(=O)[N-]OCc1ccccc1 ZINC000792578151 629368193 /nfs/dbraw/zinc/36/81/93/629368193.db2.gz YEVNYFKQKSTXSX-UHFFFAOYSA-N -1 3 289.762 3.439 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)Cc1cccc(Cl)c1F ZINC000794851699 629588533 /nfs/dbraw/zinc/58/85/33/629588533.db2.gz HVMNGDYWFMJMGK-VIFPVBQESA-N -1 3 273.735 3.116 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)CCc1cncc2ccccc21 ZINC000794854906 629589509 /nfs/dbraw/zinc/58/95/09/629589509.db2.gz TWYLMKGPLNXAFZ-CYBMUJFWSA-N -1 3 286.375 3.261 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)Cc1ccc(-n2cccc2)cc1 ZINC000794862748 629591007 /nfs/dbraw/zinc/59/10/07/629591007.db2.gz FSPJMYNYLAPMFK-AWEZNQCLSA-N -1 3 286.375 3.114 20 0 CGADHM CCN(C[C@@H](C)OC)C(=O)c1cc2sccc2c([O-])c1 ZINC000795051832 629628677 /nfs/dbraw/zinc/62/86/77/629628677.db2.gz UFXZUDDFHHWRTF-SNVBAGLBSA-N -1 3 293.388 3.104 20 0 CGADHM O=C([N-]O[C@@H]1CCCCO1)[C@@H]1CCC[C@@H]2CCCC[C@H]12 ZINC000795897219 629724332 /nfs/dbraw/zinc/72/43/32/629724332.db2.gz RWWDTVLLDSRCER-BYNSBNAKSA-N -1 3 281.396 3.167 20 0 CGADHM O=[S@@](CC1CC2(CCC2)C1)c1ccc([O-])cc1 ZINC000864471562 629838944 /nfs/dbraw/zinc/83/89/44/629838944.db2.gz FKAMCHSTUJFPIL-KRWDZBQOSA-N -1 3 250.363 3.080 20 0 CGADHM O=C(C[C@@H]1CCC(F)(F)C1)[N-]OC1CCCCC1 ZINC000797993593 630013320 /nfs/dbraw/zinc/01/33/20/630013320.db2.gz AJRYWMQMZJBEKQ-JTQLQIEISA-N -1 3 261.312 3.192 20 0 CGADHM Cc1cc(=O)[n-]c(CSC[C@@H]2CCC(F)(F)C2)n1 ZINC000865279108 630045829 /nfs/dbraw/zinc/04/58/29/630045829.db2.gz RIFUMIDGMDDFSB-SECBINFHSA-N -1 3 274.336 3.159 20 0 CGADHM CCC[C@H](C)CC(=O)[N-]OCc1ccccc1OC ZINC000799092040 630141011 /nfs/dbraw/zinc/14/10/11/630141011.db2.gz YUCGCCFPXKGICO-LBPRGKRZSA-N -1 3 265.353 3.069 20 0 CGADHM CCc1ccccc1COC(=O)c1cc(F)cc2[n-]nnc21 ZINC000800264132 630256374 /nfs/dbraw/zinc/25/63/74/630256374.db2.gz WIYFEROHLDGWCH-UHFFFAOYSA-N -1 3 299.305 3.016 20 0 CGADHM CCc1ccccc1COC(=O)c1cc(F)cc2nn[n-]c21 ZINC000800264132 630256376 /nfs/dbraw/zinc/25/63/76/630256376.db2.gz WIYFEROHLDGWCH-UHFFFAOYSA-N -1 3 299.305 3.016 20 0 CGADHM CCc1ccccc1COC(=O)c1cc(F)cc2n[n-]nc21 ZINC000800264132 630256382 /nfs/dbraw/zinc/25/63/82/630256382.db2.gz WIYFEROHLDGWCH-UHFFFAOYSA-N -1 3 299.305 3.016 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2cncc3ccccc23)n1 ZINC000806574436 630568428 /nfs/dbraw/zinc/56/84/28/630568428.db2.gz PSCHGLPESYEYEN-VOTSOKGWSA-N -1 3 263.300 3.209 20 0 CGADHM C[C@H](Cc1cccc(Cl)c1)C(=O)[N-]O[C@@H]1CCCCO1 ZINC000125883785 634823371 /nfs/dbraw/zinc/82/33/71/634823371.db2.gz YBOLHBBQEPDTBJ-BXUZGUMPSA-N -1 3 297.782 3.093 20 0 CGADHM C=COCCOC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000810648709 630916462 /nfs/dbraw/zinc/91/64/62/630916462.db2.gz LASAIEOKUNLMCY-UHFFFAOYSA-N -1 3 271.725 3.200 20 0 CGADHM C[C@@H](OC(=O)c1cc2cc(Cl)sc2[n-]1)C(=O)C1CC1 ZINC000811397463 631062632 /nfs/dbraw/zinc/06/26/32/631062632.db2.gz ZURNNEQSUUCKBD-ZCFIWIBFSA-N -1 3 297.763 3.407 20 0 CGADHM CC(C)COc1ccc(CC(=O)[N-]OC/C=C/Cl)cc1 ZINC000812404412 631246671 /nfs/dbraw/zinc/24/66/71/631246671.db2.gz CQXVBCXEISOTDF-FPYGCLRLSA-N -1 3 297.782 3.064 20 0 CGADHM O=C(CCCCCc1ccc(O)cc1)[N-]OC/C=C\Cl ZINC000812404643 631246815 /nfs/dbraw/zinc/24/68/15/631246815.db2.gz HWIGHRUADUOWSE-WCIBSUBMSA-N -1 3 297.782 3.295 20 0 CGADHM O=C(C[C@H]1CCCc2ccccc21)[N-]OC/C=C/Cl ZINC000812407243 631248162 /nfs/dbraw/zinc/24/81/62/631248162.db2.gz IEFRFSDAUGQUNG-QGQQYVBWSA-N -1 3 279.767 3.297 20 0 CGADHM CC(C)(C)c1ccc(CC(=O)[N-]OC2CCC2)cc1 ZINC000812789943 631309129 /nfs/dbraw/zinc/30/91/29/631309129.db2.gz QNCFJBWCQMHCTJ-UHFFFAOYSA-N -1 3 261.365 3.127 20 0 CGADHM O=C(Cc1c[nH]c2cccc(Cl)c12)[N-]OC/C=C/Cl ZINC000816779737 632049919 /nfs/dbraw/zinc/04/99/19/632049919.db2.gz MKQHHPGOLCOWHS-GORDUTHDSA-N -1 3 299.157 3.164 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)[C@@H](C)Cn1ccc2ccccc21 ZINC000816975696 632066186 /nfs/dbraw/zinc/06/61/86/632066186.db2.gz MQJPZTYAMUWEIV-KGLIPLIRSA-N -1 3 288.391 3.371 20 0 CGADHM Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)[N-]OCC1CC1 ZINC000817335199 632125373 /nfs/dbraw/zinc/12/53/73/632125373.db2.gz YTGSOHYGELMUJX-OCCSQVGLSA-N -1 3 273.376 3.434 20 0 CGADHM CC(C)[C@H](c1ccccc1)N(C)C(=O)c1ccc(N)cc1[O-] ZINC000817935467 632237935 /nfs/dbraw/zinc/23/79/35/632237935.db2.gz GXNORQNNQRCYPW-QGZVFWFLSA-N -1 3 298.386 3.444 20 0 CGADHM CC[C@H]1c2ccccc2CCN1C(=O)c1ccc(N)cc1[O-] ZINC000817941734 632240598 /nfs/dbraw/zinc/24/05/98/632240598.db2.gz WABZVQNZUZMAPI-INIZCTEOSA-N -1 3 296.370 3.124 20 0 CGADHM CCN(C(=O)c1ccc(N)cc1[O-])[C@H]1CCCC[C@H]1C ZINC000817997061 632275824 /nfs/dbraw/zinc/27/58/24/632275824.db2.gz RAOVPXJNNOTKLS-RISCZKNCSA-N -1 3 276.380 3.015 20 0 CGADHM CCC(C)(C)CCSc1ccc(-c2nnn[n-]2)cn1 ZINC000820847586 632686329 /nfs/dbraw/zinc/68/63/29/632686329.db2.gz HKFIFSFBZIWXCM-UHFFFAOYSA-N -1 3 277.397 3.180 20 0 CGADHM CCC(C)(C)CCSc1ccc(-c2nn[n-]n2)cn1 ZINC000820847586 632686333 /nfs/dbraw/zinc/68/63/33/632686333.db2.gz HKFIFSFBZIWXCM-UHFFFAOYSA-N -1 3 277.397 3.180 20 0 CGADHM CCCSc1cccc(Cl)c1-c1nnn[n-]1 ZINC000825341395 633348029 /nfs/dbraw/zinc/34/80/29/633348029.db2.gz BWIYISWJGFBNIW-UHFFFAOYSA-N -1 3 254.746 3.022 20 0 CGADHM CCCSc1cccc(Cl)c1-c1nn[n-]n1 ZINC000825341395 633348031 /nfs/dbraw/zinc/34/80/31/633348031.db2.gz BWIYISWJGFBNIW-UHFFFAOYSA-N -1 3 254.746 3.022 20 0 CGADHM Cc1cccc(CO[N-]C(=O)[C@@]2(C)CCC(C)=C(C)C2)n1 ZINC000825572428 633365733 /nfs/dbraw/zinc/36/57/33/633365733.db2.gz GXGTVHYUCXYWEH-KRWDZBQOSA-N -1 3 288.391 3.464 20 0 CGADHM CC(=C\c1ccccc1)/C=C1/C(=O)[N-]C(=O)c2ccccc21 ZINC000208020746 633526464 /nfs/dbraw/zinc/52/64/64/633526464.db2.gz JLOXIDHNCMIOMA-QKIOLIMFSA-N -1 3 289.334 3.444 20 0 CGADHM CC(Cl)(Cl)C(=O)[N-][C@H](CF)c1ccc(F)cc1 ZINC000828098162 633559816 /nfs/dbraw/zinc/55/98/16/633559816.db2.gz RVTRWDZOSHFOOU-SECBINFHSA-N -1 3 282.117 3.146 20 0 CGADHM O=C(NOCCCC(F)(F)F)c1cc([O-])ccc1Cl ZINC000871214458 633729103 /nfs/dbraw/zinc/72/91/03/633729103.db2.gz GJXIKAJMXVBWOY-UHFFFAOYSA-N -1 3 297.660 3.050 20 0 CGADHM CCC(F)(F)C(=O)[N-][C@@H](C)c1cccc(F)c1F ZINC000831515788 633969254 /nfs/dbraw/zinc/96/92/54/633969254.db2.gz XROYZMQMYJFWGY-ZETCQYMHSA-N -1 3 263.234 3.187 20 0 CGADHM CCn1cc([C@H](C)N[C@H](C)c2cccc([O-])c2F)cn1 ZINC000872077704 634000624 /nfs/dbraw/zinc/00/06/24/634000624.db2.gz LIVWILDYMUGPKZ-WDEREUQCSA-N -1 3 277.343 3.160 20 0 CGADHM Cc1cc(C)c(CN[C@@H](C)c2cccc([O-])c2F)cn1 ZINC000872079147 634003122 /nfs/dbraw/zinc/00/31/22/634003122.db2.gz VIVQVLGXTYLPBV-LBPRGKRZSA-N -1 3 274.339 3.394 20 0 CGADHM C[C@H](N[C@@H]1C[C@@H](O)c2ccccc21)c1cccc([O-])c1F ZINC000872085722 634010104 /nfs/dbraw/zinc/01/01/04/634010104.db2.gz PDSDIWUTQZLPKG-DRZCJDIDSA-N -1 3 287.334 3.360 20 0 CGADHM C[C@@H](N[C@@H](C)c1cccc([O-])c1F)c1ccns1 ZINC000872089641 634015533 /nfs/dbraw/zinc/01/55/33/634015533.db2.gz BGONRALEBYPYPB-DTWKUNHWSA-N -1 3 266.341 3.400 20 0 CGADHM Cc1nccnc1[C@H](C)N[C@@H](C)c1cccc([O-])c1F ZINC000872130805 634052871 /nfs/dbraw/zinc/05/28/71/634052871.db2.gz MEGUNDQWZCTAHN-ONGXEEELSA-N -1 3 275.327 3.042 20 0 CGADHM O=C(c1ccccc1[O-])N1CC[C@]2(CCc3ccccc32)C1 ZINC000834866995 634260106 /nfs/dbraw/zinc/26/01/06/634260106.db2.gz SHCIUEVCHJGKKV-LJQANCHMSA-N -1 3 293.366 3.122 20 0 CGADHM CCCc1nnc([N-]C(=O)c2ncsc2C2CC2)s1 ZINC000878068677 635344769 /nfs/dbraw/zinc/34/47/69/635344769.db2.gz GEAXQRYJJIRPGN-UHFFFAOYSA-N -1 3 294.405 3.077 20 0 CGADHM Cc1ccc(CN[C@@H](CC(F)(F)F)C(=O)[O-])c(Cl)c1 ZINC000844290223 635860528 /nfs/dbraw/zinc/86/05/28/635860528.db2.gz JRLYQFZDDFTKQX-JTQLQIEISA-N -1 3 295.688 3.144 20 0 CGADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1ccc(C2CC2)cc1F ZINC000880746515 636045093 /nfs/dbraw/zinc/04/50/93/636045093.db2.gz MYXOSXPAUIHLIU-CQSZACIVSA-N -1 3 294.326 3.283 20 0 CGADHM O=C([N-]O[C@@H]1CCCCO1)Nc1ccc(C2CC2)cc1F ZINC000880746515 636045096 /nfs/dbraw/zinc/04/50/96/636045096.db2.gz MYXOSXPAUIHLIU-CQSZACIVSA-N -1 3 294.326 3.283 20 0 CGADHM [O-]c1ccc(F)c(CN2CCC3(CC3(F)F)CC2)c1F ZINC000846054848 636139080 /nfs/dbraw/zinc/13/90/80/636139080.db2.gz QRUIQQNAEIMZDE-UHFFFAOYSA-N -1 3 289.272 3.292 20 0 CGADHM C/C(=C/C(=O)NCc1ccc([O-])c(F)c1)c1ccccc1 ZINC000132818114 636839900 /nfs/dbraw/zinc/83/99/00/636839900.db2.gz FWBBSVRFDXWUGG-XFXZXTDPSA-N -1 3 285.318 3.251 20 0 CGADHM O=C([O-])C1=CC[C@@H](NCc2c(Cl)cccc2Cl)C1 ZINC000853035130 637740908 /nfs/dbraw/zinc/74/09/08/637740908.db2.gz NWADYNUUPSUMOG-SECBINFHSA-N -1 3 286.158 3.256 20 0 CGADHM Cc1cc(CO[N-]C(=O)CCC2CCCCC2)nc(C)n1 ZINC000853665141 637886622 /nfs/dbraw/zinc/88/66/22/637886622.db2.gz FGSHILAQHHWQEB-UHFFFAOYSA-N -1 3 291.395 3.002 20 0 CGADHM CCC(F)(F)C(=O)[N-][C@@H](c1ccccc1)C(F)F ZINC000854637100 638080731 /nfs/dbraw/zinc/08/07/31/638080731.db2.gz OLMAAKVZIOLGAS-VIFPVBQESA-N -1 3 263.234 3.154 20 0 CGADHM O=C(NCCC1CSC1)c1cc([O-])c2ccccc2c1 ZINC000854975596 638129482 /nfs/dbraw/zinc/12/94/82/638129482.db2.gz AVCQOMIMNZSGRL-UHFFFAOYSA-N -1 3 287.384 3.028 20 0 CGADHM O=C(NCCC1CSC1)c1cc2sccc2c([O-])c1 ZINC000854975615 638129514 /nfs/dbraw/zinc/12/95/14/638129514.db2.gz BPLAJXWXZCBTTB-UHFFFAOYSA-N -1 3 293.413 3.090 20 0 CGADHM C[C@@H]1CSCCCN1C(=O)c1cc([O-])ccc1Cl ZINC000889924807 638137337 /nfs/dbraw/zinc/13/73/37/638137337.db2.gz SCOLARLDHBMUPI-SECBINFHSA-N -1 3 285.796 3.013 20 0 CGADHM CO/C(=C/c1ccccc1)C(=O)[N-]OC1CCCCC1 ZINC000857186144 638469338 /nfs/dbraw/zinc/46/93/38/638469338.db2.gz HSWKAXWXEFVJDJ-NTCAYCPXSA-N -1 3 275.348 3.054 20 0 CGADHM Cc1c(F)cccc1NC(=O)c1[n-]cnc1C(F)(F)F ZINC000857458808 638507717 /nfs/dbraw/zinc/50/77/17/638507717.db2.gz UNVAKPLGOWAUBI-UHFFFAOYSA-N -1 3 287.216 3.128 20 0 CGADHM Cc1c(F)cccc1NC(=O)c1nc[n-]c1C(F)(F)F ZINC000857458808 638507720 /nfs/dbraw/zinc/50/77/20/638507720.db2.gz UNVAKPLGOWAUBI-UHFFFAOYSA-N -1 3 287.216 3.128 20 0 CGADHM C[C@H](N[C@@H]1C[C@H](C)n2ccnc21)c1cc([O-])cc(F)c1 ZINC000926534374 638782164 /nfs/dbraw/zinc/78/21/64/638782164.db2.gz ZEIKLQSVQAGIPY-PKFCDNJMSA-N -1 3 275.327 3.084 20 0 CGADHM CSCCCCCCC(=O)[N-]OC/C=C\Cl ZINC000861782353 639613145 /nfs/dbraw/zinc/61/31/45/639613145.db2.gz ASYJWNZDCIIBEP-VURMDHGXSA-N -1 3 265.806 3.100 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])[C@]12CCO[C@@H]1CCCC2 ZINC000935016527 639731311 /nfs/dbraw/zinc/73/13/11/639731311.db2.gz KLDXFGJILJPGDC-UKRRQHHQSA-N -1 3 295.766 3.333 20 0 CGADHM C[C@H]1CC[C@H](COC(=O)c2cc(Cl)c(Cl)[n-]2)O1 ZINC000158719045 640015697 /nfs/dbraw/zinc/01/56/97/640015697.db2.gz VCULDLGJTOPITP-NKWVEPMBSA-N -1 3 278.135 3.046 20 0 CGADHM Cc1cccc2c1C(=O)N[C@H](c1cc(Cl)ccc1[O-])N2 ZINC000048619467 640061372 /nfs/dbraw/zinc/06/13/72/640061372.db2.gz JCZLOVXSUMNKQM-CQSZACIVSA-N -1 3 288.734 3.208 20 0 CGADHM [O-]c1ccc(Cl)c(F)c1CNc1ccc2[nH]nnc2c1 ZINC000191381484 640306800 /nfs/dbraw/zinc/30/68/00/640306800.db2.gz GGBZBPKCRYELAI-UHFFFAOYSA-N -1 3 292.701 3.068 20 0 CGADHM CSc1cc(O)ccc1NC(=O)c1ccc(C)cc1[O-] ZINC000191556491 640319562 /nfs/dbraw/zinc/31/95/62/640319562.db2.gz XYUMTSYQZCENDR-UHFFFAOYSA-N -1 3 289.356 3.380 20 0 CGADHM O=C(Nc1cc([O-])cc(Cl)c1)c1cc2scnc2[nH]1 ZINC001155520651 805587556 /nfs/dbraw/zinc/58/75/56/805587556.db2.gz TWCJHUZRGJBGLD-UHFFFAOYSA-N -1 3 293.735 3.236 20 0 CGADHM O=C(Nc1ccccc1[O-])c1cc2c(cc1F)C(=O)CCC2 ZINC001157056013 805771920 /nfs/dbraw/zinc/77/19/20/805771920.db2.gz ALVWNXNTZOPJBK-UHFFFAOYSA-N -1 3 299.301 3.303 20 0 CGADHM CC(=O)c1ccc2c(c1)nc(-c1cc([O-])ccc1F)n2C ZINC001250835486 805785046 /nfs/dbraw/zinc/78/50/46/805785046.db2.gz NDZMLTRIYAXBOZ-UHFFFAOYSA-N -1 3 284.290 3.288 20 0 CGADHM [O-]c1cnccc1-c1nc2cc(OC(F)(F)F)ccc2[nH]1 ZINC001250860975 805789565 /nfs/dbraw/zinc/78/95/65/805789565.db2.gz YIQDTBJKCOBIHX-UHFFFAOYSA-N -1 3 295.220 3.229 20 0 CGADHM Cc1ccc(-c2nnc(-c3c([O-])cc(C)cc3O)o2)cc1 ZINC001252690095 806103189 /nfs/dbraw/zinc/10/31/89/806103189.db2.gz FDXAEQYNQDTWDM-UHFFFAOYSA-N -1 3 282.299 3.432 20 0 CGADHM CCc1ccc(-c2nnc(-c3ccc(F)c(=O)[n-]3)o2)cc1 ZINC001253014386 806154561 /nfs/dbraw/zinc/15/45/61/806154561.db2.gz RCZUTWPNZAGBTM-UHFFFAOYSA-N -1 3 285.278 3.206 20 0 CGADHM O[C@@H](CN[C@H]1C=CC[CH]1)C(c1ccccc1)c1ccccc1 ZINC001253938240 806321372 /nfs/dbraw/zinc/32/13/72/806321372.db2.gz MKIYCQFCSLTUMR-OALUTQOASA-N -1 3 292.402 3.302 20 0 CGADHM [O-]c1ccc(-c2nnc(Cc3ccccc3Cl)o2)nc1 ZINC001254335529 806381274 /nfs/dbraw/zinc/38/12/74/806381274.db2.gz AHTHXYYUKWJFJG-UHFFFAOYSA-N -1 3 287.706 3.081 20 0 CGADHM O=C([O-])[C@@H](NCc1ccccc1)c1ccc(Cl)cc1 ZINC000037952400 798881161 /nfs/dbraw/zinc/88/11/61/798881161.db2.gz RNHOEIARONFZNJ-AWEZNQCLSA-N -1 3 275.735 3.256 20 0 CGADHM CCOC(=O)c1ncsc1[N-]c1c(F)cccc1F ZINC000071201805 798916881 /nfs/dbraw/zinc/91/68/81/798916881.db2.gz MLTOJSMZOHJSQC-UHFFFAOYSA-N -1 3 284.287 3.342 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCC(C)(C)C[C@H]2C)o1 ZINC000358596094 799337192 /nfs/dbraw/zinc/33/71/92/799337192.db2.gz SSIURCPFXHEMSB-ZYHUDNBSSA-N -1 3 285.409 3.081 20 0 CGADHM COc1cccc([O-])c1C(=O)N1CCC2(CCCC2)CC1 ZINC000405425350 799584917 /nfs/dbraw/zinc/58/49/17/799584917.db2.gz QUCSTNPDKSBEEE-UHFFFAOYSA-N -1 3 289.375 3.197 20 0 CGADHM CC(C)CCC[C@H](C)NC(=O)c1cc2c(cc1[O-])OCO2 ZINC000436689992 799612486 /nfs/dbraw/zinc/61/24/86/799612486.db2.gz PSBHSNZBZSUYDJ-NSHDSACASA-N -1 3 293.363 3.066 20 0 CGADHM CC(C)CCO[C@@H]1CCN(Cc2csc(C(=O)[O-])c2)C1 ZINC000701771561 799894481 /nfs/dbraw/zinc/89/44/81/799894481.db2.gz KSADSOWMDZWPGW-CYBMUJFWSA-N -1 3 297.420 3.083 20 0 CGADHM O=C([O-])c1ccc(F)c(CN2C3CCCC2CCC3)c1 ZINC000706317967 799961134 /nfs/dbraw/zinc/96/11/34/799961134.db2.gz JZRQIJXWRMJTDU-UHFFFAOYSA-N -1 3 277.339 3.431 20 0 CGADHM Cc1cccc([O-])c1C(=O)NC[C@@H]1CCCC[C@H]1C ZINC000706621285 799964306 /nfs/dbraw/zinc/96/43/06/799964306.db2.gz BAOZJWWHXDANQO-YPMHNXCESA-N -1 3 261.365 3.257 20 0 CGADHM CC(C)(C)c1ccc(NCC[N-]C(=O)C(F)(F)F)cc1 ZINC001164243945 806922979 /nfs/dbraw/zinc/92/29/79/806922979.db2.gz MWCQKMZATXZCLV-UHFFFAOYSA-N -1 3 288.313 3.075 20 0 CGADHM C[C@H]1C[C@@H]1c1nnc(-c2c([O-])cc3ccccc3c2O)o1 ZINC001256632433 806933131 /nfs/dbraw/zinc/93/31/31/806933131.db2.gz FZQMVXDNDMVTSW-KWQFWETISA-N -1 3 282.299 3.424 20 0 CGADHM C[C@@H]1C[C@@H]1c1nnc(-c2cc([O-])ccc2Cl)o1 ZINC001256627827 806932306 /nfs/dbraw/zinc/93/23/06/806932306.db2.gz ZRMLXVCDJFDIDP-SVRRBLITSA-N -1 3 250.685 3.219 20 0 CGADHM Cc1ccc2ncc([O-])c(-c3nnc([C@H]4C[C@H]4C)o3)c2c1 ZINC001256644053 806937397 /nfs/dbraw/zinc/93/73/97/806937397.db2.gz CGHWBLBGFMHJDU-ZJUUUORDSA-N -1 3 281.315 3.422 20 0 CGADHM Cc1ccc2ncc([O-])c(-c3nnc([C@H]4C[C@@H]4C)o3)c2c1 ZINC001256644050 806937532 /nfs/dbraw/zinc/93/75/32/806937532.db2.gz CGHWBLBGFMHJDU-UWVGGRQHSA-N -1 3 281.315 3.422 20 0 CGADHM Cc1ccc2ccc(NCCCc3c[n-][nH]c3=O)cc2c1 ZINC001164395904 806944418 /nfs/dbraw/zinc/94/44/18/806944418.db2.gz NQVCLSZNWJMVKV-AWEZNQCLSA-N -1 3 281.359 3.072 20 0 CGADHM C[C@@H]1C[C@H]1c1nnc(-c2cc([O-])cc(Br)c2)o1 ZINC001256747402 806970716 /nfs/dbraw/zinc/97/07/16/806970716.db2.gz LNXQAWLDINKXSK-LHLIQPBNSA-N -1 3 295.136 3.328 20 0 CGADHM CC(C)(C)O[N-]C(=O)CC[C@H]1CCc2ccccc21 ZINC001119260004 802639873 /nfs/dbraw/zinc/63/98/73/802639873.db2.gz WNPUTNYLBHUPMN-CYBMUJFWSA-N -1 3 261.365 3.343 20 0 CGADHM [O-]c1ccc(-c2ncc3c(n2)CCC3)c(C(F)(F)F)c1 ZINC001205073567 812848292 /nfs/dbraw/zinc/84/82/92/812848292.db2.gz SAJWQFLWEUJTTH-UHFFFAOYSA-N -1 3 280.249 3.357 20 0 CGADHM FC(F)(F)c1cc(-c2cccc3c2CCN3)nc(=S)[n-]1 ZINC001243853272 803051119 /nfs/dbraw/zinc/05/11/19/803051119.db2.gz SSRIRUAUYOHIRM-UHFFFAOYSA-N -1 3 297.305 3.419 20 0 CGADHM Fc1cc(-c2cc(C(F)(F)F)[n-]c(=S)n2)cc(F)n1 ZINC001243975260 803114177 /nfs/dbraw/zinc/11/41/77/803114177.db2.gz YRBPHXMMQDFZKZ-UHFFFAOYSA-N -1 3 293.220 3.124 20 0 CGADHM CCCOc1cc(F)ccc1-c1ccccc1-c1nnn[n-]1 ZINC001244356576 803325048 /nfs/dbraw/zinc/32/50/48/803325048.db2.gz GHXDNHIUCZXFQT-UHFFFAOYSA-N -1 3 298.321 3.462 20 0 CGADHM CCCOc1cc(F)ccc1-c1ccccc1-c1nn[n-]n1 ZINC001244356576 803325056 /nfs/dbraw/zinc/32/50/56/803325056.db2.gz GHXDNHIUCZXFQT-UHFFFAOYSA-N -1 3 298.321 3.462 20 0 CGADHM Cc1cnc(-c2cc(OC(F)(F)F)ccc2[O-])cn1 ZINC001244457423 803380401 /nfs/dbraw/zinc/38/04/01/803380401.db2.gz XBJIYQKDBLWANI-UHFFFAOYSA-N -1 3 270.210 3.056 20 0 CGADHM Oc1cc(OC(F)(F)F)ccc1-c1ccc(=S)[n-]n1 ZINC001244463344 803381809 /nfs/dbraw/zinc/38/18/09/803381809.db2.gz PZMXLGRVHANLAV-UHFFFAOYSA-N -1 3 288.250 3.037 20 0 CGADHM NC(=O)Nc1ccccc1-c1ccc(Cl)cc1[O-] ZINC001244469198 803385915 /nfs/dbraw/zinc/38/59/15/803385915.db2.gz AKGFNHXTJYWJKC-UHFFFAOYSA-N -1 3 262.696 3.203 20 0 CGADHM COCOc1cnc(F)cc1-c1ccc(Cl)cc1[O-] ZINC001244469580 803386087 /nfs/dbraw/zinc/38/60/87/803386087.db2.gz NVVOATYAALAKFL-UHFFFAOYSA-N -1 3 283.686 3.229 20 0 CGADHM [O-]c1cc(Cl)ccc1-c1cnc(OCC2CC2)nc1 ZINC001244471905 803387338 /nfs/dbraw/zinc/38/73/38/803387338.db2.gz GFCPRKWISDVUCH-UHFFFAOYSA-N -1 3 276.723 3.291 20 0 CGADHM CCOC(=O)Cc1cccnc1-c1cc(C)c(F)c([O-])c1 ZINC001244495694 803403748 /nfs/dbraw/zinc/40/37/48/803403748.db2.gz IABCZSYPEPEOBP-UHFFFAOYSA-N -1 3 289.306 3.007 20 0 CGADHM Cc1cc(-c2ccc(N3CCCCC3)nn2)cc([O-])c1F ZINC001244496296 803404127 /nfs/dbraw/zinc/40/41/27/803404127.db2.gz QGIFWDKIXMPPJB-UHFFFAOYSA-N -1 3 287.338 3.287 20 0 CGADHM CCOC(=O)Cc1ncccc1-c1cc(C)c(F)c([O-])c1 ZINC001244521334 803415678 /nfs/dbraw/zinc/41/56/78/803415678.db2.gz RQUMNWJHEMTGRE-UHFFFAOYSA-N -1 3 289.306 3.007 20 0 CGADHM Cc1nc2cc(-c3cc(C)c(F)c([O-])c3)cnc2o1 ZINC001244524926 803417788 /nfs/dbraw/zinc/41/77/88/803417788.db2.gz JCKUCXKSSJENCU-UHFFFAOYSA-N -1 3 258.252 3.351 20 0 CGADHM CNc1cc(F)cc(-c2ccc(-c3nnn[n-]3)cc2C)c1 ZINC001244831434 803542342 /nfs/dbraw/zinc/54/23/42/803542342.db2.gz HJUFFKQOYCVBRX-UHFFFAOYSA-N -1 3 283.310 3.023 20 0 CGADHM CNc1cc(F)cc(-c2ccc(-c3nn[n-]n3)cc2C)c1 ZINC001244831434 803542347 /nfs/dbraw/zinc/54/23/47/803542347.db2.gz HJUFFKQOYCVBRX-UHFFFAOYSA-N -1 3 283.310 3.023 20 0 CGADHM Clc1ccnc(Cl)c1-c1cccc(-c2nnn[n-]2)c1 ZINC001244941700 803584444 /nfs/dbraw/zinc/58/44/44/803584444.db2.gz YPUBBHXBYBCCJV-UHFFFAOYSA-N -1 3 292.129 3.236 20 0 CGADHM Clc1ccnc(Cl)c1-c1cccc(-c2nn[n-]n2)c1 ZINC001244941700 803584448 /nfs/dbraw/zinc/58/44/48/803584448.db2.gz YPUBBHXBYBCCJV-UHFFFAOYSA-N -1 3 292.129 3.236 20 0 CGADHM CC(C)Oc1cnc(-c2ccc([O-])cc2Cl)cn1 ZINC001245078558 803634229 /nfs/dbraw/zinc/63/42/29/803634229.db2.gz PVDZQTWPACHHDF-UHFFFAOYSA-N -1 3 264.712 3.290 20 0 CGADHM COc1cc(-c2ccc3c(c2)[N-]C(=S)C3)cnc1F ZINC001245080711 803635379 /nfs/dbraw/zinc/63/53/79/803635379.db2.gz 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[O-]c1ccc(Nc2ccc(CCO)cc2)cc1Cl ZINC001212929770 815186107 /nfs/dbraw/zinc/18/61/07/815186107.db2.gz MDWDCYADWCYCLU-UHFFFAOYSA-N -1 3 263.724 3.324 20 0 CGADHM CC(=O)Nc1cccc(Nc2ccc([O-])c(F)c2F)c1 ZINC001173831986 808696857 /nfs/dbraw/zinc/69/68/57/808696857.db2.gz OBBVXMADLZBAMR-UHFFFAOYSA-N -1 3 278.258 3.372 20 0 CGADHM CS(=O)(=O)c1ccccc1Nc1ccc([O-])c(Cl)c1 ZINC001173989770 808807800 /nfs/dbraw/zinc/80/78/00/808807800.db2.gz QLGHQNWXDPAWCQ-UHFFFAOYSA-N -1 3 297.763 3.193 20 0 CGADHM Cc1nc(Nc2ccc3c(c2)ncn3C(C)C)cc(=O)[n-]1 ZINC001174380640 808984094 /nfs/dbraw/zinc/98/40/94/808984094.db2.gz HAZPHCJXRNZPNL-UHFFFAOYSA-N -1 3 283.335 3.165 20 0 CGADHM CC(C)(C)c1nnc([N-]c2cnn(CC3CC3)c2)s1 ZINC001174466594 809024157 /nfs/dbraw/zinc/02/41/57/809024157.db2.gz OENLRIJSZMSLOJ-UHFFFAOYSA-N -1 3 277.397 3.186 20 0 CGADHM O=c1[n-]cncc1Nc1cc(F)ccc1C(F)(F)F ZINC001174484327 809038744 /nfs/dbraw/zinc/03/87/44/809038744.db2.gz DAJBCXBYOCJHHK-UHFFFAOYSA-N -1 3 273.189 3.084 20 0 CGADHM Cc1nc(Nc2ccccc2OCC(C)C)cc(=O)[n-]1 ZINC001213251801 815259056 /nfs/dbraw/zinc/25/90/56/815259056.db2.gz INSFFTYKABCTEM-UHFFFAOYSA-N -1 3 273.336 3.269 20 0 CGADHM [O-]c1cc(Nc2cc(F)ccc2O)c(F)cc1F ZINC001174626962 809108969 /nfs/dbraw/zinc/10/89/69/809108969.db2.gz CKIPJKMAERJLKO-UHFFFAOYSA-N -1 3 255.195 3.259 20 0 CGADHM [O-]c1c(F)cc(Nc2nc3c(s2)CCC3)cc1F ZINC001213370663 815271007 /nfs/dbraw/zinc/27/10/07/815271007.db2.gz KJVRGLRJABTMQG-UHFFFAOYSA-N -1 3 268.288 3.359 20 0 CGADHM Cn1c2ccccc2nc1Nc1cc(F)c([O-])c(F)c1 ZINC001213371012 815271263 /nfs/dbraw/zinc/27/12/63/815271263.db2.gz RZJGBDZIZDFCIH-UHFFFAOYSA-N -1 3 275.258 3.301 20 0 CGADHM CN(c1cc(F)c([O-])c(F)c1)c1nc(Cl)ccc1N ZINC001213375123 815271673 /nfs/dbraw/zinc/27/16/73/815271673.db2.gz RCJIYHFYVBCKFB-UHFFFAOYSA-N -1 3 285.681 3.069 20 0 CGADHM CC(C)COc1cc(F)cc(Nc2cnc[n-]c2=O)c1 ZINC001175059588 809256736 /nfs/dbraw/zinc/25/67/36/809256736.db2.gz LDTDKXJMYAIROL-UHFFFAOYSA-N -1 3 277.299 3.100 20 0 CGADHM [O-]c1c(F)cc(Nc2cccc3c2CCO3)cc1F ZINC001213384435 815274431 /nfs/dbraw/zinc/27/44/31/815274431.db2.gz MGHVEBOULKNRSC-UHFFFAOYSA-N -1 3 263.243 3.349 20 0 CGADHM COCCOc1cccc(Nc2cc(F)c([O-])c(F)c2)c1 ZINC001213384332 815274517 /nfs/dbraw/zinc/27/45/17/815274517.db2.gz GTWJPQIYWPNAQJ-UHFFFAOYSA-N -1 3 295.285 3.439 20 0 CGADHM Nc1ccc2nn(-c3cc(F)c([O-])c(F)c3)cc2c1Cl ZINC001213384457 815274679 /nfs/dbraw/zinc/27/46/79/815274679.db2.gz NKBWLBNWFNWAOS-UHFFFAOYSA-N -1 3 295.676 3.245 20 0 CGADHM Cc1c(Nc2cc(F)c([O-])c(F)c2)ccc2c1OCCO2 ZINC001213390849 815275027 /nfs/dbraw/zinc/27/50/27/815275027.db2.gz UKEKTNHTBPSXNS-UHFFFAOYSA-N -1 3 293.269 3.494 20 0 CGADHM Cc1cc(Nc2c(F)cc([O-])cc2F)ccc1O ZINC001175100186 809270786 /nfs/dbraw/zinc/27/07/86/809270786.db2.gz NIMMTQMWMKMLNC-UHFFFAOYSA-N -1 3 251.232 3.428 20 0 CGADHM COCOc1cccc(Nc2c(F)cc([O-])cc2F)c1 ZINC001175099461 809271284 /nfs/dbraw/zinc/27/12/84/809271284.db2.gz HVEDIDOGCPJBDS-UHFFFAOYSA-N -1 3 281.258 3.397 20 0 CGADHM CN1CCc2ccc(Nc3cc(F)c([O-])c(F)c3)cc21 ZINC001213390689 815275795 /nfs/dbraw/zinc/27/57/95/815275795.db2.gz PBOGLQHXBKOWIA-UHFFFAOYSA-N -1 3 276.286 3.406 20 0 CGADHM Cc1nc(Nc2cccc(C(F)(F)F)c2F)cc(=O)[n-]1 ZINC001175135261 809284778 /nfs/dbraw/zinc/28/47/78/809284778.db2.gz GPACKJRLFACYGO-UHFFFAOYSA-N -1 3 287.216 3.392 20 0 CGADHM COc1nonc1[N-]c1ccc(C(F)(F)F)c(Cl)c1 ZINC001175260446 809327862 /nfs/dbraw/zinc/32/78/62/809327862.db2.gz CXURLDZDQILWMO-UHFFFAOYSA-N -1 3 293.632 3.494 20 0 CGADHM Cc1cc(C)c(Nc2c(F)ccc([O-])c2F)cn1 ZINC001175263861 809329680 /nfs/dbraw/zinc/32/96/80/809329680.db2.gz UXLYFSXCCKKSKK-UHFFFAOYSA-N -1 3 250.248 3.426 20 0 CGADHM CC(=O)N(C)c1ccc(Nc2c(F)ccc([O-])c2F)cc1 ZINC001175268977 809332767 /nfs/dbraw/zinc/33/27/67/809332767.db2.gz UKNQERANYJVWFO-UHFFFAOYSA-N -1 3 292.285 3.397 20 0 CGADHM [O-]c1ccc(F)c(Nc2ccc3nnsc3c2)c1F ZINC001175269609 809334172 /nfs/dbraw/zinc/33/41/72/809334172.db2.gz HZVZBXYAJQYGFM-UHFFFAOYSA-N -1 3 279.271 3.419 20 0 CGADHM [O-]c1ccc(F)c(Nc2cc(F)cc(F)c2CO)c1F ZINC001175271559 809335667 /nfs/dbraw/zinc/33/56/67/809335667.db2.gz VFQOMNSYWMKDAL-UHFFFAOYSA-N -1 3 287.212 3.185 20 0 CGADHM C[S@@](=O)c1ccccc1Nc1ccc([O-])c(F)c1F ZINC001175303383 809344800 /nfs/dbraw/zinc/34/48/00/809344800.db2.gz CURJTEJAXPVKCC-LJQANCHMSA-N -1 3 283.299 3.151 20 0 CGADHM [O-]c1cc(F)cnc1Nc1ccc2ncccc2c1 ZINC001175375614 809384125 /nfs/dbraw/zinc/38/41/25/809384125.db2.gz OQOFXJQBGLBBPC-UHFFFAOYSA-N -1 3 255.252 3.218 20 0 CGADHM COc1cc(Nc2ncc(Cl)cc2[O-])ccc1F ZINC001175395052 809390193 /nfs/dbraw/zinc/39/01/93/809390193.db2.gz KDXYARHFBLXIOT-UHFFFAOYSA-N -1 3 268.675 3.332 20 0 CGADHM c1cc(Nc2ccc(-c3nn[n-]n3)cc2)cc2c1CCC2 ZINC001175428832 809401477 /nfs/dbraw/zinc/40/14/77/809401477.db2.gz MVUPIGATBJKAIS-UHFFFAOYSA-N -1 3 277.331 3.099 20 0 CGADHM CCOc1ccc(CNC(=O)c2c(C)cccc2[O-])cc1 ZINC001290734993 809414176 /nfs/dbraw/zinc/41/41/76/809414176.db2.gz AXJSNAYQOYSFPG-UHFFFAOYSA-N -1 3 285.343 3.029 20 0 CGADHM C[S@@](=O)c1ccc(Nc2cc([O-])c(F)cc2F)cc1 ZINC001175476306 809420747 /nfs/dbraw/zinc/42/07/47/809420747.db2.gz LPMYTFUWYLUSIQ-LJQANCHMSA-N -1 3 283.299 3.151 20 0 CGADHM Cc1ccc(OCCCNC(=O)c2c(C)cccc2[O-])cc1 ZINC001292442062 809432741 /nfs/dbraw/zinc/43/27/41/809432741.db2.gz NGCDSHDXIGSMMK-UHFFFAOYSA-N -1 3 299.370 3.208 20 0 CGADHM COc1cccc([O-])c1C(=O)N[C@@H]1CCC[C@@H](C(C)C)C1 ZINC001293135149 809444121 /nfs/dbraw/zinc/44/41/21/809444121.db2.gz UWKVBMQDUNSHRS-CHWSQXEVSA-N -1 3 291.391 3.345 20 0 CGADHM Cc1ncc(NC=Cc2ccc(Cl)cc2)c(=O)[n-]1 ZINC001175596810 809468990 /nfs/dbraw/zinc/46/89/90/809468990.db2.gz HYFUDEXJRVFUCR-VOTSOKGWSA-N -1 3 261.712 3.227 20 0 CGADHM O=C(Nc1ccc(F)nc1)c1cc2sccc2c([O-])c1 ZINC001294632071 809473481 /nfs/dbraw/zinc/47/34/81/809473481.db2.gz QWQSVLBJMBQCPS-UHFFFAOYSA-N -1 3 288.303 3.393 20 0 CGADHM CSc1ccc([O-])c(C(=O)N[C@@H]2C[C@H]2c2ccccc2)c1 ZINC001296827783 809509882 /nfs/dbraw/zinc/50/98/82/809509882.db2.gz XEGYDWIOACFGNK-DZGCQCFKSA-N -1 3 299.395 3.400 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2ccc(F)c3ccncc23)n1 ZINC001297159433 809513924 /nfs/dbraw/zinc/51/39/24/809513924.db2.gz WPSKSMOQEOMJOZ-UHFFFAOYSA-N -1 3 297.289 3.035 20 0 CGADHM CCc1cccc(N(C)C(=O)c2ccc(C(C)=O)c([O-])c2)c1 ZINC001299058738 809543892 /nfs/dbraw/zinc/54/38/92/809543892.db2.gz YEPLSSDLCMYUPH-UHFFFAOYSA-N -1 3 297.354 3.434 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2cc([C@@H]3C[C@H]3C)[nH]n2)c1 ZINC001299911248 809557349 /nfs/dbraw/zinc/55/73/49/809557349.db2.gz RULSITKDJUWZLK-MWLCHTKSSA-N -1 3 285.347 3.053 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2cc([C@H]3C[C@H]3C)[nH]n2)c1 ZINC001299911247 809557974 /nfs/dbraw/zinc/55/79/74/809557974.db2.gz RULSITKDJUWZLK-KOLCDFICSA-N -1 3 285.347 3.053 20 0 CGADHM Cc1cc(Nc2cc(=O)[n-]c(C3CC3)n2)cc(C)c1N ZINC001175932792 809574275 /nfs/dbraw/zinc/57/42/75/809574275.db2.gz VOXLKXKQOCOHRL-UHFFFAOYSA-N -1 3 270.336 3.002 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1Cc2ccccc2[C@@H]1C ZINC001301493936 809585126 /nfs/dbraw/zinc/58/51/26/809585126.db2.gz GXDIWEOTIYMFSZ-LBPRGKRZSA-N -1 3 267.328 3.418 20 0 CGADHM Cc1ncccc1CNC(=O)c1cc2sccc2c([O-])c1 ZINC001302104554 809589943 /nfs/dbraw/zinc/58/99/43/809589943.db2.gz OMMGRLAUTVUJTG-UHFFFAOYSA-N -1 3 298.367 3.240 20 0 CGADHM O=C([O-])c1cc(Nc2ccnc(C3CC3)c2)cs1 ZINC001176437048 809696939 /nfs/dbraw/zinc/69/69/39/809696939.db2.gz SJCWEZYMOSYFDU-UHFFFAOYSA-N -1 3 260.318 3.462 20 0 CGADHM Cc1nc(Nc2ccc(OC(C)(C)C)cc2)cc(=O)[n-]1 ZINC001176637533 809734293 /nfs/dbraw/zinc/73/42/93/809734293.db2.gz SDSDYXKBUIPMRG-UHFFFAOYSA-N -1 3 273.336 3.412 20 0 CGADHM [O-]c1cc(Cl)cnc1Nc1cnccc1C1CC1 ZINC001213871543 815341907 /nfs/dbraw/zinc/34/19/07/815341907.db2.gz VLUTZJWPQWFSOL-UHFFFAOYSA-N -1 3 261.712 3.457 20 0 CGADHM CCCCOc1ccc(C(=O)N[C@@H](C)C2CCC2)c([O-])c1 ZINC001183111283 810137404 /nfs/dbraw/zinc/13/74/04/810137404.db2.gz HQISWYSONYKQIL-LBPRGKRZSA-N -1 3 291.391 3.490 20 0 CGADHM O=S(=O)([N-]CCCCC1CCCCC1)c1ccco1 ZINC001186885224 810370824 /nfs/dbraw/zinc/37/08/24/810370824.db2.gz LOQPZDOAKCGABX-UHFFFAOYSA-N -1 3 285.409 3.309 20 0 CGADHM Cc1cccc([O-])c1C(=O)NCc1nccc2ccccc21 ZINC001188655595 810500410 /nfs/dbraw/zinc/50/04/10/810500410.db2.gz QXHIQYDUCQSWEC-UHFFFAOYSA-N -1 3 292.338 3.179 20 0 CGADHM Cc1ccc(Nc2cc(=O)n(-c3ccccc3)[n-]2)c(N)c1 ZINC001214182516 815379033 /nfs/dbraw/zinc/37/90/33/815379033.db2.gz WXFNLOXUFSXLOU-UHFFFAOYSA-N -1 3 280.331 3.212 20 0 CGADHM Cc1c[nH]c(C(=O)Nc2cc([O-])cc(Cl)c2)c1C ZINC001191158915 810684342 /nfs/dbraw/zinc/68/43/42/810684342.db2.gz MBXGJSWSAIFIHE-UHFFFAOYSA-N -1 3 264.712 3.243 20 0 CGADHM CCC[C@H]1CCCC[C@H]1C[N-]S(=O)(=O)c1ccco1 ZINC001191347779 810704341 /nfs/dbraw/zinc/70/43/41/810704341.db2.gz LNHYNRPAWDCPOC-STQMWFEESA-N -1 3 285.409 3.164 20 0 CGADHM CSc1ccc(C(=O)Nc2nc(C)ccc2[O-])s1 ZINC001192636882 810813517 /nfs/dbraw/zinc/81/35/17/810813517.db2.gz YCXHCDIYAJHQJA-UHFFFAOYSA-N -1 3 280.374 3.131 20 0 CGADHM Cc1c[nH]c(C)c1C(=O)Nc1cc([O-])cc(Cl)c1 ZINC001193359533 810878861 /nfs/dbraw/zinc/87/88/61/810878861.db2.gz XAXNISCTFZGLQH-UHFFFAOYSA-N -1 3 264.712 3.243 20 0 CGADHM CCCCOC(=O)NCc1cc(Cl)c([O-])c(OC)c1 ZINC001193722090 810943105 /nfs/dbraw/zinc/94/31/05/810943105.db2.gz JFFUHRDYXLEMFF-UHFFFAOYSA-N -1 3 287.743 3.081 20 0 CGADHM CCCCCOC(=O)Nc1cccc(C(C)=O)c1[O-] ZINC001193769991 810951994 /nfs/dbraw/zinc/95/19/94/810951994.db2.gz QHLWUVBIRGTZRL-UHFFFAOYSA-N -1 3 265.309 3.334 20 0 CGADHM Cc1cc(O)cc([O-])c1C(=O)NC1CCC(C)(C)CC1 ZINC001193946150 810984569 /nfs/dbraw/zinc/98/45/69/810984569.db2.gz PYFBIUXUDWEPSU-UHFFFAOYSA-N -1 3 277.364 3.105 20 0 CGADHM Nc1cn(-c2cc(F)c([O-])c(Cl)c2)c2ncccc12 ZINC001214479830 815415128 /nfs/dbraw/zinc/41/51/28/815415128.db2.gz FNRPBAGNFXYIOV-UHFFFAOYSA-N -1 3 277.686 3.106 20 0 CGADHM [O-]c1ccc(Cl)c(Nc2c(F)cncc2F)c1F ZINC001214553806 815422387 /nfs/dbraw/zinc/42/23/87/815422387.db2.gz AMAXNIOQBKIWDB-UHFFFAOYSA-N -1 3 274.629 3.023 20 0 CGADHM COC(=O)c1cncc(Nc2c(Cl)ccc([O-])c2F)c1 ZINC001214556350 815423146 /nfs/dbraw/zinc/42/31/46/815423146.db2.gz QASSPYWAYFVWPJ-UHFFFAOYSA-N -1 3 296.685 3.110 20 0 CGADHM CCc1cc(Nc2c(Cl)ccc([O-])c2F)on1 ZINC001214556574 815423635 /nfs/dbraw/zinc/42/36/35/815423635.db2.gz YNVWOFJTWZGCHK-UHFFFAOYSA-N -1 3 256.664 3.479 20 0 CGADHM CC[C@@H](C)COC(=O)Nc1c([O-])cccc1C(C)=O ZINC001194804153 811139138 /nfs/dbraw/zinc/13/91/38/811139138.db2.gz IHUFXBRVWLSQFI-SECBINFHSA-N -1 3 265.309 3.189 20 0 CGADHM COc1c(C)ccc(F)c1C(=O)Nc1ccc(F)c([O-])c1 ZINC001198261811 811488467 /nfs/dbraw/zinc/48/84/67/811488467.db2.gz MKDZMHMSRBESIH-UHFFFAOYSA-N -1 3 293.269 3.240 20 0 CGADHM Cc1ccc2nc(N)n(-c3ccc(Cl)c([O-])c3F)c2c1 ZINC001214791006 815451757 /nfs/dbraw/zinc/45/17/57/815451757.db2.gz GJUJLCNZYAITGB-UHFFFAOYSA-N -1 3 291.713 3.414 20 0 CGADHM O=C(Nc1ccc(F)c([O-])c1)c1ccc(C2CCC2)nc1 ZINC001199289139 811569963 /nfs/dbraw/zinc/56/99/63/811569963.db2.gz UVRYPPNBZAPTHH-UHFFFAOYSA-N -1 3 286.306 3.446 20 0 CGADHM CNC(=O)c1ccc(Nc2ccc([O-])c(Cl)c2)c(F)c1 ZINC001214873532 815458455 /nfs/dbraw/zinc/45/84/55/815458455.db2.gz BLUVSNSDHOYYLI-UHFFFAOYSA-N -1 3 294.713 3.288 20 0 CGADHM CCOc1ncc(Nc2ncc(Cl)cc2[O-])cc1C ZINC001214929297 815461702 /nfs/dbraw/zinc/46/17/02/815461702.db2.gz YZVJQYIHSLIAAR-UHFFFAOYSA-N -1 3 279.727 3.286 20 0 CGADHM Cc1occc1CNCc1cccc([O-])c1Br ZINC001199907467 811608102 /nfs/dbraw/zinc/60/81/02/811608102.db2.gz WYIPYAVMQONJAZ-UHFFFAOYSA-N -1 3 296.164 3.346 20 0 CGADHM [O-]c1cccc2sc(NC3=CCSCC3)nc21 ZINC001201327236 811813781 /nfs/dbraw/zinc/81/37/81/811813781.db2.gz RBSAVOOYLVSQLJ-UHFFFAOYSA-N -1 3 264.375 3.435 20 0 CGADHM CC(C)Nc1ccc(Nc2cc(=O)[n-]c(=S)[nH]2)cc1 ZINC001201489869 811862213 /nfs/dbraw/zinc/86/22/13/811862213.db2.gz WBDONZAOCZJNPZ-UHFFFAOYSA-N -1 3 276.365 3.035 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])Nc1c(F)cccc1F ZINC001202042208 812002800 /nfs/dbraw/zinc/00/28/00/812002800.db2.gz QBVNLUIFXWPYTI-UHFFFAOYSA-N -1 3 282.221 3.454 20 0 CGADHM O=C(Nc1cccc(Cl)c1)Nc1cncc([O-])c1 ZINC001202238697 812048739 /nfs/dbraw/zinc/04/87/39/812048739.db2.gz IWGZLFFHKJPEOS-UHFFFAOYSA-N -1 3 263.684 3.085 20 0 CGADHM C[C@H](NC(=O)Nc1ncc([O-])cc1Cl)c1ccccc1 ZINC001202493746 812108013 /nfs/dbraw/zinc/10/80/13/812108013.db2.gz BRBZFIDCQNKWAW-VIFPVBQESA-N -1 3 291.738 3.323 20 0 CGADHM O=c1cc(Nc2ccc(F)c(F)c2Cl)[nH]c(=S)[n-]1 ZINC001215399650 815517070 /nfs/dbraw/zinc/51/70/70/815517070.db2.gz PJVRMLPWSPZJGY-UHFFFAOYSA-N -1 3 289.694 3.146 20 0 CGADHM Cc1ncc(Nc2ccc(F)c(F)c2OC(C)C)c(=O)[n-]1 ZINC001215425105 815518828 /nfs/dbraw/zinc/51/88/28/815518828.db2.gz SSXIUWDRPVLHAF-UHFFFAOYSA-N -1 3 295.289 3.300 20 0 CGADHM Cc1ccc(Nc2ncc(Br)cc2[O-])c(C)n1 ZINC001203362708 812324546 /nfs/dbraw/zinc/32/45/46/812324546.db2.gz FBDFJYMZPYPOJG-UHFFFAOYSA-N -1 3 294.152 3.305 20 0 CGADHM Cc1nc(Nc2ccc(F)c(OC(C)C)c2)cc(=O)[n-]1 ZINC001215496156 815525794 /nfs/dbraw/zinc/52/57/94/815525794.db2.gz QUCZSAYCJOGWSU-UHFFFAOYSA-N -1 3 277.299 3.161 20 0 CGADHM COCc1cc(C)c(Nc2ncc(F)cc2[O-])c(C)c1 ZINC001215531270 815530944 /nfs/dbraw/zinc/53/09/44/815530944.db2.gz WVLUDVZNAWJHBF-UHFFFAOYSA-N -1 3 276.311 3.433 20 0 CGADHM [O-]c1c(Cl)cccc1Nc1cnn(C2CCOCC2)c1 ZINC001203901082 812486531 /nfs/dbraw/zinc/48/65/31/812486531.db2.gz NOSVJIRFHBEEPS-UHFFFAOYSA-N -1 3 293.754 3.337 20 0 CGADHM Cc1ccc(Nc2cc(F)c([O-])cc2F)c(F)n1 ZINC001215570584 815536693 /nfs/dbraw/zinc/53/66/93/815536693.db2.gz UTYQLXGRXRTMNO-UHFFFAOYSA-N -1 3 254.211 3.257 20 0 CGADHM [O-]c1cc(F)c(Nc2cc(-c3ccncc3)no2)cc1F ZINC001215572448 815537273 /nfs/dbraw/zinc/53/72/73/815537273.db2.gz WXSGKMMUEBBSPJ-UHFFFAOYSA-N -1 3 289.241 3.464 20 0 CGADHM COc1cc(CO)ccc1-c1ccc2c(c1)[N-]C(=S)C2 ZINC001204827766 812749340 /nfs/dbraw/zinc/74/93/40/812749340.db2.gz GBLMLTQLWCKBHN-UHFFFAOYSA-N -1 3 285.368 3.150 20 0 CGADHM CN(Cc1ccc(-c2ccsc2C(=O)[O-])nc1)C1CC1 ZINC001205546983 812999683 /nfs/dbraw/zinc/99/96/83/812999683.db2.gz CEMZTTPDWVSNBB-UHFFFAOYSA-N -1 3 288.372 3.103 20 0 CGADHM Cc1ccc2ncnc(-c3ccc([O-])cc3F)c2c1 ZINC001206021446 813169476 /nfs/dbraw/zinc/16/94/76/813169476.db2.gz OJKBHIFDMWTLNQ-UHFFFAOYSA-N -1 3 254.264 3.450 20 0 CGADHM [O-]c1ccc(-c2ncnc3cccc(F)c32)c(F)c1 ZINC001206029557 813171236 /nfs/dbraw/zinc/17/12/36/813171236.db2.gz COKBYLNOJQBDDT-UHFFFAOYSA-N -1 3 258.227 3.281 20 0 CGADHM Cc1cc(C(=O)OC(C)C)cnc1-c1ccc([O-])cc1F ZINC001206037701 813175721 /nfs/dbraw/zinc/17/57/21/813175721.db2.gz LPEQUNQQWFQZEZ-UHFFFAOYSA-N -1 3 289.306 3.467 20 0 CGADHM [O-]c1ccc(-c2ccnc(-c3cncs3)n2)c(F)c1 ZINC001206044467 813179360 /nfs/dbraw/zinc/17/93/60/813179360.db2.gz MYJSWVVPOULUCL-UHFFFAOYSA-N -1 3 273.292 3.112 20 0 CGADHM COc1ccc2nccc(-c3ccc([O-])cc3F)c2n1 ZINC001206057817 813186097 /nfs/dbraw/zinc/18/60/97/813186097.db2.gz PLGKYTHAQPXJCT-UHFFFAOYSA-N -1 3 270.263 3.150 20 0 CGADHM Cc1ccc(-c2cnc3sccc3c2)cc1-c1nnn[n-]1 ZINC001242682735 823099855 /nfs/dbraw/zinc/09/98/55/823099855.db2.gz YVWIFOWUIKPTCP-UHFFFAOYSA-N -1 3 293.355 3.452 20 0 CGADHM Cc1ccc(-c2cnc3sccc3c2)cc1-c1nn[n-]n1 ZINC001242682735 823099860 /nfs/dbraw/zinc/09/98/60/823099860.db2.gz YVWIFOWUIKPTCP-UHFFFAOYSA-N -1 3 293.355 3.452 20 0 CGADHM CCc1cc(OC)ccc1-c1ccc(C)c(-c2nnn[n-]2)c1 ZINC001242699763 823104951 /nfs/dbraw/zinc/10/49/51/823104951.db2.gz HIAUYDUZIJXMAS-UHFFFAOYSA-N -1 3 294.358 3.413 20 0 CGADHM CCc1cc(OC)ccc1-c1ccc(C)c(-c2nn[n-]n2)c1 ZINC001242699763 823104953 /nfs/dbraw/zinc/10/49/53/823104953.db2.gz HIAUYDUZIJXMAS-UHFFFAOYSA-N -1 3 294.358 3.413 20 0 CGADHM Cc1ncc(Nc2c(F)cccc2C(F)(F)F)c(=O)[n-]1 ZINC001210128103 814302840 /nfs/dbraw/zinc/30/28/40/814302840.db2.gz GBUVVKBTWRTDMN-UHFFFAOYSA-N -1 3 287.216 3.392 20 0 CGADHM Nc1ccccc1-c1nccn1-c1cccc(Cl)c1[O-] ZINC001210223788 814351093 /nfs/dbraw/zinc/35/10/93/814351093.db2.gz VFJJHBGXBGDFJG-UHFFFAOYSA-N -1 3 285.734 3.481 20 0 CGADHM COc1c(F)cccc1Nc1ncc(Cl)cc1[O-] ZINC001210404529 814447478 /nfs/dbraw/zinc/44/74/78/814447478.db2.gz IEHYHSCXKBDLFE-UHFFFAOYSA-N -1 3 268.675 3.332 20 0 CGADHM CSc1cc(C)ccc1Nc1ccc(C(N)=O)c([O-])c1 ZINC001215874023 815619719 /nfs/dbraw/zinc/61/97/19/815619719.db2.gz NGZQEVXAMJXJCY-UHFFFAOYSA-N -1 3 288.372 3.265 20 0 CGADHM [O-]c1cc(F)c(Nc2cncc(N3CCCC3)c2)cc1F ZINC001210610409 814555511 /nfs/dbraw/zinc/55/55/11/814555511.db2.gz VGGSIMIYMINTLI-UHFFFAOYSA-N -1 3 291.301 3.409 20 0 CGADHM CCOc1cncc(Nc2cc(F)c([O-])cc2F)c1 ZINC001210665040 814576692 /nfs/dbraw/zinc/57/66/92/814576692.db2.gz LKHJBUHDOHZZPR-UHFFFAOYSA-N -1 3 266.247 3.208 20 0 CGADHM Cc1nc2ccc(Nc3cccc([O-])c3Cl)cn2n1 ZINC001210851810 814650627 /nfs/dbraw/zinc/65/06/27/814650627.db2.gz LVQKDQHDHJIBOH-UHFFFAOYSA-N -1 3 274.711 3.140 20 0 CGADHM [O-]c1cccc(Nc2cnc3c(c2)COCC3)c1Cl ZINC001210845242 814651035 /nfs/dbraw/zinc/65/10/35/814651035.db2.gz VXQNOTDYBUWXFB-UHFFFAOYSA-N -1 3 276.723 3.257 20 0 CGADHM CNC(=O)c1cc(Nc2cccc([O-])c2Cl)ccc1F ZINC001210855408 814652001 /nfs/dbraw/zinc/65/20/01/814652001.db2.gz ZKDODEVUFJJFOX-UHFFFAOYSA-N -1 3 294.713 3.288 20 0 CGADHM O=C1NCc2ccc(Nc3cccc([O-])c3Cl)cc21 ZINC001210854360 814652660 /nfs/dbraw/zinc/65/26/60/814652660.db2.gz RHDKCDBVXHEHLE-UHFFFAOYSA-N -1 3 274.707 3.033 20 0 CGADHM [O-]c1cc(F)c(Nc2c[nH]c3ncccc23)cc1F ZINC001210942423 814683718 /nfs/dbraw/zinc/68/37/18/814683718.db2.gz QBXXWLQBIDBUQG-UHFFFAOYSA-N -1 3 261.231 3.290 20 0 CGADHM Cc1c(CO)cccc1Nc1cc([O-])c(F)cc1F ZINC001211166264 814839740 /nfs/dbraw/zinc/83/97/40/814839740.db2.gz QCUCEKQSZVADSG-UHFFFAOYSA-N -1 3 265.259 3.215 20 0 CGADHM Nc1ccc2c(Cl)nn(-c3ccc(F)c([O-])c3)c2c1 ZINC001211218600 814853901 /nfs/dbraw/zinc/85/39/01/814853901.db2.gz YAJQYFRLYVXMCF-UHFFFAOYSA-N -1 3 277.686 3.106 20 0 CGADHM COc1cnccc1Nc1c(Cl)ccc([O-])c1Cl ZINC001211263383 814865178 /nfs/dbraw/zinc/86/51/78/814865178.db2.gz NZGIPYDINDUFBG-UHFFFAOYSA-N -1 3 285.130 3.268 20 0 CGADHM CCc1cc(Nc2c(F)cc([O-])cc2F)ccc1CO ZINC001216109468 815699122 /nfs/dbraw/zinc/69/91/22/815699122.db2.gz JUFPLRNFSBWFSM-UHFFFAOYSA-N -1 3 279.286 3.469 20 0 CGADHM Nc1ccc(Nc2ncc(F)cc2[O-])c(C(F)(F)F)c1 ZINC001216129339 815709286 /nfs/dbraw/zinc/70/92/86/815709286.db2.gz AIEHNCGRZBJOOD-UHFFFAOYSA-N -1 3 287.216 3.271 20 0 CGADHM COc1cccc(-c2noc(-c3c([O-])cc(C)cc3O)n2)c1 ZINC001216267379 815761988 /nfs/dbraw/zinc/76/19/88/815761988.db2.gz JBSBDIJQZKXIJC-UHFFFAOYSA-N -1 3 298.298 3.132 20 0 CGADHM Nc1cccc(C(=S)Nc2cc(Cl)ccc2[O-])c1 ZINC001216402499 815813894 /nfs/dbraw/zinc/81/38/94/815813894.db2.gz FBZQENBKIYZZBT-UHFFFAOYSA-N -1 3 278.764 3.415 20 0 CGADHM Nc1ccc2[nH]c(=S)n(-c3cc(Cl)ccc3[O-])c2c1 ZINC001216403245 815814603 /nfs/dbraw/zinc/81/46/03/815814603.db2.gz OCYABQYTKWBREE-UHFFFAOYSA-N -1 3 291.763 3.255 20 0 CGADHM CC(=O)c1ccc(-c2noc(-c3cc(O)ccc3[O-])n2)cc1 ZINC001216735283 815894603 /nfs/dbraw/zinc/89/46/03/815894603.db2.gz FZIZJTJSFPGJJQ-UHFFFAOYSA-N -1 3 296.282 3.017 20 0 CGADHM Clc1ccc2[n-]c(-c3nc(-c4ccncc4)no3)nc2c1 ZINC001217257425 815917101 /nfs/dbraw/zinc/91/71/01/815917101.db2.gz RRLKTPZCDQLASX-UHFFFAOYSA-N -1 3 297.705 3.328 20 0 CGADHM Clc1ccc2nc(-c3nc(-c4ccncc4)no3)[n-]c2c1 ZINC001217257425 815917104 /nfs/dbraw/zinc/91/71/04/815917104.db2.gz RRLKTPZCDQLASX-UHFFFAOYSA-N -1 3 297.705 3.328 20 0 CGADHM [O-]c1cc(F)c(-c2cc3nc[nH]c3cc2F)cc1F ZINC001222082821 816343947 /nfs/dbraw/zinc/34/39/47/816343947.db2.gz IQDSZIDSHVSTRX-UHFFFAOYSA-N -1 3 264.206 3.353 20 0 CGADHM S=c1ccc(-c2cccc(-c3cccnc3)c2)n[n-]1 ZINC001243000979 823206179 /nfs/dbraw/zinc/20/61/79/823206179.db2.gz AWPVNEAILUOOLV-UHFFFAOYSA-N -1 3 265.341 3.494 20 0 CGADHM CC(=O)Nc1ccc(C)c(-c2ccc(F)c([O-])c2)c1 ZINC001243048822 823225814 /nfs/dbraw/zinc/22/58/14/823225814.db2.gz JMAAJLFCFBKAMB-UHFFFAOYSA-N -1 3 259.280 3.465 20 0 CGADHM CCOC(=O)c1ccccc1-c1ccc(F)c([O-])c1 ZINC001243050467 823227648 /nfs/dbraw/zinc/22/76/48/823227648.db2.gz XLVMWVVDTNCEHF-UHFFFAOYSA-N -1 3 260.264 3.375 20 0 CGADHM COc1ncnc2ccc(-c3ccc(F)c([O-])c3)cc21 ZINC001243050842 823227662 /nfs/dbraw/zinc/22/76/62/823227662.db2.gz ZPBFZZBGYHCLIF-UHFFFAOYSA-N -1 3 270.263 3.150 20 0 CGADHM COc1nc2[nH]ccc2cc1-c1ccc(F)c([O-])c1 ZINC001243062930 823232486 /nfs/dbraw/zinc/23/24/86/823232486.db2.gz PNBQYHHCNTWXRN-UHFFFAOYSA-N -1 3 258.252 3.035 20 0 CGADHM CC(=O)c1ccc([O-])c(O[C@H]2CCC(=O)CC2(C)C)c1 ZINC001225992851 817241556 /nfs/dbraw/zinc/24/15/56/817241556.db2.gz CLVOGNONBGKFBI-HNNXBMFYSA-N -1 3 276.332 3.121 20 0 CGADHM CC(=O)c1ccc([O-])c(O[C@@H](C)CC(C)C)c1O ZINC001226480036 817370841 /nfs/dbraw/zinc/37/08/41/817370841.db2.gz XOCLSZZMZHADBM-VIFPVBQESA-N -1 3 252.310 3.114 20 0 CGADHM CC(=O)c1ccc([O-])c(O[C@@H]2CC3CCC2CC3)c1O ZINC001226483319 817371096 /nfs/dbraw/zinc/37/10/96/817371096.db2.gz VREUCJDLALFOMD-QIMFLAQGSA-N -1 3 276.332 3.258 20 0 CGADHM Cc1nc(O[C@H](C)c2cccc(Cl)c2)cc(=O)[n-]1 ZINC001226511453 817380653 /nfs/dbraw/zinc/38/06/53/817380653.db2.gz DSEOWUKTVBEXHD-MRVPVSSYSA-N -1 3 264.712 3.284 20 0 CGADHM Cc1cc(=O)oc2cc([O-])c(O[C@@H]3C[C@H]4C=C[C@@H]3C4)cc12 ZINC001226533066 817390278 /nfs/dbraw/zinc/39/02/78/817390278.db2.gz XZYNGXIADMJJNA-MISXGVKJSA-N -1 3 284.311 3.150 20 0 CGADHM C[C@H]1CCC[C@H](Oc2c([O-])ccc3ccc(=O)oc32)C1 ZINC001226597444 817409848 /nfs/dbraw/zinc/40/98/48/817409848.db2.gz UCEQYIQACCMYLT-JQWIXIFHSA-N -1 3 274.316 3.456 20 0 CGADHM [O-]c1cccc(OC[C@@H]2Cc3ccccc3O2)c1Cl ZINC001226711402 817441859 /nfs/dbraw/zinc/44/18/59/817441859.db2.gz KMUCXZOLBVTLQT-NSHDSACASA-N -1 3 276.719 3.428 20 0 CGADHM COc1ccc2cc([C@H](C)Oc3cc(=O)[n-]cn3)ccc2c1 ZINC001226945602 817512566 /nfs/dbraw/zinc/51/25/66/817512566.db2.gz XSCYSMOGZCOIQD-NSHDSACASA-N -1 3 296.326 3.484 20 0 CGADHM CC[C@H](Oc1ccc(=O)[n-]n1)c1cccc(F)c1C ZINC001227093550 817556501 /nfs/dbraw/zinc/55/65/01/817556501.db2.gz NWZOAPBLAPAYJF-LBPRGKRZSA-N -1 3 262.284 3.160 20 0 CGADHM [O-]c1cc(Br)cc(F)c1O[C@@H]1C=CCC1 ZINC001227586469 817676154 /nfs/dbraw/zinc/67/61/54/817676154.db2.gz AAYHCUWZIRKVJO-MRVPVSSYSA-N -1 3 273.101 3.391 20 0 CGADHM C[C@H](Oc1cc(=O)cc(C(F)(F)F)[n-]1)c1ccccn1 ZINC001227583452 817676689 /nfs/dbraw/zinc/67/66/89/817676689.db2.gz LHPRBODXFAFLJI-QMMMGPOBSA-N -1 3 284.237 3.341 20 0 CGADHM CC(C)=CCC[C@@H](C)Oc1[nH]c(=S)nc2nc[n-]c21 ZINC001227616036 817683223 /nfs/dbraw/zinc/68/32/23/817683223.db2.gz JRDCFRIPQUFKOX-SECBINFHSA-N -1 3 278.381 3.155 20 0 CGADHM [O-]c1cc(Cl)c(O[C@H]2CN3CCC2CC3)cc1Cl ZINC001227641860 817687432 /nfs/dbraw/zinc/68/74/32/817687432.db2.gz SSOIWERJDDZYEM-ZDUSSCGKSA-N -1 3 288.174 3.172 20 0 CGADHM CCC(CC)[C@H](CC)Oc1nc(C(=O)OC)ccc1[O-] ZINC001227819964 817727155 /nfs/dbraw/zinc/72/71/55/817727155.db2.gz KGYYPCDXOFMYCH-ZDUSSCGKSA-N -1 3 281.352 3.167 20 0 CGADHM O=c1nc2cccnc2c(O[C@@H](c2ccccc2)C2CC2)[n-]1 ZINC001228000734 817779480 /nfs/dbraw/zinc/77/94/80/817779480.db2.gz NOAKFCHPTNTUDT-HNNXBMFYSA-N -1 3 293.326 3.261 20 0 CGADHM Cc1ccc2c(c1)[C@H](Oc1nnc(-c3cccnc3)[n-]1)CC2 ZINC001228696342 817975319 /nfs/dbraw/zinc/97/53/19/817975319.db2.gz VEEBWQIKJNIGAL-OAHLLOKOSA-N -1 3 292.342 3.241 20 0 CGADHM Cc1ccc2c(c1)[C@H](Oc1nc(-c3cccnc3)n[n-]1)CC2 ZINC001228696342 817975324 /nfs/dbraw/zinc/97/53/24/817975324.db2.gz VEEBWQIKJNIGAL-OAHLLOKOSA-N -1 3 292.342 3.241 20 0 CGADHM Cc1ccc2c(c1)[C@H](Oc1n[n-]c(-c3cccnc3)n1)CC2 ZINC001228696342 817975331 /nfs/dbraw/zinc/97/53/31/817975331.db2.gz VEEBWQIKJNIGAL-OAHLLOKOSA-N -1 3 292.342 3.241 20 0 CGADHM Cc1ccc2c(c1)CC[C@H]2Oc1nnc(-c2cccnc2)[n-]1 ZINC001228696318 817975683 /nfs/dbraw/zinc/97/56/83/817975683.db2.gz UPEGBHSQEWXEHU-OAHLLOKOSA-N -1 3 292.342 3.241 20 0 CGADHM Cc1ccc2c(c1)CC[C@H]2Oc1nc(-c2cccnc2)n[n-]1 ZINC001228696318 817975688 /nfs/dbraw/zinc/97/56/88/817975688.db2.gz UPEGBHSQEWXEHU-OAHLLOKOSA-N -1 3 292.342 3.241 20 0 CGADHM Cc1ccc2c(c1)CC[C@H]2Oc1n[n-]c(-c2cccnc2)n1 ZINC001228696318 817975693 /nfs/dbraw/zinc/97/56/93/817975693.db2.gz UPEGBHSQEWXEHU-OAHLLOKOSA-N -1 3 292.342 3.241 20 0 CGADHM c1ccc([C@H](Oc2n[n-]c(-c3ccncc3)n2)C2CC2)cc1 ZINC001228696595 817977663 /nfs/dbraw/zinc/97/76/63/817977663.db2.gz ATWLCJFSVVXGPD-HNNXBMFYSA-N -1 3 292.342 3.397 20 0 CGADHM c1cncc(-c2nnc(O[C@H]3CCC=CCCC3)[n-]2)c1 ZINC001228697729 817978052 /nfs/dbraw/zinc/97/80/52/817978052.db2.gz LDAMIPLEJKISQD-ZDUSSCGKSA-N -1 3 270.336 3.134 20 0 CGADHM c1cncc(-c2n[n-]c(O[C@H]3CCC=CCCC3)n2)c1 ZINC001228697729 817978055 /nfs/dbraw/zinc/97/80/55/817978055.db2.gz LDAMIPLEJKISQD-ZDUSSCGKSA-N -1 3 270.336 3.134 20 0 CGADHM c1cncc(-c2nc(O[C@H]3CCC=CCCC3)n[n-]2)c1 ZINC001228697729 817978059 /nfs/dbraw/zinc/97/80/59/817978059.db2.gz LDAMIPLEJKISQD-ZDUSSCGKSA-N -1 3 270.336 3.134 20 0 CGADHM CC1(C)CCC[C@@H](Oc2n[n-]c(-c3ccncc3)n2)C1 ZINC001228699029 817979113 /nfs/dbraw/zinc/97/91/13/817979113.db2.gz CHYNVAGUSURWAW-GFCCVEGCSA-N -1 3 272.352 3.214 20 0 CGADHM O=C1CCc2cc([O-])c(O[C@@H]3CCC(F)(F)C3)cc21 ZINC001228856229 818024966 /nfs/dbraw/zinc/02/49/66/818024966.db2.gz ZXFXVKQFEAOZTO-SECBINFHSA-N -1 3 268.259 3.088 20 0 CGADHM COc1ccccc1[C@H](C)Oc1cccc(-c2nnn[n-]2)c1 ZINC001231115852 818034534 /nfs/dbraw/zinc/03/45/34/818034534.db2.gz JYYKWXNFTZPUHA-NSHDSACASA-N -1 3 296.330 3.015 20 0 CGADHM COc1ccccc1[C@H](C)Oc1cccc(-c2nn[n-]n2)c1 ZINC001231115852 818034541 /nfs/dbraw/zinc/03/45/41/818034541.db2.gz JYYKWXNFTZPUHA-NSHDSACASA-N -1 3 296.330 3.015 20 0 CGADHM [O-]c1cc(CN2CCC3(CCCO3)CC2)ccc1Cl ZINC001231734258 818164255 /nfs/dbraw/zinc/16/42/55/818164255.db2.gz VGTRSIJGQSRIKT-UHFFFAOYSA-N -1 3 281.783 3.191 20 0 CGADHM [O-]c1cc(CN2CCC3(CCOCC3)CC2)cc(F)c1F ZINC001232973298 818488596 /nfs/dbraw/zinc/48/85/96/818488596.db2.gz SKUSCPLOPQJHBK-UHFFFAOYSA-N -1 3 297.345 3.063 20 0 CGADHM CC[C@@H]1CCCN(Cc2cc(Cl)ncc2[O-])C1 ZINC001233039234 818508666 /nfs/dbraw/zinc/50/86/66/818508666.db2.gz QWOREMYZNNFVHE-SNVBAGLBSA-N -1 3 254.761 3.063 20 0 CGADHM CN(Cc1cccc(F)c1)Cc1cccc([O-])c1F ZINC001233050606 818509812 /nfs/dbraw/zinc/50/98/12/818509812.db2.gz RAHGIDQKCXUWKH-UHFFFAOYSA-N -1 3 263.287 3.302 20 0 CGADHM [O-]c1cccc(CN2CCc3ccccc3C2)c1F ZINC001233049906 818509857 /nfs/dbraw/zinc/50/98/57/818509857.db2.gz WXFNGLGAFBOHHU-UHFFFAOYSA-N -1 3 257.308 3.090 20 0 CGADHM CC(=O)c1ccc2c(c1)CN(Cc1cccc([O-])c1F)CC2 ZINC001233056167 818514980 /nfs/dbraw/zinc/51/49/80/818514980.db2.gz DCQGKZQHHKCDST-UHFFFAOYSA-N -1 3 299.345 3.292 20 0 CGADHM CN(Cc1nc2ccccc2o1)Cc1cccc([O-])c1F ZINC001233057393 818515822 /nfs/dbraw/zinc/51/58/22/818515822.db2.gz LEKMGSLCZQNLIZ-UHFFFAOYSA-N -1 3 286.306 3.305 20 0 CGADHM [O-]c1ccc(F)c(CN2CCC[C@@H](C(F)F)C2)c1F ZINC001233395699 818610949 /nfs/dbraw/zinc/61/09/49/818610949.db2.gz KCIKHLWXQLQBSU-MRVPVSSYSA-N -1 3 277.261 3.148 20 0 CGADHM CCCCOC(=O)[C@H](C)Oc1cc(Cl)c([O-])cc1C ZINC001233592790 818652071 /nfs/dbraw/zinc/65/20/71/818652071.db2.gz PCRLJGYJRLFUOV-JTQLQIEISA-N -1 3 286.755 3.465 20 0 CGADHM CCOC(=O)C[C@@H](C)Oc1cc(Cl)c([O-])cc1C ZINC001233592220 818652135 /nfs/dbraw/zinc/65/21/35/818652135.db2.gz KNVNZUJZSNJAHQ-SECBINFHSA-N -1 3 272.728 3.075 20 0 CGADHM COC(=O)[C@@H]1CCC[C@@H](Oc2cc(Cl)c([O-])cc2C)C1 ZINC001233592740 818652342 /nfs/dbraw/zinc/65/23/42/818652342.db2.gz OMLALIFLVOWCDD-GHMZBOCLSA-N -1 3 298.766 3.465 20 0 CGADHM CCOC(=O)[C@H]1CCC[C@@H]1Oc1cc(Cl)c([O-])cc1C ZINC001233592390 818652647 /nfs/dbraw/zinc/65/26/47/818652647.db2.gz MLLUJBFHXIMDQY-GWCFXTLKSA-N -1 3 298.766 3.465 20 0 CGADHM COC(=O)[C@@]1(C)C[C@@H](Oc2cc(Cl)c([O-])cc2C)C1 ZINC001233594836 818653827 /nfs/dbraw/zinc/65/38/27/818653827.db2.gz OLTKZXKWHBKRIL-DEZZCRIOSA-N -1 3 284.739 3.075 20 0 CGADHM Cc1cc([O-])c(Cl)cc1O[C@@H]1CCOC[C@@H]1C ZINC001233596425 818654087 /nfs/dbraw/zinc/65/40/87/818654087.db2.gz XSQGQDHVHGBSCM-JOYOIKCWSA-N -1 3 256.729 3.158 20 0 CGADHM [O-]c1coc2ccc(O[C@@H]3CCc4ccccc43)cc12 ZINC001233676224 818677289 /nfs/dbraw/zinc/67/72/89/818677289.db2.gz CGCRKMZBNPKAHL-QGZVFWFLSA-N -1 3 266.296 3.328 20 0 CGADHM [O-]c1coc2ccc(OC3CCC(F)(F)CC3)cc12 ZINC001233677352 818677631 /nfs/dbraw/zinc/67/76/31/818677631.db2.gz JERVQUBFUYBFTK-UHFFFAOYSA-N -1 3 268.259 3.218 20 0 CGADHM CO[C@@H](C)CO[C@H](C)COc1c(Cl)ccc([O-])c1F ZINC001234262420 818820211 /nfs/dbraw/zinc/82/02/11/818820211.db2.gz ATBRJKRXPWUOOC-DTWKUNHWSA-N -1 3 292.734 3.004 20 0 CGADHM C[C@H](COc1nc2c(cccc2[O-])[nH]1)OCc1ccccc1 ZINC001234446756 818856982 /nfs/dbraw/zinc/85/69/82/818856982.db2.gz HMEJTQVVDGZZHL-GFCCVEGCSA-N -1 3 298.342 3.253 20 0 CGADHM C[C@H](Oc1nc[n-]c(=O)c1-c1ccccc1)C(F)(F)F ZINC001234687802 818914013 /nfs/dbraw/zinc/91/40/13/818914013.db2.gz BSPHLHWGUJBNNY-QMMMGPOBSA-N -1 3 284.237 3.179 20 0 CGADHM C[C@H](Oc1nc[n-]c(=O)c1-c1ccccc1)c1nccs1 ZINC001234690506 818915989 /nfs/dbraw/zinc/91/59/89/818915989.db2.gz CDWNWJVNAYYGNJ-JTQLQIEISA-N -1 3 299.355 3.446 20 0 CGADHM O=c1[n-]cnc(OC2CC(F)(F)C2)c1-c1ccccc1 ZINC001234688838 818916017 /nfs/dbraw/zinc/91/60/17/818916017.db2.gz KZGFGNUPNWOKQG-UHFFFAOYSA-N -1 3 278.258 3.026 20 0 CGADHM C[C@@H]1CC[C@@H](Oc2nc[n-]c(=O)c2-c2ccccc2)C1 ZINC001234692968 818917044 /nfs/dbraw/zinc/91/70/44/818917044.db2.gz SCSIBSXNTWVVFJ-DGCLKSJQSA-N -1 3 270.332 3.417 20 0 CGADHM COC(=O)C[C@H]1CCC[C@@H](Oc2nc3ccsc3[n-]2)C1 ZINC001234846987 818932372 /nfs/dbraw/zinc/93/23/72/818932372.db2.gz GCWQGUWNGIOZEQ-VHSXEESVSA-N -1 3 294.376 3.125 20 0 CGADHM COC(=O)C[C@H]1CCC[C@@H](Oc2nc3sccc3[n-]2)C1 ZINC001234846987 818932377 /nfs/dbraw/zinc/93/23/77/818932377.db2.gz GCWQGUWNGIOZEQ-VHSXEESVSA-N -1 3 294.376 3.125 20 0 CGADHM COC(=O)c1cc(C)cnc1-c1cc([O-])cc(Cl)c1 ZINC001235900009 819209821 /nfs/dbraw/zinc/20/98/21/819209821.db2.gz RUBAQQIWFPPNQX-UHFFFAOYSA-N -1 3 277.707 3.203 20 0 CGADHM CCOC(=O)Cc1ccnc(-c2cc([O-])cc(Cl)c2)c1 ZINC001235903148 819213052 /nfs/dbraw/zinc/21/30/52/819213052.db2.gz CGSJDKSNUOPWCV-UHFFFAOYSA-N -1 3 291.734 3.213 20 0 CGADHM O=c1c(-c2cc([O-])cc(Cl)c2)cccn1CC1CC1 ZINC001235905264 819214527 /nfs/dbraw/zinc/21/45/27/819214527.db2.gz UYLBUSGPAZTGQA-UHFFFAOYSA-N -1 3 275.735 3.284 20 0 CGADHM Clc1nccc(-c2cccc(-c3nnn[n-]3)c2)c1Cl ZINC001243417256 823398513 /nfs/dbraw/zinc/39/85/13/823398513.db2.gz HLTDKGJMHTYYGC-UHFFFAOYSA-N -1 3 292.129 3.236 20 0 CGADHM Clc1nccc(-c2cccc(-c3nn[n-]n3)c2)c1Cl ZINC001243417256 823398520 /nfs/dbraw/zinc/39/85/20/823398520.db2.gz HLTDKGJMHTYYGC-UHFFFAOYSA-N -1 3 292.129 3.236 20 0 CGADHM Cc1cc(-c2nnn[n-]2)ccc1-c1cccnc1OC(C)C ZINC001236108149 819324423 /nfs/dbraw/zinc/32/44/23/819324423.db2.gz HENWLUCAGOPDDW-UHFFFAOYSA-N -1 3 295.346 3.024 20 0 CGADHM Cc1cc(-c2nn[n-]n2)ccc1-c1cccnc1OC(C)C ZINC001236108149 819324430 /nfs/dbraw/zinc/32/44/30/819324430.db2.gz HENWLUCAGOPDDW-UHFFFAOYSA-N -1 3 295.346 3.024 20 0 CGADHM Cc1ccc(F)c(-c2cc3ccccc3n(C)c2=O)c1[O-] ZINC001236405901 819454394 /nfs/dbraw/zinc/45/43/94/819454394.db2.gz KIYYVFOIZRCBAM-UHFFFAOYSA-N -1 3 283.302 3.359 20 0 CGADHM Cc1ccc(F)c(-c2cn(-c3ccccc3)c(=O)cn2)c1[O-] ZINC001236415494 819460656 /nfs/dbraw/zinc/46/06/56/819460656.db2.gz PNURNYMCIOLUFT-UHFFFAOYSA-N -1 3 296.301 3.053 20 0 CGADHM CN(Cc1cnc(Cl)s1)Cc1ccc(F)c([O-])c1 ZINC001236704670 819576620 /nfs/dbraw/zinc/57/66/20/819576620.db2.gz XWLZMCVTGXESRX-UHFFFAOYSA-N -1 3 286.759 3.273 20 0 CGADHM [O-]c1c(F)cc(F)cc1-c1ccc2c(c1)OCCN2 ZINC001243503462 823422538 /nfs/dbraw/zinc/42/25/38/823422538.db2.gz CVSKMMSYVPCIOE-UHFFFAOYSA-N -1 3 263.243 3.142 20 0 CGADHM O=c1[n-]c(Cl)c(CN2Cc3cccc(F)c3C2)s1 ZINC001237150933 819680296 /nfs/dbraw/zinc/68/02/96/819680296.db2.gz KAVGPTVKXMSFPW-UHFFFAOYSA-N -1 3 284.743 3.157 20 0 CGADHM CN(Cc1sc(=O)[n-]c1Cl)Cc1ccccc1 ZINC001237163259 819685821 /nfs/dbraw/zinc/68/58/21/819685821.db2.gz ZUDMLFQWQOFSMZ-UHFFFAOYSA-N -1 3 268.769 3.134 20 0 CGADHM [O-]c1cccc(-c2cnc3ccc(F)cc3n2)c1F ZINC001243542060 823435799 /nfs/dbraw/zinc/43/57/99/823435799.db2.gz FNBCLSIOMLFXID-UHFFFAOYSA-N -1 3 258.227 3.281 20 0 CGADHM [O-]c1cccc(-c2cncc(C(F)(F)F)n2)c1F ZINC001243541085 823436020 /nfs/dbraw/zinc/43/60/20/823436020.db2.gz DBRWVXHTRCDQMK-UHFFFAOYSA-N -1 3 258.174 3.007 20 0 CGADHM CC(=O)Nc1ccc(F)cc1-c1cccc([O-])c1F ZINC001243545014 823437223 /nfs/dbraw/zinc/43/72/23/823437223.db2.gz NEEPUTYAEGUXTB-UHFFFAOYSA-N -1 3 263.243 3.296 20 0 CGADHM CC(C)(C)NC(=O)c1cncc(-c2cccc([O-])c2F)c1 ZINC001243545568 823437795 /nfs/dbraw/zinc/43/77/95/823437795.db2.gz FLBPAISBPAGWJQ-UHFFFAOYSA-N -1 3 288.322 3.122 20 0 CGADHM CC1(C)NC(=O)Cc2ccc(-c3cccc([O-])c3F)cc21 ZINC001243545314 823438063 /nfs/dbraw/zinc/43/80/63/823438063.db2.gz DDKBHPLROSLADZ-UHFFFAOYSA-N -1 3 285.318 3.106 20 0 CGADHM Cc1nc2c(ncc(-c3cccc([O-])c3F)c2C)[nH]1 ZINC001243546953 823438884 /nfs/dbraw/zinc/43/88/84/823438884.db2.gz VKEWBDSJKKWETO-UHFFFAOYSA-N -1 3 257.268 3.086 20 0 CGADHM CC(=O)Nc1ccc(-c2cccc([O-])c2F)c(C)c1 ZINC001243546393 823438937 /nfs/dbraw/zinc/43/89/37/823438937.db2.gz GWCDCNZLSLMSSK-UHFFFAOYSA-N -1 3 259.280 3.465 20 0 CGADHM [O-]c1cccc(-c2ccc3nnc(C(F)(F)F)n3c2)c1F ZINC001243546526 823439082 /nfs/dbraw/zinc/43/90/82/823439082.db2.gz ISTPFFGMXPFBDN-UHFFFAOYSA-N -1 3 297.211 3.260 20 0 CGADHM COC(=O)c1c[nH]c2ccc(-c3cccc([O-])c3F)cc21 ZINC001243547841 823439891 /nfs/dbraw/zinc/43/98/91/823439891.db2.gz XYJKCVBLOLQIFS-UHFFFAOYSA-N -1 3 285.274 3.466 20 0 CGADHM COC(=O)c1ccc(-c2cccc([O-])c2F)c(C)c1F ZINC001243547941 823440150 /nfs/dbraw/zinc/44/01/50/823440150.db2.gz WMPMJIVBZYSVNR-UHFFFAOYSA-N -1 3 278.254 3.432 20 0 CGADHM [O-]c1cc(C(F)(F)F)ccc1-c1cccc2ncnn21 ZINC001243607982 823465457 /nfs/dbraw/zinc/46/54/57/823465457.db2.gz DRWLMFVZUCLYMN-UHFFFAOYSA-N -1 3 279.221 3.121 20 0 CGADHM CSc1ccc(-c2ccc(Cc3nnn[n-]3)cc2)cc1 ZINC001239499356 820347078 /nfs/dbraw/zinc/34/70/78/820347078.db2.gz WKJAFSDYMVLLDN-UHFFFAOYSA-N -1 3 282.372 3.179 20 0 CGADHM CSc1ccc(-c2ccc(Cc3nn[n-]n3)cc2)cc1 ZINC001239499356 820347085 /nfs/dbraw/zinc/34/70/85/820347085.db2.gz WKJAFSDYMVLLDN-UHFFFAOYSA-N -1 3 282.372 3.179 20 0 CGADHM Cc1cc(C)cc(-c2ccc(-c3nnn[n-]3)cc2C)c1 ZINC001239527817 820378091 /nfs/dbraw/zinc/37/80/91/820378091.db2.gz RWGUKGJZNUTRJU-UHFFFAOYSA-N -1 3 264.332 3.459 20 0 CGADHM Cc1cc(C)cc(-c2ccc(-c3nn[n-]n3)cc2C)c1 ZINC001239527817 820378101 /nfs/dbraw/zinc/37/81/01/820378101.db2.gz RWGUKGJZNUTRJU-UHFFFAOYSA-N -1 3 264.332 3.459 20 0 CGADHM COc1ccc(-c2nnn[n-]2)cc1-c1c(C)cc(C)cc1C ZINC001239550518 820402390 /nfs/dbraw/zinc/40/23/90/820402390.db2.gz OXGBVJZANRHSQW-UHFFFAOYSA-N -1 3 294.358 3.468 20 0 CGADHM COc1ccc(-c2nn[n-]n2)cc1-c1c(C)cc(C)cc1C ZINC001239550518 820402397 /nfs/dbraw/zinc/40/23/97/820402397.db2.gz OXGBVJZANRHSQW-UHFFFAOYSA-N -1 3 294.358 3.468 20 0 CGADHM Cc1ccc(-c2ccc(F)c(F)c2)cc1-c1nnn[n-]1 ZINC001239586155 820434556 /nfs/dbraw/zinc/43/45/56/820434556.db2.gz QNOOAPHXBQRVLH-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM Cc1ccc(-c2ccc(F)c(F)c2)cc1-c1nn[n-]n1 ZINC001239586155 820434561 /nfs/dbraw/zinc/43/45/61/820434561.db2.gz QNOOAPHXBQRVLH-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM CC(C)Oc1cccc(-c2ccccc2-c2nnn[n-]2)c1 ZINC001239967718 820746645 /nfs/dbraw/zinc/74/66/45/820746645.db2.gz HNZVSCPRAHVOBH-UHFFFAOYSA-N -1 3 280.331 3.321 20 0 CGADHM CC(C)Oc1cccc(-c2ccccc2-c2nn[n-]n2)c1 ZINC001239967718 820746647 /nfs/dbraw/zinc/74/66/47/820746647.db2.gz HNZVSCPRAHVOBH-UHFFFAOYSA-N -1 3 280.331 3.321 20 0 CGADHM Cc1cc(-c2ccc(F)c(-c3nnn[n-]3)c2)c(C)s1 ZINC001240431540 821051688 /nfs/dbraw/zinc/05/16/88/821051688.db2.gz ZKZKFOXYIKRRBK-UHFFFAOYSA-N -1 3 274.324 3.351 20 0 CGADHM Cc1cc(-c2ccc(F)c(-c3nn[n-]n3)c2)c(C)s1 ZINC001240431540 821051697 /nfs/dbraw/zinc/05/16/97/821051697.db2.gz ZKZKFOXYIKRRBK-UHFFFAOYSA-N -1 3 274.324 3.351 20 0 CGADHM COC(=O)c1ccc(OC)c(-c2cc(F)ccc2[O-])c1F ZINC001240696279 821252891 /nfs/dbraw/zinc/25/28/91/821252891.db2.gz KXVIWSLMCZTOGA-UHFFFAOYSA-N -1 3 294.253 3.133 20 0 CGADHM Cc1cc(-c2nnn[n-]2)ccc1-c1cccc(F)c1C ZINC001240733046 821286282 /nfs/dbraw/zinc/28/62/82/821286282.db2.gz BXZJVMBUZBOLBL-UHFFFAOYSA-N -1 3 268.295 3.290 20 0 CGADHM Cc1cc(-c2nn[n-]n2)ccc1-c1cccc(F)c1C ZINC001240733046 821286292 /nfs/dbraw/zinc/28/62/92/821286292.db2.gz BXZJVMBUZBOLBL-UHFFFAOYSA-N -1 3 268.295 3.290 20 0 CGADHM CCOC(=O)c1ccc(C)c(-c2ccc([O-])c(F)c2)n1 ZINC001240783332 821323266 /nfs/dbraw/zinc/32/32/66/821323266.db2.gz LBJSZSPZOREMLS-UHFFFAOYSA-N -1 3 275.279 3.078 20 0 CGADHM C[C@@H]1C(=O)Nc2ccc(-c3ccc([O-])c(F)c3)cc21 ZINC001240785795 821324401 /nfs/dbraw/zinc/32/44/01/821324401.db2.gz OKYGMNUEVSJKIR-QMMMGPOBSA-N -1 3 257.264 3.254 20 0 CGADHM COc1cc(F)c(F)cc1-c1ccc([O-])c(F)c1 ZINC001240785762 821324418 /nfs/dbraw/zinc/32/44/18/821324418.db2.gz NCOAPMUTBGHKBK-UHFFFAOYSA-N -1 3 254.207 3.485 20 0 CGADHM COc1ncnc2ccc(-c3ccc([O-])c(F)c3)cc21 ZINC001240785984 821324463 /nfs/dbraw/zinc/32/44/63/821324463.db2.gz XQCVXAGEHVWIRE-UHFFFAOYSA-N -1 3 270.263 3.150 20 0 CGADHM [O-]c1ccc(-c2ccc(N3CCOCC3)cc2)cc1F ZINC001240785726 821324843 /nfs/dbraw/zinc/32/48/43/821324843.db2.gz MOMKIWVTROAROG-UHFFFAOYSA-N -1 3 273.307 3.035 20 0 CGADHM CC(=O)Nc1ccc(-c2ccc([O-])c(F)c2)c(C)c1 ZINC001240787217 821328994 /nfs/dbraw/zinc/32/89/94/821328994.db2.gz RRHCZUIXEWRXLC-UHFFFAOYSA-N -1 3 259.280 3.465 20 0 CGADHM CCOC(=O)c1ccc(OC)cc1-c1ccc([O-])c(F)c1 ZINC001240787719 821329009 /nfs/dbraw/zinc/32/90/09/821329009.db2.gz ORKNLAHZVQFYEI-UHFFFAOYSA-N -1 3 290.290 3.384 20 0 CGADHM O=C1NCCC[C@@H]1c1ccc(-c2ccc([O-])c(F)c2)cc1 ZINC001240788835 821330185 /nfs/dbraw/zinc/33/01/85/821330185.db2.gz LXJJICVUUPEZQC-CQSZACIVSA-N -1 3 285.318 3.192 20 0 CGADHM COC(=O)c1noc2ccc(-c3ccc([O-])c(F)c3)cc21 ZINC001240788832 821331141 /nfs/dbraw/zinc/33/11/41/821331141.db2.gz LXGGEYLOVUAKBL-UHFFFAOYSA-N -1 3 287.246 3.126 20 0 CGADHM CC1(C)NC(=O)Cc2c(-c3ccc([O-])c(F)c3)cccc21 ZINC001240789737 821331680 /nfs/dbraw/zinc/33/16/80/821331680.db2.gz BVOKCHOEDXUWBM-UHFFFAOYSA-N -1 3 285.318 3.106 20 0 CGADHM [O-]c1ccc(-c2ccc(OC3CCOCC3)nc2)cc1F ZINC001240791306 821335992 /nfs/dbraw/zinc/33/59/92/821335992.db2.gz YVVXBIISDJAIOE-UHFFFAOYSA-N -1 3 289.306 3.151 20 0 CGADHM CCc1cc(-c2ccccc2[O-])nc(-c2ccncc2)n1 ZINC001241009747 821486428 /nfs/dbraw/zinc/48/64/28/821486428.db2.gz VNBXCDJSFUKQNU-UHFFFAOYSA-N -1 3 277.327 3.474 20 0 CGADHM CSc1ncc(F)c(-c2ccc(C)cc2[O-])n1 ZINC001241030565 821506471 /nfs/dbraw/zinc/50/64/71/821506471.db2.gz MHRAEFCDUQCNBV-UHFFFAOYSA-N -1 3 250.298 3.019 20 0 CGADHM Cc1ccc(-c2nccnc2C(F)(F)F)c([O-])c1 ZINC001241035907 821511640 /nfs/dbraw/zinc/51/16/40/821511640.db2.gz JCEOPPPWGYZDBS-UHFFFAOYSA-N -1 3 254.211 3.176 20 0 CGADHM CC(C)(C)Oc1ncccc1-c1cccc(-c2nnn[n-]2)c1 ZINC001241149573 821601728 /nfs/dbraw/zinc/60/17/28/821601728.db2.gz BXOYSXWNHZJOIV-UHFFFAOYSA-N -1 3 295.346 3.106 20 0 CGADHM CC(C)(C)Oc1ncccc1-c1cccc(-c2nn[n-]n2)c1 ZINC001241149573 821601731 /nfs/dbraw/zinc/60/17/31/821601731.db2.gz BXOYSXWNHZJOIV-UHFFFAOYSA-N -1 3 295.346 3.106 20 0 CGADHM COC(=O)c1cc2cc(-c3cc([O-])cc(F)c3)ncc2o1 ZINC001241260867 821680418 /nfs/dbraw/zinc/68/04/18/821680418.db2.gz AZCAWHVCCAHGLU-UHFFFAOYSA-N -1 3 287.246 3.126 20 0 CGADHM Cc1cc2cccnc2c(-c2cc([O-])cc(F)c2)n1 ZINC001241262157 821680869 /nfs/dbraw/zinc/68/08/69/821680869.db2.gz XGGZUYTYWKKJLA-UHFFFAOYSA-N -1 3 254.264 3.450 20 0 CGADHM [O-]c1cc(F)cc(-c2ccc(-c3ccncc3)nn2)c1 ZINC001241261433 821681407 /nfs/dbraw/zinc/68/14/07/821681407.db2.gz OCZVEIWNMZUGJO-UHFFFAOYSA-N -1 3 267.263 3.050 20 0 CGADHM CC(C)S(=O)(=O)c1ccccc1-c1cc([O-])cc(F)c1 ZINC001241265991 821685679 /nfs/dbraw/zinc/68/56/79/821685679.db2.gz ASDIHBZBIHRIRM-UHFFFAOYSA-N -1 3 294.347 3.380 20 0 CGADHM CCOC(=O)Cc1cccc(-c2cc([O-])cc(F)c2)c1 ZINC001241267009 821686771 /nfs/dbraw/zinc/68/67/71/821686771.db2.gz RGVKVAMFFLQPEP-UHFFFAOYSA-N -1 3 274.291 3.304 20 0 CGADHM CC(=O)Nc1ccc(-c2cc([O-])cc(F)c2)c(F)c1 ZINC001241272080 821691419 /nfs/dbraw/zinc/69/14/19/821691419.db2.gz YSGGHDRRVIBKNB-UHFFFAOYSA-N -1 3 263.243 3.296 20 0 CGADHM [O-]c1cc(F)cc(-c2cc(F)cc(N3CCOCC3)c2)c1 ZINC001241278030 821696489 /nfs/dbraw/zinc/69/64/89/821696489.db2.gz UFSALAPYLSLLAE-UHFFFAOYSA-N -1 3 291.297 3.174 20 0 CGADHM CCn1nnc2c1ccc(-c1cc([O-])cc(F)c1)c2C ZINC001241282484 821702280 /nfs/dbraw/zinc/70/22/80/821702280.db2.gz KVABXZJCPSCLQA-UHFFFAOYSA-N -1 3 271.295 3.271 20 0 CGADHM COC(OC)c1ccc(-c2cc([O-])cc(F)c2)cc1 ZINC001241283139 821702695 /nfs/dbraw/zinc/70/26/95/821702695.db2.gz RTGAMWJFNKPUJJ-UHFFFAOYSA-N -1 3 262.280 3.490 20 0 CGADHM COc1cc(OC)c(-c2c(F)ccc([O-])c2F)cc1OC ZINC001241293563 821710693 /nfs/dbraw/zinc/71/06/93/821710693.db2.gz JHZQHULTGMTDFH-UHFFFAOYSA-N -1 3 296.269 3.363 20 0 CGADHM [O-]c1ccc(F)c(-c2ccc3nnccc3c2)c1F ZINC001241293620 821711206 /nfs/dbraw/zinc/71/12/06/821711206.db2.gz XJHZITADTAQIRQ-UHFFFAOYSA-N -1 3 258.227 3.281 20 0 CGADHM COc1nc2[nH]ccc2cc1-c1c(F)ccc([O-])c1F ZINC001241293810 821712155 /nfs/dbraw/zinc/71/21/55/821712155.db2.gz OZWHPPMYJAOHOC-UHFFFAOYSA-N -1 3 276.242 3.174 20 0 CGADHM Nc1ccc2cc(-c3c(F)ccc([O-])c3F)ccc2n1 ZINC001241293797 821712405 /nfs/dbraw/zinc/71/24/05/821712405.db2.gz OTLOSURHDVDYNZ-UHFFFAOYSA-N -1 3 272.254 3.468 20 0 CGADHM CCc1ccc(-c2ccc(-c3nnn[n-]3)cc2)c(C)c1 ZINC001241443105 821836437 /nfs/dbraw/zinc/83/64/37/821836437.db2.gz NLNDDFZMTUZZNC-UHFFFAOYSA-N -1 3 264.332 3.405 20 0 CGADHM CCc1ccc(-c2ccc(-c3nn[n-]n3)cc2)c(C)c1 ZINC001241443105 821836446 /nfs/dbraw/zinc/83/64/46/821836446.db2.gz NLNDDFZMTUZZNC-UHFFFAOYSA-N -1 3 264.332 3.405 20 0 CGADHM c1cc2cc(-c3ccc(-c4nnn[n-]4)cc3)ccc2cn1 ZINC001241443277 821837136 /nfs/dbraw/zinc/83/71/36/821837136.db2.gz SDWNYEZSXFCSRG-UHFFFAOYSA-N -1 3 273.299 3.082 20 0 CGADHM c1cc2cc(-c3ccc(-c4nn[n-]n4)cc3)ccc2cn1 ZINC001241443277 821837149 /nfs/dbraw/zinc/83/71/49/821837149.db2.gz SDWNYEZSXFCSRG-UHFFFAOYSA-N -1 3 273.299 3.082 20 0 CGADHM c1ncc(-c2cccc(-c3ccc(-c4nnn[n-]4)cc3)c2)o1 ZINC001241444861 821837667 /nfs/dbraw/zinc/83/76/67/821837667.db2.gz XVEWJCIWUSGFMC-UHFFFAOYSA-N -1 3 289.298 3.189 20 0 CGADHM c1ncc(-c2cccc(-c3ccc(-c4nn[n-]n4)cc3)c2)o1 ZINC001241444861 821837670 /nfs/dbraw/zinc/83/76/70/821837670.db2.gz XVEWJCIWUSGFMC-UHFFFAOYSA-N -1 3 289.298 3.189 20 0 CGADHM Cc1ccnc2cc(-c3ccc(-c4nnn[n-]4)cc3)ccc12 ZINC001241444483 821838213 /nfs/dbraw/zinc/83/82/13/821838213.db2.gz CYFUPROEPZKDHP-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM Cc1ccnc2cc(-c3ccc(-c4nn[n-]n4)cc3)ccc12 ZINC001241444483 821838217 /nfs/dbraw/zinc/83/82/17/821838217.db2.gz CYFUPROEPZKDHP-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM Fc1cccc2c1cncc2-c1ccc(-c2nnn[n-]2)cc1 ZINC001241445297 821839737 /nfs/dbraw/zinc/83/97/37/821839737.db2.gz LAERQIBAZNAIBS-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Fc1cccc2c1cncc2-c1ccc(-c2nn[n-]n2)cc1 ZINC001241445297 821839745 /nfs/dbraw/zinc/83/97/45/821839745.db2.gz LAERQIBAZNAIBS-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Cc1c(F)c(F)cc(-c2ccc(-c3nnn[n-]3)cc2)c1F ZINC001241445012 821840631 /nfs/dbraw/zinc/84/06/31/821840631.db2.gz IAOAMZNKEIGNRC-UHFFFAOYSA-N -1 3 290.248 3.259 20 0 CGADHM Cc1c(F)c(F)cc(-c2ccc(-c3nn[n-]n3)cc2)c1F ZINC001241445012 821840637 /nfs/dbraw/zinc/84/06/37/821840637.db2.gz IAOAMZNKEIGNRC-UHFFFAOYSA-N -1 3 290.248 3.259 20 0 CGADHM Cc1cc(-c2ccc(-c3nnn[n-]3)cc2)cnc1OC(C)C ZINC001241445761 821841852 /nfs/dbraw/zinc/84/18/52/821841852.db2.gz XHJAVXCKLNQSAD-UHFFFAOYSA-N -1 3 295.346 3.024 20 0 CGADHM Cc1cc(-c2ccc(-c3nn[n-]n3)cc2)cnc1OC(C)C ZINC001241445761 821841861 /nfs/dbraw/zinc/84/18/61/821841861.db2.gz XHJAVXCKLNQSAD-UHFFFAOYSA-N -1 3 295.346 3.024 20 0 CGADHM C(=Cc1ccccc1-c1nnn[n-]1)Cc1ccccc1 ZINC001242140533 822891108 /nfs/dbraw/zinc/89/11/08/822891108.db2.gz ISZRPGOCOIYKJT-IZZDOVSWSA-N -1 3 262.316 3.123 20 0 CGADHM C(=Cc1ccccc1-c1nn[n-]n1)Cc1ccccc1 ZINC001242140533 822891114 /nfs/dbraw/zinc/89/11/14/822891114.db2.gz ISZRPGOCOIYKJT-IZZDOVSWSA-N -1 3 262.316 3.123 20 0 CGADHM Cc1cc(-c2ccc([O-])c(C(F)(F)F)c2)cn(C)c1=O ZINC001242166061 822900883 /nfs/dbraw/zinc/90/08/83/822900883.db2.gz MCTLHPJSBXLVGM-UHFFFAOYSA-N -1 3 283.249 3.085 20 0 CGADHM COC(=O)c1cc2cc(-c3ccc(F)cc3[O-])ccc2[nH]1 ZINC001242218147 822914780 /nfs/dbraw/zinc/91/47/80/822914780.db2.gz VDAXPSWUMQEPJG-UHFFFAOYSA-N -1 3 285.274 3.466 20 0 CGADHM COC(=O)c1cc(F)cc(-c2ccc(F)cc2[O-])c1C ZINC001242218825 822915455 /nfs/dbraw/zinc/91/54/55/822915455.db2.gz BHZCILIYVIYQCM-UHFFFAOYSA-N -1 3 278.254 3.432 20 0 CGADHM CC1(C)C(=O)NCc2cc(-c3ccc(F)cc3[O-])ccc21 ZINC001242219328 822915638 /nfs/dbraw/zinc/91/56/38/822915638.db2.gz DJYACKXSHPMNAN-UHFFFAOYSA-N -1 3 285.318 3.106 20 0 CGADHM O=C1CSc2cc(-c3ccc(F)cc3[O-])ccc2N1 ZINC001242219017 822915841 /nfs/dbraw/zinc/91/58/41/822915841.db2.gz VAZCFNMPDNHIQI-UHFFFAOYSA-N -1 3 275.304 3.243 20 0 CGADHM COc1cc(-n2ccnc2)ccc1-c1ccc(F)cc1[O-] ZINC001242219731 822916084 /nfs/dbraw/zinc/91/60/84/822916084.db2.gz NXWWOLDUFSEZMX-UHFFFAOYSA-N -1 3 284.290 3.393 20 0 CGADHM CN1Cc2cccc(-c3ccc(F)cc3[O-])c2NC1=O ZINC001242220855 822916952 /nfs/dbraw/zinc/91/69/52/822916952.db2.gz DIWPRLADRWAWLO-UHFFFAOYSA-N -1 3 272.279 3.176 20 0 CGADHM COC(=O)c1cc2[nH]ccc2c(-c2ccc(F)cc2[O-])c1 ZINC001242221656 822917529 /nfs/dbraw/zinc/91/75/29/822917529.db2.gz VSLGWMUONWIAAI-UHFFFAOYSA-N -1 3 285.274 3.466 20 0 CGADHM Fc1cc(-c2nnn[n-]2)cc(-c2ccc3cnccc3c2)c1 ZINC001242245525 822925458 /nfs/dbraw/zinc/92/54/58/822925458.db2.gz NFGCBYUXKLYWIN-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Fc1cc(-c2nn[n-]n2)cc(-c2ccc3cnccc3c2)c1 ZINC001242245525 822925461 /nfs/dbraw/zinc/92/54/61/822925461.db2.gz NFGCBYUXKLYWIN-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM COCOc1cc(-c2cccc(F)c2[O-])ccc1F ZINC001242353880 822963176 /nfs/dbraw/zinc/96/31/76/822963176.db2.gz RVMNYEWTHIJQHP-UHFFFAOYSA-N -1 3 266.243 3.320 20 0 CGADHM CN(C)Cc1ccc(-c2cccc(F)c2[O-])cc1F ZINC001242353741 822963416 /nfs/dbraw/zinc/96/34/16/822963416.db2.gz PJMLJYJNMMDDGM-UHFFFAOYSA-N -1 3 263.287 3.399 20 0 CGADHM CN(C)c1cncc(-c2ccc3c(c2)[N-]C(=S)C3)c1 ZINC001242527917 823020301 /nfs/dbraw/zinc/02/03/01/823020301.db2.gz IWMRSZAEILWPQW-UHFFFAOYSA-N -1 3 269.373 3.110 20 0 CGADHM CC(C)c1nc(C[N-]c2nnc([C@@H]3CCCO3)o2)cs1 ZINC001341832594 936452103 /nfs/dbraw/zinc/45/21/03/936452103.db2.gz WAPKLCQTODVTFZ-JTQLQIEISA-N -1 3 294.380 3.113 20 0 CGADHM O=c1nc(Cl)cc(Sc2ccc(F)c(F)c2)[n-]1 ZINC001472642999 937101993 /nfs/dbraw/zinc/10/19/93/937101993.db2.gz RUHPUMKUHFGMCQ-UHFFFAOYSA-N -1 3 274.679 3.265 20 0 CGADHM CCCC/C=C/[C@@H](C)Oc1nc(C(=O)OC)ccc1[O-] ZINC001227827267 927269838 /nfs/dbraw/zinc/26/98/38/927269838.db2.gz YVCAYSXUUUECGM-WSKFYRRCSA-N -1 3 279.336 3.088 20 0 CGADHM CC(C)(C[N-]C(=O)C(F)(F)C(F)F)c1ccc(F)cc1 ZINC000176470465 927594230 /nfs/dbraw/zinc/59/42/30/927594230.db2.gz MEBKVGGAFMQWET-UHFFFAOYSA-N -1 3 295.251 3.120 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CC=C(c3ccccc3)C2)c1 ZINC000501591110 928047981 /nfs/dbraw/zinc/04/79/81/928047981.db2.gz BNKIYAUOWRFJFP-UHFFFAOYSA-N -1 3 293.366 3.494 20 0 CGADHM [O-]c1ccc(Br)cc1/C=N/CCc1ccco1 ZINC000005292162 928123959 /nfs/dbraw/zinc/12/39/59/928123959.db2.gz BORYACMRQDCWPB-OQLLNIDSSA-N -1 3 294.148 3.409 20 0 CGADHM Cc1ccc(C(=O)Nc2cccc([O-])c2F)c(N)c1Cl ZINC001545835869 937248108 /nfs/dbraw/zinc/24/81/08/937248108.db2.gz SCESQUKHFAUZSH-UHFFFAOYSA-N -1 3 294.713 3.328 20 0 CGADHM CC[C@H](Cc1ccccc1)NC(=O)c1c([O-])cccc1OC ZINC001443070694 937345320 /nfs/dbraw/zinc/34/53/20/937345320.db2.gz ZHJWSLVMBUMOQC-CQSZACIVSA-N -1 3 299.370 3.152 20 0 CGADHM Cc1cccc([O-])c1C(=O)N[C@@H]1C[C@H]1Cc1ccccc1 ZINC001444290163 937351499 /nfs/dbraw/zinc/35/14/99/937351499.db2.gz ZLZHKNOJCGKZAV-HUUCEWRRSA-N -1 3 281.355 3.062 20 0 CGADHM C[C@H]1Cc2cccc(C(=O)Nc3cccc([O-])c3F)c2O1 ZINC001446240279 937362559 /nfs/dbraw/zinc/36/25/59/937362559.db2.gz LMZFCKPMDCMMLI-VIFPVBQESA-N -1 3 287.290 3.107 20 0 CGADHM COc1ccc2[nH]c(NC(=O)c3c(C)cccc3[O-])cc2c1 ZINC001447661692 937370321 /nfs/dbraw/zinc/37/03/21/937370321.db2.gz WAMCPFCIOUUXMB-UHFFFAOYSA-N -1 3 296.326 3.443 20 0 CGADHM Cc1coc(C(=O)Nc2c([O-])cccc2Cl)c1 ZINC001450266908 937384800 /nfs/dbraw/zinc/38/48/00/937384800.db2.gz RXCISXZBVUJLBD-UHFFFAOYSA-N -1 3 251.669 3.199 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2nc(C(C)C)co2)c1 ZINC001449891513 937381637 /nfs/dbraw/zinc/38/16/37/937381637.db2.gz CCXDCQNSTIKALF-UHFFFAOYSA-N -1 3 260.293 3.064 20 0 CGADHM COc1nscc1[N-]C(=O)c1nccc2ccsc21 ZINC001455356308 937417009 /nfs/dbraw/zinc/41/70/09/937417009.db2.gz UVBJPEJHCNQIBP-UHFFFAOYSA-N -1 3 291.357 3.014 20 0 CGADHM [O-]c1cccc(O[C@H]2C[C@H]3C=C[C@@H]2C3)c1Br ZINC001229139620 932102771 /nfs/dbraw/zinc/10/27/71/932102771.db2.gz JJLKGIKMIBKKNU-SBMIAAHKSA-N -1 3 281.149 3.498 20 0 CGADHM S=c1nc(OC2CC2)c2c3c(sc2[n-]1)CCCC3 ZINC001229288075 932128153 /nfs/dbraw/zinc/12/81/53/932128153.db2.gz NFHWXRIAGXSLRP-UHFFFAOYSA-N -1 3 278.402 3.400 20 0 CGADHM Cc1csc2[n-]c(=S)nc(O[C@@H](C)C3CC3)c12 ZINC001229352307 932138317 /nfs/dbraw/zinc/13/83/17/932138317.db2.gz NEEYRNFPXKAAAF-ZETCQYMHSA-N -1 3 266.391 3.466 20 0 CGADHM Cc1csc2[n-]c(=S)nc(OC3CCC3)c12 ZINC001229353497 932139037 /nfs/dbraw/zinc/13/90/37/932139037.db2.gz OZZDNOSZLIIFNA-UHFFFAOYSA-N -1 3 252.364 3.220 20 0 CGADHM S=c1nc(OCCOC2CCCC2)c2ccsc2[n-]1 ZINC001229569144 932173071 /nfs/dbraw/zinc/17/30/71/932173071.db2.gz JRZMCTGXHWLEMG-UHFFFAOYSA-N -1 3 296.417 3.318 20 0 CGADHM Cc1cccc2c1CC[C@@H]2Oc1nc(C)[n-]c(=O)c1C ZINC001229683503 932188369 /nfs/dbraw/zinc/18/83/69/932188369.db2.gz HGTKWVCKTJHMTM-AWEZNQCLSA-N -1 3 270.332 3.174 20 0 CGADHM COc1ccc([C@@H](C)Oc2ccccc2-c2nnn[n-]2)cc1 ZINC001229953972 932508201 /nfs/dbraw/zinc/50/82/01/932508201.db2.gz GVSYREKGOMBZSI-LLVKDONJSA-N -1 3 296.330 3.015 20 0 CGADHM COc1ccc([C@@H](C)Oc2ccccc2-c2nn[n-]n2)cc1 ZINC001229953972 932508203 /nfs/dbraw/zinc/50/82/03/932508203.db2.gz GVSYREKGOMBZSI-LLVKDONJSA-N -1 3 296.330 3.015 20 0 CGADHM CCC[C@@H](C)[C@H](CC)Oc1ccccc1-c1nnn[n-]1 ZINC001229950943 932508409 /nfs/dbraw/zinc/50/84/09/932508409.db2.gz OQZBCVLOUWOTMY-YPMHNXCESA-N -1 3 274.368 3.460 20 0 CGADHM CCC[C@@H](C)[C@H](CC)Oc1ccccc1-c1nn[n-]n1 ZINC001229950943 932508418 /nfs/dbraw/zinc/50/84/18/932508418.db2.gz OQZBCVLOUWOTMY-YPMHNXCESA-N -1 3 274.368 3.460 20 0 CGADHM C[C@H]1CC(Oc2ccc(-c3nn[n-]n3)cc2)C[C@H](C)C1 ZINC001231072689 932670909 /nfs/dbraw/zinc/67/09/09/932670909.db2.gz FVBXBJKJARMKFI-GHMZBOCLSA-N -1 3 272.352 3.070 20 0 CGADHM C[C@@H]1CC[C@@H](Oc2ccc(-c3nn[n-]n3)cc2)C[C@H]1C ZINC001231073560 932672849 /nfs/dbraw/zinc/67/28/49/932672849.db2.gz LPBPMCVMWPQHOX-JTNHKYCSSA-N -1 3 272.352 3.070 20 0 CGADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1 ZINC001231073957 932673212 /nfs/dbraw/zinc/67/32/12/932673212.db2.gz OZRYJXPMXSXFGG-JTQLQIEISA-N -1 3 284.294 3.146 20 0 CGADHM C[C@H]1CCCCCN1Cc1ncc(Br)cc1[O-] ZINC001462113821 937618812 /nfs/dbraw/zinc/61/88/12/937618812.db2.gz CDCFVUXDCALBNK-JTQLQIEISA-N -1 3 299.212 3.314 20 0 CGADHM CCOC(=O)c1c(Cl)[n-]c(=O)cc1O[C@@H]1CC[C@@H](C)C1 ZINC001231091573 932677031 /nfs/dbraw/zinc/67/70/31/932677031.db2.gz XFRCFEIMPFEVNU-RKDXNWHRSA-N -1 3 299.754 3.185 20 0 CGADHM Cc1nc2c(c(=O)[n-]1)CN(Cc1cccc3ccccc31)C2 ZINC001307977783 933028812 /nfs/dbraw/zinc/02/88/12/933028812.db2.gz GBQZAWJQAXEZMJ-UHFFFAOYSA-N -1 3 291.354 3.160 20 0 CGADHM CC(C)c1cc([N-]C(=O)c2coc(C3CCC3)n2)no1 ZINC001463519047 937675883 /nfs/dbraw/zinc/67/58/83/937675883.db2.gz QKDJAMGDSFIPAH-UHFFFAOYSA-N -1 3 275.308 3.306 20 0 CGADHM CC1(NC(=O)c2cc(CCc3ccccc3)ccc2[O-])CC1 ZINC001465167240 937698571 /nfs/dbraw/zinc/69/85/71/937698571.db2.gz JQSWKLBGUJNGHK-UHFFFAOYSA-N -1 3 295.382 3.460 20 0 CGADHM CC(C)[C@@H]1CCCCCN1C(=O)c1ccccc1[O-] ZINC001466447304 937709282 /nfs/dbraw/zinc/70/92/82/937709282.db2.gz DGUUCWCUEGKSTN-AWEZNQCLSA-N -1 3 261.365 3.433 20 0 CGADHM CC(C)(C)O[N-]C(=O)Cc1ccc(C(C)(C)C)cc1 ZINC001319588551 933895326 /nfs/dbraw/zinc/89/53/26/933895326.db2.gz YJIOLHPKBDPOAH-UHFFFAOYSA-N -1 3 263.381 3.373 20 0 CGADHM CC[C@H](NC(=O)c1ccccc1[O-])c1ccc(F)cc1 ZINC001320078426 933992245 /nfs/dbraw/zinc/99/22/45/933992245.db2.gz TVEIKUZSQQJIOH-AWEZNQCLSA-N -1 3 273.307 3.412 20 0 CGADHM CC[C@@H](NC(=O)c1c(C)cccc1[O-])[C@@H]1CC1(C)C ZINC001469142942 937736006 /nfs/dbraw/zinc/73/60/06/937736006.db2.gz STDJBXVCRHRLTH-NWDGAFQWSA-N -1 3 261.365 3.255 20 0 CGADHM Cc1ccc(C(=O)Nc2cc([C@H]3C[C@@H]3C)[nH]n2)c([O-])c1C ZINC001469429688 937739216 /nfs/dbraw/zinc/73/92/16/937739216.db2.gz ISWDKBMGGMEKIQ-CABZTGNLSA-N -1 3 285.347 3.108 20 0 CGADHM CC(C)c1ccc(C(=O)N[C@@H]2C[C@H]2c2ccco2)c([O-])c1 ZINC001468966119 937733780 /nfs/dbraw/zinc/73/37/80/937733780.db2.gz ZVPUTKLAVUEQNU-ZIAGYGMSSA-N -1 3 285.343 3.395 20 0 CGADHM CSc1cccnc1NC(=O)c1cccc(C)c1[O-] ZINC001469788328 937743825 /nfs/dbraw/zinc/74/38/25/937743825.db2.gz WEJSXMLADMFZJW-UHFFFAOYSA-N -1 3 274.345 3.070 20 0 CGADHM C[C@@H]1CC[C@@H]1NC(=O)c1cc2sccc2c([O-])c1 ZINC001322790560 934337768 /nfs/dbraw/zinc/33/77/68/934337768.db2.gz XLZQTCNAYLVTHJ-KCJUWKMLSA-N -1 3 261.346 3.135 20 0 CGADHM CSc1ccc([O-])c(C(=O)NC(C)(C)/C=C/Cl)c1 ZINC001471938951 937770783 /nfs/dbraw/zinc/77/07/83/937770783.db2.gz DYZCSXCSWYIXIT-VOTSOKGWSA-N -1 3 285.796 3.375 20 0 CGADHM CN(Cc1nnc(-c2ccccc2[O-])o1)c1ccc(F)cc1 ZINC001473111195 937792628 /nfs/dbraw/zinc/79/26/28/937792628.db2.gz QAQKQOKRIVGUQP-UHFFFAOYSA-N -1 3 299.305 3.218 20 0 CGADHM O=C(CC(C1CC1)C1CC1)[N-]OCc1ccc(F)cc1 ZINC001325351493 934907024 /nfs/dbraw/zinc/90/70/24/934907024.db2.gz FZFUZUAFYKPFCF-UHFFFAOYSA-N -1 3 277.339 3.200 20 0 CGADHM CC[C@H]1CN([C@H](C(=O)[O-])c2ccccc2Cl)CCS1 ZINC001326813362 935010351 /nfs/dbraw/zinc/01/03/51/935010351.db2.gz VJNFIFQATMLALA-GWCFXTLKSA-N -1 3 299.823 3.293 20 0 CGADHM CC[C@H]1CN([C@@H](C(=O)[O-])c2ccccc2Cl)CCS1 ZINC001326813364 935010473 /nfs/dbraw/zinc/01/04/73/935010473.db2.gz VJNFIFQATMLALA-GXFFZTMASA-N -1 3 299.823 3.293 20 0 CGADHM CC(C)[C@H](C)OC(=O)CCCc1ccc([O-])c(F)c1 ZINC001329440269 935216318 /nfs/dbraw/zinc/21/63/18/935216318.db2.gz RQUYMOWHTTYRFO-NSHDSACASA-N -1 3 268.328 3.442 20 0 CGADHM CC(C)c1ccc(C(=O)NC2CC3(CC3(F)F)C2)c([O-])c1 ZINC001331264022 935363345 /nfs/dbraw/zinc/36/33/45/935363345.db2.gz BVMLLWSBUGXYOM-UHFFFAOYSA-N -1 3 295.329 3.433 20 0 CGADHM O=C([N-]c1cscc1Cl)c1ncoc1[C@H]1CCCO1 ZINC001332401711 935465634 /nfs/dbraw/zinc/46/56/34/935465634.db2.gz KWZZKVNOTXOTOT-SECBINFHSA-N -1 3 298.751 3.493 20 0 CGADHM Cc1cccc2nc([N-]c3cnn4c3NC[C@@H](C)C4)oc21 ZINC001334287146 936094734 /nfs/dbraw/zinc/09/47/34/936094734.db2.gz YGNUBXRMHVRPFR-SECBINFHSA-N -1 3 283.335 3.138 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])c1cnoc1C1CC1 ZINC001335934209 936168167 /nfs/dbraw/zinc/16/81/67/936168167.db2.gz KCKWEPZMAJICOG-UHFFFAOYSA-N -1 3 278.695 3.163 20 0 CGADHM CC(C)c1nnsc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC001337195772 936242989 /nfs/dbraw/zinc/24/29/89/936242989.db2.gz BLEPYESSZHKODQ-UHFFFAOYSA-N -1 3 297.767 3.273 20 0 CGADHM CC[C@@H]1CCN(Cc2c(F)ccc([O-])c2F)[C@@H]1C ZINC001474460448 937860841 /nfs/dbraw/zinc/86/08/41/937860841.db2.gz YMCLFNPJADRSMC-NXEZZACHSA-N -1 3 255.308 3.291 20 0 CGADHM CO[C@@H](CNCc1ccc([O-])c(F)c1F)C1CCCCC1 ZINC001474646615 937872763 /nfs/dbraw/zinc/87/27/63/937872763.db2.gz VQOJTTVFLXDQCA-AWEZNQCLSA-N -1 3 299.361 3.355 20 0 CGADHM [O-]c1ccc(F)c(CNCc2cc(O)ccc2Cl)c1F ZINC001474686146 937875384 /nfs/dbraw/zinc/87/53/84/937875384.db2.gz MWBXWYHHSJZGPP-UHFFFAOYSA-N -1 3 299.704 3.319 20 0 CGADHM CC[C@@H]1CCCC[C@H]1C[N-]S(=O)(=O)c1ccc(C)o1 ZINC001475347765 937882578 /nfs/dbraw/zinc/88/25/78/937882578.db2.gz WEOPUIBZDGYCHX-OLZOCXBDSA-N -1 3 285.409 3.083 20 0 CGADHM O=C([N-]c1nsc2ccccc12)c1ncc(F)cc1F ZINC001530815726 938079670 /nfs/dbraw/zinc/07/96/70/938079670.db2.gz UPTKAVXUUZQMFM-UHFFFAOYSA-N -1 3 291.282 3.222 20 0 CGADHM CCSCC[C@@H](C)NC(=O)c1cc(SC)ccc1[O-] ZINC001544743932 938146765 /nfs/dbraw/zinc/14/67/65/938146765.db2.gz VWXDSEONVVEDCI-SNVBAGLBSA-N -1 3 299.461 3.376 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)N1CC[C@H]1C1CCCCC1 ZINC001551749098 938185193 /nfs/dbraw/zinc/18/51/93/938185193.db2.gz DVELNDFGIJVAJL-HNNXBMFYSA-N -1 3 291.366 3.255 20 0 CGADHM Cc1nc2c(o1)CCC[C@H]2CC(=O)[N-]OC1CCCCC1 ZINC001553583228 938199670 /nfs/dbraw/zinc/19/96/70/938199670.db2.gz LTRJFKOJPJGWAB-LBPRGKRZSA-N -1 3 292.379 3.174 20 0 CGADHM COc1ccc([C@H](C)NC(=O)c2ccccc2[O-])cc1C ZINC001558260712 938214321 /nfs/dbraw/zinc/21/43/21/938214321.db2.gz PJUWLEZPWFXWEC-LBPRGKRZSA-N -1 3 285.343 3.200 20 0 CGADHM CC(C)c1oncc1[N-]C(=O)c1ncnc2ccsc21 ZINC001558341780 938214638 /nfs/dbraw/zinc/21/46/38/938214638.db2.gz FAIYSLRVJYOQET-UHFFFAOYSA-N -1 3 288.332 3.055 20 0 CGADHM CCN(Cc1occc1C)Cc1cccc(C(=O)[O-])c1 ZINC001589736590 950544425 /nfs/dbraw/zinc/54/44/25/950544425.db2.gz DULBVJBOJSUPLH-UHFFFAOYSA-N -1 3 273.332 3.308 20 0 CGADHM Cc1ccc(CN[C@@](C)(C(=O)[O-])c2ccccc2)c(F)c1 ZINC001594361547 958454215 /nfs/dbraw/zinc/45/42/15/958454215.db2.gz VTSWFRZSEWLMHY-QGZVFWFLSA-N -1 3 287.334 3.224 20 0 CGADHM C[C@]1(C(=O)[O-])CCCN(Cc2cccc(F)c2Cl)C1 ZINC000166460058 959310782 /nfs/dbraw/zinc/31/07/82/959310782.db2.gz ZKVSLIICCUUFCU-AWEZNQCLSA-N -1 3 285.746 3.166 20 0 CGADHM C[C@H](NCc1ccccc1C(=O)[O-])c1cc2cnccc2o1 ZINC001603250399 972419530 /nfs/dbraw/zinc/41/95/30/972419530.db2.gz ADBCCGAPKSUDAL-NSHDSACASA-N -1 3 296.326 3.377 20 0 CGADHM CCCC[C@H](NCc1c(Cl)cccc1OC)C(=O)[O-] ZINC000233023080 960311152 /nfs/dbraw/zinc/31/11/52/960311152.db2.gz ULACUIQBCSAJBH-LBPRGKRZSA-N -1 3 285.771 3.082 20 0 CGADHM Cc1cc(C(=O)Nc2cc(Cl)ccc2[O-])sc1C=O ZINC001566638567 960973193 /nfs/dbraw/zinc/97/31/93/960973193.db2.gz IYVJOGNEKYUYSO-UHFFFAOYSA-N -1 3 295.747 3.480 20 0 CGADHM O=C(CCCCc1cccc(O)c1)[N-]OC1CCCCC1 ZINC001567889966 961458007 /nfs/dbraw/zinc/45/80/07/961458007.db2.gz UCNQAVFJKVIRNW-UHFFFAOYSA-N -1 3 291.391 3.486 20 0 CGADHM Cc1c2ccccc2oc1[C@@H](C)N[C@H](C(=O)[O-])C1CC1 ZINC001574306362 962289652 /nfs/dbraw/zinc/28/96/52/962289652.db2.gz HSHCSXAQSUJGCH-YGRLFVJLSA-N -1 3 273.332 3.255 20 0 CGADHM CC(C)CCNc1ccc(C2CC2)c(-c2nnn[n-]2)c1 ZINC001574201254 962293299 /nfs/dbraw/zinc/29/32/99/962293299.db2.gz HXEAPCVQQWDZSJ-UHFFFAOYSA-N -1 3 271.368 3.202 20 0 CGADHM CC(C)CCNc1ccc(C2CC2)c(-c2nn[n-]n2)c1 ZINC001574201254 962293315 /nfs/dbraw/zinc/29/33/15/962293315.db2.gz HXEAPCVQQWDZSJ-UHFFFAOYSA-N -1 3 271.368 3.202 20 0 CGADHM Cc1ccccc1CN(CCCC(=O)[O-])Cc1ccccn1 ZINC001574404660 962303104 /nfs/dbraw/zinc/30/31/04/962303104.db2.gz WICHUUZYTXQVCI-UHFFFAOYSA-N -1 3 298.386 3.257 20 0 CGADHM Fc1ccc(SCc2ccc(-c3nnn[n-]3)s2)cc1 ZINC001581854283 962748161 /nfs/dbraw/zinc/74/81/61/962748161.db2.gz QQUHJPBXIISVSE-UHFFFAOYSA-N -1 3 292.364 3.360 20 0 CGADHM CCc1ccc(C(=O)NC2CC3(CCC3)C2)c([O-])c1 ZINC001583430231 962813655 /nfs/dbraw/zinc/81/36/55/962813655.db2.gz RSNKOAWIWRRCQF-UHFFFAOYSA-N -1 3 259.349 3.017 20 0 CGADHM CCc1nnsc1C(=O)[N-]c1cscc1Cl ZINC001583716298 962844723 /nfs/dbraw/zinc/84/47/23/962844723.db2.gz VPACIQCPEJEKGT-UHFFFAOYSA-N -1 3 273.770 3.068 20 0 CGADHM CCc1ccc(C(=O)N2CCc3ccc(C)cc3C2)c([O-])c1 ZINC001583897063 962868403 /nfs/dbraw/zinc/86/84/03/962868403.db2.gz FQQTUENWXDFMFF-UHFFFAOYSA-N -1 3 295.382 3.462 20 0 CGADHM COc1cccc(C(=O)N(C)c2ccc(C)c(C)c2)c1[O-] ZINC001583976365 962871198 /nfs/dbraw/zinc/87/11/98/962871198.db2.gz JOOLBKZRBMAXBH-UHFFFAOYSA-N -1 3 285.343 3.294 20 0 CGADHM CC(C)(C)SCOc1cc(Cl)ccc1-c1nnn[n-]1 ZINC001589209051 963350686 /nfs/dbraw/zinc/35/06/86/963350686.db2.gz PHTZAIARVBYELO-UHFFFAOYSA-N -1 3 298.799 3.388 20 0 CGADHM CC(C)(C)SCOc1cc(Cl)ccc1-c1nn[n-]n1 ZINC001589209051 963350700 /nfs/dbraw/zinc/35/07/00/963350700.db2.gz PHTZAIARVBYELO-UHFFFAOYSA-N -1 3 298.799 3.388 20 0 CGADHM CC(C)(CNc1cc(F)ccc1-c1nnn[n-]1)C1CCC1 ZINC001589288300 963980245 /nfs/dbraw/zinc/98/02/45/963980245.db2.gz MHIHOCJWTKLQQG-UHFFFAOYSA-N -1 3 289.358 3.244 20 0 CGADHM CC(C)(CNc1cc(F)ccc1-c1nn[n-]n1)C1CCC1 ZINC001589288300 963980263 /nfs/dbraw/zinc/98/02/63/963980263.db2.gz MHIHOCJWTKLQQG-UHFFFAOYSA-N -1 3 289.358 3.244 20 0 CGADHM CCCc1ccc(CN2CCC[C@]2(C)C(=O)[O-])s1 ZINC001589691576 964020321 /nfs/dbraw/zinc/02/03/21/964020321.db2.gz QIWJAJIEAQJXCP-CQSZACIVSA-N -1 3 267.394 3.140 20 0 CGADHM CC[C@@H](CN[C@H](C)c1ncc(C(=O)[O-])s1)CC(F)F ZINC001595165392 979708168 /nfs/dbraw/zinc/70/81/68/979708168.db2.gz CBFDKFLXEPMRJH-HTQZYQBOSA-N -1 3 292.351 3.173 20 0 CGADHM CCCC[C@H](N[C@@H](CF)c1ccc(F)cc1)C(=O)[O-] ZINC001595637516 981931930 /nfs/dbraw/zinc/93/19/30/981931930.db2.gz JXSRLHDBHUFRNG-STQMWFEESA-N -1 3 271.307 3.069 20 0 CGADHM CCCCCN1CCC[C@H]1c1nc(C(=O)[O-])c(C)s1 ZINC001595716791 982325501 /nfs/dbraw/zinc/32/55/01/982325501.db2.gz MFCNUELTHFGNFK-NSHDSACASA-N -1 3 282.409 3.477 20 0 CGADHM CCO[C@@H]1CCC[C@H]1NCc1cc(C(=O)[O-])ccc1Cl ZINC001596974015 986197303 /nfs/dbraw/zinc/19/73/03/986197303.db2.gz FIMLXYLAEXNCNW-ZIAGYGMSSA-N -1 3 297.782 3.085 20 0 CGADHM CCc1[nH]c(CN[C@H](C)c2ccccc2C)cc1C(=O)[O-] ZINC001597394572 987642015 /nfs/dbraw/zinc/64/20/15/987642015.db2.gz ADBVHWAQOGQWSB-GFCCVEGCSA-N -1 3 286.375 3.435 20 0 CGADHM CCc1cccc(CN[C@](C)(CC(=O)[O-])c2ccncc2)c1 ZINC001597587506 988412534 /nfs/dbraw/zinc/41/25/34/988412534.db2.gz ZWAXMAIBNOKXID-GOSISDBHSA-N -1 3 298.386 3.124 20 0 CGADHM CCc1oc(CN2CCC(CC)CC2)cc1C(=O)[O-] ZINC001597795512 989346508 /nfs/dbraw/zinc/34/65/08/989346508.db2.gz CVYAQHHABSPWOL-UHFFFAOYSA-N -1 3 265.353 3.162 20 0 CGADHM CCc1oc(CN2CCC(CCF)CC2)cc1C(=O)[O-] ZINC001597797047 989358177 /nfs/dbraw/zinc/35/81/77/989358177.db2.gz URGCGOYDVRWXJQ-UHFFFAOYSA-N -1 3 283.343 3.112 20 0 CGADHM C[C@H](N[C@H](C(=O)[O-])c1ccc(Cl)cc1)c1cccnc1 ZINC001593190971 994129896 /nfs/dbraw/zinc/12/98/96/994129896.db2.gz ZXXLDOSGHLJYRN-HZMBPMFUSA-N -1 3 290.750 3.212 20 0 CGADHM C[C@@H](N[C@@H](C)c1cncc(F)c1)c1cc(C(=O)[O-])cs1 ZINC001593353010 994971533 /nfs/dbraw/zinc/97/15/33/994971533.db2.gz KHGDHDXFQLTTQF-DTWKUNHWSA-N -1 3 294.351 3.392 20 0 CGADHM CC12CC(C1)CN2[C@@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001594084792 997996004 /nfs/dbraw/zinc/99/60/04/997996004.db2.gz QLPPQPHPLBBCJZ-VTGPFMDVSA-N -1 3 299.292 3.315 20 0 CGADHM CO[C@H](CN[C@H](C)c1cc(C(=O)[O-])co1)c1ccccc1 ZINC001599053366 999203955 /nfs/dbraw/zinc/20/39/55/999203955.db2.gz DPPTYDQQXPWCDT-IAQYHMDHSA-N -1 3 289.331 3.016 20 0 CGADHM CCC[C@H]1C[C@@H](C(=O)Nc2ccc([O-])cc2F)CCO1 ZINC000124494694 187140149 /nfs/dbraw/zinc/14/01/49/187140149.db2.gz ZSCBOEGFXTUXJR-JQWIXIFHSA-N -1 3 281.327 3.065 20 0 CGADHM CCc1cccnc1NC(=O)c1cc(-c2ccc(C)o2)[n-]n1 ZINC000337599883 214175013 /nfs/dbraw/zinc/17/50/13/214175013.db2.gz NBFYQNSTHVMEMK-UHFFFAOYSA-N -1 3 296.330 3.188 20 0 CGADHM CCc1cccnc1NC(=O)c1cc(-c2ccc(C)o2)n[n-]1 ZINC000337599883 214175015 /nfs/dbraw/zinc/17/50/15/214175015.db2.gz NBFYQNSTHVMEMK-UHFFFAOYSA-N -1 3 296.330 3.188 20 0 CGADHM CS[C@H](C)C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000337647495 214196511 /nfs/dbraw/zinc/19/65/11/214196511.db2.gz IGPPDTCEJWUYSM-SECBINFHSA-N -1 3 267.394 3.380 20 0 CGADHM Cc1cccc([O-])c1NC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000651638014 398260187 /nfs/dbraw/zinc/26/01/87/398260187.db2.gz IFORAGWGFRHTIM-FRRDWIJNSA-N -1 3 257.333 3.241 20 0 CGADHM O=C(Nc1ccc([O-])cc1F)[C@@H]1C[C@@H]1C1CCCC1 ZINC000651687444 398269738 /nfs/dbraw/zinc/26/97/38/398269738.db2.gz CPYBTBAKUSVGBS-VXGBXAGGSA-N -1 3 263.312 3.296 20 0 CGADHM CCN1CCc2ccc(NC(=O)c3cc(C)ccc3[O-])cc21 ZINC000590259313 346838765 /nfs/dbraw/zinc/83/87/65/346838765.db2.gz UXAAWFUKQAFVHK-UHFFFAOYSA-N -1 3 296.370 3.335 20 0 CGADHM CCCCCC(=O)Nc1n[n-]c(-c2ccccc2F)n1 ZINC000590404613 346845433 /nfs/dbraw/zinc/84/54/33/346845433.db2.gz IVXLCFHJAVNHML-UHFFFAOYSA-N -1 3 276.315 3.130 20 0 CGADHM C[C@@H]1[C@@H](C)CCN1C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621900791 349604891 /nfs/dbraw/zinc/60/48/91/349604891.db2.gz HTZNEFMJISKVDV-DTWKUNHWSA-N -1 3 287.281 3.282 20 0 CGADHM COCC1(C(=O)Nc2cc(F)ccc2[O-])CCCCC1 ZINC000621902168 349604974 /nfs/dbraw/zinc/60/49/74/349604974.db2.gz XZFXMZTXLRZRBU-UHFFFAOYSA-N -1 3 281.327 3.067 20 0 CGADHM CC[C@@H]1CN(Cc2cc([O-])cc(C(F)(F)F)c2)CCO1 ZINC000356070392 529395966 /nfs/dbraw/zinc/39/59/66/529395966.db2.gz XXYIRPKCPLKOBC-CYBMUJFWSA-N -1 3 289.297 3.022 20 0 CGADHM Cc1cccc([C@H]2CCN(C(=O)c3cccc([O-])c3)C2)c1 ZINC000273110892 192046225 /nfs/dbraw/zinc/04/62/25/192046225.db2.gz BAHGLHJNSZDDBS-INIZCTEOSA-N -1 3 281.355 3.330 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@@]1(C)CC=C(C)CC1 ZINC000622122549 349632283 /nfs/dbraw/zinc/63/22/83/349632283.db2.gz NYCDLHOHZMHQEA-INIZCTEOSA-N -1 3 275.396 3.338 20 0 CGADHM CCc1cnc(S(=O)(=O)[C@H](CC)c2ccc(F)cc2)[n-]1 ZINC000125716284 187197404 /nfs/dbraw/zinc/19/74/04/187197404.db2.gz WHXIORZOGVWBSV-CYBMUJFWSA-N -1 3 296.367 3.036 20 0 CGADHM CCc1c[n-]c(S(=O)(=O)[C@H](CC)c2ccc(F)cc2)n1 ZINC000125716284 187197405 /nfs/dbraw/zinc/19/74/05/187197405.db2.gz WHXIORZOGVWBSV-CYBMUJFWSA-N -1 3 296.367 3.036 20 0 CGADHM O=C(Nc1ccccc1[O-])c1cccc(C(F)(F)F)n1 ZINC000622322207 349672155 /nfs/dbraw/zinc/67/21/55/349672155.db2.gz FADVXRMPDIPGCB-UHFFFAOYSA-N -1 3 282.221 3.058 20 0 CGADHM Cc1ccc(C(=O)NCC2CC(C)(C)C2)c([O-])c1C ZINC000622542720 349684797 /nfs/dbraw/zinc/68/47/97/349684797.db2.gz MQTCFBSZFOKQMH-UHFFFAOYSA-N -1 3 261.365 3.175 20 0 CGADHM CCc1ccc(C(=O)N[C@H]2CC(C)(C)OC2(C)C)c([O-])c1 ZINC000622491548 349683220 /nfs/dbraw/zinc/68/32/20/349683220.db2.gz AYODWRCMMXHLRP-AWEZNQCLSA-N -1 3 291.391 3.031 20 0 CGADHM Cc1ccc(CN(C)C(=O)c2cccc([O-])c2)cc1C ZINC000622671121 349692874 /nfs/dbraw/zinc/69/28/74/349692874.db2.gz ZIDWAIKCBJBUCQ-UHFFFAOYSA-N -1 3 269.344 3.281 20 0 CGADHM Cc1cccc(C(=O)N[C@@H](C)C2CCC(F)CC2)c1[O-] ZINC000622752920 349699927 /nfs/dbraw/zinc/69/99/27/349699927.db2.gz NQDLHBXJKOTGHU-HIFPTAJRSA-N -1 3 279.355 3.347 20 0 CGADHM CCc1ccc(-c2nc([C@@H]3CCOC[C@@H]3C)no2)c([O-])c1 ZINC000436880506 529578178 /nfs/dbraw/zinc/57/81/78/529578178.db2.gz KAOBKQIWLJWPPM-CMPLNLGQSA-N -1 3 288.347 3.145 20 0 CGADHM CCc1ccc(C(=O)N(C)C[C@@H]2CC=CCC2)c([O-])c1 ZINC000436842380 529592828 /nfs/dbraw/zinc/59/28/28/529592828.db2.gz VNMKVPFUEDBEGU-CQSZACIVSA-N -1 3 273.376 3.383 20 0 CGADHM CCc1ccc(C(=O)N(CC(C)C)C2CC2)c([O-])c1 ZINC000436806585 529593530 /nfs/dbraw/zinc/59/35/30/529593530.db2.gz GQZOGIMXYWGJMN-UHFFFAOYSA-N -1 3 261.365 3.215 20 0 CGADHM CCc1ccc(C(=O)N(CCOC)C(CC)CC)c([O-])c1 ZINC000436819093 529594491 /nfs/dbraw/zinc/59/44/91/529594491.db2.gz MZTUGYAVJNTWRW-UHFFFAOYSA-N -1 3 293.407 3.232 20 0 CGADHM CCc1ccc(C(=O)N2CCCC23CCC3)c([O-])c1 ZINC000365622759 529595503 /nfs/dbraw/zinc/59/55/03/529595503.db2.gz JZHANZNPPFTWJX-UHFFFAOYSA-N -1 3 259.349 3.113 20 0 CGADHM CCc1ccc(C(=O)N2CCCC[C@@H]2CC)c([O-])c1 ZINC000436803307 529595656 /nfs/dbraw/zinc/59/56/56/529595656.db2.gz OAOCCJKREDKLEN-ZDUSSCGKSA-N -1 3 261.365 3.359 20 0 CGADHM CCc1ccc(CN[C@@H](C)CCC[C@@H](C)C(=O)[O-])o1 ZINC000426694315 529654736 /nfs/dbraw/zinc/65/47/36/529654736.db2.gz IGQCZJROTWOREH-NEPJUHHUSA-N -1 3 267.369 3.211 20 0 CGADHM CCc1cncc(-c2nc(-c3ccc([O-])cc3)no2)c1 ZINC000436874122 529664936 /nfs/dbraw/zinc/66/49/36/529664936.db2.gz YZBWEMFTPKQLTG-UHFFFAOYSA-N -1 3 267.288 3.067 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CC[C@@H](C)[C@@H]2CC)c1 ZINC000436957734 529691401 /nfs/dbraw/zinc/69/14/01/529691401.db2.gz WYZFRVVWFFGFKJ-RISCZKNCSA-N -1 3 261.365 3.215 20 0 CGADHM Cc1cccc([O-])c1NC(=O)[C@H]1CCCCC1(F)F ZINC000295000513 199292826 /nfs/dbraw/zinc/29/28/26/199292826.db2.gz RTRFQOOEZSJUNF-SNVBAGLBSA-N -1 3 269.291 3.465 20 0 CGADHM Cc1cccc([O-])c1C(=O)N[C@@H](C)CCc1ccco1 ZINC000623501207 349821471 /nfs/dbraw/zinc/82/14/71/349821471.db2.gz OKAZVONUNGHYON-LBPRGKRZSA-N -1 3 273.332 3.045 20 0 CGADHM CCC[C@H](CNCc1cccc([O-])c1Cl)OCC ZINC000623599786 349846020 /nfs/dbraw/zinc/84/60/20/349846020.db2.gz RBULCVWUZPYIKV-GFCCVEGCSA-N -1 3 271.788 3.340 20 0 CGADHM COCCC1(C(=O)Nc2cc(Cl)cc(C)c2[O-])CC1 ZINC000127082407 187281511 /nfs/dbraw/zinc/28/15/11/187281511.db2.gz PTLYCAIWGPXVES-UHFFFAOYSA-N -1 3 283.755 3.109 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2ccc(-n3ccnc3)cc2)c1 ZINC000023889420 344899144 /nfs/dbraw/zinc/89/91/44/344899144.db2.gz OWRBNUOAYRPFCK-UHFFFAOYSA-N -1 3 293.326 3.139 20 0 CGADHM Cc1ccc(NC(=O)c2c[n-]c3ccccc3c2=O)c(F)c1 ZINC000032804108 344933980 /nfs/dbraw/zinc/93/39/80/344933980.db2.gz JEWAKCXRIYZMJQ-UHFFFAOYSA-N -1 3 296.301 3.228 20 0 CGADHM Cc1ccc(NC(=O)c2cnc3ccccc3c2[O-])c(F)c1 ZINC000032804108 344933984 /nfs/dbraw/zinc/93/39/84/344933984.db2.gz JEWAKCXRIYZMJQ-UHFFFAOYSA-N -1 3 296.301 3.228 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2ccc(-c3cc[nH]n3)cc2)c1 ZINC000029278040 344917154 /nfs/dbraw/zinc/91/71/54/344917154.db2.gz VANLJOGBCXATKO-UHFFFAOYSA-N -1 3 293.326 3.343 20 0 CGADHM O=C(Nc1ccccc1[O-])[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000029769671 344919771 /nfs/dbraw/zinc/91/97/71/344919771.db2.gz YZVGJVZNFPMYQT-QWHCGFSZSA-N -1 3 271.291 3.274 20 0 CGADHM CC(C)N(Cc1ccoc1C(=O)[O-])Cc1ccccc1 ZINC000037333424 344949396 /nfs/dbraw/zinc/94/93/96/344949396.db2.gz OWJLAVFRNHCYMG-UHFFFAOYSA-N -1 3 273.332 3.388 20 0 CGADHM O=C([N-]c1cnoc1)c1ccc(-c2ccc(F)cc2)o1 ZINC000623941963 349922344 /nfs/dbraw/zinc/92/23/44/349922344.db2.gz NTSUBGAXPXNJLA-UHFFFAOYSA-N -1 3 272.235 3.326 20 0 CGADHM O=C([N-]c1cnoc1)c1cc2ccc(F)cc2s1 ZINC000623941745 349922950 /nfs/dbraw/zinc/92/29/50/349922950.db2.gz FCOAVLNWZRBNND-UHFFFAOYSA-N -1 3 262.265 3.281 20 0 CGADHM COCc1ccc(C(=O)Nc2cc(Cl)ccc2[O-])cc1 ZINC000067138862 345315888 /nfs/dbraw/zinc/31/58/88/345315888.db2.gz YPFMKSWXIZDZHC-UHFFFAOYSA-N -1 3 291.734 3.444 20 0 CGADHM CCc1noc(C)c1C(=O)[N-]c1c(F)cc(F)cc1F ZINC000072506416 345410309 /nfs/dbraw/zinc/41/03/09/345410309.db2.gz XRDQQGYYRNFHOI-UHFFFAOYSA-N -1 3 284.237 3.215 20 0 CGADHM c1c2ccccc2oc1C[N-]c1nc(C2CC2)no1 ZINC000076683809 345547305 /nfs/dbraw/zinc/54/73/05/345547305.db2.gz WACJOQLKZKXTIO-UHFFFAOYSA-N -1 3 255.277 3.305 20 0 CGADHM CC(C)[C@H]1CCCN(Cc2cc(C(=O)[O-])co2)CC1 ZINC000079349430 345638177 /nfs/dbraw/zinc/63/81/77/345638177.db2.gz AMXMPAHHMCMYJS-LBPRGKRZSA-N -1 3 265.353 3.236 20 0 CGADHM CC[C@@H]1CCCN([C@@H](C)c2ccc(C(=O)[O-])o2)C1 ZINC000091780626 345823669 /nfs/dbraw/zinc/82/36/69/345823669.db2.gz VWZVEOORXATZQW-WDEREUQCSA-N -1 3 251.326 3.161 20 0 CGADHM CCc1cccc(C(=O)N2CCC[C@H](C)[C@H]2C)c1[O-] ZINC000091743625 345822275 /nfs/dbraw/zinc/82/22/75/345822275.db2.gz VONZJVNSEFAAKN-NWDGAFQWSA-N -1 3 261.365 3.215 20 0 CGADHM CCc1cccc(C(=O)N2CCC[C@H](C)[C@@H]2C)c1[O-] ZINC000091743621 345822773 /nfs/dbraw/zinc/82/27/73/345822773.db2.gz VONZJVNSEFAAKN-RYUDHWBXSA-N -1 3 261.365 3.215 20 0 CGADHM C[C@H]1[C@@H](C(=O)[O-])CCN1Cc1cccc(C(F)(F)F)c1 ZINC000092939114 345863707 /nfs/dbraw/zinc/86/37/07/345863707.db2.gz ISOYBRIWXCUGPS-CABZTGNLSA-N -1 3 287.281 3.000 20 0 CGADHM Cc1ccc([O-])c(CN2CCc3c4ccccc4[nH]c3C2)n1 ZINC000093758834 345886579 /nfs/dbraw/zinc/88/65/79/345886579.db2.gz HPJOHMRHQXAGAI-UHFFFAOYSA-N -1 3 293.370 3.135 20 0 CGADHM Cc1ccc(C(=O)N2[C@H](C)C[C@@H]3CCCC[C@@H]32)c([O-])c1 ZINC000173051922 232277553 /nfs/dbraw/zinc/27/75/53/232277553.db2.gz HBIXRTYYHZSHKM-IPYPFGDCSA-N -1 3 273.376 3.494 20 0 CGADHM O=C(Nc1cc(C(F)(F)F)ccc1[O-])[C@H]1C[C@@H]1C1CC1 ZINC000176121538 232331377 /nfs/dbraw/zinc/33/13/77/232331377.db2.gz TVNUWHMTDSWYGK-ZJUUUORDSA-N -1 3 285.265 3.396 20 0 CGADHM Cc1ccc(CN[C@H](C(=O)[O-])c2cccc(F)c2)cc1 ZINC000211532302 346286320 /nfs/dbraw/zinc/28/63/20/346286320.db2.gz NUTUYPKXQFRSJA-HNNXBMFYSA-N -1 3 273.307 3.050 20 0 CGADHM CC[C@@H](C)N(CC)C(=O)c1cc([O-])ccc1Cl ZINC000233851821 346330007 /nfs/dbraw/zinc/33/00/07/346330007.db2.gz QZVKJZCRRQENKF-SECBINFHSA-N -1 3 255.745 3.306 20 0 CGADHM CC[C@@H]1CCCCN1Cc1ccc(C(=O)[O-])c(F)c1 ZINC000233909783 346330397 /nfs/dbraw/zinc/33/03/97/346330397.db2.gz WKUPPUAQLIAQTR-GFCCVEGCSA-N -1 3 265.328 3.288 20 0 CGADHM Cc1oc(CN2CCC[C@H]3CCC[C@H]32)cc1C(=O)[O-] ZINC000228023440 346312564 /nfs/dbraw/zinc/31/25/64/346312564.db2.gz OGUBCRJQXVQPHZ-BXUZGUMPSA-N -1 3 263.337 3.051 20 0 CGADHM CC(C)C1CCN(Cc2ccsc2C(=O)[O-])CC1 ZINC000232541666 346326018 /nfs/dbraw/zinc/32/60/18/346326018.db2.gz VRKVQIAYEIEZFZ-UHFFFAOYSA-N -1 3 267.394 3.314 20 0 CGADHM C[C@@H]1[C@@H](C)CCCN1Cc1ccc(C(=O)[O-])c(F)c1 ZINC000235665439 346337064 /nfs/dbraw/zinc/33/70/64/346337064.db2.gz IFLGQILJWIPJKJ-WDEREUQCSA-N -1 3 265.328 3.144 20 0 CGADHM O=C([O-])c1ccc(CN2CCCCCC2)cc1Cl ZINC000258202892 346400661 /nfs/dbraw/zinc/40/06/61/346400661.db2.gz VLQWKCBZDUVIIM-UHFFFAOYSA-N -1 3 267.756 3.414 20 0 CGADHM Cc1cccc(C(=O)N[C@H]2CCO[C@H](C(C)(C)C)C2)c1[O-] ZINC000270710440 190783056 /nfs/dbraw/zinc/78/30/56/190783056.db2.gz BPMFZTLOSVMNCU-JSGCOSHPSA-N -1 3 291.391 3.024 20 0 CGADHM C[C@@]1(CNCc2cccc([O-])c2Cl)CCCC[C@H]1O ZINC000339289979 215069708 /nfs/dbraw/zinc/06/97/08/215069708.db2.gz FQNDFUBDOZTPGU-HIFRSBDPSA-N -1 3 283.799 3.076 20 0 CGADHM CCSCC[C@H](C)N(C)C(=O)c1c(C)cccc1[O-] ZINC000599621896 347759135 /nfs/dbraw/zinc/75/91/35/347759135.db2.gz AXHDBMOYSGCGNS-LBPRGKRZSA-N -1 3 281.421 3.304 20 0 CGADHM CC1(C)CO[C@H](CSCc2cc(=O)[n-]c(C3CC3)n2)C1 ZINC000601056379 347859937 /nfs/dbraw/zinc/85/99/37/347859937.db2.gz RBFKHVICAYTYKM-LBPRGKRZSA-N -1 3 294.420 3.108 20 0 CGADHM O=C(N[C@@H](CC1CC1)c1ccccc1)c1ccc(O)cc1[O-] ZINC000607862914 348268214 /nfs/dbraw/zinc/26/82/14/348268214.db2.gz ZIRSCJRSEZAXJJ-INIZCTEOSA-N -1 3 297.354 3.369 20 0 CGADHM [O-]c1cc2c(cc1-c1nc(C3CC3)no1)CCCC2 ZINC000273374540 192130482 /nfs/dbraw/zinc/13/04/82/192130482.db2.gz DPHPRGCZDMNNKC-UHFFFAOYSA-N -1 3 256.305 3.198 20 0 CGADHM C[C@H](CC(=O)Nc1cc(Cl)ccc1[O-])[C@@H]1CCCO1 ZINC000612754321 348543923 /nfs/dbraw/zinc/54/39/23/348543923.db2.gz IKSVTLUVHMIEQR-RNCFNFMXSA-N -1 3 283.755 3.189 20 0 CGADHM [O-]c1cc(F)cc(CN2CCO[C@@H](C3CCCCC3)C2)c1 ZINC000351981354 219275566 /nfs/dbraw/zinc/27/55/66/219275566.db2.gz KDQHHQPOSLWJDQ-QGZVFWFLSA-N -1 3 293.382 3.312 20 0 CGADHM Cc1cc(C(=O)N2CCC[C@H](c3ccccn3)C2)ccc1[O-] ZINC000615257856 348728142 /nfs/dbraw/zinc/72/81/42/348728142.db2.gz WFVALLQSPNSRQQ-HNNXBMFYSA-N -1 3 296.370 3.115 20 0 CGADHM Cc1cccc(C(=O)NCc2ccc([C@H]3C[C@@H]3C)o2)c1[O-] ZINC000614752032 348692390 /nfs/dbraw/zinc/69/23/90/348692390.db2.gz GOGOQLUISVYLGE-FZMZJTMJSA-N -1 3 285.343 3.347 20 0 CGADHM CC(C)c1scnc1[N-]C(=O)c1onc2c1CCCC2 ZINC000614959834 348703028 /nfs/dbraw/zinc/70/30/28/348703028.db2.gz IKSDPSGBDLHXFK-UHFFFAOYSA-N -1 3 291.376 3.386 20 0 CGADHM CC(C)c1ccc(C(=O)N2CCC[C@@H]2c2cn[nH]c2)c([O-])c1 ZINC000615895522 348773623 /nfs/dbraw/zinc/77/36/23/348773623.db2.gz PHQJPXQJABJGIN-OAHLLOKOSA-N -1 3 299.374 3.216 20 0 CGADHM CC[C@@H](C)CCNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000617640214 348994234 /nfs/dbraw/zinc/99/42/34/348994234.db2.gz VQLZLEXXZFCSBH-GFCCVEGCSA-N -1 3 281.371 3.406 20 0 CGADHM COc1cccc(OC)c1C=Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000352008623 219286690 /nfs/dbraw/zinc/28/66/90/219286690.db2.gz QPOZNSPYBPVVIY-HJWRWDBZSA-N -1 3 298.342 3.247 20 0 CGADHM CC1(C)CCN(C(=O)c2csc(=O)[n-]2)CC(C)(C)C1 ZINC000618280693 349065748 /nfs/dbraw/zinc/06/57/48/349065748.db2.gz AFDTVVIEUVZYJY-UHFFFAOYSA-N -1 3 282.409 3.137 20 0 CGADHM CCc1cccc(C(=O)Nc2ccc3c(c2)CCOC3)c1[O-] ZINC000618843783 349161162 /nfs/dbraw/zinc/16/11/62/349161162.db2.gz KUDACJDKPIAFQR-UHFFFAOYSA-N -1 3 297.354 3.280 20 0 CGADHM COC(=O)c1ccc(C=Cc2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC000352029319 219295494 /nfs/dbraw/zinc/29/54/94/219295494.db2.gz YEDQRMXSSMOSHB-WTKPLQERSA-N -1 3 296.326 3.017 20 0 CGADHM O=C(NCc1ccc([O-])c(F)c1)[C@@H]1CC12CCCCC2 ZINC000358928075 233216606 /nfs/dbraw/zinc/21/66/06/233216606.db2.gz DWGJYLMFTLHQLP-LBPRGKRZSA-N -1 3 277.339 3.118 20 0 CGADHM CC(C)(C)C(F)(F)CNC(=O)c1cc([O-])ccc1Cl ZINC000620614167 349394685 /nfs/dbraw/zinc/39/46/85/349394685.db2.gz GREJTYSWLSNYJG-UHFFFAOYSA-N -1 3 291.725 3.457 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CCC[C@H]1c1ccccn1 ZINC000624559726 350065017 /nfs/dbraw/zinc/06/50/17/350065017.db2.gz WGJDZRSKBOHKGO-AWEZNQCLSA-N -1 3 282.343 3.073 20 0 CGADHM O=C(NCC[C@@H]1CC=CCC1)NCc1ccc([O-])c(F)c1 ZINC000624695797 350085774 /nfs/dbraw/zinc/08/57/74/350085774.db2.gz IITMDDLTYGHSDF-GFCCVEGCSA-N -1 3 292.354 3.077 20 0 CGADHM Cc1noc(C)c1[N-]C(=O)c1coc(C(F)F)c1 ZINC000624729844 350092782 /nfs/dbraw/zinc/09/27/82/350092782.db2.gz FDTIQSLJLUHUGC-UHFFFAOYSA-N -1 3 256.208 3.074 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CCC[C@H]1CC(C)C ZINC000624963896 350117601 /nfs/dbraw/zinc/11/76/01/350117601.db2.gz MRAZVFPTJLRBCE-ZDUSSCGKSA-N -1 3 261.365 3.351 20 0 CGADHM [O-]c1ccc(Cl)c(CN2CCC[C@H](OCC3CC3)C2)c1 ZINC000625337685 350160668 /nfs/dbraw/zinc/16/06/68/350160668.db2.gz WKOTYLJAGMYTNK-HNNXBMFYSA-N -1 3 295.810 3.437 20 0 CGADHM CCc1nc([C@@H](C)NC(=O)c2c(C)cccc2[O-])cs1 ZINC000625486168 350177865 /nfs/dbraw/zinc/17/78/65/350177865.db2.gz AFYLAFPQVVNKRE-SNVBAGLBSA-N -1 3 290.388 3.211 20 0 CGADHM Cc1cccc([O-])c1C(=O)N[C@H]1CCO[C@H](CC(C)C)C1 ZINC000626378727 350300024 /nfs/dbraw/zinc/30/00/24/350300024.db2.gz ZBUSEEOIAGATOQ-UONOGXRCSA-N -1 3 291.391 3.024 20 0 CGADHM Cc1cc(C(F)F)oc1C(=O)[N-]c1n[nH]c(C2CCC2)n1 ZINC000626451201 350308244 /nfs/dbraw/zinc/30/82/44/350308244.db2.gz WASLBCWQMVVPLS-UHFFFAOYSA-N -1 3 296.277 3.164 20 0 CGADHM O=C(Nc1ccc(OC(F)(F)F)cc1[O-])C12CC(C1)C2 ZINC000626607416 350323303 /nfs/dbraw/zinc/32/33/03/350323303.db2.gz XGJYXGKQXJYYLF-UHFFFAOYSA-N -1 3 287.237 3.029 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CC[C@@H](C)C[C@H](C)C1 ZINC000626243194 350287541 /nfs/dbraw/zinc/28/75/41/350287541.db2.gz LRYGZGAHVGHITD-NEPJUHHUSA-N -1 3 261.365 3.209 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CCC(c2cccnc2)CC1 ZINC000626330754 350295214 /nfs/dbraw/zinc/29/52/14/350295214.db2.gz DMWDDAJFFXMNPH-UHFFFAOYSA-N -1 3 296.370 3.115 20 0 CGADHM CCCn1ncc(NC(=O)c2c(C)cccc2[O-])c1C1CC1 ZINC000627586215 350367781 /nfs/dbraw/zinc/36/77/81/350367781.db2.gz QZUIZFHXTZKFNB-UHFFFAOYSA-N -1 3 299.374 3.437 20 0 CGADHM CCO[C@H](CNC(=O)c1c(C)cccc1[O-])c1ccccc1 ZINC000626679483 350332166 /nfs/dbraw/zinc/33/21/66/350332166.db2.gz VAVVUSNPGCQFSE-MRXNPFEDSA-N -1 3 299.370 3.208 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 ZINC000627691865 350375512 /nfs/dbraw/zinc/37/55/12/350375512.db2.gz QWRWZHMTMCYZHM-KYZVSKTDSA-N -1 3 285.387 3.209 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CCCC[C@H]1C1CCC1 ZINC000627978354 350388260 /nfs/dbraw/zinc/38/82/60/350388260.db2.gz WMCUMSOPPXPTNE-AWEZNQCLSA-N -1 3 273.376 3.495 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000628404166 350528976 /nfs/dbraw/zinc/52/89/76/350528976.db2.gz WIXXCFXMDPPCHO-PHIMTYICSA-N -1 3 283.318 3.064 20 0 CGADHM CC1(C)CCC(C)(C)N(C(=O)c2ccccc2[O-])C1 ZINC000628531706 350567354 /nfs/dbraw/zinc/56/73/54/350567354.db2.gz DXMUYNKPBBKQPF-UHFFFAOYSA-N -1 3 261.365 3.433 20 0 CGADHM Cc1sc(C(=O)[O-])cc1CN1CCCC(F)(F)CC1 ZINC000629367617 350679512 /nfs/dbraw/zinc/67/95/12/350679512.db2.gz BRCNGALVQKCKQF-UHFFFAOYSA-N -1 3 289.347 3.376 20 0 CGADHM O=C([O-])c1sccc1CN1CCCC(F)(F)CC1 ZINC000629367650 350679987 /nfs/dbraw/zinc/67/99/87/350679987.db2.gz CFPHNJHCFDJQQD-UHFFFAOYSA-N -1 3 275.320 3.068 20 0 CGADHM O=C([O-])[C@@H]1CCN(Cc2ccccc2Cl)[C@H]2CCC[C@H]21 ZINC000629374569 350682632 /nfs/dbraw/zinc/68/26/32/350682632.db2.gz XFKATRKJVWDHNW-GUTXKFCHSA-N -1 3 293.794 3.415 20 0 CGADHM Cc1oc(CN2CCCC3(CC3)CC2)cc1C(=O)[O-] ZINC000629375656 350683405 /nfs/dbraw/zinc/68/34/05/350683405.db2.gz LLDUUBWEHHCZNR-UHFFFAOYSA-N -1 3 263.337 3.052 20 0 CGADHM Cc1ccnc([N-]C(=O)c2ocnc2C(F)F)c1C1CC1 ZINC000630018592 350797708 /nfs/dbraw/zinc/79/77/08/350797708.db2.gz GGVUQBZUXJTSNO-UHFFFAOYSA-N -1 3 293.273 3.445 20 0 CGADHM CC(C)c1cnc(S(=O)(=O)[C@H](C)c2ccccc2)[n-]1 ZINC000630432547 350839247 /nfs/dbraw/zinc/83/92/47/350839247.db2.gz OWMIKAALIYGBEY-LLVKDONJSA-N -1 3 278.377 3.068 20 0 CGADHM CC(C)c1c[n-]c(S(=O)(=O)[C@H](C)c2ccccc2)n1 ZINC000630432547 350839248 /nfs/dbraw/zinc/83/92/48/350839248.db2.gz OWMIKAALIYGBEY-LLVKDONJSA-N -1 3 278.377 3.068 20 0 CGADHM Cc1cccc(C)c1CS(=O)(=O)c1ncc(C(C)C)[n-]1 ZINC000630432819 350839303 /nfs/dbraw/zinc/83/93/03/350839303.db2.gz UDSJBISUMFTYFC-UHFFFAOYSA-N -1 3 292.404 3.124 20 0 CGADHM Cc1cccc(C)c1CS(=O)(=O)c1nc(C(C)C)c[n-]1 ZINC000630432819 350839305 /nfs/dbraw/zinc/83/93/05/350839305.db2.gz UDSJBISUMFTYFC-UHFFFAOYSA-N -1 3 292.404 3.124 20 0 CGADHM CC(C)c1ccc(C(=O)N(C)[C@H]2CCSC2)c([O-])c1 ZINC000271431374 191134131 /nfs/dbraw/zinc/13/41/31/191134131.db2.gz OSLOGMADZZIPJD-LBPRGKRZSA-N -1 3 279.405 3.093 20 0 CGADHM Cc1cc(C2CC2)nc([N-]C(=O)c2nc(Cl)cs2)n1 ZINC000291392201 198008478 /nfs/dbraw/zinc/00/84/78/198008478.db2.gz CZIMBKRXRMVGRQ-UHFFFAOYSA-N -1 3 294.767 3.025 20 0 CGADHM C[C@@H]1CCc2[n-]n(Cc3ccccc3Cl)c(=O)c21 ZINC000634597262 351533121 /nfs/dbraw/zinc/53/31/21/351533121.db2.gz GACYVQWQAIIXSR-NOZJJQNGSA-N -1 3 262.740 3.084 20 0 CGADHM C[C@@H]1CCc2[n-]n(Cc3ccc(Cl)cc3)c(=O)c21 ZINC000634607439 351539852 /nfs/dbraw/zinc/53/98/52/351539852.db2.gz XHUJGDOSXKZRFV-RNCFNFMXSA-N -1 3 262.740 3.084 20 0 CGADHM CC(C)c1c(-c2ccccc2)[n-]n([C@H](C)C(F)(F)F)c1=O ZINC000634631175 351552762 /nfs/dbraw/zinc/55/27/62/351552762.db2.gz MNBZRZHUKBINCC-PWSUYJOCSA-N -1 3 298.308 3.456 20 0 CGADHM FC(F)(F)CCc1noc(-c2c[n-]nc2-c2ccco2)n1 ZINC000634666196 351556256 /nfs/dbraw/zinc/55/62/56/351556256.db2.gz PYKZUKWVEGHFNL-UHFFFAOYSA-N -1 3 298.224 3.215 20 0 CGADHM CCc1cccc([N-]S(=O)(=O)c2ccc(F)cc2C)c1 ZINC000635223188 351644403 /nfs/dbraw/zinc/64/44/03/351644403.db2.gz QGLWYNMRSNQUAV-UHFFFAOYSA-N -1 3 293.363 3.497 20 0 CGADHM CC(C)(C(=O)Nc1nnc(-c2ccccn2)[n-]1)C1CCCC1 ZINC000123937739 187114998 /nfs/dbraw/zinc/11/49/98/187114998.db2.gz YWBHIHPUIAOHQO-UHFFFAOYSA-N -1 3 299.378 3.022 20 0 CGADHM CC(C)(C(=O)Nc1nc(-c2ccccn2)n[n-]1)C1CCCC1 ZINC000123937739 187114999 /nfs/dbraw/zinc/11/49/99/187114999.db2.gz YWBHIHPUIAOHQO-UHFFFAOYSA-N -1 3 299.378 3.022 20 0 CGADHM CC(C)(C(=O)Nc1n[n-]c(-c2ccccn2)n1)C1CCCC1 ZINC000123937739 187115000 /nfs/dbraw/zinc/11/50/00/187115000.db2.gz YWBHIHPUIAOHQO-UHFFFAOYSA-N -1 3 299.378 3.022 20 0 CGADHM CC[C@H](C)CON=C([O-])Nc1c(F)cccc1F ZINC000291951486 198115451 /nfs/dbraw/zinc/11/54/51/198115451.db2.gz VKNJRAZRGNRXBF-QMMMGPOBSA-N -1 3 258.268 3.064 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)Nc1c(F)cccc1F ZINC000291951486 198115452 /nfs/dbraw/zinc/11/54/52/198115452.db2.gz VKNJRAZRGNRXBF-QMMMGPOBSA-N -1 3 258.268 3.064 20 0 CGADHM CC1(C)CN(C(=O)c2cc(=O)c3ccccc3[n-]2)[C@H]1C1CC1 ZINC000291939534 198111012 /nfs/dbraw/zinc/11/10/12/198111012.db2.gz PKZUXCZVZHVJHC-INIZCTEOSA-N -1 3 296.370 3.201 20 0 CGADHM CCc1ccc([C@H](C)CC(=O)[N-]OCc2cccnc2)cc1 ZINC000152347321 188011324 /nfs/dbraw/zinc/01/13/24/188011324.db2.gz ZCZGMYKTROXOJO-CQSZACIVSA-N -1 3 298.386 3.386 20 0 CGADHM CCCCO[C@H](C)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000153520628 188087303 /nfs/dbraw/zinc/08/73/03/188087303.db2.gz MCZFTWLVBZBFIN-SECBINFHSA-N -1 3 271.744 3.189 20 0 CGADHM CC(C)CC1(C(=O)[N-]OCc2cccnc2)CCCC1 ZINC000155852845 188231442 /nfs/dbraw/zinc/23/14/42/188231442.db2.gz SLXKCQZDJWCJFL-UHFFFAOYSA-N -1 3 276.380 3.236 20 0 CGADHM Cc1cc(F)ccc1NC(=O)[N-]OCCC(F)(F)F ZINC000156169516 188246986 /nfs/dbraw/zinc/24/69/86/188246986.db2.gz VLIRUIKHELXCIS-UHFFFAOYSA-N -1 3 280.221 3.140 20 0 CGADHM CCC[C@H](OC)c1noc(-c2cccc(C)c2[O-])n1 ZINC000157385424 188313404 /nfs/dbraw/zinc/31/34/04/188313404.db2.gz KNSWLTPBQIJASP-NSHDSACASA-N -1 3 262.309 3.238 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)Nc1ccc2c(c1)C(=O)CCC2 ZINC000292637776 198359586 /nfs/dbraw/zinc/35/95/86/198359586.db2.gz HEUWHIGZDWWDRB-LLVKDONJSA-N -1 3 290.363 3.305 20 0 CGADHM Cc1nn(C(C)(C)C)cc1[C@@H](C)[N-]c1nnc(C(F)F)o1 ZINC000292662318 198366648 /nfs/dbraw/zinc/36/66/48/198366648.db2.gz AJHVWOGRJNJTAM-SSDOTTSWSA-N -1 3 299.325 3.440 20 0 CGADHM COc1ccc(NC(=O)[N-]OCC(C)C)cc1Cl ZINC000158245604 188365802 /nfs/dbraw/zinc/36/58/02/188365802.db2.gz BPCJZQUFILDDTE-UHFFFAOYSA-N -1 3 272.732 3.058 20 0 CGADHM Cc1ccc(C(=O)Nc2cc(C(C)(C)C)ccc2[O-])nn1 ZINC000411201681 235036514 /nfs/dbraw/zinc/03/65/14/235036514.db2.gz SEQSTSMMEQPATL-UHFFFAOYSA-N -1 3 285.347 3.040 20 0 CGADHM [O-]C(=NOC1CCCC1)Nc1ccc(F)cc1Cl ZINC000271780705 191322321 /nfs/dbraw/zinc/32/23/21/191322321.db2.gz HSNGSVALHSOOOB-UHFFFAOYSA-N -1 3 272.707 3.475 20 0 CGADHM O=C([N-]OC1CCCC1)Nc1ccc(F)cc1Cl ZINC000271780705 191322322 /nfs/dbraw/zinc/32/23/22/191322322.db2.gz HSNGSVALHSOOOB-UHFFFAOYSA-N -1 3 272.707 3.475 20 0 CGADHM CCCN(CC(=O)[O-])Cc1cccc(Cl)c1OCC ZINC000414689255 283112841 /nfs/dbraw/zinc/11/28/41/283112841.db2.gz ZMTAQFMQHMWILV-UHFFFAOYSA-N -1 3 285.771 3.035 20 0 CGADHM Cc1cccc([C@@H]2CCN(C(=O)c3c([O-])cccc3O)C2)c1 ZINC000273538146 192192143 /nfs/dbraw/zinc/19/21/43/192192143.db2.gz SQNGLBXLJQKQCZ-CQSZACIVSA-N -1 3 297.354 3.036 20 0 CGADHM Cc1ccc(CCCC(=O)Nc2ccncc2[O-])cc1 ZINC000109890840 138362281 /nfs/dbraw/zinc/36/22/81/138362281.db2.gz HILPBOYZNDCXAM-UHFFFAOYSA-N -1 3 270.332 3.057 20 0 CGADHM CCOC(=O)c1ccc(NC(=O)c2ccccc2C)c([O-])c1 ZINC000124768850 138377392 /nfs/dbraw/zinc/37/73/92/138377392.db2.gz VCYCTHNRUYQTKY-UHFFFAOYSA-N -1 3 299.326 3.130 20 0 CGADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1cccnc1 ZINC000125257356 138380924 /nfs/dbraw/zinc/38/09/24/138380924.db2.gz ISKKLTWYEKPJFP-UHFFFAOYSA-N -1 3 282.221 3.058 20 0 CGADHM O=C(c1ccc(O)cc1[O-])N1CCC[C@H]1c1cccs1 ZINC000192917824 138481229 /nfs/dbraw/zinc/48/12/29/138481229.db2.gz ZXFKNJMYBFSUOW-LBPRGKRZSA-N -1 3 289.356 3.137 20 0 CGADHM CC(C)=CCC[C@H](C)[N-]S(=O)(=O)c1ccc(C)o1 ZINC000451739545 535368685 /nfs/dbraw/zinc/36/86/85/535368685.db2.gz KENNAUDVBKAJHX-NSHDSACASA-N -1 3 271.382 3.001 20 0 CGADHM CC[C@H](C)[C@H](CNCc1cccc([O-])c1Cl)OC ZINC000294346365 199006462 /nfs/dbraw/zinc/00/64/62/199006462.db2.gz YUTYEIASYWTQRN-GWCFXTLKSA-N -1 3 271.788 3.196 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CC[C@H](Nc3ccccc3)C2)c1 ZINC000336244944 213077109 /nfs/dbraw/zinc/07/71/09/213077109.db2.gz ZHPNOGAZTFWGMC-HNNXBMFYSA-N -1 3 296.370 3.027 20 0 CGADHM COc1cccc(Cl)c1CN[C@H](C)[C@@H](C(=O)[O-])C(C)C ZINC000424617949 236173084 /nfs/dbraw/zinc/17/30/84/236173084.db2.gz JDCMCVURRKSKAI-YGRLFVJLSA-N -1 3 299.798 3.184 20 0 CGADHM COc1cc(Cl)cc(C(=O)Nc2cccc([O-])c2F)c1 ZINC000336237412 213069298 /nfs/dbraw/zinc/06/92/98/213069298.db2.gz BOSPYOPGKOLBGS-UHFFFAOYSA-N -1 3 295.697 3.446 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)N[C@@H]1CCC[C@H](C2CC2)C1 ZINC000425145617 236216836 /nfs/dbraw/zinc/21/68/36/236216836.db2.gz GWMUWBPLHMQHBT-UONOGXRCSA-N -1 3 291.366 3.159 20 0 CGADHM Cc1ccc([C@@H](NCc2ccccc2C)C(=O)[O-])cc1 ZINC000426703360 236307240 /nfs/dbraw/zinc/30/72/40/236307240.db2.gz KYBMCHOVVRXWKN-MRXNPFEDSA-N -1 3 269.344 3.219 20 0 CGADHM CC[C@@H]1CCC[C@H]1C(=O)Nc1cccc([O-])c1F ZINC000336186413 213005147 /nfs/dbraw/zinc/00/51/47/213005147.db2.gz UHGKWFBBYWOWPZ-NXEZZACHSA-N -1 3 251.301 3.296 20 0 CGADHM O=C([O-])c1ccc(CN[C@@H]2CCO[C@H]2c2ccccc2)cc1 ZINC000263576971 295990249 /nfs/dbraw/zinc/99/02/49/295990249.db2.gz QZMZSWSAYPCTNE-SJORKVTESA-N -1 3 297.354 3.005 20 0 CGADHM C[C@]1(c2nc(-c3ccc([O-])cc3)no2)C[C@H]2C[C@H]2C1 ZINC000436515524 237119075 /nfs/dbraw/zinc/11/90/75/237119075.db2.gz RUDJNPDYDYEGIC-HBYGRHMLSA-N -1 3 256.305 3.130 20 0 CGADHM Cc1ccc(C(=O)N2CCC(C)(C3CC3)CC2)c([O-])c1 ZINC000436605200 237143295 /nfs/dbraw/zinc/14/32/95/237143295.db2.gz KVDKCSUIROAHSN-UHFFFAOYSA-N -1 3 273.376 3.353 20 0 CGADHM Cc1ccc(C(=O)N[C@@H](C)CCc2ccco2)c([O-])c1C ZINC000436624385 237143628 /nfs/dbraw/zinc/14/36/28/237143628.db2.gz LFPJEZDWMSTDLB-LBPRGKRZSA-N -1 3 287.359 3.353 20 0 CGADHM COc1ccc(C(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)c([O-])c1 ZINC000436590116 237137359 /nfs/dbraw/zinc/13/73/59/237137359.db2.gz RGYMYDNCWFSAEE-RWMBFGLXSA-N -1 3 289.375 3.099 20 0 CGADHM Cc1cc(C(=O)N2C[C@H](C)CC(C)(C)C2)ccc1[O-] ZINC000436829451 237189187 /nfs/dbraw/zinc/18/91/87/237189187.db2.gz BEEIYXVAYYAXHK-LLVKDONJSA-N -1 3 261.365 3.209 20 0 CGADHM COCC(C)(C)CCCNC(=O)c1ccc(C)c(C)c1[O-] ZINC000436731722 237170578 /nfs/dbraw/zinc/17/05/78/237170578.db2.gz AKYPPFQCWXXUAZ-UHFFFAOYSA-N -1 3 293.407 3.192 20 0 CGADHM O=C(NCC1CC1)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436753336 237175896 /nfs/dbraw/zinc/17/58/96/237175896.db2.gz DSDOFNVZRKBZDR-UHFFFAOYSA-N -1 3 297.354 3.111 20 0 CGADHM Cc1ccc(C(C)(C)CNC(=O)c2ccc(O)cc2[O-])cc1 ZINC000436768148 237178321 /nfs/dbraw/zinc/17/83/21/237178321.db2.gz DLWWLDGJSYUACU-UHFFFAOYSA-N -1 3 299.370 3.114 20 0 CGADHM COC1CCC(CCNC(=O)c2cc(C)ccc2[O-])CC1 ZINC000436941694 237219560 /nfs/dbraw/zinc/21/95/60/237219560.db2.gz RDVCPVBCWJEQHF-UHFFFAOYSA-N -1 3 291.391 3.026 20 0 CGADHM Cc1ccc(C(=O)N(C)Cc2ccc(F)c(C)c2)c([O-])c1 ZINC000437007063 237229489 /nfs/dbraw/zinc/22/94/89/237229489.db2.gz ZPMDTCOFHKKTGL-UHFFFAOYSA-N -1 3 287.334 3.420 20 0 CGADHM CC(F)(F)CCC[N-]S(=O)(=O)c1ccccc1Cl ZINC000297215672 200116695 /nfs/dbraw/zinc/11/66/95/200116695.db2.gz VPRXCSXBZJRRAM-UHFFFAOYSA-N -1 3 297.754 3.054 20 0 CGADHM Cc1cc(NC([O-])=NOC(C)C)nn1C1CCCCC1 ZINC000297270177 200131755 /nfs/dbraw/zinc/13/17/55/200131755.db2.gz DIWOAXWUVYCGKI-UHFFFAOYSA-N -1 3 280.372 3.158 20 0 CGADHM Cc1cc(NC(=O)[N-]OC(C)C)nn1C1CCCCC1 ZINC000297270177 200131756 /nfs/dbraw/zinc/13/17/56/200131756.db2.gz DIWOAXWUVYCGKI-UHFFFAOYSA-N -1 3 280.372 3.158 20 0 CGADHM [O-]C(=NOC1CCCC1)Nc1ccccc1OCCF ZINC000297345086 200156542 /nfs/dbraw/zinc/15/65/42/200156542.db2.gz JARDZCMVIXSENU-UHFFFAOYSA-N -1 3 282.315 3.031 20 0 CGADHM O=C([N-]OC1CCCC1)Nc1ccccc1OCCF ZINC000297345086 200156543 /nfs/dbraw/zinc/15/65/43/200156543.db2.gz JARDZCMVIXSENU-UHFFFAOYSA-N -1 3 282.315 3.031 20 0 CGADHM CCc1cc(C(=O)Nc2ccc3oc(=O)[nH]c3c2)ccc1[O-] ZINC000341661888 216054615 /nfs/dbraw/zinc/05/46/15/216054615.db2.gz SBUZSZNEEIKJOE-UHFFFAOYSA-N -1 3 298.298 3.054 20 0 CGADHM CCOc1cc(CN2CCO[C@H](CC)C2)cc(Cl)c1[O-] ZINC000298004976 200316807 /nfs/dbraw/zinc/31/68/07/200316807.db2.gz ZYCLKYUVVMUXTB-GFCCVEGCSA-N -1 3 299.798 3.055 20 0 CGADHM CC[C@@]1(C)Oc2ccc(NC([O-])=NOC(C)C)cc2O1 ZINC000297976901 200311425 /nfs/dbraw/zinc/31/14/25/200311425.db2.gz ZGDCDFXLKFACRO-AWEZNQCLSA-N -1 3 280.324 3.046 20 0 CGADHM CC[C@@]1(C)Oc2ccc(NC(=O)[N-]OC(C)C)cc2O1 ZINC000297976901 200311426 /nfs/dbraw/zinc/31/14/26/200311426.db2.gz ZGDCDFXLKFACRO-AWEZNQCLSA-N -1 3 280.324 3.046 20 0 CGADHM O=C(Nc1ccccc1[O-])c1csc(-c2ccoc2)n1 ZINC000342059225 216204813 /nfs/dbraw/zinc/20/48/13/216204813.db2.gz IFOMBXBGGZOODB-UHFFFAOYSA-N -1 3 286.312 3.361 20 0 CGADHM O=C(CCCC1CCCC1)N=c1cc(-c2ccncc2)[n-][nH]1 ZINC000439141285 238233013 /nfs/dbraw/zinc/23/30/13/238233013.db2.gz KGWPZDRWLDPOCW-UHFFFAOYSA-N -1 3 298.390 3.193 20 0 CGADHM CC(C)c1noc([N-]Cc2c(Cl)nc3ccccn32)n1 ZINC000181858407 189308832 /nfs/dbraw/zinc/30/88/32/189308832.db2.gz OMGQIHZRZGUUTF-UHFFFAOYSA-N -1 3 291.742 3.106 20 0 CGADHM CCS[C@H]1CCCC[C@H]1NC(=O)c1cccc([O-])c1 ZINC000182567974 189327656 /nfs/dbraw/zinc/32/76/56/189327656.db2.gz LIZMHCZJASYZSP-KGLIPLIRSA-N -1 3 279.405 3.186 20 0 CGADHM CC[C@H](OC1CCCC1)C(=O)Nc1ccc([O-])cc1F ZINC000183240934 189351414 /nfs/dbraw/zinc/35/14/14/189351414.db2.gz FWDJOASPZBBWHE-AWEZNQCLSA-N -1 3 281.327 3.208 20 0 CGADHM C[C@H]1C[C@H]1CNC(=O)CCc1ccc2ccccc2c1[O-] ZINC000448701681 239027515 /nfs/dbraw/zinc/02/75/15/239027515.db2.gz UBTSMRSWQLJHGO-WFASDCNBSA-N -1 3 283.371 3.250 20 0 CGADHM Cc1ccc(CN(C)C(=O)c2ccc3c(c2[O-])CCCC3)o1 ZINC000184906568 189398777 /nfs/dbraw/zinc/39/87/77/189398777.db2.gz XNKTZXRGZWPAIA-UHFFFAOYSA-N -1 3 299.370 3.445 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)NCCC1=CCCCCC1 ZINC000450654350 240019864 /nfs/dbraw/zinc/01/98/64/240019864.db2.gz QYKRGDRRHJRROD-UHFFFAOYSA-N -1 3 291.366 3.471 20 0 CGADHM FC(F)(F)c1csc(=NC[C@@H]2C[C@H]2C2CC2)[n-]1 ZINC000450930262 240155705 /nfs/dbraw/zinc/15/57/05/240155705.db2.gz VZYYRYUQVWFVLV-YUMQZZPRSA-N -1 3 262.300 3.042 20 0 CGADHM CCC[C@H](CC(C)C)C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000451327048 240275987 /nfs/dbraw/zinc/27/59/87/240275987.db2.gz FNYQNPJJYZFUQU-TZMCWYRMSA-N -1 3 293.411 3.084 20 0 CGADHM CN(C(=O)Cc1ccc([O-])c(F)c1)[C@@H]1CCC(C)(C)C1 ZINC000451363053 240281732 /nfs/dbraw/zinc/28/17/32/240281732.db2.gz RPHTXXNTCHWEPJ-GFCCVEGCSA-N -1 3 279.355 3.111 20 0 CGADHM O=C(NC[C@H]1CCCCC(F)(F)C1)c1c([O-])cccc1O ZINC000451947005 240384353 /nfs/dbraw/zinc/38/43/53/240384353.db2.gz ODHUSBBZHDRREU-JTQLQIEISA-N -1 3 299.317 3.043 20 0 CGADHM Cc1ccc(NC(=O)[C@H]2CCC(=O)[C@@H](C)C2(C)C)c([O-])c1 ZINC000275395338 193019498 /nfs/dbraw/zinc/01/94/98/193019498.db2.gz AJIJLDLHXYHKEH-VXGBXAGGSA-N -1 3 289.375 3.281 20 0 CGADHM C[C@H]1[C@@H](C(=O)Nc2cc(C(F)(F)F)ccc2[O-])C1(F)F ZINC000461456423 242306441 /nfs/dbraw/zinc/30/64/41/242306441.db2.gz MYGPIRXVVZMBLY-CDUCUWFYSA-N -1 3 295.207 3.251 20 0 CGADHM CCC(CC)(CC)[N-]S(=O)(=O)c1sccc1OC ZINC000121692806 370886497 /nfs/dbraw/zinc/88/64/97/370886497.db2.gz YYODJOPOVIBPKL-UHFFFAOYSA-N -1 3 291.438 3.004 20 0 CGADHM CCc1cc(C(=O)N[C@@H](C)c2ccc(OC)cc2)ccc1[O-] ZINC000485676086 243338995 /nfs/dbraw/zinc/33/89/95/243338995.db2.gz ZOQJWHXQZVLMLL-LBPRGKRZSA-N -1 3 299.370 3.454 20 0 CGADHM O=C(c1ccccc1[O-])N1CC[C@H](c2ccccc2)C1 ZINC000011639225 368593269 /nfs/dbraw/zinc/59/32/69/368593269.db2.gz QGPNLCPNDAFOFG-AWEZNQCLSA-N -1 3 267.328 3.022 20 0 CGADHM O=C(Nc1cccnc1)c1c[n-]nc1-c1ccc(Cl)cc1 ZINC000014213283 368678137 /nfs/dbraw/zinc/67/81/37/368678137.db2.gz BBNKMFHBXJZDHR-UHFFFAOYSA-N -1 3 298.733 3.377 20 0 CGADHM CCN(C(=O)c1ccc(C)cc1[O-])C1CCCCC1 ZINC000019839483 368771495 /nfs/dbraw/zinc/77/14/95/368771495.db2.gz UQJNGQNVMURKMI-UHFFFAOYSA-N -1 3 261.365 3.495 20 0 CGADHM Cc1ccc([O-])c(C(=O)N(C)Cc2ccccc2F)c1 ZINC000023484059 368822174 /nfs/dbraw/zinc/82/21/74/368822174.db2.gz DUKAAVVRESRFRC-UHFFFAOYSA-N -1 3 273.307 3.112 20 0 CGADHM COCc1cccc(NC(=O)c2cc(C)ccc2[O-])c1 ZINC000025334658 368844433 /nfs/dbraw/zinc/84/44/33/368844433.db2.gz BWKXEOIRUVCJEJ-UHFFFAOYSA-N -1 3 271.316 3.099 20 0 CGADHM Cc1ccc(F)cc1NC(=O)c1cc(-c2ccco2)[n-]n1 ZINC000028273784 368884608 /nfs/dbraw/zinc/88/46/08/368884608.db2.gz SOVGFMLOQKNKOD-UHFFFAOYSA-N -1 3 285.278 3.370 20 0 CGADHM Cc1ccc(F)cc1NC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000028273784 368884616 /nfs/dbraw/zinc/88/46/16/368884616.db2.gz SOVGFMLOQKNKOD-UHFFFAOYSA-N -1 3 285.278 3.370 20 0 CGADHM Cc1cccc(C(=O)NCCCc2ccccc2)c1[O-] ZINC000037485696 369085107 /nfs/dbraw/zinc/08/51/07/369085107.db2.gz DMGZOKPPMCWEGK-UHFFFAOYSA-N -1 3 269.344 3.063 20 0 CGADHM O=C(/C=C/c1ccnc(Cl)c1)[N-]OC1CCCCC1 ZINC000492754375 244019658 /nfs/dbraw/zinc/01/96/58/244019658.db2.gz VHJUTVUGYRGLEP-VOTSOKGWSA-N -1 3 280.755 3.129 20 0 CGADHM O=C(/C=C\c1cc2ccccc2o1)[N-]OC1CCC1 ZINC000493364553 244149694 /nfs/dbraw/zinc/14/96/94/244149694.db2.gz GQSCDRNNQQFPQJ-HJWRWDBZSA-N -1 3 257.289 3.046 20 0 CGADHM Cc1cccc([O-])c1NC(=O)/C=C/C1(C)CCOCC1 ZINC000493589206 244193772 /nfs/dbraw/zinc/19/37/72/244193772.db2.gz SZLBCSKOYGKCSL-VOTSOKGWSA-N -1 3 275.348 3.012 20 0 CGADHM Cc1ccc([O-])c(CNCc2ccc(Cl)cc2F)n1 ZINC000494416595 244288898 /nfs/dbraw/zinc/28/88/98/244288898.db2.gz KNJISHOXYMDAPD-UHFFFAOYSA-N -1 3 280.730 3.178 20 0 CGADHM COc1cccc(C(=O)N2CCC3(CCCC3)CC2)c1[O-] ZINC000062959696 369633340 /nfs/dbraw/zinc/63/33/40/369633340.db2.gz GAOCIGJYZROSLD-UHFFFAOYSA-N -1 3 289.375 3.197 20 0 CGADHM Cc1ccc(NC(=O)Cc2ccc(F)cc2F)c([O-])c1 ZINC000088239507 370032459 /nfs/dbraw/zinc/03/24/59/370032459.db2.gz PKKSASZCYMPZKD-UHFFFAOYSA-N -1 3 277.270 3.160 20 0 CGADHM Cc1cccc([C@@H]2CCCN2Cc2nc(C)ccc2[O-])n1 ZINC000093445018 370132331 /nfs/dbraw/zinc/13/23/31/370132331.db2.gz QFNAJECTJJUGLF-INIZCTEOSA-N -1 3 283.375 3.136 20 0 CGADHM CC(C)(CNCc1cccc(Cl)c1Cl)C(=O)[O-] ZINC000276975587 193520292 /nfs/dbraw/zinc/52/02/92/193520292.db2.gz HOLYNBWWCWIHTO-UHFFFAOYSA-N -1 3 276.163 3.194 20 0 CGADHM COc1ccc([O-])c(-c2nc(C3CCCC3)no2)c1 ZINC000104419792 370345673 /nfs/dbraw/zinc/34/56/73/370345673.db2.gz VFQZRVQUFONZPG-UHFFFAOYSA-N -1 3 260.293 3.108 20 0 CGADHM Cc1cnccc1[N-]S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000112496581 370428442 /nfs/dbraw/zinc/42/84/42/370428442.db2.gz VEYJMBJOEHEPBG-UHFFFAOYSA-N -1 3 290.388 3.314 20 0 CGADHM CC(C)(C)[C@H]1CCN(Cc2cccc([O-])c2Cl)C[C@H]1O ZINC000511971041 245012932 /nfs/dbraw/zinc/01/29/32/245012932.db2.gz FRUQLCQZJWORPN-GXTWGEPZSA-N -1 3 297.826 3.275 20 0 CGADHM O=C([N-]c1nnc(C(F)F)s1)c1coc2ccccc12 ZINC000113037249 370462368 /nfs/dbraw/zinc/46/23/68/370462368.db2.gz RYMNMTKSMBHOTJ-UHFFFAOYSA-N -1 3 295.270 3.474 20 0 CGADHM C[C@@](O)(CNCc1c(F)ccc([O-])c1F)C1CCCCC1 ZINC000513183986 245069260 /nfs/dbraw/zinc/06/92/60/245069260.db2.gz OLIIJKFKQSTZGE-MRXNPFEDSA-N -1 3 299.361 3.091 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)c2ccccn2)c1[O-] ZINC000116980149 370577055 /nfs/dbraw/zinc/57/70/55/370577055.db2.gz DZDPPXVNZNDKQV-UHFFFAOYSA-N -1 3 262.696 3.001 20 0 CGADHM O=C(Nc1ccccc1[O-])[C@H]1CSc2ccccc21 ZINC000118492935 370617880 /nfs/dbraw/zinc/61/78/80/370617880.db2.gz LZRLYFXMVHQQDL-NSHDSACASA-N -1 3 271.341 3.220 20 0 CGADHM O=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)c1ccccc1[O-] ZINC000132938026 371213471 /nfs/dbraw/zinc/21/34/71/371213471.db2.gz SVHSSQWSDDSBIX-RHSMWYFYSA-N -1 3 297.354 3.042 20 0 CGADHM Cc1cc(C)cc(N(C)Cc2nc(C)ccc2[O-])c1 ZINC000133233689 371237660 /nfs/dbraw/zinc/23/76/60/371237660.db2.gz LBKHTZIUFMWTLW-UHFFFAOYSA-N -1 3 256.349 3.349 20 0 CGADHM CC[C@@]1(C)CCN(C(=O)c2c[n-]c3c(C)cccc3c2=O)C1 ZINC000331975254 204351419 /nfs/dbraw/zinc/35/14/19/204351419.db2.gz LNSHAGGCRQPMDO-SFHVURJKSA-N -1 3 298.386 3.099 20 0 CGADHM COc1ccc(CCC(=O)[N-]OC2CCCC2)cc1Cl ZINC000135146868 371394538 /nfs/dbraw/zinc/39/45/38/371394538.db2.gz PIAPKJDNFUZLOW-UHFFFAOYSA-N -1 3 297.782 3.272 20 0 CGADHM COc1cccc(C(=O)N[C@H]2CCCC(C)(C)C2)c1[O-] ZINC000149993082 371531263 /nfs/dbraw/zinc/53/12/63/371531263.db2.gz XQMBBKJCIIZFSS-NSHDSACASA-N -1 3 277.364 3.099 20 0 CGADHM O=C(c1ccccc1[O-])N1CC[C@@H](C2CCCC2)C1 ZINC000421655029 371594498 /nfs/dbraw/zinc/59/44/98/371594498.db2.gz MJHOXRWOMLYXGV-CYBMUJFWSA-N -1 3 259.349 3.045 20 0 CGADHM CC[C@H](C)CNC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000421926646 371710757 /nfs/dbraw/zinc/71/07/57/371710757.db2.gz ZFINJGNCWMBJPQ-QMMMGPOBSA-N -1 3 275.270 3.187 20 0 CGADHM COCCCO[N-]C(=O)[C@H]1C[C@@H]1c1cccc2ccccc21 ZINC000287902852 371716849 /nfs/dbraw/zinc/71/68/49/371716849.db2.gz SIAGBEXCCVFWQZ-SJORKVTESA-N -1 3 299.370 3.028 20 0 CGADHM C[C@H](N=c1ncnc2[nH][n-]cc1-2)c1cc2ccccc2s1 ZINC000337328623 214011317 /nfs/dbraw/zinc/01/13/17/214011317.db2.gz ROUVUZWYXSCEFH-VIFPVBQESA-N -1 3 295.371 3.114 20 0 CGADHM CSc1ccsc1C(=O)[N-]c1ncn(C(C)(C)C)n1 ZINC000344056556 217031222 /nfs/dbraw/zinc/03/12/22/217031222.db2.gz GORVLYAGZVGLOV-UHFFFAOYSA-N -1 3 296.421 3.069 20 0 CGADHM CCc1ccc(N[C@H](C)C(=O)[N-]c2cc(C)no2)cc1F ZINC000155345218 371922965 /nfs/dbraw/zinc/92/29/65/371922965.db2.gz CPVBIQWUYUQLKS-SNVBAGLBSA-N -1 3 291.326 3.124 20 0 CGADHM [O-]C(=NOC/C=C/Cl)Nc1nc(C2CCC2)cs1 ZINC000290828826 372060553 /nfs/dbraw/zinc/06/05/53/372060553.db2.gz XNXKFGLFNUSBKW-GORDUTHDSA-N -1 3 287.772 3.216 20 0 CGADHM O=C([N-]OC/C=C/Cl)Nc1nc(C2CCC2)cs1 ZINC000290828826 372060556 /nfs/dbraw/zinc/06/05/56/372060556.db2.gz XNXKFGLFNUSBKW-GORDUTHDSA-N -1 3 287.772 3.216 20 0 CGADHM O=C(NCc1ccc([O-])c(F)c1)c1ccc(Cl)c(F)c1 ZINC000158656389 372078098 /nfs/dbraw/zinc/07/80/98/372078098.db2.gz MAPVJVBPHNHANF-UHFFFAOYSA-N -1 3 297.688 3.254 20 0 CGADHM [O-]c1cccc(CNCC2CC(F)(F)C2)c1Cl ZINC000292971869 372265166 /nfs/dbraw/zinc/26/51/66/372265166.db2.gz MJEDTNVBPAVZIJ-UHFFFAOYSA-N -1 3 261.699 3.181 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)Nc1ccc2scnc2c1 ZINC000292986287 372268741 /nfs/dbraw/zinc/26/87/41/372268741.db2.gz RPNZKPNWPOSAGZ-VIFPVBQESA-N -1 3 279.365 3.396 20 0 CGADHM CCCN(C)C(=O)c1c[n-]c2c(C)cc(C)cc2c1=O ZINC000162772809 372419667 /nfs/dbraw/zinc/41/96/67/372419667.db2.gz BEOCRSBJNQCYAU-UHFFFAOYSA-N -1 3 272.348 3.039 20 0 CGADHM [O-]c1ccc(-c2noc([C@@H]3CCCO3)n2)c2ccccc12 ZINC000293463235 372388800 /nfs/dbraw/zinc/38/88/00/372388800.db2.gz QZWJAUSPHIMBEV-AWEZNQCLSA-N -1 3 282.299 3.447 20 0 CGADHM CCC(CC)(CCO)CNCc1cccc([O-])c1Cl ZINC000293472184 372389742 /nfs/dbraw/zinc/38/97/42/372389742.db2.gz FAZCFSHIKICROB-UHFFFAOYSA-N -1 3 285.815 3.324 20 0 CGADHM [O-]c1ccc(F)c(CNCCC[C@H]2CCCCO2)c1F ZINC000293531803 372405065 /nfs/dbraw/zinc/40/50/65/372405065.db2.gz DYNJDJOUZBJISA-LLVKDONJSA-N -1 3 285.334 3.109 20 0 CGADHM CN(C)c1cccc(CNCc2c(F)ccc([O-])c2F)c1 ZINC000293565781 372413178 /nfs/dbraw/zinc/41/31/78/372413178.db2.gz IMDKOFYBODMLSW-UHFFFAOYSA-N -1 3 292.329 3.026 20 0 CGADHM [O-]c1cccc(CN[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c1Cl ZINC000293353903 372362633 /nfs/dbraw/zinc/36/26/33/372362633.db2.gz UBEFYXQZCCDWMC-DFBGVHRSSA-N -1 3 293.794 3.093 20 0 CGADHM Cc1ccc(C(=O)N2CC[C@@]3(C)[C@@H](C2)C3(F)F)c([O-])c1C ZINC000293773272 372477330 /nfs/dbraw/zinc/47/73/30/372477330.db2.gz YORYLCGAYFJPFB-DOMZBBRYSA-N -1 3 295.329 3.126 20 0 CGADHM Cc1cc(C(=O)NCc2ccc([O-])c(F)c2)cc(C)c1F ZINC000162832726 372426248 /nfs/dbraw/zinc/42/62/48/372426248.db2.gz QKNMIURSUZBDLL-UHFFFAOYSA-N -1 3 291.297 3.217 20 0 CGADHM C[C@@H](CC(=O)[N-]OCCC(F)(F)F)c1ccccc1 ZINC000162827966 372426822 /nfs/dbraw/zinc/42/68/22/372426822.db2.gz QUYFIQHBLPXQNV-JTQLQIEISA-N -1 3 275.270 3.180 20 0 CGADHM CCN(C(=O)NCc1ccc([O-])c(F)c1)C1CCCC1 ZINC000163688392 372487654 /nfs/dbraw/zinc/48/76/54/372487654.db2.gz GEIRJMKYUNJVQO-UHFFFAOYSA-N -1 3 280.343 3.005 20 0 CGADHM Cc1cccc(F)c1S(=O)(=O)[N-]C(C)(C)C(C)(C)C ZINC000431608813 372489516 /nfs/dbraw/zinc/48/95/16/372489516.db2.gz LSBKSPJAZOHIHO-UHFFFAOYSA-N -1 3 287.400 3.237 20 0 CGADHM Cc1ccoc1CN(C)C(=O)c1ccc(C)c(C)c1[O-] ZINC000293835769 372495688 /nfs/dbraw/zinc/49/56/88/372495688.db2.gz BOCQRRPYEKVJQI-UHFFFAOYSA-N -1 3 273.332 3.183 20 0 CGADHM O=C([N-]OCC1CC1)c1c(Cl)cccc1Cl ZINC000293875638 372509759 /nfs/dbraw/zinc/50/97/59/372509759.db2.gz XCECDCIAQGUDQN-UHFFFAOYSA-N -1 3 260.120 3.065 20 0 CGADHM CC[C@H](C)N(C)C(=O)c1c[n-]c2c(C)cc(C)cc2c1=O ZINC000164596997 372526772 /nfs/dbraw/zinc/52/67/72/372526772.db2.gz GEROHULNNHVWEL-LBPRGKRZSA-N -1 3 286.375 3.428 20 0 CGADHM CN(Cc1cccc([O-])c1Cl)C1CCC(CO)CC1 ZINC000293998988 372550907 /nfs/dbraw/zinc/55/09/07/372550907.db2.gz SQMZIVDQSWZYKG-UHFFFAOYSA-N -1 3 283.799 3.029 20 0 CGADHM CCOc1ccc(CNCc2c(F)ccc([O-])c2F)cc1 ZINC000294177825 372604445 /nfs/dbraw/zinc/60/44/45/372604445.db2.gz JPFQCFPXWPKQMG-UHFFFAOYSA-N -1 3 293.313 3.359 20 0 CGADHM CC(C)(CCNC(=O)c1c[n-]c2ccccc2c1=O)C1CC1 ZINC000294180366 372605965 /nfs/dbraw/zinc/60/59/65/372605965.db2.gz OGDXGFYFVJNQAA-UHFFFAOYSA-N -1 3 298.386 3.497 20 0 CGADHM C[C@H]1CCC[C@@H](N(C)C(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000172626688 372997038 /nfs/dbraw/zinc/99/70/38/372997038.db2.gz XBUNDPAWINAGMC-WCQYABFASA-N -1 3 294.370 3.251 20 0 CGADHM CCCOc1ccc(NC([O-])=NOC(C)C)c(C)c1 ZINC000296263932 373071934 /nfs/dbraw/zinc/07/19/34/373071934.db2.gz CUXJAHIFXONDBO-UHFFFAOYSA-N -1 3 266.341 3.245 20 0 CGADHM CCCOc1ccc(NC(=O)[N-]OC(C)C)c(C)c1 ZINC000296263932 373071941 /nfs/dbraw/zinc/07/19/41/373071941.db2.gz CUXJAHIFXONDBO-UHFFFAOYSA-N -1 3 266.341 3.245 20 0 CGADHM Cc1ccc2cccc(NC([O-])=NOC(C)C)c2n1 ZINC000296533107 373167702 /nfs/dbraw/zinc/16/77/02/373167702.db2.gz PTKZVLKPGCCSLT-UHFFFAOYSA-N -1 3 259.309 3.005 20 0 CGADHM Cc1ccc2cccc(NC(=O)[N-]OC(C)C)c2n1 ZINC000296533107 373167708 /nfs/dbraw/zinc/16/77/08/373167708.db2.gz PTKZVLKPGCCSLT-UHFFFAOYSA-N -1 3 259.309 3.005 20 0 CGADHM CC(C)Sc1ccccc1NC([O-])=NOC(C)(C)CO ZINC000296770116 373240199 /nfs/dbraw/zinc/24/01/99/373240199.db2.gz ZFZHNIQJOQZIBB-UHFFFAOYSA-N -1 3 298.408 3.011 20 0 CGADHM CC(C)Sc1ccccc1NC(=O)[N-]OC(C)(C)CO ZINC000296770116 373240209 /nfs/dbraw/zinc/24/02/09/373240209.db2.gz ZFZHNIQJOQZIBB-UHFFFAOYSA-N -1 3 298.408 3.011 20 0 CGADHM O=C(CC1CCCCCC1)Nc1nnc(-c2ccccn2)[n-]1 ZINC000175761511 373516110 /nfs/dbraw/zinc/51/61/10/373516110.db2.gz BQMVIACQJRCUQP-UHFFFAOYSA-N -1 3 299.378 3.166 20 0 CGADHM O=C(CC1CCCCCC1)Nc1nc(-c2ccccn2)n[n-]1 ZINC000175761511 373516113 /nfs/dbraw/zinc/51/61/13/373516113.db2.gz BQMVIACQJRCUQP-UHFFFAOYSA-N -1 3 299.378 3.166 20 0 CGADHM O=C(CC1CCCCCC1)Nc1n[n-]c(-c2ccccn2)n1 ZINC000175761511 373516119 /nfs/dbraw/zinc/51/61/19/373516119.db2.gz BQMVIACQJRCUQP-UHFFFAOYSA-N -1 3 299.378 3.166 20 0 CGADHM Cc1cc(C(=O)N2C[C@H](C)C[C@@H](C)[C@H]2C)ccc1[O-] ZINC000300421765 373634407 /nfs/dbraw/zinc/63/44/07/373634407.db2.gz HSXUEFCRHWDRLO-NQBHXWOUSA-N -1 3 261.365 3.207 20 0 CGADHM C[C@@H]1CCC[C@@H](NC(=O)Cc2ccc([O-])c(F)c2)[C@H]1C ZINC000448568115 373602584 /nfs/dbraw/zinc/60/25/84/373602584.db2.gz DMGJNGMBKPFMKX-UHIISALHSA-N -1 3 279.355 3.015 20 0 CGADHM [O-]c1cccc(CN2CCC[C@@H]2[C@H]2CCC[C@@H]2O)c1Cl ZINC000449470677 373754922 /nfs/dbraw/zinc/75/49/22/373754922.db2.gz NWQXOYPWPZJDCQ-MCIONIFRSA-N -1 3 295.810 3.171 20 0 CGADHM Cc1cccc([O-])c1NC(=O)Cc1ccccc1F ZINC000179552275 373886332 /nfs/dbraw/zinc/88/63/32/373886332.db2.gz PHQUNOZVXQKZRZ-UHFFFAOYSA-N -1 3 259.280 3.021 20 0 CGADHM Cc1cccc([O-])c1NC(=O)CCn1cnc2ccccc21 ZINC000179557242 373888169 /nfs/dbraw/zinc/88/81/69/373888169.db2.gz PJEWXNDUMSTGMH-UHFFFAOYSA-N -1 3 295.342 3.079 20 0 CGADHM Cc1cccc([O-])c1NC(=O)CCOCc1ccccc1 ZINC000179565677 373888978 /nfs/dbraw/zinc/88/89/78/373888978.db2.gz ALDNCIYRSKWYGE-UHFFFAOYSA-N -1 3 285.343 3.246 20 0 CGADHM Cc1ccc(C(=O)Nc2ccc(C)c(O)c2C)c([O-])c1 ZINC000179824289 373923762 /nfs/dbraw/zinc/92/37/62/373923762.db2.gz ZUAQBJJWNWBIQI-UHFFFAOYSA-N -1 3 271.316 3.275 20 0 CGADHM C[C@H]1SCCN(CCCCC(=O)[O-])[C@@H]1c1ccccc1 ZINC000181566456 374142073 /nfs/dbraw/zinc/14/20/73/374142073.db2.gz QCQNMASVYOGGHA-CJNGLKHVSA-N -1 3 293.432 3.420 20 0 CGADHM O=C(Nc1ccc(-c2cnco2)cc1)c1cccc([O-])c1 ZINC000182130947 374222801 /nfs/dbraw/zinc/22/28/01/374222801.db2.gz CQDMXGYTGHWUCC-UHFFFAOYSA-N -1 3 280.283 3.300 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)N2CC[C@H](CC(C)(C)C)C2)n1 ZINC000452078423 374227899 /nfs/dbraw/zinc/22/78/99/374227899.db2.gz LWMBZQFUSWJWLT-CHWSQXEVSA-N -1 3 277.412 3.310 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N2CC[C@H](CC(C)(C)C)C2)n1 ZINC000452078435 374228702 /nfs/dbraw/zinc/22/87/02/374228702.db2.gz LWMBZQFUSWJWLT-QWHCGFSZSA-N -1 3 277.412 3.310 20 0 CGADHM CC[C@@H]1CC[C@H](C)N(C(=O)c2ccc([O-])c(C)c2)C1 ZINC000311341422 374239673 /nfs/dbraw/zinc/23/96/73/374239673.db2.gz IMDSZPSFOHDNHH-QWHCGFSZSA-N -1 3 261.365 3.351 20 0 CGADHM CCCNC(=S)Nc1ccc(C)c([O-])c1Cl ZINC001244889576 803564104 /nfs/dbraw/zinc/56/41/04/803564104.db2.gz FFNAOEIBEJKUAV-UHFFFAOYSA-N -1 3 258.774 3.050 20 0 CGADHM Cc1ccc(-c2ccc(C(=O)[N-]c3nc(C)no3)s2)o1 ZINC000182880303 374338804 /nfs/dbraw/zinc/33/88/04/374338804.db2.gz QGYKWUKBLCOVKQ-UHFFFAOYSA-N -1 3 289.316 3.260 20 0 CGADHM C[C@@H](NCc1cccc([O-])c1Cl)c1cccnc1 ZINC000328393784 374366459 /nfs/dbraw/zinc/36/64/59/374366459.db2.gz VAECSVDBTRGHDR-SNVBAGLBSA-N -1 3 262.740 3.291 20 0 CGADHM O=C([O-])CN(Cc1cccc(Cl)c1Cl)CC1CC1 ZINC000086734407 541938516 /nfs/dbraw/zinc/93/85/16/541938516.db2.gz ZWAWWKBORNEIKT-UHFFFAOYSA-N -1 3 288.174 3.290 20 0 CGADHM COc1ccc(CN2CCCC[C@@H]2CC(=O)[O-])cc1Cl ZINC000086775640 541940365 /nfs/dbraw/zinc/94/03/65/541940365.db2.gz UQAMBHAYZFVBHK-GFCCVEGCSA-N -1 3 297.782 3.178 20 0 CGADHM CC[C@@H]1CC[C@@H](C(=O)Nc2cc(Cl)cc(C)c2[O-])O1 ZINC000330497120 374473466 /nfs/dbraw/zinc/47/34/66/374473466.db2.gz XVUPBORBQLSKKP-PWSUYJOCSA-N -1 3 283.755 3.250 20 0 CGADHM NC(=O)CC[C@@H]1CCCN(Cc2c(F)ccc([O-])c2F)C1 ZINC000331229989 374515775 /nfs/dbraw/zinc/51/57/75/374515775.db2.gz CQGBRSMNORGPEZ-JTQLQIEISA-N -1 3 298.333 3.198 20 0 CGADHM COCCN(C(=O)c1ccc(C)c(C)c1[O-])c1ccccc1 ZINC000456387034 374531167 /nfs/dbraw/zinc/53/11/67/374531167.db2.gz KDUKJEDMYOOGCP-UHFFFAOYSA-N -1 3 299.370 3.302 20 0 CGADHM Cc1cc(C(=O)N2CCC[C@@H]2c2cccnc2)ccc1[O-] ZINC000334201066 206183555 /nfs/dbraw/zinc/18/35/55/206183555.db2.gz NWVTUFLJQKKFMI-OAHLLOKOSA-N -1 3 282.343 3.073 20 0 CGADHM CC(C)[C@@]1(C)C[C@H]1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000458133599 374701359 /nfs/dbraw/zinc/70/13/59/374701359.db2.gz PKKUGALLUWELQJ-NVXWUHKLSA-N -1 3 293.382 3.405 20 0 CGADHM CCC[C@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)C1CCC1 ZINC000458305559 374756714 /nfs/dbraw/zinc/75/67/14/374756714.db2.gz LJXLBDJEYYQGFX-AWEZNQCLSA-N -1 3 298.386 3.227 20 0 CGADHM Cc1ccc(C(=O)NC2CCC(C(F)F)CC2)c([O-])c1 ZINC000458178638 374712866 /nfs/dbraw/zinc/71/28/66/374712866.db2.gz KEMDOHBPXSMJRJ-UHFFFAOYSA-N -1 3 283.318 3.254 20 0 CGADHM CC(C)(C)[C@@H]1CCN(Cc2nc(=O)c3sccc3[n-]2)C1 ZINC000334593149 374891377 /nfs/dbraw/zinc/89/13/77/374891377.db2.gz DCWCEVHSMQADBK-SNVBAGLBSA-N -1 3 291.420 3.265 20 0 CGADHM Cc1ncccc1N(C)C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000334546054 374842616 /nfs/dbraw/zinc/84/26/16/374842616.db2.gz LYFSCSQZLWPNIC-UHFFFAOYSA-N -1 3 296.370 3.251 20 0 CGADHM C[C@H]1CCC[C@@]1(C)C(=O)Nc1ccc([O-])cc1F ZINC000334679196 374968796 /nfs/dbraw/zinc/96/87/96/374968796.db2.gz LKAIXXVOOPIMQJ-LKFCYVNXSA-N -1 3 251.301 3.296 20 0 CGADHM CC[C@H](C)NC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000186903879 374936963 /nfs/dbraw/zinc/93/69/63/374936963.db2.gz QMRCVYAKZQNPDX-LBPRGKRZSA-N -1 3 297.354 3.152 20 0 CGADHM CCCCC[C@@H]1CCCN1C(=O)c1csc(=O)[n-]1 ZINC000472333872 375019666 /nfs/dbraw/zinc/01/96/66/375019666.db2.gz GADBMNZGFCZNRO-SNVBAGLBSA-N -1 3 268.382 3.034 20 0 CGADHM CC1(C2(NC(=O)c3cc([O-])ccc3Cl)CC2)CC1 ZINC000334751197 375027168 /nfs/dbraw/zinc/02/71/68/375027168.db2.gz DSFJROXXTCUSDT-UHFFFAOYSA-N -1 3 265.740 3.108 20 0 CGADHM C[C@@H]1CCN(C(=O)Cc2cccc(N)c2)c2c([O-])cccc21 ZINC000335009944 375070283 /nfs/dbraw/zinc/07/02/83/375070283.db2.gz CKVQWJXLBLFAHT-GFCCVEGCSA-N -1 3 296.370 3.057 20 0 CGADHM O=C([N-]c1ccc(F)cc1F)c1sccc1F ZINC000335067708 375102985 /nfs/dbraw/zinc/10/29/85/375102985.db2.gz DVLHFMXZHQEATM-UHFFFAOYSA-N -1 3 257.236 3.418 20 0 CGADHM O=C(Nc1cccc(C(F)F)c1)c1cccc2nn[n-]c21 ZINC000187668565 375067504 /nfs/dbraw/zinc/06/75/04/375067504.db2.gz YPTBVOVQUKKUBL-UHFFFAOYSA-N -1 3 288.257 3.148 20 0 CGADHM O=C(Nc1cccc(C(F)F)c1)c1cccc2[n-]nnc21 ZINC000187668565 375067512 /nfs/dbraw/zinc/06/75/12/375067512.db2.gz YPTBVOVQUKKUBL-UHFFFAOYSA-N -1 3 288.257 3.148 20 0 CGADHM O=C(Nc1cccc(C(F)F)c1)c1cccc2n[n-]nc21 ZINC000187668565 375067518 /nfs/dbraw/zinc/06/75/18/375067518.db2.gz YPTBVOVQUKKUBL-UHFFFAOYSA-N -1 3 288.257 3.148 20 0 CGADHM Cc1cccc2c(=O)c(C(=O)N(C)C3CCCC3)c[n-]c12 ZINC000188236964 375181921 /nfs/dbraw/zinc/18/19/21/375181921.db2.gz DRLNZTUZKCAPLY-UHFFFAOYSA-N -1 3 284.359 3.263 20 0 CGADHM Cc1cc(S(=O)(=O)[N-][C@@H]2C=CCCC2)sc1Cl ZINC000188098750 375157343 /nfs/dbraw/zinc/15/73/43/375157343.db2.gz DAHRTPVOOCUIFM-SECBINFHSA-N -1 3 291.825 3.097 20 0 CGADHM [O-]c1ccccc1-c1nc(COc2cccc(F)c2)no1 ZINC000188117837 375160562 /nfs/dbraw/zinc/16/05/62/375160562.db2.gz ZBJCCCZVCDEGDE-UHFFFAOYSA-N -1 3 286.262 3.160 20 0 CGADHM Cc1nsc(C)c1C(=O)Nc1ccc(C)cc1[O-] ZINC000335231134 375248409 /nfs/dbraw/zinc/24/84/09/375248409.db2.gz HMBJPOBMBLMORI-UHFFFAOYSA-N -1 3 262.334 3.026 20 0 CGADHM C[C@H]1CC(C)(C)CC[C@H]1[N-]S(=O)(=O)c1cccs1 ZINC000484774324 375189009 /nfs/dbraw/zinc/18/90/09/375189009.db2.gz DGGHATGFJSKSEY-WDEREUQCSA-N -1 3 287.450 3.241 20 0 CGADHM CCc1cc(C(=O)N2CCc3cccc(C)c3C2)ccc1[O-] ZINC000487642594 375264967 /nfs/dbraw/zinc/26/49/67/375264967.db2.gz SALILKQWIUCQFH-UHFFFAOYSA-N -1 3 295.382 3.462 20 0 CGADHM C[C@@H]1CCN(C(=O)c2csc(=O)[n-]2)CC12CCCCC2 ZINC000335689438 375348024 /nfs/dbraw/zinc/34/80/24/375348024.db2.gz WGEHYOVDXGHULS-LLVKDONJSA-N -1 3 294.420 3.281 20 0 CGADHM Cc1ccc(C(=O)Nc2cc(CO)ccc2C)c([O-])c1C ZINC000335694234 375352889 /nfs/dbraw/zinc/35/28/89/375352889.db2.gz YXNKQYUMEXNYOA-UHFFFAOYSA-N -1 3 285.343 3.062 20 0 CGADHM CCCCOc1ccc(C(=O)N2CCCCC2)c([O-])c1 ZINC000189989141 375466125 /nfs/dbraw/zinc/46/61/25/375466125.db2.gz NFEXLLDLAQWWBO-UHFFFAOYSA-N -1 3 277.364 3.197 20 0 CGADHM Cc1ncsc1[N-]C(=O)c1c(F)c(F)cc(F)c1F ZINC000335861484 375490773 /nfs/dbraw/zinc/49/07/73/375490773.db2.gz MXUXOMSATPVVHY-UHFFFAOYSA-N -1 3 290.241 3.260 20 0 CGADHM O=C([N-]c1nnc(C(F)F)s1)c1cc(F)cc(F)c1 ZINC000335894184 375520230 /nfs/dbraw/zinc/52/02/30/375520230.db2.gz CVQDMQFOWURQQP-UHFFFAOYSA-N -1 3 291.229 3.006 20 0 CGADHM Cc1ccc(Cl)c(NC(=O)NCc2ncccc2[O-])c1 ZINC000336050412 375646999 /nfs/dbraw/zinc/64/69/99/375646999.db2.gz JRRIDASZFKNNNT-UHFFFAOYSA-N -1 3 291.738 3.071 20 0 CGADHM NC(=O)[C@H]1CCC[C@H](C(=O)Nc2cc(Cl)ccc2[O-])C1 ZINC000336044120 375643252 /nfs/dbraw/zinc/64/32/52/375643252.db2.gz KQUYLFSVYXKIIS-IUCAKERBSA-N -1 3 296.754 3.326 20 0 CGADHM COc1ccc2c(c1)[C@H](C(=O)Nc1ccccc1[O-])CC2 ZINC000336135006 375713511 /nfs/dbraw/zinc/71/35/11/375713511.db2.gz WYTFLIXRULDENH-CYBMUJFWSA-N -1 3 283.327 3.069 20 0 CGADHM COc1ccc([O-])c(C(=O)N[C@H]2CCc3cc(C)ccc32)c1 ZINC000508221029 375740858 /nfs/dbraw/zinc/74/08/58/375740858.db2.gz HLXNDGAKKRCTCI-INIZCTEOSA-N -1 3 297.354 3.127 20 0 CGADHM CC(C)[C@@H]1CCN(C(=O)Cc2ccc([O-])cc2Cl)C1 ZINC000509033642 375769956 /nfs/dbraw/zinc/76/99/56/375769956.db2.gz SFJUYZVXTZYZGJ-GFCCVEGCSA-N -1 3 281.783 3.093 20 0 CGADHM Cc1ccc([O-])c(C(=O)N[C@@H]2CCc3c2cccc3F)c1 ZINC000509114639 375771255 /nfs/dbraw/zinc/77/12/55/375771255.db2.gz XILWDTCTKVMYBL-OAHLLOKOSA-N -1 3 285.318 3.257 20 0 CGADHM O=C(c1cccc([O-])c1)N1CCC[C@@H]1Cc1ccccc1 ZINC000192644889 375775156 /nfs/dbraw/zinc/77/51/56/375775156.db2.gz LEGKBKMGSCSDMA-MRXNPFEDSA-N -1 3 281.355 3.240 20 0 CGADHM CCc1cc(C(=O)N[C@H]2CCCC(F)(F)C2)ccc1[O-] ZINC000336531255 375810270 /nfs/dbraw/zinc/81/02/70/375810270.db2.gz CSNRXKUQVWZBAJ-LBPRGKRZSA-N -1 3 283.318 3.262 20 0 CGADHM CCc1oc(C(=O)[O-])cc1CN1CC[C@H](C)[C@H](C)C1 ZINC000515660124 375814831 /nfs/dbraw/zinc/81/48/31/375814831.db2.gz MYBYJUKVQJAZRS-WDEREUQCSA-N -1 3 265.353 3.018 20 0 CGADHM CCc1cccnc1NC(=O)c1cc([O-])ccc1Cl ZINC000336560065 375831818 /nfs/dbraw/zinc/83/18/18/375831818.db2.gz NGPCLGPJHUYRHN-UHFFFAOYSA-N -1 3 276.723 3.255 20 0 CGADHM Cc1noc(C)c1C(=O)[N-]c1cc(Cl)cc(F)c1F ZINC000336561491 375833394 /nfs/dbraw/zinc/83/33/94/375833394.db2.gz IEKIFPKHTSFQNO-UHFFFAOYSA-N -1 3 286.665 3.475 20 0 CGADHM CCCc1cc(=O)[n-]c(C(=Cc2cccc(O)c2)CC)n1 ZINC000193615790 375897747 /nfs/dbraw/zinc/89/77/47/375897747.db2.gz KFRRUWYZRYVUTH-LCYFTJDESA-N -1 3 284.359 3.379 20 0 CGADHM CCOc1ccc(NC(=O)c2cccc([O-])c2)cc1OC ZINC000193969263 375946285 /nfs/dbraw/zinc/94/62/85/375946285.db2.gz DNBFITOZPBGMEK-UHFFFAOYSA-N -1 3 287.315 3.052 20 0 CGADHM CCOc1cccc(CNC(=O)c2cccc(C)c2[O-])c1 ZINC000195625860 376115262 /nfs/dbraw/zinc/11/52/62/376115262.db2.gz FKWJGGOFTWEEOV-UHFFFAOYSA-N -1 3 285.343 3.029 20 0 CGADHM CCC[C@H]1CCCCN1Cc1ccc(C(=O)[O-])o1 ZINC000213386536 376140633 /nfs/dbraw/zinc/14/06/33/376140633.db2.gz QNDFJHNRMCRLPE-NSHDSACASA-N -1 3 251.326 3.132 20 0 CGADHM COc1cc(NCc2cc([O-])cc(F)c2)c(C)c(OC)c1 ZINC000337265942 376176324 /nfs/dbraw/zinc/17/63/24/376176324.db2.gz USDIAENUEDVOOL-UHFFFAOYSA-N -1 3 291.322 3.469 20 0 CGADHM COc1ccc([O-])c(C(=O)N2CCC[C@@H]2C(C)(C)C)c1 ZINC000536720922 376126550 /nfs/dbraw/zinc/12/65/50/376126550.db2.gz XPUZVIDQIHSAFX-CQSZACIVSA-N -1 3 277.364 3.052 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2C[C@@H](C)CC2(C)C)c1 ZINC000538776987 376269227 /nfs/dbraw/zinc/26/92/27/376269227.db2.gz PPEJKFVPHATKRM-NSHDSACASA-N -1 3 261.365 3.215 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CC[C@H]2c2ccccc2)c1 ZINC000538756548 376269808 /nfs/dbraw/zinc/26/98/08/376269808.db2.gz KXKIECBYFZTPPC-HNNXBMFYSA-N -1 3 267.328 3.288 20 0 CGADHM CCc1cccc(C(=O)N2C[C@@H](C)C[C@H]2CC)c1[O-] ZINC000538782816 376271586 /nfs/dbraw/zinc/27/15/86/376271586.db2.gz HGDHZZWDZDZVRH-WCQYABFASA-N -1 3 261.365 3.215 20 0 CGADHM CCCn1c(=O)[n-]nc1SCCCc1cccc(C)c1 ZINC000539757266 376329331 /nfs/dbraw/zinc/32/93/31/376329331.db2.gz SSGPMSYHDXTSBD-UHFFFAOYSA-N -1 3 291.420 3.427 20 0 CGADHM CCc1ccc([O-])c(C(=O)N(C)[C@@H](C)C(C)(C)C)c1 ZINC000539843370 376342243 /nfs/dbraw/zinc/34/22/43/376342243.db2.gz YVHMCCMRBRPOQR-NSHDSACASA-N -1 3 263.381 3.461 20 0 CGADHM CC[C@@](C)(OC)c1noc(-c2cccc(C)c2[O-])n1 ZINC000227832486 376413066 /nfs/dbraw/zinc/41/30/66/376413066.db2.gz UBZFGOVYILMXQG-CQSZACIVSA-N -1 3 262.309 3.022 20 0 CGADHM CCS[C@@H]1CCC[C@H]1NC(=O)c1ccc([O-])c(C)c1 ZINC000226718437 376370365 /nfs/dbraw/zinc/37/03/65/376370365.db2.gz NOQKONNRBWDQPS-TZMCWYRMSA-N -1 3 279.405 3.105 20 0 CGADHM Cc1cc(C(=O)N[C@H](C)c2cccs2)ccc1[O-] ZINC000227013316 376377537 /nfs/dbraw/zinc/37/75/37/376377537.db2.gz KYZUVAPGPFNVPJ-SNVBAGLBSA-N -1 3 261.346 3.253 20 0 CGADHM Cc1ccsc1CNC(=O)c1ccc([O-])c(C)c1 ZINC000227022900 376378839 /nfs/dbraw/zinc/37/88/39/376378839.db2.gz OESDCCURZBTVEY-UHFFFAOYSA-N -1 3 261.346 3.001 20 0 CGADHM CSCCCCCCNC(=O)c1ccc([O-])c(C)c1 ZINC000230177167 376493602 /nfs/dbraw/zinc/49/36/02/376493602.db2.gz YKRZPYZBDSSOSY-UHFFFAOYSA-N -1 3 281.421 3.354 20 0 CGADHM CCCC[C@H]1CCC[C@@H]1NC(=O)c1cccc2nn[n-]c21 ZINC000542821262 376582778 /nfs/dbraw/zinc/58/27/78/376582778.db2.gz PPDSFHOBRROTEU-AAEUAGOBSA-N -1 3 286.379 3.047 20 0 CGADHM CCCC[C@H]1CCC[C@@H]1NC(=O)c1cccc2[n-]nnc21 ZINC000542821262 376582782 /nfs/dbraw/zinc/58/27/82/376582782.db2.gz PPDSFHOBRROTEU-AAEUAGOBSA-N -1 3 286.379 3.047 20 0 CGADHM CCCC[C@H]1CCC[C@@H]1NC(=O)c1cccc2n[n-]nc21 ZINC000542821262 376582790 /nfs/dbraw/zinc/58/27/90/376582790.db2.gz PPDSFHOBRROTEU-AAEUAGOBSA-N -1 3 286.379 3.047 20 0 CGADHM CC[C@H](C)[C@H](C)NC(=O)c1cc([O-])ccc1Cl ZINC000234028946 376609876 /nfs/dbraw/zinc/60/98/76/376609876.db2.gz NDHXMDVDUXTSLM-IUCAKERBSA-N -1 3 255.745 3.210 20 0 CGADHM Cn1cc(Cl)cc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000339008427 376625719 /nfs/dbraw/zinc/62/57/19/376625719.db2.gz QZGNHLZPQMFZOE-UHFFFAOYSA-N -1 3 285.130 3.290 20 0 CGADHM CCOc1ccc(C=Cc2nc(C)cc(=O)[n-]2)cc1 ZINC000339115968 376689365 /nfs/dbraw/zinc/68/93/65/376689365.db2.gz WCDNPXSIZDDHFU-RMKNXTFCSA-N -1 3 256.305 3.060 20 0 CGADHM O=C(Nc1ccc([O-])cc1F)c1cnc2ccsc2c1 ZINC000543955441 376690928 /nfs/dbraw/zinc/69/09/28/376690928.db2.gz VGUIKCSBMSXBIG-UHFFFAOYSA-N -1 3 288.303 3.393 20 0 CGADHM COc1ccc(NC(=O)c2ccc(C)cc2F)c([O-])c1 ZINC000135417352 542087709 /nfs/dbraw/zinc/08/77/09/542087709.db2.gz BHUMDISVGSXFDY-UHFFFAOYSA-N -1 3 275.279 3.101 20 0 CGADHM CC[C@H](C(=O)Nc1ccc(C)cc1[O-])c1c(C)noc1C ZINC000340033750 376897266 /nfs/dbraw/zinc/89/72/66/376897266.db2.gz OLTCXGMGPOIEKR-LBPRGKRZSA-N -1 3 288.347 3.438 20 0 CGADHM CC(=O)c1cccc(NC(=O)c2ccc(C)c(F)c2)c1[O-] ZINC000556891630 376901601 /nfs/dbraw/zinc/90/16/01/376901601.db2.gz IHZOMRFPLSHXEY-UHFFFAOYSA-N -1 3 287.290 3.295 20 0 CGADHM O=C(CC/C=C\c1ccccc1)N=c1cc2ccccn2[n-]1 ZINC000557530561 376941412 /nfs/dbraw/zinc/94/14/12/376941412.db2.gz BEQDGGPJJYUQRF-WMZJFQQLSA-N -1 3 291.354 3.188 20 0 CGADHM O=C(CNc1cccc(F)c1)Nc1ccc(Cl)cc1[O-] ZINC000340326435 377002007 /nfs/dbraw/zinc/00/20/07/377002007.db2.gz CVHFTJHEECSJDG-UHFFFAOYSA-N -1 3 294.713 3.235 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])c1cccc2cccnc21 ZINC000340327134 377003093 /nfs/dbraw/zinc/00/30/93/377003093.db2.gz ALEOEBUCCLWQLT-UHFFFAOYSA-N -1 3 282.274 3.332 20 0 CGADHM CCS[C@@H]1CCCCN([C@H](C)c2nc(C)cc(=O)[n-]2)C1 ZINC000247781805 377239352 /nfs/dbraw/zinc/23/93/52/377239352.db2.gz XSLZTUDIDLJHST-CHWSQXEVSA-N -1 3 295.452 3.159 20 0 CGADHM CCS[C@H]1CCCCN([C@H](C)c2nc(C)cc(=O)[n-]2)C1 ZINC000247781806 377239443 /nfs/dbraw/zinc/23/94/43/377239443.db2.gz XSLZTUDIDLJHST-OLZOCXBDSA-N -1 3 295.452 3.159 20 0 CGADHM CC(C)c1ncsc1C(=O)[N-]c1nnc(C2CC2)s1 ZINC000562515109 377320682 /nfs/dbraw/zinc/32/06/82/377320682.db2.gz YFENNAAJNXDYSW-UHFFFAOYSA-N -1 3 294.405 3.248 20 0 CGADHM C[C@@H]1CCN(C(=O)[C@H]2[C@@H]3CCC[C@@H]32)c2c([O-])cccc21 ZINC000248695885 377383828 /nfs/dbraw/zinc/38/38/28/377383828.db2.gz CXWZRHJTZAREII-PBOSXPJTSA-N -1 3 271.360 3.279 20 0 CGADHM CCCCn1c(=O)[n-]nc1SCC1CCCC1 ZINC000341168171 377428773 /nfs/dbraw/zinc/42/87/73/377428773.db2.gz LQQICKAEOGRQAD-UHFFFAOYSA-N -1 3 255.387 3.066 20 0 CGADHM Cc1ccccc1[C@H]1CCN(Cc2cc(C(=O)[O-])co2)C1 ZINC000563278670 377431730 /nfs/dbraw/zinc/43/17/30/377431730.db2.gz YFVOXIJZRCRBGV-ZDUSSCGKSA-N -1 3 285.343 3.276 20 0 CGADHM CC(C)CCN(C(=O)Cc1cncc([O-])c1)C1CCCC1 ZINC000563411515 377459683 /nfs/dbraw/zinc/45/96/83/377459683.db2.gz BHMZNCZYBXBRFN-UHFFFAOYSA-N -1 3 290.407 3.147 20 0 CGADHM CSc1nnc(NC(=O)CCCCC(C)(C)C)[n-]1 ZINC000341304040 377499194 /nfs/dbraw/zinc/49/91/94/377499194.db2.gz BEFXYYCRDUEKDI-UHFFFAOYSA-N -1 3 270.402 3.072 20 0 CGADHM CSc1n[n-]c(NC(=O)CCCCC(C)(C)C)n1 ZINC000341304040 377499203 /nfs/dbraw/zinc/49/92/03/377499203.db2.gz BEFXYYCRDUEKDI-UHFFFAOYSA-N -1 3 270.402 3.072 20 0 CGADHM CSc1nc(NC(=O)CCCCC(C)(C)C)n[n-]1 ZINC000341304040 377499215 /nfs/dbraw/zinc/49/92/15/377499215.db2.gz BEFXYYCRDUEKDI-UHFFFAOYSA-N -1 3 270.402 3.072 20 0 CGADHM Cc1cccc(C(=O)N[C@@H](C)CC(=O)c2ccccc2)c1[O-] ZINC000092600005 249034538 /nfs/dbraw/zinc/03/45/38/249034538.db2.gz UUXHMLHOLYKMEG-ZDUSSCGKSA-N -1 3 297.354 3.092 20 0 CGADHM Cc1ccc(NC(=O)c2cccc([C@H]3CCOC3)c2)c([O-])c1 ZINC000270445172 249061888 /nfs/dbraw/zinc/06/18/88/249061888.db2.gz BCBUYSZIIYTPSK-HNNXBMFYSA-N -1 3 297.354 3.457 20 0 CGADHM Cc1ccccc1S(=O)(=O)[N-]c1ccnc(C)c1Cl ZINC000165257753 542172704 /nfs/dbraw/zinc/17/27/04/542172704.db2.gz SKMFNYOUFDFXIJ-UHFFFAOYSA-N -1 3 296.779 3.153 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])C1(c2cccc(F)c2)CC1 ZINC000174892520 542183836 /nfs/dbraw/zinc/18/38/36/542183836.db2.gz KTOQPDXNMYJQAA-UHFFFAOYSA-N -1 3 289.281 3.341 20 0 CGADHM CC(C)(NCc1ncccc1[O-])c1ccc(F)c(F)c1 ZINC000514665978 249184657 /nfs/dbraw/zinc/18/46/57/249184657.db2.gz KIOZBUSZYDKKLP-UHFFFAOYSA-N -1 3 278.302 3.090 20 0 CGADHM CCc1ccc([C@@H](N=c2ncnc3[nH][n-]cc2-3)C(C)C)cc1 ZINC000514922634 249194787 /nfs/dbraw/zinc/19/47/87/249194787.db2.gz ZIKVAPORPIHGMJ-HNNXBMFYSA-N -1 3 295.390 3.098 20 0 CGADHM CC[C@@H]1CCN(Cc2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC000514944359 249195852 /nfs/dbraw/zinc/19/58/52/249195852.db2.gz PXHQFFWXURKRBO-SNVBAGLBSA-N -1 3 267.756 3.270 20 0 CGADHM C[C@@H]1CCCC[C@H]1CC(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000516842359 249245506 /nfs/dbraw/zinc/24/55/06/249245506.db2.gz GRCYUAVJYKWVIC-NEPJUHHUSA-N -1 3 299.378 3.022 20 0 CGADHM C[C@@H]1CCCC[C@H]1CC(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000516842359 249245509 /nfs/dbraw/zinc/24/55/09/249245509.db2.gz GRCYUAVJYKWVIC-NEPJUHHUSA-N -1 3 299.378 3.022 20 0 CGADHM C[C@@H]1CCCC[C@H]1CC(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000516842359 249245512 /nfs/dbraw/zinc/24/55/12/249245512.db2.gz GRCYUAVJYKWVIC-NEPJUHHUSA-N -1 3 299.378 3.022 20 0 CGADHM CCc1ncc(C(=O)[N-]c2ccc(O)cc2SC)s1 ZINC000515453667 249211987 /nfs/dbraw/zinc/21/19/87/249211987.db2.gz WFAJQAIZFGBKBD-UHFFFAOYSA-N -1 3 294.401 3.385 20 0 CGADHM C[C@H]1C[C@H](NC(=O)c2cc(=O)c3ccccc3[n-]2)C[C@@H](C)C1 ZINC000265768163 190205577 /nfs/dbraw/zinc/20/55/77/190205577.db2.gz CJWOVHCSNLAZSW-ITGUQSILSA-N -1 3 298.386 3.495 20 0 CGADHM O=C(NCc1ccc([O-])c(F)c1)[C@H]1CCCc2ccccc21 ZINC000265796119 190207290 /nfs/dbraw/zinc/20/72/90/190207290.db2.gz MFSWKZWZXYCLKQ-HNNXBMFYSA-N -1 3 299.345 3.268 20 0 CGADHM Cc1cc(CN(C)CCCc2ccccc2)oc1C(=O)[O-] ZINC000574995824 377735711 /nfs/dbraw/zinc/73/57/11/377735711.db2.gz KPQVSNVLSOUDEC-UHFFFAOYSA-N -1 3 287.359 3.351 20 0 CGADHM O=C(Nc1c([O-])cccc1Cl)[C@@H]1C[C@H]1C(F)(F)F ZINC000575000382 377736091 /nfs/dbraw/zinc/73/60/91/377736091.db2.gz ANUBMHNZRCKLKQ-PHDIDXHHSA-N -1 3 279.645 3.183 20 0 CGADHM O=C(Nc1c([O-])cccc1Cl)[C@@H]1CCCCS1 ZINC000575194073 377761137 /nfs/dbraw/zinc/76/11/37/377761137.db2.gz AJXBACRQTWKVGB-JTQLQIEISA-N -1 3 271.769 3.270 20 0 CGADHM COc1cccc(C2(NCc3ccc(C(=O)[O-])cc3)CC2)c1 ZINC000263405470 377931887 /nfs/dbraw/zinc/93/18/87/377931887.db2.gz JNJXWNIPRBWYLC-UHFFFAOYSA-N -1 3 297.354 3.172 20 0 CGADHM CCC[C@H](NCc1ccc(F)c(Cl)c1Cl)C(=O)[O-] ZINC000263398270 377932363 /nfs/dbraw/zinc/93/23/63/377932363.db2.gz HILSTGLOBKCCLU-VIFPVBQESA-N -1 3 294.153 3.475 20 0 CGADHM CC(C)C[C@@H](CNCc1ccccc1Cl)C(=O)[O-] ZINC000263468118 377939182 /nfs/dbraw/zinc/93/91/82/377939182.db2.gz GUALOJKQVUNPID-LBPRGKRZSA-N -1 3 269.772 3.177 20 0 CGADHM Cc1ccc(-c2ccc(CN(C)C[C@H](C)C(=O)[O-])o2)cc1 ZINC000263459810 377939941 /nfs/dbraw/zinc/93/99/41/377939941.db2.gz BKWIVKQERSOSEB-ZDUSSCGKSA-N -1 3 287.359 3.408 20 0 CGADHM CC[C@@H](C)[C@H](C)N(C(=O)c1cccc(OC)c1[O-])C1CC1 ZINC000264358289 377979197 /nfs/dbraw/zinc/97/91/97/377979197.db2.gz HBLPQUQOJWSROC-NEPJUHHUSA-N -1 3 291.391 3.440 20 0 CGADHM O=C(CCCc1ccc([O-])c(F)c1)Nc1cncc(F)c1 ZINC000343745841 378081023 /nfs/dbraw/zinc/08/10/23/378081023.db2.gz OCKWNHLLHAMWKP-UHFFFAOYSA-N -1 3 292.285 3.027 20 0 CGADHM COc1ccc(C(=O)Nc2cc(F)ccc2[O-])cc1Cl ZINC000343885492 378124885 /nfs/dbraw/zinc/12/48/85/378124885.db2.gz GSPWHKGAARCMBF-UHFFFAOYSA-N -1 3 295.697 3.446 20 0 CGADHM CC[C@@H]1Cc2ccccc2CN1Cc1ccoc1C(=O)[O-] ZINC000579119573 378131408 /nfs/dbraw/zinc/13/14/08/378131408.db2.gz RMMXWLNBJZQYCN-OAHLLOKOSA-N -1 3 285.343 3.315 20 0 CGADHM Cc1cncc(CN(CCCC(=O)[O-])Cc2ccccc2)c1 ZINC000579244630 378143800 /nfs/dbraw/zinc/14/38/00/378143800.db2.gz ARXWSYHODCIXNX-UHFFFAOYSA-N -1 3 298.386 3.257 20 0 CGADHM O=C([O-])c1ccc(CN2CCC[C@H]2c2cccs2)o1 ZINC000579603105 378175723 /nfs/dbraw/zinc/17/57/23/378175723.db2.gz GHOAXEKDTRYUBJ-NSHDSACASA-N -1 3 277.345 3.376 20 0 CGADHM CS[C@H]1CCCCN(Cc2csc(C(=O)[O-])c2)C1 ZINC000581016783 378276779 /nfs/dbraw/zinc/27/67/79/378276779.db2.gz FOGOPBRZMFMVQU-NSHDSACASA-N -1 3 285.434 3.164 20 0 CGADHM C[C@H](c1ccccc1Cl)N(C)CC1(C(=O)[O-])CC1 ZINC000581435043 378278898 /nfs/dbraw/zinc/27/88/98/378278898.db2.gz YAYLBGOQWMAUEU-SNVBAGLBSA-N -1 3 267.756 3.198 20 0 CGADHM Cc1ccccc1[C@@H](C(=O)[O-])N1CCc2sccc2C1 ZINC000582067665 378282620 /nfs/dbraw/zinc/28/26/20/378282620.db2.gz DFXJKEOTHDTFFN-HNNXBMFYSA-N -1 3 287.384 3.241 20 0 CGADHM CCOC[C@H]1CCCN(Cc2cc(C(=O)[O-])sc2C)C1 ZINC000580720293 378252693 /nfs/dbraw/zinc/25/26/93/378252693.db2.gz XOEDTTAZYPLFLM-LBPRGKRZSA-N -1 3 297.420 3.003 20 0 CGADHM O=C(Nc1ccc(Cl)cc1[O-])C1CCSCC1 ZINC000270192657 378319893 /nfs/dbraw/zinc/31/98/93/378319893.db2.gz ZRMCXYOTYSDEIM-UHFFFAOYSA-N -1 3 271.769 3.127 20 0 CGADHM CC[C@H]1C[C@@H](C)CN1C(=O)c1c[n-]c2ccc(C)cc2c1=O ZINC000583744763 378343447 /nfs/dbraw/zinc/34/34/47/378343447.db2.gz XGBASEMKTGQFAI-OLZOCXBDSA-N -1 3 298.386 3.097 20 0 CGADHM Cc1cccc([C@H]2CCCN2C(=O)Cc2cncc([O-])c2)c1 ZINC000584540124 378394012 /nfs/dbraw/zinc/39/40/12/378394012.db2.gz OFFPOOXSWIOFMG-QGZVFWFLSA-N -1 3 296.370 3.002 20 0 CGADHM Cc1nc(NC(=O)CCCc2ccc([O-])c(F)c2)cs1 ZINC000345881651 378397479 /nfs/dbraw/zinc/39/74/79/378397479.db2.gz LAEFTEWPRZLJCF-UHFFFAOYSA-N -1 3 294.351 3.258 20 0 CGADHM Cc1cccc(C2(C(=O)Nc3nc(C)ccc3[O-])CC2)c1 ZINC000345922836 378409553 /nfs/dbraw/zinc/40/95/53/378409553.db2.gz GOKPZJQZNURCGN-UHFFFAOYSA-N -1 3 282.343 3.074 20 0 CGADHM Cc1ccc([O-])c(C(=O)N[C@@H]2CCO[C@@H](C(C)(C)C)C2)c1 ZINC000270889575 378410757 /nfs/dbraw/zinc/41/07/57/378410757.db2.gz MNZHPDRYVCPSBO-IUODEOHRSA-N -1 3 291.391 3.024 20 0 CGADHM Cc1cccc(C(=O)N[C@H]2CCO[C@@H](C(C)(C)C)C2)c1[O-] ZINC000270710437 378391858 /nfs/dbraw/zinc/39/18/58/378391858.db2.gz BPMFZTLOSVMNCU-GXTWGEPZSA-N -1 3 291.391 3.024 20 0 CGADHM Cc1ccc([O-])c(NC(=O)[C@@H](C)c2c(F)cccc2F)n1 ZINC000345946882 378417388 /nfs/dbraw/zinc/41/73/88/378417388.db2.gz UUKMCJFKICXPOG-VIFPVBQESA-N -1 3 292.285 3.116 20 0 CGADHM O=C(/C=C/c1ccc(OC(F)F)cc1)[N-]OC1CCCC1 ZINC000271811266 378506694 /nfs/dbraw/zinc/50/66/94/378506694.db2.gz UILRQPHJHYFTGO-JXMROGBWSA-N -1 3 297.301 3.292 20 0 CGADHM CC(C)C[C@H](C(=O)[O-])N(C)Cc1cc(F)ccc1Cl ZINC000565899433 322096054 /nfs/dbraw/zinc/09/60/54/322096054.db2.gz YCWYHVLDNOPCPW-CYBMUJFWSA-N -1 3 287.762 3.410 20 0 CGADHM Cc1ncc(CN[C@H](C)c2ccc(F)c(Cl)c2)c(=O)[n-]1 ZINC000346802606 218019730 /nfs/dbraw/zinc/01/97/30/218019730.db2.gz DHENFDPZJWLZOC-MRVPVSSYSA-N -1 3 295.745 3.134 20 0 CGADHM Cc1c2ccccc2oc1[C@@H](C)NCc1cnc(C)[n-]c1=O ZINC000346810311 218023515 /nfs/dbraw/zinc/02/35/15/218023515.db2.gz RMKPATVLZSHXGW-LLVKDONJSA-N -1 3 297.358 3.396 20 0 CGADHM Cc1cccc(C(=O)N2CC[C@H](C)c3cccc([O-])c32)n1 ZINC000274359434 378818034 /nfs/dbraw/zinc/81/80/34/378818034.db2.gz KNUZVKMLUDGCPM-NSHDSACASA-N -1 3 282.343 3.250 20 0 CGADHM CCCCOc1ccc(NC([O-])=NOC2CCCC2)cn1 ZINC000274821289 378901800 /nfs/dbraw/zinc/90/18/00/378901800.db2.gz DVNVZJNGZCLLIF-UHFFFAOYSA-N -1 3 293.367 3.256 20 0 CGADHM CCCCOc1ccc(NC(=O)[N-]OC2CCCC2)cn1 ZINC000274821289 378901803 /nfs/dbraw/zinc/90/18/03/378901803.db2.gz DVNVZJNGZCLLIF-UHFFFAOYSA-N -1 3 293.367 3.256 20 0 CGADHM CSc1cccc(NC([O-])=NO[C@@H]2CCCCO2)c1C ZINC000274922031 378919445 /nfs/dbraw/zinc/91/94/45/378919445.db2.gz ZFTJDQWIVCILFF-CYBMUJFWSA-N -1 3 296.392 3.297 20 0 CGADHM CSc1cccc(NC(=O)[N-]O[C@@H]2CCCCO2)c1C ZINC000274922031 378919451 /nfs/dbraw/zinc/91/94/51/378919451.db2.gz ZFTJDQWIVCILFF-CYBMUJFWSA-N -1 3 296.392 3.297 20 0 CGADHM CC[C@@H]1CCC[C@H](CNCc2cc(C(=O)[O-])co2)C1 ZINC000277029011 379047393 /nfs/dbraw/zinc/04/73/93/379047393.db2.gz PMFFBLNHXVZJJL-NEPJUHHUSA-N -1 3 265.353 3.284 20 0 CGADHM CCCCn1ncc(C(=O)Nc2ccccc2[O-])c1CC ZINC000277042343 379052204 /nfs/dbraw/zinc/05/22/04/379052204.db2.gz GZUCQWIPADWKSW-UHFFFAOYSA-N -1 3 287.363 3.204 20 0 CGADHM CC[C@@H](NC(=O)c1csc(=O)[n-]1)c1ccc(F)cc1F ZINC000348882987 379096980 /nfs/dbraw/zinc/09/69/80/379096980.db2.gz BJJRRITYKAASOX-SNVBAGLBSA-N -1 3 298.314 3.008 20 0 CGADHM COc1cccc([C@H](CC(=O)[O-])NCc2cccc(C)c2)c1 ZINC000277431368 379157701 /nfs/dbraw/zinc/15/77/01/379157701.db2.gz UBOCSKQNNADFMQ-KRWDZBQOSA-N -1 3 299.370 3.309 20 0 CGADHM COc1cc(C)cc(NC(=O)[N-]OCC(C)C)c1C ZINC000278840564 194178082 /nfs/dbraw/zinc/17/80/82/194178082.db2.gz DWVUUAMYWVRECZ-UHFFFAOYSA-N -1 3 266.341 3.021 20 0 CGADHM CCSCC[C@@H](C)N(C)C(=O)c1ccc(OC)cc1[O-] ZINC000266616429 190271865 /nfs/dbraw/zinc/27/18/65/190271865.db2.gz DSPVGZIDDNPAGY-LLVKDONJSA-N -1 3 297.420 3.005 20 0 CGADHM CC1(F)CCN(Cc2cccc([O-])c2Cl)CC1 ZINC000639388899 379352001 /nfs/dbraw/zinc/35/20/01/379352001.db2.gz OJYJIUZSMLARSX-UHFFFAOYSA-N -1 3 257.736 3.370 20 0 CGADHM CC[C@@H]([N-]C(=O)C(F)F)c1ccccc1OC(F)F ZINC000279416648 379430977 /nfs/dbraw/zinc/43/09/77/379430977.db2.gz FHPXFKLWRSFVDB-MRVPVSSYSA-N -1 3 279.233 3.120 20 0 CGADHM CCN(CCc1cccs1)[C@@H](C)c1nc(C)cc(=O)[n-]1 ZINC000279483752 379444953 /nfs/dbraw/zinc/44/49/53/379444953.db2.gz OGHNPKLGBKPGNB-LBPRGKRZSA-N -1 3 291.420 3.178 20 0 CGADHM Cc1ccc(NC(=O)c2c[nH]cc2C2CC2)c([O-])c1 ZINC000639461912 379410750 /nfs/dbraw/zinc/41/07/50/379410750.db2.gz KHOAOLWGINXCEE-UHFFFAOYSA-N -1 3 256.305 3.158 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N[C@H](C)c2ccc(F)c(C)c2)n1 ZINC000279151223 379413960 /nfs/dbraw/zinc/41/39/60/379413960.db2.gz ZUADTSQHRNYWOL-NEPJUHHUSA-N -1 3 289.354 3.350 20 0 CGADHM [O-]c1ccc(-c2noc(-c3ccnc4ccncc43)n2)cc1 ZINC000350566804 379561880 /nfs/dbraw/zinc/56/18/80/379561880.db2.gz QJHCVRJCGDMBSD-UHFFFAOYSA-N -1 3 290.282 3.052 20 0 CGADHM O=c1cc(-c2nc(-c3ccc([O-])cc3)no2)cc(C2CC2)[nH]1 ZINC000350587387 379567190 /nfs/dbraw/zinc/56/71/90/379567190.db2.gz WSUPQMKVESCURW-UHFFFAOYSA-N -1 3 295.298 3.087 20 0 CGADHM CC(C)(C)CCS(=O)(=O)[N-]c1cc(F)ccc1F ZINC000267148295 190306769 /nfs/dbraw/zinc/30/67/69/190306769.db2.gz MRNOCSGSEQKXJY-UHFFFAOYSA-N -1 3 277.336 3.143 20 0 CGADHM CC[C@@H]1CCCC[C@@H]1C(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000280486228 379716042 /nfs/dbraw/zinc/71/60/42/379716042.db2.gz FAQXFCXAZCVWLM-NEPJUHHUSA-N -1 3 299.378 3.022 20 0 CGADHM CC[C@@H]1CCCC[C@@H]1C(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000280486228 379716048 /nfs/dbraw/zinc/71/60/48/379716048.db2.gz FAQXFCXAZCVWLM-NEPJUHHUSA-N -1 3 299.378 3.022 20 0 CGADHM CC[C@@H]1CCCC[C@@H]1C(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000280486228 379716050 /nfs/dbraw/zinc/71/60/50/379716050.db2.gz FAQXFCXAZCVWLM-NEPJUHHUSA-N -1 3 299.378 3.022 20 0 CGADHM CSCCON=C([O-])Nc1cccc(C(C)C)c1 ZINC000280620471 379748964 /nfs/dbraw/zinc/74/89/64/379748964.db2.gz WGIBACFQLYKXLJ-UHFFFAOYSA-N -1 3 268.382 3.226 20 0 CGADHM CSCCO[N-]C(=O)Nc1cccc(C(C)C)c1 ZINC000280620471 379748969 /nfs/dbraw/zinc/74/89/69/379748969.db2.gz WGIBACFQLYKXLJ-UHFFFAOYSA-N -1 3 268.382 3.226 20 0 CGADHM CSCCON=C([O-])Nc1ccc(Cl)cc1C ZINC000280626345 379750079 /nfs/dbraw/zinc/75/00/79/379750079.db2.gz WTQDWSDPSMSEKH-UHFFFAOYSA-N -1 3 274.773 3.065 20 0 CGADHM CSCCO[N-]C(=O)Nc1ccc(Cl)cc1C ZINC000280626345 379750081 /nfs/dbraw/zinc/75/00/81/379750081.db2.gz WTQDWSDPSMSEKH-UHFFFAOYSA-N -1 3 274.773 3.065 20 0 CGADHM CC1=CCCN(C(=O)c2ccc3c(c2[O-])CCCC3)C1 ZINC000280786848 379789242 /nfs/dbraw/zinc/78/92/42/379789242.db2.gz QKJVOPSLIKJNFK-UHFFFAOYSA-N -1 3 271.360 3.063 20 0 CGADHM COC(=O)c1cnc(SCc2cnc3ccccc3c2)[n-]1 ZINC000347781922 218354318 /nfs/dbraw/zinc/35/43/18/218354318.db2.gz VFMNDABLYBRALM-UHFFFAOYSA-N -1 3 299.355 3.037 20 0 CGADHM Cc1cccc(C(=O)N(C)C[C@H]2CC=CCC2)c1[O-] ZINC000402786218 379973254 /nfs/dbraw/zinc/97/32/54/379973254.db2.gz SPTRKYADCWLPKQ-ZDUSSCGKSA-N -1 3 259.349 3.129 20 0 CGADHM C[C@H]1CCN1C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000641245215 379978165 /nfs/dbraw/zinc/97/81/65/379978165.db2.gz YCKCKCVJEQWPPW-ZDUSSCGKSA-N -1 3 281.355 3.217 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)C2CCC2)c1-c1ccc(Cl)cc1 ZINC000641252767 379981020 /nfs/dbraw/zinc/98/10/20/379981020.db2.gz ZARLVZVHJJXFLV-UHFFFAOYSA-N -1 3 289.766 3.199 20 0 CGADHM COc1ccc(NCc2cc([O-])cc(C(F)(F)F)c2)cn1 ZINC000352843066 379999400 /nfs/dbraw/zinc/99/94/00/379999400.db2.gz QERRZHPRAWJEBA-UHFFFAOYSA-N -1 3 298.264 3.427 20 0 CGADHM [O-]c1ccc(F)c(CNc2cccc3c2OCO3)c1F ZINC000352867314 380012852 /nfs/dbraw/zinc/01/28/52/380012852.db2.gz PYBKJJQOECXHKD-UHFFFAOYSA-N -1 3 279.242 3.011 20 0 CGADHM COC1(CNCc2c(F)ccc([O-])c2F)CCCCC1 ZINC000352960232 380056612 /nfs/dbraw/zinc/05/66/12/380056612.db2.gz DKLAPOOAPRBKCS-UHFFFAOYSA-N -1 3 285.334 3.109 20 0 CGADHM COc1cc(C(=O)N[C@H](C)CCc2ccccc2)ccc1[O-] ZINC000268063356 190373823 /nfs/dbraw/zinc/37/38/23/190373823.db2.gz FXHRSHCTVFJTGH-CYBMUJFWSA-N -1 3 299.370 3.152 20 0 CGADHM Cc1ncccc1CC(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000286199453 380174588 /nfs/dbraw/zinc/17/45/88/380174588.db2.gz WCFGNFKCCRJITJ-LBPRGKRZSA-N -1 3 296.370 3.179 20 0 CGADHM O=C(Nc1ccccc1[O-])c1cc(-c2ccccc2F)on1 ZINC000642229273 380153024 /nfs/dbraw/zinc/15/30/24/380153024.db2.gz NIKNQSVDEURIJY-UHFFFAOYSA-N -1 3 298.273 3.439 20 0 CGADHM Cc1cccc(NCc2cc(=O)[n-]c(C3CC3)n2)c1C ZINC000416993858 380558111 /nfs/dbraw/zinc/55/81/11/380558111.db2.gz QUSOADYDJDSGOS-UHFFFAOYSA-N -1 3 269.348 3.289 20 0 CGADHM CCOc1c(Cl)cccc1CNCC[C@@H](C)CC(=O)[O-] ZINC000417553944 380636372 /nfs/dbraw/zinc/63/63/72/380636372.db2.gz BUGSFZNVVUMQDY-LLVKDONJSA-N -1 3 299.798 3.329 20 0 CGADHM CC(C)(C)c1cnc(CN[C@H](CC(=O)[O-])C(C)(C)C)s1 ZINC000417557810 380637929 /nfs/dbraw/zinc/63/79/29/380637929.db2.gz CTMUCEDRRKBPAN-SNVBAGLBSA-N -1 3 298.452 3.420 20 0 CGADHM CCc1nc(CN[C@H]2CCCCCC[C@@H]2C(=O)[O-])cs1 ZINC000417557779 380638296 /nfs/dbraw/zinc/63/82/96/380638296.db2.gz CNWVZSFEWKXFJP-STQMWFEESA-N -1 3 296.436 3.219 20 0 CGADHM O=C([O-])CC[C@@H](NCc1ccsc1)c1ccccc1 ZINC000417605535 380648408 /nfs/dbraw/zinc/64/84/08/380648408.db2.gz YMZQINBYYRHPHQ-CQSZACIVSA-N -1 3 275.373 3.444 20 0 CGADHM O=C([O-])CC[C@@H](NCc1cccs1)c1ccccc1 ZINC000417589345 380645003 /nfs/dbraw/zinc/64/50/03/380645003.db2.gz ADLBBDJLAZRBEY-CQSZACIVSA-N -1 3 275.373 3.444 20 0 CGADHM C[C@H](CNCc1ccc(-c2c(F)cccc2F)o1)C(=O)[O-] ZINC000417584617 380645633 /nfs/dbraw/zinc/64/56/33/380645633.db2.gz NDYGXMANBWAXDB-SECBINFHSA-N -1 3 295.285 3.035 20 0 CGADHM Cc1cc(Cl)ccc1CN[C@@H](COC(C)(C)C)C(=O)[O-] ZINC000417601060 380647021 /nfs/dbraw/zinc/64/70/21/380647021.db2.gz ROKPFSZKIHDHRI-ZDUSSCGKSA-N -1 3 299.798 3.006 20 0 CGADHM Cc1ccc([O-])c(NC(=O)C[C@@H]2C[C@@H]2c2ccccc2)n1 ZINC000355512977 380694304 /nfs/dbraw/zinc/69/43/04/380694304.db2.gz YXKSJLQABANLGB-UONOGXRCSA-N -1 3 282.343 3.228 20 0 CGADHM O=C([O-])[C@@H]1C[C@@H](NCc2ccsc2)c2ccccc21 ZINC000417618897 380653999 /nfs/dbraw/zinc/65/39/99/380653999.db2.gz JWMHYDMRGVRWFC-ZIAGYGMSSA-N -1 3 273.357 3.151 20 0 CGADHM CC(C)c1ccc(C(=O)N[C@H]2C[C@@H]2c2cccnc2)c([O-])c1 ZINC000646062145 380815931 /nfs/dbraw/zinc/81/59/31/380815931.db2.gz SUACRMGGQKCHPP-CVEARBPZSA-N -1 3 296.370 3.197 20 0 CGADHM C[C@@H]1C[C@@H](C)[C@H](C)N(C(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC000356674201 380818412 /nfs/dbraw/zinc/81/84/12/380818412.db2.gz NOHMFXOTDWPVLT-UPJWGTAASA-N -1 3 298.386 3.035 20 0 CGADHM Cc1ccc([O-])c(CN2CCc3c2cccc3Cl)n1 ZINC000356945943 380950043 /nfs/dbraw/zinc/95/00/43/380950043.db2.gz IXXFOKVKQFWGAV-UHFFFAOYSA-N -1 3 274.751 3.312 20 0 CGADHM CCS[C@H]1CC[C@H](N(C)C(=O)c2cccc([O-])c2)C1 ZINC000357365672 381129790 /nfs/dbraw/zinc/12/97/90/381129790.db2.gz OAVGQEYILRWKLP-JSGCOSHPSA-N -1 3 279.405 3.138 20 0 CGADHM CCOc1cccc([C@@H]2C[C@H]2NC(=O)c2cccc([O-])c2)c1 ZINC000357470531 381170790 /nfs/dbraw/zinc/17/07/90/381170790.db2.gz DJXOBGRMRRVCIJ-DLBZAZTESA-N -1 3 297.354 3.077 20 0 CGADHM CCOCc1nc(=O)c2c3c(sc2[n-]1)C[C@H](CC)CC3 ZINC000361425906 381742167 /nfs/dbraw/zinc/74/21/67/381742167.db2.gz KDJGPXRHUPTJBC-SECBINFHSA-N -1 3 292.404 3.448 20 0 CGADHM CSc1ccccc1CN(C)C(=O)c1ccccc1[O-] ZINC000436848560 533038002 /nfs/dbraw/zinc/03/80/02/533038002.db2.gz ASIITYCGHZTURP-UHFFFAOYSA-N -1 3 287.384 3.386 20 0 CGADHM CO[C@]1(C)CCCN(C(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000279896246 542379921 /nfs/dbraw/zinc/37/99/21/542379921.db2.gz HSKZDYMZHCCSCC-GOSISDBHSA-N -1 3 299.370 3.187 20 0 CGADHM O=C(Cc1ccc([O-])cc1Cl)N(CC1CC1)C1CCC1 ZINC000350436286 219020486 /nfs/dbraw/zinc/02/04/86/219020486.db2.gz BMRFHCCBODHOSN-UHFFFAOYSA-N -1 3 293.794 3.379 20 0 CGADHM COCc1ncsc1C(=O)[N-]c1ncsc1C(C)C ZINC000289220805 197267027 /nfs/dbraw/zinc/26/70/27/197267027.db2.gz UFRLDLZCHMLRST-UHFFFAOYSA-N -1 3 297.405 3.122 20 0 CGADHM CC(C)c1ccc(CNC(=O)c2ccc3n[n-]nc3c2)cc1 ZINC000353838131 220356647 /nfs/dbraw/zinc/35/66/47/220356647.db2.gz DARFSEWICZDEBW-UHFFFAOYSA-N -1 3 294.358 3.011 20 0 CGADHM C[C@@H]([N-]C(=O)C(C)(F)F)c1ccc(OC(F)F)cc1 ZINC000288662015 197139859 /nfs/dbraw/zinc/13/98/59/197139859.db2.gz VXQZBVQKVJTUDO-SSDOTTSWSA-N -1 3 279.233 3.120 20 0 CGADHM C[C@@H](NC(=O)c1cc([O-])c2ccccc2c1)[C@@H]1CCCOC1 ZINC000335165901 542465008 /nfs/dbraw/zinc/46/50/08/542465008.db2.gz KBNOVHPRRXSBEX-TZMCWYRMSA-N -1 3 299.370 3.090 20 0 CGADHM O=C(c1cc([O-])c2ccccc2c1)N(CC(F)F)C1CC1 ZINC000349714178 542526123 /nfs/dbraw/zinc/52/61/23/542526123.db2.gz ZKNHWSHVHLMUKW-UHFFFAOYSA-N -1 3 291.297 3.415 20 0 CGADHM CSc1ccc(NC(=O)/C=C/c2cncc([O-])c2)cc1 ZINC000179397333 260047241 /nfs/dbraw/zinc/04/72/41/260047241.db2.gz NZVNGCPMMVSMAQ-FARCUNLSSA-N -1 3 286.356 3.161 20 0 CGADHM COC[C@H](C)[C@@H](C)C(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000487206214 285367040 /nfs/dbraw/zinc/36/70/40/285367040.db2.gz ZKZNPJIJNRYSFG-RWMBFGLXSA-N -1 3 291.391 3.151 20 0 CGADHM Cc1ccc(C(=O)N[C@H](C)c2ccc(Cl)cn2)c([O-])c1 ZINC000436976084 533590941 /nfs/dbraw/zinc/59/09/41/533590941.db2.gz APDRXXQSFDDRAK-SNVBAGLBSA-N -1 3 290.750 3.240 20 0 CGADHM Cc1ccc(C(=O)Nc2ccc3ccn(C)c3c2)c([O-])c1 ZINC000436556269 533612361 /nfs/dbraw/zinc/61/23/61/533612361.db2.gz RNZXHNLLXGDTRD-UHFFFAOYSA-N -1 3 280.327 3.445 20 0 CGADHM Cc1cc(C(=O)Nc2ccc([O-])cc2F)cs1 ZINC000381175204 542596672 /nfs/dbraw/zinc/59/66/72/542596672.db2.gz QBJXIKKXYFAIHN-UHFFFAOYSA-N -1 3 251.282 3.154 20 0 CGADHM O=C([N-]c1nccs1)c1cc(-c2ccccc2F)on1 ZINC000030017051 391959650 /nfs/dbraw/zinc/95/96/50/391959650.db2.gz MTSDQSVXURKZIQ-UHFFFAOYSA-N -1 3 289.291 3.190 20 0 CGADHM CCC1(C)CCN(C(=O)c2cccc(C)c2[O-])CC1 ZINC000060942518 392124502 /nfs/dbraw/zinc/12/45/02/392124502.db2.gz MRKJGRXFQBICCD-UHFFFAOYSA-N -1 3 261.365 3.353 20 0 CGADHM CC[C@@H](NC(=O)c1ccccc1[O-])c1nc(C)cs1 ZINC000105381584 392288259 /nfs/dbraw/zinc/28/82/59/392288259.db2.gz UQNZJYYZOWDZNH-LLVKDONJSA-N -1 3 276.361 3.038 20 0 CGADHM CCCO[C@H]1CCCN(C(=O)c2cccc(C)c2[O-])CC1 ZINC000108230978 392338837 /nfs/dbraw/zinc/33/88/37/392338837.db2.gz KVPFODKMCVGUQZ-AWEZNQCLSA-N -1 3 291.391 3.122 20 0 CGADHM CCc1cccc(CC(=O)Nc2ccc(OC)cc2[O-])c1 ZINC000443561838 542667159 /nfs/dbraw/zinc/66/71/59/542667159.db2.gz SATHGIXWCLJGLE-UHFFFAOYSA-N -1 3 285.343 3.144 20 0 CGADHM Cc1nc(C(C)C)sc1[C@H](C)N(C)CCCC(=O)[O-] ZINC000261941811 131178336 /nfs/dbraw/zinc/17/83/36/131178336.db2.gz MUPVRGMLEHCYFQ-NSHDSACASA-N -1 3 284.425 3.433 20 0 CGADHM CO[C@H]([C@@H](C)NC(=O)c1cc([O-])c2ccccc2c1)C1CC1 ZINC000456542582 542688651 /nfs/dbraw/zinc/68/86/51/542688651.db2.gz DGFGBICHNNVSIJ-PIGZYNQJSA-N -1 3 299.370 3.089 20 0 CGADHM CCc1cc(C(=O)NCCCc2cccc(C)n2)ccc1[O-] ZINC000291800134 392485102 /nfs/dbraw/zinc/48/51/02/392485102.db2.gz DTHWFMHKXWSPIS-UHFFFAOYSA-N -1 3 298.386 3.021 20 0 CGADHM CC[C@@H](C)N(CC(=O)[O-])Cc1ccc(Cl)cc1F ZINC000162538835 392597073 /nfs/dbraw/zinc/59/70/73/392597073.db2.gz XTXPDKROBOIPKW-SECBINFHSA-N -1 3 273.735 3.164 20 0 CGADHM Cc1ccccc1C1=CCN(C(=O)c2cccc([O-])c2)C1 ZINC000371676897 392545142 /nfs/dbraw/zinc/54/51/42/392545142.db2.gz PQHVBQDSMJNFRC-UHFFFAOYSA-N -1 3 279.339 3.240 20 0 CGADHM C[C@](CO)(NCc1cccc([O-])c1Cl)c1ccccc1 ZINC000328438539 392674832 /nfs/dbraw/zinc/67/48/32/392674832.db2.gz CUVYECZGNNDVFE-MRXNPFEDSA-N -1 3 291.778 3.043 20 0 CGADHM Cc1cc(C)c2c(=O)[n-]c(SCCCCF)nc2n1 ZINC000505655430 392686241 /nfs/dbraw/zinc/68/62/41/392686241.db2.gz CLGBZYKTVTYMNB-UHFFFAOYSA-N -1 3 281.356 3.189 20 0 CGADHM O=C(CCC1CCCC1)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000647802133 392802960 /nfs/dbraw/zinc/80/29/60/392802960.db2.gz HAYPYTUYGRJROZ-UHFFFAOYSA-N -1 3 273.336 3.177 20 0 CGADHM C[C@@H]1CCC[C@@H](NC(=O)c2c[n-]c3ccccc3c2=O)CC1 ZINC000188918145 392803004 /nfs/dbraw/zinc/80/30/04/392803004.db2.gz QASKVGFQWFTVIF-CHWSQXEVSA-N -1 3 298.386 3.227 20 0 CGADHM CC(C)n1nccc1C(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000336047779 392830980 /nfs/dbraw/zinc/83/09/80/392830980.db2.gz BLJAMQQDSSQCCG-LBPRGKRZSA-N -1 3 299.374 3.324 20 0 CGADHM Cc1ccc(C(=O)N2CC[C@H](C)c3cccc([O-])c32)cc1N ZINC000648172029 392925718 /nfs/dbraw/zinc/92/57/18/392925718.db2.gz YXVJCTLNYPCIKG-NSHDSACASA-N -1 3 296.370 3.437 20 0 CGADHM O=C(NCC1CCCC1)c1cc([O-])c2ccccc2c1 ZINC000526909863 542741590 /nfs/dbraw/zinc/74/15/90/542741590.db2.gz JUJJCYRZWWMERH-UHFFFAOYSA-N -1 3 269.344 3.465 20 0 CGADHM Cc1cccc(CNC(=O)c2cc([O-])c3ccccc3c2)n1 ZINC000526849967 542741660 /nfs/dbraw/zinc/74/16/60/542741660.db2.gz GPWXPKUOMDIGNR-UHFFFAOYSA-N -1 3 292.338 3.179 20 0 CGADHM [O-]c1cccc(CN2CCOCC3(CCCC3)C2)c1Cl ZINC000646164651 393234625 /nfs/dbraw/zinc/23/46/25/393234625.db2.gz FQSDOZKRPCRCLO-UHFFFAOYSA-N -1 3 295.810 3.438 20 0 CGADHM CC(C)[C@H](C)CNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000469377014 393189018 /nfs/dbraw/zinc/18/90/18/393189018.db2.gz LLHZJFPGDWAXAV-GFCCVEGCSA-N -1 3 281.371 3.262 20 0 CGADHM CC[C@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)[C@H]1CC1(C)C ZINC000416280372 393290550 /nfs/dbraw/zinc/29/05/50/393290550.db2.gz XWDSGTMPXYMHCS-OLZOCXBDSA-N -1 3 298.386 3.083 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2C[C@H](C)[C@H](C)[C@H]2C)c1 ZINC000416326168 393300859 /nfs/dbraw/zinc/30/08/59/393300859.db2.gz ZQIJXNOBSPOLOE-SDDRHHMPSA-N -1 3 261.365 3.071 20 0 CGADHM Cc1cc2c([n-]c(-c3cc(C)cc(C)n3)nc2=O)s1 ZINC000357065798 292013103 /nfs/dbraw/zinc/01/31/03/292013103.db2.gz LALOWOBOUKFDKK-UHFFFAOYSA-N -1 3 271.345 3.384 20 0 CGADHM CCCN(C(=O)c1cc([O-])cc(C(F)(F)F)c1)C1CC1 ZINC000646952196 393329051 /nfs/dbraw/zinc/32/90/51/393329051.db2.gz DNPXTPKWLHBZJZ-UHFFFAOYSA-N -1 3 287.281 3.426 20 0 CGADHM C[C@H]1[C@@H](C(F)(F)F)CCN1Cc1cc([O-])cc(F)c1 ZINC000355227926 393271062 /nfs/dbraw/zinc/27/10/62/393271062.db2.gz WJKDODUWFBVWOH-UFBFGSQYSA-N -1 3 277.261 3.304 20 0 CGADHM CSc1ccsc1C(=O)N=c1[nH][n-]c(C(C)C)c1C ZINC000649232141 393380765 /nfs/dbraw/zinc/38/07/65/393380765.db2.gz UKPUKZJOMVZYHR-UHFFFAOYSA-N -1 3 295.433 3.299 20 0 CGADHM COCCCSCc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000419466824 393387945 /nfs/dbraw/zinc/38/79/45/393387945.db2.gz UFWKUKQLNAIJQZ-UHFFFAOYSA-N -1 3 290.388 3.119 20 0 CGADHM C[C@@H]1CN(Cc2cc([O-])cc(C(F)(F)F)c2)CCS1 ZINC000356229149 393389819 /nfs/dbraw/zinc/38/98/19/393389819.db2.gz XKOMVVZELRGZEQ-SECBINFHSA-N -1 3 291.338 3.348 20 0 CGADHM Cc1cc(N2C[C@@H](C)[C@](C)(C(=O)[O-])C2)c2ccccc2n1 ZINC000649402455 393412836 /nfs/dbraw/zinc/41/28/36/393412836.db2.gz AAPXROMYNBHWNO-PIGZYNQJSA-N -1 3 284.359 3.090 20 0 CGADHM CC[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1[O-])[C@H](C)O ZINC000420132719 393430556 /nfs/dbraw/zinc/43/05/56/393430556.db2.gz ZHPIUBOWYXUBKR-JQWIXIFHSA-N -1 3 279.380 3.035 20 0 CGADHM CCc1cc(C(=O)N[C@H](CCOC)C(C)(C)C)ccc1[O-] ZINC000488351900 393492760 /nfs/dbraw/zinc/49/27/60/393492760.db2.gz NKMUVMHCXIOQJB-OAHLLOKOSA-N -1 3 293.407 3.136 20 0 CGADHM Cc1ccc2c(CN3CCOCC34CCC4)ccc([O-])c2n1 ZINC000429695803 393496451 /nfs/dbraw/zinc/49/64/51/393496451.db2.gz IQDIRJNIMOIURS-UHFFFAOYSA-N -1 3 298.386 3.004 20 0 CGADHM CC1(C[N-]S(=O)(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000429863827 393506793 /nfs/dbraw/zinc/50/67/93/393506793.db2.gz CNEAFFNSEBTQJI-UHFFFAOYSA-N -1 3 294.203 3.072 20 0 CGADHM CC1(CC(=O)Nc2cc(Br)ccc2[O-])CC1 ZINC000430265058 393552722 /nfs/dbraw/zinc/55/27/22/393552722.db2.gz UEUSTKWVSNSMHR-UHFFFAOYSA-N -1 3 284.153 3.283 20 0 CGADHM CSc1ccccc1CC(=O)Nc1ccc([O-])cc1F ZINC000360836293 393595945 /nfs/dbraw/zinc/59/59/45/393595945.db2.gz RCKBGTCMLRLFQX-UHFFFAOYSA-N -1 3 291.347 3.434 20 0 CGADHM O=S(=O)([N-]CCC1CC1)c1ccc(Cl)c(Cl)c1 ZINC000360804201 393591314 /nfs/dbraw/zinc/59/13/14/393591314.db2.gz XBHQUFBVVBUYSC-UHFFFAOYSA-N -1 3 294.203 3.072 20 0 CGADHM COC(=O)c1cnc(SCC2CCCCCC2)[n-]1 ZINC000432660714 393625962 /nfs/dbraw/zinc/62/59/62/393625962.db2.gz UWBJKAJWSWBJJU-UHFFFAOYSA-N -1 3 268.382 3.259 20 0 CGADHM Cc1cn2cc(C(=O)[N-]c3c(F)cccc3F)sc2n1 ZINC000440711039 393734787 /nfs/dbraw/zinc/73/47/87/393734787.db2.gz AUSZFRRXGJYLES-UHFFFAOYSA-N -1 3 293.298 3.235 20 0 CGADHM O=C(/C=C\c1ccsc1)Nc1ccc([O-])cc1F ZINC000492494181 393743815 /nfs/dbraw/zinc/74/38/15/393743815.db2.gz YGXGCNUSGINNEQ-RJRFIUFISA-N -1 3 263.293 3.245 20 0 CGADHM C[C@H]1CCN(C(=O)/C=C/c2ccncc2)c2c([O-])cccc21 ZINC000492597825 393759417 /nfs/dbraw/zinc/75/94/17/393759417.db2.gz SIMIJPSKGNGJSM-GFUIURDCSA-N -1 3 294.354 3.341 20 0 CGADHM CC(C)C[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000443749070 393771996 /nfs/dbraw/zinc/77/19/96/393771996.db2.gz QAFARAKGAWLBIL-SECBINFHSA-N -1 3 293.791 3.192 20 0 CGADHM Cc1cc(C(=O)NCC2(c3ccccc3)CC2)ccc1[O-] ZINC000499604227 393801406 /nfs/dbraw/zinc/80/14/06/393801406.db2.gz LNQDZXXZIVKZMT-UHFFFAOYSA-N -1 3 281.355 3.162 20 0 CGADHM C[C@@H]1C[C@H](C)[C@@H](C(=O)Nc2ccc(C(C)(C)C)cc2[O-])O1 ZINC000501978573 393865339 /nfs/dbraw/zinc/86/53/39/393865339.db2.gz QCVAUZPGSNUMEK-RWSFTLGLSA-N -1 3 291.391 3.442 20 0 CGADHM [O-]c1cccc(CN2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)c1Cl ZINC000449552842 393898183 /nfs/dbraw/zinc/89/81/83/393898183.db2.gz KEMSLKRBNWIGHZ-YRGRVCCFSA-N -1 3 295.810 3.029 20 0 CGADHM CCc1cc(NC(=O)c2cc(F)cc3[n-]nnc32)ccc1C ZINC000503544315 393902917 /nfs/dbraw/zinc/90/29/17/393902917.db2.gz ZBXLCZHYUBVUIW-UHFFFAOYSA-N -1 3 298.321 3.220 20 0 CGADHM CCc1cc(NC(=O)c2cc(F)cc3nn[n-]c32)ccc1C ZINC000503544315 393902922 /nfs/dbraw/zinc/90/29/22/393902922.db2.gz ZBXLCZHYUBVUIW-UHFFFAOYSA-N -1 3 298.321 3.220 20 0 CGADHM CCc1cc(NC(=O)c2cc(F)cc3n[n-]nc32)ccc1C ZINC000503544315 393902925 /nfs/dbraw/zinc/90/29/25/393902925.db2.gz ZBXLCZHYUBVUIW-UHFFFAOYSA-N -1 3 298.321 3.220 20 0 CGADHM [O-]c1cc(F)cc(-c2nc3cnc(C(F)(F)F)cc3[nH]2)c1 ZINC000446148691 393851577 /nfs/dbraw/zinc/85/15/77/393851577.db2.gz GHPDZVGHOIRRMA-UHFFFAOYSA-N -1 3 297.211 3.488 20 0 CGADHM [O-]c1cc(F)cc(-c2nc3cc(C(F)(F)F)ncc3[nH]2)c1 ZINC000446148691 393851580 /nfs/dbraw/zinc/85/15/80/393851580.db2.gz GHPDZVGHOIRRMA-UHFFFAOYSA-N -1 3 297.211 3.488 20 0 CGADHM CC(C)(C(=O)Nc1cc(F)ccc1[O-])C1CCC1 ZINC000450049024 393969306 /nfs/dbraw/zinc/96/93/06/393969306.db2.gz XVQYUMWAAWIYQB-UHFFFAOYSA-N -1 3 251.301 3.296 20 0 CGADHM CCC(CC)(CC)CNC(=O)Cc1ccc([O-])c(F)c1 ZINC000450113051 393981366 /nfs/dbraw/zinc/98/13/66/393981366.db2.gz KDAATPBYMSYXLO-UHFFFAOYSA-N -1 3 281.371 3.406 20 0 CGADHM C[C@@H](c1noc(Cc2ccc([O-])c(F)c2)n1)C1CC1 ZINC000453145422 394187109 /nfs/dbraw/zinc/18/71/09/394187109.db2.gz OQHSIOQVONJDSS-MRVPVSSYSA-N -1 3 262.284 3.019 20 0 CGADHM Cc1ccc(C(=O)N2CC3(CCC3)[C@@H]2C2CC2)c([O-])c1 ZINC000291843999 292049842 /nfs/dbraw/zinc/04/98/42/292049842.db2.gz FDOFLBYOFKDFHO-HNNXBMFYSA-N -1 3 271.360 3.105 20 0 CGADHM COC(C)(C)C[C@@H](C)NC(=O)c1ccc(C(C)C)cc1[O-] ZINC000436587398 292065879 /nfs/dbraw/zinc/06/58/79/292065879.db2.gz DXLJQUATVQIQBP-GFCCVEGCSA-N -1 3 293.407 3.449 20 0 CGADHM C[C@@H](NC(=O)NCc1ccc([O-])c(F)c1)c1ccsc1 ZINC000669887109 543132207 /nfs/dbraw/zinc/13/22/07/543132207.db2.gz HBXUNLYZSUSPFP-SECBINFHSA-N -1 3 294.351 3.153 20 0 CGADHM COC1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000672902853 543229960 /nfs/dbraw/zinc/22/99/60/543229960.db2.gz MBEXDTSLDHTXFV-UHFFFAOYSA-N -1 3 283.755 3.189 20 0 CGADHM Cc1csc(S(=O)(=O)[N-][C@@H](C)c2ccsc2)c1 ZINC000649984532 397765339 /nfs/dbraw/zinc/76/53/39/397765339.db2.gz YECOYNLXWVTBHC-VIFPVBQESA-N -1 3 287.431 3.158 20 0 CGADHM O=S(=O)(CCC1CC1)[N-]c1cc(C(F)F)ccc1F ZINC000650217507 397802430 /nfs/dbraw/zinc/80/24/30/397802430.db2.gz JRXJGOOURLHXAC-UHFFFAOYSA-N -1 3 293.310 3.305 20 0 CGADHM CC[C@@H](C(=O)[O-])N(C)Cc1cc(C(F)(F)F)ccc1F ZINC000650806602 397927460 /nfs/dbraw/zinc/92/74/60/397927460.db2.gz DOCLBZATNDDGAD-NSHDSACASA-N -1 3 293.260 3.140 20 0 CGADHM Cc1cc(C)c2c(c1)N(C(=O)c1cccc(C)c1[O-])CCO2 ZINC000650696335 397896313 /nfs/dbraw/zinc/89/63/13/397896313.db2.gz ZHXHAHXTHJBEHS-UHFFFAOYSA-N -1 3 297.354 3.357 20 0 CGADHM CCc1cc(=O)[n-]c(-c2ccc(N3C[C@H](C)C[C@@H]3C)nc2)n1 ZINC000674931972 543307797 /nfs/dbraw/zinc/30/77/97/543307797.db2.gz BXRXYGGCXNHQJP-NEPJUHHUSA-N -1 3 298.390 3.041 20 0 CGADHM C[C@H](C(=O)Nc1ccc(Cl)cc1[O-])c1ccco1 ZINC000677212088 543440695 /nfs/dbraw/zinc/44/06/95/543440695.db2.gz KKUFQLZKJKWNIW-QMMMGPOBSA-N -1 3 265.696 3.381 20 0 CGADHM Cc1nc([N-]C(=O)c2cnco2)sc1Cc1ccccc1 ZINC000677519597 543453320 /nfs/dbraw/zinc/45/33/20/543453320.db2.gz KUTFTJDZVNUEQC-UHFFFAOYSA-N -1 3 299.355 3.283 20 0 CGADHM CCN(C[C@@H]1CCOC1)C(=O)c1ccc(C(C)C)cc1[O-] ZINC000677873660 543470096 /nfs/dbraw/zinc/47/00/96/543470096.db2.gz RLUHYYPGPMNWRI-ZDUSSCGKSA-N -1 3 291.391 3.014 20 0 CGADHM CSc1ccncc1NC(=O)c1cc(C)ccc1[O-] ZINC000678315484 543514449 /nfs/dbraw/zinc/51/44/49/543514449.db2.gz FMMRXLJSLARPKO-UHFFFAOYSA-N -1 3 274.345 3.070 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2C[C@@H]3CCCC[C@H]3C2)c1 ZINC000078247557 287046058 /nfs/dbraw/zinc/04/60/58/287046058.db2.gz KAUUJAHZPFCCPA-KBPBESRZSA-N -1 3 273.376 3.217 20 0 CGADHM O=C(COc1ccc(Cl)cc1)Nc1ccc([O-])cc1F ZINC000070333082 165060340 /nfs/dbraw/zinc/06/03/40/165060340.db2.gz KCGRHMPTHRBCPS-UHFFFAOYSA-N -1 3 295.697 3.202 20 0 CGADHM Cc1ccc([O-])c(CNc2cccc(Br)c2)n1 ZINC000091993512 165276571 /nfs/dbraw/zinc/27/65/71/165276571.db2.gz KECBIGCIJZBEEY-UHFFFAOYSA-N -1 3 293.164 3.470 20 0 CGADHM COc1ccccc1[C@@H]1CCCN1Cc1nc(C)ccc1[O-] ZINC000093008133 165322116 /nfs/dbraw/zinc/32/21/16/165322116.db2.gz DAMIZCXTTXUHER-INIZCTEOSA-N -1 3 298.386 3.441 20 0 CGADHM O=C([O-])[C@@H](NCc1cccc(C2CC2)c1)c1ccccc1 ZINC000094519630 165353192 /nfs/dbraw/zinc/35/31/92/165353192.db2.gz ASNZJIJIKDSQBO-KRWDZBQOSA-N -1 3 281.355 3.480 20 0 CGADHM Cc1cccc(C(=O)N(C)[C@@H](C)c2cccc(O)c2)c1[O-] ZINC000092602245 287112853 /nfs/dbraw/zinc/11/28/53/287112853.db2.gz WAMCMKOUAOULEN-LBPRGKRZSA-N -1 3 285.343 3.239 20 0 CGADHM CCc1ccc([O-])c(C(=O)N(C)c2ccc(F)cc2)c1 ZINC000094031483 287120965 /nfs/dbraw/zinc/12/09/65/287120965.db2.gz BSRWSYYSHUXRIN-UHFFFAOYSA-N -1 3 273.307 3.370 20 0 CGADHM COc1cccc(-c2nc(Cc3ccccc3)no2)c1[O-] ZINC000109036997 287127264 /nfs/dbraw/zinc/12/72/64/287127264.db2.gz ZFTSYPWACKUZAL-UHFFFAOYSA-N -1 3 282.299 3.042 20 0 CGADHM C[C@H](NC(=O)Cc1ccc([O-])cc1Cl)C1CCCC1 ZINC000178373636 165627954 /nfs/dbraw/zinc/62/79/54/165627954.db2.gz MGSXNMSCKCDUTQ-JTQLQIEISA-N -1 3 281.783 3.283 20 0 CGADHM [O-]c1ccccc1-c1nc(-c2cc(F)cc(F)c2)no1 ZINC000111689638 287136497 /nfs/dbraw/zinc/13/64/97/287136497.db2.gz WWFZKVPPVARMRD-UHFFFAOYSA-N -1 3 274.226 3.387 20 0 CGADHM Cc1ccc([O-])c(C(=O)N(C)[C@@H]2CCc3ccccc3C2)c1 ZINC000114279821 287150342 /nfs/dbraw/zinc/15/03/42/287150342.db2.gz IJPGGCLNNXUCIN-MRXNPFEDSA-N -1 3 295.382 3.330 20 0 CGADHM CCc1cccc(C(=O)N2CCCC[C@H](SC)C2)c1[O-] ZINC000123152325 287216576 /nfs/dbraw/zinc/21/65/76/287216576.db2.gz YRDCHQUKNAOCRK-ZDUSSCGKSA-N -1 3 293.432 3.312 20 0 CGADHM Cc1ccc(C(=O)N2CC[C@@H]3CCCC[C@@H]3C2)c([O-])c1 ZINC000035175084 172028747 /nfs/dbraw/zinc/02/87/47/172028747.db2.gz IWGYXISWBUABDX-UONOGXRCSA-N -1 3 273.376 3.353 20 0 CGADHM CN(Cc1cccs1)Cc1ccccc1C(=O)[O-] ZINC000035717849 172372165 /nfs/dbraw/zinc/37/21/65/172372165.db2.gz BYXJKNOSFKIQKU-UHFFFAOYSA-N -1 3 261.346 3.078 20 0 CGADHM O=C([O-])[C@H](c1ccccc1Br)N1CCCCC1 ZINC000037362116 173151623 /nfs/dbraw/zinc/15/16/23/173151623.db2.gz YYSOEMBWHYIXOD-LBPRGKRZSA-N -1 3 298.180 3.061 20 0 CGADHM O=C(CCOc1cccc(Cl)c1)Nc1ccccc1[O-] ZINC000127490130 287288903 /nfs/dbraw/zinc/28/89/03/287288903.db2.gz MNFPZXKSBLGLLL-UHFFFAOYSA-N -1 3 291.734 3.453 20 0 CGADHM Cc1ccc([O-])c(C(=O)N[C@H](C)c2nc3ccccc3[nH]2)c1 ZINC000127710346 287294695 /nfs/dbraw/zinc/29/46/95/287294695.db2.gz WLXXRQMWGLIZIB-LLVKDONJSA-N -1 3 295.342 3.068 20 0 CGADHM Cc1cc(C(=O)Nc2cccc([O-])c2F)ccc1F ZINC000128835673 287319258 /nfs/dbraw/zinc/31/92/58/287319258.db2.gz JWIAGVJZGLIIAV-UHFFFAOYSA-N -1 3 263.243 3.231 20 0 CGADHM COc1cc(C(=O)Nc2cccc([O-])c2F)ccc1Cl ZINC000129206973 287326556 /nfs/dbraw/zinc/32/65/56/287326556.db2.gz LRYFAIGDBJWNLQ-UHFFFAOYSA-N -1 3 295.697 3.446 20 0 CGADHM CCN(CCC(=O)[O-])Cc1cccc(Cl)c1Cl ZINC000077253463 177242281 /nfs/dbraw/zinc/24/22/81/177242281.db2.gz CKTYFUTVYJLWMI-UHFFFAOYSA-N -1 3 276.163 3.290 20 0 CGADHM [O-]c1cccc(CNCCC2CC2)c1Br ZINC000315085764 416537525 /nfs/dbraw/zinc/53/75/25/416537525.db2.gz UPXAPLHGGGSTKO-UHFFFAOYSA-N -1 3 270.170 3.044 20 0 CGADHM Cc1cscc1C(=O)Nc1cccc([O-])c1F ZINC000129595775 287335416 /nfs/dbraw/zinc/33/54/16/287335416.db2.gz LJWXKVWWDGARQO-UHFFFAOYSA-N -1 3 251.282 3.154 20 0 CGADHM CC[C@@H](NC(=O)c1ccc(C)cc1[O-])c1c(C)noc1C ZINC000129714917 287338166 /nfs/dbraw/zinc/33/81/66/287338166.db2.gz WYAGRPKGTXEKJM-CYBMUJFWSA-N -1 3 288.347 3.187 20 0 CGADHM CC(C)C[C@@H](C)OCCC(=O)Nc1cccc([O-])c1F ZINC000129768728 287338676 /nfs/dbraw/zinc/33/86/76/287338676.db2.gz CJGDQNJPDXPVHZ-LLVKDONJSA-N -1 3 283.343 3.311 20 0 CGADHM C[C@@H]1CC[C@H](CC(=O)Nc2cccc([O-])c2F)C1 ZINC000129770617 287338778 /nfs/dbraw/zinc/33/87/78/287338778.db2.gz AHMCQEBFGDDKEV-ZJUUUORDSA-N -1 3 251.301 3.296 20 0 CGADHM C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)c1ccccc1[O-] ZINC000679531685 543642894 /nfs/dbraw/zinc/64/28/94/543642894.db2.gz YWNAPFKMCAKSNV-NXEZZACHSA-N -1 3 287.281 3.195 20 0 CGADHM Cc1cccc([O-])c1NC(=O)C[C@@H](C)c1ccncc1 ZINC000679319670 543616383 /nfs/dbraw/zinc/61/63/83/543616383.db2.gz UJHZSUUVKMTCKR-GFCCVEGCSA-N -1 3 270.332 3.228 20 0 CGADHM Cc1cccc([O-])c1NC(=O)C1Cc2ccccc2C1 ZINC000334660922 225267049 /nfs/dbraw/zinc/26/70/49/225267049.db2.gz XLKJABVPCITOQP-UHFFFAOYSA-N -1 3 267.328 3.054 20 0 CGADHM O=C(CCOc1cccc(F)c1)Nc1ccc([O-])cc1F ZINC000681337191 543782406 /nfs/dbraw/zinc/78/24/06/543782406.db2.gz FNZKHFHRPKSNHR-UHFFFAOYSA-N -1 3 293.269 3.078 20 0 CGADHM COc1ccc(NC(=O)C[C@H]2CCc3ccccc32)c([O-])c1 ZINC000682388431 543839882 /nfs/dbraw/zinc/83/98/82/543839882.db2.gz WESLYHWRNOROJC-CYBMUJFWSA-N -1 3 297.354 3.459 20 0 CGADHM CCC[C@@H](C)[N-]S(=O)(=O)c1cc(C)c(Cl)s1 ZINC000682723296 543862875 /nfs/dbraw/zinc/86/28/75/543862875.db2.gz XOCDKJMMCDKAPT-MRVPVSSYSA-N -1 3 281.830 3.177 20 0 CGADHM Cc1cccc(C)c1CNCc1cccc(C(=O)[O-])c1 ZINC000683175940 543901646 /nfs/dbraw/zinc/90/16/46/543901646.db2.gz DPDFAILNHBXMOP-UHFFFAOYSA-N -1 3 269.344 3.291 20 0 CGADHM CCc1cccc(C(=O)N2CCc3cccc(C)c3C2)c1[O-] ZINC000683258890 543906814 /nfs/dbraw/zinc/90/68/14/543906814.db2.gz RNUQEDPCBWVMPV-UHFFFAOYSA-N -1 3 295.382 3.462 20 0 CGADHM COc1ccc([O-])c(C(=O)NCCCCc2ccccc2)c1 ZINC000684816292 544031899 /nfs/dbraw/zinc/03/18/99/544031899.db2.gz AUQXGCKHKFYFPR-UHFFFAOYSA-N -1 3 299.370 3.154 20 0 CGADHM C[C@@H](NCc1ncccc1[O-])c1ccccc1Cl ZINC000685429209 544069097 /nfs/dbraw/zinc/06/90/97/544069097.db2.gz DNPGLHNOJMUMBR-SNVBAGLBSA-N -1 3 262.740 3.291 20 0 CGADHM C[C@@H]1C[C@@H]1CC(=O)Nc1ccc(Br)cc1[O-] ZINC000685610295 544088390 /nfs/dbraw/zinc/08/83/90/544088390.db2.gz JFWZDCCETKESPA-HTQZYQBOSA-N -1 3 284.153 3.139 20 0 CGADHM Cc1ccnc(CN(Cc2ccccc2)C[C@H](C)C(=O)[O-])c1 ZINC000652456480 418970071 /nfs/dbraw/zinc/97/00/71/418970071.db2.gz KBAWWNQCJBWAPR-HNNXBMFYSA-N -1 3 298.386 3.113 20 0 CGADHM COc1cc(CN2CCCC[C@@H]2CC(=O)[O-])ccc1Cl ZINC000652463596 418971619 /nfs/dbraw/zinc/97/16/19/418971619.db2.gz MAZIBZFLNVDZSC-GFCCVEGCSA-N -1 3 297.782 3.178 20 0 CGADHM CN(Cc1ncccc1C(=O)[O-])[C@H]1CCCc2ccccc21 ZINC000652377693 418959085 /nfs/dbraw/zinc/95/90/85/418959085.db2.gz NEHCIDNBPNINOP-KRWDZBQOSA-N -1 3 296.370 3.289 20 0 CGADHM CC(C)c1ccc(C(=O)N[C@@H](C)Cc2ccccn2)c([O-])c1 ZINC000655309274 419038580 /nfs/dbraw/zinc/03/85/80/419038580.db2.gz OSMNGPFGEMMUNZ-ZDUSSCGKSA-N -1 3 298.386 3.272 20 0 CGADHM CCO[C@@H](CC)c1noc(-c2cc(-c3ccco3)n[n-]2)n1 ZINC000665031758 419041214 /nfs/dbraw/zinc/04/12/14/419041214.db2.gz ASKNWCGGDWYKBH-NSHDSACASA-N -1 3 288.307 3.207 20 0 CGADHM CCO[C@@H](CC)c1noc(-c2cc(-c3ccco3)[n-]n2)n1 ZINC000665031758 419041219 /nfs/dbraw/zinc/04/12/19/419041219.db2.gz ASKNWCGGDWYKBH-NSHDSACASA-N -1 3 288.307 3.207 20 0 CGADHM O=C(c1cccc2[n-]nnc21)N1CCC[C@H]1CC1CCCC1 ZINC000655363015 419043374 /nfs/dbraw/zinc/04/33/74/419043374.db2.gz JNCHAKCALFBVRH-ZDUSSCGKSA-N -1 3 298.390 3.143 20 0 CGADHM O=C(c1cccc2nn[n-]c21)N1CCC[C@H]1CC1CCCC1 ZINC000655363015 419043376 /nfs/dbraw/zinc/04/33/76/419043376.db2.gz JNCHAKCALFBVRH-ZDUSSCGKSA-N -1 3 298.390 3.143 20 0 CGADHM O=C(c1cccc2n[n-]nc21)N1CCC[C@H]1CC1CCCC1 ZINC000655363015 419043378 /nfs/dbraw/zinc/04/33/78/419043378.db2.gz JNCHAKCALFBVRH-ZDUSSCGKSA-N -1 3 298.390 3.143 20 0 CGADHM CCc1ccc(C(=O)N2CCC23CCCC3)c([O-])c1 ZINC000652569112 418981599 /nfs/dbraw/zinc/98/15/99/418981599.db2.gz DYWDTUPRMZWTNC-UHFFFAOYSA-N -1 3 259.349 3.113 20 0 CGADHM Cc1ccc(C(=O)N2CCC[C@H](OC(C)C)C2)c([O-])c1C ZINC000652748932 418988660 /nfs/dbraw/zinc/98/86/60/418988660.db2.gz DPTISQASGPLQIS-AWEZNQCLSA-N -1 3 291.391 3.039 20 0 CGADHM CC(C)c1ccc(C(=O)N2CCC[C@H](F)C2)c([O-])c1 ZINC000653012913 419010381 /nfs/dbraw/zinc/01/03/81/419010381.db2.gz VJDQXZUCXSWANA-LBPRGKRZSA-N -1 3 265.328 3.090 20 0 CGADHM O=C([O-])[C@@H](CNCc1c(F)cccc1Cl)C1CCC1 ZINC000665363074 419119013 /nfs/dbraw/zinc/11/90/13/419119013.db2.gz RQTCPUQSFBIEEQ-JTQLQIEISA-N -1 3 285.746 3.070 20 0 CGADHM CC(=O)c1ccc(C(=O)NC23CCC(CC2)CC3)cc1[O-] ZINC000665544492 419136139 /nfs/dbraw/zinc/13/61/39/419136139.db2.gz JPQYWVRIKWGHLJ-UHFFFAOYSA-N -1 3 287.359 3.047 20 0 CGADHM O=C([O-])[C@H]1C=C[C@H](NCc2cccc(C3CCCC3)c2)C1 ZINC000656566960 419184405 /nfs/dbraw/zinc/18/44/05/419184405.db2.gz XTFZLNNOGQIBMR-IRXDYDNUSA-N -1 3 285.387 3.463 20 0 CGADHM O=C([O-])[C@@H]1C=C[C@H](NCc2cccc(C3CCCC3)c2)C1 ZINC000656566961 419184840 /nfs/dbraw/zinc/18/48/40/419184840.db2.gz XTFZLNNOGQIBMR-SJORKVTESA-N -1 3 285.387 3.463 20 0 CGADHM CC[C@@H](C)N(CC(=O)[O-])Cc1cccc(OC)c1Cl ZINC000656756937 419209749 /nfs/dbraw/zinc/20/97/49/419209749.db2.gz OWNKWQJMPVKHQJ-SNVBAGLBSA-N -1 3 285.771 3.034 20 0 CGADHM CC(C)c1ccc2c(c1)CN(CCCCC(=O)[O-])CC2 ZINC000656758901 419211592 /nfs/dbraw/zinc/21/15/92/419211592.db2.gz PJHXQYPUIALBGM-UHFFFAOYSA-N -1 3 275.392 3.423 20 0 CGADHM C[C@@H]1CCN(C(=O)c2cc(=O)c3ccccc3[n-]2)[C@H](C)C1 ZINC000265960168 287565502 /nfs/dbraw/zinc/56/55/02/287565502.db2.gz YGZKBDYESJDDTI-VXGBXAGGSA-N -1 3 284.359 3.201 20 0 CGADHM CC[C@@H](NC(=O)c1ccc([O-])c(C)c1)c1nccs1 ZINC000226997869 287636303 /nfs/dbraw/zinc/63/63/03/287636303.db2.gz FRGKHJQFRKRCCP-LLVKDONJSA-N -1 3 276.361 3.038 20 0 CGADHM Cc1cc(C(=O)N2CCC(C(C)C)CC2)ccc1[O-] ZINC000227035066 287636954 /nfs/dbraw/zinc/63/69/54/287636954.db2.gz CVCHPMNBKMITON-UHFFFAOYSA-N -1 3 261.365 3.209 20 0 CGADHM Cc1cc(C(=O)N[C@@H]2CC[C@@H](C)C[C@@H]2C)ccc1[O-] ZINC000227029741 287636958 /nfs/dbraw/zinc/63/69/58/287636958.db2.gz YAQWWQRBLHIEFB-UHIISALHSA-N -1 3 261.365 3.255 20 0 CGADHM Cc1cc(C(=O)Nc2cc(F)c(F)c(F)c2)ccc1[O-] ZINC000227033585 287636962 /nfs/dbraw/zinc/63/69/62/287636962.db2.gz RTOUURSGAGJVRW-UHFFFAOYSA-N -1 3 281.233 3.370 20 0 CGADHM Cc1cc(C(=O)NCC2CCC(C)CC2)ccc1[O-] ZINC000227021761 287636969 /nfs/dbraw/zinc/63/69/69/287636969.db2.gz PNALMDQUFKTHTP-UHFFFAOYSA-N -1 3 261.365 3.257 20 0 CGADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CC[C@H](C)C2)sc1Cl ZINC000231808092 260227768 /nfs/dbraw/zinc/22/77/68/260227768.db2.gz VXJMJZHODZKIGD-IONNQARKSA-N -1 3 293.841 3.177 20 0 CGADHM CCc1ccc(C(=O)N(C)[C@H](C)C(C)(C)C)c([O-])c1 ZINC000526051715 260768037 /nfs/dbraw/zinc/76/80/37/260768037.db2.gz PPNHFISKSHXZRU-LLVKDONJSA-N -1 3 263.381 3.461 20 0 CGADHM CCc1ccc([O-])c(C(=O)NCc2cccc(COC)c2)c1 ZINC000522759010 262338822 /nfs/dbraw/zinc/33/88/22/262338822.db2.gz SKCUMQRTTPXHAD-UHFFFAOYSA-N -1 3 299.370 3.031 20 0 CGADHM CCOc1ccccc1NC([O-])=NOC[C@H](C)CC ZINC000291685967 263124805 /nfs/dbraw/zinc/12/48/05/263124805.db2.gz CXWYMPQMYVTIFG-LLVKDONJSA-N -1 3 266.341 3.185 20 0 CGADHM CCOc1ccccc1NC(=O)[N-]OC[C@H](C)CC ZINC000291685967 263124806 /nfs/dbraw/zinc/12/48/06/263124806.db2.gz CXWYMPQMYVTIFG-LLVKDONJSA-N -1 3 266.341 3.185 20 0 CGADHM CCC(=O)Nc1ccc(NC(=O)[N-]OC[C@@H](C)CC)cc1 ZINC000291685900 263124894 /nfs/dbraw/zinc/12/48/94/263124894.db2.gz CVTYKKGTGCBDTP-NSHDSACASA-N -1 3 293.367 3.134 20 0 CGADHM O=C(N[C@H]1CCSc2ccccc21)c1ccccc1[O-] ZINC000032743802 270027314 /nfs/dbraw/zinc/02/73/14/270027314.db2.gz QIFUEXZOIFHIEF-ZDUSSCGKSA-N -1 3 285.368 3.359 20 0 CGADHM Cc1ccc([O-])c(C(=O)N(C)CC2CCCCC2)c1 ZINC000042340327 270032520 /nfs/dbraw/zinc/03/25/20/270032520.db2.gz SJVWLABPUWCOHP-UHFFFAOYSA-N -1 3 261.365 3.353 20 0 CGADHM Cc1cc([C@@H](C)NC(=O)c2ccccc2[O-])c(C)o1 ZINC000044731474 270037603 /nfs/dbraw/zinc/03/76/03/270037603.db2.gz NESAKLHLFVKPSN-SNVBAGLBSA-N -1 3 259.305 3.093 20 0 CGADHM Cc1ccc([O-])c(C(=O)N(C)CCc2ccccc2)c1 ZINC000045177806 270038006 /nfs/dbraw/zinc/03/80/06/270038006.db2.gz XYBASBPPYKXNEF-UHFFFAOYSA-N -1 3 269.344 3.015 20 0 CGADHM CCCC(C)(C)NC(=O)Cc1ccc([O-])cc1Cl ZINC000182261659 270054202 /nfs/dbraw/zinc/05/42/02/270054202.db2.gz PYOWCDNSLOSPLV-UHFFFAOYSA-N -1 3 269.772 3.283 20 0 CGADHM Cc1cccc([O-])c1NC(=O)c1ccc(F)cc1C ZINC000183025807 270055009 /nfs/dbraw/zinc/05/50/09/270055009.db2.gz FFHINDCVTPZFEO-UHFFFAOYSA-N -1 3 259.280 3.400 20 0 CGADHM CC[C@H](C)Sc1ccc(NC(=O)c2cnn[n-]2)c(C)c1 ZINC000194792729 270083056 /nfs/dbraw/zinc/08/30/56/270083056.db2.gz MGJCMVWXYCTUKY-JTQLQIEISA-N -1 3 290.392 3.256 20 0 CGADHM CC[C@H](C)Sc1ccc(NC(=O)c2c[n-]nn2)c(C)c1 ZINC000194792729 270083057 /nfs/dbraw/zinc/08/30/57/270083057.db2.gz MGJCMVWXYCTUKY-JTQLQIEISA-N -1 3 290.392 3.256 20 0 CGADHM CC[C@H](C)Sc1ccc(NC(=O)c2cn[n-]n2)c(C)c1 ZINC000194792729 270083058 /nfs/dbraw/zinc/08/30/58/270083058.db2.gz MGJCMVWXYCTUKY-JTQLQIEISA-N -1 3 290.392 3.256 20 0 CGADHM COc1cc(Cl)ccc1CN1CCC[C@@H](CC(=O)[O-])C1 ZINC000520349363 265775941 /nfs/dbraw/zinc/77/59/41/265775941.db2.gz HEUHSCDRZYRRGK-NSHDSACASA-N -1 3 297.782 3.035 20 0 CGADHM CC(C)CCC[C@H](C)NC(=O)c1c([O-])cccc1O ZINC000228854981 270088272 /nfs/dbraw/zinc/08/82/72/270088272.db2.gz PVVCEDMBJLZCKV-NSHDSACASA-N -1 3 265.353 3.042 20 0 CGADHM CC1(C)[C@@H](C(F)(F)F)CCN1Cc1occc1C(=O)[O-] ZINC000312828804 270092448 /nfs/dbraw/zinc/09/24/48/270092448.db2.gz JODDMWWNCGKFCJ-JTQLQIEISA-N -1 3 291.269 3.141 20 0 CGADHM [O-]c1cccc(CN2CCCCC2)c1Br ZINC000315941619 270092585 /nfs/dbraw/zinc/09/25/85/270092585.db2.gz TZCFBSZCJKONKX-UHFFFAOYSA-N -1 3 270.170 3.141 20 0 CGADHM CCC[C@@H](CC)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000521667200 270102942 /nfs/dbraw/zinc/10/29/42/270102942.db2.gz MCXIZRKSAXZCTQ-SNVBAGLBSA-N -1 3 293.791 3.336 20 0 CGADHM CCc1ccc([O-])c(C(=O)NCC(C2CC2)C2CC2)c1 ZINC000525261993 270118612 /nfs/dbraw/zinc/11/86/12/270118612.db2.gz QYDJSKNMEUZTML-UHFFFAOYSA-N -1 3 273.376 3.121 20 0 CGADHM Cc1ccc(-c2nc([C@@H]3CC[C@@H](C)O3)no2)c([O-])c1C ZINC000528233835 270158975 /nfs/dbraw/zinc/15/89/75/270158975.db2.gz GQXFAHSRCVKBSZ-SKDRFNHKSA-N -1 3 274.320 3.299 20 0 CGADHM C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000528905576 270175553 /nfs/dbraw/zinc/17/55/53/270175553.db2.gz XFLGBDPHJOSXNO-VXFNFUGZSA-N -1 3 283.755 3.044 20 0 CGADHM Cc1cc(CN2CCc3occc3[C@H]2C(=O)[O-])c(C)s1 ZINC000530166890 270195316 /nfs/dbraw/zinc/19/53/16/270195316.db2.gz SOAISLWTHNPBKG-AWEZNQCLSA-N -1 3 291.372 3.142 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)[C@@H]2CC=CCC2)c1-c1ccc(C)cc1 ZINC000530272456 270198222 /nfs/dbraw/zinc/19/82/22/270198222.db2.gz QMWRDZAGVPPWTR-OAHLLOKOSA-N -1 3 295.386 3.410 20 0 CGADHM Cc1cnc([N-]C(=O)c2cc(-c3cccc(F)c3)no2)o1 ZINC000531253626 270205510 /nfs/dbraw/zinc/20/55/10/270205510.db2.gz NWBZOZYABFJYGC-UHFFFAOYSA-N -1 3 287.250 3.029 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2cccc(OCCF)c2)c1 ZINC000531594135 270207534 /nfs/dbraw/zinc/20/75/34/270207534.db2.gz JIJPXCBTDHDPLI-UHFFFAOYSA-N -1 3 289.306 3.301 20 0 CGADHM CCc1ccc([O-])c(C(=O)N[C@H]2CCCC(F)(F)C2)c1 ZINC000532271550 270214808 /nfs/dbraw/zinc/21/48/08/270214808.db2.gz XQHXVNRJRGJBGV-NSHDSACASA-N -1 3 283.318 3.262 20 0 CGADHM Cc1ccc([N-]C(=O)c2cc(-c3ccccn3)no2)c(F)c1 ZINC000351911265 274753634 /nfs/dbraw/zinc/75/36/34/274753634.db2.gz WPQAQDDGBHEPCM-UHFFFAOYSA-N -1 3 297.289 3.436 20 0 CGADHM CC1(C)C[C@H](NC(=O)c2cc([O-])ccc2Cl)C(C)(C)O1 ZINC000278478078 275866616 /nfs/dbraw/zinc/86/66/16/275866616.db2.gz XJVBWLYCSREJBU-LBPRGKRZSA-N -1 3 297.782 3.122 20 0 CGADHM CCCC(O)(CCC)CNC(=O)c1cc([O-])ccc1Cl ZINC000277700726 287898860 /nfs/dbraw/zinc/89/88/60/287898860.db2.gz OGCQWOMHUHDAEU-UHFFFAOYSA-N -1 3 299.798 3.107 20 0 CGADHM CC(C)c1ccc(C(=O)N2CCS[C@H](C)CC2)c([O-])c1 ZINC000277367159 278026428 /nfs/dbraw/zinc/02/64/28/278026428.db2.gz BMYJBRPYFFOEPF-GFCCVEGCSA-N -1 3 293.432 3.483 20 0 CGADHM C[C@H]1CCN(C(=O)c2cc(F)c[nH]2)c2c([O-])cccc21 ZINC000293459628 278362075 /nfs/dbraw/zinc/36/20/75/278362075.db2.gz JUVVAHXPZSLUQD-VIFPVBQESA-N -1 3 274.295 3.013 20 0 CGADHM C[C@@H]1C[C@H]1CC(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000487199810 279006565 /nfs/dbraw/zinc/00/65/65/279006565.db2.gz NPMHDZLSVHFJCI-UTUOFQBUSA-N -1 3 259.349 3.279 20 0 CGADHM O=C([N-]c1cccc(Cl)c1F)c1ncc(F)cc1F ZINC000192072387 335089404 /nfs/dbraw/zinc/08/94/04/335089404.db2.gz QQZIWDGBDFNAJZ-UHFFFAOYSA-N -1 3 286.640 3.405 20 0 CGADHM Cc1ccc([O-])c(C(=O)N(C)[C@@H]2CCC(C)(C)C2)c1 ZINC000478198605 288108169 /nfs/dbraw/zinc/10/81/69/288108169.db2.gz XUBLYDSTQCTCGD-GFCCVEGCSA-N -1 3 261.365 3.351 20 0 CGADHM Cc1ncc(CN[C@@H]2CC[C@@H](C)c3ccsc32)c(=O)[n-]1 ZINC000519319241 288134151 /nfs/dbraw/zinc/13/41/51/288134151.db2.gz FPSSEQZOFAHNEE-NOZJJQNGSA-N -1 3 289.404 3.280 20 0 CGADHM C[C@H]1CC(F)(F)CCN1C(=O)c1cc([O-])ccc1Cl ZINC000530008949 288283612 /nfs/dbraw/zinc/28/36/12/288283612.db2.gz MEVFEOPWFQGJGR-QMMMGPOBSA-N -1 3 289.709 3.305 20 0 CGADHM Cc1ccc2c(CN3CCO[C@H]4CCC[C@H]43)ccc([O-])c2n1 ZINC000338236751 281045934 /nfs/dbraw/zinc/04/59/34/281045934.db2.gz RAHDRHXIHRFMEH-WBVHZDCISA-N -1 3 298.386 3.002 20 0 CGADHM C[C@@H]1CC(C(=O)[O-])C[C@@H](C)N1Cc1cccc(Cl)c1 ZINC000530177023 288294835 /nfs/dbraw/zinc/29/48/35/288294835.db2.gz WCOIPMJYGWGIGY-GHMZBOCLSA-N -1 3 281.783 3.414 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CC(C)(C)[C@@H]2C2CC2)c1 ZINC000427250183 281407851 /nfs/dbraw/zinc/40/78/51/281407851.db2.gz NTCJZIJWMKHDHJ-HNNXBMFYSA-N -1 3 273.376 3.215 20 0 CGADHM CC[C@](C)([N-]C(=O)[C@@H](C)C(F)(F)F)C(F)(F)F ZINC000531093669 288329001 /nfs/dbraw/zinc/32/90/01/288329001.db2.gz UNTXUJBMMUBHDZ-VDTYLAMSSA-N -1 3 265.197 3.032 20 0 CGADHM CCc1cccc(C(=O)N2CCC[C@H]2c2cccnc2)c1[O-] ZINC000538746879 288587334 /nfs/dbraw/zinc/58/73/34/288587334.db2.gz KLVZBPJRTUZQJH-INIZCTEOSA-N -1 3 296.370 3.327 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2cccc3[nH]cnc32)c1 ZINC000538760049 288588458 /nfs/dbraw/zinc/58/84/58/288588458.db2.gz NSXAHCTVVZGYJQ-UHFFFAOYSA-N -1 3 281.315 3.083 20 0 CGADHM Cc1cc(C(=O)NCc2ccc([C@H]3C[C@H]3C)o2)ccc1[O-] ZINC000540926529 288677437 /nfs/dbraw/zinc/67/74/37/288677437.db2.gz PYSCHAMMPFPJSV-YGRLFVJLSA-N -1 3 285.343 3.347 20 0 CGADHM Cc1ccc([C@@H](NC(=O)c2csc(=O)[n-]2)C2CC2)cc1 ZINC000546723477 288937577 /nfs/dbraw/zinc/93/75/77/288937577.db2.gz UNSLWPROPYMDGG-CYBMUJFWSA-N -1 3 288.372 3.038 20 0 CGADHM O=C(NC/C=C\c1ccccc1)c1cc([O-])ccc1Cl ZINC000550647882 289080258 /nfs/dbraw/zinc/08/02/58/289080258.db2.gz VBHGWCDIFGUKPQ-DAXSKMNVSA-N -1 3 287.746 3.489 20 0 CGADHM CC(C)N(Cc1ccccn1)Cc1c(F)ccc([O-])c1F ZINC000552030164 289151214 /nfs/dbraw/zinc/15/12/14/289151214.db2.gz YXURFYDTUMZJNG-UHFFFAOYSA-N -1 3 292.329 3.476 20 0 CGADHM Cc1ccc(CC(=O)Nc2c([O-])cccc2Cl)cc1O ZINC000552432436 289188855 /nfs/dbraw/zinc/18/88/55/289188855.db2.gz KKDHPCVWYGUNTL-UHFFFAOYSA-N -1 3 291.734 3.241 20 0 CGADHM CC(C)n1cc(C=Cc2cc(=O)[n-]c(C3CC3)n2)cn1 ZINC000554391860 289280839 /nfs/dbraw/zinc/28/08/39/289280839.db2.gz SHCIHJMSIUQEHI-ZZXKWVIFSA-N -1 3 270.336 3.007 20 0 CGADHM COc1cccc(-c2nc(-c3ccc(O)c(C)c3)no2)c1[O-] ZINC000556014693 289367349 /nfs/dbraw/zinc/36/73/49/289367349.db2.gz OETBDOLNPQHMER-UHFFFAOYSA-N -1 3 298.298 3.132 20 0 CGADHM C[C@H]1CCC[C@H](C)N1C(=O)c1cc([O-])ccc1Cl ZINC000235568013 299892210 /nfs/dbraw/zinc/89/22/10/299892210.db2.gz XXYBIPMJHGJTAV-UWVGGRQHSA-N -1 3 267.756 3.449 20 0 CGADHM COc1cccc(C(=O)N(C(C)C)C2CC(C)(C)C2)c1[O-] ZINC000457068274 295282865 /nfs/dbraw/zinc/28/28/65/295282865.db2.gz GGTBEBPTZAQXKV-UHFFFAOYSA-N -1 3 291.391 3.440 20 0 CGADHM Cc1cc(C(=O)N2CCC[C@@H]3CCCC[C@H]32)ccc1[O-] ZINC000227015152 301096674 /nfs/dbraw/zinc/09/66/74/301096674.db2.gz ODZBHNASPXAESZ-DZGCQCFKSA-N -1 3 273.376 3.495 20 0 CGADHM Cc1ccc(C(=O)N2CCSC3(CCC3)CC2)c([O-])c1 ZINC000335196021 301512652 /nfs/dbraw/zinc/51/26/52/301512652.db2.gz HNOAEIWETLRPQI-UHFFFAOYSA-N -1 3 291.416 3.202 20 0 CGADHM Cc1ccc(/C=C\CC(=O)Nc2ncccc2[O-])cc1 ZINC000341903097 327705883 /nfs/dbraw/zinc/70/58/83/327705883.db2.gz QITZAQOQVVBZLG-RQOWECAXSA-N -1 3 268.316 3.138 20 0 CGADHM O=C(/C=C/c1nc2ccccc2o1)Nc1ccccc1[O-] ZINC000153921575 321730436 /nfs/dbraw/zinc/73/04/36/321730436.db2.gz UEJYLJCJNHFXAN-MDZDMXLPSA-N -1 3 280.283 3.185 20 0 CGADHM CSCCCCC(=O)Nc1ccc(C)cc1[O-] ZINC000154887290 321752962 /nfs/dbraw/zinc/75/29/62/321752962.db2.gz HOEPVMPXGDLVBM-UHFFFAOYSA-N -1 3 253.367 3.172 20 0 CGADHM Cc1ccc(Cl)cc1NC(=O)/C=C\c1cncc([O-])c1 ZINC000263639515 321950839 /nfs/dbraw/zinc/95/08/39/321950839.db2.gz RDJBEEKDHFLVMT-HYXAFXHYSA-N -1 3 288.734 3.401 20 0 CGADHM CCC(C)(C)[C@H](NCc1ccc(Cl)cc1F)C(=O)[O-] ZINC000563147028 321979843 /nfs/dbraw/zinc/97/98/43/321979843.db2.gz MDYLFBRGDFGVOY-GFCCVEGCSA-N -1 3 287.762 3.458 20 0 CGADHM Cc1cc(C)c(CN[C@@H](CC(=O)[O-])c2ccncc2)cc1C ZINC000563434199 321997729 /nfs/dbraw/zinc/99/77/29/321997729.db2.gz ZTHBQIOVLVBTJF-KRWDZBQOSA-N -1 3 298.386 3.312 20 0 CGADHM C[C@H]1C[C@]1(NCc1ncccc1[O-])c1ccc(Cl)cc1 ZINC000564004937 322017868 /nfs/dbraw/zinc/01/78/68/322017868.db2.gz MLTPMWSWROLDOB-MEDUHNTESA-N -1 3 288.778 3.466 20 0 CGADHM C[C@H]1C[C@H](C(C)(C)C)CCN1C(=O)Cc1cncc([O-])c1 ZINC000564738180 322040866 /nfs/dbraw/zinc/04/08/66/322040866.db2.gz ZMLFAFLQQAPDJG-GXTWGEPZSA-N -1 3 290.407 3.003 20 0 CGADHM C[C@@H]1CN(Cc2cc(Cl)ccc2F)C[C@]1(C)C(=O)[O-] ZINC000565112547 322061532 /nfs/dbraw/zinc/06/15/32/322061532.db2.gz MWQOULBQUNQWFL-OTYXRUKQSA-N -1 3 285.746 3.022 20 0 CGADHM CC[C@H](c1ccccc1)N(CC(=O)[O-])Cc1cncc(C)c1 ZINC000565256071 322070773 /nfs/dbraw/zinc/07/07/73/322070773.db2.gz ZQLHNZDREGJIIN-QGZVFWFLSA-N -1 3 298.386 3.428 20 0 CGADHM C[C@@H](c1ccc(Cl)cc1)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000566219613 322109780 /nfs/dbraw/zinc/10/97/80/322109780.db2.gz GBXDZYDCFIIUAY-SUNKGSAMSA-N -1 3 281.783 3.444 20 0 CGADHM CCN(Cc1occc1C(=O)[O-])[C@@H](C)Cc1ccsc1 ZINC000566360810 322118465 /nfs/dbraw/zinc/11/84/65/322118465.db2.gz ASSDZPQESBQACI-NSHDSACASA-N -1 3 293.388 3.492 20 0 CGADHM Cc1oc([C@H](C)N2CC[C@]3(C)[C@H](C2)C3(F)F)cc1C(=O)[O-] ZINC000568290985 322204213 /nfs/dbraw/zinc/20/42/13/322204213.db2.gz XLZAALKJKXQOLF-ORUWWINDSA-N -1 3 299.317 3.324 20 0 CGADHM C[C@@H](NC(=O)c1csc(=O)[n-]1)c1cccc(C2CC2)c1 ZINC000568593837 322214771 /nfs/dbraw/zinc/21/47/71/322214771.db2.gz WCGXOJRBLUONDV-SECBINFHSA-N -1 3 288.372 3.217 20 0 CGADHM C[C@H](c1ccccc1Cl)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000568749842 322220908 /nfs/dbraw/zinc/22/09/08/322220908.db2.gz WVUQCPKVSYKHRY-WZRBSPASSA-N -1 3 281.783 3.444 20 0 CGADHM COc1ccc(SCc2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC000569081081 322233819 /nfs/dbraw/zinc/23/38/19/322233819.db2.gz GEMAMXRUAODNEV-UHFFFAOYSA-N -1 3 288.372 3.361 20 0 CGADHM CCOc1cccc([C@@H](C)NCc2ncccc2[O-])c1 ZINC000569171782 322237492 /nfs/dbraw/zinc/23/74/92/322237492.db2.gz KXHJKCXAEGNRCR-GFCCVEGCSA-N -1 3 272.348 3.037 20 0 CGADHM Cc1ccc([O-])c(C(=O)NCc2cc3ccccc3[nH]2)c1 ZINC000569693701 322254489 /nfs/dbraw/zinc/25/44/89/322254489.db2.gz INEKAFADNPTXTE-UHFFFAOYSA-N -1 3 280.327 3.112 20 0 CGADHM CCCc1cc(C(=O)[N-]c2nc(C(C)(C)C)co2)no1 ZINC000570172924 322267038 /nfs/dbraw/zinc/26/70/38/322267038.db2.gz BBNNQXFBHVJJQX-UHFFFAOYSA-N -1 3 277.324 3.165 20 0 CGADHM C[C@H](NCc1ncccc1[O-])c1ccccc1Cl ZINC000571541235 322301393 /nfs/dbraw/zinc/30/13/93/322301393.db2.gz DNPGLHNOJMUMBR-JTQLQIEISA-N -1 3 262.740 3.291 20 0 CGADHM Cc1ccc2c(c1)CN([C@@H](C(=O)[O-])c1ccccc1)CCO2 ZINC000571658542 322304424 /nfs/dbraw/zinc/30/44/24/322304424.db2.gz LPYVPZADVXOQGN-QGZVFWFLSA-N -1 3 297.354 3.015 20 0 CGADHM Cc1ccc2c(CSc3nccn3C)ccc([O-])c2n1 ZINC000573059987 322368282 /nfs/dbraw/zinc/36/82/82/322368282.db2.gz OTISHUKRMBBTTC-UHFFFAOYSA-N -1 3 285.372 3.275 20 0 CGADHM Cc1ccccc1[C@@H](C)N(C)Cc1ccoc1C(=O)[O-] ZINC000573259132 322378619 /nfs/dbraw/zinc/37/86/19/322378619.db2.gz JCUZWWCDOCUFIK-GFCCVEGCSA-N -1 3 273.332 3.479 20 0 CGADHM [O-]c1cccnc1CN1CCC[C@H]1/C=C\c1ccccc1 ZINC000573366138 322384465 /nfs/dbraw/zinc/38/44/65/322384465.db2.gz FSLBPPYQAMAHQN-SNGWPZLWSA-N -1 3 280.371 3.465 20 0 CGADHM CCO[C@@H](CC)C(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000584278766 327210982 /nfs/dbraw/zinc/21/09/82/327210982.db2.gz RUZZSLNTYRSUQY-RISCZKNCSA-N -1 3 277.364 3.048 20 0 CGADHM Cc1ccc(-c2nc(=O)c3c4c(sc3[n-]2)CCCC4)nn1 ZINC000582774419 329165144 /nfs/dbraw/zinc/16/51/44/329165144.db2.gz XBXIIQHBYZWJNY-UHFFFAOYSA-N -1 3 298.371 3.041 20 0 CGADHM C[C@H]1CCCN1[C@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000583029686 329304982 /nfs/dbraw/zinc/30/49/82/329304982.db2.gz AOTRPTBIRFKXAF-UFBFGSQYSA-N -1 3 271.719 3.089 20 0 CGADHM CCc1ccsc1C(=O)Nc1cc(F)ccc1[O-] ZINC000174900714 335169240 /nfs/dbraw/zinc/16/92/40/335169240.db2.gz DXRLOTWUCSBHOH-UHFFFAOYSA-N -1 3 265.309 3.408 20 0 CGADHM [O-]c1cccnc1CN(Cc1ccc(F)cc1F)C1CC1 ZINC000576504134 335212156 /nfs/dbraw/zinc/21/21/56/335212156.db2.gz UYSRTOMBZUPGJA-UHFFFAOYSA-N -1 3 290.313 3.230 20 0 CGADHM CCc1cccc(C(=O)N[C@H](C)c2cccc(O)c2)c1[O-] ZINC000576652587 335231346 /nfs/dbraw/zinc/23/13/46/335231346.db2.gz IWKSMLQIJSKOAT-LLVKDONJSA-N -1 3 285.343 3.151 20 0 CGADHM CCN(CCc1ccccc1)[C@H](C)c1nc(C)cc(=O)[n-]1 ZINC000192545916 335276529 /nfs/dbraw/zinc/27/65/29/335276529.db2.gz VFTLQVZTHVAGGB-CQSZACIVSA-N -1 3 285.391 3.116 20 0 CGADHM O=C(Nc1cc(Br)ccc1[O-])c1ccco1 ZINC000176438376 335278535 /nfs/dbraw/zinc/27/85/35/335278535.db2.gz DLRKJMLVWHJUOP-UHFFFAOYSA-N -1 3 282.093 3.000 20 0 CGADHM CN(Cc1ccc(C(=O)[O-])cc1)CC1=CCCCC1 ZINC000577618740 335379454 /nfs/dbraw/zinc/37/94/54/335379454.db2.gz RRWUKQLWHZDCLT-UHFFFAOYSA-N -1 3 259.349 3.317 20 0 CGADHM Cc1scc(C(=O)Nc2cccc([O-])c2F)c1C ZINC000180517765 335602230 /nfs/dbraw/zinc/60/22/30/335602230.db2.gz LKRCRBHRWAWWTK-UHFFFAOYSA-N -1 3 265.309 3.462 20 0 CGADHM Cc1ccc2ncc(C(=O)[O-])c(N3CCC[C@@H]3CF)c2c1 ZINC000579112621 335710762 /nfs/dbraw/zinc/71/07/62/335710762.db2.gz IJEUPELRVWDOQH-LLVKDONJSA-N -1 3 288.322 3.180 20 0 CGADHM CCCN(Cc1ccc(C(=O)[O-])o1)Cc1ccccc1 ZINC000383763689 336117638 /nfs/dbraw/zinc/11/76/38/336117638.db2.gz ICLBNGNEMCJGIZ-UHFFFAOYSA-N -1 3 273.332 3.390 20 0 CGADHM CCO[N-]C(=O)Nc1cccc(OCCC(C)C)c1 ZINC000183969836 520236734 /nfs/dbraw/zinc/23/67/34/520236734.db2.gz BKZJKSIFCSMCGW-UHFFFAOYSA-N -1 3 266.341 3.185 20 0 CGADHM Cc1ccc(CNCc2ccc(C(=O)[O-])cc2)cc1F ZINC000426694707 534070134 /nfs/dbraw/zinc/07/01/34/534070134.db2.gz KBCLUTHZOVJAME-UHFFFAOYSA-N -1 3 273.307 3.122 20 0 CGADHM C[C@@H]1CC[C@@](CNCc2c(F)cccc2F)(CC(=O)[O-])C1 ZINC000426628589 534203351 /nfs/dbraw/zinc/20/33/51/534203351.db2.gz NGHBUNGHXJNZPD-BZNIZROVSA-N -1 3 297.345 3.336 20 0 CGADHM Cc1ccc(C(=O)NCC(C)(C)c2cccnc2)c([O-])c1C ZINC000412888403 534264695 /nfs/dbraw/zinc/26/46/95/534264695.db2.gz XAVHTNHGWXTAQG-UHFFFAOYSA-N -1 3 298.386 3.112 20 0 CGADHM O=C(Nc1ccccc1[O-])[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000175085549 534399577 /nfs/dbraw/zinc/39/95/77/534399577.db2.gz HRNLKSMZJBSTBA-ZYHUDNBSSA-N -1 3 289.281 3.413 20 0 CGADHM [O-]c1ccc(-c2noc(/C=C\c3cccnc3)n2)cc1 ZINC000436886668 534451589 /nfs/dbraw/zinc/45/15/89/534451589.db2.gz HXILNUFDTGHABI-BAQGIRSFSA-N -1 3 265.272 3.008 20 0 CGADHM O=C([O-])CC1(CNCc2ccsc2Cl)CCC1 ZINC000426635858 534486923 /nfs/dbraw/zinc/48/69/23/534486923.db2.gz XUHXCMQYKLDJBU-UHFFFAOYSA-N -1 3 273.785 3.136 20 0 CGADHM CCCCc1nc(C[S@](=O)c2cccc([O-])c2)cs1 ZINC000184074621 521308748 /nfs/dbraw/zinc/30/87/48/521308748.db2.gz UDKZUJBROPWODJ-IBGZPJMESA-N -1 3 295.429 3.499 20 0 CGADHM COC[C@H]([N-]c1noc(-c2ccccc2)n1)c1ccc(C)o1 ZINC000157833121 522769905 /nfs/dbraw/zinc/76/99/05/522769905.db2.gz MADBRSSUTONFQN-ZDUSSCGKSA-N -1 3 299.330 3.438 20 0 CGADHM O=C(NCc1ccc2sccc2c1)c1c([O-])cccc1O ZINC000436930705 534666031 /nfs/dbraw/zinc/66/60/31/534666031.db2.gz YAMITXFTLMNSQT-UHFFFAOYSA-N -1 3 299.351 3.243 20 0 CGADHM Cc1csc(-c2noc(-c3ccc(C)c(C)c3[O-])n2)n1 ZINC000436925202 534765673 /nfs/dbraw/zinc/76/56/73/534765673.db2.gz JIMYUIPRAWGPHM-UHFFFAOYSA-N -1 3 287.344 3.491 20 0 CGADHM Cc1ccc(NC(=O)c2n[n-]nc2-c2ccccc2)cc1C ZINC000188818993 525259264 /nfs/dbraw/zinc/25/92/64/525259264.db2.gz XGVGNBQWEWZHDB-UHFFFAOYSA-N -1 3 292.342 3.341 20 0 CGADHM Cc1noc(-c2cc(OCc3ccccc3)ccc2[O-])n1 ZINC000436886071 534875154 /nfs/dbraw/zinc/87/51/54/534875154.db2.gz JYSRHQGZCHAELP-UHFFFAOYSA-N -1 3 282.299 3.330 20 0 CGADHM Cc1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2C)c([O-])c1 ZINC000055482065 526067474 /nfs/dbraw/zinc/06/74/74/526067474.db2.gz KUMGTIKSWKOLSB-OCCSQVGLSA-N -1 3 261.365 3.351 20 0 CGADHM C[C@H](c1ccccc1Cl)N(CCC(=O)[O-])C1CC1 ZINC000083663385 526112299 /nfs/dbraw/zinc/11/22/99/526112299.db2.gz VFDNKCOWSITHOI-SNVBAGLBSA-N -1 3 267.756 3.340 20 0 CGADHM CSc1ccccc1[N-]C(=O)c1cscn1 ZINC000062659587 526177038 /nfs/dbraw/zinc/17/70/38/526177038.db2.gz OLQUYDKRTFMBAV-UHFFFAOYSA-N -1 3 250.348 3.117 20 0 CGADHM C=Cc1ccc(CCNC(=O)c2ccccc2[O-])cc1 ZINC000436640289 526273054 /nfs/dbraw/zinc/27/30/54/526273054.db2.gz ORKOENQPKVPGIC-UHFFFAOYSA-N -1 3 267.328 3.008 20 0 CGADHM CC(C)(C)[C@@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC000436921816 526653282 /nfs/dbraw/zinc/65/32/82/526653282.db2.gz XFYRPGYZOGDJEN-GFCCVEGCSA-N -1 3 261.365 3.291 20 0 CGADHM CC(C)(C)c1n[nH]cc1C=Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000414067291 526849988 /nfs/dbraw/zinc/84/99/88/526849988.db2.gz HXPAKACDYVKUOY-SREVYHEPSA-N -1 3 284.363 3.251 20 0 CGADHM CC(C)(CCNCc1nc2ccc(F)cc2s1)C(=O)[O-] ZINC000424409483 527047474 /nfs/dbraw/zinc/04/74/74/527047474.db2.gz GQOKPDRRJIHAPA-UHFFFAOYSA-N -1 3 296.367 3.026 20 0 CGADHM CC(=O)c1[n-]c(=N[C@@H](C)CCc2ccco2)sc1C ZINC000450222823 527155491 /nfs/dbraw/zinc/15/54/91/527155491.db2.gz GUJCUHPHRLEALZ-VIFPVBQESA-N -1 3 278.377 3.102 20 0 CGADHM CC(=O)c1c(C)oc2ncnc([N-]c3nc(C)cs3)c21 ZINC000178861351 527174605 /nfs/dbraw/zinc/17/46/05/527174605.db2.gz DRNSQHRLQFWOFA-UHFFFAOYSA-N -1 3 288.332 3.242 20 0 CGADHM CC(=O)c1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1[O-] ZINC000436845667 527260907 /nfs/dbraw/zinc/26/09/07/527260907.db2.gz FCBPZKTVKFIKHY-NSHDSACASA-N -1 3 283.327 3.086 20 0 CGADHM CC(=O)c1ccc(C(=O)N[C@H](C)c2ccccc2C)cc1[O-] ZINC000436852117 527264154 /nfs/dbraw/zinc/26/41/54/527264154.db2.gz NVHFYGANGHXSDY-GFCCVEGCSA-N -1 3 297.354 3.394 20 0 CGADHM CC(=O)c1ccc(C(=O)N[C@H]2C[C@H](C)C[C@H](C)C2)cc1[O-] ZINC000412126428 527265151 /nfs/dbraw/zinc/26/51/51/527265151.db2.gz PNROWBLJIFRHMS-YABSGUDNSA-N -1 3 289.375 3.149 20 0 CGADHM O=[S@@](Cc1ccc(Cl)cc1)c1ccc([O-])cc1 ZINC000108087039 527421409 /nfs/dbraw/zinc/42/14/09/527421409.db2.gz QKFUWKQJCLQMAT-QGZVFWFLSA-N -1 3 266.749 3.353 20 0 CGADHM CCC1([N-]S(=O)(=O)c2cccc(Cl)c2F)CCC1 ZINC000358881903 527804253 /nfs/dbraw/zinc/80/42/53/527804253.db2.gz KXSFCZUFCOJDKE-UHFFFAOYSA-N -1 3 291.775 3.090 20 0 CGADHM CCC1(c2noc(-c3ccc(C(=O)OC)[n-]3)n2)CCCC1 ZINC000426611046 527819568 /nfs/dbraw/zinc/81/95/68/527819568.db2.gz HOONLQADECOQJQ-UHFFFAOYSA-N -1 3 289.335 3.073 20 0 CGADHM CC1(C2CC2)CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436609731 527905372 /nfs/dbraw/zinc/90/53/72/527905372.db2.gz SEKJSUQKIQUNJY-UHFFFAOYSA-N -1 3 259.349 3.045 20 0 CGADHM CC1CCC(NCc2csc(C3CC3)n2)(C(=O)[O-])CC1 ZINC000417533033 528200589 /nfs/dbraw/zinc/20/05/89/528200589.db2.gz LYSRFRUOWWBTTO-UHFFFAOYSA-N -1 3 294.420 3.144 20 0 CGADHM CCOc1cc(F)ccc1NC(=O)c1ccc([O-])c(C)c1 ZINC000436926037 528307003 /nfs/dbraw/zinc/30/70/03/528307003.db2.gz LHMZPKTVBGEDJH-UHFFFAOYSA-N -1 3 289.306 3.491 20 0 CGADHM CCC(C)(C)NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436757646 528561808 /nfs/dbraw/zinc/56/18/08/528561808.db2.gz VXUPHJOULNNJAN-UHFFFAOYSA-N -1 3 277.364 3.024 20 0 CGADHM CCCCOc1ccc(C(=O)NCC[C@H](C)F)c([O-])c1 ZINC000436545223 528663910 /nfs/dbraw/zinc/66/39/10/528663910.db2.gz MXLCEMJEKHYSOG-NSHDSACASA-N -1 3 283.343 3.049 20 0 CGADHM CCCCOc1ccc(C(=O)NCc2ccoc2)c([O-])c1 ZINC000436978964 528665057 /nfs/dbraw/zinc/66/50/57/528665057.db2.gz JXRKBWDSJWIBSX-UHFFFAOYSA-N -1 3 289.331 3.094 20 0 CGADHM CCCC[C@@H](CC)C(=O)NCc1ccc([O-])c(F)c1 ZINC000427960550 528768965 /nfs/dbraw/zinc/76/89/65/528768965.db2.gz VAWSGVUFRJWGKV-GFCCVEGCSA-N -1 3 267.344 3.364 20 0 CGADHM CCC(CC)c1cc(C(=O)[N-]c2onc(C)c2C)on1 ZINC000358331862 528876406 /nfs/dbraw/zinc/87/64/06/528876406.db2.gz BHLZQMIOOLIQHX-UHFFFAOYSA-N -1 3 277.324 3.435 20 0 CGADHM CC(C)[C@H](C(=O)[O-])[C@@H](C)NCc1c(F)cccc1Cl ZINC000424608209 528931061 /nfs/dbraw/zinc/93/10/61/528931061.db2.gz AFEYCAJBPWPZKV-RNCFNFMXSA-N -1 3 287.762 3.314 20 0 CGADHM CCN(C(=O)c1cc(OC)ccc1[O-])[C@@H]1CCCC[C@@H]1C ZINC000171241409 529075612 /nfs/dbraw/zinc/07/56/12/529075612.db2.gz UUEUYSVMSIAURP-SWLSCSKDSA-N -1 3 291.391 3.442 20 0 CGADHM CCN(C(=O)c1ccc(C)cc1[O-])c1cccc(OC)c1 ZINC000436763241 529081494 /nfs/dbraw/zinc/08/14/94/529081494.db2.gz WFBISOBAFWUKQE-UHFFFAOYSA-N -1 3 285.343 3.376 20 0 CGADHM CCN(C(=O)c1ccc([O-])c(C)c1)C1CC(C)(C)C1 ZINC000413993451 529084191 /nfs/dbraw/zinc/08/41/91/529084191.db2.gz ZPNZCGQBTOZKJX-UHFFFAOYSA-N -1 3 261.365 3.351 20 0 CGADHM CCCCn1ncc(-c2nc(-c3ccc([O-])cc3)no2)c1C ZINC000436535238 529088612 /nfs/dbraw/zinc/08/86/12/529088612.db2.gz REFLCPANZWASGS-UHFFFAOYSA-N -1 3 298.346 3.414 20 0 CGADHM CCN(C(=O)c1cccc(OC)c1[O-])C1CC(C)(C)C1 ZINC000412838063 529090350 /nfs/dbraw/zinc/09/03/50/529090350.db2.gz IYEIYQFCPFOCAZ-UHFFFAOYSA-N -1 3 277.364 3.052 20 0 CGADHM CC[C@@H](SC)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000270137402 529252284 /nfs/dbraw/zinc/25/22/84/529252284.db2.gz STLXXQKPTGSPEI-SNVBAGLBSA-N -1 3 259.758 3.126 20 0 CGADHM CC[C@@H]([N-]S(=O)(=O)c1cccc2ccccc21)C(F)F ZINC000451081956 535807466 /nfs/dbraw/zinc/80/74/66/535807466.db2.gz NHUXHVBLUCWINF-GFCCVEGCSA-N -1 3 299.342 3.162 20 0 CGADHM CCc1cccc(CC(=O)Nc2ccc([O-])cc2F)c1 ZINC000124578922 535876556 /nfs/dbraw/zinc/87/65/56/535876556.db2.gz BLAAGSYNTUGTND-UHFFFAOYSA-N -1 3 273.307 3.275 20 0 CGADHM CCc1cc(C(=O)N2C[C@H](C3CC3)[C@@H]2C2CC2)ccc1[O-] ZINC000456257186 536117672 /nfs/dbraw/zinc/11/76/72/536117672.db2.gz QIIPBFQGUOFKKZ-WBVHZDCISA-N -1 3 285.387 3.215 20 0 CGADHM COc1ccc([O-])c(C(=O)N2CCC[C@@H](C(C)(C)C)C2)c1 ZINC000478456237 536816385 /nfs/dbraw/zinc/81/63/85/536816385.db2.gz BVQYPDKSUXMZAH-GFCCVEGCSA-N -1 3 291.391 3.299 20 0 CGADHM COc1cccc(C(=O)NCC(C)(C)C(C)(C)C)c1[O-] ZINC000313522001 537084793 /nfs/dbraw/zinc/08/47/93/537084793.db2.gz LXEVPQHJMDKFMR-UHFFFAOYSA-N -1 3 279.380 3.203 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)Cc2ccco2)c1[O-] ZINC000335933170 571776933 /nfs/dbraw/zinc/77/69/33/571776933.db2.gz LBYHIRMPHGLONM-UHFFFAOYSA-N -1 3 265.696 3.128 20 0 CGADHM CCCCOCCOC(=O)c1cc2ccsc2[n-]1 ZINC000728762809 571819009 /nfs/dbraw/zinc/81/90/09/571819009.db2.gz DDKAPMAMAWPKCL-UHFFFAOYSA-N -1 3 267.350 3.203 20 0 CGADHM O=C([O-])[C@H](N[C@@H]1CCc2ccc(F)cc21)c1ccccc1 ZINC000738521128 571829530 /nfs/dbraw/zinc/82/95/30/571829530.db2.gz MLDSNVWRPPPEGL-HZPDHXFCSA-N -1 3 285.318 3.229 20 0 CGADHM CCN(C)c1ccccc1CNC(=O)c1ccc(C)cc1[O-] ZINC000730287988 572335672 /nfs/dbraw/zinc/33/56/72/572335672.db2.gz QAJWCEGVQBPMLY-UHFFFAOYSA-N -1 3 298.386 3.087 20 0 CGADHM C[C@H](c1ccc(Cl)cc1)N1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000739054952 572400482 /nfs/dbraw/zinc/40/04/82/572400482.db2.gz VEMDRLRREPSERZ-VXGBXAGGSA-N -1 3 296.798 3.333 20 0 CGADHM C[C@@H](NC(=O)[O-])C1CCN([C@H](C)c2cccc(F)c2)CC1 ZINC000739029632 572407766 /nfs/dbraw/zinc/40/77/66/572407766.db2.gz WBOVOMLLDADXEK-VXGBXAGGSA-N -1 3 294.370 3.255 20 0 CGADHM O=C(O[C@@H]1CCCc2ccccc2C1=O)c1ccc([O-])cc1 ZINC000731505195 572414767 /nfs/dbraw/zinc/41/47/67/572414767.db2.gz XQHVIKNFMJQXDY-MRXNPFEDSA-N -1 3 296.322 3.137 20 0 CGADHM O=C([O-])Nc1ccc(CCNCc2ccc(Cl)o2)cc1 ZINC000740021115 572428821 /nfs/dbraw/zinc/42/88/21/572428821.db2.gz VIPLHBPSNPIFJL-UHFFFAOYSA-N -1 3 294.738 3.355 20 0 CGADHM Cc1cc(N2CC[C@H](NC(=O)[O-])[C@H](C)C2)c2ccccc2n1 ZINC000740078819 572430977 /nfs/dbraw/zinc/43/09/77/572430977.db2.gz VUQGPHIQCMMZHK-RISCZKNCSA-N -1 3 299.374 3.026 20 0 CGADHM O=C([O-])N(CCCNCc1ccc(Cl)s1)C1CC1 ZINC000740490717 572443675 /nfs/dbraw/zinc/44/36/75/572443675.db2.gz YEUBWTLZOFPUIN-UHFFFAOYSA-N -1 3 288.800 3.024 20 0 CGADHM CCC[C@H](CCc1ccccc1)[N-]C(=O)C(F)(F)F ZINC000741710008 572520419 /nfs/dbraw/zinc/52/04/19/572520419.db2.gz SAVCIUWQGLMIIB-GFCCVEGCSA-N -1 3 273.298 3.466 20 0 CGADHM CC[C@H](c1ccc(Cl)cc1)N1CC[C@H](CNC(=O)[O-])C1 ZINC000739279687 572541078 /nfs/dbraw/zinc/54/10/78/572541078.db2.gz SEVPIPQPQYUNBI-BXUZGUMPSA-N -1 3 296.798 3.381 20 0 CGADHM C[C@@H](COC(=O)c1ccc([O-])cc1O)c1ccccc1 ZINC000735127024 572702568 /nfs/dbraw/zinc/70/25/68/572702568.db2.gz HRLLXVUHTJFSPU-NSHDSACASA-N -1 3 272.300 3.058 20 0 CGADHM CC(C)C[C@H](C)Oc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735761391 572740549 /nfs/dbraw/zinc/74/05/49/572740549.db2.gz NPBUKAQNISRJGD-VIFPVBQESA-N -1 3 280.759 3.334 20 0 CGADHM CC(C)C[C@H](C)Oc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735761391 572740550 /nfs/dbraw/zinc/74/05/50/572740550.db2.gz NPBUKAQNISRJGD-VIFPVBQESA-N -1 3 280.759 3.334 20 0 CGADHM CC(C)Sc1nc(-c2ccccc2)ccc1-c1nnn[n-]1 ZINC000735920940 572752129 /nfs/dbraw/zinc/75/21/29/572752129.db2.gz BQECFFVWJMRSHL-UHFFFAOYSA-N -1 3 297.387 3.429 20 0 CGADHM CC(C)Sc1nc(-c2ccccc2)ccc1-c1nn[n-]n1 ZINC000735920940 572752133 /nfs/dbraw/zinc/75/21/33/572752133.db2.gz BQECFFVWJMRSHL-UHFFFAOYSA-N -1 3 297.387 3.429 20 0 CGADHM C[C@H](N(C)c1c(F)cc(-c2nnn[n-]2)cc1F)C(C)(C)C ZINC000736099384 572768707 /nfs/dbraw/zinc/76/87/07/572768707.db2.gz VBBIEBUYQQRCHZ-QMMMGPOBSA-N -1 3 295.337 3.016 20 0 CGADHM C[C@H](N(C)c1c(F)cc(-c2nn[n-]n2)cc1F)C(C)(C)C ZINC000736099384 572768712 /nfs/dbraw/zinc/76/87/12/572768712.db2.gz VBBIEBUYQQRCHZ-QMMMGPOBSA-N -1 3 295.337 3.016 20 0 CGADHM C[C@@H]1C[C@H](C)CN(c2c(Cl)cccc2-c2nnn[n-]2)C1 ZINC000736225462 572773345 /nfs/dbraw/zinc/77/33/45/572773345.db2.gz CKWKHSRHGFPRNL-AOOOYVTPSA-N -1 3 291.786 3.002 20 0 CGADHM C[C@@H]1C[C@H](C)CN(c2c(Cl)cccc2-c2nn[n-]n2)C1 ZINC000736225462 572773347 /nfs/dbraw/zinc/77/33/47/572773347.db2.gz CKWKHSRHGFPRNL-AOOOYVTPSA-N -1 3 291.786 3.002 20 0 CGADHM CC[C@@H](Nc1ccc(-c2nnn[n-]2)cn1)C1CCCCC1 ZINC000736367438 572784413 /nfs/dbraw/zinc/78/44/13/572784413.db2.gz ATUQLQBACAUERK-CYBMUJFWSA-N -1 3 286.383 3.033 20 0 CGADHM CC[C@@H](Nc1ccc(-c2nn[n-]n2)cn1)C1CCCCC1 ZINC000736367438 572784417 /nfs/dbraw/zinc/78/44/17/572784417.db2.gz ATUQLQBACAUERK-CYBMUJFWSA-N -1 3 286.383 3.033 20 0 CGADHM CC[C@H]1CCCN(c2ccc(Cl)cc2-c2nnn[n-]2)C1 ZINC000736401217 572787403 /nfs/dbraw/zinc/78/74/03/572787403.db2.gz GUTSMCNJZRPPBG-JTQLQIEISA-N -1 3 291.786 3.147 20 0 CGADHM CC[C@H]1CCCN(c2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC000736401217 572787407 /nfs/dbraw/zinc/78/74/07/572787407.db2.gz GUTSMCNJZRPPBG-JTQLQIEISA-N -1 3 291.786 3.147 20 0 CGADHM CC(C)CCOCCN[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000736432212 572789440 /nfs/dbraw/zinc/78/94/40/572789440.db2.gz SFOQOXHCCXBTMR-CQSZACIVSA-N -1 3 299.798 3.118 20 0 CGADHM CCCC[C@@H]1CCC[C@@H]1Nc1ncccc1-c1nnn[n-]1 ZINC000736441516 572792763 /nfs/dbraw/zinc/79/27/63/572792763.db2.gz RGVLKSMSKSRNOS-YPMHNXCESA-N -1 3 286.383 3.033 20 0 CGADHM CCCC[C@@H]1CCC[C@@H]1Nc1ncccc1-c1nn[n-]n1 ZINC000736441516 572792765 /nfs/dbraw/zinc/79/27/65/572792765.db2.gz RGVLKSMSKSRNOS-YPMHNXCESA-N -1 3 286.383 3.033 20 0 CGADHM CCCCCSCc1ccc(-c2nnn[n-]2)cc1 ZINC000736452436 572794815 /nfs/dbraw/zinc/79/48/15/572794815.db2.gz XWFWYIZMTYDDHR-UHFFFAOYSA-N -1 3 262.382 3.290 20 0 CGADHM CCCCCSCc1ccc(-c2nn[n-]n2)cc1 ZINC000736452436 572794819 /nfs/dbraw/zinc/79/48/19/572794819.db2.gz XWFWYIZMTYDDHR-UHFFFAOYSA-N -1 3 262.382 3.290 20 0 CGADHM O=C(Nc1ccc(Br)cc1[O-])[C@H]1CC=CCC1 ZINC000075472658 572878510 /nfs/dbraw/zinc/87/85/10/572878510.db2.gz NKULTLMDRKFDRP-VIFPVBQESA-N -1 3 296.164 3.450 20 0 CGADHM CC(C)CCc1nc(CO[N-]C(=O)C(C)(C)C)cs1 ZINC000747834985 572951157 /nfs/dbraw/zinc/95/11/57/572951157.db2.gz WRLJZSCDZDQWPL-UHFFFAOYSA-N -1 3 284.425 3.326 20 0 CGADHM O=C(OCC[C@H]1CCCC1=O)c1cc2ccsc2[n-]1 ZINC000748160675 572964589 /nfs/dbraw/zinc/96/45/89/572964589.db2.gz KZUYYPPOLSMENU-SECBINFHSA-N -1 3 277.345 3.146 20 0 CGADHM C[C@H](Cc1ccc(F)cc1)C(=O)Nc1cc(F)ccc1[O-] ZINC000748854377 572986866 /nfs/dbraw/zinc/98/68/66/572986866.db2.gz REEIKZUIOPRXGQ-SNVBAGLBSA-N -1 3 291.297 3.488 20 0 CGADHM Cc1cc(C)c(/C=C\C(=O)[N-]O[C@H]2CCCCO2)cc1C ZINC000749620338 573024409 /nfs/dbraw/zinc/02/44/09/573024409.db2.gz QQHUOKYAFOIWAH-QWPQOLDESA-N -1 3 289.375 3.199 20 0 CGADHM COCC[C@@H](C)Sc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826154138 607843848 /nfs/dbraw/zinc/84/38/48/607843848.db2.gz IWXYPIDOUBJWMD-MRVPVSSYSA-N -1 3 298.799 3.037 20 0 CGADHM COCC[C@@H](C)Sc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826154138 607843849 /nfs/dbraw/zinc/84/38/49/607843849.db2.gz IWXYPIDOUBJWMD-MRVPVSSYSA-N -1 3 298.799 3.037 20 0 CGADHM CC(C)[C@H](NCc1ccc(C(=O)[O-])cc1)c1ccccn1 ZINC000819961682 598180171 /nfs/dbraw/zinc/18/01/71/598180171.db2.gz AGXCSILSSQTKRM-INIZCTEOSA-N -1 3 284.359 3.267 20 0 CGADHM Clc1cc(NCc2cccs2)ccc1-c1nnn[n-]1 ZINC000095178496 598273772 /nfs/dbraw/zinc/27/37/72/598273772.db2.gz HOGABIPRAOYGOP-UHFFFAOYSA-N -1 3 291.767 3.194 20 0 CGADHM Clc1cc(NCc2cccs2)ccc1-c1nn[n-]n1 ZINC000095178496 598273774 /nfs/dbraw/zinc/27/37/74/598273774.db2.gz HOGABIPRAOYGOP-UHFFFAOYSA-N -1 3 291.767 3.194 20 0 CGADHM C[C@H](Sc1ccccc1-c1nnn[n-]1)c1ccncc1 ZINC000820555551 599344580 /nfs/dbraw/zinc/34/45/80/599344580.db2.gz MHNLNEBIWWWBNO-JTQLQIEISA-N -1 3 283.360 3.115 20 0 CGADHM C[C@H](Sc1ccccc1-c1nn[n-]n1)c1ccncc1 ZINC000820555551 599344581 /nfs/dbraw/zinc/34/45/81/599344581.db2.gz MHNLNEBIWWWBNO-JTQLQIEISA-N -1 3 283.360 3.115 20 0 CGADHM Clc1ccc(-c2nnn[n-]2)c(NC[C@H]2CC=CCC2)c1 ZINC000737570081 599418787 /nfs/dbraw/zinc/41/87/87/599418787.db2.gz ANZVXSUMEQXKEU-JTQLQIEISA-N -1 3 289.770 3.288 20 0 CGADHM Clc1ccc(-c2nn[n-]n2)c(NC[C@H]2CC=CCC2)c1 ZINC000737570081 599418790 /nfs/dbraw/zinc/41/87/90/599418790.db2.gz ANZVXSUMEQXKEU-JTQLQIEISA-N -1 3 289.770 3.288 20 0 CGADHM Clc1cccc(-c2nn[n-]n2)c1NC1CCCCC1 ZINC000822582536 599463906 /nfs/dbraw/zinc/46/39/06/599463906.db2.gz WBJXNVXOMODAJB-UHFFFAOYSA-N -1 3 277.759 3.265 20 0 CGADHM Clc1cccc(-c2nnn[n-]2)c1NC1CCCCC1 ZINC000822582536 599463903 /nfs/dbraw/zinc/46/39/03/599463903.db2.gz WBJXNVXOMODAJB-UHFFFAOYSA-N -1 3 277.759 3.265 20 0 CGADHM CN(CC(C)(C)C)c1c(Cl)cccc1-c1nnn[n-]1 ZINC000821593686 599518053 /nfs/dbraw/zinc/51/80/53/599518053.db2.gz FJHURAHFMHKLPW-UHFFFAOYSA-N -1 3 279.775 3.002 20 0 CGADHM CN(CC(C)(C)C)c1c(Cl)cccc1-c1nn[n-]n1 ZINC000821593686 599518054 /nfs/dbraw/zinc/51/80/54/599518054.db2.gz FJHURAHFMHKLPW-UHFFFAOYSA-N -1 3 279.775 3.002 20 0 CGADHM COc1ccccc1[C@@H]1CCCCN1C/C=C(\C)C(=O)[O-] ZINC000832602867 601165047 /nfs/dbraw/zinc/16/50/47/601165047.db2.gz WRJMUNPRACVXCS-VOMSXAGXSA-N -1 3 289.375 3.253 20 0 CGADHM C(=Cc1ccc(-c2nnn[n-]2)cn1)c1coc2ccccc12 ZINC000823862040 607527371 /nfs/dbraw/zinc/52/73/71/607527371.db2.gz XJGRTDNUBMNWSX-SOFGYWHQSA-N -1 3 289.298 3.178 20 0 CGADHM C(=Cc1ccc(-c2nn[n-]n2)cn1)c1coc2ccccc12 ZINC000823862040 607527378 /nfs/dbraw/zinc/52/73/78/607527378.db2.gz XJGRTDNUBMNWSX-SOFGYWHQSA-N -1 3 289.298 3.178 20 0 CGADHM Cn1cccc1[C@@H]1CCCN1Cc1ccc(C(=O)[O-])s1 ZINC000833058300 601939196 /nfs/dbraw/zinc/93/91/96/601939196.db2.gz AHYADGGBHGGUBX-ZDUSSCGKSA-N -1 3 290.388 3.122 20 0 CGADHM C[C@@H](CSc1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC000824448518 607657774 /nfs/dbraw/zinc/65/77/74/607657774.db2.gz IWBORAUODJCUMH-ZETCQYMHSA-N -1 3 288.298 3.157 20 0 CGADHM C[C@@H](CSc1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC000824448518 607657775 /nfs/dbraw/zinc/65/77/75/607657775.db2.gz IWBORAUODJCUMH-ZETCQYMHSA-N -1 3 288.298 3.157 20 0 CGADHM C[C@H](c1ccccc1F)N1CCC[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000825255957 604217024 /nfs/dbraw/zinc/21/70/24/604217024.db2.gz SNXKWHKJRWMCHN-YNEHKIRRSA-N -1 3 294.370 3.255 20 0 CGADHM CCc1ccc(NCc2ccccc2-c2nnn[n-]2)cc1F ZINC000825716931 607687041 /nfs/dbraw/zinc/68/70/41/607687041.db2.gz DCPDQNOFSKMEQN-UHFFFAOYSA-N -1 3 297.337 3.180 20 0 CGADHM CCc1ccc(NCc2ccccc2-c2nn[n-]n2)cc1F ZINC000825716931 607687043 /nfs/dbraw/zinc/68/70/43/607687043.db2.gz DCPDQNOFSKMEQN-UHFFFAOYSA-N -1 3 297.337 3.180 20 0 CGADHM C[C@H]1C[C@H](N[C@@H]2CCN(C(=O)[O-])C2)c2ccsc2S1 ZINC000829820814 604316661 /nfs/dbraw/zinc/31/66/61/604316661.db2.gz JEPXHENJKRXQEP-NGZCFLSTSA-N -1 3 298.433 3.015 20 0 CGADHM Cc1ccc([C@H](C)NC[C@H](NC(=O)[O-])c2ccccc2)o1 ZINC000830256321 604380740 /nfs/dbraw/zinc/38/07/40/604380740.db2.gz IAKWFWFUWXTCQP-JSGCOSHPSA-N -1 3 288.347 3.248 20 0 CGADHM O=C([O-])CCCN1CC=C(c2ccccc2Cl)CC1 ZINC000833772841 604577399 /nfs/dbraw/zinc/57/73/99/604577399.db2.gz COVFTCVSAFDDKJ-UHFFFAOYSA-N -1 3 279.767 3.294 20 0 CGADHM CC(C)(CC(=O)[O-])NCc1ncc(-c2ccccc2)s1 ZINC000833456541 604961173 /nfs/dbraw/zinc/96/11/73/604961173.db2.gz ZVRYDJCGOQHNMH-UHFFFAOYSA-N -1 3 290.388 3.153 20 0 CGADHM Cc1cc([C@H](C)N[C@@H](C(=O)[O-])c2cccnc2)ccc1F ZINC000832873299 605007642 /nfs/dbraw/zinc/00/76/42/605007642.db2.gz FTYQNEYDSHZNOB-XHDPSFHLSA-N -1 3 288.322 3.006 20 0 CGADHM O=C([O-])Nc1cccc(CN2CCC[C@H]2c2ccc[nH]2)c1 ZINC000834269577 605604538 /nfs/dbraw/zinc/60/45/38/605604538.db2.gz ZGPKVTJTHJRKOS-HNNXBMFYSA-N -1 3 285.347 3.442 20 0 CGADHM C(=Cc1nc2ccccc2o1)c1ccc(-c2nnn[n-]2)s1 ZINC000819709530 606388285 /nfs/dbraw/zinc/38/82/85/606388285.db2.gz IDIHEVFWEGHQMM-VURMDHGXSA-N -1 3 295.327 3.240 20 0 CGADHM CC1(CNc2cc(-c3nnn[n-]3)c3ccccc3n2)CCC1 ZINC000820623121 606428759 /nfs/dbraw/zinc/42/87/59/606428759.db2.gz FRIJSFXCNQANEA-UHFFFAOYSA-N -1 3 294.362 3.017 20 0 CGADHM CC1(CNc2cc(-c3nn[n-]n3)c3ccccc3n2)CCC1 ZINC000820623121 606428761 /nfs/dbraw/zinc/42/87/61/606428761.db2.gz FRIJSFXCNQANEA-UHFFFAOYSA-N -1 3 294.362 3.017 20 0 CGADHM Cc1ccc(C)c(NCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822232120 606608008 /nfs/dbraw/zinc/60/80/08/606608008.db2.gz UPGOHUUUJUUTDB-UHFFFAOYSA-N -1 3 279.347 3.096 20 0 CGADHM Cc1ccc(C)c(NCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822232120 606608011 /nfs/dbraw/zinc/60/80/11/606608011.db2.gz UPGOHUUUJUUTDB-UHFFFAOYSA-N -1 3 279.347 3.096 20 0 CGADHM CCCSc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000821138891 606630326 /nfs/dbraw/zinc/63/03/26/606630326.db2.gz JLNLRAAWQAXQCU-UHFFFAOYSA-N -1 3 254.746 3.022 20 0 CGADHM CCCSc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000821138891 606630328 /nfs/dbraw/zinc/63/03/28/606630328.db2.gz JLNLRAAWQAXQCU-UHFFFAOYSA-N -1 3 254.746 3.022 20 0 CGADHM CC[C@H](C)CSCc1cc(-c2nnn[n-]2)ccc1F ZINC000820868538 606795302 /nfs/dbraw/zinc/79/53/02/606795302.db2.gz ABABPJLNVRYKSE-VIFPVBQESA-N -1 3 280.372 3.285 20 0 CGADHM CC[C@H](C)CSCc1cc(-c2nn[n-]n2)ccc1F ZINC000820868538 606795304 /nfs/dbraw/zinc/79/53/04/606795304.db2.gz ABABPJLNVRYKSE-VIFPVBQESA-N -1 3 280.372 3.285 20 0 CGADHM Cc1ccc(NCc2ccc(F)c(-c3nnn[n-]3)c2)cc1C ZINC000822259188 606928394 /nfs/dbraw/zinc/92/83/94/606928394.db2.gz OWFXYPSWZUVTRG-UHFFFAOYSA-N -1 3 297.337 3.235 20 0 CGADHM Cc1ccc(NCc2ccc(F)c(-c3nn[n-]n3)c2)cc1C ZINC000822259188 606928396 /nfs/dbraw/zinc/92/83/96/606928396.db2.gz OWFXYPSWZUVTRG-UHFFFAOYSA-N -1 3 297.337 3.235 20 0 CGADHM CCC(CC)SCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820897656 607007790 /nfs/dbraw/zinc/00/77/90/607007790.db2.gz KNAQJNQHBRWXNH-UHFFFAOYSA-N -1 3 280.372 3.428 20 0 CGADHM CCC(CC)SCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820897656 607007788 /nfs/dbraw/zinc/00/77/88/607007788.db2.gz KNAQJNQHBRWXNH-UHFFFAOYSA-N -1 3 280.372 3.428 20 0 CGADHM Fc1cc(-c2nnn[n-]2)ccc1OCCCc1ccccc1 ZINC000822748378 607136836 /nfs/dbraw/zinc/13/68/36/607136836.db2.gz WJWNVZNNMCMNDA-UHFFFAOYSA-N -1 3 298.321 3.017 20 0 CGADHM Fc1cc(-c2nn[n-]n2)ccc1OCCCc1ccccc1 ZINC000822748378 607136838 /nfs/dbraw/zinc/13/68/38/607136838.db2.gz WJWNVZNNMCMNDA-UHFFFAOYSA-N -1 3 298.321 3.017 20 0 CGADHM Cc1ccccc1[C@@H](C)Sc1cc(-c2nnn[n-]2)ccn1 ZINC000822345416 607161473 /nfs/dbraw/zinc/16/14/73/607161473.db2.gz IPFBKNCMAYRTOI-LLVKDONJSA-N -1 3 297.387 3.423 20 0 CGADHM Cc1ccccc1[C@@H](C)Sc1cc(-c2nn[n-]n2)ccn1 ZINC000822345416 607161474 /nfs/dbraw/zinc/16/14/74/607161474.db2.gz IPFBKNCMAYRTOI-LLVKDONJSA-N -1 3 297.387 3.423 20 0 CGADHM C[C@H](Nc1cc(-c2nnn[n-]2)c2ccccc2n1)C1CCC1 ZINC000824648366 607903651 /nfs/dbraw/zinc/90/36/51/607903651.db2.gz DXIFYXOXLWYMPT-JTQLQIEISA-N -1 3 294.362 3.015 20 0 CGADHM C[C@H](Nc1cc(-c2nn[n-]n2)c2ccccc2n1)C1CCC1 ZINC000824648366 607903652 /nfs/dbraw/zinc/90/36/52/607903652.db2.gz DXIFYXOXLWYMPT-JTQLQIEISA-N -1 3 294.362 3.015 20 0 CGADHM CCC[C@@H](C)N(C)c1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000825232401 608222967 /nfs/dbraw/zinc/22/29/67/608222967.db2.gz GTEOBZCACOWMLZ-LLVKDONJSA-N -1 3 296.378 3.040 20 0 CGADHM CCC[C@@H](C)N(C)c1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000825232401 608222969 /nfs/dbraw/zinc/22/29/69/608222969.db2.gz GTEOBZCACOWMLZ-LLVKDONJSA-N -1 3 296.378 3.040 20 0 CGADHM C[C@H]1CCC[C@H]1Nc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000824936873 608226496 /nfs/dbraw/zinc/22/64/96/608226496.db2.gz MPVDCPYACSAZAS-GXFFZTMASA-N -1 3 294.362 3.015 20 0 CGADHM C[C@H]1CCC[C@H]1Nc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000824936873 608226499 /nfs/dbraw/zinc/22/64/99/608226499.db2.gz MPVDCPYACSAZAS-GXFFZTMASA-N -1 3 294.362 3.015 20 0 CGADHM c1cc(-c2nnn[n-]2)ccc1CNc1ccc(C2CC2)cc1 ZINC000826514346 608236910 /nfs/dbraw/zinc/23/69/10/608236910.db2.gz OQWWHEVOMFZRRZ-UHFFFAOYSA-N -1 3 291.358 3.356 20 0 CGADHM c1cc(-c2nn[n-]n2)ccc1CNc1ccc(C2CC2)cc1 ZINC000826514346 608236912 /nfs/dbraw/zinc/23/69/12/608236912.db2.gz OQWWHEVOMFZRRZ-UHFFFAOYSA-N -1 3 291.358 3.356 20 0 CGADHM COc1cc(-c2nnn[n-]2)ccc1CSC1CCCC1 ZINC000826173829 608261057 /nfs/dbraw/zinc/26/10/57/608261057.db2.gz WPPAEYWIFNRDDO-UHFFFAOYSA-N -1 3 290.392 3.051 20 0 CGADHM COc1cc(-c2nn[n-]n2)ccc1CSC1CCCC1 ZINC000826173829 608261058 /nfs/dbraw/zinc/26/10/58/608261058.db2.gz WPPAEYWIFNRDDO-UHFFFAOYSA-N -1 3 290.392 3.051 20 0 CGADHM Fc1ccc(/C=C/CNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826374044 608869977 /nfs/dbraw/zinc/86/99/77/608869977.db2.gz JIWZODRGTVJJTR-NSCUHMNNSA-N -1 3 295.321 3.131 20 0 CGADHM Fc1ccc(/C=C/CNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826374044 608869981 /nfs/dbraw/zinc/86/99/81/608869981.db2.gz JIWZODRGTVJJTR-NSCUHMNNSA-N -1 3 295.321 3.131 20 0 CGADHM Cc1cc(-c2nn[n-]n2)ccc1OCc1ccc(CF)cc1 ZINC000826255133 609267407 /nfs/dbraw/zinc/26/74/07/609267407.db2.gz NANYCJZSOPAWGC-UHFFFAOYSA-N -1 3 298.321 3.224 20 0 CGADHM Cc1cc(CNc2cc(-c3nnn[n-]3)ccc2C)c(C)s1 ZINC000826267241 609481951 /nfs/dbraw/zinc/48/19/51/609481951.db2.gz XLGJBTZCLJCQRA-UHFFFAOYSA-N -1 3 299.403 3.466 20 0 CGADHM Cc1cc(CNc2cc(-c3nn[n-]n3)ccc2C)c(C)s1 ZINC000826267241 609481953 /nfs/dbraw/zinc/48/19/53/609481953.db2.gz XLGJBTZCLJCQRA-UHFFFAOYSA-N -1 3 299.403 3.466 20 0 CGADHM CC(C)[C@@H]1C[C@@H](CC(=O)[N-]OC2CCCCC2)CCO1 ZINC000777962575 617717191 /nfs/dbraw/zinc/71/71/91/617717191.db2.gz YDUTWLNXAYCANX-ZFWWWQNUSA-N -1 3 283.412 3.208 20 0 CGADHM O=C([N-]c1cccc(F)c1F)c1scnc1Cl ZINC000049388022 618061068 /nfs/dbraw/zinc/06/10/68/618061068.db2.gz ZQFBDXJRQWGQLO-UHFFFAOYSA-N -1 3 274.679 3.327 20 0 CGADHM CC[C@H](CC(=O)[N-]OCc1cccnc1)C(C)(C)C ZINC000866864460 618498831 /nfs/dbraw/zinc/49/88/31/618498831.db2.gz ROWAOYIRYQNOIY-CYBMUJFWSA-N -1 3 264.369 3.092 20 0 CGADHM [O-]c1ccc(CN2CCO[C@@H](c3ccsc3)C2)cc1F ZINC000892139768 618555342 /nfs/dbraw/zinc/55/53/42/618555342.db2.gz CWBSBOAPCNZGJR-OAHLLOKOSA-N -1 3 293.363 3.166 20 0 CGADHM CC/C=C(\C)C(=O)Nc1cc(Br)ccc1[O-] ZINC000179655441 619009899 /nfs/dbraw/zinc/00/98/99/619009899.db2.gz XZJJNWAFBCKVEN-XBXARRHUSA-N -1 3 284.153 3.450 20 0 CGADHM Cc1nc(Cl)ccc1C(=O)Nc1cc(F)ccc1[O-] ZINC000162380012 619077344 /nfs/dbraw/zinc/07/73/44/619077344.db2.gz SVADLFAGZHSZNK-UHFFFAOYSA-N -1 3 280.686 3.140 20 0 CGADHM CC(C)c1cc(C(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)on1 ZINC000072647041 625322740 /nfs/dbraw/zinc/32/27/40/625322740.db2.gz YRIGRLIXCVIFAE-UHFFFAOYSA-N -1 3 293.254 3.098 20 0 CGADHM C[C@H](CC(C)(C)C)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC000314987511 619239999 /nfs/dbraw/zinc/23/99/99/619239999.db2.gz PUQPCBPUWKQRQP-RKDXNWHRSA-N -1 3 270.398 3.317 20 0 CGADHM O=C(CCc1ccccc1Cl)[N-]OCCC(F)(F)F ZINC000162968149 619241650 /nfs/dbraw/zinc/24/16/50/619241650.db2.gz NCLNOWKKVLQLAK-UHFFFAOYSA-N -1 3 295.688 3.273 20 0 CGADHM CC1(C)CO[C@H](CC(=O)Nc2cc(Cl)ccc2[O-])C1 ZINC000895849747 619897267 /nfs/dbraw/zinc/89/72/67/619897267.db2.gz YYTYUJGDCJKJEG-SNVBAGLBSA-N -1 3 283.755 3.189 20 0 CGADHM COC(C)(C)[C@@H](C)NC(=O)c1cc2sccc2c([O-])c1 ZINC000928602009 619920894 /nfs/dbraw/zinc/92/08/94/619920894.db2.gz HZOHVKGHXGGYAQ-SECBINFHSA-N -1 3 293.388 3.150 20 0 CGADHM CC(C)C[C@@H](CNCc1c(F)cccc1Cl)C(=O)[O-] ZINC000263455065 620319883 /nfs/dbraw/zinc/31/98/83/620319883.db2.gz BUBUPMBVKVDUQD-JTQLQIEISA-N -1 3 287.762 3.316 20 0 CGADHM CCC1(C(=O)[N-]OCc2cccc(C)n2)CCCCC1 ZINC000898932142 620610362 /nfs/dbraw/zinc/61/03/62/620610362.db2.gz HQKUUABDHUZROR-UHFFFAOYSA-N -1 3 276.380 3.298 20 0 CGADHM Cc1cccc(CO[N-]C(=O)C[C@@H](C)CC(C)C)n1 ZINC000898935082 620611030 /nfs/dbraw/zinc/61/10/30/620611030.db2.gz DUPPQNROJSBCNV-LBPRGKRZSA-N -1 3 264.369 3.010 20 0 CGADHM O=C([O-])CC[C@@H]1CCCN(Cc2cnc(C3CC3)s2)C1 ZINC000901551038 620935089 /nfs/dbraw/zinc/93/50/89/620935089.db2.gz BDBFVZKQJSSBDQ-NSHDSACASA-N -1 3 294.420 3.097 20 0 CGADHM C[C@@H](Sc1nc2c(cnn2C)c(=O)[n-]1)C1CCCCC1 ZINC000901584954 620947751 /nfs/dbraw/zinc/94/77/51/620947751.db2.gz AOEPOTGKXOTVOW-SECBINFHSA-N -1 3 292.408 3.130 20 0 CGADHM COC[C@@H](SCc1nc(C)cc(=O)[n-]1)c1ccccc1 ZINC000901661663 620970755 /nfs/dbraw/zinc/97/07/55/620970755.db2.gz HGSJZYXRNBBMRK-CYBMUJFWSA-N -1 3 290.388 3.112 20 0 CGADHM CCC[C@H](NCc1cccc(C(=O)[O-])n1)c1ccccc1 ZINC000902071975 621125703 /nfs/dbraw/zinc/12/57/03/621125703.db2.gz LHNPAOLHJJLWKN-HNNXBMFYSA-N -1 3 284.359 3.411 20 0 CGADHM CCc1nc(CN[C@H](C)CCCC(C)(C)C(=O)[O-])cs1 ZINC000902235905 621206017 /nfs/dbraw/zinc/20/60/17/621206017.db2.gz ZHANCEGZASHZLP-LLVKDONJSA-N -1 3 298.452 3.465 20 0 CGADHM O=C([O-])CC1CCC(N[C@@H]2C[C@@]2(F)c2ccccc2)CC1 ZINC000902339515 621252422 /nfs/dbraw/zinc/25/24/22/621252422.db2.gz ACFFTNOHJKVNHN-MALUVHSTSA-N -1 3 291.366 3.247 20 0 CGADHM CCc1cc(=O)[n-]c(CSCCCC(C)(F)F)n1 ZINC000902343795 621255783 /nfs/dbraw/zinc/25/57/83/621255783.db2.gz UMDSONUWBGZRNT-UHFFFAOYSA-N -1 3 276.352 3.413 20 0 CGADHM CC[C@H](CC(F)(F)F)NCc1cc(C)c(C(=O)[O-])o1 ZINC000902335760 621271317 /nfs/dbraw/zinc/27/13/17/621271317.db2.gz JKDHFOMPTHXZMT-MRVPVSSYSA-N -1 3 279.258 3.107 20 0 CGADHM O=C([O-])c1coc(CNCC2(C(F)(F)F)CCCC2)c1 ZINC000902494114 621344095 /nfs/dbraw/zinc/34/40/95/621344095.db2.gz QAMVUVQNITUDKZ-UHFFFAOYSA-N -1 3 291.269 3.190 20 0 CGADHM CC[C@@H](C)[C@H](C(=O)[O-])N(C)Cc1c(F)cccc1Cl ZINC000903590829 621771556 /nfs/dbraw/zinc/77/15/56/621771556.db2.gz AOKHVRJISRLXSZ-NOZJJQNGSA-N -1 3 287.762 3.410 20 0 CGADHM CC[C@@H](C)[C@@H](C(=O)[O-])N(C)Cc1c(F)cccc1Cl ZINC000903590830 621771605 /nfs/dbraw/zinc/77/16/05/621771605.db2.gz AOKHVRJISRLXSZ-RNCFNFMXSA-N -1 3 287.762 3.410 20 0 CGADHM CC[C@@H](C)[C@@H](C(=O)[O-])N(C)Cc1cc2ccccc2o1 ZINC000903597346 621774112 /nfs/dbraw/zinc/77/41/12/621774112.db2.gz LTJSSLMUIKVVOU-ABAIWWIYSA-N -1 3 275.348 3.364 20 0 CGADHM COc1ccc(CNCc2ccc(C(=O)[O-])s2)c(C)c1 ZINC000903681421 621788085 /nfs/dbraw/zinc/78/80/85/621788085.db2.gz ZDDJLHLKXNLETB-UHFFFAOYSA-N -1 3 291.372 3.053 20 0 CGADHM CN(Cc1cncc(C(=O)[O-])c1)[C@H]1CCCc2ccccc21 ZINC000903886053 621826799 /nfs/dbraw/zinc/82/67/99/621826799.db2.gz VEVLFMGOYYPVQW-KRWDZBQOSA-N -1 3 296.370 3.289 20 0 CGADHM COc1ccsc1CNCc1ccc(C(=O)[O-])c(C)c1 ZINC000904021586 621852475 /nfs/dbraw/zinc/85/24/75/621852475.db2.gz YUWUIICXIIFGCZ-UHFFFAOYSA-N -1 3 291.372 3.053 20 0 CGADHM Cc1cc(CN[C@H](CC(=O)[O-])c2cccc(C)c2)sn1 ZINC000904045777 621859073 /nfs/dbraw/zinc/85/90/73/621859073.db2.gz NWKJVOVDZNOFHX-CQSZACIVSA-N -1 3 290.388 3.066 20 0 CGADHM COCCOCc1cccc(-c2ccc(F)c([O-])c2)c1 ZINC000904760263 621966958 /nfs/dbraw/zinc/96/69/58/621966958.db2.gz ZAWHFVTUIHXSCC-UHFFFAOYSA-N -1 3 276.307 3.361 20 0 CGADHM O=c1cc(-c2nc([C@@H]3CCC[C@@H]4C[C@@H]43)no2)nc(C2CC2)[n-]1 ZINC000906126533 622154462 /nfs/dbraw/zinc/15/44/62/622154462.db2.gz MPAREFCDFQFLOL-MXWKQRLJSA-N -1 3 298.346 3.013 20 0 CGADHM CCc1csc([C@@H](C)NC(=O)c2c(C)cccc2[O-])n1 ZINC000910714842 622503727 /nfs/dbraw/zinc/50/37/27/622503727.db2.gz IPVUBNUMPNXVPG-SNVBAGLBSA-N -1 3 290.388 3.211 20 0 CGADHM CN(CCC(C)(C)C(=O)[O-])Cc1ccccc1Cl ZINC000087591712 623109521 /nfs/dbraw/zinc/10/95/21/623109521.db2.gz DJMIICPMSMORTF-UHFFFAOYSA-N -1 3 269.772 3.273 20 0 CGADHM CCc1ccc(CCC(=O)[N-]OCc2ccccc2)cc1 ZINC000061509433 623150373 /nfs/dbraw/zinc/15/03/73/623150373.db2.gz OZRWKFROQHJSML-UHFFFAOYSA-N -1 3 283.371 3.430 20 0 CGADHM CSCCCCCCNC(=O)c1ccc(C)cc1[O-] ZINC000230075686 623198474 /nfs/dbraw/zinc/19/84/74/623198474.db2.gz LHONTUAXIVLBAI-UHFFFAOYSA-N -1 3 281.421 3.354 20 0 CGADHM CC[C@]1(C(=O)[O-])CCCN(Cc2ccc(Cl)s2)C1 ZINC000062877665 623272546 /nfs/dbraw/zinc/27/25/46/623272546.db2.gz OSHHGFWCOWLIOR-ZDUSSCGKSA-N -1 3 287.812 3.478 20 0 CGADHM O=C(c1cc2sccc2c([O-])c1)N1CCC[C@H](CF)C1 ZINC000914427361 623731766 /nfs/dbraw/zinc/73/17/66/623731766.db2.gz JTSAMQWFCWTXHV-SNVBAGLBSA-N -1 3 293.363 3.429 20 0 CGADHM CC(C)(C)c1cc(COC(=O)c2ccc([O-])cc2)no1 ZINC000837336682 624023208 /nfs/dbraw/zinc/02/32/08/624023208.db2.gz FJDNAMCSYYYUFL-UHFFFAOYSA-N -1 3 275.304 3.035 20 0 CGADHM CCCc1ccc(NC(=O)c2cc3c(cc2[O-])OCO3)cc1 ZINC000916738986 624210329 /nfs/dbraw/zinc/21/03/29/624210329.db2.gz KBBIYUJZOQXNGW-UHFFFAOYSA-N -1 3 299.326 3.326 20 0 CGADHM CC(C)c1ccc(C(=O)N[C@H](C)Cc2ccco2)c([O-])c1 ZINC000917103014 624240818 /nfs/dbraw/zinc/24/08/18/624240818.db2.gz APICXKUHZMHNIW-GFCCVEGCSA-N -1 3 287.359 3.470 20 0 CGADHM Cc1cccc(C(=O)Nc2cccc(N(C)C)c2C)c1[O-] ZINC000182997014 625039937 /nfs/dbraw/zinc/03/99/37/625039937.db2.gz OPLAVGMOUWNYKF-UHFFFAOYSA-N -1 3 284.359 3.327 20 0 CGADHM O=C(CCc1ccsc1)[N-]OCc1ccc(F)cc1 ZINC000184150965 625207176 /nfs/dbraw/zinc/20/71/76/625207176.db2.gz HCODKVSSXQAORZ-UHFFFAOYSA-N -1 3 279.336 3.068 20 0 CGADHM CC(F)(F)CCCOC(=O)c1cc(-c2ccco2)[n-]n1 ZINC000922315996 625996726 /nfs/dbraw/zinc/99/67/26/625996726.db2.gz TUWXDHDBARZGJJ-UHFFFAOYSA-N -1 3 284.262 3.262 20 0 CGADHM CC(F)(F)CCCOC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000922315996 625996729 /nfs/dbraw/zinc/99/67/29/625996729.db2.gz TUWXDHDBARZGJJ-UHFFFAOYSA-N -1 3 284.262 3.262 20 0 CGADHM CC(F)(F)CCCOC(=O)Cc1ccc([O-])c(F)c1 ZINC000922778438 626045102 /nfs/dbraw/zinc/04/51/02/626045102.db2.gz LGRWKWNUFDTYKU-UHFFFAOYSA-N -1 3 276.254 3.052 20 0 CGADHM Cc1onc(OC(F)F)c1[N-]C(=O)c1ccoc1C1CC1 ZINC000839341160 626340543 /nfs/dbraw/zinc/34/05/43/626340543.db2.gz CUFNBVMIOXUJJT-UHFFFAOYSA-N -1 3 298.245 3.307 20 0 CGADHM CSCCCOC(=O)c1cc(F)cc(Cl)c1[O-] ZINC000751732346 626402280 /nfs/dbraw/zinc/40/22/80/626402280.db2.gz RDUIXNJJXZXNSG-UHFFFAOYSA-N -1 3 278.732 3.095 20 0 CGADHM Cc1onc(-c2ccc(F)cc2)c1C(=O)[N-]c1ccon1 ZINC000755770333 626645360 /nfs/dbraw/zinc/64/53/60/626645360.db2.gz SZEBFDAHFWKEPY-UHFFFAOYSA-N -1 3 287.250 3.029 20 0 CGADHM C[C@H]1C[C@@H](CC(=O)[N-]OCC(F)F)CC(C)(C)C1 ZINC000759324715 626887823 /nfs/dbraw/zinc/88/78/23/626887823.db2.gz PYZWBEMKKHVDBC-UWVGGRQHSA-N -1 3 263.328 3.152 20 0 CGADHM CCCC[C@@H](OC(=O)c1cc2ccsc2[n-]1)C(=O)OC ZINC000762772425 627123342 /nfs/dbraw/zinc/12/33/42/627123342.db2.gz QDTKEJUOXVVXGH-LLVKDONJSA-N -1 3 295.360 3.118 20 0 CGADHM Cc1cccc(OCCSCc2nc(C)cc(=O)[n-]2)c1 ZINC000763216183 627145652 /nfs/dbraw/zinc/14/56/52/627145652.db2.gz OLOJMMUKEZXKGD-UHFFFAOYSA-N -1 3 290.388 3.111 20 0 CGADHM CC(=CC(=O)Nc1n[n-]c(-c2ccc(C)o2)n1)C(C)(C)C ZINC000764342632 627203391 /nfs/dbraw/zinc/20/33/91/627203391.db2.gz OOGLAXBLGRJKHM-CMDGGOBGSA-N -1 3 288.351 3.304 20 0 CGADHM Cc1ccc(-c2cc(C(=O)OC3CC4(CC4)C3)n[n-]2)o1 ZINC000835728488 634617063 /nfs/dbraw/zinc/61/70/63/634617063.db2.gz PPYRPGDVINQFTL-UHFFFAOYSA-N -1 3 272.304 3.078 20 0 CGADHM Cc1ccc(-c2cc(C(=O)OC3CC4(CC4)C3)[n-]n2)o1 ZINC000835728488 634617069 /nfs/dbraw/zinc/61/70/69/634617069.db2.gz PPYRPGDVINQFTL-UHFFFAOYSA-N -1 3 272.304 3.078 20 0 CGADHM O=C([N-]Cc1cc(Cl)ccn1)C(F)(F)c1ccccc1 ZINC000776233362 628183162 /nfs/dbraw/zinc/18/31/62/628183162.db2.gz VUVBPJSBZRRIAY-UHFFFAOYSA-N -1 3 296.704 3.143 20 0 CGADHM O=c1ccnc(C=Cc2cc(F)cc(Cl)c2)[n-]1 ZINC000776720487 628226859 /nfs/dbraw/zinc/22/68/59/628226859.db2.gz OWLVJYWCPRQUSD-OWOJBTEDSA-N -1 3 250.660 3.145 20 0 CGADHM O=C(OCc1ncc(Cl)cc1Cl)c1ccc([O-])cc1 ZINC000777047308 628246128 /nfs/dbraw/zinc/24/61/28/628246128.db2.gz WAAVPSJMJYZWIH-UHFFFAOYSA-N -1 3 298.125 3.451 20 0 CGADHM O=C(C[C@@H]1CCc2ccccc21)[N-]OC1CCCCC1 ZINC000777959785 628314443 /nfs/dbraw/zinc/31/44/43/628314443.db2.gz CZZUWRFQWDKZSI-AWEZNQCLSA-N -1 3 273.376 3.487 20 0 CGADHM Cc1ccc(CCC(=O)[N-]OC2CCCCC2)cc1 ZINC000777961679 628315381 /nfs/dbraw/zinc/31/53/81/628315381.db2.gz KBBQIXBBNMMTEY-UHFFFAOYSA-N -1 3 261.365 3.308 20 0 CGADHM O=C(OCCCc1ccncc1)c1cccc(Cl)c1[O-] ZINC000778330625 628341889 /nfs/dbraw/zinc/34/18/89/628341889.db2.gz KYFFXQHPPHYGIO-UHFFFAOYSA-N -1 3 291.734 3.230 20 0 CGADHM O=C1[N-]C(=O)C(=Cc2ccc(F)c3ccccc23)S1 ZINC000874929782 634655621 /nfs/dbraw/zinc/65/56/21/634655621.db2.gz PMSJBJSFBKSJLS-KPKJPENVSA-N -1 3 273.288 3.303 20 0 CGADHM O=C(OCc1csc(C2CC2)n1)c1ccc([O-])cc1 ZINC000782007479 628609565 /nfs/dbraw/zinc/60/95/65/628609565.db2.gz VBXMETKHLURZGJ-UHFFFAOYSA-N -1 3 275.329 3.083 20 0 CGADHM Cc1nc(C)c(COC(=O)c2cc3occc3[n-]2)s1 ZINC000786031069 628908759 /nfs/dbraw/zinc/90/87/59/628908759.db2.gz IWRHRGRMXLNNSM-UHFFFAOYSA-N -1 3 276.317 3.191 20 0 CGADHM CC(C)OCCOC(=O)c1cc2sccc2c([O-])c1 ZINC000786138864 628915685 /nfs/dbraw/zinc/91/56/85/628915685.db2.gz CBSHGMZQQZZXID-UHFFFAOYSA-N -1 3 280.345 3.189 20 0 CGADHM O=C(OCC(F)F)c1cc2sccc2c([O-])c1 ZINC000786131146 628915745 /nfs/dbraw/zinc/91/57/45/628915745.db2.gz LSLHSDVZKFCRGN-UHFFFAOYSA-N -1 3 258.245 3.029 20 0 CGADHM O=C(CCCc1ccc([O-])c(F)c1)NCCC1CCC1 ZINC000787113379 628990540 /nfs/dbraw/zinc/99/05/40/628990540.db2.gz IXXANICPNJXZAR-UHFFFAOYSA-N -1 3 279.355 3.160 20 0 CGADHM CC[C@@H](C)COC(=O)CCCc1ccc([O-])c(F)c1 ZINC000787842847 629032228 /nfs/dbraw/zinc/03/22/28/629032228.db2.gz DDCYNXOOHMOCBN-LLVKDONJSA-N -1 3 268.328 3.443 20 0 CGADHM O=C(CCCc1ccc([O-])c(F)c1)OCc1cscn1 ZINC000787846421 629032572 /nfs/dbraw/zinc/03/25/72/629032572.db2.gz WUWVSPYSZXJTTN-UHFFFAOYSA-N -1 3 295.335 3.054 20 0 CGADHM C[C@H](NC(=O)c1cc2sccc2c([O-])c1)c1ccccn1 ZINC000788269781 629043953 /nfs/dbraw/zinc/04/39/53/629043953.db2.gz HSHVBNDIECZXBC-JTQLQIEISA-N -1 3 298.367 3.493 20 0 CGADHM 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CGADHM Cc1cc(C)c(C)c(OCCC(=O)[N-]OC/C=C\Cl)c1 ZINC000794297670 629530924 /nfs/dbraw/zinc/53/09/24/629530924.db2.gz SFOVLFAEKUGRNT-XQRVVYSFSA-N -1 3 297.782 3.181 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)CCC(=O)c1ccc(C)c(C)c1 ZINC000794853155 629588687 /nfs/dbraw/zinc/58/86/87/629588687.db2.gz LYFXPQRUEOYBME-GFCCVEGCSA-N -1 3 291.391 3.360 20 0 CGADHM CC(C)C[C@@H](CNCc1nc(C(C)(C)C)cs1)C(=O)[O-] ZINC000864514107 629850069 /nfs/dbraw/zinc/85/00/69/629850069.db2.gz OEZZMJDBGOGTSK-NSHDSACASA-N -1 3 298.452 3.277 20 0 CGADHM CC(C)[C@H](Cc1ccccc1)C(=O)[N-]O[C@@H]1CCCCO1 ZINC000120470709 630040292 /nfs/dbraw/zinc/04/02/92/630040292.db2.gz LYKBAXHVAVADCH-JKSUJKDBSA-N -1 3 291.391 3.076 20 0 CGADHM CCC[C@@H](O)CCCS[C@@H](C)c1nc(C)cc(=O)[n-]1 ZINC000865379842 630089231 /nfs/dbraw/zinc/08/92/31/630089231.db2.gz BFOFKWDPLYYOBS-NWDGAFQWSA-N -1 3 284.425 3.226 20 0 CGADHM COc1ccccc1CO[N-]C(=O)Cc1ccc(C)c(C)c1 ZINC000799092381 630141741 /nfs/dbraw/zinc/14/17/41/630141741.db2.gz NOYQQBZRGXLONL-UHFFFAOYSA-N -1 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PZPXCEKKNBDZOD-UHFFFAOYSA-N -1 3 269.728 3.040 20 0 CGADHM CC(C)c1ccc(CCC(=O)[N-]OC2CCC2)cc1 ZINC000812787687 631308159 /nfs/dbraw/zinc/30/81/59/631308159.db2.gz DCIVVLHBNICMQD-UHFFFAOYSA-N -1 3 261.365 3.343 20 0 CGADHM CC[C@H](CC(=O)[N-]OC1CCC1)c1ccc(C)cc1 ZINC000812791154 631311055 /nfs/dbraw/zinc/31/10/55/631311055.db2.gz PXAXZLRISLDRRE-CYBMUJFWSA-N -1 3 261.365 3.479 20 0 CGADHM Cc1cccc2c1[C@@H](C)C[C@@H]2CC(=O)[N-]OCC1CC1 ZINC000817335195 632124710 /nfs/dbraw/zinc/12/47/10/632124710.db2.gz YTGSOHYGELMUJX-GXTWGEPZSA-N -1 3 273.376 3.434 20 0 CGADHM COc1ccc(CCCCCC(=O)[N-]OCC2CC2)cc1 ZINC000817355381 632129879 /nfs/dbraw/zinc/12/98/79/632129879.db2.gz XQBQYYHOEUAAPE-UHFFFAOYSA-N -1 3 291.391 3.256 20 0 CGADHM Cc1cc(C)cc(CCC(=O)[N-]OCCC2CC2)c1 ZINC000817429969 632154047 /nfs/dbraw/zinc/15/40/47/632154047.db2.gz OYSZYXFRZUGKFK-UHFFFAOYSA-N -1 3 261.365 3.084 20 0 CGADHM Nc1ccc(C(=O)N2CCCCCc3ccccc32)c([O-])c1 ZINC000817952260 632247553 /nfs/dbraw/zinc/24/75/53/632247553.db2.gz DEMTWPLBYBLJEN-UHFFFAOYSA-N -1 3 296.370 3.348 20 0 CGADHM CCCO[N-]C(=O)CCc1ccc(Cl)cc1Cl ZINC000844083956 635817532 /nfs/dbraw/zinc/81/75/32/635817532.db2.gz WAWAWJNCSJWRQY-UHFFFAOYSA-N -1 3 276.163 3.384 20 0 CGADHM O=C(CCc1cccc(OC(F)F)c1)[N-]OC1CCCC1 ZINC000819462649 632463934 /nfs/dbraw/zinc/46/39/34/632463934.db2.gz KMAMJIZTXROFNT-UHFFFAOYSA-N -1 3 299.317 3.211 20 0 CGADHM [O-]c1ccc(CN[C@@H]2c3ccccc3OC[C@H]2F)cc1F ZINC000866268797 633054976 /nfs/dbraw/zinc/05/49/76/633054976.db2.gz HBOVTNOLFDNGRQ-CZUORRHYSA-N -1 3 291.297 3.093 20 0 CGADHM CC(C(=O)Nc1cc(Cl)ccc1[O-])=C1CCC1 ZINC000827501178 633495084 /nfs/dbraw/zinc/49/50/84/633495084.db2.gz HYEYVWXDAWQXRB-UHFFFAOYSA-N -1 3 251.713 3.485 20 0 CGADHM CCC[C@H](C)CC(=O)[N-]OCCCC(F)(F)F ZINC000871211331 633727601 /nfs/dbraw/zinc/72/76/01/633727601.db2.gz OUENMPSDKLKUNI-VIFPVBQESA-N -1 3 255.280 3.203 20 0 CGADHM O=C(CCCc1cccs1)[N-]OCCCC(F)(F)F ZINC000871209919 633727872 /nfs/dbraw/zinc/72/78/72/633727872.db2.gz LTMJRJGVDUCKRY-UHFFFAOYSA-N -1 3 295.326 3.461 20 0 CGADHM O=C(Cc1ccc(Cl)cc1)[N-]OCCCC(F)(F)F ZINC000871209932 633727986 /nfs/dbraw/zinc/72/79/86/633727986.db2.gz MIOQAFWUQZYCNA-UHFFFAOYSA-N -1 3 295.688 3.273 20 0 CGADHM C/C(=C/c1ccco1)C(=O)[N-]OCCCC(F)(F)F ZINC000871216766 633731260 /nfs/dbraw/zinc/73/12/60/633731260.db2.gz FWEBUPNBAFQJGI-HJWRWDBZSA-N -1 3 277.242 3.073 20 0 CGADHM CC(C)(C)CC(=O)[N-]OCc1cc(C(F)(F)F)co1 ZINC000871753878 633852622 /nfs/dbraw/zinc/85/26/22/633852622.db2.gz ZOSGJVYQYDRTST-UHFFFAOYSA-N -1 3 279.258 3.282 20 0 CGADHM C[C@@H](N[C@@H](C)c1cccc([O-])c1F)c1cccnc1 ZINC000872019425 633939695 /nfs/dbraw/zinc/93/96/95/633939695.db2.gz WPDSDNUHNZCCOF-MNOVXSKESA-N -1 3 260.312 3.338 20 0 CGADHM Cc1cccc(CN[C@@H](C)c2cccc([O-])c2F)n1 ZINC000872024356 633944943 /nfs/dbraw/zinc/94/49/43/633944943.db2.gz QRKBGLPNYIMYBS-NSHDSACASA-N -1 3 260.312 3.086 20 0 CGADHM C[C@@H](Nc1cnn(CC(F)F)c1)c1cccc([O-])c1F ZINC000872056082 633978805 /nfs/dbraw/zinc/97/88/05/633978805.db2.gz OLQLIYSGBUHOSA-MRVPVSSYSA-N -1 3 285.269 3.166 20 0 CGADHM C[C@H](N[C@H]1C[C@H](C)n2ccnc21)c1cccc([O-])c1F ZINC000872076854 634000745 /nfs/dbraw/zinc/00/07/45/634000745.db2.gz UNQQBPLVIWTVSF-NHCYSSNCSA-N -1 3 275.327 3.084 20 0 CGADHM CCn1ncc(N[C@@H](C)c2cccc([O-])c2F)c1C ZINC000872139890 634063525 /nfs/dbraw/zinc/06/35/25/634063525.db2.gz RXBJKPBFGVYIMY-VIFPVBQESA-N -1 3 263.316 3.229 20 0 CGADHM CC[C@H](OC(=O)c1cc2cc(Cl)sc2[n-]1)C(C)=O ZINC000873393703 634357374 /nfs/dbraw/zinc/35/73/74/634357374.db2.gz IUSXQARICAAYRH-VIFPVBQESA-N -1 3 285.752 3.407 20 0 CGADHM CCC1(C(=O)OCc2cc(=O)[n-]c(-c3ccccc3)n2)CC1 ZINC000837561771 634935710 /nfs/dbraw/zinc/93/57/10/634935710.db2.gz JZFQCSQTDRSKTL-UHFFFAOYSA-N -1 3 298.342 3.083 20 0 CGADHM [O-]c1ccc(F)c(CN2CC[C@H](C3CCC3)C2)c1F ZINC000840977980 635099147 /nfs/dbraw/zinc/09/91/47/635099147.db2.gz LGMUUQJJTQAQLR-NSHDSACASA-N -1 3 267.319 3.292 20 0 CGADHM O=C(CCC1CCCCC1)[N-]OCC1CC(F)(F)C1 ZINC000842028771 635258246 /nfs/dbraw/zinc/25/82/46/635258246.db2.gz ROVAOKZQZADKES-UHFFFAOYSA-N -1 3 275.339 3.440 20 0 CGADHM CSc1ccc(CCCC(=O)[N-]OCC(F)F)cc1 ZINC000843854023 635789183 /nfs/dbraw/zinc/78/91/83/635789183.db2.gz MHWSLCDLSYWZEB-UHFFFAOYSA-N -1 3 289.347 3.044 20 0 CGADHM CCCO[N-]C(=O)CCCOc1cccc2ccccc21 ZINC000844082655 635816156 /nfs/dbraw/zinc/81/61/56/635816156.db2.gz MXNJHIYSAGYGSA-UHFFFAOYSA-N -1 3 287.359 3.457 20 0 CGADHM Cc1cccc([O-])c1C(=O)N[C@@H]1CCSC(C)(C)C1 ZINC000888792086 635879382 /nfs/dbraw/zinc/87/93/82/635879382.db2.gz DCQAJEWGKGYSNG-LLVKDONJSA-N -1 3 279.405 3.105 20 0 CGADHM Cc1cccc(OCCCNC(=O)c2ccc(C)cc2[O-])c1 ZINC000024239629 636056223 /nfs/dbraw/zinc/05/62/23/636056223.db2.gz SVQQCGGHHDRRRB-UHFFFAOYSA-N -1 3 299.370 3.208 20 0 CGADHM O=C(/C=C/c1cccs1)Nc1cccc([O-])c1F ZINC000128957551 636101184 /nfs/dbraw/zinc/10/11/84/636101184.db2.gz UIDGXUBIVHTFFA-VOTSOKGWSA-N -1 3 263.293 3.245 20 0 CGADHM C=C/C=C/CCSc1nc(=O)cc([O-])n1C1CCCC1 ZINC000882096036 636254284 /nfs/dbraw/zinc/25/42/84/636254284.db2.gz GXLKJYASYKWRGT-ONEGZZNKSA-N -1 3 292.404 3.288 20 0 CGADHM COC(=O)c1cnc(SCC[C@@H]2CCCC2(F)F)[n-]1 ZINC000882155514 636272438 /nfs/dbraw/zinc/27/24/38/636272438.db2.gz IOTQDIVEEUIYAT-QMMMGPOBSA-N -1 3 290.335 3.114 20 0 CGADHM CC(C)(C)c1coc([N-]C(=O)c2scnc2Cl)n1 ZINC000847106679 636339015 /nfs/dbraw/zinc/33/90/15/636339015.db2.gz SBNDDZZZKKTJTK-UHFFFAOYSA-N -1 3 285.756 3.334 20 0 CGADHM Cc1csc(S(=O)(=O)[N-]CC(C)(C)CC(F)F)c1 ZINC000882577488 636360801 /nfs/dbraw/zinc/36/08/01/636360801.db2.gz IJLJXUZMMVXVKA-UHFFFAOYSA-N -1 3 297.392 3.016 20 0 CGADHM O=c1ccnc(C=Cc2c(Cl)cccc2Cl)[n-]1 ZINC000131801178 636753321 /nfs/dbraw/zinc/75/33/21/636753321.db2.gz MNODNVLGPHOPCF-SNAWJCMRSA-N -1 3 267.115 3.247 20 0 CGADHM CCCOc1ccc(C=Cc2nccc(=O)[n-]2)c(C)c1 ZINC000849245281 636776776 /nfs/dbraw/zinc/77/67/76/636776776.db2.gz QDNSFLOLZSPEAH-ALCCZGGFSA-N -1 3 270.332 3.450 20 0 CGADHM C[C@H](c1cc2ccccc2o1)N1CCC[C@@H]1C(=O)[O-] ZINC000086726598 636782559 /nfs/dbraw/zinc/78/25/59/636782559.db2.gz NTALVNZOCHWCBX-ZYHUDNBSSA-N -1 3 259.305 3.043 20 0 CGADHM CCCCCCN1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000087612468 636795883 /nfs/dbraw/zinc/79/58/83/636795883.db2.gz KLSVTYVROSWLEM-OAHLLOKOSA-N -1 3 261.365 3.251 20 0 CGADHM C[C@@H](OC(=O)c1cccc2nn[n-]c21)c1ccc(F)cc1 ZINC000800208210 636957905 /nfs/dbraw/zinc/95/79/05/636957905.db2.gz JYPOPVBYUMUVMV-SECBINFHSA-N -1 3 285.278 3.015 20 0 CGADHM C[C@@H](OC(=O)c1cccc2[n-]nnc21)c1ccc(F)cc1 ZINC000800208210 636957910 /nfs/dbraw/zinc/95/79/10/636957910.db2.gz JYPOPVBYUMUVMV-SECBINFHSA-N -1 3 285.278 3.015 20 0 CGADHM C[C@@H](OC(=O)c1cccc2n[n-]nc21)c1ccc(F)cc1 ZINC000800208210 636957915 /nfs/dbraw/zinc/95/79/15/636957915.db2.gz JYPOPVBYUMUVMV-SECBINFHSA-N -1 3 285.278 3.015 20 0 CGADHM O=C(OCc1ccc(Cl)s1)c1cccc2nn[n-]c21 ZINC000800208682 636958475 /nfs/dbraw/zinc/95/84/75/636958475.db2.gz NXTRIZGMUAIKOJ-UHFFFAOYSA-N -1 3 293.735 3.030 20 0 CGADHM O=C(OCc1ccc(Cl)s1)c1cccc2[n-]nnc21 ZINC000800208682 636958481 /nfs/dbraw/zinc/95/84/81/636958481.db2.gz NXTRIZGMUAIKOJ-UHFFFAOYSA-N -1 3 293.735 3.030 20 0 CGADHM O=C(OCc1ccc(Cl)s1)c1cccc2n[n-]nc21 ZINC000800208682 636958484 /nfs/dbraw/zinc/95/84/84/636958484.db2.gz NXTRIZGMUAIKOJ-UHFFFAOYSA-N -1 3 293.735 3.030 20 0 CGADHM O=C(OCc1cc2ccccc2o1)c1cccc2nn[n-]c21 ZINC000800208501 636958519 /nfs/dbraw/zinc/95/85/19/636958519.db2.gz MBBWBUJVJRXCKO-UHFFFAOYSA-N -1 3 293.282 3.061 20 0 CGADHM O=C(OCc1cc2ccccc2o1)c1cccc2[n-]nnc21 ZINC000800208501 636958526 /nfs/dbraw/zinc/95/85/26/636958526.db2.gz MBBWBUJVJRXCKO-UHFFFAOYSA-N -1 3 293.282 3.061 20 0 CGADHM O=C(OCc1cc2ccccc2o1)c1cccc2n[n-]nc21 ZINC000800208501 636958530 /nfs/dbraw/zinc/95/85/30/636958530.db2.gz MBBWBUJVJRXCKO-UHFFFAOYSA-N -1 3 293.282 3.061 20 0 CGADHM CCc1c(=O)n([C@H]2CCCSC2)[n-]c1-c1ccccc1 ZINC000887299411 637793308 /nfs/dbraw/zinc/79/33/08/637793308.db2.gz YXOQIJRKBYMHEP-KBPBESRZSA-N -1 3 288.416 3.155 20 0 CGADHM CC(F)(F)C(=O)[N-]Cc1ccc(Cl)c(Cl)c1 ZINC000853842313 637939078 /nfs/dbraw/zinc/93/90/78/637939078.db2.gz NLDHWGPLCKRKBA-UHFFFAOYSA-N -1 3 268.090 3.265 20 0 CGADHM CSc1ccc([O-])c(C(=O)N2CCC[C@](C)(F)C2)c1 ZINC000854679777 638085975 /nfs/dbraw/zinc/08/59/75/638085975.db2.gz MPCKKTOWIXFUKC-AWEZNQCLSA-N -1 3 283.368 3.078 20 0 CGADHM COCCCCOC(=O)c1cccc2[n-]c(C(F)F)nc21 ZINC000924085523 638296822 /nfs/dbraw/zinc/29/68/22/638296822.db2.gz IPWRHPATUXAMLS-UHFFFAOYSA-N -1 3 298.289 3.084 20 0 CGADHM CC(C)c1cccc(CC(=O)[N-]OCC2CCC2)c1 ZINC000856343941 638345825 /nfs/dbraw/zinc/34/58/25/638345825.db2.gz FSNKGZSQKHPYHK-UHFFFAOYSA-N -1 3 261.365 3.200 20 0 CGADHM C/C=C/COc1cccc(CC(=O)[N-]OCC2CCC2)c1 ZINC000856352023 638350825 /nfs/dbraw/zinc/35/08/25/638350825.db2.gz UQRHGFIHSSFBAR-NSCUHMNNSA-N -1 3 289.375 3.032 20 0 CGADHM CCCC[C@@H](C(=O)[N-]O[C@@H]1CCCCO1)C(C)C ZINC000857089709 638456130 /nfs/dbraw/zinc/45/61/30/638456130.db2.gz BSEXLMKIUJNJGW-CHWSQXEVSA-N -1 3 257.374 3.023 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC000927324207 638854597 /nfs/dbraw/zinc/85/45/97/638854597.db2.gz XTSHLYATWCMAAQ-BEFAXECRSA-N -1 3 293.366 3.114 20 0 CGADHM O=C(OC/C=C\Cl)c1cc(Cl)c(Cl)[n-]1 ZINC000928966016 638896272 /nfs/dbraw/zinc/89/62/72/638896272.db2.gz CFEMNUHWSWEGCE-UPHRSURJSA-N -1 3 254.500 3.231 20 0 CGADHM Cc1ccoc1CN(C)C[C@@H](C)C(=O)c1ccc([O-])cc1 ZINC000930554340 639024404 /nfs/dbraw/zinc/02/44/04/639024404.db2.gz JHQUGNBBWAYUNV-CYBMUJFWSA-N -1 3 287.359 3.244 20 0 CGADHM Cc1nc2c(c(=O)[n-]1)CN([C@H](C)c1cccc(Cl)c1)C2 ZINC000931316993 639134744 /nfs/dbraw/zinc/13/47/44/639134744.db2.gz HXCUIFQHQCVWJW-SECBINFHSA-N -1 3 289.766 3.221 20 0 CGADHM CCCCN(CC)Cn1[n-]c(-c2ccccn2)nc1=S ZINC000117319165 639312029 /nfs/dbraw/zinc/31/20/29/639312029.db2.gz IXOHBHISXHSSFE-UHFFFAOYSA-N -1 3 291.424 3.082 20 0 CGADHM [O-]C(=NO[C@H]1CCCCO1)Nc1ccc(C(F)F)cc1 ZINC000933104668 639419482 /nfs/dbraw/zinc/41/94/82/639419482.db2.gz SKEROIVHFVWZTH-NSHDSACASA-N -1 3 286.278 3.204 20 0 CGADHM O=C([N-]O[C@H]1CCCCO1)Nc1ccc(C(F)F)cc1 ZINC000933104668 639419486 /nfs/dbraw/zinc/41/94/86/639419486.db2.gz SKEROIVHFVWZTH-NSHDSACASA-N -1 3 286.278 3.204 20 0 CGADHM Cc1cccc([O-])c1C(=O)NCC[C@@]1(C)C[C@@]1(F)Cl ZINC000862124406 639647890 /nfs/dbraw/zinc/64/78/90/639647890.db2.gz LWYYCEYVEZGGTB-KBPBESRZSA-N -1 3 285.746 3.135 20 0 CGADHM CC(C)[C@H]1C[C@H](C(=O)Nc2ccc(Cl)cc2[O-])CCO1 ZINC000935101168 639747805 /nfs/dbraw/zinc/74/78/05/639747805.db2.gz VTOZASFTTCZOKC-QMTHXVAHSA-N -1 3 297.782 3.435 20 0 CGADHM CC(C)[C@@H]1C[C@H](C(=O)Nc2ccc(Cl)cc2[O-])CCO1 ZINC000935101170 639748652 /nfs/dbraw/zinc/74/86/52/639748652.db2.gz VTOZASFTTCZOKC-YGRLFVJLSA-N -1 3 297.782 3.435 20 0 CGADHM COc1ccccc1CO[N-]C(=O)C[C@@H]1CCCC1(F)F ZINC000935813212 639864204 /nfs/dbraw/zinc/86/42/04/639864204.db2.gz WOZMVLQLKZGHBI-LBPRGKRZSA-N -1 3 299.317 3.069 20 0 CGADHM CC(=O)c1cccc(NC(=O)C[C@H]2CCCC2(F)F)c1[O-] ZINC000935985701 639877893 /nfs/dbraw/zinc/87/78/93/639877893.db2.gz KKTYAQOKMMFZGY-SNVBAGLBSA-N -1 3 297.301 3.359 20 0 CGADHM CCc1cccc(C)c1NC([O-])=NO[C@@H]1CCCCO1 ZINC000155411836 639933530 /nfs/dbraw/zinc/93/35/30/639933530.db2.gz BCVZWAICXIIJME-CYBMUJFWSA-N -1 3 278.352 3.137 20 0 CGADHM CCc1cccc(C)c1NC(=O)[N-]O[C@@H]1CCCCO1 ZINC000155411836 639933542 /nfs/dbraw/zinc/93/35/42/639933542.db2.gz BCVZWAICXIIJME-CYBMUJFWSA-N -1 3 278.352 3.137 20 0 CGADHM COc1ccc(F)cc1CNCc1cccc(Cl)c1[O-] ZINC000189697131 640203993 /nfs/dbraw/zinc/20/39/93/640203993.db2.gz JEYVCTHVPWUZSG-UHFFFAOYSA-N -1 3 295.741 3.483 20 0 CGADHM O=C([N-]c1ccc(F)nc1F)c1c(F)cc(F)cc1F ZINC000191650492 640324705 /nfs/dbraw/zinc/32/47/05/640324705.db2.gz XEFNOWKGCPPWOO-UHFFFAOYSA-N -1 3 288.175 3.029 20 0 CGADHM Cc1cc2nc(-c3cccc(-c4nnn[n-]4)c3)[nH]c2cc1C ZINC001250816451 805780914 /nfs/dbraw/zinc/78/09/14/805780914.db2.gz DQNYAOXSGVRFEX-UHFFFAOYSA-N -1 3 290.330 3.027 20 0 CGADHM Cc1cc2nc(-c3cccc(-c4nn[n-]n4)c3)[nH]c2cc1C ZINC001250816451 805780919 /nfs/dbraw/zinc/78/09/19/805780919.db2.gz DQNYAOXSGVRFEX-UHFFFAOYSA-N -1 3 290.330 3.027 20 0 CGADHM CN(C)c1ccc2nc(-c3cc(F)c(F)cc3[O-])[nH]c2c1 ZINC001250967648 805813335 /nfs/dbraw/zinc/81/33/35/805813335.db2.gz YKAKTTVIYARIRQ-UHFFFAOYSA-N -1 3 289.285 3.280 20 0 CGADHM [O-]c1cc(F)c(-c2nc3ccc(F)cc3[nH]2)cc1F ZINC001251012227 805827545 /nfs/dbraw/zinc/82/75/45/805827545.db2.gz XUZCAIHLYUVTQY-UHFFFAOYSA-N -1 3 264.206 3.353 20 0 CGADHM Cc1ccc(C(=O)NCC[C@H]2CCC(C)(C)CO2)c([O-])c1 ZINC001157529943 805827975 /nfs/dbraw/zinc/82/79/75/805827975.db2.gz FOXXLYWGUFGDEQ-CYBMUJFWSA-N -1 3 291.391 3.026 20 0 CGADHM Cn1c2cc(F)ccc2nc1-c1cccc([O-])c1F ZINC001251255759 805874679 /nfs/dbraw/zinc/87/46/79/805874679.db2.gz XWWGUPTUISKXOU-UHFFFAOYSA-N -1 3 260.243 3.224 20 0 CGADHM COc1cc2[nH]c(-c3cc([O-])cc(F)c3)nc2cc1F ZINC001251569907 805908117 /nfs/dbraw/zinc/90/81/17/805908117.db2.gz NSRJDHHKLXEXEM-UHFFFAOYSA-N -1 3 276.242 3.222 20 0 CGADHM COc1cc2nc(-c3cc([O-])cc(F)c3)[nH]c2cc1F ZINC001251569907 805908122 /nfs/dbraw/zinc/90/81/22/805908122.db2.gz NSRJDHHKLXEXEM-UHFFFAOYSA-N -1 3 276.242 3.222 20 0 CGADHM CCOc1ccc2[nH]c(-c3cc([O-])cc(F)c3)nc2c1 ZINC001251570025 805908182 /nfs/dbraw/zinc/90/81/82/805908182.db2.gz PZJODIJGAGMITF-UHFFFAOYSA-N -1 3 272.279 3.473 20 0 CGADHM COc1ccc(-c2nnc(-c3cccc(OC)c3[O-])o2)cc1 ZINC001251954663 805956568 /nfs/dbraw/zinc/95/65/68/805956568.db2.gz LVCPCAGFEFAUOX-UHFFFAOYSA-N -1 3 298.298 3.126 20 0 CGADHM COc1ccc(-c2nnc(-c3c(C)cc(O)cc3[O-])o2)cc1 ZINC001252029702 805976441 /nfs/dbraw/zinc/97/64/41/805976441.db2.gz UTMXYXOZUSEZGP-UHFFFAOYSA-N -1 3 298.298 3.132 20 0 CGADHM COc1ccc([O-])c(-c2nnc(-c3cccc(C)c3)o2)c1 ZINC001253613087 806273610 /nfs/dbraw/zinc/27/36/10/806273610.db2.gz UJUMJQALJXUXNJ-UHFFFAOYSA-N -1 3 282.299 3.426 20 0 CGADHM CC(C)[C@@H](O)CNc1ccc(Cl)c(Cl)c1[O-] ZINC001253772262 806305515 /nfs/dbraw/zinc/30/55/15/806305515.db2.gz FQNMRXLHVPZXSP-VIFPVBQESA-N -1 3 264.152 3.128 20 0 CGADHM CCCCS(=O)(=O)[N-]c1ccccc1OCCC ZINC001253864514 806317601 /nfs/dbraw/zinc/31/76/01/806317601.db2.gz SBGYULPFGOMLDK-UHFFFAOYSA-N -1 3 271.382 3.017 20 0 CGADHM [O-]c1cc(Cl)ccc1-n1cc(Cc2ccccc2)nn1 ZINC001254164931 806356369 /nfs/dbraw/zinc/35/63/69/806356369.db2.gz BRFBKYRHJQJZJB-UHFFFAOYSA-N -1 3 285.734 3.217 20 0 CGADHM CCc1ocnc1C(=O)[N-]c1cc(-c2cccs2)on1 ZINC001161593714 806395144 /nfs/dbraw/zinc/39/51/44/806395144.db2.gz HIYFDKRFPLGHQZ-UHFFFAOYSA-N -1 3 289.316 3.206 20 0 CGADHM [O-]c1ccc(O)cc1-c1nnc([C@@H]2C[C@H]2c2ccccc2)o1 ZINC001254682857 806484945 /nfs/dbraw/zinc/48/49/45/806484945.db2.gz NDPLCQAPDGCVFA-QWHCGFSZSA-N -1 3 294.310 3.419 20 0 CGADHM [O-]c1ccc(CNc2nc3ccc(F)cc3o2)cc1F ZINC001162598780 806627459 /nfs/dbraw/zinc/62/74/59/806627459.db2.gz YKNVEVDVQWDHOP-UHFFFAOYSA-N -1 3 276.242 3.424 20 0 CGADHM CC1(C)C[C@]1(C)CNC(=O)c1cc([O-])ccc1Cl ZINC000702373860 799910005 /nfs/dbraw/zinc/91/00/05/799910005.db2.gz QUSBZBCWWYOZIH-CQSZACIVSA-N -1 3 267.756 3.212 20 0 CGADHM C[C@@H]1C[C@@H]1[C@H]1C[C@H]1CNC(=O)c1cc([O-])ccc1Cl ZINC000717044935 800191081 /nfs/dbraw/zinc/19/10/81/800191081.db2.gz AYJJYKYBUALOFW-QCZKYFFMSA-N -1 3 279.767 3.068 20 0 CGADHM O=C(NC1CCC=CCC1)c1cc([O-])ccc1Cl ZINC000718075931 800210930 /nfs/dbraw/zinc/21/09/30/800210930.db2.gz CEWDECUQVILPEQ-UHFFFAOYSA-N -1 3 265.740 3.274 20 0 CGADHM CCCCCCc1nnc(-c2ccc3[nH][n-]c(=O)c3c2)o1 ZINC001256329948 806859948 /nfs/dbraw/zinc/85/99/48/806859948.db2.gz AYIOOTLANUPHOD-UHFFFAOYSA-N -1 3 286.335 3.441 20 0 CGADHM O=S(=O)([N-][C@@H]1CC12CCCC2)c1ccc(Cl)s1 ZINC001256547647 806915193 /nfs/dbraw/zinc/91/51/93/806915193.db2.gz DZEKMSBSHMLGTD-MRVPVSSYSA-N -1 3 291.825 3.013 20 0 CGADHM Cc1ccc(Nc2cc([O-])c(F)cc2F)cc1O ZINC001211699898 814933853 /nfs/dbraw/zinc/93/38/53/814933853.db2.gz PCLLPADDLOTGCO-UHFFFAOYSA-N -1 3 251.232 3.428 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)N(C)Cc2cc3ccccc3[nH]2)n1 ZINC001116861247 802421133 /nfs/dbraw/zinc/42/11/33/802421133.db2.gz ZTUZFSMBMPHEOC-GFCCVEGCSA-N -1 3 296.374 3.165 20 0 CGADHM COc1ccc2c(CC(=O)[N-]OC(C)(C)C)coc2c1C ZINC001119258956 802639922 /nfs/dbraw/zinc/63/99/22/802639922.db2.gz FIEDVIDDAVHDRD-UHFFFAOYSA-N -1 3 291.347 3.139 20 0 CGADHM CCCCCCNC(=S)Nc1ncc([O-])cc1Cl ZINC001200951548 811771795 /nfs/dbraw/zinc/77/17/95/811771795.db2.gz YTWCRXYPAQIGAO-UHFFFAOYSA-N -1 3 287.816 3.307 20 0 CGADHM Cc1ccc2c(cccc2-c2ccccc2-c2nnn[n-]2)n1 ZINC001243743387 802979438 /nfs/dbraw/zinc/97/94/38/802979438.db2.gz OEIHYYBDYKNMQV-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM Cc1ccc2c(cccc2-c2ccccc2-c2nn[n-]n2)n1 ZINC001243743387 802979442 /nfs/dbraw/zinc/97/94/42/802979442.db2.gz OEIHYYBDYKNMQV-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM O=C([N-]c1cc(F)cc(F)c1)c1ocnc1C(F)F ZINC001124655198 803033101 /nfs/dbraw/zinc/03/31/01/803033101.db2.gz LTIGKGUDBKYKAV-UHFFFAOYSA-N -1 3 274.173 3.143 20 0 CGADHM Nc1ncc2cc(-c3ccc4c(c3)[N-]C(=S)C4)ccc2n1 ZINC001243996187 803129123 /nfs/dbraw/zinc/12/91/23/803129123.db2.gz JURMOOYPMVUGEX-UHFFFAOYSA-N -1 3 292.367 3.174 20 0 CGADHM CON(C)C(=O)c1ccccc1-c1c([O-])cccc1Cl ZINC001244049368 803160779 /nfs/dbraw/zinc/16/07/79/803160779.db2.gz YSEBJTSNIOGDGR-UHFFFAOYSA-N -1 3 291.734 3.346 20 0 CGADHM [O-]c1cccc(Cl)c1-c1cnc(N2CCCCC2)nc1 ZINC001244052436 803162563 /nfs/dbraw/zinc/16/25/63/803162563.db2.gz VVNHVZZTNNFWGJ-UHFFFAOYSA-N -1 3 289.766 3.493 20 0 CGADHM Cc1ncc(C2CC2)cc1-c1ccccc1-c1nnn[n-]1 ZINC001244140141 803205092 /nfs/dbraw/zinc/20/50/92/803205092.db2.gz IFNKVBLWXUICTO-UHFFFAOYSA-N -1 3 277.331 3.115 20 0 CGADHM Cc1ncc(C2CC2)cc1-c1ccccc1-c1nn[n-]n1 ZINC001244140141 803205099 /nfs/dbraw/zinc/20/50/99/803205099.db2.gz IFNKVBLWXUICTO-UHFFFAOYSA-N -1 3 277.331 3.115 20 0 CGADHM COC(=O)Cc1cccc(-c2ccc3c(c2)[N-]C(=S)C3)c1 ZINC001244218673 803245786 /nfs/dbraw/zinc/24/57/86/803245786.db2.gz CDSSUDXVBPQLTO-UHFFFAOYSA-N -1 3 297.379 3.365 20 0 CGADHM CC(C)c1ccc(N)c(-c2cccc(-c3nnn[n-]3)c2)c1 ZINC001244225767 803248914 /nfs/dbraw/zinc/24/89/14/803248914.db2.gz BNSKJLWWGAKUNH-UHFFFAOYSA-N -1 3 279.347 3.239 20 0 CGADHM CC(C)c1ccc(N)c(-c2cccc(-c3nn[n-]n3)c2)c1 ZINC001244225767 803248919 /nfs/dbraw/zinc/24/89/19/803248919.db2.gz BNSKJLWWGAKUNH-UHFFFAOYSA-N -1 3 279.347 3.239 20 0 CGADHM Cc1cc2cc(-c3cc(-c4nnn[n-]4)ccc3F)ccc2[nH]1 ZINC001244243234 803260113 /nfs/dbraw/zinc/26/01/13/803260113.db2.gz RMUSPBVDQHYGIX-UHFFFAOYSA-N -1 3 293.305 3.463 20 0 CGADHM Cc1cc2cc(-c3cc(-c4nn[n-]n4)ccc3F)ccc2[nH]1 ZINC001244243234 803260118 /nfs/dbraw/zinc/26/01/18/803260118.db2.gz RMUSPBVDQHYGIX-UHFFFAOYSA-N -1 3 293.305 3.463 20 0 CGADHM CCOc1cc(-c2ccc(Cc3nnn[n-]3)cc2)ccc1C ZINC001244441838 803366685 /nfs/dbraw/zinc/36/66/85/803366685.db2.gz HJGLJLOQAUYPRS-UHFFFAOYSA-N -1 3 294.358 3.165 20 0 CGADHM CCOc1cc(-c2ccc(Cc3nn[n-]n3)cc2)ccc1C ZINC001244441838 803366691 /nfs/dbraw/zinc/36/66/91/803366691.db2.gz HJGLJLOQAUYPRS-UHFFFAOYSA-N -1 3 294.358 3.165 20 0 CGADHM CCc1nccnc1-c1cc(OC(F)(F)F)ccc1[O-] ZINC001244457206 803378477 /nfs/dbraw/zinc/37/84/77/803378477.db2.gz XLUODWSQGQHHGQ-UHFFFAOYSA-N -1 3 284.237 3.310 20 0 CGADHM [O-]c1ccc(OC(F)(F)F)cc1-c1nccc2nc[nH]c21 ZINC001244455802 803378602 /nfs/dbraw/zinc/37/86/02/803378602.db2.gz HJHMUSNYFYDXOW-UHFFFAOYSA-N -1 3 295.220 3.229 20 0 CGADHM COCc1ccc(-c2cc(OC(F)(F)F)ccc2[O-])nc1 ZINC001244458328 803379536 /nfs/dbraw/zinc/37/95/36/803379536.db2.gz HICLTOADVUXQHI-UHFFFAOYSA-N -1 3 299.248 3.499 20 0 CGADHM [O-]c1cc(OC(F)(F)F)ccc1-c1cc2[nH]cnc2cn1 ZINC001244464508 803380620 /nfs/dbraw/zinc/38/06/20/803380620.db2.gz QAIULWNDMAVKSH-UHFFFAOYSA-N -1 3 295.220 3.229 20 0 CGADHM [O-]c1cc(OC(F)(F)F)ccc1-c1cc2nc[nH]c2cn1 ZINC001244464508 803380627 /nfs/dbraw/zinc/38/06/27/803380627.db2.gz QAIULWNDMAVKSH-UHFFFAOYSA-N -1 3 295.220 3.229 20 0 CGADHM COC(=O)c1ccc(-c2ccc(Cl)cc2[O-])cc1 ZINC001244469815 803386195 /nfs/dbraw/zinc/38/61/95/803386195.db2.gz QWPRBOVJMWIWSX-UHFFFAOYSA-N -1 3 262.692 3.499 20 0 CGADHM Cc1cc(C(N)=O)ccc1-c1ccc(Cl)cc1[O-] ZINC001244471253 803387176 /nfs/dbraw/zinc/38/71/76/803387176.db2.gz BMLZJULYVBGFFP-UHFFFAOYSA-N -1 3 261.708 3.120 20 0 CGADHM CN1CCc2cccc(-c3ccc(Cl)cc3[O-])c2C1=O ZINC001244472011 803388315 /nfs/dbraw/zinc/38/83/15/803388315.db2.gz JXYXAFNMXCQKQM-UHFFFAOYSA-N -1 3 287.746 3.341 20 0 CGADHM COc1cccc2c(-c3cc(C)c(F)c([O-])c3)ncnc12 ZINC001244494976 803402431 /nfs/dbraw/zinc/40/24/31/803402431.db2.gz AJQCJDVLLCVMEL-UHFFFAOYSA-N -1 3 284.290 3.459 20 0 CGADHM Cc1cc(-c2nccc(C(F)F)n2)cc([O-])c1F ZINC001244506152 803409700 /nfs/dbraw/zinc/40/97/00/803409700.db2.gz CUJMOUNSPCRLEH-UHFFFAOYSA-N -1 3 254.211 3.234 20 0 CGADHM Cc1cc(-c2cc(-c3ccncc3)ncn2)cc([O-])c1F ZINC001244508919 803411096 /nfs/dbraw/zinc/41/10/96/803411096.db2.gz UNDMFBMGCYPZCC-UHFFFAOYSA-N -1 3 281.290 3.359 20 0 CGADHM Cc1cc(-c2nccnc2OCC(C)C)cc([O-])c1F ZINC001244507581 803411381 /nfs/dbraw/zinc/41/13/81/803411381.db2.gz MHLGCFKZDYKVIY-UHFFFAOYSA-N -1 3 276.311 3.332 20 0 CGADHM CC[C@H](C)Oc1nccnc1-c1cc(C)c(F)c([O-])c1 ZINC001244506915 803411747 /nfs/dbraw/zinc/41/17/47/803411747.db2.gz JNYAYGRVCCEQHO-JTQLQIEISA-N -1 3 276.311 3.474 20 0 CGADHM Cc1cc(-c2ccnc(-c3nccs3)n2)cc([O-])c1F ZINC001244516703 803413373 /nfs/dbraw/zinc/41/33/73/803413373.db2.gz CCLZLNUDMJNQFF-UHFFFAOYSA-N -1 3 287.319 3.420 20 0 CGADHM COC(=O)c1c(OC)cccc1-c1cc(C)c(F)c([O-])c1 ZINC001244520900 803414706 /nfs/dbraw/zinc/41/47/06/803414706.db2.gz NZBFSZHBQCYNKI-UHFFFAOYSA-N -1 3 290.290 3.302 20 0 CGADHM COc1c(Nc2cc(=O)[n-]c(C3CC3)n2)ccc(F)c1F ZINC001211887785 814950813 /nfs/dbraw/zinc/95/08/13/814950813.db2.gz YNGXDGMISAORRU-UHFFFAOYSA-N -1 3 293.273 3.090 20 0 CGADHM COC(=O)c1cncc(-c2cc(Cl)ccc2[O-])c1C ZINC001245053205 803624198 /nfs/dbraw/zinc/62/41/98/803624198.db2.gz XSUPANPHPSADKF-UHFFFAOYSA-N -1 3 277.707 3.203 20 0 CGADHM COC(=O)c1cc(F)cnc1-c1ccc([O-])cc1Cl ZINC001245082527 803637197 /nfs/dbraw/zinc/63/71/97/803637197.db2.gz WLMCSSAHZIAOKP-UHFFFAOYSA-N -1 3 281.670 3.033 20 0 CGADHM CCC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(OC)cc1[O-] ZINC001136622920 803648808 /nfs/dbraw/zinc/64/88/08/803648808.db2.gz WSKCDRZDDCUFGG-WFASDCNBSA-N -1 3 291.391 3.490 20 0 CGADHM Cc1ccc(O[C@H](C)CNC(=O)c2c(C)cccc2[O-])cc1 ZINC001137010889 803670954 /nfs/dbraw/zinc/67/09/54/803670954.db2.gz GAVQYBXXNGEONO-CQSZACIVSA-N -1 3 299.370 3.206 20 0 CGADHM C[C@@H](C(=O)Nc1ccc(Cl)cc1[O-])c1ccncc1 ZINC001138014819 803825499 /nfs/dbraw/zinc/82/54/99/803825499.db2.gz DCVXUUVKJIFDTO-SECBINFHSA-N -1 3 276.723 3.183 20 0 CGADHM COC(=O)c1c(F)ccc(-c2c([O-])cccc2F)c1OC ZINC001245654767 803885691 /nfs/dbraw/zinc/88/56/91/803885691.db2.gz LDTHULMRVALRLM-UHFFFAOYSA-N -1 3 294.253 3.133 20 0 CGADHM O=c1cc(-c2c([O-])cccc2F)ccn1-c1ccccc1 ZINC001245654011 803886739 /nfs/dbraw/zinc/88/67/39/803886739.db2.gz INJVUCQJLJFRKM-UHFFFAOYSA-N -1 3 281.286 3.349 20 0 CGADHM [O-]c1cccc(F)c1-c1cnc(C(F)(F)F)nc1 ZINC001245655295 803888135 /nfs/dbraw/zinc/88/81/35/803888135.db2.gz XWXDUWBORZBSJR-UHFFFAOYSA-N -1 3 258.174 3.007 20 0 CGADHM [O-]c1cccc(F)c1-c1cc(F)c2nccnc2c1 ZINC001245655170 803888965 /nfs/dbraw/zinc/88/89/65/803888965.db2.gz JYSCWAWQHYMFBO-UHFFFAOYSA-N -1 3 258.227 3.281 20 0 CGADHM [O-]c1cccc(F)c1-c1ccccc1N1CCOCC1 ZINC001245656404 803890845 /nfs/dbraw/zinc/89/08/45/803890845.db2.gz QDJAFCIPOPUVKH-UHFFFAOYSA-N -1 3 273.307 3.035 20 0 CGADHM COc1cc(OC)c(-c2ccc(=S)[n-]n2)cc1Cl ZINC001245724522 803930070 /nfs/dbraw/zinc/93/00/70/803930070.db2.gz FZQYSHJRRNCDQK-UHFFFAOYSA-N -1 3 282.752 3.103 20 0 CGADHM Cc1ncc(Nc2ccc(OCC(C)C)cc2)c(=O)[n-]1 ZINC001212285885 815003088 /nfs/dbraw/zinc/00/30/88/815003088.db2.gz TXNJVDVGRQHOQO-UHFFFAOYSA-N -1 3 273.336 3.269 20 0 CGADHM CCC[C@@H](C(=O)c1ccccc1)N(C)Cc1ccncc1[O-] ZINC001140282366 804408626 /nfs/dbraw/zinc/40/86/26/804408626.db2.gz VQRXVGDXXYTCFD-INIZCTEOSA-N -1 3 298.386 3.271 20 0 CGADHM O=C([O-])c1ccccc1CN1CC[C@H]1c1ccccc1 ZINC001140503845 804449166 /nfs/dbraw/zinc/44/91/66/804449166.db2.gz PUOGNTUOVFKRMN-INIZCTEOSA-N -1 3 267.328 3.332 20 0 CGADHM O=C([O-])c1ccccc1CN1CC[C@@H]1c1ccccc1 ZINC001140503846 804449261 /nfs/dbraw/zinc/44/92/61/804449261.db2.gz PUOGNTUOVFKRMN-MRXNPFEDSA-N -1 3 267.328 3.332 20 0 CGADHM CCC1CCN(Cc2ccc([O-])c(F)c2F)CC1 ZINC001140889251 804541690 /nfs/dbraw/zinc/54/16/90/804541690.db2.gz DFECGIKBZPAWLU-UHFFFAOYSA-N -1 3 255.308 3.292 20 0 CGADHM CC[C@H]1CCCCN1Cc1ccc([O-])c(F)c1F ZINC001140892458 804543383 /nfs/dbraw/zinc/54/33/83/804543383.db2.gz NYFJMCFWJFSSPZ-NSHDSACASA-N -1 3 255.308 3.435 20 0 CGADHM CC[C@H]1CCC[C@@H]1CNC(=O)c1c(C)cccc1[O-] ZINC001140981184 804561178 /nfs/dbraw/zinc/56/11/78/804561178.db2.gz GOIPENMZQZCWDN-QWHCGFSZSA-N -1 3 261.365 3.257 20 0 CGADHM Cc1ccc(C2(CNC(=O)c3ccccc3[O-])CC2)c(C)c1 ZINC001141485483 804647746 /nfs/dbraw/zinc/64/77/46/804647746.db2.gz DULQZEOTYSLYIV-UHFFFAOYSA-N -1 3 295.382 3.471 20 0 CGADHM Cc1nnc([N-]c2cc(F)c(OC(F)F)c(F)c2)o1 ZINC001212443814 815029895 /nfs/dbraw/zinc/02/98/95/815029895.db2.gz NUXHFZMYTRYUMY-UHFFFAOYSA-N -1 3 277.177 3.001 20 0 CGADHM [O-]c1cc(Cl)c(CN2CCC[C@@H](O)CC2)c(Cl)c1 ZINC001142105726 804694699 /nfs/dbraw/zinc/69/46/99/804694699.db2.gz KZNPBUAZIGMWNJ-SECBINFHSA-N -1 3 290.190 3.046 20 0 CGADHM CN(Cc1c(Cl)cc([O-])cc1Cl)CC1(C)COC1 ZINC001142114832 804696904 /nfs/dbraw/zinc/69/69/04/804696904.db2.gz PTIHGTGECAKROJ-UHFFFAOYSA-N -1 3 290.190 3.167 20 0 CGADHM Cc1cccc([O-])c1C(=O)N(C)c1ccc(F)c(F)c1 ZINC001142294298 804713560 /nfs/dbraw/zinc/71/35/60/804713560.db2.gz BKJUDUNNVUJVFO-UHFFFAOYSA-N -1 3 277.270 3.255 20 0 CGADHM C[C@@]1(CF)CCN(Cc2ccc(Cl)cc2C(=O)[O-])C1 ZINC001142647262 804747773 /nfs/dbraw/zinc/74/77/73/804747773.db2.gz UKUYMCNLUIJKTJ-AWEZNQCLSA-N -1 3 285.746 3.220 20 0 CGADHM [O-]c1cc(Nc2cc(F)cc(F)c2O)c(F)cc1F ZINC001212486066 815037353 /nfs/dbraw/zinc/03/73/53/815037353.db2.gz JNHFHEPGCWAAHI-UHFFFAOYSA-N -1 3 273.185 3.398 20 0 CGADHM [O-]c1c(F)cc(Nc2cc3cccnc3[nH]2)cc1F ZINC001248715459 804974407 /nfs/dbraw/zinc/97/44/07/804974407.db2.gz HNDMWNAVXUFUQX-UHFFFAOYSA-N -1 3 261.231 3.290 20 0 CGADHM Cc1cc(O)cc(C)c1NC(=O)Cc1ccc([O-])c(F)c1 ZINC001144631033 805016119 /nfs/dbraw/zinc/01/61/19/805016119.db2.gz CLZXJDBTRFRBJU-UHFFFAOYSA-N -1 3 289.306 3.035 20 0 CGADHM C[C@H]1C[C@@H](NC(=O)Cc2ccc([O-])c(F)c2)c2ccccc21 ZINC001144632961 805016581 /nfs/dbraw/zinc/01/65/81/805016581.db2.gz YHFPYDVGWLIBCK-MEDUHNTESA-N -1 3 299.345 3.439 20 0 CGADHM CCC1CCN(Cc2cc(F)c([O-])cc2F)CC1 ZINC001144647824 805021169 /nfs/dbraw/zinc/02/11/69/805021169.db2.gz LHJKWORJFXEKFC-UHFFFAOYSA-N -1 3 255.308 3.292 20 0 CGADHM [O-]c1cc(F)c(CN2CCC3(CCOCC3)CC2)cc1F ZINC001144657716 805024841 /nfs/dbraw/zinc/02/48/41/805024841.db2.gz FLBFEQDKHUJEDO-UHFFFAOYSA-N -1 3 297.345 3.063 20 0 CGADHM [O-]c1cc(F)c(CN2CCC[C@@H]3CCC[C@@H]32)cc1F ZINC001144658466 805025071 /nfs/dbraw/zinc/02/50/71/805025071.db2.gz XLBWMSKIOFATJV-HZMBPMFUSA-N -1 3 267.319 3.435 20 0 CGADHM [O-]c1cc(F)c(CN2CCC[C@H]3CCC[C@H]32)cc1F ZINC001144658468 805025262 /nfs/dbraw/zinc/02/52/62/805025262.db2.gz XLBWMSKIOFATJV-QMTHXVAHSA-N -1 3 267.319 3.435 20 0 CGADHM O=C(Nc1cc([O-])cc(Cl)c1)c1cc(C2CC2)on1 ZINC001146922737 805098010 /nfs/dbraw/zinc/09/80/10/805098010.db2.gz XIWXDPSNVOVAQN-UHFFFAOYSA-N -1 3 278.695 3.163 20 0 CGADHM Cc1oc(-c2ccccc2)nc1C(=O)Nc1cncc([O-])c1 ZINC001147306702 805120508 /nfs/dbraw/zinc/12/05/08/805120508.db2.gz FFVYMBKULPYLQF-UHFFFAOYSA-N -1 3 295.298 3.003 20 0 CGADHM Cc1cc(Cl)nc(Cl)c1C(=O)Nc1ncccc1[O-] ZINC001147891015 805156204 /nfs/dbraw/zinc/15/62/04/805156204.db2.gz DPAOEMOMGGQAFJ-UHFFFAOYSA-N -1 3 298.129 3.050 20 0 CGADHM Cc1ccc(C(=O)N2CC[C@@H](C)C(F)(F)CC2)c([O-])c1 ZINC001148498842 805189533 /nfs/dbraw/zinc/18/95/33/805189533.db2.gz NKUPZQARZBCWJE-LLVKDONJSA-N -1 3 283.318 3.208 20 0 CGADHM Cc1nc2c(NC(=O)c3ccc(C)cc3[O-])cccn2c1C ZINC001148498880 805189680 /nfs/dbraw/zinc/18/96/80/805189680.db2.gz OSVHEKSWOKKMIC-UHFFFAOYSA-N -1 3 295.342 3.217 20 0 CGADHM Cc1ccc(C(=O)NCc2cccc3ncccc23)c([O-])c1 ZINC001148506134 805191447 /nfs/dbraw/zinc/19/14/47/805191447.db2.gz TWEPQUFYPMTTHI-UHFFFAOYSA-N -1 3 292.338 3.179 20 0 CGADHM Cc1c(N)c(F)ccc1[N-]c1nnc(-c2ccco2)o1 ZINC001249631644 805193970 /nfs/dbraw/zinc/19/39/70/805193970.db2.gz ZGGAEAPOLZPKJO-UHFFFAOYSA-N -1 3 274.255 3.103 20 0 CGADHM CC(=O)c1cc(C(=O)Nc2ncccc2C(C)C)ccc1[O-] ZINC001148657167 805204434 /nfs/dbraw/zinc/20/44/34/805204434.db2.gz HZFTUNBNZZFJJX-UHFFFAOYSA-N -1 3 298.342 3.366 20 0 CGADHM CC(=O)Nc1ccc(Nc2ccc(C)c([O-])c2Cl)cn1 ZINC001249750264 805234515 /nfs/dbraw/zinc/23/45/15/805234515.db2.gz WNCBNWDQVFBAPP-UHFFFAOYSA-N -1 3 291.738 3.451 20 0 CGADHM CC(C)COc1ncc(Nc2cnc[n-]c2=O)cc1Cl ZINC001249780422 805241980 /nfs/dbraw/zinc/24/19/80/805241980.db2.gz XTVIYENLNRRXCN-UHFFFAOYSA-N -1 3 294.742 3.009 20 0 CGADHM Cc1ccc(C(=O)N[C@H](CF)c2ccc(F)cc2)c([O-])c1 ZINC001152357284 805346357 /nfs/dbraw/zinc/34/63/57/805346357.db2.gz OXXTUTXZPZLMCH-CQSZACIVSA-N -1 3 291.297 3.280 20 0 CGADHM Cc1cc2cc(N)cnc2n1-c1cc(Cl)c([O-])cc1F ZINC001250020602 805371912 /nfs/dbraw/zinc/37/19/12/805371912.db2.gz XPGDWLMSHGNCQX-UHFFFAOYSA-N -1 3 291.713 3.414 20 0 CGADHM Cc1ncc(Nc2c(F)ccc(Cl)c2F)c(=O)[n-]1 ZINC001250090894 805410840 /nfs/dbraw/zinc/41/08/40/805410840.db2.gz YLYQGEUQUGQSCT-UHFFFAOYSA-N -1 3 271.654 3.166 20 0 CGADHM CCOc1ccc(Cl)c(Nc2cnc(C)[n-]c2=O)c1 ZINC001212575439 815074989 /nfs/dbraw/zinc/07/49/89/815074989.db2.gz FNIKOEZLKJTHFT-UHFFFAOYSA-N -1 3 279.727 3.286 20 0 CGADHM O=C(Nc1cc([O-])cc(Cl)c1)c1onc2ccccc21 ZINC001154375411 805452246 /nfs/dbraw/zinc/45/22/46/805452246.db2.gz DGVQXSRLEQIMLG-UHFFFAOYSA-N -1 3 288.690 3.439 20 0 CGADHM Cc1cc(O)cnc1Nc1ccc(Cl)c([O-])c1 ZINC001212588200 815076870 /nfs/dbraw/zinc/07/68/70/815076870.db2.gz JPCLXRDOGZQYIO-UHFFFAOYSA-N -1 3 250.685 3.198 20 0 CGADHM [O-]c1cc(Nc2ncc(F)cc2F)ccc1Cl ZINC001212587995 815077618 /nfs/dbraw/zinc/07/76/18/815077618.db2.gz DJYCVPPAJARCHF-UHFFFAOYSA-N -1 3 256.639 3.462 20 0 CGADHM [O-]c1cc(Nc2ccnn2CC2CC2)ccc1Cl ZINC001212589529 815078410 /nfs/dbraw/zinc/07/84/10/815078410.db2.gz QGTOACXOLKYYNJ-UHFFFAOYSA-N -1 3 263.728 3.396 20 0 CGADHM COc1ncnc(Cl)c1Nc1ccc(Cl)c([O-])c1 ZINC001212588671 815078679 /nfs/dbraw/zinc/07/86/79/815078679.db2.gz XSZQIUMHVHQHAR-UHFFFAOYSA-N -1 3 286.118 3.241 20 0 CGADHM Nc1ccc(N(c2ccc(Cl)c([O-])c2)C2CC2)nc1 ZINC001212590242 815078931 /nfs/dbraw/zinc/07/89/31/815078931.db2.gz CBOYLYMTWSVDNR-UHFFFAOYSA-N -1 3 275.739 3.323 20 0 CGADHM [O-]c1cc(Nc2ccc(CO)c(F)c2)ccc1Cl ZINC001212595371 815081383 /nfs/dbraw/zinc/08/13/83/815081383.db2.gz PYZKOGWEJPQPLF-UHFFFAOYSA-N -1 3 267.687 3.421 20 0 CGADHM [O-]C(=Cc1c(F)ccc(O)c1F)c1ccc(F)cc1F ZINC001250249268 805519712 /nfs/dbraw/zinc/51/97/12/805519712.db2.gz REXPPIZGXGMETL-UHFFFAOYSA-N -1 3 284.208 3.374 20 0 CGADHM O=C(C[C@@H]1CCc2ccccc21)[N-]Oc1ccc(F)cc1 ZINC001165799849 807020159 /nfs/dbraw/zinc/02/01/59/807020159.db2.gz CHCRUWUTMKBDHH-ZDUSSCGKSA-N -1 3 285.318 3.356 20 0 CGADHM COC(=O)Cc1ccc(Nc2cc(F)c([O-])c(F)c2)cc1 ZINC001212620176 815085874 /nfs/dbraw/zinc/08/58/74/815085874.db2.gz JOUIDDNBXAGLGA-UHFFFAOYSA-N -1 3 293.269 3.130 20 0 CGADHM CC(=O)c1cc(-c2nnc(C3CCCC3)o2)ccc1[O-] ZINC001257500097 807182602 /nfs/dbraw/zinc/18/26/02/807182602.db2.gz WXPRKNUPZOOLGC-UHFFFAOYSA-N -1 3 272.304 3.302 20 0 CGADHM [O-]c1cncc(-c2nc(-c3ccc(Cl)c(F)c3)no2)c1 ZINC001212708456 815109193 /nfs/dbraw/zinc/10/91/93/815109193.db2.gz JFWGTVGZAADHMY-UHFFFAOYSA-N -1 3 291.669 3.297 20 0 CGADHM [O-]c1cncc(-c2nc(-c3ccc(Cl)cc3F)no2)c1 ZINC001212708220 815109237 /nfs/dbraw/zinc/10/92/37/815109237.db2.gz AIRDQVFUZBMIRD-UHFFFAOYSA-N -1 3 291.669 3.297 20 0 CGADHM [O-]c1cncc(-c2nc(-c3cncc4ccccc43)no2)c1 ZINC001212709998 815110204 /nfs/dbraw/zinc/11/02/04/815110204.db2.gz ZOASASNSZACREK-UHFFFAOYSA-N -1 3 290.282 3.052 20 0 CGADHM Cc1ccc(-c2noc(-c3cncc([O-])c3)n2)c(F)c1F ZINC001212708677 815110513 /nfs/dbraw/zinc/11/05/13/815110513.db2.gz OODLCQNGLGBELE-UHFFFAOYSA-N -1 3 289.241 3.091 20 0 CGADHM CC(C)CS(=O)(=O)[N-]c1cc(Cl)cc2cnccc21 ZINC001259885479 807691419 /nfs/dbraw/zinc/69/14/19/807691419.db2.gz CXQDETOQQBKFRT-UHFFFAOYSA-N -1 3 298.795 3.286 20 0 CGADHM Cc1nc2c(cccc2NCc2ncccc2[O-])s1 ZINC001169732569 807701283 /nfs/dbraw/zinc/70/12/83/807701283.db2.gz LXCXUGOGTTYMTA-UHFFFAOYSA-N -1 3 271.345 3.317 20 0 CGADHM CC[C@H](C)S(=O)(=O)[N-]c1ccc(F)cc1OC(C)C ZINC001260743767 807704388 /nfs/dbraw/zinc/70/43/88/807704388.db2.gz QYHWMXCCBMRARZ-JTQLQIEISA-N -1 3 289.372 3.153 20 0 CGADHM CC(C)c1nnsc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC001262616164 807877257 /nfs/dbraw/zinc/87/72/57/807877257.db2.gz HCZUKHKMAOGMHY-UHFFFAOYSA-N -1 3 297.767 3.273 20 0 CGADHM CO[C@@H]1CC=C(Nc2cc([O-])c(F)cc2F)CC1 ZINC001212880169 815172726 /nfs/dbraw/zinc/17/27/26/815172726.db2.gz SVDAJKHHUGYJQA-SECBINFHSA-N -1 3 255.264 3.165 20 0 CGADHM CCn1cc(Nc2ccc(C)c([O-])c2Cl)ccc1=O ZINC001212914620 815183589 /nfs/dbraw/zinc/18/35/89/815183589.db2.gz RTYOXCUFEHGJGK-UHFFFAOYSA-N -1 3 278.739 3.279 20 0 CGADHM CC(C)c1nnc([N-]c2ccc(-c3ncc[nH]3)cc2)o1 ZINC001213085835 815228834 /nfs/dbraw/zinc/22/88/34/815228834.db2.gz ZEUQJMLRBJVOFP-UHFFFAOYSA-N -1 3 269.308 3.327 20 0 CGADHM COc1ccc([N-]c2nnc(-c3ccco3)o2)c(OC)c1 ZINC001173888341 808743326 /nfs/dbraw/zinc/74/33/26/808743326.db2.gz CUYJBBODCWIJNH-UHFFFAOYSA-N -1 3 287.275 3.090 20 0 CGADHM Cc1ccc(Nc2ccccc2C(N)=O)c(Cl)c1[O-] ZINC001173983653 808804669 /nfs/dbraw/zinc/80/46/69/808804669.db2.gz HHHOUCMKZNJXGX-UHFFFAOYSA-N -1 3 276.723 3.197 20 0 CGADHM CC(C)Oc1ccc(Nc2ccc(C(N)=O)c([O-])c2)cc1 ZINC001174110550 808870866 /nfs/dbraw/zinc/87/08/66/808870866.db2.gz LLQMABFOWBNLEY-UHFFFAOYSA-N -1 3 286.331 3.022 20 0 CGADHM Cc1n[nH]c(C)c1Nc1cccc([O-])c1Br ZINC001174217357 808906276 /nfs/dbraw/zinc/90/62/76/808906276.db2.gz HDIDHOLDLNCPND-UHFFFAOYSA-N -1 3 282.141 3.238 20 0 CGADHM Cc1nn(C)c(C)c1[N-]c1snnc1-c1ccccc1 ZINC001174226050 808911792 /nfs/dbraw/zinc/91/17/92/808911792.db2.gz REYATSHPDHBXGW-UHFFFAOYSA-N -1 3 285.376 3.299 20 0 CGADHM CC(=O)NCc1ccc(Nc2cc([O-])c(F)cc2F)cc1 ZINC001174231560 808915781 /nfs/dbraw/zinc/91/57/81/808915781.db2.gz HWOBESFDQIFLQW-UHFFFAOYSA-N -1 3 292.285 3.050 20 0 CGADHM O=c1[n-]cncc1Nc1ccc(C(F)(F)F)cc1F ZINC001174401203 808998314 /nfs/dbraw/zinc/99/83/14/808998314.db2.gz SDYVCLIHYWTCOJ-UHFFFAOYSA-N -1 3 273.189 3.084 20 0 CGADHM CNC(=O)c1ccc(Nc2ccc([O-])c(Cl)c2)cc1 ZINC001174513419 809056130 /nfs/dbraw/zinc/05/61/30/809056130.db2.gz VKJMFYDRUCDTDF-UHFFFAOYSA-N -1 3 276.723 3.149 20 0 CGADHM CNC(=O)c1ccc(Nc2ccc(C)c([O-])c2Cl)cc1 ZINC001174512587 809056270 /nfs/dbraw/zinc/05/62/70/809056270.db2.gz SMWARUPSNPACSW-UHFFFAOYSA-N -1 3 290.750 3.457 20 0 CGADHM CSc1cc(F)ccc1[N-]C(=O)c1ncoc1C ZINC001277094617 809057653 /nfs/dbraw/zinc/05/76/53/809057653.db2.gz AOLFCTQVTRFARZ-UHFFFAOYSA-N -1 3 266.297 3.096 20 0 CGADHM Cc1cc(O)ccc1Nc1cc([O-])c(F)cc1F ZINC001174562228 809083586 /nfs/dbraw/zinc/08/35/86/809083586.db2.gz LBDHVWKCGVILKE-UHFFFAOYSA-N -1 3 251.232 3.428 20 0 CGADHM COc1cccc(C(F)(F)F)c1Nc1cnc(C)[n-]c1=O ZINC001213343172 815267391 /nfs/dbraw/zinc/26/73/91/815267391.db2.gz KWQVSMOMVDRINL-UHFFFAOYSA-N -1 3 299.252 3.262 20 0 CGADHM O=c1cc(Nc2cccc3cccnc32)nc(C2CC2)[n-]1 ZINC001174856976 809178963 /nfs/dbraw/zinc/17/89/63/809178963.db2.gz RWTQWCJEQYDWSM-UHFFFAOYSA-N -1 3 278.315 3.351 20 0 CGADHM O=c1cc(Nc2cccc3ncccc32)nc(C2CC2)[n-]1 ZINC001174903985 809195782 /nfs/dbraw/zinc/19/57/82/809195782.db2.gz MFSZHYIKTRNWKC-UHFFFAOYSA-N -1 3 278.315 3.351 20 0 CGADHM O=c1ccoc2ccc(Nc3ccc(F)cc3[O-])cc12 ZINC001174946068 809210431 /nfs/dbraw/zinc/21/04/31/809210431.db2.gz SSNUUPCLWZFNIJ-UHFFFAOYSA-N -1 3 271.247 3.381 20 0 CGADHM [O-]c1c(F)cc(Nc2ccnn2CC(F)(F)F)cc1F ZINC001213377349 815272854 /nfs/dbraw/zinc/27/28/54/815272854.db2.gz KRAPGYAWPULYEZ-UHFFFAOYSA-N -1 3 293.195 3.173 20 0 CGADHM CCOc1ccc(Nc2cnc[n-]c2=O)cc1C(F)(F)F ZINC001175035076 809247548 /nfs/dbraw/zinc/24/75/48/809247548.db2.gz WLCMNEYFZJLCGK-UHFFFAOYSA-N -1 3 299.252 3.343 20 0 CGADHM Cc1cc(O)cc(Nc2c(F)cc([O-])cc2F)c1 ZINC001175100090 809270943 /nfs/dbraw/zinc/27/09/43/809270943.db2.gz UXZNRNUNFUNABG-UHFFFAOYSA-N -1 3 251.232 3.428 20 0 CGADHM O=c1[nH]c2cc(Nc3c(F)cc([O-])cc3F)ccc2o1 ZINC001175099453 809271144 /nfs/dbraw/zinc/27/11/44/809271144.db2.gz HLEUZYOQVQDFSU-UHFFFAOYSA-N -1 3 278.214 3.261 20 0 CGADHM O=C1NCc2cccc(Nc3c(F)cc([O-])cc3F)c2N1 ZINC001175103676 809272599 /nfs/dbraw/zinc/27/25/99/809272599.db2.gz VIBFBTNZZLPNAK-UHFFFAOYSA-N -1 3 291.257 3.049 20 0 CGADHM COC(=O)c1ccc([O-])cc1Nc1ccccc1C(C)=O ZINC001175180043 809300100 /nfs/dbraw/zinc/30/01/00/809300100.db2.gz IVVDQWUCRBOLBP-UHFFFAOYSA-N -1 3 285.299 3.125 20 0 CGADHM CCCCOc1ccc(Nc2cc(=O)[n-]c(C)n2)cc1 ZINC001175241401 809320991 /nfs/dbraw/zinc/32/09/91/809320991.db2.gz DPYNSGFCKWNNIU-UHFFFAOYSA-N -1 3 273.336 3.413 20 0 CGADHM COc1nccc(C)c1Nc1c(F)ccc([O-])c1F ZINC001175262271 809327709 /nfs/dbraw/zinc/32/77/09/809327709.db2.gz AXMNJDGXTZTGSK-UHFFFAOYSA-N -1 3 266.247 3.126 20 0 CGADHM Cc1cc(C)n2nc(Nc3c(F)ccc([O-])c3F)cc2n1 ZINC001175263351 809329506 /nfs/dbraw/zinc/32/95/06/809329506.db2.gz JWYBCQSJLPOZAP-UHFFFAOYSA-N -1 3 290.273 3.074 20 0 CGADHM [O-]c1ccc(F)c(Nc2cc(F)ccc2O)c1F ZINC001175264853 809329607 /nfs/dbraw/zinc/32/96/07/809329607.db2.gz JWSGKUQBZCDWNQ-UHFFFAOYSA-N -1 3 255.195 3.259 20 0 CGADHM Nc1cn(-c2c(F)ccc([O-])c2F)c2nccc-2c1Cl ZINC001175264212 809330082 /nfs/dbraw/zinc/33/00/82/809330082.db2.gz UUGLPOGADOHHHJ-UHFFFAOYSA-N -1 3 295.676 3.197 20 0 CGADHM NC(=O)c1ccc(Nc2c(F)ccc([O-])c2F)cc1Cl ZINC001175267567 809330660 /nfs/dbraw/zinc/33/06/60/809330660.db2.gz AEBHBENCZQXKMQ-UHFFFAOYSA-N -1 3 298.676 3.166 20 0 CGADHM Nc1cn(-c2c(F)ccc([O-])c2F)c2nccc(Cl)c12 ZINC001175265580 809331805 /nfs/dbraw/zinc/33/18/05/809331805.db2.gz GYXPOLOGRXIRKO-UHFFFAOYSA-N -1 3 295.676 3.245 20 0 CGADHM O=C1Cc2cc(F)cc(Nc3c(F)ccc([O-])c3F)c2N1 ZINC001175268205 809332608 /nfs/dbraw/zinc/33/26/08/809332608.db2.gz MYFDFIJYBYFQBB-UHFFFAOYSA-N -1 3 294.232 3.048 20 0 CGADHM Cc1ccc(Nc2c(F)ccc([O-])c2F)cc1CO ZINC001175269632 809334183 /nfs/dbraw/zinc/33/41/83/809334183.db2.gz IMPMACAGOFUDTJ-UHFFFAOYSA-N -1 3 265.259 3.215 20 0 CGADHM CN(c1cccc(N)c1)c1c(F)ccc([O-])c1F ZINC001175270922 809334413 /nfs/dbraw/zinc/33/44/13/809334413.db2.gz ODZXTKCIPYAUNZ-UHFFFAOYSA-N -1 3 250.248 3.021 20 0 CGADHM Cc1ccc(Nc2cnc3n[nH]cc3c2)c(Cl)c1[O-] ZINC001175404555 809394537 /nfs/dbraw/zinc/39/45/37/809394537.db2.gz HJLFJKZIGVRASR-UHFFFAOYSA-N -1 3 274.711 3.369 20 0 CGADHM c1sc2ncccc2c1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175424887 809400644 /nfs/dbraw/zinc/40/06/44/809400644.db2.gz HAPFKFIFHCVUPJ-UHFFFAOYSA-N -1 3 294.343 3.220 20 0 CGADHM C[S@@](=O)c1ccc(Nc2c(F)cc([O-])cc2F)cc1 ZINC001175478886 809422932 /nfs/dbraw/zinc/42/29/32/809422932.db2.gz LBJWUAPGWWKRDW-LJQANCHMSA-N -1 3 283.299 3.151 20 0 CGADHM CCOC(=O)c1cnoc1[N-]c1cc(C2CC2)cnc1C ZINC001213491528 815289706 /nfs/dbraw/zinc/28/97/06/815289706.db2.gz MRTSXZNDBSALBG-UHFFFAOYSA-N -1 3 287.319 3.176 20 0 CGADHM CCc1ccccc1CNC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC001293818455 809455271 /nfs/dbraw/zinc/45/52/71/809455271.db2.gz URKNEAFDZHKLOB-UHFFFAOYSA-N -1 3 297.354 3.087 20 0 CGADHM COc1cccc([O-])c1C(=O)N[C@H]1C[C@H]1C1CCCCC1 ZINC001294138179 809461805 /nfs/dbraw/zinc/46/18/05/809461805.db2.gz GPOONDQJUCSIPL-STQMWFEESA-N -1 3 289.375 3.099 20 0 CGADHM Cc1ncccc1/C=C\C(=O)Nc1ccc(Cl)cc1[O-] ZINC001295971308 809497229 /nfs/dbraw/zinc/49/72/29/809497229.db2.gz BAJCNJHVYQKXLF-DAXSKMNVSA-N -1 3 288.734 3.401 20 0 CGADHM O=C(Nc1ccc(Cl)cc1[O-])[C@@H]1C[C@H]1c1cccnc1 ZINC001295972331 809497236 /nfs/dbraw/zinc/49/72/36/809497236.db2.gz NIDAGZYAIMPSQG-NWDGAFQWSA-N -1 3 288.734 3.183 20 0 CGADHM CC(=CC(=O)Nc1[nH][n-]c2cc(=O)ccc1-2)c1cccs1 ZINC001298318114 809530845 /nfs/dbraw/zinc/53/08/45/809530845.db2.gz LEJXDCDHXVTTNC-CLFYSBASSA-N -1 3 299.355 3.372 20 0 CGADHM O=C(Nc1c([O-])cccc1Cl)C1Cc2ccccc2C1 ZINC001298551047 809533801 /nfs/dbraw/zinc/53/38/01/809533801.db2.gz STDTXSQCNPCMDH-UHFFFAOYSA-N -1 3 287.746 3.399 20 0 CGADHM CCOc1ncc(C)cc1NC(=O)c1cc(C)ccc1[O-] ZINC001298542130 809534016 /nfs/dbraw/zinc/53/40/16/809534016.db2.gz TUFKNLJXZUOMBO-UHFFFAOYSA-N -1 3 286.331 3.055 20 0 CGADHM CCCn1nc(C)cc1Nc1cc(F)cc(F)c1[O-] ZINC001175807050 809550098 /nfs/dbraw/zinc/55/00/98/809550098.db2.gz KBCMOTADHUQWQF-UHFFFAOYSA-N -1 3 267.279 3.329 20 0 CGADHM Cc1nc(Nc2ccc(-c3cccnc3)cc2)cc(=O)[n-]1 ZINC001175887893 809565062 /nfs/dbraw/zinc/56/50/62/809565062.db2.gz LDGGIEUEIZAJPO-UHFFFAOYSA-N -1 3 278.315 3.296 20 0 CGADHM O=C(N[C@@H]1C=CCC1)c1cc(Cc2ccccc2)ccc1[O-] ZINC001300454068 809568456 /nfs/dbraw/zinc/56/84/56/809568456.db2.gz SRQUQEASUIGMEP-MRXNPFEDSA-N -1 3 293.366 3.431 20 0 CGADHM COc1cc(Nc2ncc(Cl)cc2[O-])c(F)cc1F ZINC001176109173 809624160 /nfs/dbraw/zinc/62/41/60/809624160.db2.gz MVHBAFFTGZBUDN-UHFFFAOYSA-N -1 3 286.665 3.471 20 0 CGADHM [O-]c1cc(F)cnc1Nc1ccc(O)cc1C(F)(F)F ZINC001176338913 809672615 /nfs/dbraw/zinc/67/26/15/809672615.db2.gz KTIHVGWKTPQZQB-UHFFFAOYSA-N -1 3 288.200 3.394 20 0 CGADHM Clc1ccc2oc([N-]c3cnc4nonc4c3)nc2c1 ZINC001176688593 809741961 /nfs/dbraw/zinc/74/19/61/809741961.db2.gz IVPBHZYRRPLUTP-UHFFFAOYSA-N -1 3 287.666 3.156 20 0 CGADHM CC(=O)c1ccc(-c2noc(-c3nc(C)ccc3[O-])n2)cc1 ZINC001213699351 815323251 /nfs/dbraw/zinc/32/32/51/815323251.db2.gz FPQBKNGZCYJTBR-UHFFFAOYSA-N -1 3 295.298 3.015 20 0 CGADHM Cc1ccc(Cl)c(CC(=O)Nc2cncc([O-])c2)c1F ZINC001179972406 809965144 /nfs/dbraw/zinc/96/51/44/809965144.db2.gz YILGMISRXGBRNH-UHFFFAOYSA-N -1 3 294.713 3.069 20 0 CGADHM Cc1cc2cc(Nc3ncc(F)cc3[O-])ccc2[nH]1 ZINC001213790044 815332612 /nfs/dbraw/zinc/33/26/12/815332612.db2.gz UMFVSXVKOWFUAY-UHFFFAOYSA-N -1 3 257.268 3.460 20 0 CGADHM CC[C@H](C)C(=O)C(=O)Nc1cc2ccccc2cc1[O-] ZINC001184322299 810192204 /nfs/dbraw/zinc/19/22/04/810192204.db2.gz NYHMCRBGFNZNMJ-JTQLQIEISA-N -1 3 271.316 3.099 20 0 CGADHM O=c1[nH]ccc2ccc(Nc3ncc(Cl)cc3[O-])cc21 ZINC001213954146 815349851 /nfs/dbraw/zinc/34/98/51/815349851.db2.gz RDTBMRJZYFAJHI-UHFFFAOYSA-N -1 3 287.706 3.438 20 0 CGADHM Cc1noc(C)c1NC(=O)Nc1cc([O-])cc(Cl)c1 ZINC001185183156 810242837 /nfs/dbraw/zinc/24/28/37/810242837.db2.gz JEMRTTYNLBKJHP-UHFFFAOYSA-N -1 3 281.699 3.294 20 0 CGADHM [O-]c1c(F)cc(Nc2cc(F)c(CO)c(F)c2)cc1F ZINC001214034973 815359016 /nfs/dbraw/zinc/35/90/16/815359016.db2.gz LMQNCPIEUYHKQJ-UHFFFAOYSA-N -1 3 287.212 3.185 20 0 CGADHM C=Cc1ccc(C(=O)Nc2c([O-])cccc2C(C)=O)cc1 ZINC001186512572 810343681 /nfs/dbraw/zinc/34/36/81/810343681.db2.gz RQBZJNXHWALAKI-UHFFFAOYSA-N -1 3 281.311 3.490 20 0 CGADHM O=C(Nc1cc(F)cc(F)c1)Nc1ncc([O-])cc1Cl ZINC001187547917 810404716 /nfs/dbraw/zinc/40/47/16/810404716.db2.gz JPSZIBFFTCRNNZ-UHFFFAOYSA-N -1 3 299.664 3.363 20 0 CGADHM O=S(=O)([N-]c1c(F)cccc1C(F)(F)F)C1CCC1 ZINC001188097408 810452651 /nfs/dbraw/zinc/45/26/51/810452651.db2.gz HMUUNMHZZJOBKI-UHFFFAOYSA-N -1 3 297.273 3.139 20 0 CGADHM Cc1cccc([O-])c1C(=O)Nc1ccccc1-n1cccn1 ZINC001188648751 810499393 /nfs/dbraw/zinc/49/93/93/810499393.db2.gz MYTATTMIFFILDU-UHFFFAOYSA-N -1 3 293.326 3.139 20 0 CGADHM C=Cc1ccc(CNC(=O)c2c(C)cccc2[O-])cc1 ZINC001188659275 810500059 /nfs/dbraw/zinc/50/00/59/810500059.db2.gz JULQKKJUTHBLBV-UHFFFAOYSA-N -1 3 267.328 3.274 20 0 CGADHM CCCCNC(=O)Nc1ccc(C)c([O-])c1Cl ZINC001190615566 810637823 /nfs/dbraw/zinc/63/78/23/810637823.db2.gz GDFIKYBDFBBTJH-UHFFFAOYSA-N -1 3 256.733 3.276 20 0 CGADHM Cc1ccc([O-])c(NC(=O)Nc2cc(F)ccc2C)n1 ZINC001191377698 810708137 /nfs/dbraw/zinc/70/81/37/810708137.db2.gz CFMVFBOTUXAFBP-UHFFFAOYSA-N -1 3 275.283 3.187 20 0 CGADHM CCc1cccc(C(=O)Nc2ccc(F)c([O-])c2)c1 ZINC001192965355 810836050 /nfs/dbraw/zinc/83/60/50/810836050.db2.gz ZKARYJHFCQAPFF-UHFFFAOYSA-N -1 3 259.280 3.346 20 0 CGADHM CC(=O)c1cccc(NC(=O)OC2CCCCC2)c1[O-] ZINC001193632504 810924650 /nfs/dbraw/zinc/92/46/50/810924650.db2.gz KNLBQGLLEQGHFS-UHFFFAOYSA-N -1 3 277.320 3.476 20 0 CGADHM Cc1cc(O)cc([O-])c1C(=O)N[C@@H]1CCCc2ccccc21 ZINC001193912440 810978000 /nfs/dbraw/zinc/97/80/00/810978000.db2.gz SXGHPDOBTPQXQA-OAHLLOKOSA-N -1 3 297.354 3.214 20 0 CGADHM Cc1cc(O)cc([O-])c1C(=O)Nc1cccc2cc[nH]c21 ZINC001193935935 810982013 /nfs/dbraw/zinc/98/20/13/810982013.db2.gz HEWBDSPKGWIPDI-UHFFFAOYSA-N -1 3 282.299 3.140 20 0 CGADHM CSc1ncc(Nc2c(Cl)ccc([O-])c2F)cn1 ZINC001214557720 815423314 /nfs/dbraw/zinc/42/33/14/815423314.db2.gz HSASYMDCVZXIDH-UHFFFAOYSA-N -1 3 285.731 3.440 20 0 CGADHM Cc1cc(OC(C)C)ccc1C(=O)Nc1ncccc1[O-] ZINC001196755888 811362749 /nfs/dbraw/zinc/36/27/49/811362749.db2.gz XEBATAQLKFIELM-UHFFFAOYSA-N -1 3 286.331 3.135 20 0 CGADHM [O-]c1cccc(F)c1NC(=S)NCC1CCCCC1 ZINC001199923366 811612800 /nfs/dbraw/zinc/61/28/00/811612800.db2.gz WGKNGMUPHLOSIM-UHFFFAOYSA-N -1 3 282.384 3.398 20 0 CGADHM CC[C@H](C)CNC(=S)Nc1c([O-])cccc1Cl ZINC001200255481 811655755 /nfs/dbraw/zinc/65/57/55/811655755.db2.gz YEMYXZPWNQEUTO-QMMMGPOBSA-N -1 3 272.801 3.378 20 0 CGADHM [O-]c1cncc(NC(=S)Nc2ccccc2Cl)c1 ZINC001200848793 811756253 /nfs/dbraw/zinc/75/62/53/811756253.db2.gz JBCLDSPIKONWMM-UHFFFAOYSA-N -1 3 279.752 3.250 20 0 CGADHM O=c1ccn(-c2ccc(NC3=CCSCC3)cc2)[n-]1 ZINC001201346784 811818251 /nfs/dbraw/zinc/81/82/51/811818251.db2.gz HWNRKEPMVKUOOV-UHFFFAOYSA-N -1 3 273.361 3.011 20 0 CGADHM CCOc1ncc(Cl)cc1[N-]c1nnc(CC)s1 ZINC001201504254 811873650 /nfs/dbraw/zinc/87/36/50/811873650.db2.gz DHZYYYVOGFSGOJ-UHFFFAOYSA-N -1 3 284.772 3.291 20 0 CGADHM CC(=O)c1cc(Cl)ccc1Nc1cncc([O-])c1 ZINC001201641806 811929116 /nfs/dbraw/zinc/92/91/16/811929116.db2.gz SEINCUGWMVDVFK-UHFFFAOYSA-N -1 3 262.696 3.387 20 0 CGADHM O=C([N-]c1cc(-c2ccccn2)no1)Nc1ccccc1 ZINC001201947659 811980687 /nfs/dbraw/zinc/98/06/87/811980687.db2.gz JIQNDIFTXQWDSB-UHFFFAOYSA-N -1 3 280.287 3.381 20 0 CGADHM Cc1cccc(NC(=O)Nc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC001202305364 812058567 /nfs/dbraw/zinc/05/85/67/812058567.db2.gz WTIYMEJTAHOFOZ-UHFFFAOYSA-N -1 3 284.319 3.012 20 0 CGADHM CC(C)(C)NC(=O)Nc1cc(Br)ccc1[O-] ZINC001202476765 812104068 /nfs/dbraw/zinc/10/40/68/812104068.db2.gz LAKYHUVKGGSPKW-UHFFFAOYSA-N -1 3 287.157 3.075 20 0 CGADHM COc1cc(-c2noc(-c3c([O-])cccc3O)n2)ccc1C ZINC001215301706 815505027 /nfs/dbraw/zinc/50/50/27/815505027.db2.gz GCNPFDJEKXATIH-UHFFFAOYSA-N -1 3 298.298 3.132 20 0 CGADHM Cc1ccc([O-])c(NC(=O)Nc2cccc(C)c2C)n1 ZINC001202690902 812151818 /nfs/dbraw/zinc/15/18/18/812151818.db2.gz BRWRSTSWBWQDPR-UHFFFAOYSA-N -1 3 271.320 3.356 20 0 CGADHM COc1ccc(Nc2cc(=O)[n-]c(C)n2)cc1OC(C)C ZINC001203013524 812218162 /nfs/dbraw/zinc/21/81/62/812218162.db2.gz ZRHXMTCXBJSLHM-UHFFFAOYSA-N -1 3 289.335 3.030 20 0 CGADHM Cc1nnc(-c2ccc([N-]c3nonc3C3CC3)cc2)o1 ZINC001203091718 812237982 /nfs/dbraw/zinc/23/79/82/812237982.db2.gz OXIPEUVCXSGBKB-UHFFFAOYSA-N -1 3 283.291 3.049 20 0 CGADHM Cc1cc(O)cc(Nc2ncc(Cl)cc2[O-])c1 ZINC001215507258 815526491 /nfs/dbraw/zinc/52/64/91/815526491.db2.gz DXSCRVVTQJAPBX-UHFFFAOYSA-N -1 3 250.685 3.198 20 0 CGADHM [O-]c1cc(F)c(Nc2nc3c(s2)CCC3)cc1F ZINC001215569652 815536092 /nfs/dbraw/zinc/53/60/92/815536092.db2.gz BEUMJXCCDLKAQX-UHFFFAOYSA-N -1 3 268.288 3.359 20 0 CGADHM Cc1cn2c(cccc2Nc2cc(F)c([O-])cc2F)n1 ZINC001215570534 815536102 /nfs/dbraw/zinc/53/61/02/815536102.db2.gz RKZDUCAZVXVKNZ-UHFFFAOYSA-N -1 3 275.258 3.370 20 0 CGADHM COc1cc(Nc2cc(F)c([O-])cc2F)cnc1Cl ZINC001215572530 815537750 /nfs/dbraw/zinc/53/77/50/815537750.db2.gz ZYPGUHHZHYVYGK-UHFFFAOYSA-N -1 3 286.665 3.471 20 0 CGADHM Cc1ccc(Nc2cnn([C@H]3CCOC3)c2)c(Cl)c1[O-] ZINC001205199782 812906658 /nfs/dbraw/zinc/90/66/58/812906658.db2.gz WYHUIAITZQDSIA-NSHDSACASA-N -1 3 293.754 3.256 20 0 CGADHM CCOc1ccc(C)c(F)c1Nc1cc(=O)[n-]c(C)n1 ZINC001215761436 815580606 /nfs/dbraw/zinc/58/06/06/815580606.db2.gz IHHSMFWAQPRAEE-UHFFFAOYSA-N -1 3 277.299 3.080 20 0 CGADHM Cc1c[nH]c2ncc(Nc3ncc(Cl)cc3[O-])cc12 ZINC001206020636 813167367 /nfs/dbraw/zinc/16/73/67/813167367.db2.gz MGODWJLQWHQORC-UHFFFAOYSA-N -1 3 274.711 3.369 20 0 CGADHM CC(C)COc1cncc(-c2ccc([O-])cc2F)n1 ZINC001206044507 813179274 /nfs/dbraw/zinc/17/92/74/813179274.db2.gz PEYNAOIPJIBVQK-UHFFFAOYSA-N -1 3 262.284 3.023 20 0 CGADHM COc1cc(F)c(-c2ccc([O-])cc2F)cc1OC ZINC001206080307 813193207 /nfs/dbraw/zinc/19/32/07/813193207.db2.gz IKFXSGUCLVRICB-UHFFFAOYSA-N -1 3 266.243 3.355 20 0 CGADHM CN1CC=C(Nc2c([S-])cccc2Cl)CC1 ZINC001208930669 813904810 /nfs/dbraw/zinc/90/48/10/813904810.db2.gz SOTZCPNUDLEQIT-UHFFFAOYSA-N -1 3 254.786 3.260 20 0 CGADHM c1cc2cc(-c3ccc(Cc4nnn[n-]4)cc3)cnc2s1 ZINC001242680799 823099445 /nfs/dbraw/zinc/09/94/45/823099445.db2.gz XAPDBJNDLISXRD-UHFFFAOYSA-N -1 3 293.355 3.067 20 0 CGADHM c1cc2cc(-c3ccc(Cc4nn[n-]n4)cc3)cnc2s1 ZINC001242680799 823099449 /nfs/dbraw/zinc/09/94/49/823099449.db2.gz XAPDBJNDLISXRD-UHFFFAOYSA-N -1 3 293.355 3.067 20 0 CGADHM [O-]c1ccc(Nc2ccc(F)c(CO)c2)cc1Cl ZINC001209878871 814184829 /nfs/dbraw/zinc/18/48/29/814184829.db2.gz PJDLASYINMWUMZ-UHFFFAOYSA-N -1 3 267.687 3.421 20 0 CGADHM [O-]c1ccc(Nc2cccc(F)c2O)c(F)c1F ZINC001210197577 814334093 /nfs/dbraw/zinc/33/40/93/814334093.db2.gz VDVMZCIDQHWQAW-UHFFFAOYSA-N -1 3 255.195 3.259 20 0 CGADHM CCc1nnc(Nc2cccc(Cl)c2[O-])s1 ZINC001210216161 814344687 /nfs/dbraw/zinc/34/46/87/814344687.db2.gz FPIRXEOUGQMQIB-UHFFFAOYSA-N -1 3 255.730 3.203 20 0 CGADHM [O-]c1c(Cl)cccc1Nc1cc(F)nc(F)c1 ZINC001210218300 814347633 /nfs/dbraw/zinc/34/76/33/814347633.db2.gz IEYZEFNOOUODRR-UHFFFAOYSA-N -1 3 256.639 3.462 20 0 CGADHM COC(=O)c1ccc(Nc2cccc(Cl)c2[O-])c(O)c1 ZINC001210222030 814348535 /nfs/dbraw/zinc/34/85/35/814348535.db2.gz KFMMITHLLHYQFN-UHFFFAOYSA-N -1 3 293.706 3.281 20 0 CGADHM [O-]c1c(Cl)cccc1Nc1nc(F)ccc1F ZINC001210220171 814348737 /nfs/dbraw/zinc/34/87/37/814348737.db2.gz OKQVUTWZDHVIEY-UHFFFAOYSA-N -1 3 256.639 3.462 20 0 CGADHM Nc1nc(Cl)cc2ncn(-c3cccc(Cl)c3[O-])c21 ZINC001210220741 814349015 /nfs/dbraw/zinc/34/90/15/814349015.db2.gz QOGRAPFDXYIRCD-UHFFFAOYSA-N -1 3 295.129 3.015 20 0 CGADHM C[C@@H](O)c1cccc([N-]c2nnc(-c3ccco3)o2)c1 ZINC001210502784 814493320 /nfs/dbraw/zinc/49/33/20/814493320.db2.gz DRWAKQZPFBAXNE-SECBINFHSA-N -1 3 271.276 3.127 20 0 CGADHM CC(C)n1nccc1Nc1cc(F)c(F)cc1[O-] ZINC001210520564 814506076 /nfs/dbraw/zinc/50/60/76/814506076.db2.gz HNQPVNYCXJAOED-UHFFFAOYSA-N -1 3 253.252 3.191 20 0 CGADHM O=c1[nH]cc(Nc2cccc([O-])c2Br)cc1F ZINC001210603729 814551770 /nfs/dbraw/zinc/55/17/70/814551770.db2.gz JAUNOYZXYPYTIQ-UHFFFAOYSA-N -1 3 299.099 3.138 20 0 CGADHM C[C@@H](O)c1ccc(Nc2cc([O-])c(F)cc2F)cc1 ZINC001210649280 814571713 /nfs/dbraw/zinc/57/17/13/814571713.db2.gz SKBCOKXGYLISQA-MRVPVSSYSA-N -1 3 265.259 3.467 20 0 CGADHM [O-]c1cccc(Nc2ccnn2CC2CC2)c1Cl ZINC001210852069 814650396 /nfs/dbraw/zinc/65/03/96/814650396.db2.gz UMEJDWCZTIMRLJ-UHFFFAOYSA-N -1 3 263.728 3.396 20 0 CGADHM Nc1cc(Cl)cnc1Nc1cccc([O-])c1Cl ZINC001210851563 814650667 /nfs/dbraw/zinc/65/06/67/814650667.db2.gz CJCCSOVKFGVYMB-UHFFFAOYSA-N -1 3 270.119 3.420 20 0 CGADHM CCc1nc2ccc(Nc3cccc([O-])c3Cl)cn2n1 ZINC001210855814 814653719 /nfs/dbraw/zinc/65/37/19/814653719.db2.gz YUADIJYVBWDSNK-UHFFFAOYSA-N -1 3 288.738 3.394 20 0 CGADHM CCOC(=O)c1nnsc1[N-]c1c(C)cccc1CC ZINC001210875802 814661288 /nfs/dbraw/zinc/66/12/88/814661288.db2.gz YQGVHSGUIMGDBG-UHFFFAOYSA-N -1 3 291.376 3.329 20 0 CGADHM Fc1ccc(Br)c([N-]c2nccs2)n1 ZINC001210991237 814702182 /nfs/dbraw/zinc/70/21/82/814702182.db2.gz XGHMYKQXUPYRLK-UHFFFAOYSA-N -1 3 274.118 3.183 20 0 CGADHM COC(=O)c1cc(C)cc([N-]c2nnc(C(C)(C)C)o2)c1 ZINC001211174418 814841900 /nfs/dbraw/zinc/84/19/00/814841900.db2.gz KSHKNAILWZCAIZ-UHFFFAOYSA-N -1 3 289.335 3.206 20 0 CGADHM CCCOc1ccccc1Nc1ncc(F)cc1[O-] ZINC001211380988 814887509 /nfs/dbraw/zinc/88/75/09/814887509.db2.gz NEMXCQGETSWTKA-UHFFFAOYSA-N -1 3 262.284 3.459 20 0 CGADHM [O-]c1cc(F)cnc1Nc1cc(Cl)cc2n[nH]cc21 ZINC001215859282 815616044 /nfs/dbraw/zinc/61/60/44/815616044.db2.gz WBJSPHBHXAAHCQ-UHFFFAOYSA-N -1 3 278.674 3.200 20 0 CGADHM CCN(CC)c1cc(F)cc([N-]c2nnc(C)o2)c1 ZINC001216181609 815723205 /nfs/dbraw/zinc/72/32/05/815723205.db2.gz WRFKFDARLCKRDA-UHFFFAOYSA-N -1 3 264.304 3.107 20 0 CGADHM Cc1cc(Cl)ncc1Nc1cc(=O)[n-]c(C2CC2)n1 ZINC001216277639 815765400 /nfs/dbraw/zinc/76/54/00/815765400.db2.gz AUDMPAZRLCFISZ-UHFFFAOYSA-N -1 3 276.727 3.160 20 0 CGADHM Cc1nc(Nc2c(C)cc(F)cc2Cl)cc(=O)[n-]1 ZINC001216402673 815814842 /nfs/dbraw/zinc/81/48/42/815814842.db2.gz ONZBNNISWPBPMI-UHFFFAOYSA-N -1 3 267.691 3.335 20 0 CGADHM [O-]c1cc(Cl)c(NC2=CCCOC2)cc1Cl ZINC001216509523 815846339 /nfs/dbraw/zinc/84/63/39/815846339.db2.gz NZDVOEQKUFZYAJ-UHFFFAOYSA-N -1 3 260.120 3.415 20 0 CGADHM CC(C)Oc1ncc([N-]c2nc(C(C)(C)C)ns2)cn1 ZINC001216617204 815875297 /nfs/dbraw/zinc/87/52/97/815875297.db2.gz DZSUNNYZRSIZGM-UHFFFAOYSA-N -1 3 293.396 3.156 20 0 CGADHM CCc1cccnc1-c1noc(-c2ccc([O-])cc2OC)n1 ZINC001217085989 815908746 /nfs/dbraw/zinc/90/87/46/815908746.db2.gz XXZORPWUKBFFOM-UHFFFAOYSA-N -1 3 297.314 3.075 20 0 CGADHM Fc1cccc2c1n[n-]c2-c1nc(-c2ccccc2)no1 ZINC001217322756 815919812 /nfs/dbraw/zinc/91/98/12/815919812.db2.gz JPXKMRHRTMGQNO-UHFFFAOYSA-N -1 3 280.262 3.419 20 0 CGADHM C=C(c1ccccc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001242892569 823165637 /nfs/dbraw/zinc/16/56/37/823165637.db2.gz FBVBZWFSHKXRJQ-UHFFFAOYSA-N -1 3 266.279 3.067 20 0 CGADHM C=C(c1ccccc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001242892569 823165639 /nfs/dbraw/zinc/16/56/39/823165639.db2.gz FBVBZWFSHKXRJQ-UHFFFAOYSA-N -1 3 266.279 3.067 20 0 CGADHM [S-]c1cccc(O[C@H]2CNCc3ccccc32)c1 ZINC001218487173 816242764 /nfs/dbraw/zinc/24/27/64/816242764.db2.gz RVQDNAWPIDZFLM-HNNXBMFYSA-N -1 3 257.358 3.199 20 0 CGADHM COc1cc(C)ccc1-c1ccc(C)c(-c2nnn[n-]2)c1 ZINC001242982982 823198736 /nfs/dbraw/zinc/19/87/36/823198736.db2.gz HPJKQEIZECDMNJ-UHFFFAOYSA-N -1 3 280.331 3.159 20 0 CGADHM COc1cc(C)ccc1-c1ccc(C)c(-c2nn[n-]n2)c1 ZINC001242982982 823198737 /nfs/dbraw/zinc/19/87/37/823198737.db2.gz HPJKQEIZECDMNJ-UHFFFAOYSA-N -1 3 280.331 3.159 20 0 CGADHM O=c1cc(-c2ccc(F)c([O-])c2)ccn1-c1ccccc1F ZINC001243046398 823223872 /nfs/dbraw/zinc/22/38/72/823223872.db2.gz GKVPFFYHINJHDG-UHFFFAOYSA-N -1 3 299.276 3.488 20 0 CGADHM [O-]c1cc(-c2ccnc(OC3CCOCC3)c2)ccc1F ZINC001243046562 823224011 /nfs/dbraw/zinc/22/40/11/823224011.db2.gz KRMYMHITLAIVCI-UHFFFAOYSA-N -1 3 289.306 3.151 20 0 CGADHM [O-]c1cc(-c2ccnc(OC(F)F)c2)ccc1F ZINC001243049865 823226453 /nfs/dbraw/zinc/22/64/53/823226453.db2.gz AQMIWVYQYUCCGZ-UHFFFAOYSA-N -1 3 255.195 3.195 20 0 CGADHM COc1cc(OC)c(-c2ccc(F)c([O-])c2)c(OC)c1 ZINC001243051968 823228371 /nfs/dbraw/zinc/22/83/71/823228371.db2.gz RESZIOWVHRWYPL-UHFFFAOYSA-N -1 3 278.279 3.224 20 0 CGADHM C[C@@H](Oc1ccc2c([O-])coc2c1)c1cnc2ccccn21 ZINC001225339767 817016740 /nfs/dbraw/zinc/01/67/40/817016740.db2.gz RTNXBQSFAHAJOW-LLVKDONJSA-N -1 3 294.310 3.049 20 0 CGADHM COc1cnccc1-c1ccc2c(c1)[N-]C(=S)C2 ZINC001243075903 823238392 /nfs/dbraw/zinc/23/83/92/823238392.db2.gz WPZXODLLLOBWNE-UHFFFAOYSA-N -1 3 256.330 3.053 20 0 CGADHM CCC[C@@H](CC)Oc1nc(=O)[n-]cc1C(F)(F)F ZINC001225578292 817099258 /nfs/dbraw/zinc/09/92/58/817099258.db2.gz CZIFOCBTQHBOMZ-SSDOTTSWSA-N -1 3 264.247 3.159 20 0 CGADHM CC[C@H](Oc1nc(=O)[n-]cc1C(F)(F)F)C(C)(C)C ZINC001225580117 817099546 /nfs/dbraw/zinc/09/95/46/817099546.db2.gz UMWSVDXKZRZXQA-QMMMGPOBSA-N -1 3 278.274 3.405 20 0 CGADHM Cc1cccc(OC[C@@H](C)Oc2[n-]c(=S)ncc2C)c1 ZINC001225741484 817163614 /nfs/dbraw/zinc/16/36/14/817163614.db2.gz WPJLBGCEKAUVTI-GFCCVEGCSA-N -1 3 290.388 3.228 20 0 CGADHM Cc1cccc2c1[C@H](Oc1[n-]c(=S)ncc1C)CC2 ZINC001225742759 817164260 /nfs/dbraw/zinc/16/42/60/817164260.db2.gz PFAPVTXPZDTXJW-GFCCVEGCSA-N -1 3 272.373 3.448 20 0 CGADHM CC(=O)c1ccc([O-])c(O[C@H](C)c2nccs2)c1 ZINC001225994766 817241780 /nfs/dbraw/zinc/24/17/80/817241780.db2.gz OAYBPXOBEZABLP-SECBINFHSA-N -1 3 263.318 3.191 20 0 CGADHM Fc1cc(-c2cc3ccccc3[nH]2)ccc1-c1nnn[n-]1 ZINC001243107193 823250093 /nfs/dbraw/zinc/25/00/93/823250093.db2.gz TZTBPUOFDGYCGS-UHFFFAOYSA-N -1 3 279.278 3.154 20 0 CGADHM Fc1cc(-c2cc3ccccc3[nH]2)ccc1-c1nn[n-]n1 ZINC001243107193 823250094 /nfs/dbraw/zinc/25/00/94/823250094.db2.gz TZTBPUOFDGYCGS-UHFFFAOYSA-N -1 3 279.278 3.154 20 0 CGADHM Fc1ccc(-c2nnn[n-]2)cc1-c1cc2ccccc2[nH]1 ZINC001243107281 823250428 /nfs/dbraw/zinc/25/04/28/823250428.db2.gz VLGFWIZQYBFTGK-UHFFFAOYSA-N -1 3 279.278 3.154 20 0 CGADHM Fc1ccc(-c2nn[n-]n2)cc1-c1cc2ccccc2[nH]1 ZINC001243107281 823250429 /nfs/dbraw/zinc/25/04/29/823250429.db2.gz VLGFWIZQYBFTGK-UHFFFAOYSA-N -1 3 279.278 3.154 20 0 CGADHM C[C@H](Oc1[n-]c(=S)ncc1C1CC1)c1ccncc1 ZINC001226117620 817278060 /nfs/dbraw/zinc/27/80/60/817278060.db2.gz RXXGZYNLJWHSNT-VIFPVBQESA-N -1 3 273.361 3.178 20 0 CGADHM CCCOc1ccccc1-c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001243126837 823255857 /nfs/dbraw/zinc/25/58/57/823255857.db2.gz WUYVKAAKTASMLZ-UHFFFAOYSA-N -1 3 298.321 3.462 20 0 CGADHM CCCOc1ccccc1-c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001243126837 823255862 /nfs/dbraw/zinc/25/58/62/823255862.db2.gz WUYVKAAKTASMLZ-UHFFFAOYSA-N -1 3 298.321 3.462 20 0 CGADHM CCc1nc(O[C@@H](C)c2ccc(F)c(F)c2)cc(=O)[n-]1 ZINC001226475408 817368617 /nfs/dbraw/zinc/36/86/17/817368617.db2.gz KYWFORQQVREHSV-QMMMGPOBSA-N -1 3 280.274 3.163 20 0 CGADHM CCc1nc(O[C@H](C)c2c(F)cccc2F)cc(=O)[n-]1 ZINC001226473513 817368643 /nfs/dbraw/zinc/36/86/43/817368643.db2.gz YXDRWSVYTULIJB-MRVPVSSYSA-N -1 3 280.274 3.163 20 0 CGADHM CC(=O)c1ccc([O-])c(O[C@H](C)C2CCCC2)c1O ZINC001226483276 817372227 /nfs/dbraw/zinc/37/22/27/817372227.db2.gz UCFGGJDJZFIACE-SNVBAGLBSA-N -1 3 264.321 3.258 20 0 CGADHM C[C@H]1CC[C@@H](Oc2[n-]c(=O)nc3nc(Cl)ccc32)CC1 ZINC001226556761 817397519 /nfs/dbraw/zinc/39/75/19/817397519.db2.gz QYXPDCVUXJCAGF-DTORHVGOSA-N -1 3 293.754 3.341 20 0 CGADHM C[C@@H]1CC[C@@H](Oc2c([O-])ccc3ccc(=O)oc32)C1 ZINC001226596622 817409892 /nfs/dbraw/zinc/40/98/92/817409892.db2.gz NECVXGXUZKVRRS-MWLCHTKSSA-N -1 3 260.289 3.066 20 0 CGADHM Cc1ccc([C@H](Oc2cnc[n-]c2=O)C(F)(F)F)cc1 ZINC001227048242 817543772 /nfs/dbraw/zinc/54/37/72/817543772.db2.gz AYTUXIJLDAMIRC-NSHDSACASA-N -1 3 284.237 3.173 20 0 CGADHM CCc1cnc(=S)[n-]c1O[C@@H]1CCOc2ccccc21 ZINC001227061511 817547003 /nfs/dbraw/zinc/54/70/03/817547003.db2.gz JTPPELAFMUGUPC-CYBMUJFWSA-N -1 3 288.372 3.230 20 0 CGADHM Cc1cc(COc2ccc(=O)[n-]n2)cc(C)c1OC(C)C ZINC001227093995 817556068 /nfs/dbraw/zinc/55/60/68/817556068.db2.gz XUSVPEZXOHHYLH-UHFFFAOYSA-N -1 3 288.347 3.165 20 0 CGADHM CCC[C@H](C)[C@@H](CC)Oc1nc(C(=O)OC)ccc1[O-] ZINC001227824407 817727695 /nfs/dbraw/zinc/72/76/95/817727695.db2.gz GWJVROITEPUPBA-GXFFZTMASA-N -1 3 281.352 3.167 20 0 CGADHM CCC[C@@H](C)[C@H](CC)Oc1nc(C(=O)OC)ccc1[O-] ZINC001227824408 817727794 /nfs/dbraw/zinc/72/77/94/817727794.db2.gz GWJVROITEPUPBA-MFKMUULPSA-N -1 3 281.352 3.167 20 0 CGADHM [O-]c1cc(Cl)cnc1O[C@@H]1CCc2ccccc2C1 ZINC001227980436 817771780 /nfs/dbraw/zinc/77/17/80/817771780.db2.gz ODJRQGJKKZSRFH-CYBMUJFWSA-N -1 3 275.735 3.377 20 0 CGADHM Cc1ccc2c(c1)CC[C@H]2Oc1[n-]c(=O)nc2cccnc21 ZINC001228000444 817779632 /nfs/dbraw/zinc/77/96/32/817779632.db2.gz LCIFINJZLKEHIC-CQSZACIVSA-N -1 3 293.326 3.105 20 0 CGADHM CCCc1c([O-])ccc(C(C)=O)c1OC1CC2(COC2)C1 ZINC001228135161 817820771 /nfs/dbraw/zinc/82/07/71/817820771.db2.gz XAYKRNOCIHHSBG-UHFFFAOYSA-N -1 3 290.359 3.105 20 0 CGADHM Cc1cc(=O)oc2c1ccc([O-])c2O[C@H]1CCCC[C@@H]1F ZINC001228621553 817955878 /nfs/dbraw/zinc/95/58/78/817955878.db2.gz CEJWBTWLMSXDSG-AAEUAGOBSA-N -1 3 292.306 3.467 20 0 CGADHM CSc1cc(F)c(-c2ccc(=S)[n-]n2)c(F)c1 ZINC001243222402 823299434 /nfs/dbraw/zinc/29/94/34/823299434.db2.gz ZWDZHFDYWBBRDD-UHFFFAOYSA-N -1 3 270.329 3.432 20 0 CGADHM C[C@H]1CC(Oc2nnc(-c3cccnc3)[n-]2)C[C@H](C)C1 ZINC001228695611 817975939 /nfs/dbraw/zinc/97/59/39/817975939.db2.gz NPQUCJMZVIIVRY-GHMZBOCLSA-N -1 3 272.352 3.070 20 0 CGADHM C[C@H]1CC(Oc2nc(-c3cccnc3)n[n-]2)C[C@H](C)C1 ZINC001228695611 817975948 /nfs/dbraw/zinc/97/59/48/817975948.db2.gz NPQUCJMZVIIVRY-GHMZBOCLSA-N -1 3 272.352 3.070 20 0 CGADHM C[C@H]1CC(Oc2n[n-]c(-c3cccnc3)n2)C[C@H](C)C1 ZINC001228695611 817975957 /nfs/dbraw/zinc/97/59/57/817975957.db2.gz NPQUCJMZVIIVRY-GHMZBOCLSA-N -1 3 272.352 3.070 20 0 CGADHM COc1ccc([C@@H](C)Oc2n[n-]c(-c3ccncc3)n2)cc1 ZINC001228697317 817976557 /nfs/dbraw/zinc/97/65/57/817976557.db2.gz JMSDUFJCDIQLNV-LLVKDONJSA-N -1 3 296.330 3.015 20 0 CGADHM COc1ccccc1[C@H](C)Oc1n[n-]c(-c2ccncc2)n1 ZINC001228696678 817977746 /nfs/dbraw/zinc/97/77/46/817977746.db2.gz BIKCEAWPOCAZFG-NSHDSACASA-N -1 3 296.330 3.015 20 0 CGADHM CC(C)CCC[C@@H](C)Oc1n[n-]c(-c2ccncc2)n1 ZINC001228699412 817978845 /nfs/dbraw/zinc/97/88/45/817978845.db2.gz DTVFBCCKVUWLNP-GFCCVEGCSA-N -1 3 274.368 3.460 20 0 CGADHM O=C1CCc2cc([O-])c(O[C@@H]3CCOc4ccccc43)cc21 ZINC001228854202 818022931 /nfs/dbraw/zinc/02/29/31/818022931.db2.gz OWKLAXYSUSJIQB-QGZVFWFLSA-N -1 3 296.322 3.424 20 0 CGADHM C[C@@H](Cc1ccco1)Oc1cc2c(cc1[O-])CCC2=O ZINC001228854099 818023055 /nfs/dbraw/zinc/02/30/55/818023055.db2.gz OCQDGQFUROGTGS-JTQLQIEISA-N -1 3 272.300 3.124 20 0 CGADHM CC(C)[C@@H](Oc1cc2c(cc1[O-])CCC2=O)C(F)(F)F ZINC001228855004 818023943 /nfs/dbraw/zinc/02/39/43/818023943.db2.gz AMJVVHWLTMIRLK-CYBMUJFWSA-N -1 3 288.265 3.487 20 0 CGADHM CN(Cc1cccnc1)Cc1ccc([O-])c(C(F)(F)F)c1 ZINC001231521283 818118962 /nfs/dbraw/zinc/11/89/62/818118962.db2.gz CRPHGXJBFLBQNK-UHFFFAOYSA-N -1 3 296.292 3.438 20 0 CGADHM C[C@]1(F)CCCN(Cc2ccc(F)c([O-])c2F)CC1 ZINC001232931113 818476171 /nfs/dbraw/zinc/47/61/71/818476171.db2.gz JIVPFEUSEYAXDE-AWEZNQCLSA-N -1 3 273.298 3.385 20 0 CGADHM [O-]c1cc(CN2CCC[C@H]3CCC[C@@H]32)cc(F)c1F ZINC001232973267 818486761 /nfs/dbraw/zinc/48/67/61/818486761.db2.gz RBQHNHMYKONWHT-YPMHNXCESA-N -1 3 267.319 3.435 20 0 CGADHM [O-]c1cccc(CN2Cc3cccc(F)c3C2)c1F ZINC001233053286 818513434 /nfs/dbraw/zinc/51/34/34/818513434.db2.gz NKLKROPHXGIGTA-UHFFFAOYSA-N -1 3 261.271 3.186 20 0 CGADHM Cc1ccc(CN(C)Cc2c(F)ccc([O-])c2F)cn1 ZINC001233396755 818610108 /nfs/dbraw/zinc/61/01/08/818610108.db2.gz TVISISVKORIGSA-UHFFFAOYSA-N -1 3 278.302 3.006 20 0 CGADHM CCCCOC(=O)[C@@H](C)Oc1c(Cl)ccc([O-])c1F ZINC001234266152 818820752 /nfs/dbraw/zinc/82/07/52/818820752.db2.gz ZCBSOMNBKAQIKJ-MRVPVSSYSA-N -1 3 290.718 3.295 20 0 CGADHM CC1(C)CC(Oc2nc3c(cccc3[O-])[nH]2)CC(C)(C)O1 ZINC001234445471 818856167 /nfs/dbraw/zinc/85/61/67/818856167.db2.gz AFKWAIXLUKLBCY-UHFFFAOYSA-N -1 3 290.363 3.384 20 0 CGADHM C[C@@H](COc1ccccc1)Oc1nc2c(cccc2[O-])[nH]1 ZINC001234447260 818856851 /nfs/dbraw/zinc/85/68/51/818856851.db2.gz LSEWEXCNYVONBK-NSHDSACASA-N -1 3 284.315 3.115 20 0 CGADHM [O-]c1cccc2[nH]c(O[C@H]3CCOc4ccccc43)nc21 ZINC001234448798 818857191 /nfs/dbraw/zinc/85/71/91/818857191.db2.gz ZHYVNLAZZQRCLH-AWEZNQCLSA-N -1 3 282.299 3.171 20 0 CGADHM CCCC(=O)[C@@H](CCC)Oc1nc2c(cccc2[O-])[nH]1 ZINC001234448804 818857907 /nfs/dbraw/zinc/85/79/07/818857907.db2.gz ZKWBSGCZUKNAEQ-CYBMUJFWSA-N -1 3 276.336 3.185 20 0 CGADHM C[C@H](Oc1nc(=O)[n-]c2c1SCCC2)c1cccs1 ZINC001234905272 818949241 /nfs/dbraw/zinc/94/92/41/818949241.db2.gz CTMVXFVCSHDWNH-QMMMGPOBSA-N -1 3 294.401 3.422 20 0 CGADHM CCOC(=O)Cc1cccnc1-c1cc([O-])cc(Cl)c1 ZINC001235901507 819211742 /nfs/dbraw/zinc/21/17/42/819211742.db2.gz VXJYHHCGKDRYJB-UHFFFAOYSA-N -1 3 291.734 3.213 20 0 CGADHM CCOC(=O)Cc1cccc(-c2cc([O-])cc(Cl)c2)n1 ZINC001235905341 819214817 /nfs/dbraw/zinc/21/48/17/819214817.db2.gz YRVPMEGHCYUEEK-UHFFFAOYSA-N -1 3 291.734 3.213 20 0 CGADHM [O-]c1cc(Cl)cc(-c2cnc(N3CCCC3)cn2)c1 ZINC001235907333 819216916 /nfs/dbraw/zinc/21/69/16/819216916.db2.gz YIIHFNWOHQVACB-UHFFFAOYSA-N -1 3 275.739 3.103 20 0 CGADHM [O-]c1cc(Cl)cc(-c2cc(O[C@@H]3CCOC3)ccn2)c1 ZINC001235909018 819217683 /nfs/dbraw/zinc/21/76/83/819217683.db2.gz MFKHXGOKGHORTD-CQSZACIVSA-N -1 3 291.734 3.275 20 0 CGADHM CN(Cc1ccc(F)c([O-])c1)Cc1ccccc1F ZINC001236705668 819576493 /nfs/dbraw/zinc/57/64/93/819576493.db2.gz PGNYSPDFWKHOOU-UHFFFAOYSA-N -1 3 263.287 3.302 20 0 CGADHM COc1cc2c(cc1OC)CN(Cc1occc1[S-])C2 ZINC001237186709 819691924 /nfs/dbraw/zinc/69/19/24/819691924.db2.gz NCLKXLPJNBFWBU-UHFFFAOYSA-N -1 3 291.372 3.101 20 0 CGADHM CC(C)(C)OC(=O)[C@H]1CCCCN1Cc1occc1[S-] ZINC001237192747 819694609 /nfs/dbraw/zinc/69/46/09/819694609.db2.gz USRUTQDNJNHZJW-LLVKDONJSA-N -1 3 297.420 3.265 20 0 CGADHM [O-]c1cc(F)cc(CN2CCc3ncc(Cl)cc3C2)c1 ZINC001237284400 819717172 /nfs/dbraw/zinc/71/71/72/819717172.db2.gz UXUVDZMXVKURCA-UHFFFAOYSA-N -1 3 292.741 3.138 20 0 CGADHM COc1ccc2nc(-c3cccc([O-])c3F)c(C)nc2c1 ZINC001243544892 823437015 /nfs/dbraw/zinc/43/70/15/823437015.db2.gz YFWQYZXDSBPZCR-UHFFFAOYSA-N -1 3 284.290 3.459 20 0 CGADHM [O-]c1cccc(-c2cc(C3OCCO3)ccc2F)c1F ZINC001243546179 823439019 /nfs/dbraw/zinc/43/90/19/823439019.db2.gz VUHBAAPMVXOBTJ-UHFFFAOYSA-N -1 3 278.254 3.383 20 0 CGADHM [O-]c1cc(F)c(CN2C[C@@H]3CCC[C@@H]3C2)cc1Cl ZINC001238142605 819940961 /nfs/dbraw/zinc/94/09/61/819940961.db2.gz HNKWBBKEBJJBMU-AOOOYVTPSA-N -1 3 269.747 3.417 20 0 CGADHM Cc1ccc(-c2ccc(Cc3nnn[n-]3)cc2)c(C)c1 ZINC001239810920 820625933 /nfs/dbraw/zinc/62/59/33/820625933.db2.gz STHNPJZDQOCVFB-UHFFFAOYSA-N -1 3 264.332 3.074 20 0 CGADHM Cc1ccc(-c2ccc(Cc3nn[n-]n3)cc2)c(C)c1 ZINC001239810920 820625938 /nfs/dbraw/zinc/62/59/38/820625938.db2.gz STHNPJZDQOCVFB-UHFFFAOYSA-N -1 3 264.332 3.074 20 0 CGADHM Cn1ccc2cc(-c3ccc(-c4nnn[n-]4)c(F)c3)ccc21 ZINC001239942099 820722653 /nfs/dbraw/zinc/72/26/53/820722653.db2.gz GLOMAOPNYGWVKF-UHFFFAOYSA-N -1 3 293.305 3.165 20 0 CGADHM Cn1ccc2cc(-c3ccc(-c4nn[n-]n4)c(F)c3)ccc21 ZINC001239942099 820722659 /nfs/dbraw/zinc/72/26/59/820722659.db2.gz GLOMAOPNYGWVKF-UHFFFAOYSA-N -1 3 293.305 3.165 20 0 CGADHM O=C(c1cccc(-c2ccc(=S)[n-]n2)c1)N1CCCCC1 ZINC001240063755 820808104 /nfs/dbraw/zinc/80/81/04/820808104.db2.gz QGQMDKHCAKVYFY-UHFFFAOYSA-N -1 3 299.399 3.058 20 0 CGADHM NC(=O)c1cc2cc(-c3ccc([O-])c(F)c3)ccc2o1 ZINC001240786336 821327849 /nfs/dbraw/zinc/32/78/49/821327849.db2.gz HEOUYSFYORTQOE-UHFFFAOYSA-N -1 3 271.247 3.043 20 0 CGADHM O=C1c2c(cccc2-c2ccc([O-])c(F)c2)CN1C1CC1 ZINC001240790062 821332609 /nfs/dbraw/zinc/33/26/09/821332609.db2.gz IVKJNDSABNIVKR-UHFFFAOYSA-N -1 3 283.302 3.317 20 0 CGADHM Fc1ccc(-c2ccc(-c3nnn[n-]3)c(F)c2)c(F)c1F ZINC001240992651 821474640 /nfs/dbraw/zinc/47/46/40/821474640.db2.gz KZSBXIKNEPWLHL-UHFFFAOYSA-N -1 3 294.211 3.090 20 0 CGADHM Fc1ccc(-c2ccc(-c3nn[n-]n3)c(F)c2)c(F)c1F ZINC001240992651 821474644 /nfs/dbraw/zinc/47/46/44/821474644.db2.gz KZSBXIKNEPWLHL-UHFFFAOYSA-N -1 3 294.211 3.090 20 0 CGADHM Cc1nc(C(F)(F)F)nc(-c2ccccc2[O-])c1C ZINC001241003635 821483210 /nfs/dbraw/zinc/48/32/10/821483210.db2.gz QIHITIQZSLVZDW-UHFFFAOYSA-N -1 3 268.238 3.485 20 0 CGADHM CSc1cc(-c2ccccc2[O-])nc(SC)n1 ZINC001241007920 821484574 /nfs/dbraw/zinc/48/45/74/821484574.db2.gz COSOVDVBVLLEJM-UHFFFAOYSA-N -1 3 264.375 3.293 20 0 CGADHM CCCCN(C)c1cncc(-c2ccccc2[O-])n1 ZINC001241009496 821487033 /nfs/dbraw/zinc/48/70/33/821487033.db2.gz SMXFZTAYEGAEAW-UHFFFAOYSA-N -1 3 257.337 3.086 20 0 CGADHM CC(C)(C)C(=O)Nc1cccnc1-c1ccccc1[O-] ZINC001241014131 821489474 /nfs/dbraw/zinc/48/94/74/821489474.db2.gz VRQNHVWEZIBJMC-UHFFFAOYSA-N -1 3 270.332 3.439 20 0 CGADHM Cc1ccc(-c2nc(C(F)(F)F)nc3[nH]cnc32)c([O-])c1 ZINC001241036167 821511554 /nfs/dbraw/zinc/51/15/54/821511554.db2.gz QFQSDKLVKYLXRG-UHFFFAOYSA-N -1 3 294.236 3.004 20 0 CGADHM COc1cc(C)c(-c2ccccc2-c2nnn[n-]2)cc1C ZINC001241135242 821590033 /nfs/dbraw/zinc/59/00/33/821590033.db2.gz BBOWAMYUPDPMMC-UHFFFAOYSA-N -1 3 280.331 3.159 20 0 CGADHM COc1cc(C)c(-c2ccccc2-c2nn[n-]n2)cc1C ZINC001241135242 821590035 /nfs/dbraw/zinc/59/00/35/821590035.db2.gz BBOWAMYUPDPMMC-UHFFFAOYSA-N -1 3 280.331 3.159 20 0 CGADHM CC(C)(C)Oc1ncccc1-c1ccc(-c2nnn[n-]2)cc1 ZINC001241143309 821597153 /nfs/dbraw/zinc/59/71/53/821597153.db2.gz PWLGPOCVWHCYPB-UHFFFAOYSA-N -1 3 295.346 3.106 20 0 CGADHM CC(C)(C)Oc1ncccc1-c1ccc(-c2nn[n-]n2)cc1 ZINC001241143309 821597158 /nfs/dbraw/zinc/59/71/58/821597158.db2.gz PWLGPOCVWHCYPB-UHFFFAOYSA-N -1 3 295.346 3.106 20 0 CGADHM COc1ccc2c(c1)ncnc2-c1cc([O-])cc(F)c1 ZINC001241255944 821676338 /nfs/dbraw/zinc/67/63/38/821676338.db2.gz HWSFDFFPNHHIAP-UHFFFAOYSA-N -1 3 270.263 3.150 20 0 CGADHM Cc1ccc2nc(-c3cc([O-])cc(F)c3)ccc2n1 ZINC001241256577 821676763 /nfs/dbraw/zinc/67/67/63/821676763.db2.gz YATTZGOKOWVLOB-UHFFFAOYSA-N -1 3 254.264 3.450 20 0 CGADHM CCC(=O)NCc1cccc(-c2cc([O-])cc(F)c2)c1 ZINC001241266098 821685805 /nfs/dbraw/zinc/68/58/05/821685805.db2.gz DLKIZPJQYPANAE-UHFFFAOYSA-N -1 3 273.307 3.225 20 0 CGADHM CC(=O)N1CCc2cc(-c3cc([O-])cc(F)c3)ccc21 ZINC001241271637 821690043 /nfs/dbraw/zinc/69/00/43/821690043.db2.gz IIZQERLMVXEDNG-UHFFFAOYSA-N -1 3 271.291 3.107 20 0 CGADHM COC(=O)c1cc2ccc(-c3cc([O-])cc(F)c3)cc2n1C ZINC001241271382 821690379 /nfs/dbraw/zinc/69/03/79/821690379.db2.gz FDIYRGPHECUNJO-UHFFFAOYSA-N -1 3 299.301 3.477 20 0 CGADHM [O-]c1cc(F)cc(-c2ccc(N3CCCC3)nc2)c1 ZINC001241272823 821691143 /nfs/dbraw/zinc/69/11/43/821691143.db2.gz ZSYWSQKSXFDIPX-UHFFFAOYSA-N -1 3 258.296 3.194 20 0 CGADHM CCOc1ccc(-c2ccc(-c3nnn[n-]3)cc2)c(F)c1 ZINC001241276067 821695336 /nfs/dbraw/zinc/69/53/36/821695336.db2.gz PJUMENCUZKMXOD-UHFFFAOYSA-N -1 3 284.294 3.072 20 0 CGADHM CCOc1ccc(-c2ccc(-c3nn[n-]n3)cc2)c(F)c1 ZINC001241276067 821695341 /nfs/dbraw/zinc/69/53/41/821695341.db2.gz PJUMENCUZKMXOD-UHFFFAOYSA-N -1 3 284.294 3.072 20 0 CGADHM COC(=O)c1ccc(N(C)C)c(-c2cc([O-])cc(F)c2)c1 ZINC001241277108 821695545 /nfs/dbraw/zinc/69/55/45/821695545.db2.gz GMSPTFYALKNSDG-UHFFFAOYSA-N -1 3 289.306 3.051 20 0 CGADHM COCc1cc(OC)ccc1-c1cc([O-])cc(F)c1 ZINC001241280068 821698873 /nfs/dbraw/zinc/69/88/73/821698873.db2.gz BESLKGPGXFAICZ-UHFFFAOYSA-N -1 3 262.280 3.353 20 0 CGADHM COc1ncnc2ccc(-c3c(F)ccc([O-])c3F)cc21 ZINC001241290713 821708421 /nfs/dbraw/zinc/70/84/21/821708421.db2.gz DRTFKMWDWMFVBI-UHFFFAOYSA-N -1 3 288.253 3.289 20 0 CGADHM [O-]c1ccc(F)c(-c2ccc(N3CCCC3)nc2)c1F ZINC001241292683 821708911 /nfs/dbraw/zinc/70/89/11/821708911.db2.gz HNAADNMTERJXER-UHFFFAOYSA-N -1 3 276.286 3.333 20 0 CGADHM COC(=O)c1cc(C)ccc1-c1c(F)ccc([O-])c1F ZINC001241293599 821710387 /nfs/dbraw/zinc/71/03/87/821710387.db2.gz JVSZAJUTYVQFQF-UHFFFAOYSA-N -1 3 278.254 3.432 20 0 CGADHM CSc1cncc(-c2c(F)ccc([O-])c2F)c1 ZINC001241292946 821711158 /nfs/dbraw/zinc/71/11/58/821711158.db2.gz ONNQTNGJQZYXNJ-UHFFFAOYSA-N -1 3 253.273 3.454 20 0 CGADHM COC(=O)c1ccc(OC)c(-c2c(F)ccc([O-])c2F)c1 ZINC001241294294 821712676 /nfs/dbraw/zinc/71/26/76/821712676.db2.gz ZOOFAZPNOYQCNX-UHFFFAOYSA-N -1 3 294.253 3.133 20 0 CGADHM Nc1ccc2cccc(-c3c(F)ccc([O-])c3F)c2n1 ZINC001241294252 821713089 /nfs/dbraw/zinc/71/30/89/821713089.db2.gz YTBYFXHIXOSXTP-UHFFFAOYSA-N -1 3 272.254 3.468 20 0 CGADHM COc1cc(-c2c(F)ccc([O-])c2F)cc(C)n1 ZINC001241295432 821713635 /nfs/dbraw/zinc/71/36/35/821713635.db2.gz QSZMPUMAAQLECV-UHFFFAOYSA-N -1 3 251.232 3.049 20 0 CGADHM CC(C)(C)Oc1cccc(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC001241442770 821836316 /nfs/dbraw/zinc/83/63/16/821836316.db2.gz QMEXQMCPTJNESJ-UHFFFAOYSA-N -1 3 295.346 3.106 20 0 CGADHM CC(C)(C)Oc1cccc(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC001241442770 821836325 /nfs/dbraw/zinc/83/63/25/821836325.db2.gz QMEXQMCPTJNESJ-UHFFFAOYSA-N -1 3 295.346 3.106 20 0 CGADHM Cc1cc(-c2ccc(-c3nnn[n-]3)cc2)c(F)cc1F ZINC001241442725 821837361 /nfs/dbraw/zinc/83/73/61/821837361.db2.gz FGJQMONKNUBAAQ-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM Cc1cc(-c2ccc(-c3nn[n-]n3)cc2)c(F)cc1F ZINC001241442725 821837368 /nfs/dbraw/zinc/83/73/68/821837368.db2.gz FGJQMONKNUBAAQ-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM Fc1cnc2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc2c1 ZINC001241444422 821838033 /nfs/dbraw/zinc/83/80/33/821838033.db2.gz BXAWHANMIQSELA-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Fc1cnc2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc2c1 ZINC001241444422 821838038 /nfs/dbraw/zinc/83/80/38/821838038.db2.gz BXAWHANMIQSELA-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM COc1cc(C)c(-c2ccc(-c3nnn[n-]3)cc2)c(C)c1 ZINC001241444841 821839336 /nfs/dbraw/zinc/83/93/36/821839336.db2.gz WYPABDBMLIRTPC-UHFFFAOYSA-N -1 3 280.331 3.159 20 0 CGADHM COc1cc(C)c(-c2ccc(-c3nn[n-]n3)cc2)c(C)c1 ZINC001241444841 821839341 /nfs/dbraw/zinc/83/93/41/821839341.db2.gz WYPABDBMLIRTPC-UHFFFAOYSA-N -1 3 280.331 3.159 20 0 CGADHM Cc1c(F)ccc(-c2ccc(-c3nnn[n-]3)cc2)c1F ZINC001241445999 821840142 /nfs/dbraw/zinc/84/01/42/821840142.db2.gz ZZWMHKOKKGUHEY-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM Cc1c(F)ccc(-c2ccc(-c3nn[n-]n3)cc2)c1F ZINC001241445999 821840147 /nfs/dbraw/zinc/84/01/47/821840147.db2.gz ZZWMHKOKKGUHEY-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM CC(C)Oc1cc(F)ccc1-c1ccc(-c2nnn[n-]2)cc1 ZINC001241445504 821841705 /nfs/dbraw/zinc/84/17/05/821841705.db2.gz PTNDNVMJZDZIPF-UHFFFAOYSA-N -1 3 298.321 3.460 20 0 CGADHM CC(C)Oc1cc(F)ccc1-c1ccc(-c2nn[n-]n2)cc1 ZINC001241445504 821841714 /nfs/dbraw/zinc/84/17/14/821841714.db2.gz PTNDNVMJZDZIPF-UHFFFAOYSA-N -1 3 298.321 3.460 20 0 CGADHM COc1ccc(C)c(-c2ccc(C)c(-c3nnn[n-]3)c2)c1 ZINC001241680109 822063215 /nfs/dbraw/zinc/06/32/15/822063215.db2.gz HGUDYEHHBFXGLZ-UHFFFAOYSA-N -1 3 280.331 3.159 20 0 CGADHM COc1ccc(C)c(-c2ccc(C)c(-c3nn[n-]n3)c2)c1 ZINC001241680109 822063224 /nfs/dbraw/zinc/06/32/24/822063224.db2.gz HGUDYEHHBFXGLZ-UHFFFAOYSA-N -1 3 280.331 3.159 20 0 CGADHM CCCOc1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC001241747810 822120743 /nfs/dbraw/zinc/12/07/43/822120743.db2.gz KUYYICBPXYKUDJ-UHFFFAOYSA-N -1 3 280.331 3.323 20 0 CGADHM CCCOc1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC001241747810 822120746 /nfs/dbraw/zinc/12/07/46/822120746.db2.gz KUYYICBPXYKUDJ-UHFFFAOYSA-N -1 3 280.331 3.323 20 0 CGADHM CN(C)/C=C/c1ccncc1-c1cc(F)cc(C(=O)[O-])c1 ZINC001241837146 822173022 /nfs/dbraw/zinc/17/30/22/822173022.db2.gz MSVMIMLJWNLCJA-GQCTYLIASA-N -1 3 286.306 3.118 20 0 CGADHM C=Cc1ccccc1-c1cc(-c2nnn[n-]2)ccc1F ZINC001242010732 822274633 /nfs/dbraw/zinc/27/46/33/822274633.db2.gz PLTGCKQHPWRABW-UHFFFAOYSA-N -1 3 266.279 3.316 20 0 CGADHM C=Cc1ccccc1-c1cc(-c2nn[n-]n2)ccc1F ZINC001242010732 822274640 /nfs/dbraw/zinc/27/46/40/822274640.db2.gz PLTGCKQHPWRABW-UHFFFAOYSA-N -1 3 266.279 3.316 20 0 CGADHM Cc1ccc(-c2cc(F)cc(-c3nnn[n-]3)c2)c(F)c1F ZINC001242031256 822295084 /nfs/dbraw/zinc/29/50/84/822295084.db2.gz DZBQIOBOQQHNDI-UHFFFAOYSA-N -1 3 290.248 3.259 20 0 CGADHM Cc1ccc(-c2cc(F)cc(-c3nn[n-]n3)c2)c(F)c1F ZINC001242031256 822295092 /nfs/dbraw/zinc/29/50/92/822295092.db2.gz DZBQIOBOQQHNDI-UHFFFAOYSA-N -1 3 290.248 3.259 20 0 CGADHM CC(C)n1cc(-c2ccc([O-])c(C(F)(F)F)c2)cnc1=O ZINC001242166364 822900854 /nfs/dbraw/zinc/90/08/54/822900854.db2.gz QLGYCJVZZOAZKF-UHFFFAOYSA-N -1 3 298.264 3.216 20 0 CGADHM COC(=O)c1cc2ccc(-c3ccc(F)cc3[O-])cc2[nH]1 ZINC001242218124 822914695 /nfs/dbraw/zinc/91/46/95/822914695.db2.gz TZBPJNNKRZXSJR-UHFFFAOYSA-N -1 3 285.274 3.466 20 0 CGADHM CC1(C)CNC(=O)c2cccc(-c3ccc(F)cc3[O-])c21 ZINC001242219905 822916467 /nfs/dbraw/zinc/91/64/67/822916467.db2.gz WMAXLPJDLRPZQP-UHFFFAOYSA-N -1 3 285.318 3.219 20 0 CGADHM [O-]c1cc(F)ccc1-c1ccc(Cn2ccnc2)cc1 ZINC001242221842 822917427 /nfs/dbraw/zinc/91/74/27/822917427.db2.gz YBKGAQQORBQUHL-UHFFFAOYSA-N -1 3 268.291 3.443 20 0 CGADHM O=C1CCc2cc(-c3cccc(F)c3[O-])ccc2N1 ZINC001242350680 822961131 /nfs/dbraw/zinc/96/11/31/822961131.db2.gz IJMLDGVIGPXKNV-UHFFFAOYSA-N -1 3 257.264 3.083 20 0 CGADHM [O-]c1c(F)cccc1-c1ccc2c(c1)[C@H](O)CCO2 ZINC001242350658 822961459 /nfs/dbraw/zinc/96/14/59/822961459.db2.gz JLBDUVGJDBDZOC-CYBMUJFWSA-N -1 3 260.264 3.014 20 0 CGADHM CCOC(=O)COc1ccccc1-c1cccc(F)c1[O-] ZINC001242352413 822961676 /nfs/dbraw/zinc/96/16/76/822961676.db2.gz HAPXQOKAAXZHKA-UHFFFAOYSA-N -1 3 290.290 3.140 20 0 CGADHM Cc1cc(-c2nnn[n-]2)ccc1-c1cccc2ccncc21 ZINC001242373210 822972144 /nfs/dbraw/zinc/97/21/44/822972144.db2.gz RDDYBEVTKRGXFT-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM Cc1cc(-c2nn[n-]n2)ccc1-c1cccc2ccncc21 ZINC001242373210 822972146 /nfs/dbraw/zinc/97/21/46/822972146.db2.gz RDDYBEVTKRGXFT-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM O=C(Nc1cccc([O-])c1F)C12CCC(CC1)CC2 ZINC001338927368 936339942 /nfs/dbraw/zinc/33/99/42/936339942.db2.gz VWEBACTUQWNUJV-UHFFFAOYSA-N -1 3 263.312 3.440 20 0 CGADHM C[C@H](CCC[C@H](C)C(=O)[O-])NCc1nc2c(s1)CCC2 ZINC001339010410 936344113 /nfs/dbraw/zinc/34/41/13/936344113.db2.gz JOPIWZBVVGTRMO-WDEREUQCSA-N -1 3 296.436 3.001 20 0 CGADHM O=C([N-]c1noc2c1CCCC2)c1c(F)cc(F)cc1F ZINC001340895223 936418751 /nfs/dbraw/zinc/41/87/51/936418751.db2.gz REJHSUPYMQVLKE-UHFFFAOYSA-N -1 3 296.248 3.223 20 0 CGADHM Cc1ccccc1C(F)(F)C(=O)[N-][C@@H]1CCCC1(F)F ZINC001343041162 936487693 /nfs/dbraw/zinc/48/76/93/936487693.db2.gz BKETZRRIHJGIHE-LLVKDONJSA-N -1 3 289.272 3.391 20 0 CGADHM CCOC[C@@H](C)OC(=O)c1cccc2[n-]c(C(F)F)nc21 ZINC001348316118 936917481 /nfs/dbraw/zinc/91/74/81/936917481.db2.gz RAKZRCVGJXTLGQ-MRVPVSSYSA-N -1 3 298.289 3.082 20 0 CGADHM CSc1ccncc1[N-]C(=O)c1nc(C2CC2)cs1 ZINC001349287962 936945777 /nfs/dbraw/zinc/94/57/77/936945777.db2.gz ICVAZYAABLPIGX-UHFFFAOYSA-N -1 3 291.401 3.390 20 0 CGADHM CC[C@@H](C)CC[C@H](C)Oc1nc(C(=O)OC)ccc1[O-] ZINC001227826528 927269226 /nfs/dbraw/zinc/26/92/26/927269226.db2.gz SJZMTQHSZILNGC-MNOVXSKESA-N -1 3 281.352 3.167 20 0 CGADHM Cc1coc(C(=O)[N-]c2nc(-c3cccs3)ns2)c1 ZINC001357747308 937179513 /nfs/dbraw/zinc/17/95/13/937179513.db2.gz JAHQGCIGEHBAQU-UHFFFAOYSA-N -1 3 291.357 3.420 20 0 CGADHM O=c1[n-]c([C@@H]2CCCN(CCCC3CCCCC3)C2)n[nH]1 ZINC001414003020 937200320 /nfs/dbraw/zinc/20/03/20/937200320.db2.gz QYYIXTLYHKUILZ-CQSZACIVSA-N -1 3 292.427 3.050 20 0 CGADHM Cc1cc(C(=O)[N-]c2c(F)cccc2Cl)on1 ZINC001435866156 928085433 /nfs/dbraw/zinc/08/54/33/928085433.db2.gz TYMPEHJPJNSINN-UHFFFAOYSA-N -1 3 254.648 3.028 20 0 CGADHM C[C@@H](CC(=O)[N-]OCCOc1ccccc1)c1ccccc1 ZINC000062515209 928097710 /nfs/dbraw/zinc/09/77/10/928097710.db2.gz ICSXNCWBXGHRNF-HNNXBMFYSA-N -1 3 299.370 3.307 20 0 CGADHM O=C([N-]c1c2nsnc2ccc1Cl)c1ccsn1 ZINC001360687528 937222339 /nfs/dbraw/zinc/22/23/39/937222339.db2.gz NHYVPUQMJXFUJS-UHFFFAOYSA-N -1 3 296.764 3.054 20 0 CGADHM CO/C(=C\c1ccccc1)C(=O)Nc1cccc([O-])c1F ZINC001545835767 937248253 /nfs/dbraw/zinc/24/82/53/937248253.db2.gz NFFGTXMFGAKYRI-UVTDQMKNSA-N -1 3 287.290 3.157 20 0 CGADHM O=C([N-]c1cnoc1)c1cc2c(ccnc2Cl)s1 ZINC001435002242 937251533 /nfs/dbraw/zinc/25/15/33/937251533.db2.gz WORXHZUVHFAXHU-UHFFFAOYSA-N -1 3 279.708 3.190 20 0 CGADHM C[C@@H]1CSCCN1C(=O)c1cc2sccc2c([O-])c1 ZINC001444618666 937353406 /nfs/dbraw/zinc/35/34/06/937353406.db2.gz FYPPZQWEOXKDCQ-SECBINFHSA-N -1 3 293.413 3.184 20 0 CGADHM C[C@H](C(=O)Nc1[nH][n-]c2cc(=O)ccc1-2)c1ccsc1 ZINC001450051636 937382385 /nfs/dbraw/zinc/38/23/85/937382385.db2.gz RHEQHQAQEIKCOS-QMMMGPOBSA-N -1 3 287.344 3.072 20 0 CGADHM CCc1ccc(C(=O)NC[C@@H]2CC[C@H]3C[C@H]3C2)c([O-])c1 ZINC001453978862 937406288 /nfs/dbraw/zinc/40/62/88/937406288.db2.gz VEVQAYJWUKHWIG-HZSPNIEDSA-N -1 3 273.376 3.121 20 0 CGADHM O=C(/C=C/c1ccccc1F)[N-]Oc1ccccc1F ZINC001455482418 937418807 /nfs/dbraw/zinc/41/88/07/937418807.db2.gz QVHZBCLSJVTPIH-MDZDMXLPSA-N -1 3 275.254 3.088 20 0 CGADHM [O-]c1cc(Br)cnc1O[C@@H]1C=CCCC1 ZINC001228955903 932058296 /nfs/dbraw/zinc/05/82/96/932058296.db2.gz MLTLXCWZQGBBAW-SECBINFHSA-N -1 3 270.126 3.037 20 0 CGADHM CCCC(CCC)Oc1ccc(-c2nnn[n-]2)cc1OC ZINC001229337837 932136218 /nfs/dbraw/zinc/13/62/18/932136218.db2.gz MBRMSZKAHGCQKN-UHFFFAOYSA-N -1 3 290.367 3.223 20 0 CGADHM CCCC(CCC)Oc1ccc(-c2nn[n-]n2)cc1OC ZINC001229337837 932136220 /nfs/dbraw/zinc/13/62/20/932136220.db2.gz MBRMSZKAHGCQKN-UHFFFAOYSA-N -1 3 290.367 3.223 20 0 CGADHM Cc1csc2[n-]c(=S)nc(O[C@@H]3C=CCC3)c12 ZINC001229351947 932138310 /nfs/dbraw/zinc/13/83/10/932138310.db2.gz DYRFRWIZJYTYEU-MRVPVSSYSA-N -1 3 264.375 3.386 20 0 CGADHM CC(C)[C@H]1CC[C@H](Oc2ccccc2-c2nnn[n-]2)CC1 ZINC001229949806 932507640 /nfs/dbraw/zinc/50/76/40/932507640.db2.gz GOYIKLZXTOYLOZ-JOCQHMNTSA-N -1 3 286.379 3.460 20 0 CGADHM CC(C)[C@H]1CC[C@H](Oc2ccccc2-c2nn[n-]n2)CC1 ZINC001229949806 932507644 /nfs/dbraw/zinc/50/76/44/932507644.db2.gz GOYIKLZXTOYLOZ-JOCQHMNTSA-N -1 3 286.379 3.460 20 0 CGADHM COc1cccc([C@H](C)Oc2ccccc2-c2nnn[n-]2)c1 ZINC001229954487 932509616 /nfs/dbraw/zinc/50/96/16/932509616.db2.gz LITHYDRQCFAKGD-NSHDSACASA-N -1 3 296.330 3.015 20 0 CGADHM COc1cccc([C@H](C)Oc2ccccc2-c2nn[n-]n2)c1 ZINC001229954487 932509622 /nfs/dbraw/zinc/50/96/22/932509622.db2.gz LITHYDRQCFAKGD-NSHDSACASA-N -1 3 296.330 3.015 20 0 CGADHM C[C@@H](Oc1[n-]c(=O)nc2cccc(F)c21)c1nccs1 ZINC001231075012 932672779 /nfs/dbraw/zinc/67/27/79/932672779.db2.gz VONZXMBCTSGJGT-SSDOTTSWSA-N -1 3 291.307 3.071 20 0 CGADHM CC[C@H]1[C@H](C)CCN1Cc1ccc([O-])c(F)c1F ZINC001462142533 937620824 /nfs/dbraw/zinc/62/08/24/937620824.db2.gz XARLEDMBFFBGTO-KOLCDFICSA-N -1 3 255.308 3.291 20 0 CGADHM Cc1c[nH]c([N-]c2nc(-c3cccc(C)c3)ns2)n1 ZINC001306997620 932907255 /nfs/dbraw/zinc/90/72/55/932907255.db2.gz VJTWMDMTRPUTKE-UHFFFAOYSA-N -1 3 271.349 3.289 20 0 CGADHM CO[C@@]1(C)CCCN(Cc2ccc([O-])c(F)c2F)CC1 ZINC001308737188 933166735 /nfs/dbraw/zinc/16/67/35/933166735.db2.gz DAPDTQSGFQEORW-HNNXBMFYSA-N -1 3 285.334 3.061 20 0 CGADHM CC1(C)C[C@]1(C)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC001309809459 933244640 /nfs/dbraw/zinc/24/46/40/933244640.db2.gz LPQSESLKTLFSQE-LLVKDONJSA-N -1 3 293.841 3.116 20 0 CGADHM CCc1ccc(C(=O)NC[C@H]2Cc3ccccc32)c([O-])c1 ZINC001464316071 937688897 /nfs/dbraw/zinc/68/88/97/937688897.db2.gz IEEHZDCDCJCCNA-CQSZACIVSA-N -1 3 281.355 3.024 20 0 CGADHM CCS[C@H]1CCCC[C@@H]1NC(=O)c1ccc(C)cc1[O-] ZINC001465729126 937703149 /nfs/dbraw/zinc/70/31/49/937703149.db2.gz DLFZSBQAFUHVOP-ZFWWWQNUSA-N -1 3 293.432 3.495 20 0 CGADHM CCC[C@@H](CC1CCCCC1)C(=O)Nc1nnc(OC)[n-]1 ZINC001466101248 937706635 /nfs/dbraw/zinc/70/66/35/937706635.db2.gz HCNZUOAJMCAFOV-LBPRGKRZSA-N -1 3 294.399 3.139 20 0 CGADHM CCC[C@@H](CC1CCCCC1)C(=O)Nc1n[n-]c(OC)n1 ZINC001466101248 937706636 /nfs/dbraw/zinc/70/66/36/937706636.db2.gz HCNZUOAJMCAFOV-LBPRGKRZSA-N -1 3 294.399 3.139 20 0 CGADHM CCC[C@@H](CC1CCCCC1)C(=O)Nc1nc(OC)n[n-]1 ZINC001466101248 937706637 /nfs/dbraw/zinc/70/66/37/937706637.db2.gz HCNZUOAJMCAFOV-LBPRGKRZSA-N -1 3 294.399 3.139 20 0 CGADHM O=C(N[C@H]1[C@@H]2CCC[C@@H]21)c1cc2sccc2c([O-])c1 ZINC001467515363 937718691 /nfs/dbraw/zinc/71/86/91/937718691.db2.gz GZXWEQMUVGWPJP-MSRIBSCDSA-N -1 3 273.357 3.135 20 0 CGADHM O=C(CCNc1ccccc1)Nc1cc(Cl)ccc1[O-] ZINC001319527807 933888621 /nfs/dbraw/zinc/88/86/21/933888621.db2.gz YSSKFZUQHSXBQR-UHFFFAOYSA-N -1 3 290.750 3.486 20 0 CGADHM C[C@H](NC(=O)c1c([O-])cccc1O)[C@H]1CCC[C@@H](C)C1 ZINC001472578319 937777951 /nfs/dbraw/zinc/77/79/51/937777951.db2.gz AMZZWLPPGASRQJ-WOPDTQHZSA-N -1 3 277.364 3.042 20 0 CGADHM CC(C)c1nc(CN[C@@H](C)[C@H](C(=O)[O-])C(C)C)cs1 ZINC001325880124 934936704 /nfs/dbraw/zinc/93/67/04/934936704.db2.gz ROTZMDBOXJONHG-CMPLNLGQSA-N -1 3 284.425 3.101 20 0 CGADHM CC(C)c1nsc([N-]C(=O)c2cnc(C3CC3)s2)n1 ZINC001329868206 935249798 /nfs/dbraw/zinc/24/97/98/935249798.db2.gz XUTYCHDOEXEVOX-UHFFFAOYSA-N -1 3 294.405 3.248 20 0 CGADHM Cc1ccc2c(CC(=O)[N-]OC3CCC3)coc2c1C ZINC001330081322 935267091 /nfs/dbraw/zinc/26/70/91/935267091.db2.gz LBBMPHFGSGUOLE-UHFFFAOYSA-N -1 3 273.332 3.192 20 0 CGADHM C/C=C/COc1cccc(CC(=O)[N-]OC(C)(C)C)c1 ZINC001330591720 935300000 /nfs/dbraw/zinc/30/00/00/935300000.db2.gz WDIYRKJXWZZWDQ-AATRIKPKSA-N -1 3 277.364 3.030 20 0 CGADHM CC(C)(C)O[N-]C(=O)Cc1coc2cc(Cl)ccc12 ZINC001331870121 935416345 /nfs/dbraw/zinc/41/63/45/935416345.db2.gz WYUGIELXPJIKRU-UHFFFAOYSA-N -1 3 281.739 3.475 20 0 CGADHM CC(C)Cc1coc([N-]C(=O)c2ncc(Cl)s2)n1 ZINC001332372296 935463515 /nfs/dbraw/zinc/46/35/15/935463515.db2.gz CFLIJEOEVSQYEP-UHFFFAOYSA-N -1 3 285.756 3.235 20 0 CGADHM Cc1cnc(CNC[C@H](CC(=O)[O-])C2CCCCCC2)o1 ZINC001334053654 936081726 /nfs/dbraw/zinc/08/17/26/936081726.db2.gz CBWMVOCNMBGLDN-AWEZNQCLSA-N -1 3 294.395 3.134 20 0 CGADHM Cc1noc(C2CC2)c1[N-]C(=O)c1ccc(Cl)nc1F ZINC001334917925 936122693 /nfs/dbraw/zinc/12/26/93/936122693.db2.gz FXOXAUCDLFCXFG-UHFFFAOYSA-N -1 3 295.701 3.300 20 0 CGADHM CN(C(=O)c1c[n-]c2ccccc2c1=O)C1CCCCCC1 ZINC001336590910 936199995 /nfs/dbraw/zinc/19/99/95/936199995.db2.gz IMIOKWPRUFWQNE-UHFFFAOYSA-N -1 3 298.386 3.323 20 0 CGADHM CC(C)[C@@]1(C)C[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC001475371123 937882983 /nfs/dbraw/zinc/88/29/83/937882983.db2.gz NQEALXDUQGHYOB-GZMMTYOYSA-N -1 3 293.841 3.114 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2ccc(SC)nc2)c1 ZINC001546335245 938000573 /nfs/dbraw/zinc/00/05/73/938000573.db2.gz PYDBARANXLLKPA-UHFFFAOYSA-N -1 3 288.372 3.324 20 0 CGADHM CCCCc1nnc([N-]C(=O)c2cnoc2C(C)C)s1 ZINC001520814187 938027788 /nfs/dbraw/zinc/02/77/88/938027788.db2.gz VFDWEWMBTOGNRD-UHFFFAOYSA-N -1 3 294.380 3.244 20 0 CGADHM O=C([N-]c1ccnc(F)c1F)c1cc2cc(F)ccc2o1 ZINC001532779508 938087976 /nfs/dbraw/zinc/08/79/76/938087976.db2.gz FZWRCXVWLQZZSR-UHFFFAOYSA-N -1 3 292.216 3.497 20 0 CGADHM CCc1ccc(C(=O)NCc2ccc(F)c(F)c2)c([O-])c1 ZINC001540704363 938133138 /nfs/dbraw/zinc/13/31/38/938133138.db2.gz JNJWMYMXHRJAGI-UHFFFAOYSA-N -1 3 291.297 3.163 20 0 CGADHM Cc1cc(C)cc(CCNC(=O)c2c(C)cccc2[O-])c1 ZINC001544109764 938143351 /nfs/dbraw/zinc/14/33/51/938143351.db2.gz YJOAOFNGJRFQOI-UHFFFAOYSA-N -1 3 283.371 3.290 20 0 CGADHM O=C([N-][C@@H]1C=CCCC1)C(F)(F)c1cc(F)cc(F)c1 ZINC001544108262 938143396 /nfs/dbraw/zinc/14/33/96/938143396.db2.gz KPCFURTXRNXVGM-GFCCVEGCSA-N -1 3 287.256 3.282 20 0 CGADHM COc1cccc([O-])c1C(=O)N[C@H](C)[C@@H](C)c1ccccc1 ZINC001545158168 938148837 /nfs/dbraw/zinc/14/88/37/938148837.db2.gz JKUZZHLKCAHGTH-CHWSQXEVSA-N -1 3 299.370 3.323 20 0 CGADHM O=C([O-])[C@H]1CN(Cc2cc(Cl)ccc2F)C[C@H]1C1CC1 ZINC001549118224 938155552 /nfs/dbraw/zinc/15/55/52/938155552.db2.gz ZTDURPLNHBOZLG-STQMWFEESA-N -1 3 297.757 3.022 20 0 CGADHM O=C(c1ccccc1[O-])N1C[C@H](F)[C@H](Cc2ccccc2)C1 ZINC001551719642 938184732 /nfs/dbraw/zinc/18/47/32/938184732.db2.gz BFYWIGRTHXKLNG-ZBFHGGJFSA-N -1 3 299.345 3.045 20 0 CGADHM O=C(Nc1ncccc1[O-])c1coc2ccc(Cl)cc12 ZINC001556163545 938202126 /nfs/dbraw/zinc/20/21/26/938202126.db2.gz GAWWKUCGDMHKSU-UHFFFAOYSA-N -1 3 288.690 3.439 20 0 CGADHM Cc1cccc([O-])c1C(=O)N[C@H]1C[C@H]1c1cccc(F)c1 ZINC001556470350 938204028 /nfs/dbraw/zinc/20/40/28/938204028.db2.gz CKFHPHVEHXOLCW-KBPBESRZSA-N -1 3 285.318 3.126 20 0 CGADHM CSc1ccc([O-])c(C(=O)N(C)C[Si](C)(C)C)c1 ZINC001557308605 938209208 /nfs/dbraw/zinc/20/92/08/938209208.db2.gz ZAKZRBDAFJDCMM-UHFFFAOYSA-N -1 3 283.469 3.064 20 0 CGADHM CCc1cccc(NC(=O)c2c(C)cccc2[O-])c1O ZINC001558635494 938216802 /nfs/dbraw/zinc/21/68/02/938216802.db2.gz OASJBAJCGPKNRU-UHFFFAOYSA-N -1 3 271.316 3.221 20 0 CGADHM Cc1ccc(C(=O)N[C@H]2CCCc3ccccc3C2)c([O-])c1 ZINC001558647957 938216819 /nfs/dbraw/zinc/21/68/19/938216819.db2.gz BQUKUNWGLWGDMD-INIZCTEOSA-N -1 3 295.382 3.378 20 0 CGADHM O=C([O-])c1cccc(CN[C@@H](c2cccnc2)C2CCC2)c1 ZINC001595244527 949501209 /nfs/dbraw/zinc/50/12/09/949501209.db2.gz UIYOUZVCUHCUSR-QGZVFWFLSA-N -1 3 296.370 3.411 20 0 CGADHM O=C([O-])CC[C@@H]1CCCN(CCc2c(F)cccc2F)C1 ZINC000402043433 951666174 /nfs/dbraw/zinc/66/61/74/951666174.db2.gz ICXDOIHBLQCCMH-LBPRGKRZSA-N -1 3 297.345 3.084 20 0 CGADHM CCc1ccc(CN[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC001593637970 953624030 /nfs/dbraw/zinc/62/40/30/953624030.db2.gz ZITCUGLCDVKGIV-MRXNPFEDSA-N -1 3 287.334 3.304 20 0 CGADHM C[C@H](c1ccc(F)c(F)c1)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC000086782746 957987662 /nfs/dbraw/zinc/98/76/62/957987662.db2.gz BWHHYKWWXJWNOD-MEBBXXQBSA-N -1 3 283.318 3.213 20 0 CGADHM C[C@@H](NCc1ccccc1CC(=O)[O-])c1ccc(F)cc1 ZINC000167617283 959350806 /nfs/dbraw/zinc/35/08/06/959350806.db2.gz HFZVACQJIFWGGK-GFCCVEGCSA-N -1 3 287.334 3.304 20 0 CGADHM C[C@H](NCc1ccccc1CC(=O)[O-])c1cccc(F)c1 ZINC000167619043 959353055 /nfs/dbraw/zinc/35/30/55/959353055.db2.gz YKIWDRPCFDRCMH-LBPRGKRZSA-N -1 3 287.334 3.304 20 0 CGADHM CN(Cc1ccc(F)cc1)Cc1ccccc1CC(=O)[O-] ZINC000167705969 959354970 /nfs/dbraw/zinc/35/49/70/959354970.db2.gz HEYTXYXZPGEOBA-UHFFFAOYSA-N -1 3 287.334 3.085 20 0 CGADHM CC(C)CC(CC(C)C)NC(=O)c1ccc(O)cc1[O-] ZINC001565638478 960800635 /nfs/dbraw/zinc/80/06/35/960800635.db2.gz ZOOIFXWATCGXHP-UHFFFAOYSA-N -1 3 279.380 3.288 20 0 CGADHM Cc1cc(C(=O)Nc2ccc(Cl)cc2[O-])sc1C=O ZINC001567234334 961145085 /nfs/dbraw/zinc/14/50/85/961145085.db2.gz GRDLMEHYTSVNPZ-UHFFFAOYSA-N -1 3 295.747 3.480 20 0 CGADHM Cc1csc(CCCC(=O)[N-]OC2CCCCC2)n1 ZINC001567889695 961450363 /nfs/dbraw/zinc/45/03/63/961450363.db2.gz KWSAWOBBOYWDBT-UHFFFAOYSA-N -1 3 282.409 3.155 20 0 CGADHM CSc1ccc([O-])c(C(=O)N[C@@H]2C[C@]2(C)C(C)C)c1 ZINC001570158850 961918551 /nfs/dbraw/zinc/91/85/51/961918551.db2.gz LKWQGXMIQIMRQF-UKRRQHHQSA-N -1 3 279.405 3.279 20 0 CGADHM CC(C)c1ccc(C(=O)N[C@H]2CCC[C@@H]3C[C@@H]32)c([O-])c1 ZINC001570223254 961935731 /nfs/dbraw/zinc/93/57/31/961935731.db2.gz ZDBMSBGOVUFIBJ-SNPRPXQTSA-N -1 3 273.376 3.434 20 0 CGADHM CC(C)(C)C[C@@H]1C[C@H]1Nc1cccc(F)c1-c1nnn[n-]1 ZINC001573855212 962281631 /nfs/dbraw/zinc/28/16/31/962281631.db2.gz LVEGUYUUAQPHMO-JOYOIKCWSA-N -1 3 289.358 3.242 20 0 CGADHM CC(C)(C)C[C@@H]1C[C@H]1Nc1cccc(F)c1-c1nn[n-]n1 ZINC001573855212 962281649 /nfs/dbraw/zinc/28/16/49/962281649.db2.gz LVEGUYUUAQPHMO-JOYOIKCWSA-N -1 3 289.358 3.242 20 0 CGADHM CCN(Cc1ccc(C(=O)[O-])[nH]1)Cc1c[nH]c2ccccc12 ZINC001574499825 962311393 /nfs/dbraw/zinc/31/13/93/962311393.db2.gz DETCXDCKZXGZTF-UHFFFAOYSA-N -1 3 297.358 3.216 20 0 CGADHM CSc1cc(C)ccc1CNCc1c[nH]c(C(=O)[O-])c1 ZINC001574652250 962314305 /nfs/dbraw/zinc/31/43/05/962314305.db2.gz NUAMRKFHZXUWSK-UHFFFAOYSA-N -1 3 290.388 3.033 20 0 CGADHM C[C@H]1CCC[C@@H](COc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001576150550 962443099 /nfs/dbraw/zinc/44/30/99/962443099.db2.gz BKQDXNVXPATFHT-NWDGAFQWSA-N -1 3 272.352 3.072 20 0 CGADHM Cc1ccc(Cl)cc1NC(=O)c1ccc(N)cc1[O-] ZINC001579703332 962653017 /nfs/dbraw/zinc/65/30/17/962653017.db2.gz JTSRKPWIZGNLIY-UHFFFAOYSA-N -1 3 276.723 3.189 20 0 CGADHM Fc1cccc(NCCCC2CCCC2)c1-c1nnn[n-]1 ZINC001581854942 962755091 /nfs/dbraw/zinc/75/50/91/962755091.db2.gz FDZYNHBYVQGIMC-UHFFFAOYSA-N -1 3 289.358 3.388 20 0 CGADHM Fc1cccc(NCCCC2CCCC2)c1-c1nn[n-]n1 ZINC001581854942 962755115 /nfs/dbraw/zinc/75/51/15/962755115.db2.gz FDZYNHBYVQGIMC-UHFFFAOYSA-N -1 3 289.358 3.388 20 0 CGADHM Cc1ccc2oc(C(=O)[N-]c3c(F)ccnc3F)cc2n1 ZINC001584046014 962887323 /nfs/dbraw/zinc/88/73/23/962887323.db2.gz APDZHSZSYXWRSG-UHFFFAOYSA-N -1 3 289.241 3.062 20 0 CGADHM CCc1ncoc1C(=O)[N-]c1ccc(F)cc1SC ZINC001584638473 962945568 /nfs/dbraw/zinc/94/55/68/962945568.db2.gz ZZXOBBJXJOBVEG-UHFFFAOYSA-N -1 3 280.324 3.350 20 0 CGADHM O=C(Nc1ccc2occc2c1)c1cc(F)cc2n[n-]nc21 ZINC001587385539 963189534 /nfs/dbraw/zinc/18/95/34/963189534.db2.gz WRMLXZXBIAUPKN-UHFFFAOYSA-N -1 3 296.261 3.096 20 0 CGADHM C(=Cc1ccncc1-c1nnn[n-]1)c1ccc2occc2c1 ZINC001588381393 963273088 /nfs/dbraw/zinc/27/30/88/963273088.db2.gz AILVXUJGSBRESI-IWQZZHSRSA-N -1 3 289.298 3.178 20 0 CGADHM C(=Cc1ccncc1-c1nn[n-]n1)c1ccc2occc2c1 ZINC001588381393 963273096 /nfs/dbraw/zinc/27/30/96/963273096.db2.gz AILVXUJGSBRESI-IWQZZHSRSA-N -1 3 289.298 3.178 20 0 CGADHM C[C@H](N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21)c1ccncc1 ZINC001589124409 963341194 /nfs/dbraw/zinc/34/11/94/963341194.db2.gz XEMGOWXAQVPGPH-XZJROXQQSA-N -1 3 282.343 3.045 20 0 CGADHM CC(C)(C)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC001589130844 963346199 /nfs/dbraw/zinc/34/61/99/963346199.db2.gz NUVNCVXMUYZEDL-UHFFFAOYSA-N -1 3 262.382 3.146 20 0 CGADHM CC(C)(C)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC001589130844 963346212 /nfs/dbraw/zinc/34/62/12/963346212.db2.gz NUVNCVXMUYZEDL-UHFFFAOYSA-N -1 3 262.382 3.146 20 0 CGADHM O=C([O-])CN[C@H](c1c(Cl)cccc1Cl)C1CC1 ZINC001606269283 973643414 /nfs/dbraw/zinc/64/34/14/973643414.db2.gz SQMXUGHWPAKVQB-LBPRGKRZSA-N -1 3 274.147 3.119 20 0 CGADHM CC[C@@H]1CCCC[C@H]1CNCc1ncc(C(=O)[O-])s1 ZINC001595443838 981083687 /nfs/dbraw/zinc/08/36/87/981083687.db2.gz CJDQRYFJNBSBGF-MNOVXSKESA-N -1 3 282.409 3.147 20 0 CGADHM CC[C@H]1COC(C)(C)CN1Cc1ccc(C(=O)[O-])c(C)c1 ZINC001595498715 981261664 /nfs/dbraw/zinc/26/16/64/981261664.db2.gz YQJYZIGEOMWHSE-AWEZNQCLSA-N -1 3 291.391 3.083 20 0 CGADHM CC1CN(Cc2ccc(-c3ccc(C(=O)[O-])cc3)o2)C1 ZINC001594538209 986165571 /nfs/dbraw/zinc/16/55/71/986165571.db2.gz YSEPKMIMUWLIRS-UHFFFAOYSA-N -1 3 271.316 3.097 20 0 CGADHM Cc1c(C(=O)[O-])cc(CN2CCC[C@H]2c2ccccc2)n1C ZINC001599984844 986216130 /nfs/dbraw/zinc/21/61/30/986216130.db2.gz FKJMEDJZTRVXEM-KRWDZBQOSA-N -1 3 298.386 3.369 20 0 CGADHM CCOc1ccc(Cl)cc1CN1CC[C@H](C(=O)[O-])[C@@H]1C ZINC001597106306 986747279 /nfs/dbraw/zinc/74/72/79/986747279.db2.gz NNMTYIOVBAUXQG-GWCFXTLKSA-N -1 3 297.782 3.034 20 0 CGADHM CC(C)(/C=C/Cl)NCc1cc(C(=O)[O-])c2n1CCCC2 ZINC001590615291 990289195 /nfs/dbraw/zinc/28/91/95/990289195.db2.gz QPCMDHQRLNIKNP-VOTSOKGWSA-N -1 3 296.798 3.143 20 0 CGADHM CC(C)(/C=C/Cl)NCc1ccsc1C(=O)[O-] ZINC001590615523 990290875 /nfs/dbraw/zinc/29/08/75/990290875.db2.gz WIHYIJUIQCQRFY-SNAWJCMRSA-N -1 3 259.758 3.067 20 0 CGADHM CN(Cc1cncc(C(=O)[O-])c1)C(C)(C)c1ccccc1 ZINC001598533229 992813107 /nfs/dbraw/zinc/81/31/07/992813107.db2.gz OXPRKIONDZZKJO-UHFFFAOYSA-N -1 3 284.359 3.147 20 0 CGADHM CN(Cc1nc(C(=O)[O-])cs1)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC001598537438 992857351 /nfs/dbraw/zinc/85/73/51/992857351.db2.gz ZISHLWXCNXMWCL-CMPLNLGQSA-N -1 3 296.436 3.488 20 0 CGADHM C[C@@H](N[C@H](C)c1cccnc1)c1cc(C(=O)[O-])cs1 ZINC001593199718 994179783 /nfs/dbraw/zinc/17/97/83/994179783.db2.gz ZDFRNQDIAKLZRW-NXEZZACHSA-N -1 3 276.361 3.253 20 0 CGADHM C[C@@H](NCc1c[nH]c(C(=O)[O-])c1)c1ccc(Cl)c(F)c1 ZINC001593286132 994641542 /nfs/dbraw/zinc/64/15/42/994641542.db2.gz ODWJUNLSCZNPAG-MRVPVSSYSA-N -1 3 296.729 3.356 20 0 CGADHM C[C@H](c1nc2cc(Cl)ccc2[nH]1)N(C)CCCC(=O)[O-] ZINC001593733864 996321053 /nfs/dbraw/zinc/32/10/53/996321053.db2.gz NBFYRWKHYIXVFW-SECBINFHSA-N -1 3 295.770 3.074 20 0 CGADHM COc1cc(C)cc(CNCc2ccsc2C(=O)[O-])c1 ZINC001599391914 997053623 /nfs/dbraw/zinc/05/36/23/997053623.db2.gz GIYXTZJSSKNLAC-UHFFFAOYSA-N -1 3 291.372 3.053 20 0 CGADHM CC(C)[C@@H]1CCCC[C@@H]1NC(=O)c1cccc([O-])c1 ZINC000215137863 260110943 /nfs/dbraw/zinc/11/09/43/260110943.db2.gz FUXVCAWROLNPQV-GJZGRUSLSA-N -1 3 261.365 3.337 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)COc2ccsc2)c1[O-] ZINC000337476008 214106535 /nfs/dbraw/zinc/10/65/35/214106535.db2.gz UEBFRAKIRHRFLN-UHFFFAOYSA-N -1 3 297.763 3.433 20 0 CGADHM O=C(COCc1ccccc1)Nc1cc(Cl)ccc1[O-] ZINC000337507181 214127605 /nfs/dbraw/zinc/12/76/05/214127605.db2.gz GCUHFFSXTLMFMH-UHFFFAOYSA-N -1 3 291.734 3.201 20 0 CGADHM CCSc1ccc(CC(=O)Nc2ncccc2[O-])cc1 ZINC000337534623 214144649 /nfs/dbraw/zinc/14/46/49/214144649.db2.gz GZFLZGFCXLUDTQ-UHFFFAOYSA-N -1 3 288.372 3.080 20 0 CGADHM CC1=CC[C@](C)(C(=O)Nc2nnc(-c3ccco3)[n-]2)CC1 ZINC000621443654 349527370 /nfs/dbraw/zinc/52/73/70/349527370.db2.gz PDPXYRXYBFWJMS-HNNXBMFYSA-N -1 3 286.335 3.140 20 0 CGADHM CC1=CC[C@](C)(C(=O)Nc2nc(-c3ccco3)n[n-]2)CC1 ZINC000621443654 349527374 /nfs/dbraw/zinc/52/73/74/349527374.db2.gz PDPXYRXYBFWJMS-HNNXBMFYSA-N -1 3 286.335 3.140 20 0 CGADHM CC1=CC[C@](C)(C(=O)Nc2n[n-]c(-c3ccco3)n2)CC1 ZINC000621443654 349527377 /nfs/dbraw/zinc/52/73/77/349527377.db2.gz PDPXYRXYBFWJMS-HNNXBMFYSA-N -1 3 286.335 3.140 20 0 CGADHM CCCC[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cccs1 ZINC000590072181 346825423 /nfs/dbraw/zinc/82/54/23/346825423.db2.gz LQXCGZBGHYPWAP-RYUDHWBXSA-N -1 3 287.450 3.385 20 0 CGADHM CCCC[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccccc1F ZINC000590072628 346825518 /nfs/dbraw/zinc/82/55/18/346825518.db2.gz VOOSSUIDKDTWGW-OCCSQVGLSA-N -1 3 299.411 3.463 20 0 CGADHM C[C@@H]1CCC[C@@H]1NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621857157 349597437 /nfs/dbraw/zinc/59/74/37/349597437.db2.gz RSLYXJPVJGUQFL-PELKAZGASA-N -1 3 287.281 3.329 20 0 CGADHM CCC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cccs1 ZINC000590610316 346855107 /nfs/dbraw/zinc/85/51/07/346855107.db2.gz IDXSNAFKKOLJJG-RYUDHWBXSA-N -1 3 287.450 3.385 20 0 CGADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1CC[C@H](C2CC2)C1 ZINC000621937706 349610108 /nfs/dbraw/zinc/61/01/08/349610108.db2.gz KFVQIKFLNNNGML-JTQLQIEISA-N -1 3 299.292 3.283 20 0 CGADHM CCCC[C@H](C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1)C(C)C ZINC000621985997 349617948 /nfs/dbraw/zinc/61/79/48/349617948.db2.gz VHSVQXUYNLGCLT-GXTWGEPZSA-N -1 3 293.411 3.084 20 0 CGADHM CCc1ccc(C)nc1NC(=O)c1cccc(C)c1[O-] ZINC000622139157 349635174 /nfs/dbraw/zinc/63/51/74/349635174.db2.gz VYKXXANVABUUDI-UHFFFAOYSA-N -1 3 270.332 3.219 20 0 CGADHM C[C@H]1CCC[C@H](CC(=O)N=c2cc(-c3ccncc3)[n-][nH]2)C1 ZINC000338099455 214398455 /nfs/dbraw/zinc/39/84/55/214398455.db2.gz PERKZIZSWNAJFS-STQMWFEESA-N -1 3 298.390 3.049 20 0 CGADHM CC[C@@H](CC(F)(F)F)NC(=O)c1cc(C)ccc1[O-] ZINC000436980166 529458407 /nfs/dbraw/zinc/45/84/07/529458407.db2.gz MQDMZOAUMKJNKS-VIFPVBQESA-N -1 3 275.270 3.161 20 0 CGADHM CCc1cccc(C(=O)NCCOc2ccccc2C)c1[O-] ZINC000622321898 349671100 /nfs/dbraw/zinc/67/11/00/349671100.db2.gz TVLABXLSMVDMFH-UHFFFAOYSA-N -1 3 299.370 3.072 20 0 CGADHM Cc1ccc(C(=O)NC2CCC3(CC3)CC2)c([O-])c1C ZINC000622557348 349686014 /nfs/dbraw/zinc/68/60/14/349686014.db2.gz DGRGYRHBOFCTJV-UHFFFAOYSA-N -1 3 273.376 3.462 20 0 CGADHM Cc1ncc(NC(=O)c2cc3c(cc2[O-])CCCC3)s1 ZINC000622458915 349681116 /nfs/dbraw/zinc/68/11/16/349681116.db2.gz BHVVXRNUNRLOQP-UHFFFAOYSA-N -1 3 288.372 3.288 20 0 CGADHM CC[C@@H](O)CNC(=O)c1cc(C(C)C)cc(C(C)C)c1[O-] ZINC000622698141 349694772 /nfs/dbraw/zinc/69/47/72/349694772.db2.gz ZDSFPIFHGBZCSL-CYBMUJFWSA-N -1 3 293.407 3.140 20 0 CGADHM CCc1cc(C(=O)N[C@@H]2CCC[C@H]2CC)ccc1[O-] ZINC000436704386 529518840 /nfs/dbraw/zinc/51/88/40/529518840.db2.gz OTLLSNXFPNAQDF-BXUZGUMPSA-N -1 3 261.365 3.263 20 0 CGADHM C[C@H]1CCc2onc(C(=O)[N-]c3c(F)cccc3F)c2C1 ZINC000336129307 290658916 /nfs/dbraw/zinc/65/89/16/290658916.db2.gz SUCWBBAZRURRDZ-QMMMGPOBSA-N -1 3 292.285 3.330 20 0 CGADHM O=C(Nc1cc(Br)ccc1[O-])C1[C@@H]2CCC[C@H]12 ZINC000126498284 187243641 /nfs/dbraw/zinc/24/36/41/187243641.db2.gz HAKMKXXTIWMCOT-USUYBEQLSA-N -1 3 296.164 3.139 20 0 CGADHM O=c1cc(CSCC2=CCCC2)nc(C2CC2)[n-]1 ZINC000592455289 346989075 /nfs/dbraw/zinc/98/90/75/346989075.db2.gz PDYCWTDVSSSDFY-UHFFFAOYSA-N -1 3 262.378 3.403 20 0 CGADHM O=c1ccn(-c2ccc(NC[C@H]3CC=CCC3)cc2)[n-]1 ZINC000623777186 349881976 /nfs/dbraw/zinc/88/19/76/349881976.db2.gz SYQPTLNTISPDFJ-ZDUSSCGKSA-N -1 3 269.348 3.346 20 0 CGADHM Cc1cnn(-c2ccc(C(=O)Nc3ccccc3[O-])cc2)c1 ZINC000045012423 345018739 /nfs/dbraw/zinc/01/87/39/345018739.db2.gz SOPQCPQNQKVDJI-UHFFFAOYSA-N -1 3 293.326 3.139 20 0 CGADHM Cc1c2cccc(F)c2oc1C(=O)[N-]c1cnoc1 ZINC000623941957 349922354 /nfs/dbraw/zinc/92/23/54/349922354.db2.gz NPNQWUWOXBXFDC-UHFFFAOYSA-N -1 3 260.224 3.121 20 0 CGADHM O=C([O-])CCC1CCN(Cc2cccc(Cl)c2)CC1 ZINC000050926220 345085575 /nfs/dbraw/zinc/08/55/75/345085575.db2.gz MBJHFQYLOXMBKP-UHFFFAOYSA-N -1 3 281.783 3.417 20 0 CGADHM Cc1cccc(Cc2nc(-c3ccc([O-])cc3)no2)c1 ZINC000052136466 345099264 /nfs/dbraw/zinc/09/92/64/345099264.db2.gz SDALRULZGFPSRB-UHFFFAOYSA-N -1 3 266.300 3.341 20 0 CGADHM CCCC1CCC(NC(=O)c2ccc3n[n-]nc3c2)CC1 ZINC000055431599 345148416 /nfs/dbraw/zinc/14/84/16/345148416.db2.gz YFSIFIBDOXOADI-UHFFFAOYSA-N -1 3 286.379 3.047 20 0 CGADHM CC[C@@H]1CCCCN1Cc1ccc(C(=O)[O-])cc1F ZINC000062751367 345239891 /nfs/dbraw/zinc/23/98/91/345239891.db2.gz HTYVVSTUXAPYKE-CYBMUJFWSA-N -1 3 265.328 3.288 20 0 CGADHM CCCN(Cc1ccc(C(=O)[O-])cc1F)CC1CC1 ZINC000062754121 345240150 /nfs/dbraw/zinc/24/01/50/345240150.db2.gz RQYISIJAZNLTCT-UHFFFAOYSA-N -1 3 265.328 3.146 20 0 CGADHM CCc1ccc([C@@H](C)C(=O)Nc2ncccc2[O-])cc1 ZINC000069369018 345379594 /nfs/dbraw/zinc/37/95/94/345379594.db2.gz GPEHPTARYIRKBC-LLVKDONJSA-N -1 3 270.332 3.092 20 0 CGADHM CCc1ccc([C@H](C)C(=O)Nc2ncccc2[O-])cc1 ZINC000069369022 345379609 /nfs/dbraw/zinc/37/96/09/345379609.db2.gz GPEHPTARYIRKBC-NSHDSACASA-N -1 3 270.332 3.092 20 0 CGADHM C[C@H](c1ccc(F)cc1)N1CCC(CCC(=O)[O-])CC1 ZINC000086756141 345750528 /nfs/dbraw/zinc/75/05/28/345750528.db2.gz PWEWCEYYPGJTPH-GFCCVEGCSA-N -1 3 279.355 3.464 20 0 CGADHM C[C@@H]1[C@@H](C(=O)[O-])CCN1Cc1ccccc1C(F)(F)F ZINC000092940424 345863173 /nfs/dbraw/zinc/86/31/73/345863173.db2.gz SOKIOEOJZHGIRQ-KOLCDFICSA-N -1 3 287.281 3.000 20 0 CGADHM Cc1ccc([O-])c(CN2CCc3ccccc3[C@H]2C)n1 ZINC000093149330 345870677 /nfs/dbraw/zinc/87/06/77/345870677.db2.gz SMIJSERQJBYKPX-CYBMUJFWSA-N -1 3 268.360 3.215 20 0 CGADHM Cc1ccc(F)c([N-]S(=O)(=O)c2ccc(F)c(C)c2)c1 ZINC000105589615 345928858 /nfs/dbraw/zinc/92/88/58/345928858.db2.gz GEHKSHKDVIZJBC-UHFFFAOYSA-N -1 3 297.326 3.382 20 0 CGADHM Cc1ccc([O-])c(C(=O)NCCc2ccc(F)cc2C)c1 ZINC000094961999 345899344 /nfs/dbraw/zinc/89/93/44/345899344.db2.gz LIWQJZCDBMWAFK-UHFFFAOYSA-N -1 3 287.334 3.121 20 0 CGADHM CCc1cc(C(=O)[N-]c2nnc(C3CC3)s2)oc1CC ZINC000134728343 346084099 /nfs/dbraw/zinc/08/40/99/346084099.db2.gz PNLGPECOBRECAE-UHFFFAOYSA-N -1 3 291.376 3.386 20 0 CGADHM Cc1nnc([N-]C(=O)c2sc(C(C)(C)C)nc2C)s1 ZINC000148291904 346128245 /nfs/dbraw/zinc/12/82/45/346128245.db2.gz NRRKYKJJJXATGZ-UHFFFAOYSA-N -1 3 296.421 3.161 20 0 CGADHM CSCCCC(=O)Nc1ccc(Cl)cc1[O-] ZINC000153441681 346145417 /nfs/dbraw/zinc/14/54/17/346145417.db2.gz CWCNLOIISZNUSZ-UHFFFAOYSA-N -1 3 259.758 3.127 20 0 CGADHM C[C@@H]1CCC[C@@H](NC(=O)NCc2ccc([O-])c(F)c2)[C@@H]1C ZINC000155085256 346152046 /nfs/dbraw/zinc/15/20/46/346152046.db2.gz YXAXSJSAGIUOAN-JTNHKYCSSA-N -1 3 294.370 3.155 20 0 CGADHM C[C@H](CC(=O)Nc1ncccc1[O-])c1ccccc1F ZINC000171265175 346204949 /nfs/dbraw/zinc/20/49/49/346204949.db2.gz SYCYNUJCYMXHGU-SNVBAGLBSA-N -1 3 274.295 3.059 20 0 CGADHM CC[C@@H](CSC)N(C)Cc1ccsc1C(=O)[O-] ZINC000167728372 346189197 /nfs/dbraw/zinc/18/91/97/346189197.db2.gz QULFFJRSDWYMSN-JTQLQIEISA-N -1 3 273.423 3.020 20 0 CGADHM Cc1ccc([C@@H](C)N(C)C(=O)c2cccc3[n-]nnc32)cc1 ZINC000189790971 346263658 /nfs/dbraw/zinc/26/36/58/346263658.db2.gz XXEHXOADDOKUBZ-GFCCVEGCSA-N -1 3 294.358 3.100 20 0 CGADHM Cc1ccc([C@@H](C)N(C)C(=O)c2cccc3nn[n-]c32)cc1 ZINC000189790971 346263662 /nfs/dbraw/zinc/26/36/62/346263662.db2.gz XXEHXOADDOKUBZ-GFCCVEGCSA-N -1 3 294.358 3.100 20 0 CGADHM Cc1ccc([C@@H](C)N(C)C(=O)c2cccc3n[n-]nc32)cc1 ZINC000189790971 346263664 /nfs/dbraw/zinc/26/36/64/346263664.db2.gz XXEHXOADDOKUBZ-GFCCVEGCSA-N -1 3 294.358 3.100 20 0 CGADHM Cc1oc(CN2CCC[C@@H]3CCC[C@H]32)cc1C(=O)[O-] ZINC000228023424 346312628 /nfs/dbraw/zinc/31/26/28/346312628.db2.gz OGUBCRJQXVQPHZ-SMDDNHRTSA-N -1 3 263.337 3.051 20 0 CGADHM O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1cc(F)ccc1Cl ZINC000229224645 346316465 /nfs/dbraw/zinc/31/64/65/346316465.db2.gz RXHKVXFPHJFEGP-LQJRIPTKSA-N -1 3 297.757 3.164 20 0 CGADHM Cc1cc(Cl)ccc1CN1CCC[C@@H](CC(=O)[O-])C1 ZINC000235786056 346336916 /nfs/dbraw/zinc/33/69/16/346336916.db2.gz GYZJXLAFPJQYEV-LBPRGKRZSA-N -1 3 281.783 3.335 20 0 CGADHM CN(CCC1CCCCC1)Cc1ccoc1C(=O)[O-] ZINC000258815604 346401438 /nfs/dbraw/zinc/40/14/38/346401438.db2.gz VLSINIQLOGYWPR-UHFFFAOYSA-N -1 3 265.353 3.380 20 0 CGADHM CC[C@@H](NCc1cc(Cl)sc1Cl)C(=O)[O-] ZINC000312714591 346477783 /nfs/dbraw/zinc/47/77/83/346477783.db2.gz ZRJWSANAWGQKOE-ZCFIWIBFSA-N -1 3 268.165 3.008 20 0 CGADHM C[C@H](CCC(C)(C)C)[N-]S(=O)(=O)c1ccccc1F ZINC000386277468 346567210 /nfs/dbraw/zinc/56/72/10/346567210.db2.gz QFFSKQUBFWHHMY-LLVKDONJSA-N -1 3 287.400 3.319 20 0 CGADHM CCN(C(=O)c1ccc2c(c1[O-])CCCC2)C(C)C ZINC000273298890 192104249 /nfs/dbraw/zinc/10/42/49/192104249.db2.gz KHOJTBIHJLHNKI-UHFFFAOYSA-N -1 3 261.365 3.142 20 0 CGADHM CCC[C@H](C)C(=O)Nc1cc(Cl)cc(C(=O)OC)c1[O-] ZINC000588096784 346749458 /nfs/dbraw/zinc/74/94/58/346749458.db2.gz OEEZBTQAFFODAI-QMMMGPOBSA-N -1 3 299.754 3.207 20 0 CGADHM CCS[C@H]1CC[C@H](N(C)Cc2cc(C)c(C(=O)[O-])o2)C1 ZINC000593739708 347110458 /nfs/dbraw/zinc/11/04/58/347110458.db2.gz IFORMVCUEREDSR-AAEUAGOBSA-N -1 3 297.420 3.392 20 0 CGADHM CC(C)(C)OC(=O)CCCCC(=O)Nc1ccccc1[O-] ZINC000594243236 347166700 /nfs/dbraw/zinc/16/67/00/347166700.db2.gz LWSYONCYQMOCMM-UHFFFAOYSA-N -1 3 293.363 3.233 20 0 CGADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CCC2(CC2)CC1 ZINC000599114608 347717284 /nfs/dbraw/zinc/71/72/84/347717284.db2.gz WVLBZTZXLMMCKQ-UHFFFAOYSA-N -1 3 285.387 3.287 20 0 CGADHM COc1ccc([O-])c(C(=O)N[C@H]2c3ccccc3C[C@@H]2C)c1 ZINC000599901834 347774457 /nfs/dbraw/zinc/77/44/57/347774457.db2.gz FFJSHHQPWFUNSZ-APPDUMDISA-N -1 3 297.354 3.064 20 0 CGADHM O=C1CCC[C@H]1CCSCc1cc(=O)[n-]c(C2CC2)n1 ZINC000600633977 347820989 /nfs/dbraw/zinc/82/09/89/347820989.db2.gz VOPGGWYWJOCURS-JTQLQIEISA-N -1 3 292.404 3.052 20 0 CGADHM O=C(Nc1ncccc1[O-])c1cc(Cl)c2ccccc2n1 ZINC000339344106 215109108 /nfs/dbraw/zinc/10/91/08/215109108.db2.gz MCSNGJBECZGGME-UHFFFAOYSA-N -1 3 299.717 3.241 20 0 CGADHM CC(=O)CSCc1cc([O-])cc(C(F)(F)F)c1 ZINC000603321740 348071218 /nfs/dbraw/zinc/07/12/18/348071218.db2.gz UCYBEESKVZRUTR-UHFFFAOYSA-N -1 3 264.268 3.233 20 0 CGADHM C[C@@H](SCCc1nnn[n-]1)c1cccc(Cl)c1F ZINC000603340210 348072744 /nfs/dbraw/zinc/07/27/44/348072744.db2.gz VMAABYLEPFFPSY-SSDOTTSWSA-N -1 3 286.763 3.029 20 0 CGADHM C[C@@H](SCCc1nn[n-]n1)c1cccc(Cl)c1F ZINC000603340210 348072746 /nfs/dbraw/zinc/07/27/46/348072746.db2.gz VMAABYLEPFFPSY-SSDOTTSWSA-N -1 3 286.763 3.029 20 0 CGADHM CSC1CCN(Cc2cc([O-])ccc2Cl)CC1 ZINC000602918505 348043262 /nfs/dbraw/zinc/04/32/62/348043262.db2.gz AQTRZURKQHSTGW-UHFFFAOYSA-N -1 3 271.813 3.373 20 0 CGADHM [O-]c1cccnc1CNCc1ccc(C2CCC2)cc1 ZINC000339378588 215133912 /nfs/dbraw/zinc/13/39/12/215133912.db2.gz RIPANKRLBHBJDY-UHFFFAOYSA-N -1 3 268.360 3.345 20 0 CGADHM CCCCCOCC(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000604901611 348138130 /nfs/dbraw/zinc/13/81/30/348138130.db2.gz KXMINXLRAQTKHW-UHFFFAOYSA-N -1 3 285.771 3.499 20 0 CGADHM CCCCn1c(=O)[n-]nc1S[C@@H]1CCC[C@@H](C)C1 ZINC000605076701 348146304 /nfs/dbraw/zinc/14/63/04/348146304.db2.gz VVDCTHMIUQLEHA-GHMZBOCLSA-N -1 3 269.414 3.455 20 0 CGADHM Cc1ccc([O-])c(C(=O)N[C@@H]2CSc3ccccc32)c1 ZINC000605111003 348146955 /nfs/dbraw/zinc/14/69/55/348146955.db2.gz ZLQIQQLQTJZEKN-CYBMUJFWSA-N -1 3 285.368 3.277 20 0 CGADHM C[C@H](Sc1n[n-]c(-c2ccccn2)n1)c1ccncc1 ZINC000605077487 348146999 /nfs/dbraw/zinc/14/69/99/348146999.db2.gz ZTRMIYGXULRWKH-JTQLQIEISA-N -1 3 283.360 3.115 20 0 CGADHM Cc1cc(C(=O)NCc2ccc([O-])c(F)c2)sc1C ZINC000606536661 348189919 /nfs/dbraw/zinc/18/99/19/348189919.db2.gz MCQOFMSKLYJXGS-UHFFFAOYSA-N -1 3 279.336 3.140 20 0 CGADHM O=C(N[C@@H]1CC[C@H]2CCCC[C@H]2C1)c1cccc([O-])c1 ZINC000355398942 295787276 /nfs/dbraw/zinc/78/72/76/295787276.db2.gz KVCVFDFPHKJDKN-VNHYZAJKSA-N -1 3 273.376 3.481 20 0 CGADHM COc1cc(C)cc(-c2nc(C(C)(C)C)no2)c1[O-] ZINC000273369013 192129725 /nfs/dbraw/zinc/12/97/25/192129725.db2.gz CKLLVRPWCMLCNO-UHFFFAOYSA-N -1 3 262.309 3.057 20 0 CGADHM CCN=c1[n-]c(C(=O)N(CC(C)C)C(CC)CC)cs1 ZINC000611932893 348480649 /nfs/dbraw/zinc/48/06/49/348480649.db2.gz AHCVFPQGXVGITG-UHFFFAOYSA-N -1 3 297.468 3.284 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)C2CC3(CC3)C2)c1[O-] ZINC000613035595 348561439 /nfs/dbraw/zinc/56/14/39/348561439.db2.gz OJFONTZUNXGPRQ-UHFFFAOYSA-N -1 3 265.740 3.483 20 0 CGADHM Cc1cccc([O-])c1NC(=O)[C@@H](C)Cc1ccco1 ZINC000613207924 348575006 /nfs/dbraw/zinc/57/50/06/348575006.db2.gz RRHMQTORQJFCBY-NSHDSACASA-N -1 3 259.305 3.111 20 0 CGADHM CC(C)(C)c1ccc(NC(=O)CCCF)c([O-])c1 ZINC000614488834 348680134 /nfs/dbraw/zinc/68/01/34/348680134.db2.gz OQARBXMGZMSIQL-UHFFFAOYSA-N -1 3 253.317 3.378 20 0 CGADHM C[C@@]1(C(=O)NCc2ccc([O-])c3ncccc23)CC=CCC1 ZINC000616020790 348781711 /nfs/dbraw/zinc/78/17/11/348781711.db2.gz QQUXTIVFTIOWOK-GOSISDBHSA-N -1 3 296.370 3.303 20 0 CGADHM Cc1ccccc1CNCc1c(F)ccc([O-])c1F ZINC000351985986 219277450 /nfs/dbraw/zinc/27/74/50/219277450.db2.gz DFHFMRUVPUNCMC-UHFFFAOYSA-N -1 3 263.287 3.269 20 0 CGADHM O=C(CCCC1CC1)NCc1ccc([O-])c2ncccc12 ZINC000616022120 348782501 /nfs/dbraw/zinc/78/25/01/348782501.db2.gz CQYGTSDUSCYWPN-UHFFFAOYSA-N -1 3 284.359 3.137 20 0 CGADHM CC(=O)c1ccc(C(=O)N[C@]2(C)CCCC[C@H]2C)cc1[O-] ZINC000616189625 348796330 /nfs/dbraw/zinc/79/63/30/348796330.db2.gz RDCHTBWOEITZBT-PIGZYNQJSA-N -1 3 289.375 3.293 20 0 CGADHM CSc1ccc([O-])c(C(=O)N[C@@H]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000616503018 348827862 /nfs/dbraw/zinc/82/78/62/348827862.db2.gz KARUZNWWZRXYSY-GMTAPVOTSA-N -1 3 277.389 3.033 20 0 CGADHM CO[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc([O-])cc1Cl ZINC000616940265 348885145 /nfs/dbraw/zinc/88/51/45/348885145.db2.gz VSJKDOVPFPWRKL-GXFFZTMASA-N -1 3 283.755 3.189 20 0 CGADHM Cc1nscc1C(=O)[N-]c1nnc(CCC(C)C)s1 ZINC000617095457 348916614 /nfs/dbraw/zinc/91/66/14/348916614.db2.gz POONNHBRABMBQF-UHFFFAOYSA-N -1 3 296.421 3.144 20 0 CGADHM C[C@H]1C[C@H](CNC(=O)Cc2ccc([O-])c(F)c2)C[C@@H](C)C1 ZINC000617669599 349001070 /nfs/dbraw/zinc/00/10/70/349001070.db2.gz NHEIMMQQSWQHRM-IMRBUKKESA-N -1 3 293.382 3.262 20 0 CGADHM O=C(c1ccc2n[n-]nc2c1)N1CC[C@@H](C2CCCCC2)C1 ZINC000618182330 349057792 /nfs/dbraw/zinc/05/77/92/349057792.db2.gz FHOVLMSKQHFGIN-CQSZACIVSA-N -1 3 298.390 3.000 20 0 CGADHM C[C@@]1(CCNC(=O)c2cc([O-])ccc2Cl)CC1(F)F ZINC000618635131 349132250 /nfs/dbraw/zinc/13/22/50/349132250.db2.gz ITOCGEFRDDJVEX-GFCCVEGCSA-N -1 3 289.709 3.211 20 0 CGADHM [O-]c1ccc(Br)c(CN[C@H]2CCC[C@@H]2F)c1 ZINC000339586862 215260781 /nfs/dbraw/zinc/26/07/81/215260781.db2.gz MOAVMOPQEPAFOQ-RYUDHWBXSA-N -1 3 288.160 3.135 20 0 CGADHM Cc1noc(C)c1[C@H](C)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000624242862 350010202 /nfs/dbraw/zinc/01/02/02/350010202.db2.gz PECWCLJDUXFZSS-ZETCQYMHSA-N -1 3 294.738 3.393 20 0 CGADHM Cc1ccc(C(=O)N(C)C2CCCCC2)c([O-])c1C ZINC000271229741 191015940 /nfs/dbraw/zinc/01/59/40/191015940.db2.gz TXWHTCLBDVKNMM-UHFFFAOYSA-N -1 3 261.365 3.414 20 0 CGADHM [O-]c1ccc(Cl)c(CN2CCC([C@H]3CCOC3)CC2)c1 ZINC000625318363 350158048 /nfs/dbraw/zinc/15/80/48/350158048.db2.gz OORNFUYUDOGLIR-ZDUSSCGKSA-N -1 3 295.810 3.294 20 0 CGADHM Cc1cccc([O-])c1C(=O)N[C@@H]1CCCC(F)(F)C1 ZINC000626187789 350280087 /nfs/dbraw/zinc/28/00/87/350280087.db2.gz VRMOKXDDLADUSA-SNVBAGLBSA-N -1 3 269.291 3.008 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CC[C@@H](C)C2(CCC2)C1 ZINC000626345508 350296649 /nfs/dbraw/zinc/29/66/49/350296649.db2.gz MFVPVORNFBYSFT-CYBMUJFWSA-N -1 3 273.376 3.353 20 0 CGADHM CC1(CCNC(=O)CCCc2ccc([O-])c(F)c2)CC1 ZINC000352126007 219329831 /nfs/dbraw/zinc/32/98/31/219329831.db2.gz PEUNKMFXWKCRBP-UHFFFAOYSA-N -1 3 279.355 3.160 20 0 CGADHM Cc1ccc(C(C)(C)CNC(=O)c2c(C)cccc2[O-])nc1 ZINC000628716678 350597325 /nfs/dbraw/zinc/59/73/25/350597325.db2.gz JQVSWCTWSJGKEB-UHFFFAOYSA-N -1 3 298.386 3.112 20 0 CGADHM CCC(=O)c1ccc(NCc2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC000629210923 350669622 /nfs/dbraw/zinc/66/96/22/350669622.db2.gz NTSRCQRNNLSKIR-UHFFFAOYSA-N -1 3 297.358 3.264 20 0 CGADHM [O-]c1coc2cc(OCc3ccccc3OC3CC3)ccc12 ZINC000629375635 350683356 /nfs/dbraw/zinc/68/33/56/350683356.db2.gz KTGLJIARAQLBHU-UHFFFAOYSA-N -1 3 296.322 3.382 20 0 CGADHM C[C@@H]1CN(CCc2c(F)cccc2Cl)CC[C@@H]1C(=O)[O-] ZINC000629495039 350697092 /nfs/dbraw/zinc/69/70/92/350697092.db2.gz GVBKSSRVARHUKA-MNOVXSKESA-N -1 3 299.773 3.064 20 0 CGADHM C/C=C\C[C@@H]1CCCN(C(=O)c2ccc(OC)cc2[O-])C1 ZINC000629878465 350783655 /nfs/dbraw/zinc/78/36/55/350783655.db2.gz NOQSOPOVTUPJOU-DHCBQETCSA-N -1 3 289.375 3.219 20 0 CGADHM Cc1cccc2c(=O)c(C(=O)N(CC3CC3)C(C)C)c[n-]c12 ZINC000630027692 350798633 /nfs/dbraw/zinc/79/86/33/350798633.db2.gz VBLDMXSRMUMLPT-UHFFFAOYSA-N -1 3 298.386 3.097 20 0 CGADHM CCn1cc(C(=O)Nc2ccc(C)cc2[O-])c(C2CC2)n1 ZINC000630439041 350840893 /nfs/dbraw/zinc/84/08/93/350840893.db2.gz LCSMYIFHIRUHAT-UHFFFAOYSA-N -1 3 285.347 3.047 20 0 CGADHM CCc1cc(C(=O)N[C@@H]2CCCC23CC3)ccc1[O-] ZINC000633779383 351368793 /nfs/dbraw/zinc/36/87/93/351368793.db2.gz PNQGLYYIGGKAED-CQSZACIVSA-N -1 3 259.349 3.017 20 0 CGADHM CCc1cc(C(=O)N[C@]23C[C@H]2CCCC3)ccc1[O-] ZINC000634090899 351438302 /nfs/dbraw/zinc/43/83/02/351438302.db2.gz RAEWXRKFOAEVNT-CZUORRHYSA-N -1 3 259.349 3.017 20 0 CGADHM CCc1nc(COc2ccc3c([O-])coc3c2C)cs1 ZINC000634560499 351514144 /nfs/dbraw/zinc/51/41/44/351514144.db2.gz LLPSDRNGWCYEEB-UHFFFAOYSA-N -1 3 289.356 3.168 20 0 CGADHM CCc1[n-]n(Cc2cccc(F)c2)c(=O)c1C(C)C ZINC000634589932 351527805 /nfs/dbraw/zinc/52/78/05/351527805.db2.gz MFDFQPQFQYSISA-AWEZNQCLSA-N -1 3 262.328 3.206 20 0 CGADHM Cc1[n-]n(Cc2ccc(C(F)(F)F)cc2)c(=O)c1C1CC1 ZINC000634590468 351527913 /nfs/dbraw/zinc/52/79/13/351527913.db2.gz AQRPMPZGMWCINL-CYBMUJFWSA-N -1 3 296.292 3.450 20 0 CGADHM COC1(CS(=O)(=O)[N-]c2ccccc2C(C)C)CCC1 ZINC000634784743 351586500 /nfs/dbraw/zinc/58/65/00/351586500.db2.gz CHUMVPHTLHSKFC-UHFFFAOYSA-N -1 3 297.420 3.121 20 0 CGADHM CC(C)N(CC(=O)[O-])Cc1cc(Cl)cc(Cl)c1F ZINC000635016750 351632004 /nfs/dbraw/zinc/63/20/04/351632004.db2.gz OIONCORQRVGRJN-UHFFFAOYSA-N -1 3 294.153 3.428 20 0 CGADHM CCCN(CC(=O)[O-])Cc1cc(Cl)cc(Cl)c1F ZINC000635015556 351632038 /nfs/dbraw/zinc/63/20/38/351632038.db2.gz FGTVWBLCRJCOTH-UHFFFAOYSA-N -1 3 294.153 3.429 20 0 CGADHM CC(C)CN(CC(C)(C)C)C(=O)c1cc(F)c[n-]c1=O ZINC000635688448 351683533 /nfs/dbraw/zinc/68/35/33/351683533.db2.gz CAZHECNDVHSLEU-UHFFFAOYSA-N -1 3 282.359 3.071 20 0 CGADHM CC(C)c1nccn1CC(=O)Nc1cc(Cl)ccc1[O-] ZINC000635722158 351685360 /nfs/dbraw/zinc/68/53/60/351685360.db2.gz TZAWKCCRKBCESX-UHFFFAOYSA-N -1 3 293.754 3.004 20 0 CGADHM CCc1cc(C(=O)NCCC[C@H]2CCCCO2)ccc1[O-] ZINC000291675205 198059003 /nfs/dbraw/zinc/05/90/03/198059003.db2.gz MEVIGKLRWMUHKX-OAHLLOKOSA-N -1 3 291.391 3.034 20 0 CGADHM O=C(Cc1ccc(C(F)(F)F)cc1)[N-]OC/C=C/Cl ZINC000291730423 198072711 /nfs/dbraw/zinc/07/27/11/198072711.db2.gz FMPRUFDCKAFZKX-LZCJLJQNSA-N -1 3 293.672 3.048 20 0 CGADHM Cc1cccc(C(=O)N(C)c2ccc(F)cc2)c1[O-] ZINC000048442406 137901464 /nfs/dbraw/zinc/90/14/64/137901464.db2.gz ZVIXEGYPJXQXOV-UHFFFAOYSA-N -1 3 259.280 3.116 20 0 CGADHM CC(C)c1noc([N-][C@H](C)[C@H]2OCCc3sccc32)n1 ZINC000292166541 198189172 /nfs/dbraw/zinc/18/91/72/198189172.db2.gz DJMHXHMFYDGKIS-BXKDBHETSA-N -1 3 293.392 3.369 20 0 CGADHM COC(C)(C)c1noc(-c2ccc3c(c2[O-])CCCC3)n1 ZINC000273499110 192177394 /nfs/dbraw/zinc/17/73/94/192177394.db2.gz YAYXCFYEZXWECA-UHFFFAOYSA-N -1 3 288.347 3.203 20 0 CGADHM COc1ccc(Cl)cc1NC([O-])=NOC1CCCC1 ZINC000271643130 191255451 /nfs/dbraw/zinc/25/54/51/191255451.db2.gz BLQQIRKEUYLLAG-UHFFFAOYSA-N -1 3 284.743 3.344 20 0 CGADHM COc1ccc(Cl)cc1NC(=O)[N-]OC1CCCC1 ZINC000271643130 191255455 /nfs/dbraw/zinc/25/54/55/191255455.db2.gz BLQQIRKEUYLLAG-UHFFFAOYSA-N -1 3 284.743 3.344 20 0 CGADHM CC(C)CO[N-]C(=O)C[C@H](C)c1ccc(F)cc1F ZINC000153499170 188086527 /nfs/dbraw/zinc/08/65/27/188086527.db2.gz WLQGINQNFXXYRI-JTQLQIEISA-N -1 3 271.307 3.162 20 0 CGADHM CCCc1nccn1Cc1cc(=O)oc2c(C)c([O-])ccc12 ZINC000153533953 188086919 /nfs/dbraw/zinc/08/69/19/188086919.db2.gz OHYQQGMTXZVWKF-UHFFFAOYSA-N -1 3 298.342 3.004 20 0 CGADHM CC[C@H](C)Oc1cccc(NC(=O)[N-]OCC2CC2)c1 ZINC000292556587 198331875 /nfs/dbraw/zinc/33/18/75/198331875.db2.gz HTGYHULTJUFLMZ-NSHDSACASA-N -1 3 278.352 3.327 20 0 CGADHM CC(C)c1ccccc1NC([O-])=NOCc1cccnc1 ZINC000158102086 188357380 /nfs/dbraw/zinc/35/73/80/188357380.db2.gz HXRKWCMGCDGPCN-UHFFFAOYSA-N -1 3 285.347 3.458 20 0 CGADHM CC(C)c1ccccc1NC(=O)[N-]OCc1cccnc1 ZINC000158102086 188357381 /nfs/dbraw/zinc/35/73/81/188357381.db2.gz HXRKWCMGCDGPCN-UHFFFAOYSA-N -1 3 285.347 3.458 20 0 CGADHM O=C(N[C@@H]1CCO[C@H](c2ccccc2)C1)c1cccc([O-])c1 ZINC000158636581 188386443 /nfs/dbraw/zinc/38/64/43/188386443.db2.gz PTAFVYNFGMEUKR-WBVHZDCISA-N -1 3 297.354 3.042 20 0 CGADHM Cn1cc(CCC(=O)[N-]OC2CCCC2)c2ccccc21 ZINC000271740260 191299342 /nfs/dbraw/zinc/29/93/42/191299342.db2.gz ILVAEVLVTVQYSB-UHFFFAOYSA-N -1 3 286.375 3.101 20 0 CGADHM Cc1ccccc1-c1cc(=NC(=O)[C@@H](C)CC(F)F)[nH][n-]1 ZINC000411761335 235077902 /nfs/dbraw/zinc/07/79/02/235077902.db2.gz URXSAJBEFWLREZ-JTQLQIEISA-N -1 3 293.317 3.037 20 0 CGADHM Cc1cccc(OCc2cc(=O)[n-]c(C3CC3)n2)c1F ZINC000413001883 235239910 /nfs/dbraw/zinc/23/99/10/235239910.db2.gz QLRPJYMRXHBDPJ-UHFFFAOYSA-N -1 3 274.295 3.086 20 0 CGADHM O=c1cc(COc2cccc(Cl)c2F)nc(C2CC2)[n-]1 ZINC000413006030 235241793 /nfs/dbraw/zinc/24/17/93/235241793.db2.gz NYQUCACSXXXSTC-UHFFFAOYSA-N -1 3 294.713 3.431 20 0 CGADHM O=C(Nc1ccncc1[O-])[C@H]1C[C@H]1c1cccc(Cl)c1 ZINC000109888927 138362163 /nfs/dbraw/zinc/36/21/63/138362163.db2.gz DIQSKCIDAKUZGI-RYUDHWBXSA-N -1 3 288.734 3.183 20 0 CGADHM Cc1cccc([O-])c1NC(=O)c1ccc2[nH]ccc2c1 ZINC000183022550 138432771 /nfs/dbraw/zinc/43/27/71/138432771.db2.gz RJMBHQAKXVQXPH-UHFFFAOYSA-N -1 3 266.300 3.434 20 0 CGADHM Cc1cc(F)c(CN[C@H](CC2CCC2)C(=O)[O-])c(F)c1 ZINC000424611120 236171834 /nfs/dbraw/zinc/17/18/34/236171834.db2.gz DUEHEFJINDVWHF-CQSZACIVSA-N -1 3 283.318 3.006 20 0 CGADHM COc1cccc(Cl)c1CN[C@H](C)[C@H](C(=O)[O-])C(C)C ZINC000424617948 236172906 /nfs/dbraw/zinc/17/29/06/236172906.db2.gz JDCMCVURRKSKAI-QMTHXVAHSA-N -1 3 299.798 3.184 20 0 CGADHM CCCN(C)C(=O)CCc1ccc2ccccc2c1[O-] ZINC000294587486 199097833 /nfs/dbraw/zinc/09/78/33/199097833.db2.gz BWSHFJGQAVWFLU-UHFFFAOYSA-N -1 3 271.360 3.346 20 0 CGADHM C[C@@H](C(=O)[O-])[C@H](NCc1ccccc1F)c1ccccc1 ZINC000426754349 236311510 /nfs/dbraw/zinc/31/15/10/236311510.db2.gz PODPKUZOLCOLRQ-WBMJQRKESA-N -1 3 287.334 3.377 20 0 CGADHM Cc1cccc(CN[C@@H](C(=O)[O-])c2cccc(F)c2)c1C ZINC000426823276 236317318 /nfs/dbraw/zinc/31/73/18/236317318.db2.gz BVCOJCOZAHWNSS-MRXNPFEDSA-N -1 3 287.334 3.358 20 0 CGADHM Cc1ccc(C(=O)N2CCC3(CCC3)CC2)c([O-])c1 ZINC000308736293 138579884 /nfs/dbraw/zinc/57/98/84/138579884.db2.gz ZBLCPTGYUNZLHV-UHFFFAOYSA-N -1 3 259.349 3.107 20 0 CGADHM COc1ccc(C(=O)N2CC(C)(C)[C@H]3CCC[C@H]32)c([O-])c1 ZINC000294728455 199154233 /nfs/dbraw/zinc/15/42/33/199154233.db2.gz LLVVYVDHNHZHLY-UONOGXRCSA-N -1 3 289.375 3.052 20 0 CGADHM C[C@H](O)C[C@H]1CCCCCN1Cc1c(F)ccc([O-])c1F ZINC000294816485 199196870 /nfs/dbraw/zinc/19/68/70/199196870.db2.gz XEPGRCTXMAWRIU-NWDGAFQWSA-N -1 3 299.361 3.186 20 0 CGADHM Cc1c2ccc(NC(=O)c3ccc(C)cc3[O-])cc2nn1C ZINC000436646875 237153995 /nfs/dbraw/zinc/15/39/95/237153995.db2.gz IAHXWBMFQZAIMM-UHFFFAOYSA-N -1 3 295.342 3.148 20 0 CGADHM O=C(NCc1cc2ccccc2s1)c1c([O-])cccc1O ZINC000436647504 237155319 /nfs/dbraw/zinc/15/53/19/237155319.db2.gz LVUNBGKETDMETC-UHFFFAOYSA-N -1 3 299.351 3.243 20 0 CGADHM COc1ccc(C(=O)NCc2coc3ccccc23)c([O-])c1 ZINC000436549963 237129889 /nfs/dbraw/zinc/12/98/89/237129889.db2.gz HFSRQQCHYULCMS-UHFFFAOYSA-N -1 3 297.310 3.077 20 0 CGADHM Cc1cn2cc(NC(=O)c3ccc(C)c(C)c3[O-])ccc2n1 ZINC000436804744 237181875 /nfs/dbraw/zinc/18/18/75/237181875.db2.gz CKAGPZCHQRONQD-UHFFFAOYSA-N -1 3 295.342 3.217 20 0 CGADHM CN(C(=O)c1ccc2c(c1[O-])CCCC2)[C@H]1CC1(C)C ZINC000436822209 237184413 /nfs/dbraw/zinc/18/44/13/237184413.db2.gz NWPKBLFGROEXGY-AWEZNQCLSA-N -1 3 273.376 3.142 20 0 CGADHM COCCN(C)C(=O)c1cc(C(C)C)cc(C(C)C)c1[O-] ZINC000436817655 237185538 /nfs/dbraw/zinc/18/55/38/237185538.db2.gz BSXGRWHWNURCQD-UHFFFAOYSA-N -1 3 293.407 3.357 20 0 CGADHM Cc1ccc(C(=O)N(C)C2(C)CCCC2)c([O-])c1C ZINC000436832375 237189161 /nfs/dbraw/zinc/18/91/61/237189161.db2.gz ISLLFBDLADZHMM-UHFFFAOYSA-N -1 3 261.365 3.414 20 0 CGADHM Cc1ccc(C(=O)N2Cc3ccccc3O[C@H](C)C2)c([O-])c1 ZINC000436686344 237158262 /nfs/dbraw/zinc/15/82/62/237158262.db2.gz GKNDZIAXYGJXBW-CYBMUJFWSA-N -1 3 297.354 3.124 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CC[C@@H](C)C3(CCC3)C2)c1 ZINC000436711648 237163970 /nfs/dbraw/zinc/16/39/70/237163970.db2.gz AZGLHSMLPGUMEK-CYBMUJFWSA-N -1 3 273.376 3.353 20 0 CGADHM Cc1ccc(C(=O)NCC2Cc3ccccc3C2)c([O-])c1C ZINC000436846472 237192294 /nfs/dbraw/zinc/19/22/94/237192294.db2.gz XLAHUXGQWJQEFG-UHFFFAOYSA-N -1 3 295.382 3.154 20 0 CGADHM Cc1ccc(C(=O)Nc2cc(C)cc(CN(C)C)c2)c([O-])c1 ZINC000436731844 237171355 /nfs/dbraw/zinc/17/13/55/237171355.db2.gz NNWJDNWLXVSYBP-UHFFFAOYSA-N -1 3 298.386 3.323 20 0 CGADHM Cc1oc2ccccc2c1CNC(=O)c1ccccc1[O-] ZINC000436739445 237172141 /nfs/dbraw/zinc/17/21/41/237172141.db2.gz NWIPLWKPKBTVAE-UHFFFAOYSA-N -1 3 281.311 3.377 20 0 CGADHM O=C(N[C@H](c1cccs1)C1CC1)c1ccccc1[O-] ZINC000436753976 237173689 /nfs/dbraw/zinc/17/36/89/237173689.db2.gz GLRYOUBNAGNWPF-AWEZNQCLSA-N -1 3 273.357 3.335 20 0 CGADHM CO[C@@H](CNC(=O)c1ccc(C)c(C)c1[O-])c1ccccc1 ZINC000436757832 237174564 /nfs/dbraw/zinc/17/45/64/237174564.db2.gz XNRKOCNWKOMVNR-INIZCTEOSA-N -1 3 299.370 3.127 20 0 CGADHM Cc1sccc1Cc1nc(-c2ccc([O-])cc2)no1 ZINC000436871179 237200696 /nfs/dbraw/zinc/20/06/96/237200696.db2.gz QARTWOYHYRFOEG-UHFFFAOYSA-N -1 3 272.329 3.403 20 0 CGADHM CSCc1cccc(CNC(=O)c2ccccc2[O-])c1 ZINC000436907866 237206680 /nfs/dbraw/zinc/20/66/80/237206680.db2.gz UCPSHAGSYNRHTM-UHFFFAOYSA-N -1 3 287.384 3.185 20 0 CGADHM Cc1cc(C(=O)N[C@@H]2CCO[C@@H](CC(C)C)C2)ccc1[O-] ZINC000436940051 237215706 /nfs/dbraw/zinc/21/57/06/237215706.db2.gz SWNZZDDTZSYPQL-CABCVRRESA-N -1 3 291.391 3.024 20 0 CGADHM Cc1noc(-c2ccccc2)c1NC([O-])=NOCC1CC1 ZINC000297222660 200117891 /nfs/dbraw/zinc/11/78/91/200117891.db2.gz PSHLNTZPTDRJSN-UHFFFAOYSA-N -1 3 287.319 3.113 20 0 CGADHM Cc1noc(-c2ccccc2)c1NC(=O)[N-]OCC1CC1 ZINC000297222660 200117892 /nfs/dbraw/zinc/11/78/92/200117892.db2.gz PSHLNTZPTDRJSN-UHFFFAOYSA-N -1 3 287.319 3.113 20 0 CGADHM CC[C@H](C)CON=C([O-])Nc1ccc(C2CCC2)cn1 ZINC000297243692 200124069 /nfs/dbraw/zinc/12/40/69/200124069.db2.gz XIBNYOZDHXQEGA-NSHDSACASA-N -1 3 277.368 3.448 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)Nc1ccc(C2CCC2)cn1 ZINC000297243692 200124070 /nfs/dbraw/zinc/12/40/70/200124070.db2.gz XIBNYOZDHXQEGA-NSHDSACASA-N -1 3 277.368 3.448 20 0 CGADHM CC(=O)c1ccsc1[N-]C(=O)c1cc(C(C)C)no1 ZINC000297672898 200259137 /nfs/dbraw/zinc/25/91/37/200259137.db2.gz CHUJSJWNPMQSDB-UHFFFAOYSA-N -1 3 278.333 3.314 20 0 CGADHM Cc1cccc(C(=O)N([C@@H](C)C2CC2)C2CC2)c1[O-] ZINC000298289960 200384634 /nfs/dbraw/zinc/38/46/34/200384634.db2.gz DLBKHZDMOTWJES-NSHDSACASA-N -1 3 259.349 3.104 20 0 CGADHM O=C(Nc1ncccc1[O-])c1cc(-c2ccccc2)ns1 ZINC000341884120 216137554 /nfs/dbraw/zinc/13/75/54/216137554.db2.gz FQKHIPFCCFZRNN-UHFFFAOYSA-N -1 3 297.339 3.163 20 0 CGADHM C[C@@H](CCC(C)(C)C)C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000352988858 219777223 /nfs/dbraw/zinc/77/72/23/219777223.db2.gz QIIXXLFNBZGXOA-AAEUAGOBSA-N -1 3 293.411 3.084 20 0 CGADHM COc1ccc(C(=O)N2C[C@@H](C)[C@H]3CCCC[C@H]32)c([O-])c1 ZINC000180563336 189262548 /nfs/dbraw/zinc/26/25/48/189262548.db2.gz ODQFXLWKQQWUPD-UXIGCNINSA-N -1 3 289.375 3.052 20 0 CGADHM CC(C)(C)c1csc(CNC(=O)c2cccc([O-])c2)n1 ZINC000182387586 189322217 /nfs/dbraw/zinc/32/22/17/189322217.db2.gz YNTPXIJIXJTZLQ-UHFFFAOYSA-N -1 3 290.388 3.076 20 0 CGADHM CCC[C@@H]1C[C@H](C(=O)Nc2ccc(C)cc2[O-])CCO1 ZINC000183400142 189357915 /nfs/dbraw/zinc/35/79/15/189357915.db2.gz KHUAEEVEVNYFPV-CHWSQXEVSA-N -1 3 277.364 3.234 20 0 CGADHM CCCCc1nnc([N-]C(=O)c2cccc(Cl)n2)s1 ZINC000120347952 370759725 /nfs/dbraw/zinc/75/97/25/370759725.db2.gz XMKKAAOAYCOUIN-UHFFFAOYSA-N -1 3 296.783 3.181 20 0 CGADHM O=C([N-]c1cccc(F)c1F)c1cc(C2CC2)on1 ZINC000335645491 212362732 /nfs/dbraw/zinc/36/27/32/212362732.db2.gz FICPZQSRJBXINL-UHFFFAOYSA-N -1 3 264.231 3.083 20 0 CGADHM C[C@@H]1CCC(C)(C)N1Cc1nc(=O)c2sccc2[n-]1 ZINC000335626671 212338987 /nfs/dbraw/zinc/33/89/87/212338987.db2.gz WBGRIBVSOFUWAB-SECBINFHSA-N -1 3 277.393 3.160 20 0 CGADHM CC(C)([N-]S(=O)(=O)c1ccc(Cl)s1)C1CCC1 ZINC000451871192 240373376 /nfs/dbraw/zinc/37/33/76/240373376.db2.gz QWURCYYXIZSFTH-UHFFFAOYSA-N -1 3 293.841 3.259 20 0 CGADHM CC1(C)CCC[C@H]1CNC(=O)NCc1ccc([O-])c(F)c1 ZINC000455090262 241186948 /nfs/dbraw/zinc/18/69/48/241186948.db2.gz NUMLQSGKWOZKPP-LBPRGKRZSA-N -1 3 294.370 3.157 20 0 CGADHM O=C(N[C@@H]1CCCC[C@@H]1C(F)(F)F)c1cccc([O-])c1 ZINC000335560440 212267772 /nfs/dbraw/zinc/26/77/72/212267772.db2.gz VOFSMWGKRZTCSJ-NWDGAFQWSA-N -1 3 287.281 3.243 20 0 CGADHM C[C@H]1C(=O)CC[C@H](C(=O)Nc2cc(F)ccc2[O-])C1(C)C ZINC000275910498 193160049 /nfs/dbraw/zinc/16/00/49/193160049.db2.gz DNCRFYKLSZLUMO-GXSJLCMTSA-N -1 3 293.338 3.111 20 0 CGADHM CC(C)C(C)(C)CNC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000275910200 193160807 /nfs/dbraw/zinc/16/08/07/193160807.db2.gz TVUCLYAKJRBSLR-UHFFFAOYSA-N -1 3 286.375 3.352 20 0 CGADHM CCCC[C@H](CCC)[N-]S(=O)(=O)c1cccs1 ZINC000484785581 243320917 /nfs/dbraw/zinc/32/09/17/243320917.db2.gz TUJNUDRCAZWQAL-NSHDSACASA-N -1 3 275.439 3.385 20 0 CGADHM COc1cccc(/C=C/C(=O)Nc2ccccc2[O-])c1 ZINC000016891408 368722154 /nfs/dbraw/zinc/72/21/54/368722154.db2.gz IRWHEGTUNWCKMI-MDZDMXLPSA-N -1 3 269.300 3.053 20 0 CGADHM C[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000013939373 368669436 /nfs/dbraw/zinc/66/94/36/368669436.db2.gz KJMUSVXKIAKWNV-RKDXNWHRSA-N -1 3 293.841 3.259 20 0 CGADHM Cc1ccc(C(=O)Nc2cc(F)cc(F)c2)c([O-])c1 ZINC000019840198 368771044 /nfs/dbraw/zinc/77/10/44/368771044.db2.gz DCERGWQHLXPKLL-UHFFFAOYSA-N -1 3 263.243 3.231 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CCC[C@H](C(F)(F)F)C2)c1 ZINC000024183361 368829623 /nfs/dbraw/zinc/82/96/23/368829623.db2.gz AARJNONPZPNUTH-JTQLQIEISA-N -1 3 287.281 3.115 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2nc(C3CC3)cs2)c1 ZINC000025559170 368849336 /nfs/dbraw/zinc/84/93/36/368849336.db2.gz CNABWJLLNMIYRU-UHFFFAOYSA-N -1 3 274.345 3.287 20 0 CGADHM CCc1ccc([C@@H](NCc2ccccc2)C(=O)[O-])cc1 ZINC000037952375 369127600 /nfs/dbraw/zinc/12/76/00/369127600.db2.gz KFQQBOPJDAJONA-MRXNPFEDSA-N -1 3 269.344 3.165 20 0 CGADHM Cn1nccc1/C=C/C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000493261629 244129427 /nfs/dbraw/zinc/12/94/27/244129427.db2.gz PNRIJXQAZITSGB-SOFGYWHQSA-N -1 3 299.374 3.075 20 0 CGADHM Cc1ccc(C(=O)N(C)CCc2ccccc2)c([O-])c1 ZINC000042363761 369217264 /nfs/dbraw/zinc/21/72/64/369217264.db2.gz FWXHHNYWJRTOCP-UHFFFAOYSA-N -1 3 269.344 3.015 20 0 CGADHM O=C([N-]c1c(F)cccc1F)c1cccc(F)c1F ZINC000054190069 369497311 /nfs/dbraw/zinc/49/73/11/369497311.db2.gz LIPXBMXXWCYWSU-UHFFFAOYSA-N -1 3 269.197 3.495 20 0 CGADHM CCC(CC)C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000064374111 369652808 /nfs/dbraw/zinc/65/28/08/369652808.db2.gz RMVJCZXNJOFUDL-UHFFFAOYSA-N -1 3 299.374 3.120 20 0 CGADHM C[C@H]1CCC[C@H]1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000504310406 244710884 /nfs/dbraw/zinc/71/08/84/244710884.db2.gz SSZXQKWOGXIUMZ-SMDDNHRTSA-N -1 3 279.355 3.159 20 0 CGADHM O=C([O-])CC[C@@H]1CCCCN1Cc1cc(F)cc(F)c1 ZINC000097903995 370256401 /nfs/dbraw/zinc/25/64/01/370256401.db2.gz VJRUNFZNIPJEBD-AWEZNQCLSA-N -1 3 283.318 3.184 20 0 CGADHM CC(=O)c1cccc(NC(=O)c2ccc(Cl)o2)c1[O-] ZINC000336512448 213390847 /nfs/dbraw/zinc/39/08/47/213390847.db2.gz ZBECNNHBDUVCDJ-UHFFFAOYSA-N -1 3 279.679 3.094 20 0 CGADHM COC(=O)c1ccc([N-]C(=O)c2ccc(Cl)o2)c(F)c1 ZINC000103935000 370334717 /nfs/dbraw/zinc/33/47/17/370334717.db2.gz PVDYTUMEUDHXQK-UHFFFAOYSA-N -1 3 297.669 3.111 20 0 CGADHM CCc1ccc([O-])c(C(=O)N(C)C(C2CC2)C2CC2)c1 ZINC000538740824 288587010 /nfs/dbraw/zinc/58/70/10/288587010.db2.gz ZKFQGEACCDSKLP-UHFFFAOYSA-N -1 3 273.376 3.215 20 0 CGADHM Cc1cccc(C(=O)Nc2ccnn2CCC(C)C)c1[O-] ZINC000538746802 288587406 /nfs/dbraw/zinc/58/74/06/288587406.db2.gz DGFNCFSXEUUANJ-UHFFFAOYSA-N -1 3 287.363 3.196 20 0 CGADHM O=C([N-]c1ccc(F)cc1F)c1ncoc1[C@H]1CCCO1 ZINC000114998370 370516125 /nfs/dbraw/zinc/51/61/25/370516125.db2.gz CQTLPSGWIBEOQR-LLVKDONJSA-N -1 3 294.257 3.057 20 0 CGADHM Cc1ccccc1[C@@H](C)CC(=O)Nc1ncccc1[O-] ZINC000116440977 370560997 /nfs/dbraw/zinc/56/09/97/370560997.db2.gz PEWMUCKJXSXJCW-LBPRGKRZSA-N -1 3 270.332 3.228 20 0 CGADHM COCc1ccc(C(=O)Nc2cc(Cl)cc(C)c2[O-])o1 ZINC000116979292 370576541 /nfs/dbraw/zinc/57/65/41/370576541.db2.gz ANGFHCZDDKFSCA-UHFFFAOYSA-N -1 3 295.722 3.346 20 0 CGADHM C[C@H](C(=O)Nc1ccc([O-])c(Cl)c1)N1CCCCCC1 ZINC000129565483 370993014 /nfs/dbraw/zinc/99/30/14/370993014.db2.gz GJAZPPRPTOOBIC-LLVKDONJSA-N -1 3 296.798 3.249 20 0 CGADHM Cc1ccc([O-])c(CN2C[C@@H](c3ccccc3)OC[C@@H]2C)n1 ZINC000130626130 371046732 /nfs/dbraw/zinc/04/67/32/371046732.db2.gz ZSYJJYCEGPIQEK-KSSFIOAISA-N -1 3 298.386 3.058 20 0 CGADHM O=C(Nc1ccccc1[O-])c1c(F)ccc(F)c1F ZINC000132567686 371185014 /nfs/dbraw/zinc/18/50/14/371185014.db2.gz SJASFEBGNHJYFK-UHFFFAOYSA-N -1 3 267.206 3.062 20 0 CGADHM Cc1cc(C)cc(C(=O)NCc2ccc([O-])c(F)c2)c1 ZINC000133085425 371226257 /nfs/dbraw/zinc/22/62/57/371226257.db2.gz MYJDGFCKBCKPDR-UHFFFAOYSA-N -1 3 273.307 3.078 20 0 CGADHM O=C(NCc1ccc([O-])c(F)c1)c1ccnc2ccccc21 ZINC000132936800 371213988 /nfs/dbraw/zinc/21/39/88/371213988.db2.gz GDKHSUKYFVFOET-UHFFFAOYSA-N -1 3 296.301 3.010 20 0 CGADHM C[C@H](NC(=O)Cc1ccc([O-])cc1Cl)c1ccccc1 ZINC000133662537 371270373 /nfs/dbraw/zinc/27/03/73/371270373.db2.gz XIOGPGBVWCJVER-NSHDSACASA-N -1 3 289.762 3.466 20 0 CGADHM O=C(Cc1cc(Cl)ccc1Cl)Nc1ncccc1[O-] ZINC000134088491 371301156 /nfs/dbraw/zinc/30/11/56/371301156.db2.gz QOFNKHMCIJPBIB-UHFFFAOYSA-N -1 3 297.141 3.275 20 0 CGADHM CC(C)CO[N-]C(=O)CCCc1c[nH]c2ccccc12 ZINC000135337758 371417757 /nfs/dbraw/zinc/41/77/57/371417757.db2.gz UPLJJQRWUKIUAJ-UHFFFAOYSA-N -1 3 274.364 3.194 20 0 CGADHM Cc1cc(F)ccc1C(=O)N1CCCc2cccc([O-])c21 ZINC000135884335 371451441 /nfs/dbraw/zinc/45/14/41/371451441.db2.gz HSGUGZDGZKRFMW-UHFFFAOYSA-N -1 3 285.318 3.433 20 0 CGADHM Cc1ccc([C@H](C)NC(=O)Cc2ccc([O-])cc2Cl)o1 ZINC000136102265 371460039 /nfs/dbraw/zinc/46/00/39/371460039.db2.gz FOTVBSCNAQRZCZ-JTQLQIEISA-N -1 3 293.750 3.367 20 0 CGADHM O=C(Cc1ccc([O-])cc1Cl)Nc1ccc(F)cc1 ZINC000136097830 371460165 /nfs/dbraw/zinc/46/01/65/371460165.db2.gz PUHYYZQJPFCZAO-UHFFFAOYSA-N -1 3 279.698 3.366 20 0 CGADHM COc1ccc(C(=O)N2CC[C@H](C3CCCC3)C2)c([O-])c1 ZINC000421655824 371595165 /nfs/dbraw/zinc/59/51/65/371595165.db2.gz ONZZNSMLWQANQZ-ZDUSSCGKSA-N -1 3 289.375 3.053 20 0 CGADHM Cc1cccc(C(=O)N2CCc3ccc(F)cc3C2)c1[O-] ZINC000151474457 371605758 /nfs/dbraw/zinc/60/57/58/371605758.db2.gz BQCLUWPIBXHMKP-UHFFFAOYSA-N -1 3 285.318 3.038 20 0 CGADHM CC(C)(C(=O)Nc1ccc(Cl)cc1[O-])C1CC1 ZINC000287777777 371704743 /nfs/dbraw/zinc/70/47/43/371704743.db2.gz RVBZJIBOGJOIIQ-UHFFFAOYSA-N -1 3 253.729 3.420 20 0 CGADHM COCCCO[N-]C(=O)Nc1ccc2oc(C)c(C)c2c1 ZINC000287617743 371683834 /nfs/dbraw/zinc/68/38/34/371683834.db2.gz PJVVYOMUAVOUOE-UHFFFAOYSA-N -1 3 292.335 3.139 20 0 CGADHM O=C(Nc1ccccc1[O-])c1cc(F)c(F)cc1F ZINC000153313895 371763242 /nfs/dbraw/zinc/76/32/42/371763242.db2.gz ZPCHDKGXCZZYPI-UHFFFAOYSA-N -1 3 267.206 3.062 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])C1(CCF)CC1 ZINC000289893271 371848106 /nfs/dbraw/zinc/84/81/06/371848106.db2.gz IQAKKLYVFOFFHM-UHFFFAOYSA-N -1 3 257.692 3.124 20 0 CGADHM O=C([O-])C[C@@H](NCc1ccc(F)cc1)c1cccs1 ZINC000037087847 541860905 /nfs/dbraw/zinc/86/09/05/541860905.db2.gz ILEKTVJZHHPVLT-GFCCVEGCSA-N -1 3 279.336 3.193 20 0 CGADHM CCON=C([O-])Nc1c(F)cccc1SCC ZINC000290081071 371898363 /nfs/dbraw/zinc/89/83/63/371898363.db2.gz KAOYUHMHBKXJDE-UHFFFAOYSA-N -1 3 258.318 3.011 20 0 CGADHM CCO[N-]C(=O)Nc1c(F)cccc1SCC ZINC000290081071 371898367 /nfs/dbraw/zinc/89/83/67/371898367.db2.gz KAOYUHMHBKXJDE-UHFFFAOYSA-N -1 3 258.318 3.011 20 0 CGADHM Cc1ccccc1CN[C@H](CC(=O)[O-])c1cccs1 ZINC000037087868 541860979 /nfs/dbraw/zinc/86/09/79/541860979.db2.gz MPSFQIYJZLOMJS-CYBMUJFWSA-N -1 3 275.373 3.362 20 0 CGADHM CC[C@H]1CCC[C@H]1NC(=O)c1cc([O-])ccc1Cl ZINC000290262880 371949680 /nfs/dbraw/zinc/94/96/80/371949680.db2.gz AJYFSUIHXZCLDA-TVQRCGJNSA-N -1 3 267.756 3.354 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)Sc2nc3ccccc3o2)n1 ZINC000155859861 371950270 /nfs/dbraw/zinc/95/02/70/371950270.db2.gz SQGBFLCWBCPTBB-SECBINFHSA-N -1 3 287.344 3.485 20 0 CGADHM O=C(c1cc([O-])ccc1Cl)N1CCCc2occc2C1 ZINC000290689686 372039516 /nfs/dbraw/zinc/03/95/16/372039516.db2.gz PRWXRSLBRRQWBQ-UHFFFAOYSA-N -1 3 291.734 3.227 20 0 CGADHM CC(C)N(CCC(=O)[O-])Cc1coc(-c2cccs2)n1 ZINC000037596067 541865160 /nfs/dbraw/zinc/86/51/60/541865160.db2.gz LNRRIVDFBBEXJE-UHFFFAOYSA-N -1 3 294.376 3.088 20 0 CGADHM CC(C)c1nc([C@@H](C)NCc2cccc([O-])c2Cl)n[nH]1 ZINC000293309067 372351643 /nfs/dbraw/zinc/35/16/43/372351643.db2.gz QCJIJMMQBJSNCF-SECBINFHSA-N -1 3 294.786 3.138 20 0 CGADHM Cc1cccc2c(=O)c(C(=O)N(C)[C@H]3CC[C@H](C)C3)c[n-]c12 ZINC000430696644 372391587 /nfs/dbraw/zinc/39/15/87/372391587.db2.gz JXFTXANANQZAMU-AAEUAGOBSA-N -1 3 298.386 3.097 20 0 CGADHM COc1ccc([O-])c(C(=O)N2CC3(CCC3)[C@H]2C(C)C)c1 ZINC000293567959 372413302 /nfs/dbraw/zinc/41/33/02/372413302.db2.gz DWGMITKMKRPYCE-OAHLLOKOSA-N -1 3 289.375 3.052 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2ccccc2-c2ccnn2C)n1 ZINC000431173024 372441138 /nfs/dbraw/zinc/44/11/38/372441138.db2.gz NIITWVSBDMHWMR-FPLPWBNLSA-N -1 3 292.342 3.062 20 0 CGADHM C[C@@H](CC(=O)[N-]OCC1CC1)C(=O)c1ccc(Cl)cc1 ZINC000293716946 372459405 /nfs/dbraw/zinc/45/94/05/372459405.db2.gz GDMOBQLDRXMULW-JTQLQIEISA-N -1 3 295.766 3.007 20 0 CGADHM Cc1cccc2c(=O)c(C(=O)N3[C@H](C)CC[C@@H]3C)c[n-]c12 ZINC000164811952 372534153 /nfs/dbraw/zinc/53/41/53/372534153.db2.gz FCQRRWUWYKNUBO-TXEJJXNPSA-N -1 3 284.359 3.262 20 0 CGADHM CCCCN(CCCO)Cc1cccc([O-])c1Cl ZINC000293993327 372549317 /nfs/dbraw/zinc/54/93/17/372549317.db2.gz SGYDWHDFRGBGJI-UHFFFAOYSA-N -1 3 271.788 3.030 20 0 CGADHM COC(=O)c1[n-]c(=N[C@@H]2CC[C@H]3CCC[C@H]3C2)sc1C ZINC000433765344 372627288 /nfs/dbraw/zinc/62/72/88/372627288.db2.gz KMQMGUOOSWECPI-GRYCIOLGSA-N -1 3 294.420 3.041 20 0 CGADHM O=C(Nc1ccccc1[O-])c1cnc2ccccc2c1 ZINC000169832753 372632561 /nfs/dbraw/zinc/63/25/61/372632561.db2.gz IDCSBEBWXYLLKJ-UHFFFAOYSA-N -1 3 264.284 3.193 20 0 CGADHM O=C(c1ccc2n[n-]nc2c1)N1CCC2(CCCCC2)CC1 ZINC000171016545 372699966 /nfs/dbraw/zinc/69/99/66/372699966.db2.gz DOZHZQPSXHEOHF-UHFFFAOYSA-N -1 3 298.390 3.144 20 0 CGADHM CSC[C@H]1CCCN1Cc1cccc([O-])c1Cl ZINC000295249370 372717794 /nfs/dbraw/zinc/71/77/94/372717794.db2.gz FUJVHMLLKNCALF-LLVKDONJSA-N -1 3 271.813 3.373 20 0 CGADHM Cc1cccc(F)c1S(=O)(=O)[N-]C1CCC2(CC2)CC1 ZINC000434778835 372710324 /nfs/dbraw/zinc/71/03/24/372710324.db2.gz YFEYHTXDTPHKMH-UHFFFAOYSA-N -1 3 297.395 3.135 20 0 CGADHM CC(C)COC1CCN(Cc2c(F)ccc([O-])c2F)CC1 ZINC000295314470 372735148 /nfs/dbraw/zinc/73/51/48/372735148.db2.gz KWNIYJAWTLDEFS-UHFFFAOYSA-N -1 3 299.361 3.307 20 0 CGADHM C/C(=C\c1cccc(Cl)c1)C(=O)[N-]OC(C)C ZINC000295525193 372815440 /nfs/dbraw/zinc/81/54/40/372815440.db2.gz IYJFSXBTVJFQJO-JXMROGBWSA-N -1 3 253.729 3.200 20 0 CGADHM CCc1cccc2c1OCC[C@@H]2NC(=O)c1ccccc1[O-] ZINC000436633371 372837940 /nfs/dbraw/zinc/83/79/40/372837940.db2.gz YZXLYFQSNRENEY-HNNXBMFYSA-N -1 3 297.354 3.208 20 0 CGADHM C[C@@H]1[C@@H](C)CCN1C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436575025 372837964 /nfs/dbraw/zinc/83/79/64/372837964.db2.gz LUYNPWOONGZZRL-NWDGAFQWSA-N -1 3 273.376 3.142 20 0 CGADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)C1CCCCCCC1 ZINC000172869347 373053090 /nfs/dbraw/zinc/05/30/90/373053090.db2.gz SXCHCKYPCYFUAS-UHFFFAOYSA-N -1 3 290.289 3.123 20 0 CGADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)C1CCCCCCC1 ZINC000172869347 373053100 /nfs/dbraw/zinc/05/31/00/373053100.db2.gz SXCHCKYPCYFUAS-UHFFFAOYSA-N -1 3 290.289 3.123 20 0 CGADHM COc1ccc(NC([O-])=NOC(C)C)c(C(F)(F)F)c1 ZINC000296535679 373167480 /nfs/dbraw/zinc/16/74/80/373167480.db2.gz DUMYCMKKJYUUKY-UHFFFAOYSA-N -1 3 292.257 3.176 20 0 CGADHM COc1ccc(NC(=O)[N-]OC(C)C)c(C(F)(F)F)c1 ZINC000296535679 373167485 /nfs/dbraw/zinc/16/74/85/373167485.db2.gz DUMYCMKKJYUUKY-UHFFFAOYSA-N -1 3 292.257 3.176 20 0 CGADHM O=C(CCCc1ccc([O-])c(F)c1)Nc1ccccc1O ZINC000344898027 217350598 /nfs/dbraw/zinc/35/05/98/217350598.db2.gz ZQWISMIGFDBQDF-UHFFFAOYSA-N -1 3 289.306 3.198 20 0 CGADHM Cc1ccc([O-])c(C(=O)N(Cc2ccco2)C(C)C)c1 ZINC000298426201 373326419 /nfs/dbraw/zinc/32/64/19/373326419.db2.gz VOXUDRVLFLKMEF-UHFFFAOYSA-N -1 3 273.332 3.344 20 0 CGADHM COc1cccc(C(=O)N2C[C@@H](C)[C@H]2c2ccccc2)c1[O-] ZINC000175164618 373422539 /nfs/dbraw/zinc/42/25/39/373422539.db2.gz JSJJJYNAVVESJQ-WBMJQRKESA-N -1 3 297.354 3.234 20 0 CGADHM O=C(NCc1ccc([O-])c(F)c1)N1CCC[C@@H]2CCC[C@@H]21 ZINC000175191299 373426292 /nfs/dbraw/zinc/42/62/92/373426292.db2.gz JIDYLAJNZXQTTG-JSGCOSHPSA-N -1 3 292.354 3.005 20 0 CGADHM O=C(c1ccccc1[O-])N1CCC(F)(c2ccccc2)CC1 ZINC000447616548 373465837 /nfs/dbraw/zinc/46/58/37/373465837.db2.gz ZOQLFTJHWOCFMZ-UHFFFAOYSA-N -1 3 299.345 3.493 20 0 CGADHM COc1ccc2c(c1)CCN2C(=O)c1ccc(C)c(C)c1[O-] ZINC000299432460 373540451 /nfs/dbraw/zinc/54/04/51/373540451.db2.gz IPQJJXYWJSBKQG-UHFFFAOYSA-N -1 3 297.354 3.221 20 0 CGADHM O=C(c1ccccc1[O-])N1CC=C(c2ccc(F)cc2)CC1 ZINC000178898071 373814274 /nfs/dbraw/zinc/81/42/74/373814274.db2.gz UBUQTZXCOBWMHO-UHFFFAOYSA-N -1 3 297.329 3.461 20 0 CGADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCCC[C@H]3C)nc2)n1 ZINC000301562447 373785243 /nfs/dbraw/zinc/78/52/43/373785243.db2.gz USAKUHHWLDPOQW-GFCCVEGCSA-N -1 3 298.390 3.185 20 0 CGADHM Cc1cncc(/C=C/C(=O)Nc2cc(Cl)ccc2[O-])c1 ZINC000179462585 373877005 /nfs/dbraw/zinc/87/70/05/373877005.db2.gz IAQPNPZPQNHIPO-GORDUTHDSA-N -1 3 288.734 3.401 20 0 CGADHM CCCCc1nnc(NC(=O)c2cccc(C)c2[O-])s1 ZINC000302975586 374007655 /nfs/dbraw/zinc/00/76/55/374007655.db2.gz RZHTYEALYRHVEI-UHFFFAOYSA-N -1 3 291.376 3.147 20 0 CGADHM C[C@@H]1CC[C@@H](C(=O)NCc2ccc([O-])c(F)c2)C[C@@H]1C ZINC000449911639 373968515 /nfs/dbraw/zinc/96/85/15/373968515.db2.gz ITYQEELCFFEZTB-NTZNESFSSA-N -1 3 279.355 3.220 20 0 CGADHM CCOc1ccc(CN=c2[n-]c(C(C)=O)c(C)s2)cc1 ZINC000450277350 374035961 /nfs/dbraw/zinc/03/59/61/374035961.db2.gz OXIPHCCPPUHRIJ-UHFFFAOYSA-N -1 3 290.388 3.087 20 0 CGADHM O=C(Cc1ccc2c(c1)CCC2)Nc1ccc([O-])cc1F ZINC000180854629 374051969 /nfs/dbraw/zinc/05/19/69/374051969.db2.gz ZOJPDQJYIMRUBR-UHFFFAOYSA-N -1 3 285.318 3.201 20 0 CGADHM C[C@@H]1CCC[C@@]1(C)C(=O)Nc1cc(F)ccc1[O-] ZINC000450402949 374105908 /nfs/dbraw/zinc/10/59/08/374105908.db2.gz LLQMFAGQTHLDOG-YMTOWFKASA-N -1 3 251.301 3.296 20 0 CGADHM O=C(NCc1ccc2ccccc2c1)c1cccc([O-])c1 ZINC000181865332 374183788 /nfs/dbraw/zinc/18/37/88/374183788.db2.gz BNPJFYXUQPTPFW-UHFFFAOYSA-N -1 3 277.323 3.475 20 0 CGADHM CN(C(=O)Cc1ccc([O-])cc1Cl)c1ccc(F)cc1 ZINC000182145287 374225506 /nfs/dbraw/zinc/22/55/06/374225506.db2.gz HWMFJDPXXWEMAF-UHFFFAOYSA-N -1 3 293.725 3.390 20 0 CGADHM Cc1cccc([C@H](C)N[C@@H](C)c2nc(C)cc(=O)[n-]2)c1 ZINC000452080007 374227803 /nfs/dbraw/zinc/22/78/03/374227803.db2.gz GSSJZSPBXAYTGO-STQMWFEESA-N -1 3 271.364 3.211 20 0 CGADHM CC(C)Oc1ccc(CNC(=O)c2cccc([O-])c2)cc1 ZINC000181890129 374188072 /nfs/dbraw/zinc/18/80/72/374188072.db2.gz DGXICKRENWZREE-UHFFFAOYSA-N -1 3 285.343 3.109 20 0 CGADHM CC(C)c1ccccc1NC(=O)c1cccc2nn[n-]c21 ZINC000182697166 374314984 /nfs/dbraw/zinc/31/49/84/374314984.db2.gz DIXBPZDETJKIIP-UHFFFAOYSA-N -1 3 280.331 3.334 20 0 CGADHM CC(C)c1ccccc1NC(=O)c1cccc2[n-]nnc21 ZINC000182697166 374314990 /nfs/dbraw/zinc/31/49/90/374314990.db2.gz DIXBPZDETJKIIP-UHFFFAOYSA-N -1 3 280.331 3.334 20 0 CGADHM CC(C)c1ccccc1NC(=O)c1cccc2n[n-]nc21 ZINC000182697166 374314995 /nfs/dbraw/zinc/31/49/95/374314995.db2.gz DIXBPZDETJKIIP-UHFFFAOYSA-N -1 3 280.331 3.334 20 0 CGADHM Cc1cccc([O-])c1NC(=O)[C@@H](C)OCCC(C)C ZINC000183035352 374359318 /nfs/dbraw/zinc/35/93/18/374359318.db2.gz NKMVIJGTOXCYTC-GFCCVEGCSA-N -1 3 265.353 3.090 20 0 CGADHM Cc1cccc(C)c1OCC(=O)Nc1ccc([O-])cc1F ZINC000183264143 374393635 /nfs/dbraw/zinc/39/36/35/374393635.db2.gz GCMVOHYECVUDMF-UHFFFAOYSA-N -1 3 289.306 3.166 20 0 CGADHM Cc1cc(F)ccc1CN1CCC[C@@H](CCC(=O)[O-])C1 ZINC000086809881 541941154 /nfs/dbraw/zinc/94/11/54/541941154.db2.gz XWOLUGXZJRJNJP-ZDUSSCGKSA-N -1 3 279.355 3.211 20 0 CGADHM COCC(C)(C)C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000330405384 374459540 /nfs/dbraw/zinc/45/95/40/374459540.db2.gz PZSWTEBTZKNRJZ-UHFFFAOYSA-N -1 3 279.380 3.301 20 0 CGADHM Cc1ccc(C)c(C[S@@](=O)c2cccc([O-])c2)c1 ZINC000184064605 374488359 /nfs/dbraw/zinc/48/83/59/374488359.db2.gz UQYNPMGWVIKUMJ-GOSISDBHSA-N -1 3 260.358 3.317 20 0 CGADHM CC(=O)c1ccc(C(=O)N(C)CC2CCCCC2)cc1[O-] ZINC000331223685 374514752 /nfs/dbraw/zinc/51/47/52/374514752.db2.gz AGTDLECIOYMUSQ-UHFFFAOYSA-N -1 3 289.375 3.247 20 0 CGADHM COc1ccc(NC(=O)[C@@H](C)C(C)(C)C)c([O-])c1 ZINC000331271203 374519093 /nfs/dbraw/zinc/51/90/93/374519093.db2.gz BESWGUHDCHAOJY-SECBINFHSA-N -1 3 251.326 3.022 20 0 CGADHM C[C@H](CC1CCCCC1)C(=O)NCc1ncccc1[O-] ZINC000331027095 374497963 /nfs/dbraw/zinc/49/79/63/374497963.db2.gz VWYSGZXUIPGBES-GFCCVEGCSA-N -1 3 276.380 3.010 20 0 CGADHM C[C@@H](c1ccncc1)N(C)C(=O)c1cc([O-])ccc1Cl ZINC000334195522 206175989 /nfs/dbraw/zinc/17/59/89/206175989.db2.gz JRHBFSWSMQLIAL-JTQLQIEISA-N -1 3 290.750 3.274 20 0 CGADHM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)c1csc(=O)[n-]1 ZINC000332931309 374597292 /nfs/dbraw/zinc/59/72/92/374597292.db2.gz FVQFLLIUHXOPNA-OUAUKWLOSA-N -1 3 282.409 3.039 20 0 CGADHM [O-]c1cc(F)cc(CN[C@H]2CCc3cc(F)ccc32)c1 ZINC000185496624 374674711 /nfs/dbraw/zinc/67/47/11/374674711.db2.gz RTRWFXCPCZMFCK-INIZCTEOSA-N -1 3 275.298 3.448 20 0 CGADHM Cc1ccc(C(=O)N2CC[C@H](C(F)(F)F)[C@H]2C)c([O-])c1 ZINC000334430824 374745386 /nfs/dbraw/zinc/74/53/86/374745386.db2.gz JYVNFCPVDILLCP-KOLCDFICSA-N -1 3 287.281 3.114 20 0 CGADHM O=S(=O)([N-]c1cccc(Cl)c1F)c1ccsc1 ZINC000334386647 374704931 /nfs/dbraw/zinc/70/49/31/374704931.db2.gz OPZAQRXZKGRXTL-UHFFFAOYSA-N -1 3 291.756 3.341 20 0 CGADHM CC1(C)CCC[C@@H]1C(=O)Nc1cccc([O-])c1F ZINC000334535223 374831449 /nfs/dbraw/zinc/83/14/49/374831449.db2.gz PXSAANGCTVKRGZ-SECBINFHSA-N -1 3 251.301 3.296 20 0 CGADHM CS[C@@H](C)CC(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000186262706 374822133 /nfs/dbraw/zinc/82/21/33/374822133.db2.gz UQGYABWSMRJEHZ-MNOVXSKESA-N -1 3 279.405 3.374 20 0 CGADHM C[C@H]1CCN(C(=O)CCc2ccccn2)c2c([O-])cccc21 ZINC000186258182 374823399 /nfs/dbraw/zinc/82/33/99/374823399.db2.gz KGWIQRHVPGUDIU-ZDUSSCGKSA-N -1 3 296.370 3.260 20 0 CGADHM CCc1cc(C(=O)N[C@]2(C)CC=CCC2)ccc1[O-] ZINC000458345877 374774438 /nfs/dbraw/zinc/77/44/38/374774438.db2.gz NJCXOSXOOSNJCT-MRXNPFEDSA-N -1 3 259.349 3.183 20 0 CGADHM CC(C)(C)[C@H]1CCN(Cc2nc(=O)c3sccc3[n-]2)C1 ZINC000334593148 374890990 /nfs/dbraw/zinc/89/09/90/374890990.db2.gz DCWCEVHSMQADBK-JTQLQIEISA-N -1 3 291.420 3.265 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)[C@H]2CCC(=O)[C@@H](C)C2)c1[O-] ZINC000334537285 374834356 /nfs/dbraw/zinc/83/43/56/374834356.db2.gz ITPMRDJOCWTQBB-WPRPVWTQSA-N -1 3 295.766 3.298 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])c1ccnc2ccncc21 ZINC000186998437 374953158 /nfs/dbraw/zinc/95/31/58/374953158.db2.gz VRVPCLRIQTUAEQ-UHFFFAOYSA-N -1 3 299.717 3.241 20 0 CGADHM [O-]c1ccc(Cc2nc([C@@H]3CCCCS3)no2)cc1F ZINC000334676154 374965533 /nfs/dbraw/zinc/96/55/33/374965533.db2.gz SSGKSUOPMSMWOC-LBPRGKRZSA-N -1 3 294.351 3.463 20 0 CGADHM C[C@H](c1ccc(F)cc1)[S@](=O)c1ccc([O-])cc1 ZINC000334255053 206265657 /nfs/dbraw/zinc/26/56/57/206265657.db2.gz LDZMEBFQVIHAKC-MGNBDDOMSA-N -1 3 264.321 3.400 20 0 CGADHM CC(C)(C)[C@H]1CCCN(C(=O)c2csc(=O)[n-]2)CC1 ZINC000334698059 374984270 /nfs/dbraw/zinc/98/42/70/374984270.db2.gz JCWNTXUWPYNEBL-JTQLQIEISA-N -1 3 282.409 3.137 20 0 CGADHM CC(C)CNC(=O)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000187326316 375004060 /nfs/dbraw/zinc/00/40/60/375004060.db2.gz IVGUIXUBNLDZLU-UHFFFAOYSA-N -1 3 283.784 3.177 20 0 CGADHM [O-]c1cc(F)cc(CN2CCOC3(C2)CCCCCC3)c1 ZINC000473141828 375045944 /nfs/dbraw/zinc/04/59/44/375045944.db2.gz GYBXYMFFTPRQOD-UHFFFAOYSA-N -1 3 293.382 3.457 20 0 CGADHM C[C@H]1CCCC[C@@]1(C)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000335093313 375125154 /nfs/dbraw/zinc/12/51/54/375125154.db2.gz WRKVAGSUCNOQIQ-KPZWWZAWSA-N -1 3 298.386 3.227 20 0 CGADHM CCc1cc(C(=O)NC[C@@H]2CCC[C@@H]2C)ccc1[O-] ZINC000487525385 375246641 /nfs/dbraw/zinc/24/66/41/375246641.db2.gz KMUSGTDREBWFFD-FZMZJTMJSA-N -1 3 261.365 3.121 20 0 CGADHM O=C(N[C@H]1CCC[C@@H](F)C1)c1cc([O-])ccc1Cl ZINC000335524037 375326996 /nfs/dbraw/zinc/32/69/96/375326996.db2.gz YCUMHDFXCWPMAG-BDAKNGLRSA-N -1 3 271.719 3.056 20 0 CGADHM CN(Cc1nc2c3ccccc3oc2c(=O)[n-]1)[C@H]1CC1(C)C ZINC000489494984 375317406 /nfs/dbraw/zinc/31/74/06/375317406.db2.gz IRBLEJHONMKJOX-LBPRGKRZSA-N -1 3 297.358 3.312 20 0 CGADHM COc1ccc(NC(=O)/C=C\c2ccsc2)c([O-])c1 ZINC000491978467 375384334 /nfs/dbraw/zinc/38/43/34/375384334.db2.gz BIIZGDHZEPBADJ-DJWKRKHSSA-N -1 3 275.329 3.114 20 0 CGADHM C[C@H](c1ccc(F)cc1)[S@](=O)c1cccc([O-])c1 ZINC000335831285 375466626 /nfs/dbraw/zinc/46/66/26/375466626.db2.gz NFFLLTBJGSUORL-MGNBDDOMSA-N -1 3 264.321 3.400 20 0 CGADHM O=C(/C=C/c1cc2ccccc2o1)[N-]OCC(F)(F)F ZINC000492156755 375431902 /nfs/dbraw/zinc/43/19/02/375431902.db2.gz QSVDXLRPBZJKOW-AATRIKPKSA-N -1 3 285.221 3.056 20 0 CGADHM C[C@@H]1CCc2onc(C(=O)[N-]c3cccc(F)c3F)c2C1 ZINC000335889210 375516531 /nfs/dbraw/zinc/51/65/31/375516531.db2.gz DHRKDZMJKNKUOM-MRVPVSSYSA-N -1 3 292.285 3.330 20 0 CGADHM Cc1nscc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000335982235 375590914 /nfs/dbraw/zinc/59/09/14/375590914.db2.gz NTBHRUHADUTCPA-UHFFFAOYSA-N -1 3 268.725 3.063 20 0 CGADHM CC(C)c1scnc1C(=O)Nc1cc(F)ccc1[O-] ZINC000336017073 375622097 /nfs/dbraw/zinc/62/20/97/375622097.db2.gz HLWAGGXYTJWYAQ-UHFFFAOYSA-N -1 3 280.324 3.364 20 0 CGADHM Cc1c(Cl)cccc1NC(=O)NCc1ncccc1[O-] ZINC000336055647 375650523 /nfs/dbraw/zinc/65/05/23/375650523.db2.gz UBSBZTHBDDASDE-UHFFFAOYSA-N -1 3 291.738 3.071 20 0 CGADHM CCc1cnc(NC(=O)c2cc([O-])ccc2Cl)s1 ZINC000336141197 375720143 /nfs/dbraw/zinc/72/01/43/375720143.db2.gz UBGAPXLGXWGZDZ-UHFFFAOYSA-N -1 3 282.752 3.317 20 0 CGADHM Cc1ccc(CN(C)[C@@H](C)c2nc(C)cc(=O)[n-]2)s1 ZINC000192569436 375766173 /nfs/dbraw/zinc/76/61/73/375766173.db2.gz ZZOAKIOSCSZDIU-NSHDSACASA-N -1 3 277.393 3.054 20 0 CGADHM CC(C)[C@H]1CCN(C(=O)Cc2ccc([O-])cc2Cl)C1 ZINC000509033643 375769251 /nfs/dbraw/zinc/76/92/51/375769251.db2.gz SFJUYZVXTZYZGJ-LBPRGKRZSA-N -1 3 281.783 3.093 20 0 CGADHM Cc1ccc(C(=O)N2CCC[C@@H]2c2cccn2C)c([O-])c1 ZINC000192915647 375800901 /nfs/dbraw/zinc/80/09/01/375800901.db2.gz KHWLKVKLXUOVAL-OAHLLOKOSA-N -1 3 284.359 3.016 20 0 CGADHM Cc1ccc(C(=O)N2CCC[C@H]2c2cccn2C)c([O-])c1 ZINC000192915660 375801907 /nfs/dbraw/zinc/80/19/07/375801907.db2.gz KHWLKVKLXUOVAL-HNNXBMFYSA-N -1 3 284.359 3.016 20 0 CGADHM Cc1ccc(NC(=O)C[C@H](C)c2ccncc2)c([O-])c1 ZINC000129748744 542058399 /nfs/dbraw/zinc/05/83/99/542058399.db2.gz HBMNVODIOISTGD-LBPRGKRZSA-N -1 3 270.332 3.228 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N[C@@H](C)c2cccc(F)c2F)n1 ZINC000192764636 375786971 /nfs/dbraw/zinc/78/69/71/375786971.db2.gz KFFSBMHWFKQAIR-UWVGGRQHSA-N -1 3 293.317 3.181 20 0 CGADHM CC(C)C[C@@H](C(=O)[O-])N1CCc2sc(Cl)cc2C1 ZINC000516975923 375824427 /nfs/dbraw/zinc/82/44/27/375824427.db2.gz NQFFERLXKRMESX-JTQLQIEISA-N -1 3 287.812 3.259 20 0 CGADHM C[C@H]1C[C@H]1c1ccc(CN(CC2(C(=O)[O-])CC2)C2CC2)o1 ZINC000518546300 375830221 /nfs/dbraw/zinc/83/02/21/375830221.db2.gz DOTFEDSUQKPDOD-SMDDNHRTSA-N -1 3 289.375 3.232 20 0 CGADHM CCC[C@@H](CC)[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000519411258 375837164 /nfs/dbraw/zinc/83/71/64/375837164.db2.gz NONDYBCNHJOVCT-SNVBAGLBSA-N -1 3 293.791 3.336 20 0 CGADHM O=C(c1ccccc1[O-])N1CC[C@@H](c2ccc(F)cc2)C1 ZINC000336569195 375838420 /nfs/dbraw/zinc/83/84/20/375838420.db2.gz LUTQDIIONFAZSG-CYBMUJFWSA-N -1 3 285.318 3.161 20 0 CGADHM O=C(c1ccccc1[O-])N1CC[C@H](c2ccc(F)cc2)C1 ZINC000336569196 375838972 /nfs/dbraw/zinc/83/89/72/375838972.db2.gz LUTQDIIONFAZSG-ZDUSSCGKSA-N -1 3 285.318 3.161 20 0 CGADHM CCc1nnc([N-]C(=O)c2cc(F)ccc2Cl)s1 ZINC000336609924 375873285 /nfs/dbraw/zinc/87/32/85/375873285.db2.gz MYFXURITJVBVHE-UHFFFAOYSA-N -1 3 285.731 3.145 20 0 CGADHM CC(C)=CCNC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000194339703 375986456 /nfs/dbraw/zinc/98/64/56/375986456.db2.gz UKKFAWUFJVVZAP-UHFFFAOYSA-N -1 3 273.254 3.107 20 0 CGADHM CCC[C@H]1CCCCN1Cc1cc(C(=O)[O-])co1 ZINC000213455392 376140622 /nfs/dbraw/zinc/14/06/22/376140622.db2.gz UCWUFJSLGFLMGH-LBPRGKRZSA-N -1 3 251.326 3.132 20 0 CGADHM Cc1ccc2c(CN3CC[C@](C)(F)C3)ccc([O-])c2n1 ZINC000338276522 376308431 /nfs/dbraw/zinc/30/84/31/376308431.db2.gz ATBRZXFFALQZEO-INIZCTEOSA-N -1 3 274.339 3.183 20 0 CGADHM Cc1cc(C(=O)N2CCCc3ccccc32)ccc1[O-] ZINC000226950393 376376866 /nfs/dbraw/zinc/37/68/66/376376866.db2.gz DSOHSJWLHYYPRK-UHFFFAOYSA-N -1 3 267.328 3.294 20 0 CGADHM Cc1ccccc1[C@@H](C)[N-]S(=O)(=O)c1sccc1F ZINC000338852545 376550238 /nfs/dbraw/zinc/55/02/38/376550238.db2.gz UFWAAQWPROXFFZ-SNVBAGLBSA-N -1 3 299.392 3.235 20 0 CGADHM CCN(Cc1ccccn1)C(=O)c1cc([O-])ccc1Cl ZINC000233489314 376597377 /nfs/dbraw/zinc/59/73/77/376597377.db2.gz MSSFSJAOHKBHQH-UHFFFAOYSA-N -1 3 290.750 3.103 20 0 CGADHM CCc1ccc(CNCc2ccccc2CC(=O)[O-])cc1 ZINC000234197040 376612750 /nfs/dbraw/zinc/61/27/50/376612750.db2.gz LDRMAWLXQNDVCM-UHFFFAOYSA-N -1 3 283.371 3.166 20 0 CGADHM O=C(c1cc([O-])ccc1Cl)N1Cc2ccccc2C1 ZINC000236606883 376669353 /nfs/dbraw/zinc/66/93/53/376669353.db2.gz PTXDBRSTIMDHTE-UHFFFAOYSA-N -1 3 273.719 3.202 20 0 CGADHM C[C@@H]1CCCN(Cc2c(F)cccc2Cl)[C@@H]1C(=O)[O-] ZINC000235313611 376637279 /nfs/dbraw/zinc/63/72/79/376637279.db2.gz ADPYREDBZYSXQF-RNCFNFMXSA-N -1 3 285.746 3.164 20 0 CGADHM Cc1ccc(CN2CCCC[C@H]2C(=O)[O-])cc1Cl ZINC000235873018 376653124 /nfs/dbraw/zinc/65/31/24/376653124.db2.gz BWLTVAFHVORCLO-ZDUSSCGKSA-N -1 3 267.756 3.088 20 0 CGADHM O=C(Nc1cc(Cl)ccn1)c1cc([O-])ccc1Cl ZINC000236557367 376666733 /nfs/dbraw/zinc/66/67/33/376666733.db2.gz MSNOWSYYDJCAFW-UHFFFAOYSA-N -1 3 283.114 3.346 20 0 CGADHM Cc1ncc(CN[C@@H](C)c2ccc(Cl)c(F)c2)c(=O)[n-]1 ZINC000544384565 376726883 /nfs/dbraw/zinc/72/68/83/376726883.db2.gz VXUZPZPNCMFGHF-QMMMGPOBSA-N -1 3 295.745 3.134 20 0 CGADHM O=C(N[C@H]1C[C@H]1c1ccccc1)c1cc([O-])ccc1Cl ZINC000236608969 376673005 /nfs/dbraw/zinc/67/30/05/376673005.db2.gz DNLDXVNWGJENNV-WFASDCNBSA-N -1 3 287.746 3.332 20 0 CGADHM CC(C)n1nccc1NC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000264598572 190121290 /nfs/dbraw/zinc/12/12/90/190121290.db2.gz UXYDFKAICYDCFV-UHFFFAOYSA-N -1 3 287.150 3.351 20 0 CGADHM C[C@H](CCC(C)(C)C)C(=O)Nc1ncccc1[O-] ZINC000544590687 376749575 /nfs/dbraw/zinc/74/95/75/376749575.db2.gz RPJHPYOSBCLIDP-SNVBAGLBSA-N -1 3 250.342 3.188 20 0 CGADHM Cc1ccccc1OCC(=O)Nc1ccc(Cl)cc1[O-] ZINC000153499889 542112127 /nfs/dbraw/zinc/11/21/27/542112127.db2.gz OGMLTXMOILUUET-UHFFFAOYSA-N -1 3 291.734 3.372 20 0 CGADHM CCc1cccc(C(=O)Nc2cc3c[nH]nc3cc2C)c1[O-] ZINC000558781179 377043712 /nfs/dbraw/zinc/04/37/12/377043712.db2.gz UEJRLHXJKVGABT-UHFFFAOYSA-N -1 3 295.342 3.392 20 0 CGADHM O=C(CCc1cscn1)Nc1c([O-])cccc1Cl ZINC000560822854 377193111 /nfs/dbraw/zinc/19/31/11/377193111.db2.gz GVDJGDUYJJASOY-UHFFFAOYSA-N -1 3 282.752 3.073 20 0 CGADHM CC(=O)c1cccc(NC(=O)c2ccc(F)c(C)c2)c1[O-] ZINC000560552250 377170132 /nfs/dbraw/zinc/17/01/32/377170132.db2.gz NMDZYYYLFVUBTE-UHFFFAOYSA-N -1 3 287.290 3.295 20 0 CGADHM CC(C)(C)c1ccc(CN[C@]2(C(=O)[O-])CCSC2)s1 ZINC000340677584 377209821 /nfs/dbraw/zinc/20/98/21/377209821.db2.gz LFMVFXSAWZFNHX-CQSZACIVSA-N -1 3 299.461 3.096 20 0 CGADHM CCc1[n-][nH]c(=NC(=O)c2cc3cccc(C)c3o2)c1C ZINC000340865467 377295072 /nfs/dbraw/zinc/29/50/72/377295072.db2.gz ZKCWTQKMINHPBP-UHFFFAOYSA-N -1 3 283.331 3.009 20 0 CGADHM CC[C@]1(C)CCCN(Cc2csc(C(=O)[O-])c2)C1 ZINC000563276854 377428923 /nfs/dbraw/zinc/42/89/23/377428923.db2.gz DYOXTKALAWFYKM-CQSZACIVSA-N -1 3 267.394 3.458 20 0 CGADHM Cc1c2ccccc2nc(CN2CC=C(C)CC2)c1C(=O)[O-] ZINC000563279883 377432583 /nfs/dbraw/zinc/43/25/83/377432583.db2.gz HPFAMJLRDLVJDS-UHFFFAOYSA-N -1 3 296.370 3.393 20 0 CGADHM CC(C)CCC1CCN(C(=O)c2c([O-])cccc2O)CC1 ZINC000092124796 249032661 /nfs/dbraw/zinc/03/26/61/249032661.db2.gz KLZSVZVEQNVQFD-UHFFFAOYSA-N -1 3 291.391 3.386 20 0 CGADHM C[C@@H](C(=O)[O-])[C@H](C)N[C@@H](C)c1ccccc1Cl ZINC000093028123 249036058 /nfs/dbraw/zinc/03/60/58/249036058.db2.gz DJOHSFABKCWSTN-UTLUCORTSA-N -1 3 255.745 3.100 20 0 CGADHM CC[C@@H]1C[C@H]1CNCc1cccc([O-])c1Br ZINC000315114734 249098483 /nfs/dbraw/zinc/09/84/83/249098483.db2.gz MBZSCOVSFNDPLS-KOLCDFICSA-N -1 3 284.197 3.290 20 0 CGADHM C[C@@H](CC1CCCCC1)NC(=O)c1cccc([O-])c1 ZINC000447313862 249138387 /nfs/dbraw/zinc/13/83/87/249138387.db2.gz CZCMSSFQAYMOBR-LBPRGKRZSA-N -1 3 261.365 3.481 20 0 CGADHM CCC[C@@H](CC)S(=O)(=O)[N-]c1c(C)cccc1OC ZINC000515303746 249207188 /nfs/dbraw/zinc/20/71/88/249207188.db2.gz KEMIENNHQIOAOH-GFCCVEGCSA-N -1 3 285.409 3.324 20 0 CGADHM CC[C@H]1CCCN([C@@H](C)c2cc(C)c(C(=O)[O-])o2)C1 ZINC000515067967 249200494 /nfs/dbraw/zinc/20/04/94/249200494.db2.gz LSPAEQZAOMEDSD-RYUDHWBXSA-N -1 3 265.353 3.469 20 0 CGADHM Cc1cc(CN2CC[C@@H](C)C(C)(C)C2)oc1C(=O)[O-] ZINC000516777958 249244216 /nfs/dbraw/zinc/24/42/16/249244216.db2.gz YHKFVVOKSBFFFO-LLVKDONJSA-N -1 3 265.353 3.154 20 0 CGADHM O=C(c1ccc(Cl)o1)N1CCCc2cccc([O-])c21 ZINC000063063912 284656474 /nfs/dbraw/zinc/65/64/74/284656474.db2.gz VNQPROUFXSTFNK-UHFFFAOYSA-N -1 3 277.707 3.232 20 0 CGADHM CCCCN(C)Cc1nc2ccccc2c(C)c1C(=O)[O-] ZINC000515660088 249218304 /nfs/dbraw/zinc/21/83/04/249218304.db2.gz LMBMPNHSCURVTE-UHFFFAOYSA-N -1 3 286.375 3.473 20 0 CGADHM CC(C)C[C@@H]1C[C@H]1c1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000516186373 249227989 /nfs/dbraw/zinc/22/79/89/249227989.db2.gz IQKVYNSZXKGYKL-GHMZBOCLSA-N -1 3 283.335 3.158 20 0 CGADHM CC[C@@H](c1ccncc1)N(CC)C(=O)c1ccccc1[O-] ZINC000265720221 190201692 /nfs/dbraw/zinc/20/16/92/190201692.db2.gz LZKLTNGHBQGJCX-HNNXBMFYSA-N -1 3 284.359 3.401 20 0 CGADHM C[C@@H]1CCN([C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)C1 ZINC000574458238 377665940 /nfs/dbraw/zinc/66/59/40/377665940.db2.gz BNSDAAMTNJPHNG-PRHODGIISA-N -1 3 288.174 3.461 20 0 CGADHM Cc1ccc(/C=C\C(=O)Nc2cccc([O-])c2F)o1 ZINC000255418859 377758664 /nfs/dbraw/zinc/75/86/64/377758664.db2.gz MAQQYBAINAFSGB-FPLPWBNLSA-N -1 3 261.252 3.085 20 0 CGADHM CSc1ccc(CN2C[C@@H](C)C[C@H](C(=O)[O-])C2)s1 ZINC000263067242 377916426 /nfs/dbraw/zinc/91/64/26/377916426.db2.gz OIVSHUDBMPZUCK-UWVGGRQHSA-N -1 3 285.434 3.013 20 0 CGADHM CC(C)[C@@H](CC(F)(F)F)NCc1ccc(C(=O)[O-])cc1 ZINC000263446343 377938153 /nfs/dbraw/zinc/93/81/53/377938153.db2.gz YABIYBZEECPSDY-GFCCVEGCSA-N -1 3 289.297 3.451 20 0 CGADHM CC[C@H](C)[C@H](C)N(C(=O)c1ccc(OC)cc1[O-])C1CC1 ZINC000264363559 377980038 /nfs/dbraw/zinc/98/00/38/377980038.db2.gz JLIKGUSEGLFUBS-RYUDHWBXSA-N -1 3 291.391 3.440 20 0 CGADHM CCN(C(=O)c1c[n-]c2c(C)cc(F)cc2c1=O)C(C)C ZINC000269121552 378189611 /nfs/dbraw/zinc/18/96/11/378189611.db2.gz DKZAAFWQYNRFSV-UHFFFAOYSA-N -1 3 290.338 3.258 20 0 CGADHM CC[C@@H](SC)c1nc(-c2ccc([O-])c(OC)c2)no1 ZINC000269448273 378223899 /nfs/dbraw/zinc/22/38/99/378223899.db2.gz BNOLJGLONWWRBT-LLVKDONJSA-N -1 3 280.349 3.265 20 0 CGADHM CC[C@@H](C)n1ncc(C(=O)Nc2cccc([O-])c2F)c1C ZINC000582216034 378293357 /nfs/dbraw/zinc/29/33/57/378293357.db2.gz BYBFBUQVHXCKPJ-SECBINFHSA-N -1 3 291.326 3.260 20 0 CGADHM C[C@@H]1C[C@H](CSCc2cc(=O)[n-]c(C3CC3)n2)CCO1 ZINC000582350696 378306418 /nfs/dbraw/zinc/30/64/18/378306418.db2.gz UUBLGHAPZCNSLW-GHMZBOCLSA-N -1 3 294.420 3.108 20 0 CGADHM CCN(Cc1ccc(OC)cc1)Cc1ccccc1C(=O)[O-] ZINC000583267771 378316830 /nfs/dbraw/zinc/31/68/30/378316830.db2.gz FPGZJPJRVKQYDP-UHFFFAOYSA-N -1 3 299.370 3.416 20 0 CGADHM Cc1ccc([O-])c(NC(=O)[C@@H](C)c2cccc(Cl)c2)n1 ZINC000345940373 378415842 /nfs/dbraw/zinc/41/58/42/378415842.db2.gz NHKPITAATISARG-JTQLQIEISA-N -1 3 290.750 3.491 20 0 CGADHM CSCCCCNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000345904467 378405527 /nfs/dbraw/zinc/40/55/27/378405527.db2.gz MRPDANBKTJSODI-UHFFFAOYSA-N -1 3 299.411 3.113 20 0 CGADHM Cc1ccc([O-])c(NC(=O)[C@@H](C)Cc2cccc(F)c2)n1 ZINC000345921817 378409677 /nfs/dbraw/zinc/40/96/77/378409677.db2.gz FAPPNWXHXMKUBW-JTQLQIEISA-N -1 3 288.322 3.052 20 0 CGADHM Cc1ccc([O-])c(CN2CCc3sccc3[C@H]2C)n1 ZINC000271043940 378434933 /nfs/dbraw/zinc/43/49/33/378434933.db2.gz PVILKUAPSQARDF-LLVKDONJSA-N -1 3 274.389 3.276 20 0 CGADHM CS[C@H](C(=O)Nc1nc(C)ccc1[O-])c1ccccc1 ZINC000346001259 378435724 /nfs/dbraw/zinc/43/57/24/378435724.db2.gz VZQNROLHCGJAHU-ZDUSSCGKSA-N -1 3 288.372 3.138 20 0 CGADHM COc1cc(-c2noc(C(C)(Cl)Cl)n2)ccc1[O-] ZINC000271954279 378528832 /nfs/dbraw/zinc/52/88/32/378528832.db2.gz PNELINPUHAHPOQ-UHFFFAOYSA-N -1 3 289.118 3.101 20 0 CGADHM Cc1cc(F)cc2c(=O)c(C(=O)N(C)CC(C)C)c[n-]c12 ZINC000266125197 190232238 /nfs/dbraw/zinc/23/22/38/190232238.db2.gz AAYFKEAGMBTPHB-UHFFFAOYSA-N -1 3 290.338 3.116 20 0 CGADHM CCOc1nc2cc(C(=O)N(C)C[C@H](C)CC)ccc2[n-]1 ZINC000346368889 378558293 /nfs/dbraw/zinc/55/82/93/378558293.db2.gz WIFYIWLYTCTKNH-LLVKDONJSA-N -1 3 289.379 3.080 20 0 CGADHM CCOc1nc2ccc(C(=O)N(C)C[C@H](C)CC)cc2[n-]1 ZINC000346368889 378558300 /nfs/dbraw/zinc/55/83/00/378558300.db2.gz WIFYIWLYTCTKNH-LLVKDONJSA-N -1 3 289.379 3.080 20 0 CGADHM CCN(C(=O)c1ccc([O-])c(C)c1)[C@H](C)c1cccnc1 ZINC000272395172 378627040 /nfs/dbraw/zinc/62/70/40/378627040.db2.gz HIXWMEZXDNCLHI-CYBMUJFWSA-N -1 3 284.359 3.319 20 0 CGADHM CCN(CCc1cccs1)C(=O)c1ccc([O-])c(C)c1 ZINC000272366399 378622509 /nfs/dbraw/zinc/62/25/09/378622509.db2.gz CSHKNSMSPZBJKI-UHFFFAOYSA-N -1 3 289.400 3.467 20 0 CGADHM COc1cc(C(=O)N[C@H](C)[C@@H](C)c2ccccc2)ccc1[O-] ZINC000272615777 378678192 /nfs/dbraw/zinc/67/81/92/378678192.db2.gz PFTFBLIWWFXZLG-CHWSQXEVSA-N -1 3 299.370 3.323 20 0 CGADHM Cc1cc([C@@H](C)NCc2cnc(C)[n-]c2=O)cc(C)c1F ZINC000346798000 218017375 /nfs/dbraw/zinc/01/73/75/218017375.db2.gz PDGRYGDARVQYBA-LLVKDONJSA-N -1 3 289.354 3.097 20 0 CGADHM [O-]c1cc(F)cc(CN2CCc3ccsc3C2)c1 ZINC000274527815 378846365 /nfs/dbraw/zinc/84/63/65/378846365.db2.gz CRGUSDHXONTPHF-UHFFFAOYSA-N -1 3 263.337 3.151 20 0 CGADHM Cc1ccc(NC(=O)NCc2ncccc2[O-])cc1Cl ZINC000348454402 378957920 /nfs/dbraw/zinc/95/79/20/378957920.db2.gz YCJCEOGARNDQCW-UHFFFAOYSA-N -1 3 291.738 3.071 20 0 CGADHM COc1c2ccccc2[nH]c1C(=O)Nc1ccc(C)cc1[O-] ZINC000348503795 378970429 /nfs/dbraw/zinc/97/04/29/378970429.db2.gz CKDJNGRZIJHODV-UHFFFAOYSA-N -1 3 296.326 3.443 20 0 CGADHM COc1cc(C(=O)N2CCc3ccccc3[C@H]2C)ccc1[O-] ZINC000276902605 379017618 /nfs/dbraw/zinc/01/76/18/379017618.db2.gz JGTSDGFNQDQTCL-GFCCVEGCSA-N -1 3 297.354 3.160 20 0 CGADHM CC(C)C[C@H](CNCc1cccc(F)c1F)CC(=O)[O-] ZINC000277018778 379045559 /nfs/dbraw/zinc/04/55/59/379045559.db2.gz NZMHZVLPPIPJHP-NSHDSACASA-N -1 3 285.334 3.191 20 0 CGADHM C[C@@H]1CCN(Cc2ccc(C(=O)[O-])s2)CC1(C)C ZINC000568066003 322191753 /nfs/dbraw/zinc/19/17/53/322191753.db2.gz NCRHGHSGHMMLKC-SNVBAGLBSA-N -1 3 267.394 3.314 20 0 CGADHM COc1cccc(CN[C@@H](C(=O)[O-])c2cccc(C)c2C)c1 ZINC000277332731 379133527 /nfs/dbraw/zinc/13/35/27/379133527.db2.gz OJEUQVRGSXRTMU-QGZVFWFLSA-N -1 3 299.370 3.228 20 0 CGADHM CC(C)c1nnc(NC(=O)c2cc([O-])ccc2Cl)s1 ZINC000277268939 379115958 /nfs/dbraw/zinc/11/59/58/379115958.db2.gz BGGVLKYSUOEWHJ-UHFFFAOYSA-N -1 3 297.767 3.273 20 0 CGADHM Cc1cc(C(=O)N2CC[C@H](CC(F)(F)F)C2)ccc1[O-] ZINC000277672311 379212803 /nfs/dbraw/zinc/21/28/03/379212803.db2.gz SIBRGCWWWPWIPY-SNVBAGLBSA-N -1 3 287.281 3.115 20 0 CGADHM Cc1cccc(NC(=O)c2c[n-]nc2-c2ccncc2)c1C ZINC000349328323 379234361 /nfs/dbraw/zinc/23/43/61/379234361.db2.gz YGBDOLMGECXYOL-UHFFFAOYSA-N -1 3 292.342 3.341 20 0 CGADHM Cc1cccc(NC(=O)c2cn[n-]c2-c2ccncc2)c1C ZINC000349328323 379234369 /nfs/dbraw/zinc/23/43/69/379234369.db2.gz YGBDOLMGECXYOL-UHFFFAOYSA-N -1 3 292.342 3.341 20 0 CGADHM C[C@@H]1C[C@H]1c1noc(C(=O)[N-]c2ccc(Cl)c(F)c2)n1 ZINC000350407012 379543289 /nfs/dbraw/zinc/54/32/89/379543289.db2.gz MUZMTRPFBNTJBF-HTRCEHHLSA-N -1 3 295.701 3.238 20 0 CGADHM CCOCc1cccc(NC(=O)c2cc(C(F)F)[n-]n2)c1 ZINC000639645254 379524814 /nfs/dbraw/zinc/52/48/14/379524814.db2.gz GAROHOPBYQOGSJ-UHFFFAOYSA-N -1 3 295.289 3.136 20 0 CGADHM O=C(c1cc(C(F)F)[n-]n1)N1CC2(CC2)c2ccccc21 ZINC000639803394 379593922 /nfs/dbraw/zinc/59/39/22/379593922.db2.gz XUVQEWQSSLAFDY-UHFFFAOYSA-N -1 3 289.285 3.039 20 0 CGADHM [O-]c1ccccc1-c1nc(C2CCSCC2)no1 ZINC000350866275 379598577 /nfs/dbraw/zinc/59/85/77/379598577.db2.gz SRDZBKGQZCSSOA-UHFFFAOYSA-N -1 3 262.334 3.053 20 0 CGADHM CCc1ncsc1-c1nc(-c2ccc([O-])cc2)no1 ZINC000350568552 379561844 /nfs/dbraw/zinc/56/18/44/379561844.db2.gz ZYEXHHWTTMXBJY-UHFFFAOYSA-N -1 3 273.317 3.128 20 0 CGADHM CCS[C@@H](C)c1noc(Cc2ccc([O-])c(F)c2)n1 ZINC000351083943 379638822 /nfs/dbraw/zinc/63/88/22/379638822.db2.gz AFUQLUUAPXDABR-QMMMGPOBSA-N -1 3 282.340 3.319 20 0 CGADHM CC1=CCCN(C(=O)c2ccc(C(C)C)cc2[O-])C1 ZINC000280648475 379754920 /nfs/dbraw/zinc/75/49/20/379754920.db2.gz JMRHEQWLFVWRAG-UHFFFAOYSA-N -1 3 259.349 3.308 20 0 CGADHM C[C@H]1CC[C@]2(CCN(C(=O)c3cccc([O-])c3)C2)C1 ZINC000378619467 379847371 /nfs/dbraw/zinc/84/73/71/379847371.db2.gz FEDPBQVARYDUHM-LRDDRELGSA-N -1 3 259.349 3.045 20 0 CGADHM CCc1[nH]nc(NCc2cc([O-])cc(C(F)(F)F)c2)c1C ZINC000352811630 379975278 /nfs/dbraw/zinc/97/52/78/379975278.db2.gz TVHKNNAJWLVHQW-UHFFFAOYSA-N -1 3 299.296 3.039 20 0 CGADHM CC[C@]1(C)CCN([C@@H](C)c2ccc(C(=O)[O-])o2)C1 ZINC000399290222 379939755 /nfs/dbraw/zinc/93/97/55/379939755.db2.gz GSYYAETYEYFQOX-IINYFYTJSA-N -1 3 251.326 3.161 20 0 CGADHM COc1cccc(C(=O)N(C)C[C@H](C)C(C)(C)C)c1[O-] ZINC000399623344 379943182 /nfs/dbraw/zinc/94/31/82/379943182.db2.gz UIRXVMAOBNMASA-NSHDSACASA-N -1 3 279.380 3.155 20 0 CGADHM O=C([O-])[C@@H]1CC12CCN(Cc1cccc(C(F)F)c1)CC2 ZINC000405358827 379985091 /nfs/dbraw/zinc/98/50/91/379985091.db2.gz MLHLSFGHKIBKQC-ZDUSSCGKSA-N -1 3 295.329 3.311 20 0 CGADHM [O-]c1ccc(F)c(CN2CC[C@H]3CCC[C@H]32)c1F ZINC000352990250 380067287 /nfs/dbraw/zinc/06/72/87/380067287.db2.gz TTZBPBBNKFYUCD-BXKDBHETSA-N -1 3 253.292 3.045 20 0 CGADHM COC[C@H]1CCCCN(Cc2cccc([O-])c2Cl)C1 ZINC000352923847 380041810 /nfs/dbraw/zinc/04/18/10/380041810.db2.gz DIJXJLAMUXELGH-LBPRGKRZSA-N -1 3 283.799 3.294 20 0 CGADHM O=C(Nc1ccc(Br)cc1[O-])c1cccs1 ZINC000642323951 380163706 /nfs/dbraw/zinc/16/37/06/380163706.db2.gz GUYITGDGXKXIGW-UHFFFAOYSA-N -1 3 298.161 3.469 20 0 CGADHM CC(C)(CNCc1csc(Cl)c1Cl)C(=O)[O-] ZINC000414680805 380368654 /nfs/dbraw/zinc/36/86/54/380368654.db2.gz LOGHQQCBQHZUQW-UHFFFAOYSA-N -1 3 282.192 3.255 20 0 CGADHM Cc1cc(C(=O)NC[C@@H]2CCc3ccccc32)ccc1[O-] ZINC000354494186 380457962 /nfs/dbraw/zinc/45/79/62/380457962.db2.gz OEVSPQCEIWGZJL-HNNXBMFYSA-N -1 3 281.355 3.160 20 0 CGADHM CCc1cccc(C(=O)NC2(C(F)F)CCCC2)c1[O-] ZINC000644560109 380450767 /nfs/dbraw/zinc/45/07/67/380450767.db2.gz UUERJRZAVWBYPY-UHFFFAOYSA-N -1 3 283.318 3.262 20 0 CGADHM O=C(C[C@H]1C[C@H]1c1ccccc1)NCc1ccc([O-])c(F)c1 ZINC000354370436 380416177 /nfs/dbraw/zinc/41/61/77/380416177.db2.gz GNYWCSHDCNTBDR-CABCVRRESA-N -1 3 299.345 3.341 20 0 CGADHM CC(C)C[C@H](CNCc1ncc(C(C)C)s1)CC(=O)[O-] ZINC000417549227 380634886 /nfs/dbraw/zinc/63/48/86/380634886.db2.gz SITDEXKMLMEQBK-LBPRGKRZSA-N -1 3 298.452 3.493 20 0 CGADHM CC(C)(NCc1cc(Cl)sc1Cl)C(=O)[O-] ZINC000417567266 380639615 /nfs/dbraw/zinc/63/96/15/380639615.db2.gz AJPLHHLSAAOPNL-UHFFFAOYSA-N -1 3 268.165 3.008 20 0 CGADHM CC1(C)[C@H](NCc2cccc([O-])c2Cl)[C@H]2CCCO[C@@H]21 ZINC000645157058 380597750 /nfs/dbraw/zinc/59/77/50/380597750.db2.gz LXGGQNXIHUTCRM-DFBGVHRSSA-N -1 3 295.810 3.339 20 0 CGADHM CC1(C)[C@H](NCc2cccc([O-])c2Cl)[C@@H]2CCCO[C@H]21 ZINC000645157061 380598340 /nfs/dbraw/zinc/59/83/40/380598340.db2.gz LXGGQNXIHUTCRM-NILFDRSVSA-N -1 3 295.810 3.339 20 0 CGADHM Cc1ccc([O-])c(NC(=O)C[C@H]2C[C@H]2c2ccccc2)n1 ZINC000355512975 380694204 /nfs/dbraw/zinc/69/42/04/380694204.db2.gz YXKSJLQABANLGB-KGLIPLIRSA-N -1 3 282.343 3.228 20 0 CGADHM C[C@@H]1[C@@H](C)[C@H](C)CN1Cc1c(F)ccc([O-])c1F ZINC000418123740 380706169 /nfs/dbraw/zinc/70/61/69/380706169.db2.gz LQFKZUIBUYATEO-KXUCPTDWSA-N -1 3 255.308 3.147 20 0 CGADHM CCc1cccc(Cl)c1CN[C@H]1C=C[C@H](C(=O)[O-])C1 ZINC000417612164 380650437 /nfs/dbraw/zinc/65/04/37/380650437.db2.gz BPVSUQHHVXMVSL-RYUDHWBXSA-N -1 3 279.767 3.021 20 0 CGADHM C[C@H](NCc1cc(Cl)ccc1Cl)[C@H](C)C(=O)[O-] ZINC000417614535 380652314 /nfs/dbraw/zinc/65/23/14/380652314.db2.gz RZARJLOLFIZCOA-YUMQZZPRSA-N -1 3 276.163 3.192 20 0 CGADHM Cc1cc2cc(CN[C@@H]3C=C[C@H](C(=O)[O-])C3)oc2cc1C ZINC000417620341 380654569 /nfs/dbraw/zinc/65/45/69/380654569.db2.gz LJMBJGCUIWSJCI-GXTWGEPZSA-N -1 3 285.343 3.169 20 0 CGADHM O=C([O-])[C@H]1C=C[C@H](NCc2c(Cl)oc3ccccc32)C1 ZINC000417626906 380656382 /nfs/dbraw/zinc/65/63/82/380656382.db2.gz UEXOWFLTAFNUHG-UWVGGRQHSA-N -1 3 291.734 3.205 20 0 CGADHM C[C@@H](CC(C)(C)NCc1ccc(F)cc1Cl)C(=O)[O-] ZINC000417630910 380658106 /nfs/dbraw/zinc/65/81/06/380658106.db2.gz DETAORKPELCGCH-VIFPVBQESA-N -1 3 287.762 3.458 20 0 CGADHM C[C@@H](CC(C)(C)NCc1cc(Cl)ccc1F)C(=O)[O-] ZINC000417631016 380658368 /nfs/dbraw/zinc/65/83/68/380658368.db2.gz DLLLWRRZEYCIAZ-VIFPVBQESA-N -1 3 287.762 3.458 20 0 CGADHM Cc1cc(CN[C@H]2C[C@H](C(=O)[O-])c3ccccc32)cs1 ZINC000417634234 380659178 /nfs/dbraw/zinc/65/91/78/380659178.db2.gz VFLALHTVZPEPOW-GJZGRUSLSA-N -1 3 287.384 3.459 20 0 CGADHM CCC[C@@H](CCCCNCc1occc1C)C(=O)[O-] ZINC000417636595 380659370 /nfs/dbraw/zinc/65/93/70/380659370.db2.gz HCYIIHVQGKEWHT-ZDUSSCGKSA-N -1 3 267.369 3.349 20 0 CGADHM [O-]c1cccc(CN2CCC[C@H](n3ccnc3)C2)c1Cl ZINC000646071559 380821778 /nfs/dbraw/zinc/82/17/78/380821778.db2.gz SJOFZXQTLGWDEG-ZDUSSCGKSA-N -1 3 291.782 3.079 20 0 CGADHM Cc1ccc(C(=O)N2CCC[C@]3(CCSC3)C2)c([O-])c1 ZINC000334761785 207031617 /nfs/dbraw/zinc/03/16/17/207031617.db2.gz DSESQKGCTAIVTK-INIZCTEOSA-N -1 3 291.416 3.060 20 0 CGADHM CC(C)(C)[C@@H]([N-]C(=O)C(F)F)c1ccc(F)cc1F ZINC000279286312 194369255 /nfs/dbraw/zinc/36/92/55/194369255.db2.gz YGRVTAUFFIVOJO-JTQLQIEISA-N -1 3 277.261 3.433 20 0 CGADHM CCC[C@]1(C)CCCN(C(=O)c2cccc([O-])c2)C1 ZINC000357350582 381121150 /nfs/dbraw/zinc/12/11/50/381121150.db2.gz ABCCNHQVLWFTNU-MRXNPFEDSA-N -1 3 261.365 3.435 20 0 CGADHM CC1(C)CCC[C@H]1C(=O)Nc1cc(F)ccc1[O-] ZINC000357634561 381235057 /nfs/dbraw/zinc/23/50/57/381235057.db2.gz KIWSEXWRNAGIFE-JTQLQIEISA-N -1 3 251.301 3.296 20 0 CGADHM C[C@H]1CC[C@H](NC(=O)c2cc([O-])ccc2C(F)(F)F)C1 ZINC000334820272 207133633 /nfs/dbraw/zinc/13/36/33/207133633.db2.gz SDKHNGHIENNAFL-IUCAKERBSA-N -1 3 287.281 3.329 20 0 CGADHM Cc1ccc([O-])c(CNCc2ncoc2-c2ccccc2)n1 ZINC000360037492 381419576 /nfs/dbraw/zinc/41/95/76/381419576.db2.gz RHTHBOPPJXUZPH-UHFFFAOYSA-N -1 3 295.342 3.040 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCCCC23CCCC3)o1 ZINC000360419626 381539113 /nfs/dbraw/zinc/53/91/13/381539113.db2.gz JQFRAKPLPNVDGN-ZDUSSCGKSA-N -1 3 297.420 3.369 20 0 CGADHM CCSc1cccc(F)c1[N-]C(=O)c1cc(C)n(C)n1 ZINC000362190109 381904211 /nfs/dbraw/zinc/90/42/11/381904211.db2.gz ZAMOTVWVIQIOHE-UHFFFAOYSA-N -1 3 293.367 3.232 20 0 CGADHM Cc1ccc(-c2ccc(CN[C@@H](C)CC(=O)[O-])o2)cc1 ZINC000362346512 381949149 /nfs/dbraw/zinc/94/91/49/381949149.db2.gz MPUJWBZKRUSOHI-LBPRGKRZSA-N -1 3 273.332 3.208 20 0 CGADHM CCc1cc(C(=O)N2CCCCC[C@H]2C)ccc1[O-] ZINC000362850831 382132492 /nfs/dbraw/zinc/13/24/92/382132492.db2.gz CIABNLQLKCAKMJ-GFCCVEGCSA-N -1 3 261.365 3.359 20 0 CGADHM CCc1noc(C)c1NC(=O)c1ccc([O-])c(CC)c1 ZINC000362970120 382170241 /nfs/dbraw/zinc/17/02/41/382170241.db2.gz RNVLQEWOPUBJOK-UHFFFAOYSA-N -1 3 274.320 3.066 20 0 CGADHM Cc1ccccc1-n1nccc1C[N-]c1nc(C(C)C)no1 ZINC000280068553 194689986 /nfs/dbraw/zinc/68/99/86/194689986.db2.gz POQSJLQIAJRDTM-UHFFFAOYSA-N -1 3 297.362 3.299 20 0 CGADHM O=C(Nc1ccccc1[O-])c1ccc(C(F)(F)F)cn1 ZINC000335315634 208175537 /nfs/dbraw/zinc/17/55/37/208175537.db2.gz HFSNXBQAWIUWPW-UHFFFAOYSA-N -1 3 282.221 3.058 20 0 CGADHM CCc1ccc(C(=O)N2CC[C@]3(C)[C@H](C2)C3(F)F)c([O-])c1 ZINC000335334205 208217161 /nfs/dbraw/zinc/21/71/61/208217161.db2.gz YMOBTSQGACBPDG-DZGCQCFKSA-N -1 3 295.329 3.072 20 0 CGADHM Cc1cc(C(=O)Nc2cnn(-c3ccccc3)c2)ccc1[O-] ZINC000353888043 220390574 /nfs/dbraw/zinc/39/05/74/220390574.db2.gz OMCDGSAUECAJNW-UHFFFAOYSA-N -1 3 293.326 3.139 20 0 CGADHM O=C([O-])c1cccc(CN[C@H]2CCCc3occc32)c1 ZINC000263487697 304260526 /nfs/dbraw/zinc/26/05/26/304260526.db2.gz PXOCHWAVDICFKV-AWEZNQCLSA-N -1 3 271.316 3.145 20 0 CGADHM CO[C@H]1CCC[C@@H](CC(=O)Nc2cc(F)ccc2[O-])C1 ZINC000281203740 195148840 /nfs/dbraw/zinc/14/88/40/195148840.db2.gz NGTOAOVNCIPYPH-PWSUYJOCSA-N -1 3 281.327 3.065 20 0 CGADHM CCC[C@@H](CNC(=O)c1cc([O-])c2ccccc2c1)OC ZINC000295549208 542406630 /nfs/dbraw/zinc/40/66/30/542406630.db2.gz YMFFSIITWQQFQV-AWEZNQCLSA-N -1 3 287.359 3.090 20 0 CGADHM C[C@H]1SCC[C@@H]1NCc1cccc([O-])c1Cl ZINC000328196892 542442870 /nfs/dbraw/zinc/44/28/70/542442870.db2.gz FDJPEHXIPQPQSY-SCZZXKLOSA-N -1 3 257.786 3.029 20 0 CGADHM C[C@@H]1CCN(C(=O)[C@H]2CC23CC3)c2c([O-])cccc21 ZINC000335006691 542463556 /nfs/dbraw/zinc/46/35/56/542463556.db2.gz RNDCGUDWKATYKF-ZYHUDNBSSA-N -1 3 257.333 3.033 20 0 CGADHM O=C(Nc1cccc([O-])c1F)[C@@H]1CC[C@@H](C(F)(F)F)C1 ZINC000335413814 542468782 /nfs/dbraw/zinc/46/87/82/542468782.db2.gz HYZVWJKLSADYGD-HTQZYQBOSA-N -1 3 291.244 3.448 20 0 CGADHM CC(C)Oc1cccc(-c2nc3ccc(O)cc3c(=O)[n-]2)c1 ZINC000351861468 542551915 /nfs/dbraw/zinc/55/19/15/542551915.db2.gz LMYNUBCHNHOTIH-UHFFFAOYSA-N -1 3 296.326 3.495 20 0 CGADHM O=C(c1cc([O-])c2ccccc2c1)N1CCCCCO1 ZINC000355963060 542569171 /nfs/dbraw/zinc/56/91/71/542569171.db2.gz SNLMCOPGIRMNAN-UHFFFAOYSA-N -1 3 271.316 3.103 20 0 CGADHM [O-]c1ccc(-c2noc(-c3noc4c3CCCCC4)n2)cc1 ZINC000275715995 285383338 /nfs/dbraw/zinc/38/33/38/285383338.db2.gz SWKBXLBLTHGDAA-UHFFFAOYSA-N -1 3 297.314 3.366 20 0 CGADHM O=c1[n-]c(-c2cnc3c(F)cccc3c2)nc2cccnc21 ZINC000358850348 542578617 /nfs/dbraw/zinc/57/86/17/542578617.db2.gz SHVGNLCIRBEOPO-UHFFFAOYSA-N -1 3 292.273 3.085 20 0 CGADHM O=c1[n-]c(-c2ccncn2)nc2cc(Cl)c(Cl)cc21 ZINC000345344079 285399308 /nfs/dbraw/zinc/39/93/08/285399308.db2.gz LJPMWCKMESQALW-UHFFFAOYSA-N -1 3 293.113 3.099 20 0 CGADHM COc1cccc(C(=O)N[C@@H]2CCc3cc(C)ccc32)c1[O-] ZINC000436677494 533415882 /nfs/dbraw/zinc/41/58/82/533415882.db2.gz CVYGZIUKKUSXRM-OAHLLOKOSA-N -1 3 297.354 3.127 20 0 CGADHM COc1cc(C)cc(C(=O)Nc2ccc(F)c(F)c2)c1[O-] ZINC000436758841 533623970 /nfs/dbraw/zinc/62/39/70/533623970.db2.gz ZTUIJDMZNVMCOJ-UHFFFAOYSA-N -1 3 293.269 3.240 20 0 CGADHM O=C([O-])c1coc(CN2CCC(Cc3ccccc3)CC2)c1 ZINC000385969767 542603312 /nfs/dbraw/zinc/60/33/12/542603312.db2.gz ISSVROUIBPPZIM-UHFFFAOYSA-N -1 3 299.370 3.433 20 0 CGADHM CC(C)(NCc1cc([O-])ccc1Br)C(F)F ZINC000390237388 542609628 /nfs/dbraw/zinc/60/96/28/542609628.db2.gz GNGQTCHMIBXPIU-UHFFFAOYSA-N -1 3 294.139 3.288 20 0 CGADHM C[C@@H]1C[C@@H](CNC(=O)c2cc([O-])c3ccccc3c2)[C@@H](C)O1 ZINC000412666887 542632073 /nfs/dbraw/zinc/63/20/73/542632073.db2.gz ZAOYFGLARGUZMK-JMSVASOKSA-N -1 3 299.370 3.089 20 0 CGADHM C[C@@H]1C[C@H](CNC(=O)c2cc([O-])c3ccccc3c2)[C@@H](C)O1 ZINC000412666888 542632101 /nfs/dbraw/zinc/63/21/01/542632101.db2.gz ZAOYFGLARGUZMK-LALPHHSUSA-N -1 3 299.370 3.089 20 0 CGADHM CCC(CC)CN(CC)C(=O)c1cc(OC)ccc1[O-] ZINC000047910598 391990142 /nfs/dbraw/zinc/99/01/42/391990142.db2.gz STJOHDXUEQYMAL-UHFFFAOYSA-N -1 3 279.380 3.299 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-]c2cccc(F)c2F)c(C)c1 ZINC000049375364 392044673 /nfs/dbraw/zinc/04/46/73/392044673.db2.gz BYEGWBQRJVNNPP-UHFFFAOYSA-N -1 3 297.326 3.382 20 0 CGADHM COc1ccc([O-])c(C(=O)Nc2ccc(SC)cc2)c1 ZINC000050279537 392062737 /nfs/dbraw/zinc/06/27/37/392062737.db2.gz QTZHCIVFOMRRKN-UHFFFAOYSA-N -1 3 289.356 3.375 20 0 CGADHM CCCc1nc(C[S@](=O)c2ccc([O-])cc2)cs1 ZINC000108087005 392335882 /nfs/dbraw/zinc/33/58/82/392335882.db2.gz KVDNSNRGUQZZLS-GOSISDBHSA-N -1 3 281.402 3.109 20 0 CGADHM O=c1[n-]c(-c2cccc(Cl)c2)nc2ccc(O)cc12 ZINC000436926136 542658917 /nfs/dbraw/zinc/65/89/17/542658917.db2.gz KLMQDNOPSHWBMA-UHFFFAOYSA-N -1 3 272.691 3.361 20 0 CGADHM Cc1cccc(CCNC(=O)c2ccc(C(C)C)cc2[O-])n1 ZINC000436981343 542659104 /nfs/dbraw/zinc/65/91/04/542659104.db2.gz BXYQRCAKBPYQKR-UHFFFAOYSA-N -1 3 298.386 3.192 20 0 CGADHM O=C([O-])[C@H]1CC[C@H](CNCc2ccc(F)cc2Cl)CC1 ZINC000253109378 131141629 /nfs/dbraw/zinc/14/16/29/131141629.db2.gz CRGJWUQKIXSEFY-XYPYZODXSA-N -1 3 299.773 3.460 20 0 CGADHM CCCC[C@H](NCc1cc(Cl)cc2c1OCC2)C(=O)[O-] ZINC000262707227 131253252 /nfs/dbraw/zinc/25/32/52/131253252.db2.gz NLQPDSIUQZQMDJ-ZDUSSCGKSA-N -1 3 297.782 3.008 20 0 CGADHM CC(C)c1cccc([N-]S(=O)(=O)C[C@@H]2CCCCO2)c1 ZINC000110096761 392378481 /nfs/dbraw/zinc/37/84/81/392378481.db2.gz DJBFELDMAIPEQL-HNNXBMFYSA-N -1 3 297.420 3.121 20 0 CGADHM O=C(NCC1CC(F)(F)C1)c1cc([O-])c2ccccc2c1 ZINC000294065182 392531274 /nfs/dbraw/zinc/53/12/74/392531274.db2.gz HDJAOUOEMRZMBT-UHFFFAOYSA-N -1 3 291.297 3.321 20 0 CGADHM O[C@@H]1CCCC[C@H]1[N-]c1nc(-c2cccc(Cl)c2)no1 ZINC000301398592 392589020 /nfs/dbraw/zinc/58/90/20/392589020.db2.gz HMZBDJKTRAPWSC-VXGBXAGGSA-N -1 3 293.754 3.105 20 0 CGADHM Cc1cccc(C(=O)N2CCCC[C@H]2c2cccn2C)c1[O-] ZINC000173549504 392627091 /nfs/dbraw/zinc/62/70/91/392627091.db2.gz VDKDJHHECCACIC-INIZCTEOSA-N -1 3 298.386 3.407 20 0 CGADHM C[C@H]1CC2(CCC2)CN1C(=O)Cc1ccc([O-])cc1Cl ZINC000372894471 392643841 /nfs/dbraw/zinc/64/38/41/392643841.db2.gz ZORAKSQHLQEZDN-NSHDSACASA-N -1 3 293.794 3.379 20 0 CGADHM Cc1ccc([C@H](C)N(C)C(=O)/C=C/c2cncc([O-])c2)cc1 ZINC000181871595 392737169 /nfs/dbraw/zinc/73/71/69/392737169.db2.gz DAYBEEURZIWDNN-MRZGDXHCSA-N -1 3 296.370 3.328 20 0 CGADHM Cc1cccc([O-])c1NC(=O)[C@H](C)CC(F)(F)F ZINC000457707036 392742171 /nfs/dbraw/zinc/74/21/71/392742171.db2.gz JYFOMPDCXHKMDZ-MRVPVSSYSA-N -1 3 261.243 3.228 20 0 CGADHM O=C(c1cccc([O-])c1)N1CC[C@](F)(c2ccccc2)C1 ZINC000374791057 392703036 /nfs/dbraw/zinc/70/30/36/392703036.db2.gz DDCZNWXOMXPOLO-QGZVFWFLSA-N -1 3 285.318 3.103 20 0 CGADHM C[C@H]1CCN(C(=O)c2ccco2)c2c([O-])cccc21 ZINC000186286807 392779828 /nfs/dbraw/zinc/77/98/28/392779828.db2.gz MQLUEZLXPJRYOZ-JTQLQIEISA-N -1 3 257.289 3.139 20 0 CGADHM [O-]c1ccc(F)c(CNCC2Cc3ccccc3C2)c1F ZINC000511072001 392826191 /nfs/dbraw/zinc/82/61/91/392826191.db2.gz CLCMZAKWQICHCG-UHFFFAOYSA-N -1 3 289.325 3.175 20 0 CGADHM Cc1cc(C)c(C(=O)Nc2ccc(Cl)cc2[O-])c(=O)[nH]1 ZINC000336470006 392858103 /nfs/dbraw/zinc/85/81/03/392858103.db2.gz JVUQTGMCVUDCBA-UHFFFAOYSA-N -1 3 292.722 3.015 20 0 CGADHM CC[C@@H]1CCN(Cc2cccc(C(=O)[O-])c2Cl)C1 ZINC000381981769 392916736 /nfs/dbraw/zinc/91/67/36/392916736.db2.gz WQJSGLHKIFVGTD-SNVBAGLBSA-N -1 3 267.756 3.270 20 0 CGADHM CCC1CCC(c2nc3cccnc3c(=O)[n-]2)CC1 ZINC000491533458 542717452 /nfs/dbraw/zinc/71/74/52/542717452.db2.gz RUTSMXSYLTYSJD-UHFFFAOYSA-N -1 3 257.337 3.414 20 0 CGADHM O=c1[n-]c(Cc2cccc(Cl)c2F)nc2cccnc12 ZINC000491722237 542718080 /nfs/dbraw/zinc/71/80/80/542718080.db2.gz XHKYMDYMHPCNAW-UHFFFAOYSA-N -1 3 289.697 3.114 20 0 CGADHM C[C@H]1CCC[C@H]1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000504332289 542726594 /nfs/dbraw/zinc/72/65/94/542726594.db2.gz PWEJYSPYJPSUHI-XHDPSFHLSA-N -1 3 269.344 3.464 20 0 CGADHM CCCC[C@H](NC(=O)c1cccc2nn[n-]c21)C1CCC1 ZINC000525865711 392950045 /nfs/dbraw/zinc/95/00/45/392950045.db2.gz YAOJBCCFUOSUCQ-ZDUSSCGKSA-N -1 3 286.379 3.047 20 0 CGADHM CCCC[C@H](NC(=O)c1cccc2[n-]nnc21)C1CCC1 ZINC000525865711 392950047 /nfs/dbraw/zinc/95/00/47/392950047.db2.gz YAOJBCCFUOSUCQ-ZDUSSCGKSA-N -1 3 286.379 3.047 20 0 CGADHM CCCC[C@H](NC(=O)c1cccc2n[n-]nc21)C1CCC1 ZINC000525865711 392950050 /nfs/dbraw/zinc/95/00/50/392950050.db2.gz YAOJBCCFUOSUCQ-ZDUSSCGKSA-N -1 3 286.379 3.047 20 0 CGADHM CCc1ccc([O-])c(C(=O)N([C@@H](C)C2CC2)C2CC2)c1 ZINC000546706618 393068070 /nfs/dbraw/zinc/06/80/70/393068070.db2.gz NSPFQQMNIFYLDP-NSHDSACASA-N -1 3 273.376 3.358 20 0 CGADHM CC[C@H](C)CN(C)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000469101064 393176908 /nfs/dbraw/zinc/17/69/08/393176908.db2.gz YLYPHUSEIMAZLS-LBPRGKRZSA-N -1 3 281.371 3.359 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)[C@@H]2C[C@]2(C)C(C)C)c1-c1ccccc1 ZINC000547533940 393129746 /nfs/dbraw/zinc/12/97/46/393129746.db2.gz OCAPEEWVHWKXQR-KBXCAEBGSA-N -1 3 297.402 3.428 20 0 CGADHM COc1ccc(NC(=O)[C@H]2CC3CCC2CC3)c([O-])c1 ZINC000349209470 393141461 /nfs/dbraw/zinc/14/14/61/393141461.db2.gz PTLZYLHGDSDHAX-XIVSLSHWSA-N -1 3 275.348 3.166 20 0 CGADHM C[C@@H]1[C@@H](C(F)(F)F)CCN1Cc1c(F)ccc([O-])c1F ZINC000353256698 393217352 /nfs/dbraw/zinc/21/73/52/393217352.db2.gz IUHRNTCHLVZKCR-APPZFPTMSA-N -1 3 295.251 3.443 20 0 CGADHM C[C@H]1CCN(C(=O)CCCc2ccc([O-])c(F)c2)C[C@H]1C ZINC000469823184 393218655 /nfs/dbraw/zinc/21/86/55/393218655.db2.gz UWLOWFZQUANWHU-QWHCGFSZSA-N -1 3 293.382 3.359 20 0 CGADHM COc1ccc([O-])c(C(=O)N2CCCC[C@H]2C2CCC2)c1 ZINC000648705962 393214808 /nfs/dbraw/zinc/21/48/08/393214808.db2.gz VZOMDFPKRIEMCV-HNNXBMFYSA-N -1 3 289.375 3.196 20 0 CGADHM Cc1nc(C(=O)[N-]c2cc(F)cc(F)c2F)sc1C ZINC000647066211 393335548 /nfs/dbraw/zinc/33/55/48/393335548.db2.gz LHYIZRQCIJIOSX-UHFFFAOYSA-N -1 3 286.278 3.430 20 0 CGADHM CC(C)CCSCc1cc(=O)[n-]c(C2CC2)n1 ZINC000419395496 393371135 /nfs/dbraw/zinc/37/11/35/393371135.db2.gz UQGKISOYSGAJCE-UHFFFAOYSA-N -1 3 252.383 3.339 20 0 CGADHM CC[C@@H](CC(C)C)C(=O)N=c1[nH][n-]c(C(C)C)c1C ZINC000649229354 393378056 /nfs/dbraw/zinc/37/80/56/393378056.db2.gz XVBYOMCZHDURJL-LBPRGKRZSA-N -1 3 265.401 3.274 20 0 CGADHM CCc1ccsc1C(=O)N=c1[nH][n-]c(C(C)C)c1C ZINC000649232926 393380560 /nfs/dbraw/zinc/38/05/60/393380560.db2.gz WAAKQYVDGIUIRA-UHFFFAOYSA-N -1 3 277.393 3.140 20 0 CGADHM Cc1cccc2c1ncc(C)c2N1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC000649404861 393412624 /nfs/dbraw/zinc/41/26/24/393412624.db2.gz XUXOCOQCGWZZMK-KBPBESRZSA-N -1 3 298.386 3.399 20 0 CGADHM Cc1nc2ccccc2c(N2CC[C@H](C(=O)[O-])[C@@H]2C)c1C ZINC000649406963 393414371 /nfs/dbraw/zinc/41/43/71/393414371.db2.gz KDCGULRJDWXRPJ-STQMWFEESA-N -1 3 284.359 3.151 20 0 CGADHM CSc1cc(C(=O)[N-]c2nnc(C3CC3)s2)c(C)o1 ZINC000666727895 542810696 /nfs/dbraw/zinc/81/06/96/542810696.db2.gz XSPCSOUUPBNDLZ-UHFFFAOYSA-N -1 3 295.389 3.291 20 0 CGADHM C[C@H](c1ncc(-c2ccccc2)o1)N(C)CCCC(=O)[O-] ZINC000430677785 393585166 /nfs/dbraw/zinc/58/51/66/393585166.db2.gz KYSANTCYMKOEOA-GFCCVEGCSA-N -1 3 288.347 3.199 20 0 CGADHM O=C(/C=C\c1cncc([O-])c1)Nc1ccc2scnc2c1 ZINC000492447425 393735441 /nfs/dbraw/zinc/73/54/41/393735441.db2.gz VOCQHBGKWVGMJT-RJRFIUFISA-N -1 3 297.339 3.049 20 0 CGADHM C[C@H](CN(C)C(=O)/C=C\c1cncc([O-])c1)c1ccccc1 ZINC000492518241 393748283 /nfs/dbraw/zinc/74/82/83/393748283.db2.gz GKWIFYLVOIGQML-QIAWRQBBSA-N -1 3 296.370 3.063 20 0 CGADHM Cc1cc(C(=O)Nc2cccc3c2OCCC3)ccc1[O-] ZINC000500288563 393823416 /nfs/dbraw/zinc/82/34/16/393823416.db2.gz OCUUAVJXKFPZQL-UHFFFAOYSA-N -1 3 283.327 3.278 20 0 CGADHM Cc1cc(C)c2c(c1)CN([C@H](C)c1nc(C)cc(=O)[n-]1)CC2 ZINC000447884827 393866910 /nfs/dbraw/zinc/86/69/10/393866910.db2.gz ZYOWYULKYXLQSE-CQSZACIVSA-N -1 3 297.402 3.227 20 0 CGADHM Cc1ccc([O-])c(C(=O)NC2CC(c3ccccc3)C2)c1 ZINC000500951410 393843403 /nfs/dbraw/zinc/84/34/03/393843403.db2.gz FZSMTMJJUWOSQQ-UHFFFAOYSA-N -1 3 281.355 3.377 20 0 CGADHM Cc1ccc(-c2nnc(NC(=O)C(C)(C)C3CCC3)[n-]2)o1 ZINC000450141934 393984990 /nfs/dbraw/zinc/98/49/90/393984990.db2.gz UOQZMTFWEKHBRC-UHFFFAOYSA-N -1 3 288.351 3.138 20 0 CGADHM Cc1ccc(-c2n[n-]c(NC(=O)C(C)(C)C3CCC3)n2)o1 ZINC000450141934 393984994 /nfs/dbraw/zinc/98/49/94/393984994.db2.gz UOQZMTFWEKHBRC-UHFFFAOYSA-N -1 3 288.351 3.138 20 0 CGADHM Cc1ccc(-c2nc(NC(=O)C(C)(C)C3CCC3)n[n-]2)o1 ZINC000450141934 393984998 /nfs/dbraw/zinc/98/49/98/393984998.db2.gz UOQZMTFWEKHBRC-UHFFFAOYSA-N -1 3 288.351 3.138 20 0 CGADHM COc1ccc(C(=O)N(C(C)C)C2CC(C)(C)C2)c([O-])c1 ZINC000457069590 394316322 /nfs/dbraw/zinc/31/63/22/394316322.db2.gz HULZHKRACVZBRP-UHFFFAOYSA-N -1 3 291.391 3.440 20 0 CGADHM CC[C@@H]1CCCN1C(=O)c1cc(SC)ccc1[O-] ZINC000668086250 542967312 /nfs/dbraw/zinc/96/73/12/542967312.db2.gz DWPGBRWNVQXFPL-SNVBAGLBSA-N -1 3 265.378 3.129 20 0 CGADHM Cc1ccc(C(=O)N2CC3(CCC3)[C@H]2C2CC2)c([O-])c1 ZINC000291844004 292049886 /nfs/dbraw/zinc/04/98/86/292049886.db2.gz FDOFLBYOFKDFHO-OAHLLOKOSA-N -1 3 271.360 3.105 20 0 CGADHM [O-]c1cccc(CN2CCC(c3ccon3)CC2)c1Cl ZINC000668717374 543050891 /nfs/dbraw/zinc/05/08/91/543050891.db2.gz ABLSDALNZFYYPN-UHFFFAOYSA-N -1 3 292.766 3.413 20 0 CGADHM Cc1ccc(F)c(S(=O)(=O)[N-][C@H](C)c2ccsc2)c1 ZINC000669844520 543127125 /nfs/dbraw/zinc/12/71/25/543127125.db2.gz VAAKHUDJTPULFU-SNVBAGLBSA-N -1 3 299.392 3.235 20 0 CGADHM CC(C)(C)C[C@@H](CC(=O)[O-])NCc1nc2c(s1)CCC2 ZINC000671162884 543161795 /nfs/dbraw/zinc/16/17/95/543161795.db2.gz VVZICPPBVQSNMS-SNVBAGLBSA-N -1 3 296.436 3.001 20 0 CGADHM O=C(c1ccccc1[O-])N1CCSC12CCCCC2 ZINC000673448147 543242025 /nfs/dbraw/zinc/24/20/25/543242025.db2.gz FSGBXZGVPMTRDI-UHFFFAOYSA-N -1 3 277.389 3.242 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCc3ccccc3[C@H](C)C2)n1 ZINC000649836031 397735232 /nfs/dbraw/zinc/73/52/32/397735232.db2.gz YJZDZWVHEATDLN-TZMCWYRMSA-N -1 3 297.402 3.213 20 0 CGADHM CC(C)c1ccc(C(=O)N[C@@H](C)C[C@@H]2CCOC2)c([O-])c1 ZINC000675416092 543337949 /nfs/dbraw/zinc/33/79/49/543337949.db2.gz NQDJTKPGYJWUNV-STQMWFEESA-N -1 3 291.391 3.061 20 0 CGADHM O=C([N-]c1nncs1)c1ccc(-c2ccco2)s1 ZINC000675746837 543360026 /nfs/dbraw/zinc/36/00/26/543360026.db2.gz WGAGEPHCGNFINN-UHFFFAOYSA-N -1 3 277.330 3.112 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CCSC[C@H]2C2CCC2)c1 ZINC000416101902 292163387 /nfs/dbraw/zinc/16/33/87/292163387.db2.gz BHGNQGOVZFFHTD-AWEZNQCLSA-N -1 3 291.416 3.058 20 0 CGADHM Cc1nc([N-]C(=O)c2ncoc2-c2ccccc2)cs1 ZINC000677929021 543473911 /nfs/dbraw/zinc/47/39/11/543473911.db2.gz HXDNXOUMXDYUIK-UHFFFAOYSA-N -1 3 285.328 3.359 20 0 CGADHM Cc1ccc([O-])c(CN2CC[C@H]2c2cccc(F)c2)n1 ZINC000678283731 543511646 /nfs/dbraw/zinc/51/16/46/543511646.db2.gz QLRRXLDAFCLORP-HNNXBMFYSA-N -1 3 272.323 3.182 20 0 CGADHM Cc1ccc(C(=O)N2CC[C@@H]2c2cccc(F)c2)c([O-])c1 ZINC000678313677 543514150 /nfs/dbraw/zinc/51/41/50/543514150.db2.gz BXRCTXCSPCGZHA-OAHLLOKOSA-N -1 3 285.318 3.427 20 0 CGADHM Cc1ccc(C(=O)N2CC[C@H]2c2cccc(F)c2)c([O-])c1 ZINC000678313674 543514180 /nfs/dbraw/zinc/51/41/80/543514180.db2.gz BXRCTXCSPCGZHA-HNNXBMFYSA-N -1 3 285.318 3.427 20 0 CGADHM CCc1nc(C[N-]c2nc(-c3ccccc3)no2)cs1 ZINC000678996919 543580919 /nfs/dbraw/zinc/58/09/19/543580919.db2.gz GJIWDJPIWULHMA-UHFFFAOYSA-N -1 3 286.360 3.368 20 0 CGADHM CO[C@](C)(C(=O)Nc1ccc(C)cc1[O-])c1ccccc1 ZINC000122539210 286139434 /nfs/dbraw/zinc/13/94/34/286139434.db2.gz AJPJRCZNZHAFLD-KRWDZBQOSA-N -1 3 285.343 3.201 20 0 CGADHM COc1cc(C(=O)N2CCC3(C2)CCCCC3)ccc1[O-] ZINC000335976832 286193486 /nfs/dbraw/zinc/19/34/86/286193486.db2.gz YHILCSSXTIYGHW-UHFFFAOYSA-N -1 3 289.375 3.197 20 0 CGADHM Cc1ccc2[n-]cc(C(=O)N3CCCC[C@@H]3C)c(=O)c2c1 ZINC000273313706 292394311 /nfs/dbraw/zinc/39/43/11/292394311.db2.gz XJHDKDWMACAAHX-LBPRGKRZSA-N -1 3 284.359 3.263 20 0 CGADHM Cc1cccc(C(=O)NC2(c3ccc(F)cc3)CC2)c1[O-] ZINC000436570295 292424851 /nfs/dbraw/zinc/42/48/51/292424851.db2.gz ONCILBUQFTZBET-UHFFFAOYSA-N -1 3 285.318 3.259 20 0 CGADHM Cc1cccc(C(=O)NC2(c3ccccc3)CC2)c1[O-] ZINC000436710649 292424960 /nfs/dbraw/zinc/42/49/60/292424960.db2.gz XCGWDBYUIIEIJT-UHFFFAOYSA-N -1 3 267.328 3.120 20 0 CGADHM Cc1cccc(C(=O)N[C@H]2c3ccccc3C[C@@H]2C)c1[O-] ZINC000436843347 292428557 /nfs/dbraw/zinc/42/85/57/292428557.db2.gz ZZDFSZRETWVIRE-BLLLJJGKSA-N -1 3 281.355 3.364 20 0 CGADHM COc1cc(F)ccc1NC(=O)c1cccc(C)c1[O-] ZINC000042356439 286894011 /nfs/dbraw/zinc/89/40/11/286894011.db2.gz GYGIXZHGUBDVJS-UHFFFAOYSA-N -1 3 275.279 3.101 20 0 CGADHM CC(C)OCCCNC(=O)c1ccc(C(C)C)cc1[O-] ZINC000048401928 286904732 /nfs/dbraw/zinc/90/47/32/286904732.db2.gz APKIRDCZZBXXIH-UHFFFAOYSA-N -1 3 279.380 3.061 20 0 CGADHM Cc1ccc(NC(=O)NCc2ccc([O-])c(F)c2)s1 ZINC000075418309 287024803 /nfs/dbraw/zinc/02/48/03/287024803.db2.gz OZOSVJCSKMONRO-UHFFFAOYSA-N -1 3 280.324 3.223 20 0 CGADHM COc1ccc([C@@H](C)NC(=O)c2cccc(C)c2[O-])cc1 ZINC000080399402 287065288 /nfs/dbraw/zinc/06/52/88/287065288.db2.gz LFVNMFHTVWWTGM-GFCCVEGCSA-N -1 3 285.343 3.200 20 0 CGADHM [O-]c1ccccc1-c1nc(C2Cc3ccccc3C2)no1 ZINC000088043591 287085708 /nfs/dbraw/zinc/08/57/08/287085708.db2.gz IRJXVFPLGSSHGQ-UHFFFAOYSA-N -1 3 278.311 3.325 20 0 CGADHM C[C@H](CCC[C@H](C)C(=O)[O-])NCc1cc(F)ccc1F ZINC000087679352 165189944 /nfs/dbraw/zinc/18/99/44/165189944.db2.gz OTEPXWKRPWGDEF-WDEREUQCSA-N -1 3 285.334 3.334 20 0 CGADHM CC(C)c1cc(C(=O)N(C)[C@@H](C)CO)c([O-])c(C(C)C)c1 ZINC000093244877 165326030 /nfs/dbraw/zinc/32/60/30/165326030.db2.gz WYAFERGNFFIVNJ-LBPRGKRZSA-N -1 3 293.407 3.092 20 0 CGADHM CCc1nc([C@H](C)NC(=O)c2cccc(C)c2[O-])cs1 ZINC000110496723 287131664 /nfs/dbraw/zinc/13/16/64/287131664.db2.gz RYEXNPDHOXOHFY-JTQLQIEISA-N -1 3 290.388 3.211 20 0 CGADHM Cc1ccc(-c2nc(Cc3ccccc3F)no2)c([O-])c1 ZINC000111689141 287136518 /nfs/dbraw/zinc/13/65/18/287136518.db2.gz NKDYAULSXXOFJI-UHFFFAOYSA-N -1 3 284.290 3.481 20 0 CGADHM Cc1ccc([O-])c(-c2nc(Cc3ccccc3F)no2)c1 ZINC000111689144 287136584 /nfs/dbraw/zinc/13/65/84/287136584.db2.gz NGHQKDURNWETEU-UHFFFAOYSA-N -1 3 284.290 3.481 20 0 CGADHM Cc1ccc(NC(=O)[C@@H](C)c2ccccc2)c([O-])c1 ZINC000119097816 287164862 /nfs/dbraw/zinc/16/48/62/287164862.db2.gz PHBWOWTXNWKNGS-LBPRGKRZSA-N -1 3 255.317 3.443 20 0 CGADHM CCN(C(=O)c1cccc(C)c1[O-])c1ccccc1 ZINC000019839404 170888087 /nfs/dbraw/zinc/88/80/87/170888087.db2.gz RPXXLGLHTUDTCR-UHFFFAOYSA-N -1 3 255.317 3.367 20 0 CGADHM CC(C)[C@H](NCc1csc(-c2ccsc2)n1)C(=O)[O-] ZINC000035391289 172175188 /nfs/dbraw/zinc/17/51/88/172175188.db2.gz HEONCPFZSQZIAW-NSHDSACASA-N -1 3 296.417 3.070 20 0 CGADHM O=C([O-])C[C@H]1CCCCN1Cc1cccc(Cl)c1 ZINC000038027682 174014336 /nfs/dbraw/zinc/01/43/36/174014336.db2.gz IRURWYPLCQBJPR-CYBMUJFWSA-N -1 3 267.756 3.169 20 0 CGADHM Cc1cccc([O-])c1NC(=O)[C@@H]1CC12CCSCC2 ZINC000336186683 292571255 /nfs/dbraw/zinc/57/12/55/292571255.db2.gz RYOUQTQEKHLLQF-NSHDSACASA-N -1 3 277.389 3.172 20 0 CGADHM Cc1cccc(COc2ccc3c([O-])coc3c2)c1 ZINC000057524073 416483205 /nfs/dbraw/zinc/48/32/05/416483205.db2.gz YOTITYVWOUNNAG-UHFFFAOYSA-N -1 3 254.285 3.149 20 0 CGADHM COc1cc(CC(=O)Nc2cccc([O-])c2F)ccc1C ZINC000129465287 287332553 /nfs/dbraw/zinc/33/25/53/287332553.db2.gz JQTVJIYJLXEEHR-UHFFFAOYSA-N -1 3 289.306 3.030 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2nnc(C(C)(C)C)s2)c1 ZINC000048748792 416459685 /nfs/dbraw/zinc/45/96/85/416459685.db2.gz YZIOOUNCSRPGFG-UHFFFAOYSA-N -1 3 291.376 3.102 20 0 CGADHM C[C@H]1CN(Cc2cccc(C(F)F)c2)CC[C@H]1C(=O)[O-] ZINC000312825391 416533690 /nfs/dbraw/zinc/53/36/90/416533690.db2.gz JIOMNVAJPVYTDR-GXFFZTMASA-N -1 3 283.318 3.167 20 0 CGADHM C[C@H]1CN(C(=O)c2ccccc2[O-])CCc2ccccc21 ZINC000404806272 416555814 /nfs/dbraw/zinc/55/58/14/416555814.db2.gz YONBGMZGGJKONQ-ZDUSSCGKSA-N -1 3 281.355 3.194 20 0 CGADHM CCC(CC)n1nccc1C(=O)Nc1cc(F)ccc1[O-] ZINC000129615386 287336265 /nfs/dbraw/zinc/33/62/65/287336265.db2.gz JQPJFPORDXNUML-UHFFFAOYSA-N -1 3 291.326 3.341 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2C[C@@H](C)c3ccccc32)c1 ZINC000130004093 287342881 /nfs/dbraw/zinc/34/28/81/287342881.db2.gz MNGIFBUUHLRKFF-GFCCVEGCSA-N -1 3 267.328 3.465 20 0 CGADHM CCN(CCC(F)(F)F)C(=O)c1ccc([O-])c(C)c1 ZINC000679407574 543636319 /nfs/dbraw/zinc/63/63/19/543636319.db2.gz POPNDYHXJDFEHK-UHFFFAOYSA-N -1 3 275.270 3.115 20 0 CGADHM O=C(c1cccc([O-])c1)N(C1CC1)C1CCCCC1 ZINC000679634417 543652426 /nfs/dbraw/zinc/65/24/26/543652426.db2.gz ZITHFLISYGUDBW-UHFFFAOYSA-N -1 3 259.349 3.330 20 0 CGADHM O=C(Nc1nc2ccccc2n1C1CC1)c1cccc([O-])c1 ZINC000679642564 543653271 /nfs/dbraw/zinc/65/32/71/543653271.db2.gz AEHXPRNEEBFNFL-UHFFFAOYSA-N -1 3 293.326 3.329 20 0 CGADHM COc1ccc(NC(=O)Cc2cc3ccccc3o2)c([O-])c1 ZINC000682364934 543836969 /nfs/dbraw/zinc/83/69/69/543836969.db2.gz NEMSVWQKIWHKBE-UHFFFAOYSA-N -1 3 297.310 3.328 20 0 CGADHM CCc1cccc(C(=O)N(CC)C[C@@H](C)CC)c1[O-] ZINC000131148537 287372072 /nfs/dbraw/zinc/37/20/72/287372072.db2.gz SCWNRKTUPRTRIF-LBPRGKRZSA-N -1 3 263.381 3.463 20 0 CGADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCC[C@@H]1C1CC1 ZINC000682491867 543848570 /nfs/dbraw/zinc/84/85/70/543848570.db2.gz QNVGKKBMNZFXTO-OAHLLOKOSA-N -1 3 291.366 3.255 20 0 CGADHM CCc1ccc(C(=O)Nc2cnccc2SC)c([O-])c1 ZINC000682509171 543849748 /nfs/dbraw/zinc/84/97/48/543849748.db2.gz DDXLTAIBNWOKEZ-UHFFFAOYSA-N -1 3 288.372 3.324 20 0 CGADHM O=C([N-]c1cnoc1)c1cc(F)c(C(F)(F)F)c(F)c1 ZINC000683198267 543902549 /nfs/dbraw/zinc/90/25/49/543902549.db2.gz WXJZQCSHEMNUPW-UHFFFAOYSA-N -1 3 292.163 3.224 20 0 CGADHM Cc1nc(C(=O)Nc2ccc(C)cc2[O-])sc1C ZINC000683532487 543921431 /nfs/dbraw/zinc/92/14/31/543921431.db2.gz FHMUYWLPBUPGPB-UHFFFAOYSA-N -1 3 262.334 3.026 20 0 CGADHM Cc1nc(C(=O)[N-]c2cc(F)c(F)cc2F)sc1C ZINC000683619870 543929767 /nfs/dbraw/zinc/92/97/67/543929767.db2.gz OQYPVQIZJARTGJ-UHFFFAOYSA-N -1 3 286.278 3.430 20 0 CGADHM CCOc1cc(-c2noc(CCC(F)F)n2)ccc1[O-] ZINC000685363875 544063537 /nfs/dbraw/zinc/06/35/37/544063537.db2.gz XZVRKWOQYANTLH-UHFFFAOYSA-N -1 3 284.262 3.039 20 0 CGADHM C[C@@H](NC(=O)c1c[n-]nc1-c1ccccn1)c1ccsc1 ZINC000685845996 544100946 /nfs/dbraw/zinc/10/09/46/544100946.db2.gz MOUBXLVYWBDJOS-SNVBAGLBSA-N -1 3 298.371 3.024 20 0 CGADHM C[C@@H]1CC[C@H](NC(=O)c2c[n-]nc2-c2ccccn2)C[C@H]1C ZINC000685825571 544098643 /nfs/dbraw/zinc/09/86/43/544098643.db2.gz IIUCPUPAHNQQFQ-UPJWGTAASA-N -1 3 298.390 3.026 20 0 CGADHM COCCc1ccccc1NC(=O)c1cccc(C)c1[O-] ZINC000191704724 227133300 /nfs/dbraw/zinc/13/33/00/227133300.db2.gz VOYMDDQEAQSPOA-UHFFFAOYSA-N -1 3 285.343 3.142 20 0 CGADHM O=C([O-])[C@H](c1ccsc1)N1CCCc2sccc2C1 ZINC000652410986 418965280 /nfs/dbraw/zinc/96/52/80/418965280.db2.gz PVHBBZQWKHUSRR-ZDUSSCGKSA-N -1 3 293.413 3.384 20 0 CGADHM CC(C)c1cccc2c1CCN(CCCCC(=O)[O-])C2 ZINC000652445220 418968448 /nfs/dbraw/zinc/96/84/48/418968448.db2.gz LXUWUEIJLXNOJO-UHFFFAOYSA-N -1 3 275.392 3.423 20 0 CGADHM COc1ccc(Cl)c(CN(CCC(=O)[O-])C(C)C)c1 ZINC000652478747 418972744 /nfs/dbraw/zinc/97/27/44/418972744.db2.gz VWFBNGIPRRALGG-UHFFFAOYSA-N -1 3 285.771 3.034 20 0 CGADHM CC(C)[C@H](O)[C@@H]([N-]c1nnc(C2CC2)o1)c1ccccc1 ZINC000664531452 418973380 /nfs/dbraw/zinc/97/33/80/418973380.db2.gz LCYKMTOHVCPSLO-KBPBESRZSA-N -1 3 287.363 3.117 20 0 CGADHM CC[C@@H](NC(=O)c1cc([O-])ccc1Cl)[C@H]1CCCCO1 ZINC000655348517 419041820 /nfs/dbraw/zinc/04/18/20/419041820.db2.gz OAWLKJBODXBKAK-ZIAGYGMSSA-N -1 3 297.782 3.123 20 0 CGADHM CCO[C@@H](CC)c1noc(-c2n[n-]nc2-c2ccccc2)n1 ZINC000665041485 419044747 /nfs/dbraw/zinc/04/47/47/419044747.db2.gz SSCNDRDDFMOTRL-NSHDSACASA-N -1 3 299.334 3.009 20 0 CGADHM CC(C)CC1(CNC(=O)Cc2cncc([O-])c2)CCCC1 ZINC000655392754 419045823 /nfs/dbraw/zinc/04/58/23/419045823.db2.gz SDAMRAFUXPDWFQ-UHFFFAOYSA-N -1 3 290.407 3.052 20 0 CGADHM CCN(Cc1ccc(F)cc1F)C1CCC(C(=O)[O-])CC1 ZINC000659792027 418991651 /nfs/dbraw/zinc/99/16/51/418991651.db2.gz VTEYIGSARLUBQP-UHFFFAOYSA-N -1 3 297.345 3.430 20 0 CGADHM CCOc1nc2cc(C(=O)NC3(C4CCC4)CC3)ccc2[n-]1 ZINC000652868128 418996409 /nfs/dbraw/zinc/99/64/09/418996409.db2.gz QOSOLTIBOZVQCJ-UHFFFAOYSA-N -1 3 299.374 3.024 20 0 CGADHM CCOc1nc2ccc(C(=O)NC3(C4CCC4)CC3)cc2[n-]1 ZINC000652868128 418996412 /nfs/dbraw/zinc/99/64/12/418996412.db2.gz QOSOLTIBOZVQCJ-UHFFFAOYSA-N -1 3 299.374 3.024 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N2CC(C)(C)[C@@H]2c2ccncc2)n1 ZINC000664830536 419012335 /nfs/dbraw/zinc/01/23/35/419012335.db2.gz WAGFOFJFQJEAAC-WFASDCNBSA-N -1 3 298.390 3.030 20 0 CGADHM CCCCc1nc(CNC2(C(=O)[O-])CCCCC2)cs1 ZINC000737004581 572836484 /nfs/dbraw/zinc/83/64/84/572836484.db2.gz UHXYLHVVTRAFAO-UHFFFAOYSA-N -1 3 296.436 3.363 20 0 CGADHM O=C([O-])[C@H]1CN(CCCC2CCC2)Cc2ccccc21 ZINC000656757989 419211312 /nfs/dbraw/zinc/21/13/12/419211312.db2.gz XTJWREFUKLFXPQ-INIZCTEOSA-N -1 3 273.376 3.251 20 0 CGADHM Cc1ccc2c(c1)CN([C@@H](C(=O)[O-])c1ccsc1)CC2 ZINC000656758321 419211320 /nfs/dbraw/zinc/21/13/20/419211320.db2.gz FPLMNUUFMGFXBG-OAHLLOKOSA-N -1 3 287.384 3.241 20 0 CGADHM CCc1cccc2cc(C[N-]c3nc(C)no3)oc21 ZINC000656770038 419213643 /nfs/dbraw/zinc/21/36/43/419213643.db2.gz VSFDMAGRBXQWDI-UHFFFAOYSA-N -1 3 257.293 3.299 20 0 CGADHM CC(C)n1ccnc1C[N-]c1nnc(-c2cccs2)o1 ZINC000656771458 419214640 /nfs/dbraw/zinc/21/46/40/419214640.db2.gz URXZNCYTVXXVSX-UHFFFAOYSA-N -1 3 289.364 3.188 20 0 CGADHM O=S(=O)([N-][C@@H]1CCCC12CCCCC2)c1ccco1 ZINC000657039917 419226777 /nfs/dbraw/zinc/22/67/77/419226777.db2.gz IPHJEWJNRBVXHQ-GFCCVEGCSA-N -1 3 283.393 3.061 20 0 CGADHM Cc1ccc(NC(=O)CCCC(F)(F)F)c([O-])c1 ZINC000355898000 228040454 /nfs/dbraw/zinc/04/04/54/228040454.db2.gz FLBCPONMMQWIOK-UHFFFAOYSA-N -1 3 261.243 3.372 20 0 CGADHM C[C@@H](CN1CCC(C)CC1)NCc1cccc([O-])c1Cl ZINC000657694431 419329249 /nfs/dbraw/zinc/32/92/49/419329249.db2.gz MRBPOJXABZACEB-ZDUSSCGKSA-N -1 3 296.842 3.256 20 0 CGADHM O=C(NCc1ncccc1[O-])c1ccc(C2=CCCC2)cc1 ZINC000356110727 228125150 /nfs/dbraw/zinc/12/51/50/228125150.db2.gz SWQDCOURGWEUKC-UHFFFAOYSA-N -1 3 294.354 3.285 20 0 CGADHM COc1cccc(CN2CCC[C@H](C)[C@H]2C(=O)[O-])c1Cl ZINC000662211434 419362387 /nfs/dbraw/zinc/36/23/87/419362387.db2.gz GVGBEXWQNUAZPC-HZMBPMFUSA-N -1 3 297.782 3.034 20 0 CGADHM CC(C)(C)C[C@H](NCc1ccc(F)c(F)c1F)C(=O)[O-] ZINC000663261078 419536477 /nfs/dbraw/zinc/53/64/77/419536477.db2.gz XZCWCOFQIKKXDV-JTQLQIEISA-N -1 3 289.297 3.083 20 0 CGADHM Cc1cc(C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)ccc1[O-] ZINC000226952161 287636146 /nfs/dbraw/zinc/63/61/46/287636146.db2.gz KORJQNHDWKUITQ-SCDSUCTJSA-N -1 3 261.365 3.255 20 0 CGADHM O=C(/C=C/c1cncc([O-])c1)N[C@H](c1ccccc1)C1CC1 ZINC000179414623 260047272 /nfs/dbraw/zinc/04/72/72/260047272.db2.gz FKGPUZULALGYQB-AHKGRUIUSA-N -1 3 294.354 3.068 20 0 CGADHM Cc1cc2cc(NC(=O)/C=C/c3cncc([O-])c3)ccc2[nH]1 ZINC000179421509 260047870 /nfs/dbraw/zinc/04/78/70/260047870.db2.gz GAKHKLBUFSZYME-GORDUTHDSA-N -1 3 293.326 3.229 20 0 CGADHM O=C(NCCCc1cccc(Cl)c1)c1cccc([O-])c1 ZINC000182252302 262140502 /nfs/dbraw/zinc/14/05/02/262140502.db2.gz LTNCMJRBBSNCGH-UHFFFAOYSA-N -1 3 289.762 3.408 20 0 CGADHM Cc1ccc(C(=O)Nc2ccc(C)c(F)c2)c([O-])c1 ZINC000021519934 262388712 /nfs/dbraw/zinc/38/87/12/262388712.db2.gz TUAMGIYBUFJUGT-UHFFFAOYSA-N -1 3 259.280 3.400 20 0 CGADHM O=C([O-])c1cccc(CN2CCC[C@H]2c2cccnc2)c1 ZINC000414642410 263019383 /nfs/dbraw/zinc/01/93/83/263019383.db2.gz VWGWXPCRZHFMNA-INIZCTEOSA-N -1 3 282.343 3.117 20 0 CGADHM CN(CCCC(=O)[O-])Cc1ccccc1OC1CCCC1 ZINC000414641929 263019604 /nfs/dbraw/zinc/01/96/04/263019604.db2.gz UZJQNKZOHMLJKO-UHFFFAOYSA-N -1 3 291.391 3.305 20 0 CGADHM CCOc1ccc(CN(C)C(=O)c2cc(C)ccc2[O-])cc1 ZINC000036147319 270028112 /nfs/dbraw/zinc/02/81/12/270028112.db2.gz DZCINZITIJVICN-UHFFFAOYSA-N -1 3 299.370 3.372 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2cccc(F)c2C)c1 ZINC000043322341 270034102 /nfs/dbraw/zinc/03/41/02/270034102.db2.gz RYEIBCNKFPEVLA-UHFFFAOYSA-N -1 3 259.280 3.400 20 0 CGADHM COc1ccc([O-])c(C(=O)Nc2cccc(F)c2C)c1 ZINC000043334207 270034207 /nfs/dbraw/zinc/03/42/07/270034207.db2.gz VLXKRKIWJRREOW-UHFFFAOYSA-N -1 3 275.279 3.101 20 0 CGADHM CC(C)(C)c1ccc([O-])c(NC(=O)c2ccc(F)cn2)c1 ZINC000183705396 270055940 /nfs/dbraw/zinc/05/59/40/270055940.db2.gz XKEWFGTVSOQHHW-UHFFFAOYSA-N -1 3 288.322 3.476 20 0 CGADHM CCC[C@@H](C(=O)Nc1ncccc1[O-])c1ccccc1 ZINC000194125527 270081081 /nfs/dbraw/zinc/08/10/81/270081081.db2.gz ATQYCMZCBGOMSL-CYBMUJFWSA-N -1 3 270.332 3.310 20 0 CGADHM CC[C@H](NC(=O)c1cccc([O-])c1)c1ccc(OC)cc1 ZINC000194446292 270081944 /nfs/dbraw/zinc/08/19/44/270081944.db2.gz XRXBLXNHUCDPBW-INIZCTEOSA-N -1 3 285.343 3.282 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)CCC(C)C)c(F)c1 ZINC000303238656 270091987 /nfs/dbraw/zinc/09/19/87/270091987.db2.gz HYPLUXJICSPUFZ-LBPRGKRZSA-N -1 3 287.400 3.237 20 0 CGADHM CC(C)c1cccc2c1CCN(CCCC(=O)[O-])C2 ZINC000519799306 270097971 /nfs/dbraw/zinc/09/79/71/270097971.db2.gz ONHLLMCQEVUDBY-UHFFFAOYSA-N -1 3 261.365 3.033 20 0 CGADHM C[C@H]1CC[C@H](C)N1Cc1c(Cl)cccc1C(=O)[O-] ZINC000521257063 270101391 /nfs/dbraw/zinc/10/13/91/270101391.db2.gz CNWKLGCTEYBDRN-UWVGGRQHSA-N -1 3 267.756 3.411 20 0 CGADHM Cc1ccc(-c2nc([C@@H]3CC[C@H](C)O3)no2)c([O-])c1C ZINC000528233825 270159112 /nfs/dbraw/zinc/15/91/12/270159112.db2.gz GQXFAHSRCVKBSZ-CABZTGNLSA-N -1 3 274.320 3.299 20 0 CGADHM CCC(NC(=O)c1ccc([O-])c(C)c1)(C1CC1)C1CC1 ZINC000529795278 270188513 /nfs/dbraw/zinc/18/85/13/270188513.db2.gz HRDUREKJCFOURG-UHFFFAOYSA-N -1 3 273.376 3.399 20 0 CGADHM Cc1cccc(C(=O)N[C@@H](c2ccccn2)C2CCC2)c1[O-] ZINC000529825061 270189280 /nfs/dbraw/zinc/18/92/80/270189280.db2.gz JBGFNUGQXFVNKQ-MRXNPFEDSA-N -1 3 296.370 3.367 20 0 CGADHM Cc1cccc([C@H](NC(=O)Cc2cncc([O-])c2)C(C)C)c1 ZINC000530034767 270193456 /nfs/dbraw/zinc/19/34/56/270193456.db2.gz XRJXPARMEWBASO-GOSISDBHSA-N -1 3 298.386 3.152 20 0 CGADHM C[C@@H]1CCC[C@@H](CCN2CCc3occc3[C@@H]2C(=O)[O-])C1 ZINC000530167720 270195219 /nfs/dbraw/zinc/19/52/19/270195219.db2.gz YXYCDKKEKKPXCS-DVOMOZLQSA-N -1 3 291.391 3.480 20 0 CGADHM CCc1cccc(C(=O)N[C@@H](C)Cc2ccc(O)cc2)c1[O-] ZINC000532755311 270219283 /nfs/dbraw/zinc/21/92/83/270219283.db2.gz IOUUAOVYTVLDCV-LBPRGKRZSA-N -1 3 299.370 3.021 20 0 CGADHM O=C([O-])C1(NCc2csc(C3CCCC3)n2)CCCC1 ZINC000533203157 270222118 /nfs/dbraw/zinc/22/21/18/270222118.db2.gz NTTJFRLBQMXSNV-UHFFFAOYSA-N -1 3 294.420 3.288 20 0 CGADHM CC(=O)c1ccc(C(=O)N2C[C@H](C)C[C@H](C)[C@@H]2C)cc1[O-] ZINC000408462750 275803987 /nfs/dbraw/zinc/80/39/87/275803987.db2.gz ANDJIPKGQLGQMJ-WOPDTQHZSA-N -1 3 289.375 3.101 20 0 CGADHM CC(=O)c1ccc(C(=O)N2CC(C)(C)[C@H]2C(C)C)cc1[O-] ZINC000412367034 277107001 /nfs/dbraw/zinc/10/70/01/277107001.db2.gz SOCCDKOQWVAHRK-OAHLLOKOSA-N -1 3 289.375 3.101 20 0 CGADHM CC(C)(C)c1ccc(NC(=O)c2cc3n(n2)CCC3)c([O-])c1 ZINC000336269435 277268021 /nfs/dbraw/zinc/26/80/21/277268021.db2.gz WSBAHUWGCLRZAM-UHFFFAOYSA-N -1 3 299.374 3.085 20 0 CGADHM C[C@@H]1CCN(C(=O)C2[C@@H]3CCC[C@H]23)c2c([O-])cccc21 ZINC000186261077 277737052 /nfs/dbraw/zinc/73/70/52/277737052.db2.gz CXWZRHJTZAREII-HJIFLFLRSA-N -1 3 271.360 3.279 20 0 CGADHM C[C@@H]1CCN(C(=O)c2ocnc2C2CC2)c2c([O-])cccc21 ZINC000291790754 277749885 /nfs/dbraw/zinc/74/98/85/277749885.db2.gz YKEIPDIPGOZGCC-SNVBAGLBSA-N -1 3 298.342 3.412 20 0 CGADHM CC1(C)CN(C(=O)c2ccccc2[O-])Cc2ccccc21 ZINC000436815934 278325069 /nfs/dbraw/zinc/32/50/69/278325069.db2.gz QJHSLULVQHDCIM-UHFFFAOYSA-N -1 3 281.355 3.326 20 0 CGADHM Cc1cc(C(=O)N2Cc3ccccc3O[C@@H](C)C2)ccc1[O-] ZINC000436817734 278644221 /nfs/dbraw/zinc/64/42/21/278644221.db2.gz YJJODYVDTQCMAE-ZDUSSCGKSA-N -1 3 297.354 3.124 20 0 CGADHM Cc1ncc(CN[C@H]2CC[C@@H](C)c3ccsc32)c(=O)[n-]1 ZINC000519319242 288134259 /nfs/dbraw/zinc/13/42/59/288134259.db2.gz FPSSEQZOFAHNEE-RNCFNFMXSA-N -1 3 289.404 3.280 20 0 CGADHM C[C@H]1CCN(C(=O)CCc2ccncc2)c2c([O-])cccc21 ZINC000186267775 279698449 /nfs/dbraw/zinc/69/84/49/279698449.db2.gz NCXQSSLNQKNBIJ-ZDUSSCGKSA-N -1 3 296.370 3.260 20 0 CGADHM C[C@@H]([C@H](C)NC(=O)c1csc(=O)[n-]1)C1CCCCC1 ZINC000527457702 288169077 /nfs/dbraw/zinc/16/90/77/288169077.db2.gz BFODCGTVRFVPHD-UWVGGRQHSA-N -1 3 282.409 3.183 20 0 CGADHM O=C([N-]c1cccc(F)c1F)c1noc2c1CCCC2 ZINC000122443889 280035202 /nfs/dbraw/zinc/03/52/02/280035202.db2.gz MTIJEGNZIKQFMH-UHFFFAOYSA-N -1 3 278.258 3.084 20 0 CGADHM O=C([O-])c1cccc(CN2CCC(c3ccncc3)CC2)c1 ZINC000263421815 280072315 /nfs/dbraw/zinc/07/23/15/280072315.db2.gz PDDOWCFSCXZGMH-UHFFFAOYSA-N -1 3 296.370 3.159 20 0 CGADHM O=C(c1cc(F)cc(F)c1)N1CCCc2cccc([O-])c21 ZINC000063063799 280165672 /nfs/dbraw/zinc/16/56/72/280165672.db2.gz YFNHCQIKPLVTDX-UHFFFAOYSA-N -1 3 289.281 3.263 20 0 CGADHM CC(C)(NC(=O)c1cc([O-])cc(Br)c1)C1CC1 ZINC000528649629 288211047 /nfs/dbraw/zinc/21/10/47/288211047.db2.gz BOIHAGRASNBXLY-UHFFFAOYSA-N -1 3 298.180 3.073 20 0 CGADHM CC[C@@H]1CC[C@H](C)N1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000271759201 280334545 /nfs/dbraw/zinc/33/45/45/280334545.db2.gz GMHDRERBBPUJDF-NWDGAFQWSA-N -1 3 284.359 3.344 20 0 CGADHM C[C@@H]1[C@H](C(=O)Nc2c([O-])cccc2Cl)[C@H]1C1CC1 ZINC000529422952 288245553 /nfs/dbraw/zinc/24/55/53/288245553.db2.gz CLCQCAOQNNRNEM-BPTDKIDVSA-N -1 3 265.740 3.276 20 0 CGADHM CC(C)c1ccc(C(=O)N[C@H]2C[C@@H](C)n3ccnc32)c([O-])c1 ZINC000456440216 280602025 /nfs/dbraw/zinc/60/20/25/280602025.db2.gz YKBBCKBQFQFKKP-RISCZKNCSA-N -1 3 299.374 3.148 20 0 CGADHM O=C(NCC1CC=CC1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000529709898 288274265 /nfs/dbraw/zinc/27/42/65/288274265.db2.gz SEMRCMWRDKWYPR-UHFFFAOYSA-N -1 3 285.265 3.107 20 0 CGADHM Cc1ccc(CN2[C@@H](C)CC(C(=O)[O-])C[C@@H]2C)cc1F ZINC000530172349 288292070 /nfs/dbraw/zinc/29/20/70/288292070.db2.gz HTUSMLHJAGDDOL-RYUDHWBXSA-N -1 3 279.355 3.208 20 0 CGADHM CCCc1nc(C)c(CN2[C@H](C)C[C@@H](C(=O)[O-])C[C@@H]2C)o1 ZINC000530175168 288293860 /nfs/dbraw/zinc/29/38/60/288293860.db2.gz OFKLHGCZZCJORQ-PTEHBNRSSA-N -1 3 294.395 3.009 20 0 CGADHM CCc1cccc(C(=O)N[C@@H](C)CCc2ccco2)c1[O-] ZINC000530959701 288321403 /nfs/dbraw/zinc/32/14/03/288321403.db2.gz BYXNKLWISZBGFC-LBPRGKRZSA-N -1 3 287.359 3.299 20 0 CGADHM CCc1cccc(C(=O)N2CCC[C@H]2c2cccn2C)c1[O-] ZINC000536694128 288497992 /nfs/dbraw/zinc/49/79/92/288497992.db2.gz STGNWPHQWKRVPQ-INIZCTEOSA-N -1 3 298.386 3.270 20 0 CGADHM Cc1ccc(F)c(S(=O)(=O)[N-][C@H]2CC23CCCCC3)c1 ZINC000537741249 288546032 /nfs/dbraw/zinc/54/60/32/288546032.db2.gz RCVMWSJRORZDRC-AWEZNQCLSA-N -1 3 297.395 3.135 20 0 CGADHM Cc1ccc2c(c1)N(C(=O)c1ccc([O-])c(C)c1)C[C@@H](C)O2 ZINC000543712835 288816107 /nfs/dbraw/zinc/81/61/07/288816107.db2.gz LVPWXUVLGQPCEE-CYBMUJFWSA-N -1 3 297.354 3.437 20 0 CGADHM CCc1cccc(C(=O)N2C[C@@H](C)CC(C)(C)C2)c1[O-] ZINC000544322987 288841689 /nfs/dbraw/zinc/84/16/89/288841689.db2.gz MOANBXQIFTXUOK-LBPRGKRZSA-N -1 3 275.392 3.463 20 0 CGADHM C[C@H]1C[C@@H]1c1noc(-c2cc3c(cc2[O-])CCCC3)n1 ZINC000547180672 288950727 /nfs/dbraw/zinc/95/07/27/288950727.db2.gz CGUCJNHLFNFQAA-CABZTGNLSA-N -1 3 270.332 3.444 20 0 CGADHM CC(C)C(C)(C)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000551705028 289128582 /nfs/dbraw/zinc/12/85/82/289128582.db2.gz KVPOZOKOADGMSP-UHFFFAOYSA-N -1 3 281.830 3.114 20 0 CGADHM Cc1cccc(C(=O)Nc2c([O-])cccc2Cl)c1O ZINC000552431353 289188935 /nfs/dbraw/zinc/18/89/35/289188935.db2.gz GROPVYMPFYHACH-UHFFFAOYSA-N -1 3 277.707 3.312 20 0 CGADHM C[C@@]12CCN(Cc3c(F)ccc([O-])c3F)C[C@@H]1C2(F)F ZINC000294010887 289226533 /nfs/dbraw/zinc/22/65/33/289226533.db2.gz UGPBVIPLQMGLKS-WCQYABFASA-N -1 3 289.272 3.148 20 0 CGADHM Cc1csc([N-]C(=O)c2scnc2C(F)(F)F)n1 ZINC000096756771 293048682 /nfs/dbraw/zinc/04/86/82/293048682.db2.gz HMDMZPJXVUGEKZ-UHFFFAOYSA-N -1 3 293.295 3.179 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])C(C1CC1)C1CC1 ZINC000156339573 321779456 /nfs/dbraw/zinc/77/94/56/321779456.db2.gz JPQYGAYLZNJNBZ-UHFFFAOYSA-N -1 3 265.740 3.420 20 0 CGADHM COc1ccc([O-])c(C(=O)N2CCCC[C@H]2CC(C)C)c1 ZINC000163008815 321889995 /nfs/dbraw/zinc/88/99/95/321889995.db2.gz KWBQCAYMKQRZDL-ZDUSSCGKSA-N -1 3 291.391 3.442 20 0 CGADHM O=C([O-])[C@H]1CC12CCN(Cc1cccc(C(F)F)c1)CC2 ZINC000405358826 321971069 /nfs/dbraw/zinc/97/10/69/321971069.db2.gz MLHLSFGHKIBKQC-CYBMUJFWSA-N -1 3 295.329 3.311 20 0 CGADHM CC(C)(C)CCCCNC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000563374609 321994173 /nfs/dbraw/zinc/99/41/73/321994173.db2.gz POTJARPMTDCBBQ-UHFFFAOYSA-N -1 3 291.395 3.006 20 0 CGADHM COc1cccc([C@H]2C[C@H](N(C)Cc3ncccc3[O-])C2)c1 ZINC000563678207 322006474 /nfs/dbraw/zinc/00/64/74/322006474.db2.gz KHOOJTHPRWAXIP-SHTZXODSSA-N -1 3 298.386 3.174 20 0 CGADHM C[C@H]1CCN(Cc2ncccc2[O-])[C@@H](c2ccco2)C1 ZINC000564298399 322025912 /nfs/dbraw/zinc/02/59/12/322025912.db2.gz JQPHODUEALKBTN-GXTWGEPZSA-N -1 3 272.348 3.353 20 0 CGADHM CCN(Cc1nc(C)c(C)s1)C1CCC(C(=O)[O-])CC1 ZINC000564669591 322038510 /nfs/dbraw/zinc/03/85/10/322038510.db2.gz VIZGGVFQPIOLIZ-UHFFFAOYSA-N -1 3 296.436 3.225 20 0 CGADHM CCC1(c2nc(-c3ccc4n[n-]nc4c3)no2)CCCC1 ZINC000564862975 322046601 /nfs/dbraw/zinc/04/66/01/322046601.db2.gz UPTGKZPPSPBVJC-UHFFFAOYSA-N -1 3 283.335 3.230 20 0 CGADHM COc1cccc(CN(C)[C@@H](C(=O)[O-])c2ccccc2C)c1 ZINC000565102524 322059932 /nfs/dbraw/zinc/05/99/32/322059932.db2.gz GLSPAUCIWAMNSR-QGZVFWFLSA-N -1 3 299.370 3.261 20 0 CGADHM C[C@@H](C(=O)[O-])[C@H](C)NCc1csc(-c2cccs2)n1 ZINC000565103296 322060272 /nfs/dbraw/zinc/06/02/72/322060272.db2.gz JPIGLTBECOQSGC-BDAKNGLRSA-N -1 3 296.417 3.070 20 0 CGADHM CCSc1nnc(SCc2ncccc2[O-])s1 ZINC000565239693 322069341 /nfs/dbraw/zinc/06/93/41/322069341.db2.gz ZATCUFPRYBCMLL-UHFFFAOYSA-N -1 3 285.419 3.043 20 0 CGADHM CSc1nnc(NC(=O)C[C@@H](C)CCC=C(C)C)[n-]1 ZINC000565481927 322079687 /nfs/dbraw/zinc/07/96/87/322079687.db2.gz DKSTUCMKCRCCLD-JTQLQIEISA-N -1 3 282.413 3.238 20 0 CGADHM CSc1n[n-]c(NC(=O)C[C@@H](C)CCC=C(C)C)n1 ZINC000565481927 322079689 /nfs/dbraw/zinc/07/96/89/322079689.db2.gz DKSTUCMKCRCCLD-JTQLQIEISA-N -1 3 282.413 3.238 20 0 CGADHM CSc1nc(NC(=O)C[C@@H](C)CCC=C(C)C)n[n-]1 ZINC000565481927 322079691 /nfs/dbraw/zinc/07/96/91/322079691.db2.gz DKSTUCMKCRCCLD-JTQLQIEISA-N -1 3 282.413 3.238 20 0 CGADHM Cc1ccccc1[C@H]1CCN(Cc2ccc(C(=O)[O-])cn2)C1 ZINC000565839145 322093562 /nfs/dbraw/zinc/09/35/62/322093562.db2.gz WMKAAXDXJPQLFA-HNNXBMFYSA-N -1 3 296.370 3.078 20 0 CGADHM CC(=O)c1cccc(NC(=O)[C@@H]2C[C@]2(C)C(C)C)c1[O-] ZINC000566281240 322113579 /nfs/dbraw/zinc/11/35/79/322113579.db2.gz PYLBBKLHTPDLBX-BLLLJJGKSA-N -1 3 275.348 3.216 20 0 CGADHM CCOCCN(CCC(C)(C)C)Cc1ccc(C(=O)[O-])o1 ZINC000566361018 322118278 /nfs/dbraw/zinc/11/82/78/322118278.db2.gz DOSREDHTVCISCR-UHFFFAOYSA-N -1 3 297.395 3.253 20 0 CGADHM Cc1ccc(-c2nnc(SCc3ncccc3[O-])o2)cc1 ZINC000567448019 322163536 /nfs/dbraw/zinc/16/35/36/322163536.db2.gz POYUDHJMARUPLS-UHFFFAOYSA-N -1 3 299.355 3.438 20 0 CGADHM C[C@@H]1CCC[C@@H](NC(=O)c2c[n-]nc2-c2ccccn2)CC1 ZINC000567552301 322167746 /nfs/dbraw/zinc/16/77/46/322167746.db2.gz WCBLDNIUWZATFV-CHWSQXEVSA-N -1 3 298.390 3.170 20 0 CGADHM Cc1cccc(C2=CCN(Cc3ncccc3[O-])CC2)c1 ZINC000569741058 322255817 /nfs/dbraw/zinc/25/58/17/322255817.db2.gz HNVXQFTVRYQIGT-UHFFFAOYSA-N -1 3 280.371 3.385 20 0 CGADHM Cc1cc([C@H](C)N(C)CCC2CCOCC2)oc1C(=O)[O-] ZINC000570402803 322272744 /nfs/dbraw/zinc/27/27/44/322272744.db2.gz AHDGJCKPWSSTRM-LBPRGKRZSA-N -1 3 295.379 3.096 20 0 CGADHM CC[C@H]1CCCCN1Cc1csc(C(=O)[O-])c1 ZINC000570975622 322287136 /nfs/dbraw/zinc/28/71/36/322287136.db2.gz JAIIHCKXCOCTOK-NSHDSACASA-N -1 3 253.367 3.211 20 0 CGADHM O=C([O-])C1CCN([C@@H]2CCc3ccc(Cl)cc32)CC1 ZINC000571812185 322308323 /nfs/dbraw/zinc/30/83/23/322308323.db2.gz ZDRMVYNYPXZYGR-CQSZACIVSA-N -1 3 279.767 3.124 20 0 CGADHM CC(C)c1cc(C(=O)Nc2c([O-])cccc2Cl)no1 ZINC000571843967 322309124 /nfs/dbraw/zinc/30/91/24/322309124.db2.gz UAPPSLSBVKWMIC-UHFFFAOYSA-N -1 3 280.711 3.409 20 0 CGADHM CC(=O)CC1(C(=O)Nc2c([O-])cccc2Cl)CCC1 ZINC000572013778 322316053 /nfs/dbraw/zinc/31/60/53/322316053.db2.gz KZCKBIFDIPYNON-UHFFFAOYSA-N -1 3 281.739 3.134 20 0 CGADHM CCc1[n-][nH]c(=NC(=O)[C@@H]2CCC[C@@H]2c2ccccc2)c1C ZINC000574010013 322418423 /nfs/dbraw/zinc/41/84/23/322418423.db2.gz ATJHAZPFKUVZJL-HUUCEWRRSA-N -1 3 297.402 3.225 20 0 CGADHM CN(Cc1cccc(C(=O)[O-])c1Cl)C1CCCC1 ZINC000394504750 329124412 /nfs/dbraw/zinc/12/44/12/329124412.db2.gz IRLGGBVSTOKPIU-UHFFFAOYSA-N -1 3 267.756 3.413 20 0 CGADHM O=C(Cc1c[nH]c2ccccc12)Nc1cc(F)ccc1[O-] ZINC000174880167 335168349 /nfs/dbraw/zinc/16/83/49/335168349.db2.gz HLTPCOZDTYKUMH-UHFFFAOYSA-N -1 3 284.290 3.194 20 0 CGADHM CC(C)(C)Oc1ccc(C(=O)Nc2ncccc2[O-])cc1 ZINC000175182034 335177109 /nfs/dbraw/zinc/17/71/09/335177109.db2.gz AUCQVKITRKPXLA-UHFFFAOYSA-N -1 3 286.331 3.217 20 0 CGADHM O=C(Nc1cc(C(F)(F)F)ccc1[O-])c1cscn1 ZINC000175818539 335204855 /nfs/dbraw/zinc/20/48/55/335204855.db2.gz KFEPDHDLSMYSBO-UHFFFAOYSA-N -1 3 288.250 3.120 20 0 CGADHM O=C(Nc1cc(C(F)(F)F)ccc1[O-])[C@@H]1C[C@H]1C1CC1 ZINC000176121557 335240931 /nfs/dbraw/zinc/24/09/31/335240931.db2.gz TVNUWHMTDSWYGK-VHSXEESVSA-N -1 3 285.265 3.396 20 0 CGADHM Cc1cc(C)n([C@@H](C)C(=O)Nc2ccc(Cl)cc2[O-])n1 ZINC000179639115 335505291 /nfs/dbraw/zinc/50/52/91/335505291.db2.gz VUEPXBNGNSUECZ-JTQLQIEISA-N -1 3 293.754 3.059 20 0 CGADHM COc1cc(-c2noc([C@H](C)OCC(C)C)n2)ccc1[O-] ZINC000350588462 335517189 /nfs/dbraw/zinc/51/71/89/335517189.db2.gz XRKIYRXPYINQMQ-JTQLQIEISA-N -1 3 292.335 3.184 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)CC2(O)CCCCC2)c1[O-] ZINC000179803071 335520657 /nfs/dbraw/zinc/52/06/57/335520657.db2.gz AOSPGXWNXIEKNI-UHFFFAOYSA-N -1 3 297.782 3.378 20 0 CGADHM Cc1cc(C)c(CC(=O)Nc2ccccc2[O-])c(C)c1 ZINC000179803181 335520750 /nfs/dbraw/zinc/52/07/50/335520750.db2.gz ZUDMHEGFMVGBKX-UHFFFAOYSA-N -1 3 269.344 3.499 20 0 CGADHM CCOc1cc(-c2noc(-c3ccc(C)nc3)n2)ccc1[O-] ZINC000350795214 335533885 /nfs/dbraw/zinc/53/38/85/335533885.db2.gz RJPNDGNBIPTTFT-UHFFFAOYSA-N -1 3 297.314 3.211 20 0 CGADHM O=C([O-])CC1(CNCc2ccc(F)cc2F)CCCCC1 ZINC000579907022 335921754 /nfs/dbraw/zinc/92/17/54/335921754.db2.gz JOXLVZURAYZHNH-UHFFFAOYSA-N -1 3 297.345 3.480 20 0 CGADHM Cc1oc(CN2CCS[C@@H]3CCCC[C@@H]32)cc1C(=O)[O-] ZINC000581553723 336101745 /nfs/dbraw/zinc/10/17/45/336101745.db2.gz BRKSNWXVKMNRQQ-UONOGXRCSA-N -1 3 295.404 3.146 20 0 CGADHM C[C@@H]1CCC[C@@H](CNC(=O)Cc2ccc([O-])c(F)c2)C1 ZINC000448785482 533750454 /nfs/dbraw/zinc/75/04/54/533750454.db2.gz ZLPMMQMSEXZEOB-DGCLKSJQSA-N -1 3 279.355 3.016 20 0 CGADHM Cc1nsc(C)c1-c1noc(-c2ccccc2[O-])n1 ZINC000436785427 534496625 /nfs/dbraw/zinc/49/66/25/534496625.db2.gz DUWPCBFELUDVOT-UHFFFAOYSA-N -1 3 273.317 3.183 20 0 CGADHM O=C([O-])[C@@H](NC/C=C/c1ccc(F)cc1)c1cccs1 ZINC000426790349 534512952 /nfs/dbraw/zinc/51/29/52/534512952.db2.gz CUFOTNPALXVKJY-YOUVMVQBSA-N -1 3 291.347 3.316 20 0 CGADHM CCSCCS[C@H](C)c1nc(C)cc(=O)[n-]1 ZINC000185580996 521710577 /nfs/dbraw/zinc/71/05/77/521710577.db2.gz BKDWAILFVICPIZ-SECBINFHSA-N -1 3 258.412 3.038 20 0 CGADHM Cc1cccc(C(=O)N[C@@H]2[C@@H]3CCc4ccccc4[C@@H]32)c1[O-] ZINC000436596552 534618225 /nfs/dbraw/zinc/61/82/25/534618225.db2.gz QVLDASZLSGDSSB-HYVNUMGLSA-N -1 3 293.366 3.159 20 0 CGADHM N[C@H](CC1CCCCC1)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000423706810 534719748 /nfs/dbraw/zinc/71/97/48/534719748.db2.gz JSLCRVGQZUWGIQ-GFCCVEGCSA-N -1 3 296.798 3.282 20 0 CGADHM O=C(N[C@@H]1CCC[C@H]1c1ccccc1)c1c([O-])cccc1O ZINC000436650842 534737009 /nfs/dbraw/zinc/73/70/09/534737009.db2.gz XSHXYUUELMWUPN-UONOGXRCSA-N -1 3 297.354 3.164 20 0 CGADHM C[C@H]1CC[C@H](C)N(C(=O)Cc2ccc([O-])cc2Cl)C1 ZINC000155516679 524391752 /nfs/dbraw/zinc/39/17/52/524391752.db2.gz NWPCAWUIMVYMBD-QWRGUYRKSA-N -1 3 281.783 3.235 20 0 CGADHM Cc1ccccc1S(=O)(=O)[N-]c1c(C)cccc1F ZINC000166122830 534833507 /nfs/dbraw/zinc/83/35/07/534833507.db2.gz QXPCEWGCJILZEY-UHFFFAOYSA-N -1 3 279.336 3.243 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CCC(C(F)(F)F)CC2)c1 ZINC000088431954 525333667 /nfs/dbraw/zinc/33/36/67/525333667.db2.gz LUXBRXIDQFSANQ-UHFFFAOYSA-N -1 3 287.281 3.115 20 0 CGADHM C[C@@H]1C[C@H](C)CN(Cc2cc(C(=O)[O-])ccc2F)C1 ZINC000062749635 525384020 /nfs/dbraw/zinc/38/40/20/525384020.db2.gz OSDGJTQOFVFTQQ-PHIMTYICSA-N -1 3 265.328 3.002 20 0 CGADHM CSc1ccsc1C(=O)[N-]c1n[nH]c(C2CCC2)n1 ZINC000184553475 526204409 /nfs/dbraw/zinc/20/44/09/526204409.db2.gz CPWOWQKFUVGDBE-UHFFFAOYSA-N -1 3 294.405 3.108 20 0 CGADHM [O-]c1cc(F)cc(CN[C@@H]2CCOc3ccccc32)c1 ZINC000184138154 526334451 /nfs/dbraw/zinc/33/44/51/526334451.db2.gz PWTYVVFYVAOXLI-OAHLLOKOSA-N -1 3 273.307 3.145 20 0 CGADHM CC(C)(C)c1nc(CN[C@@H]2CCC[C@@]2(C)C(=O)[O-])cs1 ZINC000426752555 526864712 /nfs/dbraw/zinc/86/47/12/526864712.db2.gz DAAULUIWLRBAMC-IAQYHMDHSA-N -1 3 296.436 3.174 20 0 CGADHM CC(C)(C)c1nc(C=Cc2ccn(C(F)F)n2)cc(=O)[n-]1 ZINC000414079122 526874789 /nfs/dbraw/zinc/87/47/89/526874789.db2.gz RLRDBNBRANKUAU-SNAWJCMRSA-N -1 3 294.305 3.242 20 0 CGADHM O=C(N[C@@H]1CCCc2sccc21)c1ccccc1[O-] ZINC000061367868 526917452 /nfs/dbraw/zinc/91/74/52/526917452.db2.gz YMCVRBXKCMRNSS-GFCCVEGCSA-N -1 3 273.357 3.261 20 0 CGADHM O=C(Nc1cc(C(F)(F)F)ccc1[O-])C1CC=CC1 ZINC000081458409 527105845 /nfs/dbraw/zinc/10/58/45/527105845.db2.gz CCCMHWULMKKSEB-UHFFFAOYSA-N -1 3 271.238 3.316 20 0 CGADHM CC(=O)c1ccc(C(=O)N(C)[C@H]2CCC(C)(C)C2)cc1[O-] ZINC000412310747 527235638 /nfs/dbraw/zinc/23/56/38/527235638.db2.gz QSCUKYUODZGGRY-ZDUSSCGKSA-N -1 3 289.375 3.246 20 0 CGADHM CC(=O)c1ccc(C(=O)NCCCC2CCCC2)cc1[O-] ZINC000436528539 527252141 /nfs/dbraw/zinc/25/21/41/527252141.db2.gz HXAWWOJQKRMWGI-UHFFFAOYSA-N -1 3 289.375 3.295 20 0 CGADHM CC(=O)c1ncc(C(=O)[N-]c2ncc(C(C)C)s2)s1 ZINC000412152105 527440431 /nfs/dbraw/zinc/44/04/31/527440431.db2.gz ZKSPPUGBKINVJI-UHFFFAOYSA-N -1 3 295.389 3.178 20 0 CGADHM CC(C)=CCSC[C@H](NCc1csc(C)c1)C(=O)[O-] ZINC000417630704 527454173 /nfs/dbraw/zinc/45/41/73/527454173.db2.gz UXFXECWTTLQVJC-ZDUSSCGKSA-N -1 3 299.461 3.299 20 0 CGADHM C/C(=C/c1ccccc1)CN(C)C(=O)c1ccc(O)cc1[O-] ZINC000436821110 527504637 /nfs/dbraw/zinc/50/46/37/527504637.db2.gz UMNUVJONWVADPH-RAXLEYEMSA-N -1 3 297.354 3.273 20 0 CGADHM CCCC(C)(C)CC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000425942573 527983905 /nfs/dbraw/zinc/98/39/05/527983905.db2.gz FZIXVLBLXCSOMN-UHFFFAOYSA-N -1 3 287.367 3.022 20 0 CGADHM CCCC(C)(C)CC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000425942573 527983909 /nfs/dbraw/zinc/98/39/09/527983909.db2.gz FZIXVLBLXCSOMN-UHFFFAOYSA-N -1 3 287.367 3.022 20 0 CGADHM CCCN(CC1CC1)C(=O)c1cc(CC)ccc1[O-] ZINC000436754420 528022053 /nfs/dbraw/zinc/02/20/53/528022053.db2.gz HHAFEZXLXDWFFF-UHFFFAOYSA-N -1 3 261.365 3.217 20 0 CGADHM CC1=C[C@@H](C)CN(C(=O)Cc2ccc([O-])cc2Cl)C1 ZINC000436021914 528125834 /nfs/dbraw/zinc/12/58/34/528125834.db2.gz KRXVVWDQTVFVGQ-SNVBAGLBSA-N -1 3 279.767 3.013 20 0 CGADHM CC(C)[C@@H](C(=O)[O-])[C@H](C)NCc1csc(C(C)(C)C)n1 ZINC000424620187 528377430 /nfs/dbraw/zinc/37/74/30/528377430.db2.gz MONOSVVJOMMAJO-CMPLNLGQSA-N -1 3 298.452 3.276 20 0 CGADHM CCC[C@H]1CCCN([C@@H](C)c2nc(C)cc(=O)[n-]2)C1 ZINC000192620515 528377921 /nfs/dbraw/zinc/37/79/21/528377921.db2.gz OUYXMYFVUUKWDM-STQMWFEESA-N -1 3 263.385 3.064 20 0 CGADHM CC(C)[C@@H](C)N(C)C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000436952482 528405472 /nfs/dbraw/zinc/40/54/72/528405472.db2.gz WYVVTRLSLZHGHF-GFCCVEGCSA-N -1 3 275.392 3.388 20 0 CGADHM CCOc1ccc(CNC(=O)c2ccc(C)cc2[O-])cc1 ZINC000436759967 528454004 /nfs/dbraw/zinc/45/40/04/528454004.db2.gz JLXAJPYGMWYMKA-UHFFFAOYSA-N -1 3 285.343 3.029 20 0 CGADHM CCCc1[nH]ccc1C(=O)Nc1ccc(C)cc1[O-] ZINC000421738141 528542781 /nfs/dbraw/zinc/54/27/81/528542781.db2.gz PVBKOTDXCGFJIR-UHFFFAOYSA-N -1 3 258.321 3.234 20 0 CGADHM CCOc1ccccc1CNC(=O)c1ccc([O-])c(CC)c1 ZINC000436604689 528729895 /nfs/dbraw/zinc/72/98/95/528729895.db2.gz JOGYCUCJYIGAFD-UHFFFAOYSA-N -1 3 299.370 3.283 20 0 CGADHM CCN(C(=O)c1cc(C)ccc1[O-])c1ccccc1OC ZINC000436533819 529070615 /nfs/dbraw/zinc/07/06/15/529070615.db2.gz NRUFSSPVIBMLPY-UHFFFAOYSA-N -1 3 285.343 3.376 20 0 CGADHM CCN(C(=O)c1ccc(C)cc1[O-])c1ccccc1OC ZINC000436538213 529081059 /nfs/dbraw/zinc/08/10/59/529081059.db2.gz HHYRPHGXFPGBFW-UHFFFAOYSA-N -1 3 285.343 3.376 20 0 CGADHM CCN(C(=O)c1ccc(OC)cc1[O-])C1CC(C)(C)C1 ZINC000413989311 529085755 /nfs/dbraw/zinc/08/57/55/529085755.db2.gz MLXKQFYNWLCAEE-UHFFFAOYSA-N -1 3 277.364 3.052 20 0 CGADHM CC[C@@H](N[C@H](C)c1nc(C)cc(=O)[n-]1)c1cccs1 ZINC000192777261 529206560 /nfs/dbraw/zinc/20/65/60/529206560.db2.gz GAEKXOMRJQLQDS-GHMZBOCLSA-N -1 3 277.393 3.354 20 0 CGADHM CC[C@H]1CCC[C@H](CNCc2nc(C)c(C(=O)[O-])s2)C1 ZINC000426679992 529229865 /nfs/dbraw/zinc/22/98/65/529229865.db2.gz YSYKDLMJSQUNBZ-RYUDHWBXSA-N -1 3 296.436 3.456 20 0 CGADHM CC[C@H]1CN(Cc2cc([O-])cc(C(F)(F)F)c2)CCO1 ZINC000356070394 529296037 /nfs/dbraw/zinc/29/60/37/529296037.db2.gz XXYIRPKCPLKOBC-ZDUSSCGKSA-N -1 3 289.297 3.022 20 0 CGADHM CCCCCN(CCC(=O)[O-])Cc1cccc(F)c1F ZINC000516300939 535022774 /nfs/dbraw/zinc/02/27/74/535022774.db2.gz LOIYQDWHSWFUKQ-UHFFFAOYSA-N -1 3 285.334 3.432 20 0 CGADHM CC(C)(C)c1ccc(NC(=O)C=Cc2c[nH]cn2)c([O-])c1 ZINC000492905283 535116709 /nfs/dbraw/zinc/11/67/09/535116709.db2.gz ZNNWDHYNDPZHML-ALCCZGGFSA-N -1 3 285.347 3.065 20 0 CGADHM CC(C)(C)c1ccc(NC(=O)/C=C/c2cnccn2)c([O-])c1 ZINC000492805166 535116840 /nfs/dbraw/zinc/11/68/40/535116840.db2.gz ISPOFDUUMBBQDB-FNORWQNLSA-N -1 3 297.358 3.132 20 0 CGADHM CC(C)(C)c1ccc(NC(=O)/C=C\c2ccncn2)c([O-])c1 ZINC000492767360 535117117 /nfs/dbraw/zinc/11/71/17/535117117.db2.gz NDEDHPYIHXFHMF-ALCCZGGFSA-N -1 3 297.358 3.132 20 0 CGADHM CC(C)[C@H]1CN(C(=O)c2ccccc2[O-])[C@H]1C(C)C ZINC000456275022 535230277 /nfs/dbraw/zinc/23/02/77/535230277.db2.gz ALPULWIVJTYVDN-HIFRSBDPSA-N -1 3 261.365 3.145 20 0 CGADHM CCSc1ccc(Cl)cc1[N-]S(=O)(=O)C1CC1 ZINC000105390130 535738322 /nfs/dbraw/zinc/73/83/22/535738322.db2.gz WUAUXKOGXBXDCI-UHFFFAOYSA-N -1 3 291.825 3.356 20 0 CGADHM CCc1cc(C(=O)N(C)[C@@H](C)C2CCC2)ccc1[O-] ZINC000486949172 536099135 /nfs/dbraw/zinc/09/91/35/536099135.db2.gz HCDVCQWFTMVXHK-NSHDSACASA-N -1 3 261.365 3.215 20 0 CGADHM COc1ccc(C(=O)N(C)C2CCC(C)(C)CC2)c([O-])c1 ZINC000094820031 536690880 /nfs/dbraw/zinc/69/08/80/536690880.db2.gz MUUTXEHOKDLOCB-UHFFFAOYSA-N -1 3 291.391 3.442 20 0 CGADHM COc1ccccc1CO[N-]C(=O)/C=C/c1ccsc1 ZINC000492646443 537049725 /nfs/dbraw/zinc/04/97/25/537049725.db2.gz NKHDWNLFJMQVEE-VOTSOKGWSA-N -1 3 289.356 3.018 20 0 CGADHM Cc1cc(CN(C)CCc2ccccc2F)oc1C(=O)[O-] ZINC000738381676 571687003 /nfs/dbraw/zinc/68/70/03/571687003.db2.gz BLABGQITEGXYBE-UHFFFAOYSA-N -1 3 291.322 3.100 20 0 CGADHM O=C(c1cc2occc2[n-]1)N1CCc2cc(F)c(F)cc21 ZINC000750846294 572329820 /nfs/dbraw/zinc/32/98/20/572329820.db2.gz YAWXWTXHQWJNPN-UHFFFAOYSA-N -1 3 288.253 3.242 20 0 CGADHM Clc1cc(-c2nnn[n-]2)ccc1O[C@@H]1C=CCCC1 ZINC000737562661 572348194 /nfs/dbraw/zinc/34/81/94/572348194.db2.gz LFQFKNWBHXABBY-SNVBAGLBSA-N -1 3 276.727 3.008 20 0 CGADHM Clc1cc(-c2nn[n-]n2)ccc1O[C@@H]1C=CCCC1 ZINC000737562661 572348195 /nfs/dbraw/zinc/34/81/95/572348195.db2.gz LFQFKNWBHXABBY-SNVBAGLBSA-N -1 3 276.727 3.008 20 0 CGADHM O=C(c1coc(C2CCC2)n1)N1CCCc2cccc([O-])c21 ZINC000192837276 572359165 /nfs/dbraw/zinc/35/91/65/572359165.db2.gz VUXHUFYHXJWHQV-UHFFFAOYSA-N -1 3 298.342 3.241 20 0 CGADHM COc1ccc([C@@H](NCc2cc(C)cc(C)c2)C(=O)[O-])cc1 ZINC000737973486 572371245 /nfs/dbraw/zinc/37/12/45/572371245.db2.gz QEPACWLEBMZMCG-QGZVFWFLSA-N -1 3 299.370 3.228 20 0 CGADHM Fc1ccc(-c2nnn[n-]2)cc1CSc1cccs1 ZINC000737648726 572389431 /nfs/dbraw/zinc/38/94/31/572389431.db2.gz ITKBXZOQQQSOOX-UHFFFAOYSA-N -1 3 292.364 3.360 20 0 CGADHM Fc1ccc(-c2nn[n-]n2)cc1CSc1cccs1 ZINC000737648726 572389436 /nfs/dbraw/zinc/38/94/36/572389436.db2.gz ITKBXZOQQQSOOX-UHFFFAOYSA-N -1 3 292.364 3.360 20 0 CGADHM C[C@@H](NC1CCC(NC(=O)[O-])CC1)c1ccccc1F ZINC000739032356 572399368 /nfs/dbraw/zinc/39/93/68/572399368.db2.gz KYVFQELZHCWVMT-VOMCLLRMSA-N -1 3 280.343 3.055 20 0 CGADHM Cn1cccc1[C@H]1CCCN1Cc1ccc(C(=O)[O-])cc1 ZINC000739042587 572399507 /nfs/dbraw/zinc/39/95/07/572399507.db2.gz JTENEEACDQMNFL-MRXNPFEDSA-N -1 3 284.359 3.060 20 0 CGADHM C[C@H](NC(=O)[O-])C1CCN(c2ccnc3ccccc32)CC1 ZINC000739018160 572399957 /nfs/dbraw/zinc/39/99/57/572399957.db2.gz WPVDNMNNTQDCOJ-LBPRGKRZSA-N -1 3 299.374 3.107 20 0 CGADHM CC[C@H](c1ccc(F)cc1)N1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000739279017 572407263 /nfs/dbraw/zinc/40/72/63/572407263.db2.gz PRKZTEUXOSQGKR-SWLSCSKDSA-N -1 3 294.370 3.209 20 0 CGADHM O=C([O-])c1cccc(CNC2(c3ccccc3)CC2)c1 ZINC000740221200 572437125 /nfs/dbraw/zinc/43/71/25/572437125.db2.gz MOLQMUMKHJOEGI-UHFFFAOYSA-N -1 3 267.328 3.164 20 0 CGADHM Cc1cccc2c(=O)c(C(=O)N3CCCCCCC3)c[n-]c12 ZINC000741743255 572520829 /nfs/dbraw/zinc/52/08/29/572520829.db2.gz OLHRPTGSACKXDG-UHFFFAOYSA-N -1 3 298.386 3.243 20 0 CGADHM O=c1ccnc(C=Cc2cccc(Br)c2)[n-]1 ZINC000742220483 572559235 /nfs/dbraw/zinc/55/92/35/572559235.db2.gz ODQXDWZSNYMCNZ-SNAWJCMRSA-N -1 3 277.121 3.115 20 0 CGADHM Cc1nn(-c2ccccc2)c(C)c1C=Cc1nccc(=O)[n-]1 ZINC000742219801 572559290 /nfs/dbraw/zinc/55/92/90/572559290.db2.gz FKCNDWUYPKPWQF-HJWRWDBZSA-N -1 3 292.342 3.155 20 0 CGADHM C[C@@H](OC(=O)c1ccc(Cl)cc1[O-])c1cccnc1 ZINC000733383954 572562495 /nfs/dbraw/zinc/56/24/95/572562495.db2.gz PRJRKCOFMRKCEE-SECBINFHSA-N -1 3 277.707 3.359 20 0 CGADHM CC[C@@H](OC(=O)c1cncc([O-])c1)c1ccccc1 ZINC000733495345 572582033 /nfs/dbraw/zinc/58/20/33/572582033.db2.gz NXFWRFSGFGKMAK-CQSZACIVSA-N -1 3 257.289 3.095 20 0 CGADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)C(C)(C)C)c2)n1 ZINC000744216459 572725118 /nfs/dbraw/zinc/72/51/18/572725118.db2.gz HLYCQZDKPOOABH-UHFFFAOYSA-N -1 3 286.331 3.109 20 0 CGADHM C[C@@H]1CCC[C@@H]1Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736258845 572777374 /nfs/dbraw/zinc/77/73/74/572777374.db2.gz BRDJULLFOQRPLB-PELKAZGASA-N -1 3 277.759 3.121 20 0 CGADHM C[C@@H]1CCC[C@@H]1Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736258845 572777376 /nfs/dbraw/zinc/77/73/76/572777376.db2.gz BRDJULLFOQRPLB-PELKAZGASA-N -1 3 277.759 3.121 20 0 CGADHM CC[C@@H](Cc1ccccc1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000736353780 572783661 /nfs/dbraw/zinc/78/36/61/572783661.db2.gz YEQCSQCLCXAXJO-HNNXBMFYSA-N -1 3 293.374 3.300 20 0 CGADHM CC[C@@H](Cc1ccccc1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000736353780 572783663 /nfs/dbraw/zinc/78/36/63/572783663.db2.gz YEQCSQCLCXAXJO-HNNXBMFYSA-N -1 3 293.374 3.300 20 0 CGADHM CC[C@H](Nc1ncccc1-c1nnn[n-]1)C1CCCCC1 ZINC000736367575 572784536 /nfs/dbraw/zinc/78/45/36/572784536.db2.gz CEWOGIWEIAWTTF-ZDUSSCGKSA-N -1 3 286.383 3.033 20 0 CGADHM CC[C@H](Nc1ncccc1-c1nn[n-]n1)C1CCCCC1 ZINC000736367575 572784540 /nfs/dbraw/zinc/78/45/40/572784540.db2.gz CEWOGIWEIAWTTF-ZDUSSCGKSA-N -1 3 286.383 3.033 20 0 CGADHM CCC1(C)CCN(c2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000736394703 572786716 /nfs/dbraw/zinc/78/67/16/572786716.db2.gz DKRYDXYNQPEBFG-UHFFFAOYSA-N -1 3 289.358 3.022 20 0 CGADHM CCC1(C)CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000736394703 572786719 /nfs/dbraw/zinc/78/67/19/572786719.db2.gz DKRYDXYNQPEBFG-UHFFFAOYSA-N -1 3 289.358 3.022 20 0 CGADHM CCC1CCN(c2ccc(Cl)cc2-c2nnn[n-]2)CC1 ZINC000736412157 572788324 /nfs/dbraw/zinc/78/83/24/572788324.db2.gz UIKYLNUIUJBDBA-UHFFFAOYSA-N -1 3 291.786 3.147 20 0 CGADHM CCC1CCN(c2ccc(Cl)cc2-c2nn[n-]n2)CC1 ZINC000736412157 572788329 /nfs/dbraw/zinc/78/83/29/572788329.db2.gz UIKYLNUIUJBDBA-UHFFFAOYSA-N -1 3 291.786 3.147 20 0 CGADHM CCC[C@H]1CCCC[C@@H]1Nc1ncccc1-c1nnn[n-]1 ZINC000736435365 572791638 /nfs/dbraw/zinc/79/16/38/572791638.db2.gz LELSERNTYVLHCT-AAEUAGOBSA-N -1 3 286.383 3.033 20 0 CGADHM CCC[C@H]1CCCC[C@@H]1Nc1ncccc1-c1nn[n-]n1 ZINC000736435365 572791642 /nfs/dbraw/zinc/79/16/42/572791642.db2.gz LELSERNTYVLHCT-AAEUAGOBSA-N -1 3 286.383 3.033 20 0 CGADHM CCN(Cc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1 ZINC000736557795 572799493 /nfs/dbraw/zinc/79/94/93/572799493.db2.gz AXKNONBJIVIAGG-UHFFFAOYSA-N -1 3 297.337 3.032 20 0 CGADHM CCN(Cc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000736557795 572799497 /nfs/dbraw/zinc/79/94/97/572799497.db2.gz AXKNONBJIVIAGG-UHFFFAOYSA-N -1 3 297.337 3.032 20 0 CGADHM C[C@H](c1cccc(O)c1)N(C)Cc1cccc(C(=O)[O-])c1 ZINC000736718151 572807112 /nfs/dbraw/zinc/80/71/12/572807112.db2.gz RFFRXXXKEPARMR-GFCCVEGCSA-N -1 3 285.343 3.283 20 0 CGADHM C[C@@H]1Cc2ccccc2CN1Cc1cccc(C(=O)[O-])c1 ZINC000736823816 572819525 /nfs/dbraw/zinc/81/95/25/572819525.db2.gz CQNLVBBQCOSGMU-CYBMUJFWSA-N -1 3 281.355 3.332 20 0 CGADHM CN(Cc1ccccc1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000736827436 572819562 /nfs/dbraw/zinc/81/95/62/572819562.db2.gz CYUKXNWGKSRBTG-UHFFFAOYSA-N -1 3 299.765 3.157 20 0 CGADHM CN(Cc1ccccc1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000736827436 572819564 /nfs/dbraw/zinc/81/95/64/572819564.db2.gz CYUKXNWGKSRBTG-UHFFFAOYSA-N -1 3 299.765 3.157 20 0 CGADHM C[C@H]1CC[C@H](Nc2c(F)cc(-c3nnn[n-]3)cc2F)CC1 ZINC000737196438 572865715 /nfs/dbraw/zinc/86/57/15/572865715.db2.gz IUKBTEIMSUXTPN-CZMCAQCFSA-N -1 3 293.321 3.136 20 0 CGADHM C[C@H]1CC[C@H](Nc2c(F)cc(-c3nn[n-]n3)cc2F)CC1 ZINC000737196438 572865718 /nfs/dbraw/zinc/86/57/18/572865718.db2.gz IUKBTEIMSUXTPN-CZMCAQCFSA-N -1 3 293.321 3.136 20 0 CGADHM Cc1nc(Sc2nc3ccccc3c(=O)[n-]2)oc1C ZINC000750531371 573145752 /nfs/dbraw/zinc/14/57/52/573145752.db2.gz NCJMEZGRAUUSEU-UHFFFAOYSA-N -1 3 273.317 3.091 20 0 CGADHM CC(C)n1ccnc1Sc1nc2ccccc2c(=O)[n-]1 ZINC000750531604 573146293 /nfs/dbraw/zinc/14/62/93/573146293.db2.gz SQCMPZRGKHLANQ-UHFFFAOYSA-N -1 3 286.360 3.264 20 0 CGADHM Cc1nonc1[N-]C(=O)c1ccc(-c2ccccc2F)o1 ZINC000750551798 573150073 /nfs/dbraw/zinc/15/00/73/573150073.db2.gz MUOOXKLXLQHEDD-UHFFFAOYSA-N -1 3 287.250 3.029 20 0 CGADHM CCC(CC)(CNc1ccc(-c2nn[n-]n2)cc1)SC ZINC000820887927 599084994 /nfs/dbraw/zinc/08/49/94/599084994.db2.gz XVPBXDVHAZCYQQ-UHFFFAOYSA-N -1 3 291.424 3.200 20 0 CGADHM Cc1cccc([C@H](C)Sc2cc(-c3nnn[n-]3)ccn2)c1 ZINC000822289349 599125151 /nfs/dbraw/zinc/12/51/51/599125151.db2.gz WDQFXNLWFOBFJE-NSHDSACASA-N -1 3 297.387 3.423 20 0 CGADHM Cc1cccc([C@H](C)Sc2cc(-c3nn[n-]n3)ccn2)c1 ZINC000822289349 599125152 /nfs/dbraw/zinc/12/51/52/599125152.db2.gz WDQFXNLWFOBFJE-NSHDSACASA-N -1 3 297.387 3.423 20 0 CGADHM CCc1ccccc1NCc1cc(-c2nnn[n-]2)cs1 ZINC000821495982 607308113 /nfs/dbraw/zinc/30/81/13/607308113.db2.gz AAMYZFZGMYBSOP-UHFFFAOYSA-N -1 3 285.376 3.103 20 0 CGADHM CCc1ccccc1NCc1cc(-c2nn[n-]n2)cs1 ZINC000821495982 607308114 /nfs/dbraw/zinc/30/81/14/607308114.db2.gz AAMYZFZGMYBSOP-UHFFFAOYSA-N -1 3 285.376 3.103 20 0 CGADHM C/C(=C/CN1CCCC[C@H]1c1ccc(C)o1)C(=O)[O-] ZINC000825740727 601172170 /nfs/dbraw/zinc/17/21/70/601172170.db2.gz AKRVWNJLIPTLNJ-ZWXCPPHNSA-N -1 3 263.337 3.146 20 0 CGADHM C[C@H](Nc1ccc(F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820455391 599362877 /nfs/dbraw/zinc/36/28/77/599362877.db2.gz ICPAIRDPDNHGCS-JTQLQIEISA-N -1 3 283.310 3.179 20 0 CGADHM C[C@H](Nc1ccc(F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820455391 599362879 /nfs/dbraw/zinc/36/28/79/599362879.db2.gz ICPAIRDPDNHGCS-JTQLQIEISA-N -1 3 283.310 3.179 20 0 CGADHM C[C@H](Nc1ccc(F)cc1-c1nnn[n-]1)c1cccs1 ZINC000820455094 599464539 /nfs/dbraw/zinc/46/45/39/599464539.db2.gz CPCKHPAQJGRZKE-QMMMGPOBSA-N -1 3 289.339 3.240 20 0 CGADHM C[C@H](Nc1ccc(F)cc1-c1nn[n-]n1)c1cccs1 ZINC000820455094 599464540 /nfs/dbraw/zinc/46/45/40/599464540.db2.gz CPCKHPAQJGRZKE-QMMMGPOBSA-N -1 3 289.339 3.240 20 0 CGADHM Cc1cccc(CNc2c(Cl)cccc2-c2nnn[n-]2)c1 ZINC000822303476 599469933 /nfs/dbraw/zinc/46/99/33/599469933.db2.gz BUJFMQGBXMPEHB-UHFFFAOYSA-N -1 3 299.765 3.441 20 0 CGADHM Cc1cccc(CNc2c(Cl)cccc2-c2nn[n-]n2)c1 ZINC000822303476 599469936 /nfs/dbraw/zinc/46/99/36/599469936.db2.gz BUJFMQGBXMPEHB-UHFFFAOYSA-N -1 3 299.765 3.441 20 0 CGADHM Cc1occc1CNc1c(Cl)cccc1-c1nnn[n-]1 ZINC000822554349 599491687 /nfs/dbraw/zinc/49/16/87/599491687.db2.gz YDNZCNNSXFLOHM-UHFFFAOYSA-N -1 3 289.726 3.034 20 0 CGADHM Cc1occc1CNc1c(Cl)cccc1-c1nn[n-]n1 ZINC000822554349 599491689 /nfs/dbraw/zinc/49/16/89/599491689.db2.gz YDNZCNNSXFLOHM-UHFFFAOYSA-N -1 3 289.726 3.034 20 0 CGADHM Clc1cccc(-c2nnn[n-]2)c1NC[C@@H]1CC=CCC1 ZINC000822581744 599498948 /nfs/dbraw/zinc/49/89/48/599498948.db2.gz MWWLQKWDJYPSOV-SNVBAGLBSA-N -1 3 289.770 3.288 20 0 CGADHM Clc1cccc(-c2nn[n-]n2)c1NC[C@@H]1CC=CCC1 ZINC000822581744 599498951 /nfs/dbraw/zinc/49/89/51/599498951.db2.gz MWWLQKWDJYPSOV-SNVBAGLBSA-N -1 3 289.770 3.288 20 0 CGADHM Cc1cccc(NCc2ccccc2-c2nnn[n-]2)c1Cl ZINC000822327827 599691585 /nfs/dbraw/zinc/69/15/85/599691585.db2.gz KPOYUWYKWMUWHT-UHFFFAOYSA-N -1 3 299.765 3.441 20 0 CGADHM Cc1cccc(NCc2ccccc2-c2nn[n-]n2)c1Cl ZINC000822327827 599691586 /nfs/dbraw/zinc/69/15/86/599691586.db2.gz KPOYUWYKWMUWHT-UHFFFAOYSA-N -1 3 299.765 3.441 20 0 CGADHM C/C(=C\CN1CCSC[C@H]1c1ccc(C)cc1)C(=O)[O-] ZINC000825745887 601168750 /nfs/dbraw/zinc/16/87/50/601168750.db2.gz CWOJYQYWHFNRNL-COSNYCCFSA-N -1 3 291.416 3.116 20 0 CGADHM Cc1[n-]n(-c2ccc(F)c(F)c2F)c(=O)c1C(C)C ZINC000899348828 620654305 /nfs/dbraw/zinc/65/43/05/620654305.db2.gz MBOPNRHWAKTHRF-SNVBAGLBSA-N -1 3 270.254 3.099 20 0 CGADHM C[C@H](NCc1ccc(NC(=O)[O-])nc1)c1cccs1 ZINC000825503520 603532307 /nfs/dbraw/zinc/53/23/07/603532307.db2.gz VPLWTICOXUNIIA-VIFPVBQESA-N -1 3 277.349 3.084 20 0 CGADHM C[C@@H](NC[C@H]1CCCN1C(=O)[O-])c1ccc2ccccc2n1 ZINC000825490250 604296084 /nfs/dbraw/zinc/29/60/84/604296084.db2.gz JWQSVFIDVBUSAE-TZMCWYRMSA-N -1 3 299.374 3.028 20 0 CGADHM Cc1cc([C@@H](C)N[C@H](C(=O)[O-])c2cccnc2)ccc1F ZINC000832873294 605007680 /nfs/dbraw/zinc/00/76/80/605007680.db2.gz FTYQNEYDSHZNOB-ABAIWWIYSA-N -1 3 288.322 3.006 20 0 CGADHM O=C([O-])N[C@@H]1C[C@H](NCc2ccccc2)c2ccccc21 ZINC000834159052 605790115 /nfs/dbraw/zinc/79/01/15/605790115.db2.gz QZYLVWXVPWTBEJ-JKSUJKDBSA-N -1 3 282.343 3.230 20 0 CGADHM CC(C)CONC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000124535416 634384846 /nfs/dbraw/zinc/38/48/46/634384846.db2.gz HBVGZGPXIDGFRQ-UHFFFAOYSA-N -1 3 299.370 3.300 20 0 CGADHM Clc1cccc(NCc2ccccc2-c2nn[n-]n2)c1 ZINC000822585734 606632735 /nfs/dbraw/zinc/63/27/35/606632735.db2.gz MELPFFTVSPMBEA-UHFFFAOYSA-N -1 3 285.738 3.132 20 0 CGADHM Clc1cccc(NCc2ccccc2-c2nnn[n-]2)c1 ZINC000822585734 606632734 /nfs/dbraw/zinc/63/27/34/606632734.db2.gz MELPFFTVSPMBEA-UHFFFAOYSA-N -1 3 285.738 3.132 20 0 CGADHM C[C@@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(F)(F)F ZINC000820548901 607231336 /nfs/dbraw/zinc/23/13/36/607231336.db2.gz HXNKLJGLMRVYND-RXMQYKEDSA-N -1 3 292.261 3.049 20 0 CGADHM C[C@@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(F)(F)F ZINC000820548901 607231337 /nfs/dbraw/zinc/23/13/37/607231337.db2.gz HXNKLJGLMRVYND-RXMQYKEDSA-N -1 3 292.261 3.049 20 0 CGADHM CC1(C)CCC[C@@H](C(=O)Nc2ccccc2-c2nnn[n-]2)C1 ZINC000824801696 607920458 /nfs/dbraw/zinc/92/04/58/607920458.db2.gz GRLHYURDYIACLP-LLVKDONJSA-N -1 3 299.378 3.022 20 0 CGADHM CC1(C)CCC[C@@H](C(=O)Nc2ccccc2-c2nn[n-]n2)C1 ZINC000824801696 607920459 /nfs/dbraw/zinc/92/04/59/607920459.db2.gz GRLHYURDYIACLP-LLVKDONJSA-N -1 3 299.378 3.022 20 0 CGADHM CC[C@H](Nc1ccc(-c2nn[n-]n2)cc1)c1c(C)noc1C ZINC000825148577 607936617 /nfs/dbraw/zinc/93/66/17/607936617.db2.gz RCSIXJPNWNSZDW-ZDUSSCGKSA-N -1 3 298.350 3.035 20 0 CGADHM c1ccc(-c2nnn[n-]2)c(CNc2ccc(C3CC3)cc2)c1 ZINC000826520071 608236877 /nfs/dbraw/zinc/23/68/77/608236877.db2.gz ZPCZGXXVFLBFAF-UHFFFAOYSA-N -1 3 291.358 3.356 20 0 CGADHM c1ccc(-c2nn[n-]n2)c(CNc2ccc(C3CC3)cc2)c1 ZINC000826520071 608236878 /nfs/dbraw/zinc/23/68/78/608236878.db2.gz ZPCZGXXVFLBFAF-UHFFFAOYSA-N -1 3 291.358 3.356 20 0 CGADHM C[C@@H]1C[C@@H]1c1ccc(CNc2cccc(-c3nnn[n-]3)c2)o1 ZINC000315742483 608867212 /nfs/dbraw/zinc/86/72/12/608867212.db2.gz OBVSBEGEKVOXQB-YGRLFVJLSA-N -1 3 295.346 3.195 20 0 CGADHM C[C@@H]1C[C@@H]1c1ccc(CNc2cccc(-c3nn[n-]n3)c2)o1 ZINC000315742483 608867218 /nfs/dbraw/zinc/86/72/18/608867218.db2.gz OBVSBEGEKVOXQB-YGRLFVJLSA-N -1 3 295.346 3.195 20 0 CGADHM CCC(F)(F)C(=O)[N-]C(C)(C)c1ccc(F)cc1F ZINC000899646636 620717136 /nfs/dbraw/zinc/71/71/36/620717136.db2.gz JWRZYMAKXCVJKX-UHFFFAOYSA-N -1 3 277.261 3.361 20 0 CGADHM CCc1cccc(C(=O)Nc2ccc(O)cc2C)c1[O-] ZINC000093095932 617809589 /nfs/dbraw/zinc/80/95/89/617809589.db2.gz BBXRSBAKFANKRS-UHFFFAOYSA-N -1 3 271.316 3.221 20 0 CGADHM COc1cccc([O-])c1C(=O)N(C)C[C@@H](C)c1ccccc1 ZINC000900525285 620792817 /nfs/dbraw/zinc/79/28/17/620792817.db2.gz CCUXSFOBNAUUTJ-CYBMUJFWSA-N -1 3 299.370 3.277 20 0 CGADHM CCCCCCOc1ccc(CC(=O)[N-]OCC)cc1 ZINC000065043614 618315323 /nfs/dbraw/zinc/31/53/23/618315323.db2.gz WBALHZKZDICOBB-UHFFFAOYSA-N -1 3 279.380 3.256 20 0 CGADHM [O-]c1ccc(CN2CCO[C@H](c3cccs3)C2)cc1F ZINC000891824775 618319123 /nfs/dbraw/zinc/31/91/23/618319123.db2.gz FINHZWITNVXNFW-AWEZNQCLSA-N -1 3 293.363 3.166 20 0 CGADHM Cc1ccc(C)c(NC=C2C(=O)[N-]C(=O)c3ccccc32)c1 ZINC000255563539 618683585 /nfs/dbraw/zinc/68/35/85/618683585.db2.gz LKDYRCXSGLTYAO-GDNBJRDFSA-N -1 3 292.338 3.026 20 0 CGADHM C[C@@H]1C[C@@H](C(=O)[O-])CN(Cc2ccc(Cl)c(F)c2)C1 ZINC000263101585 618754219 /nfs/dbraw/zinc/75/42/19/618754219.db2.gz BAPWRICVMFTEFB-MWLCHTKSSA-N -1 3 285.746 3.022 20 0 CGADHM CC(=O)CCCCCCC(=O)[N-]OCc1ccccc1 ZINC000147476608 618773051 /nfs/dbraw/zinc/77/30/51/618773051.db2.gz IKNKIUARRYLVMI-UHFFFAOYSA-N -1 3 277.364 3.164 20 0 CGADHM CCn1ncc(N[C@@H](C)c2cc([O-])cc(F)c2)c1C ZINC000926838722 618925006 /nfs/dbraw/zinc/92/50/06/618925006.db2.gz GQSHBEUXGBQDSV-VIFPVBQESA-N -1 3 263.316 3.229 20 0 CGADHM C[C@H]1C[C@@H]1C(=O)COC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000909335348 619150682 /nfs/dbraw/zinc/15/06/82/619150682.db2.gz NLEHQZSPZAEIHA-XPUUQOCRSA-N -1 3 297.763 3.265 20 0 CGADHM CO[C@H]1Cc2ccc(NCc3ccc([O-])c(F)c3)cc2C1 ZINC000893520970 619201867 /nfs/dbraw/zinc/20/18/67/619201867.db2.gz MFTISGGQXFJCCE-HNNXBMFYSA-N -1 3 287.334 3.257 20 0 CGADHM CC[C@@]1(C(=O)[O-])CCCN(Cc2cc(F)cc(F)c2)C1 ZINC000097904025 619302436 /nfs/dbraw/zinc/30/24/36/619302436.db2.gz IBGJOIGPXSYOJO-OAHLLOKOSA-N -1 3 283.318 3.042 20 0 CGADHM O=C(COC1CCCCC1)Nc1cc(Cl)ccc1[O-] ZINC000067145417 619376615 /nfs/dbraw/zinc/37/66/15/619376615.db2.gz ALQWFYSZDMIQEJ-UHFFFAOYSA-N -1 3 283.755 3.333 20 0 CGADHM Cc1ccc(-c2nc([C@H]3CC3(Cl)Cl)no2)c([O-])c1 ZINC000896807789 620065689 /nfs/dbraw/zinc/06/56/89/620065689.db2.gz ZQTSYWJXUUGVFJ-MRVPVSSYSA-N -1 3 285.130 3.412 20 0 CGADHM CC[C@H](C)CCCCC(=O)[N-]OCc1ccccn1 ZINC000909542215 620083215 /nfs/dbraw/zinc/08/32/15/620083215.db2.gz SMEBXJOEAMBONA-ZDUSSCGKSA-N -1 3 264.369 3.236 20 0 CGADHM CC[C@@H](C)CCCCC(=O)[N-]OCc1ccccn1 ZINC000909542214 620083364 /nfs/dbraw/zinc/08/33/64/620083364.db2.gz SMEBXJOEAMBONA-CYBMUJFWSA-N -1 3 264.369 3.236 20 0 CGADHM CCCN(Cc1ccccc1)C(=O)c1ccc(N)cc1[O-] ZINC000751471355 620183825 /nfs/dbraw/zinc/18/38/25/620183825.db2.gz UNRCQAGCCUWOCJ-UHFFFAOYSA-N -1 3 284.359 3.027 20 0 CGADHM COC[C@@H](N[C@@H](C)c1cc([O-])cc(F)c1)c1ccc(C)o1 ZINC000925205149 620229424 /nfs/dbraw/zinc/22/94/24/620229424.db2.gz OALZCJCLSNWYHZ-XHDPSFHLSA-N -1 3 293.338 3.471 20 0 CGADHM CCCC[C@@H](CC)CC(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000898213102 620488132 /nfs/dbraw/zinc/48/81/32/620488132.db2.gz SUGISBAENDJPMA-OLZOCXBDSA-N -1 3 293.411 3.038 20 0 CGADHM CC[C@@H](C)CCCCC(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000898217189 620488688 /nfs/dbraw/zinc/48/86/88/620488688.db2.gz FRMKPNXVGNROLZ-OLZOCXBDSA-N -1 3 293.411 3.038 20 0 CGADHM Cc1cccc(CO[N-]C(=O)CCC[Si](C)(C)C)n1 ZINC000898929743 620609184 /nfs/dbraw/zinc/60/91/84/620609184.db2.gz AAPLTWOCEOYHLQ-UHFFFAOYSA-N -1 3 280.444 3.056 20 0 CGADHM C/C(=C(/F)C(=O)Nc1cc(F)ccc1[O-])C1CC1 ZINC000901221328 620846499 /nfs/dbraw/zinc/84/64/99/620846499.db2.gz HSCVVTRATYRINX-GHXNOFRVSA-N -1 3 253.248 3.123 20 0 CGADHM Cc1cc(CNCc2ccc(CC(=O)[O-])cc2)c(C)s1 ZINC000901539029 620919392 /nfs/dbraw/zinc/91/93/92/620919392.db2.gz DRAJJPFOMPUPQA-UHFFFAOYSA-N -1 3 289.400 3.282 20 0 CGADHM C[C@@H](N[C@@H](CCC(=O)[O-])c1ccccc1)c1ccccn1 ZINC000901648674 620963350 /nfs/dbraw/zinc/96/33/50/620963350.db2.gz RWHYNSROXUEKBP-CJNGLKHVSA-N -1 3 284.359 3.338 20 0 CGADHM Cc1ccc(CCN[C@H](C)c2ncc(C(=O)[O-])s2)cc1 ZINC000901908585 621066800 /nfs/dbraw/zinc/06/68/00/621066800.db2.gz VOEJXVOWMCBEIJ-LLVKDONJSA-N -1 3 290.388 3.043 20 0 CGADHM O=C([O-])c1cc(CN[C@@H]2CCc3ccc(F)cc32)cs1 ZINC000902236184 621205593 /nfs/dbraw/zinc/20/55/93/621205593.db2.gz OZFZHQUWUDHDMC-CYBMUJFWSA-N -1 3 291.347 3.363 20 0 CGADHM COc1ccc(CNCc2cc(C(=O)[O-])cs2)c(C)c1 ZINC000902269313 621233966 /nfs/dbraw/zinc/23/39/66/621233966.db2.gz NUAFAQSPNZPRRE-UHFFFAOYSA-N -1 3 291.372 3.053 20 0 CGADHM O=C([O-])c1ccc(CN2CCC[C@@H](CF)C2)cc1Cl ZINC000902297253 621243382 /nfs/dbraw/zinc/24/33/82/621243382.db2.gz JWZXSWATBTUOTJ-NSHDSACASA-N -1 3 285.746 3.220 20 0 CGADHM O=C([O-])/C=C\c1ccc(CN[C@H]2CCCC(F)(F)C2)o1 ZINC000902306756 621247687 /nfs/dbraw/zinc/24/76/87/621247687.db2.gz DMDVAKKXERQSRQ-OMMCCPJFSA-N -1 3 285.290 3.045 20 0 CGADHM C[C@H](CN(C)Cc1cc(C(=O)[O-])no1)C1CCCCC1 ZINC000902324513 621261568 /nfs/dbraw/zinc/26/15/68/621261568.db2.gz FTPGEZWNFDXUOK-LLVKDONJSA-N -1 3 280.368 3.021 20 0 CGADHM Cc1cccc2c1CCC[C@H]2NCc1ccoc1C(=O)[O-] ZINC000902467218 621338420 /nfs/dbraw/zinc/33/84/20/621338420.db2.gz UQSQHCSPDCPQMU-OAHLLOKOSA-N -1 3 285.343 3.453 20 0 CGADHM C[C@H](c1ncc(C(C)(C)C)o1)N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC000903629356 621778468 /nfs/dbraw/zinc/77/84/68/621778468.db2.gz BQCHOINXGWCGLT-IJLUTSLNSA-N -1 3 294.395 3.076 20 0 CGADHM O=C([O-])c1ccc(CN[C@@H](c2cccnc2)C2CC2)s1 ZINC000903682741 621788096 /nfs/dbraw/zinc/78/80/96/621788096.db2.gz YJOFWOQYIHJNMJ-CQSZACIVSA-N -1 3 288.372 3.082 20 0 CGADHM O=C([O-])c1cncc(CN2CCC3(CCCCC3)CC2)c1 ZINC000903890059 621823079 /nfs/dbraw/zinc/82/30/79/621823079.db2.gz UOFHTGOLNRNSOS-UHFFFAOYSA-N -1 3 288.391 3.326 20 0 CGADHM C/C(=C\CN1CC=C(c2cccc(C)c2C)CC1)C(=O)[O-] ZINC000903962283 621837857 /nfs/dbraw/zinc/83/78/57/621837857.db2.gz CRYACVFJVCFMCM-VGOFMYFVSA-N -1 3 285.387 3.423 20 0 CGADHM CC[C@@H](C)NC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000905019633 622028572 /nfs/dbraw/zinc/02/85/72/622028572.db2.gz ZAHHNCJOBYKQAJ-MRVPVSSYSA-N -1 3 299.396 3.018 20 0 CGADHM Cc1cc(F)c(CNC2CCC(CC(=O)[O-])CC2)c(F)c1 ZINC000905756482 622106886 /nfs/dbraw/zinc/10/68/86/622106886.db2.gz OPFKAGFOEKDYHB-UHFFFAOYSA-N -1 3 297.345 3.396 20 0 CGADHM Cc1ccc(C(=O)NN=C2C3CC4CC(C3)CC2C4)c([O-])c1 ZINC000054885437 622799788 /nfs/dbraw/zinc/79/97/88/622799788.db2.gz DGIAUELNIQTYTO-UHFFFAOYSA-N -1 3 298.386 3.243 20 0 CGADHM Cc1cc([C@H](C)[N-]C(=O)C(F)(F)C(F)F)c(C)s1 ZINC000226604514 622983205 /nfs/dbraw/zinc/98/32/05/622983205.db2.gz ZRCGYVALYTZDTQ-LURJTMIESA-N -1 3 283.290 3.443 20 0 CGADHM CC[C@@]1(C(=O)[O-])CCCN(Cc2ccc(Cl)s2)C1 ZINC000062877666 623274526 /nfs/dbraw/zinc/27/45/26/623274526.db2.gz OSHHGFWCOWLIOR-CYBMUJFWSA-N -1 3 287.812 3.478 20 0 CGADHM O=C(OC[C@@H]1CCC(F)(F)C1)c1cc2occc2[n-]1 ZINC000837681438 624035525 /nfs/dbraw/zinc/03/55/25/624035525.db2.gz JQISYTFABNNBNR-MRVPVSSYSA-N -1 3 269.247 3.353 20 0 CGADHM C[C@@H](OC(=O)c1ccc([O-])cc1)c1cccc(F)c1 ZINC000918852201 624378859 /nfs/dbraw/zinc/37/88/59/624378859.db2.gz DWQPAYVYJZSYRA-SNVBAGLBSA-N -1 3 260.264 3.449 20 0 CGADHM Cc1ccc(-c2cc(C(=O)OC3CCSCC3)n[n-]2)o1 ZINC000873559692 634424163 /nfs/dbraw/zinc/42/41/63/634424163.db2.gz VINZWKURMCADNT-UHFFFAOYSA-N -1 3 292.360 3.031 20 0 CGADHM Cc1ccc(-c2cc(C(=O)OC3CCSCC3)[n-]n2)o1 ZINC000873559692 634424176 /nfs/dbraw/zinc/42/41/76/634424176.db2.gz VINZWKURMCADNT-UHFFFAOYSA-N -1 3 292.360 3.031 20 0 CGADHM CCCCSCCC(=O)[N-]Oc1ccccc1 ZINC000773465438 625903849 /nfs/dbraw/zinc/90/38/49/625903849.db2.gz DVDUVDDYTQULKK-UHFFFAOYSA-N -1 3 253.367 3.020 20 0 CGADHM CC(C)CSCCCOC(=O)c1ccc([O-])cc1 ZINC000751616975 626399070 /nfs/dbraw/zinc/39/90/70/626399070.db2.gz BPFLNYKLFKUPPK-UHFFFAOYSA-N -1 3 268.378 3.328 20 0 CGADHM COc1cc(C(=O)OCCC(C)(C)C)cc(OC)c1[O-] ZINC000754266613 626565323 /nfs/dbraw/zinc/56/53/23/626565323.db2.gz GIJJRMITWGEVAW-UHFFFAOYSA-N -1 3 282.336 3.002 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)[C@@]1(C)C[C@@H]1c1ccccc1 ZINC000839777047 626787629 /nfs/dbraw/zinc/78/76/29/626787629.db2.gz QIYWXZYVIIRHQU-XPKDYRNWSA-N -1 3 261.365 3.274 20 0 CGADHM CCC/C=C\C(=O)Nc1cc(Br)ccc1[O-] ZINC000759709675 626917227 /nfs/dbraw/zinc/91/72/27/626917227.db2.gz XXJIMHSSEHHZMF-PLNGDYQASA-N -1 3 284.153 3.450 20 0 CGADHM Cc1cc(=O)[n-]c(CSc2c(F)cc(F)cc2F)n1 ZINC000761865478 627068677 /nfs/dbraw/zinc/06/86/77/627068677.db2.gz SNQDOGRQIOUALQ-UHFFFAOYSA-N -1 3 286.278 3.200 20 0 CGADHM Cc1cc(=O)[n-]c(CN2CC[C@@H](C)C[C@@H]2c2ccco2)n1 ZINC000761887917 627072574 /nfs/dbraw/zinc/07/25/74/627072574.db2.gz RJDLNCKRZNBAGG-DGCLKSJQSA-N -1 3 287.363 3.057 20 0 CGADHM CCOC(=O)c1ccc(NC(=O)C=C2CCCC2)c([O-])c1 ZINC000762804949 627125264 /nfs/dbraw/zinc/12/52/64/627125264.db2.gz KWZHGBRAYMTFGS-UHFFFAOYSA-N -1 3 289.331 3.008 20 0 CGADHM O=c1ccnc(C=Cc2cnn(-c3ccc(Cl)cc3)c2)[n-]1 ZINC000764436826 627207262 /nfs/dbraw/zinc/20/72/62/627207262.db2.gz UELPCWZNYLZLBX-BHQIHCQQSA-N -1 3 298.733 3.192 20 0 CGADHM CC1(C)Cc2cc(C=Cc3nccc(=O)[n-]3)ccc2O1 ZINC000764434001 627207639 /nfs/dbraw/zinc/20/76/39/627207639.db2.gz IHDIKLSTSRESOF-XQRVVYSFSA-N -1 3 268.316 3.066 20 0 CGADHM O=C(c1ccc([O-])cc1)C1CCN(Cc2ccoc2)CC1 ZINC000768225677 627469200 /nfs/dbraw/zinc/46/92/00/627469200.db2.gz LKMAMRGUXZHSEU-UHFFFAOYSA-N -1 3 285.343 3.080 20 0 CGADHM O=C(OCCCC1CCOCC1)c1cccc(Cl)c1[O-] ZINC000790662486 627570463 /nfs/dbraw/zinc/57/04/63/627570463.db2.gz LDLFMXQDBUTAOC-UHFFFAOYSA-N -1 3 298.766 3.409 20 0 CGADHM CCCc1nc(C)c(C(=O)[N-]c2nc(C(C)C)ns2)o1 ZINC000874693788 634593189 /nfs/dbraw/zinc/59/31/89/634593189.db2.gz RCPFBMWDFWZYNR-UHFFFAOYSA-N -1 3 294.380 3.163 20 0 CGADHM O=C(OC1CCCC1)c1cc(F)cc(Cl)c1[O-] ZINC000771985843 627752529 /nfs/dbraw/zinc/75/25/29/627752529.db2.gz ONNPEBYNTGCRND-UHFFFAOYSA-N -1 3 258.676 3.284 20 0 CGADHM Cc1ccc(C)c(C(=O)CCC(=O)[N-]Oc2ccccc2)c1 ZINC000773465713 627886530 /nfs/dbraw/zinc/88/65/30/627886530.db2.gz IEGBWLHEELMQQW-UHFFFAOYSA-N -1 3 297.354 3.377 20 0 CGADHM Cc1ccc(COC(=O)c2cccc(Cl)c2[O-])nc1 ZINC000775933064 628150355 /nfs/dbraw/zinc/15/03/55/628150355.db2.gz FTIPBTXPRWOTKX-UHFFFAOYSA-N -1 3 277.707 3.106 20 0 CGADHM O=C(OCc1ccc(Cl)nc1)c1cccc(Cl)c1[O-] ZINC000775935139 628151362 /nfs/dbraw/zinc/15/13/62/628151362.db2.gz IJFLZKKZHCSBEB-UHFFFAOYSA-N -1 3 298.125 3.451 20 0 CGADHM C[C@H]1CC[C@H](OC(=O)c2cc(-c3ccco3)[n-]n2)C1 ZINC000779257163 628397511 /nfs/dbraw/zinc/39/75/11/628397511.db2.gz BPCVXISWTJSXRQ-UWVGGRQHSA-N -1 3 260.293 3.015 20 0 CGADHM C[C@H]1CC[C@H](OC(=O)c2cc(-c3ccco3)n[n-]2)C1 ZINC000779257163 628397513 /nfs/dbraw/zinc/39/75/13/628397513.db2.gz BPCVXISWTJSXRQ-UWVGGRQHSA-N -1 3 260.293 3.015 20 0 CGADHM Cc1cc(/C=C2/C(=O)[N-]C(=O)c3ccccc32)ccc1Cl ZINC000779714366 628421909 /nfs/dbraw/zinc/42/19/09/628421909.db2.gz YEFQMMBLFBFKAM-NTEUORMPSA-N -1 3 297.741 3.459 20 0 CGADHM Cc1ccc(CC(=O)[N-]OCC2CCCCC2)cc1 ZINC000781618662 628579974 /nfs/dbraw/zinc/57/99/74/628579974.db2.gz YKVCWYAUMNAWSU-UHFFFAOYSA-N -1 3 261.365 3.166 20 0 CGADHM Cc1cc(C=Cc2nccc(=O)[n-]2)cc2cccnc12 ZINC000783711472 628742787 /nfs/dbraw/zinc/74/27/87/628742787.db2.gz YNJOUWDTFLTQDW-PLNGDYQASA-N -1 3 263.300 3.209 20 0 CGADHM O=C(OC/C(Cl)=C/Cl)c1cc2occc2[n-]1 ZINC000786030236 628908890 /nfs/dbraw/zinc/90/88/90/628908890.db2.gz WGBQHSHHRCIKDW-XQRVVYSFSA-N -1 3 260.076 3.237 20 0 CGADHM O=C(OCc1ccc(F)cn1)c1cc(F)cc(Cl)c1[O-] ZINC000787723527 629024872 /nfs/dbraw/zinc/02/48/72/629024872.db2.gz CRBXESACKCHJNI-UHFFFAOYSA-N -1 3 299.660 3.076 20 0 CGADHM O=c1ccnc(C=Cc2cnc(-c3ccco3)s2)[n-]1 ZINC000789141392 629107619 /nfs/dbraw/zinc/10/76/19/629107619.db2.gz DRGZWPSTNJYQMC-ARJAWSKDSA-N -1 3 271.301 3.069 20 0 CGADHM O=c1ccnc(C=Cc2ccc(OCC3CC3)cc2)[n-]1 ZINC000790218786 629195144 /nfs/dbraw/zinc/19/51/44/629195144.db2.gz CCONIIAVHPLVCP-YVMONPNESA-N -1 3 268.316 3.141 20 0 CGADHM O=C(Nc1ncccc1[O-])[C@@H](F)CC1CCCCC1 ZINC000793801272 629502288 /nfs/dbraw/zinc/50/22/88/629502288.db2.gz VTYDCZIMNNVYTB-NSHDSACASA-N -1 3 266.316 3.034 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)Cc1ccc(OCC(C)C)cc1 ZINC000794842874 629587132 /nfs/dbraw/zinc/58/71/32/629587132.db2.gz NQWCAQRQUKGKKB-AWEZNQCLSA-N -1 3 293.407 3.358 20 0 CGADHM CCc1ccccc1[C@@H](CC(=O)[O-])NCc1ccoc1 ZINC000864528116 629854838 /nfs/dbraw/zinc/85/48/38/629854838.db2.gz LYVZBOOMEHVPFQ-OAHLLOKOSA-N -1 3 273.332 3.148 20 0 CGADHM CS[C@H](C)[C@@H](C)OC(=O)c1cc(-c2ccc(C)o2)[n-]n1 ZINC000797188519 629905435 /nfs/dbraw/zinc/90/54/35/629905435.db2.gz RRWPRZHHNKCUDM-NXEZZACHSA-N -1 3 294.376 3.275 20 0 CGADHM CS[C@H](C)[C@@H](C)OC(=O)c1cc(-c2ccc(C)o2)n[n-]1 ZINC000797188519 629905437 /nfs/dbraw/zinc/90/54/37/629905437.db2.gz RRWPRZHHNKCUDM-NXEZZACHSA-N -1 3 294.376 3.275 20 0 CGADHM O=C(OCc1ccc(Cl)s1)c1ccc([O-])cc1 ZINC000797546507 629957499 /nfs/dbraw/zinc/95/74/99/629957499.db2.gz DULKWVIEBNMCIB-UHFFFAOYSA-N -1 3 268.721 3.464 20 0 CGADHM CCC[C@@H](OC(=O)c1cc2ccsc2[n-]1)C(=O)OCC ZINC000801815022 630356725 /nfs/dbraw/zinc/35/67/25/630356725.db2.gz BQRPKIGFLWKLJK-LLVKDONJSA-N -1 3 295.360 3.118 20 0 CGADHM O=C(O[C@@H]1CCc2cc(Cl)ccc21)c1cncc([O-])c1 ZINC000803347948 630466201 /nfs/dbraw/zinc/46/62/01/630466201.db2.gz UYQWDQUBBQZTNA-CQSZACIVSA-N -1 3 289.718 3.285 20 0 CGADHM Cc1c(NC(=O)c2cc([O-])ccc2Cl)n[nH]c1C1CC1 ZINC000810268191 630862207 /nfs/dbraw/zinc/86/22/07/630862207.db2.gz BLCKCLYQWRRNDQ-UHFFFAOYSA-N -1 3 291.738 3.207 20 0 CGADHM O=C(OCC1CC1)c1cc2cc(Cl)sc2[n-]1 ZINC000810539140 630887432 /nfs/dbraw/zinc/88/74/32/630887432.db2.gz JFPAUQIWQDYZLP-UHFFFAOYSA-N -1 3 255.726 3.450 20 0 CGADHM COCCCCOC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000810544130 630889678 /nfs/dbraw/zinc/88/96/78/630889678.db2.gz WHEFQJKCKRUYEV-UHFFFAOYSA-N -1 3 287.768 3.466 20 0 CGADHM CSCCOC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000810601135 630902163 /nfs/dbraw/zinc/90/21/63/630902163.db2.gz MCLSYOPJSNSGGB-UHFFFAOYSA-N -1 3 275.782 3.403 20 0 CGADHM Cc1oc2ccccc2c1CC(=O)[N-]OC/C=C/Cl ZINC000812401235 631246091 /nfs/dbraw/zinc/24/60/91/631246091.db2.gz IJOLHQPDHVOQQV-QPJJXVBHSA-N -1 3 279.723 3.084 20 0 CGADHM Cc1cc(C)cc(CCC(=O)[N-]OC/C=C\Cl)c1 ZINC000812406899 631247030 /nfs/dbraw/zinc/24/70/30/631247030.db2.gz FDMCSKTWVACIER-UTCJRWHESA-N -1 3 267.756 3.036 20 0 CGADHM Cc1cccc(OCCCCC(=O)[N-]OC2CCC2)c1 ZINC000812791392 631310906 /nfs/dbraw/zinc/31/09/06/631310906.db2.gz VHFBYGKLYADLGU-UHFFFAOYSA-N -1 3 277.364 3.144 20 0 CGADHM CC(C)OCCO[N-]C(=O)CCCCC(C)(C)C ZINC000812810225 631317947 /nfs/dbraw/zinc/31/79/47/631317947.db2.gz UEMWJWOKRDGEBD-UHFFFAOYSA-N -1 3 259.390 3.066 20 0 CGADHM CCc1ccc([C@@H](C)CC(=O)[N-]OCCOC(C)C)cc1 ZINC000812808855 631318275 /nfs/dbraw/zinc/31/82/75/631318275.db2.gz LSXNCMLIBVOKNI-AWEZNQCLSA-N -1 3 293.407 3.215 20 0 CGADHM COc1cccc(-c2noc([N-]Cc3occc3C)n2)c1 ZINC000813623937 631446480 /nfs/dbraw/zinc/44/64/80/631446480.db2.gz LKKTUBGOKAEJBD-UHFFFAOYSA-N -1 3 285.303 3.259 20 0 CGADHM COCC(C)(C)CNC(=O)c1cc2sccc2c([O-])c1 ZINC000816982526 632069927 /nfs/dbraw/zinc/06/99/27/632069927.db2.gz HBNOEUMJWGVUAX-UHFFFAOYSA-N -1 3 293.388 3.009 20 0 CGADHM O=C(CCc1cccc(C(F)(F)F)c1)[N-]OCC1CC1 ZINC000817339509 632127233 /nfs/dbraw/zinc/12/72/33/632127233.db2.gz MDNSBCCMKGCVPL-UHFFFAOYSA-N -1 3 287.281 3.096 20 0 CGADHM CC1(C)CCC[C@@H](CC(=O)[N-]OCCC2CC2)C1 ZINC000817421134 632148086 /nfs/dbraw/zinc/14/80/86/632148086.db2.gz OYXKNIVXWVPGGE-ZDUSSCGKSA-N -1 3 253.386 3.441 20 0 CGADHM C[C@@H](CCc1ccccc1F)C(=O)[N-]OCCC1CC1 ZINC000817441650 632159584 /nfs/dbraw/zinc/15/95/84/632159584.db2.gz JKGOAAXZNDWRBU-LBPRGKRZSA-N -1 3 279.355 3.242 20 0 CGADHM O=C(CCSc1ccccc1)[N-]OCCC1CC1 ZINC000817446179 632160770 /nfs/dbraw/zinc/16/07/70/632160770.db2.gz JIUHFAPDEGNFJI-UHFFFAOYSA-N -1 3 265.378 3.017 20 0 CGADHM C[C@@H]1CCN(C(=O)c2ccc(N)cc2[O-])[C@H]2CCCC[C@@H]12 ZINC000817920925 632235366 /nfs/dbraw/zinc/23/53/66/632235366.db2.gz YKLOJIDRLUUMRW-ZLDLUXBVSA-N -1 3 288.391 3.015 20 0 CGADHM CN(C(=O)c1ccc(N)cc1[O-])C1CCC(C)(C)CC1 ZINC000817944872 632242490 /nfs/dbraw/zinc/24/24/90/632242490.db2.gz OCIFJJLCHSBVQZ-UHFFFAOYSA-N -1 3 276.380 3.015 20 0 CGADHM CCN(C(=O)c1ccc(N)cc1[O-])[C@@H]1CCCC[C@H]1C ZINC000817997059 632275838 /nfs/dbraw/zinc/27/58/38/632275838.db2.gz RAOVPXJNNOTKLS-BXUZGUMPSA-N -1 3 276.380 3.015 20 0 CGADHM CCCO[N-]C(=O)CCc1ccc(-c2ccccc2)[nH]1 ZINC000844083540 635817398 /nfs/dbraw/zinc/81/73/98/635817398.db2.gz NGAILONBMYTJGM-UHFFFAOYSA-N -1 3 272.348 3.072 20 0 CGADHM CC/C(C)=C/C(=O)Nc1ccc(Br)cc1[O-] ZINC000822495371 632948901 /nfs/dbraw/zinc/94/89/01/632948901.db2.gz HBUOQHPFNGSJFV-SOFGYWHQSA-N -1 3 284.153 3.450 20 0 CGADHM CCc1ccc([O-])c(C(=O)N(C)OCc2ccccc2)c1 ZINC000121212097 633240905 /nfs/dbraw/zinc/24/09/05/633240905.db2.gz XJJZOIBNOJPYQV-UHFFFAOYSA-N -1 3 285.343 3.158 20 0 CGADHM Cc1ccc(NC=C2C(=O)[N-]C(=O)c3ccccc32)c(C)c1 ZINC000016718906 633262007 /nfs/dbraw/zinc/26/20/07/633262007.db2.gz ZKRJBKNJTLNMAJ-XNTDXEJSSA-N -1 3 292.338 3.026 20 0 CGADHM O=C(CCc1cccc2ccccc21)[N-]OCC1CC1 ZINC000868554630 633335999 /nfs/dbraw/zinc/33/59/99/633335999.db2.gz UDRRERNLEXTHSL-UHFFFAOYSA-N -1 3 269.344 3.230 20 0 CGADHM C/C(=C/CN(C)Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000825729698 633378010 /nfs/dbraw/zinc/37/80/10/633378010.db2.gz KXGDHLBCNNLXET-YFHOEESVSA-N -1 3 287.281 3.168 20 0 CGADHM CC(C)(C)C(=O)CCCC(=O)[N-]OCCCC(F)(F)F ZINC000871216566 633730101 /nfs/dbraw/zinc/73/01/01/633730101.db2.gz XRECVZALZUHBJA-UHFFFAOYSA-N -1 3 297.317 3.162 20 0 CGADHM CC[C@@H](C)CCC(=O)[N-]OCCCC(F)(F)F ZINC000871216172 633730883 /nfs/dbraw/zinc/73/08/83/633730883.db2.gz SHXXBYCIYBIFAE-SECBINFHSA-N -1 3 255.280 3.203 20 0 CGADHM CC[C@H](C)N(OC)C(=O)c1cc2sccc2c([O-])c1 ZINC000830474526 633865753 /nfs/dbraw/zinc/86/57/53/633865753.db2.gz MOKGOPYSTGQAIX-VIFPVBQESA-N -1 3 279.361 3.409 20 0 CGADHM CCOc1cccc(F)c1CNCCCC(C)(C)C(=O)[O-] ZINC000871877811 633907107 /nfs/dbraw/zinc/90/71/07/633907107.db2.gz VFEHROXSBCZFHT-UHFFFAOYSA-N -1 3 297.370 3.205 20 0 CGADHM COc1ccc(C)cc1CN[C@@H](C(=O)[O-])c1ccccc1C ZINC000871882601 633910339 /nfs/dbraw/zinc/91/03/39/633910339.db2.gz NORIEKHYRGDIME-QGZVFWFLSA-N -1 3 299.370 3.228 20 0 CGADHM Cc1[n-]n(Cc2c(Cl)cccc2Cl)c(=O)c1F ZINC000871960734 633929240 /nfs/dbraw/zinc/92/92/40/633929240.db2.gz HBGPVTBGPULMPY-SNVBAGLBSA-N -1 3 275.110 3.050 20 0 CGADHM COc1cccc(CN[C@H](C)c2cccc([O-])c2F)c1 ZINC000872018063 633938706 /nfs/dbraw/zinc/93/87/06/633938706.db2.gz INECGOJOPOEAQY-LLVKDONJSA-N -1 3 275.323 3.391 20 0 CGADHM C[C@@H](N[C@H](CO)c1cccc(F)c1)c1cccc([O-])c1F ZINC000872044364 633968321 /nfs/dbraw/zinc/96/83/21/633968321.db2.gz AKOOOQSDNFZLEX-QMTHXVAHSA-N -1 3 293.313 3.055 20 0 CGADHM CCn1ccnc1[C@@H](C)N[C@H](C)c1cccc([O-])c1F ZINC000872076248 633999754 /nfs/dbraw/zinc/99/97/54/633999754.db2.gz KGYRSZOHDLTTDT-GHMZBOCLSA-N -1 3 277.343 3.160 20 0 CGADHM C[C@H](NCc1nnc(C2CC2)s1)c1cccc([O-])c1F ZINC000872079004 634002801 /nfs/dbraw/zinc/00/28/01/634002801.db2.gz GFGAEBPSTAQRDG-QMMMGPOBSA-N -1 3 293.367 3.111 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)C[C@@H]1CSc2ccccc2O1 ZINC000832740636 634089325 /nfs/dbraw/zinc/08/93/25/634089325.db2.gz XGXVUOQHGHBULE-VXGBXAGGSA-N -1 3 295.404 3.024 20 0 CGADHM CCOc1cccc(CNCc2ccc([O-])c(Cl)c2)n1 ZINC000873180003 634272915 /nfs/dbraw/zinc/27/29/15/634272915.db2.gz ZEWSGNGJVRBSPC-UHFFFAOYSA-N -1 3 292.766 3.129 20 0 CGADHM C[C@H]1CC[C@@](C)(C(=O)[N-]OC/C=C/Cl)C1(C)C ZINC000837662373 634961053 /nfs/dbraw/zinc/96/10/53/634961053.db2.gz NSXFIZPQCPHUKQ-BKTFYJLSSA-N -1 3 259.777 3.249 20 0 CGADHM CC(C)(C)CC(=O)[N-]OCc1ccc2ncccc2c1 ZINC000842061489 635271544 /nfs/dbraw/zinc/27/15/44/635271544.db2.gz LTBQCHRXHCVYOX-UHFFFAOYSA-N -1 3 272.348 3.219 20 0 CGADHM CC[C@H](C)CON=C([O-])N=c1s[nH]c2ccccc21 ZINC000879824304 635869564 /nfs/dbraw/zinc/86/95/64/635869564.db2.gz ZZCPNXYDCMJPNO-VIFPVBQESA-N -1 3 279.365 3.396 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)N=c1s[nH]c2ccccc21 ZINC000879824304 635869567 /nfs/dbraw/zinc/86/95/67/635869567.db2.gz ZZCPNXYDCMJPNO-VIFPVBQESA-N -1 3 279.365 3.396 20 0 CGADHM CN(CCc1ccccc1F)Cc1csc(C(=O)[O-])c1 ZINC000846241559 636165344 /nfs/dbraw/zinc/16/53/44/636165344.db2.gz ZFGOKNFAZILPNX-UHFFFAOYSA-N -1 3 293.363 3.260 20 0 CGADHM C[Si](C)(C)CCCC(=O)[N-]OCCC(F)(F)F ZINC000847770400 636442871 /nfs/dbraw/zinc/44/28/71/636442871.db2.gz KYCBZSGCFCKSIB-UHFFFAOYSA-N -1 3 271.355 3.105 20 0 CGADHM Cc1ccc(CN2Cc3ccccc3[C@H](C(=O)[O-])C2)s1 ZINC000087616251 636796153 /nfs/dbraw/zinc/79/61/53/636796153.db2.gz IFUIDLYTKUWGRN-OAHLLOKOSA-N -1 3 287.384 3.241 20 0 CGADHM C[C@@H]1C[C@H]1c1ccc(CCC(=O)[N-]OC2CCCC2)o1 ZINC000135354786 637119980 /nfs/dbraw/zinc/11/99/80/637119980.db2.gz VWACVMOQCQTSDG-BXUZGUMPSA-N -1 3 277.364 3.326 20 0 CGADHM O=C([O-])C1=CC[C@@H](NCc2csc(Cl)c2Cl)C1 ZINC000853038280 637741436 /nfs/dbraw/zinc/74/14/36/637741436.db2.gz SKSNAGJFDUOEJN-MRVPVSSYSA-N -1 3 292.187 3.318 20 0 CGADHM C[C@]1(CC(=O)[N-]Oc2ccccc2)CC1(Cl)Cl ZINC000854537803 638068930 /nfs/dbraw/zinc/06/89/30/638068930.db2.gz SDYGFBBOUIKWMJ-NSHDSACASA-N -1 3 274.147 3.071 20 0 CGADHM CC(C)N1CCC[C@H]1c1nc(-c2ccc([O-])cc2F)no1 ZINC000924007236 638288595 /nfs/dbraw/zinc/28/85/95/638288595.db2.gz ZZBCYEZBHWVERM-ZDUSSCGKSA-N -1 3 291.326 3.127 20 0 CGADHM Cc1ccc(CC(=O)[N-]OCC2CCC2)c(Cl)c1 ZINC000856347737 638347602 /nfs/dbraw/zinc/34/76/02/638347602.db2.gz ARFNFJXFHLKKCU-UHFFFAOYSA-N -1 3 267.756 3.039 20 0 CGADHM C[S@](=O)(=NC(=O)c1cc2occc2[n-]1)C1CCCCC1 ZINC000926013807 638675051 /nfs/dbraw/zinc/67/50/51/638675051.db2.gz KAIJBZBWPXBUPM-HXUWFJFHSA-N -1 3 294.376 3.332 20 0 CGADHM CC[C@H](c1ccc(F)cc1)N1Cc2nc(C)[n-]c(=O)c2C1 ZINC000931318325 639134282 /nfs/dbraw/zinc/13/42/82/639134282.db2.gz MOZIITJPCBVSOS-OAHLLOKOSA-N -1 3 287.338 3.097 20 0 CGADHM O=C([O-])CC1(NCc2ccc(Oc3ccccc3)o2)CC1 ZINC000859806046 639219934 /nfs/dbraw/zinc/21/99/34/639219934.db2.gz KVAJCTJSDTYOPQ-UHFFFAOYSA-N -1 3 287.315 3.169 20 0 CGADHM CC(C)(C)c1ccc(CC[N-]C(=O)C(F)(F)F)cc1 ZINC000202343104 639592548 /nfs/dbraw/zinc/59/25/48/639592548.db2.gz KPYBPVXIFUZCAG-UHFFFAOYSA-N -1 3 273.298 3.205 20 0 CGADHM O=C(CCc1ccc(Cl)c(F)c1)[N-]OCCC1CC1 ZINC000861824757 639616733 /nfs/dbraw/zinc/61/67/33/639616733.db2.gz WTYZBSUEBSQOJX-UHFFFAOYSA-N -1 3 285.746 3.260 20 0 CGADHM O=C(C[C@H]1CC[C@H](C2CC2)O1)Nc1cc(Cl)ccc1[O-] ZINC000935017034 639731600 /nfs/dbraw/zinc/73/16/00/639731600.db2.gz NDESMWPNWXHAKE-BXUZGUMPSA-N -1 3 295.766 3.332 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])[C@@]12CCO[C@@H]1CCCC2 ZINC000935016526 639731862 /nfs/dbraw/zinc/73/18/62/639731862.db2.gz KLDXFGJILJPGDC-HIFRSBDPSA-N -1 3 295.766 3.333 20 0 CGADHM COc1cccc(C[C@@H](C)CC(=O)[N-]OC2CCCC2)c1 ZINC000935238559 639771553 /nfs/dbraw/zinc/77/15/53/639771553.db2.gz DVBLYPZXEWMDCX-CYBMUJFWSA-N -1 3 291.391 3.254 20 0 CGADHM CC(=O)c1cccc(NC(=O)C[C@@H]2CC=CCC2)c1[O-] ZINC000935986620 639877883 /nfs/dbraw/zinc/87/78/83/639877883.db2.gz OOWKIAZQQBKWSH-GFCCVEGCSA-N -1 3 273.332 3.280 20 0 CGADHM O=C([O-])C1CCC(Nc2ccnc3ccccc32)CC1 ZINC000041719888 639907184 /nfs/dbraw/zinc/90/71/84/639907184.db2.gz GPPMBVKRJNZWAR-UHFFFAOYSA-N -1 3 270.332 3.290 20 0 CGADHM CSC1(C/N=C/c2cc(Cl)ccc2[O-])CC1 ZINC000193256945 640445327 /nfs/dbraw/zinc/44/53/27/640445327.db2.gz OYMWHIVANOWHTL-VGOFMYFVSA-N -1 3 255.770 3.360 20 0 CGADHM C[C@@H]1C[C@H](C(=O)[O-])CCN1Cc1sccc1Cl ZINC000304635979 640865944 /nfs/dbraw/zinc/86/59/44/640865944.db2.gz ZXTICBSNHBLWPU-RKDXNWHRSA-N -1 3 273.785 3.087 20 0 CGADHM O=C(Nc1ccc(F)c([O-])c1)c1ccc2[nH]ccc2c1F ZINC001155414855 805580811 /nfs/dbraw/zinc/58/08/11/805580811.db2.gz BIUZXOQPFSQNNH-UHFFFAOYSA-N -1 3 288.253 3.404 20 0 CGADHM O=C(Nc1ccc(F)c([O-])c1)c1cc2cc(O)ccc2o1 ZINC001155668290 805602417 /nfs/dbraw/zinc/60/24/17/805602417.db2.gz BDOZAUSWSCEBRI-UHFFFAOYSA-N -1 3 287.246 3.235 20 0 CGADHM O=c1[nH]cccc1-c1nc2c(cc(F)cc2Cl)[n-]1 ZINC001250522560 805672672 /nfs/dbraw/zinc/67/26/72/805672672.db2.gz TVAOQOSXOPCCGO-UHFFFAOYSA-N -1 3 263.659 3.123 20 0 CGADHM O=c1[nH]cccc1-c1nc2cc(F)cc(Cl)c2[n-]1 ZINC001250522560 805672681 /nfs/dbraw/zinc/67/26/81/805672681.db2.gz TVAOQOSXOPCCGO-UHFFFAOYSA-N -1 3 263.659 3.123 20 0 CGADHM O=c1cc(-c2nc3cc(Cl)cc(F)c3[n-]2)cc[nH]1 ZINC001250533574 805681643 /nfs/dbraw/zinc/68/16/43/805681643.db2.gz MTPOXSGXLQEBCM-UHFFFAOYSA-N -1 3 263.659 3.123 20 0 CGADHM O=c1cc(-c2nc3c(cc(Cl)cc3F)[n-]2)cc[nH]1 ZINC001250533574 805681648 /nfs/dbraw/zinc/68/16/48/805681648.db2.gz MTPOXSGXLQEBCM-UHFFFAOYSA-N -1 3 263.659 3.123 20 0 CGADHM O=c1cc(-c2nc3c(cc(F)c(Cl)c3F)[n-]2)cc[nH]1 ZINC001250534298 805682982 /nfs/dbraw/zinc/68/29/82/805682982.db2.gz ZHEMRBNJIKSCTA-UHFFFAOYSA-N -1 3 281.649 3.262 20 0 CGADHM CC(=O)c1cccc([O-])c1NC(=O)c1ccn2ccccc12 ZINC001156474607 805702340 /nfs/dbraw/zinc/70/23/40/805702340.db2.gz RADFCADLTJGACZ-UHFFFAOYSA-N -1 3 294.310 3.100 20 0 CGADHM CCOc1cccc2[nH]c(-c3cc([O-])cc(F)c3)nc21 ZINC001251569732 805908147 /nfs/dbraw/zinc/90/81/47/805908147.db2.gz LEVMZKJVIBVRSJ-UHFFFAOYSA-N -1 3 272.279 3.473 20 0 CGADHM COc1ccoc1-c1nc2c([n-]1)c(F)c(F)cc2F ZINC001251673779 805919969 /nfs/dbraw/zinc/91/99/69/805919969.db2.gz CCJNIZLLHHBAAP-UHFFFAOYSA-N -1 3 268.194 3.249 20 0 CGADHM COc1ccoc1-c1nc2c([n-]1)c(F)cc(F)c2F ZINC001251673779 805919975 /nfs/dbraw/zinc/91/99/75/805919975.db2.gz CCJNIZLLHHBAAP-UHFFFAOYSA-N -1 3 268.194 3.249 20 0 CGADHM CCC[C@H](O)CNc1cc(Cl)cc(Cl)c1[O-] ZINC001252792433 806117554 /nfs/dbraw/zinc/11/75/54/806117554.db2.gz IGOGQKIEBQULHT-QMMMGPOBSA-N -1 3 264.152 3.272 20 0 CGADHM CCCCS(=O)(=O)[N-]c1ccc2cc(C)ccc2n1 ZINC001253776660 806308298 /nfs/dbraw/zinc/30/82/98/806308298.db2.gz XLFOQROAQRTFOC-UHFFFAOYSA-N -1 3 278.377 3.085 20 0 CGADHM [O-]c1cc(Cl)ccc1-n1cc(-c2ccc(F)cc2)nn1 ZINC001254165215 806357412 /nfs/dbraw/zinc/35/74/12/806357412.db2.gz QZSFEHVWQPVBDA-UHFFFAOYSA-N -1 3 289.697 3.432 20 0 CGADHM Cc1ncc(CNc2ccc3c(c2)[N-]C(=S)C3)s1 ZINC001162162919 806518465 /nfs/dbraw/zinc/51/84/65/806518465.db2.gz GLSNSYQZKBAILN-UHFFFAOYSA-N -1 3 275.402 3.359 20 0 CGADHM Cc1ccc(Nc2ncc(Br)cc2[O-])cc1O ZINC001211688786 814931970 /nfs/dbraw/zinc/93/19/70/814931970.db2.gz WYNDSFSUUYGVGJ-UHFFFAOYSA-N -1 3 295.136 3.307 20 0 CGADHM Cc1cnccc1Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000070488840 798915330 /nfs/dbraw/zinc/91/53/30/798915330.db2.gz VTNTWXBAXZRQER-UHFFFAOYSA-N -1 3 262.696 3.485 20 0 CGADHM C[C@H]1C[C@@H](C(=O)[O-])CN(Cc2ccc(F)cc2Cl)C1 ZINC000263091137 799178969 /nfs/dbraw/zinc/17/89/69/799178969.db2.gz AGGPILAWIALGOS-GXSJLCMTSA-N -1 3 285.746 3.022 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCC(C)(C)C[C@@H]2C)o1 ZINC000358596091 799337142 /nfs/dbraw/zinc/33/71/42/799337142.db2.gz SSIURCPFXHEMSB-JQWIXIFHSA-N -1 3 285.409 3.081 20 0 CGADHM C[C@H](CCC(C)(C)C)NC(=O)c1cc2c(cc1[O-])OCO2 ZINC000436874385 799612151 /nfs/dbraw/zinc/61/21/51/799612151.db2.gz PYWSBEFTWRILOZ-SNVBAGLBSA-N -1 3 293.363 3.066 20 0 CGADHM CC(C)CC[C@@H](N)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000704599170 799938200 /nfs/dbraw/zinc/93/82/00/799938200.db2.gz QFARUWWLAXWSOP-LLVKDONJSA-N -1 3 279.315 3.017 20 0 CGADHM [O-]c1c(F)cccc1-c1ccc2c(c1)OCCCO2 ZINC000707032305 799972173 /nfs/dbraw/zinc/97/21/73/799972173.db2.gz DOXFRLRKJGSKMU-UHFFFAOYSA-N -1 3 260.264 3.360 20 0 CGADHM C[C@@H](c1ccc(C(=O)[O-])o1)N1CC[C@@](C)(C(F)(F)F)C1 ZINC000708923957 799998976 /nfs/dbraw/zinc/99/89/76/799998976.db2.gz FUAMXUTVJGNPOW-QPUJVOFHSA-N -1 3 291.269 3.313 20 0 CGADHM CCCCCCc1nnc(-c2nc(C)ccc2[O-])o1 ZINC001256382798 806878976 /nfs/dbraw/zinc/87/89/76/806878976.db2.gz OWVAPHOCFTWXOQ-UHFFFAOYSA-N -1 3 261.325 3.268 20 0 CGADHM C[C@H]1C[C@H]1c1nnc(-c2ccc([O-])c3ncccc23)o1 ZINC001256649910 806940538 /nfs/dbraw/zinc/94/05/38/806940538.db2.gz XZQAFVNJYRMLSJ-GZMMTYOYSA-N -1 3 267.288 3.114 20 0 CGADHM O=C(CCc1nc2ccccc2s1)[N-]OC/C=C\Cl ZINC001117691043 802478170 /nfs/dbraw/zinc/47/81/70/802478170.db2.gz GVXQCRWCLLLJRD-BAQGIRSFSA-N -1 3 296.779 3.029 20 0 CGADHM Cc1cc(F)c2[nH]ccc2c1-c1ccccc1-c1nnn[n-]1 ZINC001243884896 803062615 /nfs/dbraw/zinc/06/26/15/803062615.db2.gz XYEQIDQOGPXMKK-UHFFFAOYSA-N -1 3 293.305 3.463 20 0 CGADHM Cc1cc(F)c2[nH]ccc2c1-c1ccccc1-c1nn[n-]n1 ZINC001243884896 803062623 /nfs/dbraw/zinc/06/26/23/803062623.db2.gz XYEQIDQOGPXMKK-UHFFFAOYSA-N -1 3 293.305 3.463 20 0 CGADHM Cc1nc2cc(-c3ccccc3-c3nnn[n-]3)ccc2s1 ZINC001243937964 803088678 /nfs/dbraw/zinc/08/86/78/803088678.db2.gz ZPDUBHBJAKXVKD-UHFFFAOYSA-N -1 3 293.355 3.452 20 0 CGADHM Cc1nc2cc(-c3ccccc3-c3nn[n-]n3)ccc2s1 ZINC001243937964 803088685 /nfs/dbraw/zinc/08/86/85/803088685.db2.gz ZPDUBHBJAKXVKD-UHFFFAOYSA-N -1 3 293.355 3.452 20 0 CGADHM COCc1ccc(C)c(-c2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC001244173666 803223632 /nfs/dbraw/zinc/22/36/32/803223632.db2.gz WLDQFVRWOZHBSU-UHFFFAOYSA-N -1 3 298.321 3.128 20 0 CGADHM COCc1ccc(C)c(-c2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC001244173666 803223638 /nfs/dbraw/zinc/22/36/38/803223638.db2.gz WLDQFVRWOZHBSU-UHFFFAOYSA-N -1 3 298.321 3.128 20 0 CGADHM O=C1CCCc2nc(Nc3cccc(F)c3[O-])sc21 ZINC001210195875 814332561 /nfs/dbraw/zinc/33/25/61/814332561.db2.gz MPMLINUVRAEJAM-UHFFFAOYSA-N -1 3 278.308 3.250 20 0 CGADHM [O-]c1ccc(OC(F)(F)F)cc1-c1ccc2nc[nH]c2n1 ZINC001244457215 803378166 /nfs/dbraw/zinc/37/81/66/803378166.db2.gz XQRPBZCZTHEJRS-UHFFFAOYSA-N -1 3 295.220 3.229 20 0 CGADHM [O-]c1ccc(OC(F)(F)F)cc1-c1ccc2nccn2n1 ZINC001244460554 803379836 /nfs/dbraw/zinc/37/98/36/803379836.db2.gz GLEAGZKJDFORNQ-UHFFFAOYSA-N -1 3 295.220 3.001 20 0 CGADHM CN1Cc2cc(-c3ccc(Cl)cc3[O-])ccc2C1=O ZINC001244469200 803386028 /nfs/dbraw/zinc/38/60/28/803386028.db2.gz ANLSWGXEBYDNOM-UHFFFAOYSA-N -1 3 273.719 3.298 20 0 CGADHM NC(=S)c1ccc(-c2ccc(Cl)cc2[O-])cc1 ZINC001244473289 803389286 /nfs/dbraw/zinc/38/92/86/803389286.db2.gz VAWRKLHQKZGYQB-UHFFFAOYSA-N -1 3 263.749 3.347 20 0 CGADHM COc1cc2nc[nH]c2cc1-c1cc(C)c(F)c([O-])c1 ZINC001244516322 803413922 /nfs/dbraw/zinc/41/39/22/803413922.db2.gz SUJYRELVPDAVGJ-UHFFFAOYSA-N -1 3 272.279 3.392 20 0 CGADHM Cc1cc(-c2cccc3c2CNC(=O)N3C)cc([O-])c1F ZINC001244526332 803419868 /nfs/dbraw/zinc/41/98/68/803419868.db2.gz XKLPVDWJCICYBV-UHFFFAOYSA-N -1 3 286.306 3.166 20 0 CGADHM COC(=O)c1cc(-c2cc(C)c([O-])c(Cl)c2)ccn1 ZINC001244538007 803425419 /nfs/dbraw/zinc/42/54/19/803425419.db2.gz ICVPOBIOASRZNS-UHFFFAOYSA-N -1 3 277.707 3.203 20 0 CGADHM Cc1nc(N)ccc1-c1c(F)c([O-])ccc1Cl ZINC001244541572 803429579 /nfs/dbraw/zinc/42/95/79/803429579.db2.gz FHSYIAKPQSMXFY-UHFFFAOYSA-N -1 3 252.676 3.137 20 0 CGADHM COC(=O)Cc1ccc(-c2cc(C)c([O-])c(Cl)c2)cn1 ZINC001244550665 803434352 /nfs/dbraw/zinc/43/43/52/803434352.db2.gz HTWUFBGFUSWPNO-UHFFFAOYSA-N -1 3 291.734 3.132 20 0 CGADHM Cc1cc(-c2ccnc3c2CCN3)cc(Cl)c1[O-] ZINC001244553674 803434929 /nfs/dbraw/zinc/43/49/29/803434929.db2.gz GSJRAJLXDJVAAD-UHFFFAOYSA-N -1 3 260.724 3.384 20 0 CGADHM Nc1nc2ccc(-c3ccc(Cl)c([O-])c3F)cc2[nH]1 ZINC001244631932 803475019 /nfs/dbraw/zinc/47/50/19/803475019.db2.gz AYOJVOOGARZXIS-UHFFFAOYSA-N -1 3 277.686 3.310 20 0 CGADHM CCOc1cc(F)c(F)cc1[N-]c1nonc1C1CC1 ZINC001211800891 814943906 /nfs/dbraw/zinc/94/39/06/814943906.db2.gz JGPRSLCQAKWXRL-UHFFFAOYSA-N -1 3 281.262 3.368 20 0 CGADHM CC(=O)c1ccc(C(=O)Nc2cccc(C)c2C)cc1[O-] ZINC001135881403 803618820 /nfs/dbraw/zinc/61/88/20/803618820.db2.gz ZUFJELLLDSVURZ-UHFFFAOYSA-N -1 3 283.327 3.464 20 0 CGADHM Cc1cc(F)c(CC(=O)[N-]OCc2ccccc2)cc1F ZINC001136106930 803631100 /nfs/dbraw/zinc/63/11/00/803631100.db2.gz ZKMICHNEDKISKR-UHFFFAOYSA-N -1 3 291.297 3.064 20 0 CGADHM Cc1c[nH]c2nc(-c3ccc([O-])cc3Cl)ncc12 ZINC001245077930 803633771 /nfs/dbraw/zinc/63/37/71/803633771.db2.gz JRWXBWVGLVYIBT-UHFFFAOYSA-N -1 3 259.696 3.244 20 0 CGADHM Cc1nc(C)c(F)c(-c2ccc([O-])cc2Cl)n1 ZINC001245079123 803635040 /nfs/dbraw/zinc/63/50/40/803635040.db2.gz LZBNLMPFVRYFGF-UHFFFAOYSA-N -1 3 252.676 3.259 20 0 CGADHM Cc1nc2[nH]ccc2c(-c2ccc([O-])cc2Cl)n1 ZINC001245081338 803636335 /nfs/dbraw/zinc/63/63/35/803636335.db2.gz FHFSYRGFSOQHJM-UHFFFAOYSA-N -1 3 259.696 3.244 20 0 CGADHM Cc1cccc([O-])c1C(=O)NCCO[C@@H]1CCCC[C@@H]1C ZINC001136266582 803638094 /nfs/dbraw/zinc/63/80/94/803638094.db2.gz VOIXGZQNIANIBQ-SWLSCSKDSA-N -1 3 291.391 3.026 20 0 CGADHM Cc1cc(Cl)ccc1-c1ccc(Cc2nnn[n-]2)cc1 ZINC001245086377 803638732 /nfs/dbraw/zinc/63/87/32/803638732.db2.gz LMHXMDCBQAYSAR-UHFFFAOYSA-N -1 3 284.750 3.419 20 0 CGADHM Cc1cc(Cl)ccc1-c1ccc(Cc2nn[n-]n2)cc1 ZINC001245086377 803638739 /nfs/dbraw/zinc/63/87/39/803638739.db2.gz LMHXMDCBQAYSAR-UHFFFAOYSA-N -1 3 284.750 3.419 20 0 CGADHM CCC[C@H]1CCCC[C@H]1NC(=O)c1ccc(OC)cc1[O-] ZINC001136622919 803648494 /nfs/dbraw/zinc/64/84/94/803648494.db2.gz WSKCDRZDDCUFGG-SWLSCSKDSA-N -1 3 291.391 3.490 20 0 CGADHM Fc1ccc([S-])c(C2=CC[C@H](N3CCOCC3)CC2)c1 ZINC001245429757 803735219 /nfs/dbraw/zinc/73/52/19/803735219.db2.gz WDUORPUSQYTYIZ-AWEZNQCLSA-N -1 3 293.407 3.383 20 0 CGADHM Cc1cc(F)c(-c2ccc(-c3nnn[n-]3)c(F)c2)cc1F ZINC001245544149 803802725 /nfs/dbraw/zinc/80/27/25/803802725.db2.gz WSXPUHGRZBJQCS-UHFFFAOYSA-N -1 3 290.248 3.259 20 0 CGADHM Cc1cc(F)c(-c2ccc(-c3nn[n-]n3)c(F)c2)cc1F ZINC001245544149 803802731 /nfs/dbraw/zinc/80/27/31/803802731.db2.gz WSXPUHGRZBJQCS-UHFFFAOYSA-N -1 3 290.248 3.259 20 0 CGADHM Cc1cc(CO)cc(Nc2ccc([O-])c(F)c2F)c1 ZINC001212016566 814968077 /nfs/dbraw/zinc/96/80/77/814968077.db2.gz WMSNOTXGUYUYMF-UHFFFAOYSA-N -1 3 265.259 3.215 20 0 CGADHM Cc1[nH]c(C(=O)Nc2ccc(Cl)cc2[O-])c(C)c1C=O ZINC001138014735 803824980 /nfs/dbraw/zinc/82/49/80/803824980.db2.gz ABCPILZKSPBECI-UHFFFAOYSA-N -1 3 292.722 3.055 20 0 CGADHM COc1c(F)cc(-c2c([O-])cccc2F)cc1F ZINC001245654359 803885430 /nfs/dbraw/zinc/88/54/30/803885430.db2.gz QBSLGXHVJMCLAC-UHFFFAOYSA-N -1 3 254.207 3.485 20 0 CGADHM CC(=O)O[C@H]1Cc2ccc(-c3c([O-])cccc3F)cc2C1 ZINC001245654489 803887228 /nfs/dbraw/zinc/88/72/28/803887228.db2.gz SJWFIUVMYLZEEM-AWEZNQCLSA-N -1 3 286.302 3.229 20 0 CGADHM COC(=O)c1c(C)cc(F)cc1-c1c([O-])cccc1F ZINC001245655186 803888187 /nfs/dbraw/zinc/88/81/87/803888187.db2.gz AVZCGLVNLMFHSN-UHFFFAOYSA-N -1 3 278.254 3.432 20 0 CGADHM CC1(C)C(=O)Nc2cccc(-c3c([O-])cccc3F)c21 ZINC001245657040 803890431 /nfs/dbraw/zinc/89/04/31/803890431.db2.gz OXUBBAWOOHXLJO-UHFFFAOYSA-N -1 3 271.291 3.428 20 0 CGADHM COC(=O)c1cc(C)cc(-c2c([O-])cccc2F)c1 ZINC001245656863 803891013 /nfs/dbraw/zinc/89/10/13/803891013.db2.gz WFEOAWTUYWVSKD-UHFFFAOYSA-N -1 3 260.264 3.293 20 0 CGADHM COC(=O)c1cc2ncoc2c(-c2c([O-])cccc2F)c1 ZINC001245656853 803891404 /nfs/dbraw/zinc/89/14/04/803891404.db2.gz VTJCBWCQLZGNDM-UHFFFAOYSA-N -1 3 287.246 3.126 20 0 CGADHM CCOC(=O)c1c(OC)cccc1-c1c([O-])cccc1F ZINC001245657450 803892772 /nfs/dbraw/zinc/89/27/72/803892772.db2.gz OFSUYVZZTSWCCD-UHFFFAOYSA-N -1 3 290.290 3.384 20 0 CGADHM CCC[C@H](C(=O)c1ccccc1)N(C)Cc1ncccc1[O-] ZINC001138395657 803912698 /nfs/dbraw/zinc/91/26/98/803912698.db2.gz BHBWAAOEVQMZBA-MRXNPFEDSA-N -1 3 298.386 3.271 20 0 CGADHM CCc1cc(-c2cccc(-c3nnn[n-]3)c2)ccc1OC ZINC001245792852 803963939 /nfs/dbraw/zinc/96/39/39/803963939.db2.gz PRBOHORQRAFPQN-UHFFFAOYSA-N -1 3 280.331 3.105 20 0 CGADHM CCc1cc(-c2cccc(-c3nn[n-]n3)c2)ccc1OC ZINC001245792852 803963949 /nfs/dbraw/zinc/96/39/49/803963949.db2.gz PRBOHORQRAFPQN-UHFFFAOYSA-N -1 3 280.331 3.105 20 0 CGADHM CCOc1ccc(-c2ccc(=S)[n-]n2)cc1CC ZINC001245870899 804002694 /nfs/dbraw/zinc/00/26/94/804002694.db2.gz PGEBVZBNYLYFNF-UHFFFAOYSA-N -1 3 260.362 3.393 20 0 CGADHM [O-]c1cccc(CN2C[C@H]3CC[C@@H]2C3)c1Br ZINC001140551116 804458455 /nfs/dbraw/zinc/45/84/55/804458455.db2.gz UYIQZDUGTBUWAQ-GXSJLCMTSA-N -1 3 282.181 3.139 20 0 CGADHM [O-]c1c(F)cc(CN2CCC23CCCC3)cc1F ZINC001140988080 804561474 /nfs/dbraw/zinc/56/14/74/804561474.db2.gz MOBWTADUHBIVCT-UHFFFAOYSA-N -1 3 253.292 3.189 20 0 CGADHM CN(Cc1ccc(F)cc1)Cc1cc(F)c([O-])c(F)c1 ZINC001140989852 804564354 /nfs/dbraw/zinc/56/43/54/804564354.db2.gz XKALHAGZRFTXDH-UHFFFAOYSA-N -1 3 281.277 3.442 20 0 CGADHM CC[C@@H]1CCCC[C@@H]1CNC(=O)c1c([O-])cccc1OC ZINC001141532393 804651230 /nfs/dbraw/zinc/65/12/30/804651230.db2.gz FIJDNQLKVMDHKM-CHWSQXEVSA-N -1 3 291.391 3.347 20 0 CGADHM CC/C=C(/F)C(=O)Nc1ccc(Br)cc1[O-] ZINC001141622599 804657162 /nfs/dbraw/zinc/65/71/62/804657162.db2.gz LRYGPEZCEKMISN-FPYGCLRLSA-N -1 3 288.116 3.357 20 0 CGADHM [O-]c1cc(Cl)c(CN2CC[C@H](F)C2)c(Cl)c1 ZINC001142105645 804694746 /nfs/dbraw/zinc/69/47/46/804694746.db2.gz INERVJIUVDEJFV-ZETCQYMHSA-N -1 3 264.127 3.243 20 0 CGADHM C[C@H]1C[C@H](O)CCN1Cc1c(Cl)cc([O-])cc1Cl ZINC001142115050 804696040 /nfs/dbraw/zinc/69/60/40/804696040.db2.gz VHGNSTRHHGRLHC-DTWKUNHWSA-N -1 3 290.190 3.044 20 0 CGADHM [O-]c1c(F)cc(F)cc1Nc1ncnc2sccc21 ZINC001212477440 815034260 /nfs/dbraw/zinc/03/42/60/815034260.db2.gz FDBFODKFEQGZMX-UHFFFAOYSA-N -1 3 279.271 3.419 20 0 CGADHM COC(=O)c1ccsc1Nc1cc(F)cc(F)c1[O-] ZINC001212478180 815034380 /nfs/dbraw/zinc/03/43/80/815034380.db2.gz ZLHBVWRUCNKVBA-UHFFFAOYSA-N -1 3 285.271 3.262 20 0 CGADHM CC1(C)CCN(Cc2ccc(Cl)cc2C(=O)[O-])C1 ZINC001142657404 804750108 /nfs/dbraw/zinc/75/01/08/804750108.db2.gz YXKKVJLKDYIHJA-UHFFFAOYSA-N -1 3 267.756 3.270 20 0 CGADHM CO[C@H]1CCN(Cc2ccc(Cl)cc2C(=O)[O-])[C@H](C)C1 ZINC001142673120 804753376 /nfs/dbraw/zinc/75/33/76/804753376.db2.gz ZUOSJXHNBVWQMQ-MFKMUULPSA-N -1 3 297.782 3.038 20 0 CGADHM Cc1cc(C)c(-c2noc(Cc3ccc([O-])c(F)c3)n2)cn1 ZINC001247570922 804776985 /nfs/dbraw/zinc/77/69/85/804776985.db2.gz NLCDMMICICUXSS-UHFFFAOYSA-N -1 3 299.305 3.184 20 0 CGADHM O=C(CCCc1ccccc1)Nc1ccc(F)c([O-])c1 ZINC001142886986 804780867 /nfs/dbraw/zinc/78/08/67/804780867.db2.gz KTQOQLGAJDJEFW-UHFFFAOYSA-N -1 3 273.307 3.493 20 0 CGADHM [O-]c1c(F)cc(F)cc1Nc1ccnn1CC1CCC1 ZINC001212483949 815036197 /nfs/dbraw/zinc/03/61/97/815036197.db2.gz AAYTYYQCBIWWHY-UHFFFAOYSA-N -1 3 279.290 3.411 20 0 CGADHM CC(=O)c1cccc(Nc2cc(F)cc(F)c2[O-])c1O ZINC001212489738 815038827 /nfs/dbraw/zinc/03/88/27/815038827.db2.gz YRVRVDHITCIBJH-UHFFFAOYSA-N -1 3 279.242 3.322 20 0 CGADHM C[C@@]1(C(=O)Nc2ccc(F)c([O-])c2)C[C@@H]2C=C[C@H]1C2 ZINC001144278053 804966468 /nfs/dbraw/zinc/96/64/68/804966468.db2.gz USCOWAMYXXXVEF-HFBDOXOYSA-N -1 3 261.296 3.072 20 0 CGADHM CCCN(Cc1c(F)cc([O-])cc1F)C1CCOCC1 ZINC001144561987 805006525 /nfs/dbraw/zinc/00/65/25/805006525.db2.gz SVUBUKZZWUQQMR-UHFFFAOYSA-N -1 3 285.334 3.061 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)Nc1cnc(C2CC2)s1 ZINC001144623718 805014180 /nfs/dbraw/zinc/01/41/80/805014180.db2.gz ROMSSOGFJZBWLF-UHFFFAOYSA-N -1 3 292.335 3.046 20 0 CGADHM CCc1cc(C(=O)Nc2ccc3[nH][n-]c(=O)c3c2)cs1 ZINC001147710996 805145592 /nfs/dbraw/zinc/14/55/92/805145592.db2.gz VBJATFRINNYWIR-UHFFFAOYSA-N -1 3 287.344 3.145 20 0 CGADHM [O-]c1cc(Nc2ccncc2C(F)(F)F)c(F)cc1F ZINC001249590223 805183309 /nfs/dbraw/zinc/18/33/09/805183309.db2.gz OCTINVZPBSDPFW-UHFFFAOYSA-N -1 3 290.191 3.250 20 0 CGADHM COCc1ccc(C(=O)Nc2cc([O-])cc(Cl)c2)cc1 ZINC001148448208 805183992 /nfs/dbraw/zinc/18/39/92/805183992.db2.gz FDCWJNTUSDKEBX-UHFFFAOYSA-N -1 3 291.734 3.444 20 0 CGADHM Cc1ccc(C(=O)N[C@@H]2CCOc3cccc(C)c32)c([O-])c1 ZINC001148505916 805191987 /nfs/dbraw/zinc/19/19/87/805191987.db2.gz KMGCUEWVBAWFFB-CQSZACIVSA-N -1 3 297.354 3.263 20 0 CGADHM CSc1ccncc1[N-]C(=O)c1nc(Cl)sc1C ZINC001148912470 805216218 /nfs/dbraw/zinc/21/62/18/805216218.db2.gz PJTIFUDUUNRNKI-UHFFFAOYSA-N -1 3 299.808 3.474 20 0 CGADHM O=C(Nc1cncc([O-])c1)c1cc2ccccc2nc1Cl ZINC001152400017 805347296 /nfs/dbraw/zinc/34/72/96/805347296.db2.gz MYXSCBXOLNFSKP-UHFFFAOYSA-N -1 3 299.717 3.241 20 0 CGADHM Cc1cccc(C)c1NC(=O)Cc1cccc([O-])c1F ZINC001250008095 805363593 /nfs/dbraw/zinc/36/35/93/805363593.db2.gz SECYSSZMVMLQQW-UHFFFAOYSA-N -1 3 273.307 3.329 20 0 CGADHM Nc1nc2ccccc2n1-c1cc(Cl)c([O-])cc1F ZINC001250020437 805371211 /nfs/dbraw/zinc/37/12/11/805371211.db2.gz KRRLLWZAJWDNFU-UHFFFAOYSA-N -1 3 277.686 3.106 20 0 CGADHM C[C@@H]1CN(C(=O)c2c(O)cc3ccccc3c2[O-])C2(CC2)C1 ZINC001154025305 805426847 /nfs/dbraw/zinc/42/68/47/805426847.db2.gz DETBCTHQLSQVQF-NSHDSACASA-N -1 3 297.354 3.266 20 0 CGADHM Cc1c[nH]c2cccc(C(=O)Nc3nc(C)ccc3[O-])c12 ZINC001154076770 805431603 /nfs/dbraw/zinc/43/16/03/805431603.db2.gz PXGMIDSWDLXUHH-UHFFFAOYSA-N -1 3 281.315 3.138 20 0 CGADHM COC(=O)c1c(Cl)cccc1Nc1ncc(F)cc1[O-] ZINC001250147814 805443314 /nfs/dbraw/zinc/44/33/14/805443314.db2.gz XWGXPGUNEFOULR-UHFFFAOYSA-N -1 3 296.685 3.110 20 0 CGADHM COc1c([N-]c2nonc2C2CC2)ccc(Cl)c1F ZINC001250192593 805480671 /nfs/dbraw/zinc/48/06/71/805480671.db2.gz WLOXADVDKSMMRN-UHFFFAOYSA-N -1 3 283.690 3.492 20 0 CGADHM CCOC(=O)c1ccc(C[C@H](C)NC2=CC=C[CH]2)cc1 ZINC001257151974 807056419 /nfs/dbraw/zinc/05/64/19/807056419.db2.gz RFUWEEROVWIKFN-ZDUSSCGKSA-N -1 3 270.352 3.042 20 0 CGADHM Cc1ccc(CC(=O)[N-]OCC2CCC2)cc1Cl ZINC001167369251 807187109 /nfs/dbraw/zinc/18/71/09/807187109.db2.gz USKNEMPGDBVBAP-UHFFFAOYSA-N -1 3 267.756 3.039 20 0 CGADHM [O-]c1cncc(-c2nc(-c3cccc4c3CCCC4)no2)c1 ZINC001212709724 815110147 /nfs/dbraw/zinc/11/01/47/815110147.db2.gz KIDYXAHZSZSHSR-UHFFFAOYSA-N -1 3 293.326 3.383 20 0 CGADHM CCc1cccc(O)c1[N-]S(=O)(=O)CC1CCCCC1 ZINC001259620578 807683349 /nfs/dbraw/zinc/68/33/49/807683349.db2.gz TZLVDJGUVYQDDY-UHFFFAOYSA-N -1 3 297.420 3.277 20 0 CGADHM C[C@@H]([N-]S(=O)(=O)C(F)F)c1cccc2ccccc21 ZINC001259960928 807694971 /nfs/dbraw/zinc/69/49/71/807694971.db2.gz POABPDZWMYYIRB-SECBINFHSA-N -1 3 285.315 3.043 20 0 CGADHM Cc1ccccc1-c1ccc(NCc2ncccc2[O-])nn1 ZINC001169732165 807699703 /nfs/dbraw/zinc/69/97/03/807699703.db2.gz JMFLKGNNKPGSOQ-UHFFFAOYSA-N -1 3 292.342 3.165 20 0 CGADHM Cc1cccc(S(=O)(=O)[N-]c2ccccc2C)c1C ZINC001260992051 807708254 /nfs/dbraw/zinc/70/82/54/807708254.db2.gz WPDMWHIPDBZYBY-UHFFFAOYSA-N -1 3 275.373 3.413 20 0 CGADHM CCCO[N-]C(=O)Cc1ccc(OCc2ccccc2)cc1 ZINC001261746284 807780836 /nfs/dbraw/zinc/78/08/36/807780836.db2.gz FIGRRERLGLMTBR-UHFFFAOYSA-N -1 3 299.370 3.266 20 0 CGADHM Cc1nc(Nc2ccc3c(c2)CCC(C)(C)O3)cc(=O)[n-]1 ZINC001213012117 815198298 /nfs/dbraw/zinc/19/82/98/815198298.db2.gz WLECUNLHDVOQGT-UHFFFAOYSA-N -1 3 285.347 3.338 20 0 CGADHM Cc1nc(Nc2ccccc2C(F)(F)F)cc(=O)[n-]1 ZINC001173841834 808704845 /nfs/dbraw/zinc/70/48/45/808704845.db2.gz IDZWVUPHESEFJD-UHFFFAOYSA-N -1 3 269.226 3.253 20 0 CGADHM CC(=O)c1ccc([N-]c2noc(C(C)(C)C)n2)cc1 ZINC001173893943 808747146 /nfs/dbraw/zinc/74/71/46/808747146.db2.gz DLPNKYMHWCNPSP-UHFFFAOYSA-N -1 3 259.309 3.313 20 0 CGADHM CN(C)C(=O)c1cccc(Nc2cc([O-])c(F)cc2F)c1 ZINC001174086150 808854730 /nfs/dbraw/zinc/85/47/30/808854730.db2.gz LBIYZRIBEZFMCD-UHFFFAOYSA-N -1 3 292.285 3.116 20 0 CGADHM O=c1cc(Nc2ccc3c(c2)NCC3)[n-]n1-c1ccccc1 ZINC001213149739 815244175 /nfs/dbraw/zinc/24/41/75/815244175.db2.gz HXTFXEWLMVNZFX-UHFFFAOYSA-N -1 3 292.342 3.290 20 0 CGADHM CC(C)(O)c1cccc(Nc2ncc(Cl)cc2[O-])c1 ZINC001174404519 808999315 /nfs/dbraw/zinc/99/93/15/808999315.db2.gz PDOQFHIJYMUKKH-UHFFFAOYSA-N -1 3 278.739 3.412 20 0 CGADHM Nc1ccc(Nc2nc3c(cccc3[O-])s2)c(F)c1 ZINC001174481211 809035899 /nfs/dbraw/zinc/03/58/99/809035899.db2.gz ZEBBSBUGJYNIOU-UHFFFAOYSA-N -1 3 275.308 3.467 20 0 CGADHM CC(C)(C)c1nnc([N-]c2cnc(C3CC3)nc2)s1 ZINC001174611158 809102262 /nfs/dbraw/zinc/10/22/62/809102262.db2.gz MSWVVUFJFWQRTJ-UHFFFAOYSA-N -1 3 275.381 3.247 20 0 CGADHM CC(C)OC(=O)c1cccc(Nc2ncc(F)cc2[O-])c1 ZINC001174915023 809198892 /nfs/dbraw/zinc/19/88/92/809198892.db2.gz FWOLHCVTCGOBIL-UHFFFAOYSA-N -1 3 290.294 3.235 20 0 CGADHM CN(C)c1cccc(Nc2cc(F)c([O-])c(F)c2)c1 ZINC001174963812 809218761 /nfs/dbraw/zinc/21/87/61/809218761.db2.gz SOPCACGTNLGGBH-UHFFFAOYSA-N -1 3 264.275 3.480 20 0 CGADHM [O-]c1c(F)cc(Nc2cccc3cnncc32)cc1F ZINC001213381801 815273392 /nfs/dbraw/zinc/27/33/92/815273392.db2.gz IJDNXKCHBMWBFA-UHFFFAOYSA-N -1 3 273.242 3.357 20 0 CGADHM Cc1ncc(Nc2ccc(F)c(C(F)(F)F)c2)c(=O)[n-]1 ZINC001175075303 809260490 /nfs/dbraw/zinc/26/04/90/809260490.db2.gz SOTMXUIFVZDOBS-UHFFFAOYSA-N -1 3 287.216 3.392 20 0 CGADHM Nc1ccc(F)c(Nc2c(F)cc([O-])cc2F)c1 ZINC001175098125 809270082 /nfs/dbraw/zinc/27/00/82/809270082.db2.gz YXQNQOLYBFEJRT-UHFFFAOYSA-N -1 3 254.211 3.135 20 0 CGADHM [O-]c1ccc(F)c(Nc2cnccc2Cl)c1F ZINC001175261222 809327571 /nfs/dbraw/zinc/32/75/71/809327571.db2.gz GXHLKQQGZQEZLD-UHFFFAOYSA-N -1 3 256.639 3.462 20 0 CGADHM O=C1CCCc2nc(Nc3c(F)ccc([O-])c3F)sc21 ZINC001175260861 809328007 /nfs/dbraw/zinc/32/80/07/809328007.db2.gz DWFFMZRJXOBQSO-UHFFFAOYSA-N -1 3 296.298 3.390 20 0 CGADHM O=c1[nH]cc(Cl)cc1Nc1c(F)ccc([O-])c1F ZINC001175264584 809328859 /nfs/dbraw/zinc/32/88/59/809328859.db2.gz YHIQPFBOPGGKJP-UHFFFAOYSA-N -1 3 272.638 3.168 20 0 CGADHM COC(=O)c1ccc(F)c(Nc2c(F)ccc([O-])c2F)c1 ZINC001175267795 809332269 /nfs/dbraw/zinc/33/22/69/809332269.db2.gz HJBVWEXCSDIQDM-UHFFFAOYSA-N -1 3 297.232 3.340 20 0 CGADHM Nc1ccc2c(Cl)nn(-c3c(F)ccc([O-])c3F)c2c1 ZINC001175267890 809332289 /nfs/dbraw/zinc/33/22/89/809332289.db2.gz BRLVATHWGYIWOR-UHFFFAOYSA-N -1 3 295.676 3.245 20 0 CGADHM O=C1CCc2cccc(Nc3c(F)ccc([O-])c3F)c2N1 ZINC001175271660 809335523 /nfs/dbraw/zinc/33/55/23/809335523.db2.gz ZIWCRVSKQRISBD-UHFFFAOYSA-N -1 3 290.269 3.299 20 0 CGADHM CCc1nnc([N-]c2cc(C(C)=O)ccc2F)s1 ZINC001175272740 809335557 /nfs/dbraw/zinc/33/55/57/809335557.db2.gz JNXHCUBUQLPCGW-UHFFFAOYSA-N -1 3 265.313 3.186 20 0 CGADHM c1cnc2ccc(Nc3ccc(-c4nn[n-]n4)cc3)cc2c1 ZINC001175428437 809401210 /nfs/dbraw/zinc/40/12/10/809401210.db2.gz JFFVQZXKIBNMNF-UHFFFAOYSA-N -1 3 288.314 3.159 20 0 CGADHM Cc1ccc(Nc2ccc(-c3nn[n-]n3)cc2)c(F)c1 ZINC001175428174 809401431 /nfs/dbraw/zinc/40/14/31/809401431.db2.gz FKPJDWKSKUNBLI-UHFFFAOYSA-N -1 3 269.283 3.058 20 0 CGADHM Cn1ccc2ccc(Nc3ccc(-c4nn[n-]n4)cc3)cc21 ZINC001175432546 809402731 /nfs/dbraw/zinc/40/27/31/809402731.db2.gz HNXNJONJKSTPKA-UHFFFAOYSA-N -1 3 290.330 3.102 20 0 CGADHM C=Cc1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001175432372 809402799 /nfs/dbraw/zinc/40/27/99/809402799.db2.gz CQNMXCYFQKTCQQ-UHFFFAOYSA-N -1 3 263.304 3.253 20 0 CGADHM CC[C@@](C)(NC(=O)c1ccc(OC)cc1[O-])c1ccccc1 ZINC001293536083 809451248 /nfs/dbraw/zinc/45/12/48/809451248.db2.gz OGZVIXPHNHFXBQ-GOSISDBHSA-N -1 3 299.370 3.456 20 0 CGADHM COc1cccc([O-])c1C(=O)N[C@H]1C[C@@H]1C1CCCCC1 ZINC001294138175 809461699 /nfs/dbraw/zinc/46/16/99/809461699.db2.gz GPOONDQJUCSIPL-OLZOCXBDSA-N -1 3 289.375 3.099 20 0 CGADHM Clc1cc(-c2nc(-c3cccc4cnccc43)no2)[n-]n1 ZINC001213500167 815290669 /nfs/dbraw/zinc/29/06/69/815290669.db2.gz AESVAJZLWQXNBB-UHFFFAOYSA-N -1 3 297.705 3.328 20 0 CGADHM C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)c1ccc(O)cc1[O-] ZINC001294395340 809467453 /nfs/dbraw/zinc/46/74/53/809467453.db2.gz DUMJTVLYSDWRRL-GWCFXTLKSA-N -1 3 277.364 3.042 20 0 CGADHM Cc1cc(C)n2ccc(C(=O)Nc3cccc([O-])c3F)c2n1 ZINC001295128470 809481835 /nfs/dbraw/zinc/48/18/35/809481835.db2.gz UEBUKEGOFWVPFY-UHFFFAOYSA-N -1 3 299.305 3.048 20 0 CGADHM Cc1cc(C)c([N-]c2nnc(Br)s2)cn1 ZINC001213503355 815292630 /nfs/dbraw/zinc/29/26/30/815292630.db2.gz AUWKPGLFHRSLAD-UHFFFAOYSA-N -1 3 285.170 3.056 20 0 CGADHM CCc1nnc([N-]c2c(F)cc(OC)cc2F)s1 ZINC001175720669 809519986 /nfs/dbraw/zinc/51/99/86/809519986.db2.gz BJOAVDSOUPQNTJ-UHFFFAOYSA-N -1 3 271.292 3.131 20 0 CGADHM CC(C)(C)c1nnc([N-]c2cnn(C3CC3)c2)s1 ZINC001175958221 809580929 /nfs/dbraw/zinc/58/09/29/809580929.db2.gz JIHDIIKOXDFUFD-UHFFFAOYSA-N -1 3 263.370 3.111 20 0 CGADHM Cn1cc([N-]c2noc3cccnc23)c(-c2ccccc2)n1 ZINC001176562736 809717744 /nfs/dbraw/zinc/71/77/44/809717744.db2.gz PACMUSHXCUYBQF-UHFFFAOYSA-N -1 3 291.314 3.367 20 0 CGADHM CCOc1cc(Nc2cc(F)c([O-])c(F)c2)c(F)cn1 ZINC001176603870 809729610 /nfs/dbraw/zinc/72/96/10/809729610.db2.gz YFKXWVCJVSXLRZ-UHFFFAOYSA-N -1 3 284.237 3.347 20 0 CGADHM Cc1ncc(Nc2ccc(OC(F)(F)F)cc2)c(=O)[n-]1 ZINC001176641847 809736353 /nfs/dbraw/zinc/73/63/53/809736353.db2.gz MUCJVKRMWKCDCV-UHFFFAOYSA-N -1 3 285.225 3.133 20 0 CGADHM O=c1cc(Nc2cccc(C3CC3)c2)[nH]c(=S)[n-]1 ZINC001176724530 809750675 /nfs/dbraw/zinc/75/06/75/809750675.db2.gz HJIHWVVBLZQNTL-UHFFFAOYSA-N -1 3 259.334 3.092 20 0 CGADHM Cc1ccc([O-])c(-c2nc(-c3cc(F)cc(F)c3)no2)n1 ZINC001213698014 815323076 /nfs/dbraw/zinc/32/30/76/815323076.db2.gz KIWNPWONYGXFDX-UHFFFAOYSA-N -1 3 289.241 3.091 20 0 CGADHM CC(C)(Cc1ccccn1)C(=O)Nc1ccc(F)c([O-])c1 ZINC001178185973 809850135 /nfs/dbraw/zinc/85/01/35/809850135.db2.gz CYBFCHHXLWBPPK-UHFFFAOYSA-N -1 3 288.322 3.134 20 0 CGADHM Cc1cccc([O-])c1C(=O)Nc1ccc2c(c1)C[C@H](C)O2 ZINC001179509541 809926706 /nfs/dbraw/zinc/92/67/06/809926706.db2.gz DWUQNEDWWHHNLT-NSHDSACASA-N -1 3 283.327 3.276 20 0 CGADHM CC(=O)c1cccc([O-])c1NC(=O)CCc1cccc(C)c1 ZINC001180166407 809981252 /nfs/dbraw/zinc/98/12/52/809981252.db2.gz RSHMWTDUHNHZPQ-UHFFFAOYSA-N -1 3 297.354 3.475 20 0 CGADHM CCc1ccc(NC(=O)C(=O)CCc2ccccc2)c([O-])c1 ZINC001180965347 810029967 /nfs/dbraw/zinc/02/99/67/810029967.db2.gz KBZOZCKKZGRRQW-UHFFFAOYSA-N -1 3 297.354 3.095 20 0 CGADHM O=C(Nc1ccc(F)c([O-])c1)[C@H]1CC12CCCCC2 ZINC001181909947 810083636 /nfs/dbraw/zinc/08/36/36/810083636.db2.gz XAPXQWHQCGEDDR-LLVKDONJSA-N -1 3 263.312 3.440 20 0 CGADHM Cn1c(CC(=O)Nc2ccc(F)c([O-])c2)cc2ccccc21 ZINC001182264906 810100630 /nfs/dbraw/zinc/10/06/30/810100630.db2.gz HHGOPBHCGAFRPN-UHFFFAOYSA-N -1 3 298.317 3.204 20 0 CGADHM Cc1cccc(Cl)c1NC(=O)Nc1cncc([O-])c1 ZINC001183718101 810157950 /nfs/dbraw/zinc/15/79/50/810157950.db2.gz OAPWIWPPUZILOR-UHFFFAOYSA-N -1 3 277.711 3.393 20 0 CGADHM NC(=O)c1ccc(Nc2cc(F)c(Cl)cc2F)cc1[O-] ZINC001213942537 815348594 /nfs/dbraw/zinc/34/85/94/815348594.db2.gz BZYRBVNWXJVTDA-UHFFFAOYSA-N -1 3 298.676 3.166 20 0 CGADHM CC(C)(C)[C@H]1CC[C@H](C(=O)NCc2ncccc2[O-])CC1 ZINC001184221306 810183776 /nfs/dbraw/zinc/18/37/76/810183776.db2.gz NIOXAHYNUKSXQX-JOCQHMNTSA-N -1 3 290.407 3.256 20 0 CGADHM CC(C)=CCC/C(C)=C/C[N-]S(=O)(=O)c1ccco1 ZINC001186877497 810368719 /nfs/dbraw/zinc/36/87/19/810368719.db2.gz VCPAPPFQCCWLRF-UKTHLTGXSA-N -1 3 283.393 3.251 20 0 CGADHM Cc1cccc(C(F)(F)F)c1[N-]S(=O)(=O)C1CCC1 ZINC001188136632 810455096 /nfs/dbraw/zinc/45/50/96/810455096.db2.gz CFHQWEJDTVKQJL-UHFFFAOYSA-N -1 3 293.310 3.308 20 0 CGADHM CC(C)(C)c1ccc(C(=O)Nc2cncc([O-])c2)s1 ZINC001188245132 810472131 /nfs/dbraw/zinc/47/21/31/810472131.db2.gz GHVIDQIHPDIXCK-UHFFFAOYSA-N -1 3 276.361 3.399 20 0 CGADHM Cc1ccccc1-c1cccc(NC(=O)c2cnn[n-]2)c1 ZINC001189352303 810562725 /nfs/dbraw/zinc/56/27/25/810562725.db2.gz XENVGKOYVYDSLK-UHFFFAOYSA-N -1 3 278.315 3.032 20 0 CGADHM Cc1ccccc1-c1cccc(NC(=O)c2c[n-]nn2)c1 ZINC001189352303 810562731 /nfs/dbraw/zinc/56/27/31/810562731.db2.gz XENVGKOYVYDSLK-UHFFFAOYSA-N -1 3 278.315 3.032 20 0 CGADHM Cc1ccccc1-c1cccc(NC(=O)c2cn[n-]n2)c1 ZINC001189352303 810562736 /nfs/dbraw/zinc/56/27/36/810562736.db2.gz XENVGKOYVYDSLK-UHFFFAOYSA-N -1 3 278.315 3.032 20 0 CGADHM CCc1cccc(C)c1NC(=O)Nc1cnc(C)[n-]c1=O ZINC001189949288 810597390 /nfs/dbraw/zinc/59/73/90/810597390.db2.gz KNXOCHHXZJVAAL-UHFFFAOYSA-N -1 3 286.335 3.005 20 0 CGADHM Cc1ccc(O)c(Nc2cc(=O)n(-c3ccccc3)[n-]2)c1 ZINC001214220922 815386526 /nfs/dbraw/zinc/38/65/26/815386526.db2.gz VJDQQRGOERUQFV-UHFFFAOYSA-N -1 3 281.315 3.336 20 0 CGADHM CCCCCCNC(=O)Nc1ncc([O-])cc1Cl ZINC001191955708 810759509 /nfs/dbraw/zinc/75/95/09/810759509.db2.gz SAVAZYMPYIXRIT-UHFFFAOYSA-N -1 3 271.748 3.142 20 0 CGADHM CCCCCOC(=O)Nc1cc(F)c([O-])cc1C(=O)OC ZINC001193773249 810951591 /nfs/dbraw/zinc/95/15/91/810951591.db2.gz LLFQQVFUJKIZQY-UHFFFAOYSA-N -1 3 299.298 3.057 20 0 CGADHM COc1ncc(Nc2c(Cl)ccc([O-])c2F)c(C)n1 ZINC001214557491 815423225 /nfs/dbraw/zinc/42/32/25/815423225.db2.gz ANAKWGQMIIZKOH-UHFFFAOYSA-N -1 3 283.690 3.035 20 0 CGADHM [O-]c1ccc(Cl)c(Nc2nccnc2Cl)c1F ZINC001214554487 815423655 /nfs/dbraw/zinc/42/36/55/815423655.db2.gz SBRZUNLIHLDBDT-UHFFFAOYSA-N -1 3 274.082 3.372 20 0 CGADHM O=C(Nc1ncccc1[O-])c1sccc1C(F)(F)F ZINC001195206560 811226437 /nfs/dbraw/zinc/22/64/37/811226437.db2.gz YRPFJOQIXBKMFJ-UHFFFAOYSA-N -1 3 288.250 3.120 20 0 CGADHM Cc1ccc([O-])c(C(=O)N[C@@H]2C[C@H](C)c3ccccc32)n1 ZINC001195332177 811243214 /nfs/dbraw/zinc/24/32/14/811243214.db2.gz MUOPDWNGQHDWLT-IINYFYTJSA-N -1 3 282.343 3.074 20 0 CGADHM O=C(Nc1cncc([O-])c1)c1cc(-c2ccccc2)c[nH]1 ZINC001195642209 811273710 /nfs/dbraw/zinc/27/37/10/811273710.db2.gz OQYKPNCNMQBBQW-UHFFFAOYSA-N -1 3 279.299 3.035 20 0 CGADHM CC(C)(C)NC(=S)Nc1c([O-])cccc1C(F)(F)F ZINC001200908677 811763175 /nfs/dbraw/zinc/76/31/75/811763175.db2.gz CKRWQRMNLQGPNQ-UHFFFAOYSA-N -1 3 292.326 3.496 20 0 CGADHM CSc1ccc(Nc2cnc[n-]c2=O)cc1Cl ZINC001215068290 815480983 /nfs/dbraw/zinc/48/09/83/815480983.db2.gz NYEZDNCECBDXNE-UHFFFAOYSA-N -1 3 267.741 3.301 20 0 CGADHM COc1ccc(-c2noc(-c3ccccc3[O-])n2)c(F)c1 ZINC001215142214 815488133 /nfs/dbraw/zinc/48/81/33/815488133.db2.gz QOVUQGZQHICLIE-UHFFFAOYSA-N -1 3 286.262 3.257 20 0 CGADHM Cc1ccccc1NC(=O)Nc1ncc([O-])cc1Cl ZINC001202176816 812030176 /nfs/dbraw/zinc/03/01/76/812030176.db2.gz UWPUKMBRPLFZKF-UHFFFAOYSA-N -1 3 277.711 3.393 20 0 CGADHM COc1cc(OCc2ccccc2)ccc1[N-]c1nnco1 ZINC001215222796 815496704 /nfs/dbraw/zinc/49/67/04/815496704.db2.gz FKBDORJUZVMSSA-UHFFFAOYSA-N -1 3 297.314 3.401 20 0 CGADHM O=C(NC(=O)c1ccccc1)Nc1c([O-])cccc1Cl ZINC001202453770 812098125 /nfs/dbraw/zinc/09/81/25/812098125.db2.gz GSOMDJLRCCYZCC-UHFFFAOYSA-N -1 3 290.706 3.008 20 0 CGADHM CC(C)(C)NC(=O)Nc1c([O-])cccc1C(F)(F)F ZINC001202483389 812105181 /nfs/dbraw/zinc/10/51/81/812105181.db2.gz WUGWPRSOWRQDRV-UHFFFAOYSA-N -1 3 276.258 3.331 20 0 CGADHM Cc1ccc(-c2nc(-c3cnc(C)c(C)c3)no2)c([O-])c1 ZINC001215297349 815504093 /nfs/dbraw/zinc/50/40/93/815504093.db2.gz XUOMMDRWGAHVIU-UHFFFAOYSA-N -1 3 281.315 3.429 20 0 CGADHM O=C(Nc1nc2c(cccc2[O-])s1)NC1CCCCC1 ZINC001202604460 812133898 /nfs/dbraw/zinc/13/38/98/812133898.db2.gz UXOKFOWOZNNKLE-UHFFFAOYSA-N -1 3 291.376 3.456 20 0 CGADHM CCCOc1ccc(Nc2cnc(C)[n-]c2=O)c(F)c1 ZINC001215488895 815525150 /nfs/dbraw/zinc/52/51/50/815525150.db2.gz NCDPMVNGJMSXRK-UHFFFAOYSA-N -1 3 277.299 3.162 20 0 CGADHM Nc1ccc(N(c2cc(F)c([O-])cc2F)C2CCC2)nc1 ZINC001215572694 815538484 /nfs/dbraw/zinc/53/84/84/815538484.db2.gz QMDHHJNVWDWREM-UHFFFAOYSA-N -1 3 291.301 3.338 20 0 CGADHM [O-]c1cc(F)c(Nc2cnn(CC(F)(F)F)c2)cc1F ZINC001215569960 815536532 /nfs/dbraw/zinc/53/65/32/815536532.db2.gz JVXYBKSNYLAAJG-UHFFFAOYSA-N -1 3 293.195 3.173 20 0 CGADHM [O-]c1cc(F)c(Nc2ccnn2CC2CC2)cc1F ZINC001215572166 815536978 /nfs/dbraw/zinc/53/69/78/815536978.db2.gz OHAHKTMHEJUOOE-UHFFFAOYSA-N -1 3 265.263 3.021 20 0 CGADHM COc1cnc(Cl)c(Nc2cc(F)c([O-])cc2F)c1 ZINC001215571988 815537432 /nfs/dbraw/zinc/53/74/32/815537432.db2.gz KEXDLCSFORRPKZ-UHFFFAOYSA-N -1 3 286.665 3.471 20 0 CGADHM Nc1ccc(Cl)nc1Nc1cc(F)c([O-])cc1F ZINC001215571072 815537715 /nfs/dbraw/zinc/53/77/15/815537715.db2.gz VYNXUBGYOOZLPA-UHFFFAOYSA-N -1 3 271.654 3.045 20 0 CGADHM Cc1nn(C)c2ccc([N-]c3nnc(C(C)(C)C)o3)cc12 ZINC001204834810 812750403 /nfs/dbraw/zinc/75/04/03/812750403.db2.gz SWVRJFMMIXTUNA-UHFFFAOYSA-N -1 3 285.351 3.306 20 0 CGADHM COc1ccc(Nc2ncc(Cl)cc2[O-])c2c[nH]nc21 ZINC001215748164 815574167 /nfs/dbraw/zinc/57/41/67/815574167.db2.gz YWISDLLQCSJKOM-UHFFFAOYSA-N -1 3 290.710 3.069 20 0 CGADHM CCOc1ccc(-c2ccc([O-])cc2F)c(OCC)n1 ZINC001206080271 813192880 /nfs/dbraw/zinc/19/28/80/813192880.db2.gz GJQLLQMBPHYVJW-UHFFFAOYSA-N -1 3 277.295 3.391 20 0 CGADHM CCOC(=O)c1ccc(OC)c(-c2ccc([O-])cc2F)c1 ZINC001206088005 813195957 /nfs/dbraw/zinc/19/59/57/813195957.db2.gz GLUWRQQZICYNHT-UHFFFAOYSA-N -1 3 290.290 3.384 20 0 CGADHM COc1ccc(C)c([N-]c2nnc(C(C)(C)C)o2)c1 ZINC001209838776 814157239 /nfs/dbraw/zinc/15/72/39/814157239.db2.gz YFRIKYLVXAZZQO-UHFFFAOYSA-N -1 3 261.325 3.428 20 0 CGADHM Fc1ccc2oc(-c3ccccc3-c3nnn[n-]3)cc2c1 ZINC001242706873 823106649 /nfs/dbraw/zinc/10/66/49/823106649.db2.gz UPVXIPVVMHOTSL-UHFFFAOYSA-N -1 3 280.262 3.419 20 0 CGADHM Fc1ccc2oc(-c3ccccc3-c3nn[n-]n3)cc2c1 ZINC001242706873 823106651 /nfs/dbraw/zinc/10/66/51/823106651.db2.gz UPVXIPVVMHOTSL-UHFFFAOYSA-N -1 3 280.262 3.419 20 0 CGADHM CC(C)(C)c1nnc([N-]c2ccc(OCC3CC3)nc2)o1 ZINC001210009645 814242069 /nfs/dbraw/zinc/24/20/69/814242069.db2.gz FLTNEVNATWGMIA-UHFFFAOYSA-N -1 3 288.351 3.295 20 0 CGADHM Nc1ccc2c(Cl)nn(-c3ccc(F)cc3[O-])c2c1 ZINC001210016029 814245262 /nfs/dbraw/zinc/24/52/62/814245262.db2.gz BCYQOQWCVXUCPU-UHFFFAOYSA-N -1 3 277.686 3.106 20 0 CGADHM Cc1cc2n[nH]cc2cc1[N-]c1noc(C(C)(C)C)n1 ZINC001210100081 814285133 /nfs/dbraw/zinc/28/51/33/814285133.db2.gz BRQZCRZHGOVCME-UHFFFAOYSA-N -1 3 271.324 3.295 20 0 CGADHM [O-]c1c(Cl)cccc1Nc1cncnc1Cl ZINC001210215266 814344570 /nfs/dbraw/zinc/34/45/70/814344570.db2.gz BMVJOLXUUGCNOD-UHFFFAOYSA-N -1 3 256.092 3.233 20 0 CGADHM Nc1cc(Cl)ncc1Nc1cccc(Cl)c1[O-] ZINC001210215986 814345201 /nfs/dbraw/zinc/34/52/01/814345201.db2.gz PRJIDSADIMIBKR-UHFFFAOYSA-N -1 3 270.119 3.420 20 0 CGADHM CCc1cnn2cc(Nc3cccc(Cl)c3[O-])cnc12 ZINC001210218637 814346844 /nfs/dbraw/zinc/34/68/44/814346844.db2.gz AZWVZKIQLFEEDQ-UHFFFAOYSA-N -1 3 288.738 3.394 20 0 CGADHM [O-]c1cccc2sc(Nc3ccc(CO)c(F)c3)nc21 ZINC001210480982 814482021 /nfs/dbraw/zinc/48/20/21/814482021.db2.gz BHLMBBXXSMJACT-UHFFFAOYSA-N -1 3 290.319 3.377 20 0 CGADHM COCOc1ccc(Nc2ncc(Cl)cc2[O-])c(C)c1 ZINC001210490715 814487032 /nfs/dbraw/zinc/48/70/32/814487032.db2.gz YIDCKHLUDHUZDZ-UHFFFAOYSA-N -1 3 294.738 3.475 20 0 CGADHM C[C@H](O)c1ccc(Nc2cc([O-])c(F)cc2F)cc1 ZINC001210649281 814572117 /nfs/dbraw/zinc/57/21/17/814572117.db2.gz SKBCOKXGYLISQA-QMMMGPOBSA-N -1 3 265.259 3.467 20 0 CGADHM [O-]c1cccc(Nc2cccc3nccn32)c1Cl ZINC001210845635 814650756 /nfs/dbraw/zinc/65/07/56/814650756.db2.gz ZZQRWCVYAKJVTB-UHFFFAOYSA-N -1 3 259.696 3.437 20 0 CGADHM [O-]c1cccc(Nc2ccn3nccc3c2)c1Cl ZINC001210853710 814650782 /nfs/dbraw/zinc/65/07/82/814650782.db2.gz FTCPAVYIRSNXDT-UHFFFAOYSA-N -1 3 259.696 3.437 20 0 CGADHM Cc1ccc2c(c1Nc1cccc([O-])c1Cl)CNC2=O ZINC001210854904 814652168 /nfs/dbraw/zinc/65/21/68/814652168.db2.gz FBVVQKBBYXNTJO-UHFFFAOYSA-N -1 3 288.734 3.341 20 0 CGADHM COc1cnc(Cl)c(Nc2cccc([O-])c2Cl)n1 ZINC001210853883 814652544 /nfs/dbraw/zinc/65/25/44/814652544.db2.gz OGCUQFFQWOTGTN-UHFFFAOYSA-N -1 3 286.118 3.241 20 0 CGADHM CCCn1nccc1Nc1cc(F)c([O-])cc1F ZINC001210918562 814674900 /nfs/dbraw/zinc/67/49/00/814674900.db2.gz RROWECJLPHDFAY-UHFFFAOYSA-N -1 3 253.252 3.021 20 0 CGADHM CC(=O)Nc1ccc([O-])c(N=C(C)c2ccccc2)c1 ZINC001210986840 814698916 /nfs/dbraw/zinc/69/89/16/814698916.db2.gz FSFFCYWUEWWILP-UHFFFAOYSA-N -1 3 268.316 3.433 20 0 CGADHM COC(=O)c1sc2ncccc2c1[N-]c1nccs1 ZINC001210989435 814699777 /nfs/dbraw/zinc/69/97/77/814699777.db2.gz GRVHAGMZHUAGTG-UHFFFAOYSA-N -1 3 291.357 3.283 20 0 CGADHM Cc1nnc([N-]c2cnc(OCc3ccccc3)cc2C)o1 ZINC001215777387 815587470 /nfs/dbraw/zinc/58/74/70/815587470.db2.gz SSFRDTRTBXMHIQ-UHFFFAOYSA-N -1 3 296.330 3.404 20 0 CGADHM O=C(CCCO)c1ccc(Nc2ccc(F)c([O-])c2)cc1 ZINC001211221174 814855028 /nfs/dbraw/zinc/85/50/28/814855028.db2.gz RWODBZQDFSOKJH-UHFFFAOYSA-N -1 3 289.306 3.230 20 0 CGADHM Cc1cnc([N-]c2cc(Br)cnc2F)o1 ZINC001211264516 814866254 /nfs/dbraw/zinc/86/62/54/814866254.db2.gz JITRNKWBQCQVKU-UHFFFAOYSA-N -1 3 272.077 3.023 20 0 CGADHM Cc1ccc(OC(C)C)c(Nc2cc(=O)[n-]c(C)n2)c1 ZINC001211279962 814869191 /nfs/dbraw/zinc/86/91/91/814869191.db2.gz SZUSGZVRYDASBX-UHFFFAOYSA-N -1 3 273.336 3.330 20 0 CGADHM Fc1cc(-c2cccc(OC3CC3)c2)ccc1-c1nnn[n-]1 ZINC001242806854 823140157 /nfs/dbraw/zinc/14/01/57/823140157.db2.gz WJJAHHHDVJIYLJ-UHFFFAOYSA-N -1 3 296.305 3.214 20 0 CGADHM Fc1cc(-c2cccc(OC3CC3)c2)ccc1-c1nn[n-]n1 ZINC001242806854 823140158 /nfs/dbraw/zinc/14/01/58/823140158.db2.gz WJJAHHHDVJIYLJ-UHFFFAOYSA-N -1 3 296.305 3.214 20 0 CGADHM COc1ccc(Nc2ncc(F)cc2[O-])c(C)c1C ZINC001215973644 815645847 /nfs/dbraw/zinc/64/58/47/815645847.db2.gz UVOAJUCFDVQMPD-UHFFFAOYSA-N -1 3 262.284 3.295 20 0 CGADHM CSc1ncc([N-]c2nonc2C2CC2)cc1Cl ZINC001216028496 815664776 /nfs/dbraw/zinc/66/47/76/815664776.db2.gz WFCIDDPLTYCPJS-UHFFFAOYSA-N -1 3 282.756 3.461 20 0 CGADHM Cc1ncc(Nc2ccc(C(C)C)nc2Cl)c(=O)[n-]1 ZINC001216444900 815831485 /nfs/dbraw/zinc/83/14/85/815831485.db2.gz JRAYHHPSROUWPD-UHFFFAOYSA-N -1 3 278.743 3.406 20 0 CGADHM CCOc1ccc(Cl)cc1Nc1cnc(C)[n-]c1=O ZINC001216447876 815832146 /nfs/dbraw/zinc/83/21/46/815832146.db2.gz VZRDYVHDWKLGCB-UHFFFAOYSA-N -1 3 279.727 3.286 20 0 CGADHM Cc1ccncc1-c1noc(-c2[n-]nc3c2cccc3F)n1 ZINC001217322543 815920237 /nfs/dbraw/zinc/92/02/37/815920237.db2.gz ARLMYIAWPYETOX-UHFFFAOYSA-N -1 3 295.277 3.122 20 0 CGADHM C=C(c1ccccc1)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001242893674 823166278 /nfs/dbraw/zinc/16/62/78/823166278.db2.gz VVPGUJHUOWRBKB-UHFFFAOYSA-N -1 3 266.279 3.067 20 0 CGADHM C=C(c1ccccc1)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001242893674 823166279 /nfs/dbraw/zinc/16/62/79/823166279.db2.gz VVPGUJHUOWRBKB-UHFFFAOYSA-N -1 3 266.279 3.067 20 0 CGADHM COc1nccc(-c2ccc3c(c2)[N-]C(=S)C3)c1OC ZINC001242962198 823190988 /nfs/dbraw/zinc/19/09/88/823190988.db2.gz AKNZSGSVURKEMB-UHFFFAOYSA-N -1 3 286.356 3.061 20 0 CGADHM Cc1cc(-c2cncc(-c3nnn[n-]3)c2)c(F)cc1Cl ZINC001222231299 816380061 /nfs/dbraw/zinc/38/00/61/816380061.db2.gz CAMNDIKEIKHQQD-UHFFFAOYSA-N -1 3 289.701 3.030 20 0 CGADHM Cc1cc(-c2cncc(-c3nn[n-]n3)c2)c(F)cc1Cl ZINC001222231299 816380067 /nfs/dbraw/zinc/38/00/67/816380067.db2.gz CAMNDIKEIKHQQD-UHFFFAOYSA-N -1 3 289.701 3.030 20 0 CGADHM Fc1ccc(-c2ccccc2Cl)cc1-c1nnn[n-]1 ZINC001222440492 816446520 /nfs/dbraw/zinc/44/65/20/816446520.db2.gz FLNJPCGPOWGDKG-UHFFFAOYSA-N -1 3 274.686 3.326 20 0 CGADHM Fc1ccc(-c2ccccc2Cl)cc1-c1nn[n-]n1 ZINC001222440492 816446523 /nfs/dbraw/zinc/44/65/23/816446523.db2.gz FLNJPCGPOWGDKG-UHFFFAOYSA-N -1 3 274.686 3.326 20 0 CGADHM CCOC(=O)c1c(OC)cccc1-c1ccc(F)c([O-])c1 ZINC001243052081 823228657 /nfs/dbraw/zinc/22/86/57/823228657.db2.gz XEEAXGYOVJFDLR-UHFFFAOYSA-N -1 3 290.290 3.384 20 0 CGADHM O=c1ccc(-c2ccc(F)c([O-])c2)cn1CC1CCC1 ZINC001243047370 823224466 /nfs/dbraw/zinc/22/44/66/823224466.db2.gz QQNKEWKBFNNRHE-UHFFFAOYSA-N -1 3 273.307 3.160 20 0 CGADHM O=c1ccc2cc(-c3ccc(F)c([O-])c3)ccc2o1 ZINC001243048143 823224868 /nfs/dbraw/zinc/22/48/68/823224868.db2.gz IJJLIQXDAHBZGI-UHFFFAOYSA-N -1 3 256.232 3.305 20 0 CGADHM COC(=O)c1cc(-c2ccc(F)c([O-])c2)c(F)cc1F ZINC001243047430 823225141 /nfs/dbraw/zinc/22/51/41/823225141.db2.gz CMJHYXPLWHFMHF-UHFFFAOYSA-N -1 3 282.217 3.263 20 0 CGADHM CC(=O)N1CCCc2cc(-c3ccc(F)c([O-])c3)ccc21 ZINC001243049896 823226759 /nfs/dbraw/zinc/22/67/59/823226759.db2.gz BVVLTHFZUJXNLU-UHFFFAOYSA-N -1 3 285.318 3.497 20 0 CGADHM CC1(c2cccc(-c3ccc(F)c([O-])c3)c2)OCCO1 ZINC001243050092 823226801 /nfs/dbraw/zinc/22/68/01/823226801.db2.gz GCIKMCGETLIDFE-UHFFFAOYSA-N -1 3 274.291 3.418 20 0 CGADHM CCOC(=O)c1ccc(C)c(-c2ccc(F)c([O-])c2)n1 ZINC001243052413 823228584 /nfs/dbraw/zinc/22/85/84/823228584.db2.gz YVHKQBNVPKHSCG-UHFFFAOYSA-N -1 3 275.279 3.078 20 0 CGADHM [O-]c1cc(-c2ccc(-n3ccnc3)cc2)ccc1F ZINC001243049314 823227026 /nfs/dbraw/zinc/22/70/26/823227026.db2.gz KQRZJABOSLGTNW-UHFFFAOYSA-N -1 3 254.264 3.384 20 0 CGADHM Cc1cc(-c2ccc(F)c([O-])c2)nc(-c2ccccn2)n1 ZINC001243050620 823227650 /nfs/dbraw/zinc/22/76/50/823227650.db2.gz YBGCSASNDCWZMH-UHFFFAOYSA-N -1 3 281.290 3.359 20 0 CGADHM COC(=O)Cc1ccc(-c2ccc(F)c([O-])c2)cc1F ZINC001243063975 823233572 /nfs/dbraw/zinc/23/35/72/823233572.db2.gz YIQRMWGHJOHFPR-UHFFFAOYSA-N -1 3 278.254 3.053 20 0 CGADHM Cc1cccc(OC[C@@H](C)Oc2ccc3c([O-])coc3c2)c1 ZINC001225340194 817016132 /nfs/dbraw/zinc/01/61/32/817016132.db2.gz FRZCYILIUNFSKN-CYBMUJFWSA-N -1 3 298.338 3.416 20 0 CGADHM Cc1ccc(OC[C@@H](C)Oc2ccc3c([O-])coc3c2)cc1 ZINC001225341283 817018217 /nfs/dbraw/zinc/01/82/17/817018217.db2.gz YJMAVDIRGGMLBJ-CYBMUJFWSA-N -1 3 298.338 3.416 20 0 CGADHM Cc1cnc(=S)[n-]c1O[C@H]1CCc2ccccc21 ZINC001225739643 817162507 /nfs/dbraw/zinc/16/25/07/817162507.db2.gz SANVDIBMACBMQD-LBPRGKRZSA-N -1 3 258.346 3.140 20 0 CGADHM FC(F)(F)c1cc(O[C@@H]2C=CCCC2)nc(=S)[n-]1 ZINC001225852311 817196985 /nfs/dbraw/zinc/19/69/85/817196985.db2.gz FNBKNGAMQHQSMA-SSDOTTSWSA-N -1 3 276.283 3.272 20 0 CGADHM CC(=O)c1ccc([O-])c(O[C@@H]2CCC(=O)CC2(C)C)c1 ZINC001225992853 817242572 /nfs/dbraw/zinc/24/25/72/817242572.db2.gz CLVOGNONBGKFBI-OAHLLOKOSA-N -1 3 276.332 3.121 20 0 CGADHM CC(=O)c1ccc([O-])c(O[C@@H]2C[C@@H]3[C@H](C2)C3(C)C)c1 ZINC001225994146 817242658 /nfs/dbraw/zinc/24/26/58/817242658.db2.gz LDFNILAMKIQOLG-XYYAHUGASA-N -1 3 260.333 3.408 20 0 CGADHM CC(=O)c1ccc([O-])c(O[C@H](C)c2cnc3ccccn32)c1 ZINC001225998096 817243102 /nfs/dbraw/zinc/24/31/02/817243102.db2.gz HRYCTKKWBCQLDQ-GFCCVEGCSA-N -1 3 296.326 3.383 20 0 CGADHM COC(C)(C)C[C@@H](C)Oc1[n-]c(=S)ncc1C1CC1 ZINC001226118188 817277958 /nfs/dbraw/zinc/27/79/58/817277958.db2.gz CKFQOVLKNIKROZ-SECBINFHSA-N -1 3 282.409 3.225 20 0 CGADHM CC1(C)C(=O)CCC[C@@H]1Oc1[n-]c(=S)ncc1C1CC1 ZINC001226119217 817278316 /nfs/dbraw/zinc/27/83/16/817278316.db2.gz LQJDNWJSZVEXML-LBPRGKRZSA-N -1 3 292.404 3.169 20 0 CGADHM CC[C@@H](Oc1[n-]c(=O)ncc1C(C)=O)c1ccccc1F ZINC001226236900 817305611 /nfs/dbraw/zinc/30/56/11/817305611.db2.gz FLQKHAQXLKLXLH-CYBMUJFWSA-N -1 3 290.294 3.054 20 0 CGADHM CC(=O)c1ccc([O-])c(O[C@@H]2CCCC[C@@H]2C)c1O ZINC001226478077 817369989 /nfs/dbraw/zinc/36/99/89/817369989.db2.gz CQTXRTOISJAOEZ-TVQRCGJNSA-N -1 3 264.321 3.258 20 0 CGADHM Cc1nc(O[C@H]2Cc3cccc4cccc2c34)cc(=O)[n-]1 ZINC001226511423 817381203 /nfs/dbraw/zinc/38/12/03/817381203.db2.gz ZYAMVEXOXLHQIQ-AWEZNQCLSA-N -1 3 278.311 3.320 20 0 CGADHM CC[C@@H](C)[C@@H](C)Oc1c([O-])ccc2ccc(=O)oc21 ZINC001226600593 817410180 /nfs/dbraw/zinc/41/01/80/817410180.db2.gz YKSVSQZQULWJII-NXEZZACHSA-N -1 3 262.305 3.312 20 0 CGADHM CCC[C@H](Oc1[n-]c(=O)nc2cnncc21)c1ccccc1 ZINC001226693515 817435319 /nfs/dbraw/zinc/43/53/19/817435319.db2.gz WCFVOBMWUALRNN-AWEZNQCLSA-N -1 3 296.330 3.046 20 0 CGADHM CCC[C@@H](Oc1cccc([O-])c1Cl)C(=O)OCC ZINC001226710962 817442429 /nfs/dbraw/zinc/44/24/29/817442429.db2.gz FSGQLVRGAQYEEQ-LLVKDONJSA-N -1 3 272.728 3.156 20 0 CGADHM Cc1cc(O[C@@H]2CCc3c2cccc3C)[n-]c(=S)n1 ZINC001226800372 817470053 /nfs/dbraw/zinc/47/00/53/817470053.db2.gz GRYKSRKZOPIZIJ-CYBMUJFWSA-N -1 3 272.373 3.448 20 0 CGADHM CCc1cnc(=S)[n-]c1O[C@@H](C)c1cc(C)cnc1F ZINC001227061550 817547262 /nfs/dbraw/zinc/54/72/62/817547262.db2.gz DYYACLCRXMXYGM-VIFPVBQESA-N -1 3 293.367 3.310 20 0 CGADHM CCc1cnc(=S)[n-]c1O[C@@H](c1cccnc1)C1CC1 ZINC001227062092 817548240 /nfs/dbraw/zinc/54/82/40/817548240.db2.gz SDULEXGRXWFJCN-CYBMUJFWSA-N -1 3 287.388 3.253 20 0 CGADHM [O-]c1cc(Br)cc(F)c1O[C@@H]1C[C@H]2C[C@H]2C1 ZINC001227586544 817676713 /nfs/dbraw/zinc/67/67/13/817676713.db2.gz AVGIIQHBWDHHQP-SRSLHRDFSA-N -1 3 287.128 3.471 20 0 CGADHM CCC[C@@H](Oc1nc(C(=O)OC)ccc1[O-])[C@@H](C)CC ZINC001227820612 817726842 /nfs/dbraw/zinc/72/68/42/817726842.db2.gz XQXJKBLLCPMGDO-GXFFZTMASA-N -1 3 281.352 3.167 20 0 CGADHM [O-]c1cc(Cl)cnc1O[C@H]1CCCc2cccnc21 ZINC001227979704 817771926 /nfs/dbraw/zinc/77/19/26/817771926.db2.gz HHHLYLSXUYULNW-LBPRGKRZSA-N -1 3 276.723 3.292 20 0 CGADHM C[C@H](COc1ncc(Cl)cc1[O-])OCc1ccccc1 ZINC001227981238 817772115 /nfs/dbraw/zinc/77/21/15/817772115.db2.gz UXZSYGOOTWAPRG-LLVKDONJSA-N -1 3 293.750 3.425 20 0 CGADHM Cc1ccc([C@H](C)Oc2[n-]c(=O)nc3cccnc32)c(C)c1 ZINC001228009939 817782981 /nfs/dbraw/zinc/78/29/81/817782981.db2.gz TVUVYGNZFCOSMF-LBPRGKRZSA-N -1 3 295.342 3.487 20 0 CGADHM CCCc1c([O-])ccc(C(C)=O)c1OC[C@H]1CCCCO1 ZINC001228134399 817820205 /nfs/dbraw/zinc/82/02/05/817820205.db2.gz PMPONRIUCWXDGW-CYBMUJFWSA-N -1 3 292.375 3.495 20 0 CGADHM Cc1cc(=O)oc2c1ccc([O-])c2O[C@@H](C)C(F)(F)F ZINC001228624574 817956761 /nfs/dbraw/zinc/95/67/61/817956761.db2.gz FQMIFRPOVVIDRX-ZETCQYMHSA-N -1 3 288.221 3.137 20 0 CGADHM c1ccc2c(c1)CCC[C@H]2Oc1nnc(-c2cccnc2)[n-]1 ZINC001228695623 817975706 /nfs/dbraw/zinc/97/57/06/817975706.db2.gz NUMWZZQMDAGBBN-OAHLLOKOSA-N -1 3 292.342 3.323 20 0 CGADHM c1ccc2c(c1)CCC[C@H]2Oc1nc(-c2cccnc2)n[n-]1 ZINC001228695623 817975709 /nfs/dbraw/zinc/97/57/09/817975709.db2.gz NUMWZZQMDAGBBN-OAHLLOKOSA-N -1 3 292.342 3.323 20 0 CGADHM c1ccc2c(c1)CCC[C@H]2Oc1n[n-]c(-c2cccnc2)n1 ZINC001228695623 817975714 /nfs/dbraw/zinc/97/57/14/817975714.db2.gz NUMWZZQMDAGBBN-OAHLLOKOSA-N -1 3 292.342 3.323 20 0 CGADHM CCC[C@H](Oc1n[n-]c(-c2ccncc2)n1)C(C)(C)C ZINC001228698278 817977241 /nfs/dbraw/zinc/97/72/41/817977241.db2.gz WPQDIDIODQPAJE-LBPRGKRZSA-N -1 3 274.368 3.460 20 0 CGADHM C[C@@H]1CCC[C@@H](C)C1Oc1nnc(-c2cccnc2)[n-]1 ZINC001228697018 817977342 /nfs/dbraw/zinc/97/73/42/817977342.db2.gz DMQXKRDVSOOWMG-GHMZBOCLSA-N -1 3 272.352 3.070 20 0 CGADHM C[C@@H]1CCC[C@@H](C)C1Oc1nc(-c2cccnc2)n[n-]1 ZINC001228697018 817977348 /nfs/dbraw/zinc/97/73/48/817977348.db2.gz DMQXKRDVSOOWMG-GHMZBOCLSA-N -1 3 272.352 3.070 20 0 CGADHM C[C@@H]1CCC[C@@H](C)C1Oc1n[n-]c(-c2cccnc2)n1 ZINC001228697018 817977353 /nfs/dbraw/zinc/97/73/53/817977353.db2.gz DMQXKRDVSOOWMG-GHMZBOCLSA-N -1 3 272.352 3.070 20 0 CGADHM C[C@@H]1CCC[C@@H](Oc2nnc(-c3cccnc3)[n-]2)[C@@H]1C ZINC001228699575 817979986 /nfs/dbraw/zinc/97/99/86/817979986.db2.gz ZVRCTSYADSOGFV-NQBHXWOUSA-N -1 3 272.352 3.070 20 0 CGADHM C[C@@H]1CCC[C@@H](Oc2nc(-c3cccnc3)n[n-]2)[C@@H]1C ZINC001228699575 817979994 /nfs/dbraw/zinc/97/99/94/817979994.db2.gz ZVRCTSYADSOGFV-NQBHXWOUSA-N -1 3 272.352 3.070 20 0 CGADHM C[C@@H]1CCC[C@@H](Oc2n[n-]c(-c3cccnc3)n2)[C@@H]1C ZINC001228699575 817979999 /nfs/dbraw/zinc/97/99/99/817979999.db2.gz ZVRCTSYADSOGFV-NQBHXWOUSA-N -1 3 272.352 3.070 20 0 CGADHM C[C@H](COc1ccccc1)Oc1cc2c(cc1[O-])CCC2=O ZINC001228853093 818022658 /nfs/dbraw/zinc/02/26/58/818022658.db2.gz GPUMTOTUGLKWBJ-GFCCVEGCSA-N -1 3 298.338 3.367 20 0 CGADHM CC[C@@H](C)CC[C@H](C)Oc1cccc(-c2nnn[n-]2)c1 ZINC001231118075 818034788 /nfs/dbraw/zinc/03/47/88/818034788.db2.gz JNLGYAUCKGEZNV-NEPJUHHUSA-N -1 3 274.368 3.460 20 0 CGADHM CC[C@@H](C)CC[C@H](C)Oc1cccc(-c2nn[n-]n2)c1 ZINC001231118075 818034791 /nfs/dbraw/zinc/03/47/91/818034791.db2.gz JNLGYAUCKGEZNV-NEPJUHHUSA-N -1 3 274.368 3.460 20 0 CGADHM CC1(C)CCC[C@H](Oc2cccc(-c3nnn[n-]3)c2)C1 ZINC001231118506 818035611 /nfs/dbraw/zinc/03/56/11/818035611.db2.gz PWEWOXUCYGZFFD-ZDUSSCGKSA-N -1 3 272.352 3.214 20 0 CGADHM CC1(C)CCC[C@H](Oc2cccc(-c3nn[n-]n3)c2)C1 ZINC001231118506 818035616 /nfs/dbraw/zinc/03/56/16/818035616.db2.gz PWEWOXUCYGZFFD-ZDUSSCGKSA-N -1 3 272.352 3.214 20 0 CGADHM COc1ccc([C@H](C)Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC001231118630 818036038 /nfs/dbraw/zinc/03/60/38/818036038.db2.gz SKFSNTKNTYMYPK-NSHDSACASA-N -1 3 296.330 3.015 20 0 CGADHM COc1ccc([C@H](C)Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC001231118630 818036044 /nfs/dbraw/zinc/03/60/44/818036044.db2.gz SKFSNTKNTYMYPK-NSHDSACASA-N -1 3 296.330 3.015 20 0 CGADHM CC(C)Oc1cccc(F)c1-c1cccc(-c2nnn[n-]2)c1 ZINC001243266488 823317959 /nfs/dbraw/zinc/31/79/59/823317959.db2.gz NZZUYFMQMOOESL-UHFFFAOYSA-N -1 3 298.321 3.460 20 0 CGADHM CC(C)Oc1cccc(F)c1-c1cccc(-c2nn[n-]n2)c1 ZINC001243266488 823317965 /nfs/dbraw/zinc/31/79/65/823317965.db2.gz NZZUYFMQMOOESL-UHFFFAOYSA-N -1 3 298.321 3.460 20 0 CGADHM [O-]c1c(F)ccc(CN2CCC3(CC(F)C3)CC2)c1F ZINC001232934791 818474999 /nfs/dbraw/zinc/47/49/99/818474999.db2.gz WGRAPSPLLACCJG-UHFFFAOYSA-N -1 3 285.309 3.385 20 0 CGADHM [O-]c1c(F)ccc(CN2CCCC3(CCC3)C2)c1F ZINC001232940242 818479448 /nfs/dbraw/zinc/47/94/48/818479448.db2.gz NKMBYTFIVDTPCQ-UHFFFAOYSA-N -1 3 267.319 3.437 20 0 CGADHM C[C@@]1(F)CCCN(Cc2cc([O-])c(F)c(F)c2)CC1 ZINC001232970954 818488505 /nfs/dbraw/zinc/48/85/05/818488505.db2.gz ODZGWZJPIWQXPQ-CQSZACIVSA-N -1 3 273.298 3.385 20 0 CGADHM [O-]c1cc(CN2CCC3(CCCOC3)CC2)cc(F)c1F ZINC001232975158 818489946 /nfs/dbraw/zinc/48/99/46/818489946.db2.gz FESBQTBFIHVADF-UHFFFAOYSA-N -1 3 297.345 3.063 20 0 CGADHM C[C@@H]1C[C@@H](C)CCN1Cc1cc(Cl)ncc1[O-] ZINC001233035163 818504949 /nfs/dbraw/zinc/50/49/49/818504949.db2.gz YRLGZERFZLGFSB-VHSXEESVSA-N -1 3 254.761 3.061 20 0 CGADHM [O-]c1cccc(CN2CCCC(F)(F)[C@@H](F)C2)c1F ZINC001233050188 818511209 /nfs/dbraw/zinc/51/12/09/818511209.db2.gz LRYAQGNTMKFBOH-NSHDSACASA-N -1 3 277.261 3.101 20 0 CGADHM [O-]c1cccc(CN2CCOC[C@@H]2c2ccccc2)c1F ZINC001233050547 818511629 /nfs/dbraw/zinc/51/16/29/818511629.db2.gz PKKPAVLOPXJSQK-OAHLLOKOSA-N -1 3 287.334 3.105 20 0 CGADHM C[C@@]1(CF)CC(F)(F)CN1Cc1c(F)ccc([O-])c1F ZINC001233393661 818609192 /nfs/dbraw/zinc/60/91/92/818609192.db2.gz GEWACLZKDMMQPS-LBPRGKRZSA-N -1 3 295.251 3.240 20 0 CGADHM COc1ccc(CN2CC3(C2)CCCC3)c(Cl)c1[O-] ZINC001233398628 818610075 /nfs/dbraw/zinc/61/00/75/818610075.db2.gz SWQUIBCBSQZAPL-UHFFFAOYSA-N -1 3 281.783 3.430 20 0 CGADHM COC[C@H](C)OC[C@@H](C)Oc1cc(Cl)c([O-])cc1C ZINC001233591381 818652591 /nfs/dbraw/zinc/65/25/91/818652591.db2.gz GAINRVZFJZIPOC-WDEREUQCSA-N -1 3 288.771 3.173 20 0 CGADHM Cc1cc([O-])c(Cl)cc1O[C@H]1CCO[C@@H](C)C1 ZINC001233595136 818653614 /nfs/dbraw/zinc/65/36/14/818653614.db2.gz QLPVTJFGPYXRPX-UWVGGRQHSA-N -1 3 256.729 3.300 20 0 CGADHM Cc1cc([O-])c(Cl)cc1O[C@H]1CCn2ccnc21 ZINC001233593759 818654029 /nfs/dbraw/zinc/65/40/29/818654029.db2.gz ZKJMXKUNIAKJAH-NSHDSACASA-N -1 3 264.712 3.074 20 0 CGADHM Cc1cc([O-])c(Cl)cc1O[C@@H]1CCO[C@@H](C)C1 ZINC001233595138 818654113 /nfs/dbraw/zinc/65/41/13/818654113.db2.gz QLPVTJFGPYXRPX-VHSXEESVSA-N -1 3 256.729 3.300 20 0 CGADHM CC(C)C[C@H](Oc1cccc([O-])c1F)C(=O)OC(C)C ZINC001233867162 818721119 /nfs/dbraw/zinc/72/11/19/818721119.db2.gz CPAPRRJKFLFHPK-ZDUSSCGKSA-N -1 3 284.327 3.276 20 0 CGADHM COC(=O)c1ccc([C@H](C)Oc2cccc([O-])c2F)cc1 ZINC001233868620 818721185 /nfs/dbraw/zinc/72/11/85/818721185.db2.gz VCDFNGJJIHLPSK-JTQLQIEISA-N -1 3 290.290 3.458 20 0 CGADHM C[C@H](COc1ccccc1)Oc1cccc([O-])c1F ZINC001233871882 818721830 /nfs/dbraw/zinc/72/18/30/818721830.db2.gz RGCVPLWHDYJBOM-LLVKDONJSA-N -1 3 262.280 3.378 20 0 CGADHM CCC[C@H](Oc1cccc([O-])c1C(N)=O)[C@H](C)CC ZINC001234150520 818793161 /nfs/dbraw/zinc/79/31/61/818793161.db2.gz VNPNPRUADKYLAO-PWSUYJOCSA-N -1 3 265.353 3.085 20 0 CGADHM CCC(=O)[C@@H](CC)Oc1c(Cl)ccc([O-])c1F ZINC001234264864 818821216 /nfs/dbraw/zinc/82/12/16/818821216.db2.gz TVUYEJUNDSWUBY-SNVBAGLBSA-N -1 3 260.692 3.321 20 0 CGADHM C[C@H](Oc1nc2c(cccc2[O-])[nH]1)c1cnc2ccccn21 ZINC001234445576 818855875 /nfs/dbraw/zinc/85/58/75/818855875.db2.gz ADWVYWHLAVJRRB-JTQLQIEISA-N -1 3 294.314 3.056 20 0 CGADHM C[C@@H](Oc1nc2c(cccc2[O-])[nH]1)c1cccs1 ZINC001234448838 818857466 /nfs/dbraw/zinc/85/74/66/818857466.db2.gz CBNFLEGLDPXZGQ-MRVPVSSYSA-N -1 3 260.318 3.470 20 0 CGADHM Cc1ccc([C@H](C)Oc2nc3c(cccc3[O-])[nH]2)cn1 ZINC001234448580 818858259 /nfs/dbraw/zinc/85/82/59/818858259.db2.gz WSYBNWGODRAUCI-JTQLQIEISA-N -1 3 269.304 3.112 20 0 CGADHM CCOC(=O)[C@H]1CCC[C@H](Oc2nc3ccsc3[n-]2)C1 ZINC001234848279 818931558 /nfs/dbraw/zinc/93/15/58/818931558.db2.gz ORUYSZQSCDJRPY-UWVGGRQHSA-N -1 3 294.376 3.125 20 0 CGADHM CCOC(=O)[C@H]1CCC[C@H](Oc2nc3sccc3[n-]2)C1 ZINC001234848279 818931569 /nfs/dbraw/zinc/93/15/69/818931569.db2.gz ORUYSZQSCDJRPY-UWVGGRQHSA-N -1 3 294.376 3.125 20 0 CGADHM [O-]c1cc(Cl)cc(-c2cc(OCC3CC3)ncn2)c1 ZINC001235898432 819207589 /nfs/dbraw/zinc/20/75/89/819207589.db2.gz HMRCTRLAWGWSGI-UHFFFAOYSA-N -1 3 276.723 3.291 20 0 CGADHM [O-]c1cc(Cl)cc(-c2ccnc(N3CCCC3)n2)c1 ZINC001235898139 819207683 /nfs/dbraw/zinc/20/76/83/819207683.db2.gz AWXQGVTVOJBCNX-UHFFFAOYSA-N -1 3 275.739 3.103 20 0 CGADHM CC(=O)Nc1ccc(-c2cc([O-])cc(Cl)c2)nc1 ZINC001235899723 819208722 /nfs/dbraw/zinc/20/87/22/819208722.db2.gz TUGFUNKPKOWUEM-UHFFFAOYSA-N -1 3 262.696 3.066 20 0 CGADHM Cc1cnc(-c2cc([O-])cc(Cl)c2)nc1NC1CC1 ZINC001235900756 819210183 /nfs/dbraw/zinc/21/01/83/819210183.db2.gz XKDXNCBIUZVIAR-UHFFFAOYSA-N -1 3 275.739 3.385 20 0 CGADHM [O-]c1cc(Cl)cc(-c2ccc(Cn3ccnc3)cn2)c1 ZINC001235900159 819210645 /nfs/dbraw/zinc/21/06/45/819210645.db2.gz LNLYOWIJMDGLSZ-UHFFFAOYSA-N -1 3 285.734 3.352 20 0 CGADHM COc1cc(-c2cc([O-])cc(Cl)c2)nc(SC)n1 ZINC001235901217 819210767 /nfs/dbraw/zinc/21/07/67/819210767.db2.gz TZSDODHHQGIHCZ-UHFFFAOYSA-N -1 3 282.752 3.233 20 0 CGADHM CCc1ncc(F)c(-c2cc([O-])cc(Cl)c2)n1 ZINC001235901483 819212496 /nfs/dbraw/zinc/21/24/96/819212496.db2.gz VUXKOYXKXKQXFE-UHFFFAOYSA-N -1 3 252.676 3.204 20 0 CGADHM O=c1c(-c2cc([O-])cc(Cl)c2)cccn1-c1ccccn1 ZINC001235904020 819213087 /nfs/dbraw/zinc/21/30/87/819213087.db2.gz IQIVKLIDDULPDY-UHFFFAOYSA-N -1 3 298.729 3.259 20 0 CGADHM Cc1ccc(F)c(-c2cccn(CC3CC3)c2=O)c1[O-] ZINC001236413562 819458747 /nfs/dbraw/zinc/45/87/47/819458747.db2.gz CLQFGYSYRHHNAF-UHFFFAOYSA-N -1 3 273.307 3.078 20 0 CGADHM C[C@H]1CCN(Cc2ccc(F)c([O-])c2)CC1(F)F ZINC001236701271 819574889 /nfs/dbraw/zinc/57/48/89/819574889.db2.gz DEIQJOVPWAPFIL-VIFPVBQESA-N -1 3 259.271 3.008 20 0 CGADHM [O-]c1cc(CN2CC[C@@H](F)C(F)(F)CC2)ccc1F ZINC001236703279 819576759 /nfs/dbraw/zinc/57/67/59/819576759.db2.gz MQPYWHGHQADPFE-GFCCVEGCSA-N -1 3 277.261 3.101 20 0 CGADHM C[C@H]1Cc2ccccc2CN1Cc1ccc(F)c([O-])c1 ZINC001236712019 819580469 /nfs/dbraw/zinc/58/04/69/819580469.db2.gz YRURNXJHIUYHTH-LBPRGKRZSA-N -1 3 271.335 3.478 20 0 CGADHM Cc1ccn2cc(CN(C)Cc3ccc(F)c([O-])c3)nc2c1 ZINC001236715820 819580610 /nfs/dbraw/zinc/58/06/10/819580610.db2.gz ZMNZSVBVKDWSDR-UHFFFAOYSA-N -1 3 299.349 3.119 20 0 CGADHM COc1ccccc1CN(C)Cc1sc(=O)[n-]c1Cl ZINC001237150419 819679665 /nfs/dbraw/zinc/67/96/65/819679665.db2.gz PPYYFACBMCOCCD-UHFFFAOYSA-N -1 3 298.795 3.143 20 0 CGADHM O=c1[n-]c(Cl)c(CN2CC[C@@H]2c2ccccc2)s1 ZINC001237166633 819685651 /nfs/dbraw/zinc/68/56/51/819685651.db2.gz TVQYVJGZPOFIQC-SNVBAGLBSA-N -1 3 280.780 3.449 20 0 CGADHM O=c1[n-]c(Cl)c(CN(Cc2ccco2)C2CC2)s1 ZINC001237169535 819687978 /nfs/dbraw/zinc/68/79/78/819687978.db2.gz PKBLBPXEXVVXOG-UHFFFAOYSA-N -1 3 284.768 3.260 20 0 CGADHM Fc1ccccc1N1CCN(Cc2occc2[S-])CC1 ZINC001237179964 819688015 /nfs/dbraw/zinc/68/80/15/819688015.db2.gz VCSRFSQJEHAFGJ-UHFFFAOYSA-N -1 3 292.379 3.030 20 0 CGADHM CN(CCC(=O)c1cccs1)Cc1occc1[S-] ZINC001237185532 819691050 /nfs/dbraw/zinc/69/10/50/819691050.db2.gz YVPHFXASGHFGGU-UHFFFAOYSA-N -1 3 281.402 3.335 20 0 CGADHM CCOC(=O)COc1ccccc1-c1cccc([O-])c1F ZINC001243545546 823437769 /nfs/dbraw/zinc/43/77/69/823437769.db2.gz MIIVICCFSJKQIC-UHFFFAOYSA-N -1 3 290.290 3.140 20 0 CGADHM COC(OC)c1ccc(-c2cccc([O-])c2F)cc1 ZINC001243545458 823437836 /nfs/dbraw/zinc/43/78/36/823437836.db2.gz AWOSNXYFOZAAPO-UHFFFAOYSA-N -1 3 262.280 3.490 20 0 CGADHM O=C1Nc2cc(-c3cccc([O-])c3F)ccc2C12CC2 ZINC001243545627 823438087 /nfs/dbraw/zinc/43/80/87/823438087.db2.gz OTPNHSHXYYUYMG-UHFFFAOYSA-N -1 3 269.275 3.182 20 0 CGADHM [O-]c1cccc(-c2ccc(Cn3ccnc3)cc2)c1F ZINC001243545766 823438162 /nfs/dbraw/zinc/43/81/62/823438162.db2.gz BCYSYIGIUVGMFK-UHFFFAOYSA-N -1 3 268.291 3.443 20 0 CGADHM CC1(C)CNC(=O)c2ccc(-c3cccc([O-])c3F)cc21 ZINC001243545926 823438408 /nfs/dbraw/zinc/43/84/08/823438408.db2.gz RIELYTIPUJSAOH-UHFFFAOYSA-N -1 3 285.318 3.219 20 0 CGADHM CC1(C)C(=O)NCc2cc(-c3cccc([O-])c3F)ccc21 ZINC001243546306 823438785 /nfs/dbraw/zinc/43/87/85/823438785.db2.gz MNJWAPQCYVDMTA-UHFFFAOYSA-N -1 3 285.318 3.106 20 0 CGADHM COc1cc(-c2cccc([O-])c2F)ccc1NC(C)=O ZINC001243547306 823439470 /nfs/dbraw/zinc/43/94/70/823439470.db2.gz PKVNJNLCYFBYHI-UHFFFAOYSA-N -1 3 275.279 3.165 20 0 CGADHM Fc1cc(-c2coc3ccccc23)ccc1-c1nnn[n-]1 ZINC001239063056 820209730 /nfs/dbraw/zinc/20/97/30/820209730.db2.gz BPABWWPBBPAOIU-UHFFFAOYSA-N -1 3 280.262 3.419 20 0 CGADHM Fc1cc(-c2coc3ccccc23)ccc1-c1nn[n-]n1 ZINC001239063056 820209738 /nfs/dbraw/zinc/20/97/38/820209738.db2.gz BPABWWPBBPAOIU-UHFFFAOYSA-N -1 3 280.262 3.419 20 0 CGADHM Cc1cc(-c2nnn[n-]2)ccc1-c1c(F)cccc1F ZINC001239576072 820425828 /nfs/dbraw/zinc/42/58/28/820425828.db2.gz UAXCXQMFTOYHIA-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM Cc1cc(-c2nn[n-]n2)ccc1-c1c(F)cccc1F ZINC001239576072 820425834 /nfs/dbraw/zinc/42/58/34/820425834.db2.gz UAXCXQMFTOYHIA-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM CCc1ccc(-c2ccc(C)c(-c3nnn[n-]3)c2)cc1 ZINC001239587433 820437163 /nfs/dbraw/zinc/43/71/63/820437163.db2.gz JTQVTQNPEZYFGG-UHFFFAOYSA-N -1 3 264.332 3.405 20 0 CGADHM CCc1ccc(-c2ccc(C)c(-c3nn[n-]n3)c2)cc1 ZINC001239587433 820437164 /nfs/dbraw/zinc/43/71/64/820437164.db2.gz JTQVTQNPEZYFGG-UHFFFAOYSA-N -1 3 264.332 3.405 20 0 CGADHM c1cc2cc(-c3cccc(-c4nnn[n-]4)c3)ccc2[nH]1 ZINC001239696579 820528985 /nfs/dbraw/zinc/52/89/85/820528985.db2.gz WIYQSINLDUVSFH-UHFFFAOYSA-N -1 3 261.288 3.015 20 0 CGADHM c1cc2cc(-c3cccc(-c4nn[n-]n4)c3)ccc2[nH]1 ZINC001239696579 820528995 /nfs/dbraw/zinc/52/89/95/820528995.db2.gz WIYQSINLDUVSFH-UHFFFAOYSA-N -1 3 261.288 3.015 20 0 CGADHM CC(C)Oc1cccc(-c2ccc(-c3nnn[n-]3)cc2)c1 ZINC001239968801 820747992 /nfs/dbraw/zinc/74/79/92/820747992.db2.gz FWEVDTHOPBLYQA-UHFFFAOYSA-N -1 3 280.331 3.321 20 0 CGADHM CC(C)Oc1cccc(-c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001239968801 820747999 /nfs/dbraw/zinc/74/79/99/820747999.db2.gz FWEVDTHOPBLYQA-UHFFFAOYSA-N -1 3 280.331 3.321 20 0 CGADHM COc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1Cl ZINC001240030862 820796432 /nfs/dbraw/zinc/79/64/32/820796432.db2.gz FNQXBGJLBWPZCD-UHFFFAOYSA-N -1 3 286.722 3.196 20 0 CGADHM COc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC001240030862 820796438 /nfs/dbraw/zinc/79/64/38/820796438.db2.gz FNQXBGJLBWPZCD-UHFFFAOYSA-N -1 3 286.722 3.196 20 0 CGADHM Fc1cc(-c2nnn[n-]2)cc(-c2ccc3ncsc3c2)c1 ZINC001240347951 820983621 /nfs/dbraw/zinc/98/36/21/820983621.db2.gz XHBDFKSFTUCEMZ-UHFFFAOYSA-N -1 3 297.318 3.283 20 0 CGADHM Fc1cc(-c2nn[n-]n2)cc(-c2ccc3ncsc3c2)c1 ZINC001240347951 820983625 /nfs/dbraw/zinc/98/36/25/820983625.db2.gz XHBDFKSFTUCEMZ-UHFFFAOYSA-N -1 3 297.318 3.283 20 0 CGADHM Cc1cc(-c2nnn[n-]2)ccc1-c1cnn(CCC(C)C)c1 ZINC001240422466 821044647 /nfs/dbraw/zinc/04/46/47/821044647.db2.gz YRONEGAMCGKJGF-UHFFFAOYSA-N -1 3 296.378 3.085 20 0 CGADHM Cc1cc(-c2nn[n-]n2)ccc1-c1cnn(CCC(C)C)c1 ZINC001240422466 821044656 /nfs/dbraw/zinc/04/46/56/821044656.db2.gz YRONEGAMCGKJGF-UHFFFAOYSA-N -1 3 296.378 3.085 20 0 CGADHM c1cc2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc2[nH]1 ZINC001240798779 821342628 /nfs/dbraw/zinc/34/26/28/821342628.db2.gz GWPWDOVDORONDW-UHFFFAOYSA-N -1 3 261.288 3.015 20 0 CGADHM c1cc2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc2[nH]1 ZINC001240798779 821342637 /nfs/dbraw/zinc/34/26/37/821342637.db2.gz GWPWDOVDORONDW-UHFFFAOYSA-N -1 3 261.288 3.015 20 0 CGADHM Cc1cc(C(=O)OC(C)C)cnc1-c1ccc([O-])c(F)c1 ZINC001240781649 821321687 /nfs/dbraw/zinc/32/16/87/821321687.db2.gz DRHNCNCVLZXSKA-UHFFFAOYSA-N -1 3 289.306 3.467 20 0 CGADHM CCOC(=O)c1c(C)cc(-c2ccc([O-])c(F)c2)nc1C ZINC001240782041 821322406 /nfs/dbraw/zinc/32/24/06/821322406.db2.gz PEDVTPFJGLGWFW-UHFFFAOYSA-N -1 3 289.306 3.387 20 0 CGADHM COC(=O)c1cc(-c2ccc([O-])c(F)c2)c(F)cc1F ZINC001240785675 821325101 /nfs/dbraw/zinc/32/51/01/821325101.db2.gz AKFPFAFYIJSECU-UHFFFAOYSA-N -1 3 282.217 3.263 20 0 CGADHM Nc1nc2ccc(-c3ccc([O-])c(F)c3)cc2s1 ZINC001240786710 821326181 /nfs/dbraw/zinc/32/61/81/821326181.db2.gz QQZNFXNUMJYVEI-UHFFFAOYSA-N -1 3 260.293 3.390 20 0 CGADHM Cn1c(=O)ccc2cc(-c3ccc([O-])c(F)c3)ccc21 ZINC001240787143 821329314 /nfs/dbraw/zinc/32/93/14/821329314.db2.gz NUGLIEUWBRDDEU-UHFFFAOYSA-N -1 3 269.275 3.050 20 0 CGADHM Cc1nc(C(=O)OC(C)C)ccc1-c1ccc([O-])c(F)c1 ZINC001240790477 821334072 /nfs/dbraw/zinc/33/40/72/821334072.db2.gz LZXWFCVGIMSJEQ-UHFFFAOYSA-N -1 3 289.306 3.467 20 0 CGADHM COc1ccc(-c2ccc(C)c(-c3nnn[n-]3)c2)cc1C ZINC001240864723 821379847 /nfs/dbraw/zinc/37/98/47/821379847.db2.gz DKCOWDYSGFDAID-UHFFFAOYSA-N -1 3 280.331 3.159 20 0 CGADHM COc1ccc(-c2ccc(C)c(-c3nn[n-]n3)c2)cc1C ZINC001240864723 821379858 /nfs/dbraw/zinc/37/98/58/821379858.db2.gz DKCOWDYSGFDAID-UHFFFAOYSA-N -1 3 280.331 3.159 20 0 CGADHM Fc1ccc(-c2cccc3cccnc32)cc1-c1nnn[n-]1 ZINC001240896547 821399163 /nfs/dbraw/zinc/39/91/63/821399163.db2.gz ZIYRPNOYLRGWKG-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Fc1ccc(-c2cccc3cccnc32)cc1-c1nn[n-]n1 ZINC001240896547 821399175 /nfs/dbraw/zinc/39/91/75/821399175.db2.gz ZIYRPNOYLRGWKG-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM COc1c(C)cc(-c2ccc(C)c(-c3nnn[n-]3)c2)cc1C ZINC001241019946 821495688 /nfs/dbraw/zinc/49/56/88/821495688.db2.gz QHYYGMMMJHIJDF-UHFFFAOYSA-N -1 3 294.358 3.468 20 0 CGADHM COc1c(C)cc(-c2ccc(C)c(-c3nn[n-]n3)c2)cc1C ZINC001241019946 821495693 /nfs/dbraw/zinc/49/56/93/821495693.db2.gz QHYYGMMMJHIJDF-UHFFFAOYSA-N -1 3 294.358 3.468 20 0 CGADHM CN(Cc1ccc(-c2c(F)cc([O-])cc2F)nc1)C1CC1 ZINC001241120450 821575493 /nfs/dbraw/zinc/57/54/93/821575493.db2.gz VJRUNMWBDSZKNV-UHFFFAOYSA-N -1 3 290.313 3.327 20 0 CGADHM O=C([O-])c1ccc(-c2cncc3cc[nH]c32)cc1F ZINC001241185197 821623127 /nfs/dbraw/zinc/62/31/27/821623127.db2.gz HSZWIDXOHLPVMJ-UHFFFAOYSA-N -1 3 256.236 3.067 20 0 CGADHM CSc1ccnc(-c2cc([O-])cc(F)c2)c1F ZINC001241256379 821675880 /nfs/dbraw/zinc/67/58/80/821675880.db2.gz SAMUJQJENAROAB-UHFFFAOYSA-N -1 3 253.273 3.454 20 0 CGADHM [O-]c1cc(F)cc(-c2ncnc3ccc(F)cc32)c1 ZINC001241256770 821677306 /nfs/dbraw/zinc/67/73/06/821677306.db2.gz AQAPEUICMXWHLP-UHFFFAOYSA-N -1 3 258.227 3.281 20 0 CGADHM [O-]c1cc(F)cc(-c2ccc3c(c2)[C@@H](O)CCO3)c1 ZINC001241270814 821689005 /nfs/dbraw/zinc/68/90/05/821689005.db2.gz BCCRXUOYTZEQQW-AWEZNQCLSA-N -1 3 260.264 3.014 20 0 CGADHM CC1(C)C(=O)Nc2ccc(-c3cc([O-])cc(F)c3)cc21 ZINC001241271545 821689517 /nfs/dbraw/zinc/68/95/17/821689517.db2.gz QGDQCAAGAGVZBR-UHFFFAOYSA-N -1 3 271.291 3.428 20 0 CGADHM COC(=O)c1nc2ccc(-c3cc([O-])cc(F)c3)cc2o1 ZINC001241271043 821690177 /nfs/dbraw/zinc/69/01/77/821690177.db2.gz IQJRDDWUDASARG-UHFFFAOYSA-N -1 3 287.246 3.126 20 0 CGADHM O=c1ccc(-c2cc([O-])cc(F)c2)cn1CC1CCC1 ZINC001241280886 821699378 /nfs/dbraw/zinc/69/93/78/821699378.db2.gz XJIGWEGUEWOSFL-UHFFFAOYSA-N -1 3 273.307 3.160 20 0 CGADHM CC1(C)NC(=O)c2cc(-c3c(F)ccc([O-])c3F)ccc21 ZINC001241295746 821713440 /nfs/dbraw/zinc/71/34/40/821713440.db2.gz ZKZCYQPLYIMPAS-UHFFFAOYSA-N -1 3 289.281 3.316 20 0 CGADHM C[S@@](=O)c1ccccc1-c1ccc2c(c1)[N-]C(=S)C2 ZINC001241343177 821747969 /nfs/dbraw/zinc/74/79/69/821747969.db2.gz CJRWBNWNJOJLGE-LJQANCHMSA-N -1 3 287.409 3.386 20 0 CGADHM CC(C)(C)c1ccnc(-c2ccc(-c3nnn[n-]3)cc2)c1 ZINC001241441409 821836665 /nfs/dbraw/zinc/83/66/65/821836665.db2.gz KYAUROJCBVKGSG-UHFFFAOYSA-N -1 3 279.347 3.226 20 0 CGADHM CC(C)(C)c1ccnc(-c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001241441409 821836671 /nfs/dbraw/zinc/83/66/71/821836671.db2.gz KYAUROJCBVKGSG-UHFFFAOYSA-N -1 3 279.347 3.226 20 0 CGADHM CCc1cc(-c2ccc(-c3nnn[n-]3)cc2)ccc1F ZINC001241445936 821840997 /nfs/dbraw/zinc/84/09/97/821840997.db2.gz WWCXCCVSSCOAIB-UHFFFAOYSA-N -1 3 268.295 3.235 20 0 CGADHM CCc1cc(-c2ccc(-c3nn[n-]n3)cc2)ccc1F ZINC001241445936 821841006 /nfs/dbraw/zinc/84/10/06/821841006.db2.gz WWCXCCVSSCOAIB-UHFFFAOYSA-N -1 3 268.295 3.235 20 0 CGADHM COc1cc(-c2ccccc2-c2nnn[n-]2)ccc1Cl ZINC001241733447 822112073 /nfs/dbraw/zinc/11/20/73/822112073.db2.gz OVSRUUYHJNIKJD-UHFFFAOYSA-N -1 3 286.722 3.196 20 0 CGADHM COc1cc(-c2ccccc2-c2nn[n-]n2)ccc1Cl ZINC001241733447 822112075 /nfs/dbraw/zinc/11/20/75/822112075.db2.gz OVSRUUYHJNIKJD-UHFFFAOYSA-N -1 3 286.722 3.196 20 0 CGADHM S=c1ccc(-c2cnn(C3CCCCC3)c2)n[n-]1 ZINC001241838079 822174145 /nfs/dbraw/zinc/17/41/45/822174145.db2.gz MPOOMZMLPJKXQA-UHFFFAOYSA-N -1 3 260.366 3.134 20 0 CGADHM CO[C@@H](C)c1cccc(-c2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC001242035928 822299339 /nfs/dbraw/zinc/29/93/39/822299339.db2.gz CSGRYCALFFLYSE-JTQLQIEISA-N -1 3 298.321 3.380 20 0 CGADHM CO[C@@H](C)c1cccc(-c2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC001242035928 822299344 /nfs/dbraw/zinc/29/93/44/822299344.db2.gz CSGRYCALFFLYSE-JTQLQIEISA-N -1 3 298.321 3.380 20 0 CGADHM COC(=O)c1nc2nc(C=CCc3ccccc3)ccc2[n-]1 ZINC001242142526 822891531 /nfs/dbraw/zinc/89/15/31/822891531.db2.gz ANHHMMXNAXAAPY-WEVVVXLNSA-N -1 3 293.326 3.000 20 0 CGADHM COC(=O)c1nc2ccc(C=CCc3ccccc3)nc2[n-]1 ZINC001242142526 822891536 /nfs/dbraw/zinc/89/15/36/822891536.db2.gz ANHHMMXNAXAAPY-WEVVVXLNSA-N -1 3 293.326 3.000 20 0 CGADHM COC(=O)c1nc2ccc(C=CCc3ccccc3)[n-]c-2n1 ZINC001242142526 822891541 /nfs/dbraw/zinc/89/15/41/822891541.db2.gz ANHHMMXNAXAAPY-WEVVVXLNSA-N -1 3 293.326 3.000 20 0 CGADHM COc1ccncc1-c1ccc([O-])c(C(F)(F)F)c1 ZINC001242158371 822899387 /nfs/dbraw/zinc/89/93/87/822899387.db2.gz VLUYTGGVMVFYET-UHFFFAOYSA-N -1 3 269.222 3.482 20 0 CGADHM COc1cc(-c2ccc(F)cc2[O-])cc(F)c1F ZINC001242218286 822914776 /nfs/dbraw/zinc/91/47/76/822914776.db2.gz ZVVRBHYRAKIYMH-UHFFFAOYSA-N -1 3 254.207 3.485 20 0 CGADHM COc1ncnc2ccc(-c3ccc(F)cc3[O-])cc21 ZINC001242218157 822914864 /nfs/dbraw/zinc/91/48/64/822914864.db2.gz VPVZXNIJOUDVIN-UHFFFAOYSA-N -1 3 270.263 3.150 20 0 CGADHM CC(=O)N1CCc2cc(-c3ccc(F)cc3[O-])ccc21 ZINC001242217589 822914924 /nfs/dbraw/zinc/91/49/24/822914924.db2.gz FLAXNBSYBLBCFL-UHFFFAOYSA-N -1 3 271.291 3.107 20 0 CGADHM [O-]c1cc(F)ccc1-c1ccc2c(c1)[C@H](O)CCO2 ZINC001242218388 822915170 /nfs/dbraw/zinc/91/51/70/822915170.db2.gz BYQGOESYEACYAH-CYBMUJFWSA-N -1 3 260.264 3.014 20 0 CGADHM C[C@@H]1C(=O)Nc2cc(-c3ccc(F)cc3[O-])ccc21 ZINC001242218214 822915221 /nfs/dbraw/zinc/91/52/21/822915221.db2.gz XYJMAHJYIJKLTM-QMMMGPOBSA-N -1 3 257.264 3.254 20 0 CGADHM O=c1ccc(-c2ccc(F)cc2[O-])cn1-c1cccc(F)c1 ZINC001242218781 822915747 /nfs/dbraw/zinc/91/57/47/822915747.db2.gz ABUHPTKVCQRLOW-UHFFFAOYSA-N -1 3 299.276 3.488 20 0 CGADHM COC(=O)Cc1ccc(-c2ccc(F)cc2[O-])cc1F ZINC001242219430 822915802 /nfs/dbraw/zinc/91/58/02/822915802.db2.gz STISSDXUAVGCIL-UHFFFAOYSA-N -1 3 278.254 3.053 20 0 CGADHM CC1(C)CNc2cc(-c3ccc(F)cc3[O-])cnc21 ZINC001242220850 822916848 /nfs/dbraw/zinc/91/68/48/822916848.db2.gz DCSNBMPMKQATLV-UHFFFAOYSA-N -1 3 258.296 3.296 20 0 CGADHM Cc1cccc(-c2ccc(F)c(-c3nnn[n-]3)c2)c1F ZINC001242238235 822921825 /nfs/dbraw/zinc/92/18/25/822921825.db2.gz IGFDKUYULQNLBQ-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM Cc1cccc(-c2ccc(F)c(-c3nn[n-]n3)c2)c1F ZINC001242238235 822921827 /nfs/dbraw/zinc/92/18/27/822921827.db2.gz IGFDKUYULQNLBQ-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM Cc1ccc(-c2cc3c[nH]nc3cc2C)cc1-c1nn[n-]n1 ZINC001242284455 822938123 /nfs/dbraw/zinc/93/81/23/822938123.db2.gz PPVJXZJJPPSHNS-UHFFFAOYSA-N -1 3 290.330 3.027 20 0 CGADHM CC(C)S(=O)(=O)c1cccc(-c2cccc(F)c2[O-])c1 ZINC001242350808 822960933 /nfs/dbraw/zinc/96/09/33/822960933.db2.gz LYEDSKJECGOSBH-UHFFFAOYSA-N -1 3 294.347 3.380 20 0 CGADHM COCOc1ccc(C)cc1-c1cccc(F)c1[O-] ZINC001242351198 822961210 /nfs/dbraw/zinc/96/12/10/822961210.db2.gz QLXLBXGFYHJWAJ-UHFFFAOYSA-N -1 3 262.280 3.489 20 0 CGADHM CC(C)(C)NC(=O)c1cncc(-c2cccc(F)c2[O-])c1 ZINC001242352253 822961730 /nfs/dbraw/zinc/96/17/30/822961730.db2.gz DCOIWEVUERUSEM-UHFFFAOYSA-N -1 3 288.322 3.122 20 0 CGADHM COC(=O)CCc1cccc(-c2cccc(F)c2[O-])c1 ZINC001242352057 822961992 /nfs/dbraw/zinc/96/19/92/822961992.db2.gz JQHKHSCIANCZHQ-UHFFFAOYSA-N -1 3 274.291 3.304 20 0 CGADHM O=C1NCCC[C@@H]1c1ccc(-c2cccc(F)c2[O-])cc1 ZINC001242353871 822963156 /nfs/dbraw/zinc/96/31/56/822963156.db2.gz RTFRKBMJNTVGJA-CQSZACIVSA-N -1 3 285.318 3.192 20 0 CGADHM CC(C)n1nccc1-c1ccc2c(c1)[N-]C(=S)C2 ZINC001242558069 823031618 /nfs/dbraw/zinc/03/16/18/823031618.db2.gz FABBFBGSSFAVJZ-UHFFFAOYSA-N -1 3 257.362 3.426 20 0 CGADHM CC[C@@H]1CCN(Cc2c(F)ccc([O-])c2F)[C@H]1C ZINC001474460450 937861095 /nfs/dbraw/zinc/86/10/95/937861095.db2.gz YMCLFNPJADRSMC-VHSXEESVSA-N -1 3 255.308 3.291 20 0 CGADHM O=C(/C=C\c1nccs1)Nc1ccc(Cl)cc1[O-] ZINC001351536035 937019252 /nfs/dbraw/zinc/01/92/52/937019252.db2.gz LREBFMFMMNOYHT-ARJAWSKDSA-N -1 3 280.736 3.154 20 0 CGADHM CCC[C@@H](C)CCCOC(=O)CCc1c(C)nc[n-]c1=O ZINC001351458561 937017887 /nfs/dbraw/zinc/01/78/87/937017887.db2.gz QFOCDVNRPVBBCS-GFCCVEGCSA-N -1 3 294.395 3.183 20 0 CGADHM COC[C@@H](Sc1cc(Cl)nc(=O)[n-]1)c1ccccc1 ZINC001421282102 937246931 /nfs/dbraw/zinc/24/69/31/937246931.db2.gz ZAUHCVFSTDTDIN-SNVBAGLBSA-N -1 3 296.779 3.315 20 0 CGADHM CCn1cccc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC001546000392 937370942 /nfs/dbraw/zinc/37/09/42/937370942.db2.gz MNRZUERGVQQCJE-UHFFFAOYSA-N -1 3 264.712 3.119 20 0 CGADHM Cc1ccc2c(c1)CCN2C(=O)c1c(C)cccc1[O-] ZINC001448980677 937377331 /nfs/dbraw/zinc/37/73/31/937377331.db2.gz YUHLRWIAUJIPBK-UHFFFAOYSA-N -1 3 267.328 3.212 20 0 CGADHM C=C=CCNC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC001450169143 937383526 /nfs/dbraw/zinc/38/35/26/937383526.db2.gz NDNVSTMIEOTSNJ-UHFFFAOYSA-N -1 3 293.366 3.248 20 0 CGADHM O=C(c1cccc2n[n-]nc21)N(c1ccccc1)C1CCC1 ZINC001454266499 937407393 /nfs/dbraw/zinc/40/73/93/937407393.db2.gz KFXYAQFFWZODLZ-UHFFFAOYSA-N -1 3 292.342 3.157 20 0 CGADHM O=C([N-]c1cc(-c2cccs2)on1)c1cncs1 ZINC001457926439 937447229 /nfs/dbraw/zinc/44/72/29/937447229.db2.gz XQIBXPRQCBGQQJ-UHFFFAOYSA-N -1 3 277.330 3.112 20 0 CGADHM C=C/C=C/CCNC(=O)c1ccc(OCCCC)cc1[O-] ZINC001457987769 937447930 /nfs/dbraw/zinc/44/79/30/937447930.db2.gz YRHLXXFNGBYAMY-FNORWQNLSA-N -1 3 289.375 3.433 20 0 CGADHM Cc1ccc2oc(NCc3cc(=O)[n-]c(C4CC4)n3)nc2c1 ZINC001458601001 937469700 /nfs/dbraw/zinc/46/97/00/937469700.db2.gz HZUONOGQBYWNAE-UHFFFAOYSA-N -1 3 296.330 3.121 20 0 CGADHM CC(=O)c1cc(C(C)C)c([O-])cc1OC1CC2(COC2)C1 ZINC001228958679 932059368 /nfs/dbraw/zinc/05/93/68/932059368.db2.gz NXDFUBIBKKSXAV-UHFFFAOYSA-N -1 3 290.359 3.276 20 0 CGADHM C[C@H](Oc1cc(O)cc([O-])c1Br)C1CC1 ZINC001229100606 932095154 /nfs/dbraw/zinc/09/51/54/932095154.db2.gz RBBJLWPZFOKMAH-LURJTMIESA-N -1 3 273.126 3.038 20 0 CGADHM C[C@@H](Oc1cccc([O-])c1Br)c1ncccn1 ZINC001229140289 932104789 /nfs/dbraw/zinc/10/47/89/932104789.db2.gz ZQHSGSVXHBMNMG-MRVPVSSYSA-N -1 3 295.136 3.085 20 0 CGADHM CCCOC[C@H](C)Oc1nc(=S)[n-]c2sccc21 ZINC001229569489 932173440 /nfs/dbraw/zinc/17/34/40/932173440.db2.gz KDKATNRZZPSPDY-QMMMGPOBSA-N -1 3 284.406 3.174 20 0 CGADHM CC[C@@H](O)C(=O)Oc1cc([O-])cc(/C=C/c2ccccc2)c1 ZINC001229668784 932186564 /nfs/dbraw/zinc/18/65/64/932186564.db2.gz BFSZFONPSVJKKC-KBOKABMXSA-N -1 3 298.338 3.239 20 0 CGADHM Cc1nc(O[C@H](C)c2cccc(F)c2F)c(C)c(=O)[n-]1 ZINC001229684491 932188855 /nfs/dbraw/zinc/18/88/55/932188855.db2.gz CKSWEFAHJDKZEU-MRVPVSSYSA-N -1 3 280.274 3.217 20 0 CGADHM CC[C@@H](Oc1ccccc1-c1nnn[n-]1)C(C)(C)C ZINC001229953466 932507096 /nfs/dbraw/zinc/50/70/96/932507096.db2.gz BPFSITLQSOXQKC-GFCCVEGCSA-N -1 3 260.341 3.070 20 0 CGADHM CC[C@@H](Oc1ccccc1-c1nn[n-]n1)C(C)(C)C ZINC001229953466 932507099 /nfs/dbraw/zinc/50/70/99/932507099.db2.gz BPFSITLQSOXQKC-GFCCVEGCSA-N -1 3 260.341 3.070 20 0 CGADHM COc1ccc([C@H](C)Oc2ccccc2-c2nnn[n-]2)cc1 ZINC001229953973 932508078 /nfs/dbraw/zinc/50/80/78/932508078.db2.gz GVSYREKGOMBZSI-NSHDSACASA-N -1 3 296.330 3.015 20 0 CGADHM COc1ccc([C@H](C)Oc2ccccc2-c2nn[n-]n2)cc1 ZINC001229953973 932508082 /nfs/dbraw/zinc/50/80/82/932508082.db2.gz GVSYREKGOMBZSI-NSHDSACASA-N -1 3 296.330 3.015 20 0 CGADHM O=c1nc2cccc(Cl)c2c(OC2CCCC2)[n-]1 ZINC001230885323 932636118 /nfs/dbraw/zinc/63/61/18/932636118.db2.gz JTQDNEIDIISCPC-UHFFFAOYSA-N -1 3 264.712 3.310 20 0 CGADHM Cc1ccc(C(C)(C)NCc2ccc([O-])c(F)c2F)cn1 ZINC001462070326 937615773 /nfs/dbraw/zinc/61/57/73/937615773.db2.gz AREQMRACQPIVAY-UHFFFAOYSA-N -1 3 292.329 3.399 20 0 CGADHM O=c1nc2cccc(F)c2c(O[C@H]2CCC(F)(F)C2)[n-]1 ZINC001231074687 932672654 /nfs/dbraw/zinc/67/26/54/932672654.db2.gz RGVSEWYAPQUXMO-ZETCQYMHSA-N -1 3 284.237 3.041 20 0 CGADHM COc1ccc([C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001231073425 932672857 /nfs/dbraw/zinc/67/28/57/932672857.db2.gz KKVHPIBSURHYPD-LLVKDONJSA-N -1 3 296.330 3.015 20 0 CGADHM Cc1ccc(C(=O)NCCCc2ccsc2)c([O-])c1 ZINC001305875066 932871756 /nfs/dbraw/zinc/87/17/56/932871756.db2.gz STKTVZJFYPNPDE-UHFFFAOYSA-N -1 3 275.373 3.125 20 0 CGADHM CCCCCC[C@@H](CC)C(=O)Nc1ccncc1[O-] ZINC001306522993 932881539 /nfs/dbraw/zinc/88/15/39/932881539.db2.gz XYLNCUDYDQSMLI-GFCCVEGCSA-N -1 3 264.369 3.144 20 0 CGADHM COC(=O)c1cc(C)c(C(=O)[N-]c2cscc2Cl)o1 ZINC001462554888 937650414 /nfs/dbraw/zinc/65/04/14/937650414.db2.gz GFWSZQFLUAJCQU-UHFFFAOYSA-N -1 3 299.735 3.342 20 0 CGADHM [O-]c1ccc(CN[C@@H]2CCc3ccccc32)c(F)c1F ZINC001308853328 933190370 /nfs/dbraw/zinc/19/03/70/933190370.db2.gz DIJMFUVLGQCXRK-CYBMUJFWSA-N -1 3 275.298 3.448 20 0 CGADHM O=C(COC(=O)c1cc2ccsc2[n-]1)c1cccs1 ZINC001317835656 933657647 /nfs/dbraw/zinc/65/76/47/933657647.db2.gz OAOSYMFUFARQPJ-UHFFFAOYSA-N -1 3 291.353 3.331 20 0 CGADHM O=C(Cc1ccc([O-])c(Cl)c1)Nc1cccc(O)c1F ZINC001466118572 937706566 /nfs/dbraw/zinc/70/65/66/937706566.db2.gz KIRNOSFCEJPDEE-UHFFFAOYSA-N -1 3 295.697 3.072 20 0 CGADHM C[C@]1(C(=O)Nc2ccc(Cl)cc2[O-])C=CCC1 ZINC001466631796 937710913 /nfs/dbraw/zinc/71/09/13/937710913.db2.gz YFLVVGWCODWRBR-ZDUSSCGKSA-N -1 3 251.713 3.340 20 0 CGADHM Cc1ccc(C(=O)Nc2nccn2-c2ccccc2)c([O-])c1 ZINC001466837382 937712911 /nfs/dbraw/zinc/71/29/11/937712911.db2.gz RZUVKIRAHIYHKJ-UHFFFAOYSA-N -1 3 293.326 3.139 20 0 CGADHM CC1CCC(C)(CNC(=O)c2ccc(O)cc2[O-])CC1 ZINC001467757498 937722033 /nfs/dbraw/zinc/72/20/33/937722033.db2.gz RHUSBOLCEIWJOU-UHFFFAOYSA-N -1 3 277.364 3.044 20 0 CGADHM CO[C@@H]([C@@H](C)NC(=O)c1ccc(C(C)C)cc1[O-])C1CC1 ZINC001468086494 937724418 /nfs/dbraw/zinc/72/44/18/937724418.db2.gz ABZCMYMSPXHKGT-BZNIZROVSA-N -1 3 291.391 3.059 20 0 CGADHM CO[C@H]([C@H](C)NC(=O)c1ccc(C(C)C)cc1[O-])C1CC1 ZINC001468086496 937724455 /nfs/dbraw/zinc/72/44/55/937724455.db2.gz ABZCMYMSPXHKGT-MEDUHNTESA-N -1 3 291.391 3.059 20 0 CGADHM Cc1ccc(C(=O)Nc2ccnn2CC2CCC2)c([O-])c1C ZINC001471325059 937764248 /nfs/dbraw/zinc/76/42/48/937764248.db2.gz TZHBWBSLFUAKLJ-UHFFFAOYSA-N -1 3 299.374 3.258 20 0 CGADHM Cc1ccc(C(=O)N[C@H]2c3ccccc3CC[C@@H]2F)c([O-])c1 ZINC001471501621 937766143 /nfs/dbraw/zinc/76/61/43/937766143.db2.gz AANJBDQACGRJKI-RDJZCZTQSA-N -1 3 299.345 3.456 20 0 CGADHM CC[C@@H](CC(=O)[N-]Oc1ccccc1F)C(C)C ZINC001471717495 937768925 /nfs/dbraw/zinc/76/89/25/937768925.db2.gz SBEZMOMSJRXOAI-NSHDSACASA-N -1 3 253.317 3.308 20 0 CGADHM COc1cccc(C[C@H](C)CC(=O)[N-]OC(C)(C)C)c1 ZINC001333824077 936068803 /nfs/dbraw/zinc/06/88/03/936068803.db2.gz QUQAKUSKBNZUDH-LBPRGKRZSA-N -1 3 279.380 3.110 20 0 CGADHM CC(C)CONC(=O)N([O-])Cc1cccc2ccccc21 ZINC001334859597 936119008 /nfs/dbraw/zinc/11/90/08/936119008.db2.gz XVIHVSYXTYDYKW-UHFFFAOYSA-N -1 3 288.347 3.328 20 0 CGADHM CCc1ccc([O-])c(C(=O)N(C)[C@@H]2CC[C@H](SC)C2)c1 ZINC001337058286 936234789 /nfs/dbraw/zinc/23/47/89/936234789.db2.gz XAHMDWXYLBSSSA-OLZOCXBDSA-N -1 3 293.432 3.311 20 0 CGADHM Cc1cccc([C@H](C)N2Cc3nc(C4CC4)[n-]c(=O)c3C2)c1 ZINC001473765420 937821330 /nfs/dbraw/zinc/82/13/30/937821330.db2.gz GHSFCBSDKTWDBD-LBPRGKRZSA-N -1 3 295.386 3.445 20 0 CGADHM CC(C)(CNCc1ccc([O-])c(F)c1F)C(F)(F)F ZINC001474469666 937861866 /nfs/dbraw/zinc/86/18/66/937861866.db2.gz YPHUDJCYBHJCQY-UHFFFAOYSA-N -1 3 283.240 3.349 20 0 CGADHM Cc1nc(-c2ccc(C(=O)[N-]c3cnoc3)s2)cs1 ZINC001520328343 938024798 /nfs/dbraw/zinc/02/47/98/938024798.db2.gz UWBQKFLWSIECKL-UHFFFAOYSA-N -1 3 291.357 3.420 20 0 CGADHM O=C([N-]c1ccnc(F)c1F)c1ccc(C(F)F)o1 ZINC001529409684 938072893 /nfs/dbraw/zinc/07/28/93/938072893.db2.gz XKCWQJPGHNNHDX-UHFFFAOYSA-N -1 3 274.173 3.143 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)Nc1ccccc1Cl ZINC001538807644 938120741 /nfs/dbraw/zinc/12/07/41/938120741.db2.gz YOSXEPKWKCGTPJ-UHFFFAOYSA-N -1 3 279.698 3.366 20 0 CGADHM CCc1ccc(C(=O)NC[C@@H](SC)C(C)(C)C)c([O-])c1 ZINC001556174060 938202124 /nfs/dbraw/zinc/20/21/24/938202124.db2.gz XWSVEXXCGHDJFN-CQSZACIVSA-N -1 3 295.448 3.462 20 0 CGADHM O=C(Nc1ncccc1[O-])C1(CCc2ccccc2)CC1 ZINC001556164530 938202252 /nfs/dbraw/zinc/20/22/52/938202252.db2.gz HKUZJKZWPYTNLK-UHFFFAOYSA-N -1 3 282.343 3.139 20 0 CGADHM CC(C)c1nc(C(=O)Nc2c([O-])cccc2Cl)c[nH]1 ZINC001556784557 938205652 /nfs/dbraw/zinc/20/56/52/938205652.db2.gz XLMLUDIMLIKMNY-UHFFFAOYSA-N -1 3 279.727 3.144 20 0 CGADHM COC1(CNC(=O)c2c(C)cccc2[O-])CCCCCC1 ZINC001558722074 938217349 /nfs/dbraw/zinc/21/73/49/938217349.db2.gz UOFYONIACXLHGK-UHFFFAOYSA-N -1 3 291.391 3.170 20 0 CGADHM CSc1cccnc1NCc1ccc([O-])c(F)c1 ZINC001560916597 938283819 /nfs/dbraw/zinc/28/38/19/938283819.db2.gz RMHJAAALMPJOMY-UHFFFAOYSA-N -1 3 264.325 3.260 20 0 CGADHM C[C@@H]1CSCCN(Cc2cccc(C(=O)[O-])c2Cl)C1 ZINC000379422909 971635020 /nfs/dbraw/zinc/63/50/20/971635020.db2.gz BUWPWQCERYRPGA-JTQLQIEISA-N -1 3 299.823 3.223 20 0 CGADHM Cc1cc(CN[C@H]2C[C@H](C(=O)[O-])c3ccccc32)cc(C)n1 ZINC001594304043 957944570 /nfs/dbraw/zinc/94/45/70/957944570.db2.gz DHEQICARBGOYBN-IRXDYDNUSA-N -1 3 296.370 3.101 20 0 CGADHM C[C@@H](NCc1ccsc1C(=O)[O-])c1cccs1 ZINC000235225824 960401469 /nfs/dbraw/zinc/40/14/69/960401469.db2.gz KLNZQGQUKSCURI-MRVPVSSYSA-N -1 3 267.375 3.359 20 0 CGADHM Cc1sc(C(=O)[O-])cc1CN[C@@H](C)c1cccnc1 ZINC000235527250 960454289 /nfs/dbraw/zinc/45/42/89/960454289.db2.gz YQCZWUVCGPAJSR-VIFPVBQESA-N -1 3 276.361 3.001 20 0 CGADHM C[C@@H](NC(=O)c1ccc(O)cc1[O-])c1ccc2c(c1)CCC2 ZINC001567155348 961123603 /nfs/dbraw/zinc/12/36/03/961123603.db2.gz XXMFSHIZDPIBJS-LLVKDONJSA-N -1 3 297.354 3.078 20 0 CGADHM CC(=O)c1ccc(C(=O)N2C[C@@H](C)c3ccccc32)cc1[O-] ZINC001570500026 961977881 /nfs/dbraw/zinc/97/78/81/961977881.db2.gz FFVMFYDTZCKBEU-LLVKDONJSA-N -1 3 295.338 3.359 20 0 CGADHM CC(C)CCC(=O)Nc1ccc(C2CC2)c(-c2nnn[n-]2)c1 ZINC001574184838 962292453 /nfs/dbraw/zinc/29/24/53/962292453.db2.gz OQJRYBVNZRWHBU-UHFFFAOYSA-N -1 3 299.378 3.119 20 0 CGADHM CC(C)CCC(=O)Nc1ccc(C2CC2)c(-c2nn[n-]n2)c1 ZINC001574184838 962292473 /nfs/dbraw/zinc/29/24/73/962292473.db2.gz OQJRYBVNZRWHBU-UHFFFAOYSA-N -1 3 299.378 3.119 20 0 CGADHM O=C([O-])c1ccc(CN2CCCC3(CCCC3)CC2)[nH]1 ZINC001574966162 962339036 /nfs/dbraw/zinc/33/90/36/962339036.db2.gz HXZQPGNXKGCGGY-UHFFFAOYSA-N -1 3 276.380 3.259 20 0 CGADHM Fc1ccc(-c2nnn[n-]2)c(NC/C=C\c2ccccc2)c1 ZINC001581853514 962748308 /nfs/dbraw/zinc/74/83/08/962748308.db2.gz LZCPAQHEFWEIAW-DAXSKMNVSA-N -1 3 295.321 3.131 20 0 CGADHM Fc1ccc(-c2nn[n-]n2)c(NC/C=C\c2ccccc2)c1 ZINC001581853514 962748315 /nfs/dbraw/zinc/74/83/15/962748315.db2.gz LZCPAQHEFWEIAW-DAXSKMNVSA-N -1 3 295.321 3.131 20 0 CGADHM CCc1ccc(C(=O)NCc2c(C)cccc2F)c([O-])c1 ZINC001586835366 963144163 /nfs/dbraw/zinc/14/41/63/963144163.db2.gz HFOYJPDLZNABOA-UHFFFAOYSA-N -1 3 287.334 3.332 20 0 CGADHM CCC[C@]1(C)CCCN(C(=O)c2c([O-])cccc2OC)C1 ZINC001586989425 963159852 /nfs/dbraw/zinc/15/98/52/963159852.db2.gz JFACMSWXJALXEV-QGZVFWFLSA-N -1 3 291.391 3.443 20 0 CGADHM C/C(=C\Cl)CSc1cc(F)ccc1-c1nnn[n-]1 ZINC001588769799 963317124 /nfs/dbraw/zinc/31/71/24/963317124.db2.gz YDXWROCYDHNWHP-FNORWQNLSA-N -1 3 284.747 3.241 20 0 CGADHM C/C(=C\Cl)CSc1cc(F)ccc1-c1nn[n-]n1 ZINC001588769799 963317133 /nfs/dbraw/zinc/31/71/33/963317133.db2.gz YDXWROCYDHNWHP-FNORWQNLSA-N -1 3 284.747 3.241 20 0 CGADHM C[C@H](CN(C)[C@@H](C)c1cccc(Cl)c1F)C(=O)[O-] ZINC001589032784 963341622 /nfs/dbraw/zinc/34/16/22/963341622.db2.gz MUTMVVKQMIDBSX-BDAKNGLRSA-N -1 3 273.735 3.193 20 0 CGADHM C[C@@H](CN(C)[C@@H](C)c1cccc(Cl)c1F)C(=O)[O-] ZINC001589032788 963343624 /nfs/dbraw/zinc/34/36/24/963343624.db2.gz MUTMVVKQMIDBSX-IUCAKERBSA-N -1 3 273.735 3.193 20 0 CGADHM CC(C)=CCSCc1ccc(-c2nnn[n-]2)s1 ZINC001589380035 963986652 /nfs/dbraw/zinc/98/66/52/963986652.db2.gz JTUYWFWUMURIGR-UHFFFAOYSA-N -1 3 266.395 3.128 20 0 CGADHM C[C@H](CC(C)(C)CC(=O)[O-])NCc1ncc(Cl)s1 ZINC001592444347 978103664 /nfs/dbraw/zinc/10/36/64/978103664.db2.gz CPUJRVROISYZRJ-MRVPVSSYSA-N -1 3 290.816 3.166 20 0 CGADHM CCCN(CC(C)C)[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001595862669 982798381 /nfs/dbraw/zinc/79/83/81/982798381.db2.gz DWZNHAOWBJRTRU-SNVBAGLBSA-N -1 3 270.398 3.270 20 0 CGADHM Cc1[nH]c(CN2CCC(C(C)(C)C)CC2)cc1C(=O)[O-] ZINC001599961056 985782231 /nfs/dbraw/zinc/78/22/31/985782231.db2.gz BWNCVEFABDLJHS-UHFFFAOYSA-N -1 3 278.396 3.279 20 0 CGADHM CCc1[nH]c(CN(C)[C@H]2CCc3ccccc32)cc1C(=O)[O-] ZINC001597380694 987578823 /nfs/dbraw/zinc/57/88/23/987578823.db2.gz WPKSFBQRIFFQEX-KRWDZBQOSA-N -1 3 298.386 3.395 20 0 CGADHM CCc1[nH]c(CN[C@@H](C)c2cccs2)cc1C(=O)[O-] ZINC001597395388 987647081 /nfs/dbraw/zinc/64/70/81/987647081.db2.gz UBHIUIQHRKHFDR-VIFPVBQESA-N -1 3 278.377 3.188 20 0 CGADHM CCc1cccc(CN[C@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC001597586742 988404919 /nfs/dbraw/zinc/40/49/19/988404919.db2.gz JEAYFKKUEVZLKU-INIZCTEOSA-N -1 3 287.334 3.304 20 0 CGADHM CCc1oc(CN2CC3(CCC3)[C@H]2C2CC2)cc1C(=O)[O-] ZINC001597797189 989359966 /nfs/dbraw/zinc/35/99/66/989359966.db2.gz XABLDFSUIWIMKV-OAHLLOKOSA-N -1 3 289.375 3.305 20 0 CGADHM CCc1oc(CN[C@@H]2C[C@H]2CC(C)C)cc1C(=O)[O-] ZINC001597804534 989407219 /nfs/dbraw/zinc/40/72/19/989407219.db2.gz HIPSQEXFADHSTL-ZWNOBZJWSA-N -1 3 265.353 3.064 20 0 CGADHM CC(C)[C@@H](NCc1ccc(C(=O)[O-])[nH]1)c1ccccc1F ZINC001591030054 991329635 /nfs/dbraw/zinc/32/96/35/991329635.db2.gz BSRALEVEGJCLNG-OAHLLOKOSA-N -1 3 290.338 3.339 20 0 CGADHM C[C@H](N[C@@H](C(=O)[O-])c1ccc(Cl)cc1)c1cccnc1 ZINC001593190972 994129855 /nfs/dbraw/zinc/12/98/55/994129855.db2.gz ZXXLDOSGHLJYRN-IINYFYTJSA-N -1 3 290.750 3.212 20 0 CGADHM C[C@H](c1ncc(C(=O)[O-])s1)N(C)C(C1CC1)C1CC1 ZINC001593734380 996324415 /nfs/dbraw/zinc/32/44/15/996324415.db2.gz UCRUFODTGVGJAQ-MRVPVSSYSA-N -1 3 280.393 3.023 20 0 CGADHM CCc1cccc(C(=O)N(C)C[C@@H]2CC2(C)C)c1[O-] ZINC000621050944 349453093 /nfs/dbraw/zinc/45/30/93/349453093.db2.gz YRRPGYULLFVLSB-LBPRGKRZSA-N -1 3 261.365 3.073 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CCOc3ccccc3[C@@H]2C)c1 ZINC000621142033 349463099 /nfs/dbraw/zinc/46/30/99/349463099.db2.gz PNGMHISVGNRFIA-ZDUSSCGKSA-N -1 3 297.354 3.296 20 0 CGADHM CCCCCC(=O)N=c1cc(-c2ccccc2OC)[n-][nH]1 ZINC000621530515 349541681 /nfs/dbraw/zinc/54/16/81/349541681.db2.gz PZBFJHWMPVEVBY-UHFFFAOYSA-N -1 3 287.363 3.026 20 0 CGADHM CC(C)(C)c1ccc(NC(=O)c2cncs2)c([O-])c1 ZINC000337671492 214208463 /nfs/dbraw/zinc/20/84/63/214208463.db2.gz XQJADUHOKMJWAC-UHFFFAOYSA-N -1 3 276.361 3.399 20 0 CGADHM O=C(Nc1ccc([O-])cc1F)[C@@H]1C[C@H]1C1CCCC1 ZINC000651687442 398269626 /nfs/dbraw/zinc/26/96/26/398269626.db2.gz CPYBTBAKUSVGBS-NWDGAFQWSA-N -1 3 263.312 3.296 20 0 CGADHM CN(C(=O)c1cc([O-])cc(C(F)(F)F)c1)C1CCC1 ZINC000621885804 349602752 /nfs/dbraw/zinc/60/27/52/349602752.db2.gz AILCBSGOEYOMMM-UHFFFAOYSA-N -1 3 273.254 3.036 20 0 CGADHM COc1cc(C(=O)[N-]c2nc(C(C)C)c(C)s2)sn1 ZINC000622136137 349634366 /nfs/dbraw/zinc/63/43/66/349634366.db2.gz VOWZXQXDKWOXIH-UHFFFAOYSA-N -1 3 297.405 3.292 20 0 CGADHM CC1(C)C[C@@]1(C)NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622178670 349642201 /nfs/dbraw/zinc/64/22/01/349642201.db2.gz FQTUYCZIOZPMPP-CYBMUJFWSA-N -1 3 287.281 3.329 20 0 CGADHM CC[C@@H](C)[C@H]1CCCCN1C(=O)c1cc(OC)ccc1[O-] ZINC000436526091 529425869 /nfs/dbraw/zinc/42/58/69/529425869.db2.gz CLEWNULQVGGGMF-IUODEOHRSA-N -1 3 291.391 3.442 20 0 CGADHM CC[C@@H]1C[C@H](C)CN1C(=O)c1ccc(C)c(C)c1[O-] ZINC000436590329 529439566 /nfs/dbraw/zinc/43/95/66/529439566.db2.gz SLEYLYJNQYYWOB-GXFFZTMASA-N -1 3 261.365 3.270 20 0 CGADHM CCc1[n-][nH]c(=NC(=O)c2cc(C)ccc2C2CC2)c1C ZINC000425169140 529460420 /nfs/dbraw/zinc/46/04/20/529460420.db2.gz JAMUJKDUOOGERZ-UHFFFAOYSA-N -1 3 283.375 3.141 20 0 CGADHM Cc1ccc(C)c(NC(=O)Cc2ccc([O-])c(F)c2)c1 ZINC000622272112 349665526 /nfs/dbraw/zinc/66/55/26/349665526.db2.gz HCZJZZWKKYRQTF-UHFFFAOYSA-N -1 3 273.307 3.329 20 0 CGADHM Cc1ccc(F)cc1NC(=O)Cc1ccc([O-])c(F)c1 ZINC000622275574 349666920 /nfs/dbraw/zinc/66/69/20/349666920.db2.gz KHDQPDJZSSFPLF-UHFFFAOYSA-N -1 3 277.270 3.160 20 0 CGADHM CCc1cccc(C(=O)NCCOC2CCCCC2)c1[O-] ZINC000622323000 349672106 /nfs/dbraw/zinc/67/21/06/349672106.db2.gz OCGNLDWGJCHIPF-UHFFFAOYSA-N -1 3 291.391 3.034 20 0 CGADHM Cc1ccc([O-])c(C(=O)NCc2cnccc2C(C)(C)C)c1 ZINC000622703898 349694985 /nfs/dbraw/zinc/69/49/85/349694985.db2.gz FBIJOTAEPJMRAA-UHFFFAOYSA-N -1 3 298.386 3.323 20 0 CGADHM C[C@H]1CCCC[C@@H]1CC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000591175159 346907188 /nfs/dbraw/zinc/90/71/88/346907188.db2.gz HPLQEXFJLVKJOB-WCQYABFASA-N -1 3 299.378 3.022 20 0 CGADHM C[C@H]1CCCC[C@@H]1CC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000591175159 346907190 /nfs/dbraw/zinc/90/71/90/346907190.db2.gz HPLQEXFJLVKJOB-WCQYABFASA-N -1 3 299.378 3.022 20 0 CGADHM CCc1cc(NC(=O)c2c([O-])cccc2O)ccc1F ZINC000436712006 529551349 /nfs/dbraw/zinc/55/13/49/529551349.db2.gz LZDMFFFQZXNBGD-UHFFFAOYSA-N -1 3 275.279 3.052 20 0 CGADHM CC[C@H](NC(=O)c1ccccc1[O-])c1nc2ccccc2[nH]1 ZINC000436746521 529573143 /nfs/dbraw/zinc/57/31/43/529573143.db2.gz HTQZHYAFMPUQGV-LBPRGKRZSA-N -1 3 295.342 3.150 20 0 CGADHM CN(Cc1c(F)ccc([O-])c1F)C(C1CC1)C1CC1 ZINC000350870594 219066881 /nfs/dbraw/zinc/06/68/81/219066881.db2.gz OGHWFFRYCULGCQ-UHFFFAOYSA-N -1 3 267.319 3.291 20 0 CGADHM CCc1ccc(C(=O)N2CC[C@@H](C)C[C@@H](C)C2)c([O-])c1 ZINC000436830945 529599868 /nfs/dbraw/zinc/59/98/68/529599868.db2.gz OSZACKAPLDBYRZ-CHWSQXEVSA-N -1 3 275.392 3.463 20 0 CGADHM CCc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)[C@H]2C)c([O-])c1 ZINC000436984522 529601483 /nfs/dbraw/zinc/60/14/83/529601483.db2.gz BTVSYDZZSABGHB-JHJVBQTASA-N -1 3 275.392 3.461 20 0 CGADHM CC[C@H](N[C@@H](C)c1nc(C)cc(=O)[n-]1)c1cccs1 ZINC000192777229 529653282 /nfs/dbraw/zinc/65/32/82/529653282.db2.gz GAEKXOMRJQLQDS-QWRGUYRKSA-N -1 3 277.393 3.354 20 0 CGADHM CCc1ccc(CN(C)C(=O)c2ccc([O-])c(OC)c2)cc1 ZINC000436706610 529634759 /nfs/dbraw/zinc/63/47/59/529634759.db2.gz SIIVHVNHIWNQTL-UHFFFAOYSA-N -1 3 299.370 3.235 20 0 CGADHM CC[C@@H](NC(=O)c1ccc(C(C)=O)c([O-])c1)[C@H]1CC1(C)C ZINC000420150374 529667881 /nfs/dbraw/zinc/66/78/81/529667881.db2.gz KOSAFKAKMBXELT-ZIAGYGMSSA-N -1 3 289.375 3.149 20 0 CGADHM COc1cccc(C(=O)N[C@H]2CCc3c2cccc3C)c1[O-] ZINC000591464804 346925046 /nfs/dbraw/zinc/92/50/46/346925046.db2.gz IOYACQMDEGTWGE-HNNXBMFYSA-N -1 3 297.354 3.127 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CC(C)(C)C[C@H]2C)c1 ZINC000412779673 529690534 /nfs/dbraw/zinc/69/05/34/529690534.db2.gz KIJYWQCQNVCGMW-LLVKDONJSA-N -1 3 261.365 3.215 20 0 CGADHM CCc1ccc([O-])c(-c2nc(-c3ccnc(C)c3)no2)c1 ZINC000436956852 529690803 /nfs/dbraw/zinc/69/08/03/529690803.db2.gz PUTPZSMNSDYGGI-UHFFFAOYSA-N -1 3 281.315 3.375 20 0 CGADHM CCc1ccc([O-])c(C(=O)N(C)Cc2cccs2)c1 ZINC000623467212 349814649 /nfs/dbraw/zinc/81/46/49/349814649.db2.gz OADUAQSXBAFFMX-UHFFFAOYSA-N -1 3 275.373 3.288 20 0 CGADHM CO[C@H]1CCN(Cc2cccc([O-])c2Cl)CC1(C)C ZINC000295010233 199297276 /nfs/dbraw/zinc/29/72/76/199297276.db2.gz MACQMLIBVKDZSI-ZDUSSCGKSA-N -1 3 283.799 3.293 20 0 CGADHM CC(F)(F)C(=O)[N-]C(C)(C)c1cccc(Cl)c1 ZINC000295031070 199309494 /nfs/dbraw/zinc/30/94/94/199309494.db2.gz OPDUZCZWHGIZDO-UHFFFAOYSA-N -1 3 261.699 3.347 20 0 CGADHM O=C(Nc1cccc(F)c1)c1c[n-]nc1-c1ccccc1 ZINC000021217016 344893149 /nfs/dbraw/zinc/89/31/49/344893149.db2.gz NGWVHANUNKYOQX-UHFFFAOYSA-N -1 3 281.290 3.468 20 0 CGADHM O=C(Nc1ncccc1[O-])c1cc2cc(F)ccc2s1 ZINC000022264164 344895337 /nfs/dbraw/zinc/89/53/37/344895337.db2.gz ITBQWQPFSOFSPP-UHFFFAOYSA-N -1 3 288.303 3.393 20 0 CGADHM CC(C)OCc1ccccc1CNC(=O)c1ccccc1[O-] ZINC000031340601 344926273 /nfs/dbraw/zinc/92/62/73/344926273.db2.gz DUADZZNLGZDKOA-UHFFFAOYSA-N -1 3 299.370 3.247 20 0 CGADHM Cc1ccc(C(=O)NCC(C)(C)c2ccccc2)c([O-])c1 ZINC000031369835 344926326 /nfs/dbraw/zinc/92/63/26/344926326.db2.gz GPJZXSQJIFICTQ-UHFFFAOYSA-N -1 3 283.371 3.408 20 0 CGADHM CCc1cccc(NC(=O)c2c[n-]c3ccccc3c2=O)c1 ZINC000031544960 344926496 /nfs/dbraw/zinc/92/64/96/344926496.db2.gz BQSBVSOIOIHGAM-UHFFFAOYSA-N -1 3 292.338 3.343 20 0 CGADHM CCc1cccc(NC(=O)c2cnc3ccccc3c2[O-])c1 ZINC000031544960 344926501 /nfs/dbraw/zinc/92/65/01/344926501.db2.gz BQSBVSOIOIHGAM-UHFFFAOYSA-N -1 3 292.338 3.343 20 0 CGADHM O=C(NCCCC1CCCC1)c1c[n-]c2ccccc2c1=O ZINC000033006484 344934624 /nfs/dbraw/zinc/93/46/24/344934624.db2.gz YTNLXRYCJWUXTP-UHFFFAOYSA-N -1 3 298.386 3.228 20 0 CGADHM O=C(Nc1ccccc1[O-])[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000029769670 344919524 /nfs/dbraw/zinc/91/95/24/344919524.db2.gz YZVGJVZNFPMYQT-OLZOCXBDSA-N -1 3 271.291 3.274 20 0 CGADHM CC(=O)Nc1cc(C(=O)Nc2ccc(C)cc2[O-])ccc1C ZINC000046811091 345044996 /nfs/dbraw/zinc/04/49/96/345044996.db2.gz HNXGADBKMLMWMM-UHFFFAOYSA-N -1 3 298.342 3.220 20 0 CGADHM C[C@@]1(C(=O)[O-])CCCN(CCSc2ccccc2F)C1 ZINC000062877077 345240678 /nfs/dbraw/zinc/24/06/78/345240678.db2.gz MAFBEMPCTGPPRM-OAHLLOKOSA-N -1 3 297.395 3.105 20 0 CGADHM Cc1cc(C(=O)[N-]c2cc(F)ccc2Cl)on1 ZINC000076179591 345537816 /nfs/dbraw/zinc/53/78/16/345537816.db2.gz GTIPAUOYDNAMAV-UHFFFAOYSA-N -1 3 254.648 3.028 20 0 CGADHM Cc1c(C(=O)Nc2ccc(Cl)cc2[O-])cnn1C(C)C ZINC000092551737 345844692 /nfs/dbraw/zinc/84/46/92/345844692.db2.gz VHDXMUJRIPEZIQ-UHFFFAOYSA-N -1 3 293.754 3.384 20 0 CGADHM COc1cc(F)c(NC(=O)c2cccc(C)c2[O-])cc1F ZINC000163277386 232256925 /nfs/dbraw/zinc/25/69/25/232256925.db2.gz ZNQMHTVXUWWAFE-UHFFFAOYSA-N -1 3 293.269 3.240 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2C[C@H](C)C[C@H](C)[C@@H]2C)c1 ZINC000166847570 232263301 /nfs/dbraw/zinc/26/33/01/232263301.db2.gz FROMTFKKYJPZQC-AGIUHOORSA-N -1 3 261.365 3.207 20 0 CGADHM Cc1cccc(C(=O)N(Cc2cccnc2)C(C)C)c1[O-] ZINC000094020622 345894462 /nfs/dbraw/zinc/89/44/62/345894462.db2.gz OIUGGPRAQPPOGO-UHFFFAOYSA-N -1 3 284.359 3.146 20 0 CGADHM CCc1cccc(C(=O)N[C@@H](CC)c2nccs2)c1[O-] ZINC000094163458 345897208 /nfs/dbraw/zinc/89/72/08/345897208.db2.gz AKBSDTFVDMICHU-LBPRGKRZSA-N -1 3 290.388 3.292 20 0 CGADHM Cc1cc(N[C@H]2CC[C@@H](C(=O)[O-])C2)c2ccccc2n1 ZINC000097064939 345907243 /nfs/dbraw/zinc/90/72/43/345907243.db2.gz HXHBQVLQAZJIHJ-NEPJUHHUSA-N -1 3 270.332 3.208 20 0 CGADHM Cc1cc([N-]C(=O)c2cc3cc(F)ccc3o2)no1 ZINC000117746389 345985903 /nfs/dbraw/zinc/98/59/03/345985903.db2.gz SCZRJHMEVXHWMV-UHFFFAOYSA-N -1 3 260.224 3.121 20 0 CGADHM O=C([N-]c1nc2c(s1)CCC2)c1c(F)ccc(F)c1F ZINC000120427034 345998089 /nfs/dbraw/zinc/99/80/89/345998089.db2.gz KXZDKACBUJJSEH-UHFFFAOYSA-N -1 3 298.289 3.301 20 0 CGADHM CC(C)CN(CC(=O)[O-])Cc1cc(F)ccc1Cl ZINC000124461579 346013208 /nfs/dbraw/zinc/01/32/08/346013208.db2.gz BVCVKLZVKRAPQS-UHFFFAOYSA-N -1 3 273.735 3.022 20 0 CGADHM Cc1c(C(=O)Nc2cccc([O-])c2F)cnn1C(C)(C)C ZINC000128307896 346039539 /nfs/dbraw/zinc/03/95/39/346039539.db2.gz BGRPIZJLLVRYJP-UHFFFAOYSA-N -1 3 291.326 3.044 20 0 CGADHM CC(C)(C)C(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000144452132 346118358 /nfs/dbraw/zinc/11/83/58/346118358.db2.gz BBLZTJBVSIMEDQ-UHFFFAOYSA-N -1 3 277.242 3.275 20 0 CGADHM CCOc1cc(Cl)ccc1C(=O)Nc1ncccc1[O-] ZINC000180992190 346254943 /nfs/dbraw/zinc/25/49/43/346254943.db2.gz YJXCDTLHGFAZCY-UHFFFAOYSA-N -1 3 292.722 3.092 20 0 CGADHM Cc1ccc([C@H](NCc2ccc(F)cc2)C(=O)[O-])cc1 ZINC000212211288 346286157 /nfs/dbraw/zinc/28/61/57/346286157.db2.gz LLDCIEYCYGVRDG-HNNXBMFYSA-N -1 3 273.307 3.050 20 0 CGADHM C[C@@H]1CC[C@@H](C)N(Cc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000235325213 346335288 /nfs/dbraw/zinc/33/52/88/346335288.db2.gz KXPMBVMCGTTZNK-GHMZBOCLSA-N -1 3 265.328 3.144 20 0 CGADHM Cc1cc(CN2CCC[C@@H]3CCC[C@H]32)oc1C(=O)[O-] ZINC000228023538 346312384 /nfs/dbraw/zinc/31/23/84/346312384.db2.gz WDWIFNSITMXNPG-WCQYABFASA-N -1 3 263.337 3.051 20 0 CGADHM COc1ccc(CN[C@@H](C)CCC[C@@H](C)C(=O)[O-])c(F)c1 ZINC000228614331 346315029 /nfs/dbraw/zinc/31/50/29/346315029.db2.gz DIVKWZUSDSYCHT-NEPJUHHUSA-N -1 3 297.370 3.203 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H](C)[C@H]2C)c(F)c1 ZINC000303167455 346443088 /nfs/dbraw/zinc/44/30/88/346443088.db2.gz AUVZQDXAGWHKNR-OUCADQQQSA-N -1 3 299.411 3.237 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](C)[C@@H]2C)c(F)c1 ZINC000303167452 346443107 /nfs/dbraw/zinc/44/31/07/346443107.db2.gz AUVZQDXAGWHKNR-MBNYWOFBSA-N -1 3 299.411 3.237 20 0 CGADHM Cc1ccc(CNC(=O)c2cc([O-])ccc2Cl)cc1F ZINC000351732244 219189978 /nfs/dbraw/zinc/18/99/78/219189978.db2.gz XBILKIVTHBILDT-UHFFFAOYSA-N -1 3 293.725 3.423 20 0 CGADHM C[C@@H](NC(=O)c1ccc(O)cc1[O-])[C@H]1CC2CCC1CC2 ZINC000381487270 346558466 /nfs/dbraw/zinc/55/84/66/346558466.db2.gz GOBOQPFWIRNGLV-TVRADYJESA-N -1 3 289.375 3.042 20 0 CGADHM F[C@@H]1CCC[C@H](c2nc(-c3ccc4n[n-]nc4c3)no2)C1 ZINC000351448703 346538235 /nfs/dbraw/zinc/53/82/35/346538235.db2.gz CTPPLGHQRCDDBG-VHSXEESVSA-N -1 3 287.298 3.004 20 0 CGADHM Cc1ccc(CN2CCC3(C[C@H]3C(=O)[O-])CC2)c(Cl)c1 ZINC000405369283 346603417 /nfs/dbraw/zinc/60/34/17/346603417.db2.gz NTINEUGDTIVUQW-ZDUSSCGKSA-N -1 3 293.794 3.335 20 0 CGADHM C[C@H](CC(=O)N1CC[C@H](C)c2cccc([O-])c21)n1ccnc1 ZINC000583208386 346679318 /nfs/dbraw/zinc/67/93/18/346679318.db2.gz ZNJYXTPYDMUDDY-QWHCGFSZSA-N -1 3 299.374 3.080 20 0 CGADHM O=C(NCC1CCCCCC1)c1c[n-]nc1-c1ccccn1 ZINC000584571889 346684073 /nfs/dbraw/zinc/68/40/73/346684073.db2.gz STGHBHMJWWXBFO-UHFFFAOYSA-N -1 3 298.390 3.172 20 0 CGADHM CCS[C@@H]1CC[C@@H](N(C)Cc2cc(C)c(C(=O)[O-])o2)C1 ZINC000593739709 347110069 /nfs/dbraw/zinc/11/00/69/347110069.db2.gz IFORMVCUEREDSR-DGCLKSJQSA-N -1 3 297.420 3.392 20 0 CGADHM CCSCC[C@H](C)N(C)Cc1csc(C(=O)[O-])c1 ZINC000593740351 347110396 /nfs/dbraw/zinc/11/03/96/347110396.db2.gz VHHLPSDIWWWLMR-JTQLQIEISA-N -1 3 287.450 3.410 20 0 CGADHM CC(C)OC(=O)[C@@H](NCc1cc([O-])ccc1Cl)C(C)C ZINC000599433508 347744592 /nfs/dbraw/zinc/74/45/92/347744592.db2.gz UBORAWNXSJXRSD-AWEZNQCLSA-N -1 3 299.798 3.111 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)SCC(=O)c2ccccc2)n1 ZINC000601084970 347866600 /nfs/dbraw/zinc/86/66/00/347866600.db2.gz JPZQYRHLLPSKMX-LLVKDONJSA-N -1 3 288.372 3.168 20 0 CGADHM CC(C)[C@H](C)C(=O)N=c1cc(-c2cccc(Cl)c2)[n-][nH]1 ZINC000603546890 348089361 /nfs/dbraw/zinc/08/93/61/348089361.db2.gz CRKOOMNPNFODSO-JTQLQIEISA-N -1 3 291.782 3.383 20 0 CGADHM CCCn1c(=O)[n-]nc1S[C@H]1CCC[C@H](C)C1 ZINC000605076079 348146430 /nfs/dbraw/zinc/14/64/30/348146430.db2.gz IHKAIVSZOLKLRZ-UWVGGRQHSA-N -1 3 255.387 3.065 20 0 CGADHM Cc1cccc(C(=O)N[C@@H]2C[C@@]2(C)c2ccccc2)c1[O-] ZINC000607591094 348250440 /nfs/dbraw/zinc/25/04/40/348250440.db2.gz CNTHJHWTEWOUIQ-QAPCUYQASA-N -1 3 281.355 3.161 20 0 CGADHM CC[C@@H]1C[C@@H](C)CN1C(=O)c1cc(SC)ccc1[O-] ZINC000611747881 348473650 /nfs/dbraw/zinc/47/36/50/348473650.db2.gz ONOXYBWTYRKWBC-GHMZBOCLSA-N -1 3 279.405 3.375 20 0 CGADHM CC[C@H]1C[C@@H](C)CN1C(=O)c1cc(SC)ccc1[O-] ZINC000611747882 348473836 /nfs/dbraw/zinc/47/38/36/348473836.db2.gz ONOXYBWTYRKWBC-MNOVXSKESA-N -1 3 279.405 3.375 20 0 CGADHM CO[C@@H](C(=O)Nc1ccc([O-])cc1F)C1CCCCC1 ZINC000613329896 348591268 /nfs/dbraw/zinc/59/12/68/348591268.db2.gz BYEZGLRMCGHKEC-CQSZACIVSA-N -1 3 281.327 3.065 20 0 CGADHM C[C@H](CC(=O)Nc1ccc(Cl)cc1[O-])[C@@H]1CCCO1 ZINC000613029349 348559974 /nfs/dbraw/zinc/55/99/74/348559974.db2.gz ZQKKFYWAUKFLBT-RNCFNFMXSA-N -1 3 283.755 3.189 20 0 CGADHM O=C(Nc1cc(C(F)(F)F)ccc1[O-])[C@H]1C[C@H]2C[C@H]2C1 ZINC000613030398 348560931 /nfs/dbraw/zinc/56/09/31/348560931.db2.gz HURBRKOCANYLEA-BRPSZJMVSA-N -1 3 285.265 3.396 20 0 CGADHM CSc1ccc([O-])c(C(=O)N2CCS[C@H](C)CC2)c1 ZINC000613986090 348644549 /nfs/dbraw/zinc/64/45/49/348644549.db2.gz LLILLJONKHWKOC-SNVBAGLBSA-N -1 3 297.445 3.082 20 0 CGADHM O=C(Nc1c([O-])cccc1Cl)[C@H]1C[C@H]2C[C@H]2C1 ZINC000615323205 348731917 /nfs/dbraw/zinc/73/19/17/348731917.db2.gz YYFJWZZLMUNDCN-BRPSZJMVSA-N -1 3 251.713 3.030 20 0 CGADHM CC1(C)CC[C@@H]1C(=O)Nc1c([O-])cccc1Cl ZINC000615321546 348732111 /nfs/dbraw/zinc/73/21/11/348732111.db2.gz GSHARPDEYSQCPM-MRVPVSSYSA-N -1 3 253.729 3.420 20 0 CGADHM Cc1cccc(C(=O)NCc2ccc([C@H]3C[C@H]3C)o2)c1[O-] ZINC000614752033 348692624 /nfs/dbraw/zinc/69/26/24/348692624.db2.gz GOGOQLUISVYLGE-RISCZKNCSA-N -1 3 285.343 3.347 20 0 CGADHM CSc1ccc([O-])c(C(=O)NCCC2(F)CCC2)c1 ZINC000614866822 348696827 /nfs/dbraw/zinc/69/68/27/348696827.db2.gz FIPOOUGZEPFVND-UHFFFAOYSA-N -1 3 283.368 3.126 20 0 CGADHM CC(C)c1cc(C(=O)Nc2ccc([O-])cc2Cl)n(C)n1 ZINC000616940755 348884901 /nfs/dbraw/zinc/88/49/01/348884901.db2.gz DRZKMHHOVGCMJT-UHFFFAOYSA-N -1 3 293.754 3.155 20 0 CGADHM CC(C)(C)C[C@H](O)CC(=O)Nc1ccc([O-])cc1Cl ZINC000616939701 348885167 /nfs/dbraw/zinc/88/51/67/348885167.db2.gz KHTGHWKKMKBMMQ-SNVBAGLBSA-N -1 3 285.771 3.171 20 0 CGADHM O=C(Nc1ccc([O-])cc1Cl)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000616943204 348885929 /nfs/dbraw/zinc/88/59/29/348885929.db2.gz RYYFGLDCGIDSRT-IEBDPFPHSA-N -1 3 265.740 3.420 20 0 CGADHM CCC(C)(C)[C@H](C)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000617572160 348974708 /nfs/dbraw/zinc/97/47/08/348974708.db2.gz BIIFAVDVDOUAJR-NSHDSACASA-N -1 3 286.375 3.083 20 0 CGADHM CCC1(CC)CCCN(C(=O)c2ccc([O-])c(OC)c2)C1 ZINC000618669687 349139086 /nfs/dbraw/zinc/13/90/86/349139086.db2.gz OCBHZHQPTLFFLP-UHFFFAOYSA-N -1 3 291.391 3.443 20 0 CGADHM COc1ccc(C=Cc2cc(=O)[n-]c(C3CC3)n2)cc1F ZINC000352027873 219292088 /nfs/dbraw/zinc/29/20/88/219292088.db2.gz QXVVCEAQZVFLOL-KXFIGUGUSA-N -1 3 286.306 3.378 20 0 CGADHM CSc1ccc([O-])c(C(=O)N2CCC[C@@H](CCF)C2)c1 ZINC000618683850 349141507 /nfs/dbraw/zinc/14/15/07/349141507.db2.gz NKYLCGPWEVORJF-NSHDSACASA-N -1 3 297.395 3.326 20 0 CGADHM CCS[C@@H](C)c1noc(-c2cccc(OC)c2[O-])n1 ZINC000273996826 192395933 /nfs/dbraw/zinc/39/59/33/192395933.db2.gz QSKTVGOSTVWYTO-QMMMGPOBSA-N -1 3 280.349 3.265 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2sccc2Cl)n1 ZINC000352035892 219298336 /nfs/dbraw/zinc/29/83/36/219298336.db2.gz URUGUFCSVSQDRT-NSCUHMNNSA-N -1 3 252.726 3.376 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2cc(Cl)ccc2F)n1 ZINC000352036226 219298530 /nfs/dbraw/zinc/29/85/30/219298530.db2.gz YFFGSHIWUMVQDA-DJWKRKHSSA-N -1 3 264.687 3.454 20 0 CGADHM COc1ccc(C(=O)N[C@@H](C)C2CCC(F)CC2)c([O-])c1 ZINC000619962295 349298849 /nfs/dbraw/zinc/29/88/49/349298849.db2.gz MYOYWAJCINYYPN-UNXYVOJBSA-N -1 3 295.354 3.047 20 0 CGADHM CC(C)c1ccc(C(=O)NC[C@H](C)C2CC2)c([O-])c1 ZINC000619653160 349267105 /nfs/dbraw/zinc/26/71/05/349267105.db2.gz JVOYALFWGAYKIE-NSHDSACASA-N -1 3 261.365 3.292 20 0 CGADHM CCC(CC)CCCN(C)C(=O)c1ccc(O)cc1[O-] ZINC000620198911 349335086 /nfs/dbraw/zinc/33/50/86/349335086.db2.gz OUPSGJHWVDOXNC-UHFFFAOYSA-N -1 3 279.380 3.386 20 0 CGADHM O=C(c1csc(=O)[n-]1)N1CCCC[C@@H]1CC1CCC1 ZINC000620568348 349385114 /nfs/dbraw/zinc/38/51/14/349385114.db2.gz LVMSPQUTTPBGNF-LLVKDONJSA-N -1 3 280.393 3.034 20 0 CGADHM CCCc1nnc([N-]C(=O)c2coc(C(F)F)c2)s1 ZINC000624515990 350056439 /nfs/dbraw/zinc/05/64/39/350056439.db2.gz TWUFOBCCXXJKHM-UHFFFAOYSA-N -1 3 287.291 3.274 20 0 CGADHM Cc1cccc([O-])c1C(=O)N([C@@H](C)C(C)C)C1CC1 ZINC000624587041 350067337 /nfs/dbraw/zinc/06/73/37/350067337.db2.gz SEGSANMKVXTPBQ-LBPRGKRZSA-N -1 3 261.365 3.350 20 0 CGADHM CC1(C)CN(Cc2cc([O-])ccc2Cl)[C@H]1[C@H]1CCCO1 ZINC000625432809 350170339 /nfs/dbraw/zinc/17/03/39/350170339.db2.gz OSXJSJUADKCJQM-CABCVRRESA-N -1 3 295.810 3.435 20 0 CGADHM [O-]c1ccc(Cl)c(CN2CCOC[C@@H](C3CCC3)C2)c1 ZINC000625445943 350173027 /nfs/dbraw/zinc/17/30/27/350173027.db2.gz JMVUYJZKHFTLLL-AWEZNQCLSA-N -1 3 295.810 3.294 20 0 CGADHM CCN(Cc1cc([O-])ccc1Cl)[C@@H]1CCCOC1 ZINC000625513201 350179677 /nfs/dbraw/zinc/17/96/77/350179677.db2.gz XMOGHMXSJNUHCQ-GFCCVEGCSA-N -1 3 269.772 3.047 20 0 CGADHM C[C@]1(C2CC2)CN(Cc2cc([O-])ccc2Cl)CCO1 ZINC000625531542 350181460 /nfs/dbraw/zinc/18/14/60/350181460.db2.gz YZXSUCNOQMLPQC-OAHLLOKOSA-N -1 3 281.783 3.047 20 0 CGADHM [O-]c1ccc(F)c(CNCc2cc(F)cc(F)c2)c1F ZINC000352087864 219316280 /nfs/dbraw/zinc/31/62/80/219316280.db2.gz SFXWZWYWIQCODC-UHFFFAOYSA-N -1 3 285.240 3.238 20 0 CGADHM Cc1cccc([O-])c1C(=O)NC(C)(C)c1cccs1 ZINC000625711351 350201839 /nfs/dbraw/zinc/20/18/39/350201839.db2.gz WHWJEBQZHRWPFJ-UHFFFAOYSA-N -1 3 275.373 3.427 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1Cc2ccccc2C2(CC2)C1 ZINC000626508388 350315491 /nfs/dbraw/zinc/31/54/91/350315491.db2.gz NJHWTMYBOSRCJG-UHFFFAOYSA-N -1 3 293.366 3.388 20 0 CGADHM C[C@H](CC(=O)Nc1cccc([O-])c1F)C(F)(F)F ZINC000626297454 350293201 /nfs/dbraw/zinc/29/32/01/350293201.db2.gz ASSDIZPMODQFED-ZCFIWIBFSA-N -1 3 265.206 3.058 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CC2(CCC2)[C@H]1C1CC1 ZINC000627392123 350358667 /nfs/dbraw/zinc/35/86/67/350358667.db2.gz LSLIMTYFNDGNQG-OAHLLOKOSA-N -1 3 271.360 3.105 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CC(C)(C)[C@@H]1c1cccnc1 ZINC000627472639 350361756 /nfs/dbraw/zinc/36/17/56/350361756.db2.gz VKOGKBSIMIHMMJ-INIZCTEOSA-N -1 3 296.370 3.319 20 0 CGADHM Cc1cccc([O-])c1C(=O)NC1CCC(C(F)F)CC1 ZINC000627720550 350377880 /nfs/dbraw/zinc/37/78/80/350377880.db2.gz NYWFETBNMPVADV-UHFFFAOYSA-N -1 3 283.318 3.254 20 0 CGADHM Cc1cccc([O-])c1C(=O)N[C@@H](C)C1CCC(F)CC1 ZINC000628133501 350406000 /nfs/dbraw/zinc/40/60/00/350406000.db2.gz HDAMJRCKJAXSJG-HIFPTAJRSA-N -1 3 279.355 3.347 20 0 CGADHM CCCC[C@@H](CC)CCCN(C)C(=O)c1cc(=O)[n-]cn1 ZINC000628169236 350420596 /nfs/dbraw/zinc/42/05/96/350420596.db2.gz VTUTWLQAMISXON-CYBMUJFWSA-N -1 3 293.411 3.251 20 0 CGADHM C/C(=C/c1ccccc1)CNC(C)(C)c1nc(C)cc(=O)[n-]1 ZINC000628374408 350519005 /nfs/dbraw/zinc/51/90/05/350519005.db2.gz IEDMWBYOIRIORP-RAXLEYEMSA-N -1 3 297.402 3.419 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2C[C@@H](C)C(F)(F)[C@H](C)C2)c1 ZINC000628397253 350525640 /nfs/dbraw/zinc/52/56/40/350525640.db2.gz XCQVDVPFNLTTRS-GHMZBOCLSA-N -1 3 297.345 3.318 20 0 CGADHM CCc1cccc(C(=O)N2C[C@@H](C)C(F)(F)[C@@H](C)C2)c1[O-] ZINC000628397176 350525902 /nfs/dbraw/zinc/52/59/02/350525902.db2.gz VYRGPGXTKLBZKW-PHIMTYICSA-N -1 3 297.345 3.318 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)Sc2nc(C(C)C)c[nH]2)n1 ZINC000629220830 350670357 /nfs/dbraw/zinc/67/03/57/350670357.db2.gz JXABGJNHCUZXQP-SECBINFHSA-N -1 3 278.381 3.190 20 0 CGADHM C[C@H](c1ccc(C(=O)[O-])o1)N1C[C@H](C)C(F)(F)[C@@H](C)C1 ZINC000629364576 350678004 /nfs/dbraw/zinc/67/80/04/350678004.db2.gz NZWDBPVJEIJIFQ-LPEHRKFASA-N -1 3 287.306 3.262 20 0 CGADHM CC/C=C\CCN1CCC(c2ncc(C(=O)[O-])s2)CC1 ZINC000629369213 350680328 /nfs/dbraw/zinc/68/03/28/350680328.db2.gz QTHKUANHZJKTCH-ARJAWSKDSA-N -1 3 294.420 3.377 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CCCC2(CC2)CC1 ZINC000629641311 350727110 /nfs/dbraw/zinc/72/71/10/350727110.db2.gz OBISXTXJAXRPFD-UHFFFAOYSA-N -1 3 259.349 3.107 20 0 CGADHM C/C=C\C[C@@H]1CCCN(C(=O)c2ccc3[nH][n-]c(=O)c3c2)C1 ZINC000629868915 350777778 /nfs/dbraw/zinc/77/77/78/350777778.db2.gz DDQFAUZREAEING-ZZKXABKFSA-N -1 3 299.374 3.087 20 0 CGADHM O=C([N-]c1ccc(F)c(F)c1F)c1onc2c1CCCC2 ZINC000630793365 350888297 /nfs/dbraw/zinc/88/82/97/350888297.db2.gz OJUSYIGMJVZWLP-UHFFFAOYSA-N -1 3 296.248 3.223 20 0 CGADHM [O-]c1ccc(F)c(CNCc2ccc(F)c(F)c2)c1F ZINC000352233353 219375937 /nfs/dbraw/zinc/37/59/37/219375937.db2.gz XZLBOUWNBZJRPG-UHFFFAOYSA-N -1 3 285.240 3.238 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CC(c3ccccc3)C2)c1 ZINC000633810384 351381700 /nfs/dbraw/zinc/38/17/00/351381700.db2.gz XRQSRXMTULUTOT-UHFFFAOYSA-N -1 3 281.355 3.194 20 0 CGADHM C[C@@H]1CCc2[n-]n(Cc3ccc(C(F)(F)F)cc3)c(=O)c21 ZINC000634590511 351527213 /nfs/dbraw/zinc/52/72/13/351527213.db2.gz BKVNFSRRBDJGJP-RNCFNFMXSA-N -1 3 296.292 3.450 20 0 CGADHM Cc1[n-]n(Cc2cccc(C(F)(F)F)c2)c(=O)c1C1CC1 ZINC000634590861 351527989 /nfs/dbraw/zinc/52/79/89/351527989.db2.gz MDUIGZXHQVCIGE-ZDUSSCGKSA-N -1 3 296.292 3.450 20 0 CGADHM CC(C)c1c(-c2ccccc2)[n-]n(Cc2cccnc2)c1=O ZINC000634591890 351529048 /nfs/dbraw/zinc/52/90/48/351529048.db2.gz RIIMXTNEDUTKCA-INIZCTEOSA-N -1 3 293.370 3.100 20 0 CGADHM Cc1cnccc1-n1[n-]c(-c2ccccc2)c(C(C)C)c1=O ZINC000634606447 351540159 /nfs/dbraw/zinc/54/01/59/351540159.db2.gz SJQRWKADWRSGPX-INIZCTEOSA-N -1 3 293.370 3.413 20 0 CGADHM CCc1[n-]n([C@@H](C)c2ccncc2)c(=O)c1C(C)C ZINC000634626967 351550712 /nfs/dbraw/zinc/55/07/12/351550712.db2.gz QSPOEBZYQXRUOJ-FZMZJTMJSA-N -1 3 259.353 3.023 20 0 CGADHM Cc1c2occ([O-])c2ccc1OC[C@H]1CCC(F)(F)C1 ZINC000634559654 351514830 /nfs/dbraw/zinc/51/48/30/351514830.db2.gz APWFIJGMGZBHNM-JTQLQIEISA-N -1 3 282.286 3.384 20 0 CGADHM CO[C@@H](COc1ccc2c([O-])coc2c1C)c1ccccc1 ZINC000634560320 351514903 /nfs/dbraw/zinc/51/49/03/351514903.db2.gz DPYBZGQKUTXICX-KRWDZBQOSA-N -1 3 298.338 3.337 20 0 CGADHM CC(C)=C(C)CC(=O)N1CCCc2cccc([O-])c21 ZINC000635752665 351687989 /nfs/dbraw/zinc/68/79/89/351687989.db2.gz HKLRKDHOYBIASG-UHFFFAOYSA-N -1 3 259.349 3.418 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)Nc1cc(F)c(OC)c(F)c1 ZINC000291668804 198056775 /nfs/dbraw/zinc/05/67/75/198056775.db2.gz BBOBOQPQLLKQIW-QMMMGPOBSA-N -1 3 288.294 3.073 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)Nc1cc(F)cc(F)c1 ZINC000291767463 198086198 /nfs/dbraw/zinc/08/61/98/198086198.db2.gz MGLMEFDNKVHTIU-QMMMGPOBSA-N -1 3 258.268 3.064 20 0 CGADHM CC[C@@H](C)CON=C([O-])Nc1nc2c(s1)CCCC2 ZINC000291980764 198123433 /nfs/dbraw/zinc/12/34/33/198123433.db2.gz YWCVORQCUZCJBZ-SECBINFHSA-N -1 3 283.397 3.121 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)Nc1nc2c(s1)CCCC2 ZINC000291980764 198123435 /nfs/dbraw/zinc/12/34/35/198123435.db2.gz YWCVORQCUZCJBZ-SECBINFHSA-N -1 3 283.397 3.121 20 0 CGADHM CCc1cc(C(=O)N(C)[C@@H](C)c2cccc(O)c2)ccc1[O-] ZINC000292125855 198173201 /nfs/dbraw/zinc/17/32/01/198173201.db2.gz KVFUXCLEGCXWMD-LBPRGKRZSA-N -1 3 299.370 3.493 20 0 CGADHM Cc1cc(C)c(NC(=O)NCc2ncccc2[O-])c(C)c1 ZINC000336459492 213326869 /nfs/dbraw/zinc/32/68/69/213326869.db2.gz MOJWSDBDBJRSMX-UHFFFAOYSA-N -1 3 285.347 3.034 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)Nc1ccc2cnn(CC)c2c1 ZINC000292475616 198301654 /nfs/dbraw/zinc/30/16/54/198301654.db2.gz AAIAAMCVTZYFML-LLVKDONJSA-N -1 3 290.367 3.155 20 0 CGADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1cc(Cl)ccc1F ZINC000155584413 188215118 /nfs/dbraw/zinc/21/51/18/188215118.db2.gz SCGSUIRWILLGNS-LLVKDONJSA-N -1 3 288.706 3.059 20 0 CGADHM O=C([N-]O[C@@H]1CCCCO1)Nc1cc(Cl)ccc1F ZINC000155584413 188215119 /nfs/dbraw/zinc/21/51/19/188215119.db2.gz SCGSUIRWILLGNS-LLVKDONJSA-N -1 3 288.706 3.059 20 0 CGADHM Cc1cc(Cl)ccc1NC([O-])=NO[C@H]1CCCCO1 ZINC000155428192 188205655 /nfs/dbraw/zinc/20/56/55/188205655.db2.gz WHCFBCCHULKIAY-LBPRGKRZSA-N -1 3 284.743 3.228 20 0 CGADHM Cc1cc(Cl)ccc1NC(=O)[N-]O[C@H]1CCCCO1 ZINC000155428192 188205656 /nfs/dbraw/zinc/20/56/56/188205656.db2.gz WHCFBCCHULKIAY-LBPRGKRZSA-N -1 3 284.743 3.228 20 0 CGADHM CC(C)Oc1ccccc1NC([O-])=NO[C@@H]1CCCCO1 ZINC000155727876 188224266 /nfs/dbraw/zinc/22/42/66/188224266.db2.gz VTGQFYQTODORJZ-CQSZACIVSA-N -1 3 294.351 3.054 20 0 CGADHM CC(C)Oc1ccccc1NC(=O)[N-]O[C@@H]1CCCCO1 ZINC000155727876 188224267 /nfs/dbraw/zinc/22/42/67/188224267.db2.gz VTGQFYQTODORJZ-CQSZACIVSA-N -1 3 294.351 3.054 20 0 CGADHM Cc1cc(NC(=O)[N-]OCCC(F)(F)F)ccc1F ZINC000157325529 188309471 /nfs/dbraw/zinc/30/94/71/188309471.db2.gz OVQWSCYKZJEBQJ-UHFFFAOYSA-N -1 3 280.221 3.140 20 0 CGADHM CCCc1cnc(NC([O-])=NOCCC(F)(F)F)s1 ZINC000157741816 188336297 /nfs/dbraw/zinc/33/62/97/188336297.db2.gz QMOJGQZJTVSTOI-UHFFFAOYSA-N -1 3 297.302 3.101 20 0 CGADHM CCCc1cnc(NC(=O)[N-]OCCC(F)(F)F)s1 ZINC000157741816 188336298 /nfs/dbraw/zinc/33/62/98/188336298.db2.gz QMOJGQZJTVSTOI-UHFFFAOYSA-N -1 3 297.302 3.101 20 0 CGADHM COC(=O)CCN(Cc1cccc([O-])c1Cl)CC(C)C ZINC000507553111 291022909 /nfs/dbraw/zinc/02/29/09/291022909.db2.gz TUTJDXNVRHFJSF-UHFFFAOYSA-N -1 3 299.798 3.067 20 0 CGADHM CC/C=C\C[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000451771722 535259657 /nfs/dbraw/zinc/25/96/57/535259657.db2.gz TVPWULHSNLKKIY-ARJAWSKDSA-N -1 3 299.339 3.011 20 0 CGADHM Cc1ccc(NC(=O)c2cc(CC(C)C)c[nH]2)c([O-])c1 ZINC000411196909 235036625 /nfs/dbraw/zinc/03/66/25/235036625.db2.gz CDVMFSHTPUXPHX-UHFFFAOYSA-N -1 3 272.348 3.480 20 0 CGADHM COc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1c(C)cccc1[O-] ZINC000413670843 235301193 /nfs/dbraw/zinc/30/11/93/235301193.db2.gz ZFMKSHVHSCUHMM-UONOGXRCSA-N -1 3 297.354 3.451 20 0 CGADHM Cc1nn(C(C)C)cc1C=Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000414076719 235329884 /nfs/dbraw/zinc/32/98/84/235329884.db2.gz PAZQOLOFPZWZDD-SREVYHEPSA-N -1 3 284.363 3.316 20 0 CGADHM CC[C@@H]1C[C@@H](CC(=O)Nc2cc(F)ccc2[O-])CCO1 ZINC000272868946 191952065 /nfs/dbraw/zinc/95/20/65/191952065.db2.gz SZIXMSBSBHMEQP-CMPLNLGQSA-N -1 3 281.327 3.065 20 0 CGADHM Cc1cccc([C@H]2CCN(C(=O)c3c([O-])cccc3O)C2)c1 ZINC000273538138 192193257 /nfs/dbraw/zinc/19/32/57/192193257.db2.gz SQNGLBXLJQKQCZ-AWEZNQCLSA-N -1 3 297.354 3.036 20 0 CGADHM O=C(Nc1ccc(Cl)cc1[O-])C1CC(F)(F)C1 ZINC000336341722 213190339 /nfs/dbraw/zinc/19/03/39/213190339.db2.gz XJTXYYDFDUHTFZ-UHFFFAOYSA-N -1 3 261.655 3.029 20 0 CGADHM O=[S@@](C[C@H]1CCCC(F)(F)C1)c1cccc([O-])c1 ZINC000336327397 213172444 /nfs/dbraw/zinc/17/24/44/213172444.db2.gz ZVQCMMARHKPVDF-YPMLDQLKSA-N -1 3 274.332 3.325 20 0 CGADHM COc1cccc([C@H]2CCCN2C(=O)c2ccccc2[O-])c1 ZINC000123715868 138369620 /nfs/dbraw/zinc/36/96/20/138369620.db2.gz YBMUJIQDCSDFNC-MRXNPFEDSA-N -1 3 297.354 3.378 20 0 CGADHM Cc1c([C@@H](C)[N-]c2nc(-c3ccc(C)cc3)no2)cnn1C ZINC000180224161 138429851 /nfs/dbraw/zinc/42/98/51/138429851.db2.gz DCMRCRANDGOLFO-LLVKDONJSA-N -1 3 297.362 3.260 20 0 CGADHM CC(C)[C@@]1(C)C[C@@H]1C(=O)Nc1cc(F)ccc1[O-] ZINC000186563513 138442721 /nfs/dbraw/zinc/44/27/21/138442721.db2.gz IIPXBVWRTXMSRF-QMTHXVAHSA-N -1 3 251.301 3.152 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2Cc3ccccc3C3(CC3)C2)c1 ZINC000187292327 138447870 /nfs/dbraw/zinc/44/78/70/138447870.db2.gz MDFOCOFJZIXLKM-UHFFFAOYSA-N -1 3 293.366 3.388 20 0 CGADHM O=C([N-]c1cccc(F)c1F)c1noc2c1CCCCC2 ZINC000130137929 295949410 /nfs/dbraw/zinc/94/94/10/295949410.db2.gz OYIJLLMMEYLPJN-UHFFFAOYSA-N -1 3 292.285 3.474 20 0 CGADHM O=C([O-])CN1CCCC[C@@H]1c1ccccc1C(F)(F)F ZINC000430649831 304067382 /nfs/dbraw/zinc/06/73/82/304067382.db2.gz JGCQICSUOTVTFZ-GFCCVEGCSA-N -1 3 287.281 3.317 20 0 CGADHM Cc1ccc(CN[C@@]2(C(=O)[O-])CCc3c2cccc3F)cc1 ZINC000340684697 215683844 /nfs/dbraw/zinc/68/38/44/215683844.db2.gz TXISINGBPLXTSE-SFHVURJKSA-N -1 3 299.345 3.150 20 0 CGADHM COc1cc(Cl)ccc1CN1CCC[C@@H](C)[C@H]1C(=O)[O-] ZINC000424271663 236139766 /nfs/dbraw/zinc/13/97/66/236139766.db2.gz PGHYUAJEVDUYMN-YGRLFVJLSA-N -1 3 297.782 3.034 20 0 CGADHM Cc1cc(F)c(CNC[C@H](CC(=O)[O-])C(C)(C)C)c(F)c1 ZINC000424617396 236173111 /nfs/dbraw/zinc/17/31/11/236173111.db2.gz KXQCTXQLJSSCRM-NSHDSACASA-N -1 3 299.361 3.500 20 0 CGADHM [O-]c1ccc(F)c(CN[C@H]2C[C@]2(F)c2ccccc2)c1F ZINC000425356259 236235351 /nfs/dbraw/zinc/23/53/51/236235351.db2.gz QAYWTXSHLHMHBF-HOCLYGCPSA-N -1 3 293.288 3.397 20 0 CGADHM O=C([O-])CCCNCc1cc(Cl)sc1Cl ZINC000263194932 138568425 /nfs/dbraw/zinc/56/84/25/138568425.db2.gz UBVINADUMVRFQM-UHFFFAOYSA-N -1 3 268.165 3.009 20 0 CGADHM O=C([O-])c1ccc(CNCc2cccc3cc[nH]c32)cc1 ZINC000426709938 236307159 /nfs/dbraw/zinc/30/71/59/236307159.db2.gz SWFRXUOLODBVCQ-UHFFFAOYSA-N -1 3 280.327 3.156 20 0 CGADHM Cc1ccc([C@H](NCc2cc(F)cc(F)c2)C(=O)[O-])cc1 ZINC000426716950 236307792 /nfs/dbraw/zinc/30/77/92/236307792.db2.gz YXIQWDMZKCWIDT-HNNXBMFYSA-N -1 3 291.297 3.189 20 0 CGADHM O=C([O-])[C@H](NCc1cccc(Cl)c1)c1cccc(F)c1 ZINC000426793915 236315004 /nfs/dbraw/zinc/31/50/04/236315004.db2.gz RUZISAYCTSLEDF-CQSZACIVSA-N -1 3 293.725 3.395 20 0 CGADHM COc1cccc(CN(C)Cc2c(F)ccc([O-])c2F)c1 ZINC000294943344 199262610 /nfs/dbraw/zinc/26/26/10/199262610.db2.gz PPRIDOYRNPXELW-UHFFFAOYSA-N -1 3 293.313 3.311 20 0 CGADHM O=C([O-])c1cccc(CN[C@@H]2CCO[C@H]2c2ccccc2)c1 ZINC000263435780 295990989 /nfs/dbraw/zinc/99/09/89/295990989.db2.gz UNYORQDVUOPTAJ-SJORKVTESA-N -1 3 297.354 3.005 20 0 CGADHM Cc1ccc(C(=O)Nc2nc3ccccc3[nH]2)c([O-])c1C ZINC000436624695 237145891 /nfs/dbraw/zinc/14/58/91/237145891.db2.gz MSRTWWAUJMZPDS-UHFFFAOYSA-N -1 3 281.315 3.138 20 0 CGADHM Cc1ccc([O-])c(C(=O)N[C@H](C)Cc2ccccc2F)c1 ZINC000436670284 237157427 /nfs/dbraw/zinc/15/74/27/237157427.db2.gz DNWCGKIDIVNDFV-GFCCVEGCSA-N -1 3 287.334 3.201 20 0 CGADHM Cc1ccc(C(=O)NCCOC2CCCCC2)c([O-])c1C ZINC000436539238 237125677 /nfs/dbraw/zinc/12/56/77/237125677.db2.gz LILQOHWSTYQRAW-UHFFFAOYSA-N -1 3 291.391 3.088 20 0 CGADHM Cc1cc(C)cc(C[C@@H](C)NC(=O)c2ccccc2[O-])c1 ZINC000436569546 237131235 /nfs/dbraw/zinc/13/12/35/237131235.db2.gz FVWJSRNJUIIWKY-CQSZACIVSA-N -1 3 283.371 3.370 20 0 CGADHM COc1ccc(C(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)c([O-])c1 ZINC000436590117 237138338 /nfs/dbraw/zinc/13/83/38/237138338.db2.gz RGYMYDNCWFSAEE-YNEHKIRRSA-N -1 3 289.375 3.099 20 0 CGADHM Cc1nc2cc(NC(=O)c3cccc(C)c3[O-])ccc2[nH]1 ZINC000436756710 237174441 /nfs/dbraw/zinc/17/44/41/237174441.db2.gz SXOHGSZYKKYGNT-UHFFFAOYSA-N -1 3 281.315 3.138 20 0 CGADHM Cc1nc2ccc(NC(=O)c3cccc(C)c3[O-])cc2[nH]1 ZINC000436756710 237174445 /nfs/dbraw/zinc/17/44/45/237174445.db2.gz SXOHGSZYKKYGNT-UHFFFAOYSA-N -1 3 281.315 3.138 20 0 CGADHM Cc1ccccc1C[C@H](C)NC(=O)c1cccc(C)c1[O-] ZINC000436782162 237177191 /nfs/dbraw/zinc/17/71/91/237177191.db2.gz HTCAEEMASMJPSQ-AWEZNQCLSA-N -1 3 283.371 3.370 20 0 CGADHM COCc1ccc(-c2noc(-c3ccccc3[O-])n2)cc1 ZINC000436912154 237208879 /nfs/dbraw/zinc/20/88/79/237208879.db2.gz WKGDPUZWXXZNJK-UHFFFAOYSA-N -1 3 282.299 3.256 20 0 CGADHM Cc1cc(C(=O)N2CCCC3(CCCC3)C2)ccc1[O-] ZINC000438694492 237518739 /nfs/dbraw/zinc/51/87/39/237518739.db2.gz WSOFUVFXTZNIAG-UHFFFAOYSA-N -1 3 273.376 3.497 20 0 CGADHM Cn1ncc(C(=O)Nc2ccccc2[O-])c1-c1ccccc1 ZINC000342041644 216196738 /nfs/dbraw/zinc/19/67/38/216196738.db2.gz HYWFHEABFXPLKI-UHFFFAOYSA-N -1 3 293.326 3.045 20 0 CGADHM Cc1cscc1NC(=O)c1c[n-]nc1-c1ccncc1 ZINC000439616207 238269848 /nfs/dbraw/zinc/26/98/48/238269848.db2.gz FQZMJLSHUUUFRP-UHFFFAOYSA-N -1 3 284.344 3.094 20 0 CGADHM Cc1cscc1NC(=O)c1cn[n-]c1-c1ccncc1 ZINC000439616207 238269850 /nfs/dbraw/zinc/26/98/50/238269850.db2.gz FQZMJLSHUUUFRP-UHFFFAOYSA-N -1 3 284.344 3.094 20 0 CGADHM CC[C@H]([N-]C(=O)C(C)(Cl)Cl)c1nc(C)cs1 ZINC000180423974 189254917 /nfs/dbraw/zinc/25/49/17/189254917.db2.gz TZWJSKVVSSKEIQ-ZETCQYMHSA-N -1 3 281.208 3.213 20 0 CGADHM CCc1cc(=O)[n-]c(-c2ccc(NC3CCCC3)nc2)n1 ZINC000301183681 200932826 /nfs/dbraw/zinc/93/28/26/200932826.db2.gz QMARVKSPXVZRHM-UHFFFAOYSA-N -1 3 284.363 3.161 20 0 CGADHM C[C@H]1[C@H](c2ccccc2)CCN1C(=O)c1cccc([O-])c1 ZINC000182577130 189328082 /nfs/dbraw/zinc/32/80/82/189328082.db2.gz OSANUIWVFJMMNW-SUMWQHHRSA-N -1 3 281.355 3.410 20 0 CGADHM CCO[N-]C(=O)Nc1ccccc1N1CCCCCC1 ZINC000182909243 189339769 /nfs/dbraw/zinc/33/97/69/189339769.db2.gz YPZFHGQKSRZVTP-UHFFFAOYSA-N -1 3 277.368 3.140 20 0 CGADHM Cc1cccc([O-])c1NC(=O)Cc1ccc2c(c1)CCC2 ZINC000183074903 189345506 /nfs/dbraw/zinc/34/55/06/189345506.db2.gz RBFQQYYITONUGQ-UHFFFAOYSA-N -1 3 281.355 3.371 20 0 CGADHM CCc1cc(=O)[n-]c(-c2ccc(N3[C@@H](C)CC[C@@H]3C)nc2)n1 ZINC000301880647 201245531 /nfs/dbraw/zinc/24/55/31/201245531.db2.gz HZAFVGCOPRWAOX-RYUDHWBXSA-N -1 3 298.390 3.184 20 0 CGADHM CN(C(=O)c1csc(=O)[n-]1)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000335639701 212354544 /nfs/dbraw/zinc/35/45/44/212354544.db2.gz QMDLYUCNKYASBM-GXSJLCMTSA-N -1 3 282.409 3.136 20 0 CGADHM C[C@H]1CCC(C)(C)N1Cc1nc(=O)c2sccc2[n-]1 ZINC000335626672 212339067 /nfs/dbraw/zinc/33/90/67/212339067.db2.gz WBGRIBVSOFUWAB-VIFPVBQESA-N -1 3 277.393 3.160 20 0 CGADHM O=C([N-][C@H](c1cc(F)ccc1F)C(F)F)[C@H]1CC1(F)F ZINC000451290428 240265482 /nfs/dbraw/zinc/26/54/82/240265482.db2.gz XINDLYAFCVIXLB-VXNVDRBHSA-N -1 3 297.198 3.042 20 0 CGADHM Cc1csc(S(=O)(=O)[N-][C@@H]2CC23CCCCC3)c1 ZINC000451363141 240283191 /nfs/dbraw/zinc/28/31/91/240283191.db2.gz AQHHXXVVDRHDPT-LLVKDONJSA-N -1 3 285.434 3.058 20 0 CGADHM O=c1cc(CN(Cc2ccccc2)C2CC2)nc(C2CC2)[n-]1 ZINC000459281319 242050274 /nfs/dbraw/zinc/05/02/74/242050274.db2.gz CBLZBPUBPMHTBQ-UHFFFAOYSA-N -1 3 295.386 3.224 20 0 CGADHM Cc1ccccc1[C@@H](C)NCc1cc(=O)[n-]c(C2CC2)n1 ZINC000459459620 242115652 /nfs/dbraw/zinc/11/56/52/242115652.db2.gz FBSHTZZOIJVAMN-GFCCVEGCSA-N -1 3 283.375 3.219 20 0 CGADHM CCC(CC)(CC)[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000462492062 242348439 /nfs/dbraw/zinc/34/84/39/242348439.db2.gz TYUALYHUFAIQFC-UHFFFAOYSA-N -1 3 291.363 3.212 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)Sc2nnc(C3CC3)s2)n1 ZINC000121705007 370887689 /nfs/dbraw/zinc/88/76/89/370887689.db2.gz HPQAGHUFIFKWEQ-SSDOTTSWSA-N -1 3 294.405 3.073 20 0 CGADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]CCC(C)C ZINC000471700139 242761801 /nfs/dbraw/zinc/76/18/01/242761801.db2.gz HVROSUOXVYBMNL-UHFFFAOYSA-N -1 3 299.367 3.205 20 0 CGADHM Cc1ccc(NC(=O)[C@H]2CCC[C@@H](F)C2)c([O-])c1 ZINC000335517203 212205640 /nfs/dbraw/zinc/20/56/40/212205640.db2.gz YDXSHWSWSXTAIY-WDEREUQCSA-N -1 3 251.301 3.167 20 0 CGADHM CC[C@@H]1CCCC[C@@H]1C(=O)NCc1ccc([O-])c(F)c1 ZINC000476391760 243011589 /nfs/dbraw/zinc/01/15/89/243011589.db2.gz SVEPMWNUWGCIDN-OLZOCXBDSA-N -1 3 279.355 3.364 20 0 CGADHM C[C@@H]1CC[C@@H](C[N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000481247655 243184216 /nfs/dbraw/zinc/18/42/16/243184216.db2.gz UECFHSBBNFGPRI-RKDXNWHRSA-N -1 3 293.841 3.116 20 0 CGADHM Cc1ccc(C(=O)N2CCC[C@@H]2c2ccncc2)c([O-])c1 ZINC000121821671 370898877 /nfs/dbraw/zinc/89/88/77/370898877.db2.gz CCRGGZWXIOXIRS-OAHLLOKOSA-N -1 3 282.343 3.073 20 0 CGADHM CC(C)n1ncc(C(=O)Nc2ccccc2[O-])c1C1CC1 ZINC000125681516 370940183 /nfs/dbraw/zinc/94/01/83/370940183.db2.gz PBXLXHLZWUBCON-UHFFFAOYSA-N -1 3 285.347 3.299 20 0 CGADHM Cc1cccc(C(=O)N(C)Cc2ccsc2)c1[O-] ZINC000035123735 368998616 /nfs/dbraw/zinc/99/86/16/368998616.db2.gz GUIHRKOCTUFFGN-UHFFFAOYSA-N -1 3 261.346 3.034 20 0 CGADHM O=C(/C=C/c1ccnc2ccccc12)[N-]OC/C=C\Cl ZINC000493197753 244116320 /nfs/dbraw/zinc/11/63/20/244116320.db2.gz YYNOSCUOFZXGGL-IOKUPWTPSA-N -1 3 288.734 3.048 20 0 CGADHM C[C@H](c1cccs1)N(C)C(=O)c1ccccc1[O-] ZINC000042226840 369204998 /nfs/dbraw/zinc/20/49/98/369204998.db2.gz YFGNPMDSLMYVDY-SNVBAGLBSA-N -1 3 261.346 3.287 20 0 CGADHM O=C(/C=C\c1cc2ccccc2o1)[N-]OC/C=C/Cl ZINC000493847099 244243733 /nfs/dbraw/zinc/24/37/33/244243733.db2.gz CKIGCHHAMJYBMC-OHRKGSQHSA-N -1 3 277.707 3.246 20 0 CGADHM Cc1ccc(C(=O)N(C)Cc2cccs2)c([O-])c1C ZINC000048384618 369345017 /nfs/dbraw/zinc/34/50/17/369345017.db2.gz IFQBTMPKYSIVAN-UHFFFAOYSA-N -1 3 275.373 3.343 20 0 CGADHM O=C(COc1cccc(Cl)c1)Nc1ccccc1[O-] ZINC000048392156 369345971 /nfs/dbraw/zinc/34/59/71/369345971.db2.gz RVGDNRUWAWXFSV-UHFFFAOYSA-N -1 3 277.707 3.063 20 0 CGADHM CSc1ccc(Cl)cc1[N-]C(=O)c1cnccn1 ZINC000049305757 369396080 /nfs/dbraw/zinc/39/60/80/369396080.db2.gz BUJHXZZQHHBNMQ-UHFFFAOYSA-N -1 3 279.752 3.104 20 0 CGADHM Cc1ccc(CN[C@H](C(=O)[O-])c2ccccc2)c(C)c1 ZINC000050507884 369440199 /nfs/dbraw/zinc/44/01/99/369440199.db2.gz YHXBZAKUIZIFJE-INIZCTEOSA-N -1 3 269.344 3.219 20 0 CGADHM COc1ccc([O-])c(C(=O)N(C)[C@@H]2CCC[C@@H](C)C2)c1 ZINC000055464165 369517422 /nfs/dbraw/zinc/51/74/22/369517422.db2.gz NZQYLRFEGXQPSU-VXGBXAGGSA-N -1 3 277.364 3.052 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2cc(F)ccc2OC)c1 ZINC000537712792 376197561 /nfs/dbraw/zinc/19/75/61/376197561.db2.gz HYWKKVXNONOQGR-UHFFFAOYSA-N -1 3 289.306 3.355 20 0 CGADHM CC(C)C[C@@H]1CCN(Cc2nc(=O)c3sccc3[n-]2)C1 ZINC000072492434 369822255 /nfs/dbraw/zinc/82/22/55/369822255.db2.gz FUIMEKSTBYVBPF-NSHDSACASA-N -1 3 291.420 3.265 20 0 CGADHM C[C@@H](C(=O)Nc1cc(Cl)ccc1[O-])N1[C@H](C)CC[C@@H]1C ZINC000101652471 370294461 /nfs/dbraw/zinc/29/44/61/370294461.db2.gz VZLUFHXZJXDXFF-AXFHLTTASA-N -1 3 296.798 3.245 20 0 CGADHM CC(C)(C)[C@H]1CCN(Cc2cccc([O-])c2Cl)C[C@@H]1O ZINC000511971042 245012467 /nfs/dbraw/zinc/01/24/67/245012467.db2.gz FRUQLCQZJWORPN-JSGCOSHPSA-N -1 3 297.826 3.275 20 0 CGADHM CC[C@H](C)[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000512032425 245016820 /nfs/dbraw/zinc/01/68/20/245016820.db2.gz UPPZYMYXLVBCLL-IUCAKERBSA-N -1 3 293.791 3.192 20 0 CGADHM CCCCc1nnc([N-]C(=O)c2ccc(SC)o2)s1 ZINC000112228496 370415388 /nfs/dbraw/zinc/41/53/88/370415388.db2.gz HXBNZEGINWLSPC-UHFFFAOYSA-N -1 3 297.405 3.448 20 0 CGADHM CCOC(=O)c1ccc(NC(=O)[C@H](C)C(C)(C)C)c([O-])c1 ZINC000537823354 376202298 /nfs/dbraw/zinc/20/22/98/376202298.db2.gz NZJMINHWCLLRHL-JTQLQIEISA-N -1 3 293.363 3.190 20 0 CGADHM CCN(Cc1nc(C)ccc1[O-])c1ccccc1C ZINC000131644621 371120395 /nfs/dbraw/zinc/12/03/95/371120395.db2.gz FYOKELUAVJNRBK-UHFFFAOYSA-N -1 3 256.349 3.431 20 0 CGADHM C[C@@H](CCNCc1ccc(F)cc1Cl)CC(=O)[O-] ZINC000277478539 193667115 /nfs/dbraw/zinc/66/71/15/193667115.db2.gz WNFFQDJBAPKKAY-VIFPVBQESA-N -1 3 273.735 3.070 20 0 CGADHM CC(C)(C)c1ccc(NC(=O)C[C@](C)(O)C2CC2)c([O-])c1 ZINC000331815346 204196438 /nfs/dbraw/zinc/19/64/38/204196438.db2.gz NIQVMZJZRRYIDA-KRWDZBQOSA-N -1 3 291.391 3.179 20 0 CGADHM C[C@H]1C[C@H](C)CN(C(=O)Cc2ccc([O-])cc2Cl)C1 ZINC000136063833 371460075 /nfs/dbraw/zinc/46/00/75/371460075.db2.gz NOYVAGLCOPZFIZ-QWRGUYRKSA-N -1 3 281.783 3.093 20 0 CGADHM CN(CC1CCCC1)C(=O)Cc1ccc([O-])cc1Cl ZINC000136229092 371468973 /nfs/dbraw/zinc/46/89/73/371468973.db2.gz GBYXKPNVGWZWBV-UHFFFAOYSA-N -1 3 281.783 3.237 20 0 CGADHM Cc1nnc([N-]c2cnc(N3CCCC[C@H]3C)c(C)c2)o1 ZINC000286466778 371505450 /nfs/dbraw/zinc/50/54/50/371505450.db2.gz KPQXKBFCUKPGFD-LLVKDONJSA-N -1 3 287.367 3.204 20 0 CGADHM C[C@H]1CC[C@H](CC(=O)Nc2cc(F)ccc2[O-])C1 ZINC000150993304 371557412 /nfs/dbraw/zinc/55/74/12/371557412.db2.gz HTTZHIWCDYCPJU-UWVGGRQHSA-N -1 3 251.301 3.296 20 0 CGADHM CC(C)c1ccc(C(=O)N2CCC[C@H]2c2cc[nH]n2)c([O-])c1 ZINC000286924333 371574056 /nfs/dbraw/zinc/57/40/56/371574056.db2.gz CYUNEQWKBFNCJN-HNNXBMFYSA-N -1 3 299.374 3.216 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)[C@@]2(C)CC2(F)F)c1[O-] ZINC000421792404 371634266 /nfs/dbraw/zinc/63/42/66/371634266.db2.gz OMEJPZFQLZRMCY-LLVKDONJSA-N -1 3 275.682 3.338 20 0 CGADHM CN(Cc1ccoc1)C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000332177176 204511249 /nfs/dbraw/zinc/51/12/49/204511249.db2.gz ZVXSOXNDEFHSII-UHFFFAOYSA-N -1 3 285.343 3.136 20 0 CGADHM [O-]C(=NOC/C=C/Cl)Nc1ccccc1N1CCCC1 ZINC000289638510 371779633 /nfs/dbraw/zinc/77/96/33/371779633.db2.gz XLIZROYMYIAUMV-VMPITWQZSA-N -1 3 295.770 3.092 20 0 CGADHM O=C([N-]OC/C=C/Cl)Nc1ccccc1N1CCCC1 ZINC000289638510 371779641 /nfs/dbraw/zinc/77/96/41/371779641.db2.gz XLIZROYMYIAUMV-VMPITWQZSA-N -1 3 295.770 3.092 20 0 CGADHM CC(C)c1scnc1NC([O-])=NOCCC(F)(F)F ZINC000289651391 371780931 /nfs/dbraw/zinc/78/09/31/371780931.db2.gz LQLYXWCFWBLAML-UHFFFAOYSA-N -1 3 297.302 3.272 20 0 CGADHM CC(C)c1scnc1NC(=O)[N-]OCCC(F)(F)F ZINC000289651391 371780934 /nfs/dbraw/zinc/78/09/34/371780934.db2.gz LQLYXWCFWBLAML-UHFFFAOYSA-N -1 3 297.302 3.272 20 0 CGADHM CCC[C@@H]1CCCN(C(=O)c2ccc(C)cc2[O-])C1 ZINC000155056660 371900681 /nfs/dbraw/zinc/90/06/81/371900681.db2.gz RPESDDUNLBHSNM-CYBMUJFWSA-N -1 3 261.365 3.353 20 0 CGADHM Cc1cccc(C)c1NCC(=O)Nc1ccccc1[O-] ZINC000155104482 371904687 /nfs/dbraw/zinc/90/46/87/371904687.db2.gz OHGMDIKAOVNQAO-UHFFFAOYSA-N -1 3 270.332 3.060 20 0 CGADHM O=C(CSCC(F)(F)F)Nc1cc(Cl)ccc1[O-] ZINC000155228013 371916738 /nfs/dbraw/zinc/91/67/38/371916738.db2.gz TTXZLGFFDZSHCS-UHFFFAOYSA-N -1 3 299.701 3.280 20 0 CGADHM COc1cccc(CS[C@@H](C)c2nc(C)cc(=O)[n-]2)c1 ZINC000156361240 371973653 /nfs/dbraw/zinc/97/36/53/371973653.db2.gz BXIIQIDTZGYIPQ-NSHDSACASA-N -1 3 290.388 3.494 20 0 CGADHM CC(C)N(CCC(=O)[O-])Cc1cc(-c2cccs2)on1 ZINC000037596066 541865192 /nfs/dbraw/zinc/86/51/92/541865192.db2.gz IVNOXRQAKLFQKD-UHFFFAOYSA-N -1 3 294.376 3.088 20 0 CGADHM CO[C@H]1CCCN(Cc2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000290510790 372005514 /nfs/dbraw/zinc/00/55/14/372005514.db2.gz TXINCLXWTDPDFM-ZDUSSCGKSA-N -1 3 289.297 3.022 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)Sc2ccccc2O)n1 ZINC000157110111 372005959 /nfs/dbraw/zinc/00/59/59/372005959.db2.gz MYJGQKXYOPWGTL-SECBINFHSA-N -1 3 262.334 3.050 20 0 CGADHM CO[C@@]1(C)CCCN(C(=O)c2cc([O-])ccc2Cl)CC1 ZINC000290960203 372083554 /nfs/dbraw/zinc/08/35/54/372083554.db2.gz WDSQFUMWAJSDJX-HNNXBMFYSA-N -1 3 297.782 3.077 20 0 CGADHM CC(C)N(CC(F)F)C(=O)c1cc([O-])ccc1Cl ZINC000291282198 372153530 /nfs/dbraw/zinc/15/35/30/372153530.db2.gz MDGOUUBOZGRNHU-UHFFFAOYSA-N -1 3 277.698 3.161 20 0 CGADHM CCCC[C@H](C)N(C)C(=O)c1cccc(OC)c1[O-] ZINC000291133927 372124217 /nfs/dbraw/zinc/12/42/17/372124217.db2.gz DMQOAUBDRRIDSW-NSHDSACASA-N -1 3 265.353 3.052 20 0 CGADHM CCc1noc([N-]Cc2csc(-c3cccs3)n2)n1 ZINC000292783251 372209630 /nfs/dbraw/zinc/20/96/30/372209630.db2.gz PXOTVMUAYAMNGZ-UHFFFAOYSA-N -1 3 292.389 3.429 20 0 CGADHM CCc1cc(C(=O)Nc2cnc(C(C)C)nc2)ccc1[O-] ZINC000292858526 372228808 /nfs/dbraw/zinc/22/88/08/372228808.db2.gz KXDVQWYHKXNUIX-UHFFFAOYSA-N -1 3 285.347 3.120 20 0 CGADHM O=C(CCc1ccc(F)cc1F)Nc1ccccc1[O-] ZINC000161710657 372347442 /nfs/dbraw/zinc/34/74/42/372347442.db2.gz KKZYMNWUONLPNU-UHFFFAOYSA-N -1 3 277.270 3.242 20 0 CGADHM CCc1cc(=O)[n-]c(CN([C@H](C)[C@H](C)CC)C2CC2)n1 ZINC000344357219 217166672 /nfs/dbraw/zinc/16/66/72/217166672.db2.gz UTSTWOVWIFFUQI-VXGBXAGGSA-N -1 3 277.412 3.144 20 0 CGADHM CC[C@@H](C)OCC(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000162272309 372383435 /nfs/dbraw/zinc/38/34/35/372383435.db2.gz SWTDGLKXFJBKLJ-SECBINFHSA-N -1 3 271.744 3.108 20 0 CGADHM CCc1cc(=O)[n-]c(CN2CCC[C@@H]2CC(C)(C)C)n1 ZINC000344345496 217160208 /nfs/dbraw/zinc/16/02/08/217160208.db2.gz HCZIFKMKNWGMJN-CYBMUJFWSA-N -1 3 277.412 3.145 20 0 CGADHM CSCc1cnc(CNCc2ccc([O-])c(F)c2)s1 ZINC000293526495 372403344 /nfs/dbraw/zinc/40/33/44/372403344.db2.gz JBHIBZXHRHWFBX-UHFFFAOYSA-N -1 3 298.408 3.141 20 0 CGADHM Cc1ncc(CNCc2cccc([O-])c2Cl)s1 ZINC000293588799 372418713 /nfs/dbraw/zinc/41/87/13/372418713.db2.gz ODQIUBIDCXBIDE-UHFFFAOYSA-N -1 3 268.769 3.100 20 0 CGADHM C[C@@H](c1ccco1)N(C)C(=O)NCc1ccc([O-])c(F)c1 ZINC000163755933 372490233 /nfs/dbraw/zinc/49/02/33/372490233.db2.gz HKJVFECWMUFVGI-JTQLQIEISA-N -1 3 292.310 3.027 20 0 CGADHM CN(C)[C@H](CNCc1cccc([O-])c1Cl)c1ccco1 ZINC000294064296 372570916 /nfs/dbraw/zinc/57/09/16/372570916.db2.gz KDIZSSPLQADETP-GFCCVEGCSA-N -1 3 294.782 3.031 20 0 CGADHM CCc1ccc(C(=O)N(C)Cc2occc2C)c([O-])c1 ZINC000294078547 372573788 /nfs/dbraw/zinc/57/37/88/372573788.db2.gz LISRSBMHPVMDBI-UHFFFAOYSA-N -1 3 273.332 3.128 20 0 CGADHM CC(C)C[C@H](N)C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000166434989 372573745 /nfs/dbraw/zinc/57/37/45/372573745.db2.gz GCIZAKPFLXHLIS-JTQLQIEISA-N -1 3 291.178 3.011 20 0 CGADHM Cc1ccc([O-])c(NC(=O)Cc2ccc(Cl)c(F)c2)n1 ZINC000344505009 217214150 /nfs/dbraw/zinc/21/41/50/217214150.db2.gz WQRHHBBSVSJYTG-UHFFFAOYSA-N -1 3 294.713 3.069 20 0 CGADHM CSCC[C@@H](C)N(C)Cc1c(F)ccc([O-])c1F ZINC000295396156 372762175 /nfs/dbraw/zinc/76/21/75/372762175.db2.gz QHCAEYYQMMVYRZ-SECBINFHSA-N -1 3 275.364 3.244 20 0 CGADHM Cc1ccc(C(=O)N2CCc3ccccc3[C@H]2C)c([O-])c1 ZINC000171505927 372777019 /nfs/dbraw/zinc/77/70/19/372777019.db2.gz WMQRBVKMHDHIMO-CYBMUJFWSA-N -1 3 281.355 3.460 20 0 CGADHM Cc1ccc(C(=O)N2CC[C@@]3(CC[C@@H](C)C3)C2)c([O-])c1 ZINC000436708831 372838565 /nfs/dbraw/zinc/83/85/65/372838565.db2.gz YQJNTNPEHDPTIJ-CXAGYDPISA-N -1 3 273.376 3.353 20 0 CGADHM COc1cc(C(=O)N2CCC[C@@H]2CC(C)C)ccc1[O-] ZINC000442641361 373060916 /nfs/dbraw/zinc/06/09/16/373060916.db2.gz CLRNOZBHHFUSIG-CYBMUJFWSA-N -1 3 277.364 3.052 20 0 CGADHM CC(C)O[N-]C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000296242477 373065563 /nfs/dbraw/zinc/06/55/63/373065563.db2.gz PZUZESOGJZDKIH-UHFFFAOYSA-N -1 3 277.368 3.138 20 0 CGADHM Cc1csc(CCC(=O)Nc2ccc(Cl)cc2[O-])n1 ZINC000444325873 373184986 /nfs/dbraw/zinc/18/49/86/373184986.db2.gz BRQWJLNBYIQRNY-UHFFFAOYSA-N -1 3 296.779 3.382 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)Nc1cc(F)c(OC)cc1C ZINC000296599786 373191007 /nfs/dbraw/zinc/19/10/07/373191007.db2.gz HDZYVSVLKGILJM-VIFPVBQESA-N -1 3 284.331 3.242 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])[C@H]1COc2ccccc21 ZINC000175613201 373493109 /nfs/dbraw/zinc/49/31/09/373493109.db2.gz HFTRFYLQNYMQIN-NSHDSACASA-N -1 3 289.718 3.160 20 0 CGADHM C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)c1ccccc1[O-] ZINC000175764045 373516084 /nfs/dbraw/zinc/51/60/84/373516084.db2.gz FPKRXXFUKPXOEY-ZFWWWQNUSA-N -1 3 281.355 3.410 20 0 CGADHM CC(C)CC[C@H](C)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000299442524 373544571 /nfs/dbraw/zinc/54/45/71/373544571.db2.gz LLWJRNPNEKBYBN-LBPRGKRZSA-N -1 3 286.375 3.495 20 0 CGADHM C[C@H]1CCCN(Cc2ccc(F)c(Cl)c2)[C@H]1C(=O)[O-] ZINC000300274775 373624330 /nfs/dbraw/zinc/62/43/30/373624330.db2.gz UKAVNEQULBIIDL-TVQRCGJNSA-N -1 3 285.746 3.164 20 0 CGADHM O=C([O-])[C@@H]1[C@H]2CCC[C@H]2CN1Cc1cc(F)ccc1Cl ZINC000300003028 373618984 /nfs/dbraw/zinc/61/89/84/373618984.db2.gz RXHKVXFPHJFEGP-WFBYXXMGSA-N -1 3 297.757 3.164 20 0 CGADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCCCCC3)nc2)n1 ZINC000301191945 373688155 /nfs/dbraw/zinc/68/81/55/373688155.db2.gz XCTJWOQBQNIHLQ-UHFFFAOYSA-N -1 3 298.390 3.187 20 0 CGADHM Cc1cccc([O-])c1NC(=O)c1cc(=O)[nH]c2ccccc21 ZINC000179549041 373886010 /nfs/dbraw/zinc/88/60/10/373886010.db2.gz AZNONIXIJWNHQI-UHFFFAOYSA-N -1 3 294.310 3.207 20 0 CGADHM COc1cc(C(=O)Nc2cc(F)ccc2[O-])ccc1Cl ZINC000179645187 373898335 /nfs/dbraw/zinc/89/83/35/373898335.db2.gz KCXDDZBPMPBEOW-UHFFFAOYSA-N -1 3 295.697 3.446 20 0 CGADHM O=C(/C=C/c1cncc([O-])c1)N1CCC[C@H]1c1ccccc1 ZINC000179403099 373869629 /nfs/dbraw/zinc/86/96/29/373869629.db2.gz WQWINVYLSSQDHK-IJDCCNJMSA-N -1 3 294.354 3.164 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)C(C)(C)OC(C)C)c1[O-] ZINC000449887480 373958431 /nfs/dbraw/zinc/95/84/31/373958431.db2.gz JYNULGPUGFWING-UHFFFAOYSA-N -1 3 285.771 3.496 20 0 CGADHM Cc1cccc(C(=O)NCc2ccc(F)c(C)c2)c1[O-] ZINC000302950637 374008018 /nfs/dbraw/zinc/00/80/18/374008018.db2.gz MOGKVZGAFWJGOQ-UHFFFAOYSA-N -1 3 273.307 3.078 20 0 CGADHM Cc1cccc(C(=O)N2C[C@H](C)[C@@H]3CCCC[C@@H]32)c1[O-] ZINC000180520983 374016139 /nfs/dbraw/zinc/01/61/39/374016139.db2.gz TTYWJQOIRHOZGI-YDHLFZDLSA-N -1 3 273.376 3.351 20 0 CGADHM CCCNC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000303806763 374029984 /nfs/dbraw/zinc/02/99/84/374029984.db2.gz MRWZDVCMTHPBRC-UHFFFAOYSA-N -1 3 285.343 3.111 20 0 CGADHM O=C([O-])CCCCNCc1c(Cl)cccc1Cl ZINC000310451984 374215977 /nfs/dbraw/zinc/21/59/77/374215977.db2.gz VWVWDNOHXJMRAS-UHFFFAOYSA-N -1 3 276.163 3.338 20 0 CGADHM O=C([O-])[C@@H]1C=C[C@@H](NCc2cccc(Cl)c2Cl)C1 ZINC000310770620 374223641 /nfs/dbraw/zinc/22/36/41/374223641.db2.gz CPUGACXHRZCHPN-PSASIEDQSA-N -1 3 286.158 3.112 20 0 CGADHM O=C(NCC1(c2ccc(F)cc2)CCC1)c1cccc([O-])c1 ZINC000182274920 374250690 /nfs/dbraw/zinc/25/06/90/374250690.db2.gz BZMPVFKCXBLXLQ-UHFFFAOYSA-N -1 3 299.345 3.383 20 0 CGADHM C[C@@H](CNC(=O)c1cccc([O-])c1)c1ccc(F)cc1F ZINC000182527894 374287379 /nfs/dbraw/zinc/28/73/79/374287379.db2.gz HXWHARNOYXRTNS-JTQLQIEISA-N -1 3 291.297 3.204 20 0 CGADHM CCCOC1(CNC(=O)c2cccc([O-])c2)CCCCC1 ZINC000182561233 374288973 /nfs/dbraw/zinc/28/89/73/374288973.db2.gz HRDWBAUCDFRDEH-UHFFFAOYSA-N -1 3 291.391 3.252 20 0 CGADHM Cc1cccc2c(CCNC(=O)c3cccc([O-])c3)c[nH]c21 ZINC000182499850 374283797 /nfs/dbraw/zinc/28/37/97/374283797.db2.gz LRNSGGDIJAITRI-UHFFFAOYSA-N -1 3 294.354 3.154 20 0 CGADHM O=C(c1cc2ccccn2c1)N1CCCc2cccc([O-])c21 ZINC000182927580 374344793 /nfs/dbraw/zinc/34/47/93/374344793.db2.gz KLEJCDAMGORYIQ-UHFFFAOYSA-N -1 3 292.338 3.238 20 0 CGADHM CCO[N-]C(=O)Nc1c(C)cc(Br)cc1C ZINC000182931195 374345494 /nfs/dbraw/zinc/34/54/94/374345494.db2.gz XEBSRYZJNSYSCS-UHFFFAOYSA-N -1 3 287.157 3.139 20 0 CGADHM O=C(Cn1ccc2ccccc21)Nc1ccc([O-])cc1F ZINC000183242613 374391690 /nfs/dbraw/zinc/39/16/90/374391690.db2.gz HDERCFYQEVYXJP-UHFFFAOYSA-N -1 3 284.290 3.125 20 0 CGADHM Cc1ccc(O[C@@H](C)C(=O)Nc2ccc([O-])cc2F)cc1 ZINC000183279479 374396107 /nfs/dbraw/zinc/39/61/07/374396107.db2.gz DOBWAHHNIQHKHH-NSHDSACASA-N -1 3 289.306 3.246 20 0 CGADHM CC(C)C[C@H](C)OCCC(=O)Nc1ccc([O-])cc1F ZINC000183285652 374397334 /nfs/dbraw/zinc/39/73/34/374397334.db2.gz CJKCKSZMXCDELY-NSHDSACASA-N -1 3 283.343 3.311 20 0 CGADHM CC(C)C[C@@H](C)OCCC(=O)Nc1ccc([O-])cc1F ZINC000183285638 374397387 /nfs/dbraw/zinc/39/73/87/374397387.db2.gz CJKCKSZMXCDELY-LLVKDONJSA-N -1 3 283.343 3.311 20 0 CGADHM O=C(Nc1ccc([O-])cc1F)C1(c2cccc(F)c2)CC1 ZINC000183241099 374390545 /nfs/dbraw/zinc/39/05/45/374390545.db2.gz WGQOANBKNPFMPH-UHFFFAOYSA-N -1 3 289.281 3.341 20 0 CGADHM C[C@H](c1cccc(F)c1)N1CCC(C)(C(=O)[O-])CC1 ZINC000086776648 541940575 /nfs/dbraw/zinc/94/05/75/541940575.db2.gz JCGPFHGSHMHXGR-LLVKDONJSA-N -1 3 265.328 3.073 20 0 CGADHM Cc1cc2c(cc1C)[C@H](C(=O)Nc1ccccc1[O-])CO2 ZINC000184846333 374564161 /nfs/dbraw/zinc/56/41/61/374564161.db2.gz BZZQBAWTJWLKRS-CYBMUJFWSA-N -1 3 283.327 3.124 20 0 CGADHM CC(=O)c1ccc(C(=O)Nc2c(C)cccc2[O-])s1 ZINC000334219521 206210638 /nfs/dbraw/zinc/21/06/38/206210638.db2.gz UPWZBZLSGLZVLJ-UHFFFAOYSA-N -1 3 275.329 3.217 20 0 CGADHM CC(C)(C)[C@H]1CCCC[C@@H]1NC(=O)c1csc(=O)[n-]1 ZINC000332936439 374597388 /nfs/dbraw/zinc/59/73/88/374597388.db2.gz MPQUGCSXWJBBKV-UWVGGRQHSA-N -1 3 282.409 3.183 20 0 CGADHM CC(C)[C@@]1(C)C[C@@H]1NC(=O)Cc1ccc([O-])cc1Cl ZINC000458106943 374689498 /nfs/dbraw/zinc/68/94/98/374689498.db2.gz DPBBUVJJBLUYIS-DZGCQCFKSA-N -1 3 281.783 3.139 20 0 CGADHM CCCn1cc(C(=O)N2CC[C@@H](C)c3cccc([O-])c32)cn1 ZINC000186263611 374822921 /nfs/dbraw/zinc/82/29/21/374822921.db2.gz FXDLBXVHSGKTSP-GFCCVEGCSA-N -1 3 299.374 3.153 20 0 CGADHM [O-]c1ccc(F)c(CN2CCC(C(F)F)CC2)c1F ZINC000334468683 374777790 /nfs/dbraw/zinc/77/77/90/374777790.db2.gz GLHIUAZCIBDDJE-UHFFFAOYSA-N -1 3 277.261 3.148 20 0 CGADHM CCSCc1cc(C(=O)Nc2c(C)cccc2[O-])no1 ZINC000186305167 374830349 /nfs/dbraw/zinc/83/03/49/374830349.db2.gz LUCKXPBBHOQLJT-UHFFFAOYSA-N -1 3 292.360 3.194 20 0 CGADHM COc1ccc(F)cc1CC(=O)Nc1c(C)cccc1[O-] ZINC000186646145 374893322 /nfs/dbraw/zinc/89/33/22/374893322.db2.gz OSMMUMBJXDZDJL-UHFFFAOYSA-N -1 3 289.306 3.030 20 0 CGADHM C[C@@H]1CCN(C(=O)CC[C@H]2CCOC2)c2c([O-])cccc21 ZINC000186331811 374833998 /nfs/dbraw/zinc/83/39/98/374833998.db2.gz MYCSOSXEYCWKKC-OLZOCXBDSA-N -1 3 289.375 3.049 20 0 CGADHM CCSc1cccc(NC([O-])=NO[C@@H]2CCCCO2)c1 ZINC000187206114 374987291 /nfs/dbraw/zinc/98/72/91/374987291.db2.gz DCYAYCZOWTZWMF-CYBMUJFWSA-N -1 3 296.392 3.378 20 0 CGADHM CCSc1cccc(NC(=O)[N-]O[C@@H]2CCCCO2)c1 ZINC000187206114 374987293 /nfs/dbraw/zinc/98/72/93/374987293.db2.gz DCYAYCZOWTZWMF-CYBMUJFWSA-N -1 3 296.392 3.378 20 0 CGADHM O=C(C[C@H]1C=CCCC1)N1CCCc2cccc([O-])c21 ZINC000187452304 375023457 /nfs/dbraw/zinc/02/34/57/375023457.db2.gz XHDJQDLRPDZHEO-ZDUSSCGKSA-N -1 3 271.360 3.418 20 0 CGADHM CC[C@H]1CCCC[C@H]1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000474420168 375110968 /nfs/dbraw/zinc/11/09/68/375110968.db2.gz XLJBILJDAHFOOY-SMDDNHRTSA-N -1 3 299.378 3.022 20 0 CGADHM CC[C@H]1CCCC[C@H]1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000474420168 375110976 /nfs/dbraw/zinc/11/09/76/375110976.db2.gz XLJBILJDAHFOOY-SMDDNHRTSA-N -1 3 299.378 3.022 20 0 CGADHM CCc1ccc(C(=O)N2CCc3ccccc3C2)c([O-])c1 ZINC000188386037 375207453 /nfs/dbraw/zinc/20/74/53/375207453.db2.gz XGTBPUWMJSSFRC-UHFFFAOYSA-N -1 3 281.355 3.153 20 0 CGADHM CCCc1[nH]ccc1C(=O)N1CCCc2cccc([O-])c21 ZINC000335194474 375215801 /nfs/dbraw/zinc/21/58/01/375215801.db2.gz SAEGETHFDDZFBZ-UHFFFAOYSA-N -1 3 284.359 3.266 20 0 CGADHM Cc1coc2ccc(NC(=O)c3cccc4nn[n-]c43)cc12 ZINC000188870333 375284361 /nfs/dbraw/zinc/28/43/61/375284361.db2.gz POZVIMQFKHVOHT-UHFFFAOYSA-N -1 3 292.298 3.265 20 0 CGADHM Cc1coc2ccc(NC(=O)c3cccc4[n-]nnc43)cc12 ZINC000188870333 375284364 /nfs/dbraw/zinc/28/43/64/375284364.db2.gz POZVIMQFKHVOHT-UHFFFAOYSA-N -1 3 292.298 3.265 20 0 CGADHM Cc1coc2ccc(NC(=O)c3cccc4n[n-]nc43)cc12 ZINC000188870333 375284369 /nfs/dbraw/zinc/28/43/69/375284369.db2.gz POZVIMQFKHVOHT-UHFFFAOYSA-N -1 3 292.298 3.265 20 0 CGADHM Cc1csc(CNC(=O)c2cc([O-])ccc2Cl)c1 ZINC000335729605 375383315 /nfs/dbraw/zinc/38/33/15/375383315.db2.gz SAOJNEHPLDJEDS-UHFFFAOYSA-N -1 3 281.764 3.346 20 0 CGADHM O=C(NCc1ncccc1[O-])c1c(Cl)cccc1Cl ZINC000335790219 375432165 /nfs/dbraw/zinc/43/21/65/375432165.db2.gz UWAWTEZIHWPIKN-UHFFFAOYSA-N -1 3 297.141 3.024 20 0 CGADHM Cc1ccc(CC[S@@](=O)c2ccc([O-])cc2)cc1 ZINC000191181596 375590426 /nfs/dbraw/zinc/59/04/26/375590426.db2.gz LTAXDYRXSKTOGP-GOSISDBHSA-N -1 3 260.358 3.051 20 0 CGADHM Cc1nc(CC(C)C)oc1C(=O)Nc1c(C)cccc1[O-] ZINC000190964245 375555725 /nfs/dbraw/zinc/55/57/25/375555725.db2.gz DSUGFBDFGWYARI-UHFFFAOYSA-N -1 3 288.347 3.448 20 0 CGADHM CN(Cc1c(F)ccc([O-])c1F)C1CCCCC1 ZINC000506862594 375666690 /nfs/dbraw/zinc/66/66/90/375666690.db2.gz RUEGYBRMXWDDKT-UHFFFAOYSA-N -1 3 255.308 3.435 20 0 CGADHM CC(C)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cccs2)C1 ZINC000507536997 375713270 /nfs/dbraw/zinc/71/32/70/375713270.db2.gz PWXDROVMJMSEFY-NWDGAFQWSA-N -1 3 287.450 3.241 20 0 CGADHM CC1(C)[C@@H]2CN(Cc3cccc([O-])c3Cl)C[C@@H]21 ZINC000508745475 375759202 /nfs/dbraw/zinc/75/92/02/375759202.db2.gz FYECPWOXQXCVKN-PHIMTYICSA-N -1 3 251.757 3.133 20 0 CGADHM O=C(c1cccc([O-])c1)N1CCC(CC(F)(F)F)CC1 ZINC000336600922 375863672 /nfs/dbraw/zinc/86/36/72/375863672.db2.gz QMDCBQOCESYZQE-UHFFFAOYSA-N -1 3 287.281 3.197 20 0 CGADHM CCCc1ccc(CSc2ncc(C(=O)OC)[n-]2)cc1 ZINC000193535666 375892594 /nfs/dbraw/zinc/89/25/94/375892594.db2.gz HMTDACGUKMZECT-UHFFFAOYSA-N -1 3 290.388 3.441 20 0 CGADHM Cc1cc2c([n-]c(CO[C@H]3CCCC[C@H]3C)nc2=O)s1 ZINC000194400553 375999458 /nfs/dbraw/zinc/99/94/58/375999458.db2.gz VSRXHANMESOQQG-SKDRFNHKSA-N -1 3 292.404 3.388 20 0 CGADHM O=C(c1ccc2c(c1[O-])CCCC2)N1CC[C@@H]2CCC[C@@H]21 ZINC000436838016 296238753 /nfs/dbraw/zinc/23/87/53/296238753.db2.gz POLBRNMRUKGQAV-BBRMVZONSA-N -1 3 285.387 3.286 20 0 CGADHM [O-]c1ccc(Br)c(/C=C\c2ccncn2)c1 ZINC000535748021 376053333 /nfs/dbraw/zinc/05/33/33/376053333.db2.gz DVBOZRDHLJWEAF-UPHRSURJSA-N -1 3 277.121 3.115 20 0 CGADHM Cc1cccc(C)c1C(=O)Nc1cc(F)ccc1[O-] ZINC000536209281 376082484 /nfs/dbraw/zinc/08/24/84/376082484.db2.gz MDIPKVIVOBTWAU-UHFFFAOYSA-N -1 3 259.280 3.400 20 0 CGADHM C[C@@H]1C[C@@H]1c1ccc(CN2CCC[C@@H](CC(=O)[O-])C2)o1 ZINC000226420146 376358339 /nfs/dbraw/zinc/35/83/39/376358339.db2.gz AKTZPCOCLHGNFG-DYEKYZERSA-N -1 3 277.364 3.090 20 0 CGADHM [O-]c1cc(F)cc(CNc2ccc(OC(F)F)nc2)c1 ZINC000338473654 376384843 /nfs/dbraw/zinc/38/48/43/376384843.db2.gz DMNMTQGEWUQIOQ-UHFFFAOYSA-N -1 3 284.237 3.140 20 0 CGADHM C[C@@H]1CCC[C@@H](OCC(=O)Nc2ccc([O-])cc2F)C1 ZINC000541892487 376492892 /nfs/dbraw/zinc/49/28/92/376492892.db2.gz WELSOIHRKHVALH-ZYHUDNBSSA-N -1 3 281.327 3.065 20 0 CGADHM Cc1ccc(C(=O)N2CC[C@@H](Nc3ccccc3)C2)c([O-])c1 ZINC000334335890 206388962 /nfs/dbraw/zinc/38/89/62/206388962.db2.gz REJRTRFJRQHTPW-OAHLLOKOSA-N -1 3 296.370 3.027 20 0 CGADHM O=C(c1cccc([O-])c1)N1C[C@@H]2CCCN2c2ccccc21 ZINC000542818242 376582136 /nfs/dbraw/zinc/58/21/36/376582136.db2.gz RHVOVEWODQVIJC-AWEZNQCLSA-N -1 3 294.354 3.021 20 0 CGADHM C[C@@H](Cc1ccccc1Cl)C(=O)Nc1ncccc1[O-] ZINC000338939004 376585018 /nfs/dbraw/zinc/58/50/18/376585018.db2.gz GNNDCJGXMXQIGA-JTQLQIEISA-N -1 3 290.750 3.258 20 0 CGADHM CC[C@H]1C[C@@H](C(=O)Nc2ccc(Cl)cc2[O-])CCO1 ZINC000334338231 206390728 /nfs/dbraw/zinc/39/07/28/206390728.db2.gz XUVUQBVKUZMLIA-ONGXEEELSA-N -1 3 283.755 3.189 20 0 CGADHM CC[C@H]1C[C@H](C(=O)Nc2ccc(Cl)cc2[O-])CCO1 ZINC000334338229 206391390 /nfs/dbraw/zinc/39/13/90/206391390.db2.gz XUVUQBVKUZMLIA-KOLCDFICSA-N -1 3 283.755 3.189 20 0 CGADHM CCc1noc(C)c1C(=O)[N-]c1cc(F)cc(F)c1F ZINC000334367801 206434347 /nfs/dbraw/zinc/43/43/47/206434347.db2.gz LCQPSKFHUBFAGA-UHFFFAOYSA-N -1 3 284.237 3.215 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2cc(F)c(F)cc2F)n1 ZINC000339115930 376689202 /nfs/dbraw/zinc/68/92/02/376689202.db2.gz VEHNWGHSQBEFHZ-IHWYPQMZSA-N -1 3 266.222 3.078 20 0 CGADHM Cc1cc(F)c(C(=O)Nc2cc(F)ccc2[O-])cc1F ZINC000136989868 542092793 /nfs/dbraw/zinc/09/27/93/542092793.db2.gz AIYNVJOZELLURH-UHFFFAOYSA-N -1 3 281.233 3.370 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])c1cccc2n[nH]cc21 ZINC000340236110 376958137 /nfs/dbraw/zinc/95/81/37/376958137.db2.gz NODRBMMSKICGNL-UHFFFAOYSA-N -1 3 287.706 3.174 20 0 CGADHM CCN(Cc1ncccc1[O-])[C@@H](C)c1cccc(OC)c1 ZINC000558396842 377001229 /nfs/dbraw/zinc/00/12/29/377001229.db2.gz CWGRMDMOEBZKON-ZDUSSCGKSA-N -1 3 286.375 3.379 20 0 CGADHM [O-]c1ccc(Cc2nc(CC3CCC3)no2)c(Cl)c1 ZINC000560456368 377151855 /nfs/dbraw/zinc/15/18/55/377151855.db2.gz TWISGEZNJYOKKQ-UHFFFAOYSA-N -1 3 278.739 3.362 20 0 CGADHM Cc1ccc(CC=CC(=O)N=c2cc3ccccn3[n-]2)cc1 ZINC000561153785 377210267 /nfs/dbraw/zinc/21/02/67/377210267.db2.gz MFQMBLMVOAHAPW-SNAWJCMRSA-N -1 3 291.354 3.107 20 0 CGADHM Cc1ccccc1CN[C@@]1(C(=O)[O-])CCc2c1cccc2F ZINC000340681388 377213744 /nfs/dbraw/zinc/21/37/44/377213744.db2.gz OJMSCBOHQJBYLV-SFHVURJKSA-N -1 3 299.345 3.150 20 0 CGADHM CCc1coc([N-]C(=O)c2coc(C3CCCC3)n2)n1 ZINC000561310379 377218378 /nfs/dbraw/zinc/21/83/78/377218378.db2.gz KEERIPUUMPWUMP-UHFFFAOYSA-N -1 3 275.308 3.135 20 0 CGADHM FC(F)(F)c1csc(=NCCC2(F)CCC2)[n-]1 ZINC000340959793 377337767 /nfs/dbraw/zinc/33/77/67/377337767.db2.gz KWPXUECZRXDKSL-UHFFFAOYSA-N -1 3 268.279 3.278 20 0 CGADHM C[C@H]1C[C@H](C)N1Cc1cc([O-])cc(C(F)(F)F)c1 ZINC000562212082 377284938 /nfs/dbraw/zinc/28/49/38/377284938.db2.gz QUYJRVFOWFQLJY-IUCAKERBSA-N -1 3 259.271 3.394 20 0 CGADHM C[C@@H](NCc1cccc([O-])c1Br)C(C)(F)F ZINC000315200001 249097773 /nfs/dbraw/zinc/09/77/73/249097773.db2.gz DBPNXFQRNXANGE-SSDOTTSWSA-N -1 3 294.139 3.288 20 0 CGADHM [O-]c1cccc(CN2C[C@H]3CCC[C@@H]3C2)c1Br ZINC000315317680 249098949 /nfs/dbraw/zinc/09/89/49/249098949.db2.gz AOLYWFNOUDAVAL-GHMZBOCLSA-N -1 3 296.208 3.387 20 0 CGADHM CC1(CCNCc2cccc([O-])c2Br)CC1 ZINC000459507300 249153047 /nfs/dbraw/zinc/15/30/47/249153047.db2.gz RAZZWRJZAFHAOD-UHFFFAOYSA-N -1 3 284.197 3.435 20 0 CGADHM Cc1cc(C(=O)NCC2(C3CCC3)CCC2)ccc1[O-] ZINC000457156900 249144310 /nfs/dbraw/zinc/14/43/10/249144310.db2.gz GPRZBLNUEAVUIL-UHFFFAOYSA-N -1 3 273.376 3.401 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])[C@@H]1C[C@H]1C1CCC1 ZINC000516654592 249240755 /nfs/dbraw/zinc/24/07/55/249240755.db2.gz HXOHEPNDLJSPIG-WDEREUQCSA-N -1 3 265.740 3.420 20 0 CGADHM O=C(/C=C\c1cncc([O-])c1)N[C@H](c1ccccc1)C1CC1 ZINC000254993414 377720638 /nfs/dbraw/zinc/72/06/38/377720638.db2.gz FKGPUZULALGYQB-OTIVFRFGSA-N -1 3 294.354 3.068 20 0 CGADHM COc1cccc(C(=O)NCC[C@H](C)c2ccccc2)c1[O-] ZINC000261381398 377811786 /nfs/dbraw/zinc/81/17/86/377811786.db2.gz GDNCYGXUAPXXPE-ZDUSSCGKSA-N -1 3 299.370 3.324 20 0 CGADHM CC(C)(CCNCc1ccc(F)cc1Cl)C(=O)[O-] ZINC000261558787 377816597 /nfs/dbraw/zinc/81/65/97/377816597.db2.gz DJRXZTQGFGQGBQ-UHFFFAOYSA-N -1 3 273.735 3.070 20 0 CGADHM CN(CCCOc1ccccc1)Cc1ccc(C(=O)[O-])cc1 ZINC000261978820 377876163 /nfs/dbraw/zinc/87/61/63/377876163.db2.gz QYXXICJVNKQZDK-UHFFFAOYSA-N -1 3 299.370 3.286 20 0 CGADHM COc1ccc(CN2C[C@H](C(=O)[O-])CC[C@H]2C)c(Cl)c1 ZINC000263350733 377927420 /nfs/dbraw/zinc/92/74/20/377927420.db2.gz PRSIAXNRMIKSJQ-ZYHUDNBSSA-N -1 3 297.782 3.034 20 0 CGADHM CC(C)C[C@H](CNCc1ccc(F)cc1Cl)C(=O)[O-] ZINC000263454122 377939215 /nfs/dbraw/zinc/93/92/15/377939215.db2.gz BLTVSVNBEYJJNX-LLVKDONJSA-N -1 3 287.762 3.316 20 0 CGADHM CC(C)C[C@H](CNCc1ccccc1Cl)C(=O)[O-] ZINC000263468117 377939238 /nfs/dbraw/zinc/93/92/38/377939238.db2.gz GUALOJKQVUNPID-GFCCVEGCSA-N -1 3 269.772 3.177 20 0 CGADHM CCSc1cccc(CN2CCC[C@H](C(=O)[O-])C2)c1 ZINC000263449722 377939904 /nfs/dbraw/zinc/93/99/04/377939904.db2.gz ZCEFVTOOUMOMLP-ZDUSSCGKSA-N -1 3 279.405 3.095 20 0 CGADHM CCCCOc1ccccc1CN(C)C[C@@H](C)C(=O)[O-] ZINC000263532228 377946094 /nfs/dbraw/zinc/94/60/94/377946094.db2.gz XEWFMXFWSQOEOA-CYBMUJFWSA-N -1 3 279.380 3.018 20 0 CGADHM C[C@H](CN1CCC[C@H](C(=O)[O-])[C@@H]1C)c1cc(F)cc(F)c1 ZINC000263018838 377913883 /nfs/dbraw/zinc/91/38/83/377913883.db2.gz DQXXKUAMUNLOHO-ZETOZRRWSA-N -1 3 297.345 3.253 20 0 CGADHM Cc1nsc([N-]C(=O)c2sc(C(C)(C)C)nc2C)n1 ZINC000266346699 378019530 /nfs/dbraw/zinc/01/95/30/378019530.db2.gz DLJMJFACDOAJCI-UHFFFAOYSA-N -1 3 296.421 3.161 20 0 CGADHM Cc1csc(C2(NCc3ncccc3[O-])CCCC2)n1 ZINC000575955611 378003391 /nfs/dbraw/zinc/00/33/91/378003391.db2.gz QVUCSXLNZIMYND-UHFFFAOYSA-N -1 3 289.404 3.111 20 0 CGADHM CC[C@@]1(C)CCN(Cc2csc(C(=O)[O-])c2)C1 ZINC000578137653 378041025 /nfs/dbraw/zinc/04/10/25/378041025.db2.gz PZXYURBIZKSWFF-ZDUSSCGKSA-N -1 3 253.367 3.068 20 0 CGADHM CCCCn1c(=O)[n-]nc1SCCCC1CCOCC1 ZINC000578145379 378042822 /nfs/dbraw/zinc/04/28/22/378042822.db2.gz IGTOCNVSVAOSEX-UHFFFAOYSA-N -1 3 299.440 3.083 20 0 CGADHM COc1cccc(SCc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000578604068 378084585 /nfs/dbraw/zinc/08/45/85/378084585.db2.gz KBSXKMPLLFQVHE-UHFFFAOYSA-N -1 3 288.372 3.361 20 0 CGADHM Cc1oc(CN(C)C[C@@H]2CCCC2(F)F)cc1C(=O)[O-] ZINC000578660659 378090464 /nfs/dbraw/zinc/09/04/64/378090464.db2.gz PYTOQJJOTVJXAP-JTQLQIEISA-N -1 3 287.306 3.153 20 0 CGADHM CCOc1cc(-c2noc([C@]34C[C@H]3CCC4)n2)ccc1[O-] ZINC000578876102 378108578 /nfs/dbraw/zinc/10/85/78/378108578.db2.gz ZAOZRRJPUUYJKF-BDJLRTHQSA-N -1 3 286.331 3.283 20 0 CGADHM CC1(C)CCCN1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000345380081 378272795 /nfs/dbraw/zinc/27/27/95/378272795.db2.gz GJSIJXZAMCSECH-UHFFFAOYSA-N -1 3 279.355 3.255 20 0 CGADHM C[C@@H](c1ccccc1Cl)N(C)CC1(C(=O)[O-])CC1 ZINC000581435042 378278876 /nfs/dbraw/zinc/27/88/76/378278876.db2.gz YAYLBGOQWMAUEU-JTQLQIEISA-N -1 3 267.756 3.198 20 0 CGADHM CC(=O)c1cccc(O[C@@H](C)C(=O)Nc2ccccc2[O-])c1 ZINC000345433094 378281708 /nfs/dbraw/zinc/28/17/08/378281708.db2.gz JXZUZNVZPKBVPW-LBPRGKRZSA-N -1 3 299.326 3.001 20 0 CGADHM C[C@@H]1CN(Cc2ccc(F)cc2Cl)C[C@]1(C)C(=O)[O-] ZINC000582068696 378282876 /nfs/dbraw/zinc/28/28/76/378282876.db2.gz ZKIORNMGDOMRNL-OTYXRUKQSA-N -1 3 285.746 3.022 20 0 CGADHM C[C@H]1CC[C@@H](C(=O)Nc2ccc(Cl)cc2[O-])C1 ZINC000345570737 378312869 /nfs/dbraw/zinc/31/28/69/378312869.db2.gz RVKFEPMITOMJBN-DTWKUNHWSA-N -1 3 253.729 3.420 20 0 CGADHM CN(CCc1ccccc1)Cc1csc(C(=O)[O-])c1 ZINC000583327163 378322842 /nfs/dbraw/zinc/32/28/42/378322842.db2.gz CIMYFPBXNFRDJJ-UHFFFAOYSA-N -1 3 275.373 3.121 20 0 CGADHM CC[C@@]1(C)CCCN(Cc2cc(C)c(C(=O)[O-])o2)C1 ZINC000583636273 378337671 /nfs/dbraw/zinc/33/76/71/378337671.db2.gz PXZLWBMWYWWORC-HNNXBMFYSA-N -1 3 265.353 3.298 20 0 CGADHM Cc1ccc([O-])c(NC(=O)CCc2c[nH]c3ccccc23)n1 ZINC000345926649 378410614 /nfs/dbraw/zinc/41/06/14/378410614.db2.gz MGEKBICZDWPOTH-UHFFFAOYSA-N -1 3 295.342 3.148 20 0 CGADHM Cc1ccc([O-])c(NC(=O)C/C=C\c2ccccc2F)n1 ZINC000346001516 378435785 /nfs/dbraw/zinc/43/57/85/378435785.db2.gz WIPDWNLEOZKRTP-XQRVVYSFSA-N -1 3 286.306 3.277 20 0 CGADHM Cc1ccc(-c2cc(-c3nc(CC(C)C)no3)n[n-]2)o1 ZINC000346176877 378491630 /nfs/dbraw/zinc/49/16/30/378491630.db2.gz ICOKLSFNCHGLEA-UHFFFAOYSA-N -1 3 272.308 3.227 20 0 CGADHM Cc1ccc(-c2cc(-c3nc(CC(C)C)no3)[n-]n2)o1 ZINC000346176877 378491637 /nfs/dbraw/zinc/49/16/37/378491637.db2.gz ICOKLSFNCHGLEA-UHFFFAOYSA-N -1 3 272.308 3.227 20 0 CGADHM CC(C)c1ccc(C(=O)NOC2CCCC2)c([O-])c1 ZINC000272098163 378562071 /nfs/dbraw/zinc/56/20/71/378562071.db2.gz KUWDYLFJEZMYDT-UHFFFAOYSA-N -1 3 263.337 3.120 20 0 CGADHM CC(=O)c1cc(C(=O)[N-]c2c(C)noc2C2CC2)cs1 ZINC000346406950 378569483 /nfs/dbraw/zinc/56/94/83/378569483.db2.gz ZTMFSNDHGAZLSG-UHFFFAOYSA-N -1 3 290.344 3.377 20 0 CGADHM CCSCC[C@@H](C)N(C)C(=O)c1ccc([O-])c(OC)c1 ZINC000272572853 378668789 /nfs/dbraw/zinc/66/87/89/378668789.db2.gz CRYJGGFGLWBMDG-LLVKDONJSA-N -1 3 297.420 3.005 20 0 CGADHM Cc1c(C(=O)Nc2c(C)cccc2[O-])[nH]c2c1C(=O)CCC2 ZINC000272468116 378644486 /nfs/dbraw/zinc/64/44/86/378644486.db2.gz KZRRIOQXDZZEQT-UHFFFAOYSA-N -1 3 298.342 3.108 20 0 CGADHM CC[C@H](C)[C@@H](C)C(=O)N1CCCc2cccc([O-])c21 ZINC000272919761 378722061 /nfs/dbraw/zinc/72/20/61/378722061.db2.gz DZDPEFLJUJXHAB-NWDGAFQWSA-N -1 3 261.365 3.354 20 0 CGADHM COCC[C@H](NCc1cc([O-])cc(F)c1)c1ccc(C)o1 ZINC000274437687 378832393 /nfs/dbraw/zinc/83/23/93/378832393.db2.gz OAXCUFQBNUTTOE-HNNXBMFYSA-N -1 3 293.338 3.300 20 0 CGADHM CCCc1nc(C(=O)[N-]c2cc(F)cc(F)c2F)co1 ZINC000348137492 378808528 /nfs/dbraw/zinc/80/85/28/378808528.db2.gz FNGOQPUZCHSICI-UHFFFAOYSA-N -1 3 284.237 3.297 20 0 CGADHM Cc1ccc([O-])c(CNc2cccc(NC(=O)C3CC3)c2)n1 ZINC000266227225 190241310 /nfs/dbraw/zinc/24/13/10/190241310.db2.gz SQSXGBYXJPMGBN-UHFFFAOYSA-N -1 3 297.358 3.056 20 0 CGADHM COc1cccc(C2(NCc3cc([O-])cc(F)c3)CC2)c1 ZINC000274449946 378835869 /nfs/dbraw/zinc/83/58/69/378835869.db2.gz QNRVVUMRULACSY-UHFFFAOYSA-N -1 3 287.334 3.319 20 0 CGADHM O=C(/C=C/Sc1ccccc1)[N-]OCCC(F)(F)F ZINC000275126760 378941323 /nfs/dbraw/zinc/94/13/23/378941323.db2.gz ZZZSHZWLHDZLOC-RMKNXTFCSA-N -1 3 291.294 3.293 20 0 CGADHM CCC(C)(C)CNC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000277230816 379103408 /nfs/dbraw/zinc/10/34/08/379103408.db2.gz BLAVEAWJTIVZKK-UHFFFAOYSA-N -1 3 272.348 3.106 20 0 CGADHM CC(C)(C)c1nc(C=Cc2cccnc2)cc(=O)[n-]1 ZINC000347419756 218228266 /nfs/dbraw/zinc/22/82/66/218228266.db2.gz SEIPZDCEZIPFIN-SREVYHEPSA-N -1 3 255.321 3.045 20 0 CGADHM C[C@@H](C(=O)[O-])[C@@H](NCc1ccsc1)c1ccccc1 ZINC000277454350 379163155 /nfs/dbraw/zinc/16/31/55/379163155.db2.gz VHASZNBTWVBPMN-BXUZGUMPSA-N -1 3 275.373 3.300 20 0 CGADHM C[C@@H](CCCC(=O)[O-])NCc1ccc(Cl)cc1F ZINC000277344910 379138284 /nfs/dbraw/zinc/13/82/84/379138284.db2.gz OZTQPLKPRRONNC-VIFPVBQESA-N -1 3 273.735 3.212 20 0 CGADHM CC[C@@](C)(CNCc1cc(Cl)ccc1F)C(=O)[O-] ZINC000278052341 379286921 /nfs/dbraw/zinc/28/69/21/379286921.db2.gz TWCRKAXWNWAWCL-ZDUSSCGKSA-N -1 3 273.735 3.070 20 0 CGADHM C[C@@H]1CC[C@@H](NC(=O)c2cc(=O)c3ccccc3[n-]2)C[C@@H]1C ZINC000349581265 379311040 /nfs/dbraw/zinc/31/10/40/379311040.db2.gz DJPABOYJHMTJMU-FRRDWIJNSA-N -1 3 298.386 3.083 20 0 CGADHM C[C@@H]1CC[C@@H](NC(=O)c2c[n-]c3ccccc3c2=O)C[C@H]1C ZINC000349591462 379312799 /nfs/dbraw/zinc/31/27/99/379312799.db2.gz UPCDBVDJXIIMTO-JHJVBQTASA-N -1 3 298.386 3.083 20 0 CGADHM Cc1cccc(C(=O)N2CCC(c3ccccn3)CC2)c1[O-] ZINC000374368863 379429572 /nfs/dbraw/zinc/42/95/72/379429572.db2.gz WKFGQLFRRGINKW-UHFFFAOYSA-N -1 3 296.370 3.115 20 0 CGADHM C[C@@H]1CN(C(=O)c2cc(C(F)F)[n-]n2)c2ccccc21 ZINC000639530973 379456963 /nfs/dbraw/zinc/45/69/63/379456963.db2.gz PQKHAJQEHAWSLH-MRVPVSSYSA-N -1 3 277.274 3.111 20 0 CGADHM CCC[C@@](C)(CC)C(=O)NCc1ccc([O-])c(F)c1 ZINC000279853160 379533311 /nfs/dbraw/zinc/53/33/11/379533311.db2.gz KFZAMKHFSWRYAY-OAHLLOKOSA-N -1 3 267.344 3.364 20 0 CGADHM Cc1ccc([O-])c(-c2nc(-c3ccnc(C)c3)no2)c1 ZINC000350580978 379566365 /nfs/dbraw/zinc/56/63/65/379566365.db2.gz OCOHDQUMURWFLS-UHFFFAOYSA-N -1 3 267.288 3.121 20 0 CGADHM O=C1C[C@H](c2nc(-c3ccc([O-])cc3)no2)c2ccccc21 ZINC000350586372 379567132 /nfs/dbraw/zinc/56/71/32/379567132.db2.gz VVWOJIVZXWJVMX-AWEZNQCLSA-N -1 3 292.294 3.161 20 0 CGADHM COc1cc(-c2noc(-c3oc(C)cc3C)n2)ccc1[O-] ZINC000350592595 379569658 /nfs/dbraw/zinc/56/96/58/379569658.db2.gz YNLYNIFJDZIBIG-UHFFFAOYSA-N -1 3 286.287 3.328 20 0 CGADHM CCC[C@](C)(CC)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000280374985 379692090 /nfs/dbraw/zinc/69/20/90/379692090.db2.gz VPRQADOMRNNDIP-HNNXBMFYSA-N -1 3 287.367 3.022 20 0 CGADHM CCC[C@](C)(CC)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000280374985 379692097 /nfs/dbraw/zinc/69/20/97/379692097.db2.gz VPRQADOMRNNDIP-HNNXBMFYSA-N -1 3 287.367 3.022 20 0 CGADHM C[C@@H]1Oc2cc(F)ccc2[C@@H]1NCc1cc([O-])cc(F)c1 ZINC000377382339 379665366 /nfs/dbraw/zinc/66/53/66/379665366.db2.gz KZCVFRSEINXDBN-XXFAHNHDSA-N -1 3 291.297 3.282 20 0 CGADHM COc1cc(NC([O-])=NOC2CCCC2)c(C)cc1C ZINC000280630487 379750019 /nfs/dbraw/zinc/75/00/19/379750019.db2.gz ZXBQYLAJYDXHTD-UHFFFAOYSA-N -1 3 278.352 3.308 20 0 CGADHM COc1cc(NC(=O)[N-]OC2CCCC2)c(C)cc1C ZINC000280630487 379750021 /nfs/dbraw/zinc/75/00/21/379750021.db2.gz ZXBQYLAJYDXHTD-UHFFFAOYSA-N -1 3 278.352 3.308 20 0 CGADHM Cc1nocc1[N-]C(=O)c1cn(CC(C)C)nc1C(F)F ZINC000640481251 379808239 /nfs/dbraw/zinc/80/82/39/379808239.db2.gz SBKUYFVZWAEEHU-UHFFFAOYSA-N -1 3 298.293 3.025 20 0 CGADHM [O-]c1cccnc1CNCc1csc(-c2ccccc2)n1 ZINC000347788070 218358255 /nfs/dbraw/zinc/35/82/55/218358255.db2.gz IOXNNMQUPGRZGH-UHFFFAOYSA-N -1 3 297.383 3.201 20 0 CGADHM O=C([O-])CCCCN1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000378634036 379849469 /nfs/dbraw/zinc/84/94/69/379849469.db2.gz BMJKIZZWZFWPGN-CQSZACIVSA-N -1 3 283.318 3.357 20 0 CGADHM [O-]c1cccc(CN2CC[C@@H]3CCC[C@@H]32)c1Cl ZINC000378832124 379856852 /nfs/dbraw/zinc/85/68/52/379856852.db2.gz KOPPGXRAPREPOG-JQWIXIFHSA-N -1 3 251.757 3.420 20 0 CGADHM Cc1ccc(C(=O)N2CC(C)(C)[C@@H]3CCC[C@H]32)c([O-])c1 ZINC000378845104 379860323 /nfs/dbraw/zinc/86/03/23/379860323.db2.gz RFLPSZZKSBUZFC-ZIAGYGMSSA-N -1 3 273.376 3.351 20 0 CGADHM C[C@@H](Cc1cccc(O)c1)NCc1c(F)ccc([O-])c1F ZINC000352442738 379815974 /nfs/dbraw/zinc/81/59/74/379815974.db2.gz WNWVVTVQQUDQNV-JTQLQIEISA-N -1 3 293.313 3.097 20 0 CGADHM CC(=O)c1ccc(CC(=O)Nc2c(C)cccc2[O-])cc1 ZINC000352638836 379886760 /nfs/dbraw/zinc/88/67/60/379886760.db2.gz VXEKUFMPYNMXGQ-UHFFFAOYSA-N -1 3 283.327 3.084 20 0 CGADHM CCC1(CNCc2c(F)ccc([O-])c2F)CCC1 ZINC000352654235 379895132 /nfs/dbraw/zinc/89/51/32/379895132.db2.gz JCWAEDMUBAUULQ-UHFFFAOYSA-N -1 3 255.308 3.340 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)[C@H]2C[C@@H]2C)c1-c1ccc(Cl)cc1 ZINC000641247629 379979753 /nfs/dbraw/zinc/97/97/53/379979753.db2.gz DEIRVEOKQHOQHK-UFBFGSQYSA-N -1 3 289.766 3.055 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CC[C@H](C)C[C@H]2C)c(F)c1 ZINC000404891224 379984543 /nfs/dbraw/zinc/98/45/43/379984543.db2.gz YLASEMADTJMWIZ-ZKYQVNSYSA-N -1 3 299.411 3.237 20 0 CGADHM [O-]c1cc(CNc2cccnc2)cc(C(F)(F)F)c1 ZINC000352845184 380000621 /nfs/dbraw/zinc/00/06/21/380000621.db2.gz ZTVVXHKTSBWFAH-UHFFFAOYSA-N -1 3 268.238 3.418 20 0 CGADHM CC[C@@H]1[C@@H](C)CCN1Cc1c(F)ccc([O-])c1F ZINC000352944061 380051407 /nfs/dbraw/zinc/05/14/07/380051407.db2.gz FTOZYARNYIFVBU-JOYOIKCWSA-N -1 3 255.308 3.291 20 0 CGADHM CC(C)C[C@@H](C)OCCc1nc(-c2ccc([O-])cc2)no1 ZINC000268016126 190369947 /nfs/dbraw/zinc/36/99/47/190369947.db2.gz BYHLKSODFVSFNW-GFCCVEGCSA-N -1 3 290.363 3.436 20 0 CGADHM [O-]c1cccnc1CNCc1cccc(Cl)c1Cl ZINC000347911750 218396632 /nfs/dbraw/zinc/39/66/32/218396632.db2.gz UZBPXTPGKIPYHJ-UHFFFAOYSA-N -1 3 283.158 3.384 20 0 CGADHM Cc1coc(C)c1C(=O)[N-]c1nnc(C(F)(F)F)s1 ZINC000283278902 380050152 /nfs/dbraw/zinc/05/01/52/380050152.db2.gz DRWRYCPMTRCZEJ-UHFFFAOYSA-N -1 3 291.254 3.019 20 0 CGADHM CC[C@H]1CC[C@@H](c2nc(-c3ccc([O-])c(OC)c3)no2)O1 ZINC000268070927 190374486 /nfs/dbraw/zinc/37/44/86/190374486.db2.gz JXOSEQZVNNZQAD-JQWIXIFHSA-N -1 3 290.319 3.081 20 0 CGADHM COc1ccc(C(=O)N(C2CC2)C2CCCCC2)c([O-])c1 ZINC000642061671 380135455 /nfs/dbraw/zinc/13/54/55/380135455.db2.gz JLRYDCQUTDYWBY-UHFFFAOYSA-N -1 3 289.375 3.338 20 0 CGADHM COc1cc(C(=O)N(C)[C@H](C)c2cccs2)ccc1[O-] ZINC000268119197 190378164 /nfs/dbraw/zinc/37/81/64/190378164.db2.gz BGKSFLDIMRQXCM-SNVBAGLBSA-N -1 3 291.372 3.296 20 0 CGADHM CN(CC[C@@H]1CCCO1)Cc1cccc([O-])c1Cl ZINC000353122898 380125685 /nfs/dbraw/zinc/12/56/85/380125685.db2.gz HMFKRBAYQFKVGW-LBPRGKRZSA-N -1 3 269.772 3.047 20 0 CGADHM CCc1nc(COc2cc3occ([O-])c3c(C)c2)cs1 ZINC000642609497 380179470 /nfs/dbraw/zinc/17/94/70/380179470.db2.gz LMFBRRVBMDMOKF-UHFFFAOYSA-N -1 3 289.356 3.168 20 0 CGADHM C[C@H]1CCC[C@]1(C)C(=O)Nc1ccc([O-])cc1F ZINC000334679201 206901213 /nfs/dbraw/zinc/90/12/13/206901213.db2.gz LKAIXXVOOPIMQJ-XPTSAGLGSA-N -1 3 251.301 3.296 20 0 CGADHM CO[C@@](C)([C@H](C)NCc1cccc([O-])c1Cl)C1CC1 ZINC000414500515 380275926 /nfs/dbraw/zinc/27/59/26/380275926.db2.gz LVYKFFHGEDWDJP-BONVTDFDSA-N -1 3 283.799 3.339 20 0 CGADHM Cc1cc(C)c(-c2cc(=NC(=O)[C@H]3CC34CC4)[nH][n-]2)cc1C ZINC000643369643 380300829 /nfs/dbraw/zinc/30/08/29/380300829.db2.gz HHNMHZCYFULMQM-CQSZACIVSA-N -1 3 295.386 3.162 20 0 CGADHM CCC[C@@H]1SCCN1C(=O)c1cc([O-])ccc1Cl ZINC000354400731 380425481 /nfs/dbraw/zinc/42/54/81/380425481.db2.gz MVAAIALOGYQLSO-LBPRGKRZSA-N -1 3 285.796 3.361 20 0 CGADHM Cc1ccc([O-])c(C(=O)NCc2cnc3ccccc3c2)c1 ZINC000354449545 380442764 /nfs/dbraw/zinc/44/27/64/380442764.db2.gz AAVIOHYYFXMUPP-UHFFFAOYSA-N -1 3 292.338 3.179 20 0 CGADHM CC[C@H](C)C[C@@H](C)NC(=O)c1c[n-]nc1-c1ccccn1 ZINC000354503773 380462311 /nfs/dbraw/zinc/46/23/11/380462311.db2.gz GWONEKHWFRSYFT-NWDGAFQWSA-N -1 3 286.379 3.026 20 0 CGADHM Cc1cc(F)c(CNCC[C@@H](C)CC(=O)[O-])c(Cl)c1 ZINC000417567016 380639899 /nfs/dbraw/zinc/63/98/99/380639899.db2.gz ODARCYNLLIYDIT-SECBINFHSA-N -1 3 287.762 3.378 20 0 CGADHM CC(C)c1cnc(CN[C@@H]2CCCC[C@@]2(C)C(=O)[O-])s1 ZINC000417572760 380642154 /nfs/dbraw/zinc/64/21/54/380642154.db2.gz GMJNLCRKWAFNTL-IUODEOHRSA-N -1 3 296.436 3.390 20 0 CGADHM CC(C)(C)C[C@H](CC(=O)[O-])NCc1csc(C2CC2)n1 ZINC000417587142 380645684 /nfs/dbraw/zinc/64/56/84/380645684.db2.gz NPJJSTPILOFGPT-NSHDSACASA-N -1 3 296.436 3.390 20 0 CGADHM Cc1ccc(CCNCc2cccc([O-])c2Cl)cn1 ZINC000645155166 380597792 /nfs/dbraw/zinc/59/77/92/380597792.db2.gz HLGKYQLHIMYXQP-UHFFFAOYSA-N -1 3 276.767 3.081 20 0 CGADHM CSc1ccccc1CN(C)Cc1nc(C)ccc1[O-] ZINC000355222956 380624988 /nfs/dbraw/zinc/62/49/88/380624988.db2.gz PGJJDTPPWTZOFX-UHFFFAOYSA-N -1 3 288.416 3.450 20 0 CGADHM COc1ccc(CN[C@@H](CC2CCC2)C(=O)[O-])c(Cl)c1 ZINC000417697340 380666738 /nfs/dbraw/zinc/66/67/38/380666738.db2.gz DOPRPIRXDBLBST-AWEZNQCLSA-N -1 3 297.782 3.082 20 0 CGADHM O=C([O-])[C@H]1C[C@H](NCc2cccs2)c2ccccc21 ZINC000417611079 380650052 /nfs/dbraw/zinc/65/00/52/380650052.db2.gz AIAWYASDFCWIOA-KBPBESRZSA-N -1 3 273.357 3.151 20 0 CGADHM C[C@@H](C(=O)[O-])[C@H](C)NCc1ccc(Oc2ccccc2)o1 ZINC000417616000 380651752 /nfs/dbraw/zinc/65/17/52/380651752.db2.gz UTNMIVMFJHDLSI-NEPJUHHUSA-N -1 3 289.331 3.271 20 0 CGADHM O=C(Nc1ccc(Cl)cc1[O-])[C@H]1CCCSC1 ZINC000355349394 380652116 /nfs/dbraw/zinc/65/21/16/380652116.db2.gz ABPVIGVEYKJDHP-QMMMGPOBSA-N -1 3 271.769 3.127 20 0 CGADHM C[C@@H](CC(C)(C)NCc1ncc(C(C)(C)C)s1)C(=O)[O-] ZINC000417632007 380658429 /nfs/dbraw/zinc/65/84/29/380658429.db2.gz FSVRZMZMSAIDGI-JTQLQIEISA-N -1 3 298.452 3.420 20 0 CGADHM CC[C@@H](CCNCc1cc(Cl)ccc1F)C(=O)[O-] ZINC000417644522 380660604 /nfs/dbraw/zinc/66/06/04/380660604.db2.gz CHJVTPSRAFYXAU-VIFPVBQESA-N -1 3 273.735 3.070 20 0 CGADHM CN(Cc1cccs1)C(=O)Cc1ccc([O-])cc1Cl ZINC000357174781 381052881 /nfs/dbraw/zinc/05/28/81/381052881.db2.gz NTJLJVWDIVZDIZ-UHFFFAOYSA-N -1 3 295.791 3.308 20 0 CGADHM CCC[C@H](C)N(C)C(=O)Cc1ccc([O-])cc1Cl ZINC000357248050 381082238 /nfs/dbraw/zinc/08/22/38/381082238.db2.gz QZELYYZHKLHAQQ-JTQLQIEISA-N -1 3 269.772 3.235 20 0 CGADHM C[C@@H]1[C@H](Cc2ccccc2)CCN1C(=O)c1cccc([O-])c1 ZINC000357311028 381101820 /nfs/dbraw/zinc/10/18/20/381101820.db2.gz UYASRBYRFUPLLF-ZBFHGGJFSA-N -1 3 295.382 3.486 20 0 CGADHM CC(C)CC[C@@H]1CCCN1C(=O)c1cccc([O-])c1 ZINC000357444042 381161310 /nfs/dbraw/zinc/16/13/10/381161310.db2.gz SRYZYBHQTMIXJD-AWEZNQCLSA-N -1 3 261.365 3.433 20 0 CGADHM Cc1ccc(CC[C@@H](C)NC(=O)c2cccc([O-])c2)o1 ZINC000357374610 381133209 /nfs/dbraw/zinc/13/32/09/381133209.db2.gz NUWMEIOLYWYRGF-LLVKDONJSA-N -1 3 273.332 3.045 20 0 CGADHM CC[C@H](NC(=O)c1c[n-]c2ccccc2c1=O)C(C)(C)C ZINC000357475297 381173474 /nfs/dbraw/zinc/17/34/74/381173474.db2.gz NBQGHRHFWVCTNB-AWEZNQCLSA-N -1 3 286.375 3.083 20 0 CGADHM C[C@H](c1ccccc1)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000227031185 542292350 /nfs/dbraw/zinc/29/23/50/542292350.db2.gz HADJTKXVSQUFHS-DYVFJYSZSA-N -1 3 281.355 3.432 20 0 CGADHM CCc1cc(C(=O)N(C)[C@H](C)CCSC)ccc1[O-] ZINC000362805874 382121947 /nfs/dbraw/zinc/12/19/47/382121947.db2.gz NAFGQDGBDWQQID-LLVKDONJSA-N -1 3 281.421 3.168 20 0 CGADHM O=C(N[C@H]1CCCC(F)(F)C1)c1cc([O-])ccc1Cl ZINC000334960305 207362231 /nfs/dbraw/zinc/36/22/31/207362231.db2.gz MBYSTKYMOXNIPV-QMMMGPOBSA-N -1 3 289.709 3.353 20 0 CGADHM CC(=O)Nc1ccc(F)c([N-]C(=O)c2sccc2F)c1 ZINC000335187794 207873554 /nfs/dbraw/zinc/87/35/54/207873554.db2.gz SPDUVLPAZJZCSW-UHFFFAOYSA-N -1 3 296.298 3.237 20 0 CGADHM O=C([N-]c1ccsc1Cl)c1ncoc1[C@@H]1CCCO1 ZINC000335386242 208334840 /nfs/dbraw/zinc/33/48/40/208334840.db2.gz UELSCGBIYYUKLB-QMMMGPOBSA-N -1 3 298.751 3.493 20 0 CGADHM CCCC[C@H](CCC)CNC(=O)c1csc(=O)[n-]1 ZINC000350113522 218988796 /nfs/dbraw/zinc/98/87/96/218988796.db2.gz ILLROOUCRSHTFC-JTQLQIEISA-N -1 3 270.398 3.185 20 0 CGADHM CCCN(CC)C(=O)c1cc([O-])c2ccccc2c1 ZINC000280779751 542382931 /nfs/dbraw/zinc/38/29/31/542382931.db2.gz KFMAJGGQBRWIAH-UHFFFAOYSA-N -1 3 257.333 3.418 20 0 CGADHM C[C@@H]1C[C@H](c2ccccc2)N(C(=O)c2ccc(O)cc2[O-])C1 ZINC000286539778 542394274 /nfs/dbraw/zinc/39/42/74/542394274.db2.gz IRPOZDFZHVQARF-MLGOLLRUSA-N -1 3 297.354 3.321 20 0 CGADHM Cc1nc2cc(NC(=O)c3ccc([O-])c(C)c3)ccc2o1 ZINC000353880938 220384315 /nfs/dbraw/zinc/38/43/15/220384315.db2.gz LSMCYHRVYFIRIE-UHFFFAOYSA-N -1 3 282.299 3.403 20 0 CGADHM CC(F)(F)C(=O)[N-][C@@H]1CCc2cc(Cl)ccc21 ZINC000288509000 197098303 /nfs/dbraw/zinc/09/83/03/197098303.db2.gz INVPHQLPEHVYNG-SNVBAGLBSA-N -1 3 259.683 3.099 20 0 CGADHM COCCCO[N-]C(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000288115566 197007656 /nfs/dbraw/zinc/00/76/56/197007656.db2.gz LTOZWVSVENFHFW-SJORKVTESA-N -1 3 299.370 3.028 20 0 CGADHM CC(C)C[C@@H](C)CN1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000312165626 542432933 /nfs/dbraw/zinc/43/29/33/542432933.db2.gz CEHWVGNRQZKDKL-CJNGLKHVSA-N -1 3 275.392 3.353 20 0 CGADHM CN(C(=O)c1cc([O-])c2ccccc2c1)[C@@H]1CCSC1 ZINC000334603165 542458705 /nfs/dbraw/zinc/45/87/05/542458705.db2.gz AFCBNFIJHCKGQZ-CYBMUJFWSA-N -1 3 287.384 3.123 20 0 CGADHM CO[C@@H]1CCN(C(=O)c2cc([O-])c3ccccc3c2)C[C@H]1C ZINC000334905958 542462938 /nfs/dbraw/zinc/46/29/38/542462938.db2.gz JKEVPHIKOOBXPK-SJKOYZFVSA-N -1 3 299.370 3.042 20 0 CGADHM COc1ccc(NC(=O)c2ccc3oc(C)nc3c2)c([O-])c1 ZINC000352066067 542552666 /nfs/dbraw/zinc/55/26/66/542552666.db2.gz SZVKVYQEAJNOTR-UHFFFAOYSA-N -1 3 298.298 3.103 20 0 CGADHM COc1ccc(NC(=O)[C@H](C)Cc2ccccc2)c([O-])c1 ZINC000356835005 542573143 /nfs/dbraw/zinc/57/31/43/542573143.db2.gz KQFRLZNCCXLHES-GFCCVEGCSA-N -1 3 285.343 3.218 20 0 CGADHM CC(C)=CCCNC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000281514939 195271639 /nfs/dbraw/zinc/27/16/39/195271639.db2.gz GYXDMASSQVUKNB-UHFFFAOYSA-N -1 3 287.281 3.497 20 0 CGADHM CC[C@H]1CN(C(=O)c2ccc(C(C)C)cc2[O-])CCCO1 ZINC000281572559 195293245 /nfs/dbraw/zinc/29/32/45/195293245.db2.gz LLZDZAVMVXGAKX-AWEZNQCLSA-N -1 3 291.391 3.157 20 0 CGADHM CSCCON=C([O-])Nc1ccc(OC(C)C)c(C)c1 ZINC000281580724 195296457 /nfs/dbraw/zinc/29/64/57/195296457.db2.gz ZOZRGXIHJUKBSZ-UHFFFAOYSA-N -1 3 298.408 3.198 20 0 CGADHM CSCCO[N-]C(=O)Nc1ccc(OC(C)C)c(C)c1 ZINC000281580724 195296459 /nfs/dbraw/zinc/29/64/59/195296459.db2.gz ZOZRGXIHJUKBSZ-UHFFFAOYSA-N -1 3 298.408 3.198 20 0 CGADHM [O-]c1ccc(F)c(CN2CC[C@@H]3CCC[C@@H]32)c1F ZINC000352990252 285384692 /nfs/dbraw/zinc/38/46/92/285384692.db2.gz TTZBPBBNKFYUCD-CABZTGNLSA-N -1 3 253.292 3.045 20 0 CGADHM CO[C@](C)(C(=O)Nc1ccc([O-])cc1F)c1ccccc1 ZINC000358149224 533326752 /nfs/dbraw/zinc/32/67/52/533326752.db2.gz LFPTVNLSUGSONV-INIZCTEOSA-N -1 3 289.306 3.032 20 0 CGADHM COc1cc(-c2noc(-c3ccccc3)n2)ccc1[O-] ZINC000436786419 533456576 /nfs/dbraw/zinc/45/65/76/533456576.db2.gz RYYQEJCOPBVAGC-UHFFFAOYSA-N -1 3 268.272 3.118 20 0 CGADHM C[C@@H](CC(F)F)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000412219325 533491915 /nfs/dbraw/zinc/49/19/15/533491915.db2.gz TUVBMDUTOBLXCS-LURJTMIESA-N -1 3 263.671 3.275 20 0 CGADHM COc1cccc(CN[C@H](C(=O)[O-])c2cc(C)cc(C)c2)c1 ZINC000426756184 533515408 /nfs/dbraw/zinc/51/54/08/533515408.db2.gz ILPRZZROTSLCRI-KRWDZBQOSA-N -1 3 299.370 3.228 20 0 CGADHM COc1cccc(F)c1[C@H](C)NC(=O)c1ccccc1[O-] ZINC000174481195 533572342 /nfs/dbraw/zinc/57/23/42/533572342.db2.gz VEOADSWOHHWTIV-JTQLQIEISA-N -1 3 289.306 3.031 20 0 CGADHM COc1cccc(C[C@@H](C)NC(=O)c2ccc([O-])c(C)c2)c1 ZINC000436937722 533538932 /nfs/dbraw/zinc/53/89/32/533538932.db2.gz RCCWYCWGMNUYRB-CYBMUJFWSA-N -1 3 299.370 3.070 20 0 CGADHM COc1cc(C(=O)N[C@H](C)c2ccc(C)cc2)ccc1[O-] ZINC000442863086 533552522 /nfs/dbraw/zinc/55/25/22/533552522.db2.gz CBOGUYZHTMBKOQ-GFCCVEGCSA-N -1 3 285.343 3.200 20 0 CGADHM COc1ccc(CN2CCC[C@H](C)[C@H]2C(=O)[O-])c(Cl)c1 ZINC000424273461 533557729 /nfs/dbraw/zinc/55/77/29/533557729.db2.gz SYTRQFNRMFYJMX-HZMBPMFUSA-N -1 3 297.782 3.034 20 0 CGADHM Cc1ccc(C)c(CN(C)C(=O)c2ccccc2[O-])c1 ZINC000436843559 533663983 /nfs/dbraw/zinc/66/39/83/533663983.db2.gz IPOYZOICEKBLJZ-UHFFFAOYSA-N -1 3 269.344 3.281 20 0 CGADHM Cc1cc2sc([N-]C(=O)c3cnns3)nc2c(C)c1 ZINC000047410129 391988593 /nfs/dbraw/zinc/98/85/93/391988593.db2.gz APPQXGPWBIAQFF-UHFFFAOYSA-N -1 3 290.373 3.017 20 0 CGADHM C[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000026874861 391950672 /nfs/dbraw/zinc/95/06/72/391950672.db2.gz MQJMDSYNTSNIOK-DTWKUNHWSA-N -1 3 293.841 3.259 20 0 CGADHM COc1cccc(C(=O)NCc2ccc(Cl)s2)c1[O-] ZINC000070211461 392178295 /nfs/dbraw/zinc/17/82/95/392178295.db2.gz DAKKMFAWHNAVSS-UHFFFAOYSA-N -1 3 297.763 3.046 20 0 CGADHM Cc1c(F)cccc1NC(=O)c1cc(-c2ccco2)[n-]n1 ZINC000362683326 392420455 /nfs/dbraw/zinc/42/04/55/392420455.db2.gz ABLNVMSBFUQLPA-UHFFFAOYSA-N -1 3 285.278 3.370 20 0 CGADHM Cc1c(F)cccc1NC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000362683326 392420461 /nfs/dbraw/zinc/42/04/61/392420461.db2.gz ABLNVMSBFUQLPA-UHFFFAOYSA-N -1 3 285.278 3.370 20 0 CGADHM Cc1csc(CNC(=O)c2cc([O-])c3ccccc3c2)n1 ZINC000471680160 542701208 /nfs/dbraw/zinc/70/12/08/542701208.db2.gz OWLSZAJQIQSMOU-UHFFFAOYSA-N -1 3 298.367 3.240 20 0 CGADHM CC(C)Cc1ccc(CCC(=O)[N-]C2=NCCS2)cc1 ZINC000152188176 392498400 /nfs/dbraw/zinc/49/84/00/392498400.db2.gz ZWDXXIAJHDJHJV-UHFFFAOYSA-N -1 3 290.432 3.037 20 0 CGADHM C[C@@H]1OCCC[C@@H]1C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000330393864 392693007 /nfs/dbraw/zinc/69/30/07/392693007.db2.gz CQURWSKZUHQEDG-AAEUAGOBSA-N -1 3 291.391 3.443 20 0 CGADHM C[C@H]1OCCC[C@H]1C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000330393865 392692707 /nfs/dbraw/zinc/69/27/07/392692707.db2.gz CQURWSKZUHQEDG-DGCLKSJQSA-N -1 3 291.391 3.443 20 0 CGADHM CC1(C(=O)[O-])CCN(Cc2cc3cc(F)ccc3o2)CC1 ZINC000647464231 392727257 /nfs/dbraw/zinc/72/72/57/392727257.db2.gz CULRXMCHWPXRNH-UHFFFAOYSA-N -1 3 291.322 3.259 20 0 CGADHM COCC1(C(=O)Nc2cc(Cl)cc(C)c2[O-])CCCC1 ZINC000457677291 392729983 /nfs/dbraw/zinc/72/99/83/392729983.db2.gz SXYASVFEPRURHF-UHFFFAOYSA-N -1 3 297.782 3.499 20 0 CGADHM Cc1ccc(Cl)c(NC(=O)/C=C/c2cncc([O-])c2)c1 ZINC000182117121 392743000 /nfs/dbraw/zinc/74/30/00/392743000.db2.gz NNECBVMGBJYUCL-HWKANZROSA-N -1 3 288.734 3.401 20 0 CGADHM Cc1ccc2c(c1)N(C(=O)c1cccc([O-])c1)CCC2 ZINC000182422607 392746147 /nfs/dbraw/zinc/74/61/47/392746147.db2.gz SETBWMYXZYGEOT-UHFFFAOYSA-N -1 3 267.328 3.294 20 0 CGADHM C[C@@H](NC(=O)c1cccc([O-])c1)[C@@H](C)c1ccccc1 ZINC000182547659 392746186 /nfs/dbraw/zinc/74/61/86/392746186.db2.gz YEAGKVSUUUZHQB-CHWSQXEVSA-N -1 3 269.344 3.314 20 0 CGADHM CC1(C(=O)[O-])CCN(CCc2c(F)cccc2Cl)CC1 ZINC000647374396 392710123 /nfs/dbraw/zinc/71/01/23/392710123.db2.gz BLFWKQJCFKUWTR-UHFFFAOYSA-N -1 3 299.773 3.208 20 0 CGADHM O=C(Nc1[nH][n-]c2cc(=O)ccc1-2)c1ccc(Cl)s1 ZINC000647801806 392802899 /nfs/dbraw/zinc/80/28/99/392802899.db2.gz VYCVLZNILBMQPR-UHFFFAOYSA-N -1 3 293.735 3.236 20 0 CGADHM C[C@H](CN1CC[C@H](C)[C@H](C(=O)[O-])C1)c1cc(F)cc(F)c1 ZINC000519706905 392885210 /nfs/dbraw/zinc/88/52/10/392885210.db2.gz AUIGSYKMOYUBHQ-FIXISWKDSA-N -1 3 297.345 3.111 20 0 CGADHM Cc1cccc(C(=O)NCc2ccc3ncccc3c2)c1[O-] ZINC000193967593 392890764 /nfs/dbraw/zinc/89/07/64/392890764.db2.gz SVGDPSWVDCCNSR-UHFFFAOYSA-N -1 3 292.338 3.179 20 0 CGADHM CCOc1ccccc1CN(C)C(=O)c1cccc(C)c1[O-] ZINC000194263716 392911182 /nfs/dbraw/zinc/91/11/82/392911182.db2.gz YWGJFOAFLVDWAI-UHFFFAOYSA-N -1 3 299.370 3.372 20 0 CGADHM C[C@H]1CCN([C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)C1 ZINC000516479555 392864425 /nfs/dbraw/zinc/86/44/25/392864425.db2.gz OHPRLVUUGXFQBV-QPUJVOFHSA-N -1 3 288.174 3.461 20 0 CGADHM [O-]c1ccc(CNCc2scnc2C2CC2)cc1F ZINC000487283185 542710995 /nfs/dbraw/zinc/71/09/95/542710995.db2.gz XQEWXJHMLQACJH-UHFFFAOYSA-N -1 3 278.352 3.155 20 0 CGADHM C[C@@H](c1ccco1)N(C(=O)c1ccc(O)cc1[O-])C1CC1 ZINC000194485597 392924712 /nfs/dbraw/zinc/92/47/12/392924712.db2.gz AJCWAMIXCURVBI-JTQLQIEISA-N -1 3 287.315 3.057 20 0 CGADHM [O-]c1cc(F)cc(CNCc2cccc3c2CCCN3)c1 ZINC000415033051 393105007 /nfs/dbraw/zinc/10/50/07/393105007.db2.gz JWQMCIIUXWHBET-UHFFFAOYSA-N -1 3 286.350 3.179 20 0 CGADHM CC(C)[C@H](C)C(=O)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000467709666 393107259 /nfs/dbraw/zinc/10/72/59/393107259.db2.gz YMTQKZLXFPJYJL-VIFPVBQESA-N -1 3 293.317 3.007 20 0 CGADHM O=C(CCCc1ccc([O-])c(F)c1)N1CC[C@@H](C2CC2)C1 ZINC000469088220 393176499 /nfs/dbraw/zinc/17/64/99/393176499.db2.gz WYKATAHANBIKKS-CQSZACIVSA-N -1 3 291.366 3.113 20 0 CGADHM CC(C)C[C@@H](C)NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000468846501 393164648 /nfs/dbraw/zinc/16/46/48/393164648.db2.gz GMAXFHYVYADSKT-GFCCVEGCSA-N -1 3 281.371 3.405 20 0 CGADHM Cc1ccc(NC(=O)c2c[n-]nc2-c2ccncc2)c(F)c1 ZINC000471687220 393291394 /nfs/dbraw/zinc/29/13/94/393291394.db2.gz IKAQKASFHWAQNS-UHFFFAOYSA-N -1 3 296.305 3.172 20 0 CGADHM Cc1ccc(NC(=O)c2cn[n-]c2-c2ccncc2)c(F)c1 ZINC000471687220 393291402 /nfs/dbraw/zinc/29/14/02/393291402.db2.gz IKAQKASFHWAQNS-UHFFFAOYSA-N -1 3 296.305 3.172 20 0 CGADHM O=C(Nc1c([O-])cccc1Cl)[C@H]1CCC(F)(F)C1 ZINC000646488047 393293104 /nfs/dbraw/zinc/29/31/04/393293104.db2.gz VDOVDBUEAXLCKP-ZETCQYMHSA-N -1 3 275.682 3.420 20 0 CGADHM Cc1nc2ccc(C(=O)Nc3ccccc3[O-])cc2o1 ZINC000471789029 393304001 /nfs/dbraw/zinc/30/40/01/393304001.db2.gz CRDORWLWQSPPCK-UHFFFAOYSA-N -1 3 268.272 3.094 20 0 CGADHM O=C(c1ccc2[nH][n-]c(=O)c2c1)N1CCC[C@@H]1C1CCCC1 ZINC000646724318 393313089 /nfs/dbraw/zinc/31/30/89/393313089.db2.gz RMAWSONCOAIQJS-OAHLLOKOSA-N -1 3 299.374 3.063 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2C(C)(C)C)o1 ZINC000416630607 393317576 /nfs/dbraw/zinc/31/75/76/393317576.db2.gz IJKWOTOPTHYFMS-NWDGAFQWSA-N -1 3 285.409 3.081 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCC[C@@H]2C(C)(C)C)o1 ZINC000416630608 393317675 /nfs/dbraw/zinc/31/76/75/393317675.db2.gz IJKWOTOPTHYFMS-RYUDHWBXSA-N -1 3 285.409 3.081 20 0 CGADHM CO[C@@H](CC(C)C)C(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000416205072 393280002 /nfs/dbraw/zinc/28/00/02/393280002.db2.gz REMUMEAPAFNFAL-WFASDCNBSA-N -1 3 291.391 3.294 20 0 CGADHM C[C@H]1CC[C@@H](SCc2cc(=O)[n-]c(C3CC3)n2)C1 ZINC000419583594 393407605 /nfs/dbraw/zinc/40/76/05/393407605.db2.gz HMCNLXQMQZTTAL-JOYOIKCWSA-N -1 3 264.394 3.481 20 0 CGADHM CC(C)(C)c1cnc(CN[C@@H]2CCC[C@]2(C)C(=O)[O-])s1 ZINC000417585677 393351086 /nfs/dbraw/zinc/35/10/86/393351086.db2.gz ZSUYJTYRKGAVHF-BMIGLBTASA-N -1 3 296.436 3.174 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)N1CCCC[C@H]1C1CCC1 ZINC000649196713 393371920 /nfs/dbraw/zinc/37/19/20/393371920.db2.gz UKYPKHSLTALXDM-HNNXBMFYSA-N -1 3 291.366 3.255 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@H]1CCCC[C@@H]1C ZINC000649228239 393376340 /nfs/dbraw/zinc/37/63/40/393376340.db2.gz FTUSEIMSCGMRJZ-JQWIXIFHSA-N -1 3 263.385 3.028 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@H](C)C1CCCC1 ZINC000649231226 393378907 /nfs/dbraw/zinc/37/89/07/393378907.db2.gz LVHPODYQFBLBHX-SNVBAGLBSA-N -1 3 263.385 3.028 20 0 CGADHM CCc1cc(N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)c2ccccc2n1 ZINC000649404599 393413088 /nfs/dbraw/zinc/41/30/88/393413088.db2.gz PEZLKSQGPFFVOE-GXTWGEPZSA-N -1 3 298.386 3.344 20 0 CGADHM O=C([O-])c1cccc(CNCc2cccc3c2CCC3)c1 ZINC000649504806 393460192 /nfs/dbraw/zinc/46/01/92/393460192.db2.gz HODXTFHVRIPDTI-UHFFFAOYSA-N -1 3 281.355 3.163 20 0 CGADHM O=C([O-])[C@@H](CNCc1ccc(F)cc1Cl)CC1CC1 ZINC000649511373 393463291 /nfs/dbraw/zinc/46/32/91/393463291.db2.gz GMOKIXAGEGPDLU-LLVKDONJSA-N -1 3 285.746 3.070 20 0 CGADHM CO[C@@H](CSCc1cc(=O)[n-]c(C2CC2)n1)CC(C)C ZINC000419593178 393409315 /nfs/dbraw/zinc/40/93/15/393409315.db2.gz XDLYQJSDOZARBG-CYBMUJFWSA-N -1 3 296.436 3.354 20 0 CGADHM CC[C@H](C)[C@@H](OC)C(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000356822835 393502145 /nfs/dbraw/zinc/50/21/45/393502145.db2.gz OVNVUBCCOZLGIN-MQIPJXDCSA-N -1 3 291.391 3.294 20 0 CGADHM CCC[C@H]1[C@@H](C)CCCN1C(=O)c1cccc([O-])c1 ZINC000357370987 393509459 /nfs/dbraw/zinc/50/94/59/393509459.db2.gz KIWXOEHBURPBQK-WFASDCNBSA-N -1 3 261.365 3.433 20 0 CGADHM O=C(Cc1ccc([O-])cc1Cl)N[C@H]1CC12CCCC2 ZINC000430245527 393547857 /nfs/dbraw/zinc/54/78/57/393547857.db2.gz SZNNMCNNHZRAJE-ZDUSSCGKSA-N -1 3 279.767 3.037 20 0 CGADHM C[C@H](CC(=O)Nc1ccc([O-])cc1F)c1cccnc1 ZINC000360855774 393599224 /nfs/dbraw/zinc/59/92/24/393599224.db2.gz WZFWRTIEAXMWBQ-SNVBAGLBSA-N -1 3 274.295 3.059 20 0 CGADHM C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc([O-])cc1F ZINC000360859965 393599857 /nfs/dbraw/zinc/59/98/57/393599857.db2.gz OWMXNCJUYDAUNP-VIFPVBQESA-N -1 3 293.269 3.076 20 0 CGADHM CC=Cc1ccc(NC(=O)c2cc(F)cc3[n-]nnc32)cc1 ZINC000489944454 393622324 /nfs/dbraw/zinc/62/23/24/393622324.db2.gz FVEGKJYSQJLCBB-NSCUHMNNSA-N -1 3 296.305 3.382 20 0 CGADHM C/C=C/c1ccc(NC(=O)c2cc(F)cc3nn[n-]c32)cc1 ZINC000489944454 393622326 /nfs/dbraw/zinc/62/23/26/393622326.db2.gz FVEGKJYSQJLCBB-NSCUHMNNSA-N -1 3 296.305 3.382 20 0 CGADHM CC=Cc1ccc(NC(=O)c2cc(F)cc3n[n-]nc32)cc1 ZINC000489944454 393622328 /nfs/dbraw/zinc/62/23/28/393622328.db2.gz FVEGKJYSQJLCBB-NSCUHMNNSA-N -1 3 296.305 3.382 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)/C=C/c2cscn2)c1[O-] ZINC000492249226 393708302 /nfs/dbraw/zinc/70/83/02/393708302.db2.gz PNZKGIYZHUPYQD-NSCUHMNNSA-N -1 3 294.763 3.462 20 0 CGADHM CCCCS[C@@H](C)C(=O)Nc1ccc(OC)cc1[O-] ZINC000443570585 393764125 /nfs/dbraw/zinc/76/41/25/393764125.db2.gz DGWNCIYIZCYPTK-JTQLQIEISA-N -1 3 283.393 3.261 20 0 CGADHM Cc1cc(C(=O)NCCSc2ccccc2)ccc1[O-] ZINC000498508693 393782831 /nfs/dbraw/zinc/78/28/31/393782831.db2.gz HCIKWTHVLIPBQR-UHFFFAOYSA-N -1 3 287.384 3.223 20 0 CGADHM CCc1ccc([O-])c(C(=O)N[C@H](C)c2ccc(OC)cc2)c1 ZINC000500745929 393837344 /nfs/dbraw/zinc/83/73/44/393837344.db2.gz GTBFDSJKFQCLDB-GFCCVEGCSA-N -1 3 299.370 3.454 20 0 CGADHM CCC[C@@H]([N-]S(=O)(=O)c1ccco1)C1CCCCC1 ZINC000445718871 393818768 /nfs/dbraw/zinc/81/87/68/393818768.db2.gz XBLNTASPIJPLIN-CYBMUJFWSA-N -1 3 285.409 3.307 20 0 CGADHM CCC[C@H]1CCC[C@H]1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000448620173 393870326 /nfs/dbraw/zinc/87/03/26/393870326.db2.gz BUKJMOZFJZQHGF-SMDDNHRTSA-N -1 3 299.378 3.022 20 0 CGADHM CCC[C@H]1CCC[C@H]1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000448620173 393870330 /nfs/dbraw/zinc/87/03/30/393870330.db2.gz BUKJMOZFJZQHGF-SMDDNHRTSA-N -1 3 299.378 3.022 20 0 CGADHM COCCN(Cc1cc([O-])cc(F)c1)c1ccccc1 ZINC000449579222 393911508 /nfs/dbraw/zinc/91/15/08/393911508.db2.gz YXAQFGGFQBJVRA-UHFFFAOYSA-N -1 3 275.323 3.184 20 0 CGADHM CCCc1nnc([N-]C(=O)c2c(F)cc(C)cc2F)s1 ZINC000666969583 542830483 /nfs/dbraw/zinc/83/04/83/542830483.db2.gz WCFNFMSZVPXRIN-UHFFFAOYSA-N -1 3 297.330 3.330 20 0 CGADHM CC(=O)c1[n-]c(=NCC2(C(F)(F)F)CCC2)sc1C ZINC000450536030 394011967 /nfs/dbraw/zinc/01/19/67/394011967.db2.gz RTMWKIWMDNXZPU-UHFFFAOYSA-N -1 3 292.326 3.221 20 0 CGADHM CC[C@H]1CCC[C@H]1CNC(=O)Cc1ccc([O-])c(F)c1 ZINC000452527066 394078920 /nfs/dbraw/zinc/07/89/20/394078920.db2.gz LFPVARAIPHWKEX-STQMWFEESA-N -1 3 279.355 3.016 20 0 CGADHM C[C@@H](CC(C)(C)C)NC(=O)c1c[n-]c2ccccc2c1=O ZINC000457235728 394334789 /nfs/dbraw/zinc/33/47/89/394334789.db2.gz ULQBMHKKARQATH-NSHDSACASA-N -1 3 286.375 3.083 20 0 CGADHM Cc1ccc(C(=O)N2CCC[C@H](C)CC2)c([O-])c1C ZINC000436537410 292053962 /nfs/dbraw/zinc/05/39/62/292053962.db2.gz GSIZATANMUMHJA-NSHDSACASA-N -1 3 261.365 3.271 20 0 CGADHM CSc1ccc([O-])c(C(=O)N2CCC[C@@H](C)[C@H]2C)c1 ZINC000669137805 543089002 /nfs/dbraw/zinc/08/90/02/543089002.db2.gz CTNUNAKSAUCTTK-GHMZBOCLSA-N -1 3 279.405 3.375 20 0 CGADHM Cc1conc1[N-]C(=O)c1ccc(C(F)(F)F)s1 ZINC000671780291 543189623 /nfs/dbraw/zinc/18/96/23/543189623.db2.gz KFNILPYMBPCIKL-UHFFFAOYSA-N -1 3 276.239 3.316 20 0 CGADHM CCCCOc1ccc(C(=O)N2CCC[C@H]3C[C@H]32)c([O-])c1 ZINC000672133801 543200383 /nfs/dbraw/zinc/20/03/83/543200383.db2.gz OKLNHNATZRFNJU-SWLSCSKDSA-N -1 3 289.375 3.196 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2nccc3ccccc32)n1 ZINC000672776486 543227517 /nfs/dbraw/zinc/22/75/17/543227517.db2.gz OKTGYSBJKDVVMG-SREVYHEPSA-N -1 3 263.300 3.209 20 0 CGADHM O=C(CCn1cccc1)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000674325153 543281224 /nfs/dbraw/zinc/28/12/24/543281224.db2.gz WBVGNXFFFOCELN-UHFFFAOYSA-N -1 3 298.264 3.241 20 0 CGADHM CC1(C)CC[C@H](c2nc(-c3ccc4n[n-]nc4c3)no2)C1 ZINC000650603457 397879901 /nfs/dbraw/zinc/87/99/01/397879901.db2.gz MVMOFQNYJADXAO-JTQLQIEISA-N -1 3 283.335 3.302 20 0 CGADHM Cc1ccccc1-c1csc([N-]C(=O)c2cnco2)n1 ZINC000677544285 543454469 /nfs/dbraw/zinc/45/44/69/543454469.db2.gz QUMWLJLAGJWIFM-UHFFFAOYSA-N -1 3 285.328 3.359 20 0 CGADHM Cc1cc([N-]C(=O)[C@H](C)Nc2ccc(C3CC3)cc2)on1 ZINC000678478697 543529458 /nfs/dbraw/zinc/52/94/58/543529458.db2.gz NJMNQGCKHOXGPS-NSHDSACASA-N -1 3 285.347 3.300 20 0 CGADHM COc1cc(C(=O)N(C)[C@H]2CCC(C)(C)C2)ccc1[O-] ZINC000335723263 286192650 /nfs/dbraw/zinc/19/26/50/286192650.db2.gz JGXVCQRPALMTFL-LBPRGKRZSA-N -1 3 277.364 3.052 20 0 CGADHM COc1ccc([O-])c(C(=O)N2CCCc3cc(C)ccc32)c1 ZINC000121666179 286337597 /nfs/dbraw/zinc/33/75/97/286337597.db2.gz JTVZUWYMMVLSSI-UHFFFAOYSA-N -1 3 297.354 3.302 20 0 CGADHM O=C(Nc1ccc(Cl)cc1F)c1cccc([O-])c1 ZINC000042203945 286892157 /nfs/dbraw/zinc/89/21/57/286892157.db2.gz IJXCXOHBIWDFRH-UHFFFAOYSA-N -1 3 265.671 3.437 20 0 CGADHM Cc1ccc([O-])c(C(=O)N[C@H](C)Cc2ccsc2)c1 ZINC000048482136 286906423 /nfs/dbraw/zinc/90/64/23/286906423.db2.gz SWCDGUIEQAAKCW-LLVKDONJSA-N -1 3 275.373 3.123 20 0 CGADHM CC(C)c1ccc(C(=O)N(C)Cc2cscn2)c([O-])c1 ZINC000049045396 286916319 /nfs/dbraw/zinc/91/63/19/286916319.db2.gz TUGRPUQRIJKLKK-UHFFFAOYSA-N -1 3 290.388 3.244 20 0 CGADHM [O-]c1ccc(-c2noc(-c3cccc(F)c3F)n2)cc1 ZINC000054209592 286942042 /nfs/dbraw/zinc/94/20/42/286942042.db2.gz ODPAJGMOIQMUHX-UHFFFAOYSA-N -1 3 274.226 3.387 20 0 CGADHM CC[C@@H]1CCC[C@@H]1C(=O)Nc1nnc(-c2ccc(C)o2)[n-]1 ZINC000450144054 287071156 /nfs/dbraw/zinc/07/11/56/287071156.db2.gz YWFPPESMZJYGHC-MNOVXSKESA-N -1 3 288.351 3.138 20 0 CGADHM CC[C@@H]1CCC[C@@H]1C(=O)Nc1nc(-c2ccc(C)o2)n[n-]1 ZINC000450144054 287071160 /nfs/dbraw/zinc/07/11/60/287071160.db2.gz YWFPPESMZJYGHC-MNOVXSKESA-N -1 3 288.351 3.138 20 0 CGADHM CC[C@@H]1CCC[C@@H]1C(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC000450144054 287071162 /nfs/dbraw/zinc/07/11/62/287071162.db2.gz YWFPPESMZJYGHC-MNOVXSKESA-N -1 3 288.351 3.138 20 0 CGADHM C[C@H](c1cc(F)ccc1F)N1CCC[C@H](CC(=O)[O-])C1 ZINC000086756713 287084103 /nfs/dbraw/zinc/08/41/03/287084103.db2.gz OCLZGQGXHXOSAU-GHMZBOCLSA-N -1 3 283.318 3.213 20 0 CGADHM Cc1ccc(NC(=O)CCO[C@H](C)CC(C)C)c([O-])c1 ZINC000088239504 287086132 /nfs/dbraw/zinc/08/61/32/287086132.db2.gz HAQLCLOSQLXXGV-CYBMUJFWSA-N -1 3 279.380 3.480 20 0 CGADHM Cc1ccccc1S(=O)(=O)[N-]c1ccc(F)cc1F ZINC000074931960 165097485 /nfs/dbraw/zinc/09/74/85/165097485.db2.gz LIZXNICYTTWOTD-UHFFFAOYSA-N -1 3 283.299 3.074 20 0 CGADHM CC[C@@H]1CCCN(C(=O)c2cc(OC)ccc2[O-])CC1 ZINC000079053218 165142215 /nfs/dbraw/zinc/14/22/15/165142215.db2.gz DNQBAVDFGITFNA-GFCCVEGCSA-N -1 3 277.364 3.053 20 0 CGADHM CCc1noc(C)c1[N-]C(=O)c1scnc1C1CC1 ZINC000089832984 165218055 /nfs/dbraw/zinc/21/80/55/165218055.db2.gz LGKXWNUOKNMCMQ-UHFFFAOYSA-N -1 3 277.349 3.132 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CCC[C@H]2c2cccc(C)n2)c1 ZINC000092759356 165312910 /nfs/dbraw/zinc/31/29/10/165312910.db2.gz HBURNXXSBJSIDT-INIZCTEOSA-N -1 3 296.370 3.381 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CCC[C@@H]3CCC[C@H]32)c1 ZINC000091682099 287109360 /nfs/dbraw/zinc/10/93/60/287109360.db2.gz RHCBTYIYWQEXMB-DZGCQCFKSA-N -1 3 273.376 3.359 20 0 CGADHM CC(C)c1cc(NC(=O)c2cc3c(cc2[O-])CCCC3)n[nH]1 ZINC000112525764 287142110 /nfs/dbraw/zinc/14/21/10/287142110.db2.gz UWHDQKMEJXOOJV-UHFFFAOYSA-N -1 3 299.374 3.370 20 0 CGADHM Cc1cccc(C(=O)N2CC[C@H](C)C[C@H](C)C2)c1[O-] ZINC000119354966 287168562 /nfs/dbraw/zinc/16/85/62/287168562.db2.gz QWENDZRKBMNXTK-RYUDHWBXSA-N -1 3 261.365 3.209 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CC[C@@H](C)C[C@H](C)C2)c1 ZINC000119406673 287169036 /nfs/dbraw/zinc/16/90/36/287169036.db2.gz BRHKCCGWVHKMIC-OLZOCXBDSA-N -1 3 261.365 3.209 20 0 CGADHM CCOc1ccccc1N(C)C(=O)c1cccc(C)c1[O-] ZINC000121376570 287197438 /nfs/dbraw/zinc/19/74/38/287197438.db2.gz HYEVQQNBOUTEFT-UHFFFAOYSA-N -1 3 285.343 3.376 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)Sc2cccc(F)c2)n1 ZINC000121813074 287203585 /nfs/dbraw/zinc/20/35/85/287203585.db2.gz IFPLURDCXDJTEY-VIFPVBQESA-N -1 3 264.325 3.483 20 0 CGADHM COc1cc(-c2noc(/C=C/c3cccc([O-])c3)n2)ccn1 ZINC000122522180 287210364 /nfs/dbraw/zinc/21/03/64/287210364.db2.gz UVLSFKUJFFGWTB-AATRIKPKSA-N -1 3 295.298 3.016 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2F)cc1 ZINC000007428110 170284571 /nfs/dbraw/zinc/28/45/71/170284571.db2.gz DUBCLFMBSQKVKK-UHFFFAOYSA-N -1 3 279.336 3.243 20 0 CGADHM CCc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2F)cc1 ZINC000008106103 170319230 /nfs/dbraw/zinc/31/92/30/170319230.db2.gz JWFZLGDXOOWONA-UHFFFAOYSA-N -1 3 293.363 3.497 20 0 CGADHM Cc1cccc(C(=O)N2CCCc3cccc([O-])c32)c1F ZINC000125842133 287251929 /nfs/dbraw/zinc/25/19/29/287251929.db2.gz QZPFUIJPYSCWQZ-UHFFFAOYSA-N -1 3 285.318 3.433 20 0 CGADHM Cc1ccc(C(=O)N2CC[C@H]3CCCC[C@H]3C2)c([O-])c1 ZINC000035175089 172028503 /nfs/dbraw/zinc/02/85/03/172028503.db2.gz IWGYXISWBUABDX-KGLIPLIRSA-N -1 3 273.376 3.353 20 0 CGADHM CC[C@H]1CCCCN1Cc1cc(C(=O)[O-])c(C)o1 ZINC000035432251 172200322 /nfs/dbraw/zinc/20/03/22/172200322.db2.gz QPLXCUAZNBAZNU-NSHDSACASA-N -1 3 251.326 3.051 20 0 CGADHM O=C(c1cccc([O-])c1)N1CCC[C@@H]1C1CCCC1 ZINC000045089510 175304965 /nfs/dbraw/zinc/30/49/65/175304965.db2.gz MYYFYEBNFDDEPD-OAHLLOKOSA-N -1 3 259.349 3.187 20 0 CGADHM Cc1cccc(C(=O)Nc2ccc(-c3nnco3)cc2)c1[O-] ZINC000129189106 287326395 /nfs/dbraw/zinc/32/63/95/287326395.db2.gz DBLMEUZTIABSNT-UHFFFAOYSA-N -1 3 295.298 3.003 20 0 CGADHM O=C(Nc1cccc([O-])c1F)c1ccc2ncccc2c1 ZINC000129324060 287328492 /nfs/dbraw/zinc/32/84/92/287328492.db2.gz SRWBYKUKBPULMT-UHFFFAOYSA-N -1 3 282.274 3.332 20 0 CGADHM Cc1ccc(NC(=O)COc2cc(C)ccc2C)c([O-])c1 ZINC000068988414 416489776 /nfs/dbraw/zinc/48/97/76/416489776.db2.gz JRFOMVVEBXVFDH-UHFFFAOYSA-N -1 3 285.343 3.335 20 0 CGADHM Cc1nc(CNC(=O)c2ccc(C(C)C)cc2[O-])cs1 ZINC000048606926 416455659 /nfs/dbraw/zinc/45/56/59/416455659.db2.gz QXYNXYLYFYAORL-UHFFFAOYSA-N -1 3 290.388 3.211 20 0 CGADHM Cc1ccc(CN2CC[C@@H](C(=O)[O-])[C@H](C)C2)c(Cl)c1 ZINC000311610505 416531997 /nfs/dbraw/zinc/53/19/97/416531997.db2.gz QFXBTDBIPICTAE-DGCLKSJQSA-N -1 3 281.783 3.191 20 0 CGADHM C[C@H]1CC[C@H](C(F)(F)F)CN1C(=O)c1ccccc1[O-] ZINC000679531686 543643238 /nfs/dbraw/zinc/64/32/38/543643238.db2.gz YWNAPFKMCAKSNV-UWVGGRQHSA-N -1 3 287.281 3.195 20 0 CGADHM COc1ccc([O-])c(C(=O)N2CCC[C@H]2CC(C)(C)C)c1 ZINC000130190627 287346946 /nfs/dbraw/zinc/34/69/46/287346946.db2.gz UADMLZQUDONILX-LBPRGKRZSA-N -1 3 291.391 3.442 20 0 CGADHM O=C(CCc1ccccc1F)N1CCCc2cccc([O-])c21 ZINC000679318908 543616696 /nfs/dbraw/zinc/61/66/96/543616696.db2.gz KZKRXROBKQZKIR-UHFFFAOYSA-N -1 3 299.345 3.443 20 0 CGADHM Cc1ccc(-c2cc(-c3nc(C4CCC4)no3)n[n-]2)o1 ZINC000680693166 543726253 /nfs/dbraw/zinc/72/62/53/543726253.db2.gz BZHGNIPXWFXXPU-UHFFFAOYSA-N -1 3 270.292 3.296 20 0 CGADHM Cc1ccc(-c2cc(-c3nc(C4CCC4)no3)[n-]n2)o1 ZINC000680693166 543726254 /nfs/dbraw/zinc/72/62/54/543726254.db2.gz BZHGNIPXWFXXPU-UHFFFAOYSA-N -1 3 270.292 3.296 20 0 CGADHM Cc1cc(C(=O)N2CC[C@H](C)c3cccc([O-])c32)c(C)[nH]1 ZINC000681090034 543763689 /nfs/dbraw/zinc/76/36/89/543763689.db2.gz WHBIMZQXMREJES-JTQLQIEISA-N -1 3 284.359 3.491 20 0 CGADHM CCc1ccc(C(=O)N[C@@H](C)c2c(C)noc2C)c([O-])c1 ZINC000682503278 543849354 /nfs/dbraw/zinc/84/93/54/543849354.db2.gz QEVJAUBPATVUDW-VIFPVBQESA-N -1 3 288.347 3.050 20 0 CGADHM Cc1ccc(C(=O)Nc2cc(CO)c(C)cc2C)c([O-])c1 ZINC000682580633 543853302 /nfs/dbraw/zinc/85/33/02/543853302.db2.gz OMXMTGWAEIKNQP-UHFFFAOYSA-N -1 3 285.343 3.062 20 0 CGADHM [O-]c1ccc(-c2noc(-c3coc(C4CCC4)n3)n2)cc1 ZINC000683450436 543915912 /nfs/dbraw/zinc/91/59/12/543915912.db2.gz FYINGDQBFMYCGX-UHFFFAOYSA-N -1 3 283.287 3.365 20 0 CGADHM Cc1nc(C(=O)[N-]c2nc(C(C)(C)C)ns2)sc1C ZINC000683546476 543924093 /nfs/dbraw/zinc/92/40/93/543924093.db2.gz LGXQBMFRWWGUMO-UHFFFAOYSA-N -1 3 296.421 3.161 20 0 CGADHM O=C([N-]c1cc(Cl)c(Cl)cc1F)c1cocn1 ZINC000684942546 544042304 /nfs/dbraw/zinc/04/23/04/544042304.db2.gz MSQBJSDMGCYDKE-UHFFFAOYSA-N -1 3 275.066 3.373 20 0 CGADHM O=C([O-])c1cccnc1CN1CCC[C@@]2(CC=CCC2)C1 ZINC000652415346 418965175 /nfs/dbraw/zinc/96/51/75/418965175.db2.gz LGOOPVHYEYICQV-KRWDZBQOSA-N -1 3 286.375 3.102 20 0 CGADHM CN(Cc1ccc(Cl)cc1Cl)[C@H](C(=O)[O-])C1CC1 ZINC000652374545 418959707 /nfs/dbraw/zinc/95/97/07/418959707.db2.gz VJNJDWBKDQWBIN-LBPRGKRZSA-N -1 3 288.174 3.288 20 0 CGADHM Oc1ccc2c(c1)[C@H]([N-]c1nc(C3CCC3)no1)CC2 ZINC000664451926 418961268 /nfs/dbraw/zinc/96/12/68/418961268.db2.gz OPWDXFXARHVJAM-CYBMUJFWSA-N -1 3 271.320 3.142 20 0 CGADHM CCO[C@H](CC)c1noc(-c2cc(-c3ccco3)n[n-]2)n1 ZINC000665031757 419041687 /nfs/dbraw/zinc/04/16/87/419041687.db2.gz ASKNWCGGDWYKBH-LLVKDONJSA-N -1 3 288.307 3.207 20 0 CGADHM CCO[C@H](CC)c1noc(-c2cc(-c3ccco3)[n-]n2)n1 ZINC000665031757 419041692 /nfs/dbraw/zinc/04/16/92/419041692.db2.gz ASKNWCGGDWYKBH-LLVKDONJSA-N -1 3 288.307 3.207 20 0 CGADHM O=C([O-])[C@@H]1CN(Cc2cccc(Cl)c2F)C[C@H]1C1CC1 ZINC000652515256 418978931 /nfs/dbraw/zinc/97/89/31/418978931.db2.gz VPKUWLPXARKGDA-NWDGAFQWSA-N -1 3 297.757 3.022 20 0 CGADHM C[C@]1(c2cccc(F)c2)CCN(C(=O)c2cccc([O-])c2)C1 ZINC000652617494 418986805 /nfs/dbraw/zinc/98/68/05/418986805.db2.gz JPBOLTNYFQSRAB-SFHVURJKSA-N -1 3 299.345 3.335 20 0 CGADHM CC[C@@H](CC(F)F)CN(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC000659788240 418990436 /nfs/dbraw/zinc/99/04/36/418990436.db2.gz KQLVACFKALZSOT-JTQLQIEISA-N -1 3 289.322 3.399 20 0 CGADHM CCN(C(=O)c1ccc(C(C)C)cc1[O-])[C@@H]1CCCOC1 ZINC000652815579 418993216 /nfs/dbraw/zinc/99/32/16/418993216.db2.gz IWWJQAVUKCSPLC-CQSZACIVSA-N -1 3 291.391 3.157 20 0 CGADHM Cc1oc(C(=O)[O-])cc1CN1CCSC2(CCC2)CC1 ZINC000659796431 418993318 /nfs/dbraw/zinc/99/33/18/418993318.db2.gz YHWOEYQNOSZINV-UHFFFAOYSA-N -1 3 295.404 3.148 20 0 CGADHM Cc1oc(CN(C)C[C@@H]2CCc3ccccc32)cc1C(=O)[O-] ZINC000659803850 418997448 /nfs/dbraw/zinc/99/74/48/418997448.db2.gz OHELXODYMUZCHR-AWEZNQCLSA-N -1 3 299.370 3.448 20 0 CGADHM CC(C)C[C@H](CNCc1ncc(Cl)s1)CC(=O)[O-] ZINC000665352289 419116078 /nfs/dbraw/zinc/11/60/78/419116078.db2.gz CLAJEEKKXZZGGS-VIFPVBQESA-N -1 3 290.816 3.023 20 0 CGADHM CC(C)C[C@H](C)OCCC(=O)Nc1cc(F)ccc1[O-] ZINC000151341725 287511774 /nfs/dbraw/zinc/51/17/74/287511774.db2.gz KEGOQGGAEWMOTM-NSHDSACASA-N -1 3 283.343 3.311 20 0 CGADHM [O-]c1ccc(Cc2nc([C@@H]3CCC[C@@H]4C[C@@H]43)no2)cc1F ZINC000656052367 419137430 /nfs/dbraw/zinc/13/74/30/419137430.db2.gz SVOQAQAOAPWCCW-UTUOFQBUSA-N -1 3 288.322 3.409 20 0 CGADHM Cc1ccc(CN(CCCC(=O)[O-])Cc2ccccc2)cn1 ZINC000656191466 419147615 /nfs/dbraw/zinc/14/76/15/419147615.db2.gz WRDFVRYSZUNLQY-UHFFFAOYSA-N -1 3 298.386 3.257 20 0 CGADHM CCOc1cc(CN2CC=CCC2)cc(Cl)c1[O-] ZINC000656532245 419180511 /nfs/dbraw/zinc/18/05/11/419180511.db2.gz CSRREEBJGGPPBC-UHFFFAOYSA-N -1 3 267.756 3.206 20 0 CGADHM CCc1cccc2cc(CN[C@H]3C=C[C@@H](C(=O)[O-])C3)oc21 ZINC000656566095 419184766 /nfs/dbraw/zinc/18/47/66/419184766.db2.gz DCGGBLVIGWUYRB-KGLIPLIRSA-N -1 3 285.343 3.114 20 0 CGADHM Cc1ccc(CCCNC(C)(C)c2nc(C)cc(=O)[n-]2)cc1 ZINC000660750821 419190074 /nfs/dbraw/zinc/19/00/74/419190074.db2.gz FIKNHVSYGPIYRX-UHFFFAOYSA-N -1 3 299.418 3.257 20 0 CGADHM CC(C)c1ccc2c(c1)CN(CC1(CC(=O)[O-])CC1)CC2 ZINC000656758783 419211210 /nfs/dbraw/zinc/21/12/10/419211210.db2.gz OUCWKJZPTAWXCW-UHFFFAOYSA-N -1 3 287.403 3.423 20 0 CGADHM O=C([O-])c1ccc(CN2CCC[C@H](CCF)C2)c(F)c1 ZINC000656764284 419212098 /nfs/dbraw/zinc/21/20/98/419212098.db2.gz WRKKSDNNQCZBHJ-LLVKDONJSA-N -1 3 283.318 3.096 20 0 CGADHM O=C([O-])[C@@H]1CCN([C@@H]2C=CCCC2)[C@@H]2CCCC[C@H]12 ZINC000656764953 419212628 /nfs/dbraw/zinc/21/26/28/419212628.db2.gz LVUFCVXMNDDBRR-KBUPBQIOSA-N -1 3 263.381 3.060 20 0 CGADHM C[C@H](c1ccc(C(=O)[O-])o1)N1CCC[C@H](CCF)C1 ZINC000656762993 419212739 /nfs/dbraw/zinc/21/27/39/419212739.db2.gz JNULTKWUSKHXAZ-GHMZBOCLSA-N -1 3 269.316 3.110 20 0 CGADHM CC(C)n1cc([C@H](C)NCc2cccc(C(=O)[O-])c2)cn1 ZINC000666574309 419227128 /nfs/dbraw/zinc/22/71/28/419227128.db2.gz JWJOBVSOERVCAZ-LBPRGKRZSA-N -1 3 287.363 3.013 20 0 CGADHM [O-]c1cccnc1CSc1ccc2c(c1)OCCCO2 ZINC000657228067 419232754 /nfs/dbraw/zinc/23/27/54/419232754.db2.gz QQWMBXFGRRXRNG-UHFFFAOYSA-N -1 3 289.356 3.241 20 0 CGADHM Cc1ccncc1CCNCc1cccc([O-])c1Cl ZINC000657588482 419310388 /nfs/dbraw/zinc/31/03/88/419310388.db2.gz IHVRWKUCMDWSBV-UHFFFAOYSA-N -1 3 276.767 3.081 20 0 CGADHM CN(Cc1ccc(C(=O)[O-])cc1F)C[C@H]1CC1(C)C ZINC000663316752 419553321 /nfs/dbraw/zinc/55/33/21/419553321.db2.gz GZVWPGRGVCXDNU-GFCCVEGCSA-N -1 3 265.328 3.002 20 0 CGADHM Cc1cccc([O-])c1NC(=O)c1cccc2c1CCC2 ZINC000192572259 287602093 /nfs/dbraw/zinc/60/20/93/287602093.db2.gz BBFXBAJTDLYIMN-UHFFFAOYSA-N -1 3 267.328 3.442 20 0 CGADHM Cc1ccc(CN(C)C(=O)c2ccc([O-])c(C)c2)cc1 ZINC000226714357 287635687 /nfs/dbraw/zinc/63/56/87/287635687.db2.gz REMCXSNRUAWONJ-UHFFFAOYSA-N -1 3 269.344 3.281 20 0 CGADHM CSCCCCNc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000737180681 572865065 /nfs/dbraw/zinc/86/50/65/572865065.db2.gz BIZIAIDKLJFUHQ-UHFFFAOYSA-N -1 3 297.815 3.075 20 0 CGADHM CSCCCCNc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000737180681 572865068 /nfs/dbraw/zinc/86/50/68/572865068.db2.gz BIZIAIDKLJFUHQ-UHFFFAOYSA-N -1 3 297.815 3.075 20 0 CGADHM Cc1cccc(C(C)(C)CNC(=O)c2cccc([O-])c2)c1 ZINC000182251091 262138016 /nfs/dbraw/zinc/13/80/16/262138016.db2.gz ZQFAWAQNVDHRCC-UHFFFAOYSA-N -1 3 283.371 3.408 20 0 CGADHM CC(C)(CNC(=O)c1ccccc1[O-])c1ccccc1 ZINC000029923131 270026854 /nfs/dbraw/zinc/02/68/54/270026854.db2.gz HNMFCDLZWYLDOO-UHFFFAOYSA-N -1 3 269.344 3.100 20 0 CGADHM COc1cccc([C@@H]2C[C@H]2C(=O)Nc2ccc(C)cc2[O-])c1 ZINC000106902305 270049371 /nfs/dbraw/zinc/04/93/71/270049371.db2.gz YFAVFZMRMRNZEB-LSDHHAIUSA-N -1 3 297.354 3.451 20 0 CGADHM CC(=O)Nc1cccc(C(=O)Nc2c(C)cccc2[O-])c1C ZINC000188839427 270070089 /nfs/dbraw/zinc/07/00/89/270070089.db2.gz HLRJVXRXWQVARK-UHFFFAOYSA-N -1 3 298.342 3.220 20 0 CGADHM CC(C)Cc1noc(CCCc2ccc([O-])c(F)c2)n1 ZINC000519726405 265567724 /nfs/dbraw/zinc/56/77/24/265567724.db2.gz OYUORCLVLLNGKK-UHFFFAOYSA-N -1 3 278.327 3.288 20 0 CGADHM Cc1nc2cc(F)ccc2cc1C(=O)Nc1ncccc1[O-] ZINC000192916173 270078322 /nfs/dbraw/zinc/07/83/22/270078322.db2.gz GYLJDZSOWHBDPV-UHFFFAOYSA-N -1 3 297.289 3.035 20 0 CGADHM Cc1ccc(-c2cc(C(=O)N3CCc4ccccc43)n[n-]2)o1 ZINC000193073320 270078585 /nfs/dbraw/zinc/07/85/85/270078585.db2.gz QDVRSAZBRYKRHQ-UHFFFAOYSA-N -1 3 293.326 3.181 20 0 CGADHM Cc1ccc(-c2cc(C(=O)N3CCc4ccccc43)[n-]n2)o1 ZINC000193073320 270078586 /nfs/dbraw/zinc/07/85/86/270078586.db2.gz QDVRSAZBRYKRHQ-UHFFFAOYSA-N -1 3 293.326 3.181 20 0 CGADHM COc1cccc([C@H](C)C(=O)Nc2ccccc2[O-])c1 ZINC000193607533 270079373 /nfs/dbraw/zinc/07/93/73/270079373.db2.gz PDMNDJAXHGIWBN-NSHDSACASA-N -1 3 271.316 3.143 20 0 CGADHM CC(C)CCC[C@@H](C)NC(=O)c1ccc(O)cc1[O-] ZINC000220051618 270085802 /nfs/dbraw/zinc/08/58/02/270085802.db2.gz ZEOMCDUYYLEZPI-LLVKDONJSA-N -1 3 265.353 3.042 20 0 CGADHM COc1cccc(C(=O)N[C@@H]2CCC[C@@H](C)CC2)c1[O-] ZINC000227535658 270087118 /nfs/dbraw/zinc/08/71/18/270087118.db2.gz ZKBXUDZIXBYOCD-VXGBXAGGSA-N -1 3 277.364 3.099 20 0 CGADHM C[C@@H]1CCN(Cc2ccccc2Cl)[C@@H](C(=O)[O-])C1 ZINC000229301277 270088276 /nfs/dbraw/zinc/08/82/76/270088276.db2.gz OEMXLCCLNVHDST-ZWNOBZJWSA-N -1 3 267.756 3.025 20 0 CGADHM COc1ccc2c(c1)CCC[C@@H]2N(C)Cc1ncccc1[O-] ZINC000515917682 270097277 /nfs/dbraw/zinc/09/72/77/270097277.db2.gz SYOHCYKOQWPJLQ-KRWDZBQOSA-N -1 3 298.386 3.305 20 0 CGADHM C[C@H]1C[C@@H](CCNC(=O)c2csc(=O)[n-]2)CC(C)(C)C1 ZINC000527184070 270126480 /nfs/dbraw/zinc/12/64/80/270126480.db2.gz LQJKMDFVIHZQMP-WDEREUQCSA-N -1 3 296.436 3.431 20 0 CGADHM [O-]c1cccnc1CNCc1ccsc1C(F)(F)F ZINC000527700312 270132661 /nfs/dbraw/zinc/13/26/61/270132661.db2.gz JGFMBBMGVZJOFI-UHFFFAOYSA-N -1 3 288.294 3.157 20 0 CGADHM C[C@@H]1[C@@H](c2nc(-c3ccc([O-])cc3)no2)[C@@H]1C1CC1 ZINC000528156101 270156110 /nfs/dbraw/zinc/15/61/10/270156110.db2.gz MDUKKDTXYRAYRP-AQUOVQTQSA-N -1 3 256.305 3.202 20 0 CGADHM CCN(C(=O)c1cc([O-])cc(Br)c1)C1CCC1 ZINC000528606136 270168878 /nfs/dbraw/zinc/16/88/78/270168878.db2.gz CIXCQCBPTQIVQV-UHFFFAOYSA-N -1 3 298.180 3.169 20 0 CGADHM CC[C@H]1CCN(C(=O)c2cc([O-])cc(Br)c2)C1 ZINC000528814041 270173759 /nfs/dbraw/zinc/17/37/59/270173759.db2.gz NIVIQXJKAQPXKT-VIFPVBQESA-N -1 3 298.180 3.027 20 0 CGADHM CCO[C@@H](C)c1ncc(C(=O)[N-]c2ncsc2C)s1 ZINC000529549695 270184087 /nfs/dbraw/zinc/18/40/87/270184087.db2.gz RCOQAKXASIZFCU-ZETCQYMHSA-N -1 3 297.405 3.258 20 0 CGADHM O=C([O-])CCCCN1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC000530164056 270195249 /nfs/dbraw/zinc/19/52/49/270195249.db2.gz NGTKMQFHWYMUGI-CYBMUJFWSA-N -1 3 297.345 3.399 20 0 CGADHM CCc1ccccc1CCN1CCc2occc2[C@H]1C(=O)[O-] ZINC000530166810 270195421 /nfs/dbraw/zinc/19/54/21/270195421.db2.gz QQUQDWVTELXFJA-KRWDZBQOSA-N -1 3 299.370 3.069 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)[C@@H](C)C(C)C)c1-c1ccccc1F ZINC000530276754 270198143 /nfs/dbraw/zinc/19/81/43/270198143.db2.gz UFPUWACRROOGOK-JTQLQIEISA-N -1 3 289.354 3.177 20 0 CGADHM CC(C)c1ccsc1C(=O)Nc1ncccc1[O-] ZINC000341881294 276063253 /nfs/dbraw/zinc/06/32/53/276063253.db2.gz AMBXCXCNFFEZRO-UHFFFAOYSA-N -1 3 262.334 3.224 20 0 CGADHM CCc1[nH]ccc1C(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000286243685 276656562 /nfs/dbraw/zinc/65/65/62/276656562.db2.gz ZCZDPHOESKZNQG-NSHDSACASA-N -1 3 284.359 3.437 20 0 CGADHM CO[C@H]1CCN(C(=O)c2ccc(C(C)C)cc2[O-])C[C@H]1C ZINC000334912238 277339473 /nfs/dbraw/zinc/33/94/73/277339473.db2.gz UZTXCXXTZADYBY-WBMJQRKESA-N -1 3 291.391 3.013 20 0 CGADHM CC(C)c1ccc(C(=O)N2CCCCCO2)c([O-])c1 ZINC000436891586 278022760 /nfs/dbraw/zinc/02/27/60/278022760.db2.gz HBRPGIDFYQHVLT-UHFFFAOYSA-N -1 3 263.337 3.073 20 0 CGADHM CC(C)c1ccoc1C(=O)[N-]c1ncn(C(C)(C)C)n1 ZINC000341684937 278064418 /nfs/dbraw/zinc/06/44/18/278064418.db2.gz OIWPYHDYPVASEV-UHFFFAOYSA-N -1 3 276.340 3.002 20 0 CGADHM C[C@H](Oc1ccccc1F)C(=O)Nc1ccc([O-])cc1F ZINC000360849695 278302470 /nfs/dbraw/zinc/30/24/70/278302470.db2.gz JYNUREJMZOOQCK-VIFPVBQESA-N -1 3 293.269 3.076 20 0 CGADHM C[C@H]1CCN(C(=O)c2ccc3c(c2[O-])CCCC3)C[C@H]1C ZINC000436989350 278363565 /nfs/dbraw/zinc/36/35/65/278363565.db2.gz QZUXHWMBBJITMM-QWHCGFSZSA-N -1 3 287.403 3.389 20 0 CGADHM CC1=C[C@@H](C)CN(C(=O)c2ccc3c(c2[O-])CCCC3)C1 ZINC000436999771 278504714 /nfs/dbraw/zinc/50/47/14/278504714.db2.gz LSVDLLPECUFWSB-GFCCVEGCSA-N -1 3 285.387 3.309 20 0 CGADHM C[C@@H]1[C@@H](C)[C@H](C)CN1C(=O)c1cc([O-])ccc1Cl ZINC000399572586 288052879 /nfs/dbraw/zinc/05/28/79/288052879.db2.gz PGBLYCFFOVFHDH-KXUCPTDWSA-N -1 3 267.756 3.162 20 0 CGADHM C[C@@H]1CCN(C(=O)c2cc(C3CC3)no2)c2c([O-])cccc21 ZINC000282163346 278539647 /nfs/dbraw/zinc/53/96/47/278539647.db2.gz DMNWKWDRZYTLPW-SNVBAGLBSA-N -1 3 298.342 3.412 20 0 CGADHM O=c1cc(CN2CC[C@H](C3CC3)C2)nc(-c2ccccc2)[n-]1 ZINC000459369773 288084465 /nfs/dbraw/zinc/08/44/65/288084465.db2.gz IAIFOMKKAQRPEX-HNNXBMFYSA-N -1 3 295.386 3.081 20 0 CGADHM Cc1noc(C)c1[N-]C(=O)c1scnc1C(C)(C)C ZINC000266959167 279250694 /nfs/dbraw/zinc/25/06/94/279250694.db2.gz LOXHNWPQJWJMEJ-UHFFFAOYSA-N -1 3 279.365 3.298 20 0 CGADHM C[C@H]1c2cccn2CCN1Cc1c(F)ccc([O-])c1F ZINC000295049043 280133400 /nfs/dbraw/zinc/13/34/00/280133400.db2.gz YZLNCQWTIFLQNF-JTQLQIEISA-N -1 3 278.302 3.049 20 0 CGADHM Cc1cc(-c2nc3cc(F)c(F)cc3c(=O)[n-]2)c(C)o1 ZINC000352312127 280288015 /nfs/dbraw/zinc/28/80/15/280288015.db2.gz CQRIRNDCXMLWBB-UHFFFAOYSA-N -1 3 276.242 3.078 20 0 CGADHM CCC[C@@H](OCC)C(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000529054700 288230827 /nfs/dbraw/zinc/23/08/27/288230827.db2.gz JAHVGOXHVQCYPC-IUODEOHRSA-N -1 3 291.391 3.438 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CCC(F)(F)C[C@H]2C)c1 ZINC000530011263 288284397 /nfs/dbraw/zinc/28/43/97/288284397.db2.gz LZWZIPAUJSWGLA-SNVBAGLBSA-N -1 3 283.318 3.214 20 0 CGADHM Cc1cccc2c1[C@@H](C)C[C@@H]2NCc1cnc(C)[n-]c1=O ZINC000346805223 281303268 /nfs/dbraw/zinc/30/32/68/281303268.db2.gz IAKNOXXVNOMKBC-NHYWBVRUSA-N -1 3 283.375 3.137 20 0 CGADHM CCc1ccc([O-])c(C(=O)N(C)C2Cc3ccccc3C2)c1 ZINC000536689446 288497449 /nfs/dbraw/zinc/49/74/49/288497449.db2.gz RPCBWUNJVWRSQG-UHFFFAOYSA-N -1 3 295.382 3.194 20 0 CGADHM Cc1ccc(C(=O)N(CC2CC2)C(C)C)c([O-])c1C ZINC000536693691 288497804 /nfs/dbraw/zinc/49/78/04/288497804.db2.gz UURUACJJAJNCED-UHFFFAOYSA-N -1 3 261.365 3.270 20 0 CGADHM CC(C)N(CC1CC1)C(=O)Cc1ccc([O-])cc1Cl ZINC000542817797 288773049 /nfs/dbraw/zinc/77/30/49/288773049.db2.gz DEDOWXWEKSHXFZ-UHFFFAOYSA-N -1 3 281.783 3.235 20 0 CGADHM CCc1nc(CN(C)Cc2cc([O-])cc(F)c2)cs1 ZINC000545328582 288888859 /nfs/dbraw/zinc/88/88/59/288888859.db2.gz IUQFVSHOUWUSIP-UHFFFAOYSA-N -1 3 280.368 3.182 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2cccc3cc[nH]c32)c1 ZINC000548145554 288992733 /nfs/dbraw/zinc/99/27/33/288992733.db2.gz GNRILCUWYGWGAY-UHFFFAOYSA-N -1 3 266.300 3.434 20 0 CGADHM CC[C@](C)([N-]S(=O)(=O)c1ccccc1C)C(F)(F)F ZINC000548474328 289007781 /nfs/dbraw/zinc/00/77/81/289007781.db2.gz LRXNTFCQXDQMNT-NSHDSACASA-N -1 3 295.326 3.004 20 0 CGADHM CCc1cccc(C(=O)Nc2cnn([C@@H](C)C3CC3)c2)c1[O-] ZINC000548636414 289014000 /nfs/dbraw/zinc/01/40/00/289014000.db2.gz INRPNILYDNZSIJ-NSHDSACASA-N -1 3 299.374 3.374 20 0 CGADHM Cc1ccccc1CC(C)(C)NC(=O)c1ccccc1[O-] ZINC000551786316 289131471 /nfs/dbraw/zinc/13/14/71/289131471.db2.gz KHLSTMKEQFLBGQ-UHFFFAOYSA-N -1 3 283.371 3.452 20 0 CGADHM CCOc1ccccc1C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000552069085 289159228 /nfs/dbraw/zinc/15/92/28/289159228.db2.gz AXVRMGRBDXCKSV-UHFFFAOYSA-N -1 3 299.326 3.246 20 0 CGADHM Cc1cccc(C(=O)Nc2ccccc2CN(C)C)c1[O-] ZINC000552355382 289183241 /nfs/dbraw/zinc/18/32/41/289183241.db2.gz KTMGNTNFEPRORE-UHFFFAOYSA-N -1 3 284.359 3.015 20 0 CGADHM O=C(CCc1ccccc1O)Nc1c([O-])cccc1Cl ZINC000552431445 289188949 /nfs/dbraw/zinc/18/89/49/289188949.db2.gz KROLHAJFEQJQGH-UHFFFAOYSA-N -1 3 291.734 3.323 20 0 CGADHM CC[C@H]1C[C@H](C(=O)Nc2c([O-])cccc2Cl)CCO1 ZINC000552779904 289198351 /nfs/dbraw/zinc/19/83/51/289198351.db2.gz MJIICALYSHRABM-ZJUUUORDSA-N -1 3 283.755 3.189 20 0 CGADHM CCc1cc(C(=O)Nc2ccc(C(C)=O)cc2)ccc1[O-] ZINC000552916370 289202715 /nfs/dbraw/zinc/20/27/15/289202715.db2.gz LZXDODYXSOWFMY-UHFFFAOYSA-N -1 3 283.327 3.410 20 0 CGADHM CC(C)N(Cc1cccs1)Cc1ncccc1[O-] ZINC000554848719 289313424 /nfs/dbraw/zinc/31/34/24/289313424.db2.gz KIRDJDABCNBAAB-UHFFFAOYSA-N -1 3 262.378 3.259 20 0 CGADHM Cc1csc([C@@H]2CCCCN2Cc2ncccc2[O-])n1 ZINC000554855042 289314140 /nfs/dbraw/zinc/31/41/40/289314140.db2.gz HYDGFHBBIMUTEO-ZDUSSCGKSA-N -1 3 289.404 3.279 20 0 CGADHM CCC[C@@H](CC)S(=O)(=O)[N-]c1ccc(F)cc1OC ZINC000555906870 289364906 /nfs/dbraw/zinc/36/49/06/289364906.db2.gz DFKIPXRIGWCKLA-LLVKDONJSA-N -1 3 289.372 3.155 20 0 CGADHM CCc1cccc(C(=O)Nc2ccc(F)c(OC)c2)c1[O-] ZINC000555972517 289366282 /nfs/dbraw/zinc/36/62/82/289366282.db2.gz SXSVXHFITNYYDA-UHFFFAOYSA-N -1 3 289.306 3.355 20 0 CGADHM CCOc1cccc(C(=O)Nc2cccc(C(C)=O)c2[O-])c1 ZINC000556893732 289419795 /nfs/dbraw/zinc/41/97/95/289419795.db2.gz ZVCQOIPEJMJAGA-UHFFFAOYSA-N -1 3 299.326 3.246 20 0 CGADHM CCc1ccc(CC(=O)Nc2cccc(C(C)=O)c2[O-])cc1 ZINC000556894365 289419874 /nfs/dbraw/zinc/41/98/74/289419874.db2.gz ZTADIFNTECEDQE-UHFFFAOYSA-N -1 3 297.354 3.338 20 0 CGADHM CC[C@@H](CC1CCCC1)C(=O)N=c1cc2ccccn2[n-]1 ZINC000557527742 289444505 /nfs/dbraw/zinc/44/45/05/289444505.db2.gz SQMPRNQNJWZHEO-AWEZNQCLSA-N -1 3 285.391 3.301 20 0 CGADHM CC(C)CC1(C(=O)Nc2cccc([O-])c2F)CC1 ZINC000557683437 289454047 /nfs/dbraw/zinc/45/40/47/289454047.db2.gz GKNQJCDUPZISQT-UHFFFAOYSA-N -1 3 251.301 3.296 20 0 CGADHM CCc1cc(C(=O)N(C)[C@H](C)C(C)(C)C)ccc1[O-] ZINC000558904404 289526885 /nfs/dbraw/zinc/52/68/85/289526885.db2.gz QCHYJLWXYWAQKP-LLVKDONJSA-N -1 3 263.381 3.461 20 0 CGADHM O=C(N=c1cc2ccccn2[n-]1)c1csc2ccccc12 ZINC000561146054 289627053 /nfs/dbraw/zinc/62/70/53/289627053.db2.gz OHNDTQSVKBWYHV-UHFFFAOYSA-N -1 3 293.351 3.223 20 0 CGADHM O=C(/C=C\c1cncc([O-])c1)N1CCCC12CCCCC2 ZINC000492435675 295409391 /nfs/dbraw/zinc/40/93/91/295409391.db2.gz GCBPOLBJMFQMSB-WAYWQWQTSA-N -1 3 286.375 3.126 20 0 CGADHM Cc1cc(C(=O)N(C)[C@H]2CCC[C@@H](C)C2)ccc1[O-] ZINC000227017572 301081433 /nfs/dbraw/zinc/08/14/33/301081433.db2.gz JICZGFHIDAMKHL-RISCZKNCSA-N -1 3 261.365 3.351 20 0 CGADHM Cc1cccc2c(=O)c(C(=O)N3CCCCC[C@@H]3C)c[n-]c12 ZINC000361438316 302051855 /nfs/dbraw/zinc/05/18/55/302051855.db2.gz XKJHPHPTWMGPRY-ZDUSSCGKSA-N -1 3 298.386 3.241 20 0 CGADHM Cn1cccc1[C@H]1CCCCCN1C(=O)c1ccccc1[O-] ZINC000123483132 302977866 /nfs/dbraw/zinc/97/78/66/302977866.db2.gz KIADXZKCWQYEGI-MRXNPFEDSA-N -1 3 298.386 3.488 20 0 CGADHM Cc1ccc(CNC[C@H](CC(C)C)C(=O)[O-])c(Cl)c1 ZINC000583696323 329011422 /nfs/dbraw/zinc/01/14/22/329011422.db2.gz OJMHAHCFLYWPAO-ZDUSSCGKSA-N -1 3 283.799 3.485 20 0 CGADHM O=C(/C=C/SCc1ccco1)Nc1ccccc1[O-] ZINC000152584520 321701934 /nfs/dbraw/zinc/70/19/34/321701934.db2.gz GQEHGWWZLSFIDR-VQHVLOKHSA-N -1 3 275.329 3.371 20 0 CGADHM O=C(c1ccccc1[O-])N1CCc2c(Cl)cccc2C1 ZINC000153390103 321718928 /nfs/dbraw/zinc/71/89/28/321718928.db2.gz RZJVNJBMGHZUCA-UHFFFAOYSA-N -1 3 287.746 3.244 20 0 CGADHM COc1cc(C(=O)Nc2cscc2C)cc(OC)c1[O-] ZINC000164123043 321900793 /nfs/dbraw/zinc/90/07/93/321900793.db2.gz KLPISUNBXBBOFN-UHFFFAOYSA-N -1 3 293.344 3.032 20 0 CGADHM CC1([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)CCC1 ZINC000167432913 321909354 /nfs/dbraw/zinc/90/93/54/321909354.db2.gz FWLCNDQZVLBVOQ-UHFFFAOYSA-N -1 3 294.203 3.214 20 0 CGADHM O=C([O-])[C@H](CCN1Cc2ccccc2C1)c1ccccc1 ZINC000563277740 321987249 /nfs/dbraw/zinc/98/72/49/321987249.db2.gz BKFUKAIDHXXLAF-QGZVFWFLSA-N -1 3 281.355 3.261 20 0 CGADHM Cc1cccc2c1CC[C@H]2NCc1ccc(C(=O)[O-])cc1 ZINC000563688905 322006845 /nfs/dbraw/zinc/00/68/45/322006845.db2.gz ANZNFYCDGAJGHR-QGZVFWFLSA-N -1 3 281.355 3.470 20 0 CGADHM Cc1cccc([C@H](C)NCc2ncccc2[O-])c1C ZINC000563916300 322015175 /nfs/dbraw/zinc/01/51/75/322015175.db2.gz JJRWCCNRUSVDCP-ZDUSSCGKSA-N -1 3 256.349 3.255 20 0 CGADHM CO[C@H](C(=O)Nc1c([O-])cccc1Cl)c1ccccc1 ZINC000564382630 322028996 /nfs/dbraw/zinc/02/89/96/322028996.db2.gz YDEKYMHCCBNYSS-AWEZNQCLSA-N -1 3 291.734 3.372 20 0 CGADHM CC(C)c1cc(C(=O)Nc2c([O-])cccc2Cl)n(C)n1 ZINC000564677100 322039056 /nfs/dbraw/zinc/03/90/56/322039056.db2.gz WWQGORGRSOFRQC-UHFFFAOYSA-N -1 3 293.754 3.155 20 0 CGADHM CCc1noc(C)c1[N-]C(=O)c1ccncc1C(F)(F)F ZINC000565048568 322057076 /nfs/dbraw/zinc/05/70/76/322057076.db2.gz USJOBIJYBCXAAE-UHFFFAOYSA-N -1 3 299.252 3.212 20 0 CGADHM CC(C)CO[C@H](C)C(=O)Nc1c([O-])cccc1Cl ZINC000565202047 322066147 /nfs/dbraw/zinc/06/61/47/322066147.db2.gz YQIQRTZHGUYWRS-SECBINFHSA-N -1 3 271.744 3.045 20 0 CGADHM CC(C)CC[C@H](NC(=O)Cc1cncc([O-])c1)C(C)(C)C ZINC000565216381 322067143 /nfs/dbraw/zinc/06/71/43/322067143.db2.gz XGBVCLVEOJTINV-HNNXBMFYSA-N -1 3 292.423 3.297 20 0 CGADHM CC(C)(C)CC[C@H](NCc1ccc(F)cc1F)C(=O)[O-] ZINC000565693300 322087053 /nfs/dbraw/zinc/08/70/53/322087053.db2.gz ZIOABIPLMRPJAQ-ZDUSSCGKSA-N -1 3 285.334 3.334 20 0 CGADHM C[C@@H]1CCN([C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)C1 ZINC000566359786 322118517 /nfs/dbraw/zinc/11/85/17/322118517.db2.gz YGFIRXKGWKTYJM-PRHODGIISA-N -1 3 288.174 3.461 20 0 CGADHM CC[C@@]1(C)C[C@H]1C(=O)Nc1c([O-])cccc1Cl ZINC000567249144 322156337 /nfs/dbraw/zinc/15/63/37/322156337.db2.gz YUUFEKWSKVXUOO-SDBXPKJASA-N -1 3 253.729 3.420 20 0 CGADHM COc1ccc(CN2CC[C@@H](C)C[C@@H]2C(=O)[O-])cc1Cl ZINC000566567274 322129954 /nfs/dbraw/zinc/12/99/54/322129954.db2.gz YIVKLUZCALYXPT-ZWNOBZJWSA-N -1 3 297.782 3.034 20 0 CGADHM C[C@@H]1CC[C@H](C(=O)[O-])CN1C/C=C\c1ccc(F)c(F)c1 ZINC000567343750 322159746 /nfs/dbraw/zinc/15/97/46/322159746.db2.gz SVMWICXILSTSNH-FIFDWTMUSA-N -1 3 295.329 3.163 20 0 CGADHM O=C(N=c1cc(-c2ccccc2)[n-][nH]1)C1=CCCCCC1 ZINC000567431554 322162802 /nfs/dbraw/zinc/16/28/02/322162802.db2.gz QEYBORDSMMADMI-UHFFFAOYSA-N -1 3 281.359 3.328 20 0 CGADHM C[C@@H]1C[C@H]1CC(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000567974350 322186279 /nfs/dbraw/zinc/18/62/79/322186279.db2.gz QAEBZPHUUGXZDZ-SFYZADRCSA-N -1 3 289.253 3.275 20 0 CGADHM C[C@@H](C1CC1)N(Cc1ccc(C(=O)[O-])cc1F)C1CC1 ZINC000568061678 322190320 /nfs/dbraw/zinc/19/03/20/322190320.db2.gz NMXMNRQVOINUKW-JTQLQIEISA-N -1 3 277.339 3.287 20 0 CGADHM CC(C)C[C@@H](C(=O)[O-])N1CCc2c3ccccc3[nH]c2C1 ZINC000568065627 322191663 /nfs/dbraw/zinc/19/16/63/322191663.db2.gz AUSKDVXKYVHDGI-INIZCTEOSA-N -1 3 286.375 3.025 20 0 CGADHM C[C@H](NC(=O)c1csc(=O)[n-]1)c1ccc(C2CC2)cc1 ZINC000569092194 322234266 /nfs/dbraw/zinc/23/42/66/322234266.db2.gz UMGVQOLBIUSAPD-VIFPVBQESA-N -1 3 288.372 3.217 20 0 CGADHM CCc1ccc([C@@H]2CCCN2Cc2ncccc2[O-])o1 ZINC000569391466 322246043 /nfs/dbraw/zinc/24/60/43/322246043.db2.gz OFFJRJINKGLENF-AWEZNQCLSA-N -1 3 272.348 3.280 20 0 CGADHM CCn1ccc(C(=O)Nc2cc(C(C)(C)C)ccc2[O-])n1 ZINC000569488206 322248588 /nfs/dbraw/zinc/24/85/88/322248588.db2.gz IRINKNBWTNMPIN-UHFFFAOYSA-N -1 3 287.363 3.158 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])C1(c2cccnc2)CC1 ZINC000569874830 322259384 /nfs/dbraw/zinc/25/93/84/322259384.db2.gz MEZXNOLBOLXUGY-UHFFFAOYSA-N -1 3 288.734 3.111 20 0 CGADHM CCc1ccccc1NC(=O)c1[n-]nc2c1cccc2OC ZINC000570362086 322271843 /nfs/dbraw/zinc/27/18/43/322271843.db2.gz HGQABQIHHOKRAE-UHFFFAOYSA-N -1 3 295.342 3.386 20 0 CGADHM CCc1ccccc1NC(=O)c1n[n-]c2c1cccc2OC ZINC000570362086 322271844 /nfs/dbraw/zinc/27/18/44/322271844.db2.gz HGQABQIHHOKRAE-UHFFFAOYSA-N -1 3 295.342 3.386 20 0 CGADHM CCC[C@H](CC)S(=O)(=O)[N-]c1c(C)cccc1O ZINC000571288812 322295071 /nfs/dbraw/zinc/29/50/71/322295071.db2.gz IITZGMZYMSZINF-NSHDSACASA-N -1 3 271.382 3.021 20 0 CGADHM CC1(C)CC[C@@H](CSCc2cc(=O)[n-]c(C3CC3)n2)O1 ZINC000571746547 322306751 /nfs/dbraw/zinc/30/67/51/322306751.db2.gz ZNENBQLFEGYWAM-LBPRGKRZSA-N -1 3 294.420 3.250 20 0 CGADHM CC1(C)C[C@@H]1NC(=O)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000572342364 322332091 /nfs/dbraw/zinc/33/20/91/322332091.db2.gz DRPMQLPYZFWKQF-VIFPVBQESA-N -1 3 295.795 3.320 20 0 CGADHM Cc1ccc(F)c(-c2nc(-c3ccc4n[n-]nc4c3)no2)c1 ZINC000572456854 322338022 /nfs/dbraw/zinc/33/80/22/322338022.db2.gz YASJOTPAKQBQSN-UHFFFAOYSA-N -1 3 295.277 3.122 20 0 CGADHM Cc1cc([C@H]2CCCN2Cc2ccccc2C(=O)[O-])on1 ZINC000584237161 327073133 /nfs/dbraw/zinc/07/31/33/327073133.db2.gz MZAMFZZBOJSXND-CQSZACIVSA-N -1 3 286.331 3.018 20 0 CGADHM CCC[C@@H](C)C[C@@H](NCc1cccc(F)c1F)C(=O)[O-] ZINC000580388349 328800645 /nfs/dbraw/zinc/80/06/45/328800645.db2.gz UXBPOKWPXHOEGP-ZWNOBZJWSA-N -1 3 285.334 3.334 20 0 CGADHM C[C@H]1CCC(=Cc2nc(-c3ccc4n[n-]nc4c3)no2)C1 ZINC000583119068 329313909 /nfs/dbraw/zinc/31/39/09/329313909.db2.gz OBLAVKWVRQWSTG-CBFJXKFUSA-N -1 3 281.319 3.211 20 0 CGADHM C[C@@H]1CCC(=Cc2nc(-c3ccc4n[n-]nc4c3)no2)C1 ZINC000583119070 329313952 /nfs/dbraw/zinc/31/39/52/329313952.db2.gz OBLAVKWVRQWSTG-SBMLRHLQSA-N -1 3 281.319 3.211 20 0 CGADHM O=C(Cc1cccc(F)c1)Nc1c([O-])cccc1Cl ZINC000584427475 329467244 /nfs/dbraw/zinc/46/72/44/329467244.db2.gz XIHFWHKOBLSDMZ-UHFFFAOYSA-N -1 3 279.698 3.366 20 0 CGADHM Cc1ccc(C(=O)N2C[C@H](C)Oc3ccc(C)cc32)c([O-])c1 ZINC000175045245 335171753 /nfs/dbraw/zinc/17/17/53/335171753.db2.gz RCJZFDRSEIEPFY-ZDUSSCGKSA-N -1 3 297.354 3.437 20 0 CGADHM COc1ccc2c(c1)C[C@@H](C)N(Cc1ncccc1[O-])[C@H]2C ZINC000576742486 335242103 /nfs/dbraw/zinc/24/21/03/335242103.db2.gz PYSYMAOVFJSQIY-OLZOCXBDSA-N -1 3 298.386 3.304 20 0 CGADHM C[C@H]1CCCN1Cc1cc(Br)ccc1C(=O)[O-] ZINC000576879967 335259767 /nfs/dbraw/zinc/25/97/67/335259767.db2.gz KRERESBUAYLDAJ-VIFPVBQESA-N -1 3 298.180 3.132 20 0 CGADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@@H]1CCC[C@@H](F)C1 ZINC000576945820 335267789 /nfs/dbraw/zinc/26/77/89/335267789.db2.gz OEQJGWFBJDSACB-CHWSQXEVSA-N -1 3 297.345 3.251 20 0 CGADHM Cc1ccncc1N(C)C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000577318186 335338388 /nfs/dbraw/zinc/33/83/88/335338388.db2.gz FULUGISBDONPHM-UHFFFAOYSA-N -1 3 296.370 3.251 20 0 CGADHM CCc1nc(C)c([C@@H](C)N(C)Cc2ncccc2[O-])s1 ZINC000577324217 335338722 /nfs/dbraw/zinc/33/87/22/335338722.db2.gz KEJQZSZVNQDLAS-LLVKDONJSA-N -1 3 291.420 3.308 20 0 CGADHM CCCC[C@@H](C(=O)[O-])N1CCC[C@H]1c1ccc(C)o1 ZINC000577521691 335364355 /nfs/dbraw/zinc/36/43/55/335364355.db2.gz NIHRWRCDGLGDGV-STQMWFEESA-N -1 3 265.353 3.368 20 0 CGADHM O=C(N[C@@H]1CC12CC2)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000577723247 335392296 /nfs/dbraw/zinc/39/22/96/335392296.db2.gz MKPJLXZQNKXYCK-SECBINFHSA-N -1 3 293.779 3.074 20 0 CGADHM CC(C)(C)n1cc(-c2noc(-c3ccccc3[O-])n2)cn1 ZINC000350935871 335550814 /nfs/dbraw/zinc/55/08/14/335550814.db2.gz YYIVYLWCRRHRJX-UHFFFAOYSA-N -1 3 284.319 3.061 20 0 CGADHM CCS[C@H](C)c1noc(Cc2ccc([O-])c(F)c2)n1 ZINC000351083942 335565203 /nfs/dbraw/zinc/56/52/03/335565203.db2.gz AFUQLUUAPXDABR-MRVPVSSYSA-N -1 3 282.340 3.319 20 0 CGADHM O=S(=O)([N-]c1c(F)cccc1Cl)c1cccs1 ZINC000181361412 335759166 /nfs/dbraw/zinc/75/91/66/335759166.db2.gz XDPYIWFUHYAGMJ-UHFFFAOYSA-N -1 3 291.756 3.341 20 0 CGADHM CC1CCN(Cc2cccc(C(=O)[O-])c2Cl)CC1 ZINC000381928806 336078317 /nfs/dbraw/zinc/07/83/17/336078317.db2.gz PEXKCQSWUYAMOL-UHFFFAOYSA-N -1 3 267.756 3.270 20 0 CGADHM O=C([O-])c1cccc2c1CCN(C[C@H]1CCC(F)(F)C1)C2 ZINC000384425745 336124394 /nfs/dbraw/zinc/12/43/94/336124394.db2.gz KOGGNBTUIDGZLF-NSHDSACASA-N -1 3 295.329 3.178 20 0 CGADHM Cc1cc(C(=O)N[C@H]2CC23CCCCC3)ccc1[O-] ZINC000387391060 336193281 /nfs/dbraw/zinc/19/32/81/336193281.db2.gz ZRHPQUJBFIGQCG-AWEZNQCLSA-N -1 3 259.349 3.153 20 0 CGADHM CCO[N-]C(=O)Nc1ccccc1CCC(F)(F)F ZINC000184078749 520238451 /nfs/dbraw/zinc/23/84/51/520238451.db2.gz VHHVLPYKWNUSNG-UHFFFAOYSA-N -1 3 276.258 3.255 20 0 CGADHM C[C@H](CC1CCCCC1)NC(=O)c1c([O-])cccc1O ZINC000436855085 533781771 /nfs/dbraw/zinc/78/17/71/533781771.db2.gz OTASQBLENWPZEL-LLVKDONJSA-N -1 3 277.364 3.187 20 0 CGADHM COC(=O)c1ccc(C(=O)[N-]c2cc(Cl)ccc2F)o1 ZINC000152993097 534040048 /nfs/dbraw/zinc/04/00/48/534040048.db2.gz STWYKXXOATYKGJ-UHFFFAOYSA-N -1 3 297.669 3.111 20 0 CGADHM CCOc1cc(CN2CCOC(C)(C)C2)cc(Cl)c1[O-] ZINC000459328185 535672746 /nfs/dbraw/zinc/67/27/46/535672746.db2.gz OTMOHBJGOZOGKU-UHFFFAOYSA-N -1 3 299.798 3.055 20 0 CGADHM COc1ccc(NC(=O)C[C@@H]2C=CCCC2)c([O-])c1 ZINC000333015017 534090053 /nfs/dbraw/zinc/09/00/53/534090053.db2.gz BXWFYRFZASEOHM-LLVKDONJSA-N -1 3 261.321 3.086 20 0 CGADHM C[C@@H]1N(Cc2cccc([O-])c2Cl)CCC12CCOCC2 ZINC000336033992 534090872 /nfs/dbraw/zinc/09/08/72/534090872.db2.gz YDMHAGQFFRDRRN-LBPRGKRZSA-N -1 3 295.810 3.437 20 0 CGADHM C[C@@H]1CC[C@H](C(=O)Nc2nnc(-c3ccco3)[n-]2)C[C@@H]1C ZINC000448893463 534213484 /nfs/dbraw/zinc/21/34/84/534213484.db2.gz IWXKYYMFPPBLQL-VWYCJHECSA-N -1 3 288.351 3.076 20 0 CGADHM C[C@@H]1CC[C@H](C(=O)Nc2nc(-c3ccco3)n[n-]2)C[C@@H]1C ZINC000448893463 534213487 /nfs/dbraw/zinc/21/34/87/534213487.db2.gz IWXKYYMFPPBLQL-VWYCJHECSA-N -1 3 288.351 3.076 20 0 CGADHM C[C@@H]1CC[C@H](C(=O)Nc2n[n-]c(-c3ccco3)n2)C[C@@H]1C ZINC000448893463 534213493 /nfs/dbraw/zinc/21/34/93/534213493.db2.gz IWXKYYMFPPBLQL-VWYCJHECSA-N -1 3 288.351 3.076 20 0 CGADHM O=C(Nc1cn[nH]c1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436760435 534445746 /nfs/dbraw/zinc/44/57/46/534445746.db2.gz PCLXPUWHKIXOPS-UHFFFAOYSA-N -1 3 295.298 3.160 20 0 CGADHM [O-]c1cc2c(cc1-c1nc(-c3cccnc3)no1)CCCC2 ZINC000436894678 534448102 /nfs/dbraw/zinc/44/81/02/534448102.db2.gz GBFGKFNHSJOPEH-UHFFFAOYSA-N -1 3 293.326 3.383 20 0 CGADHM [O-]c1ccc(-c2noc(/C=C\c3cncc(F)c3)n2)cc1 ZINC000436771178 534452196 /nfs/dbraw/zinc/45/21/96/534452196.db2.gz YDWIATAHMUTLTH-BHQIHCQQSA-N -1 3 283.262 3.147 20 0 CGADHM [O-]c1ccc(-c2noc(C3CC3)n2)c2ccccc12 ZINC000436622445 534452530 /nfs/dbraw/zinc/45/25/30/534452530.db2.gz ZIZNJWBIACPDKH-UHFFFAOYSA-N -1 3 252.273 3.473 20 0 CGADHM CCO[N-]C(=O)Nc1cc(F)c(N2CCCCC2)c(F)c1 ZINC000184320747 520235088 /nfs/dbraw/zinc/23/50/88/520235088.db2.gz GHEMOUSPNTYNHE-UHFFFAOYSA-N -1 3 299.321 3.028 20 0 CGADHM Cc1o[n-]c(=NC(=O)c2cc(C)c(Cl)cc2C)c1C ZINC000334659840 534521232 /nfs/dbraw/zinc/52/12/32/534521232.db2.gz GQCGCDNNZOFPKF-UHFFFAOYSA-N -1 3 278.739 3.236 20 0 CGADHM O=C([O-])[C@H](NCc1ccsc1)c1cccc(Cl)c1 ZINC000426734930 534531734 /nfs/dbraw/zinc/53/17/34/534531734.db2.gz CAMALPQYQKBBFA-GFCCVEGCSA-N -1 3 281.764 3.317 20 0 CGADHM CC[C@H](C)c1cc(C(=O)[N-]c2nc(COC)cs2)on1 ZINC000156108319 522037384 /nfs/dbraw/zinc/03/73/84/522037384.db2.gz WEOYYYPZDOWGDL-QMMMGPOBSA-N -1 3 295.364 3.043 20 0 CGADHM Cc1cccc(C(=O)N[C@H]2C[C@H](c3ccccc3)C2)c1[O-] ZINC000437443197 534623425 /nfs/dbraw/zinc/62/34/25/534623425.db2.gz UQJHNTFIANKVNG-SHTZXODSSA-N -1 3 281.355 3.377 20 0 CGADHM COC[C@@H]([N-]c1noc(-c2ccccc2)n1)c1ccc(C)o1 ZINC000157832958 522383092 /nfs/dbraw/zinc/38/30/92/522383092.db2.gz MADBRSSUTONFQN-CYBMUJFWSA-N -1 3 299.330 3.438 20 0 CGADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1ccc(Cl)cc1F ZINC000155481459 534716060 /nfs/dbraw/zinc/71/60/60/534716060.db2.gz RTLIVXBPSHWQQD-LLVKDONJSA-N -1 3 288.706 3.059 20 0 CGADHM O=C([N-]O[C@@H]1CCCCO1)Nc1ccc(Cl)cc1F ZINC000155481459 534716063 /nfs/dbraw/zinc/71/60/63/534716063.db2.gz RTLIVXBPSHWQQD-LLVKDONJSA-N -1 3 288.706 3.059 20 0 CGADHM Cc1cccc(F)c1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000166123509 534738766 /nfs/dbraw/zinc/73/87/66/534738766.db2.gz FYBNWUHIAMHRFM-UHFFFAOYSA-N -1 3 283.299 3.074 20 0 CGADHM CC[C@H](C)CN(C)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000111254856 523869530 /nfs/dbraw/zinc/86/95/30/523869530.db2.gz DFQFRVYSLYXWHW-NSHDSACASA-N -1 3 299.374 3.147 20 0 CGADHM Cc1csc(-c2noc(-c3cccc(C)c3[O-])n2)n1 ZINC000436928204 534765794 /nfs/dbraw/zinc/76/57/94/534765794.db2.gz QUMWTVVJUJGFSC-UHFFFAOYSA-N -1 3 273.317 3.183 20 0 CGADHM O=C(CCCc1cccs1)[N-]OCc1ccc(F)cc1 ZINC000184185584 526461832 /nfs/dbraw/zinc/46/18/32/526461832.db2.gz NHVPVNHRBADILN-UHFFFAOYSA-N -1 3 293.363 3.458 20 0 CGADHM CC(=O)c1cc(NC(=O)c2cc(C)ccc2[O-])ccc1F ZINC000436857960 527216325 /nfs/dbraw/zinc/21/63/25/527216325.db2.gz RLAPNOPPLKDHGV-UHFFFAOYSA-N -1 3 287.290 3.295 20 0 CGADHM CC(=O)c1ccc(C(=O)N(CC2CCC2)C(C)C)cc1[O-] ZINC000412287975 527236872 /nfs/dbraw/zinc/23/68/72/527236872.db2.gz FRBAVXNQRLCURT-UHFFFAOYSA-N -1 3 289.375 3.246 20 0 CGADHM CC(=O)c1ccc(C(=O)N[C@@H]2CC[C@H](C)C[C@H]2C)cc1[O-] ZINC000412111074 527263368 /nfs/dbraw/zinc/26/33/68/527263368.db2.gz FOOXRDBTKBHWCX-FIXISWKDSA-N -1 3 289.375 3.149 20 0 CGADHM CC(C)C1CCC(N(C)C(=O)c2ccc(O)cc2[O-])CC1 ZINC000436952893 527639668 /nfs/dbraw/zinc/63/96/68/527639668.db2.gz ZTFMKZVAILKMIZ-UHFFFAOYSA-N -1 3 291.391 3.385 20 0 CGADHM CC(C)(C)CCCCNC(=O)Cc1ccc([O-])c(F)c1 ZINC000448906747 527659064 /nfs/dbraw/zinc/65/90/64/527659064.db2.gz FDWNYQRWSZSKAE-UHFFFAOYSA-N -1 3 281.371 3.406 20 0 CGADHM CC(C)NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436722095 527717159 /nfs/dbraw/zinc/71/71/59/527717159.db2.gz NCMRCWBFPISYKA-UHFFFAOYSA-N -1 3 269.344 3.121 20 0 CGADHM CC1(C)Cc2ccc(C(=O)Nc3ccccc3O)c([O-])c2O1 ZINC000436779312 527775430 /nfs/dbraw/zinc/77/54/30/527775430.db2.gz VLYOFMICSDITQB-UHFFFAOYSA-N -1 3 299.326 3.064 20 0 CGADHM CCC[C@H](C)C[C@H](NCc1cc(F)ccc1F)C(=O)[O-] ZINC000426820417 528039220 /nfs/dbraw/zinc/03/92/20/528039220.db2.gz LEIQYKYCALFOIF-HZMBPMFUSA-N -1 3 285.334 3.334 20 0 CGADHM CC1(c2noc(Cc3ccc([O-])cc3Cl)n2)CC1 ZINC000334895799 528067534 /nfs/dbraw/zinc/06/75/34/528067534.db2.gz MXMGLTYHNDNSJS-UHFFFAOYSA-N -1 3 264.712 3.071 20 0 CGADHM CC(C)c1ccc(C(=O)NCC[C@@H]2CCCCO2)c([O-])c1 ZINC000436593725 528069377 /nfs/dbraw/zinc/06/93/77/528069377.db2.gz DHCBDINGAKDEHU-AWEZNQCLSA-N -1 3 291.391 3.205 20 0 CGADHM CC(C)[C@@H](C(=O)[O-])[C@H](C)NCc1cc(Cl)ccc1F ZINC000424613804 528377114 /nfs/dbraw/zinc/37/71/14/528377114.db2.gz BSXWAPZLUFLSLP-TVQRCGJNSA-N -1 3 287.762 3.314 20 0 CGADHM CCCc1cc(C(=O)Nc2ccc(C)cc2[O-])ccn1 ZINC000436905128 528595173 /nfs/dbraw/zinc/59/51/73/528595173.db2.gz ZCQNJWUFYNLALY-UHFFFAOYSA-N -1 3 270.332 3.300 20 0 CGADHM CCN(Cc1occc1C)C(=O)c1cccc(C)c1[O-] ZINC000412800524 528915205 /nfs/dbraw/zinc/91/52/05/528915205.db2.gz VHKPUETYFBZWJT-UHFFFAOYSA-N -1 3 273.332 3.264 20 0 CGADHM CCC1(C(=O)Nc2n[n-]c(-c3ccccc3F)n2)CCC1 ZINC000176132455 529014959 /nfs/dbraw/zinc/01/49/59/529014959.db2.gz DKVLPVDNABVZEY-UHFFFAOYSA-N -1 3 288.326 3.130 20 0 CGADHM CCN(C(=O)c1ccc(OC)cc1[O-])[C@H]1CCCC[C@@H]1C ZINC000171242921 529085735 /nfs/dbraw/zinc/08/57/35/529085735.db2.gz CBEHPWGGWQECFL-WFASDCNBSA-N -1 3 291.391 3.442 20 0 CGADHM CC[C@H]1CCCC[C@@H]1C(=O)N=c1cc(-c2ccncc2)[n-][nH]1 ZINC000359369772 529202769 /nfs/dbraw/zinc/20/27/69/529202769.db2.gz KQDUPFVMWLIMHB-JSGCOSHPSA-N -1 3 298.390 3.049 20 0 CGADHM CCS[C@H]1CCC[C@H](NC(=O)c2ccccc2[O-])C1 ZINC000436727872 529230948 /nfs/dbraw/zinc/23/09/48/529230948.db2.gz DQHUPVKXEATLSU-RYUDHWBXSA-N -1 3 279.405 3.186 20 0 CGADHM CC[C@H](C)[C@@](C)(O)CNC(=O)c1ccc(C(C)C)cc1[O-] ZINC000436951664 529231747 /nfs/dbraw/zinc/23/17/47/529231747.db2.gz ZTEHMJQUINICGQ-SJCJKPOMSA-N -1 3 293.407 3.043 20 0 CGADHM CCc1cc(C(=O)N2CC[C@H](CC(C)C)C2)ccc1[O-] ZINC000486544783 536114332 /nfs/dbraw/zinc/11/43/32/536114332.db2.gz KZVKGSHPBIBWJA-CYBMUJFWSA-N -1 3 275.392 3.463 20 0 CGADHM CC1(C)CCN(Cc2cc(=O)oc3cc([O-])ccc23)CC1 ZINC000726971986 571694701 /nfs/dbraw/zinc/69/47/01/571694701.db2.gz ICERUIYKSLSCPW-UHFFFAOYSA-N -1 3 287.359 3.121 20 0 CGADHM FC(F)(F)c1c[n-]c(=NC[C@H]2CCCCS2)s1 ZINC000357694190 571836946 /nfs/dbraw/zinc/83/69/46/571836946.db2.gz GQTWQHRHFGQFEB-SSDOTTSWSA-N -1 3 282.356 3.281 20 0 CGADHM Cc1ccc2oc(Oc3ccc(-c4nnn[n-]4)cc3)nc2c1 ZINC000737380797 572339658 /nfs/dbraw/zinc/33/96/58/572339658.db2.gz RQFXULYMEFXRRS-UHFFFAOYSA-N -1 3 293.286 3.109 20 0 CGADHM Cc1ccc2oc(Oc3ccc(-c4nn[n-]n4)cc3)nc2c1 ZINC000737380797 572339659 /nfs/dbraw/zinc/33/96/59/572339659.db2.gz RQFXULYMEFXRRS-UHFFFAOYSA-N -1 3 293.286 3.109 20 0 CGADHM Cc1cccc(C)c1CSc1ccc(-c2nnn[n-]2)cn1 ZINC000737389218 572339697 /nfs/dbraw/zinc/33/96/97/572339697.db2.gz HDTMFURJRNGBHP-UHFFFAOYSA-N -1 3 297.387 3.171 20 0 CGADHM Cc1cccc(C)c1CSc1ccc(-c2nn[n-]n2)cn1 ZINC000737389218 572339701 /nfs/dbraw/zinc/33/97/01/572339701.db2.gz HDTMFURJRNGBHP-UHFFFAOYSA-N -1 3 297.387 3.171 20 0 CGADHM Fc1cc(-c2nnn[n-]2)ccc1SC1CCCC1 ZINC000737643132 572360222 /nfs/dbraw/zinc/36/02/22/572360222.db2.gz BHMKMPUUKKRCCJ-UHFFFAOYSA-N -1 3 264.329 3.041 20 0 CGADHM Fc1cc(-c2nn[n-]n2)ccc1SC1CCCC1 ZINC000737643132 572360225 /nfs/dbraw/zinc/36/02/25/572360225.db2.gz BHMKMPUUKKRCCJ-UHFFFAOYSA-N -1 3 264.329 3.041 20 0 CGADHM Cc1cccc2c1CCN([C@@H](C(=O)[O-])c1ccc(F)cc1)C2 ZINC000738748000 572390900 /nfs/dbraw/zinc/39/09/00/572390900.db2.gz NXWDMSJBLJPFPS-QGZVFWFLSA-N -1 3 299.345 3.318 20 0 CGADHM CCc1ccc(/C=C2/C(=O)[N-]C(=O)c3ccccc32)s1 ZINC000731157119 572398367 /nfs/dbraw/zinc/39/83/67/572398367.db2.gz RQAGUXOFNNFJDC-NTEUORMPSA-N -1 3 283.352 3.121 20 0 CGADHM CC[C@@H](c1ccc(F)cc1)N1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000739279012 572407209 /nfs/dbraw/zinc/40/72/09/572407209.db2.gz PRKZTEUXOSQGKR-DOMZBBRYSA-N -1 3 294.370 3.209 20 0 CGADHM C[C@H](NC(=O)[O-])C1CCN([C@@H](C)c2cccc(F)c2)CC1 ZINC000739029628 572407743 /nfs/dbraw/zinc/40/77/43/572407743.db2.gz WBOVOMLLDADXEK-RYUDHWBXSA-N -1 3 294.370 3.255 20 0 CGADHM C[C@@H](NC(=O)[O-])C1CCN([C@@H](C)c2ccc(F)cc2)CC1 ZINC000739030229 572408390 /nfs/dbraw/zinc/40/83/90/572408390.db2.gz YREYUPITSANNKO-NEPJUHHUSA-N -1 3 294.370 3.255 20 0 CGADHM O=C([O-])[C@@H](NC/C=C\c1ccccc1)c1ccc(F)cc1 ZINC000739506412 572418499 /nfs/dbraw/zinc/41/84/99/572418499.db2.gz FWQYPNTVTDNBLO-OUOZUETKSA-N -1 3 285.318 3.254 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2ccc(N(C)C)cc2)c1 ZINC000731604948 572419242 /nfs/dbraw/zinc/41/92/42/572419242.db2.gz RJTSBIQSTCJHOI-UHFFFAOYSA-N -1 3 284.359 3.273 20 0 CGADHM CC(C)C[C@H](C(=O)[N-]C1=NCCS1)c1ccccc1 ZINC000740778294 572457832 /nfs/dbraw/zinc/45/78/32/572457832.db2.gz PPXILPDWGXPXQU-ZDUSSCGKSA-N -1 3 276.405 3.035 20 0 CGADHM Cc1oc(-c2ccsc2)nc1CO[N-]C(=O)C(C)(C)C ZINC000732806068 572484986 /nfs/dbraw/zinc/48/49/86/572484986.db2.gz RZZKUWQUPXSQLA-UHFFFAOYSA-N -1 3 294.376 3.305 20 0 CGADHM CC(C)(C)CCCC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000735602219 572732507 /nfs/dbraw/zinc/73/25/07/572732507.db2.gz BFGVGJOYGHILSS-UHFFFAOYSA-N -1 3 293.396 3.083 20 0 CGADHM CC(C)(C)CCCC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000735602219 572732513 /nfs/dbraw/zinc/73/25/13/572732513.db2.gz BFGVGJOYGHILSS-UHFFFAOYSA-N -1 3 293.396 3.083 20 0 CGADHM C[C@H](OC(=O)c1ccc([O-])cc1O)c1ccc(F)cc1F ZINC000744498524 572760008 /nfs/dbraw/zinc/76/00/08/572760008.db2.gz VKKGCAGMGZUMBF-QMMMGPOBSA-N -1 3 294.253 3.294 20 0 CGADHM O=C(COC(=O)c1cc2ccsc2[n-]1)C1CCCC1 ZINC000744541120 572762535 /nfs/dbraw/zinc/76/25/35/572762535.db2.gz DEQAOQCHVONNKI-UHFFFAOYSA-N -1 3 277.345 3.146 20 0 CGADHM CC1(CNc2c(F)cc(-c3nnn[n-]3)cc2F)CCCC1 ZINC000736217141 572772195 /nfs/dbraw/zinc/77/21/95/572772195.db2.gz RZVCTRUFQPWKFW-UHFFFAOYSA-N -1 3 293.321 3.137 20 0 CGADHM CC1(CNc2c(F)cc(-c3nn[n-]n3)cc2F)CCCC1 ZINC000736217141 572772199 /nfs/dbraw/zinc/77/21/99/572772199.db2.gz RZVCTRUFQPWKFW-UHFFFAOYSA-N -1 3 293.321 3.137 20 0 CGADHM C[C@H]1C[C@H](C)CN(c2ccc(Cl)cc2-c2nnn[n-]2)C1 ZINC000736226040 572773445 /nfs/dbraw/zinc/77/34/45/572773445.db2.gz FKGSPIJQSWBLKN-UWVGGRQHSA-N -1 3 291.786 3.002 20 0 CGADHM C[C@H]1C[C@H](C)CN(c2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC000736226040 572773446 /nfs/dbraw/zinc/77/34/46/572773446.db2.gz FKGSPIJQSWBLKN-UWVGGRQHSA-N -1 3 291.786 3.002 20 0 CGADHM C[C@@H]1C[C@H](C)CN(c2ccc(Cl)cc2-c2nnn[n-]2)C1 ZINC000736225838 572773579 /nfs/dbraw/zinc/77/35/79/572773579.db2.gz FKGSPIJQSWBLKN-AOOOYVTPSA-N -1 3 291.786 3.002 20 0 CGADHM C[C@@H]1C[C@H](C)CN(c2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC000736225838 572773582 /nfs/dbraw/zinc/77/35/82/572773582.db2.gz FKGSPIJQSWBLKN-AOOOYVTPSA-N -1 3 291.786 3.002 20 0 CGADHM C[C@@H]1C[C@@H](C)CN(c2cccc(Cl)c2-c2nnn[n-]2)C1 ZINC000736231749 572774858 /nfs/dbraw/zinc/77/48/58/572774858.db2.gz XLJDLWXOALOQLH-NXEZZACHSA-N -1 3 291.786 3.002 20 0 CGADHM C[C@@H]1C[C@@H](C)CN(c2cccc(Cl)c2-c2nn[n-]n2)C1 ZINC000736231749 572774861 /nfs/dbraw/zinc/77/48/61/572774861.db2.gz XLJDLWXOALOQLH-NXEZZACHSA-N -1 3 291.786 3.002 20 0 CGADHM C[C@@H]1C[C@@H](C)CN(c2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000736228012 572774873 /nfs/dbraw/zinc/77/48/73/572774873.db2.gz NBPADBQHYXNMCJ-NXEZZACHSA-N -1 3 291.786 3.002 20 0 CGADHM C[C@@H]1C[C@@H](C)CN(c2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000736228012 572774878 /nfs/dbraw/zinc/77/48/78/572774878.db2.gz NBPADBQHYXNMCJ-NXEZZACHSA-N -1 3 291.786 3.002 20 0 CGADHM Cc1ccc(C(=O)N[C@@H](c2ccccn2)C(C)C)c([O-])c1 ZINC000736508246 572796961 /nfs/dbraw/zinc/79/69/61/572796961.db2.gz IQNHUBJQQMGDHH-MRXNPFEDSA-N -1 3 284.359 3.223 20 0 CGADHM C[C@H](N[C@H]1CCCN(C(=O)[O-])C1)c1ccccc1Cl ZINC000736661036 572803477 /nfs/dbraw/zinc/80/34/77/572803477.db2.gz CNCRTZSPJBZJHL-QWRGUYRKSA-N -1 3 282.771 3.133 20 0 CGADHM C[C@]1(NCc2occc2C(=O)[O-])CCCc2ccccc21 ZINC000736738266 572807200 /nfs/dbraw/zinc/80/72/00/572807200.db2.gz KSNLDRINPJXNPX-KRWDZBQOSA-N -1 3 285.343 3.319 20 0 CGADHM CC[C@H](N[C@H]1CCCN(C(=O)[O-])C1)c1ccc(F)cc1 ZINC000736920695 572825214 /nfs/dbraw/zinc/82/52/14/572825214.db2.gz YJUAUCUQNJSWNP-KBPBESRZSA-N -1 3 280.343 3.009 20 0 CGADHM C[C@@H]1CN(C(=O)c2cc([O-])c3ccccc3c2)[C@H](C)[C@@H](C)O1 ZINC000356011033 572841789 /nfs/dbraw/zinc/84/17/89/572841789.db2.gz PTPHPFKZXJEHBL-JHJVBQTASA-N -1 3 299.370 3.183 20 0 CGADHM O=C([N-]c1ccccc1SC(F)(F)F)c1ncccn1 ZINC000746192513 572860342 /nfs/dbraw/zinc/86/03/42/572860342.db2.gz MQTYYFTUDMLHCQ-UHFFFAOYSA-N -1 3 299.277 3.341 20 0 CGADHM Cc1cc(C)c(-c2nnn[n-]2)c(S[C@@H](C)C(C)C)n1 ZINC000737239281 572866871 /nfs/dbraw/zinc/86/68/71/572866871.db2.gz CEPRPNRNQLBTSQ-JTQLQIEISA-N -1 3 277.397 3.015 20 0 CGADHM Cc1cc(C)c(-c2nn[n-]n2)c(S[C@@H](C)C(C)C)n1 ZINC000737239281 572866876 /nfs/dbraw/zinc/86/68/76/572866876.db2.gz CEPRPNRNQLBTSQ-JTQLQIEISA-N -1 3 277.397 3.015 20 0 CGADHM CSc1nnc(NC(=O)CCCCCC(C)C)[n-]1 ZINC000747909399 572954756 /nfs/dbraw/zinc/95/47/56/572954756.db2.gz VLKADGQZHPNREA-UHFFFAOYSA-N -1 3 270.402 3.072 20 0 CGADHM CSc1n[n-]c(NC(=O)CCCCCC(C)C)n1 ZINC000747909399 572954758 /nfs/dbraw/zinc/95/47/58/572954758.db2.gz VLKADGQZHPNREA-UHFFFAOYSA-N -1 3 270.402 3.072 20 0 CGADHM CSc1nc(NC(=O)CCCCCC(C)C)n[n-]1 ZINC000747909399 572954760 /nfs/dbraw/zinc/95/47/60/572954760.db2.gz VLKADGQZHPNREA-UHFFFAOYSA-N -1 3 270.402 3.072 20 0 CGADHM Cc1cc(-c2nn[n-]n2)cc(C)c1OCc1ccc(F)cc1 ZINC000822129972 599387343 /nfs/dbraw/zinc/38/73/43/599387343.db2.gz OZBQSZSYGIHIJZ-UHFFFAOYSA-N -1 3 298.321 3.202 20 0 CGADHM C[C@@]1(c2ccccc2)C[C@H]1Nc1ccc(-c2nn[n-]n2)cc1 ZINC000820636892 599038707 /nfs/dbraw/zinc/03/87/07/599038707.db2.gz VKJBOPJWGZRJRZ-WBVHZDCISA-N -1 3 291.358 3.009 20 0 CGADHM CCCc1ccc(NCc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000821143353 607308977 /nfs/dbraw/zinc/30/89/77/607308977.db2.gz SGWQMPUFVDNNFI-UHFFFAOYSA-N -1 3 299.403 3.493 20 0 CGADHM CCCc1ccc(NCc2cc(-c3nn[n-]n3)cs2)cc1 ZINC000821143353 607308978 /nfs/dbraw/zinc/30/89/78/607308978.db2.gz SGWQMPUFVDNNFI-UHFFFAOYSA-N -1 3 299.403 3.493 20 0 CGADHM O=C([O-])C[C@@H]1CCCN(Cc2cscc2Cl)C1 ZINC000821515673 598151502 /nfs/dbraw/zinc/15/15/02/598151502.db2.gz ISASYAZNJBLVQZ-VIFPVBQESA-N -1 3 273.785 3.088 20 0 CGADHM C[C@H](NCc1cccc(C(=O)[O-])c1)c1ccsc1 ZINC000235518150 598192291 /nfs/dbraw/zinc/19/22/91/598192291.db2.gz WZSDFYWSGCDXFX-JTQLQIEISA-N -1 3 261.346 3.297 20 0 CGADHM C[C@H](NCc1cccc(C(=O)[O-])c1)c1cccc(F)c1 ZINC000235517068 598192568 /nfs/dbraw/zinc/19/25/68/598192568.db2.gz HLSLRNYRHLMINU-NSHDSACASA-N -1 3 273.307 3.375 20 0 CGADHM O=C([O-])c1cccc(CN[C@H]2CCc3c2cccc3F)c1 ZINC000821551757 598192578 /nfs/dbraw/zinc/19/25/78/598192578.db2.gz ZJWSKJRHHXFTIN-INIZCTEOSA-N -1 3 285.318 3.301 20 0 CGADHM O=C([O-])c1cccc(CNCc2ccc3cccnc3c2)c1 ZINC000821552245 598194171 /nfs/dbraw/zinc/19/41/71/598194171.db2.gz CMKPWMVNYVERFR-UHFFFAOYSA-N -1 3 292.338 3.223 20 0 CGADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C1CCCCCC1 ZINC000737292538 598296343 /nfs/dbraw/zinc/29/63/43/598296343.db2.gz VBHZKHHNUHKDIM-UHFFFAOYSA-N -1 3 299.378 3.084 20 0 CGADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C1CCCCCC1 ZINC000737292538 598296345 /nfs/dbraw/zinc/29/63/45/598296345.db2.gz VBHZKHHNUHKDIM-UHFFFAOYSA-N -1 3 299.378 3.084 20 0 CGADHM CCCN(C/C=C(\C)C(=O)[O-])Cc1ccccc1F ZINC000829486674 601159846 /nfs/dbraw/zinc/15/98/46/601159846.db2.gz IGIXJXJUFIXOHA-XYOKQWHBSA-N -1 3 265.328 3.069 20 0 CGADHM Clc1ccc(-c2nn[n-]n2)c(NCc2ccsc2)c1 ZINC000095219509 599408671 /nfs/dbraw/zinc/40/86/71/599408671.db2.gz BDITYPGIFBUAQO-UHFFFAOYSA-N -1 3 291.767 3.194 20 0 CGADHM Clc1ccc(-c2nnn[n-]2)c(NCc2ccsc2)c1 ZINC000095219509 599408667 /nfs/dbraw/zinc/40/86/67/599408667.db2.gz BDITYPGIFBUAQO-UHFFFAOYSA-N -1 3 291.767 3.194 20 0 CGADHM Clc1ccc(N[C@@H]2CC=CCC2)c(-c2nnn[n-]2)c1 ZINC000737573019 599443797 /nfs/dbraw/zinc/44/37/97/599443797.db2.gz DCZFRVWAPJUVMP-SNVBAGLBSA-N -1 3 275.743 3.041 20 0 CGADHM Clc1ccc(N[C@@H]2CC=CCC2)c(-c2nn[n-]n2)c1 ZINC000737573019 599443798 /nfs/dbraw/zinc/44/37/98/599443798.db2.gz DCZFRVWAPJUVMP-SNVBAGLBSA-N -1 3 275.743 3.041 20 0 CGADHM Clc1cccc(-c2nnn[n-]2)c1NCc1ccsc1 ZINC000822585905 599475321 /nfs/dbraw/zinc/47/53/21/599475321.db2.gz OITMDBCYPSGXGL-UHFFFAOYSA-N -1 3 291.767 3.194 20 0 CGADHM Clc1cccc(-c2nn[n-]n2)c1NCc1ccsc1 ZINC000822585905 599475324 /nfs/dbraw/zinc/47/53/24/599475324.db2.gz OITMDBCYPSGXGL-UHFFFAOYSA-N -1 3 291.767 3.194 20 0 CGADHM COc1ccccc1C(C)(C)NCc1cccc(C(=O)[O-])c1 ZINC000263376296 600101888 /nfs/dbraw/zinc/10/18/88/600101888.db2.gz AQGYCFIJOJLWEO-UHFFFAOYSA-N -1 3 299.370 3.418 20 0 CGADHM CCc1ccccc1CN[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000737272089 600727920 /nfs/dbraw/zinc/72/79/20/600727920.db2.gz IHKRCQSVLOYOGN-INIZCTEOSA-N -1 3 287.334 3.304 20 0 CGADHM C[C@]1(c2ccccc2)C[C@H]1N[C@@H](C(=O)[O-])c1ccccc1F ZINC000828123659 600755225 /nfs/dbraw/zinc/75/52/25/600755225.db2.gz WZWQTYXSZQZPKN-JFIYKMOQSA-N -1 3 299.345 3.271 20 0 CGADHM C/C(=C\CNC1(c2cccc(C(F)(F)F)c2)CC1)C(=O)[O-] ZINC000825747809 601163440 /nfs/dbraw/zinc/16/34/40/601163440.db2.gz ZBXSGTGQPKQQTB-BJMVGYQFSA-N -1 3 299.292 3.315 20 0 CGADHM C/C(=C\CN1CC=C(c2ccc(Cl)cc2)CC1)C(=O)[O-] ZINC000825734093 601597568 /nfs/dbraw/zinc/59/75/68/601597568.db2.gz HOHMOYJIDSYRJH-WUXMJOGZSA-N -1 3 291.778 3.460 20 0 CGADHM C[C@H](NCC(C)(C)C(=O)[O-])c1ncc(-c2ccccc2)o1 ZINC000827734121 601645211 /nfs/dbraw/zinc/64/52/11/601645211.db2.gz CSAAXBWGSMEGJH-NSHDSACASA-N -1 3 288.347 3.103 20 0 CGADHM COc1ccc(CSc2ccccc2)cc1-c1nnn[n-]1 ZINC000826207890 607541217 /nfs/dbraw/zinc/54/12/17/607541217.db2.gz JMMJBOARNLHISG-UHFFFAOYSA-N -1 3 298.371 3.168 20 0 CGADHM COc1ccc(CSc2ccccc2)cc1-c1nn[n-]n1 ZINC000826207890 607541219 /nfs/dbraw/zinc/54/12/19/607541219.db2.gz JMMJBOARNLHISG-UHFFFAOYSA-N -1 3 298.371 3.168 20 0 CGADHM CSc1ccc(-n2[n-]c(C)c(C(C)C)c2=O)cc1 ZINC000899349160 620654012 /nfs/dbraw/zinc/65/40/12/620654012.db2.gz WMUJDYYQZRPWKG-ZDUSSCGKSA-N -1 3 262.378 3.403 20 0 CGADHM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCC(OC(C)(C)C)CC1 ZINC000827929280 602336852 /nfs/dbraw/zinc/33/68/52/602336852.db2.gz YLIJALWLQULCFT-NSHDSACASA-N -1 3 295.379 3.318 20 0 CGADHM C[C@H]1C[C@@H](N[C@@H]2CCN(C(=O)[O-])C2)c2ccsc2S1 ZINC000829820813 604316708 /nfs/dbraw/zinc/31/67/08/604316708.db2.gz JEPXHENJKRXQEP-IQJOONFLSA-N -1 3 298.433 3.015 20 0 CGADHM COc1ccc(CN(C[C@H](C)C(=O)[O-])C2CC2)c(Cl)c1 ZINC000832314681 604746061 /nfs/dbraw/zinc/74/60/61/604746061.db2.gz MXTOYOJTUJIJKX-JTQLQIEISA-N -1 3 297.782 3.034 20 0 CGADHM Cc1ccc([C@@H](C)N[C@@H](C(=O)[O-])c2cccnc2)cc1C ZINC000832920795 604997824 /nfs/dbraw/zinc/99/78/24/604997824.db2.gz HGLQGNCFXKFRJN-CZUORRHYSA-N -1 3 284.359 3.175 20 0 CGADHM Cc1cc(F)ncc1C=Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000899372099 620679401 /nfs/dbraw/zinc/67/94/01/620679401.db2.gz BYLYXYAXVXSFOK-SNAWJCMRSA-N -1 3 271.295 3.073 20 0 CGADHM CCc1cnccc1[C@H](C)N[C@H](C(=O)[O-])c1ccccc1 ZINC000833674841 605271158 /nfs/dbraw/zinc/27/11/58/605271158.db2.gz VASPKRFDNYKLCQ-LRDDRELGSA-N -1 3 284.359 3.121 20 0 CGADHM CCc1cnccc1[C@H](C)NCc1cccc(C(=O)[O-])c1 ZINC000263395882 605271412 /nfs/dbraw/zinc/27/14/12/605271412.db2.gz GMYPMDDJUYYNIN-LBPRGKRZSA-N -1 3 284.359 3.193 20 0 CGADHM Cc1cnc([C@H](C)N[C@H](C)C[C@H]2CCCN2C(=O)[O-])s1 ZINC000830625755 605513341 /nfs/dbraw/zinc/51/33/41/605513341.db2.gz URGCAVYKXJZGQX-ADEWGFFLSA-N -1 3 297.424 3.023 20 0 CGADHM CC[C@@H](C)CSc1ncc(-c2nnn[n-]2)cc1Cl ZINC000820869587 606799306 /nfs/dbraw/zinc/79/93/06/606799306.db2.gz IBSNSFVAXZUJDS-SSDOTTSWSA-N -1 3 283.788 3.053 20 0 CGADHM CC[C@@H](C)CSc1ncc(-c2nn[n-]n2)cc1Cl ZINC000820869587 606799307 /nfs/dbraw/zinc/79/93/07/606799307.db2.gz IBSNSFVAXZUJDS-SSDOTTSWSA-N -1 3 283.788 3.053 20 0 CGADHM FC1(F)CC[C@@H](Nc2cc(Cl)ccc2-c2nnn[n-]2)C1 ZINC000822737260 606881950 /nfs/dbraw/zinc/88/19/50/606881950.db2.gz SBQAOILUKUZHLU-MRVPVSSYSA-N -1 3 299.712 3.120 20 0 CGADHM FC1(F)CC[C@@H](Nc2cc(Cl)ccc2-c2nn[n-]n2)C1 ZINC000822737260 606881952 /nfs/dbraw/zinc/88/19/52/606881952.db2.gz SBQAOILUKUZHLU-MRVPVSSYSA-N -1 3 299.712 3.120 20 0 CGADHM Cc1ccccc1[C@H](C)Sc1ccc(-c2nnn[n-]2)cn1 ZINC000822344904 607161403 /nfs/dbraw/zinc/16/14/03/607161403.db2.gz CQWKYPZMBNLTCZ-NSHDSACASA-N -1 3 297.387 3.423 20 0 CGADHM Cc1ccccc1[C@H](C)Sc1ccc(-c2nn[n-]n2)cn1 ZINC000822344904 607161405 /nfs/dbraw/zinc/16/14/05/607161405.db2.gz CQWKYPZMBNLTCZ-NSHDSACASA-N -1 3 297.387 3.423 20 0 CGADHM C[C@@H](COc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000820286378 607236519 /nfs/dbraw/zinc/23/65/19/607236519.db2.gz ATNYAUHOBMQUCZ-LBPRGKRZSA-N -1 3 280.331 3.049 20 0 CGADHM Cl/C=C\CSc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826349986 607844799 /nfs/dbraw/zinc/84/47/99/607844799.db2.gz CIFVNDASOZUAIS-RJRFIUFISA-N -1 3 287.175 3.365 20 0 CGADHM Cl/C=C\CSc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826349986 607844800 /nfs/dbraw/zinc/84/48/00/607844800.db2.gz CIFVNDASOZUAIS-RJRFIUFISA-N -1 3 287.175 3.365 20 0 CGADHM CCC[C@H](C)N(C)c1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000825232402 608223147 /nfs/dbraw/zinc/22/31/47/608223147.db2.gz GTEOBZCACOWMLZ-NSHDSACASA-N -1 3 296.378 3.040 20 0 CGADHM CCC[C@H](C)N(C)c1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000825232402 608223149 /nfs/dbraw/zinc/22/31/49/608223149.db2.gz GTEOBZCACOWMLZ-NSHDSACASA-N -1 3 296.378 3.040 20 0 CGADHM Cc1ccc(C)c(NCc2cccc(-c3nnn[n-]3)c2F)c1 ZINC000826285324 608478946 /nfs/dbraw/zinc/47/89/46/608478946.db2.gz WHBULHDVNMSLJN-UHFFFAOYSA-N -1 3 297.337 3.235 20 0 CGADHM Cc1ccc(C)c(NCc2cccc(-c3nn[n-]n3)c2F)c1 ZINC000826285324 608478948 /nfs/dbraw/zinc/47/89/48/608478948.db2.gz WHBULHDVNMSLJN-UHFFFAOYSA-N -1 3 297.337 3.235 20 0 CGADHM C[C@H]1c2ccccc2CN1Cc1cc(-c2nnn[n-]2)cs1 ZINC000825029554 608708865 /nfs/dbraw/zinc/70/88/65/608708865.db2.gz WDVQBMLYVVGCBM-JTQLQIEISA-N -1 3 297.387 3.005 20 0 CGADHM C[C@H]1c2ccccc2CN1Cc1cc(-c2nn[n-]n2)cs1 ZINC000825029554 608708870 /nfs/dbraw/zinc/70/88/70/608708870.db2.gz WDVQBMLYVVGCBM-JTQLQIEISA-N -1 3 297.387 3.005 20 0 CGADHM Cc1cnc([C@H](C)Sc2cccc(-c3nnn[n-]3)c2)o1 ZINC000826317979 608886634 /nfs/dbraw/zinc/88/66/34/608886634.db2.gz RNRJOLVSMPROFK-VIFPVBQESA-N -1 3 287.348 3.016 20 0 CGADHM Cc1cnc([C@H](C)Sc2cccc(-c3nn[n-]n3)c2)o1 ZINC000826317979 608886636 /nfs/dbraw/zinc/88/66/36/608886636.db2.gz RNRJOLVSMPROFK-VIFPVBQESA-N -1 3 287.348 3.016 20 0 CGADHM O=C(CCCCC(=O)c1ccccc1)[N-]OC1CCC1 ZINC000812793559 617855666 /nfs/dbraw/zinc/85/56/66/617855666.db2.gz VIWXDPLXOZGERZ-UHFFFAOYSA-N -1 3 275.348 3.030 20 0 CGADHM CC(C)OCCO[N-]C(=O)C[C@H](C)C1CCCCC1 ZINC000812805275 617857551 /nfs/dbraw/zinc/85/75/51/617857551.db2.gz ITYUPURBSCDYAW-ZDUSSCGKSA-N -1 3 271.401 3.066 20 0 CGADHM C/C(=C\C(=O)[N-]O[C@H]1CCCCO1)c1cccc(Cl)c1 ZINC000175989789 618156328 /nfs/dbraw/zinc/15/63/28/618156328.db2.gz YFOHAYFANYRLSL-GDXASINISA-N -1 3 295.766 3.318 20 0 CGADHM O=C([N-]c1noc2c1CCCC2)c1coc(C2CCC2)n1 ZINC000900786326 620812390 /nfs/dbraw/zinc/81/23/90/620812390.db2.gz CCLDZJDPLBPXCE-UHFFFAOYSA-N -1 3 287.319 3.061 20 0 CGADHM Cc1ccc([C@H](C)NC(=O)c2ccccc2[O-])s1 ZINC000042375501 620821610 /nfs/dbraw/zinc/82/16/10/620821610.db2.gz TZINTGPNZUHFLE-JTQLQIEISA-N -1 3 261.346 3.253 20 0 CGADHM Cc1ccc([C@@H](C)NCc2ccoc2C(=O)[O-])cc1 ZINC000235221575 618745248 /nfs/dbraw/zinc/74/52/48/618745248.db2.gz MIMSEMLGJBHPAY-LLVKDONJSA-N -1 3 259.305 3.137 20 0 CGADHM CC[C@@H](C)OC(=O)c1cccc2[n-]c(C(F)F)nc21 ZINC000924079951 618847372 /nfs/dbraw/zinc/84/73/72/618847372.db2.gz ASHYIGKBFLQHJM-SSDOTTSWSA-N -1 3 268.263 3.456 20 0 CGADHM CCCCC[C@H](C)CC(=O)N1CCCc2c(=O)[n-]cnc21 ZINC000893216870 619033359 /nfs/dbraw/zinc/03/33/59/619033359.db2.gz WYEJKOMAUDFIEB-LBPRGKRZSA-N -1 3 291.395 3.068 20 0 CGADHM Cc1ccc(CCCC(=O)[N-]OCCC(F)(F)F)cc1 ZINC000162608927 619116918 /nfs/dbraw/zinc/11/69/18/619116918.db2.gz WGTOPHNQDKEYCW-UHFFFAOYSA-N -1 3 289.297 3.318 20 0 CGADHM CC(C)Cc1coc([N-]C(=O)c2scnc2Cl)n1 ZINC000894442072 619533809 /nfs/dbraw/zinc/53/38/09/619533809.db2.gz KGQLCXVDKGDZAV-UHFFFAOYSA-N -1 3 285.756 3.235 20 0 CGADHM [O-]c1cccc(CN2CC(CC3CCOCC3)C2)c1Cl ZINC000895615314 619859089 /nfs/dbraw/zinc/85/90/89/619859089.db2.gz LXFCKWFYPNDXGW-UHFFFAOYSA-N -1 3 295.810 3.294 20 0 CGADHM CC(C)=CCC[C@@H](C)CC(=O)[N-]OCc1ccccn1 ZINC000909543673 620085898 /nfs/dbraw/zinc/08/58/98/620085898.db2.gz IQHFRIMUUBFFEN-CQSZACIVSA-N -1 3 276.380 3.402 20 0 CGADHM Cc1ccc(C(=O)Nc2ccc3c(c2)CCCN3C)c([O-])c1 ZINC000302982852 620184868 /nfs/dbraw/zinc/18/48/68/620184868.db2.gz FQKHOEQUIYTFHO-UHFFFAOYSA-N -1 3 296.370 3.335 20 0 CGADHM C[C@@H]1C[C@@H](c2cccnc2)N(Cc2cccc(C(=O)[O-])c2)C1 ZINC000263419300 620317691 /nfs/dbraw/zinc/31/76/91/620317691.db2.gz OHJGVGVNTSXAJF-DYVFJYSZSA-N -1 3 296.370 3.363 20 0 CGADHM CC1(C)CCC[C@H](CNCc2c(F)ccc([O-])c2F)O1 ZINC000898049432 620465456 /nfs/dbraw/zinc/46/54/56/620465456.db2.gz ZUKSQOAJKCTVCT-SNVBAGLBSA-N -1 3 285.334 3.108 20 0 CGADHM CCCC[C@H](CC)CC(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000898213104 620488157 /nfs/dbraw/zinc/48/81/57/620488157.db2.gz SUGISBAENDJPMA-STQMWFEESA-N -1 3 293.411 3.038 20 0 CGADHM Cc1cccc(CO[N-]C(=O)CCCC2CCCC2)n1 ZINC000898934679 620610158 /nfs/dbraw/zinc/61/01/58/620610158.db2.gz PZPDSJVSRMFJSQ-UHFFFAOYSA-N -1 3 276.380 3.298 20 0 CGADHM COc1cccc([O-])c1C(=O)N1CC[C@H](C)C2(CCC2)C1 ZINC000901303148 620851449 /nfs/dbraw/zinc/85/14/49/620851449.db2.gz OKDQWVRPTQQSKZ-LBPRGKRZSA-N -1 3 289.375 3.053 20 0 CGADHM C[C@H](CC(F)(F)F)NCc1ccc(C(=O)[O-])c(Cl)c1 ZINC000901451250 620884959 /nfs/dbraw/zinc/88/49/59/620884959.db2.gz PRMASEBECOHFHN-SSDOTTSWSA-N -1 3 295.688 3.469 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2cn(C)nc2C2CCCC2)n1 ZINC000901505844 620904707 /nfs/dbraw/zinc/90/47/07/620904707.db2.gz XIUIWXCOHXPXLK-BQYQJAHWSA-N -1 3 284.363 3.052 20 0 CGADHM Cc1cc(=O)[n-]c(CSC2CCC(F)(F)CC2)n1 ZINC000901736255 621009040 /nfs/dbraw/zinc/00/90/40/621009040.db2.gz DUJAKGRZKNXYBQ-UHFFFAOYSA-N -1 3 274.336 3.302 20 0 CGADHM Cc1cc(=O)[n-]c(CSC[C@@H]2CCCC3(CCC3)O2)n1 ZINC000901769070 621018367 /nfs/dbraw/zinc/01/83/67/621018367.db2.gz GZFKGQDZXXHICA-LBPRGKRZSA-N -1 3 294.420 3.216 20 0 CGADHM CCc1ccc(CN2CC3(CCC3)[C@@](F)(C(=O)[O-])C2)cc1 ZINC000901917283 621062271 /nfs/dbraw/zinc/06/22/71/621062271.db2.gz YSTRNFKBGVLSOF-KRWDZBQOSA-N -1 3 291.366 3.028 20 0 CGADHM Cc1cc(CN[C@@H](CCC(=O)[O-])CC2CCCCC2)no1 ZINC000901905216 621065395 /nfs/dbraw/zinc/06/53/95/621065395.db2.gz WVCOXLWICLFZKW-AWEZNQCLSA-N -1 3 294.395 3.276 20 0 CGADHM CC(C)CCOC1CCN(Cc2ccc(C(=O)[O-])o2)CC1 ZINC000902192249 621188894 /nfs/dbraw/zinc/18/88/94/621188894.db2.gz MENFOBXMACFBKS-UHFFFAOYSA-N -1 3 295.379 3.005 20 0 CGADHM O=C([O-])CC1CCC(N[C@@H](CF)c2ccc(F)cc2)CC1 ZINC000902192494 621189886 /nfs/dbraw/zinc/18/98/86/621189886.db2.gz YECVFQDYGORDBH-KWCHVYNWSA-N -1 3 297.345 3.459 20 0 CGADHM Cc1ccc2c(c1)[C@@H](NCc1ccoc1C(=O)[O-])CC2 ZINC000902230131 621203484 /nfs/dbraw/zinc/20/34/84/621203484.db2.gz DEHFYLBTBUIJDX-AWEZNQCLSA-N -1 3 271.316 3.063 20 0 CGADHM CC(C)(CCN1CCc2cc(Cl)ccc2C1)C(=O)[O-] ZINC000902260460 621213692 /nfs/dbraw/zinc/21/36/92/621213692.db2.gz BIQDSMDVYGDKLK-UHFFFAOYSA-N -1 3 281.783 3.199 20 0 CGADHM COC[C@@H](N[C@H](C)CCCC(C)(C)C(=O)[O-])c1ccco1 ZINC000902273633 621237081 /nfs/dbraw/zinc/23/70/81/621237081.db2.gz SLBAAKLTXTZWJS-CHWSQXEVSA-N -1 3 297.395 3.226 20 0 CGADHM O=C([O-])c1ccc(CN2CCC=C(c3ccco3)C2)s1 ZINC000903687636 621785585 /nfs/dbraw/zinc/78/55/85/621785585.db2.gz HRHXCFDKILXYKT-UHFFFAOYSA-N -1 3 289.356 3.329 20 0 CGADHM C[C@@H]1[C@@H](C(F)(F)F)CCN1Cc1ccc(C(=O)[O-])s1 ZINC000903686018 621788822 /nfs/dbraw/zinc/78/88/22/621788822.db2.gz CKXAUILGHNNMRC-APPZFPTMSA-N -1 3 293.310 3.219 20 0 CGADHM O=C([O-])c1ccc(CN[C@H](c2ccccn2)C2CC2)cc1 ZINC000903703517 621793061 /nfs/dbraw/zinc/79/30/61/621793061.db2.gz FIKWKAUJBGHASQ-INIZCTEOSA-N -1 3 282.343 3.021 20 0 CGADHM CN(Cc1ccc(Cl)cc1Cl)C[C@@H]1C[C@H]1C(=O)[O-] ZINC000903885811 621826598 /nfs/dbraw/zinc/82/65/98/621826598.db2.gz SWEZZXSOIGVMSN-GXSJLCMTSA-N -1 3 288.174 3.146 20 0 CGADHM CN(Cc1occ(C(F)(F)F)c1C(=O)[O-])C(C)(C)C ZINC000903886193 621826875 /nfs/dbraw/zinc/82/68/75/621826875.db2.gz BOOLUZXWFMXQRP-UHFFFAOYSA-N -1 3 279.258 3.227 20 0 CGADHM C[C@@H]1CSCCCN1Cc1cccc(C(=O)[O-])c1Cl ZINC000903958304 621837147 /nfs/dbraw/zinc/83/71/47/621837147.db2.gz ZCTHIHRYHUHHKS-SNVBAGLBSA-N -1 3 299.823 3.366 20 0 CGADHM CCCC[C@@H](CC)CCNCc1cc(C(=O)[O-])no1 ZINC000904054028 621860110 /nfs/dbraw/zinc/86/01/10/621860110.db2.gz JEYYJIAOYKXGMK-LLVKDONJSA-N -1 3 268.357 3.069 20 0 CGADHM Cc1ccc([C@H](NCc2ccc(C(=O)[O-])cn2)C2CC2)cc1 ZINC000905718776 622098398 /nfs/dbraw/zinc/09/83/98/622098398.db2.gz MVRHHTCKSPRTBI-KRWDZBQOSA-N -1 3 296.370 3.329 20 0 CGADHM CC[C@H]1CCCC[C@@H]1C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000913356837 622762610 /nfs/dbraw/zinc/76/26/10/622762610.db2.gz FEDRREUYRCOPKJ-RYUDHWBXSA-N -1 3 299.378 3.022 20 0 CGADHM CC[C@H]1CCCC[C@@H]1C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000913356837 622762612 /nfs/dbraw/zinc/76/26/12/622762612.db2.gz FEDRREUYRCOPKJ-RYUDHWBXSA-N -1 3 299.378 3.022 20 0 CGADHM CC[C@H]1CC[C@H](C(=O)Nc2ccccc2-c2nnn[n-]2)CC1 ZINC000913358317 622762745 /nfs/dbraw/zinc/76/27/45/622762745.db2.gz YVSJATJRAYFFJV-HAQNSBGRSA-N -1 3 299.378 3.022 20 0 CGADHM CC[C@H]1CC[C@H](C(=O)Nc2ccccc2-c2nn[n-]n2)CC1 ZINC000913358317 622762753 /nfs/dbraw/zinc/76/27/53/622762753.db2.gz YVSJATJRAYFFJV-HAQNSBGRSA-N -1 3 299.378 3.022 20 0 CGADHM CCCn1cc(NCc2c([O-])cccc2Cl)cn1 ZINC000157448551 622906665 /nfs/dbraw/zinc/90/66/65/622906665.db2.gz BMVGJPNGUSNCBR-UHFFFAOYSA-N -1 3 265.744 3.264 20 0 CGADHM CCN(Cc1cccs1)Cc1ccccc1CC(=O)[O-] ZINC000167709906 622953496 /nfs/dbraw/zinc/95/34/96/622953496.db2.gz PXFBIHLNCUKAQO-UHFFFAOYSA-N -1 3 289.400 3.397 20 0 CGADHM Cc1cccc(C)c1COC(=O)c1ccc([O-])cc1 ZINC000168242877 622997003 /nfs/dbraw/zinc/99/70/03/622997003.db2.gz VYSYEMWDBUGVDV-UHFFFAOYSA-N -1 3 256.301 3.366 20 0 CGADHM CCOc1ccc(NCc2ccc([O-])c(F)c2)cc1CO ZINC000232422362 623387808 /nfs/dbraw/zinc/38/78/08/623387808.db2.gz SXOUWGNDKZJECR-UHFFFAOYSA-N -1 3 291.322 3.034 20 0 CGADHM CC(=O)Nc1ccc(NC(=O)c2ccc(C)cc2[O-])cc1C ZINC000029818243 623419977 /nfs/dbraw/zinc/41/99/77/623419977.db2.gz QMEOBBDKROURJY-UHFFFAOYSA-N -1 3 298.342 3.220 20 0 CGADHM COc1ccc([O-])c(C(=O)Nc2cnc(Cl)cc2C)c1 ZINC000151673530 623555719 /nfs/dbraw/zinc/55/57/19/623555719.db2.gz IFFWSYJCUHKKDM-UHFFFAOYSA-N -1 3 292.722 3.010 20 0 CGADHM C[C@H]1CCCC[C@@H]1OCCOC(=O)c1ccc([O-])cc1 ZINC000915370307 623961848 /nfs/dbraw/zinc/96/18/48/623961848.db2.gz YBGMRTQAIUSKMS-WFASDCNBSA-N -1 3 278.348 3.144 20 0 CGADHM O=C(c1cc2sccc2c([O-])c1)N1CC[C@H](CF)C1 ZINC000916110469 624114086 /nfs/dbraw/zinc/11/40/86/624114086.db2.gz UVIFJFCKZJDTBJ-SECBINFHSA-N -1 3 279.336 3.039 20 0 CGADHM Cc1[n-]n(Cc2ccc(Cl)cc2Cl)c(=O)c1F ZINC000917345712 624260689 /nfs/dbraw/zinc/26/06/89/624260689.db2.gz GRNYNHBNFOQTKH-JTQLQIEISA-N -1 3 275.110 3.050 20 0 CGADHM CC(=O)[C@@H](C)SCc1cc(=O)oc2c(C)c([O-])ccc12 ZINC000175203104 624620038 /nfs/dbraw/zinc/62/00/38/624620038.db2.gz YEPGIYVRFUHNIZ-SNVBAGLBSA-N -1 3 292.356 3.018 20 0 CGADHM Cc1noc(C)c1CN(C)Cc1cccc(Cl)c1[O-] ZINC000179754955 624683124 /nfs/dbraw/zinc/68/31/24/624683124.db2.gz AGOKILMGHPFHRV-UHFFFAOYSA-N -1 3 280.755 3.282 20 0 CGADHM CCCCC[C@@H](CC)C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000179949599 624699969 /nfs/dbraw/zinc/69/99/69/624699969.db2.gz LEWWZSAJECIBAO-MRVPVSSYSA-N -1 3 292.305 3.369 20 0 CGADHM CCCCC[C@@H](CC)C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000179949599 624699972 /nfs/dbraw/zinc/69/99/72/624699972.db2.gz LEWWZSAJECIBAO-MRVPVSSYSA-N -1 3 292.305 3.369 20 0 CGADHM CC(C)CCCSCCC[N-]C(=O)C(F)(F)F ZINC000180107897 624715919 /nfs/dbraw/zinc/71/59/19/624715919.db2.gz PQDNPBVFRMTWHQ-UHFFFAOYSA-N -1 3 271.348 3.224 20 0 CGADHM O=C([N-]CCC1CCC(F)(F)CC1)C(F)(F)C(F)F ZINC000890061873 625833968 /nfs/dbraw/zinc/83/39/68/625833968.db2.gz RWSFSEOPXFSCKU-UHFFFAOYSA-N -1 3 291.235 3.219 20 0 CGADHM CC(C)[C@H](NCc1cccc([O-])c1Cl)c1cnn(C)c1 ZINC000922895517 626093522 /nfs/dbraw/zinc/09/35/22/626093522.db2.gz TYHMEFMFMMLKKF-HNNXBMFYSA-N -1 3 293.798 3.266 20 0 CGADHM CCc1onc(C)c1CNCc1ccc([O-])c(Cl)c1 ZINC000922984164 626113361 /nfs/dbraw/zinc/11/33/61/626113361.db2.gz VFDWQLLKHUSFFQ-UHFFFAOYSA-N -1 3 280.755 3.194 20 0 CGADHM CC1(C)CCC[C@@H]1OC(=O)Cc1ccc([O-])c(F)c1 ZINC000838146485 626196961 /nfs/dbraw/zinc/19/69/61/626196961.db2.gz SKQHQXWWQVNWSS-ZDUSSCGKSA-N -1 3 266.312 3.196 20 0 CGADHM CCc1cccc(C(=O)N2CCC3(CCCC3)C2)c1[O-] ZINC000751393543 626388781 /nfs/dbraw/zinc/38/87/81/626388781.db2.gz QUTFRUIEGJDTFB-UHFFFAOYSA-N -1 3 273.376 3.361 20 0 CGADHM CC(C)n1ccc(CC(=O)Nc2ccc(Cl)cc2[O-])n1 ZINC000754487331 626573072 /nfs/dbraw/zinc/57/30/72/626573072.db2.gz FYRQOXWEIOORSF-UHFFFAOYSA-N -1 3 293.754 3.004 20 0 CGADHM O=C(CC1CCCCC1)[N-]OCc1ccc(F)cc1 ZINC000754713454 626583834 /nfs/dbraw/zinc/58/38/34/626583834.db2.gz IBKUJKHYECTUPX-UHFFFAOYSA-N -1 3 265.328 3.344 20 0 CGADHM CC[C@H](CC(=O)[N-]OCc1ccc(F)cc1)C(C)C ZINC000754722478 626584538 /nfs/dbraw/zinc/58/45/38/626584538.db2.gz AUCDVWRBVWNSOF-CYBMUJFWSA-N -1 3 267.344 3.446 20 0 CGADHM O=C(C[C@H](c1ccc(O)cc1)C1CC1)[N-]OC/C=C/Cl ZINC000839776228 626787164 /nfs/dbraw/zinc/78/71/64/626787164.db2.gz ZAJYMDDQUMJKSX-NKROCUCGSA-N -1 3 295.766 3.076 20 0 CGADHM O=C(C[C@H](c1ccc(O)cc1)C1CC1)[N-]OCCC1CC1 ZINC000839778803 626787448 /nfs/dbraw/zinc/78/74/48/626787448.db2.gz QYJXCFSTJLAIFO-INIZCTEOSA-N -1 3 289.375 3.124 20 0 CGADHM COC(=O)Nc1ccc(C(=O)OCCCC(C)C)cc1[O-] ZINC000758496463 626846452 /nfs/dbraw/zinc/84/64/52/626846452.db2.gz OIBKVZQHNSZXDJ-UHFFFAOYSA-N -1 3 295.335 3.164 20 0 CGADHM C/C(=C\c1cccc(Cl)c1)C(=O)[N-]OCC(F)(F)F ZINC000759616513 626909499 /nfs/dbraw/zinc/90/94/99/626909499.db2.gz QZWVUWHJJXORIN-VMPITWQZSA-N -1 3 293.672 3.353 20 0 CGADHM O=C(/C=C/c1ccccc1F)Nc1cc(F)ccc1[O-] ZINC000759702735 626916443 /nfs/dbraw/zinc/91/64/43/626916443.db2.gz ZXDRYOLNQXTYDU-VMPITWQZSA-N -1 3 275.254 3.322 20 0 CGADHM Cc1cc(=O)[n-]c(CSc2nc(-c3ccccc3)c[nH]2)n1 ZINC000761865715 627068719 /nfs/dbraw/zinc/06/87/19/627068719.db2.gz WUFUHOCGZBIGOD-UHFFFAOYSA-N -1 3 298.371 3.173 20 0 CGADHM COc1ccccc1[C@H](C)SCc1nc(C)cc(=O)[n-]1 ZINC000761867174 627069540 /nfs/dbraw/zinc/06/95/40/627069540.db2.gz VNMZPKULSPUJCQ-NSHDSACASA-N -1 3 290.388 3.494 20 0 CGADHM Cc1ccc(C(=O)CCCC(=O)[N-]OC2CCCC2)cc1 ZINC000766158550 627300355 /nfs/dbraw/zinc/30/03/55/627300355.db2.gz KQQRCTBREDFIAO-UHFFFAOYSA-N -1 3 289.375 3.338 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])[C@@H](F)c1ccccc1 ZINC000769613066 627569982 /nfs/dbraw/zinc/56/99/82/627569982.db2.gz MFPYOUMXOFJUPX-ZDUSSCGKSA-N -1 3 263.243 3.181 20 0 CGADHM Cc1ccc(N(C)C(=O)c2cc3c(cc2[O-])OCO3)cc1C ZINC000769713777 627574352 /nfs/dbraw/zinc/57/43/52/627574352.db2.gz AZGGACKJNPDANQ-UHFFFAOYSA-N -1 3 299.326 3.014 20 0 CGADHM C[C@@H]1C[C@H](CC(=O)[N-]OC2CCOCC2)CC(C)(C)C1 ZINC000772724079 627817686 /nfs/dbraw/zinc/81/76/86/627817686.db2.gz CAPBCEWFOFIDQQ-CHWSQXEVSA-N -1 3 283.412 3.066 20 0 CGADHM Cc1ccc(C(=O)CCC(=O)[N-]OC2CCCC2)cc1C ZINC000774869323 628044291 /nfs/dbraw/zinc/04/42/91/628044291.db2.gz RXVIGVUSPMKKEH-UHFFFAOYSA-N -1 3 289.375 3.257 20 0 CGADHM CC(C)=CCOC(=O)c1cc(-c2ccc(C)o2)[n-]n1 ZINC000775279298 628077733 /nfs/dbraw/zinc/07/77/33/628077733.db2.gz VFKNDKNWCGULHQ-UHFFFAOYSA-N -1 3 260.293 3.101 20 0 CGADHM CC(C)=CCOC(=O)c1cc(-c2ccc(C)o2)n[n-]1 ZINC000775279298 628077737 /nfs/dbraw/zinc/07/77/37/628077737.db2.gz VFKNDKNWCGULHQ-UHFFFAOYSA-N -1 3 260.293 3.101 20 0 CGADHM O=C(CCCc1cccs1)[N-]OC1CCCCC1 ZINC000777949605 628314246 /nfs/dbraw/zinc/31/42/46/628314246.db2.gz OVCYCZLKCYKCHO-UHFFFAOYSA-N -1 3 267.394 3.451 20 0 CGADHM Cc1ccc(C(=O)CCC(=O)[N-]OC2CCCCC2)cc1 ZINC000777960882 628315009 /nfs/dbraw/zinc/31/50/09/628315009.db2.gz AQBXNIDRBAHQEH-UHFFFAOYSA-N -1 3 289.375 3.338 20 0 CGADHM Cc1nc(CCCC(=O)[N-]OC2CCCCC2)cs1 ZINC000777962515 628315156 /nfs/dbraw/zinc/31/51/56/628315156.db2.gz XPFLARIBIGENQU-UHFFFAOYSA-N -1 3 282.409 3.155 20 0 CGADHM C[C@@H]1CCCC[C@H]1CC(=O)[N-]OCCC(F)(F)F ZINC000777975426 628317308 /nfs/dbraw/zinc/31/73/08/628317308.db2.gz NVXFGILJDUULIF-ZJUUUORDSA-N -1 3 267.291 3.203 20 0 CGADHM Cc1cc(F)c(C=C2SC(=O)[N-]C2=O)c(Cl)c1 ZINC000874929501 634654288 /nfs/dbraw/zinc/65/42/88/634654288.db2.gz FTFSTTKNBJTPKG-RUDMXATFSA-N -1 3 271.700 3.111 20 0 CGADHM Cc1cc(=O)[n-]c(CSCCCc2ccsc2)n1 ZINC000782948946 628669282 /nfs/dbraw/zinc/66/92/82/628669282.db2.gz ZCZBXHBYHKSFHA-UHFFFAOYSA-N -1 3 280.418 3.418 20 0 CGADHM CC(C)(C)CCO[N-]C(=O)CCCc1ccccc1 ZINC000783557998 628725726 /nfs/dbraw/zinc/72/57/26/628725726.db2.gz DINQJWDIFIPZSM-UHFFFAOYSA-N -1 3 263.381 3.493 20 0 CGADHM CCc1ccccc1CO[N-]C(=O)CCOc1ccccc1 ZINC000783558433 628725768 /nfs/dbraw/zinc/72/57/68/628725768.db2.gz OBWKNDFVBAMNNG-UHFFFAOYSA-N -1 3 299.370 3.266 20 0 CGADHM O=C([N-][C@H]1CC[C@@H](Cc2ccccc2)C1)C(F)(F)F ZINC000783850821 628751188 /nfs/dbraw/zinc/75/11/88/628751188.db2.gz ORTPTFRDDVUQQY-RYUDHWBXSA-N -1 3 271.282 3.076 20 0 CGADHM C[C@@H](COC(=O)c1cc2occc2[n-]1)C(F)(F)F ZINC000786029972 628907315 /nfs/dbraw/zinc/90/73/15/628907315.db2.gz KGWDXHUTFMGAMZ-LURJTMIESA-N -1 3 261.199 3.116 20 0 CGADHM 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CCC[C@@H](NC(=O)c1ccccc1[O-])[C@H](O)c1ccccc1 ZINC000792579639 629368874 /nfs/dbraw/zinc/36/88/74/629368874.db2.gz RYVUBTFTMYHRHG-NVXWUHKLSA-N -1 3 299.370 3.024 20 0 CGADHM CC(C)(CC(=O)[N-]OC[C@H]1CCOC1)C1CCCCC1 ZINC000793939525 629508132 /nfs/dbraw/zinc/50/81/32/629508132.db2.gz RVSLHLPSGSEGPC-ZDUSSCGKSA-N -1 3 283.412 3.067 20 0 CGADHM CC(C)([N-]C(=O)C(F)(F)Cc1ccccc1)C(F)F ZINC000793988289 629510495 /nfs/dbraw/zinc/51/04/95/629510495.db2.gz FKTGYVVXJGNEKJ-UHFFFAOYSA-N -1 3 277.261 3.024 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)CCCOCc1ccccc1 ZINC000794848306 629587823 /nfs/dbraw/zinc/58/78/23/629587823.db2.gz APXMXEBDYLRCNL-CQSZACIVSA-N -1 3 279.380 3.077 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)CCCc1ccc(C)s1 ZINC000794855048 629589230 /nfs/dbraw/zinc/58/92/30/629589230.db2.gz UZHMVMVCQAKKFL-LLVKDONJSA-N -1 3 269.410 3.473 20 0 CGADHM CCCOc1cccc(CC(=O)[N-]OC[C@H](C)CC)c1 ZINC000794866672 629591503 /nfs/dbraw/zinc/59/15/03/629591503.db2.gz UEPIHQMOHHDUSF-CYBMUJFWSA-N -1 3 279.380 3.112 20 0 CGADHM 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FCIGMQJPLWEYCK-UHFFFAOYSA-N -1 3 261.321 3.050 20 0 CGADHM C[C@H]1SCC[C@@H]1NC(=O)c1cc2sccc2c([O-])c1 ZINC000844104348 635823060 /nfs/dbraw/zinc/82/30/60/635823060.db2.gz BFCJCQPXXFBEHE-KCJUWKMLSA-N -1 3 293.413 3.231 20 0 CGADHM COC1CCC(CC(=O)Nc2cccc([O-])c2F)CC1 ZINC000128454363 636010007 /nfs/dbraw/zinc/01/00/07/636010007.db2.gz QPEMBRDUTPHADX-UHFFFAOYSA-N -1 3 281.327 3.065 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)[C@@H]1CSC[C@H]1c1ccccc1 ZINC000846216073 636160121 /nfs/dbraw/zinc/16/01/21/636160121.db2.gz WUCWXUXVEAHYJN-VHDGCEQUSA-N -1 3 293.432 3.227 20 0 CGADHM O=c1ccnc(C=Cc2ccc(OC(F)F)c(Cl)c2)[n-]1 ZINC000131771459 636748943 /nfs/dbraw/zinc/74/89/43/636748943.db2.gz PIWLPRJEQYSQOK-DUXPYHPUSA-N -1 3 298.676 3.195 20 0 CGADHM C/C(=C/CN1CCc2ccc(C(C)C)cc2C1)C(=O)[O-] ZINC000849345146 636815548 /nfs/dbraw/zinc/81/55/48/636815548.db2.gz TYFDNZUXYDBRIQ-MLPAPPSSSA-N -1 3 273.376 3.199 20 0 CGADHM CCOc1ccccc1CCC(=O)[N-]OC1CCCC1 ZINC000135130022 637090221 /nfs/dbraw/zinc/09/02/21/637090221.db2.gz SQRYUWPLHHQXBN-UHFFFAOYSA-N -1 3 277.364 3.008 20 0 CGADHM O=C(CCc1c[nH]c2ccccc12)[N-]OC1CCCC1 ZINC000135141566 637091573 /nfs/dbraw/zinc/09/15/73/637091573.db2.gz BTNMJHQCAJSIEV-UHFFFAOYSA-N -1 3 272.348 3.091 20 0 CGADHM CC(C)CO[N-]C(=O)CCc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000135338748 637118768 /nfs/dbraw/zinc/11/87/68/637118768.db2.gz VVGPOWPHJVYBMM-WCQYABFASA-N -1 3 265.353 3.039 20 0 CGADHM Cc1ccc(CN2CCCC[C@H]2CCC(=O)[O-])c(Cl)n1 ZINC000852729734 637702107 /nfs/dbraw/zinc/70/21/07/637702107.db2.gz APYFSYUKCZNATE-ZDUSSCGKSA-N -1 3 296.798 3.263 20 0 CGADHM Cc1nc(C)c(CO[N-]C(=O)CCC2CCCCC2)o1 ZINC000853665119 637886672 /nfs/dbraw/zinc/88/66/72/637886672.db2.gz DUWDMTHBTBBJDQ-UHFFFAOYSA-N -1 3 280.368 3.200 20 0 CGADHM CO[C@@H](CO[N-]C(=O)CC(C)(C)C)C1CCCCC1 ZINC000853706650 637897808 /nfs/dbraw/zinc/89/78/08/637897808.db2.gz MVJFQTRUAZFESM-ZDUSSCGKSA-N -1 3 271.401 3.066 20 0 CGADHM O=C(Nc1ccnn1C1CCC1)c1cc([O-])ccc1Cl ZINC000890359754 638189691 /nfs/dbraw/zinc/18/96/91/638189691.db2.gz WDURMKAVSDTNBI-UHFFFAOYSA-N -1 3 291.738 3.219 20 0 CGADHM C[C@@H]1CCN(C(=O)c2cc([O-])c3ccccc3c2)C[C@H](C)O1 ZINC000855931762 638279128 /nfs/dbraw/zinc/27/91/28/638279128.db2.gz XXKDIRRIJKPAPR-OLZOCXBDSA-N -1 3 299.370 3.185 20 0 CGADHM COc1ccccc1C[C@H](C)CC(=O)[N-]OCC1CCC1 ZINC000856347285 638347287 /nfs/dbraw/zinc/34/72/87/638347287.db2.gz KPEVPSGOAXEJCC-ZDUSSCGKSA-N -1 3 291.391 3.112 20 0 CGADHM O=C(Cc1ccccc1C(F)(F)F)[N-]OCC1CCC1 ZINC000856347399 638347358 /nfs/dbraw/zinc/34/73/58/638347358.db2.gz PZKVBLVVHUYQEP-UHFFFAOYSA-N -1 3 287.281 3.096 20 0 CGADHM O=C(Cc1cccc(C(F)F)c1)[N-]OCC1CCC1 ZINC000856351635 638351215 /nfs/dbraw/zinc/35/12/15/638351215.db2.gz MHWUPNAORPPCQW-UHFFFAOYSA-N -1 3 269.291 3.015 20 0 CGADHM CCON(C(=O)c1cc([O-])cc(C(F)(F)F)c1)C(C)C ZINC000857296247 638490084 /nfs/dbraw/zinc/49/00/84/638490084.db2.gz XAZKMOXRRJDVAR-UHFFFAOYSA-N -1 3 291.269 3.213 20 0 CGADHM CCO[N-]C(=O)CCC(=O)c1ccc(-c2ccccc2)cc1 ZINC000011739945 638512156 /nfs/dbraw/zinc/51/21/56/638512156.db2.gz CBXKXTFKIZSPGV-UHFFFAOYSA-N -1 3 297.354 3.384 20 0 CGADHM Cc1cc(Nc2cc(Cl)nc(=O)[n-]2)nn1[C@@H](C)C1CC1 ZINC000858480318 638734834 /nfs/dbraw/zinc/73/48/34/638734834.db2.gz QUXDLLMKXLUZQT-QMMMGPOBSA-N -1 3 293.758 3.055 20 0 CGADHM Cc1nc(C(=O)[N-]c2c(C)noc2C(C)C)sc1C ZINC000928787361 638892254 /nfs/dbraw/zinc/89/22/54/638892254.db2.gz KYLAHNJZGWLPNU-UHFFFAOYSA-N -1 3 279.365 3.432 20 0 CGADHM O=C(C[C@@H]1CCOc2ccccc21)[N-]OCc1ccccc1 ZINC000117745820 639430821 /nfs/dbraw/zinc/43/08/21/639430821.db2.gz FMUZENICRINPRO-HNNXBMFYSA-N -1 3 297.354 3.191 20 0 CGADHM CC(C)CCCCCC(=O)[N-]OCc1cccnc1 ZINC000155894914 639955748 /nfs/dbraw/zinc/95/57/48/639955748.db2.gz CGRIKJMTHFUOIK-UHFFFAOYSA-N -1 3 264.369 3.236 20 0 CGADHM O=C1N[C@@H](c2ccc([O-])c(F)c2)Nc2ccc(Cl)cc21 ZINC000159133896 640032166 /nfs/dbraw/zinc/03/21/66/640032166.db2.gz BLVARVINIBPPKO-ZDUSSCGKSA-N -1 3 292.697 3.039 20 0 CGADHM C[C@H](NCc1c([O-])ccc(Cl)c1F)c1ccccn1 ZINC000190674679 640260468 /nfs/dbraw/zinc/26/04/68/640260468.db2.gz IPMAXFNRLNYOOR-VIFPVBQESA-N -1 3 280.730 3.431 20 0 CGADHM CCN(Cc1ccoc1)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000079410487 640400892 /nfs/dbraw/zinc/40/08/92/640400892.db2.gz YGYRXLKSLJSMEW-UHFFFAOYSA-N -1 3 291.322 3.349 20 0 CGADHM O=C([O-])c1csc(CN[C@H]2CCCc3occc32)c1 ZINC000095004476 640806897 /nfs/dbraw/zinc/80/68/97/640806897.db2.gz LPHKTKPOBBUPTA-LBPRGKRZSA-N -1 3 277.345 3.207 20 0 CGADHM O=C(Nc1ncccc1[O-])c1cccc2c(F)cccc12 ZINC001156091260 805651013 /nfs/dbraw/zinc/65/10/13/805651013.db2.gz DBQUBMIOOKSIPK-UHFFFAOYSA-N -1 3 282.274 3.332 20 0 CGADHM CCCn1c(-c2ccncc2[O-])nc2ccc(F)c(F)c21 ZINC001250857739 805789655 /nfs/dbraw/zinc/78/96/55/805789655.db2.gz KXYAXBISDBWTEI-UHFFFAOYSA-N -1 3 289.285 3.492 20 0 CGADHM CC(=O)c1ccc2[nH]c(-c3ccc([O-])cc3F)nc2c1 ZINC001250846436 805787866 /nfs/dbraw/zinc/78/78/66/805787866.db2.gz ZKJIBECJUWBLTE-UHFFFAOYSA-N -1 3 270.263 3.277 20 0 CGADHM CCOC(=O)c1nc[n-]c1-c1nc2ccccc2n1C(C)C ZINC001251232412 805867836 /nfs/dbraw/zinc/86/78/36/805867836.db2.gz RKLZLTQAYZGUCB-UHFFFAOYSA-N -1 3 298.346 3.184 20 0 CGADHM Fc1cc(Cl)cc2[n-]c(-c3nc4ccccn4n3)nc21 ZINC001251259347 805873831 /nfs/dbraw/zinc/87/38/31/805873831.db2.gz UNCAARUBYCZLSV-UHFFFAOYSA-N -1 3 287.685 3.065 20 0 CGADHM O=S(=O)([N-]c1cccc2c1CCC2)c1ccc(F)cc1 ZINC001251601118 805910067 /nfs/dbraw/zinc/91/00/67/805910067.db2.gz NNOGBKGVJZWTGN-UHFFFAOYSA-N -1 3 291.347 3.115 20 0 CGADHM CCc1c(Cl)cc(NCC(C)(C)O)c([O-])c1Cl ZINC001252363765 806043260 /nfs/dbraw/zinc/04/32/60/806043260.db2.gz YYPZFDXYIVEJKV-UHFFFAOYSA-N -1 3 278.179 3.444 20 0 CGADHM CC(C)(C)c1ccc(-c2nnc(-c3cc(=O)[n-]cn3)o2)cc1 ZINC001252797619 806121195 /nfs/dbraw/zinc/12/11/95/806121195.db2.gz MRBVOAHBFVJZSN-UHFFFAOYSA-N -1 3 296.330 3.197 20 0 CGADHM [O-]c1cccc(NC[C@H](O)c2ccc(F)cc2)c1Cl ZINC001252854311 806133317 /nfs/dbraw/zinc/13/33/17/806133317.db2.gz VEITUDFYFORISX-ZDUSSCGKSA-N -1 3 281.714 3.330 20 0 CGADHM CCCCS(=O)(=O)[N-]c1ccc2cccc(C)c2n1 ZINC001253776421 806307634 /nfs/dbraw/zinc/30/76/34/806307634.db2.gz QKBDZJHGOLITIR-UHFFFAOYSA-N -1 3 278.377 3.085 20 0 CGADHM [O-]c1c(-c2nnc(C3CC3)o2)cc(O)c2ccccc12 ZINC001254054529 806334387 /nfs/dbraw/zinc/33/43/87/806334387.db2.gz OVKMYEWWFCFEGM-UHFFFAOYSA-N -1 3 268.272 3.178 20 0 CGADHM Clc1ccc2[n-]c(-c3nnc(C4CC4)o3)nc2c1 ZINC001254054331 806334726 /nfs/dbraw/zinc/33/47/26/806334726.db2.gz MKXXFRGELDYWQJ-UHFFFAOYSA-N -1 3 260.684 3.144 20 0 CGADHM COc1cccc([O-])c1C(=O)N[C@@H](C)[C@H]1CCC[C@@H](C)C1 ZINC001161931573 806484316 /nfs/dbraw/zinc/48/43/16/806484316.db2.gz BRLZKOCFCZANJL-AGIUHOORSA-N -1 3 291.391 3.345 20 0 CGADHM C[C@H]1CCCC[C@H]1CNc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001162530763 806614223 /nfs/dbraw/zinc/61/42/23/806614223.db2.gz OJINSINAAYPHTO-QWRGUYRKSA-N -1 3 289.358 3.244 20 0 CGADHM C[C@H]1CCCC[C@H]1CNc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001162530763 806614226 /nfs/dbraw/zinc/61/42/26/806614226.db2.gz OJINSINAAYPHTO-QWRGUYRKSA-N -1 3 289.358 3.244 20 0 CGADHM Cc1c[nH]c([N-]c2nc(C3CCCCC3)ns2)n1 ZINC001162781790 806664319 /nfs/dbraw/zinc/66/43/19/806664319.db2.gz XZSLFKWWMOVJPA-UHFFFAOYSA-N -1 3 263.370 3.361 20 0 CGADHM CCc1cccc(CC)c1NC([O-])=NO[C@H]1CCCCO1 ZINC000155527757 799063531 /nfs/dbraw/zinc/06/35/31/799063531.db2.gz WQIPJRARMDKKFL-AWEZNQCLSA-N -1 3 292.379 3.391 20 0 CGADHM CCc1cccc(CC)c1NC(=O)[N-]O[C@H]1CCCCO1 ZINC000155527757 799063539 /nfs/dbraw/zinc/06/35/39/799063539.db2.gz WQIPJRARMDKKFL-AWEZNQCLSA-N -1 3 292.379 3.391 20 0 CGADHM C[C@H](CSc1ccc(F)cc1)N[C@@H]1[CH]CC=C1 ZINC001255739900 806729836 /nfs/dbraw/zinc/72/98/36/806729836.db2.gz MCTAVFRFVWRBTD-YPMHNXCESA-N -1 3 250.362 3.429 20 0 CGADHM Fc1ccc([S-])c(N[C@@H]2CNCc3ccsc32)c1 ZINC001163230684 806731737 /nfs/dbraw/zinc/73/17/37/806731737.db2.gz QFKKBTAHAWAPKZ-LLVKDONJSA-N -1 3 280.393 3.432 20 0 CGADHM CC[C@@H](NC(=O)c1ccc(OC)cc1[O-])C1CCCC1 ZINC000382818709 799398073 /nfs/dbraw/zinc/39/80/73/799398073.db2.gz IJQZKRNZBYEMRF-CQSZACIVSA-N -1 3 277.364 3.099 20 0 CGADHM C/C(=C/C(C)(C)C)C(=O)Nc1cc(F)ccc1[O-] ZINC000588505700 799703985 /nfs/dbraw/zinc/70/39/85/799703985.db2.gz KXYGNKLFUQBEKI-HJWRWDBZSA-N -1 3 251.301 3.462 20 0 CGADHM C[C@H](NCc1csc(C(=O)[O-])c1)c1ccsc1 ZINC000689143883 799760523 /nfs/dbraw/zinc/76/05/23/799760523.db2.gz HKQGJSGYGJTRGQ-QMMMGPOBSA-N -1 3 267.375 3.359 20 0 CGADHM [O-]c1c(F)cc(CN2CCCC(F)(F)CC2)cc1F ZINC000702824949 799914121 /nfs/dbraw/zinc/91/41/21/799914121.db2.gz VSAFDMJIHBURFE-UHFFFAOYSA-N -1 3 277.261 3.292 20 0 CGADHM C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1CNC(=O)c1cc([O-])ccc1Cl ZINC000717044932 800190518 /nfs/dbraw/zinc/19/05/18/800190518.db2.gz AYJJYKYBUALOFW-LSKIRQOJSA-N -1 3 279.767 3.068 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CCC(F)(C2CC2)CC1 ZINC000724831524 800367682 /nfs/dbraw/zinc/36/76/82/800367682.db2.gz KBJXQYDSWHAWJT-UHFFFAOYSA-N -1 3 277.339 3.055 20 0 CGADHM CC(C)OCc1nc2cc(-c3ccccc3)oc2c(=O)[n-]1 ZINC000821956898 800457988 /nfs/dbraw/zinc/45/79/88/800457988.db2.gz MBSUVGNRXNITFA-UHFFFAOYSA-N -1 3 284.315 3.108 20 0 CGADHM Cc1cccc(CO[N-]C(=O)C[C@@H]2CCCC[C@H]2C)n1 ZINC000827805679 800479727 /nfs/dbraw/zinc/47/97/27/800479727.db2.gz CRSJNNPMEHPVJW-OCCSQVGLSA-N -1 3 276.380 3.154 20 0 CGADHM CC(C)(C)O[N-]C(=O)C[C@H]1CCCc2ccccc21 ZINC001116411865 802344666 /nfs/dbraw/zinc/34/46/66/802344666.db2.gz WUMLXWBFPWHKIF-CYBMUJFWSA-N -1 3 261.365 3.343 20 0 CGADHM O=c1cc(Nc2ccc3[nH]ccc3c2)nc(C2CC2)[n-]1 ZINC001173935872 808773307 /nfs/dbraw/zinc/77/33/07/808773307.db2.gz AKEXUSNZUOUUDQ-UHFFFAOYSA-N -1 3 266.304 3.285 20 0 CGADHM COc1ccc(-c2ccc(C)c(-c3nnn[n-]3)c2)c(C)c1C ZINC001244002471 803134002 /nfs/dbraw/zinc/13/40/02/803134002.db2.gz DRQOMSHJNHMOMM-UHFFFAOYSA-N -1 3 294.358 3.468 20 0 CGADHM COc1ccc(-c2ccc(C)c(-c3nn[n-]n3)c2)c(C)c1C ZINC001244002471 803134005 /nfs/dbraw/zinc/13/40/05/803134005.db2.gz DRQOMSHJNHMOMM-UHFFFAOYSA-N -1 3 294.358 3.468 20 0 CGADHM CCN(CC)c1ncc(-c2c([O-])cccc2Cl)cn1 ZINC001244043508 803158587 /nfs/dbraw/zinc/15/85/87/803158587.db2.gz BKPASJUJKKMKFQ-UHFFFAOYSA-N -1 3 277.755 3.349 20 0 CGADHM O=C1NCc2cccc(-c3c([O-])cccc3Cl)c2N1 ZINC001244047823 803159057 /nfs/dbraw/zinc/15/90/57/803159057.db2.gz JZCWCCIUVGFVHG-UHFFFAOYSA-N -1 3 274.707 3.348 20 0 CGADHM Cc1ncc(C2CC2)cc1-c1ccc(Cc2nnn[n-]2)cc1 ZINC001244144947 803207170 /nfs/dbraw/zinc/20/71/70/803207170.db2.gz PVPMUQAANLUFDQ-UHFFFAOYSA-N -1 3 291.358 3.038 20 0 CGADHM Cc1ncc(C2CC2)cc1-c1ccc(Cc2nn[n-]n2)cc1 ZINC001244144947 803207174 /nfs/dbraw/zinc/20/71/74/803207174.db2.gz PVPMUQAANLUFDQ-UHFFFAOYSA-N -1 3 291.358 3.038 20 0 CGADHM COc1cccc(C2CC2)c1-c1ccccc1-c1nnn[n-]1 ZINC001244256268 803266604 /nfs/dbraw/zinc/26/66/04/803266604.db2.gz SOXWRXXLXZSCBH-UHFFFAOYSA-N -1 3 292.342 3.420 20 0 CGADHM COc1cccc(C2CC2)c1-c1ccccc1-c1nn[n-]n1 ZINC001244256268 803266609 /nfs/dbraw/zinc/26/66/09/803266609.db2.gz SOXWRXXLXZSCBH-UHFFFAOYSA-N -1 3 292.342 3.420 20 0 CGADHM O=C([N-]Cc1cccc(F)c1F)C(F)(F)c1ccccc1 ZINC001131930062 803358835 /nfs/dbraw/zinc/35/88/35/803358835.db2.gz OGWPVQDGRGLQSJ-UHFFFAOYSA-N -1 3 297.251 3.373 20 0 CGADHM Nc1cc(-c2cc(OC(F)(F)F)ccc2[O-])ncc1F ZINC001244459015 803379985 /nfs/dbraw/zinc/37/99/85/803379985.db2.gz XRGOBBWJTDSCQC-UHFFFAOYSA-N -1 3 288.200 3.074 20 0 CGADHM COC(=O)c1cc(-c2ccc(Cl)cc2[O-])cnc1F ZINC001244469765 803385686 /nfs/dbraw/zinc/38/56/86/803385686.db2.gz RWIGBXKHMZKLEE-UHFFFAOYSA-N -1 3 281.670 3.033 20 0 CGADHM CNC(=O)Cc1ccccc1-c1ccc(Cl)cc1[O-] ZINC001244469804 803386584 /nfs/dbraw/zinc/38/65/84/803386584.db2.gz UAWZWNHNYFVOJL-UHFFFAOYSA-N -1 3 275.735 3.001 20 0 CGADHM Cc1cc(-c2ccc3c(c2)[C@H](O)CCO3)cc([O-])c1F ZINC001244521573 803415551 /nfs/dbraw/zinc/41/55/51/803415551.db2.gz VGWVVJYLASFCNA-CYBMUJFWSA-N -1 3 274.291 3.323 20 0 CGADHM COC(=O)[C@H](C)c1ccc(-c2cc(C)c(F)c([O-])c2)nc1 ZINC001244519320 803415640 /nfs/dbraw/zinc/41/56/40/803415640.db2.gz YRCWPSXQSPWRQB-SNVBAGLBSA-N -1 3 289.306 3.178 20 0 CGADHM Cc1cc(-c2ccc3c(c2)NC(=O)NC3)cc([O-])c1F ZINC001244520156 803415751 /nfs/dbraw/zinc/41/57/51/803415751.db2.gz KGVCFQVWORDANM-UHFFFAOYSA-N -1 3 272.279 3.142 20 0 CGADHM Cc1cc(-c2cccn(-c3cccnc3)c2=O)cc([O-])c1F ZINC001244524836 803417462 /nfs/dbraw/zinc/41/74/62/803417462.db2.gz HPOBWNJXDXDZEG-UHFFFAOYSA-N -1 3 296.301 3.053 20 0 CGADHM Cc1cc(-c2cnc(OCC3CCC3)cn2)cc([O-])c1F ZINC001244525774 803418959 /nfs/dbraw/zinc/41/89/59/803418959.db2.gz RKBHFASTDFGQEH-UHFFFAOYSA-N -1 3 288.322 3.476 20 0 CGADHM COC(=O)c1ncc(-c2cc(C)c([O-])c(Cl)c2)cc1F ZINC001244536879 803424086 /nfs/dbraw/zinc/42/40/86/803424086.db2.gz AJXVBWGUMYFJAX-UHFFFAOYSA-N -1 3 295.697 3.342 20 0 CGADHM Cc1cc(-c2ccc3c(c2)C(=O)NCC3)cc(Cl)c1[O-] ZINC001244536875 803424228 /nfs/dbraw/zinc/42/42/28/803424228.db2.gz AHTJZPUMZMMQCG-UHFFFAOYSA-N -1 3 287.746 3.307 20 0 CGADHM Cc1cc(-c2cccc3c2C(=O)NC3)cc(Cl)c1[O-] ZINC001244537606 803425357 /nfs/dbraw/zinc/42/53/57/803425357.db2.gz NTHYNNIVEYFNCC-UHFFFAOYSA-N -1 3 273.719 3.264 20 0 CGADHM [O-]c1ccc(Cl)c(-c2nccc3[nH]cnc32)c1F ZINC001244539054 803426253 /nfs/dbraw/zinc/42/62/53/803426253.db2.gz WNFVTXAGQIBUSA-UHFFFAOYSA-N -1 3 263.659 3.123 20 0 CGADHM COc1ccc(-c2ccc3c(c2)[N-]C(=S)C3)cc1N ZINC001244899543 803568181 /nfs/dbraw/zinc/56/81/81/803568181.db2.gz GAPPOOBOTSKLSP-UHFFFAOYSA-N -1 3 270.357 3.240 20 0 CGADHM Fc1ccc(-c2ccc(Cc3nnn[n-]3)cc2)c2occc21 ZINC001244931637 803581688 /nfs/dbraw/zinc/58/16/88/803581688.db2.gz GOUJESCGFNENPU-UHFFFAOYSA-N -1 3 294.289 3.343 20 0 CGADHM Fc1ccc(-c2ccc(Cc3nn[n-]n3)cc2)c2occc21 ZINC001244931637 803581692 /nfs/dbraw/zinc/58/16/92/803581692.db2.gz GOUJESCGFNENPU-UHFFFAOYSA-N -1 3 294.289 3.343 20 0 CGADHM COC(=O)c1ncc(-c2cc(Cl)ccc2[O-])cc1F ZINC001245051338 803623187 /nfs/dbraw/zinc/62/31/87/803623187.db2.gz ZETXJDRUKQDUJJ-UHFFFAOYSA-N -1 3 281.670 3.033 20 0 CGADHM CC(C)n1cccc(-c2cc(Cl)ccc2[O-])c1=O ZINC001245052121 803623749 /nfs/dbraw/zinc/62/37/49/803623749.db2.gz BJDHZUIESFXEHB-UHFFFAOYSA-N -1 3 263.724 3.455 20 0 CGADHM O=c1c(-c2cc(Cl)ccc2[O-])cccn1CC1CC1 ZINC001245053208 803623940 /nfs/dbraw/zinc/62/39/40/803623940.db2.gz XWNIJLCFKQMDIE-UHFFFAOYSA-N -1 3 275.735 3.284 20 0 CGADHM COC(=O)c1ccc(-c2cc(Cl)ccc2[O-])c(C)n1 ZINC001245054542 803624272 /nfs/dbraw/zinc/62/42/72/803624272.db2.gz HZICNRDNAIBFQZ-UHFFFAOYSA-N -1 3 277.707 3.203 20 0 CGADHM CC1(c2ccnc(-c3ccc([O-])cc3Cl)c2)OCCO1 ZINC001245077752 803633818 /nfs/dbraw/zinc/63/38/18/803633818.db2.gz CUDZBFIKPOPRDW-UHFFFAOYSA-N -1 3 291.734 3.327 20 0 CGADHM Cc1cnc(-c2ccc([O-])cc2Cl)nc1N1CCCC1 ZINC001245081019 803635369 /nfs/dbraw/zinc/63/53/69/803635369.db2.gz VKKDMBSLVAZLGP-UHFFFAOYSA-N -1 3 289.766 3.411 20 0 CGADHM [O-]c1ccc(-c2ncc(OCC3CC3)cn2)c(Cl)c1 ZINC001245081295 803636750 /nfs/dbraw/zinc/63/67/50/803636750.db2.gz DMTUWKGPCMYAAP-UHFFFAOYSA-N -1 3 276.723 3.291 20 0 CGADHM [O-]c1ccc(Nc2ncc3ccccc3n2)c(F)c1F ZINC001211997658 814964455 /nfs/dbraw/zinc/96/44/55/814964455.db2.gz DRGQLBJIXBXCQI-UHFFFAOYSA-N -1 3 273.242 3.357 20 0 CGADHM [O-]c1ccc(Nc2cc3ccccn3n2)c(F)c1F ZINC001212005897 814965873 /nfs/dbraw/zinc/96/58/73/814965873.db2.gz ZBMMGHQKMHCVMN-UHFFFAOYSA-N -1 3 261.231 3.062 20 0 CGADHM CC(C)c1nccnc1Nc1ccc([O-])c(F)c1F ZINC001212007712 814965954 /nfs/dbraw/zinc/96/59/54/814965954.db2.gz ZBYZSIVBELRHKT-UHFFFAOYSA-N -1 3 265.263 3.327 20 0 CGADHM COC(=O)Cc1ccccc1Nc1ccc([O-])c(F)c1F ZINC001212007576 814966011 /nfs/dbraw/zinc/96/60/11/814966011.db2.gz OGCSQHZPLOTXRI-UHFFFAOYSA-N -1 3 293.269 3.130 20 0 CGADHM Cc1ccc(O)c(Nc2ccc([O-])c(F)c2F)c1 ZINC001212009904 814966395 /nfs/dbraw/zinc/96/63/95/814966395.db2.gz YABUHOYBCIRWPK-UHFFFAOYSA-N -1 3 251.232 3.428 20 0 CGADHM CC(=O)Oc1ccc(Nc2ccc([O-])c(F)c2F)cc1 ZINC001212014021 814967571 /nfs/dbraw/zinc/96/75/71/814967571.db2.gz VSEXENFARAQHOI-UHFFFAOYSA-N -1 3 279.242 3.339 20 0 CGADHM Cc1ccc2[nH]c(-c3cc(F)cc(-c4nnn[n-]4)c3)cc2c1 ZINC001245572492 803824066 /nfs/dbraw/zinc/82/40/66/803824066.db2.gz KURMQNAEDYLKQU-UHFFFAOYSA-N -1 3 293.305 3.463 20 0 CGADHM Cc1ccc2[nH]c(-c3cc(F)cc(-c4nn[n-]n4)c3)cc2c1 ZINC001245572492 803824075 /nfs/dbraw/zinc/82/40/75/803824075.db2.gz KURMQNAEDYLKQU-UHFFFAOYSA-N -1 3 293.305 3.463 20 0 CGADHM Fc1ccc2[nH]c(-c3ccc(-c4nnn[n-]4)c(F)c3)cc2c1 ZINC001245575321 803828205 /nfs/dbraw/zinc/82/82/05/803828205.db2.gz CLWDXNLIEHFNJH-UHFFFAOYSA-N -1 3 297.268 3.293 20 0 CGADHM Fc1ccc2[nH]c(-c3ccc(-c4nn[n-]n4)c(F)c3)cc2c1 ZINC001245575321 803828215 /nfs/dbraw/zinc/82/82/15/803828215.db2.gz CLWDXNLIEHFNJH-UHFFFAOYSA-N -1 3 297.268 3.293 20 0 CGADHM Fc1ccc2[nH]c(-c3ccc(-c4nnn[n-]4)cc3)cc2c1 ZINC001245577073 803829481 /nfs/dbraw/zinc/82/94/81/803829481.db2.gz OXSGIJBIOCQQLN-UHFFFAOYSA-N -1 3 279.278 3.154 20 0 CGADHM Fc1ccc2[nH]c(-c3ccc(-c4nn[n-]n4)cc3)cc2c1 ZINC001245577073 803829484 /nfs/dbraw/zinc/82/94/84/803829484.db2.gz OXSGIJBIOCQQLN-UHFFFAOYSA-N -1 3 279.278 3.154 20 0 CGADHM CC(=O)Oc1ccc(Nc2cc(F)c([O-])c(F)c2)cc1 ZINC001212078060 814973180 /nfs/dbraw/zinc/97/31/80/814973180.db2.gz JQTIKAONXNMTOX-UHFFFAOYSA-N -1 3 279.242 3.339 20 0 CGADHM O=C1c2cccc(-c3c([O-])cccc3F)c2CN1C1CC1 ZINC001245654182 803886153 /nfs/dbraw/zinc/88/61/53/803886153.db2.gz AYAGCDGQVXXQIP-UHFFFAOYSA-N -1 3 283.302 3.317 20 0 CGADHM COc1cc(C)c(-c2cc(F)cc(-c3nnn[n-]3)c2)c(C)c1 ZINC001245683162 803909640 /nfs/dbraw/zinc/90/96/40/803909640.db2.gz PKYNXHITXLCKBZ-UHFFFAOYSA-N -1 3 298.321 3.298 20 0 CGADHM COc1cc(C)c(-c2cc(F)cc(-c3nn[n-]n3)c2)c(C)c1 ZINC001245683162 803909646 /nfs/dbraw/zinc/90/96/46/803909646.db2.gz PKYNXHITXLCKBZ-UHFFFAOYSA-N -1 3 298.321 3.298 20 0 CGADHM Fc1c(Cl)ccc(-c2ccccc2-c2nnn[n-]2)c1F ZINC001245738596 803936885 /nfs/dbraw/zinc/93/68/85/803936885.db2.gz HOKOFHMJIJGDGB-UHFFFAOYSA-N -1 3 292.676 3.465 20 0 CGADHM Fc1c(Cl)ccc(-c2ccccc2-c2nn[n-]n2)c1F ZINC001245738596 803936892 /nfs/dbraw/zinc/93/68/92/803936892.db2.gz HOKOFHMJIJGDGB-UHFFFAOYSA-N -1 3 292.676 3.465 20 0 CGADHM [O-]c1ccc(F)c(-c2ccc3cncn3c2)c1Cl ZINC001245832591 803988473 /nfs/dbraw/zinc/98/84/73/803988473.db2.gz LEVHZGOIVQBHQW-UHFFFAOYSA-N -1 3 262.671 3.499 20 0 CGADHM CC1(C)CCC(C)(C[N-]C(=O)C(F)(F)F)CC1 ZINC001212179509 814989126 /nfs/dbraw/zinc/98/91/26/814989126.db2.gz CAQHGLSBMBHFOP-UHFFFAOYSA-N -1 3 251.292 3.271 20 0 CGADHM Cc1nnc([N-]c2ccc(F)cc2OC(C)C)o1 ZINC001212290169 815002719 /nfs/dbraw/zinc/00/27/19/815002719.db2.gz NLDNYSLXJHKRMT-UHFFFAOYSA-N -1 3 251.261 3.048 20 0 CGADHM Cc1nc(Nc2cccc(OC(C)C)c2F)cc(=O)[n-]1 ZINC001212318426 815004445 /nfs/dbraw/zinc/00/44/45/815004445.db2.gz ZATODVLTLUEMPN-UHFFFAOYSA-N -1 3 277.299 3.161 20 0 CGADHM Nc1cc(Nc2nc3c(cccc3[O-])s2)ccc1F ZINC001212328069 815005880 /nfs/dbraw/zinc/00/58/80/815005880.db2.gz JOGPXTGYUMGKSK-UHFFFAOYSA-N -1 3 275.308 3.467 20 0 CGADHM [O-]c1cnccc1CN1CCC[C@@H]1c1c(F)cccc1F ZINC001140280338 804406815 /nfs/dbraw/zinc/40/68/15/804406815.db2.gz HFJAUIWIVSBDLC-CQSZACIVSA-N -1 3 290.313 3.403 20 0 CGADHM [O-]c1ccc(CN2CCC3(CCCC3)C2)c(F)c1F ZINC001140892925 804543714 /nfs/dbraw/zinc/54/37/14/804543714.db2.gz CXRZRJITXOTNJI-UHFFFAOYSA-N -1 3 267.319 3.437 20 0 CGADHM Cc1cc(CNC(=O)c2cc([O-])c3ccccc3c2)ccn1 ZINC001141194278 804607961 /nfs/dbraw/zinc/60/79/61/804607961.db2.gz UBQMLFQNJPUCJE-UHFFFAOYSA-N -1 3 292.338 3.179 20 0 CGADHM O=C(Cc1ccc2cccnc2c1)[N-]OCc1ccccc1 ZINC001141339015 804632781 /nfs/dbraw/zinc/63/27/81/804632781.db2.gz PBZYBMUVTYXUIX-UHFFFAOYSA-N -1 3 292.338 3.025 20 0 CGADHM O=C(Nc1ccccc1-c1cccs1)c1cc(=O)[n-]cn1 ZINC001141397568 804638950 /nfs/dbraw/zinc/63/89/50/804638950.db2.gz LECQUHNVLJWYTR-UHFFFAOYSA-N -1 3 297.339 3.163 20 0 CGADHM Cc1ccc(F)c(Nc2cc(F)cc(F)c2[O-])n1 ZINC001212482043 815035794 /nfs/dbraw/zinc/03/57/94/815035794.db2.gz XPAOYQTZHGBCPM-UHFFFAOYSA-N -1 3 254.211 3.257 20 0 CGADHM Cc1cc(Nc2cc(F)cc(F)c2[O-])n(C(C)C)n1 ZINC001212477840 815034314 /nfs/dbraw/zinc/03/43/14/815034314.db2.gz NUJTVYDJMNMHHO-UHFFFAOYSA-N -1 3 267.279 3.500 20 0 CGADHM CC(C)O[C@@H]1CCN(Cc2ccc(Cl)cc2C(=O)[O-])C1 ZINC001142664013 804751226 /nfs/dbraw/zinc/75/12/26/804751226.db2.gz ZHYQQGPLDMYSQI-CYBMUJFWSA-N -1 3 297.782 3.038 20 0 CGADHM O=C(Nc1cc2ccccc2cc1[O-])C(=O)c1ccccc1 ZINC001142688257 804758209 /nfs/dbraw/zinc/75/82/09/804758209.db2.gz JRHWLYXHFKVWFJ-UHFFFAOYSA-N -1 3 291.306 3.367 20 0 CGADHM CC(C)c1ccc(C(=O)NN2CCCC[C@H]2C)c([O-])c1 ZINC001144070655 804933046 /nfs/dbraw/zinc/93/30/46/804933046.db2.gz OKWNZNFXLKXDEP-GFCCVEGCSA-N -1 3 276.380 3.035 20 0 CGADHM [O-]c1cc(Nc2cc3cccnc3[nH]2)c(F)cc1F ZINC001248716091 804975329 /nfs/dbraw/zinc/97/53/29/804975329.db2.gz VJDMRKHDEUFPAH-UHFFFAOYSA-N -1 3 261.231 3.290 20 0 CGADHM C[C@@H]1C[C@@H](C)CN(Cc2c(F)cc([O-])cc2F)C1 ZINC001144559107 805004197 /nfs/dbraw/zinc/00/41/97/805004197.db2.gz INIKXZKFLMNUAP-NXEZZACHSA-N -1 3 255.308 3.148 20 0 CGADHM CC[C@H]1CCCCN1Cc1c(F)cc([O-])cc1F ZINC001144559938 805007418 /nfs/dbraw/zinc/00/74/18/805007418.db2.gz SJEPDCUWXVMKRG-JTQLQIEISA-N -1 3 255.308 3.435 20 0 CGADHM C[C@]1(F)CCCCN(Cc2sccc2C(=O)[O-])C1 ZINC001144664239 805028342 /nfs/dbraw/zinc/02/83/42/805028342.db2.gz BKPVQFYJVJXYMB-ZDUSSCGKSA-N -1 3 271.357 3.160 20 0 CGADHM O=C([O-])c1ccsc1CN1CC[C@H]1c1ccccc1 ZINC001144677547 805031156 /nfs/dbraw/zinc/03/11/56/805031156.db2.gz UURNKCCIQAAEJK-ZDUSSCGKSA-N -1 3 273.357 3.393 20 0 CGADHM CCc1ccc(CCNC(=O)c2ccc(CC)cc2[O-])cc1 ZINC001147326155 805121990 /nfs/dbraw/zinc/12/19/90/805121990.db2.gz QLYXHATYOKDRPH-UHFFFAOYSA-N -1 3 297.398 3.490 20 0 CGADHM CCc1cccc(C(=O)Nc2cccc3c2OCC3)c1[O-] ZINC001147452117 805130627 /nfs/dbraw/zinc/13/06/27/805130627.db2.gz MKKKCRRYJPZMNK-UHFFFAOYSA-N -1 3 283.327 3.142 20 0 CGADHM Cc1ccc(C(=O)Nc2c(C)cc(O)cc2C)c([O-])c1 ZINC001148500406 805190949 /nfs/dbraw/zinc/19/09/49/805190949.db2.gz NDBAJZGQTKLYNJ-UHFFFAOYSA-N -1 3 271.316 3.275 20 0 CGADHM CC(=O)c1cc(C(=O)Nc2ccc3c(c2)N=NC3)ccc1[O-] ZINC001148664590 805204163 /nfs/dbraw/zinc/20/41/63/805204163.db2.gz PPBMMCJKZBWUBQ-UHFFFAOYSA-N -1 3 295.298 3.444 20 0 CGADHM Cn1ncc2cc(Nc3nc4c(cccc4[O-])s3)cnc21 ZINC001249660032 805206721 /nfs/dbraw/zinc/20/67/21/805206721.db2.gz UVDPZORHHYJDTE-UHFFFAOYSA-N -1 3 297.343 3.027 20 0 CGADHM COc1cc(Nc2cccc(Cl)c2[O-])ccc1N ZINC001249720519 805224004 /nfs/dbraw/zinc/22/40/04/805224004.db2.gz RXUXDVGJGQCTSV-UHFFFAOYSA-N -1 3 264.712 3.380 20 0 CGADHM CN(Cc1ccc(F)c(C(=O)[O-])c1F)CC(C)(C)C ZINC001249773672 805240413 /nfs/dbraw/zinc/24/04/13/805240413.db2.gz MXJXHDZYQURXHE-UHFFFAOYSA-N -1 3 271.307 3.141 20 0 CGADHM O=C([O-])c1c(F)ccc(CN2CCC[C@@H]3CCC[C@H]32)c1F ZINC001249775894 805242604 /nfs/dbraw/zinc/24/26/04/805242604.db2.gz GMPQBRLQGPVRAL-GXFFZTMASA-N -1 3 295.329 3.428 20 0 CGADHM O=C(NCc1ccc([O-])c(F)c1)c1cscc1Cl ZINC001150365779 805257695 /nfs/dbraw/zinc/25/76/95/805257695.db2.gz FACZYEHGTIBBMF-UHFFFAOYSA-N -1 3 285.727 3.176 20 0 CGADHM COc1cccc(C(C)=O)c1Nc1cccc([O-])c1F ZINC001212552394 815065054 /nfs/dbraw/zinc/06/50/54/815065054.db2.gz POFSHSTUVYHCJZ-UHFFFAOYSA-N -1 3 275.279 3.486 20 0 CGADHM O=c1cc(Nc2ccc(-c3ncco3)cc2)nc(C2CC2)[n-]1 ZINC001249925122 805307978 /nfs/dbraw/zinc/30/79/78/805307978.db2.gz WXBBHQWCKXMZEJ-UHFFFAOYSA-N -1 3 294.314 3.458 20 0 CGADHM CCc1ccc(C(=O)NCCSC(C)(C)C)c([O-])c1 ZINC001151873653 805320043 /nfs/dbraw/zinc/32/00/43/805320043.db2.gz HSEODTULQJMUPT-UHFFFAOYSA-N -1 3 281.421 3.216 20 0 CGADHM COc1ccc(Nc2cccc([O-])c2F)c(C(C)=O)c1 ZINC001212554511 815066152 /nfs/dbraw/zinc/06/61/52/815066152.db2.gz XPTOLKDDPQDUDY-UHFFFAOYSA-N -1 3 275.279 3.486 20 0 CGADHM CN1Cc2ccc(Nc3ccc([O-])c(Cl)c3)cc2C1=O ZINC001249981984 805342718 /nfs/dbraw/zinc/34/27/18/805342718.db2.gz KJWDISGAOCJFMO-UHFFFAOYSA-N -1 3 288.734 3.375 20 0 CGADHM COc1cccc(C(=O)Nc2cscc2Cl)c1[O-] ZINC001154002738 805425879 /nfs/dbraw/zinc/42/58/79/805425879.db2.gz RYCFEDOHEQZUAA-UHFFFAOYSA-N -1 3 283.736 3.368 20 0 CGADHM O=C(Nc1cncc([O-])c1)c1ccc2ccccc2c1F ZINC001154291512 805447032 /nfs/dbraw/zinc/44/70/32/805447032.db2.gz UHPZBTKLDNOEPT-UHFFFAOYSA-N -1 3 282.274 3.332 20 0 CGADHM [O-]c1cccc(Cc2ccc3c(c2)OCO3)c1Cl ZINC001250155773 805449002 /nfs/dbraw/zinc/44/90/02/805449002.db2.gz XPEAFELDTHTXFJ-UHFFFAOYSA-N -1 3 262.692 3.365 20 0 CGADHM Cn1ncc2cc(Nc3ccc(Cl)c([O-])c3)cnc21 ZINC001212589291 815078774 /nfs/dbraw/zinc/07/87/74/815078774.db2.gz DUCCGOKWGDKMCI-UHFFFAOYSA-N -1 3 274.711 3.071 20 0 CGADHM [O-]c1cc(Nc2nonc2C2CC2)ccc1Cl ZINC001212590386 815078818 /nfs/dbraw/zinc/07/88/18/815078818.db2.gz KFMACHOTUXKDSM-UHFFFAOYSA-N -1 3 251.673 3.050 20 0 CGADHM [O-]c1cc(Nc2cn3ccccc3n2)ccc1Cl ZINC001212590512 815079109 /nfs/dbraw/zinc/07/91/09/815079109.db2.gz PVMMTLJQAOCDCS-UHFFFAOYSA-N -1 3 259.696 3.437 20 0 CGADHM Cc1nc2ccc(N)cc2n1-c1ccc(Cl)c([O-])c1 ZINC001212592181 815079675 /nfs/dbraw/zinc/07/96/75/815079675.db2.gz CIBNCRITQQADLH-UHFFFAOYSA-N -1 3 273.723 3.275 20 0 CGADHM COC(=O)c1ccc(Nc2ccc(Cl)c([O-])c2)c(O)c1 ZINC001212592588 815079807 /nfs/dbraw/zinc/07/98/07/815079807.db2.gz XKDMZNBAAOSDHS-UHFFFAOYSA-N -1 3 293.706 3.281 20 0 CGADHM COC(=O)c1cc(N)cc(Nc2ccc(Cl)c([O-])c2)c1 ZINC001212592639 815079920 /nfs/dbraw/zinc/07/99/20/815079920.db2.gz ZVXUYTCBFHXSQL-UHFFFAOYSA-N -1 3 292.722 3.158 20 0 CGADHM Nc1cccc2ncn(-c3c(F)ccc([O-])c3Cl)c21 ZINC001250232753 805508005 /nfs/dbraw/zinc/50/80/05/805508005.db2.gz BOENCEXAZPBSTD-UHFFFAOYSA-N -1 3 277.686 3.106 20 0 CGADHM COc1cc([O-])c(-c2nnc(CC(C)(C)C)o2)cc1OC ZINC001257897923 807246697 /nfs/dbraw/zinc/24/66/97/807246697.db2.gz CIZKFQHIRMMPGW-UHFFFAOYSA-N -1 3 292.335 3.048 20 0 CGADHM Cc1cc(-c2noc(-c3cncc([O-])c3)n2)ccc1Cl ZINC001212708830 815110476 /nfs/dbraw/zinc/11/04/76/815110476.db2.gz RHZBXTPQJMEMMI-UHFFFAOYSA-N -1 3 287.706 3.466 20 0 CGADHM COC(=O)c1sc2cccnc2c1[N-]c1conc1C ZINC001212718665 815113016 /nfs/dbraw/zinc/11/30/16/815113016.db2.gz UJAIVZLYELQVFH-UHFFFAOYSA-N -1 3 289.316 3.123 20 0 CGADHM CC1(C)C[C@H](CNc2[n-]c(=O)c(Cl)cc2Cl)O1 ZINC001168450410 807418451 /nfs/dbraw/zinc/41/84/51/807418451.db2.gz OVUOXEOJWSZNHG-ZCFIWIBFSA-N -1 3 277.151 3.073 20 0 CGADHM CC[C@@H](C)C[C@@H](C)Nc1ccc(C)c(-c2nnn[n-]2)c1 ZINC001168695787 807485730 /nfs/dbraw/zinc/48/57/30/807485730.db2.gz VWAPRSQLCFDKJE-ZYHUDNBSSA-N -1 3 273.384 3.412 20 0 CGADHM CC[C@@H](C)C[C@@H](C)Nc1ccc(C)c(-c2nn[n-]n2)c1 ZINC001168695787 807485736 /nfs/dbraw/zinc/48/57/36/807485736.db2.gz VWAPRSQLCFDKJE-ZYHUDNBSSA-N -1 3 273.384 3.412 20 0 CGADHM [O-]c1cc(F)c(Nc2cc(F)cc(CO)c2)c(F)c1 ZINC001212749692 815125347 /nfs/dbraw/zinc/12/53/47/815125347.db2.gz SGZPTYPUJAYGNM-UHFFFAOYSA-N -1 3 269.222 3.045 20 0 CGADHM Cc1ccc(N[C@H]2CCCC(F)(F)C2)cc1-c1nnn[n-]1 ZINC001169218492 807606498 /nfs/dbraw/zinc/60/64/98/807606498.db2.gz KQUMWHAOPIFNKR-NSHDSACASA-N -1 3 293.321 3.165 20 0 CGADHM Cc1ccc(N[C@H]2CCCC(F)(F)C2)cc1-c1nn[n-]n1 ZINC001169218492 807606505 /nfs/dbraw/zinc/60/65/05/807606505.db2.gz KQUMWHAOPIFNKR-NSHDSACASA-N -1 3 293.321 3.165 20 0 CGADHM CCc1ccc(C)nc1[N-]S(=O)(=O)C1CCCCC1 ZINC001259807895 807688617 /nfs/dbraw/zinc/68/86/17/807688617.db2.gz NJSGQYRVUPXMRR-UHFFFAOYSA-N -1 3 282.409 3.027 20 0 CGADHM O=S(=O)([N-]c1ncccc1C1CC1)C1CCCCC1 ZINC001259809974 807689662 /nfs/dbraw/zinc/68/96/62/807689662.db2.gz OQHPWNVRKISAIV-UHFFFAOYSA-N -1 3 280.393 3.033 20 0 CGADHM Cc1ccc([N-]S(=O)(=O)Cc2ccccc2F)c(F)c1 ZINC001260621236 807698092 /nfs/dbraw/zinc/69/80/92/807698092.db2.gz DDQCTGBFQQRUHD-UHFFFAOYSA-N -1 3 297.326 3.215 20 0 CGADHM Cc1cn(C)c2ccc(NCc3ncccc3[O-])cc12 ZINC001169737505 807701496 /nfs/dbraw/zinc/70/14/96/807701496.db2.gz SASMOCGDUOPESE-UHFFFAOYSA-N -1 3 267.332 3.199 20 0 CGADHM COc1ccc(Cl)c2c1C[C@@H](NC1=CC=C[CH]1)CC2 ZINC001171298140 808021525 /nfs/dbraw/zinc/02/15/25/808021525.db2.gz GICHHIAWQLRVHN-LBPRGKRZSA-N -1 3 274.771 3.453 20 0 CGADHM Cc1nc(Nc2c3cc[nH]c3c(F)cc2C)cc(=O)[n-]1 ZINC001212973454 815193319 /nfs/dbraw/zinc/19/33/19/815193319.db2.gz YIFOGHCETCECAT-UHFFFAOYSA-N -1 3 272.283 3.163 20 0 CGADHM [O-]c1cc(F)cnc1Nc1cc(F)nc(C(F)(F)F)c1 ZINC001213006770 815197271 /nfs/dbraw/zinc/19/72/71/815197271.db2.gz BOYSCGKPKRZCPQ-UHFFFAOYSA-N -1 3 291.179 3.223 20 0 CGADHM [O-]c1cc(Br)cnc1Nc1ccccc1F ZINC001173847877 808709003 /nfs/dbraw/zinc/70/90/03/808709003.db2.gz JCYYKQPBJTVZKI-UHFFFAOYSA-N -1 3 283.100 3.432 20 0 CGADHM COc1ccc(Nc2cc(=O)n(-c3ccccc3)[n-]2)cc1F ZINC001173863054 808721801 /nfs/dbraw/zinc/72/18/01/808721801.db2.gz WDJWRDDQGCTSHL-UHFFFAOYSA-N -1 3 299.305 3.469 20 0 CGADHM CC(=O)NCc1cccc(Nc2ccc([O-])c(Cl)c2)c1 ZINC001174369463 808979907 /nfs/dbraw/zinc/97/99/07/808979907.db2.gz SGPGCOSCBRZXLV-UHFFFAOYSA-N -1 3 290.750 3.425 20 0 CGADHM Cc1ncc(Nc2ccc3c(c2)ncn3C(C)C)c(=O)[n-]1 ZINC001174382448 808985629 /nfs/dbraw/zinc/98/56/29/808985629.db2.gz QFUHNTCRFHIISN-UHFFFAOYSA-N -1 3 283.335 3.165 20 0 CGADHM COc1cc(Nc2cccc([O-])c2Cl)cnc1OC ZINC001174548387 809078543 /nfs/dbraw/zinc/07/85/43/809078543.db2.gz VOHHGOYDNTZHIR-UHFFFAOYSA-N -1 3 280.711 3.201 20 0 CGADHM Cc1cc(O)ccc1Nc1c(F)cc([O-])cc1F ZINC001174566180 809086918 /nfs/dbraw/zinc/08/69/18/809086918.db2.gz QYFILSOCTXGYFH-UHFFFAOYSA-N -1 3 251.232 3.428 20 0 CGADHM [O-]c1cc(F)c(Nc2cc(F)ccc2O)c(F)c1 ZINC001174629341 809110113 /nfs/dbraw/zinc/11/01/13/809110113.db2.gz GDMZYBWNGYVPID-UHFFFAOYSA-N -1 3 255.195 3.259 20 0 CGADHM CN(C)c1nc(Nc2ccc(C(F)(F)F)cc2)cc(=O)[n-]1 ZINC001174771563 809160571 /nfs/dbraw/zinc/16/05/71/809160571.db2.gz HCGRZQYAZOLJKC-UHFFFAOYSA-N -1 3 298.268 3.011 20 0 CGADHM Cc1cc(Nc2ccc(C)c([O-])c2Cl)n(C)n1 ZINC001174824966 809172825 /nfs/dbraw/zinc/17/28/25/809172825.db2.gz ZAUSWWIXYMHBIN-UHFFFAOYSA-N -1 3 251.717 3.140 20 0 CGADHM CN(C)c1cccc(Nc2cc([O-])c(F)cc2F)c1 ZINC001174961887 809217023 /nfs/dbraw/zinc/21/70/23/809217023.db2.gz DQVYQGPEPYFIKF-UHFFFAOYSA-N -1 3 264.275 3.480 20 0 CGADHM CC1(C)COc2cc(Nc3cc(F)c([O-])c(F)c3)nn2C1 ZINC001213377741 815272810 /nfs/dbraw/zinc/27/28/10/815272810.db2.gz ZVQZJJSKRJMXIJ-UHFFFAOYSA-N -1 3 295.289 3.029 20 0 CGADHM [O-]c1c(F)cc(Nc2ccc(F)cc2CO)cc1F ZINC001213386774 815275445 /nfs/dbraw/zinc/27/54/45/815275445.db2.gz UXPNPJVHICHBAY-UHFFFAOYSA-N -1 3 269.222 3.045 20 0 CGADHM [O-]c1cc(F)c(Nc2ccccc2C2OCCO2)c(F)c1 ZINC001175103118 809273162 /nfs/dbraw/zinc/27/31/62/809273162.db2.gz UASPMGBPVQNVKV-UHFFFAOYSA-N -1 3 293.269 3.459 20 0 CGADHM [O-]c1ccc(F)c(Nc2ncc(F)cc2F)c1F ZINC001175263309 809330155 /nfs/dbraw/zinc/33/01/55/809330155.db2.gz RWSUBPILEMXLJJ-UHFFFAOYSA-N -1 3 258.174 3.087 20 0 CGADHM [O-]c1ccc(F)c(Nc2ncccc2N2CCCC2)c1F ZINC001175265541 809330970 /nfs/dbraw/zinc/33/09/70/809330970.db2.gz FXSCUYACUNKPIB-UHFFFAOYSA-N -1 3 291.301 3.409 20 0 CGADHM COc1cc(Cl)nc(Nc2c(F)ccc([O-])c2F)c1 ZINC001175265235 809331159 /nfs/dbraw/zinc/33/11/59/809331159.db2.gz DYWJESACLHFVOL-UHFFFAOYSA-N -1 3 286.665 3.471 20 0 CGADHM CC(=O)c1cccc(Nc2c(F)ccc([O-])c2F)c1O ZINC001175268493 809332255 /nfs/dbraw/zinc/33/22/55/809332255.db2.gz QRQWNKDGRBBXQU-UHFFFAOYSA-N -1 3 279.242 3.322 20 0 CGADHM [O-]c1ccc(F)c(Nc2cccc(CO)c2F)c1F ZINC001175268741 809332523 /nfs/dbraw/zinc/33/25/23/809332523.db2.gz SACJLBJTZXMGRY-UHFFFAOYSA-N -1 3 269.222 3.045 20 0 CGADHM [O-]c1ccc(F)c(Nc2cccc(F)c2O)c1F ZINC001175267913 809333510 /nfs/dbraw/zinc/33/35/10/809333510.db2.gz CKBWJLRCIMNMMJ-UHFFFAOYSA-N -1 3 255.195 3.259 20 0 CGADHM [O-]c1ccc(F)c(Nc2ccc3c(c2)[C@H](O)CC3)c1F ZINC001175270494 809333877 /nfs/dbraw/zinc/33/38/77/809333877.db2.gz CCCYJENGAKNSKM-GFCCVEGCSA-N -1 3 277.270 3.394 20 0 CGADHM COc1cc(O)ccc1Nc1c(F)ccc([O-])c1F ZINC001175269468 809334672 /nfs/dbraw/zinc/33/46/72/809334672.db2.gz FZZKFKACWIPEKM-UHFFFAOYSA-N -1 3 267.231 3.128 20 0 CGADHM Fc1ccc(F)c(-c2noc(-c3cc(Cl)n[n-]3)n2)c1 ZINC001213500998 815291955 /nfs/dbraw/zinc/29/19/55/815291955.db2.gz WGIOFWNZTDJIQB-UHFFFAOYSA-N -1 3 282.637 3.058 20 0 CGADHM O=Cc1ccc(C(=O)Nc2cc(Cl)ccc2[O-])s1 ZINC001295351708 809485456 /nfs/dbraw/zinc/48/54/56/809485456.db2.gz ZCDOXYPCDSXFRW-UHFFFAOYSA-N -1 3 281.720 3.172 20 0 CGADHM CC(C)c1nnc([N-]c2ccc3ccncc3c2)o1 ZINC001175701588 809512936 /nfs/dbraw/zinc/51/29/36/809512936.db2.gz NINDYQZILKYVTI-UHFFFAOYSA-N -1 3 254.293 3.485 20 0 CGADHM CCc1ccc(C(=O)NC[C@H]2CC[C@H](C)C2)c([O-])c1 ZINC001297382501 809517642 /nfs/dbraw/zinc/51/76/42/809517642.db2.gz VDWYMCKKEVTYLP-AAEUAGOBSA-N -1 3 261.365 3.121 20 0 CGADHM CCc1ccc(C(=O)Nc2cncc(SC)c2)c([O-])c1 ZINC001299588404 809553199 /nfs/dbraw/zinc/55/31/99/809553199.db2.gz ZMWGWGHTJGLPGU-UHFFFAOYSA-N -1 3 288.372 3.324 20 0 CGADHM [O-]c1cccc(Nc2ccc(F)cn2)c1Br ZINC001175852742 809558913 /nfs/dbraw/zinc/55/89/13/809558913.db2.gz PZKIXZMEKSBSNE-UHFFFAOYSA-N -1 3 283.100 3.432 20 0 CGADHM Cc1cccc(C(=O)C(=O)Nc2ccc([O-])cc2Cl)c1 ZINC001300699194 809573052 /nfs/dbraw/zinc/57/30/52/809573052.db2.gz IWAAMFDZLPBJRD-UHFFFAOYSA-N -1 3 289.718 3.175 20 0 CGADHM CC1(C)CCCC[C@@H]1CC(=O)[N-]OCC1CCC1 ZINC001301102441 809579136 /nfs/dbraw/zinc/57/91/36/809579136.db2.gz FEPMYZUXKNBRAI-CYBMUJFWSA-N -1 3 253.386 3.441 20 0 CGADHM COc1ccc(Nc2cccc(Cl)c2[O-])cc1CO ZINC001175986048 809592193 /nfs/dbraw/zinc/59/21/93/809592193.db2.gz QLVUWTSPBMALJA-UHFFFAOYSA-N -1 3 279.723 3.290 20 0 CGADHM Cc1cc(C)cc(CCC(=O)[N-]Oc2ccccc2F)c1 ZINC001303332784 809608289 /nfs/dbraw/zinc/60/82/89/809608289.db2.gz NISVXVKGWUVXQT-UHFFFAOYSA-N -1 3 287.334 3.485 20 0 CGADHM COCc1ccc(C)c(Nc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC001213571364 815304310 /nfs/dbraw/zinc/30/43/10/815304310.db2.gz UQJPQBMIHPRPES-UHFFFAOYSA-N -1 3 285.347 3.258 20 0 CGADHM COCc1ccc(C)c([N-]c2nnc(C(C)C)o2)c1 ZINC001213571264 815304364 /nfs/dbraw/zinc/30/43/64/815304364.db2.gz OJYQLESQAMEZOM-UHFFFAOYSA-N -1 3 261.325 3.391 20 0 CGADHM Cc1ccc2ccc(F)c(Nc3cnc(C)[n-]c3=O)c2n1 ZINC001176115100 809625646 /nfs/dbraw/zinc/62/56/46/809625646.db2.gz GLBMRWYXGADGHI-UHFFFAOYSA-N -1 3 284.294 3.230 20 0 CGADHM CCc1cc(Nc2ccc(C(N)=O)c([O-])c2)ccc1Cl ZINC001176393184 809684800 /nfs/dbraw/zinc/68/48/00/809684800.db2.gz JRBDKQGLUORDDJ-UHFFFAOYSA-N -1 3 290.750 3.451 20 0 CGADHM Cc1ccc([O-])c(-c2nc(-c3ccc(F)cc3F)no2)n1 ZINC001213698426 815323482 /nfs/dbraw/zinc/32/34/82/815323482.db2.gz WGWMJPFLSXDVGK-UHFFFAOYSA-N -1 3 289.241 3.091 20 0 CGADHM C[C@@H](CC(F)(F)F)C(=O)Nc1ccc(F)c([O-])c1 ZINC001179864797 809952985 /nfs/dbraw/zinc/95/29/85/809952985.db2.gz JTZFQUPSVGQMLO-LURJTMIESA-N -1 3 265.206 3.058 20 0 CGADHM CC(=O)c1cccc([O-])c1NC(=O)C[C@H](C)C(F)(F)F ZINC001180089865 809973367 /nfs/dbraw/zinc/97/33/67/809973367.db2.gz VSNXXINGAFLOJJ-ZETCQYMHSA-N -1 3 289.253 3.122 20 0 CGADHM Cc1cccc(CC(=O)Nc2ccc(F)c([O-])c2)c1C ZINC001183256933 810142955 /nfs/dbraw/zinc/14/29/55/810142955.db2.gz AWLBDCYJODIJRZ-UHFFFAOYSA-N -1 3 273.307 3.329 20 0 CGADHM Cc1nc(NC(=O)[C@H]2CC[C@H](C(C)(C)C)CC2)cc(=O)[n-]1 ZINC001184214713 810183112 /nfs/dbraw/zinc/18/31/12/810183112.db2.gz JFSOUVJHPRMYCY-HAQNSBGRSA-N -1 3 291.395 3.282 20 0 CGADHM CCOC(=O)c1ccc(-c2nc(-c3ccccc3C)no2)[n-]1 ZINC001213977217 815354767 /nfs/dbraw/zinc/35/47/67/815354767.db2.gz RLICQMMUFFSJHG-UHFFFAOYSA-N -1 3 297.314 3.217 20 0 CGADHM O=C([N-]c1cc(-c2cccs2)no1)Nc1cccnc1 ZINC001185656706 810281941 /nfs/dbraw/zinc/28/19/41/810281941.db2.gz RMLLIKPICYGDDS-UHFFFAOYSA-N -1 3 286.316 3.442 20 0 CGADHM O=S(=O)([N-]C1CCC2(CCCC2)CC1)c1ccco1 ZINC001186868801 810367820 /nfs/dbraw/zinc/36/78/20/810367820.db2.gz YHDNRDZZLOJVBN-UHFFFAOYSA-N -1 3 283.393 3.061 20 0 CGADHM O=c1[n-]c(-c2nc(-c3cccc4ccoc43)no2)ccc1F ZINC001214085666 815366280 /nfs/dbraw/zinc/36/62/80/815366280.db2.gz UJDXZAVGUAWPGN-UHFFFAOYSA-N -1 3 297.245 3.390 20 0 CGADHM O=C(Nc1ccc(F)c([O-])c1)Nc1cc(F)cc(F)c1 ZINC001187569905 810405376 /nfs/dbraw/zinc/40/53/76/810405376.db2.gz AFCSXDIOCVZPBK-UHFFFAOYSA-N -1 3 282.221 3.454 20 0 CGADHM Cc1cc(NC(=O)c2c(C)cccc2[O-])n(C2CCC2)n1 ZINC001188640174 810497075 /nfs/dbraw/zinc/49/70/75/810497075.db2.gz IBRKCTDZWIAIGF-UHFFFAOYSA-N -1 3 285.347 3.183 20 0 CGADHM O=S(=O)(CC1CC1)[N-]c1c(Cl)ccc2cccnc21 ZINC001188973172 810530268 /nfs/dbraw/zinc/53/02/68/810530268.db2.gz CCGPWUWDZUXOPG-UHFFFAOYSA-N -1 3 296.779 3.040 20 0 CGADHM O=C(Nc1cccc(Cl)c1Cl)Nc1cnc[n-]c1=O ZINC001189202104 810548618 /nfs/dbraw/zinc/54/86/18/810548618.db2.gz MBUJTYHIDFUJKR-UHFFFAOYSA-N -1 3 299.117 3.133 20 0 CGADHM O=C([N-]c1cc(-c2ccccc2)no1)Nc1ccccn1 ZINC001191299009 810699498 /nfs/dbraw/zinc/69/94/98/810699498.db2.gz HKWOLOJMNDAIMS-UHFFFAOYSA-N -1 3 280.287 3.381 20 0 CGADHM C[C@H](O)c1ccc(C(=O)Nc2cc([O-])cc(Cl)c2)cc1 ZINC001192362593 810790850 /nfs/dbraw/zinc/79/08/50/810790850.db2.gz OGQPRFDCWPJAPX-VIFPVBQESA-N -1 3 291.734 3.351 20 0 CGADHM CC[C@@H]([N-]S(=O)(=O)c1cc(C)c(Cl)s1)C1CC1 ZINC001192637321 810813146 /nfs/dbraw/zinc/81/31/46/810813146.db2.gz WSSLXLWEECCKFK-SECBINFHSA-N -1 3 293.841 3.177 20 0 CGADHM Cc1cc(C(=O)Nc2ccc(F)c([O-])c2)n(C(C)(C)C)n1 ZINC001192727359 810817825 /nfs/dbraw/zinc/81/78/25/810817825.db2.gz APPMPWIOKXCHLN-UHFFFAOYSA-N -1 3 291.326 3.044 20 0 CGADHM COCOc1ccc(C)c([N-]c2nnc(C(C)C)o2)c1 ZINC001214356738 815401254 /nfs/dbraw/zinc/40/12/54/815401254.db2.gz BPGQYMSYJHLGJA-UHFFFAOYSA-N -1 3 277.324 3.228 20 0 CGADHM Nc1ccccc1C(=S)Nc1ccc(Cl)cc1[O-] ZINC001214412021 815405964 /nfs/dbraw/zinc/40/59/64/815405964.db2.gz ZQKUMKRCJXKUNI-UHFFFAOYSA-N -1 3 278.764 3.415 20 0 CGADHM CN(C(=O)c1ccc([O-])cc1C(F)(F)F)C(C)(C)C ZINC001193749110 810948532 /nfs/dbraw/zinc/94/85/32/810948532.db2.gz JCNKQXFSBPBKMH-UHFFFAOYSA-N -1 3 275.270 3.282 20 0 CGADHM Cc1cc(O)cc([O-])c1C(=O)N(C)[C@H]1CCc2ccccc21 ZINC001193936579 810982157 /nfs/dbraw/zinc/98/21/57/810982157.db2.gz OKJVGMQCEVFYFF-HNNXBMFYSA-N -1 3 297.354 3.166 20 0 CGADHM COc1ccc(OC(=O)Nc2ccc([O-])c(F)c2)cc1 ZINC001194532789 811087495 /nfs/dbraw/zinc/08/74/95/811087495.db2.gz FBFSRAKYGOSKGA-UHFFFAOYSA-N -1 3 277.251 3.151 20 0 CGADHM Cc1cccc(C)c1S(=O)(=O)[N-]c1cccc(F)c1F ZINC001194602513 811092553 /nfs/dbraw/zinc/09/25/53/811092553.db2.gz GYMMQDZORHOFRT-UHFFFAOYSA-N -1 3 297.326 3.382 20 0 CGADHM O=c1ccc(Nc2c(Cl)ccc([O-])c2F)c[nH]1 ZINC001214554277 815423450 /nfs/dbraw/zinc/42/34/50/815423450.db2.gz OVSKVMUQJWHBGK-UHFFFAOYSA-N -1 3 254.648 3.029 20 0 CGADHM Oc1ccc(Cl)c([N-]c2noc3cccnc32)c1F ZINC001214554405 815423460 /nfs/dbraw/zinc/42/34/60/815423460.db2.gz PZVPHWFNQAPTAM-UHFFFAOYSA-N -1 3 279.658 3.465 20 0 CGADHM Cc1cnc(Nc2c(Cl)ccc([O-])c2F)cn1 ZINC001214554447 815423508 /nfs/dbraw/zinc/42/35/08/815423508.db2.gz RISDWKYXHVPINN-UHFFFAOYSA-N -1 3 253.664 3.027 20 0 CGADHM NC(=O)c1ccc(Nc2c(Cl)ccc([O-])c2F)cc1F ZINC001214564493 815424673 /nfs/dbraw/zinc/42/46/73/815424673.db2.gz DMLHOAOBKXLVNY-UHFFFAOYSA-N -1 3 298.676 3.166 20 0 CGADHM Nc1cccc(O)c1Nc1c(F)c([O-])ccc1Cl ZINC001214563903 815424705 /nfs/dbraw/zinc/42/47/05/815424705.db2.gz YLGLHTWQCAWKCT-UHFFFAOYSA-N -1 3 268.675 3.216 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2cc(-c3ccccc3)c[nH]2)n1 ZINC001195643342 811273202 /nfs/dbraw/zinc/27/32/02/811273202.db2.gz YVDTVCFLLUUORE-UHFFFAOYSA-N -1 3 293.326 3.343 20 0 CGADHM Cc1nc(NC2=CC[C@@H](C(F)(F)F)CC2)cc(=O)[n-]1 ZINC001196769207 811365749 /nfs/dbraw/zinc/36/57/49/811365749.db2.gz ZTXLVSHSYMLXGI-MRVPVSSYSA-N -1 3 273.258 3.149 20 0 CGADHM CCOc1ccc(C(=O)Nc2ncccc2[O-])cc1CC ZINC001198175749 811481936 /nfs/dbraw/zinc/48/19/36/811481936.db2.gz MOSJACUKGDEDTG-UHFFFAOYSA-N -1 3 286.331 3.001 20 0 CGADHM CCCCNC(=S)Nc1ccc([O-])c(Cl)c1 ZINC001200458811 811694951 /nfs/dbraw/zinc/69/49/51/811694951.db2.gz CBWRWYQNIMGMHC-UHFFFAOYSA-N -1 3 258.774 3.132 20 0 CGADHM [O-]c1cncc(NC(=S)Nc2cccc(Cl)c2)c1 ZINC001201094646 811784416 /nfs/dbraw/zinc/78/44/16/811784416.db2.gz NIZKKGQNNXXVRZ-UHFFFAOYSA-N -1 3 279.752 3.250 20 0 CGADHM COc1ccc(F)cc1-c1noc(-c2ccccc2[O-])n1 ZINC001215142221 815487973 /nfs/dbraw/zinc/48/79/73/815487973.db2.gz RHIHHFBIUOKUOP-UHFFFAOYSA-N -1 3 286.262 3.257 20 0 CGADHM COc1ncc(-c2noc(-c3ccc(C)cc3[O-])n2)cc1C ZINC001215296951 815504387 /nfs/dbraw/zinc/50/43/87/815504387.db2.gz HMGKINLQJZDMEV-UHFFFAOYSA-N -1 3 297.314 3.130 20 0 CGADHM Cn1cc(Nc2ncc(F)cc2[O-])c2ccccc21 ZINC001203420182 812351310 /nfs/dbraw/zinc/35/13/10/812351310.db2.gz YXBWWJFOUMLRSB-UHFFFAOYSA-N -1 3 257.268 3.162 20 0 CGADHM Cc1nc(Nc2ccc(Cl)c(C)c2F)cc(=O)[n-]1 ZINC001215524641 815529737 /nfs/dbraw/zinc/52/97/37/815529737.db2.gz RNZVFOABMYHGEU-UHFFFAOYSA-N -1 3 267.691 3.335 20 0 CGADHM Cn1cnc2cc(Nc3cc(F)c([O-])cc3F)ccc21 ZINC001215573671 815538445 /nfs/dbraw/zinc/53/84/45/815538445.db2.gz NDIYRYQSOVBADE-UHFFFAOYSA-N -1 3 275.258 3.301 20 0 CGADHM [O-]c1cc(F)c(Nc2ncc(F)cc2F)cc1F ZINC001215570771 815536202 /nfs/dbraw/zinc/53/62/02/815536202.db2.gz NHPBZCMURIHWSZ-UHFFFAOYSA-N -1 3 258.174 3.087 20 0 CGADHM Cc1cc(C)nc(Nc2cc(F)c([O-])cc2F)c1 ZINC001215570631 815536494 /nfs/dbraw/zinc/53/64/94/815536494.db2.gz WOCHZLYWCQCFRS-UHFFFAOYSA-N -1 3 250.248 3.426 20 0 CGADHM Cn1cc(Nc2cc(F)c([O-])cc2F)c(C(F)(F)F)n1 ZINC001215571082 815537245 /nfs/dbraw/zinc/53/72/45/815537245.db2.gz WOGLLMDQGRIULS-UHFFFAOYSA-N -1 3 293.195 3.166 20 0 CGADHM CC(=O)c1ccncc1Nc1cc(F)c([O-])cc1F ZINC001215571104 815537464 /nfs/dbraw/zinc/53/74/64/815537464.db2.gz YBSRROZCXPMCFC-UHFFFAOYSA-N -1 3 264.231 3.012 20 0 CGADHM Nc1ccc(-c2nccn2-c2cc(F)c([O-])cc2F)cc1 ZINC001215573348 815538853 /nfs/dbraw/zinc/53/88/53/815538853.db2.gz GMFNCGRRAHWMRV-UHFFFAOYSA-N -1 3 287.269 3.105 20 0 CGADHM Nc1ccc2cn(-c3cc(F)c([O-])cc3F)nc2c1Cl ZINC001215577056 815539301 /nfs/dbraw/zinc/53/93/01/815539301.db2.gz RFXKYILTLCFYGV-UHFFFAOYSA-N -1 3 295.676 3.245 20 0 CGADHM Cc1ccc([N-]c2noc(C(C)(C)C)n2)c2c[nH]nc21 ZINC001215754316 815576771 /nfs/dbraw/zinc/57/67/71/815576771.db2.gz SWWXOYRORUQCHC-UHFFFAOYSA-N -1 3 271.324 3.295 20 0 CGADHM COc1cccc(Nc2cc(=O)[n-]c(C3CC3)n2)c1C ZINC001215798399 815595763 /nfs/dbraw/zinc/59/57/63/815595763.db2.gz YORIITAXJALRBF-UHFFFAOYSA-N -1 3 271.320 3.120 20 0 CGADHM CC(C)OC(=O)c1cccnc1-c1ccc([O-])cc1F ZINC001206044789 813179574 /nfs/dbraw/zinc/17/95/74/813179574.db2.gz TZHMDRHYHAYIAD-UHFFFAOYSA-N -1 3 275.279 3.159 20 0 CGADHM COC(=O)c1cc(-c2ccc([O-])cc2F)c(F)cc1OC ZINC001206064111 813187084 /nfs/dbraw/zinc/18/70/84/813187084.db2.gz ABGXCFZYINSPIF-UHFFFAOYSA-N -1 3 294.253 3.133 20 0 CGADHM Fc1cccnc1[N-]c1nc(-c2ccncc2)cs1 ZINC001209805724 814148289 /nfs/dbraw/zinc/14/82/89/814148289.db2.gz WLYSIHXLSUVHPW-UHFFFAOYSA-N -1 3 272.308 3.483 20 0 CGADHM Fc1cccnc1[N-]c1nc(Cl)cnc1Cl ZINC001209806528 814149491 /nfs/dbraw/zinc/14/94/91/814149491.db2.gz VVDFAMJOSPGVMQ-UHFFFAOYSA-N -1 3 259.071 3.061 20 0 CGADHM CCCOc1ccc(Nc2cnc(C)[n-]c2=O)cc1 ZINC001209864582 814175338 /nfs/dbraw/zinc/17/53/38/814175338.db2.gz FCZPLZBYWUUWPR-UHFFFAOYSA-N -1 3 259.309 3.023 20 0 CGADHM [O-]c1c(Cl)cccc1Nc1ccc(F)c(CO)c1 ZINC001209878727 814184979 /nfs/dbraw/zinc/18/49/79/814184979.db2.gz QIKCMNFOXBKTIN-UHFFFAOYSA-N -1 3 267.687 3.421 20 0 CGADHM O=C1NCCc2cc(Nc3ccc([O-])c(Cl)c3)ccc21 ZINC001210163868 814318025 /nfs/dbraw/zinc/31/80/25/814318025.db2.gz NQOLEBBGEJTNBZ-UHFFFAOYSA-N -1 3 288.734 3.075 20 0 CGADHM Nc1cc2cn(-c3cccc(F)c3[O-])nc2cc1Cl ZINC001210200082 814335702 /nfs/dbraw/zinc/33/57/02/814335702.db2.gz VYXQDLSWWFPIQA-UHFFFAOYSA-N -1 3 277.686 3.106 20 0 CGADHM COC(=O)c1ncsc1Nc1cccc(Cl)c1[O-] ZINC001210220173 814347929 /nfs/dbraw/zinc/34/79/29/814347929.db2.gz OMOADMKJVAPHJV-UHFFFAOYSA-N -1 3 284.724 3.032 20 0 CGADHM [O-]c1c(Cl)cccc1Nc1ccnn1Br ZINC001210221156 814349301 /nfs/dbraw/zinc/34/93/01/814349301.db2.gz VKKYBCMYYNNFEQ-UHFFFAOYSA-N -1 3 288.532 3.144 20 0 CGADHM Nc1cccc2c1N(c1cccc(Cl)c1[O-])CC2 ZINC001210222850 814350903 /nfs/dbraw/zinc/35/09/03/814350903.db2.gz XWCXLDBJWKJWRQ-UHFFFAOYSA-N -1 3 260.724 3.322 20 0 CGADHM Cc1ccc(Nc2cnc(C)c(N)c2)c(Cl)c1[O-] ZINC001210291243 814386325 /nfs/dbraw/zinc/38/63/25/814386325.db2.gz WEMIUMCCWGRCKP-UHFFFAOYSA-N -1 3 263.728 3.383 20 0 CGADHM CCOC(=O)c1nonc1[N-]c1ccc(C)cc1SC ZINC001215870995 815618746 /nfs/dbraw/zinc/61/87/46/815618746.db2.gz UJKKDKAVQKOKCJ-UHFFFAOYSA-N -1 3 293.348 3.020 20 0 CGADHM Cc1cc(-c2nnn[n-]2)ccc1-c1ccc2ccccc2n1 ZINC001242776162 823129931 /nfs/dbraw/zinc/12/99/31/823129931.db2.gz SMDUOPVZAJHSNH-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM Cc1cc(-c2nn[n-]n2)ccc1-c1ccc2ccccc2n1 ZINC001242776162 823129933 /nfs/dbraw/zinc/12/99/33/823129933.db2.gz SMDUOPVZAJHSNH-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM Cc1cc(N(C)C)nc(-c2cc([O-])cc(C(F)(F)F)c2)n1 ZINC001242781433 823131690 /nfs/dbraw/zinc/13/16/90/823131690.db2.gz FZGHALMGVIDQQY-UHFFFAOYSA-N -1 3 297.280 3.242 20 0 CGADHM Cc1cnc(-c2cc([O-])cc(C(F)(F)F)c2)nc1C ZINC001242781434 823131727 /nfs/dbraw/zinc/13/17/27/823131727.db2.gz GAUZTMKIRCCUJV-UHFFFAOYSA-N -1 3 268.238 3.485 20 0 CGADHM Cc1nc2c(C)cc(Nc3cccc([O-])c3Cl)cn2n1 ZINC001210851862 814650354 /nfs/dbraw/zinc/65/03/54/814650354.db2.gz OLWYAECDICDQHO-UHFFFAOYSA-N -1 3 288.738 3.449 20 0 CGADHM NC(=O)c1ccc(F)c(Nc2cccc([O-])c2Cl)c1 ZINC001210854741 814652055 /nfs/dbraw/zinc/65/20/55/814652055.db2.gz LGZIBTHFWSZWCA-UHFFFAOYSA-N -1 3 280.686 3.027 20 0 CGADHM COc1cccc(CO)c1Nc1cccc([O-])c1Cl ZINC001210860549 814655161 /nfs/dbraw/zinc/65/51/61/814655161.db2.gz XNZUGZNYZCTGNK-UHFFFAOYSA-N -1 3 279.723 3.290 20 0 CGADHM Cc1ccc(Nc2cc(=O)n(-c3ccccc3)[n-]2)nc1 ZINC001211011078 814706425 /nfs/dbraw/zinc/70/64/25/814706425.db2.gz XFKYPGMSXSFCLQ-UHFFFAOYSA-N -1 3 266.304 3.025 20 0 CGADHM CCOc1ccc(F)c(Nc2ncc(F)cc2[O-])c1 ZINC001211053071 814723939 /nfs/dbraw/zinc/72/39/39/814723939.db2.gz MHLLPDKTFOJCPM-UHFFFAOYSA-N -1 3 266.247 3.208 20 0 CGADHM Cc1nonc1[N-]c1ccnc(Oc2ccccc2)c1 ZINC001215775173 815586962 /nfs/dbraw/zinc/58/69/62/815586962.db2.gz KGSQLSHXNUWOHL-UHFFFAOYSA-N -1 3 268.276 3.309 20 0 CGADHM COc1cc(Nc2ccc(C(N)=O)c([O-])c2)ccc1C1CC1 ZINC001216252978 815755620 /nfs/dbraw/zinc/75/56/20/815755620.db2.gz DPXHXMRASSQZBX-UHFFFAOYSA-N -1 3 298.342 3.121 20 0 CGADHM O=C1CCCc2ccc(-c3ccccc3-c3nnn[n-]3)cc21 ZINC001242857686 823154111 /nfs/dbraw/zinc/15/41/11/823154111.db2.gz WVJQIZDGTKXPEH-UHFFFAOYSA-N -1 3 290.326 3.053 20 0 CGADHM O=C1CCCc2ccc(-c3ccccc3-c3nn[n-]n3)cc21 ZINC001242857686 823154113 /nfs/dbraw/zinc/15/41/13/823154113.db2.gz WVJQIZDGTKXPEH-UHFFFAOYSA-N -1 3 290.326 3.053 20 0 CGADHM Cc1ccc(F)c(-c2noc(-c3cc(O)ccc3[O-])n2)c1 ZINC001216735435 815894754 /nfs/dbraw/zinc/89/47/54/815894754.db2.gz KJLIWQOBDBDEPS-UHFFFAOYSA-N -1 3 286.262 3.262 20 0 CGADHM [O-]c1ccc(-c2nc(-c3ccccn3)no2)c2cccnc12 ZINC001217491342 815929522 /nfs/dbraw/zinc/92/95/22/815929522.db2.gz ARJKLIXZMDCLPQ-UHFFFAOYSA-N -1 3 290.282 3.052 20 0 CGADHM Cc1ccc(-c2cc(C(F)(F)F)[n-]c(=S)n2)nc1 ZINC001242903483 823168626 /nfs/dbraw/zinc/16/86/26/823168626.db2.gz KVVRBMIVIODWKT-UHFFFAOYSA-N -1 3 271.267 3.155 20 0 CGADHM Cc1cc(O)cc([O-])c1C(=O)Nc1ccc2cc[nH]c2c1 ZINC001218947469 816258928 /nfs/dbraw/zinc/25/89/28/816258928.db2.gz TUECRGHTQFAOSH-UHFFFAOYSA-N -1 3 282.299 3.140 20 0 CGADHM COC(=O)c1ccc(-c2ccc(F)c([O-])c2)c2cc[nH]c21 ZINC001243047191 823224552 /nfs/dbraw/zinc/22/45/52/823224552.db2.gz DRZLUFIYPBIWSU-UHFFFAOYSA-N -1 3 285.274 3.466 20 0 CGADHM CC(C)Cn1cc(-c2ccc(F)c([O-])c2)ccc1=O ZINC001243047365 823224570 /nfs/dbraw/zinc/22/45/70/823224570.db2.gz QHADXWXFPFUILP-UHFFFAOYSA-N -1 3 261.296 3.016 20 0 CGADHM COC(=O)C(C)(C)c1ccnc(-c2ccc(F)c([O-])c2)c1 ZINC001243063079 823232762 /nfs/dbraw/zinc/23/27/62/823232762.db2.gz SREOBOHWTOCBQT-UHFFFAOYSA-N -1 3 289.306 3.044 20 0 CGADHM [O-]c1coc2cc(O[C@@H]3CCc4cc(F)ccc43)ccc12 ZINC001225340153 817016607 /nfs/dbraw/zinc/01/66/07/817016607.db2.gz DVNMMJSVKKRHGI-MRXNPFEDSA-N -1 3 284.286 3.467 20 0 CGADHM Cc1ccc([C@H](C)Oc2ccc3c([O-])coc3c2)cn1 ZINC001225342511 817018010 /nfs/dbraw/zinc/01/80/10/817018010.db2.gz JTGCSJFIDGICAB-NSHDSACASA-N -1 3 269.300 3.105 20 0 CGADHM CC(C)Oc1ccc(COc2ccc3c([O-])coc3c2)cn1 ZINC001225341569 817018094 /nfs/dbraw/zinc/01/80/94/817018094.db2.gz BLQOHHRZNBXFCJ-UHFFFAOYSA-N -1 3 299.326 3.023 20 0 CGADHM Cc1cnc(F)c([C@@H](C)Oc2ccc3c([O-])coc3c2)c1 ZINC001225340713 817018168 /nfs/dbraw/zinc/01/81/68/817018168.db2.gz RMROLBKEXPHSEW-SNVBAGLBSA-N -1 3 287.290 3.244 20 0 CGADHM Cc1ccc(OC(C)C)c(-c2cncc(-c3nnn[n-]3)c2)c1 ZINC001243093909 823243746 /nfs/dbraw/zinc/24/37/46/823243746.db2.gz SYVLOQKYDWHCLA-UHFFFAOYSA-N -1 3 295.346 3.024 20 0 CGADHM Cc1ccc(OC(C)C)c(-c2cncc(-c3nn[n-]n3)c2)c1 ZINC001243093909 823243748 /nfs/dbraw/zinc/24/37/48/823243748.db2.gz SYVLOQKYDWHCLA-UHFFFAOYSA-N -1 3 295.346 3.024 20 0 CGADHM C[C@@H](Oc1cc(C(F)(F)F)[n-]c(=S)n1)C(F)(F)F ZINC001225853272 817196308 /nfs/dbraw/zinc/19/63/08/817196308.db2.gz NPCGPGMXHTVYCP-GSVOUGTGSA-N -1 3 292.204 3.114 20 0 CGADHM CC(=O)c1ccc([O-])c(O[C@@H](C)c2ccccn2)c1 ZINC001225994718 817242094 /nfs/dbraw/zinc/24/20/94/817242094.db2.gz NWRPAPFPIIFYHE-NSHDSACASA-N -1 3 257.289 3.130 20 0 CGADHM CCCCOC[C@@H](C)Oc1cc(C(C)=O)ccc1[O-] ZINC001225996583 817243136 /nfs/dbraw/zinc/24/31/36/817243136.db2.gz YAQMWNMOBWSEMW-LLVKDONJSA-N -1 3 266.337 3.179 20 0 CGADHM CC(=O)c1ccc([O-])c(OC[C@@H](C)Oc2ccccc2)c1 ZINC001225995793 817243228 /nfs/dbraw/zinc/24/32/28/817243228.db2.gz SPHHGZAYSWFESK-GFCCVEGCSA-N -1 3 286.327 3.441 20 0 CGADHM C[C@H](Oc1[n-]c(=S)ncc1C1CC1)c1nccs1 ZINC001226118856 817278290 /nfs/dbraw/zinc/27/82/90/817278290.db2.gz JOQJNWACPYTAIB-ZETCQYMHSA-N -1 3 279.390 3.239 20 0 CGADHM Cc1ccc([C@H](C)Oc2[n-]c(=S)nc3c2CCC3)cn1 ZINC001226299413 817321970 /nfs/dbraw/zinc/32/19/70/817321970.db2.gz ASNFXLHRDQRFRH-JTQLQIEISA-N -1 3 287.388 3.097 20 0 CGADHM S=c1nc2c(c(O[C@H](c3cccnc3)C3CC3)[n-]1)CCC2 ZINC001226300794 817323947 /nfs/dbraw/zinc/32/39/47/817323947.db2.gz SQIXKQNDPRENLQ-AWEZNQCLSA-N -1 3 299.399 3.179 20 0 CGADHM CSc1cccc(F)c1-c1ccc(-c2nnn[n-]2)cc1 ZINC001243123784 823254934 /nfs/dbraw/zinc/25/49/34/823254934.db2.gz KFAQGWXPMWVDSI-UHFFFAOYSA-N -1 3 286.335 3.395 20 0 CGADHM CSc1cccc(F)c1-c1ccc(-c2nn[n-]n2)cc1 ZINC001243123784 823254935 /nfs/dbraw/zinc/25/49/35/823254935.db2.gz KFAQGWXPMWVDSI-UHFFFAOYSA-N -1 3 286.335 3.395 20 0 CGADHM Cc1nnc(=O)[n-]c1O[C@H](C)c1cc2ccccc2s1 ZINC001226460691 817365055 /nfs/dbraw/zinc/36/50/55/817365055.db2.gz FWNLUWSMNKJAPC-SECBINFHSA-N -1 3 287.344 3.240 20 0 CGADHM CCc1nc(O[C@@H](CC)c2ccccc2F)cc(=O)[n-]1 ZINC001226476948 817369670 /nfs/dbraw/zinc/36/96/70/817369670.db2.gz VDCRTDWKCUASKG-LBPRGKRZSA-N -1 3 276.311 3.414 20 0 CGADHM CCOc1ccc([C@@H](C)Oc2cc(=O)[n-]c(CC)n2)cc1 ZINC001226475953 817369961 /nfs/dbraw/zinc/36/99/61/817369961.db2.gz PALLNWPMXVLLPL-LLVKDONJSA-N -1 3 288.347 3.283 20 0 CGADHM CC(=O)c1ccc([O-])c(O[C@@H]2CCCC[C@H]2C)c1O ZINC001226478073 817370005 /nfs/dbraw/zinc/37/00/05/817370005.db2.gz CQTXRTOISJAOEZ-NOZJJQNGSA-N -1 3 264.321 3.258 20 0 CGADHM CC(=O)c1ccc([O-])c(O[C@@H](C)c2ccc(C)nc2)c1O ZINC001226482763 817371597 /nfs/dbraw/zinc/37/15/97/817371597.db2.gz QCUUITLTTIRXOR-NSHDSACASA-N -1 3 287.315 3.144 20 0 CGADHM O=c1nc2nc(Cl)ccc2c(O[C@@H]2CCCC[C@H]2F)[n-]1 ZINC001226555691 817397333 /nfs/dbraw/zinc/39/73/33/817397333.db2.gz FNMZHDDTUJYMDA-RKDXNWHRSA-N -1 3 297.717 3.043 20 0 CGADHM CCC[C@@H](CC)Oc1c([O-])ccc2ccc(=O)oc21 ZINC001226596484 817409381 /nfs/dbraw/zinc/40/93/81/817409381.db2.gz KTDONQDAVOGRKS-LLVKDONJSA-N -1 3 262.305 3.456 20 0 CGADHM CC[C@H](C)[C@H](C)Oc1c([O-])ccc2ccc(=O)oc21 ZINC001226600594 817409613 /nfs/dbraw/zinc/40/96/13/817409613.db2.gz YKSVSQZQULWJII-UWVGGRQHSA-N -1 3 262.305 3.312 20 0 CGADHM CCOC(=O)[C@@H]1CCC[C@@H]1Oc1cccc([O-])c1Cl ZINC001226708475 817440754 /nfs/dbraw/zinc/44/07/54/817440754.db2.gz FVVNRZUSAYZHBO-KOLCDFICSA-N -1 3 284.739 3.156 20 0 CGADHM Cc1nn(C)cc1[C@@H](C)Oc1cccc([O-])c1Cl ZINC001226713097 817443819 /nfs/dbraw/zinc/44/38/19/817443819.db2.gz YTRNTABFFPCYEK-SECBINFHSA-N -1 3 266.728 3.228 20 0 CGADHM COc1cnc(=O)[n-]c1O[C@H](C)c1csc(Cl)c1 ZINC001226820883 817474296 /nfs/dbraw/zinc/47/42/96/817474296.db2.gz FWFXDODSYKICRR-ZCFIWIBFSA-N -1 3 286.740 3.046 20 0 CGADHM COc1ccc([C@H](C)Oc2ccnc(=S)[n-]2)c(F)c1 ZINC001226943240 817512725 /nfs/dbraw/zinc/51/27/25/817512725.db2.gz RXSVZVHOGQZGAU-QMMMGPOBSA-N -1 3 280.324 3.053 20 0 CGADHM C[C@H](Oc1cc(=O)[n-]cn1)c1c(Cl)cncc1Cl ZINC001226944539 817512808 /nfs/dbraw/zinc/51/28/08/817512808.db2.gz GZVJUZLBSGPLCF-LURJTMIESA-N -1 3 286.118 3.024 20 0 CGADHM Cc1cc(COc2ccnc(=S)[n-]2)ccc1OC(C)C ZINC001226943300 817513049 /nfs/dbraw/zinc/51/30/49/817513049.db2.gz SESNYBWWMLEGHY-UHFFFAOYSA-N -1 3 290.388 3.440 20 0 CGADHM O=c1ccc(O[C@@H]2CCc3cc(C(F)(F)F)ccc32)n[n-]1 ZINC001227092547 817554954 /nfs/dbraw/zinc/55/49/54/817554954.db2.gz BRQVWWAQLYFVKR-LLVKDONJSA-N -1 3 296.248 3.267 20 0 CGADHM C[C@H](Oc1ccc(=O)[n-]n1)c1ccc(C(F)(F)F)cc1 ZINC001227093879 817556113 /nfs/dbraw/zinc/55/61/13/817556113.db2.gz VUEJQWNWCYDARI-QMMMGPOBSA-N -1 3 284.237 3.341 20 0 CGADHM O=c1ccc(O[C@@H]2Cc3cccc4cccc2c34)n[n-]1 ZINC001227094084 817556418 /nfs/dbraw/zinc/55/64/18/817556418.db2.gz AEWOREHWAPAOGD-CYBMUJFWSA-N -1 3 264.284 3.012 20 0 CGADHM O=c1cc(O[C@@H]2CCCC[C@H]2F)[n-]c(C(F)(F)F)c1 ZINC001227585359 817675848 /nfs/dbraw/zinc/67/58/48/817675848.db2.gz YUYHWDBSEZWYCI-RKDXNWHRSA-N -1 3 279.233 3.466 20 0 CGADHM O=c1cc(O[C@H]2CCCC[C@@H]2F)[n-]c(C(F)(F)F)c1 ZINC001227585355 817676325 /nfs/dbraw/zinc/67/63/25/817676325.db2.gz YUYHWDBSEZWYCI-IUCAKERBSA-N -1 3 279.233 3.466 20 0 CGADHM COc1ccc(-c2ccc(C)c(C(=O)[O-])c2)cc1CN(C)C ZINC001243195939 823285410 /nfs/dbraw/zinc/28/54/10/823285410.db2.gz RBOZJINYVKNESR-UHFFFAOYSA-N -1 3 299.370 3.430 20 0 CGADHM [O-]c1cc(Cl)cnc1O[C@@H]1CCCc2cccnc21 ZINC001227979702 817772132 /nfs/dbraw/zinc/77/21/32/817772132.db2.gz HHHLYLSXUYULNW-GFCCVEGCSA-N -1 3 276.723 3.292 20 0 CGADHM CCCc1c([O-])ccc(C(C)=O)c1O[C@@H]1CCOC[C@H]1F ZINC001228136699 817821293 /nfs/dbraw/zinc/82/12/93/817821293.db2.gz PTJWZBVJLKYZPT-UKRRQHHQSA-N -1 3 296.338 3.053 20 0 CGADHM CCCC[C@H](CC)Oc1n[n-]c(-c2ccncc2)n1 ZINC001228697678 817976998 /nfs/dbraw/zinc/97/69/98/817976998.db2.gz NUIXQDFFMPHCOL-LBPRGKRZSA-N -1 3 260.341 3.214 20 0 CGADHM C[C@@H]1CC(Oc2n[n-]c(-c3ccncc3)n2)C[C@@H](C)C1 ZINC001228698401 817979833 /nfs/dbraw/zinc/97/98/33/817979833.db2.gz XTEHSBOZZAAAMX-QWRGUYRKSA-N -1 3 272.352 3.070 20 0 CGADHM CCC[C@H](Oc1cccc(-c2nnn[n-]2)c1)[C@@H](C)CC ZINC001231117734 818034601 /nfs/dbraw/zinc/03/46/01/818034601.db2.gz FTSCRZOHRXPQGR-FZMZJTMJSA-N -1 3 274.368 3.460 20 0 CGADHM CCC[C@H](Oc1cccc(-c2nn[n-]n2)c1)[C@@H](C)CC ZINC001231117734 818034608 /nfs/dbraw/zinc/03/46/08/818034608.db2.gz FTSCRZOHRXPQGR-FZMZJTMJSA-N -1 3 274.368 3.460 20 0 CGADHM Cc1cc(-c2ccc(-c3nnn[n-]3)cc2C)cc(C)c1O ZINC001243307991 823338511 /nfs/dbraw/zinc/33/85/11/823338511.db2.gz FHSSVZFZXHYLCK-UHFFFAOYSA-N -1 3 280.331 3.165 20 0 CGADHM Cc1cc(-c2ccc(-c3nn[n-]n3)cc2C)cc(C)c1O ZINC001243307991 823338518 /nfs/dbraw/zinc/33/85/18/823338518.db2.gz FHSSVZFZXHYLCK-UHFFFAOYSA-N -1 3 280.331 3.165 20 0 CGADHM C[C@H]1CCCCN(Cc2ccc(F)c([O-])c2F)C1 ZINC001232930862 818475866 /nfs/dbraw/zinc/47/58/66/818475866.db2.gz FTZXQOVGOZZCSE-JTQLQIEISA-N -1 3 255.308 3.292 20 0 CGADHM C[C@@H]1C[C@H](C)CN(Cc2ccc(F)c([O-])c2F)C1 ZINC001232936929 818477791 /nfs/dbraw/zinc/47/77/91/818477791.db2.gz IPGQMRQYYOCNRQ-AOOOYVTPSA-N -1 3 255.308 3.148 20 0 CGADHM C[C@@H]1CCC[C@@H](C)N1Cc1cc(Cl)ncc1[O-] ZINC001233033432 818506566 /nfs/dbraw/zinc/50/65/66/818506566.db2.gz NRUDNKFDRRGYFK-NXEZZACHSA-N -1 3 254.761 3.204 20 0 CGADHM [O-]c1cccc(CN2CCc3ccsc3C2)c1F ZINC001233053039 818513938 /nfs/dbraw/zinc/51/39/38/818513938.db2.gz HPVOPNNSYBHSNX-UHFFFAOYSA-N -1 3 263.337 3.151 20 0 CGADHM [O-]c1cccc(CN2CC[C@@H]2c2ccccc2)c1F ZINC001233057755 818515633 /nfs/dbraw/zinc/51/56/33/818515633.db2.gz OBWWTQRWWFEWMY-CQSZACIVSA-N -1 3 257.308 3.478 20 0 CGADHM CC[C@@H]1CCCCN1Cc1c(F)ccc([O-])c1F ZINC001233396115 818611120 /nfs/dbraw/zinc/61/11/20/818611120.db2.gz KKZAQQNTHRRMMZ-SNVBAGLBSA-N -1 3 255.308 3.435 20 0 CGADHM CC[C@H]1OC(=O)C(Oc2cc(Cl)c([O-])cc2C)=C1C ZINC001233591137 818650711 /nfs/dbraw/zinc/65/07/11/818650711.db2.gz DQCLVCVKRNPGBF-LLVKDONJSA-N -1 3 282.723 3.342 20 0 CGADHM C[C@H](Oc1ccc2occ([O-])c2c1)c1cnc2ccccn21 ZINC001233677526 818676929 /nfs/dbraw/zinc/67/69/29/818676929.db2.gz QZUDEZPUNQTIAM-NSHDSACASA-N -1 3 294.310 3.049 20 0 CGADHM COc1ccccc1OC[C@H](C)Oc1cccc([O-])c1F ZINC001233872630 818721748 /nfs/dbraw/zinc/72/17/48/818721748.db2.gz VWVXIPAUQNMOGF-NSHDSACASA-N -1 3 292.306 3.386 20 0 CGADHM C[C@@H]1C[C@@H](Oc2cccc([O-])c2C(N)=O)CC(C)(C)C1 ZINC001234148056 818792187 /nfs/dbraw/zinc/79/21/87/818792187.db2.gz CBYDFLDPDJHLOA-GHMZBOCLSA-N -1 3 277.364 3.085 20 0 CGADHM C[C@H](Oc1cccc([O-])c1C(N)=O)c1ccc(Cl)cc1 ZINC001234149806 818792520 /nfs/dbraw/zinc/79/25/20/818792520.db2.gz PYIPOJCAXPOOQZ-VIFPVBQESA-N -1 3 291.734 3.285 20 0 CGADHM CCC[C@@H](C)[C@@H](CC)Oc1cccc([O-])c1C(N)=O ZINC001234153537 818793421 /nfs/dbraw/zinc/79/34/21/818793421.db2.gz OPHNPTOZKKGYJD-ZYHUDNBSSA-N -1 3 265.353 3.085 20 0 CGADHM C[C@H]1C[C@@H](Oc2c(Cl)ccc([O-])c2F)CCO1 ZINC001234263151 818819894 /nfs/dbraw/zinc/81/98/94/818819894.db2.gz SRTSRRJFTVESGU-YUMQZZPRSA-N -1 3 260.692 3.131 20 0 CGADHM CCOC(=O)[C@H]1CC[C@H](Oc2nc3ccsc3[n-]2)CC1 ZINC001234848506 818931759 /nfs/dbraw/zinc/93/17/59/818931759.db2.gz QIJCCDTXPZZYLX-MGCOHNPYSA-N -1 3 294.376 3.125 20 0 CGADHM CCOC(=O)[C@H]1CC[C@H](Oc2nc3sccc3[n-]2)CC1 ZINC001234848506 818931765 /nfs/dbraw/zinc/93/17/65/818931765.db2.gz QIJCCDTXPZZYLX-MGCOHNPYSA-N -1 3 294.376 3.125 20 0 CGADHM Clc1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC001236096070 819315242 /nfs/dbraw/zinc/31/52/42/819315242.db2.gz WMXPMXHLXZHPHD-UHFFFAOYSA-N -1 3 256.696 3.187 20 0 CGADHM Clc1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC001236096070 819315250 /nfs/dbraw/zinc/31/52/50/819315250.db2.gz WMXPMXHLXZHPHD-UHFFFAOYSA-N -1 3 256.696 3.187 20 0 CGADHM COc1cc(-c2c(F)ccc(C)c2[O-])c(F)cn1 ZINC001236403884 819453238 /nfs/dbraw/zinc/45/32/38/819453238.db2.gz AMQCSICKHQFHIP-UHFFFAOYSA-N -1 3 251.232 3.049 20 0 CGADHM [O-]c1cc(CN2CCc3ccsc3C2)ccc1F ZINC001236704445 819576364 /nfs/dbraw/zinc/57/63/64/819576364.db2.gz AZRSSQIWBBPMSU-UHFFFAOYSA-N -1 3 263.337 3.151 20 0 CGADHM [O-]c1cc(CN2CCCC[C@H]2C(F)(F)F)ccc1F ZINC001236705381 819577302 /nfs/dbraw/zinc/57/73/02/819577302.db2.gz MMWMQJXJLSPLFC-LBPRGKRZSA-N -1 3 277.261 3.448 20 0 CGADHM C[C@]1(F)CCCCN(Cc2sc(=O)[n-]c2Cl)C1 ZINC001237159634 819684069 /nfs/dbraw/zinc/68/40/69/819684069.db2.gz DKNCHEZUJQVGJX-NSHDSACASA-N -1 3 278.780 3.216 20 0 CGADHM CN(Cc1occc1[S-])Cc1ccccc1F ZINC001237179399 819687903 /nfs/dbraw/zinc/68/79/03/819687903.db2.gz QELOYDLQAJMERY-UHFFFAOYSA-N -1 3 251.326 3.339 20 0 CGADHM F[C@@H]1CCCN(Cc2occc2[S-])CC1(F)F ZINC001237182641 819689264 /nfs/dbraw/zinc/68/92/64/819689264.db2.gz STDRXRPGJYPKNB-SNVBAGLBSA-N -1 3 265.300 3.138 20 0 CGADHM CN(Cc1cnc(Cl)s1)Cc1occc1[S-] ZINC001237182791 819690194 /nfs/dbraw/zinc/69/01/94/819690194.db2.gz ULOIEIGLBNHDDT-UHFFFAOYSA-N -1 3 274.798 3.310 20 0 CGADHM Cc1ccn2cc(CN(C)Cc3cc([O-])cc(F)c3)nc2c1 ZINC001237285817 819717484 /nfs/dbraw/zinc/71/74/84/819717484.db2.gz CRQYFKGYFJWNHX-UHFFFAOYSA-N -1 3 299.349 3.119 20 0 CGADHM [O-]c1cccc(-c2cc(-c3ccncc3)ncn2)c1F ZINC001243544823 823437349 /nfs/dbraw/zinc/43/73/49/823437349.db2.gz UXQKYMQKQYYHSZ-UHFFFAOYSA-N -1 3 267.263 3.050 20 0 CGADHM CCC(=O)NCc1cccc(-c2cccc([O-])c2F)c1 ZINC001243544249 823437640 /nfs/dbraw/zinc/43/76/40/823437640.db2.gz FTQDGEHQRPXHGO-UHFFFAOYSA-N -1 3 273.307 3.225 20 0 CGADHM O=c1cc(-c2cccc([O-])c2F)ccn1-c1ccccc1F ZINC001243545840 823438142 /nfs/dbraw/zinc/43/81/42/823438142.db2.gz PZAAPPGXFRITTQ-UHFFFAOYSA-N -1 3 299.276 3.488 20 0 CGADHM [O-]c1cccc(-c2nc(C3CC3)nc3[nH]ccc32)c1F ZINC001243545724 823438403 /nfs/dbraw/zinc/43/84/03/823438403.db2.gz DMDLVZRNZBKPRE-UHFFFAOYSA-N -1 3 269.279 3.299 20 0 CGADHM COC(=O)c1c(F)ccc(-c2cccc([O-])c2F)c1OC ZINC001243546273 823439261 /nfs/dbraw/zinc/43/92/61/823439261.db2.gz LGUZSPHGUZMAQC-UHFFFAOYSA-N -1 3 294.253 3.133 20 0 CGADHM COC(=O)c1cc(-c2cccc([O-])c2F)c(F)cc1OC ZINC001243547242 823439652 /nfs/dbraw/zinc/43/96/52/823439652.db2.gz ONQXJXJYMSNINF-UHFFFAOYSA-N -1 3 294.253 3.133 20 0 CGADHM COc1cc(-c2cccc([O-])c2F)c(NC(C)=O)cc1C ZINC001243548965 823441008 /nfs/dbraw/zinc/44/10/08/823441008.db2.gz MIZNFZJYPWKMEV-UHFFFAOYSA-N -1 3 289.306 3.474 20 0 CGADHM CSc1cc(F)cc(-c2ccc(=S)[n-]n2)c1 ZINC001243551133 823442147 /nfs/dbraw/zinc/44/21/47/823442147.db2.gz CAJATQYMTMMBPF-UHFFFAOYSA-N -1 3 252.339 3.293 20 0 CGADHM COc1cncc(OC)c1-c1ccc(C(F)(F)F)cc1[O-] ZINC001243609056 823466216 /nfs/dbraw/zinc/46/62/16/823466216.db2.gz LNSUZGFWSQTEPP-UHFFFAOYSA-N -1 3 299.248 3.490 20 0 CGADHM CCn1cccc(-c2ccc(C(F)(F)F)cc2[O-])c1=O ZINC001243612279 823467077 /nfs/dbraw/zinc/46/70/77/823467077.db2.gz WNPGCPDVMYZKLU-UHFFFAOYSA-N -1 3 283.249 3.260 20 0 CGADHM Cc1cc(C)cc(-c2ccc(C)c(-c3nnn[n-]3)c2)c1 ZINC001239527361 820377648 /nfs/dbraw/zinc/37/76/48/820377648.db2.gz KCAVQBHBULQIBA-UHFFFAOYSA-N -1 3 264.332 3.459 20 0 CGADHM Cc1cc(C)cc(-c2ccc(C)c(-c3nn[n-]n3)c2)c1 ZINC001239527361 820377662 /nfs/dbraw/zinc/37/76/62/820377662.db2.gz KCAVQBHBULQIBA-UHFFFAOYSA-N -1 3 264.332 3.459 20 0 CGADHM COC(=O)c1nc2nc(-c3c(C)cc(C)cc3C)ccc2[n-]1 ZINC001239551397 820403922 /nfs/dbraw/zinc/40/39/22/820403922.db2.gz YEFBXFGVQIQGMD-UHFFFAOYSA-N -1 3 295.342 3.337 20 0 CGADHM COC(=O)c1nc2ccc(-c3c(C)cc(C)cc3C)nc2[n-]1 ZINC001239551397 820403924 /nfs/dbraw/zinc/40/39/24/820403924.db2.gz YEFBXFGVQIQGMD-UHFFFAOYSA-N -1 3 295.342 3.337 20 0 CGADHM Cc1ccc(-c2cc(-c3nnn[n-]3)ccc2F)cc1F ZINC001239823085 820639111 /nfs/dbraw/zinc/63/91/11/820639111.db2.gz NBDLPNHCQJJTNX-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM Cc1ccc(-c2cc(-c3nn[n-]n3)ccc2F)cc1F ZINC001239823085 820639117 /nfs/dbraw/zinc/63/91/17/820639117.db2.gz NBDLPNHCQJJTNX-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM CC(C)Oc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC001239960661 820740564 /nfs/dbraw/zinc/74/05/64/820740564.db2.gz WBDUSNBVMYWXJW-UHFFFAOYSA-N -1 3 280.331 3.321 20 0 CGADHM CC(C)Oc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC001239960661 820740570 /nfs/dbraw/zinc/74/05/70/820740570.db2.gz WBDUSNBVMYWXJW-UHFFFAOYSA-N -1 3 280.331 3.321 20 0 CGADHM Fc1cc2[nH]ccc2c(-c2ccccc2-c2nnn[n-]2)c1 ZINC001240032647 820797529 /nfs/dbraw/zinc/79/75/29/820797529.db2.gz DELPJCJJBMVHQJ-UHFFFAOYSA-N -1 3 279.278 3.154 20 0 CGADHM Fc1cc2[nH]ccc2c(-c2ccccc2-c2nn[n-]n2)c1 ZINC001240032647 820797533 /nfs/dbraw/zinc/79/75/33/820797533.db2.gz DELPJCJJBMVHQJ-UHFFFAOYSA-N -1 3 279.278 3.154 20 0 CGADHM [O-]c1ccc(F)cc1-c1c2ncnn2ccc1C(F)(F)F ZINC001240699188 821256027 /nfs/dbraw/zinc/25/60/27/821256027.db2.gz KLUVPASCAMYCBB-UHFFFAOYSA-N -1 3 297.211 3.260 20 0 CGADHM Fc1ccc(-c2cccc3[nH]ccc32)cc1-c1nnn[n-]1 ZINC001240713021 821268003 /nfs/dbraw/zinc/26/80/03/821268003.db2.gz NIFOQXWZJXFLHS-UHFFFAOYSA-N -1 3 279.278 3.154 20 0 CGADHM Fc1ccc(-c2cccc3[nH]ccc32)cc1-c1nn[n-]n1 ZINC001240713021 821268010 /nfs/dbraw/zinc/26/80/10/821268010.db2.gz NIFOQXWZJXFLHS-UHFFFAOYSA-N -1 3 279.278 3.154 20 0 CGADHM Cc1ccc(-c2ccc3c(c2)CCCO3)cc1-c1nnn[n-]1 ZINC001240775917 821320438 /nfs/dbraw/zinc/32/04/38/821320438.db2.gz KZXAWDUMYIGVQZ-UHFFFAOYSA-N -1 3 292.342 3.167 20 0 CGADHM Cc1ccc(-c2ccc3c(c2)CCCO3)cc1-c1nn[n-]n1 ZINC001240775917 821320447 /nfs/dbraw/zinc/32/04/47/821320447.db2.gz KZXAWDUMYIGVQZ-UHFFFAOYSA-N -1 3 292.342 3.167 20 0 CGADHM Nc1cc(-c2ccc([O-])c(F)c2)ncc1C(F)(F)F ZINC001240782155 821321735 /nfs/dbraw/zinc/32/17/35/821321735.db2.gz RVNVXRRAUOCQCC-UHFFFAOYSA-N -1 3 272.201 3.194 20 0 CGADHM Cc1nc2ccc(-c3ccc([O-])c(F)c3)cc2c(=O)o1 ZINC001240786755 821326019 /nfs/dbraw/zinc/32/60/19/821326019.db2.gz SWWHCPCPFURBGP-UHFFFAOYSA-N -1 3 271.247 3.008 20 0 CGADHM COC(=O)c1ccc(-c2ccc([O-])c(F)c2)c(C)c1F ZINC001240786839 821326150 /nfs/dbraw/zinc/32/61/50/821326150.db2.gz XRRUYDOBLZMQIS-UHFFFAOYSA-N -1 3 278.254 3.432 20 0 CGADHM COC(=O)c1cc(-c2ccc([O-])c(F)c2)c(OC)cc1C ZINC001240787685 821329517 /nfs/dbraw/zinc/32/95/17/821329517.db2.gz OFEYOKDKYVETRT-UHFFFAOYSA-N -1 3 290.290 3.302 20 0 CGADHM CC(C)Cn1cccc(-c2ccc([O-])c(F)c2)c1=O ZINC001240790068 821332817 /nfs/dbraw/zinc/33/28/17/821332817.db2.gz JGOWABAAJIPERX-UHFFFAOYSA-N -1 3 261.296 3.016 20 0 CGADHM CCOc1ccc(-c2ccc([O-])c(F)c2)c(OCC)n1 ZINC001240790462 821333508 /nfs/dbraw/zinc/33/35/08/821333508.db2.gz LBWLEWSEJYLAKX-UHFFFAOYSA-N -1 3 277.295 3.391 20 0 CGADHM COc1cc2nc(C)nc(-c3ccccc3[O-])c2cc1OC ZINC001241003478 821482272 /nfs/dbraw/zinc/48/22/72/821482272.db2.gz PDKMCMSPESUJEL-UHFFFAOYSA-N -1 3 296.326 3.328 20 0 CGADHM [O-]c1ccccc1-c1ncnc2cc(C(F)(F)F)cnc21 ZINC001241008920 821485119 /nfs/dbraw/zinc/48/51/19/821485119.db2.gz XBERXZVDDFPUDW-UHFFFAOYSA-N -1 3 291.232 3.416 20 0 CGADHM COc1c(C)cc(-c2cccc(-c3nnn[n-]3)c2)cc1C ZINC001241018070 821495028 /nfs/dbraw/zinc/49/50/28/821495028.db2.gz WATXDDXVBYPIMA-UHFFFAOYSA-N -1 3 280.331 3.159 20 0 CGADHM COc1c(C)cc(-c2cccc(-c3nn[n-]n3)c2)cc1C ZINC001241018070 821495033 /nfs/dbraw/zinc/49/50/33/821495033.db2.gz WATXDDXVBYPIMA-UHFFFAOYSA-N -1 3 280.331 3.159 20 0 CGADHM CCOc1cc(F)cc(-c2ccc(-c3nnn[n-]3)cc2)c1 ZINC001241025827 821500759 /nfs/dbraw/zinc/50/07/59/821500759.db2.gz VPGYGOLKHZTZJZ-UHFFFAOYSA-N -1 3 284.294 3.072 20 0 CGADHM CCOc1cc(F)cc(-c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001241025827 821500761 /nfs/dbraw/zinc/50/07/61/821500761.db2.gz VPGYGOLKHZTZJZ-UHFFFAOYSA-N -1 3 284.294 3.072 20 0 CGADHM CSc1nc2[nH]ccc2c(-c2ccc(C)cc2[O-])n1 ZINC001241028713 821503523 /nfs/dbraw/zinc/50/35/23/821503523.db2.gz RRQNVZMDZGIMDO-UHFFFAOYSA-N -1 3 271.345 3.312 20 0 CGADHM CCOc1cc(F)c(-c2ccc(=S)[n-]n2)cc1F ZINC001241071739 821540527 /nfs/dbraw/zinc/54/05/27/821540527.db2.gz SBNGILUNGBATJO-UHFFFAOYSA-N -1 3 268.288 3.109 20 0 CGADHM [O-]c1cc(F)c(-c2ccc(N3CCOCC3)cc2)c(F)c1 ZINC001241122712 821579525 /nfs/dbraw/zinc/57/95/25/821579525.db2.gz WJHPPISWMUMLML-UHFFFAOYSA-N -1 3 291.297 3.174 20 0 CGADHM CN(C)/C=C/c1ccncc1-c1ccc(F)c(C(=O)[O-])c1 ZINC001241248180 821669970 /nfs/dbraw/zinc/66/99/70/821669970.db2.gz ZGBQSMXHXYIFON-SOFGYWHQSA-N -1 3 286.306 3.118 20 0 CGADHM Cc1[nH]c2ncnc(-c3cc([O-])cc(F)c3)c2c1C ZINC001241255805 821676307 /nfs/dbraw/zinc/67/63/07/821676307.db2.gz DTFMRLICJNXCQY-UHFFFAOYSA-N -1 3 257.268 3.086 20 0 CGADHM CC1(C)NC(=O)c2cc(-c3cc([O-])cc(F)c3)ccc21 ZINC001241280099 821698878 /nfs/dbraw/zinc/69/88/78/821698878.db2.gz DHNBHICSRPNCFA-UHFFFAOYSA-N -1 3 271.291 3.177 20 0 CGADHM O=c1cc(-c2cc([O-])cc(F)c2)ccn1-c1ccccc1 ZINC001241280730 821700021 /nfs/dbraw/zinc/70/00/21/821700021.db2.gz ULELVWGOPRGSQQ-UHFFFAOYSA-N -1 3 281.286 3.349 20 0 CGADHM COC(=O)c1cc(-c2c(F)ccc([O-])c2F)ccc1C ZINC001241291074 821707589 /nfs/dbraw/zinc/70/75/89/821707589.db2.gz ISNFOWCESQUVQS-UHFFFAOYSA-N -1 3 278.254 3.432 20 0 CGADHM CN(C)C(=O)c1cccc(-c2c(F)ccc([O-])c2F)c1 ZINC001241290656 821707719 /nfs/dbraw/zinc/70/77/19/821707719.db2.gz CTSSCGXDCGDYDK-UHFFFAOYSA-N -1 3 277.270 3.039 20 0 CGADHM O=C1CCCN1c1ccc(-c2c(F)ccc([O-])c2F)cc1 ZINC001241293123 821710721 /nfs/dbraw/zinc/71/07/21/821710721.db2.gz QJMCFSQHPFQQJO-UHFFFAOYSA-N -1 3 289.281 3.464 20 0 CGADHM COC(=O)c1ccc(C)cc1-c1c(F)ccc([O-])c1F ZINC001241292959 821711130 /nfs/dbraw/zinc/71/11/30/821711130.db2.gz OXKZYHGDPDTJKA-UHFFFAOYSA-N -1 3 278.254 3.432 20 0 CGADHM CC(C)Cn1ccc(-c2c(F)ccc([O-])c2F)cc1=O ZINC001241294266 821713014 /nfs/dbraw/zinc/71/30/14/821713014.db2.gz OUUQPSQCGGCJBK-UHFFFAOYSA-N -1 3 279.286 3.155 20 0 CGADHM Fc1c[nH]c2cccc(-c3ccc(-c4nnn[n-]4)cc3)c12 ZINC001241444368 821838136 /nfs/dbraw/zinc/83/81/36/821838136.db2.gz ALBFWMVNYSQIQM-UHFFFAOYSA-N -1 3 279.278 3.154 20 0 CGADHM Fc1c[nH]c2cccc(-c3ccc(-c4nn[n-]n4)cc3)c12 ZINC001241444368 821838142 /nfs/dbraw/zinc/83/81/42/821838142.db2.gz ALBFWMVNYSQIQM-UHFFFAOYSA-N -1 3 279.278 3.154 20 0 CGADHM CC(C)Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)c(F)c1 ZINC001241445354 821840159 /nfs/dbraw/zinc/84/01/59/821840159.db2.gz NYINXFVDZDIYAS-UHFFFAOYSA-N -1 3 298.321 3.460 20 0 CGADHM CC(C)Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)c(F)c1 ZINC001241445354 821840166 /nfs/dbraw/zinc/84/01/66/821840166.db2.gz NYINXFVDZDIYAS-UHFFFAOYSA-N -1 3 298.321 3.460 20 0 CGADHM COc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1SC ZINC001241446323 821842288 /nfs/dbraw/zinc/84/22/88/821842288.db2.gz AZWWHNMESNVBSC-UHFFFAOYSA-N -1 3 298.371 3.264 20 0 CGADHM COc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1SC ZINC001241446323 821842295 /nfs/dbraw/zinc/84/22/95/821842295.db2.gz AZWWHNMESNVBSC-UHFFFAOYSA-N -1 3 298.371 3.264 20 0 CGADHM CCc1cccc(-c2cc(-c3nnn[n-]3)ccc2OC)c1 ZINC001241546981 821937397 /nfs/dbraw/zinc/93/73/97/821937397.db2.gz MMSFWCSWBHDWGO-UHFFFAOYSA-N -1 3 280.331 3.105 20 0 CGADHM CCc1cccc(-c2cc(-c3nn[n-]n3)ccc2OC)c1 ZINC001241546981 821937403 /nfs/dbraw/zinc/93/74/03/821937403.db2.gz MMSFWCSWBHDWGO-UHFFFAOYSA-N -1 3 280.331 3.105 20 0 CGADHM Nc1n[nH]c2ccc(-c3ccc4c(c3)[N-]C(=S)C4)cc12 ZINC001241734474 822112892 /nfs/dbraw/zinc/11/28/92/822112892.db2.gz DYKKGBPBOGISAY-UHFFFAOYSA-N -1 3 280.356 3.108 20 0 CGADHM O=C([O-])c1cncc(-c2ccc(C3=NCCC3)cc2)c1 ZINC001241803713 822152369 /nfs/dbraw/zinc/15/23/69/822152369.db2.gz SNVOWRRLICJICC-UHFFFAOYSA-N -1 3 266.300 3.030 20 0 CGADHM Cn1ccc2c1cccc2-c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001241823706 822165037 /nfs/dbraw/zinc/16/50/37/822165037.db2.gz CUFLZPXGCPAMMN-UHFFFAOYSA-N -1 3 293.305 3.165 20 0 CGADHM Cn1ccc2c1cccc2-c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001241823706 822165038 /nfs/dbraw/zinc/16/50/38/822165038.db2.gz CUFLZPXGCPAMMN-UHFFFAOYSA-N -1 3 293.305 3.165 20 0 CGADHM Cc1ccc(-c2cc(-c3nnn[n-]3)ccc2F)c(F)c1F ZINC001242030773 822295188 /nfs/dbraw/zinc/29/51/88/822295188.db2.gz PFZNLKIKQXIECW-UHFFFAOYSA-N -1 3 290.248 3.259 20 0 CGADHM Cc1ccc(-c2cc(-c3nn[n-]n3)ccc2F)c(F)c1F ZINC001242030773 822295192 /nfs/dbraw/zinc/29/51/92/822295192.db2.gz PFZNLKIKQXIECW-UHFFFAOYSA-N -1 3 290.248 3.259 20 0 CGADHM Clc1cccc(-c2ccc(Cc3nnn[n-]3)cc2)c1 ZINC001242145576 822893326 /nfs/dbraw/zinc/89/33/26/822893326.db2.gz BGJNDMQSXAZCTI-UHFFFAOYSA-N -1 3 270.723 3.111 20 0 CGADHM Clc1cccc(-c2ccc(Cc3nn[n-]n3)cc2)c1 ZINC001242145576 822893327 /nfs/dbraw/zinc/89/33/27/822893327.db2.gz BGJNDMQSXAZCTI-UHFFFAOYSA-N -1 3 270.723 3.111 20 0 CGADHM CC(=O)Nc1ccc(F)cc1-c1ccc(F)cc1[O-] ZINC001242217898 822914818 /nfs/dbraw/zinc/91/48/18/822914818.db2.gz MCZCOSWZFNSZJJ-UHFFFAOYSA-N -1 3 263.243 3.296 20 0 CGADHM [O-]c1cc(F)ccc1-c1ccc(OCC2CC2)nc1 ZINC001242219464 822915706 /nfs/dbraw/zinc/91/57/06/822915706.db2.gz VHNNIZISWGUTCZ-UHFFFAOYSA-N -1 3 259.280 3.382 20 0 CGADHM COc1ccc(-c2nnn[n-]2)cc1C1=CCC(F)(F)CC1 ZINC001242235242 822920328 /nfs/dbraw/zinc/92/03/28/822920328.db2.gz VYPPBPUMYXAGIF-UHFFFAOYSA-N -1 3 292.289 3.078 20 0 CGADHM COc1ccc(-c2nn[n-]n2)cc1C1=CCC(F)(F)CC1 ZINC001242235242 822920332 /nfs/dbraw/zinc/92/03/32/822920332.db2.gz VYPPBPUMYXAGIF-UHFFFAOYSA-N -1 3 292.289 3.078 20 0 CGADHM Cn1ccc2cc(-c3cccc(F)c3[O-])ccc2c1=O ZINC001242351023 822961259 /nfs/dbraw/zinc/96/12/59/822961259.db2.gz CARFJBYFMUDICU-UHFFFAOYSA-N -1 3 269.275 3.050 20 0 CGADHM C[C@H]1C(=O)Nc2ccc(-c3cccc(F)c3[O-])cc21 ZINC001242351382 822961338 /nfs/dbraw/zinc/96/13/38/822961338.db2.gz UGXLZKKYFIOLKA-MRVPVSSYSA-N -1 3 257.264 3.254 20 0 CGADHM COC(=O)c1c[nH]c2ccc(-c3cccc(F)c3[O-])cc21 ZINC001242351873 822961934 /nfs/dbraw/zinc/96/19/34/822961934.db2.gz YWVDNGMHTMEXRV-UHFFFAOYSA-N -1 3 285.274 3.466 20 0 CGADHM COC(=O)c1cc(-c2cccc(F)c2[O-])c(C)cc1OC ZINC001242352308 822961970 /nfs/dbraw/zinc/96/19/70/822961970.db2.gz RENDOIFNJCNLSE-UHFFFAOYSA-N -1 3 290.290 3.302 20 0 CGADHM [O-]c1c(F)cccc1-c1ccc(CN2CCOCC2)cc1 ZINC001242351595 822962159 /nfs/dbraw/zinc/96/21/59/822962159.db2.gz XUYBUHBXJPRXSC-UHFFFAOYSA-N -1 3 287.334 3.031 20 0 CGADHM COCc1cc(OC)ccc1-c1cccc(F)c1[O-] ZINC001242352906 822962554 /nfs/dbraw/zinc/96/25/54/822962554.db2.gz FXCCGOBWWLHLBX-UHFFFAOYSA-N -1 3 262.280 3.353 20 0 CGADHM COc1ccc(C(=O)[O-])cc1-c1ccc2c(N)ccnc2c1 ZINC001242392371 822979661 /nfs/dbraw/zinc/97/96/61/822979661.db2.gz SXVHPXYKQYEFDA-UHFFFAOYSA-N -1 3 294.310 3.191 20 0 CGADHM Cc1cc(Cl)cc(-c2cccc(-c3nnn[n-]3)c2)c1 ZINC001242519618 823017317 /nfs/dbraw/zinc/01/73/17/823017317.db2.gz XXQALOJJFDLYAA-UHFFFAOYSA-N -1 3 270.723 3.496 20 0 CGADHM Cc1cc(Cl)cc(-c2cccc(-c3nn[n-]n3)c2)c1 ZINC001242519618 823017321 /nfs/dbraw/zinc/01/73/21/823017321.db2.gz XXQALOJJFDLYAA-UHFFFAOYSA-N -1 3 270.723 3.496 20 0 CGADHM O=C([N-]c1cccc(F)c1F)c1ncc(Cl)s1 ZINC001344335145 936530097 /nfs/dbraw/zinc/53/00/97/936530097.db2.gz NLQOOPHCCBZLMR-UHFFFAOYSA-N -1 3 274.679 3.327 20 0 CGADHM Cc1cnc2ccccc2c1N1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC001345458011 936811676 /nfs/dbraw/zinc/81/16/76/936811676.db2.gz CJGOKUUBEPQZIA-AAEUAGOBSA-N -1 3 284.359 3.090 20 0 CGADHM CC[C@@H](C)n1nccc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC001346701560 936857146 /nfs/dbraw/zinc/85/71/46/936857146.db2.gz VVSOCSKMGINDNV-SECBINFHSA-N -1 3 293.754 3.465 20 0 CGADHM C[C@](NCc1ccc(Cl)s1)(C(=O)[O-])c1ccccc1 ZINC001353898910 937080653 /nfs/dbraw/zinc/08/06/53/937080653.db2.gz ASWGSACFQAQQIO-CQSZACIVSA-N -1 3 295.791 3.491 20 0 CGADHM CC(=O)c1cc(C(C)C)c([O-])cc1OCC(=O)OC(C)C ZINC001228959020 927312460 /nfs/dbraw/zinc/31/24/60/927312460.db2.gz QRISFOALAXPNMX-UHFFFAOYSA-N -1 3 294.347 3.049 20 0 CGADHM Cc1nsc([N-]C(=O)c2sccc2C(F)F)n1 ZINC001361044506 937226499 /nfs/dbraw/zinc/22/64/99/937226499.db2.gz WZHSVLJMXMCMQH-UHFFFAOYSA-N -1 3 275.305 3.098 20 0 CGADHM CNc1ccc(C(=O)Nc2cccc([O-])c2F)c(Cl)c1 ZINC001545835980 937248291 /nfs/dbraw/zinc/24/82/91/937248291.db2.gz WXQOUFRRVKPGAB-UHFFFAOYSA-N -1 3 294.713 3.479 20 0 CGADHM CCCC[C@H](CCC)NC(=O)c1ccc(OC)cc1[O-] ZINC000226038041 928732617 /nfs/dbraw/zinc/73/26/17/928732617.db2.gz CAPZIYHFIRJFNH-LBPRGKRZSA-N -1 3 279.380 3.490 20 0 CGADHM CC(C)C[C@H](CNCc1csc(C(C)C)n1)CC(=O)[O-] ZINC001116780345 928881745 /nfs/dbraw/zinc/88/17/45/928881745.db2.gz ZGDJXQPEXSMTFW-LBPRGKRZSA-N -1 3 298.452 3.493 20 0 CGADHM CCc1cccc(C(=O)Nc2ccc3[nH]c(C)nc3c2)c1[O-] ZINC001445748608 937359065 /nfs/dbraw/zinc/35/90/65/937359065.db2.gz PRMROYJEJRCPEK-UHFFFAOYSA-N -1 3 295.342 3.392 20 0 CGADHM O=Cc1cc(C(=O)Nc2ccc(Cl)cc2[O-])ccc1F ZINC001447287245 937367522 /nfs/dbraw/zinc/36/75/22/937367522.db2.gz KHIMAVNODWTBTO-UHFFFAOYSA-N -1 3 293.681 3.250 20 0 CGADHM COc1ccc(C(=O)NC(C)(C)c2ccccc2C)c([O-])c1 ZINC001450159963 937383118 /nfs/dbraw/zinc/38/31/18/937383118.db2.gz IZOKELARQQYOJO-UHFFFAOYSA-N -1 3 299.370 3.374 20 0 CGADHM CC(C)[C@H](CO)O[N-]C(=O)CC(C)(C)C1CCCCC1 ZINC001450097676 937383583 /nfs/dbraw/zinc/38/35/83/937383583.db2.gz MMXHPUNLDSEXJC-AWEZNQCLSA-N -1 3 285.428 3.048 20 0 CGADHM Cc1ccc(CC(C)(C)NC(=O)c2ccc(O)cc2[O-])cc1 ZINC001451718323 937392004 /nfs/dbraw/zinc/39/20/04/937392004.db2.gz DKSKTOLPACEIIA-UHFFFAOYSA-N -1 3 299.370 3.157 20 0 CGADHM CSc1cccnc1[N-]C(=O)c1ccc(F)cc1F ZINC001452824619 937398521 /nfs/dbraw/zinc/39/85/21/937398521.db2.gz SQPNKPWHJNOBNP-UHFFFAOYSA-N -1 3 280.299 3.334 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(C)C)co2)c1 ZINC001457098957 937438472 /nfs/dbraw/zinc/43/84/72/937438472.db2.gz FHTUZJUULBQKKM-UHFFFAOYSA-N -1 3 274.320 3.139 20 0 CGADHM C[C@@H](C(=O)Nc1cc(Cl)ccc1[O-])n1cccc1 ZINC000135989636 931977532 /nfs/dbraw/zinc/97/75/32/931977532.db2.gz YQBVXMSOKROPLO-VIFPVBQESA-N -1 3 264.712 3.047 20 0 CGADHM CC(=O)c1cc(C(C)C)c([O-])cc1OC[C@H]1CCCO1 ZINC001228958562 932060309 /nfs/dbraw/zinc/06/03/09/932060309.db2.gz MOSKKJBKGTYLBG-GFCCVEGCSA-N -1 3 278.348 3.276 20 0 CGADHM CCC(CC)Oc1cc(O)cc([O-])c1Br ZINC001229100717 932095045 /nfs/dbraw/zinc/09/50/45/932095045.db2.gz VUKNUZIDZIBBPM-UHFFFAOYSA-N -1 3 275.142 3.428 20 0 CGADHM Cc1csc2[n-]c(=S)nc(OC[C@H]3CCC=CO3)c12 ZINC001229353335 932139003 /nfs/dbraw/zinc/13/90/03/932139003.db2.gz NRVDYNSNPYOZAZ-SECBINFHSA-N -1 3 294.401 3.360 20 0 CGADHM CC(C)[C@H](C)Oc1nc(=S)[n-]c2sccc21 ZINC001229570991 932173165 /nfs/dbraw/zinc/17/31/65/932173165.db2.gz XOFBMCLTDKHGLR-ZETCQYMHSA-N -1 3 254.380 3.403 20 0 CGADHM CCC(=O)[C@@H](CC)Oc1nc(=S)[n-]c2sccc21 ZINC001229570082 932173590 /nfs/dbraw/zinc/17/35/90/932173590.db2.gz OKTLXQBYJCVPKH-SECBINFHSA-N -1 3 282.390 3.117 20 0 CGADHM C[C@@H]1CC[C@H](C)[C@H](Oc2ccccc2-c2nnn[n-]2)C1 ZINC001229954766 932509228 /nfs/dbraw/zinc/50/92/28/932509228.db2.gz OXQNJLIFCDDFKR-UHIISALHSA-N -1 3 272.352 3.070 20 0 CGADHM C[C@@H]1CC[C@H](C)[C@H](Oc2ccccc2-c2nn[n-]n2)C1 ZINC001229954766 932509231 /nfs/dbraw/zinc/50/92/31/932509231.db2.gz OXQNJLIFCDDFKR-UHIISALHSA-N -1 3 272.352 3.070 20 0 CGADHM Cc1ccc2c(c1)CC[C@H]2Oc1ccccc1-c1nnn[n-]1 ZINC001229957972 932510636 /nfs/dbraw/zinc/51/06/36/932510636.db2.gz MXBSNCWVGAXPJK-MRXNPFEDSA-N -1 3 292.342 3.241 20 0 CGADHM Cc1ccc2c(c1)CC[C@H]2Oc1ccccc1-c1nn[n-]n1 ZINC001229957972 932510641 /nfs/dbraw/zinc/51/06/41/932510641.db2.gz MXBSNCWVGAXPJK-MRXNPFEDSA-N -1 3 292.342 3.241 20 0 CGADHM CC[C@@H](Oc1nc(=O)[n-]c2c1SCC2)c1ccccc1 ZINC001230790752 932624520 /nfs/dbraw/zinc/62/45/20/932624520.db2.gz UADKLOWPBRCQIU-GFCCVEGCSA-N -1 3 288.372 3.361 20 0 CGADHM O=c1nc(O[C@@H]2C[C@H]3CC[C@@H]2C3)c(-c2ccccc2)c[n-]1 ZINC001230974431 932651244 /nfs/dbraw/zinc/65/12/44/932651244.db2.gz MMVQDYQLCSMXTO-NJZAAPMLSA-N -1 3 282.343 3.417 20 0 CGADHM CC[C@H]1c2ccccc2CN1C(=O)c1ccc(O)cc1[O-] ZINC001304739159 932854267 /nfs/dbraw/zinc/85/42/67/932854267.db2.gz ZTUFRVGKXWNMIY-HNNXBMFYSA-N -1 3 283.327 3.205 20 0 CGADHM CC1(C)C[C@@H]1CNC(=O)c1cc2sccc2c([O-])c1 ZINC001465018347 937697499 /nfs/dbraw/zinc/69/74/99/937697499.db2.gz AVAJPWGAKJRGKL-SNVBAGLBSA-N -1 3 275.373 3.383 20 0 CGADHM CCC[C@H](CC1CCCCC1)C(=O)Nc1nnc(OC)[n-]1 ZINC001466101247 937706440 /nfs/dbraw/zinc/70/64/40/937706440.db2.gz HCNZUOAJMCAFOV-GFCCVEGCSA-N -1 3 294.399 3.139 20 0 CGADHM CCC[C@H](CC1CCCCC1)C(=O)Nc1n[n-]c(OC)n1 ZINC001466101247 937706442 /nfs/dbraw/zinc/70/64/42/937706442.db2.gz HCNZUOAJMCAFOV-GFCCVEGCSA-N -1 3 294.399 3.139 20 0 CGADHM CCC[C@H](CC1CCCCC1)C(=O)Nc1nc(OC)n[n-]1 ZINC001466101247 937706444 /nfs/dbraw/zinc/70/64/44/937706444.db2.gz HCNZUOAJMCAFOV-GFCCVEGCSA-N -1 3 294.399 3.139 20 0 CGADHM CCc1ccc(F)cc1C(=O)Nc1cccc([O-])c1F ZINC001466119224 937706578 /nfs/dbraw/zinc/70/65/78/937706578.db2.gz WBXZCHLMLRPTGA-UHFFFAOYSA-N -1 3 277.270 3.485 20 0 CGADHM CCCc1[nH]ccc1C(=O)Nc1cccc([O-])c1F ZINC001466119465 937706680 /nfs/dbraw/zinc/70/66/80/937706680.db2.gz ZWBCJQUPYNTZRJ-UHFFFAOYSA-N -1 3 262.284 3.064 20 0 CGADHM Cc1[nH]c(C(=O)Nc2c([O-])cccc2Cl)c(C)c1C=O ZINC001468457603 937728388 /nfs/dbraw/zinc/72/83/88/937728388.db2.gz SKBZJLVVFJWJLT-UHFFFAOYSA-N -1 3 292.722 3.055 20 0 CGADHM COc1cccc([O-])c1C(=O)N(C)Cc1ccc(C)c(C)c1 ZINC001469009604 937734231 /nfs/dbraw/zinc/73/42/31/937734231.db2.gz YDSCGKZOTPAERD-UHFFFAOYSA-N -1 3 299.370 3.290 20 0 CGADHM CSc1cccnc1[N-]C(=O)c1nccc2occc21 ZINC001469788235 937743860 /nfs/dbraw/zinc/74/38/60/937743860.db2.gz UOXWQWKBZUCXLE-UHFFFAOYSA-N -1 3 285.328 3.197 20 0 CGADHM C[C@H]1CCC[C@@H]1CC(=O)[N-]Oc1ccccc1F ZINC001471718219 937768737 /nfs/dbraw/zinc/76/87/37/937768737.db2.gz HFDVLHCYEADQBQ-WDEREUQCSA-N -1 3 251.301 3.062 20 0 CGADHM CCc1ccc(C(=O)NCC2(OC(C)C)CCC2)c([O-])c1 ZINC001471716124 937768877 /nfs/dbraw/zinc/76/88/77/937768877.db2.gz GTUQXMPKXXYEKB-UHFFFAOYSA-N -1 3 291.391 3.032 20 0 CGADHM Cc1cccc2c1[C@@H](C)C[C@@H]2CC(=O)[N-]OC(C)C ZINC001324501034 934516636 /nfs/dbraw/zinc/51/66/36/934516636.db2.gz OULZXUAQFQVFCL-QWHCGFSZSA-N -1 3 261.365 3.432 20 0 CGADHM Cc1cccc([O-])c1C(=O)NC[C@@H]1C[C@H]1Cc1ccccc1 ZINC001472374118 937775730 /nfs/dbraw/zinc/77/57/30/937775730.db2.gz MAJFHNNZHZTHQZ-CVEARBPZSA-N -1 3 295.382 3.309 20 0 CGADHM O=C(NC/C=C\C1CC1)c1cc([O-])c2ccccc2c1 ZINC001324599663 934530849 /nfs/dbraw/zinc/53/08/49/934530849.db2.gz FGAJXUZUVWHSEF-ARJAWSKDSA-N -1 3 267.328 3.241 20 0 CGADHM O=C(OCC[C@H]1CCOC1)c1cc2sccc2c([O-])c1 ZINC001325459489 934913300 /nfs/dbraw/zinc/91/33/00/934913300.db2.gz WIVJMEUFOCEULC-SNVBAGLBSA-N -1 3 292.356 3.190 20 0 CGADHM CSc1ccc([O-])c(C(=O)N2CC(C)(C)C2(C)C)c1 ZINC001328111114 935118330 /nfs/dbraw/zinc/11/83/30/935118330.db2.gz WZYTWSOBRJTVNK-UHFFFAOYSA-N -1 3 279.405 3.375 20 0 CGADHM CC(C)(C)c1nc(C(=O)[N-]c2c(F)ccnc2F)cs1 ZINC001334105099 936085380 /nfs/dbraw/zinc/08/53/80/936085380.db2.gz RYCMXNHMAXVOOT-UHFFFAOYSA-N -1 3 297.330 3.366 20 0 CGADHM O=C([O-])CC1CC(NCc2cc(Cl)sc2Cl)C1 ZINC001334852360 936119006 /nfs/dbraw/zinc/11/90/06/936119006.db2.gz FOZQPIFSRYIMBT-UHFFFAOYSA-N -1 3 294.203 3.398 20 0 CGADHM Cc1cccc(F)c1[N-]C(=O)c1ocnc1C(F)F ZINC001527223834 938060751 /nfs/dbraw/zinc/06/07/51/938060751.db2.gz JBTOQYDMFLJXMG-UHFFFAOYSA-N -1 3 270.210 3.312 20 0 CGADHM CSc1ccccc1NC(=O)Cc1ccc([O-])c(F)c1 ZINC001540564823 938132002 /nfs/dbraw/zinc/13/20/02/938132002.db2.gz GZYOUEZQNCMRFZ-UHFFFAOYSA-N -1 3 291.347 3.434 20 0 CGADHM O=C(Cc1cccc([O-])c1F)N1CC[C@@H](C2CCCC2)C1 ZINC001548927405 938154133 /nfs/dbraw/zinc/15/41/33/938154133.db2.gz ZTPLYCQUKBDBGA-CQSZACIVSA-N -1 3 291.366 3.113 20 0 CGADHM Cc1ccc(F)c(CN2CC[C@]3(C(=O)[O-])CCC[C@@H]23)c1F ZINC001550350278 938166320 /nfs/dbraw/zinc/16/63/20/938166320.db2.gz IFHWTNIQRQQFHT-CZUORRHYSA-N -1 3 295.329 3.102 20 0 CGADHM CC1(C)CN(C(=O)Cc2cccc([O-])c2F)[C@@H]2CCC[C@H]21 ZINC001551155377 938176806 /nfs/dbraw/zinc/17/68/06/938176806.db2.gz NDPGTONPZJIUAB-CHWSQXEVSA-N -1 3 291.366 3.111 20 0 CGADHM O=C(Cc1ccc2c(c1)CCCC2)[N-]OC1CCCCC1 ZINC001556300549 938203118 /nfs/dbraw/zinc/20/31/18/938203118.db2.gz XBBKTXXSVRSZQM-UHFFFAOYSA-N -1 3 287.403 3.488 20 0 CGADHM CC(C)c1ccc(C(=O)NCCC2(C)CC2)c([O-])c1 ZINC001556483274 938204207 /nfs/dbraw/zinc/20/42/07/938204207.db2.gz LIVBEQVZZOGNJK-UHFFFAOYSA-N -1 3 261.365 3.436 20 0 CGADHM O=C(Nc1[nH][n-]c2cc(=O)ccc1-2)[C@@H]1C[C@H]1c1ccsc1 ZINC001556722755 938205471 /nfs/dbraw/zinc/20/54/71/938205471.db2.gz BONASRKCNBSRRL-NWDGAFQWSA-N -1 3 299.355 3.072 20 0 CGADHM CC(=O)c1ccc(C(=O)Nc2cc(C)c(C)c(O)c2)cc1[O-] ZINC001558139385 938213680 /nfs/dbraw/zinc/21/36/80/938213680.db2.gz RIXJUNZDJSOKMT-UHFFFAOYSA-N -1 3 299.326 3.170 20 0 CGADHM CC(C)c1oncc1[N-]C(=O)c1ncnc2sccc21 ZINC001558342857 938214911 /nfs/dbraw/zinc/21/49/11/938214911.db2.gz REUVLURVRFTBKQ-UHFFFAOYSA-N -1 3 288.332 3.055 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2nc3ccc(C)nc3s2)c1 ZINC001558440501 938215542 /nfs/dbraw/zinc/21/55/42/938215542.db2.gz GSFCXETXUPWCNU-UHFFFAOYSA-N -1 3 299.355 3.266 20 0 CGADHM CC(C)c1cnc(CNCc2ccc([O-])c(F)c2)s1 ZINC001560349471 938254664 /nfs/dbraw/zinc/25/46/64/938254664.db2.gz LSBWOXBIGBEMSX-UHFFFAOYSA-N -1 3 280.368 3.401 20 0 CGADHM c1cc(N[C@@H]2CCCC23CCC3)cc(-c2nnn[n-]2)c1 ZINC000394859960 944630615 /nfs/dbraw/zinc/63/06/15/944630615.db2.gz LAOLBICRPNPLAO-CYBMUJFWSA-N -1 3 269.352 3.001 20 0 CGADHM c1cc(N[C@@H]2CCCC23CCC3)cc(-c2nn[n-]n2)c1 ZINC000394859960 944630626 /nfs/dbraw/zinc/63/06/26/944630626.db2.gz LAOLBICRPNPLAO-CYBMUJFWSA-N -1 3 269.352 3.001 20 0 CGADHM O=C([O-])c1ccc(CNCc2ccc3cccnc3c2)s1 ZINC001595230698 949343692 /nfs/dbraw/zinc/34/36/92/949343692.db2.gz LVTLKFXPMZAYAM-UHFFFAOYSA-N -1 3 298.367 3.284 20 0 CGADHM O=C([O-])c1cccc(CN2CCC=C(c3ccco3)C2)c1 ZINC001595242100 949474874 /nfs/dbraw/zinc/47/48/74/949474874.db2.gz GNNPGZDDVXRTEL-UHFFFAOYSA-N -1 3 283.327 3.267 20 0 CGADHM O=C([O-])c1ccccc1CNCc1cc(F)cc(Cl)c1 ZINC001595254992 949586377 /nfs/dbraw/zinc/58/63/77/949586377.db2.gz CANVKDGEGLNEDF-UHFFFAOYSA-N -1 3 293.725 3.467 20 0 CGADHM Cc1ccc(F)cc1CN1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000389430303 951350133 /nfs/dbraw/zinc/35/01/33/951350133.db2.gz XYEYKVUWIGORIX-QGZVFWFLSA-N -1 3 299.345 3.318 20 0 CGADHM O=C([O-])c1cccc(CN2CC3CCC2CC3)c1Cl ZINC000381553796 971764553 /nfs/dbraw/zinc/76/45/53/971764553.db2.gz VCABRGVMCNSTLC-UHFFFAOYSA-N -1 3 279.767 3.413 20 0 CGADHM O=C([O-])CNC1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC001595102490 951860657 /nfs/dbraw/zinc/86/06/57/951860657.db2.gz HPJPZAIHQPTIDC-UHFFFAOYSA-N -1 3 293.672 3.022 20 0 CGADHM O=C([O-])[C@@H](NCc1ccc(CF)cc1)c1ccc(F)cc1 ZINC001594843969 954113164 /nfs/dbraw/zinc/11/31/64/954113164.db2.gz QKQKIOVENZDHJW-HNNXBMFYSA-N -1 3 291.297 3.211 20 0 CGADHM Cc1cccc([C@@H](NCc2cccc(F)c2)C(=O)[O-])c1 ZINC001594396699 958771781 /nfs/dbraw/zinc/77/17/81/958771781.db2.gz AKKXAMFUZJRDJK-OAHLLOKOSA-N -1 3 273.307 3.050 20 0 CGADHM C[C@@H]1CCC[C@H](C(=O)[O-])N1Cc1cc(F)ccc1Cl ZINC001594213443 959309246 /nfs/dbraw/zinc/30/92/46/959309246.db2.gz DRJBSZXHZPBNQD-NOZJJQNGSA-N -1 3 285.746 3.307 20 0 CGADHM C[C@@H](NCc1ccccc1CC(=O)[O-])c1cccc(F)c1 ZINC000167619150 959353086 /nfs/dbraw/zinc/35/30/86/959353086.db2.gz YKIWDRPCFDRCMH-GFCCVEGCSA-N -1 3 287.334 3.304 20 0 CGADHM C[C@H](NCc1ccc(C(=O)[O-])c(F)c1)c1ccccc1 ZINC000235517954 960448760 /nfs/dbraw/zinc/44/87/60/960448760.db2.gz IZABUZSNUIIULC-NSHDSACASA-N -1 3 273.307 3.375 20 0 CGADHM O=C([O-])[C@H](N[C@@H]1C=CCC1)c1cccc(Cl)c1Cl ZINC001601668191 960544201 /nfs/dbraw/zinc/54/42/01/960544201.db2.gz MWFIVPCBRPZHSD-PRHODGIISA-N -1 3 286.158 3.427 20 0 CGADHM CC(F)(F)CCCSc1ccccc1-c1nnn[n-]1 ZINC001575242281 962349512 /nfs/dbraw/zinc/34/95/12/962349512.db2.gz ITOGTBSREKJALM-UHFFFAOYSA-N -1 3 284.335 3.394 20 0 CGADHM CC(F)(F)CCCSc1ccccc1-c1nn[n-]n1 ZINC001575242281 962349531 /nfs/dbraw/zinc/34/95/31/962349531.db2.gz ITOGTBSREKJALM-UHFFFAOYSA-N -1 3 284.335 3.394 20 0 CGADHM CCCCC[C@H](C)Nc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC001577501948 962555338 /nfs/dbraw/zinc/55/53/38/962555338.db2.gz AUUIRKVMKBBEAM-NSHDSACASA-N -1 3 289.383 3.256 20 0 CGADHM CCCCC[C@H](C)Nc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC001577501948 962555359 /nfs/dbraw/zinc/55/53/59/962555359.db2.gz AUUIRKVMKBBEAM-NSHDSACASA-N -1 3 289.383 3.256 20 0 CGADHM CCc1ccccc1CCOc1ccc(-c2nn[n-]n2)cc1 ZINC001578537006 962592093 /nfs/dbraw/zinc/59/20/93/962592093.db2.gz ITGQQALCOPBITB-UHFFFAOYSA-N -1 3 294.358 3.051 20 0 CGADHM Cc1ccnc(N[C@H](C)CCCC(C)C)c1-c1nnn[n-]1 ZINC001581281576 962752657 /nfs/dbraw/zinc/75/26/57/962752657.db2.gz NGJVJTXQGWEWRC-GFCCVEGCSA-N -1 3 288.399 3.197 20 0 CGADHM Cc1ccnc(N[C@H](C)CCCC(C)C)c1-c1nn[n-]n1 ZINC001581281576 962752667 /nfs/dbraw/zinc/75/26/67/962752667.db2.gz NGJVJTXQGWEWRC-GFCCVEGCSA-N -1 3 288.399 3.197 20 0 CGADHM Cc1ccc(COc2ccccc2-c2nnn[n-]2)cc1C ZINC001581201814 962755611 /nfs/dbraw/zinc/75/56/11/962755611.db2.gz UWCUJASYASSNMO-UHFFFAOYSA-N -1 3 280.331 3.063 20 0 CGADHM Cc1ccc(COc2ccccc2-c2nn[n-]n2)cc1C ZINC001581201814 962755622 /nfs/dbraw/zinc/75/56/22/962755622.db2.gz UWCUJASYASSNMO-UHFFFAOYSA-N -1 3 280.331 3.063 20 0 CGADHM O=C([N-]c1cnsn1)c1sc2ncccc2c1Cl ZINC001586899926 963148366 /nfs/dbraw/zinc/14/83/66/963148366.db2.gz IYRNXAJDYBKECN-UHFFFAOYSA-N -1 3 296.764 3.054 20 0 CGADHM C/C(=C\Cl)CSCc1ccccc1-c1nnn[n-]1 ZINC001588768155 963314101 /nfs/dbraw/zinc/31/41/01/963314101.db2.gz LIBHZRUQXCKJQE-RMKNXTFCSA-N -1 3 280.784 3.243 20 0 CGADHM C/C(=C\Cl)CSCc1ccccc1-c1nn[n-]n1 ZINC001588768155 963314112 /nfs/dbraw/zinc/31/41/12/963314112.db2.gz LIBHZRUQXCKJQE-RMKNXTFCSA-N -1 3 280.784 3.243 20 0 CGADHM C/C(=C/Cl)CSc1cc(F)ccc1-c1nnn[n-]1 ZINC001588769796 963316498 /nfs/dbraw/zinc/31/64/98/963316498.db2.gz YDXWROCYDHNWHP-ALCCZGGFSA-N -1 3 284.747 3.241 20 0 CGADHM C/C(=C/Cl)CSc1cc(F)ccc1-c1nn[n-]n1 ZINC001588769796 963316509 /nfs/dbraw/zinc/31/65/09/963316509.db2.gz YDXWROCYDHNWHP-ALCCZGGFSA-N -1 3 284.747 3.241 20 0 CGADHM C[C@H](CN(C)[C@H](C)c1cccc(Cl)c1F)C(=O)[O-] ZINC001589032791 963343944 /nfs/dbraw/zinc/34/39/44/963343944.db2.gz MUTMVVKQMIDBSX-RKDXNWHRSA-N -1 3 273.735 3.193 20 0 CGADHM CC(C)(CCOc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC001589276162 963975959 /nfs/dbraw/zinc/97/59/59/963975959.db2.gz UCXSXUWAURZBHK-UHFFFAOYSA-N -1 3 272.352 3.072 20 0 CGADHM CC(C)CN(C/C=C\Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC001589619371 964005640 /nfs/dbraw/zinc/00/56/40/964005640.db2.gz HGRXKAZGUMWTFU-BAQGIRSFSA-N -1 3 291.786 3.082 20 0 CGADHM CCOc1cccc(Cl)c1CN1CC[C@@](C)(C(=O)[O-])C1 ZINC001603876121 974378673 /nfs/dbraw/zinc/37/86/73/974378673.db2.gz XMCYQRTZAYQDMV-OAHLLOKOSA-N -1 3 297.782 3.035 20 0 CGADHM CCCCO[C@@H]1C[C@H](NCc2occc2C(=O)[O-])C1(C)C ZINC001595771343 982519839 /nfs/dbraw/zinc/51/98/39/982519839.db2.gz YCLAWAYRBOCDNI-UONOGXRCSA-N -1 3 295.379 3.051 20 0 CGADHM CCN(CCSC)[C@H](C)c1cc(C)c(C(=O)[O-])o1 ZINC001596347033 983796630 /nfs/dbraw/zinc/79/66/30/983796630.db2.gz AKJKMGADCMZGHL-SNVBAGLBSA-N -1 3 271.382 3.032 20 0 CGADHM CCNc1ccccc1CNCc1ccccc1CC(=O)[O-] ZINC001596504402 984259332 /nfs/dbraw/zinc/25/93/32/984259332.db2.gz PACBQUOUSPKITL-UHFFFAOYSA-N -1 3 298.386 3.035 20 0 CGADHM C[C@H](N[C@@H](C(=O)[O-])c1ccc(F)cc1)c1cccc(O)c1 ZINC001599900974 984824958 /nfs/dbraw/zinc/82/49/58/984824958.db2.gz FKKHHHBADJLOEY-ZUZCIYMTSA-N -1 3 289.306 3.008 20 0 CGADHM C[C@H]1Cc2ccccc2CN1Cc1cc(C(=O)[O-])cs1 ZINC001594622418 986666213 /nfs/dbraw/zinc/66/62/13/986666213.db2.gz GOXTYYFIJNOCCI-NSHDSACASA-N -1 3 287.384 3.393 20 0 CGADHM CCOc1cccc(Cl)c1CN[C@@](C)(CC)C(=O)[O-] ZINC001597155154 986947032 /nfs/dbraw/zinc/94/70/32/986947032.db2.gz HBVVYTMBBOJNIM-AWEZNQCLSA-N -1 3 285.771 3.082 20 0 CGADHM CCc1[nH]c(CN2CC[C@@H]3CCCC[C@@H]3C2)cc1C(=O)[O-] ZINC001597385673 987596722 /nfs/dbraw/zinc/59/67/22/987596722.db2.gz WMWQYKCYBYEYKT-QWHCGFSZSA-N -1 3 290.407 3.287 20 0 CGADHM C[C@@H](N[C@H](C(=O)[O-])c1cccnc1)c1ccc2c(c1)CCC2 ZINC001599841187 988834280 /nfs/dbraw/zinc/83/42/80/988834280.db2.gz PVYCOBKMAGHAOF-PXAZEXFGSA-N -1 3 296.370 3.047 20 0 CGADHM CC(C)[C@H](c1ccccc1)N(C)Cc1oncc1C(=O)[O-] ZINC001591058632 991475245 /nfs/dbraw/zinc/47/52/45/991475245.db2.gz RRUVJUJMFUNSQH-OAHLLOKOSA-N -1 3 288.347 3.202 20 0 CGADHM CC(C)C[C@@H]1C[C@H]1N[C@H](C)c1cc(C(=O)[O-])co1 ZINC001591444489 992541390 /nfs/dbraw/zinc/54/13/90/992541390.db2.gz FCBRNIJHVGLPDJ-CKYFFXLPSA-N -1 3 251.326 3.063 20 0 CGADHM CN(Cc1cccc(Cl)c1Cl)CC1(C(=O)[O-])CC1 ZINC001598526010 992721079 /nfs/dbraw/zinc/72/10/79/992721079.db2.gz CHHGYWBSVSKMCG-UHFFFAOYSA-N -1 3 288.174 3.290 20 0 CGADHM C[C@@H](c1ncc(C(=O)[O-])s1)N(C)C(C1CC1)C1CC1 ZINC001593734381 996324034 /nfs/dbraw/zinc/32/40/34/996324034.db2.gz UCRUFODTGVGJAQ-QMMMGPOBSA-N -1 3 280.393 3.023 20 0 CGADHM CCc1cccc(C)c1NC(=O)c1cc(F)cc2[n-]nnc21 ZINC000337425835 214076382 /nfs/dbraw/zinc/07/63/82/214076382.db2.gz YQYZMWSIPCMPTK-UHFFFAOYSA-N -1 3 298.321 3.220 20 0 CGADHM CCc1cccc(C)c1NC(=O)c1cc(F)cc2nn[n-]c21 ZINC000337425835 214076384 /nfs/dbraw/zinc/07/63/84/214076384.db2.gz YQYZMWSIPCMPTK-UHFFFAOYSA-N -1 3 298.321 3.220 20 0 CGADHM CCc1cccc(C)c1NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000337425835 214076386 /nfs/dbraw/zinc/07/63/86/214076386.db2.gz YQYZMWSIPCMPTK-UHFFFAOYSA-N -1 3 298.321 3.220 20 0 CGADHM Cc1ccc(NC(=O)[C@H]2C[C@@H]2C2CCCC2)c([O-])c1 ZINC000650998670 398192231 /nfs/dbraw/zinc/19/22/31/398192231.db2.gz HLWRFFACFOOIPW-OLZOCXBDSA-N -1 3 259.349 3.465 20 0 CGADHM CC(C)(C)c1ccc(NC(=O)[C@@]2(C)CCOC2)c([O-])c1 ZINC000337662402 214203308 /nfs/dbraw/zinc/20/33/08/214203308.db2.gz RFCURWNXSWLTOV-INIZCTEOSA-N -1 3 277.364 3.055 20 0 CGADHM CC(C)(C)[C@H]1CCCN(C(=O)c2cc(F)c[n-]c2=O)CC1 ZINC000621871720 349599072 /nfs/dbraw/zinc/59/90/72/349599072.db2.gz WHTOYWKKSLHNGT-NSHDSACASA-N -1 3 294.370 3.215 20 0 CGADHM O=C(CSCC(F)(F)F)Nc1c([O-])cccc1Cl ZINC000590567219 346851092 /nfs/dbraw/zinc/85/10/92/346851092.db2.gz XOWNPGSSJANDDM-UHFFFAOYSA-N -1 3 299.701 3.280 20 0 CGADHM CC[C@]1(C)CCCN(C(=O)c2ccc([O-])c(C)c2)C1 ZINC000436939792 529395381 /nfs/dbraw/zinc/39/53/81/529395381.db2.gz RBALVQFZNWVNBU-MRXNPFEDSA-N -1 3 261.365 3.353 20 0 CGADHM O=C(c1cc(F)c[n-]c1=O)N1CCCC[C@H]1CC1CCC1 ZINC000622181908 349643138 /nfs/dbraw/zinc/64/31/38/349643138.db2.gz MUIUNNMAMBMJNK-ZDUSSCGKSA-N -1 3 292.354 3.111 20 0 CGADHM CCC(C)(C)NC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000622294578 349668942 /nfs/dbraw/zinc/66/89/42/349668942.db2.gz YIACOAMAWZQIJO-UHFFFAOYSA-N -1 3 261.365 3.189 20 0 CGADHM CCc1cccc(C(=O)N[C@@H](C)c2ccc(OC)cc2)c1[O-] ZINC000622297603 349669579 /nfs/dbraw/zinc/66/95/79/349669579.db2.gz FAYCWZCMPTZMCK-LBPRGKRZSA-N -1 3 299.370 3.454 20 0 CGADHM CCc1noc(C)c1CSCc1nc(CC)cc(=O)[n-]1 ZINC000125702821 187196961 /nfs/dbraw/zinc/19/69/61/187196961.db2.gz AMDNAVUNKYRXTF-UHFFFAOYSA-N -1 3 293.392 3.037 20 0 CGADHM C[C@@H](c1ccccc1)N(C)C(=O)Cc1ccc([O-])c(F)c1 ZINC000622286368 349667947 /nfs/dbraw/zinc/66/79/47/349667947.db2.gz BNPWUTDAFXVOGO-LBPRGKRZSA-N -1 3 287.334 3.293 20 0 CGADHM CCc1cccc(C(=O)N[C@H](C)C2CCCC2)c1[O-] ZINC000622372644 349675909 /nfs/dbraw/zinc/67/59/09/349675909.db2.gz SXGKYUKKNDXCSB-LLVKDONJSA-N -1 3 261.365 3.263 20 0 CGADHM Cc1ccc(C(=O)NCC2(C(C)C)CC2)c([O-])c1C ZINC000622421729 349677775 /nfs/dbraw/zinc/67/77/75/349677775.db2.gz HOIWPQGCNRXYIQ-UHFFFAOYSA-N -1 3 261.365 3.175 20 0 CGADHM CCOc1ccccc1CNC(=O)c1ccc(CC)cc1[O-] ZINC000622325315 349672034 /nfs/dbraw/zinc/67/20/34/349672034.db2.gz VZVPDSGRDAFFSD-UHFFFAOYSA-N -1 3 299.370 3.283 20 0 CGADHM Cc1cccc(C(=O)NCC23CCC(CC2)C3)c1[O-] ZINC000622466306 349681024 /nfs/dbraw/zinc/68/10/24/349681024.db2.gz ARCQJGXTGXCRPZ-UHFFFAOYSA-N -1 3 259.349 3.011 20 0 CGADHM CCc1cc(C(=O)N(C)[C@H](C)c2ccccn2)ccc1[O-] ZINC000362737031 529511142 /nfs/dbraw/zinc/51/11/42/529511142.db2.gz OEPVTJAKTBTQDA-GFCCVEGCSA-N -1 3 284.359 3.183 20 0 CGADHM CCc1cc(C(=O)N2CCC[C@H](CC)C2)ccc1[O-] ZINC000436561939 529512812 /nfs/dbraw/zinc/51/28/12/529512812.db2.gz DNRKYHLOYGLRFU-LBPRGKRZSA-N -1 3 261.365 3.217 20 0 CGADHM CCc1cc(C(=O)N[C@H]2C[C@]2(F)c2ccccc2)ccc1[O-] ZINC000424987785 529520143 /nfs/dbraw/zinc/52/01/43/529520143.db2.gz DAIHUGCUSLHHGA-WMZOPIPTSA-N -1 3 299.345 3.322 20 0 CGADHM Cc1ccc(C(=O)NCc2cnccc2C(C)(C)C)c([O-])c1 ZINC000622704746 349695263 /nfs/dbraw/zinc/69/52/63/349695263.db2.gz QJFMEAYLDDXSEV-UHFFFAOYSA-N -1 3 298.386 3.323 20 0 CGADHM CCc1ccc(-c2noc(-c3ccc(C(=O)OC)[n-]3)n2)cc1 ZINC000426410038 529577462 /nfs/dbraw/zinc/57/74/62/529577462.db2.gz HRZMJWQEUHIIOZ-UHFFFAOYSA-N -1 3 297.314 3.081 20 0 CGADHM CCc1ccc(-c2nc([C@@H]3CCOC[C@H]3C)no2)c([O-])c1 ZINC000436880510 529577511 /nfs/dbraw/zinc/57/75/11/529577511.db2.gz KAOBKQIWLJWPPM-ZYHUDNBSSA-N -1 3 288.347 3.145 20 0 CGADHM CC[C@H](NC(=O)c1ccc(C(C)=O)c([O-])c1)C(C)(C)C ZINC000412040454 529565125 /nfs/dbraw/zinc/56/51/25/529565125.db2.gz ZJTAVDWDGNECRX-AWEZNQCLSA-N -1 3 277.364 3.149 20 0 CGADHM CCc1ccc(C(=O)N[C@H](C)Cc2ccc(O)cc2)c([O-])c1 ZINC000436829901 529607829 /nfs/dbraw/zinc/60/78/29/529607829.db2.gz BLSSYQDVQUOKNG-GFCCVEGCSA-N -1 3 299.370 3.021 20 0 CGADHM CCc1ccc(C(=O)N2CCc3cccc(F)c3C2)c([O-])c1 ZINC000436841223 529600439 /nfs/dbraw/zinc/60/04/39/529600439.db2.gz SYUTWBHBXOTTIJ-UHFFFAOYSA-N -1 3 299.345 3.292 20 0 CGADHM CC[C@@H](NC(=O)c1ccc([O-])c(C)c1)c1c(C)noc1C ZINC000436935984 529670556 /nfs/dbraw/zinc/67/05/56/529670556.db2.gz RINALFPDADRGMU-CYBMUJFWSA-N -1 3 288.347 3.187 20 0 CGADHM CCc1ccc([C@@H](C)NC(=O)c2cc(OC)ccc2[O-])cc1 ZINC000436612295 529705937 /nfs/dbraw/zinc/70/59/37/529705937.db2.gz MFKRRWRVNHDDAT-GFCCVEGCSA-N -1 3 299.370 3.454 20 0 CGADHM O=C(CCc1ccc(F)cc1)N1CCCc2cccc([O-])c21 ZINC000155553590 136395838 /nfs/dbraw/zinc/39/58/38/136395838.db2.gz BUQVSBUKHAEFBN-UHFFFAOYSA-N -1 3 299.345 3.443 20 0 CGADHM COc1ccc(C(=O)N[C@@H]2CCc3ccc(C)cc32)c([O-])c1 ZINC000592663982 347005023 /nfs/dbraw/zinc/00/50/23/347005023.db2.gz NKINXQBGEJCDKV-MRXNPFEDSA-N -1 3 297.354 3.127 20 0 CGADHM CN(Cc1cc([O-])ccc1Br)[C@H]1CC1(C)C ZINC000426550178 529980168 /nfs/dbraw/zinc/98/01/68/529980168.db2.gz WAIKIPXKULDVMW-LBPRGKRZSA-N -1 3 284.197 3.385 20 0 CGADHM Cc1ccc(S[C@@H](C)C(=O)Nc2ncccc2[O-])cc1 ZINC000022264049 344895322 /nfs/dbraw/zinc/89/53/22/344895322.db2.gz VYYZOWJQCSUVRQ-NSHDSACASA-N -1 3 288.372 3.215 20 0 CGADHM COc1ccc([C@H](C)NC(=O)c2ccccc2[O-])cc1F ZINC000024078490 344898943 /nfs/dbraw/zinc/89/89/43/344898943.db2.gz QUCFXYSVQQMXMP-JTQLQIEISA-N -1 3 289.306 3.031 20 0 CGADHM Cc1ccoc1C(=O)[N-]c1nnc(Cc2ccccc2)s1 ZINC000025319129 344901943 /nfs/dbraw/zinc/90/19/43/344901943.db2.gz SJCAIHMRPDAGCC-UHFFFAOYSA-N -1 3 299.355 3.283 20 0 CGADHM O=C([O-])C[C@@H]1CCCN1Cc1cccc(C(F)(F)F)c1 ZINC000042163891 344980052 /nfs/dbraw/zinc/98/00/52/344980052.db2.gz JNSPPSUWQJYEKL-LBPRGKRZSA-N -1 3 287.281 3.145 20 0 CGADHM CCCCN(Cc1cc(C)c(C(=O)[O-])o1)C1CC1 ZINC000042490672 344984423 /nfs/dbraw/zinc/98/44/23/344984423.db2.gz DCHRVLKSXGMESK-UHFFFAOYSA-N -1 3 251.326 3.051 20 0 CGADHM Cc1ccc(NC(=O)c2ccc(-n3ccnc3)cc2)c([O-])c1 ZINC000043523607 345000517 /nfs/dbraw/zinc/00/05/17/345000517.db2.gz SIODPOYFMQRPRE-UHFFFAOYSA-N -1 3 293.326 3.139 20 0 CGADHM Cc1cccc(-c2nc(=O)c3c(C(C)C)csc3[n-]2)n1 ZINC000069980629 345387569 /nfs/dbraw/zinc/38/75/69/345387569.db2.gz RUIDOYWTOVTNCB-UHFFFAOYSA-N -1 3 285.372 3.478 20 0 CGADHM CC(C)(C)c1nsc([N-]C(=O)c2cccs2)n1 ZINC000068073957 345342603 /nfs/dbraw/zinc/34/26/03/345342603.db2.gz AXMCUDZSXVOLJB-UHFFFAOYSA-N -1 3 267.379 3.149 20 0 CGADHM Cc1c2cc(F)ccc2oc1C(=O)Nc1ncccc1[O-] ZINC000073002344 345425788 /nfs/dbraw/zinc/42/57/88/345425788.db2.gz KXBOPWRXQUTDDS-UHFFFAOYSA-N -1 3 286.262 3.233 20 0 CGADHM Cc1ccc(C(=O)N2C[C@@H]3CCCC[C@@H]3C2)c([O-])c1C ZINC000078247200 345596159 /nfs/dbraw/zinc/59/61/59/345596159.db2.gz ABJHXIJMFULAJF-OKILXGFUSA-N -1 3 273.376 3.271 20 0 CGADHM CC(C)c1ccc(C(=O)N(C)Cc2ccc(O)cc2)c([O-])c1 ZINC000080016346 345662587 /nfs/dbraw/zinc/66/25/87/345662587.db2.gz IYFKNSLISSZTQL-UHFFFAOYSA-N -1 3 299.370 3.493 20 0 CGADHM CCc1cccc(C(=O)N(C)Cc2ccccc2F)c1[O-] ZINC000081944243 345721148 /nfs/dbraw/zinc/72/11/48/345721148.db2.gz GNNFYNSYSAMNQE-UHFFFAOYSA-N -1 3 287.334 3.366 20 0 CGADHM COc1cccc(CN(C)[C@@H](C)c2ccc(C(=O)[O-])o2)c1 ZINC000091780964 345823122 /nfs/dbraw/zinc/82/31/22/345823122.db2.gz SMYIGDPFXBJBSP-NSHDSACASA-N -1 3 289.331 3.179 20 0 CGADHM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCCc2ccccc2C1 ZINC000091782410 345823251 /nfs/dbraw/zinc/82/32/51/345823251.db2.gz ILDIXQDENMNEHO-LBPRGKRZSA-N -1 3 285.343 3.487 20 0 CGADHM CCc1cccc(C(=O)Nc2c(C)nn(CC)c2C)c1[O-] ZINC000091684319 345820641 /nfs/dbraw/zinc/82/06/41/345820641.db2.gz PUTFUWZCCHCVEX-UHFFFAOYSA-N -1 3 287.363 3.040 20 0 CGADHM O=C(c1ccc2n[n-]nc2c1)N(CC1CC1)c1ccccc1 ZINC000176205943 232331981 /nfs/dbraw/zinc/33/19/81/232331981.db2.gz YHRKWDQAJNBDLH-UHFFFAOYSA-N -1 3 292.342 3.015 20 0 CGADHM O=C(Nc1cccc([O-])c1F)[C@H]1C[C@H]1c1ccc(F)cc1 ZINC000128285234 346039818 /nfs/dbraw/zinc/03/98/18/346039818.db2.gz KQKWSTSSOLUXDH-RYUDHWBXSA-N -1 3 289.281 3.413 20 0 CGADHM O=C(CCCc1ccccc1)NCc1ccc([O-])c(F)c1 ZINC000132978870 346074961 /nfs/dbraw/zinc/07/49/61/346074961.db2.gz UEISCSSITPMJGF-UHFFFAOYSA-N -1 3 287.334 3.170 20 0 CGADHM CC(C)=C[C@H]1[C@@H](C(=O)NCc2ccc([O-])c(F)c2)C1(C)C ZINC000133138071 346075962 /nfs/dbraw/zinc/07/59/62/346075962.db2.gz COPJXPQSUHUVSK-WFASDCNBSA-N -1 3 291.366 3.386 20 0 CGADHM CCCc1ccc(C(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000133194933 346076617 /nfs/dbraw/zinc/07/66/17/346076617.db2.gz YAWKFOCJXZBQQJ-UHFFFAOYSA-N -1 3 287.334 3.414 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)CC2CCC2)c1[O-] ZINC000173647919 346236166 /nfs/dbraw/zinc/23/61/66/346236166.db2.gz FNEPDJJEYUFKRJ-UHFFFAOYSA-N -1 3 253.729 3.483 20 0 CGADHM Cc1oc(C(=O)[O-])cc1CN1CCC(C(C)C)CC1 ZINC000232540713 346325931 /nfs/dbraw/zinc/32/59/31/346325931.db2.gz IRHNUBXDTFUEOR-UHFFFAOYSA-N -1 3 265.353 3.154 20 0 CGADHM Cc1ccccc1CCC(=O)Nc1ccccc1[O-] ZINC000242861073 346351021 /nfs/dbraw/zinc/35/10/21/346351021.db2.gz GFHNCEFODBPOJG-UHFFFAOYSA-N -1 3 255.317 3.272 20 0 CGADHM C[C@H](c1ccccc1)N1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC000251577078 346388973 /nfs/dbraw/zinc/38/89/73/346388973.db2.gz VNCJKABMRIDKEL-MFKMUULPSA-N -1 3 287.281 3.087 20 0 CGADHM CC(C)(O)CSc1nnc([N-]c2ccccc2F)s1 ZINC000303403066 346444566 /nfs/dbraw/zinc/44/45/66/346444566.db2.gz NQYWFXXRQNRGHV-UHFFFAOYSA-N -1 3 299.396 3.284 20 0 CGADHM O=C(c1cncc(Cl)c1)N1CCCc2cccc([O-])c21 ZINC000307977315 346465555 /nfs/dbraw/zinc/46/55/55/346465555.db2.gz YDTXFBVZKUMVCL-UHFFFAOYSA-N -1 3 288.734 3.034 20 0 CGADHM Cc1cc(C(=O)NC[C@@H]2CCCC2(C)C)ccc1[O-] ZINC000389187113 346572536 /nfs/dbraw/zinc/57/25/36/346572536.db2.gz ZSRKVRJIINVGMM-ZDUSSCGKSA-N -1 3 261.365 3.257 20 0 CGADHM CC(C)n1nccc1C=Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000427683679 346615482 /nfs/dbraw/zinc/61/54/82/346615482.db2.gz GSPOBONUHAHMKQ-WAYWQWQTSA-N -1 3 270.336 3.007 20 0 CGADHM O=c1cc(Cl)[n-]c2cc(Br)ccc12 ZINC000585681296 346726649 /nfs/dbraw/zinc/72/66/49/346726649.db2.gz ROCRVYVCHVKALR-UHFFFAOYSA-N -1 3 258.502 3.356 20 0 CGADHM CC(C)SCCN1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@H]21 ZINC000594734294 347214868 /nfs/dbraw/zinc/21/48/68/347214868.db2.gz VVAAVKWTRUPRLQ-MELADBBJSA-N -1 3 285.453 3.093 20 0 CGADHM C[C@@H](O)[C@H](C)SCc1cc([O-])cc(C(F)(F)F)c1 ZINC000603317581 348070306 /nfs/dbraw/zinc/07/03/06/348070306.db2.gz CPQMZCIQFWKVMS-SFYZADRCSA-N -1 3 280.311 3.414 20 0 CGADHM C[C@@H](O)[C@@H](C)SCc1cc([O-])cc(C(F)(F)F)c1 ZINC000603316866 348070397 /nfs/dbraw/zinc/07/03/97/348070397.db2.gz CPQMZCIQFWKVMS-HTQZYQBOSA-N -1 3 280.311 3.414 20 0 CGADHM CC(C)c1ccc(C(=O)Nc2ccc3nccn3c2)c([O-])c1 ZINC000604267141 348112016 /nfs/dbraw/zinc/11/20/16/348112016.db2.gz CASZLBCRWLURMY-UHFFFAOYSA-N -1 3 295.342 3.416 20 0 CGADHM [O-]c1cccc(CNCCC2(F)CCC2)c1Cl ZINC000339399924 215145191 /nfs/dbraw/zinc/14/51/91/215145191.db2.gz KZTHRJSCFVJECS-UHFFFAOYSA-N -1 3 257.736 3.418 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2cccc(C(C)=O)c2)c1 ZINC000604901240 348138169 /nfs/dbraw/zinc/13/81/69/348138169.db2.gz QZEQACVYQDHHCP-UHFFFAOYSA-N -1 3 283.327 3.410 20 0 CGADHM CCCCn1c(=O)[n-]nc1S[C@@H]1CCC[C@H](C)C1 ZINC000605076704 348146254 /nfs/dbraw/zinc/14/62/54/348146254.db2.gz VVDCTHMIUQLEHA-WDEREUQCSA-N -1 3 269.414 3.455 20 0 CGADHM O=C(Nc1ccccc1[O-])c1cc2occc2s1 ZINC000605876610 348168176 /nfs/dbraw/zinc/16/81/76/348168176.db2.gz DNFXZVKKIUOCHC-UHFFFAOYSA-N -1 3 259.286 3.452 20 0 CGADHM Cc1ccc([O-])c(C(=O)N[C@@H]2C[C@@H]2Cc2ccccc2)c1 ZINC000607575319 348248873 /nfs/dbraw/zinc/24/88/73/348248873.db2.gz HYRZTBZVMJGVEM-GOEBONIOSA-N -1 3 281.355 3.062 20 0 CGADHM CC(C)c1ccc(C(=O)N2C[C@@H](C)S[C@H](C)C2)c([O-])c1 ZINC000608474748 348311066 /nfs/dbraw/zinc/31/10/66/348311066.db2.gz SZSOKDAMPYKUPQ-VXGBXAGGSA-N -1 3 293.432 3.482 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)C(C)C)c1-c1cccc(Cl)c1 ZINC000608468731 348311079 /nfs/dbraw/zinc/31/10/79/348311079.db2.gz SZIFLZMVTJZBAO-UHFFFAOYSA-N -1 3 277.755 3.055 20 0 CGADHM CCc1ccc([O-])c(C(=O)N[C@H]2CCC[C@H](SC)C2)c1 ZINC000609771761 348352572 /nfs/dbraw/zinc/35/25/72/348352572.db2.gz BTXSKVLHARCJNW-STQMWFEESA-N -1 3 293.432 3.359 20 0 CGADHM CCc1cc(=O)[n-]c(CSCCCOC(C)(C)C)n1 ZINC000610783062 348403420 /nfs/dbraw/zinc/40/34/20/348403420.db2.gz ZHPJYGQARHCMNO-UHFFFAOYSA-N -1 3 284.425 3.183 20 0 CGADHM CSc1ccc([O-])c(C(=O)NCCCC(F)(F)F)c1 ZINC000611705575 348469002 /nfs/dbraw/zinc/46/90/02/348469002.db2.gz STUGTGJJLLMVPB-UHFFFAOYSA-N -1 3 293.310 3.186 20 0 CGADHM CC(C)(C)c1ccc([O-])c(NC(=O)c2ncccc2F)c1 ZINC000612755617 348544229 /nfs/dbraw/zinc/54/42/29/348544229.db2.gz JKBVZKODURHNNG-UHFFFAOYSA-N -1 3 288.322 3.476 20 0 CGADHM CC(=O)c1ccc(C(=O)NC(C(C)C)C(C)C)cc1[O-] ZINC000612664967 348538468 /nfs/dbraw/zinc/53/84/68/348538468.db2.gz NZYJHEUPLWQJJR-UHFFFAOYSA-N -1 3 277.364 3.005 20 0 CGADHM Cc1nnc(C(=O)[N-]c2nc(CC(C)(C)C)cs2)s1 ZINC000613277518 348584635 /nfs/dbraw/zinc/58/46/35/348584635.db2.gz JAWHPYADTREYJY-UHFFFAOYSA-N -1 3 296.421 3.144 20 0 CGADHM C[C@@H]1CCN(Cc2cc([O-])cc(F)c2)CC1(C)C ZINC000351981486 219274456 /nfs/dbraw/zinc/27/44/56/219274456.db2.gz KXAXZCGFWICVIC-LLVKDONJSA-N -1 3 251.345 3.399 20 0 CGADHM CSc1ccc([O-])c(C(=O)NCCCCOC(C)C)c1 ZINC000613425020 348600367 /nfs/dbraw/zinc/60/03/67/348600367.db2.gz TWSDQPNJWQPVLR-UHFFFAOYSA-N -1 3 297.420 3.049 20 0 CGADHM CC1(C)CC(C(=O)NCc2ncccc2[O-])CC(C)(C)C1 ZINC000614255414 348662889 /nfs/dbraw/zinc/66/28/89/348662889.db2.gz RGYYVWVCDSAGGM-UHFFFAOYSA-N -1 3 290.407 3.256 20 0 CGADHM C[C@H](COc1ccccc1)C(=O)Nc1ccc([O-])cc1F ZINC000358144741 233064231 /nfs/dbraw/zinc/06/42/31/233064231.db2.gz GDWNTJMVRWYURT-LLVKDONJSA-N -1 3 289.306 3.185 20 0 CGADHM CO[C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1[O-])C1CCC1 ZINC000614487760 348680388 /nfs/dbraw/zinc/68/03/88/348680388.db2.gz FDBKHWBCYSYEPZ-OAHLLOKOSA-N -1 3 291.391 3.443 20 0 CGADHM O=C(NCc1ccc([O-])c2ncccc12)C1CCCCC1 ZINC000616020787 348781802 /nfs/dbraw/zinc/78/18/02/348781802.db2.gz QPPDUHWLFBSKFR-UHFFFAOYSA-N -1 3 284.359 3.137 20 0 CGADHM CCc1cc(C(=O)Nc2cc(CC(C)C)[nH]n2)ccc1[O-] ZINC000616799976 348878630 /nfs/dbraw/zinc/87/86/30/348878630.db2.gz IWULXDIAVANMHU-UHFFFAOYSA-N -1 3 287.363 3.129 20 0 CGADHM CC[C@@H]1C[C@@H](C(=O)Nc2ccc([O-])cc2Cl)CCO1 ZINC000616941298 348885171 /nfs/dbraw/zinc/88/51/71/348885171.db2.gz ZDBDZODPIOECCA-GXSJLCMTSA-N -1 3 283.755 3.189 20 0 CGADHM CC(C)CO[C@H](C)C(=O)Nc1ccc([O-])cc1Cl ZINC000616942109 348885829 /nfs/dbraw/zinc/88/58/29/348885829.db2.gz QKIKTWHRTJHZAJ-SECBINFHSA-N -1 3 271.744 3.045 20 0 CGADHM O=C(C[C@@H]1CC[C@@H]2C[C@@H]21)Nc1ccc([O-])cc1Cl ZINC000616942779 348885952 /nfs/dbraw/zinc/88/59/52/348885952.db2.gz CKZBMZVXPSJJLQ-YWVKMMECSA-N -1 3 265.740 3.420 20 0 CGADHM CCOc1cc(C(=O)[N-]c2nc(C(C)C)c(C)s2)on1 ZINC000617248623 348939217 /nfs/dbraw/zinc/93/92/17/348939217.db2.gz QEYZMSKNLQBLPP-UHFFFAOYSA-N -1 3 295.364 3.214 20 0 CGADHM COc1ccc(C=Cc2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC000352007331 219286019 /nfs/dbraw/zinc/28/60/19/219286019.db2.gz KJUHHXGYPJAOKM-UQCOIBPSSA-N -1 3 268.316 3.239 20 0 CGADHM CCCC(=O)N=c1cc(-c2cc(C)c(C)cc2C)[n-][nH]1 ZINC000617357427 348952616 /nfs/dbraw/zinc/95/26/16/348952616.db2.gz QBSYKEAQRPTUPW-UHFFFAOYSA-N -1 3 271.364 3.162 20 0 CGADHM C[C@@H]1CC(CNC(=O)Cc2ccc([O-])c(F)c2)C[C@@H](C)C1 ZINC000617669600 349000955 /nfs/dbraw/zinc/00/09/55/349000955.db2.gz NHEIMMQQSWQHRM-RYUDHWBXSA-N -1 3 293.382 3.262 20 0 CGADHM Cc1ccc(C(=O)N2CCC(C3CCC3)CC2)c([O-])c1 ZINC000617770984 349005903 /nfs/dbraw/zinc/00/59/03/349005903.db2.gz BZZQGZOFSCVJTG-UHFFFAOYSA-N -1 3 273.376 3.353 20 0 CGADHM CC(C)[C@@H](NC(=O)c1csc(=O)[n-]1)c1ccccc1F ZINC000617994219 349035155 /nfs/dbraw/zinc/03/51/55/349035155.db2.gz IBFMEGAFYSIUNS-GFCCVEGCSA-N -1 3 294.351 3.115 20 0 CGADHM O=c1cc(C=Cc2cccs2)nc(-c2ccncc2)[n-]1 ZINC000352026610 219292649 /nfs/dbraw/zinc/29/26/49/219292649.db2.gz LNCPGAPMQUZBCV-ONEGZZNKSA-N -1 3 281.340 3.064 20 0 CGADHM O=C(CCc1ccc2ccccc2c1[O-])N1CC[C@H]2C[C@H]2C1 ZINC000619373055 349239765 /nfs/dbraw/zinc/23/97/65/349239765.db2.gz SOUBYUGEQHIFBJ-HOTGVXAUSA-N -1 3 295.382 3.346 20 0 CGADHM CC(NC(=O)c1cc([O-])ccc1Cl)(C1CC1)C1CC1 ZINC000620025269 349307486 /nfs/dbraw/zinc/30/74/86/349307486.db2.gz MIOCNIKSTOPLHK-UHFFFAOYSA-N -1 3 279.767 3.354 20 0 CGADHM [O-]c1ccc(Cl)c(CN2CCC[C@@H](n3ccnc3)C2)c1 ZINC000625139421 350132581 /nfs/dbraw/zinc/13/25/81/350132581.db2.gz DDFXCSUFDTUCIP-CYBMUJFWSA-N -1 3 291.782 3.079 20 0 CGADHM [O-]c1ccc(Cl)c(CN2CCOC[C@@H]2c2ccco2)c1 ZINC000625174367 350136635 /nfs/dbraw/zinc/13/66/35/350136635.db2.gz ORJOVQIFOXPFCK-CQSZACIVSA-N -1 3 293.750 3.212 20 0 CGADHM CC(C)OCCCN(C)Cc1cc([O-])ccc1Cl ZINC000625182244 350137125 /nfs/dbraw/zinc/13/71/25/350137125.db2.gz DGEQSKXJPGHQSI-UHFFFAOYSA-N -1 3 271.788 3.293 20 0 CGADHM CC1(C)CN(Cc2cc([O-])ccc2Cl)[C@H]1[C@@H]1CCCO1 ZINC000625432810 350171037 /nfs/dbraw/zinc/17/10/37/350171037.db2.gz OSXJSJUADKCJQM-GJZGRUSLSA-N -1 3 295.810 3.435 20 0 CGADHM CC(C)[C@H]1CN(Cc2cc([O-])ccc2Cl)CCCO1 ZINC000625450211 350172787 /nfs/dbraw/zinc/17/27/87/350172787.db2.gz XTELAFNEOLZYQO-OAHLLOKOSA-N -1 3 283.799 3.293 20 0 CGADHM Cc1ccc(C(=O)N2CCC[C@H]2C(C)C)c([O-])c1C ZINC000271311931 191066673 /nfs/dbraw/zinc/06/66/73/191066673.db2.gz WVXJGLPYPQDAAK-AWEZNQCLSA-N -1 3 261.365 3.270 20 0 CGADHM Cc1csc(C(C)(C)NC(=O)c2c(C)cccc2[O-])n1 ZINC000625688171 350196711 /nfs/dbraw/zinc/19/67/11/350196711.db2.gz MNFGYMPTLBVVMI-UHFFFAOYSA-N -1 3 290.388 3.131 20 0 CGADHM C[C@@H]1CN(C/C=C\c2ccc(F)c(F)c2)CC[C@@H]1C(=O)[O-] ZINC000625970569 350237882 /nfs/dbraw/zinc/23/78/82/350237882.db2.gz URXJJDSYKGJCFD-FIFDWTMUSA-N -1 3 295.329 3.021 20 0 CGADHM C/C=C\C[C@@H]1CCCN(Cc2cc(C(=O)[O-])c(C)o2)C1 ZINC000625971629 350238082 /nfs/dbraw/zinc/23/80/82/350238082.db2.gz NEAIQOACAVPIHX-DHCBQETCSA-N -1 3 277.364 3.464 20 0 CGADHM Cc1cccc([O-])c1C(=O)N(C)Cc1cccc(N(C)C)c1 ZINC000626205809 350283512 /nfs/dbraw/zinc/28/35/12/350283512.db2.gz RHUDWVVEMXWEOZ-UHFFFAOYSA-N -1 3 298.386 3.039 20 0 CGADHM C[C@@H](NC(=O)c1cc([O-])cc(Br)c1)C1CCC1 ZINC000626268576 350290263 /nfs/dbraw/zinc/29/02/63/350290263.db2.gz WNXNQDOWNYRICB-MRVPVSSYSA-N -1 3 298.180 3.073 20 0 CGADHM Cc1cccc([O-])c1C(=O)N[C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000626309872 350293806 /nfs/dbraw/zinc/29/38/06/350293806.db2.gz ONXYRKOORJZLLH-OCCSQVGLSA-N -1 3 291.391 3.024 20 0 CGADHM O=C([N-]c1cc2c(cn1)CCCC2)c1ocnc1C(F)F ZINC000627439185 350360957 /nfs/dbraw/zinc/36/09/57/350360957.db2.gz CPSYUASZCWBIPB-UHFFFAOYSA-N -1 3 293.273 3.138 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CC(C)(C)[C@H]1c1cccnc1 ZINC000627472640 350361750 /nfs/dbraw/zinc/36/17/50/350361750.db2.gz VKOGKBSIMIHMMJ-MRXNPFEDSA-N -1 3 296.370 3.319 20 0 CGADHM CCCCN(C(=O)c1cc(=O)[n-]cn1)[C@@H]1CCC[C@@H](C)C1 ZINC000627542326 350364746 /nfs/dbraw/zinc/36/47/46/350364746.db2.gz IXPNECWRMZRQGM-CHWSQXEVSA-N -1 3 291.395 3.003 20 0 CGADHM Cc1cccc([O-])c1C(=O)Nc1ccc([C@@H]2CCOC2)cc1 ZINC000627541902 350364836 /nfs/dbraw/zinc/36/48/36/350364836.db2.gz ROTZZXWFJMLROY-CQSZACIVSA-N -1 3 297.354 3.457 20 0 CGADHM Cc1cc(C)c(-c2cc(=NC(=O)C3(C)CC3)[nH][n-]2)cc1C ZINC000352204523 219359939 /nfs/dbraw/zinc/35/99/39/219359939.db2.gz HRWJWLOZQWHYFE-UHFFFAOYSA-N -1 3 283.375 3.162 20 0 CGADHM CCC(F)(F)CNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000628841577 350612462 /nfs/dbraw/zinc/61/24/62/350612462.db2.gz TYWRXHBBPGNELU-UHFFFAOYSA-N -1 3 289.297 3.016 20 0 CGADHM CCCCn1c(=O)[n-]nc1SCc1ncccc1Cl ZINC000629100428 350651272 /nfs/dbraw/zinc/65/12/72/350651272.db2.gz NIKNCCVOPZPUDK-UHFFFAOYSA-N -1 3 298.799 3.125 20 0 CGADHM Cn1ncc2c1nc(S[C@@H]1C=CCCCCC1)[n-]c2=O ZINC000629221590 350670220 /nfs/dbraw/zinc/67/02/20/350670220.db2.gz VCAMXALMNAJCAV-SNVBAGLBSA-N -1 3 290.392 3.050 20 0 CGADHM C[C@@H]1CN(Cc2ccsc2C(=O)[O-])C[C@H](C)C1(F)F ZINC000629364242 350678216 /nfs/dbraw/zinc/67/82/16/350678216.db2.gz KIMDAPJHEHFDGR-DTORHVGOSA-N -1 3 289.347 3.169 20 0 CGADHM O=C([O-])c1ccc(CN2CCCC(F)(F)CC2)cc1 ZINC000629368856 350680398 /nfs/dbraw/zinc/68/03/98/350680398.db2.gz ZDJJEONHEBIRIR-UHFFFAOYSA-N -1 3 269.291 3.006 20 0 CGADHM O=C([O-])c1cc(CN2CCCC(F)(F)CC2)cs1 ZINC000629368294 350680483 /nfs/dbraw/zinc/68/04/83/350680483.db2.gz LRBNYXDRUGRFFN-UHFFFAOYSA-N -1 3 275.320 3.068 20 0 CGADHM O=C([O-])[C@@H]1CCN(Cc2ccc(Cl)s2)[C@@H]2CCC[C@@H]21 ZINC000629373956 350682663 /nfs/dbraw/zinc/68/26/63/350682663.db2.gz QRVCIFSWPDWBLA-IJLUTSLNSA-N -1 3 299.823 3.477 20 0 CGADHM C[C@]12CCCC[C@H]1CN2C(=O)c1cc([O-])ccc1Cl ZINC000629619080 350720643 /nfs/dbraw/zinc/72/06/43/350720643.db2.gz RICHGGSEOKFJEC-BONVTDFDSA-N -1 3 279.767 3.450 20 0 CGADHM C/C=C/C[C@@H]1CCCN(C(=O)Cc2ccc([O-])c(F)c2)C1 ZINC000629869894 350778322 /nfs/dbraw/zinc/77/83/22/350778322.db2.gz KGKFTNZDPVWGSF-YWVDXFKGSA-N -1 3 291.366 3.279 20 0 CGADHM C/C=C/C[C@@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC000629875582 350782708 /nfs/dbraw/zinc/78/27/08/350782708.db2.gz CSEGIQPKIZWXPD-YWVDXFKGSA-N -1 3 259.349 3.211 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)C2CC3(CC3)C2)c1-c1ccccc1F ZINC000630024471 350798225 /nfs/dbraw/zinc/79/82/25/350798225.db2.gz AYJQGGIOISAHBV-UHFFFAOYSA-N -1 3 299.349 3.075 20 0 CGADHM O=C(Nc1ccccc1[O-])C1C[C@H]2CCCC[C@@H](C1)C2=O ZINC000630795765 350888823 /nfs/dbraw/zinc/88/88/23/350888823.db2.gz GRMCBOOHXVKJJY-FUNVUKJBSA-N -1 3 287.359 3.116 20 0 CGADHM CCCn1c(=O)[n-]nc1SCCCCOC(C)(C)C ZINC000352237342 219378514 /nfs/dbraw/zinc/37/85/14/219378514.db2.gz JTYHQMZFFXJSFJ-UHFFFAOYSA-N -1 3 287.429 3.081 20 0 CGADHM CC(=O)c1cccc(NC(=O)c2cccc(F)c2F)c1[O-] ZINC000336512416 213390280 /nfs/dbraw/zinc/39/02/80/213390280.db2.gz CRLSIPWUXKDBLW-UHFFFAOYSA-N -1 3 291.253 3.125 20 0 CGADHM O=C(c1cccc2[n-]nnc21)N1CCC[C@H](C2CCC2)CC1 ZINC000634523225 351505169 /nfs/dbraw/zinc/50/51/69/351505169.db2.gz ZTLFCYYRJIPPAN-ZDUSSCGKSA-N -1 3 298.390 3.000 20 0 CGADHM O=C(c1cccc2nn[n-]c21)N1CCC[C@H](C2CCC2)CC1 ZINC000634523225 351505172 /nfs/dbraw/zinc/50/51/72/351505172.db2.gz ZTLFCYYRJIPPAN-ZDUSSCGKSA-N -1 3 298.390 3.000 20 0 CGADHM O=C(c1cccc2n[n-]nc21)N1CCC[C@H](C2CCC2)CC1 ZINC000634523225 351505175 /nfs/dbraw/zinc/50/51/75/351505175.db2.gz ZTLFCYYRJIPPAN-ZDUSSCGKSA-N -1 3 298.390 3.000 20 0 CGADHM C[C@@H]1CCc2[n-]n(Cc3ccccc3Cl)c(=O)c21 ZINC000634597263 351533100 /nfs/dbraw/zinc/53/31/00/351533100.db2.gz GACYVQWQAIIXSR-RNCFNFMXSA-N -1 3 262.740 3.084 20 0 CGADHM C[C@H]1CCc2[n-]n(Cc3ccccc3Cl)c(=O)c21 ZINC000634597265 351533302 /nfs/dbraw/zinc/53/33/02/351533302.db2.gz GACYVQWQAIIXSR-ZANVPECISA-N -1 3 262.740 3.084 20 0 CGADHM CCc1[n-]n([C@H](C)c2ccncc2)c(=O)c1C(C)C ZINC000634626966 351550852 /nfs/dbraw/zinc/55/08/52/351550852.db2.gz QSPOEBZYQXRUOJ-BXUZGUMPSA-N -1 3 259.353 3.023 20 0 CGADHM Cc1cc(C2(C(=O)Nc3cc(Cl)ccc3[O-])CC2)on1 ZINC000635721472 351685876 /nfs/dbraw/zinc/68/58/76/351685876.db2.gz NJANDXSETNBWHR-UHFFFAOYSA-N -1 3 292.722 3.012 20 0 CGADHM CC(C)(C)c1ccc(NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)c([O-])c1 ZINC000635900369 351701267 /nfs/dbraw/zinc/70/12/67/351701267.db2.gz ZITCENPMEMJJGY-VXGBXAGGSA-N -1 3 299.374 3.155 20 0 CGADHM Cc1c(C(=O)Nc2cccc([O-])c2F)ccn1C(C)C ZINC000336491529 213364577 /nfs/dbraw/zinc/36/45/77/213364577.db2.gz XTMMMXYPHPNLFE-UHFFFAOYSA-N -1 3 276.311 3.474 20 0 CGADHM CC(C)CO[N-]C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000123370257 187087750 /nfs/dbraw/zinc/08/77/50/187087750.db2.gz INBYBODERYXPOI-UHFFFAOYSA-N -1 3 276.258 3.415 20 0 CGADHM C[C@H](CC(=O)[N-]OC/C=C/Cl)c1cccc(F)c1 ZINC000291984831 198126175 /nfs/dbraw/zinc/12/61/75/198126175.db2.gz ZMNXYHDSDXNLKS-QLCVYAKKSA-N -1 3 271.719 3.120 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)CCC(=O)c1ccc(C)s1 ZINC000292148128 198182448 /nfs/dbraw/zinc/18/24/48/198182448.db2.gz RSVHPORRHQBOSD-SNVBAGLBSA-N -1 3 283.393 3.113 20 0 CGADHM CCc1cc(C(=O)N(C)[C@@H](C)C2(C)CC2)ccc1[O-] ZINC000292211808 198203602 /nfs/dbraw/zinc/20/36/02/198203602.db2.gz QAVYGDCHFOIPCV-NSHDSACASA-N -1 3 261.365 3.215 20 0 CGADHM O=C([N-]OC/C=C/Cl)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000292218951 198206251 /nfs/dbraw/zinc/20/62/51/198206251.db2.gz QMCOYZXEBLDNIK-CTXMHQRVSA-N -1 3 285.693 3.155 20 0 CGADHM CC(C)[C@H]1CCN1Cc1cccc([O-])c1Br ZINC000459364539 535202095 /nfs/dbraw/zinc/20/20/95/535202095.db2.gz SNFKYNYRDFYDHG-LLVKDONJSA-N -1 3 284.197 3.385 20 0 CGADHM Cc1cc(C(=O)CCC(=O)[N-]OCC(C)C)c(C)s1 ZINC000153482282 188085569 /nfs/dbraw/zinc/08/55/69/188085569.db2.gz QKXOTTVCICOUAC-UHFFFAOYSA-N -1 3 283.393 3.032 20 0 CGADHM CC(C)(C)C[C@@H](O)CC(=O)Nc1ccc(Cl)cc1[O-] ZINC000292358977 198258715 /nfs/dbraw/zinc/25/87/15/198258715.db2.gz YNSNURIOBPZNGL-JTQLQIEISA-N -1 3 285.771 3.171 20 0 CGADHM CCC[C@@H]1CCCN(C(=O)c2cc(OC)ccc2[O-])C1 ZINC000155267181 188194819 /nfs/dbraw/zinc/19/48/19/188194819.db2.gz RZFXRIRDKTYWCM-GFCCVEGCSA-N -1 3 277.364 3.053 20 0 CGADHM Cc1cc([C@H](C)NCc2ccc(C(=O)[O-])cc2)c(C)o1 ZINC000050920906 137915016 /nfs/dbraw/zinc/91/50/16/137915016.db2.gz SXUFSQNVDRCFEO-NSHDSACASA-N -1 3 273.332 3.445 20 0 CGADHM Cc1cccc(C)c1NC([O-])=NOCCC(F)(F)F ZINC000156157890 188245817 /nfs/dbraw/zinc/24/58/17/188245817.db2.gz ARFQENWBXZJILI-UHFFFAOYSA-N -1 3 276.258 3.309 20 0 CGADHM Cc1cccc(C)c1NC(=O)[N-]OCCC(F)(F)F ZINC000156157890 188245819 /nfs/dbraw/zinc/24/58/19/188245819.db2.gz ARFQENWBXZJILI-UHFFFAOYSA-N -1 3 276.258 3.309 20 0 CGADHM O=C([N-]OCCC(F)(F)F)c1c(F)cccc1Cl ZINC000156976324 188290463 /nfs/dbraw/zinc/29/04/63/188290463.db2.gz FHGNVOBDIAUPQO-UHFFFAOYSA-N -1 3 285.624 3.093 20 0 CGADHM O=C([N-]OCC1CC1)Nc1cccc(C(F)(F)F)c1 ZINC000292798428 198414548 /nfs/dbraw/zinc/41/45/48/198414548.db2.gz NEYQULVOVDTQNE-UHFFFAOYSA-N -1 3 274.242 3.169 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)NC[C@H]1CCC[C@@H]1C1CC1 ZINC000412479389 235175666 /nfs/dbraw/zinc/17/56/66/235175666.db2.gz RHYZOTCOLOAEBR-ZIAGYGMSSA-N -1 3 291.366 3.016 20 0 CGADHM [O-]C(=NOC1CCCC1)Nc1cccc(Br)c1 ZINC000271846463 191363936 /nfs/dbraw/zinc/36/39/36/191363936.db2.gz VQENUINOEYJNRT-UHFFFAOYSA-N -1 3 299.168 3.445 20 0 CGADHM O=C([N-]OC1CCCC1)Nc1cccc(Br)c1 ZINC000271846463 191363939 /nfs/dbraw/zinc/36/39/39/191363939.db2.gz VQENUINOEYJNRT-UHFFFAOYSA-N -1 3 299.168 3.445 20 0 CGADHM Cc1cc(C(=O)NC[C@@H]2CCC[C@@H]2C2CC2)ccc1[O-] ZINC000413887497 235316470 /nfs/dbraw/zinc/31/64/70/235316470.db2.gz WKWZALABCOAPKI-LSDHHAIUSA-N -1 3 273.376 3.257 20 0 CGADHM Cc1cc(C(=O)NC[C@H]2CCC[C@H]2C2CC2)ccc1[O-] ZINC000413887494 235316802 /nfs/dbraw/zinc/31/68/02/235316802.db2.gz WKWZALABCOAPKI-CABCVRRESA-N -1 3 273.376 3.257 20 0 CGADHM O=C([N-]c1c(F)cccc1F)c1ccc(Cl)o1 ZINC000069832079 295924620 /nfs/dbraw/zinc/92/46/20/295924620.db2.gz VEBHGIMTCHNAGA-UHFFFAOYSA-N -1 3 257.623 3.464 20 0 CGADHM Cc1cccc(C(=O)N2CC3(C2)CCCCC3)c1[O-] ZINC000273809504 192316486 /nfs/dbraw/zinc/31/64/86/192316486.db2.gz YRIIVFZWGKMQTG-UHFFFAOYSA-N -1 3 259.349 3.107 20 0 CGADHM O=C([O-])[C@H](CC1CC1)NCc1c(Cl)cccc1Cl ZINC000417620733 235642247 /nfs/dbraw/zinc/64/22/47/235642247.db2.gz JRSWVEBMOCGAAB-LBPRGKRZSA-N -1 3 288.174 3.336 20 0 CGADHM O=C(Nc1ccncc1[O-])[C@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000109888931 138362437 /nfs/dbraw/zinc/36/24/37/138362437.db2.gz DIQSKCIDAKUZGI-NEPJUHHUSA-N -1 3 288.734 3.183 20 0 CGADHM C[C@H]1CCN(C(=O)c2cccnc2F)c2c([O-])cccc21 ZINC000279327755 290568145 /nfs/dbraw/zinc/56/81/45/290568145.db2.gz GXEBYUHCHRCBBV-JTQLQIEISA-N -1 3 286.306 3.080 20 0 CGADHM O=C(Nc1cccc([O-])c1F)[C@@H]1CC12CCCCC2 ZINC000335806004 295949932 /nfs/dbraw/zinc/94/99/32/295949932.db2.gz LEYJKYQYLWYOSN-JTQLQIEISA-N -1 3 263.312 3.440 20 0 CGADHM CC(C)CO[C@H]1CCN(Cc2cccc([O-])c2Cl)C1 ZINC000294445320 199042427 /nfs/dbraw/zinc/04/24/27/199042427.db2.gz XZHZHYWHLDAPRB-ZDUSSCGKSA-N -1 3 283.799 3.293 20 0 CGADHM C[C@H]1CCCC[C@H]1C(=O)Nc1cc(F)ccc1[O-] ZINC000424748885 236186979 /nfs/dbraw/zinc/18/69/79/236186979.db2.gz IWHVOANSGHDHMI-GXSJLCMTSA-N -1 3 251.301 3.296 20 0 CGADHM [O-]c1cc(CN2CC(CC(F)F)C2)cc(C(F)(F)F)c1 ZINC000425365508 236238556 /nfs/dbraw/zinc/23/85/56/236238556.db2.gz LCKYGEMIHZCTDZ-UHFFFAOYSA-N -1 3 295.251 3.498 20 0 CGADHM Cc1cc(F)ccc1CNCc1ccc(C(=O)[O-])cc1 ZINC000426691546 236307234 /nfs/dbraw/zinc/30/72/34/236307234.db2.gz IUZMNEPOJJOQQS-UHFFFAOYSA-N -1 3 273.307 3.122 20 0 CGADHM O=C(c1cc(=O)c2ccccc2[n-]1)N(C1CCC1)C1CCC1 ZINC000294643119 199118949 /nfs/dbraw/zinc/11/89/49/199118949.db2.gz MJKTZMJNZGVJKX-UHFFFAOYSA-N -1 3 296.370 3.488 20 0 CGADHM COc1ccc(C(=O)N2CC(C)(C)[C@@H]3CCC[C@@H]32)c([O-])c1 ZINC000294728449 199155097 /nfs/dbraw/zinc/15/50/97/199155097.db2.gz LLVVYVDHNHZHLY-KGLIPLIRSA-N -1 3 289.375 3.052 20 0 CGADHM C[C@H]1CSCCN(Cc2cccc([O-])c2Cl)C1 ZINC000294811812 199193541 /nfs/dbraw/zinc/19/35/41/199193541.db2.gz WVBOIRKZAXXMQV-SNVBAGLBSA-N -1 3 271.813 3.231 20 0 CGADHM Cc1cccnc1-c1noc(/C=C/c2cccc([O-])c2)n1 ZINC000435952914 237008284 /nfs/dbraw/zinc/00/82/84/237008284.db2.gz MEGBKURKNZCYTQ-BQYQJAHWSA-N -1 3 279.299 3.316 20 0 CGADHM Cc1ccc([O-])c(-c2nc(-c3nccc4[nH]ccc43)no2)c1 ZINC000436523933 237118059 /nfs/dbraw/zinc/11/80/59/237118059.db2.gz WXQOZHGURUQJPV-UHFFFAOYSA-N -1 3 292.298 3.294 20 0 CGADHM C[C@@H]1C[C@H](c2nc(-c3ccc([O-])c4ccccc34)no2)CO1 ZINC000436619868 237144125 /nfs/dbraw/zinc/14/41/25/237144125.db2.gz SXVHHYLWZKTGCD-MNOVXSKESA-N -1 3 296.326 3.488 20 0 CGADHM Cc1ccnc(CNC(=O)c2ccc(C(C)C)cc2[O-])c1 ZINC000436634364 237148841 /nfs/dbraw/zinc/14/88/41/237148841.db2.gz KJJVXJMFBOJUDD-UHFFFAOYSA-N -1 3 284.359 3.149 20 0 CGADHM O=C(N[C@@H](c1ccccc1)C1CCC1)c1ccc(O)cc1[O-] ZINC000436661994 237153386 /nfs/dbraw/zinc/15/33/86/237153386.db2.gz AIEVMHBZNWCBSB-KRWDZBQOSA-N -1 3 297.354 3.369 20 0 CGADHM O=C(NC1CCC1)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436556843 237129709 /nfs/dbraw/zinc/12/97/09/237129709.db2.gz RIBSADCLMYYCJF-UHFFFAOYSA-N -1 3 297.354 3.254 20 0 CGADHM Cc1cncc(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)c1 ZINC000436591331 237142039 /nfs/dbraw/zinc/14/20/39/237142039.db2.gz WBSYIFVSJZURDS-UHFFFAOYSA-N -1 3 298.342 3.061 20 0 CGADHM Cc1ccc(C(=O)N(CC(F)F)CC2CCC2)c([O-])c1 ZINC000436669038 237158157 /nfs/dbraw/zinc/15/81/57/237158157.db2.gz ZEPCPZNVXUQKAB-UHFFFAOYSA-N -1 3 283.318 3.208 20 0 CGADHM Cc1oc2ccccc2c1CNCc1nc(C)ccc1[O-] ZINC000341541574 216006304 /nfs/dbraw/zinc/00/63/04/216006304.db2.gz WTCHRCTWDCRHBW-UHFFFAOYSA-N -1 3 282.343 3.440 20 0 CGADHM CC(C)ON=C([O-])Nc1c(F)cc(Cl)cc1F ZINC000296949042 200043043 /nfs/dbraw/zinc/04/30/43/200043043.db2.gz QDKUDSXRGUULQY-UHFFFAOYSA-N -1 3 264.659 3.080 20 0 CGADHM CC(C)O[N-]C(=O)Nc1c(F)cc(Cl)cc1F ZINC000296949042 200043045 /nfs/dbraw/zinc/04/30/45/200043045.db2.gz QDKUDSXRGUULQY-UHFFFAOYSA-N -1 3 264.659 3.080 20 0 CGADHM Cc1ccc([O-])c(C(=O)N[C@@H](C)c2cccc(F)c2F)c1 ZINC000436867814 237196984 /nfs/dbraw/zinc/19/69/84/237196984.db2.gz DUPMMGWHDZHMDP-JTQLQIEISA-N -1 3 291.297 3.470 20 0 CGADHM Cc1cccc(OCCN(C)C(=O)c2ccc([O-])c(C)c2)c1 ZINC000436898282 237205187 /nfs/dbraw/zinc/20/51/87/237205187.db2.gz XKBQFCOXHIVWDP-UHFFFAOYSA-N -1 3 299.370 3.160 20 0 CGADHM Cc1cc(CN(C)C(=O)c2cccc(C)c2[O-])ccc1F ZINC000436997846 237230495 /nfs/dbraw/zinc/23/04/95/237230495.db2.gz GHYFJBJSWYVIBJ-UHFFFAOYSA-N -1 3 287.334 3.420 20 0 CGADHM CCc1occc1C(=O)N=c1cc(-c2ccccc2)o[n-]1 ZINC000437581568 237304294 /nfs/dbraw/zinc/30/42/94/237304294.db2.gz WIUSDEWAQKBIBN-UHFFFAOYSA-N -1 3 282.299 3.171 20 0 CGADHM CC[C@H](C)CON=C([O-])Nc1ncsc1C(C)C ZINC000297190968 200109649 /nfs/dbraw/zinc/10/96/49/200109649.db2.gz XAURSAZWQLNLCO-VIFPVBQESA-N -1 3 271.386 3.366 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)Nc1ncsc1C(C)C ZINC000297190968 200109651 /nfs/dbraw/zinc/10/96/51/200109651.db2.gz XAURSAZWQLNLCO-VIFPVBQESA-N -1 3 271.386 3.366 20 0 CGADHM Nc1c(Cl)cc(NC(=O)[N-]OCC2CC2)cc1Cl ZINC000297873570 200297372 /nfs/dbraw/zinc/29/73/72/200297372.db2.gz QIMOFRPWYWHRAY-UHFFFAOYSA-N -1 3 290.150 3.039 20 0 CGADHM Cc1ccc2c(CCC(=O)Nc3ncccc3[O-])c[nH]c2c1 ZINC000341891282 216142685 /nfs/dbraw/zinc/14/26/85/216142685.db2.gz RICCJAKSAHRHTK-UHFFFAOYSA-N -1 3 295.342 3.148 20 0 CGADHM CNc1ccccc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000342051029 216202244 /nfs/dbraw/zinc/20/22/44/216202244.db2.gz XFPGDSCQVXEWLA-UHFFFAOYSA-N -1 3 276.723 3.340 20 0 CGADHM CN(CCC1CCCCC1)C(=O)c1ccc(O)cc1[O-] ZINC000179470405 189196807 /nfs/dbraw/zinc/19/68/07/189196807.db2.gz WMVFSEBSHJBWJA-UHFFFAOYSA-N -1 3 277.364 3.140 20 0 CGADHM CCCCCc1nnc([N-]C(=O)c2csnc2C)s1 ZINC000179492897 189197689 /nfs/dbraw/zinc/19/76/89/189197689.db2.gz JHEDHZDDPUWYJK-UHFFFAOYSA-N -1 3 296.421 3.288 20 0 CGADHM COc1cccc(C(=O)NCCCCC2CCCC2)c1[O-] ZINC000440475770 238308332 /nfs/dbraw/zinc/30/83/32/238308332.db2.gz FPUPBMBYYRBXDR-UHFFFAOYSA-N -1 3 291.391 3.491 20 0 CGADHM Cc1ccc([O-])c(CNc2cnn(C)c2-c2ccccc2)n1 ZINC000342225387 216269856 /nfs/dbraw/zinc/26/98/56/216269856.db2.gz WTYRANOXLWYJIE-UHFFFAOYSA-N -1 3 294.358 3.108 20 0 CGADHM CC[C@H](NC(=O)c1cccc([O-])c1)c1nc(C)cs1 ZINC000182387919 189322416 /nfs/dbraw/zinc/32/24/16/189322416.db2.gz FSLVCUCTQMOEDC-LBPRGKRZSA-N -1 3 276.361 3.038 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)COC(C)(C)C)c1[O-] ZINC000182446860 189323770 /nfs/dbraw/zinc/32/37/70/189323770.db2.gz DCPHWFRCBFMWKZ-UHFFFAOYSA-N -1 3 271.744 3.108 20 0 CGADHM CCO[N-]C(=O)Nc1ccc(C(F)(F)F)cc1Cl ZINC000182981508 189341759 /nfs/dbraw/zinc/34/17/59/189341759.db2.gz HNPOCBFKZFGUSS-UHFFFAOYSA-N -1 3 282.649 3.432 20 0 CGADHM CCC(CC)[C@@H](C)C(=O)Nc1nnc(-c2ccc(C)o2)[n-]1 ZINC000342371781 216329001 /nfs/dbraw/zinc/32/90/01/216329001.db2.gz ZEYKGKIYSKUTLL-SNVBAGLBSA-N -1 3 290.367 3.384 20 0 CGADHM CCC(CC)[C@@H](C)C(=O)Nc1nc(-c2ccc(C)o2)n[n-]1 ZINC000342371781 216329005 /nfs/dbraw/zinc/32/90/05/216329005.db2.gz ZEYKGKIYSKUTLL-SNVBAGLBSA-N -1 3 290.367 3.384 20 0 CGADHM CCC(CC)[C@@H](C)C(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC000342371781 216329008 /nfs/dbraw/zinc/32/90/08/216329008.db2.gz ZEYKGKIYSKUTLL-SNVBAGLBSA-N -1 3 290.367 3.384 20 0 CGADHM CSc1cccc(NC(=O)c2ccc3n[n-]nc3c2)c1C ZINC000342462067 216361125 /nfs/dbraw/zinc/36/11/25/216361125.db2.gz NAYPMAISIHIAMN-UHFFFAOYSA-N -1 3 298.371 3.241 20 0 CGADHM C[C@@H](NC(=O)c1ccc2c(c1[O-])CCCC2)c1ccccn1 ZINC000184909514 189398706 /nfs/dbraw/zinc/39/87/06/189398706.db2.gz NIFUTWXRBRUBFQ-GFCCVEGCSA-N -1 3 296.370 3.157 20 0 CGADHM CC(=O)Nc1ccc(C)cc1NC(=O)c1ccc([O-])c(C)c1 ZINC000335670808 212390280 /nfs/dbraw/zinc/39/02/80/212390280.db2.gz MWNNHJJGHJOGAH-UHFFFAOYSA-N -1 3 298.342 3.220 20 0 CGADHM CC[C@@H](CC(F)(F)F)N=c1[n-]c(C(C)=O)c(C)s1 ZINC000450439566 239910179 /nfs/dbraw/zinc/91/01/79/239910179.db2.gz OQGZVNKFWVOGSM-QMMMGPOBSA-N -1 3 280.315 3.219 20 0 CGADHM CSCC1CCC(N=c2[n-]c(C(C)=O)c(C)s2)CC1 ZINC000450650250 240018056 /nfs/dbraw/zinc/01/80/56/240018056.db2.gz LJPICPKQYUKREP-UHFFFAOYSA-N -1 3 298.477 3.410 20 0 CGADHM Cc1csc(S(=O)(=O)[N-][C@H](C)c2cccs2)c1 ZINC000450982316 240180623 /nfs/dbraw/zinc/18/06/23/240180623.db2.gz BTNORJPHSFDCDG-SECBINFHSA-N -1 3 287.431 3.158 20 0 CGADHM C[C@H](NC(=O)Cc1ccc([O-])c(F)c1)[C@@H]1CCC[C@@H](C)C1 ZINC000456980526 241529680 /nfs/dbraw/zinc/52/96/80/241529680.db2.gz LGDZABFLIFPAHY-MBNYWOFBSA-N -1 3 293.382 3.405 20 0 CGADHM C[C@H](c1ccccc1)N(C)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459301497 242062259 /nfs/dbraw/zinc/06/22/59/242062259.db2.gz WLCBYBZIHLIXRC-GFCCVEGCSA-N -1 3 283.375 3.253 20 0 CGADHM C[C@H]1C[C@H](C)N(Cc2cc(=O)[n-]c(-c3ccccc3)n2)C1 ZINC000459349533 242084849 /nfs/dbraw/zinc/08/48/49/242084849.db2.gz XOGPZUIBBSIBNV-STQMWFEESA-N -1 3 283.375 3.080 20 0 CGADHM [O-]c1cccc(CN2CC[C@H](C3CC3)C2)c1Br ZINC000459337981 242079478 /nfs/dbraw/zinc/07/94/78/242079478.db2.gz KBVIBSZUUPRMGM-NSHDSACASA-N -1 3 296.208 3.387 20 0 CGADHM CCOc1cc(CNC2(C(F)F)CC2)cc(Cl)c1[O-] ZINC000459534357 242126529 /nfs/dbraw/zinc/12/65/29/242126529.db2.gz FSKBZGXSSWLOBV-UHFFFAOYSA-N -1 3 291.725 3.332 20 0 CGADHM C[C@H]1CC[N@H+](Cc2cc(=O)[n-]c(-c3ccccc3)n2)[C@H]1C ZINC000459350559 242085618 /nfs/dbraw/zinc/08/56/18/242085618.db2.gz GBPFYBVJMZMECW-STQMWFEESA-N -1 3 283.375 3.080 20 0 CGADHM C[C@H]1CCN(Cc2cc(=O)[n-]c(-c3ccccc3)n2)[C@H]1C ZINC000459350559 242085624 /nfs/dbraw/zinc/08/56/24/242085624.db2.gz GBPFYBVJMZMECW-STQMWFEESA-N -1 3 283.375 3.080 20 0 CGADHM CN(CCC1CC1)Cc1cccc([O-])c1Br ZINC000459357934 242089630 /nfs/dbraw/zinc/08/96/30/242089630.db2.gz MMLFLXGSJQYQSY-UHFFFAOYSA-N -1 3 284.197 3.387 20 0 CGADHM O=C([C@H]1CCCC(F)(F)C1)N1CCCc2cccc([O-])c21 ZINC000282261389 296101027 /nfs/dbraw/zinc/10/10/27/296101027.db2.gz CSZUEKFNRMAEJE-LBPRGKRZSA-N -1 3 295.329 3.497 20 0 CGADHM C=Cc1ccc(CCNC(=O)c2cc(OC)ccc2[O-])cc1 ZINC000462570284 242352957 /nfs/dbraw/zinc/35/29/57/242352957.db2.gz IQCWGVFZHGHWTC-UHFFFAOYSA-N -1 3 297.354 3.016 20 0 CGADHM CCn1c(C(C)(C)c2ccccc2)n[n-]c1=NC(C)(C)C ZINC000463100069 242386411 /nfs/dbraw/zinc/38/64/11/242386411.db2.gz UEGQFWJRHMXDOR-UHFFFAOYSA-N -1 3 286.423 3.256 20 0 CGADHM CCc1cc(C(=O)NC[C@@H]2CCc3ccccc32)ccc1[O-] ZINC000486286971 243358460 /nfs/dbraw/zinc/35/84/60/243358460.db2.gz WGDSLRIRFYMIFL-INIZCTEOSA-N -1 3 295.382 3.414 20 0 CGADHM COc1ccc([O-])c(C(=O)Nc2cccc(Cl)c2)c1 ZINC000013589760 368659062 /nfs/dbraw/zinc/65/90/62/368659062.db2.gz HZCXJTZFWWWHFF-UHFFFAOYSA-N -1 3 277.707 3.307 20 0 CGADHM CC[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000016088922 368707884 /nfs/dbraw/zinc/70/78/84/368707884.db2.gz NSDZOGQCDRLJJA-SSDOTTSWSA-N -1 3 282.192 3.070 20 0 CGADHM CCN(Cc1cc(C)c(C(=O)[O-])o1)Cc1ccccc1 ZINC000036812821 369030625 /nfs/dbraw/zinc/03/06/25/369030625.db2.gz LWKNBHWKDULIMI-UHFFFAOYSA-N -1 3 273.332 3.308 20 0 CGADHM O=C(/C=C\c1cccc(O)c1)Nc1c([O-])cccc1Cl ZINC000493117184 244100659 /nfs/dbraw/zinc/10/06/59/244100659.db2.gz CKJXGFLDDWKQHC-FPLPWBNLSA-N -1 3 289.718 3.403 20 0 CGADHM O=C(/C=C\c1cccc(C(F)(F)F)c1)[N-]OCC(F)F ZINC000493496903 244175678 /nfs/dbraw/zinc/17/56/78/244175678.db2.gz PECYUSUKIYDEHW-PLNGDYQASA-N -1 3 295.207 3.032 20 0 CGADHM Cn1ccc(/C=C/C(=O)Nc2cc(Cl)ccc2[O-])c1 ZINC000493450508 244165940 /nfs/dbraw/zinc/16/59/40/244165940.db2.gz LNCNPILKSMIDLR-GORDUTHDSA-N -1 3 276.723 3.036 20 0 CGADHM O=C(/C=C/c1cncc(F)c1)Nc1c([O-])cccc1Cl ZINC000493851271 244243583 /nfs/dbraw/zinc/24/35/83/244243583.db2.gz KCZQWYLQGYWIFZ-SNAWJCMRSA-N -1 3 292.697 3.232 20 0 CGADHM COc1ccc(C(=O)N2CCC[C@@H]2C2CCCC2)c([O-])c1 ZINC000044352584 369259620 /nfs/dbraw/zinc/25/96/20/369259620.db2.gz JNMIVDFVNHINRG-OAHLLOKOSA-N -1 3 289.375 3.196 20 0 CGADHM C[C@H]1CCc2sc(C(=O)Nc3ncccc3[O-])cc2C1 ZINC000045574531 369281255 /nfs/dbraw/zinc/28/12/55/369281255.db2.gz QOHYUVXDKJOIEA-VIFPVBQESA-N -1 3 288.372 3.226 20 0 CGADHM CCc1cc2c([n-]c(COc3ccccc3)nc2=O)s1 ZINC000048622681 369362884 /nfs/dbraw/zinc/36/28/84/369362884.db2.gz IYAGSLCFGMYTGB-UHFFFAOYSA-N -1 3 286.356 3.126 20 0 CGADHM COc1cc(C(=O)N[C@H]2CCc3cc(C)ccc32)ccc1[O-] ZINC000276240506 193253775 /nfs/dbraw/zinc/25/37/75/193253775.db2.gz UQXGZNZAXFFCFG-HNNXBMFYSA-N -1 3 297.354 3.127 20 0 CGADHM COc1cc(C(=O)N(CC(C)C)C2CCCC2)ccc1[O-] ZINC000276239990 193254246 /nfs/dbraw/zinc/25/42/46/193254246.db2.gz ULLYVDFXDZSRJP-UHFFFAOYSA-N -1 3 291.391 3.442 20 0 CGADHM O=C(C1CCCCC1)N1CCCc2cccc([O-])c21 ZINC000063063748 369638556 /nfs/dbraw/zinc/63/85/56/369638556.db2.gz UQEFZHVVFSPFJJ-UHFFFAOYSA-N -1 3 259.349 3.252 20 0 CGADHM Cc1cc(C(=O)N2CCCc3cccc([O-])c32)c(C)o1 ZINC000063063852 369638624 /nfs/dbraw/zinc/63/86/24/369638624.db2.gz FPQYKUCGZVOETG-UHFFFAOYSA-N -1 3 271.316 3.195 20 0 CGADHM C[C@H](CC(=O)Nc1nnc(-c2ccco2)[n-]1)C(C)(C)C ZINC000066620401 369698446 /nfs/dbraw/zinc/69/84/46/369698446.db2.gz YGIUYNVUPKPCLY-SECBINFHSA-N -1 3 276.340 3.076 20 0 CGADHM C[C@H](CC(=O)Nc1nc(-c2ccco2)n[n-]1)C(C)(C)C ZINC000066620401 369698451 /nfs/dbraw/zinc/69/84/51/369698451.db2.gz YGIUYNVUPKPCLY-SECBINFHSA-N -1 3 276.340 3.076 20 0 CGADHM C[C@H](CC(=O)Nc1n[n-]c(-c2ccco2)n1)C(C)(C)C ZINC000066620401 369698456 /nfs/dbraw/zinc/69/84/56/369698456.db2.gz YGIUYNVUPKPCLY-SECBINFHSA-N -1 3 276.340 3.076 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CC3(C2)CCCCC3)c1 ZINC000503196128 244676520 /nfs/dbraw/zinc/67/65/20/244676520.db2.gz FVCHHLOGASJMAH-UHFFFAOYSA-N -1 3 273.376 3.361 20 0 CGADHM O=C([O-])CCCCCNCc1c(F)cccc1Cl ZINC000075424079 369907454 /nfs/dbraw/zinc/90/74/54/369907454.db2.gz DEGZQNWJDXEFIZ-UHFFFAOYSA-N -1 3 273.735 3.214 20 0 CGADHM O=C([O-])C1CCC(CNCc2c(F)cccc2Cl)CC1 ZINC000093431417 370127362 /nfs/dbraw/zinc/12/73/62/370127362.db2.gz KVIMAPYHPWFBMQ-UHFFFAOYSA-N -1 3 299.773 3.460 20 0 CGADHM O=C(CC1(O)CCCCC1)Nc1cc(Cl)ccc1[O-] ZINC000331284004 203681098 /nfs/dbraw/zinc/68/10/98/203681098.db2.gz HBQHLDJHSCQRNH-UHFFFAOYSA-N -1 3 283.755 3.069 20 0 CGADHM CCCc1nnc([N-]C(=O)c2ccc(SC)o2)s1 ZINC000112230053 370415763 /nfs/dbraw/zinc/41/57/63/370415763.db2.gz JXBSTGMJHAABTL-UHFFFAOYSA-N -1 3 283.378 3.058 20 0 CGADHM C[C@H]1CCCCCN1C(=O)N=c1cc(C(C)(C)C)o[n-]1 ZINC000512549558 245041609 /nfs/dbraw/zinc/04/16/09/245041609.db2.gz SNIAWXYCNIHJMK-NSHDSACASA-N -1 3 279.384 3.190 20 0 CGADHM O=C(Nc1ccccc1[O-])C1(c2cccc(F)c2)CC1 ZINC000115708272 370540323 /nfs/dbraw/zinc/54/03/23/370540323.db2.gz CHCVRDXCEHRAND-UHFFFAOYSA-N -1 3 271.291 3.202 20 0 CGADHM Cc1noc(C)c1CC(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000116979309 370576952 /nfs/dbraw/zinc/57/69/52/370576952.db2.gz RRZUJENLRIDIEV-UHFFFAOYSA-N -1 3 294.738 3.140 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)C2CC=CC2)c1[O-] ZINC000129629437 370996373 /nfs/dbraw/zinc/99/63/73/370996373.db2.gz RIGQXDLIOUPUFK-UHFFFAOYSA-N -1 3 251.713 3.259 20 0 CGADHM Cc1ccc(-c2nc([C@H]3CCO[C@H](C)C3)no2)c([O-])c1C ZINC000331636895 204031940 /nfs/dbraw/zinc/03/19/40/204031940.db2.gz IVIXVXXQKSKGJT-PWSUYJOCSA-N -1 3 288.347 3.342 20 0 CGADHM CCCC[C@@H](C(=O)[O-])N(CC)Cc1cccs1 ZINC000132574922 371184870 /nfs/dbraw/zinc/18/48/70/371184870.db2.gz UPPNLTAPOQZEMO-LBPRGKRZSA-N -1 3 255.383 3.213 20 0 CGADHM Cc1oc(C(=O)[O-])cc1CN1[C@@H](C)CCC[C@@H]1C ZINC000011803684 541850549 /nfs/dbraw/zinc/85/05/49/541850549.db2.gz SOEOHFWKHJSGSE-UWVGGRQHSA-N -1 3 251.326 3.049 20 0 CGADHM CCc1cc(=O)[n-]c(CN[C@H]2CCC[C@H]2c2ccccc2)n1 ZINC000133734430 371275787 /nfs/dbraw/zinc/27/57/87/371275787.db2.gz WDEUFCPATRTJMF-HOTGVXAUSA-N -1 3 297.402 3.171 20 0 CGADHM COc1ccc(C(=O)N2C[C@H](C)CCC[C@H]2C)c([O-])c1 ZINC000134196311 371310332 /nfs/dbraw/zinc/31/03/32/371310332.db2.gz BXCINVJDELMVTH-VXGBXAGGSA-N -1 3 277.364 3.052 20 0 CGADHM C[C@@H]1CCCN(C(=O)Cc2ccc([O-])cc2Cl)CC1 ZINC000136227661 371469034 /nfs/dbraw/zinc/46/90/34/371469034.db2.gz JKCCYGCAUZNHOA-LLVKDONJSA-N -1 3 281.783 3.237 20 0 CGADHM C[C@@H]([N-]C(=O)C(F)F)c1ccc(Br)cc1F ZINC000286621567 371528862 /nfs/dbraw/zinc/52/88/62/371528862.db2.gz LWVULNGHJZWAAK-RXMQYKEDSA-N -1 3 296.086 3.031 20 0 CGADHM CC(C)c1cc(C(=O)N2CCCO2)c([O-])c(C(C)C)c1 ZINC000152597885 371707972 /nfs/dbraw/zinc/70/79/72/371707972.db2.gz IDXAPGQENLTALY-UHFFFAOYSA-N -1 3 277.364 3.417 20 0 CGADHM CCO[N-]C(=O)Nc1cc(F)c(F)cc1N1CCCCC1 ZINC000289757751 371814163 /nfs/dbraw/zinc/81/41/63/371814163.db2.gz KKPUGLAJEQAIFW-UHFFFAOYSA-N -1 3 299.321 3.028 20 0 CGADHM Cc1conc1[N-]C(=O)c1c(C)onc1-c1ccccc1 ZINC000154525557 371853945 /nfs/dbraw/zinc/85/39/45/371853945.db2.gz DLVDYJGWPHWSFE-UHFFFAOYSA-N -1 3 283.287 3.199 20 0 CGADHM C[C@H]1C[C@H]1c1cc(NC(=O)c2cc([O-])ccc2Cl)n[nH]1 ZINC000290309707 371959675 /nfs/dbraw/zinc/95/96/75/371959675.db2.gz FTNOSYQTIDOWMZ-IONNQARKSA-N -1 3 291.738 3.144 20 0 CGADHM CCN(Cc1nc(C)ccc1[O-])[C@@H](C)c1cccnc1 ZINC000290464813 371995187 /nfs/dbraw/zinc/99/51/87/371995187.db2.gz NFTBFOCNLNRWFJ-ZDUSSCGKSA-N -1 3 271.364 3.074 20 0 CGADHM CC(C)N(CCC(=O)[O-])Cc1coc(-c2ccccc2)n1 ZINC000037596249 541865665 /nfs/dbraw/zinc/86/56/65/541865665.db2.gz YIYGBKAHSJZDJS-UHFFFAOYSA-N -1 3 288.347 3.027 20 0 CGADHM CC(C)N(CCC(=O)[O-])Cc1ncc(-c2ccccc2)o1 ZINC000037596222 541864889 /nfs/dbraw/zinc/86/48/89/541864889.db2.gz PNURZAGUVKRTFM-UHFFFAOYSA-N -1 3 288.347 3.027 20 0 CGADHM CC(C)CO[N-]C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000158158087 372055783 /nfs/dbraw/zinc/05/57/83/372055783.db2.gz MWYSIACGEIFHDX-UHFFFAOYSA-N -1 3 291.395 3.386 20 0 CGADHM CC(C)Cn1cc(NC(=O)c2cc([O-])ccc2Cl)cn1 ZINC000290883883 372069743 /nfs/dbraw/zinc/06/97/43/372069743.db2.gz QFJABNURCVSRPB-UHFFFAOYSA-N -1 3 293.754 3.150 20 0 CGADHM O=C(N[C@@H](C1CC1)C(F)(F)F)c1cc([O-])ccc1Cl ZINC000290941447 372079739 /nfs/dbraw/zinc/07/97/39/372079739.db2.gz PYMSDJFEGKYSSD-JTQLQIEISA-N -1 3 293.672 3.116 20 0 CGADHM CC(C)CO[N-]C(=O)Nc1ccc(OC(C)C)cc1 ZINC000159038782 372101981 /nfs/dbraw/zinc/10/19/81/372101981.db2.gz NATPUCPIMXRURB-UHFFFAOYSA-N -1 3 266.341 3.183 20 0 CGADHM CCN(C[C@H](C)OC)C(=O)c1ccc(C(C)C)cc1[O-] ZINC000291328843 372160512 /nfs/dbraw/zinc/16/05/12/372160512.db2.gz UIIYXEUDBLFUGA-LBPRGKRZSA-N -1 3 279.380 3.013 20 0 CGADHM Cc1ccc(NC(=O)[N-]OCC2CC2)cc1-c1ncco1 ZINC000292765532 372204103 /nfs/dbraw/zinc/20/41/03/372204103.db2.gz STPQSNKUGXVSPX-UHFFFAOYSA-N -1 3 287.319 3.113 20 0 CGADHM CCO[C@H](C[N-]c1nnc(C(F)F)o1)c1ccccc1 ZINC000292939600 372254721 /nfs/dbraw/zinc/25/47/21/372254721.db2.gz FEYDDUWEXLCCNA-SNVBAGLBSA-N -1 3 283.278 3.197 20 0 CGADHM O=C([O-])CC[C@H]1CCCN(C/C=C/c2ccccc2)C1 ZINC000043585193 541873248 /nfs/dbraw/zinc/87/32/48/541873248.db2.gz IJWHPTZCEZNAFP-KZJSRBBCSA-N -1 3 273.376 3.277 20 0 CGADHM CC1(C)SC[C@@H]1NCc1cccc([O-])c1Cl ZINC000293315801 372352624 /nfs/dbraw/zinc/35/26/24/372352624.db2.gz QOYUDRISHVAXNY-JTQLQIEISA-N -1 3 257.786 3.029 20 0 CGADHM CCN(CC)Cc1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000293461279 372388828 /nfs/dbraw/zinc/38/88/28/372388828.db2.gz QTEQNZSQEXZIEF-UHFFFAOYSA-N -1 3 297.358 3.437 20 0 CGADHM CC1(C)CN(C(=O)c2cccc([O-])c2)[C@H]1c1cccnc1 ZINC000293750183 372468761 /nfs/dbraw/zinc/46/87/61/372468761.db2.gz MDGYQIJWBNHXTN-HNNXBMFYSA-N -1 3 282.343 3.011 20 0 CGADHM CCCc1ccccc1NC(=O)c1c[n-]c(C(=O)OC)c1 ZINC000431939084 372519068 /nfs/dbraw/zinc/51/90/68/372519068.db2.gz ONQLSFJYHOHKQX-UHFFFAOYSA-N -1 3 286.331 3.006 20 0 CGADHM Cc1cc(C)c2[n-]cc(C(=O)N3CC[C@H](C)[C@@H]3C)c(=O)c2c1 ZINC000164472693 372520071 /nfs/dbraw/zinc/52/00/71/372520071.db2.gz XIFISAIUTLOGJJ-AAEUAGOBSA-N -1 3 298.386 3.428 20 0 CGADHM [O-]c1cccc(CN2C[C@H]3CCC[C@@H]3C2)c1Cl ZINC000295217178 372705289 /nfs/dbraw/zinc/70/52/89/372705289.db2.gz BHEAHQADQUJHMT-GHMZBOCLSA-N -1 3 251.757 3.278 20 0 CGADHM CCCN(Cc1cccc([O-])c1Cl)CC(C)(C)O ZINC000295221222 372707708 /nfs/dbraw/zinc/70/77/08/372707708.db2.gz BRJQQUUPCGXKEJ-UHFFFAOYSA-N -1 3 271.788 3.029 20 0 CGADHM C[C@H]1CCc2ccccc2[C@H]1NC(=O)c1ccc(O)cc1[O-] ZINC000436711172 372838616 /nfs/dbraw/zinc/83/86/16/372838616.db2.gz DXLUWFLYUZGXCM-GTNSWQLSSA-N -1 3 297.354 3.151 20 0 CGADHM C[C@H]1CN(C(=O)c2ccc3c(c2[O-])CCCC3)CC[C@@H]1C ZINC000436989352 372842500 /nfs/dbraw/zinc/84/25/00/372842500.db2.gz QZUXHWMBBJITMM-STQMWFEESA-N -1 3 287.403 3.389 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CC[C@H](C)C(C)(C)C2)c1 ZINC000436954037 372842579 /nfs/dbraw/zinc/84/25/79/372842579.db2.gz DFLIINUZHRJKDQ-LBPRGKRZSA-N -1 3 261.365 3.209 20 0 CGADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CC(C2CCC2)C1 ZINC000436861950 372843035 /nfs/dbraw/zinc/84/30/35/372843035.db2.gz CYKVUFLYKKQNTJ-UHFFFAOYSA-N -1 3 285.387 3.143 20 0 CGADHM CC(C)O[N-]C(=O)[C@@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000295722811 372889615 /nfs/dbraw/zinc/88/96/15/372889615.db2.gz QRWXFCAMDZFMIJ-DTWKUNHWSA-N -1 3 271.719 3.039 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)c2cc(C3CC3)[nH]n2)c1[O-] ZINC000172082382 372898244 /nfs/dbraw/zinc/89/82/44/372898244.db2.gz CRZJHXPZUUQTOC-UHFFFAOYSA-N -1 3 291.738 3.207 20 0 CGADHM C[C@H](CC(F)(F)F)NC(=O)Cc1ccc([O-])cc1Cl ZINC000344817219 217321135 /nfs/dbraw/zinc/32/11/35/217321135.db2.gz DJESXGMUCRYMEK-SSDOTTSWSA-N -1 3 295.688 3.045 20 0 CGADHM COc1cc(C(=O)N(C)CC2CCCCC2)ccc1[O-] ZINC000442661201 373062710 /nfs/dbraw/zinc/06/27/10/373062710.db2.gz UBHVAQWKCBGECJ-UHFFFAOYSA-N -1 3 277.364 3.053 20 0 CGADHM O=C(Nc1ccc(OC(F)(F)F)cc1[O-])C1CC=CC1 ZINC000442798590 373089072 /nfs/dbraw/zinc/08/90/72/373089072.db2.gz JIRAQIUMSVEXTC-UHFFFAOYSA-N -1 3 287.237 3.196 20 0 CGADHM CCCOc1cc(C)ccc1NC([O-])=NOC(C)C ZINC000296549725 373174407 /nfs/dbraw/zinc/17/44/07/373174407.db2.gz VZHSOOGHBIGABC-UHFFFAOYSA-N -1 3 266.341 3.245 20 0 CGADHM CCCOc1cc(C)ccc1NC(=O)[N-]OC(C)C ZINC000296549725 373174414 /nfs/dbraw/zinc/17/44/14/373174414.db2.gz VZHSOOGHBIGABC-UHFFFAOYSA-N -1 3 266.341 3.245 20 0 CGADHM COc1ccc([O-])c(C(=O)Nc2cc3[nH]ccc3cc2C)c1 ZINC000444448302 373189916 /nfs/dbraw/zinc/18/99/16/373189916.db2.gz NSJHSIXHUJGAFK-UHFFFAOYSA-N -1 3 296.326 3.443 20 0 CGADHM O=C(NCc1ccc([O-])c(F)c1)N1CCC2(CCCC2)C1 ZINC000175189687 373426379 /nfs/dbraw/zinc/42/63/79/373426379.db2.gz QXPFZHYYIREEKR-UHFFFAOYSA-N -1 3 292.354 3.007 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CCSC(C)(C)CC2)c1 ZINC000447638651 373468555 /nfs/dbraw/zinc/46/85/55/373468555.db2.gz COZLAYKTPNXGBK-UHFFFAOYSA-N -1 3 293.432 3.312 20 0 CGADHM CSCCC(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000175825659 373524796 /nfs/dbraw/zinc/52/47/96/373524796.db2.gz LJFUFPASWXENEU-UHFFFAOYSA-N -1 3 279.283 3.103 20 0 CGADHM Cc1ccc([O-])c(C(=O)N[C@@H]2C[C@H]2c2cccc(F)c2)c1 ZINC000447770212 373485031 /nfs/dbraw/zinc/48/50/31/373485031.db2.gz RVPYTBIYNATKCQ-DZGCQCFKSA-N -1 3 285.318 3.126 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)N[C@@H]1CCCc2ccccc21 ZINC000448561504 373595968 /nfs/dbraw/zinc/59/59/68/373595968.db2.gz OOAXHEBVOYOTPX-MRXNPFEDSA-N -1 3 299.345 3.268 20 0 CGADHM COc1cccc(-c2noc([N-]Cc3ncccc3C)n2)c1 ZINC000301395690 373770991 /nfs/dbraw/zinc/77/09/91/373770991.db2.gz FMNFJUISMNCXRU-UHFFFAOYSA-N -1 3 296.330 3.061 20 0 CGADHM Cc1cccc([O-])c1NC(=O)Cc1noc2ccccc21 ZINC000179550845 373885939 /nfs/dbraw/zinc/88/59/39/373885939.db2.gz VWZOYGDQIVDRIY-UHFFFAOYSA-N -1 3 282.299 3.023 20 0 CGADHM Cc1cccc([O-])c1NC(=O)[C@@H](C)Oc1cccc(F)c1 ZINC000179556438 373886591 /nfs/dbraw/zinc/88/65/91/373886591.db2.gz VZBLOQYKFAHQBQ-LLVKDONJSA-N -1 3 289.306 3.246 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)C2C[C@H](C)O[C@@H](C)C2)c1[O-] ZINC000180007139 373953187 /nfs/dbraw/zinc/95/31/87/373953187.db2.gz LDCYKVLXRVSKCW-UWVGGRQHSA-N -1 3 297.782 3.496 20 0 CGADHM C[C@H]1CN(C(=O)c2cccc([O-])c2)[C@@H]2CCCC[C@H]12 ZINC000180516887 374017033 /nfs/dbraw/zinc/01/70/33/374017033.db2.gz DTCQPGLQJRQMKY-NILFDRSVSA-N -1 3 259.349 3.043 20 0 CGADHM Cc1cccc(O[C@H](C)CNC(=O)c2cc(C)ccc2[O-])c1 ZINC000303980889 374033126 /nfs/dbraw/zinc/03/31/26/374033126.db2.gz XLEWKXNWDVJDAD-CQSZACIVSA-N -1 3 299.370 3.206 20 0 CGADHM Cc1cccc(C)c1CC(=O)Nc1cc(F)ccc1[O-] ZINC000180880971 374054970 /nfs/dbraw/zinc/05/49/70/374054970.db2.gz PWUWUSQKQQZRHJ-UHFFFAOYSA-N -1 3 273.307 3.329 20 0 CGADHM Cc1cc(C(=O)N2CC[C@H](CC(C)C)C2)ccc1[O-] ZINC000307782534 374152272 /nfs/dbraw/zinc/15/22/72/374152272.db2.gz VXVWYAQJAUIUET-CYBMUJFWSA-N -1 3 261.365 3.209 20 0 CGADHM C[C@@H](CNCc1ccc(Cl)cc1Cl)CC(=O)[O-] ZINC000310506168 374218238 /nfs/dbraw/zinc/21/82/38/374218238.db2.gz KNCIAIHRDIAQLW-MRVPVSSYSA-N -1 3 276.163 3.194 20 0 CGADHM COc1ccccc1C(C)(C)NC(=O)c1cccc([O-])c1 ZINC000182355536 374263294 /nfs/dbraw/zinc/26/32/94/374263294.db2.gz DBROWZQPRSZHPS-UHFFFAOYSA-N -1 3 285.343 3.066 20 0 CGADHM CCn1ncc2ccc(NC(=O)c3cccc([O-])c3)cc21 ZINC000182251320 374246413 /nfs/dbraw/zinc/24/64/13/374246413.db2.gz CICRQTCGIVBOCX-UHFFFAOYSA-N -1 3 281.315 3.014 20 0 CGADHM Cc1ccn(-c2ccccc2NC(=O)c2cccc([O-])c2)n1 ZINC000182606134 374298252 /nfs/dbraw/zinc/29/82/52/374298252.db2.gz WJTZHUJXQPXFSU-UHFFFAOYSA-N -1 3 293.326 3.139 20 0 CGADHM Cc1cccc([C@H](C)CNC(=O)c2cccc([O-])c2)c1 ZINC000182495631 374281232 /nfs/dbraw/zinc/28/12/32/374281232.db2.gz KWDPWDLPMORTJN-CYBMUJFWSA-N -1 3 269.344 3.234 20 0 CGADHM CN(C(=O)c1cccc([O-])c1)c1ccc(F)c(Cl)c1 ZINC000182995356 374354526 /nfs/dbraw/zinc/35/45/26/374354526.db2.gz AKSNYICQHWKCGA-UHFFFAOYSA-N -1 3 279.698 3.461 20 0 CGADHM [O-]c1cccc(CNC[C@@H]2CCCS2)c1Cl ZINC000328231796 374362471 /nfs/dbraw/zinc/36/24/71/374362471.db2.gz OKWISFIYJDAOJP-JTQLQIEISA-N -1 3 257.786 3.031 20 0 CGADHM CN(Cc1ccc(Cl)c(F)c1)C(=O)c1cccc([O-])c1 ZINC000182953072 374350095 /nfs/dbraw/zinc/35/00/95/374350095.db2.gz AOWRCEOBVFHONK-UHFFFAOYSA-N -1 3 293.725 3.457 20 0 CGADHM O=C(Nc1ccc([O-])cc1F)C1(c2ccc(F)cc2)CC1 ZINC000183244767 374391550 /nfs/dbraw/zinc/39/15/50/374391550.db2.gz HLBWVZZGGJDRQU-UHFFFAOYSA-N -1 3 289.281 3.341 20 0 CGADHM O=C(Nc1ccc([O-])cc1F)c1cc(-c2ccccc2)[nH]n1 ZINC000183257824 374392374 /nfs/dbraw/zinc/39/23/74/374392374.db2.gz COWWQINJZLZOHF-UHFFFAOYSA-N -1 3 297.289 3.174 20 0 CGADHM CCOCCC1(C(=O)Nc2ccc([O-])cc2F)CCCC1 ZINC000183362491 374406154 /nfs/dbraw/zinc/40/61/54/374406154.db2.gz CILHYYMQSGHSCC-UHFFFAOYSA-N -1 3 295.354 3.457 20 0 CGADHM [O-]c1cc(F)cc(CNc2ccc(F)c(F)c2)c1 ZINC000184131870 374495093 /nfs/dbraw/zinc/49/50/93/374495093.db2.gz KIYXRAZMGXNMRQ-UHFFFAOYSA-N -1 3 253.223 3.422 20 0 CGADHM COc1cccc2c1[C@@H](C(=O)Nc1c(C)cccc1[O-])CC2 ZINC000334166634 206128720 /nfs/dbraw/zinc/12/87/20/206128720.db2.gz ARSDOJNDVXDIHD-ZDUSSCGKSA-N -1 3 297.354 3.378 20 0 CGADHM CN(C)c1ccccc1NCc1cc([O-])cc(F)c1 ZINC000184138326 374497355 /nfs/dbraw/zinc/49/73/55/374497355.db2.gz UIFVZODETUWFNP-UHFFFAOYSA-N -1 3 260.312 3.209 20 0 CGADHM CCO[C@H]1C[C@@H]1C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000332027302 374550159 /nfs/dbraw/zinc/55/01/59/374550159.db2.gz WRMCQEQYZHJWHB-FZMZJTMJSA-N -1 3 277.364 3.053 20 0 CGADHM CCc1ccc([O-])c(C(=O)NCC(C)(C)c2ccncc2)c1 ZINC000091835330 541970244 /nfs/dbraw/zinc/97/02/44/541970244.db2.gz VXIZBVHAJGABDR-UHFFFAOYSA-N -1 3 298.386 3.057 20 0 CGADHM Cc1ncc(NC(=O)c2cc([O-])ccc2Cl)s1 ZINC000334350503 374676020 /nfs/dbraw/zinc/67/60/20/374676020.db2.gz VOBISDQLTCHFBZ-UHFFFAOYSA-N -1 3 268.725 3.063 20 0 CGADHM CCc1nc([C@H](C)NCc2cc([O-])cc(F)c2)cs1 ZINC000185530995 374681513 /nfs/dbraw/zinc/68/15/13/374681513.db2.gz QMRGSQRGDSXYPH-VIFPVBQESA-N -1 3 280.368 3.401 20 0 CGADHM CC(C)[C@@H]1N(C(=O)c2cc(=O)c3ccccc3[n-]2)CC1(C)C ZINC000334367472 374688588 /nfs/dbraw/zinc/68/85/88/374688588.db2.gz KPLZGCHOARNLLT-INIZCTEOSA-N -1 3 298.386 3.035 20 0 CGADHM Cc1ccc(C(=O)N2CC[C@H](C(F)(F)F)[C@@H]2C)c([O-])c1 ZINC000334430828 374745235 /nfs/dbraw/zinc/74/52/35/374745235.db2.gz JYVNFCPVDILLCP-ONGXEEELSA-N -1 3 287.281 3.114 20 0 CGADHM CSc1cccc(F)c1C(=O)Nc1nc(C)ccc1[O-] ZINC000334394738 374712073 /nfs/dbraw/zinc/71/20/73/374712073.db2.gz BFJTVGQTIVZRTF-UHFFFAOYSA-N -1 3 292.335 3.209 20 0 CGADHM O=C(c1cc([O-])ccc1Cl)N1CC2(C1)CCCC2 ZINC000334421455 374735830 /nfs/dbraw/zinc/73/58/30/374735830.db2.gz UCQIVQDWUMHFBU-UHFFFAOYSA-N -1 3 265.740 3.062 20 0 CGADHM Cc1cc(C(=O)N[C@H](C)c2ccc(Cl)cn2)ccc1[O-] ZINC000334475116 374780781 /nfs/dbraw/zinc/78/07/81/374780781.db2.gz LZAOEPKGFBWOFY-SNVBAGLBSA-N -1 3 290.750 3.240 20 0 CGADHM CCC[C@H](NC(=O)NCc1ccc([O-])c(F)c1)C1CCC1 ZINC000458421021 374787609 /nfs/dbraw/zinc/78/76/09/374787609.db2.gz PXWWWCHMIIMUDD-AWEZNQCLSA-N -1 3 294.370 3.299 20 0 CGADHM CCc1cccc(C)c1NC(=O)c1cccc2nn[n-]c21 ZINC000187391547 375015219 /nfs/dbraw/zinc/01/52/19/375015219.db2.gz GHHBTORKSGJTSG-UHFFFAOYSA-N -1 3 280.331 3.081 20 0 CGADHM CCc1cccc(C)c1NC(=O)c1cccc2[n-]nnc21 ZINC000187391547 375015223 /nfs/dbraw/zinc/01/52/23/375015223.db2.gz GHHBTORKSGJTSG-UHFFFAOYSA-N -1 3 280.331 3.081 20 0 CGADHM CCc1cccc(C)c1NC(=O)c1cccc2n[n-]nc21 ZINC000187391547 375015225 /nfs/dbraw/zinc/01/52/25/375015225.db2.gz GHHBTORKSGJTSG-UHFFFAOYSA-N -1 3 280.331 3.081 20 0 CGADHM CCc1ccc(C(=O)N2CCS[C@@H](C(C)C)C2)c([O-])c1 ZINC000187966566 375127680 /nfs/dbraw/zinc/12/76/80/375127680.db2.gz UGRTXTBHAFMHKX-OAHLLOKOSA-N -1 3 293.432 3.168 20 0 CGADHM CC(C)c1[nH]ccc1C(=O)Nc1ccc([O-])cc1F ZINC000335084720 375117421 /nfs/dbraw/zinc/11/74/21/375117421.db2.gz KENOXVIHZDIJGI-UHFFFAOYSA-N -1 3 262.284 3.235 20 0 CGADHM CCc1ccc(C(=O)N(CC)Cc2ccccn2)c([O-])c1 ZINC000188286055 375191074 /nfs/dbraw/zinc/19/10/74/375191074.db2.gz MOOJAHBUERBOIL-UHFFFAOYSA-N -1 3 284.359 3.012 20 0 CGADHM Cc1ccc(C)c(NC(=O)c2n[n-]nc2-c2ccccc2)c1 ZINC000188381214 375207390 /nfs/dbraw/zinc/20/73/90/375207390.db2.gz FNFXLEDQSOJQQM-UHFFFAOYSA-N -1 3 292.342 3.341 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-][C@H](C)CC2CCCCC2)o1 ZINC000487363106 375232129 /nfs/dbraw/zinc/23/21/29/375232129.db2.gz IIADLMLSVFLJFH-LLVKDONJSA-N -1 3 285.409 3.225 20 0 CGADHM O=C(N[C@@H]1CCCC[C@H]1F)c1cc([O-])ccc1Cl ZINC000335477787 375320613 /nfs/dbraw/zinc/32/06/13/375320613.db2.gz AIQMCBQMBXYOCC-VXGBXAGGSA-N -1 3 271.719 3.056 20 0 CGADHM O=C(N[C@@H]1CC[C@H](F)C1)c1cc([O-])ccc1C(F)(F)F ZINC000335315636 375261470 /nfs/dbraw/zinc/26/14/70/375261470.db2.gz HIYRWRSYFYVPTO-JGVFFNPUSA-N -1 3 291.244 3.031 20 0 CGADHM CCc1[n-][nH]c(=NC(=O)c2ccc(C)c(Cl)c2F)c1C ZINC000335734665 375387354 /nfs/dbraw/zinc/38/73/54/375387354.db2.gz QXWYFBXELLOCMV-UHFFFAOYSA-N -1 3 295.745 3.056 20 0 CGADHM Cc1ccc(C[S@](=O)c2ccc([O-])cc2)cc1C ZINC000190545291 375519146 /nfs/dbraw/zinc/51/91/46/375519146.db2.gz JAKNZKFSDALOQK-SFHVURJKSA-N -1 3 260.358 3.317 20 0 CGADHM COCc1ccc(C(=O)[N-]c2ccc(O)cc2SC)o1 ZINC000191161938 375587902 /nfs/dbraw/zinc/58/79/02/375587902.db2.gz KHIXCRWMQOYOOP-UHFFFAOYSA-N -1 3 293.344 3.106 20 0 CGADHM CCc1cc(C(=O)N2CCC[C@@H]2c2cccnc2)ccc1[O-] ZINC000336083997 375673563 /nfs/dbraw/zinc/67/35/63/375673563.db2.gz PKCZGHXZPXTMMO-MRXNPFEDSA-N -1 3 296.370 3.327 20 0 CGADHM CN(CCc1ccccc1)Cc1c(F)ccc([O-])c1F ZINC000507116335 375674837 /nfs/dbraw/zinc/67/48/37/375674837.db2.gz OZOWXTALFRZXIT-UHFFFAOYSA-N -1 3 277.314 3.345 20 0 CGADHM C[C@@H](c1cccc(Cl)c1)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000263140428 296233043 /nfs/dbraw/zinc/23/30/43/296233043.db2.gz DONOXJADPDGSFU-NTZNESFSSA-N -1 3 281.783 3.444 20 0 CGADHM CC(=O)c1cccc(NC(=O)c2ccc(C)s2)c1[O-] ZINC000336143669 375721387 /nfs/dbraw/zinc/72/13/87/375721387.db2.gz PBOKBYAQGCTWSH-UHFFFAOYSA-N -1 3 275.329 3.217 20 0 CGADHM O=C(CCc1ccccc1F)Nc1ccc([O-])cc1F ZINC000124494963 542032981 /nfs/dbraw/zinc/03/29/81/542032981.db2.gz GTHONLFEZVSQDT-UHFFFAOYSA-N -1 3 277.270 3.242 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CCC[C@H]2c2cccnc2)c1 ZINC000336137148 375716740 /nfs/dbraw/zinc/71/67/40/375716740.db2.gz QQSBMIAWUHDZEJ-HNNXBMFYSA-N -1 3 282.343 3.073 20 0 CGADHM C[C@H](c1ccccn1)N(C)C(=O)c1cc([O-])ccc1Cl ZINC000336159975 375736994 /nfs/dbraw/zinc/73/69/94/375736994.db2.gz RCNCYZGESJFSOK-SNVBAGLBSA-N -1 3 290.750 3.274 20 0 CGADHM Cc1ccc(NC(=O)c2ccoc2Cl)c([O-])c1 ZINC000192398200 375746399 /nfs/dbraw/zinc/74/63/99/375746399.db2.gz CJSLCFKGSCELGI-UHFFFAOYSA-N -1 3 251.669 3.199 20 0 CGADHM CCN(CCc1ccccc1)C(=O)c1cccc(OC)c1[O-] ZINC000192456021 375752730 /nfs/dbraw/zinc/75/27/30/375752730.db2.gz LDVYFRWWGCLJMQ-UHFFFAOYSA-N -1 3 299.370 3.106 20 0 CGADHM [O-]c1ccc(F)c(CN2CC[C@H]2Cc2ccccc2)c1F ZINC000508811777 375761823 /nfs/dbraw/zinc/76/18/23/375761823.db2.gz LSNSXSBSMKLQKR-ZDUSSCGKSA-N -1 3 289.325 3.487 20 0 CGADHM CSc1ccc(NC(=O)c2ccc([O-])c(C)c2)nc1 ZINC000336534333 375813255 /nfs/dbraw/zinc/81/32/55/375813255.db2.gz RFACAAIXICBEQO-UHFFFAOYSA-N -1 3 274.345 3.070 20 0 CGADHM CCCCN(CCOC)Cc1c(Cl)cccc1C(=O)[O-] ZINC000516301216 375818865 /nfs/dbraw/zinc/81/88/65/375818865.db2.gz NYIDEILUGOOURJ-UHFFFAOYSA-N -1 3 299.798 3.287 20 0 CGADHM CC[C@@H](N[C@H](C)c1nc(C)cc(=O)[n-]1)c1nc(C)cs1 ZINC000192777461 375788277 /nfs/dbraw/zinc/78/82/77/375788277.db2.gz RXTJCLXJZYJYEX-GHMZBOCLSA-N -1 3 292.408 3.057 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])c1ccoc1C1CC1 ZINC000334270615 206287576 /nfs/dbraw/zinc/28/75/76/206287576.db2.gz SLIACDHWGXBLBC-UHFFFAOYSA-N -1 3 261.252 3.254 20 0 CGADHM CCCCC1CCC(C(=O)Nc2nnc(SC)[n-]2)CC1 ZINC000520505920 375859456 /nfs/dbraw/zinc/85/94/56/375859456.db2.gz GAVKYHHBWMIXGK-UHFFFAOYSA-N -1 3 296.440 3.462 20 0 CGADHM CCCCC1CCC(C(=O)Nc2nc(SC)n[n-]2)CC1 ZINC000520505920 375859459 /nfs/dbraw/zinc/85/94/59/375859459.db2.gz GAVKYHHBWMIXGK-UHFFFAOYSA-N -1 3 296.440 3.462 20 0 CGADHM CCCCC1CCC(C(=O)Nc2n[n-]c(SC)n2)CC1 ZINC000520505920 375859462 /nfs/dbraw/zinc/85/94/62/375859462.db2.gz GAVKYHHBWMIXGK-UHFFFAOYSA-N -1 3 296.440 3.462 20 0 CGADHM C[C@@H](c1nc2ccccc2s1)N(C)CC1(C(=O)[O-])CC1 ZINC000520594009 375866430 /nfs/dbraw/zinc/86/64/30/375866430.db2.gz BZNXGAIITVWCTL-JTQLQIEISA-N -1 3 290.388 3.154 20 0 CGADHM CCC[C@@]1(COC)CCCN1C(=O)c1cccc(C)c1[O-] ZINC000193742392 375916745 /nfs/dbraw/zinc/91/67/45/375916745.db2.gz ISWXRDVRMOBGNL-KRWDZBQOSA-N -1 3 291.391 3.122 20 0 CGADHM CCC[C@@H]1CCc2nc(NC([O-])=NOCC)sc2C1 ZINC000194561367 376020043 /nfs/dbraw/zinc/02/00/43/376020043.db2.gz LZZJKLXYBLXJHO-SECBINFHSA-N -1 3 283.397 3.121 20 0 CGADHM CCC[C@@H]1CCc2nc(NC(=O)[N-]OCC)sc2C1 ZINC000194561367 376020047 /nfs/dbraw/zinc/02/00/47/376020047.db2.gz LZZJKLXYBLXJHO-SECBINFHSA-N -1 3 283.397 3.121 20 0 CGADHM CCc1cccc(C(=O)N(CC(C)C)C2CC2)c1[O-] ZINC000537643619 376189404 /nfs/dbraw/zinc/18/94/04/376189404.db2.gz DJPJDCOJDXXWSH-UHFFFAOYSA-N -1 3 261.365 3.215 20 0 CGADHM CCc1cccc(C(=O)N2CCC[C@@H]2c2ccccn2)c1[O-] ZINC000538745138 376267268 /nfs/dbraw/zinc/26/72/68/376267268.db2.gz UOBGTSOAANCYOG-MRXNPFEDSA-N -1 3 296.370 3.327 20 0 CGADHM CCS[C@@H]1CCC[C@H]1NC(=O)c1ccc(C)cc1[O-] ZINC000225705741 376321824 /nfs/dbraw/zinc/32/18/24/376321824.db2.gz KDAMXBWIKFBHOO-TZMCWYRMSA-N -1 3 279.405 3.105 20 0 CGADHM CCC(CC)(OC)c1noc(-c2ccccc2[O-])n1 ZINC000227834052 376415135 /nfs/dbraw/zinc/41/51/35/376415135.db2.gz WNYLXTNCIZMIEA-UHFFFAOYSA-N -1 3 262.309 3.104 20 0 CGADHM Cc1ccc(NC(=O)c2c[n-]nc2-c2ccncc2)cc1 ZINC000338372465 376355084 /nfs/dbraw/zinc/35/50/84/376355084.db2.gz PKMIBHSUFSASOT-UHFFFAOYSA-N -1 3 278.315 3.032 20 0 CGADHM Cc1ccc(NC(=O)c2cn[n-]c2-c2ccncc2)cc1 ZINC000338372465 376355086 /nfs/dbraw/zinc/35/50/86/376355086.db2.gz PKMIBHSUFSASOT-UHFFFAOYSA-N -1 3 278.315 3.032 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](C(C)C)C2)o1 ZINC000540204984 376365578 /nfs/dbraw/zinc/36/55/78/376365578.db2.gz KRTOEUUTZFRNIR-CHWSQXEVSA-N -1 3 285.409 3.081 20 0 CGADHM COCc1cccc(NC(=O)c2ccc([O-])c(C)c2)c1 ZINC000226715973 376370293 /nfs/dbraw/zinc/37/02/93/376370293.db2.gz PYZDUHFVLZSQOU-UHFFFAOYSA-N -1 3 271.316 3.099 20 0 CGADHM CC(C)[C@]1(C(=O)[O-])CCN(Cc2cc(Cl)ccc2F)C1 ZINC000232747892 376587485 /nfs/dbraw/zinc/58/74/85/376587485.db2.gz CMPDVANWSRMXHF-HNNXBMFYSA-N -1 3 299.773 3.412 20 0 CGADHM Cc1nc(CN(C)C(=O)c2cc([O-])ccc2Cl)cs1 ZINC000234327714 376614320 /nfs/dbraw/zinc/61/43/20/376614320.db2.gz CDIPOPNMFXZERN-UHFFFAOYSA-N -1 3 296.779 3.083 20 0 CGADHM Cc1cc(C(=O)N[C@@H](C(C)(C)C)C(F)(F)F)ccc1[O-] ZINC000543712960 376668488 /nfs/dbraw/zinc/66/84/88/376668488.db2.gz XCPVTQFJODLZKD-LBPRGKRZSA-N -1 3 289.297 3.407 20 0 CGADHM Cc1cnc([C@H](C)NC(=O)c2cc([O-])ccc2Cl)s1 ZINC000235506116 376643364 /nfs/dbraw/zinc/64/33/64/376643364.db2.gz AWTLKZJFXAEUSD-QMMMGPOBSA-N -1 3 296.779 3.302 20 0 CGADHM CCc1cccc(C(=O)N(C)C[C@@H]2CC=CCC2)c1[O-] ZINC000544305006 376720882 /nfs/dbraw/zinc/72/08/82/376720882.db2.gz COUWYHISQWPZBY-CYBMUJFWSA-N -1 3 273.376 3.383 20 0 CGADHM CCC[C@H]1CCCC[C@@H]1NC(=O)c1cccc([O-])c1 ZINC000543745055 376673490 /nfs/dbraw/zinc/67/34/90/376673490.db2.gz OPKBNNUMMFTHCQ-WFASDCNBSA-N -1 3 261.365 3.481 20 0 CGADHM CCC[C@@H]1CCCC[C@@H]1NC(=O)c1cccc([O-])c1 ZINC000543745052 376673572 /nfs/dbraw/zinc/67/35/72/376673572.db2.gz OPKBNNUMMFTHCQ-DOMZBBRYSA-N -1 3 261.365 3.481 20 0 CGADHM CCc1cccc(-c2nc(-c3cccnc3)no2)c1[O-] ZINC000544614714 376752218 /nfs/dbraw/zinc/75/22/18/376752218.db2.gz KATAAVRSMMPYBS-UHFFFAOYSA-N -1 3 267.288 3.067 20 0 CGADHM COc1ccc(NC(=O)c2cc3ccccc3[nH]2)c([O-])c1 ZINC000135422788 542087570 /nfs/dbraw/zinc/08/75/70/542087570.db2.gz BNXAGVVAFYYSCG-UHFFFAOYSA-N -1 3 282.299 3.134 20 0 CGADHM COc1ccc(NC(=O)c2ccc(C)s2)c([O-])c1 ZINC000135426222 542088149 /nfs/dbraw/zinc/08/81/49/542088149.db2.gz WAEFBPCAXCXSHH-UHFFFAOYSA-N -1 3 263.318 3.023 20 0 CGADHM C[C@H]1CCCCCN1Cn1[n-]c(C(C)(C)C)nc1=S ZINC000738227820 572367795 /nfs/dbraw/zinc/36/77/95/572367795.db2.gz ZVFDVOYDIRAAPV-NSHDSACASA-N -1 3 282.457 3.460 20 0 CGADHM O=C(Nc1c([O-])cccc1Cl)c1noc2c1CCCC2 ZINC000557181260 376924650 /nfs/dbraw/zinc/92/46/50/376924650.db2.gz OJVVZBQAKLNTAG-UHFFFAOYSA-N -1 3 292.722 3.165 20 0 CGADHM CCOc1ccc(F)c([N-]C(=O)c2cnc(C)s2)c1F ZINC000340453921 377067690 /nfs/dbraw/zinc/06/76/90/377067690.db2.gz RYXKMVRBDSALQY-UHFFFAOYSA-N -1 3 298.314 3.381 20 0 CGADHM [O-]c1cccc(/C=C/c2nc(-c3ccco3)no2)c1 ZINC000340663368 377198439 /nfs/dbraw/zinc/19/84/39/377198439.db2.gz WRDHSNGJEIJVPB-VOTSOKGWSA-N -1 3 254.245 3.206 20 0 CGADHM Cc1ccc(C(=O)N2C[C@H](C)[C@@H]3CCCC[C@H]32)c([O-])c1 ZINC000248385303 377301446 /nfs/dbraw/zinc/30/14/46/377301446.db2.gz HWJFMHYKYAUXKY-KCQAQPDRSA-N -1 3 273.376 3.351 20 0 CGADHM CCC[C@H](C)C[C@H](NCc1ccc(F)cc1F)C(=O)[O-] ZINC000562929097 377372674 /nfs/dbraw/zinc/37/26/74/377372674.db2.gz CZXRTFDTXPDYOZ-HZMBPMFUSA-N -1 3 285.334 3.334 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N2CC[C@@H](c3ccccc3)[C@@H]2C)n1 ZINC000248737599 377390669 /nfs/dbraw/zinc/39/06/69/377390669.db2.gz LHCUDLMNLYHPRR-OFQRWUPVSA-N -1 3 297.402 3.430 20 0 CGADHM FC(F)(F)c1c[n-]c(=NCCC2(F)CCC2)s1 ZINC000340984772 377347646 /nfs/dbraw/zinc/34/76/46/377347646.db2.gz XNCWYOWBLVSZJI-UHFFFAOYSA-N -1 3 268.279 3.278 20 0 CGADHM O=C([O-])c1ccoc1CN1CCC[C@@H]1c1ccccc1 ZINC000563277490 377431750 /nfs/dbraw/zinc/43/17/50/377431750.db2.gz MUQZZFHDWIVBKA-CQSZACIVSA-N -1 3 271.316 3.315 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CCCC(C)(C)CC2)c1 ZINC000087658468 249024361 /nfs/dbraw/zinc/02/43/61/249024361.db2.gz NIJCDMGFBCNGMZ-UHFFFAOYSA-N -1 3 261.365 3.353 20 0 CGADHM Cc1ccc(C(=O)N2CCCC(C)(C)CC2)c([O-])c1 ZINC000087658501 249024854 /nfs/dbraw/zinc/02/48/54/249024854.db2.gz KSDBMWUOCDZVOV-UHFFFAOYSA-N -1 3 261.365 3.353 20 0 CGADHM COC[C@@H]1CCCN(C(=O)c2ccc(C(C)C)cc2[O-])C1 ZINC000265101208 190157972 /nfs/dbraw/zinc/15/79/72/190157972.db2.gz XFZWZDNWOUWMJO-CYBMUJFWSA-N -1 3 291.391 3.014 20 0 CGADHM CCC1(CC)CCN(C(=O)c2cccc(C)c2[O-])C1 ZINC000094803788 249041810 /nfs/dbraw/zinc/04/18/10/249041810.db2.gz PZWLNMZMEGRBDB-UHFFFAOYSA-N -1 3 261.365 3.353 20 0 CGADHM C[C@@H](NCc1cccc([O-])c1Br)C(F)(F)F ZINC000315139250 249097864 /nfs/dbraw/zinc/09/78/64/249097864.db2.gz QPEMTXOCYXCGTC-ZCFIWIBFSA-N -1 3 298.102 3.195 20 0 CGADHM C[C@H](NCc1cc([O-])ccc1Br)C(C)(F)F ZINC000315044486 249098554 /nfs/dbraw/zinc/09/85/54/249098554.db2.gz QQAVVDRWLPCGGT-ZETCQYMHSA-N -1 3 294.139 3.288 20 0 CGADHM CC(C)c1noc([N-][C@@H]2CCc3cc(F)ccc32)n1 ZINC000265618263 190194286 /nfs/dbraw/zinc/19/42/86/190194286.db2.gz MQIPJVXXDVVRJW-GFCCVEGCSA-N -1 3 261.300 3.432 20 0 CGADHM C[C@H]1CCC[C@H](C)C1NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000265666404 190198531 /nfs/dbraw/zinc/19/85/31/190198531.db2.gz QHCISIVETCCBMX-RYUDHWBXSA-N -1 3 298.386 3.495 20 0 CGADHM CCc1[n-][nH]c(=NC(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]23)c1C ZINC000573991361 377605296 /nfs/dbraw/zinc/60/52/96/377605296.db2.gz NGUIPSLBDOOTHG-MELADBBJSA-N -1 3 289.423 3.247 20 0 CGADHM O=C([O-])[C@@H]1CCCN([C@@H]2CCc3ccc(Cl)cc32)C1 ZINC000574458256 377666370 /nfs/dbraw/zinc/66/63/70/377666370.db2.gz BXZSOHBTRUXBFZ-BXUZGUMPSA-N -1 3 279.767 3.124 20 0 CGADHM Cc1cccc([O-])c1NC(=O)/C=C\c1ccc2c(c1)CCO2 ZINC000255892123 377784448 /nfs/dbraw/zinc/78/44/48/377784448.db2.gz CTZAJDJVKUGLCK-VURMDHGXSA-N -1 3 295.338 3.287 20 0 CGADHM CC(C)Cc1ncc(CN2C[C@H](C(=O)[O-])CC[C@H]2C)s1 ZINC000263311153 377926042 /nfs/dbraw/zinc/92/60/42/377926042.db2.gz HZCSKPUGAAKIKM-VXGBXAGGSA-N -1 3 296.436 3.027 20 0 CGADHM CN(CCOCc1ccccc1)Cc1cccc(C(=O)[O-])c1 ZINC000263364308 377929656 /nfs/dbraw/zinc/92/96/56/377929656.db2.gz VONUYKWCRIYXDO-UHFFFAOYSA-N -1 3 299.370 3.033 20 0 CGADHM CCc1cccc(Cl)c1CN1CCC[C@@H](C(=O)[O-])C1 ZINC000263437144 377936137 /nfs/dbraw/zinc/93/61/37/377936137.db2.gz VACVDPRAYWXVJA-GFCCVEGCSA-N -1 3 281.783 3.199 20 0 CGADHM CCn1c(=O)[n-]nc1SC[C@H]1CCCc2ccccc21 ZINC000343277145 377945472 /nfs/dbraw/zinc/94/54/72/377945472.db2.gz VSIZQCHQHVYUPS-GFCCVEGCSA-N -1 3 289.404 3.216 20 0 CGADHM CC[C@H](C)[C@H](C)N(C(=O)c1cccc(OC)c1[O-])C1CC1 ZINC000264358295 377979071 /nfs/dbraw/zinc/97/90/71/377979071.db2.gz HBLPQUQOJWSROC-RYUDHWBXSA-N -1 3 291.391 3.440 20 0 CGADHM C[C@H](C(=O)[O-])N(Cc1cc(F)ccc1Cl)C1CCC1 ZINC000575935805 378001326 /nfs/dbraw/zinc/00/13/26/378001326.db2.gz FBAHIAGCLPKLGU-SECBINFHSA-N -1 3 285.746 3.307 20 0 CGADHM O=C([O-])c1ccc(CN2C[C@@H]3CCC[C@H]3C2)cc1Cl ZINC000578019150 378030366 /nfs/dbraw/zinc/03/03/66/378030366.db2.gz MBKNSPAATAEVHH-RYUDHWBXSA-N -1 3 279.767 3.270 20 0 CGADHM CC1(C)CCCN1Cc1ccc(C(=O)[O-])c(Cl)c1 ZINC000578018945 378030629 /nfs/dbraw/zinc/03/06/29/378030629.db2.gz DKFCNFWCNDIWMJ-UHFFFAOYSA-N -1 3 267.756 3.413 20 0 CGADHM CCC[C@@H](C(=O)[O-])N(C)Cc1cc2ccccc2o1 ZINC000565104030 322060454 /nfs/dbraw/zinc/06/04/54/322060454.db2.gz IFQNUWOMTJLSGZ-ZDUSSCGKSA-N -1 3 261.321 3.118 20 0 CGADHM CCc1cc(=O)[n-]c(CSCc2ccnc(Cl)c2)n1 ZINC000268545286 378072456 /nfs/dbraw/zinc/07/24/56/378072456.db2.gz APHKFVFMOMZENF-UHFFFAOYSA-N -1 3 295.795 3.226 20 0 CGADHM Cc1cc(=O)[nH]c(C(=O)Nc2cc(Cl)cc(C)c2[O-])c1 ZINC000343931560 378137042 /nfs/dbraw/zinc/13/70/42/378137042.db2.gz PANRJCZGMWDTCS-UHFFFAOYSA-N -1 3 292.722 3.015 20 0 CGADHM CCCc1cccc(CN[C@H](CC(=O)[O-])c2ccncc2)c1 ZINC000579253402 378144630 /nfs/dbraw/zinc/14/46/30/378144630.db2.gz RXWCCRGOSXGSIP-QGZVFWFLSA-N -1 3 298.386 3.340 20 0 CGADHM C[C@@H](NCc1nc(-c2ccccc2)cs1)[C@H](C)C(=O)[O-] ZINC000578634955 378086631 /nfs/dbraw/zinc/08/66/31/378086631.db2.gz PFMXTMBQRJNVFL-WDEREUQCSA-N -1 3 290.388 3.009 20 0 CGADHM CC(C)c1ccc(C(=O)N[C@H](C)C2CCOCC2)c([O-])c1 ZINC000268773959 378107698 /nfs/dbraw/zinc/10/76/98/378107698.db2.gz YZHMONGLNNAMGF-GFCCVEGCSA-N -1 3 291.391 3.061 20 0 CGADHM CC[C@H]1CCCC[C@H]1OCC(=O)Nc1nc(C)ccc1[O-] ZINC000345399553 378276244 /nfs/dbraw/zinc/27/62/44/378276244.db2.gz ACSMJLHHPZONRL-GXTWGEPZSA-N -1 3 292.379 3.020 20 0 CGADHM Cc1ccccc1CN(Cc1ncccc1[O-])C1CC1 ZINC000580258872 378236160 /nfs/dbraw/zinc/23/61/60/378236160.db2.gz MPBKYWFTVNUIKU-UHFFFAOYSA-N -1 3 268.360 3.260 20 0 CGADHM CCN(Cc1ccccc1Cl)CC1(CC(=O)[O-])CC1 ZINC000583635946 378336479 /nfs/dbraw/zinc/33/64/79/378336479.db2.gz BBOUPAPPVNIOEW-UHFFFAOYSA-N -1 3 281.783 3.417 20 0 CGADHM CC[C@H]1CCN([C@@H](C(=O)[O-])c2c(F)cccc2Cl)C1 ZINC000583817811 378349970 /nfs/dbraw/zinc/34/99/70/378349970.db2.gz BZMMKBUNDFYIOP-TVQRCGJNSA-N -1 3 285.746 3.337 20 0 CGADHM Cc1ccc([O-])c(C(=O)N[C@H]2CCO[C@H](C(C)(C)C)C2)c1 ZINC000270889579 378411123 /nfs/dbraw/zinc/41/11/23/378411123.db2.gz MNZHPDRYVCPSBO-WFASDCNBSA-N -1 3 291.391 3.024 20 0 CGADHM O=C(CCCc1ccc([O-])c(F)c1)NCC1(C2CC2)CC1 ZINC000345856671 378388303 /nfs/dbraw/zinc/38/83/03/378388303.db2.gz ATSLWTLOVQVCNV-UHFFFAOYSA-N -1 3 291.366 3.160 20 0 CGADHM C[C@@H](CCC1CC1)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000345954851 378421336 /nfs/dbraw/zinc/42/13/36/378421336.db2.gz NEOYIVKYRFOWHP-QMMMGPOBSA-N -1 3 293.841 3.259 20 0 CGADHM O=C(c1cc(-c2ccco2)[n-]n1)N1CCCc2ccccc21 ZINC000346144763 378479119 /nfs/dbraw/zinc/47/91/19/378479119.db2.gz JXVPUZUERAWEGP-UHFFFAOYSA-N -1 3 293.326 3.263 20 0 CGADHM O=C(c1cc(-c2ccco2)n[n-]1)N1CCCc2ccccc21 ZINC000346144763 378479124 /nfs/dbraw/zinc/47/91/24/378479124.db2.gz JXVPUZUERAWEGP-UHFFFAOYSA-N -1 3 293.326 3.263 20 0 CGADHM [O-]C(=NOC1CCCC1)Nc1ccc(C(F)(F)F)nc1 ZINC000271810294 378506738 /nfs/dbraw/zinc/50/67/38/378506738.db2.gz LXBGTXCHYAVRKI-UHFFFAOYSA-N -1 3 289.257 3.096 20 0 CGADHM O=C([N-]OC1CCCC1)Nc1ccc(C(F)(F)F)nc1 ZINC000271810294 378506744 /nfs/dbraw/zinc/50/67/44/378506744.db2.gz LXBGTXCHYAVRKI-UHFFFAOYSA-N -1 3 289.257 3.096 20 0 CGADHM COc1c(F)ccc(F)c1C(=O)[N-]c1nc(C(C)C)co1 ZINC000637636318 378549232 /nfs/dbraw/zinc/54/92/32/378549232.db2.gz RTPRIBIJQANMNM-UHFFFAOYSA-N -1 3 296.273 3.337 20 0 CGADHM CCc1nc(C(=O)[N-]c2ccccc2SC)co1 ZINC000346532546 378607651 /nfs/dbraw/zinc/60/76/51/378607651.db2.gz OJJVUWBJPXVHGZ-UHFFFAOYSA-N -1 3 262.334 3.211 20 0 CGADHM Cc1cc(C(=O)N(C)[C@H]2CCc3ccccc3C2)ccc1[O-] ZINC000272544640 378663398 /nfs/dbraw/zinc/66/33/98/378663398.db2.gz YGQLSCAHJMKPCL-KRWDZBQOSA-N -1 3 295.382 3.330 20 0 CGADHM CCOCc1ccc(CNC(=O)c2ccc([O-])c(C)c2)cc1 ZINC000272602412 378674870 /nfs/dbraw/zinc/67/48/70/378674870.db2.gz PXAOODXOOZEBKJ-UHFFFAOYSA-N -1 3 299.370 3.167 20 0 CGADHM COc1cc(C(=O)N([C@H](C)C(C)C)C2CC2)ccc1[O-] ZINC000272612371 378676800 /nfs/dbraw/zinc/67/68/00/378676800.db2.gz OFIBDYJZOMZSOI-LLVKDONJSA-N -1 3 277.364 3.050 20 0 CGADHM Cc1cc([C@H](C)NCc2cnc(C)[n-]c2=O)c(C)s1 ZINC000346802937 218018949 /nfs/dbraw/zinc/01/89/49/218018949.db2.gz UXTINEVONVRDKR-VIFPVBQESA-N -1 3 277.393 3.020 20 0 CGADHM CCSc1cc(CNCc2cc([O-])cc(F)c2)ccn1 ZINC000275041739 378929056 /nfs/dbraw/zinc/92/90/56/378929056.db2.gz HFIOJTURUWRVLY-UHFFFAOYSA-N -1 3 292.379 3.328 20 0 CGADHM C[C@H](CCC1CC1)NC(=O)c1cc([O-])ccc1Cl ZINC000346978056 218075974 /nfs/dbraw/zinc/07/59/74/218075974.db2.gz HSGIGPRHXOWYPE-SECBINFHSA-N -1 3 267.756 3.354 20 0 CGADHM CC[C@@H](Cc1ccccc1)NC(=O)c1ccc([O-])c(OC)c1 ZINC000276869497 379010387 /nfs/dbraw/zinc/01/03/87/379010387.db2.gz DQKIUYBZQLNOFL-HNNXBMFYSA-N -1 3 299.370 3.152 20 0 CGADHM COc1cc(C(=O)N[C@@H]2CCCCC2(C)C)ccc1[O-] ZINC000276937432 379026879 /nfs/dbraw/zinc/02/68/79/379026879.db2.gz PBXFRJLQSSPUSU-CQSZACIVSA-N -1 3 277.364 3.099 20 0 CGADHM CCC[C@H]1CCCCN1C(=O)c1ccc([O-])c(OC)c1 ZINC000277214743 379100068 /nfs/dbraw/zinc/10/00/68/379100068.db2.gz ZNYMJVDDPHQSLZ-ZDUSSCGKSA-N -1 3 277.364 3.196 20 0 CGADHM CN(Cc1ccc2ccccc2c1)C(=O)c1csc(=O)[n-]1 ZINC000348958449 379122431 /nfs/dbraw/zinc/12/24/31/379122431.db2.gz AOFFIHUSKOJOCC-UHFFFAOYSA-N -1 3 298.367 3.274 20 0 CGADHM C[C@@H](NC(=O)c1csc(=O)[n-]1)c1cccc2ccccc21 ZINC000348968240 379123890 /nfs/dbraw/zinc/12/38/90/379123890.db2.gz GRQFJEUTVOUKMX-SNVBAGLBSA-N -1 3 298.367 3.493 20 0 CGADHM Cc1cc(C(=O)NC2CCC3(CC3)CC2)ccc1[O-] ZINC000277596770 379194781 /nfs/dbraw/zinc/19/47/81/379194781.db2.gz OCGQKYLCDYKZQE-UHFFFAOYSA-N -1 3 259.349 3.153 20 0 CGADHM Cc1ccc([C@@H]2CCN(C(=O)c3cccc([O-])c3)C2)cc1 ZINC000373272963 379252090 /nfs/dbraw/zinc/25/20/90/379252090.db2.gz ICZJILOKLIIPPW-MRXNPFEDSA-N -1 3 281.355 3.330 20 0 CGADHM Cc1cc(NCc2cc([O-])cc(F)c2)nn1-c1ccccc1 ZINC000349645127 379329428 /nfs/dbraw/zinc/32/94/28/379329428.db2.gz JQFWSTNNWQIIKR-UHFFFAOYSA-N -1 3 297.333 3.059 20 0 CGADHM Cc1scc(CNC(C)(C)c2nc(C)cc(=O)[n-]2)c1C ZINC000639343609 379298902 /nfs/dbraw/zinc/29/89/02/379298902.db2.gz LZLOTFXQSJXLJY-UHFFFAOYSA-N -1 3 291.420 3.194 20 0 CGADHM CCCCOCc1nc(-c2ccc([O-])c(OCC)c2)no1 ZINC000278177331 379309908 /nfs/dbraw/zinc/30/99/08/379309908.db2.gz WXQNDTWXZFHIRO-UHFFFAOYSA-N -1 3 292.335 3.158 20 0 CGADHM CCSCC[C@H](C)N(C)C(=O)c1cc(C)ccc1[O-] ZINC000266608472 190270345 /nfs/dbraw/zinc/27/03/45/190270345.db2.gz BKZCSWCVOSOELM-LBPRGKRZSA-N -1 3 281.421 3.304 20 0 CGADHM CCOc1cc(NC(=O)c2cc(C(F)F)[n-]n2)ccc1C ZINC000639665936 379537585 /nfs/dbraw/zinc/53/75/85/379537585.db2.gz MPWBZVFCYJVJMC-UHFFFAOYSA-N -1 3 295.289 3.307 20 0 CGADHM CC(C)c1occc1C(=O)[N-]c1nnc(C(F)F)s1 ZINC000280019065 379582323 /nfs/dbraw/zinc/58/23/23/379582323.db2.gz JTUPABZBTUUWEU-UHFFFAOYSA-N -1 3 287.291 3.444 20 0 CGADHM C[C@@H]1C[C@@H](c2nc(-c3ccc([O-])cc3)no2)C[C@H](C)O1 ZINC000350576770 379564348 /nfs/dbraw/zinc/56/43/48/379564348.db2.gz INNCIEDVKCBFLY-PEGIJTEDSA-N -1 3 274.320 3.113 20 0 CGADHM Cc1ccc(-c2cc(-c3nc(-c4cncs4)no3)n[n-]2)o1 ZINC000350908440 379608522 /nfs/dbraw/zinc/60/85/22/379608522.db2.gz NNXLZIFBAGKKQB-UHFFFAOYSA-N -1 3 299.315 3.152 20 0 CGADHM Cc1ccc(-c2cc(-c3nc(-c4cncs4)no3)[n-]n2)o1 ZINC000350908440 379608526 /nfs/dbraw/zinc/60/85/26/379608526.db2.gz NNXLZIFBAGKKQB-UHFFFAOYSA-N -1 3 299.315 3.152 20 0 CGADHM COc1ccc([O-])c(-c2nc(-c3ccc(Cl)o3)no2)c1 ZINC000350911235 379610996 /nfs/dbraw/zinc/61/09/96/379610996.db2.gz XENPFBHUFGNYHS-UHFFFAOYSA-N -1 3 292.678 3.364 20 0 CGADHM CC(C)(C)CCS(=O)(=O)[N-]c1ccc(F)c(F)c1F ZINC000267182438 190309470 /nfs/dbraw/zinc/30/94/70/190309470.db2.gz XQZLGWRANTTWEZ-UHFFFAOYSA-N -1 3 295.326 3.282 20 0 CGADHM CC[C@@H](C)n1ncc(NC(=O)c2cc(C(F)F)[n-]n2)c1C ZINC000640178055 379739353 /nfs/dbraw/zinc/73/93/53/379739353.db2.gz JXYQXIDJLYSVHN-SSDOTTSWSA-N -1 3 297.309 3.076 20 0 CGADHM O=C([N-]c1ccc(-c2ccco2)cc1F)c1cnns1 ZINC000347726663 218335852 /nfs/dbraw/zinc/33/58/52/218335852.db2.gz BHWAKWRUDHTSNG-UHFFFAOYSA-N -1 3 289.291 3.190 20 0 CGADHM Cc1noc(C)c1C(C)(C)c1nc(-c2ccc([O-])cc2)no1 ZINC000280438075 379706541 /nfs/dbraw/zinc/70/65/41/379706541.db2.gz TVMYQIGRPVZGPI-UHFFFAOYSA-N -1 3 299.330 3.373 20 0 CGADHM O=C(c1cc([O-])ccc1Cl)N1CCC[C@H]1C1CC1 ZINC000377894316 379756683 /nfs/dbraw/zinc/75/66/83/379756683.db2.gz ABWRVCUZRWJICL-ZDUSSCGKSA-N -1 3 265.740 3.060 20 0 CGADHM CCCC[C@@H](CC)CC(=O)NCc1ncccc1[O-] ZINC000352517321 379842013 /nfs/dbraw/zinc/84/20/13/379842013.db2.gz PDEVKMNSLRPZJC-GFCCVEGCSA-N -1 3 264.369 3.010 20 0 CGADHM Cc1ccc(C(=O)N2CC=C(c3ccccc3F)C2)c([O-])c1 ZINC000378603096 379846147 /nfs/dbraw/zinc/84/61/47/379846147.db2.gz ZAZBGWPLAZSWMG-UHFFFAOYSA-N -1 3 297.329 3.379 20 0 CGADHM [O-]c1ccc(F)c(CNC[C@H]2CCc3ccccc32)c1F ZINC000352565364 379861780 /nfs/dbraw/zinc/86/17/80/379861780.db2.gz XVOUGNOTSWNDQL-GFCCVEGCSA-N -1 3 289.325 3.490 20 0 CGADHM [O-]c1ccc(F)c(CNCc2cc(F)ccc2F)c1F ZINC000352427397 379811328 /nfs/dbraw/zinc/81/13/28/379811328.db2.gz GLVWMPICODKOBD-UHFFFAOYSA-N -1 3 285.240 3.238 20 0 CGADHM [O-]c1cccnc1CNCc1ccc(-c2ccc(F)cc2)o1 ZINC000347797198 218361198 /nfs/dbraw/zinc/36/11/98/218361198.db2.gz AUFQWEWPNLCENE-UHFFFAOYSA-N -1 3 298.317 3.476 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)C2CCCC2)c1-c1cccc(F)c1 ZINC000640944257 379882663 /nfs/dbraw/zinc/88/26/63/379882663.db2.gz BKOPYZQRSZUXBC-UHFFFAOYSA-N -1 3 287.338 3.075 20 0 CGADHM Cc1cccc([O-])c1NC(=O)[C@@H](C)Oc1ccccc1F ZINC000352637201 379887354 /nfs/dbraw/zinc/88/73/54/379887354.db2.gz MOYNOQBSFDSDPL-LLVKDONJSA-N -1 3 289.306 3.246 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)[C@@H]2C[C@H]2C)c1-c1ccc(Cl)cc1 ZINC000641247627 379979651 /nfs/dbraw/zinc/97/96/51/379979651.db2.gz DEIRVEOKQHOQHK-PRHODGIISA-N -1 3 289.766 3.055 20 0 CGADHM C[C@@H](c1ccc(F)cc1)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000405291941 379984775 /nfs/dbraw/zinc/98/47/75/379984775.db2.gz KQRAIKIBYBKENO-SMDDNHRTSA-N -1 3 277.339 3.073 20 0 CGADHM O=S(=O)(CCC1CCCC1)[N-]c1ccccc1F ZINC000641678355 380043725 /nfs/dbraw/zinc/04/37/25/380043725.db2.gz NAXRSCKLWYFYSC-UHFFFAOYSA-N -1 3 271.357 3.148 20 0 CGADHM CC1(C)CN(Cc2c(F)ccc([O-])c2F)CC(C)(C)O1 ZINC000353122716 380124809 /nfs/dbraw/zinc/12/48/09/380124809.db2.gz WHAJQCZVWFEBEY-UHFFFAOYSA-N -1 3 285.334 3.060 20 0 CGADHM COc1cc(C(=O)N2CCC[C@H](C(C)C)CC2)ccc1[O-] ZINC000353131042 380130925 /nfs/dbraw/zinc/13/09/25/380130925.db2.gz MLBMFUYXURBODY-ZDUSSCGKSA-N -1 3 291.391 3.299 20 0 CGADHM COc1cc(C(=O)NC2CCCCCCC2)ccc1[O-] ZINC000268062561 190373625 /nfs/dbraw/zinc/37/36/25/190373625.db2.gz FIRNQAGIVBFARR-UHFFFAOYSA-N -1 3 277.364 3.244 20 0 CGADHM CC(C)c1ccoc1C(=O)[N-]c1n[nH]c(C2CCC2)n1 ZINC000286132227 380164456 /nfs/dbraw/zinc/16/44/56/380164456.db2.gz QOULTXNHJHRNAV-UHFFFAOYSA-N -1 3 274.324 3.041 20 0 CGADHM [O-]c1cc(F)cc(CNCC(F)(F)c2ccccc2)c1 ZINC000353208240 380169299 /nfs/dbraw/zinc/16/92/99/380169299.db2.gz JBFWLOJAYWRIGO-UHFFFAOYSA-N -1 3 281.277 3.413 20 0 CGADHM Cc1ccc(F)c(S(=O)(=O)[N-][C@@H]2CCC[C@@H](C)[C@@H]2C)c1 ZINC000642375576 380170271 /nfs/dbraw/zinc/17/02/71/380170271.db2.gz YWRHKIBANIVBKT-MBNYWOFBSA-N -1 3 299.411 3.237 20 0 CGADHM Cc1cc(OCc2ccccc2F)cc2occ([O-])c21 ZINC000642609872 380181225 /nfs/dbraw/zinc/18/12/25/380181225.db2.gz APCGQKIUAYBSHQ-UHFFFAOYSA-N -1 3 272.275 3.288 20 0 CGADHM CC[C@@H](OC1CCCCC1)C(=O)[N-]c1onc(C)c1C ZINC000268428566 190402032 /nfs/dbraw/zinc/40/20/32/190402032.db2.gz AEONYFJHMPBNJF-CYBMUJFWSA-N -1 3 280.368 3.358 20 0 CGADHM CC(C)(C)C1CCC(Cn2cc(Cl)c(=O)[n-]c2=O)CC1 ZINC000354528854 380473590 /nfs/dbraw/zinc/47/35/90/380473590.db2.gz SQEVWASAPVAPIT-UHFFFAOYSA-N -1 3 298.814 3.455 20 0 CGADHM [O-]c1ccc(F)c(CNc2cc3c(cn2)CCC3)c1F ZINC000354533929 380475512 /nfs/dbraw/zinc/47/55/12/380475512.db2.gz FXCRNFAYSDIRGZ-UHFFFAOYSA-N -1 3 276.286 3.166 20 0 CGADHM O=c1cc(CNc2cc(Cl)ccc2F)nc(C2CC2)[n-]1 ZINC000416991849 380559055 /nfs/dbraw/zinc/55/90/55/380559055.db2.gz DCUUKFQJVAHLEB-UHFFFAOYSA-N -1 3 293.729 3.464 20 0 CGADHM COc1c(C)ccc(NCc2cc(=O)[n-]c(C3CC3)n2)c1C ZINC000417011553 380560754 /nfs/dbraw/zinc/56/07/54/380560754.db2.gz SKNQNWOTBRXGNY-UHFFFAOYSA-N -1 3 299.374 3.297 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2ccc(F)c(Cl)c2F)n1 ZINC000355314645 380637562 /nfs/dbraw/zinc/63/75/62/380637562.db2.gz LDRDGBOBCPQYII-UHFFFAOYSA-N -1 3 298.676 3.280 20 0 CGADHM CC1([C@@H](NCc2ccc(Cl)o2)C(=O)[O-])CCCCC1 ZINC000417563352 380639823 /nfs/dbraw/zinc/63/98/23/380639823.db2.gz NLRVNAJSYNRHLZ-LBPRGKRZSA-N -1 3 285.771 3.446 20 0 CGADHM Cc1ccc(CNCCC2(CC(=O)[O-])CCCCC2)nc1 ZINC000417649980 380662133 /nfs/dbraw/zinc/66/21/33/380662133.db2.gz MJEACCUQXKMWTG-UHFFFAOYSA-N -1 3 290.407 3.295 20 0 CGADHM O=C([O-])[C@@H](CC1CCC1)NCc1cc(Cl)ccc1F ZINC000417707020 380668786 /nfs/dbraw/zinc/66/87/86/380668786.db2.gz PZBKCNWHJQXCPA-CYBMUJFWSA-N -1 3 285.746 3.212 20 0 CGADHM Cc1nc(CC2CC2)oc1C(=O)[N-]c1c(F)cccc1F ZINC000355464905 380675661 /nfs/dbraw/zinc/67/56/61/380675661.db2.gz BVOQDUUHKCJHKD-UHFFFAOYSA-N -1 3 292.285 3.466 20 0 CGADHM O=C(N=c1cc(-c2ccccc2)[n-][nH]1)[C@@H]1CC12CCCC2 ZINC000355548240 380707723 /nfs/dbraw/zinc/70/77/23/380707723.db2.gz NLXCFJVCWMNMRO-ZDUSSCGKSA-N -1 3 281.359 3.017 20 0 CGADHM C[C@@H](C(=O)[O-])[C@H](C)NCc1ccc(-c2ccccc2F)o1 ZINC000417614927 380652289 /nfs/dbraw/zinc/65/22/89/380652289.db2.gz SPQZRAGYSNMXQD-MNOVXSKESA-N -1 3 291.322 3.285 20 0 CGADHM Cc1ccc(C)c(CNC[C@H](CC(=O)[O-])C(F)(F)F)c1 ZINC000417621228 380655024 /nfs/dbraw/zinc/65/50/24/380655024.db2.gz HAZMCIIRUBLLIR-LBPRGKRZSA-N -1 3 289.297 3.046 20 0 CGADHM CC[C@@H]1CCCC[C@H]1C(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000355605049 380726261 /nfs/dbraw/zinc/72/62/61/380726261.db2.gz JCCXBAGKDVHTQT-GHMZBOCLSA-N -1 3 288.351 3.220 20 0 CGADHM CC[C@@H]1CCCC[C@H]1C(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000355605049 380726266 /nfs/dbraw/zinc/72/62/66/380726266.db2.gz JCCXBAGKDVHTQT-GHMZBOCLSA-N -1 3 288.351 3.220 20 0 CGADHM CC[C@@H]1CCCC[C@H]1C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000355605049 380726270 /nfs/dbraw/zinc/72/62/70/380726270.db2.gz JCCXBAGKDVHTQT-GHMZBOCLSA-N -1 3 288.351 3.220 20 0 CGADHM Cc1ccsc1CNC(=O)Cc1ccc([O-])cc1Cl ZINC000357332440 381110417 /nfs/dbraw/zinc/11/04/17/381110417.db2.gz BFIYUIRFJJFJBT-UHFFFAOYSA-N -1 3 295.791 3.274 20 0 CGADHM CCN(C(=O)c1cccc([O-])c1)[C@H]1CCCC[C@H]1C ZINC000357431234 381155123 /nfs/dbraw/zinc/15/51/23/381155123.db2.gz LYHVAZDVCHQXOF-DOMZBBRYSA-N -1 3 261.365 3.433 20 0 CGADHM CCN(C(=O)c1cccc([O-])c1)[C@@H]1CCCC[C@H]1C ZINC000357431236 381155759 /nfs/dbraw/zinc/15/57/59/381155759.db2.gz LYHVAZDVCHQXOF-IUODEOHRSA-N -1 3 261.365 3.433 20 0 CGADHM COc1cc(C(=O)NC(C)(C)c2cccc(C)c2)ccc1[O-] ZINC000357605685 381227214 /nfs/dbraw/zinc/22/72/14/381227214.db2.gz QUUZNFWIGJPNNH-UHFFFAOYSA-N -1 3 299.370 3.374 20 0 CGADHM CC[C@H](C(=O)Nc1nc(C)ccc1[O-])c1ccc(F)cc1 ZINC000359953077 381385621 /nfs/dbraw/zinc/38/56/21/381385621.db2.gz SWWCGIHMMNFRCA-ZDUSSCGKSA-N -1 3 288.322 3.367 20 0 CGADHM C/C=C/c1ccc(NC(=O)Cc2c(C)nc(C)[n-]c2=O)cc1 ZINC000360318930 381514965 /nfs/dbraw/zinc/51/49/65/381514965.db2.gz OKYIPHCIECZDPN-SNAWJCMRSA-N -1 3 297.358 3.013 20 0 CGADHM CCn1nccc1NC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000362710570 382103001 /nfs/dbraw/zinc/10/30/01/382103001.db2.gz GFZLWOGGTMTVBM-UHFFFAOYSA-N -1 3 294.767 3.352 20 0 CGADHM CCc1cc(C(=O)Nc2ccc(SC)cn2)ccc1[O-] ZINC000362829555 382126923 /nfs/dbraw/zinc/12/69/23/382126923.db2.gz HIXROFXALCLJJM-UHFFFAOYSA-N -1 3 288.372 3.324 20 0 CGADHM CN(Cc1ccsc1)C(=O)c1cc([O-])ccc1Cl ZINC000234286040 542309199 /nfs/dbraw/zinc/30/91/99/542309199.db2.gz XUSJITFBXOMIIE-UHFFFAOYSA-N -1 3 281.764 3.379 20 0 CGADHM C[C@@H]1CCCN([C@@H](C(=O)[O-])c2c(F)cccc2Cl)C1 ZINC000252114135 542349069 /nfs/dbraw/zinc/34/90/69/542349069.db2.gz IFPFKLVLOLLATI-NOZJJQNGSA-N -1 3 285.746 3.337 20 0 CGADHM COc1ccccc1[C@H](C)NC(=O)c1ccc(C)cc1[O-] ZINC000436529157 533005818 /nfs/dbraw/zinc/00/58/18/533005818.db2.gz ZTZPAQDGIKIRMM-LBPRGKRZSA-N -1 3 285.343 3.200 20 0 CGADHM CCc1cc2c([n-]c(CC(F)(F)F)nc2=O)s1 ZINC000335234398 207991801 /nfs/dbraw/zinc/99/18/01/207991801.db2.gz MSCPEPQTNLSHOM-UHFFFAOYSA-N -1 3 262.256 3.064 20 0 CGADHM C[C@@H]1CN(C(=O)CCc2ccc3ccccc3c2[O-])[C@H]1C ZINC000335400193 208374660 /nfs/dbraw/zinc/37/46/60/208374660.db2.gz QOQVZBWBEBDLRK-OLZOCXBDSA-N -1 3 283.371 3.345 20 0 CGADHM CC[C@@H]1CN(C(=O)c2cc([O-])c3ccccc3c2)C[C@@H](C)O1 ZINC000281018174 542382740 /nfs/dbraw/zinc/38/27/40/542382740.db2.gz VPJRVNCRXKAGPH-IUODEOHRSA-N -1 3 299.370 3.185 20 0 CGADHM O=C(NCC1CCC1)c1cc([O-])c2ccccc2c1 ZINC000280786423 542382666 /nfs/dbraw/zinc/38/26/66/542382666.db2.gz KPWWSJFCFQTJBI-UHFFFAOYSA-N -1 3 255.317 3.075 20 0 CGADHM CC(C(=O)Nc1cc(F)cc(Cl)c1[O-])C(F)(F)F ZINC000353888473 220390602 /nfs/dbraw/zinc/39/06/02/220390602.db2.gz LAOFQYIUJYMDGY-SCSAIBSYSA-N -1 3 285.624 3.322 20 0 CGADHM O=C([O-])c1cccc(CN[C@@H]2CCCc3occc32)c1 ZINC000263487699 304260451 /nfs/dbraw/zinc/26/04/51/304260451.db2.gz PXOCHWAVDICFKV-CQSZACIVSA-N -1 3 271.316 3.145 20 0 CGADHM C[C@@H]1SCC[C@H]1NCc1cccc([O-])c1Cl ZINC000328196893 542443242 /nfs/dbraw/zinc/44/32/42/542443242.db2.gz FDJPEHXIPQPQSY-WCBMZHEXSA-N -1 3 257.786 3.029 20 0 CGADHM CC(C)(C)n1cc(NC(=O)c2cc([O-])ccc2Cl)cn1 ZINC000334429258 542456666 /nfs/dbraw/zinc/45/66/66/542456666.db2.gz YUWPCPHSAYGEGB-UHFFFAOYSA-N -1 3 293.754 3.249 20 0 CGADHM CO[C@H]1CCN(C(=O)c2cc([O-])c3ccccc3c2)C[C@@H]1C ZINC000334905957 542462914 /nfs/dbraw/zinc/46/29/14/542462914.db2.gz JKEVPHIKOOBXPK-SJCJKPOMSA-N -1 3 299.370 3.042 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)C[C@@H]2CCC(=O)[C@H]2C)c1[O-] ZINC000281283165 195179977 /nfs/dbraw/zinc/17/99/77/195179977.db2.gz SCKXXMHOVHRGDU-UWVGGRQHSA-N -1 3 295.766 3.298 20 0 CGADHM O=C(NOC1CCCC1)c1cc([O-])ccc1C(F)(F)F ZINC000281346811 195206541 /nfs/dbraw/zinc/20/65/41/195206541.db2.gz WMZRQEQBTABCIP-UHFFFAOYSA-N -1 3 289.253 3.015 20 0 CGADHM O=C([N-]c1nc(C2CC2)cs1)c1cc(C2CC2)no1 ZINC000281448038 195243138 /nfs/dbraw/zinc/24/31/38/195243138.db2.gz LIOYUONOMPAPQJ-UHFFFAOYSA-N -1 3 275.333 3.138 20 0 CGADHM COc1ccc(NC(=O)c2c(F)ccc(C)c2F)c([O-])c1 ZINC000335716200 542471170 /nfs/dbraw/zinc/47/11/70/542471170.db2.gz IFFCTOHPWBHISO-UHFFFAOYSA-N -1 3 293.269 3.240 20 0 CGADHM C[C@@H](C1CC1)N(C)C(=O)c1cc([O-])c2ccccc2c1 ZINC000336006559 542473859 /nfs/dbraw/zinc/47/38/59/542473859.db2.gz YPHGGVVZXKTIMD-NSHDSACASA-N -1 3 269.344 3.416 20 0 CGADHM Cc1cccc(-c2nc([C@H]3CCOC(C)(C)C3)no2)c1[O-] ZINC000351184754 542541985 /nfs/dbraw/zinc/54/19/85/542541985.db2.gz KUVJIBIBYCQMAB-NSHDSACASA-N -1 3 288.347 3.423 20 0 CGADHM O=C(NCc1ccc(O)cc1)c1cc([O-])c2ccccc2c1 ZINC000352285364 542552507 /nfs/dbraw/zinc/55/25/07/542552507.db2.gz SBPLLAJJMRSHRE-UHFFFAOYSA-N -1 3 293.322 3.181 20 0 CGADHM CSc1nnc(NC(=O)c2cccc(C3CCC3)c2)[n-]1 ZINC000281721275 195350691 /nfs/dbraw/zinc/35/06/91/195350691.db2.gz UOSOGSIBOIGXQW-UHFFFAOYSA-N -1 3 288.376 3.046 20 0 CGADHM CSc1n[n-]c(NC(=O)c2cccc(C3CCC3)c2)n1 ZINC000281721275 195350693 /nfs/dbraw/zinc/35/06/93/195350693.db2.gz UOSOGSIBOIGXQW-UHFFFAOYSA-N -1 3 288.376 3.046 20 0 CGADHM CSc1nc(NC(=O)c2cccc(C3CCC3)c2)n[n-]1 ZINC000281721275 195350695 /nfs/dbraw/zinc/35/06/95/195350695.db2.gz UOSOGSIBOIGXQW-UHFFFAOYSA-N -1 3 288.376 3.046 20 0 CGADHM C[C@@H](CCC(=O)[O-])CNCc1cccc(Cl)c1F ZINC000426660860 533515360 /nfs/dbraw/zinc/51/53/60/533515360.db2.gz AYBKGYAIASFMMX-VIFPVBQESA-N -1 3 273.735 3.070 20 0 CGADHM C[C@@H]1CCCC[C@H]1C(=O)Nc1cc(F)ccc1[O-] ZINC000424748887 533585603 /nfs/dbraw/zinc/58/56/03/533585603.db2.gz IWHVOANSGHDHMI-MWLCHTKSSA-N -1 3 251.301 3.296 20 0 CGADHM Cc1ccc(C(=O)N[C@H]2CC23CCCC3)c([O-])c1C ZINC000436874308 533595289 /nfs/dbraw/zinc/59/52/89/533595289.db2.gz SQUGCLRNZBCUTC-ZDUSSCGKSA-N -1 3 259.349 3.072 20 0 CGADHM COc1cc(C)cc(-c2nc(-c3ccoc3C)no2)c1[O-] ZINC000436956876 533615824 /nfs/dbraw/zinc/61/58/24/533615824.db2.gz PYYREYGZQUUUGI-UHFFFAOYSA-N -1 3 286.287 3.328 20 0 CGADHM CC(C)CO[C@@H](C)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000049138165 392035249 /nfs/dbraw/zinc/03/52/49/392035249.db2.gz MTCRLGGCSULOON-VIFPVBQESA-N -1 3 271.744 3.045 20 0 CGADHM C[C@@H]1CCCN(C(=O)c2cc3c(cc2[O-])CCCC3)C1 ZINC000049179956 392037708 /nfs/dbraw/zinc/03/77/08/392037708.db2.gz PVLLIONQTCSPBI-GFCCVEGCSA-N -1 3 273.376 3.143 20 0 CGADHM CC[C@@H]1CCC[C@H](NC(=O)c2cc(OC)ccc2[O-])C1 ZINC000068604180 392166561 /nfs/dbraw/zinc/16/65/61/392166561.db2.gz IGFHMFWUQVAMDY-NEPJUHHUSA-N -1 3 277.364 3.099 20 0 CGADHM COc1ccc([O-])c(C(=O)N(C)[C@@H]2CCCC[C@H]2C)c1 ZINC000055482014 392099171 /nfs/dbraw/zinc/09/91/71/392099171.db2.gz BGYLCVHPHSXEKG-BXUZGUMPSA-N -1 3 277.364 3.052 20 0 CGADHM CC[C@@H]1CCC[C@H](NC(=O)c2cccc(OC)c2[O-])C1 ZINC000068604195 392166975 /nfs/dbraw/zinc/16/69/75/392166975.db2.gz LMILILXEJXCREE-NEPJUHHUSA-N -1 3 277.364 3.099 20 0 CGADHM CC[C@H]1CCC[C@H](NC(=O)c2cccc(OC)c2[O-])C1 ZINC000068604197 392167034 /nfs/dbraw/zinc/16/70/34/392167034.db2.gz LMILILXEJXCREE-RYUDHWBXSA-N -1 3 277.364 3.099 20 0 CGADHM COc1ccc([O-])c(C(=O)N2CCC[C@@H](C(C)C)CC2)c1 ZINC000071029028 392187079 /nfs/dbraw/zinc/18/70/79/392187079.db2.gz BIUHKNBXHKBRBP-CYBMUJFWSA-N -1 3 291.391 3.299 20 0 CGADHM Cc1cccc(C(=O)N2CCC(C(F)(F)F)CC2)c1[O-] ZINC000088431970 392226948 /nfs/dbraw/zinc/22/69/48/392226948.db2.gz QPJRTQBLPRYDME-UHFFFAOYSA-N -1 3 287.281 3.115 20 0 CGADHM CC[C@H](C)[C@@H](C)C(=O)Nc1ccc(OC)cc1[O-] ZINC000443565920 542667409 /nfs/dbraw/zinc/66/74/09/542667409.db2.gz JOZCGKOLXQRVGS-VHSXEESVSA-N -1 3 251.326 3.022 20 0 CGADHM CCC(CC)CC(=O)Nc1ccc(OC)cc1[O-] ZINC000443554848 542667352 /nfs/dbraw/zinc/66/73/52/542667352.db2.gz AIYMQICJBJMGRL-UHFFFAOYSA-N -1 3 251.326 3.166 20 0 CGADHM COc1ccc(NC(=O)c2cc(C)c(C)s2)c([O-])c1 ZINC000443571289 542667934 /nfs/dbraw/zinc/66/79/34/542667934.db2.gz YUJMBUKDPFRPKM-UHFFFAOYSA-N -1 3 277.345 3.331 20 0 CGADHM O=C([O-])[C@@]12CCC[C@H]1CN(Cc1ccc(Cl)s1)C2 ZINC000262206227 131200993 /nfs/dbraw/zinc/20/09/93/131200993.db2.gz STPIIAODXVKRGZ-TVQRCGJNSA-N -1 3 285.796 3.088 20 0 CGADHM COc1ccc(NC(=O)C2=CCC(C)(C)CC2)c([O-])c1 ZINC000456022616 542687627 /nfs/dbraw/zinc/68/76/27/542687627.db2.gz JFIVBDJCEYIONQ-UHFFFAOYSA-N -1 3 275.348 3.476 20 0 CGADHM CC(C)[C@@H]1C[C@H]1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000458117504 542691394 /nfs/dbraw/zinc/69/13/94/542691394.db2.gz SBGPPVPMNBYDFU-LSDHHAIUSA-N -1 3 269.344 3.320 20 0 CGADHM CCO[C@H](CCNC(=O)c1cc([O-])ccc1Cl)C(C)C ZINC000290482121 392448097 /nfs/dbraw/zinc/44/80/97/392448097.db2.gz ZWWOIURXKUVVOW-CQSZACIVSA-N -1 3 299.798 3.227 20 0 CGADHM O=C(Nc1ccccn1)c1cc([O-])c2ccccc2c1 ZINC000471627832 542701243 /nfs/dbraw/zinc/70/12/43/542701243.db2.gz NTSNSCJEPCDHTO-UHFFFAOYSA-N -1 3 264.284 3.193 20 0 CGADHM CCC(CC)[C@@H](C)C(=O)NCc1ccc([O-])c(F)c1 ZINC000534184433 288404236 /nfs/dbraw/zinc/40/42/36/288404236.db2.gz GXBYNWPSVIOCHZ-SNVBAGLBSA-N -1 3 267.344 3.220 20 0 CGADHM C[C@@H]1CCN(C(=O)C2(CCF)CC2)c2c([O-])cccc21 ZINC000291661994 392477599 /nfs/dbraw/zinc/47/75/99/392477599.db2.gz KUTNKZWLDSRWDU-LLVKDONJSA-N -1 3 277.339 3.372 20 0 CGADHM O=C([N-]c1cc(F)c(F)cc1F)c1snnc1C1CC1 ZINC000291798606 392483621 /nfs/dbraw/zinc/48/36/21/392483621.db2.gz QDJYXBRJQHSCFK-UHFFFAOYSA-N -1 3 299.277 3.085 20 0 CGADHM CCCC[C@@H](C)N(C)C(=O)c1ccc(OC)cc1[O-] ZINC000291829093 392490146 /nfs/dbraw/zinc/49/01/46/392490146.db2.gz ZLJGXYGKGBYWDB-LLVKDONJSA-N -1 3 265.353 3.052 20 0 CGADHM CC[C@H](C)Oc1ccc(NC([O-])=NOC(C)C)cc1 ZINC000296625110 392560955 /nfs/dbraw/zinc/56/09/55/392560955.db2.gz WUAOHTVTBGWKPT-NSHDSACASA-N -1 3 266.341 3.325 20 0 CGADHM CC[C@H](C)Oc1ccc(NC(=O)[N-]OC(C)C)cc1 ZINC000296625110 392560957 /nfs/dbraw/zinc/56/09/57/392560957.db2.gz WUAOHTVTBGWKPT-NSHDSACASA-N -1 3 266.341 3.325 20 0 CGADHM CC[C@H](NCc1ccc(Oc2ccccc2)o1)C(=O)[O-] ZINC000647466920 392729095 /nfs/dbraw/zinc/72/90/95/392729095.db2.gz LNYUHLKEXHXEDQ-ZDUSSCGKSA-N -1 3 275.304 3.025 20 0 CGADHM [O-]c1ccc(F)c(CNCC2CCCCC2)c1F ZINC000509627516 392762665 /nfs/dbraw/zinc/76/26/65/392762665.db2.gz ZULUTDCKGCXTQU-UHFFFAOYSA-N -1 3 255.308 3.340 20 0 CGADHM Cc1cccc(NC(=O)/C=C/c2cncc([O-])c2)c1C ZINC000179381121 392700721 /nfs/dbraw/zinc/70/07/21/392700721.db2.gz PIQZKJMJHZZVER-VOTSOKGWSA-N -1 3 268.316 3.056 20 0 CGADHM COc1ccc(CN2CCC(C)(C(=O)[O-])CC2)c(Cl)c1 ZINC000647375001 392710696 /nfs/dbraw/zinc/71/06/96/392710696.db2.gz PYWXRAKUICMRPH-UHFFFAOYSA-N -1 3 297.782 3.035 20 0 CGADHM CCC(C)(C)[C@@H](NCc1cccc(Cl)c1F)C(=O)[O-] ZINC000647649005 392777993 /nfs/dbraw/zinc/77/79/93/392777993.db2.gz DLENBMPRWQRBPR-LBPRGKRZSA-N -1 3 287.762 3.458 20 0 CGADHM O=C(Cc1cccs1)Nc1c([O-])cccc1Cl ZINC000647835533 392809980 /nfs/dbraw/zinc/80/99/80/392809980.db2.gz ZMXABWFPIVJHRB-UHFFFAOYSA-N -1 3 267.737 3.288 20 0 CGADHM CC(C)c1csc2[n-]c([C@H]3CCCO3)nc(=O)c12 ZINC000335753984 392814204 /nfs/dbraw/zinc/81/42/04/392814204.db2.gz DWZAXAQPBMCZKD-SECBINFHSA-N -1 3 264.350 3.372 20 0 CGADHM C[C@H](CN1CC[C@@H](C)[C@@H](C(=O)[O-])C1)c1cc(F)cc(F)c1 ZINC000519706915 392885384 /nfs/dbraw/zinc/88/53/84/392885384.db2.gz AUIGSYKMOYUBHQ-HFAKWTLXSA-N -1 3 297.345 3.111 20 0 CGADHM CCCCOCCN(CC(=O)[O-])Cc1ccc(Cl)cc1 ZINC000519758781 392891594 /nfs/dbraw/zinc/89/15/94/392891594.db2.gz JEDQFYQSLGPZNU-UHFFFAOYSA-N -1 3 299.798 3.043 20 0 CGADHM Cc1o[n-]c(=NC(=O)C2=C(C)CC(C)(C)CC2)c1C ZINC000520729803 392925529 /nfs/dbraw/zinc/92/55/29/392925529.db2.gz FKNGJJKBIVIYSI-UHFFFAOYSA-N -1 3 262.353 3.178 20 0 CGADHM CCCC[C@H](CC)CC(=O)Nc1ncccc1[O-] ZINC000522672332 392932257 /nfs/dbraw/zinc/93/22/57/392932257.db2.gz HLVUYLYEIUQJAD-NSHDSACASA-N -1 3 250.342 3.332 20 0 CGADHM Cc1cccc(C(=O)N[C@H](C)c2nc3ccccc3[nH]2)c1[O-] ZINC000194599628 392932289 /nfs/dbraw/zinc/93/22/89/392932289.db2.gz UBAWOUAIXCHCEF-LLVKDONJSA-N -1 3 295.342 3.068 20 0 CGADHM CCn1ncc2ccc(NC(=O)c3ccc(C)cc3[O-])cc21 ZINC000195743306 392974320 /nfs/dbraw/zinc/97/43/20/392974320.db2.gz NYEVRJHVBZDPDR-UHFFFAOYSA-N -1 3 295.342 3.323 20 0 CGADHM Cc1cccc(C(=O)Nc2cc(-c3cccs3)[nH]n2)c1[O-] ZINC000195578220 392971121 /nfs/dbraw/zinc/97/11/21/392971121.db2.gz ZTABDXYXIIBHPM-UHFFFAOYSA-N -1 3 299.355 3.405 20 0 CGADHM O=C(CCCc1ccc([O-])c(F)c1)N1C[C@H]2CCC[C@@H]2C1 ZINC000468965186 393170928 /nfs/dbraw/zinc/17/09/28/393170928.db2.gz LTYASIGLFHKTNI-ZIAGYGMSSA-N -1 3 291.366 3.113 20 0 CGADHM COc1ccc([O-])c(C(=O)Nc2ccc3ccoc3c2)c1 ZINC000467910354 393112840 /nfs/dbraw/zinc/11/28/40/393112840.db2.gz QQICQXYQIHQEDN-UHFFFAOYSA-N -1 3 283.283 3.399 20 0 CGADHM Cc1ccc(-c2nnc(NC(=O)CC3(C)CCCC3)[n-]2)o1 ZINC000349112060 393137626 /nfs/dbraw/zinc/13/76/26/393137626.db2.gz VGGKKSDXVCMJEN-UHFFFAOYSA-N -1 3 288.351 3.282 20 0 CGADHM Cc1ccc(-c2n[n-]c(NC(=O)CC3(C)CCCC3)n2)o1 ZINC000349112060 393137629 /nfs/dbraw/zinc/13/76/29/393137629.db2.gz VGGKKSDXVCMJEN-UHFFFAOYSA-N -1 3 288.351 3.282 20 0 CGADHM Cc1ccc(-c2nc(NC(=O)CC3(C)CCCC3)n[n-]2)o1 ZINC000349112060 393137632 /nfs/dbraw/zinc/13/76/32/393137632.db2.gz VGGKKSDXVCMJEN-UHFFFAOYSA-N -1 3 288.351 3.282 20 0 CGADHM CC(C)[C@H](C)N(C)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000468417215 393141345 /nfs/dbraw/zinc/14/13/45/393141345.db2.gz FGIBUGGCNYORPC-LBPRGKRZSA-N -1 3 281.371 3.357 20 0 CGADHM O=C([O-])c1ccc(CN2CCc3ccsc3C2)cc1 ZINC000263572783 393151863 /nfs/dbraw/zinc/15/18/63/393151863.db2.gz LKIMIXXRLLBBLL-UHFFFAOYSA-N -1 3 273.357 3.005 20 0 CGADHM CCc1cccc(C(=O)N2CC[C@@H](C)[C@H]2CC)c1[O-] ZINC000547820032 393152326 /nfs/dbraw/zinc/15/23/26/393152326.db2.gz UWJDJAWVCNLHNF-BXUZGUMPSA-N -1 3 261.365 3.215 20 0 CGADHM COc1ccc(CCCC(=O)[N-]OC2CCCC2)cc1 ZINC000271752579 393253421 /nfs/dbraw/zinc/25/34/21/393253421.db2.gz KZQJNGPRZNOGBN-UHFFFAOYSA-N -1 3 277.364 3.008 20 0 CGADHM CCc1ccc([O-])c(C(=O)NCc2cccc3cc[nH]c32)c1 ZINC000469471663 393196467 /nfs/dbraw/zinc/19/64/67/393196467.db2.gz APQDRBVZGJXMGQ-UHFFFAOYSA-N -1 3 294.354 3.366 20 0 CGADHM CCc1c(C(=O)Nc2ccc(Cl)cc2[O-])ccn1C ZINC000355379222 393299537 /nfs/dbraw/zinc/29/95/37/393299537.db2.gz GKHXSQYDIQWENH-UHFFFAOYSA-N -1 3 278.739 3.199 20 0 CGADHM C[C@@H]1CN(C(=O)CCCc2ccc([O-])c(F)c2)[C@@H](C)[C@H]1C ZINC000416325601 393299947 /nfs/dbraw/zinc/29/99/47/393299947.db2.gz SXFHFSKKHRJWQT-AGIUHOORSA-N -1 3 293.382 3.357 20 0 CGADHM CN(Cc1ccco1)C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000646565848 393302699 /nfs/dbraw/zinc/30/26/99/393302699.db2.gz GCIOZSBGVNHEHQ-UHFFFAOYSA-N -1 3 299.248 3.276 20 0 CGADHM O=C(N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1cccc([O-])c1 ZINC000355398939 393304871 /nfs/dbraw/zinc/30/48/71/393304871.db2.gz KVCVFDFPHKJDKN-GZBFAFLISA-N -1 3 273.376 3.481 20 0 CGADHM Cc1nc(C(C)C)oc1CNC(=O)c1ccc(C)cc1[O-] ZINC000646362990 393269975 /nfs/dbraw/zinc/26/99/75/393269975.db2.gz FHGRKYABFYNMSE-UHFFFAOYSA-N -1 3 288.347 3.050 20 0 CGADHM Cc1c(NC(=O)c2cc(-c3ccco3)[n-]n2)n[nH]c1C(C)C ZINC000649233247 393380793 /nfs/dbraw/zinc/38/07/93/393380793.db2.gz GDMRQJRCVZVRIS-UHFFFAOYSA-N -1 3 299.334 3.077 20 0 CGADHM Cc1c(NC(=O)c2cc(-c3ccco3)n[n-]2)n[nH]c1C(C)C ZINC000649233247 393380796 /nfs/dbraw/zinc/38/07/96/393380796.db2.gz GDMRQJRCVZVRIS-UHFFFAOYSA-N -1 3 299.334 3.077 20 0 CGADHM CC[C@@H](NC(=O)NCc1ccc([O-])c(F)c1)[C@H]1CC1(C)C ZINC000416729306 393338851 /nfs/dbraw/zinc/33/88/51/393338851.db2.gz KWQDPLGJFXSXKR-DGCLKSJQSA-N -1 3 294.370 3.155 20 0 CGADHM CCc1cc(C(=O)N[C@H]2C[C@@H](OC(C)(C)C)C2)ccc1[O-] ZINC000649099662 393344439 /nfs/dbraw/zinc/34/44/39/393344439.db2.gz FVMKIJXWUVEVBW-OKILXGFUSA-N -1 3 291.391 3.031 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)c1csc(Cl)c1 ZINC000649229506 393377798 /nfs/dbraw/zinc/37/77/98/393377798.db2.gz BEOWNFAFKQPPJM-UHFFFAOYSA-N -1 3 283.784 3.231 20 0 CGADHM Cc1cc(C)c2[n-]cc(C(=O)N(C)[C@H]3CC3(C)C)c(=O)c2c1 ZINC000429566633 393481295 /nfs/dbraw/zinc/48/12/95/393481295.db2.gz DJFUBQNBPZATHT-AWEZNQCLSA-N -1 3 298.386 3.015 20 0 CGADHM CC[C@H](C)[C@@H](OC)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000356560986 393484544 /nfs/dbraw/zinc/48/45/44/393484544.db2.gz BDGCSAYRTPZEEE-QPUJVOFHSA-N -1 3 271.744 3.045 20 0 CGADHM CCCCC[C@@H]1CCCN1C(=O)c1ccc2n[n-]nc2c1 ZINC000489309248 393584749 /nfs/dbraw/zinc/58/47/49/393584749.db2.gz CBJRZBRKBOCVHM-CYBMUJFWSA-N -1 3 286.379 3.143 20 0 CGADHM COC(=O)c1cnc(SC[C@@H]2CCC[C@@H](C)C2)[n-]1 ZINC000432667283 393626167 /nfs/dbraw/zinc/62/61/67/393626167.db2.gz LQOUPVLORZRBJR-NXEZZACHSA-N -1 3 268.382 3.115 20 0 CGADHM Cc1ccc2c(c1)CN(Cc1cc([O-])cc(F)c1)C2 ZINC000361109433 393674736 /nfs/dbraw/zinc/67/47/36/393674736.db2.gz FCIMEDVMZMZTCL-UHFFFAOYSA-N -1 3 257.308 3.356 20 0 CGADHM Cc1ccc(/C=C\C(=O)Nc2ccc(Cl)cc2[O-])nc1 ZINC000492418770 393732045 /nfs/dbraw/zinc/73/20/45/393732045.db2.gz CLAHZUXPEPKXRF-ALCCZGGFSA-N -1 3 288.734 3.401 20 0 CGADHM Cc1ccc(/C=C\C(=O)Nc2ccc([O-])cc2F)cc1 ZINC000492487800 393743264 /nfs/dbraw/zinc/74/32/64/393743264.db2.gz IQXRTTFYLJFEBJ-TWGQIWQCSA-N -1 3 271.291 3.492 20 0 CGADHM Cc1ccc(/C=C/C(=O)Nc2cc(Cl)ccc2[O-])nc1 ZINC000492538191 393750964 /nfs/dbraw/zinc/75/09/64/393750964.db2.gz OVOUTXYNVRNBKV-FNORWQNLSA-N -1 3 288.734 3.401 20 0 CGADHM Cc1cccc(C(=O)N2C[C@H](C)CC(C)(C)C2)c1[O-] ZINC000436839747 393717572 /nfs/dbraw/zinc/71/75/72/393717572.db2.gz VISPZHQVOCBRHF-LLVKDONJSA-N -1 3 261.365 3.209 20 0 CGADHM O=C(/C=C\SCc1ccco1)[N-]OC1CCCC1 ZINC000492370593 393725183 /nfs/dbraw/zinc/72/51/83/393725183.db2.gz XYTUPSFYQNWGEP-CLFYSBASSA-N -1 3 267.350 3.017 20 0 CGADHM Cc1ccc([O-])c(C(=O)N[C@@H](CC(F)(F)F)C(C)C)c1 ZINC000438620465 393728574 /nfs/dbraw/zinc/72/85/74/393728574.db2.gz GTPOHUWTZPYYMO-NSHDSACASA-N -1 3 289.297 3.407 20 0 CGADHM C/C=C/C=C/c1nc(-c2ccc([O-])c(OCC)c2)no1 ZINC000445425373 393792683 /nfs/dbraw/zinc/79/26/83/393792683.db2.gz CQIQJLASAMVLOV-TWTPFVCWSA-N -1 3 272.304 3.430 20 0 CGADHM Cc1cc(C(=O)NCCOC2CCCCCC2)ccc1[O-] ZINC000499814223 393808819 /nfs/dbraw/zinc/80/88/19/393808819.db2.gz INDPDQSFVLEVRS-UHFFFAOYSA-N -1 3 291.391 3.170 20 0 CGADHM CCSCCCc1noc(-c2cc(C)ccc2[O-])n1 ZINC000445762821 393821273 /nfs/dbraw/zinc/82/12/73/393821273.db2.gz ALMVDALYPHDCRD-UHFFFAOYSA-N -1 3 278.377 3.436 20 0 CGADHM CC(C)CCC[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000503964717 393910058 /nfs/dbraw/zinc/91/00/58/393910058.db2.gz QKDMBMXJWUQPDN-UHFFFAOYSA-N -1 3 293.791 3.194 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)N2CC[C@H](c3ccccc3C)C2)n1 ZINC000447855600 393866678 /nfs/dbraw/zinc/86/66/78/393866678.db2.gz SCXRFEDBTIFRCG-CABCVRRESA-N -1 3 297.402 3.350 20 0 CGADHM CCCc1nnc([N-]C(=O)c2oc(SC)cc2C)s1 ZINC000666969226 542830447 /nfs/dbraw/zinc/83/04/47/542830447.db2.gz JNGDHMFOFHNBCC-UHFFFAOYSA-N -1 3 297.405 3.366 20 0 CGADHM CC(C)c1cccc(N(C)C(=O)Cc2cncc([O-])c2)c1 ZINC000667186564 542852041 /nfs/dbraw/zinc/85/20/41/542852041.db2.gz QOHUVADSBOQUOS-UHFFFAOYSA-N -1 3 284.359 3.116 20 0 CGADHM COc1ccc([O-])c(C(=O)N(C)Cc2ccc(C)c(C)c2)c1 ZINC000456957360 394301434 /nfs/dbraw/zinc/30/14/34/394301434.db2.gz WKBCMAKXMGTFHE-UHFFFAOYSA-N -1 3 299.370 3.290 20 0 CGADHM C[C@H](NC(=O)Cc1ccc([O-])c(F)c1)[C@H]1CCC[C@@H](C)C1 ZINC000456980525 394304785 /nfs/dbraw/zinc/30/47/85/394304785.db2.gz LGDZABFLIFPAHY-DYEKYZERSA-N -1 3 293.382 3.405 20 0 CGADHM CC(C)(C)C1CN(C(=O)Cc2ccc([O-])cc2Cl)C1 ZINC000457344511 394347729 /nfs/dbraw/zinc/34/77/29/394347729.db2.gz PABAVLFDLQLOIK-UHFFFAOYSA-N -1 3 281.783 3.093 20 0 CGADHM Cc1ccc(C(=O)N2CC(C3CCCC3)C2)c([O-])c1C ZINC000436910847 292049475 /nfs/dbraw/zinc/04/94/75/292049475.db2.gz OQDAKABNYKZEKA-UHFFFAOYSA-N -1 3 273.376 3.271 20 0 CGADHM Cc1ccc(C(=O)N2CC(C)=C[C@@H](C)C2)c([O-])c1C ZINC000436999287 292049586 /nfs/dbraw/zinc/04/95/86/292049586.db2.gz KLFRJCFGVWXRGY-SNVBAGLBSA-N -1 3 259.349 3.047 20 0 CGADHM Cc1ccc(C(=O)N2C[C@H](C)Oc3ccccc32)c([O-])c1 ZINC000436538624 292069108 /nfs/dbraw/zinc/06/91/08/292069108.db2.gz KJXXBJMHZDVNBW-LBPRGKRZSA-N -1 3 283.327 3.128 20 0 CGADHM Cc1ccc(F)c([N-]S(=O)(=O)CCc2ccccc2)c1 ZINC000047992215 397635849 /nfs/dbraw/zinc/63/58/49/397635849.db2.gz ZIUQCKQLKXUJPF-UHFFFAOYSA-N -1 3 293.363 3.119 20 0 CGADHM Cc1csc(CCNCc2cccc([O-])c2Cl)n1 ZINC000393256812 397693478 /nfs/dbraw/zinc/69/34/78/397693478.db2.gz ADJWDSDSQLXTOS-UHFFFAOYSA-N -1 3 282.796 3.143 20 0 CGADHM C[C@@H]1CC[C@H](C(=O)[O-])N1Cc1c(Cl)cccc1Cl ZINC000650503657 397859712 /nfs/dbraw/zinc/85/97/12/397859712.db2.gz RLPYNCSAOUXZOH-PRHODGIISA-N -1 3 288.174 3.431 20 0 CGADHM CCCC(C)(C)c1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000650606330 397880864 /nfs/dbraw/zinc/88/08/64/397880864.db2.gz CBFXVXTUAGOMLC-UHFFFAOYSA-N -1 3 271.324 3.086 20 0 CGADHM CC[C@H](C(=O)[O-])N(C)Cc1cc2ccccc2s1 ZINC000650806574 397927390 /nfs/dbraw/zinc/92/73/90/397927390.db2.gz CTDLXGNQPXTHRE-GFCCVEGCSA-N -1 3 263.362 3.196 20 0 CGADHM Cc1cc2cc(CN(CC(=O)[O-])CC3CC3)oc2cc1C ZINC000650798417 397921912 /nfs/dbraw/zinc/92/19/12/397921912.db2.gz XUSAMOOIPSYXHU-UHFFFAOYSA-N -1 3 287.359 3.346 20 0 CGADHM CCc1cc(=O)[n-]c(CN(C2CC2)C2CCCCC2)n1 ZINC000675177715 543319976 /nfs/dbraw/zinc/31/99/76/543319976.db2.gz MXOIIEXSCMWYQE-UHFFFAOYSA-N -1 3 275.396 3.042 20 0 CGADHM O=C(NCc1ccc([O-])c(F)c1)c1cc2ccsc2[nH]1 ZINC000676218867 543387301 /nfs/dbraw/zinc/38/73/01/543387301.db2.gz FNVXDNASEVGLJR-UHFFFAOYSA-N -1 3 290.319 3.004 20 0 CGADHM C[C@@H](C(=O)Nc1ccc(Cl)cc1[O-])c1ccco1 ZINC000677212086 543440538 /nfs/dbraw/zinc/44/05/38/543440538.db2.gz KKUFQLZKJKWNIW-MRVPVSSYSA-N -1 3 265.696 3.381 20 0 CGADHM Cc1ccc(C(=O)N2CCC[C@@H]2c2ccc(O)cc2)c([O-])c1 ZINC000678317110 543514338 /nfs/dbraw/zinc/51/43/38/543514338.db2.gz SMRKARZRRDNHHC-MRXNPFEDSA-N -1 3 297.354 3.384 20 0 CGADHM C[C@@H]1CC[C@@H](C)N1Cc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000459353740 296647998 /nfs/dbraw/zinc/64/79/98/296647998.db2.gz ABZVVYUNZAWPHK-CHWSQXEVSA-N -1 3 283.375 3.222 20 0 CGADHM COc1ccc(C(=O)N2CC[C@]3(CC[C@H](C)C3)C2)c([O-])c1 ZINC000368055637 286281447 /nfs/dbraw/zinc/28/14/47/286281447.db2.gz FVNWIVZJVHDDIN-SJCJKPOMSA-N -1 3 289.375 3.053 20 0 CGADHM COc1ccc([O-])c(C(=O)N2[C@H](C)C[C@H]3CCCC[C@@H]32)c1 ZINC000173051122 286338243 /nfs/dbraw/zinc/33/82/43/286338243.db2.gz PBPXLCXSNKNMQV-JMSVASOKSA-N -1 3 289.375 3.194 20 0 CGADHM COc1cccc(C(=O)N2CC(C)(C)[C@H]3CCC[C@@H]32)c1[O-] ZINC000294673998 286440003 /nfs/dbraw/zinc/44/00/03/286440003.db2.gz JGLYUGXOXWNPRF-STQMWFEESA-N -1 3 289.375 3.052 20 0 CGADHM Cc1ccc(C(=O)N[C@H](C)Cc2ccsc2)c([O-])c1 ZINC000048482112 286906356 /nfs/dbraw/zinc/90/63/56/286906356.db2.gz NVVWDGKMDPFKGQ-LLVKDONJSA-N -1 3 275.373 3.123 20 0 CGADHM CCc1ncc(C(=O)[N-]c2nnc(CC(C)C)s2)s1 ZINC000049159255 286919043 /nfs/dbraw/zinc/91/90/43/286919043.db2.gz PWVNPJDMJAEZTJ-UHFFFAOYSA-N -1 3 296.421 3.008 20 0 CGADHM CCc1cccc(NC(=O)c2cc(OC)ccc2[O-])c1 ZINC000050107497 286930762 /nfs/dbraw/zinc/93/07/62/286930762.db2.gz HKDCKRWUOOHCRE-UHFFFAOYSA-N -1 3 271.316 3.216 20 0 CGADHM CC[C@H]1CCC[C@@H](NC(=O)c2cccc(OC)c2[O-])C1 ZINC000068604206 286979725 /nfs/dbraw/zinc/97/97/25/286979725.db2.gz LMILILXEJXCREE-NWDGAFQWSA-N -1 3 277.364 3.099 20 0 CGADHM Cc1ccc(OCCN(C)C(=O)c2cccc(C)c2[O-])cc1 ZINC000078573115 287049785 /nfs/dbraw/zinc/04/97/85/287049785.db2.gz FTLFLGWJADUSTC-UHFFFAOYSA-N -1 3 299.370 3.160 20 0 CGADHM Cc1cccc(-c2nc([C@H]3Cc4ccccc43)no2)c1[O-] ZINC000086492382 287082899 /nfs/dbraw/zinc/08/28/99/287082899.db2.gz OASHQZDGBAEALV-AWEZNQCLSA-N -1 3 278.311 3.439 20 0 CGADHM CCc1onc(C)c1[N-]C(=O)c1ccc(F)c(F)c1F ZINC000089394437 287089090 /nfs/dbraw/zinc/08/90/90/287089090.db2.gz IEQPKWDCVBPZSX-UHFFFAOYSA-N -1 3 284.237 3.215 20 0 CGADHM O=C(CCCOc1ccccc1)Nc1ccccc1[O-] ZINC000069649340 165056011 /nfs/dbraw/zinc/05/60/11/165056011.db2.gz JJZVBSMZWJMFHS-UHFFFAOYSA-N -1 3 271.316 3.190 20 0 CGADHM CSc1cccc(NCc2nc(C)ccc2[O-])c1 ZINC000078779873 165137161 /nfs/dbraw/zinc/13/71/61/165137161.db2.gz VYUUEFNGAOUHEI-UHFFFAOYSA-N -1 3 260.362 3.430 20 0 CGADHM CCc1cnc(NC(=O)c2c[n-]nc2-c2ccccc2)s1 ZINC000081231838 165161440 /nfs/dbraw/zinc/16/14/40/165161440.db2.gz HLHOWLOIEUFGKX-UHFFFAOYSA-N -1 3 298.371 3.348 20 0 CGADHM CCc1cnc(NC(=O)c2cn[n-]c2-c2ccccc2)s1 ZINC000081231838 165161441 /nfs/dbraw/zinc/16/14/41/165161441.db2.gz HLHOWLOIEUFGKX-UHFFFAOYSA-N -1 3 298.371 3.348 20 0 CGADHM O=C(CC1CCCCC1)Nc1ccc([O-])cc1F ZINC000085203730 165178569 /nfs/dbraw/zinc/17/85/69/165178569.db2.gz HHBIELRVLMPJKC-UHFFFAOYSA-N -1 3 251.301 3.440 20 0 CGADHM CCCOc1ccc(NCc2nc(C)ccc2[O-])cc1 ZINC000091995283 165278056 /nfs/dbraw/zinc/27/80/56/165278056.db2.gz XVXQNPPXELUVJY-UHFFFAOYSA-N -1 3 272.348 3.497 20 0 CGADHM Cc1ccc([O-])c(CNc2ccc(N(C)C)cc2C)n1 ZINC000091993755 165278654 /nfs/dbraw/zinc/27/86/54/165278654.db2.gz XSRWZUZJFUCUAI-UHFFFAOYSA-N -1 3 271.364 3.082 20 0 CGADHM Cc1ccc([O-])c(CN(Cc2cccc(O)c2)CC2CC2)n1 ZINC000092670586 165307565 /nfs/dbraw/zinc/30/75/65/165307565.db2.gz SRYVJPHYNNPTAA-UHFFFAOYSA-N -1 3 298.386 3.213 20 0 CGADHM C[C@@H](Oc1cccc(F)c1)C(=O)Nc1ccc([O-])cc1F ZINC000183281828 287120915 /nfs/dbraw/zinc/12/09/15/287120915.db2.gz BLXHQMYBULDIKX-SECBINFHSA-N -1 3 293.269 3.076 20 0 CGADHM COc1ccc([O-])c(-c2nc(-c3ccc(F)cc3)no2)c1 ZINC000111687831 287135888 /nfs/dbraw/zinc/13/58/88/287135888.db2.gz SHRVLXLWTMEOJN-UHFFFAOYSA-N -1 3 286.262 3.257 20 0 CGADHM Cc1ccc([O-])c(-c2nc(-c3ccc(O)cc3)no2)c1 ZINC000111687316 287135906 /nfs/dbraw/zinc/13/59/06/287135906.db2.gz PMPIUIYIXCTONW-UHFFFAOYSA-N -1 3 268.272 3.123 20 0 CGADHM CSc1ccc(NC(=O)c2ccc(C)cc2[O-])nc1 ZINC000116467167 287158096 /nfs/dbraw/zinc/15/80/96/287158096.db2.gz JLZOIMYQVXNVSY-UHFFFAOYSA-N -1 3 274.345 3.070 20 0 CGADHM O=S(=O)([N-]c1ccccc1F)c1ccc2c(c1)CCC2 ZINC000007402801 170282935 /nfs/dbraw/zinc/28/29/35/170282935.db2.gz KVELGJXYWHZKLN-UHFFFAOYSA-N -1 3 291.347 3.115 20 0 CGADHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C1CC1 ZINC000007702994 170298190 /nfs/dbraw/zinc/29/81/90/170298190.db2.gz DZFXBBKPZDFVGK-SSDOTTSWSA-N -1 3 294.203 3.070 20 0 CGADHM Cc1ccc(NC(=O)c2cn(C)c3ccccc23)c([O-])c1 ZINC000008139772 170320950 /nfs/dbraw/zinc/32/09/50/170320950.db2.gz GMPNCKIQQYBVFW-UHFFFAOYSA-N -1 3 280.327 3.445 20 0 CGADHM CC(C)(C)[C@@H]1CCCC[C@@H]1[N-]C(=O)C(F)(F)F ZINC000020466287 171209630 /nfs/dbraw/zinc/20/96/30/171209630.db2.gz KRDZLMYVWWRNHU-BDAKNGLRSA-N -1 3 251.292 3.270 20 0 CGADHM Cc1ccc(C(=O)NCc2ccc(Cl)cc2)c([O-])c1 ZINC000021057695 171296318 /nfs/dbraw/zinc/29/63/18/171296318.db2.gz JBOZHCCHLBJXTK-UHFFFAOYSA-N -1 3 275.735 3.284 20 0 CGADHM O=S(=O)([N-]CC1CCC1)c1cccc(Cl)c1Cl ZINC000030360233 171616557 /nfs/dbraw/zinc/61/65/57/171616557.db2.gz NFFPYZBQJPXZQS-UHFFFAOYSA-N -1 3 294.203 3.072 20 0 CGADHM CCC(=O)Nc1ccc(NCc2nc(C)ccc2[O-])cc1 ZINC000078780110 177386890 /nfs/dbraw/zinc/38/68/90/177386890.db2.gz BLYKCHWBJJPUPA-UHFFFAOYSA-N -1 3 285.347 3.056 20 0 CGADHM O=C(CCc1ccc(F)cc1)Nc1cccc([O-])c1F ZINC000129452158 287332184 /nfs/dbraw/zinc/33/21/84/287332184.db2.gz PZNUIPMYDAOCMT-UHFFFAOYSA-N -1 3 277.270 3.242 20 0 CGADHM Cc1cccc(C(=O)N[C@@H](C)Cc2ccsc2)c1[O-] ZINC000048482170 416454758 /nfs/dbraw/zinc/45/47/58/416454758.db2.gz YEFBKGCMEQVREO-NSHDSACASA-N -1 3 275.373 3.123 20 0 CGADHM CCOc1cccc(C(=O)Nc2ccc(C)cc2[O-])c1 ZINC000048625654 416456906 /nfs/dbraw/zinc/45/69/06/416456906.db2.gz UOPILMSLJPQQCV-UHFFFAOYSA-N -1 3 271.316 3.352 20 0 CGADHM Cn1c(C(=O)Nc2ccccc2[O-])cc2ccccc21 ZINC000048651962 416457096 /nfs/dbraw/zinc/45/70/96/416457096.db2.gz IXBNWZARMGUWQI-UHFFFAOYSA-N -1 3 266.300 3.136 20 0 CGADHM C[C@H](CC(=O)Nc1ncccc1[O-])c1ccc(F)cc1 ZINC000048723453 416457909 /nfs/dbraw/zinc/45/79/09/416457909.db2.gz JMDISYWLALGJRY-SNVBAGLBSA-N -1 3 274.295 3.059 20 0 CGADHM C[C@@]1(C(=O)[O-])CCCN(Cc2sccc2Cl)C1 ZINC000304628252 416527133 /nfs/dbraw/zinc/52/71/33/416527133.db2.gz YQFIBWXAWCAARK-GFCCVEGCSA-N -1 3 273.785 3.088 20 0 CGADHM C[C@H](Oc1cccc(F)c1)C(=O)Nc1cccc([O-])c1F ZINC000129485852 287333378 /nfs/dbraw/zinc/33/33/78/287333378.db2.gz KFWAVYRYARZXCD-VIFPVBQESA-N -1 3 293.269 3.076 20 0 CGADHM Cc1cccc(C(=O)N2C[C@@H](C)c3ccccc32)c1[O-] ZINC000130059386 287344048 /nfs/dbraw/zinc/34/40/48/287344048.db2.gz FJAUCWHJQCXVBF-GFCCVEGCSA-N -1 3 267.328 3.465 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)[C@]2(C)CCCCO2)c1[O-] ZINC000457668186 225442242 /nfs/dbraw/zinc/44/22/42/225442242.db2.gz LKTXYDKHZMXYJK-AWEZNQCLSA-N -1 3 283.755 3.252 20 0 CGADHM Cc1nc(C(=O)Nc2cc(Cl)ccc2[O-])sc1C ZINC000683541622 543923376 /nfs/dbraw/zinc/92/33/76/543923376.db2.gz LHOLRYCJJYDZBE-UHFFFAOYSA-N -1 3 282.752 3.371 20 0 CGADHM Cc1nc(-c2nc(-c3ccc([O-])cc3)no2)sc1C ZINC000683668557 543931431 /nfs/dbraw/zinc/93/14/31/543931431.db2.gz FPCINMIATUEHOI-UHFFFAOYSA-N -1 3 273.317 3.183 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N2CCC(C3CCCC3)CC2)n1 ZINC000684093316 543966971 /nfs/dbraw/zinc/96/69/71/543966971.db2.gz PUXKAACGUYZYIU-ZDUSSCGKSA-N -1 3 289.423 3.454 20 0 CGADHM [O-]c1cccnc1CN1CCC(c2ccccc2)CC1 ZINC000685409593 544065167 /nfs/dbraw/zinc/06/51/67/544065167.db2.gz XCTQEVVMCKCOSK-UHFFFAOYSA-N -1 3 268.360 3.167 20 0 CGADHM Cc1cccc([N-]S(=O)(=O)CCC(C)(C)C)c1F ZINC000685901695 544106212 /nfs/dbraw/zinc/10/62/12/544106212.db2.gz VRHNWHIXLGCERK-UHFFFAOYSA-N -1 3 273.373 3.312 20 0 CGADHM O=C(N[C@@H](c1cccs1)C1CC1)c1cccc([O-])c1 ZINC000354887254 227206169 /nfs/dbraw/zinc/20/61/69/227206169.db2.gz QFMABPGBECXOFE-CQSZACIVSA-N -1 3 273.357 3.335 20 0 CGADHM Cc1cccc(Cl)c1CN1CCCC[C@@H]1CC(=O)[O-] ZINC000652463432 418971183 /nfs/dbraw/zinc/97/11/83/418971183.db2.gz FOZWEQHQCVCVAS-GFCCVEGCSA-N -1 3 281.783 3.478 20 0 CGADHM CCC(C)(C)CCN1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000652470947 418972687 /nfs/dbraw/zinc/97/26/87/418972687.db2.gz ODIAANMMNVKDFB-HNNXBMFYSA-N -1 3 275.392 3.497 20 0 CGADHM Cc1cccc(Cl)c1CN(CCC(=O)[O-])C(C)C ZINC000652478724 418972701 /nfs/dbraw/zinc/97/27/01/418972701.db2.gz UCOPOIIHVMUFSS-UHFFFAOYSA-N -1 3 269.772 3.334 20 0 CGADHM CCc1cc(=O)[n-]c(-c2ccc(NCC3=CCCC3)nc2)n1 ZINC000664541987 418974088 /nfs/dbraw/zinc/97/40/88/418974088.db2.gz JCXTUCRGLZLFSE-UHFFFAOYSA-N -1 3 296.374 3.329 20 0 CGADHM Cc1ccccc1[C@H](C(=O)[O-])N1CCOc2ccccc2C1 ZINC000652398871 418961012 /nfs/dbraw/zinc/96/10/12/418961012.db2.gz DASGIWRMJKZDTQ-QGZVFWFLSA-N -1 3 297.354 3.015 20 0 CGADHM C[C@@H]1CCCN1Cc1c(Br)cccc1C(=O)[O-] ZINC000652411139 418964913 /nfs/dbraw/zinc/96/49/13/418964913.db2.gz DZINWEZYNPRQLD-SECBINFHSA-N -1 3 298.180 3.132 20 0 CGADHM CCCC1CCC(CNCc2nocc2C(=O)[O-])CC1 ZINC000653507239 419039927 /nfs/dbraw/zinc/03/99/27/419039927.db2.gz BWWRCSWXISBSEQ-UHFFFAOYSA-N -1 3 280.368 3.069 20 0 CGADHM CC[C@H](CC(F)F)CN1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000659788315 418990364 /nfs/dbraw/zinc/99/03/64/418990364.db2.gz HCSKDDSVGYLBKZ-RISCZKNCSA-N -1 3 297.345 3.352 20 0 CGADHM O=c1nc(CN2CC[C@@H](C3CCC3)C2)[n-]c2ccsc21 ZINC000665288823 419106619 /nfs/dbraw/zinc/10/66/19/419106619.db2.gz YUUUVXFZPUTLGP-LLVKDONJSA-N -1 3 289.404 3.019 20 0 CGADHM CCc1ccc(-c2nc(-c3nc(C)c(C)[nH]3)no2)c([O-])c1 ZINC000665087221 419052552 /nfs/dbraw/zinc/05/25/52/419052552.db2.gz FDPAURQVVAHJFP-UHFFFAOYSA-N -1 3 284.319 3.012 20 0 CGADHM CC(C)CCOc1ccccc1[N-]S(=O)(=O)C1CC1 ZINC000655587397 419059429 /nfs/dbraw/zinc/05/94/29/419059429.db2.gz RTNDSBVGSBJSSH-UHFFFAOYSA-N -1 3 283.393 3.016 20 0 CGADHM Cc1cc(C)c(S(=O)(=O)[N-]C(C)(C)C(C)(F)F)s1 ZINC000656186280 419146889 /nfs/dbraw/zinc/14/68/89/419146889.db2.gz PHQSDAJZLLNEOD-UHFFFAOYSA-N -1 3 297.392 3.077 20 0 CGADHM CO[C@H](CN(C)Cc1ccc(C(=O)[O-])cc1)C1CCCC1 ZINC000656756969 419209097 /nfs/dbraw/zinc/20/90/97/419209097.db2.gz POQRGHXKQLLXNZ-MRXNPFEDSA-N -1 3 291.391 3.022 20 0 CGADHM O=C([O-])c1ccccc1CN1CCC(c2ccco2)CC1 ZINC000656757400 419209807 /nfs/dbraw/zinc/20/98/07/419209807.db2.gz NAZGYTKYTYJKPD-UHFFFAOYSA-N -1 3 285.343 3.357 20 0 CGADHM CC(=O)c1ccsc1[N-]C(=O)c1coc(C2CCC2)n1 ZINC000661056647 419224164 /nfs/dbraw/zinc/22/41/64/419224164.db2.gz AMSHIUHBCCDTPO-UHFFFAOYSA-N -1 3 290.344 3.459 20 0 CGADHM CC(C)(C)OCCCCOc1ccc2c([O-])coc2c1 ZINC000664133886 419835756 /nfs/dbraw/zinc/83/57/56/419835756.db2.gz DJMKBEUTLOJLEL-UHFFFAOYSA-N -1 3 278.348 3.236 20 0 CGADHM Cc1cc(C(=O)NC[C@@H]2CCCC[C@H]2C)ccc1[O-] ZINC000227022511 287636764 /nfs/dbraw/zinc/63/67/64/287636764.db2.gz SOOOPBAEOIVLMI-RISCZKNCSA-N -1 3 261.365 3.257 20 0 CGADHM O=C(Nc1ccccc1[O-])c1cccnc1C(F)(F)F ZINC000179905574 260080028 /nfs/dbraw/zinc/08/00/28/260080028.db2.gz KZCSPDSFMMQEPI-UHFFFAOYSA-N -1 3 282.221 3.058 20 0 CGADHM Cc1cc(F)ccc1S(=O)(=O)[N-]c1c(C)cccc1F ZINC000180743438 260109941 /nfs/dbraw/zinc/10/99/41/260109941.db2.gz PJJGWBLPGWSNKP-UHFFFAOYSA-N -1 3 297.326 3.382 20 0 CGADHM CCC[C@H]1CCCCN1C(=O)c1ccc(C)cc1[O-] ZINC000213452281 262948233 /nfs/dbraw/zinc/94/82/33/262948233.db2.gz PATSLCLLFLRHRO-ZDUSSCGKSA-N -1 3 261.365 3.495 20 0 CGADHM Cc1cccc(S(=O)(=O)[N-]c2ccc(F)cc2C)c1 ZINC000034378766 270027606 /nfs/dbraw/zinc/02/76/06/270027606.db2.gz ZSYXZMZMOMXSFZ-UHFFFAOYSA-N -1 3 279.336 3.243 20 0 CGADHM O=C(CCOc1ccccc1Cl)Nc1ccccc1[O-] ZINC000127516606 270051799 /nfs/dbraw/zinc/05/17/99/270051799.db2.gz DTFUFOFJUOKGLB-UHFFFAOYSA-N -1 3 291.734 3.453 20 0 CGADHM COc1cc(C)cc(C(=O)Nc2ccc(F)cc2)c1[O-] ZINC000106455734 270048818 /nfs/dbraw/zinc/04/88/18/270048818.db2.gz KSIIQAFSSQAHBF-UHFFFAOYSA-N -1 3 275.279 3.101 20 0 CGADHM Cc1ccc(C(=O)N[C@H]2CCc3c2cccc3C)c([O-])c1 ZINC000519162589 265348756 /nfs/dbraw/zinc/34/87/56/265348756.db2.gz YGNRGIVVDLYHGO-INIZCTEOSA-N -1 3 281.355 3.426 20 0 CGADHM CCc1ccccc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000187162874 270067858 /nfs/dbraw/zinc/06/78/58/270067858.db2.gz YBLNELPEUCIYRS-UHFFFAOYSA-N -1 3 279.336 3.189 20 0 CGADHM O=C(Nc1nccs1)c1cc([O-])ccc1C(F)(F)F ZINC000188831051 270070124 /nfs/dbraw/zinc/07/01/24/270070124.db2.gz QIHGOUKKIQFENF-UHFFFAOYSA-N -1 3 288.250 3.120 20 0 CGADHM O=C(/C=C/c1cncc([O-])c1)Nc1ccsc1Cl ZINC000189505552 270071975 /nfs/dbraw/zinc/07/19/75/270071975.db2.gz HZKUIXUEJORDJL-OWOJBTEDSA-N -1 3 280.736 3.154 20 0 CGADHM Cc1ccc(NC(=O)c2ccncc2C(F)(F)F)c([O-])c1 ZINC000192129010 270076965 /nfs/dbraw/zinc/07/69/65/270076965.db2.gz OLMIYGXOXHWTKY-UHFFFAOYSA-N -1 3 296.248 3.367 20 0 CGADHM Cc1cc2c([n-]c(Cc3nc4ccccc4o3)nc2=O)s1 ZINC000193545102 270078950 /nfs/dbraw/zinc/07/89/50/270078950.db2.gz LAZBEYUWPFNDLS-UHFFFAOYSA-N -1 3 297.339 3.025 20 0 CGADHM CC(C)C1(C)CCN(Cc2ccoc2C(=O)[O-])CC1 ZINC000517575590 270097485 /nfs/dbraw/zinc/09/74/85/270097485.db2.gz IIRBLOIKGYFSSH-UHFFFAOYSA-N -1 3 265.353 3.236 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)c2cccc(F)c2)c1-c1ccccc1 ZINC000523333067 270108537 /nfs/dbraw/zinc/10/85/37/270108537.db2.gz JTOLRVYKMWQYHV-UHFFFAOYSA-N -1 3 295.317 3.198 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2cc(C)ccc2O)c1 ZINC000523663748 270110133 /nfs/dbraw/zinc/11/01/33/270110133.db2.gz MYGZCKVWGBSMHA-UHFFFAOYSA-N -1 3 271.316 3.221 20 0 CGADHM CCc1ccc([O-])c(C(=O)N[C@H](C)Cc2ccsc2)c1 ZINC000523664853 270110224 /nfs/dbraw/zinc/11/02/24/270110224.db2.gz UVJKGORRIKVMQD-LLVKDONJSA-N -1 3 289.400 3.377 20 0 CGADHM C[C@H](CCC1CCCCC1)NC(=O)c1csc(=O)[n-]1 ZINC000525922173 270120614 /nfs/dbraw/zinc/12/06/14/270120614.db2.gz BKWZAYRRMMRXBO-SNVBAGLBSA-N -1 3 282.409 3.328 20 0 CGADHM Cc1nc2cc(C(=O)Nc3cccc([O-])c3F)ccc2o1 ZINC000525928291 270120779 /nfs/dbraw/zinc/12/07/79/270120779.db2.gz WGENZSCQBNPJAO-UHFFFAOYSA-N -1 3 286.262 3.233 20 0 CGADHM CC(C)c1cccc(CNC(=O)c2cccc3nn[n-]c32)c1 ZINC000526122570 270123412 /nfs/dbraw/zinc/12/34/12/270123412.db2.gz JYSJBUZZQYXIDT-UHFFFAOYSA-N -1 3 294.358 3.011 20 0 CGADHM CC(C)c1cccc(CNC(=O)c2cccc3[n-]nnc32)c1 ZINC000526122570 270123413 /nfs/dbraw/zinc/12/34/13/270123413.db2.gz JYSJBUZZQYXIDT-UHFFFAOYSA-N -1 3 294.358 3.011 20 0 CGADHM CC(C)c1cccc(CNC(=O)c2cccc3n[n-]nc32)c1 ZINC000526122570 270123414 /nfs/dbraw/zinc/12/34/14/270123414.db2.gz JYSJBUZZQYXIDT-UHFFFAOYSA-N -1 3 294.358 3.011 20 0 CGADHM CC(C)c1ccc(CNC(=O)c2cccc3nn[n-]c32)cc1 ZINC000527357612 270127424 /nfs/dbraw/zinc/12/74/24/270127424.db2.gz ZPERNNSTNJDGCW-UHFFFAOYSA-N -1 3 294.358 3.011 20 0 CGADHM CC(C)c1ccc(CNC(=O)c2cccc3[n-]nnc32)cc1 ZINC000527357612 270127425 /nfs/dbraw/zinc/12/74/25/270127425.db2.gz ZPERNNSTNJDGCW-UHFFFAOYSA-N -1 3 294.358 3.011 20 0 CGADHM CC(C)c1ccc(CNC(=O)c2cccc3n[n-]nc32)cc1 ZINC000527357612 270127426 /nfs/dbraw/zinc/12/74/26/270127426.db2.gz ZPERNNSTNJDGCW-UHFFFAOYSA-N -1 3 294.358 3.011 20 0 CGADHM CC1(C)CC(NC(=O)c2cc([O-])cc(Br)c2)C1 ZINC000529527564 270182815 /nfs/dbraw/zinc/18/28/15/270182815.db2.gz UKVMEVDBNMYQSS-UHFFFAOYSA-N -1 3 298.180 3.073 20 0 CGADHM Cc1ccc([O-])c(C(=O)N[C@@H](c2ccccn2)C2CCC2)c1 ZINC000529825847 270189269 /nfs/dbraw/zinc/18/92/69/270189269.db2.gz MVVOLWWJDLNXBN-QGZVFWFLSA-N -1 3 296.370 3.367 20 0 CGADHM CC(C)(C)CCN1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC000530168679 270195324 /nfs/dbraw/zinc/19/53/24/270195324.db2.gz MBGDVYDZZASEFV-UHFFFAOYSA-N -1 3 279.355 3.318 20 0 CGADHM O=C([O-])c1ccc(F)c2c1CN(CCC1CCCC1)CC2 ZINC000530167212 270195349 /nfs/dbraw/zinc/19/53/49/270195349.db2.gz AWPHTFLBHOHFEQ-UHFFFAOYSA-N -1 3 291.366 3.462 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)[C@@H](C)C(C)C)c1-c1ccc(C)cc1 ZINC000530271159 270198127 /nfs/dbraw/zinc/19/81/27/270198127.db2.gz AHKHWXCBPDZBEC-LBPRGKRZSA-N -1 3 285.391 3.346 20 0 CGADHM CCC[C@@H](C)C(=O)N=c1[nH][n-]c(C)c1-c1ccc(F)cc1 ZINC000530274662 270198234 /nfs/dbraw/zinc/19/82/34/270198234.db2.gz QMZNPCVSGUDOJI-SNVBAGLBSA-N -1 3 289.354 3.321 20 0 CGADHM C[C@@H]1CCC[C@H](OCC(=O)Nc2cc(F)ccc2[O-])C1 ZINC000530895860 270203528 /nfs/dbraw/zinc/20/35/28/270203528.db2.gz JEBQIBBXHVGNPW-PWSUYJOCSA-N -1 3 281.327 3.065 20 0 CGADHM Cn1ncc2ccc(-c3nc4ccc(F)cc4c(=O)[n-]3)cc21 ZINC000533005789 270220850 /nfs/dbraw/zinc/22/08/50/270220850.db2.gz XRZUJDDEULBKKU-UHFFFAOYSA-N -1 3 294.289 3.028 20 0 CGADHM CC(C)c1cccc([O-])c1I ZINC000095710460 278055670 /nfs/dbraw/zinc/05/56/70/278055670.db2.gz NNGXDIFCELVZES-UHFFFAOYSA-N -1 3 262.090 3.120 20 0 CGADHM CC(=O)c1ncc(C(=O)[N-]c2nc(C(C)C)cs2)s1 ZINC000411215738 275507697 /nfs/dbraw/zinc/50/76/97/275507697.db2.gz RSSUIUBQIKAHNH-UHFFFAOYSA-N -1 3 295.389 3.178 20 0 CGADHM CCC[C@@H]1CCCCN1C(=O)c1ccc(OC)cc1[O-] ZINC000213418437 276273696 /nfs/dbraw/zinc/27/36/96/276273696.db2.gz WLASPMYSTZISND-GFCCVEGCSA-N -1 3 277.364 3.196 20 0 CGADHM CC[C@@H](SC)C(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000186342383 276447134 /nfs/dbraw/zinc/44/71/34/276447134.db2.gz FTFJOGPADDDYRO-ZWNOBZJWSA-N -1 3 279.405 3.374 20 0 CGADHM CC[C@H]1CCC[C@H]1NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000268381722 276612011 /nfs/dbraw/zinc/61/20/11/276612011.db2.gz OCHJUBCARVOONU-WCQYABFASA-N -1 3 284.359 3.249 20 0 CGADHM Cc1cc(C(=O)NC[C@@H](C)CC(F)(F)F)ccc1[O-] ZINC000396993108 288019652 /nfs/dbraw/zinc/01/96/52/288019652.db2.gz CQTGSZBKEFHUME-QMMMGPOBSA-N -1 3 275.270 3.019 20 0 CGADHM C[C@H]1CCN(C(=O)c2cscn2)c2c([O-])cccc21 ZINC000186263444 278364523 /nfs/dbraw/zinc/36/45/23/278364523.db2.gz KJDXDRZLYWPACW-VIFPVBQESA-N -1 3 274.345 3.003 20 0 CGADHM C[C@H]1CC[C@H](NC(=O)c2cc([O-])ccc2Cl)CC1 ZINC000290875964 278383718 /nfs/dbraw/zinc/38/37/18/278383718.db2.gz SXSZBNCGPAOCHG-MGCOHNPYSA-N -1 3 267.756 3.354 20 0 CGADHM CCOc1ccc(F)c([N-]C(=O)c2cc(C)sn2)c1F ZINC000436031739 288068899 /nfs/dbraw/zinc/06/88/99/288068899.db2.gz DZHCWKIMQPZJKY-UHFFFAOYSA-N -1 3 298.314 3.381 20 0 CGADHM CC[C@@H](NCc1cc(=O)[n-]c(C2CC2)n1)c1cccs1 ZINC000459401185 288089535 /nfs/dbraw/zinc/08/95/35/288089535.db2.gz IKGDFPCDTBKTML-GFCCVEGCSA-N -1 3 289.404 3.362 20 0 CGADHM Cc1nc2c(cccc2C(=O)Nc2ccc(C)cc2[O-])o1 ZINC000349301667 279113105 /nfs/dbraw/zinc/11/31/05/279113105.db2.gz XZFFWPOXEVYUSW-UHFFFAOYSA-N -1 3 282.299 3.403 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)N2CC[C@@H](C)C3(CCC3)C2)n1 ZINC000517010171 288130176 /nfs/dbraw/zinc/13/01/76/288130176.db2.gz SZKGWGULVKQVBD-DGCLKSJQSA-N -1 3 275.396 3.064 20 0 CGADHM O=C(/C=C/c1cncc([O-])c1)N1CCC[C@@]2(CC=CCC2)C1 ZINC000179499538 279723007 /nfs/dbraw/zinc/72/30/07/279723007.db2.gz QWSIYLJEMKKCCH-QWNKOJSDSA-N -1 3 298.386 3.149 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)N[C@H](c2ccccn2)C2CCC2)n1 ZINC000528660077 288212160 /nfs/dbraw/zinc/21/21/60/288212160.db2.gz PMWFPPISQFNEMW-WBMJQRKESA-N -1 3 298.390 3.078 20 0 CGADHM C[C@@H]1CC(F)(F)CCN1C(=O)c1cc([O-])ccc1Cl ZINC000530008948 288283603 /nfs/dbraw/zinc/28/36/03/288283603.db2.gz MEVFEOPWFQGJGR-MRVPVSSYSA-N -1 3 289.709 3.305 20 0 CGADHM Cc1ccc(CN2[C@H](C)CC(C(=O)[O-])C[C@H]2C)cc1F ZINC000530172350 288292262 /nfs/dbraw/zinc/29/22/62/288292262.db2.gz HTUSMLHJAGDDOL-VXGBXAGGSA-N -1 3 279.355 3.208 20 0 CGADHM COc1ccc([O-])c(C(=O)N[C@H](C)[C@H](C)c2ccccc2)c1 ZINC000530847958 288318061 /nfs/dbraw/zinc/31/80/61/288318061.db2.gz UZKMJBXAJMWXIZ-QWHCGFSZSA-N -1 3 299.370 3.323 20 0 CGADHM CCc1cccc(C(=O)Nc2ccc3nc(C)cn3c2)c1[O-] ZINC000530954955 288320280 /nfs/dbraw/zinc/32/02/80/288320280.db2.gz DDCGBAKHPIEEKT-UHFFFAOYSA-N -1 3 295.342 3.163 20 0 CGADHM CCc1ccc(C(=O)N2C[C@@H](C)CC(C)(C)C2)c([O-])c1 ZINC000436838834 281398412 /nfs/dbraw/zinc/39/84/12/281398412.db2.gz MBLQCHQAXYWBSW-LBPRGKRZSA-N -1 3 275.392 3.463 20 0 CGADHM CCc1cccc(C(=O)N[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)c1[O-] ZINC000532184422 288353806 /nfs/dbraw/zinc/35/38/06/288353806.db2.gz HVKOJPYGAFTFIW-IXDOHACOSA-N -1 3 293.366 3.023 20 0 CGADHM Cc1cscc1-c1nc(-c2ccc([O-])cc2)no1 ZINC000094248158 281757756 /nfs/dbraw/zinc/75/77/56/281757756.db2.gz REJLVRWKQMVRPC-UHFFFAOYSA-N -1 3 258.302 3.479 20 0 CGADHM CCc1cccc(-c2nc(-c3nc(C)cs3)no2)c1[O-] ZINC000546501637 288929433 /nfs/dbraw/zinc/92/94/33/288929433.db2.gz ANJOHWMXBYOSKZ-UHFFFAOYSA-N -1 3 287.344 3.437 20 0 CGADHM CCc1cc(C(=O)NCCOc2ccc(C)cc2)ccc1[O-] ZINC000552932089 289203189 /nfs/dbraw/zinc/20/31/89/289203189.db2.gz MIEWLAMMYJUGNH-UHFFFAOYSA-N -1 3 299.370 3.072 20 0 CGADHM [O-]c1cc2c(cc1-c1nc(-c3cncs3)no1)CCCC2 ZINC000556007400 289366979 /nfs/dbraw/zinc/36/69/79/289366979.db2.gz OEMVDDHITAJVFW-UHFFFAOYSA-N -1 3 299.355 3.445 20 0 CGADHM O=C(CC/C=C/c1ccccc1)N=c1cc2ccccn2[n-]1 ZINC000557530560 289445353 /nfs/dbraw/zinc/44/53/53/289445353.db2.gz BEQDGGPJJYUQRF-ONNFQVAWSA-N -1 3 291.354 3.188 20 0 CGADHM C[C@H](c1ccc(Cl)cc1)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000263361498 290227375 /nfs/dbraw/zinc/22/73/75/290227375.db2.gz SAGOAFUJJZJALB-WZRBSPASSA-N -1 3 281.783 3.444 20 0 CGADHM Cc1nc(C(=O)N2CC[C@H](C)c3cccc([O-])c32)c(C)o1 ZINC000293646172 293170507 /nfs/dbraw/zinc/17/05/07/293170507.db2.gz ZFSAAWOZYRLAQM-VIFPVBQESA-N -1 3 286.331 3.151 20 0 CGADHM COc1ccccc1CN[C@@H](CCC(=O)[O-])c1ccccc1 ZINC000417602890 295363054 /nfs/dbraw/zinc/36/30/54/295363054.db2.gz PLACQGIUOPKZSR-INIZCTEOSA-N -1 3 299.370 3.391 20 0 CGADHM C[C@@H]1C[C@@H]1c1ccc(CN2C[C@@H](C(=O)[O-])CC[C@@H]2C)o1 ZINC000263461881 297310797 /nfs/dbraw/zinc/31/07/97/297310797.db2.gz BWKABSOIIISOFM-UHXUPSOCSA-N -1 3 277.364 3.088 20 0 CGADHM C[C@H]1CC[C@H](C(=O)[O-])CN1Cc1cc(Cl)cs1 ZINC000263454798 300054528 /nfs/dbraw/zinc/05/45/28/300054528.db2.gz AMQYWFUWPVMHJE-IUCAKERBSA-N -1 3 273.785 3.087 20 0 CGADHM C[C@H]1CC[C@H](C(=O)[O-])CN1Cc1ccccc1Cl ZINC000263510325 300054721 /nfs/dbraw/zinc/05/47/21/300054721.db2.gz NGJBIYNKHRROOE-JQWIXIFHSA-N -1 3 267.756 3.025 20 0 CGADHM Cc1cccc2c(=O)c(C(=O)N3C[C@H](C)C[C@H](C)C3)c[n-]c12 ZINC000154918716 302053944 /nfs/dbraw/zinc/05/39/44/302053944.db2.gz OZENTHHWFRDTCP-TXEJJXNPSA-N -1 3 298.386 3.367 20 0 CGADHM CN(C(=O)c1cccc([O-])c1)[C@@H]1CCc2ccccc21 ZINC000193062649 327945548 /nfs/dbraw/zinc/94/55/48/327945548.db2.gz KEGGCZBAYCZKOV-MRXNPFEDSA-N -1 3 267.328 3.152 20 0 CGADHM COc1cccc(C(=O)Nc2cscc2C)c1[O-] ZINC000156705633 321785484 /nfs/dbraw/zinc/78/54/84/321785484.db2.gz FSVRNKRXKAYDPG-UHFFFAOYSA-N -1 3 263.318 3.023 20 0 CGADHM CC(C)CC1(c2nc(-c3ccc4n[n-]nc4c3)no2)CC1 ZINC000564862458 322046751 /nfs/dbraw/zinc/04/67/51/322046751.db2.gz PHWCGANKYYJWPI-UHFFFAOYSA-N -1 3 283.335 3.086 20 0 CGADHM CCC[C@@H](CC)S(=O)(=O)[N-]c1cnn([C@@H](C)C2CC2)c1 ZINC000565053523 322057299 /nfs/dbraw/zinc/05/72/99/322057299.db2.gz AEYDDDZXKGYPDJ-SMDDNHRTSA-N -1 3 299.440 3.175 20 0 CGADHM CC[C@]1(C)CCCN(Cc2cc(C(=O)[O-])oc2C)C1 ZINC000565105929 322061059 /nfs/dbraw/zinc/06/10/59/322061059.db2.gz UQJSSUXWUXJMPY-OAHLLOKOSA-N -1 3 265.353 3.298 20 0 CGADHM CC[C@H](c1ccccc1)N(CC(=O)[O-])Cc1cccnc1 ZINC000567369065 322161039 /nfs/dbraw/zinc/16/10/39/322161039.db2.gz PSYIHCVCIZJOQS-MRXNPFEDSA-N -1 3 284.359 3.120 20 0 CGADHM C[C@H](c1ccc(F)cc1)N(C)Cc1ncccc1[O-] ZINC000567398597 322161618 /nfs/dbraw/zinc/16/16/18/322161618.db2.gz HCJBQNQPUXPZQL-LLVKDONJSA-N -1 3 260.312 3.119 20 0 CGADHM CCSc1cccc(F)c1[N-]C(=O)c1ccn(CC)n1 ZINC000567737142 322175642 /nfs/dbraw/zinc/17/56/42/322175642.db2.gz JKCISPBYYGBRGO-UHFFFAOYSA-N -1 3 293.367 3.406 20 0 CGADHM CC1=C(c2ccco2)CN(c2ccncc2C(=O)[O-])CC1 ZINC000567985051 322186855 /nfs/dbraw/zinc/18/68/55/322186855.db2.gz IUHZMUOSUSYNCL-UHFFFAOYSA-N -1 3 284.315 3.057 20 0 CGADHM CO[C@H]1CCCC[C@@H]1C(=O)Nc1c([O-])cccc1Cl ZINC000568214490 322198669 /nfs/dbraw/zinc/19/86/69/322198669.db2.gz YRMHMCNRNXGOGM-CABZTGNLSA-N -1 3 283.755 3.189 20 0 CGADHM Cc1ccc2c(CC(=O)Nc3nc(C)ccc3[O-])coc2c1 ZINC000569312796 322242991 /nfs/dbraw/zinc/24/29/91/322242991.db2.gz SXIGESAGRVFBIG-UHFFFAOYSA-N -1 3 296.326 3.331 20 0 CGADHM COc1ccc([C@@H]2CCCN2Cc2ncccc2[O-])cc1 ZINC000569509244 322249440 /nfs/dbraw/zinc/24/94/40/322249440.db2.gz ZPRJYTPVMWSDQE-INIZCTEOSA-N -1 3 284.359 3.133 20 0 CGADHM CCC[C@@H](CC)S(=O)(=O)[N-]c1c(C)cccc1O ZINC000571288807 322295045 /nfs/dbraw/zinc/29/50/45/322295045.db2.gz IITZGMZYMSZINF-LLVKDONJSA-N -1 3 271.382 3.021 20 0 CGADHM CS[C@@H]1CCCCN(Cc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000571418886 322298438 /nfs/dbraw/zinc/29/84/38/322298438.db2.gz PZBWOGLCQLKXRT-GFCCVEGCSA-N -1 3 297.395 3.241 20 0 CGADHM COCCC[C@@H](C)C(=O)Nc1c([O-])cccc1Cl ZINC000572541152 322342331 /nfs/dbraw/zinc/34/23/31/322342331.db2.gz URPWZQDBJHEMAG-SECBINFHSA-N -1 3 271.744 3.047 20 0 CGADHM CO[C@H]1CCN([C@H](C)c2cc(C)c(C(=O)[O-])o2)CC1(C)C ZINC000572975872 322364164 /nfs/dbraw/zinc/36/41/64/322364164.db2.gz FVQHQXFQCKTOEM-YPMHNXCESA-N -1 3 295.379 3.094 20 0 CGADHM C[C@H]1CC[C@@](CNCc2cccc(F)c2F)(CC(=O)[O-])C1 ZINC000573156578 322373286 /nfs/dbraw/zinc/37/32/86/322373286.db2.gz UIRQENZFJHOAKE-ZBEGNZNMSA-N -1 3 297.345 3.336 20 0 CGADHM Cc1ccccc1[C@H](C)N(C)Cc1ccoc1C(=O)[O-] ZINC000573259133 322378717 /nfs/dbraw/zinc/37/87/17/322378717.db2.gz JCUZWWCDOCUFIK-LBPRGKRZSA-N -1 3 273.332 3.479 20 0 CGADHM Cc1cc([C@H](C)N2C[C@H](C)S[C@@H](C)C2)oc1C(=O)[O-] ZINC000573259264 322378808 /nfs/dbraw/zinc/37/88/08/322378808.db2.gz PBWBGGLNUYMBGQ-DCAQKATOSA-N -1 3 283.393 3.173 20 0 CGADHM CCC[C@H](CC)S(=O)(=O)[N-]c1ccccc1OCC ZINC000573784116 322406422 /nfs/dbraw/zinc/40/64/22/322406422.db2.gz KWPYJCZXCPCZEV-LBPRGKRZSA-N -1 3 285.409 3.406 20 0 CGADHM CCC1(CC)CCC(NC(=O)Cc2cncc([O-])c2)CC1 ZINC000582431115 328987556 /nfs/dbraw/zinc/98/75/56/328987556.db2.gz TULUIPDEWXETSM-UHFFFAOYSA-N -1 3 290.407 3.195 20 0 CGADHM Cc1ccc(C[C@H](C)N(C)Cc2ccoc2C(=O)[O-])cc1 ZINC000582790859 329204462 /nfs/dbraw/zinc/20/44/62/329204462.db2.gz INMGBVAASRHWDL-ZDUSSCGKSA-N -1 3 287.359 3.349 20 0 CGADHM Cc1cccc(CN(C)Cc2ncccc2[O-])c1C ZINC000584387446 329317117 /nfs/dbraw/zinc/31/71/17/329317117.db2.gz PRCTXSXHTSDWCQ-UHFFFAOYSA-N -1 3 256.349 3.036 20 0 CGADHM COc1cccc(Cl)c1CN1C[C@@H](C(=O)[O-])CC[C@@H]1C ZINC000397124815 329341947 /nfs/dbraw/zinc/34/19/47/329341947.db2.gz VMMPECQFFKJMDR-QWRGUYRKSA-N -1 3 297.782 3.034 20 0 CGADHM Cc1cc(CNCc2ccccc2CC(=O)[O-])ccc1F ZINC000426691914 533709628 /nfs/dbraw/zinc/70/96/28/533709628.db2.gz MPONERRTHJNDAA-UHFFFAOYSA-N -1 3 287.334 3.051 20 0 CGADHM [O-]c1cccnc1CN[C@@H](c1ccccc1)c1ccccn1 ZINC000580498491 330351017 /nfs/dbraw/zinc/35/10/17/330351017.db2.gz SBHBKJXEPIBBBO-SFHVURJKSA-N -1 3 291.354 3.061 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])C1(c2ccccc2)CC1 ZINC000174881183 335168338 /nfs/dbraw/zinc/16/83/38/335168338.db2.gz SBHZGXNJZKPNGE-UHFFFAOYSA-N -1 3 271.291 3.202 20 0 CGADHM COc1ncccc1C(=O)[N-]c1c(F)cc(Cl)cc1F ZINC000180360756 335575799 /nfs/dbraw/zinc/57/57/99/335575799.db2.gz COYICOQEXJKYET-UHFFFAOYSA-N -1 3 298.676 3.274 20 0 CGADHM O=C([O-])C1CCN(CCCc2ccccc2Cl)CC1 ZINC000579961423 335938024 /nfs/dbraw/zinc/93/80/24/335938024.db2.gz IIFRYMZOOJWAIK-UHFFFAOYSA-N -1 3 281.783 3.069 20 0 CGADHM CCCN(Cc1cccc(C(=O)[O-])c1Cl)C1CC1 ZINC000381798223 336073282 /nfs/dbraw/zinc/07/32/82/336073282.db2.gz BSWIDWWXXFXQQW-UHFFFAOYSA-N -1 3 267.756 3.413 20 0 CGADHM COc1cc(C(=O)NC(C)(C)CC(C)(C)C)ccc1[O-] ZINC000082265755 522100744 /nfs/dbraw/zinc/10/07/44/522100744.db2.gz SVJDZCKDMFTUTE-UHFFFAOYSA-N -1 3 279.380 3.345 20 0 CGADHM C[C@@H](OCCCNC(=O)c1ccccc1[O-])c1ccccc1 ZINC000436724887 533881190 /nfs/dbraw/zinc/88/11/90/533881190.db2.gz VLRZKAQHHLFJHI-CQSZACIVSA-N -1 3 299.370 3.290 20 0 CGADHM COc1ccc([O-])c(C(=O)N2Cc3ccccc3[C@H]2C)c1 ZINC000354798184 534196709 /nfs/dbraw/zinc/19/67/09/534196709.db2.gz SYUUMLGSXPNXAZ-LLVKDONJSA-N -1 3 283.327 3.118 20 0 CGADHM O=C(Nc1ccccc1O)c1ccc2c(c1[O-])CCCC2 ZINC000436958352 534397982 /nfs/dbraw/zinc/39/79/82/534397982.db2.gz GXOXKMGJWLNAGD-UHFFFAOYSA-N -1 3 283.327 3.229 20 0 CGADHM CC(C)N(C)C(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000093928250 519604606 /nfs/dbraw/zinc/60/46/06/519604606.db2.gz ZRLWKWIBDIVDFL-UHFFFAOYSA-N -1 3 299.370 3.452 20 0 CGADHM [O-]c1ccc(-c2noc(C3=Cc4ccccc4OC3)n2)cc1 ZINC000436769881 534451261 /nfs/dbraw/zinc/45/12/61/534451261.db2.gz OXUXOPFEDNYFPZ-UHFFFAOYSA-N -1 3 292.294 3.375 20 0 CGADHM [O-]c1ccc(-c2noc(CCc3ccsc3)n2)cc1 ZINC000436769393 534451893 /nfs/dbraw/zinc/45/18/93/534451893.db2.gz NJAPTSQORUQZOK-UHFFFAOYSA-N -1 3 272.329 3.289 20 0 CGADHM [O-]c1ccc(-c2noc(/C=C\c3cncs3)n2)cc1 ZINC000436871682 534452564 /nfs/dbraw/zinc/45/25/64/534452564.db2.gz RPWGPUWGYAFOFL-WAYWQWQTSA-N -1 3 271.301 3.069 20 0 CGADHM CCO[N-]C(=O)Nc1ccc(SC(F)F)cc1 ZINC000183859905 520238678 /nfs/dbraw/zinc/23/86/78/520238678.db2.gz FGDNMDWIKGCNLN-UHFFFAOYSA-N -1 3 262.281 3.074 20 0 CGADHM Cc1nc(NC(=O)c2ccc(C)c(C)c2[O-])cs1 ZINC000436890147 534483611 /nfs/dbraw/zinc/48/36/11/534483611.db2.gz CIHUVCUEMSWITN-UHFFFAOYSA-N -1 3 262.334 3.026 20 0 CGADHM CC1(C)CCC[C@H]1NC(=O)Cc1ccc([O-])cc1Cl ZINC000156927577 520360260 /nfs/dbraw/zinc/36/02/60/520360260.db2.gz RSWFTJNHTXGJJU-CYBMUJFWSA-N -1 3 281.783 3.283 20 0 CGADHM O=C([O-])[C@@H](NCc1cccc(Cl)c1)c1ccc(F)cc1 ZINC000426777418 534515402 /nfs/dbraw/zinc/51/54/02/534515402.db2.gz NEQCWUPCOFXHAN-AWEZNQCLSA-N -1 3 293.725 3.395 20 0 CGADHM O=C([O-])[C@@H](NCc1cccc2[nH]ccc21)c1ccccc1F ZINC000426766789 534515415 /nfs/dbraw/zinc/51/54/15/534515415.db2.gz GXWFIJATGCWZCY-INIZCTEOSA-N -1 3 298.317 3.223 20 0 CGADHM CCC(C)(C)NC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000277538639 521349529 /nfs/dbraw/zinc/34/95/29/521349529.db2.gz VGCSLCHZTUETES-UHFFFAOYSA-N -1 3 290.338 3.306 20 0 CGADHM Cc1cccc(C(=O)N(C(C)C)C2CCCC2)c1[O-] ZINC000436566705 534583355 /nfs/dbraw/zinc/58/33/55/534583355.db2.gz XSORUVRQWLCRTH-UHFFFAOYSA-N -1 3 261.365 3.494 20 0 CGADHM Cc1cccc(C(=O)NC[C@@H](C)c2ccc(F)cc2)c1[O-] ZINC000436723974 534606049 /nfs/dbraw/zinc/60/60/49/534606049.db2.gz WTGUPWZPQOEOJQ-GFCCVEGCSA-N -1 3 287.334 3.373 20 0 CGADHM O=C(NC[C@H]1CCCCC(F)(F)C1)c1ccccc1[O-] ZINC000436802110 534638371 /nfs/dbraw/zinc/63/83/71/534638371.db2.gz GUCXNPWJRCYDIF-NSHDSACASA-N -1 3 283.318 3.338 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)N1CCC[C@H]1C1CCCC1 ZINC000448765329 534699554 /nfs/dbraw/zinc/69/95/54/534699554.db2.gz PQHUBPJUFYHODZ-HNNXBMFYSA-N -1 3 291.366 3.255 20 0 CGADHM O=C(N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)c1ccc(O)cc1[O-] ZINC000436764464 534763659 /nfs/dbraw/zinc/76/36/59/534763659.db2.gz QYVICIIORHIOHT-RWMBFGLXSA-N -1 3 289.375 3.187 20 0 CGADHM Cc1csc(-c2noc(-c3ccc(C)cc3[O-])n2)n1 ZINC000436924782 534765009 /nfs/dbraw/zinc/76/50/09/534765009.db2.gz HUHJKMIXYVWFAL-UHFFFAOYSA-N -1 3 273.317 3.183 20 0 CGADHM COc1cccc(C(=O)N(CC(C)C)C2CCCC2)c1[O-] ZINC000083946022 525789964 /nfs/dbraw/zinc/78/99/64/525789964.db2.gz URLWWYAIXAEYDS-UHFFFAOYSA-N -1 3 291.391 3.442 20 0 CGADHM CC(=O)c1ccc(C(=O)NC2C[C@@H](C)C[C@H](C)C2)cc1[O-] ZINC000412126425 527250943 /nfs/dbraw/zinc/25/09/43/527250943.db2.gz PNROWBLJIFRHMS-QWRGUYRKSA-N -1 3 289.375 3.149 20 0 CGADHM CC(C)(C(=O)Nc1cccc(-c2nnn[n-]2)c1)C1CCCC1 ZINC000156481804 527538036 /nfs/dbraw/zinc/53/80/36/527538036.db2.gz NCAYVESVERDGTI-UHFFFAOYSA-N -1 3 299.378 3.022 20 0 CGADHM CC(C)(C(=O)Nc1cccc(-c2nn[n-]n2)c1)C1CCCC1 ZINC000156481804 527538043 /nfs/dbraw/zinc/53/80/43/527538043.db2.gz NCAYVESVERDGTI-UHFFFAOYSA-N -1 3 299.378 3.022 20 0 CGADHM CC(C)c1ccc(C(=O)NC[C@@H]2CCCSC2)c([O-])c1 ZINC000436741642 528071660 /nfs/dbraw/zinc/07/16/60/528071660.db2.gz UNSCPLUNTWAAAK-LBPRGKRZSA-N -1 3 293.432 3.389 20 0 CGADHM CC(C)Oc1cccc(-c2nc(-c3ccc([O-])cc3)no2)n1 ZINC000436747516 528212605 /nfs/dbraw/zinc/21/26/05/528212605.db2.gz NDJIGGCGGICETD-UHFFFAOYSA-N -1 3 297.314 3.291 20 0 CGADHM CCCN[C@@H](C)C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000423716327 528544725 /nfs/dbraw/zinc/54/47/25/528544725.db2.gz WSSCJMDKRFVOPJ-ZETCQYMHSA-N -1 3 291.178 3.026 20 0 CGADHM CCCn1nccc1NC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436530920 528896506 /nfs/dbraw/zinc/89/65/06/528896506.db2.gz CBDKPNJSWAAVIS-UHFFFAOYSA-N -1 3 299.374 3.130 20 0 CGADHM CCCC[C@H](CC)C(=O)NCc1ccc([O-])c(F)c1 ZINC000427960551 528900989 /nfs/dbraw/zinc/90/09/89/528900989.db2.gz VAWSGVUFRJWGKV-LBPRGKRZSA-N -1 3 267.344 3.364 20 0 CGADHM CCN(C(=O)c1cc(C)ccc1[O-])c1cccc(OC)c1 ZINC000436760821 529070101 /nfs/dbraw/zinc/07/01/01/529070101.db2.gz FSXPAJNIMXELAO-UHFFFAOYSA-N -1 3 285.343 3.376 20 0 CGADHM CC[C@H](C)c1ncc(NC(=O)c2ccc(C)cc2[O-])cn1 ZINC000436922722 529281224 /nfs/dbraw/zinc/28/12/24/529281224.db2.gz ZVSCTDGKMBKKJB-NSHDSACASA-N -1 3 285.347 3.256 20 0 CGADHM CC[C@H](CC(F)(F)F)NC(=O)c1ccc(C)c(C)c1[O-] ZINC000436983668 529316127 /nfs/dbraw/zinc/31/61/27/529316127.db2.gz XLFGDHZEUJDGNW-SNVBAGLBSA-N -1 3 289.297 3.470 20 0 CGADHM CC[C@H](CNCc1csc(C(C)(C)C)n1)CC(=O)[O-] ZINC000426650298 529362405 /nfs/dbraw/zinc/36/24/05/529362405.db2.gz BBRUNINXYPMYSF-JTQLQIEISA-N -1 3 284.425 3.031 20 0 CGADHM CC(C)[C@H]1CCC[C@@H](NC(=O)c2cccc([O-])c2)C1 ZINC000509301418 535184336 /nfs/dbraw/zinc/18/43/36/535184336.db2.gz QBNUYVHOSXZMPM-GXTWGEPZSA-N -1 3 261.365 3.337 20 0 CGADHM CC[C@@H](C)CC(=O)N=c1cc(-c2ccccc2C)[n-][nH]1 ZINC000480624276 535471179 /nfs/dbraw/zinc/47/11/79/535471179.db2.gz JVWDXEHJOONTEC-LLVKDONJSA-N -1 3 271.364 3.182 20 0 CGADHM CC[C@]1(C(C)C)C[C@H]1NC(=O)NCc1ccc([O-])c(F)c1 ZINC000455627349 535895068 /nfs/dbraw/zinc/89/50/68/535895068.db2.gz PMBAAZDLHGAZEW-GDBMZVCRSA-N -1 3 294.370 3.155 20 0 CGADHM CCc1cc(C(=O)N2CC(C)(C)[C@H]2C(C)C)ccc1[O-] ZINC000480474703 536103462 /nfs/dbraw/zinc/10/34/62/536103462.db2.gz BSFRWBFKSYNKAY-OAHLLOKOSA-N -1 3 275.392 3.461 20 0 CGADHM CCc1cc(C(=O)Nc2ccc(C)c(O)c2)ccc1[O-] ZINC000486650352 536133770 /nfs/dbraw/zinc/13/37/70/536133770.db2.gz YANZVDUZQJKQEG-UHFFFAOYSA-N -1 3 271.316 3.221 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CC[C@H](C)C[C@H](C)C2)c1 ZINC000506237598 536190715 /nfs/dbraw/zinc/19/07/15/536190715.db2.gz FOOMBFBZSTUWBV-STQMWFEESA-N -1 3 275.392 3.463 20 0 CGADHM C[C@@H]1C[C@@H](C)N1C(=O)c1cc([O-])c2ccccc2c1 ZINC000336344881 571802810 /nfs/dbraw/zinc/80/28/10/571802810.db2.gz ROFKTZVJNYPHAY-GHMZBOCLSA-N -1 3 255.317 3.168 20 0 CGADHM O=C([N-]OCc1ccccc1F)c1c(F)cccc1Cl ZINC000728912280 571847363 /nfs/dbraw/zinc/84/73/63/571847363.db2.gz VIRBBFDPGJCKJZ-UHFFFAOYSA-N -1 3 297.688 3.480 20 0 CGADHM Cc1ccccc1[C@H](C)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000737421876 572341197 /nfs/dbraw/zinc/34/11/97/572341197.db2.gz NIGHWTHRJCATEQ-NSHDSACASA-N -1 3 297.337 3.487 20 0 CGADHM Cc1ccccc1[C@H](C)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000737421876 572341202 /nfs/dbraw/zinc/34/12/02/572341202.db2.gz NIGHWTHRJCATEQ-NSHDSACASA-N -1 3 297.337 3.487 20 0 CGADHM C[C@@H](NC(=O)c1cc([O-])c2ccccc2c1)C1CC1 ZINC000280089062 572343941 /nfs/dbraw/zinc/34/39/41/572343941.db2.gz WJMIKXSWHNQWBH-SNVBAGLBSA-N -1 3 255.317 3.074 20 0 CGADHM C[C@@H](NC(=O)[O-])C1CCN(Cc2cccc(Cl)c2)CC1 ZINC000739015252 572397520 /nfs/dbraw/zinc/39/75/20/572397520.db2.gz MWLFZYFIDLRNNP-LLVKDONJSA-N -1 3 296.798 3.208 20 0 CGADHM O=C([O-])N1CCC[C@H](CN2CCCC[C@H]2c2ccco2)C1 ZINC000740512570 572443346 /nfs/dbraw/zinc/44/33/46/572443346.db2.gz QBQAEFDDFNAUET-KGLIPLIRSA-N -1 3 292.379 3.197 20 0 CGADHM C[C@@H](c1ccccc1Cl)N1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000739058735 572456760 /nfs/dbraw/zinc/45/67/60/572456760.db2.gz MXYJCQRUCJMMFY-RYUDHWBXSA-N -1 3 296.798 3.333 20 0 CGADHM C[C@H](c1ccccc1Cl)N1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000739058739 572456875 /nfs/dbraw/zinc/45/68/75/572456875.db2.gz MXYJCQRUCJMMFY-VXGBXAGGSA-N -1 3 296.798 3.333 20 0 CGADHM C[C@@H](OC(=O)c1cncc([O-])c1)c1cccc(Cl)c1 ZINC000732393167 572461883 /nfs/dbraw/zinc/46/18/83/572461883.db2.gz NATUXXNTZVSOSS-SECBINFHSA-N -1 3 277.707 3.359 20 0 CGADHM O=c1ccnc(C=Cc2cc(Br)ccc2F)[n-]1 ZINC000742221096 572559229 /nfs/dbraw/zinc/55/92/29/572559229.db2.gz YFHCALXWURGLLG-RJRFIUFISA-N -1 3 295.111 3.254 20 0 CGADHM Cc1ccc(C(=O)Nc2ccc(Cl)nc2)c([O-])c1C ZINC000733804326 572606145 /nfs/dbraw/zinc/60/61/45/572606145.db2.gz BYOPJYAKCJEHPN-UHFFFAOYSA-N -1 3 276.723 3.310 20 0 CGADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)CC3CCC3)c2)n1 ZINC000744219039 572725738 /nfs/dbraw/zinc/72/57/38/572725738.db2.gz YOFBULMOKVEEGQ-UHFFFAOYSA-N -1 3 298.342 3.253 20 0 CGADHM CC1CCC(N(C)c2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000736241465 572774551 /nfs/dbraw/zinc/77/45/51/572774551.db2.gz ODJLHJWAIONTIR-UHFFFAOYSA-N -1 3 289.358 3.021 20 0 CGADHM CC1CCC(N(C)c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000736241465 572774555 /nfs/dbraw/zinc/77/45/55/572774555.db2.gz ODJLHJWAIONTIR-UHFFFAOYSA-N -1 3 289.358 3.021 20 0 CGADHM CCC1(C)CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000736394844 572786612 /nfs/dbraw/zinc/78/66/12/572786612.db2.gz FZYNOFDBBRYGOT-UHFFFAOYSA-N -1 3 289.358 3.022 20 0 CGADHM CCC1(C)CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000736394844 572786614 /nfs/dbraw/zinc/78/66/14/572786614.db2.gz FZYNOFDBBRYGOT-UHFFFAOYSA-N -1 3 289.358 3.022 20 0 CGADHM CCC[C@@H](C)Nc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000736422029 572789259 /nfs/dbraw/zinc/78/92/59/572789259.db2.gz FFVOUIRYFOLLEZ-SNVBAGLBSA-N -1 3 282.351 3.015 20 0 CGADHM CCC[C@@H](C)Nc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000736422029 572789263 /nfs/dbraw/zinc/78/92/63/572789263.db2.gz FFVOUIRYFOLLEZ-SNVBAGLBSA-N -1 3 282.351 3.015 20 0 CGADHM CCC[C@@H]1CCCC[C@@H]1Nc1ccc(-c2nnn[n-]2)cn1 ZINC000736435783 572791280 /nfs/dbraw/zinc/79/12/80/572791280.db2.gz OAEOPEMEMDDWFA-YPMHNXCESA-N -1 3 286.383 3.033 20 0 CGADHM CCC[C@@H]1CCCC[C@@H]1Nc1ccc(-c2nn[n-]n2)cn1 ZINC000736435783 572791282 /nfs/dbraw/zinc/79/12/82/572791282.db2.gz OAEOPEMEMDDWFA-YPMHNXCESA-N -1 3 286.383 3.033 20 0 CGADHM CCCCC[C@H](C)Nc1cccc(F)c1-c1nnn[n-]1 ZINC000736440955 572792204 /nfs/dbraw/zinc/79/22/04/572792204.db2.gz JZVLGTZVNQWPDE-JTQLQIEISA-N -1 3 277.347 3.387 20 0 CGADHM CCCCC[C@H](C)Nc1cccc(F)c1-c1nn[n-]n1 ZINC000736440955 572792211 /nfs/dbraw/zinc/79/22/11/572792211.db2.gz JZVLGTZVNQWPDE-JTQLQIEISA-N -1 3 277.347 3.387 20 0 CGADHM CCCC[C@H]1CCC[C@@H]1Nc1ncccc1-c1nnn[n-]1 ZINC000736441513 572792541 /nfs/dbraw/zinc/79/25/41/572792541.db2.gz RGVLKSMSKSRNOS-AAEUAGOBSA-N -1 3 286.383 3.033 20 0 CGADHM CCCC[C@H]1CCC[C@@H]1Nc1ncccc1-c1nn[n-]n1 ZINC000736441513 572792547 /nfs/dbraw/zinc/79/25/47/572792547.db2.gz RGVLKSMSKSRNOS-AAEUAGOBSA-N -1 3 286.383 3.033 20 0 CGADHM CC[C@@H](Nc1cccc2c1CN([C@@H](C)C(C)C)C2)C(=O)[O-] ZINC000736926161 572826066 /nfs/dbraw/zinc/82/60/66/572826066.db2.gz ZSNPDBYJFWEYOU-SWLSCSKDSA-N -1 3 290.407 3.322 20 0 CGADHM C[C@@H]1CN(C(=O)c2cc([O-])c3ccccc3c2)[C@@H](C)[C@H](C)O1 ZINC000356011029 572841654 /nfs/dbraw/zinc/84/16/54/572841654.db2.gz PTPHPFKZXJEHBL-AGIUHOORSA-N -1 3 299.370 3.183 20 0 CGADHM Cc1cc(-c2nnn[n-]2)cc(C)c1OCc1ccccc1F ZINC000737222436 572865960 /nfs/dbraw/zinc/86/59/60/572865960.db2.gz ZJNIFANLTCRINN-UHFFFAOYSA-N -1 3 298.321 3.202 20 0 CGADHM Cc1cc(-c2nn[n-]n2)cc(C)c1OCc1ccccc1F ZINC000737222436 572865964 /nfs/dbraw/zinc/86/59/64/572865964.db2.gz ZJNIFANLTCRINN-UHFFFAOYSA-N -1 3 298.321 3.202 20 0 CGADHM Cc1ccc([O-])c(CNc2ccc(OCC(F)F)cc2)n1 ZINC000748237662 572969648 /nfs/dbraw/zinc/96/96/48/572969648.db2.gz DNHJOKSQBKLJDK-UHFFFAOYSA-N -1 3 294.301 3.352 20 0 CGADHM COc1ccc(COC(=O)c2ccc(F)cc2[O-])cc1F ZINC000750166707 573096996 /nfs/dbraw/zinc/09/69/96/573096996.db2.gz STAPSXLVGHTFEH-UHFFFAOYSA-N -1 3 294.253 3.036 20 0 CGADHM CC(C)CON=C([O-])N1CC(C)(C)c2ccccc21 ZINC000750461560 573131288 /nfs/dbraw/zinc/13/12/88/573131288.db2.gz SIKMGKSSITVCCZ-UHFFFAOYSA-N -1 3 262.353 3.081 20 0 CGADHM CC(C)CO[N-]C(=O)N1CC(C)(C)c2ccccc21 ZINC000750461560 573131289 /nfs/dbraw/zinc/13/12/89/573131289.db2.gz SIKMGKSSITVCCZ-UHFFFAOYSA-N -1 3 262.353 3.081 20 0 CGADHM C[C@@H](SCC1CCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820550761 599224975 /nfs/dbraw/zinc/22/49/75/599224975.db2.gz YOVDEZRDYBOHAY-SNVBAGLBSA-N -1 3 274.393 3.461 20 0 CGADHM C[C@@H](SCC1CCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820550761 599224976 /nfs/dbraw/zinc/22/49/76/599224976.db2.gz YOVDEZRDYBOHAY-SNVBAGLBSA-N -1 3 274.393 3.461 20 0 CGADHM C[C@H]1CCN(c2ccc(-c3nn[n-]n3)c(Cl)c2)C[C@H]1C ZINC000824961752 608302540 /nfs/dbraw/zinc/30/25/40/608302540.db2.gz HTDNDNNXGHOYFP-VHSXEESVSA-N -1 3 291.786 3.002 20 0 CGADHM O=C([O-])c1ccc(CNCc2cnc3ccccc3c2)cc1 ZINC000819683738 597137566 /nfs/dbraw/zinc/13/75/66/597137566.db2.gz STWJFPFWCKQFGE-UHFFFAOYSA-N -1 3 292.338 3.223 20 0 CGADHM Cc1ccc(C)c(COc2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC000737323779 598548277 /nfs/dbraw/zinc/54/82/77/598548277.db2.gz XACKSSHQWAEZPH-UHFFFAOYSA-N -1 3 298.321 3.202 20 0 CGADHM Cc1ccc(C)c(COc2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC000737323779 598548279 /nfs/dbraw/zinc/54/82/79/598548279.db2.gz XACKSSHQWAEZPH-UHFFFAOYSA-N -1 3 298.321 3.202 20 0 CGADHM Clc1cccc(-c2nnn[n-]2)c1NCc1cccs1 ZINC000737573260 598629205 /nfs/dbraw/zinc/62/92/05/598629205.db2.gz DRYSWAKYBOOXGW-UHFFFAOYSA-N -1 3 291.767 3.194 20 0 CGADHM Clc1cccc(-c2nn[n-]n2)c1NCc1cccs1 ZINC000737573260 598629207 /nfs/dbraw/zinc/62/92/07/598629207.db2.gz DRYSWAKYBOOXGW-UHFFFAOYSA-N -1 3 291.767 3.194 20 0 CGADHM c1csc(CCSc2ccccc2-c2nnn[n-]2)c1 ZINC000823816735 599346006 /nfs/dbraw/zinc/34/60/06/599346006.db2.gz WYGASYSBXQEEFP-UHFFFAOYSA-N -1 3 288.401 3.263 20 0 CGADHM c1csc(CCSc2ccccc2-c2nn[n-]n2)c1 ZINC000823816735 599346007 /nfs/dbraw/zinc/34/60/07/599346007.db2.gz WYGASYSBXQEEFP-UHFFFAOYSA-N -1 3 288.401 3.263 20 0 CGADHM c1cc(-c2nnn[n-]2)cc(SCCCC2CCCC2)n1 ZINC000823743052 599697818 /nfs/dbraw/zinc/69/78/18/599697818.db2.gz RKONHGOCFDMCNV-UHFFFAOYSA-N -1 3 289.408 3.324 20 0 CGADHM c1cc(-c2nn[n-]n2)cc(SCCCC2CCCC2)n1 ZINC000823743052 599697819 /nfs/dbraw/zinc/69/78/19/599697819.db2.gz RKONHGOCFDMCNV-UHFFFAOYSA-N -1 3 289.408 3.324 20 0 CGADHM CCC[C@](C)(NCc1c(F)cccc1Cl)C(=O)[O-] ZINC000036809000 600151459 /nfs/dbraw/zinc/15/14/59/600151459.db2.gz LIQGVYIEXFZTMR-ZDUSSCGKSA-N -1 3 273.735 3.212 20 0 CGADHM C[C@]1(c2ccccc2)C[C@H]1N[C@H](C(=O)[O-])c1ccccc1F ZINC000828123663 600755210 /nfs/dbraw/zinc/75/52/10/600755210.db2.gz WZWQTYXSZQZPKN-SOLBZPMBSA-N -1 3 299.345 3.271 20 0 CGADHM C[C@H](c1ccc2ccccc2c1)N1CC[C@](F)(C(=O)[O-])C1 ZINC000827943096 601435710 /nfs/dbraw/zinc/43/57/10/601435710.db2.gz XKLZONYBTKIWLD-SJKOYZFVSA-N -1 3 287.334 3.399 20 0 CGADHM O=C([O-])[C@H]1c2ccccc2CCN1Cc1ccc(F)cc1 ZINC000043594048 601541101 /nfs/dbraw/zinc/54/11/01/601541101.db2.gz CANFLLFTBWWIAC-MRXNPFEDSA-N -1 3 285.318 3.010 20 0 CGADHM Cn1cccc1[C@H]1CCCN1Cc1ccsc1C(=O)[O-] ZINC000833059675 601804519 /nfs/dbraw/zinc/80/45/19/601804519.db2.gz VAMZJAODFXBQFD-CYBMUJFWSA-N -1 3 290.388 3.122 20 0 CGADHM CC(C)(NCc1c[nH]c(C(=O)[O-])c1)c1ccc(F)c(F)c1 ZINC000826630880 601835269 /nfs/dbraw/zinc/83/52/69/601835269.db2.gz YDHSLTTUJUEULW-UHFFFAOYSA-N -1 3 294.301 3.016 20 0 CGADHM Cc1[n-]n(-c2ccc(F)c(F)c2F)c(=O)c1C(C)C ZINC000899348827 620653489 /nfs/dbraw/zinc/65/34/89/620653489.db2.gz MBOPNRHWAKTHRF-JTQLQIEISA-N -1 3 270.254 3.099 20 0 CGADHM C[C@H](CSc1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC000824448517 607657801 /nfs/dbraw/zinc/65/78/01/607657801.db2.gz IWBORAUODJCUMH-SSDOTTSWSA-N -1 3 288.298 3.157 20 0 CGADHM C[C@H](CSc1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC000824448517 607657802 /nfs/dbraw/zinc/65/78/02/607657802.db2.gz IWBORAUODJCUMH-SSDOTTSWSA-N -1 3 288.298 3.157 20 0 CGADHM Cc1ccc(-c2nnn[n-]2)cc1NCCCCC(F)(F)F ZINC000826278668 607685880 /nfs/dbraw/zinc/68/58/80/607685880.db2.gz NQMSPJINOJPHPA-UHFFFAOYSA-N -1 3 299.300 3.320 20 0 CGADHM Cc1ccc(-c2nn[n-]n2)cc1NCCCCC(F)(F)F ZINC000826278668 607685882 /nfs/dbraw/zinc/68/58/82/607685882.db2.gz NQMSPJINOJPHPA-UHFFFAOYSA-N -1 3 299.300 3.320 20 0 CGADHM Cc1[n-]n(C2CCC(F)(F)CC2)c(=O)c1C(C)C ZINC000899366919 620675601 /nfs/dbraw/zinc/67/56/01/620675601.db2.gz SBFIOYCGTUEBRX-LLVKDONJSA-N -1 3 258.312 3.055 20 0 CGADHM C[C@@H]1C[C@@H]1c1ccc(CN2CCC3(C[C@H]3C(=O)[O-])CC2)o1 ZINC000405402416 604649418 /nfs/dbraw/zinc/64/94/18/604649418.db2.gz SBPANRNXQAIYCF-XBFCOCLRSA-N -1 3 289.375 3.090 20 0 CGADHM CC1(C)c2ccccc2CCN1Cc1ccoc1C(=O)[O-] ZINC000833564903 605020997 /nfs/dbraw/zinc/02/09/97/605020997.db2.gz XKSYXSJSQNMHKD-UHFFFAOYSA-N -1 3 285.343 3.271 20 0 CGADHM CC(C)N(Cc1ccc(C(=O)[O-])[nH]1)Cc1ccccc1 ZINC000833497505 605099037 /nfs/dbraw/zinc/09/90/37/605099037.db2.gz DIHJLDAYPHEZPD-UHFFFAOYSA-N -1 3 272.348 3.124 20 0 CGADHM CC[C@H](N[C@@H](C)C[C@H]1CCCN1C(=O)[O-])c1nccs1 ZINC000826612695 605506720 /nfs/dbraw/zinc/50/67/20/605506720.db2.gz ALGHOGABPSWKJN-TUAOUCFPSA-N -1 3 297.424 3.105 20 0 CGADHM O=C([O-])Nc1cccc(CN2CC[C@H](C(F)(F)F)C2)c1 ZINC000834269531 605620564 /nfs/dbraw/zinc/62/05/64/605620564.db2.gz XMCWURVNNQBHST-JTQLQIEISA-N -1 3 288.269 3.161 20 0 CGADHM Cc1ccc(-c2nnn[n-]2)cc1NCc1cccc(Cl)c1 ZINC000822221535 606454470 /nfs/dbraw/zinc/45/44/70/606454470.db2.gz STIWFGBKATUBCN-UHFFFAOYSA-N -1 3 299.765 3.441 20 0 CGADHM Cc1ccc(-c2nn[n-]n2)cc1NCc1cccc(Cl)c1 ZINC000822221535 606454472 /nfs/dbraw/zinc/45/44/72/606454472.db2.gz STIWFGBKATUBCN-UHFFFAOYSA-N -1 3 299.765 3.441 20 0 CGADHM Clc1ccc(-c2nnn[n-]2)c(O[C@H]2C=CCCC2)c1 ZINC000822568690 606787479 /nfs/dbraw/zinc/78/74/79/606787479.db2.gz WIGNUWQTKVOYLN-JTQLQIEISA-N -1 3 276.727 3.008 20 0 CGADHM Clc1ccc(-c2nn[n-]n2)c(O[C@H]2C=CCCC2)c1 ZINC000822568690 606787480 /nfs/dbraw/zinc/78/74/80/606787480.db2.gz WIGNUWQTKVOYLN-JTQLQIEISA-N -1 3 276.727 3.008 20 0 CGADHM CCCCSCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000821077591 606840678 /nfs/dbraw/zinc/84/06/78/606840678.db2.gz MQPDIDOOBVSRAM-UHFFFAOYSA-N -1 3 292.408 3.169 20 0 CGADHM CCCCSCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000821077591 606840679 /nfs/dbraw/zinc/84/06/79/606840679.db2.gz MQPDIDOOBVSRAM-UHFFFAOYSA-N -1 3 292.408 3.169 20 0 CGADHM CC[C@]1(C)CCN(c2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000820958247 606948948 /nfs/dbraw/zinc/94/89/48/606948948.db2.gz TWHILQMESAFVQZ-CQSZACIVSA-N -1 3 291.786 3.147 20 0 CGADHM CC[C@]1(C)CCN(c2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000820958247 606948950 /nfs/dbraw/zinc/94/89/50/606948950.db2.gz TWHILQMESAFVQZ-CQSZACIVSA-N -1 3 291.786 3.147 20 0 CGADHM CC[C@@]1(C)CCN(c2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000820958243 606949282 /nfs/dbraw/zinc/94/92/82/606949282.db2.gz TWHILQMESAFVQZ-AWEZNQCLSA-N -1 3 291.786 3.147 20 0 CGADHM CC[C@@]1(C)CCN(c2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000820958243 606949283 /nfs/dbraw/zinc/94/92/83/606949283.db2.gz TWHILQMESAFVQZ-AWEZNQCLSA-N -1 3 291.786 3.147 20 0 CGADHM Cc1cccc(C)c1COc1ccc(-c2nnn[n-]2)cc1F ZINC000822293885 607138392 /nfs/dbraw/zinc/13/83/92/607138392.db2.gz QFJBKMNORVWMTB-UHFFFAOYSA-N -1 3 298.321 3.202 20 0 CGADHM Cc1cccc(C)c1COc1ccc(-c2nn[n-]n2)cc1F ZINC000822293885 607138394 /nfs/dbraw/zinc/13/83/94/607138394.db2.gz QFJBKMNORVWMTB-UHFFFAOYSA-N -1 3 298.321 3.202 20 0 CGADHM C[C@H]1CCN(c2ccc(-c3nnn[n-]3)c(Cl)c2)C[C@H]1C ZINC000824961752 608302538 /nfs/dbraw/zinc/30/25/38/608302538.db2.gz HTDNDNNXGHOYFP-VHSXEESVSA-N -1 3 291.786 3.002 20 0 CGADHM C[C@H]1CN(c2ccc(-c3nnn[n-]3)c(Cl)c2)CC[C@@H]1C ZINC000824961751 608302787 /nfs/dbraw/zinc/30/27/87/608302787.db2.gz HTDNDNNXGHOYFP-UWVGGRQHSA-N -1 3 291.786 3.002 20 0 CGADHM C[C@H]1CN(c2ccc(-c3nn[n-]n3)c(Cl)c2)CC[C@@H]1C ZINC000824961751 608302788 /nfs/dbraw/zinc/30/27/88/608302788.db2.gz HTDNDNNXGHOYFP-UWVGGRQHSA-N -1 3 291.786 3.002 20 0 CGADHM C[C@@H]1c2ccccc2CN1Cc1ccc(-c2nnn[n-]2)s1 ZINC000825028033 608709223 /nfs/dbraw/zinc/70/92/23/608709223.db2.gz DDEMSNBMBGCBSS-SNVBAGLBSA-N -1 3 297.387 3.005 20 0 CGADHM C[C@@H]1c2ccccc2CN1Cc1ccc(-c2nn[n-]n2)s1 ZINC000825028033 608709226 /nfs/dbraw/zinc/70/92/26/608709226.db2.gz DDEMSNBMBGCBSS-SNVBAGLBSA-N -1 3 297.387 3.005 20 0 CGADHM Cc1cc(N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)ccc1F ZINC000826270974 609251960 /nfs/dbraw/zinc/25/19/60/609251960.db2.gz WIAPAYAHJIGJJC-NSHDSACASA-N -1 3 297.337 3.487 20 0 CGADHM Cc1cc(N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)ccc1F ZINC000826270974 609251962 /nfs/dbraw/zinc/25/19/62/609251962.db2.gz WIAPAYAHJIGJJC-NSHDSACASA-N -1 3 297.337 3.487 20 0 CGADHM Cc1ccc(CNc2cc(-c3nnn[n-]3)ccc2C)s1 ZINC000095341998 609478063 /nfs/dbraw/zinc/47/80/63/609478063.db2.gz LEYSDRZUPUSGBL-UHFFFAOYSA-N -1 3 285.376 3.157 20 0 CGADHM Cc1ccc(CNc2cc(-c3nn[n-]n3)ccc2C)s1 ZINC000095341998 609478064 /nfs/dbraw/zinc/47/80/64/609478064.db2.gz LEYSDRZUPUSGBL-UHFFFAOYSA-N -1 3 285.376 3.157 20 0 CGADHM CC(=CC(=O)Nc1n[n-]c(-c2ccc(C)o2)n1)C(C)(C)C ZINC000160382514 618033346 /nfs/dbraw/zinc/03/33/46/618033346.db2.gz OOGLAXBLGRJKHM-HJWRWDBZSA-N -1 3 288.351 3.304 20 0 CGADHM Cc1ccc(CCC(=O)[N-]OCc2ccccc2)cc1 ZINC000070273877 617952436 /nfs/dbraw/zinc/95/24/36/617952436.db2.gz VSZHLZBTOJPCFN-UHFFFAOYSA-N -1 3 269.344 3.176 20 0 CGADHM Cc1cc([C@H]2CCCN2Cc2ccc([O-])c(F)c2)no1 ZINC000891648672 618243842 /nfs/dbraw/zinc/24/38/42/618243842.db2.gz RUGGXRBQRHXCNW-CQSZACIVSA-N -1 3 276.311 3.165 20 0 CGADHM O=C(Nc1ccc(O)cc1F)c1cc([O-])ccc1Cl ZINC000236568950 618869035 /nfs/dbraw/zinc/86/90/35/618869035.db2.gz KFMBNYLRNBGPPR-UHFFFAOYSA-N -1 3 281.670 3.143 20 0 CGADHM CC(C)c1ccc(CC[N-]C(=O)C(F)(F)F)cc1 ZINC000096761658 618872975 /nfs/dbraw/zinc/87/29/75/618872975.db2.gz SDUAOVWXDKNPFI-UHFFFAOYSA-N -1 3 259.271 3.031 20 0 CGADHM CCCCC1(NC(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC000893114259 618998196 /nfs/dbraw/zinc/99/81/96/618998196.db2.gz UDICLUCXHNAFPI-UHFFFAOYSA-N -1 3 280.343 3.053 20 0 CGADHM CC(C)CCCCCC(=O)N1CCCc2c(=O)[n-]cnc21 ZINC000893212995 619029943 /nfs/dbraw/zinc/02/99/43/619029943.db2.gz PRQFUALJBCTRIN-UHFFFAOYSA-N -1 3 291.395 3.068 20 0 CGADHM Cc1ccc(CC(=O)[N-]O[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000194628664 619141962 /nfs/dbraw/zinc/14/19/62/619141962.db2.gz VZMCVJWAVWZPTB-AWEZNQCLSA-N -1 3 294.354 3.218 20 0 CGADHM O=C(OCc1cc(F)cc2cccnc21)c1ccc([O-])cc1 ZINC000047690233 619432056 /nfs/dbraw/zinc/43/20/56/619432056.db2.gz DHBYSBWZWUTMEM-UHFFFAOYSA-N -1 3 297.285 3.437 20 0 CGADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@@H]1C[C@@H]2CCC[C@H]12 ZINC000889603003 619553832 /nfs/dbraw/zinc/55/38/32/619553832.db2.gz JHRCKFSTJSOBDC-KCQAQPDRSA-N -1 3 291.366 3.159 20 0 CGADHM C[C@@H]1[C@H](C(F)(F)F)CCN1Cc1cccc(C(=O)[O-])c1 ZINC000263405437 620316776 /nfs/dbraw/zinc/31/67/76/620316776.db2.gz JLZPJWYJMXYUPS-BXKDBHETSA-N -1 3 287.281 3.158 20 0 CGADHM CC(C)C[C@H](CNCc1c(F)cccc1Cl)C(=O)[O-] ZINC000263455068 620319821 /nfs/dbraw/zinc/31/98/21/620319821.db2.gz BUBUPMBVKVDUQD-SNVBAGLBSA-N -1 3 287.762 3.316 20 0 CGADHM Cc1ccc(C(=O)N2COCC[C@H]2c2ccccc2)c([O-])c1 ZINC000888189848 620332426 /nfs/dbraw/zinc/33/24/26/620332426.db2.gz ATEJEXLQFABDJZ-INIZCTEOSA-N -1 3 297.354 3.262 20 0 CGADHM Cc1cc(COC(=O)c2cc3sccc3c([O-])c2)on1 ZINC000786137865 620395213 /nfs/dbraw/zinc/39/52/13/620395213.db2.gz ONFWVKWVBYJXQP-UHFFFAOYSA-N -1 3 289.312 3.260 20 0 CGADHM CCCCC[C@@H](CC)C(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000898217867 620488771 /nfs/dbraw/zinc/48/87/71/620488771.db2.gz UGJCBSKADUFDHK-OLZOCXBDSA-N -1 3 293.411 3.038 20 0 CGADHM CCCCCC[C@H](CC)C(=O)NCc1nc(C)cc(=O)[n-]1 ZINC000898262546 620500845 /nfs/dbraw/zinc/50/08/45/620500845.db2.gz FVMUMOBTOZTDPQ-ZDUSSCGKSA-N -1 3 293.411 3.103 20 0 CGADHM COc1ccc(CO[N-]C(=O)CC(C)(C)C)cc1Cl ZINC000842061472 620575903 /nfs/dbraw/zinc/57/59/03/620575903.db2.gz LNJXLASCEFFLHC-UHFFFAOYSA-N -1 3 285.771 3.333 20 0 CGADHM Cc1cc(C)c(CC(=O)[N-]OCc2cccc(C)n2)c(C)c1 ZINC000898933076 620610103 /nfs/dbraw/zinc/61/01/03/620610103.db2.gz XTGNBONDGUKFRT-UHFFFAOYSA-N -1 3 298.386 3.106 20 0 CGADHM CSc1ccc(CN2CCC(CC(=O)[O-])CC2)s1 ZINC000901420432 620882308 /nfs/dbraw/zinc/88/23/08/620882308.db2.gz PWZKCPVECPLJJA-UHFFFAOYSA-N -1 3 285.434 3.157 20 0 CGADHM CCc1cccc(Cl)c1CN(CC)CCC(=O)[O-] ZINC000901605581 620951351 /nfs/dbraw/zinc/95/13/51/620951351.db2.gz VSIIPNVVHJWJOR-UHFFFAOYSA-N -1 3 269.772 3.199 20 0 CGADHM Cc1cc(CN[C@H](C(=O)[O-])c2ccc(F)c(C)c2)cs1 ZINC000901841352 621044181 /nfs/dbraw/zinc/04/41/81/621044181.db2.gz DLZRXSARQHJCMW-AWEZNQCLSA-N -1 3 293.363 3.420 20 0 CGADHM CC(C)C[C@H](C)CN[C@H](C)c1ncc(C(=O)[O-])s1 ZINC000901912168 621068006 /nfs/dbraw/zinc/06/80/06/621068006.db2.gz PULUQSKHGDWMSC-VHSXEESVSA-N -1 3 270.398 3.174 20 0 CGADHM CCc1oc(CNCCSC(C)(C)C)cc1C(=O)[O-] ZINC000902124866 621162861 /nfs/dbraw/zinc/16/28/61/621162861.db2.gz IZBAQBPOCDCNGA-UHFFFAOYSA-N -1 3 285.409 3.162 20 0 CGADHM O=C([O-])c1csc(CN[C@@H]2CCc3cc(F)ccc32)c1 ZINC000902173514 621184829 /nfs/dbraw/zinc/18/48/29/621184829.db2.gz UXCFZSVRIWKXNA-CQSZACIVSA-N -1 3 291.347 3.363 20 0 CGADHM CC(C)CCOC1CCN(Cc2ccoc2C(=O)[O-])CC1 ZINC000902194100 621190311 /nfs/dbraw/zinc/19/03/11/621190311.db2.gz XPWGLXLRXCDRRU-UHFFFAOYSA-N -1 3 295.379 3.005 20 0 CGADHM O=C([O-])/C=C\c1ccc(CN[C@@H]2C[C@H]2C2CCCCC2)o1 ZINC000902422445 621311908 /nfs/dbraw/zinc/31/19/08/621311908.db2.gz KZDJJSZZFIMRLY-LWULTOEVSA-N -1 3 289.375 3.436 20 0 CGADHM CCSCC[C@H](C)N(C)Cc1ccc(/C=C\C(=O)[O-])o1 ZINC000902524976 621362053 /nfs/dbraw/zinc/36/20/53/621362053.db2.gz WMAIMNLIAQXZKP-KRZKBDHCSA-N -1 3 297.420 3.341 20 0 CGADHM CN(CCC1(C(=O)[O-])CCC1)Cc1ccccc1Cl ZINC000903693120 621790275 /nfs/dbraw/zinc/79/02/75/621790275.db2.gz HJKLZQSUPNWOGN-UHFFFAOYSA-N -1 3 281.783 3.417 20 0 CGADHM CC(C)(/C=C\Cl)NCc1cccc(C(=O)[O-])c1 ZINC000903709121 621795348 /nfs/dbraw/zinc/79/53/48/621795348.db2.gz CBTHWIQVYUDRHD-SREVYHEPSA-N -1 3 253.729 3.006 20 0 CGADHM Cc1ccccc1[C@@H](C)N(C)Cc1cncc(C(=O)[O-])c1 ZINC000903886161 621826706 /nfs/dbraw/zinc/82/67/06/621826706.db2.gz AUIIPWBNXSXHJN-CYBMUJFWSA-N -1 3 284.359 3.281 20 0 CGADHM CC(C)CCN(C)Cc1occ(C(F)(F)F)c1C(=O)[O-] ZINC000903886915 621827916 /nfs/dbraw/zinc/82/79/16/621827916.db2.gz JWOCVJQJHWKPGC-UHFFFAOYSA-N -1 3 293.285 3.475 20 0 CGADHM CC[C@H](C)C[C@@H](N)c1nc(-c2ccc([O-])cc2F)no1 ZINC000904689152 621954064 /nfs/dbraw/zinc/95/40/64/621954064.db2.gz HFDYKKOKADRBCS-QPUJVOFHSA-N -1 3 279.315 3.017 20 0 CGADHM Cc1cc(C)cc([C@H](NCc2ccc(C)nc2C)C(=O)[O-])c1 ZINC000905390347 622065342 /nfs/dbraw/zinc/06/53/42/622065342.db2.gz HPTHNAWWKPSGTI-KRWDZBQOSA-N -1 3 298.386 3.231 20 0 CGADHM CC[C@@](C)(NCc1ccc(C(=O)[O-])cn1)c1ccccc1 ZINC000905723832 622100608 /nfs/dbraw/zinc/10/06/08/622100608.db2.gz HYFSFDFXRQIZPI-QGZVFWFLSA-N -1 3 284.359 3.195 20 0 CGADHM CCCCC1(NCc2cc(C(=O)[O-])c(CC)o2)CC1 ZINC000905789606 622110051 /nfs/dbraw/zinc/11/00/51/622110051.db2.gz KPXBSIBPJXPCNC-UHFFFAOYSA-N -1 3 265.353 3.353 20 0 CGADHM COc1cccc([O-])c1C(=O)N1CC[C@]2(CC[C@H](C)C2)C1 ZINC000907296993 622290674 /nfs/dbraw/zinc/29/06/74/622290674.db2.gz UIOXXDYXCZDVJC-SJCJKPOMSA-N -1 3 289.375 3.053 20 0 CGADHM CC(=O)c1cccc(NC(=O)/C(F)=C(/C)C2CC2)c1[O-] ZINC000908207004 622334712 /nfs/dbraw/zinc/33/47/12/622334712.db2.gz DPTUKNAGSJYQLD-MDWZMJQESA-N -1 3 277.295 3.187 20 0 CGADHM O=C([N-]OC/C=C/Cl)C1(C2CCCCC2)CC1 ZINC000908311119 622341134 /nfs/dbraw/zinc/34/11/34/622341134.db2.gz HCRPRAMDVANCCN-RUDMXATFSA-N -1 3 257.761 3.147 20 0 CGADHM CCC[C@H]1CCC[C@H]1C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000913356559 622762268 /nfs/dbraw/zinc/76/22/68/622762268.db2.gz ABYHMCQZXBTAGD-NWDGAFQWSA-N -1 3 299.378 3.022 20 0 CGADHM CCC[C@H]1CCC[C@H]1C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000913356559 622762274 /nfs/dbraw/zinc/76/22/74/622762274.db2.gz ABYHMCQZXBTAGD-NWDGAFQWSA-N -1 3 299.378 3.022 20 0 CGADHM C[C@H](OC(=O)c1ccc([O-])cc1)c1cccc(F)c1 ZINC000060786989 623069895 /nfs/dbraw/zinc/06/98/95/623069895.db2.gz DWQPAYVYJZSYRA-JTQLQIEISA-N -1 3 260.264 3.449 20 0 CGADHM COc1ccc(CCCC(=O)[N-]OCc2ccccc2)cc1 ZINC000061366697 623133055 /nfs/dbraw/zinc/13/30/55/623133055.db2.gz UJJLRBKIJOVCHK-UHFFFAOYSA-N -1 3 299.370 3.266 20 0 CGADHM O=C(OC/C=C/Cl)c1cccc(Br)c1[O-] ZINC000730366888 623639359 /nfs/dbraw/zinc/63/93/59/623639359.db2.gz XQWNASBHTFMREN-GORDUTHDSA-N -1 3 291.528 3.064 20 0 CGADHM C[C@@H]1C[C@@H](CC(=O)[N-]OCc2cccnc2)CC(C)(C)C1 ZINC000152447962 623662483 /nfs/dbraw/zinc/66/24/83/623662483.db2.gz AISFIRLVDWIFBH-HIFRSBDPSA-N -1 3 290.407 3.482 20 0 CGADHM Cc1ccc(C=Cc2nccc(=O)[n-]2)c(Br)c1 ZINC000152662552 623699952 /nfs/dbraw/zinc/69/99/52/623699952.db2.gz GVGNPVFBRKHVGG-SNAWJCMRSA-N -1 3 291.148 3.011 20 0 CGADHM CC[C@H](CC(=O)[N-]OCC(C)C)c1ccc(OC)cc1 ZINC000153503947 623910942 /nfs/dbraw/zinc/91/09/42/623910942.db2.gz FACRUVUFZVDRAF-CYBMUJFWSA-N -1 3 279.380 3.283 20 0 CGADHM CC/C(=C\C(=O)[N-]OCC(F)(F)F)c1ccc(C)cc1 ZINC000766761257 624232274 /nfs/dbraw/zinc/23/22/74/624232274.db2.gz DTKJIYLWOYJXFV-DHZHZOJOSA-N -1 3 287.281 3.399 20 0 CGADHM CCOc1ccc(N(C)C(=O)c2cccc(C)c2[O-])cc1 ZINC000155173303 624442995 /nfs/dbraw/zinc/44/29/95/624442995.db2.gz WAOUWIRMQDYYFA-UHFFFAOYSA-N -1 3 285.343 3.376 20 0 CGADHM C[C@H]1CCCC[C@H]1CC(=O)[N-]OCc1ccccc1 ZINC000920430760 624501220 /nfs/dbraw/zinc/50/12/20/624501220.db2.gz AISZTQMYPXJFQE-ZFWWWQNUSA-N -1 3 261.365 3.451 20 0 CGADHM N#Cc1ccc(CNCc2cccc(Cl)c2[O-])c(F)c1 ZINC000182192037 624953012 /nfs/dbraw/zinc/95/30/12/624953012.db2.gz CUAMSVZMTDTOTP-UHFFFAOYSA-N -1 3 290.725 3.346 20 0 CGADHM COC1(C/N=C/c2cc(Cl)ccc2[O-])CCC1 ZINC000182198188 624955063 /nfs/dbraw/zinc/95/50/63/624955063.db2.gz ZLTIOCNMDHFGFO-OVCLIPMQSA-N -1 3 253.729 3.034 20 0 CGADHM CCO[N-]C(=O)CCCSc1ccc(Cl)cc1 ZINC000070273394 624994410 /nfs/dbraw/zinc/99/44/10/624994410.db2.gz PZJGROPVUSNWHN-UHFFFAOYSA-N -1 3 273.785 3.280 20 0 CGADHM O=C([O-])[C@@H]1CCCCCN1Cc1ccc(F)cc1Cl ZINC000080991747 625188663 /nfs/dbraw/zinc/18/86/63/625188663.db2.gz UGECVOYEPIECHA-ZDUSSCGKSA-N -1 3 285.746 3.308 20 0 CGADHM Cc1ccc([O-])c(C(=O)NNc2c(F)cccc2Cl)c1 ZINC000184669090 625261804 /nfs/dbraw/zinc/26/18/04/625261804.db2.gz VUQXUOCEUWMNBS-UHFFFAOYSA-N -1 3 294.713 3.250 20 0 CGADHM COC(=O)C1(C/N=C/c2cc(Cl)ccc2[O-])CCCC1 ZINC000074797319 626159750 /nfs/dbraw/zinc/15/97/50/626159750.db2.gz OVEUTPFOYBIWSJ-RQZCQDPDSA-N -1 3 295.766 3.198 20 0 CGADHM CC(=O)c1ccc(C(=O)NC[C@H](C)C(C)(C)C)cc1[O-] ZINC000839682730 626778387 /nfs/dbraw/zinc/77/83/87/626778387.db2.gz HWOGPVBIMJAYBM-JTQLQIEISA-N -1 3 277.364 3.007 20 0 CGADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)CC3(C)CC3)c2)n1 ZINC000759532073 626904545 /nfs/dbraw/zinc/90/45/45/626904545.db2.gz RKEYSOWMRFQSFE-UHFFFAOYSA-N -1 3 298.342 3.253 20 0 CGADHM CCN(Cc1ccc(Cl)cc1)Cc1nc(C)cc(=O)[n-]1 ZINC000761859659 627067579 /nfs/dbraw/zinc/06/75/79/627067579.db2.gz CSDIAVBWLRJCLY-UHFFFAOYSA-N -1 3 291.782 3.166 20 0 CGADHM Cc1ccc([C@@H](C)C(=O)Nc2cccc([O-])c2F)o1 ZINC000762316900 627105464 /nfs/dbraw/zinc/10/54/64/627105464.db2.gz HZJLWJQDESNNTI-SECBINFHSA-N -1 3 263.268 3.175 20 0 CGADHM Cc1cc(=O)[n-]c(CSCc2ncc(C(C)C)o2)n1 ZINC000763209520 627145317 /nfs/dbraw/zinc/14/53/17/627145317.db2.gz RFQPTMWMZJRWLF-UHFFFAOYSA-N -1 3 279.365 3.035 20 0 CGADHM Cc1cc(=O)[n-]c(CSCc2ccc(F)cc2)n1 ZINC000763212304 627145624 /nfs/dbraw/zinc/14/56/24/627145624.db2.gz KAVYOGRITFUYAL-UHFFFAOYSA-N -1 3 264.325 3.063 20 0 CGADHM O=c1ccnc(C=Cc2cccc(Cl)c2F)[n-]1 ZINC000764434555 627207647 /nfs/dbraw/zinc/20/76/47/627207647.db2.gz KCNYRELRHGCZJI-PLNGDYQASA-N -1 3 250.660 3.145 20 0 CGADHM COc1ccc(Cl)cc1C=Cc1nccc(=O)[n-]1 ZINC000764442682 627207916 /nfs/dbraw/zinc/20/79/16/627207916.db2.gz PWPZCGQRUKRMMZ-DJWKRKHSSA-N -1 3 262.696 3.015 20 0 CGADHM CC(C)=C(C)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000769593468 627568317 /nfs/dbraw/zinc/56/83/17/627568317.db2.gz ZCEFVNRDRXULME-UHFFFAOYSA-N -1 3 298.180 3.127 20 0 CGADHM CCc1cccc(C(=O)Nc2ccc(Cl)nc2)c1[O-] ZINC000769653732 627571522 /nfs/dbraw/zinc/57/15/22/627571522.db2.gz SSQNXQBCSABRRS-UHFFFAOYSA-N -1 3 276.723 3.255 20 0 CGADHM Cc1cnc([C@H](C)OC(=O)c2cc3ccsc3[n-]2)o1 ZINC000770925419 627658402 /nfs/dbraw/zinc/65/84/02/627658402.db2.gz JXRYZKVAGSNEMK-QMMMGPOBSA-N -1 3 276.317 3.444 20 0 CGADHM Cc1ccc(-c2cc(C(=O)OCc3ccc(C)nc3)n[n-]2)o1 ZINC000772664483 627812747 /nfs/dbraw/zinc/81/27/47/627812747.db2.gz FAPWBOAOUFWABA-UHFFFAOYSA-N -1 3 297.314 3.039 20 0 CGADHM Cc1ccc(-c2cc(C(=O)OCc3ccc(C)nc3)[n-]n2)o1 ZINC000772664483 627812748 /nfs/dbraw/zinc/81/27/48/627812748.db2.gz FAPWBOAOUFWABA-UHFFFAOYSA-N -1 3 297.314 3.039 20 0 CGADHM Cc1ccc(CC(=O)[N-]OC2CCCC2)c(Cl)c1 ZINC000774873833 628045971 /nfs/dbraw/zinc/04/59/71/628045971.db2.gz CXYTWLLXKMPWGF-UHFFFAOYSA-N -1 3 267.756 3.181 20 0 CGADHM CSCC[C@@H](C)OC(=O)c1cc(-c2ccc(C)o2)[n-]n1 ZINC000835821708 634646860 /nfs/dbraw/zinc/64/68/60/634646860.db2.gz QEIPXKQRBVEGKB-SNVBAGLBSA-N -1 3 294.376 3.277 20 0 CGADHM CSCC[C@@H](C)OC(=O)c1cc(-c2ccc(C)o2)n[n-]1 ZINC000835821708 634646863 /nfs/dbraw/zinc/64/68/63/634646863.db2.gz QEIPXKQRBVEGKB-SNVBAGLBSA-N -1 3 294.376 3.277 20 0 CGADHM Cc1cccc(C=Cc2nccc(=O)[n-]2)c1OC(F)F ZINC000777917564 628311024 /nfs/dbraw/zinc/31/10/24/628311024.db2.gz CNTSXVJREFHXAT-AATRIKPKSA-N -1 3 278.258 3.262 20 0 CGADHM Cc1cc(/C=C2\C(=O)[N-]C(=O)c3ccccc32)ccc1Cl ZINC000779714367 628422019 /nfs/dbraw/zinc/42/20/19/628422019.db2.gz YEFQMMBLFBFKAM-ZROIWOOFSA-N -1 3 297.741 3.459 20 0 CGADHM C[C@H]1C[C@@H](COC(=O)c2cccc(Cl)c2[O-])CCO1 ZINC000784564754 628821587 /nfs/dbraw/zinc/82/15/87/628821587.db2.gz VHUDQMAKPRIJAQ-UWVGGRQHSA-N -1 3 284.739 3.018 20 0 CGADHM C[C@H]([N-]C(=O)C(F)F)c1ccccc1C(F)(F)F ZINC000787166110 628998301 /nfs/dbraw/zinc/99/83/01/628998301.db2.gz MQXAEMQNQOHYLP-LURJTMIESA-N -1 3 267.197 3.148 20 0 CGADHM COC(C)(C)CCOC(=O)c1cccc(Cl)c1[O-] ZINC000787773001 629029377 /nfs/dbraw/zinc/02/93/77/629029377.db2.gz LYBHLCWSROQRHW-UHFFFAOYSA-N -1 3 272.728 3.018 20 0 CGADHM O=C(c1cc2sccc2c([O-])c1)N(CC(F)F)C1CC1 ZINC000788307782 629045171 /nfs/dbraw/zinc/04/51/71/629045171.db2.gz NSDSQEHZPOQTRS-UHFFFAOYSA-N -1 3 297.326 3.477 20 0 CGADHM O=C([N-]c1cccc(F)c1F)c1nc(Cl)cs1 ZINC000788741163 629077544 /nfs/dbraw/zinc/07/75/44/629077544.db2.gz FUIQVYKARCLGLG-UHFFFAOYSA-N -1 3 274.679 3.327 20 0 CGADHM O=C(Cc1cccc(C(F)F)c1)[N-]OCc1ccccc1 ZINC000790499213 629214034 /nfs/dbraw/zinc/21/40/34/629214034.db2.gz ZGKCMOQRXCOLBD-UHFFFAOYSA-N -1 3 291.297 3.415 20 0 CGADHM C[C@@H](NC(=O)c1cc([O-])c2ccccc2c1)C1CCC1 ZINC000792273963 629353077 /nfs/dbraw/zinc/35/30/77/629353077.db2.gz CQHUKKPSDULSNC-LLVKDONJSA-N -1 3 269.344 3.464 20 0 CGADHM CC[C@@H](C)CC[C@H](O)CC(=O)Nc1cccc([O-])c1F ZINC000793747681 629499636 /nfs/dbraw/zinc/49/96/36/629499636.db2.gz YRJLJLQQMMPWCI-MNOVXSKESA-N -1 3 283.343 3.047 20 0 CGADHM CSCCO[N-]C(=O)C[C@H]1CCCCC1(C)C ZINC000794189884 629521125 /nfs/dbraw/zinc/52/11/25/629521125.db2.gz LKKDOHSSPNTWHW-LLVKDONJSA-N -1 3 259.415 3.004 20 0 CGADHM O=C(NOC/C=C/Cl)c1cc2sccc2c([O-])c1 ZINC000794296824 629530838 /nfs/dbraw/zinc/53/08/38/629530838.db2.gz OWNLFSUZZMYHJS-HNQUOIGGSA-N -1 3 283.736 3.021 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)Cc1c(C)cccc1Cl ZINC000794848639 629587610 /nfs/dbraw/zinc/58/76/10/629587610.db2.gz DMBVBVXCODOJQG-JTQLQIEISA-N -1 3 269.772 3.285 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)/C=C/c1nc2ccccc2s1 ZINC000794855319 629589154 /nfs/dbraw/zinc/58/91/54/629589154.db2.gz ZPHTXAFUKJNBKD-FBOQAHMBSA-N -1 3 290.388 3.403 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)C[C@@H](C)c1ccc(OC)cc1 ZINC000794855491 629589366 /nfs/dbraw/zinc/58/93/66/629589366.db2.gz WOUXUNSHBVJXEI-QWHCGFSZSA-N -1 3 279.380 3.283 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)CCCOc1ccccc1F ZINC000794862760 629590850 /nfs/dbraw/zinc/59/08/50/629590850.db2.gz GECYNNJZPHWEFK-GFCCVEGCSA-N -1 3 283.343 3.079 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)CCc1cc(Cl)cs1 ZINC000794865094 629591396 /nfs/dbraw/zinc/59/13/96/629591396.db2.gz OHYGHHDQHDCZRC-SECBINFHSA-N -1 3 275.801 3.428 20 0 CGADHM CS[C@H](C)[C@H](C)OC(=O)c1cc(-c2ccc(C)o2)[n-]n1 ZINC000797188522 629905305 /nfs/dbraw/zinc/90/53/05/629905305.db2.gz RRWPRZHHNKCUDM-VHSXEESVSA-N -1 3 294.376 3.275 20 0 CGADHM CS[C@H](C)[C@H](C)OC(=O)c1cc(-c2ccc(C)o2)n[n-]1 ZINC000797188522 629905315 /nfs/dbraw/zinc/90/53/15/629905315.db2.gz RRWPRZHHNKCUDM-VHSXEESVSA-N -1 3 294.376 3.275 20 0 CGADHM CCC(CC)(CC)SCc1nc2c(c(=O)[n-]1)COCC2 ZINC000865365083 630076214 /nfs/dbraw/zinc/07/62/14/630076214.db2.gz UAYHGFCJQIHVKE-UHFFFAOYSA-N -1 3 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ZINC000825172296 633333722 /nfs/dbraw/zinc/33/37/22/633333722.db2.gz OBFQFWRJSTVGPT-UHFFFAOYSA-N -1 3 278.739 3.201 20 0 CGADHM Cc1c2ccc(F)cc2nc(C(C)(C)C)c1-c1nnn[n-]1 ZINC000826233302 633409434 /nfs/dbraw/zinc/40/94/34/633409434.db2.gz BRMJDMSBLNOAMS-UHFFFAOYSA-N -1 3 285.326 3.160 20 0 CGADHM Cc1c2ccc(F)cc2nc(C(C)(C)C)c1-c1nn[n-]n1 ZINC000826233302 633409439 /nfs/dbraw/zinc/40/94/39/633409439.db2.gz BRMJDMSBLNOAMS-UHFFFAOYSA-N -1 3 285.326 3.160 20 0 CGADHM CC(=O)[C@@H](OC(=O)CCCc1ccc([O-])c(F)c1)C(C)C ZINC000829034437 633682806 /nfs/dbraw/zinc/68/28/06/633682806.db2.gz GWPGNRKVDQQZHI-INIZCTEOSA-N -1 3 296.338 3.011 20 0 CGADHM Cc1cccc(CCC(=O)[N-]OCCCC(F)(F)F)c1 ZINC000871210721 633728186 /nfs/dbraw/zinc/72/81/86/633728186.db2.gz XEZCPNWAAGXIGU-UHFFFAOYSA-N -1 3 289.297 3.318 20 0 CGADHM C[C@H]1CC[C@@H](CC(=O)[N-]OCCCC(F)(F)F)C1 ZINC000871212752 633729138 /nfs/dbraw/zinc/72/91/38/633729138.db2.gz BNGYLZQGRPFJIU-VHSXEESVSA-N -1 3 267.291 3.203 20 0 CGADHM 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20 0 CGADHM C[C@@H](O)[C@@H](N[C@@H](C)c1cccc([O-])c1F)c1ccccc1 ZINC000872087048 634013462 /nfs/dbraw/zinc/01/34/62/634013462.db2.gz ANPUYFVJCBLILP-XWCIJXRUSA-N -1 3 289.350 3.304 20 0 CGADHM Cc1ccc(CN2CCS[C@@H](C)[C@@H]2C)cc1C(=O)[O-] ZINC000872159489 634068722 /nfs/dbraw/zinc/06/87/22/634068722.db2.gz UUWCTWRIYMZSDY-RYUDHWBXSA-N -1 3 279.405 3.019 20 0 CGADHM Cc1ccc(CN2C[C@@H](C)C(F)(F)[C@H](C)C2)cc1C(=O)[O-] ZINC000872161715 634070521 /nfs/dbraw/zinc/07/05/21/634070521.db2.gz ZTSZLXGFTPLWEP-VXGBXAGGSA-N -1 3 297.345 3.416 20 0 CGADHM O=C([O-])c1csc(CN2CCC(c3ccco3)CC2)c1 ZINC000872160154 634071113 /nfs/dbraw/zinc/07/11/13/634071113.db2.gz CCUMSIUBQXPMSV-UHFFFAOYSA-N -1 3 291.372 3.419 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)C[C@]1(C)CC1(Cl)Cl ZINC000832738731 634089395 /nfs/dbraw/zinc/08/93/95/634089395.db2.gz KSZXAQXFEHTKED-PSASIEDQSA-N -1 3 268.184 3.054 20 0 CGADHM CC1(C)CO[C@@H](CNC(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000832802250 634099131 /nfs/dbraw/zinc/09/91/31/634099131.db2.gz 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/nfs/dbraw/zinc/24/44/20/637244420.db2.gz DBEBDENYTLYQTC-JXMROGBWSA-N -1 3 297.354 3.217 20 0 CGADHM O=C(N[C@]12C[C@H]1CCC2)c1cc([O-])c2ccccc2c1 ZINC000887033756 637731734 /nfs/dbraw/zinc/73/17/34/637731734.db2.gz LDSYMQKOKUEVPO-CXAGYDPISA-N -1 3 267.328 3.218 20 0 CGADHM CCc1cnc(NC(=O)CCCc2ccc([O-])c(F)c2)o1 ZINC000887237086 637777434 /nfs/dbraw/zinc/77/74/34/637777434.db2.gz HFQWIKLHZZKQPT-UHFFFAOYSA-N -1 3 292.310 3.043 20 0 CGADHM [O-]c1coc2cc(OCC[C@H]3CC3(Cl)Cl)ccc12 ZINC000853745088 637907907 /nfs/dbraw/zinc/90/79/07/637907907.db2.gz LFOTXVMMGBXEGO-QMMMGPOBSA-N -1 3 287.142 3.224 20 0 CGADHM O=C(CC[C@@H]1CC1(Cl)Cl)[N-]OCc1ccccc1 ZINC000854290289 638038893 /nfs/dbraw/zinc/03/88/93/638038893.db2.gz QFZICZBNUOMNRD-LLVKDONJSA-N -1 3 288.174 3.208 20 0 CGADHM COc1ccc(CCC(=O)[N-]OCC2CCC2)cc1Cl ZINC000856344366 638345995 /nfs/dbraw/zinc/34/59/95/638345995.db2.gz IZUZGVJIHDOHCM-UHFFFAOYSA-N -1 3 297.782 3.129 20 0 CGADHM CC(C)(C)C(=O)COC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000011808713 638530454 /nfs/dbraw/zinc/53/04/54/638530454.db2.gz YQRRNSTVWYHFCY-UHFFFAOYSA-N -1 3 278.135 3.094 20 0 CGADHM CCS(=O)(CC)=NC(=O)c1cc([O-])c2ccccc2c1 ZINC000925880605 638641630 /nfs/dbraw/zinc/64/16/30/638641630.db2.gz UODGKZOJZAPAJO-UHFFFAOYSA-N -1 3 291.372 3.193 20 0 CGADHM CCCn1cc(N[C@H](C)c2cc([O-])cc(F)c2)cn1 ZINC000925907647 638650820 /nfs/dbraw/zinc/65/08/20/638650820.db2.gz QQAXQLDPVGPPGE-SNVBAGLBSA-N -1 3 263.316 3.311 20 0 CGADHM CC(C)[C@@H]1C[C@H](C(=O)Nc2cc(Cl)ccc2[O-])CCO1 ZINC000935015694 639731589 /nfs/dbraw/zinc/73/15/89/639731589.db2.gz ANBYIAJDJOXKGS-YGRLFVJLSA-N -1 3 297.782 3.435 20 0 CGADHM CCc1noc(C)c1[N-]C(=O)c1cc(C=O)sc1Cl ZINC000935077395 639743474 /nfs/dbraw/zinc/74/34/74/639743474.db2.gz JSHLYKURDHJMBM-UHFFFAOYSA-N -1 3 298.751 3.325 20 0 CGADHM C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C(=O)Nc1cccc([O-])c1F ZINC000935134804 639753327 /nfs/dbraw/zinc/75/33/27/639753327.db2.gz LUQIBSOKLXCTFA-DBIOUOCHSA-N -1 3 263.312 3.152 20 0 CGADHM CC(=O)c1cccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)c1[O-] ZINC000935988207 639878357 /nfs/dbraw/zinc/87/83/57/639878357.db2.gz WSYKOLGXMPRWKJ-FPMFFAJLSA-N -1 3 287.359 3.360 20 0 CGADHM O=C1N[C@H](c2ccc([O-])c(F)c2)Nc2ccc(Cl)cc21 ZINC000159133737 640031290 /nfs/dbraw/zinc/03/12/90/640031290.db2.gz BLVARVINIBPPKO-CYBMUJFWSA-N -1 3 292.697 3.039 20 0 CGADHM O=C1N[C@@H](c2ccc([O-])c(F)c2)Nc2cccc(Cl)c21 ZINC000159216287 640035184 /nfs/dbraw/zinc/03/51/84/640035184.db2.gz UBGWNJQKAYVFFJ-ZDUSSCGKSA-N -1 3 292.697 3.039 20 0 CGADHM [O-]c1ccc(Cl)cc1/C=N\Cc1cccc2c1OCO2 ZINC000048833057 640072467 /nfs/dbraw/zinc/07/24/67/640072467.db2.gz MNBCGKJAFBVZFL-IUXPMGMMSA-N -1 3 289.718 3.393 20 0 CGADHM COc1cccnc1-c1nc2c([n-]1)c(F)cc(F)c2F ZINC001250517429 805668826 /nfs/dbraw/zinc/66/88/26/805668826.db2.gz VGVGRIPHMVUWSQ-UHFFFAOYSA-N -1 3 279.221 3.051 20 0 CGADHM Cc1ccc(-c2cc(OC(F)(F)F)ccc2[O-])nn1 ZINC001250521304 805672204 /nfs/dbraw/zinc/67/22/04/805672204.db2.gz KWNXVFFSDDARJP-UHFFFAOYSA-N -1 3 270.210 3.056 20 0 CGADHM O=c1[nH]cccc1-c1nc2c(cccc2C(F)(F)F)[n-]1 ZINC001250522501 805673258 /nfs/dbraw/zinc/67/32/58/805673258.db2.gz RMZXCQNUDMYUMK-UHFFFAOYSA-N -1 3 279.221 3.349 20 0 CGADHM CN(C)c1ccc2nc(-c3c(F)cc([O-])cc3F)[nH]c2c1 ZINC001251007344 805825699 /nfs/dbraw/zinc/82/56/99/805825699.db2.gz HYVJKZYKZLWSCL-UHFFFAOYSA-N -1 3 289.285 3.280 20 0 CGADHM COc1ccc2nc(-c3cc(F)c([O-])cc3F)[nH]c2c1 ZINC001251011988 805826798 /nfs/dbraw/zinc/82/67/98/805826798.db2.gz VNVRDSFKKHQHPP-UHFFFAOYSA-N -1 3 276.242 3.222 20 0 CGADHM COc1cc2[n-]c(C3OC=CC3=S)nc2cc1C ZINC001251546916 805906940 /nfs/dbraw/zinc/90/69/40/805906940.db2.gz UGLDFVAHEKEGRH-UHFFFAOYSA-N -1 3 260.318 3.429 20 0 CGADHM COc1cc2nc(C3OC=CC3=S)[n-]c2cc1C ZINC001251546916 805906944 /nfs/dbraw/zinc/90/69/44/805906944.db2.gz UGLDFVAHEKEGRH-UHFFFAOYSA-N -1 3 260.318 3.429 20 0 CGADHM CCS(=O)(=O)[N-]c1ccccc1OC1CCCCC1 ZINC001253361223 806209750 /nfs/dbraw/zinc/20/97/50/806209750.db2.gz MYAHTUZXTVDROX-UHFFFAOYSA-N -1 3 283.393 3.160 20 0 CGADHM CC(=O)c1cccc(NC(=O)[C@@H]2Cc3ccc(F)cc32)c1[O-] ZINC001160320859 806256616 /nfs/dbraw/zinc/25/66/16/806256616.db2.gz DDPSZULLTMWKNJ-CQSZACIVSA-N -1 3 299.301 3.012 20 0 CGADHM Cc1cccc(-c2nnc(-c3cc(=O)[n-]c(C4CC4)n3)o2)c1 ZINC001253688244 806278789 /nfs/dbraw/zinc/27/87/89/806278789.db2.gz FNKPGWRVWOVUIU-UHFFFAOYSA-N -1 3 294.314 3.085 20 0 CGADHM CC(C)[C@H](O)CNc1ccc(Cl)c(Cl)c1[O-] ZINC001253772261 806305798 /nfs/dbraw/zinc/30/57/98/806305798.db2.gz FQNMRXLHVPZXSP-SECBINFHSA-N -1 3 264.152 3.128 20 0 CGADHM Clc1cc(-c2nnc(Cc3ccc(Cl)cc3)o2)[n-]n1 ZINC001254300298 806380588 /nfs/dbraw/zinc/38/05/88/806380588.db2.gz IPHWINCONRMBKS-UHFFFAOYSA-N -1 3 295.129 3.357 20 0 CGADHM CCC[C@H](NC(=O)c1ccccc1[O-])C1CCCC1 ZINC001161494524 806384361 /nfs/dbraw/zinc/38/43/61/806384361.db2.gz LJWBFBAVVNNRNZ-AWEZNQCLSA-N -1 3 261.365 3.481 20 0 CGADHM [O-]c1cncc(-c2nnc([C@H]3C[C@H]3c3ccccc3)o2)c1 ZINC001254627291 806462518 /nfs/dbraw/zinc/46/25/18/806462518.db2.gz DESZKZITICZHAD-KBPBESRZSA-N -1 3 279.299 3.108 20 0 CGADHM CCc1nnc(-c2ccc([O-])cc2C(F)(F)F)o1 ZINC001255144879 806554059 /nfs/dbraw/zinc/55/40/59/806554059.db2.gz OOGQCXNECFUBAT-UHFFFAOYSA-N -1 3 258.199 3.023 20 0 CGADHM Cc1cc(Cl)ccc1-c1nnc(-c2cncc([O-])c2)o1 ZINC001255318373 806609531 /nfs/dbraw/zinc/60/95/31/806609531.db2.gz XYSHIRVDSABMSX-UHFFFAOYSA-N -1 3 287.706 3.466 20 0 CGADHM C[C@H](N)c1nc2ccccc2n1-c1cc(F)ccc1[S-] ZINC001162777014 806663385 /nfs/dbraw/zinc/66/33/85/806663385.db2.gz IURBACBSZTUBTA-VIFPVBQESA-N -1 3 287.363 3.473 20 0 CGADHM CC(C)=C(C)CC(=O)Nc1cc(C(=O)OC(C)(C)C)n[n-]1 ZINC001162885398 806679537 /nfs/dbraw/zinc/67/95/37/806679537.db2.gz ONIXGJDPMMAPNM-UHFFFAOYSA-N -1 3 293.367 3.050 20 0 CGADHM CC(C)=C(C)CC(=O)Nc1cc(C(=O)OC(C)(C)C)[n-]n1 ZINC001162885398 806679542 /nfs/dbraw/zinc/67/95/42/806679542.db2.gz ONIXGJDPMMAPNM-UHFFFAOYSA-N -1 3 293.367 3.050 20 0 CGADHM CCc1ccc2nc(-c3ccc(F)cc3)[n-]c(=O)c2c1 ZINC000057772065 798899823 /nfs/dbraw/zinc/89/98/23/798899823.db2.gz LANNTDONCHFHFB-UHFFFAOYSA-N -1 3 268.291 3.292 20 0 CGADHM Cc1c([C@@H](C)NCc2c([O-])ccc(Cl)c2F)cnn1C ZINC000190755580 799124366 /nfs/dbraw/zinc/12/43/66/799124366.db2.gz SBAUFRGGVXFYGA-MRVPVSSYSA-N -1 3 297.761 3.077 20 0 CGADHM COc1cccc(-c2nc(-c3cc(C)nc(C)c3)no2)c1[O-] ZINC000318244669 799245439 /nfs/dbraw/zinc/24/54/39/799245439.db2.gz GAVVIEXDEDWMJJ-UHFFFAOYSA-N -1 3 297.314 3.130 20 0 CGADHM CC[C@@H]1CCCN(C(=O)c2c([O-])cccc2OC)CC1 ZINC000405300272 799582795 /nfs/dbraw/zinc/58/27/95/799582795.db2.gz RVPRFFWSQWGMFG-GFCCVEGCSA-N -1 3 277.364 3.053 20 0 CGADHM O=C(N[C@H]1CCCC2(CC2)C1)c1cc([O-])ccc1Cl ZINC000696162961 799838363 /nfs/dbraw/zinc/83/83/63/799838363.db2.gz FXKQLQNWBRCOIF-JTQLQIEISA-N -1 3 279.767 3.498 20 0 CGADHM CCN(CCC(=O)[O-])Cc1ccsc1C(F)(F)F ZINC000704326251 799935422 /nfs/dbraw/zinc/93/54/22/799935422.db2.gz ITQKELFTNLCDNX-UHFFFAOYSA-N -1 3 281.299 3.064 20 0 CGADHM CSCC1CCN(Cc2ccc(C(=O)[O-])s2)CC1 ZINC000719245215 800234391 /nfs/dbraw/zinc/23/43/91/800234391.db2.gz FTHULGCDWYUVAK-UHFFFAOYSA-N -1 3 285.434 3.021 20 0 CGADHM COc1cccc2[nH]c(-c3cc(F)ccc3[O-])nc21 ZINC000721264944 800285916 /nfs/dbraw/zinc/28/59/16/800285916.db2.gz VQFNUGBDLBUVKC-UHFFFAOYSA-N -1 3 258.252 3.083 20 0 CGADHM CCc1csc(N[C@@H](C)c2nc(C(F)(F)F)n[n-]2)n1 ZINC001164227062 806919448 /nfs/dbraw/zinc/91/94/48/806919448.db2.gz YXCRMQCXTDUAHG-YFKPBYRVSA-N -1 3 291.302 3.016 20 0 CGADHM C[C@@H]1C[C@H]1c1nnc(-c2cc3cc(O)ccc3cc2[O-])o1 ZINC001256635415 806934179 /nfs/dbraw/zinc/93/41/79/806934179.db2.gz RUEOOPVIJOSXLT-PRHODGIISA-N -1 3 282.299 3.424 20 0 CGADHM CC1(C)CCN1Cc1cccc([O-])c1Br ZINC001117814464 802503466 /nfs/dbraw/zinc/50/34/66/802503466.db2.gz WMNYPWNWUULFGK-UHFFFAOYSA-N -1 3 270.170 3.139 20 0 CGADHM Cc1n[nH]cc1Nc1cc(Br)cc(F)c1[O-] ZINC001174475115 809031141 /nfs/dbraw/zinc/03/11/41/809031141.db2.gz NNQITABFIFXZGF-UHFFFAOYSA-N -1 3 286.104 3.069 20 0 CGADHM CC(C)(C)c1coc([N-]C(=O)c2ncc(Cl)s2)n1 ZINC001119575618 802680178 /nfs/dbraw/zinc/68/01/78/802680178.db2.gz MARUDXCFSCHKRK-UHFFFAOYSA-N -1 3 285.756 3.334 20 0 CGADHM Cc1cc(F)cc(C)c1-c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001243925711 803079154 /nfs/dbraw/zinc/07/91/54/803079154.db2.gz LGKHTOYMIJGVDV-UHFFFAOYSA-N -1 3 286.285 3.429 20 0 CGADHM Cc1cc(F)cc(C)c1-c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001243925711 803079159 /nfs/dbraw/zinc/07/91/59/803079159.db2.gz LGKHTOYMIJGVDV-UHFFFAOYSA-N -1 3 286.285 3.429 20 0 CGADHM Cc1nc2ccc(-c3cc(-c4nnn[n-]4)ccc3F)cc2o1 ZINC001243963593 803104523 /nfs/dbraw/zinc/10/45/23/803104523.db2.gz MOCAHHIINYUKQP-UHFFFAOYSA-N -1 3 295.277 3.122 20 0 CGADHM Cc1nc2ccc(-c3cc(-c4nn[n-]n4)ccc3F)cc2o1 ZINC001243963593 803104524 /nfs/dbraw/zinc/10/45/24/803104524.db2.gz MOCAHHIINYUKQP-UHFFFAOYSA-N -1 3 295.277 3.122 20 0 CGADHM CC(C)(C)c1cc(-c2ccc(-c3nnn[n-]3)c(F)c2)ccn1 ZINC001244022315 803145770 /nfs/dbraw/zinc/14/57/70/803145770.db2.gz DJEKEPSDVKFKLL-UHFFFAOYSA-N -1 3 297.337 3.365 20 0 CGADHM CC(C)(C)c1cc(-c2ccc(-c3nn[n-]n3)c(F)c2)ccn1 ZINC001244022315 803145775 /nfs/dbraw/zinc/14/57/75/803145775.db2.gz DJEKEPSDVKFKLL-UHFFFAOYSA-N -1 3 297.337 3.365 20 0 CGADHM NC(=O)c1ccc(-c2c([O-])cccc2Cl)c2cc[nH]c21 ZINC001244044646 803158692 /nfs/dbraw/zinc/15/86/92/803158692.db2.gz OXWCXAGVQOYCQU-UHFFFAOYSA-N -1 3 286.718 3.293 20 0 CGADHM O=c1cc(-c2c([O-])cccc2Cl)ccn1-c1cccnc1 ZINC001244046780 803159726 /nfs/dbraw/zinc/15/97/26/803159726.db2.gz ALIJVSZGQZTXHI-UHFFFAOYSA-N -1 3 298.729 3.259 20 0 CGADHM COCc1ccc(C)c(-c2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC001244172887 803223888 /nfs/dbraw/zinc/22/38/88/803223888.db2.gz PNAQDRLYWSJPHI-UHFFFAOYSA-N -1 3 298.321 3.128 20 0 CGADHM COCc1ccc(C)c(-c2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC001244172887 803223891 /nfs/dbraw/zinc/22/38/91/803223891.db2.gz PNAQDRLYWSJPHI-UHFFFAOYSA-N -1 3 298.321 3.128 20 0 CGADHM Cc1nsc(C)c1COC(=O)c1cccc(Cl)c1[O-] ZINC001129332972 803229186 /nfs/dbraw/zinc/22/91/86/803229186.db2.gz BCEFHWJDEBBPAW-UHFFFAOYSA-N -1 3 297.763 3.476 20 0 CGADHM Clc1cc(C2CC2)ccc1-c1cncc(-c2nnn[n-]2)c1 ZINC001244273200 803273117 /nfs/dbraw/zinc/27/31/17/803273117.db2.gz LABNDJWTNTUFLM-UHFFFAOYSA-N -1 3 297.749 3.460 20 0 CGADHM Clc1cc(C2CC2)ccc1-c1cncc(-c2nn[n-]n2)c1 ZINC001244273200 803273121 /nfs/dbraw/zinc/27/31/21/803273121.db2.gz LABNDJWTNTUFLM-UHFFFAOYSA-N -1 3 297.749 3.460 20 0 CGADHM CS(=O)(=O)c1ccccc1-c1ccc(Cl)cc1[O-] ZINC001244469131 803385962 /nfs/dbraw/zinc/38/59/62/803385962.db2.gz BTVVOJGVULMJCU-UHFFFAOYSA-N -1 3 282.748 3.116 20 0 CGADHM NC(=O)c1c(F)cc(-c2ccc(Cl)cc2[O-])cc1F ZINC001244472214 803388273 /nfs/dbraw/zinc/38/82/73/803388273.db2.gz OMDCIMSRGBTUIJ-UHFFFAOYSA-N -1 3 283.661 3.090 20 0 CGADHM Cc1cc(N2CCCC2)nc(-c2cc(C)c(F)c([O-])c2)n1 ZINC001244496576 803403864 /nfs/dbraw/zinc/40/38/64/803403864.db2.gz UFWUVXIWMRWJSK-UHFFFAOYSA-N -1 3 287.338 3.205 20 0 CGADHM Cc1cc(-c2cnc3nccnc3c2)cc(Cl)c1[O-] ZINC001244538262 803425823 /nfs/dbraw/zinc/42/58/23/803425823.db2.gz TWOCHKAXHTWBRN-UHFFFAOYSA-N -1 3 271.707 3.359 20 0 CGADHM Cc1cc(C)c(N)c(-c2ccc(C)c(-c3nnn[n-]3)c2)c1 ZINC001244613327 803465254 /nfs/dbraw/zinc/46/52/54/803465254.db2.gz HTOFQUUOROMGFA-UHFFFAOYSA-N -1 3 279.347 3.041 20 0 CGADHM Cc1cc(C)c(N)c(-c2ccc(C)c(-c3nn[n-]n3)c2)c1 ZINC001244613327 803465257 /nfs/dbraw/zinc/46/52/57/803465257.db2.gz HTOFQUUOROMGFA-UHFFFAOYSA-N -1 3 279.347 3.041 20 0 CGADHM Cc1nc(Nc2c(F)cccc2OC(C)C)cc(=O)[n-]1 ZINC001211773378 814941176 /nfs/dbraw/zinc/94/11/76/814941176.db2.gz WSOBAKPQZWFDIO-UHFFFAOYSA-N -1 3 277.299 3.161 20 0 CGADHM CC[C@H](CC(=O)Nc1nnc(C(F)(F)F)[n-]1)C(C)(C)C ZINC001133907255 803509499 /nfs/dbraw/zinc/50/94/99/803509499.db2.gz QYFSWWNPAMQJGF-SSDOTTSWSA-N -1 3 292.305 3.224 20 0 CGADHM CC[C@H](CC(=O)Nc1nc(C(F)(F)F)n[n-]1)C(C)(C)C ZINC001133907255 803509501 /nfs/dbraw/zinc/50/95/01/803509501.db2.gz QYFSWWNPAMQJGF-SSDOTTSWSA-N -1 3 292.305 3.224 20 0 CGADHM CSc1ccc([O-])c(C(=O)NCc2ccc(F)cc2)c1 ZINC001135483713 803599043 /nfs/dbraw/zinc/59/90/43/803599043.db2.gz JTBQRRPVTZRPHM-UHFFFAOYSA-N -1 3 291.347 3.183 20 0 CGADHM Cc1noc(-c2ccc(-c3ccc([O-])cc3Cl)nc2)n1 ZINC001245078377 803633990 /nfs/dbraw/zinc/63/39/90/803633990.db2.gz HQRRKTDKLWDPQL-UHFFFAOYSA-N -1 3 287.706 3.466 20 0 CGADHM CC1(c2cccc(-c3ccc([O-])cc3Cl)n2)OCCO1 ZINC001245081817 803636818 /nfs/dbraw/zinc/63/68/18/803636818.db2.gz LYWHNQCCLQPVHK-UHFFFAOYSA-N -1 3 291.734 3.327 20 0 CGADHM Cc1ccc(-c2ccc(O)cc2Cl)cc1-c1nn[n-]n1 ZINC001245083239 803637463 /nfs/dbraw/zinc/63/74/63/803637463.db2.gz KHHPREQOUXZIEQ-UHFFFAOYSA-N -1 3 286.722 3.201 20 0 CGADHM CC(C)n1cccc(-c2ccc([O-])cc2Cl)c1=O ZINC001245083741 803637813 /nfs/dbraw/zinc/63/78/13/803637813.db2.gz UEXIOWVCTZNZIJ-UHFFFAOYSA-N -1 3 263.724 3.455 20 0 CGADHM Cc1cc(Cl)ccc1-c1ccc(-c2nnn[n-]2)cc1 ZINC001245085804 803638504 /nfs/dbraw/zinc/63/85/04/803638504.db2.gz XBPNHJJLCCBNKP-UHFFFAOYSA-N -1 3 270.723 3.496 20 0 CGADHM Cc1cc(Cl)ccc1-c1ccc(-c2nn[n-]n2)cc1 ZINC001245085804 803638506 /nfs/dbraw/zinc/63/85/06/803638506.db2.gz XBPNHJJLCCBNKP-UHFFFAOYSA-N -1 3 270.723 3.496 20 0 CGADHM C[C@@H]1CCCC[C@@H]1CCNC(=O)c1ccc(O)cc1[O-] ZINC001136790707 803653144 /nfs/dbraw/zinc/65/31/44/803653144.db2.gz CQIHPGZWPPRKII-VXGBXAGGSA-N -1 3 277.364 3.044 20 0 CGADHM Cc1noc2ccc(-c3cc(F)cc(-c4nnn[n-]4)c3)cc12 ZINC001245282355 803692003 /nfs/dbraw/zinc/69/20/03/803692003.db2.gz OLOCZTXDARFENN-UHFFFAOYSA-N -1 3 295.277 3.122 20 0 CGADHM Cc1noc2ccc(-c3cc(F)cc(-c4nn[n-]n4)c3)cc12 ZINC001245282355 803692005 /nfs/dbraw/zinc/69/20/05/803692005.db2.gz OLOCZTXDARFENN-UHFFFAOYSA-N -1 3 295.277 3.122 20 0 CGADHM [O-]c1ccc(Nc2ncccc2Cl)c(F)c1F ZINC001212002581 814964858 /nfs/dbraw/zinc/96/48/58/814964858.db2.gz AHLSNSARJSLXKB-UHFFFAOYSA-N -1 3 256.639 3.462 20 0 CGADHM C[C@]1(NC(=O)c2ccccc2[O-])CCCc2ccccc21 ZINC001137762613 803769081 /nfs/dbraw/zinc/76/90/81/803769081.db2.gz JQOLVGPRGJJGMJ-SFHVURJKSA-N -1 3 281.355 3.374 20 0 CGADHM [O-]c1ccc(Nc2ccc3c(c2)COC3)c(F)c1F ZINC001212007398 814965491 /nfs/dbraw/zinc/96/54/91/814965491.db2.gz AOEKKPXIZZMYQL-UHFFFAOYSA-N -1 3 263.243 3.444 20 0 CGADHM CC(=O)c1ccc(Nc2ccc([O-])c(F)c2F)cc1O ZINC001212008845 814966572 /nfs/dbraw/zinc/96/65/72/814966572.db2.gz FNOGKMNKXFXHPI-UHFFFAOYSA-N -1 3 279.242 3.322 20 0 CGADHM O=C1NCc2cccc(Nc3ccc([O-])c(F)c3F)c2N1 ZINC001212016322 814968208 /nfs/dbraw/zinc/96/82/08/814968208.db2.gz KEOCCQTVMYTDCM-UHFFFAOYSA-N -1 3 291.257 3.049 20 0 CGADHM COC(=O)c1nc2nc(-c3cccc4ccoc43)ccc2[n-]1 ZINC001245617316 803859612 /nfs/dbraw/zinc/85/96/12/803859612.db2.gz QLDCVKULLSMGCA-UHFFFAOYSA-N -1 3 293.282 3.158 20 0 CGADHM COC(=O)c1nc2ccc(-c3cccc4ccoc43)[n-]c-2n1 ZINC001245617316 803859621 /nfs/dbraw/zinc/85/96/21/803859621.db2.gz QLDCVKULLSMGCA-UHFFFAOYSA-N -1 3 293.282 3.158 20 0 CGADHM [O-]c1cc(-c2ccc3cncn3c2)c(F)c(F)c1F ZINC001245635480 803869250 /nfs/dbraw/zinc/86/92/50/803869250.db2.gz KPAXOBBRIJQUQO-UHFFFAOYSA-N -1 3 264.206 3.124 20 0 CGADHM CCOC(=O)c1cc(C)c(-c2c([O-])cccc2F)cn1 ZINC001245653559 803885155 /nfs/dbraw/zinc/88/51/55/803885155.db2.gz FKVDZYVNZAUTFZ-UHFFFAOYSA-N -1 3 275.279 3.078 20 0 CGADHM Cc1nc(C(=O)OC(C)C)ccc1-c1c([O-])cccc1F ZINC001245653980 803885525 /nfs/dbraw/zinc/88/55/25/803885525.db2.gz IEFOJOOENRBSBN-UHFFFAOYSA-N -1 3 289.306 3.467 20 0 CGADHM COC(=O)c1cc2cc[nH]c2c(-c2c([O-])cccc2F)c1 ZINC001245654237 803885546 /nfs/dbraw/zinc/88/55/46/803885546.db2.gz BHZQTWOYCHIUTC-UHFFFAOYSA-N -1 3 285.274 3.466 20 0 CGADHM CCOC(=O)COc1ccccc1-c1c([O-])cccc1F ZINC001245656311 803890686 /nfs/dbraw/zinc/89/06/86/803890686.db2.gz KJFKREJLIMYSNZ-UHFFFAOYSA-N -1 3 290.290 3.140 20 0 CGADHM [O-]c1cccc(F)c1-c1ccccc1CN1CCOCC1 ZINC001245656833 803890885 /nfs/dbraw/zinc/89/08/85/803890885.db2.gz USDZLKLKHZRUKP-UHFFFAOYSA-N -1 3 287.334 3.031 20 0 CGADHM CCN(Cc1cccc(F)c1F)Cc1ncccc1[O-] ZINC001138396612 803914842 /nfs/dbraw/zinc/91/48/42/803914842.db2.gz VLRRZNPBFPWMNY-UHFFFAOYSA-N -1 3 278.302 3.088 20 0 CGADHM Fc1ccc(Cl)c(F)c1-c1cccc(-c2nnn[n-]2)c1 ZINC001245721625 803928402 /nfs/dbraw/zinc/92/84/02/803928402.db2.gz AUSIOZIZDQWXEM-UHFFFAOYSA-N -1 3 292.676 3.465 20 0 CGADHM Fc1ccc(Cl)c(F)c1-c1cccc(-c2nn[n-]n2)c1 ZINC001245721625 803928408 /nfs/dbraw/zinc/92/84/08/803928408.db2.gz AUSIOZIZDQWXEM-UHFFFAOYSA-N -1 3 292.676 3.465 20 0 CGADHM Cc1ncc([N-]c2nnccc2C(F)(F)F)s1 ZINC001212133104 814980782 /nfs/dbraw/zinc/98/07/82/814980782.db2.gz NVECQMAHKQMCBS-UHFFFAOYSA-N -1 3 260.244 3.004 20 0 CGADHM [O-]c1ccc(F)c(-c2cc3nc[nH]c3cn2)c1Cl ZINC001245827644 803982866 /nfs/dbraw/zinc/98/28/66/803982866.db2.gz OFRZLWMRDXHEDX-UHFFFAOYSA-N -1 3 263.659 3.123 20 0 CGADHM CCOc1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1CC ZINC001245872308 804004314 /nfs/dbraw/zinc/00/43/14/804004314.db2.gz UBPWXMFKHGUWGX-UHFFFAOYSA-N -1 3 294.358 3.495 20 0 CGADHM CCOc1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1CC ZINC001245872308 804004321 /nfs/dbraw/zinc/00/43/21/804004321.db2.gz UBPWXMFKHGUWGX-UHFFFAOYSA-N -1 3 294.358 3.495 20 0 CGADHM Cc1nc(Nc2ccc(OCC(C)C)cc2)cc(=O)[n-]1 ZINC001212283289 815001722 /nfs/dbraw/zinc/00/17/22/815001722.db2.gz DSNJLZFUUGAMLG-UHFFFAOYSA-N -1 3 273.336 3.269 20 0 CGADHM O=c1cc(-c2nc(-c3ccc4sccc4c3)no2)nc[n-]1 ZINC001212360690 815010475 /nfs/dbraw/zinc/01/04/75/815010475.db2.gz INLNIGSQHYQPES-UHFFFAOYSA-N -1 3 296.311 3.114 20 0 CGADHM C[C@@H]1CCCCCN1Cc1ccc([O-])c(F)c1F ZINC001140891532 804543129 /nfs/dbraw/zinc/54/31/29/804543129.db2.gz ZUAAOYDBNSHNNQ-SNVBAGLBSA-N -1 3 255.308 3.435 20 0 CGADHM COCC[C@@H]1CCCCN1Cc1cc(F)c([O-])c(F)c1 ZINC001140990277 804564592 /nfs/dbraw/zinc/56/45/92/804564592.db2.gz SGNOJENSEKVICR-LBPRGKRZSA-N -1 3 285.334 3.061 20 0 CGADHM Cc1ccccc1[C@H](C)C(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC001141301864 804628869 /nfs/dbraw/zinc/62/88/69/804628869.db2.gz DTUCFEKRBCLSBH-NSHDSACASA-N -1 3 295.342 3.319 20 0 CGADHM Cc1cccc(OC[C@H](C)NC(=O)c2c(C)cccc2[O-])c1 ZINC001142031806 804690683 /nfs/dbraw/zinc/69/06/83/804690683.db2.gz NLYZOIDRUGQBMY-AWEZNQCLSA-N -1 3 299.370 3.206 20 0 CGADHM C[C@@H]1CN(Cc2c(Cl)cc([O-])cc2Cl)CCCO1 ZINC001142105669 804695033 /nfs/dbraw/zinc/69/50/33/804695033.db2.gz JQAUSVCYDOBCSG-SECBINFHSA-N -1 3 290.190 3.310 20 0 CGADHM CN(Cc1c(Cl)cc([O-])cc1Cl)C1CCOCC1 ZINC001142105721 804695049 /nfs/dbraw/zinc/69/50/49/804695049.db2.gz KPOJBZZYEKCDDE-UHFFFAOYSA-N -1 3 290.190 3.310 20 0 CGADHM CC1(F)CN(Cc2c(Cl)cc([O-])cc2Cl)C1 ZINC001142105810 804695131 /nfs/dbraw/zinc/69/51/31/804695131.db2.gz OFLDDCPLSMKLIP-UHFFFAOYSA-N -1 3 264.127 3.243 20 0 CGADHM [O-]c1cc(Cl)c(CN2C[C@H]3[C@H](CF)[C@H]3C2)c(Cl)c1 ZINC001142118111 804696791 /nfs/dbraw/zinc/69/67/91/804696791.db2.gz AXWZZEXRDPYFAW-OWUUHHOZSA-N -1 3 290.165 3.346 20 0 CGADHM [O-]c1cccnc1NC(=S)Nc1c(F)cc(F)cc1F ZINC001247382264 804716787 /nfs/dbraw/zinc/71/67/87/804716787.db2.gz LMKADPPRABJHJX-UHFFFAOYSA-N -1 3 299.277 3.013 20 0 CGADHM COc1ccc(C)nc1Nc1cc(F)cc(F)c1[O-] ZINC001212481961 815036146 /nfs/dbraw/zinc/03/61/46/815036146.db2.gz SXSMSSHBQTYFSN-UHFFFAOYSA-N -1 3 266.247 3.126 20 0 CGADHM Cc1ccccc1CC(C)(C)C[N-]C(=O)C(F)(F)F ZINC001142771424 804767666 /nfs/dbraw/zinc/76/76/66/804767666.db2.gz ZNWRPCOLMNFITI-UHFFFAOYSA-N -1 3 273.298 3.242 20 0 CGADHM O=C([N-]CCCCC1CCCCC1)C(F)(F)F ZINC001142771096 804767725 /nfs/dbraw/zinc/76/77/25/804767725.db2.gz RVHPJVKUMPEYMW-UHFFFAOYSA-N -1 3 251.292 3.416 20 0 CGADHM [O-]c1cc(F)c(CN2CCc3ccccc3CC2)c(F)c1 ZINC001144554741 805003800 /nfs/dbraw/zinc/00/38/00/805003800.db2.gz FVYIQCWSRWKLFQ-UHFFFAOYSA-N -1 3 289.325 3.271 20 0 CGADHM CC(C)c1cccc(NC(=O)Cc2ccc([O-])c(F)c2)n1 ZINC001144617749 805014598 /nfs/dbraw/zinc/01/45/98/805014598.db2.gz SVVCXEQSGBSHNL-UHFFFAOYSA-N -1 3 288.322 3.231 20 0 CGADHM C[C@H]1C[C@H](NC(=O)Cc2ccc([O-])c(F)c2)CC(C)(C)C1 ZINC001144632997 805016056 /nfs/dbraw/zinc/01/60/56/805016056.db2.gz ZTYIIWYDHFZTMT-AAEUAGOBSA-N -1 3 293.382 3.405 20 0 CGADHM CC[C@@H]1CCCN(Cc2cc(F)c([O-])cc2F)C1 ZINC001144657847 805025874 /nfs/dbraw/zinc/02/58/74/805025874.db2.gz KRBPSTVJTZZRHV-SNVBAGLBSA-N -1 3 255.308 3.292 20 0 CGADHM COCC[C@@H]1CCCCN1Cc1cc(F)c([O-])cc1F ZINC001144667113 805029811 /nfs/dbraw/zinc/02/98/11/805029811.db2.gz SUSUCSUIAAWCTO-LBPRGKRZSA-N -1 3 285.334 3.061 20 0 CGADHM O=C(Nc1cc([O-])cc(Cl)c1)c1cnoc1C1CC1 ZINC001147660502 805142973 /nfs/dbraw/zinc/14/29/73/805142973.db2.gz HGDCYZQBYVQEOE-UHFFFAOYSA-N -1 3 278.695 3.163 20 0 CGADHM CC(=O)c1cc(C(=O)Nc2ccc3[nH]ccc3c2)ccc1[O-] ZINC001148655399 805204737 /nfs/dbraw/zinc/20/47/37/805204737.db2.gz BHAGUCNOMIBWMV-UHFFFAOYSA-N -1 3 294.310 3.328 20 0 CGADHM Cc1nc2ccccc2c(C(=O)N(C)C[C@H]2CC2(C)C)c1[O-] ZINC001149195514 805223995 /nfs/dbraw/zinc/22/39/95/805223995.db2.gz GTHRVEJLFXCEGM-GFCCVEGCSA-N -1 3 298.386 3.367 20 0 CGADHM COc1cc(Nc2cc([O-])c(F)cc2F)ccc1N ZINC001249722244 805225361 /nfs/dbraw/zinc/22/53/61/805225361.db2.gz UTQCYHNVVFBXFR-UHFFFAOYSA-N -1 3 266.247 3.005 20 0 CGADHM Nc1ccc([N-]c2nnc(-c3ccco3)o2)c(Cl)c1 ZINC001249729661 805228153 /nfs/dbraw/zinc/22/81/53/805228153.db2.gz VEVZPXUDZITIHE-UHFFFAOYSA-N -1 3 276.683 3.309 20 0 CGADHM O=C(Nc1cncc([O-])c1)c1cccc2ccsc21 ZINC001149512088 805236284 /nfs/dbraw/zinc/23/62/84/805236284.db2.gz OJSNRFDWAUGNEB-UHFFFAOYSA-N -1 3 270.313 3.254 20 0 CGADHM O=C(Nc1ccc(F)c([O-])c1)c1c[nH]c(=O)c2ccccc12 ZINC001151156367 805284738 /nfs/dbraw/zinc/28/47/38/805284738.db2.gz PPXCSIHUTGNVQB-UHFFFAOYSA-N -1 3 298.273 3.037 20 0 CGADHM COc1cc(C)c(Nc2cc(=O)[n-]c(C3CC3)n2)c(C)c1 ZINC001250033527 805381208 /nfs/dbraw/zinc/38/12/08/805381208.db2.gz METGNSAABOFFKO-UHFFFAOYSA-N -1 3 285.347 3.429 20 0 CGADHM O=C(Cc1cc(F)ccc1O)Nc1ccc(Cl)cc1[O-] ZINC001153462463 805398846 /nfs/dbraw/zinc/39/88/46/805398846.db2.gz XOZSSSNGYUZXCE-UHFFFAOYSA-N -1 3 295.697 3.072 20 0 CGADHM O=C(Nc1ncccc1[O-])c1cccc(C(F)F)c1F ZINC001154067005 805431641 /nfs/dbraw/zinc/43/16/41/805431641.db2.gz ABMRAWONUFQUSO-UHFFFAOYSA-N -1 3 282.221 3.116 20 0 CGADHM O=c1[nH]c2ccccc2n1CCCc1cccc(F)c1[O-] ZINC001250177964 805465251 /nfs/dbraw/zinc/46/52/51/805465251.db2.gz GWTHCSAEONYXHZ-UHFFFAOYSA-N -1 3 286.306 3.219 20 0 CGADHM Nc1nc2ccccc2nc1Nc1ccc(Cl)c([O-])c1 ZINC001212589549 815078990 /nfs/dbraw/zinc/07/89/90/815078990.db2.gz RFOHCXZFGMQGLM-UHFFFAOYSA-N -1 3 286.722 3.315 20 0 CGADHM COc1ccc(Nc2ccc(Cl)c([O-])c2)c(CO)c1 ZINC001212593489 815080038 /nfs/dbraw/zinc/08/00/38/815080038.db2.gz UDLUIXYYIQDCFO-UHFFFAOYSA-N -1 3 279.723 3.290 20 0 CGADHM CS(=O)(=O)c1ccc(Nc2ccc(Cl)c([O-])c2)cc1 ZINC001212592369 815080206 /nfs/dbraw/zinc/08/02/06/815080206.db2.gz MPOHMAUUJPYJOI-UHFFFAOYSA-N -1 3 297.763 3.193 20 0 CGADHM [O-]c1ccc(F)c(CCOCc2ccccc2)c1F ZINC001250293791 805545573 /nfs/dbraw/zinc/54/55/73/805545573.db2.gz STEPLEDSTHNKPW-UHFFFAOYSA-N -1 3 264.271 3.430 20 0 CGADHM [O-]c1cc(F)c(CCOCc2ccccc2)c(F)c1 ZINC001250293943 805547366 /nfs/dbraw/zinc/54/73/66/805547366.db2.gz VZICJVTYLXYCBV-UHFFFAOYSA-N -1 3 264.271 3.430 20 0 CGADHM [O-]c1c(F)cc(F)cc1CCOCc1ccccc1 ZINC001250296027 805549758 /nfs/dbraw/zinc/54/97/58/805549758.db2.gz WFVUMQCPQGPEOA-UHFFFAOYSA-N -1 3 264.271 3.430 20 0 CGADHM O=C1Cc2ccc(Nc3nc4c(cccc4[O-])s3)cc2N1 ZINC001250312063 805559446 /nfs/dbraw/zinc/55/94/46/805559446.db2.gz ZRMYBLDKUVCGJN-UHFFFAOYSA-N -1 3 297.339 3.240 20 0 CGADHM CCOC(=O)c1ccc(Cc2cc(F)cc(F)c2[O-])cc1 ZINC001250326292 805570411 /nfs/dbraw/zinc/57/04/11/805570411.db2.gz HWJBTHNYEWTTCX-UHFFFAOYSA-N -1 3 292.281 3.438 20 0 CGADHM [O-]c1cccc(O)c1-c1nnc(CC2CCCCC2)o1 ZINC001257004783 807024592 /nfs/dbraw/zinc/02/45/92/807024592.db2.gz XJVNCIVYNUAMNZ-UHFFFAOYSA-N -1 3 274.320 3.271 20 0 CGADHM [O-]c1ccc(-c2nnc(CCCc3ccccc3)o2)nc1 ZINC001257747330 807219981 /nfs/dbraw/zinc/21/99/81/807219981.db2.gz QEFJHKOXIGVTCA-UHFFFAOYSA-N -1 3 281.315 3.013 20 0 CGADHM FC(F)(F)c1ncc(-c2nnc(CC3CCCC3)o2)[n-]1 ZINC001258680728 807539747 /nfs/dbraw/zinc/53/97/47/807539747.db2.gz CRRJSSIFDPMFKL-UHFFFAOYSA-N -1 3 286.257 3.211 20 0 CGADHM FC(F)(F)c1nc(-c2nnc(CC3CCCC3)o2)c[n-]1 ZINC001258680728 807539749 /nfs/dbraw/zinc/53/97/49/807539749.db2.gz CRRJSSIFDPMFKL-UHFFFAOYSA-N -1 3 286.257 3.211 20 0 CGADHM O=S(=O)(CC1CCCCC1)[N-]c1cc(F)ccc1F ZINC001259612903 807681917 /nfs/dbraw/zinc/68/19/17/807681917.db2.gz JSUQHOCLKQXQQQ-UHFFFAOYSA-N -1 3 289.347 3.287 20 0 CGADHM Cc1ccccc1CS(=O)(=O)[N-]c1cc(F)cc(F)c1 ZINC001260014636 807694701 /nfs/dbraw/zinc/69/47/01/807694701.db2.gz GCJRAFAHZGJTGI-UHFFFAOYSA-N -1 3 297.326 3.215 20 0 CGADHM Cc1nc(OCC(C)C)ccc1NCc1ncccc1[O-] ZINC001169736319 807701104 /nfs/dbraw/zinc/70/11/04/807701104.db2.gz HQPCIVHABNQTDS-UHFFFAOYSA-N -1 3 287.363 3.138 20 0 CGADHM COc1ccc([N-]S(=O)(=O)c2cccc(C)c2C)cc1 ZINC001260991849 807708292 /nfs/dbraw/zinc/70/82/92/807708292.db2.gz QTEKOHYMFFVKAU-UHFFFAOYSA-N -1 3 291.372 3.113 20 0 CGADHM S=c1ccc(NCc2ccccc2-c2cccnc2)n[n-]1 ZINC001170111615 807760665 /nfs/dbraw/zinc/76/06/65/807760665.db2.gz NGUCFMRIRZRUOG-UHFFFAOYSA-N -1 3 294.383 3.439 20 0 CGADHM CO[C@H]1CC=C(Nc2cc([O-])c(F)cc2F)CC1 ZINC001212880170 815172739 /nfs/dbraw/zinc/17/27/39/815172739.db2.gz SVDAJKHHUGYJQA-VIFPVBQESA-N -1 3 255.264 3.165 20 0 CGADHM Cc1cc(F)c2[nH]ccc2c1Nc1ccc(C(N)=O)c([O-])c1 ZINC001212976767 815194267 /nfs/dbraw/zinc/19/42/67/815194267.db2.gz IDSIMFAOQMWDDF-UHFFFAOYSA-N -1 3 299.305 3.164 20 0 CGADHM Cc1nc2cc(Nc3ccnc(Cl)c3[O-])ccc2[nH]1 ZINC001213072250 815221970 /nfs/dbraw/zinc/22/19/70/815221970.db2.gz KAEBUEYQDRKJKJ-UHFFFAOYSA-N -1 3 274.711 3.369 20 0 CGADHM Cc1nc2ccc(Nc3ccnc(Cl)c3[O-])cc2[nH]1 ZINC001213072250 815221975 /nfs/dbraw/zinc/22/19/75/815221975.db2.gz KAEBUEYQDRKJKJ-UHFFFAOYSA-N -1 3 274.711 3.369 20 0 CGADHM COc1ccc(Nc2ncc(Br)cc2[O-])cc1 ZINC001173804269 808678597 /nfs/dbraw/zinc/67/85/97/808678597.db2.gz CMIFTYXWZGDNMV-UHFFFAOYSA-N -1 3 295.136 3.302 20 0 CGADHM COc1cccc(Nc2cc([O-])c(F)cc2F)c1 ZINC001173825837 808691479 /nfs/dbraw/zinc/69/14/79/808691479.db2.gz VXAXUGUSCTYHSQ-UHFFFAOYSA-N -1 3 251.232 3.423 20 0 CGADHM [O-]c1cc(F)cnc1Nc1ccc(-c2ncc[nH]2)cc1 ZINC001213087746 815230003 /nfs/dbraw/zinc/23/00/03/815230003.db2.gz YOELMULCZJECRJ-UHFFFAOYSA-N -1 3 270.267 3.060 20 0 CGADHM [O-]c1ccc(Nc2ccc3c(c2)OCCO3)c(F)c1F ZINC001173877129 808732640 /nfs/dbraw/zinc/73/26/40/808732640.db2.gz JUBRPLXPUOHPKU-UHFFFAOYSA-N -1 3 279.242 3.185 20 0 CGADHM COc1ccc(Nc2ncc(Cl)cc2[O-])c(OC)c1 ZINC001173890074 808744096 /nfs/dbraw/zinc/74/40/96/808744096.db2.gz KSIFYFRKLZEUNT-UHFFFAOYSA-N -1 3 280.711 3.201 20 0 CGADHM COc1ccc(C(C)C)cc1Nc1cnc(C)[n-]c1=O ZINC001173918087 808758740 /nfs/dbraw/zinc/75/87/40/808758740.db2.gz WPFKVDGLYNNVAT-UHFFFAOYSA-N -1 3 273.336 3.366 20 0 CGADHM [O-]c1cc(Cl)cnc1Nc1cccc(F)c1F ZINC001173944949 808776570 /nfs/dbraw/zinc/77/65/70/808776570.db2.gz BPBKANGVAKEKCQ-UHFFFAOYSA-N -1 3 256.639 3.462 20 0 CGADHM COc1cc(F)ccc1Nc1ncc(Cl)cc1[O-] ZINC001174128875 808879484 /nfs/dbraw/zinc/87/94/84/808879484.db2.gz NPHCSLYERVWSOK-UHFFFAOYSA-N -1 3 268.675 3.332 20 0 CGADHM [O-]c1cc(Cl)cnc1Nc1ccc2n[nH]cc2c1 ZINC001174271675 808918413 /nfs/dbraw/zinc/91/84/13/808918413.db2.gz CMQPSMCLGQMMLR-UHFFFAOYSA-N -1 3 260.684 3.061 20 0 CGADHM O=c1cc(Nc2cccc3n[nH]cc32)[n-]n1-c1ccccc1 ZINC001174343295 808964324 /nfs/dbraw/zinc/96/43/24/808964324.db2.gz PBXOZCWPRARSSU-UHFFFAOYSA-N -1 3 291.314 3.198 20 0 CGADHM [O-]c1cc(Cl)cnc1Nc1cnc2[nH]ccc2c1 ZINC001174395987 808993410 /nfs/dbraw/zinc/99/34/10/808993410.db2.gz RLIJKSXJQFTCRM-UHFFFAOYSA-N -1 3 260.684 3.012 20 0 CGADHM CC(C)Oc1ccc([N-]c2nnc(C(C)(C)C)o2)cn1 ZINC001174762971 809158656 /nfs/dbraw/zinc/15/86/56/809158656.db2.gz LVDKNLRZHGJFDX-UHFFFAOYSA-N -1 3 276.340 3.293 20 0 CGADHM Cc1cc(Nc2cc(Cl)c([O-])cc2Cl)n(C)n1 ZINC001174824344 809172067 /nfs/dbraw/zinc/17/20/67/809172067.db2.gz NPUKDMSZKIJADD-UHFFFAOYSA-N -1 3 272.135 3.485 20 0 CGADHM O=c1cc(Nc2ccc3c(c2)OCO3)[n-]n1-c1ccccc1 ZINC001174861504 809180504 /nfs/dbraw/zinc/18/05/04/809180504.db2.gz COBHYEVIUWSNEN-UHFFFAOYSA-N -1 3 295.298 3.050 20 0 CGADHM COC(=O)c1ccsc1Nc1cc(F)c([O-])c(F)c1 ZINC001213370390 815270732 /nfs/dbraw/zinc/27/07/32/815270732.db2.gz GGRWPVULQWOTQX-UHFFFAOYSA-N -1 3 285.271 3.262 20 0 CGADHM [O-]c1c(F)cc(Nc2cnn(CC(F)(F)F)c2)cc1F ZINC001213371107 815272030 /nfs/dbraw/zinc/27/20/30/815272030.db2.gz WIEXSJTUCHEGPD-UHFFFAOYSA-N -1 3 293.195 3.173 20 0 CGADHM Cc1cc(N)ccc1Nc1c(F)cc([O-])cc1F ZINC001175096898 809269151 /nfs/dbraw/zinc/26/91/51/809269151.db2.gz LFZLMKYXMKURNN-UHFFFAOYSA-N -1 3 250.248 3.305 20 0 CGADHM [O-]c1cc(F)c(Nc2c(F)cccc2CO)c(F)c1 ZINC001175099391 809269472 /nfs/dbraw/zinc/26/94/72/809269472.db2.gz DSXOQUFBMQRUSG-UHFFFAOYSA-N -1 3 269.222 3.045 20 0 CGADHM [O-]c1cccc(Nc2cc(CO)ccc2F)c1Cl ZINC001175131686 809284139 /nfs/dbraw/zinc/28/41/39/809284139.db2.gz MOMHWUZNSRYYFV-UHFFFAOYSA-N -1 3 267.687 3.421 20 0 CGADHM CCOc1ccc(Nc2ncc(F)cc2[O-])c(F)c1 ZINC001175247644 809323079 /nfs/dbraw/zinc/32/30/79/809323079.db2.gz GLQLFVALPSIJDJ-UHFFFAOYSA-N -1 3 266.247 3.208 20 0 CGADHM Cc1cc(Nc2cc(=O)[n-]c(C3CC3)n2)ccc1F ZINC001175252507 809326184 /nfs/dbraw/zinc/32/61/84/809326184.db2.gz ZPSJKNCNYAYDQG-UHFFFAOYSA-N -1 3 259.284 3.251 20 0 CGADHM C[C@H](O)c1cccc(Nc2c(F)ccc([O-])c2F)c1 ZINC001175264150 809330008 /nfs/dbraw/zinc/33/00/08/809330008.db2.gz BBCCVZGYWFIXBP-QMMMGPOBSA-N -1 3 265.259 3.467 20 0 CGADHM [O-]c1ccc(F)c(Nc2cncc(OC(F)F)c2)c1F ZINC001175265988 809331777 /nfs/dbraw/zinc/33/17/77/809331777.db2.gz OECKAYJURBOQKW-UHFFFAOYSA-N -1 3 288.200 3.410 20 0 CGADHM [O-]c1ccc(F)c(Nc2ccc3ncncc3c2)c1F ZINC001175269776 809334327 /nfs/dbraw/zinc/33/43/27/809334327.db2.gz KZHVKVILAWOAJI-UHFFFAOYSA-N -1 3 273.242 3.357 20 0 CGADHM COc1c(O)cccc1Nc1c(F)ccc([O-])c1F ZINC001175271638 809335507 /nfs/dbraw/zinc/33/55/07/809335507.db2.gz YWSPXKFRNOYTRV-UHFFFAOYSA-N -1 3 267.231 3.128 20 0 CGADHM [O-]c1cc(Nc2ccc(N3CCCC3)nc2)c(F)cc1F ZINC001175351521 809374871 /nfs/dbraw/zinc/37/48/71/809374871.db2.gz HBUUCGUTUYNCOR-UHFFFAOYSA-N -1 3 291.301 3.409 20 0 CGADHM [O-]c1cc(F)c(Nc2cnc3cccnc3c2)cc1F ZINC001175360781 809378545 /nfs/dbraw/zinc/37/85/45/809378545.db2.gz NVYZOSNLLTUXRI-UHFFFAOYSA-N -1 3 273.242 3.357 20 0 CGADHM Cc1ccc(C)c(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001175427986 809401394 /nfs/dbraw/zinc/40/13/94/809401394.db2.gz CGRQPHQKVYXMDS-UHFFFAOYSA-N -1 3 265.320 3.227 20 0 CGADHM Fc1ccc(F)c(Nc2ccc(-c3nn[n-]n3)cc2)c1F ZINC001175429239 809401690 /nfs/dbraw/zinc/40/16/90/809401690.db2.gz TUKDPEIBGGLERQ-UHFFFAOYSA-N -1 3 291.236 3.028 20 0 CGADHM Cc1cccc([O-])c1C(=O)NCCCOC1CCCCC1 ZINC001290302742 809405192 /nfs/dbraw/zinc/40/51/92/809405192.db2.gz XSUZILMTJYBKPX-UHFFFAOYSA-N -1 3 291.391 3.170 20 0 CGADHM [O-]c1cccc(Nc2ccc(CO)cc2)c1Br ZINC001175569542 809454376 /nfs/dbraw/zinc/45/43/76/809454376.db2.gz ARSQWUZCHYNPJM-UHFFFAOYSA-N -1 3 294.148 3.391 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2cc(C(C)C)on2)c1 ZINC001294098565 809460569 /nfs/dbraw/zinc/46/05/69/809460569.db2.gz CFGRINXVQZCZTA-UHFFFAOYSA-N -1 3 274.320 3.318 20 0 CGADHM Cc1cc(F)cc(-c2noc(-c3cc(Cl)n[n-]3)n2)c1F ZINC001213500738 815291396 /nfs/dbraw/zinc/29/13/96/815291396.db2.gz PYVWVIIRAADHAF-UHFFFAOYSA-N -1 3 296.664 3.367 20 0 CGADHM Cn1cc2cc(Nc3ncc(Cl)cc3[O-])ccc2n1 ZINC001175616754 809475361 /nfs/dbraw/zinc/47/53/61/809475361.db2.gz QFZOJODGPJCUEH-UHFFFAOYSA-N -1 3 274.711 3.071 20 0 CGADHM CCNC(=O)c1ccc(Nc2cc(F)c([O-])c(F)c2)cc1 ZINC001175633126 809481947 /nfs/dbraw/zinc/48/19/47/809481947.db2.gz YMWUFBDIGLUDSF-UHFFFAOYSA-N -1 3 292.285 3.164 20 0 CGADHM C[C@@H](Cc1ccco1)C(=O)Nc1cc(Cl)ccc1[O-] ZINC001295350655 809485505 /nfs/dbraw/zinc/48/55/05/809485505.db2.gz ISRTXOXXJFFSEO-VIFPVBQESA-N -1 3 279.723 3.456 20 0 CGADHM Cc1[nH]nc2cc([N-]c3nnc(C(C)C)o3)ccc21 ZINC001175660292 809495513 /nfs/dbraw/zinc/49/55/13/809495513.db2.gz VSHOQPCXQGBIQU-UHFFFAOYSA-N -1 3 257.297 3.121 20 0 CGADHM Cc1n[nH]c2cc([N-]c3nnc(C(C)C)o3)ccc12 ZINC001175660292 809495517 /nfs/dbraw/zinc/49/55/17/809495517.db2.gz VSHOQPCXQGBIQU-UHFFFAOYSA-N -1 3 257.297 3.121 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)Cc1c(C)cc(N(C)C)cc1C ZINC001298605978 809534690 /nfs/dbraw/zinc/53/46/90/809534690.db2.gz AYOPJFHVMHIVCW-LBPRGKRZSA-N -1 3 292.423 3.006 20 0 CGADHM CCc1cccc(CC(=O)Nc2cccc(C(C)=O)c2[O-])c1 ZINC001298743985 809538398 /nfs/dbraw/zinc/53/83/98/809538398.db2.gz CQXMIXJJOOXMIO-UHFFFAOYSA-N -1 3 297.354 3.338 20 0 CGADHM CCOc1ccc([N-]C(=O)c2cc(Cl)no2)c(F)c1 ZINC001299537722 809550550 /nfs/dbraw/zinc/55/05/50/809550550.db2.gz FGBWEIWQRYJSST-UHFFFAOYSA-N -1 3 284.674 3.118 20 0 CGADHM COc1cccc(Nc2ncc(F)cc2[O-])c1Cl ZINC001175894467 809565708 /nfs/dbraw/zinc/56/57/08/809565708.db2.gz RGWXMWPWHRAFSY-UHFFFAOYSA-N -1 3 268.675 3.332 20 0 CGADHM O=C(CCCOc1ccccc1)[N-]Oc1ccccc1F ZINC001303333055 809608477 /nfs/dbraw/zinc/60/84/77/809608477.db2.gz UUTWOIXWQKAUFQ-UHFFFAOYSA-N -1 3 289.306 3.095 20 0 CGADHM CCc1cccc(C(=O)Nc2cnc(C)c(C)c2)c1[O-] ZINC001176062861 809613360 /nfs/dbraw/zinc/61/33/60/809613360.db2.gz ACZBWPDANRVNFJ-UHFFFAOYSA-N -1 3 270.332 3.219 20 0 CGADHM FC(F)(F)c1ccc([S-])c(Nc2ncc[nH]2)c1 ZINC001176082571 809618022 /nfs/dbraw/zinc/61/80/22/809618022.db2.gz CXTFXTUDGWDFMF-UHFFFAOYSA-N -1 3 259.256 3.461 20 0 CGADHM [O-]c1c(F)cc(Br)cc1NC1=CCOCC1 ZINC001176146926 809635080 /nfs/dbraw/zinc/63/50/80/809635080.db2.gz JQZJHSCDKMVQPX-UHFFFAOYSA-N -1 3 288.116 3.010 20 0 CGADHM [O-]c1c(F)cc(F)c(Nc2cnc3ccccn23)c1F ZINC001176664118 809738910 /nfs/dbraw/zinc/73/89/10/809738910.db2.gz KYOPXVWTCCRGGH-UHFFFAOYSA-N -1 3 279.221 3.201 20 0 CGADHM O=c1ccc2cc(Nc3ncc(Cl)cc3[O-])ccc2[nH]1 ZINC001213767679 815329563 /nfs/dbraw/zinc/32/95/63/815329563.db2.gz HBVXZVUHRUNUAJ-UHFFFAOYSA-N -1 3 287.706 3.026 20 0 CGADHM CC(=O)c1cccc([O-])c1NC(=O)CCC(F)=C(F)F ZINC001180277863 809989151 /nfs/dbraw/zinc/98/91/51/809989151.db2.gz OKKPMSBTRWGWIY-UHFFFAOYSA-N -1 3 287.237 3.391 20 0 CGADHM CN(Cc1nc2ccccc2n1C)Cc1ccc([O-])c(F)c1 ZINC001180292489 809990209 /nfs/dbraw/zinc/99/02/09/809990209.db2.gz MQMFFZCJZKFYPL-UHFFFAOYSA-N -1 3 299.349 3.050 20 0 CGADHM CCC1(CC)C[C@@H]1C(=O)Nc1ccc(F)c([O-])c1 ZINC001181885116 810080129 /nfs/dbraw/zinc/08/01/29/810080129.db2.gz WQHIMFXOINFRER-SNVBAGLBSA-N -1 3 251.301 3.296 20 0 CGADHM C[C@@]1(C(=O)Nc2ccc(F)c([O-])c2)CC1(Cl)Cl ZINC001182143122 810095530 /nfs/dbraw/zinc/09/55/30/810095530.db2.gz VVSWEKUAEBVBMJ-JTQLQIEISA-N -1 3 278.110 3.054 20 0 CGADHM Cc1cc(C2CC2)ccc1Nc1cnc(C)[n-]c1=O ZINC001213864666 815340472 /nfs/dbraw/zinc/34/04/72/815340472.db2.gz UTTNWLQKVIKKFM-UHFFFAOYSA-N -1 3 255.321 3.420 20 0 CGADHM O=C(Nc1ccc(F)c([O-])c1)C(F)(F)c1ccc(F)cc1 ZINC001182890212 810129454 /nfs/dbraw/zinc/12/94/54/810129454.db2.gz JNIAVNHBXKUVNT-UHFFFAOYSA-N -1 3 299.223 3.401 20 0 CGADHM CCCOc1cncc(NCc2ccc([O-])c(F)c2)c1 ZINC001182961511 810132500 /nfs/dbraw/zinc/13/25/00/810132500.db2.gz ZWEATZMBESGXLT-UHFFFAOYSA-N -1 3 276.311 3.327 20 0 CGADHM CC(C)(CC1CCC1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC001183926654 810170394 /nfs/dbraw/zinc/17/03/94/810170394.db2.gz YUABQSSBLJEPDB-UHFFFAOYSA-N -1 3 299.378 3.022 20 0 CGADHM CC(C)(CC1CCC1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC001183926654 810170397 /nfs/dbraw/zinc/17/03/97/810170397.db2.gz YUABQSSBLJEPDB-UHFFFAOYSA-N -1 3 299.378 3.022 20 0 CGADHM CCC1(C(=O)Nc2cc(=O)[n-]c(C)n2)CCC(F)(F)CC1 ZINC001184636723 810212983 /nfs/dbraw/zinc/21/29/83/810212983.db2.gz XKROKFZVZVSLOH-UHFFFAOYSA-N -1 3 299.321 3.035 20 0 CGADHM O=C(Nc1ccc(Br)cc1[O-])NC1CCCC1 ZINC001185894342 810298910 /nfs/dbraw/zinc/29/89/10/810298910.db2.gz VJHBSYQWIGSWIY-UHFFFAOYSA-N -1 3 299.168 3.219 20 0 CGADHM CC(C)(C)[C@H]1CC[C@@H]([N-]S(=O)(=O)c2ccco2)CC1 ZINC001186885741 810370717 /nfs/dbraw/zinc/37/07/17/810370717.db2.gz WLSWCNABCDRSEH-TXEJJXNPSA-N -1 3 285.409 3.163 20 0 CGADHM O=C(Nc1cc([O-])cc(Cl)c1)c1nnsc1C1CC1 ZINC001188093143 810452925 /nfs/dbraw/zinc/45/29/25/810452925.db2.gz PKPCDSLDSHVJEQ-UHFFFAOYSA-N -1 3 295.751 3.027 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CCCC2(CC(F)C2)CC1 ZINC001188646837 810498703 /nfs/dbraw/zinc/49/87/03/810498703.db2.gz IMAHEWWFEUBVKY-UHFFFAOYSA-N -1 3 291.366 3.445 20 0 CGADHM O=C(NCCCc1ccccc1)Nc1ccc(F)c([O-])c1 ZINC001191200475 810688341 /nfs/dbraw/zinc/68/83/41/810688341.db2.gz YPNBYRDVPNEAPP-UHFFFAOYSA-N -1 3 288.322 3.286 20 0 CGADHM Cc1ccc(O)cc1Nc1ccc([O-])c(F)c1F ZINC001214346042 815398799 /nfs/dbraw/zinc/39/87/99/815398799.db2.gz WTPIGIMPIUQGCY-UHFFFAOYSA-N -1 3 251.232 3.428 20 0 CGADHM COCOc1ccc(Cl)cc1[N-]c1nonc1C1CC1 ZINC001214420909 815406710 /nfs/dbraw/zinc/40/67/10/815406710.db2.gz VKPNVFKPKCEENV-UHFFFAOYSA-N -1 3 295.726 3.327 20 0 CGADHM Cc1cc(O)cc([O-])c1C(=O)Nc1cc2ccccc2n1C ZINC001193923192 810980722 /nfs/dbraw/zinc/98/07/22/810980722.db2.gz ZEMXIFQFCOLMLD-UHFFFAOYSA-N -1 3 296.326 3.150 20 0 CGADHM Cc1ccc(OC(=O)Nc2ccc(F)c([O-])c2)cc1 ZINC001194458040 811079154 /nfs/dbraw/zinc/07/91/54/811079154.db2.gz GOJDSUQIGMAFKX-UHFFFAOYSA-N -1 3 261.252 3.451 20 0 CGADHM [O-]c1ccc(Cl)c(Nc2ccc(CCO)cc2)c1F ZINC001214560035 815424503 /nfs/dbraw/zinc/42/45/03/815424503.db2.gz ZEOPMFGTFIDUBE-UHFFFAOYSA-N -1 3 281.714 3.463 20 0 CGADHM [O-]c1ccc(Cl)c(Nc2ccc(F)nc2)c1F ZINC001214554060 815423158 /nfs/dbraw/zinc/42/31/58/815423158.db2.gz JAVFCXCIGXBBNS-UHFFFAOYSA-N -1 3 256.639 3.462 20 0 CGADHM [O-]c1ccc(Cl)c(Nc2cncnc2Cl)c1F ZINC001214554575 815423264 /nfs/dbraw/zinc/42/32/64/815423264.db2.gz VEECGNGIJBUREL-UHFFFAOYSA-N -1 3 274.082 3.372 20 0 CGADHM O=C(Nc1ccc(F)c([O-])c1)c1nc(-c2ccccc2)c[nH]1 ZINC001195347178 811246100 /nfs/dbraw/zinc/24/61/00/811246100.db2.gz WXFMCTCKUYISEQ-UHFFFAOYSA-N -1 3 297.289 3.174 20 0 CGADHM CC(=O)c1ccccc1[N-]C(=S)NC(=O)c1ccccc1 ZINC001195414598 811253079 /nfs/dbraw/zinc/25/30/79/811253079.db2.gz QOWQRLFHUGMNGW-UHFFFAOYSA-N -1 3 298.367 3.016 20 0 CGADHM CCC[C@@H](C)c1cc(NC(=S)[N-]C(=O)OCC)on1 ZINC001195454719 811256278 /nfs/dbraw/zinc/25/62/78/811256278.db2.gz LHJDHISNWRPCDH-MRVPVSSYSA-N -1 3 285.369 3.021 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2ccc(C3CCC3)nc2)n1 ZINC001199284330 811569563 /nfs/dbraw/zinc/56/95/63/811569563.db2.gz WCEBOFHNVRAGKT-UHFFFAOYSA-N -1 3 283.331 3.010 20 0 CGADHM CCCCCNC(=S)Nc1nc2c(cccc2[O-])s1 ZINC001200041445 811626884 /nfs/dbraw/zinc/62/68/84/811626884.db2.gz LPFMQXPFEUXBPP-UHFFFAOYSA-N -1 3 295.433 3.479 20 0 CGADHM Cc1cc([O-])c(Cl)cc1O[C@@H]1CCO[C@H](C)C1 ZINC001233595133 818653252 /nfs/dbraw/zinc/65/32/52/818653252.db2.gz QLPVTJFGPYXRPX-NXEZZACHSA-N -1 3 256.729 3.300 20 0 CGADHM Nc1ccc(Nc2cc(Cl)c([O-])cc2Cl)cn1 ZINC001201286182 811807492 /nfs/dbraw/zinc/80/74/92/811807492.db2.gz YCXGSPQENNRJOT-UHFFFAOYSA-N -1 3 270.119 3.420 20 0 CGADHM COc1ccc(-c2noc(-c3ccccc3[O-])n2)cc1F ZINC001215139654 815488093 /nfs/dbraw/zinc/48/80/93/815488093.db2.gz JOESPKIUPVQQNK-UHFFFAOYSA-N -1 3 286.262 3.257 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])Nc1cc(F)ccc1F ZINC001202657685 812147532 /nfs/dbraw/zinc/14/75/32/812147532.db2.gz AMSFGBRHEIHQIG-UHFFFAOYSA-N -1 3 282.221 3.454 20 0 CGADHM CCc1ccc(NC(=O)Nc2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC001202933895 812203202 /nfs/dbraw/zinc/20/32/02/812203202.db2.gz BTIOMKSNGNIANZ-UHFFFAOYSA-N -1 3 298.346 3.266 20 0 CGADHM NC(=O)c1ccc(Nc2csc3ccccc23)cc1[O-] ZINC001202966920 812211411 /nfs/dbraw/zinc/21/14/11/812211411.db2.gz XAXMAHVYFABHGD-UHFFFAOYSA-N -1 3 284.340 3.449 20 0 CGADHM COC(=O)c1c([N-]c2cnoc2)scc1C(F)(F)F ZINC001203234476 812276625 /nfs/dbraw/zinc/27/66/25/812276625.db2.gz RAPGSTSDLGZLJP-UHFFFAOYSA-N -1 3 292.238 3.285 20 0 CGADHM Cc1nc(Cl)c(Nc2cc(F)c([O-])cc2F)nc1C ZINC001215571780 815537739 /nfs/dbraw/zinc/53/77/39/815537739.db2.gz GRTWCHLVMLHJMA-UHFFFAOYSA-N -1 3 285.681 3.474 20 0 CGADHM Nc1ccc2c(c1)CCCN2c1cc(F)c([O-])cc1F ZINC001215576359 815539962 /nfs/dbraw/zinc/53/99/62/815539962.db2.gz XAUFNNYDWLEOND-UHFFFAOYSA-N -1 3 276.286 3.337 20 0 CGADHM Cc1cc(OC(C)C)cc(C)c1Nc1cnc[n-]c1=O ZINC001215688197 815558576 /nfs/dbraw/zinc/55/85/76/815558576.db2.gz ZLBQZIIAEKUSFG-UHFFFAOYSA-N -1 3 273.336 3.330 20 0 CGADHM OCc1ccc(C(F)(F)F)cc1[N-]c1nonc1C1CC1 ZINC001215682853 815558270 /nfs/dbraw/zinc/55/82/70/815558270.db2.gz RTDPYYQFSZKRJE-UHFFFAOYSA-N -1 3 299.252 3.202 20 0 CGADHM COc1cc(Nc2ncc(F)cc2[O-])cc(C)c1F ZINC001215704068 815562249 /nfs/dbraw/zinc/56/22/49/815562249.db2.gz WNOYVOMMNMWJLC-UHFFFAOYSA-N -1 3 266.247 3.126 20 0 CGADHM Oc1ccc2cc(-c3ccc(=S)[n-]n3)ccc2c1 ZINC001205738121 813065251 /nfs/dbraw/zinc/06/52/51/813065251.db2.gz OFRLOLQCNDUSSV-UHFFFAOYSA-N -1 3 254.314 3.291 20 0 CGADHM Cc1cc(-c2ccc([O-])cc2F)nc(C(F)(F)F)n1 ZINC001206021069 813167782 /nfs/dbraw/zinc/16/77/82/813167782.db2.gz DKEZSKNHIATJED-UHFFFAOYSA-N -1 3 272.201 3.316 20 0 CGADHM CCCCN(C)c1cncc(-c2ccc([O-])cc2F)n1 ZINC001206044702 813179104 /nfs/dbraw/zinc/17/91/04/813179104.db2.gz SDLKDKLXLWKGLP-UHFFFAOYSA-N -1 3 275.327 3.225 20 0 CGADHM CC[C@@H](C)Oc1nccnc1-c1ccc([O-])cc1F ZINC001206044944 813179124 /nfs/dbraw/zinc/17/91/24/813179124.db2.gz UOJHGXDQLACFAO-SECBINFHSA-N -1 3 262.284 3.166 20 0 CGADHM [O-]c1ccc(-c2ccc(C(F)(F)F)n3ncnc23)c(F)c1 ZINC001206088484 813195823 /nfs/dbraw/zinc/19/58/23/813195823.db2.gz MBIFTNYBAOOUEI-UHFFFAOYSA-N -1 3 297.211 3.260 20 0 CGADHM COC(=O)c1ccc(-c2ccc([O-])cc2F)c(F)c1F ZINC001206089258 813197525 /nfs/dbraw/zinc/19/75/25/813197525.db2.gz ZBXGOWUWVSZMSI-UHFFFAOYSA-N -1 3 282.217 3.263 20 0 CGADHM CC(=O)c1ccc(Nc2cc([O-])cc(F)c2)cc1O ZINC001206851055 813451127 /nfs/dbraw/zinc/45/11/27/813451127.db2.gz IVZLZLRGXMFSTE-UHFFFAOYSA-N -1 3 261.252 3.183 20 0 CGADHM COC(=O)c1cc(Cl)sc1[N-]c1ncccc1F ZINC001209810186 814151200 /nfs/dbraw/zinc/15/12/00/814151200.db2.gz OFFQFDSOCAODNP-UHFFFAOYSA-N -1 3 286.715 3.466 20 0 CGADHM [O-]c1ccc(Nc2ccc(F)c(CO)c2)c(F)c1F ZINC001209878902 814184752 /nfs/dbraw/zinc/18/47/52/814184752.db2.gz HMFQGZOYGZOKNP-UHFFFAOYSA-N -1 3 269.222 3.045 20 0 CGADHM Nc1cccc2c(Cl)nn(-c3ccc(F)cc3[O-])c21 ZINC001210020330 814248045 /nfs/dbraw/zinc/24/80/45/814248045.db2.gz NYAVOBIRMHIXFW-UHFFFAOYSA-N -1 3 277.686 3.106 20 0 CGADHM CC(C)c1nnc([N-]c2ccc3cnccc3c2)o1 ZINC001210044285 814261886 /nfs/dbraw/zinc/26/18/86/814261886.db2.gz OHXNBMLOFMFJOG-UHFFFAOYSA-N -1 3 254.293 3.485 20 0 CGADHM COc1cnc(Cl)c(Nc2cccc(Cl)c2[O-])n1 ZINC001210220802 814347943 /nfs/dbraw/zinc/34/79/43/814347943.db2.gz RJMDRLJIVUHHOT-UHFFFAOYSA-N -1 3 286.118 3.241 20 0 CGADHM O=C1COc2c(Nc3cccc(Cl)c3[O-])cccc2N1 ZINC001210221952 814349782 /nfs/dbraw/zinc/34/97/82/814349782.db2.gz FZYSVJFPOHZNKE-UHFFFAOYSA-N -1 3 290.706 3.120 20 0 CGADHM [O-]c1cc(F)cnc1Nc1cccnc1C(F)(F)F ZINC001210233744 814358185 /nfs/dbraw/zinc/35/81/85/814358185.db2.gz RCZJDFKAWDLUNT-UHFFFAOYSA-N -1 3 273.189 3.084 20 0 CGADHM CC(C)n1cc(Nc2cc(F)c([O-])c(F)c2)cn1 ZINC001210323159 814405387 /nfs/dbraw/zinc/40/53/87/814405387.db2.gz BCDZMSGDPRXTOX-UHFFFAOYSA-N -1 3 253.252 3.191 20 0 CGADHM Cn1ccc(Nc2cc(Cl)c(Cl)cc2[O-])n1 ZINC001210352988 814417540 /nfs/dbraw/zinc/41/75/40/814417540.db2.gz LXVQHKAUWKTTJS-UHFFFAOYSA-N -1 3 258.108 3.176 20 0 CGADHM CN1CCc2ccc(Nc3ccccc3C(=O)[O-])cc2C1 ZINC001210968693 814695391 /nfs/dbraw/zinc/69/53/91/814695391.db2.gz HPGHURMJCPINRG-UHFFFAOYSA-N -1 3 282.343 3.116 20 0 CGADHM CSc1ccc(Nc2cc(=O)[n-]c(=S)[nH]2)cc1F ZINC001211108750 814748606 /nfs/dbraw/zinc/74/86/06/814748606.db2.gz MAYAISZQJZALSA-UHFFFAOYSA-N -1 3 283.353 3.076 20 0 CGADHM c1ccc(-c2cccc(OC3CC3)c2)c(-c2nnn[n-]2)c1 ZINC001242805324 823139580 /nfs/dbraw/zinc/13/95/80/823139580.db2.gz AJJYZGVWDGCYLV-UHFFFAOYSA-N -1 3 278.315 3.075 20 0 CGADHM c1ccc(-c2cccc(OC3CC3)c2)c(-c2nn[n-]n2)c1 ZINC001242805324 823139582 /nfs/dbraw/zinc/13/95/82/823139582.db2.gz AJJYZGVWDGCYLV-UHFFFAOYSA-N -1 3 278.315 3.075 20 0 CGADHM Cc1nc(Nc2c(F)ccc(C3CC3)c2F)cc(=O)[n-]1 ZINC001215991503 815653857 /nfs/dbraw/zinc/65/38/57/815653857.db2.gz NRMDGJLSMMFYGN-UHFFFAOYSA-N -1 3 277.274 3.390 20 0 CGADHM Cc1cc(Nc2cc(=O)[n-]c(C3CC3)n2)cc(Cl)c1O ZINC001216084419 815688327 /nfs/dbraw/zinc/68/83/27/815688327.db2.gz UABHMYRAXDJAPS-UHFFFAOYSA-N -1 3 291.738 3.471 20 0 CGADHM Cc1c(F)cncc1[N-]c1nnc(C(C)(C)C)s1 ZINC001216190834 815729074 /nfs/dbraw/zinc/72/90/74/815729074.db2.gz RIZDCISLZSTVHT-UHFFFAOYSA-N -1 3 266.345 3.422 20 0 CGADHM COc1ccc(Nc2nc3c(cccc3[O-])s2)cc1N ZINC001216254329 815756648 /nfs/dbraw/zinc/75/66/48/815756648.db2.gz HWPXMMULCOFSMC-UHFFFAOYSA-N -1 3 287.344 3.336 20 0 CGADHM Cc1c(O)cccc1Nc1ncc(Cl)cc1[O-] ZINC001216319265 815779716 /nfs/dbraw/zinc/77/97/16/815779716.db2.gz SHOUHALMOUDVRS-UHFFFAOYSA-N -1 3 250.685 3.198 20 0 CGADHM Cc1ccc(-c2noc(-c3cc(O)ccc3[O-])n2)c(C)c1 ZINC001216735730 815894337 /nfs/dbraw/zinc/89/43/37/815894337.db2.gz SPIQOIIJLGIXAT-UHFFFAOYSA-N -1 3 282.299 3.432 20 0 CGADHM COc1cc([O-])ccc1-c1nc(-c2cccc(C)c2)no1 ZINC001217085150 815908609 /nfs/dbraw/zinc/90/86/09/815908609.db2.gz GSEFKURBABSFNR-UHFFFAOYSA-N -1 3 282.299 3.426 20 0 CGADHM COc1cc([O-])ccc1-c1nc(-c2ccccc2C)no1 ZINC001217084927 815908636 /nfs/dbraw/zinc/90/86/36/815908636.db2.gz AFNDXRMBXOYEJY-UHFFFAOYSA-N -1 3 282.299 3.426 20 0 CGADHM Cc1nc(-c2ccccc2C(=O)[O-])cc2[nH]ccc21 ZINC001242878693 823162499 /nfs/dbraw/zinc/16/24/99/823162499.db2.gz HUARSOTUIGJXNB-UHFFFAOYSA-N -1 3 252.273 3.237 20 0 CGADHM CCOc1ccc(F)c(-c2ccc(-c3nnn[n-]3)cc2C)c1 ZINC001242937723 823179992 /nfs/dbraw/zinc/17/99/92/823179992.db2.gz COSILXQLLBDWAK-UHFFFAOYSA-N -1 3 298.321 3.380 20 0 CGADHM CCOc1ccc(F)c(-c2ccc(-c3nn[n-]n3)cc2C)c1 ZINC001242937723 823179996 /nfs/dbraw/zinc/17/99/96/823179996.db2.gz COSILXQLLBDWAK-UHFFFAOYSA-N -1 3 298.321 3.380 20 0 CGADHM CSc1ccc(-c2ccccc2-c2nnn[n-]2)cc1F ZINC001242975780 823195988 /nfs/dbraw/zinc/19/59/88/823195988.db2.gz CBHYSDFWHPLULY-UHFFFAOYSA-N -1 3 286.335 3.395 20 0 CGADHM CSc1ccc(-c2ccccc2-c2nn[n-]n2)cc1F ZINC001242975780 823195990 /nfs/dbraw/zinc/19/59/90/823195990.db2.gz CBHYSDFWHPLULY-UHFFFAOYSA-N -1 3 286.335 3.395 20 0 CGADHM [O-]c1cc(-c2cncnc2C(F)(F)F)ccc1F ZINC001243046908 823224075 /nfs/dbraw/zinc/22/40/75/823224075.db2.gz APNBXLBRIDUXCW-UHFFFAOYSA-N -1 3 258.174 3.007 20 0 CGADHM CN1Cc2ccc(-c3ccc(F)c([O-])c3)cc2NC1=O ZINC001243047361 823224610 /nfs/dbraw/zinc/22/46/10/823224610.db2.gz QCPRMBPNFVEQHC-UHFFFAOYSA-N -1 3 272.279 3.176 20 0 CGADHM [O-]c1cc(-c2ccc3c(c2)C2(CC3)OCCO2)ccc1F ZINC001243049953 823226485 /nfs/dbraw/zinc/22/64/85/823226485.db2.gz JDDNIBUPDKUTBB-UHFFFAOYSA-N -1 3 286.302 3.344 20 0 CGADHM CCOC(=O)c1cc(-c2ccc(F)c([O-])c2)ncc1C ZINC001243054343 823229712 /nfs/dbraw/zinc/22/97/12/823229712.db2.gz NPCOVGFBYXEWEX-UHFFFAOYSA-N -1 3 275.279 3.078 20 0 CGADHM COCc1cc(-c2ccc(F)c([O-])c2)ccc1F ZINC001243063009 823233094 /nfs/dbraw/zinc/23/30/94/823233094.db2.gz RVYZILODLYVLJE-UHFFFAOYSA-N -1 3 250.244 3.484 20 0 CGADHM O=C1CC[C@H](Oc2ccc3c([O-])coc3c2)c2ccccc21 ZINC001225343379 817019066 /nfs/dbraw/zinc/01/90/66/817019066.db2.gz VGUJGKVUWYKIKV-KRWDZBQOSA-N -1 3 294.306 3.358 20 0 CGADHM O=c1nc(OC2CCCCCC2)c(C(F)(F)F)c[n-]1 ZINC001225580000 817099513 /nfs/dbraw/zinc/09/95/13/817099513.db2.gz RVXLCRGLXNXCRI-UHFFFAOYSA-N -1 3 276.258 3.303 20 0 CGADHM CC(C)[C@H](C)Oc1cc(C(F)(F)F)[n-]c(=S)n1 ZINC001225853910 817196965 /nfs/dbraw/zinc/19/69/65/817196965.db2.gz SSRBXXSSNMFWSX-LURJTMIESA-N -1 3 266.288 3.207 20 0 CGADHM CC(=O)c1ccc([O-])c(OC[C@H]2CCc3ccccc3O2)c1 ZINC001225997766 817243749 /nfs/dbraw/zinc/24/37/49/817243749.db2.gz GPKAQDYKRQYGSN-OAHLLOKOSA-N -1 3 298.338 3.367 20 0 CGADHM S=c1nc2c(c(O[C@H]3CCCc4cccnc43)[n-]1)CCC2 ZINC001226298158 817322016 /nfs/dbraw/zinc/32/20/16/817322016.db2.gz RDZQNZBVPFAOOQ-ZDUSSCGKSA-N -1 3 299.399 3.105 20 0 CGADHM Cc1cc(=O)oc2cc([O-])c(O[C@H]3CCCC[C@@H]3F)cc12 ZINC001226531331 817388145 /nfs/dbraw/zinc/38/81/45/817388145.db2.gz ADLRMZQUQXFHDY-AAEUAGOBSA-N -1 3 292.306 3.467 20 0 CGADHM Cc1cc(=O)oc2cc([O-])c(O[C@@H](C)c3cccnc3)cc12 ZINC001226533344 817388854 /nfs/dbraw/zinc/38/88/54/817388854.db2.gz CYAAVXBEZZEVCA-NSHDSACASA-N -1 3 297.310 3.342 20 0 CGADHM Cc1cc(=O)oc2cc([O-])c(O[C@H]3C[C@H]4C=C[C@@H]3C4)cc12 ZINC001226533068 817389612 /nfs/dbraw/zinc/38/96/12/817389612.db2.gz XZYNGXIADMJJNA-WDMOLILDSA-N -1 3 284.311 3.150 20 0 CGADHM Cc1cc(=O)oc2cc([O-])c(O[C@H](C)c3cccnc3)cc12 ZINC001226531572 817389874 /nfs/dbraw/zinc/38/98/74/817389874.db2.gz CYAAVXBEZZEVCA-LLVKDONJSA-N -1 3 297.310 3.342 20 0 CGADHM CC(C)C[C@@H](C)Oc1c([O-])ccc2ccc(=O)oc21 ZINC001226594814 817408568 /nfs/dbraw/zinc/40/85/68/817408568.db2.gz CIHQUQPBZNEEDD-SNVBAGLBSA-N -1 3 262.305 3.312 20 0 CGADHM CC[C@@H](Oc1c([O-])ccc2ccc(=O)oc21)C(C)C ZINC001226600551 817409765 /nfs/dbraw/zinc/40/97/65/817409765.db2.gz YAALNCUDIQOOMK-GFCCVEGCSA-N -1 3 262.305 3.312 20 0 CGADHM C[C@@H](Oc1c([O-])ccc2ccc(=O)oc21)C1CCCC1 ZINC001226599824 817410119 /nfs/dbraw/zinc/41/01/19/817410119.db2.gz OQQJRTRKLYNIJO-SNVBAGLBSA-N -1 3 274.316 3.456 20 0 CGADHM Cc1ccc(C)c2c1CCC[C@H]2Oc1cc(=O)[n-]cn1 ZINC001226944944 817512384 /nfs/dbraw/zinc/51/23/84/817512384.db2.gz LRZGPYVJQLTHCL-CYBMUJFWSA-N -1 3 270.332 3.255 20 0 CGADHM C[C@H](Oc1cnc[n-]c1=O)c1csc(Cl)c1 ZINC001227049184 817543736 /nfs/dbraw/zinc/54/37/36/817543736.db2.gz QWJXVOUZBNYILS-LURJTMIESA-N -1 3 256.714 3.037 20 0 CGADHM CC[C@@H](COc1c([O-])cc(Br)cc1F)OC ZINC001227586593 817675911 /nfs/dbraw/zinc/67/59/11/817675911.db2.gz BOXOHTQGOCKVQS-QMMMGPOBSA-N -1 3 293.132 3.098 20 0 CGADHM C[C@@H]1CC[C@@H](Oc2cc(=O)cc(C(F)(F)F)[n-]2)C1 ZINC001227586515 817676075 /nfs/dbraw/zinc/67/60/75/817676075.db2.gz MRSOZQCGMCALPF-VXNVDRBHSA-N -1 3 261.243 3.373 20 0 CGADHM Cc1ccc2c(c1)CC[C@H]2Oc1[nH]c(=S)nc2nc[n-]c21 ZINC001227612662 817682182 /nfs/dbraw/zinc/68/21/82/817682182.db2.gz FQGWGVLAVDABRY-LLVKDONJSA-N -1 3 298.371 3.016 20 0 CGADHM CCCc1c([O-])ccc(C(C)=O)c1O[C@@H](C)COCC ZINC001228134361 817820759 /nfs/dbraw/zinc/82/07/59/817820759.db2.gz OABOJOOBNHHIEE-NSHDSACASA-N -1 3 280.364 3.351 20 0 CGADHM c1ccc2c(c1)CCC[C@@H]2Oc1n[n-]c(-c2ccncc2)n1 ZINC001228697091 817977018 /nfs/dbraw/zinc/97/70/18/817977018.db2.gz HLJLFONWIDMPDX-HNNXBMFYSA-N -1 3 292.342 3.323 20 0 CGADHM C[C@@H]1CC[C@H](C)[C@H](Oc2n[n-]c(-c3ccncc3)n2)C1 ZINC001228697131 817977334 /nfs/dbraw/zinc/97/73/34/817977334.db2.gz IEACPIWCZIDQSI-NTZNESFSSA-N -1 3 272.352 3.070 20 0 CGADHM C[C@@H]1CC[C@H](Oc2n[n-]c(-c3ccncc3)n2)C[C@H]1C ZINC001228697684 817977530 /nfs/dbraw/zinc/97/75/30/817977530.db2.gz NZDSVYCBBBCQGY-WZRBSPASSA-N -1 3 272.352 3.070 20 0 CGADHM C[C@@H]1CCC[C@H](Oc2nnc(-c3cccnc3)[n-]2)[C@H]1C ZINC001228699574 817979859 /nfs/dbraw/zinc/97/98/59/817979859.db2.gz ZVRCTSYADSOGFV-MDZLAQPJSA-N -1 3 272.352 3.070 20 0 CGADHM C[C@@H]1CCC[C@H](Oc2nc(-c3cccnc3)n[n-]2)[C@H]1C ZINC001228699574 817979866 /nfs/dbraw/zinc/97/98/66/817979866.db2.gz ZVRCTSYADSOGFV-MDZLAQPJSA-N -1 3 272.352 3.070 20 0 CGADHM C[C@@H]1CCC[C@H](Oc2n[n-]c(-c3cccnc3)n2)[C@H]1C ZINC001228699574 817979873 /nfs/dbraw/zinc/97/98/73/817979873.db2.gz ZVRCTSYADSOGFV-MDZLAQPJSA-N -1 3 272.352 3.070 20 0 CGADHM C[C@H](Oc1cc2c(cc1[O-])CCC2=O)c1ccncc1F ZINC001228854555 818023660 /nfs/dbraw/zinc/02/36/60/818023660.db2.gz SIWHWFBIDXVUMM-VIFPVBQESA-N -1 3 287.290 3.195 20 0 CGADHM O=C1CCc2cc([O-])c(O[C@@H]3CCCc4cccnc43)cc21 ZINC001228859037 818025596 /nfs/dbraw/zinc/02/55/96/818025596.db2.gz UNBFIRRXYNNBCB-MRXNPFEDSA-N -1 3 295.338 3.373 20 0 CGADHM CCC(CC)[C@@H](CC)Oc1cccc(-c2nnn[n-]2)c1 ZINC001231117763 818034870 /nfs/dbraw/zinc/03/48/70/818034870.db2.gz GALVFDRHDPVQRH-CQSZACIVSA-N -1 3 274.368 3.460 20 0 CGADHM CCC(CC)[C@@H](CC)Oc1cccc(-c2nn[n-]n2)c1 ZINC001231117763 818034875 /nfs/dbraw/zinc/03/48/75/818034875.db2.gz GALVFDRHDPVQRH-CQSZACIVSA-N -1 3 274.368 3.460 20 0 CGADHM Cc1cccc([C@H](C)Oc2cccc(-c3nnn[n-]3)c2)c1 ZINC001231118750 818036104 /nfs/dbraw/zinc/03/61/04/818036104.db2.gz UUEBAAGAUUFQQC-LBPRGKRZSA-N -1 3 280.331 3.315 20 0 CGADHM Cc1cccc([C@H](C)Oc2cccc(-c3nn[n-]n3)c2)c1 ZINC001231118750 818036111 /nfs/dbraw/zinc/03/61/11/818036111.db2.gz UUEBAAGAUUFQQC-LBPRGKRZSA-N -1 3 280.331 3.315 20 0 CGADHM CCN(Cc1ccccc1)Cc1ccccc1OCC(=O)[O-] ZINC001231790554 818177936 /nfs/dbraw/zinc/17/79/36/818177936.db2.gz XYHRSUXRNHIUOM-UHFFFAOYSA-N -1 3 299.370 3.172 20 0 CGADHM C[C@]1(CF)CCN(Cc2cccc([O-])c2Cl)C1 ZINC001232783767 818437183 /nfs/dbraw/zinc/43/71/83/818437183.db2.gz AWDPNBCRTRQFSA-CYBMUJFWSA-N -1 3 257.736 3.227 20 0 CGADHM [O-]c1c(F)ccc(CN2CCC23CCCC3)c1F ZINC001232934332 818475007 /nfs/dbraw/zinc/47/50/07/818475007.db2.gz REPOWXXEKDHPGK-UHFFFAOYSA-N -1 3 253.292 3.189 20 0 CGADHM COC(C)(C)[C@@H]1CCCN1Cc1cc([O-])c(F)c(F)c1 ZINC001232973247 818487559 /nfs/dbraw/zinc/48/75/59/818487559.db2.gz QMWKMOWBLDQMFT-ZDUSSCGKSA-N -1 3 285.334 3.060 20 0 CGADHM C[C@H]1CCCN(Cc2cc(Cl)ncc2[O-])CC1 ZINC001233033049 818506155 /nfs/dbraw/zinc/50/61/55/818506155.db2.gz YJLAKUMXCQNUIZ-JTQLQIEISA-N -1 3 254.761 3.063 20 0 CGADHM [O-]c1cccc(CN2CCCC(F)(F)CC2)c1F ZINC001233050222 818509634 /nfs/dbraw/zinc/50/96/34/818509634.db2.gz MUTOMYSVWZBCGL-UHFFFAOYSA-N -1 3 259.271 3.153 20 0 CGADHM [O-]c1cccc(CN2CCOC[C@@H]2C2CCCCC2)c1F ZINC001233054577 818512248 /nfs/dbraw/zinc/51/22/48/818512248.db2.gz SCQUQVJXTPJNKL-OAHLLOKOSA-N -1 3 293.382 3.312 20 0 CGADHM CN(CCC(=O)c1ccccc1)Cc1cccc([O-])c1F ZINC001233052249 818513025 /nfs/dbraw/zinc/51/30/25/818513025.db2.gz BAPISJLLULNKPM-UHFFFAOYSA-N -1 3 287.334 3.236 20 0 CGADHM [O-]c1ccc(F)c(CN2CC[C@@H](CF)C(F)(F)C2)c1F ZINC001233393295 818608395 /nfs/dbraw/zinc/60/83/95/818608395.db2.gz MWJNGZQHBQMHTM-QMMMGPOBSA-N -1 3 295.251 3.097 20 0 CGADHM [O-]c1ccc(F)c(CN2CC[C@H](CF)C(F)(F)C2)c1F ZINC001233393294 818609069 /nfs/dbraw/zinc/60/90/69/818609069.db2.gz MWJNGZQHBQMHTM-MRVPVSSYSA-N -1 3 295.251 3.097 20 0 CGADHM [O-]c1ccc(F)c(CN2CC[C@H](C(F)(F)F)C2)c1F ZINC001233395905 818610335 /nfs/dbraw/zinc/61/03/35/818610335.db2.gz YKHZQKVNBMATKD-ZETCQYMHSA-N -1 3 281.224 3.055 20 0 CGADHM CCOC(=O)[C@@H](Oc1cc([O-])cc(F)c1)c1ccccc1 ZINC001233820759 818712417 /nfs/dbraw/zinc/71/24/17/818712417.db2.gz VKSQHYKAQZNYFP-HNNXBMFYSA-N -1 3 290.290 3.215 20 0 CGADHM COc1ccc2c(c1)CC[C@@H](Oc1cccc([O-])c1F)C2 ZINC001233870036 818720552 /nfs/dbraw/zinc/72/05/52/818720552.db2.gz RYAPNHSHKZAZEV-CQSZACIVSA-N -1 3 288.318 3.476 20 0 CGADHM CC1(C)CC(=O)CC[C@H]1Oc1cccc([O-])c1F ZINC001233871476 818721969 /nfs/dbraw/zinc/72/19/69/818721969.db2.gz OVPXWXXLPMOWQP-GFCCVEGCSA-N -1 3 252.285 3.058 20 0 CGADHM CCOC(=O)[C@H]1CCC[C@@H](Oc2cccc([O-])c2F)C1 ZINC001233873138 818722271 /nfs/dbraw/zinc/72/22/71/818722271.db2.gz WFIKFJXOFIKYCJ-WDEREUQCSA-N -1 3 282.311 3.032 20 0 CGADHM CCC[C@H]1CCCC[C@H]1Oc1cccc([O-])c1C(N)=O ZINC001234149090 818792226 /nfs/dbraw/zinc/79/22/26/818792226.db2.gz MEFOTOVOBPKGKV-WCQYABFASA-N -1 3 277.364 3.229 20 0 CGADHM Cc1ccc([C@@H](C)Oc2nc3c(cccc3[O-])[nH]2)cn1 ZINC001234448586 818857870 /nfs/dbraw/zinc/85/78/70/818857870.db2.gz WSYBNWGODRAUCI-SNVBAGLBSA-N -1 3 269.304 3.112 20 0 CGADHM C[C@H](COCc1ccccc1)Oc1nc2c(cccc2[O-])[nH]1 ZINC001234447239 818858080 /nfs/dbraw/zinc/85/80/80/818858080.db2.gz LPZLCPPKGKKVCP-GFCCVEGCSA-N -1 3 298.342 3.253 20 0 CGADHM C[C@H](Oc1nc[n-]c(=O)c1-c1ccccc1)c1ccccn1 ZINC001234692675 818917211 /nfs/dbraw/zinc/91/72/11/818917211.db2.gz QXEYWHGCUSEUGY-LBPRGKRZSA-N -1 3 293.326 3.384 20 0 CGADHM c1cc2nc(OC[C@@H]3CCc4ccccc4O3)[n-]c2s1 ZINC001234851165 818933900 /nfs/dbraw/zinc/93/39/00/818933900.db2.gz GCNXIKOPDVGRDS-NSHDSACASA-N -1 3 286.356 3.397 20 0 CGADHM c1cc2[n-]c(OC[C@@H]3CCc4ccccc4O3)nc2s1 ZINC001234851165 818933911 /nfs/dbraw/zinc/93/39/11/818933911.db2.gz GCNXIKOPDVGRDS-NSHDSACASA-N -1 3 286.356 3.397 20 0 CGADHM COC1=CC[C@H](Oc2nc3ccsc3[n-]2)CC1 ZINC001234854823 818935767 /nfs/dbraw/zinc/93/57/67/818935767.db2.gz NCDWZBQMPLMZQD-VIFPVBQESA-N -1 3 250.323 3.086 20 0 CGADHM COC1=CC[C@H](Oc2nc3sccc3[n-]2)CC1 ZINC001234854823 818935773 /nfs/dbraw/zinc/93/57/73/818935773.db2.gz NCDWZBQMPLMZQD-VIFPVBQESA-N -1 3 250.323 3.086 20 0 CGADHM C[C@@H](Oc1nc(=O)[n-]c2c1SCCC2)c1cccs1 ZINC001234905270 818949392 /nfs/dbraw/zinc/94/93/92/818949392.db2.gz CTMVXFVCSHDWNH-MRVPVSSYSA-N -1 3 294.401 3.422 20 0 CGADHM Cc1cc(-c2cc([O-])cc(Cl)c2)nc2[nH]cnc21 ZINC001235898194 819208236 /nfs/dbraw/zinc/20/82/36/819208236.db2.gz CVUDSVJTDRVXIN-UHFFFAOYSA-N -1 3 259.696 3.292 20 0 CGADHM CCOC(=O)c1cc(F)cnc1-c1cc([O-])cc(Cl)c1 ZINC001235899527 819208795 /nfs/dbraw/zinc/20/87/95/819208795.db2.gz HUKFFZRIPRTKDP-UHFFFAOYSA-N -1 3 295.697 3.423 20 0 CGADHM [O-]c1cc(Cl)cc(-c2cnc3c(n2)CCCC3)c1 ZINC001235901072 819211171 /nfs/dbraw/zinc/21/11/71/819211171.db2.gz QLUKTCQOZICNPP-UHFFFAOYSA-N -1 3 260.724 3.381 20 0 CGADHM Cc1noc(-c2cccnc2-c2cc([O-])cc(Cl)c2)n1 ZINC001235901569 819212553 /nfs/dbraw/zinc/21/25/53/819212553.db2.gz WEZSTMNYGKVSCA-UHFFFAOYSA-N -1 3 287.706 3.466 20 0 CGADHM O=c1ccc(-c2cc([O-])cc(Cl)c2)nn1-c1ccccc1 ZINC001235904325 819214387 /nfs/dbraw/zinc/21/43/87/819214387.db2.gz MWLUYOIXLTUVLA-UHFFFAOYSA-N -1 3 298.729 3.259 20 0 CGADHM COc1cc2[nH]cnc2cc1-c1c(F)cc(F)c([O-])c1F ZINC001235996665 819266065 /nfs/dbraw/zinc/26/60/65/819266065.db2.gz LGTDYHWYHNDVTJ-UHFFFAOYSA-N -1 3 294.232 3.361 20 0 CGADHM [O-]c1cc(CN2CCC(F)CC2)ccc1Br ZINC001236692481 819574820 /nfs/dbraw/zinc/57/48/20/819574820.db2.gz QVJRZQVBYMPMEN-UHFFFAOYSA-N -1 3 288.160 3.089 20 0 CGADHM CN1CCOc2ccc(-c3cc(F)cc(F)c3[O-])cc21 ZINC001243506656 823423965 /nfs/dbraw/zinc/42/39/65/823423965.db2.gz HRPRPHAIGFXDQO-UHFFFAOYSA-N -1 3 277.270 3.166 20 0 CGADHM Cc1cccc(CN(C)Cc2sc(=O)[n-]c2Cl)c1 ZINC001237163133 819686286 /nfs/dbraw/zinc/68/62/86/819686286.db2.gz YJPRMKICXLRGGM-UHFFFAOYSA-N -1 3 282.796 3.443 20 0 CGADHM Cc1cccc2c1CN(Cc1sc(=O)[n-]c1Cl)C2 ZINC001237163254 819686582 /nfs/dbraw/zinc/68/65/82/819686582.db2.gz ZRSUGJFANZFXGF-UHFFFAOYSA-N -1 3 280.780 3.326 20 0 CGADHM CN(Cc1ccc(-c2cc(F)cc(F)c2[O-])nc1)C1CC1 ZINC001243501061 823420882 /nfs/dbraw/zinc/42/08/82/823420882.db2.gz CFWOBJFJNYDBOY-UHFFFAOYSA-N -1 3 290.313 3.327 20 0 CGADHM COc1cc(-c2cccc([O-])c2F)cc(F)c1F ZINC001243545054 823437305 /nfs/dbraw/zinc/43/73/05/823437305.db2.gz OXPMVICPJFJYGA-UHFFFAOYSA-N -1 3 254.207 3.485 20 0 CGADHM CC(C)(C)c1nc2c(ncnc2-c2cccc([O-])c2F)[nH]1 ZINC001243545655 823438011 /nfs/dbraw/zinc/43/80/11/823438011.db2.gz ANEFODBTKLOJCE-UHFFFAOYSA-N -1 3 286.310 3.162 20 0 CGADHM C[C@@H]1CCCN(c2cc(-c3cccc([O-])c3F)ncn2)C1 ZINC001243546363 823438620 /nfs/dbraw/zinc/43/86/20/823438620.db2.gz LEVGOCXXEMQPQO-LLVKDONJSA-N -1 3 287.338 3.225 20 0 CGADHM COC(=O)/C=C/c1ccc(-c2cccc([O-])c2F)cc1 ZINC001243546566 823438983 /nfs/dbraw/zinc/43/89/83/823438983.db2.gz PMCHCIAVPFBKJV-JXMROGBWSA-N -1 3 272.275 3.385 20 0 CGADHM [O-]c1cccc(-c2ccnc(OCC3CC3)c2)c1F ZINC001243546339 823439039 /nfs/dbraw/zinc/43/90/39/823439039.db2.gz NSFFQXAQGMWZDJ-UHFFFAOYSA-N -1 3 259.280 3.382 20 0 CGADHM Cc1cc(C(=O)[O-])ccc1CN(C)Cc1cccc(O)c1 ZINC001238142242 819940939 /nfs/dbraw/zinc/94/09/39/819940939.db2.gz QFDMVGMFNVKUDY-UHFFFAOYSA-N -1 3 285.343 3.031 20 0 CGADHM [O-]c1cc(F)c(CN2C[C@H]3CCC[C@@H]3C2)cc1Cl ZINC001238142606 819941250 /nfs/dbraw/zinc/94/12/50/819941250.db2.gz HNKWBBKEBJJBMU-NXEZZACHSA-N -1 3 269.747 3.417 20 0 CGADHM O=C(c1cccc(-c2ccc(=S)[n-]n2)c1)C(F)(F)F ZINC001239380329 820291889 /nfs/dbraw/zinc/29/18/89/820291889.db2.gz KXZSNFGVABXZSE-UHFFFAOYSA-N -1 3 284.262 3.177 20 0 CGADHM Cc1cc(C)c(-c2cccc(-c3nnn[n-]3)c2)c(C)c1 ZINC001239549321 820401425 /nfs/dbraw/zinc/40/14/25/820401425.db2.gz FDFYWMMJULLVHO-UHFFFAOYSA-N -1 3 264.332 3.459 20 0 CGADHM Cc1cc(C)c(-c2cccc(-c3nn[n-]n3)c2)c(C)c1 ZINC001239549321 820401429 /nfs/dbraw/zinc/40/14/29/820401429.db2.gz FDFYWMMJULLVHO-UHFFFAOYSA-N -1 3 264.332 3.459 20 0 CGADHM Fc1cc(-c2ccnc3ccccc32)ccc1-c1nnn[n-]1 ZINC001239854067 820660159 /nfs/dbraw/zinc/66/01/59/820660159.db2.gz ZQIQXLIFJPJKBZ-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Fc1cc(-c2ccnc3ccccc32)ccc1-c1nn[n-]n1 ZINC001239854067 820660162 /nfs/dbraw/zinc/66/01/62/820660162.db2.gz ZQIQXLIFJPJKBZ-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM S=c1ccc(-c2cccc(N3CCCC3)c2)n[n-]1 ZINC001240533933 821129119 /nfs/dbraw/zinc/12/91/19/821129119.db2.gz ATPTUGQXBHAEGQ-UHFFFAOYSA-N -1 3 257.362 3.033 20 0 CGADHM Fc1cc(-c2cccc3[nH]ccc32)ccc1-c1nnn[n-]1 ZINC001240712209 821268314 /nfs/dbraw/zinc/26/83/14/821268314.db2.gz CQTHNRMQFXNBMF-UHFFFAOYSA-N -1 3 279.278 3.154 20 0 CGADHM Fc1cc(-c2cccc3[nH]ccc32)ccc1-c1nn[n-]n1 ZINC001240712209 821268318 /nfs/dbraw/zinc/26/83/18/821268318.db2.gz CQTHNRMQFXNBMF-UHFFFAOYSA-N -1 3 279.278 3.154 20 0 CGADHM Cc1ccc(-c2cccc(F)c2C)cc1-c1nnn[n-]1 ZINC001240732622 821286426 /nfs/dbraw/zinc/28/64/26/821286426.db2.gz SRRZCRNSZLWDEA-UHFFFAOYSA-N -1 3 268.295 3.290 20 0 CGADHM Cc1ccc(-c2cccc(F)c2C)cc1-c1nn[n-]n1 ZINC001240732622 821286428 /nfs/dbraw/zinc/28/64/28/821286428.db2.gz SRRZCRNSZLWDEA-UHFFFAOYSA-N -1 3 268.295 3.290 20 0 CGADHM Fc1cc(-c2ccc3cc[nH]c3c2)ccc1-c1nnn[n-]1 ZINC001240797967 821342218 /nfs/dbraw/zinc/34/22/18/821342218.db2.gz KKJTUGVFVFDGAL-UHFFFAOYSA-N -1 3 279.278 3.154 20 0 CGADHM Fc1cc(-c2ccc3cc[nH]c3c2)ccc1-c1nn[n-]n1 ZINC001240797967 821342220 /nfs/dbraw/zinc/34/22/20/821342220.db2.gz KKJTUGVFVFDGAL-UHFFFAOYSA-N -1 3 279.278 3.154 20 0 CGADHM CCC(=O)NCc1cccc(-c2ccc([O-])c(F)c2)c1 ZINC001240785609 821324492 /nfs/dbraw/zinc/32/44/92/821324492.db2.gz JATGSIDDBBWGQW-UHFFFAOYSA-N -1 3 273.307 3.225 20 0 CGADHM COC(=O)c1c(F)cc(-c2ccc([O-])c(F)c2)cc1OC ZINC001240789041 821330202 /nfs/dbraw/zinc/33/02/02/821330202.db2.gz RALUXHSOEYTZNG-UHFFFAOYSA-N -1 3 294.253 3.133 20 0 CGADHM CCOC(=O)c1ccc(OC)c(-c2ccc([O-])c(F)c2)c1 ZINC001240788907 821330682 /nfs/dbraw/zinc/33/06/82/821330682.db2.gz NHTCUBIGRADETB-UHFFFAOYSA-N -1 3 290.290 3.384 20 0 CGADHM O=C1Nc2cccc(-c3ccc([O-])c(F)c3)c2C12CC2 ZINC001240788109 821331481 /nfs/dbraw/zinc/33/14/81/821331481.db2.gz ZMNXBJZQGSHUAL-UHFFFAOYSA-N -1 3 269.275 3.182 20 0 CGADHM CN1Cc2c(cccc2-c2ccc([O-])c(F)c2)NC1=O ZINC001240789786 821332285 /nfs/dbraw/zinc/33/22/85/821332285.db2.gz FBGNQOKHZPQSOY-UHFFFAOYSA-N -1 3 272.279 3.176 20 0 CGADHM [O-]c1ccccc1-c1nc(CC2CC2)nc2[nH]ccc21 ZINC001241008047 821485129 /nfs/dbraw/zinc/48/51/29/821485129.db2.gz FWVVTJSYOBFRSO-UHFFFAOYSA-N -1 3 265.316 3.235 20 0 CGADHM Cc1cc(-c2ccccc2[O-])nc(-c2ccco2)n1 ZINC001241008846 821485685 /nfs/dbraw/zinc/48/56/85/821485685.db2.gz LGBIUIBRDJWVTM-UHFFFAOYSA-N -1 3 252.273 3.418 20 0 CGADHM Fc1ccc(-c2nnn[n-]2)cc1-c1cc(F)c(F)cc1F ZINC001241112527 821567358 /nfs/dbraw/zinc/56/73/58/821567358.db2.gz QVHJGODFWWCLAK-UHFFFAOYSA-N -1 3 294.211 3.090 20 0 CGADHM Fc1ccc(-c2nn[n-]n2)cc1-c1cc(F)c(F)cc1F ZINC001241112527 821567363 /nfs/dbraw/zinc/56/73/63/821567363.db2.gz QVHJGODFWWCLAK-UHFFFAOYSA-N -1 3 294.211 3.090 20 0 CGADHM Cc1cccc2c1ncnc2-c1cc([O-])cc(F)c1 ZINC001241258093 821678243 /nfs/dbraw/zinc/67/82/43/821678243.db2.gz UKVXUDMRQYTYTC-UHFFFAOYSA-N -1 3 254.264 3.450 20 0 CGADHM CC(C)COc1nccnc1-c1cc([O-])cc(F)c1 ZINC001241262017 821681062 /nfs/dbraw/zinc/68/10/62/821681062.db2.gz UTYCIXSORWWULH-UHFFFAOYSA-N -1 3 262.284 3.023 20 0 CGADHM COc1cc2c(cc1F)ncnc2-c1cc([O-])cc(F)c1 ZINC001241261590 821681236 /nfs/dbraw/zinc/68/12/36/821681236.db2.gz COXKYTVFGYMDHL-UHFFFAOYSA-N -1 3 288.253 3.289 20 0 CGADHM [O-]c1cc(F)cc(-c2nccnc2C(F)(F)F)c1 ZINC001241263014 821682092 /nfs/dbraw/zinc/68/20/92/821682092.db2.gz WFKLPTXSSSLXQM-UHFFFAOYSA-N -1 3 258.174 3.007 20 0 CGADHM [O-]c1cc(F)cc(-c2ncccc2C2CCOCC2)c1 ZINC001241262351 821682526 /nfs/dbraw/zinc/68/25/26/821682526.db2.gz ZIHLNINEHIAZSO-UHFFFAOYSA-N -1 3 273.307 3.487 20 0 CGADHM COC(=O)c1cc2cc[nH]c2c(-c2cc([O-])cc(F)c2)c1 ZINC001241271261 821689688 /nfs/dbraw/zinc/68/96/88/821689688.db2.gz OSDKTNMRUWDYEM-UHFFFAOYSA-N -1 3 285.274 3.466 20 0 CGADHM Nc1nc2ccc(-c3cc([O-])cc(F)c3)cc2s1 ZINC001241271018 821689911 /nfs/dbraw/zinc/68/99/11/821689911.db2.gz HIYICQBHZQGJJM-UHFFFAOYSA-N -1 3 260.293 3.390 20 0 CGADHM [O-]c1cc(F)cc(-c2ccccc2C2OCCO2)c1 ZINC001241272768 821691678 /nfs/dbraw/zinc/69/16/78/821691678.db2.gz YUQYXIJVEGSURV-UHFFFAOYSA-N -1 3 260.264 3.244 20 0 CGADHM CCOC(=O)c1c(OC)cccc1-c1cc([O-])cc(F)c1 ZINC001241281921 821700540 /nfs/dbraw/zinc/70/05/40/821700540.db2.gz FIDQKPFRBYJICT-UHFFFAOYSA-N -1 3 290.290 3.384 20 0 CGADHM COC(=O)[C@H](C)c1cccc(-c2cc([O-])cc(F)c2)c1 ZINC001241283710 821703160 /nfs/dbraw/zinc/70/31/60/821703160.db2.gz YLSBADAKDPSYIH-SNVBAGLBSA-N -1 3 274.291 3.475 20 0 CGADHM COc1cc(C)c(-c2c(F)ccc([O-])c2F)cn1 ZINC001241291454 821708414 /nfs/dbraw/zinc/70/84/14/821708414.db2.gz PJLBGEURRXEJGX-UHFFFAOYSA-N -1 3 251.232 3.049 20 0 CGADHM COC(=O)c1cccc(-c2c(F)ccc([O-])c2F)c1F ZINC001241292681 821709882 /nfs/dbraw/zinc/70/98/82/821709882.db2.gz HMCSDBZCYOVMOQ-UHFFFAOYSA-N -1 3 282.217 3.263 20 0 CGADHM CCOc1ccc(-c2c(F)ccc([O-])c2F)c(C)n1 ZINC001241293330 821710374 /nfs/dbraw/zinc/71/03/74/821710374.db2.gz SWKFNBBKCRTCEN-UHFFFAOYSA-N -1 3 265.259 3.440 20 0 CGADHM [O-]c1ccc(F)c(-c2cccc(C3COC3)c2)c1F ZINC001241293561 821710707 /nfs/dbraw/zinc/71/07/07/821710707.db2.gz WNIIPGPAPDSSPP-UHFFFAOYSA-N -1 3 262.255 3.451 20 0 CGADHM COCc1cccc(-c2c(F)ccc([O-])c2F)c1 ZINC001241292789 821710804 /nfs/dbraw/zinc/71/08/04/821710804.db2.gz HIEYVHUCOSSNMR-UHFFFAOYSA-N -1 3 250.244 3.484 20 0 CGADHM O=c1cc(-c2c(F)ccc([O-])c2F)ccn1-c1ccccc1 ZINC001241294225 821713021 /nfs/dbraw/zinc/71/30/21/821713021.db2.gz NWBOIVVEHZDRKD-UHFFFAOYSA-N -1 3 299.276 3.488 20 0 CGADHM c1ncc(-c2ccccc2-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC001241443550 821836499 /nfs/dbraw/zinc/83/64/99/821836499.db2.gz GEAUKLZRECSFBV-UHFFFAOYSA-N -1 3 289.298 3.189 20 0 CGADHM c1ncc(-c2ccccc2-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC001241443550 821836508 /nfs/dbraw/zinc/83/65/08/821836508.db2.gz GEAUKLZRECSFBV-UHFFFAOYSA-N -1 3 289.298 3.189 20 0 CGADHM Fc1ccc2ncc(-c3ccc(-c4nnn[n-]4)cc3)cc2c1 ZINC001241445957 821839939 /nfs/dbraw/zinc/83/99/39/821839939.db2.gz YEHMBYPFJTUBCX-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Fc1ccc2ncc(-c3ccc(-c4nn[n-]n4)cc3)cc2c1 ZINC001241445957 821839945 /nfs/dbraw/zinc/83/99/45/821839945.db2.gz YEHMBYPFJTUBCX-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM CCCOc1cccc(-c2ccc(-c3nnn[n-]3)cc2)c1 ZINC001241445749 821841102 /nfs/dbraw/zinc/84/11/02/821841102.db2.gz AOPAEFNFTKPIJD-UHFFFAOYSA-N -1 3 280.331 3.323 20 0 CGADHM CCCOc1cccc(-c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001241445749 821841113 /nfs/dbraw/zinc/84/11/13/821841113.db2.gz AOPAEFNFTKPIJD-UHFFFAOYSA-N -1 3 280.331 3.323 20 0 CGADHM COc1cccc2[nH]c(-c3ccccc3-c3nnn[n-]3)cc21 ZINC001241997779 822267263 /nfs/dbraw/zinc/26/72/63/822267263.db2.gz LIHAKPKIROFSOB-UHFFFAOYSA-N -1 3 291.314 3.024 20 0 CGADHM COc1cccc2[nH]c(-c3ccccc3-c3nn[n-]n3)cc21 ZINC001241997779 822267269 /nfs/dbraw/zinc/26/72/69/822267269.db2.gz LIHAKPKIROFSOB-UHFFFAOYSA-N -1 3 291.314 3.024 20 0 CGADHM COc1cccc2[nH]c(-c3cccc(-c4nnn[n-]4)c3)cc21 ZINC001241999213 822268779 /nfs/dbraw/zinc/26/87/79/822268779.db2.gz LPYQMUMMRQGYAY-UHFFFAOYSA-N -1 3 291.314 3.024 20 0 CGADHM COc1cccc2[nH]c(-c3cccc(-c4nn[n-]n4)c3)cc21 ZINC001241999213 822268785 /nfs/dbraw/zinc/26/87/85/822268785.db2.gz LPYQMUMMRQGYAY-UHFFFAOYSA-N -1 3 291.314 3.024 20 0 CGADHM Fc1ccc(-c2nnn[n-]2)cc1-c1cccc(Cl)c1 ZINC001242146965 822894063 /nfs/dbraw/zinc/89/40/63/822894063.db2.gz UNLNWUYQIDTSHZ-UHFFFAOYSA-N -1 3 274.686 3.326 20 0 CGADHM Fc1ccc(-c2nn[n-]n2)cc1-c1cccc(Cl)c1 ZINC001242146965 822894068 /nfs/dbraw/zinc/89/40/68/822894068.db2.gz UNLNWUYQIDTSHZ-UHFFFAOYSA-N -1 3 274.686 3.326 20 0 CGADHM Cc1cc(-c2ccc([O-])c(C(F)(F)F)c2)n(C)n1 ZINC001242157835 822899085 /nfs/dbraw/zinc/89/90/85/822899085.db2.gz NXUKGKPWQZIVHH-UHFFFAOYSA-N -1 3 256.227 3.120 20 0 CGADHM Cc1c(F)c(F)ccc1-c1ccc(Cc2nnn[n-]2)cc1 ZINC001242307485 822946355 /nfs/dbraw/zinc/94/63/55/822946355.db2.gz RUCSRIKATIRHMF-UHFFFAOYSA-N -1 3 286.285 3.044 20 0 CGADHM Cc1c(F)c(F)ccc1-c1ccc(Cc2nn[n-]n2)cc1 ZINC001242307485 822946357 /nfs/dbraw/zinc/94/63/57/822946357.db2.gz RUCSRIKATIRHMF-UHFFFAOYSA-N -1 3 286.285 3.044 20 0 CGADHM CC(=O)N1CCCc2cc(-c3cccc(F)c3[O-])ccc21 ZINC001242350474 822961183 /nfs/dbraw/zinc/96/11/83/822961183.db2.gz HAPWVOZUQNPZCK-UHFFFAOYSA-N -1 3 285.318 3.497 20 0 CGADHM CCOC(=O)c1cc(-c2cccc(F)c2[O-])cnc1C ZINC001242351487 822961407 /nfs/dbraw/zinc/96/14/07/822961407.db2.gz WQLYCBMUNDZRBN-UHFFFAOYSA-N -1 3 275.279 3.078 20 0 CGADHM Cc1cc(-c2cccc(F)c2[O-])ccc1N1CCOCC1 ZINC001242351943 822961858 /nfs/dbraw/zinc/96/18/58/822961858.db2.gz CZXJMHHUUGGEJL-UHFFFAOYSA-N -1 3 287.334 3.343 20 0 CGADHM COc1ccc(-c2nnn[n-]2)cc1-c1cccc2cc[nH]c21 ZINC001242363389 822967718 /nfs/dbraw/zinc/96/77/18/822967718.db2.gz MJZDWHMBIIGICY-UHFFFAOYSA-N -1 3 291.314 3.024 20 0 CGADHM COc1ccc(-c2nn[n-]n2)cc1-c1cccc2cc[nH]c21 ZINC001242363389 822967721 /nfs/dbraw/zinc/96/77/21/822967721.db2.gz MJZDWHMBIIGICY-UHFFFAOYSA-N -1 3 291.314 3.024 20 0 CGADHM CC(C)c1noc([N-][C@H]2CCCc3cnn(C(C)C)c32)n1 ZINC001342615716 936471813 /nfs/dbraw/zinc/47/18/13/936471813.db2.gz VXIZQWSKTHFSIP-LBPRGKRZSA-N -1 3 289.383 3.460 20 0 CGADHM Cc1ccc(CNC(=S)Nc2ccc(F)c([O-])c2)cc1 ZINC001200312953 937063479 /nfs/dbraw/zinc/06/34/79/937063479.db2.gz ARSKAPDRZVZJTD-UHFFFAOYSA-N -1 3 290.363 3.326 20 0 CGADHM CCCCN(C(=O)c1cc2c(cc1[O-])OCO2)[C@H](C)CC ZINC000436553434 927447579 /nfs/dbraw/zinc/44/75/79/927447579.db2.gz CAZGWIQXFIXHSE-LLVKDONJSA-N -1 3 293.363 3.162 20 0 CGADHM Cc1ccc(NC(=O)/C=C\c2ccc(C=O)cc2)c([O-])c1 ZINC001440586522 937331915 /nfs/dbraw/zinc/33/19/15/937331915.db2.gz AOVMXFLTRDFUAH-CLFYSBASSA-N -1 3 281.311 3.165 20 0 CGADHM C[C@@H](NC(=O)Cc1ccc([O-])c(F)c1)c1ccsc1 ZINC001448441033 937375445 /nfs/dbraw/zinc/37/54/45/937375445.db2.gz VOWPCGUWFQWMFI-SECBINFHSA-N -1 3 279.336 3.013 20 0 CGADHM COc1cccc([O-])c1C(=O)N[C@H]1CCC[C@H]1C(C)(C)C ZINC001451304681 937389487 /nfs/dbraw/zinc/38/94/87/937389487.db2.gz TXNWFMBVPXONST-NEPJUHHUSA-N -1 3 291.391 3.345 20 0 CGADHM O=C([O-])[C@H]1CN(C[C@@H]2CC=CCC2)Cc2ccccc21 ZINC000402398907 932017770 /nfs/dbraw/zinc/01/77/70/932017770.db2.gz MUHOJCGHKDIHPD-CJNGLKHVSA-N -1 3 271.360 3.027 20 0 CGADHM CCCC/C=C/[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC001229950938 932508308 /nfs/dbraw/zinc/50/83/08/932508308.db2.gz OOCALFWKUPFGMO-UVMWJGKXSA-N -1 3 272.352 3.380 20 0 CGADHM CCCC/C=C/[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC001229950938 932508310 /nfs/dbraw/zinc/50/83/10/932508310.db2.gz OOCALFWKUPFGMO-UVMWJGKXSA-N -1 3 272.352 3.380 20 0 CGADHM CC[C@H]1CC[C@H](Oc2ccccc2-c2nnn[n-]2)CC1 ZINC001229954734 932509475 /nfs/dbraw/zinc/50/94/75/932509475.db2.gz OCWXPWGOSOBKHO-HAQNSBGRSA-N -1 3 272.352 3.214 20 0 CGADHM CC[C@H]1CC[C@H](Oc2ccccc2-c2nn[n-]n2)CC1 ZINC001229954734 932509481 /nfs/dbraw/zinc/50/94/81/932509481.db2.gz OCWXPWGOSOBKHO-HAQNSBGRSA-N -1 3 272.352 3.214 20 0 CGADHM C[C@H](Oc1[n-]c(=O)nc2cccc(F)c21)c1ccccn1 ZINC001231074167 932672799 /nfs/dbraw/zinc/67/27/99/932672799.db2.gz MBYQYMNPTNDZJX-VIFPVBQESA-N -1 3 285.278 3.010 20 0 CGADHM CC1(C)CCC[C@@H](Oc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001231075694 932673368 /nfs/dbraw/zinc/67/33/68/932673368.db2.gz FFQSKCSSDPORNE-CYBMUJFWSA-N -1 3 272.352 3.214 20 0 CGADHM CCCCOc1ccc(C(=O)N[C@H]2CC2(C)C)c([O-])c1 ZINC001306854255 932889811 /nfs/dbraw/zinc/88/98/11/932889811.db2.gz CLTPWZVMTDBRAY-AWEZNQCLSA-N -1 3 277.364 3.099 20 0 CGADHM CCc1cc([N-]C(=O)c2ncoc2-c2ccc(C)cc2)no1 ZINC001463515541 937675263 /nfs/dbraw/zinc/67/52/63/937675263.db2.gz DGYRGDIUKFVWIR-UHFFFAOYSA-N -1 3 297.314 3.453 20 0 CGADHM CC(=O)c1cccc(NC(=O)[C@H]2C[C@@H]2c2ccccc2)c1[O-] ZINC001468601833 937729925 /nfs/dbraw/zinc/72/99/25/937729925.db2.gz NZANCFTXJYVYSW-CABCVRRESA-N -1 3 295.338 3.337 20 0 CGADHM CCc1ccc(C(=O)N[C@@H]2CCc3ccccc32)c([O-])c1 ZINC001469908445 937745314 /nfs/dbraw/zinc/74/53/14/937745314.db2.gz DXQHCCBJTOGKNI-MRXNPFEDSA-N -1 3 281.355 3.372 20 0 CGADHM CN(C(=O)Cc1ccc([O-])c(F)c1)c1cccc2cc[nH]c21 ZINC001470985088 937760223 /nfs/dbraw/zinc/76/02/23/937760223.db2.gz KLSRUUYUPJRGDL-UHFFFAOYSA-N -1 3 298.317 3.218 20 0 CGADHM CC1(C)CCC[C@@H](CNC(=O)c2c([O-])cccc2O)C1 ZINC001472578400 937777958 /nfs/dbraw/zinc/77/79/58/937777958.db2.gz DECLBVNKAHJCRV-LLVKDONJSA-N -1 3 277.364 3.044 20 0 CGADHM Cc1cc(NCc2ccc([O-])c(Cl)c2)nc(C)n1 ZINC001472869927 937787351 /nfs/dbraw/zinc/78/73/51/937787351.db2.gz YESPYOYUNJYNKF-UHFFFAOYSA-N -1 3 263.728 3.065 20 0 CGADHM CS[C@H]1CC[C@H](N(C)Cc2ccc(C(=O)[O-])cc2F)C1 ZINC001327341238 935054167 /nfs/dbraw/zinc/05/41/67/935054167.db2.gz NBYCNLYDSRDIPJ-STQMWFEESA-N -1 3 297.395 3.240 20 0 CGADHM CC(C)Oc1cccnc1[N-]C(=O)c1ocnc1C(F)F ZINC001329198167 935194734 /nfs/dbraw/zinc/19/47/34/935194734.db2.gz XPNVETROFGOQKD-UHFFFAOYSA-N -1 3 297.261 3.047 20 0 CGADHM CC(C)(C)O[N-]C(=O)Cc1cc(Cl)cc(Cl)c1 ZINC001329639651 935236391 /nfs/dbraw/zinc/23/63/91/935236391.db2.gz IMRUGMYGVNISIS-UHFFFAOYSA-N -1 3 276.163 3.382 20 0 CGADHM Cc1nn(C)c(C)c1N[C@H](C)c1cccc([O-])c1F ZINC001332232903 935451226 /nfs/dbraw/zinc/45/12/26/935451226.db2.gz SUNXPJRPVPUKKK-MRVPVSSYSA-N -1 3 263.316 3.055 20 0 CGADHM CC(C)Oc1cccnc1NCc1ccc([O-])c(F)c1 ZINC001334199260 936091116 /nfs/dbraw/zinc/09/11/16/936091116.db2.gz CDTLBVIBHYVSGM-UHFFFAOYSA-N -1 3 276.311 3.326 20 0 CGADHM CC(C)c1ccc(C(=O)N2CCC[C@H]2C(F)F)c([O-])c1 ZINC001337599169 936273022 /nfs/dbraw/zinc/27/30/22/936273022.db2.gz YPWANBTVHBHSHC-LBPRGKRZSA-N -1 3 283.318 3.385 20 0 CGADHM Cc1ccc2oc(C(=O)[N-]c3cnoc3C(C)C)cc2n1 ZINC001514581094 938001973 /nfs/dbraw/zinc/00/19/73/938001973.db2.gz NULNQZASWJFESF-UHFFFAOYSA-N -1 3 285.303 3.500 20 0 CGADHM CCc1ccc(C(=O)N[C@H](C)c2cccc(OC)c2)c([O-])c1 ZINC001540786808 938133971 /nfs/dbraw/zinc/13/39/71/938133971.db2.gz KHLGBYNSNAMVIH-GFCCVEGCSA-N -1 3 299.370 3.454 20 0 CGADHM CC(C)(C)C[C@@H](NC(=O)c1cc(=O)[n-]cn1)c1ccccc1 ZINC001541069425 938134665 /nfs/dbraw/zinc/13/46/65/938134665.db2.gz TXCYNOUNLCSRJR-CQSZACIVSA-N -1 3 299.374 3.090 20 0 CGADHM Cc1cccc(N(C)C(=O)Cc2ccc([O-])c(F)c2)c1 ZINC001542815544 938136908 /nfs/dbraw/zinc/13/69/08/938136908.db2.gz PSOYWGWBUQNDFK-UHFFFAOYSA-N -1 3 273.307 3.045 20 0 CGADHM CC[C@@](C)(NC(=O)c1ccccc1[O-])c1ccccc1 ZINC001543734625 938141245 /nfs/dbraw/zinc/14/12/45/938141245.db2.gz GSOWSWMDGCEEPA-QGZVFWFLSA-N -1 3 269.344 3.447 20 0 CGADHM COc1ccc2c(c1)CCN(C(=O)c1ccccc1[O-])[C@H]2C ZINC001551872904 938188001 /nfs/dbraw/zinc/18/80/01/938188001.db2.gz IZRMBFUGVXTQLV-LBPRGKRZSA-N -1 3 297.354 3.160 20 0 CGADHM O=C(c1ccc(O)cc1[O-])N1CC[C@H]1C1CCCCCC1 ZINC001551924960 938188618 /nfs/dbraw/zinc/18/86/18/938188618.db2.gz ATTNBPGCGOAOME-HNNXBMFYSA-N -1 3 289.375 3.283 20 0 CGADHM Cc1cc(O)ccc1CC(=O)Nc1c([O-])cccc1Cl ZINC001556783816 938205815 /nfs/dbraw/zinc/20/58/15/938205815.db2.gz ANUUSNNFSAPLDC-UHFFFAOYSA-N -1 3 291.734 3.241 20 0 CGADHM CC(=O)c1cccc(NC(=O)[C@H](F)c2ccccc2)c1[O-] ZINC001556853507 938206136 /nfs/dbraw/zinc/20/61/36/938206136.db2.gz KLAVHBBVYOVQMO-CQSZACIVSA-N -1 3 287.290 3.244 20 0 CGADHM O=C([O-])c1ccc(CNCc2ccc(C(F)F)nc2)cc1 ZINC001595230938 949345502 /nfs/dbraw/zinc/34/55/02/949345502.db2.gz PZLOOVKNDALBQG-UHFFFAOYSA-N -1 3 292.285 3.007 20 0 CGADHM O=C([O-])CCCCN1CC2(CCC2)[C@H]1c1ccco1 ZINC001595040734 951420442 /nfs/dbraw/zinc/42/04/42/951420442.db2.gz PZJQLNDXHOPXJD-CQSZACIVSA-N -1 3 263.337 3.062 20 0 CGADHM C[C@@H]1C[C@H](C(=O)[O-])CN(Cc2cccc(F)c2Cl)C1 ZINC000399080227 951631562 /nfs/dbraw/zinc/63/15/62/951631562.db2.gz SWGATBKFBRLULV-KOLCDFICSA-N -1 3 285.746 3.022 20 0 CGADHM CC(C)(NCCCC(=O)[O-])c1nc2cc(Cl)ccc2o1 ZINC001602953682 971931283 /nfs/dbraw/zinc/93/12/83/971931283.db2.gz IYDIQJSLRJVZGC-UHFFFAOYSA-N -1 3 296.754 3.171 20 0 CGADHM C[C@@H](c1c(F)cccc1F)N1CCC[C@](C)(C(=O)[O-])C1 ZINC000227831941 959972655 /nfs/dbraw/zinc/97/26/55/959972655.db2.gz QNKKAJJEOAWPPI-BONVTDFDSA-N -1 3 283.318 3.213 20 0 CGADHM CC1(C)C(C)(C)C1(C)C(=O)NCc1ccc([O-])c(F)c1 ZINC001566357347 960929201 /nfs/dbraw/zinc/92/92/01/960929201.db2.gz CDGWXJDEESFMDU-UHFFFAOYSA-N -1 3 279.355 3.220 20 0 CGADHM CCCc1ccc(C(=O)NCc2ccc([O-])c(F)c2)s1 ZINC001566358182 960929365 /nfs/dbraw/zinc/92/93/65/960929365.db2.gz WVNFKYCTIWBDHF-UHFFFAOYSA-N -1 3 293.363 3.475 20 0 CGADHM C/C(=C\c1ccccc1Cl)C(=O)Nc1ncccc1[O-] ZINC001567486195 961349215 /nfs/dbraw/zinc/34/92/15/961349215.db2.gz ZJLXINXLJJTLJG-MDZDMXLPSA-N -1 3 288.734 3.483 20 0 CGADHM Cc1oc2ccccc2c1CNCc1ccc(C(=O)[O-])[nH]1 ZINC001574764873 962324788 /nfs/dbraw/zinc/32/47/88/962324788.db2.gz VQIDWQCDOGHPNX-UHFFFAOYSA-N -1 3 284.315 3.057 20 0 CGADHM CCC(CC)CNc1cc(C)cc(-c2nnn[n-]2)c1 ZINC001576758099 962491820 /nfs/dbraw/zinc/49/18/20/962491820.db2.gz MNQHRYZDKVBDCA-UHFFFAOYSA-N -1 3 259.357 3.023 20 0 CGADHM CCC(CC)CNc1cc(C)cc(-c2nn[n-]n2)c1 ZINC001576758099 962491828 /nfs/dbraw/zinc/49/18/28/962491828.db2.gz MNQHRYZDKVBDCA-UHFFFAOYSA-N -1 3 259.357 3.023 20 0 CGADHM CCCCC1(C(=O)Nc2cc(C)cc(-c3nnn[n-]3)c2)CC1 ZINC001577496832 962556238 /nfs/dbraw/zinc/55/62/38/962556238.db2.gz GAOLBBYYEYMGKU-UHFFFAOYSA-N -1 3 299.378 3.084 20 0 CGADHM CCCCC1(C(=O)Nc2cc(C)cc(-c3nn[n-]n3)c2)CC1 ZINC001577496832 962556244 /nfs/dbraw/zinc/55/62/44/962556244.db2.gz GAOLBBYYEYMGKU-UHFFFAOYSA-N -1 3 299.378 3.084 20 0 CGADHM Cc1c(NC[C@@H]2CC[C@H]3C[C@H]3C2)cccc1-c1nnn[n-]1 ZINC001580560002 962730851 /nfs/dbraw/zinc/73/08/51/962730851.db2.gz QXEQMWPYQREHOF-FRRDWIJNSA-N -1 3 283.379 3.023 20 0 CGADHM Cc1c(NC[C@@H]2CC[C@H]3C[C@H]3C2)cccc1-c1nn[n-]n1 ZINC001580560002 962730865 /nfs/dbraw/zinc/73/08/65/962730865.db2.gz QXEQMWPYQREHOF-FRRDWIJNSA-N -1 3 283.379 3.023 20 0 CGADHM Clc1cccc(-c2nnn[n-]2)c1SCCC1CC1 ZINC001581745481 962754358 /nfs/dbraw/zinc/75/43/58/962754358.db2.gz GOHWHBGKHAWYCJ-UHFFFAOYSA-N -1 3 280.784 3.412 20 0 CGADHM Clc1cccc(-c2nn[n-]n2)c1SCCC1CC1 ZINC001581745481 962754372 /nfs/dbraw/zinc/75/43/72/962754372.db2.gz GOHWHBGKHAWYCJ-UHFFFAOYSA-N -1 3 280.784 3.412 20 0 CGADHM CC(C)c1ccc(C(=O)N[C@H]2CCC[C@H]2C)c([O-])c1 ZINC001585572419 963029749 /nfs/dbraw/zinc/02/97/49/963029749.db2.gz OUEILUBZFFIPJZ-RISCZKNCSA-N -1 3 261.365 3.434 20 0 CGADHM CCCc1ccc(NC(=O)c2cc(F)cc3n[n-]nc32)cc1 ZINC001586909485 963150076 /nfs/dbraw/zinc/15/00/76/963150076.db2.gz UDNMHVNRMUWUBW-UHFFFAOYSA-N -1 3 298.321 3.302 20 0 CGADHM O=C([O-])[C@H](NCc1cc(Cl)sc1Cl)C1CC1 ZINC000308351371 963267385 /nfs/dbraw/zinc/26/73/85/963267385.db2.gz QRXQHDXJBQRJRL-MRVPVSSYSA-N -1 3 280.176 3.008 20 0 CGADHM CC(C)(C)CSCCOc1ccccc1-c1nnn[n-]1 ZINC001589130340 963348678 /nfs/dbraw/zinc/34/86/78/963348678.db2.gz FXXAWKQHJQNXQV-UHFFFAOYSA-N -1 3 292.408 3.025 20 0 CGADHM CC(C)(C)CSCCOc1ccccc1-c1nn[n-]n1 ZINC001589130340 963348685 /nfs/dbraw/zinc/34/86/85/963348685.db2.gz FXXAWKQHJQNXQV-UHFFFAOYSA-N -1 3 292.408 3.025 20 0 CGADHM CC(C)=CCSCc1cc(-c2nnn[n-]2)ccc1F ZINC001589380412 963986094 /nfs/dbraw/zinc/98/60/94/963986094.db2.gz WTYJDKCMOWIXPX-UHFFFAOYSA-N -1 3 278.356 3.205 20 0 CGADHM CC(C)=CCSCc1cc(-c2nn[n-]n2)ccc1F ZINC001589380412 963986100 /nfs/dbraw/zinc/98/61/00/963986100.db2.gz WTYJDKCMOWIXPX-UHFFFAOYSA-N -1 3 278.356 3.205 20 0 CGADHM CC(C)C(C)(C)CSCc1cncc(-c2nnn[n-]2)c1 ZINC001589425671 963988975 /nfs/dbraw/zinc/98/89/75/963988975.db2.gz ZHEZURGOYXPEKU-UHFFFAOYSA-N -1 3 291.424 3.177 20 0 CGADHM CC(C)C(C)(C)CSCc1cncc(-c2nn[n-]n2)c1 ZINC001589425671 963988986 /nfs/dbraw/zinc/98/89/86/963988986.db2.gz ZHEZURGOYXPEKU-UHFFFAOYSA-N -1 3 291.424 3.177 20 0 CGADHM CC(C)[C@H]1CCCCN1c1cc(F)ccc1-c1nnn[n-]1 ZINC001589507706 963996994 /nfs/dbraw/zinc/99/69/94/963996994.db2.gz POMMZHFMVVTYFF-CYBMUJFWSA-N -1 3 289.358 3.021 20 0 CGADHM CC(C)[C@H]1CCCCN1c1cc(F)ccc1-c1nn[n-]n1 ZINC001589507706 963997005 /nfs/dbraw/zinc/99/70/05/963997005.db2.gz POMMZHFMVVTYFF-CYBMUJFWSA-N -1 3 289.358 3.021 20 0 CGADHM CC(C)CCC[C@@H](C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001589596041 963998692 /nfs/dbraw/zinc/99/86/92/963998692.db2.gz MXHWBAIEOSRCDS-SNVBAGLBSA-N -1 3 292.362 3.028 20 0 CGADHM CC(C)CCC[C@@H](C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001589596041 963998704 /nfs/dbraw/zinc/99/87/04/963998704.db2.gz MXHWBAIEOSRCDS-SNVBAGLBSA-N -1 3 292.362 3.028 20 0 CGADHM CC(C)COCSc1cccc(-c2nnn[n-]2)c1Cl ZINC001589647430 964013836 /nfs/dbraw/zinc/01/38/36/964013836.db2.gz RTFRIJWFEOOCQR-UHFFFAOYSA-N -1 3 298.799 3.242 20 0 CGADHM CC(C)COCSc1cccc(-c2nn[n-]n2)c1Cl ZINC001589647430 964013845 /nfs/dbraw/zinc/01/38/45/964013845.db2.gz RTFRIJWFEOOCQR-UHFFFAOYSA-N -1 3 298.799 3.242 20 0 CGADHM CCCc1ccc(CN2CCC[C@@]2(C)C(=O)[O-])s1 ZINC001589691575 964019420 /nfs/dbraw/zinc/01/94/20/964019420.db2.gz QIWJAJIEAQJXCP-AWEZNQCLSA-N -1 3 267.394 3.140 20 0 CGADHM C[C@@H](CN[C@H](C)c1ncc(C(=O)[O-])s1)CC(F)(F)F ZINC000396963479 972955272 /nfs/dbraw/zinc/95/52/72/972955272.db2.gz DPYYHGBBZCGXGA-RNFRBKRXSA-N -1 3 296.314 3.080 20 0 CGADHM O=C([O-])CN[C@@H](c1c(Cl)cccc1Cl)C1CC1 ZINC001606269282 973643348 /nfs/dbraw/zinc/64/33/48/973643348.db2.gz SQMXUGHWPAKVQB-GFCCVEGCSA-N -1 3 274.147 3.119 20 0 CGADHM CC(C)O[C@@H]1C[C@@H](N[C@@H](C)c2cc(C(=O)[O-])co2)C1(C)C ZINC001591695794 975525822 /nfs/dbraw/zinc/52/58/22/975525822.db2.gz LDVIMXOAFBKRHE-ZLKJLUDKSA-N -1 3 295.379 3.221 20 0 CGADHM CC(C)c1[nH]c(CNC(C)(C)/C=C/Cl)cc1C(=O)[O-] ZINC001591916528 976367015 /nfs/dbraw/zinc/36/70/15/976367015.db2.gz MWEGAYRAWOHICT-AATRIKPKSA-N -1 3 284.787 3.457 20 0 CGADHM CCC(CC)(CC(=O)[O-])[NH2+]Cc1cc([O-])cc(Cl)c1 ZINC001595057268 979298534 /nfs/dbraw/zinc/29/85/34/979298534.db2.gz JJNHPTHZCIBFIP-UHFFFAOYSA-N -1 3 285.771 3.169 20 0 CGADHM CCC[C@H]1CCCN1Cc1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC001595623114 981717396 /nfs/dbraw/zinc/71/73/96/981717396.db2.gz CWLGBUPQHOBRQC-LBPRGKRZSA-N -1 3 287.363 3.026 20 0 CGADHM CC[C@@H](C)[C@@H](CNCc1cc(C(=O)[O-])ccc1Cl)OC ZINC001594884653 982264603 /nfs/dbraw/zinc/26/46/03/982264603.db2.gz YDHFBGPLKBWJRM-QMTHXVAHSA-N -1 3 299.798 3.189 20 0 CGADHM CCOc1c(Cl)cccc1CN1CCC[C@H]1CC(=O)[O-] ZINC001596992237 986276049 /nfs/dbraw/zinc/27/60/49/986276049.db2.gz FCXXQBONCQZBPL-LBPRGKRZSA-N -1 3 297.782 3.178 20 0 CGADHM CCc1nc([C@H](C)NC[C@@H]2CCCC[C@@H]2C(=O)[O-])cs1 ZINC001597656630 988711671 /nfs/dbraw/zinc/71/16/71/988711671.db2.gz VLQVJXYVGLOIPN-SRVKXCTJSA-N -1 3 296.436 3.247 20 0 CGADHM CC1(C)Nc2ccccc2[C@@H]1NCc1ccc(C(=O)[O-])cc1 ZINC001593973343 997149844 /nfs/dbraw/zinc/14/98/44/997149844.db2.gz PCVQUVUCUSAJFN-INIZCTEOSA-N -1 3 296.370 3.420 20 0 CGADHM CC(C)c1[nH]c(CN2CCC[C@H](C)C2)cc1C(=O)[O-] ZINC001594383338 999447655 /nfs/dbraw/zinc/44/76/55/999447655.db2.gz IBYODLSUTPGTFX-NSHDSACASA-N -1 3 264.369 3.068 20 0 CGADHM CC(C)(C)c1ccc(NC(=O)Cc2ccoc2)c([O-])c1 ZINC000337426203 214076125 /nfs/dbraw/zinc/07/61/25/214076125.db2.gz SEXGAMMEZQSYRL-UHFFFAOYSA-N -1 3 273.332 3.464 20 0 CGADHM CC(C)[C@H](NC(=O)c1csc(=O)[n-]1)c1ccc(F)cc1 ZINC000337622422 214183946 /nfs/dbraw/zinc/18/39/46/214183946.db2.gz SBEIJYCFTFLDHH-LBPRGKRZSA-N -1 3 294.351 3.115 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000651586906 398256325 /nfs/dbraw/zinc/25/63/25/398256325.db2.gz RRFZKFGURJOHHF-JFGNBEQYSA-N -1 3 261.296 3.072 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)[C@H]2CCC2(C)C)c1-c1ccccc1 ZINC000621809068 349594210 /nfs/dbraw/zinc/59/42/10/349594210.db2.gz IXBFOYUIQUDDLY-CYBMUJFWSA-N -1 3 283.375 3.182 20 0 CGADHM CC/C=C/CNC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622083662 349627077 /nfs/dbraw/zinc/62/70/77/349627077.db2.gz JROCVBXFMGBBHL-ONEGZZNKSA-N -1 3 273.254 3.107 20 0 CGADHM C[C@@H]1CCCN(Cc2c(F)ccc([O-])c2F)CC1 ZINC000350743179 219056472 /nfs/dbraw/zinc/05/64/72/219056472.db2.gz FVDAYHBGJIRXSN-SNVBAGLBSA-N -1 3 255.308 3.292 20 0 CGADHM CCC1(NC(=O)c2cc([O-])cc(C(F)(F)F)c2)CCC1 ZINC000622099263 349629231 /nfs/dbraw/zinc/62/92/31/349629231.db2.gz KEEYBAUXJXTFOF-UHFFFAOYSA-N -1 3 287.281 3.474 20 0 CGADHM CC(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2C2CCCC2)c1[O-] ZINC000652166768 398326089 /nfs/dbraw/zinc/32/60/89/398326089.db2.gz BMIPKVSLCYSXNL-UONOGXRCSA-N -1 3 287.359 3.360 20 0 CGADHM CC[C@@H](CC(F)(F)F)NC(=O)c1ccc(C)cc1[O-] ZINC000436980487 529458461 /nfs/dbraw/zinc/45/84/61/529458461.db2.gz NVBKEHANZVRBNS-VIFPVBQESA-N -1 3 275.270 3.161 20 0 CGADHM CCc1ccc(C(=O)NCC2(C(C)C)CC2)c([O-])c1 ZINC000622422106 349677797 /nfs/dbraw/zinc/67/77/97/349677797.db2.gz WPGARSWOMPYOPR-UHFFFAOYSA-N -1 3 261.365 3.121 20 0 CGADHM CCOc1ccccc1CNC(=O)c1cccc(CC)c1[O-] ZINC000622325046 349672072 /nfs/dbraw/zinc/67/20/72/349672072.db2.gz MBBWGDRQZONBTB-UHFFFAOYSA-N -1 3 299.370 3.283 20 0 CGADHM CC(F)(F)c1cccc(NC(=O)Cc2cncc([O-])c2)c1 ZINC000622541350 349685234 /nfs/dbraw/zinc/68/52/34/349685234.db2.gz MMLPLXIUVFYLOL-UHFFFAOYSA-N -1 3 292.285 3.080 20 0 CGADHM CCc1ccc(O)c(NC(=O)c2cccc(CC)c2[O-])c1 ZINC000622467831 349682085 /nfs/dbraw/zinc/68/20/85/349682085.db2.gz JDFIHQRRRNZQCR-UHFFFAOYSA-N -1 3 285.343 3.475 20 0 CGADHM CCc1cc(C(=O)N2CC(C)(C)C[C@H]2C)ccc1[O-] ZINC000413972708 529511531 /nfs/dbraw/zinc/51/15/31/529511531.db2.gz KOZSHCHPEURGFO-LLVKDONJSA-N -1 3 261.365 3.215 20 0 CGADHM CCc1cc(C(=O)N2CCC[C@H]2c2cccn2C)ccc1[O-] ZINC000368287901 529512822 /nfs/dbraw/zinc/51/28/22/529512822.db2.gz IWYSUFOAJKMAJL-INIZCTEOSA-N -1 3 298.386 3.270 20 0 CGADHM CCc1cc(C(=O)Nc2ccc3n[nH]cc3c2)ccc1[O-] ZINC000362503644 529520676 /nfs/dbraw/zinc/52/06/76/529520676.db2.gz ZABURTRNSJTMHE-UHFFFAOYSA-N -1 3 281.315 3.083 20 0 CGADHM CC[C@@]1(C)CCCN(C(=O)c2ccc([O-])c(C)c2)C1 ZINC000436939791 529523233 /nfs/dbraw/zinc/52/32/33/529523233.db2.gz RBALVQFZNWVNBU-INIZCTEOSA-N -1 3 261.365 3.353 20 0 CGADHM CCc1cccc([N-]S(=O)(=O)C[C@H](CC(C)C)OC)c1 ZINC000421146494 529542423 /nfs/dbraw/zinc/54/24/23/529542423.db2.gz ZNMRSTAVIRHOQN-HNNXBMFYSA-N -1 3 299.436 3.052 20 0 CGADHM CCc1ccc(-c2nc(-c3cccnc3)no2)c([O-])c1 ZINC000436840218 529575712 /nfs/dbraw/zinc/57/57/12/529575712.db2.gz OOHGKQJNWOALCG-UHFFFAOYSA-N -1 3 267.288 3.067 20 0 CGADHM CCc1cc(=O)[n-]c(CN2CCC(C)(C(C)C)CC2)n1 ZINC000426754514 529564793 /nfs/dbraw/zinc/56/47/93/529564793.db2.gz QXHWAPFHROJNQH-UHFFFAOYSA-N -1 3 277.412 3.003 20 0 CGADHM CCc1ccc(C(=O)N2CC[C@H](C(C)C)C2)c([O-])c1 ZINC000436826523 529599526 /nfs/dbraw/zinc/59/95/26/529599526.db2.gz ALECZMFCHJKJSO-ZDUSSCGKSA-N -1 3 261.365 3.073 20 0 CGADHM CCc1ccnc(-c2noc(-c3ccc(C)cc3[O-])n2)c1 ZINC000436598474 529624532 /nfs/dbraw/zinc/62/45/32/529624532.db2.gz ULSSMUDXGFXGKY-UHFFFAOYSA-N -1 3 281.315 3.375 20 0 CGADHM CC[C@@H](NC(=O)c1ccc(C(C)=O)c([O-])c1)C1CCCC1 ZINC000412401967 529667934 /nfs/dbraw/zinc/66/79/34/529667934.db2.gz NOJKMLVASZHYPA-OAHLLOKOSA-N -1 3 289.375 3.293 20 0 CGADHM CC[C@@H](NC(=O)c1ccc(C)c(C)c1[O-])c1nccs1 ZINC000436525609 529668462 /nfs/dbraw/zinc/66/84/62/529668462.db2.gz BOIAJPNDSPSXBR-GFCCVEGCSA-N -1 3 290.388 3.347 20 0 CGADHM CC[C@H](C)CSCc1cc(=O)[n-]c(C2CC2)n1 ZINC000412994270 529674847 /nfs/dbraw/zinc/67/48/47/529674847.db2.gz APIJEUGOBZGAKA-VIFPVBQESA-N -1 3 252.383 3.339 20 0 CGADHM CCc1cnccc1[C@@H](C)NC(=O)c1ccc(C)cc1[O-] ZINC000436794690 529677462 /nfs/dbraw/zinc/67/74/62/529677462.db2.gz WKZFXKQUEMFVOJ-GFCCVEGCSA-N -1 3 284.359 3.149 20 0 CGADHM CCC[C@H](NC(=O)c1cccc(C)c1[O-])c1ccccn1 ZINC000591459879 346924338 /nfs/dbraw/zinc/92/43/38/346924338.db2.gz CHEVZNPDCQPYQM-HNNXBMFYSA-N -1 3 284.359 3.367 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CC[C@@H](C)C(F)(F)C2)c1 ZINC000427673596 529691552 /nfs/dbraw/zinc/69/15/52/529691552.db2.gz VRFMWFPQCLHEEE-SNVBAGLBSA-N -1 3 283.318 3.072 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CC[C@H](C)[C@@H]2CC)c1 ZINC000436957733 529691572 /nfs/dbraw/zinc/69/15/72/529691572.db2.gz WYZFRVVWFFGFKJ-FZMZJTMJSA-N -1 3 261.365 3.215 20 0 CGADHM CCc1ccc([O-])c(-c2nc(-c3cncc(C)c3)no2)c1 ZINC000436895813 529690641 /nfs/dbraw/zinc/69/06/41/529690641.db2.gz VQWZCQPJYVPBHX-UHFFFAOYSA-N -1 3 281.315 3.375 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CCCC[C@H]2CC)c1 ZINC000436754643 529690772 /nfs/dbraw/zinc/69/07/72/529690772.db2.gz JDKLBIBNPKTZQL-CYBMUJFWSA-N -1 3 261.365 3.359 20 0 CGADHM CCc1ccc(O)c(NC(=O)c2cccc(C)c2[O-])c1 ZINC000436605397 529693231 /nfs/dbraw/zinc/69/32/31/529693231.db2.gz PGHKUZMSDQILHD-UHFFFAOYSA-N -1 3 271.316 3.221 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2sc(C)nc2C)c1 ZINC000354781167 529691921 /nfs/dbraw/zinc/69/19/21/529691921.db2.gz JIWMDGQFYPRBFE-UHFFFAOYSA-N -1 3 276.361 3.280 20 0 CGADHM CCc1ccc([O-])c(C(=O)NCCCc2cccc(C)n2)c1 ZINC000359138160 529692058 /nfs/dbraw/zinc/69/20/58/529692058.db2.gz XHXVTLBCRGGYBA-UHFFFAOYSA-N -1 3 298.386 3.021 20 0 CGADHM CCc1ccc([C@@H](NCc2cccc(OC)c2)C(=O)[O-])cc1 ZINC000426811911 529712293 /nfs/dbraw/zinc/71/22/93/529712293.db2.gz OPIFGPYJFWQXHG-QGZVFWFLSA-N -1 3 299.370 3.173 20 0 CGADHM CN1CCN(Cc2c(F)ccc([O-])c2F)c2ccccc21 ZINC000438838883 529773096 /nfs/dbraw/zinc/77/30/96/529773096.db2.gz UOFRQLBOEXUZRL-UHFFFAOYSA-N -1 3 290.313 3.127 20 0 CGADHM Cc1cccc(OCCN(C)C(=O)c2c(C)cccc2[O-])c1 ZINC000623588922 349841769 /nfs/dbraw/zinc/84/17/69/349841769.db2.gz NBNSVNANDMEDLO-UHFFFAOYSA-N -1 3 299.370 3.160 20 0 CGADHM C[C@@H](NC(=O)c1c[n-]nc1-c1ccccn1)c1cccs1 ZINC000351501166 219107112 /nfs/dbraw/zinc/10/71/12/219107112.db2.gz WRFNQARFPFJXHN-SNVBAGLBSA-N -1 3 298.371 3.024 20 0 CGADHM C[C@@H](NC(=O)c1cn[n-]c1-c1ccccn1)c1cccs1 ZINC000351501166 219107115 /nfs/dbraw/zinc/10/71/15/219107115.db2.gz WRFNQARFPFJXHN-SNVBAGLBSA-N -1 3 298.371 3.024 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000623660365 349861383 /nfs/dbraw/zinc/86/13/83/349861383.db2.gz JOIIUFMFGKJMJD-SNVBAGLBSA-N -1 3 287.281 3.115 20 0 CGADHM CN(Cc1cc([O-])ccc1Br)[C@@H]1CC1(C)C ZINC000426550177 529980326 /nfs/dbraw/zinc/98/03/26/529980326.db2.gz WAIKIPXKULDVMW-GFCCVEGCSA-N -1 3 284.197 3.385 20 0 CGADHM Cc1cccc([O-])c1C(=O)N(C)[C@H]1CCC[C@@H](C)C1 ZINC000623922689 349916147 /nfs/dbraw/zinc/91/61/47/349916147.db2.gz GTSXLIJNMBNTHT-YPMHNXCESA-N -1 3 261.365 3.351 20 0 CGADHM CCCN(Cc1ccccc1)C(=O)c1ccc2n[n-]nc2c1 ZINC000024443387 344899636 /nfs/dbraw/zinc/89/96/36/344899636.db2.gz XTFVUSLNZHFIME-UHFFFAOYSA-N -1 3 294.358 3.010 20 0 CGADHM CC(=O)Nc1cccc(NC(=O)c2ccc(C)cc2[O-])c1C ZINC000029818127 344920565 /nfs/dbraw/zinc/92/05/65/344920565.db2.gz CCWIGHBVCDSSFL-UHFFFAOYSA-N -1 3 298.342 3.220 20 0 CGADHM Clc1ccc(CNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000037102045 344947730 /nfs/dbraw/zinc/94/77/30/344947730.db2.gz KLDLIEFNNVJOBI-UHFFFAOYSA-N -1 3 285.738 3.132 20 0 CGADHM Clc1ccc(CNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000037102045 344947733 /nfs/dbraw/zinc/94/77/33/344947733.db2.gz KLDLIEFNNVJOBI-UHFFFAOYSA-N -1 3 285.738 3.132 20 0 CGADHM CC(C)CCN(C)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000053364049 345118745 /nfs/dbraw/zinc/11/87/45/345118745.db2.gz XHSJKZVFIRZOOV-UHFFFAOYSA-N -1 3 299.374 3.147 20 0 CGADHM C[C@@H](N(C)C(=O)c1cc(=O)c2ccccc2[n-]1)C(C)(C)C ZINC000053447833 345121743 /nfs/dbraw/zinc/12/17/43/345121743.db2.gz QCEHGVNHNGQJJK-LLVKDONJSA-N -1 3 286.375 3.035 20 0 CGADHM CCOCc1ccc(CNC(=O)c2c(C)cccc2[O-])cc1 ZINC000623944808 349924094 /nfs/dbraw/zinc/92/40/94/349924094.db2.gz SBDVOJSVUNCUEO-UHFFFAOYSA-N -1 3 299.370 3.167 20 0 CGADHM CC(C)COCCC(=O)Nc1cc(Cl)ccc1[O-] ZINC000067145644 345315778 /nfs/dbraw/zinc/31/57/78/345315778.db2.gz UVNTVJASRQAWTJ-UHFFFAOYSA-N -1 3 271.744 3.047 20 0 CGADHM O=C1[C@H]([N-]c2nc3ccccc3o2)CCN1c1ccccc1 ZINC000068769777 345362081 /nfs/dbraw/zinc/36/20/81/345362081.db2.gz TYVVRNKSAMIXRX-CQSZACIVSA-N -1 3 293.326 3.045 20 0 CGADHM O=C([N-]c1c(F)cc(F)cc1F)c1ccnc(C2CC2)n1 ZINC000072507310 345410850 /nfs/dbraw/zinc/41/08/50/345410850.db2.gz WPGITQSNQHFYHH-UHFFFAOYSA-N -1 3 293.248 3.024 20 0 CGADHM CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccs1 ZINC000075943497 345528145 /nfs/dbraw/zinc/52/81/45/345528145.db2.gz UHLWVNQIHAIWHR-CYBMUJFWSA-N -1 3 295.429 3.048 20 0 CGADHM OCCCCSc1nnc([N-]c2ccccc2F)s1 ZINC000077166170 345558140 /nfs/dbraw/zinc/55/81/40/345558140.db2.gz SZNLUQZPQCYMNQ-UHFFFAOYSA-N -1 3 299.396 3.285 20 0 CGADHM C[C@H](NC(=O)c1ccccc1[O-])c1cccc(F)c1F ZINC000155801893 232224824 /nfs/dbraw/zinc/22/48/24/232224824.db2.gz SKYHGABGFWPCED-VIFPVBQESA-N -1 3 277.270 3.161 20 0 CGADHM Cc1cc(CN2CCC[C@H]3CCC[C@@H]32)oc1C(=O)[O-] ZINC000087777774 345756524 /nfs/dbraw/zinc/75/65/24/345756524.db2.gz WDWIFNSITMXNPG-YPMHNXCESA-N -1 3 263.337 3.051 20 0 CGADHM CCOC[C@H]1CCN(C(=O)c2ccc(C(C)C)cc2[O-])C1 ZINC000081467819 345709756 /nfs/dbraw/zinc/70/97/56/345709756.db2.gz IOKASWOYFVEPNV-ZDUSSCGKSA-N -1 3 291.391 3.014 20 0 CGADHM Cc1nc(C)c(NC(=O)c2cccc(C)c2[O-])s1 ZINC000081559701 345712955 /nfs/dbraw/zinc/71/29/55/345712955.db2.gz RFHNSNWNEJEMQW-UHFFFAOYSA-N -1 3 262.334 3.026 20 0 CGADHM CCOc1cc(NC(=O)c2c([O-])cccc2O)ccc1C ZINC000092120857 345831633 /nfs/dbraw/zinc/83/16/33/345831633.db2.gz CITBTBJECKEQHK-UHFFFAOYSA-N -1 3 287.315 3.057 20 0 CGADHM O=S(=O)(CCC1CC1)[N-]c1cc(F)cc(Cl)c1 ZINC000092277852 345834532 /nfs/dbraw/zinc/83/45/32/345834532.db2.gz MCYOLOCLKJNUAF-UHFFFAOYSA-N -1 3 277.748 3.021 20 0 CGADHM Cc1cccc2c(=O)c(C(=O)N3CC[C@@H](C)[C@@H](C)C3)c[n-]c12 ZINC000165450468 232261565 /nfs/dbraw/zinc/26/15/65/232261565.db2.gz HOKQRIWVGZQUIN-YPMHNXCESA-N -1 3 298.386 3.367 20 0 CGADHM CCc1cccc(C(=O)N(C)[C@@H](C)c2ccco2)c1[O-] ZINC000093939816 345892625 /nfs/dbraw/zinc/89/26/25/345892625.db2.gz IPSCUOCXTALRGU-NSHDSACASA-N -1 3 273.332 3.381 20 0 CGADHM CCc1nnc([N-]C(=O)c2cc3cc(F)ccc3o2)s1 ZINC000117567207 345984271 /nfs/dbraw/zinc/98/42/71/345984271.db2.gz SWVRLRZLNFNNQH-UHFFFAOYSA-N -1 3 291.307 3.238 20 0 CGADHM Cc1nc(C)c(C(=O)[N-]c2cc(-c3ccccc3)on2)o1 ZINC000175253499 232315708 /nfs/dbraw/zinc/31/57/08/232315708.db2.gz GUHGBGCLPJCIRT-UHFFFAOYSA-N -1 3 283.287 3.199 20 0 CGADHM C[C@]1(C(=O)[O-])CCCN(Cc2cc(F)ccc2Cl)C1 ZINC000124462567 346013019 /nfs/dbraw/zinc/01/30/19/346013019.db2.gz FXDVYZQJKWOXLG-AWEZNQCLSA-N -1 3 285.746 3.166 20 0 CGADHM Cc1cc(C(=O)Nc2cccc([O-])c2F)c(F)cc1F ZINC000128436678 346040366 /nfs/dbraw/zinc/04/03/66/346040366.db2.gz IPQZMUQCSRMAFO-UHFFFAOYSA-N -1 3 281.233 3.370 20 0 CGADHM Cc1cc(NC[C@H](C)CC(=O)[O-])c2ccccc2n1 ZINC000147452648 346126537 /nfs/dbraw/zinc/12/65/37/346126537.db2.gz SKSUEBJGYNOXER-SNVBAGLBSA-N -1 3 258.321 3.066 20 0 CGADHM Cc1sc(C(=O)[O-])cc1CN1C[C@@H](C)S[C@@H](C)C1 ZINC000155986090 346156310 /nfs/dbraw/zinc/15/63/10/346156310.db2.gz TUQWRQSDZBHABN-DTORHVGOSA-N -1 3 285.434 3.081 20 0 CGADHM CSc1ccc(C=Cc2nc(C)cc(=O)[n-]2)cc1 ZINC000167640928 346189237 /nfs/dbraw/zinc/18/92/37/346189237.db2.gz ZRPDMWCAGQSASA-YVMONPNESA-N -1 3 258.346 3.383 20 0 CGADHM O=C(Cc1ccc([O-])cc1Cl)N[C@H]1CC2CCC1CC2 ZINC000351692754 219177693 /nfs/dbraw/zinc/17/76/93/219177693.db2.gz LITWBGCTXHGDPW-NWHVRFAMSA-N -1 3 293.794 3.283 20 0 CGADHM C[C@@H](Cc1ccsc1)NC(=O)c1cc([O-])ccc1Cl ZINC000235126363 346333666 /nfs/dbraw/zinc/33/36/66/346333666.db2.gz OKMZTTBXGGHIEB-VIFPVBQESA-N -1 3 295.791 3.468 20 0 CGADHM COc1ccc(CNCc2cccc([O-])c2Cl)cc1O ZINC000339217159 215019427 /nfs/dbraw/zinc/01/94/27/215019427.db2.gz HFZJYWIMTZLJMA-UHFFFAOYSA-N -1 3 293.750 3.050 20 0 CGADHM CSC[C@H]1CCCN1Cc1cc(C(=O)[O-])sc1C ZINC000400061676 346588986 /nfs/dbraw/zinc/58/89/86/346588986.db2.gz ZTQPBYPRTHBDAZ-LLVKDONJSA-N -1 3 285.434 3.082 20 0 CGADHM Cc1nc(C)c(CCNCc2cccc([O-])c2Cl)s1 ZINC000339250037 215041026 /nfs/dbraw/zinc/04/10/26/215041026.db2.gz ZQJGFQXXLLXRJH-UHFFFAOYSA-N -1 3 296.823 3.451 20 0 CGADHM O=c1cc(Cl)[n-]c2cccc(Br)c12 ZINC000585681260 346726562 /nfs/dbraw/zinc/72/65/62/346726562.db2.gz CKVQMGRKLFOIBP-UHFFFAOYSA-N -1 3 258.502 3.356 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2cnc3c(F)cccc3c2)n1 ZINC000351774824 219202431 /nfs/dbraw/zinc/20/24/31/219202431.db2.gz OBNDNGCIXBHMRW-UHFFFAOYSA-N -1 3 297.289 3.035 20 0 CGADHM C[C@H](N(C)Cc1c(F)ccc([O-])c1F)C1(C)CC1 ZINC000351774191 219201343 /nfs/dbraw/zinc/20/13/43/219201343.db2.gz JXAQRKAPRGPEBE-VIFPVBQESA-N -1 3 255.308 3.291 20 0 CGADHM CCc1cc(C(=O)NCCC2(CSC)CC2)ccc1[O-] ZINC000597986604 347615194 /nfs/dbraw/zinc/61/51/94/347615194.db2.gz AXQUDMOAAZAUAV-UHFFFAOYSA-N -1 3 293.432 3.218 20 0 CGADHM CSCC1CCC(NC(=O)c2c(C)cccc2[O-])CC1 ZINC000599985919 347777382 /nfs/dbraw/zinc/77/73/82/347777382.db2.gz SKBYSWCEXHETAO-UHFFFAOYSA-N -1 3 293.432 3.352 20 0 CGADHM [O-]c1cccc(CN[C@H](CO)CC2CCCC2)c1Cl ZINC000339334405 215101358 /nfs/dbraw/zinc/10/13/58/215101358.db2.gz KSCRVNJAAOLTNI-ZDUSSCGKSA-N -1 3 283.799 3.076 20 0 CGADHM C[S@@](=O)c1cccc(NCc2c(F)ccc([O-])c2F)c1 ZINC000351878116 219235696 /nfs/dbraw/zinc/23/56/96/219235696.db2.gz RVQZABAWJWSFDI-HXUWFJFHSA-N -1 3 297.326 3.020 20 0 CGADHM CC(C)[C@@H](C)C[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000606907214 348206844 /nfs/dbraw/zinc/20/68/44/348206844.db2.gz CBQVCJYOZNKCRT-VIFPVBQESA-N -1 3 293.791 3.050 20 0 CGADHM O=C(N=c1cc(-c2cccc(Cl)c2)[n-][nH]1)C1CC=CC1 ZINC000607189769 348230145 /nfs/dbraw/zinc/23/01/45/348230145.db2.gz DKQJBAUBVUWQIY-UHFFFAOYSA-N -1 3 287.750 3.057 20 0 CGADHM O=C(c1c[n-]c2ccccc2c1=O)N1C2CCCC1CCC2 ZINC000608471504 348310923 /nfs/dbraw/zinc/31/09/23/348310923.db2.gz NRXFUYUOZSVCLF-UHFFFAOYSA-N -1 3 296.370 3.075 20 0 CGADHM CC(C)(C)O[C@@H]1C[C@H]1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000612754134 348544269 /nfs/dbraw/zinc/54/42/69/348544269.db2.gz BNOPLWDFWJCBJA-BXKDBHETSA-N -1 3 283.755 3.188 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])C1CCC2(CC2)CC1 ZINC000613026374 348559896 /nfs/dbraw/zinc/55/98/96/348559896.db2.gz GSCGMBHEJSDYJE-UHFFFAOYSA-N -1 3 263.312 3.440 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])[C@@H]1CCCC2(CC2)C1 ZINC000613027215 348560138 /nfs/dbraw/zinc/56/01/38/348560138.db2.gz KASTVSOJWWMNRE-SNVBAGLBSA-N -1 3 263.312 3.440 20 0 CGADHM CSc1ccc([O-])c(C(=O)N[C@@H](C)CC(F)(F)F)c1 ZINC000613559554 348618230 /nfs/dbraw/zinc/61/82/30/348618230.db2.gz JGWXEOLVDPVSKF-ZETCQYMHSA-N -1 3 293.310 3.185 20 0 CGADHM CO[C@@H]1CC[C@H](C(=O)N2CC[C@@H](C)c3cccc([O-])c32)C1 ZINC000613573764 348619661 /nfs/dbraw/zinc/61/96/61/348619661.db2.gz BQNHKCLBXGQGAB-FRRDWIJNSA-N -1 3 289.375 3.048 20 0 CGADHM O=[S@@](Cc1ccn(C2CCCC2)n1)c1cccc([O-])c1 ZINC000273467630 192164556 /nfs/dbraw/zinc/16/45/56/192164556.db2.gz IRPZFLVURAGXID-FQEVSTJZSA-N -1 3 290.388 3.012 20 0 CGADHM O=C(c1ccc2c(c1[O-])CCCC2)N1CC[C@@H]1C(F)(F)F ZINC000615029951 348709207 /nfs/dbraw/zinc/70/92/07/348709207.db2.gz LUJWYBIQPRAZKZ-GFCCVEGCSA-N -1 3 299.292 3.048 20 0 CGADHM O=C(NCc1ccc([O-])c2ncccc12)C12CCC(CC1)C2 ZINC000616023248 348782520 /nfs/dbraw/zinc/78/25/20/348782520.db2.gz QQKMTJCCEXQHMQ-UHFFFAOYSA-N -1 3 296.370 3.137 20 0 CGADHM CCc1cccc(C(=O)N2[C@@H](C)CCC2(C)C)c1[O-] ZINC000616164664 348792531 /nfs/dbraw/zinc/79/25/31/348792531.db2.gz FNUNIROWBKOMHN-NSHDSACASA-N -1 3 261.365 3.358 20 0 CGADHM CSc1ccc([O-])c(C(=O)N2C[C@H](C)[C@H](C)[C@@H]2C)c1 ZINC000616343181 348811842 /nfs/dbraw/zinc/81/18/42/348811842.db2.gz BFVSTASCABTMLZ-DCAQKATOSA-N -1 3 279.405 3.231 20 0 CGADHM O=C(c1cc2c(cc1[O-])CCCC2)N1C[C@@H]2CCCC[C@@H]21 ZINC000616726309 348874869 /nfs/dbraw/zinc/87/48/69/348874869.db2.gz VDFILOYWPWLIPU-HOCLYGCPSA-N -1 3 285.387 3.286 20 0 CGADHM CC(C)[C@@H]1C[C@@H]1C(=O)Nc1ccc([O-])cc1Cl ZINC000616940958 348885032 /nfs/dbraw/zinc/88/50/32/348885032.db2.gz LJCMHJNTOUCGNB-UWVGGRQHSA-N -1 3 253.729 3.276 20 0 CGADHM CO[C@@H]1CCC[C@@H](C(=O)Nc2ccc([O-])cc2Cl)C1 ZINC000616939633 348885165 /nfs/dbraw/zinc/88/51/65/348885165.db2.gz IPIWCBANEXPKPU-MWLCHTKSSA-N -1 3 283.755 3.189 20 0 CGADHM CC(C)CCO[C@H](C)C(=O)Nc1ccc([O-])cc1Cl ZINC000616942258 348885432 /nfs/dbraw/zinc/88/54/32/348885432.db2.gz WUZSIXIHVIXYAG-SNVBAGLBSA-N -1 3 285.771 3.435 20 0 CGADHM C[C@H](CC(=O)Nc1ccc([O-])cc1Cl)[C@@H]1CCCO1 ZINC000616942988 348885933 /nfs/dbraw/zinc/88/59/33/348885933.db2.gz KILRNSUSIYBXAI-RNCFNFMXSA-N -1 3 283.755 3.189 20 0 CGADHM C[C@H](CC(=O)Nc1ccc([O-])cc1Cl)[C@H]1CCCO1 ZINC000616942987 348885985 /nfs/dbraw/zinc/88/59/85/348885985.db2.gz KILRNSUSIYBXAI-NOZJJQNGSA-N -1 3 283.755 3.189 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CC[C@H]3CCCC[C@H]3C2)o1 ZINC000358461319 233135541 /nfs/dbraw/zinc/13/55/41/233135541.db2.gz DKCPQAYYJGLZII-HZSPNIEDSA-N -1 3 297.420 3.225 20 0 CGADHM CCOC1CCN(C(=O)c2ccc(C(C)C)cc2[O-])CC1 ZINC000617377406 348953421 /nfs/dbraw/zinc/95/34/21/348953421.db2.gz KMUGKBWVOGPJOA-UHFFFAOYSA-N -1 3 291.391 3.157 20 0 CGADHM C[C@H]1CC(CNC(=O)Cc2ccc([O-])c(F)c2)C[C@H](C)C1 ZINC000617669601 349001024 /nfs/dbraw/zinc/00/10/24/349001024.db2.gz NHEIMMQQSWQHRM-VXGBXAGGSA-N -1 3 293.382 3.262 20 0 CGADHM Cc1cccc(-c2n[nH]cc2C=Cc2nc(C)cc(=O)[n-]2)c1 ZINC000352026984 219293172 /nfs/dbraw/zinc/29/31/72/219293172.db2.gz MIDLJHFGGCTEFX-SREVYHEPSA-N -1 3 292.342 3.360 20 0 CGADHM CCc1ccc(C(=O)Nc2ccc3c(c2)CCOC3)c([O-])c1 ZINC000618850926 349163082 /nfs/dbraw/zinc/16/30/82/349163082.db2.gz KPCPPDGJDWTCGA-UHFFFAOYSA-N -1 3 297.354 3.280 20 0 CGADHM CC[C@H](NC(=O)c1cc(SC)ccc1[O-])C1CC1 ZINC000618861431 349165659 /nfs/dbraw/zinc/16/56/59/349165659.db2.gz YGOPYHOWMLELOR-LBPRGKRZSA-N -1 3 265.378 3.033 20 0 CGADHM COc1ccc2c(c1)N(C(=O)c1cccc(C)c1[O-])CCC2 ZINC000619933790 349293080 /nfs/dbraw/zinc/29/30/80/349293080.db2.gz LKYOPYUMXJYHNW-UHFFFAOYSA-N -1 3 297.354 3.302 20 0 CGADHM COc1ccc([O-])c(C(=O)N2CCC[C@H](C3CCC3)C2)c1 ZINC000620215158 349341814 /nfs/dbraw/zinc/34/18/14/349341814.db2.gz NJVHFOBZGQNIQP-ZDUSSCGKSA-N -1 3 289.375 3.053 20 0 CGADHM Cc1occc1CNC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000620396322 349369753 /nfs/dbraw/zinc/36/97/53/349369753.db2.gz KGCGGJYXSOSSFW-UHFFFAOYSA-N -1 3 285.343 3.102 20 0 CGADHM Cc1ccc(CN(C(=O)c2c(C)cccc2[O-])C2CC2)o1 ZINC000624278216 350017422 /nfs/dbraw/zinc/01/74/22/350017422.db2.gz ZDCOESWKDNZWAB-UHFFFAOYSA-N -1 3 285.343 3.407 20 0 CGADHM [O-]c1ccc(Cl)c(CN2CCC[C@@H](OCC3CC3)C2)c1 ZINC000625337688 350160755 /nfs/dbraw/zinc/16/07/55/350160755.db2.gz WKOTYLJAGMYTNK-OAHLLOKOSA-N -1 3 295.810 3.437 20 0 CGADHM C[C@H]1COC(C)(C)CN1Cc1cc([O-])ccc1Cl ZINC000625372700 350164861 /nfs/dbraw/zinc/16/48/61/350164861.db2.gz JCOXPFXPUAYEAK-JTQLQIEISA-N -1 3 269.772 3.045 20 0 CGADHM [O-]c1ccc(Cl)c(CN2CCC[C@@H]2[C@@H]2CCCO2)c1 ZINC000625401858 350167578 /nfs/dbraw/zinc/16/75/78/350167578.db2.gz BZOOWZFFKCQQSA-CABCVRRESA-N -1 3 281.783 3.189 20 0 CGADHM Cc1ccc(C(=O)N([C@@H](C)C2CC2)C2CC2)c([O-])c1C ZINC000271288849 191053310 /nfs/dbraw/zinc/05/33/10/191053310.db2.gz RLXGHABUHPBXKE-LBPRGKRZSA-N -1 3 273.376 3.412 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1[C@H](C)C[C@H]2CCCC[C@@H]21 ZINC000625695448 350196701 /nfs/dbraw/zinc/19/67/01/350196701.db2.gz NONXLMGDCQCRPF-MCIONIFRSA-N -1 3 273.376 3.494 20 0 CGADHM C[C@@H]1COC2(CCC2)CN1Cc1cc([O-])ccc1Cl ZINC000625535837 350182265 /nfs/dbraw/zinc/18/22/65/350182265.db2.gz XPMSTZOOZXRZTI-LLVKDONJSA-N -1 3 281.783 3.189 20 0 CGADHM CCC(O)(CC)CN(C)Cc1cc([O-])ccc1Cl ZINC000626111856 350263226 /nfs/dbraw/zinc/26/32/26/350263226.db2.gz CUUFYEKBFFGLBM-UHFFFAOYSA-N -1 3 271.788 3.029 20 0 CGADHM CCc1cnccc1[C@H](C)NC(=O)c1c(C)cccc1[O-] ZINC000626356746 350298727 /nfs/dbraw/zinc/29/87/27/350298727.db2.gz SOLUKYKUSOJANY-LBPRGKRZSA-N -1 3 284.359 3.149 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CCC(c2ccccn2)CC1 ZINC000626257391 350288902 /nfs/dbraw/zinc/28/89/02/350288902.db2.gz AMPPSDMDTIZAQK-UHFFFAOYSA-N -1 3 296.370 3.115 20 0 CGADHM CCc1onc(C)c1[N-]C(=O)c1coc(C(F)F)c1 ZINC000626289067 350292311 /nfs/dbraw/zinc/29/23/11/350292311.db2.gz ATIOTPMTAOBVHK-UHFFFAOYSA-N -1 3 270.235 3.328 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CCSC(C)(C)CC1 ZINC000626706689 350334078 /nfs/dbraw/zinc/33/40/78/350334078.db2.gz SYABYMIGGQDXME-UHFFFAOYSA-N -1 3 279.405 3.058 20 0 CGADHM Cc1cccc([O-])c1C(=O)N[C@H](C1CC1)C1CCC1 ZINC000627705251 350376581 /nfs/dbraw/zinc/37/65/81/350376581.db2.gz IKSMFDSXVUGTDB-HNNXBMFYSA-N -1 3 259.349 3.009 20 0 CGADHM CCc1ccc(C(=O)N2CCCC(F)(F)CC2)c([O-])c1 ZINC000628632148 350580169 /nfs/dbraw/zinc/58/01/69/350580169.db2.gz GCELFSDBLWFPCY-UHFFFAOYSA-N -1 3 283.318 3.216 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CCCC(F)(F)CC2)c1 ZINC000628634490 350580727 /nfs/dbraw/zinc/58/07/27/350580727.db2.gz RRNGMHCGPUSJIG-UHFFFAOYSA-N -1 3 283.318 3.216 20 0 CGADHM CC(C)c1ccc(C(=O)N(C2CC2)C2CC2)c([O-])c1 ZINC000628815604 350605612 /nfs/dbraw/zinc/60/56/12/350605612.db2.gz QLXKVRXHWJIBLT-UHFFFAOYSA-N -1 3 259.349 3.283 20 0 CGADHM CCC(F)(F)C(C)(C)CNC(=O)c1cccc([O-])c1 ZINC000628886252 350618439 /nfs/dbraw/zinc/61/84/39/350618439.db2.gz CBGQIUTZQSXLKK-UHFFFAOYSA-N -1 3 271.307 3.194 20 0 CGADHM CC[C@@H](C)c1cccc([N-]S(=O)(=O)C[C@H](CC)OC)c1 ZINC000629313377 350674926 /nfs/dbraw/zinc/67/49/26/350674926.db2.gz JTLYGQSGKWZHCX-DOMZBBRYSA-N -1 3 299.436 3.367 20 0 CGADHM CC(C)CCN(CCC(C)C)Cc1cnc(C(=O)[O-])cn1 ZINC000629359103 350676518 /nfs/dbraw/zinc/67/65/18/350676518.db2.gz OITCHEVSCCRXOC-UHFFFAOYSA-N -1 3 293.411 3.069 20 0 CGADHM CC(C)=CCCN1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC000629367296 350679439 /nfs/dbraw/zinc/67/94/39/350679439.db2.gz PZNOEHOBJMSHTL-UHFFFAOYSA-N -1 3 277.339 3.238 20 0 CGADHM O=C([O-])[C@@H]1CCN(Cc2ccc(Cl)s2)[C@H]2CCC[C@H]21 ZINC000629373958 350682703 /nfs/dbraw/zinc/68/27/03/350682703.db2.gz QRVCIFSWPDWBLA-TUAOUCFPSA-N -1 3 299.823 3.477 20 0 CGADHM CCc1cc(C(=O)N2C[C@@H]3CCCC[C@@]32C)ccc1[O-] ZINC000629620174 350721651 /nfs/dbraw/zinc/72/16/51/350721651.db2.gz VERXEINMCTUUTR-YOEHRIQHSA-N -1 3 273.376 3.359 20 0 CGADHM C/C=C\C[C@@H]1CCCN(C(=O)c2cccc(OC)c2[O-])C1 ZINC000629875236 350782825 /nfs/dbraw/zinc/78/28/25/350782825.db2.gz AYURGGRNCXQGQB-DHCBQETCSA-N -1 3 289.375 3.219 20 0 CGADHM Cc1cc(C)c(-c2cc(=NC(=O)C34CC(C3)C4)[nH][n-]2)cc1C ZINC000629950973 350789728 /nfs/dbraw/zinc/78/97/28/350789728.db2.gz JMCLASMGGRVJGV-UHFFFAOYSA-N -1 3 295.386 3.162 20 0 CGADHM C[C@@H](c1ccccc1)S(=O)(=O)c1ncc(C(C)(C)C)[n-]1 ZINC000630437236 350840622 /nfs/dbraw/zinc/84/06/22/350840622.db2.gz ZCMAWEXKSXBLER-NSHDSACASA-N -1 3 292.404 3.242 20 0 CGADHM C[C@@H](c1ccccc1)S(=O)(=O)c1nc(C(C)(C)C)c[n-]1 ZINC000630437236 350840624 /nfs/dbraw/zinc/84/06/24/350840624.db2.gz ZCMAWEXKSXBLER-NSHDSACASA-N -1 3 292.404 3.242 20 0 CGADHM Cc1ccc(NC(=O)C(C)(C)[C@@H]2CCCCO2)c([O-])c1 ZINC000630439084 350840883 /nfs/dbraw/zinc/84/08/83/350840883.db2.gz MGYCBCWQVPINSX-AWEZNQCLSA-N -1 3 277.364 3.234 20 0 CGADHM O=C([O-])[C@@H]1CCC[C@@H]1NCc1ccc(Cl)cc1Cl ZINC000630478131 350846677 /nfs/dbraw/zinc/84/66/77/350846677.db2.gz GCAKFNVCADDOOW-PWSUYJOCSA-N -1 3 288.174 3.336 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)[C@@H]2C[C@@H](C)O[C@H]2C)c1[O-] ZINC000632147093 351172879 /nfs/dbraw/zinc/17/28/79/351172879.db2.gz BHJMTJXWFDHWGF-WCABBAIRSA-N -1 3 283.755 3.106 20 0 CGADHM Cc1cccc(C(=O)N2CCC[C@@H](c3cccnc3)C2)c1[O-] ZINC000633543541 351320052 /nfs/dbraw/zinc/32/00/52/351320052.db2.gz PRVJEZLDXQHTJI-OAHLLOKOSA-N -1 3 296.370 3.115 20 0 CGADHM CSc1ccc([O-])c(C(=O)N2CCC(CCF)CC2)c1 ZINC000633961373 351404636 /nfs/dbraw/zinc/40/46/36/351404636.db2.gz AAWVHTPDISHDGY-UHFFFAOYSA-N -1 3 297.395 3.326 20 0 CGADHM O=C(c1cc([O-])ccc1Cl)N1CCC(CCF)CC1 ZINC000633961142 351404821 /nfs/dbraw/zinc/40/48/21/351404821.db2.gz CLSMFGOAVZJAGR-UHFFFAOYSA-N -1 3 285.746 3.257 20 0 CGADHM Cc1ccc(CNC(=O)CCCc2ccc([O-])c(F)c2)o1 ZINC000634312636 351465177 /nfs/dbraw/zinc/46/51/77/351465177.db2.gz WITHVBTXJBLDQM-UHFFFAOYSA-N -1 3 291.322 3.072 20 0 CGADHM CCc1cc(C(=O)N(C)C2CCCCC2)ccc1[O-] ZINC000291408349 198013126 /nfs/dbraw/zinc/01/31/26/198013126.db2.gz FKTLASGHXAUJSX-UHFFFAOYSA-N -1 3 261.365 3.359 20 0 CGADHM Cc1cc(OCCCOC(C)(C)C)cc2occ([O-])c21 ZINC000634560867 351514859 /nfs/dbraw/zinc/51/48/59/351514859.db2.gz ATQNJNOMTKGNQD-UHFFFAOYSA-N -1 3 278.348 3.154 20 0 CGADHM C[C@@H]1CCc2[n-]n([C@H]3CCc4c3cccc4F)c(=O)c21 ZINC000634632288 351554547 /nfs/dbraw/zinc/55/45/47/351554547.db2.gz NUZXWRRMFIELHQ-TURNYIBQSA-N -1 3 272.323 3.057 20 0 CGADHM Cc1ccc(-c2nc(COC3CCC3)no2)c([O-])c1C ZINC000634671946 351559786 /nfs/dbraw/zinc/55/97/86/351559786.db2.gz ATWZWDZZIVHXCP-UHFFFAOYSA-N -1 3 274.320 3.128 20 0 CGADHM CCc1cc(C(=O)NCCC[C@@H]2CCCCO2)ccc1[O-] ZINC000291675203 198059424 /nfs/dbraw/zinc/05/94/24/198059424.db2.gz MEVIGKLRWMUHKX-HNNXBMFYSA-N -1 3 291.391 3.034 20 0 CGADHM CC(C)(C)c1nnc([N-]C(=O)c2cccc(Cl)n2)s1 ZINC000121877300 187002268 /nfs/dbraw/zinc/00/22/68/187002268.db2.gz KWASKGSMQMTPBH-UHFFFAOYSA-N -1 3 296.783 3.136 20 0 CGADHM CCc1ccc(C(=O)CCC(=O)[N-]OC/C=C/Cl)cc1 ZINC000291948841 198114226 /nfs/dbraw/zinc/11/42/26/198114226.db2.gz WMXFESWAQRLACJ-XCVCLJGOSA-N -1 3 295.766 3.012 20 0 CGADHM CCN(C(=O)c1cccc(C)c1[O-])c1nc(C)cs1 ZINC000153000339 188059274 /nfs/dbraw/zinc/05/92/74/188059274.db2.gz XSJMSGXVQUZOQW-UHFFFAOYSA-N -1 3 276.361 3.132 20 0 CGADHM O=C(C[C@@H]1C=CCC1)Nc1ccc(Cl)cc1[O-] ZINC000153498237 188085742 /nfs/dbraw/zinc/08/57/42/188085742.db2.gz ZZAPSFSIDRTYPE-SECBINFHSA-N -1 3 251.713 3.340 20 0 CGADHM CCCCc1nnc([N-]C(=O)c2c(C)nsc2C)s1 ZINC000292392478 198270898 /nfs/dbraw/zinc/27/08/98/198270898.db2.gz BWDDBMNANWVCLQ-UHFFFAOYSA-N -1 3 296.421 3.206 20 0 CGADHM CCCc1ccccc1NC([O-])=NO[C@@H]1CCCCO1 ZINC000155665456 188220233 /nfs/dbraw/zinc/22/02/33/188220233.db2.gz MIRAKOBIBPLCON-CQSZACIVSA-N -1 3 278.352 3.219 20 0 CGADHM CCCc1ccccc1NC(=O)[N-]O[C@@H]1CCCCO1 ZINC000155665456 188220235 /nfs/dbraw/zinc/22/02/35/188220235.db2.gz MIRAKOBIBPLCON-CQSZACIVSA-N -1 3 278.352 3.219 20 0 CGADHM CC(C)c1ccc(NC([O-])=NO[C@@H]2CCCCO2)cc1 ZINC000155450001 188207538 /nfs/dbraw/zinc/20/75/38/188207538.db2.gz NVGPDNRRXQYIIT-CQSZACIVSA-N -1 3 278.352 3.390 20 0 CGADHM CC(C)c1ccc(NC(=O)[N-]O[C@@H]2CCCCO2)cc1 ZINC000155450001 188207539 /nfs/dbraw/zinc/20/75/39/188207539.db2.gz NVGPDNRRXQYIIT-CQSZACIVSA-N -1 3 278.352 3.390 20 0 CGADHM Cc1ccc(C)c(NC([O-])=NOCCC(F)(F)F)c1 ZINC000156057431 188241146 /nfs/dbraw/zinc/24/11/46/188241146.db2.gz CEDCIVKEDWLSHE-UHFFFAOYSA-N -1 3 276.258 3.309 20 0 CGADHM Cc1ccc(C)c(NC(=O)[N-]OCCC(F)(F)F)c1 ZINC000156057431 188241147 /nfs/dbraw/zinc/24/11/47/188241147.db2.gz CEDCIVKEDWLSHE-UHFFFAOYSA-N -1 3 276.258 3.309 20 0 CGADHM Cc1ccc2c(c1)CC[C@@H]2[N-]c1nnc(C(F)F)o1 ZINC000292547156 198328085 /nfs/dbraw/zinc/32/80/85/198328085.db2.gz RENLNGXLTPCFRZ-JTQLQIEISA-N -1 3 265.263 3.415 20 0 CGADHM CCOCCC1(C(=O)Nc2ccccc2[O-])CCCC1 ZINC000157892620 188344921 /nfs/dbraw/zinc/34/49/21/188344921.db2.gz CWBZKNBMPMPVFE-UHFFFAOYSA-N -1 3 277.364 3.318 20 0 CGADHM O=S(=O)([N-]c1cc(F)cc(F)c1F)C1=CCCCC1 ZINC000295182038 199391425 /nfs/dbraw/zinc/39/14/25/199391425.db2.gz IWRMGUHQBTWKGE-UHFFFAOYSA-N -1 3 291.294 3.304 20 0 CGADHM Cc1ccc(Cl)c(NC(=O)[N-]OCC2CC2)c1 ZINC000292740200 198394903 /nfs/dbraw/zinc/39/49/03/198394903.db2.gz NDKLNSRRDPFGJP-UHFFFAOYSA-N -1 3 254.717 3.112 20 0 CGADHM Cc1ccc(NC(=O)[N-]OCC2CC2)c(Cl)c1 ZINC000292723834 198389566 /nfs/dbraw/zinc/38/95/66/198389566.db2.gz HXWXVOGKIHCVTM-UHFFFAOYSA-N -1 3 254.717 3.112 20 0 CGADHM COc1cc(C(=O)N(C)[C@@H]2CCc3ccccc32)ccc1[O-] ZINC000336388833 213245568 /nfs/dbraw/zinc/24/55/68/213245568.db2.gz CJJCYTKFKPNTIW-OAHLLOKOSA-N -1 3 297.354 3.160 20 0 CGADHM Cc1cc(N(C)C)ccc1NC([O-])=NOC1CCCC1 ZINC000271779224 191321366 /nfs/dbraw/zinc/32/13/66/191321366.db2.gz HHXCBZBGCQKCEB-UHFFFAOYSA-N -1 3 277.368 3.057 20 0 CGADHM Cc1cc(N(C)C)ccc1NC(=O)[N-]OC1CCCC1 ZINC000271779224 191321368 /nfs/dbraw/zinc/32/13/68/191321368.db2.gz HHXCBZBGCQKCEB-UHFFFAOYSA-N -1 3 277.368 3.057 20 0 CGADHM Cc1ccc([O-])c(C(=O)N(C)[C@H](C)c2ccco2)c1 ZINC000123980123 138372074 /nfs/dbraw/zinc/37/20/74/138372074.db2.gz QOYDJPXVLOUGPY-LLVKDONJSA-N -1 3 259.305 3.127 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2C[C@H](C)C[C@H]2c2cccnc2)c1 ZINC000182836012 138432027 /nfs/dbraw/zinc/43/20/27/138432027.db2.gz BYMSHTJTPJXXIM-CJNGLKHVSA-N -1 3 296.370 3.319 20 0 CGADHM FC(F)c1nnc([N-]Cc2cnc(-c3ccco3)s2)o1 ZINC000192759870 138480319 /nfs/dbraw/zinc/48/03/19/138480319.db2.gz YZUYSYAYUJPBKZ-UHFFFAOYSA-N -1 3 298.274 3.336 20 0 CGADHM Cc1cc([C@H](C)NCc2cccc(C(=O)[O-])c2)c(C)o1 ZINC000235516900 138513232 /nfs/dbraw/zinc/51/32/32/138513232.db2.gz RCCONRSYZJFXOI-NSHDSACASA-N -1 3 273.332 3.445 20 0 CGADHM [O-]c1ccc(F)c(CN[C@@H]2C[C@]2(F)c2ccccc2)c1F ZINC000425356261 236235375 /nfs/dbraw/zinc/23/53/75/236235375.db2.gz QAYWTXSHLHMHBF-ZBFHGGJFSA-N -1 3 293.288 3.397 20 0 CGADHM O=C(NC1CCC1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436482485 237115114 /nfs/dbraw/zinc/11/51/14/237115114.db2.gz ICELSXYAIUYTEE-UHFFFAOYSA-N -1 3 281.355 3.265 20 0 CGADHM Cc1ccc(C(=O)NCc2c(F)cc(F)cc2F)c([O-])c1 ZINC000436654833 237152434 /nfs/dbraw/zinc/15/24/34/237152434.db2.gz JMVHQVBPHSBWPJ-UHFFFAOYSA-N -1 3 295.260 3.048 20 0 CGADHM O=C(NCC1CC1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436595468 237139798 /nfs/dbraw/zinc/13/97/98/237139798.db2.gz MKRIEGRVARZTDT-UHFFFAOYSA-N -1 3 281.355 3.123 20 0 CGADHM COc1cc(-c2noc(-c3sccc3C)n2)ccc1[O-] ZINC000436791379 237183348 /nfs/dbraw/zinc/18/33/48/237183348.db2.gz REFYHFDHUAGXPR-UHFFFAOYSA-N -1 3 288.328 3.488 20 0 CGADHM Cc1cc(C(=O)N[C@@H]2C[C@@H](OC(C)C)C2(C)C)ccc1[O-] ZINC000436809716 237186028 /nfs/dbraw/zinc/18/60/28/237186028.db2.gz POHDWGCXKRITPG-HUUCEWRRSA-N -1 3 291.391 3.023 20 0 CGADHM O=c1[nH]c(CSCc2ccccc2)nc2ccc([O-])cc12 ZINC000436700577 237160734 /nfs/dbraw/zinc/16/07/34/237160734.db2.gz WNDCJVNMSWGNNM-UHFFFAOYSA-N -1 3 298.367 3.474 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CC[C@@]3(CC[C@H](C)C3)C2)c1 ZINC000436705238 237163435 /nfs/dbraw/zinc/16/34/35/237163435.db2.gz OMCUFSOEGNCJAT-SUMWQHHRSA-N -1 3 273.376 3.353 20 0 CGADHM [O-]C(=NOCc1ccccc1)Nc1cccc(C2CC2)n1 ZINC000296872136 200021325 /nfs/dbraw/zinc/02/13/25/200021325.db2.gz LRJMTBBEMJZBEI-UHFFFAOYSA-N -1 3 283.331 3.212 20 0 CGADHM O=C([N-]OCc1ccccc1)Nc1cccc(C2CC2)n1 ZINC000296872136 200021327 /nfs/dbraw/zinc/02/13/27/200021327.db2.gz LRJMTBBEMJZBEI-UHFFFAOYSA-N -1 3 283.331 3.212 20 0 CGADHM C[C@H](CF)NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436738534 237169415 /nfs/dbraw/zinc/16/94/15/237169415.db2.gz LYNFSTXJYCYTEZ-GFCCVEGCSA-N -1 3 287.334 3.071 20 0 CGADHM O=C(NCc1ccc2ccccc2c1)c1ccccc1[O-] ZINC000436894365 237203520 /nfs/dbraw/zinc/20/35/20/237203520.db2.gz QVYZMMCKXGIRDY-UHFFFAOYSA-N -1 3 277.323 3.475 20 0 CGADHM COCc1cccc(-c2nc(-c3ccc([O-])cc3)no2)c1 ZINC000436891442 237204808 /nfs/dbraw/zinc/20/48/08/237204808.db2.gz IQOKWRPBAJUROC-UHFFFAOYSA-N -1 3 282.299 3.256 20 0 CGADHM Cc1cccc([O-])c1NC(=O)c1cccc(C(C)C)n1 ZINC000436948987 237215098 /nfs/dbraw/zinc/21/50/98/237215098.db2.gz IYBRFMWFZRXDJC-UHFFFAOYSA-N -1 3 270.332 3.471 20 0 CGADHM CC(C)ON=C([O-])Nc1ccc(Cl)cc1OC(F)F ZINC000297104616 200085510 /nfs/dbraw/zinc/08/55/10/200085510.db2.gz GTUWKACOFPCRQA-UHFFFAOYSA-N -1 3 294.685 3.403 20 0 CGADHM CC(C)O[N-]C(=O)Nc1ccc(Cl)cc1OC(F)F ZINC000297104616 200085512 /nfs/dbraw/zinc/08/55/12/200085512.db2.gz GTUWKACOFPCRQA-UHFFFAOYSA-N -1 3 294.685 3.403 20 0 CGADHM COc1cc(Cl)c(C)cc1NC([O-])=NOC(C)C ZINC000297393377 200174410 /nfs/dbraw/zinc/17/44/10/200174410.db2.gz HKEMUNNRZKSMPX-UHFFFAOYSA-N -1 3 272.732 3.119 20 0 CGADHM COc1cc(Cl)c(C)cc1NC(=O)[N-]OC(C)C ZINC000297393377 200174412 /nfs/dbraw/zinc/17/44/12/200174412.db2.gz HKEMUNNRZKSMPX-UHFFFAOYSA-N -1 3 272.732 3.119 20 0 CGADHM CCOc1cc(CN2C[C@H](C)OC[C@@H]2C)cc(Cl)c1[O-] ZINC000297965845 200310625 /nfs/dbraw/zinc/31/06/25/200310625.db2.gz WWWCNALCFHAYAZ-QWRGUYRKSA-N -1 3 299.798 3.054 20 0 CGADHM COc1ccc([O-])c(C(=O)N([C@@H](C)C(C)C)C2CC2)c1 ZINC000298318554 200393290 /nfs/dbraw/zinc/39/32/90/200393290.db2.gz RNGKKSBHILABRZ-NSHDSACASA-N -1 3 277.364 3.050 20 0 CGADHM CCCCc1nnc([N-]C(=O)c2nc(C)sc2C)s1 ZINC000179198483 189176983 /nfs/dbraw/zinc/17/69/83/189176983.db2.gz PRFAIXYWEVEECF-UHFFFAOYSA-N -1 3 296.421 3.206 20 0 CGADHM CC(=O)c1ccc(C(=O)[N-]c2cc(F)c(F)cc2F)o1 ZINC000335792673 212536534 /nfs/dbraw/zinc/53/65/34/212536534.db2.gz DNBOPAHBPCOEEH-UHFFFAOYSA-N -1 3 283.205 3.152 20 0 CGADHM Cc1ccc(C[N-]c2nnc([C@H]3Cc4ccccc4O3)o2)o1 ZINC000181956734 189310974 /nfs/dbraw/zinc/31/09/74/189310974.db2.gz RUYKYYRIEKUHMM-CQSZACIVSA-N -1 3 297.314 3.259 20 0 CGADHM c1c2ccccc2oc1C[N-]c1nnc([C@H]2CCCO2)o1 ZINC000181970612 189311223 /nfs/dbraw/zinc/31/12/23/189311223.db2.gz CYBKNQBUPFNIAC-CYBMUJFWSA-N -1 3 285.303 3.279 20 0 CGADHM CC[C@@H]1CCCC[C@H]1OCC(=O)Nc1cc(F)ccc1[O-] ZINC000184836708 189396710 /nfs/dbraw/zinc/39/67/10/189396710.db2.gz BLEYTYQJXPVHEF-IAQYHMDHSA-N -1 3 295.354 3.455 20 0 CGADHM CN(Cc1ccco1)C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000184909636 189398537 /nfs/dbraw/zinc/39/85/37/189398537.db2.gz VTUMVMIDUOJGOQ-UHFFFAOYSA-N -1 3 285.343 3.136 20 0 CGADHM C[C@@H]1CCCC[C@@H]1CNC(=O)Cc1ccc([O-])c(F)c1 ZINC000448795064 239052266 /nfs/dbraw/zinc/05/22/66/239052266.db2.gz OVPNALQYCNUXQJ-DGCLKSJQSA-N -1 3 279.355 3.016 20 0 CGADHM CC(C)[C@H]1N(Cc2cc([O-])cc(F)c2)CC12CCOCC2 ZINC000335641193 212358310 /nfs/dbraw/zinc/35/83/10/212358310.db2.gz VZNDPIKQILSJTI-MRXNPFEDSA-N -1 3 293.382 3.168 20 0 CGADHM Cc1ccc([O-])c(CN(C)Cc2nc3ccccc3s2)n1 ZINC000120785190 370800158 /nfs/dbraw/zinc/80/01/58/370800158.db2.gz DABXYQHCNWQLAK-UHFFFAOYSA-N -1 3 299.399 3.337 20 0 CGADHM C[C@@]1(C(=O)Nc2cc(Cl)ccc2[O-])CC1(F)F ZINC000335549941 212253958 /nfs/dbraw/zinc/25/39/58/212253958.db2.gz IXUUCZUIIRMVBH-JTQLQIEISA-N -1 3 261.655 3.029 20 0 CGADHM CCc1cc(=O)[n-]c(CN2CCC[C@@]3(CC=CCC3)C2)n1 ZINC000120982017 370819792 /nfs/dbraw/zinc/81/97/92/370819792.db2.gz QSUZICLYUOPDNF-KRWDZBQOSA-N -1 3 287.407 3.067 20 0 CGADHM CC(C)(CNC(=O)Cc1ccc([O-])c(F)c1)C1=CCCC1 ZINC000457175922 241567114 /nfs/dbraw/zinc/56/71/14/241567114.db2.gz FQTPCRNQEYUOID-UHFFFAOYSA-N -1 3 291.366 3.327 20 0 CGADHM C[C@H]1CN(Cc2cc(=O)[n-]c(C3CC3)n2)c2ccccc21 ZINC000459310720 242066910 /nfs/dbraw/zinc/06/69/10/242066910.db2.gz WYVMOILQDSXLDA-NSHDSACASA-N -1 3 281.359 3.183 20 0 CGADHM O=c1cc(CN2CC[C@@H]2c2ccccc2)nc(C2CC2)[n-]1 ZINC000459355501 242088614 /nfs/dbraw/zinc/08/86/14/242088614.db2.gz JVKZCOUMWCFMFI-OAHLLOKOSA-N -1 3 281.359 3.007 20 0 CGADHM COc1ccc(C(=O)N2CC[C@@H](c3ccccc3)C2)c([O-])c1 ZINC000121520419 370869050 /nfs/dbraw/zinc/86/90/50/370869050.db2.gz GNWQPKQQWBITMX-CQSZACIVSA-N -1 3 297.354 3.031 20 0 CGADHM CO[C@@H]1CCC[C@H](C(=O)Nc2cc(Cl)ccc2[O-])C1 ZINC000343305344 216725872 /nfs/dbraw/zinc/72/58/72/216725872.db2.gz WYPNHUVWAUGIOY-GXSJLCMTSA-N -1 3 283.755 3.189 20 0 CGADHM FC(F)(F)c1csc(=NC[C@@H]2CCC(F)(F)C2)[n-]1 ZINC000485404968 243333323 /nfs/dbraw/zinc/33/33/23/243333323.db2.gz JSLJCYKFHXHJSU-ZCFIWIBFSA-N -1 3 286.269 3.431 20 0 CGADHM CCCC[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000485440005 243334219 /nfs/dbraw/zinc/33/42/19/243334219.db2.gz PITWKSCAIJUOCS-UHFFFAOYSA-N -1 3 282.192 3.072 20 0 CGADHM CCc1cc(C(=O)NC[C@@H](C)c2ccccc2)ccc1[O-] ZINC000485584820 243337441 /nfs/dbraw/zinc/33/74/41/243337441.db2.gz QCMKYKUPTDMRHP-CYBMUJFWSA-N -1 3 283.371 3.488 20 0 CGADHM O=S(=O)([N-]C1CCCCC1)c1ccc(Cl)cc1F ZINC000016089090 368707191 /nfs/dbraw/zinc/70/71/91/368707191.db2.gz ZCFJJAIWXXVYNW-UHFFFAOYSA-N -1 3 291.775 3.090 20 0 CGADHM O=S(=O)([N-]C1CCCC1)c1cc(Cl)cc(Cl)c1 ZINC000016092974 368707873 /nfs/dbraw/zinc/70/78/73/368707873.db2.gz RMWJTPCTJXVANT-UHFFFAOYSA-N -1 3 294.203 3.214 20 0 CGADHM CCOc1ccccc1NC(=O)c1cccc(C)c1[O-] ZINC000019838139 368770520 /nfs/dbraw/zinc/77/05/20/368770520.db2.gz ZLQRPABYVRZHRK-UHFFFAOYSA-N -1 3 271.316 3.352 20 0 CGADHM CCN(C(=O)c1ccc(OC)cc1[O-])C1CCCCC1 ZINC000019839477 368771619 /nfs/dbraw/zinc/77/16/19/368771619.db2.gz FFUGQDAFOCJXCP-UHFFFAOYSA-N -1 3 277.364 3.196 20 0 CGADHM CCc1ccc(CN(C)C(=O)c2ccccc2[O-])cc1 ZINC000023595583 368823207 /nfs/dbraw/zinc/82/32/07/368823207.db2.gz ACICBLZUWQVNQJ-UHFFFAOYSA-N -1 3 269.344 3.227 20 0 CGADHM C[C@@H](CN(C)C(=O)/C=C/c1cncc([O-])c1)c1ccccc1 ZINC000492518243 243969069 /nfs/dbraw/zinc/96/90/69/243969069.db2.gz GKWIFYLVOIGQML-VFNNOXKTSA-N -1 3 296.370 3.063 20 0 CGADHM O=C(/C=C/c1ccc(F)c(Cl)c1)[N-]OC1CCC1 ZINC000492957309 244058845 /nfs/dbraw/zinc/05/88/45/244058845.db2.gz KSSDGVHEYNGEQF-FNORWQNLSA-N -1 3 269.703 3.093 20 0 CGADHM O=C(/C=C\c1ccc(C(F)(F)F)cc1)[N-]OC1CCC1 ZINC000493528381 244179869 /nfs/dbraw/zinc/17/98/69/244179869.db2.gz SLNCJBRMRAJVRS-TWGQIWQCSA-N -1 3 285.265 3.319 20 0 CGADHM CC(C)(C)CCO[N-]C(=O)/C=C/c1ccc(Cl)nc1 ZINC000493744332 244222665 /nfs/dbraw/zinc/22/26/65/244222665.db2.gz FZHILRYCUIHRKB-FNORWQNLSA-N -1 3 282.771 3.232 20 0 CGADHM Cc1ccc([C@H](C)NC(=O)c2cccc([O-])c2)cc1 ZINC000049560351 369408751 /nfs/dbraw/zinc/40/87/51/369408751.db2.gz BCWDDNVBJXVAQM-LBPRGKRZSA-N -1 3 255.317 3.192 20 0 CGADHM Cc1cccc(C(=O)N2CC[C@@H](c3ccccc3)C2)c1[O-] ZINC000050273056 369434673 /nfs/dbraw/zinc/43/46/73/369434673.db2.gz HJZNKAGSCPMGRU-OAHLLOKOSA-N -1 3 281.355 3.330 20 0 CGADHM O=C([O-])[C@@H](NCc1ccc(Cl)c(F)c1)c1ccccc1 ZINC000050510339 369440135 /nfs/dbraw/zinc/44/01/35/369440135.db2.gz AYTIKEXMBNAYIH-AWEZNQCLSA-N -1 3 293.725 3.395 20 0 CGADHM COc1cc(C(=O)N(C)[C@H]2CCC[C@H](C)C2)ccc1[O-] ZINC000276208339 193243735 /nfs/dbraw/zinc/24/37/35/193243735.db2.gz WCAMLUGQCOSXCV-AAEUAGOBSA-N -1 3 277.364 3.052 20 0 CGADHM CCc1ccc(C(=O)N(C)[C@@H](C)C2(C)CC2)c([O-])c1 ZINC000276584620 193389856 /nfs/dbraw/zinc/38/98/56/193389856.db2.gz VRKPMSMXZMUROF-NSHDSACASA-N -1 3 261.365 3.215 20 0 CGADHM O=C(c1ccc(Cl)cn1)N1CCCc2cccc([O-])c21 ZINC000079729908 369976559 /nfs/dbraw/zinc/97/65/59/369976559.db2.gz OQZCHJUHCAARNU-UHFFFAOYSA-N -1 3 288.734 3.034 20 0 CGADHM COc1ccc([O-])c(-c2nc(CCC(C)C)no2)c1 ZINC000111689257 370403949 /nfs/dbraw/zinc/40/39/49/370403949.db2.gz VTBMCVHQHJZMLU-UHFFFAOYSA-N -1 3 262.309 3.039 20 0 CGADHM C[C@@H](CC1CCCC1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000114259132 370495749 /nfs/dbraw/zinc/49/57/49/370495749.db2.gz JYIUREWORXBZGS-NSHDSACASA-N -1 3 299.378 3.022 20 0 CGADHM C[C@@H](CC1CCCC1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000114259132 370495753 /nfs/dbraw/zinc/49/57/53/370495753.db2.gz JYIUREWORXBZGS-NSHDSACASA-N -1 3 299.378 3.022 20 0 CGADHM CC(C)(C)[C@@H]1CCCN(C(=O)c2ccc(O)cc2[O-])CC1 ZINC000116090844 370547835 /nfs/dbraw/zinc/54/78/35/370547835.db2.gz GUMAQZKCLWRUFT-GFCCVEGCSA-N -1 3 291.391 3.386 20 0 CGADHM CS[C@H](C)C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000116978926 370576482 /nfs/dbraw/zinc/57/64/82/370576482.db2.gz LYYRFKZLEZTAGJ-SSDOTTSWSA-N -1 3 259.758 3.044 20 0 CGADHM Cc1ccc(-n2ccnc2)c(C(=O)Nc2ccccc2[O-])c1 ZINC000118761134 370625362 /nfs/dbraw/zinc/62/53/62/370625362.db2.gz HHOVXBXNENQOBX-UHFFFAOYSA-N -1 3 293.326 3.139 20 0 CGADHM COc1ccccc1C[C@@H](C)N(C)C(=O)c1cccc([O-])c1 ZINC000131953898 371142034 /nfs/dbraw/zinc/14/20/34/371142034.db2.gz FJQKYLHAUWVIOR-CYBMUJFWSA-N -1 3 299.370 3.104 20 0 CGADHM Cc1ccc(-c2nc([C@@H]3CCO[C@@H](C)C3)no2)c([O-])c1 ZINC000331631888 204029164 /nfs/dbraw/zinc/02/91/64/204029164.db2.gz IAYVGCKXXRKDLC-WDEREUQCSA-N -1 3 274.320 3.033 20 0 CGADHM CC(C)(CCNCc1c(F)cccc1F)CCC(=O)[O-] ZINC000133766886 371277194 /nfs/dbraw/zinc/27/71/94/371277194.db2.gz UYEDQVSXTMAMBE-UHFFFAOYSA-N -1 3 285.334 3.336 20 0 CGADHM COc1ccc([O-])c(C(=O)N2C[C@H](C)CCC[C@H]2C)c1 ZINC000134178426 371309072 /nfs/dbraw/zinc/30/90/72/371309072.db2.gz KAEVIUPECAJDCX-VXGBXAGGSA-N -1 3 277.364 3.052 20 0 CGADHM O=C(Nc1ccccc1[O-])c1ccc(F)c(Cl)c1 ZINC000134225534 371313058 /nfs/dbraw/zinc/31/30/58/371313058.db2.gz WDRMDIZHSRSCPI-UHFFFAOYSA-N -1 3 265.671 3.437 20 0 CGADHM C[C@H]1CCCC[C@H]1NC(=O)Cc1ccc([O-])cc1Cl ZINC000136061678 371458521 /nfs/dbraw/zinc/45/85/21/371458521.db2.gz ZBMFTVFTBCOZQG-IINYFYTJSA-N -1 3 281.783 3.283 20 0 CGADHM Cc1noc(C)c1[C@H](C)CC(=O)Nc1cc(F)ccc1[O-] ZINC000152113905 371675648 /nfs/dbraw/zinc/67/56/48/371675648.db2.gz XEESNPNALCFSRE-MRVPVSSYSA-N -1 3 292.310 3.268 20 0 CGADHM CC(=O)c1ccc(C(=O)N2CCCc3cccc([O-])c32)cc1 ZINC000155636333 371937032 /nfs/dbraw/zinc/93/70/32/371937032.db2.gz BWFWFSQSUCLVIZ-UHFFFAOYSA-N -1 3 295.338 3.188 20 0 CGADHM O=C(Cc1ccc([O-])cc1Cl)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000156917366 372000723 /nfs/dbraw/zinc/00/07/23/372000723.db2.gz FSBWFLWWRYBYCQ-BETUJISGSA-N -1 3 293.794 3.237 20 0 CGADHM CC(C)[C@@H](C(=O)Nc1cc(F)ccc1[O-])c1ccncc1 ZINC000344222745 217104417 /nfs/dbraw/zinc/10/44/17/217104417.db2.gz RYEICTOTAQHUPO-OAHLLOKOSA-N -1 3 288.322 3.305 20 0 CGADHM CCN(Cc1nc(=O)c2sccc2[n-]1)CC(C)(C)C ZINC000291126427 372122296 /nfs/dbraw/zinc/12/22/96/372122296.db2.gz BHDLWCSGDVDZMH-UHFFFAOYSA-N -1 3 279.409 3.265 20 0 CGADHM [O-]c1ccccc1-c1nc([C@@H]2CCCCS2)no1 ZINC000161651662 372343557 /nfs/dbraw/zinc/34/35/57/372343557.db2.gz IDYZLGQCSIDFFM-NSHDSACASA-N -1 3 262.334 3.400 20 0 CGADHM O=C([O-])[C@H](NCc1ccc(F)c(Cl)c1)c1ccccc1 ZINC000163798521 372493207 /nfs/dbraw/zinc/49/32/07/372493207.db2.gz LRIRFNLBGATLRX-CQSZACIVSA-N -1 3 293.725 3.395 20 0 CGADHM O=C(NOCC1CC1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000293868493 372506971 /nfs/dbraw/zinc/50/69/71/372506971.db2.gz WONOYHRQLMWMPO-UHFFFAOYSA-N -1 3 297.354 3.054 20 0 CGADHM CC[C@@H](C)N(C)C(=O)c1c[n-]c2c(C)cc(C)cc2c1=O ZINC000164596928 372523441 /nfs/dbraw/zinc/52/34/41/372523441.db2.gz GEROHULNNHVWEL-GFCCVEGCSA-N -1 3 286.375 3.428 20 0 CGADHM Cc1cccc2c(=O)c(C(=O)N3C[C@@H]4CCC[C@H]4C3)c[n-]c12 ZINC000164772908 372530944 /nfs/dbraw/zinc/53/09/44/372530944.db2.gz XORGAIKWPBPZBS-STQMWFEESA-N -1 3 296.370 3.121 20 0 CGADHM CC(C)ON=C([O-])Nc1cc(Cl)cc(Cl)c1 ZINC000294091371 372577935 /nfs/dbraw/zinc/57/79/35/372577935.db2.gz MBHVQBYGIPTKKV-UHFFFAOYSA-N -1 3 263.124 3.455 20 0 CGADHM CC(C)O[N-]C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000294091371 372577946 /nfs/dbraw/zinc/57/79/46/372577946.db2.gz MBHVQBYGIPTKKV-UHFFFAOYSA-N -1 3 263.124 3.455 20 0 CGADHM Cc1ccc(NC(=O)c2cc3sccc3[nH]2)c([O-])c1 ZINC000170237449 372636119 /nfs/dbraw/zinc/63/61/19/372636119.db2.gz QCBBHHIZFVBOPF-UHFFFAOYSA-N -1 3 272.329 3.496 20 0 CGADHM COC(=O)c1cnc(SC[C@@H]2CCCCC2(F)F)[n-]1 ZINC000295452727 372788580 /nfs/dbraw/zinc/78/85/80/372788580.db2.gz WOOABKLKNBMSRI-QMMMGPOBSA-N -1 3 290.335 3.114 20 0 CGADHM Cc1cc(C)c2[n-]cc(C(=O)N3C[C@@H](C)[C@@H]3C)c(=O)c2c1 ZINC000295583199 372836696 /nfs/dbraw/zinc/83/66/96/372836696.db2.gz LSNCBLOTIIWDIX-NEPJUHHUSA-N -1 3 284.359 3.038 20 0 CGADHM Cc1nc([N-]C(=O)c2cnc(-c3ccco3)s2)cs1 ZINC000344719976 217288678 /nfs/dbraw/zinc/28/86/78/217288678.db2.gz XVVITCNGYGCDOT-UHFFFAOYSA-N -1 3 291.357 3.420 20 0 CGADHM C[C@@H]1CCCN(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000344771914 217306257 /nfs/dbraw/zinc/30/62/57/217306257.db2.gz UZGOGJJZVYEPRX-GFCCVEGCSA-N -1 3 279.355 3.113 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-]CC[C@H](C)CC(C)(C)C)o1 ZINC000442763910 373074583 /nfs/dbraw/zinc/07/45/83/373074583.db2.gz HECGQWVOXDDNSH-NSHDSACASA-N -1 3 287.425 3.329 20 0 CGADHM COc1cc(C(=O)N(C)CCc2ccccc2C)ccc1[O-] ZINC000296291009 373081156 /nfs/dbraw/zinc/08/11/56/373081156.db2.gz ZIOANAOOSYTHEG-UHFFFAOYSA-N -1 3 299.370 3.024 20 0 CGADHM Cc1ncc(C(=O)[N-]c2cc(-c3ccccc3)on2)s1 ZINC000173067980 373087231 /nfs/dbraw/zinc/08/72/31/373087231.db2.gz GBTLJISQDWHPNG-UHFFFAOYSA-N -1 3 285.328 3.359 20 0 CGADHM CC(C)COc1cccc(NC([O-])=NOC(C)C)c1 ZINC000296335916 373094452 /nfs/dbraw/zinc/09/44/52/373094452.db2.gz MTQZIQVBDHCZFO-UHFFFAOYSA-N -1 3 266.341 3.183 20 0 CGADHM CC(C)COc1cccc(NC(=O)[N-]OC(C)C)c1 ZINC000296335916 373094466 /nfs/dbraw/zinc/09/44/66/373094466.db2.gz MTQZIQVBDHCZFO-UHFFFAOYSA-N -1 3 266.341 3.183 20 0 CGADHM COc1ccc2occ(C(=O)Nc3nc(C)ccc3[O-])c2c1 ZINC000442808335 373094952 /nfs/dbraw/zinc/09/49/52/373094952.db2.gz GWIODQVOBWUWSM-UHFFFAOYSA-N -1 3 298.298 3.103 20 0 CGADHM CC(C)(CNC(=O)c1c[n-]c2ccccc2c1=O)C1CCC1 ZINC000296364981 373104565 /nfs/dbraw/zinc/10/45/65/373104565.db2.gz GEQZSULLFGOVRV-UHFFFAOYSA-N -1 3 298.386 3.497 20 0 CGADHM Cc1ccc(NC([O-])=NOC(C)C)cc1Br ZINC000296497013 373155318 /nfs/dbraw/zinc/15/53/18/373155318.db2.gz XZEVKAWKKQYQBQ-UHFFFAOYSA-N -1 3 287.157 3.219 20 0 CGADHM Cc1ccc(NC(=O)[N-]OC(C)C)cc1Br ZINC000296497013 373155326 /nfs/dbraw/zinc/15/53/26/373155326.db2.gz XZEVKAWKKQYQBQ-UHFFFAOYSA-N -1 3 287.157 3.219 20 0 CGADHM CCN(C(=O)c1ccc([O-])c(OC)c1)[C@H]1CCCC[C@@H]1C ZINC000442967714 373135825 /nfs/dbraw/zinc/13/58/25/373135825.db2.gz PVLLJKVHLQWJST-JSGCOSHPSA-N -1 3 291.391 3.442 20 0 CGADHM Cc1csc(CCC(=O)Nc2cc(Cl)ccc2[O-])n1 ZINC000444339158 373183994 /nfs/dbraw/zinc/18/39/94/373183994.db2.gz RNMSUYDFDJDGNL-UHFFFAOYSA-N -1 3 296.779 3.382 20 0 CGADHM CC(C)CC[C@@H](C)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000299442521 373544490 /nfs/dbraw/zinc/54/44/90/373544490.db2.gz LLWJRNPNEKBYBN-GFCCVEGCSA-N -1 3 286.375 3.495 20 0 CGADHM C[C@@H]1CCC[C@@H](C(=O)Nc2cc(F)ccc2[O-])C1 ZINC000178326321 373766542 /nfs/dbraw/zinc/76/65/42/373766542.db2.gz DZHNDUIEGNJECI-NXEZZACHSA-N -1 3 251.301 3.296 20 0 CGADHM Cc1ccc([O-])c(CN2Cc3ccccc3C[C@@H]2C)n1 ZINC000353668281 220239517 /nfs/dbraw/zinc/23/95/17/220239517.db2.gz XSNAARMLFMKTED-ZDUSSCGKSA-N -1 3 268.360 3.042 20 0 CGADHM CCC[C@H]1CCC[C@H]1C(=O)N=c1cc(-c2ccncc2)[n-][nH]1 ZINC000449836116 373940096 /nfs/dbraw/zinc/94/00/96/373940096.db2.gz RSLCJOJFYNPIPB-GXTWGEPZSA-N -1 3 298.390 3.049 20 0 CGADHM COc1cc(C)ccc1CN=c1[n-]c(C(C)=O)c(C)s1 ZINC000450378821 374090255 /nfs/dbraw/zinc/09/02/55/374090255.db2.gz MDGNKYITTXOHQB-UHFFFAOYSA-N -1 3 290.388 3.005 20 0 CGADHM [O-]c1cc(F)cc(CN2CCC(C(F)F)CC2)c1 ZINC000307879902 374154642 /nfs/dbraw/zinc/15/46/42/374154642.db2.gz NLOZVDAPICAUQE-UHFFFAOYSA-N -1 3 259.271 3.008 20 0 CGADHM O=C(N[C@@H](c1ccccc1)[C@@H]1CCCO1)c1cccc([O-])c1 ZINC000182293775 374253096 /nfs/dbraw/zinc/25/30/96/374253096.db2.gz LCLPVIDCKSLDOR-IRXDYDNUSA-N -1 3 297.354 3.042 20 0 CGADHM C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cccc([O-])c1 ZINC000182460726 374277158 /nfs/dbraw/zinc/27/71/58/374277158.db2.gz XMAXWOCZIQSHKE-JMSVASOKSA-N -1 3 259.349 3.185 20 0 CGADHM Cc1ccc([C@H](C)CNC(=O)c2cccc([O-])c2)cc1 ZINC000182482919 374278930 /nfs/dbraw/zinc/27/89/30/374278930.db2.gz OLDJRKKCJVBGOX-CYBMUJFWSA-N -1 3 269.344 3.234 20 0 CGADHM C[C@@]1(CNC(=O)c2c([O-])cccc2O)C[C@H]1c1ccccc1 ZINC000452141965 374249228 /nfs/dbraw/zinc/24/92/28/374249228.db2.gz VBHIOLFBWJLHNB-UGSOOPFHSA-N -1 3 297.354 3.021 20 0 CGADHM O=C(Nc1c(F)cccc1NC1CC1)c1cccc([O-])c1 ZINC000182541563 374287727 /nfs/dbraw/zinc/28/77/27/374287727.db2.gz LKKCVGAJCYJYIF-UHFFFAOYSA-N -1 3 286.306 3.358 20 0 CGADHM C[C@@H]1CN(C(=O)c2cccc([O-])c2)[C@@H]1c1ccccc1 ZINC000182527032 374285130 /nfs/dbraw/zinc/28/51/30/374285130.db2.gz LJNCSPMNHBOWQQ-WBMJQRKESA-N -1 3 267.328 3.225 20 0 CGADHM COc1ccccc1CN(C)CCc1ccccc1C(=O)[O-] ZINC000317497583 374340377 /nfs/dbraw/zinc/34/03/77/374340377.db2.gz NRZZWUSFSMTHKE-UHFFFAOYSA-N -1 3 299.370 3.068 20 0 CGADHM Cc1cccc([O-])c1NC(=O)CCc1nc2ccccc2[nH]1 ZINC000183060111 374366015 /nfs/dbraw/zinc/36/60/15/374366015.db2.gz BJVKAYVBTRDWIT-UHFFFAOYSA-N -1 3 295.342 3.148 20 0 CGADHM O=C(Nc1ccc([O-])cc1F)c1cc2c(cccc2F)[nH]1 ZINC000183271902 374395475 /nfs/dbraw/zinc/39/54/75/374395475.db2.gz UUHUZYSIQNPWEZ-UHFFFAOYSA-N -1 3 288.253 3.404 20 0 CGADHM CC(C)c1ncc(C(=O)Nc2ccc([O-])cc2F)s1 ZINC000183278760 374395991 /nfs/dbraw/zinc/39/59/91/374395991.db2.gz PYEPNEZMTSEVFJ-UHFFFAOYSA-N -1 3 280.324 3.364 20 0 CGADHM CC[C@H](C(=O)[O-])N(C)Cc1cc(Cl)ccc1Cl ZINC000087761533 541944444 /nfs/dbraw/zinc/94/44/44/541944444.db2.gz RCHYTIWWRVGKNO-LLVKDONJSA-N -1 3 276.163 3.288 20 0 CGADHM Cc1ccc(CN2CCC[C@H](CCC(=O)[O-])C2)cc1F ZINC000086809711 541940117 /nfs/dbraw/zinc/94/01/17/541940117.db2.gz GDEUMWFHNIDRCM-CYBMUJFWSA-N -1 3 279.355 3.211 20 0 CGADHM CC[C@@H](c1ccccc1)S(=O)(=O)c1cccc([O-])c1 ZINC000183984037 374480456 /nfs/dbraw/zinc/48/04/56/374480456.db2.gz SCFPCPSCDLHTAZ-HNNXBMFYSA-N -1 3 276.357 3.317 20 0 CGADHM COc1ccc(Cl)cc1C[S@](=O)c1cccc([O-])c1 ZINC000184034752 374483974 /nfs/dbraw/zinc/48/39/74/374483974.db2.gz HGLZZNPASOBDBR-IBGZPJMESA-N -1 3 296.775 3.362 20 0 CGADHM CCN(Cc1cc([O-])ccc1Br)CC(F)F ZINC000184090331 374491206 /nfs/dbraw/zinc/49/12/06/374491206.db2.gz FRZDXFUKHYZCBH-UHFFFAOYSA-N -1 3 294.139 3.242 20 0 CGADHM COc1cc(C(=O)N2C[C@@H](C(C)C)[C@@H]2C(C)C)ccc1[O-] ZINC000456356836 374524730 /nfs/dbraw/zinc/52/47/30/374524730.db2.gz XRIDRRDKPOXGLK-BBRMVZONSA-N -1 3 291.391 3.153 20 0 CGADHM C[C@H](NCc1cc([O-])cc(F)c1)c1ccc2c(c1)OCO2 ZINC000184137136 374497110 /nfs/dbraw/zinc/49/71/10/374497110.db2.gz AOGPUGRFBBTFAB-JTQLQIEISA-N -1 3 289.306 3.111 20 0 CGADHM C[C@@H](NCc1cc([O-])cc(F)c1)c1cccs1 ZINC000184134821 374497426 /nfs/dbraw/zinc/49/74/26/374497426.db2.gz FDGSFZJDMRIDKP-SECBINFHSA-N -1 3 251.326 3.444 20 0 CGADHM CCO[C@H]1C[C@H]1C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000332027306 374550341 /nfs/dbraw/zinc/55/03/41/374550341.db2.gz WRMCQEQYZHJWHB-RISCZKNCSA-N -1 3 277.364 3.053 20 0 CGADHM CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1NC(=O)c1csc(=O)[n-]1 ZINC000332931310 374597370 /nfs/dbraw/zinc/59/73/70/374597370.db2.gz FVQFLLIUHXOPNA-VWYCJHECSA-N -1 3 282.409 3.039 20 0 CGADHM [O-]c1cc(F)cc(CNC2(c3cccc(F)c3)CC2)c1 ZINC000185548956 374686753 /nfs/dbraw/zinc/68/67/53/374686753.db2.gz FATGFTAJEGBEIO-UHFFFAOYSA-N -1 3 275.298 3.449 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CCC(C(F)F)CC2)c1 ZINC000334400145 374717042 /nfs/dbraw/zinc/71/70/42/374717042.db2.gz FNQRXRAXVUKAMH-UHFFFAOYSA-N -1 3 283.318 3.072 20 0 CGADHM C[C@H]1CCCN(Cc2cc3ccccc3o2)[C@@H]1C(=O)[O-] ZINC000334648123 374940515 /nfs/dbraw/zinc/94/05/15/374940515.db2.gz QJGCAGWBYNDPBG-NHYWBVRUSA-N -1 3 273.332 3.118 20 0 CGADHM COc1ccc([O-])c(C(=O)N(C)c2ccc3cc[nH]c3c2)c1 ZINC000473522423 375051312 /nfs/dbraw/zinc/05/13/12/375051312.db2.gz HNLRUZRUTWTJDJ-UHFFFAOYSA-N -1 3 296.326 3.159 20 0 CGADHM CC(C)[C@@H](CC1CCCC1)C(=O)NCc1ncccc1[O-] ZINC000473630812 375055942 /nfs/dbraw/zinc/05/59/42/375055942.db2.gz UCVJVHAQIZCXQQ-CQSZACIVSA-N -1 3 290.407 3.256 20 0 CGADHM Cc1cccc2c1OCC[C@H]2NCc1cc([O-])cc(F)c1 ZINC000335000366 375062645 /nfs/dbraw/zinc/06/26/45/375062645.db2.gz BKHSCLOLVJHIHT-MRXNPFEDSA-N -1 3 287.334 3.453 20 0 CGADHM CCc1ccc(C(=O)N2C[C@@H](C)CC[C@H]2C)c([O-])c1 ZINC000188127331 375163687 /nfs/dbraw/zinc/16/36/87/375163687.db2.gz IKGMMOUFRYWSAI-NWDGAFQWSA-N -1 3 261.365 3.215 20 0 CGADHM Cc1coc2ccc(NC([O-])=NO[C@H]3CCCCO3)cc12 ZINC000187946724 375123575 /nfs/dbraw/zinc/12/35/75/375123575.db2.gz ZUSIRZHUSFWTFO-AWEZNQCLSA-N -1 3 290.319 3.321 20 0 CGADHM Cc1coc2ccc(NC(=O)[N-]O[C@H]3CCCCO3)cc12 ZINC000187946724 375123583 /nfs/dbraw/zinc/12/35/83/375123583.db2.gz ZUSIRZHUSFWTFO-AWEZNQCLSA-N -1 3 290.319 3.321 20 0 CGADHM O=C([N-]c1cc(F)cc(F)c1F)c1ncoc1C1CC1 ZINC000334258938 206269864 /nfs/dbraw/zinc/26/98/64/206269864.db2.gz POCLWUIEYYXYRQ-UHFFFAOYSA-N -1 3 282.221 3.222 20 0 CGADHM [O-]c1cccc(CN2CCC[C@H]2[C@@H]2CCCOC2)c1Cl ZINC000335425281 375284343 /nfs/dbraw/zinc/28/43/43/375284343.db2.gz QZYYAWQDRCTPME-KGLIPLIRSA-N -1 3 295.810 3.437 20 0 CGADHM Cc1ccc(CN2CC[C@H](C)[C@@H](C(=O)[O-])C2)cc1Cl ZINC000335439785 375293526 /nfs/dbraw/zinc/29/35/26/375293526.db2.gz AMQOUSVUMRVZPJ-GWCFXTLKSA-N -1 3 281.783 3.191 20 0 CGADHM Cc1ccc(CN2CC[C@H](C)[C@H](C(=O)[O-])C2)cc1Cl ZINC000335439786 375294211 /nfs/dbraw/zinc/29/42/11/375294211.db2.gz AMQOUSVUMRVZPJ-GXFFZTMASA-N -1 3 281.783 3.191 20 0 CGADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2cc(F)cc(F)c2)C1 ZINC000097904192 541994714 /nfs/dbraw/zinc/99/47/14/541994714.db2.gz FPQRCRUGXHAOFE-GFCCVEGCSA-N -1 3 297.345 3.288 20 0 CGADHM CCc1cc(C(=O)N[C@@H]2CC23CCCC3)ccc1[O-] ZINC000487601980 375261526 /nfs/dbraw/zinc/26/15/26/375261526.db2.gz CRROFKSHTRNQAJ-CQSZACIVSA-N -1 3 259.349 3.017 20 0 CGADHM Cc1noc(C)c1[N-]C(=O)c1sc(C(C)C)nc1C ZINC000334260770 206273229 /nfs/dbraw/zinc/27/32/29/206273229.db2.gz WUBSSVCQNMOFEC-UHFFFAOYSA-N -1 3 279.365 3.432 20 0 CGADHM O=C(c1cc([O-])ccc1C(F)(F)F)N1CCC12CCC2 ZINC000335775278 375420046 /nfs/dbraw/zinc/42/00/46/375420046.db2.gz FXKWPQBXUPQGCI-UHFFFAOYSA-N -1 3 285.265 3.180 20 0 CGADHM O=C([N-]c1cc(F)c(F)cc1F)c1ocnc1C1CC1 ZINC000335984622 375592307 /nfs/dbraw/zinc/59/23/07/375592307.db2.gz HBDNENVOTQLUQX-UHFFFAOYSA-N -1 3 282.221 3.222 20 0 CGADHM Cc1cccc([N-]S(=O)(=O)c2ccoc2)c1Cl ZINC000335941870 375556158 /nfs/dbraw/zinc/55/61/58/375556158.db2.gz QSTCRWBJIZPVLH-UHFFFAOYSA-N -1 3 271.725 3.042 20 0 CGADHM O=C(Nc1nnc(-c2ccco2)[n-]1)c1csc(Cl)c1 ZINC000191016737 375563842 /nfs/dbraw/zinc/56/38/42/375563842.db2.gz DFDZKEVBCYWMNY-UHFFFAOYSA-N -1 3 294.723 3.032 20 0 CGADHM O=C(Nc1nc(-c2ccco2)n[n-]1)c1csc(Cl)c1 ZINC000191016737 375563847 /nfs/dbraw/zinc/56/38/47/375563847.db2.gz DFDZKEVBCYWMNY-UHFFFAOYSA-N -1 3 294.723 3.032 20 0 CGADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1csc(Cl)c1 ZINC000191016737 375563853 /nfs/dbraw/zinc/56/38/53/375563853.db2.gz DFDZKEVBCYWMNY-UHFFFAOYSA-N -1 3 294.723 3.032 20 0 CGADHM O=C([N-]c1cccc2oc(C(F)(F)F)nc21)c1cocn1 ZINC000123742923 542028747 /nfs/dbraw/zinc/02/87/47/542028747.db2.gz UGKCSRNSIVEORW-UHFFFAOYSA-N -1 3 297.192 3.087 20 0 CGADHM Cc1cc(C(=O)Nc2cccc([O-])c2F)c(C)s1 ZINC000128295365 542052331 /nfs/dbraw/zinc/05/23/31/542052331.db2.gz OYJUTEYRZGSZDK-UHFFFAOYSA-N -1 3 265.309 3.462 20 0 CGADHM O=C(N[C@H]1CCC[C@H]1c1ccccc1)c1cccc([O-])c1 ZINC000509140996 375772337 /nfs/dbraw/zinc/77/23/37/375772337.db2.gz HBJVADTVENJBSD-IRXDYDNUSA-N -1 3 281.355 3.458 20 0 CGADHM O=C(Nc1cccc([O-])c1F)c1cccnc1C1CC1 ZINC000336571405 375840416 /nfs/dbraw/zinc/84/04/16/375840416.db2.gz DHTUUXISMXEQCW-UHFFFAOYSA-N -1 3 272.279 3.056 20 0 CGADHM CCCc1cc(=O)[n-]c(C(=Cc2cccnc2C)CC)n1 ZINC000193617372 375898906 /nfs/dbraw/zinc/89/89/06/375898906.db2.gz JHYVUPBAJOKXNE-JLHYYAGUSA-N -1 3 283.375 3.376 20 0 CGADHM C[C@H](c1nc2ccccc2s1)N(C)CC1(C(=O)[O-])CC1 ZINC000520594011 375865733 /nfs/dbraw/zinc/86/57/33/375865733.db2.gz BZNXGAIITVWCTL-SNVBAGLBSA-N -1 3 290.388 3.154 20 0 CGADHM CC[C@H](NC(=O)c1ccc(O)cc1[O-])c1cccs1 ZINC000193731342 375915229 /nfs/dbraw/zinc/91/52/29/375915229.db2.gz QGNXPAJQTFIKKU-NSHDSACASA-N -1 3 277.345 3.040 20 0 CGADHM O=C([O-])[C@@H]1C=C[C@H](NCc2ccc(Cl)c(Cl)c2)C1 ZINC000336790532 375940074 /nfs/dbraw/zinc/94/00/74/375940074.db2.gz LNZQPGOBUPRIFD-ZJUUUORDSA-N -1 3 286.158 3.112 20 0 CGADHM [O-]c1cccc(CNC[C@@H]2CCCCS2)c1Cl ZINC000336890950 376021600 /nfs/dbraw/zinc/02/16/00/376021600.db2.gz IAFZLJHGQOXXKQ-NSHDSACASA-N -1 3 271.813 3.421 20 0 CGADHM C[C@@H]1CCN(C(=O)c2ccc3n[n-]nc3c2)c2ccccc21 ZINC000194602709 376024524 /nfs/dbraw/zinc/02/45/24/376024524.db2.gz PXJXIUFANDGWHF-LLVKDONJSA-N -1 3 292.342 3.112 20 0 CGADHM Cc1ccc(NC(=O)[C@H]2CCCc3cccnc32)c([O-])c1 ZINC000195315347 376096180 /nfs/dbraw/zinc/09/61/80/376096180.db2.gz HOYDWIJZORVTEZ-ZDUSSCGKSA-N -1 3 282.343 3.154 20 0 CGADHM CC1(C)CC[C@H](C(=O)Nc2ccc([O-])cc2F)C1 ZINC000334275131 206293239 /nfs/dbraw/zinc/29/32/39/206293239.db2.gz BPRNDQAOHBJVDJ-VIFPVBQESA-N -1 3 251.301 3.296 20 0 CGADHM COc1cccc([C@H](C)NCc2cc([O-])cc(F)c2)c1 ZINC000223113610 376246432 /nfs/dbraw/zinc/24/64/32/376246432.db2.gz WPVWMSRQDCCBOL-NSHDSACASA-N -1 3 275.323 3.391 20 0 CGADHM CCS[C@H]1CCC[C@@H]1NC(=O)c1ccc(C)cc1[O-] ZINC000225705712 376321529 /nfs/dbraw/zinc/32/15/29/376321529.db2.gz KDAMXBWIKFBHOO-JSGCOSHPSA-N -1 3 279.405 3.105 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CC[C@@H]2Cc2ccccc2)c1 ZINC000539876999 376343447 /nfs/dbraw/zinc/34/34/47/376343447.db2.gz WBWVGRPVLGUQIB-MRXNPFEDSA-N -1 3 295.382 3.412 20 0 CGADHM CS[C@H]1CCC[C@H](NC(=O)c2ccc([O-])c(C)c2)C1 ZINC000226717845 376370052 /nfs/dbraw/zinc/37/00/52/376370052.db2.gz ZTINLEDSNAJDOP-STQMWFEESA-N -1 3 279.405 3.105 20 0 CGADHM Cc1cc(C(=O)N(C)Cc2ccccc2C)ccc1[O-] ZINC000227012727 376376721 /nfs/dbraw/zinc/37/67/21/376376721.db2.gz JVCIFDLPYMHRRE-UHFFFAOYSA-N -1 3 269.344 3.281 20 0 CGADHM [O-]c1ccc(Sc2nc(C(F)(F)F)ns2)cc1 ZINC000228796587 376448632 /nfs/dbraw/zinc/44/86/32/376448632.db2.gz IOMCVUVUOLTZSZ-UHFFFAOYSA-N -1 3 278.280 3.414 20 0 CGADHM Cc1ccc2[nH]c(C(=O)Nc3nc(C)ccc3[O-])cc2c1 ZINC000542444858 376542332 /nfs/dbraw/zinc/54/23/32/376542332.db2.gz XAPPEGVADHXKDM-UHFFFAOYSA-N -1 3 281.315 3.138 20 0 CGADHM Cc1cc(C(=O)N[C@@H]2CCCC(F)(F)C2)ccc1[O-] ZINC000334328228 206376615 /nfs/dbraw/zinc/37/66/15/206376615.db2.gz MOSGZGXLQXPBLQ-LLVKDONJSA-N -1 3 269.291 3.008 20 0 CGADHM CC(=O)c1ccc(C(=O)Nc2cc(Cl)cc(C)c2[O-])[nH]1 ZINC000334322544 206367011 /nfs/dbraw/zinc/36/70/11/206367011.db2.gz YEDQZIVTWOGFMY-UHFFFAOYSA-N -1 3 292.722 3.137 20 0 CGADHM O=C(Nc1ccc(Cl)cc1[O-])c1ccc2c(c1)COC2 ZINC000334342156 206397469 /nfs/dbraw/zinc/39/74/69/206397469.db2.gz PLDITLVWCOORFQ-UHFFFAOYSA-N -1 3 289.718 3.328 20 0 CGADHM C[C@@H](NCCC(=O)[O-])c1cccc(Cl)c1Cl ZINC000235181547 376634973 /nfs/dbraw/zinc/63/49/73/376634973.db2.gz QGHKKNJVXSXJIV-SSDOTTSWSA-N -1 3 262.136 3.119 20 0 CGADHM C[C@H](Cc1cccs1)NC(=O)c1cc([O-])ccc1Cl ZINC000235458829 376641102 /nfs/dbraw/zinc/64/11/02/376641102.db2.gz RMHIFVNIKQTJPM-SECBINFHSA-N -1 3 295.791 3.468 20 0 CGADHM Cc1ccc(NC(=O)c2cc([O-])ccc2Cl)c(C)n1 ZINC000235894118 376653047 /nfs/dbraw/zinc/65/30/47/376653047.db2.gz JMYLANMRJUYSBD-UHFFFAOYSA-N -1 3 276.723 3.310 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)c2ccccc2Cl)o1 ZINC000339084464 376670246 /nfs/dbraw/zinc/67/02/46/376670246.db2.gz JOPSSLPUZWHCJU-JTQLQIEISA-N -1 3 299.779 3.281 20 0 CGADHM Cc1ccc(NC(=O)[C@@H](C)Oc2ccccc2F)c([O-])c1 ZINC000340033783 376896864 /nfs/dbraw/zinc/89/68/64/376896864.db2.gz PHVCVZTUQJAEKG-LLVKDONJSA-N -1 3 289.306 3.246 20 0 CGADHM O=C(Nc1c([O-])cccc1Cl)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000557181274 376924504 /nfs/dbraw/zinc/92/45/04/376924504.db2.gz OQUYCSMHUASCOE-VROVMSAKSA-N -1 3 251.713 3.030 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])[C@@H]1Cc2ccccc2S1 ZINC000340315510 376998046 /nfs/dbraw/zinc/99/80/46/376998046.db2.gz FJFHTXQSHIWSHG-AWEZNQCLSA-N -1 3 289.331 3.187 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])c1cc(=O)[nH]c2ccccc21 ZINC000340331212 377007979 /nfs/dbraw/zinc/00/79/79/377007979.db2.gz PXJAERVOUSDLET-UHFFFAOYSA-N -1 3 298.273 3.037 20 0 CGADHM O=C(c1cccc([O-])c1)N1CCC[C@H]1c1ccccc1 ZINC000193051902 296253346 /nfs/dbraw/zinc/25/33/46/296253346.db2.gz WQIBJTKIAPGTDR-INIZCTEOSA-N -1 3 267.328 3.370 20 0 CGADHM CC(=O)c1cccc(NC(=O)Cc2cccc(C)c2)c1[O-] ZINC000560552141 377170816 /nfs/dbraw/zinc/17/08/16/377170816.db2.gz ITOHZPBQINRCCF-UHFFFAOYSA-N -1 3 283.327 3.084 20 0 CGADHM [O-]c1cccnc1CN(CCc1ccc(F)cc1)C1CC1 ZINC000561948572 377255051 /nfs/dbraw/zinc/25/50/51/377255051.db2.gz SIAZTMROHUUHAX-UHFFFAOYSA-N -1 3 286.350 3.133 20 0 CGADHM O=C([O-])C[C@H]1CCCN(C/C=C/c2ccc(F)cc2F)C1 ZINC000560927631 377200003 /nfs/dbraw/zinc/20/00/03/377200003.db2.gz NUYOIGXEFUUOPM-FXMSTWTQSA-N -1 3 295.329 3.165 20 0 CGADHM C[C@@H](c1nc(-c2ccc3n[n-]nc3c2)no1)C(C)(C)C ZINC000562322062 377295153 /nfs/dbraw/zinc/29/51/53/377295153.db2.gz UTFCJMKSNMDRHT-QMMMGPOBSA-N -1 3 271.324 3.158 20 0 CGADHM CN(Cc1cc(C(=O)[O-])co1)[C@H]1CCc2ccccc21 ZINC000563277790 377431808 /nfs/dbraw/zinc/43/18/08/377431808.db2.gz CFJGMYGBIAGDGJ-HNNXBMFYSA-N -1 3 271.316 3.097 20 0 CGADHM O=c1cc(CSc2nc3ccccc3[nH]2)nc(C2CC2)[n-]1 ZINC000563288448 377437021 /nfs/dbraw/zinc/43/70/21/377437021.db2.gz XOLXKLSIRSZFDQ-UHFFFAOYSA-N -1 3 298.371 3.228 20 0 CGADHM CCOc1cc(CNCc2cc(C)on2)cc(Cl)c1[O-] ZINC000563094166 377400172 /nfs/dbraw/zinc/40/01/72/377400172.db2.gz CHPLXTBTQAGYQH-UHFFFAOYSA-N -1 3 296.754 3.031 20 0 CGADHM Cc1ccc(C(=O)N2CC[C@H](c3ccncc3)C2)c([O-])c1C ZINC000563394116 377454682 /nfs/dbraw/zinc/45/46/82/377454682.db2.gz CDZMENBQVZGCGN-HNNXBMFYSA-N -1 3 296.370 3.034 20 0 CGADHM CC(C)OCCCN(C)Cc1c(Cl)cccc1C(=O)[O-] ZINC000563455833 377470693 /nfs/dbraw/zinc/47/06/93/377470693.db2.gz QOZFKAODZONRKS-UHFFFAOYSA-N -1 3 299.798 3.285 20 0 CGADHM CC(=O)c1csc([N-]c2ncnc3sccc32)n1 ZINC000163079601 542166124 /nfs/dbraw/zinc/16/61/24/542166124.db2.gz AUNSPDLLOBWZDM-UHFFFAOYSA-N -1 3 276.346 3.094 20 0 CGADHM Cc1ccc([O-])c(-c2nc(CCC(F)(F)F)no2)c1 ZINC000094494280 249041155 /nfs/dbraw/zinc/04/11/55/249041155.db2.gz ORBGKSWASDVMMQ-UHFFFAOYSA-N -1 3 272.226 3.246 20 0 CGADHM Cc1cccc(C(=O)NCC(C)(C)c2cccs2)c1[O-] ZINC000083599880 249007038 /nfs/dbraw/zinc/00/70/38/249007038.db2.gz AFCDQIOITSFSET-UHFFFAOYSA-N -1 3 289.400 3.470 20 0 CGADHM CCCCNCc1cccc([O-])c1Br ZINC000315477523 249098914 /nfs/dbraw/zinc/09/89/14/249098914.db2.gz ZHPUXFWRPADXHX-UHFFFAOYSA-N -1 3 258.159 3.044 20 0 CGADHM CC(C)(CC(=O)[O-])NCc1cc(Cl)ccc1Cl ZINC000563355927 321992292 /nfs/dbraw/zinc/99/22/92/321992292.db2.gz OIQMBYJITUDNGP-UHFFFAOYSA-N -1 3 276.163 3.336 20 0 CGADHM Cc1ccccc1-c1cc(=NC(=O)C2CC(C)(C)C2)[nH][n-]1 ZINC000516590289 249238495 /nfs/dbraw/zinc/23/84/95/249238495.db2.gz FMVVHYATRQZOGI-UHFFFAOYSA-N -1 3 283.375 3.182 20 0 CGADHM CCCCCOCC(=O)Nc1c([O-])cccc1Cl ZINC000517584107 249267859 /nfs/dbraw/zinc/26/78/59/249267859.db2.gz IXLLHXRSYFWBRL-UHFFFAOYSA-N -1 3 271.744 3.191 20 0 CGADHM C[C@@H]([C@H](C)NC(=O)Cc1cncc([O-])c1)C1CCCCC1 ZINC000574219822 377636997 /nfs/dbraw/zinc/63/69/97/377636997.db2.gz UGZJJYFMFXDDRE-STQMWFEESA-N -1 3 290.407 3.051 20 0 CGADHM CCc1cc(=O)[n-]c(CN2Cc3ccccc3C[C@@H]2CC)n1 ZINC000342380503 377645276 /nfs/dbraw/zinc/64/52/76/377645276.db2.gz STIIKSMYYYDRMP-INIZCTEOSA-N -1 3 297.402 3.082 20 0 CGADHM Cc1cncc(/C=C\C(=O)Nc2cc(Cl)ccc2[O-])c1 ZINC000255020756 377724741 /nfs/dbraw/zinc/72/47/41/377724741.db2.gz IAQPNPZPQNHIPO-DJWKRKHSSA-N -1 3 288.734 3.401 20 0 CGADHM CC(=O)c1cccc(NC(=O)[C@H]2CCCC[C@@H]2C)c1[O-] ZINC000575048536 377743166 /nfs/dbraw/zinc/74/31/66/377743166.db2.gz XPYPLIKXJQXOEL-JQWIXIFHSA-N -1 3 275.348 3.360 20 0 CGADHM CC(C)Oc1ccc(NC(=O)/C=C\c2cncc([O-])c2)cc1 ZINC000255330982 377751190 /nfs/dbraw/zinc/75/11/90/377751190.db2.gz VIQNSPWGKDWIPR-BAQGIRSFSA-N -1 3 298.342 3.226 20 0 CGADHM Cc1cccc(C(=O)N[C@H]2CCc3ccc(F)cc32)c1[O-] ZINC000261423309 377811605 /nfs/dbraw/zinc/81/16/05/377811605.db2.gz BUMDLOKGDVHLBA-HNNXBMFYSA-N -1 3 285.318 3.257 20 0 CGADHM COc1ccc(CN2CCC[C@H](C(=O)[O-])[C@@H]2C)cc1Cl ZINC000263054524 377916350 /nfs/dbraw/zinc/91/63/50/377916350.db2.gz LNVPABPBCYEDDV-JQWIXIFHSA-N -1 3 297.782 3.034 20 0 CGADHM C[C@@H]1[C@H](C(=O)[O-])CCCN1C/C=C/c1ccc(F)c(F)c1 ZINC000263059822 377916479 /nfs/dbraw/zinc/91/64/79/377916479.db2.gz MLKDACLWIACKME-HEAXGLFYSA-N -1 3 295.329 3.163 20 0 CGADHM C[C@H](CN1C[C@@H](C(=O)[O-])CC[C@@H]1C)c1cc(F)cc(F)c1 ZINC000263116369 377919500 /nfs/dbraw/zinc/91/95/00/377919500.db2.gz ZVRZWMSGBQLRFN-WOPDTQHZSA-N -1 3 297.345 3.253 20 0 CGADHM Cc1n[nH]c(C)c1[C@@H]1CCCN1Cc1cccc(C(=O)[O-])c1 ZINC000263405039 377932025 /nfs/dbraw/zinc/93/20/25/377932025.db2.gz JKEHNNLZHDLRLF-HNNXBMFYSA-N -1 3 299.374 3.062 20 0 CGADHM CCC[C@@H](NCc1ccc(F)c(Cl)c1Cl)C(=O)[O-] ZINC000263398269 377932474 /nfs/dbraw/zinc/93/24/74/377932474.db2.gz HILSTGLOBKCCLU-SECBINFHSA-N -1 3 294.153 3.475 20 0 CGADHM CCc1cccc(Cl)c1CN1CCC[C@H](C(=O)[O-])C1 ZINC000263437145 377936723 /nfs/dbraw/zinc/93/67/23/377936723.db2.gz VACVDPRAYWXVJA-LBPRGKRZSA-N -1 3 281.783 3.199 20 0 CGADHM CCN(C(=O)c1c[n-]c2ccc(C)cc2c1=O)C1CCCC1 ZINC000343281094 377946727 /nfs/dbraw/zinc/94/67/27/377946727.db2.gz YTWXUPDRJMSZAY-UHFFFAOYSA-N -1 3 298.386 3.241 20 0 CGADHM CN(CCCCC(=O)[O-])Cc1cc(Cl)ccc1F ZINC000263582024 377948265 /nfs/dbraw/zinc/94/82/65/377948265.db2.gz XZYSUBUOEIHNOF-UHFFFAOYSA-N -1 3 273.735 3.166 20 0 CGADHM CC[C@H](NCc1ncccc1[O-])c1cc(F)ccc1F ZINC000577782786 378011960 /nfs/dbraw/zinc/01/19/60/378011960.db2.gz MZDIZMMKWJTTHT-ZDUSSCGKSA-N -1 3 278.302 3.306 20 0 CGADHM CN(CCOc1ccc(C(=O)[O-])cc1Cl)[C@H]1CC1(C)C ZINC000578199856 378045298 /nfs/dbraw/zinc/04/52/98/378045298.db2.gz YTQUVMQSGRNKTN-ZDUSSCGKSA-N -1 3 297.782 3.147 20 0 CGADHM CO[C@H]1CCC[C@@H](C(=O)Nc2ccc(Cl)cc2[O-])C1 ZINC000343888061 378125109 /nfs/dbraw/zinc/12/51/09/378125109.db2.gz NVHBHMATUZBKBE-KOLCDFICSA-N -1 3 283.755 3.189 20 0 CGADHM C[C@@H]1C[C@H](C)CN1Cc1c(Cl)cccc1C(=O)[O-] ZINC000579120116 378131847 /nfs/dbraw/zinc/13/18/47/378131847.db2.gz ZKMDAZGJBWWROU-VHSXEESVSA-N -1 3 267.756 3.269 20 0 CGADHM Cc1noc([N-]C(=O)[C@H](C)OC2CCCCCC2)c1C ZINC000268700783 378092426 /nfs/dbraw/zinc/09/24/26/378092426.db2.gz UYPCOOALQQCTDL-LBPRGKRZSA-N -1 3 280.368 3.358 20 0 CGADHM Cc1ccc(C(=O)Nc2cnc(C)nc2C2CC2)c([O-])c1C ZINC000579976597 378214486 /nfs/dbraw/zinc/21/44/86/378214486.db2.gz MSRTVHPWZDWCTF-UHFFFAOYSA-N -1 3 297.358 3.237 20 0 CGADHM CCc1cc(=O)[n-]c(CN2CCC(C(C)(C)C)CC2)n1 ZINC000344419282 378170114 /nfs/dbraw/zinc/17/01/14/378170114.db2.gz XSLWFEBMKDCNGK-UHFFFAOYSA-N -1 3 277.412 3.003 20 0 CGADHM C[C@@H](CN(Cc1ccc(F)cc1Cl)C1CC1)C(=O)[O-] ZINC000579603004 378175030 /nfs/dbraw/zinc/17/50/30/378175030.db2.gz ARGMDJJIPZPBQU-VIFPVBQESA-N -1 3 285.746 3.164 20 0 CGADHM C[C@H]1CCN(C(=O)c2cc(=O)c3ccccc3[n-]2)C[C@@H](C)C1 ZINC000269849661 378272843 /nfs/dbraw/zinc/27/28/43/378272843.db2.gz XQJZXMFPJQAHAC-STQMWFEESA-N -1 3 298.386 3.449 20 0 CGADHM Cc1oc2ccccc2c1C(=O)Nc1nc(C)ccc1[O-] ZINC000345406211 378277531 /nfs/dbraw/zinc/27/75/31/378277531.db2.gz HCOQCDNTMZZDDM-UHFFFAOYSA-N -1 3 282.299 3.403 20 0 CGADHM C[C@H](NC(=O)Cc1cncc([O-])c1)c1ccc(C2CC2)cc1 ZINC000580346258 378242958 /nfs/dbraw/zinc/24/29/58/378242958.db2.gz ZVEGHJDDHKPRKJ-LBPRGKRZSA-N -1 3 296.370 3.085 20 0 CGADHM CC1(C)C[C@@H]1CNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000345474552 378292036 /nfs/dbraw/zinc/29/20/36/378292036.db2.gz ACFVCGONKUCAPZ-GFCCVEGCSA-N -1 3 279.355 3.016 20 0 CGADHM Cc1ccc([C@@H](C)N(C)Cc2ccc(C(=O)[O-])cn2)cc1 ZINC000582246849 378297895 /nfs/dbraw/zinc/29/78/95/378297895.db2.gz SETJJGKMVNTOSJ-CYBMUJFWSA-N -1 3 284.359 3.281 20 0 CGADHM Cc1ccccc1-c1cc(=NC(=O)[C@H]2CC[C@@H](C)C2)[nH][n-]1 ZINC000345587475 378317643 /nfs/dbraw/zinc/31/76/43/378317643.db2.gz GVOHZUXIGIUESP-YPMHNXCESA-N -1 3 283.375 3.182 20 0 CGADHM Cc1c2ccccc2oc1C(=O)Nc1nc(C)ccc1[O-] ZINC000345942521 378415890 /nfs/dbraw/zinc/41/58/90/378415890.db2.gz PZAPPTXZMMGNRH-UHFFFAOYSA-N -1 3 282.299 3.403 20 0 CGADHM CCCC(CCC)C(=O)Nc1nc(C)ccc1[O-] ZINC000345923503 378409266 /nfs/dbraw/zinc/40/92/66/378409266.db2.gz HYHDWRIUPHWEHZ-UHFFFAOYSA-N -1 3 250.342 3.251 20 0 CGADHM CSCc1ccc(C(=O)Nc2nc(C)ccc2[O-])cc1 ZINC000345939155 378414341 /nfs/dbraw/zinc/41/43/41/378414341.db2.gz YZFRLINLLBDDNO-UHFFFAOYSA-N -1 3 288.372 3.211 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2cccc(Cl)c2)n1 ZINC000345936558 378414398 /nfs/dbraw/zinc/41/43/98/378414398.db2.gz WDIRGOINAUKPTC-UHFFFAOYSA-N -1 3 262.696 3.001 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2ccc(-c3ccccc3)[nH]2)n1 ZINC000345936793 378414644 /nfs/dbraw/zinc/41/46/44/378414644.db2.gz KCWUTAZEXSJUBU-UHFFFAOYSA-N -1 3 293.326 3.343 20 0 CGADHM [O-]c1cccnc1CN1CCSC2(CCCCC2)C1 ZINC000584080255 378373288 /nfs/dbraw/zinc/37/32/88/378373288.db2.gz UWDMOEBLWHFXTP-UHFFFAOYSA-N -1 3 278.421 3.039 20 0 CGADHM COc1ccc(Cl)cc1C(=O)Nc1nc(C)ccc1[O-] ZINC000345938190 378414856 /nfs/dbraw/zinc/41/48/56/378414856.db2.gz LKJJHRQINLBRQN-UHFFFAOYSA-N -1 3 292.722 3.010 20 0 CGADHM CCOCCN(CC)C(=O)c1ccc(C(C)C)cc1[O-] ZINC000270702497 378390744 /nfs/dbraw/zinc/39/07/44/378390744.db2.gz ILNNHXMGYZRIOU-UHFFFAOYSA-N -1 3 279.380 3.014 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2sccc2C2CC2)n1 ZINC000345995270 378434191 /nfs/dbraw/zinc/43/41/91/378434191.db2.gz SJXFACFVUTUCHC-UHFFFAOYSA-N -1 3 274.345 3.287 20 0 CGADHM Cc1noc([N-]C(=O)[C@H](C)OCc2ccc(C)cc2)c1C ZINC000636924932 378438974 /nfs/dbraw/zinc/43/89/74/378438974.db2.gz LAQWYOOVFXGWKI-ZDUSSCGKSA-N -1 3 288.347 3.144 20 0 CGADHM Cc1cc(C(=O)N(C(C)C)C2CCCC2)ccc1[O-] ZINC000272423367 378633200 /nfs/dbraw/zinc/63/32/00/378633200.db2.gz KLNMAJULKFTPNS-UHFFFAOYSA-N -1 3 261.365 3.494 20 0 CGADHM CCSCC[C@@H](C)N(C)Cc1cc(C(=O)[O-])oc1C ZINC000566363625 322119110 /nfs/dbraw/zinc/11/91/10/322119110.db2.gz QCZAFCBIQAGTKL-SNVBAGLBSA-N -1 3 285.409 3.250 20 0 CGADHM CC(C)[C@H]1C[C@@H](CC(=O)[N-]OCc2ccccc2)CCO1 ZINC000272924374 378723588 /nfs/dbraw/zinc/72/35/88/378723588.db2.gz MDEXHHXSVOCGRL-JKSUJKDBSA-N -1 3 291.391 3.076 20 0 CGADHM Cc1cccc(F)c1NC([O-])=NOC1CCCC1 ZINC000274034861 378766960 /nfs/dbraw/zinc/76/69/60/378766960.db2.gz AEGFYDNDTSYGIM-UHFFFAOYSA-N -1 3 252.289 3.130 20 0 CGADHM Cc1cccc(F)c1NC(=O)[N-]OC1CCCC1 ZINC000274034861 378766966 /nfs/dbraw/zinc/76/69/66/378766966.db2.gz AEGFYDNDTSYGIM-UHFFFAOYSA-N -1 3 252.289 3.130 20 0 CGADHM CC[C@@](C)(NCc1nc(C)ccc1[O-])c1nc(C)cs1 ZINC000266183425 190238162 /nfs/dbraw/zinc/23/81/62/190238162.db2.gz WGKVMHRSUVJJGB-OAHLLOKOSA-N -1 3 291.420 3.276 20 0 CGADHM COc1cc(SC)ccc1NCc1nc(C)ccc1[O-] ZINC000278473410 194000921 /nfs/dbraw/zinc/00/09/21/194000921.db2.gz HXAOSLUEANJHFV-UHFFFAOYSA-N -1 3 290.388 3.438 20 0 CGADHM CCCN(CCC)C(=O)c1c[n-]c2ccc(C)cc2c1=O ZINC000346872380 218042778 /nfs/dbraw/zinc/04/27/78/218042778.db2.gz YEHWWRZAOFNOOK-UHFFFAOYSA-N -1 3 286.375 3.099 20 0 CGADHM O=C(NCc1ncccc1[O-])Nc1cccc2ccccc21 ZINC000348451482 378956809 /nfs/dbraw/zinc/95/68/09/378956809.db2.gz RPPUIEJDHJNKNN-UHFFFAOYSA-N -1 3 293.326 3.262 20 0 CGADHM COC(=O)c1cc(C(=O)Nc2ccc(C3CC3)c(C)c2)c[n-]1 ZINC000347178699 218146320 /nfs/dbraw/zinc/14/63/20/218146320.db2.gz HCAPIIHXDZCSCB-UHFFFAOYSA-N -1 3 298.342 3.239 20 0 CGADHM COc1cc(C(=O)NCC[C@@H](C)c2ccccc2)ccc1[O-] ZINC000276904193 379017680 /nfs/dbraw/zinc/01/76/80/379017680.db2.gz JOCYSANATJEKMJ-CYBMUJFWSA-N -1 3 299.370 3.324 20 0 CGADHM CCCN(CC(F)F)C(=O)c1cc([O-])ccc1Cl ZINC000277292826 379122828 /nfs/dbraw/zinc/12/28/28/379122828.db2.gz AJVXIERTBYBJJX-UHFFFAOYSA-N -1 3 277.698 3.163 20 0 CGADHM Cc1ccc(CN[C@H](Cc2cccc(Cl)c2)C(=O)[O-])o1 ZINC000277478934 379168508 /nfs/dbraw/zinc/16/85/08/379168508.db2.gz WOKVJSAKKQWUQE-CQSZACIVSA-N -1 3 293.750 3.027 20 0 CGADHM CC[C@@H](C)n1nc(NCc2cc([O-])cc(F)c2)cc1C ZINC000349598892 379316920 /nfs/dbraw/zinc/31/69/20/379316920.db2.gz NNGWYODGSOVQQT-SNVBAGLBSA-N -1 3 277.343 3.041 20 0 CGADHM [O-]c1cc(F)cc(CN[C@H](c2cccnc2)C2CC2)c1 ZINC000349667735 379338523 /nfs/dbraw/zinc/33/85/23/379338523.db2.gz MSTUQOYVIKYXSV-INIZCTEOSA-N -1 3 272.323 3.167 20 0 CGADHM CCCN(CC)C(=O)c1cc([O-])ccc1C(F)(F)F ZINC000279535090 379453943 /nfs/dbraw/zinc/45/39/43/379453943.db2.gz ADAOPBBPIDBWEL-UHFFFAOYSA-N -1 3 275.270 3.283 20 0 CGADHM C[C@H](CCNC(=O)NCc1ncccc1[O-])CC(C)(C)C ZINC000349953379 379455209 /nfs/dbraw/zinc/45/52/09/379455209.db2.gz BLCJHOLQCOFJHQ-GFCCVEGCSA-N -1 3 293.411 3.049 20 0 CGADHM CO[C@H]1CCC[C@@H](CC(=O)Nc2ccc(C)cc2[O-])C1 ZINC000279630970 379475854 /nfs/dbraw/zinc/47/58/54/379475854.db2.gz KVWVNOXAOMLSOA-OLZOCXBDSA-N -1 3 277.364 3.234 20 0 CGADHM CCC[C@@H](C)CC(=O)N1CCCc2cccc([O-])c21 ZINC000347642730 218302325 /nfs/dbraw/zinc/30/23/25/218302325.db2.gz BEFUYUSTBQTJIA-GFCCVEGCSA-N -1 3 261.365 3.498 20 0 CGADHM C[C@H]1Oc2cc(F)ccc2[C@@H]1NCc1cc([O-])cc(F)c1 ZINC000377382337 379666494 /nfs/dbraw/zinc/66/64/94/379666494.db2.gz KZCVFRSEINXDBN-JDNHERCYSA-N -1 3 291.297 3.282 20 0 CGADHM COc1cc(C(=O)N[C@H]2C[C@H](c3ccccc3)C2)ccc1[O-] ZINC000280679304 379762991 /nfs/dbraw/zinc/76/29/91/379762991.db2.gz MFJWYFZUKWVSTM-SHTZXODSSA-N -1 3 297.354 3.077 20 0 CGADHM CC1(C)[C@@H]2CN(Cc3cccc(C(=O)[O-])c3Cl)C[C@@H]21 ZINC000380397347 379865450 /nfs/dbraw/zinc/86/54/50/379865450.db2.gz LSNLPWVMWQIAJO-TXEJJXNPSA-N -1 3 279.767 3.126 20 0 CGADHM CS[C@@H](C)CCC(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000570969792 322286752 /nfs/dbraw/zinc/28/67/52/322286752.db2.gz KLEMNVYCOCGMJW-VIFPVBQESA-N -1 3 281.377 3.065 20 0 CGADHM C[C@@H](CC(F)(F)F)C(=O)Nc1ccc([O-])cc1F ZINC000402477775 379965578 /nfs/dbraw/zinc/96/55/78/379965578.db2.gz DENSOPDSGVIHII-LURJTMIESA-N -1 3 265.206 3.058 20 0 CGADHM C[C@@H](CC(F)(F)F)c1nc(-c2ccc([O-])cc2)no1 ZINC000402540468 379967239 /nfs/dbraw/zinc/96/72/39/379967239.db2.gz ANKCYJXVEVDKNA-ZETCQYMHSA-N -1 3 272.226 3.498 20 0 CGADHM C[C@@H]1C[C@H](C)[C@H](C(=O)N2CC[C@@H](C)c3cccc([O-])c32)O1 ZINC000282778273 379986495 /nfs/dbraw/zinc/98/64/95/379986495.db2.gz QBKVFKPMZAUFDM-AZKPJATDSA-N -1 3 289.375 3.046 20 0 CGADHM [O-]c1ccc(F)c(CN2CC[C@@H]3CCC[C@H]32)c1F ZINC000352990253 380067347 /nfs/dbraw/zinc/06/73/47/380067347.db2.gz TTZBPBBNKFYUCD-JOYOIKCWSA-N -1 3 253.292 3.045 20 0 CGADHM [O-]c1cccnc1CNCc1ccccc1OC1CCCC1 ZINC000347913065 218396143 /nfs/dbraw/zinc/39/61/43/218396143.db2.gz WRSMDPVMBSEERS-UHFFFAOYSA-N -1 3 298.386 3.398 20 0 CGADHM FC(F)(F)c1csc([N-]c2cc3n(n2)CCCC3)n1 ZINC000286272366 380186064 /nfs/dbraw/zinc/18/60/64/380186064.db2.gz FSXRJGZLZFLIEC-UHFFFAOYSA-N -1 3 288.298 3.438 20 0 CGADHM CN(CCCC(=O)[O-])Cc1ccc(Oc2ccccc2)o1 ZINC000414638491 380348842 /nfs/dbraw/zinc/34/88/42/380348842.db2.gz ODWNBKCYISJDEB-UHFFFAOYSA-N -1 3 289.331 3.369 20 0 CGADHM CCc1ccc([O-])c(C(=O)N(C)[C@H](C)C2(C)CC2)c1 ZINC000354767959 380553731 /nfs/dbraw/zinc/55/37/31/380553731.db2.gz XQIJGLRJRKRTHE-LLVKDONJSA-N -1 3 261.365 3.215 20 0 CGADHM COc1cc(NCc2cc(=O)[n-]c(C3CC3)n2)c(C)cc1C ZINC000417021337 380560132 /nfs/dbraw/zinc/56/01/32/380560132.db2.gz GKGOENSDLVBSDV-UHFFFAOYSA-N -1 3 299.374 3.297 20 0 CGADHM COc1cc(C)cc(NCc2cc(=O)[n-]c(C3CC3)n2)c1C ZINC000417017141 380560610 /nfs/dbraw/zinc/56/06/10/380560610.db2.gz AYRJAKMVYMDKND-UHFFFAOYSA-N -1 3 299.374 3.297 20 0 CGADHM COCc1ccc(CN[C@H](C(=O)[O-])c2ccc(C)cc2)cc1 ZINC000417531175 380633357 /nfs/dbraw/zinc/63/33/57/380633357.db2.gz JDCCLKDBXKZZNC-KRWDZBQOSA-N -1 3 299.370 3.057 20 0 CGADHM COc1cccc(Cl)c1CN[C@H](C)CCCCC(=O)[O-] ZINC000417550143 380636473 /nfs/dbraw/zinc/63/64/73/380636473.db2.gz UPYCFQRTKYKKFG-LLVKDONJSA-N -1 3 299.798 3.472 20 0 CGADHM CCOc1c(Cl)cccc1CN[C@H](C)CCCC(=O)[O-] ZINC000417555123 380636648 /nfs/dbraw/zinc/63/66/48/380636648.db2.gz DTIWRVNHWIPTQG-LLVKDONJSA-N -1 3 299.798 3.472 20 0 CGADHM CCC[C@@H](C)C[C@H](NCc1ccc(Cl)o1)C(=O)[O-] ZINC000417571717 380641676 /nfs/dbraw/zinc/64/16/76/380641676.db2.gz XWUFIODGNXWQCG-KOLCDFICSA-N -1 3 273.760 3.302 20 0 CGADHM Cc1ncsc1CN[C@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000417570353 380641799 /nfs/dbraw/zinc/64/17/99/380641799.db2.gz WGAFRPAIDPJCDX-YGRLFVJLSA-N -1 3 290.388 3.003 20 0 CGADHM C[C@@H](OC(C)(C)C)[C@H](NCc1ccccc1Cl)C(=O)[O-] ZINC000417593021 380644706 /nfs/dbraw/zinc/64/47/06/380644706.db2.gz ZBNJFXSZMUWJCG-MFKMUULPSA-N -1 3 299.798 3.086 20 0 CGADHM Cc1ccc(CNCCC2(CC(=O)[O-])CCCCC2)o1 ZINC000417655064 380662468 /nfs/dbraw/zinc/66/24/68/380662468.db2.gz UWEWWZLIPIQNPB-UHFFFAOYSA-N -1 3 279.380 3.493 20 0 CGADHM Cc1sccc1CN[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000417619688 380655520 /nfs/dbraw/zinc/65/55/20/380655520.db2.gz FKZBLGMMRMBRQM-CABCVRRESA-N -1 3 287.384 3.459 20 0 CGADHM Cc1cc(Cl)cc(C)c1CN[C@H]1C=C[C@H](C(=O)[O-])C1 ZINC000417632248 380658182 /nfs/dbraw/zinc/65/81/82/380658182.db2.gz ZPUINVDAPYIBOW-AAEUAGOBSA-N -1 3 279.767 3.076 20 0 CGADHM CC[C@H](CCC(=O)[O-])NCc1ccc(F)cc1Cl ZINC000417633234 380659487 /nfs/dbraw/zinc/65/94/87/380659487.db2.gz ZLQDHHIEMRAYOT-LLVKDONJSA-N -1 3 273.735 3.212 20 0 CGADHM C[C@H](CC(C)(C)NCc1cccc(Cl)c1F)C(=O)[O-] ZINC000417640646 380661065 /nfs/dbraw/zinc/66/10/65/380661065.db2.gz ZJKSYGXDVJSCIT-SECBINFHSA-N -1 3 287.762 3.458 20 0 CGADHM C[C@]1(NC(=O)c2cccc([O-])c2)CCCc2ccccc21 ZINC000357434515 381156706 /nfs/dbraw/zinc/15/67/06/381156706.db2.gz SDGQZRXRXMVPIP-SFHVURJKSA-N -1 3 281.355 3.374 20 0 CGADHM COc1cc(C(=O)NCC(C)(C)c2ccccc2)ccc1[O-] ZINC000357589396 381221094 /nfs/dbraw/zinc/22/10/94/381221094.db2.gz BGLZIZJAPFDXCW-UHFFFAOYSA-N -1 3 299.370 3.108 20 0 CGADHM COc1cc(C(=O)N2C[C@@H](C)CCC[C@@H]2C)ccc1[O-] ZINC000357607404 381228917 /nfs/dbraw/zinc/22/89/17/381228917.db2.gz VWDGLTUVJCFMRW-RYUDHWBXSA-N -1 3 277.364 3.052 20 0 CGADHM COc1ccc([O-])c(C(=O)Nc2ccc(C3CCC3)cn2)c1 ZINC000360072528 381436063 /nfs/dbraw/zinc/43/60/63/381436063.db2.gz APBNWVZAQHNREG-UHFFFAOYSA-N -1 3 298.342 3.316 20 0 CGADHM CC[C@@H](C)C(=O)Nc1nnc(-c2cc3ccccc3o2)[n-]1 ZINC000362245007 381918695 /nfs/dbraw/zinc/91/86/95/381918695.db2.gz PLIAJIQTFIVHIM-SECBINFHSA-N -1 3 284.319 3.203 20 0 CGADHM CC[C@@H](C)C(=O)Nc1nc(-c2cc3ccccc3o2)n[n-]1 ZINC000362245007 381918701 /nfs/dbraw/zinc/91/87/01/381918701.db2.gz PLIAJIQTFIVHIM-SECBINFHSA-N -1 3 284.319 3.203 20 0 CGADHM CC[C@@H](C)C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000362245007 381918705 /nfs/dbraw/zinc/91/87/05/381918705.db2.gz PLIAJIQTFIVHIM-SECBINFHSA-N -1 3 284.319 3.203 20 0 CGADHM CSCCO[N-]C(=O)/C(C)=C/c1cccc(Cl)c1 ZINC000280027543 194674971 /nfs/dbraw/zinc/67/49/71/194674971.db2.gz OGQMWBAHGQOPHA-CSKARUKUSA-N -1 3 285.796 3.154 20 0 CGADHM CCOc1cc(-c2noc(C3(CCF)CC3)n2)ccc1[O-] ZINC000289773089 197478830 /nfs/dbraw/zinc/47/88/30/197478830.db2.gz LJVMBYGUTHGVFA-UHFFFAOYSA-N -1 3 292.310 3.232 20 0 CGADHM Cc1cc(C)c2[n-]cc(C(=O)N3CC[C@H](C)C3)c(=O)c2c1 ZINC000274895846 291838372 /nfs/dbraw/zinc/83/83/72/291838372.db2.gz CBJVJCHXFMDIMH-JTQLQIEISA-N -1 3 284.359 3.039 20 0 CGADHM CCCCN(C)C(=O)c1cc([O-])c2ccccc2c1 ZINC000280861387 542382811 /nfs/dbraw/zinc/38/28/11/542382811.db2.gz QRBNJXKTEMORQT-UHFFFAOYSA-N -1 3 257.333 3.418 20 0 CGADHM COCCCCCNC(=O)c1cc([O-])c2ccccc2c1 ZINC000279421733 542379097 /nfs/dbraw/zinc/37/90/97/542379097.db2.gz CUSGTQVVEMYRRR-UHFFFAOYSA-N -1 3 287.359 3.092 20 0 CGADHM O=C(c1cc([O-])c2ccccc2c1)N1C[C@@H]2CCC[C@H]2C1 ZINC000280208572 542381224 /nfs/dbraw/zinc/38/12/24/542381224.db2.gz FMQPZKQFMSSTEL-KBPBESRZSA-N -1 3 281.355 3.418 20 0 CGADHM COc1cc(C)cc(-c2nc([C@@H]3CCCS3)no2)c1[O-] ZINC000274138112 542372303 /nfs/dbraw/zinc/37/23/03/542372303.db2.gz LSQVINCWZMQBDI-NSHDSACASA-N -1 3 292.360 3.327 20 0 CGADHM CN(Cc1ccc(F)cc1)Cc1c(F)ccc([O-])c1F ZINC000350238395 219002235 /nfs/dbraw/zinc/00/22/35/219002235.db2.gz CKOTVWTUVNPHOV-UHFFFAOYSA-N -1 3 281.277 3.442 20 0 CGADHM C[C@@H]([N-]C(=O)C(C)(F)F)c1ncc(-c2ccccc2)o1 ZINC000289271266 197281097 /nfs/dbraw/zinc/28/10/97/197281097.db2.gz RJIQJKKMHDBRDS-SECBINFHSA-N -1 3 280.274 3.174 20 0 CGADHM Cc1cccc(S(=O)(=O)[N-][C@H](C)c2ccsc2)c1F ZINC000313232652 542434306 /nfs/dbraw/zinc/43/43/06/542434306.db2.gz YXDUURNXPXIYTL-SNVBAGLBSA-N -1 3 299.392 3.235 20 0 CGADHM O=C(Nc1ccc(Cl)cc1[O-])[C@H]1COc2ccccc21 ZINC000533617321 288390262 /nfs/dbraw/zinc/39/02/62/288390262.db2.gz OYIRNJTUOWWRDN-NSHDSACASA-N -1 3 289.718 3.160 20 0 CGADHM FC1(c2nc(-c3ccc4n[n-]nc4c3)no2)CCCCC1 ZINC000351450230 542547473 /nfs/dbraw/zinc/54/74/73/542547473.db2.gz DJASLVBLLCBHIJ-UHFFFAOYSA-N -1 3 287.298 3.137 20 0 CGADHM CN(CC[C@@H]1CCCO1)C(=O)c1cc([O-])c2ccccc2c1 ZINC000355940966 542569234 /nfs/dbraw/zinc/56/92/34/542569234.db2.gz BXTXDKRVCFZWQO-HNNXBMFYSA-N -1 3 299.370 3.187 20 0 CGADHM [O-]c1cc(F)cc(CN[C@H]2CCc3c2cccc3O)c1 ZINC000274440657 285381289 /nfs/dbraw/zinc/38/12/89/285381289.db2.gz OQNQTFLYPBZEEB-HNNXBMFYSA-N -1 3 273.307 3.014 20 0 CGADHM COc1ncccc1-c1noc(/C=C/c2cccc([O-])c2)n1 ZINC000435958240 533247102 /nfs/dbraw/zinc/24/71/02/533247102.db2.gz NMICETUAXGWEQT-BQYQJAHWSA-N -1 3 295.298 3.016 20 0 CGADHM COc1ccc2c(c1NC(=O)c1ccc([O-])c(C)c1)CCC2 ZINC000436550501 533320081 /nfs/dbraw/zinc/32/00/81/533320081.db2.gz ZHEFDEKRYYBOAI-UHFFFAOYSA-N -1 3 297.354 3.450 20 0 CGADHM COc1cccc(CCCNC(=O)c2cccc(C)c2[O-])c1 ZINC000436747900 533455935 /nfs/dbraw/zinc/45/59/35/533455935.db2.gz CONKZMQHBWBFPC-UHFFFAOYSA-N -1 3 299.370 3.072 20 0 CGADHM COc1cccc(C(=O)N[C@@H]2c3ccccc3C[C@H]2C)c1[O-] ZINC000436836353 533415961 /nfs/dbraw/zinc/41/59/61/533415961.db2.gz DBJYGVFAGIRXHR-BZNIZROVSA-N -1 3 297.354 3.064 20 0 CGADHM Cc1ccc(C(=O)Nc2ccccc2F)c([O-])c1C ZINC000436749101 533616900 /nfs/dbraw/zinc/61/69/00/533616900.db2.gz ACHCWTFBYLBGFQ-UHFFFAOYSA-N -1 3 259.280 3.400 20 0 CGADHM Cc1ccc(C(=O)Nc2ccnn2[C@H](C)C2CC2)c([O-])c1 ZINC000193124703 533617998 /nfs/dbraw/zinc/61/79/98/533617998.db2.gz XZJUTDOHNZYGSJ-LLVKDONJSA-N -1 3 285.347 3.120 20 0 CGADHM Cc1ccc(C(=O)N[C@H]2C[C@@H]2Cc2ccccc2)c([O-])c1 ZINC000436937444 533603448 /nfs/dbraw/zinc/60/34/48/533603448.db2.gz INJRTDWOKNDWGL-HOCLYGCPSA-N -1 3 281.355 3.062 20 0 CGADHM Cc1oc(C(=O)[O-])cc1CN(C)[C@@H](C)C(C)(C)C ZINC000051361665 392068709 /nfs/dbraw/zinc/06/87/09/392068709.db2.gz ALZTVOJPNMAFSU-JTQLQIEISA-N -1 3 253.342 3.153 20 0 CGADHM COc1ccc2nc(-c3cccc(Cl)c3)[n-]c(=O)c2c1 ZINC000063580908 392138064 /nfs/dbraw/zinc/13/80/64/392138064.db2.gz LREYVKUDJKPFJI-UHFFFAOYSA-N -1 3 286.718 3.252 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C)c(O)c2)cc1C ZINC000070332872 392180935 /nfs/dbraw/zinc/18/09/35/392180935.db2.gz JFSGFIMKJSBBQB-UHFFFAOYSA-N -1 3 291.372 3.118 20 0 CGADHM COc1cccc(C(=O)NCC[C@H]2CCC[C@H](C)C2)c1[O-] ZINC000070549589 392183864 /nfs/dbraw/zinc/18/38/64/392183864.db2.gz PGGRPCZFWXWGAU-QWHCGFSZSA-N -1 3 291.391 3.347 20 0 CGADHM Cc1cc([N-]C(=O)c2sc(C(F)(F)F)nc2C)no1 ZINC000074631179 392214176 /nfs/dbraw/zinc/21/41/76/392214176.db2.gz PKACLVFFYJXESH-UHFFFAOYSA-N -1 3 291.254 3.019 20 0 CGADHM O=C([N-]C1=NCCS1)[C@H]1C[C@@H]1c1cccc2ccccc21 ZINC000107424885 392322428 /nfs/dbraw/zinc/32/24/28/392322428.db2.gz GCTUFBCAXYQPFV-CABCVRRESA-N -1 3 296.395 3.162 20 0 CGADHM C[C@H](c1ccc(F)c(F)c1)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000262058279 131187689 /nfs/dbraw/zinc/18/76/89/131187689.db2.gz BEMGGSLWPKFDMB-RSAASHCRSA-N -1 3 295.329 3.213 20 0 CGADHM CCc1cccc(NC(=O)NCc2ncccc2[O-])c1CC ZINC000470148919 542700863 /nfs/dbraw/zinc/70/08/63/542700863.db2.gz NQETXDNYJJFURP-UHFFFAOYSA-N -1 3 299.374 3.234 20 0 CGADHM CC[C@@H]1CCN1C(=O)c1cc([O-])c2ccccc2c1 ZINC000293942989 392530483 /nfs/dbraw/zinc/53/04/83/392530483.db2.gz INVJJXJVTDKBPW-CYBMUJFWSA-N -1 3 255.317 3.170 20 0 CGADHM [O-]c1cc(F)cc(CNCc2ncoc2-c2ccccc2)c1 ZINC000372113871 392584400 /nfs/dbraw/zinc/58/44/00/392584400.db2.gz WCHLARBLLAUJEG-UHFFFAOYSA-N -1 3 298.317 3.476 20 0 CGADHM COc1cccc(-c2nc(Cc3cccc(C)c3)no2)c1[O-] ZINC000315765062 392669531 /nfs/dbraw/zinc/66/95/31/392669531.db2.gz ZIQWRHCZBXDQSN-UHFFFAOYSA-N -1 3 296.326 3.350 20 0 CGADHM CC[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(C)cc2F)C1 ZINC000303898156 392626832 /nfs/dbraw/zinc/62/68/32/392626832.db2.gz SLKPYYIFOPMZTI-QWHCGFSZSA-N -1 3 299.411 3.381 20 0 CGADHM CC[C@H](Cc1ccccc1)N(C)C(=O)c1ccccc1[O-] ZINC000173560238 392627011 /nfs/dbraw/zinc/62/70/11/392627011.db2.gz WMGFISIWKOJDKF-OAHLLOKOSA-N -1 3 283.371 3.486 20 0 CGADHM COc1ccc([O-])c(C(=O)N2CC[C@H](CC(C)(C)C)C2)c1 ZINC000307775290 392655078 /nfs/dbraw/zinc/65/50/78/392655078.db2.gz NAZMMYKPERTDFY-GFCCVEGCSA-N -1 3 291.391 3.299 20 0 CGADHM CCCCCN(C(=O)c1cc(C)nc(=O)[n-]1)[C@H](C)CCC ZINC000509319713 392744636 /nfs/dbraw/zinc/74/46/36/392744636.db2.gz CWUCWTQPRCMIRG-CYBMUJFWSA-N -1 3 293.411 3.312 20 0 CGADHM Cc1ccc(C[C@@H](C)NC(=O)c2cccc([O-])c2)c(C)c1 ZINC000182409000 392746500 /nfs/dbraw/zinc/74/65/00/392746500.db2.gz FSZOZRDICPGLGI-CQSZACIVSA-N -1 3 283.371 3.370 20 0 CGADHM CCc1cccc(NC(=O)c2ccc3n[n-]nc3c2)c1CC ZINC000489562397 542715973 /nfs/dbraw/zinc/71/59/73/542715973.db2.gz OTBZXBTYLRHBPK-UHFFFAOYSA-N -1 3 294.358 3.335 20 0 CGADHM Cc1cc(Cl)cc(CN2CC[C@H](C(=O)[O-])[C@H](C)C2)c1 ZINC000395105038 392941264 /nfs/dbraw/zinc/94/12/64/392941264.db2.gz KOSZBPQJRXKYTD-RISCZKNCSA-N -1 3 281.783 3.191 20 0 CGADHM O=C(c1cc([O-])c2ccccc2c1)N1C2CCC1CC2 ZINC000527165779 542741951 /nfs/dbraw/zinc/74/19/51/542741951.db2.gz OEXXQNLWCCSOEH-UHFFFAOYSA-N -1 3 267.328 3.312 20 0 CGADHM Cc1cccc(C(=O)NCCO[C@@H]2CCCC[C@@H]2C)c1[O-] ZINC000195594308 392971660 /nfs/dbraw/zinc/97/16/60/392971660.db2.gz QHDCKAWKZXUIJE-SWLSCSKDSA-N -1 3 291.391 3.026 20 0 CGADHM CCC(CC)(CC)C[N-]S(=O)(=O)c1cccs1 ZINC000469028107 393173988 /nfs/dbraw/zinc/17/39/88/393173988.db2.gz ULJJMMBUQSYIGT-UHFFFAOYSA-N -1 3 275.439 3.243 20 0 CGADHM C[C@@H]1CCN(C(=O)c2cc(=O)c3ccccc3[n-]2)[C@@H](C)C1 ZINC000265960165 393175529 /nfs/dbraw/zinc/17/55/29/393175529.db2.gz YGZKBDYESJDDTI-NEPJUHHUSA-N -1 3 284.359 3.201 20 0 CGADHM C[C@@H]1C[C@@H](C)CN(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000468551635 393152091 /nfs/dbraw/zinc/15/20/91/393152091.db2.gz DRFALOHTUXATEL-CHWSQXEVSA-N -1 3 293.382 3.359 20 0 CGADHM CCO[C@@H](CC(=O)N1CCCc2cccc([O-])c21)C(C)C ZINC000352654618 393204157 /nfs/dbraw/zinc/20/41/57/393204157.db2.gz CKAMCAVBZSQONV-HNNXBMFYSA-N -1 3 291.391 3.123 20 0 CGADHM Cc1cccc(C(=O)N2CCCC[C@H]2C2CCC2)c1[O-] ZINC000648705814 393214752 /nfs/dbraw/zinc/21/47/52/393214752.db2.gz QZSBXZSDUFTVON-HNNXBMFYSA-N -1 3 273.376 3.495 20 0 CGADHM O=C(Nc1c([O-])cccc1Cl)c1cc(Cl)ccn1 ZINC000646488444 393292499 /nfs/dbraw/zinc/29/24/99/393292499.db2.gz VZZPOLGLMWPQGT-UHFFFAOYSA-N -1 3 283.114 3.346 20 0 CGADHM Cc1cc(S(=O)(=O)[N-]CCC(C)C)c(Cl)cc1F ZINC000471695604 393293451 /nfs/dbraw/zinc/29/34/51/393293451.db2.gz DNGOAIYZCCVSCR-UHFFFAOYSA-N -1 3 293.791 3.112 20 0 CGADHM CN(C(=O)c1ccc(O)cc1[O-])[C@@H]1CCC[C@H]1C(C)(C)C ZINC000416291235 393294060 /nfs/dbraw/zinc/29/40/60/393294060.db2.gz NYHCGTHRFJFBKL-ZIAGYGMSSA-N -1 3 291.391 3.385 20 0 CGADHM O=C([O-])CC1(CNCc2c(F)cccc2F)CCCCC1 ZINC000277039822 393305350 /nfs/dbraw/zinc/30/53/50/393305350.db2.gz QQYAHGYESBJMOF-UHFFFAOYSA-N -1 3 297.345 3.480 20 0 CGADHM C[C@@H]1CCC[C@H](NC(=O)c2cc([O-])ccc2Cl)C1 ZINC000277295794 393308003 /nfs/dbraw/zinc/30/80/03/393308003.db2.gz DDIMRXHEZFHYRA-ZJUUUORDSA-N -1 3 267.756 3.354 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H]2C(C)(C)C)o1 ZINC000416630609 393318639 /nfs/dbraw/zinc/31/86/39/393318639.db2.gz IJKWOTOPTHYFMS-VXGBXAGGSA-N -1 3 285.409 3.081 20 0 CGADHM C[C@H]1CCCN1S(=O)(=O)[N-]c1cccc2ccsc21 ZINC000471969904 393324447 /nfs/dbraw/zinc/32/44/47/393324447.db2.gz KXGRHGRTJUYNMU-JTQLQIEISA-N -1 3 296.417 3.042 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)[C@@]2(C)CCCOC2)c1[O-] ZINC000272743536 393265211 /nfs/dbraw/zinc/26/52/11/393265211.db2.gz MKXMJDKMVHXVFC-AWEZNQCLSA-N -1 3 283.755 3.109 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)c1cc2ccccc2n1C ZINC000649232791 393380896 /nfs/dbraw/zinc/38/08/96/393380896.db2.gz PDWLIAWFUNWKFI-UHFFFAOYSA-N -1 3 296.374 3.007 20 0 CGADHM Cc1nc(CC2CC2)oc1C(=O)Nc1c(C)cccc1[O-] ZINC000356225773 393388367 /nfs/dbraw/zinc/38/83/67/393388367.db2.gz QCJBMOIVWFHCKF-UHFFFAOYSA-N -1 3 286.331 3.202 20 0 CGADHM C[C@H]1[C@@H](C(=O)Nc2ccccc2[O-])CCN1c1ccccc1 ZINC000356153196 393362166 /nfs/dbraw/zinc/36/21/66/393362166.db2.gz SRCUJRROQFBATJ-ZFWWWQNUSA-N -1 3 296.370 3.246 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)c1csc(C(C)C)n1 ZINC000649231725 393379233 /nfs/dbraw/zinc/37/92/33/393379233.db2.gz DTHLUEODBAKIFM-UHFFFAOYSA-N -1 3 292.408 3.096 20 0 CGADHM CCc1ccc2nccc(N3CC[C@H](C(=O)[O-])[C@@H](C)C3)c2c1 ZINC000649404883 393412826 /nfs/dbraw/zinc/41/28/26/393412826.db2.gz YKAADEFKHPYGQU-JSGCOSHPSA-N -1 3 298.386 3.344 20 0 CGADHM CCc1cc(C(=O)N2CCc3cc(F)ccc32)ccc1[O-] ZINC000488359677 393496541 /nfs/dbraw/zinc/49/65/41/393496541.db2.gz UFQPIDNIHMCWOW-UHFFFAOYSA-N -1 3 285.318 3.297 20 0 CGADHM CSc1cc(C)c(C(=O)[N-]c2nnc(C3CC3)s2)o1 ZINC000666726857 542811043 /nfs/dbraw/zinc/81/10/43/542811043.db2.gz MVEGFPZIDLHIRN-UHFFFAOYSA-N -1 3 295.389 3.291 20 0 CGADHM CCCCN(C(=O)/C=C/c1cncc([O-])c1)[C@H](C)CC ZINC000492440521 393735100 /nfs/dbraw/zinc/73/51/00/393735100.db2.gz MCZFJOBWFSSJPD-SBDDDAINSA-N -1 3 276.380 3.228 20 0 CGADHM Cc1ccncc1/C=C\C(=O)Nc1c(C)cccc1[O-] ZINC000492526061 393749053 /nfs/dbraw/zinc/74/90/53/393749053.db2.gz AERGINHCOWFLBF-SREVYHEPSA-N -1 3 268.316 3.056 20 0 CGADHM Cc1ccc(/C=C/C(=O)Nc2c(C)cccc2[O-])nc1 ZINC000492538658 393750916 /nfs/dbraw/zinc/75/09/16/393750916.db2.gz PJXXIVRREXHTLR-CMDGGOBGSA-N -1 3 268.316 3.056 20 0 CGADHM O=C(/C=C\c1ccc2[nH]ccc2c1)[N-]OC1CCCC1 ZINC000492365567 393724301 /nfs/dbraw/zinc/72/43/01/393724301.db2.gz LFIBSEKFHUEVQH-VURMDHGXSA-N -1 3 270.332 3.172 20 0 CGADHM COc1ccc(/C=C\C(=O)Nc2c(C)cccc2[O-])cc1 ZINC000492395068 393727516 /nfs/dbraw/zinc/72/75/16/393727516.db2.gz GXXIDQDNNBSQQO-FLIBITNWSA-N -1 3 283.327 3.361 20 0 CGADHM CC[C@H](C)c1cc(C(=O)[N-]c2ccnc3ccncc23)on1 ZINC000443654731 393769418 /nfs/dbraw/zinc/76/94/18/393769418.db2.gz JHRGCVPFYKPVEH-JTQLQIEISA-N -1 3 296.330 3.384 20 0 CGADHM C/C=C/C=C\c1nc(-c2ccc([O-])c(OCC)c2)no1 ZINC000445425374 393792605 /nfs/dbraw/zinc/79/26/05/393792605.db2.gz CQIQJLASAMVLOV-WZWXSLMZSA-N -1 3 272.304 3.430 20 0 CGADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2C)sc1Cl ZINC000499689853 393803727 /nfs/dbraw/zinc/80/37/27/393803727.db2.gz JONQLSISCHPDNN-IONNQARKSA-N -1 3 293.841 3.177 20 0 CGADHM CC(C)c1ccc(-c2nc([C@H]3CCCOC3)no2)c([O-])c1 ZINC000445532587 393805103 /nfs/dbraw/zinc/80/51/03/393805103.db2.gz NMYFSETWWMHTCX-LBPRGKRZSA-N -1 3 288.347 3.460 20 0 CGADHM CCCn1c(=O)[n-]nc1SCc1cc(F)ccc1C ZINC000445564087 393807361 /nfs/dbraw/zinc/80/73/61/393807361.db2.gz DSJUTDLBUQBSEV-UHFFFAOYSA-N -1 3 281.356 3.134 20 0 CGADHM Cc1cc(C(=O)N2CC[C@@H](Cc3ccccc3)C2)ccc1[O-] ZINC000499839391 393809468 /nfs/dbraw/zinc/80/94/68/393809468.db2.gz LMYHSNJDEAYUMM-INIZCTEOSA-N -1 3 295.382 3.405 20 0 CGADHM CCCCC1CCC([N-]S(=O)(=O)c2ccco2)CC1 ZINC000445738191 393819398 /nfs/dbraw/zinc/81/93/98/393819398.db2.gz FUJNMUYBQFVLQU-UHFFFAOYSA-N -1 3 285.409 3.307 20 0 CGADHM Cc1ccc(C(=O)Cc2nc(=O)c3cc(C)sc3[n-]2)o1 ZINC000446147998 393851586 /nfs/dbraw/zinc/85/15/86/393851586.db2.gz XXXLNFMANAWFPO-UHFFFAOYSA-N -1 3 288.328 3.032 20 0 CGADHM CCOc1cc(C(=O)[N-]c2ncc(C(C)(C)C)s2)on1 ZINC000449980093 393955790 /nfs/dbraw/zinc/95/57/90/393955790.db2.gz SRGUJSSFOLNHGW-UHFFFAOYSA-N -1 3 295.364 3.080 20 0 CGADHM C[C@@H](NC(=O)c1cc([O-])ccc1C(F)(F)F)C(C)(F)F ZINC000452842867 394128378 /nfs/dbraw/zinc/12/83/78/394128378.db2.gz DWRGUGORCQGBNG-ZCFIWIBFSA-N -1 3 297.223 3.185 20 0 CGADHM CC(C)C[C@]1(C)CCCN1C(=O)c1cccc([O-])c1 ZINC000452981622 394140689 /nfs/dbraw/zinc/14/06/89/394140689.db2.gz FPPHEULZSKMSBD-INIZCTEOSA-N -1 3 261.365 3.433 20 0 CGADHM CCSCCCc1noc(Cc2ccc([O-])c(F)c2)n1 ZINC000453176008 394196724 /nfs/dbraw/zinc/19/67/24/394196724.db2.gz NWDMBEYHWMSOAH-UHFFFAOYSA-N -1 3 296.367 3.191 20 0 CGADHM CCc1cc(C(=O)N[C@@H](C)C2CCCC2)ccc1[O-] ZINC000456896261 394294736 /nfs/dbraw/zinc/29/47/36/394294736.db2.gz MARUOULFZWYBGG-NSHDSACASA-N -1 3 261.365 3.263 20 0 CGADHM COc1cccc(C(=O)N(C)Cc2ccc(C)c(C)c2)c1[O-] ZINC000456955731 394300615 /nfs/dbraw/zinc/30/06/15/394300615.db2.gz USOUVKOXZJRQEK-UHFFFAOYSA-N -1 3 299.370 3.290 20 0 CGADHM Cc1ccc(C(=O)N[C@@H]2CC[C@H]3CCC[C@@H]3C2)c([O-])c1 ZINC000436562975 292075063 /nfs/dbraw/zinc/07/50/63/292075063.db2.gz CFADDQJXHMDPHU-MGPQQGTHSA-N -1 3 273.376 3.399 20 0 CGADHM Cc1ccc(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])nn1 ZINC000412322857 292079632 /nfs/dbraw/zinc/07/96/32/292079632.db2.gz UMFPSWOMRWLWGY-UHFFFAOYSA-N -1 3 285.347 3.040 20 0 CGADHM C[C@H](C(=O)Nc1cc(F)ccc1[O-])C1CCCC1 ZINC000674137478 543273679 /nfs/dbraw/zinc/27/36/79/543273679.db2.gz XEDUFVSHLUQXJF-VIFPVBQESA-N -1 3 251.301 3.296 20 0 CGADHM O=C(CNc1ccccc1Cl)Nc1cc(F)ccc1[O-] ZINC000674265793 543279153 /nfs/dbraw/zinc/27/91/53/543279153.db2.gz DQCXYZSKAPWGDN-UHFFFAOYSA-N -1 3 294.713 3.235 20 0 CGADHM C[C@H](C(=O)[O-])C1(NCc2cc(Cl)ccc2Cl)CC1 ZINC000649509681 397715598 /nfs/dbraw/zinc/71/55/98/397715598.db2.gz DHSAOOYJOSVINC-MRVPVSSYSA-N -1 3 288.174 3.336 20 0 CGADHM Cc1cc2cc(CNC3([C@@H](C)C(=O)[O-])CC3)oc2cc1C ZINC000649509722 397716060 /nfs/dbraw/zinc/71/60/60/397716060.db2.gz FEDIXQWQAVZJHO-LBPRGKRZSA-N -1 3 287.359 3.393 20 0 CGADHM COc1ccc(Cl)c(CN2CCCC[C@H]2CC(=O)[O-])c1 ZINC000650507457 397860412 /nfs/dbraw/zinc/86/04/12/397860412.db2.gz YKYKGLYACYBLHM-LBPRGKRZSA-N -1 3 297.782 3.178 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2cc3c(s2)CCCC3)n1 ZINC000345977827 292165468 /nfs/dbraw/zinc/16/54/68/292165468.db2.gz ICAJDMSGFZKTSW-UHFFFAOYSA-N -1 3 288.372 3.288 20 0 CGADHM CC(C)CS[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000735851162 572745499 /nfs/dbraw/zinc/74/54/99/572745499.db2.gz YLHKEOHEDZDNPF-SNVBAGLBSA-N -1 3 262.382 3.317 20 0 CGADHM CC(C)CS[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000735851162 572745503 /nfs/dbraw/zinc/74/55/03/572745503.db2.gz YLHKEOHEDZDNPF-SNVBAGLBSA-N -1 3 262.382 3.317 20 0 CGADHM Cc1ccc(-c2csc([N-]C(=O)c3cnco3)n2)s1 ZINC000677544004 543454720 /nfs/dbraw/zinc/45/47/20/543454720.db2.gz GDMYLDXFFTYJJV-UHFFFAOYSA-N -1 3 291.357 3.420 20 0 CGADHM COc1cc(C(=O)N2CCC[C@H]3CCCC[C@@H]32)ccc1[O-] ZINC000276105707 286194460 /nfs/dbraw/zinc/19/44/60/286194460.db2.gz JOZPJAOGPSYGJZ-OCCSQVGLSA-N -1 3 289.375 3.196 20 0 CGADHM CN(Cc1ccc(Cl)cc1)C(=O)c1cccc([O-])c1 ZINC000042258660 286893736 /nfs/dbraw/zinc/89/37/36/286893736.db2.gz YLQSSVCIBRZEQX-UHFFFAOYSA-N -1 3 275.735 3.318 20 0 CGADHM COc1ccc(C(=O)N(C)[C@H]2CCC[C@@H](C)C2)c([O-])c1 ZINC000042355413 286893969 /nfs/dbraw/zinc/89/39/69/286893969.db2.gz MPYOMBLTUMZBMK-NEPJUHHUSA-N -1 3 277.364 3.052 20 0 CGADHM Cc1ccc2nc(-c3ccc(F)c(C)c3)[n-]c(=O)c2c1 ZINC000080128436 287063577 /nfs/dbraw/zinc/06/35/77/287063577.db2.gz TZQOPEUNHWYITC-UHFFFAOYSA-N -1 3 268.291 3.346 20 0 CGADHM C[C@]1(C(=O)[O-])CCN(Cc2cccc(C(F)(F)F)c2)C1 ZINC000062936276 165029386 /nfs/dbraw/zinc/02/93/86/165029386.db2.gz CVSYSSJLDAGYKK-ZDUSSCGKSA-N -1 3 287.281 3.002 20 0 CGADHM CC[C@H]1CCCN(C(=O)c2cc(OC)ccc2[O-])CC1 ZINC000079053224 165144422 /nfs/dbraw/zinc/14/44/22/165144422.db2.gz DNQBAVDFGITFNA-LBPRGKRZSA-N -1 3 277.364 3.053 20 0 CGADHM COc1cc(C(=O)[N-]c2cc(Cl)cc(Cl)c2)on1 ZINC000090706887 287104557 /nfs/dbraw/zinc/10/45/57/287104557.db2.gz BZHJLVXWSPHPPS-UHFFFAOYSA-N -1 3 287.102 3.242 20 0 CGADHM Cc1ccc(NCc2nc(C(F)(F)F)cc(=O)[n-]2)cc1C ZINC000092215036 165288186 /nfs/dbraw/zinc/28/81/86/165288186.db2.gz DRXYQZNFZOGRRA-UHFFFAOYSA-N -1 3 297.280 3.018 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2C[C@@H](C)CC[C@@H]2C)c1 ZINC000091989954 287110176 /nfs/dbraw/zinc/11/01/76/287110176.db2.gz FVTXUKUGMJEGRR-RYUDHWBXSA-N -1 3 261.365 3.215 20 0 CGADHM CCc1ccc([O-])c(C(=O)N(C)[C@@H](C)c2ccncc2)c1 ZINC000094067890 165342295 /nfs/dbraw/zinc/34/22/95/165342295.db2.gz YKRODBQUYQXQRJ-LBPRGKRZSA-N -1 3 284.359 3.183 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CCC[C@H]2c2ccncc2)c1 ZINC000093913240 287120633 /nfs/dbraw/zinc/12/06/33/287120633.db2.gz MIINTZZKIWHLJM-INIZCTEOSA-N -1 3 296.370 3.327 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CCCC[C@@H]2c2ncc[nH]2)c1 ZINC000094071831 287121314 /nfs/dbraw/zinc/12/13/14/287121314.db2.gz FDFOSPMFBQBHMJ-CQSZACIVSA-N -1 3 299.374 3.045 20 0 CGADHM CCc1nc([C@@H](C)NC(=O)c2cc(C)ccc2[O-])cs1 ZINC000110505341 287131720 /nfs/dbraw/zinc/13/17/20/287131720.db2.gz JLBKPLNDWOSPKL-SNVBAGLBSA-N -1 3 290.388 3.211 20 0 CGADHM Cc1ccnc(-c2noc(-c3ccc(C)cc3[O-])n2)c1 ZINC000111688661 287136258 /nfs/dbraw/zinc/13/62/58/287136258.db2.gz UCSPNYCHVHUKIB-UHFFFAOYSA-N -1 3 267.288 3.121 20 0 CGADHM O=C(c1ccccc1[O-])N(Cc1cccc(F)c1)C1CC1 ZINC000123474772 287220769 /nfs/dbraw/zinc/22/07/69/287220769.db2.gz ZSVKYNUNZLERHL-UHFFFAOYSA-N -1 3 285.318 3.336 20 0 CGADHM Cc1ccc(OCC(=O)Nc2ccccc2[O-])cc1C ZINC000006480420 170204380 /nfs/dbraw/zinc/20/43/80/170204380.db2.gz UJRSNHKBSLZUSF-UHFFFAOYSA-N -1 3 271.316 3.027 20 0 CGADHM O=C(Nc1ccc(F)c(Cl)c1)c1c([O-])cccc1O ZINC000125610595 287247626 /nfs/dbraw/zinc/24/76/26/287247626.db2.gz YWNWVBIVBMYXQV-UHFFFAOYSA-N -1 3 281.670 3.143 20 0 CGADHM CCN(Cc1ccccc1)C(=O)c1cc(C)ccc1[O-] ZINC000020298635 171138292 /nfs/dbraw/zinc/13/82/92/171138292.db2.gz WXKCHDXLEOSCLZ-UHFFFAOYSA-N -1 3 269.344 3.363 20 0 CGADHM [O-]c1ccc(-c2noc([C@H]3Cc4ccccc4O3)n2)cc1 ZINC000020432797 171197262 /nfs/dbraw/zinc/19/72/62/171197262.db2.gz QQPNHGPTLQVNOB-CQSZACIVSA-N -1 3 280.283 3.118 20 0 CGADHM O=C([O-])C[C@@H]1CCCCN1CCOc1ccccc1Cl ZINC000038028092 174016738 /nfs/dbraw/zinc/01/67/38/174016738.db2.gz UCXCVMILEQBCHC-LBPRGKRZSA-N -1 3 297.782 3.048 20 0 CGADHM [O-]c1ccc(CNCc2cccc(F)c2)cc1Cl ZINC000043477395 175055089 /nfs/dbraw/zinc/05/50/89/175055089.db2.gz OQWAIWMAUXOYGK-UHFFFAOYSA-N -1 3 265.715 3.475 20 0 CGADHM Cc1ccc([C@H](C)NC(=O)c2cccc([O-])c2)s1 ZINC000049186193 175467870 /nfs/dbraw/zinc/46/78/70/175467870.db2.gz LHBZOTFRSJQYCI-JTQLQIEISA-N -1 3 261.346 3.253 20 0 CGADHM O=C(C[C@H]1C=CCC1)Nc1cc(Cl)ccc1[O-] ZINC000070887156 176010080 /nfs/dbraw/zinc/01/00/80/176010080.db2.gz MMYZBIOGJACAPB-VIFPVBQESA-N -1 3 251.713 3.340 20 0 CGADHM CN(CC(=O)Nc1cc(Cl)ccc1[O-])c1ccccc1 ZINC000049449105 416471695 /nfs/dbraw/zinc/47/16/95/416471695.db2.gz BHFJCRVYFBKKMV-UHFFFAOYSA-N -1 3 290.750 3.121 20 0 CGADHM CC(C)CCN(C)Cc1ccc(C(=O)[O-])cc1F ZINC000062755851 416487131 /nfs/dbraw/zinc/48/71/31/416487131.db2.gz YVRUVBFTRZPZEL-UHFFFAOYSA-N -1 3 253.317 3.002 20 0 CGADHM CN(Cc1ccc(C(=O)[O-])cc1F)C1CCCCC1 ZINC000062750760 416487910 /nfs/dbraw/zinc/48/79/10/416487910.db2.gz AGPNWUVJOAXLFU-UHFFFAOYSA-N -1 3 265.328 3.288 20 0 CGADHM CC(C)N(CCC(=O)[O-])Cc1cc(F)ccc1Cl ZINC000124448465 416507106 /nfs/dbraw/zinc/50/71/06/416507106.db2.gz DBLHHRMYGACSEB-UHFFFAOYSA-N -1 3 273.735 3.164 20 0 CGADHM Cc1ccc(C(=O)N2CCc3c(F)cccc3C2)c([O-])c1C ZINC000129727461 287338135 /nfs/dbraw/zinc/33/81/35/287338135.db2.gz SUVOJCJKLXIHON-UHFFFAOYSA-N -1 3 299.345 3.347 20 0 CGADHM Cc1cccc(C(=O)N2CCc3c(F)cccc3C2)c1[O-] ZINC000129737082 287338142 /nfs/dbraw/zinc/33/81/42/287338142.db2.gz IXEREKIKXCZEKO-UHFFFAOYSA-N -1 3 285.318 3.038 20 0 CGADHM CC[C@@H](C)CCCCC(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000680189070 543689435 /nfs/dbraw/zinc/68/94/35/543689435.db2.gz FCNNLHRTLZPIGA-MRVPVSSYSA-N -1 3 292.305 3.369 20 0 CGADHM CC[C@@H](C)CCCCC(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000680189070 543689437 /nfs/dbraw/zinc/68/94/37/543689437.db2.gz FCNNLHRTLZPIGA-MRVPVSSYSA-N -1 3 292.305 3.369 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2ccc(OC(C)C)cc2)n1 ZINC000680321037 543696806 /nfs/dbraw/zinc/69/68/06/543696806.db2.gz GSYGRDUZWZPOSK-UHFFFAOYSA-N -1 3 286.331 3.135 20 0 CGADHM COc1ccc([O-])c(C(=O)NC2(C)CCC(F)(F)CC2)c1 ZINC000680046626 543679838 /nfs/dbraw/zinc/67/98/38/543679838.db2.gz KVFANBQPZYQHIU-UHFFFAOYSA-N -1 3 299.317 3.099 20 0 CGADHM Cc1cccc2c(=O)c(C(=O)N(C)[C@H](C)C3(C)CC3)c[n-]c12 ZINC000681526849 543793711 /nfs/dbraw/zinc/79/37/11/543793711.db2.gz BYBYWDIWSFZHOK-GFCCVEGCSA-N -1 3 298.386 3.097 20 0 CGADHM COc1nnc([N-]C(=O)c2cc3ccccc3s2)s1 ZINC000682679408 543858864 /nfs/dbraw/zinc/85/88/64/543858864.db2.gz YWNABXMRTPIIJJ-UHFFFAOYSA-N -1 3 291.357 3.014 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2cc(CO)c(C)cc2C)c1 ZINC000682582295 543853253 /nfs/dbraw/zinc/85/32/53/543853253.db2.gz OSVLEHQTJJUGFH-UHFFFAOYSA-N -1 3 285.343 3.062 20 0 CGADHM O=c1[n-]c(-c2ccc(Cl)o2)nc2ccc(Cl)cc12 ZINC000131448651 287380385 /nfs/dbraw/zinc/38/03/85/287380385.db2.gz ANWCRAKLRUXEQV-UHFFFAOYSA-N -1 3 281.098 3.490 20 0 CGADHM CCCC[C@@H](CC)C(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000684162629 543970420 /nfs/dbraw/zinc/97/04/20/543970420.db2.gz APUAEBJLIFKTRD-LLVKDONJSA-N -1 3 287.367 3.022 20 0 CGADHM CCCC[C@@H](CC)C(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000684162629 543970424 /nfs/dbraw/zinc/97/04/24/543970424.db2.gz APUAEBJLIFKTRD-LLVKDONJSA-N -1 3 287.367 3.022 20 0 CGADHM CCCC[C@@H](CC)C(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000684162629 543970426 /nfs/dbraw/zinc/97/04/26/543970426.db2.gz APUAEBJLIFKTRD-LLVKDONJSA-N -1 3 287.367 3.022 20 0 CGADHM Cc1cc2nc([N-]C(=O)c3nccs3)oc2c(C)c1 ZINC000683744487 543937531 /nfs/dbraw/zinc/93/75/31/543937531.db2.gz ALPZJEMIKJFAEH-UHFFFAOYSA-N -1 3 273.317 3.153 20 0 CGADHM C[C@@H]1COCCCN1Cc1cc([O-])cc(C(F)(F)F)c1 ZINC000685837746 544100261 /nfs/dbraw/zinc/10/02/61/544100261.db2.gz LXPHQKXYSZQJRG-SNVBAGLBSA-N -1 3 289.297 3.022 20 0 CGADHM C[C@@H](N[C@@H](C)c1ccccc1Cl)[C@H](C)C(=O)[O-] ZINC000148784194 287496310 /nfs/dbraw/zinc/49/63/10/287496310.db2.gz DJOHSFABKCWSTN-AEJSXWLSSA-N -1 3 255.745 3.100 20 0 CGADHM Cc1cccc2c1ncc(C)c2N1CC[C@](C)(C(=O)[O-])C1 ZINC000263400794 292617846 /nfs/dbraw/zinc/61/78/46/292617846.db2.gz IWJCBCVFSLAGBL-KRWDZBQOSA-N -1 3 284.359 3.153 20 0 CGADHM Cc1ccc(CN(CCC(=O)[O-])CC2CC2)c(Cl)c1 ZINC000652467317 418971209 /nfs/dbraw/zinc/97/12/09/418971209.db2.gz SYMJODMCDUPEAD-UHFFFAOYSA-N -1 3 281.783 3.335 20 0 CGADHM O=C([O-])c1ccoc1CN1CCC[C@@H](Cc2ccccc2)C1 ZINC000652410487 418963572 /nfs/dbraw/zinc/96/35/72/418963572.db2.gz RSQVEIKLKVQTEH-HNNXBMFYSA-N -1 3 299.370 3.433 20 0 CGADHM C[C@@H](C(=O)Nc1c([O-])cccc1Cl)N1[C@H](C)CC[C@@H]1C ZINC000655110636 419022561 /nfs/dbraw/zinc/02/25/61/419022561.db2.gz HSDATJOPCZEAKX-AXFHLTTASA-N -1 3 296.798 3.245 20 0 CGADHM O=C([O-])c1ccc(CN2CCCc3sccc3C2)cc1 ZINC000653365597 419027581 /nfs/dbraw/zinc/02/75/81/419027581.db2.gz HMFHMGADVMRFLS-UHFFFAOYSA-N -1 3 287.384 3.395 20 0 CGADHM O=C(NCC1(c2ccccc2F)CCC1)c1cccc([O-])c1 ZINC000652521666 418978179 /nfs/dbraw/zinc/97/81/79/418978179.db2.gz ZTPUNMNQOZXFNL-UHFFFAOYSA-N -1 3 299.345 3.383 20 0 CGADHM CC(C)c1ccc(C(=O)N2CCCC(F)(F)C2)c([O-])c1 ZINC000652745403 418988880 /nfs/dbraw/zinc/98/88/80/418988880.db2.gz SUANCGDUKBIQPL-UHFFFAOYSA-N -1 3 283.318 3.387 20 0 CGADHM CCc1oc(C(=O)[O-])cc1CN1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000659795778 418993070 /nfs/dbraw/zinc/99/30/70/418993070.db2.gz OJTLZKCAGJNDPX-OCCSQVGLSA-N -1 3 299.317 3.017 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CCC3(CC3(F)F)CC2)c1 ZINC000652844347 418994883 /nfs/dbraw/zinc/99/48/83/418994883.db2.gz CGHHXODELCISNL-UHFFFAOYSA-N -1 3 295.329 3.216 20 0 CGADHM c1cc(C2CCC2)ccc1-c1cncc(-c2nnn[n-]2)c1 ZINC000665137918 419063567 /nfs/dbraw/zinc/06/35/67/419063567.db2.gz NRFWSXWEMBHKBB-UHFFFAOYSA-N -1 3 277.331 3.196 20 0 CGADHM c1cc(C2CCC2)ccc1-c1cncc(-c2nn[n-]n2)c1 ZINC000665137918 419063569 /nfs/dbraw/zinc/06/35/69/419063569.db2.gz NRFWSXWEMBHKBB-UHFFFAOYSA-N -1 3 277.331 3.196 20 0 CGADHM Cc1cc(=O)[n-]c(C(C)(C)NCC/C=C\c2ccccc2)n1 ZINC000660750229 419190003 /nfs/dbraw/zinc/19/00/03/419190003.db2.gz ZLMBJEAZNVFBED-XFFZJAGNSA-N -1 3 297.402 3.419 20 0 CGADHM CC(C)(C)O[C@@H]1C[C@H]1c1nc(-c2ccc([O-])cc2)no1 ZINC000656745563 419207282 /nfs/dbraw/zinc/20/72/82/419207282.db2.gz BYBQQFOHVZHCOJ-VXGBXAGGSA-N -1 3 274.320 3.113 20 0 CGADHM Cc1oc(C(=O)[O-])cc1CN1CCC(c2ccco2)CC1 ZINC000656756895 419209357 /nfs/dbraw/zinc/20/93/57/419209357.db2.gz IVRLRWCHDPZBQM-UHFFFAOYSA-N -1 3 289.331 3.259 20 0 CGADHM CCC[C@H](C(=O)[O-])N1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000656766341 419212207 /nfs/dbraw/zinc/21/22/07/419212207.db2.gz OPHVWMLMNRCHSW-MRXNPFEDSA-N -1 3 286.375 3.088 20 0 CGADHM CC(C)(C)OCCCN1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@@H]21 ZINC000656767510 419213129 /nfs/dbraw/zinc/21/31/29/419213129.db2.gz RZEMSWIYQBYWIB-ILXRZTDVSA-N -1 3 297.439 3.157 20 0 CGADHM O=C([O-])[C@@H]1CCN(CC2=CCCC2)[C@H]2CCCC[C@@H]12 ZINC000656769079 419213929 /nfs/dbraw/zinc/21/39/29/419213929.db2.gz YBDUTWQYLZEFOU-ZNMIVQPWSA-N -1 3 263.381 3.062 20 0 CGADHM Cc1cnc(SCc2cc(=O)[n-]c(C3CC3)n2)c(C)c1 ZINC000657281606 419242109 /nfs/dbraw/zinc/24/21/09/419242109.db2.gz ZZLINTMYKHHYFX-UHFFFAOYSA-N -1 3 287.388 3.364 20 0 CGADHM C[C@H]1OCCN(Cc2cc([O-])cc(C(F)(F)F)c2)[C@H]1C ZINC000356128872 228133409 /nfs/dbraw/zinc/13/34/09/228133409.db2.gz ZCORTNATVGKYCF-VHSXEESVSA-N -1 3 289.297 3.020 20 0 CGADHM C[C@@H](O)[C@H](NCc1cccc([O-])c1Cl)c1ccccc1 ZINC000657815973 419364628 /nfs/dbraw/zinc/36/46/28/419364628.db2.gz IXBPEFZJOKHWJG-BZNIZROVSA-N -1 3 291.778 3.257 20 0 CGADHM CC(C)(C)[C@@H](CC(=O)[O-])NCc1ccc(F)c(F)c1F ZINC000663259814 419535294 /nfs/dbraw/zinc/53/52/94/419535294.db2.gz IXDTZOFSEDEJIX-SNVBAGLBSA-N -1 3 289.297 3.083 20 0 CGADHM CC12CC(C1)CN2Cc1ccc(C(=O)[O-])c(Cl)c1 ZINC000663315314 419553224 /nfs/dbraw/zinc/55/32/24/419553224.db2.gz GMVRYCHEVCDGEM-UHFFFAOYSA-N -1 3 265.740 3.023 20 0 CGADHM CC(C)(C)c1cc(NCc2ccc([O-])c(F)c2)ncn1 ZINC000663643708 419663590 /nfs/dbraw/zinc/66/35/90/419663590.db2.gz HAYUPMYTMOQSCF-UHFFFAOYSA-N -1 3 275.327 3.231 20 0 CGADHM C[C@@H]1CCN(C(=O)c2cc3c(cc2[O-])CCCC3)[C@H]1C ZINC000436575024 287565666 /nfs/dbraw/zinc/56/56/66/287565666.db2.gz LUYNPWOONGZZRL-NEPJUHHUSA-N -1 3 273.376 3.142 20 0 CGADHM COc1ccsc1C(=O)[N-]c1ccc(O)cc1SC ZINC000191189276 287589174 /nfs/dbraw/zinc/58/91/74/287589174.db2.gz WSPZUPZVJIZDIN-UHFFFAOYSA-N -1 3 295.385 3.437 20 0 CGADHM Cc1cc(S(=O)(=O)[N-][C@H]2CC[C@H](C)C2)sc1Cl ZINC000231808095 260227927 /nfs/dbraw/zinc/22/79/27/260227927.db2.gz VXJMJZHODZKIGD-CBAPKCEASA-N -1 3 293.841 3.177 20 0 CGADHM CCc1cc(C(=O)NCc2ccc(OC)cc2C)ccc1[O-] ZINC000520928582 260378924 /nfs/dbraw/zinc/37/89/24/260378924.db2.gz UUYYVZVIANDZPM-UHFFFAOYSA-N -1 3 299.370 3.202 20 0 CGADHM CCN1C(=O)c2ccccc2N[C@@H]1c1cc([O-])cc(F)c1 ZINC000184596555 263215068 /nfs/dbraw/zinc/21/50/68/263215068.db2.gz WFRDOVWXJKIVTA-HNNXBMFYSA-N -1 3 286.306 3.118 20 0 CGADHM Cc1cccc(C(=O)N[C@@H](C)CCc2ccco2)c1[O-] ZINC000042306543 270031931 /nfs/dbraw/zinc/03/19/31/270031931.db2.gz QSPUTXBUKOKBPL-LBPRGKRZSA-N -1 3 273.332 3.045 20 0 CGADHM CC(C)c1ccc(CNC(=O)c2ccccc2[O-])cc1 ZINC000044316392 270035541 /nfs/dbraw/zinc/03/55/41/270035541.db2.gz ABMCNHNALDDLSK-UHFFFAOYSA-N -1 3 269.344 3.446 20 0 CGADHM CC[C@@H](NC(=O)c1ccc(C)cc1[O-])c1nc(C)cs1 ZINC000105381545 270047453 /nfs/dbraw/zinc/04/74/53/270047453.db2.gz XLNUXGRBRWWLED-GFCCVEGCSA-N -1 3 290.388 3.347 20 0 CGADHM O=C(c1ccccc1[O-])N1Cc2ccccc2C2(CC2)C1 ZINC000184602572 270059158 /nfs/dbraw/zinc/05/91/58/270059158.db2.gz FDZRWYWROLTZPT-UHFFFAOYSA-N -1 3 279.339 3.080 20 0 CGADHM CCC(CC)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000096698560 265379540 /nfs/dbraw/zinc/37/95/40/265379540.db2.gz SXGAHIXSNDRHJP-UHFFFAOYSA-N -1 3 281.830 3.116 20 0 CGADHM C[S@](=O)Cc1ccccc1NCc1cc([O-])cc(F)c1 ZINC000185628330 270063611 /nfs/dbraw/zinc/06/36/11/270063611.db2.gz FLHUNEGVMMLXEY-FQEVSTJZSA-N -1 3 293.363 3.022 20 0 CGADHM CC[C@@H](NCc1cc([O-])cc(F)c1)c1c(C)noc1C ZINC000185609556 270063699 /nfs/dbraw/zinc/06/36/99/270063699.db2.gz WMCUTJNYARNECS-CQSZACIVSA-N -1 3 278.327 3.377 20 0 CGADHM CCc1nnc([N-]C(=O)c2csc(Cl)c2)s1 ZINC000191797317 270076183 /nfs/dbraw/zinc/07/61/83/270076183.db2.gz LPKCGHUZIRKLDI-UHFFFAOYSA-N -1 3 273.770 3.068 20 0 CGADHM COc1ccc([O-])c(C(=O)N[C@@H]2CC[C@H]3CCC[C@@H]3C2)c1 ZINC000525258349 270118377 /nfs/dbraw/zinc/11/83/77/270118377.db2.gz WPDUUBXTLSESPG-JHJVBQTASA-N -1 3 289.375 3.099 20 0 CGADHM C[C@@H](CN(C)c1cc(Cl)c(=O)[n-]n1)C1CCCCC1 ZINC000528213180 270158047 /nfs/dbraw/zinc/15/80/47/270158047.db2.gz DHGVGZXSOHHEGD-JTQLQIEISA-N -1 3 283.803 3.488 20 0 CGADHM Cc1ccc(-c2nc([C@H]3CC[C@H](C)O3)no2)c([O-])c1C ZINC000528233829 270158994 /nfs/dbraw/zinc/15/89/94/270158994.db2.gz GQXFAHSRCVKBSZ-JOYOIKCWSA-N -1 3 274.320 3.299 20 0 CGADHM CN(Cc1nc(=O)c2sccc2[n-]1)CC1CC(C)(C)C1 ZINC000528450542 270165761 /nfs/dbraw/zinc/16/57/61/270165761.db2.gz GWCGWUSMMWVRKS-UHFFFAOYSA-N -1 3 291.420 3.265 20 0 CGADHM CC1(C)CCC[C@H]1CCNC(=O)Cc1ccc([O-])c(F)c1 ZINC000529563353 270184659 /nfs/dbraw/zinc/18/46/59/270184659.db2.gz IAMYIEIKGSFVCU-ZDUSSCGKSA-N -1 3 293.382 3.406 20 0 CGADHM [O-]c1ccc(F)c(CNC[C@@H]2CC[C@H]3C[C@H]3C2)c1F ZINC000529638630 270186715 /nfs/dbraw/zinc/18/67/15/270186715.db2.gz MMUJEOUMPGIORT-OUAUKWLOSA-N -1 3 267.319 3.196 20 0 CGADHM CC(C)CCCN1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC000530167988 270195278 /nfs/dbraw/zinc/19/52/78/270195278.db2.gz HIJBTLUXODVUDE-UHFFFAOYSA-N -1 3 279.355 3.318 20 0 CGADHM Cc1ccccc1CCCN1CCc2occc2[C@@H]1C(=O)[O-] ZINC000530165275 270195293 /nfs/dbraw/zinc/19/52/93/270195293.db2.gz FIKLCRPDCIRHST-QGZVFWFLSA-N -1 3 299.370 3.205 20 0 CGADHM CC1(CN2CCc3c(F)ccc(C(=O)[O-])c3C2)CCC1 ZINC000530168592 270195328 /nfs/dbraw/zinc/19/53/28/270195328.db2.gz KLGDGFBYJANTHN-UHFFFAOYSA-N -1 3 277.339 3.072 20 0 CGADHM Cc1ccc(C(=O)N[C@@H](C)c2ncccc2F)c([O-])c1C ZINC000530234243 270196940 /nfs/dbraw/zinc/19/69/40/270196940.db2.gz YOWBJOXUHIXUSG-NSHDSACASA-N -1 3 288.322 3.034 20 0 CGADHM CC[C@H](C)C(=O)N=c1[nH][n-]c(C)c1-c1ccc(C)cc1 ZINC000530271484 270198193 /nfs/dbraw/zinc/19/81/93/270198193.db2.gz IHGFWNMLQOGRHF-NSHDSACASA-N -1 3 271.364 3.100 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)[C@]23C[C@H]2CCC3)c1-c1ccc(C)cc1 ZINC000530272588 270198220 /nfs/dbraw/zinc/19/82/20/270198220.db2.gz GPXRRABUKQRMBM-RDTXWAMCSA-N -1 3 295.386 3.244 20 0 CGADHM CC[C@@H]1C[C@H]1C(=O)N=c1[nH][n-]c(C)c1-c1ccc(C)cc1 ZINC000530275484 270198271 /nfs/dbraw/zinc/19/82/71/270198271.db2.gz UORYISBQDMRXKH-TZMCWYRMSA-N -1 3 283.375 3.100 20 0 CGADHM CC(C)SCC(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000530876567 270203228 /nfs/dbraw/zinc/20/32/28/270203228.db2.gz WLICYVODJLBACD-UHFFFAOYSA-N -1 3 293.310 3.491 20 0 CGADHM CCC[C@@H]1[C@H](C)CCCN1C(=O)c1ccccc1[O-] ZINC000436572891 276279029 /nfs/dbraw/zinc/27/90/29/276279029.db2.gz IALFXALTHHVLGI-TZMCWYRMSA-N -1 3 261.365 3.433 20 0 CGADHM COCc1ncc(C(=O)[N-]c2ncsc2C(C)C)s1 ZINC000289070887 277272572 /nfs/dbraw/zinc/27/25/72/277272572.db2.gz GXGPXUDWEXQFAP-UHFFFAOYSA-N -1 3 297.405 3.122 20 0 CGADHM CC(C)c1ccc(C(=O)N2CCC[C@](C)(F)C2)c([O-])c1 ZINC000452197381 278024213 /nfs/dbraw/zinc/02/42/13/278024213.db2.gz SMAUNFNTMNBDRC-INIZCTEOSA-N -1 3 279.355 3.480 20 0 CGADHM C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)c1cccc([O-])c1 ZINC000357348565 278042380 /nfs/dbraw/zinc/04/23/80/278042380.db2.gz CWQHXQNAIXFVNO-BDJLRTHQSA-N -1 3 267.328 3.056 20 0 CGADHM Cc1ccc(C(=O)NC[C@@H](C)CC(F)(F)F)c([O-])c1 ZINC000397058699 288020784 /nfs/dbraw/zinc/02/07/84/288020784.db2.gz ZYHNWBYNMXZVJY-VIFPVBQESA-N -1 3 275.270 3.019 20 0 CGADHM C[C@H]1CCN(C(=O)[C@H]2CCCSC2)c2c([O-])cccc21 ZINC000336100572 278361325 /nfs/dbraw/zinc/36/13/25/278361325.db2.gz ZNMLMYPFBXOVCN-RYUDHWBXSA-N -1 3 291.416 3.376 20 0 CGADHM C[C@H]1CN(C(=O)c2cccc([O-])c2)[C@H]2CCCC[C@H]12 ZINC000180516854 278416383 /nfs/dbraw/zinc/41/63/83/278416383.db2.gz DTCQPGLQJRQMKY-GLQYFDAESA-N -1 3 259.349 3.043 20 0 CGADHM C[C@@H](C1CC1)N(C)Cc1cccc([O-])c1Br ZINC000459304180 288084019 /nfs/dbraw/zinc/08/40/19/288084019.db2.gz NHTLXKWSBJLQDV-VIFPVBQESA-N -1 3 284.197 3.385 20 0 CGADHM Cc1ccccc1[C@@H]1CCN(C(=O)c2ccc(O)cc2[O-])C1 ZINC000299676312 292656084 /nfs/dbraw/zinc/65/60/84/292656084.db2.gz OEDZSCQZUQFMFS-CYBMUJFWSA-N -1 3 297.354 3.036 20 0 CGADHM C[C@H]1CCc2onc(C(=O)[N-]c3cccc(F)c3F)c2C1 ZINC000335889211 279776695 /nfs/dbraw/zinc/77/66/95/279776695.db2.gz DHRKDZMJKNKUOM-QMMMGPOBSA-N -1 3 292.285 3.330 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000448604303 279798595 /nfs/dbraw/zinc/79/85/95/279798595.db2.gz CRCHUYKXCUSZPP-ZFWWWQNUSA-N -1 3 291.366 3.255 20 0 CGADHM C[C@@H](NC(=O)c1csc(=O)[n-]1)[C@H](C)C1CCCCC1 ZINC000527457703 288169138 /nfs/dbraw/zinc/16/91/38/288169138.db2.gz BFODCGTVRFVPHD-VHSXEESVSA-N -1 3 282.409 3.183 20 0 CGADHM CC[C@@H]1CC[C@@H](C)N1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000271759203 280322385 /nfs/dbraw/zinc/32/23/85/280322385.db2.gz GMHDRERBBPUJDF-VXGBXAGGSA-N -1 3 284.359 3.344 20 0 CGADHM O=C([N-]OC1CCCC1)[C@H]1[C@@H]2c3cccc(Cl)c3C[C@H]12 ZINC000528965832 288225443 /nfs/dbraw/zinc/22/54/43/288225443.db2.gz OZLAJUITKDXOMS-NWANDNLSSA-N -1 3 291.778 3.216 20 0 CGADHM Cc1ccc2c(CN3CCO[C@@H]4CCC[C@H]43)ccc([O-])c2n1 ZINC000338236749 281045865 /nfs/dbraw/zinc/04/58/65/281045865.db2.gz RAHDRHXIHRFMEH-NVXWUHKLSA-N -1 3 298.386 3.002 20 0 CGADHM C[C@H]1CC(C(=O)[O-])C[C@H](C)N1Cc1cccc(Cl)c1 ZINC000530177025 288294718 /nfs/dbraw/zinc/29/47/18/288294718.db2.gz WCOIPMJYGWGIGY-QWRGUYRKSA-N -1 3 281.783 3.414 20 0 CGADHM Cc1ccc(F)c(CN2[C@H](C)C[C@@H](C(=O)[O-])C[C@@H]2C)c1 ZINC000530177056 288294865 /nfs/dbraw/zinc/29/48/65/288294865.db2.gz WPWXWCOQAUVHER-CLLJXQQHSA-N -1 3 279.355 3.208 20 0 CGADHM CC1(C)C[C@H](CN=c2[n-]c(C(F)(F)F)cs2)CCO1 ZINC000413340524 281334641 /nfs/dbraw/zinc/33/46/41/281334641.db2.gz RURMDUHJKRYYEP-MRVPVSSYSA-N -1 3 294.342 3.201 20 0 CGADHM Cc1cccnc1/C=C/c1nc(-c2ccc([O-])cc2)no1 ZINC000436908128 281406779 /nfs/dbraw/zinc/40/67/79/281406779.db2.gz HONHMIJILBNXMM-CMDGGOBGSA-N -1 3 279.299 3.316 20 0 CGADHM CCc1ccc([O-])c(C(=O)N(CC2CC2)C(C)C)c1 ZINC000536692629 288497428 /nfs/dbraw/zinc/49/74/28/288497428.db2.gz IJBIUKFEGYMBPN-UHFFFAOYSA-N -1 3 261.365 3.215 20 0 CGADHM Cc1ccc(-c2nc(CC3CCC3)no2)c([O-])c1C ZINC000552044317 289153766 /nfs/dbraw/zinc/15/37/66/289153766.db2.gz ADUWOOFYNQIYMS-UHFFFAOYSA-N -1 3 258.321 3.402 20 0 CGADHM O=C(Cc1coc2ccccc12)Nc1cccc([O-])c1F ZINC000552140795 289167875 /nfs/dbraw/zinc/16/78/75/289167875.db2.gz YMFVBRQXQWJAPT-UHFFFAOYSA-N -1 3 285.274 3.459 20 0 CGADHM CC(=O)c1cccc(NC(=O)C2CCCCC2)c1[O-] ZINC000552285756 289178999 /nfs/dbraw/zinc/17/89/99/289178999.db2.gz CAGNTYYNVWWSPF-UHFFFAOYSA-N -1 3 261.321 3.114 20 0 CGADHM CCc1cc(C(=O)NCc2ccc(C)cc2)ccc1[O-] ZINC000553176440 289211593 /nfs/dbraw/zinc/21/15/93/289211593.db2.gz CCBLVCVSBRLQMF-UHFFFAOYSA-N -1 3 269.344 3.193 20 0 CGADHM CCc1cc(C(=O)NCC2CCCCC2)ccc1[O-] ZINC000553190208 289212202 /nfs/dbraw/zinc/21/22/02/289212202.db2.gz GXDLTCKDYZGGIL-UHFFFAOYSA-N -1 3 261.365 3.265 20 0 CGADHM CCc1cccc(C(=O)N(C)Cc2occc2C)c1[O-] ZINC000553944278 289246218 /nfs/dbraw/zinc/24/62/18/289246218.db2.gz ABBYFARJTDXSPL-UHFFFAOYSA-N -1 3 273.332 3.128 20 0 CGADHM CCCn1nc(C)c(C=Cc2cc(=O)[n-]c(C3CC3)n2)c1C ZINC000558453395 289496893 /nfs/dbraw/zinc/49/68/93/289496893.db2.gz KMXKREMISSHLPI-BQYQJAHWSA-N -1 3 298.390 3.453 20 0 CGADHM C(=Cc1ccccc1)c1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000558891950 289525890 /nfs/dbraw/zinc/52/58/90/289525890.db2.gz MNWHFXQHEJCCDT-RMKNXTFCSA-N -1 3 289.298 3.178 20 0 CGADHM CCc1cnc(CSCc2cc(=O)[n-]c(C3CC3)n2)o1 ZINC000562824910 289737318 /nfs/dbraw/zinc/73/73/18/289737318.db2.gz CSVYWAHFZNJHCA-UHFFFAOYSA-N -1 3 291.376 3.043 20 0 CGADHM Cc1nc(-c2nc(-c3ccc([O-])cc3)no2)c(C)s1 ZINC000436870050 293146747 /nfs/dbraw/zinc/14/67/47/293146747.db2.gz MXYMIBDOYPPAHC-UHFFFAOYSA-N -1 3 273.317 3.183 20 0 CGADHM Cc1sccc1C(=O)N1CCCc2cccc([O-])c21 ZINC000296905831 294094939 /nfs/dbraw/zinc/09/49/39/294094939.db2.gz ZMDONFQJLXGIOL-UHFFFAOYSA-N -1 3 273.357 3.355 20 0 CGADHM COc1cccc(C(=O)N2[C@@H](C)C[C@H]3CCCC[C@@H]32)c1[O-] ZINC000173050925 295287744 /nfs/dbraw/zinc/28/77/44/295287744.db2.gz POCYXZIPRYUUKA-SCRDCRAPSA-N -1 3 289.375 3.194 20 0 CGADHM C[C@H]1CC[C@H](C)N1C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436590340 300062718 /nfs/dbraw/zinc/06/27/18/300062718.db2.gz SQNAXGXXUYBKLG-RYUDHWBXSA-N -1 3 273.376 3.284 20 0 CGADHM Cc1cc(CN2CC[C@H](C)C(C)(C)C2)oc1C(=O)[O-] ZINC000516777959 301275216 /nfs/dbraw/zinc/27/52/16/301275216.db2.gz YHKFVVOKSBFFFO-NSHDSACASA-N -1 3 265.353 3.154 20 0 CGADHM Cc1cc(F)c(CN[C@@H](C)[C@@H](C(=O)[O-])C(C)C)c(F)c1 ZINC000424622582 301295527 /nfs/dbraw/zinc/29/55/27/301295527.db2.gz OWWISEJKNXCLAV-HZMBPMFUSA-N -1 3 285.334 3.108 20 0 CGADHM Cc1cccc(C(=O)N2C[C@H](C)C[C@@H](C)[C@@H]2C)c1[O-] ZINC000166844705 301953885 /nfs/dbraw/zinc/95/38/85/301953885.db2.gz VOUFINHHPCTTEC-RTXFEEFZSA-N -1 3 261.365 3.207 20 0 CGADHM Cc1cccc(C)c1C(=O)NCc1ccc([O-])c(F)c1 ZINC000156282473 321777916 /nfs/dbraw/zinc/77/79/16/321777916.db2.gz NFOJYSOUVFPUPJ-UHFFFAOYSA-N -1 3 273.307 3.078 20 0 CGADHM CSc1nnc(NC(=O)c2ccc(C3CCC3)cc2)[n-]1 ZINC000563526253 322001629 /nfs/dbraw/zinc/00/16/29/322001629.db2.gz JUIKSQHMIDARET-UHFFFAOYSA-N -1 3 288.376 3.046 20 0 CGADHM CSc1n[n-]c(NC(=O)c2ccc(C3CCC3)cc2)n1 ZINC000563526253 322001631 /nfs/dbraw/zinc/00/16/31/322001631.db2.gz JUIKSQHMIDARET-UHFFFAOYSA-N -1 3 288.376 3.046 20 0 CGADHM CSc1nc(NC(=O)c2ccc(C3CCC3)cc2)n[n-]1 ZINC000563526253 322001632 /nfs/dbraw/zinc/00/16/32/322001632.db2.gz JUIKSQHMIDARET-UHFFFAOYSA-N -1 3 288.376 3.046 20 0 CGADHM [O-]c1cccnc1CN1CCC=C(c2ccccc2)C1 ZINC000564757289 322041685 /nfs/dbraw/zinc/04/16/85/322041685.db2.gz DNEHKMBIOPGKSE-UHFFFAOYSA-N -1 3 266.344 3.077 20 0 CGADHM Cc1cc2ncn(Cc3cc(=O)[n-]c(C4CC4)n3)c2cc1C ZINC000565703137 322087680 /nfs/dbraw/zinc/08/76/80/322087680.db2.gz JEHVNMUOPVDZRV-UHFFFAOYSA-N -1 3 294.358 3.074 20 0 CGADHM CC(C)CC[C@H]1CCC[C@@H]1NC(=O)Cc1cncc([O-])c1 ZINC000565905043 322096661 /nfs/dbraw/zinc/09/66/61/322096661.db2.gz QTTAJVDTYCLMCB-ZBFHGGJFSA-N -1 3 290.407 3.051 20 0 CGADHM Cc1oc(CN(C)CCCCC(F)(F)F)cc1C(=O)[O-] ZINC000566361020 322118684 /nfs/dbraw/zinc/11/86/84/322118684.db2.gz DSXCQBJKTNHMIS-UHFFFAOYSA-N -1 3 293.285 3.451 20 0 CGADHM CCc1ccc(NC(=O)Cc2cncc([O-])c2)cc1CC ZINC000566470364 322124614 /nfs/dbraw/zinc/12/46/14/322124614.db2.gz MSUCIAZONYHBEC-UHFFFAOYSA-N -1 3 284.359 3.093 20 0 CGADHM C[C@@H](CN(C)Cc1csc(C(=O)[O-])c1)c1nccs1 ZINC000566683329 322134629 /nfs/dbraw/zinc/13/46/29/322134629.db2.gz AAIQBIUAOWVMLY-VIFPVBQESA-N -1 3 296.417 3.138 20 0 CGADHM CCc1cccc(-c2nc([C@H]3CCOC[C@H]3C)no2)c1[O-] ZINC000567111677 322150552 /nfs/dbraw/zinc/15/05/52/322150552.db2.gz BUYYUTGGYXQGHN-PWSUYJOCSA-N -1 3 288.347 3.145 20 0 CGADHM COc1ccc([C@@H](C)N(C)Cc2ccoc2C(=O)[O-])cc1 ZINC000568059595 322190430 /nfs/dbraw/zinc/19/04/30/322190430.db2.gz FXRCWLYDKURWKB-LLVKDONJSA-N -1 3 289.331 3.179 20 0 CGADHM Cc1cncc(CN(Cc2ccccc2)C[C@H](C)C(=O)[O-])c1 ZINC000568067527 322191765 /nfs/dbraw/zinc/19/17/65/322191765.db2.gz XYPOCQXLYXEMAA-HNNXBMFYSA-N -1 3 298.386 3.113 20 0 CGADHM COc1cccc(Cl)c1CN([C@@H](C)C(=O)[O-])C1CCC1 ZINC000568292791 322204249 /nfs/dbraw/zinc/20/42/49/322204249.db2.gz WILXHUOMADCLGK-JTQLQIEISA-N -1 3 297.782 3.176 20 0 CGADHM CCC[C@@H](C)[C@@H]1CCCN1Cc1nc(C(=O)[O-])cs1 ZINC000569250606 322241089 /nfs/dbraw/zinc/24/10/89/322241089.db2.gz AZRVRGISLKXWKQ-PWSUYJOCSA-N -1 3 282.409 3.242 20 0 CGADHM CCC[C@@H](C)S(=O)(=O)[N-]c1ccc(C)cc1OCC ZINC000569345217 322244077 /nfs/dbraw/zinc/24/40/77/322244077.db2.gz KJNOEWRAJYBDJF-GFCCVEGCSA-N -1 3 285.409 3.324 20 0 CGADHM CCC[C@@H](C)CC(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000571196993 322292645 /nfs/dbraw/zinc/29/26/45/322292645.db2.gz XBKQFXMIOXBAKE-SNVBAGLBSA-N -1 3 263.337 3.360 20 0 CGADHM CC(C)(C)CCCNC(=O)Cc1ccc([O-])c(F)c1 ZINC000571510895 322300468 /nfs/dbraw/zinc/30/04/68/322300468.db2.gz GRGUNDRWQMVVMS-UHFFFAOYSA-N -1 3 267.344 3.016 20 0 CGADHM CCCO[C@@H]1CCCN(Cc2ccc(C(=O)[O-])s2)CC1 ZINC000571810479 322308421 /nfs/dbraw/zinc/30/84/21/322308421.db2.gz DAFBGGFYKFJAMO-GFCCVEGCSA-N -1 3 297.420 3.227 20 0 CGADHM CCSCC[C@@H](C)N(C)Cc1ccc(C(=O)[O-])cc1F ZINC000572295798 322330116 /nfs/dbraw/zinc/33/01/16/322330116.db2.gz ASZIAPMEDCVHLV-LLVKDONJSA-N -1 3 299.411 3.487 20 0 CGADHM C[C@@H]1CC[C@@H](C)N1Cc1cccc(C(=O)[O-])c1Cl ZINC000572414987 322336283 /nfs/dbraw/zinc/33/62/83/322336283.db2.gz QWLGJIUYTOYEPY-NXEZZACHSA-N -1 3 267.756 3.411 20 0 CGADHM CC(=O)c1cccc(NC(=O)C(C)(C)C(C)(F)F)c1[O-] ZINC000572526623 322341883 /nfs/dbraw/zinc/34/18/83/322341883.db2.gz ICDYHVMQUYSPTM-UHFFFAOYSA-N -1 3 285.290 3.215 20 0 CGADHM O=C(N[C@@H]1CCCCC12CCCC2)c1cccc2nn[n-]c21 ZINC000572792105 322355338 /nfs/dbraw/zinc/35/53/38/322355338.db2.gz AHEWAYKCJRKVED-CQSZACIVSA-N -1 3 298.390 3.191 20 0 CGADHM O=C(N[C@@H]1CCCCC12CCCC2)c1cccc2[n-]nnc21 ZINC000572792105 322355340 /nfs/dbraw/zinc/35/53/40/322355340.db2.gz AHEWAYKCJRKVED-CQSZACIVSA-N -1 3 298.390 3.191 20 0 CGADHM O=C(N[C@@H]1CCCCC12CCCC2)c1cccc2n[n-]nc21 ZINC000572792105 322355344 /nfs/dbraw/zinc/35/53/44/322355344.db2.gz AHEWAYKCJRKVED-CQSZACIVSA-N -1 3 298.390 3.191 20 0 CGADHM C[C@@H](NC(=O)Cc1cncc([O-])c1)[C@@H](C)C1CCCCC1 ZINC000574219819 322430328 /nfs/dbraw/zinc/43/03/28/322430328.db2.gz UGZJJYFMFXDDRE-CHWSQXEVSA-N -1 3 290.407 3.051 20 0 CGADHM CCO[C@H](CC)C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000576360671 327029818 /nfs/dbraw/zinc/02/98/18/327029818.db2.gz GSRZLZUZYRFXHG-CQSZACIVSA-N -1 3 279.380 3.443 20 0 CGADHM [O-]c1cccnc1CN1CCC[C@H]1c1ccc(F)cc1F ZINC000582527383 329107289 /nfs/dbraw/zinc/10/72/89/329107289.db2.gz XRSPJEAPGYLTRW-HNNXBMFYSA-N -1 3 290.313 3.403 20 0 CGADHM C[C@@H]1CCCN1[C@@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000583029684 329304781 /nfs/dbraw/zinc/30/47/81/329304781.db2.gz AOTRPTBIRFKXAF-PRHODGIISA-N -1 3 271.719 3.089 20 0 CGADHM COc1ccc(NC(=O)CC2(C)CCCC2)c([O-])c1 ZINC000583232549 329385287 /nfs/dbraw/zinc/38/52/87/329385287.db2.gz XJXWTSOAPONOIQ-UHFFFAOYSA-N -1 3 263.337 3.310 20 0 CGADHM CCOC[C@H]1CCCN([C@H](C)c2cc(C(=O)[O-])c(C)o2)C1 ZINC000580440933 330135845 /nfs/dbraw/zinc/13/58/45/330135845.db2.gz WUHBQAVUAJRYDQ-YPMHNXCESA-N -1 3 295.379 3.096 20 0 CGADHM CCCCC(=O)Nc1cc(Br)ccc1[O-] ZINC000176440209 335278674 /nfs/dbraw/zinc/27/86/74/335278674.db2.gz YSJGHHAIKSJQJR-UHFFFAOYSA-N -1 3 272.142 3.283 20 0 CGADHM Cc1cc(N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)c2ccccc2n1 ZINC000577062989 335293739 /nfs/dbraw/zinc/29/37/39/335293739.db2.gz UTCYOOLCPPIJLE-RISCZKNCSA-N -1 3 284.359 3.090 20 0 CGADHM O=C(Nc1cccc(OC(F)F)c1)c1cccc([O-])c1 ZINC000192723290 335295197 /nfs/dbraw/zinc/29/51/97/335295197.db2.gz RXASZMWXQBYNRA-UHFFFAOYSA-N -1 3 279.242 3.246 20 0 CGADHM Cc1ccc([O-])c(CNCC(F)(F)c2ccc(F)cc2)n1 ZINC000577389230 335346938 /nfs/dbraw/zinc/34/69/38/335346938.db2.gz UKHFYNKNQDQLPU-UHFFFAOYSA-N -1 3 296.292 3.116 20 0 CGADHM CC(=O)[C@@H]1C[C@H](c2nc(-c3ccc([O-])cc3)no2)C1(C)C ZINC000577660691 335386983 /nfs/dbraw/zinc/38/69/83/335386983.db2.gz HBAJNJRIJGQXRK-QWHCGFSZSA-N -1 3 286.331 3.161 20 0 CGADHM CCC[C@@H](CC)S(=O)(=O)[N-]c1cc(OC)ccc1F ZINC000577854298 335411930 /nfs/dbraw/zinc/41/19/30/335411930.db2.gz IVVVKHZJXDFTBX-LLVKDONJSA-N -1 3 289.372 3.155 20 0 CGADHM CC(C)=CCC[C@@H](C)NC(=O)N=c1cc2ccccn2[n-]1 ZINC000579678636 335854660 /nfs/dbraw/zinc/85/46/60/335854660.db2.gz CATYAVITHMISFC-CYBMUJFWSA-N -1 3 286.379 3.013 20 0 CGADHM Cc1cccc([O-])c1NC(=O)c1ccn(C2CCCC2)n1 ZINC000183051242 335858861 /nfs/dbraw/zinc/85/88/61/335858861.db2.gz KEEFXOOWZJDOOR-UHFFFAOYSA-N -1 3 285.347 3.265 20 0 CGADHM [O-]c1ccc(Br)c(CN2CCC[C@H](F)C2)c1 ZINC000579967454 335939739 /nfs/dbraw/zinc/93/97/39/335939739.db2.gz KISNDVGHMHQOIS-JTQLQIEISA-N -1 3 288.160 3.089 20 0 CGADHM Cc1cc([C@@H]2CCCN2CCC(C)(C)CC(=O)[O-])on1 ZINC000581196109 336022984 /nfs/dbraw/zinc/02/29/84/336022984.db2.gz JZLMYUWILSTRRQ-LBPRGKRZSA-N -1 3 280.368 3.011 20 0 CGADHM Cc1cccnc1CN(Cc1ccccc1)C[C@H](C)C(=O)[O-] ZINC000581255476 336032812 /nfs/dbraw/zinc/03/28/12/336032812.db2.gz AIGSNVGCUSFDFA-HNNXBMFYSA-N -1 3 298.386 3.113 20 0 CGADHM CCCC[C@H](C)C(=O)N1CCCc2cccc([O-])c21 ZINC000381860409 336074756 /nfs/dbraw/zinc/07/47/56/336074756.db2.gz UXPBIWUHLFDPRS-LBPRGKRZSA-N -1 3 261.365 3.498 20 0 CGADHM Cc1noc(C)c1-c1noc(-c2ccc(C)c(C)c2[O-])n1 ZINC000581985308 336184920 /nfs/dbraw/zinc/18/49/20/336184920.db2.gz CBQGUVJNZBURPR-UHFFFAOYSA-N -1 3 285.303 3.331 20 0 CGADHM CC(C)CC(=O)Nc1ccc(Br)cc1[O-] ZINC000075664728 572879002 /nfs/dbraw/zinc/87/90/02/572879002.db2.gz NWYAEGGTHFHTSF-UHFFFAOYSA-N -1 3 272.142 3.139 20 0 CGADHM CS[C@@H]1CCC[C@@H](NC(=O)c2ccc(C)c(C)c2[O-])C1 ZINC000436543338 533949938 /nfs/dbraw/zinc/94/99/38/533949938.db2.gz DXOCVUJBSDWRQR-CHWSQXEVSA-N -1 3 293.432 3.413 20 0 CGADHM COc1ccccc1/C=C\CN[C@H](C(=O)[O-])c1ccccc1 ZINC000426765403 533958591 /nfs/dbraw/zinc/95/85/91/533958591.db2.gz NPZVOCLRACVBTG-GJBHZFNWSA-N -1 3 297.354 3.124 20 0 CGADHM COc1cc(F)c(F)cc1NC(=O)c1ccc(C)cc1[O-] ZINC000436698179 533972413 /nfs/dbraw/zinc/97/24/13/533972413.db2.gz OVMXPUKDDVTTHD-UHFFFAOYSA-N -1 3 293.269 3.240 20 0 CGADHM CS[C@H](C)CCc1nc(-c2ccc([O-])cc2)no1 ZINC000436784304 534043638 /nfs/dbraw/zinc/04/36/38/534043638.db2.gz PIOSYFBXPQEWJE-SECBINFHSA-N -1 3 264.350 3.126 20 0 CGADHM Cc1ccc(-c2nnc(NC(=O)[C@@H]3CCCC[C@@H]3C)[n-]2)o1 ZINC000425201777 534199645 /nfs/dbraw/zinc/19/96/45/534199645.db2.gz OHMNDKGYGZNRPS-GXSJLCMTSA-N -1 3 288.351 3.138 20 0 CGADHM Cc1ccc(-c2n[n-]c(NC(=O)[C@@H]3CCCC[C@@H]3C)n2)o1 ZINC000425201777 534199649 /nfs/dbraw/zinc/19/96/49/534199649.db2.gz OHMNDKGYGZNRPS-GXSJLCMTSA-N -1 3 288.351 3.138 20 0 CGADHM Cc1ccc(-c2nc(NC(=O)[C@@H]3CCCC[C@@H]3C)n[n-]2)o1 ZINC000425201777 534199656 /nfs/dbraw/zinc/19/96/56/534199656.db2.gz OHMNDKGYGZNRPS-GXSJLCMTSA-N -1 3 288.351 3.138 20 0 CGADHM COC(=O)c1ccc(NC(=O)c2ccc([O-])c(C)c2)cc1C ZINC000436935520 534222167 /nfs/dbraw/zinc/22/21/67/534222167.db2.gz CRVREIXPLRIYLI-UHFFFAOYSA-N -1 3 299.326 3.048 20 0 CGADHM Cc1ccc(C(=O)NC2CC(C(F)(F)F)C2)c([O-])c1C ZINC000436739837 534263310 /nfs/dbraw/zinc/26/33/10/534263310.db2.gz OZAZHSDDWYCGJX-UHFFFAOYSA-N -1 3 287.281 3.080 20 0 CGADHM [O-]c1cc(F)cc(CN[C@@H]2C[C@]2(F)c2ccccc2)c1 ZINC000424204881 534448706 /nfs/dbraw/zinc/44/87/06/534448706.db2.gz VRFHJJIVJZIUQL-CVEARBPZSA-N -1 3 275.298 3.258 20 0 CGADHM O=C([O-])[C@@H](NCc1ccc(F)c(F)c1)c1ccc(F)cc1 ZINC000426813004 534515167 /nfs/dbraw/zinc/51/51/67/534515167.db2.gz UISAYKDIJMQSQB-AWEZNQCLSA-N -1 3 295.260 3.019 20 0 CGADHM Cc1cccc(-c2nc(-c3cnccc3C)no2)c1[O-] ZINC000168218432 534553689 /nfs/dbraw/zinc/55/36/89/534553689.db2.gz IOQLAIWHEMCBIA-UHFFFAOYSA-N -1 3 267.288 3.121 20 0 CGADHM Cc1cccc(C(=O)NCC2(c3cccc(F)c3)CC2)c1[O-] ZINC000436889981 534601602 /nfs/dbraw/zinc/60/16/02/534601602.db2.gz CXJHEZIAXUOBPU-UHFFFAOYSA-N -1 3 299.345 3.301 20 0 CGADHM CCc1cc(=O)[n-]c(CN[C@H](C)c2cccc(C)c2C)n1 ZINC000183713247 523834818 /nfs/dbraw/zinc/83/48/18/523834818.db2.gz LBOVMBSWZFGTCG-CYBMUJFWSA-N -1 3 285.391 3.212 20 0 CGADHM O=C(N[C@@H]1CCC[C@H]1c1ccccc1)c1ccccc1[O-] ZINC000436843731 534737270 /nfs/dbraw/zinc/73/72/70/534737270.db2.gz JZYGSGKCCYHHFI-GOEBONIOSA-N -1 3 281.355 3.458 20 0 CGADHM Cc1ccc([C@H](C)NCc2nc(C)ccc2[O-])cc1 ZINC000103343089 525929720 /nfs/dbraw/zinc/92/97/20/525929720.db2.gz HSDKVJNBVCIKMM-ZDUSSCGKSA-N -1 3 256.349 3.255 20 0 CGADHM CC(=O)c1cccc(NC(=O)c2cc[nH]c2C2CC2)c1[O-] ZINC000516038561 534892534 /nfs/dbraw/zinc/89/25/34/534892534.db2.gz RDVTXVHGDOBSJN-UHFFFAOYSA-N -1 3 284.315 3.053 20 0 CGADHM C=Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2F)cc1 ZINC000436480792 526279173 /nfs/dbraw/zinc/27/91/73/526279173.db2.gz YAMFAUZHJZLGSH-UHFFFAOYSA-N -1 3 295.310 3.409 20 0 CGADHM CC(=O)c1ccc(C(=O)N(C)Cc2ccccc2C)cc1[O-] ZINC000436851958 527235419 /nfs/dbraw/zinc/23/54/19/527235419.db2.gz GQHQDCSZCWMTEX-UHFFFAOYSA-N -1 3 297.354 3.175 20 0 CGADHM CCN(C)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000177396165 527784668 /nfs/dbraw/zinc/78/46/68/527784668.db2.gz GJWODYKFTYMBGR-UHFFFAOYSA-N -1 3 271.316 3.276 20 0 CGADHM CCC[C@@H]1SCCN1C(=O)c1cc(CC)ccc1[O-] ZINC000436545991 527872902 /nfs/dbraw/zinc/87/29/02/527872902.db2.gz IYOPOSMBMXJSBK-AWEZNQCLSA-N -1 3 279.405 3.270 20 0 CGADHM CCCN(CC(F)F)C(=O)c1cc(CC)ccc1[O-] ZINC000436540194 527935255 /nfs/dbraw/zinc/93/52/55/527935255.db2.gz OIFQUAKJSHXWDD-UHFFFAOYSA-N -1 3 271.307 3.072 20 0 CGADHM CCCN(CCC)C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436747216 528051550 /nfs/dbraw/zinc/05/15/50/528051550.db2.gz LLZYEHURYMOQIQ-UHFFFAOYSA-N -1 3 291.391 3.368 20 0 CGADHM CC(C)c1ccc(C(=O)N(C)CC[C@@H]2CCCO2)c([O-])c1 ZINC000436842262 528059061 /nfs/dbraw/zinc/05/90/61/528059061.db2.gz UUJQIYQCNMCUNR-AWEZNQCLSA-N -1 3 291.391 3.157 20 0 CGADHM CC(C)c1ccc(C(=O)N2CCO[C@H](C(C)C)C2)c([O-])c1 ZINC000436895224 528064418 /nfs/dbraw/zinc/06/44/18/528064418.db2.gz UHVZZLOTGKMUAR-INIZCTEOSA-N -1 3 291.391 3.013 20 0 CGADHM CCCN(Cc1ccccc1)C(=O)c1ccc(O)cc1[O-] ZINC000192850605 528145832 /nfs/dbraw/zinc/14/58/32/528145832.db2.gz TZHWKHBHQHUHQE-UHFFFAOYSA-N -1 3 285.343 3.150 20 0 CGADHM CCOc1c(F)cccc1C(=O)Nc1ccccc1[O-] ZINC000175083338 528185184 /nfs/dbraw/zinc/18/51/84/528185184.db2.gz AASSZZYWVGQJQS-UHFFFAOYSA-N -1 3 275.279 3.182 20 0 CGADHM CCC[C@H](NC(=O)c1ccc(C(C)=O)c([O-])c1)C1CCC1 ZINC000412429901 528202907 /nfs/dbraw/zinc/20/29/07/528202907.db2.gz WEOVZQVPUVSIRQ-HNNXBMFYSA-N -1 3 289.375 3.293 20 0 CGADHM CCOc1ccc(-c2noc(-c3cc(C)ccc3[O-])n2)cn1 ZINC000436916925 528355764 /nfs/dbraw/zinc/35/57/64/528355764.db2.gz BOXZDLTWTUGSOI-UHFFFAOYSA-N -1 3 297.314 3.211 20 0 CGADHM CC(C)[C@@H](C(=O)Nc1ccccc1[O-])c1cccnc1 ZINC000436118719 528375806 /nfs/dbraw/zinc/37/58/06/528375806.db2.gz AQVBLWMBIZWGGV-OAHLLOKOSA-N -1 3 270.332 3.166 20 0 CGADHM CC(C)[C@@H](CNC(=O)c1ccc(O)cc1[O-])c1ccccc1 ZINC000436675345 528461810 /nfs/dbraw/zinc/46/18/10/528461810.db2.gz UQUANKVDTALJIP-MRXNPFEDSA-N -1 3 299.370 3.267 20 0 CGADHM CCOc1ccc([N-]C(=O)c2cc(C3CC3)no2)c(F)c1 ZINC000412901725 528549830 /nfs/dbraw/zinc/54/98/30/528549830.db2.gz YHKPWHFUYGUZOZ-UHFFFAOYSA-N -1 3 290.294 3.342 20 0 CGADHM CCCCOc1ccc(C(=O)N(C)[C@H]2CC2(C)C)c([O-])c1 ZINC000436813926 528659664 /nfs/dbraw/zinc/65/96/64/528659664.db2.gz JHHVJTVSVQOOAL-HNNXBMFYSA-N -1 3 291.391 3.442 20 0 CGADHM CC(C)[C@@H]1CCC[C@@H](NC(=O)c2ccccc2[O-])C1 ZINC000436593796 528681149 /nfs/dbraw/zinc/68/11/49/528681149.db2.gz DSCWZCUJJXKTNH-CHWSQXEVSA-N -1 3 261.365 3.337 20 0 CGADHM CC(C)[C@@H]1CCC[C@H](NC(=O)Cc2ccc([O-])c(F)c2)C1 ZINC000448911140 528687067 /nfs/dbraw/zinc/68/70/67/528687067.db2.gz OOATYLYJWSLYNX-KGLIPLIRSA-N -1 3 293.382 3.405 20 0 CGADHM CCC(CC)C[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000169117380 528762463 /nfs/dbraw/zinc/76/24/63/528762463.db2.gz VKDAMCZPXPAONZ-UHFFFAOYSA-N -1 3 293.791 3.194 20 0 CGADHM CCCn1c(=O)[n-]nc1SCCCc1ccccc1C ZINC000440190309 528823104 /nfs/dbraw/zinc/82/31/04/528823104.db2.gz QZLZPCYWLBTCTF-UHFFFAOYSA-N -1 3 291.420 3.427 20 0 CGADHM CCC1(C)CN(C(=O)c2ccc3c(c2[O-])CCCC3)C1 ZINC000436657301 529029722 /nfs/dbraw/zinc/02/97/22/529029722.db2.gz UMVNEHFFPNMWJK-UHFFFAOYSA-N -1 3 273.376 3.143 20 0 CGADHM CCC1(CC)CN(C(=O)c2ccc([O-])c(C)c2)CCS1 ZINC000436801749 529077348 /nfs/dbraw/zinc/07/73/48/529077348.db2.gz VIRVGIFFDCALGI-UHFFFAOYSA-N -1 3 293.432 3.448 20 0 CGADHM CCC1(CC)CN(C(=O)c2cccc(C)c2[O-])CCS1 ZINC000436799585 529077964 /nfs/dbraw/zinc/07/79/64/529077964.db2.gz DTGYDRUAIAXWRL-UHFFFAOYSA-N -1 3 293.432 3.448 20 0 CGADHM CCN(C(=O)c1ccc(C)cc1[O-])c1ccc(OC)cc1 ZINC000436756284 529081022 /nfs/dbraw/zinc/08/10/22/529081022.db2.gz PLNQTPOQEQWVHZ-UHFFFAOYSA-N -1 3 285.343 3.376 20 0 CGADHM CCSCC[C@H](C)NC(=O)c1ccc(C)c(C)c1[O-] ZINC000436579219 529194536 /nfs/dbraw/zinc/19/45/36/529194536.db2.gz YIFISNYVZHOBSC-NSHDSACASA-N -1 3 281.421 3.271 20 0 CGADHM CCS[C@@H]1CCC[C@@H](NC(=O)c2ccccc2[O-])C1 ZINC000436727873 529212955 /nfs/dbraw/zinc/21/29/55/529212955.db2.gz DQHUPVKXEATLSU-VXGBXAGGSA-N -1 3 279.405 3.186 20 0 CGADHM CC[C@H]1CC[C@H](C(=O)Nc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000437803370 529252550 /nfs/dbraw/zinc/25/25/50/529252550.db2.gz QAYGAWFXPMUOLY-AULYBMBSSA-N -1 3 299.378 3.022 20 0 CGADHM CC[C@H]1CC[C@H](C(=O)Nc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000437803370 529252552 /nfs/dbraw/zinc/25/25/52/529252552.db2.gz QAYGAWFXPMUOLY-AULYBMBSSA-N -1 3 299.378 3.022 20 0 CGADHM CC[C@@H]1CCN(C(=O)c2c[n-]c3c(C)cccc3c2=O)C1 ZINC000164739143 529326655 /nfs/dbraw/zinc/32/66/55/529326655.db2.gz PMWCKXSXSXAYRR-GFCCVEGCSA-N -1 3 284.359 3.121 20 0 CGADHM CC(C)(C)c1ccc2c(c1)CN(CCCC(=O)[O-])CC2 ZINC000262214582 535124688 /nfs/dbraw/zinc/12/46/88/535124688.db2.gz KLAKGGHZODUYOM-UHFFFAOYSA-N -1 3 275.392 3.207 20 0 CGADHM CC(C)(C[N-]S(=O)(=O)c1cccs1)C1CCCC1 ZINC000513155894 535152644 /nfs/dbraw/zinc/15/26/44/535152644.db2.gz QHLLSDNTWLFQSA-UHFFFAOYSA-N -1 3 287.450 3.243 20 0 CGADHM CC[C@@H]([N-]S(=O)(=O)c1cc(C)ccc1F)C(C)(C)C ZINC000518483284 535806903 /nfs/dbraw/zinc/80/69/03/535806903.db2.gz LTHPVSFAWYNFKP-CYBMUJFWSA-N -1 3 287.400 3.237 20 0 CGADHM CCc1cc(C(=O)NCc2ccc(F)c(F)c2)ccc1[O-] ZINC000485664690 536124231 /nfs/dbraw/zinc/12/42/31/536124231.db2.gz BEABJEBHNBOOCH-UHFFFAOYSA-N -1 3 291.297 3.163 20 0 CGADHM COC[C@H](OC(=O)c1cc2ccsc2[n-]1)C(C)C ZINC000747161766 572915336 /nfs/dbraw/zinc/91/53/36/572915336.db2.gz DYGRMUAWQGJAAA-NSHDSACASA-N -1 3 267.350 3.057 20 0 CGADHM COc1ccc(NC(=O)[C@H]2CCCCC2(F)F)c([O-])c1 ZINC000451023134 571717763 /nfs/dbraw/zinc/71/77/63/571717763.db2.gz DPMHSNDTCFOVSD-SNVBAGLBSA-N -1 3 285.290 3.165 20 0 CGADHM CCCc1occc1C(=O)Nc1ccc(OC)cc1[O-] ZINC000337104106 571822632 /nfs/dbraw/zinc/82/26/32/571822632.db2.gz RNRYPULQVIAIGC-UHFFFAOYSA-N -1 3 275.304 3.199 20 0 CGADHM O=C([O-])CC[C@@H]1CCCN(c2ccnc3ccccc32)C1 ZINC000049842152 572328424 /nfs/dbraw/zinc/32/84/24/572328424.db2.gz CEHPEMLKOIZOEM-ZDUSSCGKSA-N -1 3 284.359 3.316 20 0 CGADHM CC(C)(C)c1nsc(NC(=O)c2cc3occc3[n-]2)n1 ZINC000750864641 572330602 /nfs/dbraw/zinc/33/06/02/572330602.db2.gz OKTBWSONOGEIRV-UHFFFAOYSA-N -1 3 290.348 3.162 20 0 CGADHM C[C@H]1CCN(C(=O)Cc2ccco2)c2c([O-])cccc21 ZINC000274402353 572331510 /nfs/dbraw/zinc/33/15/10/572331510.db2.gz SRDWNIOLABGVHT-NSHDSACASA-N -1 3 271.316 3.068 20 0 CGADHM Cc1ccccc1[C@H](C)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737424660 572342419 /nfs/dbraw/zinc/34/24/19/572342419.db2.gz WKJKJRUBFCMZSJ-ZDUSSCGKSA-N -1 3 293.374 3.373 20 0 CGADHM Cc1ccccc1[C@H](C)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737424660 572342422 /nfs/dbraw/zinc/34/24/22/572342422.db2.gz WKJKJRUBFCMZSJ-ZDUSSCGKSA-N -1 3 293.374 3.373 20 0 CGADHM CN(Cc1ccc(F)c(F)c1)[C@H](C(=O)[O-])c1ccccc1 ZINC000737472037 572346940 /nfs/dbraw/zinc/34/69/40/572346940.db2.gz JIGLOUGYSYANMJ-HNNXBMFYSA-N -1 3 291.297 3.223 20 0 CGADHM C[C@H](c1cccc(F)c1)N1CCC([C@H](C)NC(=O)[O-])CC1 ZINC000739029626 572407650 /nfs/dbraw/zinc/40/76/50/572407650.db2.gz WBOVOMLLDADXEK-NWDGAFQWSA-N -1 3 294.370 3.255 20 0 CGADHM C[C@H](NC[C@H]1CCCN(C(=O)[O-])C1)c1ccccc1Cl ZINC000739032672 572411862 /nfs/dbraw/zinc/41/18/62/572411862.db2.gz FDEYBWZDNDCOPY-NWDGAFQWSA-N -1 3 296.798 3.381 20 0 CGADHM CN(CC1CCN(C/C=C/c2ccccc2)CC1)C(=O)[O-] ZINC000739663254 572422001 /nfs/dbraw/zinc/42/20/01/572422001.db2.gz CQVFZEDXGQJHJG-VMPITWQZSA-N -1 3 288.391 3.022 20 0 CGADHM CC[C@@H](NC(=O)c1cccc([O-])c1)C1CCCCC1 ZINC000052343723 572438736 /nfs/dbraw/zinc/43/87/36/572438736.db2.gz TWPKHXVPTICGHB-OAHLLOKOSA-N -1 3 261.365 3.481 20 0 CGADHM CC(C)C[C@@H](C(=O)[N-]C1=NCCS1)c1ccccc1 ZINC000740778293 572457606 /nfs/dbraw/zinc/45/76/06/572457606.db2.gz PPXILPDWGXPXQU-CYBMUJFWSA-N -1 3 276.405 3.035 20 0 CGADHM COc1cc(C=Cc2nccc(=O)[n-]2)cc(Cl)c1OC ZINC000742219613 572559238 /nfs/dbraw/zinc/55/92/38/572559238.db2.gz CSILUEIUFNOZJT-ONEGZZNKSA-N -1 3 292.722 3.023 20 0 CGADHM Cc1ccc([C@@H](C)c2nc(-c3ccc([O-])cc3)no2)o1 ZINC000743272471 572644967 /nfs/dbraw/zinc/64/49/67/572644967.db2.gz XEDJAXWLTRPAGX-SNVBAGLBSA-N -1 3 270.288 3.495 20 0 CGADHM CCCCOCC(=O)[N-]c1cc(-c2ccccc2F)no1 ZINC000735686219 572738296 /nfs/dbraw/zinc/73/82/96/572738296.db2.gz NAHFUFFMXJKSSJ-UHFFFAOYSA-N -1 3 292.310 3.236 20 0 CGADHM CCc1cnc(COC(=O)c2cc3ccsc3[n-]2)o1 ZINC000744541191 572762288 /nfs/dbraw/zinc/76/22/88/572762288.db2.gz DZVJRHDGUAYBII-UHFFFAOYSA-N -1 3 276.317 3.137 20 0 CGADHM C/C(=C/c1ccccc1)CNCc1ccc(C(=O)[O-])o1 ZINC000736120489 572769587 /nfs/dbraw/zinc/76/95/87/572769587.db2.gz AALWIOUMLJHZMX-XFXZXTDPSA-N -1 3 271.316 3.171 20 0 CGADHM C[C@@H]1CCC[C@@H](N(C)c2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000736254281 572777271 /nfs/dbraw/zinc/77/72/71/572777271.db2.gz YEPONBPZYDWLCM-ZYHUDNBSSA-N -1 3 289.358 3.021 20 0 CGADHM C[C@@H]1CCC[C@@H](N(C)c2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000736254281 572777273 /nfs/dbraw/zinc/77/72/73/572777273.db2.gz YEPONBPZYDWLCM-ZYHUDNBSSA-N -1 3 289.358 3.021 20 0 CGADHM CCC[C@@H](C)N(C)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736426173 572788437 /nfs/dbraw/zinc/78/84/37/572788437.db2.gz XZLLIWDQOBMUEA-SECBINFHSA-N -1 3 279.775 3.145 20 0 CGADHM CCC[C@@H](C)N(C)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736426173 572788441 /nfs/dbraw/zinc/78/84/41/572788441.db2.gz XZLLIWDQOBMUEA-SECBINFHSA-N -1 3 279.775 3.145 20 0 CGADHM CCCCCC(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000736440925 572792270 /nfs/dbraw/zinc/79/22/70/572792270.db2.gz IUKVLLQJBYEAOT-NSHDSACASA-N -1 3 288.351 3.051 20 0 CGADHM CCCCCC(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000736440925 572792272 /nfs/dbraw/zinc/79/22/72/572792272.db2.gz IUKVLLQJBYEAOT-NSHDSACASA-N -1 3 288.351 3.051 20 0 CGADHM CC[C@@H](Nc1cccc2c1CN([C@H](C)C(C)C)C2)C(=O)[O-] ZINC000736926158 572826049 /nfs/dbraw/zinc/82/60/49/572826049.db2.gz ZSNPDBYJFWEYOU-IUODEOHRSA-N -1 3 290.407 3.322 20 0 CGADHM CS/C=C/C(=O)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000747149999 572912962 /nfs/dbraw/zinc/91/29/62/572912962.db2.gz NKOGXBFRKHUYGD-VOTSOKGWSA-N -1 3 291.294 3.130 20 0 CGADHM Cc1cccc(NC(=O)c2cc(=O)c3ccccc3o2)c1[O-] ZINC000748856808 572986971 /nfs/dbraw/zinc/98/69/71/572986971.db2.gz AQIOTBYZYWAGBC-UHFFFAOYSA-N -1 3 295.294 3.059 20 0 CGADHM O=C(OC/C(Cl)=C/Cl)c1ccc(F)cc1[O-] ZINC000750170279 573096950 /nfs/dbraw/zinc/09/69/50/573096950.db2.gz RRYBSGHWUGKOLB-XQRVVYSFSA-N -1 3 265.067 3.007 20 0 CGADHM CC(C)CO[N-]C(=O)c1ccc(C(F)(F)F)nc1Cl ZINC000750527937 573141857 /nfs/dbraw/zinc/14/18/57/573141857.db2.gz ARIPFBBOEHPCKP-UHFFFAOYSA-N -1 3 296.676 3.071 20 0 CGADHM CC(C)[C@H](C)SCc1cc(-c2nnn[n-]2)ccc1F ZINC000820020670 599129561 /nfs/dbraw/zinc/12/95/61/599129561.db2.gz JOUVJWYRKYNLMD-VIFPVBQESA-N -1 3 280.372 3.284 20 0 CGADHM CC(C)[C@H](C)SCc1cc(-c2nn[n-]n2)ccc1F ZINC000820020670 599129562 /nfs/dbraw/zinc/12/95/62/599129562.db2.gz JOUVJWYRKYNLMD-VIFPVBQESA-N -1 3 280.372 3.284 20 0 CGADHM Fc1ccc(CSCC2CCC2)c(-c2nnn[n-]2)c1 ZINC000822771350 599224449 /nfs/dbraw/zinc/22/44/49/599224449.db2.gz GELKFIUCFCJRRO-UHFFFAOYSA-N -1 3 278.356 3.039 20 0 CGADHM Fc1ccc(CSCC2CCC2)c(-c2nn[n-]n2)c1 ZINC000822771350 599224450 /nfs/dbraw/zinc/22/44/50/599224450.db2.gz GELKFIUCFCJRRO-UHFFFAOYSA-N -1 3 278.356 3.039 20 0 CGADHM C[C@H](NCc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1 ZINC000050920761 597207725 /nfs/dbraw/zinc/20/77/25/597207725.db2.gz NBQJPWBGHRAJFC-NSHDSACASA-N -1 3 273.307 3.375 20 0 CGADHM CSc1ccccc1CN[C@H](C(=O)[O-])c1ccccc1 ZINC000820910290 597674231 /nfs/dbraw/zinc/67/42/31/597674231.db2.gz YMOQTWDFUJTZKZ-HNNXBMFYSA-N -1 3 287.384 3.324 20 0 CGADHM O=C([O-])C1CCN(Cc2cnc(C3CCCC3)s2)CC1 ZINC000821510433 598120173 /nfs/dbraw/zinc/12/01/73/598120173.db2.gz DMDGBSXVQMKWHB-UHFFFAOYSA-N -1 3 294.420 3.097 20 0 CGADHM C[C@@H](NCc1ccc(C(=O)[O-])cc1)c1ccccc1N(C)C ZINC000820141863 598137050 /nfs/dbraw/zinc/13/70/50/598137050.db2.gz JRFJYOKVRQUNFU-CYBMUJFWSA-N -1 3 298.386 3.302 20 0 CGADHM Cc1cc(CNCc2cccc(C(=O)[O-])c2)cnc1Cl ZINC000756299157 598194087 /nfs/dbraw/zinc/19/40/87/598194087.db2.gz FAFFCWCMICHSCH-UHFFFAOYSA-N -1 3 290.750 3.031 20 0 CGADHM Cc1ccc(C)c(CNc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000737321590 598603783 /nfs/dbraw/zinc/60/37/83/598603783.db2.gz GNFVJXVGIHWOLA-UHFFFAOYSA-N -1 3 297.337 3.235 20 0 CGADHM Cc1ccc(C)c(CNc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000737321590 598603785 /nfs/dbraw/zinc/60/37/85/598603785.db2.gz GNFVJXVGIHWOLA-UHFFFAOYSA-N -1 3 297.337 3.235 20 0 CGADHM C/C(=C\CN1CCCC[C@H]1c1ccc(C)o1)C(=O)[O-] ZINC000825740726 601172125 /nfs/dbraw/zinc/17/21/25/601172125.db2.gz AKRVWNJLIPTLNJ-YKWSONSWSA-N -1 3 263.337 3.146 20 0 CGADHM Cc1cc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)ccc1F ZINC000822209657 599374830 /nfs/dbraw/zinc/37/48/30/599374830.db2.gz QTOSVOYOPYKZNO-LLVKDONJSA-N -1 3 297.337 3.487 20 0 CGADHM Cc1cc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)ccc1F ZINC000822209657 599374831 /nfs/dbraw/zinc/37/48/31/599374831.db2.gz QTOSVOYOPYKZNO-LLVKDONJSA-N -1 3 297.337 3.487 20 0 CGADHM Cc1ccc([C@H](C)CNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737322301 599531121 /nfs/dbraw/zinc/53/11/21/599531121.db2.gz XQHBVMWYSUMFNY-CYBMUJFWSA-N -1 3 293.374 3.391 20 0 CGADHM O=C([O-])[C@@H](NC/C=C\c1ccccc1)c1ccccc1F ZINC000756332965 600750167 /nfs/dbraw/zinc/75/01/67/600750167.db2.gz OGIOQXZEDMUIJQ-HWYHOQROSA-N -1 3 285.318 3.254 20 0 CGADHM C[C@]1(c2ccccc2)C[C@@H]1N[C@H](C(=O)[O-])c1ccccc1F ZINC000828123665 600755308 /nfs/dbraw/zinc/75/53/08/600755308.db2.gz WZWQTYXSZQZPKN-XYJFISCASA-N -1 3 299.345 3.271 20 0 CGADHM O=C([O-])c1ccc(CN2CC[C@H]2c2ccccc2)cc1 ZINC000833313509 601009206 /nfs/dbraw/zinc/00/92/06/601009206.db2.gz XPIPHMHFIDBDRA-INIZCTEOSA-N -1 3 267.328 3.332 20 0 CGADHM CN(CCN(Cc1ccccc1)C(=O)[O-])Cc1ccccc1 ZINC000830781044 601304065 /nfs/dbraw/zinc/30/40/65/601304065.db2.gz DWFRYBKBFPHMQW-UHFFFAOYSA-N -1 3 298.386 3.299 20 0 CGADHM CCCCc1nc(CN[C@](C)(CC)CC(=O)[O-])cs1 ZINC000829441082 602216868 /nfs/dbraw/zinc/21/68/68/602216868.db2.gz QVIKGFZPFJNATD-CQSZACIVSA-N -1 3 284.425 3.219 20 0 CGADHM Cc1ccc([C@H](C)NCc2ccc(NC(=O)[O-])nc2)cc1 ZINC000830257116 603539728 /nfs/dbraw/zinc/53/97/28/603539728.db2.gz RNWIBBFZDPUKEX-LBPRGKRZSA-N -1 3 285.347 3.331 20 0 CGADHM C[C@H](c1ccccc1F)N1CCC[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000825255956 604217622 /nfs/dbraw/zinc/21/76/22/604217622.db2.gz SNXKWHKJRWMCHN-XQQFMLRXSA-N -1 3 294.370 3.255 20 0 CGADHM C[C@@H](NCC[C@@H]1CCN(C(=O)[O-])C1)c1c(F)cccc1F ZINC000825490882 604290201 /nfs/dbraw/zinc/29/02/01/604290201.db2.gz ROZJIYYDHNJQIR-GHMZBOCLSA-N -1 3 298.333 3.005 20 0 CGADHM C[C@H](NC[C@H]1CCCN1C(=O)[O-])c1ccc2ccccc2n1 ZINC000825490247 604295893 /nfs/dbraw/zinc/29/58/93/604295893.db2.gz JWQSVFIDVBUSAE-GXTWGEPZSA-N -1 3 299.374 3.028 20 0 CGADHM CC(C)CN(CCC(=O)[O-])Cc1cscc1Cl ZINC000833486241 604577917 /nfs/dbraw/zinc/57/79/17/604577917.db2.gz DVUOXLYXFZWZGS-UHFFFAOYSA-N -1 3 275.801 3.334 20 0 CGADHM C[C@@H]1C[C@@H]1c1ccc(CN2CCC3(C[C@@H]3C(=O)[O-])CC2)o1 ZINC000405402409 604648955 /nfs/dbraw/zinc/64/89/55/604648955.db2.gz SBPANRNXQAIYCF-KWCYVHTRSA-N -1 3 289.375 3.090 20 0 CGADHM C/C(=C\CN1[C@H](C)Cc2cc(F)ccc2[C@@H]1C)C(=O)[O-] ZINC000833384669 604721685 /nfs/dbraw/zinc/72/16/85/604721685.db2.gz SUDGVKIXOLALHO-IUEHSCGASA-N -1 3 277.339 3.164 20 0 CGADHM Cc1cccc([C@H](C)N[C@@H](C(=O)[O-])c2cccnc2)c1C ZINC000832965881 605002442 /nfs/dbraw/zinc/00/24/42/605002442.db2.gz GSCSDKGPFSCQKN-XJKSGUPXSA-N -1 3 284.359 3.175 20 0 CGADHM O=C([O-])c1occc1CNCc1csc2ccccc12 ZINC000833785510 605078826 /nfs/dbraw/zinc/07/88/26/605078826.db2.gz ZEJYTPOEAUXGNA-UHFFFAOYSA-N -1 3 287.340 3.482 20 0 CGADHM C[C@@H]1CCc2ccccc2[C@@H]1NCc1ccoc1C(=O)[O-] ZINC000833617849 605123063 /nfs/dbraw/zinc/12/30/63/605123063.db2.gz WRCNYDOKKRHIGA-IAQYHMDHSA-N -1 3 285.343 3.391 20 0 CGADHM Cc1cc(C=Cc2cc(=O)[n-]c(C3CC3)n2)cnc1F ZINC000899373441 620681824 /nfs/dbraw/zinc/68/18/24/620681824.db2.gz JAENKMBXEWKCLM-GORDUTHDSA-N -1 3 271.295 3.073 20 0 CGADHM C[C@@H]1CC[C@H](C)CN1Cc1cc(C(=O)[O-])ccc1F ZINC000088712501 605836515 /nfs/dbraw/zinc/83/65/15/605836515.db2.gz QUSGMCXNPIPITI-WDEREUQCSA-N -1 3 265.328 3.144 20 0 CGADHM Cc1occc1-c1nc2ccccc2c(C)c1-c1nnn[n-]1 ZINC000095329505 606018792 /nfs/dbraw/zinc/01/87/92/606018792.db2.gz XNYOELIIWGMQOG-UHFFFAOYSA-N -1 3 291.314 3.292 20 0 CGADHM Cc1occc1-c1nc2ccccc2c(C)c1-c1nn[n-]n1 ZINC000095329505 606018797 /nfs/dbraw/zinc/01/87/97/606018797.db2.gz XNYOELIIWGMQOG-UHFFFAOYSA-N -1 3 291.314 3.292 20 0 CGADHM C[C@H]1c2ccccc2CN1c1cccc(F)c1-c1nnn[n-]1 ZINC000820825934 606137749 /nfs/dbraw/zinc/13/77/49/606137749.db2.gz HPDLCZUWXKTSLX-JTQLQIEISA-N -1 3 295.321 3.087 20 0 CGADHM C[C@H]1c2ccccc2CN1c1cccc(F)c1-c1nn[n-]n1 ZINC000820825934 606137751 /nfs/dbraw/zinc/13/77/51/606137751.db2.gz HPDLCZUWXKTSLX-JTQLQIEISA-N -1 3 295.321 3.087 20 0 CGADHM CCCC[C@@H](Nc1ccc(-c2nnn[n-]2)cn1)C1CCC1 ZINC000821043473 606804835 /nfs/dbraw/zinc/80/48/35/606804835.db2.gz QHYFPBWMLQHIBD-CYBMUJFWSA-N -1 3 286.383 3.033 20 0 CGADHM CCCC[C@@H](Nc1ccc(-c2nn[n-]n2)cn1)C1CCC1 ZINC000821043473 606804836 /nfs/dbraw/zinc/80/48/36/606804836.db2.gz QHYFPBWMLQHIBD-CYBMUJFWSA-N -1 3 286.383 3.033 20 0 CGADHM CC(C)c1ncc(C=Cc2ccc(-c3nnn[n-]3)cn2)s1 ZINC000820206602 606931904 /nfs/dbraw/zinc/93/19/04/606931904.db2.gz RQICBNCSFSUIRA-WAYWQWQTSA-N -1 3 298.375 3.012 20 0 CGADHM CC(C)c1ncc(C=Cc2ccc(-c3nn[n-]n3)cn2)s1 ZINC000820206602 606931906 /nfs/dbraw/zinc/93/19/06/606931906.db2.gz RQICBNCSFSUIRA-WAYWQWQTSA-N -1 3 298.375 3.012 20 0 CGADHM c1cc(-c2nnn[n-]2)c(N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)cn1 ZINC000826513005 608770174 /nfs/dbraw/zinc/77/01/74/608770174.db2.gz WVZNKOOUSNAGOO-JHJVBQTASA-N -1 3 298.394 3.033 20 0 CGADHM c1cc(-c2nn[n-]n2)c(N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)cn1 ZINC000826513005 608770175 /nfs/dbraw/zinc/77/01/75/608770175.db2.gz WVZNKOOUSNAGOO-JHJVBQTASA-N -1 3 298.394 3.033 20 0 CGADHM Cc1occc1SCc1ccc(-c2nnn[n-]2)cc1F ZINC000826342590 609179024 /nfs/dbraw/zinc/17/90/24/609179024.db2.gz RRIAQBZTURXKTL-UHFFFAOYSA-N -1 3 290.323 3.200 20 0 CGADHM Cc1occc1SCc1ccc(-c2nn[n-]n2)cc1F ZINC000826342590 609179026 /nfs/dbraw/zinc/17/90/26/609179026.db2.gz RRIAQBZTURXKTL-UHFFFAOYSA-N -1 3 290.323 3.200 20 0 CGADHM CCc1cc(NCc2ccccc2-c2nnn[n-]2)ccc1C ZINC000825700845 609313422 /nfs/dbraw/zinc/31/34/22/609313422.db2.gz VVDALOUWIAALRQ-UHFFFAOYSA-N -1 3 293.374 3.350 20 0 CGADHM CCc1cc(NCc2ccccc2-c2nn[n-]n2)ccc1C ZINC000825700845 609313424 /nfs/dbraw/zinc/31/34/24/609313424.db2.gz VVDALOUWIAALRQ-UHFFFAOYSA-N -1 3 293.374 3.350 20 0 CGADHM CS[C@H](CNc1ccc(-c2nn[n-]n2)cc1)C(C)(C)C ZINC000826226139 609591059 /nfs/dbraw/zinc/59/10/59/609591059.db2.gz SPVKTAFUZKJGLH-GFCCVEGCSA-N -1 3 291.424 3.056 20 0 CGADHM COCC1(CO[N-]C(=O)CCC2CCCCC2)CCC1 ZINC000812304646 617755137 /nfs/dbraw/zinc/75/51/37/617755137.db2.gz REQHTTZDLYBPEW-UHFFFAOYSA-N -1 3 283.412 3.211 20 0 CGADHM CCCO[N-]C(=O)C1(Cc2ccccc2Cl)CC1 ZINC000844088259 617864469 /nfs/dbraw/zinc/86/44/69/617864469.db2.gz QDVZVUPNJZSGOE-UHFFFAOYSA-N -1 3 267.756 3.121 20 0 CGADHM Cc1nc(C)c(CN[C@@H](CC(=O)[O-])c2cccs2)s1 ZINC000088867887 618129947 /nfs/dbraw/zinc/12/99/47/618129947.db2.gz SBRYHWWREQPXEC-JTQLQIEISA-N -1 3 296.417 3.127 20 0 CGADHM COc1cccc(CN(C)Cc2ccccc2C(=O)[O-])c1 ZINC000048894544 618627363 /nfs/dbraw/zinc/62/73/63/618627363.db2.gz VFZGCDMUMQPBBF-UHFFFAOYSA-N -1 3 285.343 3.025 20 0 CGADHM O=C([N-]c1ncsc1C1CC1)c1nc(Cl)cs1 ZINC000893266923 619054215 /nfs/dbraw/zinc/05/42/15/619054215.db2.gz SBUHXUXMMPTKIH-UHFFFAOYSA-N -1 3 285.781 3.383 20 0 CGADHM CCCCCc1ccc(C(=O)CCC(=O)[N-]OC)cc1 ZINC000053720247 619143370 /nfs/dbraw/zinc/14/33/70/619143370.db2.gz AIWIWOOABTXEPI-UHFFFAOYSA-N -1 3 277.364 3.060 20 0 CGADHM CCC(=O)[C@@H]1CCCN1C(=O)c1ccc(C(C)C)cc1[O-] ZINC000909354197 619176061 /nfs/dbraw/zinc/17/60/61/619176061.db2.gz SVUKLFWALFPZLE-AWEZNQCLSA-N -1 3 289.375 3.099 20 0 CGADHM CSCc1ccc(NC([O-])=NO[C@H]2CCCCO2)cc1 ZINC000159349574 619464327 /nfs/dbraw/zinc/46/43/27/619464327.db2.gz HUYDLBSAHLQYAS-ZDUSSCGKSA-N -1 3 296.392 3.129 20 0 CGADHM CSCc1ccc(NC(=O)[N-]O[C@H]2CCCCO2)cc1 ZINC000159349574 619464329 /nfs/dbraw/zinc/46/43/29/619464329.db2.gz HUYDLBSAHLQYAS-ZDUSSCGKSA-N -1 3 296.392 3.129 20 0 CGADHM Cc1ccc(C(=O)N2CCC[C@H]2COC(C)(C)C)c([O-])c1 ZINC000928241362 619485863 /nfs/dbraw/zinc/48/58/63/619485863.db2.gz FBMZDKCXNPOKQQ-ZDUSSCGKSA-N -1 3 291.391 3.120 20 0 CGADHM CC[C@H]1CCC[C@]1(C)C(=O)[N-]OCCC(F)(F)F ZINC000879565950 619506922 /nfs/dbraw/zinc/50/69/22/619506922.db2.gz AYRDUENAIIVNIT-ONGXEEELSA-N -1 3 267.291 3.203 20 0 CGADHM [O-]c1ccc(CNc2ccc3c(c2)CCOC3)cc1F ZINC000895392522 619820032 /nfs/dbraw/zinc/82/00/32/619820032.db2.gz TWMUWAXFJDJLDX-UHFFFAOYSA-N -1 3 273.307 3.216 20 0 CGADHM [O-]c1ccc(CN2CCS[C@@H](C(F)(F)F)C2)cc1F ZINC000896452692 620009551 /nfs/dbraw/zinc/00/95/51/620009551.db2.gz HZIAERGHABZOLJ-LLVKDONJSA-N -1 3 295.301 3.011 20 0 CGADHM [O-]c1cc(F)c(CCNc2nc(C3CC3)ns2)c(F)c1 ZINC000896633959 620039519 /nfs/dbraw/zinc/03/95/19/620039519.db2.gz ZGLWZXBDRWUDQN-UHFFFAOYSA-N -1 3 297.330 3.054 20 0 CGADHM CC(C)c1ccc(-c2nc(C3CSC3)no2)c([O-])c1 ZINC000896729872 620052011 /nfs/dbraw/zinc/05/20/11/620052011.db2.gz PIZOTAUUMPGMHG-UHFFFAOYSA-N -1 3 276.361 3.396 20 0 CGADHM Cn1ncc(C=Cc2cc(=O)[n-]c(C(C)(C)C)n2)c1Cl ZINC000840718890 620180285 /nfs/dbraw/zinc/18/02/85/620180285.db2.gz GSXPEQATDODFCI-WAYWQWQTSA-N -1 3 292.770 3.037 20 0 CGADHM O=C(CCC1CCCCC1)[N-]OCCOc1ccccc1 ZINC000303306172 620190169 /nfs/dbraw/zinc/19/01/69/620190169.db2.gz NTSLGPAWOYJBGZ-UHFFFAOYSA-N -1 3 291.391 3.474 20 0 CGADHM CC(C)(C)CCCCC(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000898220576 620489473 /nfs/dbraw/zinc/48/94/73/620489473.db2.gz AAPMBDDCPINMSO-LBPRGKRZSA-N -1 3 293.411 3.038 20 0 CGADHM Cc1cccc(CO[N-]C(=O)CCCc2ccsc2)n1 ZINC000898931805 620610201 /nfs/dbraw/zinc/61/02/01/620610201.db2.gz CXMNLNCFACSONL-UHFFFAOYSA-N -1 3 290.388 3.022 20 0 CGADHM CCN(CC(=O)[O-])Cc1cc(C(F)(F)F)ccc1Cl ZINC000901426646 620883954 /nfs/dbraw/zinc/88/39/54/620883954.db2.gz LQDPTVXLGDLHOI-UHFFFAOYSA-N -1 3 295.688 3.265 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2cn(C)nc2C2CCCC2)n1 ZINC000901505845 620904142 /nfs/dbraw/zinc/90/41/42/620904142.db2.gz XIUIWXCOHXPXLK-FPLPWBNLSA-N -1 3 284.363 3.052 20 0 CGADHM CCc1onc(C)c1CSCc1nc(CC)cc(=O)[n-]1 ZINC000901769365 621018449 /nfs/dbraw/zinc/01/84/49/621018449.db2.gz KQPNNJHXMGNIOZ-UHFFFAOYSA-N -1 3 293.392 3.037 20 0 CGADHM C[C@@H](CCC(F)(F)F)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC000901908025 621065993 /nfs/dbraw/zinc/06/59/93/621065993.db2.gz MVBRAMBWFDWWNA-BQBZGAKWSA-N -1 3 296.314 3.223 20 0 CGADHM CC(C)(C)c1cnc(CN[C@@](C)(CC(=O)[O-])C2CC2)s1 ZINC000901949823 621074850 /nfs/dbraw/zinc/07/48/50/621074850.db2.gz JGEXCYUOFGBWCX-HNNXBMFYSA-N -1 3 296.436 3.174 20 0 CGADHM C[C@@H](CN(Cc1cnc(C(C)(C)C)s1)C1CC1)C(=O)[O-] ZINC000901993229 621088712 /nfs/dbraw/zinc/08/87/12/621088712.db2.gz JDMHYGORPYKFDW-JTQLQIEISA-N -1 3 296.436 3.126 20 0 CGADHM CCc1nc([C@H](C)N[C@@H]2CC[C@@H](CC(=O)[O-])[C@@H]2C)cs1 ZINC000902252236 621209197 /nfs/dbraw/zinc/20/91/97/621209197.db2.gz GEIZIZNEMKRXED-FIQHERPVSA-N -1 3 296.436 3.246 20 0 CGADHM C[C@@H]1C[C@H](N[C@@H]2C[C@@]2(F)c2ccccc2)CC[C@H]1C(=O)[O-] ZINC000902340707 621253179 /nfs/dbraw/zinc/25/31/79/621253179.db2.gz JCNNNXRWSHSDJQ-WDGOXLLCSA-N -1 3 291.366 3.103 20 0 CGADHM Cc1cc(=O)[n-]c(CSC[C@H]2CCCC(C)(C)O2)n1 ZINC000902341316 621253220 /nfs/dbraw/zinc/25/32/20/621253220.db2.gz CHHOFWYCFWCNPB-LLVKDONJSA-N -1 3 282.409 3.072 20 0 CGADHM O=C([O-])c1occc1CN[C@H]1CCc2ccc(Cl)cc21 ZINC000902367499 621275233 /nfs/dbraw/zinc/27/52/33/621275233.db2.gz FKVANZLFQQGFIL-ZDUSSCGKSA-N -1 3 291.734 3.408 20 0 CGADHM O=C([O-])/C=C\c1ccc(CN2CCC(C3CCC3)CC2)o1 ZINC000902436744 621319357 /nfs/dbraw/zinc/31/93/57/621319357.db2.gz UEAVEXQZVIMWIS-SREVYHEPSA-N -1 3 289.375 3.390 20 0 CGADHM O=C([O-])c1cc(CN2CCC=C(c3ccco3)C2)cs1 ZINC000902457642 621335274 /nfs/dbraw/zinc/33/52/74/621335274.db2.gz FAJLBVKXLHXISJ-UHFFFAOYSA-N -1 3 289.356 3.329 20 0 CGADHM CCc1oc(CN(C)[C@H](CC)CSC)cc1C(=O)[O-] ZINC000902531354 621364611 /nfs/dbraw/zinc/36/46/11/621364611.db2.gz UKYFTMKLHPCDJG-SNVBAGLBSA-N -1 3 285.409 3.114 20 0 CGADHM CN(Cc1cccc(C(=O)[O-])n1)C(C)(C)c1ccccc1 ZINC000902547610 621371713 /nfs/dbraw/zinc/37/17/13/621371713.db2.gz RJJJPHCBRCTKRJ-UHFFFAOYSA-N -1 3 284.359 3.147 20 0 CGADHM CN(Cc1ccoc1C(=O)[O-])C(C)(C)c1ccccc1 ZINC000902548200 621372503 /nfs/dbraw/zinc/37/25/03/621372503.db2.gz XIZADMFFVNJJRT-UHFFFAOYSA-N -1 3 273.332 3.345 20 0 CGADHM Cc1cc(C)nc(COc2ccc3c([O-])coc3c2C)c1 ZINC000902776842 621435802 /nfs/dbraw/zinc/43/58/02/621435802.db2.gz QTUQMQQFUVKCMH-UHFFFAOYSA-N -1 3 283.327 3.161 20 0 CGADHM Cc1ccc(F)c(CN2[C@@H](C)CC(C(=O)[O-])C[C@@H]2C)c1F ZINC000903606535 621770153 /nfs/dbraw/zinc/77/01/53/621770153.db2.gz CDKMNZRFSCBWFR-QWRGUYRKSA-N -1 3 297.345 3.347 20 0 CGADHM O=C([O-])c1ccc(CN2CCC[C@H]2c2ccncc2)s1 ZINC000903688106 621785847 /nfs/dbraw/zinc/78/58/47/621785847.db2.gz RQVBKPVUKIPROY-ZDUSSCGKSA-N -1 3 288.372 3.178 20 0 CGADHM COc1ccc(F)c(CN2CCCC[C@@H]2CCC(=O)[O-])c1 ZINC000903698568 621791740 /nfs/dbraw/zinc/79/17/40/621791740.db2.gz YVHFDVLAGJWGIA-CYBMUJFWSA-N -1 3 295.354 3.054 20 0 CGADHM Cc1ccc([C@H](C)N(C)Cc2cncc(C(=O)[O-])c2)cc1 ZINC000903887445 621822405 /nfs/dbraw/zinc/82/24/05/621822405.db2.gz RQADNMDVMRVQPH-ZDUSSCGKSA-N -1 3 284.359 3.281 20 0 CGADHM O=C(NOCC1CC1)N([O-])Cc1cccc2ccccc21 ZINC000904187655 621883103 /nfs/dbraw/zinc/88/31/03/621883103.db2.gz QIIDBULQDGDMGV-UHFFFAOYSA-N -1 3 286.331 3.082 20 0 CGADHM C[C@@]1(NCc2cccc(C(=O)[O-])c2)CCOc2ccccc21 ZINC000904262075 621898262 /nfs/dbraw/zinc/89/82/62/621898262.db2.gz WGZRXKGECOSCTK-GOSISDBHSA-N -1 3 297.354 3.172 20 0 CGADHM CC[C@H](C)C[C@H](N)c1nc(-c2ccc([O-])cc2F)no1 ZINC000904689154 621953628 /nfs/dbraw/zinc/95/36/28/621953628.db2.gz HFDYKKOKADRBCS-UFBFGSQYSA-N -1 3 279.315 3.017 20 0 CGADHM Cc1cc(CN[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)c(C)o1 ZINC000905008741 622027419 /nfs/dbraw/zinc/02/74/19/622027419.db2.gz IKJGHEMUHXTRKA-JKSUJKDBSA-N -1 3 285.343 3.299 20 0 CGADHM Cc1nc(C)c(C=Cc2cc(=O)[n-]c(C(C)(C)C)n2)o1 ZINC000905072431 622036552 /nfs/dbraw/zinc/03/65/52/622036552.db2.gz DYKLAEPFZMYGGL-VOTSOKGWSA-N -1 3 273.336 3.255 20 0 CGADHM Cc1ccc(CN[C@H](C(=O)[O-])c2cccc(C)c2C)c(C)n1 ZINC000905399064 622066660 /nfs/dbraw/zinc/06/66/60/622066660.db2.gz GNXLQWBDJAELFW-KRWDZBQOSA-N -1 3 298.386 3.231 20 0 CGADHM CC[C@@H](NCc1ccc(C(=O)[O-])cn1)c1ccc(C)cc1 ZINC000905724401 622100455 /nfs/dbraw/zinc/10/04/55/622100455.db2.gz JZKWYUHGUDKMAQ-MRXNPFEDSA-N -1 3 284.359 3.329 20 0 CGADHM C[C@@H](NCCC(C)(C)C(=O)[O-])c1c(F)cccc1F ZINC000905729835 622101714 /nfs/dbraw/zinc/10/17/14/622101714.db2.gz WSRUVSIPZFZTQQ-SECBINFHSA-N -1 3 271.307 3.116 20 0 CGADHM Cc1ccc(C/N=C/c2cc(Cl)ccc2[O-])cn1 ZINC000044011414 622492954 /nfs/dbraw/zinc/49/29/54/622492954.db2.gz QKEAKFCCNULFFP-CXUHLZMHSA-N -1 3 260.724 3.368 20 0 CGADHM Cc1ccc(C(=O)NN=C2CCCCCC2)c([O-])c1 ZINC000054885417 622800458 /nfs/dbraw/zinc/80/04/58/622800458.db2.gz JHDMAISFIIQYEB-UHFFFAOYSA-N -1 3 260.337 3.141 20 0 CGADHM CCC1(CC)CCN(Cc2cc(C(=O)[O-])co2)CC1 ZINC000062954709 623284095 /nfs/dbraw/zinc/28/40/95/623284095.db2.gz SFLPSJTYQZELOZ-UHFFFAOYSA-N -1 3 265.353 3.380 20 0 CGADHM CC(=O)Nc1ccc(C)c(NCc2ccc([O-])c(F)c2)c1 ZINC000232422076 623387113 /nfs/dbraw/zinc/38/71/13/623387113.db2.gz DQXKXOQMMWKREQ-UHFFFAOYSA-N -1 3 288.322 3.410 20 0 CGADHM C/C(=C/c1ccccc1Cl)C(=O)[N-]OCC(F)F ZINC000760145341 623607913 /nfs/dbraw/zinc/60/79/13/623607913.db2.gz AEWDHXZRNPSOMY-VURMDHGXSA-N -1 3 275.682 3.056 20 0 CGADHM O=C(Oc1ccc2c(c1)OCO2)c1cc2ccsc2[n-]1 ZINC000916851976 624220212 /nfs/dbraw/zinc/22/02/12/624220212.db2.gz PXRJDIOGVMOIRA-UHFFFAOYSA-N -1 3 287.296 3.177 20 0 CGADHM CCOc1ccc(N(C)C(=O)c2cc(C)ccc2[O-])cc1 ZINC000155062993 624419780 /nfs/dbraw/zinc/41/97/80/624419780.db2.gz LDLGZYOCRBDQBI-UHFFFAOYSA-N -1 3 285.343 3.376 20 0 CGADHM O=C(/C=C/c1ccccc1)Nc1cc(F)ccc1[O-] ZINC000179647142 624673845 /nfs/dbraw/zinc/67/38/45/624673845.db2.gz VHMHGDSPCQPDKM-RMKNXTFCSA-N -1 3 257.264 3.183 20 0 CGADHM COC1(C/N=C/c2cc(Br)ccc2[O-])CCC1 ZINC000182197977 624955707 /nfs/dbraw/zinc/95/57/07/624955707.db2.gz DXJVCIJRDNDIAJ-OVCLIPMQSA-N -1 3 298.180 3.143 20 0 CGADHM CCOCCO[N-]C(=O)C[C@@H](C)c1ccc(C(C)C)cc1 ZINC000184837889 625276093 /nfs/dbraw/zinc/27/60/93/625276093.db2.gz JFYPQTRPYJOOJY-CQSZACIVSA-N -1 3 293.407 3.388 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)c2cccc(O)c2[O-])c1O ZINC000187100834 626133359 /nfs/dbraw/zinc/13/33/59/626133359.db2.gz PKQZOAAAQWULRF-UHFFFAOYSA-N -1 3 293.706 3.018 20 0 CGADHM CCC[C@@H](NC(=O)c1nnc2ccccc2c1[O-])C1CCC1 ZINC000838313104 626211400 /nfs/dbraw/zinc/21/14/00/626211400.db2.gz UKLJECVQTXHYCL-CYBMUJFWSA-N -1 3 299.374 3.034 20 0 CGADHM Cc1ccc2nc(NC(=O)c3ccc(N)cc3[O-])sc2c1 ZINC000751019653 626374026 /nfs/dbraw/zinc/37/40/26/626374026.db2.gz SVKAPIMZTDMIEB-UHFFFAOYSA-N -1 3 299.355 3.145 20 0 CGADHM COCCCO[N-]C(=O)C[C@H]1C[C@H](C)c2c1cccc2C ZINC000805043409 626453374 /nfs/dbraw/zinc/45/33/74/626453374.db2.gz SCCBFNJUBWZADW-UONOGXRCSA-N -1 3 291.391 3.060 20 0 CGADHM CCn1cc(NC(=S)Nc2ccc(Cl)cc2[O-])cn1 ZINC000753902888 626468588 /nfs/dbraw/zinc/46/85/88/626468588.db2.gz PWWOZFHFTRBLEK-UHFFFAOYSA-N -1 3 296.783 3.071 20 0 CGADHM C[C@H](CC(=O)Nc1ccc(Cl)cc1[O-])C1CC1 ZINC000754488481 626573364 /nfs/dbraw/zinc/57/33/64/626573364.db2.gz QBNUNVDUXQOWIB-MRVPVSSYSA-N -1 3 253.729 3.420 20 0 CGADHM O=C(C[C@@H]1CCc2ccccc21)[N-]OCc1ccc(F)cc1 ZINC000754715426 626584245 /nfs/dbraw/zinc/58/42/45/626584245.db2.gz AWIXWZOWANDTKZ-HNNXBMFYSA-N -1 3 299.345 3.494 20 0 CGADHM CC(C)(C)c1csc([N-]C(=O)c2cc(Cl)no2)n1 ZINC000874147076 634518861 /nfs/dbraw/zinc/51/88/61/634518861.db2.gz GQZBVQDHBVZOIF-UHFFFAOYSA-N -1 3 285.756 3.334 20 0 CGADHM C[C@@H]1CCc2ccccc2[C@H]1[N-]C(=O)C(F)(F)C(F)F ZINC000762720223 627122224 /nfs/dbraw/zinc/12/22/24/627122224.db2.gz BIKBWSFKDLRICY-KCJUWKMLSA-N -1 3 289.272 3.327 20 0 CGADHM Cc1ccc(SCCC[N-]C(=O)C(F)(F)F)c(C)c1 ZINC000762770766 627123621 /nfs/dbraw/zinc/12/36/21/627123621.db2.gz ALRQQHNZYAREBD-UHFFFAOYSA-N -1 3 291.338 3.464 20 0 CGADHM CCC/C(C)=C/C(=O)Nc1ccc(C(=O)OCC)cc1[O-] ZINC000762803587 627125125 /nfs/dbraw/zinc/12/51/25/627125125.db2.gz AIHAOITZVKWDQK-PKNBQFBNSA-N -1 3 291.347 3.254 20 0 CGADHM CCC/C(C)=C\C(=O)Nc1ccc(C(=O)OCC)cc1[O-] ZINC000762803584 627125173 /nfs/dbraw/zinc/12/51/73/627125173.db2.gz AIHAOITZVKWDQK-LUAWRHEFSA-N -1 3 291.347 3.254 20 0 CGADHM CCCc1nc(CSCc2nc(C)cc(=O)[n-]2)cs1 ZINC000763217076 627145382 /nfs/dbraw/zinc/14/53/82/627145382.db2.gz QXRYJFRXMDIASG-UHFFFAOYSA-N -1 3 295.433 3.333 20 0 CGADHM COc1cccc(C=Cc2nccc(=O)[n-]2)c1OC(C)C ZINC000764433198 627207542 /nfs/dbraw/zinc/20/75/42/627207542.db2.gz DVRRQSWGTOKNON-FPLPWBNLSA-N -1 3 286.331 3.148 20 0 CGADHM CCc1cccc(C(=O)Nc2ccc(O)c(C)c2)c1[O-] ZINC000764871160 627230998 /nfs/dbraw/zinc/23/09/98/627230998.db2.gz GLJOZNNWDZOCDC-UHFFFAOYSA-N -1 3 271.316 3.221 20 0 CGADHM CCc1cccc(C(=O)Nc2ccc(COC)cc2)c1[O-] ZINC000769522429 627562174 /nfs/dbraw/zinc/56/21/74/627562174.db2.gz PRRVDNSQXRWHMU-UHFFFAOYSA-N -1 3 285.343 3.353 20 0 CGADHM Cc1cc(C)cc(CCC(=O)[N-]OCc2ccccc2)c1 ZINC000771235316 627691942 /nfs/dbraw/zinc/69/19/42/627691942.db2.gz NSVUEBFISFHHOH-UHFFFAOYSA-N -1 3 283.371 3.484 20 0 CGADHM Cc1c([O-])ccc2c(CSc3ncco3)cc(=O)oc12 ZINC000772247410 627777625 /nfs/dbraw/zinc/77/76/25/627777625.db2.gz OGQIMIVUELFKDB-UHFFFAOYSA-N -1 3 289.312 3.087 20 0 CGADHM CCCCCC[C@H](C)CC(=O)[N-]OC1CCOCC1 ZINC000772705072 627816751 /nfs/dbraw/zinc/81/67/51/627816751.db2.gz APXGDBDGPKLDNL-ZDUSSCGKSA-N -1 3 271.401 3.210 20 0 CGADHM O=C(Cc1coc2cc3c(cc12)CCC3)[N-]OC1CCCC1 ZINC000774875893 628046106 /nfs/dbraw/zinc/04/61/06/628046106.db2.gz XMPVCPUJNCKOTD-UHFFFAOYSA-N -1 3 299.370 3.454 20 0 CGADHM COc1ccc(CCCC(=O)[N-]OC2CCCCC2)cc1 ZINC000777948213 628313580 /nfs/dbraw/zinc/31/35/80/628313580.db2.gz ACFIVLSLDQUWKE-UHFFFAOYSA-N -1 3 291.391 3.398 20 0 CGADHM Cc1cccc(OCCC(=O)[N-]OC2CCCCC2)c1C ZINC000777961444 628315230 /nfs/dbraw/zinc/31/52/30/628315230.db2.gz NKPJZGXLHCJLTN-UHFFFAOYSA-N -1 3 291.391 3.453 20 0 CGADHM C[C@@H](OC(=O)c1cnn[n-]1)c1ccc(C(C)(C)C)cc1 ZINC000805603579 628337375 /nfs/dbraw/zinc/33/73/75/628337375.db2.gz LLRCWBBTKPVLOQ-SNVBAGLBSA-N -1 3 273.336 3.020 20 0 CGADHM C[C@@H](OC(=O)c1c[n-]nn1)c1ccc(C(C)(C)C)cc1 ZINC000805603579 628337379 /nfs/dbraw/zinc/33/73/79/628337379.db2.gz LLRCWBBTKPVLOQ-SNVBAGLBSA-N -1 3 273.336 3.020 20 0 CGADHM CC(=O)[C@H](C)CCCCC(=O)[N-]OC1CCCCC1 ZINC000779318765 628407478 /nfs/dbraw/zinc/40/74/78/628407478.db2.gz YPHAHBMFZNAMPQ-GFCCVEGCSA-N -1 3 269.385 3.152 20 0 CGADHM Cc1ccccc1[C@@H](C)OC(=O)c1cncc([O-])c1 ZINC000783622924 628733122 /nfs/dbraw/zinc/73/31/22/628733122.db2.gz ACXLPYKPOPHSSK-LLVKDONJSA-N -1 3 257.289 3.014 20 0 CGADHM O=S(=O)([N-]C12CCC(CC1)C2)c1ccc(Cl)s1 ZINC000784418215 628813543 /nfs/dbraw/zinc/81/35/43/628813543.db2.gz PMERKMZCFWPAFF-UHFFFAOYSA-N -1 3 291.825 3.013 20 0 CGADHM CSC(C)(C)CNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000787098512 628989234 /nfs/dbraw/zinc/98/92/34/628989234.db2.gz VOYAZPPPOPELDV-UHFFFAOYSA-N -1 3 299.411 3.112 20 0 CGADHM CN(Cc1ccccn1)C(=O)c1cc2sccc2c([O-])c1 ZINC000788287872 629045266 /nfs/dbraw/zinc/04/52/66/629045266.db2.gz KHRRPNVQLLUGAR-UHFFFAOYSA-N -1 3 298.367 3.274 20 0 CGADHM [O-]c1ccc(CNC(=S)Nc2ccsc2)cc1F ZINC000790316575 629204831 /nfs/dbraw/zinc/20/48/31/629204831.db2.gz VYFOECNKZYYVCH-UHFFFAOYSA-N -1 3 282.365 3.079 20 0 CGADHM Cc1cc(C)c(/C=C/C(=O)NCc2ncccc2[O-])cc1C ZINC000792611083 629371167 /nfs/dbraw/zinc/37/11/67/629371167.db2.gz GCLLTWIADOHLEN-VOTSOKGWSA-N -1 3 296.370 3.042 20 0 CGADHM C[C@H]1CN(Cc2c(F)ccc([O-])c2F)C[C@H](C)C1(F)F ZINC000862438417 629372389 /nfs/dbraw/zinc/37/23/89/629372389.db2.gz AUJISQDWLPWGFM-IUCAKERBSA-N -1 3 291.288 3.394 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)CC(C)(C)c1ccccc1 ZINC000794840947 629586796 /nfs/dbraw/zinc/58/67/96/629586796.db2.gz BFAMVLZOKBECDE-ZDUSSCGKSA-N -1 3 263.381 3.448 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)Cc1c(C)cc(C)cc1C ZINC000794873493 629593080 /nfs/dbraw/zinc/59/30/80/629593080.db2.gz DAIQJABDDLJLPK-NSHDSACASA-N -1 3 263.381 3.248 20 0 CGADHM CC(C)c1coc([N-]C(=O)c2nc(Cl)cs2)n1 ZINC000875984078 634761621 /nfs/dbraw/zinc/76/16/21/634761621.db2.gz DKPIXLIQXKYHIN-UHFFFAOYSA-N -1 3 271.729 3.160 20 0 CGADHM Cc1cc(=O)[n-]c(CSC[C@H]2CCC(F)(F)C2)n1 ZINC000865279109 630046111 /nfs/dbraw/zinc/04/61/11/630046111.db2.gz RIFUMIDGMDDFSB-VIFPVBQESA-N -1 3 274.336 3.159 20 0 CGADHM COC(=O)c1cnc(SCCCSC(C)(C)C)[n-]1 ZINC000865363184 630074863 /nfs/dbraw/zinc/07/48/63/630074863.db2.gz JBEWUGNIGFSFEJ-UHFFFAOYSA-N -1 3 288.438 3.210 20 0 CGADHM CCC[C@@H](CC)SCc1nc2c(c(=O)[n-]1)COCC2 ZINC000865367666 630078125 /nfs/dbraw/zinc/07/81/25/630078125.db2.gz YDNNNLTVDQHEGW-SNVBAGLBSA-N -1 3 282.409 3.067 20 0 CGADHM CCCOc1ccc(NC([O-])=NO[C@@H]2CCCCO2)cc1 ZINC000120570844 630139479 /nfs/dbraw/zinc/13/94/79/630139479.db2.gz LVKBFRWTILEDKK-CQSZACIVSA-N -1 3 294.351 3.055 20 0 CGADHM CCCOc1ccc(NC(=O)[N-]O[C@@H]2CCCCO2)cc1 ZINC000120570844 630139481 /nfs/dbraw/zinc/13/94/81/630139481.db2.gz LVKBFRWTILEDKK-CQSZACIVSA-N -1 3 294.351 3.055 20 0 CGADHM COc1cccc2cc(C=Cc3nc(C)cc(=O)[n-]3)oc21 ZINC000806574426 630568296 /nfs/dbraw/zinc/56/82/96/630568296.db2.gz PEEAEDKNGPENLH-VOTSOKGWSA-N -1 3 282.299 3.416 20 0 CGADHM CC(C)c1ccc2occ(C(=O)[N-]n3ccccc3=O)c2c1 ZINC000807199050 630585906 /nfs/dbraw/zinc/58/59/06/630585906.db2.gz QOLVKCXSXSWRJQ-UHFFFAOYSA-N -1 3 296.326 3.102 20 0 CGADHM O=C(OCc1cnccn1)c1cc2cc(Cl)sc2[n-]1 ZINC000810590311 630898749 /nfs/dbraw/zinc/89/87/49/630898749.db2.gz JHRRMUFWGAJBJJ-UHFFFAOYSA-N -1 3 293.735 3.030 20 0 CGADHM COCC[C@H](C)OC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000810640639 630915507 /nfs/dbraw/zinc/91/55/07/630915507.db2.gz DCPFUNDXYGUMQL-ZETCQYMHSA-N -1 3 287.768 3.465 20 0 CGADHM O=C(N[C@H]1CCCC1(F)F)c1cc([O-])c2ccccc2c1 ZINC000811530236 631085015 /nfs/dbraw/zinc/08/50/15/631085015.db2.gz YKQKJVARIJQSML-AWEZNQCLSA-N -1 3 291.297 3.463 20 0 CGADHM [O-]c1ccc(F)c(CNc2ccc(Cl)nc2)c1F ZINC000811835446 631125852 /nfs/dbraw/zinc/12/58/52/631125852.db2.gz WOEOHLZAWULXHT-UHFFFAOYSA-N -1 3 270.666 3.331 20 0 CGADHM Cc1ccc2c(CC(=O)[N-]OC/C=C/Cl)coc2c1C ZINC000812398309 631244552 /nfs/dbraw/zinc/24/45/52/631244552.db2.gz YQUXEVDXPJPTBI-ZZXKWVIFSA-N -1 3 293.750 3.392 20 0 CGADHM Cc1ccc(OCCCC(=O)[N-]OC/C=C/Cl)c(C)c1 ZINC000812408554 631248404 /nfs/dbraw/zinc/24/84/04/631248404.db2.gz KJDAMPHDPZWQNE-XBXARRHUSA-N -1 3 297.782 3.263 20 0 CGADHM O=C(CCc1cccc(Cl)c1)[N-]OC/C=C/Cl ZINC000812408935 631248426 /nfs/dbraw/zinc/24/84/26/631248426.db2.gz UWRCYRKTUIKQAR-FARCUNLSSA-N -1 3 274.147 3.073 20 0 CGADHM CCCCc1ccc(CC(=O)[N-]OC2CCC2)cc1 ZINC000812788066 631308075 /nfs/dbraw/zinc/30/80/75/631308075.db2.gz NIJQZMUICZEWKA-UHFFFAOYSA-N -1 3 261.365 3.172 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)Cc1c[nH]c2cccc(Cl)c12 ZINC000814323741 631571184 /nfs/dbraw/zinc/57/11/84/631571184.db2.gz GVOPQKHMLFGTLO-SNVBAGLBSA-N -1 3 294.782 3.458 20 0 CGADHM COCc1ccc(NCc2c(F)ccc([O-])c2F)cc1 ZINC000816592244 632019037 /nfs/dbraw/zinc/01/90/37/632019037.db2.gz DCDBRTQLRZQWNH-UHFFFAOYSA-N -1 3 279.286 3.429 20 0 CGADHM O=C(CCc1ccccc1Cl)[N-]Oc1ccccc1 ZINC000816684629 632042292 /nfs/dbraw/zinc/04/22/92/632042292.db2.gz KFYKEEHZMKQYAS-UHFFFAOYSA-N -1 3 275.735 3.383 20 0 CGADHM O=C([N-]c1nc2ccccc2s1)c1c(F)ccnc1F ZINC000816831706 632054364 /nfs/dbraw/zinc/05/43/64/632054364.db2.gz DFTJSLOUGDTWHZ-UHFFFAOYSA-N -1 3 291.282 3.222 20 0 CGADHM O=C(/C=C/COc1ccccc1)Nc1cc(F)ccc1[O-] ZINC000816943570 632063515 /nfs/dbraw/zinc/06/35/15/632063515.db2.gz CZZGVWIYOVXTCE-QPJJXVBHSA-N -1 3 287.290 3.105 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)[C@H](C)Cn1ccc2ccccc21 ZINC000816975698 632065707 /nfs/dbraw/zinc/06/57/07/632065707.db2.gz MQJPZTYAMUWEIV-ZIAGYGMSSA-N -1 3 288.391 3.371 20 0 CGADHM O=C([N-]OCC1CC1)C1(Cc2ccc(Cl)cc2)CC1 ZINC000817330279 632123872 /nfs/dbraw/zinc/12/38/72/632123872.db2.gz KDFMXJYDKKIXAO-UHFFFAOYSA-N -1 3 279.767 3.121 20 0 CGADHM CC[C@@H](CC(=O)[N-]OCC1CC1)c1ccc(C)cc1 ZINC000817349903 632129657 /nfs/dbraw/zinc/12/96/57/632129657.db2.gz LVTIPDLMEPODAZ-AWEZNQCLSA-N -1 3 261.365 3.337 20 0 CGADHM CCC(C)(C)[C@H]1CCCN1C(=O)c1ccc(N)cc1[O-] ZINC000817997509 632276189 /nfs/dbraw/zinc/27/61/89/632276189.db2.gz PZSRSMGNVOECLS-CQSZACIVSA-N -1 3 276.380 3.015 20 0 CGADHM C[C@@H]1CN(C(=O)c2cc3sccc3c([O-])c2)[C@@H]1C ZINC000818471967 632322305 /nfs/dbraw/zinc/32/23/05/632322305.db2.gz GCWWRMITSACHFS-RKDXNWHRSA-N -1 3 261.346 3.087 20 0 CGADHM Cc1ccc([C@H](C)NC(=O)Cc2ccc([O-])c(F)c2)s1 ZINC000822716861 633011179 /nfs/dbraw/zinc/01/11/79/633011179.db2.gz SZEFGFBLQNDMJO-JTQLQIEISA-N -1 3 293.363 3.321 20 0 CGADHM CCCO[N-]C(=O)C1(CCCOCc2ccccc2)CC1 ZINC000823608375 633126814 /nfs/dbraw/zinc/12/68/14/633126814.db2.gz JDSKVTYWJJYYHE-UHFFFAOYSA-N -1 3 291.391 3.221 20 0 CGADHM C[C@]1(CNCc2c(F)ccc([O-])c2F)CC1(Cl)Cl ZINC000824773019 633286917 /nfs/dbraw/zinc/28/69/17/633286917.db2.gz IVRKSLJTFHXKHK-LLVKDONJSA-N -1 3 296.144 3.344 20 0 CGADHM CC(=O)c1cccc(NC(=O)[C@@]23C[C@@H]2CCCC3)c1[O-] ZINC000868346410 633317094 /nfs/dbraw/zinc/31/70/94/633317094.db2.gz CYXQAPALADSNHP-ZBEGNZNMSA-N -1 3 273.332 3.114 20 0 CGADHM C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)Nc1c([O-])cccc1Cl ZINC000868565613 633336671 /nfs/dbraw/zinc/33/66/71/633336671.db2.gz BTCPCAYHVJLWGH-XFWSIPNHSA-N -1 3 265.740 3.276 20 0 CGADHM CC(=O)[C@@H](OC(=O)c1cc(Cl)c(Cl)[n-]1)C(C)C ZINC000828683851 633641910 /nfs/dbraw/zinc/64/19/10/633641910.db2.gz PNWURYLVUIKNDE-VIFPVBQESA-N -1 3 278.135 3.092 20 0 CGADHM CC[C@@H](C)N(OC)C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000830473689 633865614 /nfs/dbraw/zinc/86/56/14/633865614.db2.gz HKQYRPUDMDPURG-LLVKDONJSA-N -1 3 277.364 3.073 20 0 CGADHM CC/C=C\CCO[N-]C(=O)CCc1ccc(OC)cc1 ZINC000871798290 633869980 /nfs/dbraw/zinc/86/99/80/633869980.db2.gz SIOVFKDPQOOCMI-PLNGDYQASA-N -1 3 277.364 3.032 20 0 CGADHM C[C@@H](N[C@@H](C)c1ccccn1)c1cccc([O-])c1F ZINC000872017148 633936945 /nfs/dbraw/zinc/93/69/45/633936945.db2.gz VGNMMEPXLVUKII-MNOVXSKESA-N -1 3 260.312 3.338 20 0 CGADHM C[C@@H](O)[C@H](N[C@@H](C)c1cccc([O-])c1F)c1ccccc1 ZINC000872087045 634013496 /nfs/dbraw/zinc/01/34/96/634013496.db2.gz ANPUYFVJCBLILP-JKDFXYPNSA-N -1 3 289.350 3.304 20 0 CGADHM CSc1ccc([O-])c(C(=O)NC23CCC(CC2)C3)c1 ZINC000832059607 634025902 /nfs/dbraw/zinc/02/59/02/634025902.db2.gz YWRPRNYQMIBQKP-UHFFFAOYSA-N -1 3 277.389 3.177 20 0 CGADHM CCc1ccc(C(=O)N2CCC(F)(C3CC3)CC2)c([O-])c1 ZINC000834570682 634184837 /nfs/dbraw/zinc/18/48/37/634184837.db2.gz QEHOGAXXYOMDEC-UHFFFAOYSA-N -1 3 291.366 3.309 20 0 CGADHM Cc1ccc(CO[N-]C(=O)CC(C)(C)C)c(Cl)n1 ZINC000842062176 635271554 /nfs/dbraw/zinc/27/15/54/635271554.db2.gz ZQTDTLBRUJRURY-UHFFFAOYSA-N -1 3 270.760 3.027 20 0 CGADHM CCCCSCC(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000843886321 635792204 /nfs/dbraw/zinc/79/22/04/635792204.db2.gz MXVRRIOJOUTLMK-UHFFFAOYSA-N -1 3 281.377 3.067 20 0 CGADHM Cc1cc2c(CC(=O)[N-]OCC(F)F)csc2s1 ZINC000867408922 636167713 /nfs/dbraw/zinc/16/77/13/636167713.db2.gz LUIRQLUKLQKJBK-UHFFFAOYSA-N -1 3 291.344 3.127 20 0 CGADHM C/C(=C\CN1CCc2ccc(C(C)(C)C)cc2C1)C(=O)[O-] ZINC000846253806 636167893 /nfs/dbraw/zinc/16/78/93/636167893.db2.gz HAEGMFVPOWBVCI-NTUHNPAUSA-N -1 3 287.403 3.373 20 0 CGADHM CC(C)CO[N-]C(=O)C[C@H]1OCc2cc(Cl)ccc21 ZINC000847604879 636402279 /nfs/dbraw/zinc/40/22/79/636402279.db2.gz XJFUJTYNYHFSLT-CYBMUJFWSA-N -1 3 283.755 3.005 20 0 CGADHM O=C(c1cc([O-])c2ccccc2c1)N1CC2(CC2(F)F)C1 ZINC000848259911 636548268 /nfs/dbraw/zinc/54/82/68/636548268.db2.gz XEGSBFSCRVDQDT-UHFFFAOYSA-N -1 3 289.281 3.027 20 0 CGADHM O=c1ccnc(C=Cc2cccc(OC3CCCC3)c2)[n-]1 ZINC000131819699 636754828 /nfs/dbraw/zinc/75/48/28/636754828.db2.gz JGRIWQKFMQNOMJ-CMDGGOBGSA-N -1 3 282.343 3.262 20 0 CGADHM CC[C@@H](COC(=O)Cc1ccc([O-])c(F)c1)CC(F)F ZINC000849796130 636877913 /nfs/dbraw/zinc/87/79/13/636877913.db2.gz QXIAVCDBMOUGPK-SECBINFHSA-N -1 3 290.281 3.298 20 0 CGADHM Cc1ccc(-c2cc(C(=O)OC[C@H]3CCC3(F)F)n[n-]2)o1 ZINC000851314875 637347137 /nfs/dbraw/zinc/34/71/37/637347137.db2.gz HPKPPUQYDHTBRE-SECBINFHSA-N -1 3 296.273 3.180 20 0 CGADHM Cc1ccc(-c2cc(C(=O)OC[C@H]3CCC3(F)F)[n-]n2)o1 ZINC000851314875 637347142 /nfs/dbraw/zinc/34/71/42/637347142.db2.gz HPKPPUQYDHTBRE-SECBINFHSA-N -1 3 296.273 3.180 20 0 CGADHM O=[S@](CC[C@H]1CCCC1(F)F)c1ccc([O-])cc1 ZINC000887364582 637804416 /nfs/dbraw/zinc/80/44/16/637804416.db2.gz NVZKXLNSPQCWFX-MLCYQJTMSA-N -1 3 274.332 3.325 20 0 CGADHM Cc1cc(=O)[n-]c(CSCC=C(Cl)Cl)n1 ZINC000853771302 637916470 /nfs/dbraw/zinc/91/64/70/637916470.db2.gz WWZPUTZZXOAJCX-UHFFFAOYSA-N -1 3 265.165 3.043 20 0 CGADHM Cc1cc(-c2ccc(=O)[n-]c2F)cc2c1NC(=O)C2(C)C ZINC000854189623 638013141 /nfs/dbraw/zinc/01/31/41/638013141.db2.gz OOWRYQWMPAQWOY-UHFFFAOYSA-N -1 3 286.306 3.131 20 0 CGADHM Cc1cc(F)ccc1C[C@H](C)[N-]C(=O)C(F)(F)C(F)F ZINC000855283479 638165201 /nfs/dbraw/zinc/16/52/01/638165201.db2.gz ZLFVFEMMPOPWBF-QMMMGPOBSA-N -1 3 295.251 3.082 20 0 CGADHM CC1(C)CCC[C@H](CNC(=O)c2cc([O-])ccc2Cl)O1 ZINC000890126351 638165848 /nfs/dbraw/zinc/16/58/48/638165848.db2.gz CQQRGWXJKYJZQW-LLVKDONJSA-N -1 3 297.782 3.123 20 0 CGADHM CC1(C)OCC[C@H]1CNC(=O)c1cc([O-])c2ccccc2c1 ZINC000856263540 638329692 /nfs/dbraw/zinc/32/96/92/638329692.db2.gz NLUDVPQXEMEXKN-AWEZNQCLSA-N -1 3 299.370 3.090 20 0 CGADHM CCCC[C@H](C(=O)[N-]O[C@H]1CCCCO1)C(C)C ZINC000857089712 638456589 /nfs/dbraw/zinc/45/65/89/638456589.db2.gz BSEXLMKIUJNJGW-STQMWFEESA-N -1 3 257.374 3.023 20 0 CGADHM COc1ccccc1C(F)(F)C(=O)[N-]c1onc(C)c1C ZINC000857138853 638460648 /nfs/dbraw/zinc/46/06/48/638460648.db2.gz WFJJFHPKFKZBEX-UHFFFAOYSA-N -1 3 296.273 3.031 20 0 CGADHM COc1ccc2c(c1)CCCN2C(=O)c1c(C)cccc1[O-] ZINC000858260513 638666946 /nfs/dbraw/zinc/66/69/46/638666946.db2.gz IUTPIVLHTICSAD-UHFFFAOYSA-N -1 3 297.354 3.302 20 0 CGADHM C[C@@H](N[C@H](c1ncccn1)C1CC1)c1cc([O-])cc(F)c1 ZINC000926894972 638822385 /nfs/dbraw/zinc/82/23/85/638822385.db2.gz RPUXTJTULNPBLL-BMIGLBTASA-N -1 3 287.338 3.123 20 0 CGADHM CSc1nc(NC(=O)c2ccc(CC(C)C)s2)n[n-]1 ZINC000931202017 639122708 /nfs/dbraw/zinc/12/27/08/639122708.db2.gz AXRAHPVKFGZUGU-UHFFFAOYSA-N -1 3 296.421 3.039 20 0 CGADHM CC[C@H](NCc1nc(C)cc(=O)[n-]1)c1cc(C)ccc1C ZINC000859936313 639257543 /nfs/dbraw/zinc/25/75/43/639257543.db2.gz PJAQTVGTZCPYPM-HNNXBMFYSA-N -1 3 285.391 3.348 20 0 CGADHM Cc1ccc(N(CC(C)C)C(=O)c2cc(=O)[n-]cn2)c(C)c1 ZINC000862119888 639648415 /nfs/dbraw/zinc/64/84/15/639648415.db2.gz SBDJTYFXNMRTJT-UHFFFAOYSA-N -1 3 299.374 3.102 20 0 CGADHM CC(C)[C@@H]1C[C@@H](C(=O)Nc2ccc(Cl)cc2[O-])CCO1 ZINC000935101164 639748417 /nfs/dbraw/zinc/74/84/17/639748417.db2.gz VTOZASFTTCZOKC-HZMBPMFUSA-N -1 3 297.782 3.435 20 0 CGADHM CC(C)(C)CCSCCC[N-]C(=O)C(F)(F)F ZINC000187558496 640044619 /nfs/dbraw/zinc/04/46/19/640044619.db2.gz ULPDHRGSPVOZMQ-UHFFFAOYSA-N -1 3 271.348 3.224 20 0 CGADHM COc1ccc(/C=C/C(=O)c2ccc([O-])c(C)c2)cc1O ZINC000077166039 640226768 /nfs/dbraw/zinc/22/67/68/640226768.db2.gz WWMWYHSWHIBGPB-ZZXKWVIFSA-N -1 3 284.311 3.311 20 0 CGADHM Cc1cccc(CNCc2c([O-])ccc(Cl)c2F)n1 ZINC000190804562 640267413 /nfs/dbraw/zinc/26/74/13/640267413.db2.gz HJUCHGYBSGJBAO-UHFFFAOYSA-N -1 3 280.730 3.178 20 0 CGADHM COCC1CCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000191326652 640303048 /nfs/dbraw/zinc/30/30/48/640303048.db2.gz PMZJSYHURQAPOQ-UHFFFAOYSA-N -1 3 287.762 3.043 20 0 CGADHM COCc1ccc(NC(=O)c2cc(C)ccc2[O-])cc1 ZINC000195251379 640575696 /nfs/dbraw/zinc/57/56/96/640575696.db2.gz LHDUJEMQTGIKEO-UHFFFAOYSA-N -1 3 271.316 3.099 20 0 CGADHM C[C@H](NCc1cc(C(=O)[O-])cs1)c1ccsc1 ZINC000095005273 640807957 /nfs/dbraw/zinc/80/79/57/640807957.db2.gz HUKNBPZPTJXGNU-QMMMGPOBSA-N -1 3 267.375 3.359 20 0 CGADHM O=c1ccc(-c2nc3c(cc(F)cc3C(F)(F)F)[n-]2)c[nH]1 ZINC001250528199 805677142 /nfs/dbraw/zinc/67/71/42/805677142.db2.gz LEBHNLYDVZDMNQ-UHFFFAOYSA-N -1 3 297.211 3.488 20 0 CGADHM O=c1ccc(-c2nc3cc(F)cc(C(F)(F)F)c3[n-]2)c[nH]1 ZINC001250528199 805677145 /nfs/dbraw/zinc/67/71/45/805677145.db2.gz LEBHNLYDVZDMNQ-UHFFFAOYSA-N -1 3 297.211 3.488 20 0 CGADHM CCc1cnc([N-]C(=O)c2snc(Cl)c2Cl)o1 ZINC001157538505 805829063 /nfs/dbraw/zinc/82/90/63/805829063.db2.gz LYZMYODNCGLJLP-UHFFFAOYSA-N -1 3 292.147 3.253 20 0 CGADHM COc1ccc2c(C)cc(NCc3ncccc3[O-])nc2c1 ZINC001158774555 806001864 /nfs/dbraw/zinc/00/18/64/806001864.db2.gz NSGBXZUELXRKHT-UHFFFAOYSA-N -1 3 295.342 3.265 20 0 CGADHM CCc1nc(Cl)c(NCc2ncccc2[O-])c(Cl)n1 ZINC001158773896 806002233 /nfs/dbraw/zinc/00/22/33/806002233.db2.gz FMSXWMXYYPLUNF-UHFFFAOYSA-N -1 3 299.161 3.059 20 0 CGADHM Cc1cccc2c1ccnc2NCc1ncccc1[O-] ZINC001158774830 806002688 /nfs/dbraw/zinc/00/26/88/806002688.db2.gz RNULRWUENMJEIA-UHFFFAOYSA-N -1 3 265.316 3.256 20 0 CGADHM CSc1ccc([O-])c(C(=O)N[C@@H]2C[C@H]3CCC[C@H]32)c1 ZINC001158945681 806025401 /nfs/dbraw/zinc/02/54/01/806025401.db2.gz GMRRCYKIFFVWIN-IRUJWGPZSA-N -1 3 277.389 3.033 20 0 CGADHM COc1cncc(C(=O)Nc2c([O-])cccc2Cl)c1C ZINC001159658459 806142032 /nfs/dbraw/zinc/14/20/32/806142032.db2.gz TZXYPZRCFMCDTJ-UHFFFAOYSA-N -1 3 292.722 3.010 20 0 CGADHM O=C(Nc1c([O-])cccc1Cl)c1nncc2ccccc21 ZINC001159658875 806142505 /nfs/dbraw/zinc/14/25/05/806142505.db2.gz YLNOXYGCTGXHFY-UHFFFAOYSA-N -1 3 299.717 3.241 20 0 CGADHM CCS(=O)(=O)[N-]c1c(F)cccc1OCC(C)(C)C ZINC001253366781 806209733 /nfs/dbraw/zinc/20/97/33/806209733.db2.gz IRMSZNVFCNDXMQ-UHFFFAOYSA-N -1 3 289.372 3.012 20 0 CGADHM Clc1cc(-c2nnc(-c3cccc(Cl)c3)o2)[n-]n1 ZINC001253788831 806311626 /nfs/dbraw/zinc/31/16/26/806311626.db2.gz QVYASOSFYGFDTD-UHFFFAOYSA-N -1 3 281.102 3.434 20 0 CGADHM [O-]c1ccc(-c2nnc([C@H]3C[C@H]3c3ccccc3)o2)nc1 ZINC001254511591 806431200 /nfs/dbraw/zinc/43/12/00/806431200.db2.gz CTCAAQUCDSFYKQ-STQMWFEESA-N -1 3 279.299 3.108 20 0 CGADHM Cc1ncc(CNc2[n-]c(=O)c(Cl)cc2Cl)s1 ZINC001162154402 806516028 /nfs/dbraw/zinc/51/60/28/806516028.db2.gz BHFAQFKBGQEFPI-UHFFFAOYSA-N -1 3 290.175 3.471 20 0 CGADHM CCCCC[C@@H](C)NC(=O)c1ccc(OC)cc1[O-] ZINC000025346175 798839361 /nfs/dbraw/zinc/83/93/61/798839361.db2.gz QYYGOJDTVUANGC-LLVKDONJSA-N -1 3 265.353 3.099 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2ccc(O)cc2Cl)c1 ZINC000085205007 798943180 /nfs/dbraw/zinc/94/31/80/798943180.db2.gz LMYJIYAHDIZKTO-UHFFFAOYSA-N -1 3 277.707 3.312 20 0 CGADHM O=C([O-])c1ccccc1CN1CCC[C@@H](C(F)(F)F)C1 ZINC000088431547 798948216 /nfs/dbraw/zinc/94/82/16/798948216.db2.gz CPBZSQSLCFDYTJ-LLVKDONJSA-N -1 3 287.281 3.159 20 0 CGADHM Cc1ccncc1NCc1cccc([O-])c1Br ZINC000315509481 799237551 /nfs/dbraw/zinc/23/75/51/799237551.db2.gz ZDZNMSLGKNNQIN-UHFFFAOYSA-N -1 3 293.164 3.470 20 0 CGADHM Cc1sccc1CN1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000380503013 799363674 /nfs/dbraw/zinc/36/36/74/799363674.db2.gz DSBCAQSTYQPCGG-OAHLLOKOSA-N -1 3 287.384 3.241 20 0 CGADHM CCOc1cccc(-c2noc(-c3cc(O)ccc3[O-])n2)c1 ZINC000389472030 799462251 /nfs/dbraw/zinc/46/22/51/799462251.db2.gz MKOIXUCYPFWWEE-UHFFFAOYSA-N -1 3 298.298 3.214 20 0 CGADHM CCc1nc(CNC/C=C/c2ccccc2)ccc1C(=O)[O-] ZINC001255787229 806750689 /nfs/dbraw/zinc/75/06/89/806750689.db2.gz XIBJJBYQLKRKBY-RMKNXTFCSA-N -1 3 296.370 3.145 20 0 CGADHM CCC[C@@H]1CCCN(C(=O)c2c([O-])cccc2OC)C1 ZINC000708447828 799988903 /nfs/dbraw/zinc/98/89/03/799988903.db2.gz JDZWGIKKUVMMSG-GFCCVEGCSA-N -1 3 277.364 3.053 20 0 CGADHM CC(F)(F)CCCN1CCc2c(cccc2C(=O)[O-])C1 ZINC000718598037 800218508 /nfs/dbraw/zinc/21/85/08/800218508.db2.gz FELNDZABKCYUOL-UHFFFAOYSA-N -1 3 283.318 3.178 20 0 CGADHM C[C@@H]1CN(Cc2ccc(F)cc2Cl)C[C@H]1CC(=O)[O-] ZINC000722604430 800323942 /nfs/dbraw/zinc/32/39/42/800323942.db2.gz QWZSEPKBCAXPOG-MWLCHTKSSA-N -1 3 285.746 3.022 20 0 CGADHM COCC1(COC(=O)c2cccc(Cl)c2[O-])CCC1 ZINC000812591952 800450611 /nfs/dbraw/zinc/45/06/11/800450611.db2.gz ZWYWZDBETMCGJJ-UHFFFAOYSA-N -1 3 284.739 3.019 20 0 CGADHM CC(C)c1ccc(C(=O)N(C)C[Si](C)(C)C)c([O-])c1 ZINC001164220626 806917842 /nfs/dbraw/zinc/91/78/42/806917842.db2.gz CBCVEIYSHWYGES-UHFFFAOYSA-N -1 3 279.456 3.465 20 0 CGADHM Cc1ccc2ccc(NCCCc3c[n-][nH]c3=O)cc2c1 ZINC001164395905 806944010 /nfs/dbraw/zinc/94/40/10/806944010.db2.gz NQVCLSZNWJMVKV-CQSZACIVSA-N -1 3 281.359 3.072 20 0 CGADHM Cc1cnc2ccccc2c1N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC001118176764 802534663 /nfs/dbraw/zinc/53/46/63/802534663.db2.gz IBKFLRSEKNVGOF-RISCZKNCSA-N -1 3 284.359 3.090 20 0 CGADHM Cc1c(F)nccc1-c1cc(C(F)(F)F)[n-]c(=S)n1 ZINC001243775600 802994605 /nfs/dbraw/zinc/99/46/05/802994605.db2.gz KYWOGKPWFWDHSL-UHFFFAOYSA-N -1 3 289.257 3.294 20 0 CGADHM Cc1cnc(F)cc1-c1cc(C(F)(F)F)[n-]c(=S)n1 ZINC001243783870 803002443 /nfs/dbraw/zinc/00/24/43/803002443.db2.gz LKSAIVFKGPSKFE-UHFFFAOYSA-N -1 3 289.257 3.294 20 0 CGADHM Clc1ccc(-c2cccc(-c3nnn[n-]3)c2)c2c[nH]nc21 ZINC001243783774 803002748 /nfs/dbraw/zinc/00/27/48/803002748.db2.gz IHZOVHLJYRQUKP-UHFFFAOYSA-N -1 3 296.721 3.063 20 0 CGADHM Clc1ccc(-c2cccc(-c3nn[n-]n3)c2)c2c[nH]nc21 ZINC001243783774 803002756 /nfs/dbraw/zinc/00/27/56/803002756.db2.gz IHZOVHLJYRQUKP-UHFFFAOYSA-N -1 3 296.721 3.063 20 0 CGADHM Fc1cc(F)c(Cl)c(-c2ccc(-c3nnn[n-]3)cc2)c1 ZINC001243844806 803043219 /nfs/dbraw/zinc/04/32/19/803043219.db2.gz YGMUXHMPFHVFOZ-UHFFFAOYSA-N -1 3 292.676 3.465 20 0 CGADHM Fc1cc(F)c(Cl)c(-c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001243844806 803043226 /nfs/dbraw/zinc/04/32/26/803043226.db2.gz YGMUXHMPFHVFOZ-UHFFFAOYSA-N -1 3 292.676 3.465 20 0 CGADHM O=C([N-]c1nnc(C(F)F)s1)c1ccsc1Cl ZINC001125395317 803059904 /nfs/dbraw/zinc/05/99/04/803059904.db2.gz SPYSNLLHMQHSAN-UHFFFAOYSA-N -1 3 295.723 3.443 20 0 CGADHM CC(C)(C)c1cc(-c2ccc(F)c(-c3nnn[n-]3)c2)ccn1 ZINC001244023428 803146392 /nfs/dbraw/zinc/14/63/92/803146392.db2.gz LVNSDMAJCCREFI-UHFFFAOYSA-N -1 3 297.337 3.365 20 0 CGADHM CC(C)(C)c1cc(-c2ccc(F)c(-c3nn[n-]n3)c2)ccn1 ZINC001244023428 803146394 /nfs/dbraw/zinc/14/63/94/803146394.db2.gz LVNSDMAJCCREFI-UHFFFAOYSA-N -1 3 297.337 3.365 20 0 CGADHM COc1cc(-c2c([O-])cccc2Cl)cnc1OC ZINC001244032968 803151972 /nfs/dbraw/zinc/15/19/72/803151972.db2.gz GPYHGSNYMQHEIX-UHFFFAOYSA-N -1 3 265.696 3.125 20 0 CGADHM Fc1ccc(-c2cccc(-c3nnn[n-]3)c2)c(F)c1Cl ZINC001244039763 803155374 /nfs/dbraw/zinc/15/53/74/803155374.db2.gz SNQNDAIVPCMJQY-UHFFFAOYSA-N -1 3 292.676 3.465 20 0 CGADHM Fc1ccc(-c2cccc(-c3nn[n-]n3)c2)c(F)c1Cl ZINC001244039763 803155377 /nfs/dbraw/zinc/15/53/77/803155377.db2.gz SNQNDAIVPCMJQY-UHFFFAOYSA-N -1 3 292.676 3.465 20 0 CGADHM O=c1cc(-c2c([O-])cccc2Cl)ccn1-c1ccccn1 ZINC001244046836 803159573 /nfs/dbraw/zinc/15/95/73/803159573.db2.gz CPTKICCQLGUVFR-UHFFFAOYSA-N -1 3 298.729 3.259 20 0 CGADHM COCc1ccccc1OC(=O)c1cccc(Cl)c1[O-] ZINC001129644153 803245463 /nfs/dbraw/zinc/24/54/63/803245463.db2.gz BJQKWHASSHBLID-UHFFFAOYSA-N -1 3 292.718 3.411 20 0 CGADHM O=C([N-]c1ccnc(F)c1F)c1ccc(F)c(F)c1F ZINC001131428845 803324934 /nfs/dbraw/zinc/32/49/34/803324934.db2.gz LQFLRPCGCNUPLO-UHFFFAOYSA-N -1 3 288.175 3.029 20 0 CGADHM Cc1cc(C)c(-c2cc(OC(F)(F)F)ccc2[O-])nn1 ZINC001244455362 803377677 /nfs/dbraw/zinc/37/76/77/803377677.db2.gz GFIORNXCWSOAAE-UHFFFAOYSA-N -1 3 284.237 3.365 20 0 CGADHM CN1Cc2c(cccc2-c2ccc(Cl)cc2[O-])C1=O ZINC001244469381 803385418 /nfs/dbraw/zinc/38/54/18/803385418.db2.gz JMUUYCVKWBSNLJ-UHFFFAOYSA-N -1 3 273.719 3.298 20 0 CGADHM CCOC(=O)Cc1ccc(-c2ccc(Cl)cc2[O-])cn1 ZINC001244469193 803385749 /nfs/dbraw/zinc/38/57/49/803385749.db2.gz FTLMTITTXPTDHX-UHFFFAOYSA-N -1 3 291.734 3.213 20 0 CGADHM COc1cncc(OC)c1-c1ccc(Cl)cc1[O-] ZINC001244470249 803387299 /nfs/dbraw/zinc/38/72/99/803387299.db2.gz XKUQZZLQGJTMNS-UHFFFAOYSA-N -1 3 265.696 3.125 20 0 CGADHM O=c1ccc(-c2ccc(Cl)cc2[O-])cn1-c1ccccn1 ZINC001244470923 803387949 /nfs/dbraw/zinc/38/79/49/803387949.db2.gz BYUSZYSTCWDQRK-UHFFFAOYSA-N -1 3 298.729 3.259 20 0 CGADHM c1csc([N-]c2csc(-c3ccncc3)n2)n1 ZINC001210990462 814701396 /nfs/dbraw/zinc/70/13/96/814701396.db2.gz UKBZWBNJWZHFJR-UHFFFAOYSA-N -1 3 260.347 3.405 20 0 CGADHM Cc1cc(-c2nccc(OC(C)C)n2)cc([O-])c1F ZINC001244506353 803409895 /nfs/dbraw/zinc/40/98/95/803409895.db2.gz NTZKVIRSSVDUDL-UHFFFAOYSA-N -1 3 262.284 3.084 20 0 CGADHM COc1ccc2nc(-c3cc(C)c(F)c([O-])c3)cnc2c1 ZINC001244505771 803409943 /nfs/dbraw/zinc/40/99/43/803409943.db2.gz JSIHRTAMZHKWIJ-UHFFFAOYSA-N -1 3 284.290 3.459 20 0 CGADHM Cc1cc(-c2cc(C(C)C)nc(N(C)C)n2)cc([O-])c1F ZINC001244505880 803410209 /nfs/dbraw/zinc/41/02/09/803410209.db2.gz DXRJELRWRUWFKJ-UHFFFAOYSA-N -1 3 289.354 3.486 20 0 CGADHM Cc1nc2c(ccn2C)c(-c2cc(C)c(F)c([O-])c2)n1 ZINC001244506956 803411443 /nfs/dbraw/zinc/41/14/43/803411443.db2.gz JPWWAAMWLJPRIA-UHFFFAOYSA-N -1 3 271.295 3.097 20 0 CGADHM Cc1cc(-c2nc(C)nc3cccnc32)cc([O-])c1F ZINC001244508815 803411545 /nfs/dbraw/zinc/41/15/45/803411545.db2.gz XWUHCJZNHXIRTA-UHFFFAOYSA-N -1 3 269.279 3.153 20 0 CGADHM Cc1cc(-c2ncnc3[nH]c(C(C)C)nc32)cc([O-])c1F ZINC001244508150 803411605 /nfs/dbraw/zinc/41/16/05/803411605.db2.gz ORNFEUOKSGXYBP-UHFFFAOYSA-N -1 3 286.310 3.296 20 0 CGADHM Cc1noc(-c2ccc(-c3cc(C)c(F)c([O-])c3)nc2)n1 ZINC001244508364 803412034 /nfs/dbraw/zinc/41/20/34/803412034.db2.gz RFFVGCRAASDPQZ-UHFFFAOYSA-N -1 3 285.278 3.260 20 0 CGADHM Cc1cc(-c2ccc3c(c2)NC(=O)CC3)cc([O-])c1F ZINC001244516699 803414182 /nfs/dbraw/zinc/41/41/82/803414182.db2.gz BXUWBRJJUZCPBI-UHFFFAOYSA-N -1 3 271.291 3.391 20 0 CGADHM CSc1ncc(-c2cc(C)c(F)c([O-])c2)cn1 ZINC001244516616 803414322 /nfs/dbraw/zinc/41/43/22/803414322.db2.gz YKXDCCDCADZENP-UHFFFAOYSA-N -1 3 250.298 3.019 20 0 CGADHM COc1cnc(F)c(-c2cc(C)c(F)c([O-])c2)c1 ZINC001244519333 803414993 /nfs/dbraw/zinc/41/49/93/803414993.db2.gz YUKJPSXNOGLGQD-UHFFFAOYSA-N -1 3 251.232 3.049 20 0 CGADHM CCOC(=O)c1cncc(-c2cc(C)c(F)c([O-])c2)c1 ZINC001244519045 803415338 /nfs/dbraw/zinc/41/53/38/803415338.db2.gz VVYVOGFWCQMJMH-UHFFFAOYSA-N -1 3 275.279 3.078 20 0 CGADHM Cc1cc(-c2cccc3c2N(C)C(=O)NC3)cc([O-])c1F ZINC001244525183 803418352 /nfs/dbraw/zinc/41/83/52/803418352.db2.gz LMSXWMJKGKDLAQ-UHFFFAOYSA-N -1 3 286.306 3.166 20 0 CGADHM Cc1cc(-c2cc(O[C@@H]3CCOC3)ccn2)cc([O-])c1F ZINC001244525886 803419136 /nfs/dbraw/zinc/41/91/36/803419136.db2.gz VDWMZUIQHATMHQ-CYBMUJFWSA-N -1 3 289.306 3.069 20 0 CGADHM Cc1cc(-c2cnc(OCC3CC3)cn2)cc([O-])c1F ZINC001244526356 803419406 /nfs/dbraw/zinc/41/94/06/803419406.db2.gz YTMSDDQNUVKOQW-UHFFFAOYSA-N -1 3 274.295 3.086 20 0 CGADHM Cc1cc(-c2cc3nc[nH]c3cn2)cc(Cl)c1[O-] ZINC001244531572 803423166 /nfs/dbraw/zinc/42/31/66/803423166.db2.gz MLEJGDKGRVHBDB-UHFFFAOYSA-N -1 3 259.696 3.292 20 0 CGADHM Cc1cc(-c2ccc3c(c2)CNC3=O)cc(Cl)c1[O-] ZINC001244537221 803423567 /nfs/dbraw/zinc/42/35/67/803423567.db2.gz JTUISYNAQAFREK-UHFFFAOYSA-N -1 3 273.719 3.264 20 0 CGADHM Cc1cc(-c2cccnc2N(C)C)cc(Cl)c1[O-] ZINC001244550739 803434315 /nfs/dbraw/zinc/43/43/15/803434315.db2.gz KEYSCILHPSKVSI-UHFFFAOYSA-N -1 3 262.740 3.482 20 0 CGADHM CC(C)c1nsc([N-]C(=O)c2cc3ncccc3o2)n1 ZINC001133192539 803460616 /nfs/dbraw/zinc/46/06/16/803460616.db2.gz JRKQFPTUEYZDFF-UHFFFAOYSA-N -1 3 288.332 3.055 20 0 CGADHM CC(=O)c1ccc(C(=O)[N-]c2cc(C(C)(C)F)on2)s1 ZINC001135374136 803591453 /nfs/dbraw/zinc/59/14/53/803591453.db2.gz ZSRVWVZDTSLOSW-UHFFFAOYSA-N -1 3 296.323 3.396 20 0 CGADHM [O-]c1ccc(-c2ncc3ncsc3n2)c(Cl)c1 ZINC001245077545 803634266 /nfs/dbraw/zinc/63/42/66/803634266.db2.gz BNBYBJRVZZXNBJ-UHFFFAOYSA-N -1 3 263.709 3.112 20 0 CGADHM [O-]c1ccc(-c2cncc(N3CCCC3)n2)c(Cl)c1 ZINC001245079384 803634623 /nfs/dbraw/zinc/63/46/23/803634623.db2.gz RUTNIJWDOJRRHV-UHFFFAOYSA-N -1 3 275.739 3.103 20 0 CGADHM [O-]c1ccc(-c2nccc(C(F)F)n2)c(Cl)c1 ZINC001245078962 803635020 /nfs/dbraw/zinc/63/50/20/803635020.db2.gz NUADVMOSBHLULG-UHFFFAOYSA-N -1 3 256.639 3.440 20 0 CGADHM CCN(C)c1nc(-c2ccc([O-])cc2Cl)ncc1C ZINC001245080604 803635895 /nfs/dbraw/zinc/63/58/95/803635895.db2.gz LDJDELBNRZXPEU-UHFFFAOYSA-N -1 3 277.755 3.267 20 0 CGADHM COC(=O)c1cc(-c2ccc([O-])cc2Cl)ncc1F ZINC001245082691 803637413 /nfs/dbraw/zinc/63/74/13/803637413.db2.gz YSVLRMMNBNCONV-UHFFFAOYSA-N -1 3 281.670 3.033 20 0 CGADHM [S-]c1ccc(C2=CC[C@@H](N3CCOCC3)CC2)cc1 ZINC001245425617 803733680 /nfs/dbraw/zinc/73/36/80/803733680.db2.gz PUDMXVXQEYXEJZ-OAHLLOKOSA-N -1 3 275.417 3.243 20 0 CGADHM C[C@@]1(NC(=O)c2ccccc2[O-])CCCc2ccccc21 ZINC001137762612 803769889 /nfs/dbraw/zinc/76/98/89/803769889.db2.gz JQOLVGPRGJJGMJ-GOSISDBHSA-N -1 3 281.355 3.374 20 0 CGADHM Cc1cnc(Nc2ccc([O-])c(F)c2F)c(Cl)n1 ZINC001212000409 814964793 /nfs/dbraw/zinc/96/47/93/814964793.db2.gz YUSQSOLWGFHYTE-UHFFFAOYSA-N -1 3 271.654 3.166 20 0 CGADHM [O-]c1ccc(Nc2ccc(C3OCCO3)cc2)c(F)c1F ZINC001212009514 814966533 /nfs/dbraw/zinc/96/65/33/814966533.db2.gz RLJDDDOCVMEBCL-UHFFFAOYSA-N -1 3 293.269 3.459 20 0 CGADHM [O-]c1ccc(Nc2ccccc2C2OCCO2)c(F)c1F ZINC001212016268 814967671 /nfs/dbraw/zinc/96/76/71/814967671.db2.gz HHVYEGARBMQEAH-UHFFFAOYSA-N -1 3 293.269 3.459 20 0 CGADHM O=C(/C=C/C=C(Cl)Cl)Nc1cc(F)ccc1[O-] ZINC001138016542 803826148 /nfs/dbraw/zinc/82/61/48/803826148.db2.gz PLDSOFQDFWSOGF-HNQUOIGGSA-N -1 3 276.094 3.345 20 0 CGADHM COc1ccc2[nH]c(-c3cccc(-c4nnn[n-]4)c3)cc2c1 ZINC001245596217 803842410 /nfs/dbraw/zinc/84/24/10/803842410.db2.gz UETDFJUSAOVTGZ-UHFFFAOYSA-N -1 3 291.314 3.024 20 0 CGADHM COc1ccc2[nH]c(-c3cccc(-c4nn[n-]n4)c3)cc2c1 ZINC001245596217 803842419 /nfs/dbraw/zinc/84/24/19/803842419.db2.gz UETDFJUSAOVTGZ-UHFFFAOYSA-N -1 3 291.314 3.024 20 0 CGADHM CN(C)/C=C/c1ccncc1-c1cc([O-])c(F)c(F)c1F ZINC001245641416 803878351 /nfs/dbraw/zinc/87/83/51/803878351.db2.gz TVSHNJLPAWVMID-GQCTYLIASA-N -1 3 294.276 3.404 20 0 CGADHM CCOC(=O)Cc1ccc(-c2c([O-])cccc2F)cc1 ZINC001245652443 803882231 /nfs/dbraw/zinc/88/22/31/803882231.db2.gz ATRHBJPWOUMVKX-UHFFFAOYSA-N -1 3 274.291 3.304 20 0 CGADHM COc1cc(-c2c([O-])cccc2F)cc(F)c1F ZINC001245653356 803883434 /nfs/dbraw/zinc/88/34/34/803883434.db2.gz MBTQGNONAGCVPM-UHFFFAOYSA-N -1 3 254.207 3.485 20 0 CGADHM COCc1ccc(F)c(-c2c([O-])cccc2F)c1 ZINC001245654872 803886705 /nfs/dbraw/zinc/88/67/05/803886705.db2.gz IETAQIJZUFBKKL-UHFFFAOYSA-N -1 3 250.244 3.484 20 0 CGADHM COC(=O)c1ccc(-c2c([O-])cccc2F)c(F)c1 ZINC001245655136 803888073 /nfs/dbraw/zinc/88/80/73/803888073.db2.gz VNHUFOUNDGOENB-UHFFFAOYSA-N -1 3 264.227 3.124 20 0 CGADHM O=c1cc(-c2c([O-])cccc2F)ccn1Cc1ccccc1 ZINC001245655896 803888269 /nfs/dbraw/zinc/88/82/69/803888269.db2.gz QIULEDHRAJCRFJ-UHFFFAOYSA-N -1 3 295.313 3.408 20 0 CGADHM O=c1ccc(-c2c([O-])cccc2F)cn1CC1CCC1 ZINC001245656018 803889128 /nfs/dbraw/zinc/88/91/28/803889128.db2.gz UFJJDIAXDMJYKH-UHFFFAOYSA-N -1 3 273.307 3.160 20 0 CGADHM COC(=O)C1(c2ccc(-c3c([O-])cccc3F)cc2)CC1 ZINC001245656539 803889550 /nfs/dbraw/zinc/88/95/50/803889550.db2.gz SROWASZNDFRYQU-UHFFFAOYSA-N -1 3 286.302 3.403 20 0 CGADHM COC(=O)c1nc2cccc(-c3c([O-])cccc3F)c2o1 ZINC001245656283 803891227 /nfs/dbraw/zinc/89/12/27/803891227.db2.gz HGRKQAUXRYOOFQ-UHFFFAOYSA-N -1 3 287.246 3.126 20 0 CGADHM Cc1[nH]c(CN(C)Cc2ccccc2C)c(C)c1C(=O)[O-] ZINC001140495067 804447358 /nfs/dbraw/zinc/44/73/58/804447358.db2.gz PEKQNOUZURTSGC-UHFFFAOYSA-N -1 3 286.375 3.270 20 0 CGADHM Cc1[nH]c(CN(C)[C@H]2CCc3ccccc32)c(C)c1C(=O)[O-] ZINC001140498855 804449007 /nfs/dbraw/zinc/44/90/07/804449007.db2.gz SNDSYOFHJBUWMO-INIZCTEOSA-N -1 3 298.386 3.449 20 0 CGADHM FC(F)(F)C1CCC(Nc2ccc(=S)[n-]n2)CC1 ZINC001165600268 807011567 /nfs/dbraw/zinc/01/15/67/807011567.db2.gz ZHOCFIGYZLXLRW-UHFFFAOYSA-N -1 3 277.315 3.298 20 0 CGADHM [O-]c1ccc(CN2CCC3(CC3)CC2)c(F)c1F ZINC001140887913 804540087 /nfs/dbraw/zinc/54/00/87/804540087.db2.gz ITQLTHXCNUIUEY-UHFFFAOYSA-N -1 3 253.292 3.046 20 0 CGADHM O=C(Cc1cncc2ccccc21)[N-]OCc1ccccc1 ZINC001141339038 804632999 /nfs/dbraw/zinc/63/29/99/804632999.db2.gz PVTRLMBXQYCOLU-UHFFFAOYSA-N -1 3 292.338 3.025 20 0 CGADHM O=C(Cc1cc(Cl)cc2ccccc21)[N-]OCC1CC1 ZINC001141399666 804638703 /nfs/dbraw/zinc/63/87/03/804638703.db2.gz SPKWJANMPYSVEA-UHFFFAOYSA-N -1 3 289.762 3.494 20 0 CGADHM [O-]c1cc(Cl)c(CN2CC[C@H]3OCC[C@H]32)c(Cl)c1 ZINC001142105585 804694554 /nfs/dbraw/zinc/69/45/54/804694554.db2.gz GIUDEHSIZLWVJL-CHWSQXEVSA-N -1 3 288.174 3.062 20 0 CGADHM C[C@H]1COCCN(Cc2c(Cl)cc([O-])cc2Cl)C1 ZINC001142106121 804696473 /nfs/dbraw/zinc/69/64/73/804696473.db2.gz ZULUYEVWYLEABQ-SECBINFHSA-N -1 3 290.190 3.167 20 0 CGADHM CCc1ccc(C(=O)NCc2cc(C)ccc2OC)c([O-])c1 ZINC001142474194 804726830 /nfs/dbraw/zinc/72/68/30/804726830.db2.gz MUUCOKFAWVOCEI-UHFFFAOYSA-N -1 3 299.370 3.202 20 0 CGADHM Cn1nc(C2CCC2)cc1Nc1cc(F)cc(F)c1[O-] ZINC001212481816 815036377 /nfs/dbraw/zinc/03/63/77/815036377.db2.gz KPOVBUWWRCVDNK-UHFFFAOYSA-N -1 3 279.290 3.415 20 0 CGADHM O=C(Oc1cccc2c1OCCC2)c1cccc([O-])c1F ZINC001143186729 804818740 /nfs/dbraw/zinc/81/87/40/804818740.db2.gz SQMFFZGUURLQPG-UHFFFAOYSA-N -1 3 288.274 3.076 20 0 CGADHM C/C=C(\C)C(=O)Nc1ccc(C(=O)OC(C)(C)C)cc1[O-] ZINC001143945090 804912806 /nfs/dbraw/zinc/91/28/06/804912806.db2.gz OSQLYEHYIPJTQV-UXBLZVDNSA-N -1 3 291.347 3.252 20 0 CGADHM CC(C)[C@H]1CCCN1Cc1c(F)cc([O-])cc1F ZINC001144562056 805007500 /nfs/dbraw/zinc/00/75/00/805007500.db2.gz WRLXXRGEDMLXKH-CQSZACIVSA-N -1 3 255.308 3.291 20 0 CGADHM [O-]c1cc(F)c(CN2CC[C@H]3CCC[C@@H]3C2)cc1F ZINC001144647583 805021030 /nfs/dbraw/zinc/02/10/30/805021030.db2.gz HOFLKSFXDQCCCE-GHMZBOCLSA-N -1 3 267.319 3.292 20 0 CGADHM Cc1cccc2c1CCN(Cc1sccc1C(=O)[O-])C2 ZINC001144664407 805026512 /nfs/dbraw/zinc/02/65/12/805026512.db2.gz GYOBAKBGJGTTEZ-UHFFFAOYSA-N -1 3 287.384 3.313 20 0 CGADHM [O-]c1cc(F)c(CN2CC[C@@H](c3ccncc3)C2)cc1F ZINC001144667629 805032312 /nfs/dbraw/zinc/03/23/12/805032312.db2.gz XFPROAFJUMSDGB-GFCCVEGCSA-N -1 3 290.313 3.055 20 0 CGADHM [O-]c1ccc(O)cc1-c1nnc(CC2CCCCC2)o1 ZINC001257076977 807044026 /nfs/dbraw/zinc/04/40/26/807044026.db2.gz XDNMHFULALYPIG-UHFFFAOYSA-N -1 3 274.320 3.271 20 0 CGADHM COc1cccc([O-])c1C(=O)N[C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC001146669438 805078839 /nfs/dbraw/zinc/07/88/39/805078839.db2.gz PZPOGMMFXNVIHZ-JHJVBQTASA-N -1 3 289.375 3.099 20 0 CGADHM CC(C)c1ccc(C(=O)Nc2cncc([O-])c2)cc1 ZINC001148313294 805173505 /nfs/dbraw/zinc/17/35/05/805173505.db2.gz OFMLKVBTEBKYFB-UHFFFAOYSA-N -1 3 256.305 3.163 20 0 CGADHM [S-]c1ccccc1NC1=CC[C@@H](N2CCOCC2)CC1 ZINC001249557202 805175715 /nfs/dbraw/zinc/17/57/15/805175715.db2.gz VQXANNDOXXALDQ-CQSZACIVSA-N -1 3 290.432 3.156 20 0 CGADHM Cc1ccc(C(=O)Nc2nc(C)nc3sccc32)c([O-])c1 ZINC001148492520 805188253 /nfs/dbraw/zinc/18/82/53/805188253.db2.gz ODJXHGHEQGJCTM-UHFFFAOYSA-N -1 3 299.355 3.266 20 0 CGADHM Cc1c(N)c(F)ccc1Nc1c(F)cc([O-])cc1F ZINC001249642889 805198313 /nfs/dbraw/zinc/19/83/13/805198313.db2.gz TXJHFUOOXLVYDQ-UHFFFAOYSA-N -1 3 268.238 3.444 20 0 CGADHM CC(=O)c1cc(C(=O)NC2CCC(C)(C)CC2)ccc1[O-] ZINC001148670989 805204686 /nfs/dbraw/zinc/20/46/86/805204686.db2.gz PYBGXROIQMAKEP-UHFFFAOYSA-N -1 3 289.375 3.293 20 0 CGADHM C[C@@H]1CCCCCN1Cc1ccc(F)c(C(=O)[O-])c1F ZINC001249769905 805240575 /nfs/dbraw/zinc/24/05/75/805240575.db2.gz RADUUVLHTUEAOO-SNVBAGLBSA-N -1 3 283.318 3.428 20 0 CGADHM CN(Cc1ccc(F)c(C(=O)[O-])c1F)C[C@@H]1CC1(C)C ZINC001249776521 805241654 /nfs/dbraw/zinc/24/16/54/805241654.db2.gz OPZPPHYQMXPJKZ-JTQLQIEISA-N -1 3 283.318 3.141 20 0 CGADHM O=C(Nc1cc([O-])cc(Cl)c1)c1ccnc2[nH]ccc21 ZINC001150969514 805276557 /nfs/dbraw/zinc/27/65/57/805276557.db2.gz BENDCMMQZPHKOR-UHFFFAOYSA-N -1 3 287.706 3.126 20 0 CGADHM CCOc1cccc(CCNC(=O)c2c(C)cccc2[O-])c1 ZINC001151403604 805288982 /nfs/dbraw/zinc/28/89/82/805288982.db2.gz KQIYICNTIAJHLZ-UHFFFAOYSA-N -1 3 299.370 3.072 20 0 CGADHM Cc1cccc(C)c1NC(=O)Cc1ccc([O-])c(F)c1 ZINC001250004560 805359364 /nfs/dbraw/zinc/35/93/64/805359364.db2.gz KOIMSKINPDPTQQ-UHFFFAOYSA-N -1 3 273.307 3.329 20 0 CGADHM CCOc1cc([N-]c2nnc(C)o2)ccc1Cl ZINC001212577046 815075774 /nfs/dbraw/zinc/07/57/74/815075774.db2.gz JGBJGMCCGJTXNP-UHFFFAOYSA-N -1 3 253.689 3.174 20 0 CGADHM CCC1(CNC(=O)c2c([O-])cccc2OC)CCCCC1 ZINC001153763579 805413823 /nfs/dbraw/zinc/41/38/23/805413823.db2.gz BTHOTTHCHIASGW-UHFFFAOYSA-N -1 3 291.391 3.491 20 0 CGADHM CC(C)c1cccnc1NC(=O)c1ccc2[nH][n-]c(=O)c2c1 ZINC001154206409 805438814 /nfs/dbraw/zinc/43/88/14/805438814.db2.gz SDIDYFJNHZGYQE-UHFFFAOYSA-N -1 3 296.330 3.039 20 0 CGADHM C[C@@H]1CCN1C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC001154240085 805443026 /nfs/dbraw/zinc/44/30/26/805443026.db2.gz AGCKLXIFWAICQB-CQSZACIVSA-N -1 3 295.382 3.412 20 0 CGADHM CCOC(=O)c1ccncc1Nc1ccc(Cl)c([O-])c1 ZINC001212588166 815077630 /nfs/dbraw/zinc/07/76/30/815077630.db2.gz IBSAFFBMQVAKRQ-UHFFFAOYSA-N -1 3 292.722 3.361 20 0 CGADHM Cc1cc(C)n2nc(Nc3ccc(Cl)c([O-])c3)cc2n1 ZINC001212589619 815078379 /nfs/dbraw/zinc/07/83/79/815078379.db2.gz VQRPZMRZGWPXKV-UHFFFAOYSA-N -1 3 288.738 3.449 20 0 CGADHM COCCOc1cc(Nc2ccc(Cl)c([O-])c2)ccn1 ZINC001212591596 815079451 /nfs/dbraw/zinc/07/94/51/815079451.db2.gz UVGSMEMCPGINAM-UHFFFAOYSA-N -1 3 294.738 3.209 20 0 CGADHM CN1C(=O)Cc2ccc(Nc3ccc(Cl)c([O-])c3)cc21 ZINC001212592163 815079949 /nfs/dbraw/zinc/07/99/49/815079949.db2.gz BBCJCQSVEWFEDP-UHFFFAOYSA-N -1 3 288.734 3.308 20 0 CGADHM O=c1[nH]c(-c2nnc(CCC3CCCCC3)o2)ccc1[O-] ZINC001256846660 806991346 /nfs/dbraw/zinc/99/13/46/806991346.db2.gz MACBWHFPALPTKL-UHFFFAOYSA-N -1 3 289.335 3.056 20 0 CGADHM Cc1cc(C)cc(S(=O)(=O)[N-]c2cc(F)ccc2F)c1 ZINC001259516004 807679744 /nfs/dbraw/zinc/67/97/44/807679744.db2.gz DXYBZZGOVFNZHF-UHFFFAOYSA-N -1 3 297.326 3.382 20 0 CGADHM CC[C@H](C)S(=O)(=O)[N-]c1cc(C)c2ccccc2n1 ZINC001260724211 807700174 /nfs/dbraw/zinc/70/01/74/807700174.db2.gz NESTUDSZXAHWRB-NSHDSACASA-N -1 3 278.377 3.083 20 0 CGADHM CCCOc1ccc(NCc2ncccc2[O-])c(F)c1 ZINC001169732993 807701532 /nfs/dbraw/zinc/70/15/32/807701532.db2.gz QJHGPAXKKBCROE-UHFFFAOYSA-N -1 3 276.311 3.327 20 0 CGADHM COc1cc(NCc2ncccc2[O-])cc(C(F)(F)F)c1 ZINC001169732756 807701756 /nfs/dbraw/zinc/70/17/56/807701756.db2.gz KPFVELLUSXGOBT-UHFFFAOYSA-N -1 3 298.264 3.427 20 0 CGADHM CO[C@@H]1CC=C(Nc2cc(=O)n(-c3ccccc3)[n-]2)CC1 ZINC001212875479 815169113 /nfs/dbraw/zinc/16/91/13/815169113.db2.gz OAMOEENSRHKMSD-CQSZACIVSA-N -1 3 285.347 3.073 20 0 CGADHM Cc1nc2cc(Nc3ccc(C(N)=O)c([O-])c3)ccc2s1 ZINC001213038953 815208878 /nfs/dbraw/zinc/20/88/78/815208878.db2.gz CGMZFDIXDQOITM-UHFFFAOYSA-N -1 3 299.355 3.153 20 0 CGADHM O=c1cc(Nc2ccccc2F)[n-]n1-c1ccccc1 ZINC001173844986 808706867 /nfs/dbraw/zinc/70/68/67/808706867.db2.gz AZLHQDZGJISLEQ-UHFFFAOYSA-N -1 3 269.279 3.461 20 0 CGADHM CC(=O)c1ccc(Nc2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC001173896455 808748629 /nfs/dbraw/zinc/74/86/29/808748629.db2.gz UWLRUUFQTNUBER-UHFFFAOYSA-N -1 3 269.304 3.006 20 0 CGADHM CC(C)(C)c1cc(Nc2cc(=O)[n-]c(Cl)n2)ccn1 ZINC001213162920 815247859 /nfs/dbraw/zinc/24/78/59/815247859.db2.gz MKSBMQWALSSMKX-UHFFFAOYSA-N -1 3 278.743 3.272 20 0 CGADHM FC(F)(F)c1cc([N-]c2nonc2C2CC2)ccn1 ZINC001174362446 808976689 /nfs/dbraw/zinc/97/66/89/808976689.db2.gz GLOYZUDOWQSMGO-UHFFFAOYSA-N -1 3 270.214 3.104 20 0 CGADHM CCOc1ncccc1Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001174457377 809020119 /nfs/dbraw/zinc/02/01/19/809020119.db2.gz UXMHDGRXUQEXDW-UHFFFAOYSA-N -1 3 296.330 3.115 20 0 CGADHM Nc1ccc(Nc2cc(=O)n(-c3ccccc3)[n-]2)c(F)c1 ZINC001174479393 809033812 /nfs/dbraw/zinc/03/38/12/809033812.db2.gz DXJCTMACRMKVMU-UHFFFAOYSA-N -1 3 284.294 3.043 20 0 CGADHM CN(C)c1ccc(Nc2cc(=O)n(-c3ccccc3)[n-]2)cc1 ZINC001174877539 809186138 /nfs/dbraw/zinc/18/61/38/809186138.db2.gz HPPYTJFIEIMGDW-UHFFFAOYSA-N -1 3 294.358 3.388 20 0 CGADHM [O-]c1cc(F)cnc1Nc1cc(F)c(F)cc1F ZINC001175084321 809262946 /nfs/dbraw/zinc/26/29/46/809262946.db2.gz TVMVPMVVFHHZBB-UHFFFAOYSA-N -1 3 258.174 3.087 20 0 CGADHM COC(=O)Cc1ccc(Nc2c(F)cc([O-])cc2F)cc1 ZINC001175100314 809270854 /nfs/dbraw/zinc/27/08/54/809270854.db2.gz PHPKNSSUPOCGJG-UHFFFAOYSA-N -1 3 293.269 3.130 20 0 CGADHM CC(=O)c1cccc(Nc2c(F)cc([O-])cc2F)n1 ZINC001175100487 809271727 /nfs/dbraw/zinc/27/17/27/809271727.db2.gz OHKSSIJZWIPYFM-UHFFFAOYSA-N -1 3 264.231 3.012 20 0 CGADHM CC(=O)c1ccc([N-]c2nonc2C2CC2)cc1F ZINC001175232392 809318208 /nfs/dbraw/zinc/31/82/08/809318208.db2.gz BHAVBXPGHGWJCI-UHFFFAOYSA-N -1 3 261.256 3.032 20 0 CGADHM Cc1cc(C[C@@H](C)Nc2c(F)ccc([O-])c2F)on1 ZINC001175261259 809327820 /nfs/dbraw/zinc/32/78/20/809327820.db2.gz JAYCWDUCGREIPW-SSDOTTSWSA-N -1 3 268.263 3.010 20 0 CGADHM COC(=O)c1ccsc1Nc1c(F)ccc([O-])c1F ZINC001175261876 809328139 /nfs/dbraw/zinc/32/81/39/809328139.db2.gz UOTFPHHWFRRXFZ-UHFFFAOYSA-N -1 3 285.271 3.262 20 0 CGADHM [O-]c1ccc(F)c(Nc2cccc(Cl)n2)c1F ZINC001175261964 809328477 /nfs/dbraw/zinc/32/84/77/809328477.db2.gz UYAHELWBCAILBG-UHFFFAOYSA-N -1 3 256.639 3.462 20 0 CGADHM CCc1ccc(Nc2c(F)ccc([O-])c2F)cn1 ZINC001175262912 809328937 /nfs/dbraw/zinc/32/89/37/809328937.db2.gz CNGDNELZDUYUPE-UHFFFAOYSA-N -1 3 250.248 3.371 20 0 CGADHM [O-]c1ccc(F)c(Nc2cc(F)nc(F)c2)c1F ZINC001175263611 809329336 /nfs/dbraw/zinc/32/93/36/809329336.db2.gz MSJVCWPQTQMFBO-UHFFFAOYSA-N -1 3 258.174 3.087 20 0 CGADHM Nc1cc2ccccc2n1-c1c(F)ccc([O-])c1F ZINC001175263371 809330254 /nfs/dbraw/zinc/33/02/54/809330254.db2.gz KCBDRPGOKLPQCT-UHFFFAOYSA-N -1 3 260.243 3.197 20 0 CGADHM COc1cccc(O)c1Nc1c(F)ccc([O-])c1F ZINC001175268234 809332006 /nfs/dbraw/zinc/33/20/06/809332006.db2.gz OISLKVKUHGRFST-UHFFFAOYSA-N -1 3 267.231 3.128 20 0 CGADHM Cc1c(CO)cccc1Nc1c(F)ccc([O-])c1F ZINC001175269061 809332620 /nfs/dbraw/zinc/33/26/20/809332620.db2.gz ZGWKKAHZFKYBOL-UHFFFAOYSA-N -1 3 265.259 3.215 20 0 CGADHM [O-]c1ccc(F)c(Nc2ccc(CO)cc2F)c1F ZINC001175269053 809332755 /nfs/dbraw/zinc/33/27/55/809332755.db2.gz YUMBLFPBWROXOR-UHFFFAOYSA-N -1 3 269.222 3.045 20 0 CGADHM COC(=O)c1cccc(F)c1Nc1c(F)ccc([O-])c1F ZINC001175267856 809332810 /nfs/dbraw/zinc/33/28/10/809332810.db2.gz ASRLPSBYILJMMJ-UHFFFAOYSA-N -1 3 297.232 3.340 20 0 CGADHM O=c1[nH]c2ccc(Nc3c(F)ccc([O-])c3F)cc2o1 ZINC001175268430 809332852 /nfs/dbraw/zinc/33/28/52/809332852.db2.gz NHSCVARACJYTIO-UHFFFAOYSA-N -1 3 278.214 3.261 20 0 CGADHM CC(C)c1ccc(Nc2ccc(-c3nn[n-]n3)cc2)cn1 ZINC001175425795 809399989 /nfs/dbraw/zinc/39/99/89/809399989.db2.gz VSBWLPVZDVVBDW-UHFFFAOYSA-N -1 3 280.335 3.129 20 0 CGADHM Fc1cc(Nc2ccc(-c3nn[n-]n3)cc2)cc(F)c1F ZINC001175429585 809401071 /nfs/dbraw/zinc/40/10/71/809401071.db2.gz KWFJMGPINPVZHV-UHFFFAOYSA-N -1 3 291.236 3.028 20 0 CGADHM Clc1cc(Nc2ccc(-c3nn[n-]n3)cc2)cs1 ZINC001175428586 809401129 /nfs/dbraw/zinc/40/11/29/809401129.db2.gz LVSZQPUDWCTJGX-UHFFFAOYSA-N -1 3 277.740 3.325 20 0 CGADHM O=C([N-]c1cc(F)cc(F)c1)c1ocnc1C(F)(F)F ZINC001290401880 809407864 /nfs/dbraw/zinc/40/78/64/809407864.db2.gz TTZKYTVZAWVMLH-UHFFFAOYSA-N -1 3 292.163 3.224 20 0 CGADHM [O-]c1cc(Cl)cnc1Nc1ccc2nccnc2c1 ZINC001175487429 809427262 /nfs/dbraw/zinc/42/72/62/809427262.db2.gz PEKMJTSRQYCMJO-UHFFFAOYSA-N -1 3 272.695 3.127 20 0 CGADHM Cc1cc(F)cc(-c2noc(-c3cc(Cl)n[n-]3)n2)c1 ZINC001213500211 815291565 /nfs/dbraw/zinc/29/15/65/815291565.db2.gz BXFDDQCEYGIQGL-UHFFFAOYSA-N -1 3 278.674 3.228 20 0 CGADHM CCCc1ccccc1C(=O)Nc1nc(C)ccc1[O-] ZINC001297158969 809513737 /nfs/dbraw/zinc/51/37/37/809513737.db2.gz NYDRPQITYYDGDY-UHFFFAOYSA-N -1 3 270.332 3.300 20 0 CGADHM CSc1cccnc1[N-]C(=O)c1cccnc1Cl ZINC001300258593 809565544 /nfs/dbraw/zinc/56/55/44/809565544.db2.gz DCWRLESFLKKXKP-UHFFFAOYSA-N -1 3 279.752 3.104 20 0 CGADHM COc1ccncc1Nc1cccc([O-])c1Br ZINC001176124641 809630449 /nfs/dbraw/zinc/63/04/49/809630449.db2.gz SNUWSNXULZQILJ-UHFFFAOYSA-N -1 3 295.136 3.302 20 0 CGADHM Cc1ccc([O-])c(-c2nc(-c3ccc(F)cc3C)no2)n1 ZINC001213698322 815322730 /nfs/dbraw/zinc/32/27/30/815322730.db2.gz VEMYDRBPJHBCMD-UHFFFAOYSA-N -1 3 285.278 3.260 20 0 CGADHM Cc1nn(C)c2cc([N-]c3nnc(C(C)C)o3)ccc12 ZINC001213750493 815326562 /nfs/dbraw/zinc/32/65/62/815326562.db2.gz OGTRMSMCDZCIKG-UHFFFAOYSA-N -1 3 271.324 3.132 20 0 CGADHM O=c1[n-]cncc1Nc1ccc(N2CCCCC2)cc1F ZINC001213840142 815338799 /nfs/dbraw/zinc/33/87/99/815338799.db2.gz RDCMXSVFYRWAKF-UHFFFAOYSA-N -1 3 288.326 3.055 20 0 CGADHM CC[C@H](C(=O)OC(C)(C)C)N(C)Cc1ccc([O-])c(F)c1 ZINC001182667678 810120066 /nfs/dbraw/zinc/12/00/66/810120066.db2.gz YMUNBTWECVBZOU-CYBMUJFWSA-N -1 3 297.370 3.083 20 0 CGADHM CCCCOc1ccc(C(=O)N[C@@H]2CC23CCC3)c([O-])c1 ZINC001184234731 810184554 /nfs/dbraw/zinc/18/45/54/810184554.db2.gz CABHEVNJXWRXAB-OAHLLOKOSA-N -1 3 289.375 3.244 20 0 CGADHM CC(=O)c1cccc([O-])c1NC(=O)[C@@H]1CCC(C)(C)C1 ZINC001185172987 810240544 /nfs/dbraw/zinc/24/05/44/810240544.db2.gz RDBFRZFESGPOKA-LLVKDONJSA-N -1 3 275.348 3.360 20 0 CGADHM CC[C@H](C)CCC(=O)Nc1c([O-])cccc1C(C)=O ZINC001185573186 810277070 /nfs/dbraw/zinc/27/70/70/810277070.db2.gz YVHOFOONDKJAND-JTQLQIEISA-N -1 3 263.337 3.360 20 0 CGADHM CC(=O)c1c(F)cccc1NC(=O)c1ccc([O-])cc1C ZINC001186190998 810319835 /nfs/dbraw/zinc/31/98/35/810319835.db2.gz FELSEMPLDATXSJ-UHFFFAOYSA-N -1 3 287.290 3.295 20 0 CGADHM O=C(NCCc1ccc(F)cc1)Nc1ccc(F)c([O-])c1 ZINC001186276023 810325499 /nfs/dbraw/zinc/32/54/99/810325499.db2.gz YBBUNQHIBTZUIR-UHFFFAOYSA-N -1 3 292.285 3.035 20 0 CGADHM Cc1ccc([O-])c(NC(=O)N[C@H]2CCCc3ccccc32)n1 ZINC001186421787 810338323 /nfs/dbraw/zinc/33/83/23/810338323.db2.gz UREZBJFXOXONGN-AWEZNQCLSA-N -1 3 297.358 3.295 20 0 CGADHM [O-]c1cc(F)c(Nc2c(F)cc(CO)cc2F)c(F)c1 ZINC001214101773 815369177 /nfs/dbraw/zinc/36/91/77/815369177.db2.gz TYEZPDOIJXHEHC-UHFFFAOYSA-N -1 3 287.212 3.185 20 0 CGADHM Cc1cc(N)ccc1Nc1ncc(Br)cc1[O-] ZINC001214105418 815370024 /nfs/dbraw/zinc/37/00/24/815370024.db2.gz FTUCXFHDEVLYOD-UHFFFAOYSA-N -1 3 294.152 3.184 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CCCC[C@@](C)(F)C1 ZINC001188639996 810496559 /nfs/dbraw/zinc/49/65/59/810496559.db2.gz AJRZIPWRKYVVJU-OAHLLOKOSA-N -1 3 265.328 3.055 20 0 CGADHM COc1nc(Cl)ccc1NC(=O)c1c(C)cccc1[O-] ZINC001188637976 810497280 /nfs/dbraw/zinc/49/72/80/810497280.db2.gz DCUGABFFDCJERT-UHFFFAOYSA-N -1 3 292.722 3.010 20 0 CGADHM Cc1cccc([O-])c1C(=O)NCCc1ccc2[nH]ccc2c1 ZINC001188659353 810500100 /nfs/dbraw/zinc/50/01/00/810500100.db2.gz LMPQFJDIEJGIFP-UHFFFAOYSA-N -1 3 294.354 3.154 20 0 CGADHM Cc1cccnc1[C@@H](NC(=O)c1c(C)cccc1[O-])C1CC1 ZINC001188660280 810500132 /nfs/dbraw/zinc/50/01/32/810500132.db2.gz YEHZMKLVICGLLC-KRWDZBQOSA-N -1 3 296.370 3.285 20 0 CGADHM Cc1ccc([N-]S(=O)(=O)CC2CC2)c(C(F)(F)F)c1 ZINC001188974160 810529528 /nfs/dbraw/zinc/52/95/28/810529528.db2.gz QOKIKIAUDJPSHZ-UHFFFAOYSA-N -1 3 293.310 3.166 20 0 CGADHM O=C(Nc1ccc(C2CC2)c2ccccc12)c1cnn[n-]1 ZINC001189351359 810561316 /nfs/dbraw/zinc/56/13/16/810561316.db2.gz FCTHVPMYXHHDEF-UHFFFAOYSA-N -1 3 278.315 3.088 20 0 CGADHM O=C(Nc1ccc(C2CC2)c2ccccc12)c1c[n-]nn1 ZINC001189351359 810561320 /nfs/dbraw/zinc/56/13/20/810561320.db2.gz FCTHVPMYXHHDEF-UHFFFAOYSA-N -1 3 278.315 3.088 20 0 CGADHM O=C(Nc1ccc(C2CC2)c2ccccc12)c1cn[n-]n1 ZINC001189351359 810561325 /nfs/dbraw/zinc/56/13/25/810561325.db2.gz FCTHVPMYXHHDEF-UHFFFAOYSA-N -1 3 278.315 3.088 20 0 CGADHM CC(C)c1ccccc1C(=O)Nc1cncc([O-])c1 ZINC001190238788 810613501 /nfs/dbraw/zinc/61/35/01/810613501.db2.gz FWIQBVJILOAZEY-UHFFFAOYSA-N -1 3 256.305 3.163 20 0 CGADHM CCCC1CCN(C(=O)c2ccc(=O)[n-]c2Cl)CC1 ZINC001190909166 810655037 /nfs/dbraw/zinc/65/50/37/810655037.db2.gz WURRFYVIXOXDKK-UHFFFAOYSA-N -1 3 282.771 3.093 20 0 CGADHM CN(CC1CCCCC1)C(=O)c1ccc(=O)[n-]c1Cl ZINC001190910656 810656283 /nfs/dbraw/zinc/65/62/83/810656283.db2.gz UJDRJNUNUOLTCP-UHFFFAOYSA-N -1 3 282.771 3.093 20 0 CGADHM O=C(NCCC1=CCCCC1)c1ccc(=O)[n-]c1Cl ZINC001190918213 810657474 /nfs/dbraw/zinc/65/74/74/810657474.db2.gz RGGVEZSLBYGJHB-UHFFFAOYSA-N -1 3 280.755 3.061 20 0 CGADHM CC(C)(C)c1ccc(C(=O)N2CC(F)(C3CC3)C2)c([O-])c1 ZINC001192314936 810785359 /nfs/dbraw/zinc/78/53/59/810785359.db2.gz VLYLGXCZFGZOTB-UHFFFAOYSA-N -1 3 291.366 3.264 20 0 CGADHM CC(C)(C)c1ccc(C(=O)N2C3CCC2CC3)c([O-])c1 ZINC001192323023 810788181 /nfs/dbraw/zinc/78/81/81/810788181.db2.gz XAMYBBKONKSVHU-UHFFFAOYSA-N -1 3 273.376 3.457 20 0 CGADHM O=C(Nc1ccc2sccc2c1)Nc1cnc[n-]c1=O ZINC001192427384 810796331 /nfs/dbraw/zinc/79/63/31/810796331.db2.gz ZJYUZRMEQHBSRA-UHFFFAOYSA-N -1 3 286.316 3.041 20 0 CGADHM O=C(Nc1cc([O-])cc(Cl)c1)c1cnc(C(F)F)cn1 ZINC001192566802 810807484 /nfs/dbraw/zinc/80/74/84/810807484.db2.gz QBVPQBIWWCYPMP-UHFFFAOYSA-N -1 3 299.664 3.026 20 0 CGADHM Cc1ccc(O)cc1Nc1cc([O-])c(F)cc1F ZINC001214348474 815399266 /nfs/dbraw/zinc/39/92/66/815399266.db2.gz WIXGUQNPUAYYBV-UHFFFAOYSA-N -1 3 251.232 3.428 20 0 CGADHM O=C(N[C@@H]1CC=CCC1)c1ccc([O-])cc1C(F)(F)F ZINC001193759161 810948445 /nfs/dbraw/zinc/94/84/45/810948445.db2.gz PBBAHRQQOWBPGQ-SECBINFHSA-N -1 3 285.265 3.250 20 0 CGADHM Cc1cc(O)cc([O-])c1C(=O)Nc1ccc2[nH]ccc2c1 ZINC001193912408 810977601 /nfs/dbraw/zinc/97/76/01/810977601.db2.gz RQVNOLNJNORIIE-UHFFFAOYSA-N -1 3 282.299 3.140 20 0 CGADHM Cc1cc(O)cc([O-])c1C(=O)N1CCC(C(C)(C)C)CC1 ZINC001193912481 810977635 /nfs/dbraw/zinc/97/76/35/810977635.db2.gz VIPMXTHLKNYJRS-UHFFFAOYSA-N -1 3 291.391 3.305 20 0 CGADHM CCCC[C@H](CC)COC(=O)Nc1cc(=O)[n-]c(C)n1 ZINC001193944068 810983394 /nfs/dbraw/zinc/98/33/94/810983394.db2.gz GQAAPBYTRCCSFI-NSHDSACASA-N -1 3 281.356 3.256 20 0 CGADHM O=C(NCc1ncccc1[O-])Oc1ccc2ccccc2c1 ZINC001194670830 811103311 /nfs/dbraw/zinc/10/33/11/811103311.db2.gz KWINIOBJKYGITQ-UHFFFAOYSA-N -1 3 294.310 3.229 20 0 CGADHM CCn1cnc(Nc2c(Cl)ccc([O-])c2F)c1 ZINC001214560018 815424587 /nfs/dbraw/zinc/42/45/87/815424587.db2.gz YBLLGCWMJBCSCN-UHFFFAOYSA-N -1 3 255.680 3.145 20 0 CGADHM O=c1cc(Nc2c(Cl)ccc([O-])c2F)cc[nH]1 ZINC001214554253 815422957 /nfs/dbraw/zinc/42/29/57/815422957.db2.gz NYTKWLPQQNKTKW-UHFFFAOYSA-N -1 3 254.648 3.029 20 0 CGADHM [O-]c1ccc(Cl)c(Nc2ccnn2CCF)c1F ZINC001214557584 815423062 /nfs/dbraw/zinc/42/30/62/815423062.db2.gz CFZRLZAWWIGEKW-UHFFFAOYSA-N -1 3 273.670 3.094 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2nccc(Cl)c2Cl)n1 ZINC001195448471 811256410 /nfs/dbraw/zinc/25/64/10/811256410.db2.gz YTRKZTRZTCBJIX-UHFFFAOYSA-N -1 3 298.129 3.050 20 0 CGADHM [O-]c1ccc(NC(=S)Nc2cccc(F)c2)cc1F ZINC001197637835 811440094 /nfs/dbraw/zinc/44/00/94/811440094.db2.gz AAFWFIFNUMJXBA-UHFFFAOYSA-N -1 3 280.299 3.479 20 0 CGADHM CC[C@@H](C)CNC(=S)Nc1ccc(Cl)cc1[O-] ZINC001200254526 811655036 /nfs/dbraw/zinc/65/50/36/811655036.db2.gz PSOSMXKCVDSZAE-MRVPVSSYSA-N -1 3 272.801 3.378 20 0 CGADHM CCCCNC(=S)Nc1c([O-])cccc1C(F)(F)F ZINC001200458656 811693222 /nfs/dbraw/zinc/69/32/22/811693222.db2.gz YHLGIPONEMRLPB-UHFFFAOYSA-N -1 3 292.326 3.498 20 0 CGADHM [O-]c1ccc(Nc2ccc(CO)c(F)c2F)c(F)c1F ZINC001215032511 815478291 /nfs/dbraw/zinc/47/82/91/815478291.db2.gz BATFSEMYAWUPLJ-UHFFFAOYSA-N -1 3 287.212 3.185 20 0 CGADHM O=C1CCCc2cc(Nc3cncc([O-])c3)ccc21 ZINC001201641644 811928661 /nfs/dbraw/zinc/92/86/61/811928661.db2.gz JTDLJOVEWFCBNT-UHFFFAOYSA-N -1 3 254.289 3.050 20 0 CGADHM Cc1ccc([O-])c(NC(=O)Nc2ccccc2C)n1 ZINC001202177434 812029762 /nfs/dbraw/zinc/02/97/62/812029762.db2.gz MMMDXGOONWXPRY-UHFFFAOYSA-N -1 3 257.293 3.048 20 0 CGADHM Cc1c(Cl)ccc(Nc2cnc[n-]c2=O)c1F ZINC001215524662 815529896 /nfs/dbraw/zinc/52/98/96/815529896.db2.gz SLQYCVNISFRABB-UHFFFAOYSA-N -1 3 253.664 3.027 20 0 CGADHM [O-]c1cc(F)c(Nc2cc(F)c(O)cc2F)cc1F ZINC001215574560 815538594 /nfs/dbraw/zinc/53/85/94/815538594.db2.gz ZZTFODSPTVPOIF-UHFFFAOYSA-N -1 3 273.185 3.398 20 0 CGADHM Cc1cnc(Nc2cc(F)c([O-])cc2F)c(Cl)n1 ZINC001215570500 815536013 /nfs/dbraw/zinc/53/60/13/815536013.db2.gz JEGUXSWFDBHDSW-UHFFFAOYSA-N -1 3 271.654 3.166 20 0 CGADHM COc1nccc(C)c1Nc1cc(F)c([O-])cc1F ZINC001215570223 815536398 /nfs/dbraw/zinc/53/63/98/815536398.db2.gz OWKXDHSPRKYKFD-UHFFFAOYSA-N -1 3 266.247 3.126 20 0 CGADHM CCOc1cccnc1Nc1cc(F)c([O-])cc1F ZINC001215570307 815536633 /nfs/dbraw/zinc/53/66/33/815536633.db2.gz DDFCCJOWDAIABK-UHFFFAOYSA-N -1 3 266.247 3.208 20 0 CGADHM CCc1cccnc1Nc1cc(F)c([O-])cc1F ZINC001215570760 815536662 /nfs/dbraw/zinc/53/66/62/815536662.db2.gz NBNXDCGJURNJMW-UHFFFAOYSA-N -1 3 250.248 3.371 20 0 CGADHM [O-]c1cc(F)c(Nc2cnc(C(F)(F)F)cn2)cc1F ZINC001215570939 815537783 /nfs/dbraw/zinc/53/77/83/815537783.db2.gz RLKJLNDYDVBOQF-UHFFFAOYSA-N -1 3 291.179 3.223 20 0 CGADHM O=c1[nH]ccc(Nc2cc(F)c([O-])cc2F)c1Cl ZINC001215572699 815538585 /nfs/dbraw/zinc/53/85/85/815538585.db2.gz QNWWZYOPDLVFLZ-UHFFFAOYSA-N -1 3 272.638 3.168 20 0 CGADHM Nc1ccccc1-c1nccn1-c1cc(F)c([O-])cc1F ZINC001215576170 815538171 /nfs/dbraw/zinc/53/81/71/815538171.db2.gz MCHYMRJXEWRMHN-UHFFFAOYSA-N -1 3 287.269 3.105 20 0 CGADHM [O-]c1c(Cl)cccc1Nc1ccn2ccnc2c1 ZINC001204978652 812808523 /nfs/dbraw/zinc/80/85/23/812808523.db2.gz YJJUFCRDKZHPMS-UHFFFAOYSA-N -1 3 259.696 3.437 20 0 CGADHM CCOc1ccc(C)c(F)c1Nc1cnc(C)[n-]c1=O ZINC001215762170 815580632 /nfs/dbraw/zinc/58/06/32/815580632.db2.gz CNPYGEKXHPNAOB-UHFFFAOYSA-N -1 3 277.299 3.080 20 0 CGADHM CC(C)Cn1cccc(-c2ccc([O-])cc2F)c1=O ZINC001206081615 813194294 /nfs/dbraw/zinc/19/42/94/813194294.db2.gz ZZMIMRSCRVYJBH-UHFFFAOYSA-N -1 3 261.296 3.016 20 0 CGADHM CN(Cc1ccc(-c2csc(C(=O)[O-])c2)nc1)C1CC1 ZINC001206265726 813263655 /nfs/dbraw/zinc/26/36/55/813263655.db2.gz OTRCPIYGJLNICG-UHFFFAOYSA-N -1 3 288.372 3.103 20 0 CGADHM [O-]c1cc(F)cc(F)c1Nc1ccc2[nH]cnc2c1 ZINC001209848535 814167906 /nfs/dbraw/zinc/16/79/06/814167906.db2.gz NOJRIVJTTDGTLM-UHFFFAOYSA-N -1 3 261.231 3.290 20 0 CGADHM COc1cc(C(F)(F)F)ccc1[N-]c1nnc(C)o1 ZINC001209881234 814186054 /nfs/dbraw/zinc/18/60/54/814186054.db2.gz ZMEYTLGRCZQMRU-UHFFFAOYSA-N -1 3 273.214 3.149 20 0 CGADHM CN(C)c1ccccc1Nc1ccc([O-])c(F)c1F ZINC001209991854 814233527 /nfs/dbraw/zinc/23/35/27/814233527.db2.gz PPHVMEISYUCUCL-UHFFFAOYSA-N -1 3 264.275 3.480 20 0 CGADHM FC(F)(F)c1ccncc1[N-]c1noc2cccnc12 ZINC001210090927 814282922 /nfs/dbraw/zinc/28/29/22/814282922.db2.gz GMWFRWTYHYNTJB-UHFFFAOYSA-N -1 3 280.209 3.380 20 0 CGADHM CC(=O)c1cc(Nc2cccc(F)c2[O-])cnc1C ZINC001210197404 814333661 /nfs/dbraw/zinc/33/36/61/814333661.db2.gz WJTIYSQOAWGWCK-UHFFFAOYSA-N -1 3 260.268 3.181 20 0 CGADHM COC(=O)c1cc(C)cnc1Nc1cccc(Cl)c1[O-] ZINC001210216307 814347094 /nfs/dbraw/zinc/34/70/94/814347094.db2.gz SXKGOJXBUZYADZ-UHFFFAOYSA-N -1 3 292.722 3.279 20 0 CGADHM Cc1cc(O)cnc1Nc1cccc(Cl)c1[O-] ZINC001210217168 814347246 /nfs/dbraw/zinc/34/72/46/814347246.db2.gz UDWMMRDIQKWGCD-UHFFFAOYSA-N -1 3 250.685 3.198 20 0 CGADHM [O-]c1c(Cl)cccc1Nc1cccc(-n2nccn2)c1 ZINC001210222894 814351042 /nfs/dbraw/zinc/35/10/42/814351042.db2.gz CLGWKXHYNJOJES-UHFFFAOYSA-N -1 3 286.722 3.370 20 0 CGADHM COCCN(c1ccccc1N)c1cccc(Cl)c1[O-] ZINC001210223342 814351793 /nfs/dbraw/zinc/35/17/93/814351793.db2.gz OWFLZFNVCHJCNA-UHFFFAOYSA-N -1 3 292.766 3.412 20 0 CGADHM Cc1ncc(Nc2cccc([O-])c2Br)cc1N ZINC001210292899 814386988 /nfs/dbraw/zinc/38/69/88/814386988.db2.gz BLHFXCZBFCMDBC-UHFFFAOYSA-N -1 3 294.152 3.184 20 0 CGADHM [O-]c1cc(F)c(Nc2cnn(C(F)(F)F)c2)cc1F ZINC001210365482 814424302 /nfs/dbraw/zinc/42/43/02/814424302.db2.gz UZMJJAJGPUOOKF-UHFFFAOYSA-N -1 3 279.168 3.087 20 0 CGADHM Cc1cc(Cl)cc([N-]S(=O)(=O)c2ccc(N)cc2)c1 ZINC001210463481 814471009 /nfs/dbraw/zinc/47/10/09/814471009.db2.gz CRJIZWDXHRDQTD-UHFFFAOYSA-N -1 3 296.779 3.031 20 0 CGADHM C[C@H](O)c1cccc(Nc2ccc([O-])c(F)c2F)c1 ZINC001210506957 814497078 /nfs/dbraw/zinc/49/70/78/814497078.db2.gz BSSMNTWYOUIJRK-QMMMGPOBSA-N -1 3 265.259 3.467 20 0 CGADHM C[C@@H](O)c1ccc(Nc2cc(F)c([O-])c(F)c2)cc1 ZINC001210647736 814570615 /nfs/dbraw/zinc/57/06/15/814570615.db2.gz OTQVFCSNSMZOQU-MRVPVSSYSA-N -1 3 265.259 3.467 20 0 CGADHM C[C@H](O)c1ccc(Nc2ccc(-n3ccc(=O)[n-]3)cc2)cc1 ZINC001210654002 814574581 /nfs/dbraw/zinc/57/45/81/814574581.db2.gz WVJIWNXHFLANII-LBPRGKRZSA-N -1 3 295.342 3.375 20 0 CGADHM [O-]c1cc(Nc2cnc(C(F)(F)F)nc2)c(F)cc1F ZINC001210670661 814579354 /nfs/dbraw/zinc/57/93/54/814579354.db2.gz KVASQWVPFDBSEB-UHFFFAOYSA-N -1 3 291.179 3.223 20 0 CGADHM CC(=O)Nc1ccc(Nc2cccc([O-])c2Cl)cn1 ZINC001210844441 814649606 /nfs/dbraw/zinc/64/96/06/814649606.db2.gz IACGHFJLAVXITC-UHFFFAOYSA-N -1 3 277.711 3.143 20 0 CGADHM Cn1ncc2cc(Nc3cccc([O-])c3Cl)cnc21 ZINC001210851808 814650426 /nfs/dbraw/zinc/65/04/26/814650426.db2.gz LOOYDOPGQNVFGY-UHFFFAOYSA-N -1 3 274.711 3.071 20 0 CGADHM CN1Cc2ccc(Nc3cccc([O-])c3Cl)cc2C1=O ZINC001210855405 814652312 /nfs/dbraw/zinc/65/23/12/814652312.db2.gz ZBFCOUMRJMHTKY-UHFFFAOYSA-N -1 3 288.734 3.375 20 0 CGADHM [O-]c1cccc(Nc2ccc(F)cc2OCCO)c1Cl ZINC001210860512 814654911 /nfs/dbraw/zinc/65/49/11/814654911.db2.gz WCARFQOTKOMMJY-UHFFFAOYSA-N -1 3 297.713 3.299 20 0 CGADHM COc1c(F)cc(F)cc1Nc1ncc(Cl)cc1[O-] ZINC001210866230 814657634 /nfs/dbraw/zinc/65/76/34/814657634.db2.gz GXJWYFNKSPHKJH-UHFFFAOYSA-N -1 3 286.665 3.471 20 0 CGADHM CSc1ccc(Nc2cnc(C)[n-]c2=O)cc1F ZINC001211110270 814749971 /nfs/dbraw/zinc/74/99/71/814749971.db2.gz JFROJQFOLQKYIO-UHFFFAOYSA-N -1 3 265.313 3.095 20 0 CGADHM [O-]c1cc(F)cnc1Nc1c(O)cccc1Cl ZINC001215984180 815651099 /nfs/dbraw/zinc/65/10/99/815651099.db2.gz FBQKDUNZIIMUJJ-UHFFFAOYSA-N -1 3 254.648 3.029 20 0 CGADHM Cc1cc(Cl)c(N)c(Nc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC001216091941 815690293 /nfs/dbraw/zinc/69/02/93/815690293.db2.gz MZPZLDVRIMOGHS-UHFFFAOYSA-N -1 3 290.754 3.347 20 0 CGADHM Cc1cccc([O-])c1-c1nc(-c2cccn3ccnc23)no1 ZINC001216540228 815853465 /nfs/dbraw/zinc/85/34/65/815853465.db2.gz HBLUNJFGHQQAGQ-UHFFFAOYSA-N -1 3 292.298 3.065 20 0 CGADHM COc1cnc(-c2noc(-c3c(C)cccc3[O-])n2)c(C)c1 ZINC001216540209 815854122 /nfs/dbraw/zinc/85/41/22/815854122.db2.gz GCDNERXVGHZBGA-UHFFFAOYSA-N -1 3 297.314 3.130 20 0 CGADHM CCOc1cc(Nc2cc(=O)n(-c3ccccc3)[n-]2)ccn1 ZINC001216623654 815878908 /nfs/dbraw/zinc/87/89/08/815878908.db2.gz MSGKJKFVJGJVTE-UHFFFAOYSA-N -1 3 296.330 3.115 20 0 CGADHM Cc1[nH]c2c(ncnc2-c2ccc(F)c([O-])c2)c1C ZINC001243046325 823224188 /nfs/dbraw/zinc/22/41/88/823224188.db2.gz DCHIZMZYQVHIQJ-UHFFFAOYSA-N -1 3 257.268 3.086 20 0 CGADHM O=c1ccc(-c2ccc(F)c([O-])c2)cn1Cc1ccccc1 ZINC001243052437 823228729 /nfs/dbraw/zinc/22/87/29/823228729.db2.gz VKUZGJSYQSOASX-UHFFFAOYSA-N -1 3 295.313 3.408 20 0 CGADHM COC(=O)c1cc(-c2ccc(F)c([O-])c2)c(C)cc1F ZINC001243048403 823225876 /nfs/dbraw/zinc/22/58/76/823225876.db2.gz GHBCYOVTDXUIDL-UHFFFAOYSA-N -1 3 278.254 3.432 20 0 CGADHM Cc1nc(-c2ccc(F)c([O-])c2)cc(-c2ccccn2)n1 ZINC001243050475 823227621 /nfs/dbraw/zinc/22/76/21/823227621.db2.gz UFFPBNRBUFIVMN-UHFFFAOYSA-N -1 3 281.290 3.359 20 0 CGADHM Nc1nc2ccc(-c3ccc(F)c([O-])c3)cc2s1 ZINC001243050973 823227855 /nfs/dbraw/zinc/22/78/55/823227855.db2.gz JKESHXFOUITMOP-UHFFFAOYSA-N -1 3 260.293 3.390 20 0 CGADHM O=c1nc(OC2CCC(F)(F)CC2)c(C(F)(F)F)c[n-]1 ZINC001225580178 817099495 /nfs/dbraw/zinc/09/94/95/817099495.db2.gz UXUOUIBZNNJWFZ-UHFFFAOYSA-N -1 3 298.211 3.158 20 0 CGADHM CC1CCC(Oc2nc(=O)[n-]cc2C(F)(F)F)CC1 ZINC001225579619 817099755 /nfs/dbraw/zinc/09/97/55/817099755.db2.gz NQXYZUPGTYWHBN-UHFFFAOYSA-N -1 3 276.258 3.159 20 0 CGADHM Cc1cnc(=S)[n-]c1O[C@@H]1CCc2c1cc(F)cc2F ZINC001225741497 817163595 /nfs/dbraw/zinc/16/35/95/817163595.db2.gz WSCFNPSVTDJHJU-GFCCVEGCSA-N -1 3 294.326 3.418 20 0 CGADHM CC(=O)c1ccc([O-])c(O[C@H](C)c2cccnc2F)c1 ZINC001225996324 817244029 /nfs/dbraw/zinc/24/40/29/817244029.db2.gz WIJIYKNLASNYDK-SNVBAGLBSA-N -1 3 275.279 3.269 20 0 CGADHM CCc1nc(O[C@@H]2CCc3cccc(C)c32)cc(=O)[n-]1 ZINC001226472900 817369216 /nfs/dbraw/zinc/36/92/16/817369216.db2.gz OSCNJWVDEJDECM-GFCCVEGCSA-N -1 3 270.332 3.119 20 0 CGADHM Cc1nc(O[C@H]2CCc3ccc(Cl)cc32)cc(=O)[n-]1 ZINC001226511924 817381915 /nfs/dbraw/zinc/38/19/15/817381915.db2.gz LNASWXNDLASQLO-LBPRGKRZSA-N -1 3 276.723 3.210 20 0 CGADHM [O-]c1cccc(O[C@@H]2CC(F)(F)C2(F)F)c1Cl ZINC001226709000 817440303 /nfs/dbraw/zinc/44/03/03/817440303.db2.gz KDJFTZLIVJYLIW-SSDOTTSWSA-N -1 3 270.609 3.467 20 0 CGADHM Cc1cc(O[C@@H](C)c2cccs2)[n-]c(=S)n1 ZINC001226799801 817468171 /nfs/dbraw/zinc/46/81/71/817468171.db2.gz AYRPQDBZIFZRFU-QMMMGPOBSA-N -1 3 252.364 3.275 20 0 CGADHM CCc1cnc(=S)[n-]c1O[C@@H](C)c1cccc(OC)c1 ZINC001227062096 817548387 /nfs/dbraw/zinc/54/83/87/817548387.db2.gz SGDBGWIGZUEQRV-JTQLQIEISA-N -1 3 290.388 3.476 20 0 CGADHM C[C@@H](Oc1ccc(=O)[n-]n1)c1ccc(C(F)(F)F)cc1 ZINC001227095803 817556649 /nfs/dbraw/zinc/55/66/49/817556649.db2.gz VUEJQWNWCYDARI-MRVPVSSYSA-N -1 3 284.237 3.341 20 0 CGADHM O=c1ccc(OC2CC(c3ccccc3Cl)C2)n[n-]1 ZINC001227093524 817556674 /nfs/dbraw/zinc/55/66/74/817556674.db2.gz NMFSJRYTTAXUOR-UHFFFAOYSA-N -1 3 276.723 3.161 20 0 CGADHM C[C@H](Oc1ccc(=O)[n-]n1)c1cccc(C(F)(F)F)c1 ZINC001227093630 817556871 /nfs/dbraw/zinc/55/68/71/817556871.db2.gz ORGRXAUDNVFGCJ-QMMMGPOBSA-N -1 3 284.237 3.341 20 0 CGADHM CCCCOC[C@H](C)Oc1cc(=O)cc(C(F)(F)F)[n-]1 ZINC001227586712 817677990 /nfs/dbraw/zinc/67/79/90/817677990.db2.gz NSOKJXVRUAURNG-VIFPVBQESA-N -1 3 293.285 3.390 20 0 CGADHM Cc1ccccc1[C@H](C)Oc1[nH]c(=S)nc2nc[n-]c21 ZINC001227612803 817681961 /nfs/dbraw/zinc/68/19/61/817681961.db2.gz ITZHHNSXZYJMAN-VIFPVBQESA-N -1 3 286.360 3.090 20 0 CGADHM CCC[C@H](Oc1nc(C(=O)OC)ccc1[O-])[C@H](C)CC ZINC001227820613 817726390 /nfs/dbraw/zinc/72/63/90/817726390.db2.gz XQXJKBLLCPMGDO-MFKMUULPSA-N -1 3 281.352 3.167 20 0 CGADHM Cc1cccc([C@H](C)Oc2[n-]c(=O)nc3cccnc32)c1 ZINC001228006981 817783372 /nfs/dbraw/zinc/78/33/72/817783372.db2.gz GUUNSFBGTGMIMV-NSHDSACASA-N -1 3 281.315 3.179 20 0 CGADHM S=c1nc(-c2ccccc2)cc(OC2CCC2)[n-]1 ZINC001228353298 817885949 /nfs/dbraw/zinc/88/59/49/817885949.db2.gz YYVNBPWOMMGVSE-UHFFFAOYSA-N -1 3 258.346 3.364 20 0 CGADHM C[C@@H]1CCC[C@H](C)[C@H]1Oc1nnc(-c2cccnc2)[n-]1 ZINC001228697019 817976923 /nfs/dbraw/zinc/97/69/23/817976923.db2.gz DMQXKRDVSOOWMG-PJXYFTJBSA-N -1 3 272.352 3.070 20 0 CGADHM C[C@@H]1CCC[C@H](C)[C@H]1Oc1nc(-c2cccnc2)n[n-]1 ZINC001228697019 817976927 /nfs/dbraw/zinc/97/69/27/817976927.db2.gz DMQXKRDVSOOWMG-PJXYFTJBSA-N -1 3 272.352 3.070 20 0 CGADHM C[C@@H]1CCC[C@H](C)[C@H]1Oc1n[n-]c(-c2cccnc2)n1 ZINC001228697019 817976933 /nfs/dbraw/zinc/97/69/33/817976933.db2.gz DMQXKRDVSOOWMG-PJXYFTJBSA-N -1 3 272.352 3.070 20 0 CGADHM C[C@@H](Oc1n[n-]c(-c2ccncc2)n1)c1ccc(F)cc1 ZINC001228696652 817977267 /nfs/dbraw/zinc/97/72/67/817977267.db2.gz BCZUTYCUSSKLCX-SNVBAGLBSA-N -1 3 284.294 3.146 20 0 CGADHM Cc1cccc2c1CC[C@H]2Oc1nnc(-c2cccnc2)[n-]1 ZINC001228696404 817977318 /nfs/dbraw/zinc/97/73/18/817977318.db2.gz WTUHUMKLRLWLSL-OAHLLOKOSA-N -1 3 292.342 3.241 20 0 CGADHM Cc1cccc2c1CC[C@H]2Oc1nc(-c2cccnc2)n[n-]1 ZINC001228696404 817977322 /nfs/dbraw/zinc/97/73/22/817977322.db2.gz WTUHUMKLRLWLSL-OAHLLOKOSA-N -1 3 292.342 3.241 20 0 CGADHM Cc1cccc2c1CC[C@H]2Oc1n[n-]c(-c2cccnc2)n1 ZINC001228696404 817977327 /nfs/dbraw/zinc/97/73/27/817977327.db2.gz WTUHUMKLRLWLSL-OAHLLOKOSA-N -1 3 292.342 3.241 20 0 CGADHM CC[C@@H]1CCCC[C@H]1Oc1n[n-]c(-c2ccncc2)n1 ZINC001228697639 817978012 /nfs/dbraw/zinc/97/80/12/817978012.db2.gz MSPRCISNEKLOJG-DGCLKSJQSA-N -1 3 272.352 3.214 20 0 CGADHM CC[C@H](C)CC[C@H](C)Oc1n[n-]c(-c2ccncc2)n1 ZINC001228699932 817979517 /nfs/dbraw/zinc/97/95/17/817979517.db2.gz KWOZHRAMPFEDJB-RYUDHWBXSA-N -1 3 274.368 3.460 20 0 CGADHM CCC1CCC(Oc2nnc(-c3cccnc3)[n-]2)CC1 ZINC001228698774 817979736 /nfs/dbraw/zinc/97/97/36/817979736.db2.gz RYCYCDJAVOFHGE-UHFFFAOYSA-N -1 3 272.352 3.214 20 0 CGADHM CCC1CCC(Oc2nc(-c3cccnc3)n[n-]2)CC1 ZINC001228698774 817979742 /nfs/dbraw/zinc/97/97/42/817979742.db2.gz RYCYCDJAVOFHGE-UHFFFAOYSA-N -1 3 272.352 3.214 20 0 CGADHM CCC1CCC(Oc2n[n-]c(-c3cccnc3)n2)CC1 ZINC001228698774 817979749 /nfs/dbraw/zinc/97/97/49/817979749.db2.gz RYCYCDJAVOFHGE-UHFFFAOYSA-N -1 3 272.352 3.214 20 0 CGADHM COc1ccc([C@H](C)Oc2cc3c(cc2[O-])CCC3=O)cn1 ZINC001228854203 818022986 /nfs/dbraw/zinc/02/29/86/818022986.db2.gz OXGHYXHDEWRPMX-JTQLQIEISA-N -1 3 299.326 3.065 20 0 CGADHM O=C1CCc2cc([O-])c(O[C@@H]3COCc4ccccc43)cc21 ZINC001228853309 818023678 /nfs/dbraw/zinc/02/36/78/818023678.db2.gz GZVMODLDEHDLSE-GOSISDBHSA-N -1 3 296.322 3.171 20 0 CGADHM CO[C@@H](COc1cc2c(cc1[O-])CCC2=O)c1ccccc1 ZINC001228853815 818024056 /nfs/dbraw/zinc/02/40/56/818024056.db2.gz LPZPLRTVMUXZRD-SFHVURJKSA-N -1 3 298.338 3.288 20 0 CGADHM [O-]c1ccc(CN2C[C@@H](F)C[C@H]2CF)cc1C(F)(F)F ZINC001231521001 818119271 /nfs/dbraw/zinc/11/92/71/818119271.db2.gz AJZAYLGYIPQNGS-UWVGGRQHSA-N -1 3 295.251 3.293 20 0 CGADHM [O-]c1cc(CN2C[C@H]3[C@H](CC3(F)F)C2)ccc1Cl ZINC001231731891 818161491 /nfs/dbraw/zinc/16/14/91/818161491.db2.gz RUVSVNZUEXMCEL-ZJUUUORDSA-N -1 3 273.710 3.133 20 0 CGADHM CCCOc1cccc(F)c1-c1ccc(=S)[n-]n1 ZINC001243267491 823318929 /nfs/dbraw/zinc/31/89/29/823318929.db2.gz ADLRYEBGJPGIOF-UHFFFAOYSA-N -1 3 264.325 3.360 20 0 CGADHM C[C@@H]1CCCN(Cc2ccc(F)c([O-])c2F)[C@H]1C ZINC001232934428 818474869 /nfs/dbraw/zinc/47/48/69/818474869.db2.gz FTQOYFOLMRJQRF-ZJUUUORDSA-N -1 3 255.308 3.291 20 0 CGADHM [O-]c1c(F)ccc(CN(CC2CC2)C2CC2)c1F ZINC001232941563 818479881 /nfs/dbraw/zinc/47/98/81/818479881.db2.gz ZESDDIRFUOMGOT-UHFFFAOYSA-N -1 3 253.292 3.045 20 0 CGADHM [O-]c1cc(CN2CCC[C@H]3CCC[C@H]32)cc(F)c1F ZINC001232973265 818486904 /nfs/dbraw/zinc/48/69/04/818486904.db2.gz RBQHNHMYKONWHT-DGCLKSJQSA-N -1 3 267.319 3.435 20 0 CGADHM [O-]c1cc(CN2CC[C@H](c3ccncc3)C2)cc(F)c1F ZINC001232971458 818486959 /nfs/dbraw/zinc/48/69/59/818486959.db2.gz LEICKLUSFXDSIU-ZDUSSCGKSA-N -1 3 290.313 3.055 20 0 CGADHM C[C@@H]1CCCN(Cc2cc(Cl)ncc2[O-])[C@@H]1C ZINC001233036331 818504233 /nfs/dbraw/zinc/50/42/33/818504233.db2.gz OXINSOBWGDPNFO-NXEZZACHSA-N -1 3 254.761 3.061 20 0 CGADHM C[C@@H]1CCCN(Cc2cc(Cl)ncc2[O-])[C@H]1C ZINC001233036337 818505484 /nfs/dbraw/zinc/50/54/84/818505484.db2.gz OXINSOBWGDPNFO-ZJUUUORDSA-N -1 3 254.761 3.061 20 0 CGADHM COc1cccc2c1CN(Cc1cccc([O-])c1F)CC2 ZINC001233050789 818511491 /nfs/dbraw/zinc/51/14/91/818511491.db2.gz VSCJSRSEAABQDJ-UHFFFAOYSA-N -1 3 287.334 3.098 20 0 CGADHM Cc1cc([O-])c(Cl)cc1OC[C@@H]1CCC=CO1 ZINC001233593065 818652423 /nfs/dbraw/zinc/65/24/23/818652423.db2.gz TYQQTHJGXMGEPQ-JTQLQIEISA-N -1 3 254.713 3.426 20 0 CGADHM Cc1cc([O-])c(Cl)cc1O[C@@H]1CCCC2(C1)OCCO2 ZINC001233594258 818653998 /nfs/dbraw/zinc/65/39/98/818653998.db2.gz IBRIDIOLCIUMSQ-LLVKDONJSA-N -1 3 298.766 3.419 20 0 CGADHM [O-]c1coc2ccc(O[C@H]3CCc4ccccc43)cc12 ZINC001233676221 818677444 /nfs/dbraw/zinc/67/74/44/818677444.db2.gz CGCRKMZBNPKAHL-KRWDZBQOSA-N -1 3 266.296 3.328 20 0 CGADHM [O-]c1cccc(O[C@@H]2CCc3ccccc3C2)c1F ZINC001233870936 818722516 /nfs/dbraw/zinc/72/25/16/818722516.db2.gz JYNGOMDUKSPJBQ-CYBMUJFWSA-N -1 3 258.292 3.468 20 0 CGADHM C[C@H](Oc1cccc([O-])c1F)c1ncccc1F ZINC001233871512 818722683 /nfs/dbraw/zinc/72/26/83/818722683.db2.gz PIBHDSPFZRWEPH-QMMMGPOBSA-N -1 3 251.232 3.205 20 0 CGADHM NC(=O)c1c([O-])cccc1O[C@H](c1ccccc1)C1CC1 ZINC001234147821 818791717 /nfs/dbraw/zinc/79/17/17/818791717.db2.gz XTMKZPPFHUCDJP-MRXNPFEDSA-N -1 3 283.327 3.021 20 0 CGADHM COc1cc(CN(C)C)cc(F)c1O[C@@H](C)C1=CC=C[CH]1 ZINC001234244200 818815399 /nfs/dbraw/zinc/81/53/99/818815399.db2.gz NFDVGIBAFNSHQG-LBPRGKRZSA-N -1 3 290.358 3.364 20 0 CGADHM [O-]c1ccc(Cl)c(OC2CCSCC2)c1F ZINC001234263478 818820010 /nfs/dbraw/zinc/82/00/10/818820010.db2.gz BXECPWVVCXEUDE-UHFFFAOYSA-N -1 3 262.733 3.459 20 0 CGADHM Clc1cc(-c2ccc(-c3nnn[n-]3)cc2)cc(Cl)n1 ZINC001243368308 823374081 /nfs/dbraw/zinc/37/40/81/823374081.db2.gz SJKCYKBMLOFGKA-UHFFFAOYSA-N -1 3 292.129 3.236 20 0 CGADHM Clc1cc(-c2ccc(-c3nn[n-]n3)cc2)cc(Cl)n1 ZINC001243368308 823374087 /nfs/dbraw/zinc/37/40/87/823374087.db2.gz SJKCYKBMLOFGKA-UHFFFAOYSA-N -1 3 292.129 3.236 20 0 CGADHM O=c1[n-]cnc(O[C@@H]2C=CCCC2)c1-c1ccccc1 ZINC001234690830 818917361 /nfs/dbraw/zinc/91/73/61/818917361.db2.gz FLDHPUDRRSNERW-CYBMUJFWSA-N -1 3 268.316 3.337 20 0 CGADHM FC1(F)C[C@@H](Oc2nc3ccsc3[n-]2)C1(F)F ZINC001234846206 818930724 /nfs/dbraw/zinc/93/07/24/818930724.db2.gz ADJSSBNDZLVNHD-RXMQYKEDSA-N -1 3 266.219 3.046 20 0 CGADHM CN(C)/C=C/c1ccncc1-c1ccc(/C=C/C(=O)[O-])cc1 ZINC001235690629 819142825 /nfs/dbraw/zinc/14/28/25/819142825.db2.gz HAPIWVWCWBIOLG-JPFJJCCVSA-N -1 3 294.354 3.379 20 0 CGADHM [O-]c1cc(Cl)cc(-c2nccc(NC3CC3)n2)c1 ZINC001235900015 819209845 /nfs/dbraw/zinc/20/98/45/819209845.db2.gz RXYSIDLUKAPOAC-UHFFFAOYSA-N -1 3 261.712 3.077 20 0 CGADHM Cc1nc2[nH]ccc2c(-c2cc([O-])cc(Cl)c2)n1 ZINC001235900555 819210387 /nfs/dbraw/zinc/21/03/87/819210387.db2.gz PDCCYLJFGPOIJX-UHFFFAOYSA-N -1 3 259.696 3.244 20 0 CGADHM [O-]c1cc(Cl)cc(-c2ncnc3c2ncn3C2CC2)c1 ZINC001235900480 819211282 /nfs/dbraw/zinc/21/12/82/819211282.db2.gz OJHCMXHRPIZAGM-UHFFFAOYSA-N -1 3 286.722 3.187 20 0 CGADHM Oc1cc(Cl)cc(-c2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC001235905317 819214985 /nfs/dbraw/zinc/21/49/85/819214985.db2.gz XLOQMOOFUXWXHF-UHFFFAOYSA-N -1 3 290.685 3.032 20 0 CGADHM Oc1cc(Cl)cc(-c2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC001235905317 819214993 /nfs/dbraw/zinc/21/49/93/819214993.db2.gz XLOQMOOFUXWXHF-UHFFFAOYSA-N -1 3 290.685 3.032 20 0 CGADHM CC(=O)Nc1cccnc1-c1cc([O-])cc(Cl)c1 ZINC001235906986 819215370 /nfs/dbraw/zinc/21/53/70/819215370.db2.gz SLZYJQYFMGZOBD-UHFFFAOYSA-N -1 3 262.696 3.066 20 0 CGADHM CCOC(=O)c1c(F)cncc1-c1cc([O-])cc(Cl)c1 ZINC001235906543 819216153 /nfs/dbraw/zinc/21/61/53/819216153.db2.gz MEXPORMMAHLPOG-UHFFFAOYSA-N -1 3 295.697 3.423 20 0 CGADHM C[C@H]1CCCN1Cc1ccc(Br)c([O-])c1 ZINC001236692092 819573472 /nfs/dbraw/zinc/57/34/72/819573472.db2.gz OCLVZMGOHJTTIE-VIFPVBQESA-N -1 3 270.170 3.139 20 0 CGADHM [O-]c1cc(CN2CC[C@](CF)(C(F)(F)F)C2)ccc1F ZINC001236703312 819577294 /nfs/dbraw/zinc/57/72/94/819577294.db2.gz MZYUYDHGQQBENI-GFCCVEGCSA-N -1 3 295.251 3.255 20 0 CGADHM C[C@@H]1C(=O)CCN(Cc2ccc(F)c([O-])c2)C12CCCC2 ZINC001236714065 819580437 /nfs/dbraw/zinc/58/04/37/819580437.db2.gz QUTQDWAQJHJDTA-GFCCVEGCSA-N -1 3 291.366 3.255 20 0 CGADHM [S-]c1ccoc1CN1CCc2ncc(Cl)cc2C1 ZINC001237183896 819690383 /nfs/dbraw/zinc/69/03/83/819690383.db2.gz MCUCDAWRVIMMDD-UHFFFAOYSA-N -1 3 280.780 3.175 20 0 CGADHM [O-]c1cc(F)c(CN2CCNC3=CCCC[C@@H]32)cc1Cl ZINC001237230731 819705985 /nfs/dbraw/zinc/70/59/85/819705985.db2.gz UVNZKTPOJBEEIR-AWEZNQCLSA-N -1 3 296.773 3.026 20 0 CGADHM [O-]c1c(CN2CCC3(CCC3)C2)cc(Cl)nc1Cl ZINC001237540602 819774314 /nfs/dbraw/zinc/77/43/14/819774314.db2.gz YUFFNZHBJDPOIE-UHFFFAOYSA-N -1 3 287.190 3.470 20 0 CGADHM [O-]c1cccc(-c2ncnc3[nH]c4c(c32)CCCC4)c1F ZINC001243541087 823435850 /nfs/dbraw/zinc/43/58/50/823435850.db2.gz DBTVOBDYIZNBBU-UHFFFAOYSA-N -1 3 283.306 3.348 20 0 CGADHM C[C@H]1C[C@H]2CN(Cc3cc(F)c([O-])c(Cl)c3)CC[C@H]2O1 ZINC001237991244 819904591 /nfs/dbraw/zinc/90/45/91/819904591.db2.gz WRMOJYHCKLMPGN-NURSFMCSSA-N -1 3 299.773 3.184 20 0 CGADHM COc1c(F)c(F)ccc1-c1cccc([O-])c1F ZINC001243545558 823437969 /nfs/dbraw/zinc/43/79/69/823437969.db2.gz FATGDDAUJBNCCV-UHFFFAOYSA-N -1 3 254.207 3.485 20 0 CGADHM COC(=O)c1ccc(-c2cccc([O-])c2F)c(C)c1 ZINC001243545192 823437973 /nfs/dbraw/zinc/43/79/73/823437973.db2.gz XDVHVNAXQBRMFI-UHFFFAOYSA-N -1 3 260.264 3.293 20 0 CGADHM COC(=O)c1cc(F)c(C)c(-c2cccc([O-])c2F)c1 ZINC001243546194 823438721 /nfs/dbraw/zinc/43/87/21/823438721.db2.gz WNPOSHCDEOWKNC-UHFFFAOYSA-N -1 3 278.254 3.432 20 0 CGADHM CCOC(=O)c1cnc(C)c(-c2cccc([O-])c2F)c1 ZINC001243546639 823438728 /nfs/dbraw/zinc/43/87/28/823438728.db2.gz BIWOJKMHFGCNTL-UHFFFAOYSA-N -1 3 275.279 3.078 20 0 CGADHM COc1c(C)nc(C2CC2)nc1-c1cccc([O-])c1F ZINC001243546945 823438873 /nfs/dbraw/zinc/43/88/73/823438873.db2.gz RVWHADCYCZRQRV-UHFFFAOYSA-N -1 3 274.295 3.183 20 0 CGADHM COC(=O)c1cc2c(cccc2-c2cccc([O-])c2F)[nH]1 ZINC001243547127 823439457 /nfs/dbraw/zinc/43/94/57/823439457.db2.gz MZOAQLQQVPJVJA-UHFFFAOYSA-N -1 3 285.274 3.466 20 0 CGADHM CC(C)CN(C)Cc1c(Br)ccc([O-])c1F ZINC001238304481 819973283 /nfs/dbraw/zinc/97/32/83/819973283.db2.gz DTOLTIRDXJOOLR-UHFFFAOYSA-N -1 3 290.176 3.382 20 0 CGADHM c1cc(-c2ccc(C3CC3)cc2)ccc1Cc1nnn[n-]1 ZINC001238838201 820131135 /nfs/dbraw/zinc/13/11/35/820131135.db2.gz PEYFSWWQBNSWDZ-UHFFFAOYSA-N -1 3 276.343 3.335 20 0 CGADHM c1cc(-c2ccc(C3CC3)cc2)ccc1Cc1nn[n-]n1 ZINC001238838201 820131140 /nfs/dbraw/zinc/13/11/40/820131140.db2.gz PEYFSWWQBNSWDZ-UHFFFAOYSA-N -1 3 276.343 3.335 20 0 CGADHM CC(C)n1ccc(-c2cc(F)cc(-c3nnn[n-]3)c2)c1 ZINC001239078815 820215742 /nfs/dbraw/zinc/21/57/42/820215742.db2.gz DUTQLXDDXBTOCN-UHFFFAOYSA-N -1 3 271.299 3.055 20 0 CGADHM CC(C)n1ccc(-c2cc(F)cc(-c3nn[n-]n3)c2)c1 ZINC001239078815 820215750 /nfs/dbraw/zinc/21/57/50/820215750.db2.gz DUTQLXDDXBTOCN-UHFFFAOYSA-N -1 3 271.299 3.055 20 0 CGADHM Nc1ccnc(-c2ccc(C(F)(F)F)cc2[O-])c1 ZINC001243604629 823463637 /nfs/dbraw/zinc/46/36/37/823463637.db2.gz OLKSCQRSZGVHCD-UHFFFAOYSA-N -1 3 254.211 3.055 20 0 CGADHM [O-]c1cc(C(F)(F)F)ccc1-c1c[nH]cc2ncnc1-2 ZINC001243608519 823465725 /nfs/dbraw/zinc/46/57/25/823465725.db2.gz JMKXXISJECYCRN-UHFFFAOYSA-N -1 3 279.221 3.349 20 0 CGADHM CSc1ncc(Cl)cc1-c1ccc(=S)[n-]n1 ZINC001243621951 823470226 /nfs/dbraw/zinc/47/02/26/823470226.db2.gz HJRHIZBQEYIUTD-UHFFFAOYSA-N -1 3 269.782 3.203 20 0 CGADHM Cc1ccc(-c2c(F)cccc2F)cc1-c1nnn[n-]1 ZINC001239575437 820424680 /nfs/dbraw/zinc/42/46/80/820424680.db2.gz CNAIIIWBBDQFNJ-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM Cc1ccc(-c2c(F)cccc2F)cc1-c1nn[n-]n1 ZINC001239575437 820424688 /nfs/dbraw/zinc/42/46/88/820424688.db2.gz CNAIIIWBBDQFNJ-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM Cc1cccc(-c2cccc(-c3nnn[n-]3)c2)c1C ZINC001239716826 820543583 /nfs/dbraw/zinc/54/35/83/820543583.db2.gz XMRFDGZEAFPQKL-UHFFFAOYSA-N -1 3 250.305 3.151 20 0 CGADHM Cc1cccc(-c2cccc(-c3nn[n-]n3)c2)c1C ZINC001239716826 820543586 /nfs/dbraw/zinc/54/35/86/820543586.db2.gz XMRFDGZEAFPQKL-UHFFFAOYSA-N -1 3 250.305 3.151 20 0 CGADHM c1ccc2c(c1)nccc2-c1cccc(-c2nnn[n-]2)c1 ZINC001239853283 820659642 /nfs/dbraw/zinc/65/96/42/820659642.db2.gz QKWZJHQKANUMQH-UHFFFAOYSA-N -1 3 273.299 3.082 20 0 CGADHM c1ccc2c(c1)nccc2-c1cccc(-c2nn[n-]n2)c1 ZINC001239853283 820659645 /nfs/dbraw/zinc/65/96/45/820659645.db2.gz QKWZJHQKANUMQH-UHFFFAOYSA-N -1 3 273.299 3.082 20 0 CGADHM Cc1cc(-c2nnn[n-]2)ccc1-c1ccc2c(ccn2C)c1 ZINC001239943903 820725090 /nfs/dbraw/zinc/72/50/90/820725090.db2.gz QUHDCIMCKHJIKE-UHFFFAOYSA-N -1 3 289.342 3.334 20 0 CGADHM Cc1cc(-c2nn[n-]n2)ccc1-c1ccc2c(ccn2C)c1 ZINC001239943903 820725095 /nfs/dbraw/zinc/72/50/95/820725095.db2.gz QUHDCIMCKHJIKE-UHFFFAOYSA-N -1 3 289.342 3.334 20 0 CGADHM CC(C)Oc1ccc(-c2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC001239959457 820738944 /nfs/dbraw/zinc/73/89/44/820738944.db2.gz JSHROGRALZIAAA-UHFFFAOYSA-N -1 3 298.321 3.460 20 0 CGADHM CC(C)Oc1ccc(-c2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC001239959457 820738950 /nfs/dbraw/zinc/73/89/50/820738950.db2.gz JSHROGRALZIAAA-UHFFFAOYSA-N -1 3 298.321 3.460 20 0 CGADHM Cc1ccc(F)c(-c2cc(-c3nnn[n-]3)ccc2F)c1 ZINC001239963309 820741970 /nfs/dbraw/zinc/74/19/70/820741970.db2.gz AWPSUAHCPQDGOZ-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM Cc1ccc(F)c(-c2cc(-c3nn[n-]n3)ccc2F)c1 ZINC001239963309 820741975 /nfs/dbraw/zinc/74/19/75/820741975.db2.gz AWPSUAHCPQDGOZ-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM Cc1cc(-c2nnn[n-]2)ccc1-c1cccc2cnccc21 ZINC001240012042 820778864 /nfs/dbraw/zinc/77/88/64/820778864.db2.gz XGLDNLSNUSLLPC-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM Cc1cc(-c2nn[n-]n2)ccc1-c1cccc2cnccc21 ZINC001240012042 820778867 /nfs/dbraw/zinc/77/88/67/820778867.db2.gz XGLDNLSNUSLLPC-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM c1ccc(-c2cccc(N3CCCC3)c2)c(-c2nnn[n-]2)c1 ZINC001240535013 821129995 /nfs/dbraw/zinc/12/99/95/821129995.db2.gz MJISNRWENISKLC-UHFFFAOYSA-N -1 3 291.358 3.134 20 0 CGADHM c1ccc(-c2cccc(N3CCCC3)c2)c(-c2nn[n-]n2)c1 ZINC001240535013 821130002 /nfs/dbraw/zinc/13/00/02/821130002.db2.gz MJISNRWENISKLC-UHFFFAOYSA-N -1 3 291.358 3.134 20 0 CGADHM CN(C)/C=C/c1ccncc1-c1cccc(/C=C/C(=O)[O-])c1 ZINC001240552573 821137616 /nfs/dbraw/zinc/13/76/16/821137616.db2.gz JAFVQKBDTHTGAF-RXUIJTJXSA-N -1 3 294.354 3.379 20 0 CGADHM COC(=O)c1cc2cc(-c3ccc([O-])c(F)c3)ccc2[nH]1 ZINC001240785547 821325894 /nfs/dbraw/zinc/32/58/94/821325894.db2.gz DVTLUVPVODCJJL-UHFFFAOYSA-N -1 3 285.274 3.466 20 0 CGADHM [O-]c1ccc(-c2ccccc2N2CCOCC2)cc1F ZINC001240786268 821326520 /nfs/dbraw/zinc/32/65/20/821326520.db2.gz DDOFUGWIRHPZGZ-UHFFFAOYSA-N -1 3 273.307 3.035 20 0 CGADHM [O-]c1ccc(-c2ccc3c(c2)[C@H](O)CCO3)cc1F ZINC001240786223 821327291 /nfs/dbraw/zinc/32/72/91/821327291.db2.gz BREBIPYAXXGOGL-CYBMUJFWSA-N -1 3 260.264 3.014 20 0 CGADHM COC(=O)c1ccc(C)c(-c2ccc([O-])c(F)c2)c1 ZINC001240787053 821328438 /nfs/dbraw/zinc/32/84/38/821328438.db2.gz IVWZCCDICHBZMO-UHFFFAOYSA-N -1 3 260.264 3.293 20 0 CGADHM COC(=O)c1c[nH]c2c1cccc2-c1ccc([O-])c(F)c1 ZINC001240787660 821328779 /nfs/dbraw/zinc/32/87/79/821328779.db2.gz NABMJSYSBIUOBX-UHFFFAOYSA-N -1 3 285.274 3.466 20 0 CGADHM COC(=O)c1cc2ccc(-c3ccc([O-])c(F)c3)cc2n1C ZINC001240787339 821329811 /nfs/dbraw/zinc/32/98/11/821329811.db2.gz YWQWDGYAGWMFOA-UHFFFAOYSA-N -1 3 299.301 3.477 20 0 CGADHM [O-]c1ccc(-c2cn3ncnc3cc2C(F)(F)F)cc1F ZINC001240788891 821330384 /nfs/dbraw/zinc/33/03/84/821330384.db2.gz NAEDWLOKJNJRGK-UHFFFAOYSA-N -1 3 297.211 3.260 20 0 CGADHM CCn1nnc2c1ccc(-c1ccc([O-])c(F)c1)c2C ZINC001240788581 821330550 /nfs/dbraw/zinc/33/05/50/821330550.db2.gz IEYGMZDSDYYLAQ-UHFFFAOYSA-N -1 3 271.295 3.271 20 0 CGADHM O=c1ccc(-c2ccc([O-])c(F)c2)cn1CC1CCC1 ZINC001240790070 821332663 /nfs/dbraw/zinc/33/26/63/821332663.db2.gz JKANSRFNYBYFLP-UHFFFAOYSA-N -1 3 273.307 3.160 20 0 CGADHM Cc1cc(-c2nnn[n-]2)ccc1-c1cc(F)c(F)c(F)c1 ZINC001240981563 821464384 /nfs/dbraw/zinc/46/43/84/821464384.db2.gz DACWEBQSUNWWJB-UHFFFAOYSA-N -1 3 290.248 3.259 20 0 CGADHM Cc1cc(-c2nn[n-]n2)ccc1-c1cc(F)c(F)c(F)c1 ZINC001240981563 821464388 /nfs/dbraw/zinc/46/43/88/821464388.db2.gz DACWEBQSUNWWJB-UHFFFAOYSA-N -1 3 290.248 3.259 20 0 CGADHM COc1ccc2c(c1)ncnc2-c1ccccc1[O-] ZINC001241003823 821483149 /nfs/dbraw/zinc/48/31/49/821483149.db2.gz VAZASZQLDZVQAD-UHFFFAOYSA-N -1 3 252.273 3.011 20 0 CGADHM COC(=O)c1ccc2cc(-c3ccccc3[O-])ncc2c1 ZINC001241009119 821485492 /nfs/dbraw/zinc/48/54/92/821485492.db2.gz ZJKNLOOXAFTZJK-UHFFFAOYSA-N -1 3 279.295 3.394 20 0 CGADHM CCc1cc(-c2ccccc2[O-])nc(-c2ccccn2)n1 ZINC001241009783 821486934 /nfs/dbraw/zinc/48/69/34/821486934.db2.gz XGCARLIWBIIKAM-UHFFFAOYSA-N -1 3 277.327 3.474 20 0 CGADHM Cc1nc(-c2cccnc2)cc(-c2ccccc2[O-])n1 ZINC001241009181 821486974 /nfs/dbraw/zinc/48/69/74/821486974.db2.gz NRSRUHMRYVMYIG-UHFFFAOYSA-N -1 3 263.300 3.220 20 0 CGADHM [O-]c1ccccc1-c1cc(OCc2ccccc2)ncn1 ZINC001241009471 821487145 /nfs/dbraw/zinc/48/71/45/821487145.db2.gz QWYXLZGCOBJFFD-UHFFFAOYSA-N -1 3 278.311 3.428 20 0 CGADHM COc1c(C)cc(-c2ccc(-c3nnn[n-]3)cc2C)cc1C ZINC001241018485 821494489 /nfs/dbraw/zinc/49/44/89/821494489.db2.gz SYEUQVRHEPTORZ-UHFFFAOYSA-N -1 3 294.358 3.468 20 0 CGADHM COc1c(C)cc(-c2ccc(-c3nn[n-]n3)cc2C)cc1C ZINC001241018485 821494496 /nfs/dbraw/zinc/49/44/96/821494496.db2.gz SYEUQVRHEPTORZ-UHFFFAOYSA-N -1 3 294.358 3.468 20 0 CGADHM O=C([O-])c1ccc(-c2cc(N3CCCC3)ccn2)cc1F ZINC001241183707 821620993 /nfs/dbraw/zinc/62/09/93/821620993.db2.gz BPGWVZKJQSQKDE-UHFFFAOYSA-N -1 3 286.306 3.186 20 0 CGADHM Cc1nc(-c2cc([O-])cc(F)c2)cc(-c2ccccn2)n1 ZINC001241261583 821680959 /nfs/dbraw/zinc/68/09/59/821680959.db2.gz CGAYCECDUIQAGQ-UHFFFAOYSA-N -1 3 281.290 3.359 20 0 CGADHM O=C(c1ccccc1-c1cc([O-])cc(F)c1)N1CCCC1 ZINC001241266159 821685661 /nfs/dbraw/zinc/68/56/61/821685661.db2.gz GKJFCMVSDPLOJU-UHFFFAOYSA-N -1 3 285.318 3.434 20 0 CGADHM [O-]c1cc(F)cc(-c2cncnc2C(F)(F)F)c1 ZINC001241271315 821689636 /nfs/dbraw/zinc/68/96/36/821689636.db2.gz BIKCFRNGJQCDDR-UHFFFAOYSA-N -1 3 258.174 3.007 20 0 CGADHM Nc1ccc2cc(-c3cc([O-])cc(F)c3)ccc2n1 ZINC001241276978 821695699 /nfs/dbraw/zinc/69/56/99/821695699.db2.gz FHIITALOLVGREH-UHFFFAOYSA-N -1 3 254.264 3.329 20 0 CGADHM COC(=O)c1ccccc1-c1c(F)ccc([O-])c1F ZINC001241291767 821709336 /nfs/dbraw/zinc/70/93/36/821709336.db2.gz WKJZHKNEXCSATN-UHFFFAOYSA-N -1 3 264.227 3.124 20 0 CGADHM Cc1c2cc[nH]c2ncc1-c1c(F)ccc([O-])c1F ZINC001241292663 821709444 /nfs/dbraw/zinc/70/94/44/821709444.db2.gz GRFDLKBDHYNNCX-UHFFFAOYSA-N -1 3 260.243 3.474 20 0 CGADHM COC(=O)c1cc(-c2c(F)ccc([O-])c2F)ccc1OC ZINC001241294144 821712866 /nfs/dbraw/zinc/71/28/66/821712866.db2.gz WHNWGDDMRLJMMD-UHFFFAOYSA-N -1 3 294.253 3.133 20 0 CGADHM CCOc1cc(F)ccc1-c1ccc(C)c(-c2nnn[n-]2)c1 ZINC001241321284 821731523 /nfs/dbraw/zinc/73/15/23/821731523.db2.gz JQHYDFGDKKROAC-UHFFFAOYSA-N -1 3 298.321 3.380 20 0 CGADHM CCOc1cc(F)ccc1-c1ccc(C)c(-c2nn[n-]n2)c1 ZINC001241321284 821731525 /nfs/dbraw/zinc/73/15/25/821731525.db2.gz JQHYDFGDKKROAC-UHFFFAOYSA-N -1 3 298.321 3.380 20 0 CGADHM FC(F)Oc1cccc(-c2ccc(-c3nnn[n-]3)cc2)c1 ZINC001241444767 821837703 /nfs/dbraw/zinc/83/77/03/821837703.db2.gz VGGLGILJRVIXQE-UHFFFAOYSA-N -1 3 288.257 3.135 20 0 CGADHM FC(F)Oc1cccc(-c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001241444767 821837708 /nfs/dbraw/zinc/83/77/08/821837708.db2.gz VGGLGILJRVIXQE-UHFFFAOYSA-N -1 3 288.257 3.135 20 0 CGADHM CCc1nc2cc(-c3ccc(-c4nnn[n-]4)cc3)ccc2o1 ZINC001241444287 821838074 /nfs/dbraw/zinc/83/80/74/821838074.db2.gz QOAVINFYRZGTKM-UHFFFAOYSA-N -1 3 291.314 3.237 20 0 CGADHM CCc1nc2cc(-c3ccc(-c4nn[n-]n4)cc3)ccc2o1 ZINC001241444287 821838081 /nfs/dbraw/zinc/83/80/81/821838081.db2.gz QOAVINFYRZGTKM-UHFFFAOYSA-N -1 3 291.314 3.237 20 0 CGADHM Fc1ccc(-c2ccc(-c3nnn[n-]3)cc2)c2cc[nH]c21 ZINC001241443985 821839001 /nfs/dbraw/zinc/83/90/01/821839001.db2.gz LOKCSXBXIOLLMP-UHFFFAOYSA-N -1 3 279.278 3.154 20 0 CGADHM Fc1ccc(-c2ccc(-c3nn[n-]n3)cc2)c2cc[nH]c21 ZINC001241443985 821839013 /nfs/dbraw/zinc/83/90/13/821839013.db2.gz LOKCSXBXIOLLMP-UHFFFAOYSA-N -1 3 279.278 3.154 20 0 CGADHM c1cc(-c2ccc(-c3nnn[n-]3)cc2)ccc1OC1CC1 ZINC001241445314 821840808 /nfs/dbraw/zinc/84/08/08/821840808.db2.gz LPIOMBFWOAYMIY-UHFFFAOYSA-N -1 3 278.315 3.075 20 0 CGADHM c1cc(-c2ccc(-c3nn[n-]n3)cc2)ccc1OC1CC1 ZINC001241445314 821840818 /nfs/dbraw/zinc/84/08/18/821840818.db2.gz LPIOMBFWOAYMIY-UHFFFAOYSA-N -1 3 278.315 3.075 20 0 CGADHM COc1c(C)cc(C)cc1-c1ccc(-c2nnn[n-]2)cc1 ZINC001241446691 821843513 /nfs/dbraw/zinc/84/35/13/821843513.db2.gz NHOOFPNFNXGRDR-UHFFFAOYSA-N -1 3 280.331 3.159 20 0 CGADHM COc1c(C)cc(C)cc1-c1ccc(-c2nn[n-]n2)cc1 ZINC001241446691 821843517 /nfs/dbraw/zinc/84/35/17/821843517.db2.gz NHOOFPNFNXGRDR-UHFFFAOYSA-N -1 3 280.331 3.159 20 0 CGADHM Fc1cc(-c2nnn[n-]2)cc(-c2ccc3scnc3c2)c1 ZINC001241869355 822187912 /nfs/dbraw/zinc/18/79/12/822187912.db2.gz KGKGPYXPEUFWLD-UHFFFAOYSA-N -1 3 297.318 3.283 20 0 CGADHM Fc1cc(-c2nn[n-]n2)cc(-c2ccc3scnc3c2)c1 ZINC001241869355 822187914 /nfs/dbraw/zinc/18/79/14/822187914.db2.gz KGKGPYXPEUFWLD-UHFFFAOYSA-N -1 3 297.318 3.283 20 0 CGADHM C=Cc1cccc(-c2cc(-c3nnn[n-]3)ccc2OC)c1 ZINC001241956571 822245780 /nfs/dbraw/zinc/24/57/80/822245780.db2.gz PKLJILUXGAKFFY-UHFFFAOYSA-N -1 3 278.315 3.185 20 0 CGADHM C=Cc1cccc(-c2cc(-c3nn[n-]n3)ccc2OC)c1 ZINC001241956571 822245790 /nfs/dbraw/zinc/24/57/90/822245790.db2.gz PKLJILUXGAKFFY-UHFFFAOYSA-N -1 3 278.315 3.185 20 0 CGADHM C=Cc1ccccc1-c1ccc(-c2nnn[n-]2)cc1C ZINC001242015144 822279870 /nfs/dbraw/zinc/27/98/70/822279870.db2.gz KLGOZSQYDQCKLC-UHFFFAOYSA-N -1 3 262.316 3.485 20 0 CGADHM C=Cc1ccccc1-c1ccc(-c2nn[n-]n2)cc1C ZINC001242015144 822279876 /nfs/dbraw/zinc/27/98/76/822279876.db2.gz KLGOZSQYDQCKLC-UHFFFAOYSA-N -1 3 262.316 3.485 20 0 CGADHM CO[C@H](C)c1cccc(-c2cc(-c3nnn[n-]3)ccc2F)c1 ZINC001242037472 822298844 /nfs/dbraw/zinc/29/88/44/822298844.db2.gz VMJNOVINULNWDJ-SNVBAGLBSA-N -1 3 298.321 3.380 20 0 CGADHM CO[C@H](C)c1cccc(-c2cc(-c3nn[n-]n3)ccc2F)c1 ZINC001242037472 822298848 /nfs/dbraw/zinc/29/88/48/822298848.db2.gz VMJNOVINULNWDJ-SNVBAGLBSA-N -1 3 298.321 3.380 20 0 CGADHM COc1c(F)c(F)ccc1-c1ccc(F)cc1[O-] ZINC001242219345 822915670 /nfs/dbraw/zinc/91/56/70/822915670.db2.gz FDUQLFDFFGWZDR-UHFFFAOYSA-N -1 3 254.207 3.485 20 0 CGADHM [O-]c1ccc(-c2cnc3[nH]cnc3c2)cc1C(F)(F)F ZINC001242157150 822898346 /nfs/dbraw/zinc/89/83/46/822898346.db2.gz FJBDOQPYIZRAHB-UHFFFAOYSA-N -1 3 279.221 3.349 20 0 CGADHM C[C@H]1C(=O)Nc2cc(-c3ccc(F)cc3[O-])ccc21 ZINC001242218213 822915167 /nfs/dbraw/zinc/91/51/67/822915167.db2.gz XYJMAHJYIJKLTM-MRVPVSSYSA-N -1 3 257.264 3.254 20 0 CGADHM CC1(c2ccc(-c3ccc(F)cc3[O-])cc2)COC1 ZINC001242220543 822917001 /nfs/dbraw/zinc/91/70/01/822917001.db2.gz CTNXHIPVGNRJGD-UHFFFAOYSA-N -1 3 258.292 3.486 20 0 CGADHM Cc1ncc2ccc(-c3cccc(F)c3[O-])cc2n1 ZINC001242350849 822961373 /nfs/dbraw/zinc/96/13/73/822961373.db2.gz NOMNONOWPIWSOH-UHFFFAOYSA-N -1 3 254.264 3.450 20 0 CGADHM CC(C)Cn1ccc(-c2cccc(F)c2[O-])cc1=O ZINC001242352867 822962375 /nfs/dbraw/zinc/96/23/75/822962375.db2.gz SZOHXBRKWCFKIR-UHFFFAOYSA-N -1 3 261.296 3.016 20 0 CGADHM COC(=O)[C@@H](C)c1cccc(-c2cccc(F)c2[O-])c1 ZINC001242352624 822962739 /nfs/dbraw/zinc/96/27/39/822962739.db2.gz AZCACXAQFOXCBB-JTQLQIEISA-N -1 3 274.291 3.475 20 0 CGADHM CC1(C)NC(=O)Cc2c(-c3cccc(F)c3[O-])cccc21 ZINC001242353411 822962856 /nfs/dbraw/zinc/96/28/56/822962856.db2.gz ONCJFUSDVDKBAQ-UHFFFAOYSA-N -1 3 285.318 3.106 20 0 CGADHM COc1ncc(-c2ccc3c(c2)[N-]C(=S)C3)cc1C ZINC001242432444 822992260 /nfs/dbraw/zinc/99/22/60/822992260.db2.gz GFLJCWWRTMVEPP-UHFFFAOYSA-N -1 3 270.357 3.361 20 0 CGADHM CC(C)c1noc([N-][C@@H]2CCCc3cnn(C(C)C)c32)n1 ZINC001342615714 936471787 /nfs/dbraw/zinc/47/17/87/936471787.db2.gz VXIZQWSKTHFSIP-GFCCVEGCSA-N -1 3 289.383 3.460 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)NC[C@@H]1C[C@@H]1C1CCCC1 ZINC001347569879 936889040 /nfs/dbraw/zinc/88/90/40/936889040.db2.gz SAYSIXWRWCSLSJ-UONOGXRCSA-N -1 3 291.366 3.016 20 0 CGADHM Cc1cccc(C(=O)N(C)c2cccc3c2CCCN3)c1[O-] ZINC001353669810 937074025 /nfs/dbraw/zinc/07/40/25/937074025.db2.gz PHDQFHIUDZCDAO-UHFFFAOYSA-N -1 3 296.370 3.335 20 0 CGADHM CC(=O)c1ccc(C(=O)[N-]c2cnoc2C(C)C)c(F)c1 ZINC001353790348 937077433 /nfs/dbraw/zinc/07/74/33/937077433.db2.gz UVYBXUZZWLGEEM-UHFFFAOYSA-N -1 3 290.294 3.392 20 0 CGADHM Cc1cccc([O-])c1C(=O)NCc1c(F)cccc1Cl ZINC001441114829 937336300 /nfs/dbraw/zinc/33/63/00/937336300.db2.gz FPOODBJXFVQPKF-UHFFFAOYSA-N -1 3 293.725 3.423 20 0 CGADHM Cc1cccc([O-])c1C(=O)NCc1ccc([C@@H]2C[C@H]2C)o1 ZINC001441751801 937339385 /nfs/dbraw/zinc/33/93/85/937339385.db2.gz ZTSVQCQFGXIHMH-DGCLKSJQSA-N -1 3 285.343 3.347 20 0 CGADHM CC[C@@H](Cc1ccccc1)NC(=O)c1c([O-])cccc1OC ZINC001443070692 937345559 /nfs/dbraw/zinc/34/55/59/937345559.db2.gz ZHJWSLVMBUMOQC-AWEZNQCLSA-N -1 3 299.370 3.152 20 0 CGADHM Cc1cccc([O-])c1C(=O)Nc1ccc2ccn(C)c2c1 ZINC001447847551 937371894 /nfs/dbraw/zinc/37/18/94/937371894.db2.gz ZZDJJEFXYXZOCZ-UHFFFAOYSA-N -1 3 280.327 3.445 20 0 CGADHM CC1(C)CCC(C)(CNC(=O)c2ccc(O)cc2[O-])CC1 ZINC001451515979 937391454 /nfs/dbraw/zinc/39/14/54/937391454.db2.gz BKLBTFRHEGUJSI-UHFFFAOYSA-N -1 3 291.391 3.434 20 0 CGADHM CC(C)=C[C@@H]1[C@H](C(=O)[N-]OCc2cccc(C)n2)C1(C)C ZINC001454239243 937407773 /nfs/dbraw/zinc/40/77/73/937407773.db2.gz HOSBXVXOPWAKPL-HUUCEWRRSA-N -1 3 288.391 3.176 20 0 CGADHM O=C(/C=C\c1ccccc1F)[N-]Oc1ccccc1F ZINC001455482415 937418877 /nfs/dbraw/zinc/41/88/77/937418877.db2.gz QVHZBCLSJVTPIH-KTKRTIGZSA-N -1 3 275.254 3.088 20 0 CGADHM O=c1[n-]c(C2CC2)nc2c1CN(Cc1ccc(CF)cc1)C2 ZINC001460719082 937541639 /nfs/dbraw/zinc/54/16/39/937541639.db2.gz DPTIUQPWQMSREE-UHFFFAOYSA-N -1 3 299.349 3.045 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N(C)Cc2c(C)cccc2C)n1 ZINC001460850203 937549128 /nfs/dbraw/zinc/54/91/28/937549128.db2.gz OKASKDSVZQWHSA-AWEZNQCLSA-N -1 3 285.391 3.300 20 0 CGADHM CCc1cc(Nc2ccc(C(=O)[O-])cc2F)ccn1 ZINC000307794334 932022357 /nfs/dbraw/zinc/02/23/57/932022357.db2.gz WNZFINQAHWIZHJ-UHFFFAOYSA-N -1 3 260.268 3.225 20 0 CGADHM Cc1ccc(C)c(OCCCCC(=O)[N-]OC(C)C)c1 ZINC001330660124 932044349 /nfs/dbraw/zinc/04/43/49/932044349.db2.gz VDHLKMXCHNQHBW-UHFFFAOYSA-N -1 3 279.380 3.309 20 0 CGADHM [O-]c1cccc(OC[C@@H]2CCC=CO2)c1Br ZINC001229139465 932102649 /nfs/dbraw/zinc/10/26/49/932102649.db2.gz HFBOHWOHAWNXBX-VIFPVBQESA-N -1 3 285.137 3.226 20 0 CGADHM COc1cccc2nc(=O)[n-]c(O[C@H](C)c3ccco3)c21 ZINC001229242480 932121198 /nfs/dbraw/zinc/12/11/98/932121198.db2.gz OFLJIVHWHFOLKW-SECBINFHSA-N -1 3 286.287 3.077 20 0 CGADHM CCCOC[C@@H](C)Oc1nc(=S)[n-]c2scc(C)c21 ZINC001229351383 932137037 /nfs/dbraw/zinc/13/70/37/932137037.db2.gz ALMFTOCBZUJRRK-SECBINFHSA-N -1 3 298.433 3.482 20 0 CGADHM O=c1nc(O[C@@H]2C[C@@H]3CC[C@H]2C3)c(-c2ccccc2)c[n-]1 ZINC001230974432 932651918 /nfs/dbraw/zinc/65/19/18/932651918.db2.gz MMVQDYQLCSMXTO-OSAQELSMSA-N -1 3 282.343 3.417 20 0 CGADHM CCC1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001231076785 932672828 /nfs/dbraw/zinc/67/28/28/932672828.db2.gz MICVIUJSGYXTDM-UHFFFAOYSA-N -1 3 272.352 3.214 20 0 CGADHM O=c1nc2cccc(F)c2c(OC2CCCCC2)[n-]1 ZINC001231074654 932673319 /nfs/dbraw/zinc/67/33/19/932673319.db2.gz QUYOMXOWXPPPGT-UHFFFAOYSA-N -1 3 262.284 3.186 20 0 CGADHM CCCCOc1ccc(C(=O)N[C@@H]2C[C@H]3C[C@H]3C2)c([O-])c1 ZINC001306858655 932889905 /nfs/dbraw/zinc/88/99/05/932889905.db2.gz LUYJAHUJFNWMBN-CLLJXQQHSA-N -1 3 289.375 3.099 20 0 CGADHM CC[C@H]1CCC[C@]1(C)C(=O)[N-]OCc1ccccc1OC ZINC001467568793 937719312 /nfs/dbraw/zinc/71/93/12/937719312.db2.gz GBEZWZXOBRSQON-YOEHRIQHSA-N -1 3 291.391 3.459 20 0 CGADHM Cc1nc(COC(=O)c2cc3occc3[n-]2)c(C)s1 ZINC001320926335 934123183 /nfs/dbraw/zinc/12/31/83/934123183.db2.gz PIKAPAILRVWZBP-UHFFFAOYSA-N -1 3 276.317 3.191 20 0 CGADHM Cc1ccc(C(=O)NCc2ccc3occc3c2)c([O-])c1 ZINC001469928605 937745594 /nfs/dbraw/zinc/74/55/94/937745594.db2.gz CUKYZPQONZUFQE-UHFFFAOYSA-N -1 3 281.311 3.377 20 0 CGADHM C[C@H](Cn1ccc2ccccc21)C(=O)[N-]OC(C)(C)C ZINC001323725797 934422002 /nfs/dbraw/zinc/42/20/02/934422002.db2.gz PEVYKIOHBAFQGL-GFCCVEGCSA-N -1 3 274.364 3.124 20 0 CGADHM CC(C)c1nc(CNCCCCCCC(=O)[O-])cs1 ZINC001324574000 934526280 /nfs/dbraw/zinc/52/62/80/934526280.db2.gz GFPAQDUXWKQEJX-UHFFFAOYSA-N -1 3 284.425 3.391 20 0 CGADHM CCCCOc1ccc(C(=O)NC[C@@H](C)C2CC2)c([O-])c1 ZINC001472494721 937776894 /nfs/dbraw/zinc/77/68/94/937776894.db2.gz NUPUKGFELVQZOJ-GFCCVEGCSA-N -1 3 291.391 3.347 20 0 CGADHM O=C(NC/C=C\C1CC1)c1cc2sccc2c([O-])c1 ZINC001324604859 934531492 /nfs/dbraw/zinc/53/14/92/934531492.db2.gz HHOTZWXHMPQACT-UPHRSURJSA-N -1 3 273.357 3.303 20 0 CGADHM CCc1ccc(C(=O)N(C)[C@H]2CC[C@@H](SC)C2)c([O-])c1 ZINC001326159435 934954280 /nfs/dbraw/zinc/95/42/80/934954280.db2.gz AKNZDHWQHLCNGU-QWHCGFSZSA-N -1 3 293.432 3.311 20 0 CGADHM C[C@@]1(c2ccccc2)CCCN1C(=O)c1ccc(N)cc1[O-] ZINC001332070697 935437267 /nfs/dbraw/zinc/43/72/67/935437267.db2.gz ZYSPSFGHQYRYRZ-SFHVURJKSA-N -1 3 296.370 3.126 20 0 CGADHM O=C([O-])c1cc(CN[C@H](c2ccccc2)C2CCCC2)[nH]n1 ZINC001333137497 935513662 /nfs/dbraw/zinc/51/36/62/935513662.db2.gz UHEPZZNVODFBKC-MRXNPFEDSA-N -1 3 299.374 3.129 20 0 CGADHM Cc1ncsc1CN[C@H](C)c1cccc([O-])c1F ZINC001335839849 936163394 /nfs/dbraw/zinc/16/33/94/936163394.db2.gz ZETPXUBNCVGYNI-MRVPVSSYSA-N -1 3 266.341 3.147 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-]CC(C2CCC2)C2CCC2)o1 ZINC001475528863 937884364 /nfs/dbraw/zinc/88/43/64/937884364.db2.gz YPRUZHFRJMJZFX-UHFFFAOYSA-N -1 3 297.420 3.083 20 0 CGADHM CCc1ccc(C(=O)N(Cc2ccc(C)o2)OC)c([O-])c1 ZINC001520708335 938027026 /nfs/dbraw/zinc/02/70/26/938027026.db2.gz DSSAQQYEZZJBSX-UHFFFAOYSA-N -1 3 289.331 3.060 20 0 CGADHM O=C([N-]c1cnoc1)c1cc2c(cncc2Cl)s1 ZINC001529583973 938073687 /nfs/dbraw/zinc/07/36/87/938073687.db2.gz LASFZRNXILDIJK-UHFFFAOYSA-N -1 3 279.708 3.190 20 0 CGADHM COc1ccc(C)cc1NC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC001540386006 938130772 /nfs/dbraw/zinc/13/07/72/938130772.db2.gz YCQPNLUIUDSXRC-UHFFFAOYSA-N -1 3 299.326 3.164 20 0 CGADHM CCN(Cc1ccccc1C)C(=O)c1c([O-])cccc1OC ZINC001540715208 938133325 /nfs/dbraw/zinc/13/33/25/938133325.db2.gz JNRWGTWXMXWRFZ-UHFFFAOYSA-N -1 3 299.370 3.372 20 0 CGADHM COc1ccc([C@H](C)NC(=O)c2c(C)cccc2[O-])cc1 ZINC001540786934 938133807 /nfs/dbraw/zinc/13/38/07/938133807.db2.gz OSAJOMSJSJGATO-LBPRGKRZSA-N -1 3 285.343 3.200 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)N1CC[C@@H]1c1ccccc1 ZINC001541055124 938134712 /nfs/dbraw/zinc/13/47/12/938134712.db2.gz MYNBCPHKNUHCRH-OAHLLOKOSA-N -1 3 285.318 3.047 20 0 CGADHM Cc1cccc([O-])c1C(=O)N[C@H]1CCc2cc(F)ccc21 ZINC001542287305 938135721 /nfs/dbraw/zinc/13/57/21/938135721.db2.gz QIECKAWEPTUQGY-AWEZNQCLSA-N -1 3 285.318 3.257 20 0 CGADHM O=C([O-])[C@@H]1CN(Cc2cccc(Cl)c2F)C[C@@H]1C1CC1 ZINC001549117735 938155517 /nfs/dbraw/zinc/15/55/17/938155517.db2.gz VPKUWLPXARKGDA-VXGBXAGGSA-N -1 3 297.757 3.022 20 0 CGADHM Cc1cocc1C(=O)Nc1cc(Br)ccc1[O-] ZINC001556082228 938201707 /nfs/dbraw/zinc/20/17/07/938201707.db2.gz GAZSZSRTPHMCRF-UHFFFAOYSA-N -1 3 296.120 3.308 20 0 CGADHM Cc1ccc(C(=O)Nc2nc(C(C)C)co2)c([O-])c1C ZINC001556682646 938204979 /nfs/dbraw/zinc/20/49/79/938204979.db2.gz GLHIARSYGZOGBY-UHFFFAOYSA-N -1 3 274.320 3.373 20 0 CGADHM Nc1c(F)cc(F)cc1C(=O)Nc1c([O-])cccc1Cl ZINC001556784834 938205753 /nfs/dbraw/zinc/20/57/53/938205753.db2.gz GGEITTPMQPRKDB-UHFFFAOYSA-N -1 3 298.676 3.158 20 0 CGADHM CCc1ccc(C(=O)NCC[C@@H]2CC[C@@H]3C[C@@H]32)c([O-])c1 ZINC001558388956 938215197 /nfs/dbraw/zinc/21/51/97/938215197.db2.gz HVANAMPRYBWGMV-GZBFAFLISA-N -1 3 273.376 3.121 20 0 CGADHM Cc1cc(CN[C@@H](C(=O)[O-])c2ccc(F)cc2)c(C)s1 ZINC001594304857 957961313 /nfs/dbraw/zinc/96/13/13/957961313.db2.gz WSNFBWLHFPMYPA-CQSZACIVSA-N -1 3 293.363 3.420 20 0 CGADHM COC(=O)c1cc([N-]C(=O)c2sccc2F)c(C)s1 ZINC001460795916 960499245 /nfs/dbraw/zinc/49/92/45/960499245.db2.gz XIPYCIVFDHZDAI-UHFFFAOYSA-N -1 3 299.348 3.296 20 0 CGADHM CSc1ccc([O-])c(C(=O)N[C@@H]2C[C@@]2(C)C(C)C)c1 ZINC001570158849 961918662 /nfs/dbraw/zinc/91/86/62/961918662.db2.gz LKWQGXMIQIMRQF-HIFRSBDPSA-N -1 3 279.405 3.279 20 0 CGADHM CC(C)(C)c1ccc(-c2nnn[n-]2)c(OCC2=CCCC2)n1 ZINC001573882293 962281367 /nfs/dbraw/zinc/28/13/67/962281367.db2.gz YPXADQPLJWHKFK-UHFFFAOYSA-N -1 3 299.378 3.048 20 0 CGADHM CC(C)(C)c1ccc(-c2nn[n-]n2)c(OCC2=CCCC2)n1 ZINC001573882293 962281386 /nfs/dbraw/zinc/28/13/86/962281386.db2.gz YPXADQPLJWHKFK-UHFFFAOYSA-N -1 3 299.378 3.048 20 0 CGADHM CCC(CC)SCCc1ccc(-c2nnn[n-]2)cc1 ZINC001576761706 962490450 /nfs/dbraw/zinc/49/04/50/962490450.db2.gz IQKAMWPCOGBYCY-UHFFFAOYSA-N -1 3 276.409 3.331 20 0 CGADHM CCC(CC)SCCc1ccc(-c2nn[n-]n2)cc1 ZINC001576761706 962490463 /nfs/dbraw/zinc/49/04/63/962490463.db2.gz IQKAMWPCOGBYCY-UHFFFAOYSA-N -1 3 276.409 3.331 20 0 CGADHM CC/C=C\CCSc1nc(C)cc(C)c1-c1nnn[n-]1 ZINC001577180995 962514940 /nfs/dbraw/zinc/51/49/40/962514940.db2.gz BAOHLTXHZIBQRG-WAYWQWQTSA-N -1 3 289.408 3.327 20 0 CGADHM CC/C=C\CCSc1nc(C)cc(C)c1-c1nn[n-]n1 ZINC001577180995 962514948 /nfs/dbraw/zinc/51/49/48/962514948.db2.gz BAOHLTXHZIBQRG-WAYWQWQTSA-N -1 3 289.408 3.327 20 0 CGADHM Cc1cc(OCCC(C)(C)C2CC2)ccc1-c1nn[n-]n1 ZINC001581042534 962749072 /nfs/dbraw/zinc/74/90/72/962749072.db2.gz GMBWALMIAVZFPT-UHFFFAOYSA-N -1 3 286.379 3.380 20 0 CGADHM Cc1cc(NC(=O)CC2=CCCCC2)cc(-c2nnn[n-]2)c1 ZINC001580979740 962755656 /nfs/dbraw/zinc/75/56/56/962755656.db2.gz TUBSNMZMNILULP-UHFFFAOYSA-N -1 3 297.362 3.004 20 0 CGADHM Cc1cc(NC(=O)CC2=CCCCC2)cc(-c2nn[n-]n2)c1 ZINC001580979740 962755669 /nfs/dbraw/zinc/75/56/69/962755669.db2.gz TUBSNMZMNILULP-UHFFFAOYSA-N -1 3 297.362 3.004 20 0 CGADHM CCc1ccc(C(=O)NCCc2ccc(C)cc2)c([O-])c1 ZINC001586119408 963072359 /nfs/dbraw/zinc/07/23/59/963072359.db2.gz VXORNQVQAKZVJQ-UHFFFAOYSA-N -1 3 283.371 3.236 20 0 CGADHM CCc1cccc(C(=O)Nc2ccc(OC)cc2F)c1[O-] ZINC001587324397 963186273 /nfs/dbraw/zinc/18/62/73/963186273.db2.gz GQCAXWBWDIXMIC-UHFFFAOYSA-N -1 3 289.306 3.355 20 0 CGADHM C/C(=C\CN1CC[C@H](c2cccc(Cl)c2)C1)C(=O)[O-] ZINC001588960167 963336296 /nfs/dbraw/zinc/33/62/96/963336296.db2.gz YFJOTAXTYQEXDZ-KKNAONHISA-N -1 3 279.767 3.160 20 0 CGADHM C/C(=C/CN[C@H](C)c1cc(Cl)ccc1F)C(=O)[O-] ZINC001588982721 963337549 /nfs/dbraw/zinc/33/75/49/963337549.db2.gz YFHCXVMIVOWCJP-BZJXQOFCSA-N -1 3 271.719 3.161 20 0 CGADHM C[C@H](NCc1ccc(C(=O)[O-])cc1)c1cc2cnccc2o1 ZINC001589129293 963349419 /nfs/dbraw/zinc/34/94/19/963349419.db2.gz SKXPCYGBDLZZDP-NSHDSACASA-N -1 3 296.326 3.377 20 0 CGADHM C[C@H](NCCCC(C)(C)C)c1ncc(C(=O)[O-])s1 ZINC000314641917 963782715 /nfs/dbraw/zinc/78/27/15/963782715.db2.gz AFNYJMDYAFZHIF-VIFPVBQESA-N -1 3 270.398 3.318 20 0 CGADHM Cc1ccccc1CCN[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC000314664426 963786980 /nfs/dbraw/zinc/78/69/80/963786980.db2.gz ONGNFZSWVILMCS-NSHDSACASA-N -1 3 290.388 3.043 20 0 CGADHM CC(C)=CCCSc1nc(C)cc(C)c1-c1nnn[n-]1 ZINC001589376499 963984270 /nfs/dbraw/zinc/98/42/70/963984270.db2.gz JDSMTSHJRMTREI-UHFFFAOYSA-N -1 3 289.408 3.327 20 0 CGADHM CC(C)=CCCSc1nc(C)cc(C)c1-c1nn[n-]n1 ZINC001589376499 963984279 /nfs/dbraw/zinc/98/42/79/963984279.db2.gz JDSMTSHJRMTREI-UHFFFAOYSA-N -1 3 289.408 3.327 20 0 CGADHM C[C@@H]1CCC[C@H](C(=O)[O-])N1Cc1cccc(F)c1Cl ZINC001605004345 972605735 /nfs/dbraw/zinc/60/57/35/972605735.db2.gz PWLYHZTUBCOJNL-BXKDBHETSA-N -1 3 285.746 3.307 20 0 CGADHM CC(C)c1nc([C@H](C)N[C@H]2CC=C(C(=O)[O-])C2)cs1 ZINC001592014719 976694806 /nfs/dbraw/zinc/69/48/06/976694806.db2.gz FXVWHSHYKJGEHK-ONGXEEELSA-N -1 3 280.393 3.091 20 0 CGADHM C[C@H](COCC1CCCCC1)NCc1occc1C(=O)[O-] ZINC001592775223 979398640 /nfs/dbraw/zinc/39/86/40/979398640.db2.gz DEZXAAHBSYXDJW-GFCCVEGCSA-N -1 3 295.379 3.053 20 0 CGADHM C[C@H](COc1ccccc1)N[C@H](C)c1cc(C(=O)[O-])co1 ZINC001592783190 979421628 /nfs/dbraw/zinc/42/16/28/979421628.db2.gz QVMIIQDRYDBBSV-VXGBXAGGSA-N -1 3 289.331 3.096 20 0 CGADHM CC[C@H](NCc1cc(C(=O)[O-])cs1)c1ccncc1 ZINC001595299315 980425985 /nfs/dbraw/zinc/42/59/85/980425985.db2.gz OWRVPMPYBFGNTG-ZDUSSCGKSA-N -1 3 276.361 3.082 20 0 CGADHM CC(C)(C)O[C@H]1C[C@@H](NCc2ccc(C(=O)[O-])o2)C1(C)C ZINC001590409732 989948521 /nfs/dbraw/zinc/94/85/21/989948521.db2.gz YURAILDSROSRAA-OLZOCXBDSA-N -1 3 295.379 3.050 20 0 CGADHM CC(C)CCO[C@@H]1CCN([C@@H](C)c2ccc(C(=O)[O-])o2)C1 ZINC001591260384 992168650 /nfs/dbraw/zinc/16/86/50/992168650.db2.gz WPQLQOPDGQEONQ-QWHCGFSZSA-N -1 3 295.379 3.176 20 0 CGADHM C[C@H](NC[C@@H]1CCCC2(CCC2)O1)c1cc(C(=O)[O-])co1 ZINC001593252803 994508996 /nfs/dbraw/zinc/50/89/96/994508996.db2.gz VJGUFXXTBDLODC-AAEUAGOBSA-N -1 3 293.363 3.120 20 0 CGADHM O=C(c1ccccc1[O-])N1CC2(CCC2)[C@H]1c1ccncc1 ZINC000621164564 349465204 /nfs/dbraw/zinc/46/52/04/349465204.db2.gz CLSYFVHVIIZFNF-MRXNPFEDSA-N -1 3 294.354 3.155 20 0 CGADHM Cc1ccc([O-])c(C(=O)NCC(C)(C)CC(F)(F)F)c1 ZINC000621229865 349478225 /nfs/dbraw/zinc/47/82/25/349478225.db2.gz LBMRLTPZWIFGDU-UHFFFAOYSA-N -1 3 289.297 3.409 20 0 CGADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@H]1C[C@@H]1C ZINC000650946278 398184046 /nfs/dbraw/zinc/18/40/46/398184046.db2.gz LLYLJOIGOKZNNZ-XPUUQOCRSA-N -1 3 284.153 3.058 20 0 CGADHM CSc1ccccc1[C@@H](C)NC(=O)c1csc(=O)[n-]1 ZINC000337542896 214147467 /nfs/dbraw/zinc/14/74/67/214147467.db2.gz KHTWNNXUPAOHPI-MRVPVSSYSA-N -1 3 294.401 3.062 20 0 CGADHM O=C([O-])c1cccc2c1CCN(CCCc1ccccc1)C2 ZINC000082791380 178296684 /nfs/dbraw/zinc/29/66/84/178296684.db2.gz PQLZUNYGYIJQGB-UHFFFAOYSA-N -1 3 295.382 3.376 20 0 CGADHM C[C@@H]1CC[C@H](C)N1C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621910807 349606658 /nfs/dbraw/zinc/60/66/58/349606658.db2.gz KHUWZMASICMONI-DTORHVGOSA-N -1 3 287.281 3.424 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)C1[C@@H]2CCCCCC[C@@H]12 ZINC000622122613 349632203 /nfs/dbraw/zinc/63/22/03/349632203.db2.gz PTWVYEHLXQZVIK-CHWSQXEVSA-N -1 3 289.423 3.418 20 0 CGADHM O=C(N[C@@H]1C[C@H]1C1CCC1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622119672 349631259 /nfs/dbraw/zinc/63/12/59/349631259.db2.gz HCVVZJNDEKVGBU-QWHCGFSZSA-N -1 3 299.292 3.329 20 0 CGADHM CC[C@H](Cc1ccccc1)NC(=O)c1cccc(OC)c1[O-] ZINC000436527920 529430726 /nfs/dbraw/zinc/43/07/26/529430726.db2.gz FTDYQQSLQHQBHZ-CQSZACIVSA-N -1 3 299.370 3.152 20 0 CGADHM CC[C@H](Cc1ccccc1)NC(=O)c1ccccc1[O-] ZINC000436530608 529430854 /nfs/dbraw/zinc/43/08/54/529430854.db2.gz MTJVVSGIJLURIP-CQSZACIVSA-N -1 3 269.344 3.143 20 0 CGADHM Cc1cccc(C(=O)N2CC(Cc3ccsc3)C2)c1[O-] ZINC000622258127 349664335 /nfs/dbraw/zinc/66/43/35/349664335.db2.gz IPXQWQATEOTLFV-UHFFFAOYSA-N -1 3 287.384 3.077 20 0 CGADHM Cc1cc(C)cc(NC(=O)Cc2ccc([O-])c(F)c2)c1 ZINC000622275467 349666934 /nfs/dbraw/zinc/66/69/34/349666934.db2.gz FJHUYOFHOLFIHS-UHFFFAOYSA-N -1 3 273.307 3.329 20 0 CGADHM CC1(C)CCC[C@@H](CC(=O)Nc2ncccc2[O-])C1 ZINC000622504822 349684227 /nfs/dbraw/zinc/68/42/27/349684227.db2.gz BOBLCZRQULGOHQ-NSHDSACASA-N -1 3 262.353 3.332 20 0 CGADHM CCc1ccc([O-])c(C(=O)NC2(Cc3ccccc3)CC2)c1 ZINC000622520282 349684268 /nfs/dbraw/zinc/68/42/68/349684268.db2.gz MQRYCZTVKOKZPV-UHFFFAOYSA-N -1 3 295.382 3.460 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2cc(C)cc(C)n2)c1 ZINC000622455484 349680057 /nfs/dbraw/zinc/68/00/57/349680057.db2.gz SKJWCBKDDOYVGX-UHFFFAOYSA-N -1 3 270.332 3.219 20 0 CGADHM Cc1csc([C@@H](C)C(=O)Nc2ccc([O-])cc2F)n1 ZINC000622494843 349682895 /nfs/dbraw/zinc/68/28/95/349682895.db2.gz INZKJNLOQWSAPM-QMMMGPOBSA-N -1 3 280.324 3.038 20 0 CGADHM CCc1cc(C(=O)N2CCC[C@@H]2c2cccn2C)ccc1[O-] ZINC000368287902 529512659 /nfs/dbraw/zinc/51/26/59/529512659.db2.gz IWYSUFOAJKMAJL-MRXNPFEDSA-N -1 3 298.386 3.270 20 0 CGADHM CCc1ccc(C(=O)N2CCC(CC)CC2)c([O-])c1 ZINC000436807642 529595263 /nfs/dbraw/zinc/59/52/63/529595263.db2.gz JMFWGWSJFCDMSV-UHFFFAOYSA-N -1 3 261.365 3.217 20 0 CGADHM CCc1ccc(C(=O)N2C[C@@H](C)CC2(C)C)c([O-])c1 ZINC000436835726 529600348 /nfs/dbraw/zinc/60/03/48/529600348.db2.gz WRTZXBPHQUQEBM-NSHDSACASA-N -1 3 261.365 3.215 20 0 CGADHM CCc1ccc(C(=O)NC2CCC(F)(F)CC2)c([O-])c1 ZINC000436830306 529602222 /nfs/dbraw/zinc/60/22/22/529602222.db2.gz NWQZYEPEVMCKLI-UHFFFAOYSA-N -1 3 283.318 3.262 20 0 CGADHM C[C@@H](C(=O)Nc1cc(Br)ccc1[O-])C1CC1 ZINC000126684197 187256137 /nfs/dbraw/zinc/25/61/37/187256137.db2.gz LLKYCQBRXDEXET-SSDOTTSWSA-N -1 3 284.153 3.139 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CCC[C@H](C)CC2)c1 ZINC000623487352 349818335 /nfs/dbraw/zinc/81/83/35/349818335.db2.gz OLCYGKZUPLGGHQ-LBPRGKRZSA-N -1 3 261.365 3.217 20 0 CGADHM Cc1cccc([O-])c1C(=O)N(C)[C@H]1CCCC[C@@H]1C ZINC000623818846 349889428 /nfs/dbraw/zinc/88/94/28/349889428.db2.gz FGRVXZWOLZCXGQ-AAEUAGOBSA-N -1 3 261.365 3.351 20 0 CGADHM COc1cccc(C(=O)N[C@@H]2CCc3ccc(C)cc32)c1[O-] ZINC000592665547 347004986 /nfs/dbraw/zinc/00/49/86/347004986.db2.gz VYKTWTPLDRWUGL-OAHLLOKOSA-N -1 3 297.354 3.127 20 0 CGADHM Cc1cccc([O-])c1C(=O)N(C)[C@@H]1CCC[C@H](C)C1 ZINC000623922688 349916583 /nfs/dbraw/zinc/91/65/83/349916583.db2.gz GTSXLIJNMBNTHT-WCQYABFASA-N -1 3 261.365 3.351 20 0 CGADHM CC(C)c1cc([N-]C(=O)COc2ccccc2Cl)on1 ZINC000021325768 344892838 /nfs/dbraw/zinc/89/28/38/344892838.db2.gz XRRLABZJGXQVSJ-UHFFFAOYSA-N -1 3 294.738 3.469 20 0 CGADHM Cc1ccoc1C(=O)[N-]c1nnc(-c2ccccc2)s1 ZINC000025321364 344901743 /nfs/dbraw/zinc/90/17/43/344901743.db2.gz XKSUSWCWKSDSOC-UHFFFAOYSA-N -1 3 285.328 3.359 20 0 CGADHM CCN(C(=O)c1cc(=O)c2ccccc2[n-]1)C1CCCCC1 ZINC000041867784 344974242 /nfs/dbraw/zinc/97/42/42/344974242.db2.gz BNZYOPRULPPEDV-UHFFFAOYSA-N -1 3 298.386 3.323 20 0 CGADHM CC(C)N(Cc1ccc(C(=O)[O-])o1)Cc1cccs1 ZINC000049029885 345070437 /nfs/dbraw/zinc/07/04/37/345070437.db2.gz UBQFWSWRICSTEX-UHFFFAOYSA-N -1 3 279.361 3.450 20 0 CGADHM CCCCC(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1 ZINC000049302967 345073321 /nfs/dbraw/zinc/07/33/21/345073321.db2.gz WGRJCDCYTZFRKU-UHFFFAOYSA-N -1 3 299.374 3.128 20 0 CGADHM COc1cccc(CN(C)C(=O)c2ccc(C)c(C)c2[O-])c1 ZINC000048383987 345065286 /nfs/dbraw/zinc/06/52/86/345065286.db2.gz ILHUCHGTVVPWOH-UHFFFAOYSA-N -1 3 299.370 3.290 20 0 CGADHM CC1(C)CN(Cc2cccc([O-])c2Cl)CCS1 ZINC000351624600 219152661 /nfs/dbraw/zinc/15/26/61/219152661.db2.gz OVGIERNRUJWGBD-UHFFFAOYSA-N -1 3 271.813 3.373 20 0 CGADHM CCO[C@H]1CCCN(C(=O)c2ccc(C(C)C)cc2[O-])C1 ZINC000067859910 345335224 /nfs/dbraw/zinc/33/52/24/345335224.db2.gz CKVOEGOLQZXUFY-AWEZNQCLSA-N -1 3 291.391 3.157 20 0 CGADHM Cc1nc([N-]C(=O)c2cc(C(C)C)no2)sc1C ZINC000072646629 345414985 /nfs/dbraw/zinc/41/49/85/345414985.db2.gz LBHGWTUUJXJGMF-UHFFFAOYSA-N -1 3 265.338 3.124 20 0 CGADHM Cc1ccsc1CN(C)C(=O)c1cccc(C)c1[O-] ZINC000078349164 345602552 /nfs/dbraw/zinc/60/25/52/345602552.db2.gz ZAAQFRHERNIQAZ-UHFFFAOYSA-N -1 3 275.373 3.343 20 0 CGADHM COc1ccc(CN2CCC[C@@H](CC(=O)[O-])C2)cc1Cl ZINC000086757654 345750549 /nfs/dbraw/zinc/75/05/49/345750549.db2.gz GIEDTSOOXDIEMR-NSHDSACASA-N -1 3 297.782 3.035 20 0 CGADHM CCc1cccc(C(=O)N2CCC[C@H](CC)C2)c1[O-] ZINC000081939384 345720316 /nfs/dbraw/zinc/72/03/16/345720316.db2.gz MMVBPUJJYQVXQC-LBPRGKRZSA-N -1 3 261.365 3.217 20 0 CGADHM Cc1cc2c([n-]c(-c3ccc4c(n3)CCCC4)nc2=O)s1 ZINC000092196703 345831724 /nfs/dbraw/zinc/83/17/24/345831724.db2.gz UHNSMEIELWWIJB-UHFFFAOYSA-N -1 3 297.383 3.234 20 0 CGADHM Cc1ccc([O-])c(CN2CCOC3(C2)CCCCCC3)n1 ZINC000093769187 345886559 /nfs/dbraw/zinc/88/65/59/345886559.db2.gz RHUSTKHUBYUCFI-UHFFFAOYSA-N -1 3 290.407 3.021 20 0 CGADHM CC(C)c1noc(Cc2ccc([O-])cc2Cl)n1 ZINC000132045724 346069156 /nfs/dbraw/zinc/06/91/56/346069156.db2.gz JGYIRJMAVIKZGE-UHFFFAOYSA-N -1 3 252.701 3.143 20 0 CGADHM C[C@H]1CCC[C@@H](CC(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000133107454 346075550 /nfs/dbraw/zinc/07/55/50/346075550.db2.gz JLGBPKBNJCOSFX-NWDGAFQWSA-N -1 3 279.355 3.364 20 0 CGADHM Cc1ccc(-c2cc(C(=O)Nc3ccccc3[O-])n[nH]2)cc1 ZINC000140669279 346105549 /nfs/dbraw/zinc/10/55/49/346105549.db2.gz FLBLSJRNKHNBKI-UHFFFAOYSA-N -1 3 293.326 3.343 20 0 CGADHM CS[C@@H]1CCCC[C@H]1NC(=O)c1cc([O-])ccc1Cl ZINC000235171168 346334254 /nfs/dbraw/zinc/33/42/54/346334254.db2.gz QPKLNKABPRGBQR-CHWSQXEVSA-N -1 3 299.823 3.450 20 0 CGADHM C[C@@H](c1ccco1)N(C)CCc1ccccc1C(=O)[O-] ZINC000228516941 346315071 /nfs/dbraw/zinc/31/50/71/346315071.db2.gz RCZILXIVIIHUQC-LBPRGKRZSA-N -1 3 273.332 3.213 20 0 CGADHM CC(C)CN(C)Cc1cccc(C(=O)[O-])c1Cl ZINC000381710532 346559400 /nfs/dbraw/zinc/55/94/00/346559400.db2.gz QHMVBFYVLXUPRM-UHFFFAOYSA-N -1 3 255.745 3.126 20 0 CGADHM O=C(Nc1ccc([O-])cc1Cl)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403695947 346597664 /nfs/dbraw/zinc/59/76/64/346597664.db2.gz SLBOJDDCZMOQND-AEJSXWLSSA-N -1 3 265.740 3.420 20 0 CGADHM Cc1ccc2snc(C(=O)Nc3nc(C)ccc3[O-])c2c1 ZINC000351774660 219201325 /nfs/dbraw/zinc/20/13/25/219201325.db2.gz NJTDSHATARIFHG-UHFFFAOYSA-N -1 3 299.355 3.266 20 0 CGADHM CO[C@H](CSCc1cc(=O)[n-]c(C2CC2)n1)C1CCC1 ZINC000596364975 347434893 /nfs/dbraw/zinc/43/48/93/347434893.db2.gz CSIRWWQYTOKCEB-CYBMUJFWSA-N -1 3 294.420 3.108 20 0 CGADHM CCC[C@H](C)CC(=O)Nc1n[n-]c(-c2ccccc2F)n1 ZINC000598914939 347699370 /nfs/dbraw/zinc/69/93/70/347699370.db2.gz SZGWEMUCKKEMPB-JTQLQIEISA-N -1 3 290.342 3.376 20 0 CGADHM COc1ccnc(NCc2cccc([O-])c2Cl)c1 ZINC000339330167 215099745 /nfs/dbraw/zinc/09/97/45/215099745.db2.gz OOQOOCBJHCBCDS-UHFFFAOYSA-N -1 3 264.712 3.061 20 0 CGADHM C[C@H](C(=O)Nc1n[n-]c(-c2ccccc2F)n1)C(C)(C)C ZINC000604601548 348126020 /nfs/dbraw/zinc/12/60/20/348126020.db2.gz RLSQLLLAKMFTOD-SECBINFHSA-N -1 3 290.342 3.232 20 0 CGADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1C2CCCC1CCC2 ZINC000607933729 348272858 /nfs/dbraw/zinc/27/28/58/348272858.db2.gz CZNHAEJYIRXBCV-UHFFFAOYSA-N -1 3 296.370 3.075 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)[C@H](C)c2ccco2)c1-c1ccccc1 ZINC000608359358 348300772 /nfs/dbraw/zinc/30/07/72/348300772.db2.gz JBFBRXJOZXINOI-LLVKDONJSA-N -1 3 295.342 3.142 20 0 CGADHM Cc1nc(-c2nc(=O)c3c4c(sc3[n-]2)CCC4)cs1 ZINC000624169838 349992617 /nfs/dbraw/zinc/99/26/17/349992617.db2.gz BWPVHBAFIGVVNH-UHFFFAOYSA-N -1 3 289.385 3.318 20 0 CGADHM CC(C)(C)c1ccc([O-])c(NC(=O)c2cnc3n2CCC3)c1 ZINC000612755210 348543799 /nfs/dbraw/zinc/54/37/99/348543799.db2.gz BISKXFJXQGKWRV-UHFFFAOYSA-N -1 3 299.374 3.085 20 0 CGADHM CO[C@H](C(=O)Nc1cc(Cl)ccc1[O-])C1CCCC1 ZINC000612754476 348544179 /nfs/dbraw/zinc/54/41/79/348544179.db2.gz MXUBZVLLSVVCLT-ZDUSSCGKSA-N -1 3 283.755 3.189 20 0 CGADHM [O-]c1cc(F)cc(CN2CCc3c2cccc3F)c1 ZINC000351984740 219275123 /nfs/dbraw/zinc/27/51/23/219275123.db2.gz ZGSZVYJXGMPIPG-UHFFFAOYSA-N -1 3 261.271 3.233 20 0 CGADHM CC(C)Cc1c[nH]c(C(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)c1 ZINC000615136758 348716774 /nfs/dbraw/zinc/71/67/74/348716774.db2.gz YUOLELKZVKGWJS-UHFFFAOYSA-N -1 3 298.346 3.047 20 0 CGADHM CSc1ccc([O-])c(C(=O)N(C)Cc2occc2C)c1 ZINC000615195509 348721751 /nfs/dbraw/zinc/72/17/51/348721751.db2.gz KNKUXEORHRCHIL-UHFFFAOYSA-N -1 3 291.372 3.288 20 0 CGADHM O=C([N-]c1cc(F)cc(F)c1F)c1onc2c1CCCC2 ZINC000615230101 348724868 /nfs/dbraw/zinc/72/48/68/348724868.db2.gz FIRLUKUAHKYJBL-UHFFFAOYSA-N -1 3 296.248 3.223 20 0 CGADHM CCc1cccc(C(=O)N2[C@H](C)CCC2(C)C)c1[O-] ZINC000616164663 348792425 /nfs/dbraw/zinc/79/24/25/348792425.db2.gz FNUNIROWBKOMHN-LLVKDONJSA-N -1 3 261.365 3.358 20 0 CGADHM CCc1cc(C(=O)NC(C)(C)C(F)(F)F)ccc1[O-] ZINC000616202620 348797620 /nfs/dbraw/zinc/79/76/20/348797620.db2.gz ALRNURTWAPXYDP-UHFFFAOYSA-N -1 3 275.270 3.025 20 0 CGADHM CSc1ccc([O-])c(C(=O)N2CC(C)(C)C[C@@H]2C)c1 ZINC000616293269 348807521 /nfs/dbraw/zinc/80/75/21/348807521.db2.gz GOMKFGCXOKQPHC-JTQLQIEISA-N -1 3 279.405 3.375 20 0 CGADHM CN(Cc1cccs1)Cc1cc([O-])cc(F)c1 ZINC000351996958 219281439 /nfs/dbraw/zinc/28/14/39/219281439.db2.gz ROFOUPXXZLCCGH-UHFFFAOYSA-N -1 3 251.326 3.225 20 0 CGADHM CN(Cc1cc([O-])cc(F)c1)Cc1ccc(F)cc1F ZINC000351995416 219281472 /nfs/dbraw/zinc/28/14/72/219281472.db2.gz KBFSBZSOMDOQEP-UHFFFAOYSA-N -1 3 281.277 3.442 20 0 CGADHM CC[C@H](C)[C@H](OC)C(=O)Nc1ccc([O-])cc1Cl ZINC000616939450 348884998 /nfs/dbraw/zinc/88/49/98/348884998.db2.gz CYEWPYDBYBJLOM-UFBFGSQYSA-N -1 3 271.744 3.045 20 0 CGADHM CC(C)(C)c1cc(C(=O)Nc2ccc([O-])cc2Cl)n[nH]1 ZINC000616942283 348885987 /nfs/dbraw/zinc/88/59/87/348885987.db2.gz XNXUZGXDISOENB-UHFFFAOYSA-N -1 3 293.754 3.319 20 0 CGADHM [O-]c1cc(F)cc(CN2CCOC3(CCCCC3)C2)c1 ZINC000352003790 219284782 /nfs/dbraw/zinc/28/47/82/219284782.db2.gz SMILKFBFYXBLFK-UHFFFAOYSA-N -1 3 279.355 3.066 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)C(C)C)o1 ZINC000358466447 233137495 /nfs/dbraw/zinc/13/74/95/233137495.db2.gz XDERMMANWSVTQQ-OAHLLOKOSA-N -1 3 293.388 3.264 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CCC(c3ccco3)CC2)c1 ZINC000617379850 348954243 /nfs/dbraw/zinc/95/42/43/348954243.db2.gz RBVNVOLTJAXNRA-UHFFFAOYSA-N -1 3 285.343 3.313 20 0 CGADHM CC[C@@H]1CC[C@@H](C)N(C(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC000619131186 349209753 /nfs/dbraw/zinc/20/97/53/349209753.db2.gz JFISICRJTICHDG-CHWSQXEVSA-N -1 3 298.386 3.179 20 0 CGADHM C[C@H]1N(C(=O)Cc2cncc([O-])c2)c2ccccc2C1(C)C ZINC000619019748 349196324 /nfs/dbraw/zinc/19/63/24/349196324.db2.gz PWDSTILVRNHFCL-GFCCVEGCSA-N -1 3 296.370 3.043 20 0 CGADHM O=C(NC1(c2ccc(F)cc2)CCC1)c1ccccc1[O-] ZINC000620092140 349325807 /nfs/dbraw/zinc/32/58/07/349325807.db2.gz WUONINIAQQRPGB-UHFFFAOYSA-N -1 3 285.318 3.341 20 0 CGADHM CC[C@@H]1CCC[C@H](C)N1C(=O)Cc1ccc([O-])c(F)c1 ZINC000620580221 349390277 /nfs/dbraw/zinc/39/02/77/349390277.db2.gz YZMBYKMPVSSWQY-WCQYABFASA-N -1 3 279.355 3.253 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)[C@@H](C)C2CC2)c1[O-] ZINC000175838881 335207998 /nfs/dbraw/zinc/20/79/98/335207998.db2.gz ZRSOEGDDCACTIY-QMMMGPOBSA-N -1 3 253.729 3.339 20 0 CGADHM CCCCCN(CCO)Cc1cc([O-])ccc1Cl ZINC000625172198 350136716 /nfs/dbraw/zinc/13/67/16/350136716.db2.gz NRECFIUHEJQGTK-UHFFFAOYSA-N -1 3 271.788 3.030 20 0 CGADHM [O-]c1ccc(Cl)c(CN2CCC(c3ccon3)CC2)c1 ZINC000625559190 350183913 /nfs/dbraw/zinc/18/39/13/350183913.db2.gz ZQPLWQTZJYADLX-UHFFFAOYSA-N -1 3 292.766 3.413 20 0 CGADHM Cc1ccc(C(=O)N(C)C2Cc3ccccc3C2)c([O-])c1C ZINC000271331781 191078427 /nfs/dbraw/zinc/07/84/27/191078427.db2.gz ZUBBWTBOJQYGSQ-UHFFFAOYSA-N -1 3 295.382 3.248 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CCC(OC(C)(C)C)CC1 ZINC000626091114 350259176 /nfs/dbraw/zinc/25/91/76/350259176.db2.gz HNUWINXFWCZHAD-UHFFFAOYSA-N -1 3 291.391 3.120 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CCS[C@@H]2CCCC[C@H]21 ZINC000626031381 350251783 /nfs/dbraw/zinc/25/17/83/350251783.db2.gz BITSXULZRNQSRW-TZMCWYRMSA-N -1 3 291.416 3.201 20 0 CGADHM C/C=C\C[C@@H]1CCCN([C@H](C)c2nc(C)cc(=O)[n-]2)C1 ZINC000626163028 350273907 /nfs/dbraw/zinc/27/39/07/350273907.db2.gz CVKRJNSACSCAAU-UUSXEQNQSA-N -1 3 275.396 3.230 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1C[C@@H](C)CC(C)(C)C1 ZINC000626430231 350305382 /nfs/dbraw/zinc/30/53/82/350305382.db2.gz WQYCXFRQIGINCC-NSHDSACASA-N -1 3 261.365 3.209 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CC[C@@H](C)C(C)(C)C1 ZINC000626455342 350308370 /nfs/dbraw/zinc/30/83/70/350308370.db2.gz AZKNWVWBPCTXTF-GFCCVEGCSA-N -1 3 261.365 3.209 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-]Cc2ccc(Cl)c(C)c2)o1 ZINC000352127348 219329901 /nfs/dbraw/zinc/32/99/01/219329901.db2.gz MOIRRWAVSNTNOO-UHFFFAOYSA-N -1 3 299.779 3.028 20 0 CGADHM CC[C@@H](NC(=O)c1cc([O-])cc(Br)c1)C1CC1 ZINC000628101923 350399269 /nfs/dbraw/zinc/39/92/69/350399269.db2.gz LJCPDTWPWFZZQL-GFCCVEGCSA-N -1 3 298.180 3.073 20 0 CGADHM Cc1cccc([O-])c1NC(=O)c1cc(C(C)C)no1 ZINC000271380267 191107576 /nfs/dbraw/zinc/10/75/76/191107576.db2.gz STALMLKNYIYQKA-UHFFFAOYSA-N -1 3 260.293 3.064 20 0 CGADHM Cc1ccc(C(=O)N2C[C@@H](C)C(F)(F)[C@@H](C)C2)c([O-])c1C ZINC000628396375 350525652 /nfs/dbraw/zinc/52/56/52/350525652.db2.gz HNAZIFXSEBWYJC-PHIMTYICSA-N -1 3 297.345 3.372 20 0 CGADHM O=C([O-])c1ccc(F)c2c1CN(CCC1CCC1)CC2 ZINC000629367459 350680021 /nfs/dbraw/zinc/68/00/21/350680021.db2.gz YXYXDJNHNKZRNJ-UHFFFAOYSA-N -1 3 277.339 3.072 20 0 CGADHM CCC[C@H](C)CCCN1CCc2occc2[C@H]1C(=O)[O-] ZINC000629366514 350680045 /nfs/dbraw/zinc/68/00/45/350680045.db2.gz PXDYDHROOMEAHS-WFASDCNBSA-N -1 3 279.380 3.480 20 0 CGADHM C/C=C/C[C@H]1CCCN(Cc2cc(C(=O)[O-])oc2C)C1 ZINC000629376092 350683622 /nfs/dbraw/zinc/68/36/22/350683622.db2.gz RIPPBRZEVOHEJD-OOPCZODUSA-N -1 3 277.364 3.464 20 0 CGADHM Cc1cccc(C(=O)N2CC[C@H](c3ccc(O)cc3)C2)c1[O-] ZINC000629666782 350733298 /nfs/dbraw/zinc/73/32/98/350733298.db2.gz MPDCHQVNSLXGLP-AWEZNQCLSA-N -1 3 297.354 3.036 20 0 CGADHM C/C=C/C[C@H]1CCCN(C(=O)Cc2ccc([O-])c(F)c2)C1 ZINC000629869880 350777487 /nfs/dbraw/zinc/77/74/87/350777487.db2.gz KGKFTNZDPVWGSF-IBUXWKBASA-N -1 3 291.366 3.279 20 0 CGADHM CC(C)c1cnc(S(=O)(=O)[C@H](C)c2ccc(F)cc2)[n-]1 ZINC000630433007 350839212 /nfs/dbraw/zinc/83/92/12/350839212.db2.gz ZHCSPVBMWLJYIW-SNVBAGLBSA-N -1 3 296.367 3.207 20 0 CGADHM CC(C)c1c[n-]c(S(=O)(=O)[C@H](C)c2ccc(F)cc2)n1 ZINC000630433007 350839213 /nfs/dbraw/zinc/83/92/13/350839213.db2.gz ZHCSPVBMWLJYIW-SNVBAGLBSA-N -1 3 296.367 3.207 20 0 CGADHM O=C(Nc1ccc(Cl)cc1[O-])C1(C(F)F)CCC1 ZINC000632138653 351171579 /nfs/dbraw/zinc/17/15/79/351171579.db2.gz DPCSQPVWRRESEE-UHFFFAOYSA-N -1 3 275.682 3.420 20 0 CGADHM [O-]c1ccccc1-c1nc(-c2coc(C3CCC3)n2)no1 ZINC000632238612 351182897 /nfs/dbraw/zinc/18/28/97/351182897.db2.gz NIRSZSLOXOPROO-UHFFFAOYSA-N -1 3 283.287 3.365 20 0 CGADHM O=C(N[C@H]1CCCC12CC2)c1cc([O-])ccc1Cl ZINC000633781928 351370626 /nfs/dbraw/zinc/37/06/26/351370626.db2.gz UVFHTEWWTWHVKT-LBPRGKRZSA-N -1 3 265.740 3.108 20 0 CGADHM CC[C@@](C)(NC(=O)c1csc(=O)[n-]1)c1ccc(F)cc1 ZINC000633795226 351377534 /nfs/dbraw/zinc/37/75/34/351377534.db2.gz RDCHCCNIVDBWCK-CQSZACIVSA-N -1 3 294.351 3.043 20 0 CGADHM COCc1ccc(COc2cc3occ([O-])c3c(C)c2)cc1 ZINC000634561014 351514710 /nfs/dbraw/zinc/51/47/10/351514710.db2.gz HSUIRODWRXYYBV-UHFFFAOYSA-N -1 3 298.338 3.296 20 0 CGADHM CCc1c(=O)n([C@@H]2CCSC2)[n-]c1-c1cccc(C)c1 ZINC000634627595 351550791 /nfs/dbraw/zinc/55/07/91/351550791.db2.gz GKRATKFBKZZVTC-ZIAGYGMSSA-N -1 3 288.416 3.073 20 0 CGADHM C[C@@H]1CCc2[n-]n([C@H]3CCc4c3cccc4F)c(=O)c21 ZINC000634632287 351554278 /nfs/dbraw/zinc/55/42/78/351554278.db2.gz NUZXWRRMFIELHQ-NKZPBKNFSA-N -1 3 272.323 3.057 20 0 CGADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCC[C@@H](C2CC2)C1 ZINC000292056340 198147389 /nfs/dbraw/zinc/14/73/89/198147389.db2.gz JROJSNNXJQOAMC-CYBMUJFWSA-N -1 3 296.370 3.203 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)/C=C/SCc1ccco1 ZINC000292093552 198159859 /nfs/dbraw/zinc/15/98/59/198159859.db2.gz FSZALNHNOGIFRM-IOCXFXADSA-N -1 3 269.366 3.120 20 0 CGADHM Cc1ccc(C(=O)N2CC[C@H](c3ccc(F)cc3)C2)c([O-])c1 ZINC000365984492 234143460 /nfs/dbraw/zinc/14/34/60/234143460.db2.gz JLVPRTXVXQEYMF-AWEZNQCLSA-N -1 3 299.345 3.469 20 0 CGADHM O=C(CCCOCCc1ccccc1)[N-]OC1CCCC1 ZINC000271640691 191254861 /nfs/dbraw/zinc/25/48/61/191254861.db2.gz CKNIWSUKCDGNTK-UHFFFAOYSA-N -1 3 291.391 3.016 20 0 CGADHM CCCCCC(C)(C)C(=O)[N-]OCc1cccnc1 ZINC000155812045 188228310 /nfs/dbraw/zinc/22/83/10/188228310.db2.gz AYPWWDMOBOGCDN-UHFFFAOYSA-N -1 3 264.369 3.236 20 0 CGADHM O=C([N-]OCC1CC1)Nc1ccc2oc(C3CC3)nc2c1 ZINC000292703959 198382191 /nfs/dbraw/zinc/38/21/91/198382191.db2.gz RAJXBYVLSIUXIB-UHFFFAOYSA-N -1 3 287.319 3.168 20 0 CGADHM Cc1c2ccccc2[nH]c(=O)c1C(=O)Nc1ccccc1[O-] ZINC000340114850 215459217 /nfs/dbraw/zinc/45/92/17/215459217.db2.gz SLTUTGGYQCFPFA-UHFFFAOYSA-N -1 3 294.310 3.207 20 0 CGADHM COc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1ccc(C)cc1[O-] ZINC000411196805 235036415 /nfs/dbraw/zinc/03/64/15/235036415.db2.gz BWFAFMKFUWFYGH-UONOGXRCSA-N -1 3 297.354 3.451 20 0 CGADHM Cn1ccc2ccc(NC([O-])=NOC3CCCC3)cc21 ZINC000271844429 191362087 /nfs/dbraw/zinc/36/20/87/191362087.db2.gz QENRNGXKTXOFTD-UHFFFAOYSA-N -1 3 273.336 3.174 20 0 CGADHM Cn1ccc2ccc(NC(=O)[N-]OC3CCCC3)cc21 ZINC000271844429 191362089 /nfs/dbraw/zinc/36/20/89/191362089.db2.gz QENRNGXKTXOFTD-UHFFFAOYSA-N -1 3 273.336 3.174 20 0 CGADHM O=c1cc(CSc2cccc(F)c2)nc(C2CC2)[n-]1 ZINC000412999557 235238551 /nfs/dbraw/zinc/23/85/51/235238551.db2.gz MKEBVWKNLFQCIT-UHFFFAOYSA-N -1 3 276.336 3.491 20 0 CGADHM CC(C)O[N-]C(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000295773698 199658232 /nfs/dbraw/zinc/65/82/32/199658232.db2.gz XDIPEDPBSKORMI-JKSUJKDBSA-N -1 3 269.344 3.400 20 0 CGADHM Cc1cnccc1NC(=O)c1c[n-]nc1-c1ccccc1 ZINC000107357313 138357735 /nfs/dbraw/zinc/35/77/35/138357735.db2.gz VTHADPLHCZBHFH-UHFFFAOYSA-N -1 3 278.315 3.032 20 0 CGADHM COc1ccc(C(=O)N2CCC[C@@H]2c2ccccc2)c([O-])c1 ZINC000123719767 138369134 /nfs/dbraw/zinc/36/91/34/138369134.db2.gz NLIZRXQKIFRJJK-MRXNPFEDSA-N -1 3 297.354 3.378 20 0 CGADHM C[C@H]1CC[C@H](CC(=O)Nc2ccc([O-])cc2F)C1 ZINC000124265364 138373861 /nfs/dbraw/zinc/37/38/61/138373861.db2.gz VSXSNLCAIRCYRZ-UWVGGRQHSA-N -1 3 251.301 3.296 20 0 CGADHM CO[C@@H]1CCN(Cc2cccc([O-])c2Cl)[C@H](C)C1 ZINC000294694074 199138286 /nfs/dbraw/zinc/13/82/86/199138286.db2.gz NRTVKASXFPRPIK-ZYHUDNBSSA-N -1 3 269.772 3.045 20 0 CGADHM CC[C@H]1CCC[C@@H]1C(=O)Nc1cccc([O-])c1F ZINC000336186415 213005609 /nfs/dbraw/zinc/00/56/09/213005609.db2.gz UHGKWFBBYWOWPZ-UWVGGRQHSA-N -1 3 251.301 3.296 20 0 CGADHM [O-]c1cccc(CN2CCC3(CCOCC3)CC2)c1Cl ZINC000294836222 199205194 /nfs/dbraw/zinc/20/51/94/199205194.db2.gz YUTDNBBDACEPCF-UHFFFAOYSA-N -1 3 295.810 3.438 20 0 CGADHM CC[C@H]1CCC[C@@H]1C(=O)Nc1ccc([O-])cc1F ZINC000336203547 213023769 /nfs/dbraw/zinc/02/37/69/213023769.db2.gz BRUZQWZCDWTYBM-ONGXEEELSA-N -1 3 251.301 3.296 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)Nc1cc(OC)c(C)c(OC)c1 ZINC000296838139 200012009 /nfs/dbraw/zinc/01/20/09/200012009.db2.gz FTCZAJBCWTXKAB-SNVBAGLBSA-N -1 3 296.367 3.111 20 0 CGADHM O=C(N[C@H](c1cccs1)C1CC1)c1ccc(O)cc1[O-] ZINC000436586841 237135919 /nfs/dbraw/zinc/13/59/19/237135919.db2.gz WNDRYJQLTFVWFQ-AWEZNQCLSA-N -1 3 289.356 3.040 20 0 CGADHM Cc1cc(C(=O)N[C@@H]2C[C@H](OC(C)C)C2(C)C)ccc1[O-] ZINC000436809714 237186545 /nfs/dbraw/zinc/18/65/45/237186545.db2.gz POHDWGCXKRITPG-CABCVRRESA-N -1 3 291.391 3.023 20 0 CGADHM Cc1ccncc1/C=C\c1nc(-c2ccc([O-])cc2)no1 ZINC000436826812 237187682 /nfs/dbraw/zinc/18/76/82/237187682.db2.gz QWXHIHJDNBCOPX-DAXSKMNVSA-N -1 3 279.299 3.316 20 0 CGADHM Cc1nn(C)c2cc(NC(=O)c3ccc([O-])c(C)c3)ccc12 ZINC000436826341 237191343 /nfs/dbraw/zinc/19/13/43/237191343.db2.gz KNRUWBJYGIFEJL-UHFFFAOYSA-N -1 3 295.342 3.148 20 0 CGADHM Cc1ccc(C(=O)N2CC[C@H](CC3CC3)C2)c([O-])c1C ZINC000436722350 237167861 /nfs/dbraw/zinc/16/78/61/237167861.db2.gz MOLSDHRFMFDTDB-CQSZACIVSA-N -1 3 273.376 3.271 20 0 CGADHM CCCn1c(=O)[n-]nc1SCc1cc(C)sc1C ZINC000341537738 216005058 /nfs/dbraw/zinc/00/50/58/216005058.db2.gz VQILMNADFDWCBU-UHFFFAOYSA-N -1 3 283.422 3.364 20 0 CGADHM C[C@H](CF)NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436739499 237171227 /nfs/dbraw/zinc/17/12/27/237171227.db2.gz OLMZCAKXULPTAW-LLVKDONJSA-N -1 3 289.306 3.272 20 0 CGADHM CO[C@@](C)(c1noc(-c2ccc(C)cc2[O-])n1)C1CC1 ZINC000436956141 237223133 /nfs/dbraw/zinc/22/31/33/237223133.db2.gz OYLATWPBMBWOGI-OAHLLOKOSA-N -1 3 274.320 3.022 20 0 CGADHM Cc1ccc(-c2nc(Cc3cscn3)no2)c([O-])c1C ZINC000436897653 237203333 /nfs/dbraw/zinc/20/33/33/237203333.db2.gz SOFHTQDOTDAFPS-UHFFFAOYSA-N -1 3 287.344 3.106 20 0 CGADHM Cc1ccc(O[C@H](C)CNC(=O)c2ccc([O-])c(C)c2)cc1 ZINC000436925116 237212209 /nfs/dbraw/zinc/21/22/09/237212209.db2.gz FWEXJUBBCBYXKG-CQSZACIVSA-N -1 3 299.370 3.206 20 0 CGADHM Cc1cc(C(=O)N[C@H](C)CC(=O)c2ccccc2)ccc1[O-] ZINC000436926659 237214354 /nfs/dbraw/zinc/21/43/54/237214354.db2.gz OCNWKOWUFQELPT-CYBMUJFWSA-N -1 3 297.354 3.092 20 0 CGADHM Cc1n[nH]c2cc(NC(=O)c3ccc([O-])c(C)c3)ccc12 ZINC000436927988 237214520 /nfs/dbraw/zinc/21/45/20/237214520.db2.gz AXFYAVDHLIUJOV-UHFFFAOYSA-N -1 3 281.315 3.138 20 0 CGADHM Cc1cc(C(=O)N[C@H](C)CCc2ccc(O)cc2)ccc1[O-] ZINC000436935481 237215870 /nfs/dbraw/zinc/21/58/70/237215870.db2.gz CHZNDMLDUCXZAG-CYBMUJFWSA-N -1 3 299.370 3.157 20 0 CGADHM CC(C)c1cc(C(=O)[N-]c2cccc3ocnc32)on1 ZINC000341589348 216023914 /nfs/dbraw/zinc/02/39/14/216023914.db2.gz TUKIPIOIBPPUBP-UHFFFAOYSA-N -1 3 271.276 3.192 20 0 CGADHM CCOc1cc(CN2CC[C@@H]2CC)cc(Cl)c1[O-] ZINC000297326580 200149886 /nfs/dbraw/zinc/14/98/86/200149886.db2.gz DCEPCIKSTDESKW-NSHDSACASA-N -1 3 269.772 3.429 20 0 CGADHM CC[C@H](C)CON=C([O-])Nc1ccccc1OCCF ZINC000297381201 200170768 /nfs/dbraw/zinc/17/07/68/200170768.db2.gz LHQCQVCGSUKSCF-NSHDSACASA-N -1 3 284.331 3.134 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)Nc1ccccc1OCCF ZINC000297381201 200170770 /nfs/dbraw/zinc/17/07/70/200170770.db2.gz LHQCQVCGSUKSCF-NSHDSACASA-N -1 3 284.331 3.134 20 0 CGADHM O=C([C@@H]1CC12CCCC2)N1CCCc2cccc([O-])c21 ZINC000490877511 296001070 /nfs/dbraw/zinc/00/10/70/296001070.db2.gz KRKKZIFVRHSXLB-ZDUSSCGKSA-N -1 3 271.360 3.252 20 0 CGADHM COc1ccc([C@@H]2CCCN2C(=O)c2cccc([O-])c2)cc1 ZINC000176982011 189018436 /nfs/dbraw/zinc/01/84/36/189018436.db2.gz QTFDWMQAGZOXHO-KRWDZBQOSA-N -1 3 297.354 3.378 20 0 CGADHM O=C(CCC1CCCCC1)[N-]OCc1ccc(CO)cc1 ZINC000180376677 189252303 /nfs/dbraw/zinc/25/23/03/189252303.db2.gz NGCJIHURJYZHMZ-UHFFFAOYSA-N -1 3 291.391 3.087 20 0 CGADHM COc1ccccc1CN(C(=O)c1cccc([O-])c1)C1CC1 ZINC000182140033 189315369 /nfs/dbraw/zinc/31/53/69/189315369.db2.gz CJBKOROYVOBJTI-UHFFFAOYSA-N -1 3 297.354 3.206 20 0 CGADHM CN(C(=O)Cc1ccc([O-])c(F)c1)C1CCCCCC1 ZINC000448648060 239005898 /nfs/dbraw/zinc/00/58/98/239005898.db2.gz OQTKQHVNCOOVCZ-UHFFFAOYSA-N -1 3 279.355 3.255 20 0 CGADHM Cc1ccc(-c2noc([N-]Cc3cccc(C)n3)n2)cc1 ZINC000302079360 201336171 /nfs/dbraw/zinc/33/61/71/201336171.db2.gz XHNAPSKGTRKCLH-UHFFFAOYSA-N -1 3 280.331 3.361 20 0 CGADHM CCC[C@H]1SCCN1C(=O)c1cccc(CC)c1[O-] ZINC000537640771 376190007 /nfs/dbraw/zinc/19/00/07/376190007.db2.gz JLKPMVVKYAHIRQ-CYBMUJFWSA-N -1 3 279.405 3.270 20 0 CGADHM CCc1noc(C)c1[N-]C(=O)c1ccc(F)c(F)c1F ZINC000120876967 370808396 /nfs/dbraw/zinc/80/83/96/370808396.db2.gz RGEDXAONZDQPCN-UHFFFAOYSA-N -1 3 284.237 3.215 20 0 CGADHM O=C(c1cc([O-])ccc1Cl)N1C[C@H](C2CC2)[C@@H]1C1CC1 ZINC000456259484 241386233 /nfs/dbraw/zinc/38/62/33/241386233.db2.gz RKEPTBCQRRVUCX-HIFRSBDPSA-N -1 3 291.778 3.306 20 0 CGADHM CC[C@@H](C)c1cc(C(=O)[N-]c2ncc(C(C)=O)s2)on1 ZINC000121391911 370857124 /nfs/dbraw/zinc/85/71/24/370857124.db2.gz HLWMTTSTRSOHFF-SSDOTTSWSA-N -1 3 293.348 3.100 20 0 CGADHM CCN(Cc1cccs1)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459307305 242064366 /nfs/dbraw/zinc/06/43/66/242064366.db2.gz XEUKZCLZCNWGMI-UHFFFAOYSA-N -1 3 289.404 3.143 20 0 CGADHM CCOc1cc(CN(C)C[C@@H]2CCCO2)cc(Cl)c1[O-] ZINC000459321296 242070801 /nfs/dbraw/zinc/07/08/01/242070801.db2.gz ZWGHKZJIBLOYFX-LBPRGKRZSA-N -1 3 299.798 3.055 20 0 CGADHM Cc1ccccc1-c1cc(=NC(=O)[C@H]2C[C@H]2C(C)C)[nH][n-]1 ZINC000477621352 243049123 /nfs/dbraw/zinc/04/91/23/243049123.db2.gz YWRNUVOYUNQTPK-KBPBESRZSA-N -1 3 283.375 3.038 20 0 CGADHM Cc1ccccc1-c1cc(=NC(=O)[C@@H]2C[C@H]2C(C)C)[nH][n-]1 ZINC000477621354 243049250 /nfs/dbraw/zinc/04/92/50/243049250.db2.gz YWRNUVOYUNQTPK-UONOGXRCSA-N -1 3 283.375 3.038 20 0 CGADHM CC(C)=CCCNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000480976892 243171209 /nfs/dbraw/zinc/17/12/09/243171209.db2.gz GCTBVIPLNHWZNI-UHFFFAOYSA-N -1 3 279.355 3.327 20 0 CGADHM CCCC[C@@H](CCC)NC(=O)c1ccc2n[n-]nc2c1 ZINC000482598870 243234776 /nfs/dbraw/zinc/23/47/76/243234776.db2.gz RFMZXLYQRGBVBJ-GFCCVEGCSA-N -1 3 274.368 3.047 20 0 CGADHM CCCCCCOC(=O)c1ccc([O-])c(OC)c1 ZINC000004529151 368549720 /nfs/dbraw/zinc/54/97/20/368549720.db2.gz XMZOLZUIEQZXOB-UHFFFAOYSA-N -1 3 252.310 3.138 20 0 CGADHM Cc1cc(=O)[n-]c(C=CC=Cc2ccc(F)c(F)c2)n1 ZINC000486124252 243354000 /nfs/dbraw/zinc/35/40/00/243354000.db2.gz IVWQUIVANWKVMT-ZUVMSYQZSA-N -1 3 274.270 3.083 20 0 CGADHM CCc1cc(C(=O)N(C)C[C@@H]2CC=CCC2)ccc1[O-] ZINC000487009552 243394511 /nfs/dbraw/zinc/39/45/11/243394511.db2.gz LOLQBZRSNJGLSM-CYBMUJFWSA-N -1 3 273.376 3.383 20 0 CGADHM Cc1ccc(NC(=O)C2=Cc3ccccc3OC2)c([O-])c1 ZINC000015721317 368701202 /nfs/dbraw/zinc/70/12/02/368701202.db2.gz AEOZNUVQSXQYBM-UHFFFAOYSA-N -1 3 281.311 3.115 20 0 CGADHM CCC(CC)[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000016093144 368707643 /nfs/dbraw/zinc/70/76/43/368707643.db2.gz VFCZLIBIEOCVAK-UHFFFAOYSA-N -1 3 296.219 3.460 20 0 CGADHM Cc1cccc(C(=O)N2CCC[C@@H]2c2ccncc2)c1[O-] ZINC000121830183 370900221 /nfs/dbraw/zinc/90/02/21/370900221.db2.gz GQNFXGSZONCIJJ-OAHLLOKOSA-N -1 3 282.343 3.073 20 0 CGADHM Cc1ccc(C(=O)Nc2ccc(F)c(F)c2F)c([O-])c1 ZINC000019838432 368769948 /nfs/dbraw/zinc/76/99/48/368769948.db2.gz JUYVXUDHIRGIAB-UHFFFAOYSA-N -1 3 281.233 3.370 20 0 CGADHM O=C(NCc1cccc(C(F)(F)F)c1)c1cccc([O-])c1 ZINC000019838352 368769963 /nfs/dbraw/zinc/76/99/63/368769963.db2.gz OTLPRNKDCFQRPF-UHFFFAOYSA-N -1 3 295.260 3.341 20 0 CGADHM [O-]c1ccc(-c2noc(Cc3cccs3)n2)cc1 ZINC000034956123 368981797 /nfs/dbraw/zinc/98/17/97/368981797.db2.gz FCKHEYKXUYHHDD-UHFFFAOYSA-N -1 3 258.302 3.095 20 0 CGADHM [O-]c1ccc(-c2noc(Cc3ccsc3)n2)cc1 ZINC000034956025 368981811 /nfs/dbraw/zinc/98/18/11/368981811.db2.gz ADXNMXCHYAVXMZ-UHFFFAOYSA-N -1 3 258.302 3.095 20 0 CGADHM Cc1cccc(S(=O)(=O)[N-]c2cccc(F)c2F)c1 ZINC000033596026 368966414 /nfs/dbraw/zinc/96/64/14/368966414.db2.gz FCVJBVKFMQQPDX-UHFFFAOYSA-N -1 3 283.299 3.074 20 0 CGADHM Cc1ccc([O-])c(C(=O)N(C)Cc2ccsc2)c1 ZINC000035123758 368999137 /nfs/dbraw/zinc/99/91/37/368999137.db2.gz HDETVJDHLTXFLT-UHFFFAOYSA-N -1 3 261.346 3.034 20 0 CGADHM O=C(/C=C/c1ccc(Cl)nc1)[N-]OC1CCCCC1 ZINC000492661813 244004585 /nfs/dbraw/zinc/00/45/85/244004585.db2.gz IQIJDCKOBPZUOT-VQHVLOKHSA-N -1 3 280.755 3.129 20 0 CGADHM Cc1ccccc1-c1cc(=NC(=O)C(C)(C)C2CC2)[nH][n-]1 ZINC000493306789 244137898 /nfs/dbraw/zinc/13/78/98/244137898.db2.gz UREANPCQXMSKKH-UHFFFAOYSA-N -1 3 283.375 3.182 20 0 CGADHM Cc1ccc(C(=O)N(C)Cc2ccccc2F)c([O-])c1 ZINC000042252277 369207673 /nfs/dbraw/zinc/20/76/73/369207673.db2.gz GIGYTOXOFQHBCR-UHFFFAOYSA-N -1 3 273.307 3.112 20 0 CGADHM Cc1cccc([C@H](NCc2ccccc2)C(=O)[O-])c1C ZINC000043315463 369248866 /nfs/dbraw/zinc/24/88/66/369248866.db2.gz ZIIQAMXRCANBDT-INIZCTEOSA-N -1 3 269.344 3.219 20 0 CGADHM CCc1ccc(S(=O)(=O)[N-]c2c(C)cccc2F)cc1 ZINC000494344847 244281317 /nfs/dbraw/zinc/28/13/17/244281317.db2.gz DCDGMGINKNLWBS-UHFFFAOYSA-N -1 3 293.363 3.497 20 0 CGADHM O=C([N-]c1cnns1)Nc1cccc2ccsc21 ZINC000494700582 244312647 /nfs/dbraw/zinc/31/26/47/244312647.db2.gz CYMKEZYYFUVOGZ-UHFFFAOYSA-N -1 3 276.346 3.397 20 0 CGADHM COCc1nc(C(=O)[N-]c2ccccc2SC)cs1 ZINC000049156157 369389968 /nfs/dbraw/zinc/38/99/68/369389968.db2.gz VQIGEHMEZMBZGT-UHFFFAOYSA-N -1 3 294.401 3.264 20 0 CGADHM Cc1ccc(C)c(SCC(=O)Nc2ncccc2[O-])c1 ZINC000048389972 369345924 /nfs/dbraw/zinc/34/59/24/369345924.db2.gz RDLYCLWXROEMGI-UHFFFAOYSA-N -1 3 288.372 3.135 20 0 CGADHM O=C([O-])CC[C@H]1CCCCN1Cc1cc(F)ccc1F ZINC000050925799 369444689 /nfs/dbraw/zinc/44/46/89/369444689.db2.gz GHTNNJLDARMJFT-CYBMUJFWSA-N -1 3 283.318 3.184 20 0 CGADHM COc1ccc([O-])c(C(=O)N(C)C2CCC(C)CC2)c1 ZINC000050279512 369434924 /nfs/dbraw/zinc/43/49/24/369434924.db2.gz HWPBCRRMRPFXDM-UHFFFAOYSA-N -1 3 277.364 3.052 20 0 CGADHM COc1ccc([O-])c(C(=O)Nc2ccccc2Cl)c1 ZINC000051770519 369455058 /nfs/dbraw/zinc/45/50/58/369455058.db2.gz VIHHEQBIXAXPMF-UHFFFAOYSA-N -1 3 277.707 3.307 20 0 CGADHM O=C(CCCOc1cccc(F)c1)Nc1ccccc1[O-] ZINC000059856821 369582323 /nfs/dbraw/zinc/58/23/23/369582323.db2.gz MJNRIRPEYVBCDP-UHFFFAOYSA-N -1 3 289.306 3.329 20 0 CGADHM C[C@H](c1ccccc1F)N(C)CCCCC(=O)[O-] ZINC000062015328 369613744 /nfs/dbraw/zinc/61/37/44/369613744.db2.gz DZUOKMZZTKGITR-LLVKDONJSA-N -1 3 253.317 3.073 20 0 CGADHM O=C([N-]C1CCC(c2ccccc2)CC1)C(F)(F)F ZINC000070267119 369793074 /nfs/dbraw/zinc/79/30/74/369793074.db2.gz DSNQSIPTIXKIRB-UHFFFAOYSA-N -1 3 271.282 3.391 20 0 CGADHM CCc1noc(C)c1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000336469444 213339295 /nfs/dbraw/zinc/33/92/95/213339295.db2.gz XBIVSXNODATUHB-UHFFFAOYSA-N -1 3 280.711 3.157 20 0 CGADHM COCc1cccc(CN[C@@H](C(=O)[O-])c2ccc(C)cc2)c1 ZINC000276953197 193512112 /nfs/dbraw/zinc/51/21/12/193512112.db2.gz FAGBPFQHHISARH-QGZVFWFLSA-N -1 3 299.370 3.057 20 0 CGADHM C[C@H]1CCC[C@H](CC(=O)Nc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000104367634 370344115 /nfs/dbraw/zinc/34/41/15/370344115.db2.gz KXYFBGMXPABVQH-RYUDHWBXSA-N -1 3 299.378 3.022 20 0 CGADHM C[C@H]1CCC[C@H](CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000104367634 370344122 /nfs/dbraw/zinc/34/41/22/370344122.db2.gz KXYFBGMXPABVQH-RYUDHWBXSA-N -1 3 299.378 3.022 20 0 CGADHM Cc1ccc(CN(C)Cc2ccsc2C(=O)[O-])cc1 ZINC000104336370 370344418 /nfs/dbraw/zinc/34/44/18/370344418.db2.gz OLFIZJXVOKUBHO-UHFFFAOYSA-N -1 3 275.373 3.387 20 0 CGADHM Cc1ccc([O-])c(CN[C@@H](C)c2c(F)cccc2F)n1 ZINC000112716701 370446170 /nfs/dbraw/zinc/44/61/70/370446170.db2.gz MUNGIKKLIKMVOU-JTQLQIEISA-N -1 3 278.302 3.225 20 0 CGADHM O=C(N[C@@H]1CCO[C@H](c2ccccc2)C1)c1ccccc1[O-] ZINC000132937836 371214102 /nfs/dbraw/zinc/21/41/02/371214102.db2.gz SVHSSQWSDDSBIX-PBHICJAKSA-N -1 3 297.354 3.042 20 0 CGADHM CC(C)C[C@H](C)CC(=O)NCc1ccc([O-])c(F)c1 ZINC000133112672 371227974 /nfs/dbraw/zinc/22/79/74/371227974.db2.gz FRJPACVYWHVNLN-NSHDSACASA-N -1 3 267.344 3.220 20 0 CGADHM Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)c1cccc(C)c1[O-] ZINC000134042610 371298365 /nfs/dbraw/zinc/29/83/65/371298365.db2.gz FBCMXJGSOYTPGK-AWEZNQCLSA-N -1 3 299.374 3.018 20 0 CGADHM CC1(C)CCC[C@@H](NC(=O)c2c[n-]c3ccccc3c2=O)C1 ZINC000135233904 371404557 /nfs/dbraw/zinc/40/45/57/371404557.db2.gz JSRKTSVDDKJUBV-GFCCVEGCSA-N -1 3 298.386 3.227 20 0 CGADHM O=C(Cc1ccc([O-])cc1Cl)NC[C@@H]1CC=CCC1 ZINC000136219287 371468995 /nfs/dbraw/zinc/46/89/95/371468995.db2.gz BWCFEDDPTNVUGJ-LLVKDONJSA-N -1 3 279.767 3.061 20 0 CGADHM CN(Cc1ccccc1Cl)C(=O)c1ccc(O)cc1[O-] ZINC000140269751 371509871 /nfs/dbraw/zinc/50/98/71/371509871.db2.gz GSIGTQGOGGUPCN-UHFFFAOYSA-N -1 3 291.734 3.023 20 0 CGADHM Cc1oc(C(C)C)cc1C(=O)NCc1ccc([O-])c(F)c1 ZINC000286633843 371530354 /nfs/dbraw/zinc/53/03/54/371530354.db2.gz AULNUQUWAFWVTH-UHFFFAOYSA-N -1 3 291.322 3.486 20 0 CGADHM Cc1cccc(C(=O)N2CC[C@H](C3CCCC3)C2)c1[O-] ZINC000421650356 371593835 /nfs/dbraw/zinc/59/38/35/371593835.db2.gz GXDICLVNVGJDJH-AWEZNQCLSA-N -1 3 273.376 3.353 20 0 CGADHM COc1ccc([O-])c(C(=O)N2CC[C@@H](C3CCCC3)C2)c1 ZINC000421654250 371594389 /nfs/dbraw/zinc/59/43/89/371594389.db2.gz KMXGYFPHGPOIQO-CYBMUJFWSA-N -1 3 289.375 3.053 20 0 CGADHM CCc1c([N-]C(=O)COC(C)(C)C)onc1C(F)(F)F ZINC000287872367 371713831 /nfs/dbraw/zinc/71/38/31/371713831.db2.gz NAHNYZSATTZYQQ-UHFFFAOYSA-N -1 3 294.273 3.009 20 0 CGADHM Cc1ccc2[n-]cc(C(=O)N3CCC=C(C)C3)c(=O)c2c1 ZINC000287689198 371694585 /nfs/dbraw/zinc/69/45/85/371694585.db2.gz JVGNVCGMVXSOPW-UHFFFAOYSA-N -1 3 282.343 3.041 20 0 CGADHM COCCCO[N-]C(=O)Nc1ccc(C2CCC2)cc1 ZINC000287708819 371697331 /nfs/dbraw/zinc/69/73/31/371697331.db2.gz RYYPQFNRCYRZCE-UHFFFAOYSA-N -1 3 278.352 3.044 20 0 CGADHM CSCc1ccc(NC([O-])=NOC/C=C/Cl)cc1 ZINC000289553457 371759894 /nfs/dbraw/zinc/75/98/94/371759894.db2.gz KMJWMFKJCJFXNB-FARCUNLSSA-N -1 3 286.784 3.355 20 0 CGADHM CSCc1ccc(NC(=O)[N-]OC/C=C/Cl)cc1 ZINC000289553457 371759903 /nfs/dbraw/zinc/75/99/03/371759903.db2.gz KMJWMFKJCJFXNB-FARCUNLSSA-N -1 3 286.784 3.355 20 0 CGADHM C[C@@H](N=c1ncnc2[nH][n-]cc1-2)c1cc2ccccc2s1 ZINC000337328621 214010972 /nfs/dbraw/zinc/01/09/72/214010972.db2.gz ROUVUZWYXSCEFH-SECBINFHSA-N -1 3 295.371 3.114 20 0 CGADHM Cc1cc(C(=O)[N-]c2c(C)noc2C2CC2)oc1C ZINC000154076995 371817047 /nfs/dbraw/zinc/81/70/47/371817047.db2.gz QIYWDOFJWXZAES-UHFFFAOYSA-N -1 3 260.293 3.323 20 0 CGADHM CC(C)Oc1ccccc1NC([O-])=NOC/C=C/Cl ZINC000289833992 371836996 /nfs/dbraw/zinc/83/69/96/371836996.db2.gz MUCMVYKZOVTWGL-VMPITWQZSA-N -1 3 284.743 3.279 20 0 CGADHM CC(C)Oc1ccccc1NC(=O)[N-]OC/C=C/Cl ZINC000289833992 371837002 /nfs/dbraw/zinc/83/70/02/371837002.db2.gz MUCMVYKZOVTWGL-VMPITWQZSA-N -1 3 284.743 3.279 20 0 CGADHM COc1ccc(C(=O)N2CCCc3cccc([O-])c32)c(C)c1 ZINC000155663902 371938889 /nfs/dbraw/zinc/93/88/89/371938889.db2.gz AHPFFUMZAFLGER-UHFFFAOYSA-N -1 3 297.354 3.302 20 0 CGADHM CC[C@@H](O)CSc1nnc([N-]c2ccccc2F)s1 ZINC000156113038 371962054 /nfs/dbraw/zinc/96/20/54/371962054.db2.gz BQYJCQNBABPHPZ-MRVPVSSYSA-N -1 3 299.396 3.284 20 0 CGADHM COc1ccc(F)c([N-]S(=O)(=O)CCC(C)(C)C)c1 ZINC000290499898 372001924 /nfs/dbraw/zinc/00/19/24/372001924.db2.gz KIXXMQMPBHBZMS-UHFFFAOYSA-N -1 3 289.372 3.012 20 0 CGADHM CCCC[C@H](C)N(C)C(=O)c1cc(OC)ccc1[O-] ZINC000291252825 372148789 /nfs/dbraw/zinc/14/87/89/372148789.db2.gz MTQHIXGDCKCMNN-NSHDSACASA-N -1 3 265.353 3.052 20 0 CGADHM CCN(C[C@@H](C)OC)C(=O)c1ccc(C(C)C)cc1[O-] ZINC000291328841 372161068 /nfs/dbraw/zinc/16/10/68/372161068.db2.gz UIIYXEUDBLFUGA-GFCCVEGCSA-N -1 3 279.380 3.013 20 0 CGADHM CC[C@H](C)CON=C([O-])Nc1cc(-c2ccccc2)on1 ZINC000292811370 372216361 /nfs/dbraw/zinc/21/63/61/372216361.db2.gz SBNOIGPRINTNGU-NSHDSACASA-N -1 3 289.335 3.441 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)Nc1cc(-c2ccccc2)on1 ZINC000292811370 372216367 /nfs/dbraw/zinc/21/63/67/372216367.db2.gz SBNOIGPRINTNGU-NSHDSACASA-N -1 3 289.335 3.441 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)Nc1cccc2[nH]ccc21 ZINC000292976924 372267394 /nfs/dbraw/zinc/26/73/94/372267394.db2.gz QPILVBQJAKRPCO-JTQLQIEISA-N -1 3 261.325 3.267 20 0 CGADHM CCOc1ccc(OC)cc1NC([O-])=NOC[C@@H](C)CC ZINC000293034867 372284338 /nfs/dbraw/zinc/28/43/38/372284338.db2.gz WNQPDCIQSYPGIK-NSHDSACASA-N -1 3 296.367 3.193 20 0 CGADHM CCOc1ccc(OC)cc1NC(=O)[N-]OC[C@@H](C)CC ZINC000293034867 372284342 /nfs/dbraw/zinc/28/43/42/372284342.db2.gz WNQPDCIQSYPGIK-NSHDSACASA-N -1 3 296.367 3.193 20 0 CGADHM Cc1nc(C(C)C)oc1C(=O)Nc1cc(F)ccc1[O-] ZINC000293409643 372376613 /nfs/dbraw/zinc/37/66/13/372376613.db2.gz KGAMIBBXOYKBCH-UHFFFAOYSA-N -1 3 278.283 3.203 20 0 CGADHM CC(C)(C)Oc1ccc(C(=O)Nc2ccccc2[O-])nc1 ZINC000293418556 372377826 /nfs/dbraw/zinc/37/78/26/372377826.db2.gz RHZINBNCJZNQCB-UHFFFAOYSA-N -1 3 286.331 3.217 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)Nc1ccc(-c2cc[nH]n2)cc1 ZINC000293459252 372388191 /nfs/dbraw/zinc/38/81/91/372388191.db2.gz WPKCOVZNPCAUQG-NSHDSACASA-N -1 3 288.351 3.176 20 0 CGADHM CCc1cc(=O)[n-]c(CN2CCCC[C@@H]2CC(C)C)n1 ZINC000344365966 217170172 /nfs/dbraw/zinc/17/01/72/217170172.db2.gz NGFBDNKGSQODNX-CQSZACIVSA-N -1 3 277.412 3.145 20 0 CGADHM CCc1cc(=O)[n-]c(CN(C2CC2)C2CCC(C)CC2)n1 ZINC000344341604 217158502 /nfs/dbraw/zinc/15/85/02/217158502.db2.gz DMMQGVZBIVGFCP-UHFFFAOYSA-N -1 3 289.423 3.288 20 0 CGADHM O=C([O-])C1CCC(NCc2ccc(Cl)cc2F)CC1 ZINC000162535768 372401852 /nfs/dbraw/zinc/40/18/52/372401852.db2.gz CZNBFJSVSOFYQZ-UHFFFAOYSA-N -1 3 285.746 3.212 20 0 CGADHM O=C(c1cc([O-])ccc1Cl)N1CC[C@@H]2CCC[C@H]21 ZINC000335939760 296184583 /nfs/dbraw/zinc/18/45/83/296184583.db2.gz TZJPILDTWMYFIU-TVQRCGJNSA-N -1 3 265.740 3.060 20 0 CGADHM C[C@@H](O)c1ccc(CNCc2c(F)ccc([O-])c2F)cc1 ZINC000293781168 372478787 /nfs/dbraw/zinc/47/87/87/372478787.db2.gz BAVXYIAAALHWPH-SNVBAGLBSA-N -1 3 293.313 3.014 20 0 CGADHM COc1cccc(C(=O)N(C)Cc2cccc(C)c2C)c1[O-] ZINC000293719898 372460672 /nfs/dbraw/zinc/46/06/72/372460672.db2.gz SKHNQCPPZOVFKE-UHFFFAOYSA-N -1 3 299.370 3.290 20 0 CGADHM C/C(=C\C(=O)[N-]OCC1CC1)c1ccccc1OC(F)F ZINC000293801538 372486177 /nfs/dbraw/zinc/48/61/77/372486177.db2.gz POHRELHENVWTAQ-CSKARUKUSA-N -1 3 297.301 3.149 20 0 CGADHM Cc1cc(C)c2[n-]cc(C(=O)N3CCC[C@H]3C)c(=O)c2c1 ZINC000164303515 372516060 /nfs/dbraw/zinc/51/60/60/372516060.db2.gz PFXYAZDJXPIZKZ-GFCCVEGCSA-N -1 3 284.359 3.182 20 0 CGADHM [O-]c1cccc(CN[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)c1Cl ZINC000293912995 372523234 /nfs/dbraw/zinc/52/32/34/372523234.db2.gz LZEXAQLMAWGVHP-UKPHBRMFSA-N -1 3 285.774 3.474 20 0 CGADHM CC(C)C[C@@H](NCc1cccc(Cl)c1F)C(=O)[O-] ZINC000166738899 372580250 /nfs/dbraw/zinc/58/02/50/372580250.db2.gz QTXSMCYSTLPRGX-LLVKDONJSA-N -1 3 273.735 3.068 20 0 CGADHM CCCO[C@H]1CCCN(Cc2c(F)ccc([O-])c2F)CC1 ZINC000295289655 372728785 /nfs/dbraw/zinc/72/87/85/372728785.db2.gz JCTDRFBTPVMPKD-LBPRGKRZSA-N -1 3 299.361 3.452 20 0 CGADHM CCCCOc1ccc(C(=O)N(C)[C@@H]2CC2(C)C)c([O-])c1 ZINC000436813929 372840182 /nfs/dbraw/zinc/84/01/82/372840182.db2.gz JHHVJTVSVQOOAL-OAHLLOKOSA-N -1 3 291.391 3.442 20 0 CGADHM Cc1ccc2c(CC(=O)[N-]OC(C)C)coc2c1C ZINC000295724092 372889802 /nfs/dbraw/zinc/88/98/02/372889802.db2.gz QSKNNQJSMJYFRU-UHFFFAOYSA-N -1 3 261.321 3.048 20 0 CGADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CCC(CF)CC1 ZINC000295984391 372983847 /nfs/dbraw/zinc/98/38/47/372983847.db2.gz QEKMVWSJUNKVDS-UHFFFAOYSA-N -1 3 291.366 3.093 20 0 CGADHM CCCC(=O)Nc1c(C)c(Br)ccc1[O-] ZINC000296003773 372991367 /nfs/dbraw/zinc/99/13/67/372991367.db2.gz KACFHYWEQHXZSB-UHFFFAOYSA-N -1 3 272.142 3.202 20 0 CGADHM COc1cc(C(=O)NCc2ccc(Cl)s2)ccc1[O-] ZINC000442647521 373061664 /nfs/dbraw/zinc/06/16/64/373061664.db2.gz LVKHJCYFSREAOS-UHFFFAOYSA-N -1 3 297.763 3.046 20 0 CGADHM CC(C)CC1(C(=O)Nc2ccc([O-])cc2F)CC1 ZINC000442890059 373122736 /nfs/dbraw/zinc/12/27/36/373122736.db2.gz GULTWOLTAOYUBD-UHFFFAOYSA-N -1 3 251.301 3.296 20 0 CGADHM Cc1ccc(C(=O)N2CCC[C@@H](C(C)C)C2)c([O-])c1 ZINC000444522962 373196926 /nfs/dbraw/zinc/19/69/26/373196926.db2.gz YFYZHZHTOYDWTB-CYBMUJFWSA-N -1 3 261.365 3.209 20 0 CGADHM CC(C)ON=C([O-])Nc1ccc(N(C)C(C)C)c(F)c1 ZINC000296775348 373241895 /nfs/dbraw/zinc/24/18/95/373241895.db2.gz XCTIBCSACGZOPQ-UHFFFAOYSA-N -1 3 283.347 3.132 20 0 CGADHM CC(C)O[N-]C(=O)Nc1ccc(N(C)C(C)C)c(F)c1 ZINC000296775348 373241901 /nfs/dbraw/zinc/24/19/01/373241901.db2.gz XCTIBCSACGZOPQ-UHFFFAOYSA-N -1 3 283.347 3.132 20 0 CGADHM O=C(Nc1ccc(N2CCCCC2)nc1)c1cccc([O-])c1 ZINC000298239806 373293067 /nfs/dbraw/zinc/29/30/67/373293067.db2.gz JARLZIXXLAYTQZ-UHFFFAOYSA-N -1 3 297.358 3.030 20 0 CGADHM COCCc1nsc([N-]c2csc3ccccc23)n1 ZINC000444836405 373280915 /nfs/dbraw/zinc/28/09/15/373280915.db2.gz QAEJAGZPYAQCKJ-UHFFFAOYSA-N -1 3 291.401 3.107 20 0 CGADHM CCCCS[C@@H](C)C(=O)Nc1cc(F)ccc1[O-] ZINC000174873761 373375041 /nfs/dbraw/zinc/37/50/41/373375041.db2.gz YFCAEYSJMXUKKA-VIFPVBQESA-N -1 3 271.357 3.392 20 0 CGADHM Cc1ccc([O-])c(NC(=O)C/C=C/c2ccc(F)cc2)n1 ZINC000447633988 373468533 /nfs/dbraw/zinc/46/85/33/373468533.db2.gz JOCKPIWVKFROEJ-NSCUHMNNSA-N -1 3 286.306 3.277 20 0 CGADHM CC(C)[C@H](C[N-]C(=O)C(F)(F)F)c1ccccc1 ZINC000299652214 373590821 /nfs/dbraw/zinc/59/08/21/373590821.db2.gz MFBKAWXKKSLTTC-NSHDSACASA-N -1 3 259.271 3.105 20 0 CGADHM CCC[C@@H]1CCC[C@H]1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000448620170 373627219 /nfs/dbraw/zinc/62/72/19/373627219.db2.gz BUKJMOZFJZQHGF-BXUZGUMPSA-N -1 3 299.378 3.022 20 0 CGADHM CCC[C@@H]1CCC[C@H]1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000448620170 373627228 /nfs/dbraw/zinc/62/72/28/373627228.db2.gz BUKJMOZFJZQHGF-BXUZGUMPSA-N -1 3 299.378 3.022 20 0 CGADHM CCOc1ccc(C(=O)Nc2c(C)cccc2[O-])cc1 ZINC000179552231 373885712 /nfs/dbraw/zinc/88/57/12/373885712.db2.gz KKUAXYPEHGNXMG-UHFFFAOYSA-N -1 3 271.316 3.352 20 0 CGADHM Cc1cccc(CC(=O)Nc2c(C)cccc2[O-])c1 ZINC000179562812 373888474 /nfs/dbraw/zinc/88/84/74/373888474.db2.gz FFXXVZDUXHDANU-UHFFFAOYSA-N -1 3 255.317 3.190 20 0 CGADHM Cc1ncc(/C=C/C(=O)Nc2cc(Cl)ccc2[O-])s1 ZINC000179459008 373876638 /nfs/dbraw/zinc/87/66/38/373876638.db2.gz MOILIGKQLYCWCA-HWKANZROSA-N -1 3 294.763 3.462 20 0 CGADHM CCC(=O)C1(C(=O)Nc2cc(Cl)cc(C)c2[O-])CC1 ZINC000449886058 373958407 /nfs/dbraw/zinc/95/84/07/373958407.db2.gz GDRUOHLWOGTLNE-UHFFFAOYSA-N -1 3 281.739 3.052 20 0 CGADHM CCOc1nc2cc(C(=O)N(C)[C@H](C)C(C)C)ccc2[n-]1 ZINC000449801626 373930811 /nfs/dbraw/zinc/93/08/11/373930811.db2.gz IGZAMIZMVNSJDO-LLVKDONJSA-N -1 3 289.379 3.078 20 0 CGADHM CCOc1nc2ccc(C(=O)N(C)[C@H](C)C(C)C)cc2[n-]1 ZINC000449801626 373930816 /nfs/dbraw/zinc/93/08/16/373930816.db2.gz IGZAMIZMVNSJDO-LLVKDONJSA-N -1 3 289.379 3.078 20 0 CGADHM O=C(C[C@@H]1CC[C@H]2C[C@H]21)Nc1cc(Cl)ccc1[O-] ZINC000449819785 373935946 /nfs/dbraw/zinc/93/59/46/373935946.db2.gz JSIMZSSZXAECBO-ATZCPNFKSA-N -1 3 265.740 3.420 20 0 CGADHM O=C(C[C@@H]1CC[C@H]2C[C@H]21)Nc1ccc(Cl)cc1[O-] ZINC000450221271 374006149 /nfs/dbraw/zinc/00/61/49/374006149.db2.gz QHYYBGLYOIWILZ-ATZCPNFKSA-N -1 3 265.740 3.420 20 0 CGADHM O=C(NCc1ccc([O-])c(F)c1)c1cccc2c1CCCC2 ZINC000449911822 373968252 /nfs/dbraw/zinc/96/82/52/373968252.db2.gz JDIUUPOSZWAFHI-UHFFFAOYSA-N -1 3 299.345 3.340 20 0 CGADHM Cc1noc(C)c1[C@@H](C)CC(=O)Nc1ccc([O-])cc1F ZINC000180852156 374052514 /nfs/dbraw/zinc/05/25/14/374052514.db2.gz NMBAKORJFBQTNT-QMMMGPOBSA-N -1 3 292.310 3.268 20 0 CGADHM CCCc1csc(NC(=O)Cc2ccc([O-])c(F)c2)n1 ZINC000450330368 374060974 /nfs/dbraw/zinc/06/09/74/374060974.db2.gz IQFRJVHKMFBONQ-UHFFFAOYSA-N -1 3 294.351 3.122 20 0 CGADHM CC(C)(C)C[C@@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC000307781326 374152892 /nfs/dbraw/zinc/15/28/92/374152892.db2.gz VBEAMFFIYCOOAP-LBPRGKRZSA-N -1 3 261.365 3.291 20 0 CGADHM CCCOc1cccc(NC(=O)c2cccc([O-])c2)c1 ZINC000181956395 374196471 /nfs/dbraw/zinc/19/64/71/374196471.db2.gz LEYQPFOWAFIGNX-UHFFFAOYSA-N -1 3 271.316 3.433 20 0 CGADHM Cc1ccccc1C[C@@H](C)NC(=O)c1cccc([O-])c1 ZINC000182135465 374225144 /nfs/dbraw/zinc/22/51/44/374225144.db2.gz FXXGJKMEHXEZAA-CYBMUJFWSA-N -1 3 269.344 3.062 20 0 CGADHM CCc1c2ccccc2oc1C(=O)N=c1[n-]oc(C)c1C ZINC000452159097 374257582 /nfs/dbraw/zinc/25/75/82/374257582.db2.gz FLYXHLGULCHHQW-UHFFFAOYSA-N -1 3 284.315 3.274 20 0 CGADHM Cc1ccccc1-n1nccc1NC(=O)c1cccc([O-])c1 ZINC000182444438 374273934 /nfs/dbraw/zinc/27/39/34/374273934.db2.gz HJVMWOINHMTPBP-UHFFFAOYSA-N -1 3 293.326 3.139 20 0 CGADHM Cc1ccc(C[C@@H](C)N(C)C(=O)c2cccc([O-])c2)cc1 ZINC000182483407 374278673 /nfs/dbraw/zinc/27/86/73/374278673.db2.gz LGLKOLUWDVEGEC-CQSZACIVSA-N -1 3 283.371 3.404 20 0 CGADHM C[C@H](CNC(=O)c1cccc([O-])c1)Sc1ccccc1 ZINC000182521191 374285749 /nfs/dbraw/zinc/28/57/49/374285749.db2.gz PTRHNLQRSGYCOL-GFCCVEGCSA-N -1 3 287.384 3.303 20 0 CGADHM Cc1ccc(CN(C)CCOc2cccc(C(=O)[O-])c2)cc1 ZINC000314256952 374315813 /nfs/dbraw/zinc/31/58/13/374315813.db2.gz LQCMPFZTVKEUNV-UHFFFAOYSA-N -1 3 299.370 3.204 20 0 CGADHM Cc1cccc([O-])c1NC(=O)c1cccc2cc[nH]c21 ZINC000183022178 374355344 /nfs/dbraw/zinc/35/53/44/374355344.db2.gz XGHHEQJGZFOBFJ-UHFFFAOYSA-N -1 3 266.300 3.434 20 0 CGADHM CCSCCCNCc1cccc([O-])c1Cl ZINC000328478893 374365716 /nfs/dbraw/zinc/36/57/16/374365716.db2.gz QDQNTYCJYMYZSF-UHFFFAOYSA-N -1 3 259.802 3.278 20 0 CGADHM C[C@H]1CCc2ccccc2[C@@H]1NC(=O)c1cccc([O-])c1 ZINC000182952934 374349971 /nfs/dbraw/zinc/34/99/71/374349971.db2.gz UUXBFNZXKPHGJG-YVEFUNNKSA-N -1 3 281.355 3.446 20 0 CGADHM O=C(CCc1cccs1)Nc1ccc([O-])cc1F ZINC000183251223 374391138 /nfs/dbraw/zinc/39/11/38/374391138.db2.gz ZALDBKKETJDRNZ-UHFFFAOYSA-N -1 3 265.309 3.164 20 0 CGADHM CC(C)c1cccc(N(C)C(=O)c2cccc3nn[n-]c32)c1 ZINC000183486967 374419866 /nfs/dbraw/zinc/41/98/66/374419866.db2.gz RHQNQQFZQINBCW-UHFFFAOYSA-N -1 3 294.358 3.358 20 0 CGADHM CC(C)c1cccc(N(C)C(=O)c2cccc3[n-]nnc32)c1 ZINC000183486967 374419872 /nfs/dbraw/zinc/41/98/72/374419872.db2.gz RHQNQQFZQINBCW-UHFFFAOYSA-N -1 3 294.358 3.358 20 0 CGADHM CC(C)c1cccc(N(C)C(=O)c2cccc3n[n-]nc32)c1 ZINC000183486967 374419876 /nfs/dbraw/zinc/41/98/76/374419876.db2.gz RHQNQQFZQINBCW-UHFFFAOYSA-N -1 3 294.358 3.358 20 0 CGADHM CC1CCC(N(C(=O)c2cccc3[n-]nnc32)C2CC2)CC1 ZINC000183502528 374420178 /nfs/dbraw/zinc/42/01/78/374420178.db2.gz TVMXPNKVECVAOS-UHFFFAOYSA-N -1 3 298.390 3.141 20 0 CGADHM CC1CCC(N(C(=O)c2cccc3nn[n-]c32)C2CC2)CC1 ZINC000183502528 374420182 /nfs/dbraw/zinc/42/01/82/374420182.db2.gz TVMXPNKVECVAOS-UHFFFAOYSA-N -1 3 298.390 3.141 20 0 CGADHM CC1CCC(N(C(=O)c2cccc3n[n-]nc32)C2CC2)CC1 ZINC000183502528 374420190 /nfs/dbraw/zinc/42/01/90/374420190.db2.gz TVMXPNKVECVAOS-UHFFFAOYSA-N -1 3 298.390 3.141 20 0 CGADHM C[C@@H](c1ccc(F)cc1)N1CCC(C)(C(=O)[O-])CC1 ZINC000086777012 541940408 /nfs/dbraw/zinc/94/04/08/541940408.db2.gz OYBDIBZTODBKQN-NSHDSACASA-N -1 3 265.328 3.073 20 0 CGADHM C[C@@H]1OCC[C@H]1C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000330414505 374460474 /nfs/dbraw/zinc/46/04/74/374460474.db2.gz TXLOSBFIHLQARA-CMPLNLGQSA-N -1 3 277.364 3.053 20 0 CGADHM Cc1ccccc1CN1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000087612510 541945162 /nfs/dbraw/zinc/94/51/62/541945162.db2.gz IQMQWNJMLYSMEC-QGZVFWFLSA-N -1 3 281.355 3.179 20 0 CGADHM O=[S@](Cc1cccc(Cl)c1)c1cccc([O-])c1 ZINC000184039704 374483924 /nfs/dbraw/zinc/48/39/24/374483924.db2.gz NHRVWGHJWMNWML-QGZVFWFLSA-N -1 3 266.749 3.353 20 0 CGADHM Cc1nc(C(=O)Nc2ncccc2[O-])c(-c2ccccc2)o1 ZINC000184437586 374523705 /nfs/dbraw/zinc/52/37/05/374523705.db2.gz OGOHXQBCQQBUHU-UHFFFAOYSA-N -1 3 295.298 3.003 20 0 CGADHM CO[C@H]1CCC[C@H](CC(=O)Nc2ccc([O-])cc2F)C1 ZINC000331062317 374500951 /nfs/dbraw/zinc/50/09/51/374500951.db2.gz NWWBYWGYKRZRHP-JQWIXIFHSA-N -1 3 281.327 3.065 20 0 CGADHM CC(C)c1ncsc1NC(=O)Cc1ccc([O-])c(F)c1 ZINC000456431917 374542585 /nfs/dbraw/zinc/54/25/85/374542585.db2.gz CXUIOGIMCDFVQI-UHFFFAOYSA-N -1 3 294.351 3.292 20 0 CGADHM CCc1cc(=O)[n-]c(CSCc2ccc(C)nc2C)n1 ZINC000184830502 374563237 /nfs/dbraw/zinc/56/32/37/374563237.db2.gz KSTYDGBPZSYUBQ-UHFFFAOYSA-N -1 3 289.404 3.190 20 0 CGADHM Cc1ccc2c(CS[C@@H](C)[C@H](C)O)ccc([O-])c2n1 ZINC000332729203 374590964 /nfs/dbraw/zinc/59/09/64/374590964.db2.gz QXFQIGAJGHXPKQ-QWRGUYRKSA-N -1 3 277.389 3.251 20 0 CGADHM [O-]c1cccc(CN[C@@H]2Cc3cccc(O)c3C2)c1Cl ZINC000334229339 206223469 /nfs/dbraw/zinc/22/34/69/206223469.db2.gz IDBBYAYCXLHDLU-GFCCVEGCSA-N -1 3 289.762 3.008 20 0 CGADHM Cc1ccc(F)c(C(=O)Nc2cccc([O-])c2F)c1F ZINC000334378925 374697808 /nfs/dbraw/zinc/69/78/08/374697808.db2.gz HDJNGDKIQWKWII-UHFFFAOYSA-N -1 3 281.233 3.370 20 0 CGADHM Cc1cccc(C(=O)NC2CCC(C(F)F)CC2)c1[O-] ZINC000458152667 374706607 /nfs/dbraw/zinc/70/66/07/374706607.db2.gz WNLIVQOOCARREG-UHFFFAOYSA-N -1 3 283.318 3.254 20 0 CGADHM CCc1cc(C(=O)NC2(C3CCC3)CCC2)ccc1[O-] ZINC000458193772 374718138 /nfs/dbraw/zinc/71/81/38/374718138.db2.gz DDFYVBACDQOXCD-UHFFFAOYSA-N -1 3 273.376 3.407 20 0 CGADHM CN(Cc1ccc(F)cc1)Cc1cc([O-])cc(F)c1 ZINC000186160953 374806442 /nfs/dbraw/zinc/80/64/42/374806442.db2.gz BIWUMJYNFKDGGM-UHFFFAOYSA-N -1 3 263.287 3.302 20 0 CGADHM COCCN(Cc1ccc(C)o1)Cc1cc([O-])cc(F)c1 ZINC000186247121 374819872 /nfs/dbraw/zinc/81/98/72/374819872.db2.gz HTFICTDNEBONPQ-UHFFFAOYSA-N -1 3 293.338 3.081 20 0 CGADHM Cc1c(C(=O)Nc2ccccc2[O-])ccn1C(C)C ZINC000334481918 374787099 /nfs/dbraw/zinc/78/70/99/374787099.db2.gz WCGRYPNQDPVNKC-UHFFFAOYSA-N -1 3 258.321 3.335 20 0 CGADHM C[C@@H]1CCN(C(=O)Cc2cccc(O)c2)c2c([O-])cccc21 ZINC000186343450 374834671 /nfs/dbraw/zinc/83/46/71/374834671.db2.gz FKTZQNVPMPYGFK-GFCCVEGCSA-N -1 3 297.354 3.181 20 0 CGADHM COc1ccc(F)cc1CC(=O)Nc1ccc(C)cc1[O-] ZINC000186403248 374844436 /nfs/dbraw/zinc/84/44/36/374844436.db2.gz LJNWNLRBRKHNLG-UHFFFAOYSA-N -1 3 289.306 3.030 20 0 CGADHM O=C(c1cc([O-])ccc1C(F)(F)F)N1CC[C@@H]1C1CC1 ZINC000334689869 374977623 /nfs/dbraw/zinc/97/76/23/374977623.db2.gz NGMCCWHAQNVNGO-GFCCVEGCSA-N -1 3 285.265 3.036 20 0 CGADHM Cc1ccc(C(=O)N2Cc3ccccc3C3(CC3)C2)c([O-])c1 ZINC000187300207 374999557 /nfs/dbraw/zinc/99/95/57/374999557.db2.gz OEVDRDMQWZIQOB-UHFFFAOYSA-N -1 3 293.366 3.388 20 0 CGADHM O=C([N-]c1nnc(C(F)F)s1)c1ccc(F)cc1F ZINC000334721930 375003687 /nfs/dbraw/zinc/00/36/87/375003687.db2.gz BAWXLJKOUNVJAM-UHFFFAOYSA-N -1 3 291.229 3.006 20 0 CGADHM Cc1ccc(NC(=O)[C@@H]2CCc3cc(C)ccc3O2)c([O-])c1 ZINC000474197123 375088814 /nfs/dbraw/zinc/08/88/14/375088814.db2.gz VCZPXHLMZXOXSV-KRWDZBQOSA-N -1 3 297.354 3.341 20 0 CGADHM COC(=O)c1cnc(S[C@@H](C)c2ccc(F)cc2)[n-]1 ZINC000187599952 375053429 /nfs/dbraw/zinc/05/34/29/375053429.db2.gz NWIYEPHVLGBCQC-QMMMGPOBSA-N -1 3 280.324 3.189 20 0 CGADHM Cc1cc(S(=O)(=O)[N-]CC(C)(C)C)sc1Cl ZINC000473911375 375067292 /nfs/dbraw/zinc/06/72/92/375067292.db2.gz HLLBSKDSWLRMEP-UHFFFAOYSA-N -1 3 281.830 3.034 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])c1csc(Cl)c1 ZINC000188649229 375246605 /nfs/dbraw/zinc/24/66/05/375246605.db2.gz WIKIESMPVNNVOT-UHFFFAOYSA-N -1 3 271.700 3.499 20 0 CGADHM CCc1cc(C(=O)N2CCc3c2cccc3F)ccc1[O-] ZINC000487152383 375200857 /nfs/dbraw/zinc/20/08/57/375200857.db2.gz KRHNFTREKHIVLD-UHFFFAOYSA-N -1 3 285.318 3.297 20 0 CGADHM C[C@@H](c1ccc(Cl)cc1Cl)N(C)CCC(=O)[O-] ZINC000083662505 296227064 /nfs/dbraw/zinc/22/70/64/296227064.db2.gz KSKXFTIENVWBPC-QMMMGPOBSA-N -1 3 276.163 3.461 20 0 CGADHM O=C(Nc1ccncc1)c1cc([O-])ccc1C(F)(F)F ZINC000188915305 375290826 /nfs/dbraw/zinc/29/08/26/375290826.db2.gz OYNKFDGYUMPIPQ-UHFFFAOYSA-N -1 3 282.221 3.058 20 0 CGADHM O=C(c1cccc([O-])c1)N1CC2(CCC2)[C@@H]1c1ccco1 ZINC000335444678 375298009 /nfs/dbraw/zinc/29/80/09/375298009.db2.gz MIKRQAQNCAUWQC-HNNXBMFYSA-N -1 3 283.327 3.353 20 0 CGADHM O=C(NC[C@H]1CCCC1(F)F)c1cc([O-])ccc1Cl ZINC000335414653 375274056 /nfs/dbraw/zinc/27/40/56/375274056.db2.gz CJMJZDZDWNUYTB-MRVPVSSYSA-N -1 3 289.709 3.211 20 0 CGADHM CC(=O)c1ccc(C(=O)[N-]c2ccc(F)c(F)c2F)o1 ZINC000335745400 375395327 /nfs/dbraw/zinc/39/53/27/375395327.db2.gz JTABTWGXCBMPAI-UHFFFAOYSA-N -1 3 283.205 3.152 20 0 CGADHM CCC1(CNC(=O)c2cc([O-])ccc2C(F)(F)F)CC1 ZINC000189481505 375395662 /nfs/dbraw/zinc/39/56/62/375395662.db2.gz TWBPKKZEYDMWRU-UHFFFAOYSA-N -1 3 287.281 3.331 20 0 CGADHM Cc1csc(C(=O)NCc2ccc([O-])c(F)c2)c1Cl ZINC000335770154 375416320 /nfs/dbraw/zinc/41/63/20/375416320.db2.gz UZLTYZSWQINQPW-UHFFFAOYSA-N -1 3 299.754 3.485 20 0 CGADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCCCO1 ZINC000190081349 375476534 /nfs/dbraw/zinc/47/65/34/375476534.db2.gz XARPRAYYBCWLDC-UHFFFAOYSA-N -1 3 299.326 3.352 20 0 CGADHM Cc1ccc([C@@H]2CCCN2C(=O)c2csc(=O)[n-]2)cc1 ZINC000335857355 375488642 /nfs/dbraw/zinc/48/86/42/375488642.db2.gz UPYCDZCFDZPWQD-ZDUSSCGKSA-N -1 3 288.372 3.134 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])[C@@H]1CCC(=O)c2ccccc21 ZINC000335894286 375519658 /nfs/dbraw/zinc/51/96/58/375519658.db2.gz YGELIPXHVAJRQW-CYBMUJFWSA-N -1 3 299.301 3.230 20 0 CGADHM Cc1ccc(NC(=O)c2c[nH]c(C(F)(F)F)c2)c([O-])c1 ZINC000335951492 375564909 /nfs/dbraw/zinc/56/49/09/375564909.db2.gz IWYGBRMCPIZKNJ-UHFFFAOYSA-N -1 3 284.237 3.300 20 0 CGADHM Cc1noc(C)c1[N-]C(=O)c1ccc(F)c(Cl)c1F ZINC000336016538 375621563 /nfs/dbraw/zinc/62/15/63/375621563.db2.gz NPHZASQTBBOJAJ-UHFFFAOYSA-N -1 3 286.665 3.475 20 0 CGADHM COCc1ccc(S[C@@H](C)c2nc(C)cc(=O)[n-]2)cc1 ZINC000121722878 542020843 /nfs/dbraw/zinc/02/08/43/542020843.db2.gz ZDRCRIXGZWIESM-NSHDSACASA-N -1 3 290.388 3.490 20 0 CGADHM CC(C)CC(CC(C)C)[N-]S(=O)(=O)c1cccs1 ZINC000507464855 375704025 /nfs/dbraw/zinc/70/40/25/375704025.db2.gz OQRGQUSYDSQSPD-UHFFFAOYSA-N -1 3 289.466 3.487 20 0 CGADHM O=C([N-]c1ncn(C2CCCCC2)n1)c1ccoc1Cl ZINC000192355384 375737807 /nfs/dbraw/zinc/73/78/07/375737807.db2.gz VWSKHKFDIVQGHT-UHFFFAOYSA-N -1 3 294.742 3.282 20 0 CGADHM [O-]c1ccc(F)c(CN2C[C@@H]3CCCC[C@H]3C2)c1F ZINC000508598102 375752058 /nfs/dbraw/zinc/75/20/58/375752058.db2.gz ZBWUJHKZHHQHSZ-QWRGUYRKSA-N -1 3 267.319 3.292 20 0 CGADHM O=C(c1cccc([O-])c1)N1CCC[C@H]1c1cccs1 ZINC000192722701 375781930 /nfs/dbraw/zinc/78/19/30/375781930.db2.gz VOMZAIHRPNBKQI-ZDUSSCGKSA-N -1 3 273.357 3.431 20 0 CGADHM CC(=O)c1cccc(C(=O)N2CCCc3cccc([O-])c32)c1 ZINC000336362328 375782317 /nfs/dbraw/zinc/78/23/17/375782317.db2.gz QBLFRVZSHRKOTI-UHFFFAOYSA-N -1 3 295.338 3.188 20 0 CGADHM CCN(Cc1ccccc1)[C@@H](C)c1nc(C)cc(=O)[n-]1 ZINC000192525127 375761531 /nfs/dbraw/zinc/76/15/31/375761531.db2.gz AJRHSXFBXLPWGG-ZDUSSCGKSA-N -1 3 271.364 3.074 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)N(C)Cc2cc3ccccc3o2)n1 ZINC000192609351 375771787 /nfs/dbraw/zinc/77/17/87/375771787.db2.gz CQNMUWDWRALHSN-GFCCVEGCSA-N -1 3 297.358 3.430 20 0 CGADHM Cc1ccc([O-])c(NC(=O)C[C@@H](C)c2ccccc2)n1 ZINC000345986801 217771253 /nfs/dbraw/zinc/77/12/53/217771253.db2.gz OLQZXAQXKPQFQG-LLVKDONJSA-N -1 3 270.332 3.228 20 0 CGADHM Cc1ccc(NC(=O)c2cc([O-])ccc2C(F)(F)F)cn1 ZINC000193604106 375899064 /nfs/dbraw/zinc/89/90/64/375899064.db2.gz DZKZGZZUEDUPNW-UHFFFAOYSA-N -1 3 296.248 3.367 20 0 CGADHM Cc1cc(C(=O)N[C@H]2CC3CCC2CC3)ccc1[O-] ZINC000336817796 375972402 /nfs/dbraw/zinc/97/24/02/375972402.db2.gz RXBCTIUNFNPBDE-YIZWMMSDSA-N -1 3 259.349 3.009 20 0 CGADHM C[C@H]1CCCC[C@@H]1CNC(=O)c1c[n-]c2ccccc2c1=O ZINC000194360189 375991963 /nfs/dbraw/zinc/99/19/63/375991963.db2.gz JOINNKQVGMGGDV-QWHCGFSZSA-N -1 3 298.386 3.084 20 0 CGADHM CCc1cccc(C(=O)N2[C@@H](C)CC[C@@H]2CC)c1[O-] ZINC000536817140 376132163 /nfs/dbraw/zinc/13/21/63/376132163.db2.gz XSMUWDUBISBEFV-AAEUAGOBSA-N -1 3 261.365 3.358 20 0 CGADHM O=C(Nc1ccccc1Cl)c1cc(F)cc2[n-]nnc21 ZINC000337203154 376135582 /nfs/dbraw/zinc/13/55/82/376135582.db2.gz GCBPEKXJFVNIFB-UHFFFAOYSA-N -1 3 290.685 3.003 20 0 CGADHM O=C(Nc1ccccc1Cl)c1cc(F)cc2nn[n-]c21 ZINC000337203154 376135591 /nfs/dbraw/zinc/13/55/91/376135591.db2.gz GCBPEKXJFVNIFB-UHFFFAOYSA-N -1 3 290.685 3.003 20 0 CGADHM O=C(Nc1ccccc1Cl)c1cc(F)cc2n[n-]nc21 ZINC000337203154 376135601 /nfs/dbraw/zinc/13/56/01/376135601.db2.gz GCBPEKXJFVNIFB-UHFFFAOYSA-N -1 3 290.685 3.003 20 0 CGADHM CO[C@H]1Cc2ccccc2N(Cc2cc([O-])cc(F)c2)C1 ZINC000337523925 376227651 /nfs/dbraw/zinc/22/76/51/376227651.db2.gz AQGYJSPBVCOCRH-INIZCTEOSA-N -1 3 287.334 3.109 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CCC=C(c3ccco3)C2)c1 ZINC000334274140 206293880 /nfs/dbraw/zinc/29/38/80/206293880.db2.gz AVQRCCZKNQHBRS-UHFFFAOYSA-N -1 3 283.327 3.223 20 0 CGADHM COCCOc1cccc(NCc2cc([O-])cc(F)c2)c1 ZINC000223115032 376245414 /nfs/dbraw/zinc/24/54/14/376245414.db2.gz IKBCPNVNLYSKHD-UHFFFAOYSA-N -1 3 291.322 3.169 20 0 CGADHM Cc1cscc1CNCc1cc([O-])cc(F)c1 ZINC000223140606 376245656 /nfs/dbraw/zinc/24/56/56/376245656.db2.gz KHJTYPIQSBJOIO-UHFFFAOYSA-N -1 3 251.326 3.191 20 0 CGADHM Cc1ccc(C(=O)N[C@@H](C(C)(C)C)C(F)(F)F)c([O-])c1 ZINC000538775474 376270160 /nfs/dbraw/zinc/27/01/60/376270160.db2.gz LQAFTLYHTMYWIG-LBPRGKRZSA-N -1 3 289.297 3.407 20 0 CGADHM CC(C)(NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2)C1CC1 ZINC000539914898 376347416 /nfs/dbraw/zinc/34/74/16/376347416.db2.gz VHFMPEJOROBCQC-UHFFFAOYSA-N -1 3 289.375 3.024 20 0 CGADHM CC[C@](C)(OC)c1noc(-c2ccc(C)cc2[O-])n1 ZINC000227832857 376415220 /nfs/dbraw/zinc/41/52/20/376415220.db2.gz FEACPRZFJOFHNV-AWEZNQCLSA-N -1 3 262.309 3.022 20 0 CGADHM CCc1ccccc1[C@H]1C[C@H]1C(=O)Nc1ncccc1[O-] ZINC000338543100 376416889 /nfs/dbraw/zinc/41/68/89/376416889.db2.gz WOYJXONLLIYOIO-ZIAGYGMSSA-N -1 3 282.343 3.092 20 0 CGADHM Cc1cc(C(=O)Nc2ccc(F)cc2F)ccc1[O-] ZINC000226951579 376377064 /nfs/dbraw/zinc/37/70/64/376377064.db2.gz YYCADFWZXIZZRJ-UHFFFAOYSA-N -1 3 263.243 3.231 20 0 CGADHM Cc1cc(C(=O)Nc2cccc(F)c2C)ccc1[O-] ZINC000226998439 376377184 /nfs/dbraw/zinc/37/71/84/376377184.db2.gz LZZWJJARAAIEBL-UHFFFAOYSA-N -1 3 259.280 3.400 20 0 CGADHM CC[C@@H](C)N(CC(=O)[O-])Cc1c(Cl)cccc1OC ZINC000228804860 376449848 /nfs/dbraw/zinc/44/98/48/376449848.db2.gz CAHPWYASXMEBGO-SNVBAGLBSA-N -1 3 285.771 3.034 20 0 CGADHM O=C([N-]c1c(F)cccc1F)c1ncoc1C1CC1 ZINC000334278447 206300647 /nfs/dbraw/zinc/30/06/47/206300647.db2.gz UIYHXEQYDMCBTE-UHFFFAOYSA-N -1 3 264.231 3.083 20 0 CGADHM CC(C)(NC(=O)c1cc([O-])ccc1Cl)c1nccs1 ZINC000232530047 376581772 /nfs/dbraw/zinc/58/17/72/376581772.db2.gz CCIMLSAYCSFKPF-UHFFFAOYSA-N -1 3 296.779 3.167 20 0 CGADHM CC[C@]1(C)C[C@@H]1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000339007894 376625956 /nfs/dbraw/zinc/62/59/56/376625956.db2.gz YUYZYSNRSNZRRC-NOZJJQNGSA-N -1 3 253.729 3.420 20 0 CGADHM CSCC[C@@H](C)N(C)C(=O)c1cc([O-])ccc1Cl ZINC000235035716 376630340 /nfs/dbraw/zinc/63/03/40/376630340.db2.gz AAHRPMRVPCLZBZ-SECBINFHSA-N -1 3 287.812 3.259 20 0 CGADHM Cc1cccc(CNC(=O)c2cc([O-])ccc2Cl)c1 ZINC000235918307 376651903 /nfs/dbraw/zinc/65/19/03/376651903.db2.gz DDRHQKNKQJBPLR-UHFFFAOYSA-N -1 3 275.735 3.284 20 0 CGADHM Cc1ccc(NC(=O)C2Cc3ccccc3C2)c([O-])c1 ZINC000235998602 376657351 /nfs/dbraw/zinc/65/73/51/376657351.db2.gz DCUINAZBPZPRJF-UHFFFAOYSA-N -1 3 267.328 3.054 20 0 CGADHM CC(C)(C)[C@H]1CCN(C(=O)Cc2ccc([O-])cc2Cl)C1 ZINC000544296338 376720538 /nfs/dbraw/zinc/72/05/38/376720538.db2.gz AZFWPNAEISQNNX-LBPRGKRZSA-N -1 3 295.810 3.483 20 0 CGADHM COc1ccc(NC(=O)c2cccc(C)c2C)c([O-])c1 ZINC000135414353 542087088 /nfs/dbraw/zinc/08/70/88/542087088.db2.gz KCOAPUSIPSTDTL-UHFFFAOYSA-N -1 3 271.316 3.270 20 0 CGADHM COc1ccc(NC(=O)C2(c3ccccc3)CC2)c([O-])c1 ZINC000135414042 542087191 /nfs/dbraw/zinc/08/71/91/542087191.db2.gz JYIWUEJSGCYIIS-UHFFFAOYSA-N -1 3 283.327 3.071 20 0 CGADHM COc1ccc(NC(=O)c2cc(F)c(F)cc2F)c([O-])c1 ZINC000135418062 542087693 /nfs/dbraw/zinc/08/76/93/542087693.db2.gz FCIHSQYFOLLROO-UHFFFAOYSA-N -1 3 297.232 3.070 20 0 CGADHM CCOc1ccccc1C(=O)Nc1ccc(OC)cc1[O-] ZINC000135419134 542087745 /nfs/dbraw/zinc/08/77/45/542087745.db2.gz XBJNMOXAHHHLSC-UHFFFAOYSA-N -1 3 287.315 3.052 20 0 CGADHM CCc1cccc(C(=O)N[C@H](CC)CC(F)(F)F)c1[O-] ZINC000545509099 376828608 /nfs/dbraw/zinc/82/86/08/376828608.db2.gz QHKWQOSVBGLUSW-SNVBAGLBSA-N -1 3 289.297 3.415 20 0 CGADHM CC(C)c1ccoc1C(=O)NCc1ccc([O-])c(F)c1 ZINC000339960646 376881512 /nfs/dbraw/zinc/88/15/12/376881512.db2.gz UVAYPAMZZRNWCL-UHFFFAOYSA-N -1 3 277.295 3.178 20 0 CGADHM CC1(C)CC(C)(C)c2cc(NC(=O)c3nc[n-]n3)ccc21 ZINC000340370646 377025074 /nfs/dbraw/zinc/02/50/74/377025074.db2.gz MDCKDDWSSKURRR-UHFFFAOYSA-N -1 3 284.363 3.016 20 0 CGADHM C[C@H](Oc1ccccc1F)C(=O)Nc1cc(F)ccc1[O-] ZINC000340313353 376997361 /nfs/dbraw/zinc/99/73/61/376997361.db2.gz WNTOWMYHBFHVKH-VIFPVBQESA-N -1 3 293.269 3.076 20 0 CGADHM COc1ccc(C)cc1CC(=O)Nc1cc(F)ccc1[O-] ZINC000340315521 376997550 /nfs/dbraw/zinc/99/75/50/376997550.db2.gz FMVBSYRINSUSJD-UHFFFAOYSA-N -1 3 289.306 3.030 20 0 CGADHM Cc1cccc(CN[C@@]2(C(=O)[O-])CCc3c2cccc3F)c1 ZINC000340684716 377216161 /nfs/dbraw/zinc/21/61/61/377216161.db2.gz UCHUVLSFBOYCRQ-SFHVURJKSA-N -1 3 299.345 3.150 20 0 CGADHM CC(C)(NCc1cc(C(F)(F)F)ccc1Cl)C(=O)[O-] ZINC000340671371 377205083 /nfs/dbraw/zinc/20/50/83/377205083.db2.gz NBIUAZQIURVNBI-UHFFFAOYSA-N -1 3 295.688 3.312 20 0 CGADHM CCc1cc(C(=O)Nc2ccc(F)cc2)ccc1[O-] ZINC000561091600 377205865 /nfs/dbraw/zinc/20/58/65/377205865.db2.gz KAPTUTULJPYWJO-UHFFFAOYSA-N -1 3 259.280 3.346 20 0 CGADHM C[C@@H]1CN(C(=O)c2ccccc2[O-])[C@@H]2CCCC[C@H]21 ZINC000248455044 377324515 /nfs/dbraw/zinc/32/45/15/377324515.db2.gz ZPQQARLNRCHFJN-MBNYWOFBSA-N -1 3 259.349 3.043 20 0 CGADHM CCCC[C@@H](C(=O)[O-])N(C)Cc1ccc(F)cc1F ZINC000563276728 377430004 /nfs/dbraw/zinc/43/00/04/377430004.db2.gz CTKNCEGKMSBBDE-ZDUSSCGKSA-N -1 3 271.307 3.040 20 0 CGADHM O=C([O-])CC1CCN(CCCc2ccccc2Cl)CC1 ZINC000563281493 377434801 /nfs/dbraw/zinc/43/48/01/377434801.db2.gz HZVFMDCJDMMHNT-UHFFFAOYSA-N -1 3 295.810 3.459 20 0 CGADHM CCSCC[C@H](C)N(C)Cc1cc(C)c(C(=O)[O-])o1 ZINC000563285073 377437804 /nfs/dbraw/zinc/43/78/04/377437804.db2.gz WMZAASAYLIKORF-NSHDSACASA-N -1 3 285.409 3.250 20 0 CGADHM CC[C@H](CC1CCCC1)c1nc(-c2cc(=O)[n-]cn2)no1 ZINC000563123107 377404709 /nfs/dbraw/zinc/40/47/09/377404709.db2.gz PQMJFVPUVHGSON-LLVKDONJSA-N -1 3 288.351 3.306 20 0 CGADHM O=C([N-]c1ccncc1F)c1ccc(-c2cccs2)o1 ZINC000341231844 377458025 /nfs/dbraw/zinc/45/80/25/377458025.db2.gz WMJVFABBZCTEOY-UHFFFAOYSA-N -1 3 288.303 3.216 20 0 CGADHM C[C@H](NC(=O)c1c([O-])cccc1O)[C@@H](C)c1ccccc1 ZINC000092123848 249033012 /nfs/dbraw/zinc/03/30/12/249033012.db2.gz QNKQNSDKBJONTB-NEPJUHHUSA-N -1 3 285.343 3.020 20 0 CGADHM C[C@@H](CCNC(=O)c1c([O-])cccc1O)c1ccccc1 ZINC000092120574 249033017 /nfs/dbraw/zinc/03/30/17/249033017.db2.gz DINCOXUAXOOUNP-LBPRGKRZSA-N -1 3 285.343 3.021 20 0 CGADHM [O-]c1cc(F)cc(CNc2cncc(Br)c2)c1 ZINC000185609451 249056818 /nfs/dbraw/zinc/05/68/18/249056818.db2.gz IVSRFZJCERCGMX-UHFFFAOYSA-N -1 3 297.127 3.301 20 0 CGADHM O=C([O-])CN(Cc1cc(Cl)ccc1F)C1CCCC1 ZINC000165662720 542172761 /nfs/dbraw/zinc/17/27/61/542172761.db2.gz ODLTYGPTUBWAHD-UHFFFAOYSA-N -1 3 285.746 3.308 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CC(C)(C)[C@H]2c2cccnc2)c1 ZINC000293743462 249073537 /nfs/dbraw/zinc/07/35/37/249073537.db2.gz LPWSZNNKBRWBQE-MRXNPFEDSA-N -1 3 296.370 3.319 20 0 CGADHM O=C(Nc1ccc([O-])cc1Cl)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000249920198 377543052 /nfs/dbraw/zinc/54/30/52/377543052.db2.gz VBZZQTPHMKFVPD-GDGBQDQQSA-N -1 3 251.713 3.030 20 0 CGADHM CC(C)CN(C(=O)c1cc(=O)c2ccccc2[n-]1)C1CC1 ZINC000265231697 190167878 /nfs/dbraw/zinc/16/78/78/190167878.db2.gz HKZDNRCRSVDKCO-UHFFFAOYSA-N -1 3 284.359 3.201 20 0 CGADHM Cc1ccc2c(CN(CC(F)F)C3CC3)ccc([O-])c2n1 ZINC000429673828 249132948 /nfs/dbraw/zinc/13/29/48/249132948.db2.gz BBQJXTXDRJYHMH-UHFFFAOYSA-N -1 3 292.329 3.478 20 0 CGADHM CSC[C@H]1CCCN1Cc1cc(C(=O)[O-])ccc1Cl ZINC000514943763 249195383 /nfs/dbraw/zinc/19/53/83/249195383.db2.gz MEDUFXOLKQZCNQ-GFCCVEGCSA-N -1 3 299.823 3.366 20 0 CGADHM C[C@@H]1CC[C@H](C(=O)[O-])[C@H](C)N1Cc1ccc(F)cc1F ZINC000515312473 249208477 /nfs/dbraw/zinc/20/84/77/249208477.db2.gz NELGARKNKHANBX-NRUUGDAUSA-N -1 3 283.318 3.038 20 0 CGADHM CCC1(CC)[C@H](OC)C[C@H]1N(C)Cc1cc(C(=O)[O-])co1 ZINC000516872632 249247029 /nfs/dbraw/zinc/24/70/29/249247029.db2.gz JGIGKQLENYECFC-ZIAGYGMSSA-N -1 3 295.379 3.003 20 0 CGADHM Cc1cc(NCc2ccc([O-])c(F)c2)nc(C2CC2)n1 ZINC000265555569 190190309 /nfs/dbraw/zinc/19/03/09/190190309.db2.gz HXVSOWWZEKVGSA-UHFFFAOYSA-N -1 3 273.311 3.119 20 0 CGADHM Cc1nc(C2CC2)ccc1C(=O)Nc1ccc([O-])cc1F ZINC000518689682 249285004 /nfs/dbraw/zinc/28/50/04/249285004.db2.gz UHALUIKXDIZPKE-UHFFFAOYSA-N -1 3 286.306 3.364 20 0 CGADHM Cc1ccc(C)c(CN(C)Cc2ccc(C(=O)[O-])o2)c1 ZINC000574092654 377619495 /nfs/dbraw/zinc/61/94/95/377619495.db2.gz FNWDTCHRRWQCAC-UHFFFAOYSA-N -1 3 273.332 3.227 20 0 CGADHM C[C@H]1CCN(Cc2ccc(F)cc2C(=O)[O-])C[C@H]1C ZINC000253074785 377671359 /nfs/dbraw/zinc/67/13/59/377671359.db2.gz PVYICJDVFCXNQU-WDEREUQCSA-N -1 3 265.328 3.002 20 0 CGADHM O=C([O-])c1occc1CN1CCC[C@@H]1c1ccsc1 ZINC000575188049 377759650 /nfs/dbraw/zinc/75/96/50/377759650.db2.gz HVNCILOWORTDFD-GFCCVEGCSA-N -1 3 277.345 3.376 20 0 CGADHM CC(C)c1cnc(NC(=O)/C=C\c2cncc([O-])c2)s1 ZINC000255539929 377764860 /nfs/dbraw/zinc/76/48/60/377764860.db2.gz QOSFKJAAZNPWFV-ARJAWSKDSA-N -1 3 289.360 3.019 20 0 CGADHM Cc1cccc(C(=O)N[C@@H]2CCc3ccc(F)cc32)c1[O-] ZINC000261423310 377812055 /nfs/dbraw/zinc/81/20/55/377812055.db2.gz BUMDLOKGDVHLBA-OAHLLOKOSA-N -1 3 285.318 3.257 20 0 CGADHM Cc1nc2ccccc2c(N2CC[C@H](C)[C@H](C(=O)[O-])C2)c1C ZINC000575311379 377878062 /nfs/dbraw/zinc/87/80/62/377878062.db2.gz COKIMBRIQRUDIF-XHDPSFHLSA-N -1 3 298.386 3.399 20 0 CGADHM COc1ccc(CN(C)Cc2ccc(C(=O)[O-])cc2)cc1C ZINC000262391580 377896993 /nfs/dbraw/zinc/89/69/93/377896993.db2.gz ZVYKGTZYSJCCTB-UHFFFAOYSA-N -1 3 299.370 3.334 20 0 CGADHM CC[C@@H](NCc1ccc(C(=O)[O-])cc1)c1ccncc1 ZINC000263392182 377930782 /nfs/dbraw/zinc/93/07/82/377930782.db2.gz FNSZHBRDWRCUOW-OAHLLOKOSA-N -1 3 270.332 3.021 20 0 CGADHM CC[C@H](NCc1ccc(C(=O)[O-])cc1)c1ccncc1 ZINC000263392181 377931126 /nfs/dbraw/zinc/93/11/26/377931126.db2.gz FNSZHBRDWRCUOW-HNNXBMFYSA-N -1 3 270.332 3.021 20 0 CGADHM CCCc1ccc2nccc(N3CC[C@@H](C(=O)[O-])C3)c2c1 ZINC000263501181 377943348 /nfs/dbraw/zinc/94/33/48/377943348.db2.gz KVAOLKCTCBXRBH-CYBMUJFWSA-N -1 3 284.359 3.098 20 0 CGADHM CCCc1ccc2nccc(NCCC(=O)[O-])c2c1 ZINC000263521023 377944499 /nfs/dbraw/zinc/94/44/99/377944499.db2.gz QYYDYFUVRMXZSH-UHFFFAOYSA-N -1 3 258.321 3.074 20 0 CGADHM Cc1c(C(=O)NCc2ccc([O-])c(F)c2)ccn1C(C)C ZINC000343143935 377913181 /nfs/dbraw/zinc/91/31/81/377913181.db2.gz SCVUGYJQQPYQGB-UHFFFAOYSA-N -1 3 290.338 3.152 20 0 CGADHM COc1ccccc1[C@@H](C)CC(=O)[N-]OCc1ccccc1 ZINC000264206934 377964496 /nfs/dbraw/zinc/96/44/96/377964496.db2.gz TWXCMKIFLMADPD-AWEZNQCLSA-N -1 3 299.370 3.437 20 0 CGADHM Cc1cccc(C(=O)N2CC[C@H](c3ccccc3F)C2)c1[O-] ZINC000264341227 377978175 /nfs/dbraw/zinc/97/81/75/377978175.db2.gz AZFHHIAURMEFHF-ZDUSSCGKSA-N -1 3 299.345 3.469 20 0 CGADHM O=C([O-])c1cnccc1N1CCC[C@@]2(CC=CCC2)C1 ZINC000575804919 377991786 /nfs/dbraw/zinc/99/17/86/377991786.db2.gz FKHDFYDOSKTEST-INIZCTEOSA-N -1 3 272.348 3.107 20 0 CGADHM CCC[C@H](CC)S(=O)(=O)[N-]c1cccc2ccn(C)c21 ZINC000578239963 378049840 /nfs/dbraw/zinc/04/98/40/378049840.db2.gz ASCFRKAZLHWHBI-ZDUSSCGKSA-N -1 3 294.420 3.499 20 0 CGADHM CCSc1cccc(CNC(=O)c2cccc([O-])c2)c1 ZINC000343657829 378056024 /nfs/dbraw/zinc/05/60/24/378056024.db2.gz XGTZKNBJHLMJFB-UHFFFAOYSA-N -1 3 287.384 3.434 20 0 CGADHM COc1ccc(Cl)c(CN2CC[C@H](C)C[C@H]2C(=O)[O-])c1 ZINC000578369388 378063354 /nfs/dbraw/zinc/06/33/54/378063354.db2.gz IKVWMYKRMVAKCU-HZMBPMFUSA-N -1 3 297.782 3.034 20 0 CGADHM CCS[C@H]1CC[C@H](N(C)Cc2cc(C(=O)[O-])c(C)o2)C1 ZINC000579484556 378165777 /nfs/dbraw/zinc/16/57/77/378165777.db2.gz PTKYOQPMYVUNCL-AAEUAGOBSA-N -1 3 297.420 3.392 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2cnc(-c3ccccc3)nc2)n1 ZINC000579510740 378168976 /nfs/dbraw/zinc/16/89/76/378168976.db2.gz ZMLOKLHGJAYDGI-BQYQJAHWSA-N -1 3 290.326 3.118 20 0 CGADHM CCCc1ccc(CN2CCSC[C@@H]2CC(=O)[O-])cc1 ZINC000580336496 378243515 /nfs/dbraw/zinc/24/35/15/378243515.db2.gz QBRBVUMIZAEIBS-HNNXBMFYSA-N -1 3 293.432 3.031 20 0 CGADHM CCC[C@@H](C)C[C@H](NCc1cccc(F)c1F)C(=O)[O-] ZINC000580388348 378246395 /nfs/dbraw/zinc/24/63/95/378246395.db2.gz UXBPOKWPXHOEGP-MFKMUULPSA-N -1 3 285.334 3.334 20 0 CGADHM CC(C)CO[N-]C(=O)Nc1ccc(OC2CCCC2)nc1 ZINC000269686881 378254394 /nfs/dbraw/zinc/25/43/94/378254394.db2.gz MNAXPZAWDRMACZ-UHFFFAOYSA-N -1 3 293.367 3.112 20 0 CGADHM CC1(C)CCC(NC(=O)c2c[n-]nc2-c2ccccn2)CC1 ZINC000583965724 378362600 /nfs/dbraw/zinc/36/26/00/378362600.db2.gz SRKRJNQJOSRKIH-UHFFFAOYSA-N -1 3 298.390 3.170 20 0 CGADHM CC(C)=CCC[C@H](C)CC(=O)NCc1ncccc1[O-] ZINC000583324157 378322379 /nfs/dbraw/zinc/32/23/79/378322379.db2.gz NYQBMJKBIVRPBJ-ZDUSSCGKSA-N -1 3 276.380 3.176 20 0 CGADHM CC(C)=CCC[C@@H](C)CC(=O)NCc1ncccc1[O-] ZINC000583324156 378322825 /nfs/dbraw/zinc/32/28/25/378322825.db2.gz NYQBMJKBIVRPBJ-CYBMUJFWSA-N -1 3 276.380 3.176 20 0 CGADHM C[C@@H]1CCN(Cc2ccc(C(=O)[O-])cc2F)CC1(C)C ZINC000583877459 378355846 /nfs/dbraw/zinc/35/58/46/378355846.db2.gz LDFFPLDDLQEWJO-LLVKDONJSA-N -1 3 279.355 3.392 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2cc(Cl)ccc2F)n1 ZINC000345931112 378411557 /nfs/dbraw/zinc/41/15/57/378411557.db2.gz GPMAFFWOOALBAO-UHFFFAOYSA-N -1 3 280.686 3.140 20 0 CGADHM CCCN(CCc1ccccn1)C(=O)c1cc(C)ccc1[O-] ZINC000270606140 378375009 /nfs/dbraw/zinc/37/50/09/378375009.db2.gz POKSQMGMELQWIP-UHFFFAOYSA-N -1 3 298.386 3.191 20 0 CGADHM O=C([O-])[C@@H](c1ccc(F)cc1)N1CCc2ccsc2C1 ZINC000584474702 378388612 /nfs/dbraw/zinc/38/86/12/378388612.db2.gz FAHLDAPSSGUVDH-CQSZACIVSA-N -1 3 291.347 3.071 20 0 CGADHM Cc1ccc([O-])c(CN2C[C@H](C)O[C@@H](c3ccccc3)C2)n1 ZINC000271161220 378467234 /nfs/dbraw/zinc/46/72/34/378467234.db2.gz XWUDREJNFFJSCG-KBXCAEBGSA-N -1 3 298.386 3.058 20 0 CGADHM CCc1cc(=O)[n-]c(CN[C@@H](c2ccccc2C)C2CC2)n1 ZINC000271997854 378540999 /nfs/dbraw/zinc/54/09/99/378540999.db2.gz HOYGKKCRVZSHQK-GOSISDBHSA-N -1 3 297.402 3.294 20 0 CGADHM O=C(CCCc1ccc([O-])c(F)c1)N1CC2(C1)CCCC2 ZINC000346332903 378546616 /nfs/dbraw/zinc/54/66/16/378546616.db2.gz NJSXOXLQADDMRS-UHFFFAOYSA-N -1 3 291.366 3.257 20 0 CGADHM Cc1ccc(C(=O)N2CC3(C2)CCCCC3)c([O-])c1 ZINC000272791743 378704854 /nfs/dbraw/zinc/70/48/54/378704854.db2.gz WXQBDJHMGZZPHE-UHFFFAOYSA-N -1 3 259.349 3.107 20 0 CGADHM CSc1ccc(Cl)cc1[N-]C(=O)c1nccc(C)n1 ZINC000348159114 378817506 /nfs/dbraw/zinc/81/75/06/378817506.db2.gz NZGXSSIAEXYKHV-UHFFFAOYSA-N -1 3 293.779 3.413 20 0 CGADHM Cc1cc(C(=O)N[C@@H]2CCCO[C@H]2CC(C)C)ccc1[O-] ZINC000274855863 378906995 /nfs/dbraw/zinc/90/69/95/378906995.db2.gz QKFJGLQHWUKQAG-ZBFHGGJFSA-N -1 3 291.391 3.024 20 0 CGADHM COC(=O)c1ccc(C(=O)Nc2ccc(C3CC3)c(C)c2)[n-]1 ZINC000347188480 218149918 /nfs/dbraw/zinc/14/99/18/218149918.db2.gz PQIMBFJVIXJCFD-UHFFFAOYSA-N -1 3 298.342 3.239 20 0 CGADHM C[C@@H](c1ccc(C(=O)[O-])o1)N1CC[C@H](C)C(C)(C)C1 ZINC000568065909 322191694 /nfs/dbraw/zinc/19/16/94/322191694.db2.gz KQCKAKWZUUSETN-QWRGUYRKSA-N -1 3 265.353 3.407 20 0 CGADHM Cc1cccc(Cl)c1CN(C[C@@H](C)C(=O)[O-])C1CC1 ZINC000568073573 322192020 /nfs/dbraw/zinc/19/20/20/322192020.db2.gz FTWFJDBVMBIVLP-LLVKDONJSA-N -1 3 281.783 3.334 20 0 CGADHM CC(C)[C@@H](c1ccccc1)N(C)C(=O)c1csc(=O)[n-]1 ZINC000348900768 379104716 /nfs/dbraw/zinc/10/47/16/379104716.db2.gz MUWOHSGIBHLTRH-ZDUSSCGKSA-N -1 3 290.388 3.318 20 0 CGADHM CCC1CCC(N(C(=O)c2csc(=O)[n-]2)C2CC2)CC1 ZINC000348909931 379109374 /nfs/dbraw/zinc/10/93/74/379109374.db2.gz KBMCCODNKFUGDN-UHFFFAOYSA-N -1 3 294.420 3.422 20 0 CGADHM COc1ccc(CN[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])cc1 ZINC000277303185 379124918 /nfs/dbraw/zinc/12/49/18/379124918.db2.gz MYDTZNSZSJKSJH-CXAGYDPISA-N -1 3 299.370 3.247 20 0 CGADHM COc1ccccc1CN[C@H](C(=O)[O-])c1cccc(C)c1C ZINC000277280988 379117925 /nfs/dbraw/zinc/11/79/25/379117925.db2.gz LXZYPYZLBLTFMH-KRWDZBQOSA-N -1 3 299.370 3.228 20 0 CGADHM COc1cccc([C@@H](CC(=O)[O-])NCc2cccc(C)c2)c1 ZINC000277431379 379157807 /nfs/dbraw/zinc/15/78/07/379157807.db2.gz UBOCSKQNNADFMQ-QGZVFWFLSA-N -1 3 299.370 3.309 20 0 CGADHM C[C@@H](C(=O)[O-])[C@H](NCc1cccs1)c1ccccc1 ZINC000277420084 379156287 /nfs/dbraw/zinc/15/62/87/379156287.db2.gz SWUYUDNMICTQMZ-RISCZKNCSA-N -1 3 275.373 3.300 20 0 CGADHM CCOc1cc(-c2noc(C3CC=CC3)n2)ccc1[O-] ZINC000277815816 379241609 /nfs/dbraw/zinc/24/16/09/379241609.db2.gz GYJKOOSUYHHPKD-UHFFFAOYSA-N -1 3 272.304 3.275 20 0 CGADHM O=C(Nc1ccccc1Cl)c1c[n-]nc1-c1ccncc1 ZINC000349355643 379245604 /nfs/dbraw/zinc/24/56/04/379245604.db2.gz OQVWEMNYYBHXLP-UHFFFAOYSA-N -1 3 298.733 3.377 20 0 CGADHM O=C(Nc1ccccc1Cl)c1cn[n-]c1-c1ccncc1 ZINC000349355643 379245610 /nfs/dbraw/zinc/24/56/10/379245610.db2.gz OQVWEMNYYBHXLP-UHFFFAOYSA-N -1 3 298.733 3.377 20 0 CGADHM Cc1ccccc1[C@H]1C[C@H](NC(=O)c2cccc([O-])c2)C1 ZINC000374160205 379387205 /nfs/dbraw/zinc/38/72/05/379387205.db2.gz HQJVOYSVVMGETR-SHTZXODSSA-N -1 3 281.355 3.377 20 0 CGADHM COC[C@@H](NCc1cc([O-])cc(F)c1)c1ccc(F)cc1 ZINC000349694130 379346853 /nfs/dbraw/zinc/34/68/53/379346853.db2.gz BFOVFLQPMFVSRD-MRXNPFEDSA-N -1 3 293.313 3.148 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCC[C@@H]2c2ccsc2)n1 ZINC000279411760 379428871 /nfs/dbraw/zinc/42/88/71/379428871.db2.gz JOAGALLALGLZSB-DGCLKSJQSA-N -1 3 289.404 3.450 20 0 CGADHM Cc1cc(C(=O)N2CC[C@]3(CC[C@@H](C)C3)C2)ccc1[O-] ZINC000436722719 291732959 /nfs/dbraw/zinc/73/29/59/291732959.db2.gz OXTVZVLPJYTFQS-PXAZEXFGSA-N -1 3 273.376 3.353 20 0 CGADHM CC[C@H]1CCN(C(=O)c2cc([O-])ccc2C(F)(F)F)C1 ZINC000279949241 379561786 /nfs/dbraw/zinc/56/17/86/379561786.db2.gz OWXYBYJHENGOPX-VIFPVBQESA-N -1 3 287.281 3.283 20 0 CGADHM COC1CCC(Cc2noc(-c3ccccc3[O-])n2)CC1 ZINC000350585045 379567372 /nfs/dbraw/zinc/56/73/72/379567372.db2.gz TWCMFBGELCDUIK-UHFFFAOYSA-N -1 3 288.347 3.190 20 0 CGADHM Cc1ccc2ncc(-c3noc(-c4ccccc4[O-])n3)n2c1 ZINC000350600800 379570979 /nfs/dbraw/zinc/57/09/79/379570979.db2.gz DLIDHMAWUZOJCV-UHFFFAOYSA-N -1 3 292.298 3.065 20 0 CGADHM CCOc1cc(-c2noc([C@@H](OC)C(C)C)n2)ccc1[O-] ZINC000350614359 379576592 /nfs/dbraw/zinc/57/65/92/379576592.db2.gz SLWBWUYSOFEHSP-ZDUSSCGKSA-N -1 3 292.335 3.184 20 0 CGADHM CC(C)(C)CCS(=O)(=O)[N-]c1cccc2[nH]ccc21 ZINC000267163864 190307852 /nfs/dbraw/zinc/30/78/52/190307852.db2.gz RVTFUPMBGAGURW-UHFFFAOYSA-N -1 3 280.393 3.346 20 0 CGADHM CCC[C@H](OC)c1noc(-c2cc(-c3ccco3)n[n-]2)n1 ZINC000351128293 379654699 /nfs/dbraw/zinc/65/46/99/379654699.db2.gz DBHWFVJBHZFIQI-LBPRGKRZSA-N -1 3 288.307 3.207 20 0 CGADHM CCC[C@H](OC)c1noc(-c2cc(-c3ccco3)[n-]n2)n1 ZINC000351128293 379654707 /nfs/dbraw/zinc/65/47/07/379654707.db2.gz DBHWFVJBHZFIQI-LBPRGKRZSA-N -1 3 288.307 3.207 20 0 CGADHM Cc1ccsc1[C@H]1C[C@@H]1C(=O)Nc1cccc2n[n-]nc21 ZINC000640380438 379780888 /nfs/dbraw/zinc/78/08/88/379780888.db2.gz RWCYJJRDLKUBCL-UWVGGRQHSA-N -1 3 298.371 3.070 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CC=C(c3ccccc3)C2)c1 ZINC000378511548 379837006 /nfs/dbraw/zinc/83/70/06/379837006.db2.gz BCQRXQXAQDXXTM-UHFFFAOYSA-N -1 3 279.339 3.240 20 0 CGADHM CC(C)[C@H]1OCCC[C@@H]1CNCc1c(F)ccc([O-])c1F ZINC000352643605 379888554 /nfs/dbraw/zinc/88/85/54/379888554.db2.gz NAAXWCGSJJICKH-BDJLRTHQSA-N -1 3 299.361 3.211 20 0 CGADHM C[C@@H]1CCN1C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000641245214 379977966 /nfs/dbraw/zinc/97/79/66/379977966.db2.gz YCKCKCVJEQWPPW-CYBMUJFWSA-N -1 3 281.355 3.217 20 0 CGADHM Cc1ccc(NC(=O)C(C)(C)C(C)(F)F)c([O-])c1 ZINC000406001725 379986021 /nfs/dbraw/zinc/98/60/21/379986021.db2.gz VOYNKTHRUYSIJV-UHFFFAOYSA-N -1 3 257.280 3.321 20 0 CGADHM CC(C)c1nnc(C(=O)[N-]c2nc(C3CC3)cs2)s1 ZINC000283004347 380023417 /nfs/dbraw/zinc/02/34/17/380023417.db2.gz KVMSUCYRVVNRDU-UHFFFAOYSA-N -1 3 294.405 3.248 20 0 CGADHM CCN(Cc1ccc(C)cc1)C(=O)c1cccc(OC)c1[O-] ZINC000642060855 380135390 /nfs/dbraw/zinc/13/53/90/380135390.db2.gz WGAVSLJWFQMDGI-UHFFFAOYSA-N -1 3 299.370 3.372 20 0 CGADHM CC[C@H]1CC[C@H](c2nc(-c3ccc([O-])c(OC)c3)no2)O1 ZINC000268070926 190374664 /nfs/dbraw/zinc/37/46/64/190374664.db2.gz JXOSEQZVNNZQAD-CMPLNLGQSA-N -1 3 290.319 3.081 20 0 CGADHM CCN(Cc1cc(=O)oc2cc([O-])c(Cl)cc12)C1CC1 ZINC000285061450 380143111 /nfs/dbraw/zinc/14/31/11/380143111.db2.gz ORCNEODIRAIJFK-UHFFFAOYSA-N -1 3 293.750 3.136 20 0 CGADHM Cc1cc(OCCCOc2ccccc2)cc2occ([O-])c21 ZINC000642609615 380179654 /nfs/dbraw/zinc/17/96/54/380179654.db2.gz WPMJBVZMCYYOCA-UHFFFAOYSA-N -1 3 298.338 3.418 20 0 CGADHM CC[C@@H]1CCC[C@H]1NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000268381719 190398288 /nfs/dbraw/zinc/39/82/88/190398288.db2.gz OCHJUBCARVOONU-DGCLKSJQSA-N -1 3 284.359 3.249 20 0 CGADHM O=C([O-])c1cc(CN2CCS[C@H]3CCCC[C@@H]32)cs1 ZINC000514943311 304223944 /nfs/dbraw/zinc/22/39/44/304223944.db2.gz ARYNZUDUUOFUMP-RYUDHWBXSA-N -1 3 297.445 3.306 20 0 CGADHM C[C@@H]1CC(C)(C)CN1Cc1c(F)ccc([O-])c1F ZINC000414519339 380292461 /nfs/dbraw/zinc/29/24/61/380292461.db2.gz AXSHVIAOMDLRTG-SECBINFHSA-N -1 3 255.308 3.291 20 0 CGADHM Cc1cc(C)c(-c2cc(=NC(=O)[C@@H]3CC34CC4)[nH][n-]2)cc1C ZINC000643369642 380299825 /nfs/dbraw/zinc/29/98/25/380299825.db2.gz HHNMHZCYFULMQM-AWEZNQCLSA-N -1 3 295.386 3.162 20 0 CGADHM Cc1ccc(C(=O)N2CCC[C@@H]2c2cccnc2)c([O-])c1 ZINC000334699445 206933073 /nfs/dbraw/zinc/93/30/73/206933073.db2.gz IQFYUFWDEHSPFG-OAHLLOKOSA-N -1 3 282.343 3.073 20 0 CGADHM C[C@H]1C[C@H]1c1ccc(CNCCCCCC(=O)[O-])o1 ZINC000414685070 380373147 /nfs/dbraw/zinc/37/31/47/380373147.db2.gz RWNNDKCKXVRZTM-WCQYABFASA-N -1 3 265.353 3.138 20 0 CGADHM CC(C)C[C@@H](N)c1noc(Cc2ccc([O-])cc2Cl)n1 ZINC000414621183 380339105 /nfs/dbraw/zinc/33/91/05/380339105.db2.gz RDDNZKHZZWMSOH-GFCCVEGCSA-N -1 3 295.770 3.065 20 0 CGADHM C[C@@H](CC(=O)[O-])NCc1ccc(Oc2ccccc2)o1 ZINC000414639316 380349236 /nfs/dbraw/zinc/34/92/36/380349236.db2.gz PTLIRTBNGQUBRU-NSHDSACASA-N -1 3 275.304 3.025 20 0 CGADHM CCc1cc(C(=O)NC[C@@H]2Cc3ccccc32)ccc1[O-] ZINC000643952660 380399109 /nfs/dbraw/zinc/39/91/09/380399109.db2.gz OSNLYYMKJITKIE-HNNXBMFYSA-N -1 3 281.355 3.024 20 0 CGADHM CCc1cc(C(=O)Nc2ccc(C)c3c[nH]nc32)ccc1[O-] ZINC000643967466 380402114 /nfs/dbraw/zinc/40/21/14/380402114.db2.gz PNTRFVGNXZMQRS-UHFFFAOYSA-N -1 3 295.342 3.392 20 0 CGADHM CCc1cc(C(=O)Nc2cc(CO)c(C)cc2C)ccc1[O-] ZINC000644078534 380413858 /nfs/dbraw/zinc/41/38/58/380413858.db2.gz UKRXKGCMJPZCPJ-UHFFFAOYSA-N -1 3 299.370 3.316 20 0 CGADHM Cc1cc(C(=O)N(CC(F)F)CC2CCC2)ccc1[O-] ZINC000354667273 380522278 /nfs/dbraw/zinc/52/22/78/380522278.db2.gz WNVGIRHXERYFIX-UHFFFAOYSA-N -1 3 283.318 3.208 20 0 CGADHM CC(C)C[C@H](CNCc1csc(C2CC2)n1)CC(=O)[O-] ZINC000417547642 380635164 /nfs/dbraw/zinc/63/51/64/380635164.db2.gz OUKVWNDSUZYBQW-NSHDSACASA-N -1 3 296.436 3.247 20 0 CGADHM CCOc1c(Cl)cccc1CN[C@@H](C)CCCC(=O)[O-] ZINC000417555124 380636352 /nfs/dbraw/zinc/63/63/52/380636352.db2.gz DTIWRVNHWIPTQG-NSHDSACASA-N -1 3 299.798 3.472 20 0 CGADHM CCC[C@H](C)C[C@H](NCc1cc(OC)ccc1F)C(=O)[O-] ZINC000417563728 380639730 /nfs/dbraw/zinc/63/97/30/380639730.db2.gz NUTZZIQTFJAGGF-NHYWBVRUSA-N -1 3 297.370 3.203 20 0 CGADHM O=C([O-])[C@H](CC1CCC1)NCc1c(F)cccc1Cl ZINC000417713896 380670317 /nfs/dbraw/zinc/67/03/17/380670317.db2.gz YXULRHARZPVZNB-ZDUSSCGKSA-N -1 3 285.746 3.212 20 0 CGADHM C[C@H](CCC(=O)[O-])NCc1cc(C(F)(F)F)ccc1F ZINC000417610388 380649791 /nfs/dbraw/zinc/64/97/91/380649791.db2.gz MDCVJPYTIXGWOV-MRVPVSSYSA-N -1 3 293.260 3.187 20 0 CGADHM CCc1oc2ccccc2c1CN[C@@H]1C=C[C@@H](C(=O)[O-])C1 ZINC000417616389 380653446 /nfs/dbraw/zinc/65/34/46/380653446.db2.gz HKIYLNFNGVYYEZ-VXGBXAGGSA-N -1 3 285.343 3.114 20 0 CGADHM CC(C)=CCSC[C@@H](NCc1sccc1C)C(=O)[O-] ZINC000417629671 380657933 /nfs/dbraw/zinc/65/79/33/380657933.db2.gz SOLSHQJHXMFCFI-GFCCVEGCSA-N -1 3 299.461 3.299 20 0 CGADHM O=C(c1ccc([O-])cc1)C1CCN(CC2=CCCC2)CC1 ZINC000645818295 380741150 /nfs/dbraw/zinc/74/11/50/380741150.db2.gz XSVVCTZDWOKZOH-UHFFFAOYSA-N -1 3 285.387 3.397 20 0 CGADHM CC[C@@H]1CC[C@H](C)N(C(=O)c2c[n-]c3ccccc3c2=O)C1 ZINC000334760588 207030340 /nfs/dbraw/zinc/03/03/40/207030340.db2.gz FHYXXODVQCKTSZ-QWHCGFSZSA-N -1 3 298.386 3.179 20 0 CGADHM Cc1ccc([O-])c(CN2CCc3ccc(Cl)cc32)n1 ZINC000356949567 380951793 /nfs/dbraw/zinc/95/17/93/380951793.db2.gz SWRCDNSCBQPAFS-UHFFFAOYSA-N -1 3 274.751 3.312 20 0 CGADHM Cc1ccc([O-])c(C(=O)N[C@@H]2CCCc3c(O)cccc32)c1 ZINC000360344853 381522351 /nfs/dbraw/zinc/52/23/51/381522351.db2.gz JDKDBSFWPXLNTN-OAHLLOKOSA-N -1 3 297.354 3.214 20 0 CGADHM O=C(c1ccc(O)cc1[O-])N1CCC[C@@H](c2ccccc2)C1 ZINC000334851024 207183854 /nfs/dbraw/zinc/18/38/54/207183854.db2.gz KINOCIKWQZOQHR-CQSZACIVSA-N -1 3 297.354 3.118 20 0 CGADHM O=C(Nc1nnc(-c2cc3ccccc3o2)[n-]1)C1CC=CC1 ZINC000362243525 381917044 /nfs/dbraw/zinc/91/70/44/381917044.db2.gz ACWVSUNGIJFMBG-UHFFFAOYSA-N -1 3 294.314 3.123 20 0 CGADHM O=C(Nc1nc(-c2cc3ccccc3o2)n[n-]1)C1CC=CC1 ZINC000362243525 381917050 /nfs/dbraw/zinc/91/70/50/381917050.db2.gz ACWVSUNGIJFMBG-UHFFFAOYSA-N -1 3 294.314 3.123 20 0 CGADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)C1CC=CC1 ZINC000362243525 381917058 /nfs/dbraw/zinc/91/70/58/381917058.db2.gz ACWVSUNGIJFMBG-UHFFFAOYSA-N -1 3 294.314 3.123 20 0 CGADHM COc1cc(F)c([N-]C(=O)c2ccc(C(C)=O)o2)cc1F ZINC000362743182 382112254 /nfs/dbraw/zinc/11/22/54/382112254.db2.gz VPCWCHVURZVJNB-UHFFFAOYSA-N -1 3 295.241 3.021 20 0 CGADHM CCc1cc(C(=O)N2CCC(C)(C)CC2)ccc1[O-] ZINC000362751258 382113910 /nfs/dbraw/zinc/11/39/10/382113910.db2.gz DTXOMEMLHLHKTC-UHFFFAOYSA-N -1 3 261.365 3.217 20 0 CGADHM CCc1cc(C(=O)N2C[C@@H](C)CC[C@@H]2C)ccc1[O-] ZINC000362866750 382133193 /nfs/dbraw/zinc/13/31/93/382133193.db2.gz HASWHFPFCDVDFT-RYUDHWBXSA-N -1 3 261.365 3.215 20 0 CGADHM CCc1cc(C(=O)N(C)CCc2cccs2)ccc1[O-] ZINC000362891047 382139735 /nfs/dbraw/zinc/13/97/35/382139735.db2.gz IDMZYUXLXVEKDP-UHFFFAOYSA-N -1 3 289.400 3.331 20 0 CGADHM C=CCCCCCN1CCc2c(cccc2C(=O)[O-])C1 ZINC000236472118 542314686 /nfs/dbraw/zinc/31/46/86/542314686.db2.gz HTAUKFZXPBERRM-UHFFFAOYSA-N -1 3 273.376 3.489 20 0 CGADHM C[C@@H]1CCC[C@@H](C)N1Cc1ccc(C(=O)[O-])c(F)c1 ZINC000235349651 542311374 /nfs/dbraw/zinc/31/13/74/542311374.db2.gz JTYJDYYIPZXKJU-GHMZBOCLSA-N -1 3 265.328 3.287 20 0 CGADHM Cc1cc(C)c2[n-]cc(C(=O)N3C[C@H](C)[C@@H]3C)c(=O)c2c1 ZINC000295583210 291838755 /nfs/dbraw/zinc/83/87/55/291838755.db2.gz LSNCBLOTIIWDIX-RYUDHWBXSA-N -1 3 284.359 3.038 20 0 CGADHM [O-]c1ccc(-c2noc([C@H]3CCC[C@H](F)C3)n2)cc1 ZINC000335279152 208088534 /nfs/dbraw/zinc/08/85/34/208088534.db2.gz YAKMJGNTFZHYQD-QWRGUYRKSA-N -1 3 262.284 3.438 20 0 CGADHM O=C(N[C@@H]1CCCSC1)c1cc([O-])c2ccccc2c1 ZINC000280357725 542380936 /nfs/dbraw/zinc/38/09/36/542380936.db2.gz KZCRQWISQJEBOK-CYBMUJFWSA-N -1 3 287.384 3.171 20 0 CGADHM COc1ccncc1NCc1cc([O-])cc(C(F)(F)F)c1 ZINC000352797617 533091150 /nfs/dbraw/zinc/09/11/50/533091150.db2.gz MDWLVMVYNAJLEZ-UHFFFAOYSA-N -1 3 298.264 3.427 20 0 CGADHM COCCCO[N-]C(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000288115557 197008265 /nfs/dbraw/zinc/00/82/65/197008265.db2.gz LTOZWVSVENFHFW-IRXDYDNUSA-N -1 3 299.370 3.028 20 0 CGADHM CCC1(NC(=O)c2cc([O-])c3ccccc3c2)CC1 ZINC000296035586 542407822 /nfs/dbraw/zinc/40/78/22/542407822.db2.gz YBTJLXOONQNCBE-UHFFFAOYSA-N -1 3 255.317 3.218 20 0 CGADHM CCOc1cc(-c2noc(Cc3ccco3)n2)ccc1[O-] ZINC000350797496 542536017 /nfs/dbraw/zinc/53/60/17/542536017.db2.gz YGMXAXRLEXCGGR-UHFFFAOYSA-N -1 3 286.287 3.025 20 0 CGADHM Cc1cccc([O-])c1NC(=O)/C=C/c1ccccc1 ZINC000179545923 260053988 /nfs/dbraw/zinc/05/39/88/260053988.db2.gz LPBMSLHLIZTQPW-ZHACJKMWSA-N -1 3 253.301 3.353 20 0 CGADHM O=C(/C=C/c1ccc(Cl)nc1)Nc1cc(F)ccc1[O-] ZINC000179652472 260061527 /nfs/dbraw/zinc/06/15/27/260061527.db2.gz KDJCUTQAINVEGM-QHHAFSJGSA-N -1 3 292.697 3.232 20 0 CGADHM CC(C)(CC(=O)Nc1cc(F)ccc1[O-])C(F)(F)F ZINC000281550357 195285050 /nfs/dbraw/zinc/28/50/50/195285050.db2.gz SYOFVIWWLGDOAA-UHFFFAOYSA-N -1 3 279.233 3.448 20 0 CGADHM CSCCON=C([O-])Nc1cc(C)c(Cl)c(C)c1 ZINC000282971937 195758905 /nfs/dbraw/zinc/75/89/05/195758905.db2.gz JIEULCCDPYVVPW-UHFFFAOYSA-N -1 3 288.800 3.373 20 0 CGADHM CSCCO[N-]C(=O)Nc1cc(C)c(Cl)c(C)c1 ZINC000282971937 195758907 /nfs/dbraw/zinc/75/89/07/195758907.db2.gz JIEULCCDPYVVPW-UHFFFAOYSA-N -1 3 288.800 3.373 20 0 CGADHM COc1ncccc1-c1noc(-c2ccc(C)c(C)c2[O-])n1 ZINC000436918958 533246960 /nfs/dbraw/zinc/24/69/60/533246960.db2.gz LKIFGANHXZZBQY-UHFFFAOYSA-N -1 3 297.314 3.130 20 0 CGADHM CO[C@](C)(c1noc(-c2cc(C)ccc2[O-])n1)C1CC1 ZINC000436956397 533358034 /nfs/dbraw/zinc/35/80/34/533358034.db2.gz QYSRDZZDCNTELD-HNNXBMFYSA-N -1 3 274.320 3.022 20 0 CGADHM COc1cccc(C(=O)NC(C)(C)c2cccc(C)c2)c1[O-] ZINC000436927281 533405238 /nfs/dbraw/zinc/40/52/38/533405238.db2.gz QZIHAQNCTXXZLC-UHFFFAOYSA-N -1 3 299.370 3.374 20 0 CGADHM COc1cccc(C(=O)Nc2ccc3ccoc3c2)c1[O-] ZINC000436784187 533419802 /nfs/dbraw/zinc/41/98/02/533419802.db2.gz OZLDHJZJELTBFU-UHFFFAOYSA-N -1 3 283.283 3.399 20 0 CGADHM C[C@@H](CC(C)(C)NCc1ccsc1Cl)C(=O)[O-] ZINC000417640659 533470078 /nfs/dbraw/zinc/47/00/78/533470078.db2.gz ZLZYVWFHESCBRK-QMMMGPOBSA-N -1 3 275.801 3.381 20 0 CGADHM COc1cc(C(=O)N[C@@H]2CCC[C@H]2C(C)(C)C)ccc1[O-] ZINC000413996660 533548035 /nfs/dbraw/zinc/54/80/35/533548035.db2.gz VEMAGIRRGMITOJ-CHWSQXEVSA-N -1 3 291.391 3.345 20 0 CGADHM C[C@@H]1CCCC[C@@H]1CN1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000394873621 542614633 /nfs/dbraw/zinc/61/46/33/542614633.db2.gz BBZXOMBLOVRAQB-CKEIUWERSA-N -1 3 287.403 3.497 20 0 CGADHM Cc1ccc(C(=O)Nc2ccc(F)cc2)c([O-])c1C ZINC000048520102 392003717 /nfs/dbraw/zinc/00/37/17/392003717.db2.gz JJKHWBZEAWYFIT-UHFFFAOYSA-N -1 3 259.280 3.400 20 0 CGADHM CCc1ccccc1NC(=O)c1cc(OC)ccc1[O-] ZINC000051770653 392073076 /nfs/dbraw/zinc/07/30/76/392073076.db2.gz ANHWEYOJHZKHDD-UHFFFAOYSA-N -1 3 271.316 3.216 20 0 CGADHM Cc1cccc(C(=O)Nc2cc(F)cc(F)c2F)c1[O-] ZINC000061120383 392125769 /nfs/dbraw/zinc/12/57/69/392125769.db2.gz FPMGWRAHLGYWAU-UHFFFAOYSA-N -1 3 281.233 3.370 20 0 CGADHM COc1ccc(NC(=O)[C@@H]2[C@H](C)[C@@H]2c2ccccc2)c([O-])c1 ZINC000435831768 542658095 /nfs/dbraw/zinc/65/80/95/542658095.db2.gz VINLWMQETNAUBJ-SSKCKEOISA-N -1 3 297.354 3.389 20 0 CGADHM COc1ccc(NC(=O)C2(CC(C)C)CC2)c([O-])c1 ZINC000442765122 542665975 /nfs/dbraw/zinc/66/59/75/542665975.db2.gz UYFBZEATSOIDKT-UHFFFAOYSA-N -1 3 263.337 3.166 20 0 CGADHM COc1ccc(NC(=O)c2ccc3c(c2)CCC3)c([O-])c1 ZINC000443555483 542666697 /nfs/dbraw/zinc/66/66/97/542666697.db2.gz BSUBBHCFXKHXHV-UHFFFAOYSA-N -1 3 283.327 3.142 20 0 CGADHM C[C@H](NCc1cc(Cl)ccc1OC1CCCC1)C(=O)[O-] ZINC000262066069 131188566 /nfs/dbraw/zinc/18/85/66/131188566.db2.gz RQPNLQATLSWDLV-JTQLQIEISA-N -1 3 297.782 3.224 20 0 CGADHM C[C@@H](NCCCCC(=O)[O-])c1c(F)cccc1Cl ZINC000263563429 131298459 /nfs/dbraw/zinc/29/84/59/131298459.db2.gz DJIJZDDVQNJLOD-SECBINFHSA-N -1 3 273.735 3.385 20 0 CGADHM O=C([O-])[C@H]1CCCN([C@H]2CCc3c2cccc3Cl)C1 ZINC000263581420 131299791 /nfs/dbraw/zinc/29/97/91/131299791.db2.gz XDLRZLILCGYTHZ-HZMBPMFUSA-N -1 3 279.767 3.124 20 0 CGADHM CC(C)O[C@H]1C[C@@H](NC(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000457872867 542690783 /nfs/dbraw/zinc/69/07/83/542690783.db2.gz OGPZWGSMSQKWLD-GASCZTMLSA-N -1 3 299.370 3.231 20 0 CGADHM Cc1noc(C)c1NC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000263882427 131352675 /nfs/dbraw/zinc/35/26/75/131352675.db2.gz UQMIAHPKTUBTCT-UHFFFAOYSA-N -1 3 286.331 3.128 20 0 CGADHM C[C@H]1CCN(C(=O)c2ccsn2)c2c([O-])cccc21 ZINC000295133013 392543924 /nfs/dbraw/zinc/54/39/24/392543924.db2.gz CQPYRIKISZIABF-VIFPVBQESA-N -1 3 274.345 3.003 20 0 CGADHM CCC1(CNC(=O)Cc2ccc([O-])cc2Cl)CCC1 ZINC000158127114 392556927 /nfs/dbraw/zinc/55/69/27/392556927.db2.gz HUWOWQSTCCWEFF-UHFFFAOYSA-N -1 3 281.783 3.285 20 0 CGADHM CC(C)C1(CNC(=O)Cc2ccc([O-])cc2Cl)CC1 ZINC000158205743 392560180 /nfs/dbraw/zinc/56/01/80/392560180.db2.gz TVMXVZDDSTYSKR-UHFFFAOYSA-N -1 3 281.783 3.141 20 0 CGADHM CC[C@@H](C)c1cc(C(=O)[N-]c2cc(Cl)ccn2)on1 ZINC000163172472 392602316 /nfs/dbraw/zinc/60/23/16/392602316.db2.gz MOZLMYYLOCIACY-MRVPVSSYSA-N -1 3 279.727 3.489 20 0 CGADHM Cc1cc(C(=O)N2CC(C3CCCCC3)C2)ccc1[O-] ZINC000647481120 392735182 /nfs/dbraw/zinc/73/51/82/392735182.db2.gz SLMXRGGTCQQDEK-UHFFFAOYSA-N -1 3 273.376 3.353 20 0 CGADHM CC1(NC(=O)Cc2ccc([O-])cc2Cl)CCCCC1 ZINC000182165322 392743027 /nfs/dbraw/zinc/74/30/27/392743027.db2.gz HMYUSTKQPCMDFG-UHFFFAOYSA-N -1 3 281.783 3.427 20 0 CGADHM [O-]c1cc(F)cc(CN2CCC(C3CCOCC3)CC2)c1 ZINC000375229916 392751392 /nfs/dbraw/zinc/75/13/92/392751392.db2.gz PVEVJGYWIADIAJ-UHFFFAOYSA-N -1 3 293.382 3.170 20 0 CGADHM C[C@H]1CCN(C(=O)C2CC=CC2)c2c([O-])cccc21 ZINC000186294434 392782279 /nfs/dbraw/zinc/78/22/79/392782279.db2.gz KXVRXCRVRCOPKS-NSHDSACASA-N -1 3 257.333 3.199 20 0 CGADHM C[C@H]1CCN(C(=O)CCc2ccco2)c2c([O-])cccc21 ZINC000186300391 392783078 /nfs/dbraw/zinc/78/30/78/392783078.db2.gz FPEVBPHWJJJODG-LBPRGKRZSA-N -1 3 285.343 3.458 20 0 CGADHM O=C(C1=CCCCC1)N1CCCc2cccc([O-])c21 ZINC000188673487 392801750 /nfs/dbraw/zinc/80/17/50/392801750.db2.gz KRSOYXODARPPEW-UHFFFAOYSA-N -1 3 257.333 3.172 20 0 CGADHM CC(C)c1ccc(C(=O)N2CC3(CCC3(F)F)C2)c([O-])c1 ZINC000336373278 392850749 /nfs/dbraw/zinc/85/07/49/392850749.db2.gz YCRUOFZKDOHQLZ-UHFFFAOYSA-N -1 3 295.329 3.387 20 0 CGADHM Cc1cc(Cl)cc(CN2CC[C@@H](C(=O)[O-])[C@@H](C)C2)c1 ZINC000395105039 392941354 /nfs/dbraw/zinc/94/13/54/392941354.db2.gz KOSZBPQJRXKYTD-SMDDNHRTSA-N -1 3 281.783 3.191 20 0 CGADHM O=C(N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)c1cccc2nn[n-]c21 ZINC000525865593 392949607 /nfs/dbraw/zinc/94/96/07/392949607.db2.gz YZMPTAALKCWNNX-RWMBFGLXSA-N -1 3 298.390 3.047 20 0 CGADHM O=C(N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)c1cccc2[n-]nnc21 ZINC000525865593 392949616 /nfs/dbraw/zinc/94/96/16/392949616.db2.gz YZMPTAALKCWNNX-RWMBFGLXSA-N -1 3 298.390 3.047 20 0 CGADHM O=C(N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)c1cccc2n[n-]nc21 ZINC000525865593 392949621 /nfs/dbraw/zinc/94/96/21/392949621.db2.gz YZMPTAALKCWNNX-RWMBFGLXSA-N -1 3 298.390 3.047 20 0 CGADHM C[C@@H]1C[C@H](C)CN1C(=O)c1cc([O-])c2ccccc2c1 ZINC000527466496 542742624 /nfs/dbraw/zinc/74/26/24/542742624.db2.gz PMYUPNZBUSAMCB-NWDGAFQWSA-N -1 3 269.344 3.416 20 0 CGADHM COc1ccc(CNCc2cc([O-])cc(F)c2)c(C)c1 ZINC000547435740 542754216 /nfs/dbraw/zinc/75/42/16/542754216.db2.gz VQNRAGYJCPMYNK-UHFFFAOYSA-N -1 3 275.323 3.138 20 0 CGADHM CC(C)C[C@@H](N)C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000196254596 392975686 /nfs/dbraw/zinc/97/56/86/392975686.db2.gz GCIZAKPFLXHLIS-SNVBAGLBSA-N -1 3 291.178 3.011 20 0 CGADHM CCc1cccc(-c2nc(-c3ccc(O)cc3)no2)c1[O-] ZINC000545881691 393012598 /nfs/dbraw/zinc/01/25/98/393012598.db2.gz MOBXCIJQNIJUSG-UHFFFAOYSA-N -1 3 282.299 3.377 20 0 CGADHM CO[C@](C)([C@H](C)NCc1cccc([O-])c1Cl)C1CC1 ZINC000414500519 393048844 /nfs/dbraw/zinc/04/88/44/393048844.db2.gz LVYKFFHGEDWDJP-ZUZCIYMTSA-N -1 3 283.799 3.339 20 0 CGADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCC[C@H]2CCC[C@H]21 ZINC000266204885 393177548 /nfs/dbraw/zinc/17/75/48/393177548.db2.gz IDUJKGPEGJISAO-MLGOLLRUSA-N -1 3 296.370 3.345 20 0 CGADHM CCCCN(C)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000468364262 393139531 /nfs/dbraw/zinc/13/95/31/393139531.db2.gz ZQIUTTMIIJNSJZ-UHFFFAOYSA-N -1 3 267.344 3.113 20 0 CGADHM CCc1cccc(C(=O)N2CCCC[C@@H](C)C2)c1[O-] ZINC000547821665 393151920 /nfs/dbraw/zinc/15/19/20/393151920.db2.gz QKWLICOKEDDFFC-GFCCVEGCSA-N -1 3 261.365 3.217 20 0 CGADHM CC(C)[C@@H]1CCN(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000469216089 393182586 /nfs/dbraw/zinc/18/25/86/393182586.db2.gz JRMJNPKZJFJWIM-CQSZACIVSA-N -1 3 293.382 3.359 20 0 CGADHM Cc1ccc([O-])c(CN2Cc3ccccc3C(C)(C)C2)n1 ZINC000353671054 393229852 /nfs/dbraw/zinc/22/98/52/393229852.db2.gz CCRVRURLJVFXKH-UHFFFAOYSA-N -1 3 282.387 3.389 20 0 CGADHM c1cc(C2CCC2)ccc1CNC1(c2nn[n-]n2)CCCC1 ZINC000646150064 393230483 /nfs/dbraw/zinc/23/04/83/393230483.db2.gz VBJKCPSLERMUGE-UHFFFAOYSA-N -1 3 297.406 3.026 20 0 CGADHM c1cc(C2CCC2)ccc1CNC1(c2nnn[n-]2)CCCC1 ZINC000646150064 393230489 /nfs/dbraw/zinc/23/04/89/393230489.db2.gz VBJKCPSLERMUGE-UHFFFAOYSA-N -1 3 297.406 3.026 20 0 CGADHM CC(C)[C@@H](C)CNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000469377015 393188847 /nfs/dbraw/zinc/18/88/47/393188847.db2.gz LLHZJFPGDWAXAV-LBPRGKRZSA-N -1 3 281.371 3.262 20 0 CGADHM CC[C@@H](NC(=O)c1c[n-]c2ccccc2c1=O)[C@@H]1CC1(C)C ZINC000416270910 393288152 /nfs/dbraw/zinc/28/81/52/393288152.db2.gz AJTMNZVNPQHWNK-UONOGXRCSA-N -1 3 298.386 3.083 20 0 CGADHM CC[C@@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)[C@H]1CC1(C)C ZINC000416280371 393290643 /nfs/dbraw/zinc/29/06/43/393290643.db2.gz XWDSGTMPXYMHCS-CHWSQXEVSA-N -1 3 298.386 3.083 20 0 CGADHM CSc1cccc(NC(=O)c2ccc3[nH][n-]c(=O)c3c2)c1 ZINC000646567796 393302669 /nfs/dbraw/zinc/30/26/69/393302669.db2.gz PKXKQWDXYXCEEI-UHFFFAOYSA-N -1 3 299.355 3.243 20 0 CGADHM COc1ccc(CN[C@@H](C(=O)[O-])c2cccc(C)c2C)cc1 ZINC000277227098 393307011 /nfs/dbraw/zinc/30/70/11/393307011.db2.gz IGXWMLZZPNIOHK-QGZVFWFLSA-N -1 3 299.370 3.228 20 0 CGADHM CC(C)(C)Oc1ccc(CNC(=O)c2cccc([O-])c2)cc1 ZINC000586735817 542769518 /nfs/dbraw/zinc/76/95/18/542769518.db2.gz YAQHXENTPHLZCY-UHFFFAOYSA-N -1 3 299.370 3.500 20 0 CGADHM CC(C)c1ccc(C(=O)NC/C=C\c2cccnc2)c([O-])c1 ZINC000646405547 393279147 /nfs/dbraw/zinc/27/91/47/393279147.db2.gz GSBPBMOTZYDSFA-XQRVVYSFSA-N -1 3 296.370 3.354 20 0 CGADHM CC(C)C[C@@H]1C[C@H]1C(=O)Nc1cccc([O-])c1F ZINC000649337325 393401404 /nfs/dbraw/zinc/40/14/04/393401404.db2.gz SZMFBSLDVMXTRJ-NXEZZACHSA-N -1 3 251.301 3.152 20 0 CGADHM CSCCON=C([O-])Nc1cc(SC)ccc1C ZINC000280775269 393344851 /nfs/dbraw/zinc/34/48/51/393344851.db2.gz HLRJGPKWUODSGC-UHFFFAOYSA-N -1 3 286.422 3.133 20 0 CGADHM CSCCO[N-]C(=O)Nc1cc(SC)ccc1C ZINC000280775269 393344855 /nfs/dbraw/zinc/34/48/55/393344855.db2.gz HLRJGPKWUODSGC-UHFFFAOYSA-N -1 3 286.422 3.133 20 0 CGADHM CC[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000475522078 393406308 /nfs/dbraw/zinc/40/63/08/393406308.db2.gz ATEAOGFUAZDYQL-RISCZKNCSA-N -1 3 299.378 3.022 20 0 CGADHM CC[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000475522078 393406312 /nfs/dbraw/zinc/40/63/12/393406312.db2.gz ATEAOGFUAZDYQL-RISCZKNCSA-N -1 3 299.378 3.022 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)c1cc(Cl)ccc1C ZINC000649230726 393379197 /nfs/dbraw/zinc/37/91/97/393379197.db2.gz UWIIGMSVRUGDBK-UHFFFAOYSA-N -1 3 291.782 3.478 20 0 CGADHM O=C([O-])[C@@H](CNCc1ccc(Cl)cc1F)CC1CC1 ZINC000649512066 393464427 /nfs/dbraw/zinc/46/44/27/393464427.db2.gz YSWJGAOJFDMQTC-LLVKDONJSA-N -1 3 285.746 3.070 20 0 CGADHM CCC1CCN(C(=O)c2cc(SC)ccc2[O-])CC1 ZINC000666859122 542821618 /nfs/dbraw/zinc/82/16/18/542821618.db2.gz GBYQNOCWFYCDJT-UHFFFAOYSA-N -1 3 279.405 3.376 20 0 CGADHM CC[C@H](C)C[C@@H](C)[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000360875576 393603962 /nfs/dbraw/zinc/60/39/62/393603962.db2.gz FXPYMPHKGLHPKV-VHSXEESVSA-N -1 3 291.363 3.068 20 0 CGADHM CC[C@@H](c1ccc(F)cc1F)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000422588440 393640904 /nfs/dbraw/zinc/64/09/04/393640904.db2.gz KSTYQNVHQMNELE-IUPBHXKESA-N -1 3 283.318 3.068 20 0 CGADHM C[C@]1(C(=O)Nc2ccc(Cl)cc2[O-])C[C@H]2C[C@H]2C1 ZINC000490647078 393649639 /nfs/dbraw/zinc/64/96/39/393649639.db2.gz HJPZRKBWCHGNEB-QRJZZWFUSA-N -1 3 265.740 3.420 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCC[C@H](c3ccccc3)C2)n1 ZINC000433074933 393683282 /nfs/dbraw/zinc/68/32/82/393683282.db2.gz XAYVMJIHMAMXAO-ZBFHGGJFSA-N -1 3 297.402 3.431 20 0 CGADHM CCC[C@@H](C(=O)Nc1nnc(-c2ccc(C)o2)[n-]1)C(C)C ZINC000492459311 393738348 /nfs/dbraw/zinc/73/83/48/393738348.db2.gz WJHZLGGQUKXPCB-LLVKDONJSA-N -1 3 290.367 3.384 20 0 CGADHM CCC[C@@H](C(=O)Nc1nc(-c2ccc(C)o2)n[n-]1)C(C)C ZINC000492459311 393738350 /nfs/dbraw/zinc/73/83/50/393738350.db2.gz WJHZLGGQUKXPCB-LLVKDONJSA-N -1 3 290.367 3.384 20 0 CGADHM CCC[C@@H](C(=O)Nc1n[n-]c(-c2ccc(C)o2)n1)C(C)C ZINC000492459311 393738352 /nfs/dbraw/zinc/73/83/52/393738352.db2.gz WJHZLGGQUKXPCB-LLVKDONJSA-N -1 3 290.367 3.384 20 0 CGADHM O=C([N-]c1ccccc1F)c1noc(-c2ccccc2)n1 ZINC000433116052 393688246 /nfs/dbraw/zinc/68/82/46/393688246.db2.gz LGKCZECQBXIVBK-UHFFFAOYSA-N -1 3 283.262 3.128 20 0 CGADHM CC(C)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccco2)CC1 ZINC000445713152 393818427 /nfs/dbraw/zinc/81/84/27/393818427.db2.gz ALCMUMCUTFITEF-STQMWFEESA-N -1 3 285.409 3.163 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000449954718 393951420 /nfs/dbraw/zinc/95/14/20/393951420.db2.gz WELOMXGGXBBPQR-MELADBBJSA-N -1 3 291.366 3.159 20 0 CGADHM CC1(CNC(=O)Cc2ccc([O-])c(F)c2)CCCCC1 ZINC000450102464 393978114 /nfs/dbraw/zinc/97/81/14/393978114.db2.gz GWWUZNUWBCQYDT-UHFFFAOYSA-N -1 3 279.355 3.160 20 0 CGADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@H]1CC1(C)C ZINC000452747822 394111413 /nfs/dbraw/zinc/11/14/13/394111413.db2.gz IXGAWDWKKGZEGR-MRVPVSSYSA-N -1 3 298.180 3.448 20 0 CGADHM C[C@@H]1CCCC[C@@]1(C)NC(=O)Cc1ccc([O-])c(F)c1 ZINC000457287056 394341695 /nfs/dbraw/zinc/34/16/95/394341695.db2.gz NHDNPODCXLVUEW-BDJLRTHQSA-N -1 3 279.355 3.159 20 0 CGADHM Cc1ccc(C(=O)N2CC3(CCC3)[C@@H]2C2CC2)c([O-])c1C ZINC000291866309 292049804 /nfs/dbraw/zinc/04/98/04/292049804.db2.gz GZPZVKUZWIDAJF-INIZCTEOSA-N -1 3 285.387 3.414 20 0 CGADHM Cc1ccc(C(=O)N2C[C@H](C)Oc3ccccc32)c([O-])c1C ZINC000436541507 292069019 /nfs/dbraw/zinc/06/90/19/292069019.db2.gz XXFOFADSMHEDIQ-LBPRGKRZSA-N -1 3 297.354 3.437 20 0 CGADHM CCC[C@@H](C)C[C@H](NCc1cccc(OC)c1F)C(=O)[O-] ZINC000669472316 543108180 /nfs/dbraw/zinc/10/81/80/543108180.db2.gz XHPLSGJOCTWMAY-YPMHNXCESA-N -1 3 297.370 3.203 20 0 CGADHM CCc1coc([N-]C(=O)c2cc(-c3ccccc3)no2)n1 ZINC000670370926 543151559 /nfs/dbraw/zinc/15/15/59/543151559.db2.gz SOJBWYBZJAENPA-UHFFFAOYSA-N -1 3 283.287 3.144 20 0 CGADHM Cc1ccc(NC(=O)C(C)(C)c2ccccn2)c([O-])c1 ZINC000670411949 543152937 /nfs/dbraw/zinc/15/29/37/543152937.db2.gz QRPHQBSNMZXCNX-UHFFFAOYSA-N -1 3 270.332 3.012 20 0 CGADHM CC(C)(C)C1CCN(Cc2ccc(C(=O)[O-])cn2)CC1 ZINC000094762662 397642110 /nfs/dbraw/zinc/64/21/10/397642110.db2.gz PVFPFSMFUMVGPQ-UHFFFAOYSA-N -1 3 276.380 3.038 20 0 CGADHM CC[C@@H](C(=O)[O-])N(C)Cc1cscc1C(F)(F)F ZINC000650805992 397927082 /nfs/dbraw/zinc/92/70/82/397927082.db2.gz NRBAPRPNQYAXEU-VIFPVBQESA-N -1 3 281.299 3.062 20 0 CGADHM O=C(Nc1ccc(Br)cc1[O-])[C@@H]1CC12CCC2 ZINC000675295325 543327052 /nfs/dbraw/zinc/32/70/52/543327052.db2.gz IRBABSUKLJAIQG-VIFPVBQESA-N -1 3 296.164 3.283 20 0 CGADHM CC(C)c1ccc(C(=O)N[C@H](C)C[C@@H]2CCOC2)c([O-])c1 ZINC000675416089 543337938 /nfs/dbraw/zinc/33/79/38/543337938.db2.gz NQDJTKPGYJWUNV-OLZOCXBDSA-N -1 3 291.391 3.061 20 0 CGADHM CC(C)CO[C@@H](C)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000677211444 543440681 /nfs/dbraw/zinc/44/06/81/543440681.db2.gz ADYLXVVJKDMQBM-VIFPVBQESA-N -1 3 271.744 3.045 20 0 CGADHM O=c1nc(-c2ccsn2)[n-]c2sc3c(c21)CCCC3 ZINC000333097909 296593740 /nfs/dbraw/zinc/59/37/40/296593740.db2.gz BZJJQVPQTCZRIT-UHFFFAOYSA-N -1 3 289.385 3.399 20 0 CGADHM C[C@@H]([N-]c1nc(-c2ccccc2)no1)[C@@H]1CCCCO1 ZINC000679005553 543581567 /nfs/dbraw/zinc/58/15/67/543581567.db2.gz VYHTXSCETKXCIJ-YPMHNXCESA-N -1 3 273.336 3.106 20 0 CGADHM C[C@@H]([N-]c1nc(-c2ccccc2)no1)[C@H]1CCCCO1 ZINC000679005550 543581328 /nfs/dbraw/zinc/58/13/28/543581328.db2.gz VYHTXSCETKXCIJ-DGCLKSJQSA-N -1 3 273.336 3.106 20 0 CGADHM C[C@H](C(=O)[O-])N(Cc1ccc(Cl)cc1Cl)C1CC1 ZINC000262284257 289388531 /nfs/dbraw/zinc/38/85/31/289388531.db2.gz WGFBSKFNYYFEJU-MRVPVSSYSA-N -1 3 288.174 3.431 20 0 CGADHM C[C@H]1CC[C@]2(CCN(C(=O)c3ccccc3[O-])C2)C1 ZINC000360679789 300078294 /nfs/dbraw/zinc/07/82/94/300078294.db2.gz ICFFUYVJJXKPRO-LRDDRELGSA-N -1 3 259.349 3.045 20 0 CGADHM Cc1ccc(C(=O)N[C@H]2CCC[C@H](C)C2)c([O-])c1C ZINC000048573269 286907767 /nfs/dbraw/zinc/90/77/67/286907767.db2.gz YCKASLGYJKYXAT-GWCFXTLKSA-N -1 3 261.365 3.318 20 0 CGADHM CC[C@@H](C)C[C@@H](C)NC(=O)NCc1ccc([O-])c(F)c1 ZINC000074374413 287012324 /nfs/dbraw/zinc/01/23/24/287012324.db2.gz GGMWFKCXZFCJNZ-GHMZBOCLSA-N -1 3 282.359 3.155 20 0 CGADHM C[C@@H](c1ccccc1F)N(C)CCCCCC(=O)[O-] ZINC000083679645 287080287 /nfs/dbraw/zinc/08/02/87/287080287.db2.gz ZWBKXQVRUWTZDZ-LBPRGKRZSA-N -1 3 267.344 3.464 20 0 CGADHM CCc1onc(C)c1[N-]C(=O)c1cc(F)ccc1F ZINC000089393845 287089017 /nfs/dbraw/zinc/08/90/17/287089017.db2.gz CCALXSMQGFLDTQ-UHFFFAOYSA-N -1 3 266.247 3.076 20 0 CGADHM CCc1onc(C)c1[N-]C(=O)c1cc(F)c(F)c(F)c1 ZINC000089409562 287089702 /nfs/dbraw/zinc/08/97/02/287089702.db2.gz WKRPELVDUWBEIY-UHFFFAOYSA-N -1 3 284.237 3.215 20 0 CGADHM O=C(Cc1cccc(Cl)c1)Nc1ccc([O-])cc1F ZINC000085203855 165178534 /nfs/dbraw/zinc/17/85/34/165178534.db2.gz KCCGGLMEPHISNK-UHFFFAOYSA-N -1 3 279.698 3.366 20 0 CGADHM Cc1ccc(C)c(NCc2nc(C(F)(F)F)cc(=O)[n-]2)c1 ZINC000090370982 165232486 /nfs/dbraw/zinc/23/24/86/165232486.db2.gz DZNKPKLHCASGTO-UHFFFAOYSA-N -1 3 297.280 3.018 20 0 CGADHM CCc1ccc([O-])c(C(=O)N(Cc2ccncc2)C2CC2)c1 ZINC000094037114 165343708 /nfs/dbraw/zinc/34/37/08/165343708.db2.gz MUAMHIZMZQSPEN-UHFFFAOYSA-N -1 3 296.370 3.154 20 0 CGADHM COc1ccc(CN(C)Cc2ccc(C(=O)[O-])s2)cc1 ZINC000109601722 287129351 /nfs/dbraw/zinc/12/93/51/287129351.db2.gz ATVJHJJWNUWOAK-UHFFFAOYSA-N -1 3 291.372 3.087 20 0 CGADHM O=C(Nc1ccccc1OCC1CC1)c1cccc([O-])c1 ZINC000182494188 165703796 /nfs/dbraw/zinc/70/37/96/165703796.db2.gz QYSYARMYJRVBTR-UHFFFAOYSA-N -1 3 283.327 3.433 20 0 CGADHM CCN(C(=O)c1cccc(C)c1[O-])[C@H](C)c1cccnc1 ZINC000115223078 287153313 /nfs/dbraw/zinc/15/33/13/287153313.db2.gz HHMNQBOPEITVMN-CYBMUJFWSA-N -1 3 284.359 3.319 20 0 CGADHM O=C(COc1ccc(F)cc1)Nc1cc(Cl)ccc1[O-] ZINC000008189066 170323526 /nfs/dbraw/zinc/32/35/26/170323526.db2.gz DJVIWQZSOKXYKE-UHFFFAOYSA-N -1 3 295.697 3.202 20 0 CGADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)C1CCC1 ZINC000125258787 287241813 /nfs/dbraw/zinc/24/18/13/287241813.db2.gz LWIYXNVTIAGVJW-UHFFFAOYSA-N -1 3 259.227 3.150 20 0 CGADHM [O-]c1ccccc1-c1nc(-c2ccc(F)cc2)no1 ZINC000022120038 171353561 /nfs/dbraw/zinc/35/35/61/171353561.db2.gz GDHILPJASIABCJ-UHFFFAOYSA-N -1 3 256.236 3.248 20 0 CGADHM O=C(COc1ccccc1Cl)Nc1cccc([O-])c1F ZINC000128324874 287308629 /nfs/dbraw/zinc/30/86/29/287308629.db2.gz PDBNVVTZEUVRNI-UHFFFAOYSA-N -1 3 295.697 3.202 20 0 CGADHM CN(Cc1cccs1)Cc1ccc(F)cc1C(=O)[O-] ZINC000071264754 176098178 /nfs/dbraw/zinc/09/81/78/176098178.db2.gz DGUPUOCMLRIXNW-UHFFFAOYSA-N -1 3 279.336 3.217 20 0 CGADHM CCCCN(CCC(=O)[O-])Cc1ccccc1Cl ZINC000071737375 176257635 /nfs/dbraw/zinc/25/76/35/176257635.db2.gz ZFMNYPNQMIAEBF-UHFFFAOYSA-N -1 3 269.772 3.417 20 0 CGADHM CCN(Cc1cccc([O-])c1Cl)[C@@H]1CCCOC1 ZINC000402685865 416547263 /nfs/dbraw/zinc/54/72/63/416547263.db2.gz KAQHZXVBGGGFQZ-GFCCVEGCSA-N -1 3 269.772 3.047 20 0 CGADHM CC(C)O[C@H]1CCCN(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000404541427 416555380 /nfs/dbraw/zinc/55/53/80/416555380.db2.gz RARAWQARRXZGKX-LBPRGKRZSA-N -1 3 297.782 3.075 20 0 CGADHM Cc1cc(C(=O)N2CC(Cc3ccccc3C)C2)ccc1[O-] ZINC000679410638 543636339 /nfs/dbraw/zinc/63/63/39/543636339.db2.gz XSMJGYPITHSYBM-UHFFFAOYSA-N -1 3 295.382 3.324 20 0 CGADHM Cc1ccsc1[C@@H]1C[C@H]1C(=O)Nc1nc(C)ccc1[O-] ZINC000680321150 543696479 /nfs/dbraw/zinc/69/64/79/543696479.db2.gz KNSAOCUEONYPCO-GHMZBOCLSA-N -1 3 288.372 3.208 20 0 CGADHM Cc1ccsc1[C@H]1C[C@@H]1C(=O)Nc1nc(C)ccc1[O-] ZINC000680321152 543696734 /nfs/dbraw/zinc/69/67/34/543696734.db2.gz KNSAOCUEONYPCO-QWRGUYRKSA-N -1 3 288.372 3.208 20 0 CGADHM O=C(c1cccc([O-])c1)N1CCCc2sccc2C1 ZINC000679637025 543652265 /nfs/dbraw/zinc/65/22/65/543652265.db2.gz FRTNEGSNRMFBIP-UHFFFAOYSA-N -1 3 273.357 3.042 20 0 CGADHM C[C@H]1CCN(C(=O)c2coc(C3CC3)n2)c2c([O-])cccc21 ZINC000681636921 543798288 /nfs/dbraw/zinc/79/82/88/543798288.db2.gz NXDMDURDZHWWCQ-JTQLQIEISA-N -1 3 298.342 3.412 20 0 CGADHM CC[C@@H](NC(=O)c1cccc2nn[n-]c21)C1CCCCC1 ZINC000682157221 543831434 /nfs/dbraw/zinc/83/14/34/543831434.db2.gz WITYVBNLHDKKNZ-CYBMUJFWSA-N -1 3 286.379 3.047 20 0 CGADHM CC[C@@H](NC(=O)c1cccc2[n-]nnc21)C1CCCCC1 ZINC000682157221 543831435 /nfs/dbraw/zinc/83/14/35/543831435.db2.gz WITYVBNLHDKKNZ-CYBMUJFWSA-N -1 3 286.379 3.047 20 0 CGADHM CC[C@@H](NC(=O)c1cccc2n[n-]nc21)C1CCCCC1 ZINC000682157221 543831438 /nfs/dbraw/zinc/83/14/38/543831438.db2.gz WITYVBNLHDKKNZ-CYBMUJFWSA-N -1 3 286.379 3.047 20 0 CGADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)C2CCC2)sc1Cl ZINC000682729427 543862916 /nfs/dbraw/zinc/86/29/16/543862916.db2.gz BEVSLCFSFNDZQE-QMMMGPOBSA-N -1 3 293.841 3.177 20 0 CGADHM FC(F)(F)c1nnc([N-]Cc2cccc3cnccc32)o1 ZINC000682805305 543870173 /nfs/dbraw/zinc/87/01/73/543870173.db2.gz CLGXOONVGCEXJN-UHFFFAOYSA-N -1 3 294.236 3.249 20 0 CGADHM C[C@@H]1CC[C@H](NC(=O)c2c[n-]nc2-c2ccccn2)C[C@@H]1C ZINC000685825564 544098764 /nfs/dbraw/zinc/09/87/64/544098764.db2.gz IIUCPUPAHNQQFQ-AGIUHOORSA-N -1 3 298.390 3.026 20 0 CGADHM O=C([N-]c1nc2ccccn2n1)c1cc2ccccc2s1 ZINC000133009420 287415011 /nfs/dbraw/zinc/41/50/11/287415011.db2.gz YKGKKAXZEAKYRO-UHFFFAOYSA-N -1 3 294.339 3.196 20 0 CGADHM CC[C@@H]1CCCCCN1C(=O)c1cc(OC)ccc1[O-] ZINC000134723345 287452739 /nfs/dbraw/zinc/45/27/39/287452739.db2.gz IFGPIZRDKPLDHR-GFCCVEGCSA-N -1 3 277.364 3.196 20 0 CGADHM [O-]c1ccc(F)c(CNCCC[C@@H]2CCCC[C@H]2O)c1F ZINC000352679693 227155942 /nfs/dbraw/zinc/15/59/42/227155942.db2.gz HOXARQKMXSTIGP-SMDDNHRTSA-N -1 3 299.361 3.091 20 0 CGADHM CCO[C@@H](C(=O)Nc1ccc(C)cc1[O-])c1ccccc1 ZINC000141361959 287494415 /nfs/dbraw/zinc/49/44/15/287494415.db2.gz BFQBRDGUKWZFRW-MRXNPFEDSA-N -1 3 285.343 3.417 20 0 CGADHM CCCO[C@H]1CCCN([C@@H](C)c2ccc(C(=O)[O-])o2)CC1 ZINC000652411236 418965188 /nfs/dbraw/zinc/96/51/88/418965188.db2.gz SEZOISVFBPZSHI-STQMWFEESA-N -1 3 295.379 3.320 20 0 CGADHM O=C([O-])c1cccc(Cl)c1CN1CCCCC1 ZINC000652451161 418970439 /nfs/dbraw/zinc/97/04/39/418970439.db2.gz SKJOPPAAKPNQGG-UHFFFAOYSA-N -1 3 253.729 3.024 20 0 CGADHM CCC(C)(C)CCN1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000652470948 418973031 /nfs/dbraw/zinc/97/30/31/418973031.db2.gz ODIAANMMNVKDFB-OAHLLOKOSA-N -1 3 275.392 3.497 20 0 CGADHM Cc1ccc(OC(F)F)c(CN2CCC[C@@H]2CC(=O)[O-])c1 ZINC000652484410 418974222 /nfs/dbraw/zinc/97/42/22/418974222.db2.gz LVWGBVBPRIDIMN-GFCCVEGCSA-N -1 3 299.317 3.036 20 0 CGADHM C[C@@H]1CCC[C@@H](C)N1Cc1ccc(C(=O)[O-])cc1F ZINC000652367012 418957659 /nfs/dbraw/zinc/95/76/59/418957659.db2.gz CYJOGZDZNVTPEN-GHMZBOCLSA-N -1 3 265.328 3.287 20 0 CGADHM CCC[C@@H](NC(=O)c1cc(=O)[n-]c(C2CC2)n1)C(C)(C)C ZINC000655126909 419023133 /nfs/dbraw/zinc/02/31/33/419023133.db2.gz CYZMEGGNWQYXPT-GFCCVEGCSA-N -1 3 291.395 3.004 20 0 CGADHM COC[C@H](CC(C)(C)C)NC(=O)c1cc([O-])ccc1Cl ZINC000655302903 419037206 /nfs/dbraw/zinc/03/72/06/419037206.db2.gz BPKIVSYSEYXOJV-JTQLQIEISA-N -1 3 299.798 3.227 20 0 CGADHM O=C([O-])[C@@H]1CN(Cc2ccc(F)c(Cl)c2)C[C@H]1C1CC1 ZINC000652514928 418978322 /nfs/dbraw/zinc/97/83/22/418978322.db2.gz HREKDHWQROPSDF-NWDGAFQWSA-N -1 3 297.757 3.022 20 0 CGADHM O=C([O-])c1ccc(CN2CCC[C@@H](CCF)C2)cc1F ZINC000659789407 418989660 /nfs/dbraw/zinc/98/96/60/418989660.db2.gz FAACNNJKMFNKQY-NSHDSACASA-N -1 3 283.318 3.096 20 0 CGADHM CC[C@@H](OCCNC(=O)c1cccc([O-])c1)c1ccccc1 ZINC000652754398 418989938 /nfs/dbraw/zinc/98/99/38/418989938.db2.gz HKVABPYZIYODLR-QGZVFWFLSA-N -1 3 299.370 3.290 20 0 CGADHM CC(C)=CCCN1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000659789715 418991742 /nfs/dbraw/zinc/99/17/42/418991742.db2.gz ULOBIPZUIZWUDM-HNNXBMFYSA-N -1 3 259.349 3.027 20 0 CGADHM O=C(CCCc1ccc([O-])c(F)c1)NC1CC2(CCC2)C1 ZINC000652970036 419005397 /nfs/dbraw/zinc/00/53/97/419005397.db2.gz ZJHDAIQEHHKLQI-UHFFFAOYSA-N -1 3 291.366 3.303 20 0 CGADHM Cc1cc(C)c(CNC(C)(C)c2nc(C)cc(=O)[n-]2)c(C)c1 ZINC000660747256 419189334 /nfs/dbraw/zinc/18/93/34/419189334.db2.gz ROOCSIXRBZCQFZ-UHFFFAOYSA-N -1 3 299.418 3.441 20 0 CGADHM Cc1cc(=O)[n-]c(C(C)(C)NCc2ccc(Cl)s2)n1 ZINC000660747335 419189849 /nfs/dbraw/zinc/18/98/49/419189849.db2.gz PNTNHNNOEGPUDH-UHFFFAOYSA-N -1 3 297.811 3.230 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N2CCC(C3CCC3)CC2)n1 ZINC000661374144 419253954 /nfs/dbraw/zinc/25/39/54/419253954.db2.gz KFEPOFUZFMWIJJ-LBPRGKRZSA-N -1 3 275.396 3.064 20 0 CGADHM Cc1occc1CN1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000666293656 419206905 /nfs/dbraw/zinc/20/69/05/419206905.db2.gz MRBLFIOXAAISBE-UHFFFAOYSA-N -1 3 299.370 3.389 20 0 CGADHM COc1cccc(CN2CC[C@H](C)C[C@H]2C(=O)[O-])c1Cl ZINC000656756718 419209405 /nfs/dbraw/zinc/20/94/05/419209405.db2.gz NSLYWPXKOUGKLB-JQWIXIFHSA-N -1 3 297.782 3.034 20 0 CGADHM Cc1ccc2c(c1)[C@H](NCc1ccc(C(=O)[O-])cc1)CC2 ZINC000666574236 419227170 /nfs/dbraw/zinc/22/71/70/419227170.db2.gz GLECLLOJSSEUDH-QGZVFWFLSA-N -1 3 281.355 3.470 20 0 CGADHM CCCn1c(=O)[n-]nc1SC[C@@H](CC)CC(F)F ZINC000657232321 419233826 /nfs/dbraw/zinc/23/38/26/419233826.db2.gz VHAYMNBRUSOTGQ-QMMMGPOBSA-N -1 3 279.356 3.167 20 0 CGADHM CCC(C)(C)[C@@H](C)NC(=O)NCc1ccc([O-])c(F)c1 ZINC000661558832 419272783 /nfs/dbraw/zinc/27/27/83/419272783.db2.gz JYPNGEMYNZQRCP-SNVBAGLBSA-N -1 3 282.359 3.155 20 0 CGADHM CCC1(CC)[C@@H](OC)C[C@@H]1N(C)C(=O)c1ccccc1[O-] ZINC000151766745 287521827 /nfs/dbraw/zinc/52/18/27/287521827.db2.gz KPXKUSOUCWDOJS-GJZGRUSLSA-N -1 3 291.391 3.058 20 0 CGADHM Cc1cc(C(=O)Nc2ccc(F)c(C)c2)ccc1[O-] ZINC000227026132 287636825 /nfs/dbraw/zinc/63/68/25/287636825.db2.gz KUPUQJSUVZNYBC-UHFFFAOYSA-N -1 3 259.280 3.400 20 0 CGADHM C[C@@H](CC(=O)[O-])NCc1ccc(-c2c(F)cccc2F)o1 ZINC000414642677 263019328 /nfs/dbraw/zinc/01/93/28/263019328.db2.gz WBVQAMMPUAWFCE-VIFPVBQESA-N -1 3 295.285 3.178 20 0 CGADHM CCN(C)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000101681634 270044714 /nfs/dbraw/zinc/04/47/14/270044714.db2.gz WYMPFIXXOQMMPL-UHFFFAOYSA-N -1 3 283.371 3.269 20 0 CGADHM CC[C@@H](NC(=O)c1cc(C)ccc1[O-])c1nc(C)cs1 ZINC000105381523 270047407 /nfs/dbraw/zinc/04/74/07/270047407.db2.gz GPVLVRDZPRWVBF-GFCCVEGCSA-N -1 3 290.388 3.347 20 0 CGADHM C[C@@H]1CC[C@H](CC(=O)N2CCCc3cccc([O-])c32)C1 ZINC000182918858 270054516 /nfs/dbraw/zinc/05/45/16/270054516.db2.gz VDSJRJXYGIHEGZ-OLZOCXBDSA-N -1 3 273.376 3.498 20 0 CGADHM COc1cc(CNCc2cc([O-])cc(F)c2)ccc1C ZINC000185495344 270062868 /nfs/dbraw/zinc/06/28/68/270062868.db2.gz ZZLRKCXFJLEMSZ-UHFFFAOYSA-N -1 3 275.323 3.138 20 0 CGADHM [O-]c1cc(F)cc(CNCc2nccc3ccccc32)c1 ZINC000185495876 270062950 /nfs/dbraw/zinc/06/29/50/270062950.db2.gz ACPIJOAHKIHYAW-UHFFFAOYSA-N -1 3 282.318 3.369 20 0 CGADHM C[S@](=O)c1ccc(NCc2cc([O-])cc(F)c2)cc1F ZINC000185599306 270063660 /nfs/dbraw/zinc/06/36/60/270063660.db2.gz TWFJBXSZJARDNY-FQEVSTJZSA-N -1 3 297.326 3.020 20 0 CGADHM CCCC[C@H](CC)CNC(=O)c1ccc(O)cc1[O-] ZINC000220050472 270085755 /nfs/dbraw/zinc/08/57/55/270085755.db2.gz POBHRFDYBRXYFH-NSHDSACASA-N -1 3 265.353 3.044 20 0 CGADHM CC1(C)CCC[C@H]1C(=O)N1CCCc2cccc([O-])c21 ZINC000229012718 270088200 /nfs/dbraw/zinc/08/82/00/270088200.db2.gz RBHJUVIEJYGJMZ-ZDUSSCGKSA-N -1 3 273.376 3.498 20 0 CGADHM CCC[C@@H](NC(=O)c1ccc([O-])c(C)c1)C1CCC1 ZINC000325275097 270094895 /nfs/dbraw/zinc/09/48/95/270094895.db2.gz NINQCCBNCCTBIV-CQSZACIVSA-N -1 3 261.365 3.399 20 0 CGADHM Cc1ccc(NC(=O)[C@@H]2CCCCC2(F)F)c([O-])c1 ZINC000327634823 270094923 /nfs/dbraw/zinc/09/49/23/270094923.db2.gz PZNXAIKPSULGKR-JTQLQIEISA-N -1 3 269.291 3.465 20 0 CGADHM C[C@@H]1CCCC[C@H]1CC(=O)N=c1cc(-c2ccncc2)[n-][nH]1 ZINC000522312567 270105870 /nfs/dbraw/zinc/10/58/70/270105870.db2.gz ZJWVFTKONUPSCX-OCCSQVGLSA-N -1 3 298.390 3.049 20 0 CGADHM CCc1ccc([O-])c(C(=O)N(C)CC2CCCC2)c1 ZINC000523333210 270108347 /nfs/dbraw/zinc/10/83/47/270108347.db2.gz DYNYSVVSOOSZNE-UHFFFAOYSA-N -1 3 261.365 3.217 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2cnn(CC(C)C)c2)c1 ZINC000525261475 270118663 /nfs/dbraw/zinc/11/86/63/270118663.db2.gz ZKIYCWORBMNVAP-UHFFFAOYSA-N -1 3 287.363 3.059 20 0 CGADHM C[C@H](O[N-]C(=O)[C@@H]1[C@H](C)[C@@H]1C1CC1)c1ccccc1 ZINC000529410030 270180581 /nfs/dbraw/zinc/18/05/81/270180581.db2.gz PQIBHQNDANHIKI-BAESOJJISA-N -1 3 259.349 3.088 20 0 CGADHM Cc1cc(C(=O)N[C@@H]2C[C@H]2c2ccsc2)ccc1[O-] ZINC000530000823 270192607 /nfs/dbraw/zinc/19/26/07/270192607.db2.gz JLRWKHSMUZGUOY-QWHCGFSZSA-N -1 3 273.357 3.048 20 0 CGADHM CC(C)C[C@@H](C)N1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC000530168612 270195303 /nfs/dbraw/zinc/19/53/03/270195303.db2.gz KQTCVZZMZQBUPW-LLVKDONJSA-N -1 3 279.355 3.317 20 0 CGADHM O=C([O-])[C@H]1c2ccoc2CCN1CC1CCC(F)(F)CC1 ZINC000530166181 270195371 /nfs/dbraw/zinc/19/53/71/270195371.db2.gz LQOAWVSJJJPMLS-CYBMUJFWSA-N -1 3 299.317 3.089 20 0 CGADHM CCc1cccc(C(=O)Nc2ccc3c(c2)CCO3)c1[O-] ZINC000531193780 270204879 /nfs/dbraw/zinc/20/48/79/270204879.db2.gz DXWURKRNIIHXAN-UHFFFAOYSA-N -1 3 283.327 3.142 20 0 CGADHM Cn1cc(CC(=O)Nc2cc(F)ccc2[O-])c2ccccc21 ZINC000531373858 270206208 /nfs/dbraw/zinc/20/62/08/270206208.db2.gz UCLKJTBDWCJYCT-UHFFFAOYSA-N -1 3 298.317 3.204 20 0 CGADHM CCc1ccc([O-])c(C(=O)N[C@@H]2[C@H]3Cc4ccccc4[C@@H]23)c1 ZINC000531928181 270210610 /nfs/dbraw/zinc/21/06/10/270210610.db2.gz CYUKTBNAXUOXSZ-CGTJXYLNSA-N -1 3 293.366 3.023 20 0 CGADHM CCS[C@@H]1CCCC[C@H]1N[C@H](C)c1nc(C)cc(=O)[n-]1 ZINC000248730248 287781166 /nfs/dbraw/zinc/78/11/66/287781166.db2.gz JERUKQSOVCXJKN-JHJVBQTASA-N -1 3 295.452 3.206 20 0 CGADHM CC(=O)c1ccc(C(=O)N2CC[C@@H](C)C(C)(C)C2)cc1[O-] ZINC000412249828 275502604 /nfs/dbraw/zinc/50/26/04/275502604.db2.gz NLUCNBIGVSNOMR-LLVKDONJSA-N -1 3 289.375 3.103 20 0 CGADHM O=C(/C=C\c1cncc([O-])c1)Nc1cccc(Cl)c1 ZINC000255509277 287869680 /nfs/dbraw/zinc/86/96/80/287869680.db2.gz VBBHYIPNARHLGQ-PLNGDYQASA-N -1 3 274.707 3.093 20 0 CGADHM CC1(C)CC[C@H](c2nc(-c3ccc([O-])cc3)no2)O1 ZINC000278936341 276118288 /nfs/dbraw/zinc/11/82/88/276118288.db2.gz FQSYKVHPAXVRHP-LLVKDONJSA-N -1 3 260.293 3.072 20 0 CGADHM CCO[C@@H]1CCCC[C@H]1NCc1cccc([O-])c1Cl ZINC000449763647 276337089 /nfs/dbraw/zinc/33/70/89/276337089.db2.gz UCPLDHBDGZANQM-TZMCWYRMSA-N -1 3 283.799 3.483 20 0 CGADHM CC[C@]1(C)CCN(Cc2ccc(C(=O)[O-])cc2F)C1 ZINC000399304152 288050592 /nfs/dbraw/zinc/05/05/92/288050592.db2.gz HBBDHAXAJDQOQT-OAHLLOKOSA-N -1 3 265.328 3.146 20 0 CGADHM Cc1cc(C(=O)[N-]c2nc3cc(Cl)ccc3s2)on1 ZINC000026278737 278655207 /nfs/dbraw/zinc/65/52/07/278655207.db2.gz MDKCGCHPOWQNNC-UHFFFAOYSA-N -1 3 293.735 3.498 20 0 CGADHM O=C(Nc1cc(C(F)(F)F)ccc1[O-])c1ccccn1 ZINC000078490865 280005762 /nfs/dbraw/zinc/00/57/62/280005762.db2.gz ZGHRATCMRDTNJA-UHFFFAOYSA-N -1 3 282.221 3.058 20 0 CGADHM O=C(c1ccc(F)cc1)N1CCCc2cccc([O-])c21 ZINC000063063735 280186137 /nfs/dbraw/zinc/18/61/37/280186137.db2.gz BOANZKUOMXVGLS-UHFFFAOYSA-N -1 3 271.291 3.124 20 0 CGADHM CC[C@@H]1CCCCCN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000336577699 280237334 /nfs/dbraw/zinc/23/73/34/280237334.db2.gz WSLORMKUUVPKHK-CYBMUJFWSA-N -1 3 298.386 3.323 20 0 CGADHM CC1(CNC(=O)c2cc([O-])cc(Br)c2)CCC1 ZINC000528797362 288220467 /nfs/dbraw/zinc/22/04/67/288220467.db2.gz KWAKMVZKYNLRPH-UHFFFAOYSA-N -1 3 298.180 3.075 20 0 CGADHM CC1(C)CCN(C(=O)c2ccc3c(c2[O-])CCCC3)C1 ZINC000182901780 281086440 /nfs/dbraw/zinc/08/64/40/281086440.db2.gz VFQSSLJFHYYQJJ-UHFFFAOYSA-N -1 3 273.376 3.143 20 0 CGADHM CC[C@H]1CCC[C@H]1C(=O)N1CCCc2cccc([O-])c21 ZINC000450510343 281087172 /nfs/dbraw/zinc/08/71/72/281087172.db2.gz GJNLNEHROBOGGO-GXTWGEPZSA-N -1 3 273.376 3.498 20 0 CGADHM Cc1cccc(C(=O)Nc2ccc3c(c2)OC(C)(C)O3)c1[O-] ZINC000195638298 281196197 /nfs/dbraw/zinc/19/61/97/281196197.db2.gz VPLFMSVICZFUMI-UHFFFAOYSA-N -1 3 299.326 3.460 20 0 CGADHM CCc1cc(=O)[n-]c(CN(C(C)C)C2CC(C)(C)C2)n1 ZINC000452105819 281387148 /nfs/dbraw/zinc/38/71/48/281387148.db2.gz OVBXTCAHPMHWLT-UHFFFAOYSA-N -1 3 277.412 3.144 20 0 CGADHM CCc1ccc(C(=O)N(C)[C@@H]2CC[C@H](C)C2)c([O-])c1 ZINC000436877054 281393800 /nfs/dbraw/zinc/39/38/00/281393800.db2.gz MSEQVKXXWHSJPT-WCQYABFASA-N -1 3 261.365 3.215 20 0 CGADHM CCc1ccc([O-])c(C(=O)N(Cc2ccccn2)C(C)C)c1 ZINC000537639581 288541043 /nfs/dbraw/zinc/54/10/43/288541043.db2.gz ZCOPLDWXXJVHTF-UHFFFAOYSA-N -1 3 298.386 3.400 20 0 CGADHM C[C@@H]1C[C@@H]1c1ccc(CNC(=O)c2cccc([O-])c2)o1 ZINC000540962325 288680188 /nfs/dbraw/zinc/68/01/88/288680188.db2.gz FCRNBVUUEQRZHQ-YGRLFVJLSA-N -1 3 271.316 3.039 20 0 CGADHM CCc1cccc(C(=O)N2CCCCC[C@@H]2C)c1[O-] ZINC000547949458 288982973 /nfs/dbraw/zinc/98/29/73/288982973.db2.gz AZJHEGGSBFIQAJ-LBPRGKRZSA-N -1 3 261.365 3.359 20 0 CGADHM CC[C@@](C)([N-]S(=O)(=O)c1ccccc1C)C(F)(F)F ZINC000548474321 289007522 /nfs/dbraw/zinc/00/75/22/289007522.db2.gz LRXNTFCQXDQMNT-LLVKDONJSA-N -1 3 295.326 3.004 20 0 CGADHM O=C([N-]c1nnc(C2CC2)s1)c1cnc(C2CC2)s1 ZINC000552143309 289167830 /nfs/dbraw/zinc/16/78/30/289167830.db2.gz MVHKWJJKCRTJPR-UHFFFAOYSA-N -1 3 292.389 3.002 20 0 CGADHM CCc1cccc(C(=O)NCCCC(F)(F)F)c1[O-] ZINC000552424192 289188283 /nfs/dbraw/zinc/18/82/83/289188283.db2.gz PDMPPUTXDSKRGU-UHFFFAOYSA-N -1 3 275.270 3.027 20 0 CGADHM C[C@H](C(=O)N1CC[C@H](C)c2cccc([O-])c21)C1CC1 ZINC000186272348 289301137 /nfs/dbraw/zinc/30/11/37/289301137.db2.gz SKRRQMHDWRZQON-QWRGUYRKSA-N -1 3 259.349 3.279 20 0 CGADHM C[C@H]1CN(C(=O)c2cc([O-])ccc2C(F)(F)F)C[C@@H]1C ZINC000276360320 300187775 /nfs/dbraw/zinc/18/77/75/300187775.db2.gz ADMBRPZXXLMRQW-IUCAKERBSA-N -1 3 287.281 3.139 20 0 CGADHM Cc1cccc2c1ncc(C)c2N(C)C[C@H](C)C(=O)[O-] ZINC000263568820 302067506 /nfs/dbraw/zinc/06/75/06/302067506.db2.gz YUSTYAJMJNIESO-LBPRGKRZSA-N -1 3 272.348 3.009 20 0 CGADHM CCC[C@@H]1CCCCN1C(=O)NCc1ccc([O-])c(F)c1 ZINC000186261363 327685726 /nfs/dbraw/zinc/68/57/26/327685726.db2.gz SXUGPZSVVTYQOQ-CYBMUJFWSA-N -1 3 294.370 3.396 20 0 CGADHM O=C([N-]c1nnc(C(F)F)s1)c1csc(Cl)c1 ZINC000187859458 327724493 /nfs/dbraw/zinc/72/44/93/327724493.db2.gz SHZMEHJXUYFDLV-UHFFFAOYSA-N -1 3 295.723 3.443 20 0 CGADHM COc1ccc(F)cc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000153648933 321723418 /nfs/dbraw/zinc/72/34/18/321723418.db2.gz SBEDSVVFSQFVDY-UHFFFAOYSA-N -1 3 295.697 3.446 20 0 CGADHM O=C(/C=C/c1ccnc(Cl)c1)Nc1cc(F)ccc1[O-] ZINC000156918980 321788072 /nfs/dbraw/zinc/78/80/72/321788072.db2.gz HSEBZWXFBVLRBB-DAFODLJHSA-N -1 3 292.697 3.232 20 0 CGADHM Cc1ccc(NC(=O)c2cc3nc(C)ccc3o2)c([O-])c1 ZINC000170929387 321916966 /nfs/dbraw/zinc/91/69/66/321916966.db2.gz CPTLUDGRYPBOCD-UHFFFAOYSA-N -1 3 282.299 3.403 20 0 CGADHM CC[C@H](C)CCC(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000565025074 322055697 /nfs/dbraw/zinc/05/56/97/322055697.db2.gz PCRRXSWYBOTTME-JTQLQIEISA-N -1 3 263.337 3.360 20 0 CGADHM CC(C)[C@@H]1CCC[C@H](NC(=O)Cc2cncc([O-])c2)CC1 ZINC000565214495 322066634 /nfs/dbraw/zinc/06/66/34/322066634.db2.gz PMWSPVDQFWTCDZ-CABCVRRESA-N -1 3 290.407 3.051 20 0 CGADHM CC(C)C[C@H](C(=O)[O-])N(C)Cc1ccc(Cl)cc1F ZINC000565366140 322074759 /nfs/dbraw/zinc/07/47/59/322074759.db2.gz QHCZSEKREZRNSS-CYBMUJFWSA-N -1 3 287.762 3.410 20 0 CGADHM C[C@@H](c1ccco1)N(Cc1ncccc1[O-])C1CC1 ZINC000565390013 322075643 /nfs/dbraw/zinc/07/56/43/322075643.db2.gz JAVSEUFVHFZYGB-NSHDSACASA-N -1 3 258.321 3.106 20 0 CGADHM CC1(C)CN(Cc2ncccc2[O-])[C@@H]1c1cccs1 ZINC000565742888 322089274 /nfs/dbraw/zinc/08/92/74/322089274.db2.gz FKAANJAQTIWZGF-CQSZACIVSA-N -1 3 274.389 3.432 20 0 CGADHM CCc1cc(NC(=O)c2cccc([O-])c2)c2ccccc2n1 ZINC000566044914 322101856 /nfs/dbraw/zinc/10/18/56/322101856.db2.gz QGSZDYNTMFFERY-UHFFFAOYSA-N -1 3 292.338 3.177 20 0 CGADHM C[C@H]1CCN([C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)C1 ZINC000566359787 322118198 /nfs/dbraw/zinc/11/81/98/322118198.db2.gz YGFIRXKGWKTYJM-QPUJVOFHSA-N -1 3 288.174 3.461 20 0 CGADHM COCC1(C)CCN([C@@H](C)c2cc(C(=O)[O-])c(C)o2)CC1 ZINC000566360937 322118232 /nfs/dbraw/zinc/11/82/32/322118232.db2.gz CNNXKJVJMAOIIT-NSHDSACASA-N -1 3 295.379 3.096 20 0 CGADHM C[C@H](CN(C)[C@@H](C)c1ccc(C(=O)[O-])o1)c1nccs1 ZINC000567117047 322151096 /nfs/dbraw/zinc/15/10/96/322151096.db2.gz UXJPJBSEOOFTRZ-ZJUUUORDSA-N -1 3 294.376 3.231 20 0 CGADHM Cc1cccc(Cl)c1CN1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000567172985 322152964 /nfs/dbraw/zinc/15/29/64/322152964.db2.gz IAJLUZBSAXZVDK-ZDUSSCGKSA-N -1 3 293.794 3.335 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)[C@@H]2C[C@H]2C2CCC2)c1-c1ccccc1 ZINC000568144000 322194490 /nfs/dbraw/zinc/19/44/90/322194490.db2.gz QKQRINQKIIKYHO-LSDHHAIUSA-N -1 3 295.386 3.182 20 0 CGADHM CCc1cc(C(=O)N2CC[C@@H]3CCCC[C@@H]32)ccc1[O-] ZINC000568751270 322220961 /nfs/dbraw/zinc/22/09/61/322220961.db2.gz FGSYJXFGPGFUSE-ZFWWWQNUSA-N -1 3 273.376 3.359 20 0 CGADHM CC(=O)c1cccc(NC(=O)C2(C(F)F)CCCC2)c1[O-] ZINC000569343439 322244028 /nfs/dbraw/zinc/24/40/28/322244028.db2.gz CSCHWOZUZFNPCO-UHFFFAOYSA-N -1 3 297.301 3.359 20 0 CGADHM COc1ccc([C@H]2CCCN2Cc2ncccc2[O-])cc1 ZINC000569509262 322249240 /nfs/dbraw/zinc/24/92/40/322249240.db2.gz ZPRJYTPVMWSDQE-MRXNPFEDSA-N -1 3 284.359 3.133 20 0 CGADHM Cc1cc([C@@H](C)N(C)CCC2CCOCC2)oc1C(=O)[O-] ZINC000570402802 322272727 /nfs/dbraw/zinc/27/27/27/322272727.db2.gz AHDGJCKPWSSTRM-GFCCVEGCSA-N -1 3 295.379 3.096 20 0 CGADHM COc1ccc(Cl)c(CN2CCC[C@@H](C)[C@H]2C(=O)[O-])c1 ZINC000570400397 322272837 /nfs/dbraw/zinc/27/28/37/322272837.db2.gz WUSWKFFXJPPFHA-YGRLFVJLSA-N -1 3 297.782 3.034 20 0 CGADHM C[C@@H]1C[C@H](C(=O)[O-])CN(C/C=C\c2ccc(F)cc2F)C1 ZINC000571752925 322306950 /nfs/dbraw/zinc/30/69/50/322306950.db2.gz XPMOTTVCWFXRTC-FIFDWTMUSA-N -1 3 295.329 3.021 20 0 CGADHM CCc1ccc(-c2nc(Cc3c(C)noc3C)no2)c([O-])c1 ZINC000572164569 322323187 /nfs/dbraw/zinc/32/31/87/322323187.db2.gz MYDMQNWHNNUEJG-UHFFFAOYSA-N -1 3 299.330 3.200 20 0 CGADHM C[C@H]1CC[C@H](C)N1Cc1cccc(C(=O)[O-])c1Cl ZINC000572414988 322336039 /nfs/dbraw/zinc/33/60/39/322336039.db2.gz QWLGJIUYTOYEPY-UWVGGRQHSA-N -1 3 267.756 3.411 20 0 CGADHM CCC[C@@H](C(=O)[O-])N1CCC[C@@H]1c1cccs1 ZINC000572848270 322358143 /nfs/dbraw/zinc/35/81/43/322358143.db2.gz CILZKHGFESEPEC-MNOVXSKESA-N -1 3 253.367 3.138 20 0 CGADHM O=C([O-])[C@@H]1CCCN(C/C=C\c2ccc(Cl)cc2)C1 ZINC000572850262 322358049 /nfs/dbraw/zinc/35/80/49/322358049.db2.gz KTLPGUUHPGGSMZ-GIDQFRGBSA-N -1 3 279.767 3.150 20 0 CGADHM C[C@H]1CC[C@](CNCc2cccc(F)c2F)(CC(=O)[O-])C1 ZINC000573156577 322373028 /nfs/dbraw/zinc/37/30/28/322373028.db2.gz UIRQENZFJHOAKE-MEDUHNTESA-N -1 3 297.345 3.336 20 0 CGADHM CC[C@@H]1CCC[C@H]1c1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000573494491 322391151 /nfs/dbraw/zinc/39/11/51/322391151.db2.gz HRQXAINSCGDEGQ-MWLCHTKSSA-N -1 3 283.335 3.302 20 0 CGADHM Cc1ccc2nccc(N3CC[C@@H](C)[C@@H](C(=O)[O-])C3)c2c1 ZINC000574205167 322428883 /nfs/dbraw/zinc/42/88/83/322428883.db2.gz VBQQQLCURCZQQZ-OCCSQVGLSA-N -1 3 284.359 3.090 20 0 CGADHM COc1cccc([C@@H](C)NC(=O)c2cc(C)ccc2[O-])c1 ZINC000436759240 533707858 /nfs/dbraw/zinc/70/78/58/533707858.db2.gz VHHVFZAFVDBFNL-GFCCVEGCSA-N -1 3 285.343 3.200 20 0 CGADHM Cc1ccc(C(=O)N2CCC(OC(C)C)CC2)c([O-])c1C ZINC000582499849 329104460 /nfs/dbraw/zinc/10/44/60/329104460.db2.gz AYBUOHUGYZTFKG-UHFFFAOYSA-N -1 3 291.391 3.039 20 0 CGADHM C[C@@H](C(=O)[O-])N(Cc1ccccc1Cl)C1CCC1 ZINC000582737610 329134299 /nfs/dbraw/zinc/13/42/99/329134299.db2.gz NSNDQVSWXDVCSC-JTQLQIEISA-N -1 3 267.756 3.168 20 0 CGADHM O=C(CCC1CC1)Nc1nnc(-c2cc3ccccc3o2)[n-]1 ZINC000582760649 329150734 /nfs/dbraw/zinc/15/07/34/329150734.db2.gz PKVUIHSDZFKZTJ-UHFFFAOYSA-N -1 3 296.330 3.347 20 0 CGADHM O=C(CCC1CC1)Nc1nc(-c2cc3ccccc3o2)n[n-]1 ZINC000582760649 329150735 /nfs/dbraw/zinc/15/07/35/329150735.db2.gz PKVUIHSDZFKZTJ-UHFFFAOYSA-N -1 3 296.330 3.347 20 0 CGADHM O=C(CCC1CC1)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000582760649 329150736 /nfs/dbraw/zinc/15/07/36/329150736.db2.gz PKVUIHSDZFKZTJ-UHFFFAOYSA-N -1 3 296.330 3.347 20 0 CGADHM CCCCN(Cc1cc(C(=O)[O-])oc1CC)C1CC1 ZINC000576166157 335163615 /nfs/dbraw/zinc/16/36/15/335163615.db2.gz GUKKVFBFVOZRDC-UHFFFAOYSA-N -1 3 265.353 3.305 20 0 CGADHM C[C@@H](Oc1cccc(F)c1)C(=O)Nc1cc(F)ccc1[O-] ZINC000174895507 335168923 /nfs/dbraw/zinc/16/89/23/335168923.db2.gz LNVSRTGBDXJRAR-SECBINFHSA-N -1 3 293.269 3.076 20 0 CGADHM CCOc1cc(CNCC(C)(F)F)cc(Cl)c1[O-] ZINC000576563377 335219094 /nfs/dbraw/zinc/21/90/94/335219094.db2.gz PAZLIEIPZXJMNY-UHFFFAOYSA-N -1 3 279.714 3.189 20 0 CGADHM CC(=O)c1cccc(NC(=O)CCOc2ccccc2)c1[O-] ZINC000577319584 335338534 /nfs/dbraw/zinc/33/85/34/335338534.db2.gz XMJOWJHMTZAKBC-UHFFFAOYSA-N -1 3 299.326 3.002 20 0 CGADHM CCCCO[C@H]1C[C@@H](N(C)Cc2ncccc2[O-])C1(C)C ZINC000577324777 335338778 /nfs/dbraw/zinc/33/87/78/335338778.db2.gz XMYZXBWPDVLTEM-CVEARBPZSA-N -1 3 292.423 3.203 20 0 CGADHM CC[C@H]1CCN([C@@H](C)c2cc(C(=O)[O-])c(C)o2)C1 ZINC000577500090 335360249 /nfs/dbraw/zinc/36/02/49/335360249.db2.gz OCRVTTLWFGEVEE-ONGXEEELSA-N -1 3 251.326 3.079 20 0 CGADHM CCOc1cc(-c2noc(COC(C)(C)C)n2)ccc1[O-] ZINC000350789849 335533193 /nfs/dbraw/zinc/53/31/93/335533193.db2.gz ACOGVWRSDHIILE-UHFFFAOYSA-N -1 3 292.335 3.156 20 0 CGADHM Cc1ccc(CC(=O)Nc2c(C)cccc2[O-])s1 ZINC000183052143 335858930 /nfs/dbraw/zinc/85/89/30/335858930.db2.gz ZSGDLBCNVXWCQZ-UHFFFAOYSA-N -1 3 261.346 3.252 20 0 CGADHM CCCN(Cc1c(Cl)cccc1C(=O)[O-])C1CC1 ZINC000581829625 336148984 /nfs/dbraw/zinc/14/89/84/336148984.db2.gz DIFMAIAXCCWCCN-UHFFFAOYSA-N -1 3 267.756 3.413 20 0 CGADHM CCC[C@@H]1[C@H](C)CCCN1Cc1nc(C(=O)[O-])cs1 ZINC000581889797 336160669 /nfs/dbraw/zinc/16/06/69/336160669.db2.gz MPDDWFRNYKKYIC-ZYHUDNBSSA-N -1 3 282.409 3.242 20 0 CGADHM COC(=O)c1cc(NC(=O)c2ccc([O-])c(C)c2)ccc1C ZINC000436936982 533887090 /nfs/dbraw/zinc/88/70/90/533887090.db2.gz GZKZIXMGMPMFIM-UHFFFAOYSA-N -1 3 299.326 3.048 20 0 CGADHM Cc1ccc(CNCc2ccccc2CC(=O)[O-])cc1F ZINC000426690886 534071095 /nfs/dbraw/zinc/07/10/95/534071095.db2.gz DFDOBUISYPRTQN-UHFFFAOYSA-N -1 3 287.334 3.051 20 0 CGADHM Cc1ccc(C[C@@H](C)NC(=O)c2ccc(O)cc2[O-])c(C)c1 ZINC000436669483 534122977 /nfs/dbraw/zinc/12/29/77/534122977.db2.gz MBHBMTXDXQRBPO-CYBMUJFWSA-N -1 3 299.370 3.076 20 0 CGADHM COc1ccc(OC)c(C=Cc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000414083916 534223796 /nfs/dbraw/zinc/22/37/96/534223796.db2.gz WQILNLQTZNTVFT-AATRIKPKSA-N -1 3 298.342 3.247 20 0 CGADHM CC(C)(C)c1csc(C[S@@](=O)c2cccc([O-])c2)n1 ZINC000184061889 519082940 /nfs/dbraw/zinc/08/29/40/519082940.db2.gz FZWFGEFRYPKLII-LJQANCHMSA-N -1 3 295.429 3.454 20 0 CGADHM Cc1ccc2cc([C@@H](C)NCc3cnc(C)[n-]c3=O)oc2c1 ZINC000426063658 534473801 /nfs/dbraw/zinc/47/38/01/534473801.db2.gz UHQOFPSHPVMHMB-LLVKDONJSA-N -1 3 297.358 3.396 20 0 CGADHM O=C([O-])[C@@H](NCc1ccc(F)c(Cl)c1)c1cccs1 ZINC000426824868 534515064 /nfs/dbraw/zinc/51/50/64/534515064.db2.gz JSRXTBHDFLUCMQ-LBPRGKRZSA-N -1 3 299.754 3.456 20 0 CGADHM CCOc1cccc(CN[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000050510110 521367147 /nfs/dbraw/zinc/36/71/47/521367147.db2.gz SNSSQLYQXZTKTR-MRXNPFEDSA-N -1 3 285.343 3.001 20 0 CGADHM Cc1cccc(C(=O)N2CCc3cccc(F)c32)c1[O-] ZINC000436596086 534597525 /nfs/dbraw/zinc/59/75/25/534597525.db2.gz PFGSFJYOAJHPII-UHFFFAOYSA-N -1 3 271.291 3.043 20 0 CGADHM Cc1cccc(C(=O)NC[C@H](C)c2ccc(F)cc2)c1[O-] ZINC000436723976 534608165 /nfs/dbraw/zinc/60/81/65/534608165.db2.gz WTGUPWZPQOEOJQ-LBPRGKRZSA-N -1 3 287.334 3.373 20 0 CGADHM O=C(Nc1ccc(Cl)cc1[O-])C1(C2CC2)CCOCC1 ZINC000336032873 534829464 /nfs/dbraw/zinc/82/94/64/534829464.db2.gz BHWDRNKGLOECET-UHFFFAOYSA-N -1 3 295.766 3.191 20 0 CGADHM Cc1ccc([O-])c(C(=O)N(C)[C@@H]2CCCC[C@@H]2C)c1 ZINC000055482028 525332940 /nfs/dbraw/zinc/33/29/40/525332940.db2.gz QGTLHAQYCSAIID-GXTWGEPZSA-N -1 3 261.365 3.351 20 0 CGADHM CSC[C@@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000081458625 525615195 /nfs/dbraw/zinc/61/51/95/525615195.db2.gz UILLGIQSDPHKCE-SSDOTTSWSA-N -1 3 293.310 3.349 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-]c2cccc(F)c2F)cc1 ZINC000049375374 525616240 /nfs/dbraw/zinc/61/62/40/525616240.db2.gz GKOZPJNDOWKPCE-UHFFFAOYSA-N -1 3 283.299 3.074 20 0 CGADHM C[C@@H](c1ccccc1F)[S@](=O)c1ccc([O-])cc1 ZINC000108085790 526107218 /nfs/dbraw/zinc/10/72/18/526107218.db2.gz HKYSFNLYFZNTNI-XTZNXHDOSA-N -1 3 264.321 3.400 20 0 CGADHM C=Cc1ccc(CCNC(=O)c2ccc([O-])c(OC)c2)cc1 ZINC000428279330 526272766 /nfs/dbraw/zinc/27/27/66/526272766.db2.gz YUWYCKZKPRYSDL-UHFFFAOYSA-N -1 3 297.354 3.016 20 0 CGADHM [O-]c1cc(F)cc(CN[C@H]2CCCc3occc32)c1 ZINC000184135307 526335625 /nfs/dbraw/zinc/33/56/25/526335625.db2.gz SYXRONJQGVNFKF-AWEZNQCLSA-N -1 3 261.296 3.292 20 0 CGADHM O=C(CCC1CC1)Nc1cc(Br)ccc1[O-] ZINC000085585913 526396869 /nfs/dbraw/zinc/39/68/69/526396869.db2.gz YAMCJGLDEBCROV-UHFFFAOYSA-N -1 3 284.153 3.283 20 0 CGADHM CC(=O)c1ccc(-c2nc(-c3ccc([O-])cc3)no2)c(F)c1 ZINC000436867664 527219070 /nfs/dbraw/zinc/21/90/70/527219070.db2.gz DSJUHUPDTXLJCP-UHFFFAOYSA-N -1 3 298.273 3.451 20 0 CGADHM CC(=O)c1ccc(C(=O)N[C@@H]2CC[C@@H](C)[C@@H](C)C2)cc1[O-] ZINC000412242781 527262552 /nfs/dbraw/zinc/26/25/52/527262552.db2.gz ADFVGWQCQJVLED-UHIISALHSA-N -1 3 289.375 3.149 20 0 CGADHM CC(C)(NC(=O)c1ccccc1[O-])c1ccc(F)c(F)c1 ZINC000436590291 527287103 /nfs/dbraw/zinc/28/71/03/527287103.db2.gz RTYSHWDIFWSZGJ-UHFFFAOYSA-N -1 3 291.297 3.336 20 0 CGADHM O=[S@](Cc1ccc(OC(F)F)cc1)c1ccc([O-])cc1 ZINC000108082794 527428619 /nfs/dbraw/zinc/42/86/19/527428619.db2.gz LEZAEQWKGOTDMA-FQEVSTJZSA-N -1 3 298.310 3.301 20 0 CGADHM O=C(Nc1ncccc1[O-])c1scnc1C1CCCC1 ZINC000184437840 527521487 /nfs/dbraw/zinc/52/14/87/527521487.db2.gz PCPGYHNNYSBDCQ-UHFFFAOYSA-N -1 3 289.360 3.154 20 0 CGADHM C/C(=C\c1ccccc1)CN(C)C(=O)c1ccc(O)cc1[O-] ZINC000436821109 527531849 /nfs/dbraw/zinc/53/18/49/527531849.db2.gz UMNUVJONWVADPH-JLHYYAGUSA-N -1 3 297.354 3.273 20 0 CGADHM CC(C)(C)C[C@@H](NCc1ccsc1Cl)C(=O)[O-] ZINC000426775597 527694216 /nfs/dbraw/zinc/69/42/16/527694216.db2.gz BTKILSPNTCVWJF-SECBINFHSA-N -1 3 275.801 3.381 20 0 CGADHM CC(C)CC[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000158340878 527857802 /nfs/dbraw/zinc/85/78/02/527857802.db2.gz XDZVXXKEGXSVJJ-CYBMUJFWSA-N -1 3 261.365 3.433 20 0 CGADHM CC1(C[N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000358870503 527985225 /nfs/dbraw/zinc/98/52/25/527985225.db2.gz CGXRJLZRQZLZOI-UHFFFAOYSA-N -1 3 294.203 3.072 20 0 CGADHM CCC[C@H](C)C[C@H](NCc1ccc(Cl)o1)C(=O)[O-] ZINC000417571719 528039175 /nfs/dbraw/zinc/03/91/75/528039175.db2.gz XWUFIODGNXWQCG-ONGXEEELSA-N -1 3 273.760 3.302 20 0 CGADHM CC(C)c1ccc(C(=O)N2CCC[C@@H]2C(F)F)c([O-])c1 ZINC000436701313 528062683 /nfs/dbraw/zinc/06/26/83/528062683.db2.gz YPWANBTVHBHSHC-GFCCVEGCSA-N -1 3 283.318 3.385 20 0 CGADHM CC(C)c1ccc(C(=O)N[C@@H]2CC=CCC2)c([O-])c1 ZINC000436533592 528076128 /nfs/dbraw/zinc/07/61/28/528076128.db2.gz GOGFNQLOAIOLGH-CYBMUJFWSA-N -1 3 259.349 3.354 20 0 CGADHM CC(C)c1ccc(C(=O)N[C@H]2CCCSC2)c([O-])c1 ZINC000436570879 528078114 /nfs/dbraw/zinc/07/81/14/528078114.db2.gz BKYILIIRXSKBBG-LBPRGKRZSA-N -1 3 279.405 3.141 20 0 CGADHM CC(C)[C@@H](C(=O)[O-])[C@@H](C)NCc1ccsc1Cl ZINC000424628401 528377537 /nfs/dbraw/zinc/37/75/37/528377537.db2.gz WVDIRWOEXSAOPJ-PSASIEDQSA-N -1 3 275.801 3.236 20 0 CGADHM CCC[C@]1(COC)CCCN1C(=O)c1ccc(C)cc1[O-] ZINC000436726455 528526319 /nfs/dbraw/zinc/52/63/19/528526319.db2.gz XUMFIJMRGSSMNC-QGZVFWFLSA-N -1 3 291.391 3.122 20 0 CGADHM CCN(Cc1ccccc1)C(=O)c1ccc([O-])c(OC)c1 ZINC000436640890 528828561 /nfs/dbraw/zinc/82/85/61/528828561.db2.gz ZUTARJIBXHNEMJ-UHFFFAOYSA-N -1 3 285.343 3.063 20 0 CGADHM CCN(Cc1occc1C)C(=O)c1ccc(C)cc1[O-] ZINC000412792595 528914460 /nfs/dbraw/zinc/91/44/60/528914460.db2.gz FERRBVBHARWGGC-UHFFFAOYSA-N -1 3 273.332 3.264 20 0 CGADHM CC(C)[C@H](CNC(=O)c1ccccc1[O-])Nc1ccccc1 ZINC000436856821 529011009 /nfs/dbraw/zinc/01/10/09/529011009.db2.gz UXQWAQYXJBUPID-INIZCTEOSA-N -1 3 298.386 3.259 20 0 CGADHM CCS[C@@H]1CCCCN(C(=O)c2ccc([O-])c(C)c2)C1 ZINC000436898852 529206479 /nfs/dbraw/zinc/20/64/79/529206479.db2.gz AMAZFTLXDRPFTB-CQSZACIVSA-N -1 3 293.432 3.448 20 0 CGADHM CCS[C@@H]1CC[C@@H](N(C)C(=O)c2cccc(C)c2[O-])C1 ZINC000175392421 529219232 /nfs/dbraw/zinc/21/92/32/529219232.db2.gz LPIYJALJPCKYMG-CHWSQXEVSA-N -1 3 293.432 3.447 20 0 CGADHM CC[C@H](C)c1cc(C(=O)Nc2cc(F)ccc2[O-])on1 ZINC000178326237 529273059 /nfs/dbraw/zinc/27/30/59/529273059.db2.gz NHDZIFKGOLCXCQ-QMMMGPOBSA-N -1 3 278.283 3.285 20 0 CGADHM CC[C@@H]1CCC[C@@H](CNCc2nc(C)c(C(=O)[O-])s2)C1 ZINC000426679993 529302406 /nfs/dbraw/zinc/30/24/06/529302406.db2.gz YSYKDLMJSQUNBZ-VXGBXAGGSA-N -1 3 296.436 3.456 20 0 CGADHM CC[C@@H]1CCC[C@@H](NC(=O)c2ccc(C(C)=O)c([O-])c2)C1 ZINC000412136099 529304813 /nfs/dbraw/zinc/30/48/13/529304813.db2.gz UKDITZNHGIBFAN-TZMCWYRMSA-N -1 3 289.375 3.293 20 0 CGADHM CC[C@@H](C)C[C@H](C)NC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000412142842 529336821 /nfs/dbraw/zinc/33/68/21/529336821.db2.gz CJRREVRWLZVLMJ-MNOVXSKESA-N -1 3 277.364 3.149 20 0 CGADHM CC1(C)[C@@H]2CN(Cc3cccc([O-])c3Br)C[C@@H]21 ZINC000459336871 535042793 /nfs/dbraw/zinc/04/27/93/535042793.db2.gz AYZNPQQZTDHQIY-PHIMTYICSA-N -1 3 296.208 3.243 20 0 CGADHM CC(C)c1ccc(CCC(=O)Nc2ncccc2[O-])cc1 ZINC000514573580 535371048 /nfs/dbraw/zinc/37/10/48/535371048.db2.gz YQCSGRVKINZTAO-UHFFFAOYSA-N -1 3 284.359 3.482 20 0 CGADHM CC[C@@H](C)C(=O)N=c1cc(-c2cc(C)cc(C)c2)[n-][nH]1 ZINC000517632404 535459094 /nfs/dbraw/zinc/45/90/94/535459094.db2.gz BRCAKOZUHXJWPT-GFCCVEGCSA-N -1 3 271.364 3.100 20 0 CGADHM CCO/C=C/C(=O)Nc1cc(Cc2ccccc2)ccc1[O-] ZINC000493272751 535538980 /nfs/dbraw/zinc/53/89/80/535538980.db2.gz OPBKSNFVNYPTOA-ZHACJKMWSA-N -1 3 297.354 3.472 20 0 CGADHM CCc1cc(C(=O)NCCCSCC(C)C)ccc1[O-] ZINC000486808298 536119950 /nfs/dbraw/zinc/11/99/50/536119950.db2.gz CBTPPXMAGUKJNY-UHFFFAOYSA-N -1 3 295.448 3.464 20 0 CGADHM CCc1cc(C(=O)NCc2ccc(C)c(F)c2)ccc1[O-] ZINC000485690892 536124431 /nfs/dbraw/zinc/12/44/31/536124431.db2.gz CJGONCFHQHBEFK-UHFFFAOYSA-N -1 3 287.334 3.332 20 0 CGADHM CCc1cc(=O)[n-]c(CSCCOc2ccccc2)n1 ZINC000125519722 536155363 /nfs/dbraw/zinc/15/53/63/536155363.db2.gz BAZQWYGHOYSZBP-UHFFFAOYSA-N -1 3 290.388 3.057 20 0 CGADHM COc1cccc(C(=O)N2C[C@H](C(C)C)[C@@H]2C(C)C)c1[O-] ZINC000456286006 537083489 /nfs/dbraw/zinc/08/34/89/537083489.db2.gz JVVMBFYXRQADGE-HIFRSBDPSA-N -1 3 291.391 3.153 20 0 CGADHM COc1ccc(NC(=O)c2scnc2C(C)C)c([O-])c1 ZINC000451022853 571717557 /nfs/dbraw/zinc/71/75/57/571717557.db2.gz CUYZPZJXZNHJMM-UHFFFAOYSA-N -1 3 292.360 3.233 20 0 CGADHM CC[C@H](CC(F)(F)F)C(=O)Nc1ccc(OC)cc1[O-] ZINC000451026381 571717668 /nfs/dbraw/zinc/71/76/68/571717668.db2.gz NJJXJZVSHMXXJY-MRVPVSSYSA-N -1 3 291.269 3.318 20 0 CGADHM C[C@@H]1CSC[C@H]1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000335896686 571771230 /nfs/dbraw/zinc/77/12/30/571771230.db2.gz VVRONFPVINGAPW-QMTHXVAHSA-N -1 3 287.384 3.027 20 0 CGADHM COc1ccc(NC(=O)c2sccc2Cl)c([O-])c1 ZINC000335902057 571773051 /nfs/dbraw/zinc/77/30/51/571773051.db2.gz VFVGTMBGFMNHOT-UHFFFAOYSA-N -1 3 283.736 3.368 20 0 CGADHM Cc1ccc(OCc2ccc(F)cc2-c2nnn[n-]2)c(C)c1 ZINC000737366901 572338897 /nfs/dbraw/zinc/33/88/97/572338897.db2.gz YNZPSASXDYEDID-UHFFFAOYSA-N -1 3 298.321 3.202 20 0 CGADHM Cc1ccc(OCc2ccc(F)cc2-c2nn[n-]n2)c(C)c1 ZINC000737366901 572338899 /nfs/dbraw/zinc/33/88/99/572338899.db2.gz YNZPSASXDYEDID-UHFFFAOYSA-N -1 3 298.321 3.202 20 0 CGADHM c1ccc2c(c1)nc(NC1CCCCC1)cc2-c1nnn[n-]1 ZINC000738432100 572375724 /nfs/dbraw/zinc/37/57/24/572375724.db2.gz DZXATFORWHEWRU-UHFFFAOYSA-N -1 3 294.362 3.160 20 0 CGADHM c1ccc2c(c1)nc(NC1CCCCC1)cc2-c1nn[n-]n1 ZINC000738432100 572375726 /nfs/dbraw/zinc/37/57/26/572375726.db2.gz DZXATFORWHEWRU-UHFFFAOYSA-N -1 3 294.362 3.160 20 0 CGADHM C[C@@H](NC[C@@H]1CCCN(C(=O)[O-])C1)c1cc(F)ccc1F ZINC000739036273 572399346 /nfs/dbraw/zinc/39/93/46/572399346.db2.gz RYJRKGXJURWEPF-MNOVXSKESA-N -1 3 298.333 3.005 20 0 CGADHM C[C@@H](c1cccc(Cl)c1)N1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000739055673 572400808 /nfs/dbraw/zinc/40/08/08/572400808.db2.gz HPIRIZVMVXBWEI-RYUDHWBXSA-N -1 3 296.798 3.333 20 0 CGADHM C[C@H](c1ccccc1Cl)N1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000739171461 572402882 /nfs/dbraw/zinc/40/28/82/572402882.db2.gz CBZCOSFNKZCNHI-JTNHKYCSSA-N -1 3 296.798 3.379 20 0 CGADHM O=C([O-])C1(NCc2ccc(F)cc2Cl)CCCCC1 ZINC000739513362 572418694 /nfs/dbraw/zinc/41/86/94/572418694.db2.gz HSXUBTWNBQUYLI-UHFFFAOYSA-N -1 3 285.746 3.356 20 0 CGADHM [O-]c1ccc(-c2noc(-c3scnc3Cl)n2)cc1 ZINC000731790096 572426702 /nfs/dbraw/zinc/42/67/02/572426702.db2.gz MKSPQGZZFKKQKF-UHFFFAOYSA-N -1 3 279.708 3.219 20 0 CGADHM CCCC[C@@H](CCC)OC(=O)c1cncc([O-])c1 ZINC000732395013 572461933 /nfs/dbraw/zinc/46/19/33/572461933.db2.gz ZLXDJLCWXQNMED-CYBMUJFWSA-N -1 3 251.326 3.303 20 0 CGADHM CC[C@@H](NC[C@@H]1CCCN1C(=O)[O-])c1ccc(F)cc1 ZINC000739275549 572539297 /nfs/dbraw/zinc/53/92/97/572539297.db2.gz ZTQJRMVSDZCVBE-UONOGXRCSA-N -1 3 280.343 3.009 20 0 CGADHM O=c1ccnc(C=Cc2ccccc2Br)[n-]1 ZINC000742220240 572559402 /nfs/dbraw/zinc/55/94/02/572559402.db2.gz MHYBMUIJCAQHLJ-AATRIKPKSA-N -1 3 277.121 3.115 20 0 CGADHM C[C@@H]1CCC[C@H](Nc2ccc(-c3nnn[n-]3)cc2)[C@@H]1C ZINC000736247566 572777175 /nfs/dbraw/zinc/77/71/75/572777175.db2.gz ACXOAAVUVDREMT-GYSYKLTISA-N -1 3 271.368 3.103 20 0 CGADHM C[C@@H]1CCC[C@H](Nc2ccc(-c3nn[n-]n3)cc2)[C@@H]1C ZINC000736247566 572777178 /nfs/dbraw/zinc/77/71/78/572777178.db2.gz ACXOAAVUVDREMT-GYSYKLTISA-N -1 3 271.368 3.103 20 0 CGADHM C[C@H]1CCC[C@H]1Nc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000736263382 572777895 /nfs/dbraw/zinc/77/78/95/572777895.db2.gz PUKGOYWWALXSFS-GZMMTYOYSA-N -1 3 277.759 3.121 20 0 CGADHM C[C@H]1CCC[C@H]1Nc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000736263382 572777900 /nfs/dbraw/zinc/77/79/00/572777900.db2.gz PUKGOYWWALXSFS-GZMMTYOYSA-N -1 3 277.759 3.121 20 0 CGADHM C[C@H]1CCC[C@@H]1Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000736262616 572778142 /nfs/dbraw/zinc/77/81/42/572778142.db2.gz NLWJJKXLZVAZGF-KWQFWETISA-N -1 3 277.759 3.121 20 0 CGADHM C[C@H]1CCC[C@@H]1Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000736262616 572778148 /nfs/dbraw/zinc/77/81/48/572778148.db2.gz NLWJJKXLZVAZGF-KWQFWETISA-N -1 3 277.759 3.121 20 0 CGADHM CCC[C@H]1CCCC[C@H]1Nc1ncccc1-c1nnn[n-]1 ZINC000736435370 572791076 /nfs/dbraw/zinc/79/10/76/572791076.db2.gz LELSERNTYVLHCT-WCQYABFASA-N -1 3 286.383 3.033 20 0 CGADHM CCC[C@H]1CCCC[C@H]1Nc1ncccc1-c1nn[n-]n1 ZINC000736435370 572791081 /nfs/dbraw/zinc/79/10/81/572791081.db2.gz LELSERNTYVLHCT-WCQYABFASA-N -1 3 286.383 3.033 20 0 CGADHM CCCCNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000736461941 572794934 /nfs/dbraw/zinc/79/49/34/572794934.db2.gz WWBCRMNKHSQMSD-UHFFFAOYSA-N -1 3 285.273 3.098 20 0 CGADHM CCCCNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000736461941 572794937 /nfs/dbraw/zinc/79/49/37/572794937.db2.gz WWBCRMNKHSQMSD-UHFFFAOYSA-N -1 3 285.273 3.098 20 0 CGADHM CCCC[C@@H](N[C@H](C)c1cc(F)ccc1OC)C(=O)[O-] ZINC000736981909 572831680 /nfs/dbraw/zinc/83/16/80/572831680.db2.gz KDSUWNSMQRNCKS-ZWNOBZJWSA-N -1 3 283.343 3.128 20 0 CGADHM Cc1cc(C)cc(CCNc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737253392 572868327 /nfs/dbraw/zinc/86/83/27/572868327.db2.gz RCMSALJCCBPPFK-UHFFFAOYSA-N -1 3 293.374 3.138 20 0 CGADHM Cc1cc(C)cc(CCNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737253392 572868330 /nfs/dbraw/zinc/86/83/30/572868330.db2.gz RCMSALJCCBPPFK-UHFFFAOYSA-N -1 3 293.374 3.138 20 0 CGADHM CCCCSCC(=O)Nc1cc(F)ccc1[O-] ZINC000748854761 572986922 /nfs/dbraw/zinc/98/69/22/572986922.db2.gz YLSCQJQPTFTAFQ-UHFFFAOYSA-N -1 3 257.330 3.003 20 0 CGADHM CCCCn1c(=O)[n-]nc1SCCc1cccs1 ZINC000749457139 573006555 /nfs/dbraw/zinc/00/65/55/573006555.db2.gz BTCLNLOEYZWXEC-UHFFFAOYSA-N -1 3 283.422 3.180 20 0 CGADHM COc1ccccc1[C@H](C)NCc1ccc(C(=O)[O-])cc1 ZINC000087846440 597243840 /nfs/dbraw/zinc/24/38/40/597243840.db2.gz VVLXBLIOYIYWLJ-LBPRGKRZSA-N -1 3 285.343 3.244 20 0 CGADHM O=C([O-])c1ccc(CN[C@H]2CCc3c2cccc3F)cc1 ZINC000819676100 597457764 /nfs/dbraw/zinc/45/77/64/597457764.db2.gz SKZPVRHHAFOXPI-INIZCTEOSA-N -1 3 285.318 3.301 20 0 CGADHM C[C@@H](NCc1cccc(C(=O)[O-])c1)c1cccc(F)c1 ZINC000235214907 598192554 /nfs/dbraw/zinc/19/25/54/598192554.db2.gz HLSLRNYRHLMINU-LLVKDONJSA-N -1 3 273.307 3.375 20 0 CGADHM CC[C@H](N[C@@H](C)CC(=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000820284976 598216359 /nfs/dbraw/zinc/21/63/59/598216359.db2.gz JYJKTLRAIDSRFR-BQBZGAKWSA-N -1 3 296.314 3.066 20 0 CGADHM Clc1cc(NCC2CCCC2)ccc1-c1nnn[n-]1 ZINC000737567139 598639759 /nfs/dbraw/zinc/63/97/59/598639759.db2.gz XXILATODAFORFO-UHFFFAOYSA-N -1 3 277.759 3.122 20 0 CGADHM Clc1cc(NCC2CCCC2)ccc1-c1nn[n-]n1 ZINC000737567139 598639761 /nfs/dbraw/zinc/63/97/61/598639761.db2.gz XXILATODAFORFO-UHFFFAOYSA-N -1 3 277.759 3.122 20 0 CGADHM CCCCCNc1c(Cl)cccc1-c1nnn[n-]1 ZINC000821056718 599463150 /nfs/dbraw/zinc/46/31/50/599463150.db2.gz WZQSLGHLIGUEET-UHFFFAOYSA-N -1 3 265.748 3.122 20 0 CGADHM CCCCCNc1c(Cl)cccc1-c1nn[n-]n1 ZINC000821056718 599463152 /nfs/dbraw/zinc/46/31/52/599463152.db2.gz WZQSLGHLIGUEET-UHFFFAOYSA-N -1 3 265.748 3.122 20 0 CGADHM Cc1cccc(NCc2ccc(-c3nnn[n-]3)cc2)c1Cl ZINC000822323830 599691568 /nfs/dbraw/zinc/69/15/68/599691568.db2.gz OPHCNESPQGONFZ-UHFFFAOYSA-N -1 3 299.765 3.441 20 0 CGADHM Cc1cccc(NCc2ccc(-c3nn[n-]n3)cc2)c1Cl ZINC000822323830 599691569 /nfs/dbraw/zinc/69/15/69/599691569.db2.gz OPHCNESPQGONFZ-UHFFFAOYSA-N -1 3 299.765 3.441 20 0 CGADHM O=C([O-])c1ccc(CCNc2ccnc3ccccc32)cc1 ZINC000386917848 600179888 /nfs/dbraw/zinc/17/98/88/600179888.db2.gz LQEIFWHHTVEXPU-UHFFFAOYSA-N -1 3 292.338 3.010 20 0 CGADHM CC[C@@](NCc1ccccc1F)(C(=O)[O-])c1ccccc1 ZINC000041762577 600303628 /nfs/dbraw/zinc/30/36/28/600303628.db2.gz RQCGGVUMFOXEIL-KRWDZBQOSA-N -1 3 287.334 3.305 20 0 CGADHM CC[C@](C)(CC(=O)[O-])NCc1c(F)cccc1Cl ZINC000828665553 601556323 /nfs/dbraw/zinc/55/63/23/601556323.db2.gz UPCPXNQQFNRNSC-CYBMUJFWSA-N -1 3 273.735 3.212 20 0 CGADHM Cc1[n-]n(-c2cc(F)cc(F)c2F)c(=O)c1C(C)C ZINC000899356237 620652197 /nfs/dbraw/zinc/65/21/97/620652197.db2.gz IRLJMOWXTBQJPS-NSHDSACASA-N -1 3 270.254 3.099 20 0 CGADHM Cc1[n-]n([C@@H]2CCc3c2cccc3F)c(=O)c1C(C)C ZINC000899356610 620652790 /nfs/dbraw/zinc/65/27/90/620652790.db2.gz NVTLVTVMYOLKER-CABCVRRESA-N -1 3 274.339 3.303 20 0 CGADHM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C/C(Cl)=C\Cl ZINC000252637903 602033824 /nfs/dbraw/zinc/03/38/24/602033824.db2.gz IEYQPAQAHHLYCR-FNTGERGOSA-N -1 3 278.179 3.023 20 0 CGADHM Cc1[n-]n(-c2c(F)cc(F)cc2F)c(=O)c1C(C)C ZINC000899361780 620665882 /nfs/dbraw/zinc/66/58/82/620665882.db2.gz CXZJTWNGEBGIEE-NSHDSACASA-N -1 3 270.254 3.099 20 0 CGADHM C[C@H](NC[C@@H]1CCCN1C(=O)[O-])c1ccc2ccccc2n1 ZINC000825490248 604296096 /nfs/dbraw/zinc/29/60/96/604296096.db2.gz JWQSVFIDVBUSAE-JSGCOSHPSA-N -1 3 299.374 3.028 20 0 CGADHM CCc1oc(C(=O)[O-])cc1CN1CCC(C(F)F)CC1 ZINC000830362964 604393404 /nfs/dbraw/zinc/39/34/04/604393404.db2.gz LSZLJZJSKZYOQH-UHFFFAOYSA-N -1 3 287.306 3.017 20 0 CGADHM CC(C)c1ccc(CNCc2ccoc2C(=O)[O-])cc1 ZINC000232772415 604914279 /nfs/dbraw/zinc/91/42/79/604914279.db2.gz HGFQSPAKNOSPIW-UHFFFAOYSA-N -1 3 273.332 3.391 20 0 CGADHM CC1(C)C[C@H](NCc2ccoc2C(=O)[O-])c2ccccc21 ZINC000833557192 605118386 /nfs/dbraw/zinc/11/83/86/605118386.db2.gz PFDMSXBZFSIVFX-AWEZNQCLSA-N -1 3 285.343 3.490 20 0 CGADHM C[C@@H](NCc1ccc(C(=O)[O-])c(F)c1)c1ccccc1 ZINC000235217026 605123344 /nfs/dbraw/zinc/12/33/44/605123344.db2.gz IZABUZSNUIIULC-LLVKDONJSA-N -1 3 273.307 3.375 20 0 CGADHM C/C(=C\CNC1(c2ccc(F)cc2F)CCCC1)C(=O)[O-] ZINC000833386219 605172379 /nfs/dbraw/zinc/17/23/79/605172379.db2.gz WAVSHHIMJYOJOM-IZZDOVSWSA-N -1 3 295.329 3.355 20 0 CGADHM CCc1cnccc1[C@@H](C)NCc1ccsc1C(=O)[O-] ZINC000833673783 605270908 /nfs/dbraw/zinc/27/09/08/605270908.db2.gz NCQZOTRDVDXJFL-SNVBAGLBSA-N -1 3 290.388 3.255 20 0 CGADHM Cc1csc([C@H](C)N[C@H](C)C[C@@H]2CCCN2C(=O)[O-])n1 ZINC000830655693 605498551 /nfs/dbraw/zinc/49/85/51/605498551.db2.gz VHODJWVSQPTUAA-USWWRNFRSA-N -1 3 297.424 3.023 20 0 CGADHM COc1cccc(CSc2cccc(-c3nnn[n-]3)c2)c1 ZINC000821871849 606326181 /nfs/dbraw/zinc/32/61/81/606326181.db2.gz GISYPPBOEVSFEE-UHFFFAOYSA-N -1 3 298.371 3.168 20 0 CGADHM COc1cccc(CSc2cccc(-c3nn[n-]n3)c2)c1 ZINC000821871849 606326182 /nfs/dbraw/zinc/32/61/82/606326182.db2.gz GISYPPBOEVSFEE-UHFFFAOYSA-N -1 3 298.371 3.168 20 0 CGADHM CCN(Cc1cccc(-c2nnn[n-]2)c1)c1ccccc1C ZINC000821221577 606658874 /nfs/dbraw/zinc/65/88/74/606658874.db2.gz KBEVEMCABVTLSX-UHFFFAOYSA-N -1 3 293.374 3.202 20 0 CGADHM CCN(Cc1cccc(-c2nn[n-]n2)c1)c1ccccc1C ZINC000821221577 606658875 /nfs/dbraw/zinc/65/88/75/606658875.db2.gz KBEVEMCABVTLSX-UHFFFAOYSA-N -1 3 293.374 3.202 20 0 CGADHM Cc1ccc(NCc2cc(-c3nnn[n-]3)cs2)c(C)c1 ZINC000822254739 607128889 /nfs/dbraw/zinc/12/88/89/607128889.db2.gz PYSSZLPJVJCOBX-UHFFFAOYSA-N -1 3 285.376 3.157 20 0 CGADHM Cc1ccc(NCc2cc(-c3nn[n-]n3)cs2)c(C)c1 ZINC000822254739 607128892 /nfs/dbraw/zinc/12/88/92/607128892.db2.gz PYSSZLPJVJCOBX-UHFFFAOYSA-N -1 3 285.376 3.157 20 0 CGADHM CCOCCCSc1ccc(-c2nnn[n-]2)cc1Cl ZINC000825594975 607844384 /nfs/dbraw/zinc/84/43/84/607844384.db2.gz SKUZCZLPYBZLCU-UHFFFAOYSA-N -1 3 298.799 3.039 20 0 CGADHM CCOCCCSc1ccc(-c2nn[n-]n2)cc1Cl ZINC000825594975 607844385 /nfs/dbraw/zinc/84/43/85/607844385.db2.gz SKUZCZLPYBZLCU-UHFFFAOYSA-N -1 3 298.799 3.039 20 0 CGADHM C[C@H](Nc1ccc2cc(-c3nnn[n-]3)ccc2n1)C1CCC1 ZINC000824656211 608234394 /nfs/dbraw/zinc/23/43/94/608234394.db2.gz JBDBQZNXDVIHCG-JTQLQIEISA-N -1 3 294.362 3.015 20 0 CGADHM C[C@H](Nc1ccc2cc(-c3nn[n-]n3)ccc2n1)C1CCC1 ZINC000824656211 608234396 /nfs/dbraw/zinc/23/43/96/608234396.db2.gz JBDBQZNXDVIHCG-JTQLQIEISA-N -1 3 294.362 3.015 20 0 CGADHM CC(C)Cc1coc(NC(=O)c2cc([O-])ccc2Cl)n1 ZINC000899448528 620699940 /nfs/dbraw/zinc/69/99/40/620699940.db2.gz WAHBFHFTGFPENP-UHFFFAOYSA-N -1 3 294.738 3.484 20 0 CGADHM Cc1ccc(F)cc1CNc1cc(-c2nnn[n-]2)ccc1C ZINC000826289543 609482770 /nfs/dbraw/zinc/48/27/70/609482770.db2.gz FEXZHJHYIMMEQI-UHFFFAOYSA-N -1 3 297.337 3.235 20 0 CGADHM Cc1ccc(F)cc1CNc1cc(-c2nn[n-]n2)ccc1C ZINC000826289543 609482773 /nfs/dbraw/zinc/48/27/73/609482773.db2.gz FEXZHJHYIMMEQI-UHFFFAOYSA-N -1 3 297.337 3.235 20 0 CGADHM Cc1oc(C(C)(C)C)cc1CN[C@H]1C=C[C@H](C(=O)[O-])C1 ZINC000900042122 620751467 /nfs/dbraw/zinc/75/14/67/620751467.db2.gz QSZUNWAHFDBZDB-AAEUAGOBSA-N -1 3 277.364 3.004 20 0 CGADHM COc1cccc([O-])c1C(=O)N(C)CCCc1ccccc1 ZINC000900210452 620771362 /nfs/dbraw/zinc/77/13/62/620771362.db2.gz YEXFBOSTUIBQGO-UHFFFAOYSA-N -1 3 299.370 3.106 20 0 CGADHM Cc1ccc(N(C)C(=O)c2cccc(C)c2[O-])cc1 ZINC000050009644 618038714 /nfs/dbraw/zinc/03/87/14/618038714.db2.gz KVIZCIYADUFVNS-UHFFFAOYSA-N -1 3 255.317 3.286 20 0 CGADHM COCc1nc(N[C@H](C)c2ccccc2Cl)cc(=O)[n-]1 ZINC000891492266 618231554 /nfs/dbraw/zinc/23/15/54/618231554.db2.gz DJTYYZWVBWJKKD-SECBINFHSA-N -1 3 293.754 3.155 20 0 CGADHM COCc1nc(N[C@@H](C)c2ccc(Cl)cc2)cc(=O)[n-]1 ZINC000891496215 618232569 /nfs/dbraw/zinc/23/25/69/618232569.db2.gz XJHVKTDSXYJBNM-VIFPVBQESA-N -1 3 293.754 3.155 20 0 CGADHM C[C@]1(C(=O)[O-])CCCN(Cc2cc(Cl)cs2)C1 ZINC000093097099 618395457 /nfs/dbraw/zinc/39/54/57/618395457.db2.gz QDBSDCVKYLSMJU-LBPRGKRZSA-N -1 3 273.785 3.088 20 0 CGADHM Cc1ccc([C@H]2COCCN2Cc2ccc([O-])c(F)c2)o1 ZINC000892058163 618509310 /nfs/dbraw/zinc/50/93/10/618509310.db2.gz QXNBMQQMTSUVEF-CQSZACIVSA-N -1 3 291.322 3.006 20 0 CGADHM CC/C=C(/C)C(=O)Nc1cc(Br)ccc1[O-] ZINC000255577857 618722286 /nfs/dbraw/zinc/72/22/86/618722286.db2.gz XZJJNWAFBCKVEN-YWEYNIOJSA-N -1 3 284.153 3.450 20 0 CGADHM CC[C@@H](CC(=O)[N-]OCCC(F)(F)F)C(C)C ZINC000162855222 618883139 /nfs/dbraw/zinc/88/31/39/618883139.db2.gz LEFALYLFECWLOT-VIFPVBQESA-N -1 3 255.280 3.059 20 0 CGADHM Cc1ccc(NC(=O)c2cc(=O)c3ccccc3o2)c([O-])c1 ZINC000003357100 618888680 /nfs/dbraw/zinc/88/86/80/618888680.db2.gz MPSQJQZIVLKIRE-UHFFFAOYSA-N -1 3 295.294 3.059 20 0 CGADHM CCC(=O)[C@H](C)OC(=O)c1cccc2[n-]c(C(F)F)nc21 ZINC000924085624 618934147 /nfs/dbraw/zinc/93/41/47/618934147.db2.gz MYJJNHSCWGVSCI-ZETCQYMHSA-N -1 3 296.273 3.025 20 0 CGADHM CC[C@@](C)(NCc1ccc([O-])c(F)c1)c1nccs1 ZINC000892992220 618971776 /nfs/dbraw/zinc/97/17/76/618971776.db2.gz SQXDNQCWVDNJIV-CQSZACIVSA-N -1 3 280.368 3.403 20 0 CGADHM CCCCCC[C@H](C)C(=O)N1CCCc2c(=O)[n-]cnc21 ZINC000893215650 619031509 /nfs/dbraw/zinc/03/15/09/619031509.db2.gz IQSSDILDAJEEFI-LBPRGKRZSA-N -1 3 291.395 3.068 20 0 CGADHM CN(CCCF)C(=O)c1cc2sccc2c([O-])c1 ZINC000925547153 619045526 /nfs/dbraw/zinc/04/55/26/619045526.db2.gz SUPURMFBFJXVSQ-UHFFFAOYSA-N -1 3 267.325 3.039 20 0 CGADHM C[C@@H]1C[C@@H]1c1ccc(CN2CCC(CC(=O)[O-])CC2)o1 ZINC000093682263 619209959 /nfs/dbraw/zinc/20/99/59/619209959.db2.gz ZTMMPYKQYNRDIY-RISCZKNCSA-N -1 3 277.364 3.090 20 0 CGADHM CC(C)[C@H](NCc1ccc([O-])c(F)c1)C(F)(F)F ZINC000893948443 619338946 /nfs/dbraw/zinc/33/89/46/619338946.db2.gz SFCFELMNSAIOFK-NSHDSACASA-N -1 3 265.250 3.208 20 0 CGADHM O=C(c1ccc(O)cc1[O-])N1C[C@@H]2CC[C@H]1c1ccccc12 ZINC000893969664 619341793 /nfs/dbraw/zinc/34/17/93/619341793.db2.gz PCVRMLWCLJCELG-ZBEGNZNMSA-N -1 3 295.338 3.172 20 0 CGADHM Cc1nc(NC2CCC(OC(C)(C)C)CC2)cc(=O)[n-]1 ZINC000894926287 619685127 /nfs/dbraw/zinc/68/51/27/619685127.db2.gz SXJNUZJOMBAIPW-UHFFFAOYSA-N -1 3 279.384 3.029 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)CCCc1ccc(OC)cc1 ZINC000794841036 619776058 /nfs/dbraw/zinc/77/60/58/619776058.db2.gz BZDYDRZUOOMYDH-ZDUSSCGKSA-N -1 3 279.380 3.112 20 0 CGADHM CCCCC[C@@H](C)CC(=O)[N-]OCc1ccccn1 ZINC000909535803 620072105 /nfs/dbraw/zinc/07/21/05/620072105.db2.gz ODLWUJPCSFWYAT-CYBMUJFWSA-N -1 3 264.369 3.236 20 0 CGADHM Cn1c(Cl)cnc1C=Cc1cc(=O)[n-]c(C(C)(C)C)n1 ZINC000840719040 620182679 /nfs/dbraw/zinc/18/26/79/620182679.db2.gz HTMICIKDILZNLV-WAYWQWQTSA-N -1 3 292.770 3.037 20 0 CGADHM C[C@H]1C[C@@H](C(=O)[O-])CN(Cc2cc(F)cc(Cl)c2)C1 ZINC000263099197 620291610 /nfs/dbraw/zinc/29/16/10/620291610.db2.gz WHNGDFZCARYQOV-GXSJLCMTSA-N -1 3 285.746 3.022 20 0 CGADHM CCCc1ccc2nccc(N3CCC[C@H]3C(=O)[O-])c2c1 ZINC000263436709 620318772 /nfs/dbraw/zinc/31/87/72/620318772.db2.gz VPVVJTODMZFEII-INIZCTEOSA-N -1 3 284.359 3.241 20 0 CGADHM Cc1cc(C(C#N)=C([O-])C=C(C2CC2)C2CC2)nc(C)n1 ZINC000054451933 620342284 /nfs/dbraw/zinc/34/22/84/620342284.db2.gz OSQNUXPMPWQOOZ-OAHLLOKOSA-N -1 3 281.359 3.016 20 0 CGADHM CC[C@@H](C)CCCCC(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898217188 620488910 /nfs/dbraw/zinc/48/89/10/620488910.db2.gz FRMKPNXVGNROLZ-CHWSQXEVSA-N -1 3 293.411 3.038 20 0 CGADHM Cc1cccc(CO[N-]C(=O)CCCSC(C)(C)C)n1 ZINC000898934364 620610389 /nfs/dbraw/zinc/61/03/89/620610389.db2.gz MYDCPEWMXOFBIM-UHFFFAOYSA-N -1 3 296.436 3.250 20 0 CGADHM O=C(CC(F)(F)C(F)F)Nc1cc(Cl)ccc1[O-] ZINC000901163217 620839165 /nfs/dbraw/zinc/83/91/65/620839165.db2.gz RWEKEJFSYGTEJH-UHFFFAOYSA-N -1 3 285.624 3.275 20 0 CGADHM C[C@]1(C(=O)[O-])CCN(Cc2ccc(C(F)(F)F)s2)C1 ZINC000901512861 620921566 /nfs/dbraw/zinc/92/15/66/620921566.db2.gz KZROTXXAELXZGU-NSHDSACASA-N -1 3 293.310 3.064 20 0 CGADHM Cc1cc(=O)[n-]c(CSC[C@H]2CCCC3(CCC3)O2)n1 ZINC000901769069 621018339 /nfs/dbraw/zinc/01/83/39/621018339.db2.gz GZFKGQDZXXHICA-GFCCVEGCSA-N -1 3 294.420 3.216 20 0 CGADHM CC[C@](C)(CC(=O)[O-])NCc1ncc(C(C)(C)C)s1 ZINC000901794467 621030495 /nfs/dbraw/zinc/03/04/95/621030495.db2.gz TYLPHSFHJLUKEP-CQSZACIVSA-N -1 3 284.425 3.174 20 0 CGADHM CC[C@](NCc1ccoc1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000901872876 621054749 /nfs/dbraw/zinc/05/47/49/621054749.db2.gz NBTRSYWPJVQYAM-OAHLLOKOSA-N -1 3 293.750 3.413 20 0 CGADHM O=C([O-])CC[C@@H](CC1CCCCC1)NCc1cscn1 ZINC000901901683 621064590 /nfs/dbraw/zinc/06/45/90/621064590.db2.gz FAKULSRWDFXXMB-ZDUSSCGKSA-N -1 3 296.436 3.437 20 0 CGADHM C[C@@H]1C[C@H](N[C@H](CF)c2ccc(F)cc2)CC[C@@H]1C(=O)[O-] ZINC000902191456 621189003 /nfs/dbraw/zinc/18/90/03/621189003.db2.gz UOFJHRBXAWIUEC-QPKOPYBWSA-N -1 3 297.345 3.315 20 0 CGADHM CCc1oc(CN2CCCc3ccccc3C2)cc1C(=O)[O-] ZINC000902224725 621199592 /nfs/dbraw/zinc/19/95/92/621199592.db2.gz LJDZNYANPJNLBS-UHFFFAOYSA-N -1 3 299.370 3.489 20 0 CGADHM Cc1ncc([C@@H](C)NCc2cc(C(=O)[O-])cs2)s1 ZINC000902382683 621298616 /nfs/dbraw/zinc/29/86/16/621298616.db2.gz SMNASZPBSVBAHQ-SSDOTTSWSA-N -1 3 282.390 3.062 20 0 CGADHM Cc1ccc2c(c1)[C@@H](NCc1ccc(C(=O)[O-])o1)[C@H](C)C2 ZINC000902421042 621311090 /nfs/dbraw/zinc/31/10/90/621311090.db2.gz YHDNIXPBSBTNPC-BZNIZROVSA-N -1 3 285.343 3.309 20 0 CGADHM C[C@H]1CCCN1Cc1ccc(C(=O)[O-])cc1C(F)(F)F ZINC000902532180 621364871 /nfs/dbraw/zinc/36/48/71/621364871.db2.gz YBFITXSFOLYBBB-VIFPVBQESA-N -1 3 287.281 3.388 20 0 CGADHM C[C@@H](N[C@@H](C)c1cccc([O-])c1F)c1cncs1 ZINC000903304658 621678350 /nfs/dbraw/zinc/67/83/50/621678350.db2.gz BKZFBRUJAKFSOS-DTWKUNHWSA-N -1 3 266.341 3.400 20 0 CGADHM CC[C@@H](C)[C@H](C(=O)[O-])N1CCc2c3ccccc3[nH]c2C1 ZINC000903598735 621768400 /nfs/dbraw/zinc/76/84/00/621768400.db2.gz XUYINAISXIPNII-BDJLRTHQSA-N -1 3 286.375 3.025 20 0 CGADHM CC[C@H](C)[C@H](C(=O)[O-])N(C)Cc1cc2ccccc2o1 ZINC000903597349 621774818 /nfs/dbraw/zinc/77/48/18/621774818.db2.gz LTJSSLMUIKVVOU-XHDPSFHLSA-N -1 3 275.348 3.364 20 0 CGADHM CC(F)(F)CCCN1CCc2cc(C(=O)[O-])ccc2C1 ZINC000903617407 621775578 /nfs/dbraw/zinc/77/55/78/621775578.db2.gz WIDJYHKRHOGYIZ-UHFFFAOYSA-N -1 3 283.318 3.178 20 0 CGADHM C[C@H]1CSCCCN1Cc1c(Cl)cccc1C(=O)[O-] ZINC000903958108 621836636 /nfs/dbraw/zinc/83/66/36/621836636.db2.gz WFKHGSHNMUOXKS-JTQLQIEISA-N -1 3 299.823 3.366 20 0 CGADHM CCCC[C@H](CC)CCNCc1cc(C(=O)[O-])no1 ZINC000904054029 621860305 /nfs/dbraw/zinc/86/03/05/621860305.db2.gz JEYYJIAOYKXGMK-NSHDSACASA-N -1 3 268.357 3.069 20 0 CGADHM O=C([O-])[C@@H]1CCCN(Cc2ccc(C(F)F)c(F)c2)C1 ZINC000904250111 621891865 /nfs/dbraw/zinc/89/18/65/621891865.db2.gz YGILJWLBJPGVBY-SNVBAGLBSA-N -1 3 287.281 3.060 20 0 CGADHM O=C([O-])c1ccc(CN[C@H](c2ccncc2)C2CC2)s1 ZINC000904272710 621894901 /nfs/dbraw/zinc/89/49/01/621894901.db2.gz 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FXVWZQXHSSPIGN-WINAAZSOSA-N -1 3 299.414 3.497 20 0 CGADHM CC1(C)CCC[C@H]1OC(=O)Cc1ccc([O-])c(F)c1 ZINC000838146484 626197168 /nfs/dbraw/zinc/19/71/68/626197168.db2.gz SKQHQXWWQVNWSS-CYBMUJFWSA-N -1 3 266.312 3.196 20 0 CGADHM O=C(NCc1ccc([O-])c(F)c1)N1CCCCCCCC1 ZINC000838486239 626233644 /nfs/dbraw/zinc/23/36/44/626233644.db2.gz IJHYKXXWRCOIQI-UHFFFAOYSA-N -1 3 294.370 3.397 20 0 CGADHM O=C(Oc1ccc2c[nH]nc2c1)c1cc2ccsc2[n-]1 ZINC000754709322 626583442 /nfs/dbraw/zinc/58/34/42/626583442.db2.gz UPISKRZBDQIICN-UHFFFAOYSA-N -1 3 283.312 3.325 20 0 CGADHM CC(C)C[C@H](C)CC(=O)[N-]OCc1ccc(F)cc1 ZINC000754722939 626584805 /nfs/dbraw/zinc/58/48/05/626584805.db2.gz GHJFLERIFLDJNX-LBPRGKRZSA-N -1 3 267.344 3.446 20 0 CGADHM CCCCCC[C@@H](C)CC(=O)[N-]OCC(F)F ZINC000759330497 626887598 /nfs/dbraw/zinc/88/75/98/626887598.db2.gz HQZQGRJITCCKNF-SNVBAGLBSA-N -1 3 251.317 3.296 20 0 CGADHM CC(C)CCCO[N-]C(=O)CCCc1ccccc1 ZINC000762205495 627100960 /nfs/dbraw/zinc/10/09/60/627100960.db2.gz 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ULCDZSZVQKCOIJ-BHQIHCQQSA-N -1 3 279.264 3.091 20 0 CGADHM Cc1cc(=O)[n-]c(CSCCSC(C)(C)C)n1 ZINC000783565560 628726625 /nfs/dbraw/zinc/72/66/25/628726625.db2.gz NRBLIZQLDFNBEK-UHFFFAOYSA-N -1 3 272.439 3.256 20 0 CGADHM CC(C)(C(=O)Nc1ncccc1[O-])C1CCCCC1 ZINC000783644222 628734622 /nfs/dbraw/zinc/73/46/22/628734622.db2.gz BHLCNBXFGDNLNP-UHFFFAOYSA-N -1 3 262.353 3.332 20 0 CGADHM O=C(OC[C@H]1CC1(Cl)Cl)c1cc2occc2[n-]1 ZINC000786027361 628907837 /nfs/dbraw/zinc/90/78/37/628907837.db2.gz BTNVUYCOIKLDPP-ZCFIWIBFSA-N -1 3 274.103 3.112 20 0 CGADHM C[C@H]1CC[C@H](COC(=O)c2cc3sccc3c([O-])c2)O1 ZINC000786131871 628915435 /nfs/dbraw/zinc/91/54/35/628915435.db2.gz RWYHJGYYQFXQNN-GXSJLCMTSA-N -1 3 292.356 3.331 20 0 CGADHM CC(C)(C)OCCCCOC(=O)c1ccc([O-])cc1 ZINC000788999381 629095728 /nfs/dbraw/zinc/09/57/28/629095728.db2.gz BIPZXDQMNJLHDI-UHFFFAOYSA-N -1 3 266.337 3.144 20 0 CGADHM CC(Cl)(Cl)C(=O)[N-]CC(F)(F)c1ccccc1 ZINC000789321454 629124200 /nfs/dbraw/zinc/12/42/00/629124200.db2.gz GSFWPMFSSUQFTO-UHFFFAOYSA-N -1 3 282.117 3.088 20 0 CGADHM Cc1ccnc(COC(=O)c2cccc(Cl)c2[O-])c1 ZINC000791439020 629278130 /nfs/dbraw/zinc/27/81/30/629278130.db2.gz XESNTBSCWDNOJL-UHFFFAOYSA-N -1 3 277.707 3.106 20 0 CGADHM O=C(OCCCCCF)c1cc(F)cc(Cl)c1[O-] ZINC000791965473 629324513 /nfs/dbraw/zinc/32/45/13/629324513.db2.gz IODOYFFJUABJJE-UHFFFAOYSA-N -1 3 278.682 3.481 20 0 CGADHM O=C(NOCc1ccccc1)c1cc([O-])c2ccccc2c1 ZINC000792025979 629328995 /nfs/dbraw/zinc/32/89/95/629328995.db2.gz QDLXZEZPFLPSLH-UHFFFAOYSA-N -1 3 293.322 3.407 20 0 CGADHM O=C(c1cc2sccc2c([O-])c1)N(C1CC1)C1CC1 ZINC000862851162 629441760 /nfs/dbraw/zinc/44/17/60/629441760.db2.gz CCGGCGFFZYGSSW-UHFFFAOYSA-N -1 3 273.357 3.374 20 0 CGADHM Cc1onc(-c2ccccc2C)c1C(=O)[N-]c1ccon1 ZINC000793768789 629500654 /nfs/dbraw/zinc/50/06/54/629500654.db2.gz XRKCAFSEXUIQDV-UHFFFAOYSA-N -1 3 283.287 3.199 20 0 CGADHM Cc1cc(=O)[n-]c(CSCc2ccc(C)c(F)c2)n1 ZINC000863394414 629558916 /nfs/dbraw/zinc/55/89/16/629558916.db2.gz IUASHUXUDRIQJW-UHFFFAOYSA-N -1 3 278.352 3.372 20 0 CGADHM CCc1ccc(CCC(=O)[N-]OC[C@@H](C)CC)cc1 ZINC000794853496 629588801 /nfs/dbraw/zinc/58/88/01/629588801.db2.gz RHZBWCVAITWJFE-ZDUSSCGKSA-N -1 3 263.381 3.276 20 0 CGADHM O=C(OCc1cccc(C(F)F)c1)c1cncc([O-])c1 ZINC000795511104 629685008 /nfs/dbraw/zinc/68/50/08/629685008.db2.gz VGOKMKCFFCKNTA-UHFFFAOYSA-N -1 3 279.242 3.082 20 0 CGADHM Cc1ccc(CC(=O)[N-]OCc2ccc(Cl)cc2)cc1 ZINC000119948182 629803569 /nfs/dbraw/zinc/80/35/69/629803569.db2.gz ZOKNXGMWJSLWAR-UHFFFAOYSA-N -1 3 289.762 3.439 20 0 CGADHM COC(=O)c1c(C)[n-]c(=O)nc1SC[C@H](C)C(C)(C)C ZINC000865349541 630066502 /nfs/dbraw/zinc/06/65/02/630066502.db2.gz UEBGLASJDLZSCZ-QMMMGPOBSA-N -1 3 298.408 3.052 20 0 CGADHM CCc1csc(S[C@@H](C)c2nc(C)cc(=O)[n-]2)n1 ZINC000865387018 630094760 /nfs/dbraw/zinc/09/47/60/630094760.db2.gz OJDXXWHKINNPIJ-QMMMGPOBSA-N -1 3 281.406 3.363 20 0 CGADHM CCC[C@H](OC(=O)c1cc2ccsc2[n-]1)C(=O)OCC ZINC000801815023 630356845 /nfs/dbraw/zinc/35/68/45/630356845.db2.gz BQRPKIGFLWKLJK-NSHDSACASA-N -1 3 295.360 3.118 20 0 CGADHM CC1(C)CC[C@@H](COC(=O)c2cccc(Cl)c2[O-])O1 ZINC000803421052 630476040 /nfs/dbraw/zinc/47/60/40/630476040.db2.gz ZQFOZURWGWGIBS-VIFPVBQESA-N -1 3 284.739 3.160 20 0 CGADHM CC1(C)CC[C@@H](OC(=O)c2cc3ccsc3[n-]2)C1=O ZINC000840071608 630574407 /nfs/dbraw/zinc/57/44/07/630574407.db2.gz FXHJHKJFYVFZCD-SNVBAGLBSA-N -1 3 277.345 3.144 20 0 CGADHM O=C(Cc1ccc2ccccc2c1)[N-]OC/C=C/Cl ZINC000812401333 631245319 /nfs/dbraw/zinc/24/53/19/631245319.db2.gz YDVIAYSKYWPBLE-FPYGCLRLSA-N -1 3 275.735 3.183 20 0 CGADHM Cc1ccc(OCCCC(=O)[N-]OC/C=C\Cl)c(C)c1 ZINC000812408555 631249061 /nfs/dbraw/zinc/24/90/61/631249061.db2.gz KJDAMPHDPZWQNE-YWEYNIOJSA-N -1 3 297.782 3.263 20 0 CGADHM Cc1cc(OCCCC(=O)[N-]OC2CCC2)ccc1Cl ZINC000812788881 631309112 /nfs/dbraw/zinc/30/91/12/631309112.db2.gz DUPWOOHLLULVHH-UHFFFAOYSA-N -1 3 297.782 3.408 20 0 CGADHM C[C@@H](CC(=O)[N-]OC1CCC1)c1ccc(F)cc1F ZINC000812790091 631309636 /nfs/dbraw/zinc/30/96/36/631309636.db2.gz SSXBKUPPMXNWDT-VIFPVBQESA-N -1 3 269.291 3.059 20 0 CGADHM CC(C)OCCO[N-]C(=O)C[C@@H]1CCCCC1(C)C ZINC000812808433 631318240 /nfs/dbraw/zinc/31/82/40/631318240.db2.gz XTUAECHUTMVASP-ZDUSSCGKSA-N -1 3 271.401 3.066 20 0 CGADHM CC(=O)c1cccc(NC(=O)[C@H](C)Cc2ccccc2)c1[O-] ZINC000816620561 632025116 /nfs/dbraw/zinc/02/51/16/632025116.db2.gz AKOATWUSWYXXAE-GFCCVEGCSA-N -1 3 297.354 3.412 20 0 CGADHM Cc1ccccc1CCC(=O)[N-]Oc1ccccc1 ZINC000816684627 632041768 /nfs/dbraw/zinc/04/17/68/632041768.db2.gz KCEKFCLYUHLMQX-UHFFFAOYSA-N -1 3 255.317 3.038 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)CCc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000816975263 632064901 /nfs/dbraw/zinc/06/49/01/632064901.db2.gz DSFXXPLVKKVRJH-SGMGOOAPSA-N -1 3 279.380 3.430 20 0 CGADHM Cc1cccc2c(CCC(=O)[N-]OCCC3CC3)c[nH]c21 ZINC000817412847 632143220 /nfs/dbraw/zinc/14/32/20/632143220.db2.gz JAZFRYPYLOYONV-UHFFFAOYSA-N -1 3 286.375 3.257 20 0 CGADHM O=C(Cc1ccc(Cl)cc1Cl)[N-]OCCC1CC1 ZINC000817430427 632153850 /nfs/dbraw/zinc/15/38/50/632153850.db2.gz ZWWFGHDLOVVHNU-UHFFFAOYSA-N -1 3 288.174 3.384 20 0 CGADHM Cc1ccc(CCCC(=O)[N-]OCCC2CC2)s1 ZINC000817437159 632155921 /nfs/dbraw/zinc/15/59/21/632155921.db2.gz GOSBAZWZQUPXDE-UHFFFAOYSA-N -1 3 267.394 3.227 20 0 CGADHM Cc1ccc(OCCCC(=O)[N-]OCCC2CC2)c(C)c1 ZINC000817442208 632159062 /nfs/dbraw/zinc/15/90/62/632159062.db2.gz YHEJYDVZSGPFTI-UHFFFAOYSA-N -1 3 291.391 3.310 20 0 CGADHM O=C(CCc1ccc(-c2ccccc2)[nH]1)[N-]OCCC1CC1 ZINC000817441313 632159495 /nfs/dbraw/zinc/15/94/95/632159495.db2.gz CTJALKFMDLZRTC-UHFFFAOYSA-N -1 3 298.386 3.462 20 0 CGADHM CC[C@@H](C)[C@@H]1CCCCN1C(=O)c1ccc(N)cc1[O-] ZINC000817950826 632247766 /nfs/dbraw/zinc/24/77/66/632247766.db2.gz ZVFXWAUJSBTCTE-RISCZKNCSA-N -1 3 276.380 3.015 20 0 CGADHM Nc1ccc(C(=O)N(CC2CCC2)c2ccccc2)c([O-])c1 ZINC000817953533 632248986 /nfs/dbraw/zinc/24/89/86/632248986.db2.gz NEIVVOBEFYSUOT-UHFFFAOYSA-N -1 3 296.370 3.421 20 0 CGADHM CCC[C@@H](C)[C@@H]1CCCN1C(=O)c1ccc(N)cc1[O-] ZINC000817999204 632276348 /nfs/dbraw/zinc/27/63/48/632276348.db2.gz OZQGLSXWZFQHTQ-RISCZKNCSA-N -1 3 276.380 3.015 20 0 CGADHM CCCO[N-]C(=O)CCCc1cc(C)sc1C ZINC000844084640 635817415 /nfs/dbraw/zinc/81/74/15/635817415.db2.gz DSGPBRKHCGSRTI-UHFFFAOYSA-N -1 3 255.383 3.145 20 0 CGADHM CCOC([O-])=NOCCc1cccc(Cl)c1Cl ZINC000818107285 632287969 /nfs/dbraw/zinc/28/79/69/632287969.db2.gz NXBVJQWWZWAWRD-UHFFFAOYSA-N -1 3 278.135 3.214 20 0 CGADHM CCOC(=O)[N-]OCCc1cccc(Cl)c1Cl ZINC000818107285 632287974 /nfs/dbraw/zinc/28/79/74/632287974.db2.gz NXBVJQWWZWAWRD-UHFFFAOYSA-N -1 3 278.135 3.214 20 0 CGADHM Cc1cc(=O)[n-]c(CSCC[C@H]2CC2(Cl)Cl)n1 ZINC000818153748 632292808 /nfs/dbraw/zinc/29/28/08/632292808.db2.gz WTWKWHBPCCSWKR-QMMMGPOBSA-N -1 3 293.219 3.308 20 0 CGADHM CCCCC[C@H](C)NC(=O)Cc1ccc([O-])c(F)c1 ZINC000822393784 632917430 /nfs/dbraw/zinc/91/74/30/632917430.db2.gz CHFJKHNGJCOSBH-NSHDSACASA-N -1 3 267.344 3.159 20 0 CGADHM CC(=O)c1ccc(-c2nnn[n-]2)c(N[C@H]2CCCC[C@H]2C)c1 ZINC000824014271 633181123 /nfs/dbraw/zinc/18/11/23/633181123.db2.gz GXJAYYAYPPUQSM-YGRLFVJLSA-N -1 3 299.378 3.060 20 0 CGADHM CC(=O)c1ccc(-c2nn[n-]n2)c(N[C@H]2CCCC[C@H]2C)c1 ZINC000824014271 633181128 /nfs/dbraw/zinc/18/11/28/633181128.db2.gz GXJAYYAYPPUQSM-YGRLFVJLSA-N -1 3 299.378 3.060 20 0 CGADHM O=C([N-]OC/C=C\Cl)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000868469883 633327291 /nfs/dbraw/zinc/32/72/91/633327291.db2.gz QMCOYZXEBLDNIK-ANIWNBBYSA-N -1 3 285.693 3.155 20 0 CGADHM CC(C)([N-]C(=O)C(F)F)c1nc2cc(Cl)ccc2o1 ZINC000870010213 633526818 /nfs/dbraw/zinc/52/68/18/633526818.db2.gz GYVHMDVDAGONMK-UHFFFAOYSA-N -1 3 288.681 3.098 20 0 CGADHM O=C(C[C@H]1CC=CCC1)[N-]OCCCC(F)(F)F ZINC000828336624 633606470 /nfs/dbraw/zinc/60/64/70/633606470.db2.gz UBBPDLMNUOXVAR-JTQLQIEISA-N -1 3 265.275 3.123 20 0 CGADHM CS[C@H]1C[C@H](NC(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000871096285 633703767 /nfs/dbraw/zinc/70/37/67/633703767.db2.gz OUEZECFLMQGEMF-JOCQHMNTSA-N -1 3 287.384 3.169 20 0 CGADHM CCc1cc(NC([O-])=NO[C@H]2CCCCO2)ccc1C ZINC000121398372 633955059 /nfs/dbraw/zinc/95/50/59/633955059.db2.gz UEKGUASNNJEUFU-AWEZNQCLSA-N -1 3 278.352 3.137 20 0 CGADHM CCc1cc(NC(=O)[N-]O[C@H]2CCCCO2)ccc1C ZINC000121398372 633955064 /nfs/dbraw/zinc/95/50/64/633955064.db2.gz UEKGUASNNJEUFU-AWEZNQCLSA-N -1 3 278.352 3.137 20 0 CGADHM CCc1cnc(CN[C@H](C)c2cccc([O-])c2F)s1 ZINC000872039702 633960550 /nfs/dbraw/zinc/96/05/50/633960550.db2.gz UMFLWSLEQAVRAT-SECBINFHSA-N -1 3 280.368 3.401 20 0 CGADHM CC(C)c1nnc([C@@H](C)N[C@H](C)c2cccc([O-])c2F)[nH]1 ZINC000872050494 633973691 /nfs/dbraw/zinc/97/36/91/633973691.db2.gz BDJRFYFGFIIBCX-NXEZZACHSA-N -1 3 292.358 3.185 20 0 CGADHM C[C@@H](N[C@@H](C)c1cccc([O-])c1F)C(F)(F)F ZINC000872071415 633985448 /nfs/dbraw/zinc/98/54/48/633985448.db2.gz OUPPZGKCFIXSGX-NKWVEPMBSA-N -1 3 251.223 3.133 20 0 CGADHM CCCc1ncc(CN[C@@H](C)c2cccc([O-])c2F)o1 ZINC000872077082 634000534 /nfs/dbraw/zinc/00/05/34/634000534.db2.gz YGGNGFRAVUCGIH-JTQLQIEISA-N -1 3 278.327 3.323 20 0 CGADHM C[C@@H](N[C@@H]1CCCC[C@H]1F)c1cccc([O-])c1F ZINC000872079760 634003152 /nfs/dbraw/zinc/00/31/52/634003152.db2.gz PMTWAJHZHDBUCK-YUSALJHKSA-N -1 3 255.308 3.463 20 0 CGADHM Cc1ccc(CN2CCS[C@H](C)[C@H]2C)cc1C(=O)[O-] ZINC000872159490 634068886 /nfs/dbraw/zinc/06/88/86/634068886.db2.gz UUWCTWRIYMZSDY-VXGBXAGGSA-N -1 3 279.405 3.019 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)C[C@@]1(C)CC1(Cl)Cl ZINC000832738734 634089218 /nfs/dbraw/zinc/08/92/18/634089218.db2.gz KSZXAQXFEHTKED-WPRPVWTQSA-N -1 3 268.184 3.054 20 0 CGADHM CC[C@H]([N-]C(=O)C(F)(F)c1ccc(C)cc1)C(F)F ZINC000833204974 634112602 /nfs/dbraw/zinc/11/26/02/634112602.db2.gz YWDRUODNBMAXCL-JTQLQIEISA-N -1 3 277.261 3.247 20 0 CGADHM O=C([N-]C[C@@H]1CCC[C@@H]1c1ccccc1)C(F)(F)F ZINC000833599772 634123738 /nfs/dbraw/zinc/12/37/38/634123738.db2.gz SPBRLNQLIJEVGQ-NWDGAFQWSA-N -1 3 271.282 3.249 20 0 CGADHM C/C(=C/C(=O)OCc1cc(=O)[n-]c(C2CC2)n1)C(C)(C)C ZINC000837553631 634932928 /nfs/dbraw/zinc/93/29/28/634932928.db2.gz QHBLINVTSWRQSQ-YFHOEESVSA-N -1 3 290.363 3.095 20 0 CGADHM O=C(CCC1CCCCC1)[N-]OCCC1CCOCC1 ZINC000842028673 635259061 /nfs/dbraw/zinc/25/90/61/635259061.db2.gz PULSUCYJVLUPPH-UHFFFAOYSA-N -1 3 283.412 3.211 20 0 CGADHM CC(C)Oc1ccc(CO[N-]C(=O)CC(C)(C)C)cc1 ZINC000842063851 635272290 /nfs/dbraw/zinc/27/22/90/635272290.db2.gz SDSZVEKFWBIFJJ-UHFFFAOYSA-N -1 3 279.380 3.458 20 0 CGADHM CC[C@H](COC(=O)c1cc2sccc2c([O-])c1)OC ZINC000842098514 635286285 /nfs/dbraw/zinc/28/62/85/635286285.db2.gz UMBVZZQDJRBZHO-SNVBAGLBSA-N -1 3 280.345 3.189 20 0 CGADHM CC(C)[C@@H](N)c1noc(-c2ccc3ccccc3c2[O-])n1 ZINC000843148000 635574908 /nfs/dbraw/zinc/57/49/08/635574908.db2.gz KEBFEZHZXAOFAV-CYBMUJFWSA-N -1 3 283.331 3.251 20 0 CGADHM CCCO[N-]C(=O)CCc1ncc(-c2ccc(C)cc2)o1 ZINC000844080717 635814948 /nfs/dbraw/zinc/81/49/48/635814948.db2.gz KUJSEXAIBIZWIA-UHFFFAOYSA-N -1 3 288.347 3.040 20 0 CGADHM CCCO[N-]C(=O)CC[C@@H](O)c1ccc(C(C)(C)C)cc1 ZINC000844086906 635818430 /nfs/dbraw/zinc/81/84/30/635818430.db2.gz CZMDNHIPEPXJEC-OAHLLOKOSA-N -1 3 293.407 3.256 20 0 CGADHM CC[C@@H](C)CON=C([O-])N=c1s[nH]c2ccccc21 ZINC000879824303 635869531 /nfs/dbraw/zinc/86/95/31/635869531.db2.gz ZZCPNXYDCMJPNO-SECBINFHSA-N -1 3 279.365 3.396 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)N=c1s[nH]c2ccccc21 ZINC000879824303 635869534 /nfs/dbraw/zinc/86/95/34/635869534.db2.gz ZZCPNXYDCMJPNO-SECBINFHSA-N -1 3 279.365 3.396 20 0 CGADHM CCc1ccc(C(=O)Nc2cccc([O-])c2F)s1 ZINC000128499218 636023000 /nfs/dbraw/zinc/02/30/00/636023000.db2.gz WSBWBAODIHUGPM-UHFFFAOYSA-N -1 3 265.309 3.408 20 0 CGADHM CCc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc([O-])cc2)cc1 ZINC000005694049 636148344 /nfs/dbraw/zinc/14/83/44/636148344.db2.gz MPEHNAWLZQJNSK-GFCCVEGCSA-N -1 3 298.338 3.383 20 0 CGADHM Cc1cccnc1C(F)(F)C(=O)[N-]C(C)(C)C(C)(F)F ZINC000847115032 636342586 /nfs/dbraw/zinc/34/25/86/636342586.db2.gz SJEKKIZGWFNMLC-UHFFFAOYSA-N -1 3 292.276 3.032 20 0 CGADHM O=C(Nc1cnn(C2CCC2)c1)c1cc([O-])ccc1Cl ZINC000889056005 636887173 /nfs/dbraw/zinc/88/71/73/636887173.db2.gz ZODNGNMIZLQIJB-UHFFFAOYSA-N -1 3 291.738 3.219 20 0 CGADHM CCc1ccc(CCC(=O)[N-]OC2CCCC2)cc1 ZINC000135146080 637092681 /nfs/dbraw/zinc/09/26/81/637092681.db2.gz UCJCGIVJSVHLCI-UHFFFAOYSA-N -1 3 261.365 3.172 20 0 CGADHM c1c(C[N-]c2nc(-c3ccccc3)no2)onc1C1CC1 ZINC000884638985 637102571 /nfs/dbraw/zinc/10/25/71/637102571.db2.gz NSEFNBLKBARAKF-UHFFFAOYSA-N -1 3 282.303 3.214 20 0 CGADHM Cc1oc(NC(=O)c2cc([O-])ccc2Cl)nc1C1CC1 ZINC000887241339 637778516 /nfs/dbraw/zinc/77/85/16/637778516.db2.gz NRQWGGBTBSMXPO-UHFFFAOYSA-N -1 3 292.722 3.472 20 0 CGADHM O=C([N-]CCc1ccc2ccccc2c1)C(F)(F)F ZINC000140532937 637787806 /nfs/dbraw/zinc/78/78/06/637787806.db2.gz MXIOVGQZWVFLCR-UHFFFAOYSA-N -1 3 267.250 3.061 20 0 CGADHM CCCOc1ccc(-c2ccc(=O)[n-]c2F)c(OC)c1 ZINC000854189029 638012108 /nfs/dbraw/zinc/01/21/08/638012108.db2.gz HWGFBKVFFDGJJS-UHFFFAOYSA-N -1 3 277.295 3.391 20 0 CGADHM C[C@H]1CCC[C@H](CNC(=O)c2cc([O-])c3ccccc3c2)O1 ZINC000855797069 638251462 /nfs/dbraw/zinc/25/14/62/638251462.db2.gz LQTAIETYOVLKHP-SWLSCSKDSA-N -1 3 299.370 3.233 20 0 CGADHM O=C(Cc1c(Cl)cccc1Cl)[N-]OCC1CCC1 ZINC000856343227 638344956 /nfs/dbraw/zinc/34/49/56/638344956.db2.gz ZNLSKDVOSQWVEG-UHFFFAOYSA-N -1 3 288.174 3.384 20 0 CGADHM CC(C)COc1ccc(CC(=O)[N-]OCC2CCC2)cc1 ZINC000856347289 638347835 /nfs/dbraw/zinc/34/78/35/638347835.db2.gz KSFGSCJUUXTOEI-UHFFFAOYSA-N -1 3 291.391 3.112 20 0 CGADHM [O-]c1ccc(F)c(CN2CC(Cc3ccsc3)C2)c1F ZINC000857067645 638449571 /nfs/dbraw/zinc/44/95/71/638449571.db2.gz CHHSMWGASFKBFT-UHFFFAOYSA-N -1 3 295.354 3.406 20 0 CGADHM CC[C@H](C)n1nc(Nc2cc(Cl)nc(=O)[n-]2)cc1C ZINC000858466452 638726975 /nfs/dbraw/zinc/72/69/75/638726975.db2.gz FHSCKNBLPCRUPE-ZETCQYMHSA-N -1 3 281.747 3.055 20 0 CGADHM C[C@@H](N[C@@H](C)c1cc([O-])cc(F)c1)C(F)(F)F ZINC000926436562 638771374 /nfs/dbraw/zinc/77/13/74/638771374.db2.gz VKYRVZLDZDBDMY-NKWVEPMBSA-N -1 3 251.223 3.133 20 0 CGADHM CSCCCCCCC(=O)NCc1ccc([O-])c(F)c1 ZINC000860240413 639315873 /nfs/dbraw/zinc/31/58/73/639315873.db2.gz AKXIGBNPIARQEZ-UHFFFAOYSA-N -1 3 299.411 3.461 20 0 CGADHM O=C(OCc1cnc2ccccc2c1)c1ccc([O-])cc1 ZINC000039128125 639585161 /nfs/dbraw/zinc/58/51/61/639585161.db2.gz DZQODJYHWWCYTM-UHFFFAOYSA-N -1 3 279.295 3.297 20 0 CGADHM Cc1cccc([O-])c1C(=O)NCC[C@@]1(C)C[C@]1(F)Cl ZINC000862124408 639648328 /nfs/dbraw/zinc/64/83/28/639648328.db2.gz LWYYCEYVEZGGTB-UONOGXRCSA-N -1 3 285.746 3.135 20 0 CGADHM [O-]c1ccc(Cl)c(F)c1CN[C@@H](CO)c1ccccc1 ZINC000191082203 640287172 /nfs/dbraw/zinc/28/71/72/640287172.db2.gz FZIMMVOMSONYBQ-ZDUSSCGKSA-N -1 3 295.741 3.008 20 0 CGADHM CCOc1ccccc1CCC(=O)[N-]OCc1ccccc1 ZINC000248378571 640754474 /nfs/dbraw/zinc/75/44/74/640754474.db2.gz JXKHRMLVJHWLMA-UHFFFAOYSA-N -1 3 299.370 3.266 20 0 CGADHM O=C(Nc1ccc(F)c([O-])c1)c1cc2[nH]ccc2c(F)c1 ZINC001155404367 805579353 /nfs/dbraw/zinc/57/93/53/805579353.db2.gz NLUANBFMWUQTRM-UHFFFAOYSA-N -1 3 288.253 3.404 20 0 CGADHM Fc1cc(F)c(F)c2nc(-c3ncccc3F)[n-]c21 ZINC001250525999 805675829 /nfs/dbraw/zinc/67/58/29/805675829.db2.gz KZKIGVZLAHUYNG-UHFFFAOYSA-N -1 3 267.185 3.181 20 0 CGADHM COc1cc(-c2ccc([O-])c(C(F)(F)F)c2)ccn1 ZINC001250651021 805749403 /nfs/dbraw/zinc/74/94/03/805749403.db2.gz HMCRXPPDNMZZQQ-UHFFFAOYSA-N -1 3 269.222 3.482 20 0 CGADHM CCC[C@@](C)(CC)C(=O)Nc1cc(C(=O)OC(C)C)n[n-]1 ZINC001157105528 805778030 /nfs/dbraw/zinc/77/80/30/805778030.db2.gz MXRLKMCMTPKMGT-OAHLLOKOSA-N -1 3 295.383 3.130 20 0 CGADHM CCC[C@@](C)(CC)C(=O)Nc1cc(C(=O)OC(C)C)[n-]n1 ZINC001157105528 805778034 /nfs/dbraw/zinc/77/80/34/805778034.db2.gz MXRLKMCMTPKMGT-OAHLLOKOSA-N -1 3 295.383 3.130 20 0 CGADHM CCOc1ccc2[nH]c(-c3ccc([O-])cc3F)nc2c1 ZINC001250845456 805786312 /nfs/dbraw/zinc/78/63/12/805786312.db2.gz GBDTZULLFBUBSG-UHFFFAOYSA-N -1 3 272.279 3.473 20 0 CGADHM COCCn1c2ccccc2nc1-c1cccc([O-])c1F ZINC001251254953 805872746 /nfs/dbraw/zinc/87/27/46/805872746.db2.gz CKUXTAFMAPAKAQ-UHFFFAOYSA-N -1 3 286.306 3.194 20 0 CGADHM Cc1c[nH]c(=O)c(-c2nc3cc(Cl)cc(F)c3[n-]2)c1 ZINC001251288297 805877082 /nfs/dbraw/zinc/87/70/82/805877082.db2.gz RYQHDFYVWMCNOM-UHFFFAOYSA-N -1 3 277.686 3.431 20 0 CGADHM Cc1c[nH]c(=O)c(-c2nc3c(cc(Cl)cc3F)[n-]2)c1 ZINC001251288297 805877091 /nfs/dbraw/zinc/87/70/91/805877091.db2.gz RYQHDFYVWMCNOM-UHFFFAOYSA-N -1 3 277.686 3.431 20 0 CGADHM [O-]c1cc(F)cc(-c2nc3c([nH]2)c(F)cc(F)c3F)c1 ZINC001251570075 805907801 /nfs/dbraw/zinc/90/78/01/805907801.db2.gz RJUODAZJYNRLPR-UHFFFAOYSA-N -1 3 282.196 3.492 20 0 CGADHM COc1cccc2[nH]c(-c3cc([O-])cc(F)c3)nc21 ZINC001251569423 805908314 /nfs/dbraw/zinc/90/83/14/805908314.db2.gz DDTKKQLULXRDKU-UHFFFAOYSA-N -1 3 258.252 3.083 20 0 CGADHM CC[C@@H](O)CNc1cc(Cl)c(C)c(Cl)c1[O-] ZINC001251793109 805935418 /nfs/dbraw/zinc/93/54/18/805935418.db2.gz BCTFSVGZRKUTAO-SSDOTTSWSA-N -1 3 264.152 3.190 20 0 CGADHM Cc1cc([O-])c(-c2nnc(-c3ccc(F)cc3)o2)c(O)c1 ZINC001252252828 806034155 /nfs/dbraw/zinc/03/41/55/806034155.db2.gz YBNUTEAYXDPTCM-UHFFFAOYSA-N -1 3 286.262 3.262 20 0 CGADHM Nc1nc(Cl)ccc1Nc1cccc([O-])c1Cl ZINC001159380171 806093091 /nfs/dbraw/zinc/09/30/91/806093091.db2.gz VHXHHHGMQOENDC-UHFFFAOYSA-N -1 3 270.119 3.420 20 0 CGADHM Cc1cccc(-c2nnc(-c3cnc(C(F)(F)F)[n-]3)o2)c1 ZINC001253688926 806279842 /nfs/dbraw/zinc/27/98/42/806279842.db2.gz MRXYEADVJNAOGO-UHFFFAOYSA-N -1 3 294.236 3.454 20 0 CGADHM Cc1cccc(-c2nnc(-c3c[n-]c(C(F)(F)F)n3)o2)c1 ZINC001253688926 806279846 /nfs/dbraw/zinc/27/98/46/806279846.db2.gz MRXYEADVJNAOGO-UHFFFAOYSA-N -1 3 294.236 3.454 20 0 CGADHM C[C@@H](C(=O)Nc1ccc(Cl)cc1[O-])n1cccc1 ZINC001253711147 806282042 /nfs/dbraw/zinc/28/20/42/806282042.db2.gz ATGHXXREAYIDCD-VIFPVBQESA-N -1 3 264.712 3.047 20 0 CGADHM [O-]c1ccc(Br)c(-c2nnc(C3CC3)o2)c1 ZINC001254120287 806345711 /nfs/dbraw/zinc/34/57/11/806345711.db2.gz OAYORQHQSIKAFZ-UHFFFAOYSA-N -1 3 281.109 3.082 20 0 CGADHM C[C@H]1CCCC[C@H]1CNc1ccccc1-c1nnn[n-]1 ZINC001162527380 806612991 /nfs/dbraw/zinc/61/29/91/806612991.db2.gz WWTDEOMAPIRJQB-RYUDHWBXSA-N -1 3 271.368 3.105 20 0 CGADHM C[C@H]1CCCC[C@H]1CNc1ccccc1-c1nn[n-]n1 ZINC001162527380 806612996 /nfs/dbraw/zinc/61/29/96/806612996.db2.gz WWTDEOMAPIRJQB-RYUDHWBXSA-N -1 3 271.368 3.105 20 0 CGADHM COc1cccc(CCNc2ccc3c(c2)[N-]C(=S)C3)n1 ZINC001162747685 806657534 /nfs/dbraw/zinc/65/75/34/806657534.db2.gz BFPLEPDRIMGFFK-UHFFFAOYSA-N -1 3 299.399 3.040 20 0 CGADHM O=C(Nc1ccc(F)cc1)Nc1ccc([O-])c(F)c1 ZINC000085200872 798943131 /nfs/dbraw/zinc/94/31/31/798943131.db2.gz VVUTXERSOSNWGL-UHFFFAOYSA-N -1 3 264.231 3.314 20 0 CGADHM O=C(Nc1cccc([O-])c1F)[C@H]1C[C@@H]1c1ccccc1 ZINC000129113008 799021201 /nfs/dbraw/zinc/02/12/01/799021201.db2.gz ZMYNWZNWILZHEE-NEPJUHHUSA-N -1 3 271.291 3.274 20 0 CGADHM O=C([O-])[C@H]1CCCCCN1Cc1cc(F)cc(Cl)c1 ZINC000161393888 799080138 /nfs/dbraw/zinc/08/01/38/799080138.db2.gz RVROEOCJCFBGFY-CYBMUJFWSA-N -1 3 285.746 3.308 20 0 CGADHM C[C@H](N[C@H]1CCC(C)(C)C1)c1ncc(C(=O)[O-])s1 ZINC000315325123 799235240 /nfs/dbraw/zinc/23/52/40/799235240.db2.gz MAJVFMHGJOOPIU-IUCAKERBSA-N -1 3 268.382 3.071 20 0 CGADHM CCCC1(CNC(=O)c2ccc(C)cc2[O-])CCC1 ZINC000392109337 799480415 /nfs/dbraw/zinc/48/04/15/799480415.db2.gz UDAXXOYYUTZKKX-UHFFFAOYSA-N -1 3 261.365 3.401 20 0 CGADHM CC1(C)CC[C@@H]1NC(=O)c1cc([O-])cc(Br)c1 ZINC000700840942 799881099 /nfs/dbraw/zinc/88/10/99/799881099.db2.gz CAYMVNSHGJBWOO-NSHDSACASA-N -1 3 298.180 3.073 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CCC2(CCCC2)CC1 ZINC000706642368 799963718 /nfs/dbraw/zinc/96/37/18/799963718.db2.gz VZBNPQAVECEGBC-UHFFFAOYSA-N -1 3 273.376 3.497 20 0 CGADHM CC(C)[C@H]1CN(Cc2cc(C(=O)[O-])cs2)CCS1 ZINC000711407373 800055308 /nfs/dbraw/zinc/05/53/08/800055308.db2.gz OPCMWCZPJUMRTE-GFCCVEGCSA-N -1 3 285.434 3.020 20 0 CGADHM C[C@@H]1CN(Cc2cc(Cl)ccc2F)C[C@H]1CC(=O)[O-] ZINC000722604763 800323752 /nfs/dbraw/zinc/32/37/52/800323752.db2.gz URAFDUFTTKMYDV-NXEZZACHSA-N -1 3 285.746 3.022 20 0 CGADHM Cc1cc2ccccc2c(NCCCc2c[n-][nH]c2=O)c1 ZINC001164395989 806944322 /nfs/dbraw/zinc/94/43/22/806944322.db2.gz PKLWGGIJZJEDRJ-AWEZNQCLSA-N -1 3 281.359 3.072 20 0 CGADHM CC(C)(C)c1coc(CN[C@@H]2CCCCC[C@@H]2C(=O)[O-])n1 ZINC001119549457 802678341 /nfs/dbraw/zinc/67/83/41/802678341.db2.gz JHZWVUSRAQEUMS-NWDGAFQWSA-N -1 3 294.395 3.095 20 0 CGADHM Cc1cc(F)ncc1-c1ccc2c(c1)[N-]C(=S)C2 ZINC001243761420 802987160 /nfs/dbraw/zinc/98/71/60/802987160.db2.gz JAOOCRKDYXTXID-UHFFFAOYSA-N -1 3 258.321 3.492 20 0 CGADHM CCc1cnc([N-]C(=O)c2cc(-c3ccccc3)no2)o1 ZINC001126830266 803116764 /nfs/dbraw/zinc/11/67/64/803116764.db2.gz NMLWCYNXWDESKA-UHFFFAOYSA-N -1 3 283.287 3.144 20 0 CGADHM C[S@@](=O)c1ccccc1-c1c([O-])cccc1Cl ZINC001244049471 803160881 /nfs/dbraw/zinc/16/08/81/803160881.db2.gz BWIZDBUSSKRFRR-QGZVFWFLSA-N -1 3 266.749 3.450 20 0 CGADHM c1ccc(N2CCCC2)c(-c2cccc(-c3nnn[n-]3)c2)c1 ZINC001244181824 803230871 /nfs/dbraw/zinc/23/08/71/803230871.db2.gz DGRKRFPYLYLIKV-UHFFFAOYSA-N -1 3 291.358 3.134 20 0 CGADHM c1ccc(N2CCCC2)c(-c2cccc(-c3nn[n-]n3)c2)c1 ZINC001244181824 803230876 /nfs/dbraw/zinc/23/08/76/803230876.db2.gz DGRKRFPYLYLIKV-UHFFFAOYSA-N -1 3 291.358 3.134 20 0 CGADHM COc1cccc(SC)c1[N-]C(=O)c1cscn1 ZINC001129823759 803256994 /nfs/dbraw/zinc/25/69/94/803256994.db2.gz GGRVTSQJWBCEGE-UHFFFAOYSA-N -1 3 280.374 3.126 20 0 CGADHM Cc1cc(N)ccc1-c1cc(C(F)(F)F)[n-]c(=S)n1 ZINC001244368072 803332474 /nfs/dbraw/zinc/33/24/74/803332474.db2.gz RFZZJELDDNYGJA-UHFFFAOYSA-N -1 3 285.294 3.342 20 0 CGADHM Cc1cn2cc(-c3ccc(Cl)cc3[O-])cnc2n1 ZINC001244469335 803386178 /nfs/dbraw/zinc/38/61/78/803386178.db2.gz HVLAFOGWQGDAQZ-UHFFFAOYSA-N -1 3 259.696 3.064 20 0 CGADHM CCOC(=O)c1ccncc1-c1ccc(Cl)cc1[O-] ZINC001244471800 803386786 /nfs/dbraw/zinc/38/67/86/803386786.db2.gz JHUFKDBHAKWCDC-UHFFFAOYSA-N -1 3 277.707 3.284 20 0 CGADHM COCCOc1cc(-c2ccc(Cl)cc2[O-])ccn1 ZINC001244473705 803388959 /nfs/dbraw/zinc/38/89/59/803388959.db2.gz XWTQPKMDYQDOTO-UHFFFAOYSA-N -1 3 279.723 3.133 20 0 CGADHM COc1ccnc(-c2cc(C)c(F)c([O-])c2)c1F ZINC001244505503 803410101 /nfs/dbraw/zinc/41/01/01/803410101.db2.gz ADZYXVXEKKATNG-UHFFFAOYSA-N -1 3 251.232 3.049 20 0 CGADHM CSc1ncc(F)c(-c2cc(C)c(F)c([O-])c2)n1 ZINC001244505329 803410161 /nfs/dbraw/zinc/41/01/61/803410161.db2.gz CCSRIBNPLMXLFK-UHFFFAOYSA-N -1 3 268.288 3.158 20 0 CGADHM CCc1cc(CC)nc(-c2cc(C)c(F)c([O-])c2)n1 ZINC001244508399 803411784 /nfs/dbraw/zinc/41/17/84/803411784.db2.gz RQVXVYUUKVNJMV-UHFFFAOYSA-N -1 3 260.312 3.422 20 0 CGADHM Cc1cc(-c2cccn(-c3ccncc3)c2=O)cc([O-])c1F ZINC001244525975 803418164 /nfs/dbraw/zinc/41/81/64/803418164.db2.gz VTIVKPZGJYTGGF-UHFFFAOYSA-N -1 3 296.301 3.053 20 0 CGADHM Cc1cc(-c2cccc3cnncc32)cc([O-])c1F ZINC001244525325 803418892 /nfs/dbraw/zinc/41/88/92/803418892.db2.gz PRSZVZKPLABFJD-UHFFFAOYSA-N -1 3 254.264 3.450 20 0 CGADHM CNC(=O)c1cccc(-c2cc(C)c([O-])c(Cl)c2)c1 ZINC001244537117 803424134 /nfs/dbraw/zinc/42/41/34/803424134.db2.gz HAUKPJYRZNYROP-UHFFFAOYSA-N -1 3 275.735 3.381 20 0 CGADHM Cc1cc(-c2ccc3c(c2)CCNC3=O)cc(Cl)c1[O-] ZINC001244545968 803430532 /nfs/dbraw/zinc/43/05/32/803430532.db2.gz BWDLVRHAJJOJOS-UHFFFAOYSA-N -1 3 287.746 3.307 20 0 CGADHM COc1cc(-c2cc(C)c([O-])c(Cl)c2)c(OC)cn1 ZINC001244554756 803435823 /nfs/dbraw/zinc/43/58/23/803435823.db2.gz MQSJNZNQHHOYEJ-UHFFFAOYSA-N -1 3 279.723 3.433 20 0 CGADHM COc1cc(C)c(C)cc1-c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001245021729 803614220 /nfs/dbraw/zinc/61/42/20/803614220.db2.gz BZGFSNLTJKCLRW-UHFFFAOYSA-N -1 3 298.321 3.298 20 0 CGADHM COc1cc(C)c(C)cc1-c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001245021729 803614223 /nfs/dbraw/zinc/61/42/23/803614223.db2.gz BZGFSNLTJKCLRW-UHFFFAOYSA-N -1 3 298.321 3.298 20 0 CGADHM [O-]c1ccc(-c2cc(-c3nnco3)ccn2)c(Cl)c1 ZINC001245079007 803634753 /nfs/dbraw/zinc/63/47/53/803634753.db2.gz PGFLJPKJJZFABB-UHFFFAOYSA-N -1 3 273.679 3.158 20 0 CGADHM CC(=O)Nc1ccnc(-c2ccc([O-])cc2Cl)c1 ZINC001245081273 803636245 /nfs/dbraw/zinc/63/62/45/803636245.db2.gz DCIGTJQJAVLMAT-UHFFFAOYSA-N -1 3 262.696 3.066 20 0 CGADHM Cc1cc(-c2nn[n-]n2)ccc1-c1ccc(O)cc1Cl ZINC001245082848 803637486 /nfs/dbraw/zinc/63/74/86/803637486.db2.gz ADELXCNBAMTRPD-UHFFFAOYSA-N -1 3 286.722 3.201 20 0 CGADHM O=C([N-]c1nc2ccsc2s1)c1c(F)cncc1F ZINC001136882484 803658524 /nfs/dbraw/zinc/65/85/24/803658524.db2.gz QYJDKPSKXSWZBB-UHFFFAOYSA-N -1 3 297.311 3.283 20 0 CGADHM Cc1cccc([O-])c1C(=O)Nc1ccc2[nH]c(=S)[nH]c2c1 ZINC001137763078 803769580 /nfs/dbraw/zinc/76/95/80/803769580.db2.gz VSCUDFUZBNJBCS-UHFFFAOYSA-N -1 3 299.355 3.118 20 0 CGADHM [O-]c1ccc(Nc2nccnc2C(F)(F)F)c(F)c1F ZINC001212005396 814966017 /nfs/dbraw/zinc/96/60/17/814966017.db2.gz KFWMIZWOJGIKRF-UHFFFAOYSA-N -1 3 291.179 3.223 20 0 CGADHM O=C(/C=C\C=C(Cl)Cl)Nc1cc(F)ccc1[O-] ZINC001138016543 803826297 /nfs/dbraw/zinc/82/62/97/803826297.db2.gz PLDSOFQDFWSOGF-IWQZZHSRSA-N -1 3 276.094 3.345 20 0 CGADHM c1cc2cccc(-c3ccc(Cc4nnn[n-]4)cc3)c2o1 ZINC001245617295 803858836 /nfs/dbraw/zinc/85/88/36/803858836.db2.gz PVANEMAHUSXCSW-UHFFFAOYSA-N -1 3 276.299 3.204 20 0 CGADHM c1cc2cccc(-c3ccc(Cc4nn[n-]n4)cc3)c2o1 ZINC001245617295 803858844 /nfs/dbraw/zinc/85/88/44/803858844.db2.gz PVANEMAHUSXCSW-UHFFFAOYSA-N -1 3 276.299 3.204 20 0 CGADHM CCSc1ccccc1CC(=O)Nc1ncccc1[O-] ZINC001138165708 803870796 /nfs/dbraw/zinc/87/07/96/803870796.db2.gz SXQSVNDUGPYVMK-UHFFFAOYSA-N -1 3 288.372 3.080 20 0 CGADHM O=c1ccc(-c2c([O-])cccc2F)cn1-c1cccc(F)c1 ZINC001245653961 803883498 /nfs/dbraw/zinc/88/34/98/803883498.db2.gz HRDMXJKVFZPSTF-UHFFFAOYSA-N -1 3 299.276 3.488 20 0 CGADHM COc1cc(F)c(F)cc1-c1c([O-])cccc1F ZINC001245653093 803883897 /nfs/dbraw/zinc/88/38/97/803883897.db2.gz JXFJLDIDJCYEMJ-UHFFFAOYSA-N -1 3 254.207 3.485 20 0 CGADHM O=C1Nc2c(cccc2-c2c([O-])cccc2F)C12CC2 ZINC001245656971 803889942 /nfs/dbraw/zinc/88/99/42/803889942.db2.gz ZEBDIPWVRXJBOL-UHFFFAOYSA-N -1 3 269.275 3.182 20 0 CGADHM COC(=O)c1c(F)cc(F)cc1-c1c([O-])cccc1F ZINC001245656966 803890930 /nfs/dbraw/zinc/89/09/30/803890930.db2.gz YVNSKNKPBYMNSS-UHFFFAOYSA-N -1 3 282.217 3.263 20 0 CGADHM [O-]c1cccnc1CN1CCC[C@@H]1c1c(F)cccc1F ZINC001138396322 803912208 /nfs/dbraw/zinc/91/22/08/803912208.db2.gz QQDWKIFVOJKKTA-CQSZACIVSA-N -1 3 290.313 3.403 20 0 CGADHM [O-]c1cccc2sc(=Nc3ccncc3Cl)[nH]c21 ZINC001212144366 814983306 /nfs/dbraw/zinc/98/33/06/814983306.db2.gz QIRJFDIRISTAQV-UHFFFAOYSA-N -1 3 277.736 3.216 20 0 CGADHM [O-]c1cc(Cl)c(CN2Cc3cncnc3C2)c(Cl)c1 ZINC001142105740 804694999 /nfs/dbraw/zinc/69/49/99/804694999.db2.gz LTBWIUWIJLCWPM-UHFFFAOYSA-N -1 3 296.157 3.005 20 0 CGADHM COC1CCN(Cc2c(Cl)cc([O-])cc2Cl)CC1 ZINC001142105770 804695124 /nfs/dbraw/zinc/69/51/24/804695124.db2.gz MRVOKGMIKWWKHX-UHFFFAOYSA-N -1 3 290.190 3.310 20 0 CGADHM [O-]c1c(F)cc(F)cc1Nc1ncc(F)cc1F ZINC001212477401 815033710 /nfs/dbraw/zinc/03/37/10/815033710.db2.gz CDTZKEDJJMUYGS-UHFFFAOYSA-N -1 3 258.174 3.087 20 0 CGADHM Cc1cnc(Nc2cc(F)cc(F)c2[O-])c(Cl)n1 ZINC001212479539 815034638 /nfs/dbraw/zinc/03/46/38/815034638.db2.gz DSXYLHMTQMUPAA-UHFFFAOYSA-N -1 3 271.654 3.166 20 0 CGADHM O=C([O-])c1cc(Cl)ccc1CN1CCC[C@@H](CF)C1 ZINC001142660206 804750253 /nfs/dbraw/zinc/75/02/53/804750253.db2.gz JIEWLRCGIMOYOU-JTQLQIEISA-N -1 3 285.746 3.220 20 0 CGADHM CO[C@@H]1CCN(Cc2ccc(Cl)cc2C(=O)[O-])[C@@H](C)C1 ZINC001142673119 804753692 /nfs/dbraw/zinc/75/36/92/804753692.db2.gz ZUOSJXHNBVWQMQ-GXFFZTMASA-N -1 3 297.782 3.038 20 0 CGADHM COc1ccc(C(=O)NC2(c3ccccc3C)CC2)c([O-])c1 ZINC001142972780 804791553 /nfs/dbraw/zinc/79/15/53/804791553.db2.gz RXNHURGTOZDOHH-UHFFFAOYSA-N -1 3 297.354 3.128 20 0 CGADHM CC(=O)OCc1cc(Nc2ncc(F)cc2[O-])ccc1C ZINC001248569704 804954140 /nfs/dbraw/zinc/95/41/40/804954140.db2.gz QSCYUWWHFSUJKT-UHFFFAOYSA-N -1 3 290.294 3.041 20 0 CGADHM CC(=O)c1cccc([O-])c1NC(=O)C[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC001144304648 804972121 /nfs/dbraw/zinc/97/21/21/804972121.db2.gz UJPKIYUXJJNBBJ-AGIUHOORSA-N -1 3 287.359 3.360 20 0 CGADHM C[C@H]1CCCCCN1Cc1c(F)cc([O-])cc1F ZINC001144553380 805005411 /nfs/dbraw/zinc/00/54/11/805005411.db2.gz BFSVBQKZUVUJNP-JTQLQIEISA-N -1 3 255.308 3.435 20 0 CGADHM [O-]c1cc(F)c(CN2CCC3(CCOCC3)CC2)c(F)c1 ZINC001144559691 805006849 /nfs/dbraw/zinc/00/68/49/805006849.db2.gz QCSVYLMMWFAGPV-UHFFFAOYSA-N -1 3 297.345 3.063 20 0 CGADHM Cc1cccc(CN(C)Cc2sccc2C(=O)[O-])c1 ZINC001144664935 805028263 /nfs/dbraw/zinc/02/82/63/805028263.db2.gz MUGKNQJVGVUXAN-UHFFFAOYSA-N -1 3 275.373 3.387 20 0 CGADHM CCCOc1cncc(NC(=O)c2cc(C)ccc2[O-])c1 ZINC001147913172 805157278 /nfs/dbraw/zinc/15/72/78/805157278.db2.gz ZTQXHPRYHFYJMG-UHFFFAOYSA-N -1 3 286.331 3.137 20 0 CGADHM CCc1nccc(C)c1NC(=O)c1ccc([O-])c(C(C)=O)c1 ZINC001148657736 805203527 /nfs/dbraw/zinc/20/35/27/805203527.db2.gz SPQVQXJARSVXKO-UHFFFAOYSA-N -1 3 298.342 3.113 20 0 CGADHM CCCC1CCN(C(=O)c2ccc([O-])c(C(C)=O)c2)CC1 ZINC001148662052 805204035 /nfs/dbraw/zinc/20/40/35/805204035.db2.gz GHJBFYNPSOIBFQ-UHFFFAOYSA-N -1 3 289.375 3.247 20 0 CGADHM O=C(Nc1ccc(F)c([O-])c1)c1nccc2ccccc21 ZINC001149150693 805221998 /nfs/dbraw/zinc/22/19/98/805221998.db2.gz ATYKNDHQYRJBDE-UHFFFAOYSA-N -1 3 282.274 3.332 20 0 CGADHM Cc1nc2ccccc2c(C(=O)N2CCC3(CCC3)C2)c1[O-] ZINC001149198444 805224493 /nfs/dbraw/zinc/22/44/93/805224493.db2.gz SOJPPYXJOSDWCN-UHFFFAOYSA-N -1 3 296.370 3.265 20 0 CGADHM CCCCCN(C)Cc1ccc(F)c(C(=O)[O-])c1F ZINC001249762001 805237983 /nfs/dbraw/zinc/23/79/83/805237983.db2.gz ZKPMZVCAYOKAFI-UHFFFAOYSA-N -1 3 271.307 3.285 20 0 CGADHM O=C(Nc1cncc([O-])c1)c1cc(Cl)nc2ccccc21 ZINC001149660009 805240149 /nfs/dbraw/zinc/24/01/49/805240149.db2.gz TZTDFMBXJAYOPP-UHFFFAOYSA-N -1 3 299.717 3.241 20 0 CGADHM [O-]c1cc(Cl)cnc1Nc1cccc(O)c1F ZINC001212546164 815060626 /nfs/dbraw/zinc/06/06/26/815060626.db2.gz DOMMBUKQBMBNRF-UHFFFAOYSA-N -1 3 254.648 3.029 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CCc2c(F)cccc2C1 ZINC001151144645 805283189 /nfs/dbraw/zinc/28/31/89/805283189.db2.gz KPWMJWFXHXLLHI-UHFFFAOYSA-N -1 3 285.318 3.038 20 0 CGADHM Cc1ccc(C(=O)Cc2c(F)ccc([O-])c2F)cc1 ZINC001249908089 805297187 /nfs/dbraw/zinc/29/71/87/805297187.db2.gz KAIYBKHZFWRRPS-UHFFFAOYSA-N -1 3 262.255 3.404 20 0 CGADHM O=C1CCc2cccc(Nc3cccc([O-])c3F)c21 ZINC001212552525 815065395 /nfs/dbraw/zinc/06/53/95/815065395.db2.gz WLUWQWBFPGCUHU-UHFFFAOYSA-N -1 3 257.264 3.404 20 0 CGADHM CCOC(=O)c1c(C)nsc1[N-]c1c(C)ccnc1F ZINC001212554768 815066493 /nfs/dbraw/zinc/06/64/93/815066493.db2.gz MYEVODGNHHHUQA-UHFFFAOYSA-N -1 3 295.339 3.214 20 0 CGADHM CCOC(=O)CCCCc1cccc(Cl)c1[O-] ZINC001249981259 805341340 /nfs/dbraw/zinc/34/13/40/805341340.db2.gz NAWSNOJYSMDLLV-UHFFFAOYSA-N -1 3 256.729 3.322 20 0 CGADHM Cc1cc(F)c(-c2noc(-c3ccc([O-])cn3)n2)cc1F ZINC001212558217 815067767 /nfs/dbraw/zinc/06/77/67/815067767.db2.gz XEVXPZKIVQOGEO-UHFFFAOYSA-N -1 3 289.241 3.091 20 0 CGADHM [O-]c1ccc(-c2nc(-c3ccccc3Cl)no2)nc1 ZINC001212558089 815068207 /nfs/dbraw/zinc/06/82/07/815068207.db2.gz QULPJBIHDMLNNK-UHFFFAOYSA-N -1 3 273.679 3.158 20 0 CGADHM CC(=O)Nc1cc(Nc2cc(Cl)c([O-])cc2F)ccn1 ZINC001250020191 805371974 /nfs/dbraw/zinc/37/19/74/805371974.db2.gz OBIQTLLGQJUCGT-UHFFFAOYSA-N -1 3 295.701 3.282 20 0 CGADHM Cc1c(F)ccc(Nc2cc(=O)[n-]c(C3CC3)n2)c1F ZINC001250046440 805385310 /nfs/dbraw/zinc/38/53/10/805385310.db2.gz XBKNTUDKDSFVFG-UHFFFAOYSA-N -1 3 277.274 3.390 20 0 CGADHM CCOc1cc(Nc2cnc(C)[n-]c2=O)ccc1Cl ZINC001212579230 815076107 /nfs/dbraw/zinc/07/61/07/815076107.db2.gz WOVLCOCHVXFGOG-UHFFFAOYSA-N -1 3 279.727 3.286 20 0 CGADHM COc1cc(Nc2ccc(Cl)c([O-])c2)ccn1 ZINC001212587963 815077477 /nfs/dbraw/zinc/07/74/77/815077477.db2.gz CFTMBYCECZVEHU-UHFFFAOYSA-N -1 3 250.685 3.193 20 0 CGADHM Cc1ccc2ncc([O-])c(C(=O)NC(C)(C)C3CC3)c2c1 ZINC001154532741 805461340 /nfs/dbraw/zinc/46/13/40/805461340.db2.gz UHSZBKLAOUEAKW-UHFFFAOYSA-N -1 3 284.359 3.167 20 0 CGADHM [O-]c1cc(Nc2cnc(Cl)nc2)ccc1Cl ZINC001212588691 815078039 /nfs/dbraw/zinc/07/80/39/815078039.db2.gz YTEJWYHRFAAOEZ-UHFFFAOYSA-N -1 3 256.092 3.233 20 0 CGADHM CNC(=O)c1ccc(Nc2ccc(Cl)c([O-])c2)cc1 ZINC001212591676 815080155 /nfs/dbraw/zinc/08/01/55/815080155.db2.gz YNHFJMIYFGMZMG-UHFFFAOYSA-N -1 3 276.723 3.149 20 0 CGADHM O=C1Cc2cc(F)cc(Nc3ccc(Cl)c([O-])c3)c2N1 ZINC001212593410 815080338 /nfs/dbraw/zinc/08/03/38/815080338.db2.gz PMCKSUMGMWLZOR-UHFFFAOYSA-N -1 3 292.697 3.423 20 0 CGADHM [O-]c1cc(Nc2cccc(F)c2CO)ccc1Cl ZINC001212594383 815081081 /nfs/dbraw/zinc/08/10/81/815081081.db2.gz YHHWZOBDEOFMAE-UHFFFAOYSA-N -1 3 267.687 3.421 20 0 CGADHM COc1cccc(Cc2c(F)ccc([O-])c2F)c1 ZINC001250264974 805532635 /nfs/dbraw/zinc/53/26/35/805532635.db2.gz OEDXOGNZUBJBMR-UHFFFAOYSA-N -1 3 250.244 3.270 20 0 CGADHM COc1ccc(Cc2cc(F)cc(F)c2[O-])cc1 ZINC001250284882 805539916 /nfs/dbraw/zinc/53/99/16/805539916.db2.gz AYXPAQBGTNRXIA-UHFFFAOYSA-N -1 3 250.244 3.270 20 0 CGADHM CC(=CC(=O)OC(C)C)Nc1ccc2c(c1)[N-]C(=S)C2 ZINC001166770597 807094014 /nfs/dbraw/zinc/09/40/14/807094014.db2.gz GBYMUCJJOSTOHO-POHAHGRESA-N -1 3 290.388 3.249 20 0 CGADHM COCCOc1ccccc1Nc1cc([O-])c(F)cc1F ZINC001212639457 815091533 /nfs/dbraw/zinc/09/15/33/815091533.db2.gz MKHKYQONABMUOO-UHFFFAOYSA-N -1 3 295.285 3.439 20 0 CGADHM COc1ccc(-c2nnc(C3CCCC3)o2)c([O-])c1OC ZINC001257588186 807200635 /nfs/dbraw/zinc/20/06/35/807200635.db2.gz BVPGDUIRVRPAQO-UHFFFAOYSA-N -1 3 290.319 3.117 20 0 CGADHM Cc1nocc1Nc1cc(Br)cc(F)c1[O-] ZINC001212725404 815115982 /nfs/dbraw/zinc/11/59/82/815115982.db2.gz UVUVOSCUDXVJJO-UHFFFAOYSA-N -1 3 287.088 3.334 20 0 CGADHM Cc1c([O-])cc(-c2nnc(CCC(C)C)o2)cc1F ZINC001258356845 807426290 /nfs/dbraw/zinc/42/62/90/807426290.db2.gz OLPJAHVEMJUEKZ-UHFFFAOYSA-N -1 3 264.300 3.478 20 0 CGADHM [O-]c1cccnc1CNc1nccc2sccc21 ZINC001169726958 807698952 /nfs/dbraw/zinc/69/89/52/807698952.db2.gz HZNVTPDTKHAVCB-UHFFFAOYSA-N -1 3 257.318 3.009 20 0 CGADHM CC[C@@H](C)S(=O)(=O)[N-]c1ccc2cccc(C)c2n1 ZINC001260725306 807700213 /nfs/dbraw/zinc/70/02/13/807700213.db2.gz WWVQQKYMRVXXAP-LLVKDONJSA-N -1 3 278.377 3.083 20 0 CGADHM [O-]c1cccnc1CNc1ccccc1-c1ncco1 ZINC001169731603 807700212 /nfs/dbraw/zinc/70/02/12/807700212.db2.gz CINSMUQHRGPOTD-UHFFFAOYSA-N -1 3 267.288 3.054 20 0 CGADHM CC[C@H](C)S(=O)(=O)[N-]c1ccc2ccc(Cl)cc2n1 ZINC001260724383 807700515 /nfs/dbraw/zinc/70/05/15/807700515.db2.gz OWGRHCVCZNUZHP-VIFPVBQESA-N -1 3 298.795 3.428 20 0 CGADHM CC(C)(C)c1ccnc(NCc2ncccc2[O-])c1 ZINC001169733125 807700961 /nfs/dbraw/zinc/70/09/61/807700961.db2.gz SSOJNNHOXOPUNG-UHFFFAOYSA-N -1 3 257.337 3.092 20 0 CGADHM Nc1ccc(C(=O)N2CCC[C@@H](C3CCCC3)C2)c([O-])c1 ZINC001263326690 807946761 /nfs/dbraw/zinc/94/67/61/807946761.db2.gz XMFYGJFJQBGFIV-CYBMUJFWSA-N -1 3 288.391 3.017 20 0 CGADHM Cc1nc2cc(Nc3cnc(C)[n-]c3=O)ccc2s1 ZINC001213037434 815209253 /nfs/dbraw/zinc/20/92/53/815209253.db2.gz VZBCNJROTPIEKI-UHFFFAOYSA-N -1 3 272.333 3.152 20 0 CGADHM COc1ccccc1Nc1cc([O-])c(F)cc1F ZINC001173840947 808703991 /nfs/dbraw/zinc/70/39/91/808703991.db2.gz OOKWHZHQRPNION-UHFFFAOYSA-N -1 3 251.232 3.423 20 0 CGADHM [O-]c1cc(F)c(Nc2ccc3c(c2)OCCO3)c(F)c1 ZINC001173880745 808735935 /nfs/dbraw/zinc/73/59/35/808735935.db2.gz QVRKFNTYPPSXCN-UHFFFAOYSA-N -1 3 279.242 3.185 20 0 CGADHM COc1ccc(F)cc1Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001173955062 808783481 /nfs/dbraw/zinc/78/34/81/808783481.db2.gz CIUXXDQOJMHYKJ-UHFFFAOYSA-N -1 3 299.305 3.469 20 0 CGADHM COC(=O)c1cccc(Nc2c(F)cc([O-])cc2F)c1 ZINC001173964858 808791611 /nfs/dbraw/zinc/79/16/11/808791611.db2.gz QVLHVWZYWTXPDO-UHFFFAOYSA-N -1 3 279.242 3.201 20 0 CGADHM Cc1ccc(Nc2cc(=O)[n-]c(C3CC3)n2)c(C)c1 ZINC001174013483 808822370 /nfs/dbraw/zinc/82/23/70/808822370.db2.gz QIKSQJPVVXZYAY-UHFFFAOYSA-N -1 3 255.321 3.420 20 0 CGADHM Cc1ccc(Nc2cccc(C(N)=O)c2)c(Cl)c1[O-] ZINC001174059284 808849264 /nfs/dbraw/zinc/84/92/64/808849264.db2.gz BZJAWSVSNGIGIE-UHFFFAOYSA-N -1 3 276.723 3.197 20 0 CGADHM CN(C)C(=O)c1cccc(Nc2cccc(Cl)c2[O-])c1 ZINC001174084951 808853939 /nfs/dbraw/zinc/85/39/39/808853939.db2.gz BNRINYSYNMRLHX-UHFFFAOYSA-N -1 3 290.750 3.491 20 0 CGADHM CN(C)C(=O)c1cccc(Nc2c(F)cc([O-])cc2F)c1 ZINC001174087237 808855090 /nfs/dbraw/zinc/85/50/90/808855090.db2.gz RIKOTUPREUBROX-UHFFFAOYSA-N -1 3 292.285 3.116 20 0 CGADHM Cc1ccncc1Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001174117061 808875432 /nfs/dbraw/zinc/87/54/32/808875432.db2.gz RRQATNXZDHGSQC-UHFFFAOYSA-N -1 3 266.304 3.025 20 0 CGADHM CCc1nnc([N-]c2cnn(Cc3ccccc3)c2)s1 ZINC001174131716 808882558 /nfs/dbraw/zinc/88/25/58/808882558.db2.gz PDISWXMBTJHKFY-UHFFFAOYSA-N -1 3 285.376 3.089 20 0 CGADHM Cc1nn(C)c(C)c1Nc1ccc(C)c([O-])c1Cl ZINC001174228242 808913649 /nfs/dbraw/zinc/91/36/49/808913649.db2.gz QQUBXNFHDBSJBW-UHFFFAOYSA-N -1 3 265.744 3.448 20 0 CGADHM CC(C)(C)c1cc(-n2[n-]c(=O)c3cc(N)ccc32)ccn1 ZINC001213166836 815248649 /nfs/dbraw/zinc/24/86/49/815248649.db2.gz ULWSLKILNCOIOR-UHFFFAOYSA-N -1 3 282.347 3.006 20 0 CGADHM [O-]c1cc(F)c(Nc2cnc3[nH]ccc3c2)cc1F ZINC001174398646 808996429 /nfs/dbraw/zinc/99/64/29/808996429.db2.gz FXLVPRFLLSSJKU-UHFFFAOYSA-N -1 3 261.231 3.242 20 0 CGADHM [O-]c1cccc(Nc2cnc(C3CC3)nc2)c1Cl ZINC001174616710 809105371 /nfs/dbraw/zinc/10/53/71/809105371.db2.gz AUBQQWAGKBTUSA-UHFFFAOYSA-N -1 3 261.712 3.457 20 0 CGADHM [O-]c1ccc(Nc2ccc3c(c2)OCO3)c(F)c1F ZINC001174863622 809181362 /nfs/dbraw/zinc/18/13/62/809181362.db2.gz DGZKSCOSUSXPJY-UHFFFAOYSA-N -1 3 265.215 3.143 20 0 CGADHM [O-]c1c(F)cc(Nc2cncc(C(F)(F)F)n2)cc1F ZINC001213373341 815271653 /nfs/dbraw/zinc/27/16/53/815271653.db2.gz DEIOHFUPCYMDOZ-UHFFFAOYSA-N -1 3 291.179 3.223 20 0 CGADHM [O-]c1c(F)cc(Nc2nc(F)c(F)cc2F)cc1F ZINC001213373684 815272316 /nfs/dbraw/zinc/27/23/16/815272316.db2.gz SICBSCKOPSQXLU-UHFFFAOYSA-N -1 3 276.164 3.226 20 0 CGADHM COc1c(C)cc(Nc2ncc(F)cc2[O-])cc1C ZINC001174997249 809232614 /nfs/dbraw/zinc/23/26/14/809232614.db2.gz FNFJFLUTCOQJTP-UHFFFAOYSA-N -1 3 262.284 3.295 20 0 CGADHM Cn1nc(C2CCC2)cc1Nc1cc(F)c([O-])c(F)c1 ZINC001213377496 815273193 /nfs/dbraw/zinc/27/31/93/815273193.db2.gz RLYWADBIHVVGGX-UHFFFAOYSA-N -1 3 279.290 3.415 20 0 CGADHM [O-]c1c(F)cc(Nc2nnccc2C(F)(F)F)cc1F ZINC001213379164 815273566 /nfs/dbraw/zinc/27/35/66/815273566.db2.gz BRSJWNQMXGMTHF-UHFFFAOYSA-N -1 3 291.179 3.223 20 0 CGADHM O=c1[n-]cncc1Nc1ccc(F)c(C(F)(F)F)c1 ZINC001175074959 809260352 /nfs/dbraw/zinc/26/03/52/809260352.db2.gz LKMDNDYRHZAQIR-UHFFFAOYSA-N -1 3 273.189 3.084 20 0 CGADHM Cc1ccc(O)c(Nc2c(F)cc([O-])cc2F)c1 ZINC001175097613 809269691 /nfs/dbraw/zinc/26/96/91/809269691.db2.gz QQJJDJOVLNZZKM-UHFFFAOYSA-N -1 3 251.232 3.428 20 0 CGADHM [O-]c1cc(F)c(Nc2c(F)cc(O)cc2F)c(F)c1 ZINC001175100083 809270582 /nfs/dbraw/zinc/27/05/82/809270582.db2.gz UUXDJAZBHYHWOL-UHFFFAOYSA-N -1 3 273.185 3.398 20 0 CGADHM COc1cccc(N)c1Nc1c(F)cc([O-])cc1F ZINC001175100309 809270643 /nfs/dbraw/zinc/27/06/43/809270643.db2.gz YSEYEYXPBIKEFE-UHFFFAOYSA-N -1 3 266.247 3.005 20 0 CGADHM Cn1ncc2cc(Nc3c(F)cc([O-])cc3F)ccc21 ZINC001175099626 809270935 /nfs/dbraw/zinc/27/09/35/809270935.db2.gz AHJUMYZQMGSZDA-UHFFFAOYSA-N -1 3 275.258 3.301 20 0 CGADHM Cc1cc(N)c(F)cc1Nc1c(F)cc([O-])cc1F ZINC001175099515 809271225 /nfs/dbraw/zinc/27/12/25/809271225.db2.gz KQQSZSGKOHEFDO-UHFFFAOYSA-N -1 3 268.238 3.444 20 0 CGADHM [O-]c1c(Cl)cccc1Nc1cc(CO)ccc1F ZINC001175131050 809283204 /nfs/dbraw/zinc/28/32/04/809283204.db2.gz OZFAFSCRIWWZLW-UHFFFAOYSA-N -1 3 267.687 3.421 20 0 CGADHM [O-]c1ccc(F)c(Nc2ccc3nccnc3c2)c1F ZINC001175264828 809329414 /nfs/dbraw/zinc/32/94/14/809329414.db2.gz ISSARGSWPPLJHP-UHFFFAOYSA-N -1 3 273.242 3.357 20 0 CGADHM [O-]c1ccc(F)c(Nc2cncc(Cl)c2)c1F ZINC001175263937 809329591 /nfs/dbraw/zinc/32/95/91/809329591.db2.gz YPYJWNFWAZLLTL-UHFFFAOYSA-N -1 3 256.639 3.462 20 0 CGADHM [O-]c1ccc(F)c(Nc2cnc(C(F)(F)F)nc2)c1F ZINC001175263192 809329646 /nfs/dbraw/zinc/32/96/46/809329646.db2.gz QBBFIUFUGRXXSF-UHFFFAOYSA-N -1 3 291.179 3.223 20 0 CGADHM [O-]c1ccc(F)c(Nc2ccc(O)cc2F)c1F ZINC001175265310 809331458 /nfs/dbraw/zinc/33/14/58/809331458.db2.gz LDJRQUWKBYSMKT-UHFFFAOYSA-N -1 3 255.195 3.259 20 0 CGADHM CCOc1ccc(N)cc1Nc1c(F)ccc([O-])c1F ZINC001175268129 809332321 /nfs/dbraw/zinc/33/23/21/809332321.db2.gz KYUROWRAZGJAJU-UHFFFAOYSA-N -1 3 280.274 3.395 20 0 CGADHM [O-]c1ccc(F)c(Nc2cccc3nccnc32)c1F ZINC001175267910 809332389 /nfs/dbraw/zinc/33/23/89/809332389.db2.gz CFFCLVZPFWJPSK-UHFFFAOYSA-N -1 3 273.242 3.357 20 0 CGADHM [O-]c1ccc(F)c(Nc2ccc(F)c(CO)c2)c1F ZINC001175269063 809332678 /nfs/dbraw/zinc/33/26/78/809332678.db2.gz ZRXUXROILLLBAD-UHFFFAOYSA-N -1 3 269.222 3.045 20 0 CGADHM [O-]c1ccc(F)c(Nc2cccc3c2OCC3)c1F ZINC001175268254 809332959 /nfs/dbraw/zinc/33/29/59/809332959.db2.gz PFZPRPAPEFKUAQ-UHFFFAOYSA-N -1 3 263.243 3.349 20 0 CGADHM Cc1nn(-c2c(F)ccc([O-])c2F)c2cc(N)cc(F)c12 ZINC001175268473 809333324 /nfs/dbraw/zinc/33/33/24/809333324.db2.gz PXENFKPUHJXRGH-UHFFFAOYSA-N -1 3 293.248 3.039 20 0 CGADHM COc1ccc(Nc2c(F)ccc([O-])c2F)c(O)c1 ZINC001175268452 809333440 /nfs/dbraw/zinc/33/34/40/809333440.db2.gz OJYJKWRDTARWNY-UHFFFAOYSA-N -1 3 267.231 3.128 20 0 CGADHM [O-]c1ccc(F)c(Nc2ccccc2C2=NCCO2)c1F ZINC001175270476 809334564 /nfs/dbraw/zinc/33/45/64/809334564.db2.gz ARIHQMWBGLGSDE-UHFFFAOYSA-N -1 3 290.269 3.191 20 0 CGADHM COc1cc([N-]c2c(F)c(F)c(F)c(F)c2F)no1 ZINC001175383433 809386211 /nfs/dbraw/zinc/38/62/11/809386211.db2.gz ZJTLCKTUJBFVPE-UHFFFAOYSA-N -1 3 280.152 3.122 20 0 CGADHM c1cc2c(c(Nc3ccc(-c4nn[n-]n4)cc3)c1)CCC2 ZINC001175429328 809401217 /nfs/dbraw/zinc/40/12/17/809401217.db2.gz VSFIFJCAAIMKLW-UHFFFAOYSA-N -1 3 277.331 3.099 20 0 CGADHM Clc1ccccc1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175427898 809401613 /nfs/dbraw/zinc/40/16/13/809401613.db2.gz BHKBBALFOOQDMV-UHFFFAOYSA-N -1 3 271.711 3.264 20 0 CGADHM c1cc(-c2nn[n-]n2)ccc1Nc1ccc2c(c1)CCCC2 ZINC001175432408 809402519 /nfs/dbraw/zinc/40/25/19/809402519.db2.gz DOUQGOAWLLTSIA-UHFFFAOYSA-N -1 3 291.358 3.489 20 0 CGADHM CC(=O)c1ccc(C)cc1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175432924 809402678 /nfs/dbraw/zinc/40/26/78/809402678.db2.gz ODBJFVNBJYCKAD-UHFFFAOYSA-N -1 3 293.330 3.121 20 0 CGADHM Cc1c(F)ccc(Nc2ccc(-c3nn[n-]n3)cc2)c1C ZINC001175432911 809402721 /nfs/dbraw/zinc/40/27/21/809402721.db2.gz NYAMPRDCXILZAZ-UHFFFAOYSA-N -1 3 283.310 3.366 20 0 CGADHM CCC(=O)c1ccc(Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001175432890 809402812 /nfs/dbraw/zinc/40/28/12/809402812.db2.gz NRRLWVPIUQWPSW-UHFFFAOYSA-N -1 3 293.330 3.203 20 0 CGADHM CCc1cccc2c1N(C(=O)c1cccc(OC)c1[O-])CC2 ZINC001291823903 809423670 /nfs/dbraw/zinc/42/36/70/809423670.db2.gz OHCQVQCINQOBAU-UHFFFAOYSA-N -1 3 297.354 3.166 20 0 CGADHM Fc1cccc(-c2noc(-c3cc(Cl)n[n-]3)n2)c1F ZINC001213498261 815291012 /nfs/dbraw/zinc/29/10/12/815291012.db2.gz FQOPHGQCQCHXFD-UHFFFAOYSA-N -1 3 282.637 3.058 20 0 CGADHM Clc1cc(-c2nc(-c3ccc4ccncc4c3)no2)[n-]n1 ZINC001213500409 815291027 /nfs/dbraw/zinc/29/10/27/815291027.db2.gz GXHYLXOHDQLMBH-UHFFFAOYSA-N -1 3 297.705 3.328 20 0 CGADHM Cn1cc2ccc(Nc3ncc(Cl)cc3[O-])cc2n1 ZINC001175610839 809472350 /nfs/dbraw/zinc/47/23/50/809472350.db2.gz PYCMFBHKNSDREQ-UHFFFAOYSA-N -1 3 274.711 3.071 20 0 CGADHM CSc1ccc([O-])c(C(=O)NCCc2ccsc2)c1 ZINC001295210020 809484556 /nfs/dbraw/zinc/48/45/56/809484556.db2.gz APEHOSWCZKZUDX-UHFFFAOYSA-N -1 3 293.413 3.148 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])c1nccc2occc21 ZINC001295350889 809485957 /nfs/dbraw/zinc/48/59/57/809485957.db2.gz MALJNWCQLNJVLE-UHFFFAOYSA-N -1 3 288.690 3.439 20 0 CGADHM CSc1ccc(Nc2cc(=O)n(-c3ccccc3)[n-]2)cn1 ZINC001175654025 809491214 /nfs/dbraw/zinc/49/12/14/809491214.db2.gz BBMDHGLAERYWOG-UHFFFAOYSA-N -1 3 298.371 3.438 20 0 CGADHM Cc1ncsc1CCC(=O)Nc1ccc(Cl)cc1[O-] ZINC001295972853 809496859 /nfs/dbraw/zinc/49/68/59/809496859.db2.gz UJKCAELBWJFQIN-UHFFFAOYSA-N -1 3 296.779 3.382 20 0 CGADHM Cc1ccc(C(=O)N[C@@H]2C[C@H]2c2ccccc2C)c([O-])c1 ZINC001300349778 809567500 /nfs/dbraw/zinc/56/75/00/809567500.db2.gz KHJWLSQLZDCCES-JKSUJKDBSA-N -1 3 281.355 3.295 20 0 CGADHM Cc1ccc(Nc2ncc(F)cc2[O-])c(F)c1F ZINC001176095237 809622031 /nfs/dbraw/zinc/62/20/31/809622031.db2.gz ZGFZFWNVVGZNAM-UHFFFAOYSA-N -1 3 254.211 3.257 20 0 CGADHM COC(=O)c1c(C)csc1[N-]c1c(C)noc1C ZINC001176179339 809641123 /nfs/dbraw/zinc/64/11/23/809641123.db2.gz SXMRLLXDQMXOBV-UHFFFAOYSA-N -1 3 266.322 3.192 20 0 CGADHM [O-]c1cccc(Nc2ccc3nonc3c2)c1Cl ZINC001176327379 809669057 /nfs/dbraw/zinc/66/90/57/809669057.db2.gz GZMYKZCUXJAHNF-UHFFFAOYSA-N -1 3 261.668 3.325 20 0 CGADHM Nc1cc(Cl)ccc1Nc1cc(=O)[n-]c(C2CC2)n1 ZINC001213645775 815316003 /nfs/dbraw/zinc/31/60/03/815316003.db2.gz CSUXKRUBYUVPGL-UHFFFAOYSA-N -1 3 276.727 3.039 20 0 CGADHM CCc1cccc(C(=O)NC(C)(C)/C=C/Cl)c1[O-] ZINC001178211712 809852437 /nfs/dbraw/zinc/85/24/37/809852437.db2.gz FLSWYADPFAPOHC-CMDGGOBGSA-N -1 3 267.756 3.216 20 0 CGADHM C[C@@H](CC(=O)Nc1ccc(F)c([O-])c1)C(F)(F)F ZINC001180089095 809973185 /nfs/dbraw/zinc/97/31/85/809973185.db2.gz WTXSTDPIFWCNKR-LURJTMIESA-N -1 3 265.206 3.058 20 0 CGADHM Cc1ccc2c(c1)nc(CNCc1ccc([O-])c(F)c1)n2C ZINC001181063985 810034174 /nfs/dbraw/zinc/03/41/74/810034174.db2.gz CVFHRQNYTNSIBP-UHFFFAOYSA-N -1 3 299.349 3.016 20 0 CGADHM [O-]c1ccc(CNC[C@H]2OCc3ccccc32)c(F)c1F ZINC001184339784 810194316 /nfs/dbraw/zinc/19/43/16/810194316.db2.gz SMGHJTTURQTGFJ-CQSZACIVSA-N -1 3 291.297 3.032 20 0 CGADHM O=S(=O)([N-]CC1(F)CCC1)c1cc2ccccc2s1 ZINC001185481690 810268914 /nfs/dbraw/zinc/26/89/14/810268914.db2.gz VGFZYHVUBRFIDY-UHFFFAOYSA-N -1 3 299.392 3.072 20 0 CGADHM CC[C@@H](C)CCC(=O)Nc1c([O-])cccc1C(C)=O ZINC001185573188 810277325 /nfs/dbraw/zinc/27/73/25/810277325.db2.gz YVHOFOONDKJAND-SNVBAGLBSA-N -1 3 263.337 3.360 20 0 CGADHM Cc1ccc([O-])c(NC(=O)Nc2ccc(C)c(F)c2)n1 ZINC001187956502 810436010 /nfs/dbraw/zinc/43/60/10/810436010.db2.gz CXYFMEMLSQAYRT-UHFFFAOYSA-N -1 3 275.283 3.187 20 0 CGADHM Cc1cccc([O-])c1C(=O)NCc1cncc2ccccc21 ZINC001188658516 810500915 /nfs/dbraw/zinc/50/09/15/810500915.db2.gz HDUYSRBBECNBMI-UHFFFAOYSA-N -1 3 292.338 3.179 20 0 CGADHM CC(C)(C)c1cccc(C(=O)Nc2cncc([O-])c2)c1 ZINC001188970513 810528796 /nfs/dbraw/zinc/52/87/96/810528796.db2.gz NPRDXBNOZPFHMY-UHFFFAOYSA-N -1 3 270.332 3.337 20 0 CGADHM O=C(Nc1nccs1)Nc1nc2c(cccc2[O-])s1 ZINC001189334623 810560424 /nfs/dbraw/zinc/56/04/24/810560424.db2.gz BRFWELJJZYWHEU-UHFFFAOYSA-N -1 3 292.345 3.102 20 0 CGADHM CCCCCCNC(=O)Nc1ccc(F)c([O-])c1 ZINC001191980698 810763570 /nfs/dbraw/zinc/76/35/70/810763570.db2.gz WSGPPOVVEPKEEW-UHFFFAOYSA-N -1 3 254.305 3.233 20 0 CGADHM Cc1ccc(O)cc1Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001214342937 815398098 /nfs/dbraw/zinc/39/80/98/815398098.db2.gz BCLKYTCGLBFQOC-UHFFFAOYSA-N -1 3 281.315 3.336 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2cc(F)cc(C)c2Cl)n1 ZINC001193287632 810868964 /nfs/dbraw/zinc/86/89/64/810868964.db2.gz DUFSFWHDCCQDPH-UHFFFAOYSA-N -1 3 294.713 3.449 20 0 CGADHM CC1CC(N(C)C(=O)c2ccc([O-])cc2C(F)(F)F)C1 ZINC001193735786 810945897 /nfs/dbraw/zinc/94/58/97/810945897.db2.gz REVPRDOZTMGWDQ-UHFFFAOYSA-N -1 3 287.281 3.282 20 0 CGADHM Cc1ccc(-c2cc(C(=O)Nc3cncc([O-])c3)c[nH]2)cc1 ZINC001193769612 810952017 /nfs/dbraw/zinc/95/20/17/810952017.db2.gz ILRSDRQFIPHQLA-UHFFFAOYSA-N -1 3 293.326 3.343 20 0 CGADHM Cc1cnc(Cl)c(NC(=O)c2c(C)cc(O)cc2[O-])c1 ZINC001193922256 810980793 /nfs/dbraw/zinc/98/07/93/810980793.db2.gz GRDLTNMHWONWTM-UHFFFAOYSA-N -1 3 292.722 3.015 20 0 CGADHM Cc1ccc(OC(=O)Nc2cc(F)ccc2[O-])cc1 ZINC001194458205 811079289 /nfs/dbraw/zinc/07/92/89/811079289.db2.gz IUAUZTOJUUPNCD-UHFFFAOYSA-N -1 3 261.252 3.451 20 0 CGADHM COc1ccc(OC(=O)Nc2ccc(F)c([O-])c2)cc1 ZINC001194533107 811086138 /nfs/dbraw/zinc/08/61/38/811086138.db2.gz LZYXWUWUZAOACH-UHFFFAOYSA-N -1 3 277.251 3.151 20 0 CGADHM COc1ccc([N-]S(=O)(=O)c2c(C)cccc2C)cc1 ZINC001194603026 811093546 /nfs/dbraw/zinc/09/35/46/811093546.db2.gz NYWGJOVKXHQCAL-UHFFFAOYSA-N -1 3 291.372 3.113 20 0 CGADHM CCC(CC)COC(=O)[N-]C1=NCC(=O)C=C1C ZINC001194683891 811106420 /nfs/dbraw/zinc/10/64/20/811106420.db2.gz KWXMEQYBZFLRHS-UHFFFAOYSA-N -1 3 252.314 3.080 20 0 CGADHM [O-]c1ccc(Cl)c(Nc2cnc(Cl)cn2)c1F ZINC001214554051 815422287 /nfs/dbraw/zinc/42/22/87/815422287.db2.gz ITBFDYPCFSMLBF-UHFFFAOYSA-N -1 3 274.082 3.372 20 0 CGADHM [O-]c1ccc(Cl)c(Nc2cncc(F)c2)c1F ZINC001214554579 815423416 /nfs/dbraw/zinc/42/34/16/815423416.db2.gz VESNWJVHLXNTML-UHFFFAOYSA-N -1 3 256.639 3.462 20 0 CGADHM [O-]c1ccc(Cl)c(Nc2cn(CCF)cn2)c1F ZINC001214557949 815423762 /nfs/dbraw/zinc/42/37/62/815423762.db2.gz LZOKOONKBGYIBE-UHFFFAOYSA-N -1 3 273.670 3.094 20 0 CGADHM Cc1ccc(Nc2c(Cl)ccc([O-])c2F)c(C(N)=O)c1 ZINC001214563839 815424679 /nfs/dbraw/zinc/42/46/79/815424679.db2.gz VOYFKHPWOUAVCL-UHFFFAOYSA-N -1 3 294.713 3.336 20 0 CGADHM CCCCOc1ccc(NC([S-])=NC(=O)OCC)cc1 ZINC001195483611 811260488 /nfs/dbraw/zinc/26/04/88/811260488.db2.gz XTTWEDVVYJPWDA-UHFFFAOYSA-N -1 3 296.392 3.308 20 0 CGADHM CCCCOc1ccc(NC(=S)[N-]C(=O)OCC)cc1 ZINC001195483611 811260492 /nfs/dbraw/zinc/26/04/92/811260492.db2.gz XTTWEDVVYJPWDA-UHFFFAOYSA-N -1 3 296.392 3.308 20 0 CGADHM Cc1cccc(C)c1NC(=S)Nc1cncc([O-])c1 ZINC001198329647 811490991 /nfs/dbraw/zinc/49/09/91/811490991.db2.gz DVIQOJXIDOIBRM-UHFFFAOYSA-N -1 3 273.361 3.213 20 0 CGADHM Cc1cnccc1Nc1ccc(Cl)c([O-])c1F ZINC001214791608 815452695 /nfs/dbraw/zinc/45/26/95/815452695.db2.gz ZWBUCIBJBFYIMS-UHFFFAOYSA-N -1 3 252.676 3.054 20 0 CGADHM COCOc1c(C)cccc1[N-]c1nnc(C(C)C)o1 ZINC001214842201 815455336 /nfs/dbraw/zinc/45/53/36/815455336.db2.gz DLGMGIYKSFFEGO-UHFFFAOYSA-N -1 3 277.324 3.228 20 0 CGADHM CC(=O)c1ccsc1[N-]C(=O)c1noc(Cl)c1C ZINC001199671297 811584402 /nfs/dbraw/zinc/58/44/02/811584402.db2.gz QQSSGWJQKLEJRK-UHFFFAOYSA-N -1 3 284.724 3.153 20 0 CGADHM [O-]c1cnc(NC(=S)NC2CCCCCC2)c(Cl)c1 ZINC001199965549 811619066 /nfs/dbraw/zinc/61/90/66/811619066.db2.gz GMGDSQRBKFOLOX-UHFFFAOYSA-N -1 3 299.827 3.450 20 0 CGADHM Cc1ccc([O-])c(NC(=O)Nc2ccccc2Cl)n1 ZINC001202054069 812005546 /nfs/dbraw/zinc/00/55/46/812005546.db2.gz WTVRBJBQGQKKHA-UHFFFAOYSA-N -1 3 277.711 3.393 20 0 CGADHM Cc1ccc(NC(=O)Nc2ncc([O-])cc2Cl)cc1 ZINC001202425480 812089204 /nfs/dbraw/zinc/08/92/04/812089204.db2.gz WMBSZNZSIUMRHP-UHFFFAOYSA-N -1 3 277.711 3.393 20 0 CGADHM COc1ccc(NC(=O)Nc2ccc([O-])c(F)c2)c(C)c1 ZINC001202725667 812158433 /nfs/dbraw/zinc/15/84/33/812158433.db2.gz NUYGQFFQFUJLMZ-UHFFFAOYSA-N -1 3 290.294 3.492 20 0 CGADHM CCOc1ccc(NC(=O)Nc2nc(C)ccc2[O-])cc1 ZINC001202895004 812196141 /nfs/dbraw/zinc/19/61/41/812196141.db2.gz KKPXWCAGYVNLAD-UHFFFAOYSA-N -1 3 287.319 3.138 20 0 CGADHM CC(=O)c1cc(-c2nc(-c3ccc(C)cn3)no2)ccc1[O-] ZINC001215365381 815509913 /nfs/dbraw/zinc/50/99/13/815509913.db2.gz QPQVNSHKLXMDQB-UHFFFAOYSA-N -1 3 295.298 3.015 20 0 CGADHM CSc1ccc(F)cc1Nc1ccc(C(N)=O)c([O-])c1 ZINC001215455280 815520511 /nfs/dbraw/zinc/52/05/11/815520511.db2.gz HWATYSZRMSQZGQ-UHFFFAOYSA-N -1 3 292.335 3.096 20 0 CGADHM Cc1ccc(Nc2ccc(N)nc2F)c(Cl)c1[O-] ZINC001203619819 812409812 /nfs/dbraw/zinc/40/98/12/812409812.db2.gz JURKPLUFTXIYQE-UHFFFAOYSA-N -1 3 267.691 3.214 20 0 CGADHM [O-]c1ccc(Nc2ccc3cncnc3c2)c(F)c1F ZINC001203707890 812434755 /nfs/dbraw/zinc/43/47/55/812434755.db2.gz RFTOLENVYMZHCI-UHFFFAOYSA-N -1 3 273.242 3.357 20 0 CGADHM [O-]c1cc(F)c(Nc2ccnc(OC(F)F)c2)cc1F ZINC001215572740 815538234 /nfs/dbraw/zinc/53/82/34/815538234.db2.gz SPFNBDTYZYUUCL-UHFFFAOYSA-N -1 3 288.200 3.410 20 0 CGADHM Cc1ncc(Nc2cc(F)c([O-])cc2F)c(Cl)n1 ZINC001215570524 815536033 /nfs/dbraw/zinc/53/60/33/815536033.db2.gz KKQHWHUCBCBWEH-UHFFFAOYSA-N -1 3 271.654 3.166 20 0 CGADHM CC(C)n1cnc(Nc2cc(F)c([O-])cc2F)c1 ZINC001215572307 815537662 /nfs/dbraw/zinc/53/76/62/815537662.db2.gz CLIHWMOXVUCIDB-UHFFFAOYSA-N -1 3 253.252 3.191 20 0 CGADHM CCN(C)c1ccc(Nc2cc(F)c([O-])cc2F)cn1 ZINC001215572768 815538799 /nfs/dbraw/zinc/53/87/99/815538799.db2.gz VBVMCTQRMVBXKQ-UHFFFAOYSA-N -1 3 279.290 3.265 20 0 CGADHM CC[C@H]1C[C@@H](C)CN1Cc1ncc(Br)cc1[O-] ZINC001204775296 812734015 /nfs/dbraw/zinc/73/40/15/812734015.db2.gz BOUYCHCGPYTCNE-KOLCDFICSA-N -1 3 299.212 3.170 20 0 CGADHM [O-]c1cccc2sc(Nc3ccn4ccnc4c3)nc21 ZINC001204951275 812794402 /nfs/dbraw/zinc/79/44/02/812794402.db2.gz QFKWXOGTOUUNRS-UHFFFAOYSA-N -1 3 282.328 3.393 20 0 CGADHM Cc1cnccc1Nc1ccc(Cl)c(C(=O)[O-])c1F ZINC001215694826 815559691 /nfs/dbraw/zinc/55/96/91/815559691.db2.gz MFFDQOWHEYLOTL-UHFFFAOYSA-N -1 3 280.686 3.046 20 0 CGADHM CC(=O)c1ccc(-c2noc(-c3cc([O-])ccc3F)n2)cc1 ZINC001215749037 815573940 /nfs/dbraw/zinc/57/39/40/815573940.db2.gz AARXNOIYGANNOS-UHFFFAOYSA-N -1 3 298.273 3.451 20 0 CGADHM Cc1nc(-c2ccc([O-])cc2F)cc(C(F)(F)F)n1 ZINC001206022210 813169379 /nfs/dbraw/zinc/16/93/79/813169379.db2.gz WBSQMZWAXKEOBH-UHFFFAOYSA-N -1 3 272.201 3.316 20 0 CGADHM CCOC(=O)c1cc(-c2ccc([O-])cc2F)ncc1C ZINC001206030220 813172845 /nfs/dbraw/zinc/17/28/45/813172845.db2.gz QDXTVFXBBDOLMV-UHFFFAOYSA-N -1 3 275.279 3.078 20 0 CGADHM Nc1ccccc1Nc1nc2c(cccc2[O-])s1 ZINC001206309247 813284194 /nfs/dbraw/zinc/28/41/94/813284194.db2.gz VFYJIJNAFUJQHY-UHFFFAOYSA-N -1 3 257.318 3.328 20 0 CGADHM CCc1cncc(Nc2ncc(Br)cc2[O-])c1 ZINC001209165860 813954930 /nfs/dbraw/zinc/95/49/30/813954930.db2.gz SHLAXAGUJVKSMY-UHFFFAOYSA-N -1 3 294.152 3.251 20 0 CGADHM [O-]c1cc(F)c(Nc2ccc3c(c2)NCCO3)c(F)c1 ZINC001209798957 814145758 /nfs/dbraw/zinc/14/57/58/814145758.db2.gz SGEAJJOHPILYTQ-UHFFFAOYSA-N -1 3 278.258 3.218 20 0 CGADHM [O-]c1cccc(Nc2ncccc2F)c1Br ZINC001209812871 814152413 /nfs/dbraw/zinc/15/24/13/814152413.db2.gz XPUOOBMVYROZKF-UHFFFAOYSA-N -1 3 283.100 3.432 20 0 CGADHM COc1ccc(Nc2cnc(C)[n-]c2=O)c2ccccc12 ZINC001209923076 814200528 /nfs/dbraw/zinc/20/05/28/814200528.db2.gz KPWCYESTZDIYMP-UHFFFAOYSA-N -1 3 281.315 3.396 20 0 CGADHM C=Cc1ccccc1[N-]S(=O)(=O)c1ccc(N)c(C)c1 ZINC001209945282 814208123 /nfs/dbraw/zinc/20/81/23/814208123.db2.gz QHDNYYZBJDFMTB-UHFFFAOYSA-N -1 3 288.372 3.021 20 0 CGADHM [O-]c1ccc(Nc2ccc(F)cc2O)c(F)c1F ZINC001210017127 814247226 /nfs/dbraw/zinc/24/72/26/814247226.db2.gz XEQJEFBPNBCBNS-UHFFFAOYSA-N -1 3 255.195 3.259 20 0 CGADHM Nc1ccc2cn(-c3cccc(F)c3[O-])nc2c1Cl ZINC001210204550 814339389 /nfs/dbraw/zinc/33/93/89/814339389.db2.gz PBJRIZFKRKISIZ-UHFFFAOYSA-N -1 3 277.686 3.106 20 0 CGADHM [O-]c1c(Cl)cccc1Nc1cc(Cl)ncc1CO ZINC001210218730 814346358 /nfs/dbraw/zinc/34/63/58/814346358.db2.gz CEBSOYQEJQZZSE-UHFFFAOYSA-N -1 3 285.130 3.330 20 0 CGADHM CSc1nccc(Nc2cccc(Cl)c2[O-])n1 ZINC001210216682 814347650 /nfs/dbraw/zinc/34/76/50/814347650.db2.gz MZTUIHTZNSPGRM-UHFFFAOYSA-N -1 3 267.741 3.301 20 0 CGADHM Cn1nc(C2CC2)cc1Nc1cccc(Cl)c1[O-] ZINC001210217244 814347728 /nfs/dbraw/zinc/34/77/28/814347728.db2.gz WECZIZLLCFPGDM-UHFFFAOYSA-N -1 3 263.728 3.400 20 0 CGADHM CN(c1cccc(Cl)c1[O-])c1nc(Cl)ccc1N ZINC001210220531 814349193 /nfs/dbraw/zinc/34/91/93/814349193.db2.gz ZBMICMIADNOKKC-UHFFFAOYSA-N -1 3 284.146 3.444 20 0 CGADHM COC(=O)c1ccc(Nc2cccc(Cl)c2[O-])cc1O ZINC001210222198 814349412 /nfs/dbraw/zinc/34/94/12/814349412.db2.gz SZILYPRKLGDKIQ-UHFFFAOYSA-N -1 3 293.706 3.281 20 0 CGADHM [O-]c1c(Cl)cccc1Nc1cc2n(n1)CC1(CC1)CO2 ZINC001210220180 814349852 /nfs/dbraw/zinc/34/98/52/814349852.db2.gz ORFPYOWBRKDFNC-UHFFFAOYSA-N -1 3 291.738 3.158 20 0 CGADHM NC(=O)c1cc(Nc2cccc(Cl)c2[O-])ccc1F ZINC001210222897 814350338 /nfs/dbraw/zinc/35/03/38/814350338.db2.gz CNMZQTPKGFAFJG-UHFFFAOYSA-N -1 3 280.686 3.027 20 0 CGADHM [O-]c1cc(F)cnc1Nc1ccc(OC(F)F)cc1 ZINC001210326109 814408638 /nfs/dbraw/zinc/40/86/38/814408638.db2.gz KRSYYLNCYPLOAI-UHFFFAOYSA-N -1 3 270.210 3.271 20 0 CGADHM O=c1cc(Nc2cc3cc(F)ccc3o2)[nH]c(=S)[n-]1 ZINC001210726628 814597992 /nfs/dbraw/zinc/59/79/92/814597992.db2.gz PNOZAJHMBMETRF-UHFFFAOYSA-N -1 3 277.280 3.100 20 0 CGADHM [O-]c1cc(F)c(Nc2ccnc(OC3CC3)c2)cc1F ZINC001210750159 814611645 /nfs/dbraw/zinc/61/16/45/814611645.db2.gz ZQOFLWJKYHQFOO-UHFFFAOYSA-N -1 3 278.258 3.350 20 0 CGADHM CNC(=O)Cc1ccccc1Nc1cccc([O-])c1Cl ZINC001210854900 814652619 /nfs/dbraw/zinc/65/26/19/814652619.db2.gz MWQTWJUKZHEDDW-UHFFFAOYSA-N -1 3 290.750 3.078 20 0 CGADHM COc1cccc(N)c1Nc1cccc([O-])c1Cl ZINC001210859721 814653586 /nfs/dbraw/zinc/65/35/86/814653586.db2.gz LKTIDFYSPRFBNR-UHFFFAOYSA-N -1 3 264.712 3.380 20 0 CGADHM O=C1NCc2ccc(Nc3cccc([O-])c3Cl)cc2N1 ZINC001210859196 814653675 /nfs/dbraw/zinc/65/36/75/814653675.db2.gz FHKHDFRFTFCMLA-UHFFFAOYSA-N -1 3 289.722 3.424 20 0 CGADHM COc1cc(CO)cc(Nc2cccc([O-])c2Cl)c1 ZINC001210859745 814653700 /nfs/dbraw/zinc/65/37/00/814653700.db2.gz MLUSOSGSKDQIEM-UHFFFAOYSA-N -1 3 279.723 3.290 20 0 CGADHM CN1C(=O)Cc2cc(Nc3cccc([O-])c3Cl)ccc21 ZINC001210860289 814655047 /nfs/dbraw/zinc/65/50/47/814655047.db2.gz VEIZSKWKFMDYPD-UHFFFAOYSA-N -1 3 288.734 3.308 20 0 CGADHM CCc1[nH]nc2ncc(Nc3ncc(Cl)cc3[O-])cc21 ZINC001210880329 814662246 /nfs/dbraw/zinc/66/22/46/814662246.db2.gz GQCJAPHQSWPUNY-UHFFFAOYSA-N -1 3 289.726 3.018 20 0 CGADHM Cc1cc(Nc2ccccc2CN(C)C)cc(C(=O)[O-])c1 ZINC001211547506 814905473 /nfs/dbraw/zinc/90/54/73/814905473.db2.gz RAWQNZWVVFLIJQ-UHFFFAOYSA-N -1 3 284.359 3.498 20 0 CGADHM COCOc1ccccc1Nc1c(F)cc([O-])cc1F ZINC001211568775 814910345 /nfs/dbraw/zinc/91/03/45/814910345.db2.gz TZQALWVOGSZBIM-UHFFFAOYSA-N -1 3 281.258 3.397 20 0 CGADHM Cc1ccc(Nc2cnc[n-]c2=O)c(OC(C)C)c1 ZINC001215877885 815621854 /nfs/dbraw/zinc/62/18/54/815621854.db2.gz XACTWUAPZQHTRV-UHFFFAOYSA-N -1 3 259.309 3.021 20 0 CGADHM Cc1cc(Nc2ncc(Cl)cc2[O-])cc(C)c1CO ZINC001216117933 815703324 /nfs/dbraw/zinc/70/33/24/815703324.db2.gz DXWTXBZJJFSHLN-UHFFFAOYSA-N -1 3 278.739 3.293 20 0 CGADHM Cc1ncc(Nc2cc3c(cccc3F)o2)c(=O)[n-]1 ZINC001216291782 815769610 /nfs/dbraw/zinc/76/96/10/815769610.db2.gz PQVJFVAVRKCPAL-UHFFFAOYSA-N -1 3 259.240 3.120 20 0 CGADHM CCOc1cccc(-c2nc(-c3cccnc3C)no2)c1[O-] ZINC001216957732 815903190 /nfs/dbraw/zinc/90/31/90/815903190.db2.gz ZIDMQPSQFJXOKB-UHFFFAOYSA-N -1 3 297.314 3.211 20 0 CGADHM COc1cc([O-])ccc1-c1nc(-c2ccc(C)cc2)no1 ZINC001217085546 815908511 /nfs/dbraw/zinc/90/85/11/815908511.db2.gz QDALIQRMPUTWIM-UHFFFAOYSA-N -1 3 282.299 3.426 20 0 CGADHM [O-]c1cc(-c2cccc(C3OCCO3)c2)ccc1F ZINC001243047298 823224882 /nfs/dbraw/zinc/22/48/82/823224882.db2.gz ASGKQGQJQOBBMK-UHFFFAOYSA-N -1 3 260.264 3.244 20 0 CGADHM COc1cc(C)c2ncnc(-c3ccc(F)c([O-])c3)c2c1 ZINC001243051622 823228190 /nfs/dbraw/zinc/22/81/90/823228190.db2.gz WHOZYKCZUYYJGZ-UHFFFAOYSA-N -1 3 284.290 3.459 20 0 CGADHM COC(=O)C1(c2ccc(-c3ccc(F)c([O-])c3)cc2)CC1 ZINC001243052482 823229078 /nfs/dbraw/zinc/22/90/78/823229078.db2.gz XGHXJBGPPLEPPG-UHFFFAOYSA-N -1 3 286.302 3.403 20 0 CGADHM C[C@@H]1CCC[C@H](Oc2ccc3c([O-])coc3c2)[C@H]1C ZINC001225341079 817017564 /nfs/dbraw/zinc/01/75/64/817017564.db2.gz XKSPXNACFUCLET-ZETOZRRWSA-N -1 3 260.333 3.465 20 0 CGADHM Cc1cnc(F)c([C@H](C)Oc2[n-]c(=S)ncc2C)c1 ZINC001225740980 817162770 /nfs/dbraw/zinc/16/27/70/817162770.db2.gz LUAUWFZCKWOYLK-VIFPVBQESA-N -1 3 279.340 3.056 20 0 CGADHM Cc1cnc(=S)[n-]c1OC[C@@H](C)OCc1ccccc1 ZINC001225742714 817163844 /nfs/dbraw/zinc/16/38/44/817163844.db2.gz OWNFXGSRJFDNGS-GFCCVEGCSA-N -1 3 290.388 3.058 20 0 CGADHM CC(=O)c1ccc([O-])c(O[C@@H](C)c2ccncc2)c1 ZINC001225996930 817244011 /nfs/dbraw/zinc/24/40/11/817244011.db2.gz ZMJGRWUNUOYGFR-NSHDSACASA-N -1 3 257.289 3.130 20 0 CGADHM Cc1c(O[C@H](c2ccccc2)c2ccccn2)nc[n-]c1=O ZINC001226075584 817265893 /nfs/dbraw/zinc/26/58/93/817265893.db2.gz IFWHJMRLHMFMOT-OAHLLOKOSA-N -1 3 293.326 3.054 20 0 CGADHM COc1ccc([C@H](Oc2nc[n-]c(=O)c2C)C(C)C)cc1 ZINC001226075564 817266157 /nfs/dbraw/zinc/26/61/57/817266157.db2.gz HUNQLIYQZAWTEY-CQSZACIVSA-N -1 3 288.347 3.275 20 0 CGADHM CCCCC(=O)[C@H](CCCC)Oc1nc[n-]c(=O)c1C ZINC001226077661 817267256 /nfs/dbraw/zinc/26/72/56/817267256.db2.gz SXNNKVSNTZCNMD-ZDUSSCGKSA-N -1 3 280.368 3.188 20 0 CGADHM C[C@@H](COC(C)(C)C)Oc1[n-]c(=S)ncc1C1CC1 ZINC001226116981 817278253 /nfs/dbraw/zinc/27/82/53/817278253.db2.gz IHWKGRMDCSFGSR-VIFPVBQESA-N -1 3 282.409 3.225 20 0 CGADHM CCCOc1ccccc1-c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001243127154 823256352 /nfs/dbraw/zinc/25/63/52/823256352.db2.gz CVIBKQUYFTUBAC-UHFFFAOYSA-N -1 3 298.321 3.462 20 0 CGADHM CCCOc1ccccc1-c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001243127154 823256355 /nfs/dbraw/zinc/25/63/55/823256355.db2.gz CVIBKQUYFTUBAC-UHFFFAOYSA-N -1 3 298.321 3.462 20 0 CGADHM Cc1nnc(=O)[n-]c1O[C@H](C)c1cccc(C(F)(F)F)c1 ZINC001226460616 817365141 /nfs/dbraw/zinc/36/51/41/817365141.db2.gz DJXPDGDXTHHCDF-MRVPVSSYSA-N -1 3 299.252 3.044 20 0 CGADHM CC(=O)c1ccc([O-])c(OC2CCCCCC2)c1O ZINC001226481010 817372418 /nfs/dbraw/zinc/37/24/18/817372418.db2.gz AJLLEUXTUMDOCD-UHFFFAOYSA-N -1 3 264.321 3.402 20 0 CGADHM Cc1nc(O[C@@H](c2ccccc2)c2ccccn2)cc(=O)[n-]1 ZINC001226509714 817379002 /nfs/dbraw/zinc/37/90/02/817379002.db2.gz CDKHYLDEWCLHPQ-KRWDZBQOSA-N -1 3 293.326 3.054 20 0 CGADHM Cc1cc(=O)oc2cc([O-])c(O[C@H]3CCC[C@@H]3C)cc12 ZINC001226534571 817390395 /nfs/dbraw/zinc/39/03/95/817390395.db2.gz NARHWRXAUCCKID-ZANVPECISA-N -1 3 274.316 3.374 20 0 CGADHM [O-]c1cccc(O[C@@H]2CCCC3(C2)OCCO3)c1Cl ZINC001226710146 817441810 /nfs/dbraw/zinc/44/18/10/817441810.db2.gz WHESCJWHIPJLCL-SNVBAGLBSA-N -1 3 284.739 3.110 20 0 CGADHM Cc1cc(O[C@@H](C)c2c(F)cccc2F)[n-]c(=S)n1 ZINC001226802323 817470237 /nfs/dbraw/zinc/47/02/37/817470237.db2.gz VUFMGROISIVXDD-QMMMGPOBSA-N -1 3 282.315 3.492 20 0 CGADHM CSc1ncc(-c2ccc(C)c(-c3nnn[n-]3)c2)cc1C ZINC001243157609 823266939 /nfs/dbraw/zinc/26/69/39/823266939.db2.gz AXLGXIPITARSME-UHFFFAOYSA-N -1 3 297.387 3.267 20 0 CGADHM CSc1ncc(-c2ccc(C)c(-c3nn[n-]n3)c2)cc1C ZINC001243157609 823266940 /nfs/dbraw/zinc/26/69/40/823266940.db2.gz AXLGXIPITARSME-UHFFFAOYSA-N -1 3 297.387 3.267 20 0 CGADHM O=c1ccc(OC2c3ccccc3-c3ccccc32)n[n-]1 ZINC001227095536 817555858 /nfs/dbraw/zinc/55/58/58/817555858.db2.gz RITNUQOVOMAKBF-UHFFFAOYSA-N -1 3 276.295 3.331 20 0 CGADHM Cc1cc(C(=O)[O-])cc(-c2cncc3cc[nH]c32)c1 ZINC001243183131 823278245 /nfs/dbraw/zinc/27/82/45/823278245.db2.gz ZTINJAILHWKBSF-UHFFFAOYSA-N -1 3 252.273 3.237 20 0 CGADHM O=c1cc(O[C@H]2CCC(F)(F)C2)[n-]c(C(F)(F)F)c1 ZINC001227582859 817675927 /nfs/dbraw/zinc/67/59/27/817675927.db2.gz GUNPJFBDYPTELT-ZETCQYMHSA-N -1 3 283.196 3.373 20 0 CGADHM Cc1ccc([C@H](C)Oc2[nH]c(=S)nc3nc[n-]c32)cc1 ZINC001227615795 817682706 /nfs/dbraw/zinc/68/27/06/817682706.db2.gz GLEAXFXSBHNSJZ-VIFPVBQESA-N -1 3 286.360 3.090 20 0 CGADHM Cc1ccc(-c2ccc(CN(C)C3CC3)cn2)cc1C(=O)[O-] ZINC001243194095 823284059 /nfs/dbraw/zinc/28/40/59/823284059.db2.gz DYLABLCPACSHOV-UHFFFAOYSA-N -1 3 296.370 3.349 20 0 CGADHM Cc1cc(C(=O)[O-])ccc1-c1cnccc1/C=C/N(C)C ZINC001243211201 823293826 /nfs/dbraw/zinc/29/38/26/823293826.db2.gz DDLNTFPWUCPXFG-VQHVLOKHSA-N -1 3 282.343 3.288 20 0 CGADHM CC[C@H]1CCCC[C@@H]1Oc1nnc(-c2cccnc2)[n-]1 ZINC001228695033 817975195 /nfs/dbraw/zinc/97/51/95/817975195.db2.gz ISAVQSNKXAVRRK-AAEUAGOBSA-N -1 3 272.352 3.214 20 0 CGADHM CC[C@H]1CCCC[C@@H]1Oc1nc(-c2cccnc2)n[n-]1 ZINC001228695033 817975202 /nfs/dbraw/zinc/97/52/02/817975202.db2.gz ISAVQSNKXAVRRK-AAEUAGOBSA-N -1 3 272.352 3.214 20 0 CGADHM CC[C@H]1CCCC[C@@H]1Oc1n[n-]c(-c2cccnc2)n1 ZINC001228695033 817975209 /nfs/dbraw/zinc/97/52/09/817975209.db2.gz ISAVQSNKXAVRRK-AAEUAGOBSA-N -1 3 272.352 3.214 20 0 CGADHM CC[C@H](C[C@@H](C)CC)Oc1n[n-]c(-c2ccncc2)n1 ZINC001228697725 817978307 /nfs/dbraw/zinc/97/83/07/817978307.db2.gz ONZWAWVABVDJPS-WCQYABFASA-N -1 3 274.368 3.460 20 0 CGADHM CC/C=C(\C)[C@H](CC)Oc1nnc(-c2cccnc2)[n-]1 ZINC001228699561 817979638 /nfs/dbraw/zinc/97/96/38/817979638.db2.gz ZMGAPUJPCOEHKF-HJTPGIPUSA-N -1 3 272.352 3.380 20 0 CGADHM CC/C=C(\C)[C@H](CC)Oc1nc(-c2cccnc2)n[n-]1 ZINC001228699561 817979645 /nfs/dbraw/zinc/97/96/45/817979645.db2.gz ZMGAPUJPCOEHKF-HJTPGIPUSA-N -1 3 272.352 3.380 20 0 CGADHM CC/C=C(\C)[C@H](CC)Oc1n[n-]c(-c2cccnc2)n1 ZINC001228699561 817979649 /nfs/dbraw/zinc/97/96/49/817979649.db2.gz ZMGAPUJPCOEHKF-HJTPGIPUSA-N -1 3 272.352 3.380 20 0 CGADHM CC(C)C[C@@H](Oc1nnc(-c2cccnc2)[n-]1)C(C)C ZINC001228698557 817979913 /nfs/dbraw/zinc/97/99/13/817979913.db2.gz QMWISTSVUXVXGA-CYBMUJFWSA-N -1 3 274.368 3.316 20 0 CGADHM CC(C)C[C@@H](Oc1nc(-c2cccnc2)n[n-]1)C(C)C ZINC001228698557 817979917 /nfs/dbraw/zinc/97/99/17/817979917.db2.gz QMWISTSVUXVXGA-CYBMUJFWSA-N -1 3 274.368 3.316 20 0 CGADHM CC(C)C[C@@H](Oc1n[n-]c(-c2cccnc2)n1)C(C)C ZINC001228698557 817979920 /nfs/dbraw/zinc/97/99/20/817979920.db2.gz QMWISTSVUXVXGA-CYBMUJFWSA-N -1 3 274.368 3.316 20 0 CGADHM O=C1CCc2cc([O-])c(O[C@@H]3CCc4ccccc4C3)cc21 ZINC001228854282 818023560 /nfs/dbraw/zinc/02/35/60/818023560.db2.gz QJOUWUMTBUQYGM-OAHLLOKOSA-N -1 3 294.350 3.457 20 0 CGADHM COC(C)(C)C[C@@H](C)Oc1cc2c(cc1[O-])CCC2=O ZINC001228855573 818025223 /nfs/dbraw/zinc/02/52/23/818025223.db2.gz MWPOWGLTBUQBDO-SNVBAGLBSA-N -1 3 278.348 3.104 20 0 CGADHM C[C@H](Oc1cccc(-c2nnn[n-]2)c1)c1cccc(F)c1 ZINC001231115465 818034035 /nfs/dbraw/zinc/03/40/35/818034035.db2.gz HIUJHMNKZAQQOY-JTQLQIEISA-N -1 3 284.294 3.146 20 0 CGADHM C[C@H](Oc1cccc(-c2nn[n-]n2)c1)c1cccc(F)c1 ZINC001231115465 818034039 /nfs/dbraw/zinc/03/40/39/818034039.db2.gz HIUJHMNKZAQQOY-JTQLQIEISA-N -1 3 284.294 3.146 20 0 CGADHM Cc1ccc2c(c1)CC[C@H]2Oc1cccc(-c2nnn[n-]2)c1 ZINC001231117220 818034256 /nfs/dbraw/zinc/03/42/56/818034256.db2.gz XNNUYWDHHMTDBS-MRXNPFEDSA-N -1 3 292.342 3.241 20 0 CGADHM Cc1ccc2c(c1)CC[C@H]2Oc1cccc(-c2nn[n-]n2)c1 ZINC001231117220 818034259 /nfs/dbraw/zinc/03/42/59/818034259.db2.gz XNNUYWDHHMTDBS-MRXNPFEDSA-N -1 3 292.342 3.241 20 0 CGADHM [O-]c1ccc(CN2Cc3cccnc3C2)cc1C(F)(F)F ZINC001231524052 818120971 /nfs/dbraw/zinc/12/09/71/818120971.db2.gz LLDPULYVFRQBEB-UHFFFAOYSA-N -1 3 294.276 3.322 20 0 CGADHM CCN(Cc1ccncc1)Cc1ccc(Cl)c([O-])c1 ZINC001231733512 818162344 /nfs/dbraw/zinc/16/23/44/818162344.db2.gz WSUKSFLHBRHMAD-UHFFFAOYSA-N -1 3 276.767 3.463 20 0 CGADHM COCCC1CCN(Cc2ccc(Cl)c([O-])c2)CC1 ZINC001231734185 818163817 /nfs/dbraw/zinc/16/38/17/818163817.db2.gz QYLGNEWNKFZIIA-UHFFFAOYSA-N -1 3 283.799 3.294 20 0 CGADHM CCCOc1cccc(F)c1-c1ccccc1-c1nnn[n-]1 ZINC001243268729 823318870 /nfs/dbraw/zinc/31/88/70/823318870.db2.gz XRFQLBTZJAMMME-UHFFFAOYSA-N -1 3 298.321 3.462 20 0 CGADHM CCCOc1cccc(F)c1-c1ccccc1-c1nn[n-]n1 ZINC001243268729 823318877 /nfs/dbraw/zinc/31/88/77/823318877.db2.gz XRFQLBTZJAMMME-UHFFFAOYSA-N -1 3 298.321 3.462 20 0 CGADHM [O-]c1c(F)ccc(CN2CCC3(CCC3)CC2)c1F ZINC001232931133 818474963 /nfs/dbraw/zinc/47/49/63/818474963.db2.gz JOECIZGHDYNFHZ-UHFFFAOYSA-N -1 3 267.319 3.437 20 0 CGADHM C[C@@H]1CCC[C@@H](C)N1Cc1ccc(F)c([O-])c1F ZINC001232932098 818474992 /nfs/dbraw/zinc/47/49/92/818474992.db2.gz BQHHWOTWARNULP-NXEZZACHSA-N -1 3 255.308 3.433 20 0 CGADHM C[C@@]1(F)CCCN(Cc2ccc(F)c([O-])c2F)CC1 ZINC001232931117 818475080 /nfs/dbraw/zinc/47/50/80/818475080.db2.gz JIVPFEUSEYAXDE-CQSZACIVSA-N -1 3 273.298 3.385 20 0 CGADHM C[C@H]1C[C@H](C)CN(Cc2cc([O-])c(F)c(F)c2)C1 ZINC001232973270 818488135 /nfs/dbraw/zinc/48/81/35/818488135.db2.gz RIGJRVYVNIGBSL-UWVGGRQHSA-N -1 3 255.308 3.148 20 0 CGADHM Cc1cccc2c1CN(Cc1cccc([O-])c1F)C2 ZINC001233049384 818511166 /nfs/dbraw/zinc/51/11/66/818511166.db2.gz DDKAFICEALOPNN-UHFFFAOYSA-N -1 3 257.308 3.356 20 0 CGADHM COc1ccc(CN(C)C[C@@H]2CCCCO2)c(Cl)c1[O-] ZINC001233400411 818610275 /nfs/dbraw/zinc/61/02/75/818610275.db2.gz HSEQXBYAHRQRIH-LBPRGKRZSA-N -1 3 299.798 3.055 20 0 CGADHM [O-]c1ccc(F)c(CN2CC[C@@H](C(F)(F)F)C2)c1F ZINC001233395904 818611261 /nfs/dbraw/zinc/61/12/61/818611261.db2.gz YKHZQKVNBMATKD-SSDOTTSWSA-N -1 3 281.224 3.055 20 0 CGADHM [O-]c1ccc(F)c(CN2CCC[C@H](C(F)F)C2)c1F ZINC001233395700 818611318 /nfs/dbraw/zinc/61/13/18/818611318.db2.gz KCIKHLWXQLQBSU-QMMMGPOBSA-N -1 3 277.261 3.148 20 0 CGADHM CCC(CC)[C@@H](CC)Oc1cccc([O-])c1C(N)=O ZINC001234149385 818791647 /nfs/dbraw/zinc/79/16/47/818791647.db2.gz OHFYLWNGLLSJQN-GFCCVEGCSA-N -1 3 265.353 3.085 20 0 CGADHM CCN1CCC[C@H](Oc2c(Cl)ccc([O-])c2F)C1 ZINC001234263056 818820000 /nfs/dbraw/zinc/82/00/00/818820000.db2.gz PVPNTZFHJJMFSQ-VIFPVBQESA-N -1 3 273.735 3.048 20 0 CGADHM C[C@@H](Oc1cccc2c1CCN(C)C2)C1=CC=C[CH]1 ZINC001234424053 818851597 /nfs/dbraw/zinc/85/15/97/818851597.db2.gz OBGCKTHONHDGNB-CYBMUJFWSA-N -1 3 254.353 3.142 20 0 CGADHM C[C@H](Cc1ccco1)Oc1nc[n-]c(=O)c1-c1ccccc1 ZINC001234693288 818918125 /nfs/dbraw/zinc/91/81/25/818918125.db2.gz VVJGHXJSQKZENB-GFCCVEGCSA-N -1 3 296.326 3.452 20 0 CGADHM COc1cc([O-])c(C)c(O[C@@H]2CC[C@@H](C)C2)c1C(C)=O ZINC001234791776 818923766 /nfs/dbraw/zinc/92/37/66/818923766.db2.gz RFZILYSCQWTYFG-BXKDBHETSA-N -1 3 278.348 3.479 20 0 CGADHM C[C@@H](Oc1nc2ccsc2[n-]1)c1nccs1 ZINC001234848463 818932478 /nfs/dbraw/zinc/93/24/78/818932478.db2.gz PTHZXYWLXBVPEG-ZCFIWIBFSA-N -1 3 251.336 3.221 20 0 CGADHM CC(C)C[C@@H](C)Oc1nc(=O)[n-]c2c1SCCC2 ZINC001234905559 818949548 /nfs/dbraw/zinc/94/95/48/818949548.db2.gz HGHKHZBDCBZYQV-SECBINFHSA-N -1 3 268.382 3.034 20 0 CGADHM Cc1nc2ncc(-c3cc([O-])cc(Cl)c3)nc2s1 ZINC001235898150 819208349 /nfs/dbraw/zinc/20/83/49/819208349.db2.gz BCQOIJKMVITFHJ-UHFFFAOYSA-N -1 3 277.736 3.421 20 0 CGADHM CC(C)n1cccc(-c2cc([O-])cc(Cl)c2)c1=O ZINC001235904670 819214033 /nfs/dbraw/zinc/21/40/33/819214033.db2.gz OSBANHMSKQABOV-UHFFFAOYSA-N -1 3 263.724 3.455 20 0 CGADHM O=c1cnc(-c2cc([O-])cc(Cl)c2)cn1CC1CCC1 ZINC001235905009 819214647 /nfs/dbraw/zinc/21/46/47/819214647.db2.gz SPRMEFGCFPHBIC-UHFFFAOYSA-N -1 3 290.750 3.069 20 0 CGADHM O=c1ccc(-c2cc([O-])cc(Cl)c2)nn1CC1CCC1 ZINC001235909647 819219075 /nfs/dbraw/zinc/21/90/75/819219075.db2.gz QMDBHKNUTFCGLL-UHFFFAOYSA-N -1 3 290.750 3.069 20 0 CGADHM Fc1ccc(-c2nnn[n-]2)cc1-c1ccc(Cl)cc1 ZINC001236094599 819311723 /nfs/dbraw/zinc/31/17/23/819311723.db2.gz APGDPJOZQRSRGF-UHFFFAOYSA-N -1 3 274.686 3.326 20 0 CGADHM Fc1ccc(-c2nn[n-]n2)cc1-c1ccc(Cl)cc1 ZINC001236094599 819311729 /nfs/dbraw/zinc/31/17/29/819311729.db2.gz APGDPJOZQRSRGF-UHFFFAOYSA-N -1 3 274.686 3.326 20 0 CGADHM C=CC(=O)Oc1ccc(-c2cc(F)cc(F)c2[O-])cc1 ZINC001243505089 823423301 /nfs/dbraw/zinc/42/33/01/823423301.db2.gz BUSXJNQBMBUYIZ-UHFFFAOYSA-N -1 3 276.238 3.429 20 0 CGADHM CN(Cc1sc(=O)[n-]c1Cl)Cc1ccccc1F ZINC001237151947 819680180 /nfs/dbraw/zinc/68/01/80/819680180.db2.gz QARASHAVGWMDGB-UHFFFAOYSA-N -1 3 286.759 3.273 20 0 CGADHM C[C@@]1(CF)CC(F)(F)CN1Cc1cc([O-])cc(F)c1 ZINC001237277992 819715810 /nfs/dbraw/zinc/71/58/10/819715810.db2.gz UDPPJHXGRQWACU-LBPRGKRZSA-N -1 3 277.261 3.101 20 0 CGADHM CCOC(=O)c1ccc(-c2cccc([O-])c2F)cc1OC ZINC001243548383 823440222 /nfs/dbraw/zinc/44/02/22/823440222.db2.gz CIIAZKLRSIBGCK-UHFFFAOYSA-N -1 3 290.290 3.384 20 0 CGADHM CCOC(=O)/C=C/c1ccc(-c2cccc([O-])c2F)nc1 ZINC001243543240 823436365 /nfs/dbraw/zinc/43/63/65/823436365.db2.gz SAYDBORAZOZOFA-VQHVLOKHSA-N -1 3 287.290 3.170 20 0 CGADHM CSc1nc2[nH]ccc2c(-c2cccc([O-])c2F)n1 ZINC001243544711 823437268 /nfs/dbraw/zinc/43/72/68/823437268.db2.gz UCGGXAJFKSNJEV-UHFFFAOYSA-N -1 3 275.308 3.143 20 0 CGADHM CCS(=O)(=O)c1ccc(F)c(-c2cccc([O-])c2F)c1 ZINC001243545317 823437964 /nfs/dbraw/zinc/43/79/64/823437964.db2.gz DIRTWSNGOIYISY-UHFFFAOYSA-N -1 3 298.310 3.131 20 0 CGADHM CCOc1cc(-c2cccc([O-])c2F)cnc1F ZINC001243545479 823438411 /nfs/dbraw/zinc/43/84/11/823438411.db2.gz BRONGTHYGYZBBS-UHFFFAOYSA-N -1 3 251.232 3.131 20 0 CGADHM COC(=O)c1ccc(OC)c(-c2cccc([O-])c2F)c1F ZINC001243546854 823438756 /nfs/dbraw/zinc/43/87/56/823438756.db2.gz PXUADNQEPRXBAE-UHFFFAOYSA-N -1 3 294.253 3.133 20 0 CGADHM CCOc1ncc(-c2cccc([O-])c2F)cc1OC ZINC001243546957 823438806 /nfs/dbraw/zinc/43/88/06/823438806.db2.gz VOPMQYJEZYSKBP-UHFFFAOYSA-N -1 3 263.268 3.001 20 0 CGADHM Cc1nc(C(=O)OC(C)C)ccc1-c1cccc([O-])c1F ZINC001243546622 823438818 /nfs/dbraw/zinc/43/88/18/823438818.db2.gz RBKXMEOEHLZAKE-UHFFFAOYSA-N -1 3 289.306 3.467 20 0 CGADHM COC(=O)n1ccc2ccc(-c3cccc([O-])c3F)nc21 ZINC001243546113 823438824 /nfs/dbraw/zinc/43/88/24/823438824.db2.gz JCEZVPWRMQHMBV-UHFFFAOYSA-N -1 3 286.262 3.163 20 0 CGADHM [O-]c1cccc(-c2ccc(N3CCOCC3)cc2F)c1F ZINC001243546726 823438940 /nfs/dbraw/zinc/43/89/40/823438940.db2.gz DQXPHIWHZFPBIA-UHFFFAOYSA-N -1 3 291.297 3.174 20 0 CGADHM COC(=O)C1(c2ccc(-c3cccc([O-])c3F)cc2)CC1 ZINC001243547401 823439609 /nfs/dbraw/zinc/43/96/09/823439609.db2.gz RPVQECZZIRCNQU-UHFFFAOYSA-N -1 3 286.302 3.403 20 0 CGADHM [O-]c1cccc(-c2ccc3c(c2)[C@H](O)CCO3)c1F ZINC001243547110 823439983 /nfs/dbraw/zinc/43/99/83/823439983.db2.gz MFNPDBUYGYHOOL-GFCCVEGCSA-N -1 3 260.264 3.014 20 0 CGADHM [O-]c1cc(C(F)(F)F)ccc1-c1cccn2cnnc12 ZINC001243609603 823466384 /nfs/dbraw/zinc/46/63/84/823466384.db2.gz RHLLUNVVZPRSRM-UHFFFAOYSA-N -1 3 279.221 3.121 20 0 CGADHM Cc1cccc(-c2ccc(C)c(-c3nnn[n-]3)c2)c1 ZINC001239489449 820340899 /nfs/dbraw/zinc/34/08/99/820340899.db2.gz NDRKVELUCSUVAG-UHFFFAOYSA-N -1 3 250.305 3.151 20 0 CGADHM Cc1cccc(-c2ccc(C)c(-c3nn[n-]n3)c2)c1 ZINC001239489449 820340911 /nfs/dbraw/zinc/34/09/11/820340911.db2.gz NDRKVELUCSUVAG-UHFFFAOYSA-N -1 3 250.305 3.151 20 0 CGADHM Fc1cc2[nH]ccc2c(-c2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC001240036858 820799003 /nfs/dbraw/zinc/79/90/03/820799003.db2.gz OLNCVUJGHALREO-UHFFFAOYSA-N -1 3 297.268 3.293 20 0 CGADHM Fc1cc2[nH]ccc2c(-c2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC001240036858 820799010 /nfs/dbraw/zinc/79/90/10/820799010.db2.gz OLNCVUJGHALREO-UHFFFAOYSA-N -1 3 297.268 3.293 20 0 CGADHM S=C1Cc2ccc(-c3ccc4nccn4c3)cc2[N-]1 ZINC001240221851 820898661 /nfs/dbraw/zinc/89/86/61/820898661.db2.gz WFPNYDGGBXMYTP-UHFFFAOYSA-N -1 3 265.341 3.297 20 0 CGADHM Nc1ccc(-c2ccc3c(c2)[N-]C(=S)C3)c(F)c1 ZINC001240529905 821126537 /nfs/dbraw/zinc/12/65/37/821126537.db2.gz NYVNWZFXGDAMCO-UHFFFAOYSA-N -1 3 258.321 3.370 20 0 CGADHM O=C([O-])/C=C/c1cccc(-c2cc(N3CCCC3)ccn2)c1 ZINC001240547458 821134600 /nfs/dbraw/zinc/13/46/00/821134600.db2.gz PSEZVWMUFFVNQT-VOTSOKGWSA-N -1 3 294.354 3.447 20 0 CGADHM CCOC(=O)/C=C/c1cccnc1-c1ccc([O-])c(F)c1 ZINC001240783863 821323926 /nfs/dbraw/zinc/32/39/26/821323926.db2.gz YYFMUJMFXHZPGR-SOFGYWHQSA-N -1 3 287.290 3.170 20 0 CGADHM CCOC(=O)Cc1cccc(-c2ccc([O-])c(F)c2)c1 ZINC001240785612 821324678 /nfs/dbraw/zinc/32/46/78/821324678.db2.gz JDFPKKLPBOCMAN-UHFFFAOYSA-N -1 3 274.291 3.304 20 0 CGADHM COCOc1ccc(C)cc1-c1ccc([O-])c(F)c1 ZINC001240786564 821325960 /nfs/dbraw/zinc/32/59/60/821325960.db2.gz NGZKIKNZFXXQOF-UHFFFAOYSA-N -1 3 262.280 3.489 20 0 CGADHM COCCOc1ccc(-c2ccc([O-])c(F)c2)cc1 ZINC001240787202 821328192 /nfs/dbraw/zinc/32/81/92/821328192.db2.gz RAUVPWRJLCRCLQ-UHFFFAOYSA-N -1 3 262.280 3.224 20 0 CGADHM [O-]c1ccc(-c2cc(F)cc(N3CCOCC3)c2)cc1F ZINC001240788051 821328829 /nfs/dbraw/zinc/32/88/29/821328829.db2.gz XTXVIZXQELIDFB-UHFFFAOYSA-N -1 3 291.297 3.174 20 0 CGADHM COc1nc2[nH]ccc2cc1-c1ccc([O-])c(F)c1 ZINC001240787768 821329209 /nfs/dbraw/zinc/32/92/09/821329209.db2.gz POVYCAJVOIXZSU-UHFFFAOYSA-N -1 3 258.252 3.035 20 0 CGADHM CC1(c2ccc(-c3ccc([O-])c(F)c3)cc2)COC1 ZINC001240787219 821329933 /nfs/dbraw/zinc/32/99/33/821329933.db2.gz RTAPUDONJGXGMS-UHFFFAOYSA-N -1 3 258.292 3.486 20 0 CGADHM Cn1c(=O)ccc2ccc(-c3ccc([O-])c(F)c3)cc21 ZINC001240788563 821330427 /nfs/dbraw/zinc/33/04/27/821330427.db2.gz IAYGQLBXEVXCJT-UHFFFAOYSA-N -1 3 269.275 3.050 20 0 CGADHM Fc1cc(-c2cccc3cccnc32)ccc1-c1nnn[n-]1 ZINC001240896389 821399747 /nfs/dbraw/zinc/39/97/47/821399747.db2.gz WFFZNGNIYNRJIQ-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Fc1cc(-c2cccc3cccnc32)ccc1-c1nn[n-]n1 ZINC001240896389 821399759 /nfs/dbraw/zinc/39/97/59/821399759.db2.gz WFFZNGNIYNRJIQ-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM [O-]c1ccccc1-c1cncc(OCc2ccccc2)n1 ZINC001241001945 821481047 /nfs/dbraw/zinc/48/10/47/821481047.db2.gz MUORUMXSKMMDHC-UHFFFAOYSA-N -1 3 278.311 3.428 20 0 CGADHM COC(=O)c1cnc(-c2ccccc2[O-])c(C(F)(F)F)c1 ZINC001241009137 821486739 /nfs/dbraw/zinc/48/67/39/821486739.db2.gz ZTLMTRNZMRZEMV-UHFFFAOYSA-N -1 3 297.232 3.260 20 0 CGADHM Cc1ccc(-c2nccc3c2C(=O)OC3(C)C)c([O-])c1 ZINC001241030547 821506366 /nfs/dbraw/zinc/50/63/66/821506366.db2.gz LFMKYMKJCHADIQ-UHFFFAOYSA-N -1 3 269.300 3.168 20 0 CGADHM Cc1ccc(-c2cc3c(nn2)CC[C@H](C)C3)c([O-])c1 ZINC001241035771 821511568 /nfs/dbraw/zinc/51/15/68/821511568.db2.gz GYXFWLZPVJSNJN-JTQLQIEISA-N -1 3 254.333 3.282 20 0 CGADHM Cc1ccc(-c2cc(F)c(F)cc2F)cc1-c1nnn[n-]1 ZINC001241111339 821566393 /nfs/dbraw/zinc/56/63/93/821566393.db2.gz DJZFXKRFZRHJDF-UHFFFAOYSA-N -1 3 290.248 3.259 20 0 CGADHM Cc1ccc(-c2cc(F)c(F)cc2F)cc1-c1nn[n-]n1 ZINC001241111339 821566398 /nfs/dbraw/zinc/56/63/98/821566398.db2.gz DJZFXKRFZRHJDF-UHFFFAOYSA-N -1 3 290.248 3.259 20 0 CGADHM CN1CCc2c(F)cc(-c3c(F)cc([O-])cc3F)cc2C1 ZINC001241125018 821581031 /nfs/dbraw/zinc/58/10/31/821581031.db2.gz PHPSRIYIKUNSSY-UHFFFAOYSA-N -1 3 293.288 3.464 20 0 CGADHM COc1cc(C)c(-c2ccc(-c3nnn[n-]3)cc2C)cc1C ZINC001241139207 821593057 /nfs/dbraw/zinc/59/30/57/821593057.db2.gz ZIQSKSPYPMTOQC-UHFFFAOYSA-N -1 3 294.358 3.468 20 0 CGADHM COc1cc(C)c(-c2ccc(-c3nn[n-]n3)cc2C)cc1C ZINC001241139207 821593059 /nfs/dbraw/zinc/59/30/59/821593059.db2.gz ZIQSKSPYPMTOQC-UHFFFAOYSA-N -1 3 294.358 3.468 20 0 CGADHM CCOc1ccc(C)cc1-c1ccc(-c2nnn[n-]2)cc1 ZINC001241147614 821600483 /nfs/dbraw/zinc/60/04/83/821600483.db2.gz DONPPMZPCMLNOZ-UHFFFAOYSA-N -1 3 280.331 3.241 20 0 CGADHM CCOc1ccc(C)cc1-c1ccc(-c2nn[n-]n2)cc1 ZINC001241147614 821600488 /nfs/dbraw/zinc/60/04/88/821600488.db2.gz DONPPMZPCMLNOZ-UHFFFAOYSA-N -1 3 280.331 3.241 20 0 CGADHM Fc1cc(-c2ccc(-c3nnn[n-]3)c(F)c2)ccc1Cl ZINC001241231892 821656850 /nfs/dbraw/zinc/65/68/50/821656850.db2.gz IIZZVPMZPJRTKT-UHFFFAOYSA-N -1 3 292.676 3.465 20 0 CGADHM Fc1cc(-c2ccc(-c3nn[n-]n3)c(F)c2)ccc1Cl ZINC001241231892 821656855 /nfs/dbraw/zinc/65/68/55/821656855.db2.gz IIZZVPMZPJRTKT-UHFFFAOYSA-N -1 3 292.676 3.465 20 0 CGADHM [O-]c1cc(F)cc(-c2cc(-c3cccnc3)ncn2)c1 ZINC001241261187 821680157 /nfs/dbraw/zinc/68/01/57/821680157.db2.gz GPQVCBSEOMOHCJ-UHFFFAOYSA-N -1 3 267.263 3.050 20 0 CGADHM CCOC(=O)CCc1cccnc1-c1cc([O-])cc(F)c1 ZINC001241261778 821681534 /nfs/dbraw/zinc/68/15/34/821681534.db2.gz QJXCRRZLFKMMSG-UHFFFAOYSA-N -1 3 289.306 3.089 20 0 CGADHM Cc1cc(-c2cc([O-])cc(F)c2)nc(-c2ccncc2)n1 ZINC001241262686 821682545 /nfs/dbraw/zinc/68/25/45/821682545.db2.gz PVVBLNWIWUZWSQ-UHFFFAOYSA-N -1 3 281.290 3.359 20 0 CGADHM CCOc1cccc(-c2ccc(-c3nnn[n-]3)cc2C)c1F ZINC001241265587 821684414 /nfs/dbraw/zinc/68/44/14/821684414.db2.gz MXFMCQSWUNLXIG-UHFFFAOYSA-N -1 3 298.321 3.380 20 0 CGADHM CCOc1cccc(-c2ccc(-c3nn[n-]n3)cc2C)c1F ZINC001241265587 821684417 /nfs/dbraw/zinc/68/44/17/821684417.db2.gz MXFMCQSWUNLXIG-UHFFFAOYSA-N -1 3 298.321 3.380 20 0 CGADHM CCOc1cccc(-c2cccc(-c3nnn[n-]3)c2)c1F ZINC001241265467 821684594 /nfs/dbraw/zinc/68/45/94/821684594.db2.gz HNCGXESLGMEWSX-UHFFFAOYSA-N -1 3 284.294 3.072 20 0 CGADHM CCOc1cccc(-c2cccc(-c3nn[n-]n3)c2)c1F ZINC001241265467 821684600 /nfs/dbraw/zinc/68/46/00/821684600.db2.gz HNCGXESLGMEWSX-UHFFFAOYSA-N -1 3 284.294 3.072 20 0 CGADHM [O-]c1cc(F)cc(-c2ccc(CN3CCOCC3)cc2)c1 ZINC001241266386 821685684 /nfs/dbraw/zinc/68/56/84/821685684.db2.gz HYSIIVFETCBIFQ-UHFFFAOYSA-N -1 3 287.334 3.031 20 0 CGADHM O=c1ccc(-c2cc([O-])cc(F)c2)cn1C1CCC1 ZINC001241280148 821698700 /nfs/dbraw/zinc/69/87/00/821698700.db2.gz GEUIVFXNIJKSHU-UHFFFAOYSA-N -1 3 259.280 3.085 20 0 CGADHM [O-]c1cc(F)cc(-c2ccc(C(F)(F)F)n3ncnc23)c1 ZINC001241281561 821700715 /nfs/dbraw/zinc/70/07/15/821700715.db2.gz DTQIPHSUELGKIV-UHFFFAOYSA-N -1 3 297.211 3.260 20 0 CGADHM COc1cccc(F)c1-c1c(F)ccc([O-])c1F ZINC001241291542 821707675 /nfs/dbraw/zinc/70/76/75/821707675.db2.gz PKXQIYOPMIGYQG-UHFFFAOYSA-N -1 3 254.207 3.485 20 0 CGADHM COc1cc(OC)c(-c2c(F)ccc([O-])c2F)c(OC)c1 ZINC001241292828 821711103 /nfs/dbraw/zinc/71/11/03/821711103.db2.gz JNTJVSYFCPWCJE-UHFFFAOYSA-N -1 3 296.269 3.363 20 0 CGADHM CCOC(=O)c1cc(-c2c(F)ccc([O-])c2F)cnc1C ZINC001241293589 821711541 /nfs/dbraw/zinc/71/15/41/821711541.db2.gz WYPPIFAKGLPXNE-UHFFFAOYSA-N -1 3 293.269 3.218 20 0 CGADHM CC(C)n1cccc(-c2c(F)ccc([O-])c2F)c1=O ZINC001241294369 821713036 /nfs/dbraw/zinc/71/30/36/821713036.db2.gz SNUQNIZWOBVRFV-UHFFFAOYSA-N -1 3 265.259 3.080 20 0 CGADHM Cc1ccc(-c2ccc(C)c(-c3nnn[n-]3)c2)c(F)c1 ZINC001241356397 821757085 /nfs/dbraw/zinc/75/70/85/821757085.db2.gz LKJLNDMLRDGICY-UHFFFAOYSA-N -1 3 268.295 3.290 20 0 CGADHM Cc1ccc(-c2ccc(C)c(-c3nn[n-]n3)c2)c(F)c1 ZINC001241356397 821757089 /nfs/dbraw/zinc/75/70/89/821757089.db2.gz LKJLNDMLRDGICY-UHFFFAOYSA-N -1 3 268.295 3.290 20 0 CGADHM Fc1ccc2ccnc(-c3ccc(-c4nnn[n-]4)cc3)c2c1 ZINC001241441203 821834468 /nfs/dbraw/zinc/83/44/68/821834468.db2.gz FSMXKYJHQYRHNG-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Fc1ccc2ccnc(-c3ccc(-c4nn[n-]n4)cc3)c2c1 ZINC001241441203 821834473 /nfs/dbraw/zinc/83/44/73/821834473.db2.gz FSMXKYJHQYRHNG-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Fc1c2cc[nH]c2ccc1-c1ccc(-c2nnn[n-]2)cc1 ZINC001241442711 821836597 /nfs/dbraw/zinc/83/65/97/821836597.db2.gz DGNSWDWSZDOWDX-UHFFFAOYSA-N -1 3 279.278 3.154 20 0 CGADHM Fc1c2cc[nH]c2ccc1-c1ccc(-c2nn[n-]n2)cc1 ZINC001241442711 821836602 /nfs/dbraw/zinc/83/66/02/821836602.db2.gz DGNSWDWSZDOWDX-UHFFFAOYSA-N -1 3 279.278 3.154 20 0 CGADHM CCCOc1ccc(F)cc1-c1ccc(-c2nnn[n-]2)cc1 ZINC001241446138 821841412 /nfs/dbraw/zinc/84/14/12/821841412.db2.gz MNXKBDMYMCESDB-UHFFFAOYSA-N -1 3 298.321 3.462 20 0 CGADHM CCCOc1ccc(F)cc1-c1ccc(-c2nn[n-]n2)cc1 ZINC001241446138 821841426 /nfs/dbraw/zinc/84/14/26/821841426.db2.gz MNXKBDMYMCESDB-UHFFFAOYSA-N -1 3 298.321 3.462 20 0 CGADHM Cc1ccc2ncc(-c3ccc(-c4nnn[n-]4)cc3)cc2c1 ZINC001241446480 821843650 /nfs/dbraw/zinc/84/36/50/821843650.db2.gz YSCZMIMOFFTHKP-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM Cc1ccc2ncc(-c3ccc(-c4nn[n-]n4)cc3)cc2c1 ZINC001241446480 821843658 /nfs/dbraw/zinc/84/36/58/821843658.db2.gz YSCZMIMOFFTHKP-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM CCc1cccc(-c2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC001241546664 821937378 /nfs/dbraw/zinc/93/73/78/821937378.db2.gz GJLLNUBHWYTYGV-UHFFFAOYSA-N -1 3 268.295 3.235 20 0 CGADHM CCc1cccc(-c2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC001241546664 821937384 /nfs/dbraw/zinc/93/73/84/821937384.db2.gz GJLLNUBHWYTYGV-UHFFFAOYSA-N -1 3 268.295 3.235 20 0 CGADHM Fc1cc(-c2nnn[n-]2)cc(-c2ccc3ccncc3c2)c1 ZINC001241677160 822060500 /nfs/dbraw/zinc/06/05/00/822060500.db2.gz BVVNOJFOUYLBEX-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Fc1cc(-c2nn[n-]n2)cc(-c2ccc3ccncc3c2)c1 ZINC001241677160 822060510 /nfs/dbraw/zinc/06/05/10/822060510.db2.gz BVVNOJFOUYLBEX-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM S=c1ccc(-c2ccc(-c3ccccc3)nc2)n[n-]1 ZINC001241790480 822146355 /nfs/dbraw/zinc/14/63/55/822146355.db2.gz GHOAJHJTEUMIMM-UHFFFAOYSA-N -1 3 265.341 3.494 20 0 CGADHM CO[C@H](C)c1cccc(-c2cccc(-c3nnn[n-]3)c2)c1 ZINC001242036941 822299270 /nfs/dbraw/zinc/29/92/70/822299270.db2.gz KOTJRFLVEBYHKF-LLVKDONJSA-N -1 3 280.331 3.241 20 0 CGADHM CO[C@H](C)c1cccc(-c2cccc(-c3nn[n-]n3)c2)c1 ZINC001242036941 822299273 /nfs/dbraw/zinc/29/92/73/822299273.db2.gz KOTJRFLVEBYHKF-LLVKDONJSA-N -1 3 280.331 3.241 20 0 CGADHM CC(C)Oc1ccc(-c2ccc(=S)[n-]n2)cc1F ZINC001242199614 822908415 /nfs/dbraw/zinc/90/84/15/822908415.db2.gz LARBTPLDNUEEOX-UHFFFAOYSA-N -1 3 264.325 3.359 20 0 CGADHM COC(=O)c1cc2[nH]ccc2cc1-c1ccc(F)cc1[O-] ZINC001242217476 822914005 /nfs/dbraw/zinc/91/40/05/822914005.db2.gz CNIJETRFPVLQAI-UHFFFAOYSA-N -1 3 285.274 3.466 20 0 CGADHM COC(=O)c1cc(-c2ccc(F)cc2[O-])c(OC)cc1F ZINC001242216693 822914334 /nfs/dbraw/zinc/91/43/34/822914334.db2.gz CRFXLLOJFWDRJD-UHFFFAOYSA-N -1 3 294.253 3.133 20 0 CGADHM COC(=O)[C@H](C)c1ccc(-c2ccc(F)cc2[O-])cc1 ZINC001242218768 822915422 /nfs/dbraw/zinc/91/54/22/822915422.db2.gz OXTGDTBXDLGUDR-SNVBAGLBSA-N -1 3 274.291 3.475 20 0 CGADHM COC(=O)c1c[nH]c2c1cccc2-c1ccc(F)cc1[O-] ZINC001242219439 822915468 /nfs/dbraw/zinc/91/54/68/822915468.db2.gz TYKHWFPCIMLDIA-UHFFFAOYSA-N -1 3 285.274 3.466 20 0 CGADHM CN1CCOc2ccc(-c3ccc(F)cc3[O-])cc21 ZINC001242221429 822917499 /nfs/dbraw/zinc/91/74/99/822917499.db2.gz LIHMAJBYHQNNES-UHFFFAOYSA-N -1 3 259.280 3.027 20 0 CGADHM Cc1c(F)cc(-c2ccccc2-c2nnn[n-]2)cc1F ZINC001242286863 822939079 /nfs/dbraw/zinc/93/90/79/822939079.db2.gz PDQOEOUKBYMUGU-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM Cc1c(F)cc(-c2ccccc2-c2nn[n-]n2)cc1F ZINC001242286863 822939082 /nfs/dbraw/zinc/93/90/82/822939082.db2.gz PDQOEOUKBYMUGU-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM COc1ncnc2ccc(-c3cccc(F)c3[O-])cc21 ZINC001242351081 822961289 /nfs/dbraw/zinc/96/12/89/822961289.db2.gz OGHFOAOVKFJLLT-UHFFFAOYSA-N -1 3 270.263 3.150 20 0 CGADHM CC1(C)C(=O)Nc2ccc(-c3cccc(F)c3[O-])cc21 ZINC001242350791 822961456 /nfs/dbraw/zinc/96/14/56/822961456.db2.gz KWTLOAMEYYOUOD-UHFFFAOYSA-N -1 3 271.291 3.428 20 0 CGADHM O=C(c1ccc(-c2cccc(F)c2[O-])cc1)N1CCCC1 ZINC001242352392 822961976 /nfs/dbraw/zinc/96/19/76/822961976.db2.gz FYEAFVJPPBAJQB-UHFFFAOYSA-N -1 3 285.318 3.434 20 0 CGADHM CN1CCc2ccc(-c3cccc(C(=O)[O-])c3F)cc2C1 ZINC001242381335 822975553 /nfs/dbraw/zinc/97/55/53/822975553.db2.gz AAKPWWXURWLARE-UHFFFAOYSA-N -1 3 285.318 3.179 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2ccc(-c3cnn(C)c3)cc2)n1 ZINC001342256150 936463116 /nfs/dbraw/zinc/46/31/16/936463116.db2.gz VZUCGQWCXOGYSR-VMPITWQZSA-N -1 3 292.342 3.062 20 0 CGADHM C[C@H](CCCC(=O)[O-])NCc1nc(C(C)(C)C)cs1 ZINC001351742363 937024008 /nfs/dbraw/zinc/02/40/08/937024008.db2.gz KXNXMMZBLGSQLF-SNVBAGLBSA-N -1 3 284.425 3.174 20 0 CGADHM CSc1c(F)cccc1[N-]C(=O)c1c(C)noc1C ZINC001437592222 937295928 /nfs/dbraw/zinc/29/59/28/937295928.db2.gz WFBXILGDLAYKMM-UHFFFAOYSA-N -1 3 280.324 3.405 20 0 CGADHM COc1ccc2c(c1)[C@@H](NC(=O)c1ccccc1[O-])CCC2 ZINC001545935809 937333718 /nfs/dbraw/zinc/33/37/18/937333718.db2.gz SSZSHCXHGMODGW-INIZCTEOSA-N -1 3 297.354 3.208 20 0 CGADHM O=C(CCc1ccc(Cl)c(F)c1)Nc1ncccc1[O-] ZINC001447605051 937369620 /nfs/dbraw/zinc/36/96/20/937369620.db2.gz NOTVUMUHLJEGKM-UHFFFAOYSA-N -1 3 294.713 3.151 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2ccsc2Cl)n1 ZINC001448616683 937376004 /nfs/dbraw/zinc/37/60/04/937376004.db2.gz CFHSWUMWCGOFDT-UHFFFAOYSA-N -1 3 268.725 3.063 20 0 CGADHM C[C@@H]([N-]C(=O)C(F)(F)c1cccc(Cl)c1)c1ncc[nH]1 ZINC001450209525 937383886 /nfs/dbraw/zinc/38/38/86/937383886.db2.gz ILSDDICHBIPVFN-MRVPVSSYSA-N -1 3 299.708 3.032 20 0 CGADHM O=C(N[C@H]1CC12CC2)c1cc(Cc2ccccc2)ccc1[O-] ZINC001451982689 937392968 /nfs/dbraw/zinc/39/29/68/937392968.db2.gz PDINKUXQDYYNTI-KRWDZBQOSA-N -1 3 293.366 3.265 20 0 CGADHM CCCO[N-]C(=O)CCCc1ccc(CCC)cc1 ZINC001452282959 937394507 /nfs/dbraw/zinc/39/45/07/937394507.db2.gz OXBLGQJJBZJIFB-UHFFFAOYSA-N -1 3 263.381 3.420 20 0 CGADHM CSc1ccc([O-])c(C(=O)N[C@@]23C[C@@H]2CCCC3)c1 ZINC001454706670 937411566 /nfs/dbraw/zinc/41/15/66/937411566.db2.gz OFGKOTTZWIUIDY-BONVTDFDSA-N -1 3 277.389 3.177 20 0 CGADHM CC1(C)CCC[C@@H]1CCNC(=O)c1c([O-])cccc1O ZINC001457945020 937447759 /nfs/dbraw/zinc/44/77/59/937447759.db2.gz AWAJWDIFILCAFL-LLVKDONJSA-N -1 3 277.364 3.044 20 0 CGADHM [O-]c1cc(O)cc(O[C@H]2C[C@H]3C=C[C@@H]2C3)c1Br ZINC001229099595 932093787 /nfs/dbraw/zinc/09/37/87/932093787.db2.gz MGERNSHAJPRRTL-RNSXUZJQSA-N -1 3 297.148 3.204 20 0 CGADHM Cc1nocc1[N-]C(=O)c1ccc(C(F)(F)F)s1 ZINC001461253100 937571969 /nfs/dbraw/zinc/57/19/69/937571969.db2.gz JDNXKVDUAKQOAN-UHFFFAOYSA-N -1 3 276.239 3.316 20 0 CGADHM Cc1nc(O[C@H]2CCc3c2cc(F)cc3F)c(C)c(=O)[n-]1 ZINC001229687232 932469980 /nfs/dbraw/zinc/46/99/80/932469980.db2.gz CGGPIJXDKQPWIQ-ZDUSSCGKSA-N -1 3 292.285 3.144 20 0 CGADHM Cc1cccc2c1[C@H](Oc1ccccc1-c1nnn[n-]1)CC2 ZINC001229958754 932509881 /nfs/dbraw/zinc/50/98/81/932509881.db2.gz WEGOUXPBQXJQAR-OAHLLOKOSA-N -1 3 292.342 3.241 20 0 CGADHM Cc1cccc2c1[C@H](Oc1ccccc1-c1nn[n-]n1)CC2 ZINC001229958754 932509885 /nfs/dbraw/zinc/50/98/85/932509885.db2.gz WEGOUXPBQXJQAR-OAHLLOKOSA-N -1 3 292.342 3.241 20 0 CGADHM Cc1ccc2c(c1)[C@@H](Oc1ccccc1-c1nnn[n-]1)CC2 ZINC001229956142 932510486 /nfs/dbraw/zinc/51/04/86/932510486.db2.gz CLNBTHNVZYJBKO-INIZCTEOSA-N -1 3 292.342 3.241 20 0 CGADHM Cc1ccc2c(c1)[C@@H](Oc1ccccc1-c1nn[n-]n1)CC2 ZINC001229956142 932510492 /nfs/dbraw/zinc/51/04/92/932510492.db2.gz CLNBTHNVZYJBKO-INIZCTEOSA-N -1 3 292.342 3.241 20 0 CGADHM O=c1nc(O[C@@H]2C[C@H]3C[C@H]3C2)c(-c2ccccc2)c[n-]1 ZINC001230975684 932651257 /nfs/dbraw/zinc/65/12/57/932651257.db2.gz RRJWMSUJWIJPFY-CLLJXQQHSA-N -1 3 268.316 3.027 20 0 CGADHM CC(C)[C@@H](C)Oc1nc(=O)[n-]cc1-c1ccccc1 ZINC001230973635 932651925 /nfs/dbraw/zinc/65/19/25/932651925.db2.gz IFHDXLWGENPXSZ-LLVKDONJSA-N -1 3 258.321 3.273 20 0 CGADHM C[C@@H]1CC[C@H](C)[C@@H](Oc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001231072396 932671579 /nfs/dbraw/zinc/67/15/79/932671579.db2.gz CDPHPWFUZIQTIO-SUNKGSAMSA-N -1 3 272.352 3.070 20 0 CGADHM C[C@@H]1CCC[C@@H](Oc2ccc(-c3nn[n-]n3)cc2)[C@@H]1C ZINC001231076816 932672163 /nfs/dbraw/zinc/67/21/63/932672163.db2.gz MYQSWTDEDYRHAG-JTNHKYCSSA-N -1 3 272.352 3.070 20 0 CGADHM c1ccc([C@H](Oc2ccc(-c3nn[n-]n3)cc2)C2CC2)cc1 ZINC001231074097 932672339 /nfs/dbraw/zinc/67/23/39/932672339.db2.gz KTAMGWQVWWIKGP-INIZCTEOSA-N -1 3 292.342 3.397 20 0 CGADHM CCc1ccc(C(=O)NC(C)(C)/C=C\Cl)c([O-])c1 ZINC001303796179 932834970 /nfs/dbraw/zinc/83/49/70/932834970.db2.gz XYDXGTDXPKXDNE-FPLPWBNLSA-N -1 3 267.756 3.216 20 0 CGADHM CC[C@H]1c2ccccc2CN1C(=O)c1c([O-])cccc1O ZINC001306903121 932893579 /nfs/dbraw/zinc/89/35/79/932893579.db2.gz OETDMJVSPCLXNX-ZDUSSCGKSA-N -1 3 283.327 3.205 20 0 CGADHM COc1ccc2c(c1)CCN(Cc1ccc([O-])c(F)c1)C2 ZINC001462448652 937641620 /nfs/dbraw/zinc/64/16/20/937641620.db2.gz XVOBUSHTVKJJKT-UHFFFAOYSA-N -1 3 287.334 3.098 20 0 CGADHM CSc1ccc(NC(=O)Cc2ccc([O-])c(F)c2)cc1 ZINC001463780791 937680914 /nfs/dbraw/zinc/68/09/14/937680914.db2.gz XYXISNISVBJEEW-UHFFFAOYSA-N -1 3 291.347 3.434 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-][C@H](C)[C@@H]2CC3CCC2CC3)o1 ZINC001463992879 937684232 /nfs/dbraw/zinc/68/42/32/937684232.db2.gz LBRJJBCVWJPUHV-RYSNWHEDSA-N -1 3 297.420 3.081 20 0 CGADHM O=C([N-]c1cc(F)c(F)cc1F)c1conc1C1CC1 ZINC001464994215 937697188 /nfs/dbraw/zinc/69/71/88/937697188.db2.gz OCGOHMGSSNCCTR-UHFFFAOYSA-N -1 3 282.221 3.222 20 0 CGADHM CCCOC1(CNC(=O)c2ccccc2[O-])CCCCC1 ZINC001465673622 937702894 /nfs/dbraw/zinc/70/28/94/937702894.db2.gz PVBANLGKHMUKNE-UHFFFAOYSA-N -1 3 291.391 3.252 20 0 CGADHM O=C(Cc1cncc2ccccc21)Nc1cccc([O-])c1F ZINC001466118578 937706491 /nfs/dbraw/zinc/70/64/91/937706491.db2.gz KOZGLVZIPKYKLY-UHFFFAOYSA-N -1 3 296.301 3.261 20 0 CGADHM C[C@@H](NC(=O)c1ccccc1[O-])C1CCCCCC1 ZINC001466757487 937712328 /nfs/dbraw/zinc/71/23/28/937712328.db2.gz RHIBNODOTRENTH-GFCCVEGCSA-N -1 3 261.365 3.481 20 0 CGADHM O=C([N-]OC1CCCCC1)C12CCC(CC1)CC2 ZINC001467347084 937717557 /nfs/dbraw/zinc/71/75/57/937717557.db2.gz NWFIOXBTYLICIB-UHFFFAOYSA-N -1 3 251.370 3.337 20 0 CGADHM Cc1ccc(CC(=O)[N-]OC2CCCC2)cc1Cl ZINC001546166093 937723996 /nfs/dbraw/zinc/72/39/96/937723996.db2.gz HMHZKHDVRKQNHR-UHFFFAOYSA-N -1 3 267.756 3.181 20 0 CGADHM COc1c(OC(=O)c2cncc([O-])c2)ccc2ccccc21 ZINC001468164566 937725148 /nfs/dbraw/zinc/72/51/48/937725148.db2.gz AEZNNVTVSDOXQP-UHFFFAOYSA-N -1 3 295.294 3.168 20 0 CGADHM O=C(Nc1ccsn1)c1cc([O-])c2ccccc2c1 ZINC001471453256 937766041 /nfs/dbraw/zinc/76/60/41/937766041.db2.gz JYCCKDRQDZKISS-UHFFFAOYSA-N -1 3 270.313 3.254 20 0 CGADHM C[C@@H]1CCC[C@H]1CC(=O)[N-]Oc1ccccc1F ZINC001471718216 937768892 /nfs/dbraw/zinc/76/88/92/937768892.db2.gz HFDVLHCYEADQBQ-MNOVXSKESA-N -1 3 251.301 3.062 20 0 CGADHM CCc1cccc(NC(=O)c2cc(C)ccc2[O-])c1O ZINC001472183025 937773803 /nfs/dbraw/zinc/77/38/03/937773803.db2.gz KLPVFZTVOFKQHA-UHFFFAOYSA-N -1 3 271.316 3.221 20 0 CGADHM CCC(CC)(CNC(=O)Cc1ccc([O-])c(F)c1)SC ZINC001324411678 934499071 /nfs/dbraw/zinc/49/90/71/934499071.db2.gz DQIOZPHLFHJCTA-UHFFFAOYSA-N -1 3 299.411 3.112 20 0 CGADHM CCc1ccc(C(=O)NCCCc2ccsc2)c([O-])c1 ZINC001472413798 937776082 /nfs/dbraw/zinc/77/60/82/937776082.db2.gz QSWHRRUFDGOCPJ-UHFFFAOYSA-N -1 3 289.400 3.379 20 0 CGADHM Cc1ccccc1OCCC(=O)Nc1cccc([O-])c1F ZINC001324550368 934522890 /nfs/dbraw/zinc/52/28/90/934522890.db2.gz OAVGSQOUWVYWIN-UHFFFAOYSA-N -1 3 289.306 3.247 20 0 CGADHM Cc1ccc2[n-]cc(C(=O)Nc3cccc(F)c3)c(=O)c2c1 ZINC001472482619 937776929 /nfs/dbraw/zinc/77/69/29/937776929.db2.gz YDCWMKFHQOIKQY-UHFFFAOYSA-N -1 3 296.301 3.228 20 0 CGADHM Cc1ccc(C(=O)NC[C@@]2(C)CC2(Cl)Cl)c([O-])c1 ZINC001328065963 935114460 /nfs/dbraw/zinc/11/44/60/935114460.db2.gz DDRFQEBRZCRRGN-GFCCVEGCSA-N -1 3 288.174 3.014 20 0 CGADHM CC1(C)CN(Cc2nnc(-c3ccccc3[O-])o2)C1(C)C ZINC001331758266 935407843 /nfs/dbraw/zinc/40/78/43/935407843.db2.gz JQEVBOIRZJKDMN-UHFFFAOYSA-N -1 3 287.363 3.063 20 0 CGADHM CC(C)c1ccc(C(=O)N2CCCSC2)c([O-])c1 ZINC001336132467 936177646 /nfs/dbraw/zinc/17/76/46/936177646.db2.gz USFCRCUTTIFWSZ-UHFFFAOYSA-N -1 3 265.378 3.052 20 0 CGADHM CC(C)(C)O[N-]C(=O)CCc1ccccc1C(F)(F)F ZINC001336796162 936217898 /nfs/dbraw/zinc/21/78/98/936217898.db2.gz CGOWVGRILDWWKW-UHFFFAOYSA-N -1 3 289.297 3.484 20 0 CGADHM Cc1cccnc1NCc1cccc([O-])c1Br ZINC001473939699 937831304 /nfs/dbraw/zinc/83/13/04/937831304.db2.gz SPGULPRADCRDOO-UHFFFAOYSA-N -1 3 293.164 3.470 20 0 CGADHM O=C([N-]c1cc(C(F)(F)F)no1)c1sccc1F ZINC001530808863 938079450 /nfs/dbraw/zinc/07/94/50/938079450.db2.gz OEQAFGBHOHMXIP-UHFFFAOYSA-N -1 3 280.202 3.146 20 0 CGADHM O=C([N-]c1nocc1C1CC1)c1c(F)cccc1F ZINC001537277400 938109121 /nfs/dbraw/zinc/10/91/21/938109121.db2.gz HFFAOWHDMBBTEC-UHFFFAOYSA-N -1 3 264.231 3.083 20 0 CGADHM Cc1nocc1[N-]C(=O)c1cc(Br)cs1 ZINC001537836571 938113812 /nfs/dbraw/zinc/11/38/12/938113812.db2.gz DPCCNUKPEBJEJT-UHFFFAOYSA-N -1 3 287.138 3.059 20 0 CGADHM CCc1ccc(C(=O)NC2CCCCCC2)c([O-])c1 ZINC001540262108 938129197 /nfs/dbraw/zinc/12/91/97/938129197.db2.gz XECKLLUOBREALD-UHFFFAOYSA-N -1 3 261.365 3.407 20 0 CGADHM CC1(C)[C@H](NCc2ccc(C(=O)[O-])o2)[C@@H]1c1ccccc1 ZINC001550346111 938166026 /nfs/dbraw/zinc/16/60/26/938166026.db2.gz XVGVZZAUPBWFJN-LSDHHAIUSA-N -1 3 285.343 3.260 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)NC[C@@H]1CCCC2(CC2)C1 ZINC001551831201 938187410 /nfs/dbraw/zinc/18/74/10/938187410.db2.gz VAUCPEWGQDBDCG-CYBMUJFWSA-N -1 3 291.366 3.160 20 0 CGADHM C[C@@H]1Cc2cc(C(=O)Nc3cc(F)ccc3[O-])ccc2O1 ZINC001556082254 938201645 /nfs/dbraw/zinc/20/16/45/938201645.db2.gz HCAJETQXJIQYTL-SECBINFHSA-N -1 3 287.290 3.107 20 0 CGADHM C[C@@H](CCc1ccc(F)cc1)C(=O)Nc1ncccc1[O-] ZINC001556164795 938202110 /nfs/dbraw/zinc/20/21/10/938202110.db2.gz QBBNCZWNFAJCSE-NSHDSACASA-N -1 3 288.322 3.134 20 0 CGADHM CCc1ccc(C(=O)NC[C@H](SC)C(C)(C)C)c([O-])c1 ZINC001556174059 938202130 /nfs/dbraw/zinc/20/21/30/938202130.db2.gz XWSVEXXCGHDJFN-AWEZNQCLSA-N -1 3 295.448 3.462 20 0 CGADHM COc1ccc(C(=O)NCc2cccc(C(C)C)c2)c([O-])c1 ZINC001556248601 938202713 /nfs/dbraw/zinc/20/27/13/938202713.db2.gz NXGWUZPAZCEZCB-UHFFFAOYSA-N -1 3 299.370 3.454 20 0 CGADHM Cc1ccc(C(=O)Nc2cc(O)ccc2C)c([O-])c1C ZINC001557938971 938212554 /nfs/dbraw/zinc/21/25/54/938212554.db2.gz BHAPEYYVESCVKV-UHFFFAOYSA-N -1 3 271.316 3.275 20 0 CGADHM CC(C)CC[C@@H](C)Nc1cccc(-c2nnn[n-]2)c1 ZINC000037102112 944604715 /nfs/dbraw/zinc/60/47/15/944604715.db2.gz CFIBFACPTDAJFX-LLVKDONJSA-N -1 3 259.357 3.103 20 0 CGADHM CC(C)CC[C@@H](C)Nc1cccc(-c2nn[n-]n2)c1 ZINC000037102112 944604725 /nfs/dbraw/zinc/60/47/25/944604725.db2.gz CFIBFACPTDAJFX-LLVKDONJSA-N -1 3 259.357 3.103 20 0 CGADHM C[C@](NCc1ccc(F)c(F)c1)(C(=O)[O-])c1ccccc1 ZINC000049576845 957480254 /nfs/dbraw/zinc/48/02/54/957480254.db2.gz ZSODZZTYUAENED-MRXNPFEDSA-N -1 3 291.297 3.054 20 0 CGADHM CCCC1CCN(Cc2cc(C(=O)[O-])oc2C)CC1 ZINC000051361715 957505813 /nfs/dbraw/zinc/50/58/13/957505813.db2.gz GWHJOTQBFILGQT-UHFFFAOYSA-N -1 3 265.353 3.298 20 0 CGADHM COc1ccc([C@@H](C)NCc2ccsc2C(=O)[O-])cc1 ZINC000234958098 960378722 /nfs/dbraw/zinc/37/87/22/960378722.db2.gz QLXGTDCZEQHVON-SNVBAGLBSA-N -1 3 291.372 3.306 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)Nc1cncc2ccccc21 ZINC001567152156 961123661 /nfs/dbraw/zinc/12/36/61/961123661.db2.gz ARVDCISNFNSXQW-UHFFFAOYSA-N -1 3 296.301 3.261 20 0 CGADHM CSc1ccc([O-])c(C(=O)NCC2CC(C)(C)C2)c1 ZINC001567710243 961402483 /nfs/dbraw/zinc/40/24/83/961402483.db2.gz JREFHJAJPJXQIB-UHFFFAOYSA-N -1 3 279.405 3.280 20 0 CGADHM Cc1cc(F)ncc1C(=O)Nc1c([O-])cccc1Cl ZINC001569681738 961823732 /nfs/dbraw/zinc/82/37/32/961823732.db2.gz AEEOFCIINVYXTR-UHFFFAOYSA-N -1 3 280.686 3.140 20 0 CGADHM CC(C)(C)[C@H](NCc1c(F)cccc1Cl)C(=O)[O-] ZINC001573817833 962288641 /nfs/dbraw/zinc/28/86/41/962288641.db2.gz LNHBFXGWKNFILI-LLVKDONJSA-N -1 3 273.735 3.068 20 0 CGADHM CC[C@H](C)CCNc1ncc(Cl)c(C)c1-c1nnn[n-]1 ZINC001576652388 962481062 /nfs/dbraw/zinc/48/10/62/962481062.db2.gz QTXVFYKQQSSTIC-QMMMGPOBSA-N -1 3 294.790 3.072 20 0 CGADHM CC[C@H](C)CCNc1ncc(Cl)c(C)c1-c1nn[n-]n1 ZINC001576652388 962481069 /nfs/dbraw/zinc/48/10/69/962481069.db2.gz QTXVFYKQQSSTIC-QMMMGPOBSA-N -1 3 294.790 3.072 20 0 CGADHM CCC[C@@H](C)CCCOc1ccc(-c2nn[n-]n2)cc1 ZINC001577296353 962528782 /nfs/dbraw/zinc/52/87/82/962528782.db2.gz JGWPCMNFCIGLBJ-GFCCVEGCSA-N -1 3 274.368 3.462 20 0 CGADHM Cc1ccccc1[C@H](C)N(C)C(=O)c1ccc(N)cc1[O-] ZINC001579807055 962679816 /nfs/dbraw/zinc/67/98/16/962679816.db2.gz ULQUCJGBBUJBEV-LBPRGKRZSA-N -1 3 284.359 3.116 20 0 CGADHM C=C/C=C/CCOc1c(Cl)cc(F)cc1-c1nnn[n-]1 ZINC001588529690 963274849 /nfs/dbraw/zinc/27/48/49/963274849.db2.gz CYLIEQLZTHRAFI-ONEGZZNKSA-N -1 3 294.717 3.170 20 0 CGADHM C=C/C=C/CCOc1c(Cl)cc(F)cc1-c1nn[n-]n1 ZINC001588529690 963274858 /nfs/dbraw/zinc/27/48/58/963274858.db2.gz CYLIEQLZTHRAFI-ONEGZZNKSA-N -1 3 294.717 3.170 20 0 CGADHM CC(C)(C)CCNc1cccc(Cl)c1-c1nnn[n-]1 ZINC001589127312 963349618 /nfs/dbraw/zinc/34/96/18/963349618.db2.gz IYQPJKYISLHASS-UHFFFAOYSA-N -1 3 279.775 3.368 20 0 CGADHM CC(C)(C)CCNc1cccc(Cl)c1-c1nn[n-]n1 ZINC001589127312 963349626 /nfs/dbraw/zinc/34/96/26/963349626.db2.gz IYQPJKYISLHASS-UHFFFAOYSA-N -1 3 279.775 3.368 20 0 CGADHM CC(C)(CNc1ccc(-c2nn[n-]n2)cc1)CC(F)(F)F ZINC001589293451 963977802 /nfs/dbraw/zinc/97/78/02/963977802.db2.gz ZUDVCVBPSOTEGC-UHFFFAOYSA-N -1 3 299.300 3.257 20 0 CGADHM COc1ccccc1[C@@H](C)NCc1ccccc1CC(=O)[O-] ZINC000317020395 964088093 /nfs/dbraw/zinc/08/80/93/964088093.db2.gz QZYUZQXGFRTPBM-CYBMUJFWSA-N -1 3 299.370 3.173 20 0 CGADHM O=C([O-])c1ccccc1CNCc1coc2ccccc12 ZINC001606522953 974024302 /nfs/dbraw/zinc/02/43/02/974024302.db2.gz RFOBNVMJAXDHGM-UHFFFAOYSA-N -1 3 281.311 3.421 20 0 CGADHM CCc1cccc2cc(CN3CCC[C@]3(C)C(=O)[O-])oc21 ZINC001603975181 974465077 /nfs/dbraw/zinc/46/50/77/974465077.db2.gz MOYVRIGLSXTJRN-QGZVFWFLSA-N -1 3 287.359 3.434 20 0 CGADHM CC[C@H]1CCCC[C@H]1CNCc1ncc(C(=O)[O-])s1 ZINC001595443839 981083718 /nfs/dbraw/zinc/08/37/18/981083718.db2.gz CJDQRYFJNBSBGF-QWRGUYRKSA-N -1 3 282.409 3.147 20 0 CGADHM CCC[C@@H]1CCCN1Cc1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC001595623113 981717210 /nfs/dbraw/zinc/71/72/10/981717210.db2.gz CWLGBUPQHOBRQC-GFCCVEGCSA-N -1 3 287.363 3.026 20 0 CGADHM CCOc1ccc(Cl)cc1CN1CC[C@@H](C(=O)[O-])[C@H]1C ZINC001597106315 986747068 /nfs/dbraw/zinc/74/70/68/986747068.db2.gz NNMTYIOVBAUXQG-ZWNOBZJWSA-N -1 3 297.782 3.034 20 0 CGADHM CCc1[nH]c(CN(CC)Cc2ccccc2)cc1C(=O)[O-] ZINC001597380654 987577867 /nfs/dbraw/zinc/57/78/67/987577867.db2.gz VDQKVPOYBBLNRM-UHFFFAOYSA-N -1 3 286.375 3.297 20 0 CGADHM CC(C)N(Cc1ncc(C(=O)[O-])s1)C1CCCCC1 ZINC001591604569 992844941 /nfs/dbraw/zinc/84/49/41/992844941.db2.gz YISUYDMVPMRDNH-UHFFFAOYSA-N -1 3 282.409 3.384 20 0 CGADHM C[C@H](N[C@H](C(=O)[O-])c1cccc(Cl)c1)c1ccc[nH]1 ZINC001593196548 994155334 /nfs/dbraw/zinc/15/53/34/994155334.db2.gz VVDCJZBOHAPBAC-ZANVPECISA-N -1 3 278.739 3.145 20 0 CGADHM C[C@@H](NCc1ccc(F)cc1)c1cc(C(=O)[O-])cs1 ZINC001593299311 994720807 /nfs/dbraw/zinc/72/08/07/994720807.db2.gz RGUDGCVFEZOZGB-SECBINFHSA-N -1 3 279.336 3.436 20 0 CGADHM C[C@H](NCc1ncc(C(=O)[O-])s1)[C@@H](C)c1ccccc1 ZINC001593317606 994820152 /nfs/dbraw/zinc/82/01/52/994820152.db2.gz RIDKBDVYMCGZHH-MNOVXSKESA-N -1 3 290.388 3.123 20 0 CGADHM C[C@@H](c1ccc(C(=O)[O-])o1)N1CC[C@@H](CC(F)(F)F)C1 ZINC001593686386 996122362 /nfs/dbraw/zinc/12/23/62/996122362.db2.gz ODRQFIOVFDCWLY-IUCAKERBSA-N -1 3 291.269 3.313 20 0 CGADHM CC1(C)CN(C(=O)c2ccc(O)cc2[O-])[C@@H]1c1ccccc1 ZINC000621173288 349466101 /nfs/dbraw/zinc/46/61/01/349466101.db2.gz QVZHPQJZDMONBD-MRXNPFEDSA-N -1 3 297.354 3.321 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)[C@H]2CC2(C)C)c1[O-] ZINC000337456068 214091637 /nfs/dbraw/zinc/09/16/37/214091637.db2.gz WZSGTRALEXIAFX-SECBINFHSA-N -1 3 253.729 3.339 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)[C@@H]2O[C@@H](C)C[C@@H]2C)c1[O-] ZINC000337481763 214111380 /nfs/dbraw/zinc/11/13/80/214111380.db2.gz XEYWFIGONBAHBW-MWODSPESSA-N -1 3 283.755 3.106 20 0 CGADHM CCc1cc(=O)[n-]c(CN[C@@H](C(F)F)C2CCCCC2)n1 ZINC000621402080 349520625 /nfs/dbraw/zinc/52/06/25/349520625.db2.gz SGQROGBIEAANMA-CQSZACIVSA-N -1 3 299.365 3.048 20 0 CGADHM CCOCCCC(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000337649579 214196406 /nfs/dbraw/zinc/19/64/06/214196406.db2.gz JKVWLVJHJSGADT-UHFFFAOYSA-N -1 3 279.380 3.445 20 0 CGADHM C[C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1[O-])n1cccn1 ZINC000337671535 214208810 /nfs/dbraw/zinc/20/88/10/214208810.db2.gz XRTOUIMTRIDCRI-NSHDSACASA-N -1 3 287.363 3.086 20 0 CGADHM Cc1ncc(C(=O)N2CC[C@H](C)c3cccc([O-])c32)s1 ZINC000186269044 282143743 /nfs/dbraw/zinc/14/37/43/282143743.db2.gz XPXJSEFEFCAGDK-VIFPVBQESA-N -1 3 288.372 3.311 20 0 CGADHM CC1(c2cc([N-]C(=O)c3ccc(F)s3)no2)CCCC1 ZINC000621978000 349616286 /nfs/dbraw/zinc/61/62/86/349616286.db2.gz IDKNPCYIJCPLLN-UHFFFAOYSA-N -1 3 294.351 3.381 20 0 CGADHM CCOc1cncc(C=Cc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000621988526 349618110 /nfs/dbraw/zinc/61/81/10/349618110.db2.gz DMPALDXXCUBXNC-ZZXKWVIFSA-N -1 3 283.331 3.024 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)c1ccsc1Cl ZINC000622123023 349632404 /nfs/dbraw/zinc/63/24/04/349632404.db2.gz ZFRMAVRELRTIOM-UHFFFAOYSA-N -1 3 283.784 3.231 20 0 CGADHM O=C(NCC1=CCCC1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622177754 349642109 /nfs/dbraw/zinc/64/21/09/349642109.db2.gz DJLGAHONPITNKH-UHFFFAOYSA-N -1 3 285.265 3.251 20 0 CGADHM Cc1ccc([N-]C(=O)c2ncoc2C(F)(F)F)c(F)c1 ZINC000622286812 349667913 /nfs/dbraw/zinc/66/79/13/349667913.db2.gz PUMOEYRYOGOCFG-UHFFFAOYSA-N -1 3 288.200 3.393 20 0 CGADHM O=C([N-]c1cc(F)c(F)cc1F)c1nc2c(s1)CCC2 ZINC000622355967 349674701 /nfs/dbraw/zinc/67/47/01/349674701.db2.gz VLTRDFNVCZYHCE-UHFFFAOYSA-N -1 3 298.289 3.301 20 0 CGADHM Cc1ccncc1NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622355624 349674719 /nfs/dbraw/zinc/67/47/19/349674719.db2.gz MFMKYYRZLHBGKP-UHFFFAOYSA-N -1 3 296.248 3.367 20 0 CGADHM CCc1cc(C(=O)N2CC(Cc3ccccc3)C2)ccc1[O-] ZINC000368159654 529511366 /nfs/dbraw/zinc/51/13/66/529511366.db2.gz WVIUESARPDCURN-UHFFFAOYSA-N -1 3 295.382 3.269 20 0 CGADHM CCc1cc(C(=O)NC[C@@H]2C[C@H]2C2CCC2)ccc1[O-] ZINC000424902515 529517463 /nfs/dbraw/zinc/51/74/63/529517463.db2.gz CVZIPOVACLBTIB-GJZGRUSLSA-N -1 3 273.376 3.121 20 0 CGADHM CCC[C@]1(NC(=O)c2ccc(C(C)C)cc2[O-])CCOC1 ZINC000622596260 349688721 /nfs/dbraw/zinc/68/87/21/349688721.db2.gz RLIHLLKHYPQEOF-KRWDZBQOSA-N -1 3 291.391 3.205 20 0 CGADHM C[C@H]1CCc2ccccc2[C@H]1NC(=O)c1cccc([O-])c1 ZINC000182952970 290651984 /nfs/dbraw/zinc/65/19/84/290651984.db2.gz UUXBFNZXKPHGJG-SJCJKPOMSA-N -1 3 281.355 3.446 20 0 CGADHM CC(C)OCC(C)(C)NC(=O)c1ccc(C(C)C)cc1[O-] ZINC000622710316 349696714 /nfs/dbraw/zinc/69/67/14/349696714.db2.gz AKUQUKJYFPLKPD-UHFFFAOYSA-N -1 3 293.407 3.449 20 0 CGADHM CCc1cc(NC(=O)c2cccc(OC)c2[O-])ccc1F ZINC000436845018 529552951 /nfs/dbraw/zinc/55/29/51/529552951.db2.gz QXPMTWIVHKJDMX-UHFFFAOYSA-N -1 3 289.306 3.355 20 0 CGADHM Cc1ccc2c(CN3CCC(F)(F)C3)ccc([O-])c2n1 ZINC000338296582 214503743 /nfs/dbraw/zinc/50/37/43/214503743.db2.gz OGBMCSZELGRXII-UHFFFAOYSA-N -1 3 278.302 3.090 20 0 CGADHM CC[C@H](NC(=O)c1ccc(C)c(C)c1[O-])c1nccs1 ZINC000436525614 529565423 /nfs/dbraw/zinc/56/54/23/529565423.db2.gz BOIAJPNDSPSXBR-LBPRGKRZSA-N -1 3 290.388 3.347 20 0 CGADHM CCc1ccc(C(=O)N(CC)CC2CCC2)c([O-])c1 ZINC000436917922 529593723 /nfs/dbraw/zinc/59/37/23/529593723.db2.gz CWAYRQSKPCLHQO-UHFFFAOYSA-N -1 3 261.365 3.217 20 0 CGADHM CCc1ccc(C(=O)N[C@@H](C)CCc2ccco2)c([O-])c1 ZINC000436802607 529606482 /nfs/dbraw/zinc/60/64/82/529606482.db2.gz JCTSGPVWEJXFLZ-LBPRGKRZSA-N -1 3 287.359 3.299 20 0 CGADHM CCc1ccc(C(=O)Nc2cccc(COC)c2)c([O-])c1 ZINC000436813322 529611318 /nfs/dbraw/zinc/61/13/18/529611318.db2.gz ZZLMLLGRYAALLS-UHFFFAOYSA-N -1 3 285.343 3.353 20 0 CGADHM CCc1ccc(C(=O)N2CC[C@@H](C)C[C@H]2C)c([O-])c1 ZINC000425038787 529599486 /nfs/dbraw/zinc/59/94/86/529599486.db2.gz ZOUXESQPOKNZPB-VXGBXAGGSA-N -1 3 261.365 3.215 20 0 CGADHM CCc1ccnc(-c2noc(-c3ccccc3[O-])n2)c1 ZINC000436593240 529624178 /nfs/dbraw/zinc/62/41/78/529624178.db2.gz BAKORFVBGZXOMV-UHFFFAOYSA-N -1 3 267.288 3.067 20 0 CGADHM CCc1ccc(CN[C@@H](C)CCC[C@H](C)C(=O)[O-])o1 ZINC000426694317 529654295 /nfs/dbraw/zinc/65/42/95/529654295.db2.gz IGQCZJROTWOREH-RYUDHWBXSA-N -1 3 267.369 3.211 20 0 CGADHM CCc1ccc(CN[C@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC000426778638 529656529 /nfs/dbraw/zinc/65/65/29/529656529.db2.gz ZITCUGLCDVKGIV-INIZCTEOSA-N -1 3 287.334 3.304 20 0 CGADHM CCc1cnc(NC(=O)c2cc(CC)ccc2[O-])s1 ZINC000440345308 529663676 /nfs/dbraw/zinc/66/36/76/529663676.db2.gz YLPYYISZYMMCFU-UHFFFAOYSA-N -1 3 276.361 3.226 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CC(C)(C)[C@H]2C2CC2)c1 ZINC000427250184 529690848 /nfs/dbraw/zinc/69/08/48/529690848.db2.gz NTCJZIJWMKHDHJ-OAHLLOKOSA-N -1 3 273.376 3.215 20 0 CGADHM COc1ccc(C)cc1[C@@H](C)NC(=O)c1cccc([O-])c1 ZINC000351053627 219076903 /nfs/dbraw/zinc/07/69/03/219076903.db2.gz SQVVVRVEKBJGEI-GFCCVEGCSA-N -1 3 285.343 3.200 20 0 CGADHM C[C@@H](Nc1nc2nncc-2c(O)[n-]1)c1cccc(C2CC2)c1 ZINC000294986796 199285447 /nfs/dbraw/zinc/28/54/47/199285447.db2.gz PZOPAWOCXZEXBO-SECBINFHSA-N -1 3 295.346 3.109 20 0 CGADHM O=c1cc(CSCc2c(F)cccc2F)occ1[O-] ZINC000351289614 219089646 /nfs/dbraw/zinc/08/96/46/219089646.db2.gz NVZJHHMCVWVJFC-UHFFFAOYSA-N -1 3 284.283 3.057 20 0 CGADHM [O-]c1ccc(F)c(CN2CCC3(CCC3)C2)c1F ZINC000351609152 219145357 /nfs/dbraw/zinc/14/53/57/219145357.db2.gz SGMYZFXDMBGHFP-UHFFFAOYSA-N -1 3 253.292 3.046 20 0 CGADHM C[C@H]1CCc2c(C(=O)Nc3ncccc3[O-])csc2C1 ZINC000021901747 344893895 /nfs/dbraw/zinc/89/38/95/344893895.db2.gz IMSJNSFEHWVZMD-VIFPVBQESA-N -1 3 288.372 3.226 20 0 CGADHM COC(=O)c1occc1/C=C/c1ccc2cccc([O-])c2n1 ZINC000028624034 344914574 /nfs/dbraw/zinc/91/45/74/344914574.db2.gz GTJNJQHJTGTOKR-SOFGYWHQSA-N -1 3 295.294 3.490 20 0 CGADHM Cc1ncc(CN(C)C(=O)c2ccc(C)c(C)c2[O-])s1 ZINC000057147903 345174168 /nfs/dbraw/zinc/17/41/68/345174168.db2.gz ODWVPTGLAXZCMF-UHFFFAOYSA-N -1 3 290.388 3.046 20 0 CGADHM Cc1noc(C)c1[N-]C(=O)c1nc2ccccc2s1 ZINC000347133781 282390890 /nfs/dbraw/zinc/39/08/90/282390890.db2.gz DVBNVWQZVYNKPI-UHFFFAOYSA-N -1 3 273.317 3.153 20 0 CGADHM Cc1ncsc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000067145409 345315639 /nfs/dbraw/zinc/31/56/39/345315639.db2.gz APSCBFRQNFPMAW-UHFFFAOYSA-N -1 3 268.725 3.063 20 0 CGADHM O=C(Nc1ccccc1[O-])c1cnc(-c2ccccc2)nc1 ZINC000067287688 345318575 /nfs/dbraw/zinc/31/85/75/345318575.db2.gz GJKLGRZVDWZUTJ-UHFFFAOYSA-N -1 3 291.310 3.102 20 0 CGADHM CC(C)c1ccc(C(=O)NCCc2ccc(O)cc2)c([O-])c1 ZINC000065103260 345268112 /nfs/dbraw/zinc/26/81/12/345268112.db2.gz SYBZJQADTAUQLU-UHFFFAOYSA-N -1 3 299.370 3.194 20 0 CGADHM CC[C@H]1CN(C(=O)c2ccc(C(C)C)cc2[O-])CCS1 ZINC000075385615 345506572 /nfs/dbraw/zinc/50/65/72/345506572.db2.gz GSJDGWIOHDOUES-ZDUSSCGKSA-N -1 3 293.432 3.483 20 0 CGADHM O=C(CC[C@H]1CCCCO1)Nc1ccc([O-])cc1Cl ZINC000085204996 345745175 /nfs/dbraw/zinc/74/51/75/345745175.db2.gz YHCRROAHZMMKJI-LLVKDONJSA-N -1 3 283.755 3.333 20 0 CGADHM CCc1cccc(C(=O)N2CCc3sccc3C2)c1[O-] ZINC000081934420 345720650 /nfs/dbraw/zinc/72/06/50/345720650.db2.gz WRCJNNOXBCZDPS-UHFFFAOYSA-N -1 3 287.384 3.215 20 0 CGADHM CC(C)[C@H]1CCCN(Cc2ccc(C(=O)[O-])o2)CC1 ZINC000083729592 345727038 /nfs/dbraw/zinc/72/70/38/345727038.db2.gz XLSABCXDCIDSHX-LBPRGKRZSA-N -1 3 265.353 3.236 20 0 CGADHM CC(C)CCCN1CCc2ccc(C(=O)[O-])cc2C1 ZINC000127761503 346034924 /nfs/dbraw/zinc/03/49/24/346034924.db2.gz RHUJAFNJVVOUSN-UHFFFAOYSA-N -1 3 261.365 3.179 20 0 CGADHM Cc1cccc(C(=O)NCc2ccc([O-])c(F)c2)c1C ZINC000133006195 346074836 /nfs/dbraw/zinc/07/48/36/346074836.db2.gz OIINBUGQJDNGLT-UHFFFAOYSA-N -1 3 273.307 3.078 20 0 CGADHM C[C@H](NCc1ccc([O-])c(F)c1)c1ccsc1 ZINC000178526153 232392355 /nfs/dbraw/zinc/39/23/55/232392355.db2.gz BGCSTMNJGVQSSF-VIFPVBQESA-N -1 3 251.326 3.444 20 0 CGADHM Cc1ccnc(NC(=O)c2c[n-]nc2-c2ccccc2)c1 ZINC000198171360 346278293 /nfs/dbraw/zinc/27/82/93/346278293.db2.gz FCHZOIHGGKDYOB-UHFFFAOYSA-N -1 3 278.315 3.032 20 0 CGADHM CC(C)C[C@@H](C)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000227031639 346308470 /nfs/dbraw/zinc/30/84/70/346308470.db2.gz NGNMAQQUKCXDFM-DOMZBBRYSA-N -1 3 261.365 3.105 20 0 CGADHM Cc1ccc(F)c(CN2CCC(CCC(=O)[O-])CC2)c1 ZINC000235902158 346338643 /nfs/dbraw/zinc/33/86/43/346338643.db2.gz HMZNHUSENFATQE-UHFFFAOYSA-N -1 3 279.355 3.211 20 0 CGADHM O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1cc(Cl)ccc1F ZINC000300128323 346436047 /nfs/dbraw/zinc/43/60/47/346436047.db2.gz KHNJDXSQWVUBFC-BHYNMZESSA-N -1 3 297.757 3.164 20 0 CGADHM O=C([O-])[C@@H]1CCC[C@H](NCc2ccsc2Cl)C1 ZINC000308357063 346467184 /nfs/dbraw/zinc/46/71/84/346467184.db2.gz OMNVENMIWUHLKF-SCZZXKLOSA-N -1 3 273.785 3.135 20 0 CGADHM Cc1ccc(C(=O)N[C@@H](C2CC2)C2CCC2)c([O-])c1 ZINC000325314478 346491130 /nfs/dbraw/zinc/49/11/30/346491130.db2.gz UMBHQDQUTQAHOQ-OAHLLOKOSA-N -1 3 259.349 3.009 20 0 CGADHM C[C@@H](C(=O)Nc1ccc([O-])cc1Cl)C(C)(F)F ZINC000328182551 346491236 /nfs/dbraw/zinc/49/12/36/346491236.db2.gz NDGMWQSRCKMPIM-LURJTMIESA-N -1 3 263.671 3.275 20 0 CGADHM Cc1ccc([O-])c(C(=O)N[C@H](C2CC2)C2CCC2)c1 ZINC000325302101 346491548 /nfs/dbraw/zinc/49/15/48/346491548.db2.gz QBEHBFZCZIXGPU-HNNXBMFYSA-N -1 3 259.349 3.009 20 0 CGADHM Cc1ccc(CCC(=O)Nc2ccccc2[O-])s1 ZINC000351741923 219192635 /nfs/dbraw/zinc/19/26/35/219192635.db2.gz ZQDKUMSJJUKSTE-UHFFFAOYSA-N -1 3 261.346 3.333 20 0 CGADHM Cc1cccc(C(=O)N2CC(C)(CC(F)(F)F)C2)c1[O-] ZINC000335571123 212280007 /nfs/dbraw/zinc/28/00/07/212280007.db2.gz KMTMWMBRCXDIQT-UHFFFAOYSA-N -1 3 287.281 3.115 20 0 CGADHM CCC[C@]1(C)CCCN(Cc2ccc(C(=O)[O-])cn2)C1 ZINC000584637686 346701381 /nfs/dbraw/zinc/70/13/81/346701381.db2.gz AFBSYUGBDHNBLB-MRXNPFEDSA-N -1 3 276.380 3.182 20 0 CGADHM CSC[C@@H]1CCCN1Cc1ccc(C(=O)[O-])c(Cl)c1 ZINC000593741298 347110419 /nfs/dbraw/zinc/11/04/19/347110419.db2.gz NYNUXVOQHAEQFO-NSHDSACASA-N -1 3 299.823 3.366 20 0 CGADHM C[C@]1(CNCc2cccc([O-])c2Cl)CCCC[C@@H]1O ZINC000339289978 215069906 /nfs/dbraw/zinc/06/99/06/215069906.db2.gz FQNDFUBDOZTPGU-DZGCQCFKSA-N -1 3 283.799 3.076 20 0 CGADHM COC(=O)c1cc([O-])cc(-c2cncc(OC(C)C)c2)c1 ZINC000596638859 347495789 /nfs/dbraw/zinc/49/57/89/347495789.db2.gz RZBMHBZTLMZNSY-UHFFFAOYSA-N -1 3 287.315 3.028 20 0 CGADHM CSC[C@@H]1CCCN1C(=O)c1cc(SC)ccc1[O-] ZINC000597405184 347573780 /nfs/dbraw/zinc/57/37/80/347573780.db2.gz WFCHTVFJEVEUGH-JTQLQIEISA-N -1 3 297.445 3.082 20 0 CGADHM CC[C@H](CSC)N(C)C(=O)c1cc(SC)ccc1[O-] ZINC000597471182 347576868 /nfs/dbraw/zinc/57/68/68/347576868.db2.gz MMWVKESWQFYBOS-SNVBAGLBSA-N -1 3 299.461 3.328 20 0 CGADHM CC[C@@H](CSC)N(C)C(=O)c1cc(SC)ccc1[O-] ZINC000597471181 347576882 /nfs/dbraw/zinc/57/68/82/347576882.db2.gz MMWVKESWQFYBOS-JTQLQIEISA-N -1 3 299.461 3.328 20 0 CGADHM CSC1CCN([C@@H](C)c2cc(C)c(C(=O)[O-])o2)CC1 ZINC000601963750 347929821 /nfs/dbraw/zinc/92/98/21/347929821.db2.gz MFZYUNMIPIRHPY-JTQLQIEISA-N -1 3 283.393 3.175 20 0 CGADHM C[C@H](SCCc1nnn[n-]1)c1ccc(F)c(Cl)c1 ZINC000603340085 348072362 /nfs/dbraw/zinc/07/23/62/348072362.db2.gz SSPKVBOCOBPNER-ZETCQYMHSA-N -1 3 286.763 3.029 20 0 CGADHM C[C@H](SCCc1nn[n-]n1)c1ccc(F)c(Cl)c1 ZINC000603340085 348072366 /nfs/dbraw/zinc/07/23/66/348072366.db2.gz SSPKVBOCOBPNER-ZETCQYMHSA-N -1 3 286.763 3.029 20 0 CGADHM CCCn1c(=O)[n-]nc1SCCc1ccc(CC)cc1 ZINC000604271038 348112643 /nfs/dbraw/zinc/11/26/43/348112643.db2.gz USJFWCHBYOZLDI-UHFFFAOYSA-N -1 3 291.420 3.291 20 0 CGADHM [O-]c1cccc(CN[C@H]2CCC[C@@H]2OC(F)F)c1Cl ZINC000339389899 215141778 /nfs/dbraw/zinc/14/17/78/215141778.db2.gz FPFAMQONATYLRG-ONGXEEELSA-N -1 3 291.725 3.296 20 0 CGADHM CC(C)c1ccc(C(=O)N2CCCOC(C)(C)C2)c([O-])c1 ZINC000605022667 348144608 /nfs/dbraw/zinc/14/46/08/348144608.db2.gz XWWZPVGCIZMZFV-UHFFFAOYSA-N -1 3 291.391 3.157 20 0 CGADHM CCCCn1c(=O)[n-]nc1S[C@H]1CCC[C@H](C)C1 ZINC000605076703 348146437 /nfs/dbraw/zinc/14/64/37/348146437.db2.gz VVDCTHMIUQLEHA-QWRGUYRKSA-N -1 3 269.414 3.455 20 0 CGADHM Cc1ccc([O-])c(NC(=O)C2(c3ccccc3C)CCC2)n1 ZINC000351969028 219268624 /nfs/dbraw/zinc/26/86/24/219268624.db2.gz OABLBYAZPKUCOB-UHFFFAOYSA-N -1 3 296.370 3.464 20 0 CGADHM O=C(Nc1ncccc1[O-])C1CC2(C1)CCCCC2 ZINC000613425977 348600839 /nfs/dbraw/zinc/60/08/39/348600839.db2.gz FPEZATXISUKLAB-UHFFFAOYSA-N -1 3 260.337 3.086 20 0 CGADHM CCOC1(C(=O)Nc2cc(Cl)cc(C)c2[O-])CCC1 ZINC000613035771 348561312 /nfs/dbraw/zinc/56/13/12/348561312.db2.gz PPVLYIVRYJJKQP-UHFFFAOYSA-N -1 3 283.755 3.252 20 0 CGADHM CC1(C)CC[C@@H]1C(=O)N1CCCc2cccc([O-])c21 ZINC000613158230 348569075 /nfs/dbraw/zinc/56/90/75/348569075.db2.gz FMRIPZLKABXBLL-GFCCVEGCSA-N -1 3 259.349 3.108 20 0 CGADHM CCN(CC1CCC1)C(=O)c1cc(SC)ccc1[O-] ZINC000614288127 348665032 /nfs/dbraw/zinc/66/50/32/348665032.db2.gz YEYSLXAATVSCEW-UHFFFAOYSA-N -1 3 279.405 3.376 20 0 CGADHM Cc1ccoc1CC(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000613574390 348619700 /nfs/dbraw/zinc/61/97/00/348619700.db2.gz HYXGHGARQHDLMK-NSHDSACASA-N -1 3 285.343 3.377 20 0 CGADHM C[C@@H]1CC[C@@H](CC(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)C1 ZINC000615137217 348717587 /nfs/dbraw/zinc/71/75/87/348717587.db2.gz BMQQKDVFRSVLPJ-NXEZZACHSA-N -1 3 273.336 3.033 20 0 CGADHM O=C(Nc1c([O-])cccc1Cl)c1onc2c1CCCC2 ZINC000615322407 348731641 /nfs/dbraw/zinc/73/16/41/348731641.db2.gz RWIAXDUVQVHWNH-UHFFFAOYSA-N -1 3 292.722 3.165 20 0 CGADHM CCCC[C@@H](C)C(=O)NCc1ccc([O-])c2ncccc12 ZINC000616022340 348782396 /nfs/dbraw/zinc/78/23/96/348782396.db2.gz FIHWHQSMMNAELL-GFCCVEGCSA-N -1 3 286.375 3.383 20 0 CGADHM CC[C@H](C)[C@H](C)C(=O)NCc1ccc([O-])c2ncccc12 ZINC000616022109 348782411 /nfs/dbraw/zinc/78/24/11/348782411.db2.gz CLGNTQKTMTYMFK-RYUDHWBXSA-N -1 3 286.375 3.239 20 0 CGADHM C[C@@H]1CC[C@H](CC(=O)NCc2ccc([O-])c3ncccc23)C1 ZINC000616024974 348782449 /nfs/dbraw/zinc/78/24/49/348782449.db2.gz IURZXBPJYBLWDU-OLZOCXBDSA-N -1 3 298.386 3.383 20 0 CGADHM CC(=O)c1ccc(C(=O)N[C@@]2(C)CCCC[C@@H]2C)cc1[O-] ZINC000616189624 348796494 /nfs/dbraw/zinc/79/64/94/348796494.db2.gz RDCHTBWOEITZBT-GTNSWQLSSA-N -1 3 289.375 3.293 20 0 CGADHM Cc1ccccc1OCCN(C)Cc1cc([O-])cc(F)c1 ZINC000351988275 219277667 /nfs/dbraw/zinc/27/76/67/219277667.db2.gz FLHRSQOUNBDRKE-UHFFFAOYSA-N -1 3 289.350 3.351 20 0 CGADHM C[C@H]1Cc2ccccc2CN1Cc1cc([O-])cc(F)c1 ZINC000351997335 219281083 /nfs/dbraw/zinc/28/10/83/219281083.db2.gz UDFONQCAOOPPTK-LBPRGKRZSA-N -1 3 271.335 3.478 20 0 CGADHM CC(C)c1nnc(C(=O)Nc2ccc([O-])cc2Cl)s1 ZINC000616939375 348884747 /nfs/dbraw/zinc/88/47/47/348884747.db2.gz BJJZBVXIFJQZHE-UHFFFAOYSA-N -1 3 297.767 3.273 20 0 CGADHM CO[C@@H](C(=O)Nc1ccc([O-])cc1Cl)C1CCCC1 ZINC000616942815 348885977 /nfs/dbraw/zinc/88/59/77/348885977.db2.gz DNRFKOZENDULMQ-CYBMUJFWSA-N -1 3 283.755 3.189 20 0 CGADHM Cc1cc(C)c(-c2cc(=NC(=O)[C@H]3C[C@H]3C)[nH][n-]2)cc1C ZINC000617357409 348951564 /nfs/dbraw/zinc/95/15/64/348951564.db2.gz OBYNGUJKYJZANC-OCCSQVGLSA-N -1 3 283.375 3.018 20 0 CGADHM COc1cccc(C(=O)N2CCC(C3CCC3)CC2)c1[O-] ZINC000617774151 349006532 /nfs/dbraw/zinc/00/65/32/349006532.db2.gz QNIMACSLIQQRHP-UHFFFAOYSA-N -1 3 289.375 3.053 20 0 CGADHM CC(C)c1ccc(C(=O)NC[C@@]2(C)CC2(F)F)c([O-])c1 ZINC000618599929 349117943 /nfs/dbraw/zinc/11/79/43/349117943.db2.gz YZUZTICPDHAQFF-CQSZACIVSA-N -1 3 283.318 3.291 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2sccc2Br)n1 ZINC000352026561 219292268 /nfs/dbraw/zinc/29/22/68/219292268.db2.gz KUJQOMOINWIIKL-NSCUHMNNSA-N -1 3 297.177 3.485 20 0 CGADHM CCc1cc(C(=O)N[C@@H]2CCc3ccc(O)cc32)ccc1[O-] ZINC000618979378 349191451 /nfs/dbraw/zinc/19/14/51/349191451.db2.gz UFYGUEDAUITLME-MRXNPFEDSA-N -1 3 297.354 3.078 20 0 CGADHM COc1cccc(C(=O)N[C@@H]2CC[C@@H]2c2ccccc2)c1[O-] ZINC000619218049 349223540 /nfs/dbraw/zinc/22/35/40/349223540.db2.gz KMJNWBPEOKTIEY-UKRRQHHQSA-N -1 3 297.354 3.077 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2nc3c(s2)C[C@H](C)CC3)n1 ZINC000352039977 219300671 /nfs/dbraw/zinc/30/06/71/219300671.db2.gz LRVGZRKCYQWNLM-VUHVRTRXSA-N -1 3 287.388 3.242 20 0 CGADHM O=C(NC1CCC(C2CCC2)CC1)c1cccc([O-])c1 ZINC000620469404 349374695 /nfs/dbraw/zinc/37/46/95/349374695.db2.gz SMCXKKLFAMGLSC-UHFFFAOYSA-N -1 3 273.376 3.481 20 0 CGADHM CCc1ccc(C(=O)NCC(C)(C)c2ccncc2)c([O-])c1 ZINC000188945841 542250541 /nfs/dbraw/zinc/25/05/41/542250541.db2.gz XFTCSXKFCJGVBR-UHFFFAOYSA-N -1 3 298.386 3.057 20 0 CGADHM CC[C@@H]1CO[C@@H](C)CN1Cc1cc([O-])ccc1Cl ZINC000625081222 350125610 /nfs/dbraw/zinc/12/56/10/350125610.db2.gz MLOOTJAIRMYHEB-CMPLNLGQSA-N -1 3 269.772 3.045 20 0 CGADHM [O-]c1ccc(Cl)c(CN2CCOC[C@H]2c2ccco2)c1 ZINC000625174364 350136609 /nfs/dbraw/zinc/13/66/09/350136609.db2.gz ORJOVQIFOXPFCK-AWEZNQCLSA-N -1 3 293.750 3.212 20 0 CGADHM CN(CCOC(C)(C)C)Cc1cc([O-])ccc1Cl ZINC000625223415 350143286 /nfs/dbraw/zinc/14/32/86/350143286.db2.gz ULHIHHZXWPSNPQ-UHFFFAOYSA-N -1 3 271.788 3.293 20 0 CGADHM CO[C@@H]1CCN(Cc2cc([O-])ccc2Cl)CC1(C)C ZINC000625456222 350174603 /nfs/dbraw/zinc/17/46/03/350174603.db2.gz ACMLWVXTPJVIFR-CQSZACIVSA-N -1 3 283.799 3.293 20 0 CGADHM CC(C)O[C@H]1CCCN(Cc2cc([O-])ccc2Cl)C1 ZINC000625511646 350179490 /nfs/dbraw/zinc/17/94/90/350179490.db2.gz UNXXVWYGDZWQRP-AWEZNQCLSA-N -1 3 283.799 3.435 20 0 CGADHM COc1cccc(C[C@@H](C)NC(=O)c2c(C)cccc2[O-])c1 ZINC000625530283 350181531 /nfs/dbraw/zinc/18/15/31/350181531.db2.gz CADWWZAGJPNKNL-CYBMUJFWSA-N -1 3 299.370 3.070 20 0 CGADHM Cc1ccc(C(=O)N2CCC[C@@H]2C(C)C)c([O-])c1C ZINC000271311933 191066865 /nfs/dbraw/zinc/06/68/65/191066865.db2.gz WVXJGLPYPQDAAK-CQSZACIVSA-N -1 3 261.365 3.270 20 0 CGADHM C[C@@H]1CN(Cc2ccc(C(=O)[O-])cc2)C[C@@H](C)C1(F)F ZINC000625971083 350237812 /nfs/dbraw/zinc/23/78/12/350237812.db2.gz KIYSHNMVUWSOLF-GHMZBOCLSA-N -1 3 283.318 3.108 20 0 CGADHM CCC[C@@H]1SCCN1C(=O)c1ccc(C)cc1[O-] ZINC000271337517 191083120 /nfs/dbraw/zinc/08/31/20/191083120.db2.gz WGGPZJBUSMDLIH-ZDUSSCGKSA-N -1 3 265.378 3.016 20 0 CGADHM CCO[C@@H](C(=O)N1CC[C@@H](C)c2cccc([O-])c21)C1CC1 ZINC000626481999 350311771 /nfs/dbraw/zinc/31/17/71/350311771.db2.gz BNAOCZNGDYYHLA-BDJLRTHQSA-N -1 3 289.375 3.048 20 0 CGADHM Cc1cccc([O-])c1C(=O)NC[C@@H]1CCCC(F)(F)C1 ZINC000626908307 350345861 /nfs/dbraw/zinc/34/58/61/350345861.db2.gz ZFTLKQABDFZHAY-LLVKDONJSA-N -1 3 283.318 3.256 20 0 CGADHM CCN(C(=O)c1c(C)cccc1[O-])C1CC(C)(C)C1 ZINC000627763351 350381185 /nfs/dbraw/zinc/38/11/85/350381185.db2.gz GRFLJKZFTBPHKK-UHFFFAOYSA-N -1 3 261.365 3.351 20 0 CGADHM Cc1ccc(C(C)(C)CNC(=O)c2ccc([O-])c(C)c2)nc1 ZINC000628719742 350597828 /nfs/dbraw/zinc/59/78/28/350597828.db2.gz SEHOBTVBEIHVDJ-UHFFFAOYSA-N -1 3 298.386 3.112 20 0 CGADHM C[C@@H]1CN(CCc2ccccc2C(=O)[O-])C[C@H](C)C1(F)F ZINC000629364256 350678123 /nfs/dbraw/zinc/67/81/23/350678123.db2.gz KYGUTHYGSKWXBV-TXEJJXNPSA-N -1 3 297.345 3.150 20 0 CGADHM C[C@@H]1CN([C@@H](C(=O)[O-])c2ccsc2)C[C@H](C)C1(F)F ZINC000629364899 350679233 /nfs/dbraw/zinc/67/92/33/350679233.db2.gz QZAZGQFIVLODIB-WCABBAIRSA-N -1 3 289.347 3.097 20 0 CGADHM CC/C=C/CCN1CCC(c2ncc(C(=O)[O-])s2)CC1 ZINC000629369214 350680551 /nfs/dbraw/zinc/68/05/51/350680551.db2.gz QTHKUANHZJKTCH-ONEGZZNKSA-N -1 3 294.420 3.377 20 0 CGADHM O=C([O-])[C@@H]1CCN(Cc2ccc(F)cc2F)[C@@H]2CCC[C@H]21 ZINC000629374220 350682488 /nfs/dbraw/zinc/68/24/88/350682488.db2.gz QATPASVGBXMQMS-GZBFAFLISA-N -1 3 295.329 3.040 20 0 CGADHM CCCc1nnc([N-]C(=O)c2cscc2Cl)s1 ZINC000630801226 350890021 /nfs/dbraw/zinc/89/00/21/350890021.db2.gz UOOYRLQYSTZMQB-UHFFFAOYSA-N -1 3 287.797 3.458 20 0 CGADHM O=C(N[C@@H]1CC12CCCCC2)c1cc(=O)c2ccccc2[n-]1 ZINC000271429166 191132455 /nfs/dbraw/zinc/13/24/55/191132455.db2.gz WEWAYCQSGVPWRE-MRXNPFEDSA-N -1 3 296.370 3.393 20 0 CGADHM Cc1ccc(C(=O)N2CCC[C@H](c3cccnc3)C2)c([O-])c1 ZINC000633539908 351318845 /nfs/dbraw/zinc/31/88/45/351318845.db2.gz LRBWFYHBDSTLRX-HNNXBMFYSA-N -1 3 296.370 3.115 20 0 CGADHM CC(=O)c1cccc(NC(=O)C2CCC(F)(F)CC2)c1[O-] ZINC000336512425 213390830 /nfs/dbraw/zinc/39/08/30/213390830.db2.gz KNHYIELVVOEWOV-UHFFFAOYSA-N -1 3 297.301 3.359 20 0 CGADHM Cc1ccc(-n2[n-]c(-c3ccccc3)c(C(C)C)c2=O)nc1 ZINC000634598670 351535278 /nfs/dbraw/zinc/53/52/78/351535278.db2.gz PZMYTMVNKRKVDW-INIZCTEOSA-N -1 3 293.370 3.413 20 0 CGADHM CCOc1c(Cl)cccc1CNCCCCC(=O)[O-] ZINC000635313988 351649795 /nfs/dbraw/zinc/64/97/95/351649795.db2.gz TUNBAGDMOZJOME-UHFFFAOYSA-N -1 3 285.771 3.083 20 0 CGADHM O=C(C1CCC=CCC1)N1CCCc2cccc([O-])c21 ZINC000635752645 351688480 /nfs/dbraw/zinc/68/84/80/351688480.db2.gz HHELHYZLBLZKPO-UHFFFAOYSA-N -1 3 271.360 3.418 20 0 CGADHM O=C(Nc1ccc([O-])cc1F)c1cccnc1C1CC1 ZINC000336497528 213370395 /nfs/dbraw/zinc/37/03/95/213370395.db2.gz NMEHZPZROYIIQI-UHFFFAOYSA-N -1 3 272.279 3.056 20 0 CGADHM CC[C@H](C)[C@@H](C)NC(=O)Cc1ccc([O-])cc1Cl ZINC000122947003 187061604 /nfs/dbraw/zinc/06/16/04/187061604.db2.gz QXWQOVYTDKDFRQ-VHSXEESVSA-N -1 3 269.772 3.139 20 0 CGADHM CCc1cc(C(=O)N[C@H]2CCc3c2cccc3O)ccc1[O-] ZINC000291948862 198114081 /nfs/dbraw/zinc/11/40/81/198114081.db2.gz OAIQACDCDIZQEE-HNNXBMFYSA-N -1 3 297.354 3.078 20 0 CGADHM CCc1nc(C)c(C(=O)Nc2ccc([O-])cc2F)s1 ZINC000336479312 213349973 /nfs/dbraw/zinc/34/99/73/213349973.db2.gz FEBUZIXTDUTILW-UHFFFAOYSA-N -1 3 280.324 3.111 20 0 CGADHM CC1(C)CCC(CC(=O)[N-]OCc2cccnc2)CC1 ZINC000152674207 188035908 /nfs/dbraw/zinc/03/59/08/188035908.db2.gz VCJHZDMTZFENIR-UHFFFAOYSA-N -1 3 276.380 3.236 20 0 CGADHM [O-]C(=NO[C@H]1CCCCO1)Nc1ccc2ccccc2c1 ZINC000153213466 188071066 /nfs/dbraw/zinc/07/10/66/188071066.db2.gz PXJPYKZPBAPOFI-HNNXBMFYSA-N -1 3 286.331 3.420 20 0 CGADHM O=C([N-]O[C@H]1CCCCO1)Nc1ccc2ccccc2c1 ZINC000153213466 188071067 /nfs/dbraw/zinc/07/10/67/188071067.db2.gz PXJPYKZPBAPOFI-HNNXBMFYSA-N -1 3 286.331 3.420 20 0 CGADHM Cc1cc(Cl)ccc1NC([O-])=NO[C@@H]1CCCCO1 ZINC000155428086 188205712 /nfs/dbraw/zinc/20/57/12/188205712.db2.gz WHCFBCCHULKIAY-GFCCVEGCSA-N -1 3 284.743 3.228 20 0 CGADHM Cc1cc(Cl)ccc1NC(=O)[N-]O[C@@H]1CCCCO1 ZINC000155428086 188205713 /nfs/dbraw/zinc/20/57/13/188205713.db2.gz WHCFBCCHULKIAY-GFCCVEGCSA-N -1 3 284.743 3.228 20 0 CGADHM CCC[C@H](C)[C@@H]1CCCN1C(=O)c1cccc(OC)c1[O-] ZINC000156052432 188240512 /nfs/dbraw/zinc/24/05/12/188240512.db2.gz XAOLISZIDSGPDC-JSGCOSHPSA-N -1 3 291.391 3.442 20 0 CGADHM Cc1ccc(Cl)cc1NC(=O)[N-]OCC1CC1 ZINC000292526314 198320954 /nfs/dbraw/zinc/32/09/54/198320954.db2.gz FGBVAYYIVKPSMV-UHFFFAOYSA-N -1 3 254.717 3.112 20 0 CGADHM O=C(N[C@H]1CCO[C@H](c2ccccc2)C1)c1cccc([O-])c1 ZINC000158636865 188386229 /nfs/dbraw/zinc/38/62/29/188386229.db2.gz PTAFVYNFGMEUKR-RDJZCZTQSA-N -1 3 297.354 3.042 20 0 CGADHM O=C(N[C@H]1C[C@H](c2cccc(F)c2)C1)c1cccc([O-])c1 ZINC000336430590 213291692 /nfs/dbraw/zinc/29/16/92/213291692.db2.gz YQGQBCYLGVHLHZ-CTYIDZIISA-N -1 3 285.318 3.207 20 0 CGADHM C[C@@H](CC(=O)[N-]OC1CCCC1)c1ccc(F)cc1 ZINC000271745219 191303605 /nfs/dbraw/zinc/30/36/05/191303605.db2.gz JLBDFJSVZNIVMA-NSHDSACASA-N -1 3 265.328 3.310 20 0 CGADHM C[C@H](CC(=O)[N-]OC1CCCC1)c1ccc(F)cc1 ZINC000271745216 191304111 /nfs/dbraw/zinc/30/41/11/191304111.db2.gz JLBDFJSVZNIVMA-LLVKDONJSA-N -1 3 265.328 3.310 20 0 CGADHM O=C(/C=C/SCc1ccco1)[N-]OC1CCCC1 ZINC000271837794 191359567 /nfs/dbraw/zinc/35/95/67/191359567.db2.gz XYTUPSFYQNWGEP-VQHVLOKHSA-N -1 3 267.350 3.017 20 0 CGADHM [O-]C(=NOC1CCCC1)Nc1ccc(-c2cc[nH]n2)cc1 ZINC000271802690 191336782 /nfs/dbraw/zinc/33/67/82/191336782.db2.gz KPQBZDLWBNBZJE-UHFFFAOYSA-N -1 3 286.335 3.072 20 0 CGADHM O=C([N-]OC1CCCC1)Nc1ccc(-c2cc[nH]n2)cc1 ZINC000271802690 191336784 /nfs/dbraw/zinc/33/67/84/191336784.db2.gz KPQBZDLWBNBZJE-UHFFFAOYSA-N -1 3 286.335 3.072 20 0 CGADHM C[C@H]1CC(C)(C)CN1C(=O)c1cc([O-])ccc1Cl ZINC000412769340 235212227 /nfs/dbraw/zinc/21/22/27/235212227.db2.gz RUJTVADPVRUFIF-VIFPVBQESA-N -1 3 267.756 3.306 20 0 CGADHM CO[C@@H](CC(C)C)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000416181553 235579137 /nfs/dbraw/zinc/57/91/37/235579137.db2.gz SHHCJGBJWUNPNP-LBPRGKRZSA-N -1 3 271.744 3.045 20 0 CGADHM COc1ccc2c(c1)[C@@H]([N-]c1nc(C(C)C)no1)CCO2 ZINC000274270256 192510948 /nfs/dbraw/zinc/51/09/48/192510948.db2.gz QCYJXRFUXOMUIU-LBPRGKRZSA-N -1 3 289.335 3.137 20 0 CGADHM COc1cccc([C@@H]2C[C@H]2C(=O)Nc2ccccc2[O-])c1 ZINC000106902592 138356329 /nfs/dbraw/zinc/35/63/29/138356329.db2.gz UWGXYIZPVZHYOI-UONOGXRCSA-N -1 3 283.327 3.143 20 0 CGADHM CS[C@@H](C)CC(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000124850092 138378137 /nfs/dbraw/zinc/37/81/37/138378137.db2.gz LSWUWOOFMPTNOA-QMMMGPOBSA-N -1 3 273.785 3.434 20 0 CGADHM CCc1csc([N-]C(=O)c2c(F)ccc(F)c2F)n1 ZINC000336315751 213158347 /nfs/dbraw/zinc/15/83/47/213158347.db2.gz HLHNMBNIULLYHL-UHFFFAOYSA-N -1 3 286.278 3.375 20 0 CGADHM Cc1nc(CN(C)Cc2c(F)ccc([O-])c2F)cs1 ZINC000340566517 215638736 /nfs/dbraw/zinc/63/87/36/215638736.db2.gz BVADNHXTIHVAEZ-UHFFFAOYSA-N -1 3 284.331 3.067 20 0 CGADHM CC(C)=CCC[N-]S(=O)(=O)c1cc(C)c(Cl)s1 ZINC000480694679 535357336 /nfs/dbraw/zinc/35/73/36/535357336.db2.gz NCHGNMASYNIVDQ-UHFFFAOYSA-N -1 3 293.841 3.345 20 0 CGADHM Cc1ccc([C@H](NCc2cccc3cc[nH]c32)C(=O)[O-])cc1 ZINC000426682753 236306671 /nfs/dbraw/zinc/30/66/71/236306671.db2.gz LOBWRUDCJQFOFE-KRWDZBQOSA-N -1 3 294.354 3.392 20 0 CGADHM Cc1ccc([C@@H](NCc2cccc(F)c2)C(=O)[O-])cc1 ZINC000426703647 236307065 /nfs/dbraw/zinc/30/70/65/236307065.db2.gz HDRACPYDVXNMQE-OAHLLOKOSA-N -1 3 273.307 3.050 20 0 CGADHM O=C([O-])[C@H](NCc1cc2ccc(F)cc2[nH]1)c1ccccc1 ZINC000426785002 236313499 /nfs/dbraw/zinc/31/34/99/236313499.db2.gz VAAJTBWKNFSWCD-MRXNPFEDSA-N -1 3 298.317 3.223 20 0 CGADHM O=C([O-])C[C@@H](NCc1ccccc1)c1ccsc1 ZINC000352286180 304074190 /nfs/dbraw/zinc/07/41/90/304074190.db2.gz OTOVWLYLGSNTJY-CYBMUJFWSA-N -1 3 261.346 3.054 20 0 CGADHM C[C@@H]1CCC[C@@]1(C)C(=O)Nc1cccc([O-])c1F ZINC000336186485 213005293 /nfs/dbraw/zinc/00/52/93/213005293.db2.gz WGEPLYASAUUHBY-YMTOWFKASA-N -1 3 251.301 3.296 20 0 CGADHM C[C@@H]1CC[C@H]1NC(=O)CCc1ccc2ccccc2c1[O-] ZINC000451726338 240349503 /nfs/dbraw/zinc/34/95/03/240349503.db2.gz SGVKCQFEOFBSSI-MLGOLLRUSA-N -1 3 283.371 3.393 20 0 CGADHM Cc1cncc(CNC(=O)c2ccc(C(C)C)cc2[O-])c1 ZINC000436527054 237120638 /nfs/dbraw/zinc/12/06/38/237120638.db2.gz KVVRJRQGTQKQMB-UHFFFAOYSA-N -1 3 284.359 3.149 20 0 CGADHM Cc1nn(C)c2cc(NC(=O)c3ccc(C)cc3[O-])ccc12 ZINC000436640806 237149141 /nfs/dbraw/zinc/14/91/41/237149141.db2.gz KBHMNIZINLPNGU-UHFFFAOYSA-N -1 3 295.342 3.148 20 0 CGADHM Cc1ccc(C(=O)NCc2ccc(F)c(C)c2)c([O-])c1C ZINC000436651650 237151666 /nfs/dbraw/zinc/15/16/66/237151666.db2.gz XNKHSBAQPYWONO-UHFFFAOYSA-N -1 3 287.334 3.387 20 0 CGADHM O=C(N[C@@H]1CCC[C@@H]1c1ccccc1)c1c([O-])cccc1O ZINC000436650843 237153726 /nfs/dbraw/zinc/15/37/26/237153726.db2.gz XSHXYUUELMWUPN-ZIAGYGMSSA-N -1 3 297.354 3.164 20 0 CGADHM O=C(NCc1cc(F)c(Cl)cc1F)c1ccccc1[O-] ZINC000436828464 237187647 /nfs/dbraw/zinc/18/76/47/237187647.db2.gz YJXBTDNMBJHZPS-UHFFFAOYSA-N -1 3 297.688 3.254 20 0 CGADHM Cc1ccc(C(=O)NCCOc2ccccc2C)c([O-])c1C ZINC000436687969 237158346 /nfs/dbraw/zinc/15/83/46/237158346.db2.gz SECCZSHBHKGNSV-UHFFFAOYSA-N -1 3 299.370 3.126 20 0 CGADHM Cc1ccc([O-])c(C(=O)NCC[C@@H]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000436697291 237161132 /nfs/dbraw/zinc/16/11/32/237161132.db2.gz JKZMNQMWUQHVFE-BTTYYORXSA-N -1 3 291.391 3.024 20 0 CGADHM Cc1cc(C(=O)N2C[C@H](C)[C@@H]3CCCC[C@H]32)ccc1[O-] ZINC000436740841 237170994 /nfs/dbraw/zinc/17/09/94/237170994.db2.gz RPFAFTDBOYLSPT-AEGPPILISA-N -1 3 273.376 3.351 20 0 CGADHM Cc1ccc(C(=O)N2CCc3c2c(F)ccc3F)c([O-])c1 ZINC000436907750 237208235 /nfs/dbraw/zinc/20/82/35/237208235.db2.gz SZCXKIMZOPWYEL-UHFFFAOYSA-N -1 3 289.281 3.182 20 0 CGADHM COc1cc(NC([O-])=NOC2CCCC2)cc(OC)c1C ZINC000296970580 200050004 /nfs/dbraw/zinc/05/00/04/200050004.db2.gz GKHJEMIHBKFTHD-UHFFFAOYSA-N -1 3 294.351 3.008 20 0 CGADHM COc1cc(NC(=O)[N-]OC2CCCC2)cc(OC)c1C ZINC000296970580 200050006 /nfs/dbraw/zinc/05/00/06/200050006.db2.gz GKHJEMIHBKFTHD-UHFFFAOYSA-N -1 3 294.351 3.008 20 0 CGADHM Cc1cc(O)ccc1-c1nc2ccc(Cl)cc2c(=O)[n-]1 ZINC000436921404 237208407 /nfs/dbraw/zinc/20/84/07/237208407.db2.gz JVPYYNQQMUARAY-UHFFFAOYSA-N -1 3 286.718 3.258 20 0 CGADHM Cc1ccc([O-])c(-c2nc(-c3n[nH]c4ccccc43)no2)c1 ZINC000436930636 237211210 /nfs/dbraw/zinc/21/12/10/237211210.db2.gz XHBFNHLIZYJDED-UHFFFAOYSA-N -1 3 292.298 3.294 20 0 CGADHM Cc1ccccc1C[C@H](C)NC(=O)c1ccc([O-])c(C)c1 ZINC000436932371 237212620 /nfs/dbraw/zinc/21/26/20/237212620.db2.gz NMJJZJRNOFUZDE-AWEZNQCLSA-N -1 3 283.371 3.370 20 0 CGADHM O=C(N[C@H]1C[C@H](c2ccccc2F)C1)c1ccccc1[O-] ZINC000437451115 237287363 /nfs/dbraw/zinc/28/73/63/237287363.db2.gz JBNAPUGSANPCKW-HAQNSBGRSA-N -1 3 285.318 3.207 20 0 CGADHM Cc1cc(Cl)c(NC([O-])=NOC[C@@H]2CCOC2)cc1C ZINC000297415714 200181940 /nfs/dbraw/zinc/18/19/40/200181940.db2.gz NTPRSRQLSAMEKH-LLVKDONJSA-N -1 3 298.770 3.046 20 0 CGADHM Cc1cc(Cl)c(NC(=O)[N-]OC[C@@H]2CCOC2)cc1C ZINC000297415714 200181941 /nfs/dbraw/zinc/18/19/41/200181941.db2.gz NTPRSRQLSAMEKH-LLVKDONJSA-N -1 3 298.770 3.046 20 0 CGADHM CC[C@@H](C)CON=C([O-])Nc1ccccc1OCCF ZINC000297381199 200170353 /nfs/dbraw/zinc/17/03/53/200170353.db2.gz LHQCQVCGSUKSCF-LLVKDONJSA-N -1 3 284.331 3.134 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)Nc1ccccc1OCCF ZINC000297381199 200170355 /nfs/dbraw/zinc/17/03/55/200170355.db2.gz LHQCQVCGSUKSCF-LLVKDONJSA-N -1 3 284.331 3.134 20 0 CGADHM CC[C@@H](C)CON=C([O-])Nc1cccc2ccn(C)c21 ZINC000297681938 200260241 /nfs/dbraw/zinc/26/02/41/200260241.db2.gz GHTCYRARZDEZPW-LLVKDONJSA-N -1 3 275.352 3.278 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)Nc1cccc2ccn(C)c21 ZINC000297681938 200260244 /nfs/dbraw/zinc/26/02/44/200260244.db2.gz GHTCYRARZDEZPW-LLVKDONJSA-N -1 3 275.352 3.278 20 0 CGADHM CCOc1cc(CN2CC[C@H](C)C2)cc(Cl)c1[O-] ZINC000297904033 200301854 /nfs/dbraw/zinc/30/18/54/200301854.db2.gz RTQHLVMHHHVOLX-JTQLQIEISA-N -1 3 269.772 3.286 20 0 CGADHM O=C(NCc1ncccc1[O-])c1ccc(Cl)cc1Cl ZINC000336289130 213129522 /nfs/dbraw/zinc/12/95/22/213129522.db2.gz CRZKMGMNVAXWBG-UHFFFAOYSA-N -1 3 297.141 3.024 20 0 CGADHM C[C@H](C(=O)[N-]C1=NCCS1)c1ccc2ccccc2c1 ZINC000177104499 189029395 /nfs/dbraw/zinc/02/93/95/189029395.db2.gz KIRSFFQHDXGLEQ-NSHDSACASA-N -1 3 284.384 3.162 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N2CCC=C(c3ccccc3)C2)n1 ZINC000341987674 216178778 /nfs/dbraw/zinc/17/87/78/216178778.db2.gz HFBFIXSYFXAWBI-AWEZNQCLSA-N -1 3 295.386 3.341 20 0 CGADHM O=C(NCc1ccc([O-])c(F)c1)N[C@@H]1CC12CCCCC2 ZINC000180540617 189261577 /nfs/dbraw/zinc/26/15/77/189261577.db2.gz RGLXMPLIGMTYID-CQSZACIVSA-N -1 3 292.354 3.053 20 0 CGADHM Cc1cc(C)c(-c2cc(=NC(=O)c3ccoc3)[nH][n-]2)cc1C ZINC000342274105 216286295 /nfs/dbraw/zinc/28/62/95/216286295.db2.gz UUCRRPKJFZKOOA-UHFFFAOYSA-N -1 3 295.342 3.269 20 0 CGADHM O=C(c1cccc([O-])c1)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000182477564 189325233 /nfs/dbraw/zinc/32/52/33/189325233.db2.gz AGWYLBBXUNSSLH-AWEZNQCLSA-N -1 3 299.345 3.236 20 0 CGADHM CC[C@@](C)(NC(=O)c1cccc([O-])c1)c1nc(C)cs1 ZINC000182502820 189326288 /nfs/dbraw/zinc/32/62/88/189326288.db2.gz PSAUDBGAPULIJE-OAHLLOKOSA-N -1 3 290.388 3.212 20 0 CGADHM O=[S@@](CCCOCc1ccccc1)c1ccc([O-])cc1 ZINC000184022470 189374711 /nfs/dbraw/zinc/37/47/11/189374711.db2.gz SIJOSVBTLYCXRI-FQEVSTJZSA-N -1 3 290.384 3.107 20 0 CGADHM CCn1c(=O)[n-]nc1SCCCc1ccccc1Cl ZINC000342527471 216383829 /nfs/dbraw/zinc/38/38/29/216383829.db2.gz YVSDDDCPOBJFAZ-UHFFFAOYSA-N -1 3 297.811 3.382 20 0 CGADHM CO[C@@H]1CCCC[C@H]1[N-]c1nc(-c2ccc(C)cc2)no1 ZINC000302022424 201302424 /nfs/dbraw/zinc/30/24/24/201302424.db2.gz FKHJWAARRQCDSB-ZIAGYGMSSA-N -1 3 287.363 3.415 20 0 CGADHM Cc1ccc(-c2noc([N-]Cc3ncccc3F)n2)cc1 ZINC000302034679 201310488 /nfs/dbraw/zinc/31/04/88/201310488.db2.gz JPEMFRCZNFVLIS-UHFFFAOYSA-N -1 3 284.294 3.191 20 0 CGADHM O=C([N-][C@@H](c1ccc(F)cc1)C(F)(F)F)[C@H]1CC1(F)F ZINC000449932996 239704779 /nfs/dbraw/zinc/70/47/79/239704779.db2.gz YEPIZDMOTAVCHK-BDAKNGLRSA-N -1 3 297.198 3.201 20 0 CGADHM CC(C)[C@@H]1C[C@H]1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000458118152 241824765 /nfs/dbraw/zinc/82/47/65/241824765.db2.gz UFNSKIOFFPSXDY-GXTWGEPZSA-N -1 3 279.355 3.015 20 0 CGADHM C[C@@H]1C[C@@H](C)N(Cc2cc(=O)[n-]c(-c3ccccc3)n2)C1 ZINC000459349525 242085656 /nfs/dbraw/zinc/08/56/56/242085656.db2.gz XOGPZUIBBSIBNV-CHWSQXEVSA-N -1 3 283.375 3.080 20 0 CGADHM CCOc1cc(CN2CC(C)(OCC)C2)cc(Cl)c1[O-] ZINC000459629924 242153364 /nfs/dbraw/zinc/15/33/64/242153364.db2.gz ZSYKHRURGKESGP-UHFFFAOYSA-N -1 3 299.798 3.055 20 0 CGADHM Cc1ccc(F)c(S(=O)(=O)[N-]C2CCC(C)(C)CC2)c1 ZINC000462302930 242336233 /nfs/dbraw/zinc/33/62/33/242336233.db2.gz OCSKCOHOFQACRX-UHFFFAOYSA-N -1 3 299.411 3.381 20 0 CGADHM Cc1ccc(F)c(S(=O)(=O)[N-][C@@H](C)C2CCCCC2)c1 ZINC000462327704 242338134 /nfs/dbraw/zinc/33/81/34/242338134.db2.gz PHYCIYLLRIJPMJ-LBPRGKRZSA-N -1 3 299.411 3.381 20 0 CGADHM C[C@@H]1C(=O)CC[C@H](C(=O)Nc2cc(F)ccc2[O-])C1(C)C ZINC000275910506 193160038 /nfs/dbraw/zinc/16/00/38/193160038.db2.gz DNCRFYKLSZLUMO-MWLCHTKSSA-N -1 3 293.338 3.111 20 0 CGADHM CCOc1nc2cc(C(=O)NC[C@@H]3CC=CCC3)ccc2[n-]1 ZINC000343272452 216712347 /nfs/dbraw/zinc/71/23/47/216712347.db2.gz UJSHURVKSFUTDT-GFCCVEGCSA-N -1 3 299.374 3.048 20 0 CGADHM CCOc1nc2ccc(C(=O)NC[C@@H]3CC=CCC3)cc2[n-]1 ZINC000343272452 216712350 /nfs/dbraw/zinc/71/23/50/216712350.db2.gz UJSHURVKSFUTDT-GFCCVEGCSA-N -1 3 299.374 3.048 20 0 CGADHM CCCCCC(=O)Nc1nnc(-c2c(F)cccc2F)[n-]1 ZINC000478311752 243071682 /nfs/dbraw/zinc/07/16/82/243071682.db2.gz IMCABLFWCHPIPA-UHFFFAOYSA-N -1 3 294.305 3.269 20 0 CGADHM CCCCCC(=O)Nc1nc(-c2c(F)cccc2F)n[n-]1 ZINC000478311752 243071687 /nfs/dbraw/zinc/07/16/87/243071687.db2.gz IMCABLFWCHPIPA-UHFFFAOYSA-N -1 3 294.305 3.269 20 0 CGADHM CCCCCC(=O)Nc1n[n-]c(-c2c(F)cccc2F)n1 ZINC000478311752 243071691 /nfs/dbraw/zinc/07/16/91/243071691.db2.gz IMCABLFWCHPIPA-UHFFFAOYSA-N -1 3 294.305 3.269 20 0 CGADHM Cc1ccc([O-])c(C(=O)NCC(C)(C)c2ccccc2)c1 ZINC000482358526 243223456 /nfs/dbraw/zinc/22/34/56/243223456.db2.gz CXIBZDREAOFUEV-UHFFFAOYSA-N -1 3 283.371 3.408 20 0 CGADHM CC(C)CC[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000485435694 243334240 /nfs/dbraw/zinc/33/42/40/243334240.db2.gz VLUWGNYJYFUHCF-UHFFFAOYSA-N -1 3 296.219 3.318 20 0 CGADHM COC(=O)c1ccsc1[N-]C(=O)c1c(F)cccc1F ZINC000004281391 368540591 /nfs/dbraw/zinc/54/05/91/368540591.db2.gz XXVSJEPPOVRREX-UHFFFAOYSA-N -1 3 297.282 3.065 20 0 CGADHM CCc1cc(C(=O)NC/C=C\c2ccccc2)ccc1[O-] ZINC000486358305 243360588 /nfs/dbraw/zinc/36/05/88/243360588.db2.gz ZWELTAXWNASKCI-TWGQIWQCSA-N -1 3 281.355 3.398 20 0 CGADHM Cc1nc(-c2ccccc2)oc1C(=O)[N-]c1ccncc1F ZINC000122867060 370907486 /nfs/dbraw/zinc/90/74/86/370907486.db2.gz RSTRNVQEROUFLS-UHFFFAOYSA-N -1 3 297.289 3.436 20 0 CGADHM Cc1nnc([N-]C(=O)c2cc(Cl)sc2Cl)s1 ZINC000019627563 368758708 /nfs/dbraw/zinc/75/87/08/368758708.db2.gz RUVYYHXAQWWJAU-UHFFFAOYSA-N -1 3 294.188 3.467 20 0 CGADHM CC(C)[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000023994011 368826236 /nfs/dbraw/zinc/82/62/36/368826236.db2.gz XYFKWUHWRBAZBZ-QMMMGPOBSA-N -1 3 296.219 3.316 20 0 CGADHM O=C(Nc1ccccc1[O-])c1ccccc1OC(F)F ZINC000029065697 368891683 /nfs/dbraw/zinc/89/16/83/368891683.db2.gz IFWBXXDQXHXIBC-UHFFFAOYSA-N -1 3 279.242 3.246 20 0 CGADHM Cc1ccc([O-])c(C(=O)N(C)Cc2ccc(F)cc2)c1 ZINC000036768363 369027478 /nfs/dbraw/zinc/02/74/78/369027478.db2.gz WQHZBOFYIYFULP-UHFFFAOYSA-N -1 3 273.307 3.112 20 0 CGADHM Cc1cccc(CN(C)C(=O)/C=C\c2cncc([O-])c2)c1C ZINC000492990183 244068751 /nfs/dbraw/zinc/06/87/51/244068751.db2.gz GEUWDABDTXTJKB-FPLPWBNLSA-N -1 3 296.370 3.076 20 0 CGADHM C[C@H](O[N-]C(=O)/C=C\c1cccc(CO)c1)c1ccccc1 ZINC000493024184 244079394 /nfs/dbraw/zinc/07/93/94/244079394.db2.gz XYAAIYMXCUIGJM-BMSUMIBZSA-N -1 3 297.354 3.001 20 0 CGADHM C[C@@H]1C[C@@H]1c1ccc(/C=C\C(=O)[N-]OC/C=C\Cl)o1 ZINC000493289494 244134111 /nfs/dbraw/zinc/13/41/11/244134111.db2.gz JZJSKTNBOSSIOE-ABEVSZPESA-N -1 3 281.739 3.217 20 0 CGADHM O=C(/C=C/c1ccc[nH]1)Nc1c([O-])cccc1Cl ZINC000493407305 244157473 /nfs/dbraw/zinc/15/74/73/244157473.db2.gz YYAUTMVNYZBZSI-VOTSOKGWSA-N -1 3 262.696 3.026 20 0 CGADHM O=C(/C=C\c1ccc(C2CC2)cc1)[N-]OCC(F)(F)F ZINC000493415709 244159912 /nfs/dbraw/zinc/15/99/12/244159912.db2.gz CRLBASFVLAKPGC-BAQGIRSFSA-N -1 3 285.265 3.187 20 0 CGADHM CN(Cc1cccc(Cl)c1)C(=O)c1cccc([O-])c1 ZINC000042258666 369208855 /nfs/dbraw/zinc/20/88/55/369208855.db2.gz SQBFJORVCJYRON-UHFFFAOYSA-N -1 3 275.735 3.318 20 0 CGADHM Cc1ccc(NC(=O)[C@@H](C)Oc2cccc(F)c2)c([O-])c1 ZINC000045298194 369278826 /nfs/dbraw/zinc/27/88/26/369278826.db2.gz FHUOIHMNSIUFNC-LLVKDONJSA-N -1 3 289.306 3.246 20 0 CGADHM CCc1ccc([O-])c(C(=O)N[C@H](C2CC2)C(F)(F)F)c1 ZINC000494801638 244317935 /nfs/dbraw/zinc/31/79/35/244317935.db2.gz VCRARNVLHICZKD-GFCCVEGCSA-N -1 3 287.281 3.025 20 0 CGADHM CC(C)[C@@H]1C[C@H](CC(=O)Nc2ccc([O-])cc2F)CCO1 ZINC000330816001 203272442 /nfs/dbraw/zinc/27/24/42/203272442.db2.gz QTOCZCYYUALKPO-ABAIWWIYSA-N -1 3 295.354 3.311 20 0 CGADHM Cc1ccc(NC(=O)c2cccc(F)c2F)c([O-])c1 ZINC000054209412 369498336 /nfs/dbraw/zinc/49/83/36/369498336.db2.gz TUBHZOBARONXTG-UHFFFAOYSA-N -1 3 263.243 3.231 20 0 CGADHM COc1cc(C)sc1C(=O)[N-]c1nnc(C(C)C)s1 ZINC000072647966 369833371 /nfs/dbraw/zinc/83/33/71/369833371.db2.gz DQLJYWDEMQOHSE-UHFFFAOYSA-N -1 3 297.405 3.292 20 0 CGADHM [O-]c1ccc(Sc2nc(C3CC3)ns2)cc1 ZINC000083671331 370008174 /nfs/dbraw/zinc/00/81/74/370008174.db2.gz YKQMRRUJENULME-UHFFFAOYSA-N -1 3 250.348 3.272 20 0 CGADHM C[C@H](CN(C)Cc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000086807044 370022476 /nfs/dbraw/zinc/02/24/76/370022476.db2.gz DSDQPIPSYWLMEZ-MRVPVSSYSA-N -1 3 276.163 3.146 20 0 CGADHM Cc1sc2[n-]c(-c3ccc(Cl)cn3)nc(=O)c2c1C ZINC000086963624 370023155 /nfs/dbraw/zinc/02/31/55/370023155.db2.gz WOAPPWWPNYHKJZ-UHFFFAOYSA-N -1 3 291.763 3.317 20 0 CGADHM O=C(c1cccc([O-])c1)N1CCc2[nH]c3ccccc3c2C1 ZINC000096790735 370214693 /nfs/dbraw/zinc/21/46/93/370214693.db2.gz KBPLRELZNSCMMC-UHFFFAOYSA-N -1 3 292.338 3.072 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2cc3c(cc2C)OCO3)c1 ZINC000511750098 245004296 /nfs/dbraw/zinc/00/42/96/245004296.db2.gz GDGBGTAHMYNFEX-UHFFFAOYSA-N -1 3 299.326 3.244 20 0 CGADHM CCc1cccc(C(=O)N(C)C2CCCCC2)c1[O-] ZINC000538747180 288587414 /nfs/dbraw/zinc/58/74/14/288587414.db2.gz IOYDDQOQXXFSHU-UHFFFAOYSA-N -1 3 261.365 3.359 20 0 CGADHM CC(C)([N-]C(=O)C(F)(F)c1ccccc1)c1nccs1 ZINC000116141038 370548831 /nfs/dbraw/zinc/54/88/31/370548831.db2.gz TVJPXNUJBMXCLL-UHFFFAOYSA-N -1 3 296.342 3.286 20 0 CGADHM O=C(Nc1ccccc1[O-])[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000116441309 370560674 /nfs/dbraw/zinc/56/06/74/370560674.db2.gz SUUOLVWXDYXOQF-NXEZZACHSA-N -1 3 289.281 3.413 20 0 CGADHM Cc1ccccc1[C@@H]1C[C@H]1C(=O)NCc1ccc([O-])c(F)c1 ZINC000129712937 370997767 /nfs/dbraw/zinc/99/77/67/370997767.db2.gz VVQMWAZJVQUMEP-LSDHHAIUSA-N -1 3 299.345 3.260 20 0 CGADHM Cc1cc2c([n-]c(COc3ccccc3C)nc2=O)s1 ZINC000130617301 371046780 /nfs/dbraw/zinc/04/67/80/371046780.db2.gz LLONVILAUKEFIQ-UHFFFAOYSA-N -1 3 286.356 3.180 20 0 CGADHM O=C(CCCc1cccs1)NCc1ccc([O-])c(F)c1 ZINC000133020138 371220615 /nfs/dbraw/zinc/22/06/15/371220615.db2.gz MGBOZBHBXKAAAV-UHFFFAOYSA-N -1 3 293.363 3.232 20 0 CGADHM CC(C)(C)CCCC(=O)NCc1ccc([O-])c(F)c1 ZINC000133101399 371226180 /nfs/dbraw/zinc/22/61/80/371226180.db2.gz CSFNRKKDJCUGDF-UHFFFAOYSA-N -1 3 267.344 3.364 20 0 CGADHM CCOCCC1(CNC(=O)c2cccc(C)c2[O-])CCC1 ZINC000150986326 371555048 /nfs/dbraw/zinc/55/50/48/371555048.db2.gz QRTGWHHHDLHACQ-UHFFFAOYSA-N -1 3 291.391 3.027 20 0 CGADHM CCCc1[nH]ccc1C(=O)Nc1c(C)cccc1[O-] ZINC000421798078 371635644 /nfs/dbraw/zinc/63/56/44/371635644.db2.gz XLCZFMGCOAHYCE-UHFFFAOYSA-N -1 3 258.321 3.234 20 0 CGADHM COCCCO[N-]C(=O)[C@@H]1C[C@@H]1c1cccc2ccccc21 ZINC000287902845 371717271 /nfs/dbraw/zinc/71/72/71/371717271.db2.gz SIAGBEXCCVFWQZ-IAGOWNOFSA-N -1 3 299.370 3.028 20 0 CGADHM Cc1c2cc(C)ccc2[nH]c1C(=O)Nc1ncccc1[O-] ZINC000153663661 371779167 /nfs/dbraw/zinc/77/91/67/371779167.db2.gz GSSZDMNBONRITM-UHFFFAOYSA-N -1 3 281.315 3.138 20 0 CGADHM CCN(Cc1ccccc1C)Cc1nc(C)ccc1[O-] ZINC000153734110 371784695 /nfs/dbraw/zinc/78/46/95/371784695.db2.gz VTYKIYVZEMBFPP-UHFFFAOYSA-N -1 3 270.376 3.426 20 0 CGADHM CC(C)CN(CC(=O)[O-])Cc1c(F)cccc1Cl ZINC000032120767 541858129 /nfs/dbraw/zinc/85/81/29/541858129.db2.gz NRELSMZTLAWCDJ-UHFFFAOYSA-N -1 3 273.735 3.022 20 0 CGADHM C[C@@H]1C[C@@H]1CC(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000353344995 220037500 /nfs/dbraw/zinc/03/75/00/220037500.db2.gz JEXSCWQIBQTTPE-HTQZYQBOSA-N -1 3 273.254 3.396 20 0 CGADHM CSc1ccsc1C(=O)[N-]c1nocc1C ZINC000154692267 371869782 /nfs/dbraw/zinc/86/97/82/371869782.db2.gz QNPYRDYUTXRMAE-UHFFFAOYSA-N -1 3 254.336 3.019 20 0 CGADHM COCc1nc(C)c(C(=O)[N-]c2c(F)cccc2F)s1 ZINC000157359225 372017953 /nfs/dbraw/zinc/01/79/53/372017953.db2.gz JXXUQFATHXKIDS-UHFFFAOYSA-N -1 3 298.314 3.128 20 0 CGADHM COc1cc(/C=C/C(=O)Nc2ccccc2[O-])ccc1F ZINC000157785524 372036744 /nfs/dbraw/zinc/03/67/44/372036744.db2.gz FBDDNTJZTMJQCN-VQHVLOKHSA-N -1 3 287.290 3.192 20 0 CGADHM CC(C)CO[N-]C(=O)Nc1ccc(Cl)c(F)c1 ZINC000159042273 372102771 /nfs/dbraw/zinc/10/27/71/372102771.db2.gz GRRUFWFXSZOXHX-UHFFFAOYSA-N -1 3 260.696 3.188 20 0 CGADHM O=C([N-]OCC1CC1)Nc1ccccc1N1CCCCC1 ZINC000292728579 372200568 /nfs/dbraw/zinc/20/05/68/372200568.db2.gz IGORCVNPRFAHRB-UHFFFAOYSA-N -1 3 289.379 3.140 20 0 CGADHM C[C@H](c1nc(-c2ccc([O-])cc2)no1)C(C)(F)F ZINC000293139547 372310324 /nfs/dbraw/zinc/31/03/24/372310324.db2.gz JSYBWNMQKPBESC-SSDOTTSWSA-N -1 3 254.236 3.201 20 0 CGADHM CCc1cc(=O)[n-]c(CN(CC)CC(CC)CC)n1 ZINC000344357065 217167103 /nfs/dbraw/zinc/16/71/03/217167103.db2.gz SZEBEDXKHSSJEK-UHFFFAOYSA-N -1 3 265.401 3.003 20 0 CGADHM COCC(C)(C)N(C)C(=O)c1ccc(C(C)C)cc1[O-] ZINC000293573382 372414476 /nfs/dbraw/zinc/41/44/76/372414476.db2.gz AEIAPSZDNVYRSX-UHFFFAOYSA-N -1 3 279.380 3.013 20 0 CGADHM CCc1cc(C(=O)N2CC[C@]3(C)[C@H](C2)C3(F)F)ccc1[O-] ZINC000293628820 372428748 /nfs/dbraw/zinc/42/87/48/372428748.db2.gz JSPPIBWSTQOHMT-DZGCQCFKSA-N -1 3 295.329 3.072 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)c1cc(Cl)ncc1Cl ZINC000293648424 372436707 /nfs/dbraw/zinc/43/67/07/372436707.db2.gz GSSWRUQWQIHZJE-SSDOTTSWSA-N -1 3 277.151 3.096 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)c1cc(Cl)ncc1Cl ZINC000293648428 372436992 /nfs/dbraw/zinc/43/69/92/372436992.db2.gz GSSWRUQWQIHZJE-ZETCQYMHSA-N -1 3 277.151 3.096 20 0 CGADHM C[C@H](CNCc1c(F)ccc([O-])c1F)c1nccs1 ZINC000293667465 372442391 /nfs/dbraw/zinc/44/23/91/372442391.db2.gz QEMVXBXDRYNHPY-MRVPVSSYSA-N -1 3 284.331 3.020 20 0 CGADHM c1sc([N-]c2ncnc3ncccc23)nc1C1CC1 ZINC000163083845 372446372 /nfs/dbraw/zinc/44/63/72/372446372.db2.gz RJXFNOXWYZVWNP-UHFFFAOYSA-N -1 3 269.333 3.102 20 0 CGADHM COC(=O)c1ccc(C(=O)Nc2cccc(Cl)c2C)[n-]1 ZINC000431261857 372449519 /nfs/dbraw/zinc/44/95/19/372449519.db2.gz FAGWSDDORZNOSC-UHFFFAOYSA-N -1 3 292.722 3.015 20 0 CGADHM CC(F)(F)C(=O)[N-]Cc1ccc(C(C)(F)F)cc1 ZINC000293686224 372451439 /nfs/dbraw/zinc/45/14/39/372451439.db2.gz BPMNWEIGYRLEML-UHFFFAOYSA-N -1 3 263.234 3.070 20 0 CGADHM CCOc1nc2cc(C(=O)N[C@H](C)CC(C)C)ccc2[n-]1 ZINC000431811573 372504509 /nfs/dbraw/zinc/50/45/09/372504509.db2.gz LFONYZZIPZZLHJ-LLVKDONJSA-N -1 3 289.379 3.126 20 0 CGADHM CCOc1nc2ccc(C(=O)N[C@H](C)CC(C)C)cc2[n-]1 ZINC000431811573 372504512 /nfs/dbraw/zinc/50/45/12/372504512.db2.gz LFONYZZIPZZLHJ-LLVKDONJSA-N -1 3 289.379 3.126 20 0 CGADHM Cc1cccc2c(=O)c(C(=O)N3[C@H](C)CC[C@H]3C)c[n-]c12 ZINC000164812197 372533840 /nfs/dbraw/zinc/53/38/40/372533840.db2.gz FCQRRWUWYKNUBO-VXGBXAGGSA-N -1 3 284.359 3.262 20 0 CGADHM CCOc1nccc(C)c1C(=O)Nc1ccc(C)cc1[O-] ZINC000434033314 372651504 /nfs/dbraw/zinc/65/15/04/372651504.db2.gz WQBQHHOLWDTJAW-UHFFFAOYSA-N -1 3 286.331 3.055 20 0 CGADHM CN(Cc1cccc([O-])c1Cl)C[C@H]1CCCCO1 ZINC000295243759 372716185 /nfs/dbraw/zinc/71/61/85/372716185.db2.gz FGHGKORNWPCEQN-GFCCVEGCSA-N -1 3 269.772 3.047 20 0 CGADHM C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)Nc1ccccc1[O-] ZINC000435580650 372778450 /nfs/dbraw/zinc/77/84/50/372778450.db2.gz UWIAQUFQYIDSPO-UVBJJODRSA-N -1 3 267.328 3.380 20 0 CGADHM CCc1cc(=O)[n-]c(CN[C@@H](C)c2cccc(C3CC3)c2)n1 ZINC000295449144 372786421 /nfs/dbraw/zinc/78/64/21/372786421.db2.gz PHDKFIOXXDUSEH-LBPRGKRZSA-N -1 3 297.402 3.473 20 0 CGADHM CCO[N-]C(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000171742634 372821263 /nfs/dbraw/zinc/82/12/63/372821263.db2.gz GBAOCXZYCNRPES-ZJUUUORDSA-N -1 3 274.147 3.165 20 0 CGADHM Cc1cscc1NC(=O)c1n[n-]nc1-c1ccccc1 ZINC000435759765 372803095 /nfs/dbraw/zinc/80/30/95/372803095.db2.gz LSWQINWAILHAPN-UHFFFAOYSA-N -1 3 284.344 3.094 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)N(C)CCc2ccccc2C)n1 ZINC000295613896 372848643 /nfs/dbraw/zinc/84/86/43/372848643.db2.gz DJPDKXBCEWEFGR-CQSZACIVSA-N -1 3 285.391 3.035 20 0 CGADHM COc1ccc([O-])c(C(=O)N2[C@@H](C)C[C@@H]3CCCC[C@@H]32)c1 ZINC000173051117 373084266 /nfs/dbraw/zinc/08/42/66/373084266.db2.gz PBPXLCXSNKNMQV-HUBLWGQQSA-N -1 3 289.375 3.194 20 0 CGADHM CCC[C@@H](OC)c1noc(-c2ccc(CC)cc2[O-])n1 ZINC000296545401 373172146 /nfs/dbraw/zinc/17/21/46/373172146.db2.gz SNYHQKPVWZXMFW-CYBMUJFWSA-N -1 3 276.336 3.492 20 0 CGADHM CC(C)[C@@H]1CCCN(C(=O)Cc2ccc([O-])cc2Cl)C1 ZINC000444519771 373196156 /nfs/dbraw/zinc/19/61/56/373196156.db2.gz HWWSQICTGODIRR-CYBMUJFWSA-N -1 3 295.810 3.483 20 0 CGADHM CCOc1ccc(NC([O-])=NOC(C)C)cc1Cl ZINC000296757717 373237607 /nfs/dbraw/zinc/23/76/07/373237607.db2.gz WFNCNUPBUCZZGK-UHFFFAOYSA-N -1 3 272.732 3.200 20 0 CGADHM CCOc1ccc(NC(=O)[N-]OC(C)C)cc1Cl ZINC000296757717 373237610 /nfs/dbraw/zinc/23/76/10/373237610.db2.gz WFNCNUPBUCZZGK-UHFFFAOYSA-N -1 3 272.732 3.200 20 0 CGADHM CSCCCCC(=O)Nc1cc(F)ccc1[O-] ZINC000174872395 373374702 /nfs/dbraw/zinc/37/47/02/373374702.db2.gz YBEDQLIECVWRFI-UHFFFAOYSA-N -1 3 257.330 3.003 20 0 CGADHM O=C(c1ccc(O)cc1[O-])N1CCC[C@H]1c1ccsc1 ZINC000298762610 373402046 /nfs/dbraw/zinc/40/20/46/373402046.db2.gz RPKQNGOFHKMVHR-ZDUSSCGKSA-N -1 3 289.356 3.137 20 0 CGADHM COc1cccc(C(=O)N2C[C@@H](C)[C@@H]2c2ccccc2)c1[O-] ZINC000175164652 373423207 /nfs/dbraw/zinc/42/32/07/373423207.db2.gz JSJJJYNAVVESJQ-MLGOLLRUSA-N -1 3 297.354 3.234 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N(C)Cc2cccc3[nH]ccc32)n1 ZINC000447883206 373514041 /nfs/dbraw/zinc/51/40/41/373514041.db2.gz RUTAOEKQVOYUEP-LBPRGKRZSA-N -1 3 296.374 3.165 20 0 CGADHM Cc1cc(C(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2)ccc1[O-] ZINC000447780556 373486772 /nfs/dbraw/zinc/48/67/72/373486772.db2.gz WPWQFQWEWZOTSB-LSDHHAIUSA-N -1 3 285.318 3.126 20 0 CGADHM Cc1ccoc1C(=O)N=c1cc(-c2ccccc2F)o[n-]1 ZINC000448489771 373579490 /nfs/dbraw/zinc/57/94/90/373579490.db2.gz IWWPHVCSJXGZCO-UHFFFAOYSA-N -1 3 286.262 3.056 20 0 CGADHM Cc1cc(C)c(C(=O)N=c2cc(-c3ccccc3F)o[n-]2)[nH]1 ZINC000448492496 373579009 /nfs/dbraw/zinc/57/90/09/373579009.db2.gz NKLRBIXWRFKFQL-UHFFFAOYSA-N -1 3 299.305 3.100 20 0 CGADHM C[C@@H]1CCN(Cc2cccc(Cl)c2F)[C@H](C(=O)[O-])C1 ZINC000299932240 373615490 /nfs/dbraw/zinc/61/54/90/373615490.db2.gz QLIMHXCNDPPOLQ-SKDRFNHKSA-N -1 3 285.746 3.164 20 0 CGADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC[C@@H](C)C3)nc2)n1 ZINC000301162482 373678839 /nfs/dbraw/zinc/67/88/39/373678839.db2.gz GOJBVAJRKUXFBX-GFCCVEGCSA-N -1 3 298.390 3.043 20 0 CGADHM Cc1cccc([O-])c1NC(=O)CCc1ccsc1 ZINC000179551911 373886236 /nfs/dbraw/zinc/88/62/36/373886236.db2.gz LIIHBCUUTJVLLF-UHFFFAOYSA-N -1 3 261.346 3.333 20 0 CGADHM C[C@H]1CCC[C@@H](CCNC(=O)Cc2ccc([O-])c(F)c2)C1 ZINC000449869047 373951441 /nfs/dbraw/zinc/95/14/41/373951441.db2.gz GCLFCFQLKFJPLO-STQMWFEESA-N -1 3 293.382 3.406 20 0 CGADHM C[C@H](CCC(C)(C)C)NC(=O)Cc1ccc([O-])c(F)c1 ZINC000449894582 373960491 /nfs/dbraw/zinc/96/04/91/373960491.db2.gz BJYJQKCXKMPPDU-LLVKDONJSA-N -1 3 281.371 3.405 20 0 CGADHM CC(C)(CNC(=O)Cc1ccc([O-])c(F)c1)C1CCCC1 ZINC000450208647 373998174 /nfs/dbraw/zinc/99/81/74/373998174.db2.gz OPPGBZQYCLEAEI-UHFFFAOYSA-N -1 3 293.382 3.406 20 0 CGADHM CC(=O)c1[n-]c(=N[C@@H]2CCO[C@@H](CC(C)C)C2)sc1C ZINC000450426607 374120041 /nfs/dbraw/zinc/12/00/41/374120041.db2.gz QOABXSVSKPJKEV-OLZOCXBDSA-N -1 3 296.436 3.082 20 0 CGADHM Cc1cc(C(=O)N2CC[C@@H](CC(C)C)C2)ccc1[O-] ZINC000307782535 374151902 /nfs/dbraw/zinc/15/19/02/374151902.db2.gz VXVWYAQJAUIUET-ZDUSSCGKSA-N -1 3 261.365 3.209 20 0 CGADHM O=C(c1cccc([O-])c1)N(Cc1ccco1)Cc1ccco1 ZINC000181860176 374183564 /nfs/dbraw/zinc/18/35/64/374183564.db2.gz ZRDYRYQWVLEDMU-UHFFFAOYSA-N -1 3 297.310 3.421 20 0 CGADHM O=C(Nc1cnc(-c2ccccc2)nc1)c1cccc([O-])c1 ZINC000181951677 374196233 /nfs/dbraw/zinc/19/62/33/374196233.db2.gz XRINMALQQYZAOH-UHFFFAOYSA-N -1 3 291.310 3.102 20 0 CGADHM COc1ccc(F)cc1[C@H](C)NC(=O)c1cccc([O-])c1 ZINC000182118690 374221170 /nfs/dbraw/zinc/22/11/70/374221170.db2.gz GDSIUOMUNJDOAK-JTQLQIEISA-N -1 3 289.306 3.031 20 0 CGADHM Cc1nscc1C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000182312023 374256632 /nfs/dbraw/zinc/25/66/32/374256632.db2.gz XDBMSKUDEGAHSY-UHFFFAOYSA-N -1 3 282.752 3.371 20 0 CGADHM C[C@H]1c2ccccc2CCN1C(=O)c1cccc([O-])c1 ZINC000182394680 374267616 /nfs/dbraw/zinc/26/76/16/374267616.db2.gz JYYXGAVNPCPAQS-LBPRGKRZSA-N -1 3 267.328 3.152 20 0 CGADHM O=C(N[C@@H]1CCc2cc(Cl)ccc21)c1cccc([O-])c1 ZINC000182218317 374239191 /nfs/dbraw/zinc/23/91/91/374239191.db2.gz RYWXYZHHNJEFFF-OAHLLOKOSA-N -1 3 287.746 3.463 20 0 CGADHM CCOc1cccc([C@@H](C)NC(=O)c2cccc([O-])c2)c1 ZINC000182250574 374246299 /nfs/dbraw/zinc/24/62/99/374246299.db2.gz TVRCSZYRONPYKK-GFCCVEGCSA-N -1 3 285.343 3.282 20 0 CGADHM C[C@H]1CN(C(=O)c2cccc([O-])c2)[C@@H]1c1ccccc1 ZINC000182527058 374285766 /nfs/dbraw/zinc/28/57/66/374285766.db2.gz LJNCSPMNHBOWQQ-LRDDRELGSA-N -1 3 267.328 3.225 20 0 CGADHM Cc1cccc([O-])c1NC(=O)CSCc1cscn1 ZINC000183017801 374355429 /nfs/dbraw/zinc/35/54/29/374355429.db2.gz OQLTZJNJHNNEOL-UHFFFAOYSA-N -1 3 294.401 3.029 20 0 CGADHM Cc1cccc([O-])c1NC(=O)[C@H](C)n1cnc2ccccc21 ZINC000183036409 374360085 /nfs/dbraw/zinc/36/00/85/374360085.db2.gz WBXDPNBWXYSHEG-LBPRGKRZSA-N -1 3 295.342 3.250 20 0 CGADHM O=C(Nc1ncc(Cl)s1)c1cc(-c2ccco2)[n-]n1 ZINC000081738750 541926957 /nfs/dbraw/zinc/92/69/57/541926957.db2.gz BHNKAKWEJNXSJG-UHFFFAOYSA-N -1 3 294.723 3.032 20 0 CGADHM O=C(Nc1ncc(Cl)s1)c1cc(-c2ccco2)n[n-]1 ZINC000081738750 541926961 /nfs/dbraw/zinc/92/69/61/541926961.db2.gz BHNKAKWEJNXSJG-UHFFFAOYSA-N -1 3 294.723 3.032 20 0 CGADHM COC(C)(C)C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000330389461 374457186 /nfs/dbraw/zinc/45/71/86/374457186.db2.gz DMBXLKFEHRAYOR-UHFFFAOYSA-N -1 3 265.353 3.053 20 0 CGADHM C[C@@H]1CC[C@@H](C(=O)Nc2ccc(C(C)(C)C)cc2[O-])O1 ZINC000330404387 374459597 /nfs/dbraw/zinc/45/95/97/374459597.db2.gz MNYGZRJCDQHXBH-YGRLFVJLSA-N -1 3 277.364 3.196 20 0 CGADHM CC[C@@H](CC1CCCC1)C(=O)NCc1ncccc1[O-] ZINC000330989867 374494416 /nfs/dbraw/zinc/49/44/16/374494416.db2.gz AKEGOPPCZAFZIE-ZDUSSCGKSA-N -1 3 276.380 3.010 20 0 CGADHM CC[C@@H]1CCCC[C@@H]1OCC(=O)Nc1cccc([O-])c1F ZINC000184891013 374568272 /nfs/dbraw/zinc/56/82/72/374568272.db2.gz WYWUBOLBYCZGHJ-RISCZKNCSA-N -1 3 295.354 3.455 20 0 CGADHM CC1(C2(NC(=O)CCCc3ccc([O-])c(F)c3)CC2)CC1 ZINC000456655176 374592012 /nfs/dbraw/zinc/59/20/12/374592012.db2.gz YRWARIBSMSYHSK-UHFFFAOYSA-N -1 3 291.366 3.303 20 0 CGADHM Cc1ccc(C(=O)CCCC(=O)Nc2ncccc2[O-])cc1 ZINC000185135316 374594020 /nfs/dbraw/zinc/59/40/20/374594020.db2.gz GAJMFZFLOAGEEJ-UHFFFAOYSA-N -1 3 298.342 3.087 20 0 CGADHM Cc1cccc([O-])c1NC(=O)c1noc2c1C[C@@H](C)CC2 ZINC000334229720 206223504 /nfs/dbraw/zinc/22/35/04/206223504.db2.gz IRIDFBRNRLLYJZ-VIFPVBQESA-N -1 3 286.331 3.066 20 0 CGADHM COCCC1(CNC(=O)c2ccccc2[O-])CCCCC1 ZINC000185366462 374648878 /nfs/dbraw/zinc/64/88/78/374648878.db2.gz MIXDNTKLBROMSQ-UHFFFAOYSA-N -1 3 291.391 3.109 20 0 CGADHM CCCOc1ccc(CNCc2cc([O-])cc(F)c2)cn1 ZINC000185525700 374681294 /nfs/dbraw/zinc/68/12/94/374681294.db2.gz FNYUKCQQYNZBSY-UHFFFAOYSA-N -1 3 290.338 3.005 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-]c2c(F)cccc2Cl)o1 ZINC000334520742 374817294 /nfs/dbraw/zinc/81/72/94/374817294.db2.gz LJOLPZXALCOGHL-UHFFFAOYSA-N -1 3 289.715 3.181 20 0 CGADHM CC[C@H]1CC[C@H](NC(=O)c2c[n-]c3ccccc3c2=O)CC1 ZINC000334452723 374764448 /nfs/dbraw/zinc/76/44/48/374764448.db2.gz ZFBFMNZWLWLXAW-JOCQHMNTSA-N -1 3 298.386 3.227 20 0 CGADHM CCC[C@@H](NC(=O)Cc1ccc([O-])c(F)c1)C1CCC1 ZINC000458323415 374765197 /nfs/dbraw/zinc/76/51/97/374765197.db2.gz XBVSUZDPEIPVBQ-CQSZACIVSA-N -1 3 279.355 3.159 20 0 CGADHM [O-]c1cccc(CNC2CC(F)(F)C2)c1Br ZINC000334566063 374866627 /nfs/dbraw/zinc/86/66/27/374866627.db2.gz XVHNAHCRMSQJQU-UHFFFAOYSA-N -1 3 292.123 3.042 20 0 CGADHM C[C@H]1CCN(C(=O)Cc2cccc(O)c2)c2c([O-])cccc21 ZINC000186343466 374835458 /nfs/dbraw/zinc/83/54/58/374835458.db2.gz FKTZQNVPMPYGFK-LBPRGKRZSA-N -1 3 297.354 3.181 20 0 CGADHM O=C(c1csc(=O)[n-]1)N1CCCCC[C@H]1c1ccco1 ZINC000334710195 374993895 /nfs/dbraw/zinc/99/38/95/374993895.db2.gz QJRHEXZLROZTTP-NSHDSACASA-N -1 3 292.360 3.199 20 0 CGADHM CCc1ccc(C(=O)N2CCC[C@@H]3CCC[C@@H]32)c([O-])c1 ZINC000187846716 375106249 /nfs/dbraw/zinc/10/62/49/375106249.db2.gz UWCRBSQDIFXFHD-ZFWWWQNUSA-N -1 3 273.376 3.359 20 0 CGADHM Cc1oc(C(C)C)nc1C(=O)Nc1ccc([O-])cc1F ZINC000335084943 375117649 /nfs/dbraw/zinc/11/76/49/375117649.db2.gz OWAITUUINFPHGL-UHFFFAOYSA-N -1 3 278.283 3.203 20 0 CGADHM CC(C)(C)[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccco1 ZINC000188592525 375238546 /nfs/dbraw/zinc/23/85/46/375238546.db2.gz FZXLOBKHOGBARC-NEPJUHHUSA-N -1 3 285.409 3.163 20 0 CGADHM Cc1cccc(C(C)C)c1NC(=O)[N-]OC[C@@H]1CCOC1 ZINC000189443476 375389947 /nfs/dbraw/zinc/38/99/47/375389947.db2.gz UDJSUZNZOIYILG-CYBMUJFWSA-N -1 3 292.379 3.208 20 0 CGADHM C[C@@H](c1ccc(F)cc1)[S@@](=O)c1cccc([O-])c1 ZINC000335831287 375466177 /nfs/dbraw/zinc/46/61/77/375466177.db2.gz NFFLLTBJGSUORL-XTZNXHDOSA-N -1 3 264.321 3.400 20 0 CGADHM Cc1csc(C(=O)Nc2ncccc2[O-])c1Cl ZINC000335832682 375467453 /nfs/dbraw/zinc/46/74/53/375467453.db2.gz FYBJRWSEWXLEEA-UHFFFAOYSA-N -1 3 268.725 3.063 20 0 CGADHM O=S(=O)([N-]c1ccsc1Cl)c1ccccc1F ZINC000189738313 375442163 /nfs/dbraw/zinc/44/21/63/375442163.db2.gz KHQZQTANVVVMEQ-UHFFFAOYSA-N -1 3 291.756 3.341 20 0 CGADHM O=C(CC1CCCCC1)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000497872354 375614492 /nfs/dbraw/zinc/61/44/92/375614492.db2.gz VQEFAMYJOUQJMZ-UHFFFAOYSA-N -1 3 283.375 3.408 20 0 CGADHM CCc1noc(C)c1[N-]C(=O)c1csc(C2CC2)n1 ZINC000121028238 542015063 /nfs/dbraw/zinc/01/50/63/542015063.db2.gz YUTQGXXOEQBOPP-UHFFFAOYSA-N -1 3 277.349 3.132 20 0 CGADHM Cc1ccc(-n2cccn2)cc1NC(=O)c1cccc([O-])c1 ZINC000191841127 375668249 /nfs/dbraw/zinc/66/82/49/375668249.db2.gz OJIKPKARGYPMFV-UHFFFAOYSA-N -1 3 293.326 3.139 20 0 CGADHM CCN(Cc1c(F)ccc([O-])c1F)C1CCCC1 ZINC000507232154 375690635 /nfs/dbraw/zinc/69/06/35/375690635.db2.gz RQEORZIOEAWYDM-UHFFFAOYSA-N -1 3 255.308 3.435 20 0 CGADHM O=C(c1ccccc1[O-])N1CC=C(c2ccccc2F)C1 ZINC000336157528 375734390 /nfs/dbraw/zinc/73/43/90/375734390.db2.gz FZYKPABBCDGDSA-UHFFFAOYSA-N -1 3 283.302 3.071 20 0 CGADHM Cc1ccc(C(C)(C)NC(=O)c2ccc([O-])c(C)c2)cn1 ZINC000336157834 375735751 /nfs/dbraw/zinc/73/57/51/375735751.db2.gz UAMDGFBPBOSRMQ-UHFFFAOYSA-N -1 3 284.359 3.069 20 0 CGADHM Cc1ccc(CN(C)[C@H](C)c2nc(C)cc(=O)[n-]2)s1 ZINC000192569450 375766626 /nfs/dbraw/zinc/76/66/26/375766626.db2.gz ZZOAKIOSCSZDIU-LLVKDONJSA-N -1 3 277.393 3.054 20 0 CGADHM O=C(N[C@H]1CC12CCCC2)c1cc([O-])ccc1C(F)(F)F ZINC000336632031 375892110 /nfs/dbraw/zinc/89/21/10/375892110.db2.gz ANYLJCBAEGUZIL-LBPRGKRZSA-N -1 3 299.292 3.474 20 0 CGADHM CO[C@H](CC(C)C)C(=O)Nc1c([O-])cccc1Cl ZINC000520608080 375867945 /nfs/dbraw/zinc/86/79/45/375867945.db2.gz QEWNESFFMHFHIL-LLVKDONJSA-N -1 3 271.744 3.045 20 0 CGADHM C[C@@H]1CCC[C@H]1CNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000534450667 375987438 /nfs/dbraw/zinc/98/74/38/375987438.db2.gz DWLGNCLUYHZDSN-OCCSQVGLSA-N -1 3 293.382 3.406 20 0 CGADHM Cc1cccc([O-])c1NC(=O)c1cc(Br)c[nH]1 ZINC000537613237 376181617 /nfs/dbraw/zinc/18/16/17/376181617.db2.gz GESSVORALBUSTB-UHFFFAOYSA-N -1 3 295.136 3.044 20 0 CGADHM [O-]c1cc(F)cc(CN[C@H]2CCc3ccccc32)c1 ZINC000223083036 376245703 /nfs/dbraw/zinc/24/57/03/376245703.db2.gz ATLRMRYVXMBWRK-INIZCTEOSA-N -1 3 257.308 3.308 20 0 CGADHM CSc1ccc(NC(=O)c2cc(C)ccc2[O-])cn1 ZINC000538789401 376271348 /nfs/dbraw/zinc/27/13/48/376271348.db2.gz HZGOVVYKKBXELY-UHFFFAOYSA-N -1 3 274.345 3.070 20 0 CGADHM O=C(Nc1ncccc1[O-])c1nc(-c2ccccc2)cs1 ZINC000338186533 376277260 /nfs/dbraw/zinc/27/72/60/376277260.db2.gz SKPMOZYVVSMJHW-UHFFFAOYSA-N -1 3 297.339 3.163 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CC[C@H](CC(C)C)C2)c1 ZINC000539872618 376343549 /nfs/dbraw/zinc/34/35/49/376343549.db2.gz OTXOPFAKJIZVBQ-CQSZACIVSA-N -1 3 275.392 3.463 20 0 CGADHM C[C@H]1C[C@@H]1c1ccc(CNC(=O)c2cccc([O-])c2)o1 ZINC000540962322 376409915 /nfs/dbraw/zinc/40/99/15/376409915.db2.gz FCRNBVUUEQRZHQ-HZMBPMFUSA-N -1 3 271.316 3.039 20 0 CGADHM CCn1c(=O)[n-]nc1SCc1cccc(F)c1Cl ZINC000338527039 376411045 /nfs/dbraw/zinc/41/10/45/376411045.db2.gz WXBBOCSIDJMUPT-UHFFFAOYSA-N -1 3 287.747 3.088 20 0 CGADHM CCC1(CC)CCN(C(=O)c2ccc([O-])c(C)c2)C1 ZINC000227039094 376378777 /nfs/dbraw/zinc/37/87/77/376378777.db2.gz PVGHROURHGKPSF-UHFFFAOYSA-N -1 3 261.365 3.353 20 0 CGADHM Cc1cc(C(=O)N2CCc3ccc(F)cc32)ccc1[O-] ZINC000227023653 376379318 /nfs/dbraw/zinc/37/93/18/376379318.db2.gz AFBIIDUKHFOHCD-UHFFFAOYSA-N -1 3 271.291 3.043 20 0 CGADHM CCN(CC(C)C)C(=O)c1cc([O-])ccc1Cl ZINC000233456059 376596904 /nfs/dbraw/zinc/59/69/04/376596904.db2.gz TYOSRUXAFDGHQM-UHFFFAOYSA-N -1 3 255.745 3.164 20 0 CGADHM CC[C@H](C)CN(C)C(=O)c1cc([O-])ccc1Cl ZINC000233990452 376607081 /nfs/dbraw/zinc/60/70/81/376607081.db2.gz JZWWBHSGTDJGKT-VIFPVBQESA-N -1 3 255.745 3.164 20 0 CGADHM CC(C)[C@H](C)CNC(=O)c1cc([O-])ccc1Cl ZINC000232709377 376586959 /nfs/dbraw/zinc/58/69/59/376586959.db2.gz CINCBAMFKYCWQO-SECBINFHSA-N -1 3 255.745 3.068 20 0 CGADHM CN(Cc1cccs1)C(=O)c1cc([O-])ccc1Cl ZINC000234301548 376614787 /nfs/dbraw/zinc/61/47/87/376614787.db2.gz COVRVFFGVBMJDW-UHFFFAOYSA-N -1 3 281.764 3.379 20 0 CGADHM CCO[C@H](CC(=O)Nc1ccc(Cl)cc1[O-])C(C)C ZINC000339008265 376626275 /nfs/dbraw/zinc/62/62/75/376626275.db2.gz DOXANJBKPSHKDQ-CYBMUJFWSA-N -1 3 285.771 3.435 20 0 CGADHM O=C(Nc1ccc(Cl)cc1[O-])[C@H]1C[C@H]1C1CC1 ZINC000339007562 376626417 /nfs/dbraw/zinc/62/64/17/376626417.db2.gz VDHJAKDSUUKZNJ-UWVGGRQHSA-N -1 3 251.713 3.030 20 0 CGADHM O=C(Nc1ccc(Cl)cc1[O-])[C@H]1C[C@@H]1C1CC1 ZINC000339007569 376626443 /nfs/dbraw/zinc/62/64/43/376626443.db2.gz VDHJAKDSUUKZNJ-ZJUUUORDSA-N -1 3 251.713 3.030 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-]C(C)(C)c2ccccc2C)o1 ZINC000339035212 376638661 /nfs/dbraw/zinc/63/86/61/376638661.db2.gz HYWGWCFBFLSLAW-UHFFFAOYSA-N -1 3 293.388 3.110 20 0 CGADHM C[C@H]1CCCN(Cc2ccc(F)cc2Cl)[C@@H]1C(=O)[O-] ZINC000235667682 376649623 /nfs/dbraw/zinc/64/96/23/376649623.db2.gz VYJNWLUERXCRHK-ZANVPECISA-N -1 3 285.746 3.164 20 0 CGADHM Cc1cccc(CCNC(=O)c2cc([O-])ccc2Cl)c1 ZINC000235897626 376652098 /nfs/dbraw/zinc/65/20/98/376652098.db2.gz ZISDAAPUPJALHH-UHFFFAOYSA-N -1 3 289.762 3.327 20 0 CGADHM O=C(NC[C@H]1CCCCS1)c1cc([O-])ccc1Cl ZINC000236615799 376673016 /nfs/dbraw/zinc/67/30/16/376673016.db2.gz XIJFKCVFRUGYCM-SNVBAGLBSA-N -1 3 285.796 3.061 20 0 CGADHM COc1ccc(NC(=O)c2cc3ccccc3o2)c([O-])c1 ZINC000135429590 542087179 /nfs/dbraw/zinc/08/71/79/542087179.db2.gz WIIXGXHYDGJNPK-UHFFFAOYSA-N -1 3 283.283 3.399 20 0 CGADHM C[C@H](C(=O)Nc1cc(Cl)ccc1[O-])N1[C@H](C)CC[C@@H]1C ZINC000245202815 376801056 /nfs/dbraw/zinc/80/10/56/376801056.db2.gz VZLUFHXZJXDXFF-OUAUKWLOSA-N -1 3 296.798 3.245 20 0 CGADHM Cc1cc([N-]C(=O)[C@H](C)N2C[C@H](C)[C@H]2c2ccccc2)on1 ZINC000245420714 376812554 /nfs/dbraw/zinc/81/25/54/376812554.db2.gz HRIMDPKBFLQXOA-RBOXIYTFSA-N -1 3 299.374 3.003 20 0 CGADHM CCc1cc(C(=O)NCC2(CC)CCC2)ccc1[O-] ZINC000557636811 376948486 /nfs/dbraw/zinc/94/84/86/376948486.db2.gz YRYTVHYNJBJRDI-UHFFFAOYSA-N -1 3 261.365 3.265 20 0 CGADHM CCN(Cc1ncccc1[O-])[C@H](C)c1cccc(OC)c1 ZINC000558396841 377001338 /nfs/dbraw/zinc/00/13/38/377001338.db2.gz CWGRMDMOEBZKON-CYBMUJFWSA-N -1 3 286.375 3.379 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2[C@H](C)C[C@@H]3CCCC[C@H]32)c1 ZINC000246735812 377078861 /nfs/dbraw/zinc/07/88/61/377078861.db2.gz IAZGTUYJVLNQNE-VNHYZAJKSA-N -1 3 273.376 3.494 20 0 CGADHM COc1ccc([O-])c(C(=O)NC2(C(F)F)CCCCC2)c1 ZINC000561086130 377206027 /nfs/dbraw/zinc/20/60/27/377206027.db2.gz GFLOWSYPXAMDHN-UHFFFAOYSA-N -1 3 299.317 3.099 20 0 CGADHM O=C([O-])C1(NCc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000340675191 377207070 /nfs/dbraw/zinc/20/70/70/377207070.db2.gz ZYDPDDJARHRLLU-UHFFFAOYSA-N -1 3 293.672 3.066 20 0 CGADHM C[C@@H](CSc1nc2nncc-2c(O)[n-]1)C1CCCCC1 ZINC000562819861 377363364 /nfs/dbraw/zinc/36/33/64/377363364.db2.gz XXDYDNRWGZLDIN-VIFPVBQESA-N -1 3 292.408 3.367 20 0 CGADHM CCc1oc(C(=O)[O-])cc1CN1C[C@H](C)C[C@@H](C)C1 ZINC000563277148 377429368 /nfs/dbraw/zinc/42/93/68/377429368.db2.gz IPCUACALTCSDFJ-GHMZBOCLSA-N -1 3 265.353 3.018 20 0 CGADHM CCCN(C)[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000563278778 377432229 /nfs/dbraw/zinc/43/22/29/377432229.db2.gz MQANCLHLTZECOE-NSHDSACASA-N -1 3 276.163 3.461 20 0 CGADHM CC1(C)CCCC[C@H]1[N-]S(=O)(=O)c1ccccc1F ZINC000094327186 249040728 /nfs/dbraw/zinc/04/07/28/249040728.db2.gz DEGFKVUQCZOSKV-CYBMUJFWSA-N -1 3 285.384 3.073 20 0 CGADHM O=C([N-]OCC1CC1)c1c(F)cc(C(F)(F)F)cc1F ZINC000293740828 249073643 /nfs/dbraw/zinc/07/36/43/249073643.db2.gz IWJIIWGYKWWJEQ-UHFFFAOYSA-N -1 3 295.207 3.055 20 0 CGADHM O=C([O-])c1occc1CN1CCC(c2ccsc2)CC1 ZINC000518201336 249276930 /nfs/dbraw/zinc/27/69/30/249276930.db2.gz WJZALXXCHHCNQC-UHFFFAOYSA-N -1 3 291.372 3.419 20 0 CGADHM CCC(C)(C)N(C)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000265606388 190193370 /nfs/dbraw/zinc/19/33/70/190193370.db2.gz NGKACJBDXJDZBS-UHFFFAOYSA-N -1 3 272.348 3.201 20 0 CGADHM CCCN(CC(C)C)C(=O)NCc1ccc([O-])c(F)c1 ZINC000265788051 190206884 /nfs/dbraw/zinc/20/68/84/190206884.db2.gz LOEWFQNEHUCTCG-UHFFFAOYSA-N -1 3 282.359 3.109 20 0 CGADHM Cc1ccc2nccc(N3CC[C@@H](C)[C@H](C(=O)[O-])C3)c2c1 ZINC000574205168 377635076 /nfs/dbraw/zinc/63/50/76/377635076.db2.gz VBQQQLCURCZQQZ-TZMCWYRMSA-N -1 3 284.359 3.090 20 0 CGADHM C[C@@H]1CCN(Cc2nc(=O)c3sccc3[n-]2)C[C@@H](C)C1 ZINC000253555041 377699182 /nfs/dbraw/zinc/69/91/82/377699182.db2.gz PFNPWRJDQPNNIJ-MNOVXSKESA-N -1 3 291.420 3.265 20 0 CGADHM O=C(/C=C\C1CCCCC1)NCc1ccc([O-])c(F)c1 ZINC000255050903 377726363 /nfs/dbraw/zinc/72/63/63/377726363.db2.gz SFOOZZFFGMRWPZ-CLFYSBASSA-N -1 3 277.339 3.284 20 0 CGADHM C[C@@H](C(=O)[O-])[C@H](C)N[C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000574996212 377736066 /nfs/dbraw/zinc/73/60/66/377736066.db2.gz ZOUCTJKKBGLKLG-WOPDTQHZSA-N -1 3 288.347 3.101 20 0 CGADHM CC(=O)c1cccc(NC(=O)[C@@H]2CCCC[C@H]2C)c1[O-] ZINC000575048538 377742948 /nfs/dbraw/zinc/74/29/48/377742948.db2.gz XPYPLIKXJQXOEL-ZYHUDNBSSA-N -1 3 275.348 3.360 20 0 CGADHM CCc1cc(C(=O)N2CCS[C@@H](C(C)C)C2)ccc1[O-] ZINC000342788564 377792842 /nfs/dbraw/zinc/79/28/42/377792842.db2.gz WYLJFJQQOZRVRW-OAHLLOKOSA-N -1 3 293.432 3.168 20 0 CGADHM CCc1cc(N2CCC[C@@H](C(=O)[O-])C2)c2ccccc2n1 ZINC000263383095 377930789 /nfs/dbraw/zinc/93/07/89/377930789.db2.gz DAMJXRXFWGJEOJ-GFCCVEGCSA-N -1 3 284.359 3.098 20 0 CGADHM Cc1noc(C)c1[N-]C(=O)c1sccc1OC(F)F ZINC000264387194 377981972 /nfs/dbraw/zinc/98/19/72/377981972.db2.gz HHRDFOAYPDLVPZ-UHFFFAOYSA-N -1 3 288.275 3.207 20 0 CGADHM CC(C)(C)c1coc([N-]C(=O)c2ocnc2C2CC2)n1 ZINC000575759838 377988409 /nfs/dbraw/zinc/98/84/09/377988409.db2.gz WGEISKPDAKUETJ-UHFFFAOYSA-N -1 3 275.308 3.090 20 0 CGADHM Cc1ccccc1[C@@H]1CN(Cc2ncccc2[O-])[C@@H](C)CO1 ZINC000575906457 377999346 /nfs/dbraw/zinc/99/93/46/377999346.db2.gz AXYWLDDWJCFHDM-KSSFIOAISA-N -1 3 298.386 3.058 20 0 CGADHM O=C([O-])c1ccc(CN2CCC[C@H]2c2ccccn2)cc1 ZINC000578598723 378084227 /nfs/dbraw/zinc/08/42/27/378084227.db2.gz XLZHNZGNRHMKSR-INIZCTEOSA-N -1 3 282.343 3.117 20 0 CGADHM CO[C@H]1CCC[C@H](C(=O)Nc2ccc(Cl)cc2[O-])C1 ZINC000343888063 378124968 /nfs/dbraw/zinc/12/49/68/378124968.db2.gz NVHBHMATUZBKBE-ONGXEEELSA-N -1 3 283.755 3.189 20 0 CGADHM Cc1oc([C@@H](C)N(C)CCC2CCOCC2)cc1C(=O)[O-] ZINC000579364685 378153905 /nfs/dbraw/zinc/15/39/05/378153905.db2.gz TYLDULVKZFGJFJ-LLVKDONJSA-N -1 3 295.379 3.096 20 0 CGADHM C[C@@H](NCc1cc(C(=O)[O-])co1)[C@@H](C)c1ccccc1 ZINC000579245115 378143485 /nfs/dbraw/zinc/14/34/85/378143485.db2.gz FJQACYLFOOETTN-VXGBXAGGSA-N -1 3 273.332 3.260 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)[C@@H]2C[C@H]2CC(C)C)c1-c1ccccc1 ZINC000579315147 378148692 /nfs/dbraw/zinc/14/86/92/378148692.db2.gz QSGYCQNGLMQVKE-HUUCEWRRSA-N -1 3 297.402 3.428 20 0 CGADHM Cc1ccc(C[C@H](C)N(C)Cc2ccc(C(=O)[O-])o2)cc1 ZINC000578777954 378099240 /nfs/dbraw/zinc/09/92/40/378099240.db2.gz AIIZQMVYSAHFHR-ZDUSSCGKSA-N -1 3 287.359 3.349 20 0 CGADHM C[C@@H](CC(=O)[O-])N(C)Cc1cccc(Cl)c1Cl ZINC000578766918 378099526 /nfs/dbraw/zinc/09/95/26/378099526.db2.gz KURULEJOXPSMQT-QMMMGPOBSA-N -1 3 276.163 3.288 20 0 CGADHM Cc1ccc(C(=O)N[C@H]2CCC[C@@H](F)C2)c([O-])c1C ZINC000579358791 378152959 /nfs/dbraw/zinc/15/29/59/378152959.db2.gz YRMBWANFKNKXCV-NEPJUHHUSA-N -1 3 265.328 3.020 20 0 CGADHM Cc1oc(CN(C)CCC2CCCC2)cc1C(=O)[O-] ZINC000579484162 378165259 /nfs/dbraw/zinc/16/52/59/378165259.db2.gz HOGFZEULSSNJFV-UHFFFAOYSA-N -1 3 265.353 3.298 20 0 CGADHM CCO[N-]C(=O)/C=C(\C)c1ccccc1C(F)(F)F ZINC000266064807 190227592 /nfs/dbraw/zinc/22/75/92/190227592.db2.gz VXDILTYBZNEWTK-CMDGGOBGSA-N -1 3 273.254 3.176 20 0 CGADHM CCCN(C(=O)CCCc1ccc([O-])c(F)c1)C1CC1 ZINC000345415976 378279404 /nfs/dbraw/zinc/27/94/04/378279404.db2.gz PXBLKRFNMQQGRX-UHFFFAOYSA-N -1 3 279.355 3.255 20 0 CGADHM COc1ccc2nc(NC([O-])=NOCC(C)C)sc2c1 ZINC000269735763 378262301 /nfs/dbraw/zinc/26/23/01/378262301.db2.gz YSEFBGKUUXKTLQ-UHFFFAOYSA-N -1 3 295.364 3.014 20 0 CGADHM COc1ccc2nc(NC(=O)[N-]OCC(C)C)sc2c1 ZINC000269735763 378262311 /nfs/dbraw/zinc/26/23/11/378262311.db2.gz YSEFBGKUUXKTLQ-UHFFFAOYSA-N -1 3 295.364 3.014 20 0 CGADHM C[C@H]1CC[C@@H](CCC(=O)Nc2ccc(Cl)cc2[O-])O1 ZINC000270031684 378296932 /nfs/dbraw/zinc/29/69/32/378296932.db2.gz GEMKRRKCLADBOM-ONGXEEELSA-N -1 3 283.755 3.332 20 0 CGADHM CCOc1nc2ccc(C(=O)N(C)c3ccccc3)cc2[n-]1 ZINC000345647411 378332900 /nfs/dbraw/zinc/33/29/00/378332900.db2.gz WVVUIHKDEKBNLS-UHFFFAOYSA-N -1 3 295.342 3.238 20 0 CGADHM CCOc1nc2cc(C(=O)N(C)c3ccccc3)ccc2[n-]1 ZINC000345647411 378332906 /nfs/dbraw/zinc/33/29/06/378332906.db2.gz WVVUIHKDEKBNLS-UHFFFAOYSA-N -1 3 295.342 3.238 20 0 CGADHM CCC1(CC)CCCN(Cc2oncc2C(=O)[O-])CC1 ZINC000583877227 378355723 /nfs/dbraw/zinc/35/57/23/378355723.db2.gz AZQLTYXXIAVMAJ-UHFFFAOYSA-N -1 3 280.368 3.165 20 0 CGADHM Cc1ccc([O-])c(NC(=O)CCn2ccc3ccccc32)n1 ZINC000345918482 378408262 /nfs/dbraw/zinc/40/82/62/378408262.db2.gz BBSVBVVUAGMBEK-UHFFFAOYSA-N -1 3 295.342 3.079 20 0 CGADHM Cc1cc(C(=O)Nc2nc(C)ccc2[O-])sc1C ZINC000345921774 378409368 /nfs/dbraw/zinc/40/93/68/378409368.db2.gz DUSYKBRWSFAWTC-UHFFFAOYSA-N -1 3 262.334 3.026 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2cccc3ccc(C)nc32)n1 ZINC000345931877 378411492 /nfs/dbraw/zinc/41/14/92/378411492.db2.gz RPBJKNTYWUELRP-UHFFFAOYSA-N -1 3 293.326 3.205 20 0 CGADHM Cc1cc(C(=O)N(C)[C@@H]2CCc3ccccc3C2)ccc1[O-] ZINC000272544641 378663629 /nfs/dbraw/zinc/66/36/29/378663629.db2.gz YGQLSCAHJMKPCL-QGZVFWFLSA-N -1 3 295.382 3.330 20 0 CGADHM Cc1cc(C(=O)N[C@@H]2CCCc3occc32)ccc1[O-] ZINC000272633108 378680422 /nfs/dbraw/zinc/68/04/22/378680422.db2.gz WZYGAHZFRDXJJI-CYBMUJFWSA-N -1 3 271.316 3.101 20 0 CGADHM CCCSCC(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000274426333 378831283 /nfs/dbraw/zinc/83/12/83/378831283.db2.gz ZOTIPKTXSATENY-NSHDSACASA-N -1 3 279.405 3.376 20 0 CGADHM Cc1csc(C(=O)[N-]c2n[nH]c(C3CCC3)n2)c1Cl ZINC000276833150 379005529 /nfs/dbraw/zinc/00/55/29/379005529.db2.gz OVZUVFPGQPSXRD-UHFFFAOYSA-N -1 3 296.783 3.348 20 0 CGADHM C[C@@H]1CCCCN(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000347150971 218139432 /nfs/dbraw/zinc/13/94/32/218139432.db2.gz DFNLPRFNGOTYSQ-SNVBAGLBSA-N -1 3 267.756 3.308 20 0 CGADHM C[C@H](CCC(C)(C)C)C(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000348874567 379094265 /nfs/dbraw/zinc/09/42/65/379094265.db2.gz INXAVKOLJHDEOV-SNVBAGLBSA-N -1 3 290.367 3.466 20 0 CGADHM C[C@H](CCC(C)(C)C)C(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000348874567 379094272 /nfs/dbraw/zinc/09/42/72/379094272.db2.gz INXAVKOLJHDEOV-SNVBAGLBSA-N -1 3 290.367 3.466 20 0 CGADHM C[C@H](CCC(C)(C)C)C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000348874567 379094280 /nfs/dbraw/zinc/09/42/80/379094280.db2.gz INXAVKOLJHDEOV-SNVBAGLBSA-N -1 3 290.367 3.466 20 0 CGADHM O=C(c1ccc2n[n-]nc2c1)N1CCC(C2CCCC2)CC1 ZINC000371122778 379110709 /nfs/dbraw/zinc/11/07/09/379110709.db2.gz ZKVPNFPCZXGYMC-UHFFFAOYSA-N -1 3 298.390 3.000 20 0 CGADHM CC(C)(C)c1cc(-c2nc(-c3ccc([O-])cc3)no2)no1 ZINC000266609370 190271186 /nfs/dbraw/zinc/27/11/86/190271186.db2.gz QVVQGZOXEWJPEW-UHFFFAOYSA-N -1 3 285.303 3.395 20 0 CGADHM Cc1cc(-c2noc(-c3cc(-c4ccco4)n[n-]3)n2)ccn1 ZINC000350545599 379557825 /nfs/dbraw/zinc/55/78/25/379557825.db2.gz PUMDUGNYDXNGKF-UHFFFAOYSA-N -1 3 293.286 3.090 20 0 CGADHM Cc1cc(-c2noc(-c3cc(-c4ccco4)[n-]n3)n2)ccn1 ZINC000350545599 379557828 /nfs/dbraw/zinc/55/78/28/379557828.db2.gz PUMDUGNYDXNGKF-UHFFFAOYSA-N -1 3 293.286 3.090 20 0 CGADHM COc1cccc(OCc2nc(-c3ccc([O-])cc3)no2)c1 ZINC000350583538 379566288 /nfs/dbraw/zinc/56/62/88/379566288.db2.gz OBHQLFZMAGWJFE-UHFFFAOYSA-N -1 3 298.298 3.030 20 0 CGADHM COc1cnccc1-c1noc(-c2ccc(C)c(C)c2[O-])n1 ZINC000350919476 379612600 /nfs/dbraw/zinc/61/26/00/379612600.db2.gz DDQACFSHVCULAY-UHFFFAOYSA-N -1 3 297.314 3.130 20 0 CGADHM O=C(Cc1ccc([O-])cc1Cl)N1CC2(C1)CCCCC2 ZINC000378561621 379840836 /nfs/dbraw/zinc/84/08/36/379840836.db2.gz INGFDZAIBLJGCP-UHFFFAOYSA-N -1 3 293.794 3.381 20 0 CGADHM CC(C)SCCSc1n[n-]c(-c2ccccn2)n1 ZINC000282156745 379863481 /nfs/dbraw/zinc/86/34/81/379863481.db2.gz GFEGGMQQCSFSSO-UHFFFAOYSA-N -1 3 280.422 3.100 20 0 CGADHM O=C([O-])[C@@H]1CC12CCN(Cc1ccc(C(F)F)cc1)CC2 ZINC000405361109 379984340 /nfs/dbraw/zinc/98/43/40/379984340.db2.gz OUILHSSMYXKOHG-ZDUSSCGKSA-N -1 3 295.329 3.311 20 0 CGADHM Cc1cccc2c(=O)c(C(=O)N3CCC[C@@H]3C(C)C)c[n-]c12 ZINC000408345657 380005296 /nfs/dbraw/zinc/00/52/96/380005296.db2.gz CUXAGIHRNXSXBM-OAHLLOKOSA-N -1 3 298.386 3.097 20 0 CGADHM Cc1ccc(C(=O)Nc2ccc(Br)cc2[O-])o1 ZINC000642322981 380163835 /nfs/dbraw/zinc/16/38/35/380163835.db2.gz DIJZKUZFCSJXLE-UHFFFAOYSA-N -1 3 296.120 3.308 20 0 CGADHM C[C@@H]1CC2(CCC2)CN1Cc1c(F)ccc([O-])c1F ZINC000353208962 380169132 /nfs/dbraw/zinc/16/91/32/380169132.db2.gz XYJJKWPDLFDBBS-SNVBAGLBSA-N -1 3 267.319 3.435 20 0 CGADHM Cc1nnc([N-]CC(F)(F)c2ccc(Cl)cc2)o1 ZINC000286409334 380210078 /nfs/dbraw/zinc/21/00/78/380210078.db2.gz OZDYWEKRTMYKML-UHFFFAOYSA-N -1 3 273.670 3.235 20 0 CGADHM O=C(CCCC1CC1)Nc1n[n-]c(-c2ccccc2F)n1 ZINC000643193348 380229317 /nfs/dbraw/zinc/22/93/17/380229317.db2.gz TWEXTMWMMCENDK-UHFFFAOYSA-N -1 3 288.326 3.130 20 0 CGADHM Cc1cc(C(=O)Nc2ccc(-c3ncon3)cc2)ccc1[O-] ZINC000354467538 380449973 /nfs/dbraw/zinc/44/99/73/380449973.db2.gz NDYYTQWPDIMBGT-UHFFFAOYSA-N -1 3 295.298 3.003 20 0 CGADHM CCc1cc(C(=O)N[C@@H](C)c2c(C)noc2C)ccc1[O-] ZINC000643985915 380405246 /nfs/dbraw/zinc/40/52/46/380405246.db2.gz JEANVEFATVBMCM-VIFPVBQESA-N -1 3 288.347 3.050 20 0 CGADHM CCc1[nH]ccc1C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000354520153 380467316 /nfs/dbraw/zinc/46/73/16/380467316.db2.gz HHPFVJJSMZDEHA-UHFFFAOYSA-N -1 3 278.739 3.497 20 0 CGADHM CC[C@@H](CCC(=O)[O-])NCc1c(F)cccc1Cl ZINC000417607052 380648897 /nfs/dbraw/zinc/64/88/97/380648897.db2.gz FWJAVVOIGVQHAP-VIFPVBQESA-N -1 3 273.735 3.212 20 0 CGADHM CCc1cnc(CN[C@H]2CCCCCC[C@@H]2C(=O)[O-])s1 ZINC000417567596 380640377 /nfs/dbraw/zinc/64/03/77/380640377.db2.gz SOLVSPDQSQODRJ-STQMWFEESA-N -1 3 296.436 3.219 20 0 CGADHM CO[C@]1(C)C[C@H](NCc2cccc([O-])c2Cl)C1(C)C ZINC000645160484 380598187 /nfs/dbraw/zinc/59/81/87/380598187.db2.gz LVJTVZUJTMVFEZ-SWLSCSKDSA-N -1 3 283.799 3.339 20 0 CGADHM Cc1cccc(C)c1[C@@H](C)NC(=O)c1ccc2n[n-]nc2c1 ZINC000355155658 380602602 /nfs/dbraw/zinc/60/26/02/380602602.db2.gz CZURYKNOMSAWIV-GFCCVEGCSA-N -1 3 294.358 3.066 20 0 CGADHM CC[C@H](CCNCc1c(F)cc(C)cc1Cl)C(=O)[O-] ZINC000417667826 380663822 /nfs/dbraw/zinc/66/38/22/380663822.db2.gz JFJYDNNRRWOKDX-SNVBAGLBSA-N -1 3 287.762 3.378 20 0 CGADHM C[C@]1(F)CCN(Cc2cc([O-])ccc2Br)C1 ZINC000355372430 380666562 /nfs/dbraw/zinc/66/65/62/380666562.db2.gz ZETJIABSENRGTD-LBPRGKRZSA-N -1 3 288.160 3.089 20 0 CGADHM O=C([O-])[C@H](CC1CCC1)NCc1cc(Cl)ccc1F ZINC000417707021 380668796 /nfs/dbraw/zinc/66/87/96/380668796.db2.gz PZBKCNWHJQXCPA-ZDUSSCGKSA-N -1 3 285.746 3.212 20 0 CGADHM Cc1oc(C(C)C)cc1C(=O)Nc1nc(C)ccc1[O-] ZINC000355505524 380691312 /nfs/dbraw/zinc/69/13/12/380691312.db2.gz READSSCXSYUEEF-UHFFFAOYSA-N -1 3 274.320 3.373 20 0 CGADHM C[C@@H](NCc1c(Cl)oc2ccccc21)[C@H](C)C(=O)[O-] ZINC000417609356 380650461 /nfs/dbraw/zinc/65/04/61/380650461.db2.gz KLFMIGTYDXBQAS-DTWKUNHWSA-N -1 3 281.739 3.285 20 0 CGADHM O=C([O-])CC[C@@H]1CCCC[C@H]1NCc1ccc(Cl)o1 ZINC000417619535 380653535 /nfs/dbraw/zinc/65/35/35/380653535.db2.gz FFRQHCOAZISRIS-CMPLNLGQSA-N -1 3 285.771 3.446 20 0 CGADHM Cc1ccsc1CN[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000417621446 380655548 /nfs/dbraw/zinc/65/55/48/380655548.db2.gz MVCNBZJSRXGALJ-KGLIPLIRSA-N -1 3 287.384 3.459 20 0 CGADHM C[C@H](C1CCC1)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000357029265 381000573 /nfs/dbraw/zinc/00/05/73/381000573.db2.gz CRXOASUILRIGSY-SECBINFHSA-N -1 3 277.393 3.017 20 0 CGADHM CCN(C(=O)c1cccc([O-])c1)[C@H]1CCCC[C@@H]1C ZINC000357431240 381155196 /nfs/dbraw/zinc/15/51/96/381155196.db2.gz LYHVAZDVCHQXOF-WFASDCNBSA-N -1 3 261.365 3.433 20 0 CGADHM O=C(Nc1ccc([O-])cc1F)c1cc2cc(F)ccc2[nH]1 ZINC000357517439 381190983 /nfs/dbraw/zinc/19/09/83/381190983.db2.gz KXBMYSXEQIRBCI-UHFFFAOYSA-N -1 3 288.253 3.404 20 0 CGADHM C[C@H](c1noc(-c2cc(-c3ccco3)[n-]n2)n1)C1CC1 ZINC000357597804 381224774 /nfs/dbraw/zinc/22/47/74/381224774.db2.gz QFONBQULRXKZRO-QMMMGPOBSA-N -1 3 270.292 3.233 20 0 CGADHM C[C@H](c1noc(-c2cc(-c3ccco3)n[n-]2)n1)C1CC1 ZINC000357597804 381224784 /nfs/dbraw/zinc/22/47/84/381224784.db2.gz QFONBQULRXKZRO-QMMMGPOBSA-N -1 3 270.292 3.233 20 0 CGADHM Cc1ccc(NC(=O)C2CCC(OC(F)F)CC2)c([O-])c1 ZINC000348509856 218641627 /nfs/dbraw/zinc/64/16/27/218641627.db2.gz SXMBQNINBRPSRB-UHFFFAOYSA-N -1 3 299.317 3.437 20 0 CGADHM [O-]c1cc(Cl)c(CN2C[C@@H](F)[C@@H](F)C2)c(Cl)c1 ZINC001142106098 804695835 /nfs/dbraw/zinc/69/58/35/804695835.db2.gz ZBKINFHMWAVLPG-PHIMTYICSA-N -1 3 282.117 3.191 20 0 CGADHM [O-]c1coc2cc(OC/C=C\c3ccccc3)ccc12 ZINC000214887248 542285048 /nfs/dbraw/zinc/28/50/48/542285048.db2.gz MVFLQEVLARLEIQ-DAXSKMNVSA-N -1 3 266.296 3.354 20 0 CGADHM CCc1ccc(-c2nc(C3(OC)CCC3)no2)c([O-])c1 ZINC000288943129 197197755 /nfs/dbraw/zinc/19/77/55/197197755.db2.gz ANBLRTWZDHHVJQ-UHFFFAOYSA-N -1 3 274.320 3.030 20 0 CGADHM CC[C@@H](c1ccc(F)cc1F)N1CCC[C@@H](C(=O)[O-])C1 ZINC000361506081 381781071 /nfs/dbraw/zinc/78/10/71/381781071.db2.gz BEOHDLXDHYERSP-YGRLFVJLSA-N -1 3 283.318 3.213 20 0 CGADHM CCc1cc(C(=O)N(C)Cc2cccc(OC)c2)ccc1[O-] ZINC000362285635 381928820 /nfs/dbraw/zinc/92/88/20/381928820.db2.gz LFSSDMVMUHFWSN-UHFFFAOYSA-N -1 3 299.370 3.235 20 0 CGADHM COc1cc(C(=O)N2CCC[C@H]2CC(C)(C)C)ccc1[O-] ZINC000362398018 381976527 /nfs/dbraw/zinc/97/65/27/381976527.db2.gz PDYOHVJGPBUQSY-ZDUSSCGKSA-N -1 3 291.391 3.442 20 0 CGADHM CCc1cc(C(=O)N2CCCC[C@H](SC)C2)ccc1[O-] ZINC000362909352 382145065 /nfs/dbraw/zinc/14/50/65/382145065.db2.gz SGXQOSKAGYPMBR-AWEZNQCLSA-N -1 3 293.432 3.312 20 0 CGADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H](C)C3CC3)nc2)n1 ZINC000370088081 382417724 /nfs/dbraw/zinc/41/77/24/382417724.db2.gz AAOBXGXNNBQYIL-JTQLQIEISA-N -1 3 284.363 3.017 20 0 CGADHM O=C([O-])c1cccc(CN2CCS[C@@H]3CCCC[C@H]32)c1 ZINC000263508474 304259926 /nfs/dbraw/zinc/25/99/26/304259926.db2.gz XYCVREGUOIRHDZ-HUUCEWRRSA-N -1 3 291.416 3.245 20 0 CGADHM O=c1[nH]c2ccccc2cc1-c1nc2ccccc2[n-]1 ZINC000013588784 285200209 /nfs/dbraw/zinc/20/02/09/285200209.db2.gz CMHODBMVRLRLOW-UHFFFAOYSA-N -1 3 261.284 3.071 20 0 in-vivo CGADHM O=C([O-])CC[C@H]1CCCN(Cc2cnc3ccccc3c2)C1 ZINC000318140333 542438575 /nfs/dbraw/zinc/43/85/75/542438575.db2.gz UQRHSHIYXJIXSA-CQSZACIVSA-N -1 3 298.386 3.312 20 0 CGADHM Cc1ccc([O-])c(NC(=O)[C@@H]2CC[C@H](C(F)(F)F)C2)n1 ZINC000334204598 542454974 /nfs/dbraw/zinc/45/49/74/542454974.db2.gz WGGQDTNDJBRZNF-BDAKNGLRSA-N -1 3 288.269 3.013 20 0 CGADHM C[C@H](NC(=O)c1cc([O-])c2ccccc2c1)[C@@H]1CCCOC1 ZINC000335165895 542465209 /nfs/dbraw/zinc/46/52/09/542465209.db2.gz KBNOVHPRRXSBEX-GXTWGEPZSA-N -1 3 299.370 3.090 20 0 CGADHM CO[C@H]1C[C@@H](NC(=O)c2cc([O-])c3ccccc3c2)C1(C)C ZINC000354818872 542564941 /nfs/dbraw/zinc/56/49/41/542564941.db2.gz KBJDUBAIPRUVIO-CVEARBPZSA-N -1 3 299.370 3.089 20 0 CGADHM C[C@H](c1ccc(F)c(Cl)c1)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000086779910 224513348 /nfs/dbraw/zinc/51/33/48/224513348.db2.gz XJKZQBUYCQOGGD-YMTOWFKASA-N -1 3 285.746 3.337 20 0 CGADHM O=c1[n-]c(-c2cccc(C(F)(F)F)n2)nc2ccccc21 ZINC000342677857 285399252 /nfs/dbraw/zinc/39/92/52/285399252.db2.gz MBDROASGXXTYPO-UHFFFAOYSA-N -1 3 291.232 3.416 20 0 CGADHM Cc1ccc(C(=O)Nc2cccnc2OC(C)C)c([O-])c1 ZINC000436511301 533617419 /nfs/dbraw/zinc/61/74/19/533617419.db2.gz IMYRONMFCQTRQE-UHFFFAOYSA-N -1 3 286.331 3.135 20 0 CGADHM C[C@@H]1CCCC[C@H]1N(C)C(=O)Cc1ccc([O-])c(F)c1 ZINC000448656334 533604067 /nfs/dbraw/zinc/60/40/67/533604067.db2.gz NLWLFDXFZNRCMK-BXUZGUMPSA-N -1 3 279.355 3.111 20 0 CGADHM C[C@@H]1CCCC[C@H]1CN1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000394873637 542614725 /nfs/dbraw/zinc/61/47/25/542614725.db2.gz BBZXOMBLOVRAQB-KEYYUXOJSA-N -1 3 287.403 3.497 20 0 CGADHM Cc1cccc(Cl)c1[N-]S(=O)(=O)c1ccccc1 ZINC000090567648 392229606 /nfs/dbraw/zinc/22/96/06/392229606.db2.gz NPKASAXTSXIRAK-UHFFFAOYSA-N -1 3 281.764 3.449 20 0 CGADHM O=[S@](Cc1ccc(Cl)cc1)c1ccc([O-])cc1 ZINC000108087035 392335496 /nfs/dbraw/zinc/33/54/96/392335496.db2.gz QKFUWKQJCLQMAT-KRWDZBQOSA-N -1 3 266.749 3.353 20 0 CGADHM COc1ccc(NC(=O)C2(c3ccccc3)CCC2)c([O-])c1 ZINC000443564234 542666782 /nfs/dbraw/zinc/66/67/82/542666782.db2.gz ZBPZZGXTXDDZOV-UHFFFAOYSA-N -1 3 297.354 3.461 20 0 CGADHM C[C@@H](c1ccc(F)c(F)c1)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000262057203 131187660 /nfs/dbraw/zinc/18/76/60/131187660.db2.gz BEMGGSLWPKFDMB-KNHMANMVSA-N -1 3 295.329 3.213 20 0 CGADHM O=C([O-])CCCN[C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000263142944 131283806 /nfs/dbraw/zinc/28/38/06/131283806.db2.gz JWJAYSNHBGJQRC-LLVKDONJSA-N -1 3 293.260 3.274 20 0 CGADHM O=C([N-]c1cccc(F)c1F)c1ncoc1[C@@H]1CCCO1 ZINC000115045969 392388430 /nfs/dbraw/zinc/38/84/30/392388430.db2.gz SFRKJUSJNHTLNW-JTQLQIEISA-N -1 3 294.257 3.057 20 0 CGADHM Cc1ccc([O-])c(C(=O)N(C(C)C)C2CCCC2)c1 ZINC000264057343 131388423 /nfs/dbraw/zinc/38/84/23/131388423.db2.gz OGADDCXWUNDBIF-UHFFFAOYSA-N -1 3 261.365 3.494 20 0 CGADHM CO[C@@H](C(=O)Nc1ccc(Cl)cc1[O-])c1ccccc1 ZINC000153603450 392521643 /nfs/dbraw/zinc/52/16/43/392521643.db2.gz SYLZTSXMJIIUAG-CQSZACIVSA-N -1 3 291.734 3.372 20 0 CGADHM CCc1nnc(NC(=O)c2cc([O-])c3ccccc3c2)s1 ZINC000471782663 542702000 /nfs/dbraw/zinc/70/20/00/542702000.db2.gz UPDUOTWSYFJYJP-UHFFFAOYSA-N -1 3 299.355 3.212 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])c1noc2c1CCCCC2 ZINC000156888970 392549041 /nfs/dbraw/zinc/54/90/41/392549041.db2.gz WWOSVUQNIJBUHN-UHFFFAOYSA-N -1 3 290.294 3.041 20 0 CGADHM CC1CCC(N(C(=O)c2csc(=O)[n-]2)C2CC2)CC1 ZINC000335281072 392788037 /nfs/dbraw/zinc/78/80/37/392788037.db2.gz DGYPFUPZWSIIBB-UHFFFAOYSA-N -1 3 280.393 3.032 20 0 CGADHM CC1(C)CCCC[C@@H]1C(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000194017666 392894719 /nfs/dbraw/zinc/89/47/19/392894719.db2.gz XMTOZGQRXQJYMG-SNVBAGLBSA-N -1 3 288.351 3.220 20 0 CGADHM CC1(C)CCCC[C@@H]1C(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000194017666 392894725 /nfs/dbraw/zinc/89/47/25/392894725.db2.gz XMTOZGQRXQJYMG-SNVBAGLBSA-N -1 3 288.351 3.220 20 0 CGADHM CC1(C)CCCC[C@@H]1C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000194017666 392894727 /nfs/dbraw/zinc/89/47/27/392894727.db2.gz XMTOZGQRXQJYMG-SNVBAGLBSA-N -1 3 288.351 3.220 20 0 CGADHM COc1ccc(C(=O)N(C)[C@@H](C)c2ccccc2)c([O-])c1 ZINC000194103609 392901850 /nfs/dbraw/zinc/90/18/50/392901850.db2.gz UIDKQKHXSVYQOH-LBPRGKRZSA-N -1 3 285.343 3.234 20 0 CGADHM COc1ccc(NC(=O)c2cccc([O-])c2)c2ncccc12 ZINC000547463543 393120439 /nfs/dbraw/zinc/12/04/39/393120439.db2.gz SRPNDVQACVBXSA-UHFFFAOYSA-N -1 3 294.310 3.201 20 0 CGADHM CCc1cccc(C(=O)N2CCCCC[C@H]2C)c1[O-] ZINC000547949457 393160994 /nfs/dbraw/zinc/16/09/94/393160994.db2.gz AZJHEGGSBFIQAJ-GFCCVEGCSA-N -1 3 261.365 3.359 20 0 CGADHM CCc1nccn1[C@@H](C)CC(=O)Nc1ccc(C)cc1[O-] ZINC000648713916 393218910 /nfs/dbraw/zinc/21/89/10/393218910.db2.gz IOGSBLWQBHSVOW-LBPRGKRZSA-N -1 3 287.363 3.049 20 0 CGADHM CCC(C)(CC)C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000646215706 393242715 /nfs/dbraw/zinc/24/27/15/393242715.db2.gz CLBVXKVMTRLKPJ-UHFFFAOYSA-N -1 3 263.337 3.360 20 0 CGADHM O=C(Nc1c([O-])cccc1Cl)[C@@H]1CCC(F)(F)C1 ZINC000646488046 393292674 /nfs/dbraw/zinc/29/26/74/393292674.db2.gz VDOVDBUEAXLCKP-SSDOTTSWSA-N -1 3 275.682 3.420 20 0 CGADHM CN(C(=O)c1ccc(O)cc1[O-])[C@H]1CCC[C@H]1C(C)(C)C ZINC000416291233 393293869 /nfs/dbraw/zinc/29/38/69/393293869.db2.gz NYHCGTHRFJFBKL-KGLIPLIRSA-N -1 3 291.391 3.385 20 0 CGADHM Cc1cccc2c1ncc(C)c2N(C)CCCC(=O)[O-] ZINC000416421045 393311450 /nfs/dbraw/zinc/31/14/50/393311450.db2.gz ASIZLBASFWLBJM-UHFFFAOYSA-N -1 3 272.348 3.153 20 0 CGADHM O=C(N[C@H](C1CCC1)C1CCCC1)c1cccc2nn[n-]c21 ZINC000649006076 393316907 /nfs/dbraw/zinc/31/69/07/393316907.db2.gz BKBQBYCFKPHIMM-HNNXBMFYSA-N -1 3 298.390 3.047 20 0 CGADHM O=C(N[C@H](C1CCC1)C1CCCC1)c1cccc2[n-]nnc21 ZINC000649006076 393316919 /nfs/dbraw/zinc/31/69/19/393316919.db2.gz BKBQBYCFKPHIMM-HNNXBMFYSA-N -1 3 298.390 3.047 20 0 CGADHM O=C(N[C@H](C1CCC1)C1CCCC1)c1cccc2n[n-]nc21 ZINC000649006076 393316928 /nfs/dbraw/zinc/31/69/28/393316928.db2.gz BKBQBYCFKPHIMM-HNNXBMFYSA-N -1 3 298.390 3.047 20 0 CGADHM C[C@@H]([N-]C(=O)C(F)F)c1cccc(Cl)c1Cl ZINC000278380297 393319283 /nfs/dbraw/zinc/31/92/83/393319283.db2.gz AQBNWSBJVGSKHW-RXMQYKEDSA-N -1 3 268.090 3.436 20 0 CGADHM Cc1ccc(C(=O)N2CCC(C3CC3)CC2)c([O-])c1C ZINC000646770292 393323051 /nfs/dbraw/zinc/32/30/51/393323051.db2.gz KSLJHVVHJKZWOP-UHFFFAOYSA-N -1 3 273.376 3.271 20 0 CGADHM CN(CCC(C)(C)C)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000649026138 393324630 /nfs/dbraw/zinc/32/46/30/393324630.db2.gz FJAPMEYBBFWDDG-UHFFFAOYSA-N -1 3 286.375 3.036 20 0 CGADHM Cc1nc(C2CC2)ccc1C(=O)Nc1cc(F)ccc1[O-] ZINC000649065841 393340623 /nfs/dbraw/zinc/34/06/23/393340623.db2.gz UEZHJBXBOVIWTK-UHFFFAOYSA-N -1 3 286.306 3.364 20 0 CGADHM CCc1[n-][nH]c(=NC(=O)c2coc3cc(C)c(C)cc23)c1C ZINC000474852936 393352613 /nfs/dbraw/zinc/35/26/13/393352613.db2.gz SCGZDBDXHVPENZ-UHFFFAOYSA-N -1 3 297.358 3.318 20 0 CGADHM CN(Cc1cc([O-])cc(C(F)(F)F)c1)CC(F)F ZINC000356058703 393353661 /nfs/dbraw/zinc/35/36/61/393353661.db2.gz ORAGWHSHIICIOX-UHFFFAOYSA-N -1 3 269.213 3.108 20 0 CGADHM CC[C@H](CC(F)(F)F)C(=O)N=c1[nH][n-]c(C(C)C)c1C ZINC000649229170 393377744 /nfs/dbraw/zinc/37/77/44/393377744.db2.gz PTAZWAZPVAIHHD-SECBINFHSA-N -1 3 291.317 3.181 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)c1coc2ccccc12 ZINC000649232098 393380514 /nfs/dbraw/zinc/38/05/14/393380514.db2.gz SAFSAWJUNMGFMJ-UHFFFAOYSA-N -1 3 283.331 3.262 20 0 CGADHM CCc1c(C)nc2ccccc2c1N1CC[C@H](C(=O)[O-])[C@@H]1C ZINC000649406991 393414333 /nfs/dbraw/zinc/41/43/33/393414333.db2.gz RFKTUVAMDLFQGN-JSGCOSHPSA-N -1 3 298.386 3.405 20 0 CGADHM C[C@H](CC(C)(C)C)C(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000356325495 393420648 /nfs/dbraw/zinc/42/06/48/393420648.db2.gz TWQDHAGTETYASR-SECBINFHSA-N -1 3 276.340 3.076 20 0 CGADHM C[C@H](CC(C)(C)C)C(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000356325495 393420650 /nfs/dbraw/zinc/42/06/50/393420650.db2.gz TWQDHAGTETYASR-SECBINFHSA-N -1 3 276.340 3.076 20 0 CGADHM C[C@H](CC(C)(C)C)C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000356325495 393420652 /nfs/dbraw/zinc/42/06/52/393420652.db2.gz TWQDHAGTETYASR-SECBINFHSA-N -1 3 276.340 3.076 20 0 CGADHM O=C(NCc1ccc([O-])c(F)c1)c1cc2[nH]ccc2s1 ZINC000356477879 393456769 /nfs/dbraw/zinc/45/67/69/393456769.db2.gz LJRXQEXJBHMVJN-UHFFFAOYSA-N -1 3 290.319 3.004 20 0 CGADHM CC[C@@H](C)[C@@H](OC)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000356560985 393484339 /nfs/dbraw/zinc/48/43/39/393484339.db2.gz BDGCSAYRTPZEEE-PRHODGIISA-N -1 3 271.744 3.045 20 0 CGADHM O=C([O-])[C@H](CNCc1c(F)cccc1Cl)CC1CC1 ZINC000649511300 393462961 /nfs/dbraw/zinc/46/29/61/393462961.db2.gz CTGPHQALSZSNDH-JTQLQIEISA-N -1 3 285.746 3.070 20 0 CGADHM COCCC1(c2noc(-c3cccc(C)c3[O-])n2)CCC1 ZINC000420514943 393494657 /nfs/dbraw/zinc/49/46/57/393494657.db2.gz OZJBUHPUOWAKFY-UHFFFAOYSA-N -1 3 288.347 3.209 20 0 CGADHM O=S(=O)([N-][C@@H]1CC[C@@H]2CCC[C@H]2C1)c1ccccc1F ZINC000360889694 393608036 /nfs/dbraw/zinc/60/80/36/393608036.db2.gz UQXXXADIERALRG-RWMBFGLXSA-N -1 3 297.395 3.073 20 0 CGADHM CCC(C)(C)CCSc1ncc(C(=O)OC)[n-]1 ZINC000432667986 393626000 /nfs/dbraw/zinc/62/60/00/393626000.db2.gz IEQRJYAFVGSCBR-UHFFFAOYSA-N -1 3 256.371 3.115 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2ccc3nc(C)cn3c2)c1 ZINC000490242840 393636672 /nfs/dbraw/zinc/63/66/72/393636672.db2.gz MCZGGHCNCFAAMM-UHFFFAOYSA-N -1 3 295.342 3.163 20 0 CGADHM Cc1ccc([C@H](C)[C@H](O)C(=O)Nc2c(C)cccc2[O-])cc1 ZINC000490698511 393652160 /nfs/dbraw/zinc/65/21/60/393652160.db2.gz XSBMXAQMTGTREY-GUYCJALGSA-N -1 3 299.370 3.112 20 0 CGADHM CCC[C@H](NCc1cnc(C)[n-]c1=O)c1ccsc1 ZINC000443101119 393744158 /nfs/dbraw/zinc/74/41/58/393744158.db2.gz CJDDERDPGUNQFX-ZDUSSCGKSA-N -1 3 277.393 3.183 20 0 CGADHM Cc1ccc([O-])c(CNCc2cc(F)c(Cl)cc2F)n1 ZINC000433178139 393694621 /nfs/dbraw/zinc/69/46/21/393694621.db2.gz UJHBDTXRXVZPKG-UHFFFAOYSA-N -1 3 298.720 3.317 20 0 CGADHM CC(C)C[C@H](C)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000443729061 393771394 /nfs/dbraw/zinc/77/13/94/393771394.db2.gz CMHVCKMFRFYRFM-VIFPVBQESA-N -1 3 293.791 3.192 20 0 CGADHM CCOc1cc(-c2noc(-c3ncccc3C)n2)ccc1[O-] ZINC000445432635 393792869 /nfs/dbraw/zinc/79/28/69/393792869.db2.gz XHABADZOMJCSNG-UHFFFAOYSA-N -1 3 297.314 3.211 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2ccc3c(c2)CCO3)c1 ZINC000500735904 393837233 /nfs/dbraw/zinc/83/72/33/393837233.db2.gz ZGZZAAPJUYSUMS-UHFFFAOYSA-N -1 3 283.327 3.142 20 0 CGADHM Cc1ccc(-c2nc(-c3ccc4cc[nH]c4n3)no2)c([O-])c1 ZINC000445573374 393808800 /nfs/dbraw/zinc/80/88/00/393808800.db2.gz GWEPWINALFLPBH-UHFFFAOYSA-N -1 3 292.298 3.294 20 0 CGADHM CC(C)Cc1nnc([N-]C(=O)c2ccc(F)s2)s1 ZINC000666967805 542830095 /nfs/dbraw/zinc/83/00/95/542830095.db2.gz SSGBFVBIPYUFJF-UHFFFAOYSA-N -1 3 285.369 3.190 20 0 CGADHM CC(C)[C@@H]1C[C@H]1CNCc1c(F)ccc([O-])c1F ZINC000449555703 393900713 /nfs/dbraw/zinc/90/07/13/393900713.db2.gz RNESDXZESDSILQ-UWVGGRQHSA-N -1 3 255.308 3.052 20 0 CGADHM CO[C@@H]1C[C@@H](N(C)Cc2c(F)ccc([O-])c2F)C12CCC2 ZINC000449629186 393927873 /nfs/dbraw/zinc/92/78/73/393927873.db2.gz FBRWUBCMUZDLDS-ZIAGYGMSSA-N -1 3 297.345 3.060 20 0 CGADHM CCC(CC)(CC)NC(=O)Cc1ccc([O-])c(F)c1 ZINC000449995949 393958354 /nfs/dbraw/zinc/95/83/54/393958354.db2.gz NXGIWNFJSVMLDH-UHFFFAOYSA-N -1 3 267.344 3.159 20 0 CGADHM CC(C)C[C@@H]1C[C@H]1C(=O)Nc1cc(F)ccc1[O-] ZINC000450049992 393969255 /nfs/dbraw/zinc/96/92/55/393969255.db2.gz ZROIDMUTHVBXCL-MWLCHTKSSA-N -1 3 251.301 3.152 20 0 CGADHM Cc1ccc(C(=O)NC[C@H]2CCCC2(F)F)c([O-])c1C ZINC000452835923 394127557 /nfs/dbraw/zinc/12/75/57/394127557.db2.gz HICLBOVHTUNHAM-LLVKDONJSA-N -1 3 283.318 3.174 20 0 CGADHM CC(=O)c1ccc(C(=O)N(CC(C)C)C(C)C)cc1[O-] ZINC000667762220 542926372 /nfs/dbraw/zinc/92/63/72/542926372.db2.gz QMZYWNUJRKSGNM-UHFFFAOYSA-N -1 3 277.364 3.101 20 0 CGADHM CSc1ccc([O-])c(C(=O)N2CCC[C@@H](C)[C@@H]2C)c1 ZINC000669137806 543089177 /nfs/dbraw/zinc/08/91/77/543089177.db2.gz CTNUNAKSAUCTTK-MNOVXSKESA-N -1 3 279.405 3.375 20 0 CGADHM CSc1ccncc1[N-]C(=O)c1nc(C(C)C)oc1C ZINC000671764379 543187649 /nfs/dbraw/zinc/18/76/49/543187649.db2.gz ALVBHDHNZAZPIP-UHFFFAOYSA-N -1 3 291.376 3.476 20 0 CGADHM Cc1ccc(Cl)c2sc([N-]C(=O)c3cnco3)nc21 ZINC000672366015 543210801 /nfs/dbraw/zinc/21/08/01/543210801.db2.gz KBLSJERPJFUJFK-UHFFFAOYSA-N -1 3 293.735 3.498 20 0 CGADHM Cc1oc(C)c(C(=O)Nc2cc(F)ccc2[O-])c1C ZINC000674015049 543263297 /nfs/dbraw/zinc/26/32/97/543263297.db2.gz IQECDANNOQBLJO-UHFFFAOYSA-N -1 3 263.268 3.302 20 0 CGADHM O=C(NC[C@H]1CC[C@H](c2ccccc2)O1)c1ccccc1[O-] ZINC000650834313 397932435 /nfs/dbraw/zinc/93/24/35/397932435.db2.gz LXRSBJGNPVMIIJ-RHSMWYFYSA-N -1 3 297.354 3.042 20 0 CGADHM CCc1cc(=O)[n-]c(CN2CC[C@H](C)[C@@H]3CCCC[C@H]32)n1 ZINC000675183336 543319844 /nfs/dbraw/zinc/31/98/44/543319844.db2.gz YTKFTNLOHUZYGG-AEGPPILISA-N -1 3 289.423 3.145 20 0 CGADHM CC(C)(CNCc1c(F)ccc([O-])c1F)C(F)(F)F ZINC000552235676 289173644 /nfs/dbraw/zinc/17/36/44/289173644.db2.gz NSJBACZSUDCWKG-UHFFFAOYSA-N -1 3 283.240 3.349 20 0 CGADHM COc1ccc(C(=O)Nc2cccc([O-])c2F)c(Cl)c1 ZINC000677801168 543466039 /nfs/dbraw/zinc/46/60/39/543466039.db2.gz HDPFMXITNZJUMT-UHFFFAOYSA-N -1 3 295.697 3.446 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CCC[C@@H]2c2ccc(O)cc2)c1 ZINC000678318140 543514575 /nfs/dbraw/zinc/51/45/75/543514575.db2.gz ZVCHBXCKYKMQAC-MRXNPFEDSA-N -1 3 297.354 3.384 20 0 CGADHM CSc1ccsc1C(=O)[N-]c1nnc(C2CC2)s1 ZINC000554544955 289290891 /nfs/dbraw/zinc/29/08/91/289290891.db2.gz RRAPVGPFHBVJFG-UHFFFAOYSA-N -1 3 297.430 3.451 20 0 CGADHM COc1ccc(C(=O)N2[C@@H](C)C[C@H]3CCCC[C@@H]32)c([O-])c1 ZINC000173051287 286285048 /nfs/dbraw/zinc/28/50/48/286285048.db2.gz DNNFINKZMCQJQK-ZOWXZIJZSA-N -1 3 289.375 3.194 20 0 CGADHM Cc1nc(NC(=O)c2cccc(C)c2[O-])sc1C ZINC000042228448 286892802 /nfs/dbraw/zinc/89/28/02/286892802.db2.gz DOZNYIJKVDLOMY-UHFFFAOYSA-N -1 3 262.334 3.026 20 0 CGADHM CCc1ncc(C(=O)[N-]c2nnc(C(C)(C)C)s2)s1 ZINC000049175857 286918889 /nfs/dbraw/zinc/91/88/89/286918889.db2.gz JBUCOVDEIHJAQJ-UHFFFAOYSA-N -1 3 296.421 3.107 20 0 CGADHM O=C(NCc1cccc2ccccc21)c1ccccc1[O-] ZINC000055460732 286944972 /nfs/dbraw/zinc/94/49/72/286944972.db2.gz ICSJPUNUYWMNKM-UHFFFAOYSA-N -1 3 277.323 3.475 20 0 CGADHM COc1cccc(C(=O)NCC[C@@H]2CCC[C@@H](C)C2)c1[O-] ZINC000070549590 286990017 /nfs/dbraw/zinc/99/00/17/286990017.db2.gz PGGRPCZFWXWGAU-OLZOCXBDSA-N -1 3 291.391 3.347 20 0 CGADHM Cc1nc(C)c(C(=O)[N-]c2c(F)cc(F)cc2F)s1 ZINC000072526381 286995729 /nfs/dbraw/zinc/99/57/29/286995729.db2.gz XNMQRDGMDSOEJK-UHFFFAOYSA-N -1 3 286.278 3.430 20 0 CGADHM CC[C@@]1(C)CCCN(C(=O)c2ccc(C)cc2[O-])C1 ZINC000075213286 287023122 /nfs/dbraw/zinc/02/31/22/287023122.db2.gz XWDBDKIRRXUMBL-INIZCTEOSA-N -1 3 261.365 3.353 20 0 CGADHM Cc1ccc2nc(-c3ccc(C)c(F)c3)[n-]c(=O)c2c1 ZINC000077257302 287038262 /nfs/dbraw/zinc/03/82/62/287038262.db2.gz GJFICXYNCAFHOS-UHFFFAOYSA-N -1 3 268.291 3.346 20 0 CGADHM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)Nc1ccc([O-])cc1Cl ZINC000087217566 287084758 /nfs/dbraw/zinc/08/47/58/287084758.db2.gz XCOSLPQBKPDTKE-LOKDSWTASA-N -1 3 283.755 3.044 20 0 CGADHM CO[C@@H](C(=O)Nc1cc(Cl)ccc1[O-])c1ccccc1 ZINC000067139157 165038088 /nfs/dbraw/zinc/03/80/88/165038088.db2.gz PLRRYFXGGIGUHA-CQSZACIVSA-N -1 3 291.734 3.372 20 0 CGADHM COc1cccc(C(=O)Nc2ccc(C)cc2[O-])c1F ZINC000090071045 287099570 /nfs/dbraw/zinc/09/95/70/287099570.db2.gz YTLQRDNWLGZCEG-UHFFFAOYSA-N -1 3 275.279 3.101 20 0 CGADHM Cn1ccc2ccc(NC(=O)c3cccc([O-])c3)cc21 ZINC000082282594 165168240 /nfs/dbraw/zinc/16/82/40/165168240.db2.gz WIFLUWNHQDXLQY-UHFFFAOYSA-N -1 3 266.300 3.136 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CCC[C@@H](C)[C@@H]2C)c1 ZINC000091743736 287109704 /nfs/dbraw/zinc/10/97/04/287109704.db2.gz YVYBMYUMNMSAFK-NEPJUHHUSA-N -1 3 261.365 3.215 20 0 CGADHM CCc1ccc([O-])c(C(=O)N(C)[C@@H](C)c2cccnc2)c1 ZINC000094067940 165343717 /nfs/dbraw/zinc/34/37/17/165343717.db2.gz ICFMVHQASKTSAP-LBPRGKRZSA-N -1 3 284.359 3.183 20 0 CGADHM COc1ccc(Cc2noc(-c3ccc(C)cc3[O-])n2)cc1 ZINC000109037797 287127551 /nfs/dbraw/zinc/12/75/51/287127551.db2.gz ZDSAMDFTFSRNRO-UHFFFAOYSA-N -1 3 296.326 3.350 20 0 CGADHM Cc1cccc(S(=O)(=O)[N-][C@H](C)c2cccs2)c1F ZINC000181185595 165675572 /nfs/dbraw/zinc/67/55/72/165675572.db2.gz YUVFYLASCRUVHV-SNVBAGLBSA-N -1 3 299.392 3.235 20 0 CGADHM COc1cccc(-c2nc(-c3ccc(F)cc3)no2)c1[O-] ZINC000111687816 287135976 /nfs/dbraw/zinc/13/59/76/287135976.db2.gz YBKJXXZRRFOFDE-UHFFFAOYSA-N -1 3 286.262 3.257 20 0 CGADHM COc1cccc(Cc2noc(-c3ccccc3[O-])n2)c1 ZINC000111688755 287136366 /nfs/dbraw/zinc/13/63/66/287136366.db2.gz PGHHDWHMQHXJNO-UHFFFAOYSA-N -1 3 282.299 3.042 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)Cc2ccccc2O)c1[O-] ZINC000116979956 287158676 /nfs/dbraw/zinc/15/86/76/287158676.db2.gz JUBCKFJBXKRQTG-UHFFFAOYSA-N -1 3 291.734 3.241 20 0 CGADHM COc1ccc([O-])c(C(=O)N2CCCCc3ccccc32)c1 ZINC000120657815 287184962 /nfs/dbraw/zinc/18/49/62/287184962.db2.gz OSZXRIYCDTTYIJ-UHFFFAOYSA-N -1 3 297.354 3.384 20 0 CGADHM CCCc1nnc([N-]C(=O)c2cc(F)cc(F)c2)s1 ZINC000007981194 170311378 /nfs/dbraw/zinc/31/13/78/170311378.db2.gz QUWQKVOYAGCJLV-UHFFFAOYSA-N -1 3 283.303 3.021 20 0 CGADHM CCOCCCC(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000125282459 287242012 /nfs/dbraw/zinc/24/20/12/287242012.db2.gz JWNWEMFORSVKKX-UHFFFAOYSA-N -1 3 291.269 3.166 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2ccc3c(c2)OCCCO3)c1 ZINC000020260164 171116696 /nfs/dbraw/zinc/11/66/96/171116696.db2.gz MWKNMXZHANKHME-UHFFFAOYSA-N -1 3 299.326 3.114 20 0 CGADHM Cc1ccc(C(=O)Nc2ccc3c(c2)OCCCO3)c([O-])c1 ZINC000020260168 171116951 /nfs/dbraw/zinc/11/69/51/171116951.db2.gz SXKUBXXVEVDAMU-UHFFFAOYSA-N -1 3 299.326 3.114 20 0 CGADHM CC(C)[C@H](C)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000021334956 171302668 /nfs/dbraw/zinc/30/26/68/171302668.db2.gz HWPWSMUNGLBOMS-VIFPVBQESA-N -1 3 295.326 3.028 20 0 CGADHM Cc1nc(NC(=O)c2ccc(C)cc2[O-])sc1C ZINC000029581652 171605182 /nfs/dbraw/zinc/60/51/82/171605182.db2.gz HQQOXKLIJFJGCG-UHFFFAOYSA-N -1 3 262.334 3.026 20 0 CGADHM COc1cccc(C(=O)N(C)C2CCCCCC2)c1[O-] ZINC000035175522 172028663 /nfs/dbraw/zinc/02/86/63/172028663.db2.gz KZMWLUOSPOAPIR-UHFFFAOYSA-N -1 3 277.364 3.196 20 0 CGADHM COc1ccc(C(=O)N2CCC[C@H]3CCCC[C@H]32)c([O-])c1 ZINC000035219415 172060743 /nfs/dbraw/zinc/06/07/43/172060743.db2.gz BNAXDSTWRPHUPU-IUODEOHRSA-N -1 3 289.375 3.196 20 0 CGADHM CC(=O)Nc1ccc(/C=C/C(=O)Nc2ccccc2[O-])cc1 ZINC000127479094 287288907 /nfs/dbraw/zinc/28/89/07/287288907.db2.gz XQVCPZWACDVEOI-DHZHZOJOSA-N -1 3 296.326 3.003 20 0 CGADHM Cc1ccc(C(=O)Nc2cccc([O-])c2F)c(C)c1 ZINC000128708382 287317001 /nfs/dbraw/zinc/31/70/01/287317001.db2.gz KBJDBNQGQIDCRQ-UHFFFAOYSA-N -1 3 259.280 3.400 20 0 CGADHM Cc1ccccc1CC(=O)Nc1cccc([O-])c1F ZINC000129011574 287322489 /nfs/dbraw/zinc/32/24/89/287322489.db2.gz SEMIHBRYZCRSPB-UHFFFAOYSA-N -1 3 259.280 3.021 20 0 CGADHM CCCCOc1ccccc1CN1CCC[C@H](C(=O)[O-])C1 ZINC000066115079 416487955 /nfs/dbraw/zinc/48/79/55/416487955.db2.gz MISHJPIKVJPHDI-HNNXBMFYSA-N -1 3 291.391 3.162 20 0 CGADHM C[C@H](c1ccc(Cl)cc1)N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000311409301 416531887 /nfs/dbraw/zinc/53/18/87/416531887.db2.gz YCRMGDNUFXSRRO-JTNHKYCSSA-N -1 3 281.783 3.444 20 0 CGADHM C[C@@H](c1ccc(Cl)cc1)N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000311409306 416532253 /nfs/dbraw/zinc/53/22/53/416532253.db2.gz YCRMGDNUFXSRRO-UHIISALHSA-N -1 3 281.783 3.444 20 0 CGADHM Cc1cncnc1-c1noc(-c2ccc(C(C)C)cc2[O-])n1 ZINC000680760246 543732042 /nfs/dbraw/zinc/73/20/42/543732042.db2.gz YCHJTOHELVOGGF-UHFFFAOYSA-N -1 3 296.330 3.331 20 0 CGADHM COCc1ccc(C(=O)[N-]c2ccc(F)c(F)c2F)o1 ZINC000680457680 543712072 /nfs/dbraw/zinc/71/20/72/543712072.db2.gz SLGCNCWIERGIEK-UHFFFAOYSA-N -1 3 285.221 3.096 20 0 CGADHM O=C(Cc1cc2ccccc2o1)Nc1ccc([O-])cc1F ZINC000681337592 543782202 /nfs/dbraw/zinc/78/22/02/543782202.db2.gz NHLHEVYQBVXSKO-UHFFFAOYSA-N -1 3 285.274 3.459 20 0 CGADHM CC(C)n1cccc1C(=O)Nc1cc(F)ccc1[O-] ZINC000132127753 287397500 /nfs/dbraw/zinc/39/75/00/287397500.db2.gz CQUOURPNCTZBAZ-UHFFFAOYSA-N -1 3 262.284 3.166 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N2CC[C@@H]2c2cccc(F)c2)n1 ZINC000684092782 543967017 /nfs/dbraw/zinc/96/70/17/543967017.db2.gz BCDSSONPCMTBPW-SMDDNHRTSA-N -1 3 287.338 3.138 20 0 CGADHM CC[C@H]1CCCCCN1C(=O)c1cc(C)ccc1[O-] ZINC000134719988 287452310 /nfs/dbraw/zinc/45/23/10/287452310.db2.gz NPWRDTHAHKZZHM-ZDUSSCGKSA-N -1 3 261.365 3.495 20 0 CGADHM CCc1oc(C(=O)[O-])cc1CN(C)[C@@H](C)C(C)(C)C ZINC000652394663 418960825 /nfs/dbraw/zinc/96/08/25/418960825.db2.gz ZPLPDQLUIJEGCN-JTQLQIEISA-N -1 3 267.369 3.407 20 0 CGADHM CCCN(C(=O)c1c[n-]c2c(C)cccc2c1=O)C(C)C ZINC000655407854 419048493 /nfs/dbraw/zinc/04/84/93/419048493.db2.gz HTNROOAKWWPWSW-UHFFFAOYSA-N -1 3 286.375 3.097 20 0 CGADHM O=C([O-])c1ccc2c(c1)CN([C@H]1CCc3ccccc31)C2 ZINC000659790738 418991218 /nfs/dbraw/zinc/99/12/18/418991218.db2.gz HVJSZIMHGUWVNB-KRWDZBQOSA-N -1 3 279.339 3.388 20 0 CGADHM CC(C)CC1(C)CCN(Cc2ncccc2C(=O)[O-])CC1 ZINC000659795803 418992639 /nfs/dbraw/zinc/99/26/39/418992639.db2.gz BRWUPXIWVHIOQU-UHFFFAOYSA-N -1 3 290.407 3.428 20 0 CGADHM CCc1cc(C(=O)N2CCC3(CC3(F)F)CC2)ccc1[O-] ZINC000652843903 418994631 /nfs/dbraw/zinc/99/46/31/418994631.db2.gz PYHLKGKAGZMOHV-UHFFFAOYSA-N -1 3 295.329 3.216 20 0 CGADHM O=C([O-])c1cnoc1CN1CCC[C@H](C2CCCCC2)C1 ZINC000659803933 418997096 /nfs/dbraw/zinc/99/70/96/418997096.db2.gz QSHOFDLXPQGDBK-ZDUSSCGKSA-N -1 3 292.379 3.165 20 0 CGADHM CSc1ccc([O-])c(C(=O)N(C)Cc2ccc(C)o2)c1 ZINC000665295323 419108608 /nfs/dbraw/zinc/10/86/08/419108608.db2.gz BZCDUFOHQGLXAJ-UHFFFAOYSA-N -1 3 291.372 3.288 20 0 CGADHM CC(C)(C)c1nc(CNC[C@@H](C(=O)[O-])C2CCC2)cs1 ZINC000665363020 419119949 /nfs/dbraw/zinc/11/99/49/419119949.db2.gz QQDXBBCYWFSTEB-GFCCVEGCSA-N -1 3 296.436 3.031 20 0 CGADHM C[C@@H](NCc1c(F)cccc1F)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656099136 419140282 /nfs/dbraw/zinc/14/02/82/419140282.db2.gz OITWAMKNECFWMS-ADEWGFFLSA-N -1 3 297.345 3.190 20 0 CGADHM Cc1cc(S(=O)(=O)[N-]C(C)(C)C(C)(F)F)c(C)s1 ZINC000656186560 419147311 /nfs/dbraw/zinc/14/73/11/419147311.db2.gz GXJJYKYIXANTEX-UHFFFAOYSA-N -1 3 297.392 3.077 20 0 CGADHM Cc1ccc(C(=O)N2CC[C@@H](C3CCC3)C2)c([O-])c1C ZINC000665679068 419148011 /nfs/dbraw/zinc/14/80/11/419148011.db2.gz HTYMXRMOXSAZGF-CQSZACIVSA-N -1 3 273.376 3.271 20 0 CGADHM O=C(c1cc([O-])ccc1Cl)N1CC[C@H](C2CCC2)C1 ZINC000665684647 419150987 /nfs/dbraw/zinc/15/09/87/419150987.db2.gz YAMUPIIWCBAUDZ-NSHDSACASA-N -1 3 279.767 3.308 20 0 CGADHM CCOc1ccc(CN[C@H](C(=O)[O-])c2ccccc2)c(C)c1 ZINC000656565832 419183355 /nfs/dbraw/zinc/18/33/55/419183355.db2.gz VOWORTOFQCGHPG-KRWDZBQOSA-N -1 3 299.370 3.309 20 0 CGADHM Cc1cccc(CCCNC(C)(C)c2nc(C)cc(=O)[n-]2)c1 ZINC000660751395 419189376 /nfs/dbraw/zinc/18/93/76/419189376.db2.gz MCUOOJGVGSEPPZ-UHFFFAOYSA-N -1 3 299.418 3.257 20 0 CGADHM Cc1cc(=O)[n-]c(C(C)(C)NCCC2=CCCCC2)n1 ZINC000660749149 419190154 /nfs/dbraw/zinc/19/01/54/419190154.db2.gz GGYZSKAXHOAMKR-UHFFFAOYSA-N -1 3 275.396 3.206 20 0 CGADHM O=C([O-])C[C@@H]1CCCCN1CCCc1c(F)cccc1F ZINC000655925945 419126410 /nfs/dbraw/zinc/12/64/10/419126410.db2.gz HEVXTFGLRKFUAD-LBPRGKRZSA-N -1 3 297.345 3.227 20 0 CGADHM O=C([O-])[C@@H](c1ccsc1)N1CCC(c2ccco2)CC1 ZINC000656756598 419209680 /nfs/dbraw/zinc/20/96/80/419209680.db2.gz GVLFZKHLEZFGMZ-CQSZACIVSA-N -1 3 291.372 3.346 20 0 CGADHM COc1cccc(CN2CCCC[C@H]2CC(=O)[O-])c1Cl ZINC000656756239 419210104 /nfs/dbraw/zinc/21/01/04/419210104.db2.gz JCXVNSFZMWJHPE-LBPRGKRZSA-N -1 3 297.782 3.178 20 0 CGADHM O=C([O-])[C@H](c1ccccc1F)N1CCC(C2CCC2)CC1 ZINC000656758325 419211408 /nfs/dbraw/zinc/21/14/08/419211408.db2.gz FRYZISLUODDJTK-INIZCTEOSA-N -1 3 291.366 3.464 20 0 CGADHM O=C([O-])CCCCN(Cc1ccccc1F)CC1CC1 ZINC000656765932 419211947 /nfs/dbraw/zinc/21/19/47/419211947.db2.gz PHKXQVZQRCMQMD-UHFFFAOYSA-N -1 3 279.355 3.293 20 0 CGADHM Cn1c(C[N-]c2nnc([C@@H]3CCCO3)o2)cc2ccccc21 ZINC000656772467 419215425 /nfs/dbraw/zinc/21/54/25/419215425.db2.gz QXRJFKSJRBWXFX-AWEZNQCLSA-N -1 3 298.346 3.025 20 0 CGADHM CC(=O)c1ccsc1[N-]C(=O)c1coc(C2CC2)n1 ZINC000661056494 419224283 /nfs/dbraw/zinc/22/42/83/419224283.db2.gz QRFSOBVOVNKRRL-UHFFFAOYSA-N -1 3 276.317 3.068 20 0 CGADHM CC[C@H](C)N(CC)Cc1nc(=O)c2sccc2[n-]1 ZINC000661106964 419229853 /nfs/dbraw/zinc/22/98/53/419229853.db2.gz KAVNVXMYZWVEBQ-VIFPVBQESA-N -1 3 265.382 3.017 20 0 CGADHM CCCCn1c(=O)[n-]nc1SCCC=C(C)C ZINC000657235009 419234517 /nfs/dbraw/zinc/23/45/17/419234517.db2.gz XYZMURIFOBQZCT-UHFFFAOYSA-N -1 3 255.387 3.232 20 0 CGADHM CCCCn1c(=O)[n-]nc1SCCC1CCC1 ZINC000657234625 419234585 /nfs/dbraw/zinc/23/45/85/419234585.db2.gz UCUJEDTZIBQZLD-UHFFFAOYSA-N -1 3 255.387 3.066 20 0 CGADHM C[C@@]1(CNCc2cccc([O-])c2Cl)CC1(F)F ZINC000657667753 419323760 /nfs/dbraw/zinc/32/37/60/419323760.db2.gz XZZNFDBPRMFKRP-NSHDSACASA-N -1 3 261.699 3.181 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N2CCCC(C)(C)CC2)n1 ZINC000192602230 228166455 /nfs/dbraw/zinc/16/64/55/228166455.db2.gz RGXGZROEFBLTQT-LBPRGKRZSA-N -1 3 263.385 3.064 20 0 CGADHM COc1cccc(CN2C[C@@H](C(=O)[O-])CC[C@@H]2C)c1Cl ZINC000662213225 419362285 /nfs/dbraw/zinc/36/22/85/419362285.db2.gz UQGVOOGKWQWXJC-JQWIXIFHSA-N -1 3 297.782 3.034 20 0 CGADHM CC12CC(C1)CN2Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000662382668 419424558 /nfs/dbraw/zinc/42/45/58/419424558.db2.gz PBWQJPSZFWKFHU-UHFFFAOYSA-N -1 3 295.342 3.066 20 0 CGADHM O=C(c1cc([O-])ccc1Cl)N1CCCC2(CC2)C1 ZINC000290795795 304499916 /nfs/dbraw/zinc/49/99/16/304499916.db2.gz SLANKIUFANRFFQ-UHFFFAOYSA-N -1 3 265.740 3.062 20 0 CGADHM CO[C@H](COc1ccc2c([O-])coc2c1)C1CCCCC1 ZINC000664136625 419838499 /nfs/dbraw/zinc/83/84/99/419838499.db2.gz UCRQBGGLHAPQIC-QGZVFWFLSA-N -1 3 290.359 3.236 20 0 CGADHM C[C@H](CCOCc1ccccc1)NC(=O)c1ccccc1[O-] ZINC000390409944 262189376 /nfs/dbraw/zinc/18/93/76/262189376.db2.gz DKCCQWYWIHPMKJ-CQSZACIVSA-N -1 3 299.370 3.117 20 0 CGADHM O=C([O-])c1ccc(CN[C@@H]2CCCc3c(O)cccc32)cc1 ZINC000414644439 263020057 /nfs/dbraw/zinc/02/00/57/263020057.db2.gz ZLDFOKDZGBKZAY-MRXNPFEDSA-N -1 3 297.354 3.258 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CCc3ccccc3[C@@H]2C)c1 ZINC000106682691 270049026 /nfs/dbraw/zinc/04/90/26/270049026.db2.gz WXBRFRVMCZCKFQ-ZDUSSCGKSA-N -1 3 281.355 3.460 20 0 CGADHM CCCN(C[C@H]1CCCCO1)C(=O)c1cccc(C)c1[O-] ZINC000106696414 270049243 /nfs/dbraw/zinc/04/92/43/270049243.db2.gz NEXYENKWUCCUAO-CQSZACIVSA-N -1 3 291.391 3.122 20 0 CGADHM CC[C@@]1(C)C[C@H]1C(=O)N1CCCc2cccc([O-])c21 ZINC000182911987 270054603 /nfs/dbraw/zinc/05/46/03/270054603.db2.gz PJKVXVXMLPMAOF-LRDDRELGSA-N -1 3 259.349 3.108 20 0 CGADHM Cc1cccc([O-])c1NC(=O)/C=C/c1ccnc(Cl)c1 ZINC000183016005 270054995 /nfs/dbraw/zinc/05/49/95/270054995.db2.gz QCBQMLQZZKNYCL-AATRIKPKSA-N -1 3 288.734 3.401 20 0 CGADHM Cc1ccc(/C=C/C(=O)Nc2ccc([O-])cc2F)cc1 ZINC000183245073 270055351 /nfs/dbraw/zinc/05/53/51/270055351.db2.gz IQXRTTFYLJFEBJ-RMKNXTFCSA-N -1 3 271.291 3.492 20 0 CGADHM CC(=O)c1cccc(NC(=O)[C@H]2CC23CCCC3)c1[O-] ZINC000519160887 265347349 /nfs/dbraw/zinc/34/73/49/265347349.db2.gz XNYIRWCIOWJIHY-GFCCVEGCSA-N -1 3 273.332 3.114 20 0 CGADHM Cc1ccc(NC(=O)[C@@H]2COc3cc(C)c(C)cc32)c([O-])c1 ZINC000184740311 270059948 /nfs/dbraw/zinc/05/99/48/270059948.db2.gz DAFAAVAHIONKDK-CQSZACIVSA-N -1 3 297.354 3.432 20 0 CGADHM [O-]c1cc(F)cc(CNCc2cc(F)cc(F)c2)c1 ZINC000185456887 270062768 /nfs/dbraw/zinc/06/27/68/270062768.db2.gz FDDUZYJTAUIUJG-UHFFFAOYSA-N -1 3 267.250 3.099 20 0 CGADHM CCc1ccccc1S(=O)(=O)[N-]c1cc(C)ccc1F ZINC000187183515 270067769 /nfs/dbraw/zinc/06/77/69/270067769.db2.gz COPMRHZAUXYMMA-UHFFFAOYSA-N -1 3 293.363 3.497 20 0 CGADHM CSCCCN(C)c1c(C(=O)[O-])cnc2ccccc21 ZINC000312460184 270092450 /nfs/dbraw/zinc/09/24/50/270092450.db2.gz SMTPUYZFULUFJH-UHFFFAOYSA-N -1 3 290.388 3.122 20 0 CGADHM C[C@@H]1CN(Cc2cccc([O-])c2Br)C[C@H]1C ZINC000316202462 270092666 /nfs/dbraw/zinc/09/26/66/270092666.db2.gz VEGDRZHQWLHKLR-NXEZZACHSA-N -1 3 284.197 3.243 20 0 CGADHM Cc1ccc(NC(=O)[C@H]2CCCCC2(F)F)c([O-])c1 ZINC000327634824 270094952 /nfs/dbraw/zinc/09/49/52/270094952.db2.gz PZNXAIKPSULGKR-SNVBAGLBSA-N -1 3 269.291 3.465 20 0 CGADHM CC[C@@H](Cc1ccccc1)N(C)Cc1cc(C(=O)[O-])co1 ZINC000517575542 270097494 /nfs/dbraw/zinc/09/74/94/270097494.db2.gz GZCFNBWHBJUCPX-HNNXBMFYSA-N -1 3 287.359 3.431 20 0 CGADHM CC(C)Sc1c(Cl)cccc1[N-]S(C)(=O)=O ZINC000525012048 270116583 /nfs/dbraw/zinc/11/65/83/270116583.db2.gz RGMPTRVTTISSPQ-UHFFFAOYSA-N -1 3 279.814 3.212 20 0 CGADHM CC1CCC(OCC(=O)Nc2cccc([O-])c2F)CC1 ZINC000526009884 270122391 /nfs/dbraw/zinc/12/23/91/270122391.db2.gz XGQCCKDSZAGMQW-UHFFFAOYSA-N -1 3 281.327 3.065 20 0 CGADHM Cc1cc(NC(=O)c2cccc3nn[n-]c32)ccc1C1CC1 ZINC000527115230 270125881 /nfs/dbraw/zinc/12/58/81/270125881.db2.gz RSYVRQOIDURVRF-UHFFFAOYSA-N -1 3 292.342 3.396 20 0 CGADHM Cc1cc(NC(=O)c2cccc3[n-]nnc32)ccc1C1CC1 ZINC000527115230 270125882 /nfs/dbraw/zinc/12/58/82/270125882.db2.gz RSYVRQOIDURVRF-UHFFFAOYSA-N -1 3 292.342 3.396 20 0 CGADHM Cc1cc(NC(=O)c2cccc3n[n-]nc32)ccc1C1CC1 ZINC000527115230 270125883 /nfs/dbraw/zinc/12/58/83/270125883.db2.gz RSYVRQOIDURVRF-UHFFFAOYSA-N -1 3 292.342 3.396 20 0 CGADHM CCCCN(C)C(=O)c1cc([O-])cc(Br)c1 ZINC000527810091 270137513 /nfs/dbraw/zinc/13/75/13/270137513.db2.gz UTGGRQBBGNUJMD-UHFFFAOYSA-N -1 3 286.169 3.027 20 0 CGADHM CCc1cccc(-c2nc([C@@H]3CC[C@H](C)O3)no2)c1[O-] ZINC000528235693 270159145 /nfs/dbraw/zinc/15/91/45/270159145.db2.gz LBQWEUHKEXQLBM-CABZTGNLSA-N -1 3 274.320 3.245 20 0 CGADHM CCc1oc2ccccc2c1CC(=O)[N-]OC1CCC1 ZINC000529445765 270181154 /nfs/dbraw/zinc/18/11/54/270181154.db2.gz PZJZYJJKNXSBRF-UHFFFAOYSA-N -1 3 273.332 3.138 20 0 CGADHM C[C@@H]1CCC[C@H](CCN2CCc3occc3[C@H]2C(=O)[O-])C1 ZINC000530167721 270195331 /nfs/dbraw/zinc/19/53/31/270195331.db2.gz YXYCDKKEKKPXCS-IOASZLSFSA-N -1 3 291.391 3.480 20 0 CGADHM CC(C)(C)CCCN1CCc2occc2[C@@H]1C(=O)[O-] ZINC000530165348 270195508 /nfs/dbraw/zinc/19/55/08/270195508.db2.gz FXAAARYWYUJLAU-CYBMUJFWSA-N -1 3 265.353 3.090 20 0 CGADHM O=C([O-])c1ccc(CN[C@@H](c2ccccn2)C2CCC2)cc1 ZINC000530252205 270197767 /nfs/dbraw/zinc/19/77/67/270197767.db2.gz KGZCMBJPHHXTRI-QGZVFWFLSA-N -1 3 296.370 3.411 20 0 CGADHM Cc1ccc(CC(=O)Nc2cc(F)ccc2[O-])cc1C ZINC000530658458 270201724 /nfs/dbraw/zinc/20/17/24/270201724.db2.gz SKLKSFKRUXMGEK-UHFFFAOYSA-N -1 3 273.307 3.329 20 0 CGADHM C[C@@H]1CN(C(=O)/C=C\c2cncc([O-])c2)[C@@H]1c1ccccc1 ZINC000255414057 287866254 /nfs/dbraw/zinc/86/62/54/287866254.db2.gz ZKZOFADOVYRLRC-FIORAYAUSA-N -1 3 294.354 3.020 20 0 CGADHM C[C@@H](c1cccs1)N(C)C(=O)/C=C\c1cncc([O-])c1 ZINC000255624684 287874933 /nfs/dbraw/zinc/87/49/33/287874933.db2.gz SEMATCXEHRIMTB-GZTOBOFZSA-N -1 3 288.372 3.082 20 0 CGADHM CC(=O)c1ccc(C(=O)N2CC[C@H](C)C[C@H](C)C2)cc1[O-] ZINC000408463830 277108583 /nfs/dbraw/zinc/10/85/83/277108583.db2.gz DUMZEBFWLMCGNL-RYUDHWBXSA-N -1 3 289.375 3.103 20 0 CGADHM CN1CCc2ccc(-c3nc(-c4ccc([O-])cc4)no3)cc21 ZINC000437000825 277187438 /nfs/dbraw/zinc/18/74/38/277187438.db2.gz OHSYAUOCOWBODK-UHFFFAOYSA-N -1 3 293.326 3.102 20 0 CGADHM COC1(CC(=O)N2CC[C@@H](C)c3cccc([O-])c32)CCC1 ZINC000277021570 277464370 /nfs/dbraw/zinc/46/43/70/277464370.db2.gz JTLAMKWZDBYGDW-GFCCVEGCSA-N -1 3 289.375 3.192 20 0 CGADHM CC(C)N(C(=O)/C=C\c1cncc([O-])c1)C1CC(C)(C)C1 ZINC000493066446 277521731 /nfs/dbraw/zinc/52/17/31/277521731.db2.gz SSPBKHSZHIUWNH-WAYWQWQTSA-N -1 3 288.391 3.226 20 0 CGADHM CC[C@H](C)[C@H](OC)C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000356526558 287974516 /nfs/dbraw/zinc/97/45/16/287974516.db2.gz DPAAWTBYDZRRNF-SDBXPKJASA-N -1 3 285.771 3.354 20 0 CGADHM C[C@@H](C(=O)N1CC[C@@H](C)c2cccc([O-])c21)c1cccnc1 ZINC000186320857 278195485 /nfs/dbraw/zinc/19/54/85/278195485.db2.gz FGAYWTRUFJVNOM-CHWSQXEVSA-N -1 3 296.370 3.431 20 0 CGADHM C[C@H](CNC(=O)c1cc([O-])ccc1Cl)CC(F)(F)F ZINC000397053392 288020733 /nfs/dbraw/zinc/02/07/33/288020733.db2.gz VPNHPJZAPDMKDN-ZETCQYMHSA-N -1 3 295.688 3.364 20 0 CGADHM CC(=O)[C@H](C)CCCCC(=O)Nc1c(C)cccc1[O-] ZINC000183028898 278233984 /nfs/dbraw/zinc/23/39/84/278233984.db2.gz OZKIZOGGGZDZNK-LLVKDONJSA-N -1 3 277.364 3.425 20 0 CGADHM C[C@H]1CCN(C(=O)[C@H]2C[C@@H]2C(F)F)c2c([O-])cccc21 ZINC000513823661 278361779 /nfs/dbraw/zinc/36/17/79/278361779.db2.gz YFKBDTKKUQIWEI-LSJOCFKGSA-N -1 3 281.302 3.134 20 0 CGADHM CCN(CC)[C@H](C(=O)Nc1ccccc1[O-])c1ccccc1 ZINC000340100323 279154617 /nfs/dbraw/zinc/15/46/17/279154617.db2.gz BJSIYTLKFQGSOB-KRWDZBQOSA-N -1 3 298.386 3.414 20 0 CGADHM CSc1cccc(NC(=O)c2cccc3nn[n-]c32)c1C ZINC000526120410 288150515 /nfs/dbraw/zinc/15/05/15/288150515.db2.gz BCNIKWMSNHRNMY-UHFFFAOYSA-N -1 3 298.371 3.241 20 0 CGADHM CSc1cccc(NC(=O)c2cccc3[n-]nnc32)c1C ZINC000526120410 288150518 /nfs/dbraw/zinc/15/05/18/288150518.db2.gz BCNIKWMSNHRNMY-UHFFFAOYSA-N -1 3 298.371 3.241 20 0 CGADHM CSc1cccc(NC(=O)c2cccc3n[n-]nc32)c1C ZINC000526120410 288150522 /nfs/dbraw/zinc/15/05/22/288150522.db2.gz BCNIKWMSNHRNMY-UHFFFAOYSA-N -1 3 298.371 3.241 20 0 CGADHM CCC[C@H]1CCCC[C@@H]1NC(=O)c1ccc([O-])c(OC)c1 ZINC000527487407 288172022 /nfs/dbraw/zinc/17/20/22/288172022.db2.gz YIYTULLALAYVIQ-JSGCOSHPSA-N -1 3 291.391 3.490 20 0 CGADHM O=C([C@@H]1CC[C@@H]2C[C@@H]2C1)N1CCCc2cccc([O-])c21 ZINC000403857010 280098419 /nfs/dbraw/zinc/09/84/19/280098419.db2.gz VBPNSJNZSLVSMW-MGPQQGTHSA-N -1 3 271.360 3.108 20 0 CGADHM CC[C@@H](NC(=O)c1c[n-]c2ccccc2c1=O)C(C)(C)C ZINC000357475298 280181601 /nfs/dbraw/zinc/18/16/01/280181601.db2.gz NBQGHRHFWVCTNB-CQSZACIVSA-N -1 3 286.375 3.083 20 0 CGADHM Cc1[nH]ccc1C(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000186272490 280186456 /nfs/dbraw/zinc/18/64/56/280186456.db2.gz DCMAGDGIJCUWCF-JTQLQIEISA-N -1 3 270.332 3.183 20 0 CGADHM Cc1cccc2cc(C(=O)[N-]c3nncs3)sc21 ZINC000361146872 281315425 /nfs/dbraw/zinc/31/54/25/281315425.db2.gz LQVLGXVKGCKQAA-UHFFFAOYSA-N -1 3 275.358 3.314 20 0 CGADHM CCc1ccc(C(=O)N2CCCC[C@@H]2c2ncc[nH]2)c([O-])c1 ZINC000190694916 281394930 /nfs/dbraw/zinc/39/49/30/281394930.db2.gz OZTHVLCCWNWGMP-CQSZACIVSA-N -1 3 299.374 3.045 20 0 CGADHM Cc1ccoc1C(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000186266429 281497635 /nfs/dbraw/zinc/49/76/35/281497635.db2.gz NASMLMJBGOILFI-JTQLQIEISA-N -1 3 271.316 3.448 20 0 CGADHM CC[C@H]1c2ccsc2CCN1CCCCC(=O)[O-] ZINC000181546920 288381498 /nfs/dbraw/zinc/38/14/98/288381498.db2.gz GSCSYTWJEQFJGO-LBPRGKRZSA-N -1 3 267.394 3.312 20 0 CGADHM CCc1ccc(C(=O)N2C[C@@H](C3CC3)[C@@H]2C2CC2)c([O-])c1 ZINC000456257268 288532970 /nfs/dbraw/zinc/53/29/70/288532970.db2.gz QODNXWYOUAHEDV-RDJZCZTQSA-N -1 3 285.387 3.215 20 0 CGADHM CCc1cccc(C(=O)N2CCN(C)c3ccccc32)c1[O-] ZINC000537640182 288541509 /nfs/dbraw/zinc/54/15/09/288541509.db2.gz GVTAIIXBEZSYEV-UHFFFAOYSA-N -1 3 296.370 3.051 20 0 CGADHM CCc1cccc(C(=O)Nc2ccnn2CC(C)C)c1[O-] ZINC000537687396 288543913 /nfs/dbraw/zinc/54/39/13/288543913.db2.gz FAVOCEACMCWSBM-UHFFFAOYSA-N -1 3 287.363 3.059 20 0 CGADHM Cc1cccc([O-])c1NC(=O)C[C@H](C)n1cccc1 ZINC000538715811 288583455 /nfs/dbraw/zinc/58/34/55/288583455.db2.gz YRKAVISFGLIEQG-LBPRGKRZSA-N -1 3 258.321 3.092 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CC[C@@H](CC(C)C)C2)c1 ZINC000539872617 288636245 /nfs/dbraw/zinc/63/62/45/288636245.db2.gz OTXOPFAKJIZVBQ-AWEZNQCLSA-N -1 3 275.392 3.463 20 0 CGADHM C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)c1ccccc1[O-] ZINC000436721786 288818824 /nfs/dbraw/zinc/81/88/24/288818824.db2.gz XZTNYJOTZUICKY-BDJLRTHQSA-N -1 3 267.328 3.056 20 0 CGADHM COc1cc(C)ccc1C(=O)Nc1cc(F)ccc1[O-] ZINC000548377582 289002222 /nfs/dbraw/zinc/00/22/22/289002222.db2.gz TUXPNSMZVRASIG-UHFFFAOYSA-N -1 3 275.279 3.101 20 0 CGADHM CCc1cc(C(=O)NC[C@@H]2CC=CCC2)ccc1[O-] ZINC000553062596 289207175 /nfs/dbraw/zinc/20/71/75/289207175.db2.gz ZQIINGIGMMWTIJ-GFCCVEGCSA-N -1 3 259.349 3.041 20 0 CGADHM CC[C@H](CC(=O)N=c1cc2ccccn2[n-]1)c1ccccc1 ZINC000553324939 289219293 /nfs/dbraw/zinc/21/92/93/289219293.db2.gz RPCROGIEVMRFEC-CQSZACIVSA-N -1 3 293.370 3.279 20 0 CGADHM CCc1coc([N-]C(=O)c2cc(-c3ccc(C)cc3)no2)n1 ZINC000555599377 289351909 /nfs/dbraw/zinc/35/19/09/289351909.db2.gz LWWKOBUNTZYISV-UHFFFAOYSA-N -1 3 297.314 3.453 20 0 CGADHM Cc1nc(CNC[C@H]2C(C)=CCC[C@@H]2C)sc1C(=O)[O-] ZINC000555614435 289352781 /nfs/dbraw/zinc/35/27/81/289352781.db2.gz GKLTVDOAFCSWOK-JQWIXIFHSA-N -1 3 294.420 3.232 20 0 CGADHM CC(C)OC1CCN(Cc2c(F)ccc([O-])c2F)CC1 ZINC000556800760 289409395 /nfs/dbraw/zinc/40/93/95/289409395.db2.gz IROWOTGHWBGZCU-UHFFFAOYSA-N -1 3 285.334 3.060 20 0 CGADHM CC(C)COCCC(=O)Nc1c([O-])cccc1Cl ZINC000560821705 289617516 /nfs/dbraw/zinc/61/75/16/289617516.db2.gz OBHJFEHXMNUXMB-UHFFFAOYSA-N -1 3 271.744 3.047 20 0 CGADHM Cc1ccc(C(=O)N2CC(C)(C)[C@@H]2c2cccnc2)c([O-])c1 ZINC000561010866 289622208 /nfs/dbraw/zinc/62/22/08/289622208.db2.gz NZYNFXSTWSHBEQ-INIZCTEOSA-N -1 3 296.370 3.319 20 0 CGADHM Cc1ccc(C(=O)N2CCC(F)(F)[C@H](C)C2)c([O-])c1C ZINC000290830593 301496953 /nfs/dbraw/zinc/49/69/53/301496953.db2.gz GOXWWLHQLSYQQU-SNVBAGLBSA-N -1 3 283.318 3.126 20 0 CGADHM Cc1cccc2c(=O)c(C(=O)N3C[C@@H](C)CC3(C)C)c[n-]c12 ZINC000332019764 302052389 /nfs/dbraw/zinc/05/23/89/302052389.db2.gz SDCDHEXEXFPQTR-NSHDSACASA-N -1 3 298.386 3.097 20 0 CGADHM CC[C@@H]1CCCN1C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436549593 529300716 /nfs/dbraw/zinc/30/07/16/529300716.db2.gz XRIMYEUVNFXXJV-CQSZACIVSA-N -1 3 273.376 3.286 20 0 CGADHM COc1ccc(CN[C@H](C)[C@H](C(=O)[O-])C(C)C)c(Cl)c1 ZINC000424612543 533697233 /nfs/dbraw/zinc/69/72/33/533697233.db2.gz AGLGGPQBECBDFW-QMTHXVAHSA-N -1 3 299.798 3.184 20 0 CGADHM CCC[C@@H]1CCCN(C(=O)c2cccc(C)c2[O-])C1 ZINC000154989288 321754808 /nfs/dbraw/zinc/75/48/08/321754808.db2.gz COTVGJAMYMTDSA-CYBMUJFWSA-N -1 3 261.365 3.353 20 0 CGADHM Cc1nc(-c2ccccc2)oc1C(=O)Nc1ncccc1[O-] ZINC000155024162 321755387 /nfs/dbraw/zinc/75/53/87/321755387.db2.gz QDMHUPIZCRIQKV-UHFFFAOYSA-N -1 3 295.298 3.003 20 0 CGADHM O=C(NC[C@@H]1CC[C@H]2C[C@H]2C1)c1cc([O-])ccc1Cl ZINC000403592393 321970420 /nfs/dbraw/zinc/97/04/20/321970420.db2.gz FESKTMIPSFIIGJ-OUAUKWLOSA-N -1 3 279.767 3.212 20 0 CGADHM O=C(C[C@H](c1ccc(O)cc1)C1CC1)Nc1ncccc1[O-] ZINC000563192252 321983159 /nfs/dbraw/zinc/98/31/59/321983159.db2.gz FHDFPZXIKYQOGB-AWEZNQCLSA-N -1 3 298.342 3.015 20 0 CGADHM COc1cccc2c1n[n-]c2C(=O)Nc1cc(C)ccc1C ZINC000564191088 322022505 /nfs/dbraw/zinc/02/25/05/322022505.db2.gz RLUBPOCDXXCRGT-UHFFFAOYSA-N -1 3 295.342 3.441 20 0 CGADHM COc1cccc2c(C(=O)Nc3cc(C)ccc3C)n[n-]c21 ZINC000564191088 322022508 /nfs/dbraw/zinc/02/25/08/322022508.db2.gz RLUBPOCDXXCRGT-UHFFFAOYSA-N -1 3 295.342 3.441 20 0 CGADHM C[C@H](NCc1csc(-c2cccs2)n1)[C@H](C)C(=O)[O-] ZINC000565103303 322060499 /nfs/dbraw/zinc/06/04/99/322060499.db2.gz JPIGLTBECOQSGC-IUCAKERBSA-N -1 3 296.417 3.070 20 0 CGADHM C[C@@H](NCc1csc(-c2cccs2)n1)[C@H](C)C(=O)[O-] ZINC000565103302 322060600 /nfs/dbraw/zinc/06/06/00/322060600.db2.gz JPIGLTBECOQSGC-DTWKUNHWSA-N -1 3 296.417 3.070 20 0 CGADHM [O-]c1cccnc1CSc1nnc(-c2cccs2)o1 ZINC000565356928 322074636 /nfs/dbraw/zinc/07/46/36/322074636.db2.gz ORSFSVZSVLJOJT-UHFFFAOYSA-N -1 3 291.357 3.191 20 0 CGADHM C[C@@H](NCc1ccc(C(=O)[O-])o1)[C@@H](C)c1ccccc1 ZINC000565365889 322074854 /nfs/dbraw/zinc/07/48/54/322074854.db2.gz JOOQYPMZVUDOAR-VXGBXAGGSA-N -1 3 273.332 3.260 20 0 CGADHM Cc1oc(CN(C(C)C)C2CCC2)cc1C(=O)[O-] ZINC000565662976 322086089 /nfs/dbraw/zinc/08/60/89/322086089.db2.gz UPNDMLXHMQSXAJ-UHFFFAOYSA-N -1 3 251.326 3.049 20 0 CGADHM CC(C)[C@@H]1CN(Cc2ccsc2C(=O)[O-])CCS1 ZINC000566015333 322101021 /nfs/dbraw/zinc/10/10/21/322101021.db2.gz RQLNPEMOWSUXJI-NSHDSACASA-N -1 3 285.434 3.020 20 0 CGADHM CC(C)(C)c1ccc(C(=O)Nc2cccc([O-])c2F)nc1 ZINC000567041061 322147805 /nfs/dbraw/zinc/14/78/05/322147805.db2.gz SKHYPIREYMXERC-UHFFFAOYSA-N -1 3 288.322 3.476 20 0 CGADHM Cc1ccc2nccc(N3CCC4(C[C@H]4C(=O)[O-])CC3)c2c1 ZINC000567984588 322186662 /nfs/dbraw/zinc/18/66/62/322186662.db2.gz UBSGCAOTIAHTCE-AWEZNQCLSA-N -1 3 296.370 3.234 20 0 CGADHM CN(Cc1ccc(C(=O)[O-])o1)[C@H]1CCCc2ccccc21 ZINC000568061392 322190491 /nfs/dbraw/zinc/19/04/91/322190491.db2.gz DWXSQLBJXLAMRG-HNNXBMFYSA-N -1 3 285.343 3.487 20 0 CGADHM CCC[C@@]1(C)CCCN(Cc2ccc(C(=O)[O-])o2)C1 ZINC000568062517 322191042 /nfs/dbraw/zinc/19/10/42/322191042.db2.gz FZHRXGDITYIJTD-HNNXBMFYSA-N -1 3 265.353 3.380 20 0 CGADHM Cc1onc(C2CC2)c1C(=O)[N-]c1nnc(C(C)C)s1 ZINC000570129067 322265376 /nfs/dbraw/zinc/26/53/76/322265376.db2.gz GJDVASATRAEHTF-UHFFFAOYSA-N -1 3 292.364 3.088 20 0 CGADHM CN(C)c1cccc([C@H]2CCCN2Cc2ncccc2[O-])c1 ZINC000570556463 322276566 /nfs/dbraw/zinc/27/65/66/322276566.db2.gz KLRULHMHCNVRIX-QGZVFWFLSA-N -1 3 297.402 3.190 20 0 CGADHM C[C@@H](c1ccco1)N(C)Cc1ccccc1C(=O)[O-] ZINC000570575078 322276999 /nfs/dbraw/zinc/27/69/99/322276999.db2.gz IZRUNEKUBOVACX-NSHDSACASA-N -1 3 259.305 3.171 20 0 CGADHM C[C@@H](NC(=O)c1c[n-]nc1-c1ccccn1)C1CCCCC1 ZINC000571576414 322302199 /nfs/dbraw/zinc/30/21/99/322302199.db2.gz YZUWDZPHEDPVFU-GFCCVEGCSA-N -1 3 298.390 3.170 20 0 CGADHM Cc1nc(C)c([C@H](C)N(C)Cc2ncccc2[O-])s1 ZINC000571686267 322305452 /nfs/dbraw/zinc/30/54/52/322305452.db2.gz DGAYWCUHXDAKQX-JTQLQIEISA-N -1 3 277.393 3.054 20 0 CGADHM CC(C)c1noc(C(=O)[N-]c2ccc(Cl)c(F)c2)n1 ZINC000571844589 322308991 /nfs/dbraw/zinc/30/89/91/322308991.db2.gz OJSDHAOGBUARTK-UHFFFAOYSA-N -1 3 283.690 3.238 20 0 CGADHM Cc1oc([C@@H](C)N2CC[C@@H](OCC(C)C)C2)cc1C(=O)[O-] ZINC000572168663 322323344 /nfs/dbraw/zinc/32/33/44/322323344.db2.gz GUQAMVHYBFDQMK-DGCLKSJQSA-N -1 3 295.379 3.094 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)C2=CC[C@H](C)CC2)c1-c1ccccc1 ZINC000572965874 322363421 /nfs/dbraw/zinc/36/34/21/322363421.db2.gz ZZSSHLJUXCZIGN-LBPRGKRZSA-N -1 3 295.386 3.492 20 0 CGADHM CCc1ccc([O-])c(-c2nc([C@H](OC)C(C)C)no2)c1 ZINC000573407901 322386518 /nfs/dbraw/zinc/38/65/18/322386518.db2.gz BHSKLUBSRVUVGF-CYBMUJFWSA-N -1 3 276.336 3.348 20 0 CGADHM CC(=O)c1cccc(NC(=O)[C@@]2(C)CCC[C@@H]2C)c1[O-] ZINC000573492435 322390590 /nfs/dbraw/zinc/39/05/90/322390590.db2.gz FHLHEMYTNZIUNX-QFYYESIMSA-N -1 3 275.348 3.360 20 0 CGADHM O=C([O-])CC1(CN2CC[C@H](c3c(F)cccc3F)C2)CC1 ZINC000583446012 327371613 /nfs/dbraw/zinc/37/16/13/327371613.db2.gz KVXMLWBXNFQDJU-NSHDSACASA-N -1 3 295.329 3.009 20 0 CGADHM Cc1csc(CNC(=O)c2cccc(C)c2[O-])c1 ZINC000379251699 328797881 /nfs/dbraw/zinc/79/78/81/328797881.db2.gz CLEINQXURGZION-UHFFFAOYSA-N -1 3 261.346 3.001 20 0 CGADHM CCCN(CC)Cc1cccc(C(=O)[O-])c1Cl ZINC000394499215 329124135 /nfs/dbraw/zinc/12/41/35/329124135.db2.gz LDZWJBBPAPQYGT-UHFFFAOYSA-N -1 3 255.745 3.270 20 0 CGADHM COCC1(C)CCN(Cc2cc(C(=O)[O-])sc2C)CC1 ZINC000580719917 329223242 /nfs/dbraw/zinc/22/32/42/329223242.db2.gz DPMYRHMSQPVHSY-UHFFFAOYSA-N -1 3 297.420 3.003 20 0 CGADHM CC(C)(C)c1ccc(NC(=O)c2n[nH]c3c2CCC3)c([O-])c1 ZINC000582971152 329296325 /nfs/dbraw/zinc/29/63/25/329296325.db2.gz WUJMWNTXZXGBMR-UHFFFAOYSA-N -1 3 299.374 3.154 20 0 CGADHM O=C(Cc1ccccc1F)Nc1c([O-])cccc1Cl ZINC000584546432 329517022 /nfs/dbraw/zinc/51/70/22/329517022.db2.gz YOCFHSHDPBYZGW-UHFFFAOYSA-N -1 3 279.698 3.366 20 0 CGADHM Cc1cccc(O[C@H](C)C(=O)Nc2cc(F)ccc2[O-])c1 ZINC000174872265 335167909 /nfs/dbraw/zinc/16/79/09/335167909.db2.gz WQVILGGMMRSIAV-LLVKDONJSA-N -1 3 289.306 3.246 20 0 CGADHM O=C(COc1ccccc1Cl)Nc1cc(F)ccc1[O-] ZINC000174875376 335168364 /nfs/dbraw/zinc/16/83/64/335168364.db2.gz ZOAKKZDHNIESGV-UHFFFAOYSA-N -1 3 295.697 3.202 20 0 CGADHM CCOc1c(F)cccc1C(=O)Nc1cc(F)ccc1[O-] ZINC000174906373 335169225 /nfs/dbraw/zinc/16/92/25/335169225.db2.gz FGKWHSPWYSJUSW-UHFFFAOYSA-N -1 3 293.269 3.321 20 0 CGADHM CC(C)[C@H](C)C(=O)Nc1cc(Br)ccc1[O-] ZINC000176190101 335248057 /nfs/dbraw/zinc/24/80/57/335248057.db2.gz AJPAZDCSNHJYFJ-QMMMGPOBSA-N -1 3 286.169 3.385 20 0 CGADHM CC(=O)c1cccc(NC(=O)[C@@]2(C)CC=CCC2)c1[O-] ZINC000576825445 335252764 /nfs/dbraw/zinc/25/27/64/335252764.db2.gz HEXJTUFYOWZJKX-INIZCTEOSA-N -1 3 273.332 3.280 20 0 CGADHM Cc1oc([C@H](C)N2CCCCCC2)cc1C(=O)[O-] ZINC000576830591 335253368 /nfs/dbraw/zinc/25/33/68/335253368.db2.gz VSJZQYLCUWRQRM-JTQLQIEISA-N -1 3 251.326 3.223 20 0 CGADHM O=[S@@](Cc1nc(C2CC2)cs1)c1ccc([O-])cc1 ZINC000577022186 335283139 /nfs/dbraw/zinc/28/31/39/335283139.db2.gz QCHVROXXIXRLFF-SFHVURJKSA-N -1 3 279.386 3.034 20 0 CGADHM CCCn1c2ccccc2nc1NC(=O)c1cccc([O-])c1 ZINC000192865301 335317618 /nfs/dbraw/zinc/31/76/18/335317618.db2.gz YAYYAHLFOLRQRJ-UHFFFAOYSA-N -1 3 295.342 3.404 20 0 CGADHM CN(CCCc1ccccc1)Cc1ccc(C(=O)[O-])o1 ZINC000577617480 335378869 /nfs/dbraw/zinc/37/88/69/335378869.db2.gz ALKZIPOTPYCJCT-UHFFFAOYSA-N -1 3 273.332 3.042 20 0 CGADHM C[C@H]1CCC[C@@H](C(=O)Nc2cc(F)ccc2[O-])C1 ZINC000178326336 335426425 /nfs/dbraw/zinc/42/64/25/335426425.db2.gz DZHNDUIEGNJECI-VHSXEESVSA-N -1 3 251.301 3.296 20 0 CGADHM COc1cccc(-c2nc(-c3ccc(C)o3)no2)c1[O-] ZINC000350792700 335533845 /nfs/dbraw/zinc/53/38/45/335533845.db2.gz ITMMPNGJWNLHRO-UHFFFAOYSA-N -1 3 272.260 3.019 20 0 CGADHM CCC[C@H](CC)S(=O)(=O)[N-]c1cccc(F)c1F ZINC000578481730 335639366 /nfs/dbraw/zinc/63/93/66/335639366.db2.gz UKCDOSKRIQAMFQ-VIFPVBQESA-N -1 3 277.336 3.285 20 0 CGADHM CCCC[C@@H](CCC)CNC(=O)Cc1cncc([O-])c1 ZINC000578905355 335688294 /nfs/dbraw/zinc/68/82/94/335688294.db2.gz BYXIGWWCZSDBJK-CYBMUJFWSA-N -1 3 278.396 3.052 20 0 CGADHM CC(C)c1cc(C(=O)Nc2cc(F)ccc2[O-])cc(=O)[nH]1 ZINC000181912478 335790563 /nfs/dbraw/zinc/79/05/63/335790563.db2.gz ACNJVAPAPXDCHR-UHFFFAOYSA-N -1 3 290.294 3.008 20 0 CGADHM CCn1c2ccc(F)cc2nc1NC(=O)c1cccc([O-])c1 ZINC000184062972 335916616 /nfs/dbraw/zinc/91/66/16/335916616.db2.gz KZGLRVWSLRAMLK-UHFFFAOYSA-N -1 3 299.305 3.153 20 0 CGADHM COc1ccc([O-])c(C(=O)N(C)[C@H](C)c2ccccc2)c1 ZINC000194104600 336001774 /nfs/dbraw/zinc/00/17/74/336001774.db2.gz XFCYSLFMXKTZIP-GFCCVEGCSA-N -1 3 285.343 3.234 20 0 CGADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@H]3CC34CC4)nc2)n1 ZINC000581181424 336020274 /nfs/dbraw/zinc/02/02/74/336020274.db2.gz VOTCKYQITMOBDT-GFCCVEGCSA-N -1 3 296.374 3.019 20 0 CGADHM CN(Cc1cccc(C(=O)[O-])c1Cl)C1CCC1 ZINC000381664821 336070064 /nfs/dbraw/zinc/07/00/64/336070064.db2.gz KHJUJGNKTCCISQ-UHFFFAOYSA-N -1 3 253.729 3.023 20 0 CGADHM C[C@@H]1CCCN(Cc2csc(C(=O)[O-])c2)[C@@H]1C ZINC000581553164 336101753 /nfs/dbraw/zinc/10/17/53/336101753.db2.gz FLYDCYWIZLJPTI-NXEZZACHSA-N -1 3 253.367 3.067 20 0 CGADHM CCCN(Cc1occc1C(=O)[O-])Cc1ccccc1 ZINC000383529583 336112378 /nfs/dbraw/zinc/11/23/78/336112378.db2.gz ACKWSFLYQXGFQV-UHFFFAOYSA-N -1 3 273.332 3.390 20 0 CGADHM CCc1cc(NC(=O)c2c([O-])cccc2O)ccc1C ZINC000383555713 336113997 /nfs/dbraw/zinc/11/39/97/336113997.db2.gz VBDXSQRVIGBODY-UHFFFAOYSA-N -1 3 271.316 3.221 20 0 CGADHM CCCCN(Cc1cc(C(=O)[O-])ccc1F)C1CC1 ZINC000062753991 520542302 /nfs/dbraw/zinc/54/23/02/520542302.db2.gz FQGSVSIRQWVPBZ-UHFFFAOYSA-N -1 3 265.328 3.288 20 0 CGADHM CCCCCc1nnc(NC(=O)c2cccc([O-])c2)s1 ZINC000193245609 500656150 /nfs/dbraw/zinc/65/61/50/500656150.db2.gz UKOKANFIVNJXCL-UHFFFAOYSA-N -1 3 291.376 3.229 20 0 CGADHM O=C([O-])c1ccc(CN2CCCC(F)(F)CC2)cc1F ZINC000629367809 501071647 /nfs/dbraw/zinc/07/16/47/501071647.db2.gz FJRSHZKJOICQBX-UHFFFAOYSA-N -1 3 287.281 3.145 20 0 CGADHM C[C@H](CCCC(F)(F)F)NC(=O)c1ccccc1[O-] ZINC000436807153 533838210 /nfs/dbraw/zinc/83/82/10/533838210.db2.gz KFGKFNKNFSWDGZ-SECBINFHSA-N -1 3 275.270 3.243 20 0 CGADHM CS[C@@H](CNC(=O)c1ccc(C)cc1[O-])C(C)(C)C ZINC000436829746 533925521 /nfs/dbraw/zinc/92/55/21/533925521.db2.gz BORCWDGBQUWROU-ZDUSSCGKSA-N -1 3 281.421 3.208 20 0 CGADHM C[C@H]1CN(Cc2cc([O-])cc(C(F)(F)F)c2)C[C@H](C)O1 ZINC000356090616 533951419 /nfs/dbraw/zinc/95/14/19/533951419.db2.gz RQQNABFIEHUZMJ-UWVGGRQHSA-N -1 3 289.297 3.020 20 0 CGADHM CS[C@H](C)CCC(=O)Nc1ccc([O-])cc1F ZINC000360851596 534041353 /nfs/dbraw/zinc/04/13/53/534041353.db2.gz OPSCIJYYYZPHCO-MRVPVSSYSA-N -1 3 257.330 3.002 20 0 CGADHM C[C@@H]1Cc2ccccc2N(C(=O)Cc2ccc([O-])c(F)c2)C1 ZINC000448910241 534073097 /nfs/dbraw/zinc/07/30/97/534073097.db2.gz KVYTYLLUEBEKAD-GFCCVEGCSA-N -1 3 299.345 3.299 20 0 CGADHM Cc1ccc(-c2nc(-c3cscn3)no2)c([O-])c1C ZINC000436956866 534206076 /nfs/dbraw/zinc/20/60/76/534206076.db2.gz PXPORUBIWXXRAO-UHFFFAOYSA-N -1 3 273.317 3.183 20 0 CGADHM Cc1noc([N-]C(=O)[C@H](C)Oc2ccc(C)cc2)c1C ZINC000359728742 534432329 /nfs/dbraw/zinc/43/23/29/534432329.db2.gz QHOYEEANYAYTLR-LBPRGKRZSA-N -1 3 274.320 3.006 20 0 CGADHM CC1(C)CCC[C@@H]1NC(=O)Cc1ccc([O-])cc1Cl ZINC000156927428 520348312 /nfs/dbraw/zinc/34/83/12/520348312.db2.gz RSWFTJNHTXGJJU-ZDUSSCGKSA-N -1 3 281.783 3.283 20 0 CGADHM CCOc1ccc(CCC(=O)Nc2ccccc2[O-])cc1 ZINC000055158276 520944399 /nfs/dbraw/zinc/94/43/99/520944399.db2.gz HBYHOBAKRCRVRI-UHFFFAOYSA-N -1 3 285.343 3.362 20 0 CGADHM Cc1cccc(C(=O)N2CC[C@H](C)C3(CCC3)C2)c1[O-] ZINC000436714165 534596602 /nfs/dbraw/zinc/59/66/02/534596602.db2.gz LHMWFUPGAWQMIT-ZDUSSCGKSA-N -1 3 273.376 3.353 20 0 CGADHM Cc1cccc(C(=O)NCCCc2cccc(F)c2)c1[O-] ZINC000436746293 534602003 /nfs/dbraw/zinc/60/20/03/534602003.db2.gz XUQGJWHSZFEFGH-UHFFFAOYSA-N -1 3 287.334 3.202 20 0 CGADHM Cc1cccc(C(=O)N[C@@H](C)c2cccc(F)c2F)c1[O-] ZINC000436872632 534616591 /nfs/dbraw/zinc/61/65/91/534616591.db2.gz USJXBVVLDYNIEN-JTQLQIEISA-N -1 3 291.297 3.470 20 0 CGADHM O=C(NC[C@H](c1ccccc1)C1CC1)c1ccc(O)cc1[O-] ZINC000436842388 534626993 /nfs/dbraw/zinc/62/69/93/534626993.db2.gz DFOHAWYAXOVGQT-MRXNPFEDSA-N -1 3 297.354 3.021 20 0 CGADHM Cc1cccc(-c2nc(CCC(F)(F)F)no2)c1[O-] ZINC000094494287 524118736 /nfs/dbraw/zinc/11/87/36/524118736.db2.gz DNLYHIMLORRVCP-UHFFFAOYSA-N -1 3 272.226 3.246 20 0 CGADHM C[C@H](N(C)Cc1ccc(C(=O)[O-])cc1F)C(C)(C)C ZINC000062753568 524814113 /nfs/dbraw/zinc/81/41/13/524814113.db2.gz HRNSPZSCIOHFHP-JTQLQIEISA-N -1 3 267.344 3.390 20 0 CGADHM O=C(NCC1(c2ccc(F)cc2)CCC1)c1ccccc1[O-] ZINC000436901502 534812172 /nfs/dbraw/zinc/81/21/72/534812172.db2.gz BNMLOQWUBMOLJE-UHFFFAOYSA-N -1 3 299.345 3.383 20 0 CGADHM Cc1ccc([O-])c(CN[C@H](C)c2ccc(F)c(F)c2)n1 ZINC000103340525 525352770 /nfs/dbraw/zinc/35/27/70/525352770.db2.gz QNCIJWIHMHUCDP-SNVBAGLBSA-N -1 3 278.302 3.225 20 0 CGADHM Cc1cc2c([n-]c(CC(=O)c3ccc(C)cc3)nc2=O)s1 ZINC000154410956 525625431 /nfs/dbraw/zinc/62/54/31/525625431.db2.gz ROAWQSGKQPAOEX-UHFFFAOYSA-N -1 3 298.367 3.027 20 0 CGADHM CC(=O)c1cccc(NC(=O)C=Cc2ccc(C)o2)c1[O-] ZINC000492781902 534889788 /nfs/dbraw/zinc/88/97/88/534889788.db2.gz KQNXHUBQHVINBV-HJWRWDBZSA-N -1 3 285.299 3.148 20 0 CGADHM C[C@H](c1ccccc1F)[S@@](=O)c1ccc([O-])cc1 ZINC000108085789 526118490 /nfs/dbraw/zinc/11/84/90/526118490.db2.gz HKYSFNLYFZNTNI-MGNBDDOMSA-N -1 3 264.321 3.400 20 0 CGADHM Cc1cnc([C@@H](C)NCc2cc([O-])cc(F)c2)s1 ZINC000184144196 526126617 /nfs/dbraw/zinc/12/66/17/526126617.db2.gz XHXZQDHHQCICQD-SECBINFHSA-N -1 3 266.341 3.147 20 0 CGADHM CC(C)(C)c1ncc(/C=C/C(=O)[N-]OC2CCC2)s1 ZINC000493379282 534907558 /nfs/dbraw/zinc/90/75/58/534907558.db2.gz DDQQQFPQWXATPU-BQYQJAHWSA-N -1 3 280.393 3.054 20 0 CGADHM CC(=O)c1ccc(C(=O)NCCC2CCCCC2)cc1[O-] ZINC000436555642 527252810 /nfs/dbraw/zinc/25/28/10/527252810.db2.gz LPDSLRZJBZWJDJ-UHFFFAOYSA-N -1 3 289.375 3.295 20 0 CGADHM CCC[C@H](C)[C@@H]1CCCN1C(=O)c1cc(OC)ccc1[O-] ZINC000156056827 528073463 /nfs/dbraw/zinc/07/34/63/528073463.db2.gz ACVQZNUWYSBTHH-WFASDCNBSA-N -1 3 291.391 3.442 20 0 CGADHM CC(C)c1ccc(C(=O)N[C@@H](C)C[C@H]2CCCO2)c([O-])c1 ZINC000436721114 528075278 /nfs/dbraw/zinc/07/52/78/528075278.db2.gz GLMWKXDJLURPQP-GXTWGEPZSA-N -1 3 291.391 3.203 20 0 CGADHM CC(C)c1ccc(C(=O)N[C@H]2CC=CCC2)c([O-])c1 ZINC000436533593 528078892 /nfs/dbraw/zinc/07/88/92/528078892.db2.gz GOGFNQLOAIOLGH-ZDUSSCGKSA-N -1 3 259.349 3.354 20 0 CGADHM CCOc1cc(C=Cc2cc(=O)[n-]c(C3CC3)n2)ccc1O ZINC000436934142 528193278 /nfs/dbraw/zinc/19/32/78/528193278.db2.gz RVRLOJQVXCHXSY-XVNBXDOJSA-N -1 3 298.342 3.334 20 0 CGADHM CCCCC[C@@H]1CCCN1C(=O)c1ccc(O)cc1[O-] ZINC000436621546 528259951 /nfs/dbraw/zinc/25/99/51/528259951.db2.gz AIKGVROZZDAFIH-GFCCVEGCSA-N -1 3 277.364 3.283 20 0 CGADHM CC(C)Oc1ncccc1-c1nc(-c2ccc([O-])cc2)no1 ZINC000436568793 528277499 /nfs/dbraw/zinc/27/74/99/528277499.db2.gz ZIAFMDQMTXTQQT-UHFFFAOYSA-N -1 3 297.314 3.291 20 0 CGADHM CC(C)[C@@H](CC(=O)[O-])NCc1cc(Cl)ccc1F ZINC000426784814 528425626 /nfs/dbraw/zinc/42/56/26/528425626.db2.gz SWNSXANCDRWGAW-GFCCVEGCSA-N -1 3 273.735 3.068 20 0 CGADHM CCCc1csc([N-]C(=O)c2cnc(C(C)=O)s2)n1 ZINC000412221050 528677626 /nfs/dbraw/zinc/67/76/26/528677626.db2.gz DGWDXBWIKRSGFY-UHFFFAOYSA-N -1 3 295.389 3.007 20 0 CGADHM CCN(Cc1nc(=O)c2sccc2[n-]1)C1CC(C)(C)C1 ZINC000412039200 528887106 /nfs/dbraw/zinc/88/71/06/528887106.db2.gz QCELRVNTUYAVOP-UHFFFAOYSA-N -1 3 291.420 3.407 20 0 CGADHM CCN(Cc1occc1C)C(=O)Cc1ccc([O-])c(F)c1 ZINC000412794972 528902099 /nfs/dbraw/zinc/90/20/99/528902099.db2.gz BBTQBKXTBYSZDH-UHFFFAOYSA-N -1 3 291.322 3.024 20 0 CGADHM CCCCn1c(=O)[n-]nc1SCc1ccc(OC)cc1 ZINC000359371235 529070851 /nfs/dbraw/zinc/07/08/51/529070851.db2.gz FCHGIHNBIXMXKB-UHFFFAOYSA-N -1 3 293.392 3.085 20 0 CGADHM CCN(C(=O)c1cc(OC)ccc1[O-])[C@H]1CCCC[C@@H]1C ZINC000171241414 529075804 /nfs/dbraw/zinc/07/58/04/529075804.db2.gz UUEUYSVMSIAURP-WFASDCNBSA-N -1 3 291.391 3.442 20 0 CGADHM CCSCc1cc(C(=O)Nc2ccc([O-])cc2F)no1 ZINC000436932378 529197670 /nfs/dbraw/zinc/19/76/70/529197670.db2.gz NMNSEJBRMILGSV-UHFFFAOYSA-N -1 3 296.323 3.025 20 0 CGADHM CC[C@H]1CCCC[C@H]1NC(=O)Cc1ccc([O-])c(F)c1 ZINC000448691028 529210525 /nfs/dbraw/zinc/21/05/25/529210525.db2.gz OGJTYJZTBRQWHL-GXTWGEPZSA-N -1 3 279.355 3.159 20 0 CGADHM CC[C@H]1CCC[C@@H](CNCc2nc(C)c(C(=O)[O-])s2)C1 ZINC000426679991 529221773 /nfs/dbraw/zinc/22/17/73/529221773.db2.gz YSYKDLMJSQUNBZ-NWDGAFQWSA-N -1 3 296.436 3.456 20 0 CGADHM CC[C@H](C)[C@H](NC(=O)c1cccc(C)c1[O-])C(F)(F)F ZINC000436998482 529255417 /nfs/dbraw/zinc/25/54/17/529255417.db2.gz CJRNGNWFMZAJEU-UFBFGSQYSA-N -1 3 289.297 3.407 20 0 CGADHM CC[C@@H]1CCC[C@H](CNCc2nc(C)c(C(=O)[O-])s2)C1 ZINC000426679990 529313080 /nfs/dbraw/zinc/31/30/80/529313080.db2.gz YSYKDLMJSQUNBZ-NEPJUHHUSA-N -1 3 296.436 3.456 20 0 CGADHM CC(=O)c1csc(C(=O)[N-]c2c(F)cccc2F)c1 ZINC000106592301 534944086 /nfs/dbraw/zinc/94/40/86/534944086.db2.gz OTOZNOBRCKHXKR-UHFFFAOYSA-N -1 3 281.283 3.481 20 0 CGADHM CC(C)(C)c1csc(NC(=O)c2c([O-])cccc2O)n1 ZINC000092106438 535150385 /nfs/dbraw/zinc/15/03/85/535150385.db2.gz HVKHJSDCGQODEN-UHFFFAOYSA-N -1 3 292.360 3.104 20 0 CGADHM CC[C@@H]1CCC[C@H]1CNC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000456046292 535822647 /nfs/dbraw/zinc/82/26/47/535822647.db2.gz PAPMXEYSBVPSGV-OLZOCXBDSA-N -1 3 298.386 3.084 20 0 CGADHM CC[C@H](N[C@H](C)c1nc(C)cc(=O)[n-]1)c1nc(C)cs1 ZINC000192777450 535943694 /nfs/dbraw/zinc/94/36/94/535943694.db2.gz RXTJCLXJZYJYEX-MNOVXSKESA-N -1 3 292.408 3.057 20 0 CGADHM CCc1cc(C(=O)N(CC(C)C)C(C)C)ccc1[O-] ZINC000486135519 536101893 /nfs/dbraw/zinc/10/18/93/536101893.db2.gz IRDNDWCITMPJCO-UHFFFAOYSA-N -1 3 263.381 3.461 20 0 CGADHM CCc1cc(C(=O)N2CC[C@H](C)C[C@@H](C)C2)ccc1[O-] ZINC000486912894 536112737 /nfs/dbraw/zinc/11/27/37/536112737.db2.gz KSSRHQLLFSTBLS-QWHCGFSZSA-N -1 3 275.392 3.463 20 0 CGADHM COc1cccc(CNCCC(C)(C)CCC(=O)[O-])c1F ZINC000166024720 571973399 /nfs/dbraw/zinc/97/33/99/571973399.db2.gz YTVJGNXUABNSEO-UHFFFAOYSA-N -1 3 297.370 3.205 20 0 CGADHM Cc1ccc(COc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000737341323 572338201 /nfs/dbraw/zinc/33/82/01/572338201.db2.gz FZJCNGLNUOURRF-UHFFFAOYSA-N -1 3 280.331 3.063 20 0 CGADHM Cc1ccc(COc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000737341323 572338204 /nfs/dbraw/zinc/33/82/04/572338204.db2.gz FZJCNGLNUOURRF-UHFFFAOYSA-N -1 3 280.331 3.063 20 0 CGADHM Clc1cc(NC[C@@H]2CC=CCC2)ccc1-c1nnn[n-]1 ZINC000737565673 572348982 /nfs/dbraw/zinc/34/89/82/572348982.db2.gz ODQJBLLSEMWDKE-SNVBAGLBSA-N -1 3 289.770 3.288 20 0 CGADHM Clc1cc(NC[C@@H]2CC=CCC2)ccc1-c1nn[n-]n1 ZINC000737565673 572348984 /nfs/dbraw/zinc/34/89/84/572348984.db2.gz ODQJBLLSEMWDKE-SNVBAGLBSA-N -1 3 289.770 3.288 20 0 CGADHM CC[C@](C)(NC(=O)c1ccc(O)cc1[O-])c1ccccc1 ZINC000730759934 572374610 /nfs/dbraw/zinc/37/46/10/572374610.db2.gz BIZOEFQBJFUJPW-KRWDZBQOSA-N -1 3 285.343 3.153 20 0 CGADHM C[C@@H](CCNCc1c(Cl)cccc1Cl)NC(=O)[O-] ZINC000738906246 572396951 /nfs/dbraw/zinc/39/69/51/572396951.db2.gz OUEXYKFGNGJKAP-QMMMGPOBSA-N -1 3 291.178 3.129 20 0 CGADHM C[C@H](NC1CCC(NC(=O)[O-])CC1)c1c(F)cccc1F ZINC000739034221 572413590 /nfs/dbraw/zinc/41/35/90/572413590.db2.gz VWPFGMHAPPKGAD-WHXUTIOJSA-N -1 3 298.333 3.194 20 0 CGADHM [O-]c1ccc(CNCc2nccc3ccccc32)cc1F ZINC000740898117 572467646 /nfs/dbraw/zinc/46/76/46/572467646.db2.gz CGRVSAVRJMXUNL-UHFFFAOYSA-N -1 3 282.318 3.369 20 0 CGADHM CC(C)(C)C(=O)[N-]OCc1ncc(-c2ccc(F)cc2)o1 ZINC000732806080 572485343 /nfs/dbraw/zinc/48/53/43/572485343.db2.gz SSNFHOJWZQGVDX-UHFFFAOYSA-N -1 3 292.310 3.075 20 0 CGADHM Cc1ccoc1C(=O)[N-]c1c2nsnc2ccc1Cl ZINC000742202720 572558150 /nfs/dbraw/zinc/55/81/50/572558150.db2.gz CFBWEXZTBTXDKF-UHFFFAOYSA-N -1 3 293.735 3.498 20 0 CGADHM C[C@H](CSc1ncccc1-c1nnn[n-]1)c1ccccc1 ZINC000736055268 572766320 /nfs/dbraw/zinc/76/63/20/572766320.db2.gz DVDMLUOSRCPCGU-LLVKDONJSA-N -1 3 297.387 3.158 20 0 CGADHM C[C@H](CSc1ncccc1-c1nn[n-]n1)c1ccccc1 ZINC000736055268 572766325 /nfs/dbraw/zinc/76/63/25/572766325.db2.gz DVDMLUOSRCPCGU-LLVKDONJSA-N -1 3 297.387 3.158 20 0 CGADHM CC(C)=CCN[C@H](C(=O)[O-])c1ccc(Br)cc1 ZINC000736343268 572782994 /nfs/dbraw/zinc/78/29/94/572782994.db2.gz BDONHWIYAUNIHY-LBPRGKRZSA-N -1 3 298.180 3.131 20 0 CGADHM CC(C)N(CCC(=O)[O-])Cn1c2ccccc2oc1=S ZINC000736467756 572794260 /nfs/dbraw/zinc/79/42/60/572794260.db2.gz FCWSVYTWWSFNBT-UHFFFAOYSA-N -1 3 294.376 3.106 20 0 CGADHM COc1cccc(CN[C@@H](C)CCC[C@@H](C)C(=O)[O-])c1F ZINC000166025213 572834477 /nfs/dbraw/zinc/83/44/77/572834477.db2.gz FWUAERAKCPPYFX-NEPJUHHUSA-N -1 3 297.370 3.203 20 0 CGADHM COc1ccccc1N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737152005 572863681 /nfs/dbraw/zinc/86/36/81/572863681.db2.gz JFCYZNFRUGKBTE-NSHDSACASA-N -1 3 295.346 3.048 20 0 CGADHM COc1ccccc1N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737152005 572863683 /nfs/dbraw/zinc/86/36/83/572863683.db2.gz JFCYZNFRUGKBTE-NSHDSACASA-N -1 3 295.346 3.048 20 0 CGADHM C[C@@H](Nc1cccc(F)c1-c1nnn[n-]1)c1ccccc1 ZINC000737194920 572865689 /nfs/dbraw/zinc/86/56/89/572865689.db2.gz VQIHQBMGKJAWHC-SNVBAGLBSA-N -1 3 283.310 3.179 20 0 CGADHM C[C@@H](Nc1cccc(F)c1-c1nn[n-]n1)c1ccccc1 ZINC000737194920 572865694 /nfs/dbraw/zinc/86/56/94/572865694.db2.gz VQIHQBMGKJAWHC-SNVBAGLBSA-N -1 3 283.310 3.179 20 0 CGADHM C[C@H](Nc1cccc(F)c1-c1nnn[n-]1)c1ccccc1 ZINC000737196642 572865739 /nfs/dbraw/zinc/86/57/39/572865739.db2.gz VQIHQBMGKJAWHC-JTQLQIEISA-N -1 3 283.310 3.179 20 0 CGADHM C[C@H](Nc1cccc(F)c1-c1nn[n-]n1)c1ccccc1 ZINC000737196642 572865741 /nfs/dbraw/zinc/86/57/41/572865741.db2.gz VQIHQBMGKJAWHC-JTQLQIEISA-N -1 3 283.310 3.179 20 0 CGADHM C[C@H](CNC(=O)c1ccccc1[O-])c1nc2ccccc2o1 ZINC000746568636 572880899 /nfs/dbraw/zinc/88/08/99/572880899.db2.gz WIBLFNNBHIVVMY-LLVKDONJSA-N -1 3 296.326 3.067 20 0 CGADHM O=C([N-]OCc1ccc(C(F)(F)F)cc1)[C@H]1CC12CCC2 ZINC000746923393 572900554 /nfs/dbraw/zinc/90/05/54/572900554.db2.gz PFNMUSPRLLKGRK-GFCCVEGCSA-N -1 3 299.292 3.443 20 0 CGADHM C[C@H]1CCC[C@@H](CC(=O)[N-]OCc2ccccc2)C1 ZINC000749838286 573044520 /nfs/dbraw/zinc/04/45/20/573044520.db2.gz MYXWNNLOZYXGNB-DZGCQCFKSA-N -1 3 261.365 3.451 20 0 CGADHM Cc1ccc(CCCCC(=O)[N-]OCC(C)C)cc1 ZINC000750020270 573074944 /nfs/dbraw/zinc/07/49/44/573074944.db2.gz BPYWGJKYQUPSFH-UHFFFAOYSA-N -1 3 263.381 3.412 20 0 CGADHM C[C@H](CNc1ccc(F)cc1-c1nn[n-]n1)C(C)(C)C ZINC000820281517 599559859 /nfs/dbraw/zinc/55/98/59/599559859.db2.gz VTNUFKKUPWSZBN-SECBINFHSA-N -1 3 277.347 3.100 20 0 CGADHM Cc1cc(CNCc2ccc(C(=O)[O-])cc2)c(C)s1 ZINC000818820569 597054851 /nfs/dbraw/zinc/05/48/51/597054851.db2.gz YAJGLJXVIHVNAE-UHFFFAOYSA-N -1 3 275.373 3.353 20 0 CGADHM CCCc1ccccc1NCc1ccc(-c2nnn[n-]2)s1 ZINC000821143787 607308152 /nfs/dbraw/zinc/30/81/52/607308152.db2.gz XZINOLPMPQKMMS-UHFFFAOYSA-N -1 3 299.403 3.493 20 0 CGADHM CN(CC1CCCCC1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736794398 598236777 /nfs/dbraw/zinc/23/67/77/598236777.db2.gz SCQOYNULOWFAJT-UHFFFAOYSA-N -1 3 289.358 3.022 20 0 CGADHM CCC[C@@H](CC)SCCC[N-]C(=O)C(F)(F)F ZINC000794485871 629546214 /nfs/dbraw/zinc/54/62/14/629546214.db2.gz MECFDWXDDLAWDO-SECBINFHSA-N -1 3 271.348 3.367 20 0 CGADHM C[C@H](CNc1ccc(F)cc1-c1nnn[n-]1)C(C)(C)C ZINC000820281517 599559858 /nfs/dbraw/zinc/55/98/58/599559858.db2.gz VTNUFKKUPWSZBN-SECBINFHSA-N -1 3 277.347 3.100 20 0 CGADHM O=C([O-])[C@H](c1ccc(F)cc1)N1CCc2ccccc2C1 ZINC000074404627 599708163 /nfs/dbraw/zinc/70/81/63/599708163.db2.gz ARCBJSQYNPOCMJ-INIZCTEOSA-N -1 3 285.318 3.010 20 0 CGADHM CCN(Cc1ccc(C(=O)[O-])o1)[C@@H](C)c1cccc(O)c1 ZINC000829718992 601007386 /nfs/dbraw/zinc/00/73/86/601007386.db2.gz UWAYZQCNYXREHU-NSHDSACASA-N -1 3 289.331 3.267 20 0 CGADHM O=C([O-])[C@@H]1c2ccccc2CCN1Cc1cccc(F)c1 ZINC000044466950 601545308 /nfs/dbraw/zinc/54/53/08/601545308.db2.gz ILGRBFBKMBYYCK-INIZCTEOSA-N -1 3 285.318 3.010 20 0 CGADHM O=C([O-])c1ccc(CN2CC[C@H]2Cc2ccccc2)cc1F ZINC000833313091 601649576 /nfs/dbraw/zinc/64/95/76/601649576.db2.gz OPGGNFGUUYFAFT-HNNXBMFYSA-N -1 3 299.345 3.341 20 0 CGADHM Cc1cccc(CNCc2cccc3c2N(C(=O)[O-])CC3)c1 ZINC000830497643 603850080 /nfs/dbraw/zinc/85/00/80/603850080.db2.gz ISMWTXILNXWCEK-UHFFFAOYSA-N -1 3 296.370 3.325 20 0 CGADHM C[C@H](c1ccc(F)cc1)N(C)Cc1c[nH]c(C(=O)[O-])c1 ZINC000833548622 604523095 /nfs/dbraw/zinc/52/30/95/604523095.db2.gz QPUMKRLKIQGBRE-SNVBAGLBSA-N -1 3 276.311 3.045 20 0 CGADHM CCc1[n-]n(C2CCC(F)(F)CC2)c(=O)c1C(C)C ZINC000899366342 620675036 /nfs/dbraw/zinc/67/50/36/620675036.db2.gz KYBSHRZQQDCXKF-LBPRGKRZSA-N -1 3 272.339 3.445 20 0 CGADHM CC1=C(C(=O)[O-])C[C@H](CN[C@H](C)c2ccccc2Cl)O1 ZINC000833576453 604833598 /nfs/dbraw/zinc/83/35/98/604833598.db2.gz APMKAJAPNFKXFS-MWLCHTKSSA-N -1 3 295.766 3.138 20 0 CGADHM CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2cccc(Cl)n2)C1 ZINC000833419574 604945908 /nfs/dbraw/zinc/94/59/08/604945908.db2.gz GQHMTAGRBHWBSM-NSHDSACASA-N -1 3 296.798 3.058 20 0 CGADHM O=C([O-])Nc1ccc2c(c1)CC[C@@H]2NCc1cccc(O)c1 ZINC000834262112 605602585 /nfs/dbraw/zinc/60/25/85/605602585.db2.gz HOUYOHFYSPJOJG-INIZCTEOSA-N -1 3 298.342 3.259 20 0 CGADHM CC1(C)CCN(Cc2cc(C(=O)[O-])ccc2F)CC1 ZINC000062756826 605830716 /nfs/dbraw/zinc/83/07/16/605830716.db2.gz XMFJIMDJGAVTLW-UHFFFAOYSA-N -1 3 265.328 3.146 20 0 CGADHM C[C@@H]1CCC[C@H]1Nc1nc2ccccc2cc1-c1nnn[n-]1 ZINC000820697990 606073676 /nfs/dbraw/zinc/07/36/76/606073676.db2.gz ORRHWSJWZKRYJS-ZWNOBZJWSA-N -1 3 294.362 3.015 20 0 CGADHM C[C@@H]1CCC[C@H]1Nc1nc2ccccc2cc1-c1nn[n-]n1 ZINC000820697990 606073681 /nfs/dbraw/zinc/07/36/81/606073681.db2.gz ORRHWSJWZKRYJS-ZWNOBZJWSA-N -1 3 294.362 3.015 20 0 CGADHM Fc1cccc(CSc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822786521 606326334 /nfs/dbraw/zinc/32/63/34/606326334.db2.gz LTCAIKYYJLDHQW-UHFFFAOYSA-N -1 3 286.335 3.298 20 0 CGADHM Fc1cccc(CSc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822786521 606326332 /nfs/dbraw/zinc/32/63/32/606326332.db2.gz LTCAIKYYJLDHQW-UHFFFAOYSA-N -1 3 286.335 3.298 20 0 CGADHM Clc1cccc(-c2nnn[n-]2)c1NC(C1CC1)C1CC1 ZINC000822581746 606447344 /nfs/dbraw/zinc/44/73/44/606447344.db2.gz NAQYLDGGQNHSFD-UHFFFAOYSA-N -1 3 289.770 3.121 20 0 CGADHM Clc1cccc(-c2nn[n-]n2)c1NC(C1CC1)C1CC1 ZINC000822581746 606447345 /nfs/dbraw/zinc/44/73/45/606447345.db2.gz NAQYLDGGQNHSFD-UHFFFAOYSA-N -1 3 289.770 3.121 20 0 CGADHM Clc1cccc(NCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822586204 606632645 /nfs/dbraw/zinc/63/26/45/606632645.db2.gz SXDJMCPZXFELKF-UHFFFAOYSA-N -1 3 285.738 3.132 20 0 CGADHM Clc1cccc(NCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822586204 606632646 /nfs/dbraw/zinc/63/26/46/606632646.db2.gz SXDJMCPZXFELKF-UHFFFAOYSA-N -1 3 285.738 3.132 20 0 CGADHM Fc1ccc(CSc2ccccc2)cc1-c1nnn[n-]1 ZINC000822775270 607005664 /nfs/dbraw/zinc/00/56/64/607005664.db2.gz UCMSDCKRIKOTPW-UHFFFAOYSA-N -1 3 286.335 3.298 20 0 CGADHM Fc1ccc(CSc2ccccc2)cc1-c1nn[n-]n1 ZINC000822775270 607005666 /nfs/dbraw/zinc/00/56/66/607005666.db2.gz UCMSDCKRIKOTPW-UHFFFAOYSA-N -1 3 286.335 3.298 20 0 CGADHM CC(C)[C@H](C)SCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820020143 607009589 /nfs/dbraw/zinc/00/95/89/607009589.db2.gz CDQSASWTTJYADI-VIFPVBQESA-N -1 3 280.372 3.284 20 0 CGADHM CC(C)[C@H](C)SCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820020143 607009590 /nfs/dbraw/zinc/00/95/90/607009590.db2.gz CDQSASWTTJYADI-VIFPVBQESA-N -1 3 280.372 3.284 20 0 CGADHM C[C@@H](COc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000820287359 607237266 /nfs/dbraw/zinc/23/72/66/607237266.db2.gz LBEXIMGVFQHKBC-NSHDSACASA-N -1 3 298.321 3.188 20 0 CGADHM C[C@@H](COc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000820287359 607237267 /nfs/dbraw/zinc/23/72/67/607237267.db2.gz LBEXIMGVFQHKBC-NSHDSACASA-N -1 3 298.321 3.188 20 0 CGADHM Clc1cccc(Cl)c1Cn1ccc(-c2nnn[n-]2)c1 ZINC000826353544 607891041 /nfs/dbraw/zinc/89/10/41/607891041.db2.gz UOBACUAQAKXOIU-UHFFFAOYSA-N -1 3 294.145 3.023 20 0 CGADHM Clc1cccc(Cl)c1Cn1ccc(-c2nn[n-]n2)c1 ZINC000826353544 607891042 /nfs/dbraw/zinc/89/10/42/607891042.db2.gz UOBACUAQAKXOIU-UHFFFAOYSA-N -1 3 294.145 3.023 20 0 CGADHM CCC[C@H]1C[C@H]1Nc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000825252762 608229909 /nfs/dbraw/zinc/22/99/09/608229909.db2.gz KBMOQDAIICWVDD-IINYFYTJSA-N -1 3 294.362 3.015 20 0 CGADHM CCC[C@H]1C[C@H]1Nc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000825252762 608229911 /nfs/dbraw/zinc/22/99/11/608229911.db2.gz KBMOQDAIICWVDD-IINYFYTJSA-N -1 3 294.362 3.015 20 0 CGADHM Cc1c(F)cccc1N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826241242 609274096 /nfs/dbraw/zinc/27/40/96/609274096.db2.gz WMEUELBIUHNOJA-LLVKDONJSA-N -1 3 297.337 3.487 20 0 CGADHM Cc1c(F)cccc1N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826241242 609274097 /nfs/dbraw/zinc/27/40/97/609274097.db2.gz WMEUELBIUHNOJA-LLVKDONJSA-N -1 3 297.337 3.487 20 0 CGADHM CCc1cc(NCc2cccc(-c3nnn[n-]3)c2)ccc1C ZINC000825700440 609313160 /nfs/dbraw/zinc/31/31/60/609313160.db2.gz FSTAHEVJTAOBSK-UHFFFAOYSA-N -1 3 293.374 3.350 20 0 CGADHM CCc1cc(NCc2cccc(-c3nn[n-]n3)c2)ccc1C ZINC000825700440 609313162 /nfs/dbraw/zinc/31/31/62/609313162.db2.gz FSTAHEVJTAOBSK-UHFFFAOYSA-N -1 3 293.374 3.350 20 0 CGADHM Cc1ccc2c(c1)O[C@@H](C)CN2C(=O)c1cc(C)ccc1[O-] ZINC000175841326 617975580 /nfs/dbraw/zinc/97/55/80/617975580.db2.gz DRSDNHGYQDEGAU-ZDUSSCGKSA-N -1 3 297.354 3.437 20 0 CGADHM O=C([N-]OC1CCC1)c1c(F)cc(C(F)(F)F)cc1F ZINC000812794459 617855421 /nfs/dbraw/zinc/85/54/21/617855421.db2.gz FGTVNNMMHNGGLK-UHFFFAOYSA-N -1 3 295.207 3.198 20 0 CGADHM O=C(Cc1cccc2ccccc21)[N-]OCc1cccnc1 ZINC000160744701 618140414 /nfs/dbraw/zinc/14/04/14/618140414.db2.gz MOMCKTWTBRYTIV-UHFFFAOYSA-N -1 3 292.338 3.025 20 0 CGADHM [O-]c1ccc(CN2CCO[C@@H](c3ccccc3)C2)cc1F ZINC000891562748 618239171 /nfs/dbraw/zinc/23/91/71/618239171.db2.gz RUHWXRGQYDRCLD-QGZVFWFLSA-N -1 3 287.334 3.105 20 0 CGADHM C/C(=C\C(=O)Nc1cc(Br)ccc1[O-])C1CC1 ZINC000176191037 618438986 /nfs/dbraw/zinc/43/89/86/618438986.db2.gz GTGIVVNUFSONGL-SOFGYWHQSA-N -1 3 296.164 3.450 20 0 CGADHM Cc1ccc(OCCC(=O)[N-]OCc2ccccc2)cc1C ZINC000309573786 618743377 /nfs/dbraw/zinc/74/33/77/618743377.db2.gz FPSUUYLBSBAOFZ-UHFFFAOYSA-N -1 3 299.370 3.320 20 0 CGADHM O=C(C[C@@H]1CCCC1(F)F)[N-]OCc1ccc(F)cc1 ZINC000935380878 618790005 /nfs/dbraw/zinc/79/00/05/618790005.db2.gz WHWMMPQLRWIJKL-NSHDSACASA-N -1 3 287.281 3.199 20 0 CGADHM Cc1ccc(CCCC(=O)[N-]OCCC(F)(F)F)s1 ZINC000162692893 618881852 /nfs/dbraw/zinc/88/18/52/618881852.db2.gz RIJBWAAHFWUHOQ-UHFFFAOYSA-N -1 3 295.326 3.379 20 0 CGADHM O=C([N-]OC/C=C\Cl)C1(CCc2ccccc2)CC1 ZINC000936061334 618932824 /nfs/dbraw/zinc/93/28/24/618932824.db2.gz YQYHFTALTCIXGS-WCIBSUBMSA-N -1 3 279.767 3.200 20 0 CGADHM CCC(=O)[C@@H](C)OC(=O)c1cccc2[n-]c(C(F)F)nc21 ZINC000924085623 618934121 /nfs/dbraw/zinc/93/41/21/618934121.db2.gz MYJJNHSCWGVSCI-SSDOTTSWSA-N -1 3 296.273 3.025 20 0 CGADHM Cc1ccc2c(c1)O[C@@H](C)CN2C(=O)c1cccc(C)c1[O-] ZINC000175841229 618970021 /nfs/dbraw/zinc/97/00/21/618970021.db2.gz CVHJURRULPJDIM-ZDUSSCGKSA-N -1 3 297.354 3.437 20 0 CGADHM O=C([N-]c1ncsc1C1CC1)c1nc(Cl)ccc1F ZINC000893270485 619056350 /nfs/dbraw/zinc/05/63/50/619056350.db2.gz ZEIMVQSWFHQJFQ-UHFFFAOYSA-N -1 3 297.742 3.460 20 0 CGADHM C[C@@H](NCc1c([O-])ccc(Cl)c1F)c1cccnc1 ZINC000190692782 619102225 /nfs/dbraw/zinc/10/22/25/619102225.db2.gz BQPPIQROWLSPRG-SECBINFHSA-N -1 3 280.730 3.431 20 0 CGADHM C[C@@H](CNC(=O)c1cc([O-])ccc1Cl)C(C)(C)C ZINC000235170613 619300412 /nfs/dbraw/zinc/30/04/12/619300412.db2.gz XEKMLFPGRUALIY-VIFPVBQESA-N -1 3 269.772 3.458 20 0 CGADHM CC[C@]1(C(=O)[O-])CCCN(Cc2cc(F)cc(F)c2)C1 ZINC000097904024 619302228 /nfs/dbraw/zinc/30/22/28/619302228.db2.gz IBGJOIGPXSYOJO-HNNXBMFYSA-N -1 3 283.318 3.042 20 0 CGADHM O=C(CCCc1ccc(C2CC2)cc1)[N-]OCC(F)F ZINC000897393994 620283760 /nfs/dbraw/zinc/28/37/60/620283760.db2.gz BCCIBKNFYYSWSX-UHFFFAOYSA-N -1 3 283.318 3.200 20 0 CGADHM COc1ccc(CN2C[C@@H](C(=O)[O-])CC[C@@H]2C)cc1Cl ZINC000263487520 620321802 /nfs/dbraw/zinc/32/18/02/620321802.db2.gz HURFNWWCBZUUCS-JQWIXIFHSA-N -1 3 297.782 3.034 20 0 CGADHM O=C(CCCc1ccccc1)[N-]OCCc1ccccc1 ZINC000163425443 620350286 /nfs/dbraw/zinc/35/02/86/620350286.db2.gz CQDDBMXFBFPESR-UHFFFAOYSA-N -1 3 283.371 3.300 20 0 CGADHM CCCCCC(C)(C)C(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000898216138 620488845 /nfs/dbraw/zinc/48/88/45/620488845.db2.gz NLPQTSCUYXFCQK-LBPRGKRZSA-N -1 3 293.411 3.038 20 0 CGADHM Cc1ccc(CCCC(=O)[N-]OCc2cccc(C)n2)cc1 ZINC000898935462 620610772 /nfs/dbraw/zinc/61/07/72/620610772.db2.gz CUIXTWYEHMROSA-UHFFFAOYSA-N -1 3 298.386 3.269 20 0 CGADHM CCOCc1nnc([N-][C@@H](CC)c2cccs2)o1 ZINC000901409217 620878683 /nfs/dbraw/zinc/87/86/83/620878683.db2.gz VNBAYTGWZJIUKI-VIFPVBQESA-N -1 3 267.354 3.231 20 0 CGADHM C[C@@]1(NCc2cccc(C(=O)[O-])n2)CCCc2ccccc21 ZINC000901439615 620887660 /nfs/dbraw/zinc/88/76/60/620887660.db2.gz UPVWOYHKKKVYBQ-GOSISDBHSA-N -1 3 296.370 3.121 20 0 CGADHM C[C@@]1(C(=O)[O-])CCN(Cc2ccc(C(F)(F)F)s2)C1 ZINC000901512687 620921729 /nfs/dbraw/zinc/92/17/29/620921729.db2.gz KZROTXXAELXZGU-LLVKDONJSA-N -1 3 293.310 3.064 20 0 CGADHM C[C@H](Sc1nc2c(cnn2C)c(=O)[n-]1)C1CCCCC1 ZINC000901584955 620948205 /nfs/dbraw/zinc/94/82/05/620948205.db2.gz AOEPOTGKXOTVOW-VIFPVBQESA-N -1 3 292.408 3.130 20 0 CGADHM CCCc1ccc(CN2CCSC[C@@H]2CC(=O)[O-])s1 ZINC000901983723 621085532 /nfs/dbraw/zinc/08/55/32/621085532.db2.gz ULISHRFQPMOZSN-NSHDSACASA-N -1 3 299.461 3.093 20 0 CGADHM Cc1oc(C(=O)[O-])cc1CN[C@H]1CCc2ccc(C)cc21 ZINC000902230771 621203153 /nfs/dbraw/zinc/20/31/53/621203153.db2.gz LODUHSRTKAAYSF-HNNXBMFYSA-N -1 3 285.343 3.372 20 0 CGADHM CC(C)c1ncc(NCc2c(F)ccc([O-])c2F)cn1 ZINC000902248109 621220711 /nfs/dbraw/zinc/22/07/11/621220711.db2.gz FNJKNLCIOONXMX-UHFFFAOYSA-N -1 3 279.290 3.196 20 0 CGADHM O=C([O-])CC1CCC(N[C@H]2C[C@]2(F)c2ccccc2)CC1 ZINC000902339516 621252214 /nfs/dbraw/zinc/25/22/14/621252214.db2.gz ACFFTNOHJKVNHN-WYUQMZMFSA-N -1 3 291.366 3.247 20 0 CGADHM CCC(CC)CCCN(C)Cc1cccc(C(=O)[O-])n1 ZINC000902478062 621327557 /nfs/dbraw/zinc/32/75/57/621327557.db2.gz IAANAIGFQNTJGS-UHFFFAOYSA-N -1 3 278.396 3.428 20 0 CGADHM CC(C)[C@@H](c1ccccc1)N(C)Cc1cc(C(=O)[O-])no1 ZINC000902517675 621359513 /nfs/dbraw/zinc/35/95/13/621359513.db2.gz WSKRBCUXROEXQT-HNNXBMFYSA-N -1 3 288.347 3.202 20 0 CGADHM CC[C@H](C)[C@@H](C(=O)[O-])N1CCC[C@@H]1c1ccc(COC)o1 ZINC000903597340 621774564 /nfs/dbraw/zinc/77/45/64/621774564.db2.gz LNDKYGWJMZPNOM-LNSITVRQSA-N -1 3 295.379 3.062 20 0 CGADHM O=C([O-])c1ccc2c(c1)CCN(CCc1ccccc1F)C2 ZINC000903616405 621775441 /nfs/dbraw/zinc/77/54/41/621775441.db2.gz HIDLAXQVMXJAIV-UHFFFAOYSA-N -1 3 299.345 3.125 20 0 CGADHM Cc1ncc([C@H](C)NCc2ccc(C(=O)[O-])s2)s1 ZINC000903691985 621789228 /nfs/dbraw/zinc/78/92/28/621789228.db2.gz AXVWMIFNAREDLP-ZETCQYMHSA-N -1 3 282.390 3.062 20 0 CGADHM CC[C@@H](CNCc1cc(Cl)sc1Cl)C(=O)[O-] ZINC000903709089 621795470 /nfs/dbraw/zinc/79/54/70/621795470.db2.gz AQIOVVOAHFPHKW-LURJTMIESA-N -1 3 282.192 3.255 20 0 CGADHM CCc1ccc(-c2nc([C@@H](C)[C@@H]3CCCO3)no2)c([O-])c1 ZINC000903819842 621815491 /nfs/dbraw/zinc/81/54/91/621815491.db2.gz LFJQWRXGLWHLHM-HZMBPMFUSA-N -1 3 288.347 3.287 20 0 CGADHM C[C@@H]1CSCCCN1Cc1cc(C(=O)[O-])ccc1Cl ZINC000903957104 621835916 /nfs/dbraw/zinc/83/59/16/621835916.db2.gz JIIRDCPSFACWBC-SNVBAGLBSA-N -1 3 299.823 3.366 20 0 CGADHM [O-]c1ccc(Cc2nc(-c3ccccc3F)no2)cc1F ZINC000904773855 621984000 /nfs/dbraw/zinc/98/40/00/621984000.db2.gz KDPPOLLPIXGNMD-UHFFFAOYSA-N -1 3 288.253 3.311 20 0 CGADHM Cc1cc(C2OCCO2)c(C)cc1-c1ccc(=O)[n-]c1F ZINC000904799872 621995301 /nfs/dbraw/zinc/99/53/01/621995301.db2.gz SSGLATFGUOVFIG-UHFFFAOYSA-N -1 3 289.306 3.256 20 0 CGADHM Cc1ccc(CN[C@H](C(=O)[O-])c2ccc(C)c(C)c2)c(C)n1 ZINC000905383189 622064173 /nfs/dbraw/zinc/06/41/73/622064173.db2.gz ZEROYONIKXASJM-KRWDZBQOSA-N -1 3 298.386 3.231 20 0 CGADHM C[C@@]1(NCc2ccc(C(=O)[O-])cn2)CCCc2ccccc21 ZINC000905714533 622097970 /nfs/dbraw/zinc/09/79/70/622097970.db2.gz YOPZCYANLHWSKJ-GOSISDBHSA-N -1 3 296.370 3.121 20 0 CGADHM COc1cccc([O-])c1C(=O)N(C)C1CCC(F)(F)CC1 ZINC000908221582 622333662 /nfs/dbraw/zinc/33/36/62/622333662.db2.gz WROKDNBIEGVLEV-UHFFFAOYSA-N -1 3 299.317 3.051 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CCC[C@H]2C(F)(F)F)c1 ZINC000913020564 622726836 /nfs/dbraw/zinc/72/68/36/622726836.db2.gz WJBRNCQULRDLIW-LBPRGKRZSA-N -1 3 287.281 3.122 20 0 CGADHM CC1(C)CCCC[C@@H]1C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000913356953 622762685 /nfs/dbraw/zinc/76/26/85/622762685.db2.gz GWBUPYYKXQSZDL-GFCCVEGCSA-N -1 3 299.378 3.022 20 0 CGADHM CC1(C)CCCC[C@@H]1C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000913356953 622762695 /nfs/dbraw/zinc/76/26/95/622762695.db2.gz GWBUPYYKXQSZDL-GFCCVEGCSA-N -1 3 299.378 3.022 20 0 CGADHM Cc1cccc(C(=O)Nc2cnc(Cl)c(C)c2)c1[O-] ZINC000228070879 623038928 /nfs/dbraw/zinc/03/89/28/623038928.db2.gz AEBFXOGMOIGSBR-UHFFFAOYSA-N -1 3 276.723 3.310 20 0 CGADHM CC(C)[C@H](OC(=O)c1ccc([O-])cc1)C(=O)c1ccccc1 ZINC000050363286 623062228 /nfs/dbraw/zinc/06/22/28/623062228.db2.gz FENVIYGBWSYXHG-KRWDZBQOSA-N -1 3 298.338 3.457 20 0 CGADHM [O-]c1ccc(Cl)cc1/C=N/[C@@H]1CCO[C@H](C2CC2)C1 ZINC000154228346 624222360 /nfs/dbraw/zinc/22/23/60/624222360.db2.gz KQWKMOTWFFVEME-NXLQUEFTSA-N -1 3 279.767 3.422 20 0 CGADHM Cc1ccc(-c2cc(C(=O)OCc3ccccc3)n[n-]2)o1 ZINC000918489054 624348603 /nfs/dbraw/zinc/34/86/03/624348603.db2.gz QHNUHPDHANEUQI-UHFFFAOYSA-N -1 3 282.299 3.335 20 0 CGADHM Cc1ccc(-c2cc(C(=O)OCc3ccccc3)[n-]n2)o1 ZINC000918489054 624348606 /nfs/dbraw/zinc/34/86/06/624348606.db2.gz QHNUHPDHANEUQI-UHFFFAOYSA-N -1 3 282.299 3.335 20 0 CGADHM O=C([N-]OCc1ccccc1)[C@@H]1C[C@]12CCc1ccccc12 ZINC000175119800 624613584 /nfs/dbraw/zinc/61/35/84/624613584.db2.gz LBAJAVMDSIFFCR-HKUYNNGSSA-N -1 3 293.366 3.139 20 0 CGADHM CC(C)c1ccc(CN(C)C(=O)c2ccc(N)cc2[O-])cc1 ZINC000751443235 626390069 /nfs/dbraw/zinc/39/00/69/626390069.db2.gz IAIJWRAHWDKMBL-UHFFFAOYSA-N -1 3 298.386 3.370 20 0 CGADHM CCC[C@@H](NC(=O)c1ccc(N)cc1[O-])c1ccccc1 ZINC000752716315 626435473 /nfs/dbraw/zinc/43/54/73/626435473.db2.gz JURFRWBTVJEZFB-OAHLLOKOSA-N -1 3 284.359 3.246 20 0 CGADHM O=C(OCc1ccc(F)cc1F)c1ccc([O-])cc1 ZINC000754055701 626473694 /nfs/dbraw/zinc/47/36/94/626473694.db2.gz WRIHDVNVSVCTFO-UHFFFAOYSA-N -1 3 264.227 3.027 20 0 CGADHM O=C([N-][C@@H]1CCC[C@@H](c2ccccc2)C1)C(F)(F)F ZINC000754754936 626586205 /nfs/dbraw/zinc/58/62/05/626586205.db2.gz VQWZWPZBCVULDK-VXGBXAGGSA-N -1 3 271.282 3.391 20 0 CGADHM CCCn1cc(NC(=O)c2ccc3c(c2[O-])CCCC3)cn1 ZINC000755418390 626622443 /nfs/dbraw/zinc/62/24/43/626622443.db2.gz VLAPRYOJSNPASH-UHFFFAOYSA-N -1 3 299.374 3.130 20 0 CGADHM CCCCCCO[C@@H](C)C(=O)Nc1cc(F)ccc1[O-] ZINC000839699406 626775980 /nfs/dbraw/zinc/77/59/80/626775980.db2.gz WZCRIRAOCBZWAD-NSHDSACASA-N -1 3 283.343 3.455 20 0 CGADHM CCc1cccc(C(=O)N2CCc3c(F)cccc3C2)c1[O-] ZINC000757925820 626814870 /nfs/dbraw/zinc/81/48/70/626814870.db2.gz SPPGDSOTDJTKSM-UHFFFAOYSA-N -1 3 299.345 3.292 20 0 CGADHM CCN(Cc1cccc(Cl)c1)Cc1nc(C)cc(=O)[n-]1 ZINC000761863438 627068329 /nfs/dbraw/zinc/06/83/29/627068329.db2.gz AXHGGAZAIPWGIU-UHFFFAOYSA-N -1 3 291.782 3.166 20 0 CGADHM O=C(Cc1ccc2ccccc2c1)[N-]OCc1ccccn1 ZINC000767542855 627416488 /nfs/dbraw/zinc/41/64/88/627416488.db2.gz IMJRAACWCKFHGV-UHFFFAOYSA-N -1 3 292.338 3.025 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])[C@H](F)c1ccccc1 ZINC000769613063 627569709 /nfs/dbraw/zinc/56/97/09/627569709.db2.gz MFPYOUMXOFJUPX-CYBMUJFWSA-N -1 3 263.243 3.181 20 0 CGADHM Cc1ccc(COC(=O)c2cc(-c3ccco3)[n-]n2)c(C)n1 ZINC000771973922 627751876 /nfs/dbraw/zinc/75/18/76/627751876.db2.gz LNNKQMVRKHEAAB-UHFFFAOYSA-N -1 3 297.314 3.039 20 0 CGADHM Cc1ccc(COC(=O)c2cc(-c3ccco3)n[n-]2)c(C)n1 ZINC000771973922 627751879 /nfs/dbraw/zinc/75/18/79/627751879.db2.gz LNNKQMVRKHEAAB-UHFFFAOYSA-N -1 3 297.314 3.039 20 0 CGADHM CCOc1ccc(CCC(=O)[N-]Oc2ccccc2)cc1 ZINC000773459560 627885677 /nfs/dbraw/zinc/88/56/77/627885677.db2.gz AWOJESSYRXWVSC-UHFFFAOYSA-N -1 3 285.343 3.128 20 0 CGADHM Cc1ccc(CCCC(=O)[N-]OC2CCCC2)cc1 ZINC000774869383 628044640 /nfs/dbraw/zinc/04/46/40/628044640.db2.gz SUHMYJXVYOJGPN-UHFFFAOYSA-N -1 3 261.365 3.308 20 0 CGADHM O=C(Cc1coc2cc(F)ccc12)[N-]OC1CCCC1 ZINC000774875940 628045995 /nfs/dbraw/zinc/04/59/95/628045995.db2.gz YJBMUBNFRNZTIN-UHFFFAOYSA-N -1 3 277.295 3.105 20 0 CGADHM CC(C)COc1ccc(CC(=O)[N-]OC2CCCC2)cc1 ZINC000774874226 628046279 /nfs/dbraw/zinc/04/62/79/628046279.db2.gz BNQRFXZDQHGBPQ-UHFFFAOYSA-N -1 3 291.391 3.254 20 0 CGADHM CCc1ccc(NC([O-])=NO[C@H]2CCCCO2)cc1C ZINC000775707564 628127626 /nfs/dbraw/zinc/12/76/26/628127626.db2.gz PTONZXDYZALKRW-AWEZNQCLSA-N -1 3 278.352 3.137 20 0 CGADHM CCc1ccc(NC(=O)[N-]O[C@H]2CCCCO2)cc1C ZINC000775707564 628127628 /nfs/dbraw/zinc/12/76/28/628127628.db2.gz PTONZXDYZALKRW-AWEZNQCLSA-N -1 3 278.352 3.137 20 0 CGADHM O=C(Cc1ccc(OC(F)F)cc1)[N-]OC1CCCCC1 ZINC000777960627 628314618 /nfs/dbraw/zinc/31/46/18/628314618.db2.gz BDDWZEOESSQMJP-UHFFFAOYSA-N -1 3 299.317 3.211 20 0 CGADHM C[C@H]1C[C@@H](COC(=O)c2cc(Cl)c(Cl)[n-]2)CCO1 ZINC000778368735 628344778 /nfs/dbraw/zinc/34/47/78/628344778.db2.gz KIWCLYZOBAWXIN-YUMQZZPRSA-N -1 3 292.162 3.293 20 0 CGADHM Cc1cc(C=C2SC(=O)[N-]C2=O)c(OC(F)F)cc1C ZINC000874927490 634652414 /nfs/dbraw/zinc/65/24/14/634652414.db2.gz ICXSGEVJPHZMSX-BJMVGYQFSA-N -1 3 299.298 3.229 20 0 CGADHM O=C1[N-]C(=O)C(=Cc2ccc(SC(F)F)cc2)S1 ZINC000874927645 634652606 /nfs/dbraw/zinc/65/26/06/634652606.db2.gz FQBMIGYIAIZGTQ-VMPITWQZSA-N -1 3 287.312 3.325 20 0 CGADHM CN(C)c1ccc(CCC(=O)[N-]OC2CCCCC2)cc1 ZINC000779321234 628407750 /nfs/dbraw/zinc/40/77/50/628407750.db2.gz GHULMZJJFPJMBW-UHFFFAOYSA-N -1 3 290.407 3.066 20 0 CGADHM Cc1cc(=O)[n-]c(CSCc2ccc(F)cc2C)n1 ZINC000783903517 628756423 /nfs/dbraw/zinc/75/64/23/628756423.db2.gz MAZJPJUWBRIZJC-UHFFFAOYSA-N -1 3 278.352 3.372 20 0 CGADHM O=C([O-])C[C@@H](NCc1ccc(Cl)nc1)c1cccs1 ZINC000789897909 629172842 /nfs/dbraw/zinc/17/28/42/629172842.db2.gz PKLLAVZVRADYSX-SNVBAGLBSA-N -1 3 296.779 3.102 20 0 CGADHM Cc1cccc([O-])c1C(=O)NCC[C@H]1CC1(Cl)Cl ZINC000862259360 629333816 /nfs/dbraw/zinc/33/38/16/629333816.db2.gz ZKUXOBOEWWDNBX-VIFPVBQESA-N -1 3 288.174 3.014 20 0 CGADHM O=C(CCc1cnc2ccccc2c1)[N-]OC1CCCC1 ZINC000792304235 629355407 /nfs/dbraw/zinc/35/54/07/629355407.db2.gz NJWZZDKGQQBWNK-UHFFFAOYSA-N -1 3 284.359 3.158 20 0 CGADHM CCOCCO[N-]C(=O)C[C@@H]1C[C@H](C)c2c1cccc2C ZINC000792608814 629370195 /nfs/dbraw/zinc/37/01/95/629370195.db2.gz SZWHJGMNRIUNOU-KBPBESRZSA-N -1 3 291.391 3.060 20 0 CGADHM CSCCO[N-]C(=O)CCCCCc1ccc(F)cc1 ZINC000794191391 629521139 /nfs/dbraw/zinc/52/11/39/629521139.db2.gz CZXRPJSPPHOJDQ-UHFFFAOYSA-N -1 3 299.411 3.339 20 0 CGADHM CSCCO[N-]C(=O)C[C@@H](C)C1CCCCC1 ZINC000794196167 629521620 /nfs/dbraw/zinc/52/16/20/629521620.db2.gz UMTJWSCTNBCYHC-LLVKDONJSA-N -1 3 259.415 3.004 20 0 CGADHM CSCCO[N-]C(=O)C[C@@H]1C[C@H](C)c2c1cccc2C ZINC000794196474 629521954 /nfs/dbraw/zinc/52/19/54/629521954.db2.gz XWGSVEQZGXYJRR-STQMWFEESA-N -1 3 293.432 3.387 20 0 CGADHM CCC1(C)CN(C(=O)c2cc3sccc3c([O-])c2)C1 ZINC000794547964 629554408 /nfs/dbraw/zinc/55/44/08/629554408.db2.gz SRSMVAZTVCTSKA-UHFFFAOYSA-N -1 3 275.373 3.479 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)CCSc1ccccc1 ZINC000794843276 629586652 /nfs/dbraw/zinc/58/66/52/629586652.db2.gz QMOZRUCQSQTQKC-GFCCVEGCSA-N -1 3 267.394 3.263 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)C[C@@H](C)c1cccc(OC)c1 ZINC000794850448 629587707 /nfs/dbraw/zinc/58/77/07/629587707.db2.gz DCTUJBONCHMMTM-QWHCGFSZSA-N -1 3 279.380 3.283 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)CCCOc1ccc(C)cc1 ZINC000794870072 629592022 /nfs/dbraw/zinc/59/20/22/629592022.db2.gz KLMGFLKQPAEDCV-CYBMUJFWSA-N -1 3 279.380 3.248 20 0 CGADHM CC(C)CC[C@H](N)c1nc(-c2ccc([O-])cc2F)no1 ZINC000863671085 629641684 /nfs/dbraw/zinc/64/16/84/629641684.db2.gz WBLYFPMOFQWZTE-LBPRGKRZSA-N -1 3 279.315 3.017 20 0 CGADHM COc1ccccc1CO[N-]C(=O)CCCC(C)(C)C ZINC000799090068 630140708 /nfs/dbraw/zinc/14/07/08/630140708.db2.gz FFSZKHXXEFRIRH-UHFFFAOYSA-N -1 3 279.380 3.459 20 0 CGADHM Cc1ccc(C)c(COC(=O)c2cc(F)cc3[n-]nnc32)c1 ZINC000800262424 630256557 /nfs/dbraw/zinc/25/65/57/630256557.db2.gz JVXDDVMYGFIWRI-UHFFFAOYSA-N -1 3 299.305 3.071 20 0 CGADHM Cc1ccc(C)c(COC(=O)c2cc(F)cc3nn[n-]c32)c1 ZINC000800262424 630256561 /nfs/dbraw/zinc/25/65/61/630256561.db2.gz JVXDDVMYGFIWRI-UHFFFAOYSA-N -1 3 299.305 3.071 20 0 CGADHM Cc1ccc(C)c(COC(=O)c2cc(F)cc3n[n-]nc32)c1 ZINC000800262424 630256566 /nfs/dbraw/zinc/25/65/66/630256566.db2.gz JVXDDVMYGFIWRI-UHFFFAOYSA-N -1 3 299.305 3.071 20 0 CGADHM Cc1ccc(COC(=O)c2cc(F)cc3[n-]nnc32)cc1C ZINC000800261918 630256666 /nfs/dbraw/zinc/25/66/66/630256666.db2.gz BLTVOEDZQBPODB-UHFFFAOYSA-N -1 3 299.305 3.071 20 0 CGADHM Cc1ccc(COC(=O)c2cc(F)cc3nn[n-]c32)cc1C ZINC000800261918 630256669 /nfs/dbraw/zinc/25/66/69/630256669.db2.gz BLTVOEDZQBPODB-UHFFFAOYSA-N -1 3 299.305 3.071 20 0 CGADHM Cc1ccc(COC(=O)c2cc(F)cc3n[n-]nc32)cc1C ZINC000800261918 630256672 /nfs/dbraw/zinc/25/66/72/630256672.db2.gz BLTVOEDZQBPODB-UHFFFAOYSA-N -1 3 299.305 3.071 20 0 CGADHM Cc1cc(C)nc(C(=O)Nc2cc(Cl)ccc2[O-])c1 ZINC000801176810 630327109 /nfs/dbraw/zinc/32/71/09/630327109.db2.gz TVJOWOWVXIRQKI-UHFFFAOYSA-N -1 3 276.723 3.310 20 0 CGADHM O=c1cc(C=Cc2nc(Cl)cs2)nc(C2CC2)[n-]1 ZINC000806564680 630567286 /nfs/dbraw/zinc/56/72/86/630567286.db2.gz TXZOCLQXOTVIBQ-ARJAWSKDSA-N -1 3 279.752 3.340 20 0 CGADHM O=C(OCCc1cn[nH]c1)c1cc2cc(Cl)sc2[n-]1 ZINC000810606352 630903226 /nfs/dbraw/zinc/90/32/26/630903226.db2.gz KRENVMOXDPFHQL-UHFFFAOYSA-N -1 3 295.751 3.005 20 0 CGADHM O=C(O[C@H]1CCCOC1)c1cc2cc(Cl)sc2[n-]1 ZINC000810628628 630911232 /nfs/dbraw/zinc/91/12/32/630911232.db2.gz NKJQDBGCQVREIE-QMMMGPOBSA-N -1 3 285.752 3.219 20 0 CGADHM COC[C@@H](C)COC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000810680380 630926680 /nfs/dbraw/zinc/92/66/80/630926680.db2.gz NDZHXWGSHZYKIS-SSDOTTSWSA-N -1 3 287.768 3.322 20 0 CGADHM Cc1ccc(CCC(=O)[N-]OC2CCCCC2)s1 ZINC000810689981 630927442 /nfs/dbraw/zinc/92/74/42/630927442.db2.gz OZBLICHPIHUDMU-UHFFFAOYSA-N -1 3 267.394 3.370 20 0 CGADHM Cc1ccc(-c2cc(C(=O)O[C@H]3CCCC[C@@H]3F)n[n-]2)o1 ZINC000811055578 631017048 /nfs/dbraw/zinc/01/70/48/631017048.db2.gz DDFZCHAJUAUBTB-GWCFXTLKSA-N -1 3 292.310 3.416 20 0 CGADHM Cc1ccc(-c2cc(C(=O)O[C@H]3CCCC[C@@H]3F)[n-]n2)o1 ZINC000811055578 631017054 /nfs/dbraw/zinc/01/70/54/631017054.db2.gz DDFZCHAJUAUBTB-GWCFXTLKSA-N -1 3 292.310 3.416 20 0 CGADHM O=C(NOC1CCC1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000812792678 631310227 /nfs/dbraw/zinc/31/02/27/631310227.db2.gz GQWQRQHOIHBDCN-UHFFFAOYSA-N -1 3 297.354 3.197 20 0 CGADHM [O-]c1ccc(F)c(CNc2ccc3c(c2)OCO3)c1F ZINC000816536833 632006483 /nfs/dbraw/zinc/00/64/83/632006483.db2.gz LHVBUITZHXQQIS-UHFFFAOYSA-N -1 3 279.242 3.011 20 0 CGADHM O=C(Nc1c([O-])cccc1Cl)c1nc(Cl)cs1 ZINC000816768698 632049457 /nfs/dbraw/zinc/04/94/57/632049457.db2.gz CBQKFIDZUKSHQQ-UHFFFAOYSA-N -1 3 289.143 3.408 20 0 CGADHM O=C([N-]C[C@@H]1CCCCC(F)(F)C1)C(F)(F)C(F)F ZINC000816789119 632051721 /nfs/dbraw/zinc/05/17/21/632051721.db2.gz HDMZXHDEWLXBLI-SSDOTTSWSA-N -1 3 291.235 3.219 20 0 CGADHM Cc1ccc(OCCCC(=O)[N-]OCC2CC2)c(Cl)c1 ZINC000817362414 632131180 /nfs/dbraw/zinc/13/11/80/632131180.db2.gz MATFOLUDBFVUOW-UHFFFAOYSA-N -1 3 297.782 3.265 20 0 CGADHM O=C(CCCc1c[nH]c2ccccc12)[N-]OCCC1CC1 ZINC000817407778 632139950 /nfs/dbraw/zinc/13/99/50/632139950.db2.gz BJIHFZAQSOUXEO-UHFFFAOYSA-N -1 3 286.375 3.339 20 0 CGADHM O=C(CC/C=C/c1ccccc1)[N-]OCCC1CC1 ZINC000817420888 632148152 /nfs/dbraw/zinc/14/81/52/632148152.db2.gz FCUSBJGECSVOTB-XBXARRHUSA-N -1 3 259.349 3.328 20 0 CGADHM O=C(NOCCC1CC1)c1cc2sccc2c([O-])c1 ZINC000817441250 632158821 /nfs/dbraw/zinc/15/88/21/632158821.db2.gz AQSARADABBWRQD-UHFFFAOYSA-N -1 3 277.345 3.068 20 0 CGADHM Nc1ccc(C(=O)N2CCCC3(CCCCC3)C2)c([O-])c1 ZINC000817938003 632238035 /nfs/dbraw/zinc/23/80/35/632238035.db2.gz BCOKDHURWIBYNE-UHFFFAOYSA-N -1 3 288.391 3.161 20 0 CGADHM CCCC[C@H](NC(=O)c1ccc(N)cc1[O-])C1CCC1 ZINC000817942888 632242307 /nfs/dbraw/zinc/24/23/07/632242307.db2.gz HOVSBUGBGYGLFU-AWEZNQCLSA-N -1 3 276.380 3.063 20 0 CGADHM CCC[C@@H](C)[C@H]1CCCN1C(=O)c1ccc(N)cc1[O-] ZINC000817999202 632275779 /nfs/dbraw/zinc/27/57/79/632275779.db2.gz OZQGLSXWZFQHTQ-BXUZGUMPSA-N -1 3 276.380 3.015 20 0 CGADHM O=C(/C=C/c1ccco1)Nc1c([O-])cccc1Cl ZINC000820509143 632639781 /nfs/dbraw/zinc/63/97/81/632639781.db2.gz BHOBCJUBVTYAIS-VOTSOKGWSA-N -1 3 263.680 3.291 20 0 CGADHM CCCCCCO[C@@H](C)C(=O)Nc1cccc([O-])c1F ZINC000840406751 632682460 /nfs/dbraw/zinc/68/24/60/632682460.db2.gz WRHXPJQZJKFEGR-NSHDSACASA-N -1 3 283.343 3.455 20 0 CGADHM O=C(OCCC[C@H]1CCOC1)c1cccc(Cl)c1[O-] ZINC000828982893 633675692 /nfs/dbraw/zinc/67/56/92/633675692.db2.gz LOCZXSSDAQOIFI-JTQLQIEISA-N -1 3 284.739 3.019 20 0 CGADHM CC(C)C[C@H](C)CC(=O)[N-]OCCCC(F)(F)F ZINC000871211508 633727624 /nfs/dbraw/zinc/72/76/24/633727624.db2.gz UNIYKBFRICYGII-JTQLQIEISA-N -1 3 269.307 3.449 20 0 CGADHM C[C@H]1CCC[C@H]1CC(=O)[N-]OCCCC(F)(F)F ZINC000871214666 633728887 /nfs/dbraw/zinc/72/88/87/633728887.db2.gz IPTDTJBDMVJSBX-UWVGGRQHSA-N -1 3 267.291 3.203 20 0 CGADHM Cc1c2occ([O-])c2ccc1OCc1coc(C2CC2)n1 ZINC000871800147 633872048 /nfs/dbraw/zinc/87/20/48/633872048.db2.gz WVVPOYHPPMGPMH-UHFFFAOYSA-N -1 3 285.299 3.015 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])C1CC2(CC2(F)F)C1 ZINC000830761504 633885623 /nfs/dbraw/zinc/88/56/23/633885623.db2.gz BUVWVCWCTHORIC-UHFFFAOYSA-N -1 3 287.693 3.420 20 0 CGADHM CCOc1cccc(F)c1CN[C@H](C)CCCCC(=O)[O-] ZINC000871877198 633907120 /nfs/dbraw/zinc/90/71/20/633907120.db2.gz ATYWFPVKNMFOJT-GFCCVEGCSA-N -1 3 297.370 3.348 20 0 CGADHM O=C(c1cc2sccc2c([O-])c1)N1OC2CCC1CC2 ZINC000831511098 633969730 /nfs/dbraw/zinc/96/97/30/633969730.db2.gz WFVFOUDGTZFNLD-UHFFFAOYSA-N -1 3 289.356 3.306 20 0 CGADHM COc1ccccc1CO[N-]C(=O)[C@@]1(C)CCC[C@H]1C ZINC000831769931 633998582 /nfs/dbraw/zinc/99/85/82/633998582.db2.gz YJTXPRKKCDZIFM-WBMJQRKESA-N -1 3 277.364 3.069 20 0 CGADHM CC/C=C/CCN1CCc2c(C(=O)[O-])ccc(OC)c2C1 ZINC000872166704 634073455 /nfs/dbraw/zinc/07/34/55/634073455.db2.gz OATWOMSYJOBXBF-SNAWJCMRSA-N -1 3 289.375 3.108 20 0 CGADHM O=C(OCc1cc(=O)[n-]c(-c2ccccc2)n1)C1CCCC1 ZINC000837336194 634890013 /nfs/dbraw/zinc/89/00/13/634890013.db2.gz YCGXPWMECXDMIP-UHFFFAOYSA-N -1 3 298.342 3.083 20 0 CGADHM CC(C)(C)CCCC(=O)OCc1cc(=O)[n-]c(C2CC2)n1 ZINC000837503289 634921487 /nfs/dbraw/zinc/92/14/87/634921487.db2.gz FHSOELZJOKVWMK-UHFFFAOYSA-N -1 3 292.379 3.319 20 0 CGADHM CCC(CC)[C@H](C)C(=O)OCc1cc(=O)[n-]c(C2CC2)n1 ZINC000837603482 634947311 /nfs/dbraw/zinc/94/73/11/634947311.db2.gz CKXLZBPIAUEVRA-JTQLQIEISA-N -1 3 292.379 3.175 20 0 CGADHM C[C@H](CN(C)C(=O)c1ccc(N)cc1[O-])C1CCCCC1 ZINC000877060087 634966629 /nfs/dbraw/zinc/96/66/29/634966629.db2.gz UKBGFNWAJIDDOG-GFCCVEGCSA-N -1 3 290.407 3.263 20 0 CGADHM O=C([O-])C[C@@H](NCc1cc(Cl)sc1Cl)C1CC1 ZINC000841803567 635236745 /nfs/dbraw/zinc/23/67/45/635236745.db2.gz SFDISRGOBFOHQS-MRVPVSSYSA-N -1 3 294.203 3.398 20 0 CGADHM O=C1N[C@H](c2ccc([O-])cc2F)Nc2cccc(Cl)c21 ZINC000877853569 635241539 /nfs/dbraw/zinc/24/15/39/635241539.db2.gz LCRCLGIYVNNGKY-CYBMUJFWSA-N -1 3 292.697 3.039 20 0 CGADHM CC(C)CSCCCO[N-]C(=O)CC(C)(C)C ZINC000842061961 635271640 /nfs/dbraw/zinc/27/16/40/635271640.db2.gz UYZDTQBJSJTCKK-UHFFFAOYSA-N -1 3 261.431 3.250 20 0 CGADHM COc1ccc2c(c1)CCCN2C(=O)c1cccc(C)c1[O-] ZINC000843784879 635780058 /nfs/dbraw/zinc/78/00/58/635780058.db2.gz LRBMEALOVXXPIM-UHFFFAOYSA-N -1 3 297.354 3.302 20 0 CGADHM C[C@H]1SCC[C@H]1NC(=O)c1cc2sccc2c([O-])c1 ZINC000844104350 635822858 /nfs/dbraw/zinc/82/28/58/635822858.db2.gz BFCJCQPXXFBEHE-LDYMZIIASA-N -1 3 293.413 3.231 20 0 CGADHM Cc1ccc(C(=O)NCC[C@@]2(C)C[C@]2(F)Cl)c([O-])c1 ZINC000844817048 635969784 /nfs/dbraw/zinc/96/97/84/635969784.db2.gz NQAVZLPCMZXLHC-UONOGXRCSA-N -1 3 285.746 3.135 20 0 CGADHM COc1ccc2c(c1)C[C@H](C)N(C/C=C(/C)C(=O)[O-])[C@H]2C ZINC000846258900 636169317 /nfs/dbraw/zinc/16/93/17/636169317.db2.gz LHKWLUPACIQUMV-LVRHIEOCSA-N -1 3 289.375 3.034 20 0 CGADHM COc1ccc([C@@H]2CCCN2C/C=C(\C)C(=O)[O-])cc1F ZINC000849346183 636816551 /nfs/dbraw/zinc/81/65/51/636816551.db2.gz QEXVBMCWJHNBQS-OIOXUXFSSA-N -1 3 293.338 3.002 20 0 CGADHM CSc1ccccc1COC(=O)c1cccc2nn[n-]c21 ZINC000800208308 636957465 /nfs/dbraw/zinc/95/74/65/636957465.db2.gz LKHRMKGEWMWMQQ-UHFFFAOYSA-N -1 3 299.355 3.037 20 0 CGADHM CSc1ccccc1COC(=O)c1cccc2[n-]nnc21 ZINC000800208308 636957478 /nfs/dbraw/zinc/95/74/78/636957478.db2.gz LKHRMKGEWMWMQQ-UHFFFAOYSA-N -1 3 299.355 3.037 20 0 CGADHM CSc1ccccc1COC(=O)c1cccc2n[n-]nc21 ZINC000800208308 636957485 /nfs/dbraw/zinc/95/74/85/636957485.db2.gz LKHRMKGEWMWMQQ-UHFFFAOYSA-N -1 3 299.355 3.037 20 0 CGADHM O=C(CSC(F)(F)F)Nc1cc(Cl)ccc1[O-] ZINC000109091633 636959465 /nfs/dbraw/zinc/95/94/65/636959465.db2.gz ZIBTVPILRSLQHV-UHFFFAOYSA-N -1 3 285.674 3.237 20 0 CGADHM Nc1ccc(C(=O)N2CC[C@@H](C3CCCCC3)C2)c([O-])c1 ZINC000852853421 637719594 /nfs/dbraw/zinc/71/95/94/637719594.db2.gz DPEGBSMJFLIUTQ-CYBMUJFWSA-N -1 3 288.391 3.017 20 0 CGADHM C[C@@H]1N(C(=O)c2ccc(N)cc2[O-])c2ccccc2C1(C)C ZINC000852909792 637722566 /nfs/dbraw/zinc/72/25/66/637722566.db2.gz AESPROVDQIKGHF-NSHDSACASA-N -1 3 296.370 3.301 20 0 CGADHM CCOC([O-])=NOC[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000853726781 637902274 /nfs/dbraw/zinc/90/22/74/637902274.db2.gz NCNWNWNQWIZTRW-TZMCWYRMSA-N -1 3 263.337 3.248 20 0 CGADHM CCOC(=O)[N-]OC[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000853726781 637902278 /nfs/dbraw/zinc/90/22/78/637902278.db2.gz NCNWNWNQWIZTRW-TZMCWYRMSA-N -1 3 263.337 3.248 20 0 CGADHM CCC(F)(F)C(=O)[N-][C@H](Cc1ccccc1)c1ncco1 ZINC000855056598 638138495 /nfs/dbraw/zinc/13/84/95/638138495.db2.gz PSRJPVUWWCGKCO-GFCCVEGCSA-N -1 3 294.301 3.120 20 0 CGADHM CC(C)N1CCC[C@@H]1c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000924007412 638288197 /nfs/dbraw/zinc/28/81/97/638288197.db2.gz NAFQMRGIJFLVDV-GFCCVEGCSA-N -1 3 291.326 3.127 20 0 CGADHM O=C(c1cc([O-])c2ccccc2c1)N1CC[C@H]2C[C@H]2C1 ZINC000856066574 638292589 /nfs/dbraw/zinc/29/25/89/638292589.db2.gz VZDUDBPXOOKXMI-FZMZJTMJSA-N -1 3 267.328 3.027 20 0 CGADHM CCn1cc(Cl)c(NC(=O)c2ccc(C)c(C)c2[O-])n1 ZINC000924794430 638405462 /nfs/dbraw/zinc/40/54/62/638405462.db2.gz PWZCSSMNBMHQPE-UHFFFAOYSA-N -1 3 293.754 3.131 20 0 CGADHM CCc1cnc(CN[C@H](C)c2cc([O-])cc(F)c2)s1 ZINC000925166006 638466753 /nfs/dbraw/zinc/46/67/53/638466753.db2.gz XWYJPFHUXWAKOE-SECBINFHSA-N -1 3 280.368 3.401 20 0 CGADHM CCc1nc(C)c(CN[C@@H](C)c2cc([O-])cc(F)c2)o1 ZINC000926477196 638774846 /nfs/dbraw/zinc/77/48/46/638774846.db2.gz KPHQMTLKRIOMON-VIFPVBQESA-N -1 3 278.327 3.241 20 0 CGADHM O=c1nc(Cl)cc(S[C@@H]2CCc3ccccc3C2)[n-]1 ZINC000858622763 639003860 /nfs/dbraw/zinc/00/38/60/639003860.db2.gz YTYVQAKMNIKJGE-LLVKDONJSA-N -1 3 292.791 3.485 20 0 CGADHM CCCCC1(C(=O)Nc2cccc([O-])c2F)CC1 ZINC000935137826 639754849 /nfs/dbraw/zinc/75/48/49/639754849.db2.gz NUZGIKSASOFTIS-UHFFFAOYSA-N -1 3 251.301 3.440 20 0 CGADHM CSc1ccc(CCC(=O)[N-]OC2CCCC2)cc1 ZINC000935240913 639773524 /nfs/dbraw/zinc/77/35/24/639773524.db2.gz WYVVUGRMBJWUHV-UHFFFAOYSA-N -1 3 279.405 3.332 20 0 CGADHM Cc1ccccc1CSCCC[N-]C(=O)C(F)(F)F ZINC000158867814 640020649 /nfs/dbraw/zinc/02/06/49/640020649.db2.gz DHQKDLFIXCMHAJ-UHFFFAOYSA-N -1 3 291.338 3.297 20 0 CGADHM O=C(NCc1ncccc1[O-])c1cccc2c(F)cccc12 ZINC001156104502 805654308 /nfs/dbraw/zinc/65/43/08/805654308.db2.gz PYBMWDFGQGRUGW-UHFFFAOYSA-N -1 3 296.301 3.010 20 0 CGADHM CCOc1cccc2[nH]c(-c3cc(F)ccc3[O-])nc21 ZINC001250837035 805786588 /nfs/dbraw/zinc/78/65/88/805786588.db2.gz AUGFITNWVQUUNM-UHFFFAOYSA-N -1 3 272.279 3.473 20 0 CGADHM COc1cc(C)c([N-]S(=O)(=O)c2ccccc2)c(C)c1 ZINC001251146401 805854758 /nfs/dbraw/zinc/85/47/58/805854758.db2.gz XVBMYVVSIFZKIZ-UHFFFAOYSA-N -1 3 291.372 3.113 20 0 CGADHM CCc1cccc(NC(=O)c2cccc(C)c2[O-])c1O ZINC001157813700 805877781 /nfs/dbraw/zinc/87/77/81/805877781.db2.gz LEHJMNUNSQCCKE-UHFFFAOYSA-N -1 3 271.316 3.221 20 0 CGADHM COc1ccc(-c2nnc(-c3c([O-])cc(C)cc3O)o2)cc1 ZINC001252022980 805976861 /nfs/dbraw/zinc/97/68/61/805976861.db2.gz RGLKQJCKXLDRAM-UHFFFAOYSA-N -1 3 298.298 3.132 20 0 CGADHM CSc1cc(Cl)cnc1NCc1ncccc1[O-] ZINC001158774349 806002541 /nfs/dbraw/zinc/00/25/41/806002541.db2.gz MLLHXSNEAVQRRB-UHFFFAOYSA-N -1 3 281.768 3.170 20 0 CGADHM CC(C)=C[C@@H]1[C@@H](C(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)C1(C)C ZINC001159055910 806036523 /nfs/dbraw/zinc/03/65/23/806036523.db2.gz FLRPFCKTXDLDBP-OCCSQVGLSA-N -1 3 299.374 3.445 20 0 CGADHM COc1cccc(-c2nnc(-c3ccc(C)cc3)o2)c1[O-] ZINC001252608313 806085803 /nfs/dbraw/zinc/08/58/03/806085803.db2.gz NYAUNGDVBWFWKE-UHFFFAOYSA-N -1 3 282.299 3.426 20 0 CGADHM [O-]c1cccc(NC[C@@H](O)c2ccc(F)cc2)c1Cl ZINC001252854310 806133341 /nfs/dbraw/zinc/13/33/41/806133341.db2.gz VEITUDFYFORISX-CYBMUJFWSA-N -1 3 281.714 3.330 20 0 CGADHM O=S(=O)(Cc1ccccc1)[N-]c1cccc2occc21 ZINC001252893867 806137532 /nfs/dbraw/zinc/13/75/32/806137532.db2.gz ZFFCDRDHSWSXFZ-UHFFFAOYSA-N -1 3 287.340 3.375 20 0 CGADHM [O-]c1ccc(Cc2nnc(Cc3ccccc3)o2)cc1F ZINC001253484457 806227175 /nfs/dbraw/zinc/22/71/75/806227175.db2.gz WXXCJMYMBQLJFY-UHFFFAOYSA-N -1 3 284.290 3.096 20 0 CGADHM Cc1ccc([O-])c(-c2nnc(-c3cccc(Cl)c3)o2)n1 ZINC001253787857 806310683 /nfs/dbraw/zinc/31/06/83/806310683.db2.gz DMBHGOUSFZWTFH-UHFFFAOYSA-N -1 3 287.706 3.466 20 0 CGADHM CCCCS(=O)(=O)[N-]c1c(F)cccc1OC(C)C ZINC001253870980 806317279 /nfs/dbraw/zinc/31/72/79/806317279.db2.gz HCVJZVMFKJCAFG-UHFFFAOYSA-N -1 3 289.372 3.155 20 0 CGADHM CC(=O)c1cc(-c2nnc(-c3cccc(F)c3)o2)ccc1[O-] ZINC001254141009 806350203 /nfs/dbraw/zinc/35/02/03/806350203.db2.gz RXBNXVRMWVEPNO-UHFFFAOYSA-N -1 3 298.273 3.451 20 0 CGADHM [O-]c1ccc(Cc2nnc(-c3cccc(F)c3)o2)c(F)c1 ZINC001254165932 806357711 /nfs/dbraw/zinc/35/77/11/806357711.db2.gz LZZVTHHGLSZGGX-UHFFFAOYSA-N -1 3 288.253 3.311 20 0 CGADHM CC(C)(C)OC(=O)N1CCCC[C@@H](NC2=CC=C[CH]2)C1 ZINC001254192128 806360801 /nfs/dbraw/zinc/36/08/01/806360801.db2.gz NZNDXSCJSNMLTI-CQSZACIVSA-N -1 3 277.388 3.024 20 0 CGADHM COc1ccc(Cc2nnc(-c3ccccc3[O-])o2)cc1 ZINC001254719520 806486135 /nfs/dbraw/zinc/48/61/35/806486135.db2.gz OEVOLWIHRCHPBD-UHFFFAOYSA-N -1 3 282.299 3.042 20 0 CGADHM [O-]c1cc(Br)cnc1Nc1ccccc1 ZINC000082317278 798935908 /nfs/dbraw/zinc/93/59/08/798935908.db2.gz QQQUCUZPXMLKRV-UHFFFAOYSA-N -1 3 265.110 3.293 20 0 CGADHM CCSc1ccc(Cl)cc1[N-]C(=O)c1n[nH]nc1C ZINC000188923487 799120999 /nfs/dbraw/zinc/12/09/99/799120999.db2.gz UZZBYZHBMGAFRZ-UHFFFAOYSA-N -1 3 296.783 3.131 20 0 CGADHM C[C@@H](CN1Cc2ccccc2[C@H](C(=O)[O-])C1)C(C)(C)C ZINC000383227280 799401787 /nfs/dbraw/zinc/40/17/87/799401787.db2.gz ALHPISZEANFRCF-SWLSCSKDSA-N -1 3 275.392 3.353 20 0 CGADHM Cc1scc(CNCc2ccc(CC(=O)[O-])cc2)c1C ZINC000399825414 799542275 /nfs/dbraw/zinc/54/22/75/799542275.db2.gz YPLQNUTWPLBIND-UHFFFAOYSA-N -1 3 289.400 3.282 20 0 CGADHM O=C([O-])c1ccc(CN2CCC3(CC3(F)F)CC2)s1 ZINC000405102359 799581450 /nfs/dbraw/zinc/58/14/50/799581450.db2.gz VTVDVUBKVYVLJF-UHFFFAOYSA-N -1 3 287.331 3.068 20 0 CGADHM O=C(Nc1cccc(Cl)c1)c1cc2c(cc1[O-])OCO2 ZINC000436753522 799612568 /nfs/dbraw/zinc/61/25/68/799612568.db2.gz VUCVMLJGFJIPHI-UHFFFAOYSA-N -1 3 291.690 3.027 20 0 CGADHM Cc1ccc(-c2noc(-c3c(C)cccc3[O-])n2)nc1 ZINC000706630955 799964663 /nfs/dbraw/zinc/96/46/63/799964663.db2.gz NQORCHAMCZVDCH-UHFFFAOYSA-N -1 3 267.288 3.121 20 0 CGADHM CCCCCc1nnc(-c2nc3ccc(Cl)[n-]c-3n2)o1 ZINC001256079818 806814962 /nfs/dbraw/zinc/81/49/62/806814962.db2.gz NOJUDQMAXXMYNF-UHFFFAOYSA-N -1 3 291.742 3.394 20 0 CGADHM CCCCCc1nnc(-c2nc3nc(Cl)ccc3[n-]2)o1 ZINC001256079818 806814969 /nfs/dbraw/zinc/81/49/69/806814969.db2.gz NOJUDQMAXXMYNF-UHFFFAOYSA-N -1 3 291.742 3.394 20 0 CGADHM CCCCCc1nnc(-c2nc3ccc(Cl)nc3[n-]2)o1 ZINC001256079818 806814974 /nfs/dbraw/zinc/81/49/74/806814974.db2.gz NOJUDQMAXXMYNF-UHFFFAOYSA-N -1 3 291.742 3.394 20 0 CGADHM CCCOc1ccc(-c2nnc(-c3cncc([O-])c3)o2)cc1 ZINC001256282833 806855393 /nfs/dbraw/zinc/85/53/93/806855393.db2.gz POIBFBYJZSMACM-UHFFFAOYSA-N -1 3 297.314 3.293 20 0 CGADHM CSc1ccc([O-])c(C(=O)NCC2CCC(F)CC2)c1 ZINC001164500147 806952793 /nfs/dbraw/zinc/95/27/93/806952793.db2.gz NQQHHTPNYCDUAQ-UHFFFAOYSA-N -1 3 297.395 3.372 20 0 CGADHM CC(C)(C)O[N-]C(=O)CC[C@@H]1CCc2ccccc21 ZINC001119260005 802639906 /nfs/dbraw/zinc/63/99/06/802639906.db2.gz WNPUTNYLBHUPMN-ZDUSSCGKSA-N -1 3 261.365 3.343 20 0 CGADHM CCc1cccc(C(=O)N2CC(F)(F)CC[C@@H]2C)c1[O-] ZINC001120821393 802783833 /nfs/dbraw/zinc/78/38/33/802783833.db2.gz IKBFQJPOYFHDKV-JTQLQIEISA-N -1 3 283.318 3.214 20 0 CGADHM Cc1c(-c2c([O-])cccc2Cl)cnc2nccnc12 ZINC001244032888 803151871 /nfs/dbraw/zinc/15/18/71/803151871.db2.gz BMGGGCKBPLLERM-UHFFFAOYSA-N -1 3 271.707 3.359 20 0 CGADHM COc1ccc(-c2c([O-])cccc2Cl)c(OC)n1 ZINC001244033774 803153355 /nfs/dbraw/zinc/15/33/55/803153355.db2.gz QCCXCQJHHBFMDA-UHFFFAOYSA-N -1 3 265.696 3.125 20 0 CGADHM Cc1ccc(-c2c(O)cccc2Cl)cc1-c1nn[n-]n1 ZINC001244048902 803160834 /nfs/dbraw/zinc/16/08/34/803160834.db2.gz WENRWVNZGCQRJH-UHFFFAOYSA-N -1 3 286.722 3.201 20 0 CGADHM Cc1ccc(-c2ccc(Cl)cc2N)cc1-c1nnn[n-]1 ZINC001244201085 803240879 /nfs/dbraw/zinc/24/08/79/803240879.db2.gz TVJQEJFZSVFMEH-UHFFFAOYSA-N -1 3 285.738 3.078 20 0 CGADHM Cc1ccc(-c2ccc(Cl)cc2N)cc1-c1nn[n-]n1 ZINC001244201085 803240883 /nfs/dbraw/zinc/24/08/83/803240883.db2.gz TVJQEJFZSVFMEH-UHFFFAOYSA-N -1 3 285.738 3.078 20 0 CGADHM Cc1cnc(-c2cc(C)c(F)c([O-])c2)nc1N1CCCC1 ZINC001244495785 803403736 /nfs/dbraw/zinc/40/37/36/803403736.db2.gz JONKVOORCCPKGG-UHFFFAOYSA-N -1 3 287.338 3.205 20 0 CGADHM Cc1cc(-c2ccc3c(c2)CC(=O)N3)cc([O-])c1F ZINC001244516735 803413523 /nfs/dbraw/zinc/41/35/23/803413523.db2.gz CZVRTAJSILPPGB-UHFFFAOYSA-N -1 3 257.264 3.001 20 0 CGADHM Cc1nc2ncc(-c3cc(C)c(F)c([O-])c3)cc2o1 ZINC001244514764 803414158 /nfs/dbraw/zinc/41/41/58/803414158.db2.gz BPUKOZHKUBPHBG-UHFFFAOYSA-N -1 3 258.252 3.351 20 0 CGADHM Cc1cc(-c2ccc3c(c2)CC(=O)N3C)cc([O-])c1F ZINC001244519321 803414981 /nfs/dbraw/zinc/41/49/81/803414981.db2.gz YRTSGVXKDCULSW-UHFFFAOYSA-N -1 3 271.291 3.026 20 0 CGADHM Cc1cc(-c2cnc(OC(F)(F)F)cn2)cc([O-])c1F ZINC001244518330 803415580 /nfs/dbraw/zinc/41/55/80/803415580.db2.gz SZKFRHXFTVGVPV-UHFFFAOYSA-N -1 3 288.200 3.195 20 0 CGADHM Cc1cc(-c2ccc3c(c2)N(C)C(=O)C3)cc([O-])c1F ZINC001244524947 803417181 /nfs/dbraw/zinc/41/71/81/803417181.db2.gz JOMYHNDRRBXGRB-UHFFFAOYSA-N -1 3 271.291 3.026 20 0 CGADHM Cc1cc(-c2cc3c(c(F)c2)C(=O)OC3)cc([O-])c1F ZINC001244525369 803418138 /nfs/dbraw/zinc/41/81/38/803418138.db2.gz MJGJWUWVPIXWCO-UHFFFAOYSA-N -1 3 276.238 3.316 20 0 CGADHM CC(=O)Nc1cc(C)c(-c2cc(C)c(F)c([O-])c2)cn1 ZINC001244525244 803418387 /nfs/dbraw/zinc/41/83/87/803418387.db2.gz NCSZWXBZBICEKP-UHFFFAOYSA-N -1 3 274.295 3.169 20 0 CGADHM Cc1cc(-c2cc(=O)n(C)c3ccccc23)cc([O-])c1F ZINC001244526326 803419895 /nfs/dbraw/zinc/41/98/95/803419895.db2.gz XEHNXPFPNRHKCP-UHFFFAOYSA-N -1 3 283.302 3.359 20 0 CGADHM Cc1cc(-c2ccn3cc(N)nc3c2)cc(Cl)c1[O-] ZINC001244536911 803423545 /nfs/dbraw/zinc/42/35/45/803423545.db2.gz BDTYIWITTPKODB-UHFFFAOYSA-N -1 3 273.723 3.251 20 0 CGADHM Cc1cc(-c2cccc3c2CNC3=O)cc(Cl)c1[O-] ZINC001244537165 803424197 /nfs/dbraw/zinc/42/41/97/803424197.db2.gz IJUTUAMLDJDJGM-UHFFFAOYSA-N -1 3 273.719 3.264 20 0 CGADHM Cc1cc(-c2ccnc(N(C)C)c2)cc(Cl)c1[O-] ZINC001244538622 803426444 /nfs/dbraw/zinc/42/64/44/803426444.db2.gz VEYSAEXWOBZOBY-UHFFFAOYSA-N -1 3 262.740 3.482 20 0 CGADHM COC(=O)c1cnccc1-c1cc(C)c([O-])c(Cl)c1 ZINC001244550793 803433737 /nfs/dbraw/zinc/43/37/37/803433737.db2.gz MJISARLRDLAPBX-UHFFFAOYSA-N -1 3 277.707 3.203 20 0 CGADHM Cc1cc(-c2cccc(CCC(N)=O)c2)cc(Cl)c1[O-] ZINC001244550671 803433753 /nfs/dbraw/zinc/43/37/53/803433753.db2.gz HWHPSMQAFFOGBC-UHFFFAOYSA-N -1 3 289.762 3.439 20 0 CGADHM O=C([N-]c1cc(Cl)cc(Cl)c1F)c1cocn1 ZINC001132795862 803435573 /nfs/dbraw/zinc/43/55/73/803435573.db2.gz AOLKTUUAPDLTBY-UHFFFAOYSA-N -1 3 275.066 3.373 20 0 CGADHM COc1c(F)cc(-c2ccc(=S)[n-]n2)cc1Cl ZINC001244695426 803500937 /nfs/dbraw/zinc/50/09/37/803500937.db2.gz QMTYEIGSMVYASS-UHFFFAOYSA-N -1 3 270.716 3.233 20 0 CGADHM Fc1cccc2oc(-c3cccc(-c4nnn[n-]4)c3)cc21 ZINC001244926395 803579338 /nfs/dbraw/zinc/57/93/38/803579338.db2.gz FENUPZILRYOKOY-UHFFFAOYSA-N -1 3 280.262 3.419 20 0 CGADHM Fc1cccc2oc(-c3cccc(-c4nn[n-]n4)c3)cc21 ZINC001244926395 803579341 /nfs/dbraw/zinc/57/93/41/803579341.db2.gz FENUPZILRYOKOY-UHFFFAOYSA-N -1 3 280.262 3.419 20 0 CGADHM Cc1cc(-c2nn[n-]n2)ccc1-c1cc(Cl)ccc1O ZINC001245058091 803625560 /nfs/dbraw/zinc/62/55/60/803625560.db2.gz RWXKSUBXPQZOIM-UHFFFAOYSA-N -1 3 286.722 3.201 20 0 CGADHM COC(=O)c1cc(C)nc(-c2ccc([O-])cc2Cl)c1 ZINC001245081183 803636380 /nfs/dbraw/zinc/63/63/80/803636380.db2.gz BRZMLVJQISXQBZ-UHFFFAOYSA-N -1 3 277.707 3.203 20 0 CGADHM Fc1ccc(Cl)c(-c2cccc(-c3nnn[n-]3)c2)c1 ZINC001245135411 803648329 /nfs/dbraw/zinc/64/83/29/803648329.db2.gz GCZUTPZXTGLGOE-UHFFFAOYSA-N -1 3 274.686 3.326 20 0 CGADHM Fc1ccc(Cl)c(-c2cccc(-c3nn[n-]n3)c2)c1 ZINC001245135411 803648331 /nfs/dbraw/zinc/64/83/31/803648331.db2.gz GCZUTPZXTGLGOE-UHFFFAOYSA-N -1 3 274.686 3.326 20 0 CGADHM Fc1ccc(Cl)c(-c2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC001245136365 803648467 /nfs/dbraw/zinc/64/84/67/803648467.db2.gz UOZDSBHTMWLKPT-UHFFFAOYSA-N -1 3 292.676 3.465 20 0 CGADHM Fc1ccc(Cl)c(-c2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC001245136365 803648470 /nfs/dbraw/zinc/64/84/70/803648470.db2.gz UOZDSBHTMWLKPT-UHFFFAOYSA-N -1 3 292.676 3.465 20 0 CGADHM CCC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(OC)cc1[O-] ZINC001136622917 803648725 /nfs/dbraw/zinc/64/87/25/803648725.db2.gz WSKCDRZDDCUFGG-DOMZBBRYSA-N -1 3 291.391 3.490 20 0 CGADHM CO[C@@H](CNC(=O)c1ccc(C(C)C)cc1[O-])C(C)(C)C ZINC001136968345 803664093 /nfs/dbraw/zinc/66/40/93/803664093.db2.gz JSXJKUVIBJJZED-HNNXBMFYSA-N -1 3 293.407 3.307 20 0 CGADHM Cc1ccc(NC(=S)NCC(C)C)c(Cl)c1[O-] ZINC001245245916 803678087 /nfs/dbraw/zinc/67/80/87/803678087.db2.gz VNCFBNZVROLIMX-UHFFFAOYSA-N -1 3 272.801 3.296 20 0 CGADHM [O-]c1ccc(Nc2ncc(C(F)(F)F)cn2)c(F)c1F ZINC001211998029 814964331 /nfs/dbraw/zinc/96/43/31/814964331.db2.gz XSUOTFBECDVFFF-UHFFFAOYSA-N -1 3 291.179 3.223 20 0 CGADHM O=C(CCCCc1ccccc1)Nc1ncccc1[O-] ZINC001138165164 803870280 /nfs/dbraw/zinc/87/02/80/803870280.db2.gz LMWQTDDOANECSE-UHFFFAOYSA-N -1 3 270.332 3.139 20 0 CGADHM CC(C)(C)NC(=O)c1cncc(-c2c([O-])cccc2F)c1 ZINC001245653883 803885199 /nfs/dbraw/zinc/88/51/99/803885199.db2.gz GWAIXYOXGWCEPB-UHFFFAOYSA-N -1 3 288.322 3.122 20 0 CGADHM COC(=O)c1cc2cc(-c3c([O-])cccc3F)ccc2[nH]1 ZINC001245654493 803886601 /nfs/dbraw/zinc/88/66/01/803886601.db2.gz SLLMUFUQCHUCLP-UHFFFAOYSA-N -1 3 285.274 3.466 20 0 CGADHM Nc1cnc2c(cccc2-c2c([O-])cccc2F)c1 ZINC001245655403 803887964 /nfs/dbraw/zinc/88/79/64/803887964.db2.gz CREAFCDYMKQFPQ-UHFFFAOYSA-N -1 3 254.264 3.329 20 0 CGADHM COCOc1ccc(OC)cc1-c1c([O-])cccc1F ZINC001245655279 803888944 /nfs/dbraw/zinc/88/89/44/803888944.db2.gz BMIXZUMNESPZIF-UHFFFAOYSA-N -1 3 278.279 3.190 20 0 CGADHM COC(=O)c1c(F)cc(-c2c([O-])cccc2F)cc1F ZINC001245656595 803891421 /nfs/dbraw/zinc/89/14/21/803891421.db2.gz PYZXSPJPQXYHDU-UHFFFAOYSA-N -1 3 282.217 3.263 20 0 CGADHM Cc1c(F)ccc(-c2cccc(-c3nnn[n-]3)c2)c1F ZINC001245692639 803913500 /nfs/dbraw/zinc/91/35/00/803913500.db2.gz MYNQZSYTXWERKR-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM Cc1c(F)ccc(-c2cccc(-c3nn[n-]n3)c2)c1F ZINC001245692639 803913502 /nfs/dbraw/zinc/91/35/02/803913502.db2.gz MYNQZSYTXWERKR-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM Cc1[nH]c(CN(C)Cc2ccc(C)cc2)c(C)c1C(=O)[O-] ZINC001140495564 804446467 /nfs/dbraw/zinc/44/64/67/804446467.db2.gz WFBHFUXLRZBHES-UHFFFAOYSA-N -1 3 286.375 3.270 20 0 CGADHM Cc1nc2c(cccc2NC(=O)c2cc(C)ccc2[O-])o1 ZINC001140672673 804487217 /nfs/dbraw/zinc/48/72/17/804487217.db2.gz YWJAKNCEAIPLCJ-UHFFFAOYSA-N -1 3 282.299 3.403 20 0 CGADHM [O-]c1ccc(CN2C[C@H]3[C@H](CCC3(F)F)C2)c(F)c1F ZINC001140888792 804542723 /nfs/dbraw/zinc/54/27/23/804542723.db2.gz XMQCZBWPDMANCT-SCZZXKLOSA-N -1 3 289.272 3.148 20 0 CGADHM C[C@@H]1CCN(Cc2ccc([O-])c(F)c2F)[C@@H](C)C1 ZINC001140894039 804546156 /nfs/dbraw/zinc/54/61/56/804546156.db2.gz OSVVOQLQVHTKCN-ZJUUUORDSA-N -1 3 255.308 3.291 20 0 CGADHM [O-]c1c(F)cc(CN2CC[C@H](c3cccnc3)C2)cc1F ZINC001140990927 804564643 /nfs/dbraw/zinc/56/46/43/804564643.db2.gz DFGPCVVWXYNDJZ-ZDUSSCGKSA-N -1 3 290.313 3.055 20 0 CGADHM [O-]c1c(F)cc(CN2CC3(C2)CCCCC3)cc1F ZINC001140990521 804564742 /nfs/dbraw/zinc/56/47/42/804564742.db2.gz DUPKJSXJJYJZHO-UHFFFAOYSA-N -1 3 267.319 3.437 20 0 CGADHM [O-]c1cc(Cl)c(CN2CC[C@]23CCOC3)c(Cl)c1 ZINC001142118424 804696085 /nfs/dbraw/zinc/69/60/85/804696085.db2.gz KXJCKCQPNXHESX-CYBMUJFWSA-N -1 3 288.174 3.064 20 0 CGADHM CC(=O)c1cccc([O-])c1NC(=O)[C@@]1(C)CC=CCC1 ZINC001142548788 804737416 /nfs/dbraw/zinc/73/74/16/804737416.db2.gz TZNJVGRZVPGPHS-INIZCTEOSA-N -1 3 273.332 3.280 20 0 CGADHM [O-]c1c(F)cc(F)cc1Nc1cn(CC(F)(F)F)cn1 ZINC001212484086 815037395 /nfs/dbraw/zinc/03/73/95/815037395.db2.gz JGJYPWGEMKWLCM-UHFFFAOYSA-N -1 3 293.195 3.173 20 0 CGADHM [O-]c1cc(F)c(CN2CCC3(CCCC3)C2)c(F)c1 ZINC001144554995 805004949 /nfs/dbraw/zinc/00/49/49/805004949.db2.gz QJOOPQUFIBBAEC-UHFFFAOYSA-N -1 3 267.319 3.437 20 0 CGADHM [O-]c1cc(F)c(CN2CC[C@@H](c3cccnc3)C2)c(F)c1 ZINC001144554982 805005128 /nfs/dbraw/zinc/00/51/28/805005128.db2.gz POZKXUMKCBAPRA-GFCCVEGCSA-N -1 3 290.313 3.055 20 0 CGADHM Cc1ccccc1CN(C)Cc1sccc1C(=O)[O-] ZINC001144670130 805031542 /nfs/dbraw/zinc/03/15/42/805031542.db2.gz FCQZQVSAAKWCQS-UHFFFAOYSA-N -1 3 275.373 3.387 20 0 CGADHM O=C([O-])c1ccsc1CN1CC[C@@H]1c1ccccc1 ZINC001144677546 805032140 /nfs/dbraw/zinc/03/21/40/805032140.db2.gz UURNKCCIQAAEJK-CYBMUJFWSA-N -1 3 273.357 3.393 20 0 CGADHM COc1cc(C(=O)[N-]c2cc3ccccc3s2)on1 ZINC001146932702 805098116 /nfs/dbraw/zinc/09/81/16/805098116.db2.gz WFXJDKSAASSHRF-UHFFFAOYSA-N -1 3 274.301 3.150 20 0 CGADHM CC1=C(C(=O)Nc2cc([O-])cc(Cl)c2)SC(C)N1 ZINC001147740668 805148948 /nfs/dbraw/zinc/14/89/48/805148948.db2.gz GUADVVVSFQJICX-UHFFFAOYSA-N -1 3 283.760 3.061 20 0 CGADHM CC1=C(C)C[C@](C)(C(=O)[N-]OCC2CCC2)CC1 ZINC001148106575 805163027 /nfs/dbraw/zinc/16/30/27/805163027.db2.gz AGQMULSYZLMGKZ-OAHLLOKOSA-N -1 3 251.370 3.361 20 0 CGADHM COc1ccc2c(c1)[C@@H](NC(=O)c1ccc(C)cc1[O-])CC2 ZINC001148508159 805193109 /nfs/dbraw/zinc/19/31/09/805193109.db2.gz XSZPQGCJAAMXET-INIZCTEOSA-N -1 3 297.354 3.127 20 0 CGADHM CC(=O)c1cc(C(=O)Nc2cccc(C(C)C)n2)ccc1[O-] ZINC001148655735 805204831 /nfs/dbraw/zinc/20/48/31/805204831.db2.gz HRVPUWYOCDVBAA-UHFFFAOYSA-N -1 3 298.342 3.366 20 0 CGADHM COc1cc(Nc2cccc([O-])c2Cl)ccc1N ZINC001249721891 805225467 /nfs/dbraw/zinc/22/54/67/805225467.db2.gz PFXWHWNWWJZLJL-UHFFFAOYSA-N -1 3 264.712 3.380 20 0 CGADHM Cc1cc(Cl)nc(C(=O)Nc2cccc([O-])c2F)c1 ZINC001151092724 805281286 /nfs/dbraw/zinc/28/12/86/805281286.db2.gz LGQMEFQOCWISMJ-UHFFFAOYSA-N -1 3 280.686 3.140 20 0 CGADHM CC(C)(Nc1ccccc1)C(=O)Nc1cccc([O-])c1F ZINC001151098476 805281580 /nfs/dbraw/zinc/28/15/80/805281580.db2.gz WCFRUADNCLHMHB-UHFFFAOYSA-N -1 3 288.322 3.361 20 0 CGADHM [O-]c1cc(Nc2cccc(O)c2F)c(F)cc1F ZINC001212550218 815063785 /nfs/dbraw/zinc/06/37/85/815063785.db2.gz BCDWMSKOJAJTMY-UHFFFAOYSA-N -1 3 255.195 3.259 20 0 CGADHM [O-]c1c(F)cc(F)cc1CCOc1ccccc1 ZINC001249935745 805314559 /nfs/dbraw/zinc/31/45/59/805314559.db2.gz PRTYTHIGBBQKJE-UHFFFAOYSA-N -1 3 250.244 3.292 20 0 CGADHM O=C(CCCCc1ccccc1)[N-]OC1CCCC1 ZINC001152465214 805351735 /nfs/dbraw/zinc/35/17/35/805351735.db2.gz ZNGNHMJUMFUYFO-UHFFFAOYSA-N -1 3 261.365 3.390 20 0 CGADHM [O-]c1ccc(-c2nc(-c3ccc4ccccc4n3)no2)nc1 ZINC001212558795 815068825 /nfs/dbraw/zinc/06/88/25/815068825.db2.gz FWFSETUHTGYMEE-UHFFFAOYSA-N -1 3 290.282 3.052 20 0 CGADHM O=c1ccc(Nc2cc(Cl)c([O-])cc2F)c[nH]1 ZINC001250020105 805369716 /nfs/dbraw/zinc/36/97/16/805369716.db2.gz DWHLQCYVGGGHNB-UHFFFAOYSA-N -1 3 254.648 3.029 20 0 CGADHM C[C@H]([C@H](C)C(=O)Nc1ncccc1[O-])C(C)(C)C ZINC001154067688 805431172 /nfs/dbraw/zinc/43/11/72/805431172.db2.gz MSOVFPJIDWBAKF-VHSXEESVSA-N -1 3 250.342 3.044 20 0 CGADHM O=C([N-]c1cc(C(F)(F)F)no1)c1onc2ccccc21 ZINC001154371598 805452163 /nfs/dbraw/zinc/45/21/63/805452163.db2.gz ZSCPSZHJFKPREE-UHFFFAOYSA-N -1 3 297.192 3.087 20 0 CGADHM [O-]c1cc(Nc2cccn3ccnc23)ccc1Cl ZINC001212589272 815078897 /nfs/dbraw/zinc/07/88/97/815078897.db2.gz CYVAVZBYVLMVDX-UHFFFAOYSA-N -1 3 259.696 3.437 20 0 CGADHM Cc1ccc(C(N)=O)cc1Nc1ccc(Cl)c([O-])c1 ZINC001212593221 815079747 /nfs/dbraw/zinc/07/97/47/815079747.db2.gz GFEKCIVQASKKBW-UHFFFAOYSA-N -1 3 276.723 3.197 20 0 CGADHM CC1(C)COc2cc(Nc3ccc(Cl)c([O-])c3)nn2C1 ZINC001212591599 815080413 /nfs/dbraw/zinc/08/04/13/815080413.db2.gz UZBCWXIXLMMJSD-UHFFFAOYSA-N -1 3 293.754 3.404 20 0 CGADHM COC(=O)c1cccc(O)c1Nc1ccc(Cl)c([O-])c1 ZINC001212593566 815081353 /nfs/dbraw/zinc/08/13/53/815081353.db2.gz XYZWKVLFWCPZGP-UHFFFAOYSA-N -1 3 293.706 3.281 20 0 CGADHM COc1cc([N-]c2ncco2)c(F)c(F)c1Cl ZINC001250262103 805531096 /nfs/dbraw/zinc/53/10/96/805531096.db2.gz BPGOXXBXNZXXTM-UHFFFAOYSA-N -1 3 260.627 3.358 20 0 CGADHM CCC[C@H](C)CC[C@@H](C)[NH2+]CCCCP(=O)([O-])[O-] ZINC001257468660 807171549 /nfs/dbraw/zinc/17/15/49/807171549.db2.gz QNZMREQODHHRIT-QWHCGFSZSA-N -1 3 279.361 3.139 20 0 CGADHM [O-]c1ccc(Cc2nnc(C3CCCC3)o2)c(F)c1 ZINC001257533047 807194404 /nfs/dbraw/zinc/19/44/04/807194404.db2.gz YAZRXUFEVGUFSC-UHFFFAOYSA-N -1 3 262.284 3.163 20 0 CGADHM COc1cc(-c2nnc(CC(C)(C)C)o2)cc(OC)c1[O-] ZINC001257839050 807225358 /nfs/dbraw/zinc/22/53/58/807225358.db2.gz KPYGRXPEAKTTOX-UHFFFAOYSA-N -1 3 292.335 3.048 20 0 CGADHM CC(=O)Nc1ccc(Nc2ncc(Cl)cc2[O-])cc1F ZINC001212701637 815107554 /nfs/dbraw/zinc/10/75/54/815107554.db2.gz DBAYEBMJAIRQPC-UHFFFAOYSA-N -1 3 295.701 3.282 20 0 CGADHM CCCCC[C@H](CCC)[NH2+]CCCCP(=O)([O-])[O-] ZINC001258665368 807533725 /nfs/dbraw/zinc/53/37/25/807533725.db2.gz XXCKWTJMLUHBJN-ZDUSSCGKSA-N -1 3 279.361 3.283 20 0 CGADHM CC/C=C/[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC001258897400 807667585 /nfs/dbraw/zinc/66/75/85/807667585.db2.gz IUSIIQYWRSZLRN-ZZXKWVIFSA-N -1 3 280.176 3.195 20 0 CGADHM CCCC[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC001259514993 807679953 /nfs/dbraw/zinc/67/99/53/807679953.db2.gz AQIXJDGTLXNWKI-SECBINFHSA-N -1 3 293.791 3.336 20 0 CGADHM [O-]c1cccnc1CNc1ccc(-c2ccncc2)cc1 ZINC001169733537 807701573 /nfs/dbraw/zinc/70/15/73/807701573.db2.gz YQPUQWOMGHWXOR-UHFFFAOYSA-N -1 3 277.327 3.461 20 0 CGADHM CC[C@@H](C)S(=O)(=O)[N-]c1ccccc1-c1nccs1 ZINC001260742663 807704430 /nfs/dbraw/zinc/70/44/30/807704430.db2.gz GSTMYKPDAAMGJU-SNVBAGLBSA-N -1 3 296.417 3.350 20 0 CGADHM CO[C@@H]1CC=C(Nc2ccc(-n3ccc(=O)[n-]3)cc2)CC1 ZINC001212886995 815177302 /nfs/dbraw/zinc/17/73/02/815177302.db2.gz XPBFDSVVQUJMSJ-OAHLLOKOSA-N -1 3 285.347 3.073 20 0 CGADHM COc1cccc(Nc2ncc(Cl)cc2[O-])c1F ZINC001173970719 808795993 /nfs/dbraw/zinc/79/59/93/808795993.db2.gz KFNWSMDIMYIKJW-UHFFFAOYSA-N -1 3 268.675 3.332 20 0 CGADHM COc1ccc(F)c(Nc2cc(=O)n(-c3ccccc3)[n-]2)c1 ZINC001174210317 808901381 /nfs/dbraw/zinc/90/13/81/808901381.db2.gz WKYPOFOBJCFHTJ-UHFFFAOYSA-N -1 3 299.305 3.469 20 0 CGADHM Cc1nnc([N-]c2ccc(C(=O)c3ccccc3)cc2)o1 ZINC001174222764 808910315 /nfs/dbraw/zinc/91/03/15/808910315.db2.gz HQFYIOHSXQQEGG-UHFFFAOYSA-N -1 3 279.299 3.353 20 0 CGADHM Cn1cc(Nc2cc(Cl)c([O-])cc2Cl)cn1 ZINC001174330703 808954459 /nfs/dbraw/zinc/95/44/59/808954459.db2.gz OJSBGPFKZZMHOF-UHFFFAOYSA-N -1 3 258.108 3.176 20 0 CGADHM Cn1ncc2ccc(Nc3c(F)cc([O-])cc3F)cc21 ZINC001174341823 808962180 /nfs/dbraw/zinc/96/21/80/808962180.db2.gz VPWJIJZJKMNYTG-UHFFFAOYSA-N -1 3 275.258 3.301 20 0 CGADHM Cn1cc(Nc2cc(Cl)c([O-])cc2Cl)ccc1=O ZINC001174357907 808973913 /nfs/dbraw/zinc/97/39/13/808973913.db2.gz YYGSQCYBHXAKJR-UHFFFAOYSA-N -1 3 285.130 3.141 20 0 CGADHM [O-]c1c(Cl)cccc1Nc1cnn(CC2CC2)c1 ZINC001174469362 809026063 /nfs/dbraw/zinc/02/60/63/809026063.db2.gz DRGXMYLZTZWIAS-UHFFFAOYSA-N -1 3 263.728 3.396 20 0 CGADHM O=c1cc(Nc2cccc(N3CCCC3)c2)nc(C2CC2)[n-]1 ZINC001174486661 809040714 /nfs/dbraw/zinc/04/07/14/809040714.db2.gz PFUIMDVORHTFID-UHFFFAOYSA-N -1 3 296.374 3.403 20 0 CGADHM [O-]c1cc(F)c(Nc2ccc3cn[nH]c3c2)c(F)c1 ZINC001174501259 809049266 /nfs/dbraw/zinc/04/92/66/809049266.db2.gz ZTGPGYBSSJVMSV-UHFFFAOYSA-N -1 3 261.231 3.290 20 0 CGADHM [O-]c1cc(F)c(Nc2ccc3c[nH]nc3c2)c(F)c1 ZINC001174501259 809049273 /nfs/dbraw/zinc/04/92/73/809049273.db2.gz ZTGPGYBSSJVMSV-UHFFFAOYSA-N -1 3 261.231 3.290 20 0 CGADHM Cc1cc(O)ccc1Nc1ccc([O-])c(F)c1F ZINC001174561837 809083945 /nfs/dbraw/zinc/08/39/45/809083945.db2.gz CTXCCAWQTKGXFZ-UHFFFAOYSA-N -1 3 251.232 3.428 20 0 CGADHM COc1c(F)ccc(F)c1Nc1cc(=O)[n-]c(C2CC2)n1 ZINC001174660750 809121255 /nfs/dbraw/zinc/12/12/55/809121255.db2.gz WPAWYAWSHMAZGC-UHFFFAOYSA-N -1 3 293.273 3.090 20 0 CGADHM [O-]c1c(F)cc(Nc2nsc3ncccc23)cc1F ZINC001213375055 815272050 /nfs/dbraw/zinc/27/20/50/815272050.db2.gz NMLMGOTULGXTHY-UHFFFAOYSA-N -1 3 279.271 3.419 20 0 CGADHM COc1ccc(Nc2cc(=O)[n-]c(C3CC3)n2)c(F)c1F ZINC001175021310 809242891 /nfs/dbraw/zinc/24/28/91/809242891.db2.gz GLHBAZJDAGFTSO-UHFFFAOYSA-N -1 3 293.273 3.090 20 0 CGADHM Cc1c(O)cccc1Nc1cc(F)c([O-])c(F)c1 ZINC001213384432 815274205 /nfs/dbraw/zinc/27/42/05/815274205.db2.gz MERVRZZWIRLPFI-UHFFFAOYSA-N -1 3 251.232 3.428 20 0 CGADHM Cc1ncc(Nc2cc(F)cc(C(F)(F)F)c2)c(=O)[n-]1 ZINC001175062003 809256290 /nfs/dbraw/zinc/25/62/90/809256290.db2.gz VYNASOKESJMIPL-UHFFFAOYSA-N -1 3 287.216 3.392 20 0 CGADHM CCOc1ccc(F)cc1[N-]c1nonc1C1CC1 ZINC001175078943 809261067 /nfs/dbraw/zinc/26/10/67/809261067.db2.gz AGGYEYBVYIYJGJ-UHFFFAOYSA-N -1 3 263.272 3.228 20 0 CGADHM CN1CCc2cc(Nc3cc(F)c([O-])c(F)c3)ccc21 ZINC001213388760 815275387 /nfs/dbraw/zinc/27/53/87/815275387.db2.gz LFUNGLFOZMZYCD-UHFFFAOYSA-N -1 3 276.286 3.406 20 0 CGADHM [O-]c1c(F)cc(Nc2c(F)cc(O)cc2F)cc1F ZINC001175096483 809268848 /nfs/dbraw/zinc/26/88/48/809268848.db2.gz BJLFWBYBKONSOX-UHFFFAOYSA-N -1 3 273.185 3.398 20 0 CGADHM [O-]c1cc(F)c(Nc2ccc(CO)cc2F)c(F)c1 ZINC001175100365 809270536 /nfs/dbraw/zinc/27/05/36/809270536.db2.gz RCHGGNYFWUPJAH-UHFFFAOYSA-N -1 3 269.222 3.045 20 0 CGADHM O=C1CCc2cccc(Nc3c(F)cc([O-])cc3F)c2N1 ZINC001175102275 809272831 /nfs/dbraw/zinc/27/28/31/809272831.db2.gz FWAMXIRSAGXEPX-UHFFFAOYSA-N -1 3 290.269 3.299 20 0 CGADHM Cn1cc(Nc2c(F)ccc([O-])c2F)c(C(F)(F)F)n1 ZINC001175262841 809328882 /nfs/dbraw/zinc/32/88/82/809328882.db2.gz NZEPBERTYUGGAS-UHFFFAOYSA-N -1 3 293.195 3.166 20 0 CGADHM Cc1cnn(CC2CC2)c1Nc1c(F)ccc([O-])c1F ZINC001175264995 809328962 /nfs/dbraw/zinc/32/89/62/809328962.db2.gz AGHSYJNKVUOXQR-UHFFFAOYSA-N -1 3 279.290 3.329 20 0 CGADHM COc1cc(Nc2c(F)ccc([O-])c2F)cc(Cl)n1 ZINC001175264609 809329789 /nfs/dbraw/zinc/32/97/89/809329789.db2.gz YYKLWRHQDCIUJN-UHFFFAOYSA-N -1 3 286.665 3.471 20 0 CGADHM Cc1ccnc(C)c1Nc1c(F)ccc([O-])c1F ZINC001175262779 809330311 /nfs/dbraw/zinc/33/03/11/809330311.db2.gz KUEXMEQLZMRGPK-UHFFFAOYSA-N -1 3 250.248 3.426 20 0 CGADHM [O-]c1ccc(F)c(Nc2cn3ccccc3n2)c1F ZINC001175266238 809331077 /nfs/dbraw/zinc/33/10/77/809331077.db2.gz RTEGJRPQCZKTAH-UHFFFAOYSA-N -1 3 261.231 3.062 20 0 CGADHM [O-]c1ccc(F)c(Nc2ccc(C3OCCO3)cc2)c1F ZINC001175268706 809333110 /nfs/dbraw/zinc/33/31/10/809333110.db2.gz QPUHYMKMLODABI-UHFFFAOYSA-N -1 3 293.269 3.459 20 0 CGADHM COC(=O)c1cc(F)ccc1Nc1c(F)ccc([O-])c1F ZINC001175268757 809333454 /nfs/dbraw/zinc/33/34/54/809333454.db2.gz SPTBQTWWLMOZBI-UHFFFAOYSA-N -1 3 297.232 3.340 20 0 CGADHM CN1CCc2cc(Nc3c(F)ccc([O-])c3F)ccc21 ZINC001175271183 809333753 /nfs/dbraw/zinc/33/37/53/809333753.db2.gz UXXGSPACEBPHGN-UHFFFAOYSA-N -1 3 276.286 3.406 20 0 CGADHM COc1ncc(C)cc1Nc1nc2c(cccc2[O-])s1 ZINC001175337841 809363923 /nfs/dbraw/zinc/36/39/23/809363923.db2.gz YEFBVXJECIUQFZ-UHFFFAOYSA-N -1 3 287.344 3.458 20 0 CGADHM CC(C)c1nsc([N-]C(=O)c2nccc3occc32)n1 ZINC001288565386 809365766 /nfs/dbraw/zinc/36/57/66/809365766.db2.gz IDIKZBMWZQDXRS-UHFFFAOYSA-N -1 3 288.332 3.055 20 0 CGADHM Cc1nc2c(cccc2Nc2ccc(-c3nn[n-]n3)cc2)o1 ZINC001175429558 809401813 /nfs/dbraw/zinc/40/18/13/809401813.db2.gz KLWZGYCLKWVUBT-UHFFFAOYSA-N -1 3 292.302 3.060 20 0 CGADHM O=C(NCC1CCCCCCC1)c1ccc(O)cc1[O-] ZINC001291833396 809424620 /nfs/dbraw/zinc/42/46/20/809424620.db2.gz ZLISQPBFRZJGEE-UHFFFAOYSA-N -1 3 277.364 3.188 20 0 CGADHM [O-]c1c(F)cc(Nc2ccc3nccnc3c2)cc1F ZINC001175490417 809428156 /nfs/dbraw/zinc/42/81/56/809428156.db2.gz DIMLAWNASYDAFS-UHFFFAOYSA-N -1 3 273.242 3.357 20 0 CGADHM Cc1cc([N-]c2nnc(C(C)(C)C)o2)cc2c[nH]nc21 ZINC001175515787 809436805 /nfs/dbraw/zinc/43/68/05/809436805.db2.gz BXPYIEVTQMAADB-UHFFFAOYSA-N -1 3 271.324 3.295 20 0 CGADHM O=C([N-]c1cc(F)c(F)cc1F)c1onc2ccccc21 ZINC001293183324 809444947 /nfs/dbraw/zinc/44/49/47/809444947.db2.gz TYFGMSSTVNHVLN-UHFFFAOYSA-N -1 3 292.216 3.497 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])[C@@H]1C[C@H]1c1ccncc1 ZINC001295351207 809485874 /nfs/dbraw/zinc/48/58/74/809485874.db2.gz RUCWOUFQKNBZNB-NWDGAFQWSA-N -1 3 288.734 3.183 20 0 CGADHM CSc1ncc([N-]c2nnc(C(C)(C)C)s2)cn1 ZINC001175644738 809487323 /nfs/dbraw/zinc/48/73/23/809487323.db2.gz ZEGDTYHOQYVCJG-UHFFFAOYSA-N -1 3 281.410 3.091 20 0 CGADHM CSc1ncc(Nc2nc3c(cccc3[O-])s2)cn1 ZINC001175644543 809487339 /nfs/dbraw/zinc/48/73/39/809487339.db2.gz TVHPWHMHKUNCAH-UHFFFAOYSA-N -1 3 290.373 3.257 20 0 CGADHM Cc1ccc2occ(CC(=O)[N-]OC/C=C/Cl)c2c1 ZINC001298868749 809540490 /nfs/dbraw/zinc/54/04/90/809540490.db2.gz JZXMADSSDZWNQW-GORDUTHDSA-N -1 3 279.723 3.084 20 0 CGADHM COc1ccc(C(=O)N[C@@H]2CCC[C@H]2C(C)(C)C)c([O-])c1 ZINC001299247707 809546887 /nfs/dbraw/zinc/54/68/87/809546887.db2.gz DWOXOATXNAMEOB-ZIAGYGMSSA-N -1 3 291.391 3.345 20 0 CGADHM O=c1cc(Nc2ccc(-c3cccnc3)cc2)[nH]c(=S)[n-]1 ZINC001175888555 809564933 /nfs/dbraw/zinc/56/49/33/809564933.db2.gz PCKHXYICXWUXNG-UHFFFAOYSA-N -1 3 296.355 3.277 20 0 CGADHM Cc1nnc(-c2cccc([N-]c3nnc(C(C)C)o3)c2)o1 ZINC001175988481 809593019 /nfs/dbraw/zinc/59/30/19/809593019.db2.gz MNGILCLAKBEDCI-UHFFFAOYSA-N -1 3 285.307 3.295 20 0 CGADHM O=C1CCc2cc(Nc3ccc(F)c([O-])c3)ccc21 ZINC001176233612 809652596 /nfs/dbraw/zinc/65/25/96/809652596.db2.gz IACAMUWNJMMAJV-UHFFFAOYSA-N -1 3 257.264 3.404 20 0 CGADHM COc1ccc(O)cc1Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001176575932 809720470 /nfs/dbraw/zinc/72/04/70/809720470.db2.gz IGYMROCFTXOGHD-UHFFFAOYSA-N -1 3 297.314 3.036 20 0 CGADHM C/C=C(C)/C=C/C(=O)Nc1ncc([O-])cc1Br ZINC001178508072 809872196 /nfs/dbraw/zinc/87/21/96/809872196.db2.gz WEDPUVYYIAEZBU-JPXXCTSLSA-N -1 3 297.152 3.011 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2nc3c(o2)CCCC3)c1 ZINC001180589767 810012129 /nfs/dbraw/zinc/01/21/29/810012129.db2.gz RNDSQHUIMIIKKF-UHFFFAOYSA-N -1 3 286.331 3.074 20 0 CGADHM CC(=O)c1cccc([O-])c1NC(=O)[C@H]1CCC[C@@H](C)C1 ZINC001184511735 810206776 /nfs/dbraw/zinc/20/67/76/810206776.db2.gz RANOXQMLERAUJG-PWSUYJOCSA-N -1 3 275.348 3.360 20 0 CGADHM CCOC(=O)c1ccc(-c2nc(-c3ccc(C)cc3)no2)[n-]1 ZINC001213974783 815353504 /nfs/dbraw/zinc/35/35/04/815353504.db2.gz APAGPTFYEFTXPM-UHFFFAOYSA-N -1 3 297.314 3.217 20 0 CGADHM O=C(Nc1ccc([O-])c(Br)c1)NC1CCCC1 ZINC001185895134 810300590 /nfs/dbraw/zinc/30/05/90/810300590.db2.gz KKBJLAMOWSEZDX-UHFFFAOYSA-N -1 3 299.168 3.219 20 0 CGADHM CSc1ccccc1NC(=O)Nc1nc(C)ccc1[O-] ZINC001186713581 810358249 /nfs/dbraw/zinc/35/82/49/810358249.db2.gz MAJFVXMBSCRXLI-UHFFFAOYSA-N -1 3 289.360 3.462 20 0 CGADHM O=C([N-]c1noc2cnccc21)c1ccoc1C(F)(F)F ZINC001187710833 810418914 /nfs/dbraw/zinc/41/89/14/810418914.db2.gz VJXIMJNCIMFFHV-UHFFFAOYSA-N -1 3 297.192 3.087 20 0 CGADHM Cc1nc2sccc2c(NC(=O)c2c(C)cccc2[O-])n1 ZINC001188639169 810496941 /nfs/dbraw/zinc/49/69/41/810496941.db2.gz WAIZFVLALZRFTR-UHFFFAOYSA-N -1 3 299.355 3.266 20 0 CGADHM CC(C)(C)c1cc(C(=O)Nc2cc([O-])cc(Cl)c2)n[nH]1 ZINC001189247930 810551544 /nfs/dbraw/zinc/55/15/44/810551544.db2.gz NRRDMZMQTOHNEA-UHFFFAOYSA-N -1 3 293.754 3.319 20 0 CGADHM CCCCCCc1ccc(NC(=O)c2cnn[n-]2)cc1 ZINC001189348592 810561854 /nfs/dbraw/zinc/56/18/54/810561854.db2.gz OFTIPQSGVUXENM-UHFFFAOYSA-N -1 3 272.352 3.180 20 0 CGADHM CCCCCCc1ccc(NC(=O)c2c[n-]nn2)cc1 ZINC001189348592 810561861 /nfs/dbraw/zinc/56/18/61/810561861.db2.gz OFTIPQSGVUXENM-UHFFFAOYSA-N -1 3 272.352 3.180 20 0 CGADHM CCCCCCc1ccc(NC(=O)c2cn[n-]n2)cc1 ZINC001189348592 810561870 /nfs/dbraw/zinc/56/18/70/810561870.db2.gz OFTIPQSGVUXENM-UHFFFAOYSA-N -1 3 272.352 3.180 20 0 CGADHM Cc1c(F)ccc(C(=O)Nc2ncccc2[O-])c1Cl ZINC001191354546 810705366 /nfs/dbraw/zinc/70/53/66/810705366.db2.gz RKMIVZUCRVXWQM-UHFFFAOYSA-N -1 3 280.686 3.140 20 0 CGADHM Cc1nc(NC(=O)Nc2ccc(Cl)c(C)c2)cc(=O)[n-]1 ZINC001191740996 810735419 /nfs/dbraw/zinc/73/54/19/810735419.db2.gz YZIIAQYRHODQRI-UHFFFAOYSA-N -1 3 292.726 3.096 20 0 CGADHM O=C(Nc1ccc(F)c([O-])c1)c1ccnc(C(F)F)c1 ZINC001193654064 810928346 /nfs/dbraw/zinc/92/83/46/810928346.db2.gz NFBYGSYKXVHLBT-UHFFFAOYSA-N -1 3 282.221 3.116 20 0 CGADHM Cc1ccc(Nc2cc(=O)n(-c3ccccc3)[n-]2)c(CO)c1 ZINC001214452806 815410632 /nfs/dbraw/zinc/41/06/32/815410632.db2.gz KCWVXQCTRBWQJP-UHFFFAOYSA-N -1 3 295.342 3.122 20 0 CGADHM Cc1cc(O)cc([O-])c1C(=O)NCc1ccccc1C1CC1 ZINC001193936827 810982050 /nfs/dbraw/zinc/98/20/50/810982050.db2.gz BWYWKPHHQBGWEC-UHFFFAOYSA-N -1 3 297.354 3.214 20 0 CGADHM Cc1cc(O)cc([O-])c1C(=O)N[C@H]1C[C@H](C)CC(C)(C)C1 ZINC001193945380 810984347 /nfs/dbraw/zinc/98/43/47/810984347.db2.gz CNIZAEJWYQRBLC-JQWIXIFHSA-N -1 3 291.391 3.351 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])Oc1ccc(F)cc1 ZINC001195035685 811188948 /nfs/dbraw/zinc/18/89/48/811188948.db2.gz OLQZTQMRHKCDOG-UHFFFAOYSA-N -1 3 265.215 3.281 20 0 CGADHM O=C(Nc1ccc([O-])c(F)c1)Oc1ccc(F)cc1 ZINC001195036243 811188978 /nfs/dbraw/zinc/18/89/78/811188978.db2.gz WTDZZSYNFVPBKQ-UHFFFAOYSA-N -1 3 265.215 3.281 20 0 CGADHM CCOc1ccc(C(=O)Nc2cncc([O-])c2)cc1CC ZINC001198176632 811483613 /nfs/dbraw/zinc/48/36/13/811483613.db2.gz WARXCXZPISXTGT-UHFFFAOYSA-N -1 3 286.331 3.001 20 0 CGADHM [O-]c1cc(NC(=S)NCC2CCCCC2)ccc1F ZINC001199922464 811612883 /nfs/dbraw/zinc/61/28/83/811612883.db2.gz FPPPQUVZVUGWBK-UHFFFAOYSA-N -1 3 282.384 3.398 20 0 CGADHM CC(C)(C)c1cc(Nc2cnc(F)c(C(=O)[O-])c2)ccn1 ZINC001215103797 815482548 /nfs/dbraw/zinc/48/25/48/815482548.db2.gz ZGWHIWNARBWZMD-UHFFFAOYSA-N -1 3 289.310 3.355 20 0 CGADHM COc1ccc(C(C)=O)c(Nc2cncc([O-])c2)c1Cl ZINC001201641204 811928970 /nfs/dbraw/zinc/92/89/70/811928970.db2.gz BZYVQNZAAOUVFQ-UHFFFAOYSA-N -1 3 292.722 3.395 20 0 CGADHM NC(=O)c1ccc(Nc2ccc(C3CC3)cc2)cc1[O-] ZINC001201682916 811935775 /nfs/dbraw/zinc/93/57/75/811935775.db2.gz ITXFTDMGEKEXGO-UHFFFAOYSA-N -1 3 268.316 3.112 20 0 CGADHM [O-]c1c(Cl)cccc1Nc1cnn(C(F)F)c1 ZINC001201736376 811952889 /nfs/dbraw/zinc/95/28/89/811952889.db2.gz MWOCJDCNBOXGKL-UHFFFAOYSA-N -1 3 259.643 3.381 20 0 CGADHM Cc1cccc(NC(=O)Nc2ncc([O-])cc2Cl)c1 ZINC001202307089 812059860 /nfs/dbraw/zinc/05/98/60/812059860.db2.gz RTKOARPQEOTKIA-UHFFFAOYSA-N -1 3 277.711 3.393 20 0 CGADHM Cc1ccc(-c2nc(-c3ccc(F)c(C)n3)no2)c([O-])c1 ZINC001215296943 815504555 /nfs/dbraw/zinc/50/45/55/815504555.db2.gz HDAKJZSXGYQBHQ-UHFFFAOYSA-N -1 3 285.278 3.260 20 0 CGADHM CCc1cccc(-c2noc(-c3c([O-])cccc3O)n2)c1 ZINC001215302023 815505514 /nfs/dbraw/zinc/50/55/14/815505514.db2.gz OHYDVVRLMROBBP-UHFFFAOYSA-N -1 3 282.299 3.377 20 0 CGADHM O=C([O-])c1sccc1Nc1ccnc(C2CC2)c1 ZINC001215389792 815513961 /nfs/dbraw/zinc/51/39/61/815513961.db2.gz FZJIRVHOSDRHDJ-UHFFFAOYSA-N -1 3 260.318 3.462 20 0 CGADHM Cc1nnc([N-]c2ccc3cnn([C@@H]4CCCCO4)c3c2)o1 ZINC001215559141 815535661 /nfs/dbraw/zinc/53/56/61/815535661.db2.gz ORVBKRUNIWDUKH-AWEZNQCLSA-N -1 3 299.334 3.170 20 0 CGADHM [O-]c1cc(F)c(Nc2cncc(Cl)c2)cc1F ZINC001215570708 815536743 /nfs/dbraw/zinc/53/67/43/815536743.db2.gz LUUFYILKPSROPG-UHFFFAOYSA-N -1 3 256.639 3.462 20 0 CGADHM [O-]c1cc(F)c(Nc2cn(C3CCC3)cn2)cc1F ZINC001215572637 815537300 /nfs/dbraw/zinc/53/73/00/815537300.db2.gz NZSAVESWDFGECL-UHFFFAOYSA-N -1 3 265.263 3.336 20 0 CGADHM COc1nc(Cl)ccc1Nc1cc(F)c([O-])cc1F ZINC001215572496 815537541 /nfs/dbraw/zinc/53/75/41/815537541.db2.gz YHUQQWWMQHYIMP-UHFFFAOYSA-N -1 3 286.665 3.471 20 0 CGADHM COCOc1ccc(Nc2ccc(C)c([O-])c2Cl)cn1 ZINC001215666571 815556979 /nfs/dbraw/zinc/55/69/79/815556979.db2.gz XTGPRCPVDAKBIP-UHFFFAOYSA-N -1 3 294.738 3.475 20 0 CGADHM Cc1ccc(F)c(-n2c3cc(N)ccc3[nH]c2=S)c1[O-] ZINC001215743445 815572900 /nfs/dbraw/zinc/57/29/00/815572900.db2.gz YCCZQEXNTYKNQD-UHFFFAOYSA-N -1 3 289.335 3.050 20 0 CGADHM COc1ccc(Nc2ccc([O-])c(F)c2F)c2c[nH]nc21 ZINC001215750249 815573675 /nfs/dbraw/zinc/57/36/75/815573675.db2.gz AVPREPXYVJVBLD-UHFFFAOYSA-N -1 3 291.257 3.299 20 0 CGADHM Oc1ccc2cc(-c3cccc(-c4nnn[n-]4)c3)ccc2c1 ZINC001205777715 813075713 /nfs/dbraw/zinc/07/57/13/813075713.db2.gz IGHXVUMGRMLQRC-UHFFFAOYSA-N -1 3 288.310 3.393 20 0 CGADHM Oc1ccc2cc(-c3cccc(-c4nn[n-]n4)c3)ccc2c1 ZINC001205777715 813075719 /nfs/dbraw/zinc/07/57/19/813075719.db2.gz IGHXVUMGRMLQRC-UHFFFAOYSA-N -1 3 288.310 3.393 20 0 CGADHM CC(C)Cn1cc(Nc2cc(F)c([O-])cc2F)cn1 ZINC001205876262 813117575 /nfs/dbraw/zinc/11/75/75/813117575.db2.gz JQMKOSDKRQCMGM-UHFFFAOYSA-N -1 3 267.279 3.267 20 0 CGADHM [O-]c1ccc(-c2ncnc3cc(F)c(F)cc32)c(F)c1 ZINC001206021887 813169463 /nfs/dbraw/zinc/16/94/63/813169463.db2.gz SNFKVGYQGKYFRN-UHFFFAOYSA-N -1 3 276.217 3.420 20 0 CGADHM [O-]c1ccc(-c2cn3ncnc3cc2C(F)(F)F)c(F)c1 ZINC001206088472 813195976 /nfs/dbraw/zinc/19/59/76/813195976.db2.gz LYQFDGJXPQTMPP-UHFFFAOYSA-N -1 3 297.211 3.260 20 0 CGADHM CCCCOc1cccc([N-]c2nonc2OC)c1 ZINC001208620130 813778176 /nfs/dbraw/zinc/77/81/76/813778176.db2.gz ADDGXHUECAGXQT-UHFFFAOYSA-N -1 3 263.297 3.001 20 0 CGADHM COc1cc(OC)c(Nc2cccc(Cl)c2[O-])cn1 ZINC001210218736 814346024 /nfs/dbraw/zinc/34/60/24/814346024.db2.gz CIVGOLVOFDDEKR-UHFFFAOYSA-N -1 3 280.711 3.201 20 0 CGADHM Cc1ccc(C(N)=O)cc1Nc1cccc(Cl)c1[O-] ZINC001210222109 814349465 /nfs/dbraw/zinc/34/94/65/814349465.db2.gz ONNPOSMOCHXOCZ-UHFFFAOYSA-N -1 3 276.723 3.197 20 0 CGADHM O=C1NCCc2c(Nc3cccc(Cl)c3[O-])cccc21 ZINC001210222589 814349667 /nfs/dbraw/zinc/34/96/67/814349667.db2.gz POPISIKWABKVAC-UHFFFAOYSA-N -1 3 288.734 3.075 20 0 CGADHM COc1cccc(N)c1Nc1cccc(Cl)c1[O-] ZINC001210223008 814351129 /nfs/dbraw/zinc/35/11/29/814351129.db2.gz GZGYKYQLLZOYSY-UHFFFAOYSA-N -1 3 264.712 3.380 20 0 CGADHM CC(=O)c1ccc(Nc2nc3c(cccc3[O-])s2)cn1 ZINC001210271475 814371945 /nfs/dbraw/zinc/37/19/45/814371945.db2.gz ZWIYNBBJEDVYTC-UHFFFAOYSA-N -1 3 285.328 3.343 20 0 CGADHM [O-]c1cc(Cl)cnc1Nc1ccc2ncncc2c1 ZINC001210454905 814466120 /nfs/dbraw/zinc/46/61/20/814466120.db2.gz PQJJZGZAAZDYTQ-UHFFFAOYSA-N -1 3 272.695 3.127 20 0 CGADHM COCc1ccnc(-c2cc([O-])cc(C(F)(F)F)c2)n1 ZINC001242780005 823131250 /nfs/dbraw/zinc/13/12/50/823131250.db2.gz HSXUXEXGQOWHPT-UHFFFAOYSA-N -1 3 284.237 3.014 20 0 CGADHM CCN(C)c1ccnc(-c2cc([O-])cc(C(F)(F)F)c2)n1 ZINC001242781115 823131770 /nfs/dbraw/zinc/13/17/70/823131770.db2.gz RDJODGRXAYNHDH-UHFFFAOYSA-N -1 3 297.280 3.324 20 0 CGADHM Cc1nnc2cc(Nc3cccc([O-])c3Cl)ccn12 ZINC001210853643 814650419 /nfs/dbraw/zinc/65/04/19/814650419.db2.gz BFAAURCKBVGYLL-UHFFFAOYSA-N -1 3 274.711 3.140 20 0 CGADHM Cc1nc2ccc(N)cc2n1-c1cccc([O-])c1Cl ZINC001210854319 814652037 /nfs/dbraw/zinc/65/20/37/814652037.db2.gz OWBJPJCRCRPGBR-UHFFFAOYSA-N -1 3 273.723 3.275 20 0 CGADHM O=c1cc(Nc2ccc3c(c2)C(=O)CCC3)nc(C2CC2)[n-]1 ZINC001210930384 814677918 /nfs/dbraw/zinc/67/79/18/814677918.db2.gz BXKWKKZWKOTYMG-UHFFFAOYSA-N -1 3 295.342 3.322 20 0 CGADHM Fc1cccc(-c2cc([N-]c3ccncn3)on2)c1 ZINC001211024825 814709627 /nfs/dbraw/zinc/70/96/27/814709627.db2.gz ALHYWUKDGGJBJW-UHFFFAOYSA-N -1 3 256.240 3.014 20 0 CGADHM [O-]c1cccc2sc(Nc3cnn4ccccc34)nc21 ZINC001211092528 814741429 /nfs/dbraw/zinc/74/14/29/814741429.db2.gz QSZARWBJTILSGV-UHFFFAOYSA-N -1 3 282.328 3.393 20 0 CGADHM COC(=O)c1cc(C)cc([N-]c2nnc(C(C)C)o2)c1 ZINC001211174678 814841891 /nfs/dbraw/zinc/84/18/91/814841891.db2.gz UIKBXUYNYPSLPL-UHFFFAOYSA-N -1 3 275.308 3.032 20 0 CGADHM COc1ccc(C(C)=O)c(Nc2ccc(F)c([O-])c2)c1 ZINC001211220321 814854180 /nfs/dbraw/zinc/85/41/80/814854180.db2.gz DOIZCEAHKCXXIN-UHFFFAOYSA-N -1 3 275.279 3.486 20 0 CGADHM COCOc1ccccc1Nc1cc([O-])c(F)cc1F ZINC001211562604 814908523 /nfs/dbraw/zinc/90/85/23/814908523.db2.gz SVCNHTHPCUBJMZ-UHFFFAOYSA-N -1 3 281.258 3.397 20 0 CGADHM CCCCOc1ccc([N-]c2nnco2)cc1F ZINC001211610412 814918080 /nfs/dbraw/zinc/91/80/80/814918080.db2.gz UONFSOICQPSTMU-UHFFFAOYSA-N -1 3 251.261 3.131 20 0 CGADHM COCOc1ccc(Nc2ccc([O-])c(F)c2F)cc1 ZINC001211637015 814923452 /nfs/dbraw/zinc/92/34/52/814923452.db2.gz BNEXBZMSLRCJBO-UHFFFAOYSA-N -1 3 281.258 3.397 20 0 CGADHM CC(C)c1cc(Nc2ncc(F)cc2[O-])ccc1N ZINC001216043692 815671565 /nfs/dbraw/zinc/67/15/65/815671565.db2.gz UFTMYXJNYUORIM-UHFFFAOYSA-N -1 3 261.300 3.376 20 0 CGADHM Cc1cc(Cl)c(N)c(Nc2ncc(F)cc2[O-])c1 ZINC001216092591 815690682 /nfs/dbraw/zinc/69/06/82/815690682.db2.gz MVIQUVGFVHEUEW-UHFFFAOYSA-N -1 3 267.691 3.214 20 0 CGADHM Cc1cc(C)c(N)c(Nc2ncc(Cl)cc2[O-])c1 ZINC001216096103 815691358 /nfs/dbraw/zinc/69/13/58/815691358.db2.gz KTOLBQMYRUYLOH-UHFFFAOYSA-N -1 3 263.728 3.383 20 0 CGADHM O=c1cc(Nc2cccc(-c3ccncc3)c2)[nH]c(=S)[n-]1 ZINC001216144932 815713590 /nfs/dbraw/zinc/71/35/90/815713590.db2.gz NJFNYHVPVWOTIU-UHFFFAOYSA-N -1 3 296.355 3.277 20 0 CGADHM COc1ccc(Nc2cccc(Cl)c2[O-])cc1N ZINC001216257704 815758336 /nfs/dbraw/zinc/75/83/36/815758336.db2.gz ACQZEIOZAAPONK-UHFFFAOYSA-N -1 3 264.712 3.380 20 0 CGADHM Cc1cccc(-c2noc(-c3c([O-])cc(C)cc3O)n2)c1 ZINC001216272480 815762526 /nfs/dbraw/zinc/76/25/26/815762526.db2.gz YJQVLJGHIYXCIL-UHFFFAOYSA-N -1 3 282.299 3.432 20 0 CGADHM COc1cc(Nc2cc(F)c([O-])cc2F)c(Cl)cn1 ZINC001216388087 815808430 /nfs/dbraw/zinc/80/84/30/815808430.db2.gz WHHNSEIYKGTQLU-UHFFFAOYSA-N -1 3 286.665 3.471 20 0 CGADHM O=c1cc(Nc2cc(Cl)ccc2O)nc(C2CC2)[n-]1 ZINC001216397751 815812001 /nfs/dbraw/zinc/81/20/01/815812001.db2.gz HVEFQVHOOMISDF-UHFFFAOYSA-N -1 3 277.711 3.162 20 0 CGADHM COc1nc(C)ccc1-c1noc(-c2c(C)cccc2[O-])n1 ZINC001216540585 815853853 /nfs/dbraw/zinc/85/38/53/815853853.db2.gz YSILFLLBOUQGFS-UHFFFAOYSA-N -1 3 297.314 3.130 20 0 CGADHM O=c1c(-c2ccc(F)c([O-])c2)cccn1-c1ccccc1F ZINC001243045896 823222983 /nfs/dbraw/zinc/22/29/83/823222983.db2.gz ARNGXEPYRGQBGJ-UHFFFAOYSA-N -1 3 299.276 3.488 20 0 CGADHM CCOC(=O)c1cc(C)c(-c2ccc(F)c([O-])c2)cn1 ZINC001243045908 823223118 /nfs/dbraw/zinc/22/31/18/823223118.db2.gz BIRKEFSSVKFLIO-UHFFFAOYSA-N -1 3 275.279 3.078 20 0 CGADHM Cc1cc2nc(C)nc(-c3ccc(F)c([O-])c3)c2[nH]1 ZINC001243046129 823223986 /nfs/dbraw/zinc/22/39/86/823223986.db2.gz AOAAYFAFSVUKGX-UHFFFAOYSA-N -1 3 257.268 3.086 20 0 CGADHM COC(=O)c1c(F)ccc(F)c1-c1ccc(F)c([O-])c1 ZINC001243049080 823225408 /nfs/dbraw/zinc/22/54/08/823225408.db2.gz CDJALWXJEVIEBL-UHFFFAOYSA-N -1 3 282.217 3.263 20 0 CGADHM COC(=O)c1cc2cc(-c3ccc(F)c([O-])c3)ncc2o1 ZINC001243048877 823225840 /nfs/dbraw/zinc/22/58/40/823225840.db2.gz ISFUIINOVISBFI-UHFFFAOYSA-N -1 3 287.246 3.126 20 0 CGADHM [O-]c1cc(-c2ccc(C(F)(F)F)n3ncnc23)ccc1F ZINC001243049826 823226660 /nfs/dbraw/zinc/22/66/60/823226660.db2.gz GUPICCDOJZWZEI-UHFFFAOYSA-N -1 3 297.211 3.260 20 0 CGADHM COc1cc(F)c(-c2ccc(F)c([O-])c2)c(F)c1 ZINC001243049678 823226744 /nfs/dbraw/zinc/22/67/44/823226744.db2.gz SMLYQPBVJYDQIT-UHFFFAOYSA-N -1 3 254.207 3.485 20 0 CGADHM COC(=O)c1cc2ncoc2c(-c2ccc(F)c([O-])c2)c1 ZINC001243049976 823226872 /nfs/dbraw/zinc/22/68/72/823226872.db2.gz DCYJBZCIBNZLPD-UHFFFAOYSA-N -1 3 287.246 3.126 20 0 CGADHM [O-]c1cc(-c2ccc(OC(F)(F)F)cn2)ccc1F ZINC001243050253 823226972 /nfs/dbraw/zinc/22/69/72/823226972.db2.gz WERLATOTQXJBKL-UHFFFAOYSA-N -1 3 273.185 3.492 20 0 CGADHM [O-]c1cc(-c2ccc3c(c2)[C@@H](O)CCO3)ccc1F ZINC001243051053 823227411 /nfs/dbraw/zinc/22/74/11/823227411.db2.gz KVARFENMMKZVQE-ZDUSSCGKSA-N -1 3 260.264 3.014 20 0 CGADHM COC(=O)c1nc2ccc(-c3ccc(F)c([O-])c3)cc2o1 ZINC001243051978 823228473 /nfs/dbraw/zinc/22/84/73/823228473.db2.gz RSILBTDCKKPINY-UHFFFAOYSA-N -1 3 287.246 3.126 20 0 CGADHM Cc1cc(C(=O)OC(C)C)cnc1-c1ccc(F)c([O-])c1 ZINC001243054738 823230210 /nfs/dbraw/zinc/23/02/10/823230210.db2.gz QXUROLSBGCJTKG-UHFFFAOYSA-N -1 3 289.306 3.467 20 0 CGADHM O=C1NCCC/C1=C\c1cccc(-c2ccc(F)c([O-])c2)c1 ZINC001243061509 823231892 /nfs/dbraw/zinc/23/18/92/823231892.db2.gz GZBCXPYHNKQULB-XNTDXEJSSA-N -1 3 297.329 3.492 20 0 CGADHM CC(C)[C@H](Oc1ccc2c([O-])coc2c1)C(F)(F)F ZINC001225343116 817020115 /nfs/dbraw/zinc/02/01/15/817020115.db2.gz PRSQKFABHFVJJM-LBPRGKRZSA-N -1 3 274.238 3.227 20 0 CGADHM CCCC[C@H](C)Oc1nc(=O)[n-]cc1C(F)(F)F ZINC001225577441 817098055 /nfs/dbraw/zinc/09/80/55/817098055.db2.gz WMGVQLLRNPWDAQ-ZETCQYMHSA-N -1 3 264.247 3.159 20 0 CGADHM O=c1nc(O[C@H]2CCC=CCCC2)c(C(F)(F)F)c[n-]1 ZINC001225580223 817099819 /nfs/dbraw/zinc/09/98/19/817099819.db2.gz VBYUKRNHIZEAKR-VIFPVBQESA-N -1 3 288.269 3.469 20 0 CGADHM Cc1cnc(=S)[n-]c1O[C@H]1CCC=CCCC1 ZINC001225742732 817163749 /nfs/dbraw/zinc/16/37/49/817163749.db2.gz OXQBLGHKKJTPTO-NSHDSACASA-N -1 3 250.367 3.341 20 0 CGADHM F[C@@H]1CCCC[C@H]1Oc1cc(C(F)(F)F)[n-]c(=S)n1 ZINC001225850829 817196331 /nfs/dbraw/zinc/19/63/31/817196331.db2.gz OPHNNICQDUTWBC-RNFRBKRXSA-N -1 3 296.289 3.444 20 0 CGADHM CC(=O)c1ccc([O-])c(O[C@@H]2CCCC[C@@H]2F)c1 ZINC001225994251 817241594 /nfs/dbraw/zinc/24/15/94/817241594.db2.gz MBCPMOQFZUYVNA-WCQYABFASA-N -1 3 252.285 3.254 20 0 CGADHM CC(=O)c1ccc([O-])c(O[C@H](C)COc2ccccc2)c1 ZINC001225997794 817243478 /nfs/dbraw/zinc/24/34/78/817243478.db2.gz HMYCCVWYBLPRSH-GFCCVEGCSA-N -1 3 286.327 3.441 20 0 CGADHM CC[C@H](Oc1[n-]c(=O)ncc1C(C)=O)c1ccccc1F ZINC001226236901 817306041 /nfs/dbraw/zinc/30/60/41/817306041.db2.gz FLQKHAQXLKLXLH-ZDUSSCGKSA-N -1 3 290.294 3.054 20 0 CGADHM CC(=O)c1cnc(=O)[n-]c1O[C@H](C)c1ccc(C)cc1C ZINC001226238808 817307276 /nfs/dbraw/zinc/30/72/76/817307276.db2.gz YVNYYNGMFUKSGX-GFCCVEGCSA-N -1 3 286.331 3.142 20 0 CGADHM CC(=O)c1ccc([O-])c(O[C@H]2CC[C@H](C)CC2)c1O ZINC001226482181 817372016 /nfs/dbraw/zinc/37/20/16/817372016.db2.gz KKAVTMRYEUZLJU-HOMQSWHASA-N -1 3 264.321 3.258 20 0 CGADHM Cc1cc(=O)oc2cc([O-])c(O[C@H](C)c3ccncc3)cc12 ZINC001226533151 817388990 /nfs/dbraw/zinc/38/89/90/817388990.db2.gz AVPFNOMVQJDOFU-LLVKDONJSA-N -1 3 297.310 3.342 20 0 CGADHM C[C@H]1CC[C@H](Oc2[n-]c(=O)nc3nc(Cl)ccc32)CC1 ZINC001226556763 817396495 /nfs/dbraw/zinc/39/64/95/817396495.db2.gz QYXPDCVUXJCAGF-KYZUINATSA-N -1 3 293.754 3.341 20 0 CGADHM C[C@H](Oc1c([O-])ccc2ccc(=O)oc21)C1CCCC1 ZINC001226599823 817409033 /nfs/dbraw/zinc/40/90/33/817409033.db2.gz OQQJRTRKLYNIJO-JTQLQIEISA-N -1 3 274.316 3.456 20 0 CGADHM COC(=O)[C@@H]1CCC[C@@H](Oc2cccc([O-])c2Cl)C1 ZINC001226708184 817440634 /nfs/dbraw/zinc/44/06/34/817440634.db2.gz CMIKWGPGSINPTK-NXEZZACHSA-N -1 3 284.739 3.156 20 0 CGADHM CCCCOC(=O)[C@@H](C)Oc1cccc([O-])c1Cl ZINC001226712494 817443210 /nfs/dbraw/zinc/44/32/10/817443210.db2.gz SIHMDHJDEKEEAC-SECBINFHSA-N -1 3 272.728 3.156 20 0 CGADHM Cc1nn(C)cc1[C@H](C)Oc1cccc([O-])c1Cl ZINC001226713099 817443472 /nfs/dbraw/zinc/44/34/72/817443472.db2.gz YTRNTABFFPCYEK-VIFPVBQESA-N -1 3 266.728 3.228 20 0 CGADHM CCc1cnc(=S)[n-]c1O[C@@H](C)c1ncccc1F ZINC001227060844 817546868 /nfs/dbraw/zinc/54/68/68/817546868.db2.gz FDVNVFMQPZENEU-QMMMGPOBSA-N -1 3 279.340 3.002 20 0 CGADHM CCC[C@H](Oc1ccc(=O)[n-]n1)C1CCCCC1 ZINC001227093475 817554704 /nfs/dbraw/zinc/55/47/04/817554704.db2.gz MHJVNEKMBQEOJD-LBPRGKRZSA-N -1 3 250.342 3.310 20 0 CGADHM CC[C@H](C)Oc1c([O-])cc(Br)cc1F ZINC001227588874 817677832 /nfs/dbraw/zinc/67/78/32/817677832.db2.gz WDBWNLQLJVVRFK-LURJTMIESA-N -1 3 263.106 3.471 20 0 CGADHM C[C@@H](Oc1cc(=O)cc(C(F)(F)F)[n-]1)C(F)(F)F ZINC001227586899 817678125 /nfs/dbraw/zinc/67/81/25/817678125.db2.gz PNAUPFZNBCPWAV-SCSAIBSYSA-N -1 3 275.148 3.136 20 0 CGADHM CO[C@@H](COc1ncc(Cl)cc1[O-])c1ccccc1 ZINC001227979315 817770661 /nfs/dbraw/zinc/77/06/61/817770661.db2.gz BWWWZRSZRAWOFK-ZDUSSCGKSA-N -1 3 279.723 3.207 20 0 CGADHM Cc1cc(=O)oc2c1ccc([O-])c2O[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC001228624320 817955916 /nfs/dbraw/zinc/95/59/16/817955916.db2.gz ZKWURIWYDKQIIA-UHIISALHSA-N -1 3 286.327 3.374 20 0 CGADHM COc1cccc([C@@H](C)Oc2nnc(-c3cccnc3)[n-]2)c1 ZINC001228697013 817977392 /nfs/dbraw/zinc/97/73/92/817977392.db2.gz DKKDSFLEOXIDQL-LLVKDONJSA-N -1 3 296.330 3.015 20 0 CGADHM COc1cccc([C@@H](C)Oc2nc(-c3cccnc3)n[n-]2)c1 ZINC001228697013 817977397 /nfs/dbraw/zinc/97/73/97/817977397.db2.gz DKKDSFLEOXIDQL-LLVKDONJSA-N -1 3 296.330 3.015 20 0 CGADHM COc1cccc([C@@H](C)Oc2n[n-]c(-c3cccnc3)n2)c1 ZINC001228697013 817977404 /nfs/dbraw/zinc/97/74/04/817977404.db2.gz DKKDSFLEOXIDQL-LLVKDONJSA-N -1 3 296.330 3.015 20 0 CGADHM C[C@@H]1CC[C@@H](Oc2cccc(-c3nnn[n-]3)c2)C[C@@H]1C ZINC001231118980 818035568 /nfs/dbraw/zinc/03/55/68/818035568.db2.gz XPMSYXPIPDQAQY-UHIISALHSA-N -1 3 272.352 3.070 20 0 CGADHM C[C@@H]1CC[C@@H](Oc2cccc(-c3nn[n-]n3)c2)C[C@@H]1C ZINC001231118980 818035573 /nfs/dbraw/zinc/03/55/73/818035573.db2.gz XPMSYXPIPDQAQY-UHIISALHSA-N -1 3 272.352 3.070 20 0 CGADHM CCC[C@H](C)[C@H](CC)Oc1cccc(-c2nnn[n-]2)c1 ZINC001231122581 818035597 /nfs/dbraw/zinc/03/55/97/818035597.db2.gz VCNYBEKHVDTXMA-FZMZJTMJSA-N -1 3 274.368 3.460 20 0 CGADHM CCC[C@H](C)[C@H](CC)Oc1cccc(-c2nn[n-]n2)c1 ZINC001231122581 818035602 /nfs/dbraw/zinc/03/56/02/818035602.db2.gz VCNYBEKHVDTXMA-FZMZJTMJSA-N -1 3 274.368 3.460 20 0 CGADHM CC[C@H]1CCCC[C@H]1Oc1cccc(-c2nnn[n-]2)c1 ZINC001231118966 818035920 /nfs/dbraw/zinc/03/59/20/818035920.db2.gz XMSQFVXJTQYKKJ-SMDDNHRTSA-N -1 3 272.352 3.214 20 0 CGADHM CC[C@H]1CCCC[C@H]1Oc1cccc(-c2nn[n-]n2)c1 ZINC001231118966 818035926 /nfs/dbraw/zinc/03/59/26/818035926.db2.gz XMSQFVXJTQYKKJ-SMDDNHRTSA-N -1 3 272.352 3.214 20 0 CGADHM CC(C)CC[C@H](C)Oc1cccc(-c2nnn[n-]2)c1 ZINC001231118974 818036517 /nfs/dbraw/zinc/03/65/17/818036517.db2.gz XOYZILPDFLLKTQ-NSHDSACASA-N -1 3 260.341 3.070 20 0 CGADHM CC(C)CC[C@H](C)Oc1cccc(-c2nn[n-]n2)c1 ZINC001231118974 818036522 /nfs/dbraw/zinc/03/65/22/818036522.db2.gz XOYZILPDFLLKTQ-NSHDSACASA-N -1 3 260.341 3.070 20 0 CGADHM [O-]c1ccccc1Oc1ccccc1OC[C@@H]1CCO1 ZINC001231219769 818059618 /nfs/dbraw/zinc/05/96/18/818059618.db2.gz AFJRWFNGIRGHPY-LBPRGKRZSA-N -1 3 272.300 3.352 20 0 CGADHM O=C([O-])c1ccc(CN2CC[C@H](F)C(F)(F)CC2)s1 ZINC001231461463 818102890 /nfs/dbraw/zinc/10/28/90/818102890.db2.gz IZATWCKCVHRDJJ-JTQLQIEISA-N -1 3 293.310 3.016 20 0 CGADHM C[C@@H]1CCN(Cc2ccc(F)c([O-])c2F)[C@H](C)C1 ZINC001232934923 818477817 /nfs/dbraw/zinc/47/78/17/818477817.db2.gz LGIBOZZEQKPTPT-NXEZZACHSA-N -1 3 255.308 3.291 20 0 CGADHM [O-]c1cc(CN2CCC3(CCC3)CC2)cc(F)c1F ZINC001232968418 818485524 /nfs/dbraw/zinc/48/55/24/818485524.db2.gz AJIYXDXIGOMRQY-UHFFFAOYSA-N -1 3 267.319 3.437 20 0 CGADHM CN1CCN(Cc2ccc([S-])cc2)[C@H](c2ccccc2)C1 ZINC001233258838 818558517 /nfs/dbraw/zinc/55/85/17/818558517.db2.gz WSWDTKZNRUBJGK-SFHVURJKSA-N -1 3 298.455 3.464 20 0 CGADHM [O-]c1ccc(F)c(CN2CCCC(F)(F)[C@@H](F)C2)c1F ZINC001233393697 818608776 /nfs/dbraw/zinc/60/87/76/818608776.db2.gz HLSGULFSZSZABL-NSHDSACASA-N -1 3 295.251 3.240 20 0 CGADHM [O-]c1ccc(F)c(CN2C[C@@H]3CC(F)(F)C[C@@H]3C2)c1F ZINC001233393918 818608987 /nfs/dbraw/zinc/60/89/87/818608987.db2.gz RGAGFTWIDVUZNL-DTORHVGOSA-N -1 3 289.272 3.148 20 0 CGADHM Cc1cc([O-])c(Cl)cc1O[C@@H](C)c1cnccn1 ZINC001233594038 818654055 /nfs/dbraw/zinc/65/40/55/818654055.db2.gz HICIJDBXQFPMJM-VIFPVBQESA-N -1 3 264.712 3.284 20 0 CGADHM [O-]c1coc2ccc(O[C@@H]3CCCc4cccnc43)cc12 ZINC001233677655 818677151 /nfs/dbraw/zinc/67/71/51/818677151.db2.gz MHBACFONMVXXRG-MRXNPFEDSA-N -1 3 281.311 3.113 20 0 CGADHM CCC[C@@H]1CCCC[C@@H]1Oc1cccc([O-])c1C(N)=O ZINC001234149091 818791744 /nfs/dbraw/zinc/79/17/44/818791744.db2.gz MEFOTOVOBPKGKV-YPMHNXCESA-N -1 3 277.364 3.229 20 0 CGADHM CCC[C@@H](Oc1cccc([O-])c1C(N)=O)c1ccccc1 ZINC001234149306 818791965 /nfs/dbraw/zinc/79/19/65/818791965.db2.gz NHVIFOQJBZDELQ-CQSZACIVSA-N -1 3 285.343 3.411 20 0 CGADHM C[C@@H](Oc1c(Cl)ccc([O-])c1F)c1cncnc1 ZINC001234265604 818820826 /nfs/dbraw/zinc/82/08/26/818820826.db2.gz XPXDONFMHMOGTK-SSDOTTSWSA-N -1 3 268.675 3.115 20 0 CGADHM CC(C)Oc1cc(COc2nc3c(cccc3[O-])[nH]2)ccn1 ZINC001234453301 818859617 /nfs/dbraw/zinc/85/96/17/818859617.db2.gz WVOKXKFLYDDGNW-UHFFFAOYSA-N -1 3 299.330 3.030 20 0 CGADHM Cc1cc(-c2cc(C(F)(F)F)[n-]c(=S)n2)cnc1F ZINC001243395088 823389680 /nfs/dbraw/zinc/38/96/80/823389680.db2.gz DJJDITAFMQZADH-UHFFFAOYSA-N -1 3 289.257 3.294 20 0 CGADHM CCc1nc(-c2cc([O-])cc(Cl)c2)ncc1F ZINC001235898176 819208006 /nfs/dbraw/zinc/20/80/06/819208006.db2.gz CHKGKGQLXPHSOA-UHFFFAOYSA-N -1 3 252.676 3.204 20 0 CGADHM Cc1ccc(F)c(-c2cc(C(=O)N(C)C)ccc2F)c1[O-] ZINC001236425872 819472631 /nfs/dbraw/zinc/47/26/31/819472631.db2.gz QBMWPPOITBYILX-UHFFFAOYSA-N -1 3 291.297 3.348 20 0 CGADHM CCOc1ccc(C)c(F)c1-c1ccccc1-c1nnn[n-]1 ZINC001236529766 819521044 /nfs/dbraw/zinc/52/10/44/819521044.db2.gz WWKZSGDCKNMTCP-UHFFFAOYSA-N -1 3 298.321 3.380 20 0 CGADHM CCOc1ccc(C)c(F)c1-c1ccccc1-c1nn[n-]n1 ZINC001236529766 819521049 /nfs/dbraw/zinc/52/10/49/819521049.db2.gz WWKZSGDCKNMTCP-UHFFFAOYSA-N -1 3 298.321 3.380 20 0 CGADHM Nc1cc(-c2ccc3c(c2)[N-]C(=S)C3)ccc1F ZINC001243455970 823410215 /nfs/dbraw/zinc/41/02/15/823410215.db2.gz DZZMWBUUWHFRRZ-UHFFFAOYSA-N -1 3 258.321 3.370 20 0 CGADHM [O-]c1cc(CN2CCC[C@@H](F)C2)ccc1Br ZINC001236683791 819569190 /nfs/dbraw/zinc/56/91/90/819569190.db2.gz FVPNELHZNKOOPQ-SNVBAGLBSA-N -1 3 288.160 3.089 20 0 CGADHM O=c1[n-]c(Cl)c(CN2CCC[C@@H]2c2ccccn2)s1 ZINC001237150344 819679201 /nfs/dbraw/zinc/67/92/01/819679201.db2.gz FRYWZMUREZNZTD-SNVBAGLBSA-N -1 3 295.795 3.234 20 0 CGADHM CN(Cc1nc2ccccc2o1)Cc1occc1[S-] ZINC001237183829 819689198 /nfs/dbraw/zinc/68/91/98/819689198.db2.gz LCULPNTTXHEQAB-UHFFFAOYSA-N -1 3 274.345 3.342 20 0 CGADHM [O-]c1cc(F)cc(CN2CCCC[C@@H]2C(F)(F)F)c1 ZINC001237276523 819715583 /nfs/dbraw/zinc/71/55/83/819715583.db2.gz GQWHKRKMUBLSDG-GFCCVEGCSA-N -1 3 277.261 3.448 20 0 CGADHM [O-]c1cc(F)cc(CN2CCC[C@@H](F)C(F)(F)C2)c1 ZINC001237278744 819716153 /nfs/dbraw/zinc/71/61/53/819716153.db2.gz CEEYEASLJKPOGJ-GFCCVEGCSA-N -1 3 277.261 3.101 20 0 CGADHM COc1cccc2c1CN(Cc1cc([O-])cc(F)c1)CC2 ZINC001237285186 819718177 /nfs/dbraw/zinc/71/81/77/819718177.db2.gz OIYCXWAPHLASBE-UHFFFAOYSA-N -1 3 287.334 3.098 20 0 CGADHM [O-]c1cccc(-c2ccnc(-c3cccnc3)n2)c1F ZINC001243543719 823436654 /nfs/dbraw/zinc/43/66/54/823436654.db2.gz WVXCLJOXUGPAEV-UHFFFAOYSA-N -1 3 267.263 3.050 20 0 CGADHM CC(C)(C)NC(=O)c1ccnc(-c2cccc([O-])c2F)c1 ZINC001243543602 823436813 /nfs/dbraw/zinc/43/68/13/823436813.db2.gz UPFTTYBBULMXMF-UHFFFAOYSA-N -1 3 288.322 3.122 20 0 CGADHM COc1ccc2nc(C)nc(-c3cccc([O-])c3F)c2c1 ZINC001243543836 823437279 /nfs/dbraw/zinc/43/72/79/823437279.db2.gz YHIFFVRVIBLMLP-UHFFFAOYSA-N -1 3 284.290 3.459 20 0 CGADHM CCCSc1cncc(-c2cccc([O-])c2F)n1 ZINC001243545003 823437446 /nfs/dbraw/zinc/43/74/46/823437446.db2.gz ZXYCPXNNRWVVPA-UHFFFAOYSA-N -1 3 264.325 3.490 20 0 CGADHM COC(=O)c1ccc(-c2cccc([O-])c2F)c2cc[nH]c21 ZINC001243545882 823438150 /nfs/dbraw/zinc/43/81/50/823438150.db2.gz DCCPWZJGJCSZAC-UHFFFAOYSA-N -1 3 285.274 3.466 20 0 CGADHM CCOC(=O)c1cc(C)c(-c2cccc([O-])c2F)cn1 ZINC001243545451 823438261 /nfs/dbraw/zinc/43/82/61/823438261.db2.gz AQAGCKWDOIJWFO-UHFFFAOYSA-N -1 3 275.279 3.078 20 0 CGADHM COC(=O)c1cc(-c2cccc([O-])c2F)ccc1F ZINC001243545696 823438386 /nfs/dbraw/zinc/43/83/86/823438386.db2.gz CFEYKMPYOIBRGA-UHFFFAOYSA-N -1 3 264.227 3.124 20 0 CGADHM CC1(C)C(=O)NCc2cccc(-c3cccc([O-])c3F)c21 ZINC001243546320 823438961 /nfs/dbraw/zinc/43/89/61/823438961.db2.gz NGOCEMYKQXVQAY-UHFFFAOYSA-N -1 3 285.318 3.106 20 0 CGADHM COC(=O)c1cc(-c2cccc([O-])c2F)cc2[nH]ccc21 ZINC001243546515 823438999 /nfs/dbraw/zinc/43/89/99/823438999.db2.gz IFZZBSKMPDEWGH-UHFFFAOYSA-N -1 3 285.274 3.466 20 0 CGADHM Cc1ccnc(F)c1-c1ccc2c(c1)[N-]C(=S)C2 ZINC001243551662 823442050 /nfs/dbraw/zinc/44/20/50/823442050.db2.gz YFYLRQLUOJHKIW-UHFFFAOYSA-N -1 3 258.321 3.492 20 0 CGADHM COC(=O)c1nc2nc(-c3ccc(C4CC4)cc3)ccc2[n-]1 ZINC001238838636 820131257 /nfs/dbraw/zinc/13/12/57/820131257.db2.gz VFHRVFXQZPJMPV-UHFFFAOYSA-N -1 3 293.326 3.241 20 0 CGADHM COC(=O)c1nc2ccc(-c3ccc(C4CC4)cc3)nc2[n-]1 ZINC001238838636 820131261 /nfs/dbraw/zinc/13/12/61/820131261.db2.gz VFHRVFXQZPJMPV-UHFFFAOYSA-N -1 3 293.326 3.241 20 0 CGADHM COC(=O)c1nc2ccc(-c3ccc(C4CC4)cc3)[n-]c-2n1 ZINC001238838636 820131268 /nfs/dbraw/zinc/13/12/68/820131268.db2.gz VFHRVFXQZPJMPV-UHFFFAOYSA-N -1 3 293.326 3.241 20 0 CGADHM Cc1cccc(-c2ccc(-c3nnn[n-]3)cc2C)c1C ZINC001239718099 820544221 /nfs/dbraw/zinc/54/42/21/820544221.db2.gz SWZVJSQIJIQDRJ-UHFFFAOYSA-N -1 3 264.332 3.459 20 0 CGADHM Cc1cccc(-c2ccc(-c3nn[n-]n3)cc2C)c1C ZINC001239718099 820544228 /nfs/dbraw/zinc/54/42/28/820544228.db2.gz SWZVJSQIJIQDRJ-UHFFFAOYSA-N -1 3 264.332 3.459 20 0 CGADHM COc1ccc(-c2nnn[n-]2)cc1-c1ccc(C)cc1C ZINC001239810584 820626078 /nfs/dbraw/zinc/62/60/78/820626078.db2.gz BXWXPYYKWUWHOG-UHFFFAOYSA-N -1 3 280.331 3.159 20 0 CGADHM COc1ccc(-c2nn[n-]n2)cc1-c1ccc(C)cc1C ZINC001239810584 820626081 /nfs/dbraw/zinc/62/60/81/820626081.db2.gz BXWXPYYKWUWHOG-UHFFFAOYSA-N -1 3 280.331 3.159 20 0 CGADHM Cc1ccc(-c2ccc(-c3nnn[n-]3)cc2C)cc1F ZINC001239824940 820641076 /nfs/dbraw/zinc/64/10/76/820641076.db2.gz OSZOLPSJOQEHPF-UHFFFAOYSA-N -1 3 268.295 3.290 20 0 CGADHM Cc1ccc(-c2ccc(-c3nn[n-]n3)cc2C)cc1F ZINC001239824940 820641081 /nfs/dbraw/zinc/64/10/81/820641081.db2.gz OSZOLPSJOQEHPF-UHFFFAOYSA-N -1 3 268.295 3.290 20 0 CGADHM Cc1ccc(-c2ccc(-c3nnn[n-]3)cc2)c(Cl)c1 ZINC001239862825 820668362 /nfs/dbraw/zinc/66/83/62/820668362.db2.gz KAZXXPZSOIDFQO-UHFFFAOYSA-N -1 3 270.723 3.496 20 0 CGADHM Cc1ccc(-c2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC001239862825 820668365 /nfs/dbraw/zinc/66/83/65/820668365.db2.gz KAZXXPZSOIDFQO-UHFFFAOYSA-N -1 3 270.723 3.496 20 0 CGADHM S=c1ccc(-c2ccc(N3CCCCC3)cc2)n[n-]1 ZINC001240007236 820774719 /nfs/dbraw/zinc/77/47/19/820774719.db2.gz BSNLNDHOYHDFCO-UHFFFAOYSA-N -1 3 271.389 3.423 20 0 CGADHM Nc1cc(C(F)(F)F)cnc1-c1ccc([O-])c(F)c1 ZINC001240783045 821322961 /nfs/dbraw/zinc/32/29/61/821322961.db2.gz NTBSHDIBFQORDQ-UHFFFAOYSA-N -1 3 272.201 3.194 20 0 CGADHM [O-]c1ccc(-c2ccc3nc(C(F)(F)F)[nH]c3n2)cc1F ZINC001240783303 821323124 /nfs/dbraw/zinc/32/31/24/821323124.db2.gz UCRWYSSGSMHMPY-UHFFFAOYSA-N -1 3 297.211 3.488 20 0 CGADHM CC(C)c1nnc2ccc(-c3ccc([O-])c(F)c3)cn21 ZINC001240787390 821329031 /nfs/dbraw/zinc/32/90/31/821329031.db2.gz BQYNYBBNJAURPT-UHFFFAOYSA-N -1 3 271.295 3.364 20 0 CGADHM CC(C)(C)OC(=O)c1ccnc(-c2ccccc2[O-])c1 ZINC001241001707 821481202 /nfs/dbraw/zinc/48/12/02/821481202.db2.gz FWYFFWNUJAGZJI-UHFFFAOYSA-N -1 3 271.316 3.410 20 0 CGADHM COC(=O)c1cc2ccccc2nc1-c1ccccc1[O-] ZINC001241007469 821484294 /nfs/dbraw/zinc/48/42/94/821484294.db2.gz CNKIEPMYNFTAIK-UHFFFAOYSA-N -1 3 279.295 3.394 20 0 CGADHM [O-]c1ccccc1-c1cnc(OCc2ccccc2)cn1 ZINC001241008668 821485595 /nfs/dbraw/zinc/48/55/95/821485595.db2.gz VLCRDTUUKQMKEO-UHFFFAOYSA-N -1 3 278.311 3.428 20 0 CGADHM COc1c(C)nc(C2CC2)nc1-c1ccc(C)cc1[O-] ZINC001241038609 821513644 /nfs/dbraw/zinc/51/36/44/821513644.db2.gz WOFXUNNLHPMXOX-UHFFFAOYSA-N -1 3 270.332 3.352 20 0 CGADHM Oc1ccc(-c2cc(C(F)(F)F)[n-]c(=S)n2)cc1 ZINC001241062032 821531080 /nfs/dbraw/zinc/53/10/80/821531080.db2.gz QQPLOULAAMVHQD-UHFFFAOYSA-N -1 3 272.251 3.157 20 0 CGADHM CCOc1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1F ZINC001241087655 821550390 /nfs/dbraw/zinc/55/03/90/821550390.db2.gz ZOMQSPIFZHMJFS-UHFFFAOYSA-N -1 3 284.294 3.072 20 0 CGADHM CCOc1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1F ZINC001241087655 821550395 /nfs/dbraw/zinc/55/03/95/821550395.db2.gz ZOMQSPIFZHMJFS-UHFFFAOYSA-N -1 3 284.294 3.072 20 0 CGADHM CCOc1ccc(C)cc1-c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001241148218 821601707 /nfs/dbraw/zinc/60/17/07/821601707.db2.gz IZMLHNLLCBZHPM-UHFFFAOYSA-N -1 3 298.321 3.380 20 0 CGADHM CCOc1ccc(C)cc1-c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001241148218 821601711 /nfs/dbraw/zinc/60/17/11/821601711.db2.gz IZMLHNLLCBZHPM-UHFFFAOYSA-N -1 3 298.321 3.380 20 0 CGADHM CCOc1ccc(-c2ccc(Cc3nnn[n-]3)cc2)cc1C ZINC001241198778 821633830 /nfs/dbraw/zinc/63/38/30/821633830.db2.gz USYCNQWTBWCSMD-UHFFFAOYSA-N -1 3 294.358 3.165 20 0 CGADHM CCOc1ccc(-c2ccc(Cc3nn[n-]n3)cc2)cc1C ZINC001241198778 821633836 /nfs/dbraw/zinc/63/38/36/821633836.db2.gz USYCNQWTBWCSMD-UHFFFAOYSA-N -1 3 294.358 3.165 20 0 CGADHM [O-]c1cc(F)cc(-c2nncc3ccc(F)cc32)c1 ZINC001241256418 821676745 /nfs/dbraw/zinc/67/67/45/821676745.db2.gz VDSILHKHLAIHEC-UHFFFAOYSA-N -1 3 258.227 3.281 20 0 CGADHM CC[C@@H](C)Oc1nccnc1-c1cc([O-])cc(F)c1 ZINC001241260920 821680009 /nfs/dbraw/zinc/68/00/09/821680009.db2.gz CEKMKWZTANBBOF-SECBINFHSA-N -1 3 262.284 3.166 20 0 CGADHM [O-]c1cc(F)cc(-c2ccnc(-c3cncs3)n2)c1 ZINC001241261209 821680915 /nfs/dbraw/zinc/68/09/15/821680915.db2.gz HCZXDIKMEIYRGW-UHFFFAOYSA-N -1 3 273.292 3.112 20 0 CGADHM COC(=O)Cc1ccc(-c2cc([O-])cc(F)c2)cc1F ZINC001241277323 821696306 /nfs/dbraw/zinc/69/63/06/821696306.db2.gz IQMKHMXVRRTBGU-UHFFFAOYSA-N -1 3 278.254 3.053 20 0 CGADHM COC(=O)CCc1cccc(-c2cc([O-])cc(F)c2)c1 ZINC001241277968 821696555 /nfs/dbraw/zinc/69/65/55/821696555.db2.gz SJBQTDJUXWMCAE-UHFFFAOYSA-N -1 3 274.291 3.304 20 0 CGADHM Nc1cnc2cc(-c3cc([O-])cc(F)c3)ccc2c1 ZINC001241277232 821696819 /nfs/dbraw/zinc/69/68/19/821696819.db2.gz ICGLUMMAOJLNPZ-UHFFFAOYSA-N -1 3 254.264 3.329 20 0 CGADHM CCOC(=O)c1cnc(C)c(-c2cc([O-])cc(F)c2)c1 ZINC001241278177 821696961 /nfs/dbraw/zinc/69/69/61/821696961.db2.gz VWUBYLVJLCLXLU-UHFFFAOYSA-N -1 3 275.279 3.078 20 0 CGADHM CC(C)(C)NC(=O)c1cncc(-c2cc([O-])cc(F)c2)c1 ZINC001241280253 821698845 /nfs/dbraw/zinc/69/88/45/821698845.db2.gz GLZLNLDFTULGIS-UHFFFAOYSA-N -1 3 288.322 3.122 20 0 CGADHM CC1(C)C(=O)NCc2cc(-c3cc([O-])cc(F)c3)ccc21 ZINC001241280677 821699389 /nfs/dbraw/zinc/69/93/89/821699389.db2.gz ROEMYJFEFBGYBH-UHFFFAOYSA-N -1 3 285.318 3.106 20 0 CGADHM [O-]c1cc(F)cc(-c2ccc3c(c2)C2(CC3)OCCO2)c1 ZINC001241282112 821700878 /nfs/dbraw/zinc/70/08/78/821700878.db2.gz IAMSIULHSGVLRC-UHFFFAOYSA-N -1 3 286.302 3.344 20 0 CGADHM CC1(C)Cc2cccc(-c3cc([O-])cc(F)c3)c2C(=O)N1 ZINC001241283005 821703274 /nfs/dbraw/zinc/70/32/74/821703274.db2.gz QESBWWSMHVZYEG-UHFFFAOYSA-N -1 3 285.318 3.263 20 0 CGADHM CCOC(=O)c1cc(C)c(-c2cc([O-])cc(F)c2)cn1 ZINC001241283576 821703330 /nfs/dbraw/zinc/70/33/30/821703330.db2.gz VOBQUEGTIMIWJK-UHFFFAOYSA-N -1 3 275.279 3.078 20 0 CGADHM COc1c(F)ccc(-c2cc([O-])cc(F)c2)c1OC ZINC001241283642 821703586 /nfs/dbraw/zinc/70/35/86/821703586.db2.gz WVHGTYGRORHWIN-UHFFFAOYSA-N -1 3 266.243 3.355 20 0 CGADHM [O-]c1ccc(F)c(-c2ccc3cnncc3c2)c1F ZINC001241291402 821707785 /nfs/dbraw/zinc/70/77/85/821707785.db2.gz OHTLJILQXZQXMD-UHFFFAOYSA-N -1 3 258.227 3.281 20 0 CGADHM COC(=O)CCc1ccc(-c2c(F)ccc([O-])c2F)cc1 ZINC001241291588 821708955 /nfs/dbraw/zinc/70/89/55/821708955.db2.gz ROBYNDOXZKWIOV-UHFFFAOYSA-N -1 3 292.281 3.443 20 0 CGADHM [O-]c1ccc(F)c(-c2ccnc(N3CCCC3)c2)c1F ZINC001241291836 821709748 /nfs/dbraw/zinc/70/97/48/821709748.db2.gz YYZIXYXOEFLIBR-UHFFFAOYSA-N -1 3 276.286 3.333 20 0 CGADHM [O-]c1ccc(F)c(-c2cccc3c2COCC3)c1F ZINC001241291842 821709832 /nfs/dbraw/zinc/70/98/32/821709832.db2.gz ZIRDELIARJKEDH-UHFFFAOYSA-N -1 3 262.255 3.410 20 0 CGADHM COC(=O)c1ccc(C)c(-c2c(F)ccc([O-])c2F)c1 ZINC001241292754 821709850 /nfs/dbraw/zinc/70/98/50/821709850.db2.gz JXJMDOPSZHFFGH-UHFFFAOYSA-N -1 3 278.254 3.432 20 0 CGADHM C[C@@H]1C(=O)Nc2ccc(-c3c(F)ccc([O-])c3F)cc21 ZINC001241293383 821710603 /nfs/dbraw/zinc/71/06/03/821710603.db2.gz UXUJNIITQWOENR-ZETCQYMHSA-N -1 3 275.254 3.393 20 0 CGADHM Cn1ccc2cc(-c3c(F)ccc([O-])c3F)ccc2c1=O ZINC001241293621 821711190 /nfs/dbraw/zinc/71/11/90/821711190.db2.gz ZTVORYZYROJDAZ-UHFFFAOYSA-N -1 3 287.265 3.189 20 0 CGADHM CCOC(=O)Cc1ccc(-c2c(F)ccc([O-])c2F)cc1 ZINC001241293103 821711224 /nfs/dbraw/zinc/71/12/24/821711224.db2.gz PSNKQHYNLHHITC-UHFFFAOYSA-N -1 3 292.281 3.443 20 0 CGADHM COc1c(F)ccc(-c2c(F)ccc([O-])c2F)c1OC ZINC001241295013 821712464 /nfs/dbraw/zinc/71/24/64/821712464.db2.gz FDQBJCCMPCLWEH-UHFFFAOYSA-N -1 3 284.233 3.494 20 0 CGADHM [O-]c1ccc(F)c(-c2cc3[nH]cnc3cc2F)c1F ZINC001241294133 821712734 /nfs/dbraw/zinc/71/27/34/821712734.db2.gz LJSOWDFNLWWIIG-UHFFFAOYSA-N -1 3 264.206 3.353 20 0 CGADHM COC(=O)c1cccc(-c2c(F)ccc([O-])c2F)c1OC ZINC001241293684 821712958 /nfs/dbraw/zinc/71/29/58/821712958.db2.gz ZODMNITXHWCOBN-UHFFFAOYSA-N -1 3 294.253 3.133 20 0 CGADHM CN1CCOc2ccc(-c3c(F)ccc([O-])c3F)cc21 ZINC001241295216 821713782 /nfs/dbraw/zinc/71/37/82/821713782.db2.gz JIZYOQIBCKAFLT-UHFFFAOYSA-N -1 3 277.270 3.166 20 0 CGADHM CC(C)(C)c1cccc(-c2cncc(-c3nnn[n-]3)c2)c1 ZINC001241302263 821717499 /nfs/dbraw/zinc/71/74/99/821717499.db2.gz QQIPKWHSYSNVPU-UHFFFAOYSA-N -1 3 279.347 3.226 20 0 CGADHM CC(C)(C)c1cccc(-c2cncc(-c3nn[n-]n3)c2)c1 ZINC001241302263 821717507 /nfs/dbraw/zinc/71/75/07/821717507.db2.gz QQIPKWHSYSNVPU-UHFFFAOYSA-N -1 3 279.347 3.226 20 0 CGADHM CCOc1cc(F)ccc1-c1ccccc1-c1nnn[n-]1 ZINC001241318604 821729100 /nfs/dbraw/zinc/72/91/00/821729100.db2.gz CLYZFXLCANEYAM-UHFFFAOYSA-N -1 3 284.294 3.072 20 0 CGADHM CCOc1cc(F)ccc1-c1ccccc1-c1nn[n-]n1 ZINC001241318604 821729107 /nfs/dbraw/zinc/72/91/07/821729107.db2.gz CLYZFXLCANEYAM-UHFFFAOYSA-N -1 3 284.294 3.072 20 0 CGADHM Fc1ccc(Cl)cc1-c1cc(-c2nnn[n-]2)ccc1F ZINC001241333071 821739692 /nfs/dbraw/zinc/73/96/92/821739692.db2.gz VLDATRHKNPXAEQ-UHFFFAOYSA-N -1 3 292.676 3.465 20 0 CGADHM Fc1ccc(Cl)cc1-c1cc(-c2nn[n-]n2)ccc1F ZINC001241333071 821739694 /nfs/dbraw/zinc/73/96/94/821739694.db2.gz VLDATRHKNPXAEQ-UHFFFAOYSA-N -1 3 292.676 3.465 20 0 CGADHM c1cc2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc2cn1 ZINC001241442697 821835904 /nfs/dbraw/zinc/83/59/04/821835904.db2.gz CQCSMFTUVOFQFK-UHFFFAOYSA-N -1 3 273.299 3.082 20 0 CGADHM c1cc2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc2cn1 ZINC001241442697 821835908 /nfs/dbraw/zinc/83/59/08/821835908.db2.gz CQCSMFTUVOFQFK-UHFFFAOYSA-N -1 3 273.299 3.082 20 0 CGADHM Fc1cc(-c2ccc(-c3nnn[n-]3)cc2)cc2ccoc21 ZINC001241446940 821842357 /nfs/dbraw/zinc/84/23/57/821842357.db2.gz ZTBAUPUKVONTPY-UHFFFAOYSA-N -1 3 280.262 3.419 20 0 CGADHM Fc1cc(-c2ccc(-c3nn[n-]n3)cc2)cc2ccoc21 ZINC001241446940 821842365 /nfs/dbraw/zinc/84/23/65/821842365.db2.gz ZTBAUPUKVONTPY-UHFFFAOYSA-N -1 3 280.262 3.419 20 0 CGADHM CCCOc1cccc(-c2cccc(-c3nnn[n-]3)c2)c1 ZINC001241590517 821975978 /nfs/dbraw/zinc/97/59/78/821975978.db2.gz CJHHJHGRONVDTG-UHFFFAOYSA-N -1 3 280.331 3.323 20 0 CGADHM CCCOc1cccc(-c2cccc(-c3nn[n-]n3)c2)c1 ZINC001241590517 821975986 /nfs/dbraw/zinc/97/59/86/821975986.db2.gz CJHHJHGRONVDTG-UHFFFAOYSA-N -1 3 280.331 3.323 20 0 CGADHM Fc1cc(-c2ccc3ccncc3c2)ccc1-c1nnn[n-]1 ZINC001241676433 822059990 /nfs/dbraw/zinc/05/99/90/822059990.db2.gz SZUOKSAXMIPDBS-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Fc1cc(-c2ccc3ccncc3c2)ccc1-c1nn[n-]n1 ZINC001241676433 822060001 /nfs/dbraw/zinc/06/00/01/822060001.db2.gz SZUOKSAXMIPDBS-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Cc1cscc1-c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001241730538 822109026 /nfs/dbraw/zinc/10/90/26/822109026.db2.gz NZWIQNNIKYRACG-UHFFFAOYSA-N -1 3 260.297 3.043 20 0 CGADHM Cc1cscc1-c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001241730538 822109029 /nfs/dbraw/zinc/10/90/29/822109029.db2.gz NZWIQNNIKYRACG-UHFFFAOYSA-N -1 3 260.297 3.043 20 0 CGADHM COc1cc(Cl)ccc1-c1ccc(-c2nnn[n-]2)cc1 ZINC001241897368 822202308 /nfs/dbraw/zinc/20/23/08/822202308.db2.gz PACQTXOHDGLTCV-UHFFFAOYSA-N -1 3 286.722 3.196 20 0 CGADHM COc1cc(Cl)ccc1-c1ccc(-c2nn[n-]n2)cc1 ZINC001241897368 822202312 /nfs/dbraw/zinc/20/23/12/822202312.db2.gz PACQTXOHDGLTCV-UHFFFAOYSA-N -1 3 286.722 3.196 20 0 CGADHM COc1cccc2[nH]c(-c3ccc(-c4nnn[n-]4)cc3)cc21 ZINC001241998940 822268447 /nfs/dbraw/zinc/26/84/47/822268447.db2.gz HMUDCZNJAUDGRD-UHFFFAOYSA-N -1 3 291.314 3.024 20 0 CGADHM COc1cccc2[nH]c(-c3ccc(-c4nn[n-]n4)cc3)cc21 ZINC001241998940 822268455 /nfs/dbraw/zinc/26/84/55/822268455.db2.gz HMUDCZNJAUDGRD-UHFFFAOYSA-N -1 3 291.314 3.024 20 0 CGADHM Cc1ccc(-c2ccc(C)c(-c3nnn[n-]3)c2)c(F)c1F ZINC001242032000 822296074 /nfs/dbraw/zinc/29/60/74/822296074.db2.gz RPRCUECZVBOCPS-UHFFFAOYSA-N -1 3 286.285 3.429 20 0 CGADHM Cc1ccc(-c2ccc(C)c(-c3nn[n-]n3)c2)c(F)c1F ZINC001242032000 822296084 /nfs/dbraw/zinc/29/60/84/822296084.db2.gz RPRCUECZVBOCPS-UHFFFAOYSA-N -1 3 286.285 3.429 20 0 CGADHM [O-]c1ccc(-c2cnc(N3CCC3)nc2)cc1C(F)(F)F ZINC001242157565 822899099 /nfs/dbraw/zinc/89/90/99/822899099.db2.gz IZOQFASLWQLMOJ-UHFFFAOYSA-N -1 3 295.264 3.078 20 0 CGADHM O=C1c2cccc(-c3ccc(F)cc3[O-])c2CN1C1CC1 ZINC001242218887 822915439 /nfs/dbraw/zinc/91/54/39/822915439.db2.gz SCGIEULVAMIUJO-UHFFFAOYSA-N -1 3 283.302 3.317 20 0 CGADHM Cn1ccc2cc(-c3ccc(F)cc3[O-])ccc2c1=O ZINC001242220513 822916884 /nfs/dbraw/zinc/91/68/84/822916884.db2.gz BJSDDDPUAXKZPS-UHFFFAOYSA-N -1 3 269.275 3.050 20 0 CGADHM COc1cc(-c2ccc(F)cc2[O-])c2cc[nH]c2n1 ZINC001242221010 822916958 /nfs/dbraw/zinc/91/69/58/822916958.db2.gz HOJGMAPPYNBGMR-UHFFFAOYSA-N -1 3 258.252 3.083 20 0 CGADHM CN1Cc2ccc(-c3cccc(F)c3[O-])cc2NC1=O ZINC001242352288 822962230 /nfs/dbraw/zinc/96/22/30/822962230.db2.gz FVHUISXTYVUEPV-UHFFFAOYSA-N -1 3 272.279 3.176 20 0 CGADHM CN1CCOc2ccc(-c3cccc(F)c3[O-])cc21 ZINC001242354273 822963295 /nfs/dbraw/zinc/96/32/95/822963295.db2.gz UYUOMEKMYSOTFB-UHFFFAOYSA-N -1 3 259.280 3.027 20 0 CGADHM COc1ccc(C(=O)[O-])cc1-c1ccc2c(c1)CN(C)CC2 ZINC001242393198 822979832 /nfs/dbraw/zinc/97/98/32/822979832.db2.gz OVKVBSXUYWSZPA-UHFFFAOYSA-N -1 3 297.354 3.048 20 0 CGADHM CCc1ncsc1C(=O)[N-]c1cnoc1C(C)C ZINC001339148034 936354305 /nfs/dbraw/zinc/35/43/05/936354305.db2.gz INLUAGIXNAULSL-UHFFFAOYSA-N -1 3 265.338 3.069 20 0 CGADHM CCC[C@H](C)CCCOC(=O)CCc1c(C)nc[n-]c1=O ZINC001351458563 937017773 /nfs/dbraw/zinc/01/77/73/937017773.db2.gz QFOCDVNRPVBBCS-LBPRGKRZSA-N -1 3 294.395 3.183 20 0 CGADHM CCc1c(=O)n(Cc2ccccn2)[n-]c1-c1cccc(C)c1 ZINC001352085882 937035783 /nfs/dbraw/zinc/03/57/83/937035783.db2.gz WLCNBEGCVPUNDG-INIZCTEOSA-N -1 3 293.370 3.163 20 0 CGADHM O=C(C=CC1CCCCC1)Nc1n[n-]c(-c2ccco2)n1 ZINC001355033698 937120245 /nfs/dbraw/zinc/12/02/45/937120245.db2.gz HMQITQGFDZWMLK-HJWRWDBZSA-N -1 3 286.335 3.140 20 0 CGADHM CCc1ncc(Cl)c(C(=O)[N-]c2c(F)cccc2F)n1 ZINC001355199110 937129090 /nfs/dbraw/zinc/12/90/90/937129090.db2.gz LHJNYKHNAIJHIZ-UHFFFAOYSA-N -1 3 297.692 3.223 20 0 CGADHM C/C(=C\c1ccco1)C(=O)Nc1cccc([O-])c1F ZINC001545836024 937248399 /nfs/dbraw/zinc/24/83/99/937248399.db2.gz YMZSOPMXSRAXHS-CMDGGOBGSA-N -1 3 261.252 3.166 20 0 CGADHM CCN(CC)c1ccc(NC(=O)c2c(C)cccc2[O-])cn1 ZINC001441479022 937338703 /nfs/dbraw/zinc/33/87/03/937338703.db2.gz DMJWCRRCWZENHE-UHFFFAOYSA-N -1 3 299.374 3.194 20 0 CGADHM C[C@H]1CCCC[C@@H]1CC(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC001450051579 937382922 /nfs/dbraw/zinc/38/29/22/937382922.db2.gz POXPQWJBNSIFJO-WDEREUQCSA-N -1 3 287.363 3.423 20 0 CGADHM O=C(NC[C@@H]1CC=CC[C@H]1C(F)(F)F)c1ccccc1[O-] ZINC001454878650 937412821 /nfs/dbraw/zinc/41/28/21/937412821.db2.gz JVXHGDYNRKIGDC-CMPLNLGQSA-N -1 3 299.292 3.267 20 0 CGADHM C=C/C=C/CCNC(=O)c1cc2sccc2c([O-])c1 ZINC001455302899 937417378 /nfs/dbraw/zinc/41/73/78/937417378.db2.gz LQKONJPTOKTMJV-ONEGZZNKSA-N -1 3 273.357 3.469 20 0 CGADHM COc1cccc(C(=O)Nc2c[nH]c3ccccc23)c1[O-] ZINC001456321571 937428879 /nfs/dbraw/zinc/42/88/79/937428879.db2.gz PJIJPVGMTICUNY-UHFFFAOYSA-N -1 3 282.299 3.134 20 0 CGADHM O=C(Nc1nc2c(o1)CCCC2)c1cc([O-])ccc1Cl ZINC001457103152 937438423 /nfs/dbraw/zinc/43/84/23/937438423.db2.gz YJUSPCTVQCHUTQ-UHFFFAOYSA-N -1 3 292.722 3.165 20 0 CGADHM Cc1cscc1NC(=O)c1c[n-]c2ccc(C)cc2c1=O ZINC001457715688 937444853 /nfs/dbraw/zinc/44/48/53/937444853.db2.gz GJCWAHJLXGMJNT-UHFFFAOYSA-N -1 3 298.367 3.459 20 0 CGADHM C[C@@H](Oc1nc(=S)[n-]c2sccc21)C1CC1 ZINC001229566903 932173213 /nfs/dbraw/zinc/17/32/13/932173213.db2.gz TUDXVELYQDEMFN-ZCFIWIBFSA-N -1 3 252.364 3.157 20 0 CGADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)c1cccc(F)c1 ZINC001229952376 932507829 /nfs/dbraw/zinc/50/78/29/932507829.db2.gz BKTQUHYSGSBECF-SNVBAGLBSA-N -1 3 284.294 3.146 20 0 CGADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)c1cccc(F)c1 ZINC001229952376 932507835 /nfs/dbraw/zinc/50/78/35/932507835.db2.gz BKTQUHYSGSBECF-SNVBAGLBSA-N -1 3 284.294 3.146 20 0 CGADHM CCC[C@@H](Oc1ccccc1-c1nnn[n-]1)[C@H](C)CC ZINC001229954796 932510012 /nfs/dbraw/zinc/51/00/12/932510012.db2.gz PNHGECZSCKBWGG-DGCLKSJQSA-N -1 3 274.368 3.460 20 0 CGADHM CCC[C@@H](Oc1ccccc1-c1nn[n-]n1)[C@H](C)CC ZINC001229954796 932510015 /nfs/dbraw/zinc/51/00/15/932510015.db2.gz PNHGECZSCKBWGG-DGCLKSJQSA-N -1 3 274.368 3.460 20 0 CGADHM C[C@H]1C[C@H](Oc2ccccc2-c2nnn[n-]2)C[C@@H](C)C1 ZINC001229954500 932510200 /nfs/dbraw/zinc/51/02/00/932510200.db2.gz LNRZXPMFFUHTPV-GDNZZTSVSA-N -1 3 272.352 3.070 20 0 CGADHM C[C@H]1C[C@H](Oc2ccccc2-c2nn[n-]n2)C[C@@H](C)C1 ZINC001229954500 932510203 /nfs/dbraw/zinc/51/02/03/932510203.db2.gz LNRZXPMFFUHTPV-GDNZZTSVSA-N -1 3 272.352 3.070 20 0 CGADHM O=c1nc2cccc(F)c2c(O[C@@H]2CCCC[C@@H]2F)[n-]1 ZINC001231075286 932673009 /nfs/dbraw/zinc/67/30/09/932673009.db2.gz ZOQSKHRRNKJRAS-GZMMTYOYSA-N -1 3 280.274 3.134 20 0 CGADHM COc1ccc([O-])c(C(=O)Nc2cncc(C(C)C)c2)c1 ZINC001304319794 932848979 /nfs/dbraw/zinc/84/89/79/932848979.db2.gz YPIHYXCGWIUZKS-UHFFFAOYSA-N -1 3 286.331 3.172 20 0 CGADHM CCc1ccc2c(c1)CN(C(=O)c1c(C)cccc1[O-])CC2 ZINC001305981634 932872090 /nfs/dbraw/zinc/87/20/90/932872090.db2.gz UIECHPLVBJBAFT-UHFFFAOYSA-N -1 3 295.382 3.462 20 0 CGADHM [O-]c1ccc(CNc2cccc3nccnc32)cc1F ZINC001462527658 937647823 /nfs/dbraw/zinc/64/78/23/937647823.db2.gz GGOOHSMXAWOQLY-UHFFFAOYSA-N -1 3 269.279 3.087 20 0 CGADHM COc1csc(C(=O)[N-]c2cc(C(C)(C)F)on2)c1 ZINC001463521554 937675791 /nfs/dbraw/zinc/67/57/91/937675791.db2.gz NJWFPMYJYFIISF-UHFFFAOYSA-N -1 3 284.312 3.202 20 0 CGADHM C=C/C=C\CC(=O)Nc1ccc(Br)cc1[O-] ZINC001464143206 937687022 /nfs/dbraw/zinc/68/70/22/937687022.db2.gz VKONVFYSUCYYFD-ARJAWSKDSA-N -1 3 282.137 3.226 20 0 CGADHM CC(C)(F)C[N-]S(=O)(=O)c1ccc2ccccc2c1F ZINC001464203972 937687481 /nfs/dbraw/zinc/68/74/81/937687481.db2.gz BTTFKLFTEUIXKP-UHFFFAOYSA-N -1 3 299.342 3.005 20 0 CGADHM Cc1cccc([O-])c1C(=O)Nc1cc(O)c(C)cc1C ZINC001466689604 937711449 /nfs/dbraw/zinc/71/14/49/937711449.db2.gz DPGIAYAUAGZCGL-UHFFFAOYSA-N -1 3 271.316 3.275 20 0 CGADHM C[C@@H]1CC(C(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)C[C@@H](C)C1 ZINC001468309345 937726951 /nfs/dbraw/zinc/72/69/51/937726951.db2.gz BETQUDIDQGERON-UWVGGRQHSA-N -1 3 287.363 3.279 20 0 CGADHM O=C([N-]Cc1ccco1)C(F)(F)c1ccc(Cl)cc1 ZINC001321681965 934203476 /nfs/dbraw/zinc/20/34/76/934203476.db2.gz NZWMYKLJNOUNLH-UHFFFAOYSA-N -1 3 285.677 3.341 20 0 CGADHM Cc1ccc(C(=O)NCCC[C@H]2C=CCC2)c([O-])c1 ZINC001471684590 937768362 /nfs/dbraw/zinc/76/83/62/937768362.db2.gz BGQMHVLWAXBFIG-ZDUSSCGKSA-N -1 3 259.349 3.177 20 0 CGADHM Cc1ccc(CCC(=O)[N-]Oc2ccccc2F)c(C)c1 ZINC001471717497 937768932 /nfs/dbraw/zinc/76/89/32/937768932.db2.gz SDLWEWWXASIDBB-UHFFFAOYSA-N -1 3 287.334 3.485 20 0 CGADHM CCOc1ccc(CCNC(=O)c2ccc(C)cc2[O-])cc1 ZINC001472236127 937774176 /nfs/dbraw/zinc/77/41/76/937774176.db2.gz HWTLQOZJQDQOEG-UHFFFAOYSA-N -1 3 299.370 3.072 20 0 CGADHM CCCCC1(C(=O)[N-]OCCOc2ccccc2)CC1 ZINC001472341956 937775824 /nfs/dbraw/zinc/77/58/24/937775824.db2.gz OMFYSVFUNKNSSH-UHFFFAOYSA-N -1 3 277.364 3.084 20 0 CGADHM C[C@@H](CC1CCCCC1)C(=O)[N-]OCCC1CC1 ZINC001325151466 934889579 /nfs/dbraw/zinc/88/95/79/934889579.db2.gz NGBMTGHUVVCHSR-LBPRGKRZSA-N -1 3 253.386 3.441 20 0 CGADHM CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC001325210009 934894235 /nfs/dbraw/zinc/89/42/35/934894235.db2.gz KQOQBSKJBCBOIE-MXWKQRLJSA-N -1 3 265.319 3.373 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)N1CC[C@@H]2CCCC[C@H]2C1 ZINC001326427965 934979240 /nfs/dbraw/zinc/97/92/40/934979240.db2.gz WLLWOPIGYQGRMV-KBPBESRZSA-N -1 3 291.366 3.113 20 0 CGADHM C[C@@H](NC1CC(CC(=O)[O-])C1)c1nc(C(C)(C)C)cs1 ZINC001331967085 935427937 /nfs/dbraw/zinc/42/79/37/935427937.db2.gz CROVQMSNQMZCFO-KPPDAEKUSA-N -1 3 296.436 3.345 20 0 CGADHM COc1ccc(CN(C)C(C)(C)CC(=O)[O-])c(Cl)c1 ZINC001332433664 935469131 /nfs/dbraw/zinc/46/91/31/935469131.db2.gz WNGFRWCFZSSBGX-UHFFFAOYSA-N -1 3 285.771 3.034 20 0 CGADHM CSC(C)(C)CCN(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC001333123217 935512372 /nfs/dbraw/zinc/51/23/72/935512372.db2.gz ZLKYSJKLKKADIA-UHFFFAOYSA-N -1 3 285.409 3.250 20 0 CGADHM O=C(CCCc1ccc([O-])c(F)c1)OCC1CC=CC1 ZINC001333216547 935518688 /nfs/dbraw/zinc/51/86/88/935518688.db2.gz NMHNQLWUCXJPBI-UHFFFAOYSA-N -1 3 278.323 3.363 20 0 CGADHM Cc1cc(=O)[n-]c(NC[C@H]2CCCO[C@H]2c2ccccc2)n1 ZINC001337746795 936285892 /nfs/dbraw/zinc/28/58/92/936285892.db2.gz RJQZZSYFARFSFP-ZBFHGGJFSA-N -1 3 299.374 3.070 20 0 CGADHM [O-]c1ccc(CNCc2cc(F)cnc2Cl)cc1F ZINC001474543662 937865734 /nfs/dbraw/zinc/86/57/34/937865734.db2.gz ZZRQXWOVCOPNRM-UHFFFAOYSA-N -1 3 284.693 3.009 20 0 CGADHM CC(C)[C@]1(C)C[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC001475371125 937882865 /nfs/dbraw/zinc/88/28/65/937882865.db2.gz NQEALXDUQGHYOB-KWQFWETISA-N -1 3 293.841 3.114 20 0 CGADHM CCC(NC(=O)Cc1cccc([O-])c1F)(C1CC1)C1CC1 ZINC001549651203 938013273 /nfs/dbraw/zinc/01/32/73/938013273.db2.gz BDYOBVAEBNKRAB-UHFFFAOYSA-N -1 3 291.366 3.159 20 0 CGADHM CSc1cc(F)ccc1[N-]C(=O)c1cnc(Cl)cn1 ZINC001529660587 938074223 /nfs/dbraw/zinc/07/42/23/938074223.db2.gz KJNPOGXXCSEJOI-UHFFFAOYSA-N -1 3 297.742 3.243 20 0 CGADHM O=C([N-]c1cc(F)ccn1)c1c(F)c(F)cc(F)c1F ZINC001538461174 938118199 /nfs/dbraw/zinc/11/81/99/938118199.db2.gz TUWZDSHTXVSYBW-UHFFFAOYSA-N -1 3 288.175 3.029 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)NCc1cccc(Cl)c1 ZINC001539517942 938124973 /nfs/dbraw/zinc/12/49/73/938124973.db2.gz JWFNVSHQTLWTRE-UHFFFAOYSA-N -1 3 293.725 3.044 20 0 CGADHM Cc1coc(C(=O)Nc2ccc(Br)cc2[O-])c1 ZINC001540786126 938133904 /nfs/dbraw/zinc/13/39/04/938133904.db2.gz PIXKWMILWIOJFR-UHFFFAOYSA-N -1 3 296.120 3.308 20 0 CGADHM CCc1ccc(C(=O)NCc2sccc2C)c([O-])c1 ZINC001542403483 938135918 /nfs/dbraw/zinc/13/59/18/938135918.db2.gz XKJYTSHXFQBBNY-UHFFFAOYSA-N -1 3 275.373 3.255 20 0 CGADHM CN(Cc1ccoc1)C(=O)c1cc2sccc2c([O-])c1 ZINC001543511697 938139967 /nfs/dbraw/zinc/13/99/67/938139967.db2.gz WYARMNCOBBFTOL-UHFFFAOYSA-N -1 3 287.340 3.472 20 0 CGADHM CSC(C)(C)CNC(=O)c1cc2sccc2c([O-])c1 ZINC001544825808 938147261 /nfs/dbraw/zinc/14/72/61/938147261.db2.gz ICHPQHSIJJTREQ-UHFFFAOYSA-N -1 3 295.429 3.478 20 0 CGADHM COc1cccc([O-])c1C(=O)N[C@@H](C)[C@@H](C)c1ccccc1 ZINC001545158169 938148926 /nfs/dbraw/zinc/14/89/26/938148926.db2.gz JKUZZHLKCAHGTH-OLZOCXBDSA-N -1 3 299.370 3.323 20 0 CGADHM Cc1cnc2ccccc2c1N1C[C@H](C(=O)[O-])[C@@H](C2CC2)C1 ZINC001551355920 938180491 /nfs/dbraw/zinc/18/04/91/938180491.db2.gz RGPQJJNKXWGRCJ-CABCVRRESA-N -1 3 296.370 3.090 20 0 CGADHM CC(C)(C)O[N-]C(=O)[C@@H]1C2CCC(CC2)[C@@H]1C(F)(F)F ZINC001552136283 938189932 /nfs/dbraw/zinc/18/99/32/938189932.db2.gz IWNCIKYZVSZNLD-LXKPXOPUSA-N -1 3 293.329 3.447 20 0 CGADHM Cc1coc(C(=O)Nc2cc(Br)ccc2[O-])c1 ZINC001556082447 938201719 /nfs/dbraw/zinc/20/17/19/938201719.db2.gz PWUAATKUFKCKOY-UHFFFAOYSA-N -1 3 296.120 3.308 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CCc2cc(F)cc(C)c2C1 ZINC001556347344 938203208 /nfs/dbraw/zinc/20/32/08/938203208.db2.gz APBTYHAJYVWIBL-UHFFFAOYSA-N -1 3 299.345 3.347 20 0 CGADHM CCCC[C@@H](C)C(=O)Nc1cc(C(=O)OC(C)(C)C)n[n-]1 ZINC001557148640 938208117 /nfs/dbraw/zinc/20/81/17/938208117.db2.gz BKPLPDZMVGDFKG-SNVBAGLBSA-N -1 3 295.383 3.130 20 0 CGADHM CCCC[C@@H](C)C(=O)Nc1cc(C(=O)OC(C)(C)C)[n-]n1 ZINC001557148640 938208118 /nfs/dbraw/zinc/20/81/18/938208118.db2.gz BKPLPDZMVGDFKG-SNVBAGLBSA-N -1 3 295.383 3.130 20 0 CGADHM CSc1ccc([O-])c(C(=O)NC[C@@H]2CC[C@@H]3C[C@@H]3C2)c1 ZINC001557633515 938211126 /nfs/dbraw/zinc/21/11/26/938211126.db2.gz GAUJJEBICJPRLY-UTUOFQBUSA-N -1 3 291.416 3.280 20 0 CGADHM O=C(N[C@H]1C[C@H](Sc2ccccc2)C1)c1ccccc1[O-] ZINC001557767285 938211613 /nfs/dbraw/zinc/21/16/13/938211613.db2.gz QRMDMVJJKFUQIG-MQMHXKEQSA-N -1 3 299.395 3.445 20 0 CGADHM [O-]c1cc(Br)cnc1CN1CCCCCCC1 ZINC001560720808 938271836 /nfs/dbraw/zinc/27/18/36/938271836.db2.gz KDSPFHGRJKDWCW-UHFFFAOYSA-N -1 3 299.212 3.316 20 0 CGADHM O=C([O-])[C@@H]1CC[C@H](N[C@@H](c2ccccc2)c2ccccn2)C1 ZINC001601791896 971049570 /nfs/dbraw/zinc/04/95/70/971049570.db2.gz SJDVEFUVYKWUJZ-VYDXJSESSA-N -1 3 296.370 3.014 20 0 CGADHM CCOc1cccc(Cl)c1CN1CCC[C@]1(C)C(=O)[O-] ZINC001592993917 951384793 /nfs/dbraw/zinc/38/47/93/951384793.db2.gz XYBWSNREMGAGFM-OAHLLOKOSA-N -1 3 297.782 3.178 20 0 CGADHM C[C@](NCc1cccc(F)c1)(C(=O)[O-])c1ccc(F)cc1 ZINC000041768175 957394115 /nfs/dbraw/zinc/39/41/15/957394115.db2.gz SFGDEWWNQKBEGC-MRXNPFEDSA-N -1 3 291.297 3.054 20 0 CGADHM COc1ccccc1[C@H](C)N[C@H](C(=O)[O-])c1ccccc1 ZINC000050508917 957492504 /nfs/dbraw/zinc/49/25/04/957492504.db2.gz GASRSLZPLRMIGH-LRDDRELGSA-N -1 3 285.343 3.172 20 0 CGADHM C[C@@H](NCc1ccccc1CC(=O)[O-])c1ccsc1 ZINC000123423372 958500320 /nfs/dbraw/zinc/50/03/20/958500320.db2.gz NWXDPTGYVHMAOF-LLVKDONJSA-N -1 3 275.373 3.226 20 0 CGADHM O=C([O-])[C@H](N[C@@H]1CCC(F)(F)C1)c1ccccc1Cl ZINC001601665810 960541121 /nfs/dbraw/zinc/54/11/21/960541121.db2.gz HDIAVDDGDYFCNF-LDYMZIIASA-N -1 3 289.709 3.243 20 0 CGADHM CC[C@@H](CC(=O)Nc1ncccc1[O-])C(C)(C)C ZINC001567485952 961346066 /nfs/dbraw/zinc/34/60/66/961346066.db2.gz XCVQJXMIQSRGSW-JTQLQIEISA-N -1 3 250.342 3.188 20 0 CGADHM CC[C@H](CC(=O)Nc1ncccc1[O-])C(C)(C)C ZINC001567485953 961349877 /nfs/dbraw/zinc/34/98/77/961349877.db2.gz XCVQJXMIQSRGSW-SNVBAGLBSA-N -1 3 250.342 3.188 20 0 CGADHM Cn1ccc2ccc(NC(=O)Cc3ccc([O-])c(F)c3)cc21 ZINC001567707353 961409224 /nfs/dbraw/zinc/40/92/24/961409224.db2.gz TYOJHUWSUJBHJK-UHFFFAOYSA-N -1 3 298.317 3.204 20 0 CGADHM CC1(C)CN(CCC2(C(=O)[O-])CCC2)[C@H]1c1cccnc1 ZINC001573676205 962265037 /nfs/dbraw/zinc/26/50/37/962265037.db2.gz WDTJEDXIRQJIFL-AWEZNQCLSA-N -1 3 288.391 3.110 20 0 CGADHM CC1(C)c2ccccc2CCN1Cc1c[nH]c(C(=O)[O-])c1 ZINC001574454037 962298930 /nfs/dbraw/zinc/29/89/30/962298930.db2.gz YYHHSFGDSNKSGF-UHFFFAOYSA-N -1 3 284.359 3.006 20 0 CGADHM C[C@@H]1CCCC[C@H]1N(C)c1cc(F)ccc1-c1nnn[n-]1 ZINC001576163399 962440544 /nfs/dbraw/zinc/44/05/44/962440544.db2.gz ASTNUPWVLIEQEH-ZWNOBZJWSA-N -1 3 289.358 3.021 20 0 CGADHM C[C@@H]1CCCC[C@H]1N(C)c1cc(F)ccc1-c1nn[n-]n1 ZINC001576163399 962440548 /nfs/dbraw/zinc/44/05/48/962440548.db2.gz ASTNUPWVLIEQEH-ZWNOBZJWSA-N -1 3 289.358 3.021 20 0 CGADHM CCCC[C@@H](CC)CNc1nccc(C)c1-c1nnn[n-]1 ZINC001577458958 962544881 /nfs/dbraw/zinc/54/48/81/962544881.db2.gz UBFBYKNJKPYNPG-GFCCVEGCSA-N -1 3 288.399 3.198 20 0 CGADHM CCCC[C@@H](CC)CNc1nccc(C)c1-c1nn[n-]n1 ZINC001577458958 962544898 /nfs/dbraw/zinc/54/48/98/962544898.db2.gz UBFBYKNJKPYNPG-GFCCVEGCSA-N -1 3 288.399 3.198 20 0 CGADHM Cc1ccc(SCCC(C)C)c(-c2nnn[n-]2)c1 ZINC001581214074 962753384 /nfs/dbraw/zinc/75/33/84/962753384.db2.gz YTXCNMGWBFNLFK-UHFFFAOYSA-N -1 3 262.382 3.313 20 0 CGADHM Cc1ccc(SCCC(C)C)c(-c2nn[n-]n2)c1 ZINC001581214074 962753405 /nfs/dbraw/zinc/75/34/05/962753405.db2.gz YTXCNMGWBFNLFK-UHFFFAOYSA-N -1 3 262.382 3.313 20 0 CGADHM COc1cc(F)c(C(=O)[N-]c2conc2C)c(Cl)c1 ZINC001586345157 963097783 /nfs/dbraw/zinc/09/77/83/963097783.db2.gz DAMHJKJPMZWARA-UHFFFAOYSA-N -1 3 284.674 3.036 20 0 CGADHM CSc1ccc([O-])c(C(=O)NC[C@H]2CCCC23CC3)c1 ZINC001586686447 963127763 /nfs/dbraw/zinc/12/77/63/963127763.db2.gz XHXJJSVNFBXZEK-LLVKDONJSA-N -1 3 291.416 3.424 20 0 CGADHM CCc1cccc(C(=O)N[C@H]2CCCc3occc32)c1[O-] ZINC001586772096 963138376 /nfs/dbraw/zinc/13/83/76/963138376.db2.gz XWCRJFDXUJZXOL-AWEZNQCLSA-N -1 3 285.343 3.355 20 0 CGADHM C[C@H]1CCCN1C(=O)c1cc2sccc2c([O-])c1 ZINC001586832842 963143502 /nfs/dbraw/zinc/14/35/02/963143502.db2.gz WZWAZVMQVPASQR-VIFPVBQESA-N -1 3 261.346 3.231 20 0 CGADHM C1=C[C@@H]2C[C@H]1C[C@@H]2CSc1ccccc1-c1nnn[n-]1 ZINC001588386995 963269400 /nfs/dbraw/zinc/26/94/00/963269400.db2.gz RQYGSWIDRBCBDV-QJPTWQEYSA-N -1 3 284.388 3.171 20 0 CGADHM C1=C[C@@H]2C[C@H]1C[C@@H]2CSc1ccccc1-c1nn[n-]n1 ZINC001588386995 963269408 /nfs/dbraw/zinc/26/94/08/963269408.db2.gz RQYGSWIDRBCBDV-QJPTWQEYSA-N -1 3 284.388 3.171 20 0 CGADHM C/C(=C/CN1CC=C(c2cccc(Cl)c2)CC1)C(=O)[O-] ZINC001588958588 963332407 /nfs/dbraw/zinc/33/24/07/963332407.db2.gz MJMCTQPNIRSPIY-XGICHPGQSA-N -1 3 291.778 3.460 20 0 CGADHM C/C(=C\CN1CC[C@@H](c2cccc(Cl)c2)C1)C(=O)[O-] ZINC001588960166 963337835 /nfs/dbraw/zinc/33/78/35/963337835.db2.gz YFJOTAXTYQEXDZ-HQIZRNBFSA-N -1 3 279.767 3.160 20 0 CGADHM C[C@H](N[C@H]1C[C@H](C(=O)[O-])c2ccccc21)c1ccoc1 ZINC001589123603 963343518 /nfs/dbraw/zinc/34/35/18/963343518.db2.gz MWGZYXRCBHIWSU-LKTVYLICSA-N -1 3 271.316 3.243 20 0 CGADHM CCC[C@H](C)CCNC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC001589661631 964012598 /nfs/dbraw/zinc/01/25/98/964012598.db2.gz DXRVUVGBZKMRIH-NSHDSACASA-N -1 3 277.364 3.151 20 0 CGADHM Cc1oc(CN(C)CCCC(F)(F)F)cc1C(=O)[O-] ZINC000402789214 973649260 /nfs/dbraw/zinc/64/92/60/973649260.db2.gz GELHLJZWBJHUMC-UHFFFAOYSA-N -1 3 279.258 3.061 20 0 CGADHM COc1ccc(Cl)cc1CN1[C@H](C)CCC[C@@H]1C(=O)[O-] ZINC001604799442 974035603 /nfs/dbraw/zinc/03/56/03/974035603.db2.gz PZDFUFVMIBMDHO-ZWNOBZJWSA-N -1 3 297.782 3.176 20 0 CGADHM Cc1[nH]c(CN2CC[C@H]3CCCC[C@@H]3C2)cc1C(=O)[O-] ZINC001599964394 985869651 /nfs/dbraw/zinc/86/96/51/985869651.db2.gz ZJPZIMQQPHOBOS-CHWSQXEVSA-N -1 3 276.380 3.033 20 0 CGADHM CC(C)=CCN1CCCC[C@@H]1c1ccc(C(=O)[O-])n1C ZINC001590920926 990907722 /nfs/dbraw/zinc/90/77/22/990907722.db2.gz JDSYQXHSRFXQDN-CQSZACIVSA-N -1 3 276.380 3.217 20 0 CGADHM C[C@H](N[C@@H](C(=O)[O-])c1cccc(Cl)c1)c1cccnc1 ZINC001593194672 994139243 /nfs/dbraw/zinc/13/92/43/994139243.db2.gz LFKFWQVRLAIWSU-IINYFYTJSA-N -1 3 290.750 3.212 20 0 CGADHM C[C@@H](c1cccc(Cl)c1F)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001593698387 996164171 /nfs/dbraw/zinc/16/41/71/996164171.db2.gz ILOYHDWSFZILHI-WCABBAIRSA-N -1 3 285.746 3.193 20 0 CGADHM C[C@H](c1ncc(C(=O)[O-])s1)N1CC[C@H](C2CCC2)C1 ZINC001593732110 996307957 /nfs/dbraw/zinc/30/79/57/996307957.db2.gz OCKRWBNWQLXEDR-KOLCDFICSA-N -1 3 280.393 3.024 20 0 CGADHM C[C@@H](c1ncc(C(=O)[O-])s1)N(CCC1CC1)CC1CC1 ZINC001593732573 996314338 /nfs/dbraw/zinc/31/43/38/996314338.db2.gz XJUKYRSBGMIIJU-JTQLQIEISA-N -1 3 294.420 3.414 20 0 CGADHM C[C@@H](c1ncc(C(C)(C)C)o1)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC001593737937 996341578 /nfs/dbraw/zinc/34/15/78/996341578.db2.gz UQAZIGIOMYPBBN-MMPTUQATSA-N -1 3 294.395 3.076 20 0 CGADHM CC1(C)CCCN(Cc2cc(C(=O)[O-])c3n2CCCC3)C1 ZINC001593910460 996793967 /nfs/dbraw/zinc/79/39/67/996793967.db2.gz SYHIKADAMLAFOB-UHFFFAOYSA-N -1 3 290.407 3.145 20 0 CGADHM CC(C)c1[nH]c(CN2CCS[C@@H](C)CC2)cc1C(=O)[O-] ZINC001594423501 999581456 /nfs/dbraw/zinc/58/14/56/999581456.db2.gz YCBHBTCTWOTQIS-NSHDSACASA-N -1 3 296.436 3.164 20 0 CGADHM CCOC(=O)c1ccc(NC(=O)CCCC2CC2)c([O-])c1 ZINC000589702114 346809227 /nfs/dbraw/zinc/80/92/27/346809227.db2.gz NWXJLHIXMOYETI-UHFFFAOYSA-N -1 3 291.347 3.088 20 0 CGADHM CSc1nnc(NC(=O)CC2CCC(C)(C)CC2)[n-]1 ZINC000337451179 214089662 /nfs/dbraw/zinc/08/96/62/214089662.db2.gz NSPZIHCKYKHYOK-UHFFFAOYSA-N -1 3 282.413 3.072 20 0 CGADHM CSc1n[n-]c(NC(=O)CC2CCC(C)(C)CC2)n1 ZINC000337451179 214089666 /nfs/dbraw/zinc/08/96/66/214089666.db2.gz NSPZIHCKYKHYOK-UHFFFAOYSA-N -1 3 282.413 3.072 20 0 CGADHM CSc1nc(NC(=O)CC2CCC(C)(C)CC2)n[n-]1 ZINC000337451179 214089667 /nfs/dbraw/zinc/08/96/67/214089667.db2.gz NSPZIHCKYKHYOK-UHFFFAOYSA-N -1 3 282.413 3.072 20 0 CGADHM COc1ccc([O-])c(C(=O)Nc2ncccc2C(C)C)c1 ZINC000337608267 214179007 /nfs/dbraw/zinc/17/90/07/214179007.db2.gz SULRBWMJTMMKBR-UHFFFAOYSA-N -1 3 286.331 3.172 20 0 CGADHM CC(C)(C)c1ccc(NC(=O)[C@@H]2CCC[C@@H](O)C2)c([O-])c1 ZINC000337654815 214199715 /nfs/dbraw/zinc/19/97/15/214199715.db2.gz MPWDJUKAGCKKAD-DGCLKSJQSA-N -1 3 291.391 3.179 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])[C@H]1C[C@H]1C1CCCC1 ZINC000651586429 398256379 /nfs/dbraw/zinc/25/63/79/398256379.db2.gz ABOQUDCWGZSAFL-RYUDHWBXSA-N -1 3 263.312 3.296 20 0 CGADHM CC(C)(C)c1ccc(NC(=O)COCC2CC2)c([O-])c1 ZINC000337674394 214210226 /nfs/dbraw/zinc/21/02/26/214210226.db2.gz ZDRBENGMLCHMLC-UHFFFAOYSA-N -1 3 277.364 3.055 20 0 CGADHM Cc1cccc([O-])c1NC(=O)COC[C@H](C)c1ccccc1 ZINC000651637875 398260256 /nfs/dbraw/zinc/26/02/56/398260256.db2.gz CCJBAMZWCWYVGL-AWEZNQCLSA-N -1 3 299.370 3.459 20 0 CGADHM CC[C@@H](C)[C@@H]1CCCCN1C(=O)c1cc(OC)ccc1[O-] ZINC000436526089 529406747 /nfs/dbraw/zinc/40/67/47/529406747.db2.gz CLEWNULQVGGGMF-DOMZBBRYSA-N -1 3 291.391 3.442 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)C1CCC2(CC2)CC1 ZINC000622122185 349632387 /nfs/dbraw/zinc/63/23/87/349632387.db2.gz BKVCNBZBZTYCFT-UHFFFAOYSA-N -1 3 275.396 3.172 20 0 CGADHM O=C(N[C@@]12C[C@@H]1CCC2)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622135538 349634429 /nfs/dbraw/zinc/63/44/29/349634429.db2.gz IGDQLSVMGAJUES-ZANVPECISA-N -1 3 285.265 3.083 20 0 CGADHM CCc1ccc(C(=O)Nc2ccc(OC)c(F)c2)c([O-])c1 ZINC000622311888 349671152 /nfs/dbraw/zinc/67/11/52/349671152.db2.gz NKKXZFDXXHLGRZ-UHFFFAOYSA-N -1 3 289.306 3.355 20 0 CGADHM CCc1ccc(C(=O)N[C@@H](C)c2ccc(OC)cc2)c([O-])c1 ZINC000622297564 349669770 /nfs/dbraw/zinc/66/97/70/349669770.db2.gz CKYOIDJFLHQROB-LBPRGKRZSA-N -1 3 299.370 3.454 20 0 CGADHM CN(C(=O)c1cc([O-])cc(C(F)(F)F)c1)c1cccnc1 ZINC000622368001 349674805 /nfs/dbraw/zinc/67/48/05/349674805.db2.gz FGTYRNZAIMEWQS-UHFFFAOYSA-N -1 3 296.248 3.083 20 0 CGADHM CCc1cccc(C(=O)NCCCNc2ccccc2)c1[O-] ZINC000622363721 349674861 /nfs/dbraw/zinc/67/48/61/349674861.db2.gz YDJIZKVWMIYSRC-UHFFFAOYSA-N -1 3 298.386 3.187 20 0 CGADHM CCc1ccc(C(=O)N[C@@H](C)C2CCCC2)c([O-])c1 ZINC000622372255 349675824 /nfs/dbraw/zinc/67/58/24/349675824.db2.gz GTPXEVIJSMLRKX-NSHDSACASA-N -1 3 261.365 3.263 20 0 CGADHM CCOC1(CNC(=O)c2cc(CC)ccc2[O-])CCCC1 ZINC000622619228 349689608 /nfs/dbraw/zinc/68/96/08/349689608.db2.gz IEJUIOPACDRZCD-UHFFFAOYSA-N -1 3 291.391 3.034 20 0 CGADHM Cc1cc(C)c(CNC(=O)c2ccc(C(C)C)cc2[O-])cn1 ZINC000622667935 349692853 /nfs/dbraw/zinc/69/28/53/349692853.db2.gz ZIIJKLSAWLYVGQ-UHFFFAOYSA-N -1 3 298.386 3.457 20 0 CGADHM CCc1cc(C(=O)N[C@@H](C(C)C)C(F)(F)F)ccc1[O-] ZINC000413990448 529518297 /nfs/dbraw/zinc/51/82/97/529518297.db2.gz SMXFLFVLSFIWKG-LBPRGKRZSA-N -1 3 289.297 3.271 20 0 CGADHM CCc1ccc(-c2nc(-c3ccco3)no2)c([O-])c1 ZINC000436512285 529575743 /nfs/dbraw/zinc/57/57/43/529575743.db2.gz JGIGCKCYQVOBTA-UHFFFAOYSA-N -1 3 256.261 3.265 20 0 CGADHM CCc1ccc(-c2nc(Cc3ccc(C)nc3)no2)c([O-])c1 ZINC000436847505 529578089 /nfs/dbraw/zinc/57/80/89/529578089.db2.gz KOZBMNOKIZMQPZ-UHFFFAOYSA-N -1 3 295.342 3.299 20 0 CGADHM O=C(CCSCc1ccccc1)Nc1ncccc1[O-] ZINC000350867069 219067320 /nfs/dbraw/zinc/06/73/20/219067320.db2.gz SCGYFVWHNMSXDS-UHFFFAOYSA-N -1 3 288.372 3.049 20 0 CGADHM CCc1ccc(C(=O)N[C@@H](CC)c2nccs2)c([O-])c1 ZINC000191729205 529606718 /nfs/dbraw/zinc/60/67/18/529606718.db2.gz SQVWUWABKWGBGW-LBPRGKRZSA-N -1 3 290.388 3.292 20 0 CGADHM CCc1ccc(C(=O)N[C@H]2CCCC(F)(F)C2)c([O-])c1 ZINC000436836561 529608348 /nfs/dbraw/zinc/60/83/48/529608348.db2.gz ZPBWQXJNIOGGNR-NSHDSACASA-N -1 3 283.318 3.262 20 0 CGADHM CCc1ccc(C(=O)Nc2cccc3c[nH]nc32)c([O-])c1 ZINC000436801528 529611158 /nfs/dbraw/zinc/61/11/58/529611158.db2.gz CHVVUGGPPGUPMQ-UHFFFAOYSA-N -1 3 281.315 3.083 20 0 CGADHM CCc1ccc(C(=O)N2CCC[C@H](C)[C@@H]2C)c([O-])c1 ZINC000191773306 529597045 /nfs/dbraw/zinc/59/70/45/529597045.db2.gz YZGQJLHBONMZCX-RYUDHWBXSA-N -1 3 261.365 3.215 20 0 CGADHM CCc1ccc(C(=O)N2CC[C@@H](C)[C@@H]2CC)c([O-])c1 ZINC000436840718 529599831 /nfs/dbraw/zinc/59/98/31/529599831.db2.gz SXDWCOBRLXBFAO-RISCZKNCSA-N -1 3 261.365 3.215 20 0 CGADHM CC[C@H](C)C(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000442944054 529637452 /nfs/dbraw/zinc/63/74/52/529637452.db2.gz NJFXXVZAXYZNSG-ZETCQYMHSA-N -1 3 277.242 3.275 20 0 CGADHM CC[C@@H](NC(=O)c1ccc(C)c(C)c1[O-])c1ccncc1 ZINC000436562174 529668534 /nfs/dbraw/zinc/66/85/34/529668534.db2.gz LQLZGAOSUYJGTH-OAHLLOKOSA-N -1 3 284.359 3.285 20 0 CGADHM CCc1cnccc1-c1noc(-c2ccccc2[O-])n1 ZINC000165311220 529668652 /nfs/dbraw/zinc/66/86/52/529668652.db2.gz ROTULMWNCFRRBK-UHFFFAOYSA-N -1 3 267.288 3.067 20 0 CGADHM CCc1cnccc1[C@H](C)NC(=O)c1ccc(C)c(C)c1[O-] ZINC000436791269 529680879 /nfs/dbraw/zinc/68/08/79/529680879.db2.gz IZEDRBDNXIEGNV-ZDUSSCGKSA-N -1 3 298.386 3.457 20 0 CGADHM CCC[C@H](NC(=O)c1ccc(C)cc1[O-])c1ccccn1 ZINC000591673343 346933070 /nfs/dbraw/zinc/93/30/70/346933070.db2.gz SDWONOBUYZEAIF-HNNXBMFYSA-N -1 3 284.359 3.367 20 0 CGADHM CN(CC1CCC1)C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000186292124 529863186 /nfs/dbraw/zinc/86/31/86/529863186.db2.gz ACFJEKHDDKSLAT-UHFFFAOYSA-N -1 3 273.376 3.143 20 0 CGADHM C[C@H]1CCCCCN1Cc1c(F)ccc([O-])c1F ZINC000351590057 219135789 /nfs/dbraw/zinc/13/57/89/219135789.db2.gz PYRXMAPHJPHWGO-JTQLQIEISA-N -1 3 255.308 3.435 20 0 CGADHM O=C(Nc1ccncc1)c1c[n-]nc1-c1ccc(Cl)cc1 ZINC000010126242 344875810 /nfs/dbraw/zinc/87/58/10/344875810.db2.gz DZYYFBSPAXOJIH-UHFFFAOYSA-N -1 3 298.733 3.377 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2nc(-c3ccc[nH]3)cs2)c1 ZINC000029351257 344917170 /nfs/dbraw/zinc/91/71/70/344917170.db2.gz BDHBYHSIOJJEQY-UHFFFAOYSA-N -1 3 299.355 3.405 20 0 CGADHM CC(C)CN(Cc1nc(=O)c2sccc2[n-]1)C1CC1 ZINC000036753895 344944526 /nfs/dbraw/zinc/94/45/26/344944526.db2.gz YVNNWDBAKMAYFG-UHFFFAOYSA-N -1 3 277.393 3.017 20 0 CGADHM O=C([O-])[C@@H]1CC12CCN(Cc1ccc(Cl)cc1)CC2 ZINC000049876344 345075833 /nfs/dbraw/zinc/07/58/33/345075833.db2.gz QURMFGBGOCRFFB-ZDUSSCGKSA-N -1 3 279.767 3.027 20 0 CGADHM Cc1ccc(C(=O)N(C)Cc2ccccc2F)c([O-])c1C ZINC000048369746 345065667 /nfs/dbraw/zinc/06/56/67/345065667.db2.gz CFLZMCIVIIMGLC-UHFFFAOYSA-N -1 3 287.334 3.420 20 0 CGADHM Cc1ccc(NC(=O)c2cc3ccccc3n2C)c([O-])c1 ZINC000055432075 345148270 /nfs/dbraw/zinc/14/82/70/345148270.db2.gz RVRFBCIGPJKUGF-UHFFFAOYSA-N -1 3 280.327 3.445 20 0 CGADHM Cc1cc(CN2CCCc3ccccc3C2)oc1C(=O)[O-] ZINC000062944872 345242559 /nfs/dbraw/zinc/24/25/59/345242559.db2.gz RSFDGYCHTZQCCX-UHFFFAOYSA-N -1 3 285.343 3.235 20 0 CGADHM CCc1noc(C)c1C(=O)[N-]c1c(F)cccc1F ZINC000060742587 345222260 /nfs/dbraw/zinc/22/22/60/345222260.db2.gz FGGLXPCITZJZEY-UHFFFAOYSA-N -1 3 266.247 3.076 20 0 CGADHM CCCSCC(=O)Nc1cc(Cl)ccc1[O-] ZINC000067145668 345315711 /nfs/dbraw/zinc/31/57/11/345315711.db2.gz LCDZABOQYMETLM-UHFFFAOYSA-N -1 3 259.758 3.127 20 0 CGADHM O=C(Nc1ccccc1O)c1cc2c(cc1[O-])CCCC2 ZINC000065617263 345275635 /nfs/dbraw/zinc/27/56/35/345275635.db2.gz GHSGGHNKKVONRX-UHFFFAOYSA-N -1 3 283.327 3.229 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CC3C[C@@H]4CC2C[C@H](C3)C4)c1 ZINC000065814412 345278904 /nfs/dbraw/zinc/27/89/04/345278904.db2.gz BODVOHXQSSKCMV-DGKWVBSXSA-N -1 3 285.387 3.351 20 0 CGADHM CN(C)c1cccc(C(=O)Nc2cc(Cl)ccc2[O-])c1 ZINC000069692996 345383502 /nfs/dbraw/zinc/38/35/02/345383502.db2.gz WDSLKVXULYCENX-UHFFFAOYSA-N -1 3 290.750 3.364 20 0 CGADHM CC[C@@H]1C[C@@H](C)CN1Cc1nc(=O)c2sccc2[n-]1 ZINC000072698148 345416006 /nfs/dbraw/zinc/41/60/06/345416006.db2.gz BLPAERDZIWEIFS-NXEZZACHSA-N -1 3 277.393 3.017 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])c1cnc2ccccc2n1 ZINC000070887668 345397828 /nfs/dbraw/zinc/39/78/28/345397828.db2.gz DQXLEQAIXQXEHB-UHFFFAOYSA-N -1 3 299.717 3.241 20 0 CGADHM C[C@@H]1CC[C@H](C)N(Cc2ccc(C(=O)[O-])cc2F)C1 ZINC000088712476 345763880 /nfs/dbraw/zinc/76/38/80/345763880.db2.gz KIXHXNWMRQWJOY-MNOVXSKESA-N -1 3 265.328 3.144 20 0 CGADHM O=C(Nc1cccc(-c2ncco2)c1)c1c([O-])cccc1O ZINC000092126111 345831453 /nfs/dbraw/zinc/83/14/53/345831453.db2.gz OHIRNYURYJDOGD-UHFFFAOYSA-N -1 3 296.282 3.005 20 0 CGADHM C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)c1c([O-])cccc1O ZINC000092124259 345831662 /nfs/dbraw/zinc/83/16/62/345831662.db2.gz VPPVIDVSSGWRBP-OCCSQVGLSA-N -1 3 297.354 3.116 20 0 CGADHM CCc1cccc(C(=O)N(C)c2ccccc2)c1[O-] ZINC000093900213 345891933 /nfs/dbraw/zinc/89/19/33/345891933.db2.gz BXDRJNHNRJXXRY-UHFFFAOYSA-N -1 3 255.317 3.231 20 0 CGADHM C[C@H]1CCCCN1C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000093901580 345892116 /nfs/dbraw/zinc/89/21/16/345892116.db2.gz JZPQRLRVSQGRIL-NSHDSACASA-N -1 3 289.375 3.120 20 0 CGADHM COc1ccc(C(=O)N2CCC[C@H]2CC(C)C)c([O-])c1 ZINC000094075729 345894777 /nfs/dbraw/zinc/89/47/77/345894777.db2.gz QYGKNRIZFWFUEO-LBPRGKRZSA-N -1 3 277.364 3.052 20 0 CGADHM C[C@H](C(=O)NCc1ccc([O-])c(F)c1)c1cccc(F)c1 ZINC000174206911 232296163 /nfs/dbraw/zinc/29/61/63/232296163.db2.gz SBVKYMHEULUPKW-JTQLQIEISA-N -1 3 291.297 3.090 20 0 CGADHM Cc1oc(C(=O)[O-])cc1CN(CCC(C)C)C1CC1 ZINC000111063055 345947665 /nfs/dbraw/zinc/94/76/65/345947665.db2.gz QVJLESABRNBKPE-UHFFFAOYSA-N -1 3 265.353 3.297 20 0 CGADHM O=C(Nc1cccc([O-])c1F)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000128284805 346039570 /nfs/dbraw/zinc/03/95/70/346039570.db2.gz KQKWSTSSOLUXDH-NEPJUHHUSA-N -1 3 289.281 3.413 20 0 CGADHM CN(CCc1cccs1)Cc1c(F)ccc([O-])c1F ZINC000351663165 219167828 /nfs/dbraw/zinc/16/78/28/219167828.db2.gz BVDUFSQQUSHRGG-UHFFFAOYSA-N -1 3 283.343 3.406 20 0 CGADHM COc1cc(C(=O)Nc2ccc(C)cc2[O-])ccc1F ZINC000127540246 187313949 /nfs/dbraw/zinc/31/39/49/187313949.db2.gz SBLDFFQAXBNOEF-UHFFFAOYSA-N -1 3 275.279 3.101 20 0 CGADHM Cc1nc([N-]C(=O)c2c(F)ccc(F)c2F)sc1C ZINC000131382871 346065193 /nfs/dbraw/zinc/06/51/93/346065193.db2.gz YIZXOMWHPHOMMG-UHFFFAOYSA-N -1 3 286.278 3.430 20 0 CGADHM O=C(NCc1ccc([O-])c(F)c1)Nc1ccc(F)c(F)c1 ZINC000151356241 346136943 /nfs/dbraw/zinc/13/69/43/346136943.db2.gz MHTSKLLSTFTFGQ-UHFFFAOYSA-N -1 3 296.248 3.131 20 0 CGADHM O=S(=O)([N-]c1ccsc1Cl)c1cccc(F)c1 ZINC000189742978 346263219 /nfs/dbraw/zinc/26/32/19/346263219.db2.gz ZAZJRAVFSCJIQM-UHFFFAOYSA-N -1 3 291.756 3.341 20 0 CGADHM O=C(Nc1cccc([O-])c1F)c1cc2sccc2[nH]1 ZINC000192196065 346267733 /nfs/dbraw/zinc/26/77/33/346267733.db2.gz VQSZHSWYKOYKQQ-UHFFFAOYSA-N -1 3 276.292 3.326 20 0 CGADHM O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1ccc(Cl)cc1F ZINC000300242167 346436884 /nfs/dbraw/zinc/43/68/84/346436884.db2.gz XOGIRSHTNYRAIJ-BHYNMZESSA-N -1 3 297.757 3.164 20 0 CGADHM Cc1nc(CC2CC2)oc1-c1nc(-c2ccc([O-])cc2)no1 ZINC000350584524 346523610 /nfs/dbraw/zinc/52/36/10/346523610.db2.gz SVFJFRCNNKKHJN-UHFFFAOYSA-N -1 3 297.314 3.358 20 0 CGADHM CCc1cc(=O)[n-]c(CN[C@H](C)c2ccc(C3CC3)cc2)n1 ZINC000579936355 346673033 /nfs/dbraw/zinc/67/30/33/346673033.db2.gz FYEHOHWTZOTPKZ-GFCCVEGCSA-N -1 3 297.402 3.473 20 0 CGADHM CCCC[C@@H](C(=O)[O-])N1CCC[C@H]1c1ccco1 ZINC000584785359 346714526 /nfs/dbraw/zinc/71/45/26/346714526.db2.gz HYNCDVBIKCWCNP-RYUDHWBXSA-N -1 3 251.326 3.060 20 0 CGADHM CCC[C@@H](C)C(=O)Nc1cc(Cl)cc(C(=O)OC)c1[O-] ZINC000588096783 346749523 /nfs/dbraw/zinc/74/95/23/346749523.db2.gz OEEZBTQAFFODAI-MRVPVSSYSA-N -1 3 299.754 3.207 20 0 CGADHM [O-]c1cccc(CN[C@@H](CO)CC2CCCC2)c1Cl ZINC000339334402 215101104 /nfs/dbraw/zinc/10/11/04/215101104.db2.gz KSCRVNJAAOLTNI-CYBMUJFWSA-N -1 3 283.799 3.076 20 0 CGADHM Cc1cc(C)c(C[S@](=O)c2ccc([O-])cc2)c(C)n1 ZINC000600903377 347844401 /nfs/dbraw/zinc/84/44/01/347844401.db2.gz HXKXOCHPJZGFRX-IBGZPJMESA-N -1 3 275.373 3.020 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)SCC(=O)c2ccccc2)n1 ZINC000601084971 347866943 /nfs/dbraw/zinc/86/69/43/347866943.db2.gz JPZQYRHLLPSKMX-NSHDSACASA-N -1 3 288.372 3.168 20 0 CGADHM CSc1ccc([O-])c(C(=O)N2[C@H](C)CC[C@H]2C)c1 ZINC000612311878 348509354 /nfs/dbraw/zinc/50/93/54/348509354.db2.gz RSSRCGYGOQZHBM-NXEZZACHSA-N -1 3 265.378 3.127 20 0 CGADHM O=C(NCc1ccc([O-])c(F)c1)C1[C@H]2CCCCCC[C@H]12 ZINC000612632573 348536551 /nfs/dbraw/zinc/53/65/51/348536551.db2.gz PTLRDLFJPIWPQX-STQMWFEESA-N -1 3 291.366 3.364 20 0 CGADHM CO[C@@H]1CC[C@@H](C(=O)Nc2cc(Cl)cc(C)c2[O-])C1 ZINC000613035023 348560988 /nfs/dbraw/zinc/56/09/88/348560988.db2.gz IVDBPFOZOOCAIF-MWLCHTKSSA-N -1 3 283.755 3.108 20 0 CGADHM CCC[C@H]1CCCCN1C(=O)c1ccc2[nH][n-]c(=O)c2c1 ZINC000613486307 348609490 /nfs/dbraw/zinc/60/94/90/348609490.db2.gz DKTMDXKYDGXAOP-LBPRGKRZSA-N -1 3 287.363 3.063 20 0 CGADHM CCc1nocc1C(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000613576479 348620094 /nfs/dbraw/zinc/62/00/94/348620094.db2.gz KNEUSHFIDCTBAO-JTQLQIEISA-N -1 3 286.331 3.097 20 0 CGADHM CC(C)(C)c1ccc(NC(=O)c2ccc(CO)cc2)c([O-])c1 ZINC000614489830 348680163 /nfs/dbraw/zinc/68/01/63/348680163.db2.gz XHMCOSNXESBRTG-UHFFFAOYSA-N -1 3 299.370 3.434 20 0 CGADHM CSc1ccc([O-])c(C(=O)N2CCC[C@@H](C3CC3)C2)c1 ZINC000614930110 348700608 /nfs/dbraw/zinc/70/06/08/348700608.db2.gz XDGLYNLGEGBCJC-GFCCVEGCSA-N -1 3 291.416 3.376 20 0 CGADHM O=C(NCc1ccc([O-])c2ncccc12)[C@@H]1CC12CCCC2 ZINC000616025842 348782365 /nfs/dbraw/zinc/78/23/65/348782365.db2.gz WVFJRJSKRPRCMY-AWEZNQCLSA-N -1 3 296.370 3.137 20 0 CGADHM C[C@@H]1CCC[C@H](C(=O)NCc2ccc([O-])c3ncccc23)C1 ZINC000616024783 348782570 /nfs/dbraw/zinc/78/25/70/348782570.db2.gz FTMHVVLWWSJWGE-OLZOCXBDSA-N -1 3 298.386 3.383 20 0 CGADHM CCc1ccc(C(=O)N2[C@@H](C)CCC2(C)C)c([O-])c1 ZINC000616165133 348792680 /nfs/dbraw/zinc/79/26/80/348792680.db2.gz NFBRBYCRTCXPKO-NSHDSACASA-N -1 3 261.365 3.358 20 0 CGADHM CC(C)[C@@H]1C[C@H]1C(=O)Nc1ccc([O-])cc1Cl ZINC000616940959 348885085 /nfs/dbraw/zinc/88/50/85/348885085.db2.gz LJCMHJNTOUCGNB-VHSXEESVSA-N -1 3 253.729 3.276 20 0 CGADHM C[C@@H]1CC[C@@H](C(=O)Nc2ccc([O-])cc2Cl)C1 ZINC000616941108 348885157 /nfs/dbraw/zinc/88/51/57/348885157.db2.gz RKLICUOHKSKQOV-RKDXNWHRSA-N -1 3 253.729 3.420 20 0 CGADHM O=C(CCCC(=O)C1CC1)Nc1ccc([O-])cc1Cl ZINC000616943240 348885975 /nfs/dbraw/zinc/88/59/75/348885975.db2.gz SZIGMNKZWBKDNP-UHFFFAOYSA-N -1 3 281.739 3.134 20 0 CGADHM CC[C@@H](C)CCNC(=O)c1cc([O-])ccc1Cl ZINC000617639410 348993015 /nfs/dbraw/zinc/99/30/15/348993015.db2.gz FLSRVIBKOANKFC-SECBINFHSA-N -1 3 255.745 3.212 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)[C@@H](C)c2ccccc2)o1 ZINC000358598104 233163681 /nfs/dbraw/zinc/16/36/81/233163681.db2.gz USPPWASQXCPQHS-OLZOCXBDSA-N -1 3 293.388 3.059 20 0 CGADHM Cn1cnc2cc(C=Cc3cc(=O)[n-]c(C4CC4)n3)ccc21 ZINC000352021103 219291852 /nfs/dbraw/zinc/29/18/52/219291852.db2.gz MYEXDZHWNNIOJE-KXFIGUGUSA-N -1 3 292.342 3.117 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2cnc(C3CCC3)s2)n1 ZINC000352034475 219296269 /nfs/dbraw/zinc/29/62/69/219296269.db2.gz CDMCKXYLCCYBMU-AATRIKPKSA-N -1 3 273.361 3.385 20 0 CGADHM C=C/C(C)=C/CC(=O)Nc1ccc(C(=O)OCC)cc1[O-] ZINC000619582855 349260217 /nfs/dbraw/zinc/26/02/17/349260217.db2.gz VKKKOJVTHSTROW-IZZDOVSWSA-N -1 3 289.331 3.030 20 0 CGADHM CC[C@@H]1CCC[C@H](C)N1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000620576294 349388576 /nfs/dbraw/zinc/38/85/76/349388576.db2.gz ZPVVNFACQHQPFV-QWHCGFSZSA-N -1 3 298.386 3.321 20 0 CGADHM CC(C)c1ccc(C(=O)NC[C@H]2CCOC2(C)C)c([O-])c1 ZINC000620518297 349379326 /nfs/dbraw/zinc/37/93/26/349379326.db2.gz UDRJGZKUJHFRGH-CYBMUJFWSA-N -1 3 291.391 3.061 20 0 CGADHM O=C(c1ccc(O)cc1[O-])N1CCCC[C@H]1CC1CCC1 ZINC000620567531 349384629 /nfs/dbraw/zinc/38/46/29/349384629.db2.gz FITVXZQWRRICHK-ZDUSSCGKSA-N -1 3 289.375 3.283 20 0 CGADHM [O-]c1ccc(F)c(CNCCCOc2ccccc2)c1F ZINC000352050823 219303344 /nfs/dbraw/zinc/30/33/44/219303344.db2.gz VNCYJDIZDNEADP-UHFFFAOYSA-N -1 3 293.313 3.229 20 0 CGADHM CC1(C)CC(NC(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000620739984 349417145 /nfs/dbraw/zinc/41/71/45/349417145.db2.gz WLDNFWHWGFBZNG-UHFFFAOYSA-N -1 3 279.355 3.159 20 0 CGADHM Cc1noc(C)c1N(C)Cc1cc([O-])ccc1Cl ZINC000625258395 350148791 /nfs/dbraw/zinc/14/87/91/350148791.db2.gz HLVIKDYYVZOHEK-UHFFFAOYSA-N -1 3 266.728 3.287 20 0 CGADHM C[C@@H]1N(Cc2cc([O-])ccc2Cl)CCOC1(C)C ZINC000625222025 350143618 /nfs/dbraw/zinc/14/36/18/350143618.db2.gz NEUILOPRKQBYHY-JTQLQIEISA-N -1 3 269.772 3.045 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CC[C@H](c2cccc(F)c2)C1 ZINC000625289508 350153142 /nfs/dbraw/zinc/15/31/42/350153142.db2.gz FKXXRZBKCBRBMJ-AWEZNQCLSA-N -1 3 299.345 3.469 20 0 CGADHM [O-]c1ccc(Cl)c(CN2C[C@@H](CO)c3ccccc32)c1 ZINC000625448163 350173562 /nfs/dbraw/zinc/17/35/62/350173562.db2.gz PQEAUBFIOGWBLO-LBPRGKRZSA-N -1 3 289.762 3.142 20 0 CGADHM COC[C@H]1CCCCN1Cc1cc([O-])ccc1Cl ZINC000625463735 350175242 /nfs/dbraw/zinc/17/52/42/350175242.db2.gz LAFNEXAWTXNIKQ-GFCCVEGCSA-N -1 3 269.772 3.047 20 0 CGADHM O=C([O-])[C@@H]1CCC[C@@H]1NCc1cc(Cl)ccc1Cl ZINC000625969278 350237022 /nfs/dbraw/zinc/23/70/22/350237022.db2.gz XCQSSIGVNWUIPU-PWSUYJOCSA-N -1 3 288.174 3.336 20 0 CGADHM COc1cccc2c1CC[C@@H]2NC(=O)c1c(C)cccc1[O-] ZINC000626099740 350259127 /nfs/dbraw/zinc/25/91/27/350259127.db2.gz PORODTQWHVOIIK-AWEZNQCLSA-N -1 3 297.354 3.127 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CC[C@]2(CC[C@H](C)C2)C1 ZINC000626415363 350304411 /nfs/dbraw/zinc/30/44/11/350304411.db2.gz XMCPLSBODUAYEW-SJCJKPOMSA-N -1 3 273.376 3.353 20 0 CGADHM CCC[C@@H]1CCCCN1C(=O)c1c(C)cccc1[O-] ZINC000626447496 350307429 /nfs/dbraw/zinc/30/74/29/350307429.db2.gz ORZYRHRQERPRJL-CYBMUJFWSA-N -1 3 261.365 3.495 20 0 CGADHM CC(=O)c1c(C)[nH]c(C(=O)Nc2cc(C)cc([O-])c2)c1C ZINC000629633264 350725003 /nfs/dbraw/zinc/72/50/03/350725003.db2.gz HUEOPTWGIWANHQ-UHFFFAOYSA-N -1 3 286.331 3.100 20 0 CGADHM Cc1ccc(C(=O)N2CC[C@H](c3ccc(O)cc3)C2)c([O-])c1 ZINC000629666594 350733241 /nfs/dbraw/zinc/73/32/41/350733241.db2.gz UECJIADWOHMQDW-AWEZNQCLSA-N -1 3 297.354 3.036 20 0 CGADHM C/C=C\C[C@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC000629875583 350782849 /nfs/dbraw/zinc/78/28/49/350782849.db2.gz CSEGIQPKIZWXPD-ZRMMWKCHSA-N -1 3 259.349 3.211 20 0 CGADHM O=C([N-]c1ccccc1SC(F)F)c1cocn1 ZINC000729305507 571895223 /nfs/dbraw/zinc/89/52/23/571895223.db2.gz MFMUTHIONSAGNO-UHFFFAOYSA-N -1 3 270.260 3.242 20 0 CGADHM CC(C)c1cnc(CN[C@@H]2CCCCC[C@@H]2C(=O)[O-])s1 ZINC000630466206 350844428 /nfs/dbraw/zinc/84/44/28/350844428.db2.gz ZYCRHDFCXVWJLT-NWDGAFQWSA-N -1 3 296.436 3.390 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)[C@]23CCC[C@H]2OCC3)c1[O-] ZINC000632147477 351172803 /nfs/dbraw/zinc/17/28/03/351172803.db2.gz QRMKRJRRCDQAGL-DOMZBBRYSA-N -1 3 295.766 3.252 20 0 CGADHM C[C@@H]1C[C@H](C(=O)N2CC[C@H](C)c3cccc([O-])c32)[C@@H](C)O1 ZINC000632506685 351202132 /nfs/dbraw/zinc/20/21/32/351202132.db2.gz GYXRQWAJTOEMBO-SFTQSGBHSA-N -1 3 289.375 3.046 20 0 CGADHM CCc1ccc(C(=O)N2CC(c3ccccc3)C2)c([O-])c1 ZINC000633810564 351381299 /nfs/dbraw/zinc/38/12/99/351381299.db2.gz GLEYAKRJYOWSQS-UHFFFAOYSA-N -1 3 281.355 3.194 20 0 CGADHM Cc1c2occ([O-])c2ccc1OCc1ncc(C2CC2)o1 ZINC000634560810 351514159 /nfs/dbraw/zinc/51/41/59/351514159.db2.gz YXUGZMUMAGOGET-UHFFFAOYSA-N -1 3 285.299 3.015 20 0 CGADHM CCc1[n-]n(Cc2ccc(F)c(F)c2)c(=O)c1C(C)C ZINC000634590741 351527993 /nfs/dbraw/zinc/52/79/93/351527993.db2.gz IOPVQOZINCFXBI-CQSZACIVSA-N -1 3 280.318 3.345 20 0 CGADHM COc1ccc2cnn(C3CCCCCC3)c([O-])c-2c1=O ZINC000634602980 351537324 /nfs/dbraw/zinc/53/73/24/351537324.db2.gz LHDJMGBFBBLCBP-UHFFFAOYSA-N -1 3 288.347 3.006 20 0 CGADHM COc1ccc2cnn(C3CCCCCC3)c(=O)c2c1[O-] ZINC000634602980 351537329 /nfs/dbraw/zinc/53/73/29/351537329.db2.gz LHDJMGBFBBLCBP-UHFFFAOYSA-N -1 3 288.347 3.006 20 0 CGADHM O=S(=O)(CCC1CCCCC1)[N-]c1ccccc1O ZINC000634785013 351587659 /nfs/dbraw/zinc/58/76/59/351587659.db2.gz PNNSQSTVBGYHQB-UHFFFAOYSA-N -1 3 283.393 3.104 20 0 CGADHM CCc1cc(C(=O)N[C@@H](C)CCc2ccco2)ccc1[O-] ZINC000291497715 198037561 /nfs/dbraw/zinc/03/75/61/198037561.db2.gz UTLMXBDBLZMARA-LBPRGKRZSA-N -1 3 287.359 3.299 20 0 CGADHM COc1ccc(NC(=O)C2CCC=CCC2)c([O-])c1 ZINC000635839191 351696268 /nfs/dbraw/zinc/69/62/68/351696268.db2.gz ZCCYEJOPGGIZKV-UHFFFAOYSA-N -1 3 261.321 3.086 20 0 CGADHM O=C([N-]c1cscc1Cl)c1snnc1C1CC1 ZINC000636438213 351761683 /nfs/dbraw/zinc/76/16/83/351761683.db2.gz RFNNWSXIBJURBP-UHFFFAOYSA-N -1 3 285.781 3.383 20 0 CGADHM C[C@H](CC(=O)[N-]OC/C=C/Cl)Cc1cccc(F)c1 ZINC000291728838 198072549 /nfs/dbraw/zinc/07/25/49/198072549.db2.gz FLKSFWUIFKXGCT-GQOHGMTASA-N -1 3 285.746 3.195 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)Nc1cc(NC(C)=O)ccc1C ZINC000291777844 198088949 /nfs/dbraw/zinc/08/89/49/198088949.db2.gz NMQLRZZGEGVFSE-JTQLQIEISA-N -1 3 293.367 3.053 20 0 CGADHM O=C([N-]OC/C=C/Cl)C1(Cc2ccccc2)CCC1 ZINC000291875803 198092814 /nfs/dbraw/zinc/09/28/14/198092814.db2.gz PWFDHDAQHSHWSJ-BJMVGYQFSA-N -1 3 279.767 3.200 20 0 CGADHM CS[C@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000124047808 187119874 /nfs/dbraw/zinc/11/98/74/187119874.db2.gz BBLDNJHQKUCWOB-SSDOTTSWSA-N -1 3 293.310 3.491 20 0 CGADHM [O-]c1ccc(F)c(CN2CCCC[C@H]2c2ncc[nH]2)c1F ZINC000336486615 213358563 /nfs/dbraw/zinc/35/85/63/213358563.db2.gz CDLNNEIHVQJKAF-LBPRGKRZSA-N -1 3 293.317 3.121 20 0 CGADHM Cc1cc(C(=O)N(C)Cc2ccccc2N(C)C)ccc1[O-] ZINC000292339937 198251515 /nfs/dbraw/zinc/25/15/15/198251515.db2.gz XPPYVGQZYGOTMJ-UHFFFAOYSA-N -1 3 298.386 3.039 20 0 CGADHM Cc1nc(CC(=O)Nc2ccc(Cl)cc2[O-])c(C)s1 ZINC000336438713 213302391 /nfs/dbraw/zinc/30/23/91/213302391.db2.gz LFABZSDUGRLABZ-UHFFFAOYSA-N -1 3 296.779 3.300 20 0 CGADHM CCCOc1cccc(NC(=O)[N-]OCC(C)C)c1 ZINC000158792906 188394682 /nfs/dbraw/zinc/39/46/82/188394682.db2.gz JWEQXIVKRMXHLB-UHFFFAOYSA-N -1 3 266.341 3.185 20 0 CGADHM COc1cc(C(=O)N(C)[C@H]2CCc3ccccc32)ccc1[O-] ZINC000336388832 213245057 /nfs/dbraw/zinc/24/50/57/213245057.db2.gz CJJCYTKFKPNTIW-HNNXBMFYSA-N -1 3 297.354 3.160 20 0 CGADHM CSc1nnc(NC(=O)c2ccc(C)c(C)c2Cl)[n-]1 ZINC000336333687 213180448 /nfs/dbraw/zinc/18/04/48/213180448.db2.gz ZZUGMINZUZQTAI-UHFFFAOYSA-N -1 3 296.783 3.049 20 0 CGADHM CSc1n[n-]c(NC(=O)c2ccc(C)c(C)c2Cl)n1 ZINC000336333687 213180449 /nfs/dbraw/zinc/18/04/49/213180449.db2.gz ZZUGMINZUZQTAI-UHFFFAOYSA-N -1 3 296.783 3.049 20 0 CGADHM CSc1nc(NC(=O)c2ccc(C)c(C)c2Cl)n[n-]1 ZINC000336333687 213180451 /nfs/dbraw/zinc/18/04/51/213180451.db2.gz ZZUGMINZUZQTAI-UHFFFAOYSA-N -1 3 296.783 3.049 20 0 CGADHM Cc1conc1[N-]C(=O)c1cc(Br)cs1 ZINC000123695930 138369112 /nfs/dbraw/zinc/36/91/12/138369112.db2.gz FPNXFYRLLSOCJD-UHFFFAOYSA-N -1 3 287.138 3.059 20 0 CGADHM Cc1cc([N-]C(=O)[C@@H](C)Nc2cc(C)ccc2C)on1 ZINC000123747384 138369812 /nfs/dbraw/zinc/36/98/12/138369812.db2.gz DIGMIXQMCGMQTM-GFCCVEGCSA-N -1 3 273.336 3.039 20 0 CGADHM COC(=O)c1scc(C)c1[N-]C(=O)c1ccc(Cl)o1 ZINC000128626014 138394656 /nfs/dbraw/zinc/39/46/56/138394656.db2.gz QZRQBVLXWHVUJB-UHFFFAOYSA-N -1 3 299.735 3.342 20 0 CGADHM COc1cc(-c2ccccc2)ccc1CNC(C)(C)C(=O)[O-] ZINC000340672133 215676921 /nfs/dbraw/zinc/67/69/21/215676921.db2.gz SMVZEQBAHGPBET-UHFFFAOYSA-N -1 3 299.370 3.315 20 0 CGADHM [O-]c1ccc(F)c(CN[C@H]2C[C@@]2(F)c2ccccc2)c1F ZINC000425356257 236235497 /nfs/dbraw/zinc/23/54/97/236235497.db2.gz QAYWTXSHLHMHBF-GOEBONIOSA-N -1 3 293.288 3.397 20 0 CGADHM CC(C)c1ccc([C@H](C)CC(=O)[N-]OCC(C)(C)O)cc1 ZINC000294592561 199100359 /nfs/dbraw/zinc/10/03/59/199100359.db2.gz XCSWYLUCRZNSHD-CYBMUJFWSA-N -1 3 293.407 3.122 20 0 CGADHM COc1ccc(CN[C@H](CC(=O)[O-])C(C)(C)C)c(Cl)c1 ZINC000426792995 236314485 /nfs/dbraw/zinc/31/44/85/236314485.db2.gz OQADTPCJVUKKNZ-CYBMUJFWSA-N -1 3 299.798 3.328 20 0 CGADHM C[C@H]1CN(C(=O)Cc2ccc([O-])c(F)c2)[C@H]1c1ccccc1 ZINC000336209249 213030570 /nfs/dbraw/zinc/03/05/70/213030570.db2.gz BRNQGMWKZUQLCZ-KPZWWZAWSA-N -1 3 299.345 3.293 20 0 CGADHM O=C(Cc1ccc([O-])cc1Cl)NC1CCC2(CC2)CC1 ZINC000434285210 236840348 /nfs/dbraw/zinc/84/03/48/236840348.db2.gz DRIKFOYKQSXLBB-UHFFFAOYSA-N -1 3 293.794 3.427 20 0 CGADHM Cc1ccc([O-])c(NC(=O)[C@@H]2[C@H](C)[C@H]2c2ccccc2)n1 ZINC000435918781 237005076 /nfs/dbraw/zinc/00/50/76/237005076.db2.gz UBZJCCZJCFHELY-BYCMXARLSA-N -1 3 282.343 3.084 20 0 CGADHM C[C@@H]1CC[C@@H]1NC(=O)CCc1ccc2ccccc2c1[O-] ZINC000451726339 240351119 /nfs/dbraw/zinc/35/11/19/240351119.db2.gz SGVKCQFEOFBSSI-WBMJQRKESA-N -1 3 283.371 3.393 20 0 CGADHM Cc1ccc(C(=O)Nc2cc3n[nH]cc3cc2C)c([O-])c1C ZINC000436560214 237128219 /nfs/dbraw/zinc/12/82/19/237128219.db2.gz CAPBDMPUGSUCKR-UHFFFAOYSA-N -1 3 295.342 3.446 20 0 CGADHM CN(C)[C@H](c1nc(-c2ccc([O-])cc2)no1)c1ccccc1 ZINC000436567716 237132469 /nfs/dbraw/zinc/13/24/69/237132469.db2.gz UHESPFREZBMGHI-HNNXBMFYSA-N -1 3 295.342 3.093 20 0 CGADHM Cc1nc(CNC(=O)c2ccc(C)c(C)c2[O-])sc1C ZINC000436576358 237134149 /nfs/dbraw/zinc/13/41/49/237134149.db2.gz QSZJZQWFPRXVSJ-UHFFFAOYSA-N -1 3 290.388 3.012 20 0 CGADHM Cc1ncsc1NC(=O)c1ccc(C)c(C)c1[O-] ZINC000436589416 237137431 /nfs/dbraw/zinc/13/74/31/237137431.db2.gz PJZWWMBKKFWJCB-UHFFFAOYSA-N -1 3 262.334 3.026 20 0 CGADHM Cc1ccc(C(=O)N[C@@H](C)CC(F)(F)F)c([O-])c1C ZINC000436803480 237183665 /nfs/dbraw/zinc/18/36/65/237183665.db2.gz KWHIPQTWHXYNLW-QMMMGPOBSA-N -1 3 275.270 3.080 20 0 CGADHM CN(C(=O)c1cc2c(cc1[O-])CCCC2)[C@@H]1CC1(C)C ZINC000436816374 237186708 /nfs/dbraw/zinc/18/67/08/237186708.db2.gz SCBVEBPCCMFLQW-OAHLLOKOSA-N -1 3 273.376 3.142 20 0 CGADHM Cc1ccc(C(=O)NCCC2C[C@@H](C)O[C@H](C)C2)c([O-])c1 ZINC000436703770 237161586 /nfs/dbraw/zinc/16/15/86/237161586.db2.gz MVPIZBAHXLCZAJ-CHWSQXEVSA-N -1 3 291.391 3.024 20 0 CGADHM Cc1ccccc1C[C@H](C)N(C)C(=O)c1ccccc1[O-] ZINC000436703514 237163447 /nfs/dbraw/zinc/16/34/47/237163447.db2.gz DXCTZKBQYPBWDT-AWEZNQCLSA-N -1 3 283.371 3.404 20 0 CGADHM O=C(N[C@@H](c1cccs1)C1CC1)c1ccccc1[O-] ZINC000436753977 237175830 /nfs/dbraw/zinc/17/58/30/237175830.db2.gz GLRYOUBNAGNWPF-CQSZACIVSA-N -1 3 273.357 3.335 20 0 CGADHM Cc1cc(C(=O)N[C@@H]2c3ccccc3C[C@H]2C)ccc1[O-] ZINC000436939660 237217693 /nfs/dbraw/zinc/21/76/93/237217693.db2.gz PNEOYZAOJXCDRE-PXAZEXFGSA-N -1 3 281.355 3.364 20 0 CGADHM Cc1cccc(C)c1[C@@H](C)NC(=O)c1ccc(O)cc1[O-] ZINC000436983092 237225294 /nfs/dbraw/zinc/22/52/94/237225294.db2.gz CCTPCLUTIQNHOL-GFCCVEGCSA-N -1 3 285.343 3.206 20 0 CGADHM Cc1ccc(OCCCNC(=O)c2ccc([O-])c(C)c2)cc1 ZINC000436898697 237205925 /nfs/dbraw/zinc/20/59/25/237205925.db2.gz ZGNPPRDUVKGGMG-UHFFFAOYSA-N -1 3 299.370 3.208 20 0 CGADHM CC(C)[C@@H]1N(C(=O)NCc2ccc([O-])c(F)c2)CC1(C)C ZINC000297244685 200125032 /nfs/dbraw/zinc/12/50/32/200125032.db2.gz NFZXNFPLFIVNHB-AWEZNQCLSA-N -1 3 294.370 3.107 20 0 CGADHM CC[C@H](C)CON=C([O-])Nc1ncc(Cl)cc1C ZINC000297282286 200133608 /nfs/dbraw/zinc/13/36/08/200133608.db2.gz FDXKZOFOTPLLCG-QMMMGPOBSA-N -1 3 271.748 3.143 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)Nc1ncc(Cl)cc1C ZINC000297282286 200133610 /nfs/dbraw/zinc/13/36/10/200133610.db2.gz FDXKZOFOTPLLCG-QMMMGPOBSA-N -1 3 271.748 3.143 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)Nc1ccc(C(C)=O)c(C)c1 ZINC000297664234 200257067 /nfs/dbraw/zinc/25/70/67/200257067.db2.gz FLKJEVQBIWFWOT-SNVBAGLBSA-N -1 3 278.352 3.297 20 0 CGADHM CC(C)[C@H]1CN(C(=O)[N-]c2cnns2)c2ccccc21 ZINC000297679517 200260312 /nfs/dbraw/zinc/26/03/12/200260312.db2.gz GBPZIKQFCQTQTL-LLVKDONJSA-N -1 3 288.376 3.330 20 0 CGADHM CCCc1nc(C(=O)[N-]c2sccc2C(C)=O)co1 ZINC000297825983 200287885 /nfs/dbraw/zinc/28/78/85/200287885.db2.gz LLENEASADNQPQS-UHFFFAOYSA-N -1 3 278.333 3.144 20 0 CGADHM C[C@@H](C(=O)[N-]C1=NCCS1)c1ccc2ccccc2c1 ZINC000177104518 189029113 /nfs/dbraw/zinc/02/91/13/189029113.db2.gz KIRSFFQHDXGLEQ-LLVKDONJSA-N -1 3 284.384 3.162 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])C1[C@@H]2CCC[C@H]12 ZINC000177689951 189063702 /nfs/dbraw/zinc/06/37/02/189063702.db2.gz FBLAJNLJPUILFB-USUYBEQLSA-N -1 3 251.713 3.030 20 0 CGADHM Cc1ccsc1[C@H]1C[C@H]1C(=O)[N-]OCc1ccccc1 ZINC000178556876 189126503 /nfs/dbraw/zinc/12/65/03/189126503.db2.gz KMLUGWNHUNDLJB-UONOGXRCSA-N -1 3 287.384 3.408 20 0 CGADHM CSc1ccsc1C(=O)Nc1ccccc1[O-] ZINC000336323019 213167676 /nfs/dbraw/zinc/16/76/76/213167676.db2.gz FNKCJPNLHUOKRB-UHFFFAOYSA-N -1 3 265.359 3.428 20 0 CGADHM CCC(CC)[C@@H]1C[C@@H](NC(=O)c2ccccc2[O-])CCO1 ZINC000180818097 189277217 /nfs/dbraw/zinc/27/72/17/189277217.db2.gz UWMISTLZFLJRPP-BBRMVZONSA-N -1 3 291.391 3.106 20 0 CGADHM Cc1ccc(OCCCCNC(=O)c2cccc([O-])c2)cc1 ZINC000182100096 189313980 /nfs/dbraw/zinc/31/39/80/189313980.db2.gz BYAGHISOSGUWER-UHFFFAOYSA-N -1 3 299.370 3.290 20 0 CGADHM CCO[C@@H](CCNC(=O)c1cccc([O-])c1)C1CCCC1 ZINC000182548505 189327332 /nfs/dbraw/zinc/32/73/32/189327332.db2.gz JWQISTHTWMMAJJ-INIZCTEOSA-N -1 3 291.391 3.107 20 0 CGADHM CC(C)(C)C[C@H](NC(=O)c1cccc([O-])c1)C(F)(F)F ZINC000183002620 189342343 /nfs/dbraw/zinc/34/23/43/189342343.db2.gz UCSIROALGUSEIK-NSHDSACASA-N -1 3 289.297 3.489 20 0 CGADHM FC(F)(F)c1csc(=NC[C@@H]2CCCC2(F)F)[n-]1 ZINC000450733632 240059257 /nfs/dbraw/zinc/05/92/57/240059257.db2.gz ABZZHIRXYDFYDC-LURJTMIESA-N -1 3 286.269 3.431 20 0 CGADHM CC(C)(C)[C@@H]1CCCN(C(=O)Cc2ccc([O-])c(F)c2)C1 ZINC000451371795 240287947 /nfs/dbraw/zinc/28/79/47/240287947.db2.gz FKMSNBDVENBYEN-CYBMUJFWSA-N -1 3 293.382 3.359 20 0 CGADHM O=C(NC[C@@H]1CCCCC(F)(F)C1)c1c([O-])cccc1O ZINC000451947006 240383515 /nfs/dbraw/zinc/38/35/15/240383515.db2.gz ODHUSBBZHDRREU-SNVBAGLBSA-N -1 3 299.317 3.043 20 0 CGADHM O=C(Nc1ccccc1[O-])c1cc(F)c(F)c(F)c1F ZINC000120943058 370814816 /nfs/dbraw/zinc/81/48/16/370814816.db2.gz BDRNUIANJAZMFG-UHFFFAOYSA-N -1 3 285.196 3.201 20 0 CGADHM CCc1cccc(C(=O)N[C@@H](c2cccnc2)C2CC2)c1[O-] ZINC000537662310 376192068 /nfs/dbraw/zinc/19/20/68/376192068.db2.gz TYZFVCMLLLIPQW-MRXNPFEDSA-N -1 3 296.370 3.231 20 0 CGADHM CCOc1cc(CN2CC[C@@](C)(F)C2)cc(Cl)c1[O-] ZINC000459355517 242089786 /nfs/dbraw/zinc/08/97/86/242089786.db2.gz JXWWXSCXZZVKDX-CQSZACIVSA-N -1 3 287.762 3.378 20 0 CGADHM CCCCN=c1[n-]c(C(=O)OC)c(-c2ccccc2)s1 ZINC000460479077 242269344 /nfs/dbraw/zinc/26/93/44/242269344.db2.gz GXOGRXAVWZAAOM-UHFFFAOYSA-N -1 3 290.388 3.231 20 0 CGADHM C[C@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000461816997 242313854 /nfs/dbraw/zinc/31/38/54/242313854.db2.gz AHRIDCYHMLEHMU-DTWKUNHWSA-N -1 3 293.841 3.116 20 0 CGADHM CCC[C@H]1[C@H](C)CCCN1C(=O)c1ccc(OC)cc1[O-] ZINC000175290183 283997095 /nfs/dbraw/zinc/99/70/95/283997095.db2.gz CBXHMMMZDSBDLM-DOMZBBRYSA-N -1 3 291.391 3.442 20 0 CGADHM Cc1ccc(NC(=O)[C@@H]2CCC[C@H](F)C2)c([O-])c1 ZINC000335517201 212203879 /nfs/dbraw/zinc/20/38/79/212203879.db2.gz YDXSHWSWSXTAIY-MNOVXSKESA-N -1 3 251.301 3.167 20 0 CGADHM CC[C@H]1CCCC[C@H]1C(=O)NCc1ccc([O-])c(F)c1 ZINC000476391761 243011412 /nfs/dbraw/zinc/01/14/12/243011412.db2.gz SVEPMWNUWGCIDN-QWHCGFSZSA-N -1 3 279.355 3.364 20 0 CGADHM O=C(c1cccc([O-])c1)N1CCC[C@H](CC(F)(F)F)C1 ZINC000335490369 212167317 /nfs/dbraw/zinc/16/73/17/212167317.db2.gz ZXJVLWWMMZGXTF-SNVBAGLBSA-N -1 3 287.281 3.197 20 0 CGADHM CN(Cc1ccccc1)Cc1ccc(C(=O)[O-])cc1 ZINC000011822550 368596572 /nfs/dbraw/zinc/59/65/72/368596572.db2.gz DNOVTJLQAOGAAL-UHFFFAOYSA-N -1 3 255.317 3.017 20 0 CGADHM O=C(Nc1ccc([O-])cc1F)C1(Cc2ccccc2)CC1 ZINC000121833907 370899818 /nfs/dbraw/zinc/89/98/18/370899818.db2.gz UBONHBSGOMUYJW-UHFFFAOYSA-N -1 3 285.318 3.493 20 0 CGADHM O=C(Nc1nc2ccccc2s1)c1cccc([O-])c1 ZINC000019838948 368769791 /nfs/dbraw/zinc/76/97/91/368769791.db2.gz YZWRCWSLKBOYLF-UHFFFAOYSA-N -1 3 270.313 3.254 20 0 CGADHM O=C(NCCC1CCCCC1)c1c[n-]c2ccccc2c1=O ZINC000025160662 368842341 /nfs/dbraw/zinc/84/23/41/368842341.db2.gz YFPZTESBYGDTQJ-UHFFFAOYSA-N -1 3 298.386 3.228 20 0 CGADHM O=C(Nc1ccccc1[O-])c1ccc(C(F)(F)F)nc1 ZINC000026355848 368858471 /nfs/dbraw/zinc/85/84/71/368858471.db2.gz CGHZLYCFMVJSCG-UHFFFAOYSA-N -1 3 282.221 3.058 20 0 CGADHM CC(=O)c1cccc(NC(=O)c2cc(-c3ccco3)[n-]n2)c1 ZINC000028272709 368884720 /nfs/dbraw/zinc/88/47/20/368884720.db2.gz GIXGFOINLNDXHU-UHFFFAOYSA-N -1 3 295.298 3.125 20 0 CGADHM CC(=O)c1cccc(NC(=O)c2cc(-c3ccco3)n[n-]2)c1 ZINC000028272709 368884725 /nfs/dbraw/zinc/88/47/25/368884725.db2.gz GIXGFOINLNDXHU-UHFFFAOYSA-N -1 3 295.298 3.125 20 0 CGADHM Cc1cc(Cl)ccc1NC(=O)c1ccc2n[n-]nc2c1 ZINC000029215044 368892681 /nfs/dbraw/zinc/89/26/81/368892681.db2.gz DKQWPOAOLSTOJJ-UHFFFAOYSA-N -1 3 286.722 3.172 20 0 CGADHM Cc1cc(-c2nc(-c3ccc([O-])cc3)no2)c(C)o1 ZINC000034956107 368981705 /nfs/dbraw/zinc/98/17/05/368981705.db2.gz QJRHWCPGRSDREZ-UHFFFAOYSA-N -1 3 256.261 3.319 20 0 CGADHM CCC[C@H](NCc1nc(-c2cccs2)oc1C)C(=O)[O-] ZINC000036838730 369032069 /nfs/dbraw/zinc/03/20/69/369032069.db2.gz HJTFKIOBVOVJNC-JTQLQIEISA-N -1 3 294.376 3.054 20 0 CGADHM O=C(/C=C/Sc1ccccc1)[N-]OC/C=C\Cl ZINC000493125845 244102124 /nfs/dbraw/zinc/10/21/24/244102124.db2.gz GZGWOQJPOJDDNC-WULZKXQJSA-N -1 3 269.753 3.093 20 0 CGADHM COc1ccc(C(=O)N(CC(C)C)CC(C)C)c([O-])c1 ZINC000041638410 369194813 /nfs/dbraw/zinc/19/48/13/369194813.db2.gz DEMLGEZZPYGLLJ-UHFFFAOYSA-N -1 3 279.380 3.155 20 0 CGADHM O=C(/C=C/c1cncs1)Nc1c([O-])cccc1Cl ZINC000493324877 244142098 /nfs/dbraw/zinc/14/20/98/244142098.db2.gz QTJKELOPGDMOJH-SNAWJCMRSA-N -1 3 280.736 3.154 20 0 CGADHM COc1cc(F)ccc1NC(=O)c1cc(C)ccc1[O-] ZINC000042356453 369216349 /nfs/dbraw/zinc/21/63/49/369216349.db2.gz VGWDRXVKZAEPIW-UHFFFAOYSA-N -1 3 275.279 3.101 20 0 CGADHM Cn1ccc(/C=C\C(=O)Nc2cc(Cl)ccc2[O-])c1 ZINC000493450505 244165440 /nfs/dbraw/zinc/16/54/40/244165440.db2.gz LNCNPILKSMIDLR-DJWKRKHSSA-N -1 3 276.723 3.036 20 0 CGADHM Cc1noc([N-]C(=O)c2cc3c(s2)CCCCCC3)n1 ZINC000042702290 369229603 /nfs/dbraw/zinc/22/96/03/369229603.db2.gz DZJBJGIWLGHZNH-UHFFFAOYSA-N -1 3 291.376 3.351 20 0 CGADHM Cc1ccc(C)c(OCC(=O)Nc2ccccc2[O-])c1 ZINC000045621675 369282660 /nfs/dbraw/zinc/28/26/60/369282660.db2.gz LMWJBHKQUAXETR-UHFFFAOYSA-N -1 3 271.316 3.027 20 0 CGADHM Cc1cc(C(=O)Nc2ccc(C)cc2[O-])nn1C(C)(C)C ZINC000044982661 369272318 /nfs/dbraw/zinc/27/23/18/369272318.db2.gz UWVKCWGHTMOOFD-UHFFFAOYSA-N -1 3 287.363 3.213 20 0 CGADHM O=C(CCCc1ccc(Cl)cc1)Nc1ncccc1[O-] ZINC000044948991 369272379 /nfs/dbraw/zinc/27/23/79/369272379.db2.gz YZKSEKCLZUVWBG-UHFFFAOYSA-N -1 3 290.750 3.402 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1F ZINC000048652613 369362548 /nfs/dbraw/zinc/36/25/48/369362548.db2.gz SKMADSAWBBXBNN-UHFFFAOYSA-N -1 3 283.299 3.074 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-][C@H](C)c2c(C)cccc2C)o1 ZINC000330861766 203326174 /nfs/dbraw/zinc/32/61/74/203326174.db2.gz LQDZARVBSUVKJX-CYBMUJFWSA-N -1 3 293.388 3.244 20 0 CGADHM C[C@H](c1ccccc1F)N(C)C(=O)c1cccc([O-])c1 ZINC000062017872 369614861 /nfs/dbraw/zinc/61/48/61/369614861.db2.gz QUCZFTYAXUBWJN-LLVKDONJSA-N -1 3 273.307 3.365 20 0 CGADHM C[C@@H](N[C@@H](C)c1ccccc1Cl)[C@@H](C)C(=O)[O-] ZINC000093028127 296151300 /nfs/dbraw/zinc/15/13/00/296151300.db2.gz DJOHSFABKCWSTN-BBBLOLIVSA-N -1 3 255.745 3.100 20 0 CGADHM Cc1cccc(CNCc2ccc(C(=O)[O-])cc2)c1C ZINC000083514186 370007671 /nfs/dbraw/zinc/00/76/71/370007671.db2.gz NTPZQBRMTOMTOO-UHFFFAOYSA-N -1 3 269.344 3.291 20 0 CGADHM C[C@H](CN(C)Cc1cccc(Cl)c1Cl)C(=O)[O-] ZINC000086807242 370021539 /nfs/dbraw/zinc/02/15/39/370021539.db2.gz UEWMVPNVZFSFHI-MRVPVSSYSA-N -1 3 276.163 3.146 20 0 CGADHM CC[C@H]1CCC[C@@H](NC(=O)c2ccc([O-])c(OC)c2)C1 ZINC000276927438 193502580 /nfs/dbraw/zinc/50/25/80/193502580.db2.gz NOSGFTZVWUTVHC-WCQYABFASA-N -1 3 277.364 3.099 20 0 CGADHM O=C(C[C@@H]1CCOc2ccccc21)Nc1ccccc1[O-] ZINC000117969768 370602927 /nfs/dbraw/zinc/60/29/27/370602927.db2.gz PJTNAZYVDGNNCD-LBPRGKRZSA-N -1 3 283.327 3.287 20 0 CGADHM C[C@@H](C(=O)Nc1ccc([O-])c(Cl)c1)N1CCCCCC1 ZINC000129565251 370993267 /nfs/dbraw/zinc/99/32/67/370993267.db2.gz GJAZPPRPTOOBIC-NSHDSACASA-N -1 3 296.798 3.249 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CCC[C@@H](CC)C2)c1 ZINC000132585697 371185857 /nfs/dbraw/zinc/18/58/57/371185857.db2.gz PIMNKGDNRQQWAL-CYBMUJFWSA-N -1 3 261.365 3.217 20 0 CGADHM C[C@H]1CCC[C@H](CC(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000134080047 371301462 /nfs/dbraw/zinc/30/14/62/371301462.db2.gz CAAVZNFOWAFMCO-RYUDHWBXSA-N -1 3 299.378 3.022 20 0 CGADHM C[C@H]1CCC[C@H](CC(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000134080047 371301465 /nfs/dbraw/zinc/30/14/65/371301465.db2.gz CAAVZNFOWAFMCO-RYUDHWBXSA-N -1 3 299.378 3.022 20 0 CGADHM CC[C@@H]1CCCCCN1C(=O)c1cccc(C)c1[O-] ZINC000134722227 371361455 /nfs/dbraw/zinc/36/14/55/371361455.db2.gz VLSWAMQRIMYASU-CYBMUJFWSA-N -1 3 261.365 3.495 20 0 CGADHM O=C(Cc1ccc([O-])cc1Cl)Nc1ccccc1 ZINC000136050727 371458606 /nfs/dbraw/zinc/45/86/06/371458606.db2.gz ZAVJHHUJFJJDHJ-UHFFFAOYSA-N -1 3 261.708 3.227 20 0 CGADHM C[C@@H]1C[C@H]1CC(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000353344999 220037042 /nfs/dbraw/zinc/03/70/42/220037042.db2.gz JEXSCWQIBQTTPE-SFYZADRCSA-N -1 3 273.254 3.396 20 0 CGADHM COc1ccc(CN[C@H](CC(=O)[O-])c2cccs2)cc1 ZINC000037087852 541861616 /nfs/dbraw/zinc/86/16/16/541861616.db2.gz IBLYHNQGNZRQRC-CYBMUJFWSA-N -1 3 291.372 3.062 20 0 CGADHM CC(C)c1nn(C)cc1NC(=O)c1cc([O-])ccc1Cl ZINC000290322685 371964038 /nfs/dbraw/zinc/96/40/38/371964038.db2.gz ACBZCFQBOIJMFZ-UHFFFAOYSA-N -1 3 293.754 3.155 20 0 CGADHM O=C(c1cc([O-])ccc1Cl)N1CCC2(CCC2)C1 ZINC000290577755 372020457 /nfs/dbraw/zinc/02/04/57/372020457.db2.gz SHJUSRVQVAQGEI-UHFFFAOYSA-N -1 3 265.740 3.062 20 0 CGADHM C[C@@H]1CCC[C@@H](CNC(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000157575211 372027602 /nfs/dbraw/zinc/02/76/02/372027602.db2.gz JZTFOHCPEGGVMQ-VXGBXAGGSA-N -1 3 294.370 3.157 20 0 CGADHM Cc1ccc(C(=O)N2CCC[C@@H](C3CC3)C2)c([O-])c1C ZINC000290677220 372037774 /nfs/dbraw/zinc/03/77/74/372037774.db2.gz QBHMASTXQSKKQW-CQSZACIVSA-N -1 3 273.376 3.271 20 0 CGADHM Cc1cc(C(=O)N2CC3(CCC3)[C@H]2C2CC2)ccc1[O-] ZINC000292137321 372181388 /nfs/dbraw/zinc/18/13/88/372181388.db2.gz TWZFTQWQNRCLAZ-OAHLLOKOSA-N -1 3 271.360 3.105 20 0 CGADHM Cc1n[nH]c(C)c1[C@H](C)CC(=O)Nc1ccc(C)cc1[O-] ZINC000159276145 372124626 /nfs/dbraw/zinc/12/46/26/372124626.db2.gz VQUNSWMYHKTOAQ-SNVBAGLBSA-N -1 3 287.363 3.173 20 0 CGADHM COCC1(CCNCc2cccc([O-])c2Cl)CCC1 ZINC000292968334 372262908 /nfs/dbraw/zinc/26/29/08/372262908.db2.gz MBQGYKJSAWSLTB-UHFFFAOYSA-N -1 3 283.799 3.342 20 0 CGADHM Cc1cccc([C@H](O)CNCc2cccc([O-])c2Cl)c1 ZINC000293141556 372309735 /nfs/dbraw/zinc/30/97/35/372309735.db2.gz CZFIJDVWNBMIOJ-OAHLLOKOSA-N -1 3 291.778 3.177 20 0 CGADHM CS[C@@H]1CCC[C@@H](NCc2c(F)ccc([O-])c2F)C1 ZINC000293515075 372399551 /nfs/dbraw/zinc/39/95/51/372399551.db2.gz CMNIDPVNTRSSGB-NXEZZACHSA-N -1 3 287.375 3.434 20 0 CGADHM CCC[C@@H](C(=O)NCc1ccc([O-])c(F)c1)C(C)C ZINC000162830211 372426559 /nfs/dbraw/zinc/42/65/59/372426559.db2.gz JTHVIDKKELICLU-GFCCVEGCSA-N -1 3 267.344 3.220 20 0 CGADHM CCc1cc(C(=O)N2CC[C@@]3(C)[C@@H](C2)C3(F)F)ccc1[O-] ZINC000293628821 372428677 /nfs/dbraw/zinc/42/86/77/372428677.db2.gz JSPPIBWSTQOHMT-HIFRSBDPSA-N -1 3 295.329 3.072 20 0 CGADHM Cc1cc(C)c2[n-]cc(C(=O)N3CC[C@@H](C)[C@H]3C)c(=O)c2c1 ZINC000164473082 372520142 /nfs/dbraw/zinc/52/01/42/372520142.db2.gz XIFISAIUTLOGJJ-DGCLKSJQSA-N -1 3 298.386 3.428 20 0 CGADHM Cc1cccc2c(=O)c(C(=O)N3CC[C@H](C)[C@@H](C)C3)c[n-]c12 ZINC000165450348 372551660 /nfs/dbraw/zinc/55/16/60/372551660.db2.gz HOKQRIWVGZQUIN-AAEUAGOBSA-N -1 3 298.386 3.367 20 0 CGADHM CC(C)(CC(=O)N1CCCc2cccc([O-])c21)C1CC1 ZINC000294523323 372658532 /nfs/dbraw/zinc/65/85/32/372658532.db2.gz KHQPRWQYABABHD-UHFFFAOYSA-N -1 3 273.376 3.498 20 0 CGADHM CN(Cc1cc(Cl)ccc1F)C(=O)c1cccc([O-])c1 ZINC000434343872 372671048 /nfs/dbraw/zinc/67/10/48/372671048.db2.gz XTWALPFIUQWZGY-UHFFFAOYSA-N -1 3 293.725 3.457 20 0 CGADHM Cn1ccc2cccc([N-]S(=O)(=O)C3=CCCCC3)c21 ZINC000295254106 372720142 /nfs/dbraw/zinc/72/01/42/372720142.db2.gz XDTORHYECRIVPB-UHFFFAOYSA-N -1 3 290.388 3.378 20 0 CGADHM CCCc1cc(=O)[n-]c(C(=Cc2cncc(F)c2)CC)n1 ZINC000435335434 372751623 /nfs/dbraw/zinc/75/16/23/372751623.db2.gz IDJZSQZLEUYABK-SDQBBNPISA-N -1 3 287.338 3.207 20 0 CGADHM COC[C@@]1(C)CCN(C(=O)c2ccc(C(C)C)cc2[O-])C1 ZINC000295494141 372801192 /nfs/dbraw/zinc/80/11/92/372801192.db2.gz OTOLFZRATNYIKB-KRWDZBQOSA-N -1 3 291.391 3.014 20 0 CGADHM Cc1cc(C(=O)N2C[C@@H](C)CC(C)(C)C2)ccc1[O-] ZINC000436829453 372840251 /nfs/dbraw/zinc/84/02/51/372840251.db2.gz BEEIYXVAYYAXHK-NSHDSACASA-N -1 3 261.365 3.209 20 0 CGADHM Cc1cc(C(=O)N2CC[C@@H](C)C[C@@H](C)C2)ccc1[O-] ZINC000436936632 372842739 /nfs/dbraw/zinc/84/27/39/372842739.db2.gz UTEXJAAOAUQNNE-VXGBXAGGSA-N -1 3 261.365 3.209 20 0 CGADHM C[C@H]1C[C@H](C(F)(F)F)CCN1C(=O)c1ccccc1[O-] ZINC000295910671 372953672 /nfs/dbraw/zinc/95/36/72/372953672.db2.gz INVQKMZZBKMXKC-VHSXEESVSA-N -1 3 287.281 3.195 20 0 CGADHM Cc1ccc(C(=O)N2CCCCC(C)(C)C2)c([O-])c1 ZINC000438428659 372953990 /nfs/dbraw/zinc/95/39/90/372953990.db2.gz UKDPGISHVZVLFP-UHFFFAOYSA-N -1 3 261.365 3.353 20 0 CGADHM CN(Cc1ccc(O)cc1)Cc1c(F)ccc([O-])c1F ZINC000353520643 220134937 /nfs/dbraw/zinc/13/49/37/220134937.db2.gz OGQOJHMQSPPDIH-UHFFFAOYSA-N -1 3 279.286 3.008 20 0 CGADHM O=C(Nc1ccccc1[O-])c1n[nH]c2ccc(Cl)cc21 ZINC000431633097 284372304 /nfs/dbraw/zinc/37/23/04/284372304.db2.gz ZQJZXBCQEYVIRL-UHFFFAOYSA-N -1 3 287.706 3.174 20 0 CGADHM CC(C)ON=C([O-])Nc1ccc(Br)cc1F ZINC000296231928 373061862 /nfs/dbraw/zinc/06/18/62/373061862.db2.gz PKXWJBWNOFMEDB-UHFFFAOYSA-N -1 3 291.120 3.050 20 0 CGADHM CC(C)O[N-]C(=O)Nc1ccc(Br)cc1F ZINC000296231928 373061866 /nfs/dbraw/zinc/06/18/66/373061866.db2.gz PKXWJBWNOFMEDB-UHFFFAOYSA-N -1 3 291.120 3.050 20 0 CGADHM CSc1ccccc1[C@H](C)NCc1cnc(C)[n-]c1=O ZINC000442858967 373108031 /nfs/dbraw/zinc/10/80/31/373108031.db2.gz UJGSRLWNENXWKP-JTQLQIEISA-N -1 3 289.404 3.063 20 0 CGADHM Cc1ccc(C(=O)N2CCCC[C@@H]2c2cccn2C)c([O-])c1 ZINC000173539533 373153752 /nfs/dbraw/zinc/15/37/52/373153752.db2.gz ZSPKVIQHYZHKRS-MRXNPFEDSA-N -1 3 298.386 3.407 20 0 CGADHM [O-]c1ccc(F)c(CN2CC(c3ccccc3F)C2)c1F ZINC000353566861 220162359 /nfs/dbraw/zinc/16/23/59/220162359.db2.gz IQTHRZBXRRNVDS-UHFFFAOYSA-N -1 3 293.288 3.409 20 0 CGADHM Cc1cc(O)ccc1NC(=O)c1cn[n-]c1-c1ccsc1 ZINC000444249736 373178009 /nfs/dbraw/zinc/17/80/09/373178009.db2.gz JHHZBHXTLSIMOY-UHFFFAOYSA-N -1 3 299.355 3.405 20 0 CGADHM Cc1cc(O)ccc1NC(=O)c1c[n-]nc1-c1ccsc1 ZINC000444249736 373178014 /nfs/dbraw/zinc/17/80/14/373178014.db2.gz JHHZBHXTLSIMOY-UHFFFAOYSA-N -1 3 299.355 3.405 20 0 CGADHM CCc1cc(=O)[n-]c(CN(C)[C@@H]2CCCC[C@@H]2CC)n1 ZINC000444663437 373224759 /nfs/dbraw/zinc/22/47/59/373224759.db2.gz OSOWAJIEBKRQFN-GXTWGEPZSA-N -1 3 277.412 3.145 20 0 CGADHM COCCN(C(=O)c1ccccc1[O-])[C@@H](C)c1ccccc1 ZINC000298345778 373296686 /nfs/dbraw/zinc/29/66/86/373296686.db2.gz KKRYSVKAIZXLNX-AWEZNQCLSA-N -1 3 299.370 3.242 20 0 CGADHM CCn1c(=O)[n-]nc1SCCCC1CCCC1 ZINC000447358672 373428018 /nfs/dbraw/zinc/42/80/18/373428018.db2.gz IWUZMYDGMWVBLK-UHFFFAOYSA-N -1 3 255.387 3.066 20 0 CGADHM Cc1ccoc1CN(C)C(=O)Cc1ccc([O-])cc1Cl ZINC000345054246 217399549 /nfs/dbraw/zinc/39/95/49/217399549.db2.gz ANSHLOMOPCELCK-UHFFFAOYSA-N -1 3 293.750 3.148 20 0 CGADHM CC1(c2cc([N-]C(=O)c3ccc(Cl)o3)no2)CCCC1 ZINC000448415853 373577890 /nfs/dbraw/zinc/57/78/90/373577890.db2.gz RYRYOYQPFFTPDB-UHFFFAOYSA-N -1 3 294.738 3.427 20 0 CGADHM COc1csc(C(=O)[N-]c2nnc(C(C)(C)C)s2)c1 ZINC000176627554 373618862 /nfs/dbraw/zinc/61/88/62/373618862.db2.gz BLSDTEYYCRHRSF-UHFFFAOYSA-N -1 3 297.405 3.158 20 0 CGADHM C[C@H]1CCCN(Cc2c(F)cccc2Cl)[C@H]1C(=O)[O-] ZINC000300268536 373621455 /nfs/dbraw/zinc/62/14/55/373621455.db2.gz ADPYREDBZYSXQF-TVQRCGJNSA-N -1 3 285.746 3.164 20 0 CGADHM Cc1ccc(-c2cc(C(=O)Nc3ccc(C)c(O)c3)n[n-]2)o1 ZINC000177770759 373708658 /nfs/dbraw/zinc/70/86/58/373708658.db2.gz JTCGRNKHUORDFF-UHFFFAOYSA-N -1 3 297.314 3.244 20 0 CGADHM Cc1ccc2ncnc(NCc3ccc([O-])c(F)c3)c2c1 ZINC000301335292 373750383 /nfs/dbraw/zinc/75/03/83/373750383.db2.gz BUEXSQDDLJRJKH-UHFFFAOYSA-N -1 3 283.306 3.395 20 0 CGADHM Cc1cc(C(=O)NCc2ccc([O-])c(F)c2)c(F)cc1F ZINC000178264987 373759409 /nfs/dbraw/zinc/75/94/09/373759409.db2.gz XCDLTOFWGNCLTR-UHFFFAOYSA-N -1 3 295.260 3.048 20 0 CGADHM CC[C@H](C)c1cc(C(=O)Nc2c(C)cccc2[O-])on1 ZINC000179545561 373886073 /nfs/dbraw/zinc/88/60/73/373886073.db2.gz HGVXMBJSFCITPI-VIFPVBQESA-N -1 3 274.320 3.454 20 0 CGADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H]3CC[C@H](C)C3)nc2)n1 ZINC000302518567 373887718 /nfs/dbraw/zinc/88/77/18/373887718.db2.gz HXALOJCUWGYTLY-SMDDNHRTSA-N -1 3 298.390 3.407 20 0 CGADHM Cc1cc(C(=O)Nc2c(C)cccc2[O-])nn1C(C)(C)C ZINC000179562448 373887819 /nfs/dbraw/zinc/88/78/19/373887819.db2.gz GKXUTWTVPILYQW-UHFFFAOYSA-N -1 3 287.363 3.213 20 0 CGADHM O=C(Nc1cc(Br)ccc1[O-])C1=CCCC1 ZINC000179654492 373898838 /nfs/dbraw/zinc/89/88/38/373898838.db2.gz XKPDCNBMYJBGHY-UHFFFAOYSA-N -1 3 282.137 3.204 20 0 CGADHM COc1cc(NCc2cc([O-])cc(F)c2)cc(OC)c1C ZINC000353667475 220241654 /nfs/dbraw/zinc/24/16/54/220241654.db2.gz UJILIPGRWSHKKL-UHFFFAOYSA-N -1 3 291.322 3.469 20 0 CGADHM CC(C)c1cccnc1NC(=O)Cc1ccc([O-])c(F)c1 ZINC000450205650 373996228 /nfs/dbraw/zinc/99/62/28/373996228.db2.gz OQVPQWVQGFMFSG-UHFFFAOYSA-N -1 3 288.322 3.231 20 0 CGADHM [O-]c1ccc(CNc2ncnc3c(F)cccc23)cc1F ZINC000302892380 373999839 /nfs/dbraw/zinc/99/98/39/373999839.db2.gz OCQPJZXMRONZMP-UHFFFAOYSA-N -1 3 287.269 3.226 20 0 CGADHM Cc1ccc([O-])c(C(=O)NCCOc2cc(C)cc(C)c2)c1 ZINC000303036909 374010092 /nfs/dbraw/zinc/01/00/92/374010092.db2.gz VGTVCMZSHDPWJM-UHFFFAOYSA-N -1 3 299.370 3.126 20 0 CGADHM CCC[C@@H]1CCC[C@H]1C(=O)NCc1ccc([O-])c(F)c1 ZINC000449915193 373969771 /nfs/dbraw/zinc/96/97/71/373969771.db2.gz SRAGDDTWZBRDBV-CHWSQXEVSA-N -1 3 279.355 3.364 20 0 CGADHM COc1ccc(C(=O)NC[C@H](C)c2ccc(C)cc2)c([O-])c1 ZINC000303743777 374027271 /nfs/dbraw/zinc/02/72/71/374027271.db2.gz JGQFXRFKFSUIBS-ZDUSSCGKSA-N -1 3 299.370 3.243 20 0 CGADHM CC1(C)CCC(CNC(=O)Cc2ccc([O-])c(F)c2)CC1 ZINC000450274524 374033719 /nfs/dbraw/zinc/03/37/19/374033719.db2.gz HLKNPRLKHNHTGA-UHFFFAOYSA-N -1 3 293.382 3.406 20 0 CGADHM Cc1ccc(C(=O)Nc2ccc3c(c2)C(=O)CCC3)cc1[O-] ZINC000180846728 374049914 /nfs/dbraw/zinc/04/99/14/374049914.db2.gz VISKTNMMYAFKOR-UHFFFAOYSA-N -1 3 295.338 3.472 20 0 CGADHM COCc1ccsc1C(=O)[N-]c1c(F)cccc1F ZINC000180836097 374050340 /nfs/dbraw/zinc/05/03/40/374050340.db2.gz DIMDQBOCFAXXNM-UHFFFAOYSA-N -1 3 283.299 3.425 20 0 CGADHM O=C(c1cccc([O-])c1)N1CCC[C@H]1Cc1cccc(F)c1 ZINC000182126178 374223319 /nfs/dbraw/zinc/22/33/19/374223319.db2.gz OPEMWZLITCQVCX-INIZCTEOSA-N -1 3 299.345 3.379 20 0 CGADHM CC(C)COc1ccccc1CNC(=O)c1cccc([O-])c1 ZINC000182163616 374228063 /nfs/dbraw/zinc/22/80/63/374228063.db2.gz NKJPACQVTLVWKC-UHFFFAOYSA-N -1 3 299.370 3.357 20 0 CGADHM O=C(Nc1ccc2scnc2c1)c1cccc([O-])c1 ZINC000182286297 374253014 /nfs/dbraw/zinc/25/30/14/374253014.db2.gz RYRCPCDBWROJSG-UHFFFAOYSA-N -1 3 270.313 3.254 20 0 CGADHM Cc1o[n-]c(=NC(=O)c2coc3cc(C)c(C)cc23)c1C ZINC000452165445 374259810 /nfs/dbraw/zinc/25/98/10/374259810.db2.gz QQZINLPAJITGAT-UHFFFAOYSA-N -1 3 284.315 3.329 20 0 CGADHM CC[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)C(F)F ZINC000452264327 374302834 /nfs/dbraw/zinc/30/28/34/374302834.db2.gz MJNZPFKEHYCKNJ-NSHDSACASA-N -1 3 289.297 3.014 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2C[C@H](C)C[C@@H]2c2cccnc2)c1 ZINC000182835975 374333879 /nfs/dbraw/zinc/33/38/79/374333879.db2.gz BYMSHTJTPJXXIM-CZUORRHYSA-N -1 3 296.370 3.319 20 0 CGADHM Cc1cccc([O-])c1NC(=O)Cc1cccc(F)c1F ZINC000183025578 374358420 /nfs/dbraw/zinc/35/84/20/374358420.db2.gz UKPGDEUMGQGMDF-UHFFFAOYSA-N -1 3 277.270 3.160 20 0 CGADHM COc1ccccc1CNCc1cccc([O-])c1Cl ZINC000328269549 374363465 /nfs/dbraw/zinc/36/34/65/374363465.db2.gz WQNGEFNLGFYMKS-UHFFFAOYSA-N -1 3 277.751 3.344 20 0 CGADHM [O-]c1cccc(CNCCOC2CCCC2)c1Cl ZINC000328313926 374363929 /nfs/dbraw/zinc/36/39/29/374363929.db2.gz GKFWJQVVIFZTLW-UHFFFAOYSA-N -1 3 269.772 3.094 20 0 CGADHM O=C(Nc1ccc([O-])cc1F)c1cc(-c2ccco2)on1 ZINC000183249861 374390810 /nfs/dbraw/zinc/39/08/10/374390810.db2.gz JTQPASHOVWIYED-UHFFFAOYSA-N -1 3 288.234 3.032 20 0 CGADHM O=C(c1cccc2[n-]nnc21)N(CC1CC1)C1CCCCC1 ZINC000183556180 374426906 /nfs/dbraw/zinc/42/69/06/374426906.db2.gz CEUSUHARMCAMLG-UHFFFAOYSA-N -1 3 298.390 3.143 20 0 CGADHM O=C(c1cccc2nn[n-]c21)N(CC1CC1)C1CCCCC1 ZINC000183556180 374426914 /nfs/dbraw/zinc/42/69/14/374426914.db2.gz CEUSUHARMCAMLG-UHFFFAOYSA-N -1 3 298.390 3.143 20 0 CGADHM O=C(c1cccc2n[n-]nc21)N(CC1CC1)C1CCCCC1 ZINC000183556180 374426920 /nfs/dbraw/zinc/42/69/20/374426920.db2.gz CEUSUHARMCAMLG-UHFFFAOYSA-N -1 3 298.390 3.143 20 0 CGADHM CCOc1cccc(CN2CCC(CCC(=O)[O-])CC2)c1 ZINC000086755840 541940873 /nfs/dbraw/zinc/94/08/73/541940873.db2.gz FTBGVDLENFIUBY-UHFFFAOYSA-N -1 3 291.391 3.162 20 0 CGADHM C[C@H]1CC[C@H](C(=O)Nc2ccc(C(C)(C)C)cc2[O-])O1 ZINC000330404385 374458803 /nfs/dbraw/zinc/45/88/03/374458803.db2.gz MNYGZRJCDQHXBH-IINYFYTJSA-N -1 3 277.364 3.196 20 0 CGADHM Cc1cc(C(=O)Nc2cc(C(C)(C)C)ccc2[O-])nc(C)n1 ZINC000331246156 374516098 /nfs/dbraw/zinc/51/60/98/374516098.db2.gz RUCOOTKJOBOYSM-UHFFFAOYSA-N -1 3 299.374 3.349 20 0 CGADHM COc1cc(F)ccc1NCc1cc([O-])cc(F)c1 ZINC000184141480 374496973 /nfs/dbraw/zinc/49/69/73/374496973.db2.gz XNKOACWRFUKKJX-UHFFFAOYSA-N -1 3 265.259 3.291 20 0 CGADHM Cc1ccc2c(CS[C@H](C)[C@H](C)O)ccc([O-])c2n1 ZINC000332729205 374590867 /nfs/dbraw/zinc/59/08/67/374590867.db2.gz QXFQIGAJGHXPKQ-WDEREUQCSA-N -1 3 277.389 3.251 20 0 CGADHM CC(C)CC[C@H]1CCC[C@H]1NC(=O)c1csc(=O)[n-]1 ZINC000332937419 374597233 /nfs/dbraw/zinc/59/72/33/374597233.db2.gz NZJXQKKDDWFJFI-GHMZBOCLSA-N -1 3 282.409 3.183 20 0 CGADHM CC[C@@H]1CC[C@H](C)N(C(=O)Cc2ccc([O-])c(F)c2)C1 ZINC000456819517 374632490 /nfs/dbraw/zinc/63/24/90/374632490.db2.gz MTHJNGFQLPEJJL-NWDGAFQWSA-N -1 3 279.355 3.111 20 0 CGADHM O=C(NCc1ccc(C(F)F)cc1)c1cccc([O-])c1 ZINC000185410762 374657609 /nfs/dbraw/zinc/65/76/09/374657609.db2.gz YBYBQUJISQKPRN-UHFFFAOYSA-N -1 3 277.270 3.260 20 0 CGADHM [O-]c1cc(F)cc(CN[C@@H]2CCc3cc(F)ccc32)c1 ZINC000185496645 374674920 /nfs/dbraw/zinc/67/49/20/374674920.db2.gz RTRWFXCPCZMFCK-MRXNPFEDSA-N -1 3 275.298 3.448 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CCC=C(c3ccncc3)C2)c1 ZINC000334358747 374682838 /nfs/dbraw/zinc/68/28/38/374682838.db2.gz UCQCZWAOIHDUPC-UHFFFAOYSA-N -1 3 294.354 3.025 20 0 CGADHM [O-]c1cc(F)cc(CNCc2nc(C3CC3)cs2)c1 ZINC000185581406 374691227 /nfs/dbraw/zinc/69/12/27/374691227.db2.gz RMCBJQGIQXAZOK-UHFFFAOYSA-N -1 3 278.352 3.155 20 0 CGADHM COc1ccccc1CN(C)Cc1cc([O-])cc(F)c1 ZINC000186158551 374806622 /nfs/dbraw/zinc/80/66/22/374806622.db2.gz CNVNWZVXTWHQPK-UHFFFAOYSA-N -1 3 275.323 3.172 20 0 CGADHM CC(C)[C@@H]1CN(Cc2cc([O-])cc(F)c2)CCS1 ZINC000186262810 374822720 /nfs/dbraw/zinc/82/27/20/374822720.db2.gz CCUYNAUUBBCIPF-AWEZNQCLSA-N -1 3 269.385 3.105 20 0 CGADHM CCC[C@H](NC(=O)c1ccc([O-])c(OC)c1)C1CCCC1 ZINC000458345234 374774962 /nfs/dbraw/zinc/77/49/62/374774962.db2.gz QYGFWHACAFTSCZ-AWEZNQCLSA-N -1 3 291.391 3.490 20 0 CGADHM CCc1cc(C(=O)N2CCC(C(F)F)CC2)ccc1[O-] ZINC000334493298 374791890 /nfs/dbraw/zinc/79/18/90/374791890.db2.gz LDLXCRPSKZGYSA-UHFFFAOYSA-N -1 3 283.318 3.072 20 0 CGADHM C[C@@H]1[C@H](C(=O)[O-])CCCN1Cc1cc2cc(F)ccc2o1 ZINC000334598730 374894915 /nfs/dbraw/zinc/89/49/15/374894915.db2.gz YDIPJGYQAUTUHP-QMTHXVAHSA-N -1 3 291.322 3.257 20 0 CGADHM C[C@@H]1CCC[C@@H](CCSc2nc3nncc-3c(O)[n-]2)C1 ZINC000464772214 374896960 /nfs/dbraw/zinc/89/69/60/374896960.db2.gz GOKKFODIXBCNGJ-ZJUUUORDSA-N -1 3 292.408 3.367 20 0 CGADHM COc1cc(C(=O)N2CCC(C)(C3CC3)CC2)ccc1[O-] ZINC000334642400 374934497 /nfs/dbraw/zinc/93/44/97/374934497.db2.gz OYFUUEBLHDMKKF-UHFFFAOYSA-N -1 3 289.375 3.053 20 0 CGADHM CC[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000465498928 374954528 /nfs/dbraw/zinc/95/45/28/374954528.db2.gz DAENMSOUIVXGCX-DTWKUNHWSA-N -1 3 293.841 3.259 20 0 CGADHM O=C(c1csc(=O)[n-]1)N1CCC[C@@H]1C1CCCCC1 ZINC000334614897 374907567 /nfs/dbraw/zinc/90/75/67/374907567.db2.gz YSRSCDMXHDVMKT-GFCCVEGCSA-N -1 3 280.393 3.034 20 0 CGADHM CCSc1cccc(NC([O-])=NO[C@H]2CCCCO2)c1 ZINC000187206138 374987006 /nfs/dbraw/zinc/98/70/06/374987006.db2.gz DCYAYCZOWTZWMF-ZDUSSCGKSA-N -1 3 296.392 3.378 20 0 CGADHM CCSc1cccc(NC(=O)[N-]O[C@H]2CCCCO2)c1 ZINC000187206138 374987011 /nfs/dbraw/zinc/98/70/11/374987011.db2.gz DCYAYCZOWTZWMF-ZDUSSCGKSA-N -1 3 296.392 3.378 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)N1CCCc2ccccc2C1 ZINC000334723393 375005800 /nfs/dbraw/zinc/00/58/00/375005800.db2.gz UQINUQMTSYCTBK-UHFFFAOYSA-N -1 3 299.345 3.049 20 0 CGADHM CC[C@H]1[C@@H](C)CCN1C(=O)Cc1ccc([O-])cc1Cl ZINC000187442525 375021881 /nfs/dbraw/zinc/02/18/81/375021881.db2.gz JLGJEPVKWHNUFZ-HZMBPMFUSA-N -1 3 281.783 3.235 20 0 CGADHM Cc1ccc(C(=O)Nc2cccc([O-])c2F)c(C2CC2)n1 ZINC000334742063 375025516 /nfs/dbraw/zinc/02/55/16/375025516.db2.gz XEDMQAYBTMJNAW-UHFFFAOYSA-N -1 3 286.306 3.364 20 0 CGADHM CCc1ccc(C(=O)N(C)CCc2cccs2)c([O-])c1 ZINC000187879638 375111506 /nfs/dbraw/zinc/11/15/06/375111506.db2.gz QDARHATXAIEOBE-UHFFFAOYSA-N -1 3 289.400 3.331 20 0 CGADHM CC(C)c1cccnc1NC(=O)c1cccc([O-])c1 ZINC000335105034 375134479 /nfs/dbraw/zinc/13/44/79/375134479.db2.gz RQZAODQKZPHVFG-UHFFFAOYSA-N -1 3 256.305 3.163 20 0 CGADHM CCC1(CC)CCN(C(=O)c2ccc3n[n-]nc3c2)CC1 ZINC000188593713 375239534 /nfs/dbraw/zinc/23/95/34/375239534.db2.gz QXNGLVRQVIDBKS-UHFFFAOYSA-N -1 3 286.379 3.000 20 0 CGADHM O=C(Nc1cccc(O)c1)c1cc([O-])ccc1C(F)(F)F ZINC000188395265 375208414 /nfs/dbraw/zinc/20/84/14/375208414.db2.gz JNOQLFDIIBDVOP-UHFFFAOYSA-N -1 3 297.232 3.369 20 0 CGADHM COc1ccc([O-])c(C(=O)N(C)[C@@H](C)C2CCCCC2)c1 ZINC000487222593 375208681 /nfs/dbraw/zinc/20/86/81/375208681.db2.gz AJSNUHHOROAURX-LBPRGKRZSA-N -1 3 291.391 3.442 20 0 CGADHM CCC(CC)NC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000188412228 375210017 /nfs/dbraw/zinc/21/00/17/375210017.db2.gz GCOYOXDPSCOFGH-UHFFFAOYSA-N -1 3 275.270 3.329 20 0 CGADHM CCc1cc(C(=O)N(CC)CC2CCC2)ccc1[O-] ZINC000487596810 375260727 /nfs/dbraw/zinc/26/07/27/375260727.db2.gz KKGYUPFHIASWOC-UHFFFAOYSA-N -1 3 261.365 3.217 20 0 CGADHM CC(C)(C)c1ccc(NC(=O)c2cccc(=O)[nH]2)c([O-])c1 ZINC000334258076 206270550 /nfs/dbraw/zinc/27/05/50/206270550.db2.gz OKKVEXKUTCKYTL-UHFFFAOYSA-N -1 3 286.331 3.043 20 0 CGADHM C[C@H]([N-]S(=O)(=O)c1ccco1)[C@@H](C)C1CCCCC1 ZINC000188744530 375262661 /nfs/dbraw/zinc/26/26/61/375262661.db2.gz VPBIEFHJXLQRIB-NEPJUHHUSA-N -1 3 285.409 3.163 20 0 CGADHM O=C(NCc1ccccc1)c1cc([O-])ccc1C(F)(F)F ZINC000188814004 375273046 /nfs/dbraw/zinc/27/30/46/375273046.db2.gz LPRVKFOOGMKJSJ-UHFFFAOYSA-N -1 3 295.260 3.341 20 0 CGADHM O=C(NC1CCCCC1)c1cc([O-])ccc1C(F)(F)F ZINC000188814742 375273472 /nfs/dbraw/zinc/27/34/72/375273472.db2.gz FKGSFLKMTMYHIO-UHFFFAOYSA-N -1 3 287.281 3.474 20 0 CGADHM COc1ccc(N(C)C(=O)c2ccc([O-])c(C)c2)cc1F ZINC000335823750 375460601 /nfs/dbraw/zinc/46/06/01/375460601.db2.gz LCXGTLOGBHBCGB-UHFFFAOYSA-N -1 3 289.306 3.125 20 0 CGADHM CC(=O)c1cccc(NC(=O)c2ccc(F)c(F)c2)c1[O-] ZINC000335801739 375442464 /nfs/dbraw/zinc/44/24/64/375442464.db2.gz PSAKQDMOCZFTET-UHFFFAOYSA-N -1 3 291.253 3.125 20 0 CGADHM C[C@@H](c1ccc(F)cc1F)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000263390747 296229468 /nfs/dbraw/zinc/22/94/68/296229468.db2.gz YPZNKECCVJHXPY-VWYCJHECSA-N -1 3 283.318 3.068 20 0 CGADHM O=C(NCc1ccc(Cl)cn1)c1cc([O-])ccc1Cl ZINC000335936715 375551445 /nfs/dbraw/zinc/55/14/45/375551445.db2.gz IVMDBTXVVIQRBA-UHFFFAOYSA-N -1 3 297.141 3.024 20 0 CGADHM CSc1cccc(C)c1[N-]C(=O)c1ocnc1C ZINC000336058321 375653755 /nfs/dbraw/zinc/65/37/55/375653755.db2.gz VPEMPFYJJAIWBF-UHFFFAOYSA-N -1 3 262.334 3.266 20 0 CGADHM O=C(Nc1ncccc1[O-])C1(c2ccc(Cl)cc2)CC1 ZINC000191594391 375642271 /nfs/dbraw/zinc/64/22/71/375642271.db2.gz UWLHBLPTHJYBAH-UHFFFAOYSA-N -1 3 288.734 3.111 20 0 CGADHM Cc1ccccc1[C@@H](C)N(C)C(=O)c1ccc(O)cc1[O-] ZINC000336157633 375734278 /nfs/dbraw/zinc/73/42/78/375734278.db2.gz SSPOEUNBLPZUPX-GFCCVEGCSA-N -1 3 285.343 3.239 20 0 CGADHM COc1cc(C(=O)N2Cc3ccccc3[C@@H]2C)ccc1[O-] ZINC000336171620 375746816 /nfs/dbraw/zinc/74/68/16/375746816.db2.gz QELUHTWMUAWAPX-NSHDSACASA-N -1 3 283.327 3.118 20 0 CGADHM CCc1ocnc1C(=O)[N-]c1cc(Cl)cc(F)c1F ZINC000336172100 375747169 /nfs/dbraw/zinc/74/71/69/375747169.db2.gz BWFDQODMQJIJOX-UHFFFAOYSA-N -1 3 286.665 3.421 20 0 CGADHM CNc1ccc(Cl)c(C(=O)Nc2ccccc2[O-])c1 ZINC000336442237 375794992 /nfs/dbraw/zinc/79/49/92/375794992.db2.gz QMUJDKWWCDSXAL-UHFFFAOYSA-N -1 3 276.723 3.340 20 0 CGADHM O=C(c1ccccc1[O-])N1CCC[C@H]1c1cccs1 ZINC000192917685 375801631 /nfs/dbraw/zinc/80/16/31/375801631.db2.gz REULHEWXKLDZBT-LBPRGKRZSA-N -1 3 273.357 3.431 20 0 CGADHM FC(F)c1nnc([N-]Cc2sccc2Cl)o1 ZINC000192759856 375786907 /nfs/dbraw/zinc/78/69/07/375786907.db2.gz IBKURVBLLBMVJY-UHFFFAOYSA-N -1 3 265.672 3.334 20 0 CGADHM COc1c(F)cc(NC(=O)c2ccc([O-])c(C)c2)cc1F ZINC000336588400 375855824 /nfs/dbraw/zinc/85/58/24/375855824.db2.gz MSDXPWZTWURFQX-UHFFFAOYSA-N -1 3 293.269 3.240 20 0 CGADHM CC(C)[C@@H](C)CNC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000193321995 375860365 /nfs/dbraw/zinc/86/03/65/375860365.db2.gz NSUHLVTVNBCDNO-VIFPVBQESA-N -1 3 289.297 3.433 20 0 CGADHM Cc1ccc([O-])c(CNc2ccsc2Cl)n1 ZINC000336671589 375898611 /nfs/dbraw/zinc/89/86/11/375898611.db2.gz HAXMYHNFWOKIOW-UHFFFAOYSA-N -1 3 254.742 3.423 20 0 CGADHM C[C@@H](NCc1cc([O-])ccc1Br)C(F)(F)F ZINC000336782741 375934247 /nfs/dbraw/zinc/93/42/47/375934247.db2.gz YQZCIYJSRIBJDP-ZCFIWIBFSA-N -1 3 298.102 3.195 20 0 CGADHM O=C([N-][C@@H](c1cccc(Cl)c1)c1ccccn1)C(F)F ZINC000194751113 376039839 /nfs/dbraw/zinc/03/98/39/376039839.db2.gz OHESVPSYMSGRMW-LBPRGKRZSA-N -1 3 296.704 3.206 20 0 CGADHM CCCCSCCC(=O)Nc1cccc([O-])c1F ZINC000535657139 376046247 /nfs/dbraw/zinc/04/62/47/376046247.db2.gz ALLXMVBHFQALDL-UHFFFAOYSA-N -1 3 271.357 3.393 20 0 CGADHM CCc1cccc(C(=O)N(C)[C@H](C)CCSC)c1[O-] ZINC000538759883 376269759 /nfs/dbraw/zinc/26/97/59/376269759.db2.gz ARFAJJOROUZQDG-LLVKDONJSA-N -1 3 281.421 3.168 20 0 CGADHM CCc1cccc(C(=O)N(Cc2cccnc2)C2CC2)c1[O-] ZINC000539847788 376342078 /nfs/dbraw/zinc/34/20/78/376342078.db2.gz HFJMLVFKPUBBEJ-UHFFFAOYSA-N -1 3 296.370 3.154 20 0 CGADHM COc1ccc(-c2nc(-c3ccc([O-])cc3)no2)c(F)c1 ZINC000225259316 376300363 /nfs/dbraw/zinc/30/03/63/376300363.db2.gz PNNIMZHHQXGGLD-UHFFFAOYSA-N -1 3 286.262 3.257 20 0 CGADHM C[C@H]1C[C@H]1c1ccc(CNC(=O)c2cccc([O-])c2)o1 ZINC000540962323 376411199 /nfs/dbraw/zinc/41/11/99/376411199.db2.gz FCRNBVUUEQRZHQ-IINYFYTJSA-N -1 3 271.316 3.039 20 0 CGADHM CCC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(C)o1 ZINC000540218999 376368125 /nfs/dbraw/zinc/36/81/25/376368125.db2.gz YVCFSDJFYCWZID-STQMWFEESA-N -1 3 285.409 3.225 20 0 CGADHM Cc1cc(C(=O)NCc2ccc(Cl)cc2)ccc1[O-] ZINC000226713509 376370421 /nfs/dbraw/zinc/37/04/21/376370421.db2.gz OOCPSZARDRXWLY-UHFFFAOYSA-N -1 3 275.735 3.284 20 0 CGADHM Cc1cc(C(=O)N(C)[C@@H]2CCCC[C@H]2C)ccc1[O-] ZINC000226954103 376377144 /nfs/dbraw/zinc/37/71/44/376377144.db2.gz NZIOQOXAMLXLSE-BXUZGUMPSA-N -1 3 261.365 3.351 20 0 CGADHM CC[C@H]1CCCCCN1C(=O)c1ccc([O-])c(C)c1 ZINC000227033001 376378822 /nfs/dbraw/zinc/37/88/22/376378822.db2.gz YKGQULXCEQFFAG-AWEZNQCLSA-N -1 3 261.365 3.495 20 0 CGADHM O=C([O-])[C@H](NCc1cccc2cc[nH]c21)c1ccccc1 ZINC000229647252 376467625 /nfs/dbraw/zinc/46/76/25/376467625.db2.gz LKPQJAYZDGMLQH-MRXNPFEDSA-N -1 3 280.327 3.083 20 0 CGADHM Cc1noc(C)c1[N-]C(=O)c1csc(C(C)(C)C)n1 ZINC000263993167 190087859 /nfs/dbraw/zinc/08/78/59/190087859.db2.gz OOLPTBFOZOIQQF-UHFFFAOYSA-N -1 3 279.365 3.298 20 0 CGADHM CC[C@H](CSC)N(C)C(=O)c1cc([O-])ccc1Cl ZINC000234018103 376609806 /nfs/dbraw/zinc/60/98/06/376609806.db2.gz HKWBTJKMELVWSD-SECBINFHSA-N -1 3 287.812 3.259 20 0 CGADHM C[C@@H]1CCC[C@@H](NC(=O)c2cc([O-])ccc2Cl)C1 ZINC000235413653 376638871 /nfs/dbraw/zinc/63/88/71/376638871.db2.gz DDIMRXHEZFHYRA-NXEZZACHSA-N -1 3 267.756 3.354 20 0 CGADHM C[C@H]1CCCN(Cc2ccc(F)c(Cl)c2)[C@@H]1C(=O)[O-] ZINC000235667299 376648534 /nfs/dbraw/zinc/64/85/34/376648534.db2.gz UKAVNEQULBIIDL-ZANVPECISA-N -1 3 285.746 3.164 20 0 CGADHM C[C@H]1CCCN(Cc2ccc(Cl)cc2F)[C@@H]1C(=O)[O-] ZINC000235666474 376648776 /nfs/dbraw/zinc/64/87/76/376648776.db2.gz ATPJOQANOBYPQN-ZANVPECISA-N -1 3 285.746 3.164 20 0 CGADHM O=C(c1cc([O-])ccc1Cl)N1CCC[C@H]2CCC[C@H]21 ZINC000236604535 376670214 /nfs/dbraw/zinc/67/02/14/376670214.db2.gz AGUCKCHBVOKIGG-QMTHXVAHSA-N -1 3 279.767 3.450 20 0 CGADHM CC1(C)CC[C@@H]1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000346125931 217808886 /nfs/dbraw/zinc/80/88/86/217808886.db2.gz ZMVLEZZDBGQPNB-AWEZNQCLSA-N -1 3 279.355 3.159 20 0 CGADHM COc1ccc(NC(=O)CSc2ccccc2)c([O-])c1 ZINC000135426013 542086991 /nfs/dbraw/zinc/08/69/91/542086991.db2.gz OGPXZCMQZBBXTG-UHFFFAOYSA-N -1 3 289.356 3.132 20 0 CGADHM COc1ccc(NC(=O)c2ccc(Cl)s2)c([O-])c1 ZINC000135422975 542087311 /nfs/dbraw/zinc/08/73/11/542087311.db2.gz NRSHWQBVUIWRHQ-UHFFFAOYSA-N -1 3 283.736 3.368 20 0 CGADHM COc1ccc(NC(=O)c2c(C)[nH]c3ccccc32)c([O-])c1 ZINC000135426673 542087836 /nfs/dbraw/zinc/08/78/36/542087836.db2.gz NKTNHVMCTNWSIO-UHFFFAOYSA-N -1 3 296.326 3.443 20 0 CGADHM COc1ccc(NC(=O)c2c(F)cccc2Cl)c([O-])c1 ZINC000135426878 542088199 /nfs/dbraw/zinc/08/81/99/542088199.db2.gz OVBHHRRKEIUTOH-UHFFFAOYSA-N -1 3 295.697 3.446 20 0 CGADHM CCN(C(=O)c1cc(F)cc2[n-]nnc21)c1ccccc1C ZINC000556922207 376906424 /nfs/dbraw/zinc/90/64/24/376906424.db2.gz ZOEILDOMFLGVCR-UHFFFAOYSA-N -1 3 298.321 3.072 20 0 CGADHM CCN(C(=O)c1cc(F)cc2nn[n-]c21)c1ccccc1C ZINC000556922207 376906434 /nfs/dbraw/zinc/90/64/34/376906434.db2.gz ZOEILDOMFLGVCR-UHFFFAOYSA-N -1 3 298.321 3.072 20 0 CGADHM CCN(C(=O)c1cc(F)cc2n[n-]nc21)c1ccccc1C ZINC000556922207 376906442 /nfs/dbraw/zinc/90/64/42/376906442.db2.gz ZOEILDOMFLGVCR-UHFFFAOYSA-N -1 3 298.321 3.072 20 0 CGADHM [O-]c1cccnc1CN1CCCCC[C@@H]1c1ccco1 ZINC000557521807 376942339 /nfs/dbraw/zinc/94/23/39/376942339.db2.gz WTJSSLUCHPNHHH-CQSZACIVSA-N -1 3 272.348 3.498 20 0 CGADHM Cc1cccc(C(=O)N2[C@H](C)C[C@H]3CCCC[C@H]32)c1[O-] ZINC000246766190 377085095 /nfs/dbraw/zinc/08/50/95/377085095.db2.gz LNGCJTQZCXGMTC-UMVBOHGHSA-N -1 3 273.376 3.494 20 0 CGADHM CC(C)(NCc1ccc(-c2ccccc2F)o1)C(=O)[O-] ZINC000340683412 377213759 /nfs/dbraw/zinc/21/37/59/377213759.db2.gz VPJDQEZXGIMSQU-UHFFFAOYSA-N -1 3 277.295 3.039 20 0 CGADHM CCC(=Cc1nc(-c2ccc3n[n-]nc3c2)no1)CC ZINC000563232678 377425824 /nfs/dbraw/zinc/42/58/24/377425824.db2.gz FHFGRWDZFMRDJE-UHFFFAOYSA-N -1 3 269.308 3.211 20 0 CGADHM CC(C)Cn1nccc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000563192078 377419077 /nfs/dbraw/zinc/41/90/77/377419077.db2.gz FESXBHRTYZNYIX-UHFFFAOYSA-N -1 3 293.754 3.150 20 0 CGADHM CC(C)N(CCC(=O)[O-])Cc1ccc(Cl)cc1F ZINC000162537407 542164606 /nfs/dbraw/zinc/16/46/06/542164606.db2.gz NKEJFMKGIBBPKG-UHFFFAOYSA-N -1 3 273.735 3.164 20 0 CGADHM C[C@@H](NC(=O)c1c([O-])cccc1O)c1ccccc1Cl ZINC000092102573 249032150 /nfs/dbraw/zinc/03/21/50/249032150.db2.gz MWCMNZQPMVIKIB-SECBINFHSA-N -1 3 291.734 3.242 20 0 CGADHM Cc1cc(C(=O)NC(C)(C)c2ccccc2)ccc1[O-] ZINC000312417807 249080411 /nfs/dbraw/zinc/08/04/11/249080411.db2.gz OMBNFLJFUBGKRC-UHFFFAOYSA-N -1 3 269.344 3.366 20 0 CGADHM C[C@@H](CCC(=O)[O-])NCc1cc(Cl)sc1Cl ZINC000312670621 249082050 /nfs/dbraw/zinc/08/20/50/249082050.db2.gz RLOKPYDBPFTEDQ-LURJTMIESA-N -1 3 282.192 3.398 20 0 CGADHM Cc1ccccc1NCCc1nc(-c2ccc([O-])cc2)no1 ZINC000314433283 249095537 /nfs/dbraw/zinc/09/55/37/249095537.db2.gz AONWYKFZIMSTRU-UHFFFAOYSA-N -1 3 295.342 3.405 20 0 CGADHM CN(CC1CCC1)[C@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000514729656 249186925 /nfs/dbraw/zinc/18/69/25/249186925.db2.gz KHGMMMGVGDJURW-ZDUSSCGKSA-N -1 3 285.746 3.337 20 0 CGADHM Cc1ccc(C[C@@H](C)N(C)Cc2cc(C(=O)[O-])co2)cc1 ZINC000573733778 377568114 /nfs/dbraw/zinc/56/81/14/377568114.db2.gz LSANMWWHBJFGKP-CYBMUJFWSA-N -1 3 287.359 3.349 20 0 CGADHM CCCC[C@@H](C(=O)[O-])N(C)Cc1cc(Cl)ccc1OC ZINC000516479483 249235056 /nfs/dbraw/zinc/23/50/56/249235056.db2.gz MCOFGBOKJOGLPH-ZDUSSCGKSA-N -1 3 299.798 3.424 20 0 CGADHM C[C@@H](NCc1occc1C(=O)[O-])[C@H](C)c1ccccc1 ZINC000517240741 249260488 /nfs/dbraw/zinc/26/04/88/249260488.db2.gz MLQLJFGMEUKHSQ-NWDGAFQWSA-N -1 3 273.332 3.260 20 0 CGADHM Cc1noc(C)c1[C@@H](C)C(=O)Nc1c(C)cccc1[O-] ZINC000179552621 542201008 /nfs/dbraw/zinc/20/10/08/542201008.db2.gz VCEREYYXOIJOKD-SECBINFHSA-N -1 3 274.320 3.048 20 0 CGADHM CN(Cc1occc1C(=O)[O-])[C@@H]1CCCc2ccccc21 ZINC000574406199 377658981 /nfs/dbraw/zinc/65/89/81/377658981.db2.gz JMDZRDCAPLZTCT-OAHLLOKOSA-N -1 3 285.343 3.487 20 0 CGADHM CC(=O)c1cccc(NC(=O)[C@@H]2CCCC[C@@H]2C)c1[O-] ZINC000575048535 377742971 /nfs/dbraw/zinc/74/29/71/377742971.db2.gz XPYPLIKXJQXOEL-CMPLNLGQSA-N -1 3 275.348 3.360 20 0 CGADHM CCCc1cc(N2CC[C@@H](C(=O)[O-])C2)c2ccccc2n1 ZINC000263464552 377939460 /nfs/dbraw/zinc/93/94/60/377939460.db2.gz CJWLECFOOVTYSY-GFCCVEGCSA-N -1 3 284.359 3.098 20 0 CGADHM Cc1ccc(CN2C[C@@H](C(=O)[O-])CC[C@H]2C)cc1Cl ZINC000263490808 377940790 /nfs/dbraw/zinc/94/07/90/377940790.db2.gz IMFMCQVXGZTJEY-YPMHNXCESA-N -1 3 281.783 3.334 20 0 CGADHM C[C@@H](CN(C)Cc1ccc(-c2ccc(F)cc2)o1)C(=O)[O-] ZINC000263529629 377944300 /nfs/dbraw/zinc/94/43/00/377944300.db2.gz VUNQHDOWZSXSSY-NSHDSACASA-N -1 3 291.322 3.238 20 0 CGADHM Cc1ccc(C(=O)N(C(C)C)C2CCCC2)c([O-])c1 ZINC000264037292 377955064 /nfs/dbraw/zinc/95/50/64/377955064.db2.gz HCKOCBGJOHFHAK-UHFFFAOYSA-N -1 3 261.365 3.494 20 0 CGADHM CS[C@H]1CCCCN([C@@H](C)c2ccc(C(=O)[O-])o2)C1 ZINC000578076705 378036232 /nfs/dbraw/zinc/03/62/32/378036232.db2.gz VQCNBJBAHPUAEC-QWRGUYRKSA-N -1 3 283.393 3.256 20 0 CGADHM CC(C)(C)C[C@@H](O)CC(=O)Nc1c([O-])cccc1Cl ZINC000578246628 378052311 /nfs/dbraw/zinc/05/23/11/378052311.db2.gz WUTAUWYABJILFF-VIFPVBQESA-N -1 3 285.771 3.171 20 0 CGADHM CC[C@@H]1Cc2ccccc2CN1Cc1ccc(C(=O)[O-])cn1 ZINC000578515008 378077456 /nfs/dbraw/zinc/07/74/56/378077456.db2.gz HAJRNKJTCZFVAV-QGZVFWFLSA-N -1 3 296.370 3.117 20 0 CGADHM C[C@@H](CN(C)Cc1ccc(C(=O)[O-])cn1)c1ccccc1 ZINC000578900929 378112594 /nfs/dbraw/zinc/11/25/94/378112594.db2.gz ZSNSWLSCTAYZDZ-ZDUSSCGKSA-N -1 3 284.359 3.015 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2ccc3c(c2)CCCC3=O)c1 ZINC000343868910 378119178 /nfs/dbraw/zinc/11/91/78/378119178.db2.gz BKNMOXSZRMQWIM-UHFFFAOYSA-N -1 3 295.338 3.472 20 0 CGADHM CC(C)N(CC(F)F)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000269133837 378190287 /nfs/dbraw/zinc/19/02/87/378190287.db2.gz HZNCDDGHKDRSRJ-UHFFFAOYSA-N -1 3 294.301 3.056 20 0 CGADHM Cc1oc(C2CC2)nc1C(=O)Nc1c([O-])cccc1Cl ZINC000579970812 378214305 /nfs/dbraw/zinc/21/43/05/378214305.db2.gz LZJNQGBHEAHKON-UHFFFAOYSA-N -1 3 292.722 3.472 20 0 CGADHM C[C@@H]1C[C@H](C)CCN(C(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC000269849648 378272257 /nfs/dbraw/zinc/27/22/57/378272257.db2.gz XQJZXMFPJQAHAC-CHWSQXEVSA-N -1 3 298.386 3.449 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2ccc([C@H]3CCOC3)cc2)c1 ZINC000580112660 378225081 /nfs/dbraw/zinc/22/50/81/378225081.db2.gz WCPNPRNAWBDYBH-AWEZNQCLSA-N -1 3 297.354 3.457 20 0 CGADHM CC[C@H](SC)c1nc(-c2ccc([O-])cc2)no1 ZINC000269489775 378229123 /nfs/dbraw/zinc/22/91/23/378229123.db2.gz RYJHSBWWGWCYPI-JTQLQIEISA-N -1 3 250.323 3.256 20 0 CGADHM CCS[C@H]1CC[C@H](N(C)Cc2ccc(C(=O)[O-])o2)C1 ZINC000583267822 378316040 /nfs/dbraw/zinc/31/60/40/378316040.db2.gz HSTSTPIDOQFJIP-JQWIXIFHSA-N -1 3 283.393 3.084 20 0 CGADHM CCCN(CCC)C(=O)c1ccc2[n-]c(OCC)nc2c1 ZINC000345611431 378322854 /nfs/dbraw/zinc/32/28/54/378322854.db2.gz MVPVOJRISJCPDK-UHFFFAOYSA-N -1 3 289.379 3.224 20 0 CGADHM CCCN(CCC)C(=O)c1ccc2nc(OCC)[n-]c2c1 ZINC000345611431 378322860 /nfs/dbraw/zinc/32/28/60/378322860.db2.gz MVPVOJRISJCPDK-UHFFFAOYSA-N -1 3 289.379 3.224 20 0 CGADHM C[C@H]1Cc2ccccc2CN1Cc1ccccc1C(=O)[O-] ZINC000583505012 378328247 /nfs/dbraw/zinc/32/82/47/378328247.db2.gz OFTILXJSRYQBPJ-ZDUSSCGKSA-N -1 3 281.355 3.332 20 0 CGADHM CC[C@H]1C[C@H](C)CN1C(=O)c1c[n-]c2ccc(C)cc2c1=O ZINC000583744765 378343284 /nfs/dbraw/zinc/34/32/84/378343284.db2.gz XGBASEMKTGQFAI-STQMWFEESA-N -1 3 298.386 3.097 20 0 CGADHM CC1(CNC(=O)c2ccc3n[n-]nc3c2)CCCCCC1 ZINC000345742663 378361521 /nfs/dbraw/zinc/36/15/21/378361521.db2.gz RZNJUAJTKKFGKP-UHFFFAOYSA-N -1 3 286.379 3.048 20 0 CGADHM CC(C)C1(CNC(=O)CCCc2ccc([O-])c(F)c2)CC1 ZINC000345900079 378404113 /nfs/dbraw/zinc/40/41/13/378404113.db2.gz NKJHSFZRAHZCCK-UHFFFAOYSA-N -1 3 293.382 3.406 20 0 CGADHM Cc1ccc(C(C)(C)C(=O)Nc2nc(C)ccc2[O-])cc1 ZINC000345923527 378409221 /nfs/dbraw/zinc/40/92/21/378409221.db2.gz IDDJPQREDWAXIC-UHFFFAOYSA-N -1 3 284.359 3.320 20 0 CGADHM Cc1ccc([O-])c(NC(=O)Cc2c[nH]c3c2cccc3C)n1 ZINC000345922826 378409415 /nfs/dbraw/zinc/40/94/15/378409415.db2.gz GNGXZLQWJKQMQJ-UHFFFAOYSA-N -1 3 295.342 3.067 20 0 CGADHM Cc1oc(CN(C)C[C@@H](C)CC(C)C)cc1C(=O)[O-] ZINC000583999669 378366084 /nfs/dbraw/zinc/36/60/84/378366084.db2.gz TYUPDYLSBHTXKZ-NSHDSACASA-N -1 3 267.369 3.400 20 0 CGADHM Cc1ccc([O-])c(NC(=O)CCCc2cccs2)n1 ZINC000345939194 378414652 /nfs/dbraw/zinc/41/46/52/378414652.db2.gz ZBNQZHKOKVKVPI-UHFFFAOYSA-N -1 3 276.361 3.119 20 0 CGADHM C[C@@H](CC(=O)[N-]OC1CCCC1)c1ccccc1F ZINC000271811168 378505991 /nfs/dbraw/zinc/50/59/91/378505991.db2.gz UHZMMCZRGPJLFD-NSHDSACASA-N -1 3 265.328 3.310 20 0 CGADHM C[C@H]1CC[C@H](NC(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000346368879 378558067 /nfs/dbraw/zinc/55/80/67/378558067.db2.gz WFZWPYLSAJNJSZ-AAEUAGOBSA-N -1 3 279.355 3.159 20 0 CGADHM Cc1cc(C(=O)N2CC[C@@H](c3cccc(F)c3)C2)ccc1[O-] ZINC000272394971 378626663 /nfs/dbraw/zinc/62/66/63/378626663.db2.gz HENMDRZUPJUCEG-OAHLLOKOSA-N -1 3 299.345 3.469 20 0 CGADHM Cc1cc(C(=O)N2CCCC[C@H]2c2cccn2C)ccc1[O-] ZINC000272350537 378618835 /nfs/dbraw/zinc/61/88/35/378618835.db2.gz AWRINWPFDBZLKE-INIZCTEOSA-N -1 3 298.386 3.407 20 0 CGADHM COc1cc(C(=O)NC2(C)CCC(C)CC2)ccc1[O-] ZINC000272637811 378680952 /nfs/dbraw/zinc/68/09/52/378680952.db2.gz WVFDULIFYHBRLD-UHFFFAOYSA-N -1 3 277.364 3.099 20 0 CGADHM Cc1cc(C(=O)Nc2cccnc2OC(C)C)ccc1[O-] ZINC000272478553 378647863 /nfs/dbraw/zinc/64/78/63/378647863.db2.gz QHSURXSFTRQQJI-UHFFFAOYSA-N -1 3 286.331 3.135 20 0 CGADHM CC(C)[C@@H]1C[C@H](CC(=O)Nc2cc(F)ccc2[O-])CCO1 ZINC000272739752 378696820 /nfs/dbraw/zinc/69/68/20/378696820.db2.gz BZTQMUJSAHXHGF-ABAIWWIYSA-N -1 3 295.354 3.311 20 0 CGADHM O=C([N-]OC1CCCC1)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000274303508 378807797 /nfs/dbraw/zinc/80/77/97/378807797.db2.gz OJWIDHTWBCLARS-GHMZBOCLSA-N -1 3 299.292 3.198 20 0 CGADHM CC[C@H](NCc1cnc(C)[n-]c1=O)c1cc(F)ccc1F ZINC000346810597 218023017 /nfs/dbraw/zinc/02/30/17/218023017.db2.gz SAJKABQXLZYYLA-AWEZNQCLSA-N -1 3 293.317 3.010 20 0 CGADHM [O-]C(=NO[C@H]1CCCCO1)Nc1csc2ccccc12 ZINC000274841878 378905456 /nfs/dbraw/zinc/90/54/56/378905456.db2.gz DEEVSUWVNTUVKD-ZDUSSCGKSA-N -1 3 292.360 3.481 20 0 CGADHM O=C([N-]O[C@H]1CCCCO1)Nc1csc2ccccc12 ZINC000274841878 378905459 /nfs/dbraw/zinc/90/54/59/378905459.db2.gz DEEVSUWVNTUVKD-ZDUSSCGKSA-N -1 3 292.360 3.481 20 0 CGADHM CCc1c([N-]C(=O)CO[C@@H](C)CC)onc1C(F)(F)F ZINC000274670766 378872981 /nfs/dbraw/zinc/87/29/81/378872981.db2.gz HIODIZJRRLXQAW-ZETCQYMHSA-N -1 3 294.273 3.009 20 0 CGADHM Cc1ccc([O-])c(CNc2cccc3c2OCCC3)n1 ZINC000370502976 379024055 /nfs/dbraw/zinc/02/40/55/379024055.db2.gz MPUPQJXOTAMEJD-UHFFFAOYSA-N -1 3 270.332 3.033 20 0 CGADHM CC[C@H](C)c1nnc([C@@H](C)NCc2cc([O-])cc(F)c2)[nH]1 ZINC000277446445 379160439 /nfs/dbraw/zinc/16/04/39/379160439.db2.gz OWSMVQMAJFNJAH-VHSXEESVSA-N -1 3 292.358 3.014 20 0 CGADHM CC[C@@H]1CCC[C@H](CNCc2nc(C(=O)[O-])cs2)C1 ZINC000277387046 379146054 /nfs/dbraw/zinc/14/60/54/379146054.db2.gz RBXXUCYKHAJWHV-MNOVXSKESA-N -1 3 282.409 3.147 20 0 CGADHM COc1ccc(OC)c([C@H](C)[N-]c2nnc(C(F)F)o2)c1 ZINC000278771522 194148392 /nfs/dbraw/zinc/14/83/92/194148392.db2.gz USLKXIRNHJQKMR-ZETCQYMHSA-N -1 3 299.277 3.198 20 0 CGADHM COc1nc(C)ccc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000347495684 218256355 /nfs/dbraw/zinc/25/63/55/218256355.db2.gz KWEPAIAEFKIEQW-UHFFFAOYSA-N -1 3 292.722 3.010 20 0 CGADHM [O-]c1cc(F)cc(CN(Cc2ccccn2)C2CC2)c1 ZINC000349276170 379212893 /nfs/dbraw/zinc/21/28/93/379212893.db2.gz ITOUTHNIRLFQST-UHFFFAOYSA-N -1 3 272.323 3.091 20 0 CGADHM Cc1ccccc1[C@@H](NC(=O)c1csc(=O)[n-]1)C(C)C ZINC000349810533 379395125 /nfs/dbraw/zinc/39/51/25/379395125.db2.gz CCNGBECRMZUXQD-ZDUSSCGKSA-N -1 3 290.388 3.284 20 0 CGADHM CCCc1cnc([N-]C(=O)c2nc(Cl)cs2)s1 ZINC000279680500 379488799 /nfs/dbraw/zinc/48/87/99/379488799.db2.gz HMDUVUPUOVRLAZ-UHFFFAOYSA-N -1 3 287.797 3.458 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)SCCC(F)(F)F)n1 ZINC000279858040 379535773 /nfs/dbraw/zinc/53/57/73/379535773.db2.gz FMGIHTQORVRFPC-SSDOTTSWSA-N -1 3 266.288 3.237 20 0 CGADHM CCOc1cc(-c2noc(CCCSC)n2)ccc1[O-] ZINC000350797002 379585957 /nfs/dbraw/zinc/58/59/57/379585957.db2.gz WZJKZKRHXWCBPD-UHFFFAOYSA-N -1 3 294.376 3.137 20 0 CGADHM COc1ccc(OCc2nc(-c3ccc([O-])cc3)no2)cc1 ZINC000350587879 379566861 /nfs/dbraw/zinc/56/68/61/379566861.db2.gz UAOVYZKTTMPIGX-UHFFFAOYSA-N -1 3 298.298 3.030 20 0 CGADHM CCOc1cc(-c2noc([C@@H]3[C@@H](C)C3(F)F)n2)ccc1[O-] ZINC000350581413 379567470 /nfs/dbraw/zinc/56/74/70/379567470.db2.gz QCOZVLULRSVXQL-HQJQHLMTSA-N -1 3 296.273 3.210 20 0 CGADHM [O-]c1ccc(Cl)c(CN2CCC[C@H]2c2cn[nH]c2)c1 ZINC000639775923 379575549 /nfs/dbraw/zinc/57/55/49/379575549.db2.gz HQLYAEPOTBOXFI-AWEZNQCLSA-N -1 3 277.755 3.106 20 0 CGADHM O=C(c1ccccc1[O-])N1Cc2cccc(Cl)c2C1 ZINC000377094385 379632136 /nfs/dbraw/zinc/63/21/36/379632136.db2.gz VBOOTRWWWAMTPN-UHFFFAOYSA-N -1 3 273.719 3.202 20 0 CGADHM CC[C@@H](Oc1ccccc1F)C(=O)[N-]c1onc(C)c1C ZINC000267171365 190308630 /nfs/dbraw/zinc/30/86/30/190308630.db2.gz HSUZEFMTOVLIDE-GFCCVEGCSA-N -1 3 292.310 3.227 20 0 CGADHM CCC(C)(C)OCc1nc(-c2ccc([O-])c(OC)c2)no1 ZINC000351186305 379672997 /nfs/dbraw/zinc/67/29/97/379672997.db2.gz QAAQAMHGUFWZHG-UHFFFAOYSA-N -1 3 292.335 3.156 20 0 CGADHM CSCCON=C([O-])Nc1ccc(OC(C)(C)C)cc1 ZINC000280522899 379723822 /nfs/dbraw/zinc/72/38/22/379723822.db2.gz MUKPVAILTPHSRH-UHFFFAOYSA-N -1 3 298.408 3.280 20 0 CGADHM CSCCO[N-]C(=O)Nc1ccc(OC(C)(C)C)cc1 ZINC000280522899 379723825 /nfs/dbraw/zinc/72/38/25/379723825.db2.gz MUKPVAILTPHSRH-UHFFFAOYSA-N -1 3 298.408 3.280 20 0 CGADHM CCCc1ccccc1NC([O-])=NOCCSC ZINC000280565632 379734056 /nfs/dbraw/zinc/73/40/56/379734056.db2.gz QRMXZWJQYTYJNO-UHFFFAOYSA-N -1 3 268.382 3.055 20 0 CGADHM CCCc1ccccc1NC(=O)[N-]OCCSC ZINC000280565632 379734068 /nfs/dbraw/zinc/73/40/68/379734068.db2.gz QRMXZWJQYTYJNO-UHFFFAOYSA-N -1 3 268.382 3.055 20 0 CGADHM Cc1cc(C(=O)NCc2coc3ccccc23)ccc1[O-] ZINC000352375172 379786531 /nfs/dbraw/zinc/78/65/31/379786531.db2.gz RJOMVACCFHNEGC-UHFFFAOYSA-N -1 3 281.311 3.377 20 0 CGADHM CC[C@@H]1CCc2nc(NC([O-])=NOCC(C)C)sc2C1 ZINC000282177714 379869292 /nfs/dbraw/zinc/86/92/92/379869292.db2.gz RCPLBHBZJMROBK-SNVBAGLBSA-N -1 3 297.424 3.367 20 0 CGADHM CC[C@@H]1CCc2nc(NC(=O)[N-]OCC(C)C)sc2C1 ZINC000282177714 379869297 /nfs/dbraw/zinc/86/92/97/379869297.db2.gz RCPLBHBZJMROBK-SNVBAGLBSA-N -1 3 297.424 3.367 20 0 CGADHM CCO[C@H](CC(=O)N1CCCc2cccc([O-])c21)C(C)C ZINC000352654619 379895269 /nfs/dbraw/zinc/89/52/69/379895269.db2.gz CKAMCAVBZSQONV-OAHLLOKOSA-N -1 3 291.391 3.123 20 0 CGADHM C[C@H]1CCN1C(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000641245541 379978044 /nfs/dbraw/zinc/97/80/44/379978044.db2.gz MINOZPYIZFQBBC-ZDUSSCGKSA-N -1 3 297.354 3.206 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CC[C@@H](C)C[C@H]2C)c(F)c1 ZINC000404891221 379984668 /nfs/dbraw/zinc/98/46/68/379984668.db2.gz YLASEMADTJMWIZ-MPKXVKKWSA-N -1 3 299.411 3.237 20 0 CGADHM Cn1ccnc1SCc1cc([O-])cc(C(F)(F)F)c1 ZINC000641408447 379999776 /nfs/dbraw/zinc/99/97/76/379999776.db2.gz JTGXAZRNAZSEQQ-UHFFFAOYSA-N -1 3 288.294 3.437 20 0 CGADHM C[C@@H]1CCCCN(Cc2c(F)ccc([O-])c2F)C1 ZINC000352945506 380051502 /nfs/dbraw/zinc/05/15/02/380051502.db2.gz JJTTWITXXBYTHE-SNVBAGLBSA-N -1 3 255.308 3.292 20 0 CGADHM O=C(Nc1ccccc1[O-])c1ncoc1-c1ccc(F)cc1 ZINC000352983548 380065553 /nfs/dbraw/zinc/06/55/53/380065553.db2.gz BHCJNEXDMOXZOQ-UHFFFAOYSA-N -1 3 298.273 3.439 20 0 CGADHM Cc1ccc([O-])c(CNc2cc(-n3cccn3)ccc2C)n1 ZINC000353210656 380169373 /nfs/dbraw/zinc/16/93/73/380169373.db2.gz QQJDTJJOEBWWHX-UHFFFAOYSA-N -1 3 294.358 3.202 20 0 CGADHM COC(=O)CC1(NCc2cccc([O-])c2Cl)CCCC1 ZINC000353256647 380192959 /nfs/dbraw/zinc/19/29/59/380192959.db2.gz IGXHBLUVWOEPQE-UHFFFAOYSA-N -1 3 297.782 3.011 20 0 CGADHM Cc1ccc(-c2cc(C(=O)[N-]c3ccnc(C)n3)on2)cc1 ZINC000354276921 380382802 /nfs/dbraw/zinc/38/28/02/380382802.db2.gz XTCZMJYHXRLBCK-UHFFFAOYSA-N -1 3 294.314 3.001 20 0 CGADHM C[C@H]1Cc2ccccc2[C@H]1NCc1ccc(C(=O)[O-])cc1 ZINC000414639320 380349107 /nfs/dbraw/zinc/34/91/07/380349107.db2.gz PTQRCDXTPXJHAM-SJCJKPOMSA-N -1 3 281.355 3.408 20 0 CGADHM Cc1cc(C(=O)NC[C@H]2CCc3ccccc32)ccc1[O-] ZINC000354494187 380458045 /nfs/dbraw/zinc/45/80/45/380458045.db2.gz OEVSPQCEIWGZJL-OAHLLOKOSA-N -1 3 281.355 3.160 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2cnc3onc(C)c3c2)c1 ZINC000354390181 380422421 /nfs/dbraw/zinc/42/24/21/380422421.db2.gz OUZMKLPRDIZZOL-UHFFFAOYSA-N -1 3 297.314 3.052 20 0 CGADHM O=C([O-])CC1(CNCc2sccc2Cl)CCC1 ZINC000417556568 380636628 /nfs/dbraw/zinc/63/66/28/380636628.db2.gz HKKBOCNJLWEANA-UHFFFAOYSA-N -1 3 273.785 3.136 20 0 CGADHM [O-]c1cccnc1CNCc1cc(Cl)ccc1Cl ZINC000355314524 380638240 /nfs/dbraw/zinc/63/82/40/380638240.db2.gz LSHNXEIHWWECKR-UHFFFAOYSA-N -1 3 283.158 3.384 20 0 CGADHM COc1ccc(F)c(CN[C@H](CC(=O)[O-])CC(C)(C)C)c1 ZINC000417578005 380642945 /nfs/dbraw/zinc/64/29/45/380642945.db2.gz KFUGWIOKIFHUKV-GFCCVEGCSA-N -1 3 297.370 3.203 20 0 CGADHM [O-]c1cccc(CNC[C@H](CO)C2CCCCC2)c1Cl ZINC000645202741 380613818 /nfs/dbraw/zinc/61/38/18/380613818.db2.gz XVNANELALUMGEM-CQSZACIVSA-N -1 3 297.826 3.324 20 0 CGADHM O=C([O-])[C@H](NCc1ccc(-c2ccccc2)cc1F)C1CC1 ZINC000417609071 380649843 /nfs/dbraw/zinc/64/98/43/380649843.db2.gz PMDFRQCGPKTSFO-QGZVFWFLSA-N -1 3 299.345 3.446 20 0 CGADHM COc1ccc(CN[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc1 ZINC000417613102 380651883 /nfs/dbraw/zinc/65/18/83/380651883.db2.gz CLOVXDFFPFPKLR-SJORKVTESA-N -1 3 297.354 3.098 20 0 CGADHM C[C@@H](C(=O)[O-])[C@H](C)NCc1c(Cl)cccc1Cl ZINC000417615343 380652254 /nfs/dbraw/zinc/65/22/54/380652254.db2.gz TVJCFPFJANSKNX-SFYZADRCSA-N -1 3 276.163 3.192 20 0 CGADHM O=C([O-])[C@@H]1C=C[C@H](NCc2c(Cl)oc3ccccc32)C1 ZINC000417626908 380656486 /nfs/dbraw/zinc/65/64/86/380656486.db2.gz UEXOWFLTAFNUHG-ZJUUUORDSA-N -1 3 291.734 3.205 20 0 CGADHM Cc1ccccc1OCCCN(C)C(=O)c1cccc([O-])c1 ZINC000357186677 381059862 /nfs/dbraw/zinc/05/98/62/381059862.db2.gz KEHSHXXEAJSEMM-UHFFFAOYSA-N -1 3 299.370 3.242 20 0 CGADHM Cc1ccc(CNC(=O)c2cccc([O-])c2)c(OC(C)C)c1 ZINC000357299094 381097789 /nfs/dbraw/zinc/09/77/89/381097789.db2.gz CCZQJUCSXRVCPR-UHFFFAOYSA-N -1 3 299.370 3.418 20 0 CGADHM C[C@H]1CN(C(=O)Cc2ccc([O-])cc2Cl)C(C)(C)C1 ZINC000357314761 381101940 /nfs/dbraw/zinc/10/19/40/381101940.db2.gz YTYUUHVHFCFAGE-SNVBAGLBSA-N -1 3 281.783 3.235 20 0 CGADHM CN(C(=O)Cc1ccc([O-])cc1Cl)C(C1CC1)C1CC1 ZINC000357333085 381109501 /nfs/dbraw/zinc/10/95/01/381109501.db2.gz GHLKOXAVXBHODH-UHFFFAOYSA-N -1 3 293.794 3.235 20 0 CGADHM CCc1cc(=O)[n-]c(CSCCc2ccccc2)n1 ZINC000357338461 381111416 /nfs/dbraw/zinc/11/14/16/381111416.db2.gz AQQNYSCYVDOJEE-UHFFFAOYSA-N -1 3 274.389 3.221 20 0 CGADHM CC(C)c1ocnc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000732276103 572456909 /nfs/dbraw/zinc/45/69/09/572456909.db2.gz GVTONRVVPRFDNB-UHFFFAOYSA-N -1 3 280.711 3.409 20 0 CGADHM Cc1o[n-]c(=NC(=O)c2ccc(C(C)C)cc2)c1C ZINC000334856320 207193961 /nfs/dbraw/zinc/19/39/61/207193961.db2.gz NVDQICDTLCAGMQ-UHFFFAOYSA-N -1 3 258.321 3.089 20 0 CGADHM C[C@@H]1C[C@@H](NCc2cccc([O-])c2Cl)CS1 ZINC000334855695 207194448 /nfs/dbraw/zinc/19/44/48/207194448.db2.gz ZZUZUCYIZGEDPV-PSASIEDQSA-N -1 3 257.786 3.029 20 0 CGADHM COc1cc(C(=O)N2CC[C@@]3(CC[C@H](C)C3)C2)ccc1[O-] ZINC000334904591 207267720 /nfs/dbraw/zinc/26/77/20/207267720.db2.gz XTIUVOUAFHEYAE-YVEFUNNKSA-N -1 3 289.375 3.053 20 0 CGADHM CC(C)CC(=O)Nc1nnc(-c2cc3ccccc3o2)[n-]1 ZINC000362251467 381921033 /nfs/dbraw/zinc/92/10/33/381921033.db2.gz XAZDAJPBPBMQSV-UHFFFAOYSA-N -1 3 284.319 3.203 20 0 CGADHM CC(C)CC(=O)Nc1nc(-c2cc3ccccc3o2)n[n-]1 ZINC000362251467 381921041 /nfs/dbraw/zinc/92/10/41/381921041.db2.gz XAZDAJPBPBMQSV-UHFFFAOYSA-N -1 3 284.319 3.203 20 0 CGADHM CC(C)CC(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000362251467 381921043 /nfs/dbraw/zinc/92/10/43/381921043.db2.gz XAZDAJPBPBMQSV-UHFFFAOYSA-N -1 3 284.319 3.203 20 0 CGADHM Cc1ncsc1CO[N-]C(=O)CCC1CCCCC1 ZINC000289416871 197337106 /nfs/dbraw/zinc/33/71/06/197337106.db2.gz QAQCPMVGYRYKJB-UHFFFAOYSA-N -1 3 282.409 3.360 20 0 CGADHM O=C([O-])c1ccc(CN[C@H](c2cccnc2)C2CC2)cc1 ZINC000263443043 304244183 /nfs/dbraw/zinc/24/41/83/304244183.db2.gz XCEUNLIYZNVVJZ-INIZCTEOSA-N -1 3 282.343 3.021 20 0 CGADHM CC(C)(C)Cc1nnc(NCc2c(F)ccc([O-])c2F)o1 ZINC000281055805 195085680 /nfs/dbraw/zinc/08/56/80/195085680.db2.gz RGLNZYGWCDWMCG-UHFFFAOYSA-N -1 3 297.305 3.254 20 0 CGADHM [O-]c1cccc(CN2CCC[C@H](c3ncc[nH]3)C2)c1Cl ZINC000335403924 208380787 /nfs/dbraw/zinc/38/07/87/208380787.db2.gz GPBUCULRRLJUSJ-LBPRGKRZSA-N -1 3 291.782 3.148 20 0 CGADHM CO[C@H](C)CN(C(=O)c1ccc(C(C)C)cc1[O-])C(C)C ZINC000436560675 533075818 /nfs/dbraw/zinc/07/58/18/533075818.db2.gz GJJHXZUTVSKXMR-CYBMUJFWSA-N -1 3 293.407 3.401 20 0 CGADHM CCN(CC1CC1)C(=O)c1cc([O-])c2ccccc2c1 ZINC000280976452 542383010 /nfs/dbraw/zinc/38/30/10/542383010.db2.gz RYFDSVMMTHFVBW-UHFFFAOYSA-N -1 3 269.344 3.418 20 0 CGADHM CO[C@@H]1CCN(C(=O)c2cc([O-])c3ccccc3c2)[C@H](C)C1 ZINC000281876256 542384935 /nfs/dbraw/zinc/38/49/35/542384935.db2.gz WWNHKUVUIMBAMB-IUODEOHRSA-N -1 3 299.370 3.185 20 0 CGADHM [O-]c1ccc(Cc2nc([C@@H]3CCCS3)no2)cc1F ZINC000334666769 542459313 /nfs/dbraw/zinc/45/93/13/542459313.db2.gz ICMOSMHHCLPKEV-NSHDSACASA-N -1 3 280.324 3.073 20 0 CGADHM COc1ccc(NC(=O)[C@@]2(C)CC=CCC2)c([O-])c1 ZINC000335235512 542466103 /nfs/dbraw/zinc/46/61/03/542466103.db2.gz AXHFQVIHJXYYAR-HNNXBMFYSA-N -1 3 261.321 3.086 20 0 CGADHM CN(Cc1cccnc1)C(=O)c1cc([O-])c2ccccc2c1 ZINC000351558743 542551090 /nfs/dbraw/zinc/55/10/90/542551090.db2.gz SNDFEKXXPIUVSS-UHFFFAOYSA-N -1 3 292.338 3.213 20 0 CGADHM CC[C@@H](NC(=O)c1cc([O-])c2ccccc2c1)[C@@H]1CCCO1 ZINC000355266481 542566156 /nfs/dbraw/zinc/56/61/56/542566156.db2.gz NGTKVIPJRSJKIO-WBVHZDCISA-N -1 3 299.370 3.233 20 0 CGADHM O=C([N-]c1nc2c(s1)CCCC2)c1cc(C2CC2)no1 ZINC000281509079 195269336 /nfs/dbraw/zinc/26/93/36/195269336.db2.gz SLZIQVRHQUEXLF-UHFFFAOYSA-N -1 3 289.360 3.140 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)SCCC(=O)OC(C)(C)C)n1 ZINC000281533114 195278135 /nfs/dbraw/zinc/27/81/35/195278135.db2.gz AMCUFZUXABIKOG-JTQLQIEISA-N -1 3 298.408 3.017 20 0 CGADHM C[C@@H](NC(=O)c1ccc(O)cc1[O-])c1cccc(Cl)c1 ZINC000192719820 533291246 /nfs/dbraw/zinc/29/12/46/533291246.db2.gz GVDKSABOKSZQBL-SECBINFHSA-N -1 3 291.734 3.242 20 0 CGADHM COc1cccc(C[C@@H](C)NC(=O)c2cc(C)ccc2[O-])c1 ZINC000436550256 533537307 /nfs/dbraw/zinc/53/73/07/533537307.db2.gz SAPRGGCLJRILPW-CYBMUJFWSA-N -1 3 299.370 3.070 20 0 CGADHM Cc1ccc(C(=O)Nc2ccc3c[nH]nc3c2)c([O-])c1C ZINC000436755231 533612579 /nfs/dbraw/zinc/61/25/79/533612579.db2.gz LYROTDQRCDOAQN-UHFFFAOYSA-N -1 3 281.315 3.138 20 0 CGADHM COc1cc(C)cc(C(=O)Nc2ccc3c(c2)CCC3)c1[O-] ZINC000436789335 533624451 /nfs/dbraw/zinc/62/44/51/533624451.db2.gz KOLRQSVGRHYJLD-UHFFFAOYSA-N -1 3 297.354 3.450 20 0 CGADHM Cc1ccc(C(C)(C)NC(=O)c2cccc(C)c2[O-])cn1 ZINC000436923932 533633188 /nfs/dbraw/zinc/63/31/88/533633188.db2.gz VPNYMYUIJSYGRR-UHFFFAOYSA-N -1 3 284.359 3.069 20 0 CGADHM COc1ccc(CNCCCCCC(=O)[O-])c(Cl)c1 ZINC000426688911 533660176 /nfs/dbraw/zinc/66/01/76/533660176.db2.gz SKGSOLIDDGAPPM-UHFFFAOYSA-N -1 3 285.771 3.083 20 0 CGADHM C[C@@H](c1ccc(C(=O)[O-])o1)N(C)CCC(C)(C)C ZINC000399688246 542621133 /nfs/dbraw/zinc/62/11/33/542621133.db2.gz FGNRCJCMVGXKJU-JTQLQIEISA-N -1 3 253.342 3.407 20 0 CGADHM O=C(N[C@H]1CC=CCC1)c1cc([O-])ccc1C(F)(F)F ZINC000192219155 130396382 /nfs/dbraw/zinc/39/63/82/130396382.db2.gz KSYJECPRSSFFPJ-VIFPVBQESA-N -1 3 285.265 3.250 20 0 CGADHM CCN(Cc1cccs1)C(=O)c1cc(OC)ccc1[O-] ZINC000048176362 391994427 /nfs/dbraw/zinc/99/44/27/391994427.db2.gz HDMGJMWWFNEBLI-UHFFFAOYSA-N -1 3 291.372 3.125 20 0 CGADHM CCOc1cccc(NC(=O)c2cccc(OC)c2[O-])c1 ZINC000048442467 392000165 /nfs/dbraw/zinc/00/01/65/392000165.db2.gz WYVISRSUOOYMCZ-UHFFFAOYSA-N -1 3 287.315 3.052 20 0 CGADHM CC(C)CCO[C@@H](C)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000049289429 392042897 /nfs/dbraw/zinc/04/28/97/392042897.db2.gz DXZGHUDIGJZPPN-JTQLQIEISA-N -1 3 285.771 3.435 20 0 CGADHM Cc1ccc(C(=O)Nc2cc(F)cc(F)c2F)c([O-])c1 ZINC000061120384 392125741 /nfs/dbraw/zinc/12/57/41/392125741.db2.gz KWSRMFOGQZNIGQ-UHFFFAOYSA-N -1 3 281.233 3.370 20 0 CGADHM Cc1ccsc1C(=O)N1CCCc2cccc([O-])c21 ZINC000063063818 392134466 /nfs/dbraw/zinc/13/44/66/392134466.db2.gz DNQKYIVITZXWRG-UHFFFAOYSA-N -1 3 273.357 3.355 20 0 CGADHM O=C([O-])c1cccc(CCNCc2ccsc2Cl)c1 ZINC000426713715 542650201 /nfs/dbraw/zinc/65/02/01/542650201.db2.gz JKBNTMLFDNDTBN-UHFFFAOYSA-N -1 3 295.791 3.432 20 0 CGADHM COc1ccc(NC(=O)[C@H](C)c2cccc(C)c2)c([O-])c1 ZINC000443567268 542666465 /nfs/dbraw/zinc/66/64/65/542666465.db2.gz OWJHAGLAQGWQPL-GFCCVEGCSA-N -1 3 285.343 3.451 20 0 CGADHM COc1ccc(NC(=O)CCc2ccc(F)cc2)c([O-])c1 ZINC000443555085 542667317 /nfs/dbraw/zinc/66/73/17/542667317.db2.gz BFWQHEIHTNISLV-UHFFFAOYSA-N -1 3 289.306 3.111 20 0 CGADHM Cc1ccc(NC([O-])=NOC/C=C/Cl)cc1C ZINC000289910735 392436531 /nfs/dbraw/zinc/43/65/31/392436531.db2.gz OAIZBLOTKYWHDW-ZZXKWVIFSA-N -1 3 254.717 3.109 20 0 CGADHM Cc1ccc(NC(=O)[N-]OC/C=C/Cl)cc1C ZINC000289910735 392436535 /nfs/dbraw/zinc/43/65/35/392436535.db2.gz OAIZBLOTKYWHDW-ZZXKWVIFSA-N -1 3 254.717 3.109 20 0 CGADHM CCc1nnc([N-]C(=O)c2sccc2SC)s1 ZINC000264347309 131436396 /nfs/dbraw/zinc/43/63/96/131436396.db2.gz GHKFVVUNQJAULN-UHFFFAOYSA-N -1 3 285.419 3.136 20 0 CGADHM CCCc1nnc(NC(=O)c2ccc([O-])c(CC)c2)s1 ZINC000291533120 392463431 /nfs/dbraw/zinc/46/34/31/392463431.db2.gz UDZBHOGUUCURGY-UHFFFAOYSA-N -1 3 291.376 3.011 20 0 CGADHM CC1(C)CCC(C(=O)Nc2nnc(-c3ccccn3)[n-]2)CC1 ZINC000120325922 392400012 /nfs/dbraw/zinc/40/00/12/392400012.db2.gz PHIQJMPAYBINGF-UHFFFAOYSA-N -1 3 299.378 3.022 20 0 CGADHM CC1(C)CCC(C(=O)Nc2nc(-c3ccccn3)n[n-]2)CC1 ZINC000120325922 392400014 /nfs/dbraw/zinc/40/00/14/392400014.db2.gz PHIQJMPAYBINGF-UHFFFAOYSA-N -1 3 299.378 3.022 20 0 CGADHM CC1(C)CCC(C(=O)Nc2n[n-]c(-c3ccccn3)n2)CC1 ZINC000120325922 392400018 /nfs/dbraw/zinc/40/00/18/392400018.db2.gz PHIQJMPAYBINGF-UHFFFAOYSA-N -1 3 299.378 3.022 20 0 CGADHM CCOc1ccc(NC(=O)[N-]OC[C@H](C)CC)cc1 ZINC000291679758 392477553 /nfs/dbraw/zinc/47/75/53/392477553.db2.gz CDPREFQICWDXSN-LLVKDONJSA-N -1 3 266.341 3.185 20 0 CGADHM O=C(/C=C/c1cncc([O-])c1)N1CCCC12CCCCC2 ZINC000371641425 392542745 /nfs/dbraw/zinc/54/27/45/392542745.db2.gz GCBPOLBJMFQMSB-AATRIKPKSA-N -1 3 286.375 3.126 20 0 CGADHM Cc1ccc(Cl)c(NC(=O)c2ccc3n[n-]nc3c2)c1 ZINC000162237433 392592594 /nfs/dbraw/zinc/59/25/94/392592594.db2.gz VHOSXGNAQGKXOZ-UHFFFAOYSA-N -1 3 286.722 3.172 20 0 CGADHM O=C(NCc1cccc2ccccc21)c1c([O-])cccc1O ZINC000317860664 392669021 /nfs/dbraw/zinc/66/90/21/392669021.db2.gz VBBHEIAWPOBJGG-UHFFFAOYSA-N -1 3 293.322 3.181 20 0 CGADHM [O-]c1ccc(F)c(CNCCCOC2CCCCC2)c1F ZINC000509689808 392768399 /nfs/dbraw/zinc/76/83/99/392768399.db2.gz YHQYBQLCAYYZCY-UHFFFAOYSA-N -1 3 299.361 3.499 20 0 CGADHM O=C(/C=C/c1cncc([O-])c1)Nc1cccc(Cl)c1 ZINC000179381722 392699833 /nfs/dbraw/zinc/69/98/33/392699833.db2.gz VBBHYIPNARHLGQ-SNAWJCMRSA-N -1 3 274.707 3.093 20 0 CGADHM CCO[N-]C(=O)Nc1cc(-c2cncc(F)c2)ccc1C ZINC000374793831 392702903 /nfs/dbraw/zinc/70/29/03/392702903.db2.gz MZFQZFQFLOXWTH-UHFFFAOYSA-N -1 3 289.310 3.269 20 0 CGADHM CCC(C)(C)OCC(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000457656612 392721398 /nfs/dbraw/zinc/72/13/98/392721398.db2.gz CSHXLMHAFIEMAK-UHFFFAOYSA-N -1 3 285.771 3.498 20 0 CGADHM CC(C)c1ccc(C(=O)N2CC[C@@H]2C(F)(F)F)c([O-])c1 ZINC000647752666 392793168 /nfs/dbraw/zinc/79/31/68/392793168.db2.gz BTSBLGWETRZOED-GFCCVEGCSA-N -1 3 287.281 3.292 20 0 CGADHM CC(C)c1ccc(C(=O)N2CC[C@H]2C(F)(F)F)c([O-])c1 ZINC000647752667 392793248 /nfs/dbraw/zinc/79/32/48/392793248.db2.gz BTSBLGWETRZOED-LBPRGKRZSA-N -1 3 287.281 3.292 20 0 CGADHM Cc1onc(-c2cccnc2)c1C(=O)Nc1ccccc1[O-] ZINC000375639424 392798163 /nfs/dbraw/zinc/79/81/63/392798163.db2.gz BMBXGCHYJNMWSJ-UHFFFAOYSA-N -1 3 295.298 3.003 20 0 CGADHM CN(Cc1cc(C(=O)[O-])ccc1Cl)C1CCC1 ZINC000520239912 392913961 /nfs/dbraw/zinc/91/39/61/392913961.db2.gz CBLVRBFRMOBRFL-UHFFFAOYSA-N -1 3 253.729 3.023 20 0 CGADHM O=C(Nc1ccc2cc[nH]c2c1)c1cccc([O-])c1 ZINC000194858698 392941407 /nfs/dbraw/zinc/94/14/07/392941407.db2.gz SWYHQWDLBYXQTQ-UHFFFAOYSA-N -1 3 252.273 3.126 20 0 CGADHM C[C@@H]1CCC[C@@H]1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000504332286 542726452 /nfs/dbraw/zinc/72/64/52/542726452.db2.gz PWEJYSPYJPSUHI-ABAIWWIYSA-N -1 3 269.344 3.464 20 0 CGADHM Cc1cnc(CNC(=O)c2cc([O-])c3ccccc3c2)s1 ZINC000526926860 542741765 /nfs/dbraw/zinc/74/17/65/542741765.db2.gz HGXUQYXUPWTZTG-UHFFFAOYSA-N -1 3 298.367 3.240 20 0 CGADHM Cc1ncccc1NC(=O)c1cc([O-])ccc1Cl ZINC000235801875 393028474 /nfs/dbraw/zinc/02/84/74/393028474.db2.gz PDYLNZUMWMMXOI-UHFFFAOYSA-N -1 3 262.696 3.001 20 0 CGADHM Cc1cc(Cl)cc(C(=O)Nc2nc(C)ccc2[O-])c1 ZINC000345931869 393073617 /nfs/dbraw/zinc/07/36/17/393073617.db2.gz ROIRLZFOUGICQQ-UHFFFAOYSA-N -1 3 276.723 3.310 20 0 CGADHM [O-]c1cc(F)cc(CN[C@H]2CCc3ccc(F)cc32)c1 ZINC000547435908 393116140 /nfs/dbraw/zinc/11/61/40/393116140.db2.gz MVUCFQQONOJYPK-INIZCTEOSA-N -1 3 275.298 3.448 20 0 CGADHM C[C@H]1CC[C@H](NC(=O)c2cc(=O)c3ccccc3[n-]2)CC1 ZINC000264508232 393160351 /nfs/dbraw/zinc/16/03/51/393160351.db2.gz WZLNPMBEHIKLRB-HAQNSBGRSA-N -1 3 284.359 3.249 20 0 CGADHM CC(C)(C)c1nc(C=Cc2cnn3ccccc23)cc(=O)[n-]1 ZINC000470254748 393234628 /nfs/dbraw/zinc/23/46/28/393234628.db2.gz MHFHTESIOMSLCU-BQYQJAHWSA-N -1 3 294.358 3.298 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CCCC[C@H]2C2CCC2)c1 ZINC000648705531 393213710 /nfs/dbraw/zinc/21/37/10/393213710.db2.gz KBCDKYUPBZLGLZ-HNNXBMFYSA-N -1 3 273.376 3.495 20 0 CGADHM C[C@@H]1C[C@H](C(=O)N2CC[C@@H](C)c3cccc([O-])c32)CCO1 ZINC000274356718 393285582 /nfs/dbraw/zinc/28/55/82/393285582.db2.gz JXHRXPSUJFYODW-JHJVBQTASA-N -1 3 289.375 3.048 20 0 CGADHM CCCN(Cc1ccc(F)cc1)C(=O)c1csc(=O)[n-]1 ZINC000471704320 393294258 /nfs/dbraw/zinc/29/42/58/393294258.db2.gz CHSSOJTYWSFZPO-UHFFFAOYSA-N -1 3 294.351 3.040 20 0 CGADHM CCc1cc(C(=O)NC[C@H]2C[C@@H]2c2ccccc2)ccc1[O-] ZINC000648983603 393309195 /nfs/dbraw/zinc/30/91/95/393309195.db2.gz AUXVDXICTLOLET-IAGOWNOFSA-N -1 3 295.382 3.488 20 0 CGADHM Cc1cc(C(=O)NC[C@H]2C[C@@H]2c2ccccc2)ccc1[O-] ZINC000648983713 393309235 /nfs/dbraw/zinc/30/92/35/393309235.db2.gz IKQMKUQXESELLW-HZPDHXFCSA-N -1 3 281.355 3.234 20 0 CGADHM Cc1ccc(CNC(=O)c2ccc(C(C)C)cc2[O-])nc1 ZINC000649025624 393324736 /nfs/dbraw/zinc/32/47/36/393324736.db2.gz CKUJYJDMPRGUDW-UHFFFAOYSA-N -1 3 284.359 3.149 20 0 CGADHM Cc1nc(C(C)C)oc1CNC(=O)c1cccc(C)c1[O-] ZINC000646364064 393269437 /nfs/dbraw/zinc/26/94/37/393269437.db2.gz JFZPYTUOUFTANC-UHFFFAOYSA-N -1 3 288.347 3.050 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])[C@H]1CCCC(F)(F)C1 ZINC000281899189 393367641 /nfs/dbraw/zinc/36/76/41/393367641.db2.gz ABHWDSWUMFJVLV-QMMMGPOBSA-N -1 3 273.254 3.295 20 0 CGADHM Cc1cc(C(=O)N2CCCC[C@@H]2C2CCC2)ccc1[O-] ZINC000649196542 393369981 /nfs/dbraw/zinc/36/99/81/393369981.db2.gz OWFZUPGIYKIVDZ-OAHLLOKOSA-N -1 3 273.376 3.495 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)c1occc1C(C)C ZINC000649229005 393376564 /nfs/dbraw/zinc/37/65/64/393376564.db2.gz IVMIFQZYUPQPQC-UHFFFAOYSA-N -1 3 275.352 3.232 20 0 CGADHM CCC[C@@H]1CCC[C@H]1C(=O)N=c1[nH][n-]c(C(C)C)c1C ZINC000649229045 393376776 /nfs/dbraw/zinc/37/67/76/393376776.db2.gz KPQVILZYCRWXKN-CHWSQXEVSA-N -1 3 277.412 3.418 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@@H]1CC2CCC1CC2 ZINC000649229103 393377873 /nfs/dbraw/zinc/37/78/73/393377873.db2.gz MTYZNAJMHKFPHN-WXRRBKDZSA-N -1 3 275.396 3.028 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)c1ccoc1C(C)C ZINC000649229556 393378025 /nfs/dbraw/zinc/37/80/25/393378025.db2.gz DCBBBAPKFGRQGX-UHFFFAOYSA-N -1 3 275.352 3.232 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)c1cc(F)c(C)cc1F ZINC000649230950 393379415 /nfs/dbraw/zinc/37/94/15/393379415.db2.gz BCZKZXJSMDSZGW-UHFFFAOYSA-N -1 3 293.317 3.102 20 0 CGADHM Cc1nc2ccccc2c(N2CC[C@H](C(=O)[O-])[C@@H](C)C2)c1C ZINC000649404265 393413265 /nfs/dbraw/zinc/41/32/65/393413265.db2.gz FJZGYNSIIYAQNO-FZMZJTMJSA-N -1 3 298.386 3.399 20 0 CGADHM CC[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1[O-])[C@@H](C)O ZINC000420132722 393430663 /nfs/dbraw/zinc/43/06/63/393430663.db2.gz ZHPIUBOWYXUBKR-PWSUYJOCSA-N -1 3 279.380 3.035 20 0 CGADHM O=c1cc(CSCCOCC2CCC2)nc(C2CC2)[n-]1 ZINC000419593087 393409516 /nfs/dbraw/zinc/40/95/16/393409516.db2.gz WTBIYWQANVYRJC-UHFFFAOYSA-N -1 3 294.420 3.110 20 0 CGADHM COCCC1(c2noc(-c3cc(C)ccc3[O-])n2)CCC1 ZINC000420512732 393493620 /nfs/dbraw/zinc/49/36/20/393493620.db2.gz GKJSOZZZCSAWGV-UHFFFAOYSA-N -1 3 288.347 3.209 20 0 CGADHM CC[C@H]1CCN1Cc1cc([O-])ccc1Br ZINC000430193320 393536560 /nfs/dbraw/zinc/53/65/60/393536560.db2.gz RETILSUCTFTVMM-JTQLQIEISA-N -1 3 270.170 3.139 20 0 CGADHM Cc1ccc(C)c(CN(C)C(=O)c2cccc([O-])c2)c1 ZINC000430198266 393537929 /nfs/dbraw/zinc/53/79/29/393537929.db2.gz QRXYSZBWINHMCZ-UHFFFAOYSA-N -1 3 269.344 3.281 20 0 CGADHM CC[C@H](N[C@H](C)c1nc(C)cc(=O)[n-]1)c1ccccc1F ZINC000649740495 393568935 /nfs/dbraw/zinc/56/89/35/393568935.db2.gz AQIVXQKPAIOGLL-RISCZKNCSA-N -1 3 289.354 3.432 20 0 CGADHM CC[C@@H](c1ccc(F)cc1F)N(C)CCCC(=O)[O-] ZINC000430650896 393583795 /nfs/dbraw/zinc/58/37/95/393583795.db2.gz FBYMSRWEGJIJGW-ZDUSSCGKSA-N -1 3 271.307 3.213 20 0 CGADHM COC(=O)c1cnc(SC[C@H]2CCC[C@H](C)C2)[n-]1 ZINC000432667284 393626175 /nfs/dbraw/zinc/62/61/75/393626175.db2.gz LQOUPVLORZRBJR-UWVGGRQHSA-N -1 3 268.382 3.115 20 0 CGADHM COc1cccc(/C=C/C(=O)Nc2c(C)cccc2[O-])c1 ZINC000492440694 393734970 /nfs/dbraw/zinc/73/49/70/393734970.db2.gz MQGQVMBAYNSMCQ-MDZDMXLPSA-N -1 3 283.327 3.361 20 0 CGADHM O=C(/C=C/c1ccsc1)Nc1ccc([O-])cc1F ZINC000492494080 393744095 /nfs/dbraw/zinc/74/40/95/393744095.db2.gz YGXGCNUSGINNEQ-DAFODLJHSA-N -1 3 263.293 3.245 20 0 CGADHM Cc1cc(C(=O)NCC2(c3ccc(F)cc3)CC2)ccc1[O-] ZINC000498508248 393782864 /nfs/dbraw/zinc/78/28/64/393782864.db2.gz FXZOKKNZMROGON-UHFFFAOYSA-N -1 3 299.345 3.301 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2ccc(F)cc2)c1 ZINC000500710566 393836148 /nfs/dbraw/zinc/83/61/48/393836148.db2.gz MJDSVKQEEPRRPG-UHFFFAOYSA-N -1 3 259.280 3.346 20 0 CGADHM Cc1cc(C(=O)NCc2c(F)cccc2Cl)ccc1[O-] ZINC000499595688 393801254 /nfs/dbraw/zinc/80/12/54/393801254.db2.gz UUDYFZXZKDKTOD-UHFFFAOYSA-N -1 3 293.725 3.423 20 0 CGADHM Cc1cc(C(=O)Nc2cccc(OCCF)c2)ccc1[O-] ZINC000500109429 393817301 /nfs/dbraw/zinc/81/73/01/393817301.db2.gz MMRPCIRNGYCZIV-UHFFFAOYSA-N -1 3 289.306 3.301 20 0 CGADHM CCc1ccc([O-])c(C(=O)NCCc2ccc(F)cc2)c1 ZINC000500418994 393827775 /nfs/dbraw/zinc/82/77/75/393827775.db2.gz IGCYSNMRPHNYBY-UHFFFAOYSA-N -1 3 287.334 3.066 20 0 CGADHM C[C@H](NC(=O)Cc1ccc([O-])c(F)c1)C1CCCCC1 ZINC000449933009 393946915 /nfs/dbraw/zinc/94/69/15/393946915.db2.gz YGIJOVHMFWUZEZ-NSHDSACASA-N -1 3 279.355 3.159 20 0 CGADHM C[C@@H](NC(=O)Cc1ccc([O-])c(F)c1)C1CCCCC1 ZINC000449933008 393947065 /nfs/dbraw/zinc/94/70/65/393947065.db2.gz YGIJOVHMFWUZEZ-LLVKDONJSA-N -1 3 279.355 3.159 20 0 CGADHM CC(C)(C)C(=O)CCCC(=O)Nc1ccc([O-])cc1F ZINC000450518505 394009870 /nfs/dbraw/zinc/00/98/70/394009870.db2.gz PTZSYLCZWJWBBK-UHFFFAOYSA-N -1 3 281.327 3.255 20 0 CGADHM Cc1ccc(C(=O)N2CCN(C)c3ccccc32)c([O-])c1C ZINC000436559289 292056092 /nfs/dbraw/zinc/05/60/92/292056092.db2.gz UMUJBUZRRRWMSI-UHFFFAOYSA-N -1 3 296.370 3.106 20 0 CGADHM COc1ccc(C(=O)Nc2cc(F)ccc2[O-])c(Cl)c1 ZINC000674015969 543263483 /nfs/dbraw/zinc/26/34/83/543263483.db2.gz ZNNRVRGVOKNKDY-UHFFFAOYSA-N -1 3 295.697 3.446 20 0 CGADHM Cc1ccc(NC(=O)[C@H]2CCN(C)c3ccccc32)c([O-])c1 ZINC000676829801 543420678 /nfs/dbraw/zinc/42/06/78/543420678.db2.gz UVGWSFDZWTWYKW-AWEZNQCLSA-N -1 3 296.370 3.263 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2C[C@@H](C)Oc3ccccc32)c1 ZINC000436542103 292163288 /nfs/dbraw/zinc/16/32/88/292163288.db2.gz CYVMXQQBNXBMMH-GFCCVEGCSA-N -1 3 283.327 3.128 20 0 CGADHM O=c1nc(CC(F)(F)F)[n-]c2sc3c(c21)CCCC3 ZINC000334897883 296593733 /nfs/dbraw/zinc/59/37/33/296593733.db2.gz KISXNSFHOAHWLE-UHFFFAOYSA-N -1 3 288.294 3.381 20 0 CGADHM Cc1ccc(-c2csc([N-]C(=O)c3cnco3)n2)cc1 ZINC000677546039 543454609 /nfs/dbraw/zinc/45/46/09/543454609.db2.gz UNQDLTRCZKXZIZ-UHFFFAOYSA-N -1 3 285.328 3.359 20 0 CGADHM O=C([N-]c1cc(-c2ccccc2)ns1)c1cnco1 ZINC000677645113 543457634 /nfs/dbraw/zinc/45/76/34/543457634.db2.gz ZTFSGCIZPWHOIE-UHFFFAOYSA-N -1 3 271.301 3.050 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CC[C@@H]2c2cccc(F)c2)c1 ZINC000678313681 543514388 /nfs/dbraw/zinc/51/43/88/543514388.db2.gz BYUBMEFBAGIJOK-OAHLLOKOSA-N -1 3 285.318 3.427 20 0 CGADHM CCc1ccc([O-])c(C(=O)N[C@@H](C)c2cnccc2C)c1 ZINC000678413219 543521237 /nfs/dbraw/zinc/52/12/37/543521237.db2.gz FANZSYUFZXGVHP-LBPRGKRZSA-N -1 3 284.359 3.149 20 0 CGADHM COc1ccc(C(=O)N2CC(C)(C)[C@H]3CCC[C@@H]32)c([O-])c1 ZINC000294728442 286271992 /nfs/dbraw/zinc/27/19/92/286271992.db2.gz LLVVYVDHNHZHLY-KBPBESRZSA-N -1 3 289.375 3.052 20 0 CGADHM Cc1ccc2[n-]cc(C(=O)N3CCCC[C@H]3C)c(=O)c2c1 ZINC000273313702 292394238 /nfs/dbraw/zinc/39/42/38/292394238.db2.gz XJHDKDWMACAAHX-GFCCVEGCSA-N -1 3 284.359 3.263 20 0 CGADHM C[C@@H](c1cccs1)N(C)C(=O)c1ccccc1[O-] ZINC000042226837 286892923 /nfs/dbraw/zinc/89/29/23/286892923.db2.gz YFGNPMDSLMYVDY-JTQLQIEISA-N -1 3 261.346 3.287 20 0 CGADHM C[C@@H]1CCC[C@@H](C)N(C(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000074375399 287012461 /nfs/dbraw/zinc/01/24/61/287012461.db2.gz GYCACKYIDDEATQ-VXGBXAGGSA-N -1 3 294.370 3.251 20 0 CGADHM Cc1ccc(CN(C)C(=O)c2ccc(C)cc2[O-])s1 ZINC000076175295 287032315 /nfs/dbraw/zinc/03/23/15/287032315.db2.gz RQEMGQWNMOJAEU-UHFFFAOYSA-N -1 3 275.373 3.343 20 0 CGADHM COc1cccc(C(=O)NC2CCC(C)(C)CC2)c1[O-] ZINC000079679822 287060039 /nfs/dbraw/zinc/06/00/39/287060039.db2.gz RIJVTPQVFTUQEX-UHFFFAOYSA-N -1 3 277.364 3.099 20 0 CGADHM Cc1ccc(C[C@H](C)NC(=O)c2ccccc2[O-])s1 ZINC000080247488 287064241 /nfs/dbraw/zinc/06/42/41/287064241.db2.gz QQTQVFBXZKMUGS-JTQLQIEISA-N -1 3 275.373 3.123 20 0 CGADHM O=C(COc1ccccc1F)Nc1cc(Cl)ccc1[O-] ZINC000069693094 165053127 /nfs/dbraw/zinc/05/31/27/165053127.db2.gz ONFGXUQKFOAXHD-UHFFFAOYSA-N -1 3 295.697 3.202 20 0 CGADHM O=C(Nc1ccccc1[O-])c1c(F)cccc1Cl ZINC000075283635 165097862 /nfs/dbraw/zinc/09/78/62/165097862.db2.gz YHRIHVYZEIBDAA-UHFFFAOYSA-N -1 3 265.671 3.437 20 0 CGADHM CCc1ccc([O-])c(C(=O)N[C@@H](C)c2ncc(C)s2)c1 ZINC000078244732 165129639 /nfs/dbraw/zinc/12/96/39/165129639.db2.gz VEIFGEYVYVHLHH-JTQLQIEISA-N -1 3 290.388 3.211 20 0 CGADHM CSc1ccccc1CC(=O)Nc1ccccc1[O-] ZINC000082265920 165168530 /nfs/dbraw/zinc/16/85/30/165168530.db2.gz SFPWZXGAVKNBDY-UHFFFAOYSA-N -1 3 273.357 3.295 20 0 CGADHM C[C@@H](CN(C)Cc1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000087761507 165189899 /nfs/dbraw/zinc/18/98/99/165189899.db2.gz WZJBSUHQQXKALB-QMMMGPOBSA-N -1 3 276.163 3.146 20 0 CGADHM CCOc1cc(C)ccc1NCc1nc(C)ccc1[O-] ZINC000091994698 165279018 /nfs/dbraw/zinc/27/90/18/165279018.db2.gz GFGNZUCONLUGGW-UHFFFAOYSA-N -1 3 272.348 3.415 20 0 CGADHM CCc1ccc([O-])c(C(=O)N(C)[C@H](C)c2ccco2)c1 ZINC000093939825 165342506 /nfs/dbraw/zinc/34/25/06/165342506.db2.gz TVPHJTLDXNRKMS-LLVKDONJSA-N -1 3 273.332 3.381 20 0 CGADHM COc1ccc([O-])c(-c2nc(Cc3ccccc3)no2)c1 ZINC000109037005 287127257 /nfs/dbraw/zinc/12/72/57/287127257.db2.gz DUODDPWMPGYJMR-UHFFFAOYSA-N -1 3 282.299 3.042 20 0 CGADHM CCCC[C@@H]1CCC[C@H]1NC(=O)c1ccc2n[n-]nc2c1 ZINC000110729234 287131856 /nfs/dbraw/zinc/13/18/56/287131856.db2.gz PJKYNPWLOFMGHA-DGCLKSJQSA-N -1 3 286.379 3.047 20 0 CGADHM COc1ccccc1-c1noc(-c2cccc(C)c2[O-])n1 ZINC000109037272 287127673 /nfs/dbraw/zinc/12/76/73/287127673.db2.gz WKZKWXZOXKXRIX-UHFFFAOYSA-N -1 3 282.299 3.426 20 0 CGADHM CCS[C@@H]1CCCCN(C(=O)c2cccc(C)c2[O-])C1 ZINC000112037876 287137829 /nfs/dbraw/zinc/13/78/29/287137829.db2.gz WBROCKRHFMHZNH-CYBMUJFWSA-N -1 3 293.432 3.448 20 0 CGADHM Cc1cccc(C(=O)N2CC[C@@H](C)C[C@H](C)C2)c1[O-] ZINC000119355095 287168542 /nfs/dbraw/zinc/16/85/42/287168542.db2.gz QWENDZRKBMNXTK-NEPJUHHUSA-N -1 3 261.365 3.209 20 0 CGADHM CC(C)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000007374307 170279945 /nfs/dbraw/zinc/27/99/45/170279945.db2.gz KOTFWPOZIBYFTR-UHFFFAOYSA-N -1 3 296.219 3.318 20 0 CGADHM Cc1cccc(C(=O)N2CC[C@@H](Cc3ccccc3)C2)c1[O-] ZINC000125829454 287251647 /nfs/dbraw/zinc/25/16/47/287251647.db2.gz XERBHZVWBZFCMV-INIZCTEOSA-N -1 3 295.382 3.405 20 0 CGADHM Cc1ccc(NC(=O)c2cccc(C)c2[O-])c(F)c1 ZINC000020363071 171162385 /nfs/dbraw/zinc/16/23/85/171162385.db2.gz XTYLJPHLJWGZQX-UHFFFAOYSA-N -1 3 259.280 3.400 20 0 CGADHM CC(C)(C)[C@H]1CCCC[C@H]1[N-]C(=O)C(F)(F)F ZINC000020466294 171209425 /nfs/dbraw/zinc/20/94/25/171209425.db2.gz KRDZLMYVWWRNHU-DTWKUNHWSA-N -1 3 251.292 3.270 20 0 CGADHM Cc1ccc(NC(=O)/C=C/c2ccsc2)c([O-])c1 ZINC000022634714 171395375 /nfs/dbraw/zinc/39/53/75/171395375.db2.gz BRWGFKOYYGSPKE-HWKANZROSA-N -1 3 259.330 3.414 20 0 CGADHM CCCN(CC(=O)[O-])Cc1ccc(Cl)cc1Cl ZINC000038021771 174000616 /nfs/dbraw/zinc/00/06/16/174000616.db2.gz KQYYEKJYFMDSTB-UHFFFAOYSA-N -1 3 276.163 3.290 20 0 CGADHM O=C([O-])C[C@@H]1CCCCN1Cc1ccc(Cl)s1 ZINC000038027717 174014115 /nfs/dbraw/zinc/01/41/15/174014115.db2.gz WWFDAIMFDYIPDK-VIFPVBQESA-N -1 3 273.785 3.231 20 0 CGADHM O=C(CCOCc1ccccc1)Nc1cccc([O-])c1F ZINC000128192911 287305513 /nfs/dbraw/zinc/30/55/13/287305513.db2.gz XBWLJIYELYJJDA-UHFFFAOYSA-N -1 3 289.306 3.077 20 0 CGADHM O=C(C[C@@H]1C=CCC1)Nc1cc(Cl)ccc1[O-] ZINC000070887159 176009914 /nfs/dbraw/zinc/00/99/14/176009914.db2.gz MMYZBIOGJACAPB-SECBINFHSA-N -1 3 251.713 3.340 20 0 CGADHM O=C(Nc1ccccc1[O-])[C@@H]1CCCc2ccccc21 ZINC000071849267 176276581 /nfs/dbraw/zinc/27/65/81/176276581.db2.gz CTACCBRPRJVZBQ-CQSZACIVSA-N -1 3 267.328 3.451 20 0 CGADHM CC(C)(C(=O)Nc1cccc([O-])c1F)c1ccccc1 ZINC000129053896 287323478 /nfs/dbraw/zinc/32/34/78/287323478.db2.gz DQUZHKKQNJSKMX-UHFFFAOYSA-N -1 3 273.307 3.448 20 0 CGADHM CCCN(CC(F)(F)F)C(=O)c1cc(C)ccc1[O-] ZINC000048090834 416445442 /nfs/dbraw/zinc/44/54/42/416445442.db2.gz NPASWYAIVFIKDA-UHFFFAOYSA-N -1 3 275.270 3.115 20 0 CGADHM Cc1ccc(C(=O)N(C)Cc2ccsc2)c([O-])c1C ZINC000048397684 416449424 /nfs/dbraw/zinc/44/94/24/416449424.db2.gz RTJKGIBJKLAUFH-UHFFFAOYSA-N -1 3 275.373 3.343 20 0 CGADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c(F)c1 ZINC000048653190 416455670 /nfs/dbraw/zinc/45/56/70/416455670.db2.gz KFPMTKMQLGQGJW-UHFFFAOYSA-N -1 3 297.326 3.382 20 0 CGADHM C[C@@H](Oc1cccc(F)c1)C(=O)Nc1cccc([O-])c1F ZINC000129486052 287333398 /nfs/dbraw/zinc/33/33/98/287333398.db2.gz KFWAVYRYARZXCD-SECBINFHSA-N -1 3 293.269 3.076 20 0 CGADHM Cc1noc(C(F)F)c1C(=O)[N-]c1ncccc1Cl ZINC000679201591 543598830 /nfs/dbraw/zinc/59/88/30/543598830.db2.gz DQWZLZYYXGSOIA-UHFFFAOYSA-N -1 3 287.653 3.221 20 0 CGADHM C[C@H]1CC[C@@H](C(F)(F)F)CN1C(=O)c1ccccc1[O-] ZINC000679531687 543642831 /nfs/dbraw/zinc/64/28/31/543642831.db2.gz YWNAPFKMCAKSNV-VHSXEESVSA-N -1 3 287.281 3.195 20 0 CGADHM C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)c1ccccc1[O-] ZINC000679531688 543643251 /nfs/dbraw/zinc/64/32/51/543643251.db2.gz YWNAPFKMCAKSNV-ZJUUUORDSA-N -1 3 287.281 3.195 20 0 CGADHM Cc1ccccc1OCC(=O)N1CCCc2cccc([O-])c21 ZINC000679319187 543616588 /nfs/dbraw/zinc/61/65/88/543616588.db2.gz TWKSOJQUVWMFFW-UHFFFAOYSA-N -1 3 297.354 3.059 20 0 CGADHM Cc1cccc(C2(C(=O)Nc3nc(C)ccc3[O-])CCC2)c1 ZINC000680321810 543696666 /nfs/dbraw/zinc/69/66/66/543696666.db2.gz YEHJWEFGGZTEMJ-UHFFFAOYSA-N -1 3 296.370 3.464 20 0 CGADHM C[C@H]1c2ccc(F)cc2CCN1C(=O)c1cccc([O-])c1 ZINC000679635168 543652094 /nfs/dbraw/zinc/65/20/94/543652094.db2.gz FOHCTMDHPUTXBD-NSHDSACASA-N -1 3 285.318 3.291 20 0 CGADHM CCC[C@H](NC(=O)c1cccc([O-])c1)c1ccccn1 ZINC000679638758 543653184 /nfs/dbraw/zinc/65/31/84/543653184.db2.gz XSOAWSDNIJBNSG-HNNXBMFYSA-N -1 3 270.332 3.058 20 0 CGADHM CSc1ccncc1[N-]C(=O)c1oc(C2CC2)nc1C ZINC000680585271 543718998 /nfs/dbraw/zinc/71/89/98/543718998.db2.gz BLDQMSDHUFLIEP-UHFFFAOYSA-N -1 3 289.360 3.230 20 0 CGADHM O=C([N-]c1c(F)cccc1F)c1coc(C2CC2)n1 ZINC000680836818 543738619 /nfs/dbraw/zinc/73/86/19/543738619.db2.gz WSTGMVYPRUTKEY-UHFFFAOYSA-N -1 3 264.231 3.083 20 0 CGADHM COc1ccc(NC(=O)C[C@@H]2CCc3ccccc32)c([O-])c1 ZINC000682388432 543839809 /nfs/dbraw/zinc/83/98/09/543839809.db2.gz WESLYHWRNOROJC-ZDUSSCGKSA-N -1 3 297.354 3.459 20 0 CGADHM Cc1cc([O-])c2nc(/C=C/c3cn[nH]c3)ccc2c1 ZINC000682852734 543873903 /nfs/dbraw/zinc/87/39/03/543873903.db2.gz DKLPNXUSKGCOTA-DUXPYHPUSA-N -1 3 251.289 3.142 20 0 CGADHM COc1ccc([C@H](CC(=O)[O-])NCc2cccs2)cc1 ZINC000683171852 543901177 /nfs/dbraw/zinc/90/11/77/543901177.db2.gz QYMRWHLWVLYUFP-AWEZNQCLSA-N -1 3 291.372 3.062 20 0 CGADHM CC[C@@H](C)CCCCC(=O)NCc1ncccc1[O-] ZINC000684350122 543983575 /nfs/dbraw/zinc/98/35/75/543983575.db2.gz MWQDQUIAVDGRLT-GFCCVEGCSA-N -1 3 264.369 3.010 20 0 CGADHM C[C@H](CNC(=O)c1cc([O-])ccc1C(F)(F)F)C1CC1 ZINC000684407463 543994763 /nfs/dbraw/zinc/99/47/63/543994763.db2.gz IHRBMVYFMHLUTQ-MRVPVSSYSA-N -1 3 287.281 3.187 20 0 CGADHM [O-]c1cccnc1CN1CC[C@@H]1c1ccc(Cl)cc1 ZINC000685419256 544066907 /nfs/dbraw/zinc/06/69/07/544066907.db2.gz GMCARNMAOFJHEL-CQSZACIVSA-N -1 3 274.751 3.388 20 0 CGADHM O=C(c1cc([O-])ccc1Cl)N1CC(CC(F)(F)F)C1 ZINC000685784262 544096964 /nfs/dbraw/zinc/09/69/64/544096964.db2.gz VWDAFOCGBYTCJE-UHFFFAOYSA-N -1 3 293.672 3.070 20 0 CGADHM Cc1oc([C@@H](C)N2CCS[C@@H](C(C)C)C2)cc1C(=O)[O-] ZINC000652439187 418968995 /nfs/dbraw/zinc/96/89/95/418968995.db2.gz ZXRLTXXQTWOUOK-QMTHXVAHSA-N -1 3 297.420 3.421 20 0 CGADHM COc1cc(CN2CCCC[C@H]2CC(=O)[O-])ccc1Cl ZINC000652463597 418971118 /nfs/dbraw/zinc/97/11/18/418971118.db2.gz MAZIBZFLNVDZSC-LBPRGKRZSA-N -1 3 297.782 3.178 20 0 CGADHM Cc1ccc([C@H]([N-]C(=O)CC(F)(F)F)C(F)(F)F)o1 ZINC000654213092 418942744 /nfs/dbraw/zinc/94/27/44/418942744.db2.gz KMRSFPLPSSOIDI-QMMMGPOBSA-N -1 3 289.175 3.260 20 0 CGADHM C[C@@H]1CCC[C@@H](C)N1Cc1ccc(F)cc1C(=O)[O-] ZINC000652366995 418958037 /nfs/dbraw/zinc/95/80/37/418958037.db2.gz CAQWBIAVIWVUSF-GHMZBOCLSA-N -1 3 265.328 3.287 20 0 CGADHM COc1ccc(C(=O)N2CC[C@H](C)c3cccc([O-])c32)o1 ZINC000655002940 419014241 /nfs/dbraw/zinc/01/42/41/419014241.db2.gz AOCOHPFNWRQHCP-JTQLQIEISA-N -1 3 287.315 3.148 20 0 CGADHM CC1=CC[C@@](C)(c2nc(-c3ccc4n[n-]nc4c3)no2)CC1 ZINC000664875610 419019131 /nfs/dbraw/zinc/01/91/31/419019131.db2.gz AAUMLTJUOMPQAK-MRXNPFEDSA-N -1 3 295.346 3.396 20 0 CGADHM Cc1ccnc([C@H]2CCN(C(=O)c3ccc([O-])c(C)c3)C2)c1 ZINC000655133431 419023952 /nfs/dbraw/zinc/02/39/52/419023952.db2.gz RHEZGPMQELENDD-HNNXBMFYSA-N -1 3 296.370 3.034 20 0 CGADHM CC1(NC(=O)CCCc2ccc([O-])c(F)c2)CC=CC1 ZINC000655227413 419031905 /nfs/dbraw/zinc/03/19/05/419031905.db2.gz QLWVRDRJFCMJNH-UHFFFAOYSA-N -1 3 277.339 3.079 20 0 CGADHM O=C([O-])[C@@H]1CN(Cc2ccc(Cl)cc2F)C[C@H]1C1CC1 ZINC000652514930 418978292 /nfs/dbraw/zinc/97/82/92/418978292.db2.gz HTKMBAQWSLZMTM-QWHCGFSZSA-N -1 3 297.757 3.022 20 0 CGADHM O=C(c1ccc2c(c1[O-])CCCC2)N1CCCC(F)(F)C1 ZINC000652745819 418989208 /nfs/dbraw/zinc/98/92/08/418989208.db2.gz LIRWJIKYRYZMBO-UHFFFAOYSA-N -1 3 295.329 3.142 20 0 CGADHM CC[C@H](c1ccccc1)N(CCC(F)(F)F)CC(=O)[O-] ZINC000659793084 418992141 /nfs/dbraw/zinc/99/21/41/418992141.db2.gz GWIWITIOVKCVEX-GFCCVEGCSA-N -1 3 289.297 3.477 20 0 CGADHM CN(Cc1cc(C(=O)[O-])co1)C[C@@H]1CCc2ccccc21 ZINC000659803677 418996017 /nfs/dbraw/zinc/99/60/17/418996017.db2.gz MERQOQWXKHULAH-ZDUSSCGKSA-N -1 3 285.343 3.140 20 0 CGADHM CCCc1cc(=O)[n-]c(C(=Cc2cnn3c2CCC3)CC)n1 ZINC000656614379 419186412 /nfs/dbraw/zinc/18/64/12/419186412.db2.gz XZTBPYJOAORDSR-XFXZXTDPSA-N -1 3 298.390 3.228 20 0 CGADHM Cc1cc(=O)[n-]c(C(C)(C)NCc2ccc3c(c2)CCC3)n1 ZINC000660746035 419189364 /nfs/dbraw/zinc/18/93/64/419189364.db2.gz IFBXHIJRGNHNTP-UHFFFAOYSA-N -1 3 297.402 3.004 20 0 CGADHM Cc1cc(=O)[n-]c(C(C)(C)NCc2ccccc2C2CC2)n1 ZINC000660749920 419189985 /nfs/dbraw/zinc/18/99/85/419189985.db2.gz UCCNCIYKYWOOGN-UHFFFAOYSA-N -1 3 297.402 3.393 20 0 CGADHM COc1cccc(CN(C[C@@H](C)C(=O)[O-])C2CC2)c1Cl ZINC000656757530 419209580 /nfs/dbraw/zinc/20/95/80/419209580.db2.gz SZCDADZHEXQGTQ-SNVBAGLBSA-N -1 3 297.782 3.034 20 0 CGADHM CCC[C@@H](NCc1ccc(C(=O)[O-])cc1)c1ccccn1 ZINC000666574336 419226783 /nfs/dbraw/zinc/22/67/83/419226783.db2.gz LCHMVIALFZZMGX-OAHLLOKOSA-N -1 3 284.359 3.411 20 0 CGADHM O=c1cc(CN2CCC(c3ccco3)CC2)nc(C2CC2)[n-]1 ZINC000661160904 419236148 /nfs/dbraw/zinc/23/61/48/419236148.db2.gz GGHBIZLWAQMTMG-UHFFFAOYSA-N -1 3 299.374 3.032 20 0 CGADHM COCC1(NCc2cccc([O-])c2Cl)CCCC1 ZINC000657548871 419302109 /nfs/dbraw/zinc/30/21/09/419302109.db2.gz PGUIYJWXRXYIDQ-UHFFFAOYSA-N -1 3 269.772 3.094 20 0 CGADHM CC(C)(C)O[C@@H]1C[C@H](NCc2ncccc2[O-])C12CCC2 ZINC000661838584 419303268 /nfs/dbraw/zinc/30/32/68/419303268.db2.gz HEFQODVAFQMSGD-LSDHHAIUSA-N -1 3 290.407 3.003 20 0 CGADHM C[C@H](O)[C@@H](NCc1cccc([O-])c1Cl)c1ccccc1 ZINC000657815984 419365223 /nfs/dbraw/zinc/36/52/23/419365223.db2.gz IXBPEFZJOKHWJG-MEDUHNTESA-N -1 3 291.778 3.257 20 0 CGADHM O=C([O-])c1ccoc1CN1CC2CC1(c1ccccc1)C2 ZINC000663318268 419556440 /nfs/dbraw/zinc/55/64/40/419556440.db2.gz UWNFOAZNJXKLBL-UHFFFAOYSA-N -1 3 283.327 3.099 20 0 CGADHM Cc1oc(C(=O)[O-])cc1CN1CC2CC1(c1ccccc1)C2 ZINC000663318266 419556540 /nfs/dbraw/zinc/55/65/40/419556540.db2.gz UTIABFHEMXNWOP-UHFFFAOYSA-N -1 3 297.354 3.407 20 0 CGADHM Fc1cccc(C(F)(F)C[N-]c2nnc(C3CC3)o2)c1 ZINC000664227209 419863237 /nfs/dbraw/zinc/86/32/37/419863237.db2.gz DMGHPDIJNRQCQH-UHFFFAOYSA-N -1 3 283.253 3.290 20 0 CGADHM CCS[C@H]1CCC[C@@H]1NC(=O)c1cccc(C)c1[O-] ZINC000225705342 287632935 /nfs/dbraw/zinc/63/29/35/287632935.db2.gz JAWSPBULLZOQHR-STQMWFEESA-N -1 3 279.405 3.105 20 0 CGADHM Cc1cnc(CCN(C)Cc2ccc(C(=O)[O-])cc2)c(C)c1 ZINC000401159195 260150924 /nfs/dbraw/zinc/15/09/24/260150924.db2.gz IHEMZIPMEIUICH-UHFFFAOYSA-N -1 3 298.386 3.071 20 0 CGADHM C[C@@H]1CCN(C(=O)c2ccc3c(c2[O-])CCCC3)[C@H]1C ZINC000183026713 261474918 /nfs/dbraw/zinc/47/49/18/261474918.db2.gz QBEXFNQCPPMIBP-NEPJUHHUSA-N -1 3 273.376 3.142 20 0 CGADHM COc1cc(C)c(NC(=O)c2ccc(C)cc2[O-])cc1F ZINC000186043515 262311330 /nfs/dbraw/zinc/31/13/30/262311330.db2.gz HJBKBEREMQKQAE-UHFFFAOYSA-N -1 3 289.306 3.409 20 0 CGADHM O=C(c1cccc([O-])c1)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000272835916 263009250 /nfs/dbraw/zinc/00/92/50/263009250.db2.gz QOOMUTHNKXRFRK-DOOHLRMFSA-N -1 3 271.360 3.043 20 0 CGADHM Cc1cccc(C(=O)N2CCC[C@H]2C2CCCC2)c1[O-] ZINC000044352673 270035573 /nfs/dbraw/zinc/03/55/73/270035573.db2.gz HQJMJIUVWNDOPE-HNNXBMFYSA-N -1 3 273.376 3.495 20 0 CGADHM COc1cc(C)cc(C(=O)N2C[C@@H](C)c3ccccc32)c1[O-] ZINC000106907464 270049379 /nfs/dbraw/zinc/04/93/79/270049379.db2.gz VVAFIDILMYNSBO-GFCCVEGCSA-N -1 3 297.354 3.473 20 0 CGADHM COc1cc(C)cc(C(=O)Nc2nc(C)c(C)s2)c1[O-] ZINC000106902866 270049406 /nfs/dbraw/zinc/04/94/06/270049406.db2.gz KOKOEFRLRUOCAY-UHFFFAOYSA-N -1 3 292.360 3.035 20 0 CGADHM Cc1cc(C(=O)Nc2ccc([O-])cc2F)nn1C(C)(C)C ZINC000183247447 270055186 /nfs/dbraw/zinc/05/51/86/270055186.db2.gz KBFYUCDFPKLXGE-UHFFFAOYSA-N -1 3 291.326 3.044 20 0 CGADHM Cc1ccc(/C=C/C(=O)Nc2ccc([O-])cc2F)o1 ZINC000183252745 270055387 /nfs/dbraw/zinc/05/53/87/270055387.db2.gz MCHCPSOCNLRKJT-FNORWQNLSA-N -1 3 261.252 3.085 20 0 CGADHM Cc1ccc(-c2nnc(NC(=O)C[C@H]3CCC[C@@H]3C)[n-]2)o1 ZINC000184038720 270057075 /nfs/dbraw/zinc/05/70/75/270057075.db2.gz IAFFKCHNBXMAMV-GXSJLCMTSA-N -1 3 288.351 3.138 20 0 CGADHM Cc1ccc(-c2n[n-]c(NC(=O)C[C@H]3CCC[C@@H]3C)n2)o1 ZINC000184038720 270057076 /nfs/dbraw/zinc/05/70/76/270057076.db2.gz IAFFKCHNBXMAMV-GXSJLCMTSA-N -1 3 288.351 3.138 20 0 CGADHM Cc1ccc(-c2nc(NC(=O)C[C@H]3CCC[C@@H]3C)n[n-]2)o1 ZINC000184038720 270057077 /nfs/dbraw/zinc/05/70/77/270057077.db2.gz IAFFKCHNBXMAMV-GXSJLCMTSA-N -1 3 288.351 3.138 20 0 CGADHM COc1ccc(CNCc2cc([O-])cc(F)c2)cc1Cl ZINC000185581991 270063471 /nfs/dbraw/zinc/06/34/71/270063471.db2.gz SWXHCSMBIQOWGS-UHFFFAOYSA-N -1 3 295.741 3.483 20 0 CGADHM C[S@](=O)Cc1cccc(NCc2cc([O-])cc(F)c2)c1 ZINC000185596895 270063716 /nfs/dbraw/zinc/06/37/16/270063716.db2.gz OHPFRMSPVBSZPH-FQEVSTJZSA-N -1 3 293.363 3.022 20 0 CGADHM CCc1ccccc1S(=O)(=O)[N-]c1ccc(OC)cc1 ZINC000187164552 270067986 /nfs/dbraw/zinc/06/79/86/270067986.db2.gz MGIHQWJJRKGWKD-UHFFFAOYSA-N -1 3 291.372 3.058 20 0 CGADHM COc1cccc([C@H](C)C(=O)Nc2ccc(C)cc2[O-])c1 ZINC000193603897 270079219 /nfs/dbraw/zinc/07/92/19/270079219.db2.gz QABFVQLGCBLYNL-LBPRGKRZSA-N -1 3 285.343 3.451 20 0 CGADHM CC(C)(C)C[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000193915494 270080404 /nfs/dbraw/zinc/08/04/04/270080404.db2.gz YNHBAWBYEZJZAV-UHFFFAOYSA-N -1 3 295.326 3.030 20 0 CGADHM CC(C)CCN(CCC(=O)[O-])Cc1cccc(F)c1F ZINC000520823446 270099359 /nfs/dbraw/zinc/09/93/59/270099359.db2.gz FVBUNJOUBIMYHS-UHFFFAOYSA-N -1 3 285.334 3.288 20 0 CGADHM C[C@H]1CCCC[C@@H]1CC(=O)N=c1cc(-c2ccncc2)[n-][nH]1 ZINC000522312563 270105758 /nfs/dbraw/zinc/10/57/58/270105758.db2.gz ZJWVFTKONUPSCX-GXTWGEPZSA-N -1 3 298.390 3.049 20 0 CGADHM CCCCn1c(=O)[n-]nc1SCCc1ccc(C)cc1 ZINC000524031602 270111562 /nfs/dbraw/zinc/11/15/62/270111562.db2.gz JJQNYPFRYATELB-UHFFFAOYSA-N -1 3 291.420 3.427 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)[C@H]2[C@@H](C)[C@H](C)O[C@H]2C)c1[O-] ZINC000528902417 270175539 /nfs/dbraw/zinc/17/55/39/270175539.db2.gz CDJSIAGLDYRDQC-YVNDNENWSA-N -1 3 297.782 3.352 20 0 CGADHM CC1(C)C[C@@H](C(=O)Nc2cc(F)ccc2[O-])C(C)(C)O1 ZINC000528901968 270175737 /nfs/dbraw/zinc/17/57/37/270175737.db2.gz KARZNTJGBQCONY-JTQLQIEISA-N -1 3 281.327 3.064 20 0 CGADHM CC1(C)C[C@@H](C(=O)Nc2ccc([O-])cc2F)C(C)(C)O1 ZINC000528988918 270176716 /nfs/dbraw/zinc/17/67/16/270176716.db2.gz LUYSVLHTPCVFNK-JTQLQIEISA-N -1 3 281.327 3.064 20 0 CGADHM CCc1cc(C(=O)NC[C@@H]2CC[C@H]3C[C@H]3C2)ccc1[O-] ZINC000529577816 270185651 /nfs/dbraw/zinc/18/56/51/270185651.db2.gz MPHZTCIPJSFBII-OSAQELSMSA-N -1 3 273.376 3.121 20 0 CGADHM CCC(NC(=O)Cc1ccc([O-])c(F)c1)(C1CC1)C1CC1 ZINC000529798732 270188771 /nfs/dbraw/zinc/18/87/71/270188771.db2.gz IMVHTHXZTSFVMD-UHFFFAOYSA-N -1 3 291.366 3.159 20 0 CGADHM Cc1cocc1C(=O)N=c1cc(C2(C)CCCC2)o[n-]1 ZINC000530265486 270197968 /nfs/dbraw/zinc/19/79/68/270197968.db2.gz FJCAGVSWDNZLAC-UHFFFAOYSA-N -1 3 274.320 3.082 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)[C@@H](C)C(C)C)c1-c1ccc(F)cc1 ZINC000530274768 270198212 /nfs/dbraw/zinc/19/82/12/270198212.db2.gz USKYWIWBAGYMQB-JTQLQIEISA-N -1 3 289.354 3.177 20 0 CGADHM CCc1cccc(C(=O)Nc2cccc3c2CCO3)c1[O-] ZINC000530305830 270198663 /nfs/dbraw/zinc/19/86/63/270198663.db2.gz HSOFXZLYIIUWFF-UHFFFAOYSA-N -1 3 283.327 3.142 20 0 CGADHM CC[C@H](Nc1ccccc1)C(=O)Nc1cc(F)ccc1[O-] ZINC000530897421 270203485 /nfs/dbraw/zinc/20/34/85/270203485.db2.gz ZLFNZISODCTOIW-ZDUSSCGKSA-N -1 3 288.322 3.361 20 0 CGADHM CC(C)SCC(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000531618266 270207866 /nfs/dbraw/zinc/20/78/66/270207866.db2.gz PGLCDEIJLHHNNQ-UHFFFAOYSA-N -1 3 293.310 3.491 20 0 CGADHM COc1ccc(C(=O)N2C[C@H](C)[C@@H]3CCCC[C@@H]32)c([O-])c1 ZINC000248386874 287761878 /nfs/dbraw/zinc/76/18/78/287761878.db2.gz ODQFXLWKQQWUPD-WHOFXGATSA-N -1 3 289.375 3.052 20 0 CGADHM [O-]c1cc(F)cc(CN2CC[C@]3(C2)OCc2ccccc23)c1 ZINC000336330400 275060552 /nfs/dbraw/zinc/06/05/52/275060552.db2.gz HISIFDXIDKHKPZ-GOSISDBHSA-N -1 3 299.345 3.163 20 0 CGADHM CCc1ccc(C(=O)N2CCCC(C)(C)C2)c([O-])c1 ZINC000436821794 276687108 /nfs/dbraw/zinc/68/71/08/276687108.db2.gz MEDNDUPYXOAGLF-UHFFFAOYSA-N -1 3 261.365 3.217 20 0 CGADHM COc1ccc([O-])c(C(=O)Nc2c(C)cccc2C)c1 ZINC000051770646 277422360 /nfs/dbraw/zinc/42/23/60/277422360.db2.gz BJAGJHUJNVSDKX-UHFFFAOYSA-N -1 3 271.316 3.270 20 0 CGADHM Cc1ccc(C(=O)N2CCC[C@@H]2CC(C)C)c([O-])c1 ZINC000396787311 288016466 /nfs/dbraw/zinc/01/64/66/288016466.db2.gz VPKBGABZMNCJMV-CYBMUJFWSA-N -1 3 261.365 3.351 20 0 CGADHM C[C@H]1CCN(C(=O)[C@@H]2CC2(C)C)c2c([O-])cccc21 ZINC000345135229 278360817 /nfs/dbraw/zinc/36/08/17/278360817.db2.gz NZGNCRHJBCLASE-JQWIXIFHSA-N -1 3 259.349 3.279 20 0 CGADHM [O-]c1ccc(F)c(CN2CC3(C2)CCCCC3)c1F ZINC000459595402 288099312 /nfs/dbraw/zinc/09/93/12/288099312.db2.gz MUJXOLYBESBBOR-UHFFFAOYSA-N -1 3 267.319 3.437 20 0 CGADHM CS(=O)(=O)[N-]c1ccc(Cl)cc1-c1ccccc1 ZINC000527489601 288172050 /nfs/dbraw/zinc/17/20/50/288172050.db2.gz IPYVXLYPJPEQGU-UHFFFAOYSA-N -1 3 281.764 3.379 20 0 CGADHM CCC[C@H]1CCCC[C@H]1NC(=O)c1ccc([O-])c(OC)c1 ZINC000527487406 288172160 /nfs/dbraw/zinc/17/21/60/288172160.db2.gz YIYTULLALAYVIQ-GXTWGEPZSA-N -1 3 291.391 3.490 20 0 CGADHM O=C(Nc1ccccc1[O-])[C@H]1CCC(=O)c2ccccc21 ZINC000334244566 280041330 /nfs/dbraw/zinc/04/13/30/280041330.db2.gz ZWAGWDOYTXFHOF-ZDUSSCGKSA-N -1 3 281.311 3.091 20 0 CGADHM CCC1(CNC(=O)c2cc([O-])cc(Br)c2)CC1 ZINC000528797428 288220564 /nfs/dbraw/zinc/22/05/64/288220564.db2.gz LEZBIYDNLYSBSU-UHFFFAOYSA-N -1 3 298.180 3.075 20 0 CGADHM C[C@@H]1[C@@H](C(=O)Nc2ccc([O-])cc2Cl)[C@@H]1C1CC1 ZINC000529514244 288255458 /nfs/dbraw/zinc/25/54/58/288255458.db2.gz AFQWHSAFVYAUNX-WCDAPOTHSA-N -1 3 265.740 3.276 20 0 CGADHM C[C@@H]1CC(C(=O)[O-])C[C@@H](C)N1Cc1ccc(Cl)cc1 ZINC000530174020 288293125 /nfs/dbraw/zinc/29/31/25/288293125.db2.gz HQVBHTWCKLBFBR-GHMZBOCLSA-N -1 3 281.783 3.414 20 0 CGADHM C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)N1Cc1cc(F)cc(F)c1 ZINC000530180378 288296866 /nfs/dbraw/zinc/29/68/66/288296866.db2.gz YJUODQHEXXCOJA-PEGIJTEDSA-N -1 3 283.318 3.038 20 0 CGADHM Cc1cccc(C(=O)N[C@@H]2CCOc3c(C)cccc32)c1[O-] ZINC000436968453 281194543 /nfs/dbraw/zinc/19/45/43/281194543.db2.gz UGLUTZBWWODKFB-OAHLLOKOSA-N -1 3 297.354 3.263 20 0 CGADHM CC1(C)CN(C(=O)c2c([O-])cccc2O)Cc2ccccc21 ZINC000271260532 281218026 /nfs/dbraw/zinc/21/80/26/281218026.db2.gz HDDRGXXNXMGFTQ-UHFFFAOYSA-N -1 3 297.354 3.031 20 0 CGADHM CC1(C)CN(C(=O)c2cc([O-])ccc2Cl)[C@H]1C1CC1 ZINC000365798668 281219821 /nfs/dbraw/zinc/21/98/21/281219821.db2.gz UAPYKOTUXPFYPR-ZDUSSCGKSA-N -1 3 279.767 3.306 20 0 CGADHM CCc1ccc(C(=O)N2CC[C@H](C)[C@H](C)C2)c([O-])c1 ZINC000188910316 281397891 /nfs/dbraw/zinc/39/78/91/281397891.db2.gz DNNDLWBZOXGMTF-NWDGAFQWSA-N -1 3 261.365 3.073 20 0 CGADHM O=C(Nc1ccc(Cl)cc1[O-])[C@@H]1COc2ccccc21 ZINC000533617320 288390297 /nfs/dbraw/zinc/39/02/97/288390297.db2.gz OYIRNJTUOWWRDN-LLVKDONJSA-N -1 3 289.718 3.160 20 0 CGADHM CC(C)Oc1ccc(CCNC(=O)c2cccc([O-])c2)cc1 ZINC000540962167 288680154 /nfs/dbraw/zinc/68/01/54/288680154.db2.gz SWAPCABJQZPPQY-UHFFFAOYSA-N -1 3 299.370 3.152 20 0 CGADHM Cc1ccc([O-])c(NC(=O)[C@H](c2ccccc2)C2CC2)n1 ZINC000542446349 288752174 /nfs/dbraw/zinc/75/21/74/288752174.db2.gz ORROWXQMHOJFDK-OAHLLOKOSA-N -1 3 282.343 3.228 20 0 CGADHM Cc1cc(-c2nc3ccc(F)cc3c(=O)[n-]2)c(C)o1 ZINC000546045850 288914648 /nfs/dbraw/zinc/91/46/48/288914648.db2.gz YUJGMIGOWCPUPH-UHFFFAOYSA-N -1 3 258.252 3.351 20 0 CGADHM C[C@H]1CCN(C(=O)NCc2ccc([O-])c(F)c2)CC1(C)C ZINC000546819023 288940281 /nfs/dbraw/zinc/94/02/81/288940281.db2.gz NBYYGRCUAFLRTA-NSHDSACASA-N -1 3 294.370 3.109 20 0 CGADHM COCc1nc(C(=O)[N-]c2csc3ccccc23)co1 ZINC000548492463 289009644 /nfs/dbraw/zinc/00/96/44/289009644.db2.gz BRELOKLDZPWDAV-UHFFFAOYSA-N -1 3 288.328 3.288 20 0 CGADHM CC(=O)c1cccc(NC(=O)CCc2ccccc2C)c1[O-] ZINC000552287031 289178917 /nfs/dbraw/zinc/17/89/17/289178917.db2.gz GBPJVZKGBDAQMK-UHFFFAOYSA-N -1 3 297.354 3.475 20 0 CGADHM O=C(Nc1c([O-])cccc1Cl)c1n[nH]c2ccccc21 ZINC000557182036 289434282 /nfs/dbraw/zinc/43/42/82/289434282.db2.gz GRRDDGUMVQEMBA-UHFFFAOYSA-N -1 3 287.706 3.174 20 0 CGADHM CCc1ccc(C(=O)NCc2cccc(C(C)=O)c2)c([O-])c1 ZINC000562014443 289667472 /nfs/dbraw/zinc/66/74/72/289667472.db2.gz DIKOWEUPAHMFIU-UHFFFAOYSA-N -1 3 297.354 3.087 20 0 CGADHM Cc1sc2[n-]c(-c3cscn3)nc(=O)c2c1C ZINC000432499721 294079657 /nfs/dbraw/zinc/07/96/57/294079657.db2.gz IPZYZZQLUZGURG-UHFFFAOYSA-N -1 3 263.347 3.137 20 0 CGADHM COc1cc(C(=O)N2CCC[C@@H]2c2ccccc2)ccc1[O-] ZINC000268063359 294929757 /nfs/dbraw/zinc/92/97/57/294929757.db2.gz FXROELGLWDKQHL-OAHLLOKOSA-N -1 3 297.354 3.378 20 0 CGADHM Cc1cc(C(=O)N2CCC(C(F)(F)F)CC2)ccc1[O-] ZINC000227035951 301086301 /nfs/dbraw/zinc/08/63/01/301086301.db2.gz XNFBGVQJNBKSFM-UHFFFAOYSA-N -1 3 287.281 3.115 20 0 CGADHM Cc1ccc(C(=O)N2CCC[C@@H]2C2CCC2)c([O-])c1 ZINC000094105852 301502497 /nfs/dbraw/zinc/50/24/97/301502497.db2.gz YJSHCTOVYVGDHF-CQSZACIVSA-N -1 3 259.349 3.105 20 0 CGADHM Cc1ccc2nccc(N3C[C@H](C)C[C@@H](C(=O)[O-])C3)c2c1 ZINC000422557705 301931074 /nfs/dbraw/zinc/93/10/74/301931074.db2.gz LDPAKTWRPMREJM-CHWSQXEVSA-N -1 3 284.359 3.090 20 0 CGADHM COc1cc(C)c(NC(=O)c2cccc([O-])c2)cc1F ZINC000186056400 327680716 /nfs/dbraw/zinc/68/07/16/327680716.db2.gz YBLPETCHMRXEEW-UHFFFAOYSA-N -1 3 275.279 3.101 20 0 CGADHM CC(C)CC[C@H]1CCC[C@@H]1NC(=O)c1csc(=O)[n-]1 ZINC000332937421 321964174 /nfs/dbraw/zinc/96/41/74/321964174.db2.gz NZJXQKKDDWFJFI-MNOVXSKESA-N -1 3 282.409 3.183 20 0 CGADHM Cc1oc(CN(C)C[C@@H]2CCC(F)(F)C2)cc1C(=O)[O-] ZINC000563629466 322004670 /nfs/dbraw/zinc/00/46/70/322004670.db2.gz HWCIMPRQDLDLMV-SNVBAGLBSA-N -1 3 287.306 3.153 20 0 CGADHM [O-]c1cccnc1CN1CCC[C@@H]1c1ccsc1 ZINC000564289966 322025495 /nfs/dbraw/zinc/02/54/95/322025495.db2.gz CGYABWIXKXQOQZ-CYBMUJFWSA-N -1 3 260.362 3.186 20 0 CGADHM COc1ccc(C(=O)Nc2cccc(C(C)=O)c2[O-])c(C)c1 ZINC000564307395 322026318 /nfs/dbraw/zinc/02/63/18/322026318.db2.gz GRVQNEZRNQPFMN-UHFFFAOYSA-N -1 3 299.326 3.164 20 0 CGADHM CC[C@H](c1ccc(F)cc1F)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000564966556 322051813 /nfs/dbraw/zinc/05/18/13/322051813.db2.gz NUPAVFGFQKDQSM-WDBKCZKBSA-N -1 3 297.345 3.459 20 0 CGADHM O=C([O-])c1csc(CN(CC2CC2)C2CCCCC2)n1 ZINC000565102044 322059955 /nfs/dbraw/zinc/05/99/55/322059955.db2.gz CLXQMVDEQDUZPO-UHFFFAOYSA-N -1 3 294.420 3.386 20 0 CGADHM CCCc1coc([N-]C(=O)c2occc2Br)n1 ZINC000566427740 322122390 /nfs/dbraw/zinc/12/23/90/322122390.db2.gz LWGNFCBVMSHEBQ-UHFFFAOYSA-N -1 3 299.124 3.235 20 0 CGADHM C[C@@H](CCC(C)(C)C)NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000567518151 322166391 /nfs/dbraw/zinc/16/63/91/322166391.db2.gz HXKCCJQFKYNNTG-JTQLQIEISA-N -1 3 291.395 3.004 20 0 CGADHM CCc1[nH]ccc1C(=O)N=c1cc(C2(C)CCCC2)o[n-]1 ZINC000567744627 322175457 /nfs/dbraw/zinc/17/54/57/322175457.db2.gz MKEVNSCQGFBLMV-UHFFFAOYSA-N -1 3 287.363 3.071 20 0 CGADHM C[C@H]1CCN(Cc2cccc(C(F)F)c2)C[C@@H]1C(=O)[O-] ZINC000567856690 322180211 /nfs/dbraw/zinc/18/02/11/322180211.db2.gz PGOJJUGTZOUAMN-GWCFXTLKSA-N -1 3 283.318 3.167 20 0 CGADHM Cc1cccc(Cl)c1CN1CCCC[C@@H]1C(=O)[O-] ZINC000568055310 322189958 /nfs/dbraw/zinc/18/99/58/322189958.db2.gz UJOGZHCZBFAPDP-CYBMUJFWSA-N -1 3 267.756 3.088 20 0 CGADHM O=C([O-])c1coc(CN2CC[C@@H](Cc3ccccc3)C2)c1 ZINC000568060120 322190627 /nfs/dbraw/zinc/19/06/27/322190627.db2.gz RIUGUAJAMPSIQA-AWEZNQCLSA-N -1 3 285.343 3.042 20 0 CGADHM C[C@H](c1ccc(C(=O)[O-])o1)N1CC[C@@H](C)C(C)(C)C1 ZINC000568065907 322191846 /nfs/dbraw/zinc/19/18/46/322191846.db2.gz KQCKAKWZUUSETN-GHMZBOCLSA-N -1 3 265.353 3.407 20 0 CGADHM C[C@H](c1ccc(C(=O)[O-])o1)N1CC[C@H](C)C(C)(C)C1 ZINC000568065910 322191889 /nfs/dbraw/zinc/19/18/89/322191889.db2.gz KQCKAKWZUUSETN-WDEREUQCSA-N -1 3 265.353 3.407 20 0 CGADHM C[C@@H]1C[C@H](C)N(CCOc2ccc(C(=O)[O-])cc2Cl)C1 ZINC000568281206 322203136 /nfs/dbraw/zinc/20/31/36/322203136.db2.gz CMQLTJUKRUANNT-MNOVXSKESA-N -1 3 297.782 3.147 20 0 CGADHM CO[C@]1(C)C[C@H](N(C)Cc2csc(C(=O)[O-])c2)C1(C)C ZINC000569584178 322251113 /nfs/dbraw/zinc/25/11/13/322251113.db2.gz NIDCQRPGQGEPRA-SWLSCSKDSA-N -1 3 297.420 3.082 20 0 CGADHM CC[C@@H](F)CN(CC(=O)[O-])[C@H](CC)c1ccccc1 ZINC000569826440 322258121 /nfs/dbraw/zinc/25/81/21/322258121.db2.gz WVYBDIIULWVIPM-ZIAGYGMSSA-N -1 3 267.344 3.272 20 0 CGADHM CCCCc1ccc(NC(=O)Cc2cncc([O-])c2)cc1 ZINC000570432742 322273400 /nfs/dbraw/zinc/27/34/00/322273400.db2.gz ANFOGKREWNOOIZ-UHFFFAOYSA-N -1 3 284.359 3.311 20 0 CGADHM CC(C)n1cc([C@H](C)NCc2ccc(C(=O)[O-])cc2)cn1 ZINC000570421733 322273450 /nfs/dbraw/zinc/27/34/50/322273450.db2.gz YRBUERDOJJGYIB-LBPRGKRZSA-N -1 3 287.363 3.013 20 0 CGADHM CCc1cccc(-c2nc([C@@H](N)CC(C)C)no2)c1[O-] ZINC000571164344 322291846 /nfs/dbraw/zinc/29/18/46/322291846.db2.gz GJXSWCSGSNKCGI-LBPRGKRZSA-N -1 3 275.352 3.051 20 0 CGADHM CCc1cccc(C(=O)NCCC2CC(F)(F)C2)c1[O-] ZINC000571283376 322294744 /nfs/dbraw/zinc/29/47/44/322294744.db2.gz RPENIMVCBMCUNF-UHFFFAOYSA-N -1 3 283.318 3.120 20 0 CGADHM CC[C@@H]1CCCN([C@@H](C)c2cc(C(=O)[O-])c(C)o2)C1 ZINC000572413601 322336021 /nfs/dbraw/zinc/33/60/21/322336021.db2.gz LXLKWOAAODKRGR-CMPLNLGQSA-N -1 3 265.353 3.469 20 0 CGADHM O=C([O-])c1occc1CN1CCC[C@@H]1c1ccccc1 ZINC000572413577 322336113 /nfs/dbraw/zinc/33/61/13/322336113.db2.gz JURDLHUDHUXCNC-CQSZACIVSA-N -1 3 271.316 3.315 20 0 CGADHM CS[C@@H]1CCCCN(Cc2cc(C(=O)[O-])oc2C)C1 ZINC000572532895 322342564 /nfs/dbraw/zinc/34/25/64/322342564.db2.gz IOVYDFMVEXGKHA-GFCCVEGCSA-N -1 3 283.393 3.004 20 0 CGADHM CCN(C(=O)c1cc(=O)[n-]c(C2CC2)n1)c1ccccc1C ZINC000572778892 322354867 /nfs/dbraw/zinc/35/48/67/322354867.db2.gz XRSWTDITAHBJHW-UHFFFAOYSA-N -1 3 297.358 3.035 20 0 CGADHM CCCN(Cc1ccccc1)Cc1ncccc1[O-] ZINC000573406039 322386011 /nfs/dbraw/zinc/38/60/11/322386011.db2.gz MCCXUVCMUHAMGJ-UHFFFAOYSA-N -1 3 256.349 3.199 20 0 CGADHM Cc1ccc2nccc(N3CC[C@H](C)[C@H](C(=O)[O-])C3)c2c1 ZINC000574205165 322428943 /nfs/dbraw/zinc/42/89/43/322428943.db2.gz VBQQQLCURCZQQZ-GXTWGEPZSA-N -1 3 284.359 3.090 20 0 CGADHM CC(=O)c1cccc(NC(=O)C[C@@H]2CC[C@@H](C)C2)c1[O-] ZINC000582610713 329116421 /nfs/dbraw/zinc/11/64/21/329116421.db2.gz VSDGLKHPCGYMAC-ZYHUDNBSSA-N -1 3 275.348 3.360 20 0 CGADHM C[C@H](c1cc(F)ccc1F)N(C)CC1(CC(=O)[O-])CC1 ZINC000582671365 329123077 /nfs/dbraw/zinc/12/30/77/329123077.db2.gz NFHHHFMYEQVNKC-SNVBAGLBSA-N -1 3 283.318 3.213 20 0 CGADHM Cc1cc(Cl)cc(CN2CCC[C@H](CC(=O)[O-])C2)c1 ZINC000395113403 329276445 /nfs/dbraw/zinc/27/64/45/329276445.db2.gz PWHWWFBGMMAWAJ-GFCCVEGCSA-N -1 3 281.783 3.335 20 0 CGADHM CCN(CCOc1cccc(C(=O)[O-])c1)Cc1ccccc1 ZINC000011961029 329299212 /nfs/dbraw/zinc/29/92/12/329299212.db2.gz IZUJMCCNPLPVER-UHFFFAOYSA-N -1 3 299.370 3.286 20 0 CGADHM CC1(C)CCN([C@@H](C(=O)[O-])c2c(F)cccc2Cl)C1 ZINC000580456430 330141032 /nfs/dbraw/zinc/14/10/32/330141032.db2.gz ARBIMKDGBIVRSA-GFCCVEGCSA-N -1 3 285.746 3.337 20 0 CGADHM Cc1ccc(C(=O)NCc2ccc([O-])c(F)c2)c(Cl)c1 ZINC000191858209 331008572 /nfs/dbraw/zinc/00/85/72/331008572.db2.gz JFMKBHABFCFCEG-UHFFFAOYSA-N -1 3 293.725 3.423 20 0 CGADHM CC(C)[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(O)cc1[O-] ZINC000221009147 333172026 /nfs/dbraw/zinc/17/20/26/333172026.db2.gz OTKJMIBBAZBJDJ-JSGCOSHPSA-N -1 3 277.364 3.042 20 0 CGADHM Cc1cc(CN[C@@H](C(=O)[O-])c2cccc(F)c2)ccc1F ZINC000426820530 533714589 /nfs/dbraw/zinc/71/45/89/533714589.db2.gz LMCNCLDMSUWYFQ-OAHLLOKOSA-N -1 3 291.297 3.189 20 0 CGADHM CN(Cc1ccc(OCC(=O)[O-])cc1)CC1=CCCCC1 ZINC000576471945 335208728 /nfs/dbraw/zinc/20/87/28/335208728.db2.gz ABLMKTSMDRKTFR-UHFFFAOYSA-N -1 3 289.375 3.082 20 0 CGADHM Cc1occc1C(=O)Nc1cc(Br)ccc1[O-] ZINC000176438565 335278563 /nfs/dbraw/zinc/27/85/63/335278563.db2.gz QFINTPIHLDOZED-UHFFFAOYSA-N -1 3 296.120 3.308 20 0 CGADHM O=[S@](Cc1nc(C2CC2)cs1)c1ccc([O-])cc1 ZINC000577022185 335283092 /nfs/dbraw/zinc/28/30/92/335283092.db2.gz QCHVROXXIXRLFF-GOSISDBHSA-N -1 3 279.386 3.034 20 0 CGADHM CCS[C@H]1CC[C@H](N(C)Cc2cc(C(=O)[O-])oc2C)C1 ZINC000577118090 335303273 /nfs/dbraw/zinc/30/32/73/335303273.db2.gz OFUHGJQPIJPKGH-STQMWFEESA-N -1 3 297.420 3.392 20 0 CGADHM CC[C@H](Cc1nc(-c2ccc3n[n-]nc3c2)no1)C(C)C ZINC000580686079 335322404 /nfs/dbraw/zinc/32/24/04/335322404.db2.gz JIMPKVGTPXNFTG-SNVBAGLBSA-N -1 3 285.351 3.233 20 0 CGADHM O=C(N[C@H]1CC12CC2)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000577723248 335392314 /nfs/dbraw/zinc/39/23/14/335392314.db2.gz MKPJLXZQNKXYCK-VIFPVBQESA-N -1 3 293.779 3.074 20 0 CGADHM C[C@@H](C(=O)Nc1ncccc1[O-])c1cc2ccccc2o1 ZINC000178084907 335413059 /nfs/dbraw/zinc/41/30/59/335413059.db2.gz NKYHZKHJPDSEFC-SNVBAGLBSA-N -1 3 282.299 3.276 20 0 CGADHM Cc1ccc(C(=O)Nc2cc(F)ccc2[O-])c(C)c1 ZINC000178330255 335426416 /nfs/dbraw/zinc/42/64/16/335426416.db2.gz YRNWKRVBZFZAQZ-UHFFFAOYSA-N -1 3 259.280 3.400 20 0 CGADHM Cc1ccc([O-])c(NC(=O)C(=O)c2ccc3c(c2)CCC3)c1 ZINC000195181209 336048583 /nfs/dbraw/zinc/04/85/83/336048583.db2.gz DBSFXBKOSMSKPX-UHFFFAOYSA-N -1 3 295.338 3.011 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CC(C)(C)[C@H]3CCC[C@H]32)c1 ZINC000381122926 336051051 /nfs/dbraw/zinc/05/10/51/336051051.db2.gz LZOVXSQTJRHBSB-UONOGXRCSA-N -1 3 273.376 3.351 20 0 CGADHM Cc1ccc([C@@H]2CCN(c3ccncc3C(=O)[O-])C2)cc1 ZINC000581551005 336101198 /nfs/dbraw/zinc/10/11/98/336101198.db2.gz XNFYEEGLMMYBQQ-CQSZACIVSA-N -1 3 282.343 3.082 20 0 CGADHM COc1ccc([O-])c(C(=O)NC(C)(C)c2ccccc2)c1 ZINC000385904486 336161004 /nfs/dbraw/zinc/16/10/04/336161004.db2.gz CVGDAFYBZCGCQL-UHFFFAOYSA-N -1 3 285.343 3.066 20 0 CGADHM CC1(C)CO[C@H](c2ccccc2)CN1Cc1ncccc1[O-] ZINC000581970458 336180947 /nfs/dbraw/zinc/18/09/47/336180947.db2.gz CWSZKCFKUGSDSK-KRWDZBQOSA-N -1 3 298.386 3.139 20 0 CGADHM [O-]c1ccc(-c2noc(Cc3noc4ccccc43)n2)cc1 ZINC000386971924 336183248 /nfs/dbraw/zinc/18/32/48/336183248.db2.gz XMGXFPORGWOKIT-UHFFFAOYSA-N -1 3 293.282 3.174 20 0 CGADHM COc1cc(C2(C(=O)Nc3ccccc3[O-])CC2)ccc1C ZINC000355089953 533717844 /nfs/dbraw/zinc/71/78/44/533717844.db2.gz JZRWJGHZJAIEMA-UHFFFAOYSA-N -1 3 297.354 3.380 20 0 CGADHM Cc1cc(CN[C@H](C(=O)[O-])c2ccc(F)cc2)ccc1F ZINC000426765449 533728547 /nfs/dbraw/zinc/72/85/47/533728547.db2.gz OGZKRKHGDXTOJW-HNNXBMFYSA-N -1 3 291.297 3.189 20 0 CGADHM COC(=O)c1cc(C(=O)Nc2cc(Cl)ccc2C)c[n-]1 ZINC000431261523 533743813 /nfs/dbraw/zinc/74/38/13/533743813.db2.gz RPARPISEUBRKAI-UHFFFAOYSA-N -1 3 292.722 3.015 20 0 CGADHM C[C@H](NC(=O)c1ccc(O)cc1[O-])C(C)(C)c1ccccc1 ZINC000439055792 533755650 /nfs/dbraw/zinc/75/56/50/533755650.db2.gz IRKLIHKCENPHJP-LBPRGKRZSA-N -1 3 299.370 3.194 20 0 CGADHM C[C@H](CCc1ccccc1)CNCc1cc(C(=O)[O-])co1 ZINC000426713646 533991637 /nfs/dbraw/zinc/99/16/37/533991637.db2.gz ITKROOFUVKFSFZ-CYBMUJFWSA-N -1 3 287.359 3.336 20 0 CGADHM C[C@@H]1C[C@H]1CNC(=O)CCc1ccc2ccccc2c1[O-] ZINC000448701677 534025410 /nfs/dbraw/zinc/02/54/10/534025410.db2.gz UBTSMRSWQLJHGO-DOMZBBRYSA-N -1 3 283.371 3.250 20 0 CGADHM Cc1ccc(CNC(=O)c2ccc([O-])c(C)c2)c(C)c1 ZINC000436905378 534048526 /nfs/dbraw/zinc/04/85/26/534048526.db2.gz SIUYVMOAMQGQBG-UHFFFAOYSA-N -1 3 269.344 3.247 20 0 CGADHM Cc1ccc(CN[C@H](C(=O)[O-])c2cccc(F)c2)c(C)c1 ZINC000426829841 534086506 /nfs/dbraw/zinc/08/65/06/534086506.db2.gz SCHMULASKVKOKB-INIZCTEOSA-N -1 3 287.334 3.358 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2ccnn2[C@H](C)C2CC2)c1 ZINC000193124872 534194042 /nfs/dbraw/zinc/19/40/42/534194042.db2.gz AGRAKQRWPAVJJR-LLVKDONJSA-N -1 3 285.347 3.120 20 0 CGADHM COc1ccc([O-])c(C(=O)N2Cc3ccccc3[C@@H]2C)c1 ZINC000354798186 534196660 /nfs/dbraw/zinc/19/66/60/534196660.db2.gz SYUUMLGSXPNXAZ-NSHDSACASA-N -1 3 283.327 3.118 20 0 CGADHM Cc1ccc(-c2nnc(NC(=O)C3=CC[C@@H](C)CC3)[n-]2)o1 ZINC000412193247 534199717 /nfs/dbraw/zinc/19/97/17/534199717.db2.gz LPLSXZORUBMYEW-SECBINFHSA-N -1 3 286.335 3.058 20 0 CGADHM Cc1ccc(-c2n[n-]c(NC(=O)C3=CC[C@@H](C)CC3)n2)o1 ZINC000412193247 534199725 /nfs/dbraw/zinc/19/97/25/534199725.db2.gz LPLSXZORUBMYEW-SECBINFHSA-N -1 3 286.335 3.058 20 0 CGADHM Cc1ccc(-c2nc(NC(=O)C3=CC[C@@H](C)CC3)n[n-]2)o1 ZINC000412193247 534199729 /nfs/dbraw/zinc/19/97/29/534199729.db2.gz LPLSXZORUBMYEW-SECBINFHSA-N -1 3 286.335 3.058 20 0 CGADHM COc1ccc([O-])c2nc(/C=C/c3cocn3)ccc12 ZINC000358653997 534204430 /nfs/dbraw/zinc/20/44/30/534204430.db2.gz HOJNJCYSGLTDIZ-NSCUHMNNSA-N -1 3 268.272 3.107 20 0 CGADHM CC(C)OCc1nc(=O)c2c3c(sc2[n-]1)C[C@H](C)CC3 ZINC000080715603 519776665 /nfs/dbraw/zinc/77/66/65/519776665.db2.gz FETGOMXBDVVKIC-SECBINFHSA-N -1 3 292.404 3.034 20 0 CGADHM [O-]c1cc2ccccc2cc1-c1nc(-c2ccon2)no1 ZINC000436948969 534449930 /nfs/dbraw/zinc/44/99/30/534449930.db2.gz IUIVKWLXEMKOOX-UHFFFAOYSA-N -1 3 279.255 3.250 20 0 CGADHM [O-]c1ccc(-c2noc(CCCC(F)(F)F)n2)cc1 ZINC000436691115 534450693 /nfs/dbraw/zinc/45/06/93/534450693.db2.gz XETYTYVPDFBYBV-UHFFFAOYSA-N -1 3 272.226 3.327 20 0 CGADHM O=C([O-])[C@@H](NCc1ccc(F)cc1)c1cccc(Cl)c1 ZINC000426724682 534515437 /nfs/dbraw/zinc/51/54/37/534515437.db2.gz VCMLWJBRMCOQDU-AWEZNQCLSA-N -1 3 293.725 3.395 20 0 CGADHM Cc1cccc(C(=O)N2Cc3ccccc3[C@@H]2C)c1[O-] ZINC000436591418 534598795 /nfs/dbraw/zinc/59/87/95/534598795.db2.gz WPPIHZQVSIPVJK-LBPRGKRZSA-N -1 3 267.328 3.418 20 0 CGADHM Cc1cccc(C(=O)NC(C)(C)c2cccs2)c1[O-] ZINC000436550178 534600932 /nfs/dbraw/zinc/60/09/32/534600932.db2.gz WSKNJSZDMIRNKU-UHFFFAOYSA-N -1 3 275.373 3.427 20 0 CGADHM Cc1cccc(C(=O)NC[C@H]2CCc3ccccc32)c1[O-] ZINC000436827485 534608276 /nfs/dbraw/zinc/60/82/76/534608276.db2.gz DXZJBSHEDIFTKC-CQSZACIVSA-N -1 3 281.355 3.160 20 0 CGADHM Cc1cccc(C(=O)N[C@@H]2C[C@@H]2Cc2ccccc2)c1[O-] ZINC000436591794 534618721 /nfs/dbraw/zinc/61/87/21/534618721.db2.gz RLOSRJBRAFTLJF-GOEBONIOSA-N -1 3 281.355 3.062 20 0 CGADHM CC[C@@H](C)c1cc(C(=O)[N-]c2nc(COC)cs2)on1 ZINC000156108209 522423892 /nfs/dbraw/zinc/42/38/92/522423892.db2.gz WEOYYYPZDOWGDL-MRVPVSSYSA-N -1 3 295.364 3.043 20 0 CGADHM CN(Cc1ccc(Cl)cc1Cl)C(C)(C)C(=O)[O-] ZINC000061171647 523230392 /nfs/dbraw/zinc/23/03/92/523230392.db2.gz AXVPTXFTCYKMJT-UHFFFAOYSA-N -1 3 276.163 3.288 20 0 CGADHM CC[C@@H]1CCCC[C@H]1NC(=O)c1c[n-]c2ccccc2c1=O ZINC000097106670 523219063 /nfs/dbraw/zinc/21/90/63/523219063.db2.gz BPHWILSPVMITEQ-IUODEOHRSA-N -1 3 298.386 3.227 20 0 CGADHM Cc1ccc([O-])c(C(=O)N(C)[C@@H]2CCCC[C@H]2C)c1 ZINC000055482031 525333157 /nfs/dbraw/zinc/33/31/57/525333157.db2.gz QGTLHAQYCSAIID-TZMCWYRMSA-N -1 3 261.365 3.351 20 0 CGADHM C[C@@H](N[C@@H](C)C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000049353675 525592096 /nfs/dbraw/zinc/59/20/96/525592096.db2.gz ADZQIRQLJZHPMV-RQJHMYQMSA-N -1 3 262.136 3.117 20 0 CGADHM C=Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000436478667 526279809 /nfs/dbraw/zinc/27/98/09/526279809.db2.gz NMZIAKAPYFHSLN-UHFFFAOYSA-N -1 3 277.320 3.270 20 0 CGADHM CC(C)(C)[C@H]1CCC[C@@H]1NC(=O)Cc1ccc([O-])c(F)c1 ZINC000412824519 526724685 /nfs/dbraw/zinc/72/46/85/526724685.db2.gz OGNGRYVWJKDYTN-JSGCOSHPSA-N -1 3 293.382 3.405 20 0 CGADHM CC(C)(CC(F)F)C(=O)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000411459309 526973922 /nfs/dbraw/zinc/97/39/22/526973922.db2.gz RPUMCENUEQHKJS-UHFFFAOYSA-N -1 3 293.317 3.119 20 0 CGADHM CC(C)(CCCNCc1cc(Cl)ccc1F)C(=O)[O-] ZINC000426652599 527015836 /nfs/dbraw/zinc/01/58/36/527015836.db2.gz VPOMQDBZYOGYAL-UHFFFAOYSA-N -1 3 287.762 3.460 20 0 CGADHM CC(=O)c1cccc(NC(=O)c2ccc(C)c(C)c2[O-])c1 ZINC000436746985 527370038 /nfs/dbraw/zinc/37/00/38/527370038.db2.gz JFJMXTAMEJEBNK-UHFFFAOYSA-N -1 3 283.327 3.464 20 0 CGADHM O=[S@](Cc1c(F)cccc1Cl)c1ccc([O-])cc1 ZINC000108084472 527427396 /nfs/dbraw/zinc/42/73/96/527427396.db2.gz AZLKDFSQGWTVFY-SFHVURJKSA-N -1 3 284.739 3.493 20 0 CGADHM O=[S@](Cc1ccc(F)cc1Cl)c1ccc([O-])cc1 ZINC000108085930 527428249 /nfs/dbraw/zinc/42/82/49/527428249.db2.gz ZTAMXIVXBZKVKB-SFHVURJKSA-N -1 3 284.739 3.493 20 0 CGADHM CC(C)CCCSc1n[n-]c(-c2ccccn2)n1 ZINC000428095331 527705117 /nfs/dbraw/zinc/70/51/17/527705117.db2.gz WHGSVMFEXJAZMQ-UHFFFAOYSA-N -1 3 262.382 3.395 20 0 CGADHM CC1(C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000358872351 527985528 /nfs/dbraw/zinc/98/55/28/527985528.db2.gz GFJMWDAQCPVNKE-UHFFFAOYSA-N -1 3 294.203 3.072 20 0 CGADHM CC(C)c1ccc(C(=O)NC[C@H]2C[C@@H](C)O[C@H]2C)c([O-])c1 ZINC000412693495 528072914 /nfs/dbraw/zinc/07/29/14/528072914.db2.gz TUYSZLIILAFNBX-MBNYWOFBSA-N -1 3 291.391 3.059 20 0 CGADHM CC1CN(C(=O)c2cc(OCc3ccccc3)ccc2[O-])C1 ZINC000436641495 528273247 /nfs/dbraw/zinc/27/32/47/528273247.db2.gz WFMMUJPUEGJPBQ-UHFFFAOYSA-N -1 3 297.354 3.063 20 0 CGADHM CC(C)[C@@H](C(=O)[O-])[C@H](C)NCc1ccc(Cl)cc1F ZINC000424623758 528377873 /nfs/dbraw/zinc/37/78/73/528377873.db2.gz QAGOJFSQHHEERY-TVQRCGJNSA-N -1 3 287.762 3.314 20 0 CGADHM CC(C)[C@@H](CC(=O)[O-])NCc1ccc(F)cc1Cl ZINC000426810516 528425561 /nfs/dbraw/zinc/42/55/61/528425561.db2.gz ILLZSZZXTQNFLN-GFCCVEGCSA-N -1 3 273.735 3.068 20 0 CGADHM CC(C)[C@@H]1CCC[C@H](NC(=O)c2ccccc2[O-])C1 ZINC000436593799 528689574 /nfs/dbraw/zinc/68/95/74/528689574.db2.gz DSCWZCUJJXKTNH-OLZOCXBDSA-N -1 3 261.365 3.337 20 0 CGADHM CCCc1nnc(NC(=O)c2cc(CC)ccc2[O-])s1 ZINC000436547558 528775233 /nfs/dbraw/zinc/77/52/33/528775233.db2.gz RLROGGJAFSHSQY-UHFFFAOYSA-N -1 3 291.376 3.011 20 0 CGADHM CCCSC[C@@H](NCc1ccccc1Cl)C(=O)[O-] ZINC000426766548 528829611 /nfs/dbraw/zinc/82/96/11/528829611.db2.gz FLXNCNQODJCMEA-GFCCVEGCSA-N -1 3 287.812 3.026 20 0 CGADHM CCCC[C@H](NC(=O)c1ccc(O)cc1[O-])C1CCC1 ZINC000439057341 528983447 /nfs/dbraw/zinc/98/34/47/528983447.db2.gz KEYYQTNSKQNTCZ-AWEZNQCLSA-N -1 3 277.364 3.187 20 0 CGADHM CCO[N-]C(=O)Nc1cc(-c2cccnc2)ccc1C ZINC000365443387 529085642 /nfs/dbraw/zinc/08/56/42/529085642.db2.gz ZEGLEXJDWPCXQY-UHFFFAOYSA-N -1 3 271.320 3.130 20 0 CGADHM CC[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000512032426 535644973 /nfs/dbraw/zinc/64/49/73/535644973.db2.gz UPPZYMYXLVBCLL-RKDXNWHRSA-N -1 3 293.791 3.192 20 0 CGADHM CCc1cc(OC)ccc1C=Cc1nc(C)cc(=O)[n-]1 ZINC000486144020 536155886 /nfs/dbraw/zinc/15/58/86/536155886.db2.gz HRYYWJAKPRKCHF-VURMDHGXSA-N -1 3 270.332 3.232 20 0 CGADHM COc1cc(C(=O)N[C@H](C)CCC=C(C)C)ccc1[O-] ZINC000456058686 536513804 /nfs/dbraw/zinc/51/38/04/536513804.db2.gz KBLFGBXELPQZID-GFCCVEGCSA-N -1 3 277.364 3.266 20 0 CGADHM COc1cc(C)cc(C(=O)Nc2ccc(C)cc2F)c1[O-] ZINC000093907945 536632649 /nfs/dbraw/zinc/63/26/49/536632649.db2.gz IFZUITMQUXSUKY-UHFFFAOYSA-N -1 3 289.306 3.409 20 0 CGADHM COC1CCC(NCc2cccc([O-])c2Cl)CC1 ZINC000459698456 536737378 /nfs/dbraw/zinc/73/73/78/536737378.db2.gz ZCMQIRPKZOWOHJ-UHFFFAOYSA-N -1 3 269.772 3.093 20 0 CGADHM COCc1ccc(C(=O)N2CCCc3cccc([O-])c32)cc1 ZINC000155682529 536747952 /nfs/dbraw/zinc/74/79/52/536747952.db2.gz SAZKDMZWMZGZEG-UHFFFAOYSA-N -1 3 297.354 3.132 20 0 CGADHM COc1cc(C(=O)NCC2CCCCCC2)ccc1[O-] ZINC000456115329 536893536 /nfs/dbraw/zinc/89/35/36/536893536.db2.gz BMTOVTPNVZYRQK-UHFFFAOYSA-N -1 3 277.364 3.101 20 0 CGADHM CC(C)c1nnc(COC(=O)c2cc3ccsc3[n-]2)o1 ZINC000726994383 571699427 /nfs/dbraw/zinc/69/94/27/571699427.db2.gz NDSWAVGJKISKRU-UHFFFAOYSA-N -1 3 291.332 3.093 20 0 CGADHM COc1cccc([C@H]2C[C@H]2C(=O)[N-]OCc2ccccc2)c1 ZINC000730207695 571970908 /nfs/dbraw/zinc/97/09/08/571970908.db2.gz XYCADSBMQOJRRB-IAGOWNOFSA-N -1 3 297.354 3.047 20 0 CGADHM Cc1ccc(S[C@H](C)c2ccc(-c3nnn[n-]3)cc2)nc1 ZINC000737367841 572338680 /nfs/dbraw/zinc/33/86/80/572338680.db2.gz ADWUUBLEXISFMT-LLVKDONJSA-N -1 3 297.387 3.423 20 0 CGADHM Cc1ccc(S[C@H](C)c2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000737367841 572338683 /nfs/dbraw/zinc/33/86/83/572338683.db2.gz ADWUUBLEXISFMT-LLVKDONJSA-N -1 3 297.387 3.423 20 0 CGADHM c1ccc2c(c1)CCC[C@@H]2Nc1ccc(-c2nnn[n-]2)cc1 ZINC000738443589 572376448 /nfs/dbraw/zinc/37/64/48/572376448.db2.gz YKJUFJBGHDFOOF-INIZCTEOSA-N -1 3 291.358 3.356 20 0 CGADHM c1ccc2c(c1)CCC[C@@H]2Nc1ccc(-c2nn[n-]n2)cc1 ZINC000738443589 572376451 /nfs/dbraw/zinc/37/64/51/572376451.db2.gz YKJUFJBGHDFOOF-INIZCTEOSA-N -1 3 291.358 3.356 20 0 CGADHM C[C@@H](CNC(=O)NCc1ccc([O-])c(F)c1)C(C)(C)C ZINC000739020447 572399754 /nfs/dbraw/zinc/39/97/54/572399754.db2.gz RLUFCKWPYCINDK-JTQLQIEISA-N -1 3 282.359 3.013 20 0 CGADHM CN(CCCNC(=O)[O-])Cc1ccc(Cl)c(Cl)c1 ZINC000739681198 572422085 /nfs/dbraw/zinc/42/20/85/572422085.db2.gz DZKRKMGPFXFECI-UHFFFAOYSA-N -1 3 291.178 3.083 20 0 CGADHM CCCCCC[C@H](CC)C(=O)Nc1nnc(SC)[n-]1 ZINC000740925015 572468519 /nfs/dbraw/zinc/46/85/19/572468519.db2.gz FBTAGZHITCNVQV-JTQLQIEISA-N -1 3 284.429 3.462 20 0 CGADHM CCCCCC[C@H](CC)C(=O)Nc1nc(SC)n[n-]1 ZINC000740925015 572468521 /nfs/dbraw/zinc/46/85/21/572468521.db2.gz FBTAGZHITCNVQV-JTQLQIEISA-N -1 3 284.429 3.462 20 0 CGADHM CCCCCC[C@H](CC)C(=O)Nc1n[n-]c(SC)n1 ZINC000740925015 572468524 /nfs/dbraw/zinc/46/85/24/572468524.db2.gz FBTAGZHITCNVQV-JTQLQIEISA-N -1 3 284.429 3.462 20 0 CGADHM CC(C)(C)C(=O)[N-]OCc1csc(C2CCCC2)n1 ZINC000732806106 572484679 /nfs/dbraw/zinc/48/46/79/572484679.db2.gz VFMVTWNMYJKDLX-UHFFFAOYSA-N -1 3 282.409 3.395 20 0 CGADHM CC[C@H](c1ccc(F)cc1)N1CCC[C@H](CNC(=O)[O-])C1 ZINC000739278847 572540368 /nfs/dbraw/zinc/54/03/68/572540368.db2.gz OIWNTMJUKRXNDL-IUODEOHRSA-N -1 3 294.370 3.256 20 0 CGADHM O=c1ccnc(C=Cc2cccc(Br)c2)[n-]1 ZINC000742220482 572559129 /nfs/dbraw/zinc/55/91/29/572559129.db2.gz ODQXDWZSNYMCNZ-PLNGDYQASA-N -1 3 277.121 3.115 20 0 CGADHM CCSc1ccc(Cl)cc1[N-]C(=O)c1ncccn1 ZINC000742250106 572561981 /nfs/dbraw/zinc/56/19/81/572561981.db2.gz CUJLZZVNNPXYPI-UHFFFAOYSA-N -1 3 293.779 3.494 20 0 CGADHM CC(C)(C)Sc1ccc(N=c2ncnc3[nH][n-]cc2-3)cc1 ZINC000726787381 572598529 /nfs/dbraw/zinc/59/85/29/572598529.db2.gz PTIXPISLVWSSOL-UHFFFAOYSA-N -1 3 299.403 3.361 20 0 CGADHM CCCCSCc1nc(-c2ccc([O-])cc2)no1 ZINC000733733819 572599653 /nfs/dbraw/zinc/59/96/53/572599653.db2.gz SMLZKJONZKWOAN-UHFFFAOYSA-N -1 3 264.350 3.476 20 0 CGADHM CCc1cnc([N-]C(=O)c2scnc2Cl)s1 ZINC000742806899 572618982 /nfs/dbraw/zinc/61/89/82/572618982.db2.gz XRBSOVBCRKVTTQ-UHFFFAOYSA-N -1 3 273.770 3.068 20 0 CGADHM C[C@@H](CN(C)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000736003091 572759091 /nfs/dbraw/zinc/75/90/91/572759091.db2.gz WFLKRZJMWOWZSE-ZDUSSCGKSA-N -1 3 293.374 3.107 20 0 CGADHM C[C@@H](CN(C)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000736003091 572759096 /nfs/dbraw/zinc/75/90/96/572759096.db2.gz WFLKRZJMWOWZSE-ZDUSSCGKSA-N -1 3 293.374 3.107 20 0 CGADHM O=C(OCCCC1CCCC1)c1ccc([O-])cc1O ZINC000744499038 572759434 /nfs/dbraw/zinc/75/94/34/572759434.db2.gz PQZJEWAUBNSYQS-UHFFFAOYSA-N -1 3 264.321 3.225 20 0 CGADHM CCc1noc([C@H](C)OC(=O)c2cc3ccsc3[n-]2)n1 ZINC000744543187 572762180 /nfs/dbraw/zinc/76/21/80/572762180.db2.gz UDAYWUXQQAJWPD-ZETCQYMHSA-N -1 3 291.332 3.093 20 0 CGADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)cc1F)c1cccs1 ZINC000736140319 572769718 /nfs/dbraw/zinc/76/97/18/572769718.db2.gz UAJCBFIOBIKOEA-MRVPVSSYSA-N -1 3 289.339 3.240 20 0 CGADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cc1F)c1cccs1 ZINC000736140319 572769721 /nfs/dbraw/zinc/76/97/21/572769721.db2.gz UAJCBFIOBIKOEA-MRVPVSSYSA-N -1 3 289.339 3.240 20 0 CGADHM C[C@H]1CC(Nc2ccc(-c3nnn[n-]3)cc2)C[C@H](C)C1 ZINC000736222820 572773360 /nfs/dbraw/zinc/77/33/60/572773360.db2.gz FYICFZRIJXDHJO-GHMZBOCLSA-N -1 3 271.368 3.103 20 0 CGADHM C[C@H]1CC(Nc2ccc(-c3nn[n-]n3)cc2)C[C@H](C)C1 ZINC000736222820 572773362 /nfs/dbraw/zinc/77/33/62/572773362.db2.gz FYICFZRIJXDHJO-GHMZBOCLSA-N -1 3 271.368 3.103 20 0 CGADHM CCCCN(CC)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736457406 572794897 /nfs/dbraw/zinc/79/48/97/572794897.db2.gz UEIKXNLGFWPXIA-UHFFFAOYSA-N -1 3 279.775 3.147 20 0 CGADHM CCCCN(CC)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736457406 572794902 /nfs/dbraw/zinc/79/49/02/572794902.db2.gz UEIKXNLGFWPXIA-UHFFFAOYSA-N -1 3 279.775 3.147 20 0 CGADHM Cc1cccc(C(=O)N[C@@H](c2ccccn2)C(C)C)c1[O-] ZINC000736508283 572796590 /nfs/dbraw/zinc/79/65/90/572796590.db2.gz UYNLCDFHJYOJSC-OAHLLOKOSA-N -1 3 284.359 3.223 20 0 CGADHM CCSc1nc(-c2ccccc2)ccc1-c1nnn[n-]1 ZINC000736664939 572804159 /nfs/dbraw/zinc/80/41/59/572804159.db2.gz BDBVBVSOUDDISV-UHFFFAOYSA-N -1 3 283.360 3.041 20 0 CGADHM CCSc1nc(-c2ccccc2)ccc1-c1nn[n-]n1 ZINC000736664939 572804163 /nfs/dbraw/zinc/80/41/63/572804163.db2.gz BDBVBVSOUDDISV-UHFFFAOYSA-N -1 3 283.360 3.041 20 0 CGADHM CN(C(=O)c1cc([O-])c2ccccc2c1)[C@@H]1CC1(C)C ZINC000356059313 572842231 /nfs/dbraw/zinc/84/22/31/572842231.db2.gz WDGGUEMACTXCMR-OAHLLOKOSA-N -1 3 269.344 3.416 20 0 CGADHM CCC[C@@H]1CCCC[C@@H]1[N-]C(=O)C(F)(F)C(F)F ZINC000749375161 572995418 /nfs/dbraw/zinc/99/54/18/572995418.db2.gz FASSTWVFIBGAOI-BDAKNGLRSA-N -1 3 269.282 3.362 20 0 CGADHM Cc1ccc2c(CCC(=O)[N-]OCC(C)C)c[nH]c2c1 ZINC000750018149 573074388 /nfs/dbraw/zinc/07/43/88/573074388.db2.gz ILOYEZZFWCCXTL-UHFFFAOYSA-N -1 3 274.364 3.113 20 0 CGADHM COCCc1ccc(Oc2nc3ccccc3c(=O)[n-]2)cc1 ZINC000750530933 573146194 /nfs/dbraw/zinc/14/61/94/573146194.db2.gz UYHCTKFVPQHVOK-UHFFFAOYSA-N -1 3 296.326 3.317 20 0 CGADHM CC(C)[C@H](C)Sc1ncc(-c2nnn[n-]2)cc1Cl ZINC000095136999 599099372 /nfs/dbraw/zinc/09/93/72/599099372.db2.gz NZIXHYLKFFXJOF-ZETCQYMHSA-N -1 3 283.788 3.052 20 0 CGADHM CC(C)[C@H](C)Sc1ncc(-c2nn[n-]n2)cc1Cl ZINC000095136999 599099374 /nfs/dbraw/zinc/09/93/74/599099374.db2.gz NZIXHYLKFFXJOF-ZETCQYMHSA-N -1 3 283.788 3.052 20 0 CGADHM O=C([O-])C[C@@H]1CCCN(Cc2ccc(Cl)s2)C1 ZINC000054300211 597071828 /nfs/dbraw/zinc/07/18/28/597071828.db2.gz XBAMWYWRHNVKPD-VIFPVBQESA-N -1 3 273.785 3.088 20 0 CGADHM Clc1cccc(NCc2cc(-c3nnn[n-]3)cs2)c1 ZINC000822585752 607310870 /nfs/dbraw/zinc/31/08/70/607310870.db2.gz MOODFJFYSHECAA-UHFFFAOYSA-N -1 3 291.767 3.194 20 0 CGADHM Clc1cccc(NCc2cc(-c3nn[n-]n3)cs2)c1 ZINC000822585752 607310871 /nfs/dbraw/zinc/31/08/71/607310871.db2.gz MOODFJFYSHECAA-UHFFFAOYSA-N -1 3 291.767 3.194 20 0 CGADHM C[C@@H]1CCC[C@@H](C)N(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000820697643 599585427 /nfs/dbraw/zinc/58/54/27/599585427.db2.gz JUQCFEQMMADZQO-GHMZBOCLSA-N -1 3 289.358 3.021 20 0 CGADHM C[C@@H]1CCC[C@@H](C)N(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000820697643 599585429 /nfs/dbraw/zinc/58/54/29/599585429.db2.gz JUQCFEQMMADZQO-GHMZBOCLSA-N -1 3 289.358 3.021 20 0 CGADHM O=C([O-])c1cccc(CN[C@H]2CCc3ccc(F)cc32)c1 ZINC000821551666 598192239 /nfs/dbraw/zinc/19/22/39/598192239.db2.gz RKLYGLFPPGSAGY-INIZCTEOSA-N -1 3 285.318 3.301 20 0 CGADHM Clc1ccc(-c2nnn[n-]2)c(NC2CCCCC2)c1 ZINC000737570084 599393680 /nfs/dbraw/zinc/39/36/80/599393680.db2.gz AOIKCUYTZMYQLA-UHFFFAOYSA-N -1 3 277.759 3.265 20 0 CGADHM Clc1ccc(-c2nn[n-]n2)c(NC2CCCCC2)c1 ZINC000737570084 599393682 /nfs/dbraw/zinc/39/36/82/599393682.db2.gz AOIKCUYTZMYQLA-UHFFFAOYSA-N -1 3 277.759 3.265 20 0 CGADHM C[C@H](Nc1cccc(F)c1-c1nnn[n-]1)C1CCCCC1 ZINC000820462307 599578808 /nfs/dbraw/zinc/57/88/08/599578808.db2.gz XFLSFBGHNNLDBQ-JTQLQIEISA-N -1 3 289.358 3.387 20 0 CGADHM C[C@H](Nc1cccc(F)c1-c1nn[n-]n1)C1CCCCC1 ZINC000820462307 599578811 /nfs/dbraw/zinc/57/88/11/599578811.db2.gz XFLSFBGHNNLDBQ-JTQLQIEISA-N -1 3 289.358 3.387 20 0 CGADHM Cc1cccc(C)c1CNc1cccc(-c2nnn[n-]2)c1 ZINC000215558252 599580205 /nfs/dbraw/zinc/58/02/05/599580205.db2.gz YDJDSSLCRSURLA-UHFFFAOYSA-N -1 3 279.347 3.096 20 0 CGADHM Cc1cccc(C)c1CNc1cccc(-c2nn[n-]n2)c1 ZINC000215558252 599580208 /nfs/dbraw/zinc/58/02/08/599580208.db2.gz YDJDSSLCRSURLA-UHFFFAOYSA-N -1 3 279.347 3.096 20 0 CGADHM C[C@@](NCc1c(Cl)cccc1Cl)(C(=O)[O-])C1CC1 ZINC000827735671 601035423 /nfs/dbraw/zinc/03/54/23/601035423.db2.gz XKHAFINQUMNWJL-ZDUSSCGKSA-N -1 3 288.174 3.336 20 0 CGADHM CCOc1cc(C)ccc1CN[C@H](C(=O)[O-])c1ccccc1 ZINC000830044587 601644093 /nfs/dbraw/zinc/64/40/93/601644093.db2.gz ODBFQSCJSGECHA-KRWDZBQOSA-N -1 3 299.370 3.309 20 0 CGADHM Cc1cccc(C)c1CN[C@@H](C(=O)[O-])c1ccccc1F ZINC000832964499 602178452 /nfs/dbraw/zinc/17/84/52/602178452.db2.gz LJMWUYUVRGMWET-MRXNPFEDSA-N -1 3 287.334 3.358 20 0 CGADHM CC(C)(NCc1ccc(NC(=O)[O-])nc1)c1ccccc1 ZINC000824034914 603543599 /nfs/dbraw/zinc/54/35/99/603543599.db2.gz KCKFGQVHXMGSIU-UHFFFAOYSA-N -1 3 285.347 3.196 20 0 CGADHM CN(Cc1ccccc1Cl)C1CCC(NC(=O)[O-])CC1 ZINC000828386572 603789201 /nfs/dbraw/zinc/78/92/01/603789201.db2.gz CBCLCDXBVLFNPJ-UHFFFAOYSA-N -1 3 296.798 3.351 20 0 CGADHM C[C@H]1C[C@@H](N[C@H]2CCN(C(=O)[O-])C2)c2ccsc2S1 ZINC000829820811 604316701 /nfs/dbraw/zinc/31/67/01/604316701.db2.gz JEPXHENJKRXQEP-ATZCPNFKSA-N -1 3 298.433 3.015 20 0 CGADHM O=C([O-])c1cc(CN(Cc2ccc(F)cc2)C2CC2)c[nH]1 ZINC000833296400 604474655 /nfs/dbraw/zinc/47/46/55/604474655.db2.gz BTEAKDOOUSKBSE-UHFFFAOYSA-N -1 3 288.322 3.017 20 0 CGADHM CC(C)N(CCC(=O)[O-])Cc1cscc1Cl ZINC000833497474 604643771 /nfs/dbraw/zinc/64/37/71/604643771.db2.gz APRRGYSWKWMTRU-UHFFFAOYSA-N -1 3 261.774 3.087 20 0 CGADHM CCc1ccc([C@H](C)N[C@@H](C(=O)[O-])c2cccnc2)cc1 ZINC000830238970 604986259 /nfs/dbraw/zinc/98/62/59/604986259.db2.gz VAJRBEXEYDFSTC-BLLLJJGKSA-N -1 3 284.359 3.121 20 0 CGADHM CCc1ccc([C@@H](C)NCc2ccc(C(=O)[O-])[nH]2)cc1 ZINC000833670142 605115834 /nfs/dbraw/zinc/11/58/34/605115834.db2.gz LMLWLUGFMVHLMG-LLVKDONJSA-N -1 3 272.348 3.126 20 0 CGADHM CCc1noc(C)c1[C@H](C)NCC(CC)(CC)NC(=O)[O-] ZINC000827662645 605181536 /nfs/dbraw/zinc/18/15/36/605181536.db2.gz GNZMOQFCWQSJOU-JTQLQIEISA-N -1 3 297.399 3.022 20 0 CGADHM CCc1cnccc1[C@H](C)NCc1ccsc1C(=O)[O-] ZINC000833673782 605270858 /nfs/dbraw/zinc/27/08/58/605270858.db2.gz NCQZOTRDVDXJFL-JTQLQIEISA-N -1 3 290.388 3.255 20 0 CGADHM C[C@@H]1c2ccccc2CN1c1cccc(F)c1-c1nnn[n-]1 ZINC000820825935 606137619 /nfs/dbraw/zinc/13/76/19/606137619.db2.gz HPDLCZUWXKTSLX-SNVBAGLBSA-N -1 3 295.321 3.087 20 0 CGADHM C[C@@H]1c2ccccc2CN1c1cccc(F)c1-c1nn[n-]n1 ZINC000820825935 606137620 /nfs/dbraw/zinc/13/76/20/606137620.db2.gz HPDLCZUWXKTSLX-SNVBAGLBSA-N -1 3 295.321 3.087 20 0 CGADHM FC(F)(F)c1ccc(NCC2CCC2)c(-c2nnn[n-]2)c1 ZINC000822729241 606176325 /nfs/dbraw/zinc/17/63/25/606176325.db2.gz XFVDLZDIWPDJEZ-UHFFFAOYSA-N -1 3 297.284 3.098 20 0 CGADHM FC(F)(F)c1ccc(NCC2CCC2)c(-c2nn[n-]n2)c1 ZINC000822729241 606176326 /nfs/dbraw/zinc/17/63/26/606176326.db2.gz XFVDLZDIWPDJEZ-UHFFFAOYSA-N -1 3 297.284 3.098 20 0 CGADHM CCC[C@H](Nc1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC000821022726 606212833 /nfs/dbraw/zinc/21/28/33/606212833.db2.gz UCDXXBGVFGWFEX-AWEZNQCLSA-N -1 3 294.362 3.215 20 0 CGADHM CCC[C@H](Nc1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC000821022726 606212834 /nfs/dbraw/zinc/21/28/34/606212834.db2.gz UCDXXBGVFGWFEX-AWEZNQCLSA-N -1 3 294.362 3.215 20 0 CGADHM Cc1cc(C)c(NCc2cccc(-c3nnn[n-]3)c2)c(C)c1 ZINC000822194412 606441974 /nfs/dbraw/zinc/44/19/74/606441974.db2.gz WJXWIDXREJYWFX-UHFFFAOYSA-N -1 3 293.374 3.404 20 0 CGADHM Cc1cc(C)c(NCc2cccc(-c3nn[n-]n3)c2)c(C)c1 ZINC000822194412 606441976 /nfs/dbraw/zinc/44/19/76/606441976.db2.gz WJXWIDXREJYWFX-UHFFFAOYSA-N -1 3 293.374 3.404 20 0 CGADHM c1cc(SCC2CCCC2)cc(-c2nnn[n-]2)c1 ZINC000823761998 607016332 /nfs/dbraw/zinc/01/63/32/607016332.db2.gz DEZCAIQJRZSCTH-UHFFFAOYSA-N -1 3 260.366 3.149 20 0 CGADHM c1cc(SCC2CCCC2)cc(-c2nn[n-]n2)c1 ZINC000823761998 607016333 /nfs/dbraw/zinc/01/63/33/607016333.db2.gz DEZCAIQJRZSCTH-UHFFFAOYSA-N -1 3 260.366 3.149 20 0 CGADHM C[C@H](COc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000820286376 607236417 /nfs/dbraw/zinc/23/64/17/607236417.db2.gz ATNYAUHOBMQUCZ-GFCCVEGCSA-N -1 3 280.331 3.049 20 0 CGADHM CC[C@H](Nc1ccc2cc(-c3nnn[n-]3)ccc2n1)C(C)C ZINC000825148530 608223169 /nfs/dbraw/zinc/22/31/69/608223169.db2.gz QRVDHSONDGIUTC-ZDUSSCGKSA-N -1 3 296.378 3.261 20 0 CGADHM CC[C@H](Nc1ccc2cc(-c3nn[n-]n3)ccc2n1)C(C)C ZINC000825148530 608223170 /nfs/dbraw/zinc/22/31/70/608223170.db2.gz QRVDHSONDGIUTC-ZDUSSCGKSA-N -1 3 296.378 3.261 20 0 CGADHM CCC1(CNc2ccc3cc(-c4nnn[n-]4)ccc3n2)CC1 ZINC000825171757 608231924 /nfs/dbraw/zinc/23/19/24/608231924.db2.gz VMCYAFHTKJCGEW-UHFFFAOYSA-N -1 3 294.362 3.017 20 0 CGADHM CCC1(CNc2ccc3cc(-c4nn[n-]n4)ccc3n2)CC1 ZINC000825171757 608231926 /nfs/dbraw/zinc/23/19/26/608231926.db2.gz VMCYAFHTKJCGEW-UHFFFAOYSA-N -1 3 294.362 3.017 20 0 CGADHM CSCCS[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826228836 608404173 /nfs/dbraw/zinc/40/41/73/608404173.db2.gz CMTXSTWITJMTBS-SECBINFHSA-N -1 3 280.422 3.024 20 0 CGADHM CSCCS[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826228836 608404174 /nfs/dbraw/zinc/40/41/74/608404174.db2.gz CMTXSTWITJMTBS-SECBINFHSA-N -1 3 280.422 3.024 20 0 CGADHM CCCC[C@@H](CCC)Nc1cnccc1-c1nnn[n-]1 ZINC000825260852 608789078 /nfs/dbraw/zinc/78/90/78/608789078.db2.gz RVRWEEFOGNYGIN-LLVKDONJSA-N -1 3 274.372 3.033 20 0 CGADHM CCCC[C@@H](CCC)Nc1cnccc1-c1nn[n-]n1 ZINC000825260852 608789080 /nfs/dbraw/zinc/78/90/80/608789080.db2.gz RVRWEEFOGNYGIN-LLVKDONJSA-N -1 3 274.372 3.033 20 0 CGADHM c1cc(NCCC2=CCCCC2)cc(-c2nnn[n-]2)c1 ZINC000823867960 609207137 /nfs/dbraw/zinc/20/71/37/609207137.db2.gz KTEUILLZWVIYRN-UHFFFAOYSA-N -1 3 269.352 3.169 20 0 CGADHM c1cc(NCCC2=CCCCC2)cc(-c2nn[n-]n2)c1 ZINC000823867960 609207138 /nfs/dbraw/zinc/20/71/38/609207138.db2.gz KTEUILLZWVIYRN-UHFFFAOYSA-N -1 3 269.352 3.169 20 0 CGADHM Cc1cc(CNc2cccc(-c3nnn[n-]3)c2)c(C)s1 ZINC000049686344 609473016 /nfs/dbraw/zinc/47/30/16/609473016.db2.gz LTZIYBBHSQZLEC-UHFFFAOYSA-N -1 3 285.376 3.157 20 0 CGADHM Cc1cc(CNc2cccc(-c3nn[n-]n3)c2)c(C)s1 ZINC000049686344 609473019 /nfs/dbraw/zinc/47/30/19/609473019.db2.gz LTZIYBBHSQZLEC-UHFFFAOYSA-N -1 3 285.376 3.157 20 0 CGADHM CSCC(C)(C)NC(=O)c1cc2sccc2c([O-])c1 ZINC000890873361 617886193 /nfs/dbraw/zinc/88/61/93/617886193.db2.gz GWFRIOQQNHJFJP-UHFFFAOYSA-N -1 3 295.429 3.478 20 0 CGADHM O=C1[N-]C(=O)C(=CNc2ccccc2Cl)c2ccccc21 ZINC000255207843 618079205 /nfs/dbraw/zinc/07/92/05/618079205.db2.gz CNKOZDCRJBROHV-XFXZXTDPSA-N -1 3 298.729 3.063 20 0 CGADHM O=C1[N-]C(=O)/C(=C\c2coc3ccccc23)c2ccccc21 ZINC000255290963 618162767 /nfs/dbraw/zinc/16/27/67/618162767.db2.gz KONYNHGFWWYZFL-DHDCSXOGSA-N -1 3 289.290 3.243 20 0 CGADHM O=C([N-]c1ccon1)c1csc(-c2cccs2)n1 ZINC000179529270 618795101 /nfs/dbraw/zinc/79/51/01/618795101.db2.gz FWWFPWDDDUEHDI-UHFFFAOYSA-N -1 3 277.330 3.112 20 0 CGADHM CC[C@H](C)OC(=O)c1cccc2[n-]c(C(F)F)nc21 ZINC000924079952 618847421 /nfs/dbraw/zinc/84/74/21/618847421.db2.gz ASHYIGKBFLQHJM-ZETCQYMHSA-N -1 3 268.263 3.456 20 0 CGADHM CC(=O)CCCOC(=O)c1cccc2[n-]c(C(F)F)nc21 ZINC000924083912 618894189 /nfs/dbraw/zinc/89/41/89/618894189.db2.gz NTYVURHAUIXYKX-UHFFFAOYSA-N -1 3 296.273 3.027 20 0 CGADHM CC[C@](C)(NCc1ccc([O-])c(F)c1)c1nccs1 ZINC000892992219 618971969 /nfs/dbraw/zinc/97/19/69/618971969.db2.gz SQXDNQCWVDNJIV-AWEZNQCLSA-N -1 3 280.368 3.403 20 0 CGADHM C[C@@H]1C[C@H]1C(=O)COC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000909335345 619150701 /nfs/dbraw/zinc/15/07/01/619150701.db2.gz NLEHQZSPZAEIHA-HTRCEHHLSA-N -1 3 297.763 3.265 20 0 CGADHM Cc1ccc(CCCCC(=O)[N-]OCc2ccccn2)cc1 ZINC000909529700 619905636 /nfs/dbraw/zinc/90/56/36/619905636.db2.gz PRZTVMROZCJPOZ-UHFFFAOYSA-N -1 3 298.386 3.351 20 0 CGADHM Cc1ccc(C(C)(C)NCc2cccc(C(=O)[O-])c2)cn1 ZINC000263399996 620315735 /nfs/dbraw/zinc/31/57/35/620315735.db2.gz HTYKWJZMHMDRCR-UHFFFAOYSA-N -1 3 284.359 3.113 20 0 CGADHM C[C@H]1[C@H](C(F)(F)F)CCN1Cc1ccc(C(=O)[O-])cc1 ZINC000263447664 620319775 /nfs/dbraw/zinc/31/97/75/620319775.db2.gz YIDFKBSBKUTXBH-JOYOIKCWSA-N -1 3 287.281 3.158 20 0 CGADHM CCc1ccc(C(=O)Nc2ccc(O)c(C)c2)c([O-])c1 ZINC000787135421 620515653 /nfs/dbraw/zinc/51/56/53/620515653.db2.gz XBYKGUVWEMHNKN-UHFFFAOYSA-N -1 3 271.316 3.221 20 0 CGADHM Cc1cccc(CO[N-]C(=O)[C@]2(C)CC=C(C)CC2)n1 ZINC000898931430 620610341 /nfs/dbraw/zinc/61/03/41/620610341.db2.gz REATVYTTXIGQSM-MRXNPFEDSA-N -1 3 274.364 3.074 20 0 CGADHM CC(C)c1c[nH]c(C=Cc2cc(=O)[n-]c(C3CC3)n2)n1 ZINC000901506400 620905353 /nfs/dbraw/zinc/90/53/53/620905353.db2.gz LSKMUVFFYVNVQF-AATRIKPKSA-N -1 3 270.336 3.077 20 0 CGADHM C[C@H](N[C@H]1CC[C@@H]1C1CCC1)c1ncc(C(=O)[O-])s1 ZINC000901907952 621066432 /nfs/dbraw/zinc/06/64/32/621066432.db2.gz LSIWKZSCITUUKR-GDPRMGEGSA-N -1 3 280.393 3.071 20 0 CGADHM O=C([O-])[C@@H]1C[C@@H](C2CCCCC2)CN1Cc1ccco1 ZINC000902046620 621116061 /nfs/dbraw/zinc/11/60/61/621116061.db2.gz OERNHQKPYGGZNG-HIFRSBDPSA-N -1 3 277.364 3.135 20 0 CGADHM C[C@H](N[C@@H](c1ccco1)c1ccccc1)[C@@H]1C[C@H]1C(=O)[O-] ZINC000902083737 621129829 /nfs/dbraw/zinc/12/98/29/621129829.db2.gz ZYEGZQMPRKSULF-YYWXWVFPSA-N -1 3 285.343 3.068 20 0 CGADHM O=C([O-])c1cc(CN[C@H]2CCc3cc(F)ccc32)cs1 ZINC000902170704 621183804 /nfs/dbraw/zinc/18/38/04/621183804.db2.gz FTMRLPIKSIEUTM-ZDUSSCGKSA-N -1 3 291.347 3.363 20 0 CGADHM CCc1nc(CN[C@H](C)CC(C)(C)CC(=O)[O-])cs1 ZINC000902235467 621206074 /nfs/dbraw/zinc/20/60/74/621206074.db2.gz VNRKVGXFPHQPKW-SNVBAGLBSA-N -1 3 284.425 3.075 20 0 CGADHM O=C([O-])/C=C/c1ccc(CN[C@@H]2CCCC(F)(F)C2)o1 ZINC000902306755 621247466 /nfs/dbraw/zinc/24/74/66/621247466.db2.gz DMDVAKKXERQSRQ-BRAIEQGRSA-N -1 3 285.290 3.045 20 0 CGADHM CC[C@@H](CC(F)(F)F)NCc1cc(C(=O)[O-])oc1C ZINC000902336861 621271601 /nfs/dbraw/zinc/27/16/01/621271601.db2.gz QLPRGAXGWFCZLL-VIFPVBQESA-N -1 3 279.258 3.107 20 0 CGADHM CO[C@]1(C)CCCN(Cc2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC000902428202 621314882 /nfs/dbraw/zinc/31/48/82/621314882.db2.gz LJQDIHCFXICJMO-OAHLLOKOSA-N -1 3 297.782 3.039 20 0 CGADHM COC/C(C)=C/CO[N-]C(=O)Cc1cccc2ccccc21 ZINC000902710306 621404950 /nfs/dbraw/zinc/40/49/50/621404950.db2.gz DWEWNQHGXSPPPS-GXDHUFHOSA-N -1 3 299.370 3.023 20 0 CGADHM C[C@H](c1nc2ccccc2s1)N(C)C[C@@H]1C[C@H]1C(=O)[O-] ZINC000903887692 621823149 /nfs/dbraw/zinc/82/31/49/621823149.db2.gz AECXHXPBOBHRLH-OUAUKWLOSA-N -1 3 290.388 3.010 20 0 CGADHM O=C([O-])c1ccc2c(c1)OCCN(CCCC1CCC1)C2 ZINC000903959245 621836973 /nfs/dbraw/zinc/83/69/73/621836973.db2.gz ZZXPXLKZNLHRQN-UHFFFAOYSA-N -1 3 289.375 3.160 20 0 CGADHM O=C([O-])c1ccc(CN[C@@H](c2ccccc2)C2CCC2)nc1 ZINC000905723211 622100270 /nfs/dbraw/zinc/10/02/70/622100270.db2.gz AWNNOOATNSCYCC-KRWDZBQOSA-N -1 3 296.370 3.411 20 0 CGADHM CCc1oc(CNC2(C)C(C)(C)C2(C)C)cc1C(=O)[O-] ZINC000905810719 622113167 /nfs/dbraw/zinc/11/31/67/622113167.db2.gz PBHGGSLFTKKKMW-UHFFFAOYSA-N -1 3 279.380 3.455 20 0 CGADHM COc1cccc([O-])c1C(=O)N1CCCC2(CCCC2)C1 ZINC000907612290 622305203 /nfs/dbraw/zinc/30/52/03/622305203.db2.gz DHQBXKXMMMJYMN-UHFFFAOYSA-N -1 3 289.375 3.197 20 0 CGADHM CC(C)[C@@H]([N-]C(=O)C(F)(F)C(F)F)c1ccccc1 ZINC000226600880 622984364 /nfs/dbraw/zinc/98/43/64/622984364.db2.gz YFQYABZOCWRXMP-SNVBAGLBSA-N -1 3 277.261 3.400 20 0 CGADHM CCC[C@H](C)CN1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000227030564 623006840 /nfs/dbraw/zinc/00/68/40/623006840.db2.gz XYMAODQDEHQUEA-WFASDCNBSA-N -1 3 261.365 3.107 20 0 CGADHM CC(C)(NC(=O)c1ccccc1[O-])c1ccc(F)cc1 ZINC000169822594 623060588 /nfs/dbraw/zinc/06/05/88/623060588.db2.gz VLZPMYKRGYUFDM-UHFFFAOYSA-N -1 3 273.307 3.196 20 0 CGADHM C[C@@H]1C[C@@H](CC(=O)[N-]OCC(F)F)CC(C)(C)C1 ZINC000759324735 623527927 /nfs/dbraw/zinc/52/79/27/623527927.db2.gz PYZWBEMKKHVDBC-ZJUUUORDSA-N -1 3 263.328 3.152 20 0 CGADHM Cc1ccc(-c2cc(C(=O)OC3CCCCC3)n[n-]2)o1 ZINC000920105016 624448007 /nfs/dbraw/zinc/44/80/07/624448007.db2.gz BTVVVOIQGXALBL-UHFFFAOYSA-N -1 3 274.320 3.468 20 0 CGADHM Cc1ccc(-c2cc(C(=O)OC3CCCCC3)[n-]n2)o1 ZINC000920105016 624448009 /nfs/dbraw/zinc/44/80/09/624448009.db2.gz BTVVVOIQGXALBL-UHFFFAOYSA-N -1 3 274.320 3.468 20 0 CGADHM Cc1ccc(OC[C@H](C)NC(=O)c2ccc(C)cc2[O-])cc1 ZINC000921288407 624579933 /nfs/dbraw/zinc/57/99/33/624579933.db2.gz XUARGQXLFXSCDZ-AWEZNQCLSA-N -1 3 299.370 3.206 20 0 CGADHM CC(C)[C@H](NCc1ccc(C(=O)[O-])o1)c1ccccc1 ZINC000071380851 625084576 /nfs/dbraw/zinc/08/45/76/625084576.db2.gz FTRYJSAMZKLEIC-HNNXBMFYSA-N -1 3 273.332 3.465 20 0 CGADHM N#Cc1ccccc1/C=C/C(=O)Nc1ccc([O-])cc1F ZINC000186286191 625779445 /nfs/dbraw/zinc/77/94/45/625779445.db2.gz DYTIXPXIPCRCOY-VMPITWQZSA-N -1 3 282.274 3.055 20 0 CGADHM O=C(OC/C=C/Cl)c1cc(F)cc(Cl)c1[O-] ZINC000751732376 626402047 /nfs/dbraw/zinc/40/20/47/626402047.db2.gz RWHYXEKBELUAFR-OWOJBTEDSA-N -1 3 265.067 3.094 20 0 CGADHM CC[C@@H](C)NC(=S)Nc1ccc(Cl)cc1[O-] ZINC000753902050 626468204 /nfs/dbraw/zinc/46/82/04/626468204.db2.gz OCLYUIQMAJZUBH-SSDOTTSWSA-N -1 3 258.774 3.131 20 0 CGADHM CSCCCNC(=S)Nc1ccc(Cl)cc1[O-] ZINC000753902925 626468488 /nfs/dbraw/zinc/46/84/88/626468488.db2.gz RMZZHIRJASYUFS-UHFFFAOYSA-N -1 3 290.841 3.085 20 0 CGADHM O=C(Nc1ccc(Cl)cc1[O-])c1ccnc(Cl)c1 ZINC000754487441 626573238 /nfs/dbraw/zinc/57/32/38/626573238.db2.gz HYNGFVSPHMIEJI-UHFFFAOYSA-N -1 3 283.114 3.346 20 0 CGADHM O=C([O-])[C@H]1C[C@@H](NCc2cc(Cl)sc2Cl)C1 ZINC000874044963 634508266 /nfs/dbraw/zinc/50/82/66/634508266.db2.gz MNNBYCUDXMBWGY-IAQIWYKVSA-N -1 3 280.176 3.008 20 0 CGADHM C[C@]1(C(=O)[N-]OCCC(F)(F)F)C[C@@H]1c1ccccc1 ZINC000839731656 626783373 /nfs/dbraw/zinc/78/33/73/626783373.db2.gz UBEUCMMJTTXOFO-YPMHNXCESA-N -1 3 287.281 3.180 20 0 CGADHM CCc1nnc([N-]C(=O)c2cc(Cl)cs2)s1 ZINC000757781111 626807949 /nfs/dbraw/zinc/80/79/49/626807949.db2.gz NCZAKERQFNOONB-UHFFFAOYSA-N -1 3 273.770 3.068 20 0 CGADHM CC(C)c1ncc(/C=C2\C(=O)[N-]C(=O)c3ccccc32)s1 ZINC000758430394 626842885 /nfs/dbraw/zinc/84/28/85/626842885.db2.gz RTGXIHROUZUZES-QPEQYQDCSA-N -1 3 298.367 3.077 20 0 CGADHM Cc1cc(=O)[n-]c(CSc2ccc(F)cc2F)n1 ZINC000761859170 627067685 /nfs/dbraw/zinc/06/76/85/627067685.db2.gz CBMXMKUKAQCKJR-UHFFFAOYSA-N -1 3 268.288 3.061 20 0 CGADHM CCOCCC1(C(=O)[N-]OCc2ccccc2)CCCC1 ZINC000763185491 627144185 /nfs/dbraw/zinc/14/41/85/627144185.db2.gz FCUTXCVZLKEDPU-UHFFFAOYSA-N -1 3 291.391 3.221 20 0 CGADHM Cc1ccc(CSCc2nc(C)cc(=O)[n-]2)cc1 ZINC000763214370 627145609 /nfs/dbraw/zinc/14/56/09/627145609.db2.gz BCWOVKFDSUYRLR-UHFFFAOYSA-N -1 3 260.362 3.232 20 0 CGADHM CCc1ccc([O-])c(C(=O)N(CC)CCc2ccccn2)c1 ZINC000764351664 627203604 /nfs/dbraw/zinc/20/36/04/627203604.db2.gz NRUFLHHJABTQBV-UHFFFAOYSA-N -1 3 298.386 3.054 20 0 CGADHM O=c1ccnc(C=Cc2cccc(OCC(F)(F)F)c2)[n-]1 ZINC000764442925 627207744 /nfs/dbraw/zinc/20/77/44/627207744.db2.gz SLJYIOFSJUXPFP-PLNGDYQASA-N -1 3 296.248 3.294 20 0 CGADHM Cc1cccnc1NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000769701310 627573182 /nfs/dbraw/zinc/57/31/82/627573182.db2.gz JELYRRLNVKCCHP-UHFFFAOYSA-N -1 3 298.342 3.061 20 0 CGADHM CCc1cccc(C(=O)Nc2n[nH]c(C3CC3)c2C)c1[O-] ZINC000769750491 627576221 /nfs/dbraw/zinc/57/62/21/627576221.db2.gz BYJCYTDNULKXKE-UHFFFAOYSA-N -1 3 285.347 3.116 20 0 CGADHM CSC[C@H](C)COC(=O)c1cc(-c2ccc(C)o2)[n-]n1 ZINC000835672508 634586890 /nfs/dbraw/zinc/58/68/90/634586890.db2.gz XFPTTXYLEYQCRG-SECBINFHSA-N -1 3 294.376 3.134 20 0 CGADHM CSC[C@H](C)COC(=O)c1cc(-c2ccc(C)o2)n[n-]1 ZINC000835672508 634586897 /nfs/dbraw/zinc/58/68/97/634586897.db2.gz XFPTTXYLEYQCRG-SECBINFHSA-N -1 3 294.376 3.134 20 0 CGADHM CC(C)c1nsc(NC(=O)c2cc([O-])ccc2Cl)n1 ZINC000874694383 634594187 /nfs/dbraw/zinc/59/41/87/634594187.db2.gz OUGXETDHVNRJGI-UHFFFAOYSA-N -1 3 297.767 3.273 20 0 CGADHM COc1cccc(F)c1C(=O)[N-]c1nc(C(C)C)ns1 ZINC000874694813 634594251 /nfs/dbraw/zinc/59/42/51/634594251.db2.gz CNSCCWBLRICTIC-UHFFFAOYSA-N -1 3 295.339 3.062 20 0 CGADHM CCc1cc(=O)[n-]c(CN[C@](C)(CC)c2ccccc2)n1 ZINC000775389683 628089329 /nfs/dbraw/zinc/08/93/29/628089329.db2.gz XFMBMVNLLMGOKW-QGZVFWFLSA-N -1 3 285.391 3.160 20 0 CGADHM CSCC[C@H](C)OC(=O)c1cc(-c2ccc(C)o2)[n-]n1 ZINC000835821705 634647012 /nfs/dbraw/zinc/64/70/12/634647012.db2.gz QEIPXKQRBVEGKB-JTQLQIEISA-N -1 3 294.376 3.277 20 0 CGADHM CSCC[C@H](C)OC(=O)c1cc(-c2ccc(C)o2)n[n-]1 ZINC000835821705 634647017 /nfs/dbraw/zinc/64/70/17/634647017.db2.gz QEIPXKQRBVEGKB-JTQLQIEISA-N -1 3 294.376 3.277 20 0 CGADHM O=C(CCCc1ccsc1)[N-]OC1CCCCC1 ZINC000777961101 628315581 /nfs/dbraw/zinc/31/55/81/628315581.db2.gz FUCAALVIHJJOSJ-UHFFFAOYSA-N -1 3 267.394 3.451 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])[C@H](F)Cc1ccccc1 ZINC000778402585 628349500 /nfs/dbraw/zinc/34/95/00/628349500.db2.gz CBVAIXAQEPXDLF-GFCCVEGCSA-N -1 3 277.270 3.051 20 0 CGADHM C[C@H](OC(=O)c1cnn[n-]1)c1cc(Cl)ccc1Cl ZINC000805607946 628351875 /nfs/dbraw/zinc/35/18/75/628351875.db2.gz UTHAAPJMASLBEB-LURJTMIESA-N -1 3 286.118 3.030 20 0 CGADHM C[C@H](OC(=O)c1c[n-]nn1)c1cc(Cl)ccc1Cl ZINC000805607946 628351878 /nfs/dbraw/zinc/35/18/78/628351878.db2.gz UTHAAPJMASLBEB-LURJTMIESA-N -1 3 286.118 3.030 20 0 CGADHM O=C(OCc1ccn(C2CCCC2)n1)c1cc2occc2[n-]1 ZINC000786027409 628907963 /nfs/dbraw/zinc/90/79/63/628907963.db2.gz DUBYRJZRNJVRKK-UHFFFAOYSA-N -1 3 299.330 3.430 20 0 CGADHM O=C(OCc1cc(F)cc(F)c1)c1cc2occc2[n-]1 ZINC000786031746 628908982 /nfs/dbraw/zinc/90/89/82/628908982.db2.gz OZLAQNORWFFZME-UHFFFAOYSA-N -1 3 277.226 3.396 20 0 CGADHM O=C(CCCc1ccc([O-])c(F)c1)NC12CCC(CC1)C2 ZINC000787258436 629005260 /nfs/dbraw/zinc/00/52/60/629005260.db2.gz BDWVWALWRXLJSG-UHFFFAOYSA-N -1 3 291.366 3.303 20 0 CGADHM C[C@H](NC(=O)c1cc2sccc2c([O-])c1)c1cccnc1 ZINC000788266108 629043731 /nfs/dbraw/zinc/04/37/31/629043731.db2.gz NIDFFXVQRBSNTH-JTQLQIEISA-N -1 3 298.367 3.493 20 0 CGADHM O=C(NOCc1ccccc1)c1cc2sccc2c([O-])c1 ZINC000788274358 629044443 /nfs/dbraw/zinc/04/44/43/629044443.db2.gz MZRVDSSZMMYHLJ-UHFFFAOYSA-N -1 3 299.351 3.469 20 0 CGADHM O=C(Cc1ccc(Cl)c(F)c1)[N-]OC1CCCC1 ZINC000790557873 629217977 /nfs/dbraw/zinc/21/79/77/629217977.db2.gz DJMCCZPIBCSZEL-UHFFFAOYSA-N -1 3 271.719 3.012 20 0 CGADHM Cc1occc1CNC(=O)c1cc([O-])c2ccccc2c1 ZINC000792079606 629335849 /nfs/dbraw/zinc/33/58/49/629335849.db2.gz PAWMRQKOKIXMQU-UHFFFAOYSA-N -1 3 281.311 3.377 20 0 CGADHM CCC[C@@H](NC(=O)c1ccccc1[O-])[C@@H](O)c1ccccc1 ZINC000792579642 629368604 /nfs/dbraw/zinc/36/86/04/629368604.db2.gz RYVUBTFTMYHRHG-WBVHZDCISA-N -1 3 299.370 3.024 20 0 CGADHM Cc1cc2occ(CC(=O)[N-]OC/C=C/Cl)c2cc1C ZINC000794288382 629529864 /nfs/dbraw/zinc/52/98/64/629529864.db2.gz HSFMCVCGJUIVQK-ONEGZZNKSA-N -1 3 293.750 3.392 20 0 CGADHM O=C(OC[C@@H]1CCC[C@@H](O)C1)c1cc(Cl)c(Cl)[n-]1 ZINC000795313963 629659523 /nfs/dbraw/zinc/65/95/23/629659523.db2.gz PPLSBRVEVIOTDC-HTQZYQBOSA-N -1 3 292.162 3.029 20 0 CGADHM COc1ccccc1CO[N-]C(=O)C1(CC(C)C)CCC1 ZINC000799091711 630141161 /nfs/dbraw/zinc/14/11/61/630141161.db2.gz QEYYXBUECAJPFN-UHFFFAOYSA-N -1 3 291.391 3.459 20 0 CGADHM O=C(O[C@@H]1CCc2cccnc21)c1cc2ccsc2[n-]1 ZINC000802223528 630384146 /nfs/dbraw/zinc/38/41/46/630384146.db2.gz RVYQVLWNABJSPN-GFCCVEGCSA-N -1 3 284.340 3.469 20 0 CGADHM O=C(OCC1CCC(=O)CC1)c1cc(Cl)c(Cl)[n-]1 ZINC000803270407 630459866 /nfs/dbraw/zinc/45/98/66/630459866.db2.gz WURAXYNTWLHIGS-UHFFFAOYSA-N -1 3 290.146 3.238 20 0 CGADHM O=C(O[C@H]1CCc2c1cccc2Cl)c1cncc([O-])c1 ZINC000803346830 630466323 /nfs/dbraw/zinc/46/63/23/630466323.db2.gz APXVRBVFXLIHII-AWEZNQCLSA-N -1 3 289.718 3.285 20 0 CGADHM CCO[N-]C(=O)C1(Cc2cccs2)CCCCC1 ZINC000809986574 630823822 /nfs/dbraw/zinc/82/38/22/630823822.db2.gz IJJKSRLRODTFIW-UHFFFAOYSA-N -1 3 267.394 3.309 20 0 CGADHM O=C(OC[C@@H]1CCCOC1)c1cc2cc(Cl)sc2[n-]1 ZINC000810546056 630890518 /nfs/dbraw/zinc/89/05/18/630890518.db2.gz OLLRDDGAANMIEE-MRVPVSSYSA-N -1 3 299.779 3.466 20 0 CGADHM CO[C@@H](C)CCOC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000810599385 630901193 /nfs/dbraw/zinc/90/11/93/630901193.db2.gz DSKAPAZVWULTLM-ZETCQYMHSA-N -1 3 287.768 3.465 20 0 CGADHM CON(Cc1ccccc1)C(=O)c1cc([O-])ccc1Cl ZINC000810975889 630996439 /nfs/dbraw/zinc/99/64/39/630996439.db2.gz ZIAFPLLYMOROIR-UHFFFAOYSA-N -1 3 291.734 3.249 20 0 CGADHM CCC(C)(C)C(=O)COC(=O)c1cccc(Cl)c1[O-] ZINC000811172757 631038143 /nfs/dbraw/zinc/03/81/43/631038143.db2.gz KMFHOGQAEALZKR-UHFFFAOYSA-N -1 3 284.739 3.208 20 0 CGADHM CC(C)(O)CCOC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000811394169 631061661 /nfs/dbraw/zinc/06/16/61/631061661.db2.gz YRRSQQWTPSRDLV-UHFFFAOYSA-N -1 3 287.768 3.201 20 0 CGADHM Cc1cc(CC[N-]C(=O)C(F)(F)C(F)F)ccc1Cl ZINC000813312747 631406682 /nfs/dbraw/zinc/40/66/82/631406682.db2.gz IVKDSSKDUOESPV-UHFFFAOYSA-N -1 3 297.679 3.208 20 0 CGADHM CC(F)(F)C(=O)[N-][C@@H](c1cccc(F)c1)c1ccccn1 ZINC000815892061 631830278 /nfs/dbraw/zinc/83/02/78/631830278.db2.gz DZNHFHTTYOBOPS-ZDUSSCGKSA-N -1 3 294.276 3.082 20 0 CGADHM CC(=O)c1cccc(NC(=O)/C=C2\CC[C@@H](C)C2)c1[O-] ZINC000816621003 632027171 /nfs/dbraw/zinc/02/71/71/632027171.db2.gz UVHOEFODLOHZCI-QSARLWQPSA-N -1 3 273.332 3.280 20 0 CGADHM O=C(CCc1ccc2ccccc2n1)[N-]OCCC1CC1 ZINC000817371838 632133283 /nfs/dbraw/zinc/13/32/83/632133283.db2.gz AGEHUHGHDNJKOH-UHFFFAOYSA-N -1 3 284.359 3.015 20 0 CGADHM CCCN(CC1CCCCC1)C(=O)c1ccc(N)cc1[O-] ZINC000817924089 632235310 /nfs/dbraw/zinc/23/53/10/632235310.db2.gz RLRHLAJTOGACLI-UHFFFAOYSA-N -1 3 290.407 3.407 20 0 CGADHM CC(C)(C)CC(=O)[N-]OCC[C@@H]1CC1(Cl)Cl ZINC000818086764 632286915 /nfs/dbraw/zinc/28/69/15/632286915.db2.gz HQTVJKSFYBSBBY-MRVPVSSYSA-N -1 3 268.184 3.054 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])C(F)=C1CCC1 ZINC000819410005 632453974 /nfs/dbraw/zinc/45/39/74/632453974.db2.gz PDOFGZWPWMCDQG-UHFFFAOYSA-N -1 3 255.676 3.392 20 0 CGADHM CC(C)(O)CO[N-]C(=O)CC1CCC(C(C)(C)C)CC1 ZINC000819541505 632484339 /nfs/dbraw/zinc/48/43/39/632484339.db2.gz BPYYVTHQMSBMMM-UHFFFAOYSA-N -1 3 285.428 3.048 20 0 CGADHM CC1=C(C(=O)Nc2c([O-])cccc2Cl)CCCO1 ZINC000820511261 632640891 /nfs/dbraw/zinc/64/08/91/632640891.db2.gz YNQVONDDJTUVTH-UHFFFAOYSA-N -1 3 267.712 3.069 20 0 CGADHM Cc1cccc(NCc2ccccc2-c2nnn[n-]2)c1C ZINC000822328757 632905224 /nfs/dbraw/zinc/90/52/24/632905224.db2.gz SKYLHRXIIXIOIL-UHFFFAOYSA-N -1 3 279.347 3.096 20 0 CGADHM Cc1cccc(NCc2ccccc2-c2nn[n-]n2)c1C ZINC000822328757 632905229 /nfs/dbraw/zinc/90/52/29/632905229.db2.gz SKYLHRXIIXIOIL-UHFFFAOYSA-N -1 3 279.347 3.096 20 0 CGADHM Cc1cc2c(CC(=O)[N-]OCC3CC3)csc2s1 ZINC000868554419 633335683 /nfs/dbraw/zinc/33/56/83/633335683.db2.gz SMLQSHKLAKMONI-UHFFFAOYSA-N -1 3 281.402 3.272 20 0 CGADHM COc1ccc(CSc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826207874 633409470 /nfs/dbraw/zinc/40/94/70/633409470.db2.gz IOZILFLOTIHLLF-UHFFFAOYSA-N -1 3 298.371 3.168 20 0 CGADHM COc1ccc(CSc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826207874 633409474 /nfs/dbraw/zinc/40/94/74/633409474.db2.gz IOZILFLOTIHLLF-UHFFFAOYSA-N -1 3 298.371 3.168 20 0 CGADHM CO[C@H]1CC[C@@H](C)N(C(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000870723879 633636502 /nfs/dbraw/zinc/63/65/02/633636502.db2.gz HNUBXYTVQOVXFY-DOMZBBRYSA-N -1 3 299.370 3.185 20 0 CGADHM CC(=O)[C@H](OC(=O)c1cc2sccc2c([O-])c1)C(C)C ZINC000829069971 633687627 /nfs/dbraw/zinc/68/76/27/633687627.db2.gz JWSNIMAQXYVGJN-CQSZACIVSA-N -1 3 292.356 3.377 20 0 CGADHM O=C(Cc1ccccc1Cl)[N-]OCCCC(F)(F)F ZINC000871210024 633727854 /nfs/dbraw/zinc/72/78/54/633727854.db2.gz QCSPHOFDUQGWNI-UHFFFAOYSA-N -1 3 295.688 3.273 20 0 CGADHM CCN(C/C=C(/C)C(=O)[O-])Cc1ccc(Cl)s1 ZINC000829693134 633768069 /nfs/dbraw/zinc/76/80/69/633768069.db2.gz WGTBSPKRUSVIPD-TWGQIWQCSA-N -1 3 273.785 3.254 20 0 CGADHM C[C@@H](C1CC1)n1cc([N-]S(=O)(=O)C2=CCCCC2)cn1 ZINC000829921154 633809744 /nfs/dbraw/zinc/80/97/44/633809744.db2.gz HKEYWNBTKWZDCA-NSHDSACASA-N -1 3 295.408 3.054 20 0 CGADHM O=C(CCCc1ccccc1)[N-]OC1CC(CF)(CF)C1 ZINC000871730024 633845307 /nfs/dbraw/zinc/84/53/07/633845307.db2.gz MQFJGMQIUWWZQK-UHFFFAOYSA-N -1 3 297.345 3.145 20 0 CGADHM COc1ccccc1CO[N-]C(=O)CCCC(C)C ZINC000831215712 633929403 /nfs/dbraw/zinc/92/94/03/633929403.db2.gz DXWIRYJMRQSLET-UHFFFAOYSA-N -1 3 265.353 3.069 20 0 CGADHM CSc1cc(CN[C@@H](C)c2cccc([O-])c2F)ccn1 ZINC000872047264 633971082 /nfs/dbraw/zinc/97/10/82/633971082.db2.gz RAANEDOPJPLYMX-JTQLQIEISA-N -1 3 292.379 3.499 20 0 CGADHM CCCn1cc(N[C@H](C)c2cccc([O-])c2F)cn1 ZINC000872056107 633979399 /nfs/dbraw/zinc/97/93/99/633979399.db2.gz OTRLORGTOZFGLJ-SNVBAGLBSA-N -1 3 263.316 3.311 20 0 CGADHM CCC1(NC(=O)c2cc3sccc3c([O-])c2)CC1 ZINC000833952981 634130360 /nfs/dbraw/zinc/13/03/60/634130360.db2.gz GZLGVFYTWMLBPS-UHFFFAOYSA-N -1 3 261.346 3.279 20 0 CGADHM CCC[C@H](C(=O)OCc1cc(=O)[n-]c(C2CC2)n1)C(C)C ZINC000837608036 634948257 /nfs/dbraw/zinc/94/82/57/634948257.db2.gz RVZDKGGSJPJGMU-ZDUSSCGKSA-N -1 3 292.379 3.175 20 0 CGADHM O=C1N[C@@H](c2ccc([O-])cc2F)Nc2cccc(Cl)c21 ZINC000877853570 635241588 /nfs/dbraw/zinc/24/15/88/635241588.db2.gz LCRCLGIYVNNGKY-ZDUSSCGKSA-N -1 3 292.697 3.039 20 0 CGADHM CC(C)(C)CC(=O)[N-]OCc1cccc2cccnc21 ZINC000842061104 635270928 /nfs/dbraw/zinc/27/09/28/635270928.db2.gz UPJQLODZYSYDDK-UHFFFAOYSA-N -1 3 272.348 3.219 20 0 CGADHM CCCc1ccc(CCCC(=O)[N-]OCC(F)F)cc1 ZINC000843853260 635789525 /nfs/dbraw/zinc/78/95/25/635789525.db2.gz CFCVQGRZIWEFBD-UHFFFAOYSA-N -1 3 285.334 3.275 20 0 CGADHM CC(C)(CC(=O)[N-]OCC1CCC1)CC(F)(F)F ZINC000880764780 636047615 /nfs/dbraw/zinc/04/76/15/636047615.db2.gz IQHSXTNKQDPYIV-UHFFFAOYSA-N -1 3 267.291 3.203 20 0 CGADHM [O-]c1ccccc1-c1nnc(CSC2CCC2)o1 ZINC000882174616 636277048 /nfs/dbraw/zinc/27/70/48/636277048.db2.gz JBSZHFLVWQXKNO-UHFFFAOYSA-N -1 3 262.334 3.228 20 0 CGADHM COc1ccccc1CO[N-]C(=O)[C@]1(C)CC=C(C)CC1 ZINC000847178681 636359602 /nfs/dbraw/zinc/35/96/02/636359602.db2.gz UDNMDUJEVRYQLX-QGZVFWFLSA-N -1 3 289.375 3.380 20 0 CGADHM C/C(=C/C(=O)Nc1cc(Cl)ccc1[O-])C1CC1 ZINC000130295651 636439338 /nfs/dbraw/zinc/43/93/38/636439338.db2.gz YHHNXFZXTPFCAS-VURMDHGXSA-N -1 3 251.713 3.340 20 0 CGADHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2coc(C)c2)cc1 ZINC000187244024 636475253 /nfs/dbraw/zinc/47/52/53/636475253.db2.gz NWVGBANEGIGPHD-HNNXBMFYSA-N -1 3 296.326 3.112 20 0 CGADHM CC(C)(C)CC(=O)[N-]OCc1cnc(-c2ccccc2)o1 ZINC000882992727 636497036 /nfs/dbraw/zinc/49/70/36/636497036.db2.gz JHLRJDMEEGSGHN-UHFFFAOYSA-N -1 3 288.347 3.326 20 0 CGADHM COc1c(Cl)cc(Cl)cc1C=Cc1nccc(=O)[n-]1 ZINC000131758598 636746228 /nfs/dbraw/zinc/74/62/28/636746228.db2.gz SKSDWIOKQVZCIL-NSCUHMNNSA-N -1 3 297.141 3.256 20 0 CGADHM C[C@@H](OC(=O)c1cccc2nn[n-]c21)c1cccc(F)c1 ZINC000800208815 636957812 /nfs/dbraw/zinc/95/78/12/636957812.db2.gz NFWKUBGPXIFEPN-SECBINFHSA-N -1 3 285.278 3.015 20 0 CGADHM C[C@@H](OC(=O)c1cccc2[n-]nnc21)c1cccc(F)c1 ZINC000800208815 636957815 /nfs/dbraw/zinc/95/78/15/636957815.db2.gz NFWKUBGPXIFEPN-SECBINFHSA-N -1 3 285.278 3.015 20 0 CGADHM C[C@@H](OC(=O)c1cccc2n[n-]nc21)c1cccc(F)c1 ZINC000800208815 636957818 /nfs/dbraw/zinc/95/78/18/636957818.db2.gz NFWKUBGPXIFEPN-SECBINFHSA-N -1 3 285.278 3.015 20 0 CGADHM CC(C)CO[N-]C(=O)Cc1ccc2ccccc2c1 ZINC000135162237 637096057 /nfs/dbraw/zinc/09/60/57/637096057.db2.gz RZZIXEFRBFAGIQ-UHFFFAOYSA-N -1 3 257.333 3.086 20 0 CGADHM C[C@H]1C[C@H]1c1ccc(CCC(=O)[N-]OC2CCCC2)o1 ZINC000135354806 637120917 /nfs/dbraw/zinc/12/09/17/637120917.db2.gz VWACVMOQCQTSDG-SMDDNHRTSA-N -1 3 277.364 3.326 20 0 CGADHM O=C(OCCOC(F)F)c1cc2sccc2c([O-])c1 ZINC000853914602 637955428 /nfs/dbraw/zinc/95/54/28/637955428.db2.gz SDRQRWHTKAUQLW-UHFFFAOYSA-N -1 3 288.271 3.003 20 0 CGADHM CCc1ccc(C(=O)CCC(=O)[N-]OCC2CCC2)cc1 ZINC000856342827 638344978 /nfs/dbraw/zinc/34/49/78/638344978.db2.gz NSVHQEDMGATEHS-UHFFFAOYSA-N -1 3 289.375 3.060 20 0 CGADHM COc1ccccc1[C@H](C)CC(=O)[N-]OCC1CCC1 ZINC000856347448 638346946 /nfs/dbraw/zinc/34/69/46/638346946.db2.gz SJMZLCCPNOVFPB-GFCCVEGCSA-N -1 3 277.364 3.037 20 0 CGADHM Cc1ccsc1CCCC(=O)[N-]OCC1CCC1 ZINC000856348971 638348282 /nfs/dbraw/zinc/34/82/82/638348282.db2.gz WKXWWMWSJONJMN-UHFFFAOYSA-N -1 3 267.394 3.227 20 0 CGADHM O=C(Nc1nccn1C1CC1)c1cc2c(cc1[O-])CCCC2 ZINC000857540124 638515669 /nfs/dbraw/zinc/51/56/69/638515669.db2.gz VCVHRDSHVSEJQP-UHFFFAOYSA-N -1 3 297.358 3.055 20 0 CGADHM O=C(NCC[C@@H]1CC1(F)F)c1cc2sccc2c([O-])c1 ZINC000857727815 638561409 /nfs/dbraw/zinc/56/14/09/638561409.db2.gz GJNDWOOSCNGFPU-SECBINFHSA-N -1 3 297.326 3.382 20 0 CGADHM C[C@@H](Nc1cnn2c1CCCC2)c1cc([O-])cc(F)c1 ZINC000926783899 638811155 /nfs/dbraw/zinc/81/11/55/638811155.db2.gz KFKBECNBFMKBRM-SNVBAGLBSA-N -1 3 275.327 3.237 20 0 CGADHM CC(C)(CCN(Cc1ccc(F)cc1F)C1CC1)C(=O)[O-] ZINC000859782727 639212552 /nfs/dbraw/zinc/21/25/52/639212552.db2.gz ZFWNARSPSCZMIQ-UHFFFAOYSA-N -1 3 297.345 3.430 20 0 CGADHM CN(CCC(C)(C)C(=O)[O-])Cc1ccc(F)cc1Cl ZINC000859785009 639213605 /nfs/dbraw/zinc/21/36/05/639213605.db2.gz FCMKFVNRMPHHLL-UHFFFAOYSA-N -1 3 287.762 3.412 20 0 CGADHM O=C([O-])CC1(NCc2ncc(Cl)s2)CCCCC1 ZINC000859808785 639222241 /nfs/dbraw/zinc/22/22/41/639222241.db2.gz WESZSQXVLNQFLE-UHFFFAOYSA-N -1 3 288.800 3.064 20 0 CGADHM Cc1cccc([O-])c1C(=O)Nc1cc(C2CC2)ccn1 ZINC000861776297 639612668 /nfs/dbraw/zinc/61/26/68/639612668.db2.gz JNUJLIPBWBOZHO-UHFFFAOYSA-N -1 3 268.316 3.225 20 0 CGADHM CCCCC1(C(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC000934946770 639724406 /nfs/dbraw/zinc/72/44/06/639724406.db2.gz WUMISHRQYHYZDK-UHFFFAOYSA-N -1 3 265.328 3.118 20 0 CGADHM CC1(C(=O)Nc2cc(Br)ccc2[O-])CC=CC1 ZINC000935104439 639749382 /nfs/dbraw/zinc/74/93/82/639749382.db2.gz LKXZFGNDJRICDG-UHFFFAOYSA-N -1 3 296.164 3.450 20 0 CGADHM O=C(CCC1CC1)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000155776229 639948829 /nfs/dbraw/zinc/94/88/29/639948829.db2.gz MVGVWOUPVRQBKK-UHFFFAOYSA-N -1 3 287.281 3.443 20 0 CGADHM Cc1nn(C)cc1[C@H](C)NCc1c([O-])ccc(Cl)c1F ZINC000190954433 640280415 /nfs/dbraw/zinc/28/04/15/640280415.db2.gz HAXNUBZZXBFOLF-QMMMGPOBSA-N -1 3 297.761 3.077 20 0 CGADHM CCOC1CCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000191241725 640298637 /nfs/dbraw/zinc/29/86/37/640298637.db2.gz YCOXTGDVMHHVCF-UHFFFAOYSA-N -1 3 287.762 3.186 20 0 CGADHM COc1ccccc1OC(=O)c1cc(-c2ccc(C)o2)[n-]n1 ZINC000194097608 640513311 /nfs/dbraw/zinc/51/33/11/640513311.db2.gz BAEQQZOGNCQNNM-UHFFFAOYSA-N -1 3 298.298 3.206 20 0 CGADHM COc1ccccc1OC(=O)c1cc(-c2ccc(C)o2)n[n-]1 ZINC000194097608 640513318 /nfs/dbraw/zinc/51/33/18/640513318.db2.gz BAEQQZOGNCQNNM-UHFFFAOYSA-N -1 3 298.298 3.206 20 0 CGADHM CCc1onc(C)c1[N-]C(=O)c1sc(Cl)nc1C ZINC000089399934 640644545 /nfs/dbraw/zinc/64/45/45/640644545.db2.gz LKEJEHIZSADELH-UHFFFAOYSA-N -1 3 285.756 3.216 20 0 CGADHM C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@H]2C(=O)Nc2ncccc2[O-])o1 ZINC000956384199 640714278 /nfs/dbraw/zinc/71/42/78/640714278.db2.gz RQMJAMFQYHZPJV-WRWGMCAJSA-N -1 3 298.342 3.246 20 0 CGADHM CC(=O)c1ccc2[nH]c(-c3cc(F)ccc3[O-])nc2c1 ZINC001250838281 805786692 /nfs/dbraw/zinc/78/66/92/805786692.db2.gz YHQBPHYAOLJVSF-UHFFFAOYSA-N -1 3 270.263 3.277 20 0 CGADHM [O-]c1ccc(-c2nc3c(cc(F)c(F)c3F)[nH]2)c(F)c1 ZINC001250844073 805786841 /nfs/dbraw/zinc/78/68/41/805786841.db2.gz JBCLXBFQUVSFNY-UHFFFAOYSA-N -1 3 282.196 3.492 20 0 CGADHM CSc1ccc2[nH]c(-c3ccncc3[O-])nc2c1 ZINC001250859527 805789863 /nfs/dbraw/zinc/78/98/63/805789863.db2.gz JYTPWLKNJIUWTI-UHFFFAOYSA-N -1 3 257.318 3.052 20 0 CGADHM CSc1ccc2nc(-c3ccncc3[O-])[nH]c2c1 ZINC001250859527 805789868 /nfs/dbraw/zinc/78/98/68/805789868.db2.gz JYTPWLKNJIUWTI-UHFFFAOYSA-N -1 3 257.318 3.052 20 0 CGADHM Cc1cccc2c1nc(-c1cccc([O-])c1F)n2C ZINC001251255228 805871556 /nfs/dbraw/zinc/87/15/56/805871556.db2.gz HXUOZVWCNSWUCB-UHFFFAOYSA-N -1 3 256.280 3.393 20 0 CGADHM [O-]c1cnc(Cl)cc1-c1nc2c([nH]1)c(F)c(F)cc2F ZINC001251252347 805871862 /nfs/dbraw/zinc/87/18/62/805871862.db2.gz UKDVHGTZJPPFNJ-UHFFFAOYSA-N -1 3 299.639 3.401 20 0 CGADHM CC(C)S(=O)(=O)[N-]c1ccc2ccc(Cl)cc2n1 ZINC001252420924 806047790 /nfs/dbraw/zinc/04/77/90/806047790.db2.gz JKOJLCAIAUZMRJ-UHFFFAOYSA-N -1 3 284.768 3.038 20 0 CGADHM CCCCC[C@H](O)CNc1cccc([O-])c1Cl ZINC001253539553 806241126 /nfs/dbraw/zinc/24/11/26/806241126.db2.gz PZTZBYDFGWAFKE-JTQLQIEISA-N -1 3 257.761 3.399 20 0 CGADHM CC12C[C@H]3C[C@@H](C1)CC(C(=O)[N-]OC/C=C\Cl)(C3)C2 ZINC001160682602 806294185 /nfs/dbraw/zinc/29/41/85/806294185.db2.gz ZYHSSTKEWODLDA-ISBPGERNSA-N -1 3 283.799 3.393 20 0 CGADHM CCCc1nnc(-c2c([O-])cc3ccccc3c2O)o1 ZINC001253952082 806322726 /nfs/dbraw/zinc/32/27/26/806322726.db2.gz UAHCLWJZHOKMMI-UHFFFAOYSA-N -1 3 270.288 3.254 20 0 CGADHM [O-]c1ccc(Cc2nnc(-c3cccc(F)c3)o2)cc1F ZINC001254138373 806350668 /nfs/dbraw/zinc/35/06/68/806350668.db2.gz PEEUWHMWRHZYPQ-UHFFFAOYSA-N -1 3 288.253 3.311 20 0 CGADHM CC(F)(F)CNc1[n-]c(=O)c(Cl)cc1Cl ZINC001162228409 806535055 /nfs/dbraw/zinc/53/50/55/806535055.db2.gz PDMCSFLXPPUAFO-UHFFFAOYSA-N -1 3 257.067 3.161 20 0 CGADHM COc1ccc2ncc([O-])c(-c3nnc(C4CCC4)o3)c2c1 ZINC001255174304 806569436 /nfs/dbraw/zinc/56/94/36/806569436.db2.gz IBLOGIKDFZMEEU-UHFFFAOYSA-N -1 3 297.314 3.267 20 0 CGADHM Cc1ccc(C(=O)NCc2ccc3c(c2)CCC3)c([O-])c1 ZINC000060693568 798901763 /nfs/dbraw/zinc/90/17/63/798901763.db2.gz DYWFOHKUQYUXNA-UHFFFAOYSA-N -1 3 281.355 3.119 20 0 CGADHM COc1ccc(C(=O)[O-])cc1CN1CCC[C@@H]2CCC[C@@H]21 ZINC000087782021 798947579 /nfs/dbraw/zinc/94/75/79/798947579.db2.gz XPFNEVTWRPICPK-WFASDCNBSA-N -1 3 289.375 3.158 20 0 CGADHM O=C([N-]Cc1cccc(F)c1)C(F)(F)c1ccc(F)cc1 ZINC000147692241 799049520 /nfs/dbraw/zinc/04/95/20/799049520.db2.gz DRKVYTOSQALHDD-UHFFFAOYSA-N -1 3 297.251 3.373 20 0 CGADHM COc1cccc([C@@H](C)NCc2ccc(C(=O)[O-])s2)c1 ZINC000234976919 799144576 /nfs/dbraw/zinc/14/45/76/799144576.db2.gz AHCURZULNVWHCH-SNVBAGLBSA-N -1 3 291.372 3.306 20 0 CGADHM C[C@H]1C[C@H](C(=O)[O-])CN(Cc2ccc(F)cc2Cl)C1 ZINC000263091142 799179162 /nfs/dbraw/zinc/17/91/62/799179162.db2.gz AGGPILAWIALGOS-ONGXEEELSA-N -1 3 285.746 3.022 20 0 CGADHM [O-]c1c(F)cc(CN2CC3CCC2CC3)cc1F ZINC000310787068 799222727 /nfs/dbraw/zinc/22/27/27/799222727.db2.gz TVTHHOAUOGNWSG-UHFFFAOYSA-N -1 3 253.292 3.045 20 0 CGADHM COc1c(F)ccc(F)c1-c1ccc([O-])cc1F ZINC000310920029 799222837 /nfs/dbraw/zinc/22/28/37/799222837.db2.gz JOJIMJNVROGVLW-UHFFFAOYSA-N -1 3 254.207 3.485 20 0 CGADHM CC(C)(C)c1ccc(O)c([N-]S(=O)(=O)CC2CCC2)c1 ZINC000379703193 799353070 /nfs/dbraw/zinc/35/30/70/799353070.db2.gz BWUGZHOSFSLOAA-UHFFFAOYSA-N -1 3 297.420 3.232 20 0 CGADHM COc1cccc([O-])c1C(=O)NCCC1CCCCC1 ZINC000405202659 799582711 /nfs/dbraw/zinc/58/27/11/799582711.db2.gz DJCIXCRBFLRSKO-UHFFFAOYSA-N -1 3 277.364 3.101 20 0 CGADHM C/C(=C/C(C)(C)C)C(=O)Nc1cccc([O-])c1F ZINC000588505855 799704123 /nfs/dbraw/zinc/70/41/23/799704123.db2.gz LIQGLFQPQRDUMT-HJWRWDBZSA-N -1 3 251.301 3.462 20 0 CGADHM COc1cc(CN2CC[C@H](C(=O)[O-])C[C@@H]2C)ccc1Cl ZINC000703683941 799928672 /nfs/dbraw/zinc/92/86/72/799928672.db2.gz WBTCGSPXCLSJAR-JQWIXIFHSA-N -1 3 297.782 3.034 20 0 CGADHM Cc1ccc(F)cc1NC(=O)c1c(C)cccc1[O-] ZINC000706636953 799964941 /nfs/dbraw/zinc/96/49/41/799964941.db2.gz HMZJDAIPRSYPHY-UHFFFAOYSA-N -1 3 259.280 3.400 20 0 CGADHM Cc1cccc([O-])c1C(=O)Nc1cccc(F)c1F ZINC000706651332 799965000 /nfs/dbraw/zinc/96/50/00/799965000.db2.gz SKWTVRFNRIJESI-UHFFFAOYSA-N -1 3 263.243 3.231 20 0 CGADHM Oc1cccc(CCNc2ccc3c(c2)[N-]C(=S)C3)c1 ZINC001163708284 806803853 /nfs/dbraw/zinc/80/38/53/806803853.db2.gz HIZQCXTYAACTHG-UHFFFAOYSA-N -1 3 284.384 3.342 20 0 CGADHM O=C(C[C@@H]1CC=CCC1)[N-]OCCCC(F)(F)F ZINC000828336627 800482011 /nfs/dbraw/zinc/48/20/11/800482011.db2.gz UBBPDLMNUOXVAR-SNVBAGLBSA-N -1 3 265.275 3.123 20 0 CGADHM [O-]c1ccc(CNCc2ccn(C3CCCC3)n2)cc1F ZINC000893146189 800569493 /nfs/dbraw/zinc/56/94/93/800569493.db2.gz KGPFVABZZWCZHW-UHFFFAOYSA-N -1 3 289.354 3.133 20 0 CGADHM CSc1ccc([O-])c(C(=O)N2CC3CCC2CC3)c1 ZINC001118694151 802593140 /nfs/dbraw/zinc/59/31/40/802593140.db2.gz DFGUNLRNVRZKSY-UHFFFAOYSA-N -1 3 277.389 3.129 20 0 CGADHM O=C(OC[C@@H]1CCC2(CCC2)O1)c1cc2occc2[n-]1 ZINC001119412028 802662293 /nfs/dbraw/zinc/66/22/93/802662293.db2.gz BBGFXUQZOPPTIB-JTQLQIEISA-N -1 3 275.304 3.019 20 0 CGADHM COc1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1SC ZINC001243747812 802981661 /nfs/dbraw/zinc/98/16/61/802981661.db2.gz AIMQVDAXVXBONZ-UHFFFAOYSA-N -1 3 298.371 3.264 20 0 CGADHM COc1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1SC ZINC001243747812 802981668 /nfs/dbraw/zinc/98/16/68/802981668.db2.gz AIMQVDAXVXBONZ-UHFFFAOYSA-N -1 3 298.371 3.264 20 0 CGADHM Cc1cnc(F)cc1-c1ccc2c(c1)[N-]C(=S)C2 ZINC001243786163 803004547 /nfs/dbraw/zinc/00/45/47/803004547.db2.gz CWVPSSWNNMYLPZ-UHFFFAOYSA-N -1 3 258.321 3.492 20 0 CGADHM O=C([N-]c1c(F)cccc1F)c1cc(Cl)ncc1F ZINC001124367277 803017168 /nfs/dbraw/zinc/01/71/68/803017168.db2.gz CDPSTKQHHSSVOI-UHFFFAOYSA-N -1 3 286.640 3.405 20 0 CGADHM [O-]c1ccc(-c2ncc3ncsc3n2)c(C(F)(F)F)c1 ZINC001205073502 812848239 /nfs/dbraw/zinc/84/82/39/812848239.db2.gz PIUDSEXWIIGFRR-UHFFFAOYSA-N -1 3 297.261 3.478 20 0 CGADHM Fc1cc(F)c(Cl)c(-c2ccc(=S)[n-]n2)c1 ZINC001243826796 803037337 /nfs/dbraw/zinc/03/73/37/803037337.db2.gz QCLSZGYXWSGDPG-UHFFFAOYSA-N -1 3 258.680 3.364 20 0 CGADHM Fc1ccc(-c2nnn[n-]2)cc1-c1cc(C2CC2)cnc1F ZINC001243866801 803056017 /nfs/dbraw/zinc/05/60/17/803056017.db2.gz LLXGJJIRZJFFBO-UHFFFAOYSA-N -1 3 299.284 3.084 20 0 CGADHM Fc1ccc(-c2nn[n-]n2)cc1-c1cc(C2CC2)cnc1F ZINC001243866801 803056024 /nfs/dbraw/zinc/05/60/24/803056024.db2.gz LLXGJJIRZJFFBO-UHFFFAOYSA-N -1 3 299.284 3.084 20 0 CGADHM Cc1cc(F)c2[nH]ccc2c1-c1ccc(=S)[n-]n1 ZINC001243882644 803060895 /nfs/dbraw/zinc/06/08/95/803060895.db2.gz CGOXJWGKOMRKFF-UHFFFAOYSA-N -1 3 259.309 3.361 20 0 CGADHM COc1ccc(-c2cc(F)cc(-c3nnn[n-]3)c2)c(C)c1C ZINC001244002451 803134035 /nfs/dbraw/zinc/13/40/35/803134035.db2.gz CNYGYRHLEMZFAF-UHFFFAOYSA-N -1 3 298.321 3.298 20 0 CGADHM COc1ccc(-c2cc(F)cc(-c3nn[n-]n3)c2)c(C)c1C ZINC001244002451 803134036 /nfs/dbraw/zinc/13/40/36/803134036.db2.gz CNYGYRHLEMZFAF-UHFFFAOYSA-N -1 3 298.321 3.298 20 0 CGADHM NC(=O)c1cc(F)c(-c2c([O-])cccc2Cl)cc1F ZINC001244044137 803157888 /nfs/dbraw/zinc/15/78/88/803157888.db2.gz INNBUUOANWYNSU-UHFFFAOYSA-N -1 3 283.661 3.090 20 0 CGADHM [O-]c1cccc(Cl)c1-c1cncc2nccnc21 ZINC001244048808 803160751 /nfs/dbraw/zinc/16/07/51/803160751.db2.gz UJQSWHAOEUFIQI-UHFFFAOYSA-N -1 3 257.680 3.051 20 0 CGADHM FC(F)COc1ccc(-c2ccc(=S)[n-]n2)cc1 ZINC001244071210 803170821 /nfs/dbraw/zinc/17/08/21/803170821.db2.gz LYCNAOLHTOWVCZ-UHFFFAOYSA-N -1 3 268.288 3.076 20 0 CGADHM Cc1ncc(C2CC2)cc1-c1ccc(-c2nnn[n-]2)cc1 ZINC001244142655 803205672 /nfs/dbraw/zinc/20/56/72/803205672.db2.gz GELCCFDXJJUSTM-UHFFFAOYSA-N -1 3 277.331 3.115 20 0 CGADHM Cc1ncc(C2CC2)cc1-c1ccc(-c2nn[n-]n2)cc1 ZINC001244142655 803205675 /nfs/dbraw/zinc/20/56/75/803205675.db2.gz GELCCFDXJJUSTM-UHFFFAOYSA-N -1 3 277.331 3.115 20 0 CGADHM COc1cccc(C2CC2)c1-c1ccc(=S)[n-]n1 ZINC001244252836 803264097 /nfs/dbraw/zinc/26/40/97/803264097.db2.gz JWQLTGWVLRRJFL-UHFFFAOYSA-N -1 3 258.346 3.318 20 0 CGADHM CCCOc1cc(F)ccc1-c1ccc(=S)[n-]n1 ZINC001244358171 803326111 /nfs/dbraw/zinc/32/61/11/803326111.db2.gz RZOQOXUMVQEEDB-UHFFFAOYSA-N -1 3 264.325 3.360 20 0 CGADHM COCc1ccnc(-c2cc(OC(F)(F)F)ccc2[O-])c1 ZINC001244454884 803377081 /nfs/dbraw/zinc/37/70/81/803377081.db2.gz BAXQEMHDURWTDS-UHFFFAOYSA-N -1 3 299.248 3.499 20 0 CGADHM CN1C(=O)Cc2cc(-c3ccc(Cl)cc3[O-])ccc21 ZINC001244469582 803385817 /nfs/dbraw/zinc/38/58/17/803385817.db2.gz ODLKAEBGTSBRSA-UHFFFAOYSA-N -1 3 273.719 3.232 20 0 CGADHM [O-]c1cc(Cl)ccc1-c1ccc(-c2nc[nH]n2)cc1 ZINC001244469403 803385977 /nfs/dbraw/zinc/38/59/77/803385977.db2.gz GPQXHHMLYXEIEB-UHFFFAOYSA-N -1 3 271.707 3.498 20 0 CGADHM COC(=O)c1ncc(-c2ccc(Cl)cc2[O-])cc1C ZINC001244469585 803386204 /nfs/dbraw/zinc/38/62/04/803386204.db2.gz OFWLTTAVZAMMNW-UHFFFAOYSA-N -1 3 277.707 3.203 20 0 CGADHM CS(=O)(=O)Nc1ccccc1-c1ccc(Cl)cc1[O-] ZINC001244471755 803387789 /nfs/dbraw/zinc/38/77/89/803387789.db2.gz HBAWHMDNYDYQOR-UHFFFAOYSA-N -1 3 297.763 3.084 20 0 CGADHM CN1C(=O)NCc2cc(-c3ccc(Cl)cc3[O-])ccc21 ZINC001244470856 803387991 /nfs/dbraw/zinc/38/79/91/803387991.db2.gz AGSXEVPSCGOBCG-UHFFFAOYSA-N -1 3 288.734 3.372 20 0 CGADHM Cc1ccc(S(C)(=O)=O)cc1-c1ccc(Cl)cc1[O-] ZINC001244474093 803389573 /nfs/dbraw/zinc/38/95/73/803389573.db2.gz WPZNHCKOMGELCM-UHFFFAOYSA-N -1 3 296.775 3.425 20 0 CGADHM COC(=O)c1c(C)cc(C)nc1-c1cc(C)c(F)c([O-])c1 ZINC001244505705 803410310 /nfs/dbraw/zinc/41/03/10/803410310.db2.gz IJDXREONAPOUGK-UHFFFAOYSA-N -1 3 289.306 3.305 20 0 CGADHM Cc1cc(-c2ccc3c(c2)CC(=O)NC3(C)C)cc([O-])c1F ZINC001244524936 803417234 /nfs/dbraw/zinc/41/72/34/803417234.db2.gz JJLFNYXHPJTOGX-UHFFFAOYSA-N -1 3 299.345 3.414 20 0 CGADHM COC(=O)c1c(F)cccc1-c1cc(C)c(F)c([O-])c1 ZINC001244525962 803418869 /nfs/dbraw/zinc/41/88/69/803418869.db2.gz VCLHKCPGJOTHIK-UHFFFAOYSA-N -1 3 278.254 3.432 20 0 CGADHM Cc1cc(-c2cnc(OCC3CC3)nc2)cc([O-])c1F ZINC001244525825 803419143 /nfs/dbraw/zinc/41/91/43/803419143.db2.gz UACZEORBECXGAL-UHFFFAOYSA-N -1 3 274.295 3.086 20 0 CGADHM Cc1cc(-c2ccc3ccc(=O)n(C)c3c2)cc([O-])c1F ZINC001244526322 803419645 /nfs/dbraw/zinc/41/96/45/803419645.db2.gz WYQHFPMFRNVEKN-UHFFFAOYSA-N -1 3 283.302 3.359 20 0 CGADHM CCNC(=O)c1cncc(-c2cc(C)c([O-])c(Cl)c2)c1 ZINC001244546826 803431994 /nfs/dbraw/zinc/43/19/94/803431994.db2.gz JXAZWXVGXSKAHY-UHFFFAOYSA-N -1 3 290.750 3.166 20 0 CGADHM Cc1cc(-c2cnc(=O)n(C(C)C)c2)cc(Cl)c1[O-] ZINC001244550701 803433999 /nfs/dbraw/zinc/43/39/99/803433999.db2.gz IUSGRZPVJAEJNE-UHFFFAOYSA-N -1 3 278.739 3.159 20 0 CGADHM CCCC[C@H](C(=O)Nc1n[n-]c(-c2ccco2)n1)C(C)C ZINC001134128914 803522784 /nfs/dbraw/zinc/52/27/84/803522784.db2.gz ZLVCRBWPWLOHSE-NSHDSACASA-N -1 3 290.367 3.466 20 0 CGADHM Cc1cc(-c2ccc3[nH]c(N)nc3c2)cc(C)c1C(=O)[O-] ZINC001244947364 803586862 /nfs/dbraw/zinc/58/68/62/803586862.db2.gz WQWOZCZLSMUUMA-UHFFFAOYSA-N -1 3 281.315 3.127 20 0 CGADHM Cc1cc(-c2ccc3nc(N)[nH]c3c2)cc(C)c1C(=O)[O-] ZINC001244947364 803586865 /nfs/dbraw/zinc/58/68/65/803586865.db2.gz WQWOZCZLSMUUMA-UHFFFAOYSA-N -1 3 281.315 3.127 20 0 CGADHM CSc1ccc([O-])c(C(=O)N2CCc3ccccc3C2)c1 ZINC001135609789 803606918 /nfs/dbraw/zinc/60/69/18/803606918.db2.gz NPYYSJOORTULPL-UHFFFAOYSA-N -1 3 299.395 3.313 20 0 CGADHM CCOc1cc(C)cc(F)c1-c1ccc(=S)[n-]n1 ZINC001245011490 803610457 /nfs/dbraw/zinc/61/04/57/803610457.db2.gz WDABVTFFGTUTOS-UHFFFAOYSA-N -1 3 264.325 3.279 20 0 CGADHM CCOC(=O)c1cncc(-c2cc(Cl)ccc2[O-])c1 ZINC001245051177 803623344 /nfs/dbraw/zinc/62/33/44/803623344.db2.gz RBKXIYIRLWMMFE-UHFFFAOYSA-N -1 3 277.707 3.284 20 0 CGADHM O=c1ccc(-c2cc(Cl)ccc2[O-])nn1-c1ccccc1 ZINC001245052542 803624035 /nfs/dbraw/zinc/62/40/35/803624035.db2.gz JTWPPEZKKMWTTQ-UHFFFAOYSA-N -1 3 298.729 3.259 20 0 CGADHM Cc1cc2c(ncnc2-c2ccc([O-])cc2Cl)[nH]1 ZINC001245082122 803636269 /nfs/dbraw/zinc/63/62/69/803636269.db2.gz TZPVYFSYPRKVDW-UHFFFAOYSA-N -1 3 259.696 3.292 20 0 CGADHM CCOC(=O)c1ccc(-c2ccc([O-])cc2Cl)nc1 ZINC001245081924 803636352 /nfs/dbraw/zinc/63/63/52/803636352.db2.gz OLOCZVXXHRGVNW-UHFFFAOYSA-N -1 3 277.707 3.284 20 0 CGADHM Cc1cccc([O-])c1C(=O)NCc1ccccc1OC(C)C ZINC001136343187 803640856 /nfs/dbraw/zinc/64/08/56/803640856.db2.gz PVFFJPDZNRYUNK-UHFFFAOYSA-N -1 3 299.370 3.418 20 0 CGADHM CCO[C@@H]1C[C@@H](NC(=O)c2ccccc2[O-])C1(CC)CC ZINC001137062660 803678253 /nfs/dbraw/zinc/67/82/53/803678253.db2.gz DKRQWNDGFSECJQ-HUUCEWRRSA-N -1 3 291.391 3.106 20 0 CGADHM CN(C)Cc1cncc(-c2ccc(C(=O)[O-])cc2Cl)c1 ZINC001245373541 803718461 /nfs/dbraw/zinc/71/84/61/803718461.db2.gz ADYAHUVZGSVTMG-UHFFFAOYSA-N -1 3 290.750 3.162 20 0 CGADHM [O-]c1ccc(Nc2cc(O)c(F)cc2F)c(F)c1F ZINC001212009774 814967091 /nfs/dbraw/zinc/96/70/91/814967091.db2.gz UNHCHOGRXMUGNB-UHFFFAOYSA-N -1 3 273.185 3.398 20 0 CGADHM Cn1cnc2cc(Nc3ccc([O-])c(F)c3F)ccc21 ZINC001212009920 814967210 /nfs/dbraw/zinc/96/72/10/814967210.db2.gz ZHRLNZOLSALAKL-UHFFFAOYSA-N -1 3 275.258 3.301 20 0 CGADHM Fc1ccc2[nH]c(-c3cccc(-c4nnn[n-]4)c3)cc2c1 ZINC001245575811 803828500 /nfs/dbraw/zinc/82/85/00/803828500.db2.gz KGWVQTGEPMEWBT-UHFFFAOYSA-N -1 3 279.278 3.154 20 0 CGADHM Fc1ccc2[nH]c(-c3cccc(-c4nn[n-]n4)c3)cc2c1 ZINC001245575811 803828510 /nfs/dbraw/zinc/82/85/10/803828510.db2.gz KGWVQTGEPMEWBT-UHFFFAOYSA-N -1 3 279.278 3.154 20 0 CGADHM CCOC(=O)Cc1cccc(-c2c([O-])cccc2F)c1 ZINC001245654539 803886398 /nfs/dbraw/zinc/88/63/98/803886398.db2.gz TUYOAILIAYODSN-UHFFFAOYSA-N -1 3 274.291 3.304 20 0 CGADHM CCOC(=O)c1ccc(-c2c([O-])cccc2F)cc1 ZINC001245654544 803886691 /nfs/dbraw/zinc/88/66/91/803886691.db2.gz UDJOXAVMVNDPSY-UHFFFAOYSA-N -1 3 260.264 3.375 20 0 CGADHM COC(=O)CCc1ccc(-c2c([O-])cccc2F)cc1 ZINC001245655265 803888536 /nfs/dbraw/zinc/88/85/36/803888536.db2.gz XAZWXCNZYGWZKM-UHFFFAOYSA-N -1 3 274.291 3.304 20 0 CGADHM CCc1cc(-c2ccc(-c3nnn[n-]3)c(F)c2)ccc1OC ZINC001245791714 803964851 /nfs/dbraw/zinc/96/48/51/803964851.db2.gz GJORAKPPYPHLBG-UHFFFAOYSA-N -1 3 298.321 3.244 20 0 CGADHM CCc1cc(-c2ccc(-c3nn[n-]n3)c(F)c2)ccc1OC ZINC001245791714 803964857 /nfs/dbraw/zinc/96/48/57/803964857.db2.gz GJORAKPPYPHLBG-UHFFFAOYSA-N -1 3 298.321 3.244 20 0 CGADHM [O-]c1ccc(F)c(-c2cccn3cncc23)c1Cl ZINC001245832555 803988726 /nfs/dbraw/zinc/98/87/26/803988726.db2.gz YRIZEKWWRSMMPV-UHFFFAOYSA-N -1 3 262.671 3.499 20 0 CGADHM Cc1ncc(Nc2cccc(OCC(F)(F)F)c2)c(=O)[n-]1 ZINC001212167171 814987589 /nfs/dbraw/zinc/98/75/89/814987589.db2.gz PHKGNTPSVVVGHL-UHFFFAOYSA-N -1 3 299.252 3.175 20 0 CGADHM CCCC1CCN(Cc2[nH]c(C)c(C(=O)[O-])c2C)CC1 ZINC001140496022 804447589 /nfs/dbraw/zinc/44/75/89/804447589.db2.gz OUWABSBOERUJLC-UHFFFAOYSA-N -1 3 278.396 3.342 20 0 CGADHM Cc1[nH]c(CN2CCC3(CCCC3)CC2)c(C)c1C(=O)[O-] ZINC001140501418 804448772 /nfs/dbraw/zinc/44/87/72/804448772.db2.gz WWNBKQJAEZSCAU-UHFFFAOYSA-N -1 3 290.407 3.486 20 0 CGADHM [O-]c1cccc(CN2CCC3(CC3)C2)c1Br ZINC001140547695 804458259 /nfs/dbraw/zinc/45/82/59/804458259.db2.gz KCWWJYYFOKZUKR-UHFFFAOYSA-N -1 3 282.181 3.141 20 0 CGADHM CN(CCc1ccccc1)Cc1ccc([O-])c(F)c1F ZINC001140889699 804541654 /nfs/dbraw/zinc/54/16/54/804541654.db2.gz JTQUUODRLQGTNT-UHFFFAOYSA-N -1 3 277.314 3.345 20 0 CGADHM CC(C)[C@@H]1CCCN1Cc1ccc([O-])c(F)c1F ZINC001140892726 804543058 /nfs/dbraw/zinc/54/30/58/804543058.db2.gz YGNBMXYIOHMSHX-NSHDSACASA-N -1 3 255.308 3.291 20 0 CGADHM CC1(C)CCN(Cc2ccc([O-])c(F)c2F)CC1 ZINC001140894415 804545566 /nfs/dbraw/zinc/54/55/66/804545566.db2.gz XLFFJSMILMTUFC-UHFFFAOYSA-N -1 3 255.308 3.292 20 0 CGADHM Nc1ccc(Cl)cc1Nc1ncc(Cl)cc1[O-] ZINC001212429269 815027277 /nfs/dbraw/zinc/02/72/77/815027277.db2.gz SSGINUBSLGHJFO-UHFFFAOYSA-N -1 3 270.119 3.420 20 0 CGADHM CC(C)c1ccc(C(=O)N[C@@H]2C[C@H]2C(C)C)c([O-])c1 ZINC001141926660 804679397 /nfs/dbraw/zinc/67/93/97/804679397.db2.gz QKFFZFYCXMKXCD-UONOGXRCSA-N -1 3 261.365 3.290 20 0 CGADHM C[C@@H]1CN(Cc2c(Cl)cc([O-])cc2Cl)C[C@H](C)O1 ZINC001142101974 804694673 /nfs/dbraw/zinc/69/46/73/804694673.db2.gz LPZIDEHGFXEQOD-DTORHVGOSA-N -1 3 290.190 3.308 20 0 CGADHM C[C@@H]1CCCN(Cc2ccc(Cl)cc2C(=O)[O-])C1 ZINC001142643499 804746330 /nfs/dbraw/zinc/74/63/30/804746330.db2.gz XDBJVDZOCFFEBM-SNVBAGLBSA-N -1 3 267.756 3.270 20 0 CGADHM Nc1cc2cn(-c3cc(F)cc(F)c3[O-])nc2cc1Cl ZINC001212489596 815039304 /nfs/dbraw/zinc/03/93/04/815039304.db2.gz UBKOSNLXKRAIJH-UHFFFAOYSA-N -1 3 295.676 3.245 20 0 CGADHM CC(C)(C)CNC(=S)Nc1ccc([O-])c(Cl)c1 ZINC001247979225 804864078 /nfs/dbraw/zinc/86/40/78/804864078.db2.gz OMXDSOKBDNFLOD-UHFFFAOYSA-N -1 3 272.801 3.378 20 0 CGADHM [O-]c1cc(F)c(CN2CCC[C@@H]3CCC[C@H]32)c(F)c1 ZINC001144559120 805006571 /nfs/dbraw/zinc/00/65/71/805006571.db2.gz IYUZJDVFXKQUHJ-ZUZCIYMTSA-N -1 3 267.319 3.435 20 0 CGADHM COc1cccc([O-])c1C(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC001146669440 805078357 /nfs/dbraw/zinc/07/83/57/805078357.db2.gz PZPOGMMFXNVIHZ-YNEHKIRRSA-N -1 3 289.375 3.099 20 0 CGADHM O=C([N-]c1nc(F)cc(C(F)(F)F)c1F)c1ccco1 ZINC001147082596 805107774 /nfs/dbraw/zinc/10/77/74/805107774.db2.gz JVPMUCWUXJJXSZ-UHFFFAOYSA-N -1 3 292.163 3.224 20 0 CGADHM Cc1ccoc1CC(=O)Nc1cc(Cl)ccc1[O-] ZINC001151753479 805310403 /nfs/dbraw/zinc/31/04/03/805310403.db2.gz NHXGWEOMLNECLU-UHFFFAOYSA-N -1 3 265.696 3.128 20 0 CGADHM Cc1ccc(Cl)c(-c2noc(-c3ccc([O-])cn3)n2)c1 ZINC001212557906 815067943 /nfs/dbraw/zinc/06/79/43/815067943.db2.gz HJKTUUZPSFSNOS-UHFFFAOYSA-N -1 3 287.706 3.466 20 0 CGADHM O=C(CCc1ccc(F)cc1[O-])c1ccc(F)cc1 ZINC001250027929 805377719 /nfs/dbraw/zinc/37/77/19/805377719.db2.gz HENBWOASRJWPQA-UHFFFAOYSA-N -1 3 262.255 3.486 20 0 CGADHM O=C(Nc1cc([O-])cc(Cl)c1)c1cnc2ncccc2c1 ZINC001153771097 805414961 /nfs/dbraw/zinc/41/49/61/805414961.db2.gz XMMVZTQMKOAQEM-UHFFFAOYSA-N -1 3 299.717 3.241 20 0 CGADHM [O-]c1c(F)cc(F)cc1C[C@@H]1COc2ccccc2O1 ZINC001250175573 805462876 /nfs/dbraw/zinc/46/28/76/805462876.db2.gz KPQCZPXVLQHDKI-LLVKDONJSA-N -1 3 278.254 3.053 20 0 CGADHM [O-]c1cc(Nc2cnncc2Cl)ccc1Cl ZINC001212589646 815078134 /nfs/dbraw/zinc/07/81/34/815078134.db2.gz XDWCSQZJMSYITM-UHFFFAOYSA-N -1 3 256.092 3.233 20 0 CGADHM O=c1[nH]c2ccccc2n1CCCc1c([O-])cccc1F ZINC001250184450 805470528 /nfs/dbraw/zinc/47/05/28/805470528.db2.gz XRDDMAUEERKKNF-UHFFFAOYSA-N -1 3 286.306 3.219 20 0 CGADHM O=C1OCc2cc(Nc3ccc(Cl)c([O-])c3)ccc21 ZINC001212592323 815080248 /nfs/dbraw/zinc/08/02/48/815080248.db2.gz JYYMFEBXFIYBRW-UHFFFAOYSA-N -1 3 275.691 3.460 20 0 CGADHM O=c1cnc2cc(Nc3ccc(Cl)c([O-])c3)ccc2[nH]1 ZINC001212595150 815081101 /nfs/dbraw/zinc/08/11/01/815081101.db2.gz JUHPLXSWDSPRPA-UHFFFAOYSA-N -1 3 287.706 3.026 20 0 CGADHM [O-]c1cc(Nc2cccc(-n3nccn3)c2)ccc1Cl ZINC001212593658 815081325 /nfs/dbraw/zinc/08/13/25/815081325.db2.gz CQBULCXCWGUJTJ-UHFFFAOYSA-N -1 3 286.722 3.370 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2ccnn2C(C)(C)C)c1 ZINC001167706390 807229902 /nfs/dbraw/zinc/22/99/02/807229902.db2.gz HEYFZFTWISNLHC-UHFFFAOYSA-N -1 3 287.363 3.158 20 0 CGADHM [O-]c1cncc(-c2nc(-c3cccc4ccoc43)no2)c1 ZINC001212708668 815110057 /nfs/dbraw/zinc/11/00/57/815110057.db2.gz NXOAZNRGRYJLPQ-UHFFFAOYSA-N -1 3 279.255 3.250 20 0 CGADHM COc1nccc(SC)c1Nc1ncc(Cl)cc1[O-] ZINC001215927168 815633543 /nfs/dbraw/zinc/63/35/43/815633543.db2.gz CAVXKOLCRGJBOG-UHFFFAOYSA-N -1 3 297.767 3.310 20 0 CGADHM O=c1[n-]c(-c2nnc(-c3ccc4c(c3)CCC4)o2)ccc1F ZINC001258234467 807380595 /nfs/dbraw/zinc/38/05/95/807380595.db2.gz WHYZRXNEUFONAW-UHFFFAOYSA-N -1 3 297.289 3.132 20 0 CGADHM COc1cccc(-c2nnc(CCC(C)C)o2)c1[O-] ZINC001258263737 807387994 /nfs/dbraw/zinc/38/79/94/807387994.db2.gz BSEWMAKBJWXLTE-UHFFFAOYSA-N -1 3 262.309 3.039 20 0 CGADHM CCc1cc(=O)[n-]c(CN[C@H](C)c2cc(C)ccc2C)n1 ZINC001168926146 807539658 /nfs/dbraw/zinc/53/96/58/807539658.db2.gz YQWRYQNOIGYKDW-CYBMUJFWSA-N -1 3 285.391 3.212 20 0 CGADHM CCCCc1ccc(-c2noc(-c3cnc[n-]c3=O)n2)cc1 ZINC001212753949 815127267 /nfs/dbraw/zinc/12/72/67/815127267.db2.gz WPBAKSFYUJJGDR-UHFFFAOYSA-N -1 3 296.330 3.242 20 0 CGADHM CC(=O)OCc1cccc(C)c1Nc1ncc(F)cc1[O-] ZINC001212769568 815133478 /nfs/dbraw/zinc/13/34/78/815133478.db2.gz VNEZXLXVHPOKGS-UHFFFAOYSA-N -1 3 290.294 3.041 20 0 CGADHM S=c1ccc(NCCc2coc3ccccc23)n[n-]1 ZINC001169590672 807671599 /nfs/dbraw/zinc/67/15/99/807671599.db2.gz ISKPBWRGTNZTGB-UHFFFAOYSA-N -1 3 271.345 3.166 20 0 CGADHM Cc1cccc(CS(=O)(=O)[N-]c2cc(F)cc(F)c2)c1 ZINC001259742472 807684963 /nfs/dbraw/zinc/68/49/63/807684963.db2.gz KEOYHVHSILPKQP-UHFFFAOYSA-N -1 3 297.326 3.215 20 0 CGADHM Cc1cc(NCc2ncccc2[O-])cc2cccnc12 ZINC001169731809 807699889 /nfs/dbraw/zinc/69/98/89/807699889.db2.gz HPNAWVSUQLDVKR-UHFFFAOYSA-N -1 3 265.316 3.256 20 0 CGADHM COc1cccc(C(F)(F)F)c1NCc1ncccc1[O-] ZINC001169732544 807701020 /nfs/dbraw/zinc/70/10/20/807701020.db2.gz LAPPAMUSRLYWFJ-UHFFFAOYSA-N -1 3 298.264 3.427 20 0 CGADHM Cc1cncc2cccc(NCc3ncccc3[O-])c12 ZINC001169733227 807701966 /nfs/dbraw/zinc/70/19/66/807701966.db2.gz QIRBMWYFNYGODP-UHFFFAOYSA-N -1 3 265.316 3.256 20 0 CGADHM CSc1ccc([O-])c(C(=O)N[C@@H]2CCCC[C@@H]2F)c1 ZINC001170155705 807779412 /nfs/dbraw/zinc/77/94/12/807779412.db2.gz XKOXBHFBZQYRPC-NWDGAFQWSA-N -1 3 283.368 3.125 20 0 CGADHM Cc1cnc(F)cc1[N-]c1nc(C(C)(C)C)ns1 ZINC001212846878 815155195 /nfs/dbraw/zinc/15/51/95/815155195.db2.gz PBVOXQCCIKPXPF-UHFFFAOYSA-N -1 3 266.345 3.422 20 0 CGADHM Cc1cnc(F)cc1Nc1cc([O-])c(F)cc1F ZINC001212851043 815156717 /nfs/dbraw/zinc/15/67/17/815156717.db2.gz WWKZRNPYNSLMOZ-UHFFFAOYSA-N -1 3 254.211 3.257 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])c1cc2c(o1)CCCC2 ZINC001263771987 808002854 /nfs/dbraw/zinc/00/28/54/808002854.db2.gz YMXZTXADJPUOPY-UHFFFAOYSA-N -1 3 275.279 3.255 20 0 CGADHM O=C([N-]c1c(F)cccc1F)c1nccc2cccnc21 ZINC001264221372 808051965 /nfs/dbraw/zinc/05/19/65/808051965.db2.gz RBCAZXCBDJOQBE-UHFFFAOYSA-N -1 3 285.253 3.160 20 0 CGADHM CCOc1ccccc1Nc1cc(=O)[n-]c(C2CC2)n1 ZINC001173847528 808709340 /nfs/dbraw/zinc/70/93/40/808709340.db2.gz FMKCUCIKYOWTLV-UHFFFAOYSA-N -1 3 271.320 3.202 20 0 CGADHM [O-]c1cc(Cl)cnc1Nc1ccc(F)cc1F ZINC001173926597 808766171 /nfs/dbraw/zinc/76/61/71/808766171.db2.gz NQXNUMUKEBDYPC-UHFFFAOYSA-N -1 3 256.639 3.462 20 0 CGADHM Cc1cccc(Nc2cc(=O)[n-]c(C3CC3)n2)c1C ZINC001173951810 808780596 /nfs/dbraw/zinc/78/05/96/808780596.db2.gz HHRHXJQDVADPFQ-UHFFFAOYSA-N -1 3 255.321 3.420 20 0 CGADHM [O-]c1cc(F)c(Nc2ccc3c(c2)CCO3)c(F)c1 ZINC001174012912 808821754 /nfs/dbraw/zinc/82/17/54/808821754.db2.gz XVSOMSHNXCLRCD-UHFFFAOYSA-N -1 3 263.243 3.349 20 0 CGADHM COCc1ccccc1Nc1ncc(Cl)cc1[O-] ZINC001174101898 808866845 /nfs/dbraw/zinc/86/68/45/808866845.db2.gz DGYSJZAJOSCEHM-UHFFFAOYSA-N -1 3 264.712 3.331 20 0 CGADHM O=c1ccn(-c2ccc(Nc3ccc4n[nH]cc4c3)cc2)[n-]1 ZINC001174276296 808922420 /nfs/dbraw/zinc/92/24/20/808922420.db2.gz VZEHCECMSNHSME-UHFFFAOYSA-N -1 3 291.314 3.198 20 0 CGADHM CC(=O)NCc1cccc(Nc2cc(F)c([O-])c(F)c2)c1 ZINC001174369489 808979758 /nfs/dbraw/zinc/97/97/58/808979758.db2.gz TXMIPBANRMEOOI-UHFFFAOYSA-N -1 3 292.285 3.050 20 0 CGADHM Cc1cc(O)ccc1Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001174566644 809086364 /nfs/dbraw/zinc/08/63/64/809086364.db2.gz UENAWRHJGUHAQA-UHFFFAOYSA-N -1 3 281.315 3.336 20 0 CGADHM [O-]c1cccc2sc(Nc3cnc(C4CC4)nc3)nc21 ZINC001174611580 809102617 /nfs/dbraw/zinc/10/26/17/809102617.db2.gz VWICHOSEINKASJ-UHFFFAOYSA-N -1 3 284.344 3.413 20 0 CGADHM CCO[C@@H](C)n1cc([N-]c2nnc(C(C)(C)C)s2)cn1 ZINC001174690404 809131313 /nfs/dbraw/zinc/13/13/13/809131313.db2.gz FYZAUHSKKFHNEO-VIFPVBQESA-N -1 3 295.412 3.331 20 0 CGADHM [O-]c1c(F)cc(Nc2ncccc2Cl)cc1F ZINC001213374904 815271892 /nfs/dbraw/zinc/27/18/92/815271892.db2.gz DWLHDMUJSZZNSM-UHFFFAOYSA-N -1 3 256.639 3.462 20 0 CGADHM [O-]c1c(F)cc(Nc2c(F)c(F)nc(F)c2F)cc1F ZINC001213371031 815271928 /nfs/dbraw/zinc/27/19/28/815271928.db2.gz UDPRZKWBIPTJBS-UHFFFAOYSA-N -1 3 294.154 3.365 20 0 CGADHM [O-]c1c(F)cc(Nc2ncc(F)cc2F)cc1F ZINC001213373261 815271984 /nfs/dbraw/zinc/27/19/84/815271984.db2.gz AOMHGHUMAYPIQL-UHFFFAOYSA-N -1 3 258.174 3.087 20 0 CGADHM Cn1nc2c(c1Nc1cc(F)c([O-])c(F)c1)CCCC2 ZINC001213375295 815272187 /nfs/dbraw/zinc/27/21/87/815272187.db2.gz WGSQARMIAFWMRL-UHFFFAOYSA-N -1 3 279.290 3.026 20 0 CGADHM CCOc1cc(F)cc([N-]c2nonc2C2CC2)c1 ZINC001175001798 809233883 /nfs/dbraw/zinc/23/38/83/809233883.db2.gz AQGXZBJAJPYMQD-UHFFFAOYSA-N -1 3 263.272 3.228 20 0 CGADHM COC(=O)c1cc(F)cc(Nc2cc(F)c([O-])c(F)c2)c1 ZINC001213384290 815273997 /nfs/dbraw/zinc/27/39/97/815273997.db2.gz DBTBGKCYNHQCOX-UHFFFAOYSA-N -1 3 297.232 3.340 20 0 CGADHM Cc1ccc(N)cc1Nc1cc(F)c([O-])c(F)c1 ZINC001213384249 815274726 /nfs/dbraw/zinc/27/47/26/815274726.db2.gz AQABJCVTMKCBSR-UHFFFAOYSA-N -1 3 250.248 3.305 20 0 CGADHM [O-]c1cc(Cl)c(Nc2ccncc2F)cc1Cl ZINC001175198036 809304306 /nfs/dbraw/zinc/30/43/06/809304306.db2.gz DUYKFTHOQNEAEJ-UHFFFAOYSA-N -1 3 273.094 3.399 20 0 CGADHM [O-]c1ccc(F)c(Nc2ccc(Cl)nc2)c1F ZINC001175261777 809328302 /nfs/dbraw/zinc/32/83/02/809328302.db2.gz PLBFQXQULOMVAP-UHFFFAOYSA-N -1 3 256.639 3.462 20 0 CGADHM CCOC(=O)c1occc1Nc1c(F)ccc([O-])c1F ZINC001175263641 809330176 /nfs/dbraw/zinc/33/01/76/809330176.db2.gz OCDOJBHTPFWOOK-UHFFFAOYSA-N -1 3 283.230 3.184 20 0 CGADHM [O-]c1ccc(F)c(Nc2cn(C3CCC3)cn2)c1F ZINC001175266008 809330942 /nfs/dbraw/zinc/33/09/42/809330942.db2.gz OKUTUYPPYQIGRL-UHFFFAOYSA-N -1 3 265.263 3.336 20 0 CGADHM CN(C)C(=O)c1cccc(Nc2c(F)ccc([O-])c2F)c1 ZINC001175268985 809332483 /nfs/dbraw/zinc/33/24/83/809332483.db2.gz UUWIKVWDZXKJDS-UHFFFAOYSA-N -1 3 292.285 3.116 20 0 CGADHM O=c1cc(Nc2cc(Cl)ccc2F)[nH]c(=S)[n-]1 ZINC001175299258 809343563 /nfs/dbraw/zinc/34/35/63/809343563.db2.gz GPHCGUGSTSCOLW-UHFFFAOYSA-N -1 3 271.704 3.007 20 0 CGADHM Cc1ccc(C(=O)N(C)Cc2ccc3cc[nH]c3c2)c([O-])c1 ZINC001175354155 809375494 /nfs/dbraw/zinc/37/54/94/809375494.db2.gz IOLXCLWZSRSVQY-UHFFFAOYSA-N -1 3 294.354 3.454 20 0 CGADHM c1cnc2cc(Nc3ccc(-c4nn[n-]n4)cc3)ccc2c1 ZINC001175428801 809401507 /nfs/dbraw/zinc/40/15/07/809401507.db2.gz LKHOXJFOJAODOS-UHFFFAOYSA-N -1 3 288.314 3.159 20 0 CGADHM Cc1ccc(F)cc1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175429235 809401574 /nfs/dbraw/zinc/40/15/74/809401574.db2.gz SUQAIFJIQDFNDH-UHFFFAOYSA-N -1 3 269.283 3.058 20 0 CGADHM Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1c(C)cccc1[O-] ZINC001292039659 809427125 /nfs/dbraw/zinc/42/71/25/809427125.db2.gz SAGARGVYNZURAO-HNNXBMFYSA-N -1 3 281.355 3.426 20 0 CGADHM CN1CCC=C(Nc2cc(Cl)c([O-])cc2Cl)C1 ZINC001175580017 809460035 /nfs/dbraw/zinc/46/00/35/809460035.db2.gz UFPQZAHJPUQNSQ-UHFFFAOYSA-N -1 3 273.163 3.330 20 0 CGADHM Cc1ccc(-c2noc(-c3cc(Cl)n[n-]3)n2)cc1C ZINC001213500676 815290588 /nfs/dbraw/zinc/29/05/88/815290588.db2.gz OWJXLBNNPMLYGO-UHFFFAOYSA-N -1 3 274.711 3.397 20 0 CGADHM CCCC[C@H](CCC)NC(=O)c1cc2c(cc1[O-])OCO2 ZINC001294376503 809467422 /nfs/dbraw/zinc/46/74/22/809467422.db2.gz MZVFMGSKQUGCIW-NSHDSACASA-N -1 3 293.363 3.210 20 0 CGADHM Clc1cc(-c2nc(-c3ccc4ccccc4n3)no2)[n-]n1 ZINC001213500587 815291163 /nfs/dbraw/zinc/29/11/63/815291163.db2.gz KFDINSRHDBNDFV-UHFFFAOYSA-N -1 3 297.705 3.328 20 0 CGADHM O=C(Nc1cccc([O-])c1F)C1(Nc2ccccc2)CC1 ZINC001295128597 809482238 /nfs/dbraw/zinc/48/22/38/809482238.db2.gz ZJCSSTZBYDMYIL-UHFFFAOYSA-N -1 3 286.306 3.115 20 0 CGADHM Clc1cc(-c2nc(-c3cncc4ccccc43)no2)[n-]n1 ZINC001213500786 815292523 /nfs/dbraw/zinc/29/25/23/815292523.db2.gz REBIJWJXQFUPTM-UHFFFAOYSA-N -1 3 297.705 3.328 20 0 CGADHM CSc1ncc([N-]c2nc3ccc(F)cc3o2)cn1 ZINC001175644530 809487183 /nfs/dbraw/zinc/48/71/83/809487183.db2.gz SOGNKSAEHAGVBI-UHFFFAOYSA-N -1 3 276.296 3.222 20 0 CGADHM CC(C)(C)Cc1ncc(C(=O)Nc2ncccc2[O-])s1 ZINC001296270245 809501305 /nfs/dbraw/zinc/50/13/05/809501305.db2.gz BFQZUQADQHLWJP-UHFFFAOYSA-N -1 3 291.376 3.085 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)Cc1c(C)cc(N(C)C)cc1C ZINC001298605968 809534407 /nfs/dbraw/zinc/53/44/07/809534407.db2.gz AYOPJFHVMHIVCW-GFCCVEGCSA-N -1 3 292.423 3.006 20 0 CGADHM Cc1cccc(C(=O)Nc2cc(F)cc(N(C)C)c2)c1[O-] ZINC001300246031 809564586 /nfs/dbraw/zinc/56/45/86/809564586.db2.gz DGPWCZWQORRSQV-UHFFFAOYSA-N -1 3 288.322 3.158 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2cccc3nsnc32)c1 ZINC001301684554 809585975 /nfs/dbraw/zinc/58/59/75/809585975.db2.gz FUYKSHWPURRWLY-UHFFFAOYSA-N -1 3 299.355 3.212 20 0 CGADHM O=c1cc(Nc2ccc(-c3ccccn3)cc2)[nH]c(=S)[n-]1 ZINC001176036697 809605999 /nfs/dbraw/zinc/60/59/99/809605999.db2.gz BYLYGNOVXLNSKB-UHFFFAOYSA-N -1 3 296.355 3.277 20 0 CGADHM C[C@H](CC(=O)Nc1ccc(F)c([O-])c1)C(F)(F)F ZINC001180089097 809972656 /nfs/dbraw/zinc/97/26/56/809972656.db2.gz WTXSTDPIFWCNKR-ZCFIWIBFSA-N -1 3 265.206 3.058 20 0 CGADHM O=C(Nc1ccc(F)c([O-])c1)[C@@H]1CC12CCCCC2 ZINC001181909948 810083621 /nfs/dbraw/zinc/08/36/21/810083621.db2.gz XAPXQWHQCGEDDR-NSHDSACASA-N -1 3 263.312 3.440 20 0 CGADHM O=C(Nc1ccc(F)c([O-])c1)C1CC2(C1)CC(F)(F)C2 ZINC001184202915 810182478 /nfs/dbraw/zinc/18/24/78/810182478.db2.gz WCPLBVBBJFGWPZ-UHFFFAOYSA-N -1 3 285.265 3.295 20 0 CGADHM CCCC[C@@H](CCC)C[N-]S(=O)(=O)c1ccc(C)o1 ZINC001188017189 810443518 /nfs/dbraw/zinc/44/35/18/810443518.db2.gz MDTVQINVNOTHNE-CYBMUJFWSA-N -1 3 287.425 3.473 20 0 CGADHM CSc1ccc(NC(=O)Nc2nc(C)ccc2[O-])cc1 ZINC001188075714 810451188 /nfs/dbraw/zinc/45/11/88/810451188.db2.gz KAKNRWYYCWGVDN-UHFFFAOYSA-N -1 3 289.360 3.462 20 0 CGADHM Cc1cccc([O-])c1C(=O)N[C@@H]1CCOc2cccc(C)c21 ZINC001188655356 810500026 /nfs/dbraw/zinc/50/00/26/810500026.db2.gz PQZXKEHAAUDUMD-CYBMUJFWSA-N -1 3 297.354 3.263 20 0 CGADHM Cc1cccc([O-])c1C(=O)Nc1ccc2oc(=O)ccc2c1 ZINC001188655521 810500180 /nfs/dbraw/zinc/50/01/80/810500180.db2.gz QGUZLUDRJOESCI-UHFFFAOYSA-N -1 3 295.294 3.059 20 0 CGADHM CCCc1ccc(C(=O)Nc2cncc([O-])c2)s1 ZINC001189505801 810574085 /nfs/dbraw/zinc/57/40/85/810574085.db2.gz UBNYBALQGAJLPM-UHFFFAOYSA-N -1 3 262.334 3.054 20 0 CGADHM O=S(=O)(CCCF)[N-]c1cccc2sccc21 ZINC001189915239 810594705 /nfs/dbraw/zinc/59/47/05/810594705.db2.gz JPJJCOHIWWAELR-UHFFFAOYSA-N -1 3 273.354 3.003 20 0 CGADHM Nc1ccc(F)cc1Nc1c(F)cc([O-])cc1F ZINC001214214770 815385301 /nfs/dbraw/zinc/38/53/01/815385301.db2.gz LADSYYUSPVDGHJ-UHFFFAOYSA-N -1 3 254.211 3.135 20 0 CGADHM CCCOc1ccccc1C(=O)Nc1nc(C)ccc1[O-] ZINC001190974263 810659878 /nfs/dbraw/zinc/65/98/78/810659878.db2.gz UWTGQVOEBMCIQS-UHFFFAOYSA-N -1 3 286.331 3.137 20 0 CGADHM COCOc1ccc(C)cc1[N-]c1nnc(C(C)C)o1 ZINC001214233930 815389696 /nfs/dbraw/zinc/38/96/96/815389696.db2.gz OVIKMYPHCGLGTL-UHFFFAOYSA-N -1 3 277.324 3.228 20 0 CGADHM CN(CC(F)(F)F)C(=O)c1ccc(C(C)(C)C)cc1[O-] ZINC001192314772 810785655 /nfs/dbraw/zinc/78/56/55/810785655.db2.gz SUFXTSPVRWYDHH-UHFFFAOYSA-N -1 3 289.297 3.324 20 0 CGADHM CC(C)c1csc(C(=O)Nc2ccc(F)c([O-])c2)n1 ZINC001193511387 810900659 /nfs/dbraw/zinc/90/06/59/810900659.db2.gz VCRUVNZHEIXDSF-UHFFFAOYSA-N -1 3 280.324 3.364 20 0 CGADHM Cc1ccc(-c2cc(C(=O)Nc3ncccc3[O-])c[nH]2)cc1 ZINC001193771465 810952040 /nfs/dbraw/zinc/95/20/40/810952040.db2.gz YDMLQPVGNKOKSW-UHFFFAOYSA-N -1 3 293.326 3.343 20 0 CGADHM COc1ccc(CO)c(Nc2c(Cl)ccc([O-])c2F)c1 ZINC001214563726 815424464 /nfs/dbraw/zinc/42/44/64/815424464.db2.gz POKNBZOHEDFEDO-UHFFFAOYSA-N -1 3 297.713 3.429 20 0 CGADHM CCC(CC)COC(=O)Nc1c([O-])cccc1C(=O)OC ZINC001194708743 811112777 /nfs/dbraw/zinc/11/27/77/811112777.db2.gz HMNDEZRWOBNLJH-UHFFFAOYSA-N -1 3 295.335 3.164 20 0 CGADHM [O-]c1ccc(Cl)c(Nc2ccnc(F)c2)c1F ZINC001214556262 815423020 /nfs/dbraw/zinc/42/30/20/815423020.db2.gz NISKRSVRFDXYNP-UHFFFAOYSA-N -1 3 256.639 3.462 20 0 CGADHM COC(=O)c1ccc(Nc2c(Cl)ccc([O-])c2F)o1 ZINC001214556489 815423115 /nfs/dbraw/zinc/42/31/15/815423115.db2.gz UQJQARNJGVBIKR-UHFFFAOYSA-N -1 3 285.658 3.308 20 0 CGADHM NC(=O)c1sccc1Nc1c(Cl)ccc([O-])c1F ZINC001214554409 815423176 /nfs/dbraw/zinc/42/31/76/815423176.db2.gz QKVCKURAYXATBV-UHFFFAOYSA-N -1 3 286.715 3.089 20 0 CGADHM Cc1cnc(Nc2c(Cl)ccc([O-])c2F)c(C)n1 ZINC001214556586 815423355 /nfs/dbraw/zinc/42/33/55/815423355.db2.gz ZAXVWMSFJCSHPP-UHFFFAOYSA-N -1 3 267.691 3.335 20 0 CGADHM O=C([N-]c1cccnc1F)c1snc(Cl)c1Cl ZINC001196333624 811334519 /nfs/dbraw/zinc/33/45/19/811334519.db2.gz GDUFVLUNARDRHX-UHFFFAOYSA-N -1 3 292.122 3.236 20 0 CGADHM O=C(Nc1ncccc1[O-])c1ccc(-c2cccs2)nc1 ZINC001196775801 811365491 /nfs/dbraw/zinc/36/54/91/811365491.db2.gz KKHWETXORZLDKS-UHFFFAOYSA-N -1 3 297.339 3.163 20 0 CGADHM O=C(Nc1ccc(F)c([O-])c1)c1cnccc1C1CC1 ZINC001197853047 811457730 /nfs/dbraw/zinc/45/77/30/811457730.db2.gz CIGFXUMPBREWGH-UHFFFAOYSA-N -1 3 272.279 3.056 20 0 CGADHM C=CS(=O)(=O)[N-]c1cc(C(C)(C)C)sc1C(C)=O ZINC001198569523 811518930 /nfs/dbraw/zinc/51/89/30/811518930.db2.gz DNQLRNGGBDUHGL-UHFFFAOYSA-N -1 3 287.406 3.133 20 0 CGADHM CC(C)c1oncc1C(=O)Nc1cc([O-])cc(Cl)c1 ZINC001199747051 811595330 /nfs/dbraw/zinc/59/53/30/811595330.db2.gz URTVBVMYAMZTQU-UHFFFAOYSA-N -1 3 280.711 3.409 20 0 CGADHM CC[C@@H](C)NC(=S)Nc1c([O-])cccc1Cl ZINC001200481656 811701334 /nfs/dbraw/zinc/70/13/34/811701334.db2.gz DEOQHDFABYSKOP-SSDOTTSWSA-N -1 3 258.774 3.131 20 0 CGADHM CC[C@H](C)NC(=S)Nc1ccc(C)c([O-])c1Cl ZINC001200487230 811703573 /nfs/dbraw/zinc/70/35/73/811703573.db2.gz MPXUFBHKSIXYKE-QMMMGPOBSA-N -1 3 272.801 3.439 20 0 CGADHM CC(=O)c1ccc(-c2noc(-c3ccccc3[O-])n2)c(F)c1 ZINC001215142164 815488010 /nfs/dbraw/zinc/48/80/10/815488010.db2.gz MTWBOKGSBYZZOI-UHFFFAOYSA-N -1 3 298.273 3.451 20 0 CGADHM [O-]c1cccc2sc(Nc3cnn(C(F)F)c3)nc21 ZINC001201723641 811947486 /nfs/dbraw/zinc/94/74/86/811947486.db2.gz YJCGPVISGKITOG-UHFFFAOYSA-N -1 3 282.275 3.337 20 0 CGADHM Cc1cccc(NC(=O)Nc2nc(C)ccc2[O-])c1 ZINC001202304981 812059178 /nfs/dbraw/zinc/05/91/78/812059178.db2.gz AWWBYWFLVSXNKL-UHFFFAOYSA-N -1 3 257.293 3.048 20 0 CGADHM Cc1ncccc1-c1noc(-c2cc([O-])ccc2Cl)n1 ZINC001215345928 815508321 /nfs/dbraw/zinc/50/83/21/815508321.db2.gz SRXINKFWJMXXPF-UHFFFAOYSA-N -1 3 287.706 3.466 20 0 CGADHM COc1ccc(C)cc1NC(=O)Nc1ccc(F)c([O-])c1 ZINC001202868561 812189555 /nfs/dbraw/zinc/18/95/55/812189555.db2.gz DSDHPVVXVPLKNT-UHFFFAOYSA-N -1 3 290.294 3.492 20 0 CGADHM CN1CCc2ccc(Nc3ccsc3C(=O)[O-])cc2C1 ZINC001215397935 815516485 /nfs/dbraw/zinc/51/64/85/815516485.db2.gz UGUQWAOHWYOCFC-UHFFFAOYSA-N -1 3 288.372 3.178 20 0 CGADHM COc1ncc(Nc2cccc(Cl)c2[O-])cc1F ZINC001203409266 812346312 /nfs/dbraw/zinc/34/63/12/812346312.db2.gz YKXGEJQWMQGUTO-UHFFFAOYSA-N -1 3 268.675 3.332 20 0 CGADHM Cc1ncc(Nc2ccc(F)c(OC(C)C)c2)c(=O)[n-]1 ZINC001215498027 815525834 /nfs/dbraw/zinc/52/58/34/815525834.db2.gz GFHJLBQXJGUXBH-UHFFFAOYSA-N -1 3 277.299 3.161 20 0 CGADHM COc1ccc(C)nc1Nc1cc(F)c([O-])cc1F ZINC001215572459 815537185 /nfs/dbraw/zinc/53/71/85/815537185.db2.gz XKSGWYYFVKSNAC-UHFFFAOYSA-N -1 3 266.247 3.126 20 0 CGADHM Cc1cnc(Nc2cc(F)c([O-])cc2F)c(F)c1 ZINC001215571613 815537474 /nfs/dbraw/zinc/53/74/74/815537474.db2.gz FYAIEFDQZLCRRU-UHFFFAOYSA-N -1 3 254.211 3.257 20 0 CGADHM [O-]c1cc(F)c(Nc2cncnc2C(F)(F)F)cc1F ZINC001215572246 815537791 /nfs/dbraw/zinc/53/77/91/815537791.db2.gz AJTVUPHHPWDWIT-UHFFFAOYSA-N -1 3 291.179 3.223 20 0 CGADHM Cc1nn(-c2cc(F)c([O-])cc2F)c2cc(N)cc(F)c12 ZINC001215573361 815538625 /nfs/dbraw/zinc/53/86/25/815538625.db2.gz HAVKIBWANXGXGV-UHFFFAOYSA-N -1 3 293.248 3.039 20 0 CGADHM Fc1ccc(-c2cccc(-c3nnn[n-]3)c2)c(Cl)c1F ZINC001205690139 813053342 /nfs/dbraw/zinc/05/33/42/813053342.db2.gz UKMMBRWIXRVXDH-UHFFFAOYSA-N -1 3 292.676 3.465 20 0 CGADHM Fc1ccc(-c2cccc(-c3nn[n-]n3)c2)c(Cl)c1F ZINC001205690139 813053349 /nfs/dbraw/zinc/05/33/49/813053349.db2.gz UKMMBRWIXRVXDH-UHFFFAOYSA-N -1 3 292.676 3.465 20 0 CGADHM COc1ccc2cnc(-c3ccc([O-])cc3F)nc2c1 ZINC001206030274 813172721 /nfs/dbraw/zinc/17/27/21/813172721.db2.gz SWDZNWQZTXGIHW-UHFFFAOYSA-N -1 3 270.263 3.150 20 0 CGADHM CCOC(=O)CCc1cccnc1-c1ccc([O-])cc1F ZINC001206044643 813179377 /nfs/dbraw/zinc/17/93/77/813179377.db2.gz QNOREAXAQQIKMG-UHFFFAOYSA-N -1 3 289.306 3.089 20 0 CGADHM COc1nc2[nH]ccc2cc1-c1ccc([O-])cc1F ZINC001206073463 813191909 /nfs/dbraw/zinc/19/19/09/813191909.db2.gz VTIKIUUIWJEYSC-UHFFFAOYSA-N -1 3 258.252 3.035 20 0 CGADHM COc1c(F)ccc(-c2ccc([O-])cc2F)c1F ZINC001206073658 813192353 /nfs/dbraw/zinc/19/23/53/813192353.db2.gz XWQAUHDUXMEMLM-UHFFFAOYSA-N -1 3 254.207 3.485 20 0 CGADHM CC(C)(C)Oc1ncccc1Nc1ncc(F)cc1[O-] ZINC001206494836 813334309 /nfs/dbraw/zinc/33/43/09/813334309.db2.gz KAIJTGOKBCWKJZ-UHFFFAOYSA-N -1 3 277.299 3.242 20 0 CGADHM CC(=O)c1cc(-c2cc(C(F)(F)F)[n-]c(=S)n2)ccn1 ZINC001242609079 823058913 /nfs/dbraw/zinc/05/89/13/823058913.db2.gz OSGHVEFYYSABHW-UHFFFAOYSA-N -1 3 299.277 3.049 20 0 CGADHM Cc1cc(N(C)C)ncc1Nc1cc([O-])c(F)c(F)c1 ZINC001206744035 813417478 /nfs/dbraw/zinc/41/74/78/813417478.db2.gz PMVAEGHMPAXMCU-UHFFFAOYSA-N -1 3 279.290 3.183 20 0 CGADHM [O-]c1cc(Br)cnc1Nc1cc(O)cc(F)c1 ZINC001206759991 813424764 /nfs/dbraw/zinc/42/47/64/813424764.db2.gz APCVNDRDQNSYTE-UHFFFAOYSA-N -1 3 299.099 3.138 20 0 CGADHM c1ccc(-c2cccc(OCC3CC3)c2)c(-c2nnn[n-]2)c1 ZINC001206764308 813428580 /nfs/dbraw/zinc/42/85/80/813428580.db2.gz VUIFNSAJTNTDDG-UHFFFAOYSA-N -1 3 292.342 3.323 20 0 CGADHM c1ccc(-c2cccc(OCC3CC3)c2)c(-c2nn[n-]n2)c1 ZINC001206764308 813428587 /nfs/dbraw/zinc/42/85/87/813428587.db2.gz VUIFNSAJTNTDDG-UHFFFAOYSA-N -1 3 292.342 3.323 20 0 CGADHM COc1cc(C(C)=O)ccc1Nc1cc([O-])cc(F)c1 ZINC001206823143 813446906 /nfs/dbraw/zinc/44/69/06/813446906.db2.gz VJUXOTWOBHIHFQ-UHFFFAOYSA-N -1 3 275.279 3.486 20 0 CGADHM Cc1ccc(CO)cc1-c1ccc2c(c1)[N-]C(=S)C2 ZINC001242670349 823092670 /nfs/dbraw/zinc/09/26/70/823092670.db2.gz KPBYMKLBACPQFH-UHFFFAOYSA-N -1 3 269.369 3.450 20 0 CGADHM CC(C)Oc1ccc(Nc2cc(=O)[n-]c(=S)[nH]2)cc1F ZINC001209997204 814236076 /nfs/dbraw/zinc/23/60/76/814236076.db2.gz UKTWLPPOQFXOQP-UHFFFAOYSA-N -1 3 295.339 3.141 20 0 CGADHM O=c1cc(Nc2ccc(F)cc2O)[n-]n1-c1ccccc1 ZINC001210016221 814245428 /nfs/dbraw/zinc/24/54/28/814245428.db2.gz YABOKESOIVQKFC-UHFFFAOYSA-N -1 3 285.278 3.166 20 0 CGADHM [O-]c1c(Cl)cccc1Nc1cc2ccccn2n1 ZINC001210218649 814346468 /nfs/dbraw/zinc/34/64/68/814346468.db2.gz BDVPQKREOVAMMS-UHFFFAOYSA-N -1 3 259.696 3.437 20 0 CGADHM NC(=O)c1ccc(F)cc1Nc1cccc(Cl)c1[O-] ZINC001210222130 814348597 /nfs/dbraw/zinc/34/85/97/814348597.db2.gz PGUFEMQNAULUQS-UHFFFAOYSA-N -1 3 280.686 3.027 20 0 CGADHM CC(=O)c1ncccc1Nc1cccc(Cl)c1[O-] ZINC001210220109 814348646 /nfs/dbraw/zinc/34/86/46/814348646.db2.gz MJOSCMDBOVTNLU-UHFFFAOYSA-N -1 3 262.696 3.387 20 0 CGADHM O=C1NCc2cc(Nc3cccc(Cl)c3[O-])ccc2N1 ZINC001210222898 814351659 /nfs/dbraw/zinc/35/16/59/814351659.db2.gz ZGZUOXDJKGOWNW-UHFFFAOYSA-N -1 3 289.722 3.424 20 0 CGADHM Cc1cc(Cl)cc(Nc2ccc(C(N)=O)c([O-])c2)c1 ZINC001210463229 814470524 /nfs/dbraw/zinc/47/05/24/814470524.db2.gz AFQKYSXVMGWXTP-UHFFFAOYSA-N -1 3 276.723 3.197 20 0 CGADHM Oc1ccc(F)c(-c2ccc3c(c2)[N-]C(=S)C3)c1 ZINC001242765086 823125847 /nfs/dbraw/zinc/12/58/47/823125847.db2.gz BHHRYEQCWTVKQV-UHFFFAOYSA-N -1 3 259.305 3.494 20 0 CGADHM [O-]c1c(F)cc(Nc2cccnc2OC(F)F)cc1F ZINC001210627397 814562171 /nfs/dbraw/zinc/56/21/71/814562171.db2.gz BNXKWVWFPJCANJ-UHFFFAOYSA-N -1 3 288.200 3.410 20 0 CGADHM CCOc1ccnc(-c2cc([O-])cc(C(F)(F)F)c2)n1 ZINC001242780595 823131257 /nfs/dbraw/zinc/13/12/57/823131257.db2.gz SJFVLWFOTDINTP-UHFFFAOYSA-N -1 3 284.237 3.267 20 0 CGADHM Cc1cc2ncc(C)c(Nc3cccc([O-])c3Cl)n2n1 ZINC001210844492 814649267 /nfs/dbraw/zinc/64/92/67/814649267.db2.gz KLDRXGFGCMJGJK-UHFFFAOYSA-N -1 3 288.738 3.449 20 0 CGADHM COC(=O)c1cc(C)c(Nc2cccc([O-])c2Cl)cn1 ZINC001210851842 814650546 /nfs/dbraw/zinc/65/05/46/814650546.db2.gz NGLDSUPUMRBJJX-UHFFFAOYSA-N -1 3 292.722 3.279 20 0 CGADHM Cc1cnn2cc(Nc3cccc([O-])c3Cl)cnc12 ZINC001210854051 814652507 /nfs/dbraw/zinc/65/25/07/814652507.db2.gz XCDSTEREYHPERF-UHFFFAOYSA-N -1 3 274.711 3.140 20 0 CGADHM Cc1cn(-c2cccc([O-])c2Cl)c2ncc(N)cc12 ZINC001210855841 814653778 /nfs/dbraw/zinc/65/37/78/814653778.db2.gz ZVHDAJQPBYSQTC-UHFFFAOYSA-N -1 3 273.723 3.275 20 0 CGADHM CC(C)c1cc(Nc2ncc(F)cc2[O-])ccc1O ZINC001215844638 815611855 /nfs/dbraw/zinc/61/18/55/815611855.db2.gz LIWDJUBOVKXNLC-UHFFFAOYSA-N -1 3 262.284 3.499 20 0 CGADHM CSc1cc(F)cc(Nc2cc(=O)[n-]c(=S)[nH]2)c1 ZINC001215901843 815624164 /nfs/dbraw/zinc/62/41/64/815624164.db2.gz BSDVYXDFUWCZRD-UHFFFAOYSA-N -1 3 283.353 3.076 20 0 CGADHM CSc1ncc(Cl)cc1[N-]c1noc2nccnc12 ZINC001215915000 815628657 /nfs/dbraw/zinc/62/86/57/815628657.db2.gz DLKBKESRMMFZOK-UHFFFAOYSA-N -1 3 293.739 3.132 20 0 CGADHM CSc1ncc(Cl)cc1Nc1cnc(C)[n-]c1=O ZINC001215917968 815629782 /nfs/dbraw/zinc/62/97/82/815629782.db2.gz SQHVFSWCVVLZFM-UHFFFAOYSA-N -1 3 282.756 3.005 20 0 CGADHM CSc1ncc(Nc2cc(=O)[n-]c(C)n2)cc1Cl ZINC001216026406 815663829 /nfs/dbraw/zinc/66/38/29/815663829.db2.gz JFNUPVNTPXUGAT-UHFFFAOYSA-N -1 3 282.756 3.005 20 0 CGADHM Cc1cc([N-]c2nnc(-c3ccco3)o2)cc(O)c1F ZINC001216077189 815683073 /nfs/dbraw/zinc/68/30/73/815683073.db2.gz AWXUZYWCKPVTRT-UHFFFAOYSA-N -1 3 275.239 3.226 20 0 CGADHM Cc1cc([N-]c2nnc(-c3ccco3)o2)cc(C)c1CO ZINC001216117042 815703090 /nfs/dbraw/zinc/70/30/90/815703090.db2.gz DJEFAQKLUKFLCY-UHFFFAOYSA-N -1 3 285.303 3.182 20 0 CGADHM CNc1cc(F)cc([N-]c2nnc(C(C)C)o2)c1 ZINC001216184673 815724885 /nfs/dbraw/zinc/72/48/85/815724885.db2.gz WQDUPTUPIDNFNJ-UHFFFAOYSA-N -1 3 250.277 3.117 20 0 CGADHM Cc1ncc(Nc2cc(F)ccc2Cl)c(=O)[n-]1 ZINC001216478263 815835900 /nfs/dbraw/zinc/83/59/00/815835900.db2.gz OZEWDWAEHKPGIH-UHFFFAOYSA-N -1 3 253.664 3.027 20 0 CGADHM CC(C)Oc1ncc(Nc2cccc(Cl)c2[O-])cn1 ZINC001216619802 815877103 /nfs/dbraw/zinc/87/71/03/815877103.db2.gz QOMZLHYPFIAILD-UHFFFAOYSA-N -1 3 279.727 3.366 20 0 CGADHM COc1ccc(-c2noc(-c3ccc([O-])cc3OC)n2)cc1 ZINC001217085161 815908841 /nfs/dbraw/zinc/90/88/41/815908841.db2.gz HBRZQHQZWNTWOA-UHFFFAOYSA-N -1 3 298.298 3.126 20 0 CGADHM O=C(Nc1ccc(F)c([O-])c1)[C@H]1CCNc2ccccc21 ZINC001218877703 816256849 /nfs/dbraw/zinc/25/68/49/816256849.db2.gz PSPFNCRJEWDDCX-LBPRGKRZSA-N -1 3 286.306 3.069 20 0 CGADHM CC1(C)C(=O)Nc2cc(-c3ccc(F)c([O-])c3)ccc21 ZINC001243046397 823223631 /nfs/dbraw/zinc/22/36/31/823223631.db2.gz GJRZUMRCTSNZTE-UHFFFAOYSA-N -1 3 271.291 3.428 20 0 CGADHM O=c1c(-c2ccc(F)c([O-])c2)cccn1-c1ccccc1 ZINC001243046458 823223767 /nfs/dbraw/zinc/22/37/67/823223767.db2.gz IDBWPQJLJUYQKC-UHFFFAOYSA-N -1 3 281.286 3.349 20 0 CGADHM Cc1nc(-c2cccnc2)cc(-c2ccc(F)c([O-])c2)n1 ZINC001243047989 823224490 /nfs/dbraw/zinc/22/44/90/823224490.db2.gz CMFHCAWQNUTEIE-UHFFFAOYSA-N -1 3 281.290 3.359 20 0 CGADHM [O-]c1cc(-c2cccc(CN3CCOCC3)c2)ccc1F ZINC001243050944 823227722 /nfs/dbraw/zinc/22/77/22/823227722.db2.gz ILECFAOYGYCFRI-UHFFFAOYSA-N -1 3 287.334 3.031 20 0 CGADHM O=C1OCc2cc(-c3ccc(F)c([O-])c3)cc(F)c21 ZINC001243052070 823228750 /nfs/dbraw/zinc/22/87/50/823228750.db2.gz WYHDSDPGCAETAY-UHFFFAOYSA-N -1 3 262.211 3.008 20 0 CGADHM O=C1CCCc2cc(-c3ccc(F)c([O-])c3)ccc2N1 ZINC001243063167 823233021 /nfs/dbraw/zinc/23/30/21/823233021.db2.gz UMLJYOARZJIAMD-UHFFFAOYSA-N -1 3 271.291 3.473 20 0 CGADHM Cc1cnc(=S)[n-]c1O[C@H](C(C)C)C(F)(F)F ZINC001225742145 817163770 /nfs/dbraw/zinc/16/37/70/817163770.db2.gz HZSBXBTUCNTGPI-SSDOTTSWSA-N -1 3 266.288 3.039 20 0 CGADHM Cc1cnc(=S)[n-]c1O[C@H](C)CCc1ccccc1 ZINC001225742631 817164300 /nfs/dbraw/zinc/16/43/00/817164300.db2.gz NXDKUUUBIOLKIQ-GFCCVEGCSA-N -1 3 274.389 3.474 20 0 CGADHM FC(F)(F)c1cc(OC2CCCCC2)nc(=S)[n-]1 ZINC001225854588 817196805 /nfs/dbraw/zinc/19/68/05/817196805.db2.gz WJQZVGUUDKDYGF-UHFFFAOYSA-N -1 3 278.299 3.496 20 0 CGADHM CC(=O)c1ccc([O-])c(O[C@@H]2CCCC[C@H]2F)c1 ZINC001225994249 817242545 /nfs/dbraw/zinc/24/25/45/817242545.db2.gz MBCPMOQFZUYVNA-DGCLKSJQSA-N -1 3 252.285 3.254 20 0 CGADHM Cc1c(O[C@@H](c2ccccc2)C(C)C)nc[n-]c1=O ZINC001226077680 817267032 /nfs/dbraw/zinc/26/70/32/817267032.db2.gz UGKOWTLYJYBSRN-CYBMUJFWSA-N -1 3 258.321 3.267 20 0 CGADHM C[C@@H](Oc1[n-]c(=S)ncc1C1CC1)c1cccnc1F ZINC001226119889 817278361 /nfs/dbraw/zinc/27/83/61/817278361.db2.gz PORSLGMLLODGTP-MRVPVSSYSA-N -1 3 291.351 3.317 20 0 CGADHM C[C@H](Oc1[n-]c(=O)nc2nc(Cl)ccc21)C1CCCC1 ZINC001226557308 817396568 /nfs/dbraw/zinc/39/65/68/817396568.db2.gz ZWHNWLSXDKLMPJ-QMMMGPOBSA-N -1 3 293.754 3.341 20 0 CGADHM Cc1ccc([C@@H](C)Oc2c([O-])ccc3ccc(=O)oc32)cn1 ZINC001226597871 817409911 /nfs/dbraw/zinc/40/99/11/817409911.db2.gz WXKJSOIYWICHBW-LLVKDONJSA-N -1 3 297.310 3.342 20 0 CGADHM C[C@H](Oc1cc(=O)[n-]cn1)c1ccccc1C(F)(F)F ZINC001226945744 817512737 /nfs/dbraw/zinc/51/27/37/817512737.db2.gz APOZFHMUMXRLKU-QMMMGPOBSA-N -1 3 284.237 3.341 20 0 CGADHM CCc1cnc(=S)[n-]c1O[C@@H](C)c1cccnc1F ZINC001227060533 817546951 /nfs/dbraw/zinc/54/69/51/817546951.db2.gz CFSOCHGLDDMINN-QMMMGPOBSA-N -1 3 279.340 3.002 20 0 CGADHM Cc1ccc(Cl)cc1[C@@H](C)Oc1ccc(=O)[n-]n1 ZINC001227093265 817555136 /nfs/dbraw/zinc/55/51/36/817555136.db2.gz JUOBWYUCILOQMM-SECBINFHSA-N -1 3 264.712 3.284 20 0 CGADHM C[C@H](Oc1cc(=O)cc(C(F)(F)F)[n-]1)C(F)(F)F ZINC001227584029 817676513 /nfs/dbraw/zinc/67/65/13/817676513.db2.gz PNAUPFZNBCPWAV-BYPYZUCNSA-N -1 3 275.148 3.136 20 0 CGADHM C[C@@H]1CC[C@@H](Oc2nnc(-c3cccnc3)[n-]2)C[C@@H]1C ZINC001228698120 817977134 /nfs/dbraw/zinc/97/71/34/817977134.db2.gz NCJLYCQXMYWZBN-NTZNESFSSA-N -1 3 272.352 3.070 20 0 CGADHM C[C@@H]1CC[C@@H](Oc2nc(-c3cccnc3)n[n-]2)C[C@@H]1C ZINC001228698120 817977135 /nfs/dbraw/zinc/97/71/35/817977135.db2.gz NCJLYCQXMYWZBN-NTZNESFSSA-N -1 3 272.352 3.070 20 0 CGADHM C[C@@H]1CC[C@@H](Oc2n[n-]c(-c3cccnc3)n2)C[C@@H]1C ZINC001228698120 817977140 /nfs/dbraw/zinc/97/71/40/817977140.db2.gz NCJLYCQXMYWZBN-NTZNESFSSA-N -1 3 272.352 3.070 20 0 CGADHM CC(C)CC[C@H](C)Oc1nnc(-c2cccnc2)[n-]1 ZINC001228699074 817978894 /nfs/dbraw/zinc/97/88/94/817978894.db2.gz VBMQMZSUMNPTSO-NSHDSACASA-N -1 3 260.341 3.070 20 0 CGADHM CC(C)CC[C@H](C)Oc1nc(-c2cccnc2)n[n-]1 ZINC001228699074 817978899 /nfs/dbraw/zinc/97/88/99/817978899.db2.gz VBMQMZSUMNPTSO-NSHDSACASA-N -1 3 260.341 3.070 20 0 CGADHM CC(C)CC[C@H](C)Oc1n[n-]c(-c2cccnc2)n1 ZINC001228699074 817978905 /nfs/dbraw/zinc/97/89/05/817978905.db2.gz VBMQMZSUMNPTSO-NSHDSACASA-N -1 3 260.341 3.070 20 0 CGADHM C[C@@H](Oc1cc2c(cc1[O-])CCC2=O)c1ccncc1F ZINC001228854554 818023709 /nfs/dbraw/zinc/02/37/09/818023709.db2.gz SIWHWFBIDXVUMM-SECBINFHSA-N -1 3 287.290 3.195 20 0 CGADHM c1cc(OC2CCCCCCC2)cc(-c2nnn[n-]2)c1 ZINC001231118058 818034198 /nfs/dbraw/zinc/03/41/98/818034198.db2.gz IRXMVKYRTHSQSD-UHFFFAOYSA-N -1 3 272.352 3.358 20 0 CGADHM c1cc(OC2CCCCCCC2)cc(-c2nn[n-]n2)c1 ZINC001231118058 818034201 /nfs/dbraw/zinc/03/42/01/818034201.db2.gz IRXMVKYRTHSQSD-UHFFFAOYSA-N -1 3 272.352 3.358 20 0 CGADHM COc1cccc([C@@H](C)Oc2cccc(-c3nnn[n-]3)c2)c1 ZINC001231119018 818035456 /nfs/dbraw/zinc/03/54/56/818035456.db2.gz XZRYITHFNHYEGX-LLVKDONJSA-N -1 3 296.330 3.015 20 0 CGADHM COc1cccc([C@@H](C)Oc2cccc(-c3nn[n-]n3)c2)c1 ZINC001231119018 818035465 /nfs/dbraw/zinc/03/54/65/818035465.db2.gz XZRYITHFNHYEGX-LLVKDONJSA-N -1 3 296.330 3.015 20 0 CGADHM C[C@@H]1CC[C@H](Oc2cccc(-c3nnn[n-]3)c2)C[C@@H]1C ZINC001231118979 818036371 /nfs/dbraw/zinc/03/63/71/818036371.db2.gz XPMSYXPIPDQAQY-SUNKGSAMSA-N -1 3 272.352 3.070 20 0 CGADHM C[C@@H]1CC[C@H](Oc2cccc(-c3nn[n-]n3)c2)C[C@@H]1C ZINC001231118979 818036378 /nfs/dbraw/zinc/03/63/78/818036378.db2.gz XPMSYXPIPDQAQY-SUNKGSAMSA-N -1 3 272.352 3.070 20 0 CGADHM [O-]c1ccc(CN2C[C@@H]3C[C@@H]3[C@@H](F)C2)cc1C(F)(F)F ZINC001231522883 818120671 /nfs/dbraw/zinc/12/06/71/818120671.db2.gz LCSRPOBSAOCSAU-NHCYSSNCSA-N -1 3 289.272 3.201 20 0 CGADHM COc1ccc(-c2ccc3c(c2)[N-]C(=S)C3)c(CO)c1 ZINC001243252483 823315731 /nfs/dbraw/zinc/31/57/31/823315731.db2.gz NRZGFQALGQGELU-UHFFFAOYSA-N -1 3 285.368 3.150 20 0 CGADHM CC(C)Oc1cccc(F)c1-c1ccccc1-c1nnn[n-]1 ZINC001243263859 823317203 /nfs/dbraw/zinc/31/72/03/823317203.db2.gz VZOCLUPJRDAKAC-UHFFFAOYSA-N -1 3 298.321 3.460 20 0 CGADHM CC(C)Oc1cccc(F)c1-c1ccccc1-c1nn[n-]n1 ZINC001243263859 823317207 /nfs/dbraw/zinc/31/72/07/823317207.db2.gz VZOCLUPJRDAKAC-UHFFFAOYSA-N -1 3 298.321 3.460 20 0 CGADHM [O-]c1c(F)ccc(CN2CC[C@H]3CCC[C@H]3C2)c1F ZINC001232934844 818476070 /nfs/dbraw/zinc/47/60/70/818476070.db2.gz XCHCHVJMIBAGCT-MNOVXSKESA-N -1 3 267.319 3.292 20 0 CGADHM CCC1CCN(Cc2cc([O-])c(F)c(F)c2)CC1 ZINC001232970285 818488856 /nfs/dbraw/zinc/48/88/56/818488856.db2.gz IQPFAHJTAQNTSX-UHFFFAOYSA-N -1 3 255.308 3.292 20 0 CGADHM C[C@@]1(F)CCCCN(Cc2cccc([O-])c2F)C1 ZINC001233049935 818509758 /nfs/dbraw/zinc/50/97/58/818509758.db2.gz JEQZWPAPGZNVTD-CQSZACIVSA-N -1 3 255.308 3.245 20 0 CGADHM COc1ccc2c(c1)CCN(Cc1cccc([O-])c1F)C2 ZINC001233050557 818509969 /nfs/dbraw/zinc/50/99/69/818509969.db2.gz PPZWCIKIEDFXSI-UHFFFAOYSA-N -1 3 287.334 3.098 20 0 CGADHM Clc1cc2n[nH]cc2c(-c2ccccc2-c2nnn[n-]2)c1 ZINC001243317262 823343274 /nfs/dbraw/zinc/34/32/74/823343274.db2.gz UUJOEMXGUFEHLO-UHFFFAOYSA-N -1 3 296.721 3.063 20 0 CGADHM Clc1cc2n[nH]cc2c(-c2ccccc2-c2nn[n-]n2)c1 ZINC001243317262 823343282 /nfs/dbraw/zinc/34/32/82/823343282.db2.gz UUJOEMXGUFEHLO-UHFFFAOYSA-N -1 3 296.721 3.063 20 0 CGADHM C[C@@H]1CCN(Cc2c(F)ccc([O-])c2F)[C@H](C)C1 ZINC001233395535 818608597 /nfs/dbraw/zinc/60/85/97/818608597.db2.gz ARPVGBZHESSJLQ-NXEZZACHSA-N -1 3 255.308 3.291 20 0 CGADHM CCCCOC1CN(Cc2ccc(OC)c([O-])c2Cl)C1 ZINC001233400687 818612665 /nfs/dbraw/zinc/61/26/65/818612665.db2.gz TWCMDMAFPNDWKC-UHFFFAOYSA-N -1 3 299.798 3.055 20 0 CGADHM COC(=O)[C@@H]1CC[C@H](Oc2cc(Cl)c([O-])cc2C)C1 ZINC001233590862 818650530 /nfs/dbraw/zinc/65/05/30/818650530.db2.gz BBIMKHDJJXTRRI-ZJUUUORDSA-N -1 3 284.739 3.075 20 0 CGADHM Cc1ccc([C@H](C)Oc2ccc3occ([O-])c3c2)cn1 ZINC001233677391 818677054 /nfs/dbraw/zinc/67/70/54/818677054.db2.gz KCTMEUJMTNGCKJ-NSHDSACASA-N -1 3 269.300 3.105 20 0 CGADHM C[C@@H](Oc1ccc2occ([O-])c2c1)c1cccs1 ZINC001233677891 818677752 /nfs/dbraw/zinc/67/77/52/818677752.db2.gz PMJCNGXHJFNYND-SECBINFHSA-N -1 3 260.314 3.463 20 0 CGADHM [O-]c1cccc(OC[C@@H]2CCc3ccccc3O2)c1F ZINC001233867828 818720676 /nfs/dbraw/zinc/72/06/76/818720676.db2.gz JSXLLWRXBHVCMP-LBPRGKRZSA-N -1 3 274.291 3.304 20 0 CGADHM NC(=O)c1c([O-])cccc1O[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC001234148696 818792533 /nfs/dbraw/zinc/79/25/33/818792533.db2.gz JEKWCJUKCALKQV-RWMBFGLXSA-N -1 3 289.375 3.229 20 0 CGADHM Cn1c(-c2cc(F)cc(-c3nnn[n-]3)c2)cc2ccccc21 ZINC001243355990 823364754 /nfs/dbraw/zinc/36/47/54/823364754.db2.gz MLKUQWKMSLDMCO-UHFFFAOYSA-N -1 3 293.305 3.165 20 0 CGADHM Cn1c(-c2cc(F)cc(-c3nn[n-]n3)c2)cc2ccccc21 ZINC001243355990 823364760 /nfs/dbraw/zinc/36/47/60/823364760.db2.gz MLKUQWKMSLDMCO-UHFFFAOYSA-N -1 3 293.305 3.165 20 0 CGADHM C[C@H]1CC[C@@H](COc2c(Cl)ccc([O-])c2F)O1 ZINC001234264836 818821398 /nfs/dbraw/zinc/82/13/98/818821398.db2.gz SYKOSTVOWLGMRT-YUMQZZPRSA-N -1 3 260.692 3.131 20 0 CGADHM [O-]c1cc(Cl)cc(-c2ccc(N3CCCCC3)nn2)c1 ZINC001235899800 819209157 /nfs/dbraw/zinc/20/91/57/819209157.db2.gz OSJNPVCZGCYYJU-UHFFFAOYSA-N -1 3 289.766 3.493 20 0 CGADHM COc1ncc(F)cc1-c1cc([O-])cc(Cl)c1 ZINC001235904446 819214692 /nfs/dbraw/zinc/21/46/92/819214692.db2.gz STFAEZAQDHHMDG-UHFFFAOYSA-N -1 3 253.660 3.255 20 0 CGADHM Cc1ccc(-c2cncc(OC(C)C)c2)cc1-c1nnn[n-]1 ZINC001236523429 819514746 /nfs/dbraw/zinc/51/47/46/819514746.db2.gz XZZJCABGFDZBIO-UHFFFAOYSA-N -1 3 295.346 3.024 20 0 CGADHM Cc1ccc(-c2cncc(OC(C)C)c2)cc1-c1nn[n-]n1 ZINC001236523429 819514751 /nfs/dbraw/zinc/51/47/51/819514751.db2.gz XZZJCABGFDZBIO-UHFFFAOYSA-N -1 3 295.346 3.024 20 0 CGADHM [O-]c1cc(CN2CCc3nc(Cl)ccc3C2)ccc1F ZINC001236704982 819576562 /nfs/dbraw/zinc/57/65/62/819576562.db2.gz HUZGMQUIQGWWJL-UHFFFAOYSA-N -1 3 292.741 3.138 20 0 CGADHM O=C(c1ccccc1)[C@@H]1CCN(Cc2ccc(F)c([O-])c2)C1 ZINC001236708242 819578585 /nfs/dbraw/zinc/57/85/85/819578585.db2.gz PFDCGIYBPGDZIW-OAHLLOKOSA-N -1 3 299.345 3.236 20 0 CGADHM [O-]c1cc(CN2CCc3cc(F)c(F)cc3C2)ccc1F ZINC001236715565 819580273 /nfs/dbraw/zinc/58/02/73/819580273.db2.gz YSGSUYLKUSTHHW-UHFFFAOYSA-N -1 3 293.288 3.368 20 0 CGADHM CN(C)C(=O)c1ccc(F)c(-c2cccc([O-])c2F)c1 ZINC001243548527 823440308 /nfs/dbraw/zinc/44/03/08/823440308.db2.gz FWOQBNFHCFTRQX-UHFFFAOYSA-N -1 3 277.270 3.039 20 0 CGADHM CCOC(=O)c1ccc(-c2cccc([O-])c2F)nc1C ZINC001243541945 823435927 /nfs/dbraw/zinc/43/59/27/823435927.db2.gz KPNKDBCSEVCSJF-UHFFFAOYSA-N -1 3 275.279 3.078 20 0 CGADHM Cc1nc2ccccc2nc1-c1cccc([O-])c1F ZINC001243542914 823436490 /nfs/dbraw/zinc/43/64/90/823436490.db2.gz PVMGAMPBDMLFLP-UHFFFAOYSA-N -1 3 254.264 3.450 20 0 CGADHM O=C1CCCN1c1ccc(-c2cccc([O-])c2F)cc1 ZINC001243544119 823437193 /nfs/dbraw/zinc/43/71/93/823437193.db2.gz BGMQVBNTFIQDPA-UHFFFAOYSA-N -1 3 271.291 3.325 20 0 CGADHM CCSc1cncc(-c2cccc([O-])c2F)n1 ZINC001243544834 823437302 /nfs/dbraw/zinc/43/73/02/823437302.db2.gz VOUBVSPGQAJERG-UHFFFAOYSA-N -1 3 250.298 3.100 20 0 CGADHM CSc1cc(-c2cccc([O-])c2F)nc(SC)n1 ZINC001243546875 823438855 /nfs/dbraw/zinc/43/88/55/823438855.db2.gz QMIKUHPWJDTPMC-UHFFFAOYSA-N -1 3 282.365 3.432 20 0 CGADHM Cc1cc2ccncc2nc1-c1cccc([O-])c1F ZINC001243546072 823439234 /nfs/dbraw/zinc/43/92/34/823439234.db2.gz HCLBJRBFFIFFPP-UHFFFAOYSA-N -1 3 254.264 3.450 20 0 CGADHM [O-]c1cc(F)c(CN2C[C@@H]3CCC[C@H]3C2)cc1Cl ZINC001238142607 819941139 /nfs/dbraw/zinc/94/11/39/819941139.db2.gz HNKWBBKEBJJBMU-UWVGGRQHSA-N -1 3 269.747 3.417 20 0 CGADHM COc1cc(-c2cccc([O-])c2F)cc(OC)c1OC ZINC001243547693 823439605 /nfs/dbraw/zinc/43/96/05/823439605.db2.gz VJJOHKVVWFYDHN-UHFFFAOYSA-N -1 3 278.279 3.224 20 0 CGADHM COCc1ccc(F)c(-c2cccc([O-])c2F)c1 ZINC001243547387 823439875 /nfs/dbraw/zinc/43/98/75/823439875.db2.gz QUNXPZXXWHQAQM-UHFFFAOYSA-N -1 3 250.244 3.484 20 0 CGADHM O=C1CSc2cc(-c3cccc([O-])c3F)ccc2N1 ZINC001243547399 823439902 /nfs/dbraw/zinc/43/99/02/823439902.db2.gz RMKOJPOOKKTMMZ-UHFFFAOYSA-N -1 3 275.304 3.243 20 0 CGADHM Cc1nc2ccc(-c3cccc([O-])c3F)cc2c(=O)o1 ZINC001243547798 823439933 /nfs/dbraw/zinc/43/99/33/823439933.db2.gz WKYMHYJZUFHGGO-UHFFFAOYSA-N -1 3 271.247 3.008 20 0 CGADHM Oc1cc(C(F)(F)F)ccc1-c1ccc(=S)[n-]n1 ZINC001243610759 823467198 /nfs/dbraw/zinc/46/71/98/823467198.db2.gz RKWGFRNOXIBAMW-UHFFFAOYSA-N -1 3 272.251 3.157 20 0 CGADHM Cc1ccccc1-c1ccc(-c2nnn[n-]2)cc1C ZINC001239503847 820353823 /nfs/dbraw/zinc/35/38/23/820353823.db2.gz HGSYTOLVVHVYMQ-UHFFFAOYSA-N -1 3 250.305 3.151 20 0 CGADHM Cc1ccccc1-c1ccc(-c2nn[n-]n2)cc1C ZINC001239503847 820353832 /nfs/dbraw/zinc/35/38/32/820353832.db2.gz HGSYTOLVVHVYMQ-UHFFFAOYSA-N -1 3 250.305 3.151 20 0 CGADHM Cc1nc(OC(C)C)ccc1-c1ccccc1-c1nnn[n-]1 ZINC001243651197 823474911 /nfs/dbraw/zinc/47/49/11/823474911.db2.gz BWZSUTYRZWOJKY-UHFFFAOYSA-N -1 3 295.346 3.024 20 0 CGADHM Cc1nc(OC(C)C)ccc1-c1ccccc1-c1nn[n-]n1 ZINC001243651197 823474912 /nfs/dbraw/zinc/47/49/12/823474912.db2.gz BWZSUTYRZWOJKY-UHFFFAOYSA-N -1 3 295.346 3.024 20 0 CGADHM CCc1ccc(-c2ccc(Cc3nnn[n-]3)cc2)cc1 ZINC001239588495 820436888 /nfs/dbraw/zinc/43/68/88/820436888.db2.gz DXOKDYVXVPXYAI-UHFFFAOYSA-N -1 3 264.332 3.020 20 0 CGADHM CCc1ccc(-c2ccc(Cc3nn[n-]n3)cc2)cc1 ZINC001239588495 820436892 /nfs/dbraw/zinc/43/68/92/820436892.db2.gz DXOKDYVXVPXYAI-UHFFFAOYSA-N -1 3 264.332 3.020 20 0 CGADHM Cc1cc(F)ccc1-c1ccc(-c2nnn[n-]2)cc1C ZINC001239741281 820563853 /nfs/dbraw/zinc/56/38/53/820563853.db2.gz WNACAANPYYGAFQ-UHFFFAOYSA-N -1 3 268.295 3.290 20 0 CGADHM Cc1cc(F)ccc1-c1ccc(-c2nn[n-]n2)cc1C ZINC001239741281 820563858 /nfs/dbraw/zinc/56/38/58/820563858.db2.gz WNACAANPYYGAFQ-UHFFFAOYSA-N -1 3 268.295 3.290 20 0 CGADHM Cc1ccc(-c2cnc3ccccc3c2)cc1-c1nnn[n-]1 ZINC001239794406 820609539 /nfs/dbraw/zinc/60/95/39/820609539.db2.gz FKXJTHZYRVGIFT-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM Cc1ccc(-c2cnc3ccccc3c2)cc1-c1nn[n-]n1 ZINC001239794406 820609543 /nfs/dbraw/zinc/60/95/43/820609543.db2.gz FKXJTHZYRVGIFT-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM CN(C)C(=O)c1ccc(-c2ccc3c(c2)[N-]C(=S)C3)cc1 ZINC001239801125 820615444 /nfs/dbraw/zinc/61/54/44/820615444.db2.gz LQUMINKNIVARRW-UHFFFAOYSA-N -1 3 296.395 3.351 20 0 CGADHM Cc1ccc(-c2cc(F)cc(-c3nnn[n-]3)c2)cc1F ZINC001239825166 820641205 /nfs/dbraw/zinc/64/12/05/820641205.db2.gz ZLJVIDNUPDTIFH-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM Cc1ccc(-c2cc(F)cc(-c3nn[n-]n3)c2)cc1F ZINC001239825166 820641207 /nfs/dbraw/zinc/64/12/07/820641207.db2.gz ZLJVIDNUPDTIFH-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM Cc1cc(-c2nnn[n-]2)ccc1-c1cncc2ccccc21 ZINC001239947053 820728207 /nfs/dbraw/zinc/72/82/07/820728207.db2.gz CCYGGTWOCNKNNE-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM Cc1cc(-c2nn[n-]n2)ccc1-c1cncc2ccccc21 ZINC001239947053 820728212 /nfs/dbraw/zinc/72/82/12/820728212.db2.gz CCYGGTWOCNKNNE-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM Cc1ccc(-c2c3cc[nH]c3ccc2F)cc1-c1nnn[n-]1 ZINC001240226077 820903670 /nfs/dbraw/zinc/90/36/70/820903670.db2.gz NCVZNTYVHBBSQT-UHFFFAOYSA-N -1 3 293.305 3.463 20 0 CGADHM Cc1ccc(-c2c3cc[nH]c3ccc2F)cc1-c1nn[n-]n1 ZINC001240226077 820903677 /nfs/dbraw/zinc/90/36/77/820903677.db2.gz NCVZNTYVHBBSQT-UHFFFAOYSA-N -1 3 293.305 3.463 20 0 CGADHM Cc1cc(-c2nnn[n-]2)ccc1-c1ccc2ccn(C)c2c1 ZINC001240576861 821162810 /nfs/dbraw/zinc/16/28/10/821162810.db2.gz NSRYDNYTAPMIPB-UHFFFAOYSA-N -1 3 289.342 3.334 20 0 CGADHM Cc1cc(-c2nn[n-]n2)ccc1-c1ccc2ccn(C)c2c1 ZINC001240576861 821162812 /nfs/dbraw/zinc/16/28/12/821162812.db2.gz NSRYDNYTAPMIPB-UHFFFAOYSA-N -1 3 289.342 3.334 20 0 CGADHM Cc1cc(O)ccc1-c1cc(C(F)(F)F)[n-]c(=S)n1 ZINC001240641931 821210506 /nfs/dbraw/zinc/21/05/06/821210506.db2.gz GRDGDJZVCLUUBR-UHFFFAOYSA-N -1 3 286.278 3.465 20 0 CGADHM [O-]c1ccc(-c2cc(C(F)(F)F)[nH]c(=S)n2)cc1F ZINC001240782508 821322327 /nfs/dbraw/zinc/32/23/27/821322327.db2.gz FPBMKXBXFXQYRG-UHFFFAOYSA-N -1 3 290.241 3.296 20 0 CGADHM COC(=O)c1c(C)cccc1-c1ccc([O-])c(F)c1 ZINC001240786104 821327366 /nfs/dbraw/zinc/32/73/66/821327366.db2.gz LWNAPIXRAHYEKD-UHFFFAOYSA-N -1 3 260.264 3.293 20 0 CGADHM O=C1c2cccc(-c3ccc([O-])c(F)c3)c2CN1C1CC1 ZINC001240786881 821327468 /nfs/dbraw/zinc/32/74/68/821327468.db2.gz ZSDOTFPPQVKAJJ-UHFFFAOYSA-N -1 3 283.302 3.317 20 0 CGADHM COC(=O)c1c[nH]c2ccc(-c3ccc([O-])c(F)c3)cc21 ZINC001240786909 821327795 /nfs/dbraw/zinc/32/77/95/821327795.db2.gz BHOIXONHHOBKLU-UHFFFAOYSA-N -1 3 285.274 3.466 20 0 CGADHM CC1(C)C(=O)Nc2cccc(-c3ccc([O-])c(F)c3)c21 ZINC001240787450 821328868 /nfs/dbraw/zinc/32/88/68/821328868.db2.gz FHNFDECEQVCITK-UHFFFAOYSA-N -1 3 271.291 3.428 20 0 CGADHM CC1(C)Cc2cc(-c3ccc([O-])c(F)c3)ccc2C(=O)N1 ZINC001240788805 821330568 /nfs/dbraw/zinc/33/05/68/821330568.db2.gz LJVAEDQIQLEEMI-UHFFFAOYSA-N -1 3 285.318 3.263 20 0 CGADHM Cc1c[nH]c2ncc(-c3ccc(C)c(-c4nnn[n-]4)c3)cc12 ZINC001240969765 821455075 /nfs/dbraw/zinc/45/50/75/821455075.db2.gz XNLSWPSPVDWQHW-UHFFFAOYSA-N -1 3 290.330 3.027 20 0 CGADHM Cc1c[nH]c2ncc(-c3ccc(C)c(-c4nn[n-]n4)c3)cc12 ZINC001240969765 821455080 /nfs/dbraw/zinc/45/50/80/821455080.db2.gz XNLSWPSPVDWQHW-UHFFFAOYSA-N -1 3 290.330 3.027 20 0 CGADHM Nc1cc(-c2ccccc2[O-])nc(C(F)(F)F)c1 ZINC001241003817 821483054 /nfs/dbraw/zinc/48/30/54/821483054.db2.gz UWHXFRLRTYGRLC-UHFFFAOYSA-N -1 3 254.211 3.055 20 0 CGADHM CSc1nc2c(c(-c3ccccc3[O-])n1)CCC2 ZINC001241007499 821484321 /nfs/dbraw/zinc/48/43/21/821484321.db2.gz DTAYZLLFYMVKNA-UHFFFAOYSA-N -1 3 258.346 3.060 20 0 CGADHM [O-]c1ccccc1-c1ncnc2cc(F)cc(F)c21 ZINC001241008470 821485765 /nfs/dbraw/zinc/48/57/65/821485765.db2.gz QQJUZWHMGHTNKE-UHFFFAOYSA-N -1 3 258.227 3.281 20 0 CGADHM [O-]c1ccccc1-c1cnc(OCC2CCC2)cn1 ZINC001241020280 821495593 /nfs/dbraw/zinc/49/55/93/821495593.db2.gz XNWGHPZPZUEXDM-UHFFFAOYSA-N -1 3 256.305 3.028 20 0 CGADHM Cc1ccc(-c2ncnc3c2SCCC3)c([O-])c1 ZINC001241036517 821511540 /nfs/dbraw/zinc/51/15/40/821511540.db2.gz YUHJUHCKDRLSDI-UHFFFAOYSA-N -1 3 258.346 3.196 20 0 CGADHM Cc1ccc(-c2nccc3nc(C)cnc32)c([O-])c1 ZINC001241036003 821511575 /nfs/dbraw/zinc/51/15/75/821511575.db2.gz MUXJRWJONPKVDJ-UHFFFAOYSA-N -1 3 251.289 3.014 20 0 CGADHM COc1cc(C)c(-c2cc(F)cc(-c3nnn[n-]3)c2)cc1C ZINC001241138396 821593188 /nfs/dbraw/zinc/59/31/88/821593188.db2.gz MOTONPPOZOMAIQ-UHFFFAOYSA-N -1 3 298.321 3.298 20 0 CGADHM COc1cc(C)c(-c2cc(F)cc(-c3nn[n-]n3)c2)cc1C ZINC001241138396 821593193 /nfs/dbraw/zinc/59/31/93/821593193.db2.gz MOTONPPOZOMAIQ-UHFFFAOYSA-N -1 3 298.321 3.298 20 0 CGADHM OCc1ccc(F)c(-c2ccc3c(c2)[N-]C(=S)C3)c1 ZINC001241154853 821606628 /nfs/dbraw/zinc/60/66/28/821606628.db2.gz LCXTWYFDTPSTRD-UHFFFAOYSA-N -1 3 273.332 3.280 20 0 CGADHM Cc1ccc(C)c(-c2ccc(-c3nnn[n-]3)cc2)c1 ZINC001241191550 821628612 /nfs/dbraw/zinc/62/86/12/821628612.db2.gz LVGGWMBGVBIFGN-UHFFFAOYSA-N -1 3 250.305 3.151 20 0 CGADHM Cc1ccc(C)c(-c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001241191550 821628619 /nfs/dbraw/zinc/62/86/19/821628619.db2.gz LVGGWMBGVBIFGN-UHFFFAOYSA-N -1 3 250.305 3.151 20 0 CGADHM CCOc1ccc(-c2cc(-c3nnn[n-]3)ccc2F)cc1C ZINC001241198396 821632318 /nfs/dbraw/zinc/63/23/18/821632318.db2.gz LEMWEQCERFBOJY-UHFFFAOYSA-N -1 3 298.321 3.380 20 0 CGADHM CCOc1ccc(-c2cc(-c3nn[n-]n3)ccc2F)cc1C ZINC001241198396 821632322 /nfs/dbraw/zinc/63/23/22/821632322.db2.gz LEMWEQCERFBOJY-UHFFFAOYSA-N -1 3 298.321 3.380 20 0 CGADHM COc1c(C)nc(C2CC2)nc1-c1cc([O-])cc(F)c1 ZINC001241267383 821686831 /nfs/dbraw/zinc/68/68/31/821686831.db2.gz UMAIFAHWPHZOCD-UHFFFAOYSA-N -1 3 274.295 3.183 20 0 CGADHM Cc1nc2ccc(-c3cc([O-])cc(F)c3)cc2c(=O)o1 ZINC001241271061 821690336 /nfs/dbraw/zinc/69/03/36/821690336.db2.gz KDPARSIRNORIBW-UHFFFAOYSA-N -1 3 271.247 3.008 20 0 CGADHM CCOc1ccc(-c2ccc(Cc3nnn[n-]3)cc2)c(C)c1 ZINC001241273094 821690944 /nfs/dbraw/zinc/69/09/44/821690944.db2.gz UKOITUNZYFILCY-UHFFFAOYSA-N -1 3 294.358 3.165 20 0 CGADHM CCOc1ccc(-c2ccc(Cc3nn[n-]n3)cc2)c(C)c1 ZINC001241273094 821690949 /nfs/dbraw/zinc/69/09/49/821690949.db2.gz UKOITUNZYFILCY-UHFFFAOYSA-N -1 3 294.358 3.165 20 0 CGADHM CN(C)c1ncc2cc(-c3cc([O-])cc(F)c3)ccc2n1 ZINC001241272007 821691312 /nfs/dbraw/zinc/69/13/12/821691312.db2.gz LTRJAWVMRGLCON-UHFFFAOYSA-N -1 3 283.306 3.208 20 0 CGADHM Nc1ccc2cccc(-c3cc([O-])cc(F)c3)c2n1 ZINC001241277099 821695298 /nfs/dbraw/zinc/69/52/98/821695298.db2.gz GBSOHSGGUGNWKW-UHFFFAOYSA-N -1 3 254.264 3.329 20 0 CGADHM CC1(C)C(=O)Nc2cccc(-c3cc([O-])cc(F)c3)c21 ZINC001241276969 821695647 /nfs/dbraw/zinc/69/56/47/821695647.db2.gz FDMSLSRETXHOML-UHFFFAOYSA-N -1 3 271.291 3.428 20 0 CGADHM COc1ccc(-c2cc([O-])cc(F)c2)c(OC)c1F ZINC001241280651 821699892 /nfs/dbraw/zinc/69/98/92/821699892.db2.gz QKSKSRHTXXSPKU-UHFFFAOYSA-N -1 3 266.243 3.355 20 0 CGADHM Cc1cn2c(cccc2-c2c(F)ccc([O-])c2F)n1 ZINC001241291772 821709947 /nfs/dbraw/zinc/70/99/47/821709947.db2.gz WONWXKJICWJJHU-UHFFFAOYSA-N -1 3 260.243 3.294 20 0 CGADHM Cc1cn2cc(-c3c(F)ccc([O-])c3F)ccc2n1 ZINC001241293647 821710856 /nfs/dbraw/zinc/71/08/56/821710856.db2.gz YCRUSYBYNZKOAB-UHFFFAOYSA-N -1 3 260.243 3.294 20 0 CGADHM COCCOc1ccc(-c2c(F)ccc([O-])c2F)cc1 ZINC001241293380 821711229 /nfs/dbraw/zinc/71/12/29/821711229.db2.gz UVGLEFCVELKTTM-UHFFFAOYSA-N -1 3 280.270 3.363 20 0 CGADHM Cc1ncc(-c2c(F)ccc([O-])c2F)c(C(F)(F)F)n1 ZINC001241295269 821714144 /nfs/dbraw/zinc/71/41/44/821714144.db2.gz LQCLUETWSNQLBF-UHFFFAOYSA-N -1 3 290.191 3.455 20 0 CGADHM Cc1cc2ncccc2cc1-c1ccc(-c2nnn[n-]2)cc1 ZINC001241444457 821838651 /nfs/dbraw/zinc/83/86/51/821838651.db2.gz DASDXUFRZWDJCG-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM Cc1cc2ncccc2cc1-c1ccc(-c2nn[n-]n2)cc1 ZINC001241444457 821838658 /nfs/dbraw/zinc/83/86/58/821838658.db2.gz DASDXUFRZWDJCG-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM c1cc2cc(-c3ccc(-c4nnn[n-]4)cc3)cnc2s1 ZINC001241446715 821842388 /nfs/dbraw/zinc/84/23/88/821842388.db2.gz OCEOCSXBUCGSCM-UHFFFAOYSA-N -1 3 279.328 3.143 20 0 CGADHM c1cc2cc(-c3ccc(-c4nn[n-]n4)cc3)cnc2s1 ZINC001241446715 821842395 /nfs/dbraw/zinc/84/23/95/821842395.db2.gz OCEOCSXBUCGSCM-UHFFFAOYSA-N -1 3 279.328 3.143 20 0 CGADHM CCc1cccc(-c2cc(F)cc(-c3nnn[n-]3)c2)c1 ZINC001241548985 821939091 /nfs/dbraw/zinc/93/90/91/821939091.db2.gz COALLPOXJZNSQU-UHFFFAOYSA-N -1 3 268.295 3.235 20 0 CGADHM CCc1cccc(-c2cc(F)cc(-c3nn[n-]n3)c2)c1 ZINC001241548985 821939097 /nfs/dbraw/zinc/93/90/97/821939097.db2.gz COALLPOXJZNSQU-UHFFFAOYSA-N -1 3 268.295 3.235 20 0 CGADHM Fc1ccc(-c2ccc3ccncc3c2)cc1-c1nnn[n-]1 ZINC001241675362 822059086 /nfs/dbraw/zinc/05/90/86/822059086.db2.gz GDPXTNRVAYIUEE-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Fc1ccc(-c2ccc3ccncc3c2)cc1-c1nn[n-]n1 ZINC001241675362 822059094 /nfs/dbraw/zinc/05/90/94/822059094.db2.gz GDPXTNRVAYIUEE-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Cc1ncc(-c2ccc([O-])c(C(F)(F)F)c2)c(C)n1 ZINC001242162024 822900392 /nfs/dbraw/zinc/90/03/92/822900392.db2.gz JJNKECDPCWUEIO-UHFFFAOYSA-N -1 3 268.238 3.485 20 0 CGADHM O=C1NCCC/C1=C\c1cccc(-c2ccc(F)cc2[O-])c1 ZINC001242219117 822915657 /nfs/dbraw/zinc/91/56/57/822915657.db2.gz KJVNJFNRBLIBST-GXDHUFHOSA-N -1 3 297.329 3.492 20 0 CGADHM COC(=O)c1cc(-c2ccc(F)cc2[O-])cc2[nH]ccc21 ZINC001242220567 822916877 /nfs/dbraw/zinc/91/68/77/822916877.db2.gz FGQLCCQEHHTODX-UHFFFAOYSA-N -1 3 285.274 3.466 20 0 CGADHM CC(C)Oc1ccccc1-c1cc(-c2nnn[n-]2)ccc1F ZINC001242224093 822917877 /nfs/dbraw/zinc/91/78/77/822917877.db2.gz NSMDNEXKZCJEQW-UHFFFAOYSA-N -1 3 298.321 3.460 20 0 CGADHM CC(C)Oc1ccccc1-c1cc(-c2nn[n-]n2)ccc1F ZINC001242224093 822917879 /nfs/dbraw/zinc/91/78/79/822917879.db2.gz NSMDNEXKZCJEQW-UHFFFAOYSA-N -1 3 298.321 3.460 20 0 CGADHM CC(=O)Nc1ccc(C)c(-c2cccc(F)c2[O-])c1 ZINC001242351433 822961295 /nfs/dbraw/zinc/96/12/95/822961295.db2.gz VKZWQQCKFZLIKQ-UHFFFAOYSA-N -1 3 259.280 3.465 20 0 CGADHM COC(=O)C1(c2ccc(-c3cccc(F)c3[O-])cc2)CC1 ZINC001242352071 822961912 /nfs/dbraw/zinc/96/19/12/822961912.db2.gz KNBLXVXHNVAZDB-UHFFFAOYSA-N -1 3 286.302 3.403 20 0 CGADHM Fc1cc(-c2cccc3cc[nH]c32)ccc1-c1nnn[n-]1 ZINC001242363625 822967605 /nfs/dbraw/zinc/96/76/05/822967605.db2.gz RYHBQQCTKHNPTI-UHFFFAOYSA-N -1 3 279.278 3.154 20 0 CGADHM Fc1cc(-c2cccc3cc[nH]c32)ccc1-c1nn[n-]n1 ZINC001242363625 822967608 /nfs/dbraw/zinc/96/76/08/822967608.db2.gz RYHBQQCTKHNPTI-UHFFFAOYSA-N -1 3 279.278 3.154 20 0 CGADHM CC(C)(C)O[N-]C(=O)Cc1coc2c1ccc(F)c2F ZINC001335119223 936130302 /nfs/dbraw/zinc/13/03/02/936130302.db2.gz ZHUBQEWOVRIMSE-UHFFFAOYSA-N -1 3 283.274 3.100 20 0 CGADHM Cc1occc1CN(CCC(=O)[O-])Cc1ccccc1 ZINC000692447203 926829259 /nfs/dbraw/zinc/82/92/59/926829259.db2.gz ZUJRXNCOJIRSNG-UHFFFAOYSA-N -1 3 273.332 3.065 20 0 CGADHM CC(=O)c1ccsc1[N-]C(=O)c1scnc1Cl ZINC001436484575 937280702 /nfs/dbraw/zinc/28/07/02/937280702.db2.gz LDNSTHSHYKCSID-UHFFFAOYSA-N -1 3 286.765 3.313 20 0 CGADHM Nc1c(F)c(Cl)ccc1C(=O)Nc1cccc([O-])c1F ZINC001446237808 937362799 /nfs/dbraw/zinc/36/27/99/937362799.db2.gz FCBWUWSKXHABIJ-UHFFFAOYSA-N -1 3 298.676 3.158 20 0 CGADHM Cc1cccc(F)c1NC(=O)Cc1ccc([O-])c(F)c1 ZINC001446944200 937365861 /nfs/dbraw/zinc/36/58/61/937365861.db2.gz WCELZSLXEAEPCL-UHFFFAOYSA-N -1 3 277.270 3.160 20 0 CGADHM CN(C(=O)c1cc2sccc2c([O-])c1)[C@H]1CCSC1 ZINC001447169706 937366853 /nfs/dbraw/zinc/36/68/53/937366853.db2.gz OCGVVPBJKDKPDF-JTQLQIEISA-N -1 3 293.413 3.184 20 0 CGADHM Cc1ccc(C(=O)Nc2ncccc2[O-])cc1C(F)(F)F ZINC001447605825 937370001 /nfs/dbraw/zinc/37/00/01/937370001.db2.gz NVSXRMKWJCPIIG-UHFFFAOYSA-N -1 3 296.248 3.367 20 0 CGADHM Cc1nc(C)c(CC(=O)Nc2c([O-])cccc2Cl)s1 ZINC001450264011 937384857 /nfs/dbraw/zinc/38/48/57/937384857.db2.gz LWQOOEVTRMTPSC-UHFFFAOYSA-N -1 3 296.779 3.300 20 0 CGADHM O=C(Nc1[nH][n-]c2cc(=O)ccc1-2)c1sccc1Cl ZINC001450051646 937382308 /nfs/dbraw/zinc/38/23/08/937382308.db2.gz RLMGQSJNCIEDAJ-UHFFFAOYSA-N -1 3 293.735 3.236 20 0 CGADHM O=C(c1ccccc1[O-])N1CCc2cccc(Cl)c2C1 ZINC001451143452 937389209 /nfs/dbraw/zinc/38/92/09/937389209.db2.gz JWUUWCRVWGYGRA-UHFFFAOYSA-N -1 3 287.746 3.244 20 0 CGADHM O=C(N[C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21)c1ccccc1[O-] ZINC001454626570 937409836 /nfs/dbraw/zinc/40/98/36/937409836.db2.gz HYLRKGNMVKVAKB-UHOFOFEASA-N -1 3 299.757 3.114 20 0 CGADHM CCc1ccc(C(=O)N[C@@]23C[C@@H]2CCCC3)c([O-])c1 ZINC001454710022 937411347 /nfs/dbraw/zinc/41/13/47/937411347.db2.gz WPWCFBBPDLPOBM-LRDDRELGSA-N -1 3 259.349 3.017 20 0 CGADHM CCOc1ccc(N(C)C(=O)c2c(C)cccc2[O-])cc1 ZINC001455487560 937418870 /nfs/dbraw/zinc/41/88/70/937418870.db2.gz VRBMQAQACTWCKD-UHFFFAOYSA-N -1 3 285.343 3.376 20 0 CGADHM Cc1cccc2c(=O)c(C(=O)Nc3ccccc3F)c[n-]c12 ZINC001457503555 937443119 /nfs/dbraw/zinc/44/31/19/937443119.db2.gz MZFQMPHSOFVHGA-UHFFFAOYSA-N -1 3 296.301 3.228 20 0 CGADHM O=C([N-]c1cc(C(F)(F)F)no1)c1ccc(C(F)F)o1 ZINC001461242870 937571664 /nfs/dbraw/zinc/57/16/64/937571664.db2.gz GFFBAEYSCLASLO-UHFFFAOYSA-N -1 3 296.151 3.476 20 0 CGADHM CC[C@H](O)C(=O)Oc1cc([O-])cc(/C=C/c2ccccc2)c1 ZINC001229668780 932186621 /nfs/dbraw/zinc/18/66/21/932186621.db2.gz BFSZFONPSVJKKC-IJDCCNJMSA-N -1 3 298.338 3.239 20 0 CGADHM Cc1nc(O[C@@H](C)c2c(F)cccc2F)c(C)c(=O)[n-]1 ZINC001229683295 932188422 /nfs/dbraw/zinc/18/84/22/932188422.db2.gz DNHVJGRLQXGACV-QMMMGPOBSA-N -1 3 280.274 3.217 20 0 CGADHM Cc1nc(O[C@H](C)CCc2ccccc2)c(C)c(=O)[n-]1 ZINC001229685901 932188605 /nfs/dbraw/zinc/18/86/05/932188605.db2.gz PGTKMOITFJHOAK-LLVKDONJSA-N -1 3 272.348 3.199 20 0 CGADHM COc1ccc([C@H](C)Oc2nc(C)[n-]c(=O)c2C)c(F)c1 ZINC001229693033 932469963 /nfs/dbraw/zinc/46/99/63/932469963.db2.gz XMOCQUXXVOEUGW-VIFPVBQESA-N -1 3 292.310 3.087 20 0 CGADHM COc1cccc([C@@H](C)Oc2ccccc2-c2nnn[n-]2)c1 ZINC001229954483 932509083 /nfs/dbraw/zinc/50/90/83/932509083.db2.gz LITHYDRQCFAKGD-LLVKDONJSA-N -1 3 296.330 3.015 20 0 CGADHM COc1cccc([C@@H](C)Oc2ccccc2-c2nn[n-]n2)c1 ZINC001229954483 932509090 /nfs/dbraw/zinc/50/90/90/932509090.db2.gz LITHYDRQCFAKGD-LLVKDONJSA-N -1 3 296.330 3.015 20 0 CGADHM Cc1ccccc1[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC001229954606 932510337 /nfs/dbraw/zinc/51/03/37/932510337.db2.gz NJHRATBTFVIWLP-LBPRGKRZSA-N -1 3 280.331 3.315 20 0 CGADHM Cc1ccccc1[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC001229954606 932510344 /nfs/dbraw/zinc/51/03/44/932510344.db2.gz NJHRATBTFVIWLP-LBPRGKRZSA-N -1 3 280.331 3.315 20 0 CGADHM C[C@@H](Oc1nc(=O)[n-]c2c1SCC2)c1ccccc1F ZINC001230789708 932624646 /nfs/dbraw/zinc/62/46/46/932624646.db2.gz CRGGLEWTQIZVEZ-MRVPVSSYSA-N -1 3 292.335 3.110 20 0 CGADHM CC[C@@H]1CCCC[C@@H]1Oc1ccc(-c2nn[n-]n2)cc1 ZINC001231072172 932671520 /nfs/dbraw/zinc/67/15/20/932671520.db2.gz ACBUSUUVTFWMJJ-RISCZKNCSA-N -1 3 272.352 3.214 20 0 CGADHM C[C@@H]1CCC[C@H](Oc2ccc(-c3nn[n-]n3)cc2)[C@@H]1C ZINC001231076813 932672553 /nfs/dbraw/zinc/67/25/53/932672553.db2.gz MYQSWTDEDYRHAG-GYSYKLTISA-N -1 3 272.352 3.070 20 0 CGADHM Cc1cccc2c1CC[C@H]2Oc1ccc(-c2nn[n-]n2)cc1 ZINC001231074865 932672645 /nfs/dbraw/zinc/67/26/45/932672645.db2.gz ZJCKRRWEWDKXMT-MRXNPFEDSA-N -1 3 292.342 3.241 20 0 CGADHM CCCc1nc(C(=O)[N-]c2noc(C(C)(C)C)c2C)co1 ZINC001462270611 937628363 /nfs/dbraw/zinc/62/83/63/937628363.db2.gz ZSIIYUQYEGSSIZ-UHFFFAOYSA-N -1 3 291.351 3.473 20 0 CGADHM CSc1ccc([O-])c(C(=O)N[C@H]2CC[C@H](C)C2)c1 ZINC001303675650 932832248 /nfs/dbraw/zinc/83/22/48/932832248.db2.gz FBTMDIZDBISVKN-UWVGGRQHSA-N -1 3 265.378 3.033 20 0 CGADHM Cc1cccc2c(=O)c(C(=O)Nc3ccc(F)cc3)c[n-]c12 ZINC001306225504 932878189 /nfs/dbraw/zinc/87/81/89/932878189.db2.gz MQHKXXUZVOMPFU-UHFFFAOYSA-N -1 3 296.301 3.228 20 0 CGADHM CNc1ccc(C(=O)Nc2ccc(Cl)cc2[O-])cc1F ZINC001466631089 937711168 /nfs/dbraw/zinc/71/11/68/937711168.db2.gz GZKIHUCJXFTYBL-UHFFFAOYSA-N -1 3 294.713 3.479 20 0 CGADHM CCC(C)(C)c1ccc(NC(=O)c2cc(=O)[n-]cn2)cc1 ZINC001467772330 937722286 /nfs/dbraw/zinc/72/22/86/937722286.db2.gz XCWFWEFJSQGVIG-UHFFFAOYSA-N -1 3 285.347 3.122 20 0 CGADHM CC[C@](C)(NC(=O)c1cc(SC)ccc1[O-])C1CC1 ZINC001470223632 937749709 /nfs/dbraw/zinc/74/97/09/937749709.db2.gz XIDDMLRBTFLNIN-HNNXBMFYSA-N -1 3 279.405 3.423 20 0 CGADHM COc1ccc(C(=O)NC[C@H]2CCC=CCCC2)c([O-])c1 ZINC001472303487 937775033 /nfs/dbraw/zinc/77/50/33/937775033.db2.gz HXGQFMSZCJKBSJ-ZDUSSCGKSA-N -1 3 289.375 3.267 20 0 CGADHM C[C@H]1CCCC[C@H]1CCNC(=O)c1c([O-])cccc1O ZINC001472509047 937777228 /nfs/dbraw/zinc/77/72/28/937777228.db2.gz MSAYGHSQZYLBHG-RYUDHWBXSA-N -1 3 277.364 3.044 20 0 CGADHM CC(C)[C@H]1CC[C@@H](C)C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC001325210008 934894744 /nfs/dbraw/zinc/89/47/44/934894744.db2.gz KQOQBSKJBCBOIE-GMTAPVOTSA-N -1 3 265.319 3.373 20 0 CGADHM CC(C)(C)c1csc(CNCC(C)(C)CC(=O)[O-])n1 ZINC001329244180 935198651 /nfs/dbraw/zinc/19/86/51/935198651.db2.gz YVPBNIMGPSQUQO-UHFFFAOYSA-N -1 3 284.425 3.031 20 0 CGADHM O=C(CC(C1CC1)C1CC1)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC001329309205 935204265 /nfs/dbraw/zinc/20/42/65/935204265.db2.gz PQAYUIGUTWSCPO-UHFFFAOYSA-N -1 3 285.347 3.033 20 0 CGADHM Cc1c2occ([O-])c2ccc1OCc1ncoc1C(C)C ZINC001329688868 935239304 /nfs/dbraw/zinc/23/93/04/935239304.db2.gz LSLGTZXRFGKTQT-UHFFFAOYSA-N -1 3 287.315 3.261 20 0 CGADHM CCCC[C@@](C)(F)C(=O)OCc1cc(=O)[n-]c(C2CC2)n1 ZINC001330231350 935278744 /nfs/dbraw/zinc/27/87/44/935278744.db2.gz QUYWIVLDBYIRDX-OAHLLOKOSA-N -1 3 296.342 3.021 20 0 CGADHM CC1(C)C[C@H](C(=O)Nc2ccc(Cl)cc2[O-])CCO1 ZINC001335839579 936163445 /nfs/dbraw/zinc/16/34/45/936163445.db2.gz UVGNBTGAISVQKU-SECBINFHSA-N -1 3 283.755 3.189 20 0 CGADHM CSc1cc(C)ccc1[N-]C(=O)c1cc(C)no1 ZINC001525645179 938050728 /nfs/dbraw/zinc/05/07/28/938050728.db2.gz YAKHGQYWTLUZPL-UHFFFAOYSA-N -1 3 262.334 3.266 20 0 CGADHM O=C([N-]c1ccnc(Cl)c1F)c1c(F)cccc1F ZINC001535524997 938101681 /nfs/dbraw/zinc/10/16/81/938101681.db2.gz PTNVEGWBRLKRKC-UHFFFAOYSA-N -1 3 286.640 3.405 20 0 CGADHM C[C@@H]([N-]C(=O)C(F)(F)C(F)F)c1ccc2c(c1)CCC2 ZINC001537521734 938110909 /nfs/dbraw/zinc/11/09/09/938110909.db2.gz SPZGZBFAGFXJRS-MRVPVSSYSA-N -1 3 289.272 3.253 20 0 CGADHM CC[C@@H]1CCC[C@]1(C)C(=O)[N-]OCc1ccccc1 ZINC001540601387 938132320 /nfs/dbraw/zinc/13/23/20/938132320.db2.gz WDRNOWSTEFXDJX-ZBFHGGJFSA-N -1 3 261.365 3.451 20 0 CGADHM O=C(Cc1cccc([O-])c1F)N1CC[C@H](C2CCCC2)C1 ZINC001548927404 938154107 /nfs/dbraw/zinc/15/41/07/938154107.db2.gz ZTPLYCQUKBDBGA-AWEZNQCLSA-N -1 3 291.366 3.113 20 0 CGADHM Cc1nc[n-]c(=O)c1C(=O)Nc1ccc2c(c1)CCCCC2 ZINC001550391351 938166461 /nfs/dbraw/zinc/16/64/61/938166461.db2.gz NRGDFJUHQZTYMY-UHFFFAOYSA-N -1 3 297.358 3.012 20 0 CGADHM O=C(Cc1cccc([O-])c1F)NC[C@H]1CCCC2(CC2)C1 ZINC001551833908 938187404 /nfs/dbraw/zinc/18/74/04/938187404.db2.gz CZSWLDSEWMWTBC-LBPRGKRZSA-N -1 3 291.366 3.160 20 0 CGADHM O=C([N-]OCCF)C1(Cc2cccs2)CCCCC1 ZINC001552351717 938191180 /nfs/dbraw/zinc/19/11/80/938191180.db2.gz MKAIYXRWIVZMJX-UHFFFAOYSA-N -1 3 285.384 3.258 20 0 CGADHM CC(C)(C)O[N-]C(=O)C[C@H]1C[C@@H]1Cc1ccccc1 ZINC001553236014 938197546 /nfs/dbraw/zinc/19/75/46/938197546.db2.gz PXAFURIMCLWAKK-UONOGXRCSA-N -1 3 261.365 3.102 20 0 CGADHM CC1(C)C[C@@]1(C(=O)Nc1ncccc1[O-])c1ccccc1 ZINC001556164326 938202153 /nfs/dbraw/zinc/20/21/53/938202153.db2.gz ZZCYLOQJIVYEMP-KRWDZBQOSA-N -1 3 282.343 3.094 20 0 CGADHM C[Si](C)(C)CCCC(=O)[N-]OC1CCCCC1 ZINC001556300091 938203016 /nfs/dbraw/zinc/20/30/16/938203016.db2.gz HGRDPPSEWZFXFG-UHFFFAOYSA-N -1 3 257.450 3.485 20 0 CGADHM CCc1ccc(C(=O)N[C@@H]2C[C@]2(C)C(C)C)c([O-])c1 ZINC001556942917 938206642 /nfs/dbraw/zinc/20/66/42/938206642.db2.gz LAXNGTPRNKWDGG-GDBMZVCRSA-N -1 3 261.365 3.119 20 0 CGADHM CO[C@H](CNC(=O)c1ccc(C)cc1[O-])C1CCCCC1 ZINC001557665109 938211306 /nfs/dbraw/zinc/21/13/06/938211306.db2.gz GHGDPCZUBXRUFT-MRXNPFEDSA-N -1 3 291.391 3.026 20 0 CGADHM O=C(C[C@H]1CCc2ccccc21)[N-]Oc1ccccc1F ZINC001558225393 938214093 /nfs/dbraw/zinc/21/40/93/938214093.db2.gz GQASPOPUAVEHDO-CYBMUJFWSA-N -1 3 285.318 3.356 20 0 CGADHM Cc1cccc(C)c1CN(C)C(=O)c1ccccc1[O-] ZINC001558597630 938216732 /nfs/dbraw/zinc/21/67/32/938216732.db2.gz DQRAOZRRWOKNOQ-UHFFFAOYSA-N -1 3 269.344 3.281 20 0 CGADHM C[C@H]1CCN(Cc2cccc(C(=O)[O-])c2Cl)CCS1 ZINC000379493333 971640815 /nfs/dbraw/zinc/64/08/15/971640815.db2.gz KYAWXQCJUMEYJZ-JTQLQIEISA-N -1 3 299.823 3.366 20 0 CGADHM Cc1sccc1CNCc1ccccc1C(=O)[O-] ZINC001594513620 955409382 /nfs/dbraw/zinc/40/93/82/955409382.db2.gz ZGJNIOIBKVTLQO-UHFFFAOYSA-N -1 3 261.346 3.045 20 0 CGADHM C[C@H](NCc1c(Cl)ccc(Cl)c1Cl)C(=O)[O-] ZINC000049357476 957477269 /nfs/dbraw/zinc/47/72/69/957477269.db2.gz ZEBJPKWCQIILPS-YFKPBYRVSA-N -1 3 282.554 3.210 20 0 CGADHM COc1cccc([O-])c1C(=O)N(C)Cc1c(C)cccc1C ZINC001179359753 957884852 /nfs/dbraw/zinc/88/48/52/957884852.db2.gz AIOXDMACJGAVII-UHFFFAOYSA-N -1 3 299.370 3.290 20 0 CGADHM O=C([O-])[C@H]1CCCCCN1Cc1cccc(Cl)c1F ZINC000167045396 959332330 /nfs/dbraw/zinc/33/23/30/959332330.db2.gz QYVZQALXLLRYBI-GFCCVEGCSA-N -1 3 285.746 3.308 20 0 CGADHM CCN(CCC(=O)[O-])Cc1c(Cl)oc2ccccc21 ZINC001596314719 960539192 /nfs/dbraw/zinc/53/91/92/960539192.db2.gz FQNULNXJDOVIIU-UHFFFAOYSA-N -1 3 281.739 3.383 20 0 CGADHM C[C@@H](c1cccc(Cl)c1F)N1CC[C@@](C)(C(=O)[O-])C1 ZINC001603287283 972529832 /nfs/dbraw/zinc/52/98/32/972529832.db2.gz UZNCCABJCFLGIQ-LKFCYVNXSA-N -1 3 285.746 3.337 20 0 CGADHM COc1cccc([O-])c1C(=O)NCC1(C)CCCCCC1 ZINC001566908885 961045786 /nfs/dbraw/zinc/04/57/86/961045786.db2.gz RZSXOKGQNVKPKF-UHFFFAOYSA-N -1 3 291.391 3.491 20 0 CGADHM CSc1ccc([O-])c(C(=O)N[C@H]2C[C@@]2(C)C(C)C)c1 ZINC001570158851 961914156 /nfs/dbraw/zinc/91/41/56/961914156.db2.gz LKWQGXMIQIMRQF-ZFWWWQNUSA-N -1 3 279.405 3.279 20 0 CGADHM CC(C)C(CNc1cc(F)cc(-c2nnn[n-]2)c1)C(C)C ZINC001574060391 962296567 /nfs/dbraw/zinc/29/65/67/962296567.db2.gz BBFZTKAZGHFOJA-UHFFFAOYSA-N -1 3 291.374 3.346 20 0 CGADHM CC(C)C(CNc1cc(F)cc(-c2nn[n-]n2)c1)C(C)C ZINC001574060391 962296585 /nfs/dbraw/zinc/29/65/85/962296585.db2.gz BBFZTKAZGHFOJA-UHFFFAOYSA-N -1 3 291.374 3.346 20 0 CGADHM CCCC[C@H](CCC)Nc1nccc(C)c1-c1nnn[n-]1 ZINC001577458979 962549477 /nfs/dbraw/zinc/54/94/77/962549477.db2.gz UUURFUGXZZMHJV-LBPRGKRZSA-N -1 3 288.399 3.341 20 0 CGADHM CCCC[C@H](CCC)Nc1nccc(C)c1-c1nn[n-]n1 ZINC001577458979 962549486 /nfs/dbraw/zinc/54/94/86/962549486.db2.gz UUURFUGXZZMHJV-LBPRGKRZSA-N -1 3 288.399 3.341 20 0 CGADHM Cc1ccnc(NCC(C)(C)C(C)(C)C)c1-c1nnn[n-]1 ZINC001581282164 962752409 /nfs/dbraw/zinc/75/24/09/962752409.db2.gz ZCUSTOWCWWEQEE-UHFFFAOYSA-N -1 3 288.399 3.054 20 0 CGADHM Cc1ccnc(NCC(C)(C)C(C)(C)C)c1-c1nn[n-]n1 ZINC001581282164 962752415 /nfs/dbraw/zinc/75/24/15/962752415.db2.gz ZCUSTOWCWWEQEE-UHFFFAOYSA-N -1 3 288.399 3.054 20 0 CGADHM Fc1cccc(N[C@@H]2CCCC3(CC3)C2)c1-c1nnn[n-]1 ZINC001581855427 962756326 /nfs/dbraw/zinc/75/63/26/962756326.db2.gz ZYQNEFQJCHBDOY-SNVBAGLBSA-N -1 3 287.342 3.141 20 0 CGADHM Fc1cccc(N[C@@H]2CCCC3(CC3)C2)c1-c1nn[n-]n1 ZINC001581855427 962756337 /nfs/dbraw/zinc/75/63/37/962756337.db2.gz ZYQNEFQJCHBDOY-SNVBAGLBSA-N -1 3 287.342 3.141 20 0 CGADHM CCc1ccc(C(=O)Nc2ccc3c(c2)CCO3)c([O-])c1 ZINC001583937524 962866431 /nfs/dbraw/zinc/86/64/31/962866431.db2.gz IBTRXKFUHDERSU-UHFFFAOYSA-N -1 3 283.327 3.142 20 0 CGADHM Cc1cc([C@H](C)OC(=O)c2cccc(Cl)c2[O-])no1 ZINC001585681753 963036014 /nfs/dbraw/zinc/03/60/14/963036014.db2.gz MLYZEVHSWPUXAK-QMMMGPOBSA-N -1 3 281.695 3.260 20 0 CGADHM Cc1cccc([O-])c1C(=O)N[C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC001586082023 963071478 /nfs/dbraw/zinc/07/14/78/963071478.db2.gz SVKFUORCYWVUBI-HZSPNIEDSA-N -1 3 273.376 3.399 20 0 CGADHM CC(=O)c1ccc(C(=O)N2CCc3c2cccc3C)cc1[O-] ZINC001587843886 963223838 /nfs/dbraw/zinc/22/38/38/963223838.db2.gz DOELGQGOQYDWHR-UHFFFAOYSA-N -1 3 295.338 3.106 20 0 CGADHM C/C(=C\CN[C@@H](C)c1cc2ccccc2o1)C(=O)[O-] ZINC001588982660 963338515 /nfs/dbraw/zinc/33/85/15/963338515.db2.gz WPPUMNJYSIADIB-HUYFXPKMSA-N -1 3 259.305 3.114 20 0 CGADHM CC(C)n1cc([C@@H](C)NCc2ccccc2C(=O)[O-])cn1 ZINC001589131351 963347299 /nfs/dbraw/zinc/34/72/99/963347299.db2.gz KBHHHNTZBIOSKL-GFCCVEGCSA-N -1 3 287.363 3.013 20 0 CGADHM CC(C)(C)CSCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001589130828 963352557 /nfs/dbraw/zinc/35/25/57/963352557.db2.gz MWASNFSGQJFYST-UHFFFAOYSA-N -1 3 280.372 3.285 20 0 CGADHM CC(C)(C)CSCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001589130828 963352571 /nfs/dbraw/zinc/35/25/71/963352571.db2.gz MWASNFSGQJFYST-UHFFFAOYSA-N -1 3 280.372 3.285 20 0 CGADHM CC(C)C(C)(C)CN[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC000315392580 963894016 /nfs/dbraw/zinc/89/40/16/963894016.db2.gz UCWJXKLLYKIQED-VIFPVBQESA-N -1 3 270.398 3.174 20 0 CGADHM CC(C)=CCSc1ccc(C)cc1-c1nnn[n-]1 ZINC001589380168 963984941 /nfs/dbraw/zinc/98/49/41/963984941.db2.gz ODKFYRAYNKLQPW-UHFFFAOYSA-N -1 3 260.366 3.233 20 0 CGADHM CC(C)=CCSc1ccc(C)cc1-c1nn[n-]n1 ZINC001589380168 963984947 /nfs/dbraw/zinc/98/49/47/963984947.db2.gz ODKFYRAYNKLQPW-UHFFFAOYSA-N -1 3 260.366 3.233 20 0 CGADHM CC(C)[C@@H](C)SCc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001589437039 963990365 /nfs/dbraw/zinc/99/03/65/963990365.db2.gz QNEDAEGMQHBVTC-SECBINFHSA-N -1 3 280.372 3.284 20 0 CGADHM CC(C)[C@@H](C)SCc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001589437039 963990373 /nfs/dbraw/zinc/99/03/73/963990373.db2.gz QNEDAEGMQHBVTC-SECBINFHSA-N -1 3 280.372 3.284 20 0 CGADHM CCOc1ccc(Cl)cc1CN1CCC[C@H]1CC(=O)[O-] ZINC001597106870 986751592 /nfs/dbraw/zinc/75/15/92/986751592.db2.gz WPBLYRPMLOTXQH-ZDUSSCGKSA-N -1 3 297.782 3.178 20 0 CGADHM CCc1[nH]c(CN[C@@H](C)c2ccc(C)cc2)cc1C(=O)[O-] ZINC001597391719 987622557 /nfs/dbraw/zinc/62/25/57/987622557.db2.gz MPNLBESWZWPRRK-LBPRGKRZSA-N -1 3 286.375 3.435 20 0 CGADHM CSCC(C)(C)NCc1cccc(C(=O)[O-])c1Cl ZINC001599791291 988013801 /nfs/dbraw/zinc/01/38/01/988013801.db2.gz YWTZSCFEIMRTTO-UHFFFAOYSA-N -1 3 287.812 3.269 20 0 CGADHM CC(C)(C)N(Cc1oncc1C(=O)[O-])Cc1ccccc1 ZINC001589795301 988190282 /nfs/dbraw/zinc/19/02/82/988190282.db2.gz DXHPEPBFVWPXEW-UHFFFAOYSA-N -1 3 288.347 3.174 20 0 CGADHM CCc1cccc(CN[C@@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC001597586744 988404500 /nfs/dbraw/zinc/40/45/00/988404500.db2.gz JEAYFKKUEVZLKU-MRXNPFEDSA-N -1 3 287.334 3.304 20 0 CGADHM C[C@@H](NCc1cc(N)cc(F)c1)c1cc(C(=O)[O-])cs1 ZINC001593292057 994673290 /nfs/dbraw/zinc/67/32/90/994673290.db2.gz GXSDJRXWAPRISW-MRVPVSSYSA-N -1 3 294.351 3.018 20 0 CGADHM CC(C)(C)c1ccc(NC(=O)C[C@H]2CCOC2)c([O-])c1 ZINC000337409330 214064399 /nfs/dbraw/zinc/06/43/99/214064399.db2.gz KTCKQCAQHLSFIG-LLVKDONJSA-N -1 3 277.364 3.055 20 0 CGADHM CN(C(=O)c1cc([O-])cc(C(F)(F)F)c1)C1CCCC1 ZINC000621311367 349493990 /nfs/dbraw/zinc/49/39/90/349493990.db2.gz ICVZVICBFUEDQO-UHFFFAOYSA-N -1 3 287.281 3.426 20 0 CGADHM [O-]c1cccc(CN2CCC(CF)CC2)c1Cl ZINC000294957391 199269576 /nfs/dbraw/zinc/26/95/76/199269576.db2.gz DMYXPOWAHHYTPW-UHFFFAOYSA-N -1 3 257.736 3.227 20 0 CGADHM CCCC[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccccc1F ZINC000590072629 346825212 /nfs/dbraw/zinc/82/52/12/346825212.db2.gz VOOSSUIDKDTWGW-TZMCWYRMSA-N -1 3 299.411 3.463 20 0 CGADHM CCO[N-]C(=O)Nc1cc(C(F)F)ccc1Cl ZINC000273865393 192341131 /nfs/dbraw/zinc/34/11/31/192341131.db2.gz OVCVMTOXXFHWBU-UHFFFAOYSA-N -1 3 264.659 3.351 20 0 CGADHM [O-]c1cccc(CN2CC(CC3CC3)C2)c1Cl ZINC000621740250 349577045 /nfs/dbraw/zinc/57/70/45/349577045.db2.gz GIHDPWXJXVUHFF-UHFFFAOYSA-N -1 3 251.757 3.278 20 0 CGADHM C[C@H]1CC[C@H](C)N(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000235622695 290628151 /nfs/dbraw/zinc/62/81/51/290628151.db2.gz ZZKUCHINYRYQFV-UWVGGRQHSA-N -1 3 267.756 3.306 20 0 CGADHM CC[C@]1(C)CCCN(C(=O)Cc2ccc([O-])c(F)c2)C1 ZINC000449996173 529393470 /nfs/dbraw/zinc/39/34/70/529393470.db2.gz ZJCBTRLLFZCIDP-MRXNPFEDSA-N -1 3 279.355 3.113 20 0 CGADHM CC[C@@H](C)N(CC)C(=O)c1c[n-]c2c(C)cccc2c1=O ZINC000622133797 349633926 /nfs/dbraw/zinc/63/39/26/349633926.db2.gz JZILIRDSSNVSER-GFCCVEGCSA-N -1 3 286.375 3.097 20 0 CGADHM CCC(CC)NC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000622275381 349667066 /nfs/dbraw/zinc/66/70/66/349667066.db2.gz AHSKRXVDAJZNKL-UHFFFAOYSA-N -1 3 261.365 3.189 20 0 CGADHM Cc1ncccc1NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622405508 349676760 /nfs/dbraw/zinc/67/67/60/349676760.db2.gz XDFQHYHHUOTNLM-UHFFFAOYSA-N -1 3 296.248 3.367 20 0 CGADHM C[C@@H](CC1CCCCC1)NC(=O)c1ccccc1[O-] ZINC000622561421 349686151 /nfs/dbraw/zinc/68/61/51/349686151.db2.gz BCGSKFAYIBULTR-LBPRGKRZSA-N -1 3 261.365 3.481 20 0 CGADHM COC1(CNC(=O)c2cccc(C)c2[O-])CCC(C)CC1 ZINC000622571107 349686686 /nfs/dbraw/zinc/68/66/86/349686686.db2.gz FRVRCWYAKRWGDL-UHFFFAOYSA-N -1 3 291.391 3.026 20 0 CGADHM CCc1cccc(C(=O)N[C@@H]2CC(C)(C)OC2(C)C)c1[O-] ZINC000622492337 349682681 /nfs/dbraw/zinc/68/26/81/349682681.db2.gz SVWFBIWPDMJWQM-CYBMUJFWSA-N -1 3 291.391 3.031 20 0 CGADHM CCc1cc(C(=O)N2CC3(CCC3)[C@@H]2C2CC2)ccc1[O-] ZINC000366375467 529511421 /nfs/dbraw/zinc/51/14/21/529511421.db2.gz YWKUZHCVDMKUQB-INIZCTEOSA-N -1 3 285.387 3.359 20 0 CGADHM CCc1cc(C(=O)N2C[C@@H](C)C[C@H]2CC)ccc1[O-] ZINC000436700548 529514810 /nfs/dbraw/zinc/51/48/10/529514810.db2.gz WBTRPBNGFWSJKV-SMDDNHRTSA-N -1 3 261.365 3.215 20 0 CGADHM CCc1cc(C(=O)N2C[C@H](C)C[C@H]2CC)ccc1[O-] ZINC000436700545 529515362 /nfs/dbraw/zinc/51/53/62/529515362.db2.gz WBTRPBNGFWSJKV-BXUZGUMPSA-N -1 3 261.365 3.215 20 0 CGADHM CC[C@@H](Cc1ccccc1)NC(=O)c1cc(C)ccc1[O-] ZINC000436528318 529545081 /nfs/dbraw/zinc/54/50/81/529545081.db2.gz HBKUZCKFRBETOX-HNNXBMFYSA-N -1 3 283.371 3.452 20 0 CGADHM CCc1ccc(C(=O)Nc2cnn([C@H](C)C3CC3)c2)c([O-])c1 ZINC000436837530 529611311 /nfs/dbraw/zinc/61/13/11/529611311.db2.gz JZXOQTOEEYTLNM-LLVKDONJSA-N -1 3 299.374 3.374 20 0 CGADHM CCc1ccc(C(=O)N2CCC[C@@H](C3CC3)C2)c([O-])c1 ZINC000436920556 529596014 /nfs/dbraw/zinc/59/60/14/529596014.db2.gz HAWAOEZOVUPFSB-CQSZACIVSA-N -1 3 273.376 3.217 20 0 CGADHM CCc1ccc(C(=O)N2CCC[C@H]2C(C)C)c([O-])c1 ZINC000436825753 529597258 /nfs/dbraw/zinc/59/72/58/529597258.db2.gz IDKALKORBKIBTK-AWEZNQCLSA-N -1 3 261.365 3.215 20 0 CGADHM CCc1ccc(C(=O)N2CC[C@@H](CC3CC3)C2)c([O-])c1 ZINC000436718613 529600082 /nfs/dbraw/zinc/60/00/82/529600082.db2.gz XKJJSXWTLOPIHO-AWEZNQCLSA-N -1 3 273.376 3.217 20 0 CGADHM CCc1ccc(C(=O)N2CCc3cc(C)ccc3C2)c([O-])c1 ZINC000436993448 529600838 /nfs/dbraw/zinc/60/08/38/529600838.db2.gz CEWLIFWZRGGEAI-UHFFFAOYSA-N -1 3 295.382 3.462 20 0 CGADHM CCc1ccnc(-c2noc(-c3cccc(C)c3[O-])n2)c1 ZINC000436596934 529624737 /nfs/dbraw/zinc/62/47/37/529624737.db2.gz OILWMEPIVQFWAM-UHFFFAOYSA-N -1 3 281.315 3.375 20 0 CGADHM CCc1ccnc(CNC(=O)c2ccc(C(C)C)cc2[O-])c1 ZINC000437701426 529633691 /nfs/dbraw/zinc/63/36/91/529633691.db2.gz WLEGULJKVMBGFX-UHFFFAOYSA-N -1 3 298.386 3.403 20 0 CGADHM CCc1cnccc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000436733806 529671728 /nfs/dbraw/zinc/67/17/28/529671728.db2.gz XMNJPMOQDATNNJ-UHFFFAOYSA-N -1 3 276.723 3.255 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CCC(CC)CC2)c1 ZINC000436554434 529690254 /nfs/dbraw/zinc/69/02/54/529690254.db2.gz HTLMIGONRFUMNR-UHFFFAOYSA-N -1 3 261.365 3.217 20 0 CGADHM CN(Cc1cc(Cl)ccc1F)C(=O)c1ccccc1[O-] ZINC000436857971 529977984 /nfs/dbraw/zinc/97/79/84/529977984.db2.gz CGNHCBHJJVHHHN-UHFFFAOYSA-N -1 3 293.725 3.457 20 0 CGADHM CN(Cc1ccccc1)Cc1c(F)ccc([O-])c1F ZINC000438848121 529999848 /nfs/dbraw/zinc/99/98/48/529999848.db2.gz ORXGSCKCKIMPGZ-UHFFFAOYSA-N -1 3 263.287 3.302 20 0 CGADHM Cc1cccc([O-])c1C(=O)N(C)[C@@H]1CCC[C@@H](C)C1 ZINC000623922687 349916628 /nfs/dbraw/zinc/91/66/28/349916628.db2.gz GTSXLIJNMBNTHT-DGCLKSJQSA-N -1 3 261.365 3.351 20 0 CGADHM CCC(CC)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000007375903 344867642 /nfs/dbraw/zinc/86/76/42/344867642.db2.gz WRJQSKBGCLJEGQ-UHFFFAOYSA-N -1 3 296.219 3.460 20 0 CGADHM O=C(CCc1ccc(Cl)s1)Nc1ncccc1[O-] ZINC000044948737 345017884 /nfs/dbraw/zinc/01/78/84/345017884.db2.gz MURVVPFDYXYYEZ-UHFFFAOYSA-N -1 3 282.752 3.073 20 0 CGADHM COc1ccccc1CN(C)C(=O)c1ccc(C)c(C)c1[O-] ZINC000048384060 345065542 /nfs/dbraw/zinc/06/55/42/345065542.db2.gz TZODSMMRGKBKNL-UHFFFAOYSA-N -1 3 299.370 3.290 20 0 CGADHM CCO[N-]C(=O)CCCC(=O)c1c(C)cc(C)cc1C ZINC000059335918 345207491 /nfs/dbraw/zinc/20/74/91/345207491.db2.gz HCZZRIULDYTGLI-UHFFFAOYSA-N -1 3 277.364 3.033 20 0 CGADHM CCCOCc1nc(=O)c2cc(C(C)(C)C)sc2[n-]1 ZINC000069981776 345387601 /nfs/dbraw/zinc/38/76/01/345387601.db2.gz RSNBNURKTUPIIY-UHFFFAOYSA-N -1 3 280.393 3.209 20 0 CGADHM Cc1cccc(CCC(=O)Nc2ccc([O-])cc2F)c1 ZINC000070333253 345390293 /nfs/dbraw/zinc/39/02/93/345390293.db2.gz IRFANFLLRSXMSU-UHFFFAOYSA-N -1 3 273.307 3.411 20 0 CGADHM CCSc1ccc(C(=O)Nc2ccc(C)cc2[O-])cn1 ZINC000069369679 345379652 /nfs/dbraw/zinc/37/96/52/345379652.db2.gz BHQSPLKWUUJNRN-UHFFFAOYSA-N -1 3 288.372 3.460 20 0 CGADHM CSCCCC(=O)Nc1cc(Cl)ccc1[O-] ZINC000071530241 345403132 /nfs/dbraw/zinc/40/31/32/345403132.db2.gz KBOFKSSWDBLFLW-UHFFFAOYSA-N -1 3 259.758 3.127 20 0 CGADHM O=C(Nc1ccccc1[O-])C1(c2ccccc2F)CC1 ZINC000076989509 345556457 /nfs/dbraw/zinc/55/64/57/345556457.db2.gz LWUJASRJFRETMK-UHFFFAOYSA-N -1 3 271.291 3.202 20 0 CGADHM O=c1nc(-c2ccccn2)[n-]c2sc3ccccc3c21 ZINC000077251913 345564863 /nfs/dbraw/zinc/56/48/63/345564863.db2.gz LHZXBAWUIUPHDS-UHFFFAOYSA-N -1 3 279.324 3.200 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])c1c(F)cccc1F ZINC000084407932 345733558 /nfs/dbraw/zinc/73/35/58/345733558.db2.gz NGQJCWAVOMPVND-UHFFFAOYSA-N -1 3 267.206 3.062 20 0 CGADHM Cc1cccc(CN(C)[C@H](C)c2ccc(C(=O)[O-])o2)c1 ZINC000091780904 345823158 /nfs/dbraw/zinc/82/31/58/345823158.db2.gz DXKCWICVZMPMKI-GFCCVEGCSA-N -1 3 273.332 3.479 20 0 CGADHM O=S(=O)(CCC1CC1)[N-]c1ccccc1OCC1CC1 ZINC000092276582 345834323 /nfs/dbraw/zinc/83/43/23/345834323.db2.gz CBJINOSWFZJORV-UHFFFAOYSA-N -1 3 295.404 3.017 20 0 CGADHM CCc1cccc(C(=O)N(C)[C@H](C)c2ccccn2)c1[O-] ZINC000094063010 345894433 /nfs/dbraw/zinc/89/44/33/345894433.db2.gz RBDDDVWETZSXPV-GFCCVEGCSA-N -1 3 284.359 3.183 20 0 CGADHM COc1ccc(C(=O)N2CCC[C@H]2CC(C)(C)C)c([O-])c1 ZINC000094069456 345894583 /nfs/dbraw/zinc/89/45/83/345894583.db2.gz YQIGSJBPCQUZST-LBPRGKRZSA-N -1 3 291.391 3.442 20 0 CGADHM Cc1sc(C(=O)[O-])cc1CN(C)CCc1ccccc1 ZINC000122769081 346007113 /nfs/dbraw/zinc/00/71/13/346007113.db2.gz BKFXDNNPIRMJKO-UHFFFAOYSA-N -1 3 289.400 3.429 20 0 CGADHM COc1ccc([O-])c(C(=O)N2C[C@H](C)c3ccccc32)c1 ZINC000130031338 346053626 /nfs/dbraw/zinc/05/36/26/346053626.db2.gz WPMHEZMIGXPJBY-NSHDSACASA-N -1 3 283.327 3.165 20 0 CGADHM O=C(NCc1ccc([O-])c(F)c1)c1ccc2ccccc2n1 ZINC000133166765 346075635 /nfs/dbraw/zinc/07/56/35/346075635.db2.gz XVUKKQUTTZHDNK-UHFFFAOYSA-N -1 3 296.301 3.010 20 0 CGADHM Cc1csc([N-]C(=O)c2cc(-c3cccs3)on2)n1 ZINC000140844480 346105972 /nfs/dbraw/zinc/10/59/72/346105972.db2.gz DDHHLVWMJUZZLI-UHFFFAOYSA-N -1 3 291.357 3.420 20 0 CGADHM O=C(Cc1ccc([O-])cc1Cl)N[C@@H]1CC2CCC1CC2 ZINC000351692755 219177221 /nfs/dbraw/zinc/17/72/21/219177221.db2.gz LITWBGCTXHGDPW-QKFMDRJYSA-N -1 3 293.794 3.283 20 0 CGADHM C[C@@H]1CCC[C@@H]1CC(=O)Nc1cccc([O-])c1F ZINC000187722911 346261010 /nfs/dbraw/zinc/26/10/10/346261010.db2.gz UZEXFXXXDIFJND-NXEZZACHSA-N -1 3 251.301 3.296 20 0 CGADHM CC1CCN([C@H](C(=O)[O-])c2c(F)cccc2Cl)CC1 ZINC000212261822 346287044 /nfs/dbraw/zinc/28/70/44/346287044.db2.gz IFCBCPGMPVZQBU-ZDUSSCGKSA-N -1 3 285.746 3.337 20 0 CGADHM Cc1sc(C(=O)[O-])cc1CN1CCS[C@@H](C)[C@H]1C ZINC000228976176 346316365 /nfs/dbraw/zinc/31/63/65/346316365.db2.gz KSECHHRFINDURB-BDAKNGLRSA-N -1 3 285.434 3.081 20 0 CGADHM Cc1noc(C)c1[C@H](C)c1nc(-c2ccc([O-])cc2)no1 ZINC000350592719 346523364 /nfs/dbraw/zinc/52/33/64/346523364.db2.gz ZKKZLRQUQSMBOC-QMMMGPOBSA-N -1 3 285.303 3.199 20 0 CGADHM [O-]c1ccc(-c2noc(-c3sccc3F)n2)cc1 ZINC000381026399 346557899 /nfs/dbraw/zinc/55/78/99/346557899.db2.gz QUXFUCHFBDTNDI-UHFFFAOYSA-N -1 3 262.265 3.310 20 0 CGADHM CN(C(=O)c1cc([O-])ccc1Cl)C1(C)CCCC1 ZINC000351751963 219195818 /nfs/dbraw/zinc/19/58/18/219195818.db2.gz BCYNHYURIBLIDZ-UHFFFAOYSA-N -1 3 267.756 3.450 20 0 CGADHM O=C([O-])CN(Cc1ccc(Cl)cc1Cl)C1CCC1 ZINC000584729857 346710927 /nfs/dbraw/zinc/71/09/27/346710927.db2.gz GRIGQVIWIAVJSR-UHFFFAOYSA-N -1 3 288.174 3.433 20 0 CGADHM O=C([O-])[C@H]1C[C@H](NCc2ccc(Oc3ccccc3)o2)C1 ZINC000584850110 346718687 /nfs/dbraw/zinc/71/86/87/346718687.db2.gz MAVFULDKLRNBJZ-HAQNSBGRSA-N -1 3 287.315 3.025 20 0 CGADHM CCCCn1c(=O)[n-]nc1S[C@H]1CCC[C@@H](C)C1 ZINC000605076702 348146271 /nfs/dbraw/zinc/14/62/71/348146271.db2.gz VVDCTHMIUQLEHA-MNOVXSKESA-N -1 3 269.414 3.455 20 0 CGADHM Cc1noc(C)c1[N-]C(=O)c1cc2cccc(F)c2o1 ZINC000607811653 348264519 /nfs/dbraw/zinc/26/45/19/348264519.db2.gz YLYRCYNMMQXIDS-UHFFFAOYSA-N -1 3 274.251 3.429 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)[C@@H](C)c2ccco2)c1-c1ccccc1 ZINC000608359359 348300600 /nfs/dbraw/zinc/30/06/00/348300600.db2.gz JBFBRXJOZXINOI-NSHDSACASA-N -1 3 295.342 3.142 20 0 CGADHM CC1(C)CC[C@@H]1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000613028482 348560131 /nfs/dbraw/zinc/56/01/31/348560131.db2.gz PULNGSXQHXIZAL-SECBINFHSA-N -1 3 253.729 3.420 20 0 CGADHM CO[C@H](C(=O)Nc1cc(Cl)cc(C)c1[O-])C1CCC1 ZINC000613036513 348561457 /nfs/dbraw/zinc/56/14/57/348561457.db2.gz UCTCMVZDTMCKBU-ZDUSSCGKSA-N -1 3 283.755 3.108 20 0 CGADHM CO[C@@H](C(=O)Nc1c(C)cccc1[O-])C1CCCCC1 ZINC000613205887 348574974 /nfs/dbraw/zinc/57/49/74/348574974.db2.gz HJTSJBZQIKRVDW-OAHLLOKOSA-N -1 3 277.364 3.234 20 0 CGADHM CO[C@@H](C(=O)N1CC[C@@H](C)c2cccc([O-])c21)C1CCC1 ZINC000613575468 348620053 /nfs/dbraw/zinc/62/00/53/348620053.db2.gz DCYQWSQQXYIFFJ-BDJLRTHQSA-N -1 3 289.375 3.048 20 0 CGADHM COc1ccc(NC(=O)[C@@H]2CCCC3(CC3)C2)c([O-])c1 ZINC000613833098 348634326 /nfs/dbraw/zinc/63/43/26/348634326.db2.gz USMWNUBPKUEGSS-LLVKDONJSA-N -1 3 275.348 3.310 20 0 CGADHM O=[S@](CCC1CCCCC1)c1cccc([O-])c1 ZINC000616194340 348796733 /nfs/dbraw/zinc/79/67/33/348796733.db2.gz TYXMRWMCTLZOQS-QGZVFWFLSA-N -1 3 252.379 3.470 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-][C@H](C)c2ccc(Cl)cc2)o1 ZINC000358461315 233135810 /nfs/dbraw/zinc/13/58/10/233135810.db2.gz DJYWWWVUHMWWBT-SNVBAGLBSA-N -1 3 299.779 3.281 20 0 CGADHM O=C(c1cccc([O-])c1)N1CCC(c2ccco2)CC1 ZINC000617377949 348953308 /nfs/dbraw/zinc/95/33/08/348953308.db2.gz LHEOYOUORQCBFC-UHFFFAOYSA-N -1 3 271.316 3.005 20 0 CGADHM CC(C)[C@H](NC(=O)c1csc(=O)[n-]1)c1ccccc1F ZINC000617994220 349035060 /nfs/dbraw/zinc/03/50/60/349035060.db2.gz IBFMEGAFYSIUNS-LBPRGKRZSA-N -1 3 294.351 3.115 20 0 CGADHM CCc1cc(C(=O)NCC[C@]2(C)CC2(F)F)ccc1[O-] ZINC000618636461 349132986 /nfs/dbraw/zinc/13/29/86/349132986.db2.gz KEFUPWVACOSIPT-CQSZACIVSA-N -1 3 283.318 3.120 20 0 CGADHM Cc1cccc(CN(C)C(=O)c2cccc([O-])c2)c1C ZINC000358777617 233194914 /nfs/dbraw/zinc/19/49/14/233194914.db2.gz YEZVPRFHQLDHDJ-UHFFFAOYSA-N -1 3 269.344 3.281 20 0 CGADHM O=c1cc(C=Cc2ccccc2)nc(-c2ccncc2)[n-]1 ZINC000352022100 219293311 /nfs/dbraw/zinc/29/33/11/219293311.db2.gz VEIGKBLFFAPDND-VOTSOKGWSA-N -1 3 275.311 3.002 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2ncc(C(F)(F)F)s2)n1 ZINC000352035379 219296176 /nfs/dbraw/zinc/29/61/76/219296176.db2.gz PYTXHKQYEOXCQU-IHWYPQMZSA-N -1 3 287.266 3.136 20 0 CGADHM O=C(CCc1ccc2ccccc2c1[O-])N1CC[C@@H]2C[C@@H]2C1 ZINC000619373057 349239755 /nfs/dbraw/zinc/23/97/55/349239755.db2.gz SOUBYUGEQHIFBJ-HZPDHXFCSA-N -1 3 295.382 3.346 20 0 CGADHM COc1cc(C(=O)N2CCC[C@H](C3CCC3)C2)ccc1[O-] ZINC000620206369 349338866 /nfs/dbraw/zinc/33/88/66/349338866.db2.gz MXACKHRKKUISAM-AWEZNQCLSA-N -1 3 289.375 3.053 20 0 CGADHM CCCCC[C@H]1CCCCN1C(=O)Cc1cncc([O-])c1 ZINC000620566694 349384611 /nfs/dbraw/zinc/38/46/11/349384611.db2.gz NNGUFSVEIQDDJT-HNNXBMFYSA-N -1 3 290.407 3.291 20 0 CGADHM CC[C@@H]1CCC[C@H](C)N1C(=O)c1cccc(C)c1[O-] ZINC000620575815 349387953 /nfs/dbraw/zinc/38/79/53/349387953.db2.gz HXWPZUSPXFKWNH-QWHCGFSZSA-N -1 3 261.365 3.494 20 0 CGADHM CN(Cc1cc([O-])ccc1Cl)C[C@H]1CCCCO1 ZINC000625097687 350128118 /nfs/dbraw/zinc/12/81/18/350128118.db2.gz AJQVNFOMTYAXPI-CYBMUJFWSA-N -1 3 269.772 3.047 20 0 CGADHM CSc1nnc(NC(=O)CC(C2CCC2)C2CCC2)[n-]1 ZINC000624925163 350115858 /nfs/dbraw/zinc/11/58/58/350115858.db2.gz QTGVUBKFMBMKCI-UHFFFAOYSA-N -1 3 294.424 3.072 20 0 CGADHM CSc1n[n-]c(NC(=O)CC(C2CCC2)C2CCC2)n1 ZINC000624925163 350115861 /nfs/dbraw/zinc/11/58/61/350115861.db2.gz QTGVUBKFMBMKCI-UHFFFAOYSA-N -1 3 294.424 3.072 20 0 CGADHM CSc1nc(NC(=O)CC(C2CCC2)C2CCC2)n[n-]1 ZINC000624925163 350115862 /nfs/dbraw/zinc/11/58/62/350115862.db2.gz QTGVUBKFMBMKCI-UHFFFAOYSA-N -1 3 294.424 3.072 20 0 CGADHM CN(Cc1cc([O-])ccc1Cl)C[C@@H]1CCCC[C@@H]1O ZINC000625315798 350157360 /nfs/dbraw/zinc/15/73/60/350157360.db2.gz WPRVWFNHVTVADX-NHYWBVRUSA-N -1 3 283.799 3.029 20 0 CGADHM CCC[C@@H]1CN(Cc2cc([O-])ccc2Cl)CCO1 ZINC000625272070 350150489 /nfs/dbraw/zinc/15/04/89/350150489.db2.gz VAMDZPYCIUXDKF-CYBMUJFWSA-N -1 3 269.772 3.047 20 0 CGADHM O=C1CCN(Cc2cc([O-])ccc2Cl)C2(CCC2)C1 ZINC000625470959 350176985 /nfs/dbraw/zinc/17/69/85/350176985.db2.gz BBTAHRSDNVRYTH-UHFFFAOYSA-N -1 3 279.767 3.133 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CC(Cc2ccccc2)C1 ZINC000626391353 350302085 /nfs/dbraw/zinc/30/20/85/350302085.db2.gz SQVLVTCNAGCAHD-UHFFFAOYSA-N -1 3 281.355 3.015 20 0 CGADHM C[C@H](CNCc1c(F)ccc([O-])c1F)N1CCCC[C@@H]1C ZINC000352123934 219330265 /nfs/dbraw/zinc/33/02/65/219330265.db2.gz STRYGHBNNDYTFL-NWDGAFQWSA-N -1 3 298.377 3.023 20 0 CGADHM Cc1cccc([O-])c1C(=O)N(C)[C@H]1CCC(C)(C)C1 ZINC000626783518 350341214 /nfs/dbraw/zinc/34/12/14/350341214.db2.gz FMWDEMQVKMRZJU-LBPRGKRZSA-N -1 3 261.365 3.351 20 0 CGADHM CCO[C@@H](CNC(=O)c1c(C)cccc1[O-])c1ccccc1 ZINC000626679482 350331845 /nfs/dbraw/zinc/33/18/45/350331845.db2.gz VAVVUSNPGCQFSE-INIZCTEOSA-N -1 3 299.370 3.208 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CCC(c2ccco2)CC1 ZINC000628047037 350394755 /nfs/dbraw/zinc/39/47/55/350394755.db2.gz SPBIGANCKMXKOJ-UHFFFAOYSA-N -1 3 285.343 3.313 20 0 CGADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1C[C@@H]2C[C@@H]2C1 ZINC000628514702 350565000 /nfs/dbraw/zinc/56/50/00/350565000.db2.gz WGRGIZXCSAUQAQ-IYBDPMFKSA-N -1 3 293.366 3.075 20 0 CGADHM CCC(F)(F)CNC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000628839455 350611821 /nfs/dbraw/zinc/61/18/21/350611821.db2.gz LHNXHUXSQPGLFD-UHFFFAOYSA-N -1 3 297.223 3.186 20 0 CGADHM CCC[C@@H](C)CCCN1CCc2occc2[C@@H]1C(=O)[O-] ZINC000629366512 350680059 /nfs/dbraw/zinc/68/00/59/350680059.db2.gz PXDYDHROOMEAHS-IUODEOHRSA-N -1 3 279.380 3.480 20 0 CGADHM O=C([O-])[C@@H]1CCN(CCCCC(F)(F)F)[C@@H]2CCC[C@@H]21 ZINC000629377613 350684282 /nfs/dbraw/zinc/68/42/82/350684282.db2.gz NXROLJHLAIAMDB-IJLUTSLNSA-N -1 3 293.329 3.294 20 0 CGADHM CCC(O)(CC)CN(C)C(=O)c1ccc(C(C)C)cc1[O-] ZINC000629636770 350726127 /nfs/dbraw/zinc/72/61/27/350726127.db2.gz TVHUSDUHPAWSJT-UHFFFAOYSA-N -1 3 293.407 3.139 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CC[C@@H](c2ccc(O)cc2)C1 ZINC000629654022 350731393 /nfs/dbraw/zinc/73/13/93/350731393.db2.gz AKWIRBUIWIBYFD-CQSZACIVSA-N -1 3 297.354 3.036 20 0 CGADHM CCc1cc(C(=O)NC[C@@H]2CCCC23CC3)ccc1[O-] ZINC000629827806 350768828 /nfs/dbraw/zinc/76/88/28/350768828.db2.gz NIQDUHHJLVMLRG-AWEZNQCLSA-N -1 3 273.376 3.265 20 0 CGADHM O=C([O-])[C@H]1CC[C@H](NCc2cc(Cl)ccc2F)CC1 ZINC000630476574 350847038 /nfs/dbraw/zinc/84/70/38/350847038.db2.gz SDUNMWKANCMQAL-OTCDBFHCSA-N -1 3 285.746 3.212 20 0 CGADHM CC[C@H](C)Cc1noc(-c2n[n-]nc2-c2ccccc2)n1 ZINC000632249728 351187107 /nfs/dbraw/zinc/18/71/07/351187107.db2.gz RUPSAXYDXYHUAB-JTQLQIEISA-N -1 3 283.335 3.110 20 0 CGADHM CCn1cc(C(=O)Nc2c(C)cccc2[O-])c(C2CC2)n1 ZINC000632265084 351189049 /nfs/dbraw/zinc/18/90/49/351189049.db2.gz MTPSUHBYOVDGLZ-UHFFFAOYSA-N -1 3 285.347 3.047 20 0 CGADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@H]1CCCC12CC2 ZINC000633781879 351370831 /nfs/dbraw/zinc/37/08/31/351370831.db2.gz TXCJUYDYVUDUCR-HNNXBMFYSA-N -1 3 291.366 3.303 20 0 CGADHM C[C@H](C1CC1)N(C(=O)Cc1cncc([O-])c1)c1ccccc1 ZINC000633844766 351390263 /nfs/dbraw/zinc/39/02/63/351390263.db2.gz GEYAOYJWMDGATI-CYBMUJFWSA-N -1 3 296.370 3.161 20 0 CGADHM CCC(C)(C)CCNC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000633967582 351408810 /nfs/dbraw/zinc/40/88/10/351408810.db2.gz REDFPRLZPKNVOM-UHFFFAOYSA-N -1 3 286.375 3.084 20 0 CGADHM C[C@@H](CC1CCC1)NC(=O)c1cc([O-])ccc1Cl ZINC000634369565 351482154 /nfs/dbraw/zinc/48/21/54/351482154.db2.gz DBEUJCGJVLZUHJ-VIFPVBQESA-N -1 3 267.756 3.354 20 0 CGADHM CCc1cc(C(=O)N(C)Cc2cccs2)ccc1[O-] ZINC000291430458 198020189 /nfs/dbraw/zinc/02/01/89/198020189.db2.gz JFTYOOWXTGORFS-UHFFFAOYSA-N -1 3 275.373 3.288 20 0 CGADHM CCCS(=O)(=O)[N-]c1cccnc1-c1csc(C)c1 ZINC000634665682 351556064 /nfs/dbraw/zinc/55/60/64/351556064.db2.gz UERKEHTYHAOVII-UHFFFAOYSA-N -1 3 296.417 3.270 20 0 CGADHM CC(=O)c1cccc(NC(=O)C2CCC=CCC2)c1[O-] ZINC000635930451 351702705 /nfs/dbraw/zinc/70/27/05/351702705.db2.gz RTDQWZGSXDEMFU-UHFFFAOYSA-N -1 3 273.332 3.280 20 0 CGADHM CCc1cc(=O)[n-]c(CN2CC[C@H](c3ccccc3)[C@@H]2C)n1 ZINC000122078428 187014016 /nfs/dbraw/zinc/01/40/16/187014016.db2.gz SVEHHMBIFIZZNP-BBRMVZONSA-N -1 3 297.402 3.123 20 0 CGADHM CCc1cc(C(=O)N[C@H](C2CC2)C(F)(F)F)ccc1[O-] ZINC000291714792 198068574 /nfs/dbraw/zinc/06/85/74/198068574.db2.gz GSKGALNQAWGCJI-GFCCVEGCSA-N -1 3 287.281 3.025 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)Nc1ccc(OC)c(Cl)c1 ZINC000291964648 198119460 /nfs/dbraw/zinc/11/94/60/198119460.db2.gz WXQXHQRZPWRTKA-VIFPVBQESA-N -1 3 286.759 3.448 20 0 CGADHM CCOCc1nc(=O)c2c3c(sc2[n-]1)CCCCC3 ZINC000336487688 213360484 /nfs/dbraw/zinc/36/04/84/213360484.db2.gz NEUXYWIZFCSUAC-UHFFFAOYSA-N -1 3 278.377 3.202 20 0 CGADHM CCCc1nc(C)c(C(=O)Nc2ccc(C)cc2[O-])o1 ZINC000292236247 198212660 /nfs/dbraw/zinc/21/26/60/198212660.db2.gz BOYKTNOHUXUKRE-UHFFFAOYSA-N -1 3 274.320 3.202 20 0 CGADHM CC(C)c1ccc(CCC(=O)[N-]OCc2cccnc2)cc1 ZINC000152651958 188034522 /nfs/dbraw/zinc/03/45/22/188034522.db2.gz HMNGKZKZCYGMRK-UHFFFAOYSA-N -1 3 298.386 3.386 20 0 CGADHM CC(C)CO[N-]C(=O)CCC(=O)c1ccc(Cl)cc1 ZINC000153557631 188089335 /nfs/dbraw/zinc/08/93/35/188089335.db2.gz MOMWMXFINDERBQ-UHFFFAOYSA-N -1 3 283.755 3.007 20 0 CGADHM CC(=O)[C@H](C)CCCCC(=O)Nc1ccccc1[O-] ZINC000153804327 188104591 /nfs/dbraw/zinc/10/45/91/188104591.db2.gz DLTHHORQXBMERQ-LLVKDONJSA-N -1 3 263.337 3.116 20 0 CGADHM CCCCSCCC(=O)Nc1ccccc1[O-] ZINC000154906099 188169410 /nfs/dbraw/zinc/16/94/10/188169410.db2.gz NOMLXLSGVVICRF-UHFFFAOYSA-N -1 3 253.367 3.254 20 0 CGADHM Cc1noc(C)c1[C@H](C)CC(=O)Nc1ccc(C)cc1[O-] ZINC000155289463 188195938 /nfs/dbraw/zinc/19/59/38/188195938.db2.gz DDRSVXFHVFBFTR-SNVBAGLBSA-N -1 3 288.347 3.438 20 0 CGADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1ccc(F)c(Cl)c1 ZINC000155475652 188209357 /nfs/dbraw/zinc/20/93/57/188209357.db2.gz ZNHINPITEUCHGK-LLVKDONJSA-N -1 3 288.706 3.059 20 0 CGADHM O=C([N-]O[C@@H]1CCCCO1)Nc1ccc(F)c(Cl)c1 ZINC000155475652 188209359 /nfs/dbraw/zinc/20/93/59/188209359.db2.gz ZNHINPITEUCHGK-LLVKDONJSA-N -1 3 288.706 3.059 20 0 CGADHM Fc1ccc2c(c1)CC[C@@H]2[N-]c1nnc(C(F)F)o1 ZINC000292634344 198358950 /nfs/dbraw/zinc/35/89/50/198358950.db2.gz YLBBEOVPGCTEPO-VIFPVBQESA-N -1 3 269.226 3.246 20 0 CGADHM Cc1ccccc1[C@]1(F)CCN(C(=O)c2cccc([O-])c2)C1 ZINC000374439568 234686529 /nfs/dbraw/zinc/68/65/29/234686529.db2.gz KLCXCZUMVCFKGJ-SFHVURJKSA-N -1 3 299.345 3.412 20 0 CGADHM Cc1csc([N-]C(=O)c2ncsc2C(F)(F)F)n1 ZINC000336379914 213233403 /nfs/dbraw/zinc/23/34/03/213233403.db2.gz VLMRAHHGIRNRCZ-UHFFFAOYSA-N -1 3 293.295 3.179 20 0 CGADHM C[C@H](NC(=O)c1csc(=O)[n-]1)c1ccc(Cl)s1 ZINC000336355035 213205330 /nfs/dbraw/zinc/20/53/30/213205330.db2.gz CLNBJPQZXXZEOB-YFKPBYRVSA-N -1 3 288.781 3.055 20 0 CGADHM CC(C)c1cc(NC([O-])=NOCc2ccc(F)cc2)no1 ZINC000273524587 192187971 /nfs/dbraw/zinc/18/79/71/192187971.db2.gz UYBIEBMTSZNDPH-UHFFFAOYSA-N -1 3 293.298 3.190 20 0 CGADHM CC(C)c1cc(NC(=O)[N-]OCc2ccc(F)cc2)no1 ZINC000273524587 192187972 /nfs/dbraw/zinc/18/79/72/192187972.db2.gz UYBIEBMTSZNDPH-UHFFFAOYSA-N -1 3 293.298 3.190 20 0 CGADHM O=C([O-])CCN1CCc2sccc2[C@@H]1c1cccs1 ZINC000238164412 304052968 /nfs/dbraw/zinc/05/29/68/304052968.db2.gz PUWKPTOXSVRRBA-CQSZACIVSA-N -1 3 293.413 3.232 20 0 CGADHM O=C(Nc1cccc([O-])c1F)c1ccc2c(c1)CCCC2=O ZINC000336331028 213177221 /nfs/dbraw/zinc/17/72/21/213177221.db2.gz RJLIBSSWYZQMGV-UHFFFAOYSA-N -1 3 299.301 3.303 20 0 CGADHM O=C(Cc1ccsc1)Nc1cc(Cl)ccc1[O-] ZINC000107348848 138357777 /nfs/dbraw/zinc/35/77/77/138357777.db2.gz ASMIKLIYQDLBKW-UHFFFAOYSA-N -1 3 267.737 3.288 20 0 CGADHM C[C@H](CC(=O)Nc1ccncc1[O-])c1ccc(F)cc1 ZINC000109891636 138362025 /nfs/dbraw/zinc/36/20/25/138362025.db2.gz MCRPWZJBKYDRBR-SNVBAGLBSA-N -1 3 274.295 3.059 20 0 CGADHM O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1cccc([O-])c1 ZINC000336317051 213160275 /nfs/dbraw/zinc/16/02/75/213160275.db2.gz SGXCWALXSAZIBA-CTYIDZIISA-N -1 3 285.318 3.207 20 0 CGADHM CCOC(=O)c1ccc(NC(=O)CC2CCCC2)c([O-])c1 ZINC000124779238 138377250 /nfs/dbraw/zinc/37/72/50/138377250.db2.gz SVPPWPKTYLYCRX-UHFFFAOYSA-N -1 3 291.347 3.088 20 0 CGADHM Cc1cccc([C@@H](NCc2ccc(F)cc2)C(=O)[O-])c1C ZINC000426717668 236307887 /nfs/dbraw/zinc/30/78/87/236307887.db2.gz QYURRJSNFUIAPO-MRXNPFEDSA-N -1 3 287.334 3.358 20 0 CGADHM Cc1cscc1CNC(=O)Cc1ccc([O-])cc1Cl ZINC000427604078 236336342 /nfs/dbraw/zinc/33/63/42/236336342.db2.gz XJLFFIDPIRAMHS-UHFFFAOYSA-N -1 3 295.791 3.274 20 0 CGADHM CCC[C@@H](OC)c1noc(-c2cccc(CC)c2[O-])n1 ZINC000518317560 535404235 /nfs/dbraw/zinc/40/42/35/535404235.db2.gz BENSOSROPIBLSF-GFCCVEGCSA-N -1 3 276.336 3.492 20 0 CGADHM C[C@@H]1CCC[C@]1(C)C(=O)Nc1cccc([O-])c1F ZINC000336186482 213005300 /nfs/dbraw/zinc/00/53/00/213005300.db2.gz WGEPLYASAUUHBY-OTYXRUKQSA-N -1 3 251.301 3.296 20 0 CGADHM C[C@H]1C[C@H](c2nc(-c3ccc([O-])c4ccccc34)no2)CO1 ZINC000436619869 237145668 /nfs/dbraw/zinc/14/56/68/237145668.db2.gz SXVHHYLWZKTGCD-QWRGUYRKSA-N -1 3 296.326 3.488 20 0 CGADHM Cc1cc(C)cc([C@H](C)NC(=O)c2c([O-])cccc2O)c1 ZINC000436647830 237153682 /nfs/dbraw/zinc/15/36/82/237153682.db2.gz LSRDQINMJDDOII-LBPRGKRZSA-N -1 3 285.343 3.206 20 0 CGADHM Cc1ccc(C(=O)N2CCS[C@H](C(C)C)C2)c([O-])c1C ZINC000436571702 237132020 /nfs/dbraw/zinc/13/20/20/237132020.db2.gz DJQGFRGQOMYORU-AWEZNQCLSA-N -1 3 293.432 3.223 20 0 CGADHM COc1cccc(C2(NC(=O)c3cc(C)ccc3[O-])CC2)c1 ZINC000436584840 237137413 /nfs/dbraw/zinc/13/74/13/237137413.db2.gz NXQJTJKLODBBRC-UHFFFAOYSA-N -1 3 297.354 3.128 20 0 CGADHM Cc1cc([C@@H](C)NC(=O)c2ccccc2[O-])ccc1F ZINC000436587992 237138010 /nfs/dbraw/zinc/13/80/10/237138010.db2.gz QUWYPSZFFBNUIN-LLVKDONJSA-N -1 3 273.307 3.331 20 0 CGADHM Cc1ccsc1CCNC(=O)c1cccc(C)c1[O-] ZINC000436791425 237182503 /nfs/dbraw/zinc/18/25/03/237182503.db2.gz KGKTXNKWSMLMQT-UHFFFAOYSA-N -1 3 275.373 3.043 20 0 CGADHM Cc1cc(C(=O)N2Cc3ccccc3O[C@H](C)C2)ccc1[O-] ZINC000436817732 237187191 /nfs/dbraw/zinc/18/71/91/237187191.db2.gz YJJODYVDTQCMAE-CYBMUJFWSA-N -1 3 297.354 3.124 20 0 CGADHM Cc1cc(C(=O)N2CC[C@@]3(CC[C@H](C)C3)C2)ccc1[O-] ZINC000436722729 237167684 /nfs/dbraw/zinc/16/76/84/237167684.db2.gz OXTVZVLPJYTFQS-YVEFUNNKSA-N -1 3 273.376 3.353 20 0 CGADHM Cc1ccc(C(=O)N[C@@H](C2CC2)C(F)(F)F)c([O-])c1C ZINC000436747849 237175880 /nfs/dbraw/zinc/17/58/80/237175880.db2.gz OWIIABJABNTOMQ-LBPRGKRZSA-N -1 3 287.281 3.080 20 0 CGADHM Cc1c(NC(=O)c2cc(C)ccc2[O-])cnn1CC(C)C ZINC000436963613 237221745 /nfs/dbraw/zinc/22/17/45/237221745.db2.gz OYFSIEUBXQSBHX-UHFFFAOYSA-N -1 3 287.363 3.114 20 0 CGADHM Cc1ccc(C(=O)NCCC[C@H]2CCCCO2)c([O-])c1C ZINC000436983854 237225949 /nfs/dbraw/zinc/22/59/49/237225949.db2.gz YDXHVQCFFGLYCA-CQSZACIVSA-N -1 3 291.391 3.088 20 0 CGADHM Cc1cc(C(=O)NCCO[C@H]2CCCC[C@@H]2C)ccc1[O-] ZINC000436898594 237204896 /nfs/dbraw/zinc/20/48/96/237204896.db2.gz YYUOORLPFCJJHU-LRDDRELGSA-N -1 3 291.391 3.026 20 0 CGADHM O=C([O-])[C@]12CCC[C@H]1CN(Cc1ccc(Cl)s1)C2 ZINC000297059050 200073977 /nfs/dbraw/zinc/07/39/77/200073977.db2.gz STPIIAODXVKRGZ-ZANVPECISA-N -1 3 285.796 3.088 20 0 CGADHM CCCc1ccc(C(=O)CCC(=O)[N-]OC(C)C)cc1 ZINC000297225655 200119201 /nfs/dbraw/zinc/11/92/01/200119201.db2.gz OBPQMDKOCXIXID-UHFFFAOYSA-N -1 3 277.364 3.058 20 0 CGADHM CCC[C@@H]1CCCCN1C(=O)c1cccc(OC)c1[O-] ZINC000179512413 189198774 /nfs/dbraw/zinc/19/87/74/189198774.db2.gz WGVWMYAZYHHVPM-GFCCVEGCSA-N -1 3 277.364 3.196 20 0 CGADHM O=C(Nc1cccc([O-])c1F)[C@H]1CC12CCCCC2 ZINC000335806005 212554001 /nfs/dbraw/zinc/55/40/01/212554001.db2.gz LEYJKYQYLWYOSN-SNVBAGLBSA-N -1 3 263.312 3.440 20 0 CGADHM C[C@@H]([N-]C(=O)C(C)(Cl)Cl)c1ccc(F)c(F)c1 ZINC000182443654 189323734 /nfs/dbraw/zinc/32/37/34/189323734.db2.gz ZXBJUOKGCQXBSZ-ZCFIWIBFSA-N -1 3 282.117 3.336 20 0 CGADHM C[C@H]([N-]C(=O)C(C)(Cl)Cl)c1ccc(F)cc1F ZINC000182439934 189323736 /nfs/dbraw/zinc/32/37/36/189323736.db2.gz KRZWVEFDOWKDBW-LURJTMIESA-N -1 3 282.117 3.336 20 0 CGADHM CCO[N-]C(=O)Nc1ccc2c(ccn2CC(C)C)c1 ZINC000182969966 189341287 /nfs/dbraw/zinc/34/12/87/189341287.db2.gz UPUHTDIIGFYQJM-UHFFFAOYSA-N -1 3 275.352 3.370 20 0 CGADHM COC[C@H]([N-]c1noc(C(C)(C)C)n1)c1ccc(C)o1 ZINC000302124348 201352393 /nfs/dbraw/zinc/35/23/93/201352393.db2.gz HQHJMDABZMFJIU-JTQLQIEISA-N -1 3 279.340 3.068 20 0 CGADHM [O-]c1cc(CN2CC3(CC3)C2)cc(C(F)(F)F)c1 ZINC000449370287 239354796 /nfs/dbraw/zinc/35/47/96/239354796.db2.gz JERXFOKJIXYCLN-UHFFFAOYSA-N -1 3 257.255 3.007 20 0 CGADHM O=C(Nc1ccc2c(c1)CCO2)c1cc([O-])ccc1Cl ZINC000335652261 212369407 /nfs/dbraw/zinc/36/94/07/212369407.db2.gz DVFZVGQYORTDLI-UHFFFAOYSA-N -1 3 289.718 3.233 20 0 CGADHM CC[C@@]1(C)CCN(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000342854468 216575787 /nfs/dbraw/zinc/57/57/87/216575787.db2.gz AYXRYMBNBHXTOA-AWEZNQCLSA-N -1 3 267.756 3.308 20 0 CGADHM CC(C)C(=O)c1ccc([N-]S(=O)(=O)CCC2CC2)cc1 ZINC000451094261 240216712 /nfs/dbraw/zinc/21/67/12/240216712.db2.gz FBYCSSDHVHPWPF-UHFFFAOYSA-N -1 3 295.404 3.067 20 0 CGADHM CCC[C@H](CC(C)C)C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000451327047 240276303 /nfs/dbraw/zinc/27/63/03/240276303.db2.gz FNYQNPJJYZFUQU-OCCSQVGLSA-N -1 3 293.411 3.084 20 0 CGADHM CC(C)[C@@H]1CN(C(=O)Cc2ccc([O-])c(F)c2)[C@@H]1C(C)C ZINC000456292207 241393374 /nfs/dbraw/zinc/39/33/74/241393374.db2.gz ORPMXQPRJGJONS-SUMWQHHRSA-N -1 3 293.382 3.213 20 0 CGADHM O=c1cc(CN2CCC[C@H]3CCCC[C@@H]32)nc(C2CC2)[n-]1 ZINC000459288665 242056994 /nfs/dbraw/zinc/05/69/94/242056994.db2.gz JJIMSRCKBUESKE-DOMZBBRYSA-N -1 3 287.407 3.214 20 0 CGADHM [O-]c1cc(CN2C[C@@H]3C[C@H]2CS3)cc(C(F)(F)F)c1 ZINC000459776165 242226463 /nfs/dbraw/zinc/22/64/63/242226463.db2.gz REODXPSERDZSOO-JQWIXIFHSA-N -1 3 289.322 3.101 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CCC(C)(C3CC3)CC2)c1 ZINC000461186226 242301586 /nfs/dbraw/zinc/30/15/86/242301586.db2.gz AEWBZXSLLCWXPO-UHFFFAOYSA-N -1 3 273.376 3.353 20 0 CGADHM O=C([N-]c1ncccc1Cl)c1c(F)ccc(F)c1F ZINC000121611813 370878932 /nfs/dbraw/zinc/87/89/32/370878932.db2.gz NOJZCJBMKWYBKL-UHFFFAOYSA-N -1 3 286.640 3.405 20 0 CGADHM CCc1[n-][nH]c(=NC(=O)[C@H](CC(C)C)c2ccccc2)c1C ZINC000477197853 243038144 /nfs/dbraw/zinc/03/81/44/243038144.db2.gz XHQVWTKIFOSUQC-OAHLLOKOSA-N -1 3 299.418 3.471 20 0 CGADHM CCOc1ccccc1C(=O)Nc1ccc(C)cc1[O-] ZINC000001017134 368399719 /nfs/dbraw/zinc/39/97/19/368399719.db2.gz AWXJOYAVXWDNKE-UHFFFAOYSA-N -1 3 271.316 3.352 20 0 CGADHM C[C@H](CN=c1[n-]cc(C(F)(F)F)s1)C(F)(F)F ZINC000477728660 243054156 /nfs/dbraw/zinc/05/41/56/243054156.db2.gz CNNVKAQYQKWHMW-SCSAIBSYSA-N -1 3 278.221 3.194 20 0 CGADHM CCc1cc(C(=O)NC[C@H](SC)C(C)(C)C)ccc1[O-] ZINC000487012886 243394865 /nfs/dbraw/zinc/39/48/65/243394865.db2.gz QYNDDCVYHNRAMT-AWEZNQCLSA-N -1 3 295.448 3.462 20 0 CGADHM COc1cc(C(=O)N2CCC[C@H]2C(C)(C)C)ccc1[O-] ZINC000276005044 193186567 /nfs/dbraw/zinc/18/65/67/193186567.db2.gz PJHQEYLWOJHIEW-AWEZNQCLSA-N -1 3 277.364 3.052 20 0 CGADHM CC(=O)c1cccc(NC(=O)c2ccc(C)cc2[O-])c1 ZINC000019807248 368769057 /nfs/dbraw/zinc/76/90/57/368769057.db2.gz OWDDGPCEAHHZFD-UHFFFAOYSA-N -1 3 269.300 3.156 20 0 CGADHM COc1cccc(C(=O)Nc2cc(C)ccc2C)c1[O-] ZINC000019840455 368772105 /nfs/dbraw/zinc/77/21/05/368772105.db2.gz DRGZCGOQOGCIAZ-UHFFFAOYSA-N -1 3 271.316 3.270 20 0 CGADHM C[C@@H](c1cc(Cl)ccc1Cl)N(C)CC(=O)[O-] ZINC000026441916 368859913 /nfs/dbraw/zinc/85/99/13/368859913.db2.gz VCYZFEPUNTVBSM-ZETCQYMHSA-N -1 3 262.136 3.071 20 0 CGADHM O=C(c1ccc(O)cc1[O-])N1CCC[C@@H]1c1ccccc1 ZINC000034777366 368977428 /nfs/dbraw/zinc/97/74/28/368977428.db2.gz GYPWCDPKRQPQFU-OAHLLOKOSA-N -1 3 283.327 3.075 20 0 CGADHM COc1cc(C(=O)N2C[C@H](C)[C@H]3CCCC[C@H]32)ccc1[O-] ZINC000276029803 193193904 /nfs/dbraw/zinc/19/39/04/193193904.db2.gz UHSYRTGUINSMTH-IACUBPJLSA-N -1 3 289.375 3.052 20 0 CGADHM CCO/C=C\C(=O)Nc1cc(Cc2ccccc2)ccc1[O-] ZINC000493272750 244130220 /nfs/dbraw/zinc/13/02/20/244130220.db2.gz OPBKSNFVNYPTOA-KHPPLWFESA-N -1 3 297.354 3.472 20 0 CGADHM O=C(/C=C\c1cncs1)Nc1ccc(Cl)cc1[O-] ZINC000493167887 244110680 /nfs/dbraw/zinc/11/06/80/244110680.db2.gz BDIWXXHBTNDSBH-RQOWECAXSA-N -1 3 280.736 3.154 20 0 CGADHM O=C(/C=C\c1cncs1)Nc1cc(Cl)ccc1[O-] ZINC000493328156 244141888 /nfs/dbraw/zinc/14/18/88/244141888.db2.gz VTMWLMIFOJIIBI-RQOWECAXSA-N -1 3 280.736 3.154 20 0 CGADHM C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)[N-]OC2CCC2)o1 ZINC000493422211 244161535 /nfs/dbraw/zinc/16/15/35/244161535.db2.gz BYAWSBQSIMSQEG-CBEDBXNCSA-N -1 3 261.321 3.017 20 0 CGADHM CCN(C(=O)c1cccc([O-])c1)c1ccc(F)cc1 ZINC000049632996 369412024 /nfs/dbraw/zinc/41/20/24/369412024.db2.gz RXMYISFUHZOQEA-UHFFFAOYSA-N -1 3 259.280 3.198 20 0 CGADHM Cc1ccc(C)c(CN[C@H](C(=O)[O-])c2ccccc2)c1 ZINC000050510293 369440459 /nfs/dbraw/zinc/44/04/59/369440459.db2.gz GMFNRUYCCRCLLP-INIZCTEOSA-N -1 3 269.344 3.219 20 0 CGADHM O=C(NCc1ccccc1C(F)(F)F)c1cccc([O-])c1 ZINC000061627282 369604429 /nfs/dbraw/zinc/60/44/29/369604429.db2.gz RZLSSAHURSQBIG-UHFFFAOYSA-N -1 3 295.260 3.341 20 0 CGADHM Cc1ccc2c(c1)CN(Cc1c(F)ccc([O-])c1F)C2 ZINC000353285701 220010127 /nfs/dbraw/zinc/01/01/27/220010127.db2.gz JDPVZOBXXOLMFW-UHFFFAOYSA-N -1 3 275.298 3.495 20 0 CGADHM C[C@@H]1Cc2ccccc2N(C(=O)c2cccc([O-])c2)C1 ZINC000105569980 370349803 /nfs/dbraw/zinc/34/98/03/370349803.db2.gz FVUDRRLBURUSFM-GFCCVEGCSA-N -1 3 267.328 3.231 20 0 CGADHM CC[C@@H](NCc1nc(C)ccc1[O-])c1ccccc1 ZINC000112716905 370445831 /nfs/dbraw/zinc/44/58/31/370445831.db2.gz UCOITASQLYYTIJ-CQSZACIVSA-N -1 3 256.349 3.337 20 0 CGADHM Cc1ccc([O-])c(CNC2(c3nccs3)CCCC2)n1 ZINC000116374572 370558705 /nfs/dbraw/zinc/55/87/05/370558705.db2.gz NRVONIQFAVICBI-UHFFFAOYSA-N -1 3 289.404 3.111 20 0 CGADHM O=C(C[C@H]1CCOc2ccccc21)Nc1ccccc1[O-] ZINC000117969769 370602981 /nfs/dbraw/zinc/60/29/81/370602981.db2.gz PJTNAZYVDGNNCD-GFCCVEGCSA-N -1 3 283.327 3.287 20 0 CGADHM Cc1occc1SCC(=O)Nc1ccccc1[O-] ZINC000131477478 371110322 /nfs/dbraw/zinc/11/03/22/371110322.db2.gz FJXFFFDYIALLDX-UHFFFAOYSA-N -1 3 263.318 3.024 20 0 CGADHM Cc1cccc(C(=O)N2CCC[C@@H]2CC(C)C)c1[O-] ZINC000133237886 371237038 /nfs/dbraw/zinc/23/70/38/371237038.db2.gz NCHGBVRBCUMMAQ-CYBMUJFWSA-N -1 3 261.365 3.351 20 0 CGADHM C[C@H](Cc1ccccc1Cl)C(=O)[N-]O[C@@H]1CCCCO1 ZINC000151755480 371632895 /nfs/dbraw/zinc/63/28/95/371632895.db2.gz HJYHYSKVHROKKL-BXUZGUMPSA-N -1 3 297.782 3.093 20 0 CGADHM O=C(Nc1ccc(Cl)cc1[O-])[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000421790667 371634062 /nfs/dbraw/zinc/63/40/62/371634062.db2.gz FYNXIYMWICHWFO-AEJSXWLSSA-N -1 3 265.740 3.420 20 0 CGADHM [O-]C(=NOC1CCCC1)Nc1cccc(F)c1Cl ZINC000287792513 371706349 /nfs/dbraw/zinc/70/63/49/371706349.db2.gz RQCVYJBRWLBBSN-UHFFFAOYSA-N -1 3 272.707 3.475 20 0 CGADHM O=C([N-]OC1CCCC1)Nc1cccc(F)c1Cl ZINC000287792513 371706355 /nfs/dbraw/zinc/70/63/55/371706355.db2.gz RQCVYJBRWLBBSN-UHFFFAOYSA-N -1 3 272.707 3.475 20 0 CGADHM CC[C@@H](c1ccc(F)cc1F)N(C)C[C@@H](C)C(=O)[O-] ZINC000422599363 371751894 /nfs/dbraw/zinc/75/18/94/371751894.db2.gz YKABPBIZYSIPTE-RNCFNFMXSA-N -1 3 271.307 3.068 20 0 CGADHM Cc1cccc([C@H](C)C[N-]S(=O)(=O)c2cccs2)c1 ZINC000153446022 371769808 /nfs/dbraw/zinc/76/98/08/371769808.db2.gz LDAZTYHNFTUPTD-GFCCVEGCSA-N -1 3 295.429 3.139 20 0 CGADHM COc1ccc(F)cc1C(=O)[N-]c1c(C)noc1C1CC1 ZINC000154146297 371820009 /nfs/dbraw/zinc/82/00/09/371820009.db2.gz YNRUAIABWDNHHA-UHFFFAOYSA-N -1 3 290.294 3.260 20 0 CGADHM Cc1conc1[N-]C(=O)c1c(F)cccc1Cl ZINC000154558265 371854805 /nfs/dbraw/zinc/85/48/05/371854805.db2.gz UGMIWXUROXLTCM-UHFFFAOYSA-N -1 3 254.648 3.028 20 0 CGADHM CN(Cc1cccnc1)Cc1cc([O-])cc(C(F)(F)F)c1 ZINC000290840333 372062743 /nfs/dbraw/zinc/06/27/43/372062743.db2.gz IRWJKNFJVKTSPJ-UHFFFAOYSA-N -1 3 296.292 3.438 20 0 CGADHM CC(C)CO[N-]C(=O)Nc1ccc(OC(F)F)c(F)c1 ZINC000159240829 372121442 /nfs/dbraw/zinc/12/14/42/372121442.db2.gz VLHUDZHTBRCJHG-UHFFFAOYSA-N -1 3 292.257 3.136 20 0 CGADHM O=C([N-]OCC1CC1)Nc1ccc(N2CCCCC2)cc1 ZINC000292663662 372199079 /nfs/dbraw/zinc/19/90/79/372199079.db2.gz CVAKBLNIUOAPHK-UHFFFAOYSA-N -1 3 289.379 3.140 20 0 CGADHM CCc1cc(C(=O)NC[C@@H]2CCC(F)(F)C2)ccc1[O-] ZINC000292973910 372264823 /nfs/dbraw/zinc/26/48/23/372264823.db2.gz RBBCSXXLMDZZOE-SNVBAGLBSA-N -1 3 283.318 3.120 20 0 CGADHM Cc1cc2cc(CNCc3cnc(C)[n-]c3=O)oc2cc1C ZINC000344321303 217147436 /nfs/dbraw/zinc/14/74/36/217147436.db2.gz FHNUZQOZYCQVED-UHFFFAOYSA-N -1 3 297.358 3.143 20 0 CGADHM Cc1ccc([O-])c(CNC(C)(C)c2ccccc2C)n1 ZINC000293207761 372326484 /nfs/dbraw/zinc/32/64/84/372326484.db2.gz YCFNXYLLIRYEQD-UHFFFAOYSA-N -1 3 270.376 3.429 20 0 CGADHM Cc1cc(CN(C)CC2CCCCC2)oc1C(=O)[O-] ZINC000049012625 541875253 /nfs/dbraw/zinc/87/52/53/541875253.db2.gz KTIRNRVPJNNNJY-UHFFFAOYSA-N -1 3 265.353 3.298 20 0 CGADHM CCC(CC)c1nnc([N-]C(=O)c2cccc(F)n2)s1 ZINC000162154765 372377893 /nfs/dbraw/zinc/37/78/93/372377893.db2.gz NVOVKWOQGGMFCZ-UHFFFAOYSA-N -1 3 294.355 3.228 20 0 CGADHM CN(Cc1cccc([O-])c1Cl)C[C@H]1CCCC[C@H]1O ZINC000293640246 372432827 /nfs/dbraw/zinc/43/28/27/372432827.db2.gz NVGCMPGBAZLRJJ-DGCLKSJQSA-N -1 3 283.799 3.029 20 0 CGADHM O=C([N-][C@H]1CCCc2sc(Cl)cc21)C(F)F ZINC000293692728 372451551 /nfs/dbraw/zinc/45/15/51/372451551.db2.gz MMHDUJQVXZZUAI-LURJTMIESA-N -1 3 265.712 3.160 20 0 CGADHM CC[C@@H](C)CN(C)C(=O)c1c[n-]c2c(C)cccc2c1=O ZINC000163430579 372469635 /nfs/dbraw/zinc/46/96/35/372469635.db2.gz HWVRHBNOMDWZTE-LLVKDONJSA-N -1 3 286.375 3.367 20 0 CGADHM C[C@H]1CCN(C(=O)c2c[n-]c3ccccc3c2=O)C[C@@H](C)C1 ZINC000163427253 372469700 /nfs/dbraw/zinc/46/97/00/372469700.db2.gz FIYGVAHMRJAHLP-STQMWFEESA-N -1 3 298.386 3.036 20 0 CGADHM CCN(C(=O)NCc1ccc([O-])c(F)c1)C1CCCCC1 ZINC000163674655 372488568 /nfs/dbraw/zinc/48/85/68/372488568.db2.gz NFONBVKREKMMIU-UHFFFAOYSA-N -1 3 294.370 3.396 20 0 CGADHM CCC(CC)CN(CC)C(=O)NCc1ccc([O-])c(F)c1 ZINC000163737133 372489940 /nfs/dbraw/zinc/48/99/40/372489940.db2.gz LKBDCDKLHFXVOU-UHFFFAOYSA-N -1 3 296.386 3.499 20 0 CGADHM CC[C@H](C)N(C)C(=O)c1c[n-]c2c(C)cccc2c1=O ZINC000164597444 372525894 /nfs/dbraw/zinc/52/58/94/372525894.db2.gz NAMAWGZUAMTSCP-NSHDSACASA-N -1 3 272.348 3.119 20 0 CGADHM O=C(Nc1ccc2nccnc2c1)c1cc([O-])ccc1Cl ZINC000433316150 372590663 /nfs/dbraw/zinc/59/06/63/372590663.db2.gz DSQFASFRCXQHEI-UHFFFAOYSA-N -1 3 299.717 3.241 20 0 CGADHM CCC(CC)(CC)[N-]S(=O)(=O)c1sc(C)nc1C ZINC000433837390 372637223 /nfs/dbraw/zinc/63/72/23/372637223.db2.gz SUATWNUAJNZFRS-UHFFFAOYSA-N -1 3 290.454 3.007 20 0 CGADHM C[C@@H](c1ccco1)N(C)Cc1c(F)ccc([O-])c1F ZINC000295262140 372721017 /nfs/dbraw/zinc/72/10/17/372721017.db2.gz GYDVSQXIVCGAJF-VIFPVBQESA-N -1 3 267.275 3.456 20 0 CGADHM COc1ccc([C@H](C)NC(=O)c2cccc([O-])c2)cc1F ZINC000171105832 372712727 /nfs/dbraw/zinc/71/27/27/372712727.db2.gz IVDRCQQMEQUGAV-JTQLQIEISA-N -1 3 289.306 3.031 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)CSC2CC2)c1[O-] ZINC000295243298 372716310 /nfs/dbraw/zinc/71/63/10/372716310.db2.gz LVXVNTVOIGKBAE-UHFFFAOYSA-N -1 3 271.769 3.188 20 0 CGADHM CC[C@@H]1C[C@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000435620255 372786111 /nfs/dbraw/zinc/78/61/11/372786111.db2.gz AOTKWHWSASHWNE-GMSGAONNSA-N -1 3 294.203 3.070 20 0 CGADHM CC(C)O[N-]C(=O)CCCc1ccccc1Cl ZINC000295532738 372817677 /nfs/dbraw/zinc/81/76/77/372817677.db2.gz JSQQSJOMGGCUAV-UHFFFAOYSA-N -1 3 255.745 3.119 20 0 CGADHM O=C(Nc1cccc([O-])c1F)[C@@H]1C[C@@]12CCc1ccccc12 ZINC000335773841 284352071 /nfs/dbraw/zinc/35/20/71/284352071.db2.gz DJACVHDBNRVHQU-SCLBCKFNSA-N -1 3 297.329 3.374 20 0 CGADHM CCCc1cc(=O)[n-]c(C(=Cc2conc2C)CC)n1 ZINC000295901592 372952138 /nfs/dbraw/zinc/95/21/38/372952138.db2.gz LKJRXNBYMJQGLQ-XFFZJAGNSA-N -1 3 273.336 3.382 20 0 CGADHM Cc1cccc(C(=O)N2CC3(CC3)c3ccccc32)c1[O-] ZINC000172432860 372963158 /nfs/dbraw/zinc/96/31/58/372963158.db2.gz KNHYDGOLRZRQDO-UHFFFAOYSA-N -1 3 279.339 3.393 20 0 CGADHM C[C@H]1CC(NC(=O)NCc2ccc([O-])c(F)c2)C[C@@H](C)C1 ZINC000172494517 372976856 /nfs/dbraw/zinc/97/68/56/372976856.db2.gz OLWOGSATSYVPRJ-QYJAPNMZSA-N -1 3 294.370 3.155 20 0 CGADHM COc1csc(C(=O)[N-]c2c(C)noc2C2CC2)c1 ZINC000156749066 321785829 /nfs/dbraw/zinc/78/58/29/321785829.db2.gz UOQQBKQIZMMGKB-UHFFFAOYSA-N -1 3 278.333 3.183 20 0 CGADHM COc1cc(C(=O)NCC[C@@H]2CCC[C@@H](C)C2)ccc1[O-] ZINC000442976801 373138007 /nfs/dbraw/zinc/13/80/07/373138007.db2.gz ULJOZLSADYMHRB-OLZOCXBDSA-N -1 3 291.391 3.347 20 0 CGADHM Cc1cc(C(=O)N(C)Cc2ccc(F)c(C)c2)ccc1[O-] ZINC000444448363 373190689 /nfs/dbraw/zinc/19/06/89/373190689.db2.gz WYAOQDYDNWFWKA-UHFFFAOYSA-N -1 3 287.334 3.420 20 0 CGADHM CC[C@@]1(C)CCCN(C(=O)c2cc(OC)ccc2[O-])C1 ZINC000174751681 373361516 /nfs/dbraw/zinc/36/15/16/373361516.db2.gz PCSCQVCWICJDTA-INIZCTEOSA-N -1 3 277.364 3.053 20 0 CGADHM Cc1cc(C)c(C(=O)[N-]c2nnc(C(F)(F)F)s2)o1 ZINC000175495604 373475210 /nfs/dbraw/zinc/47/52/10/373475210.db2.gz LSBHZFGSGDOYBG-UHFFFAOYSA-N -1 3 291.254 3.019 20 0 CGADHM C[C@H]1[C@H](c2ccccc2)CCN1C(=O)c1ccccc1[O-] ZINC000175764000 373516351 /nfs/dbraw/zinc/51/63/51/373516351.db2.gz FPKRXXFUKPXOEY-DZGCQCFKSA-N -1 3 281.355 3.410 20 0 CGADHM Cc1cnc(C(C)(C)NC(=O)c2ccc(C)cc2[O-])s1 ZINC000176856148 373637117 /nfs/dbraw/zinc/63/71/17/373637117.db2.gz PUUOBRXKTIAQDA-UHFFFAOYSA-N -1 3 290.388 3.131 20 0 CGADHM [O-]c1cccc(CN2CCSC[C@H]2C2CC2)c1Cl ZINC000449525876 373823526 /nfs/dbraw/zinc/82/35/26/373823526.db2.gz CHLNBDUNZBGIFQ-LBPRGKRZSA-N -1 3 283.824 3.373 20 0 CGADHM Cc1cccc([O-])c1NC(=O)c1ccn(-c2ccccc2)n1 ZINC000179543456 373885478 /nfs/dbraw/zinc/88/54/78/373885478.db2.gz RUDXUOZUBPNFFF-UHFFFAOYSA-N -1 3 293.326 3.139 20 0 CGADHM Cc1ccc([O-])c(CN(C)Cc2ccc(C)c(C)c2)n1 ZINC000449762354 373892933 /nfs/dbraw/zinc/89/29/33/373892933.db2.gz HMPITAHHVVAJSH-UHFFFAOYSA-N -1 3 270.376 3.344 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])c1ccc(F)c(F)c1 ZINC000179648538 373897600 /nfs/dbraw/zinc/89/76/00/373897600.db2.gz DEUNMVBABZBTRT-UHFFFAOYSA-N -1 3 267.206 3.062 20 0 CGADHM CC[C@H]1CCC[C@H](NC(=O)Cc2ccc([O-])c(F)c2)C1 ZINC000449924791 373974848 /nfs/dbraw/zinc/97/48/48/373974848.db2.gz RBUSBWWKSAKAIH-AAEUAGOBSA-N -1 3 279.355 3.159 20 0 CGADHM CCO[C@H](C(=O)Nc1ccc([O-])cc1F)c1ccccc1 ZINC000180855927 374052846 /nfs/dbraw/zinc/05/28/46/374052846.db2.gz YKJLAJLIMVEEOV-HNNXBMFYSA-N -1 3 289.306 3.248 20 0 CGADHM O=C([O-])[C@H]1CC[C@H](CNCc2ccsc2Cl)CC1 ZINC000308362803 374164165 /nfs/dbraw/zinc/16/41/65/374164165.db2.gz ZLUBBDSYHBTSRW-MGCOHNPYSA-N -1 3 287.812 3.382 20 0 CGADHM Cc1ccoc1C(=O)[N-]c1nc(-c2cccs2)ns1 ZINC000182144462 374226145 /nfs/dbraw/zinc/22/61/45/374226145.db2.gz CJLAEKMPLWBUSN-UHFFFAOYSA-N -1 3 291.357 3.420 20 0 CGADHM Cc1nc(C)c(CNC(=O)c2cc([O-])ccc2Cl)s1 ZINC000311825274 374257648 /nfs/dbraw/zinc/25/76/48/374257648.db2.gz FIJZYORLFQZLKJ-UHFFFAOYSA-N -1 3 296.779 3.049 20 0 CGADHM C[C@@H]1CCC[C@H](C)N1C(=O)Cc1ccc([O-])cc1Cl ZINC000182378335 374265310 /nfs/dbraw/zinc/26/53/10/374265310.db2.gz AZLJXMQUHOEMSB-PHIMTYICSA-N -1 3 281.783 3.378 20 0 CGADHM O=C(c1cccc([O-])c1)N1CCC[C@]2(CC=CCC2)C1 ZINC000182449145 374273818 /nfs/dbraw/zinc/27/38/18/374273818.db2.gz MRBHDGQMYYHNQI-QGZVFWFLSA-N -1 3 271.360 3.355 20 0 CGADHM CCOc1cccc([C@H](C)NC(=O)c2cccc([O-])c2)c1 ZINC000182250593 374245681 /nfs/dbraw/zinc/24/56/81/374245681.db2.gz TVRCSZYRONPYKK-LBPRGKRZSA-N -1 3 285.343 3.282 20 0 CGADHM CC[C@@H](NC(=O)CCCc1ccc([O-])c(F)c1)C(F)F ZINC000452264325 374303145 /nfs/dbraw/zinc/30/31/45/374303145.db2.gz MJNZPFKEHYCKNJ-LLVKDONJSA-N -1 3 289.297 3.014 20 0 CGADHM COc1cccc(F)c1[C@@H](C)NC(=O)c1cccc([O-])c1 ZINC000182512841 374283496 /nfs/dbraw/zinc/28/34/96/374283496.db2.gz LFMJIQBHCAAQLJ-SNVBAGLBSA-N -1 3 289.306 3.031 20 0 CGADHM Cc1cccc(C)c1CC(=O)Nc1c(C)cccc1[O-] ZINC000183038244 374360039 /nfs/dbraw/zinc/36/00/39/374360039.db2.gz DSIBIVCMVJTTNH-UHFFFAOYSA-N -1 3 269.344 3.499 20 0 CGADHM O=C(c1cccc([O-])c1)N1CCc2c([nH]c3ccccc32)C1 ZINC000182942741 374348162 /nfs/dbraw/zinc/34/81/62/374348162.db2.gz HVVGTGSCYVDLLC-UHFFFAOYSA-N -1 3 292.338 3.072 20 0 CGADHM O=C([O-])[C@H]1CCCN([C@@H]2CCc3c2cccc3Cl)C1 ZINC000263581421 304183763 /nfs/dbraw/zinc/18/37/63/304183763.db2.gz XDLRZLILCGYTHZ-IINYFYTJSA-N -1 3 279.767 3.124 20 0 CGADHM O=[S@](Cc1coc(-c2ccccc2)n1)c1cccc([O-])c1 ZINC000184065042 374487933 /nfs/dbraw/zinc/48/79/33/374487933.db2.gz GMRRHDPFMMRVMW-OAQYLSRUSA-N -1 3 299.351 3.355 20 0 CGADHM CC[C@@H](CC1CCCCC1)C(=O)NCc1ncccc1[O-] ZINC000331021774 374497333 /nfs/dbraw/zinc/49/73/33/374497333.db2.gz PQQXSFVNRBUVGI-AWEZNQCLSA-N -1 3 290.407 3.400 20 0 CGADHM Cc1cc(C(=O)N2C[C@H](C)C[C@H]2c2cccnc2)ccc1[O-] ZINC000334187361 206164601 /nfs/dbraw/zinc/16/46/01/206164601.db2.gz FWOCFBYRWZECLX-WBMJQRKESA-N -1 3 296.370 3.319 20 0 CGADHM O=C(c1ccc2c(c1[O-])CCCC2)N1CCCCCC1 ZINC000184779970 374558497 /nfs/dbraw/zinc/55/84/97/374558497.db2.gz ZLDZMAZSERFTKN-UHFFFAOYSA-N -1 3 273.376 3.287 20 0 CGADHM CC1CCN(C(=O)c2ccc3c(c2[O-])CCCC3)CC1 ZINC000184793243 374560864 /nfs/dbraw/zinc/56/08/64/374560864.db2.gz OWQSVDCTEJPTEC-UHFFFAOYSA-N -1 3 273.376 3.143 20 0 CGADHM CC(C)[C@@]1(C)C[C@@H]1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000458133598 374701191 /nfs/dbraw/zinc/70/11/91/374701191.db2.gz PKKUGALLUWELQJ-DOTOQJQBSA-N -1 3 293.382 3.405 20 0 CGADHM CC(=O)c1cc(F)c([N-]C(=O)c2ccco2)c(F)c1 ZINC000334354589 374680324 /nfs/dbraw/zinc/68/03/24/374680324.db2.gz ZTXMDBCUILHGHB-UHFFFAOYSA-N -1 3 265.215 3.013 20 0 CGADHM Cc1cnc(C(C)(C)NCc2cc([O-])cc(F)c2)s1 ZINC000185567693 374690087 /nfs/dbraw/zinc/69/00/87/374690087.db2.gz LVJSLMYGKKNZSM-UHFFFAOYSA-N -1 3 280.368 3.321 20 0 CGADHM CCc1nc([N-]C(=O)c2csnn2)sc1C(C)(C)C ZINC000458271974 374744439 /nfs/dbraw/zinc/74/44/39/374744439.db2.gz JYQBRLRXUPXTDY-UHFFFAOYSA-N -1 3 296.421 3.107 20 0 CGADHM O=C(c1cccc([O-])c1)N1C[C@H]2CCC(=O)c3cccc1c32 ZINC000185822873 374744603 /nfs/dbraw/zinc/74/46/03/374744603.db2.gz GEHBWSDSUOWHOW-GFCCVEGCSA-N -1 3 293.322 3.113 20 0 CGADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000458300363 374753542 /nfs/dbraw/zinc/75/35/42/374753542.db2.gz OPDPORJNYOHYCV-VNHYZAJKSA-N -1 3 291.366 3.159 20 0 CGADHM Cc1ncc(C(=O)Nc2ccc([O-])cc2F)c(C(C)C)n1 ZINC000186284662 374826666 /nfs/dbraw/zinc/82/66/66/374826666.db2.gz ZACOYCJUVVMSKT-UHFFFAOYSA-N -1 3 289.310 3.005 20 0 CGADHM Cc1ccncc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000334532353 374828534 /nfs/dbraw/zinc/82/85/34/374828534.db2.gz AXRIIXGTSYXOLV-UHFFFAOYSA-N -1 3 262.696 3.001 20 0 CGADHM CC(C)[C@]1(C)C[C@@H]1C(=O)Nc1cc(F)ccc1[O-] ZINC000186563492 374877194 /nfs/dbraw/zinc/87/71/94/374877194.db2.gz IIPXBVWRTXMSRF-YGRLFVJLSA-N -1 3 251.301 3.152 20 0 CGADHM CCSCc1cc(C(=O)[N-]c2ncccc2Cl)no1 ZINC000186672379 374897636 /nfs/dbraw/zinc/89/76/36/374897636.db2.gz DFNJGZCBQCVAAT-UHFFFAOYSA-N -1 3 297.767 3.228 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CCCC[C@H](C)C2)c1 ZINC000186437163 374850433 /nfs/dbraw/zinc/85/04/33/374850433.db2.gz WPIZCQZCQWQXOW-LBPRGKRZSA-N -1 3 261.365 3.217 20 0 CGADHM CC[C@@H](C)NC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000186903856 374936484 /nfs/dbraw/zinc/93/64/84/374936484.db2.gz QMRCVYAKZQNPDX-GFCCVEGCSA-N -1 3 297.354 3.152 20 0 CGADHM Cc1cc(C(=O)Nc2cc(Cl)ccc2[O-])nn1C(C)C ZINC000334680830 374970218 /nfs/dbraw/zinc/97/02/18/374970218.db2.gz GQXYEGUJOHOBNA-UHFFFAOYSA-N -1 3 293.754 3.384 20 0 CGADHM CCCCNC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000186956042 374944863 /nfs/dbraw/zinc/94/48/63/374944863.db2.gz KVOVWTXHBGSHQT-UHFFFAOYSA-N -1 3 297.354 3.153 20 0 CGADHM C[C@H](c1cccc(Cl)c1)N(C)C(=O)c1csc(=O)[n-]1 ZINC000334622240 374914312 /nfs/dbraw/zinc/91/43/12/374914312.db2.gz WKGIBAWMLNCVNU-MRVPVSSYSA-N -1 3 296.779 3.335 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2cccc3ccn(C)c32)c1 ZINC000472826829 375034987 /nfs/dbraw/zinc/03/49/87/375034987.db2.gz FGZPFDFKBNPOPR-UHFFFAOYSA-N -1 3 280.327 3.445 20 0 CGADHM CCc1ccc(C(=O)N2CCC[C@@H]3CCC[C@H]32)c([O-])c1 ZINC000187846766 375105801 /nfs/dbraw/zinc/10/58/01/375105801.db2.gz UWCRBSQDIFXFHD-DZGCQCFKSA-N -1 3 273.376 3.359 20 0 CGADHM O=C(Nc1cccc([O-])c1F)c1ccc2c(n1)CCCC2 ZINC000335070414 375106987 /nfs/dbraw/zinc/10/69/87/375106987.db2.gz QUTNMRYSMUDGFE-UHFFFAOYSA-N -1 3 286.306 3.057 20 0 CGADHM O=S(=O)([N-]c1ccc(Cl)cc1Cl)c1ccoc1 ZINC000335072990 375107874 /nfs/dbraw/zinc/10/78/74/375107874.db2.gz LSEFGQNYMHOZHF-UHFFFAOYSA-N -1 3 292.143 3.387 20 0 CGADHM CC[C@@H](Sc1ncc(C(=O)OC)[n-]1)c1ccccc1 ZINC000187595887 375051806 /nfs/dbraw/zinc/05/18/06/375051806.db2.gz ULJUKBQWOKOHIM-GFCCVEGCSA-N -1 3 276.361 3.440 20 0 CGADHM COC(=O)c1cnc(SCc2c(C)cc(C)cc2C)[n-]1 ZINC000187598765 375051943 /nfs/dbraw/zinc/05/19/43/375051943.db2.gz FHYLGWJNMLYDEF-UHFFFAOYSA-N -1 3 290.388 3.414 20 0 CGADHM Cc1coc2ccc(NC([O-])=NO[C@@H]3CCCCO3)cc12 ZINC000187946694 375123700 /nfs/dbraw/zinc/12/37/00/375123700.db2.gz ZUSIRZHUSFWTFO-CQSZACIVSA-N -1 3 290.319 3.321 20 0 CGADHM Cc1coc2ccc(NC(=O)[N-]O[C@@H]3CCCCO3)cc12 ZINC000187946694 375123708 /nfs/dbraw/zinc/12/37/08/375123708.db2.gz ZUSIRZHUSFWTFO-CQSZACIVSA-N -1 3 290.319 3.321 20 0 CGADHM CCOC(=O)c1ccc(NC(=O)C2=CCCCC2)c([O-])c1 ZINC000188647308 375246233 /nfs/dbraw/zinc/24/62/33/375246233.db2.gz ZHEROZVPFQKYON-UHFFFAOYSA-N -1 3 289.331 3.008 20 0 CGADHM [O-]c1ccccc1-c1nc(COc2ccccc2F)no1 ZINC000188333930 375198469 /nfs/dbraw/zinc/19/84/69/375198469.db2.gz DQOYFNPVUSNGAQ-UHFFFAOYSA-N -1 3 286.262 3.160 20 0 CGADHM COC[C@H](C)[C@H](C)C(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000487206210 375206843 /nfs/dbraw/zinc/20/68/43/375206843.db2.gz ZKZNPJIJNRYSFG-AVGNSLFASA-N -1 3 291.391 3.151 20 0 CGADHM CC(C)n1cc(C(=O)Nc2cc(Cl)ccc2[O-])cn1 ZINC000188493423 375223816 /nfs/dbraw/zinc/22/38/16/375223816.db2.gz STQUOJKUVIWNQT-UHFFFAOYSA-N -1 3 279.727 3.075 20 0 CGADHM CCc1cc(C(=O)N2C[C@H](C)C[C@@H](C)[C@H]2C)ccc1[O-] ZINC000487306474 375224449 /nfs/dbraw/zinc/22/44/49/375224449.db2.gz FFOBYJYUEIWKIT-JHJVBQTASA-N -1 3 275.392 3.461 20 0 CGADHM COC(=O)CCCCC(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000188964329 375302430 /nfs/dbraw/zinc/30/24/30/375302430.db2.gz WQHBUVUAUWPNLM-UHFFFAOYSA-N -1 3 299.754 3.026 20 0 CGADHM CCc1ccc(C(=O)N(Cc2cccnc2)C2CC2)c([O-])c1 ZINC000189078784 375320567 /nfs/dbraw/zinc/32/05/67/375320567.db2.gz YVQPOKMCZBHLJF-UHFFFAOYSA-N -1 3 296.370 3.154 20 0 CGADHM C[C@@H](C(=O)Nc1cc(Cl)ccc1[O-])c1ncccc1F ZINC000335689309 375348739 /nfs/dbraw/zinc/34/87/39/375348739.db2.gz RCBKTBMLICMFMK-MRVPVSSYSA-N -1 3 294.713 3.322 20 0 CGADHM CCCCOc1ccc(C(=O)N2CCC[C@@H](C)C2)c([O-])c1 ZINC000189993552 375466422 /nfs/dbraw/zinc/46/64/22/375466422.db2.gz LTPAEYZNVKSLSQ-CYBMUJFWSA-N -1 3 291.391 3.443 20 0 CGADHM CCC1(CC)CCCN(C(=O)c2csc(=O)[n-]2)CC1 ZINC000335766021 375411800 /nfs/dbraw/zinc/41/18/00/375411800.db2.gz DUSVDRXYAVMQNG-UHFFFAOYSA-N -1 3 282.409 3.281 20 0 CGADHM Cc1ccn(C)c1C(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000190780946 375538080 /nfs/dbraw/zinc/53/80/80/375538080.db2.gz ABLYTNOOZWQHLS-LLVKDONJSA-N -1 3 284.359 3.193 20 0 CGADHM CCCCOc1ccc(C(=O)N(C)CCC)c([O-])c1 ZINC000190226522 375487192 /nfs/dbraw/zinc/48/71/92/375487192.db2.gz KLUNUZAVZJWYAT-UHFFFAOYSA-N -1 3 265.353 3.053 20 0 CGADHM CC(=O)c1cc(F)c([N-]C(=O)c2csnc2C)c(F)c1 ZINC000335887290 375514601 /nfs/dbraw/zinc/51/46/01/375514601.db2.gz ISNMKTSNPKKZAL-UHFFFAOYSA-N -1 3 296.298 3.185 20 0 CGADHM CCCCOc1ccc(C(=O)N2CC[C@@H](C)[C@@H]2C)c([O-])c1 ZINC000190579821 375522507 /nfs/dbraw/zinc/52/25/07/375522507.db2.gz ZPGOHDBCHTYQPO-OLZOCXBDSA-N -1 3 291.391 3.442 20 0 CGADHM Cc1ccc(CC[S@](=O)c2ccc([O-])cc2)cc1 ZINC000191181612 375590647 /nfs/dbraw/zinc/59/06/47/375590647.db2.gz LTAXDYRXSKTOGP-SFHVURJKSA-N -1 3 260.358 3.051 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])c1ccoc1C(F)(F)F ZINC000336017275 375622076 /nfs/dbraw/zinc/62/20/76/375622076.db2.gz SWKLWEFVTNVGHB-UHFFFAOYSA-N -1 3 289.184 3.395 20 0 CGADHM COc1cc(F)c([N-]C(=O)c2sccc2F)cc1F ZINC000336021958 375626308 /nfs/dbraw/zinc/62/63/08/375626308.db2.gz APHDCHKUYCSOSK-UHFFFAOYSA-N -1 3 287.262 3.426 20 0 CGADHM O=C([N-]c1ccncc1F)c1ncoc1-c1ccccc1 ZINC000122673049 542023821 /nfs/dbraw/zinc/02/38/21/542023821.db2.gz JNIXWKJZLCTDGZ-UHFFFAOYSA-N -1 3 283.262 3.128 20 0 CGADHM CCc1onc(C)c1[N-]C(=O)c1ccoc1Cl ZINC000192348227 375736817 /nfs/dbraw/zinc/73/68/17/375736817.db2.gz AZOWDSRPKCXIAB-UHFFFAOYSA-N -1 3 254.673 3.044 20 0 CGADHM O=C(Cc1ccc([O-])cc1Cl)NCC1CCCCC1 ZINC000508539491 375749316 /nfs/dbraw/zinc/74/93/16/375749316.db2.gz WYTGHENEBUAKIZ-UHFFFAOYSA-N -1 3 281.783 3.285 20 0 CGADHM CC(C)[C@@H]1CCCN(C(=O)c2c[n-]c3ccccc3c2=O)C1 ZINC000336177439 375750097 /nfs/dbraw/zinc/75/00/97/375750097.db2.gz AVFKWVIORLORHY-CYBMUJFWSA-N -1 3 298.386 3.036 20 0 CGADHM Cc1cc(C(=O)N2CCCc3cccc([O-])c32)nn1C(C)C ZINC000336192294 375756434 /nfs/dbraw/zinc/75/64/34/375756434.db2.gz CHQFEMKAHBNICP-UHFFFAOYSA-N -1 3 299.374 3.071 20 0 CGADHM Cc1ccc([O-])c(NC(=O)C[C@H](C)CC(C)C)n1 ZINC000345920595 217749229 /nfs/dbraw/zinc/74/92/29/217749229.db2.gz CQDLKJHWFRRBEO-SNVBAGLBSA-N -1 3 250.342 3.106 20 0 CGADHM C[C@@H](OCc1ccccc1)C(=O)Nc1cccc([O-])c1F ZINC000129081975 542054183 /nfs/dbraw/zinc/05/41/83/542054183.db2.gz ACHWFDVYBAHHTI-LLVKDONJSA-N -1 3 289.306 3.075 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-]c2c(C)cccc2Cl)cn1 ZINC000336549311 375825229 /nfs/dbraw/zinc/82/52/29/375825229.db2.gz UDUNAUOXMJYTJF-UHFFFAOYSA-N -1 3 296.779 3.153 20 0 CGADHM Cc1ccc(CCNC(=O)c2cc3c(cc2[O-])CCCC3)o1 ZINC000520483099 375857801 /nfs/dbraw/zinc/85/78/01/375857801.db2.gz QOEHGFYLJGSKRC-UHFFFAOYSA-N -1 3 299.370 3.145 20 0 CGADHM O=C([N-]c1nnc(C(F)F)s1)c1ccoc1C1CC1 ZINC000336887437 376019666 /nfs/dbraw/zinc/01/96/66/376019666.db2.gz HCRTUFLKCAFHHZ-UHFFFAOYSA-N -1 3 285.275 3.198 20 0 CGADHM Cc1ccc(-c2cc(C(=O)Nc3ccc(F)cc3)n[n-]2)o1 ZINC000195601382 376114163 /nfs/dbraw/zinc/11/41/63/376114163.db2.gz PUJVCGUCOMCLMV-UHFFFAOYSA-N -1 3 285.278 3.370 20 0 CGADHM Cc1ccc(-c2cc(C(=O)Nc3ccc(F)cc3)[n-]n2)o1 ZINC000195601382 376114167 /nfs/dbraw/zinc/11/41/67/376114167.db2.gz PUJVCGUCOMCLMV-UHFFFAOYSA-N -1 3 285.278 3.370 20 0 CGADHM C[C@@H](CCNC(=O)c1ccc(O)cc1[O-])c1ccccc1 ZINC000226295633 376349972 /nfs/dbraw/zinc/34/99/72/376349972.db2.gz ICJWPNNKZVMZEP-LBPRGKRZSA-N -1 3 285.343 3.021 20 0 CGADHM CCCC[C@@H](CCC)[N-]S(=O)(=O)c1ccc(C)o1 ZINC000539116879 376294900 /nfs/dbraw/zinc/29/49/00/376294900.db2.gz JITIZSCJPGGNTQ-GFCCVEGCSA-N -1 3 273.398 3.225 20 0 CGADHM CCn1c(=O)[n-]nc1SC[C@@H](C)C1CCCCC1 ZINC000338523797 376409167 /nfs/dbraw/zinc/40/91/67/376409167.db2.gz ATGHFRHGLJABBE-SNVBAGLBSA-N -1 3 269.414 3.312 20 0 CGADHM CCCCn1c(=O)[n-]nc1SCc1ccc(CC)cn1 ZINC000338525282 376410903 /nfs/dbraw/zinc/41/09/03/376410903.db2.gz KEKOJBQPHGNQMW-UHFFFAOYSA-N -1 3 292.408 3.034 20 0 CGADHM CCc1ccccc1[C@H]1C[C@@H]1C(=O)Nc1ncccc1[O-] ZINC000338543098 376417650 /nfs/dbraw/zinc/41/76/50/376417650.db2.gz WOYJXONLLIYOIO-KGLIPLIRSA-N -1 3 282.343 3.092 20 0 CGADHM Cc1cc([C@H](C)NC(=O)c2ccc([O-])c(C)c2)c(C)o1 ZINC000226717353 376370180 /nfs/dbraw/zinc/37/01/80/376370180.db2.gz ODBSDXMHAGCZAT-NSHDSACASA-N -1 3 273.332 3.401 20 0 CGADHM Cc1cc(C(=O)N2CCSC(C)(C)CC2)ccc1[O-] ZINC000228670936 376445896 /nfs/dbraw/zinc/44/58/96/376445896.db2.gz YULBJERDXXKLAW-UHFFFAOYSA-N -1 3 279.405 3.058 20 0 CGADHM CC(C)C1(CNC(=O)c2cc([O-])ccc2Cl)CC1 ZINC000232646605 376585050 /nfs/dbraw/zinc/58/50/50/376585050.db2.gz WJWQILWWMHEKGU-UHFFFAOYSA-N -1 3 267.756 3.212 20 0 CGADHM CC(C)[C@]1(C(=O)[O-])CCN(Cc2cc(F)ccc2Cl)C1 ZINC000232748639 376587967 /nfs/dbraw/zinc/58/79/67/376587967.db2.gz HQQUIDCJTMWATE-HNNXBMFYSA-N -1 3 299.773 3.412 20 0 CGADHM CN(CCc1ccccc1)C(=O)c1cc([O-])ccc1Cl ZINC000234278764 376614593 /nfs/dbraw/zinc/61/45/93/376614593.db2.gz QERHSBJEIWXMNG-UHFFFAOYSA-N -1 3 289.762 3.360 20 0 CGADHM Cn1c(C(=O)Nc2ccc([O-])cc2F)cc2ccccc21 ZINC000543750409 376674491 /nfs/dbraw/zinc/67/44/91/376674491.db2.gz NEOPLAGJPODGFP-UHFFFAOYSA-N -1 3 284.290 3.275 20 0 CGADHM COc1ccc(NC(=O)c2cc(C)c(F)cc2F)c([O-])c1 ZINC000135408821 542087607 /nfs/dbraw/zinc/08/76/07/542087607.db2.gz SPXPXFCETMRIME-UHFFFAOYSA-N -1 3 293.269 3.240 20 0 CGADHM COc1ccc(NC(=O)c2ccc(F)cc2Cl)c([O-])c1 ZINC000135423046 542087932 /nfs/dbraw/zinc/08/79/32/542087932.db2.gz CMXSSUZAOGXMDB-UHFFFAOYSA-N -1 3 295.697 3.446 20 0 CGADHM CCNc1ncc(C(=O)Nc2ccc(Cl)cc2[O-])s1 ZINC000153550332 542112882 /nfs/dbraw/zinc/11/28/82/542112882.db2.gz GDAHNOLWTINSCW-UHFFFAOYSA-N -1 3 297.767 3.186 20 0 CGADHM O=S(=O)([N-]c1ccccc1-c1cccs1)C1CC1 ZINC000340077085 376911201 /nfs/dbraw/zinc/91/12/01/376911201.db2.gz QUVKCJOEVYXEAS-UHFFFAOYSA-N -1 3 279.386 3.319 20 0 CGADHM O=C(Nc1ccccc1[O-])c1cc(=O)[nH]c2ccc(F)cc21 ZINC000340101253 376915809 /nfs/dbraw/zinc/91/58/09/376915809.db2.gz BFJIPNLYILUYIG-UHFFFAOYSA-N -1 3 298.273 3.037 20 0 CGADHM O=C(COc1cccc(Cl)c1)Nc1cc(F)ccc1[O-] ZINC000340316624 376998886 /nfs/dbraw/zinc/99/88/86/376998886.db2.gz JXBCSDALPBADNY-UHFFFAOYSA-N -1 3 295.697 3.202 20 0 CGADHM O=C([O-])C1(NCc2ccc(-c3ccccc3)cc2F)CC1 ZINC000340687390 377218334 /nfs/dbraw/zinc/21/83/34/377218334.db2.gz ZCFKBZONTWJVTA-UHFFFAOYSA-N -1 3 285.318 3.200 20 0 CGADHM CCO[N-]C(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl ZINC000264821132 190136522 /nfs/dbraw/zinc/13/65/22/190136522.db2.gz XRNJBDULDKPQIT-RKDXNWHRSA-N -1 3 274.147 3.165 20 0 CGADHM O=C([O-])C[C@H]1CCCN(C/C=C\c2ccc(F)cc2)C1 ZINC000560927935 377199682 /nfs/dbraw/zinc/19/96/82/377199682.db2.gz SKWVEDFYQLQJIB-NPPUXFBVSA-N -1 3 277.339 3.026 20 0 CGADHM CC(C)(NCc1ccc(-c2c(F)cccc2F)o1)C(=O)[O-] ZINC000340674562 377206046 /nfs/dbraw/zinc/20/60/46/377206046.db2.gz XDHAWEPXKVAQQK-UHFFFAOYSA-N -1 3 295.285 3.178 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N2CCC[C@H](CC(C)C)C2)n1 ZINC000562503112 377319425 /nfs/dbraw/zinc/31/94/25/377319425.db2.gz ZUBPNDLLPLCKGM-UONOGXRCSA-N -1 3 277.412 3.310 20 0 CGADHM [O-]c1ccc(CNc2ncncc2-c2ccccc2)cc1F ZINC000340839352 377280889 /nfs/dbraw/zinc/28/08/89/377280889.db2.gz QFHBBVHXZCKXGA-UHFFFAOYSA-N -1 3 295.317 3.022 20 0 CGADHM Cc1cccc(C(=O)N2C[C@H](C)[C@@H]3CCCC[C@H]32)c1[O-] ZINC000248390022 377304497 /nfs/dbraw/zinc/30/44/97/377304497.db2.gz TTYWJQOIRHOZGI-KCQAQPDRSA-N -1 3 273.376 3.351 20 0 CGADHM CC(C)(C)CCCCC(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000341088179 377392682 /nfs/dbraw/zinc/39/26/82/377392682.db2.gz HINNUJSWQJYPOR-UHFFFAOYSA-N -1 3 292.305 3.369 20 0 CGADHM CC(C)(C)CCCCC(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000341088179 377392687 /nfs/dbraw/zinc/39/26/87/377392687.db2.gz HINNUJSWQJYPOR-UHFFFAOYSA-N -1 3 292.305 3.369 20 0 CGADHM COc1cccc(Cl)c1CN1CC[C@H](C)C[C@@H]1C(=O)[O-] ZINC000563289631 377437739 /nfs/dbraw/zinc/43/77/39/377437739.db2.gz MWSPGKAYGHZMFV-GXFFZTMASA-N -1 3 297.782 3.034 20 0 CGADHM CCc1nc(C(C)C)ccc1CN(C)[C@@H](C)CC(=O)[O-] ZINC000563453091 377470883 /nfs/dbraw/zinc/47/08/83/377470883.db2.gz DVDXRZHAVXHRJP-LBPRGKRZSA-N -1 3 278.396 3.062 20 0 CGADHM C[C@@H]1CCC[C@@H](NC(=O)c2cc(=O)c3ccccc3[n-]2)[C@H]1C ZINC000265058053 190155106 /nfs/dbraw/zinc/15/51/06/190155106.db2.gz MOYUUVLPXUIFEB-MBNYWOFBSA-N -1 3 298.386 3.495 20 0 CGADHM Cc1cccc(C(=O)Nc2cccc(-c3ncc[nH]3)c2)c1[O-] ZINC000094106209 249039139 /nfs/dbraw/zinc/03/91/39/249039139.db2.gz UJIIHRZMOQEBOT-UHFFFAOYSA-N -1 3 293.326 3.343 20 0 CGADHM COc1ccc([O-])c(C(=O)N(C)C2CCC(C)(C)CC2)c1 ZINC000094820052 249042057 /nfs/dbraw/zinc/04/20/57/249042057.db2.gz FBGXBXRNAAONAQ-UHFFFAOYSA-N -1 3 291.391 3.442 20 0 CGADHM C[C@@H](CC1CC1)NCc1cccc([O-])c1Br ZINC000314997044 249097798 /nfs/dbraw/zinc/09/77/98/249097798.db2.gz HGLSOPXWHVMDIB-VIFPVBQESA-N -1 3 284.197 3.433 20 0 CGADHM CC1(C)C[C@@H]1NCc1cccc([O-])c1Br ZINC000315023662 249098391 /nfs/dbraw/zinc/09/83/91/249098391.db2.gz LOHPJHZEQWAKHM-JTQLQIEISA-N -1 3 270.170 3.043 20 0 CGADHM COc1ccccc1Cc1noc(-c2cccc(C)c2[O-])n1 ZINC000315482723 249098905 /nfs/dbraw/zinc/09/89/05/249098905.db2.gz BEBJDGXLSOSXCC-UHFFFAOYSA-N -1 3 296.326 3.350 20 0 CGADHM CCc1oc(C(=O)[O-])cc1CN(C)[C@H](CC)CSC ZINC000515065264 249200506 /nfs/dbraw/zinc/20/05/06/249200506.db2.gz BAHGWOZMVVUOPJ-LLVKDONJSA-N -1 3 285.409 3.114 20 0 CGADHM CC(C)Cn1nccc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000518538462 249283134 /nfs/dbraw/zinc/28/31/34/249283134.db2.gz IDXIHOWBFVJRNI-UHFFFAOYSA-N -1 3 293.754 3.150 20 0 CGADHM O=S(=O)(CCC1CCCC1)[N-]c1ncccc1Cl ZINC000517855829 249272350 /nfs/dbraw/zinc/27/23/50/249272350.db2.gz YLSWTOKDFZDPIY-UHFFFAOYSA-N -1 3 288.800 3.057 20 0 CGADHM CCOc1ccccc1CN(C)CCCCCC(=O)[O-] ZINC000564337003 322028363 /nfs/dbraw/zinc/02/83/63/322028363.db2.gz JOAKUWMYNVCVRC-UHFFFAOYSA-N -1 3 279.380 3.162 20 0 CGADHM CC(C)(C)C[C@H]1CCCN1Cc1nc(C(=O)[O-])cs1 ZINC000575130264 377750819 /nfs/dbraw/zinc/75/08/19/377750819.db2.gz RLKZCMFJRAJGMB-SNVBAGLBSA-N -1 3 282.409 3.242 20 0 CGADHM CCc1cc(C(=O)N2CCC[C@H]3CCC[C@@H]32)ccc1[O-] ZINC000342752716 377773227 /nfs/dbraw/zinc/77/32/27/377773227.db2.gz LXHJNOKGHRUCAB-HIFRSBDPSA-N -1 3 273.376 3.359 20 0 CGADHM COc1cc(-c2ccccc2)ccc1CN(C)[C@@H](C)C(=O)[O-] ZINC000263411569 377934130 /nfs/dbraw/zinc/93/41/30/377934130.db2.gz LNITWRDLZBEXPL-ZDUSSCGKSA-N -1 3 299.370 3.267 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CCC[C@H]2C(C)(C)C)c1 ZINC000264232613 377967539 /nfs/dbraw/zinc/96/75/39/377967539.db2.gz CJXAFTNEKROXLC-AWEZNQCLSA-N -1 3 261.365 3.351 20 0 CGADHM COc1cccc(OC)c1SCc1ncccc1[O-] ZINC000578589389 378083367 /nfs/dbraw/zinc/08/33/67/378083367.db2.gz BKDGLOGOEXVFJM-UHFFFAOYSA-N -1 3 277.345 3.097 20 0 CGADHM CC(C)CN(CCC(=O)[O-])Cc1nc(C(C)(C)C)cs1 ZINC000578199542 378045536 /nfs/dbraw/zinc/04/55/36/378045536.db2.gz MBLFXIIXEMSFIM-UHFFFAOYSA-N -1 3 298.452 3.373 20 0 CGADHM CCCN(Cc1cc(C)c(C(=O)[O-])o1)C[C@H]1CCCCO1 ZINC000577957930 378026707 /nfs/dbraw/zinc/02/67/07/378026707.db2.gz NAEFQWAFBOOHBA-CYBMUJFWSA-N -1 3 295.379 3.067 20 0 CGADHM CC(C)(CNC(=O)N=c1cc2ccccn2[n-]1)C1=CCCC1 ZINC000579203184 378139196 /nfs/dbraw/zinc/13/91/96/378139196.db2.gz DRYGUXHLALMVHN-UHFFFAOYSA-N -1 3 298.390 3.014 20 0 CGADHM O=C(Nc1ccc(C2CCC2)cc1)c1cccc2nn[n-]c21 ZINC000579306786 378148756 /nfs/dbraw/zinc/14/87/56/378148756.db2.gz CRDCVRVGMHALNO-UHFFFAOYSA-N -1 3 292.342 3.478 20 0 CGADHM O=C(Nc1ccc(C2CCC2)cc1)c1cccc2[n-]nnc21 ZINC000579306786 378148761 /nfs/dbraw/zinc/14/87/61/378148761.db2.gz CRDCVRVGMHALNO-UHFFFAOYSA-N -1 3 292.342 3.478 20 0 CGADHM O=C(Nc1ccc(C2CCC2)cc1)c1cccc2n[n-]nc21 ZINC000579306786 378148765 /nfs/dbraw/zinc/14/87/65/378148765.db2.gz CRDCVRVGMHALNO-UHFFFAOYSA-N -1 3 292.342 3.478 20 0 CGADHM COc1cccc2c1n[n-]c2C(=O)Nc1cccc(C)c1 ZINC000345134736 378201585 /nfs/dbraw/zinc/20/15/85/378201585.db2.gz LZHYKCUYBVXIBK-UHFFFAOYSA-N -1 3 281.315 3.132 20 0 CGADHM COc1cccc2c(C(=O)Nc3cccc(C)c3)n[n-]c21 ZINC000345134736 378201596 /nfs/dbraw/zinc/20/15/96/378201596.db2.gz LZHYKCUYBVXIBK-UHFFFAOYSA-N -1 3 281.315 3.132 20 0 CGADHM CC[C@@H](NCc1ccc(F)c(Cl)c1Cl)C(=O)[O-] ZINC000579957279 378211125 /nfs/dbraw/zinc/21/11/25/378211125.db2.gz JCDIBXGKBNVQJP-MRVPVSSYSA-N -1 3 280.126 3.085 20 0 CGADHM Cc1csc2[nH]c(-c3cc([O-])cc(F)c3)nc(=O)c12 ZINC000345193611 378220177 /nfs/dbraw/zinc/22/01/77/378220177.db2.gz WUFYBPIKNIQAJA-UHFFFAOYSA-N -1 3 276.292 3.217 20 0 CGADHM CC(C)(C)C=Cc1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000579663054 378179440 /nfs/dbraw/zinc/17/94/40/378179440.db2.gz WIPOXMAWKMQYPK-SREVYHEPSA-N -1 3 269.308 3.067 20 0 CGADHM COc1ccc(Cl)cc1CN(C)[C@@H](CC(C)C)C(=O)[O-] ZINC000580897268 378266603 /nfs/dbraw/zinc/26/66/03/378266603.db2.gz IURLCVWHYKWUNB-ZDUSSCGKSA-N -1 3 299.798 3.280 20 0 CGADHM C[C@@]1(NCc2ncccc2[O-])CCCc2ccccc21 ZINC000580978510 378272670 /nfs/dbraw/zinc/27/26/70/378272670.db2.gz DCZLDRKOLYRBCH-QGZVFWFLSA-N -1 3 268.360 3.129 20 0 CGADHM C[C@H]1C[C@H](c2ccccc2)CN1c1ccncc1C(=O)[O-] ZINC000583755172 378344573 /nfs/dbraw/zinc/34/45/73/378344573.db2.gz GVXJPUWITCCPBZ-JSGCOSHPSA-N -1 3 282.343 3.162 20 0 CGADHM Cc1[nH]c2ccccc2c1C(=O)Nc1nc(C)ccc1[O-] ZINC000345919496 378408512 /nfs/dbraw/zinc/40/85/12/378408512.db2.gz BZBCVGBXPSPALO-UHFFFAOYSA-N -1 3 281.315 3.138 20 0 CGADHM CC[C@H](OC1CCCCC1)C(=O)Nc1nc(C)ccc1[O-] ZINC000345922714 378409467 /nfs/dbraw/zinc/40/94/67/378409467.db2.gz FWYFNVSSSIFKRW-AWEZNQCLSA-N -1 3 292.379 3.162 20 0 CGADHM CC[C@H]1CCC[C@H]1CNC(=O)c1c[n-]nc1-c1ccccn1 ZINC000584035112 378368933 /nfs/dbraw/zinc/36/89/33/378368933.db2.gz CJYMGFRJJJCUDZ-STQMWFEESA-N -1 3 298.390 3.028 20 0 CGADHM Cc1cccc(C(=O)N[C@@H]2CCO[C@@H](C(C)(C)C)C2)c1[O-] ZINC000270710445 378391751 /nfs/dbraw/zinc/39/17/51/378391751.db2.gz BPMFZTLOSVMNCU-TZMCWYRMSA-N -1 3 291.391 3.024 20 0 CGADHM CCOc1nc2cc(C(=O)N(CC)CC(C)C)ccc2[n-]1 ZINC000346154115 378482732 /nfs/dbraw/zinc/48/27/32/378482732.db2.gz GFDBDOJDVBVCRW-UHFFFAOYSA-N -1 3 289.379 3.080 20 0 CGADHM CCOc1nc2ccc(C(=O)N(CC)CC(C)C)cc2[n-]1 ZINC000346154115 378482737 /nfs/dbraw/zinc/48/27/37/378482737.db2.gz GFDBDOJDVBVCRW-UHFFFAOYSA-N -1 3 289.379 3.080 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)Sc2ccc(O)cc2)n1 ZINC000346597021 378639287 /nfs/dbraw/zinc/63/92/87/378639287.db2.gz UIRKMCHDKWRQPE-SECBINFHSA-N -1 3 262.334 3.050 20 0 CGADHM CC[C@@H](c1ccncc1)N(C)C(=O)c1ccc([O-])c(C)c1 ZINC000272516288 378655184 /nfs/dbraw/zinc/65/51/84/378655184.db2.gz NCSSTUMQZPVOCY-HNNXBMFYSA-N -1 3 284.359 3.319 20 0 CGADHM COc1cc(C(=O)N[C@@H](C)[C@@H](C)c2ccccc2)ccc1[O-] ZINC000272615779 378677529 /nfs/dbraw/zinc/67/75/29/378677529.db2.gz PFTFBLIWWFXZLG-OLZOCXBDSA-N -1 3 299.370 3.323 20 0 CGADHM Cc1cc(C(=O)N[C@H]2CCO[C@@H](C(C)(C)C)C2)ccc1[O-] ZINC000272695472 378690667 /nfs/dbraw/zinc/69/06/67/378690667.db2.gz VDWYACBQJCULDF-DZGCQCFKSA-N -1 3 291.391 3.024 20 0 CGADHM CCCO[C@@H]1CCCN(C(=O)c2ccc([O-])c(C)c2)CC1 ZINC000272474795 378646073 /nfs/dbraw/zinc/64/60/73/378646073.db2.gz QCJBIIIOZHFSSN-OAHLLOKOSA-N -1 3 291.391 3.122 20 0 CGADHM O=C(c1ccccc1[O-])N1CC[C@H](C2CCCC2)C1 ZINC000421655030 284714660 /nfs/dbraw/zinc/71/46/60/284714660.db2.gz MJHOXRWOMLYXGV-ZDUSSCGKSA-N -1 3 259.349 3.045 20 0 CGADHM [O-]c1cccnc1CNCc1cc(Cl)sc1Cl ZINC000348133806 378806906 /nfs/dbraw/zinc/80/69/06/378806906.db2.gz CIOZAUGOOLLCTA-UHFFFAOYSA-N -1 3 289.187 3.445 20 0 CGADHM [O-]c1cc(F)cc(CN2CCO[C@@H](c3ccccc3)C2)c1 ZINC000274584218 378855444 /nfs/dbraw/zinc/85/54/44/378855444.db2.gz OBDGTFHKYMSJMW-QGZVFWFLSA-N -1 3 287.334 3.105 20 0 CGADHM CC(C)O[C@@H](CNCc1ncccc1[O-])c1ccccc1 ZINC000639118863 379042106 /nfs/dbraw/zinc/04/21/06/379042106.db2.gz GOZAYKZNDAQYCY-KRWDZBQOSA-N -1 3 286.375 3.043 20 0 CGADHM C[C@H]1CCC[C@@H](CC(=O)Nc2nnc(-c3ccco3)[n-]2)C1 ZINC000347393564 218218897 /nfs/dbraw/zinc/21/88/97/218218897.db2.gz WFYOEJSAGHTDEX-WDEREUQCSA-N -1 3 288.351 3.220 20 0 CGADHM C[C@H]1CCC[C@@H](CC(=O)Nc2nc(-c3ccco3)n[n-]2)C1 ZINC000347393564 218218899 /nfs/dbraw/zinc/21/88/99/218218899.db2.gz WFYOEJSAGHTDEX-WDEREUQCSA-N -1 3 288.351 3.220 20 0 CGADHM C[C@H]1CCC[C@@H](CC(=O)Nc2n[n-]c(-c3ccco3)n2)C1 ZINC000347393564 218218901 /nfs/dbraw/zinc/21/89/01/218218901.db2.gz WFYOEJSAGHTDEX-WDEREUQCSA-N -1 3 288.351 3.220 20 0 CGADHM O=C(c1csc(=O)[n-]1)N(CC1CC1)C1CCCCC1 ZINC000348885821 379099523 /nfs/dbraw/zinc/09/95/23/379099523.db2.gz NNYXTMXRDFQRPW-UHFFFAOYSA-N -1 3 280.393 3.034 20 0 CGADHM C[C@H](CCNCc1ccc(F)cc1Cl)CC(=O)[O-] ZINC000277478534 379168863 /nfs/dbraw/zinc/16/88/63/379168863.db2.gz WNFFQDJBAPKKAY-SECBINFHSA-N -1 3 273.735 3.070 20 0 CGADHM CCn1nc(C)c(NC(=O)c2cc([O-])ccc2Cl)c1C ZINC000277729839 379225169 /nfs/dbraw/zinc/22/51/69/379225169.db2.gz QALFTKGKFAGFRH-UHFFFAOYSA-N -1 3 293.754 3.131 20 0 CGADHM CC[C@@](C)(CNCc1c(F)cccc1Cl)C(=O)[O-] ZINC000278029250 379282215 /nfs/dbraw/zinc/28/22/15/379282215.db2.gz QYVFDBRJOWFDAR-ZDUSSCGKSA-N -1 3 273.735 3.070 20 0 CGADHM Cc1cccc([O-])c1NC(=O)[C@@H](C)OCc1ccccc1 ZINC000347579848 218279307 /nfs/dbraw/zinc/27/93/07/218279307.db2.gz WXPXEIXZCWQLMV-CYBMUJFWSA-N -1 3 285.343 3.244 20 0 CGADHM Cc1csc(C2(NCc3cc([O-])cc(F)c3)CCC2)n1 ZINC000349657243 379333517 /nfs/dbraw/zinc/33/35/17/379333517.db2.gz UFZUOWUWALBAQS-UHFFFAOYSA-N -1 3 292.379 3.465 20 0 CGADHM COc1cc(C)cc(NCc2nc(C)ccc2[O-])c1C ZINC000278309498 379343413 /nfs/dbraw/zinc/34/34/13/379343413.db2.gz ASZMIBXGMVHKLR-UHFFFAOYSA-N -1 3 272.348 3.333 20 0 CGADHM CCO[N-]C(=O)CCC[C@H](C)c1cccc(OC)c1 ZINC000278966666 194232821 /nfs/dbraw/zinc/23/28/21/194232821.db2.gz IBNHOTNHQSPRHF-LBPRGKRZSA-N -1 3 265.353 3.037 20 0 CGADHM Cc1ccc(NC(=O)[C@@]2(C)OCCc3ccccc32)c([O-])c1 ZINC000639462423 379409533 /nfs/dbraw/zinc/40/95/33/379409533.db2.gz ZGMYMUGKZCGEQA-SFHVURJKSA-N -1 3 297.354 3.127 20 0 CGADHM [O-]c1ccc(F)cc1-c1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000350568277 379561618 /nfs/dbraw/zinc/56/16/18/379561618.db2.gz PGAKMYYVFWIOLJ-UHFFFAOYSA-N -1 3 296.261 3.125 20 0 CGADHM Cc1ccc([O-])c(-c2nc(-c3cccnc3C)no2)c1 ZINC000350577315 379563981 /nfs/dbraw/zinc/56/39/81/379563981.db2.gz VCEFEHGSALIDLO-UHFFFAOYSA-N -1 3 267.288 3.121 20 0 CGADHM CC(=O)c1ccc(-c2nc(-c3ccc([O-])c(C)c3)no2)o1 ZINC000350611912 379573560 /nfs/dbraw/zinc/57/35/60/379573560.db2.gz PKPHPUHEGKFIQO-UHFFFAOYSA-N -1 3 284.271 3.213 20 0 CGADHM Cc1noc([N-]C(=O)COc2ccc(Cl)cc2C)c1C ZINC000267062536 190300347 /nfs/dbraw/zinc/30/03/47/190300347.db2.gz ADEVQRFKPRXTDW-UHFFFAOYSA-N -1 3 294.738 3.271 20 0 CGADHM Cc1ccc([O-])c(-c2nc(-c3ccn4cncc4c3)no2)c1 ZINC000351086031 379639301 /nfs/dbraw/zinc/63/93/01/379639301.db2.gz LSQOCQPCZFAVJQ-UHFFFAOYSA-N -1 3 292.298 3.065 20 0 CGADHM [O-]c1ccc(Cl)c(CN2CCC[C@@H]2c2ncccn2)c1 ZINC000639843192 379610033 /nfs/dbraw/zinc/61/00/33/379610033.db2.gz ASDIPGCOLPTBPP-CQSZACIVSA-N -1 3 289.766 3.173 20 0 CGADHM CC(F)(F)C(=O)[N-][C@H]1CCCOc2c(Cl)cccc21 ZINC000377399715 379670488 /nfs/dbraw/zinc/67/04/88/379670488.db2.gz GDFZYRRGTZKBRK-JTQLQIEISA-N -1 3 289.709 3.325 20 0 CGADHM CC[C@H](Oc1ccccc1C)C(=O)[N-]c1onc(C)c1C ZINC000267362744 190323735 /nfs/dbraw/zinc/32/37/35/190323735.db2.gz RMWNWZHZXHAERB-ZDUSSCGKSA-N -1 3 288.347 3.396 20 0 CGADHM O=C(CO[C@H]1CCCc2ccccc21)Nc1ccccc1[O-] ZINC000280673364 379761604 /nfs/dbraw/zinc/76/16/04/379761604.db2.gz GKSMVSPBGYVCGG-KRWDZBQOSA-N -1 3 297.354 3.425 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)[C@H]2CC23CCC3)c1-c1cccc(F)c1 ZINC000640944422 379882358 /nfs/dbraw/zinc/88/23/58/379882358.db2.gz OPTMMKADQLHCTI-CYBMUJFWSA-N -1 3 299.349 3.075 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)[C@H](C)C(C)C)c1-c1cccc(F)c1 ZINC000640945348 379884034 /nfs/dbraw/zinc/88/40/34/379884034.db2.gz BMGUIEDOKGSENT-SNVBAGLBSA-N -1 3 289.354 3.177 20 0 CGADHM O=C([N-][C@H](c1ccc(F)cc1)C1CCC1)C(F)F ZINC000279025478 194253913 /nfs/dbraw/zinc/25/39/13/194253913.db2.gz MZCVJVGMPDIVLI-NSHDSACASA-N -1 3 257.255 3.048 20 0 CGADHM C[C@H](c1ccc(F)cc1)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000405291938 379984790 /nfs/dbraw/zinc/98/47/90/379984790.db2.gz KQRAIKIBYBKENO-BXUZGUMPSA-N -1 3 277.339 3.073 20 0 CGADHM C[C@H](C1CC1)n1cc(NCc2c(F)ccc([O-])c2F)cn1 ZINC000352974312 380061758 /nfs/dbraw/zinc/06/17/58/380061758.db2.gz DFIRZFRLAOYYPL-SECBINFHSA-N -1 3 293.317 3.450 20 0 CGADHM Cc1nc(C)c([C@@H](C)N(C)Cc2ncccc2[O-])s1 ZINC000571686269 322305262 /nfs/dbraw/zinc/30/52/62/322305262.db2.gz DGAYWCUHXDAKQX-SNVBAGLBSA-N -1 3 277.393 3.054 20 0 CGADHM COCC[C@@H]1CCCCN(Cc2c(F)ccc([O-])c2F)C1 ZINC000352924364 380041595 /nfs/dbraw/zinc/04/15/95/380041595.db2.gz GIWMHUMHKHNHQO-LBPRGKRZSA-N -1 3 299.361 3.309 20 0 CGADHM [O-]c1cc(F)cc(CN[C@@H](CO)c2ccc(Cl)cc2)c1 ZINC000353246209 380186614 /nfs/dbraw/zinc/18/66/14/380186614.db2.gz YZPQUVILZUQBSI-HNNXBMFYSA-N -1 3 295.741 3.008 20 0 CGADHM Cc1ccc2[n-]cc(C(=O)N(C)[C@H](C)C3(C)CC3)c(=O)c2c1 ZINC000354632612 380507728 /nfs/dbraw/zinc/50/77/28/380507728.db2.gz NZYMBWWXUUBBFP-GFCCVEGCSA-N -1 3 298.386 3.097 20 0 CGADHM Cc1cc(C(=O)N2CCSC[C@H]2C2CCC2)ccc1[O-] ZINC000416325624 380526232 /nfs/dbraw/zinc/52/62/32/380526232.db2.gz SZCAOKCVRQNVCZ-AWEZNQCLSA-N -1 3 291.416 3.058 20 0 CGADHM CCc1ccccc1NCc1cc(=O)[n-]c(C2CC2)n1 ZINC000417005732 380558221 /nfs/dbraw/zinc/55/82/21/380558221.db2.gz RDJSKABTQPOAIV-UHFFFAOYSA-N -1 3 269.348 3.234 20 0 CGADHM CCC[C@@H](C)C[C@H](NCc1cc(OC)ccc1F)C(=O)[O-] ZINC000417563726 380640358 /nfs/dbraw/zinc/64/03/58/380640358.db2.gz NUTZZIQTFJAGGF-ABAIWWIYSA-N -1 3 297.370 3.203 20 0 CGADHM Cc1cc(Cl)cc(C)c1CNCc1ncccc1[O-] ZINC000355320532 380641738 /nfs/dbraw/zinc/64/17/38/380641738.db2.gz TUTVJKMEPPYMEU-UHFFFAOYSA-N -1 3 276.767 3.347 20 0 CGADHM C[C@@H]1CCC[C@](NCc2csc(C3CC3)n2)(C(=O)[O-])C1 ZINC000417572505 380642012 /nfs/dbraw/zinc/64/20/12/380642012.db2.gz VLKIIPJBDFXHJV-MEBBXXQBSA-N -1 3 294.420 3.144 20 0 CGADHM CCCSC[C@H](NCc1cc(Cl)cs1)C(=O)[O-] ZINC000417578904 380643549 /nfs/dbraw/zinc/64/35/49/380643549.db2.gz BGKQLTPKWXRUBM-JTQLQIEISA-N -1 3 293.841 3.088 20 0 CGADHM Cc1cc(F)c(CNC[C@H](C)CCC(=O)[O-])c(Cl)c1 ZINC000417576453 380643859 /nfs/dbraw/zinc/64/38/59/380643859.db2.gz ZGKNKWXMAUXEMV-SECBINFHSA-N -1 3 287.762 3.378 20 0 CGADHM C[C@@H](CN=c1[n-]c(C(F)(F)F)cs1)CC(F)F ZINC000645305055 380645024 /nfs/dbraw/zinc/64/50/24/380645024.db2.gz PFZXJCAJDNITPM-RXMQYKEDSA-N -1 3 274.258 3.287 20 0 CGADHM Cc1ccoc1CN[C@H](CCC(=O)[O-])c1ccccc1 ZINC000417591499 380645505 /nfs/dbraw/zinc/64/55/05/380645505.db2.gz CXHJBYJIPQEKJL-CQSZACIVSA-N -1 3 273.332 3.284 20 0 CGADHM CCc1cc(=O)[n-]c(CSCc2c(F)cccc2F)n1 ZINC000355269768 380626466 /nfs/dbraw/zinc/62/64/66/380626466.db2.gz SYEQYCMKQQNXGP-UHFFFAOYSA-N -1 3 296.342 3.456 20 0 CGADHM Cc1cc(CNCc2ccc(C(=O)[O-])c(C)c2)cs1 ZINC000417666566 380663707 /nfs/dbraw/zinc/66/37/07/380663707.db2.gz GHCUJKHZDKPQJH-UHFFFAOYSA-N -1 3 275.373 3.353 20 0 CGADHM C[C@@H](NCc1ccc(Cl)cc1Cl)[C@@H](C)C(=O)[O-] ZINC000417609004 380649007 /nfs/dbraw/zinc/64/90/07/380649007.db2.gz JXWSQJDKEWTAMR-HTQZYQBOSA-N -1 3 276.163 3.192 20 0 CGADHM O=C([O-])[C@@H](CC1CC1)NCc1cccc(Cl)c1Cl ZINC000417615173 380651798 /nfs/dbraw/zinc/65/17/98/380651798.db2.gz CFMWNOMWMSYPDO-LLVKDONJSA-N -1 3 288.174 3.336 20 0 CGADHM CC(C)(C)c1ccc(CN[C@H]2C=C[C@H](C(=O)[O-])C2)s1 ZINC000417623269 380656513 /nfs/dbraw/zinc/65/65/13/380656513.db2.gz PKNOAJKFVGPIMW-QWRGUYRKSA-N -1 3 279.405 3.165 20 0 CGADHM CC(C)(C)CC[C@@H](NCc1c(F)cccc1F)C(=O)[O-] ZINC000417630615 380658330 /nfs/dbraw/zinc/65/83/30/380658330.db2.gz CXHUEUWHGXPRIG-CYBMUJFWSA-N -1 3 285.334 3.334 20 0 CGADHM CC[C@H](CCNCc1cc(Cl)ccc1F)C(=O)[O-] ZINC000417644520 380660941 /nfs/dbraw/zinc/66/09/41/380660941.db2.gz CHJVTPSRAFYXAU-SECBINFHSA-N -1 3 273.735 3.070 20 0 CGADHM Cc1ccc(CNC[C@@H](CC(=O)[O-])C(F)(F)F)c(C)c1 ZINC000417638177 380661040 /nfs/dbraw/zinc/66/10/40/380661040.db2.gz ZYNZKSBHIGIWSB-GFCCVEGCSA-N -1 3 289.297 3.046 20 0 CGADHM CCSCC[C@H](C)N(C)Cc1ccc(C(=O)[O-])cc1F ZINC000572295799 322329881 /nfs/dbraw/zinc/32/98/81/322329881.db2.gz ASZIAPMEDCVHLV-NSHDSACASA-N -1 3 299.411 3.487 20 0 CGADHM Cc1ccc(C)c([C@H](C)N(C)C(=O)c2csc(=O)[n-]2)c1 ZINC000334775598 207054826 /nfs/dbraw/zinc/05/48/26/207054826.db2.gz QKZOFSUUWIFTHU-NSHDSACASA-N -1 3 290.388 3.299 20 0 CGADHM C[C@@H](C1CCC1)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000357029284 381000654 /nfs/dbraw/zinc/00/06/54/381000654.db2.gz CRXOASUILRIGSY-VIFPVBQESA-N -1 3 277.393 3.017 20 0 CGADHM Cc1ccc(NC(=O)c2coc(C3CCC3)n2)c([O-])c1 ZINC000195315386 542280816 /nfs/dbraw/zinc/28/08/16/542280816.db2.gz GWJYOFUWYAXAIT-UHFFFAOYSA-N -1 3 272.304 3.208 20 0 CGADHM CCOCc1ccc(NC(=O)c2cccc([O-])c2)cc1 ZINC000357362913 381127279 /nfs/dbraw/zinc/12/72/79/381127279.db2.gz JGTRGBCPHZGNOZ-UHFFFAOYSA-N -1 3 271.316 3.181 20 0 CGADHM O=C(Nc1ccc(-c2csnn2)cc1)c1cccc([O-])c1 ZINC000357370769 381131855 /nfs/dbraw/zinc/13/18/55/381131855.db2.gz UWBIXJAGCMHAFB-UHFFFAOYSA-N -1 3 297.339 3.163 20 0 CGADHM O=C(N[C@@H]1CC[C@H]2CCC[C@H]2C1)c1cccc([O-])c1 ZINC000357377206 381134060 /nfs/dbraw/zinc/13/40/60/381134060.db2.gz ROFWONMPXFLMDU-MBNYWOFBSA-N -1 3 259.349 3.091 20 0 CGADHM Cc1cccc(C(=O)N2CCSC3(CCC3)CC2)c1[O-] ZINC000334798657 207095334 /nfs/dbraw/zinc/09/53/34/207095334.db2.gz DGHYFRXWYQYVFO-UHFFFAOYSA-N -1 3 291.416 3.202 20 0 CGADHM CCNc1cc(C)ccc1NC(=O)c1cccc([O-])c1 ZINC000360079518 381438943 /nfs/dbraw/zinc/43/89/43/381438943.db2.gz QEBCFDIOBVDKEG-UHFFFAOYSA-N -1 3 270.332 3.385 20 0 CGADHM Cc1ccc([C@H]2CCCN2C(=O)c2ccc(O)cc2[O-])cc1 ZINC000363177944 382189648 /nfs/dbraw/zinc/18/96/48/382189648.db2.gz AAFWCAMRQZKWMS-MRXNPFEDSA-N -1 3 297.354 3.384 20 0 CGADHM CC(C)C[C@@H](N[C@@H](C)c1cccc(F)c1F)C(=O)[O-] ZINC000232610727 542306384 /nfs/dbraw/zinc/30/63/84/542306384.db2.gz FIFDZZDZDYEZBA-JOYOIKCWSA-N -1 3 271.307 3.115 20 0 CGADHM O=C([O-])C1CCC(NCc2ccc(F)cc2Cl)CC1 ZINC000037562140 184540732 /nfs/dbraw/zinc/54/07/32/184540732.db2.gz VVFDPHDJZKGMPD-UHFFFAOYSA-N -1 3 285.746 3.212 20 0 CGADHM CSCCON=C([O-])Nc1cccc(SC)c1C ZINC000281088124 195098650 /nfs/dbraw/zinc/09/86/50/195098650.db2.gz RKFZBLRVWRQMTH-UHFFFAOYSA-N -1 3 286.422 3.133 20 0 CGADHM CSCCO[N-]C(=O)Nc1cccc(SC)c1C ZINC000281088124 195098653 /nfs/dbraw/zinc/09/86/53/195098653.db2.gz RKFZBLRVWRQMTH-UHFFFAOYSA-N -1 3 286.422 3.133 20 0 CGADHM Cc1nc([N-]C(=O)c2c(F)ccc(F)c2F)cs1 ZINC000335384747 208332722 /nfs/dbraw/zinc/33/27/22/208332722.db2.gz YBUWFASDHPYCMX-UHFFFAOYSA-N -1 3 272.251 3.121 20 0 CGADHM Cc1o[n-]c(=NC(=O)c2ccc(C)c(C)c2Cl)c1C ZINC000335422252 208419120 /nfs/dbraw/zinc/41/91/20/208419120.db2.gz QHJAVPMLUCRSHS-UHFFFAOYSA-N -1 3 278.739 3.236 20 0 CGADHM COc1cc(F)c([N-]C(=O)c2ocnc2C2CC2)cc1F ZINC000288585339 197120694 /nfs/dbraw/zinc/12/06/94/197120694.db2.gz MFXYGAPXIHBVGU-UHFFFAOYSA-N -1 3 294.257 3.091 20 0 CGADHM CC[C@@H]1CC[C@@H](C)N(Cc2cc(C(=O)[O-])c(C)o2)C1 ZINC000306083758 542420325 /nfs/dbraw/zinc/42/03/25/542420325.db2.gz FIMOAUFUUSCVCK-ZYHUDNBSSA-N -1 3 265.353 3.297 20 0 CGADHM COc1ccc(NC(=O)[C@H]2CCCC(F)(F)C2)c([O-])c1 ZINC000334247076 542455311 /nfs/dbraw/zinc/45/53/11/542455311.db2.gz VFEDHZIBCVTOGJ-VIFPVBQESA-N -1 3 285.290 3.165 20 0 CGADHM O=C(CCc1ccc2ccccc2c1[O-])N1CC2(CC2)C1 ZINC000334829021 542461946 /nfs/dbraw/zinc/46/19/46/542461946.db2.gz KPTVTSTXWMDLDJ-UHFFFAOYSA-N -1 3 281.355 3.100 20 0 CGADHM COc1ccc(-c2nc(-c3ccc([O-])c(OC)c3)no2)cc1 ZINC000436792444 533190141 /nfs/dbraw/zinc/19/01/41/533190141.db2.gz WDOKAALJXLDRIE-UHFFFAOYSA-N -1 3 298.298 3.126 20 0 CGADHM Cc1ccc(-c2nc([C@H]3CCOC(C)(C)C3)no2)c([O-])c1 ZINC000351167181 542541497 /nfs/dbraw/zinc/54/14/97/542541497.db2.gz ANKYODKYMCJHTL-NSHDSACASA-N -1 3 288.347 3.423 20 0 CGADHM O=C(/C=C/c1cncc([O-])c1)Nc1ccc(Cl)cc1F ZINC000179384628 260045493 /nfs/dbraw/zinc/04/54/93/260045493.db2.gz WSVQFJUPMSNPRF-DAFODLJHSA-N -1 3 292.697 3.232 20 0 CGADHM CO[C@@H]1CCC[C@H]1CNC(=O)c1cc([O-])c2ccccc2c1 ZINC000355448316 542567021 /nfs/dbraw/zinc/56/70/21/542567021.db2.gz BYAZREMPCHTTFJ-SUMWQHHRSA-N -1 3 299.370 3.090 20 0 CGADHM Cc1ccc(NC(=O)CCCC2CCOCC2)c([O-])c1 ZINC000281565019 195289829 /nfs/dbraw/zinc/28/98/29/195289829.db2.gz QQVUJABUDQZVLF-UHFFFAOYSA-N -1 3 277.364 3.236 20 0 CGADHM O=c1ccnc(C=Cc2csc(Br)c2)[n-]1 ZINC000742219925 572559210 /nfs/dbraw/zinc/55/92/10/572559210.db2.gz IRJHASKOBMUWHZ-UPHRSURJSA-N -1 3 283.150 3.177 20 0 CGADHM C[C@@H](NC(=O)c1ccc(O)cc1[O-])c1ccccc1Cl ZINC000192719098 533291395 /nfs/dbraw/zinc/29/13/95/533291395.db2.gz VHKUKUMARQOIIK-SECBINFHSA-N -1 3 291.734 3.242 20 0 CGADHM COc1ccc(C(=O)N[C@H](C)Cc2ccccc2C)c([O-])c1 ZINC000436731010 533342692 /nfs/dbraw/zinc/34/26/92/533342692.db2.gz ZITVGFWQMAZSJI-CYBMUJFWSA-N -1 3 299.370 3.070 20 0 CGADHM Cc1ccc(C(=O)N[C@H](C)CC(F)(F)F)c([O-])c1C ZINC000436803479 533587261 /nfs/dbraw/zinc/58/72/61/533587261.db2.gz KWHIPQTWHXYNLW-MRVPVSSYSA-N -1 3 275.270 3.080 20 0 CGADHM COc1cc(C(=O)Nc2ccc(Cl)cc2[O-])cc(C)n1 ZINC000436483370 533557743 /nfs/dbraw/zinc/55/77/43/533557743.db2.gz DVUOBKOXMHKAEL-UHFFFAOYSA-N -1 3 292.722 3.010 20 0 CGADHM Cc1ccc(C(=O)Nc2ccc3c(c2)CCO3)c([O-])c1C ZINC000436747050 533611639 /nfs/dbraw/zinc/61/16/39/533611639.db2.gz JYSJILGULJQAFI-UHFFFAOYSA-N -1 3 283.327 3.196 20 0 CGADHM COc1cc(C)cc(C(=O)Nc2cccc(C)c2)c1[O-] ZINC000436757418 533626409 /nfs/dbraw/zinc/62/64/09/533626409.db2.gz VAJOFORJZQBBLE-UHFFFAOYSA-N -1 3 271.316 3.270 20 0 CGADHM Cc1cc(Cl)ccc1CN1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000388687910 542605850 /nfs/dbraw/zinc/60/58/50/542605850.db2.gz RQJPURDENJJTLP-RISCZKNCSA-N -1 3 281.783 3.191 20 0 CGADHM O=C(CCC1CCCCC1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000020496210 391939834 /nfs/dbraw/zinc/93/98/34/391939834.db2.gz UJPDTULOBGBDFI-UHFFFAOYSA-N -1 3 299.378 3.166 20 0 CGADHM O=C(CCC1CCCCC1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000020496210 391939841 /nfs/dbraw/zinc/93/98/41/391939841.db2.gz UJPDTULOBGBDFI-UHFFFAOYSA-N -1 3 299.378 3.166 20 0 CGADHM C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)Nc1ccccc1[O-] ZINC000033226573 391973229 /nfs/dbraw/zinc/97/32/29/391973229.db2.gz KLWBGWQBIPCYJO-GFCCVEGCSA-N -1 3 297.354 3.287 20 0 CGADHM O=C([O-])c1ccc(CNCc2ccc(Cl)s2)cc1 ZINC000071308423 392190525 /nfs/dbraw/zinc/19/05/25/392190525.db2.gz SXFMYRMCDZBNDD-UHFFFAOYSA-N -1 3 281.764 3.390 20 0 CGADHM CCN=c1[n-]c(C(=O)N2CCCC[C@H]2[C@H](C)CC)cs1 ZINC000357914314 285473873 /nfs/dbraw/zinc/47/38/73/285473873.db2.gz SJMZCROPVOFIJS-YPMHNXCESA-N -1 3 295.452 3.038 20 0 CGADHM O=C([O-])CCN(Cc1cccs1)Cc1cccs1 ZINC000238159411 131078541 /nfs/dbraw/zinc/07/85/41/131078541.db2.gz RPGXQDSONVDQEU-UHFFFAOYSA-N -1 3 281.402 3.287 20 0 CGADHM COc1ccc(NC(=O)c2cccc(Cl)c2)c([O-])c1 ZINC000443571684 542667982 /nfs/dbraw/zinc/66/79/82/542667982.db2.gz ZKSJFDGPVLDKMO-UHFFFAOYSA-N -1 3 277.707 3.307 20 0 CGADHM O=C(N[C@@H]1CCC[C@@H]2C[C@@H]21)c1cc([O-])c2ccccc2c1 ZINC000458299284 542691716 /nfs/dbraw/zinc/69/17/16/542691716.db2.gz MZMUNNQSNMGTEL-UHOFOFEASA-N -1 3 281.355 3.464 20 0 CGADHM COC[C@@H]1CCCCN1C(=O)c1cc([O-])c2ccccc2c1 ZINC000456972611 542689022 /nfs/dbraw/zinc/68/90/22/542689022.db2.gz UTHIVBMDULRGDE-HNNXBMFYSA-N -1 3 299.370 3.187 20 0 CGADHM CCc1cc(C(=O)N(CC)c2nc(C)cs2)ccc1[O-] ZINC000291852336 392493140 /nfs/dbraw/zinc/49/31/40/392493140.db2.gz GCEHJOSFTRPDJA-UHFFFAOYSA-N -1 3 290.388 3.386 20 0 CGADHM O=C([N-]OCC1CC1)Nc1ccc(C(F)(F)F)cc1 ZINC000292281607 392501879 /nfs/dbraw/zinc/50/18/79/392501879.db2.gz IDPDQUQLACYEAI-UHFFFAOYSA-N -1 3 274.242 3.169 20 0 CGADHM CCc1ccc([C@H](C)NC(=O)c2ccc3n[n-]nc3c2)cc1 ZINC000170224432 392612182 /nfs/dbraw/zinc/61/21/82/392612182.db2.gz HSFURPZWTZNNDC-NSHDSACASA-N -1 3 294.358 3.011 20 0 CGADHM O=C(Nc1ncccc1[O-])C1CC(c2cccc(F)c2)C1 ZINC000372551063 392619549 /nfs/dbraw/zinc/61/95/49/392619549.db2.gz RONDWUOYCZLVNL-UHFFFAOYSA-N -1 3 286.306 3.059 20 0 CGADHM COc1c(C)ccc(NC(=O)/C=C/c2cncc([O-])c2)c1C ZINC000181875566 392737656 /nfs/dbraw/zinc/73/76/56/392737656.db2.gz OCBRXTKWSWYGTK-FNORWQNLSA-N -1 3 298.342 3.065 20 0 CGADHM C[C@@H]1CN(C(=O)c2cc(C(F)(F)F)n[n-]2)c2ccccc21 ZINC000335069910 392769175 /nfs/dbraw/zinc/76/91/75/392769175.db2.gz UMJWIUUITJXZOH-MRVPVSSYSA-N -1 3 295.264 3.192 20 0 CGADHM C[C@@H]1CN(C(=O)c2cc(C(F)(F)F)[n-]n2)c2ccccc21 ZINC000335069910 392769179 /nfs/dbraw/zinc/76/91/79/392769179.db2.gz UMJWIUUITJXZOH-MRVPVSSYSA-N -1 3 295.264 3.192 20 0 CGADHM CC(C)[C@H]1CC[C@H](c2nc(-c3cc(=O)[n-]cn3)no2)CC1 ZINC000647417865 392720205 /nfs/dbraw/zinc/72/02/05/392720205.db2.gz YAOGWADVTWESSN-XYPYZODXSA-N -1 3 288.351 3.162 20 0 CGADHM CCc1ccc(C(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)cc1 ZINC000647802268 392802851 /nfs/dbraw/zinc/80/28/51/392802851.db2.gz KCMDQFFBEWZYJE-UHFFFAOYSA-N -1 3 281.315 3.083 20 0 CGADHM Cc1cc2c([n-]c(CC(=O)c3cccc(C)c3)nc2=O)s1 ZINC000193914042 392889486 /nfs/dbraw/zinc/88/94/86/392889486.db2.gz ZDXXIRYPRFQIRC-UHFFFAOYSA-N -1 3 298.367 3.027 20 0 CGADHM Cc1csc2[n-]c(Cc3nc4ccccc4o3)nc(=O)c12 ZINC000193543637 392879228 /nfs/dbraw/zinc/87/92/28/392879228.db2.gz XVFGCKRLMIQXCV-UHFFFAOYSA-N -1 3 297.339 3.025 20 0 CGADHM CCc1cccc(-c2nc(-c3ccccn3)no2)c1[O-] ZINC000546257220 393041926 /nfs/dbraw/zinc/04/19/26/393041926.db2.gz UDNPQPVOUGWWOB-UHFFFAOYSA-N -1 3 267.288 3.067 20 0 CGADHM Cc1ccsc1CCCC(=O)Nc1nc(C)ccc1[O-] ZINC000345921771 393072251 /nfs/dbraw/zinc/07/22/51/393072251.db2.gz DTZYFJJAGSHPIV-UHFFFAOYSA-N -1 3 290.388 3.427 20 0 CGADHM CCc1cccc(C(=O)N2CCC[C@@H](C(C)C)C2)c1[O-] ZINC000548054560 393167198 /nfs/dbraw/zinc/16/71/98/393167198.db2.gz IFLUMWFBCLEMPJ-CQSZACIVSA-N -1 3 275.392 3.463 20 0 CGADHM CCc1cc(=O)[n-]c(CN2CCC[C@@H](C(C)C)CC2)n1 ZINC000468279014 393133330 /nfs/dbraw/zinc/13/33/30/393133330.db2.gz AZLQWBFQVIQZOI-CYBMUJFWSA-N -1 3 277.412 3.003 20 0 CGADHM CCc1cc(=O)[n-]c(CN2CCC[C@H](C(C)C)CC2)n1 ZINC000468279017 393134571 /nfs/dbraw/zinc/13/45/71/393134571.db2.gz AZLQWBFQVIQZOI-ZDUSSCGKSA-N -1 3 277.412 3.003 20 0 CGADHM C[C@H]1CN(Cc2cc([O-])cc(C(F)(F)F)c2)[C@H]1C ZINC000646252549 393247572 /nfs/dbraw/zinc/24/75/72/393247572.db2.gz NJQDTJMJWSNNHB-IUCAKERBSA-N -1 3 259.271 3.251 20 0 CGADHM O=C(CCCc1ccc([O-])c(F)c1)N1CC[C@H]2CCC[C@@H]21 ZINC000469621241 393204656 /nfs/dbraw/zinc/20/46/56/393204656.db2.gz LPKOJVIIDNQTNH-HIFRSBDPSA-N -1 3 291.366 3.255 20 0 CGADHM CC[C@H](NC(=O)c1c[n-]c2ccccc2c1=O)[C@H]1CC1(C)C ZINC000416270908 393287926 /nfs/dbraw/zinc/28/79/26/393287926.db2.gz AJTMNZVNPQHWNK-KGLIPLIRSA-N -1 3 298.386 3.083 20 0 CGADHM CC[C@@H](NC(=O)Cc1ccc([O-])c(F)c1)[C@@H]1CC1(C)C ZINC000416276708 393288803 /nfs/dbraw/zinc/28/88/03/393288803.db2.gz NHTNBDIZIUFIKM-WCQYABFASA-N -1 3 279.355 3.015 20 0 CGADHM CCc1ccc(NC(=O)c2ccc3[nH][n-]c(=O)c3c2)cc1 ZINC000646584084 393307253 /nfs/dbraw/zinc/30/72/53/393307253.db2.gz XAZKJQOYZVLIBM-UHFFFAOYSA-N -1 3 281.315 3.083 20 0 CGADHM O=C(Cc1ccncc1Cl)Nc1cc(Cl)ccc1[O-] ZINC000646733472 393314383 /nfs/dbraw/zinc/31/43/83/393314383.db2.gz QQUPPFXSAFAXIY-UHFFFAOYSA-N -1 3 297.141 3.275 20 0 CGADHM CCc1cc(C(=O)Nc2cc(C)c3nccn3c2)ccc1[O-] ZINC000355435894 393321314 /nfs/dbraw/zinc/32/13/14/393321314.db2.gz AWNOWCKEPVOVEB-UHFFFAOYSA-N -1 3 295.342 3.163 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@@H]1CCC(C)=C(C)C1 ZINC000649228232 393376456 /nfs/dbraw/zinc/37/64/56/393376456.db2.gz FRIUBUBTYMRTMG-CYBMUJFWSA-N -1 3 275.396 3.338 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@@H]1[C@@H](C)[C@@H]1c1ccccc1 ZINC000649230059 393378049 /nfs/dbraw/zinc/37/80/49/393378049.db2.gz XSUHVMLIKPGMRN-NILFDRSVSA-N -1 3 297.402 3.252 20 0 CGADHM COc1ccc(Cl)c(CN2CCC(C)(C(=O)[O-])CC2)c1 ZINC000649450471 393436834 /nfs/dbraw/zinc/43/68/34/393436834.db2.gz RVJFCEVGRGJBCY-UHFFFAOYSA-N -1 3 297.782 3.035 20 0 CGADHM CC(C)(CCCNCc1ccc(Cl)cc1F)C(=O)[O-] ZINC000426642221 393449783 /nfs/dbraw/zinc/44/97/83/393449783.db2.gz GLQTVJPAFYTZFH-UHFFFAOYSA-N -1 3 287.762 3.460 20 0 CGADHM C[C@H]1Cc2ccccc2[C@@H]1NC(=O)c1cccc([O-])c1 ZINC000357348568 393508456 /nfs/dbraw/zinc/50/84/56/393508456.db2.gz CWQHXQNAIXFVNO-MEDUHNTESA-N -1 3 267.328 3.056 20 0 CGADHM CC[C@@H](C)C[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000420708123 393517389 /nfs/dbraw/zinc/51/73/89/393517389.db2.gz OYMBIVXHGLNTIW-SECBINFHSA-N -1 3 295.326 3.030 20 0 CGADHM CC(F)(F)CC(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000430296718 393561863 /nfs/dbraw/zinc/56/18/63/393561863.db2.gz DOHYUHGRFZQNQX-UHFFFAOYSA-N -1 3 283.196 3.395 20 0 CGADHM CC[C@H]1C[C@H](CC(=O)Nc2ccc([O-])cc2F)CCO1 ZINC000360853929 393599120 /nfs/dbraw/zinc/59/91/20/393599120.db2.gz SNQIEFGVNOWTND-PWSUYJOCSA-N -1 3 281.327 3.065 20 0 CGADHM CCc1csc([N-]C(=O)c2snnc2C(C)(C)C)n1 ZINC000489853287 393617787 /nfs/dbraw/zinc/61/77/87/393617787.db2.gz LFHXZZHOOLGLMU-UHFFFAOYSA-N -1 3 296.421 3.107 20 0 CGADHM O=C(Nc1ccc2[nH]cnc2c1)c1cc([O-])ccc1Cl ZINC000433090399 393685384 /nfs/dbraw/zinc/68/53/84/393685384.db2.gz KOAFTRPNAOZHGK-UHFFFAOYSA-N -1 3 287.706 3.174 20 0 CGADHM O=C(Nc1ccc2nc[nH]c2c1)c1cc([O-])ccc1Cl ZINC000433090399 393685387 /nfs/dbraw/zinc/68/53/87/393685387.db2.gz KOAFTRPNAOZHGK-UHFFFAOYSA-N -1 3 287.706 3.174 20 0 CGADHM CCC(C)(C)[C@H]1CCCN1C(=O)c1ccc([O-])c(OC)c1 ZINC000443063720 393740613 /nfs/dbraw/zinc/74/06/13/393740613.db2.gz WZKNVIVZXJHRBC-OAHLLOKOSA-N -1 3 291.391 3.442 20 0 CGADHM CCC[C@H]1[C@H](C)CCCN1C(=O)c1ccc([O-])c(OC)c1 ZINC000443276981 393750686 /nfs/dbraw/zinc/75/06/86/393750686.db2.gz BDVDTXLLMBWFQD-OCCSQVGLSA-N -1 3 291.391 3.442 20 0 CGADHM Cc1cccc(C(=O)N2CC[C@]3(CC[C@H](C)C3)C2)c1[O-] ZINC000436703700 393717557 /nfs/dbraw/zinc/71/75/57/393717557.db2.gz JIMMZPNFEVAOKS-SJCJKPOMSA-N -1 3 273.376 3.353 20 0 CGADHM Cc1cccc(-c2nc(-c3ccc4cc[nH]c4n3)no2)c1[O-] ZINC000445570274 393807440 /nfs/dbraw/zinc/80/74/40/393807440.db2.gz FCUWNABCLZNZAW-UHFFFAOYSA-N -1 3 292.298 3.294 20 0 CGADHM Cc1cc(C(=O)N[C@@H]2C[C@@H]2C2CCCCC2)ccc1[O-] ZINC000499842495 393809425 /nfs/dbraw/zinc/80/94/25/393809425.db2.gz HVZCKNLJXZBASE-HUUCEWRRSA-N -1 3 273.376 3.399 20 0 CGADHM C[C@@H](CCC1CCCCC1)[N-]S(=O)(=O)c1ccco1 ZINC000445709693 393818763 /nfs/dbraw/zinc/81/87/63/393818763.db2.gz NXTLUPBQMQYJPE-LBPRGKRZSA-N -1 3 285.409 3.307 20 0 CGADHM Cc1cc(C)c2c(c1)CN([C@@H](C)c1nc(C)cc(=O)[n-]1)CC2 ZINC000447884826 393866798 /nfs/dbraw/zinc/86/67/98/393866798.db2.gz ZYOWYULKYXLQSE-AWEZNQCLSA-N -1 3 297.402 3.227 20 0 CGADHM CC(C)c1cnc(NC(=O)Cc2ccc([O-])c(F)c2)s1 ZINC000449947977 393949554 /nfs/dbraw/zinc/94/95/54/393949554.db2.gz ACYJTEJVALQHMG-UHFFFAOYSA-N -1 3 294.351 3.292 20 0 CGADHM CC(C)CC(C)(C)CNC(=O)Cc1ccc([O-])c(F)c1 ZINC000450067006 393971409 /nfs/dbraw/zinc/97/14/09/393971409.db2.gz IRFCEVFPCWKCNN-UHFFFAOYSA-N -1 3 281.371 3.262 20 0 CGADHM CCC[C@H](NC(=O)Cc1ccc([O-])c(F)c1)C(C)(C)C ZINC000452667457 394100311 /nfs/dbraw/zinc/10/03/11/394100311.db2.gz HENJQBFHNLVBJH-AWEZNQCLSA-N -1 3 281.371 3.405 20 0 CGADHM CC(C)(CNC(=O)Cc1ccc([O-])c(F)c1)C1CCC1 ZINC000452797178 394121925 /nfs/dbraw/zinc/12/19/25/394121925.db2.gz UUOOGKPXEIBDBK-UHFFFAOYSA-N -1 3 279.355 3.016 20 0 CGADHM C[C@H](CC(C)(C)C)NC(=O)Cc1ccc([O-])c(F)c1 ZINC000457190152 394327086 /nfs/dbraw/zinc/32/70/86/394327086.db2.gz IOVOYAOTXCLGBZ-SNVBAGLBSA-N -1 3 267.344 3.015 20 0 CGADHM CC[C@@]1(C(C)C)C[C@H]1NC(=O)c1c[n-]c2ccccc2c1=O ZINC000457261691 394338080 /nfs/dbraw/zinc/33/80/80/394338080.db2.gz CZZYQFCJYSOEFR-QAPCUYQASA-N -1 3 298.386 3.083 20 0 CGADHM CC(C)(C)C[C@H](CC(=O)[O-])NCc1nc2c(s1)CCC2 ZINC000671162883 543161878 /nfs/dbraw/zinc/16/18/78/543161878.db2.gz VVZICPPBVQSNMS-JTQLQIEISA-N -1 3 296.436 3.001 20 0 CGADHM COC1CCC(C(=O)Nc2ccc(Cl)cc2[O-])CC1 ZINC000672910829 543230179 /nfs/dbraw/zinc/23/01/79/543230179.db2.gz JFWBOVBARACPTP-UHFFFAOYSA-N -1 3 283.755 3.189 20 0 CGADHM O=C(CCc1ccccc1F)Nc1cc(F)ccc1[O-] ZINC000674015046 543263304 /nfs/dbraw/zinc/26/33/04/543263304.db2.gz IECNFDSGCTWHCU-UHFFFAOYSA-N -1 3 277.270 3.242 20 0 CGADHM Cc1ccc(NC(=O)c2ccc(Cl)o2)c([O-])c1 ZINC000040428852 397610950 /nfs/dbraw/zinc/61/09/50/397610950.db2.gz PVYNBLQZDYKCLE-UHFFFAOYSA-N -1 3 251.669 3.199 20 0 CGADHM Cc1ccc(-c2nc(=O)c3c(C)c(C)sc3[n-]2)o1 ZINC000047681915 397634277 /nfs/dbraw/zinc/63/42/77/397634277.db2.gz ZTZOANOCKFJCGX-UHFFFAOYSA-N -1 3 260.318 3.170 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])[C@H]1CC12CCC2 ZINC000675414176 543337615 /nfs/dbraw/zinc/33/76/15/543337615.db2.gz HXZYTDZGLZVRQK-SECBINFHSA-N -1 3 251.713 3.174 20 0 CGADHM CC(=O)C(C)(C)CCC(=O)Nc1ccc(C)cc1[O-] ZINC000676474716 543398255 /nfs/dbraw/zinc/39/82/55/543398255.db2.gz RYHMMSQGXVZMRA-UHFFFAOYSA-N -1 3 263.337 3.035 20 0 CGADHM O=C(Nc1ccc(Cl)cc1[O-])[C@@H]1CC12CCC2 ZINC000677212473 543440765 /nfs/dbraw/zinc/44/07/65/543440765.db2.gz PCAWTIZXRVEOKA-VIFPVBQESA-N -1 3 251.713 3.174 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CC[C@@H](C(F)(F)F)[C@H]2C)c1 ZINC000334470493 292163173 /nfs/dbraw/zinc/16/31/73/292163173.db2.gz FSIDXWGVDBOHND-MWLCHTKSSA-N -1 3 287.281 3.114 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CCS[C@H]3CCCC[C@@H]32)c1 ZINC000175431959 292163348 /nfs/dbraw/zinc/16/33/48/292163348.db2.gz AQEVGDYCTCXZGW-ZFWWWQNUSA-N -1 3 291.416 3.201 20 0 CGADHM O=C([N-]c1ncc(-c2ccccc2)s1)c1cnco1 ZINC000677519838 543453443 /nfs/dbraw/zinc/45/34/43/543453443.db2.gz PCIHDWPJDYJJOT-UHFFFAOYSA-N -1 3 271.301 3.050 20 0 CGADHM O=C(Cc1cc2ccccc2o1)Nc1cc(F)ccc1[O-] ZINC000677590679 543456021 /nfs/dbraw/zinc/45/60/21/543456021.db2.gz BDCNWQFGSWYTCW-UHFFFAOYSA-N -1 3 285.274 3.459 20 0 CGADHM CSc1ccncc1NC(=O)c1ccc(C)c(C)c1[O-] ZINC000678315916 543514523 /nfs/dbraw/zinc/51/45/23/543514523.db2.gz QFDUWBPYYQRDMY-UHFFFAOYSA-N -1 3 288.372 3.378 20 0 CGADHM Cc1cccc(C(=O)N[C@H](C)Cc2cccs2)c1[O-] ZINC000070140845 286986117 /nfs/dbraw/zinc/98/61/17/286986117.db2.gz GMUIUYZICXLGSJ-LLVKDONJSA-N -1 3 275.373 3.123 20 0 CGADHM CCC[C@]1(C)CCCN(C(=O)c2ccccc2[O-])C1 ZINC000075501146 287025360 /nfs/dbraw/zinc/02/53/60/287025360.db2.gz SYWOLPWJKLXCBV-MRXNPFEDSA-N -1 3 261.365 3.435 20 0 CGADHM CC[C@@H]1CCCN(C(=O)c2cc(C)ccc2[O-])CC1 ZINC000079053546 287053351 /nfs/dbraw/zinc/05/33/51/287053351.db2.gz MAOSQPHXONNADQ-CYBMUJFWSA-N -1 3 261.365 3.353 20 0 CGADHM COc1ccc(C(=O)NC2CCC(C)(C)CC2)c([O-])c1 ZINC000079679798 287059646 /nfs/dbraw/zinc/05/96/46/287059646.db2.gz PDEZMALBMDOSPG-UHFFFAOYSA-N -1 3 277.364 3.099 20 0 CGADHM Cc1cccc(C(=O)N[C@@H](C)c2nc3ccccc3[nH]2)c1[O-] ZINC000080295641 287064640 /nfs/dbraw/zinc/06/46/40/287064640.db2.gz UBAWOUAIXCHCEF-NSHDSACASA-N -1 3 295.342 3.068 20 0 CGADHM C[C@H](c1ccc(F)c(F)c1)N1CCC[C@H](CC(=O)[O-])C1 ZINC000086756854 287083923 /nfs/dbraw/zinc/08/39/23/287083923.db2.gz DQVBRDHZJGJHFF-GHMZBOCLSA-N -1 3 283.318 3.213 20 0 CGADHM Cc1ccc(C)c(CC(=O)Nc2ccc([O-])cc2F)c1 ZINC000070333137 165059114 /nfs/dbraw/zinc/05/91/14/165059114.db2.gz RLEMVSUWOQHKCV-UHFFFAOYSA-N -1 3 273.307 3.329 20 0 CGADHM CC(C)(NC(=O)c1cccc([O-])c1)c1cccc(F)c1 ZINC000082282669 165168284 /nfs/dbraw/zinc/16/82/84/165168284.db2.gz NOIIJMAILCFZQR-UHFFFAOYSA-N -1 3 273.307 3.196 20 0 CGADHM Cc1ccc(NC(=O)c2ncccc2C(F)(F)F)c([O-])c1 ZINC000092210358 287110854 /nfs/dbraw/zinc/11/08/54/287110854.db2.gz GWPSKLHEQAUMRL-UHFFFAOYSA-N -1 3 296.248 3.367 20 0 CGADHM CC(C)C[C@@H](CNc1ccnc2ccccc21)C(=O)[O-] ZINC000094703348 165392733 /nfs/dbraw/zinc/39/27/33/165392733.db2.gz CGRRQTRPVWWIAR-LBPRGKRZSA-N -1 3 272.348 3.394 20 0 CGADHM CCc1ccc([O-])c(C(=O)NC[C@@H]2CC=CCC2)c1 ZINC000109828474 287130268 /nfs/dbraw/zinc/13/02/68/287130268.db2.gz XHRPMSAZIAWSSY-CYBMUJFWSA-N -1 3 259.349 3.041 20 0 CGADHM COc1ccc([O-])c(-c2nc(-c3cccc(F)c3)no2)c1 ZINC000109037317 287127709 /nfs/dbraw/zinc/12/77/09/287127709.db2.gz OWTRBEDSJIPCHU-UHFFFAOYSA-N -1 3 286.262 3.257 20 0 CGADHM Cc1c(CNC(=O)c2ccc(O)cc2[O-])oc2ccccc12 ZINC000115100225 287152899 /nfs/dbraw/zinc/15/28/99/287152899.db2.gz ZIGBHGNLYYKGJF-UHFFFAOYSA-N -1 3 297.310 3.082 20 0 CGADHM Cc1cccc(O[C@H](C)C(=O)Nc2ccccc2[O-])c1 ZINC000008215301 170324831 /nfs/dbraw/zinc/32/48/31/170324831.db2.gz TXRAKCRKZSZAOB-GFCCVEGCSA-N -1 3 271.316 3.107 20 0 CGADHM CCc1cccc(OCC(=O)Nc2ccc(C)cc2[O-])c1 ZINC000008378915 170334147 /nfs/dbraw/zinc/33/41/47/170334147.db2.gz RIEKODPCIRAQCI-UHFFFAOYSA-N -1 3 285.343 3.281 20 0 CGADHM CCCOc1cccc(CC(=O)Nc2ccccc2[O-])c1 ZINC000125147464 287240355 /nfs/dbraw/zinc/24/03/55/287240355.db2.gz KVLASYJJXHPCGX-UHFFFAOYSA-N -1 3 285.343 3.362 20 0 CGADHM Cc1oc(C(C)C)nc1C(=O)Nc1ccccc1[O-] ZINC000284957651 196164553 /nfs/dbraw/zinc/16/45/53/196164553.db2.gz DCUVBUZUPMQQTL-UHFFFAOYSA-N -1 3 260.293 3.064 20 0 CGADHM O=C(c1cccc([O-])c1)N1CC[C@H]2CCCC[C@H]2C1 ZINC000035153644 172016336 /nfs/dbraw/zinc/01/63/36/172016336.db2.gz VOVYRQPNSONEJH-OCCSQVGLSA-N -1 3 259.349 3.045 20 0 CGADHM CN(Cc1cc(=O)oc2cc([O-])c(Cl)cc12)C1CCC1 ZINC000285084626 196193330 /nfs/dbraw/zinc/19/33/30/196193330.db2.gz PUTAKOZKYWGHEP-UHFFFAOYSA-N -1 3 293.750 3.136 20 0 CGADHM O=C([O-])C[C@@H]1CCCCN1Cc1ccccc1OC(F)F ZINC000038027363 174012841 /nfs/dbraw/zinc/01/28/41/174012841.db2.gz GGBSJVDJCLGLSE-LBPRGKRZSA-N -1 3 299.317 3.117 20 0 CGADHM COc1ccc(Cl)cc1CN1CCCC[C@H]1CC(=O)[O-] ZINC000038027505 174014387 /nfs/dbraw/zinc/01/43/87/174014387.db2.gz GBRVOGBPJUYQNI-ZDUSSCGKSA-N -1 3 297.782 3.178 20 0 CGADHM O=C(Cc1ccc(Cl)cc1Cl)Nc1ncccc1[O-] ZINC000039515575 174169402 /nfs/dbraw/zinc/16/94/02/174169402.db2.gz XDEXCVRGUQCYCL-UHFFFAOYSA-N -1 3 297.141 3.275 20 0 CGADHM Cc1ccc(NC(=O)CSC(C)(C)C)c([O-])c1 ZINC000040413258 174254869 /nfs/dbraw/zinc/25/48/69/174254869.db2.gz PNJSHIFXBYVAMF-UHFFFAOYSA-N -1 3 253.367 3.171 20 0 CGADHM O=C([O-])CC[C@@H]1CCCN(Cc2ccc(Cl)s2)C1 ZINC000043585449 175071399 /nfs/dbraw/zinc/07/13/99/175071399.db2.gz ASSZPLPTGCVMAP-JTQLQIEISA-N -1 3 287.812 3.478 20 0 CGADHM O=C(/C=C/c1cccc(F)c1)Nc1cccc([O-])c1F ZINC000128459891 287311411 /nfs/dbraw/zinc/31/14/11/287311411.db2.gz KSVKHFICMHMKOW-BQYQJAHWSA-N -1 3 275.254 3.322 20 0 CGADHM CCO[C@H](C(=O)Nc1cccc([O-])c1F)c1ccccc1 ZINC000128591864 287314365 /nfs/dbraw/zinc/31/43/65/287314365.db2.gz XSDIKOBFEYWUSM-HNNXBMFYSA-N -1 3 289.306 3.248 20 0 CGADHM C[C@@H]1CCCC[C@H]1OCC(=O)Nc1cccc([O-])c1F ZINC000128658216 287315670 /nfs/dbraw/zinc/31/56/70/287315670.db2.gz WFZGAKWSPWTPPT-ZWNOBZJWSA-N -1 3 281.327 3.065 20 0 CGADHM O=C(Cc1c[nH]c2ccccc12)Nc1cccc([O-])c1F ZINC000128705892 287316669 /nfs/dbraw/zinc/31/66/69/287316669.db2.gz XCRXEKUBYCBGDH-UHFFFAOYSA-N -1 3 284.290 3.194 20 0 CGADHM CC[C@@H](OC1CCCC1)C(=O)Nc1cccc([O-])c1F ZINC000128846060 287319465 /nfs/dbraw/zinc/31/94/65/287319465.db2.gz JTUNQTRTZDSXHK-CYBMUJFWSA-N -1 3 281.327 3.208 20 0 CGADHM CCCOCc1nc(=O)c2c3c(sc2[n-]1)C[C@H](C)CC3 ZINC000049068455 416465005 /nfs/dbraw/zinc/46/50/05/416465005.db2.gz XFAIDUBIXUDKNH-SECBINFHSA-N -1 3 292.404 3.036 20 0 CGADHM CSc1ccncc1NC(=O)c1ccc([O-])c(C)c1 ZINC000679410093 543636467 /nfs/dbraw/zinc/63/64/67/543636467.db2.gz BKVYUFGAKNMWJN-UHFFFAOYSA-N -1 3 274.345 3.070 20 0 CGADHM C[C@H]1CC[C@@H](C(F)(F)F)CN1C(=O)c1cccc([O-])c1 ZINC000679649093 543653208 /nfs/dbraw/zinc/65/32/08/543653208.db2.gz QNNTVEQUIHARCD-GXSJLCMTSA-N -1 3 287.281 3.195 20 0 CGADHM O=S(=O)([N-]c1ccc(F)cc1OC1CCCC1)C1CC1 ZINC000680808556 543735940 /nfs/dbraw/zinc/73/59/40/543735940.db2.gz AKOCDSXLCJSHSN-UHFFFAOYSA-N -1 3 299.367 3.051 20 0 CGADHM O=S(=O)(CCC1CCCCC1)c1cccc([O-])c1 ZINC000680481933 543714578 /nfs/dbraw/zinc/71/45/78/543714578.db2.gz FWTBDPHCBUQBLK-UHFFFAOYSA-N -1 3 268.378 3.136 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)c2coc(C3CC3)n2)c1[O-] ZINC000681638925 543798043 /nfs/dbraw/zinc/79/80/43/543798043.db2.gz YCRJKFNRPRJICW-UHFFFAOYSA-N -1 3 292.722 3.472 20 0 CGADHM COc1cc(C(=O)NC2(C)CCC(F)(F)CC2)ccc1[O-] ZINC000682363609 543837108 /nfs/dbraw/zinc/83/71/08/543837108.db2.gz ICZQAZYBCRGHIX-UHFFFAOYSA-N -1 3 299.317 3.099 20 0 CGADHM O=C([N-]c1cnns1)Nc1ccc(C2CC2)cc1 ZINC000683154011 543900183 /nfs/dbraw/zinc/90/01/83/543900183.db2.gz FVTXUNFQXUFAMV-UHFFFAOYSA-N -1 3 260.322 3.060 20 0 CGADHM COc1ccc2[nH]c(NC(=O)c3cccc(C)c3[O-])cc2c1 ZINC000683907304 543953371 /nfs/dbraw/zinc/95/33/71/543953371.db2.gz WNOPFXWUIXJTEK-UHFFFAOYSA-N -1 3 296.326 3.443 20 0 CGADHM Cc1ccc(F)c([N-]C(=O)c2cocn2)c1Br ZINC000684644766 544022922 /nfs/dbraw/zinc/02/29/22/544022922.db2.gz XPSSNEXRVZOXAH-UHFFFAOYSA-N -1 3 299.099 3.137 20 0 CGADHM CCN(Cc1ccccc1C)Cc1ncccc1[O-] ZINC000685410544 544064870 /nfs/dbraw/zinc/06/48/70/544064870.db2.gz SSANUHFXNAUAII-UHFFFAOYSA-N -1 3 256.349 3.118 20 0 CGADHM [O-]c1ccc(F)c(CNCCC[C@@H]2CCCC[C@@H]2O)c1F ZINC000352679691 227155862 /nfs/dbraw/zinc/15/58/62/227155862.db2.gz HOXARQKMXSTIGP-FZMZJTMJSA-N -1 3 299.361 3.091 20 0 CGADHM CCC[C@]1(COC)CCCN1Cc1cc(C)c(C(=O)[O-])o1 ZINC000652441096 418968437 /nfs/dbraw/zinc/96/84/37/418968437.db2.gz OUMUTQXJEJXSKR-MRXNPFEDSA-N -1 3 295.379 3.067 20 0 CGADHM Cc1oc([C@@H](C)N2CCS[C@H](C(C)C)C2)cc1C(=O)[O-] ZINC000652439188 418968672 /nfs/dbraw/zinc/96/86/72/418968672.db2.gz ZXRLTXXQTWOUOK-YGRLFVJLSA-N -1 3 297.420 3.421 20 0 CGADHM C[C@H](CN(CCC(F)(F)F)Cc1ccccc1)C(=O)[O-] ZINC000652456283 418970025 /nfs/dbraw/zinc/97/00/25/418970025.db2.gz PVBGLWPMDSAOFH-LLVKDONJSA-N -1 3 289.297 3.162 20 0 CGADHM O=C([O-])CC1CCN(CCc2ccccc2Cl)CC1 ZINC000652465842 418972182 /nfs/dbraw/zinc/97/21/82/418972182.db2.gz GJGLNHLDYFTZFJ-UHFFFAOYSA-N -1 3 281.783 3.069 20 0 CGADHM C[C@H]1CCC[C@H](C)N1Cc1ccc(F)cc1C(=O)[O-] ZINC000652366997 418957727 /nfs/dbraw/zinc/95/77/27/418957727.db2.gz CAQWBIAVIWVUSF-QWRGUYRKSA-N -1 3 265.328 3.287 20 0 CGADHM CC1=CCN(Cc2oc(-c3ccccc3)nc2C(=O)[O-])CC1 ZINC000652418449 418964988 /nfs/dbraw/zinc/96/49/88/418964988.db2.gz PLYYUNISOHHBGO-UHFFFAOYSA-N -1 3 298.342 3.192 20 0 CGADHM O=c1cc(-c2noc(C3CC4(C3)CCCCC4)n2)nc[n-]1 ZINC000664909901 419025619 /nfs/dbraw/zinc/02/56/19/419025619.db2.gz BLCNHNHMZLQDIJ-UHFFFAOYSA-N -1 3 286.335 3.060 20 0 CGADHM CC(C)CC[C@@H]1CCCCN1C(=O)Cc1cncc([O-])c1 ZINC000655392599 419045902 /nfs/dbraw/zinc/04/59/02/419045902.db2.gz DJWGYBUAIXZSDF-HNNXBMFYSA-N -1 3 290.407 3.147 20 0 CGADHM CCc1ccc(CN(CCC(=O)[O-])Cc2ccccc2)nc1 ZINC000659789503 418990454 /nfs/dbraw/zinc/99/04/54/418990454.db2.gz CSVMQJBRHGWGMF-UHFFFAOYSA-N -1 3 298.386 3.121 20 0 CGADHM Cc1ccc(CN(CCC(=O)[O-])Cc2ccccc2)c(C)n1 ZINC000659790226 418991018 /nfs/dbraw/zinc/99/10/18/418991018.db2.gz OBUQELYHTVHPMC-UHFFFAOYSA-N -1 3 298.386 3.175 20 0 CGADHM CSc1cccnc1[N-]C(=O)c1occ2c1CCC2 ZINC000652877518 418998144 /nfs/dbraw/zinc/99/81/44/418998144.db2.gz BDULTZFAOCZITF-UHFFFAOYSA-N -1 3 274.345 3.138 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N2CC(C)(C)[C@H]2c2ccncc2)n1 ZINC000664830535 419011409 /nfs/dbraw/zinc/01/14/09/419011409.db2.gz WAGFOFJFQJEAAC-SWLSCSKDSA-N -1 3 298.390 3.030 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@H]1C[C@H]1C1CCCC1 ZINC000653035844 419012617 /nfs/dbraw/zinc/01/26/17/419012617.db2.gz CCNWQNCLKWSPJM-STQMWFEESA-N -1 3 275.396 3.028 20 0 CGADHM [O-]c1cc(CN2CC3(CC(F)C3)C2)cc(C(F)(F)F)c1 ZINC000656693635 419204798 /nfs/dbraw/zinc/20/47/98/419204798.db2.gz OVKBXIGGZHHWGB-UHFFFAOYSA-N -1 3 289.272 3.345 20 0 CGADHM O=C([O-])c1ccc(CN2CCC(C3CCC3)CC2)s1 ZINC000656758935 419210696 /nfs/dbraw/zinc/21/06/96/419210696.db2.gz QKQLXIRFWPQVHR-UHFFFAOYSA-N -1 3 279.405 3.458 20 0 CGADHM O=C([O-])[C@@H]1CN(CCCC2CCC2)Cc2ccccc21 ZINC000656757990 419211256 /nfs/dbraw/zinc/21/12/56/419211256.db2.gz XTJWREFUKLFXPQ-MRXNPFEDSA-N -1 3 273.376 3.251 20 0 CGADHM Cc1occc1-c1nnc([N-]Cc2nccn2C(C)C)o1 ZINC000656768321 419213188 /nfs/dbraw/zinc/21/31/88/419213188.db2.gz IYTHEJZRJGYJGI-UHFFFAOYSA-N -1 3 287.323 3.028 20 0 CGADHM Cc1ccc2c(c1)[C@@H](NCc1cccc(C(=O)[O-])c1)CC2 ZINC000666574194 419227076 /nfs/dbraw/zinc/22/70/76/419227076.db2.gz BQIKAHAIBYKBQY-KRWDZBQOSA-N -1 3 281.355 3.470 20 0 CGADHM CCn1c(=O)[n-]nc1SCc1cccc(SC)c1 ZINC000657234107 419234815 /nfs/dbraw/zinc/23/48/15/419234815.db2.gz ISZDFSDSNGUYEK-UHFFFAOYSA-N -1 3 281.406 3.018 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N2CCC[C@H](C3CCC3)C2)n1 ZINC000662042414 419328006 /nfs/dbraw/zinc/32/80/06/419328006.db2.gz GEDVSFHUYFNRAJ-JSGCOSHPSA-N -1 3 275.396 3.064 20 0 CGADHM CC(=O)c1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2C)cc1[O-] ZINC000663132770 419515612 /nfs/dbraw/zinc/51/56/12/419515612.db2.gz UVNXGTDOOOMZFZ-NHYWBVRUSA-N -1 3 289.375 3.246 20 0 CGADHM O=C(c1cc([O-])ccc1Cl)N1CCC2(CC2)CC1 ZINC000377925365 304500059 /nfs/dbraw/zinc/50/00/59/304500059.db2.gz QWLDFYOMCHYBOP-UHFFFAOYSA-N -1 3 265.740 3.062 20 0 CGADHM CC[C@@H](COc1ccc2c([O-])coc2c1)CC(F)F ZINC000664137248 419838752 /nfs/dbraw/zinc/83/87/52/419838752.db2.gz ZBCKNBXCSVQNKP-SECBINFHSA-N -1 3 270.275 3.322 20 0 CGADHM Cc1cc(C(=O)NC[C@@H]2CCCC[C@@H]2C)ccc1[O-] ZINC000227022489 287636868 /nfs/dbraw/zinc/63/68/68/287636868.db2.gz SOOOPBAEOIVLMI-FZMZJTMJSA-N -1 3 261.365 3.257 20 0 CGADHM CCN(Cc1cc([O-])ccc1Br)C1CC1 ZINC000180102676 260093186 /nfs/dbraw/zinc/09/31/86/260093186.db2.gz MGZBSKFQBYKKBI-UHFFFAOYSA-N -1 3 270.170 3.139 20 0 CGADHM C[C@@H]1CCC[C@@H]1CC(=O)Nc1cc(F)ccc1[O-] ZINC000187718363 260163640 /nfs/dbraw/zinc/16/36/40/260163640.db2.gz AGDQVVAFDJGRFJ-NXEZZACHSA-N -1 3 251.301 3.296 20 0 CGADHM [O-]c1ccc(-c2noc(-c3ccc(Cl)o3)n2)cc1 ZINC000225259015 260959450 /nfs/dbraw/zinc/95/94/50/260959450.db2.gz AKJQXSDYGJDFCE-UHFFFAOYSA-N -1 3 262.652 3.356 20 0 CGADHM Cc1cc([C@@H](C)NC(=O)c2cccc(C)c2[O-])c(C)o1 ZINC000044731491 270037620 /nfs/dbraw/zinc/03/76/20/270037620.db2.gz SZPHHKRHKUOLPZ-LLVKDONJSA-N -1 3 273.332 3.401 20 0 CGADHM Cc1ccc(C(=O)N2Cc3ccccc3C2)c([O-])c1C ZINC000106289660 270048280 /nfs/dbraw/zinc/04/82/80/270048280.db2.gz CIDOIKXMANBUJI-UHFFFAOYSA-N -1 3 267.328 3.165 20 0 CGADHM CC[C@@H](CNC(=O)c1cccc([O-])c1)Oc1ccccc1C ZINC000182565529 270054139 /nfs/dbraw/zinc/05/41/39/270054139.db2.gz LQVYMKUCUQAWKT-INIZCTEOSA-N -1 3 299.370 3.288 20 0 CGADHM COc1cccc([C@@H](C)C(=O)Nc2ccccc2[O-])c1 ZINC000193607547 270079310 /nfs/dbraw/zinc/07/93/10/270079310.db2.gz PDMNDJAXHGIWBN-LLVKDONJSA-N -1 3 271.316 3.143 20 0 CGADHM Cc1cccc(C(=O)N(C)c2ccc(F)c(F)c2)c1[O-] ZINC000194236683 270081469 /nfs/dbraw/zinc/08/14/69/270081469.db2.gz OQZMMJNNRKHLQB-UHFFFAOYSA-N -1 3 277.270 3.255 20 0 CGADHM O=C([O-])[C@H](NC/C=C\c1ccccc1)c1ccccc1 ZINC000220027370 270085727 /nfs/dbraw/zinc/08/57/27/270085727.db2.gz AQYMZBKPSAJPJI-BSDKJSHOSA-N -1 3 267.328 3.115 20 0 CGADHM [O-]c1cccc(CN[C@H]2COc3ccccc3C2)c1Cl ZINC000328236955 270095193 /nfs/dbraw/zinc/09/51/93/270095193.db2.gz PZVAQOOPQCMMQI-CYBMUJFWSA-N -1 3 289.762 3.139 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CCc3ccccc32)c1 ZINC000522775815 270107001 /nfs/dbraw/zinc/10/70/01/270107001.db2.gz VGYPXZVPYBCKPZ-UHFFFAOYSA-N -1 3 267.328 3.158 20 0 CGADHM C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000528873927 270175143 /nfs/dbraw/zinc/17/51/43/270175143.db2.gz DMJXYUYPZOSJQT-VXFNFUGZSA-N -1 3 283.755 3.044 20 0 CGADHM C[C@@H]1[C@@H](C(=O)Nc2ccc(Cl)cc2[O-])[C@H]1C1CC1 ZINC000528905580 270175573 /nfs/dbraw/zinc/17/55/73/270175573.db2.gz XFZFHJJQKHMJKE-HAGUPOPPSA-N -1 3 265.740 3.276 20 0 CGADHM CCc1ccc(CN2CCc3occc3[C@@H]2C(=O)[O-])cc1 ZINC000530167509 270195282 /nfs/dbraw/zinc/19/52/82/270195282.db2.gz XEMCUULSQWHAAX-MRXNPFEDSA-N -1 3 285.343 3.026 20 0 CGADHM O=C([O-])CCCCN1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC000530164057 270195455 /nfs/dbraw/zinc/19/54/55/270195455.db2.gz NGTKMQFHWYMUGI-ZDUSSCGKSA-N -1 3 297.345 3.399 20 0 CGADHM O=C([O-])[C@@H]1c2ccoc2CCN1C[C@@H]1CCCCC1(F)F ZINC000530165540 270195463 /nfs/dbraw/zinc/19/54/63/270195463.db2.gz RQDMRTPXHMPVJQ-GWCFXTLKSA-N -1 3 299.317 3.089 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)[C@H](C)C(C)C)c1-c1ccc(C)cc1 ZINC000530271156 270198121 /nfs/dbraw/zinc/19/81/21/270198121.db2.gz AHKHWXCBPDZBEC-GFCCVEGCSA-N -1 3 285.391 3.346 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)[C@]23C[C@H]2CCC3)c1-c1ccccc1F ZINC000530274926 270198265 /nfs/dbraw/zinc/19/82/65/270198265.db2.gz IWGYPNANNJZSGR-PIGZYNQJSA-N -1 3 299.349 3.075 20 0 CGADHM CCc1ccc(C(=O)N2CCC[C@@H]2c2ccccn2)c([O-])c1 ZINC000530324559 270198850 /nfs/dbraw/zinc/19/88/50/270198850.db2.gz YZCXGZFVTCXSDS-MRXNPFEDSA-N -1 3 296.370 3.327 20 0 CGADHM Cn1c(C(=O)Nc2cc(F)ccc2[O-])cc2ccccc21 ZINC000530657438 270201689 /nfs/dbraw/zinc/20/16/89/270201689.db2.gz IXHKVOGVNIKAKF-UHFFFAOYSA-N -1 3 284.290 3.275 20 0 CGADHM CC[C@@H](Nc1ccccc1)C(=O)Nc1cc(F)ccc1[O-] ZINC000530897420 270203680 /nfs/dbraw/zinc/20/36/80/270203680.db2.gz ZLFNZISODCTOIW-CYBMUJFWSA-N -1 3 288.322 3.361 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])[C@@H]1CC12CCCCC2 ZINC000531680192 270208542 /nfs/dbraw/zinc/20/85/42/270208542.db2.gz KODSGHKNMVRBTR-NSHDSACASA-N -1 3 263.312 3.440 20 0 CGADHM CC(C)C[C@@H](CCO)CN=c1[n-]c(C(F)(F)F)cs1 ZINC000532716969 270218818 /nfs/dbraw/zinc/21/88/18/270218818.db2.gz NGSGSGBHANDCCB-SECBINFHSA-N -1 3 296.358 3.040 20 0 CGADHM COc1cc(C)ccc1-c1noc(-c2ccccc2[O-])n1 ZINC000234901583 287648707 /nfs/dbraw/zinc/64/87/07/287648707.db2.gz CHZIQFIWJMPBGS-UHFFFAOYSA-N -1 3 282.299 3.426 20 0 CGADHM CC(=O)c1ncc(C(=O)[N-]c2ncsc2C(C)C)s1 ZINC000415712813 277118939 /nfs/dbraw/zinc/11/89/39/277118939.db2.gz RDXCAVSBNUHBAP-UHFFFAOYSA-N -1 3 295.389 3.178 20 0 CGADHM C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)c1cccc([O-])c1 ZINC000182952912 277806125 /nfs/dbraw/zinc/80/61/25/277806125.db2.gz UUXBFNZXKPHGJG-SJKOYZFVSA-N -1 3 281.355 3.446 20 0 CGADHM Cc1ccsc1-c1noc(-c2ccccc2[O-])n1 ZINC000395506131 288009392 /nfs/dbraw/zinc/00/93/92/288009392.db2.gz YVHAKKNZZWARAX-UHFFFAOYSA-N -1 3 258.302 3.479 20 0 CGADHM CC1(C)CC[C@H]1NC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000287188198 278284350 /nfs/dbraw/zinc/28/43/50/278284350.db2.gz OWVKPQHZAWEBBE-LLVKDONJSA-N -1 3 287.281 3.329 20 0 CGADHM C[C@H]1CCN(C(=O)[C@H]2CCCS2)c2c([O-])cccc21 ZINC000274382289 278361486 /nfs/dbraw/zinc/36/14/86/278361486.db2.gz NGOLAWVXRUZQGY-GXFFZTMASA-N -1 3 277.389 3.128 20 0 CGADHM CC1=CCC[C@H](C)[C@@H]1CNCc1cc(C(=O)[O-])co1 ZINC000276931697 278497707 /nfs/dbraw/zinc/49/77/07/278497707.db2.gz BQYWTTPNLXEBFQ-SMDDNHRTSA-N -1 3 263.337 3.060 20 0 CGADHM Cc1ccc(NC(=O)c2noc3c2C[C@@H](C)CC3)c([O-])c1 ZINC000437007536 278834332 /nfs/dbraw/zinc/83/43/32/278834332.db2.gz ZOFPWSRXXRJJNS-VIFPVBQESA-N -1 3 286.331 3.066 20 0 CGADHM CC(C)C[C@@H]1CCCCN1C(=O)c1cccc([O-])c1 ZINC000357412451 279020963 /nfs/dbraw/zinc/02/09/63/279020963.db2.gz RMTIOMYWHKMTSE-AWEZNQCLSA-N -1 3 261.365 3.433 20 0 CGADHM Cc1conc1[N-]C(=O)c1ccc(Br)s1 ZINC000123640971 279037265 /nfs/dbraw/zinc/03/72/65/279037265.db2.gz MOMIVNRXHHZZOX-UHFFFAOYSA-N -1 3 287.138 3.059 20 0 CGADHM Cc1ccc([O-])c(C(=O)N(C)[C@H]2CCC(C)(C)C2)c1 ZINC000478198607 288108211 /nfs/dbraw/zinc/10/82/11/288108211.db2.gz XUBLYDSTQCTCGD-LBPRGKRZSA-N -1 3 261.365 3.351 20 0 CGADHM CC(C)[C@H](CC(F)(F)F)NCc1ccc(C(=O)[O-])cc1 ZINC000263446345 280229496 /nfs/dbraw/zinc/22/94/96/280229496.db2.gz YABIYBZEECPSDY-LBPRGKRZSA-N -1 3 289.297 3.451 20 0 CGADHM CC(C)[C@@H]1CCN1C(=O)c1cc([O-])cc(Br)c1 ZINC000528968061 288226075 /nfs/dbraw/zinc/22/60/75/288226075.db2.gz HURNENBXAYAVSP-LBPRGKRZSA-N -1 3 298.180 3.025 20 0 CGADHM CCC[C@@H](OCC)C(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000529054701 288230790 /nfs/dbraw/zinc/23/07/90/288230790.db2.gz JAHVGOXHVQCYPC-SWLSCSKDSA-N -1 3 291.391 3.438 20 0 CGADHM COc1c(C)cc(Cl)cc1NC([O-])=NOCC1CC1 ZINC000529238205 288241828 /nfs/dbraw/zinc/24/18/28/288241828.db2.gz PLCLATBPDGZONF-UHFFFAOYSA-N -1 3 284.743 3.120 20 0 CGADHM COc1c(C)cc(Cl)cc1NC(=O)[N-]OCC1CC1 ZINC000529238205 288241833 /nfs/dbraw/zinc/24/18/33/288241833.db2.gz PLCLATBPDGZONF-UHFFFAOYSA-N -1 3 284.743 3.120 20 0 CGADHM O=C([N-]OCCC1CC1)[C@H]1CC[C@@H]1c1ccc(F)cc1 ZINC000529424648 288245968 /nfs/dbraw/zinc/24/59/68/288245968.db2.gz JVRUIAXKDOVGTP-CABCVRRESA-N -1 3 277.339 3.167 20 0 CGADHM CC[C@@H]1OCCC[C@@H]1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000277259067 280578525 /nfs/dbraw/zinc/57/85/25/280578525.db2.gz FWZKCFVUAOSZCX-GWCFXTLKSA-N -1 3 283.755 3.189 20 0 CGADHM CC/C=C/CCN1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC000530170539 288291742 /nfs/dbraw/zinc/29/17/42/288291742.db2.gz TTZQGOUPJXTKRP-ONEGZZNKSA-N -1 3 277.339 3.238 20 0 CGADHM CC1(C)CCN(CCOc2ccc(C(=O)[O-])cc2Cl)C1 ZINC000514945359 281089513 /nfs/dbraw/zinc/08/95/13/281089513.db2.gz WPUGDMXJXCOBND-UHFFFAOYSA-N -1 3 297.782 3.149 20 0 CGADHM C[C@@H](CN(C)Cc1ccc(C(=O)[O-])cn1)C1CCCCC1 ZINC000530173185 288292670 /nfs/dbraw/zinc/29/26/70/288292670.db2.gz NGZWQZLYPIKKQG-ZDUSSCGKSA-N -1 3 290.407 3.428 20 0 CGADHM C[C@H]1CC(F)(F)CCN1Cc1ccccc1C(=O)[O-] ZINC000530173202 288292763 /nfs/dbraw/zinc/29/27/63/288292763.db2.gz NPJGFTGDMXDLAJ-JTQLQIEISA-N -1 3 269.291 3.004 20 0 CGADHM CCc1c(C)nc2ccccc2c1N1CC[C@@](C)(C(=O)[O-])C1 ZINC000263434669 281368678 /nfs/dbraw/zinc/36/86/78/281368678.db2.gz UTTABNGZZSUTRG-GOSISDBHSA-N -1 3 298.386 3.407 20 0 CGADHM Cc1cc(C)c2c(=O)[n-]c(SCC(C)C)nc2n1 ZINC000531012604 288324664 /nfs/dbraw/zinc/32/46/64/288324664.db2.gz PEOCLQMMFOUKNV-UHFFFAOYSA-N -1 3 263.366 3.095 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CC[C@@H](C(C)C)C2)c1 ZINC000531521314 288336935 /nfs/dbraw/zinc/33/69/35/288336935.db2.gz OIHQDIHBGSVWBQ-CYBMUJFWSA-N -1 3 261.365 3.073 20 0 CGADHM CC(C)c1ccc(CCNC(=O)c2c([O-])cccc2O)cc1 ZINC000535801639 288463751 /nfs/dbraw/zinc/46/37/51/288463751.db2.gz WBDSXFOZMNTGSE-UHFFFAOYSA-N -1 3 299.370 3.194 20 0 CGADHM CCc1cc(C(=O)N2CCCCC[C@@H]2C)ccc1[O-] ZINC000362850832 288516728 /nfs/dbraw/zinc/51/67/28/288516728.db2.gz CIABNLQLKCAKMJ-LBPRGKRZSA-N -1 3 261.365 3.359 20 0 CGADHM CCc1ccc([O-])c(C(=O)N(C)[C@H](C)C(C)(C)C)c1 ZINC000539843368 288634791 /nfs/dbraw/zinc/63/47/91/288634791.db2.gz YVHMCCMRBRPOQR-LLVKDONJSA-N -1 3 263.381 3.461 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CC[C@H]2Cc2ccccc2)c1 ZINC000539876997 288636454 /nfs/dbraw/zinc/63/64/54/288636454.db2.gz WBWVGRPVLGUQIB-INIZCTEOSA-N -1 3 295.382 3.412 20 0 CGADHM Cc1cn(C2CCCCC2)[nH]c1=NC(=O)c1cccc([O-])c1 ZINC000544304791 288840675 /nfs/dbraw/zinc/84/06/75/288840675.db2.gz AVHHXBZXEJPWIA-UHFFFAOYSA-N -1 3 299.374 3.077 20 0 CGADHM COc1cc(C)ccc1C(=O)N1CCCc2cccc([O-])c21 ZINC000547717871 288972322 /nfs/dbraw/zinc/97/23/22/288972322.db2.gz AFYOGSMJWGFEPP-UHFFFAOYSA-N -1 3 297.354 3.302 20 0 CGADHM COc1cc(C)ccc1C(=O)Nc1ccc(C)cc1[O-] ZINC000548394450 289003407 /nfs/dbraw/zinc/00/34/07/289003407.db2.gz NTAYBPWMGQEZKO-UHFFFAOYSA-N -1 3 271.316 3.270 20 0 CGADHM CCc1ccc([O-])c(C(=O)N(C)Cc2ccc(F)cc2)c1 ZINC000551832851 289135994 /nfs/dbraw/zinc/13/59/94/289135994.db2.gz GIXXEKMVUHCIBG-UHFFFAOYSA-N -1 3 287.334 3.366 20 0 CGADHM COc1ccccc1CC(=O)Nc1c([O-])cccc1Cl ZINC000552783331 289198837 /nfs/dbraw/zinc/19/88/37/289198837.db2.gz PDDXLEJTVAMFSH-UHFFFAOYSA-N -1 3 291.734 3.235 20 0 CGADHM C[C@H](C(=O)Nc1c([O-])cccc1Cl)c1cccnc1 ZINC000552782419 289198868 /nfs/dbraw/zinc/19/88/68/289198868.db2.gz LNSZMWUOFQOPAS-VIFPVBQESA-N -1 3 276.723 3.183 20 0 CGADHM CCn1nc(C)c(C=Cc2cc(=O)[n-]c(C3CC3)n2)c1C ZINC000554518999 289288888 /nfs/dbraw/zinc/28/88/88/289288888.db2.gz SYKRUNBPSSGCCZ-BQYQJAHWSA-N -1 3 284.363 3.063 20 0 CGADHM CCOC(=O)c1ccc(C(=O)Nc2ccc(C)cc2[O-])cc1 ZINC000554945361 289320566 /nfs/dbraw/zinc/32/05/66/289320566.db2.gz YAWWRRABWGFDRF-UHFFFAOYSA-N -1 3 299.326 3.130 20 0 CGADHM Cc1cc(S(=O)(=O)[N-]C2(C(C)C)CC2)sc1Cl ZINC000555412725 289343789 /nfs/dbraw/zinc/34/37/89/289343789.db2.gz KBOYFFQPRDJAQY-UHFFFAOYSA-N -1 3 293.841 3.177 20 0 CGADHM C[C@H](C(=O)Nc1c([O-])cccc1Cl)C1CCOCC1 ZINC000557182366 289434503 /nfs/dbraw/zinc/43/45/03/289434503.db2.gz OJJVRJYWVUNIDG-VIFPVBQESA-N -1 3 283.755 3.047 20 0 CGADHM COc1nc2ccccc2cc1C=Cc1nc(C)cc(=O)[n-]1 ZINC000558451292 289496865 /nfs/dbraw/zinc/49/68/65/289496865.db2.gz BPUICUHWHZGBIK-BQYQJAHWSA-N -1 3 293.326 3.218 20 0 CGADHM CCC(CC)(CC)CNC(=O)N=c1cc2ccccn2[n-]1 ZINC000558463890 289497937 /nfs/dbraw/zinc/49/79/37/289497937.db2.gz BHBLHKYILLGYKK-UHFFFAOYSA-N -1 3 288.395 3.094 20 0 CGADHM CC(C)(C)CCS(=O)(=O)[N-]c1cccc2c1OCCC2 ZINC000562911928 289742357 /nfs/dbraw/zinc/74/23/57/289742357.db2.gz NJCYXQSMVABWQD-UHFFFAOYSA-N -1 3 297.420 3.190 20 0 CGADHM CO[C@@](C)([C@@H](C)NCc1cccc([O-])c1Cl)C1CC1 ZINC000414500514 294089728 /nfs/dbraw/zinc/08/97/28/294089728.db2.gz LVYKFFHGEDWDJP-BMIGLBTASA-N -1 3 283.799 3.339 20 0 CGADHM COc1cc(C)cc(C(=O)N2CCCc3ccccc32)c1[O-] ZINC000093899947 294962868 /nfs/dbraw/zinc/96/28/68/294962868.db2.gz XNRCMOIDLASYAF-UHFFFAOYSA-N -1 3 297.354 3.302 20 0 CGADHM Cc1cc(C(=O)N2CCS[C@@H]3CCCC[C@@H]32)ccc1[O-] ZINC000272710881 301112531 /nfs/dbraw/zinc/11/25/31/301112531.db2.gz XUPBNXHXVKCEPH-DZGCQCFKSA-N -1 3 291.416 3.201 20 0 CGADHM Cc1cccc2c(=O)c(C(=O)N3CC[C@@H](C)[C@@H]3C)c[n-]c12 ZINC000164473333 302053830 /nfs/dbraw/zinc/05/38/30/302053830.db2.gz NPMHXRZJOMVFFC-PWSUYJOCSA-N -1 3 284.359 3.119 20 0 CGADHM CC(=O)Nc1ccc(C)c(C(=O)Nc2c(C)cccc2[O-])c1 ZINC000188989114 327763656 /nfs/dbraw/zinc/76/36/56/327763656.db2.gz LAXHICFKLVZQME-UHFFFAOYSA-N -1 3 298.342 3.220 20 0 CGADHM CCn1nccc1/C=C/c1ccc2cccc([O-])c2n1 ZINC000152617047 321702938 /nfs/dbraw/zinc/70/29/38/321702938.db2.gz WZAMGWPHYCXFHN-CMDGGOBGSA-N -1 3 265.316 3.327 20 0 CGADHM CC[C@@H](SC)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000153527916 321721720 /nfs/dbraw/zinc/72/17/20/321721720.db2.gz DHORGARKXQEJSV-SNVBAGLBSA-N -1 3 293.310 3.491 20 0 CGADHM CCc1cnccc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000155020605 321755566 /nfs/dbraw/zinc/75/55/66/321755566.db2.gz MXGHVFMOSMTXJD-UHFFFAOYSA-N -1 3 276.723 3.255 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2cccc3[nH]ccc32)c1 ZINC000170776160 321914506 /nfs/dbraw/zinc/91/45/06/321914506.db2.gz GCCQYMWOJUKENB-UHFFFAOYSA-N -1 3 266.300 3.434 20 0 CGADHM O=C([O-])c1ccc2c(c1)CN(CCc1ccccc1F)CC2 ZINC000564460177 322032043 /nfs/dbraw/zinc/03/20/43/322032043.db2.gz AOSYMZOTAZUMGK-UHFFFAOYSA-N -1 3 299.345 3.125 20 0 CGADHM CCc1ccc2nccc(N3CCC(CC(=O)[O-])CC3)c2c1 ZINC000565041740 322056698 /nfs/dbraw/zinc/05/66/98/322056698.db2.gz VFZVODYCENGWHJ-UHFFFAOYSA-N -1 3 298.386 3.488 20 0 CGADHM Cc1ccccc1[C@@H]1CCN(Cc2ccc(C(=O)[O-])cn2)C1 ZINC000565839146 322093715 /nfs/dbraw/zinc/09/37/15/322093715.db2.gz WMKAAXDXJPQLFA-OAHLLOKOSA-N -1 3 296.370 3.078 20 0 CGADHM CC(C)Oc1ccccc1CN1C[C@H](C(=O)[O-])CC[C@H]1C ZINC000566222149 322110259 /nfs/dbraw/zinc/11/02/59/322110259.db2.gz YJARUZXWULKSRL-UKRRQHHQSA-N -1 3 291.391 3.159 20 0 CGADHM COc1ccc(CN2CC[C@H](C)C[C@@H]2C(=O)[O-])cc1Cl ZINC000566567270 322129976 /nfs/dbraw/zinc/12/99/76/322129976.db2.gz YIVKLUZCALYXPT-GXFFZTMASA-N -1 3 297.782 3.034 20 0 CGADHM Cc1oc(C(=O)[O-])cc1CN(C)CCCc1ccccc1 ZINC000566801916 322138933 /nfs/dbraw/zinc/13/89/33/322138933.db2.gz NGEGITLCDDJGQR-UHFFFAOYSA-N -1 3 287.359 3.351 20 0 CGADHM CCC[C@H](C)[C@H]1CCCN1Cc1nc(C(=O)[O-])cs1 ZINC000569250603 322241000 /nfs/dbraw/zinc/24/10/00/322241000.db2.gz AZRVRGISLKXWKQ-CMPLNLGQSA-N -1 3 282.409 3.242 20 0 CGADHM CC(C)n1cc([C@@H](C)NCc2ccc(C(=O)[O-])cc2)cn1 ZINC000570421732 322273346 /nfs/dbraw/zinc/27/33/46/322273346.db2.gz YRBUERDOJJGYIB-GFCCVEGCSA-N -1 3 287.363 3.013 20 0 CGADHM CN(C)c1cccc([C@@H]2CCCN2Cc2ncccc2[O-])c1 ZINC000570556462 322276526 /nfs/dbraw/zinc/27/65/26/322276526.db2.gz KLRULHMHCNVRIX-KRWDZBQOSA-N -1 3 297.402 3.190 20 0 CGADHM CCc1cc(N2CC[C@@H](C(=O)[O-])[C@@H]2C)c2ccccc2n1 ZINC000570725213 322280903 /nfs/dbraw/zinc/28/09/03/322280903.db2.gz PNKGSAZHLHDMLV-WCQYABFASA-N -1 3 284.359 3.097 20 0 CGADHM C[C@H](NC(=O)c1c[n-]nc1-c1ccccn1)C1CCCCC1 ZINC000571576415 322302351 /nfs/dbraw/zinc/30/23/51/322302351.db2.gz YZUWDZPHEDPVFU-LBPRGKRZSA-N -1 3 298.390 3.170 20 0 CGADHM CC[C@H](NCc1ncccc1[O-])c1ccc(OC)cc1 ZINC000572080068 322318943 /nfs/dbraw/zinc/31/89/43/322318943.db2.gz VLBVTXBYDGMPEB-AWEZNQCLSA-N -1 3 272.348 3.037 20 0 CGADHM CC(C)=CCC[C@H](C)Cc1nc(-c2cc(=O)[n-]cn2)no1 ZINC000572242678 322326913 /nfs/dbraw/zinc/32/69/13/322326913.db2.gz XBWABROCNLACPH-NSHDSACASA-N -1 3 288.351 3.157 20 0 CGADHM CN(Cc1cccc(O)c1)C(=O)c1cc([O-])ccc1Cl ZINC000572547803 322343008 /nfs/dbraw/zinc/34/30/08/322343008.db2.gz DKFJDSGJJWPCHW-UHFFFAOYSA-N -1 3 291.734 3.023 20 0 CGADHM CCc1cccc(C(=O)NCC(C)(C)c2ccccn2)c1[O-] ZINC000575086856 322473164 /nfs/dbraw/zinc/47/31/64/322473164.db2.gz XXBWSFBFLYBHHB-UHFFFAOYSA-N -1 3 298.386 3.057 20 0 CGADHM O=c1cc(-c2noc(C(F)=CC3CCCCC3)n2)nc[n-]1 ZINC000582359999 328970626 /nfs/dbraw/zinc/97/06/26/328970626.db2.gz VMKYINAIXAPGKF-UXBLZVDNSA-N -1 3 290.298 3.123 20 0 CGADHM CC(=O)c1cccc(NC(=O)C[C@H]2CC[C@@H](C)C2)c1[O-] ZINC000582610712 329116350 /nfs/dbraw/zinc/11/63/50/329116350.db2.gz VSDGLKHPCGYMAC-PWSUYJOCSA-N -1 3 275.348 3.360 20 0 CGADHM CC1(C)CCN([C@H](C(=O)[O-])c2c(F)cccc2Cl)C1 ZINC000580456431 330140882 /nfs/dbraw/zinc/14/08/82/330140882.db2.gz ARBIMKDGBIVRSA-LBPRGKRZSA-N -1 3 285.746 3.337 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)[C@H](C)c2cccnc2)c1[O-] ZINC000174074771 335147532 /nfs/dbraw/zinc/14/75/32/335147532.db2.gz AMNORLCVNFLQAR-SNVBAGLBSA-N -1 3 290.750 3.491 20 0 CGADHM CCOc1cc(-c2noc(CSC(C)C)n2)ccc1[O-] ZINC000576067581 335148517 /nfs/dbraw/zinc/14/85/17/335148517.db2.gz ONKAGUATFBXNDH-UHFFFAOYSA-N -1 3 294.376 3.483 20 0 CGADHM Cc1ccc(CC(=O)Nc2cc(F)ccc2[O-])cc1 ZINC000174890698 335168565 /nfs/dbraw/zinc/16/85/65/335168565.db2.gz OJEWIWVLJFADFD-UHFFFAOYSA-N -1 3 259.280 3.021 20 0 CGADHM C[C@H](C(=O)Nc1cc(F)ccc1[O-])n1cnc2ccccc21 ZINC000174888992 335168713 /nfs/dbraw/zinc/16/87/13/335168713.db2.gz UJYIRELNAWLYOK-SNVBAGLBSA-N -1 3 299.305 3.081 20 0 CGADHM CCSc1ccc(C(=O)Nc2cc(F)ccc2[O-])cn1 ZINC000174893446 335168879 /nfs/dbraw/zinc/16/88/79/335168879.db2.gz NOHCXGDSDPDUOT-UHFFFAOYSA-N -1 3 292.335 3.291 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])C1(c2ccc(F)cc2)CC1 ZINC000174896161 335168957 /nfs/dbraw/zinc/16/89/57/335168957.db2.gz LIYBXJMCXFVOSR-UHFFFAOYSA-N -1 3 289.281 3.341 20 0 CGADHM C[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1[O-])C1CC1 ZINC000175824817 335205670 /nfs/dbraw/zinc/20/56/70/335205670.db2.gz OMXGCIDPYRZICF-ZETCQYMHSA-N -1 3 273.254 3.396 20 0 CGADHM CN(Cc1cc(C(=O)[O-])ccc1Cl)C(C)(C)C ZINC000576881283 335259829 /nfs/dbraw/zinc/25/98/29/335259829.db2.gz XZBLLZTZKUYZET-UHFFFAOYSA-N -1 3 255.745 3.269 20 0 CGADHM CCCC1CCC(N(C)C(=O)Cc2cncc([O-])c2)CC1 ZINC000576886497 335260749 /nfs/dbraw/zinc/26/07/49/335260749.db2.gz LLQRBRYUVYIUBY-UHFFFAOYSA-N -1 3 290.407 3.147 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CCc3c2cc(F)cc3F)c1 ZINC000192599539 335281341 /nfs/dbraw/zinc/28/13/41/335281341.db2.gz DIYOBZHVSNPNOF-UHFFFAOYSA-N -1 3 289.281 3.182 20 0 CGADHM CC(C)C1(C)CCN(Cc2occc2C(=O)[O-])CC1 ZINC000580575060 335288228 /nfs/dbraw/zinc/28/82/28/335288228.db2.gz WPUQPKIBLQKPFS-UHFFFAOYSA-N -1 3 265.353 3.236 20 0 CGADHM CCS[C@@H]1CC[C@@H](N(C)Cc2cc(C(=O)[O-])oc2C)C1 ZINC000577118087 335303380 /nfs/dbraw/zinc/30/33/80/335303380.db2.gz OFUHGJQPIJPKGH-CHWSQXEVSA-N -1 3 297.420 3.392 20 0 CGADHM CC(C)C[C@H](CNCc1ccc(F)cc1F)CC(=O)[O-] ZINC000577165483 335313142 /nfs/dbraw/zinc/31/31/42/335313142.db2.gz XOLSUOLOOBMMPV-NSHDSACASA-N -1 3 285.334 3.191 20 0 CGADHM Cc1cc(C)c2c(=O)[n-]c(SCc3cccnc3)nc2n1 ZINC000192942675 335324496 /nfs/dbraw/zinc/32/44/96/335324496.db2.gz DFXNEJKUPVKWGR-UHFFFAOYSA-N -1 3 298.371 3.035 20 0 CGADHM CCc1cccc(C(=O)N2Cc3ccc(C)cc3C2)c1[O-] ZINC000577803574 335402009 /nfs/dbraw/zinc/40/20/09/335402009.db2.gz JDTJNDBCNJMAQW-UHFFFAOYSA-N -1 3 281.355 3.419 20 0 CGADHM CCOCc1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000350592010 335517596 /nfs/dbraw/zinc/51/75/96/335517596.db2.gz YFDFOPYISSCBNG-UHFFFAOYSA-N -1 3 270.288 3.132 20 0 CGADHM Cc1cc([C@@H](C)N2CCS[C@H](C(C)C)C2)oc1C(=O)[O-] ZINC000581948957 336175167 /nfs/dbraw/zinc/17/51/67/336175167.db2.gz IIMHRGWOBUTKPD-YPMHNXCESA-N -1 3 297.420 3.421 20 0 CGADHM CCS[C@@H](C(=O)Nc1cccc(C(C)=O)c1[O-])C(C)C ZINC000581965852 336180498 /nfs/dbraw/zinc/18/04/98/336180498.db2.gz ZPENCKFWYLNWNQ-CQSZACIVSA-N -1 3 295.404 3.311 20 0 CGADHM Cc1ccc(C(=O)NC[C@@H]2C[C@H]2c2ccccc2)c([O-])c1 ZINC000436632998 534267492 /nfs/dbraw/zinc/26/74/92/534267492.db2.gz HTMBQVFWNYYTRH-HOCLYGCPSA-N -1 3 281.355 3.234 20 0 CGADHM Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1ccc([O-])c(C)c1 ZINC000436924412 534416414 /nfs/dbraw/zinc/41/64/14/534416414.db2.gz GXBXYHDELIOABB-INIZCTEOSA-N -1 3 281.355 3.426 20 0 CGADHM O=C([O-])Cc1ccccc1CNCc1cccc2[nH]ccc21 ZINC000426710078 534507470 /nfs/dbraw/zinc/50/74/70/534507470.db2.gz HKXNRJSWYDMTKH-UHFFFAOYSA-N -1 3 294.354 3.085 20 0 CGADHM O=C([O-])[C@@H](NC/C=C\c1ccc(F)cc1)c1ccsc1 ZINC000426795006 534513050 /nfs/dbraw/zinc/51/30/50/534513050.db2.gz WLHLCSDIUJQQGI-BOPNBLERSA-N -1 3 291.347 3.316 20 0 CGADHM O=C([O-])[C@@H](NCc1cccc2[nH]ccc21)c1ccc(F)cc1 ZINC000426775559 534515340 /nfs/dbraw/zinc/51/53/40/534515340.db2.gz BMLBLZFVQNSBAZ-INIZCTEOSA-N -1 3 298.317 3.223 20 0 CGADHM O=C([O-])[C@H](Cc1ccccc1)NCc1ccsc1Cl ZINC000426695711 534529825 /nfs/dbraw/zinc/52/98/25/534529825.db2.gz KTRVGKFKRPEJIS-LBPRGKRZSA-N -1 3 295.791 3.187 20 0 CGADHM Cc1cccc(C(=O)NC2CCC3(CC3)CC2)c1[O-] ZINC000437001590 534600907 /nfs/dbraw/zinc/60/09/07/534600907.db2.gz KQUFIGVHZPKPIJ-UHFFFAOYSA-N -1 3 259.349 3.153 20 0 CGADHM Cc1cccc(C(=O)NCC2(c3ccccc3C)CC2)c1[O-] ZINC000436709137 534601875 /nfs/dbraw/zinc/60/18/75/534601875.db2.gz LYKWMVWIBNBNDT-UHFFFAOYSA-N -1 3 295.382 3.471 20 0 CGADHM Cc1cccc(C(=O)NC[C@H]2[C@@H]3c4ccccc4C[C@H]23)c1[O-] ZINC000436601504 534608207 /nfs/dbraw/zinc/60/82/07/534608207.db2.gz IDKGRBVZCKDYLE-BRWVUGGUSA-N -1 3 293.366 3.016 20 0 CGADHM Cc1cccc(C(=O)Nc2ccc3c(c2)C(=O)CCC3)c1[O-] ZINC000436578412 534625739 /nfs/dbraw/zinc/62/57/39/534625739.db2.gz VQKRHXGMEYXYFC-UHFFFAOYSA-N -1 3 295.338 3.472 20 0 CGADHM CCc1cc(C(=O)N(C)Cc2ccc(C)o2)ccc1[O-] ZINC000291514297 523748187 /nfs/dbraw/zinc/74/81/87/523748187.db2.gz XZNQVBXBDXPSIK-UHFFFAOYSA-N -1 3 273.332 3.128 20 0 CGADHM Cc1ccc([O-])c(CN[C@H](C)c2ccccc2C)n1 ZINC000103340715 525354070 /nfs/dbraw/zinc/35/40/70/525354070.db2.gz FYPBOSLIRCHISI-CYBMUJFWSA-N -1 3 256.349 3.255 20 0 CGADHM Cc1ccsc1[C@H](CO)NCc1cccc([O-])c1Cl ZINC000339292235 525891608 /nfs/dbraw/zinc/89/16/08/525891608.db2.gz AWTAZYFFTZIYIO-NSHDSACASA-N -1 3 297.807 3.239 20 0 CGADHM O=C(NCc1ccc([O-])c(F)c1)C1(c2ccccc2)CCC1 ZINC000081959788 526685324 /nfs/dbraw/zinc/68/53/24/526685324.db2.gz HTLSCAVDDMVKOZ-UHFFFAOYSA-N -1 3 299.345 3.269 20 0 CGADHM CC(=O)Nc1ccc(C)cc1NC(=O)c1ccc(C)cc1[O-] ZINC000170805479 526962187 /nfs/dbraw/zinc/96/21/87/526962187.db2.gz DLELWSYLOIWYPI-UHFFFAOYSA-N -1 3 298.342 3.220 20 0 CGADHM O=[S@@](Cc1c(F)cccc1Cl)c1ccc([O-])cc1 ZINC000108084475 527420795 /nfs/dbraw/zinc/42/07/95/527420795.db2.gz AZLKDFSQGWTVFY-GOSISDBHSA-N -1 3 284.739 3.493 20 0 CGADHM CCC1CCC(CNC(=O)Cc2ccc([O-])c(F)c2)CC1 ZINC000448759973 527826677 /nfs/dbraw/zinc/82/66/77/527826677.db2.gz FTCIQHGFQAAQKG-UHFFFAOYSA-N -1 3 293.382 3.406 20 0 CGADHM CCCC(C)(C)CC(=O)NCc1ccc([O-])c(F)c1 ZINC000427060067 527981103 /nfs/dbraw/zinc/98/11/03/527981103.db2.gz DPDKVJLHDWQTQG-UHFFFAOYSA-N -1 3 267.344 3.364 20 0 CGADHM CCCC(C)(C)[N-]S(=O)(=O)c1cc(C)c(F)cc1F ZINC000440402349 527991179 /nfs/dbraw/zinc/99/11/79/527991179.db2.gz QRGRMRUVUZOGKG-UHFFFAOYSA-N -1 3 291.363 3.130 20 0 CGADHM CC1CN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000436642815 528272472 /nfs/dbraw/zinc/27/24/72/528272472.db2.gz VDJHHKTWDHLWBN-UHFFFAOYSA-N -1 3 283.327 3.276 20 0 CGADHM CCCCC[C@H]1CCCN1C(=O)c1csc(=NCC)[n-]1 ZINC000427120738 528275313 /nfs/dbraw/zinc/27/53/13/528275313.db2.gz URWBESGPQBTCAJ-LBPRGKRZSA-N -1 3 295.452 3.182 20 0 CGADHM CCCCOc1ccc(C(=O)N2C[C@H](C)[C@H]2C)c([O-])c1 ZINC000436635206 528662032 /nfs/dbraw/zinc/66/20/32/528662032.db2.gz NCZPAPILZYUWEP-NWDGAFQWSA-N -1 3 277.364 3.052 20 0 CGADHM CCCCOc1ccc(C(=O)N[C@@H]2CCC[C@@H]2F)c([O-])c1 ZINC000436775898 528666787 /nfs/dbraw/zinc/66/67/87/528666787.db2.gz SDVRYFQGDXUEHH-UONOGXRCSA-N -1 3 295.354 3.192 20 0 CGADHM CCOc1ccccc1CCNC(=O)c1cc(C)ccc1[O-] ZINC000436855584 528718794 /nfs/dbraw/zinc/71/87/94/528718794.db2.gz VPUXLPLVHKLTKG-UHFFFAOYSA-N -1 3 299.370 3.072 20 0 CGADHM CCC(CC)[C@H](CCNC(=O)c1ccc([O-])c(C)c1)OC ZINC000436931378 528850657 /nfs/dbraw/zinc/85/06/57/528850657.db2.gz BPZBNHCGKLMACV-INIZCTEOSA-N -1 3 293.407 3.272 20 0 CGADHM CCC[C@@H](C)[C@@H]1CCCN1C(=O)c1cc(OC)ccc1[O-] ZINC000156056717 528903968 /nfs/dbraw/zinc/90/39/68/528903968.db2.gz ACVQZNUWYSBTHH-DOMZBBRYSA-N -1 3 291.391 3.442 20 0 CGADHM CC(C)[C@H](C(=O)[O-])[C@H](C)NCc1ccsc1Cl ZINC000424628407 528931054 /nfs/dbraw/zinc/93/10/54/528931054.db2.gz WVDIRWOEXSAOPJ-WPRPVWTQSA-N -1 3 275.801 3.236 20 0 CGADHM CCC[C@@H](NC(=O)c1ccc(C(C)=O)c([O-])c1)C1CCC1 ZINC000412429903 528991323 /nfs/dbraw/zinc/99/13/23/528991323.db2.gz WEOVZQVPUVSIRQ-OAHLLOKOSA-N -1 3 289.375 3.293 20 0 CGADHM CCC1(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)CCCCC1 ZINC000359016577 529011501 /nfs/dbraw/zinc/01/15/01/529011501.db2.gz HBXXDOVPESOCBT-UHFFFAOYSA-N -1 3 299.378 3.166 20 0 CGADHM CCC1(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)CCCCC1 ZINC000359016577 529011503 /nfs/dbraw/zinc/01/15/03/529011503.db2.gz HBXXDOVPESOCBT-UHFFFAOYSA-N -1 3 299.378 3.166 20 0 CGADHM CCN(C(=O)c1ccccc1[O-])[C@@H]1CCCC[C@@H]1C ZINC000436752057 529092620 /nfs/dbraw/zinc/09/26/20/529092620.db2.gz WTAYKWNSGNYGRS-GXTWGEPZSA-N -1 3 261.365 3.433 20 0 CGADHM CCS[C@H]1CCCCN(C(=O)c2cc(C)ccc2[O-])C1 ZINC000436718775 529225596 /nfs/dbraw/zinc/22/55/96/529225596.db2.gz MLQJGGQNENOURD-ZDUSSCGKSA-N -1 3 293.432 3.448 20 0 CGADHM CCS[C@H]1CCC[C@@H](NC(=O)c2ccc([O-])c(C)c2)C1 ZINC000436927315 529228792 /nfs/dbraw/zinc/22/87/92/529228792.db2.gz RRQMJGBERWSKJG-KGLIPLIRSA-N -1 3 293.432 3.495 20 0 CGADHM CCS[C@H]1CCC[C@H]1NC(=O)c1ccc([O-])c(CC)c1 ZINC000436653492 529231872 /nfs/dbraw/zinc/23/18/72/529231872.db2.gz FHFSJZXWQGKARK-HIFRSBDPSA-N -1 3 293.432 3.359 20 0 CGADHM CCS[C@H]1CC[C@@H](N(C)C(=O)c2cccc(C)c2[O-])C1 ZINC000175392438 529232647 /nfs/dbraw/zinc/23/26/47/529232647.db2.gz LPIYJALJPCKYMG-OLZOCXBDSA-N -1 3 293.432 3.447 20 0 CGADHM CC[C@H]1CCN(C(=O)c2c[n-]c3c(C)cccc3c2=O)C1 ZINC000164739278 529238099 /nfs/dbraw/zinc/23/80/99/529238099.db2.gz PMWCKXSXSXAYRR-LBPRGKRZSA-N -1 3 284.359 3.121 20 0 CGADHM CC[C@H](CC(F)(F)F)NC(=O)c1cccc(C)c1[O-] ZINC000436979341 529316443 /nfs/dbraw/zinc/31/64/43/529316443.db2.gz KPPFDBLZOZRVDV-SECBINFHSA-N -1 3 275.270 3.161 20 0 CGADHM CCCCn1nc(C)c(/C=C\C(=O)[N-]OC(C)C)c1Cl ZINC000493430775 535155144 /nfs/dbraw/zinc/15/51/44/535155144.db2.gz IUXRLPRWHZHOCY-FPLPWBNLSA-N -1 3 299.802 3.114 20 0 CGADHM CCCCn1nc(C)c(/C=C\C(=O)[N-]OCCC)c1Cl ZINC000493460697 535155509 /nfs/dbraw/zinc/15/55/09/535155509.db2.gz MMPHNBDJYSUHJL-FPLPWBNLSA-N -1 3 299.802 3.116 20 0 CGADHM CCCCn1nc(C)c(/C=C/C(=O)[N-]OCCC)c1Cl ZINC000493460696 535156069 /nfs/dbraw/zinc/15/60/69/535156069.db2.gz MMPHNBDJYSUHJL-BQYQJAHWSA-N -1 3 299.802 3.116 20 0 CGADHM CC[C@@H]1CCCN1Cc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000459339138 535820411 /nfs/dbraw/zinc/82/04/11/535820411.db2.gz NFBNQXSLFIPARE-OAHLLOKOSA-N -1 3 283.375 3.224 20 0 CGADHM CCc1cc(C(=O)N[C@H](C)Cc2ccsc2)ccc1[O-] ZINC000517211183 536128591 /nfs/dbraw/zinc/12/85/91/536128591.db2.gz KYZOADPUMPNXND-LLVKDONJSA-N -1 3 289.400 3.377 20 0 CGADHM CCc1cc(C(=O)Nc2ccc3c(C)n[nH]c3c2)ccc1[O-] ZINC000486941079 536134887 /nfs/dbraw/zinc/13/48/87/536134887.db2.gz LPSQMRWCZRRDSU-UHFFFAOYSA-N -1 3 295.342 3.392 20 0 CGADHM O=C([N-][C@@H]1CC[C@H]2CCCC[C@H]2C1)C(F)(F)C(F)F ZINC000749339592 572992308 /nfs/dbraw/zinc/99/23/08/572992308.db2.gz FWOUXKDFTKDRGJ-KXUCPTDWSA-N -1 3 281.293 3.362 20 0 CGADHM CCC[C@@H](Cc1ccccc1)[N-]C(=O)C(F)(F)C(F)F ZINC000749372482 572993999 /nfs/dbraw/zinc/99/39/99/572993999.db2.gz GCNDBVKNYQHBMH-NSHDSACASA-N -1 3 291.288 3.414 20 0 CGADHM O=C(OCc1ccc2ccccc2c1)c1cncc([O-])c1 ZINC000740247849 571729155 /nfs/dbraw/zinc/72/91/55/571729155.db2.gz HPYGITGXNAYZDN-UHFFFAOYSA-N -1 3 279.295 3.297 20 0 CGADHM COc1ccc(NC(=O)c2ccoc2C2CC2)c([O-])c1 ZINC000337087254 571822643 /nfs/dbraw/zinc/82/26/43/571822643.db2.gz IPKYLXDKRCJMDS-UHFFFAOYSA-N -1 3 273.288 3.124 20 0 CGADHM CCCCN(CCCC)C(=O)c1ccc(N)cc1[O-] ZINC000750821997 572328653 /nfs/dbraw/zinc/32/86/53/572328653.db2.gz PUVXDGQRCCESOD-UHFFFAOYSA-N -1 3 264.369 3.017 20 0 CGADHM Cc1ccc(NC(=O)c2cc3occc3[n-]2)c(C)n1 ZINC000750906262 572334120 /nfs/dbraw/zinc/33/41/20/572334120.db2.gz XOMAWVKKOJFCSU-UHFFFAOYSA-N -1 3 255.277 3.025 20 0 CGADHM CCN(C)c1ccccc1CNC(=O)c1cc(C)ccc1[O-] ZINC000730288223 572335583 /nfs/dbraw/zinc/33/55/83/572335583.db2.gz ZJBACXLTPSNQKF-UHFFFAOYSA-N -1 3 298.386 3.087 20 0 CGADHM Cc1noc(C2CC2)c1[N-]C(=O)c1csc(C2CC2)n1 ZINC000183934479 572349976 /nfs/dbraw/zinc/34/99/76/572349976.db2.gz MPOHGWQNQDTQKH-UHFFFAOYSA-N -1 3 289.360 3.447 20 0 CGADHM COc1ccc([C@H](NCc2cc(C)ccc2C)C(=O)[O-])cc1 ZINC000737971915 572363452 /nfs/dbraw/zinc/36/34/52/572363452.db2.gz LTELICKDMPDHPG-KRWDZBQOSA-N -1 3 299.370 3.228 20 0 CGADHM CCCCC[C@@H](C)CC(=O)Nc1nnc(SC)[n-]1 ZINC000742601794 572365736 /nfs/dbraw/zinc/36/57/36/572365736.db2.gz ILUMIEMJULMXSS-SECBINFHSA-N -1 3 270.402 3.072 20 0 CGADHM CCCCC[C@@H](C)CC(=O)Nc1nc(SC)n[n-]1 ZINC000742601794 572365740 /nfs/dbraw/zinc/36/57/40/572365740.db2.gz ILUMIEMJULMXSS-SECBINFHSA-N -1 3 270.402 3.072 20 0 CGADHM CCCCC[C@@H](C)CC(=O)Nc1n[n-]c(SC)n1 ZINC000742601794 572365746 /nfs/dbraw/zinc/36/57/46/572365746.db2.gz ILUMIEMJULMXSS-SECBINFHSA-N -1 3 270.402 3.072 20 0 CGADHM c1ccc(CCSc2ccccc2-c2nnn[n-]2)cc1 ZINC000738432540 572375747 /nfs/dbraw/zinc/37/57/47/572375747.db2.gz INTWAODDJASZCT-UHFFFAOYSA-N -1 3 282.372 3.202 20 0 CGADHM c1ccc(CCSc2ccccc2-c2nn[n-]n2)cc1 ZINC000738432540 572375750 /nfs/dbraw/zinc/37/57/50/572375750.db2.gz INTWAODDJASZCT-UHFFFAOYSA-N -1 3 282.372 3.202 20 0 CGADHM Cc1ccc(CNCCc2ccc(NC(=O)[O-])cc2)o1 ZINC000738603043 572381608 /nfs/dbraw/zinc/38/16/08/572381608.db2.gz OXQWRMTWTDAENX-UHFFFAOYSA-N -1 3 274.320 3.010 20 0 CGADHM O=C([O-])N[C@@H]1CCN(C2c3ccccc3-c3ccccc32)C1 ZINC000740596367 572448221 /nfs/dbraw/zinc/44/82/21/572448221.db2.gz XOVGGODZSOMVDY-GFCCVEGCSA-N -1 3 294.354 3.098 20 0 CGADHM O=C(OCc1cc2ccccc2[nH]c1=O)c1ccc([O-])cc1 ZINC000733389442 572561212 /nfs/dbraw/zinc/56/12/12/572561212.db2.gz USPAZXVILDYVLZ-UHFFFAOYSA-N -1 3 295.294 3.003 20 0 CGADHM CC(C)c1ccc(CCC[N-]C(=O)C(F)(F)F)cc1 ZINC000735063492 572698202 /nfs/dbraw/zinc/69/82/02/572698202.db2.gz XGXVWQGXSNPDTH-UHFFFAOYSA-N -1 3 273.298 3.421 20 0 CGADHM CC(C)CCN(C)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000735803728 572743228 /nfs/dbraw/zinc/74/32/28/572743228.db2.gz JCJYVZXZLJTMHK-UHFFFAOYSA-N -1 3 279.775 3.002 20 0 CGADHM CC(C)CCN(C)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000735803728 572743233 /nfs/dbraw/zinc/74/32/33/572743233.db2.gz JCJYVZXZLJTMHK-UHFFFAOYSA-N -1 3 279.775 3.002 20 0 CGADHM CCC(CC)CNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736345288 572783750 /nfs/dbraw/zinc/78/37/50/572783750.db2.gz HRHSKNZXYVOGBZ-UHFFFAOYSA-N -1 3 279.775 3.368 20 0 CGADHM CCC(CC)CNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736345288 572783752 /nfs/dbraw/zinc/78/37/52/572783752.db2.gz HRHSKNZXYVOGBZ-UHFFFAOYSA-N -1 3 279.775 3.368 20 0 CGADHM CCC[C@H](CC)Nc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000736422756 572789472 /nfs/dbraw/zinc/78/94/72/572789472.db2.gz OZTIBJYNUALMHW-NSHDSACASA-N -1 3 296.378 3.406 20 0 CGADHM CCC[C@H](CC)Nc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000736422756 572789474 /nfs/dbraw/zinc/78/94/74/572789474.db2.gz OZTIBJYNUALMHW-NSHDSACASA-N -1 3 296.378 3.406 20 0 CGADHM C[C@@H](N[C@H]1CCCN(C(=O)[O-])C1)c1ccccc1Cl ZINC000736661035 572803523 /nfs/dbraw/zinc/80/35/23/572803523.db2.gz CNCRTZSPJBZJHL-MNOVXSKESA-N -1 3 282.771 3.133 20 0 CGADHM O=C(OC[C@@H]1CCCS1)c1cc2ccsc2[n-]1 ZINC000745964456 572845105 /nfs/dbraw/zinc/84/51/05/572845105.db2.gz KKBHXFSCMBLQGD-VIFPVBQESA-N -1 3 267.375 3.282 20 0 CGADHM Cc1cc(C)c(/C=C\C(=O)[N-]O[C@@H]2CCCCO2)cc1C ZINC000749620339 573024306 /nfs/dbraw/zinc/02/43/06/573024306.db2.gz QQHUOKYAFOIWAH-ZPUOCTKUSA-N -1 3 289.375 3.199 20 0 CGADHM C[C@H]1CCC[C@H](CC(=O)[N-]OCc2ccccc2)C1 ZINC000749838290 573046169 /nfs/dbraw/zinc/04/61/69/573046169.db2.gz MYXWNNLOZYXGNB-ZFWWWQNUSA-N -1 3 261.365 3.451 20 0 CGADHM COc1csc(C(=O)[N-]c2cnccc2SC)c1 ZINC000750116537 573088949 /nfs/dbraw/zinc/08/89/49/573088949.db2.gz CMKDIUIIYKZKFR-UHFFFAOYSA-N -1 3 280.374 3.126 20 0 CGADHM CC[C@H](C)C[C@H](C)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000820868981 599067517 /nfs/dbraw/zinc/06/75/17/599067517.db2.gz DGLLQNJWMGQKPR-QWRGUYRKSA-N -1 3 259.357 3.103 20 0 CGADHM CC[C@@](C)(CC(=O)[O-])NCc1nc(C(C)(C)C)cs1 ZINC000828671736 602219399 /nfs/dbraw/zinc/21/93/99/602219399.db2.gz GLGKLTLJSVNYCM-AWEZNQCLSA-N -1 3 284.425 3.174 20 0 CGADHM CC(C)[C@@H](C)SCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000820020121 599128821 /nfs/dbraw/zinc/12/88/21/599128821.db2.gz BSXMCNQUZNLCFI-LLVKDONJSA-N -1 3 292.408 3.023 20 0 CGADHM O=C([O-])C[C@H]1CCCN(Cc2cnc(C3CCC3)s2)C1 ZINC000821515616 598152163 /nfs/dbraw/zinc/15/21/63/598152163.db2.gz GWLUOIGTSAWATO-LLVKDONJSA-N -1 3 294.420 3.097 20 0 CGADHM CN(Cc1cccc(F)c1)Cc1ccccc1C(=O)[O-] ZINC000035415382 600555875 /nfs/dbraw/zinc/55/58/75/600555875.db2.gz QLJYNZJBTPCODG-UHFFFAOYSA-N -1 3 273.307 3.156 20 0 CGADHM Cc1cccc([C@H](C)NCc2cccc(OCC(=O)[O-])c2)c1 ZINC000832965827 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ZINC000833780123 604628594 /nfs/dbraw/zinc/62/85/94/604628594.db2.gz QZOFJRHNLGNECB-UHFFFAOYSA-N -1 3 276.380 3.259 20 0 CGADHM C[C@@H](N[C@H](C(=O)[O-])c1cccnc1)c1ccc(Cl)cc1 ZINC000827717903 604985599 /nfs/dbraw/zinc/98/55/99/604985599.db2.gz MSHOQDUPFVLHDR-YGRLFVJLSA-N -1 3 290.750 3.212 20 0 CGADHM Cc1cc(C=Cc2cc(=O)[n-]c(C3CC3)n2)cnc1F ZINC000899373440 620680646 /nfs/dbraw/zinc/68/06/46/620680646.db2.gz JAENKMBXEWKCLM-DJWKRKHSSA-N -1 3 271.295 3.073 20 0 CGADHM C[C@@H]1CC[C@H](N[C@H](C(=O)[O-])c2cccnc2)c2ccccc21 ZINC000833605270 605142300 /nfs/dbraw/zinc/14/23/00/605142300.db2.gz YIZMBPCBEJTFQB-DQYPLSBCSA-N -1 3 296.370 3.436 20 0 CGADHM CC(C)(C)CN[C@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000833430202 605357628 /nfs/dbraw/zinc/35/76/28/605357628.db2.gz JGYDJUHRYVFTHX-NSHDSACASA-N -1 3 273.735 3.241 20 0 CGADHM CC(C)Cc1ncc(CN(C[C@@H](C)C(=O)[O-])C2CC2)s1 ZINC000833491910 605750504 /nfs/dbraw/zinc/75/05/04/605750504.db2.gz AINFSHIQRIROKY-LLVKDONJSA-N -1 3 296.436 3.027 20 0 CGADHM CCCCCC(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821043252 606341303 /nfs/dbraw/zinc/34/13/03/606341303.db2.gz NPQDLQMWCFCRGY-NSHDSACASA-N -1 3 288.351 3.051 20 0 CGADHM CCCCCC(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821043252 606341304 /nfs/dbraw/zinc/34/13/04/606341304.db2.gz NPQDLQMWCFCRGY-NSHDSACASA-N -1 3 288.351 3.051 20 0 CGADHM Cc1ccc(NCc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000822259211 606625942 /nfs/dbraw/zinc/62/59/42/606625942.db2.gz PQFSRDFSFXDXNC-UHFFFAOYSA-N -1 3 279.347 3.096 20 0 CGADHM Cc1ccc(NCc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000822259211 606625944 /nfs/dbraw/zinc/62/59/44/606625944.db2.gz PQFSRDFSFXDXNC-UHFFFAOYSA-N -1 3 279.347 3.096 20 0 CGADHM CC(C)(C)OCCCSc1ccccc1-c1nnn[n-]1 ZINC000819949962 606793607 /nfs/dbraw/zinc/79/36/07/606793607.db2.gz DPAKQWYGTHAIEO-UHFFFAOYSA-N -1 3 292.408 3.164 20 0 CGADHM CC(C)(C)OCCCSc1ccccc1-c1nn[n-]n1 ZINC000819949962 606793609 /nfs/dbraw/zinc/79/36/09/606793609.db2.gz DPAKQWYGTHAIEO-UHFFFAOYSA-N -1 3 292.408 3.164 20 0 CGADHM c1c2ccccc2oc1COc1ccccc1-c1nnn[n-]1 ZINC000823772256 607133916 /nfs/dbraw/zinc/13/39/16/607133916.db2.gz IFJZEXSFRPBMCB-UHFFFAOYSA-N -1 3 292.298 3.192 20 0 CGADHM c1c2ccccc2oc1COc1ccccc1-c1nn[n-]n1 ZINC000823772256 607133917 /nfs/dbraw/zinc/13/39/17/607133917.db2.gz IFJZEXSFRPBMCB-UHFFFAOYSA-N -1 3 292.298 3.192 20 0 CGADHM CCC(CC)Nc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000825107136 607838268 /nfs/dbraw/zinc/83/82/68/607838268.db2.gz LYPWPIMIOOLOQS-UHFFFAOYSA-N -1 3 282.351 3.015 20 0 CGADHM CCC(CC)Nc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000825107136 607838269 /nfs/dbraw/zinc/83/82/69/607838269.db2.gz LYPWPIMIOOLOQS-UHFFFAOYSA-N -1 3 282.351 3.015 20 0 CGADHM CCc1ccc(NCc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000825718002 608751756 /nfs/dbraw/zinc/75/17/56/608751756.db2.gz STFXJTZIOVDIRU-UHFFFAOYSA-N -1 3 293.374 3.350 20 0 CGADHM CCc1ccc(NCc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000825718002 608751758 /nfs/dbraw/zinc/75/17/58/608751758.db2.gz STFXJTZIOVDIRU-UHFFFAOYSA-N -1 3 293.374 3.350 20 0 CGADHM Cc1oc(C(C)(C)C)cc1CN[C@H]1C=CC[C@H](C(=O)[O-])C1 ZINC000900046552 620752111 /nfs/dbraw/zinc/75/21/11/620752111.db2.gz NYNHVNIXFKBWCK-JSGCOSHPSA-N -1 3 291.391 3.395 20 0 CGADHM C[C@H](NCc1cc(Cl)ccc1[O-])C(=O)OC1CCCC1 ZINC000237573756 617876391 /nfs/dbraw/zinc/87/63/91/617876391.db2.gz VGKFZGOBDKDOQU-JTQLQIEISA-N -1 3 297.782 3.010 20 0 CGADHM CN(C)c1ccc(NC(=O)c2cc([O-])ccc2Cl)cc1 ZINC000234272788 618134340 /nfs/dbraw/zinc/13/43/40/618134340.db2.gz XVQKYSFHPRWXRG-UHFFFAOYSA-N -1 3 290.750 3.364 20 0 CGADHM CC(C)C[C@@H](CNCc1ncc(C(C)(C)C)s1)C(=O)[O-] ZINC000263469572 618755798 /nfs/dbraw/zinc/75/57/98/618755798.db2.gz HHVXMKQJUZSCBI-NSHDSACASA-N -1 3 298.452 3.277 20 0 CGADHM C[C@H]1CCC[C@@H](CC(=O)[N-]OCCC(F)(F)F)C1 ZINC000162852671 618883184 /nfs/dbraw/zinc/88/31/84/618883184.db2.gz UCCPAQMDAQBIAL-VHSXEESVSA-N -1 3 267.291 3.203 20 0 CGADHM CCc1nc([C@@H](C)NCc2ccc([O-])c(F)c2)cs1 ZINC000892977495 618968562 /nfs/dbraw/zinc/96/85/62/618968562.db2.gz PATROPCNCUYAQQ-SECBINFHSA-N -1 3 280.368 3.401 20 0 CGADHM CCCCCC(C)(C)C(=O)N1CCCc2c(=O)[n-]cnc21 ZINC000893212991 619030129 /nfs/dbraw/zinc/03/01/29/619030129.db2.gz PMKOQTIKFUCGCY-UHFFFAOYSA-N -1 3 291.395 3.068 20 0 CGADHM C[C@H](NCc1c([O-])ccc(Cl)c1F)c1cccnc1 ZINC000190692764 619196831 /nfs/dbraw/zinc/19/68/31/619196831.db2.gz BQPPIQROWLSPRG-VIFPVBQESA-N -1 3 280.730 3.431 20 0 CGADHM O=C([N-]c1nc(C2CC2)no1)c1ccsc1C(F)F ZINC000895037422 619698420 /nfs/dbraw/zinc/69/84/20/619698420.db2.gz YFTRTIVWDVQZIW-UHFFFAOYSA-N -1 3 285.275 3.198 20 0 CGADHM CC(C)c1noc([N-][C@@H]2CCCc3cccnc32)n1 ZINC000896413842 620004199 /nfs/dbraw/zinc/00/41/99/620004199.db2.gz WZFMEOSEBLEXDR-LLVKDONJSA-N -1 3 258.325 3.078 20 0 CGADHM C[C@@H]1[C@@H](C(F)(F)F)CCN1Cc1cccc(C(=O)[O-])c1 ZINC000263405440 620316786 /nfs/dbraw/zinc/31/67/86/620316786.db2.gz JLZPJWYJMXYUPS-SKDRFNHKSA-N -1 3 287.281 3.158 20 0 CGADHM O=C(CCCCc1ccccc1)[N-]OC/C=C/Cl ZINC000897806629 620435299 /nfs/dbraw/zinc/43/52/99/620435299.db2.gz WAZZBKCYJACHGZ-IZZDOVSWSA-N -1 3 267.756 3.200 20 0 CGADHM C[C@@H](CN1CCn2cccc2[C@H]1C)C(=O)c1ccc([O-])cc1 ZINC000929190623 620540067 /nfs/dbraw/zinc/54/00/67/620540067.db2.gz HAPGITLDCBVKQL-UONOGXRCSA-N -1 3 298.386 3.089 20 0 CGADHM Cc1nnc([N-]c2ccccc2OCC(F)(F)F)o1 ZINC000899248806 620632937 /nfs/dbraw/zinc/63/29/37/620632937.db2.gz ZLJYRJFRFPIWPI-UHFFFAOYSA-N -1 3 273.214 3.063 20 0 CGADHM COCCO[C@@H](C)c1nnc([N-][C@@H](C)c2cccs2)o1 ZINC000901408782 620878084 /nfs/dbraw/zinc/87/80/84/620878084.db2.gz GVARIHSENKTOOB-UWVGGRQHSA-N -1 3 297.380 3.028 20 0 CGADHM COCCO[C@@H](C)c1nnc([N-][C@H](C)c2cccs2)o1 ZINC000901408788 620878097 /nfs/dbraw/zinc/87/80/97/620878097.db2.gz GVARIHSENKTOOB-ZJUUUORDSA-N -1 3 297.380 3.028 20 0 CGADHM CCCc1cc(=O)[n-]c(C(=Cc2nc(C)c(C)[nH]2)CC)n1 ZINC000901498762 620902325 /nfs/dbraw/zinc/90/23/25/620902325.db2.gz NIHYYEXEQLGWCJ-WQLSENKSSA-N -1 3 286.379 3.425 20 0 CGADHM O=C([O-])CC[C@H]1CCCN(Cc2ccc(C(F)F)nc2)C1 ZINC000901553601 620925998 /nfs/dbraw/zinc/92/59/98/620925998.db2.gz WXJZYDRWCWSOSU-LLVKDONJSA-N -1 3 298.333 3.096 20 0 CGADHM CC(C)c1cnc(CNCCCCCC(=O)[O-])s1 ZINC000901558682 620928585 /nfs/dbraw/zinc/92/85/85/620928585.db2.gz NODGZLALBXVQML-UHFFFAOYSA-N -1 3 270.398 3.001 20 0 CGADHM O=C([O-])[C@@H](CC(F)F)NCc1ccc(Cl)cc1Cl ZINC000901814828 621039578 /nfs/dbraw/zinc/03/95/78/621039578.db2.gz WEDXXSMSKWRZOA-SECBINFHSA-N -1 3 298.116 3.191 20 0 CGADHM Cc1cnc(CN[C@@H](CCC(=O)[O-])CC2CCCCC2)o1 ZINC000901905220 621065173 /nfs/dbraw/zinc/06/51/73/621065173.db2.gz XAPMMNBSLTVUQF-AWEZNQCLSA-N -1 3 294.395 3.276 20 0 CGADHM Cc1cc(CN[C@@H](C)CSC(C)(C)C)oc1C(=O)[O-] ZINC000901939955 621070903 /nfs/dbraw/zinc/07/09/03/621070903.db2.gz RXJXKNGIXCWINS-JTQLQIEISA-N -1 3 285.409 3.296 20 0 CGADHM O=C([O-])[C@H]1C[C@H](C2CCCCC2)CN1Cc1ccco1 ZINC000902046419 621115412 /nfs/dbraw/zinc/11/54/12/621115412.db2.gz OERNHQKPYGGZNG-DZGCQCFKSA-N -1 3 277.364 3.135 20 0 CGADHM C[C@@H]1C[C@@H](NCc2c(F)cccc2Cl)CC[C@@H]1C(=O)[O-] ZINC000902096253 621147431 /nfs/dbraw/zinc/14/74/31/621147431.db2.gz DOUMPQHREGPPCB-VWYCJHECSA-N -1 3 299.773 3.458 20 0 CGADHM CCc1nc([C@H](C)N[C@@H]2CC[C@@H](CC(=O)[O-])[C@H]2C)cs1 ZINC000902252242 621208926 /nfs/dbraw/zinc/20/89/26/621208926.db2.gz GEIZIZNEMKRXED-NOOOWODRSA-N -1 3 296.436 3.246 20 0 CGADHM Cc1oc(C(=O)[O-])cc1CNCCOC1CCCCCC1 ZINC000902255165 621210257 /nfs/dbraw/zinc/21/02/57/621210257.db2.gz AIKUOYWSIAVZCT-UHFFFAOYSA-N -1 3 295.379 3.115 20 0 CGADHM CCc1oc(CNCC2=CCCCC2)cc1C(=O)[O-] ZINC000902247021 621219509 /nfs/dbraw/zinc/21/95/09/621219509.db2.gz XMFCXFCRVXWNFB-UHFFFAOYSA-N -1 3 263.337 3.130 20 0 CGADHM O=C([O-])/C=C/c1ccc(CN[C@H]2CCCC(F)(F)C2)o1 ZINC000902306758 621247537 /nfs/dbraw/zinc/24/75/37/621247537.db2.gz DMDVAKKXERQSRQ-PORFMDCZSA-N -1 3 285.290 3.045 20 0 CGADHM CN(Cc1ccc(/C=C/C(=O)[O-])o1)[C@@H]1CCc2ccccc21 ZINC000902510358 621351216 /nfs/dbraw/zinc/35/12/16/621351216.db2.gz VSHQEXPDWAHZLS-QXLXQBSBSA-N -1 3 297.354 3.497 20 0 CGADHM CC[C@H](c1ccncc1)N(C)Cc1ccc(C(=O)[O-])s1 ZINC000903688416 621785491 /nfs/dbraw/zinc/78/54/91/621785491.db2.gz YERMGDIHSRDHSE-CYBMUJFWSA-N -1 3 290.388 3.424 20 0 CGADHM Cc1cc(CN2CCCC[C@H]2CCC(=O)[O-])cnc1Cl ZINC000903695299 621790116 /nfs/dbraw/zinc/79/01/16/621790116.db2.gz UONRTYXQIPPWQZ-ZDUSSCGKSA-N -1 3 296.798 3.263 20 0 CGADHM CC[C@@H](C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-])C(=O)[O-] ZINC000903704911 621793914 /nfs/dbraw/zinc/79/39/14/621793914.db2.gz OHZZEFPIOKHTQU-ZDUSSCGKSA-N -1 3 299.370 3.260 20 0 CGADHM CC(C)CCC[C@@H](NCc1c(F)cccc1F)C(=O)[O-] ZINC000904037747 621857590 /nfs/dbraw/zinc/85/75/90/621857590.db2.gz BDFGAKGDZNZEHM-CQSZACIVSA-N -1 3 285.334 3.334 20 0 CGADHM Cc1cc(CN[C@@H](CC(=O)[O-])c2cccc(C)c2)sn1 ZINC000904045776 621859168 /nfs/dbraw/zinc/85/91/68/621859168.db2.gz NWKJVOVDZNOFHX-AWEZNQCLSA-N -1 3 290.388 3.066 20 0 CGADHM Cc1cccc([C@H](CC(=O)[O-])NCc2cccnc2C)c1 ZINC000904045909 621859172 /nfs/dbraw/zinc/85/91/72/621859172.db2.gz RCWXTIDYBQSZME-INIZCTEOSA-N -1 3 284.359 3.004 20 0 CGADHM Cc1ncsc1CN[C@@H](CC(=O)[O-])c1cccc(C)c1 ZINC000904045389 621859186 /nfs/dbraw/zinc/85/91/86/621859186.db2.gz INJSKDGOMYHDNC-ZDUSSCGKSA-N -1 3 290.388 3.066 20 0 CGADHM CCO[C@@H](c1noc(Cc2ccc([O-])c(F)c2)n1)C(C)C ZINC000904124382 621873796 /nfs/dbraw/zinc/87/37/96/621873796.db2.gz BFCJKWQYXYJDJD-CQSZACIVSA-N -1 3 294.326 3.239 20 0 CGADHM Cc1nc(C(C)C)ccc1CN[C@@H](C(=O)[O-])c1ccccc1 ZINC000905372833 622065149 /nfs/dbraw/zinc/06/51/49/622065149.db2.gz MCNUYQPCSYGJJP-QGZVFWFLSA-N -1 3 298.386 3.429 20 0 CGADHM C[C@@H]1CCc2ccccc2[C@H]1NCc1ccc(C(=O)[O-])cn1 ZINC000905726786 622101172 /nfs/dbraw/zinc/10/11/72/622101172.db2.gz YXVXEYYNFJXSAD-PXAZEXFGSA-N -1 3 296.370 3.193 20 0 CGADHM CCSc1ccccc1CC(=O)[N-]OC/C=C/Cl ZINC000908313090 622340971 /nfs/dbraw/zinc/34/09/71/622340971.db2.gz QGGQPHZHPFOMEM-VMPITWQZSA-N -1 3 285.796 3.141 20 0 CGADHM COc1cccc(COC(=O)c2cc(-c3ccco3)[n-]n2)c1 ZINC000913298956 622754876 /nfs/dbraw/zinc/75/48/76/622754876.db2.gz UYABAVWYGNVYRK-UHFFFAOYSA-N -1 3 298.298 3.035 20 0 CGADHM COc1cccc(COC(=O)c2cc(-c3ccco3)n[n-]2)c1 ZINC000913298956 622754882 /nfs/dbraw/zinc/75/48/82/622754882.db2.gz UYABAVWYGNVYRK-UHFFFAOYSA-N -1 3 298.298 3.035 20 0 CGADHM CC(C)(C)CCOC(=O)c1cc(-c2ccco2)[n-]n1 ZINC000913301958 622756095 /nfs/dbraw/zinc/75/60/95/622756095.db2.gz IBGKWXGWDUEJLU-UHFFFAOYSA-N -1 3 262.309 3.263 20 0 CGADHM CC(C)(C)CCOC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000913301958 622756102 /nfs/dbraw/zinc/75/61/02/622756102.db2.gz IBGKWXGWDUEJLU-UHFFFAOYSA-N -1 3 262.309 3.263 20 0 CGADHM CCC[C@H]1CCC[C@@H]1C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000913356560 622762622 /nfs/dbraw/zinc/76/26/22/622762622.db2.gz ABYHMCQZXBTAGD-RYUDHWBXSA-N -1 3 299.378 3.022 20 0 CGADHM CCC[C@H]1CCC[C@@H]1C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000913356560 622762629 /nfs/dbraw/zinc/76/26/29/622762629.db2.gz ABYHMCQZXBTAGD-RYUDHWBXSA-N -1 3 299.378 3.022 20 0 CGADHM CCN(C(=O)c1cc(OC)ccc1[O-])c1ccc(C)cc1 ZINC000055463889 622828169 /nfs/dbraw/zinc/82/81/69/622828169.db2.gz BEPFMFHIDDMUAR-UHFFFAOYSA-N -1 3 285.343 3.376 20 0 CGADHM CC[C@@H]([N-]C(=O)C(F)(F)C(F)F)c1ccc(C)cc1 ZINC000226598159 622982570 /nfs/dbraw/zinc/98/25/70/622982570.db2.gz OLDPEIQPLYDXIT-SNVBAGLBSA-N -1 3 277.261 3.463 20 0 CGADHM CC1(C)CCCC[C@@H]1CC(=O)[N-]OCc1cccnc1 ZINC000152669118 623699600 /nfs/dbraw/zinc/69/96/00/623699600.db2.gz ZUIXQJHZNWECNF-CQSZACIVSA-N -1 3 276.380 3.236 20 0 CGADHM O=C(CCc1nc2ccccc2o1)[N-]OCc1ccccc1 ZINC000031616428 623723749 /nfs/dbraw/zinc/72/37/49/623723749.db2.gz QNCQDTHVCOZBIB-UHFFFAOYSA-N -1 3 296.326 3.008 20 0 CGADHM Cc1c([O-])ccc2c(CN(C)Cc3ccoc3)cc(=O)oc12 ZINC000918739206 624373287 /nfs/dbraw/zinc/37/32/87/624373287.db2.gz YTTFYUKJVVZTGN-UHFFFAOYSA-N -1 3 299.326 3.032 20 0 CGADHM C[C@@H](OC(=O)c1ccc([O-])cc1)c1ccccc1F ZINC000918852274 624379133 /nfs/dbraw/zinc/37/91/33/624379133.db2.gz NLBMFZBSDHSELP-SNVBAGLBSA-N -1 3 260.264 3.449 20 0 CGADHM CCCCC[C@H](C)NC(=O)NCc1ccc([O-])c(F)c1 ZINC000155036312 624414492 /nfs/dbraw/zinc/41/44/92/624414492.db2.gz OONMPSIQWYYDAX-NSHDSACASA-N -1 3 282.359 3.299 20 0 CGADHM C[C@@H]1CCCC[C@@H]1CC(=O)[N-]OCc1ccccc1 ZINC000920430759 624500646 /nfs/dbraw/zinc/50/06/46/624500646.db2.gz AISZTQMYPXJFQE-UKRRQHHQSA-N -1 3 261.365 3.451 20 0 CGADHM CC(=O)[N-]O[C@@H](C)c1ncc(-c2ccc(Cl)cc2)o1 ZINC000180796552 624772119 /nfs/dbraw/zinc/77/21/19/624772119.db2.gz ONWYLRHAPAPCSS-QMMMGPOBSA-N -1 3 280.711 3.124 20 0 CGADHM O=C([O-])[C@H]1CCCCCN1Cc1ccc(F)cc1Cl ZINC000080991746 625188333 /nfs/dbraw/zinc/18/83/33/625188333.db2.gz UGECVOYEPIECHA-CYBMUJFWSA-N -1 3 285.746 3.308 20 0 CGADHM Cc1ccc(C(=O)N2CCCCCCCC2)c([O-])c1 ZINC000322037262 626096187 /nfs/dbraw/zinc/09/61/87/626096187.db2.gz IRGUWUWXCZAEDX-UHFFFAOYSA-N -1 3 261.365 3.497 20 0 CGADHM O=C(COC(=O)c1ccc([O-])cc1)c1ccc(Cl)s1 ZINC000003562787 626226605 /nfs/dbraw/zinc/22/66/05/626226605.db2.gz VZMFDWSOPHVXMO-UHFFFAOYSA-N -1 3 296.731 3.147 20 0 CGADHM CN(C(=O)c1cc2sccc2c([O-])c1)C1CCC1 ZINC000788304723 626228080 /nfs/dbraw/zinc/22/80/80/626228080.db2.gz IEWIYEKLSFUCAD-UHFFFAOYSA-N -1 3 261.346 3.231 20 0 CGADHM Nc1ccc(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c([O-])c1 ZINC000753263389 626449356 /nfs/dbraw/zinc/44/93/56/626449356.db2.gz RSJAZKQQMCHUFC-OUCADQQQSA-N -1 3 288.391 3.063 20 0 CGADHM O=C(Cc1cccc(C2CC2)c1)[N-]OCc1ccc(F)cc1 ZINC000839726751 626783353 /nfs/dbraw/zinc/78/33/53/626783353.db2.gz SBKWPGBNDNELIJ-UHFFFAOYSA-N -1 3 299.345 3.494 20 0 CGADHM CC(C)(Cc1cccc(Cl)c1)C(=O)[N-]OCC(F)F ZINC000759336082 626888309 /nfs/dbraw/zinc/88/83/09/626888309.db2.gz CCSMXPVAKUXECB-UHFFFAOYSA-N -1 3 291.725 3.222 20 0 CGADHM O=C(CCCCCc1cccs1)[N-]OCC(F)F ZINC000759338902 626889199 /nfs/dbraw/zinc/88/91/99/626889199.db2.gz NDXXKRBORGLXFB-UHFFFAOYSA-N -1 3 277.336 3.164 20 0 CGADHM Cc1ccc([C@H](C)C(=O)Nc2cccc([O-])c2F)o1 ZINC000762316902 627105299 /nfs/dbraw/zinc/10/52/99/627105299.db2.gz HZJLWJQDESNNTI-VIFPVBQESA-N -1 3 263.268 3.175 20 0 CGADHM COc1ccc(C=Cc2nccc(=O)[n-]2)c(Cl)c1 ZINC000764443785 627207881 /nfs/dbraw/zinc/20/78/81/627207881.db2.gz XWAKIIAUHPIIQD-HYXAFXHYSA-N -1 3 262.696 3.015 20 0 CGADHM Cc1cc(=O)[n-]c(CSCc2cnc(Cl)s2)n1 ZINC000764654364 627216539 /nfs/dbraw/zinc/21/65/39/627216539.db2.gz MJTMXFYRSBMAHQ-UHFFFAOYSA-N -1 3 287.797 3.034 20 0 CGADHM O=C(OCCC(Cl)(Cl)Cl)c1ccc([O-])cc1 ZINC000767427327 627407939 /nfs/dbraw/zinc/40/79/39/627407939.db2.gz UUABKTHSSXJISA-UHFFFAOYSA-N -1 3 283.538 3.309 20 0 CGADHM CCc1cccc(C(=O)N[C@H](c2ccccn2)C(C)C)c1[O-] ZINC000769888959 627587315 /nfs/dbraw/zinc/58/73/15/627587315.db2.gz PAHCYXNULTZQPX-INIZCTEOSA-N -1 3 298.386 3.477 20 0 CGADHM CC(C)c1nsc([N-]C(=O)c2coc(C(F)F)c2)n1 ZINC000874692791 634593239 /nfs/dbraw/zinc/59/32/39/634593239.db2.gz GJSGBCGMJYOAFK-UHFFFAOYSA-N -1 3 287.291 3.444 20 0 CGADHM CC(=O)CCCCCCC(=O)Nc1cccc([O-])c1F ZINC000772837251 627827866 /nfs/dbraw/zinc/82/78/66/627827866.db2.gz LBCKQWOLBFAJMB-UHFFFAOYSA-N -1 3 281.327 3.399 20 0 CGADHM Cc1cc(C)cc(CCC(=O)[N-]Oc2ccccc2)c1 ZINC000773460049 627885615 /nfs/dbraw/zinc/88/56/15/627885615.db2.gz FFKMQZPZQJIRJE-UHFFFAOYSA-N -1 3 269.344 3.346 20 0 CGADHM O=C(CCc1c[nH]c2ccccc12)[N-]Oc1ccccc1 ZINC000773461393 627886026 /nfs/dbraw/zinc/88/60/26/627886026.db2.gz KUDPFQGFDVQFJA-UHFFFAOYSA-N -1 3 280.327 3.211 20 0 CGADHM O=C(Nc1ccc(Cl)cc1[O-])C1(F)CCCC1 ZINC000773495504 627890197 /nfs/dbraw/zinc/89/01/97/627890197.db2.gz DHHQDLFKKJDFMU-UHFFFAOYSA-N -1 3 257.692 3.266 20 0 CGADHM O=C(CCCOc1ccccc1Cl)[N-]OC1CCCC1 ZINC000774868524 628044600 /nfs/dbraw/zinc/04/46/00/628044600.db2.gz PKUOATYOEFOWKU-UHFFFAOYSA-N -1 3 297.782 3.489 20 0 CGADHM O=C(C[C@H]1CCc2ccccc2C1)[N-]OC1CCCC1 ZINC000774875698 628046370 /nfs/dbraw/zinc/04/63/70/628046370.db2.gz PRKZLKYETHSVPS-ZDUSSCGKSA-N -1 3 273.376 3.172 20 0 CGADHM Cc1cc(=O)[n-]c(CN[C@H](C)c2ccc(F)cc2Cl)n1 ZINC000775445221 628095833 /nfs/dbraw/zinc/09/58/33/628095833.db2.gz OCAXKIRXJLYFPB-SECBINFHSA-N -1 3 295.745 3.134 20 0 CGADHM Cc1nc(COC(=O)c2cccc(Cl)c2[O-])cs1 ZINC000775928342 628149849 /nfs/dbraw/zinc/14/98/49/628149849.db2.gz CCAATKHARIJLLD-UHFFFAOYSA-N -1 3 283.736 3.168 20 0 CGADHM Cc1ccc(OCCC(=O)[N-]OC2CCCCC2)c(C)c1 ZINC000777959798 628314598 /nfs/dbraw/zinc/31/45/98/628314598.db2.gz DMEANAUGIVVVIA-UHFFFAOYSA-N -1 3 291.391 3.453 20 0 CGADHM O=C(Cc1ccc(Cl)cc1)[N-]OC1CCCCC1 ZINC000777963193 628315741 /nfs/dbraw/zinc/31/57/41/628315741.db2.gz UBRBRKFEKUVRNZ-UHFFFAOYSA-N -1 3 267.756 3.263 20 0 CGADHM CCOc1ccc(CC(=O)[N-]OC2CCCCC2)cc1 ZINC000777964576 628315805 /nfs/dbraw/zinc/31/58/05/628315805.db2.gz LNVRGUKQBWPLLH-UHFFFAOYSA-N -1 3 277.364 3.008 20 0 CGADHM COc1cccc(CCC(=O)[N-]OC2CCCCC2)c1 ZINC000777963753 628315919 /nfs/dbraw/zinc/31/59/19/628315919.db2.gz YZQXZHFOAPLNDY-UHFFFAOYSA-N -1 3 277.364 3.008 20 0 CGADHM Cc1noc(C)c1[C@@H](C)CC(=O)[N-]Oc1ccccc1F ZINC000874911547 634651010 /nfs/dbraw/zinc/65/10/10/634651010.db2.gz LGCPLYKBYJRSKP-VIFPVBQESA-N -1 3 292.310 3.034 20 0 CGADHM Cc1cc(C=C2SC(=O)[N-]C2=O)ccc1Br ZINC000874927634 634652931 /nfs/dbraw/zinc/65/29/31/634652931.db2.gz KPODFUDQYHVMNN-UITAMQMPSA-N -1 3 298.161 3.081 20 0 CGADHM O=C(NOC1CCCCC1)c1ccc2c(c1[O-])CCCC2 ZINC000779317826 628407714 /nfs/dbraw/zinc/40/77/14/628407714.db2.gz UADQXYXHTVRJNZ-UHFFFAOYSA-N -1 3 289.375 3.265 20 0 CGADHM O=C(OCc1cc(F)cc(F)c1)c1ccc([O-])cc1 ZINC000782240224 628628938 /nfs/dbraw/zinc/62/89/38/628628938.db2.gz MXOXSDDYEJWQOF-UHFFFAOYSA-N -1 3 264.227 3.027 20 0 CGADHM C[C@H]1C[C@H](CO[N-]C(=O)CCC2CCCCC2)CCO1 ZINC000783025956 628673766 /nfs/dbraw/zinc/67/37/66/628673766.db2.gz CNEHBOTVLAQIIR-DZGCQCFKSA-N -1 3 283.412 3.210 20 0 CGADHM O=C(OC/C=C/c1ccc(Cl)cc1)c1cncc([O-])c1 ZINC000787704453 629023179 /nfs/dbraw/zinc/02/31/79/629023179.db2.gz YKPJMMGPWJEEQG-OWOJBTEDSA-N -1 3 289.718 3.311 20 0 CGADHM O=C(CCCc1ccc([O-])c(F)c1)OCC1CCC1 ZINC000787845619 629032662 /nfs/dbraw/zinc/03/26/62/629032662.db2.gz QBMLIVDKBZRELG-UHFFFAOYSA-N -1 3 266.312 3.197 20 0 CGADHM O=c1ccnc(C=Cc2ccc(OCC3CC3)cc2)[n-]1 ZINC000790218784 629194969 /nfs/dbraw/zinc/19/49/69/629194969.db2.gz CCONIIAVHPLVCP-VMPITWQZSA-N -1 3 268.316 3.141 20 0 CGADHM CC(C)CCCCCCNC(=O)NCc1ncccc1[O-] ZINC000791973903 629325422 /nfs/dbraw/zinc/32/54/22/629325422.db2.gz OPWYVKLOCYLONV-UHFFFAOYSA-N -1 3 293.411 3.193 20 0 CGADHM CC(C)(CC(=O)[N-]OC1CCOCC1)C1CCCCC1 ZINC000793844957 629505293 /nfs/dbraw/zinc/50/52/93/629505293.db2.gz SQJKIVVERQHILY-UHFFFAOYSA-N -1 3 283.412 3.210 20 0 CGADHM CCCCCC(C)(C)C(=O)Nc1cnc(C(=O)OCC)[n-]1 ZINC000793963251 629509420 /nfs/dbraw/zinc/50/94/20/629509420.db2.gz HZFXEZCPFQNVNH-UHFFFAOYSA-N -1 3 295.383 3.131 20 0 CGADHM CCCCCC(C)(C)C(=O)Nc1c[n-]c(C(=O)OCC)n1 ZINC000793963251 629509424 /nfs/dbraw/zinc/50/94/24/629509424.db2.gz HZFXEZCPFQNVNH-UHFFFAOYSA-N -1 3 295.383 3.131 20 0 CGADHM O=C(c1cc2sccc2c([O-])c1)N1CC(C2CC2)C1 ZINC000794496457 629547400 /nfs/dbraw/zinc/54/74/00/629547400.db2.gz BHRZFSIQHPMASG-UHFFFAOYSA-N -1 3 273.357 3.089 20 0 CGADHM CCOc1c(Cl)cccc1CC(=O)[N-]OC[C@@H](C)CC ZINC000794848655 629587883 /nfs/dbraw/zinc/58/78/83/629587883.db2.gz DXHPGULBRUGIPH-NSHDSACASA-N -1 3 299.798 3.375 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)C[C@@H](C)Cc1ccccc1OC ZINC000794849609 629587945 /nfs/dbraw/zinc/58/79/45/629587945.db2.gz BYIDXXLQVVGXFZ-KGLIPLIRSA-N -1 3 293.407 3.358 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)Cc1cccc(C(F)F)c1 ZINC000794855326 629589097 /nfs/dbraw/zinc/58/90/97/629589097.db2.gz ZPWKAVQGNSJJFR-SNVBAGLBSA-N -1 3 271.307 3.261 20 0 CGADHM COc1ccc(CNCc2cccc(CCC(=O)[O-])c2)cc1 ZINC000864518010 629851072 /nfs/dbraw/zinc/85/10/72/629851072.db2.gz TUGPMWVSCKOJOI-UHFFFAOYSA-N -1 3 299.370 3.002 20 0 CGADHM CC(C)(C)c1csc(CNC[C@@H](CC2CC2)C(=O)[O-])n1 ZINC000864517610 629851111 /nfs/dbraw/zinc/85/11/11/629851111.db2.gz YDQQZYIACXKDOO-LLVKDONJSA-N -1 3 296.436 3.031 20 0 CGADHM COc1ccccc1CO[N-]C(=O)C[C@H]1CCC[C@H]1C ZINC000799092612 630142207 /nfs/dbraw/zinc/14/22/07/630142207.db2.gz XPOMHTJJMVLYHW-CHWSQXEVSA-N -1 3 277.364 3.069 20 0 CGADHM CC(C)O[N-]C(=O)C(C)(C)Cc1cccc(Cl)c1 ZINC000836799497 634804879 /nfs/dbraw/zinc/80/48/79/634804879.db2.gz UFZNNANCMLFPMA-UHFFFAOYSA-N -1 3 269.772 3.365 20 0 CGADHM CO[C@@H](COC(=O)c1cc2occc2[n-]1)c1ccccc1 ZINC000801862485 630361271 /nfs/dbraw/zinc/36/12/71/630361271.db2.gz SOVIRZZIGSUVRW-HNNXBMFYSA-N -1 3 285.299 3.305 20 0 CGADHM Cc1ccc(C(=O)Nc2nccc3ccncc32)c([O-])c1C ZINC000802615746 630400329 /nfs/dbraw/zinc/40/03/29/630400329.db2.gz HSAWETRPXXPBFB-UHFFFAOYSA-N -1 3 293.326 3.205 20 0 CGADHM CC[C@@H](C)CCC(=O)[N-]OCc1ccccc1OC ZINC000803241758 630457350 /nfs/dbraw/zinc/45/73/50/630457350.db2.gz ZDMAZYHOBUZUHO-GFCCVEGCSA-N -1 3 265.353 3.069 20 0 CGADHM CC/C=C/CCOC(=O)c1n[n-]c2c1cccc2OC ZINC000808674386 630663375 /nfs/dbraw/zinc/66/33/75/630663375.db2.gz RRFCKQXPOUJFFB-SNAWJCMRSA-N -1 3 274.320 3.085 20 0 CGADHM CC/C=C/CCOC(=O)c1[n-]nc2c1cccc2OC ZINC000808674386 630663376 /nfs/dbraw/zinc/66/33/76/630663376.db2.gz RRFCKQXPOUJFFB-SNAWJCMRSA-N -1 3 274.320 3.085 20 0 CGADHM Cc1nc(SCc2cc(=O)[n-]c(C3CC3)n2)sc1C ZINC000840198891 630869393 /nfs/dbraw/zinc/86/93/93/630869393.db2.gz GZJWLPUPAKTNDC-UHFFFAOYSA-N -1 3 293.417 3.425 20 0 CGADHM COCC1(COC(=O)c2cc(Cl)c(Cl)[n-]2)CCC1 ZINC000811062814 631020817 /nfs/dbraw/zinc/02/08/17/631020817.db2.gz HKJNGXZBARPSDY-UHFFFAOYSA-N -1 3 292.162 3.295 20 0 CGADHM O=C(CCCc1ccccc1Cl)[N-]OC/C=C\Cl ZINC000812399214 631244254 /nfs/dbraw/zinc/24/42/54/631244254.db2.gz KCYKECMVXIJMQM-WTKPLQERSA-N -1 3 288.174 3.463 20 0 CGADHM C[C@@H]1C[C@H]1c1ccc(CCC(=O)[N-]OC/C=C/Cl)o1 ZINC000812406986 631247399 /nfs/dbraw/zinc/24/73/99/631247399.db2.gz UBIGTBVCWRBBGN-JFHYEFJTSA-N -1 3 283.755 3.136 20 0 CGADHM COC(=O)c1cc(C(=O)Oc2ccccc2C(C)C)c[n-]1 ZINC000815902806 631832800 /nfs/dbraw/zinc/83/28/00/631832800.db2.gz SAUQMZNQUXWKAL-UHFFFAOYSA-N -1 3 287.315 3.144 20 0 CGADHM C[C@@H](CC(=O)[N-]OCCC1CC1)c1ccccc1F ZINC000817403367 632138838 /nfs/dbraw/zinc/13/88/38/632138838.db2.gz FWUPWMBRHZKIGJ-NSHDSACASA-N -1 3 265.328 3.167 20 0 CGADHM O=C(CCCc1cc(F)ccc1F)[N-]OCCC1CC1 ZINC000817437386 632157111 /nfs/dbraw/zinc/15/71/11/632157111.db2.gz LEDDZQPWPHIIOI-UHFFFAOYSA-N -1 3 283.318 3.135 20 0 CGADHM Cc1ccc([C@H]2CCCN2C(=O)c2ccc(N)cc2[O-])cc1 ZINC000817913384 632234086 /nfs/dbraw/zinc/23/40/86/632234086.db2.gz ZHWMERHGBRFPON-MRXNPFEDSA-N -1 3 296.370 3.260 20 0 CGADHM CC(C)N(Cc1cccs1)C(=O)c1ccc(N)cc1[O-] ZINC000817915770 632235200 /nfs/dbraw/zinc/23/52/00/632235200.db2.gz RADOSEWYWXIHJE-UHFFFAOYSA-N -1 3 290.388 3.087 20 0 CGADHM CCCO[N-]C(=O)C[C@@H](C)C(=O)c1ccc(Cl)cc1 ZINC000844084885 635817204 /nfs/dbraw/zinc/81/72/04/635817204.db2.gz DEIMEYGFWDHJDS-SNVBAGLBSA-N -1 3 283.755 3.007 20 0 CGADHM CC[C@@H](CC(=O)[N-]OCCC(F)(F)F)C(C)(C)C ZINC000867550527 633252289 /nfs/dbraw/zinc/25/22/89/633252289.db2.gz MXYYMIJMRQVIGB-VIFPVBQESA-N -1 3 269.307 3.449 20 0 CGADHM C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)Nc1c([O-])cccc1Cl ZINC000868565609 633336482 /nfs/dbraw/zinc/33/64/82/633336482.db2.gz BTCPCAYHVJLWGH-KATARQTJSA-N -1 3 265.740 3.276 20 0 CGADHM [O-]c1ccc(F)c(CN2CCC[C@H](CCF)C2)c1F ZINC000827270535 633477058 /nfs/dbraw/zinc/47/70/58/633477058.db2.gz AJDUCGCYICUBSL-SNVBAGLBSA-N -1 3 273.298 3.242 20 0 CGADHM O=C(CC(F)(F)C(F)(F)F)Nc1cccc([O-])c1F ZINC000867058510 633660100 /nfs/dbraw/zinc/66/01/00/633660100.db2.gz FYTRCLDJSDJJAG-UHFFFAOYSA-N -1 3 287.159 3.058 20 0 CGADHM C[C@@]1(CC(=O)[N-]OC2CCCCC2)CC1(Cl)Cl ZINC000829053296 633684829 /nfs/dbraw/zinc/68/48/29/633684829.db2.gz XTPYWFVIAQQYMT-LLVKDONJSA-N -1 3 280.195 3.341 20 0 CGADHM CC(C)Oc1ncccc1[N-]S(=O)(=O)C1=CCCCC1 ZINC000829737208 633771597 /nfs/dbraw/zinc/77/15/97/633771597.db2.gz VTXAFEIDTYXUDO-UHFFFAOYSA-N -1 3 296.392 3.068 20 0 CGADHM CCC1(C(=O)[N-]OCC(C)C)CCC(F)(F)CC1 ZINC000830892902 633895352 /nfs/dbraw/zinc/89/53/52/633895352.db2.gz AKBXTWWBJBZSSQ-UHFFFAOYSA-N -1 3 263.328 3.296 20 0 CGADHM CCc1[n-]n(-c2ccnc(Cl)c2)c(=O)c1C(C)C ZINC000871953083 633925026 /nfs/dbraw/zinc/92/50/26/633925026.db2.gz AEOLOYJIPKSJFH-LBPRGKRZSA-N -1 3 265.744 3.120 20 0 CGADHM CCc1nn(C)cc1N[C@@H](C)c1cccc([O-])c1F ZINC000872058769 633981331 /nfs/dbraw/zinc/98/13/31/633981331.db2.gz YPXGYGUZWMZBQI-VIFPVBQESA-N -1 3 263.316 3.000 20 0 CGADHM CCCc1ncc(CN[C@H](C)c2cccc([O-])c2F)o1 ZINC000872077083 634000177 /nfs/dbraw/zinc/00/01/77/634000177.db2.gz YGGNGFRAVUCGIH-SNVBAGLBSA-N -1 3 278.327 3.323 20 0 CGADHM Cc1ccc(CN[C@H](C)c2cccc([O-])c2F)nc1C ZINC000872080224 634004428 /nfs/dbraw/zinc/00/44/28/634004428.db2.gz UMAIJAQLMBGXHL-GFCCVEGCSA-N -1 3 274.339 3.394 20 0 CGADHM Cc1nccnc1[C@@H](C)N[C@H](C)c1cccc([O-])c1F ZINC000872130804 634052076 /nfs/dbraw/zinc/05/20/76/634052076.db2.gz MEGUNDQWZCTAHN-MWLCHTKSSA-N -1 3 275.327 3.042 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2ccccc2C(C)C)n1 ZINC000834686585 634219870 /nfs/dbraw/zinc/21/98/70/634219870.db2.gz IRPYYLUNIHWJGL-UHFFFAOYSA-N -1 3 270.332 3.471 20 0 CGADHM CO[N-]C(=O)/C(=C/c1ccc(F)cc1)c1cccs1 ZINC000876480511 634842156 /nfs/dbraw/zinc/84/21/56/634842156.db2.gz QBWXWCAWTSVSMW-FMIVXFBMSA-N -1 3 277.320 3.105 20 0 CGADHM CCCCC(=O)OCc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000837337085 634890645 /nfs/dbraw/zinc/89/06/45/634890645.db2.gz OYSJYQYZKIWZEQ-UHFFFAOYSA-N -1 3 286.331 3.083 20 0 CGADHM CC1(C)CCC[C@@H](OC(=O)c2cc3occc3[n-]2)C1=O ZINC000840523567 635019034 /nfs/dbraw/zinc/01/90/34/635019034.db2.gz NFKDTVZHVOKDBB-LLVKDONJSA-N -1 3 275.304 3.066 20 0 CGADHM CCCCCCOCC(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000843886071 635792029 /nfs/dbraw/zinc/79/20/29/635792029.db2.gz LRESRICHDJFGNJ-UHFFFAOYSA-N -1 3 293.363 3.130 20 0 CGADHM COc1cccc(CO[N-]C(=O)CCCc2ccccc2)c1 ZINC000127830131 635806909 /nfs/dbraw/zinc/80/69/09/635806909.db2.gz DMADTNRJUGEVFL-UHFFFAOYSA-N -1 3 299.370 3.266 20 0 CGADHM CCCO[N-]C(=O)CCc1ccc(-c2ccccc2)o1 ZINC000844081133 635816043 /nfs/dbraw/zinc/81/60/43/635816043.db2.gz UXZWCTPJRMEXMP-UHFFFAOYSA-N -1 3 273.332 3.337 20 0 CGADHM CCCO[N-]C(=O)CCSc1ccc(Cl)cc1 ZINC000844080798 635816463 /nfs/dbraw/zinc/81/64/63/635816463.db2.gz ZFUMDYHBGOLJKC-UHFFFAOYSA-N -1 3 273.785 3.280 20 0 CGADHM C=C/C=C/CCNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000881568596 636145586 /nfs/dbraw/zinc/14/55/86/636145586.db2.gz UGUZUUPVXQMDOU-ONEGZZNKSA-N -1 3 277.339 3.103 20 0 CGADHM COc1ccc2c(c1)C[C@H](C)N(C/C=C(\C)C(=O)[O-])[C@@H]2C ZINC000846258898 636168774 /nfs/dbraw/zinc/16/87/74/636168774.db2.gz LHKWLUPACIQUMV-ACMJRCFVSA-N -1 3 289.375 3.034 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2nc(C(C)(C)C)co2)c1 ZINC000847103285 636337034 /nfs/dbraw/zinc/33/70/34/636337034.db2.gz ARXXFKJSWHGCCO-UHFFFAOYSA-N -1 3 274.320 3.238 20 0 CGADHM CC(C)(C)CC(=O)[N-]OCC[C@H]1CCCC1(F)F ZINC000882992870 636496791 /nfs/dbraw/zinc/49/67/91/636496791.db2.gz UXWYEYZKGXAXQF-SNVBAGLBSA-N -1 3 263.328 3.296 20 0 CGADHM CC(C(=O)Nc1c([O-])cccc1Cl)=C1CCC1 ZINC000848140169 636533530 /nfs/dbraw/zinc/53/35/30/636533530.db2.gz MAXHVLAKFBGBRT-UHFFFAOYSA-N -1 3 251.713 3.485 20 0 CGADHM CCCCCCN(C)CC(=O)Nc1c([O-])cccc1Cl ZINC000848141122 636533635 /nfs/dbraw/zinc/53/36/35/636533635.db2.gz YKIXPTMOQCHTEV-UHFFFAOYSA-N -1 3 298.814 3.496 20 0 CGADHM O=C(CCCc1c(F)cccc1F)[N-]OCCC1CC1 ZINC000848129102 636533673 /nfs/dbraw/zinc/53/36/73/636533673.db2.gz NRWDNTGTVNABPQ-UHFFFAOYSA-N -1 3 283.318 3.135 20 0 CGADHM O=C(C=C1CCSCC1)Nc1c([O-])cccc1Cl ZINC000848140106 636533792 /nfs/dbraw/zinc/53/37/92/636533792.db2.gz KNZWWJKWPUDGBH-UHFFFAOYSA-N -1 3 283.780 3.438 20 0 CGADHM CCc1ccc(C(=O)NCc2ccc([O-])c(F)c2)s1 ZINC000133155940 636877316 /nfs/dbraw/zinc/87/73/16/636877316.db2.gz HQDJKTOLXNFNET-UHFFFAOYSA-N -1 3 279.336 3.085 20 0 CGADHM O=C(c1ccccc1[O-])N1C[C@H](C2CC2)C[C@@H]1C1CC1 ZINC000885227649 637188742 /nfs/dbraw/zinc/18/87/42/637188742.db2.gz RYYDPZBJXNVVEV-UKRRQHHQSA-N -1 3 271.360 3.043 20 0 CGADHM O=C(CCCc1ccc([O-])c(F)c1)NC[C@]12C[C@H]1CCC2 ZINC000885996566 637348781 /nfs/dbraw/zinc/34/87/81/637348781.db2.gz ACJJTIHLFCHGTB-DYVFJYSZSA-N -1 3 291.366 3.160 20 0 CGADHM CC[C@H](CSCc1nc(C)cc(=O)[n-]1)CC(F)F ZINC000853769864 637915150 /nfs/dbraw/zinc/91/51/50/637915150.db2.gz JOZCSQPIGAQNBR-VIFPVBQESA-N -1 3 276.352 3.405 20 0 CGADHM CC(=CC(=O)Nc1[nH][n-]c2cc(=O)ccc1-2)C(C)(C)C ZINC000854582224 638072553 /nfs/dbraw/zinc/07/25/53/638072553.db2.gz FETZOCPAOUTNPN-CLFYSBASSA-N -1 3 273.336 3.199 20 0 CGADHM O=C(CCc1ccccc1Cl)[N-]OCC1CCC1 ZINC000856343592 638345454 /nfs/dbraw/zinc/34/54/54/638345454.db2.gz QUZWILMIPDFTTA-UHFFFAOYSA-N -1 3 267.756 3.121 20 0 CGADHM O=C(C[C@@H]1CCc2ccccc2C1)[N-]OCC1CCC1 ZINC000856349247 638349854 /nfs/dbraw/zinc/34/98/54/638349854.db2.gz LJLNOSOWNFDJGB-CQSZACIVSA-N -1 3 273.376 3.030 20 0 CGADHM CC[C@@H](C)CONC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000857266286 638485739 /nfs/dbraw/zinc/48/57/39/638485739.db2.gz QZEMBFYITIIGDU-MRVPVSSYSA-N -1 3 291.269 3.119 20 0 CGADHM O=C([N-]OCC1CCC1)c1c(F)ccc(F)c1Cl ZINC000857339626 638495373 /nfs/dbraw/zinc/49/53/73/638495373.db2.gz VKWJXIHHYFCMJR-UHFFFAOYSA-N -1 3 275.682 3.080 20 0 CGADHM Cc1nccnc1[C@H](C)N[C@H](C)c1cc([O-])cc(F)c1 ZINC000926838582 638816407 /nfs/dbraw/zinc/81/64/07/638816407.db2.gz SXRXRXBCJAMUPY-KOLCDFICSA-N -1 3 275.327 3.042 20 0 CGADHM CC(C)CN(Cc1ccccn1)C(=O)c1ccccc1[O-] ZINC000928739525 638890333 /nfs/dbraw/zinc/89/03/33/638890333.db2.gz IFOFZSKGGJQCKV-UHFFFAOYSA-N -1 3 284.359 3.086 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CC[C@@H]1Cc1ccccc1 ZINC000859825359 639231132 /nfs/dbraw/zinc/23/11/32/639231132.db2.gz WLSRHXOUDVMQOL-OAHLLOKOSA-N -1 3 281.355 3.158 20 0 CGADHM O=C(CC1CCC(F)(F)CC1)[N-]OCCC1CC1 ZINC000861825034 639617591 /nfs/dbraw/zinc/61/75/91/639617591.db2.gz ZOZHRAZQERHMSU-UHFFFAOYSA-N -1 3 261.312 3.050 20 0 CGADHM CC(C)Cc1ncc(C(=O)Nc2cccc([O-])c2F)s1 ZINC000935134456 639754150 /nfs/dbraw/zinc/75/41/50/639754150.db2.gz HABLPYPIROUODV-UHFFFAOYSA-N -1 3 294.351 3.439 20 0 CGADHM O=C(C[C@@H]1CCCC1(F)F)[N-]OC1CCCCC1 ZINC000935500777 639824026 /nfs/dbraw/zinc/82/40/26/639824026.db2.gz YPWMIBXTZSGTOP-JTQLQIEISA-N -1 3 261.312 3.192 20 0 CGADHM CC(=O)c1cccc(NC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)c1[O-] ZINC000935984575 639877073 /nfs/dbraw/zinc/87/70/73/639877073.db2.gz GYMSENWBNNMPGY-CLLJXQQHSA-N -1 3 287.359 3.360 20 0 CGADHM Cc1ccc(NC([O-])=NO[C@@H]2CCCCO2)cc1Cl ZINC000155415822 639933687 /nfs/dbraw/zinc/93/36/87/639933687.db2.gz MJCKSMISDCTGDZ-GFCCVEGCSA-N -1 3 284.743 3.228 20 0 CGADHM Cc1ccc(NC(=O)[N-]O[C@@H]2CCCCO2)cc1Cl ZINC000155415822 639933692 /nfs/dbraw/zinc/93/36/92/639933692.db2.gz MJCKSMISDCTGDZ-GFCCVEGCSA-N -1 3 284.743 3.228 20 0 CGADHM Cc1cc2cc(NC([O-])=NO[C@@H]3CCCCO3)ccc2[nH]1 ZINC000159646926 640057572 /nfs/dbraw/zinc/05/75/72/640057572.db2.gz TWPOPBWMHHXKPH-CQSZACIVSA-N -1 3 289.335 3.056 20 0 CGADHM Cc1cc2cc(NC(=O)[N-]O[C@@H]3CCCCO3)ccc2[nH]1 ZINC000159646926 640057583 /nfs/dbraw/zinc/05/75/83/640057583.db2.gz TWPOPBWMHHXKPH-CQSZACIVSA-N -1 3 289.335 3.056 20 0 CGADHM CCCCCCOC(=O)c1cc(-c2ccco2)[n-]n1 ZINC000048764902 640069210 /nfs/dbraw/zinc/06/92/10/640069210.db2.gz QBVKLDYWTSBHNS-UHFFFAOYSA-N -1 3 262.309 3.407 20 0 CGADHM CCCCCCOC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000048764902 640069216 /nfs/dbraw/zinc/06/92/16/640069216.db2.gz QBVKLDYWTSBHNS-UHFFFAOYSA-N -1 3 262.309 3.407 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2ccc(N(C)C)c(C)c2)c1 ZINC000195540595 640588914 /nfs/dbraw/zinc/58/89/14/640588914.db2.gz MINWDRFQYRHHNG-UHFFFAOYSA-N -1 3 284.359 3.327 20 0 CGADHM [O-]c1c(Cl)c(Cl)ccc1NC[C@@H](O)C(F)(F)F ZINC001250984912 805819522 /nfs/dbraw/zinc/81/95/22/805819522.db2.gz PAFGKUNATXHXEE-ZCFIWIBFSA-N -1 3 290.068 3.034 20 0 CGADHM Cc1cccc([O-])c1C(=O)NCC[C@@H]1CCC(C)(C)CO1 ZINC001157529772 805826970 /nfs/dbraw/zinc/82/69/70/805826970.db2.gz DXBHQOPKDFMTSC-ZDUSSCGKSA-N -1 3 291.391 3.026 20 0 CGADHM CCOc1ccc2[nH]c(-c3cccc([O-])c3F)nc2c1 ZINC001251255481 805872125 /nfs/dbraw/zinc/87/21/25/805872125.db2.gz NQEXFSCPTXKSNP-UHFFFAOYSA-N -1 3 272.279 3.473 20 0 CGADHM O=c1cc[nH]cc1-c1nc2c(cc(F)cc2C(F)(F)F)[n-]1 ZINC001251666527 805919783 /nfs/dbraw/zinc/91/97/83/805919783.db2.gz QMRQBTMHEGMROK-UHFFFAOYSA-N -1 3 297.211 3.076 20 0 CGADHM Cc1c[nH]c2nc(Cl)cc(NCc3ncccc3[O-])c12 ZINC001158774412 806001247 /nfs/dbraw/zinc/00/12/47/806001247.db2.gz NSMPCKFRBBZBMP-UHFFFAOYSA-N -1 3 288.738 3.237 20 0 CGADHM [O-]c1cccnc1CNc1c(Cl)ccnc1Cl ZINC001158774907 806001541 /nfs/dbraw/zinc/00/15/41/806001541.db2.gz VDGCJSXFNXMTRM-UHFFFAOYSA-N -1 3 270.119 3.101 20 0 CGADHM CCc1cccc(C(=O)Nc2c([O-])cccc2Cl)n1 ZINC001159658081 806141953 /nfs/dbraw/zinc/14/19/53/806141953.db2.gz PAUYZVUFYHEYMG-UHFFFAOYSA-N -1 3 276.723 3.255 20 0 CGADHM CCCCC[C@H](O)CNc1ccc(F)c(F)c1[O-] ZINC001253544260 806246150 /nfs/dbraw/zinc/24/61/50/806246150.db2.gz KUBPSBIBMWFXDW-VIFPVBQESA-N -1 3 259.296 3.024 20 0 CGADHM [O-]c1cc(Br)cc(-c2nnc(C3CC3)o2)c1 ZINC001254115100 806343932 /nfs/dbraw/zinc/34/39/32/806343932.db2.gz VIMCLSQJJWJVQC-UHFFFAOYSA-N -1 3 281.109 3.082 20 0 CGADHM [O-]c1cc(Cl)ccc1-n1cc(CCc2ccccc2)nn1 ZINC001254165263 806356721 /nfs/dbraw/zinc/35/67/21/806356721.db2.gz UDEQLKAKQNQJPX-UHFFFAOYSA-N -1 3 299.761 3.412 20 0 CGADHM CCCCOc1ccc(C(=O)N[C@@H]2C[C@H]2C2CC2)c([O-])c1 ZINC001161241660 806359949 /nfs/dbraw/zinc/35/99/49/806359949.db2.gz SABYJRXGFQPLQR-LSDHHAIUSA-N -1 3 289.375 3.099 20 0 CGADHM Clc1cc(-c2nnc(Cc3ccccc3Cl)o2)[n-]n1 ZINC001254388073 806392364 /nfs/dbraw/zinc/39/23/64/806392364.db2.gz ZHYNHNCNTGIXDK-UHFFFAOYSA-N -1 3 295.129 3.357 20 0 CGADHM C[C@@H](CCc1ccccc1)Nc1ccc(=S)[n-]n1 ZINC001161612437 806398727 /nfs/dbraw/zinc/39/87/27/806398727.db2.gz IIQYBJZWIGCWPF-NSHDSACASA-N -1 3 259.378 3.199 20 0 CGADHM O=C(c1c([O-])cccc1O)N1CCC[C@H](C2CCCC2)C1 ZINC001161908661 806481012 /nfs/dbraw/zinc/48/10/12/806481012.db2.gz RNFBWTCPGGYRGX-ZDUSSCGKSA-N -1 3 289.375 3.140 20 0 CGADHM COc1ccc(Cc2nnc(-c3ccc(C)cc3[O-])o2)cc1 ZINC001254719889 806486144 /nfs/dbraw/zinc/48/61/44/806486144.db2.gz YMEPHZCYTLLLCM-UHFFFAOYSA-N -1 3 296.326 3.350 20 0 CGADHM Cc1cc(C)c(CNc2ccc3c(c2)[N-]C(=S)C3)c(=O)[nH]1 ZINC001162610770 806629153 /nfs/dbraw/zinc/62/91/53/806629153.db2.gz LANMJMIWRCXHBA-UHFFFAOYSA-N -1 3 299.399 3.312 20 0 CGADHM Cc1[n-]n(-c2ccccc2Cl)c(=O)c1C(C)C ZINC000108459849 798982645 /nfs/dbraw/zinc/98/26/45/798982645.db2.gz BNYJQADBLFWLPU-GFCCVEGCSA-N -1 3 250.729 3.335 20 0 CGADHM CO[C@@H]1CC[C@H](/N=C/c2cc(Cl)ccc2[O-])C1 ZINC000189562919 799122207 /nfs/dbraw/zinc/12/22/07/799122207.db2.gz NMCLLXZKEUUTSP-QPVXSDEHSA-N -1 3 253.729 3.032 20 0 CGADHM C[C@@H]1C[C@@H](C(=O)[O-])CN(Cc2ccc(F)cc2Cl)C1 ZINC000263091140 799179245 /nfs/dbraw/zinc/17/92/45/799179245.db2.gz AGGPILAWIALGOS-MWLCHTKSSA-N -1 3 285.746 3.022 20 0 CGADHM COc1cc(C)ccc1-c1noc(-c2cc(O)ccc2[O-])n1 ZINC000317832230 799244590 /nfs/dbraw/zinc/24/45/90/799244590.db2.gz PPTIIJPPZNMWMG-UHFFFAOYSA-N -1 3 298.298 3.132 20 0 CGADHM [O-]c1cccc(CN2CC[C@H](C(F)(F)F)C2)c1Cl ZINC000328472412 799253185 /nfs/dbraw/zinc/25/31/85/799253185.db2.gz NNOPATQWJSCKTR-VIFPVBQESA-N -1 3 279.689 3.430 20 0 CGADHM O=C(/C=C\c1cccc(O)c1)Nc1cc(Cl)ccc1[O-] ZINC000588417876 799691315 /nfs/dbraw/zinc/69/13/15/799691315.db2.gz QVWDEBVDUBIBSL-DAXSKMNVSA-N -1 3 289.718 3.403 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1C[C@H](C)c2ccccc21 ZINC000706629117 799964571 /nfs/dbraw/zinc/96/45/71/799964571.db2.gz IAEAXTDQVADQKU-LBPRGKRZSA-N -1 3 267.328 3.465 20 0 CGADHM Cc1cccc([O-])c1C(=O)N[C@@H](C)c1ccccc1 ZINC000706622707 799964930 /nfs/dbraw/zinc/96/49/30/799964930.db2.gz VNQYFPMATPPXHG-LBPRGKRZSA-N -1 3 255.317 3.192 20 0 CGADHM C[C@@]1(C(F)(F)F)CCN(Cc2cccc(C(=O)[O-])c2)C1 ZINC000708931169 800001064 /nfs/dbraw/zinc/00/10/64/800001064.db2.gz ZYKCDSBHTOIKFR-CYBMUJFWSA-N -1 3 287.281 3.159 20 0 CGADHM CCc1ccc(-c2nc([C@]3(C)CCCO3)no2)c([O-])c1 ZINC000809454328 800438136 /nfs/dbraw/zinc/43/81/36/800438136.db2.gz FRFLLRJQBAGJFN-HNNXBMFYSA-N -1 3 274.320 3.030 20 0 CGADHM S=C1Cc2ccc(NC[C@@H]3Cc4ccccc4O3)cc2[N-]1 ZINC001163865318 806841300 /nfs/dbraw/zinc/84/13/00/806841300.db2.gz JDLJDHKKYAEJFI-AWEZNQCLSA-N -1 3 296.395 3.398 20 0 CGADHM CCCCCCc1nnc(-c2c([O-])cccc2O)o1 ZINC001256318793 806859243 /nfs/dbraw/zinc/85/92/43/806859243.db2.gz XFVMXSJYUYNFSL-UHFFFAOYSA-N -1 3 262.309 3.271 20 0 CGADHM CCCCCCc1nnc(-c2ccc(F)c(=O)[n-]2)o1 ZINC001256382595 806878860 /nfs/dbraw/zinc/87/88/60/806878860.db2.gz IDGYZJDOKHSTGZ-UHFFFAOYSA-N -1 3 265.288 3.099 20 0 CGADHM CC(C)Cc1nnc(-c2cc([O-])cc(Cl)c2)o1 ZINC001256502856 806907049 /nfs/dbraw/zinc/90/70/49/806907049.db2.gz OPVMYMZADANGDF-UHFFFAOYSA-N -1 3 252.701 3.294 20 0 CGADHM C[C@@H]1CC[C@H](C)[C@H]1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC001256562849 806915961 /nfs/dbraw/zinc/91/59/61/806915961.db2.gz LQUWPOANHOBPTM-VROVMSAKSA-N -1 3 293.841 3.114 20 0 CGADHM C[C@@H]1C[C@H]1c1nnc(-c2cc([O-])ccc2Cl)o1 ZINC001256627824 806932472 /nfs/dbraw/zinc/93/24/72/806932472.db2.gz ZRMLXVCDJFDIDP-HTRCEHHLSA-N -1 3 250.685 3.219 20 0 CGADHM Cc1cnc2ccccc2c1N1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC001118176763 802534261 /nfs/dbraw/zinc/53/42/61/802534261.db2.gz IBKFLRSEKNVGOF-FZMZJTMJSA-N -1 3 284.359 3.090 20 0 CGADHM CC[C@H](C)C(=O)C(=O)[N-]c1cc(-c2ccc(F)cc2)no1 ZINC001184316787 810191182 /nfs/dbraw/zinc/19/11/82/810191182.db2.gz MXALPFIRGXGQBB-VIFPVBQESA-N -1 3 290.294 3.034 20 0 CGADHM CO[C@@H](C)CCOC(=O)c1cccc2[n-]c(C(F)F)nc21 ZINC001122668325 802880358 /nfs/dbraw/zinc/88/03/58/802880358.db2.gz AILWKCLVOOHXBU-QMMMGPOBSA-N -1 3 298.289 3.082 20 0 CGADHM Cc1cc(F)cc(C)c1-c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001243928658 803079816 /nfs/dbraw/zinc/07/98/16/803079816.db2.gz GQDIFPFWLSWJPE-UHFFFAOYSA-N -1 3 286.285 3.429 20 0 CGADHM Cc1cc(F)cc(C)c1-c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001243928658 803079823 /nfs/dbraw/zinc/07/98/23/803079823.db2.gz GQDIFPFWLSWJPE-UHFFFAOYSA-N -1 3 286.285 3.429 20 0 CGADHM Cc1cc(C(=O)[N-]c2csnc2-c2ccccc2)no1 ZINC001126237362 803088549 /nfs/dbraw/zinc/08/85/49/803088549.db2.gz PKUPQHKOWAYDPO-UHFFFAOYSA-N -1 3 285.328 3.359 20 0 CGADHM O=c1c(-c2c([O-])cccc2Cl)cccn1-c1cccnc1 ZINC001244047827 803159346 /nfs/dbraw/zinc/15/93/46/803159346.db2.gz KENZAFDZYKHWJO-UHFFFAOYSA-N -1 3 298.729 3.259 20 0 CGADHM COC(=O)c1c(F)cncc1-c1c([O-])cccc1Cl ZINC001244048073 803160249 /nfs/dbraw/zinc/16/02/49/803160249.db2.gz NFOIAZGTNIIACV-UHFFFAOYSA-N -1 3 281.670 3.033 20 0 CGADHM Cc1nnc2cc(-c3c([O-])cccc3Cl)ccn12 ZINC001244047885 803160847 /nfs/dbraw/zinc/16/08/47/803160847.db2.gz KTHKOSLIGCVTLW-UHFFFAOYSA-N -1 3 259.696 3.064 20 0 CGADHM Cc1ccc(-c2cc(C3CC3)cnc2C)cc1-c1nnn[n-]1 ZINC001244143261 803206226 /nfs/dbraw/zinc/20/62/26/803206226.db2.gz FMEPSXYJEBFAPX-UHFFFAOYSA-N -1 3 291.358 3.423 20 0 CGADHM Cc1ccc(-c2cc(C3CC3)cnc2C)cc1-c1nn[n-]n1 ZINC001244143261 803206230 /nfs/dbraw/zinc/20/62/30/803206230.db2.gz FMEPSXYJEBFAPX-UHFFFAOYSA-N -1 3 291.358 3.423 20 0 CGADHM c1cc2cc(-c3cncc(-c4nnn[n-]4)c3)ccc2s1 ZINC001244298380 803284668 /nfs/dbraw/zinc/28/46/68/803284668.db2.gz FQMJICWUJFYADX-UHFFFAOYSA-N -1 3 279.328 3.143 20 0 CGADHM c1cc2cc(-c3cncc(-c4nn[n-]n4)c3)ccc2s1 ZINC001244298380 803284673 /nfs/dbraw/zinc/28/46/73/803284673.db2.gz FQMJICWUJFYADX-UHFFFAOYSA-N -1 3 279.328 3.143 20 0 CGADHM C[C@H]1Oc2ccc(-c3ccc(Cl)cc3[O-])cc2NC1=O ZINC001244469345 803386601 /nfs/dbraw/zinc/38/66/01/803386601.db2.gz IIEIGPNDLBIKPW-MRVPVSSYSA-N -1 3 289.718 3.432 20 0 CGADHM Cc1cc(C(N)=O)cc(C)c1-c1ccc(Cl)cc1[O-] ZINC001244471158 803387940 /nfs/dbraw/zinc/38/79/40/803387940.db2.gz FGMMYGIOLIWCSB-UHFFFAOYSA-N -1 3 275.735 3.428 20 0 CGADHM CC(C)n1cc(-c2ccc(Cl)cc2[O-])ccc1=O ZINC001244473755 803388839 /nfs/dbraw/zinc/38/88/39/803388839.db2.gz YZWKNZRDQSGUKC-UHFFFAOYSA-N -1 3 263.724 3.455 20 0 CGADHM NC(=O)c1cnc2cc(-c3ccc(Cl)cc3[O-])ccc2c1 ZINC001244473290 803389024 /nfs/dbraw/zinc/38/90/24/803389024.db2.gz VFDLYFHEUQHOJC-UHFFFAOYSA-N -1 3 298.729 3.360 20 0 CGADHM [O-]c1cc(Cl)ccc1-c1cc(-c2nn[nH]n2)ccc1F ZINC001244472016 803389113 /nfs/dbraw/zinc/38/91/13/803389113.db2.gz KAFXJPDICKPHQA-UHFFFAOYSA-N -1 3 290.685 3.032 20 0 CGADHM Cc1c[nH]c2nc(-c3cc(C)c(F)c([O-])c3)ncc12 ZINC001244505378 803410022 /nfs/dbraw/zinc/41/00/22/803410022.db2.gz FCDFETXUWFMPBW-UHFFFAOYSA-N -1 3 257.268 3.038 20 0 CGADHM Cc1cc(-c2cncc(OCC(C)C)n2)cc([O-])c1F ZINC001244508174 803411641 /nfs/dbraw/zinc/41/16/41/803411641.db2.gz PMCRLMQEGQPZQD-UHFFFAOYSA-N -1 3 276.311 3.332 20 0 CGADHM COc1ncc(F)cc1-c1cc(C)c(F)c([O-])c1 ZINC001244514815 803414034 /nfs/dbraw/zinc/41/40/34/803414034.db2.gz DNOGXCBERKQJPM-UHFFFAOYSA-N -1 3 251.232 3.049 20 0 CGADHM Cc1cc(-c2ccccc2[S@](C)=O)cc([O-])c1F ZINC001244515295 803414357 /nfs/dbraw/zinc/41/43/57/803414357.db2.gz JEUIEWPLKDHIGD-SFHVURJKSA-N -1 3 264.321 3.244 20 0 CGADHM Cc1cc(-c2ccc3c(c2)CN(C)C3=O)cc([O-])c1F ZINC001244515266 803414402 /nfs/dbraw/zinc/41/44/02/803414402.db2.gz HZKKVDAZVRWEGK-UHFFFAOYSA-N -1 3 271.291 3.092 20 0 CGADHM Cc1cc(-c2cc3nc[nH]c3nc2C)cc([O-])c1F ZINC001244519293 803415476 /nfs/dbraw/zinc/41/54/76/803415476.db2.gz GDCJWVYEXBPFCV-UHFFFAOYSA-N -1 3 257.268 3.086 20 0 CGADHM COc1cc(-c2cc(C)c(F)c([O-])c2)ccc1NC(C)=O ZINC001244522000 803415650 /nfs/dbraw/zinc/41/56/50/803415650.db2.gz ZWYQCZIIECWWON-UHFFFAOYSA-N -1 3 289.306 3.474 20 0 CGADHM Cc1cc(-c2ccc(S(C)(=O)=O)cc2F)cc([O-])c1F ZINC001244521915 803415668 /nfs/dbraw/zinc/41/56/68/803415668.db2.gz YRNRBCULXFECEQ-UHFFFAOYSA-N -1 3 298.310 3.049 20 0 CGADHM Cc1cn2cc(-c3cc(C)c([O-])c(Cl)c3)cnc2n1 ZINC001244537005 803424325 /nfs/dbraw/zinc/42/43/25/803424325.db2.gz DZMCVMJSLSFSQX-UHFFFAOYSA-N -1 3 273.723 3.372 20 0 CGADHM Cc1cc(-c2ccc3nnn(C)c3c2)cc(Cl)c1[O-] ZINC001244547457 803431486 /nfs/dbraw/zinc/43/14/86/803431486.db2.gz LXJPKBXBPXHIFV-UHFFFAOYSA-N -1 3 273.723 3.303 20 0 CGADHM CN(C)Cc1ccc(-c2ccc(Cl)c([O-])c2F)nc1 ZINC001244631094 803473630 /nfs/dbraw/zinc/47/36/30/803473630.db2.gz QQKDQDVEZAKYRC-UHFFFAOYSA-N -1 3 280.730 3.308 20 0 CGADHM CCN(CC)c1cc(F)cc(-c2ccc(=S)[n-]n2)c1 ZINC001244824377 803538037 /nfs/dbraw/zinc/53/80/37/803538037.db2.gz BQTXBILBHIMIFG-UHFFFAOYSA-N -1 3 277.368 3.418 20 0 CGADHM Cc1nc2cc(-c3cc(Cl)ccc3[O-])ccn2n1 ZINC001245051542 803623269 /nfs/dbraw/zinc/62/32/69/803623269.db2.gz BTNWQIADJWNSEE-UHFFFAOYSA-N -1 3 259.696 3.064 20 0 CGADHM COc1cnc(F)c(-c2ccc3c(c2)[N-]C(=S)C3)c1 ZINC001245064366 803628993 /nfs/dbraw/zinc/62/89/93/803628993.db2.gz UBMMOILAAIHVCR-UHFFFAOYSA-N -1 3 274.320 3.192 20 0 CGADHM CCOC(=O)c1ccnc(-c2ccc([O-])cc2Cl)c1 ZINC001245081843 803636273 /nfs/dbraw/zinc/63/62/73/803636273.db2.gz MWZAWSIGXFFYBY-UHFFFAOYSA-N -1 3 277.707 3.284 20 0 CGADHM COc1ccnc(F)c1-c1ccc([O-])cc1Cl ZINC001245082947 803637248 /nfs/dbraw/zinc/63/72/48/803637248.db2.gz FTHSGISYIMMKJJ-UHFFFAOYSA-N -1 3 253.660 3.255 20 0 CGADHM O=c1c(-c2ccc([O-])cc2Cl)cccn1-c1ccncc1 ZINC001245083708 803637750 /nfs/dbraw/zinc/63/77/50/803637750.db2.gz RXTSMIQTQSCDEQ-UHFFFAOYSA-N -1 3 298.729 3.259 20 0 CGADHM Cc1cccc([O-])c1C(=O)NCCOC1CCCCCC1 ZINC001136805899 803652883 /nfs/dbraw/zinc/65/28/83/803652883.db2.gz XIVNHHQWRKIRGQ-UHFFFAOYSA-N -1 3 291.391 3.170 20 0 CGADHM [O-]c1ccc(Nc2cccc(C3=NCCO3)c2)c(F)c1F ZINC001212016264 814967790 /nfs/dbraw/zinc/96/77/90/814967790.db2.gz HFQPGMGOBWSGNN-UHFFFAOYSA-N -1 3 290.269 3.191 20 0 CGADHM CCOc1cc(-c2c([O-])cccc2F)cnc1F ZINC001245654808 803886016 /nfs/dbraw/zinc/88/60/16/803886016.db2.gz LSTNKSHCECIRME-UHFFFAOYSA-N -1 3 251.232 3.131 20 0 CGADHM COc1nc(OC)c(-c2c([O-])cccc2F)cc1SC ZINC001245655138 803887992 /nfs/dbraw/zinc/88/79/92/803887992.db2.gz AGRQQUVLAXGUKN-UHFFFAOYSA-N -1 3 295.335 3.332 20 0 CGADHM [O-]c1cccc(F)c1-c1cc(F)cc(N2CCOCC2)c1 ZINC001245656062 803889000 /nfs/dbraw/zinc/88/90/00/803889000.db2.gz HLLNWPHCLJCMDF-UHFFFAOYSA-N -1 3 291.297 3.174 20 0 CGADHM CCOc1ccc(-c2ccccc2-c2nnn[n-]2)cc1CC ZINC001245870701 804002655 /nfs/dbraw/zinc/00/26/55/804002655.db2.gz UUABUSWQUSVYAA-UHFFFAOYSA-N -1 3 294.358 3.495 20 0 CGADHM CCOc1ccc(-c2ccccc2-c2nn[n-]n2)cc1CC ZINC001245870701 804002659 /nfs/dbraw/zinc/00/26/59/804002659.db2.gz UUABUSWQUSVYAA-UHFFFAOYSA-N -1 3 294.358 3.495 20 0 CGADHM Nc1cc(Nc2cc(F)c([O-])c(F)c2)ccc1F ZINC001212342068 815008270 /nfs/dbraw/zinc/00/82/70/815008270.db2.gz HPRIHBDQZXCYGW-UHFFFAOYSA-N -1 3 254.211 3.135 20 0 CGADHM CN(Cc1ccc(Cl)cc1)Cc1ccncc1[O-] ZINC001140277521 804407233 /nfs/dbraw/zinc/40/72/33/804407233.db2.gz CGOWUBWVVASHBK-UHFFFAOYSA-N -1 3 262.740 3.073 20 0 CGADHM C[C@@H]1C[C@H](F)CN1Cc1cccc([O-])c1Br ZINC001140547501 804458589 /nfs/dbraw/zinc/45/85/89/804458589.db2.gz ILEWXAMDJKEHOO-SCZZXKLOSA-N -1 3 288.160 3.087 20 0 CGADHM Cc1ccccc1[C@@H](C)C(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC001141301863 804628783 /nfs/dbraw/zinc/62/87/83/804628783.db2.gz DTUCFEKRBCLSBH-LLVKDONJSA-N -1 3 295.342 3.319 20 0 CGADHM O=C(C[C@H]1CCC[C@@H](C(F)(F)F)C1)[N-]OCC1CC1 ZINC001141399744 804638141 /nfs/dbraw/zinc/63/81/41/804638141.db2.gz VAXDWUUISAAZMU-WDEREUQCSA-N -1 3 279.302 3.203 20 0 CGADHM CC(C)(CC(=O)[N-]OCCC1CC1)c1ccc(F)cc1 ZINC001141418510 804639840 /nfs/dbraw/zinc/63/98/40/804639840.db2.gz WEDSQGAZHWJJMA-UHFFFAOYSA-N -1 3 279.355 3.341 20 0 CGADHM CN(Cc1ncccn1)Cc1c(Cl)cc([O-])cc1Cl ZINC001142105458 804694569 /nfs/dbraw/zinc/69/45/69/804694569.db2.gz AVGWTWFKCAFAPT-UHFFFAOYSA-N -1 3 298.173 3.121 20 0 CGADHM CC1(C)COCCN1Cc1c(Cl)cc([O-])cc1Cl ZINC001142114421 804696423 /nfs/dbraw/zinc/69/64/23/804696423.db2.gz HVPREIOCKITANN-UHFFFAOYSA-N -1 3 290.190 3.310 20 0 CGADHM COc1cccc([O-])c1C(=O)N[C@H]1CCc2cc(C)ccc21 ZINC001142187308 804702013 /nfs/dbraw/zinc/70/20/13/804702013.db2.gz DULWBBJOXQNGOF-AWEZNQCLSA-N -1 3 297.354 3.127 20 0 CGADHM CC(C)=CC(=O)Nc1ccc(C(=O)OC(C)(C)C)cc1[O-] ZINC001143926501 804908137 /nfs/dbraw/zinc/90/81/37/804908137.db2.gz UPAKIXWVJLNQEF-UHFFFAOYSA-N -1 3 291.347 3.252 20 0 CGADHM CC(C)N(Cc1c(F)cc([O-])cc1F)C1CCOCC1 ZINC001144567093 805007353 /nfs/dbraw/zinc/00/73/53/805007353.db2.gz CNEJRTVWBVZKPJ-UHFFFAOYSA-N -1 3 285.334 3.060 20 0 CGADHM C[C@H]1CCCN(Cc2cc(F)c([O-])cc2F)[C@H]1C ZINC001144666708 805029495 /nfs/dbraw/zinc/02/94/95/805029495.db2.gz MSOZGGOTCXCRAM-UWVGGRQHSA-N -1 3 255.308 3.291 20 0 CGADHM CC(C)(CC(=O)Nc1cncc([O-])c1)c1ccccc1 ZINC001144725868 805043301 /nfs/dbraw/zinc/04/33/01/805043301.db2.gz XSZVKAWMZBCGJK-UHFFFAOYSA-N -1 3 270.332 3.094 20 0 CGADHM Cn1cc(C(=O)Nc2ccc(F)c([O-])c2)c2ccccc21 ZINC001148189835 805166401 /nfs/dbraw/zinc/16/64/01/805166401.db2.gz NXQNTHQZEAVEMQ-UHFFFAOYSA-N -1 3 284.290 3.275 20 0 CGADHM Cc1c(F)c(F)ccc1C(=O)Nc1ccc(F)c([O-])c1 ZINC001148600692 805198553 /nfs/dbraw/zinc/19/85/53/805198553.db2.gz GWYQBNRJHWLUGV-UHFFFAOYSA-N -1 3 281.233 3.370 20 0 CGADHM Cc1nc2ccccc2c(C(=O)Nc2ccccc2O)c1[O-] ZINC001149195897 805224872 /nfs/dbraw/zinc/22/48/72/805224872.db2.gz BGQMKOLYZWIVBP-UHFFFAOYSA-N -1 3 294.310 3.207 20 0 CGADHM COc1cc(Nc2cc(F)c([O-])c(F)c2)ccc1N ZINC001249721977 805225840 /nfs/dbraw/zinc/22/58/40/805225840.db2.gz NQYAKAGTTXXCAZ-UHFFFAOYSA-N -1 3 266.247 3.005 20 0 CGADHM CCCOc1cc(C)ccc1CNC(=O)c1ccccc1[O-] ZINC001149509673 805235527 /nfs/dbraw/zinc/23/55/27/805235527.db2.gz INHVJDWTPYJWRS-UHFFFAOYSA-N -1 3 299.370 3.419 20 0 CGADHM Cc1ncc(Nc2c(F)cc(OC(C)C)cc2F)c(=O)[n-]1 ZINC001249776162 805241665 /nfs/dbraw/zinc/24/16/65/805241665.db2.gz MQEOCTLANXMSRD-UHFFFAOYSA-N -1 3 295.289 3.300 20 0 CGADHM CC(C)[C@@H]1CCCCCN1C(=O)c1ccc(O)cc1[O-] ZINC001152612480 805358170 /nfs/dbraw/zinc/35/81/70/805358170.db2.gz PFDBFPMVJUCWLG-AWEZNQCLSA-N -1 3 277.364 3.139 20 0 CGADHM Cc1cc(NC(=O)c2ccc(C)c(C)c2[O-])cc2n[nH]cc21 ZINC001153089699 805384355 /nfs/dbraw/zinc/38/43/55/805384355.db2.gz HXARISPDMWMJSS-UHFFFAOYSA-N -1 3 295.342 3.446 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2ccnc3ccc(F)cc32)n1 ZINC001153708839 805412353 /nfs/dbraw/zinc/41/23/53/805412353.db2.gz MAKIQWMQHMTUEE-UHFFFAOYSA-N -1 3 297.289 3.035 20 0 CGADHM Cc1cc(C)c(/C=C/C(=O)Nc2ncccc2[O-])cc1C ZINC001154067825 805431339 /nfs/dbraw/zinc/43/13/39/805431339.db2.gz NQKCHAAZSCGXDK-VOTSOKGWSA-N -1 3 282.343 3.364 20 0 CGADHM Cc1cc(C)c(/C=C\C(=O)Nc2ncccc2[O-])cc1C ZINC001154067824 805431352 /nfs/dbraw/zinc/43/13/52/805431352.db2.gz NQKCHAAZSCGXDK-SREVYHEPSA-N -1 3 282.343 3.364 20 0 CGADHM [O-]c1cc(Nc2cn(CC3CC3)cn2)ccc1Cl ZINC001212590301 815078632 /nfs/dbraw/zinc/07/86/32/815078632.db2.gz FOBATLRYYPMQBM-UHFFFAOYSA-N -1 3 263.728 3.396 20 0 CGADHM Cc1ccc(O)c(Nc2ccc(Cl)c([O-])c2)n1 ZINC001212588699 815078836 /nfs/dbraw/zinc/07/88/36/815078836.db2.gz YZVAOMXRIZRYIO-UHFFFAOYSA-N -1 3 250.685 3.198 20 0 CGADHM O=C([O-])c1ccc(CCN2CCCCC2)cc1Cl ZINC001250240042 805513644 /nfs/dbraw/zinc/51/36/44/805513644.db2.gz AZKCUSPUGKEHRN-UHFFFAOYSA-N -1 3 267.756 3.067 20 0 CGADHM Cc1c(C)c(C(=O)Nc2ncccc2[O-])nc2ccccc12 ZINC001155203896 805557005 /nfs/dbraw/zinc/55/70/05/805557005.db2.gz NZAWCMDBRJOLBU-UHFFFAOYSA-N -1 3 293.326 3.205 20 0 CGADHM CC1(C)C[C@@H]1[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC001257288608 807087967 /nfs/dbraw/zinc/08/79/67/807087967.db2.gz MFKSCNIAICEQES-VIFPVBQESA-N -1 3 294.203 3.070 20 0 CGADHM [O-]c1ccc(Cc2nnc(C3CCCC3)o2)cc1F ZINC001257494241 807182052 /nfs/dbraw/zinc/18/20/52/807182052.db2.gz QRTONQXUWGITDU-UHFFFAOYSA-N -1 3 262.284 3.163 20 0 CGADHM CC1(C)C[C@@H]1[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC001257780612 807220417 /nfs/dbraw/zinc/22/04/17/807220417.db2.gz UIKYYVVBRASALR-VIFPVBQESA-N -1 3 294.203 3.070 20 0 CGADHM COc1ccc([O-])c(-c2nnc(CC(C)(C)C)o2)c1 ZINC001257839500 807224952 /nfs/dbraw/zinc/22/49/52/807224952.db2.gz VKKJWSQNBBDMCO-UHFFFAOYSA-N -1 3 262.309 3.039 20 0 CGADHM CC(=O)c1cc(-c2nnc(CC(C)(C)C)o2)ccc1[O-] ZINC001257839499 807225285 /nfs/dbraw/zinc/22/52/85/807225285.db2.gz VHLFEUJGJGAJGW-UHFFFAOYSA-N -1 3 274.320 3.233 20 0 CGADHM [O-]c1cncc(-c2nc(-c3cccc(OC4CC4)c3)no2)c1 ZINC001212708458 815109522 /nfs/dbraw/zinc/10/95/22/815109522.db2.gz JGWFZHVMCSQCLV-UHFFFAOYSA-N -1 3 295.298 3.045 20 0 CGADHM CC(C)CCc1nnc(Cc2ccc([O-])c(F)c2)o1 ZINC001258256474 807386250 /nfs/dbraw/zinc/38/62/50/807386250.db2.gz KMCFKYCSIGDNKF-UHFFFAOYSA-N -1 3 264.300 3.094 20 0 CGADHM CC[C@@H](N[C@@H](C)c1nc(C)cc(=O)[n-]1)c1ccc(F)cc1 ZINC001168370677 807397435 /nfs/dbraw/zinc/39/74/35/807397435.db2.gz VFEZHAFHBUJKLB-SMDDNHRTSA-N -1 3 289.354 3.432 20 0 CGADHM C[C@@H]1C[C@H](Nc2ccc(=S)[n-]n2)c2ccccc21 ZINC001169363693 807631716 /nfs/dbraw/zinc/63/17/16/807631716.db2.gz JHBZWWOSESLAMR-SKDRFNHKSA-N -1 3 257.362 3.426 20 0 CGADHM Cc1ccc2nc([N-]S(=O)(=O)C3CCCC3)ccc2c1 ZINC001259794173 807684715 /nfs/dbraw/zinc/68/47/15/807684715.db2.gz WNENHMSEDPQXKZ-UHFFFAOYSA-N -1 3 290.388 3.228 20 0 CGADHM O=S(=O)([N-]c1ccccc1-c1cnco1)C1CCCC1 ZINC001259801011 807686005 /nfs/dbraw/zinc/68/60/05/807686005.db2.gz SJVKUFHSNHPCEA-UHFFFAOYSA-N -1 3 292.360 3.026 20 0 CGADHM O=S(=O)([N-]c1cccc2occc21)C1CCCC1 ZINC001259801874 807686784 /nfs/dbraw/zinc/68/67/84/807686784.db2.gz RCDDVYBFTXPXKS-UHFFFAOYSA-N -1 3 265.334 3.117 20 0 CGADHM CSc1ccc(Cl)nc1NCc1ncccc1[O-] ZINC001169732072 807699800 /nfs/dbraw/zinc/69/98/00/807699800.db2.gz HHWQWOVEFMFLKO-UHFFFAOYSA-N -1 3 281.768 3.170 20 0 CGADHM Cc1nc(Cl)nc(NCc2ncccc2[O-])c1C1CC1 ZINC001169731274 807699981 /nfs/dbraw/zinc/69/99/81/807699981.db2.gz MMNIMDWOLDBEJA-UHFFFAOYSA-N -1 3 290.754 3.029 20 0 CGADHM Cc1ccc(NCc2ncccc2[O-])c2cc[nH]c21 ZINC001169731187 807700088 /nfs/dbraw/zinc/70/00/88/807700088.db2.gz CSEKFXOIQDDAGT-UHFFFAOYSA-N -1 3 253.305 3.189 20 0 CGADHM COc1cc(C)c(NCc2ncccc2[O-])cc1Cl ZINC001169733570 807701207 /nfs/dbraw/zinc/70/12/07/807701207.db2.gz ZYKVVIJSYBJOJJ-UHFFFAOYSA-N -1 3 278.739 3.370 20 0 CGADHM CCOc1ncc(Nc2ncc(Cl)cc2[O-])cc1F ZINC001212829043 815149115 /nfs/dbraw/zinc/14/91/15/815149115.db2.gz GRWZIANJRYBGAX-UHFFFAOYSA-N -1 3 283.690 3.117 20 0 CGADHM CC(C)c1ccc(C(=O)NCC[C@@H]2CCSC2)c([O-])c1 ZINC001171644315 808111827 /nfs/dbraw/zinc/11/18/27/808111827.db2.gz UVYIYWCJLYCUBU-GFCCVEGCSA-N -1 3 293.432 3.389 20 0 CGADHM Cc1ncc(Nc2cc(F)cc(F)c2Cl)c(=O)[n-]1 ZINC001215951005 815638864 /nfs/dbraw/zinc/63/88/64/815638864.db2.gz LTMXJPYCGWMLGI-UHFFFAOYSA-N -1 3 271.654 3.166 20 0 CGADHM Cc1nc2ccc(Nc3cc(=O)[n-]c(C4CC4)n3)cc2o1 ZINC001213063878 815216441 /nfs/dbraw/zinc/21/64/41/815216441.db2.gz IYDLTVVWEWWXKK-UHFFFAOYSA-N -1 3 282.303 3.253 20 0 CGADHM [O-]c1cc(Cl)cnc1Nc1ccc(F)c(F)c1 ZINC001173864361 808722556 /nfs/dbraw/zinc/72/25/56/808722556.db2.gz KBMBKFAWTNLRFT-UHFFFAOYSA-N -1 3 256.639 3.462 20 0 CGADHM CC(C)c1nnc([N-]c2ccc3c(ccn3C)c2)o1 ZINC001174096055 808862054 /nfs/dbraw/zinc/86/20/54/808862054.db2.gz IJCIRMJDHLSNNY-UHFFFAOYSA-N -1 3 256.309 3.428 20 0 CGADHM COc1cc([N-]c2nnco2)ccc1OCc1ccccc1 ZINC001174442487 809016676 /nfs/dbraw/zinc/01/66/76/809016676.db2.gz DMSCVJBLIACIKG-UHFFFAOYSA-N -1 3 297.314 3.401 20 0 CGADHM Cc1cc(O)ccc1Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001174560188 809083743 /nfs/dbraw/zinc/08/37/43/809083743.db2.gz HARDACRPAYBRPA-UHFFFAOYSA-N -1 3 281.315 3.336 20 0 CGADHM Nc1cn(-c2cc(F)c([O-])c(F)c2)c2nccc-2c1Cl ZINC001213374860 815271783 /nfs/dbraw/zinc/27/17/83/815271783.db2.gz CNYWLJUNMVGOKC-UHFFFAOYSA-N -1 3 295.676 3.197 20 0 CGADHM COc1cc([N-]c2nnc(-c3ccco3)o2)ccc1C ZINC001175013759 809239492 /nfs/dbraw/zinc/23/94/92/809239492.db2.gz RVDDOFUDGFTPBY-UHFFFAOYSA-N -1 3 271.276 3.390 20 0 CGADHM Nc1cc(F)c(F)cc1Nc1cc(F)c([O-])c(F)c1 ZINC001213379289 815273286 /nfs/dbraw/zinc/27/32/86/815273286.db2.gz LLVQHEPMEYPAHI-UHFFFAOYSA-N -1 3 272.201 3.274 20 0 CGADHM Nc1cccc2c(Cl)nn(-c3cc(F)c([O-])c(F)c3)c21 ZINC001213388694 815275261 /nfs/dbraw/zinc/27/52/61/815275261.db2.gz HOHHRFRKRZIGBK-UHFFFAOYSA-N -1 3 295.676 3.245 20 0 CGADHM Cn1cnc2c1cccc2Nc1cc(F)c([O-])c(F)c1 ZINC001213388583 815275823 /nfs/dbraw/zinc/27/58/23/815275823.db2.gz AQPIABVDRROJES-UHFFFAOYSA-N -1 3 275.258 3.301 20 0 CGADHM CCOc1cc(C)c(Nc2cnc(C)[n-]c2=O)c(C)c1 ZINC001175174597 809298170 /nfs/dbraw/zinc/29/81/70/809298170.db2.gz ZYLNOWWLFZNXLU-UHFFFAOYSA-N -1 3 273.336 3.250 20 0 CGADHM [O-]c1ccc(F)c(Nc2ccnc(Cl)c2)c1F ZINC001175261245 809328208 /nfs/dbraw/zinc/32/82/08/809328208.db2.gz IFLBDGHBZYPMGN-UHFFFAOYSA-N -1 3 256.639 3.462 20 0 CGADHM [O-]c1ccc(F)c(Nc2ncccc2OC(F)F)c1F ZINC001175264510 809329141 /nfs/dbraw/zinc/32/91/41/809329141.db2.gz VIPWIJLEUPRXPP-UHFFFAOYSA-N -1 3 288.200 3.410 20 0 CGADHM [O-]c1ccc(F)c(Nc2cccn3ccnc23)c1F ZINC001175262850 809329351 /nfs/dbraw/zinc/32/93/51/809329351.db2.gz OKVBKRCXOPBPEK-UHFFFAOYSA-N -1 3 261.231 3.062 20 0 CGADHM Cc1ncc(Nc2c(F)ccc([O-])c2F)c(Cl)n1 ZINC001175263218 809329723 /nfs/dbraw/zinc/32/97/23/809329723.db2.gz QIQZPYBJXOAMNJ-UHFFFAOYSA-N -1 3 271.654 3.166 20 0 CGADHM [O-]c1ccc(F)c(Nc2cn(CC3CCC3)cn2)c1F ZINC001175266273 809331405 /nfs/dbraw/zinc/33/14/05/809331405.db2.gz SMLWQHJOMFHZFU-UHFFFAOYSA-N -1 3 279.290 3.411 20 0 CGADHM COC(=O)c1cc(F)cc(Nc2c(F)ccc([O-])c2F)c1 ZINC001175267649 809331555 /nfs/dbraw/zinc/33/15/55/809331555.db2.gz DYNHVRHSSZKOTB-UHFFFAOYSA-N -1 3 297.232 3.340 20 0 CGADHM C[C@H](O)c1ccc(Nc2c(F)ccc([O-])c2F)cc1 ZINC001175267824 809333423 /nfs/dbraw/zinc/33/34/23/809333423.db2.gz AAPRMUJZHFWUOQ-QMMMGPOBSA-N -1 3 265.259 3.467 20 0 CGADHM O=C1OCc2cccc(Nc3c(F)ccc([O-])c3F)c21 ZINC001175269832 809334281 /nfs/dbraw/zinc/33/42/81/809334281.db2.gz NNOYLNLRCANAFA-UHFFFAOYSA-N -1 3 277.226 3.084 20 0 CGADHM Nc1cccc2c(Cl)nn(-c3c(F)ccc([O-])c3F)c21 ZINC001175271137 809334862 /nfs/dbraw/zinc/33/48/62/809334862.db2.gz TWJOZDLRUAJBHP-UHFFFAOYSA-N -1 3 295.676 3.245 20 0 CGADHM O=c1cc(Nc2cccc3ccsc32)[nH]c(=S)[n-]1 ZINC001175377588 809384585 /nfs/dbraw/zinc/38/45/85/809384585.db2.gz OENILYPMPLEQEC-UHFFFAOYSA-N -1 3 275.358 3.429 20 0 CGADHM Cc1conc1[N-]c1c(F)c(F)c(F)c(F)c1F ZINC001175383233 809386105 /nfs/dbraw/zinc/38/61/05/809386105.db2.gz BTBYISBTNVHBMA-UHFFFAOYSA-N -1 3 264.153 3.422 20 0 CGADHM c1cc(C2CCC2)c(Nc2ccc(-c3nn[n-]n3)cc2)cn1 ZINC001175427432 809401486 /nfs/dbraw/zinc/40/14/86/809401486.db2.gz LDEQHFSERAZVOY-UHFFFAOYSA-N -1 3 292.346 3.273 20 0 CGADHM CSc1ccc(Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001175427813 809401754 /nfs/dbraw/zinc/40/17/54/809401754.db2.gz AFSABUHWXBNYTG-UHFFFAOYSA-N -1 3 283.360 3.332 20 0 CGADHM c1nc2cc(Nc3ccc(-c4nn[n-]n4)cc3)ccc2s1 ZINC001175429875 809401805 /nfs/dbraw/zinc/40/18/05/809401805.db2.gz SVOLFQXYCXFHHQ-UHFFFAOYSA-N -1 3 294.343 3.220 20 0 CGADHM Cn1ncc2c1cccc2Nc1cc(F)c([O-])c(F)c1 ZINC001175437429 809404179 /nfs/dbraw/zinc/40/41/79/809404179.db2.gz ZODQVWRKMRHDHF-UHFFFAOYSA-N -1 3 275.258 3.301 20 0 CGADHM Clc1ncc(Br)nc1[N-]c1cncs1 ZINC001175495659 809430198 /nfs/dbraw/zinc/43/01/98/809430198.db2.gz UBHLYJHEBIIKJH-UHFFFAOYSA-N -1 3 291.561 3.093 20 0 CGADHM COC[C@@H](NC(=O)c1cc2sccc2c([O-])c1)C(C)C ZINC001293646733 809451743 /nfs/dbraw/zinc/45/17/43/809451743.db2.gz SUAKBRAERGMAKR-GFCCVEGCSA-N -1 3 293.388 3.008 20 0 CGADHM Cc1cccc([O-])c1C(=O)N[C@H]1CSc2ccccc21 ZINC001293782719 809455208 /nfs/dbraw/zinc/45/52/08/809455208.db2.gz KKYMGOQNTNONSS-LBPRGKRZSA-N -1 3 285.368 3.277 20 0 CGADHM CCc1ccc(C(=O)N[C@H]2COc3ccc(C)cc32)c([O-])c1 ZINC001294650792 809473893 /nfs/dbraw/zinc/47/38/93/809473893.db2.gz UVQTYUGDXSQTDJ-HNNXBMFYSA-N -1 3 297.354 3.127 20 0 CGADHM O=c1cc(Nc2cccc3c[nH]nc32)[n-]n1-c1ccccc1 ZINC001175635028 809483103 /nfs/dbraw/zinc/48/31/03/809483103.db2.gz FDUJAUFKXZACFL-UHFFFAOYSA-N -1 3 291.314 3.198 20 0 CGADHM CCOc1ccc(Nc2cc(F)c([O-])cc2F)cn1 ZINC001175744204 809529595 /nfs/dbraw/zinc/52/95/95/809529595.db2.gz URBGVOFGHZJTDW-UHFFFAOYSA-N -1 3 266.247 3.208 20 0 CGADHM CC1(C)CCC(C(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)CC1 ZINC001298307213 809531150 /nfs/dbraw/zinc/53/11/50/809531150.db2.gz XZSLNXARYLZLRE-UHFFFAOYSA-N -1 3 287.363 3.423 20 0 CGADHM COc1cccc(NC(=O)c2cc([O-])c3ccccc3c2)n1 ZINC001300699115 809571649 /nfs/dbraw/zinc/57/16/49/809571649.db2.gz HCWXSCLQSFAQFX-UHFFFAOYSA-N -1 3 294.310 3.201 20 0 CGADHM CCC[C@H](CNC(=O)c1cc(SC)ccc1[O-])OCC ZINC001301428442 809583802 /nfs/dbraw/zinc/58/38/02/809583802.db2.gz IWXDUOLODAKMDK-LLVKDONJSA-N -1 3 297.420 3.049 20 0 CGADHM CCn1nc(C)cc1NC(=O)c1cc([O-])c2ccccc2c1 ZINC001301876493 809588653 /nfs/dbraw/zinc/58/86/53/809588653.db2.gz SQQVPGQKRYZDAA-UHFFFAOYSA-N -1 3 295.342 3.323 20 0 CGADHM O=C(/C=C/c1nccs1)Nc1cc([O-])cc(Cl)c1 ZINC001177523785 809804576 /nfs/dbraw/zinc/80/45/76/809804576.db2.gz LUZOOGQRRTWCAA-OWOJBTEDSA-N -1 3 280.736 3.154 20 0 CGADHM Cc1ccc([O-])c(-c2nc(-c3cccc(C)c3C)no2)n1 ZINC001213699523 815323416 /nfs/dbraw/zinc/32/34/16/815323416.db2.gz NUZWTZPJCCBRAS-UHFFFAOYSA-N -1 3 281.315 3.429 20 0 CGADHM O=C(/C=C/c1cc2ccccc2o1)Nc1cncc([O-])c1 ZINC001178751405 809885460 /nfs/dbraw/zinc/88/54/60/809885460.db2.gz HMYGEGXPFYOFSQ-AATRIKPKSA-N -1 3 280.283 3.185 20 0 CGADHM CCc1cnc([N-]C(=O)c2nc(Cl)sc2Cl)o1 ZINC001179413828 809920209 /nfs/dbraw/zinc/92/02/09/809920209.db2.gz KRKRHYDTMHSWCE-UHFFFAOYSA-N -1 3 292.147 3.253 20 0 CGADHM O=C(Nc1cncc([O-])c1)C1CCC(C(F)(F)F)CC1 ZINC001179829866 809949027 /nfs/dbraw/zinc/94/90/27/809949027.db2.gz XNABFAKGZRDLRP-UHFFFAOYSA-N -1 3 288.269 3.094 20 0 CGADHM Cc1cccc(OCC(=O)Nc2ccc(F)c([O-])c2)c1C ZINC001180500521 810006194 /nfs/dbraw/zinc/00/61/94/810006194.db2.gz DIFNTWWTVDQZDB-UHFFFAOYSA-N -1 3 289.306 3.166 20 0 CGADHM CC(=O)c1cccc([O-])c1NC(=O)[C@H]1CCc2ccccc21 ZINC001181760708 810070084 /nfs/dbraw/zinc/07/00/84/810070084.db2.gz BUOIXBOJCIUKAM-HNNXBMFYSA-N -1 3 295.338 3.263 20 0 CGADHM [O-]c1cc(F)cnc1Nc1ccc(CC(F)(F)F)nc1 ZINC001213911549 815346051 /nfs/dbraw/zinc/34/60/51/815346051.db2.gz SAZPCFSQDFMDAC-UHFFFAOYSA-N -1 3 287.216 3.170 20 0 CGADHM Cc1nc(Nc2c(Cl)ccc(F)c2F)cc(=O)[n-]1 ZINC001213943314 815349478 /nfs/dbraw/zinc/34/94/78/815349478.db2.gz YSKOHMDIEJPNRS-UHFFFAOYSA-N -1 3 271.654 3.166 20 0 CGADHM C[C@H]1CCC[C@@H](C(=O)Nc2ccc(F)c([O-])c2)C1 ZINC001184506951 810205384 /nfs/dbraw/zinc/20/53/84/810205384.db2.gz CGHRYCKQACWVNH-VHSXEESVSA-N -1 3 251.301 3.296 20 0 CGADHM C[C@@H](NC(=O)Nc1ccc(F)c([O-])c1)c1ccccc1 ZINC001185012502 810228908 /nfs/dbraw/zinc/22/89/08/810228908.db2.gz HXAJKOKABCITNZ-SNVBAGLBSA-N -1 3 274.295 3.414 20 0 CGADHM Cc1ccc(CNC(=O)Nc2ccc([O-])c(F)c2)cc1 ZINC001185400797 810261643 /nfs/dbraw/zinc/26/16/43/810261643.db2.gz BFBJGPHZQNBVHM-UHFFFAOYSA-N -1 3 274.295 3.161 20 0 CGADHM COC(=O)c1c(F)cccc1Nc1ncc(Cl)cc1[O-] ZINC001214045825 815361344 /nfs/dbraw/zinc/36/13/44/815361344.db2.gz VYJSOEIQWFVIEJ-UHFFFAOYSA-N -1 3 296.685 3.110 20 0 CGADHM Cc1ccc([O-])c(NC(=O)N[C@@H]2CCCc3ccccc32)n1 ZINC001186421788 810337621 /nfs/dbraw/zinc/33/76/21/810337621.db2.gz UREZBJFXOXONGN-CQSZACIVSA-N -1 3 297.358 3.295 20 0 CGADHM C=Cc1ccc(C(=O)Nc2ccc(F)c([O-])c2)cc1 ZINC001186511255 810342618 /nfs/dbraw/zinc/34/26/18/810342618.db2.gz JVKFDELDSDXVOX-UHFFFAOYSA-N -1 3 257.264 3.427 20 0 CGADHM O=C(Nc1cncc([O-])c1)c1ccccc1-c1cccnc1 ZINC001188023180 810443069 /nfs/dbraw/zinc/44/30/69/810443069.db2.gz UWNORNPBRZEWJX-UHFFFAOYSA-N -1 3 291.310 3.102 20 0 CGADHM Cc1nc(NC(=O)Nc2cc(Cl)ccc2C)cc(=O)[n-]1 ZINC001188700028 810504983 /nfs/dbraw/zinc/50/49/83/810504983.db2.gz AUNBSVWMHMEMEQ-UHFFFAOYSA-N -1 3 292.726 3.096 20 0 CGADHM Cc1ncc(NC(=O)Nc2cc(Cl)ccc2C)c(=O)[n-]1 ZINC001188705195 810506053 /nfs/dbraw/zinc/50/60/53/810506053.db2.gz AHGDQELDGPAQQE-UHFFFAOYSA-N -1 3 292.726 3.096 20 0 CGADHM COC(=O)c1cnc(SC2C[C@H](C)C[C@@H](C)C2)[n-]1 ZINC001189166468 810546367 /nfs/dbraw/zinc/54/63/67/810546367.db2.gz OZRNUUCXHQOAJR-RKDXNWHRSA-N -1 3 268.382 3.113 20 0 CGADHM CC(C)CCC[C@@H](C)NC(=O)c1ccc(=O)[n-]c1Cl ZINC001190918461 810656903 /nfs/dbraw/zinc/65/69/03/810656903.db2.gz WLYMSMZUSVMERF-SNVBAGLBSA-N -1 3 284.787 3.385 20 0 CGADHM CCC[C@@H]1CCCC[C@@H]1C[N-]S(=O)(=O)c1ccco1 ZINC001191347776 810704586 /nfs/dbraw/zinc/70/45/86/810704586.db2.gz LNHYNRPAWDCPOC-CHWSQXEVSA-N -1 3 285.409 3.164 20 0 CGADHM Cc1ccc(Cl)c(NC(=O)Nc2cnc(C)[n-]c2=O)c1 ZINC001191676643 810730493 /nfs/dbraw/zinc/73/04/93/810730493.db2.gz OTMUETJULPAORV-UHFFFAOYSA-N -1 3 292.726 3.096 20 0 CGADHM CCCc1cc(C(=O)Nc2ncccc2[O-])ccc1F ZINC001191974976 810761341 /nfs/dbraw/zinc/76/13/41/810761341.db2.gz OJOKTNFEJONGKO-UHFFFAOYSA-N -1 3 274.295 3.131 20 0 CGADHM CC(C)(C)c1ccc(C(=O)N[C@@H]2C[C@@H]2C2CC2)c([O-])c1 ZINC001192341288 810788269 /nfs/dbraw/zinc/78/82/69/810788269.db2.gz WJDWCSCBWZDCCQ-ZIAGYGMSSA-N -1 3 273.376 3.218 20 0 CGADHM Cc1cc(O)cc([O-])c1C(=O)N1CCc2ccccc2[C@@H]1C ZINC001193910829 810977729 /nfs/dbraw/zinc/97/77/29/810977729.db2.gz DUINVDPMQQDVAQ-LBPRGKRZSA-N -1 3 297.354 3.166 20 0 CGADHM CC(=O)c1cccc(NC(=O)c2c(C)cc(O)cc2[O-])c1C ZINC001193939207 810981892 /nfs/dbraw/zinc/98/18/92/810981892.db2.gz ZRXMGCPIIBMTTJ-UHFFFAOYSA-N -1 3 299.326 3.170 20 0 CGADHM CC[C@H](C)COC(=O)Nc1cccc(C(C)=O)c1[O-] ZINC001194804295 811138992 /nfs/dbraw/zinc/13/89/92/811138992.db2.gz GFAUDFIPJQBWGQ-VIFPVBQESA-N -1 3 265.309 3.189 20 0 CGADHM CC[C@@H](C)COC(=O)Nc1cccc(C(C)=O)c1[O-] ZINC001194804294 811139030 /nfs/dbraw/zinc/13/90/30/811139030.db2.gz GFAUDFIPJQBWGQ-SECBINFHSA-N -1 3 265.309 3.189 20 0 CGADHM C=Cc1ccc(CNC(=O)c2ccc(Cl)[n-]c2=O)cc1 ZINC001195140002 811213399 /nfs/dbraw/zinc/21/33/99/811213399.db2.gz DFSOLVVUYBOLQQ-UHFFFAOYSA-N -1 3 288.734 3.014 20 0 CGADHM CCCCCC(C)(C)NS(=O)(=O)c1ccc([O-])cc1 ZINC001195818238 811294369 /nfs/dbraw/zinc/29/43/69/811294369.db2.gz GOQXCQVRUUYRHP-UHFFFAOYSA-N -1 3 285.409 3.029 20 0 CGADHM Cc1ncc(NC2=CC[C@@H](C(F)(F)F)CC2)c(=O)[n-]1 ZINC001196890511 811380168 /nfs/dbraw/zinc/38/01/68/811380168.db2.gz SVENBQHNNUUCLI-MRVPVSSYSA-N -1 3 273.258 3.149 20 0 CGADHM CCCCCCNC(=S)Nc1c([O-])cccc1C(C)=O ZINC001200956438 811772940 /nfs/dbraw/zinc/77/29/40/811772940.db2.gz DIRUSFAINSABKB-UHFFFAOYSA-N -1 3 294.420 3.462 20 0 CGADHM CCCCCCNC(=S)Nc1c([O-])cccc1F ZINC001200954381 811773157 /nfs/dbraw/zinc/77/31/57/811773157.db2.gz WTHIZCVEMVDWTB-UHFFFAOYSA-N -1 3 270.373 3.398 20 0 CGADHM CSc1ccc(NC(=S)Nc2cncc([O-])c2)cc1 ZINC001201176870 811792456 /nfs/dbraw/zinc/79/24/56/811792456.db2.gz HJWLLIRYMAYSPQ-UHFFFAOYSA-N -1 3 291.401 3.318 20 0 CGADHM Cc1ccc([O-])c(NC(=O)Nc2c(C)cccc2C)n1 ZINC001202197406 812036591 /nfs/dbraw/zinc/03/65/91/812036591.db2.gz ZHBFIFUWESCHCY-UHFFFAOYSA-N -1 3 271.320 3.356 20 0 CGADHM O=C(Nc1cccc(F)c1)Nc1ccc(F)c([O-])c1 ZINC001202229110 812044377 /nfs/dbraw/zinc/04/43/77/812044377.db2.gz JPYSVXCKYALUPA-UHFFFAOYSA-N -1 3 264.231 3.314 20 0 CGADHM O=C(Nc1c([O-])cccc1Cl)NC1CCCCC1 ZINC001202614938 812136481 /nfs/dbraw/zinc/13/64/81/812136481.db2.gz FHSBNGFCIJCPDH-UHFFFAOYSA-N -1 3 268.744 3.500 20 0 CGADHM O=C(Nc1cc(F)ccc1F)Nc1ncc([O-])cc1Cl ZINC001202649398 812146892 /nfs/dbraw/zinc/14/68/92/812146892.db2.gz PCYNUZYALDZBBP-UHFFFAOYSA-N -1 3 299.664 3.363 20 0 CGADHM CCCCOc1ccc(Nc2cnc[n-]c2=O)c(F)c1 ZINC001215481657 815524277 /nfs/dbraw/zinc/52/42/77/815524277.db2.gz SJGNMOFLZQUXBX-UHFFFAOYSA-N -1 3 277.299 3.244 20 0 CGADHM [O-]c1cc(F)c(Nc2nsc3ncccc23)cc1F ZINC001215572407 815537754 /nfs/dbraw/zinc/53/77/54/815537754.db2.gz VVHZXYGDOIGUNU-UHFFFAOYSA-N -1 3 279.271 3.419 20 0 CGADHM CN(c1cccc(N)c1)c1cc(F)c([O-])cc1F ZINC001215577267 815539439 /nfs/dbraw/zinc/53/94/39/815539439.db2.gz XMAPMJPYUQGNPA-UHFFFAOYSA-N -1 3 250.248 3.021 20 0 CGADHM Cn1cnc2cccc(Nc3cc(F)c([O-])cc3F)c21 ZINC001215576204 815539667 /nfs/dbraw/zinc/53/96/67/815539667.db2.gz NXJRKYOODUNZCL-UHFFFAOYSA-N -1 3 275.258 3.301 20 0 CGADHM CC[C@@H]1C[C@H](C)CN1Cc1ncc(Br)cc1[O-] ZINC001204775295 812732527 /nfs/dbraw/zinc/73/25/27/812732527.db2.gz BOUYCHCGPYTCNE-GXSJLCMTSA-N -1 3 299.212 3.170 20 0 CGADHM Cc1cnccc1Nc1ccc(C(=O)[O-])c(C)c1Cl ZINC001215690086 815558312 /nfs/dbraw/zinc/55/83/12/815558312.db2.gz HOEWLWWKOSGOAL-UHFFFAOYSA-N -1 3 276.723 3.216 20 0 CGADHM COc1cc(C)cc(F)c1[N-]c1nc(C)ns1 ZINC001215705313 815562364 /nfs/dbraw/zinc/56/23/64/815562364.db2.gz XBXNBWCMQZMAME-UHFFFAOYSA-N -1 3 253.302 3.046 20 0 CGADHM Cc1ccc2ncc(-c3ccc([O-])cc3F)nc2c1 ZINC001206021179 813169340 /nfs/dbraw/zinc/16/93/40/813169340.db2.gz IDAHZUBMMINXAI-UHFFFAOYSA-N -1 3 254.264 3.450 20 0 CGADHM COc1nnc(-c2ccc([O-])cc2F)c2ccccc21 ZINC001206037160 813175179 /nfs/dbraw/zinc/17/51/79/813175179.db2.gz FAZDVXCOFPUQLP-UHFFFAOYSA-N -1 3 270.263 3.150 20 0 CGADHM [O-]c1ccc(-c2ncnc3c2SCCC3)c(F)c1 ZINC001206037686 813176199 /nfs/dbraw/zinc/17/61/99/813176199.db2.gz LAFSVSFWLOKGDZ-UHFFFAOYSA-N -1 3 262.309 3.027 20 0 CGADHM COC(=O)c1cc2[nH]ccc2cc1-c1ccc([O-])cc1F ZINC001206057494 813184491 /nfs/dbraw/zinc/18/44/91/813184491.db2.gz GBQWFSGUHOLJGJ-UHFFFAOYSA-N -1 3 285.274 3.466 20 0 CGADHM CCc1cc(OC)ccc1-c1ccccc1-c1nnn[n-]1 ZINC001242698114 823104023 /nfs/dbraw/zinc/10/40/23/823104023.db2.gz AMVMLMYMYAZVSZ-UHFFFAOYSA-N -1 3 280.331 3.105 20 0 CGADHM CCc1cc(OC)ccc1-c1ccccc1-c1nn[n-]n1 ZINC001242698114 823104024 /nfs/dbraw/zinc/10/40/24/823104024.db2.gz AMVMLMYMYAZVSZ-UHFFFAOYSA-N -1 3 280.331 3.105 20 0 CGADHM Nc1n[nH]c2ccc(Nc3nc4c(cccc4[O-])s3)cc12 ZINC001209853117 814172149 /nfs/dbraw/zinc/17/21/49/814172149.db2.gz HKNPNMARAZNXLH-UHFFFAOYSA-N -1 3 297.343 3.204 20 0 CGADHM Brc1ccc2oc([N-]c3ccnnc3)nc2c1 ZINC001209954467 814211693 /nfs/dbraw/zinc/21/16/93/814211693.db2.gz JEVCLFZMKQSNLS-UHFFFAOYSA-N -1 3 291.108 3.124 20 0 CGADHM Nc1cccc2c1c(Cl)nn2-c1cccc(F)c1[O-] ZINC001210202353 814337545 /nfs/dbraw/zinc/33/75/45/814337545.db2.gz PUVFMCIHDWHHTC-UHFFFAOYSA-N -1 3 277.686 3.106 20 0 CGADHM Cc1csc(Nc2cccc(Cl)c2[O-])c1C(N)=O ZINC001210216086 814345474 /nfs/dbraw/zinc/34/54/74/814345474.db2.gz QESPZSRWGGBSBZ-UHFFFAOYSA-N -1 3 282.752 3.258 20 0 CGADHM O=C1NCc2ccc(Nc3cccc(Cl)c3[O-])cc21 ZINC001210218777 814346618 /nfs/dbraw/zinc/34/66/18/814346618.db2.gz FWMAFCFZHGOCIZ-UHFFFAOYSA-N -1 3 274.707 3.033 20 0 CGADHM [O-]c1c(Cl)cccc1Nc1cnc(Cl)cn1 ZINC001210216580 814347444 /nfs/dbraw/zinc/34/74/44/814347444.db2.gz XMRJZAAXTHVFSK-UHFFFAOYSA-N -1 3 256.092 3.233 20 0 CGADHM [O-]c1c(Cl)cccc1Nc1ccnn1CC1CC1 ZINC001210220426 814348177 /nfs/dbraw/zinc/34/81/77/814348177.db2.gz VLEAULZEPVYTCQ-UHFFFAOYSA-N -1 3 263.728 3.396 20 0 CGADHM CN1C(=O)Cc2ccc(Nc3cccc(Cl)c3[O-])cc21 ZINC001210222157 814349650 /nfs/dbraw/zinc/34/96/50/814349650.db2.gz QUXHXZQBTINZKK-UHFFFAOYSA-N -1 3 288.734 3.308 20 0 CGADHM CN1C(=O)Cc2cc(Nc3cccc(Cl)c3[O-])ccc21 ZINC001210223361 814350661 /nfs/dbraw/zinc/35/06/61/814350661.db2.gz QTOIHUBXJRDBAY-UHFFFAOYSA-N -1 3 288.734 3.308 20 0 CGADHM COC(=O)c1cccc(O)c1Nc1cccc(Cl)c1[O-] ZINC001210222935 814351889 /nfs/dbraw/zinc/35/18/89/814351889.db2.gz DTAPNAMMXUCVKL-UHFFFAOYSA-N -1 3 293.706 3.281 20 0 CGADHM C[C@@H](O)c1cccc(Nc2cc(=O)n(-c3ccccc3)[n-]2)c1 ZINC001210506404 814495958 /nfs/dbraw/zinc/49/59/58/814495958.db2.gz HXZNTIIGAMICRX-GFCCVEGCSA-N -1 3 295.342 3.375 20 0 CGADHM [O-]c1cccc(Nc2ccc[nH]c2=S)c1Cl ZINC001210851549 814650870 /nfs/dbraw/zinc/65/08/70/814650870.db2.gz BTQPDZYGSMMLLG-UHFFFAOYSA-N -1 3 252.726 3.473 20 0 CGADHM [O-]c1cccc(Nc2ccc(CCO)cc2)c1Cl ZINC001210854431 814652320 /nfs/dbraw/zinc/65/23/20/814652320.db2.gz WLTURQBRAIUUDP-UHFFFAOYSA-N -1 3 263.724 3.324 20 0 CGADHM [O-]c1cccc(Nc2ccc(-n3nccn3)cc2)c1Cl ZINC001210859905 814653822 /nfs/dbraw/zinc/65/38/22/814653822.db2.gz LOZQCQHNGKQABH-UHFFFAOYSA-N -1 3 286.722 3.370 20 0 CGADHM [O-]c1c(Cl)cc(Nc2ccncc2)cc1Cl ZINC001210923679 814676801 /nfs/dbraw/zinc/67/68/01/814676801.db2.gz YFSFJIFUGDEACW-UHFFFAOYSA-N -1 3 255.104 3.260 20 0 CGADHM Fc1ccc(-c2nnn[n-]2)cc1-c1ccccc1OC1CC1 ZINC001242794900 823134197 /nfs/dbraw/zinc/13/41/97/823134197.db2.gz PLLZSSJWRSQRKP-UHFFFAOYSA-N -1 3 296.305 3.214 20 0 CGADHM Fc1ccc(-c2nn[n-]n2)cc1-c1ccccc1OC1CC1 ZINC001242794900 823134200 /nfs/dbraw/zinc/13/42/00/823134200.db2.gz PLLZSSJWRSQRKP-UHFFFAOYSA-N -1 3 296.305 3.214 20 0 CGADHM Cc1occc1Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001211240105 814857167 /nfs/dbraw/zinc/85/71/67/814857167.db2.gz XCWBPZJPHIGQMS-UHFFFAOYSA-N -1 3 255.277 3.223 20 0 CGADHM COCOc1ccccc1[N-]c1noc(C(C)(C)C)n1 ZINC001211552629 814906617 /nfs/dbraw/zinc/90/66/17/814906617.db2.gz OLZMIBGDYYMECA-UHFFFAOYSA-N -1 3 277.324 3.093 20 0 CGADHM Nc1ccccc1C(=S)Nc1c([O-])cccc1Cl ZINC001215986998 815652285 /nfs/dbraw/zinc/65/22/85/815652285.db2.gz ZAWHVAFWSANJHT-UHFFFAOYSA-N -1 3 278.764 3.415 20 0 CGADHM CCc1cccc(C)c1-c1cc(-c2nnn[n-]2)ccc1OC ZINC001242816535 823143654 /nfs/dbraw/zinc/14/36/54/823143654.db2.gz AQAXEBJTLAMBIO-UHFFFAOYSA-N -1 3 294.358 3.413 20 0 CGADHM CCc1cccc(C)c1-c1cc(-c2nn[n-]n2)ccc1OC ZINC001242816535 823143655 /nfs/dbraw/zinc/14/36/55/823143655.db2.gz AQAXEBJTLAMBIO-UHFFFAOYSA-N -1 3 294.358 3.413 20 0 CGADHM COCCOc1ccc(Nc2cccc([O-])c2Cl)cn1 ZINC001216067490 815679184 /nfs/dbraw/zinc/67/91/84/815679184.db2.gz NFSJYJHBXYJIMF-UHFFFAOYSA-N -1 3 294.738 3.209 20 0 CGADHM CN(C)c1cc(F)cc(Nc2ncc(Cl)cc2[O-])c1 ZINC001216160276 815716229 /nfs/dbraw/zinc/71/62/29/815716229.db2.gz GPYOADZISZYIII-UHFFFAOYSA-N -1 3 281.718 3.389 20 0 CGADHM [O-]c1ccc(O)cc1-c1nc(-c2ccc(F)cc2F)no1 ZINC001216735753 815896293 /nfs/dbraw/zinc/89/62/93/815896293.db2.gz UGSLRQRJLNZEFB-UHFFFAOYSA-N -1 3 290.225 3.093 20 0 CGADHM Cc1cccc(-c2noc(-c3cc([O-])c(C)c(F)c3)n2)n1 ZINC001216895050 815900536 /nfs/dbraw/zinc/90/05/36/815900536.db2.gz DGRPKNRTAJBBCI-UHFFFAOYSA-N -1 3 285.278 3.260 20 0 CGADHM Nc1ccnc2cc(-c3ccccc3C(=O)[O-])ccc12 ZINC001242879707 823162852 /nfs/dbraw/zinc/16/28/52/823162852.db2.gz CNUMMKQHTSOCGV-UHFFFAOYSA-N -1 3 264.284 3.182 20 0 CGADHM CCN(CC)C(=O)c1cncc(-c2ccc(F)c([O-])c2)c1 ZINC001243051992 823228507 /nfs/dbraw/zinc/22/85/07/823228507.db2.gz SEDYEBIJIRLTSG-UHFFFAOYSA-N -1 3 288.322 3.075 20 0 CGADHM CC1(C)NC(=O)Cc2ccc(-c3ccc(F)c([O-])c3)cc21 ZINC001243047564 823224978 /nfs/dbraw/zinc/22/49/78/823224978.db2.gz UTICKRCZMXBYQZ-UHFFFAOYSA-N -1 3 285.318 3.106 20 0 CGADHM CC(=O)Nc1ccc(-c2ccc(F)c([O-])c2)cc1C ZINC001243048736 823225525 /nfs/dbraw/zinc/22/55/25/823225525.db2.gz LTBAESNHWBRYNY-UHFFFAOYSA-N -1 3 259.280 3.465 20 0 CGADHM C[C@@H]1C(=O)Nc2ccc(-c3ccc(F)c([O-])c3)cc21 ZINC001243048799 823225994 /nfs/dbraw/zinc/22/59/94/823225994.db2.gz JHARMDQARDMUHB-QMMMGPOBSA-N -1 3 257.264 3.254 20 0 CGADHM CC1(C)NC(=O)Cc2c(-c3ccc(F)c([O-])c3)cccc21 ZINC001243048347 823226134 /nfs/dbraw/zinc/22/61/34/823226134.db2.gz XKMJGKSFSTZXQL-UHFFFAOYSA-N -1 3 285.318 3.106 20 0 CGADHM Nc1cc(-c2ccc(F)c([O-])c2)nc(C(F)(F)F)c1 ZINC001243054273 823229986 /nfs/dbraw/zinc/22/99/86/823229986.db2.gz MFFZJUITCWKENQ-UHFFFAOYSA-N -1 3 272.201 3.194 20 0 CGADHM COc1c(F)ccc(-c2ccc(F)c([O-])c2)c1F ZINC001243063989 823233399 /nfs/dbraw/zinc/23/33/99/823233399.db2.gz YOKIDRFJDNVUMB-UHFFFAOYSA-N -1 3 254.207 3.485 20 0 CGADHM COc1cc(OC)c(-c2ccc(F)c([O-])c2)cc1OC ZINC001243063984 823233419 /nfs/dbraw/zinc/23/34/19/823233419.db2.gz YNGJJFWLNPPMJA-UHFFFAOYSA-N -1 3 278.279 3.224 20 0 CGADHM C[C@@H]1CCC[C@H](Oc2nc(=O)[n-]cc2C(F)(F)F)C1 ZINC001225576585 817098553 /nfs/dbraw/zinc/09/85/53/817098553.db2.gz JWSPVFBGWVGOKN-SFYZADRCSA-N -1 3 276.258 3.159 20 0 CGADHM Cc1cnc(=S)[n-]c1O[C@H]1CCc2c1cc(F)cc2F ZINC001225741498 817164104 /nfs/dbraw/zinc/16/41/04/817164104.db2.gz WSCFNPSVTDJHJU-LBPRGKRZSA-N -1 3 294.326 3.418 20 0 CGADHM CC(=O)c1ccc([O-])c(O[C@H](C)COC(C)(C)C)c1 ZINC001225999324 817245192 /nfs/dbraw/zinc/24/51/92/817245192.db2.gz VJTSJAGGTWTBKY-SNVBAGLBSA-N -1 3 266.337 3.177 20 0 CGADHM CCCC[C@@H](Oc1[n-]c(=O)nnc1C)c1ccccc1 ZINC001226461193 817364779 /nfs/dbraw/zinc/36/47/79/817364779.db2.gz KTPXNBLQYHLQNW-CYBMUJFWSA-N -1 3 273.336 3.196 20 0 CGADHM Cc1nnc(=O)[n-]c1OC(c1ccccc1)c1ccccc1 ZINC001226461901 817365027 /nfs/dbraw/zinc/36/50/27/817365027.db2.gz YAIYTDSJFSXEQY-UHFFFAOYSA-N -1 3 293.326 3.054 20 0 CGADHM CCc1nc(O[C@@H](C)c2ccccc2F)cc(=O)[n-]1 ZINC001226471160 817367182 /nfs/dbraw/zinc/36/71/82/817367182.db2.gz BCVYCRXVZIHZTI-VIFPVBQESA-N -1 3 262.284 3.024 20 0 CGADHM CCc1nc(O[C@@H](c2ccccc2)C2CC2)cc(=O)[n-]1 ZINC001226472828 817369229 /nfs/dbraw/zinc/36/92/29/817369229.db2.gz NXNSAMPMOAAJPZ-INIZCTEOSA-N -1 3 270.332 3.275 20 0 CGADHM Cc1cc(=O)oc2cc([O-])c(O[C@@H]3CC[C@@H](C)C3)cc12 ZINC001226532031 817389593 /nfs/dbraw/zinc/38/95/93/817389593.db2.gz MBJLBUDBDJJBRA-MWLCHTKSSA-N -1 3 274.316 3.374 20 0 CGADHM C[C@H]1CC[C@H](Oc2c([O-])ccc3ccc(=O)oc32)C1 ZINC001226596624 817409937 /nfs/dbraw/zinc/40/99/37/817409937.db2.gz NECVXGXUZKVRRS-ONGXEEELSA-N -1 3 260.289 3.066 20 0 CGADHM [O-]c1cccc(O[C@H]2CC(F)(F)C2(F)F)c1Cl ZINC001226709001 817440270 /nfs/dbraw/zinc/44/02/70/817440270.db2.gz KDJFTZLIVJYLIW-ZETCQYMHSA-N -1 3 270.609 3.467 20 0 CGADHM COc1cnc(=O)[n-]c1O[C@@H](C)c1ccc2ccccc2c1 ZINC001226823078 817475481 /nfs/dbraw/zinc/47/54/81/817475481.db2.gz PZDPBAMVBXAMCJ-NSHDSACASA-N -1 3 296.326 3.484 20 0 CGADHM CC[C@H](Oc1[n-]c(=O)ncc1OC)c1cccc(F)c1C ZINC001226829386 817476900 /nfs/dbraw/zinc/47/69/00/817476900.db2.gz ZJHGHMULTHMVNR-LBPRGKRZSA-N -1 3 292.310 3.168 20 0 CGADHM Cc1ccc2c(c1)[C@H](Oc1ccnc(=S)[n-]1)CC2 ZINC001226936568 817510524 /nfs/dbraw/zinc/51/05/24/817510524.db2.gz IYDPZYMWCKSPIF-GFCCVEGCSA-N -1 3 258.346 3.140 20 0 CGADHM Cc1cc(OC(C)C)cc(C)c1COc1cc(=O)[n-]cn1 ZINC001226945620 817512669 /nfs/dbraw/zinc/51/26/69/817512669.db2.gz XWUMAOPWJLKGIH-UHFFFAOYSA-N -1 3 288.347 3.165 20 0 CGADHM Cc1cccc2c1[C@H](Oc1[nH]c(=S)nc3nc[n-]c31)CC2 ZINC001227612660 817682090 /nfs/dbraw/zinc/68/20/90/817682090.db2.gz FPYBNTOWCCARDO-SNVBAGLBSA-N -1 3 298.371 3.016 20 0 CGADHM CCCC/C=C/[C@H](C)Oc1[nH]c(=S)nc2nc[n-]c21 ZINC001227615957 817682645 /nfs/dbraw/zinc/68/26/45/817682645.db2.gz HVHRLDGNXWZMAD-UCUJLANTSA-N -1 3 278.381 3.155 20 0 CGADHM [O-]c1cc(Cl)cnc1O[C@H]1CCc2ccccc2C1 ZINC001227980437 817771646 /nfs/dbraw/zinc/77/16/46/817771646.db2.gz ODJRQGJKKZSRFH-ZDUSSCGKSA-N -1 3 275.735 3.377 20 0 CGADHM C[C@H](Oc1ncc(Cl)cc1[O-])c1cccnc1F ZINC001227982296 817772586 /nfs/dbraw/zinc/77/25/86/817772586.db2.gz AXXNEFWZCMTELC-ZETCQYMHSA-N -1 3 268.675 3.115 20 0 CGADHM C[C@H](Oc1ncc(Cl)cc1[O-])c1nccs1 ZINC001227982325 817773255 /nfs/dbraw/zinc/77/32/55/817773255.db2.gz BWCYDNBHEGDPOM-LURJTMIESA-N -1 3 256.714 3.037 20 0 CGADHM CCOC[C@H](C)Oc1cc(-c2ccccc2)nc(=S)[n-]1 ZINC001228347386 817884054 /nfs/dbraw/zinc/88/40/54/817884054.db2.gz REVUDYUJDCXDQU-NSHDSACASA-N -1 3 290.388 3.236 20 0 CGADHM Cc1cc(=O)oc2c1ccc([O-])c2O[C@H]1C=CCCC1 ZINC001228623346 817956621 /nfs/dbraw/zinc/95/66/21/817956621.db2.gz RPIKXYOABIWGRN-NSHDSACASA-N -1 3 272.300 3.295 20 0 CGADHM Cc1ccc2c(c1)[C@@H](Oc1nnc(-c3cccnc3)[n-]1)CC2 ZINC001228696340 817974622 /nfs/dbraw/zinc/97/46/22/817974622.db2.gz VEEBWQIKJNIGAL-HNNXBMFYSA-N -1 3 292.342 3.241 20 0 CGADHM Cc1ccc2c(c1)[C@@H](Oc1nc(-c3cccnc3)n[n-]1)CC2 ZINC001228696340 817974630 /nfs/dbraw/zinc/97/46/30/817974630.db2.gz VEEBWQIKJNIGAL-HNNXBMFYSA-N -1 3 292.342 3.241 20 0 CGADHM Cc1ccc2c(c1)[C@@H](Oc1n[n-]c(-c3cccnc3)n1)CC2 ZINC001228696340 817974637 /nfs/dbraw/zinc/97/46/37/817974637.db2.gz VEEBWQIKJNIGAL-HNNXBMFYSA-N -1 3 292.342 3.241 20 0 CGADHM C[C@@H]1C[C@H](Oc2n[n-]c(-c3ccncc3)n2)CC(C)(C)C1 ZINC001228698078 817978205 /nfs/dbraw/zinc/97/82/05/817978205.db2.gz SFWIVLONHUQJLL-YPMHNXCESA-N -1 3 286.379 3.460 20 0 CGADHM C[C@@H]1CC[C@@H](C)[C@@H](Oc2n[n-]c(-c3ccncc3)n2)C1 ZINC001228697132 817978326 /nfs/dbraw/zinc/97/83/26/817978326.db2.gz IEACPIWCZIDQSI-WZRBSPASSA-N -1 3 272.352 3.070 20 0 CGADHM C[C@@H](Oc1cc2c(cc1[O-])CCC2=O)c1cccnc1 ZINC001228853015 818022411 /nfs/dbraw/zinc/02/24/11/818022411.db2.gz FQCKVSPXSJVATM-SNVBAGLBSA-N -1 3 269.300 3.056 20 0 CGADHM Fc1ccc2c(c1)CC[C@@H]2Oc1cccc(-c2nnn[n-]2)c1 ZINC001231121570 818035822 /nfs/dbraw/zinc/03/58/22/818035822.db2.gz MMDOVUFZRBHMKZ-HNNXBMFYSA-N -1 3 296.305 3.072 20 0 CGADHM Fc1ccc2c(c1)CC[C@@H]2Oc1cccc(-c2nn[n-]n2)c1 ZINC001231121570 818035825 /nfs/dbraw/zinc/03/58/25/818035825.db2.gz MMDOVUFZRBHMKZ-HNNXBMFYSA-N -1 3 296.305 3.072 20 0 CGADHM Cc1ccccc1[C@H](C)Oc1cccc(-c2nnn[n-]2)c1 ZINC001231118541 818036387 /nfs/dbraw/zinc/03/63/87/818036387.db2.gz QWZZLXHIHCWHGC-LBPRGKRZSA-N -1 3 280.331 3.315 20 0 CGADHM Cc1ccccc1[C@H](C)Oc1cccc(-c2nn[n-]n2)c1 ZINC001231118541 818036394 /nfs/dbraw/zinc/03/63/94/818036394.db2.gz QWZZLXHIHCWHGC-LBPRGKRZSA-N -1 3 280.331 3.315 20 0 CGADHM CC(C)c1cc(-c2ccc(-c3nnn[n-]3)cc2)ccc1O ZINC001243250921 823315698 /nfs/dbraw/zinc/31/56/98/823315698.db2.gz MASLWDCVOUULEN-UHFFFAOYSA-N -1 3 280.331 3.363 20 0 CGADHM CC(C)c1cc(-c2ccc(-c3nn[n-]n3)cc2)ccc1O ZINC001243250921 823315705 /nfs/dbraw/zinc/31/57/05/823315705.db2.gz MASLWDCVOUULEN-UHFFFAOYSA-N -1 3 280.331 3.363 20 0 CGADHM [O-]c1cc(CN2CCC[C@@H](CF)C2)ccc1Cl ZINC001231733849 818161097 /nfs/dbraw/zinc/16/10/97/818161097.db2.gz IZETXNWEWSDWEB-NSHDSACASA-N -1 3 257.736 3.227 20 0 CGADHM [O-]c1c(F)ccc(CN2CCC3(CC3)CC2)c1F ZINC001232932775 818475779 /nfs/dbraw/zinc/47/57/79/818475779.db2.gz BSQXPGVKLQRQGV-UHFFFAOYSA-N -1 3 253.292 3.046 20 0 CGADHM C[C@H]1CCCCCN1Cc1ccc(F)c([O-])c1F ZINC001232935834 818477937 /nfs/dbraw/zinc/47/79/37/818477937.db2.gz NKRQEBGKMBHNBN-JTQLQIEISA-N -1 3 255.308 3.435 20 0 CGADHM [O-]c1cc(CN2CC[C@@H](c3ccncc3)C2)cc(F)c1F ZINC001232971457 818488726 /nfs/dbraw/zinc/48/87/26/818488726.db2.gz LEICKLUSFXDSIU-CYBMUJFWSA-N -1 3 290.313 3.055 20 0 CGADHM CCN(Cc1ccccc1)Cc1cc(Cl)ncc1[O-] ZINC001233033700 818505130 /nfs/dbraw/zinc/50/51/30/818505130.db2.gz UXWCVMFANUGQBZ-UHFFFAOYSA-N -1 3 276.767 3.463 20 0 CGADHM [O-]c1cccc(CN2CCC[C@H]2c2nccs2)c1F ZINC001233054844 818513739 /nfs/dbraw/zinc/51/37/39/818513739.db2.gz AJDKYFBUKKYKMR-NSHDSACASA-N -1 3 278.352 3.325 20 0 CGADHM C[C@@H]1Cc2ccccc2CN1Cc1cccc([O-])c1F ZINC001233057707 818515992 /nfs/dbraw/zinc/51/59/92/818515992.db2.gz NFKZQMVHIVEACW-GFCCVEGCSA-N -1 3 271.335 3.478 20 0 CGADHM CN(C)Cc1cccc(-c2cc(Cl)cc(C(=O)[O-])c2)n1 ZINC001243323607 823348196 /nfs/dbraw/zinc/34/81/96/823348196.db2.gz IWSHXOYUEQWNAM-UHFFFAOYSA-N -1 3 290.750 3.162 20 0 CGADHM Cc1cc([O-])c(Cl)cc1O[C@@H]1CCOC[C@H]1C ZINC001233596359 818654063 /nfs/dbraw/zinc/65/40/63/818654063.db2.gz XSQGQDHVHGBSCM-BXKDBHETSA-N -1 3 256.729 3.158 20 0 CGADHM [O-]c1coc2ccc(O[C@H]3CCOc4ccccc43)cc12 ZINC001233677118 818677506 /nfs/dbraw/zinc/67/75/06/818677506.db2.gz FVXBTQFUXLGKOU-KRWDZBQOSA-N -1 3 282.295 3.164 20 0 CGADHM [O-]c1coc2ccc(O[C@H]3CCc4cc(F)ccc43)cc12 ZINC001233680799 818678789 /nfs/dbraw/zinc/67/87/89/818678789.db2.gz NXSCRLJQRLOXNU-KRWDZBQOSA-N -1 3 284.286 3.467 20 0 CGADHM C[C@@H](Oc1cccc([O-])c1F)c1cnc2ccccn21 ZINC001233867166 818720773 /nfs/dbraw/zinc/72/07/73/818720773.db2.gz CTFYPTAPOVGUNC-SNVBAGLBSA-N -1 3 272.279 3.319 20 0 CGADHM [O-]c1cccc(OC[C@H]2CCc3ccccc3O2)c1F ZINC001233867827 818720802 /nfs/dbraw/zinc/72/08/02/818720802.db2.gz JSXLLWRXBHVCMP-GFCCVEGCSA-N -1 3 274.291 3.304 20 0 CGADHM CCCC(=O)[C@H](CCC)Oc1cccc([O-])c1F ZINC001233870498 818720912 /nfs/dbraw/zinc/72/09/12/818720912.db2.gz DOWWQYZTAPRORR-LBPRGKRZSA-N -1 3 254.301 3.448 20 0 CGADHM COC[C@H](C)OC[C@@H](C)Oc1c(Cl)ccc([O-])c1F ZINC001234262785 818819655 /nfs/dbraw/zinc/81/96/55/818819655.db2.gz HKQMMLUFHIAPBS-DTWKUNHWSA-N -1 3 292.734 3.004 20 0 CGADHM [O-]c1cc(Cl)cc(F)c1O[C@H]1COc2cnccc21 ZINC001234443586 818855562 /nfs/dbraw/zinc/85/55/62/818855562.db2.gz JPCDPNLHBWKSLV-LBPRGKRZSA-N -1 3 281.670 3.092 20 0 CGADHM CCC[C@@H](C)Oc1c(C)c([O-])cc(OC)c1C(C)=O ZINC001234790658 818924757 /nfs/dbraw/zinc/92/47/57/818924757.db2.gz ISUBICMNXGQWMS-SECBINFHSA-N -1 3 266.337 3.479 20 0 CGADHM CCC[C@H](CC(=O)OCC)Oc1nc2ccsc2[n-]1 ZINC001234849147 818933459 /nfs/dbraw/zinc/93/34/59/818933459.db2.gz YUPLWWQRZNSHAX-SECBINFHSA-N -1 3 282.365 3.125 20 0 CGADHM CCC[C@H](CC(=O)OCC)Oc1nc2sccc2[n-]1 ZINC001234849147 818933461 /nfs/dbraw/zinc/93/34/61/818933461.db2.gz YUPLWWQRZNSHAX-SECBINFHSA-N -1 3 282.365 3.125 20 0 CGADHM Cc1nc2c(ccn2C)c(-c2cc([O-])cc(Cl)c2)n1 ZINC001235898502 819208367 /nfs/dbraw/zinc/20/83/67/819208367.db2.gz JYUXXRGCFINKFD-UHFFFAOYSA-N -1 3 273.723 3.303 20 0 CGADHM CC(C)Oc1cncc(-c2cc([O-])cc(Cl)c2)n1 ZINC001235901969 819211706 /nfs/dbraw/zinc/21/17/06/819211706.db2.gz ZYLUYHNEOGBUFW-UHFFFAOYSA-N -1 3 264.712 3.290 20 0 CGADHM Cc1cn2cc(-c3cc([O-])cc(Cl)c3)ncc2n1 ZINC001235904529 819214247 /nfs/dbraw/zinc/21/42/47/819214247.db2.gz VKSRCWBHNAZZOH-UHFFFAOYSA-N -1 3 259.696 3.064 20 0 CGADHM Cc1cc(-c2nn[n-]n2)ccc1-c1cc(O)cc(Cl)c1 ZINC001235908319 819217062 /nfs/dbraw/zinc/21/70/62/819217062.db2.gz DKYLKQXXMNWJOC-UHFFFAOYSA-N -1 3 286.722 3.201 20 0 CGADHM Cc1ccc(F)c(-c2cccn(CC(C)C)c2=O)c1[O-] ZINC001236414308 819459990 /nfs/dbraw/zinc/45/99/90/819459990.db2.gz IINWVKKUYXHDTQ-UHFFFAOYSA-N -1 3 275.323 3.324 20 0 CGADHM [O-]c1cc(CN2CCC[C@@H]3C[C@@H]32)ccc1Br ZINC001236688901 819573404 /nfs/dbraw/zinc/57/34/04/819573404.db2.gz CBFAYVCMEFHRSW-PWSUYJOCSA-N -1 3 282.181 3.139 20 0 CGADHM C[C@@H]1CCN(Cc2ccc(F)c([O-])c2)CC1(F)F ZINC001236701269 819574803 /nfs/dbraw/zinc/57/48/03/819574803.db2.gz DEIQJOVPWAPFIL-SECBINFHSA-N -1 3 259.271 3.008 20 0 CGADHM CC[C@@H]1CCN(Cc2ccc(Br)c([O-])c2)C1 ZINC001236696106 819575116 /nfs/dbraw/zinc/57/51/16/819575116.db2.gz SNCAUVJTERVJDH-SNVBAGLBSA-N -1 3 284.197 3.387 20 0 CGADHM [O-]c1cc(CN2CCC[C@H]2c2ccncc2)ccc1F ZINC001236704586 819576908 /nfs/dbraw/zinc/57/69/08/819576908.db2.gz DFTWLHWPMILATJ-HNNXBMFYSA-N -1 3 272.323 3.263 20 0 CGADHM O=C(c1ccccc1)[C@H]1CCN(Cc2ccc(F)c([O-])c2)C1 ZINC001236708240 819578384 /nfs/dbraw/zinc/57/83/84/819578384.db2.gz PFDCGIYBPGDZIW-HNNXBMFYSA-N -1 3 299.345 3.236 20 0 CGADHM Fc1cc(-c2ccc(=S)[n-]n2)cc(F)c1OC(F)F ZINC001243493711 823420137 /nfs/dbraw/zinc/42/01/37/823420137.db2.gz PGGPYBMWVFTZKJ-UHFFFAOYSA-N -1 3 290.241 3.312 20 0 CGADHM [S-]c1ccoc1CN1CCc2nc(Cl)ccc2C1 ZINC001237193215 819695198 /nfs/dbraw/zinc/69/51/98/819695198.db2.gz ZCJHRTRNQHVVRO-UHFFFAOYSA-N -1 3 280.780 3.175 20 0 CGADHM C[C@@H]1CN(Cc2cc(Cl)nc(Cl)c2[O-])C2(CC2)C1 ZINC001237523106 819770408 /nfs/dbraw/zinc/77/04/08/819770408.db2.gz OQSMJFJVCJTMAG-QMMMGPOBSA-N -1 3 287.190 3.468 20 0 CGADHM CC1(C)[C@@H]2CN(Cc3cc(Cl)nc(Cl)c3[O-])C[C@@H]21 ZINC001237537985 819774018 /nfs/dbraw/zinc/77/40/18/819774018.db2.gz LPYNEHNGBTZORX-DTORHVGOSA-N -1 3 287.190 3.182 20 0 CGADHM [O-]c1cccc(-c2ccc(OC(F)F)cn2)c1F ZINC001243543185 823436271 /nfs/dbraw/zinc/43/62/71/823436271.db2.gz REVQSHCOHCDSIJ-UHFFFAOYSA-N -1 3 255.195 3.195 20 0 CGADHM CSc1nc2c(c(-c3cccc([O-])c3F)n1)CCC2 ZINC001243542569 823436277 /nfs/dbraw/zinc/43/62/77/823436277.db2.gz PEXRDKQILSNZHF-UHFFFAOYSA-N -1 3 276.336 3.199 20 0 CGADHM [O-]c1c(F)cc(CN2C[C@H]3CC[C@@H]2C3)cc1Cl ZINC001237994053 819904743 /nfs/dbraw/zinc/90/47/43/819904743.db2.gz AQEFNBKAMFOEAJ-WCBMZHEXSA-N -1 3 255.720 3.169 20 0 CGADHM Cc1nc(-c2cccnc2)cc(-c2cccc([O-])c2F)n1 ZINC001243544868 823437313 /nfs/dbraw/zinc/43/73/13/823437313.db2.gz WYTRPPQYXYOXJT-UHFFFAOYSA-N -1 3 281.290 3.359 20 0 CGADHM CC1(C)CC(=O)Nc2nc(-c3cccc([O-])c3F)ccc21 ZINC001243545653 823437987 /nfs/dbraw/zinc/43/79/87/823437987.db2.gz AMPMARLOHYIKEW-UHFFFAOYSA-N -1 3 286.306 3.213 20 0 CGADHM CCOC(=O)c1ncc(-c2cccc([O-])c2F)cc1C ZINC001243545925 823437995 /nfs/dbraw/zinc/43/79/95/823437995.db2.gz RHTFGMCNPIYXIB-UHFFFAOYSA-N -1 3 275.279 3.078 20 0 CGADHM CC(C)S(=O)(=O)c1cccc(-c2cccc([O-])c2F)c1 ZINC001243545878 823438080 /nfs/dbraw/zinc/43/80/80/823438080.db2.gz DBBHSISGZRLMCX-UHFFFAOYSA-N -1 3 294.347 3.380 20 0 CGADHM [O-]c1cccc(-c2cc(F)cc3nccnc32)c1F ZINC001243545386 823438212 /nfs/dbraw/zinc/43/82/12/823438212.db2.gz HSXNHYQMTGTNHC-UHFFFAOYSA-N -1 3 258.227 3.281 20 0 CGADHM COC(=O)c1ccc(-c2cccc([O-])c2F)c(F)c1F ZINC001243545807 823438245 /nfs/dbraw/zinc/43/82/45/823438245.db2.gz GWLJRFZBTXNQPL-UHFFFAOYSA-N -1 3 282.217 3.263 20 0 CGADHM CN1Cc2c(cccc2-c2cccc([O-])c2F)NC1=O ZINC001243545887 823438389 /nfs/dbraw/zinc/43/83/89/823438389.db2.gz QOVLZBXXJMXOPQ-UHFFFAOYSA-N -1 3 272.279 3.176 20 0 CGADHM CC(C)c1cc(-c2cccc([O-])c2F)nc(N(C)C)n1 ZINC001243546378 823438994 /nfs/dbraw/zinc/43/89/94/823438994.db2.gz LKETYDIGFNOMKY-UHFFFAOYSA-N -1 3 275.327 3.178 20 0 CGADHM COC(=O)Cc1ccc(-c2cccc([O-])c2F)cc1F ZINC001243546252 823439150 /nfs/dbraw/zinc/43/91/50/823439150.db2.gz ZKHSMBWIFCZWME-UHFFFAOYSA-N -1 3 278.254 3.053 20 0 CGADHM COC(=O)c1c(F)cc(F)cc1-c1cccc([O-])c1F ZINC001243547521 823439648 /nfs/dbraw/zinc/43/96/48/823439648.db2.gz RZYYTFVRDFCHSI-UHFFFAOYSA-N -1 3 282.217 3.263 20 0 CGADHM COC(=O)c1nc2nc(-c3cccc(C)c3C)ccc2[n-]1 ZINC001239716839 820543271 /nfs/dbraw/zinc/54/32/71/820543271.db2.gz YFQITPCXDOBLDY-UHFFFAOYSA-N -1 3 281.315 3.028 20 0 CGADHM COC(=O)c1nc2ccc(-c3cccc(C)c3C)nc2[n-]1 ZINC001239716839 820543274 /nfs/dbraw/zinc/54/32/74/820543274.db2.gz YFQITPCXDOBLDY-UHFFFAOYSA-N -1 3 281.315 3.028 20 0 CGADHM COC(=O)c1nc2ccc(-c3cccc(C)c3C)[n-]c-2n1 ZINC001239716839 820543279 /nfs/dbraw/zinc/54/32/79/820543279.db2.gz YFQITPCXDOBLDY-UHFFFAOYSA-N -1 3 281.315 3.028 20 0 CGADHM COc1ccc(-c2ccccc2-c2nnn[n-]2)cc1Cl ZINC001240032389 820795738 /nfs/dbraw/zinc/79/57/38/820795738.db2.gz WMEMNMQDGPDYAN-UHFFFAOYSA-N -1 3 286.722 3.196 20 0 CGADHM COc1ccc(-c2ccccc2-c2nn[n-]n2)cc1Cl ZINC001240032389 820795741 /nfs/dbraw/zinc/79/57/41/820795741.db2.gz WMEMNMQDGPDYAN-UHFFFAOYSA-N -1 3 286.722 3.196 20 0 CGADHM Fc1cc2[nH]ccc2c(-c2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC001240036810 820798773 /nfs/dbraw/zinc/79/87/73/820798773.db2.gz NVJBTZOYZWQKMX-UHFFFAOYSA-N -1 3 297.268 3.293 20 0 CGADHM Fc1cc2[nH]ccc2c(-c2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC001240036810 820798782 /nfs/dbraw/zinc/79/87/82/820798782.db2.gz NVJBTZOYZWQKMX-UHFFFAOYSA-N -1 3 297.268 3.293 20 0 CGADHM CC(C)(C)OC(=O)c1ccc(-c2ccc(=S)[n-]n2)cc1 ZINC001240439905 821059018 /nfs/dbraw/zinc/05/90/18/821059018.db2.gz QTACFGCCVQUNBI-UHFFFAOYSA-N -1 3 288.372 3.388 20 0 CGADHM Cc1c(F)cccc1-c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001240732425 821285659 /nfs/dbraw/zinc/28/56/59/821285659.db2.gz ODHITKAJFVXQIO-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM Cc1c(F)cccc1-c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001240732425 821285666 /nfs/dbraw/zinc/28/56/66/821285666.db2.gz ODHITKAJFVXQIO-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM Cc1cc(-c2ccc([O-])c(F)c2)nc(-c2ccccn2)n1 ZINC001240783042 821321877 /nfs/dbraw/zinc/32/18/77/821321877.db2.gz NPEBFBZNIGMDLP-UHFFFAOYSA-N -1 3 281.290 3.359 20 0 CGADHM [O-]c1ccc(-c2ccc3[nH]c(=S)[nH]c3c2)cc1F ZINC001240787530 821328422 /nfs/dbraw/zinc/32/84/22/821328422.db2.gz JNIYIIGVKCXJNX-UHFFFAOYSA-N -1 3 260.293 3.363 20 0 CGADHM COC(OC)c1ccc(-c2ccc([O-])c(F)c2)cc1 ZINC001240790001 821333084 /nfs/dbraw/zinc/33/30/84/821333084.db2.gz FRNZZSXNIQODBE-UHFFFAOYSA-N -1 3 262.280 3.490 20 0 CGADHM [O-]c1ccccc1-c1nc(C2CC2)nc2[nH]ccc21 ZINC001241007862 821484309 /nfs/dbraw/zinc/48/43/09/821484309.db2.gz BDLSPRJSFIFWHT-UHFFFAOYSA-N -1 3 251.289 3.160 20 0 CGADHM COC(=O)c1cccc2cnc(-c3ccccc3[O-])cc21 ZINC001241007673 821484650 /nfs/dbraw/zinc/48/46/50/821484650.db2.gz IJPWRQUVYVDFQY-UHFFFAOYSA-N -1 3 279.295 3.394 20 0 CGADHM Cc1cc(C(F)(F)F)c(-c2ccccc2[O-])nn1 ZINC001241008427 821485779 /nfs/dbraw/zinc/48/57/79/821485779.db2.gz GXGVLDGWFYMJJU-UHFFFAOYSA-N -1 3 254.211 3.176 20 0 CGADHM COc1c(C)nc(C2CC2)nc1-c1ccccc1[O-] ZINC001241009141 821486883 /nfs/dbraw/zinc/48/68/83/821486883.db2.gz RJXGVSBGTBSUSY-UHFFFAOYSA-N -1 3 256.305 3.044 20 0 CGADHM Nc1ccccc1-c1cc(C(F)(F)F)[n-]c(=S)n1 ZINC001241063755 821533076 /nfs/dbraw/zinc/53/30/76/821533076.db2.gz OOQRUELATIZUFD-UHFFFAOYSA-N -1 3 271.267 3.033 20 0 CGADHM S=c1ccc(-c2cccc(O[C@@H]3CCCCO3)c2)n[n-]1 ZINC001241213805 821644043 /nfs/dbraw/zinc/64/40/43/821644043.db2.gz LZBZSVBAWYITPL-OAHLLOKOSA-N -1 3 288.372 3.338 20 0 CGADHM Fc1cc(-c2cccc(-c3nnn[n-]3)c2)ccc1Cl ZINC001241231704 821656595 /nfs/dbraw/zinc/65/65/95/821656595.db2.gz FTBVOLXXNSTASF-UHFFFAOYSA-N -1 3 274.686 3.326 20 0 CGADHM Fc1cc(-c2cccc(-c3nn[n-]n3)c2)ccc1Cl ZINC001241231704 821656599 /nfs/dbraw/zinc/65/65/99/821656599.db2.gz FTBVOLXXNSTASF-UHFFFAOYSA-N -1 3 274.686 3.326 20 0 CGADHM CSc1ncc(C)c(-c2cc([O-])cc(F)c2)n1 ZINC001241255900 821676292 /nfs/dbraw/zinc/67/62/92/821676292.db2.gz HBUHVDWOFSPEBL-UHFFFAOYSA-N -1 3 250.298 3.019 20 0 CGADHM Cc1nc(-c2cc([O-])cc(F)c2)cc(C(F)(F)F)n1 ZINC001241257147 821676999 /nfs/dbraw/zinc/67/69/99/821676999.db2.gz GEDHMPSDKGNSBM-UHFFFAOYSA-N -1 3 272.201 3.316 20 0 CGADHM COC(=O)c1c(C)cccc1-c1cc([O-])cc(F)c1 ZINC001241267014 821686821 /nfs/dbraw/zinc/68/68/21/821686821.db2.gz RJXIMVJJSQVNKB-UHFFFAOYSA-N -1 3 260.264 3.293 20 0 CGADHM O=c1ccc(-c2cc([O-])cc(F)c2)cn1Cc1ccccc1 ZINC001241277687 821696527 /nfs/dbraw/zinc/69/65/27/821696527.db2.gz PARVAJRBKYOHEE-UHFFFAOYSA-N -1 3 295.313 3.408 20 0 CGADHM CC1(C)C(=O)Nc2cc(-c3cc([O-])cc(F)c3)ccc21 ZINC001241280911 821699402 /nfs/dbraw/zinc/69/94/02/821699402.db2.gz YMVLRGNKKKDGPU-UHFFFAOYSA-N -1 3 271.291 3.428 20 0 CGADHM Cc1cc(-c2ccc(-c3nnn[n-]3)cc2C)ccc1F ZINC001241282376 821701934 /nfs/dbraw/zinc/70/19/34/821701934.db2.gz MTBDBLXQVNLZLI-UHFFFAOYSA-N -1 3 268.295 3.290 20 0 CGADHM Cc1cc(-c2ccc(-c3nn[n-]n3)cc2C)ccc1F ZINC001241282376 821701939 /nfs/dbraw/zinc/70/19/39/821701939.db2.gz MTBDBLXQVNLZLI-UHFFFAOYSA-N -1 3 268.295 3.290 20 0 CGADHM CN(C)C(=O)c1ccc(F)c(-c2cc([O-])cc(F)c2)c1 ZINC001241283120 821703429 /nfs/dbraw/zinc/70/34/29/821703429.db2.gz RNHXOXRAJUZQLE-UHFFFAOYSA-N -1 3 277.270 3.039 20 0 CGADHM COc1cc(F)ccc1-c1c(F)ccc([O-])c1F ZINC001241291421 821708028 /nfs/dbraw/zinc/70/80/28/821708028.db2.gz ONYKCCHLZMOTAX-UHFFFAOYSA-N -1 3 254.207 3.485 20 0 CGADHM CCOC(=O)Cc1cccc(-c2c(F)ccc([O-])c2F)c1 ZINC001241291613 821709594 /nfs/dbraw/zinc/70/95/94/821709594.db2.gz STUIHCUUUMGEEF-UHFFFAOYSA-N -1 3 292.281 3.443 20 0 CGADHM [O-]c1ccc(F)c(-c2cnc(OCC3CCC3)nc2)c1F ZINC001241293838 821712099 /nfs/dbraw/zinc/71/20/99/821712099.db2.gz CGPGHQZZWHDHJF-UHFFFAOYSA-N -1 3 292.285 3.306 20 0 CGADHM CC(C)(C)c1ncc(-c2c(F)ccc([O-])c2F)cn1 ZINC001241293710 821712716 /nfs/dbraw/zinc/71/27/16/821712716.db2.gz LGUYODBHNOYFAB-UHFFFAOYSA-N -1 3 264.275 3.425 20 0 CGADHM COC(=O)c1c(F)cccc1-c1c(F)ccc([O-])c1F ZINC001241293812 821712920 /nfs/dbraw/zinc/71/29/20/821712920.db2.gz PAXVOAAVXFWEOE-UHFFFAOYSA-N -1 3 282.217 3.263 20 0 CGADHM Cc1ccc2c(ccnc2-c2ccc(-c3nnn[n-]3)cc2)c1 ZINC001241441657 821836088 /nfs/dbraw/zinc/83/60/88/821836088.db2.gz RENLUHHJDVMHSZ-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM Cc1ccc2c(ccnc2-c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001241441657 821836094 /nfs/dbraw/zinc/83/60/94/821836094.db2.gz RENLUHHJDVMHSZ-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM Fc1cc(-c2ccc(-c3nnn[n-]3)cc2)c(F)c(F)c1F ZINC001241443153 821836957 /nfs/dbraw/zinc/83/69/57/821836957.db2.gz AIRQOBYHLHNYJD-UHFFFAOYSA-N -1 3 294.211 3.090 20 0 CGADHM Fc1cc(-c2ccc(-c3nn[n-]n3)cc2)c(F)c(F)c1F ZINC001241443153 821836966 /nfs/dbraw/zinc/83/69/66/821836966.db2.gz AIRQOBYHLHNYJD-UHFFFAOYSA-N -1 3 294.211 3.090 20 0 CGADHM Cc1c2[nH]ccc2ccc1-c1ccc(-c2nnn[n-]2)cc1 ZINC001241444766 821837640 /nfs/dbraw/zinc/83/76/40/821837640.db2.gz GFRJSCSBMZLVEO-UHFFFAOYSA-N -1 3 275.315 3.323 20 0 CGADHM Cc1c2[nH]ccc2ccc1-c1ccc(-c2nn[n-]n2)cc1 ZINC001241444766 821837642 /nfs/dbraw/zinc/83/76/42/821837642.db2.gz GFRJSCSBMZLVEO-UHFFFAOYSA-N -1 3 275.315 3.323 20 0 CGADHM Fc1cccc2cc(-c3ccc(-c4nnn[n-]4)cc3)cnc12 ZINC001241444377 821837777 /nfs/dbraw/zinc/83/77/77/821837777.db2.gz ARSZEKVGBRWTCM-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Fc1cccc2cc(-c3ccc(-c4nn[n-]n4)cc3)cnc12 ZINC001241444377 821837784 /nfs/dbraw/zinc/83/77/84/821837784.db2.gz ARSZEKVGBRWTCM-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Cc1c[nH]c2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc12 ZINC001241443697 821838572 /nfs/dbraw/zinc/83/85/72/821838572.db2.gz XRHITNCAEPHTIF-UHFFFAOYSA-N -1 3 275.315 3.323 20 0 CGADHM Cc1c[nH]c2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc12 ZINC001241443697 821838578 /nfs/dbraw/zinc/83/85/78/821838578.db2.gz XRHITNCAEPHTIF-UHFFFAOYSA-N -1 3 275.315 3.323 20 0 CGADHM Cc1cc2[nH]ccc2c(-c2ccc(-c3nnn[n-]3)cc2)c1 ZINC001241445654 821839767 /nfs/dbraw/zinc/83/97/67/821839767.db2.gz SMCQQFUCMVBHID-UHFFFAOYSA-N -1 3 275.315 3.323 20 0 CGADHM Cc1cc2[nH]ccc2c(-c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001241445654 821839770 /nfs/dbraw/zinc/83/97/70/821839770.db2.gz SMCQQFUCMVBHID-UHFFFAOYSA-N -1 3 275.315 3.323 20 0 CGADHM CCc1ccc(F)c(-c2ccc(-c3nnn[n-]3)cc2)c1 ZINC001241446262 821843449 /nfs/dbraw/zinc/84/34/49/821843449.db2.gz SRTIFKAABZVCLQ-UHFFFAOYSA-N -1 3 268.295 3.235 20 0 CGADHM CCc1ccc(F)c(-c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001241446262 821843457 /nfs/dbraw/zinc/84/34/57/821843457.db2.gz SRTIFKAABZVCLQ-UHFFFAOYSA-N -1 3 268.295 3.235 20 0 CGADHM Cc1cc(-c2nn[n-]n2)ccc1-c1ccc2n[nH]cc2c1C ZINC001241477711 821877308 /nfs/dbraw/zinc/87/73/08/821877308.db2.gz PNGUIIDHONSZNN-UHFFFAOYSA-N -1 3 290.330 3.027 20 0 CGADHM CCc1cccc(-c2ccc(C)c(-c3nnn[n-]3)c2)c1 ZINC001241549171 821939461 /nfs/dbraw/zinc/93/94/61/821939461.db2.gz GDSYHZGRTDCAHM-UHFFFAOYSA-N -1 3 264.332 3.405 20 0 CGADHM CCc1cccc(-c2ccc(C)c(-c3nn[n-]n3)c2)c1 ZINC001241549171 821939465 /nfs/dbraw/zinc/93/94/65/821939465.db2.gz GDSYHZGRTDCAHM-UHFFFAOYSA-N -1 3 264.332 3.405 20 0 CGADHM COc1cc(Cl)ccc1-c1cccc(-c2nnn[n-]2)c1 ZINC001241902796 822204284 /nfs/dbraw/zinc/20/42/84/822204284.db2.gz OVMABTICOLKGAQ-UHFFFAOYSA-N -1 3 286.722 3.196 20 0 CGADHM COc1cc(Cl)ccc1-c1cccc(-c2nn[n-]n2)c1 ZINC001241902796 822204289 /nfs/dbraw/zinc/20/42/89/822204289.db2.gz OVMABTICOLKGAQ-UHFFFAOYSA-N -1 3 286.722 3.196 20 0 CGADHM Cc1cc(-c2ccc(F)cc2[O-])ccc1N1CCOCC1 ZINC001242218413 822915179 /nfs/dbraw/zinc/91/51/79/822915179.db2.gz DBZCVFVEUJILBM-UHFFFAOYSA-N -1 3 287.334 3.343 20 0 CGADHM CC1(c2cccc(-c3ccc(F)cc3[O-])c2)OCCO1 ZINC001242219098 822915766 /nfs/dbraw/zinc/91/57/66/822915766.db2.gz XHANFLSLRWMUQM-UHFFFAOYSA-N -1 3 274.291 3.418 20 0 CGADHM COC(=O)c1cc(-c2ccc(F)cc2[O-])c(OC)cc1C ZINC001242219596 822916292 /nfs/dbraw/zinc/91/62/92/822916292.db2.gz WVOATMSLSLNVTD-UHFFFAOYSA-N -1 3 290.290 3.302 20 0 CGADHM Fc1ccc(-c2ccc3cccnc3c2)cc1-c1nnn[n-]1 ZINC001242251518 822928021 /nfs/dbraw/zinc/92/80/21/822928021.db2.gz JBXLMQFEMBVFEF-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Fc1ccc(-c2ccc3cccnc3c2)cc1-c1nn[n-]n1 ZINC001242251518 822928022 /nfs/dbraw/zinc/92/80/22/822928022.db2.gz JBXLMQFEMBVFEF-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM CCOC(=O)c1cccc(-c2cccc(F)c2[O-])c1 ZINC001242350172 822960662 /nfs/dbraw/zinc/96/06/62/822960662.db2.gz BDTHUPMEYYYALH-UHFFFAOYSA-N -1 3 260.264 3.375 20 0 CGADHM C[S@@](=N)(=O)c1ccc(-c2cccc(F)c2[O-])cc1 ZINC001242352165 822961827 /nfs/dbraw/zinc/96/18/27/822961827.db2.gz OYWZPPOXCKPANA-GOSISDBHSA-N -1 3 265.309 3.234 20 0 CGADHM COC(=O)c1c(F)cc(-c2cccc(F)c2[O-])cc1OC ZINC001242353257 822962613 /nfs/dbraw/zinc/96/26/13/822962613.db2.gz KZAWCIFTNANFMR-UHFFFAOYSA-N -1 3 294.253 3.133 20 0 CGADHM [O-]c1c(F)cccc1-c1cncc(OC(F)(F)F)c1 ZINC001242352442 822962702 /nfs/dbraw/zinc/96/27/02/822962702.db2.gz IOKTZDYZPLXQCH-UHFFFAOYSA-N -1 3 273.185 3.492 20 0 CGADHM CC(C)(C)ONC(=O)N=c1nc(-c2ccccc2)[n-]s1 ZINC001340013798 936395162 /nfs/dbraw/zinc/39/51/62/936395162.db2.gz UYPCDMLRSIUUOX-UHFFFAOYSA-N -1 3 292.364 3.057 20 0 CGADHM Cc1cc(C)c(C(=O)CCCC(=O)[N-]OC(C)C)c(C)c1 ZINC001344389565 936532455 /nfs/dbraw/zinc/53/24/55/936532455.db2.gz ILEAUOVQBMUHFY-UHFFFAOYSA-N -1 3 291.391 3.421 20 0 CGADHM O=C([N-][C@@H](c1ccc(F)c(Cl)c1)C1CC1)C(F)F ZINC001344400453 936532561 /nfs/dbraw/zinc/53/25/61/936532561.db2.gz DGBOAVGQYJAOGJ-SNVBAGLBSA-N -1 3 277.673 3.312 20 0 CGADHM C[C@@H](c1ccccc1)N(C(=O)c1ccc(O)cc1[O-])C1CC1 ZINC001346105544 936838502 /nfs/dbraw/zinc/83/85/02/936838502.db2.gz JLVYWZPBNXTKQW-LBPRGKRZSA-N -1 3 297.354 3.464 20 0 CGADHM Cc1ccc(C(=O)N(C)c2cccc3c2CCCN3)c([O-])c1 ZINC001353668785 937073910 /nfs/dbraw/zinc/07/39/10/937073910.db2.gz DRNQPFWEHJZPQO-UHFFFAOYSA-N -1 3 296.370 3.335 20 0 CGADHM CON(Cc1ccc(C)o1)C(=O)c1ccc(C)c(C)c1[O-] ZINC001350632414 926808772 /nfs/dbraw/zinc/80/87/72/926808772.db2.gz YSPOCUYXEDCVTK-UHFFFAOYSA-N -1 3 289.331 3.114 20 0 CGADHM C[C@@H](CCC(=O)[N-]OCc1ccccn1)c1ccccc1 ZINC000909544177 927256342 /nfs/dbraw/zinc/25/63/42/927256342.db2.gz IUVWKBMZUUHTIS-AWEZNQCLSA-N -1 3 284.359 3.213 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)SCC2CCCC2)n1 ZINC001559477304 937210153 /nfs/dbraw/zinc/21/01/53/937210153.db2.gz UXXLTQRYLBMCKC-SNVBAGLBSA-N -1 3 252.383 3.475 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)SCC2CCCC2)n1 ZINC001559477303 937210212 /nfs/dbraw/zinc/21/02/12/937210212.db2.gz UXXLTQRYLBMCKC-JTQLQIEISA-N -1 3 252.383 3.475 20 0 CGADHM Cc1nc2c(cccc2[N-]C(=O)c2c(F)ccnc2F)o1 ZINC001436241324 937277345 /nfs/dbraw/zinc/27/73/45/937277345.db2.gz HGQAHULJQGPEHW-UHFFFAOYSA-N -1 3 289.241 3.062 20 0 CGADHM CSc1cc(Cl)ccc1[N-]C(=O)c1ncccn1 ZINC001437584144 937296229 /nfs/dbraw/zinc/29/62/29/937296229.db2.gz NXLFIFIRJPBILQ-UHFFFAOYSA-N -1 3 279.752 3.104 20 0 CGADHM CC(C)(Nc1ccccc1)C(=O)Nc1cc(F)ccc1[O-] ZINC001447287408 937367894 /nfs/dbraw/zinc/36/78/94/937367894.db2.gz LECSAONBMLNCKI-UHFFFAOYSA-N -1 3 288.322 3.361 20 0 CGADHM CCc1c(C(=O)Nc2cc(Cl)ccc2[O-])cnn1CC ZINC001546000610 937371013 /nfs/dbraw/zinc/37/10/13/937371013.db2.gz VMTJOPOWAUTJAC-UHFFFAOYSA-N -1 3 293.754 3.077 20 0 CGADHM O=C(CCCc1ccc(C2CC2)cc1)[N-]OCC1CC1 ZINC001450201786 937384242 /nfs/dbraw/zinc/38/42/42/937384242.db2.gz VTYPSTHAWIJUGO-UHFFFAOYSA-N -1 3 273.376 3.345 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)C[C@@H]1C[C@H]1Cc1ccccc1 ZINC001450379430 937385139 /nfs/dbraw/zinc/38/51/39/937385139.db2.gz ZZAYGVGPWACXSJ-BMFZPTHFSA-N -1 3 275.392 3.349 20 0 CGADHM CCc1cccc(C(=O)Nc2cccc(C(C)=O)c2O)c1[O-] ZINC001450606911 937385917 /nfs/dbraw/zinc/38/59/17/937385917.db2.gz KWPZXOGHPLTYOX-UHFFFAOYSA-N -1 3 299.326 3.115 20 0 CGADHM CCC[C@@H](NC(=O)c1cc2c(cc1[O-])OCO2)C(C)(C)C ZINC001449794289 937382006 /nfs/dbraw/zinc/38/20/06/937382006.db2.gz VQIJCAWJWITRSA-CQSZACIVSA-N -1 3 293.363 3.066 20 0 CGADHM CCc1ccc(C(=O)Nc2cccc3nsnc32)c([O-])c1 ZINC001454266978 937407725 /nfs/dbraw/zinc/40/77/25/937407725.db2.gz MJXBAQGPJANPCQ-UHFFFAOYSA-N -1 3 299.355 3.212 20 0 CGADHM O=C(c1ccccc1[O-])N1C[C@@H](C2CC2)C[C@H]1C1CC1 ZINC001456554546 937432698 /nfs/dbraw/zinc/43/26/98/937432698.db2.gz RYYDPZBJXNVVEV-ZFWWWQNUSA-N -1 3 271.360 3.043 20 0 CGADHM CCCCOc1ccc(C(=O)NC(CC)CC)c([O-])c1 ZINC001457461940 937443150 /nfs/dbraw/zinc/44/31/50/937443150.db2.gz FPMALDIVYSEACD-UHFFFAOYSA-N -1 3 279.380 3.490 20 0 CGADHM CC(=O)c1ccsc1[N-]C(=O)c1nc(Cl)cs1 ZINC001460381627 937530345 /nfs/dbraw/zinc/53/03/45/937530345.db2.gz OZPVWNOBWGILTO-UHFFFAOYSA-N -1 3 286.765 3.313 20 0 CGADHM CC(=O)c1cc(C(C)C)c([O-])cc1O[C@H](C)C(C)=O ZINC001228958661 932059958 /nfs/dbraw/zinc/05/99/58/932059958.db2.gz NSQABNKSTIQSKR-LLVKDONJSA-N -1 3 264.321 3.075 20 0 CGADHM C[C@H](Oc1cccc([O-])c1Br)C1CC1 ZINC001229139609 932103464 /nfs/dbraw/zinc/10/34/64/932103464.db2.gz IXWKOLRJDAUYEV-ZETCQYMHSA-N -1 3 257.127 3.332 20 0 CGADHM Cc1csc2[n-]c(=S)nc(O[C@H](C)C3CC3)c12 ZINC001229352306 932138178 /nfs/dbraw/zinc/13/81/78/932138178.db2.gz NEEYRNFPXKAAAF-SSDOTTSWSA-N -1 3 266.391 3.466 20 0 CGADHM C[C@@H]1CC(Oc2ccc(-c3nn[n-]n3)cc2)C[C@@H](C)C1 ZINC001231072690 932670885 /nfs/dbraw/zinc/67/08/85/932670885.db2.gz FVBXBJKJARMKFI-QWRGUYRKSA-N -1 3 272.352 3.070 20 0 CGADHM CC[C@H]1[C@@H](C)CCN1Cc1ccc([O-])c(F)c1F ZINC001462142535 937620937 /nfs/dbraw/zinc/62/09/37/937620937.db2.gz XARLEDMBFFBGTO-ONGXEEELSA-N -1 3 255.308 3.291 20 0 CGADHM Cc1ccc([C@@H]2C[C@H]2c2nnc(-c3ccc([O-])cn3)o2)cc1 ZINC001257209031 932729877 /nfs/dbraw/zinc/72/98/77/932729877.db2.gz FSASIKAHPGLDNF-UONOGXRCSA-N -1 3 293.326 3.417 20 0 CGADHM Cc1ccc(C(=O)Nc2c[nH]nc2C(F)(F)F)c([O-])c1C ZINC001303568760 932829580 /nfs/dbraw/zinc/82/95/80/932829580.db2.gz XCBDVFWHKLTGRE-UHFFFAOYSA-N -1 3 299.252 3.003 20 0 CGADHM CCc1ccc(CN2Cc3nc(C4CC4)[n-]c(=O)c3C2)cc1 ZINC001308053454 933041704 /nfs/dbraw/zinc/04/17/04/933041704.db2.gz ZXNYILQXGZZMNO-UHFFFAOYSA-N -1 3 295.386 3.138 20 0 CGADHM COCc1csc(CNCc2ccc([O-])c(F)c2F)c1 ZINC001308867879 933194588 /nfs/dbraw/zinc/19/45/88/933194588.db2.gz YIYWEUIALLDUGQ-UHFFFAOYSA-N -1 3 299.342 3.168 20 0 CGADHM Cc1cc(C(=O)[N-]c2nnc(C(C)C)s2)sc1C=O ZINC001464386437 937689645 /nfs/dbraw/zinc/68/96/45/937689645.db2.gz DUTAERFINVGNIE-UHFFFAOYSA-N -1 3 295.389 3.096 20 0 CGADHM CCSCC[C@@H](C)NC(=O)c1ccc(CC)cc1[O-] ZINC001465451549 937701059 /nfs/dbraw/zinc/70/10/59/937701059.db2.gz PWTWSIWTPKXILA-LLVKDONJSA-N -1 3 281.421 3.216 20 0 CGADHM CCS[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(C)cc1[O-] ZINC001465729123 937703004 /nfs/dbraw/zinc/70/30/04/937703004.db2.gz DLFZSBQAFUHVOP-DZGCQCFKSA-N -1 3 293.432 3.495 20 0 CGADHM CCc1ccc(OC(=O)c2ccc(F)c([O-])c2)c(OC)c1 ZINC001466559168 937710241 /nfs/dbraw/zinc/71/02/41/937710241.db2.gz RWJNCFVAVYMPBP-UHFFFAOYSA-N -1 3 290.290 3.322 20 0 CGADHM CCOC[C@H](NC(=O)c1ccc(C(C)C)cc1[O-])C(C)C ZINC001467659750 937720456 /nfs/dbraw/zinc/72/04/56/937720456.db2.gz XDRYBZRDCFZPQM-HNNXBMFYSA-N -1 3 293.407 3.307 20 0 CGADHM CO[C@@H]([C@H](C)NC(=O)c1ccc(C(C)C)cc1[O-])C1CC1 ZINC001468086498 937724447 /nfs/dbraw/zinc/72/44/47/937724447.db2.gz ABZCMYMSPXHKGT-ZBEGNZNMSA-N -1 3 291.391 3.059 20 0 CGADHM CCc1ccc(C(=O)N[C@@H](CC)c2ccccn2)c([O-])c1 ZINC001468773879 937731274 /nfs/dbraw/zinc/73/12/74/937731274.db2.gz ZBYQZZMPGGEBJZ-AWEZNQCLSA-N -1 3 284.359 3.231 20 0 CGADHM Cc1ccc(C(=O)N[C@@H]2C[C@H]2c2ccccc2F)c([O-])c1 ZINC001468844688 937732411 /nfs/dbraw/zinc/73/24/11/937732411.db2.gz XZMQTTHRLIDPEE-DZGCQCFKSA-N -1 3 285.318 3.126 20 0 CGADHM CC/C=C\CNC(=O)c1cc2sccc2c([O-])c1 ZINC001468429313 937728034 /nfs/dbraw/zinc/72/80/34/937728034.db2.gz QGZLTKNUPCHMOU-ARJAWSKDSA-N -1 3 261.346 3.303 20 0 CGADHM CCOc1ncc(C)cc1NC(=O)c1ccc(C)cc1[O-] ZINC001468451317 937728446 /nfs/dbraw/zinc/72/84/46/937728446.db2.gz PQFKQZRMVNFXKT-UHFFFAOYSA-N -1 3 286.331 3.055 20 0 CGADHM CC(C)c1ccc(C(=O)NCC2CC(C)C2)c([O-])c1 ZINC001470439267 937753136 /nfs/dbraw/zinc/75/31/36/937753136.db2.gz COJGJIXHGXMYKO-UHFFFAOYSA-N -1 3 261.365 3.292 20 0 CGADHM CCC[C@H](CNC(=O)c1ccc(C(C)C)cc1[O-])OCC ZINC001470486694 937753780 /nfs/dbraw/zinc/75/37/80/937753780.db2.gz MBGKWBBWHMTUAC-CQSZACIVSA-N -1 3 293.407 3.451 20 0 CGADHM C[C@H]1CC[C@@H]1NC(=O)c1cc2sccc2c([O-])c1 ZINC001322790561 934337367 /nfs/dbraw/zinc/33/73/67/934337367.db2.gz XLZQTCNAYLVTHJ-KWQFWETISA-N -1 3 261.346 3.135 20 0 CGADHM CCc1ccc(C(=O)NC[C@]2(C)CC2(C)C)c([O-])c1 ZINC001471619102 937767753 /nfs/dbraw/zinc/76/77/53/937767753.db2.gz HGDWPEHCNUIFLF-INIZCTEOSA-N -1 3 261.365 3.121 20 0 CGADHM Cc1cc(=O)[n-]c(CN[C@@H](C)c2cccc(C3CC3)c2)n1 ZINC001473503844 937809413 /nfs/dbraw/zinc/80/94/13/937809413.db2.gz NHGVAPYTFZHGTB-LBPRGKRZSA-N -1 3 283.375 3.219 20 0 CGADHM O=C(OCC[C@@H]1CCOC1)c1cc2sccc2c([O-])c1 ZINC001325459487 934913417 /nfs/dbraw/zinc/91/34/17/934913417.db2.gz WIVJMEUFOCEULC-JTQLQIEISA-N -1 3 292.356 3.190 20 0 CGADHM C[C@H](CN(C)CCC(F)(F)F)C(=O)c1ccc([O-])cc1 ZINC001332618936 935479104 /nfs/dbraw/zinc/47/91/04/935479104.db2.gz DNROQADKMPCHEL-SNVBAGLBSA-N -1 3 289.297 3.095 20 0 CGADHM CC(C)c1ocnc1CN1[C@H](C)C[C@H](C)[C@@H](C(=O)[O-])[C@H]1C ZINC001334739517 936111174 /nfs/dbraw/zinc/11/11/74/936111174.db2.gz WZKVIFZORQBKHD-FMCLSXCISA-N -1 3 294.395 3.118 20 0 CGADHM Cc1cc(CO[N-]C(=O)Cc2ccc(C)cc2)cs1 ZINC001336933636 936228757 /nfs/dbraw/zinc/22/87/57/936228757.db2.gz GRJIARYTUBOTKD-UHFFFAOYSA-N -1 3 275.373 3.155 20 0 CGADHM CO[C@H](CNCc1ccc([O-])c(F)c1F)C1CCCCC1 ZINC001474646616 937872669 /nfs/dbraw/zinc/87/26/69/937872669.db2.gz VQOJTTVFLXDQCA-CQSZACIVSA-N -1 3 299.361 3.355 20 0 CGADHM O=C([N-]c1nocc1C1CC1)c1ccoc1Br ZINC001536865949 938107158 /nfs/dbraw/zinc/10/71/58/938107158.db2.gz LUADIKCCIOKPQA-UHFFFAOYSA-N -1 3 297.108 3.160 20 0 CGADHM Cc1coc(COC(=O)c2cccc(Cl)c2[O-])c1 ZINC001537909690 938114206 /nfs/dbraw/zinc/11/42/06/938114206.db2.gz WVRSKACQZKEDBW-UHFFFAOYSA-N -1 3 266.680 3.304 20 0 CGADHM CC(C)c1cc([N-]C(=O)c2ccc(Cl)o2)no1 ZINC001538231848 938116508 /nfs/dbraw/zinc/11/65/08/938116508.db2.gz LREWQUZJPTXCPK-UHFFFAOYSA-N -1 3 254.673 3.297 20 0 CGADHM O=C([N-]c1nc2ccsc2s1)c1c(F)ccnc1F ZINC001538710003 938120210 /nfs/dbraw/zinc/12/02/10/938120210.db2.gz WXJOCWJSOOMYPC-UHFFFAOYSA-N -1 3 297.311 3.283 20 0 CGADHM O=C(Cc1cccc([O-])c1F)NCC1CCC2(CC2)CC1 ZINC001549884495 938160781 /nfs/dbraw/zinc/16/07/81/938160781.db2.gz VWDYGYZLZDOQCP-UHFFFAOYSA-N -1 3 291.366 3.160 20 0 CGADHM O=C([O-])[C@H]1CN(Cc2ccc(Cl)c(F)c2)C[C@@H]1C1CC1 ZINC001550936128 938172873 /nfs/dbraw/zinc/17/28/73/938172873.db2.gz SMJMNHXAQRJOPR-NEPJUHHUSA-N -1 3 297.757 3.022 20 0 CGADHM CC(C)(C)O[N-]C(=O)C[C@H]1C[C@H]1Cc1ccccc1 ZINC001553236016 938197571 /nfs/dbraw/zinc/19/75/71/938197571.db2.gz PXAFURIMCLWAKK-ZIAGYGMSSA-N -1 3 261.365 3.102 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CC[C@H](CC)[C@@H]2C)c1 ZINC001556272470 938202823 /nfs/dbraw/zinc/20/28/23/938202823.db2.gz BKOROFGKCQEDSE-AAEUAGOBSA-N -1 3 261.365 3.215 20 0 CGADHM Cc1ccc(C(=O)Nc2c([O-])cccc2Cl)cc1O ZINC001556784506 938205797 /nfs/dbraw/zinc/20/57/97/938205797.db2.gz WECKKYNRNLLROJ-UHFFFAOYSA-N -1 3 277.707 3.312 20 0 CGADHM CC(C)(C)O[N-]C(=O)C[C@H](c1cccs1)n1cccc1 ZINC001558954484 938218650 /nfs/dbraw/zinc/21/86/50/938218650.db2.gz NAKQGBUWHUSUCW-GFCCVEGCSA-N -1 3 292.404 3.375 20 0 CGADHM O=C([O-])c1ccc(CN2CCC[C@@]3(CC3(F)F)C2)s1 ZINC001595227570 949321559 /nfs/dbraw/zinc/32/15/59/949321559.db2.gz ZWQIBRKFWLKLJE-GFCCVEGCSA-N -1 3 287.331 3.068 20 0 CGADHM Cc1nc(C)c([C@H](C)NCc2ccccc2C(=O)[O-])s1 ZINC000235500992 949866317 /nfs/dbraw/zinc/86/63/17/949866317.db2.gz KZYLHPQZSYQRJH-VIFPVBQESA-N -1 3 290.388 3.309 20 0 CGADHM CNc1ccc(C)cc1CN[C@](C)(C(=O)[O-])c1ccccc1 ZINC001593803662 954870391 /nfs/dbraw/zinc/87/03/91/954870391.db2.gz PFVHLJUIAOKCIY-SFHVURJKSA-N -1 3 298.386 3.126 20 0 CGADHM Cc1cc(=O)[n-]c(CSc2nccc3ccccc32)n1 ZINC001166413434 958844252 /nfs/dbraw/zinc/84/42/52/958844252.db2.gz MLBYUBAJFSHYHA-UHFFFAOYSA-N -1 3 283.356 3.331 20 0 CGADHM CCC[C@@]1(C)CCCN(Cc2ccc(C(=O)[O-])[nH]2)C1 ZINC001595617689 960534482 /nfs/dbraw/zinc/53/44/82/960534482.db2.gz WLOVDVXKXDCNCW-HNNXBMFYSA-N -1 3 264.369 3.115 20 0 CGADHM O=C([O-])c1sccc1CNCc1ccc(Cl)s1 ZINC000236481063 960668639 /nfs/dbraw/zinc/66/86/39/960668639.db2.gz GUAAGERIIXQQRH-UHFFFAOYSA-N -1 3 287.793 3.451 20 0 CGADHM COc1cccc(C(=O)Nc2cccc([O-])c2F)c1C ZINC001566435617 960927532 /nfs/dbraw/zinc/92/75/32/960927532.db2.gz PIHDTOHFHKHRLN-UHFFFAOYSA-N -1 3 275.279 3.101 20 0 CGADHM CC1(CNC(=O)c2ccccc2[O-])CCCCCC1 ZINC001566909296 961052786 /nfs/dbraw/zinc/05/27/86/961052786.db2.gz WXPCDAJKJNZUID-UHFFFAOYSA-N -1 3 261.365 3.483 20 0 CGADHM O=C(Nc1ccc(Cl)cc1[O-])c1cccc2c1OCC2 ZINC001567234912 961145351 /nfs/dbraw/zinc/14/53/51/961145351.db2.gz QMBULLUQFJNXLS-UHFFFAOYSA-N -1 3 289.718 3.233 20 0 CGADHM C[C@@H]1CCN(Cc2cc(C(=O)[O-])ccc2F)C[C@H]1C ZINC000253066848 961297316 /nfs/dbraw/zinc/29/73/16/961297316.db2.gz JMWGWAFHXVMMIO-GHMZBOCLSA-N -1 3 265.328 3.002 20 0 CGADHM CCc1cc(O)ccc1NC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC001567553061 961359845 /nfs/dbraw/zinc/35/98/45/961359845.db2.gz XXNCEOMYDLVSCR-UHFFFAOYSA-N -1 3 299.326 3.115 20 0 CGADHM CC[C@@H](C)CCNc1ncc(Cl)c(C)c1-c1nnn[n-]1 ZINC001576652387 962485062 /nfs/dbraw/zinc/48/50/62/962485062.db2.gz QTXVFYKQQSSTIC-MRVPVSSYSA-N -1 3 294.790 3.072 20 0 CGADHM CC[C@@H](C)CCNc1ncc(Cl)c(C)c1-c1nn[n-]n1 ZINC001576652387 962485073 /nfs/dbraw/zinc/48/50/73/962485073.db2.gz QTXVFYKQQSSTIC-MRVPVSSYSA-N -1 3 294.790 3.072 20 0 CGADHM Cc1ccc(CSCc2ccccn2)cc1-c1nnn[n-]1 ZINC001581201691 962749527 /nfs/dbraw/zinc/74/95/27/962749527.db2.gz OGGNXRGOFPTMNW-UHFFFAOYSA-N -1 3 297.387 3.004 20 0 CGADHM Cc1ccc(CSCc2ccccn2)cc1-c1nn[n-]n1 ZINC001581201691 962749535 /nfs/dbraw/zinc/74/95/35/962749535.db2.gz OGGNXRGOFPTMNW-UHFFFAOYSA-N -1 3 297.387 3.004 20 0 CGADHM CCc1nnsc1C(=O)[N-]c1c(F)cccc1Cl ZINC001584765544 962953097 /nfs/dbraw/zinc/95/30/97/962953097.db2.gz UKJWWGFBCUOCSY-UHFFFAOYSA-N -1 3 285.731 3.145 20 0 CGADHM Cc1cccc([O-])c1C(=O)N[C@H]1CCc2ccc(F)cc21 ZINC001585651881 963035850 /nfs/dbraw/zinc/03/58/50/963035850.db2.gz QIJYCYBGELIDCC-AWEZNQCLSA-N -1 3 285.318 3.257 20 0 CGADHM Cc1cc(NC(=O)c2[n-]cnc2C(F)(F)F)cs1 ZINC001586118202 963068578 /nfs/dbraw/zinc/06/85/78/963068578.db2.gz XPEWWOCVJCKKOG-UHFFFAOYSA-N -1 3 275.255 3.051 20 0 CGADHM Cc1cc(NC(=O)c2nc[n-]c2C(F)(F)F)cs1 ZINC001586118202 963068589 /nfs/dbraw/zinc/06/85/89/963068589.db2.gz XPEWWOCVJCKKOG-UHFFFAOYSA-N -1 3 275.255 3.051 20 0 CGADHM CC(C)c1cc([N-]C(=O)c2csc(Cl)n2)no1 ZINC001586726822 963134342 /nfs/dbraw/zinc/13/43/42/963134342.db2.gz SASNHYVKTCFKQT-UHFFFAOYSA-N -1 3 271.729 3.160 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2cncc(C(F)F)c2)c1 ZINC001587826050 963225549 /nfs/dbraw/zinc/22/55/49/963225549.db2.gz FLDHCIHULMUNOA-UHFFFAOYSA-N -1 3 278.258 3.286 20 0 CGADHM CC(C)c1cc(NC(=O)c2cccc3n[n-]nc32)ccc1O ZINC001588464590 963274005 /nfs/dbraw/zinc/27/40/05/963274005.db2.gz YBZHJWFDIKKSPD-UHFFFAOYSA-N -1 3 296.330 3.039 20 0 CGADHM Cc1[nH]c(CNCc2ccc(F)c(Cl)c2)cc1C(=O)[O-] ZINC000312816061 963595289 /nfs/dbraw/zinc/59/52/89/963595289.db2.gz IRMALJFEQIJQIO-UHFFFAOYSA-N -1 3 296.729 3.104 20 0 CGADHM CC(C)CCCCN[C@H](C)c1ncc(C(=O)[O-])s1 ZINC000315291488 963875137 /nfs/dbraw/zinc/87/51/37/963875137.db2.gz HNLVSUKMQVRHRH-SNVBAGLBSA-N -1 3 270.398 3.318 20 0 CGADHM C[C@H](C(=O)[O-])[C@H](NCC=C(Cl)Cl)c1ccccc1 ZINC001589468850 963992023 /nfs/dbraw/zinc/99/20/23/963992023.db2.gz FSVFDUNOFBBRCU-CABZTGNLSA-N -1 3 288.174 3.357 20 0 CGADHM CC(C)CN(CCC1CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC001589619289 964005048 /nfs/dbraw/zinc/00/50/48/964005048.db2.gz RCPAUXPSUGIEEO-UHFFFAOYSA-N -1 3 285.395 3.129 20 0 CGADHM CC[C@@]1(C(=O)[O-])CCCN(Cc2cc(C)nc(Cl)c2)C1 ZINC001589606371 964005671 /nfs/dbraw/zinc/00/56/71/964005671.db2.gz NDRXRDUWKUGXTP-OAHLLOKOSA-N -1 3 296.798 3.120 20 0 CGADHM CC(C)c1[nH]c(CN2CCC[C@H](CCF)C2)cc1C(=O)[O-] ZINC001591912156 976338704 /nfs/dbraw/zinc/33/87/04/976338704.db2.gz FOKYMEMPLPMHPG-GFCCVEGCSA-N -1 3 296.386 3.408 20 0 CGADHM CC[C@H](CN[C@@H](C)c1ncc(C(=O)[O-])s1)CC(F)F ZINC001595165397 979708367 /nfs/dbraw/zinc/70/83/67/979708367.db2.gz CBFDKFLXEPMRJH-YUMQZZPRSA-N -1 3 292.351 3.173 20 0 CGADHM CC[C@H](C)[C@H](N[C@@H](C(F)F)C1CCCCC1)C(=O)[O-] ZINC001594911894 982419152 /nfs/dbraw/zinc/41/91/52/982419152.db2.gz DVNZHSSLYBKJJM-ZMLRMANQSA-N -1 3 277.355 3.289 20 0 CGADHM CC(C)(/C=C\Cl)NCc1ccsc1C(=O)[O-] ZINC001590615520 990291137 /nfs/dbraw/zinc/29/11/37/990291137.db2.gz WIHYIJUIQCQRFY-PLNGDYQASA-N -1 3 259.758 3.067 20 0 CGADHM CC(C)C[C@@]1(C)CCCN1Cc1ncc(C(=O)[O-])s1 ZINC001591196938 992013715 /nfs/dbraw/zinc/01/37/15/992013715.db2.gz OVIMQTCWYZEPEJ-CQSZACIVSA-N -1 3 282.409 3.242 20 0 CGADHM CC(C)CC[C@@H]1CCCCN1Cc1cc(C(=O)[O-])no1 ZINC001591227422 992099208 /nfs/dbraw/zinc/09/92/08/992099208.db2.gz HHMAYMRYUUSQAZ-LBPRGKRZSA-N -1 3 280.368 3.164 20 0 CGADHM C[C@@H](NCC12CCC(CC1)C2)c1ncc(C(=O)[O-])s1 ZINC001593252572 994507070 /nfs/dbraw/zinc/50/70/70/994507070.db2.gz TYUBHTLIXGKRGX-NAUIOFCNSA-N -1 3 280.393 3.072 20 0 CGADHM C[C@@H](c1ncc(C(=O)[O-])s1)N1CC[C@H](C2CCC2)C1 ZINC001593732112 996307917 /nfs/dbraw/zinc/30/79/17/996307917.db2.gz OCKRWBNWQLXEDR-ONGXEEELSA-N -1 3 280.393 3.024 20 0 CGADHM C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)N1Cc1ccsc1Cl ZINC001594211103 998821326 /nfs/dbraw/zinc/82/13/26/998821326.db2.gz YWHFLKZOHVUIPX-DOFRTFSJSA-N -1 3 287.812 3.475 20 0 CGADHM C[C@@H]1CCC(C)(C)N1Cc1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC001594296903 999144535 /nfs/dbraw/zinc/14/45/35/999144535.db2.gz YALOQZBEPNEJCT-SNVBAGLBSA-N -1 3 287.363 3.024 20 0 CGADHM C[C@@H](c1ncc(C(=O)[O-])s1)N(C)[C@H]1CCCC[C@H]1C ZINC001594366769 999386032 /nfs/dbraw/zinc/38/60/32/999386032.db2.gz RBMZVJOGRTUNQD-VWYCJHECSA-N -1 3 282.409 3.413 20 0 CGADHM CCc1cccc(C(=O)N(C)C[C@H]2CC2(C)C)c1[O-] ZINC000621050943 349453291 /nfs/dbraw/zinc/45/32/91/349453291.db2.gz YRRPGYULLFVLSB-GFCCVEGCSA-N -1 3 261.365 3.073 20 0 CGADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1C2CCC1CC2 ZINC000621387018 349516591 /nfs/dbraw/zinc/51/65/91/349516591.db2.gz XHQRDGRLXQKGEH-UHFFFAOYSA-N -1 3 285.265 3.178 20 0 CGADHM c1sc([N-]c2ncnc3ccncc32)nc1C1CC1 ZINC000337517652 214134088 /nfs/dbraw/zinc/13/40/88/214134088.db2.gz MZNOMPSGAGLMES-UHFFFAOYSA-N -1 3 269.333 3.102 20 0 CGADHM Cc1cc(CC(=O)Nc2ccc(C(C)(C)C)cc2[O-])no1 ZINC000337603487 214177553 /nfs/dbraw/zinc/17/75/53/214177553.db2.gz BVTAVDLUQPGNLI-UHFFFAOYSA-N -1 3 288.347 3.167 20 0 CGADHM C[C@H](CNC(=O)c1cc([O-])cc(C(F)(F)F)c1)C1CC1 ZINC000621721624 349565727 /nfs/dbraw/zinc/56/57/27/349565727.db2.gz VZFPTCMIQIGKJG-MRVPVSSYSA-N -1 3 287.281 3.187 20 0 CGADHM CC[C@H]1CCN1C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622064945 349625207 /nfs/dbraw/zinc/62/52/07/349625207.db2.gz VWEIDXLKGKZDJJ-JTQLQIEISA-N -1 3 273.254 3.036 20 0 CGADHM CC[C@@H](C)[C@H](NC(=O)c1cccc(C)c1[O-])C(F)(F)F ZINC000436998476 529420207 /nfs/dbraw/zinc/42/02/07/529420207.db2.gz CJRNGNWFMZAJEU-PELKAZGASA-N -1 3 289.297 3.407 20 0 CGADHM CC[C@@H](C)n1nc(C(=O)Nc2cc(F)ccc2[O-])cc1C ZINC000437008083 529438947 /nfs/dbraw/zinc/43/89/47/529438947.db2.gz ZWOUQWVIUKOTEE-SECBINFHSA-N -1 3 291.326 3.260 20 0 CGADHM CCc1ccc(C(=O)NCc2cc(C)cc(OC)c2)c([O-])c1 ZINC000622457928 349680902 /nfs/dbraw/zinc/68/09/02/349680902.db2.gz SOTDTMNFZAJSKF-UHFFFAOYSA-N -1 3 299.370 3.202 20 0 CGADHM CCCc1cnc(NC(=O)c2cc(C)ccc2[O-])s1 ZINC000622487418 349682625 /nfs/dbraw/zinc/68/26/25/349682625.db2.gz BPEJVDVXXPMVAN-UHFFFAOYSA-N -1 3 276.361 3.362 20 0 CGADHM CCc1cccc(C(=O)NCCc2sccc2C)c1[O-] ZINC000622483067 349682785 /nfs/dbraw/zinc/68/27/85/349682785.db2.gz RXCMLZWJKFJKPE-UHFFFAOYSA-N -1 3 289.400 3.297 20 0 CGADHM Cc1ccc(F)c(CC(=O)Nc2ccc([O-])cc2F)c1 ZINC000622495197 349683245 /nfs/dbraw/zinc/68/32/45/349683245.db2.gz QSSJEGOIFJTPSN-UHFFFAOYSA-N -1 3 277.270 3.160 20 0 CGADHM Cc1ncccc1N(C)C(=O)c1cc([O-])ccc1Cl ZINC000622625263 349690621 /nfs/dbraw/zinc/69/06/21/349690621.db2.gz UURMFQSLFPVOJJ-UHFFFAOYSA-N -1 3 276.723 3.026 20 0 CGADHM CC(C)O[C@H]1C[C@@H](NC(=O)c2ccc(C(C)C)cc2[O-])C1 ZINC000622686843 349694098 /nfs/dbraw/zinc/69/40/98/349694098.db2.gz VNHQBCDCCYNIOM-OKILXGFUSA-N -1 3 291.391 3.201 20 0 CGADHM CC(C)O[C@H]1C[C@@H](NCc2cccc([O-])c2Cl)C1 ZINC000459634603 534928514 /nfs/dbraw/zinc/92/85/14/534928514.db2.gz OMMCZAAQPOPGGX-TXEJJXNPSA-N -1 3 269.772 3.091 20 0 CGADHM O=C(c1cccc([O-])c1)N1CCc2sc(Cl)cc2C1 ZINC000622735231 349697644 /nfs/dbraw/zinc/69/76/44/349697644.db2.gz QLHHKHXBPCNJKY-UHFFFAOYSA-N -1 3 293.775 3.306 20 0 CGADHM O=C(c1ccccc1[O-])N1CCc2sc(Cl)cc2C1 ZINC000622736036 349697749 /nfs/dbraw/zinc/69/77/49/349697749.db2.gz OLCBIOAQILBKMF-UHFFFAOYSA-N -1 3 293.775 3.306 20 0 CGADHM CCc1ccc(C(=O)Nc2ccc3[nH]cnc3c2)c([O-])c1 ZINC000436830501 529610281 /nfs/dbraw/zinc/61/02/81/529610281.db2.gz VLJMLRWMYVRKGS-UHFFFAOYSA-N -1 3 281.315 3.083 20 0 CGADHM CCc1ccc(C(=O)Nc2ccc3nc[nH]c3c2)c([O-])c1 ZINC000436830501 529610283 /nfs/dbraw/zinc/61/02/83/529610283.db2.gz VLJMLRWMYVRKGS-UHFFFAOYSA-N -1 3 281.315 3.083 20 0 CGADHM CCc1ccc(C(=O)N2CCC[C@@H](C)[C@H]2C)c([O-])c1 ZINC000191773345 529596583 /nfs/dbraw/zinc/59/65/83/529596583.db2.gz YZGQJLHBONMZCX-VXGBXAGGSA-N -1 3 261.365 3.215 20 0 CGADHM CC[C@H](C)CN(C)C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000436959652 529650384 /nfs/dbraw/zinc/65/03/84/529650384.db2.gz AXVTUTWYWVFPSF-LBPRGKRZSA-N -1 3 275.392 3.389 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2C[C@H](C)C[C@H]2CC)c1 ZINC000436590995 529691566 /nfs/dbraw/zinc/69/15/66/529691566.db2.gz VFPKICXCOPZISI-DGCLKSJQSA-N -1 3 261.365 3.215 20 0 CGADHM CCc1ccc([O-])c(C(=O)NC[C@H]2CCC(F)(F)C2)c1 ZINC000435965001 529691926 /nfs/dbraw/zinc/69/19/26/529691926.db2.gz YMZMEQCPEOHEBC-NSHDSACASA-N -1 3 283.318 3.120 20 0 CGADHM Cc1ccc([O-])c(CN2CC[C@H](C(F)(F)F)C[C@H]2C)n1 ZINC000295023951 199305119 /nfs/dbraw/zinc/30/51/19/199305119.db2.gz NJYPVKSVKYDCAI-MNOVXSKESA-N -1 3 288.313 3.258 20 0 CGADHM O=C([N-]c1nc2c(s1)CCCC2)c1ocnc1C(F)F ZINC000623556724 349833361 /nfs/dbraw/zinc/83/33/61/349833361.db2.gz VUAFHWKINHOHNF-UHFFFAOYSA-N -1 3 299.302 3.200 20 0 CGADHM CC[C@H](CC(=O)Nc1ncccc1[O-])c1ccccc1 ZINC000351479134 219101324 /nfs/dbraw/zinc/10/13/24/219101324.db2.gz IRXOKLKCGYNUBX-GFCCVEGCSA-N -1 3 270.332 3.310 20 0 CGADHM Cc1cccc([O-])c1C(=O)N(C)C1CCC(C)CC1 ZINC000623544711 349830380 /nfs/dbraw/zinc/83/03/80/349830380.db2.gz HAJFIPRDZPBCAZ-UHFFFAOYSA-N -1 3 261.365 3.351 20 0 CGADHM CC(C)Cc1nnc([N-]C(=O)c2ccc(Cl)cn2)s1 ZINC000128021229 187347033 /nfs/dbraw/zinc/34/70/33/187347033.db2.gz QMVVJZBKAMTOPM-UHFFFAOYSA-N -1 3 296.783 3.037 20 0 CGADHM O=c1cc(CSCCC[C@@H]2CCOC2)nc(C2CC2)[n-]1 ZINC000592455124 346989061 /nfs/dbraw/zinc/98/90/61/346989061.db2.gz HULYDPAKVKQIBV-LLVKDONJSA-N -1 3 294.420 3.110 20 0 CGADHM C[C@@H]1CCCCCN1Cc1c(F)ccc([O-])c1F ZINC000351590058 219135124 /nfs/dbraw/zinc/13/51/24/219135124.db2.gz PYRXMAPHJPHWGO-SNVBAGLBSA-N -1 3 255.308 3.435 20 0 CGADHM CCC[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000016093411 344885642 /nfs/dbraw/zinc/88/56/42/344885642.db2.gz FZWOVBAYMNTZLO-MRVPVSSYSA-N -1 3 296.219 3.460 20 0 CGADHM CCC[C@@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000016093397 344885677 /nfs/dbraw/zinc/88/56/77/344885677.db2.gz VJMQXJKOEVDKKD-MRVPVSSYSA-N -1 3 296.219 3.460 20 0 CGADHM O=C([N-]c1nncs1)c1ccc(-c2ccc(F)cc2)o1 ZINC000021214456 344892392 /nfs/dbraw/zinc/89/23/92/344892392.db2.gz BTJDTITXFSWOET-UHFFFAOYSA-N -1 3 289.291 3.190 20 0 CGADHM CCCCCc1nnc([N-]C(=O)c2ccoc2)s1 ZINC000026558852 344907353 /nfs/dbraw/zinc/90/73/53/344907353.db2.gz GTJOGJNIKLTEQO-UHFFFAOYSA-N -1 3 265.338 3.116 20 0 CGADHM Cc1nnc([N-]C(=O)c2cc3cc(C)ccc3o2)s1 ZINC000041308068 344968350 /nfs/dbraw/zinc/96/83/50/344968350.db2.gz YBRDWNXVRZBXPK-UHFFFAOYSA-N -1 3 273.317 3.153 20 0 CGADHM CC[C@@H]1CN(Cc2cccc([O-])c2Cl)CCS1 ZINC000351625459 219153081 /nfs/dbraw/zinc/15/30/81/219153081.db2.gz ZCVZBHUUVLCIGT-LLVKDONJSA-N -1 3 271.813 3.373 20 0 CGADHM COc1ccc(CCCC(=O)Nc2ccccc2[O-])cc1 ZINC000061620145 345231122 /nfs/dbraw/zinc/23/11/22/345231122.db2.gz SANCOANMXXDZPU-UHFFFAOYSA-N -1 3 285.343 3.362 20 0 CGADHM COc1ccc(Cl)cc1CN1CCC[C@@](C)(C(=O)[O-])C1 ZINC000062876543 345240780 /nfs/dbraw/zinc/24/07/80/345240780.db2.gz AJUAACSEMUNMPX-OAHLLOKOSA-N -1 3 297.782 3.035 20 0 CGADHM CCCCCc1nnc([N-]C(=O)c2cnc(C)s2)s1 ZINC000063451992 345247146 /nfs/dbraw/zinc/24/71/46/345247146.db2.gz DMROHRLIPIIWHV-UHFFFAOYSA-N -1 3 296.421 3.288 20 0 CGADHM CCc1cc(=O)[n-]c(-c2ccc(NC3CCCCC3)nc2)n1 ZINC000068621187 345357074 /nfs/dbraw/zinc/35/70/74/345357074.db2.gz ZDKYBAYHEHZUNJ-UHFFFAOYSA-N -1 3 298.390 3.139 20 0 CGADHM CC(C)C[C@H](C)CC(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000069375170 345379784 /nfs/dbraw/zinc/37/97/84/345379784.db2.gz PAHCTVPYJFMJHH-JTQLQIEISA-N -1 3 276.340 3.076 20 0 CGADHM CC(C)C[C@H](C)CC(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000069375170 345379786 /nfs/dbraw/zinc/37/97/86/345379786.db2.gz PAHCTVPYJFMJHH-JTQLQIEISA-N -1 3 276.340 3.076 20 0 CGADHM CC(C)C[C@H](C)CC(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000069375170 345379788 /nfs/dbraw/zinc/37/97/88/345379788.db2.gz PAHCTVPYJFMJHH-JTQLQIEISA-N -1 3 276.340 3.076 20 0 CGADHM CN(CCCCCC(=O)[O-])Cc1ccc(Cl)s1 ZINC000071286383 345402698 /nfs/dbraw/zinc/40/26/98/345402698.db2.gz KKJUVSYQEWNVMC-UHFFFAOYSA-N -1 3 275.801 3.478 20 0 CGADHM CC(C)c1ccc(C(=O)N2C[C@H](C)[C@@H](C)C2)c([O-])c1 ZINC000075412059 345507622 /nfs/dbraw/zinc/50/76/22/345507622.db2.gz NATMFSSUAAAOKH-RYUDHWBXSA-N -1 3 261.365 3.244 20 0 CGADHM CN(CC1CC1)[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000076522322 345545609 /nfs/dbraw/zinc/54/56/09/345545609.db2.gz WDNNXJJGOUYWIW-GFCCVEGCSA-N -1 3 288.174 3.461 20 0 CGADHM C[C@@H](c1ccc(F)cc1)N1CCC(CCC(=O)[O-])CC1 ZINC000086756139 345750595 /nfs/dbraw/zinc/75/05/95/345750595.db2.gz PWEWCEYYPGJTPH-LBPRGKRZSA-N -1 3 279.355 3.464 20 0 CGADHM CCCCOCC(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000081458614 345709910 /nfs/dbraw/zinc/70/99/10/345709910.db2.gz IERARPOXLKAMMM-UHFFFAOYSA-N -1 3 291.269 3.166 20 0 CGADHM C[C@H](CCC[C@H](C)C(=O)[O-])NCc1ccc(F)cc1F ZINC000087678003 345757008 /nfs/dbraw/zinc/75/70/08/345757008.db2.gz FUCIEIJJKUNXSG-WDEREUQCSA-N -1 3 285.334 3.334 20 0 CGADHM O=C([O-])c1ccc(CN2CCC[C@@H]3CCC[C@@H]32)c(F)c1 ZINC000087785875 345757492 /nfs/dbraw/zinc/75/74/92/345757492.db2.gz CXJZTGAJEJXMTI-NHYWBVRUSA-N -1 3 277.339 3.288 20 0 CGADHM CCc1cccc(C(=O)N2CCC[C@@H](CC)C2)c1[O-] ZINC000081939385 345720630 /nfs/dbraw/zinc/72/06/30/345720630.db2.gz MMVBPUJJYQVXQC-GFCCVEGCSA-N -1 3 261.365 3.217 20 0 CGADHM COc1ccc(CN(C)[C@H](C)c2ccc(C(=O)[O-])o2)cc1 ZINC000091780963 345823135 /nfs/dbraw/zinc/82/31/35/345823135.db2.gz IOCRCWADYHUREX-LLVKDONJSA-N -1 3 289.331 3.179 20 0 CGADHM Cc1ccc(CN(C)[C@@H](C)c2ccc(C(=O)[O-])o2)cc1 ZINC000091780260 345823517 /nfs/dbraw/zinc/82/35/17/345823517.db2.gz HUYBZVZYSPWEJY-LBPRGKRZSA-N -1 3 273.332 3.479 20 0 CGADHM C[C@H]1CC[C@H](C)N1C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000092599692 345846849 /nfs/dbraw/zinc/84/68/49/345846849.db2.gz MECFZGXLNFKIND-QWRGUYRKSA-N -1 3 289.375 3.119 20 0 CGADHM Cc1cc(N2CCC(CC(=O)[O-])CC2)c2ccccc2n1 ZINC000093679836 345884196 /nfs/dbraw/zinc/88/41/96/345884196.db2.gz HEBISISCUZZQAO-UHFFFAOYSA-N -1 3 284.359 3.234 20 0 CGADHM COc1cccc(C(=O)Nc2ncc(C(C)C)s2)c1[O-] ZINC000172673400 232274090 /nfs/dbraw/zinc/27/40/90/232274090.db2.gz RYCIWWUTFFDGEE-UHFFFAOYSA-N -1 3 292.360 3.233 20 0 CGADHM Cc1ccc2nc(-c3ccc(F)cc3)[n-]c(=O)c2c1 ZINC000116755299 345979750 /nfs/dbraw/zinc/97/97/50/345979750.db2.gz XBLBVFZCHNIZRI-UHFFFAOYSA-N -1 3 254.264 3.038 20 0 CGADHM Cc1cccc2c1CCN2C(=O)c1cccc(C)c1[O-] ZINC000125816368 346020408 /nfs/dbraw/zinc/02/04/08/346020408.db2.gz RMWORNOSNCQNAT-UHFFFAOYSA-N -1 3 267.328 3.212 20 0 CGADHM Cc1cnc([N-]C(=O)c2c(F)ccc(F)c2F)s1 ZINC000131973546 346069510 /nfs/dbraw/zinc/06/95/10/346069510.db2.gz UCBZAMITINEMPV-UHFFFAOYSA-N -1 3 272.251 3.121 20 0 CGADHM Cc1ccc2c(c1)CC[C@H](C(=O)Nc1ccccc1[O-])O2 ZINC000137750920 346094644 /nfs/dbraw/zinc/09/46/44/346094644.db2.gz ZKWYJIUNEKLEMF-MRXNPFEDSA-N -1 3 283.327 3.033 20 0 CGADHM Cc1sc(C(=O)[O-])cc1CN1CCCC(C)(C)C1 ZINC000155985944 346156370 /nfs/dbraw/zinc/15/63/70/346156370.db2.gz AGUZHWQSNUCRKE-UHFFFAOYSA-N -1 3 267.394 3.377 20 0 CGADHM CSc1ccccc1C(=O)NCc1ccc([O-])c(F)c1 ZINC000172416636 346221819 /nfs/dbraw/zinc/22/18/19/346221819.db2.gz HVXXZYQGKYKGIN-UHFFFAOYSA-N -1 3 291.347 3.183 20 0 CGADHM Cc1nc(C)c(C(=O)Nc2cc(Cl)cc(C)c2[O-])o1 ZINC000175240558 346246964 /nfs/dbraw/zinc/24/69/64/346246964.db2.gz UDBJLDVXFVROOD-UHFFFAOYSA-N -1 3 280.711 3.211 20 0 CGADHM C[C@H](c1ccc(F)cc1F)N1CCC[C@](C)(C(=O)[O-])C1 ZINC000227830773 346311818 /nfs/dbraw/zinc/31/18/18/346311818.db2.gz CALXDVVRQOTWDV-BMIGLBTASA-N -1 3 283.318 3.213 20 0 CGADHM CCc1ccc([O-])c(C(=O)NCCCc2ccc(O)cc2)c1 ZINC000261409107 346402744 /nfs/dbraw/zinc/40/27/44/346402744.db2.gz DRDYGKIOFXJGLG-UHFFFAOYSA-N -1 3 299.370 3.023 20 0 CGADHM C[C@H]1CCCN(Cc2ccc(C(=O)[O-])cc2F)[C@H]1C ZINC000252212472 346390710 /nfs/dbraw/zinc/39/07/10/346390710.db2.gz WSUMSLFJYXFZNS-QWRGUYRKSA-N -1 3 265.328 3.144 20 0 CGADHM CCc1cccc(NC(=O)c2cc(C(F)(F)F)n[n-]2)c1 ZINC000339226119 215025859 /nfs/dbraw/zinc/02/58/59/215025859.db2.gz DYYQEOVXQAZOBH-UHFFFAOYSA-N -1 3 283.253 3.243 20 0 CGADHM CCc1cccc(NC(=O)c2cc(C(F)(F)F)[n-]n2)c1 ZINC000339226119 215025861 /nfs/dbraw/zinc/02/58/61/215025861.db2.gz DYYQEOVXQAZOBH-UHFFFAOYSA-N -1 3 283.253 3.243 20 0 CGADHM Cc1ccc(F)c(C(=O)N=c2cc(-c3ccccc3)[n-][nH]2)c1 ZINC000589160626 346785994 /nfs/dbraw/zinc/78/59/94/346785994.db2.gz KPXHNVZCLHLJEE-UHFFFAOYSA-N -1 3 295.317 3.198 20 0 CGADHM COc1cc(NCc2c(F)ccc([O-])c2F)cc(OC)c1 ZINC000351838981 219221936 /nfs/dbraw/zinc/22/19/36/219221936.db2.gz MFZCEPVYOVRTIV-UHFFFAOYSA-N -1 3 295.285 3.300 20 0 CGADHM Cc1ccccc1OCc1nc(-c2ccc([O-])cc2)no1 ZINC000598527356 347663586 /nfs/dbraw/zinc/66/35/86/347663586.db2.gz PSKAQHRFUSTJDL-UHFFFAOYSA-N -1 3 282.299 3.330 20 0 CGADHM Cc1cncc(CNCc2cccc([O-])c2Cl)c1 ZINC000339330161 215098655 /nfs/dbraw/zinc/09/86/55/215098655.db2.gz ONNQRSBNTCUZEG-UHFFFAOYSA-N -1 3 262.740 3.039 20 0 CGADHM CSCc1ccc(-c2nc3ccc(O)cc3c(=O)[n-]2)cc1 ZINC000351861333 219228993 /nfs/dbraw/zinc/22/89/93/219228993.db2.gz KWDPMXOYRWLKCB-UHFFFAOYSA-N -1 3 298.367 3.159 20 0 CGADHM O=C1CC[C@H](CSCc2cc([O-])ccc2Cl)CCN1 ZINC000600631027 347818929 /nfs/dbraw/zinc/81/89/29/347818929.db2.gz JNHGIUZYTHEGHZ-JTQLQIEISA-N -1 3 299.823 3.195 20 0 CGADHM C[C@H](CC(=O)Nc1ccccc1[O-])C(=O)c1ccccc1 ZINC000602323207 347947735 /nfs/dbraw/zinc/94/77/35/347947735.db2.gz WVHZVUAAPRHHPO-GFCCVEGCSA-N -1 3 283.327 3.240 20 0 CGADHM Cc1ccccc1CN(CC(=O)[O-])Cc1ccc(F)cc1 ZINC000604771992 348132649 /nfs/dbraw/zinc/13/26/49/348132649.db2.gz PTUSSIYKLQKXAE-UHFFFAOYSA-N -1 3 287.334 3.221 20 0 CGADHM Cc1ccc([O-])c(C(=O)NCCOC2CCCCCC2)c1 ZINC000605335227 348153131 /nfs/dbraw/zinc/15/31/31/348153131.db2.gz ZMAFYLYMAWDBFQ-UHFFFAOYSA-N -1 3 291.391 3.170 20 0 CGADHM C[C@H](CCC(C)(C)C)[N-]S(=O)(=O)c1cccs1 ZINC000605593099 348164465 /nfs/dbraw/zinc/16/44/65/348164465.db2.gz MXSJTDXSQOVKRQ-SNVBAGLBSA-N -1 3 275.439 3.241 20 0 CGADHM C[C@H]1CCCC[C@H]1CC(=O)NCc1ccc([O-])c(F)c1 ZINC000606537418 348189910 /nfs/dbraw/zinc/18/99/10/348189910.db2.gz REBQZGKANXYPRI-AAEUAGOBSA-N -1 3 279.355 3.364 20 0 CGADHM Cc1ccc([O-])c(C(=O)NCc2cc3ccccc3o2)c1 ZINC000611889837 348479641 /nfs/dbraw/zinc/47/96/41/348479641.db2.gz PFMWPNBXYTUPTE-UHFFFAOYSA-N -1 3 281.311 3.377 20 0 CGADHM Cc1ccc(CN(C(=O)c2ccc(C)cc2[O-])C2CC2)o1 ZINC000612550012 348526832 /nfs/dbraw/zinc/52/68/32/348526832.db2.gz VBLCXZZFJQYDGG-UHFFFAOYSA-N -1 3 285.343 3.407 20 0 CGADHM Cc1ccn([C@H](C)CC(=O)Nc2ccc(Cl)cc2[O-])n1 ZINC000613028678 348560098 /nfs/dbraw/zinc/56/00/98/348560098.db2.gz RIPXMNAVPJIRQP-SNVBAGLBSA-N -1 3 293.754 3.140 20 0 CGADHM CCC(CC)N(CC)C(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000614941631 348701078 /nfs/dbraw/zinc/70/10/78/348701078.db2.gz XXVHDQVBHWYQDX-UHFFFAOYSA-N -1 3 277.364 3.246 20 0 CGADHM CCC[C@H](C)CC(=O)NCc1ccc([O-])c2ncccc12 ZINC000616025476 348782561 /nfs/dbraw/zinc/78/25/61/348782561.db2.gz PDFSMAJVFHHWAF-LBPRGKRZSA-N -1 3 286.375 3.383 20 0 CGADHM CC(C)(CC(=O)NCc1ccc([O-])c2ncccc12)C1CC1 ZINC000616022154 348782565 /nfs/dbraw/zinc/78/25/65/348782565.db2.gz DCNLBXYNLNCMEO-UHFFFAOYSA-N -1 3 298.386 3.383 20 0 CGADHM C[C@H](C(=O)NCc1ccc([O-])c2ncccc12)C1CCCC1 ZINC000616025398 348782681 /nfs/dbraw/zinc/78/26/81/348782681.db2.gz NGCFJZKWQYRIDY-LBPRGKRZSA-N -1 3 298.386 3.383 20 0 CGADHM CCc1ccc([O-])c(C(=O)NC(C)(C)C(F)(F)F)c1 ZINC000616204123 348798075 /nfs/dbraw/zinc/79/80/75/348798075.db2.gz PFNSBQXHICFGIU-UHFFFAOYSA-N -1 3 275.270 3.025 20 0 CGADHM CC(C)(C)C[C@@H](O)CC(=O)Nc1ccc([O-])cc1Cl ZINC000616939700 348885189 /nfs/dbraw/zinc/88/51/89/348885189.db2.gz KHTGHWKKMKBMMQ-JTQLQIEISA-N -1 3 285.771 3.171 20 0 CGADHM CO[C@H](CC(C)C)C(=O)Nc1ccc([O-])cc1Cl ZINC000616942755 348885747 /nfs/dbraw/zinc/88/57/47/348885747.db2.gz BPKHYZPEXTXWNF-GFCCVEGCSA-N -1 3 271.744 3.045 20 0 CGADHM O=C(C[C@@H]1CC[C@H]2C[C@H]21)Nc1ccc([O-])cc1Cl ZINC000616942776 348885940 /nfs/dbraw/zinc/88/59/40/348885940.db2.gz CKZBMZVXPSJJLQ-ATZCPNFKSA-N -1 3 265.740 3.420 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-]CC[C@@H]2CCCC[C@@H]2C)o1 ZINC000358424981 233131209 /nfs/dbraw/zinc/13/12/09/233131209.db2.gz HJAVLTPSPVYNPX-AAEUAGOBSA-N -1 3 285.409 3.083 20 0 CGADHM O=C(c1ccc(O)cc1[O-])N1CCCC2(CCCC2)CC1 ZINC000617564286 348969436 /nfs/dbraw/zinc/96/94/36/348969436.db2.gz LWTNHOZNOWIBTA-UHFFFAOYSA-N -1 3 289.375 3.284 20 0 CGADHM O=C(c1cccc2[n-]nnc21)N1CC[C@H](C2CCCCC2)C1 ZINC000618185044 349058527 /nfs/dbraw/zinc/05/85/27/349058527.db2.gz KJFKXFRUOUNEGF-ZDUSSCGKSA-N -1 3 298.390 3.000 20 0 CGADHM O=C(c1cccc2nn[n-]c21)N1CC[C@H](C2CCCCC2)C1 ZINC000618185044 349058529 /nfs/dbraw/zinc/05/85/29/349058529.db2.gz KJFKXFRUOUNEGF-ZDUSSCGKSA-N -1 3 298.390 3.000 20 0 CGADHM O=C(c1cccc2n[n-]nc21)N1CC[C@H](C2CCCCC2)C1 ZINC000618185044 349058531 /nfs/dbraw/zinc/05/85/31/349058531.db2.gz KJFKXFRUOUNEGF-ZDUSSCGKSA-N -1 3 298.390 3.000 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2cnc(C(F)(F)F)s2)n1 ZINC000352026123 219293108 /nfs/dbraw/zinc/29/31/08/219293108.db2.gz ILKAISZQPOKQOM-IHWYPQMZSA-N -1 3 287.266 3.136 20 0 CGADHM CC[C@](C)(NC(=O)c1cc([O-])ccc1Cl)C1CC1 ZINC000618959658 349185760 /nfs/dbraw/zinc/18/57/60/349185760.db2.gz CZFFRMOZJSAQHU-AWEZNQCLSA-N -1 3 267.756 3.354 20 0 CGADHM O=c1[n-]nc(SCCC2CC2)n1CCc1ccccc1 ZINC000358873318 233206483 /nfs/dbraw/zinc/20/64/83/233206483.db2.gz HPMVUDRQAMOXNC-UHFFFAOYSA-N -1 3 289.404 3.119 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2ccnn2-c2ccccc2C)n1 ZINC000352035874 219298210 /nfs/dbraw/zinc/29/82/10/219298210.db2.gz UOLXILASISTELK-FPLPWBNLSA-N -1 3 292.342 3.155 20 0 CGADHM Cc1nc(C2CC2)oc1C(=O)[N-]c1c(F)cccc1F ZINC000273487109 192171436 /nfs/dbraw/zinc/17/14/36/192171436.db2.gz OCVWLIJSZSKIIA-UHFFFAOYSA-N -1 3 278.258 3.391 20 0 CGADHM Cc1cc(C(=O)NC(C)(C2CC2)C2CC2)ccc1[O-] ZINC000620026133 349308366 /nfs/dbraw/zinc/30/83/66/349308366.db2.gz OACUTOYIOPOITK-UHFFFAOYSA-N -1 3 259.349 3.009 20 0 CGADHM CCn1nc(C=Cc2nc(C)cc(=O)[n-]2)c2ccccc21 ZINC000352036127 219299083 /nfs/dbraw/zinc/29/90/83/219299083.db2.gz WJCSABJGHKJWFQ-HJWRWDBZSA-N -1 3 280.331 3.031 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2cc(Cl)cs2)n1 ZINC000352036063 219299282 /nfs/dbraw/zinc/29/92/82/219299282.db2.gz VOAGTZMPQUAPCB-IHWYPQMZSA-N -1 3 252.726 3.376 20 0 CGADHM C[C@@H](CC(=O)Nc1nnc(C(F)(F)F)[n-]1)CC(C)(C)C ZINC000620446115 349373379 /nfs/dbraw/zinc/37/33/79/349373379.db2.gz RGMHBQUZIXAZIU-ZETCQYMHSA-N -1 3 292.305 3.224 20 0 CGADHM C[C@@H](CC(=O)Nc1nc(C(F)(F)F)n[n-]1)CC(C)(C)C ZINC000620446115 349373384 /nfs/dbraw/zinc/37/33/84/349373384.db2.gz RGMHBQUZIXAZIU-ZETCQYMHSA-N -1 3 292.305 3.224 20 0 CGADHM Cc1cccc([O-])c1C(=O)Nc1cnc(C(C)(C)C)nc1 ZINC000624631856 350071657 /nfs/dbraw/zinc/07/16/57/350071657.db2.gz XVFMUDFXJCBMSN-UHFFFAOYSA-N -1 3 285.347 3.040 20 0 CGADHM [O-]c1ccc(Cl)c(CN2CCOCC3(CCC3)C2)c1 ZINC000625324092 350159248 /nfs/dbraw/zinc/15/92/48/350159248.db2.gz COJNDVNRFJRPRK-UHFFFAOYSA-N -1 3 281.783 3.048 20 0 CGADHM [O-]c1ccc(Cl)c(CN2CCC([C@H]3CCCO3)CC2)c1 ZINC000625359517 350163026 /nfs/dbraw/zinc/16/30/26/350163026.db2.gz IFUAJNXGOAKNQT-MRXNPFEDSA-N -1 3 295.810 3.437 20 0 CGADHM C[C@@H]1CN(Cc2cc([O-])ccc2Cl)C[C@@H](C2CC2)O1 ZINC000625380982 350165846 /nfs/dbraw/zinc/16/58/46/350165846.db2.gz RTLNUBJNPPCPIO-BMIGLBTASA-N -1 3 281.783 3.045 20 0 CGADHM CCC[C@@H]1SCCN1C(=O)c1c(C)cccc1[O-] ZINC000625655855 350193260 /nfs/dbraw/zinc/19/32/60/350193260.db2.gz JCZMKHACARMFIL-LBPRGKRZSA-N -1 3 265.378 3.016 20 0 CGADHM Cc1ccc(NC(=O)c2c(C)cccc2[O-])c(CN(C)C)c1 ZINC000625609163 350186216 /nfs/dbraw/zinc/18/62/16/350186216.db2.gz NYKLOLFYUMIVAO-UHFFFAOYSA-N -1 3 298.386 3.323 20 0 CGADHM CC[C@@H](NC(=O)c1c(C)cccc1[O-])c1nccs1 ZINC000625736347 350206484 /nfs/dbraw/zinc/20/64/84/350206484.db2.gz AFIFAFURXSKYQO-SNVBAGLBSA-N -1 3 276.361 3.038 20 0 CGADHM Cc1cccc([O-])c1C(=O)NCC(C)(C)[C@@H]1CCCCO1 ZINC000626085017 350257425 /nfs/dbraw/zinc/25/74/25/350257425.db2.gz XQWIORUVLOEKQK-AWEZNQCLSA-N -1 3 291.391 3.026 20 0 CGADHM COc1cccc(C2(NC(=O)c3c(C)cccc3[O-])CC2)c1 ZINC000626086871 350258013 /nfs/dbraw/zinc/25/80/13/350258013.db2.gz SYSFFHLFDJOFID-UHFFFAOYSA-N -1 3 297.354 3.128 20 0 CGADHM Cc1cccc([C@H]2CCCN2C(=O)c2c(C)cccc2[O-])n1 ZINC000626158041 350271070 /nfs/dbraw/zinc/27/10/70/350271070.db2.gz HZUCWIRGTIJFAG-OAHLLOKOSA-N -1 3 296.370 3.381 20 0 CGADHM C[C@@H](CC(=O)Nc1ccc([O-])cc1F)C(F)(F)F ZINC000626394247 350301822 /nfs/dbraw/zinc/30/18/22/350301822.db2.gz BDLOWZZWIQNLHX-LURJTMIESA-N -1 3 265.206 3.058 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CC[C@H](C(C)(C)C)C1 ZINC000626438387 350306730 /nfs/dbraw/zinc/30/67/30/350306730.db2.gz SXNYWPOZHKUKEV-LBPRGKRZSA-N -1 3 261.365 3.209 20 0 CGADHM CC1(C)CC[C@@H](NC(=O)Cc2ccc([O-])cc2Cl)C1 ZINC000352143512 219337172 /nfs/dbraw/zinc/33/71/72/219337172.db2.gz QYDVYZYLDGTODX-LLVKDONJSA-N -1 3 281.783 3.283 20 0 CGADHM Cc1cccc([O-])c1C(=O)N(CC1CC1)C1CCC1 ZINC000626799561 350342442 /nfs/dbraw/zinc/34/24/42/350342442.db2.gz BTYICQLORXWHAX-UHFFFAOYSA-N -1 3 259.349 3.105 20 0 CGADHM COc1cccc(CCNCc2c(F)ccc([O-])c2F)c1 ZINC000352137750 219334741 /nfs/dbraw/zinc/33/47/41/219334741.db2.gz QDNLEHWDRQOUSB-UHFFFAOYSA-N -1 3 293.313 3.011 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CCSC[C@H]1C1CCC1 ZINC000627778193 350382073 /nfs/dbraw/zinc/38/20/73/350382073.db2.gz ILIYLTHOGZRKEP-ZDUSSCGKSA-N -1 3 291.416 3.058 20 0 CGADHM COCc1cc(C(=O)[N-]c2csc3ccccc23)no1 ZINC000352205676 219359994 /nfs/dbraw/zinc/35/99/94/219359994.db2.gz HNHPNEMPRTVOGO-UHFFFAOYSA-N -1 3 288.328 3.288 20 0 CGADHM C[C@@H]1CN(CCc2ccccc2C(=O)[O-])C[C@@H](C)C1(F)F ZINC000629364257 350678408 /nfs/dbraw/zinc/67/84/08/350678408.db2.gz KYGUTHYGSKWXBV-VXGBXAGGSA-N -1 3 297.345 3.150 20 0 CGADHM O=C([O-])c1ccccc1CCN1CCCC(F)(F)CC1 ZINC000629368008 350679668 /nfs/dbraw/zinc/67/96/68/350679668.db2.gz GUKRLXACOLSJJS-UHFFFAOYSA-N -1 3 283.318 3.049 20 0 CGADHM Cc1cc([C@@H](C)N2CCCC(F)(F)CC2)oc1C(=O)[O-] ZINC000629368045 350679918 /nfs/dbraw/zinc/67/99/18/350679918.db2.gz IATRFLFYEJXSRH-SNVBAGLBSA-N -1 3 287.306 3.468 20 0 CGADHM O=C([O-])c1cccc(CN2CCCC(F)(F)CC2)c1 ZINC000629368278 350680884 /nfs/dbraw/zinc/68/08/84/350680884.db2.gz LMNSDTKNBLITBO-UHFFFAOYSA-N -1 3 269.291 3.006 20 0 CGADHM O=C([O-])[C@@H]1CCN(Cc2ccc(F)cc2F)[C@H]2CCC[C@@H]21 ZINC000629374221 350682225 /nfs/dbraw/zinc/68/22/25/350682225.db2.gz QATPASVGBXMQMS-NFAWXSAZSA-N -1 3 295.329 3.040 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)[C@H]2C[C@H]3C[C@H]3C2)c1-c1ccc(C)cc1 ZINC000630021287 350797725 /nfs/dbraw/zinc/79/77/25/350797725.db2.gz DLVTZSGUBJWRSP-FICVDOATSA-N -1 3 295.386 3.100 20 0 CGADHM Cc1sc2[n-]c([C@H]3CC[C@@H](C)O3)nc(=O)c2c1C ZINC000630385781 350831064 /nfs/dbraw/zinc/83/10/64/350831064.db2.gz SJHOHPDWYADEGT-HZGVNTEJSA-N -1 3 264.350 3.254 20 0 CGADHM CC(C)c1cnc(S(=O)(=O)[C@H](C)c2ccccc2F)[n-]1 ZINC000630432280 350839326 /nfs/dbraw/zinc/83/93/26/350839326.db2.gz LCLHZIXKSMYYMG-SNVBAGLBSA-N -1 3 296.367 3.207 20 0 CGADHM CC(C)c1c[n-]c(S(=O)(=O)[C@H](C)c2ccccc2F)n1 ZINC000630432280 350839328 /nfs/dbraw/zinc/83/93/28/350839328.db2.gz LCLHZIXKSMYYMG-SNVBAGLBSA-N -1 3 296.367 3.207 20 0 CGADHM CCc1onc(C)c1[N-]C(=O)c1coc(SC)c1 ZINC000632165474 351175421 /nfs/dbraw/zinc/17/54/21/351175421.db2.gz HHLSBENHSGUYHX-UHFFFAOYSA-N -1 3 266.322 3.113 20 0 CGADHM C[C@@H]1C[C@H](C(=O)N2CC[C@H](C)c3cccc([O-])c32)[C@H](C)O1 ZINC000632506684 351202338 /nfs/dbraw/zinc/20/23/38/351202338.db2.gz GYXRQWAJTOEMBO-OPDFLTKYSA-N -1 3 289.375 3.046 20 0 CGADHM CCc1cc(C(=O)N(C)C(C2CC2)C2CC2)ccc1[O-] ZINC000291425508 198017802 /nfs/dbraw/zinc/01/78/02/198017802.db2.gz DQOXQCRWSMGDRY-UHFFFAOYSA-N -1 3 273.376 3.215 20 0 CGADHM C[C@@H]1CCc2[n-]n(Cc3cccc(C(F)(F)F)c3)c(=O)c21 ZINC000634591079 351527926 /nfs/dbraw/zinc/52/79/26/351527926.db2.gz SIUDZWAFXFNPFQ-NOZJJQNGSA-N -1 3 296.292 3.450 20 0 CGADHM Cc1cccc(-n2[n-]c(-c3ccccc3)c(C(C)C)c2=O)n1 ZINC000634613306 351542050 /nfs/dbraw/zinc/54/20/50/351542050.db2.gz UYIUHGYKBCWPMN-INIZCTEOSA-N -1 3 293.370 3.413 20 0 CGADHM CCc1c(=O)n(C[C@H]2CCSC2)[n-]c1-c1ccccc1 ZINC000634628647 351551581 /nfs/dbraw/zinc/55/15/81/351551581.db2.gz CDYUMXZTCASBTH-TZMCWYRMSA-N -1 3 288.416 3.012 20 0 CGADHM O=C([O-])c1ccc(CN2CCC3(CCSCC3)CC2)o1 ZINC000634696382 351576032 /nfs/dbraw/zinc/57/60/32/351576032.db2.gz VQBRHURWGRYDEO-UHFFFAOYSA-N -1 3 295.404 3.087 20 0 CGADHM CCCC[C@H](C)N(CCCC)Cc1cc(C(=O)[O-])nn1C ZINC000635312322 351649882 /nfs/dbraw/zinc/64/98/82/351649882.db2.gz JUMHHVNYTJAWJC-ZDUSSCGKSA-N -1 3 295.427 3.299 20 0 CGADHM O=C([O-])[C@H]1CCCN(Cc2cnc(C3CCCC3)s2)C1 ZINC000635322367 351650633 /nfs/dbraw/zinc/65/06/33/351650633.db2.gz MQDSIYONZOWSJC-LBPRGKRZSA-N -1 3 294.420 3.097 20 0 CGADHM CCc1cc(C(=O)N[C@H](COC)c2ccccc2)ccc1[O-] ZINC000291596682 198045847 /nfs/dbraw/zinc/04/58/47/198045847.db2.gz WVZGGJYYZCYRSV-MRXNPFEDSA-N -1 3 299.370 3.072 20 0 CGADHM CC(=O)Nc1ccc(C)c(NC(=O)c2cccc(C)c2[O-])c1 ZINC000121880420 187002440 /nfs/dbraw/zinc/00/24/40/187002440.db2.gz GASNGAUBNGKBQL-UHFFFAOYSA-N -1 3 298.342 3.220 20 0 CGADHM CS[C@H]1CCCCN(C(=O)c2cc(C)ccc2[O-])C1 ZINC000154258281 188131715 /nfs/dbraw/zinc/13/17/15/188131715.db2.gz CNUFCCYICZSSHR-LBPRGKRZSA-N -1 3 279.405 3.058 20 0 CGADHM O=C([N-]OCCC(F)(F)F)Nc1ccc2c(c1)CCC2 ZINC000156163360 188246235 /nfs/dbraw/zinc/24/62/35/188246235.db2.gz SNPYQOBHPJTELW-UHFFFAOYSA-N -1 3 288.269 3.181 20 0 CGADHM O=C([N-]OCC1CC1)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000292574387 198338025 /nfs/dbraw/zinc/33/80/25/198338025.db2.gz JFHAGUJKJOCMJF-UHFFFAOYSA-N -1 3 292.232 3.308 20 0 CGADHM CC[C@H](C)Oc1ccc(NC(=O)[N-]OCC2CC2)cc1 ZINC000292582283 198340611 /nfs/dbraw/zinc/34/06/11/198340611.db2.gz JVNFRJAVFLJQLI-NSHDSACASA-N -1 3 278.352 3.327 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)Sc2ccncc2C)n1 ZINC000292715880 198387277 /nfs/dbraw/zinc/38/72/77/198387277.db2.gz HQOBEQMXVSNBFT-SNVBAGLBSA-N -1 3 261.350 3.047 20 0 CGADHM CC(C)CC1(C(=O)NCc2ncccc2[O-])CCCC1 ZINC000352514604 219488081 /nfs/dbraw/zinc/48/80/81/219488081.db2.gz BPJCNLNUIFWFPR-UHFFFAOYSA-N -1 3 276.380 3.010 20 0 CGADHM Cc1cc(C(=O)CCC(=O)[N-]OC2CCCC2)c(C)s1 ZINC000271774692 191318335 /nfs/dbraw/zinc/31/83/35/191318335.db2.gz ODFKBOWWTNMKGN-UHFFFAOYSA-N -1 3 295.404 3.318 20 0 CGADHM [O-]C(=NOC1CCCC1)Nc1cccc(N2CCCC2)c1 ZINC000271840589 191361592 /nfs/dbraw/zinc/36/15/92/191361592.db2.gz UKZPFLKDNHNSLX-UHFFFAOYSA-N -1 3 289.379 3.283 20 0 CGADHM O=C([N-]OC1CCCC1)Nc1cccc(N2CCCC2)c1 ZINC000271840589 191361594 /nfs/dbraw/zinc/36/15/94/191361594.db2.gz UKZPFLKDNHNSLX-UHFFFAOYSA-N -1 3 289.379 3.283 20 0 CGADHM CCC(CC)c1noc(-c2cc(OC)ccc2[O-])n1 ZINC000273729123 192282405 /nfs/dbraw/zinc/28/24/05/192282405.db2.gz AOXGTBNUVKWVFD-UHFFFAOYSA-N -1 3 262.309 3.354 20 0 CGADHM Cc1ccc(Cc2nnc([N-]C(=O)c3ccco3)s2)cc1 ZINC000108249195 138359419 /nfs/dbraw/zinc/35/94/19/138359419.db2.gz XVPHEYGQCWCUHB-UHFFFAOYSA-N -1 3 299.355 3.283 20 0 CGADHM Cc1ccc(C(=O)[N-]c2nc(-c3ccsc3)ns2)o1 ZINC000109110923 138361510 /nfs/dbraw/zinc/36/15/10/138361510.db2.gz JOWYGIBAZQIDII-UHFFFAOYSA-N -1 3 291.357 3.420 20 0 CGADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1ccncc1 ZINC000125308314 138381270 /nfs/dbraw/zinc/38/12/70/138381270.db2.gz CLUPPIVWGWIUJD-UHFFFAOYSA-N -1 3 282.221 3.058 20 0 CGADHM [O-]c1ccc(F)c(CNCCCOC2CCCC2)c1F ZINC000294356244 199010354 /nfs/dbraw/zinc/01/03/54/199010354.db2.gz SVOHIMBGJKEHGC-UHFFFAOYSA-N -1 3 285.334 3.109 20 0 CGADHM COc1ccccc1CCNCc1c(F)ccc([O-])c1F ZINC000294333291 199002498 /nfs/dbraw/zinc/00/24/98/199002498.db2.gz RSDBIWPMMTVWJT-UHFFFAOYSA-N -1 3 293.313 3.011 20 0 CGADHM CO[C@@]1(C)CCCN(Cc2cccc([O-])c2Cl)C1 ZINC000294605495 199105177 /nfs/dbraw/zinc/10/51/77/199105177.db2.gz IGBFSHPAEPYWIE-AWEZNQCLSA-N -1 3 269.772 3.047 20 0 CGADHM O=C([O-])[C@H](NCc1ccc(F)cc1)c1cccc(Cl)c1 ZINC000426724683 236308323 /nfs/dbraw/zinc/30/83/23/236308323.db2.gz VCMLWJBRMCOQDU-CQSZACIVSA-N -1 3 293.725 3.395 20 0 CGADHM Cc1cc(C)cc([C@H](NCc2ccc(F)cc2)C(=O)[O-])c1 ZINC000426742271 236310011 /nfs/dbraw/zinc/31/00/11/236310011.db2.gz JEVWWKDMCCOVAZ-INIZCTEOSA-N -1 3 287.334 3.358 20 0 CGADHM CCc1ccc(C(=O)N2CCC[C@@H](CSC)C2)c([O-])c1 ZINC000294686019 199133912 /nfs/dbraw/zinc/13/39/12/199133912.db2.gz PUPDHWOACZPJLE-CYBMUJFWSA-N -1 3 293.432 3.170 20 0 CGADHM O=C(Nc1cccc([O-])c1F)[C@H]1CCCCC1(F)F ZINC000336186469 213004223 /nfs/dbraw/zinc/00/42/23/213004223.db2.gz VSFBTZHCWFPVEE-MRVPVSSYSA-N -1 3 273.254 3.295 20 0 CGADHM [O-]c1ccc(F)c(CN2CCc3sccc3C2)c1F ZINC000294872458 199224995 /nfs/dbraw/zinc/22/49/95/199224995.db2.gz KFNILDVYLROZMM-UHFFFAOYSA-N -1 3 281.327 3.290 20 0 CGADHM CCCc1csc(NC([O-])=NOC[C@H](C)CC)n1 ZINC000296801832 200002003 /nfs/dbraw/zinc/00/20/03/200002003.db2.gz IFZAMTCYCAXADK-SECBINFHSA-N -1 3 271.386 3.195 20 0 CGADHM CCCc1csc(NC(=O)[N-]OC[C@H](C)CC)n1 ZINC000296801832 200002004 /nfs/dbraw/zinc/00/20/04/200002004.db2.gz IFZAMTCYCAXADK-SECBINFHSA-N -1 3 271.386 3.195 20 0 CGADHM CO[C@@H](C)CN(C(=O)c1ccc(C(C)C)cc1[O-])C(C)C ZINC000436560676 237128688 /nfs/dbraw/zinc/12/86/88/237128688.db2.gz GJJHXZUTVSKXMR-ZDUSSCGKSA-N -1 3 293.407 3.401 20 0 CGADHM Cc1ccc(C(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)c([O-])c1 ZINC000436562970 237131170 /nfs/dbraw/zinc/13/11/70/237131170.db2.gz CFADDQJXHMDPHU-MELADBBJSA-N -1 3 273.376 3.399 20 0 CGADHM C[C@H]1[C@H](Cc2ccccc2)CCN1C(=O)c1ccccc1[O-] ZINC000436576247 237131421 /nfs/dbraw/zinc/13/14/21/237131421.db2.gz OVKNNLPXFMQXEY-HOCLYGCPSA-N -1 3 295.382 3.486 20 0 CGADHM Cc1cccc(O[C@H](C)CNC(=O)c2cccc(C)c2[O-])c1 ZINC000436565339 237133540 /nfs/dbraw/zinc/13/35/40/237133540.db2.gz IXYBVIMOTDFGSQ-CQSZACIVSA-N -1 3 299.370 3.206 20 0 CGADHM O=C(NC1CC1)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436589882 237136170 /nfs/dbraw/zinc/13/61/70/237136170.db2.gz RERDESUJQFUYAY-UHFFFAOYSA-N -1 3 281.355 3.070 20 0 CGADHM C[C@H]1CN(C(=O)c2cc3c(cc2[O-])CCCC3)CC[C@@H]1C ZINC000436960331 237221856 /nfs/dbraw/zinc/22/18/56/237221856.db2.gz GZJFTENHITUAOP-STQMWFEESA-N -1 3 287.403 3.389 20 0 CGADHM CSc1ccc(C)c(NC(=O)[N-]OCC2CC2)c1 ZINC000296946425 200042472 /nfs/dbraw/zinc/04/24/72/200042472.db2.gz PXSLRIQOZVCAKT-UHFFFAOYSA-N -1 3 266.366 3.180 20 0 CGADHM Cc1cc(C(=O)NC[C@@H](C)c2ccc(F)cc2)ccc1[O-] ZINC000436930580 237212344 /nfs/dbraw/zinc/21/23/44/237212344.db2.gz YHEBXLFKBLFQFY-GFCCVEGCSA-N -1 3 287.334 3.373 20 0 CGADHM Cc1cccc(NC(=O)c2c[n-]nc2-c2ccncc2)c1 ZINC000341597183 216028703 /nfs/dbraw/zinc/02/87/03/216028703.db2.gz ACDFAGKDRGXQLO-UHFFFAOYSA-N -1 3 278.315 3.032 20 0 CGADHM Cc1cccc(NC(=O)c2cn[n-]c2-c2ccncc2)c1 ZINC000341597183 216028706 /nfs/dbraw/zinc/02/87/06/216028706.db2.gz ACDFAGKDRGXQLO-UHFFFAOYSA-N -1 3 278.315 3.032 20 0 CGADHM O=C([N-]OCC1CC1)Nc1cccc(C2CCC2)c1 ZINC000297318827 200147011 /nfs/dbraw/zinc/14/70/11/200147011.db2.gz HCKHNEFAEPLHHK-UHFFFAOYSA-N -1 3 260.337 3.417 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)Nc1ccc([C@@H]2CCOC2)cc1 ZINC000297582961 200233986 /nfs/dbraw/zinc/23/39/86/200233986.db2.gz YTTVYSBLTYVZTM-GXTWGEPZSA-N -1 3 292.379 3.290 20 0 CGADHM CCS[C@H]1CCCCN([C@@H](C)c2nc(C)cc(=O)[n-]2)C1 ZINC000177922345 189079785 /nfs/dbraw/zinc/07/97/85/189079785.db2.gz XSLZTUDIDLJHST-STQMWFEESA-N -1 3 295.452 3.159 20 0 CGADHM CCCc1ncc(C(=O)Nc2c(C)cccc2[O-])s1 ZINC000179563230 189202200 /nfs/dbraw/zinc/20/22/00/189202200.db2.gz VNTUUMOSJLFZEI-UHFFFAOYSA-N -1 3 276.361 3.362 20 0 CGADHM Cc1ccc(O[C@H](C)CNC(=O)c2ccc(C)cc2[O-])cc1 ZINC000440272417 238300086 /nfs/dbraw/zinc/30/00/86/238300086.db2.gz VYXSLJQLJJTUKL-CQSZACIVSA-N -1 3 299.370 3.206 20 0 CGADHM CCC(CC)[C@H]1C[C@@H](NC(=O)c2cccc([O-])c2)CCO1 ZINC000183003668 189342573 /nfs/dbraw/zinc/34/25/73/189342573.db2.gz UYIBRKJKYNWLEA-GOEBONIOSA-N -1 3 291.391 3.106 20 0 CGADHM CCO[N-]C(=O)Nc1ccccc1SC(F)F ZINC000182897147 189338851 /nfs/dbraw/zinc/33/88/51/189338851.db2.gz NBKBSWOWJOQMIE-UHFFFAOYSA-N -1 3 262.281 3.074 20 0 CGADHM CCC[C@H]1C[C@H](C(=O)Nc2ccc(C)cc2[O-])CCO1 ZINC000183400166 189358284 /nfs/dbraw/zinc/35/82/84/189358284.db2.gz KHUAEEVEVNYFPV-OLZOCXBDSA-N -1 3 277.364 3.234 20 0 CGADHM CC[C@@H](C)[C@H](CN=c1[n-]cc(C(F)(F)F)s1)OC ZINC000450615339 240000175 /nfs/dbraw/zinc/00/01/75/240000175.db2.gz BVHATHMYVQFRBN-SFYZADRCSA-N -1 3 282.331 3.057 20 0 CGADHM Cc1csc(CO[N-]C(=O)CCCc2ccccc2)n1 ZINC000120923191 370813326 /nfs/dbraw/zinc/81/33/26/370813326.db2.gz YKPHMBNPCSKTAL-UHFFFAOYSA-N -1 3 290.388 3.022 20 0 CGADHM Cc1ncc([N-]C(=O)c2cc(-c3ccccc3)no2)s1 ZINC000337286246 376191616 /nfs/dbraw/zinc/19/16/16/376191616.db2.gz GLUINJZYLVPVHJ-UHFFFAOYSA-N -1 3 285.328 3.359 20 0 CGADHM CC1=CCN(Cc2cccc([O-])c2Br)CC1 ZINC000459334737 242076252 /nfs/dbraw/zinc/07/62/52/242076252.db2.gz AJRIOYANVMZHTN-UHFFFAOYSA-N -1 3 282.181 3.307 20 0 CGADHM Cc1ccc([C@@H](C)NCc2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC000459456586 242116289 /nfs/dbraw/zinc/11/62/89/242116289.db2.gz CBOPVVCGGBCAHE-GFCCVEGCSA-N -1 3 283.375 3.219 20 0 CGADHM CC(C)(C)c1ccc([O-])c(NC(=O)c2occc2N)c1 ZINC000335532891 212228884 /nfs/dbraw/zinc/22/88/84/212228884.db2.gz JEOOPNISNMLKAJ-UHFFFAOYSA-N -1 3 274.320 3.117 20 0 CGADHM C[C@@H]1[C@H](C(=O)Nc2cc(C(F)(F)F)ccc2[O-])C1(F)F ZINC000461456424 242306524 /nfs/dbraw/zinc/30/65/24/242306524.db2.gz MYGPIRXVVZMBLY-MLUIRONXSA-N -1 3 295.207 3.251 20 0 CGADHM CCCC[C@H](CCC)NC(=O)c1ccc2n[n-]nc2c1 ZINC000482598871 243233883 /nfs/dbraw/zinc/23/38/83/243233883.db2.gz RFMZXLYQRGBVBJ-LBPRGKRZSA-N -1 3 274.368 3.047 20 0 CGADHM CC(C)[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000485436376 243334343 /nfs/dbraw/zinc/33/43/43/243334343.db2.gz JYCPPOWGRNACIH-MRVPVSSYSA-N -1 3 296.219 3.316 20 0 CGADHM Cc1cccc(C=Cc2cc(=O)[n-]c(-c3ccncc3)n2)c1 ZINC000486101973 243353227 /nfs/dbraw/zinc/35/32/27/243353227.db2.gz LDWHFPNYJUMWCE-AATRIKPKSA-N -1 3 289.338 3.311 20 0 CGADHM COc1cccc(C(=O)Nc2cccc(SC)c2)c1[O-] ZINC000019837946 368769589 /nfs/dbraw/zinc/76/95/89/368769589.db2.gz PBPOEJXSWFAVET-UHFFFAOYSA-N -1 3 289.356 3.375 20 0 CGADHM CN(Cc1ccc(Cl)cc1)C(=O)c1ccccc1[O-] ZINC000030691776 368904916 /nfs/dbraw/zinc/90/49/16/368904916.db2.gz CEZMTGXUBKXFGS-UHFFFAOYSA-N -1 3 275.735 3.318 20 0 CGADHM C[C@@H](c1ccccc1Cl)N1CCC(C(=O)[O-])CC1 ZINC000033617017 368966252 /nfs/dbraw/zinc/96/62/52/368966252.db2.gz HGQUVCGHGMHFEF-JTQLQIEISA-N -1 3 267.756 3.198 20 0 CGADHM Cc1cccc(C(=O)N(C)Cc2cccs2)c1[O-] ZINC000035122212 368999279 /nfs/dbraw/zinc/99/92/79/368999279.db2.gz RSCHBOZWALZKQQ-UHFFFAOYSA-N -1 3 261.346 3.034 20 0 CGADHM CC[C@H]1CCCCN1Cc1cc(C)c(C(=O)[O-])o1 ZINC000036812834 369030483 /nfs/dbraw/zinc/03/04/83/369030483.db2.gz HVHULWYUEPANOB-NSHDSACASA-N -1 3 251.326 3.051 20 0 CGADHM CCC[C@@H](NCc1nc(-c2cccs2)oc1C)C(=O)[O-] ZINC000036838731 369030994 /nfs/dbraw/zinc/03/09/94/369030994.db2.gz HJTFKIOBVOVJNC-SNVBAGLBSA-N -1 3 294.376 3.054 20 0 CGADHM CC[C@@H](C)N(CC(=O)[O-])Cc1ccc(F)cc1Cl ZINC000037598714 369091494 /nfs/dbraw/zinc/09/14/94/369091494.db2.gz LMSPQPDFSUVHKG-SECBINFHSA-N -1 3 273.735 3.164 20 0 CGADHM O=C(/C=C/SCc1ccco1)[N-]OC1CCCCC1 ZINC000492717102 244011125 /nfs/dbraw/zinc/01/11/25/244011125.db2.gz GWUIFNWTAJBEGZ-CSKARUKUSA-N -1 3 281.377 3.407 20 0 CGADHM COc1cccc(C(=O)N[C@@H](C)c2ccc(C)cc2)c1[O-] ZINC000042354875 369215846 /nfs/dbraw/zinc/21/58/46/369215846.db2.gz XTPMANDIQDOXQY-LBPRGKRZSA-N -1 3 285.343 3.200 20 0 CGADHM CCC1CCC(N(C)C(=O)c2cccc(OC)c2[O-])CC1 ZINC000042355273 369216241 /nfs/dbraw/zinc/21/62/41/369216241.db2.gz OOEDQCCWRBQLNK-UHFFFAOYSA-N -1 3 291.391 3.442 20 0 CGADHM CCCc1csc(CNCc2ccc([O-])c(F)c2)n1 ZINC000494100631 244263292 /nfs/dbraw/zinc/26/32/92/244263292.db2.gz YFSLZAPAFGRUSS-UHFFFAOYSA-N -1 3 280.368 3.230 20 0 CGADHM CO[C@@H]1CN(C(=O)c2ccc(C(C)C)cc2[O-])CC[C@H]1C ZINC000276117730 193218169 /nfs/dbraw/zinc/21/81/69/193218169.db2.gz YBRYMKNUJTUGAX-MLGOLLRUSA-N -1 3 291.391 3.013 20 0 CGADHM O=C(c1cccc([O-])c1)N1CCC2(CCCC2)CC1 ZINC000062959690 369633286 /nfs/dbraw/zinc/63/32/86/369633286.db2.gz BMYCSWNTAGCTNV-UHFFFAOYSA-N -1 3 259.349 3.189 20 0 CGADHM C[C@@H](CC(=O)Nc1nnc(-c2ccco2)[n-]1)C(C)(C)C ZINC000066620400 369698834 /nfs/dbraw/zinc/69/88/34/369698834.db2.gz YGIUYNVUPKPCLY-VIFPVBQESA-N -1 3 276.340 3.076 20 0 CGADHM C[C@@H](CC(=O)Nc1nc(-c2ccco2)n[n-]1)C(C)(C)C ZINC000066620400 369698841 /nfs/dbraw/zinc/69/88/41/369698841.db2.gz YGIUYNVUPKPCLY-VIFPVBQESA-N -1 3 276.340 3.076 20 0 CGADHM C[C@@H](CC(=O)Nc1n[n-]c(-c2ccco2)n1)C(C)(C)C ZINC000066620400 369698844 /nfs/dbraw/zinc/69/88/44/369698844.db2.gz YGIUYNVUPKPCLY-VIFPVBQESA-N -1 3 276.340 3.076 20 0 CGADHM C[C@H]1CCC[C@H](CCNC(=O)c2cccc([O-])c2)C1 ZINC000070540684 369803643 /nfs/dbraw/zinc/80/36/43/369803643.db2.gz PNNVNUFIIZKRGW-QWHCGFSZSA-N -1 3 261.365 3.338 20 0 CGADHM C[C@@]1(C(=O)[O-])CCN(Cc2cc(Cl)cc(Cl)c2)C1 ZINC000086778979 370021633 /nfs/dbraw/zinc/02/16/33/370021633.db2.gz HBNCLHUIENQCCA-CYBMUJFWSA-N -1 3 288.174 3.290 20 0 CGADHM O=C([C@H]1[C@@H]2CCCC[C@@H]21)N1CCCc2cccc([O-])c21 ZINC000245903552 296157229 /nfs/dbraw/zinc/15/72/29/296157229.db2.gz AFKQKJFHDSJBDQ-NHAGDIPZSA-N -1 3 271.360 3.108 20 0 CGADHM COc1ccccc1C(C)(C)NCc1nc(C)ccc1[O-] ZINC000103345240 370324410 /nfs/dbraw/zinc/32/44/10/370324410.db2.gz ONTNXPJJBYXQGB-UHFFFAOYSA-N -1 3 286.375 3.129 20 0 CGADHM Cc1ccc(NC(=O)CO[C@H]2CCCC[C@@H]2C)c([O-])c1 ZINC000113413905 370473101 /nfs/dbraw/zinc/47/31/01/370473101.db2.gz MZCARBQJSCGQQQ-WFASDCNBSA-N -1 3 277.364 3.234 20 0 CGADHM O=C(N[C@@H](c1ccccc1)C(F)(F)F)c1ccccc1[O-] ZINC000538744375 288587359 /nfs/dbraw/zinc/58/73/59/288587359.db2.gz IIRWPZQEZNJOBH-ZDUSSCGKSA-N -1 3 295.260 3.426 20 0 CGADHM CCN(CCCC(=O)[O-])Cc1ccccc1Cl ZINC000116350534 370556524 /nfs/dbraw/zinc/55/65/24/370556524.db2.gz ZIPCLJJZFVAGPV-UHFFFAOYSA-N -1 3 255.745 3.027 20 0 CGADHM Cc1cccc(-c2nc([C@H]3CCO[C@@H](C)C3)no2)c1[O-] ZINC000331699410 204087202 /nfs/dbraw/zinc/08/72/02/204087202.db2.gz VTRGWCJITQUTSK-QWRGUYRKSA-N -1 3 274.320 3.033 20 0 CGADHM CC[C@@H]1CCCCN1Cc1cc(C(=O)[O-])oc1C ZINC000011993422 541850671 /nfs/dbraw/zinc/85/06/71/541850671.db2.gz LDOGYDSHPJQJPW-GFCCVEGCSA-N -1 3 251.326 3.051 20 0 CGADHM C[C@H](C(=O)NCc1ccc([O-])c(F)c1)c1ccsc1 ZINC000132800534 371203610 /nfs/dbraw/zinc/20/36/10/371203610.db2.gz FXNQPOBPSDNIOS-VIFPVBQESA-N -1 3 279.336 3.013 20 0 CGADHM C[C@@H](Cc1ccccc1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000133014999 371219330 /nfs/dbraw/zinc/21/93/30/371219330.db2.gz WUXGUBPTRWFPSD-LBPRGKRZSA-N -1 3 287.334 3.026 20 0 CGADHM O=C([N-]c1c(F)cc(F)cc1F)c1cn2ccnc2s1 ZINC000344082934 284269748 /nfs/dbraw/zinc/26/97/48/284269748.db2.gz ITEURHPYVORTDQ-UHFFFAOYSA-N -1 3 297.261 3.065 20 0 CGADHM Cc1cc(C(=O)[N-]c2nnc(C(F)(F)F)s2)oc1C ZINC000134890515 371372722 /nfs/dbraw/zinc/37/27/22/371372722.db2.gz XMNOWDHCXKSICZ-UHFFFAOYSA-N -1 3 291.254 3.019 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CC[C@H](C3CCCC3)C2)c1 ZINC000421654824 371594561 /nfs/dbraw/zinc/59/45/61/371594561.db2.gz LXCCABMFMCZWCL-AWEZNQCLSA-N -1 3 273.376 3.353 20 0 CGADHM CC[C@H](c1ccc(F)cc1F)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000422586977 371752248 /nfs/dbraw/zinc/75/22/48/371752248.db2.gz HBLOIOQNCNFNEL-UEKVPHQBSA-N -1 3 297.345 3.459 20 0 CGADHM C[C@@H]1CC[C@H](C(=O)[O-])CN1CCc1ccc(F)cc1Cl ZINC000422638451 371755344 /nfs/dbraw/zinc/75/53/44/371755344.db2.gz UECKBENQXHUJJB-PWSUYJOCSA-N -1 3 299.773 3.207 20 0 CGADHM CC[C@](C)(NC(=O)c1cc(C)ccc1[O-])c1nccs1 ZINC000153942626 371802676 /nfs/dbraw/zinc/80/26/76/371802676.db2.gz JCKBLZPXVMLKSE-HNNXBMFYSA-N -1 3 290.388 3.212 20 0 CGADHM CCOc1ccc([C@@H](C)NC(=O)c2ccccc2[O-])cc1 ZINC000029773939 541858679 /nfs/dbraw/zinc/85/86/79/541858679.db2.gz YERZTYYVPPKHJG-GFCCVEGCSA-N -1 3 285.343 3.282 20 0 CGADHM [O-]c1cc(F)cc(CN2CCC[C@@H]2c2ccncc2)c1 ZINC000289888208 371846284 /nfs/dbraw/zinc/84/62/84/371846284.db2.gz SPZTYNDORUMMMR-MRXNPFEDSA-N -1 3 272.323 3.263 20 0 CGADHM CCCOc1ccc(NC([O-])=NOC/C=C/Cl)cc1 ZINC000290037566 371886611 /nfs/dbraw/zinc/88/66/11/371886611.db2.gz GLAWJGONKWYLCH-FPYGCLRLSA-N -1 3 284.743 3.281 20 0 CGADHM CCCOc1ccc(NC(=O)[N-]OC/C=C/Cl)cc1 ZINC000290037566 371886622 /nfs/dbraw/zinc/88/66/22/371886622.db2.gz GLAWJGONKWYLCH-FPYGCLRLSA-N -1 3 284.743 3.281 20 0 CGADHM COc1cccc(CN[C@H](CC(=O)[O-])c2cccs2)c1 ZINC000037087858 541861724 /nfs/dbraw/zinc/86/17/24/541861724.db2.gz HHKGPYIIHGGEJI-CYBMUJFWSA-N -1 3 291.372 3.062 20 0 CGADHM Cc1cscc1[N-]S(=O)(=O)CCC(C)(C)C ZINC000290465820 371995495 /nfs/dbraw/zinc/99/54/95/371995495.db2.gz FXZMEBFZWKQFJE-UHFFFAOYSA-N -1 3 261.412 3.234 20 0 CGADHM CC[C@H](SCCCOC([O-])=NC(N)=O)c1ccccc1 ZINC000157942724 372043453 /nfs/dbraw/zinc/04/34/53/372043453.db2.gz MFYRUXQWBAUCOT-LBPRGKRZSA-N -1 3 296.392 3.066 20 0 CGADHM CC[C@H](SCCCOC(=O)N=C(N)[O-])c1ccccc1 ZINC000157942724 372043459 /nfs/dbraw/zinc/04/34/59/372043459.db2.gz MFYRUXQWBAUCOT-LBPRGKRZSA-N -1 3 296.392 3.066 20 0 CGADHM CC[C@H](SCCCOC(=O)[N-]C(N)=O)c1ccccc1 ZINC000157942724 372043463 /nfs/dbraw/zinc/04/34/63/372043463.db2.gz MFYRUXQWBAUCOT-LBPRGKRZSA-N -1 3 296.392 3.066 20 0 CGADHM O=C(c1cc([O-])ccc1Cl)N1CCc2ccsc2C1 ZINC000344191552 217093392 /nfs/dbraw/zinc/09/33/92/217093392.db2.gz ARUPTVHBNRUYSV-UHFFFAOYSA-N -1 3 293.775 3.306 20 0 CGADHM CCN1C(=O)c2ccccc2N[C@@H]1c1ccc([O-])c(F)c1 ZINC000159034996 372100171 /nfs/dbraw/zinc/10/01/71/372100171.db2.gz UOYSPTXNVSMZHB-HNNXBMFYSA-N -1 3 286.306 3.118 20 0 CGADHM CSc1ccccc1[N-]C(=O)c1ncn(C(C)(C)C)n1 ZINC000291184734 372133558 /nfs/dbraw/zinc/13/35/58/372133558.db2.gz ONMVQBNZMJMSHZ-UHFFFAOYSA-N -1 3 290.392 3.007 20 0 CGADHM O=c1[n-]c(-c2cncs2)nc2cc(Cl)ccc12 ZINC000426122810 372150309 /nfs/dbraw/zinc/15/03/09/372150309.db2.gz JZFOHWDOHQDDDI-UHFFFAOYSA-N -1 3 263.709 3.112 20 0 CGADHM Cc1ccc([O-])c(CNc2cccc(-c3ncco3)c2)n1 ZINC000160354118 372241413 /nfs/dbraw/zinc/24/14/13/372241413.db2.gz IXBFNPRPHFLDRU-UHFFFAOYSA-N -1 3 281.315 3.363 20 0 CGADHM O=C([O-])CC[C@@H]1CCCN(C/C=C/c2ccccc2)C1 ZINC000043585194 541872390 /nfs/dbraw/zinc/87/23/90/541872390.db2.gz IJWHPTZCEZNAFP-YCOJEUHLSA-N -1 3 273.376 3.277 20 0 CGADHM CCC[C@@H]([N-]c1nnc(C(F)F)o1)[C@@H](O)c1ccccc1 ZINC000293293592 372348489 /nfs/dbraw/zinc/34/84/89/372348489.db2.gz YMVVHBOIDHDIKT-MNOVXSKESA-N -1 3 297.305 3.321 20 0 CGADHM CC(C)[C@@H]1C[C@@H](NCc2cccc([O-])c2Cl)CCO1 ZINC000293334205 372357620 /nfs/dbraw/zinc/35/76/20/372357620.db2.gz RVAZSHCFTHIVON-JSGCOSHPSA-N -1 3 283.799 3.339 20 0 CGADHM C[C@]1(NCc2cccc([O-])c2Cl)CCO[C@H]1C1CC1 ZINC000293384881 372372013 /nfs/dbraw/zinc/37/20/13/372372013.db2.gz WMILPGQOJJLREA-GJZGRUSLSA-N -1 3 281.783 3.093 20 0 CGADHM CS[C@@H]1CCC[C@H](NCc2c(F)ccc([O-])c2F)C1 ZINC000293515080 372400296 /nfs/dbraw/zinc/40/02/96/372400296.db2.gz CMNIDPVNTRSSGB-VHSXEESVSA-N -1 3 287.375 3.434 20 0 CGADHM CC(C)C[C@@H](C)NC(=O)Cc1ccc([O-])cc1Cl ZINC000162645460 372409429 /nfs/dbraw/zinc/40/94/29/372409429.db2.gz BQSXAGJJERBYMV-SNVBAGLBSA-N -1 3 269.772 3.139 20 0 CGADHM Cc1cc(NC(=O)[N-]OCC2CC2)ccc1OC(C)C ZINC000293369671 372367488 /nfs/dbraw/zinc/36/74/88/372367488.db2.gz OXJBLBAPQFTVNZ-UHFFFAOYSA-N -1 3 278.352 3.245 20 0 CGADHM CC(C)C[C@H]1CCCCN1C(=O)c1ccc(O)cc1[O-] ZINC000162973952 372439339 /nfs/dbraw/zinc/43/93/39/372439339.db2.gz CULHZYKMLZMGIT-GFCCVEGCSA-N -1 3 277.364 3.139 20 0 CGADHM CC(C)C[C@H]1CCCN1C(=O)NCc1ccc([O-])c(F)c1 ZINC000163665499 372485866 /nfs/dbraw/zinc/48/58/66/372485866.db2.gz XXMYRNOMCWLHEE-CYBMUJFWSA-N -1 3 294.370 3.251 20 0 CGADHM COc1cc(C(=O)N2CC3(CCC3)[C@H]2C(C)C)ccc1[O-] ZINC000293993985 372549028 /nfs/dbraw/zinc/54/90/28/372549028.db2.gz YGHJDNZCTIMXMJ-OAHLLOKOSA-N -1 3 289.375 3.052 20 0 CGADHM CC(C)O[N-]C(=O)[C@H](C)CSCc1ccccc1 ZINC000295505680 372807936 /nfs/dbraw/zinc/80/79/36/372807936.db2.gz HBHDCXVFZUQPLY-GFCCVEGCSA-N -1 3 267.394 3.012 20 0 CGADHM CC(C)O[N-]C(=O)CCCc1ncc(-c2ccccc2)o1 ZINC000295702829 372880616 /nfs/dbraw/zinc/88/06/16/372880616.db2.gz OMOYUJBZYSTJHN-UHFFFAOYSA-N -1 3 288.347 3.121 20 0 CGADHM C[C@@H]1CC(NC(=O)NCc2ccc([O-])c(F)c2)C[C@@H](C)C1 ZINC000172494521 372978029 /nfs/dbraw/zinc/97/80/29/372978029.db2.gz OLWOGSATSYVPRJ-QWRGUYRKSA-N -1 3 294.370 3.155 20 0 CGADHM O=C(CCCc1ccc([O-])c(F)c1)NCc1cccs1 ZINC000344736598 217293835 /nfs/dbraw/zinc/29/38/35/217293835.db2.gz LILDFQGARZJFNR-UHFFFAOYSA-N -1 3 293.363 3.232 20 0 CGADHM CSc1ccccc1[C@@H](C)NCc1cnc(C)[n-]c1=O ZINC000442858968 373107179 /nfs/dbraw/zinc/10/71/79/373107179.db2.gz UJGSRLWNENXWKP-SNVBAGLBSA-N -1 3 289.404 3.063 20 0 CGADHM COc1cc(C(=O)NCc2c(C)cc(C)cc2C)ccc1[O-] ZINC000442864536 373109915 /nfs/dbraw/zinc/10/99/15/373109915.db2.gz CYAREFHBUMETPQ-UHFFFAOYSA-N -1 3 299.370 3.256 20 0 CGADHM O=C([O-])[C@]12CCC[C@H]1CN(Cc1ccc(F)cc1Cl)C2 ZINC000296400535 373120174 /nfs/dbraw/zinc/12/01/74/373120174.db2.gz LMEPCISQJYHCAI-NHYWBVRUSA-N -1 3 297.757 3.166 20 0 CGADHM CC(C)C[C@@]1(C)CCCN1C(=O)c1ccc(O)cc1[O-] ZINC000296463668 373142235 /nfs/dbraw/zinc/14/22/35/373142235.db2.gz ZTIUJENSDLDTOZ-MRXNPFEDSA-N -1 3 277.364 3.139 20 0 CGADHM CC(C)CON=C([O-])Nc1ccc(C2CCC2)cn1 ZINC000296822644 373251241 /nfs/dbraw/zinc/25/12/41/373251241.db2.gz DNLNITDLOWKOKV-UHFFFAOYSA-N -1 3 263.341 3.058 20 0 CGADHM CC(C)CO[N-]C(=O)Nc1ccc(C2CCC2)cn1 ZINC000296822644 373251245 /nfs/dbraw/zinc/25/12/45/373251245.db2.gz DNLNITDLOWKOKV-UHFFFAOYSA-N -1 3 263.341 3.058 20 0 CGADHM CCOc1cc(CNCc2ccoc2)cc(Cl)c1[O-] ZINC000298710365 373388668 /nfs/dbraw/zinc/38/86/68/373388668.db2.gz MITKZQBOPFFYEU-UHFFFAOYSA-N -1 3 281.739 3.327 20 0 CGADHM CSC1(CNC(=O)c2ccc(C)c(C)c2[O-])CCC1 ZINC000447632589 373468447 /nfs/dbraw/zinc/46/84/47/373468447.db2.gz LUSRKAMNKCHRLQ-UHFFFAOYSA-N -1 3 279.405 3.025 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2ncc(Cl)s2)c1 ZINC000064499229 541888433 /nfs/dbraw/zinc/88/84/33/541888433.db2.gz RNMFWTSQIXKEPO-UHFFFAOYSA-N -1 3 268.725 3.063 20 0 CGADHM Cc1cccc(C(=O)N2CC3C[C@@H]4CC2C[C@H](C3)C4)c1[O-] ZINC000299402832 373529362 /nfs/dbraw/zinc/52/93/62/373529362.db2.gz NMTRYAZMDFKXNU-DGKWVBSXSA-N -1 3 285.387 3.351 20 0 CGADHM CC(=C([O-])Nc1cc(C2(C)CCCC2)on1)C(F)(F)F ZINC000448413574 373577584 /nfs/dbraw/zinc/57/75/84/373577584.db2.gz KLZWZCAWXJNZMV-MRVPVSSYSA-N -1 3 290.285 3.065 20 0 CGADHM Cc1ccc(NC(=O)[C@@H]2CCN(c3ccccc3)C2)c([O-])c1 ZINC000448576390 373609738 /nfs/dbraw/zinc/60/97/38/373609738.db2.gz ZVKUDTGZWFCLNH-CQSZACIVSA-N -1 3 296.370 3.166 20 0 CGADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC(C)CC3)nc2)n1 ZINC000301183229 373685038 /nfs/dbraw/zinc/68/50/38/373685038.db2.gz QFIOLWWAQYMEGM-UHFFFAOYSA-N -1 3 298.390 3.043 20 0 CGADHM [O-]c1ccc(F)c(CNC[C@H]2CCOC3(CCC3)C2)c1F ZINC000449479039 373767254 /nfs/dbraw/zinc/76/72/54/373767254.db2.gz LLIZRAHQKXDMGL-NSHDSACASA-N -1 3 297.345 3.109 20 0 CGADHM CCc1cc(=O)[n-]c(-c2ccc(N3CC[C@@H](C)[C@@H]3C)nc2)n1 ZINC000301503415 373781811 /nfs/dbraw/zinc/78/18/11/373781811.db2.gz YLKFKSRXXRVZGZ-NEPJUHHUSA-N -1 3 298.390 3.041 20 0 CGADHM CCO[C@@H]1CCC[C@H]1NCc1cccc([O-])c1Cl ZINC000449751681 373880551 /nfs/dbraw/zinc/88/05/51/373880551.db2.gz AGAQZCXAROFBLS-DGCLKSJQSA-N -1 3 269.772 3.093 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])C1CCC(F)(F)CC1 ZINC000179649829 373898272 /nfs/dbraw/zinc/89/82/72/373898272.db2.gz VQRDERZXWGKGLA-UHFFFAOYSA-N -1 3 273.254 3.295 20 0 CGADHM Cn1cccc1C(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000179659007 373901628 /nfs/dbraw/zinc/90/16/28/373901628.db2.gz WMCNXANRAJANCP-UHFFFAOYSA-N -1 3 284.237 3.002 20 0 CGADHM CC[C@H]1CCCN(C(=O)Cc2ccc([O-])c(F)c2)CC1 ZINC000449882520 373957252 /nfs/dbraw/zinc/95/72/52/373957252.db2.gz JKCFUKAVGSGJBI-LBPRGKRZSA-N -1 3 279.355 3.113 20 0 CGADHM O=C(C[C@@H]1CC[C@@H]2C[C@@H]21)Nc1ccc(Cl)cc1[O-] ZINC000450221274 374006909 /nfs/dbraw/zinc/00/69/09/374006909.db2.gz QHYYBGLYOIWILZ-YWVKMMECSA-N -1 3 265.740 3.420 20 0 CGADHM Cc1ccc(NC(=O)c2cc(-c3cccnc3)on2)c([O-])c1 ZINC000302986216 374008194 /nfs/dbraw/zinc/00/81/94/374008194.db2.gz WJSLMVKOBXKJJL-UHFFFAOYSA-N -1 3 295.298 3.003 20 0 CGADHM C[C@H]1SCCN(CCCCC(=O)[O-])[C@H]1c1ccccc1 ZINC000181566422 374141714 /nfs/dbraw/zinc/14/17/14/374141714.db2.gz QCQNMASVYOGGHA-CZUORRHYSA-N -1 3 293.432 3.420 20 0 CGADHM Cc1cc(NCCC(C)(C)C(=O)[O-])c2ccccc2n1 ZINC000312356289 374277893 /nfs/dbraw/zinc/27/78/93/374277893.db2.gz IXYKDHBDGVHKQT-UHFFFAOYSA-N -1 3 272.348 3.456 20 0 CGADHM C[C@@H](c1cc(F)ccc1F)N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000312629340 374286522 /nfs/dbraw/zinc/28/65/22/374286522.db2.gz YOXSMKSRAOECQP-JFGNBEQYSA-N -1 3 283.318 3.068 20 0 CGADHM COc1cccc(C(=O)NC(C)(C)c2ccccc2)c1[O-] ZINC000313735776 374304441 /nfs/dbraw/zinc/30/44/41/374304441.db2.gz CCPQCIHMXITONT-UHFFFAOYSA-N -1 3 285.343 3.066 20 0 CGADHM C[C@H](NC[C@H]1CCCC[C@@H]1C)c1ncc(C(=O)[O-])s1 ZINC000315360318 374329060 /nfs/dbraw/zinc/32/90/60/374329060.db2.gz QPGKMNSUXJDSJO-GARJFASQSA-N -1 3 282.409 3.318 20 0 CGADHM O=C([O-])[C@@H]1Cc2ccccc2CN1C/C=C\c1ccccc1 ZINC000315665612 374330464 /nfs/dbraw/zinc/33/04/64/374330464.db2.gz YJILOPKNVFPMFP-KKMIYCERSA-N -1 3 293.366 3.211 20 0 CGADHM [O-]c1ccc(-c2noc(-c3cccc4nccnc43)n2)cc1 ZINC000317900179 374341850 /nfs/dbraw/zinc/34/18/50/374341850.db2.gz XKQLDNHDTQLPIK-UHFFFAOYSA-N -1 3 290.282 3.052 20 0 CGADHM CC(C)c1cccc(NC(=O)c2cccc3nn[n-]c32)c1 ZINC000182688869 374314596 /nfs/dbraw/zinc/31/45/96/374314596.db2.gz LKAYSBRAUKQLOE-UHFFFAOYSA-N -1 3 280.331 3.334 20 0 CGADHM CC(C)c1cccc(NC(=O)c2cccc3[n-]nnc32)c1 ZINC000182688869 374314602 /nfs/dbraw/zinc/31/46/02/374314602.db2.gz LKAYSBRAUKQLOE-UHFFFAOYSA-N -1 3 280.331 3.334 20 0 CGADHM CC(C)c1cccc(NC(=O)c2cccc3n[n-]nc32)c1 ZINC000182688869 374314609 /nfs/dbraw/zinc/31/46/09/374314609.db2.gz LKAYSBRAUKQLOE-UHFFFAOYSA-N -1 3 280.331 3.334 20 0 CGADHM Cc1cccc([O-])c1NC(=O)c1ccc2c(c1)CCC2 ZINC000183014356 374356088 /nfs/dbraw/zinc/35/60/88/374356088.db2.gz QXFCYOMPWIXOPC-UHFFFAOYSA-N -1 3 267.328 3.442 20 0 CGADHM O=S(=O)([N-]C(C1CCC1)C1CCC1)c1ccccc1F ZINC000324887014 374356756 /nfs/dbraw/zinc/35/67/56/374356756.db2.gz LGKGXNRMZPIBLT-UHFFFAOYSA-N -1 3 297.395 3.073 20 0 CGADHM [O-]c1cccc(CN2CCN(C3CCCC3)CC2)c1Cl ZINC000328447306 374365014 /nfs/dbraw/zinc/36/50/14/374365014.db2.gz GELYBCAQXTVRGP-UHFFFAOYSA-N -1 3 294.826 3.106 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)c2cccc(O)c2)c1[O-] ZINC000182939612 374348250 /nfs/dbraw/zinc/34/82/50/374348250.db2.gz WZSKWNRJYHSYSR-UHFFFAOYSA-N -1 3 277.707 3.312 20 0 CGADHM Cc1cc2ccccc2n1CC(=O)Nc1ccc([O-])cc1F ZINC000183257702 374393646 /nfs/dbraw/zinc/39/36/46/374393646.db2.gz YFUJLRQSNHYHIO-UHFFFAOYSA-N -1 3 298.317 3.433 20 0 CGADHM Cc1cccc(CN2Cc3ccccc3[C@@H](C(=O)[O-])C2)c1 ZINC000087612167 541944606 /nfs/dbraw/zinc/94/46/06/541944606.db2.gz ZXDYEUZXRPQKEJ-KRWDZBQOSA-N -1 3 281.355 3.179 20 0 CGADHM CC(C)(C)c1ccc(NC(=O)CC2(O)CCCC2)c([O-])c1 ZINC000330386038 374456861 /nfs/dbraw/zinc/45/68/61/374456861.db2.gz AMEXYDVNDRFMDN-UHFFFAOYSA-N -1 3 291.391 3.323 20 0 CGADHM O=C([O-])CN(Cc1cc(Cl)ccc1Cl)CC1CC1 ZINC000087761460 541944944 /nfs/dbraw/zinc/94/49/44/541944944.db2.gz LASIRJTXPNMARS-UHFFFAOYSA-N -1 3 288.174 3.290 20 0 CGADHM COc1ccc(Cl)cc1C[S@@](=O)c1cccc([O-])c1 ZINC000184034730 374484060 /nfs/dbraw/zinc/48/40/60/374484060.db2.gz HGLZZNPASOBDBR-LJQANCHMSA-N -1 3 296.775 3.362 20 0 CGADHM O=[S@@](Cc1ccccc1OC(F)F)c1cccc([O-])c1 ZINC000184046816 374485636 /nfs/dbraw/zinc/48/56/36/374485636.db2.gz XRKLSOBCOZEPAU-FQEVSTJZSA-N -1 3 298.310 3.301 20 0 CGADHM CCC1(C(=O)Nc2nnc(C(F)(F)F)[n-]2)CCCCC1 ZINC000184101480 374491294 /nfs/dbraw/zinc/49/12/94/374491294.db2.gz QOVHKOQVNDPGOS-UHFFFAOYSA-N -1 3 290.289 3.123 20 0 CGADHM CCC1(C(=O)Nc2nc(C(F)(F)F)n[n-]2)CCCCC1 ZINC000184101480 374491298 /nfs/dbraw/zinc/49/12/98/374491298.db2.gz QOVHKOQVNDPGOS-UHFFFAOYSA-N -1 3 290.289 3.123 20 0 CGADHM C[C@@H]1CCCC[C@H]1OCC(=O)Nc1cc(F)ccc1[O-] ZINC000330487588 374472299 /nfs/dbraw/zinc/47/22/99/374472299.db2.gz GVFZKMZJZKYTET-QMTHXVAHSA-N -1 3 281.327 3.065 20 0 CGADHM [O-]c1cc(F)cc(CNCc2ccccc2Cl)c1 ZINC000184131418 374495194 /nfs/dbraw/zinc/49/51/94/374495194.db2.gz GSMOVANJJXZXDB-UHFFFAOYSA-N -1 3 265.715 3.475 20 0 CGADHM COc1ccc(NC(=O)[C@H]2CCC[C@H](C)C2)c([O-])c1 ZINC000331274227 374518684 /nfs/dbraw/zinc/51/86/84/374518684.db2.gz DDEFDIQEGNIEIX-QWRGUYRKSA-N -1 3 263.337 3.166 20 0 CGADHM COc1ccc(NC(=O)CC2=CCCCC2)c([O-])c1 ZINC000331274266 374519018 /nfs/dbraw/zinc/51/90/18/374519018.db2.gz DIPFBYSBEMIFCH-UHFFFAOYSA-N -1 3 261.321 3.230 20 0 CGADHM [O-]c1cc(F)cc(CNCc2ccccc2OC(F)F)c1 ZINC000184134333 374497286 /nfs/dbraw/zinc/49/72/86/374497286.db2.gz ZCFLNNCWFRUFGQ-UHFFFAOYSA-N -1 3 297.276 3.423 20 0 CGADHM C[C@@H]1C[C@H](c2cccnc2)N(C(=O)c2cccc([O-])c2)C1 ZINC000184763398 374556253 /nfs/dbraw/zinc/55/62/53/374556253.db2.gz YDLCDQBVWIFQKF-MLGOLLRUSA-N -1 3 282.343 3.011 20 0 CGADHM O=C(N[C@@H]1CCC12CCCC2)c1cc([O-])ccc1Cl ZINC000334223434 206216705 /nfs/dbraw/zinc/21/67/05/206216705.db2.gz XEWGLISVDJIPEF-CYBMUJFWSA-N -1 3 279.767 3.498 20 0 CGADHM CC[C@H]1CC[C@H](NC(=O)c2cc(=O)c3ccccc3[n-]2)CC1 ZINC000334357101 374680978 /nfs/dbraw/zinc/68/09/78/374680978.db2.gz PBSAOSWLYRGWHV-JOCQHMNTSA-N -1 3 298.386 3.227 20 0 CGADHM C[C@H](NC(=O)c1cc([O-])ccc1Cl)c1cncc(F)c1 ZINC000334358010 374681674 /nfs/dbraw/zinc/68/16/74/374681674.db2.gz RMRXNUQZQDHDIG-QMMMGPOBSA-N -1 3 294.713 3.071 20 0 CGADHM COC[C@H](NCc1cc([O-])cc(F)c1)c1ccccc1 ZINC000185534785 374683381 /nfs/dbraw/zinc/68/33/81/374683381.db2.gz KJZPNPNIZDGANC-INIZCTEOSA-N -1 3 275.323 3.009 20 0 CGADHM C[C@H](c1cccc(O)c1)N(C)Cc1cc([O-])cc(F)c1 ZINC000186222507 374816949 /nfs/dbraw/zinc/81/69/49/374816949.db2.gz AKKFZWDXEOVBQQ-LLVKDONJSA-N -1 3 275.323 3.430 20 0 CGADHM C[C@@H]1CC[C@@H](NC(=O)NCc2ccc([O-])c(F)c2)C[C@@H]1C ZINC000186261266 374822974 /nfs/dbraw/zinc/82/29/74/374822974.db2.gz SRGCNXBGTDFDNX-NTZNESFSSA-N -1 3 294.370 3.155 20 0 CGADHM C[C@@H]1CCN(C(=O)CCc2ccoc2)c2c([O-])cccc21 ZINC000186272635 374824878 /nfs/dbraw/zinc/82/48/78/374824878.db2.gz KPZMNSSYHYGPET-GFCCVEGCSA-N -1 3 285.343 3.458 20 0 CGADHM C[C@@H]1CCN(C(=O)CC[C@@H]2CCOC2)c2c([O-])cccc21 ZINC000186331779 374833983 /nfs/dbraw/zinc/83/39/83/374833983.db2.gz MYCSOSXEYCWKKC-CHWSQXEVSA-N -1 3 289.375 3.049 20 0 CGADHM CCN(CC)C(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000186942334 374941431 /nfs/dbraw/zinc/94/14/31/374941431.db2.gz FYLUASQDIALXPH-UHFFFAOYSA-N -1 3 297.354 3.105 20 0 CGADHM C[C@H]1CCCCN(C(=O)Cc2ccc([O-])cc2Cl)C1 ZINC000187100375 374971543 /nfs/dbraw/zinc/97/15/43/374971543.db2.gz DONBGSKORXDAPK-NSHDSACASA-N -1 3 281.783 3.237 20 0 CGADHM O=C(c1cccc([O-])c1)N1Cc2ccccc2C2(CC2)C1 ZINC000187296131 375000258 /nfs/dbraw/zinc/00/02/58/375000258.db2.gz PBBVCVLPGHNHIA-UHFFFAOYSA-N -1 3 279.339 3.080 20 0 CGADHM CC[C@@H]1[C@@H](C)CCN1C(=O)Cc1ccc([O-])cc1Cl ZINC000187442507 375022895 /nfs/dbraw/zinc/02/28/95/375022895.db2.gz JLGJEPVKWHNUFZ-IINYFYTJSA-N -1 3 281.783 3.235 20 0 CGADHM COC(=O)c1cnc(S[C@@H](C)c2cccc(OC)c2)[n-]1 ZINC000187583607 375048342 /nfs/dbraw/zinc/04/83/42/375048342.db2.gz CINOYCQVNOBPFZ-VIFPVBQESA-N -1 3 292.360 3.058 20 0 CGADHM Cc1cc(S(=O)(=O)[N-][C@H]2CC=CCC2)sc1Cl ZINC000187987828 375133398 /nfs/dbraw/zinc/13/33/98/375133398.db2.gz PZGDVBAEWBPXGN-VIFPVBQESA-N -1 3 291.825 3.097 20 0 CGADHM O=C([N-]c1ccc(F)c(F)c1F)c1ocnc1C1CC1 ZINC000335125129 375152780 /nfs/dbraw/zinc/15/27/80/375152780.db2.gz UNURXMGAZBMQDU-UHFFFAOYSA-N -1 3 282.221 3.222 20 0 CGADHM CCc1cc(C(=O)N[C@H](C)CC(F)(F)F)ccc1[O-] ZINC000487132662 375201088 /nfs/dbraw/zinc/20/10/88/375201088.db2.gz IVYVLLTYPULJNA-MRVPVSSYSA-N -1 3 275.270 3.025 20 0 CGADHM CS[C@@H]1CCN(C(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000335433212 375289115 /nfs/dbraw/zinc/28/91/15/375289115.db2.gz BGFXVJHZPVMOPF-CYBMUJFWSA-N -1 3 287.384 3.123 20 0 CGADHM CCc1ccc(C(=O)N2CC[C@@H](C)[C@H](C)C2)c([O-])c1 ZINC000188910337 375289292 /nfs/dbraw/zinc/28/92/92/375289292.db2.gz DNNDLWBZOXGMTF-VXGBXAGGSA-N -1 3 261.365 3.073 20 0 CGADHM [O-]c1cccc(CN2CC[C@@H](c3cccnc3)C2)c1Cl ZINC000335445785 375299705 /nfs/dbraw/zinc/29/97/05/375299705.db2.gz YQUSMJXXGDQVAV-CYBMUJFWSA-N -1 3 288.778 3.430 20 0 CGADHM Cc1noc(C)c1[N-]C(=O)c1cc(F)ccc1Cl ZINC000335453079 375304278 /nfs/dbraw/zinc/30/42/78/375304278.db2.gz ZKFFAJBWYWSTDP-UHFFFAOYSA-N -1 3 268.675 3.336 20 0 CGADHM CCc1cc(C(=O)N[C@H]2CC23CCCC3)ccc1[O-] ZINC000487601979 375261643 /nfs/dbraw/zinc/26/16/43/375261643.db2.gz CRROFKSHTRNQAJ-AWEZNQCLSA-N -1 3 259.349 3.017 20 0 CGADHM O=C(/C=C\c1cccc2ccccc12)[N-]OCC(F)(F)F ZINC000492178574 375437678 /nfs/dbraw/zinc/43/76/78/375437678.db2.gz DZMAGOMVIQSUEM-HJWRWDBZSA-N -1 3 295.260 3.463 20 0 CGADHM [O-]c1ccc(F)c(CN2CCC[C@H]2c2cccnc2)c1F ZINC000335909900 375533797 /nfs/dbraw/zinc/53/37/97/375533797.db2.gz VHPNZMFOPMXQHA-AWEZNQCLSA-N -1 3 290.313 3.403 20 0 CGADHM [O-]c1ccc(CNCc2nccn2-c2ccccc2)cc1F ZINC000191150978 375586239 /nfs/dbraw/zinc/58/62/39/375586239.db2.gz DXAKNWBIMOHSDT-UHFFFAOYSA-N -1 3 297.333 3.007 20 0 CGADHM Cc1ncc(CN(C)C(=O)c2cc([O-])ccc2Cl)s1 ZINC000336003816 375609693 /nfs/dbraw/zinc/60/96/93/375609693.db2.gz MGYVVKNHNAVTMK-UHFFFAOYSA-N -1 3 296.779 3.083 20 0 CGADHM Cc1cc([C@H]2CCCN2Cc2cc([O-])cc(F)c2)on1 ZINC000336067099 375658990 /nfs/dbraw/zinc/65/89/90/375658990.db2.gz AVTLAJFNDHFCSB-CQSZACIVSA-N -1 3 276.311 3.165 20 0 CGADHM O=C(Nc1cccc([O-])c1F)C1(c2cccc(F)c2)CC1 ZINC000128420261 542052518 /nfs/dbraw/zinc/05/25/18/542052518.db2.gz IWKATOVIBGKXNY-UHFFFAOYSA-N -1 3 289.281 3.341 20 0 CGADHM CC(C)(C(=O)Nc1ccccc1[O-])c1cccs1 ZINC000127500127 542045656 /nfs/dbraw/zinc/04/56/56/542045656.db2.gz TVSCGYZVQLWLKO-UHFFFAOYSA-N -1 3 261.346 3.370 20 0 CGADHM Cc1cccc(C(=O)N2CCC[C@H]2c2cccn2C)c1[O-] ZINC000192916556 375801815 /nfs/dbraw/zinc/80/18/15/375801815.db2.gz NNVPSNKGSQWSDH-HNNXBMFYSA-N -1 3 284.359 3.016 20 0 CGADHM CC1(C)CCC[C@H]1CNC(=O)c1c[n-]nc1-c1ccccn1 ZINC000515397497 375813042 /nfs/dbraw/zinc/81/30/42/375813042.db2.gz WLQNYMYHGWDQRG-LBPRGKRZSA-N -1 3 298.390 3.028 20 0 CGADHM CC[C@@H](N[C@@H](C)c1nc(C)cc(=O)[n-]1)c1nc(C)cs1 ZINC000192777438 375787849 /nfs/dbraw/zinc/78/78/49/375787849.db2.gz RXTJCLXJZYJYEX-WDEREUQCSA-N -1 3 292.408 3.057 20 0 CGADHM Cc1cccc2c1CC[C@@H]2NC(=O)c1ccccc1[O-] ZINC000520566118 375863477 /nfs/dbraw/zinc/86/34/77/375863477.db2.gz JLJGIOZFPUULFX-HNNXBMFYSA-N -1 3 267.328 3.118 20 0 CGADHM CSc1ccsc1C(=O)Nc1nc(C)ccc1[O-] ZINC000336558588 375830241 /nfs/dbraw/zinc/83/02/41/375830241.db2.gz CXUGGQJGQNQBGH-UHFFFAOYSA-N -1 3 280.374 3.131 20 0 CGADHM Cc1cccc(C(=O)N2CCC=C(c3ccco3)C2)c1[O-] ZINC000336593520 375860098 /nfs/dbraw/zinc/86/00/98/375860098.db2.gz ILRNDTUWJLWKLD-UHFFFAOYSA-N -1 3 283.327 3.223 20 0 CGADHM Cc1ccc(NC(=O)C(C)(C)C2CCC(O)CC2)c([O-])c1 ZINC000336613500 375874053 /nfs/dbraw/zinc/87/40/53/375874053.db2.gz QZYPSRVBLJIOOW-UHFFFAOYSA-N -1 3 291.391 3.216 20 0 CGADHM Cc1cncc(NC(=O)c2cc([O-])ccc2C(F)(F)F)c1 ZINC000193463484 375881362 /nfs/dbraw/zinc/88/13/62/375881362.db2.gz RTNPAEBBXBZYLQ-UHFFFAOYSA-N -1 3 296.248 3.367 20 0 CGADHM O=C(c1cc([O-])ccc1C(F)(F)F)N1CCC2(CCC2)C1 ZINC000193518441 375891269 /nfs/dbraw/zinc/89/12/69/375891269.db2.gz KKPJRHDLDCGIFJ-UHFFFAOYSA-N -1 3 299.292 3.427 20 0 CGADHM CCCc1cc(=O)[n-]c(C(=Cc2ccc(O)cc2)CC)n1 ZINC000193618671 375897684 /nfs/dbraw/zinc/89/76/84/375897684.db2.gz FVYMUUFEUNXATE-RAXLEYEMSA-N -1 3 284.359 3.379 20 0 CGADHM CCCc1cc(=O)[n-]c(C(=Cc2cncs2)CC)n1 ZINC000193615662 375898212 /nfs/dbraw/zinc/89/82/12/375898212.db2.gz DVBVWSCYCDPMFV-POHAHGRESA-N -1 3 275.377 3.130 20 0 CGADHM CC1(C)C[C@H]1CN=c1[n-]c(C(F)(F)F)cs1 ZINC000336782856 375935072 /nfs/dbraw/zinc/93/50/72/375935072.db2.gz YVGOTGLFRQGPQV-LURJTMIESA-N -1 3 250.289 3.042 20 0 CGADHM Cc1ccc(NC(=O)c2cccc3c2CCC3)c([O-])c1 ZINC000194366367 375992147 /nfs/dbraw/zinc/99/21/47/375992147.db2.gz XNTIGAYRIHPDJK-UHFFFAOYSA-N -1 3 267.328 3.442 20 0 CGADHM Cc1cc2c([n-]c(CO[C@@H]3CCCC[C@H]3C)nc2=O)s1 ZINC000194400536 375998755 /nfs/dbraw/zinc/99/87/55/375998755.db2.gz VSRXHANMESOQQG-BXKDBHETSA-N -1 3 292.404 3.388 20 0 CGADHM CCON=C([O-])Nc1nc2c(s1)C[C@H](C(C)(C)C)CC2 ZINC000194578206 376019581 /nfs/dbraw/zinc/01/95/81/376019581.db2.gz AJHBWNDYCDLFOD-SECBINFHSA-N -1 3 297.424 3.367 20 0 CGADHM CCO[N-]C(=O)Nc1nc2c(s1)C[C@H](C(C)(C)C)CC2 ZINC000194578206 376019589 /nfs/dbraw/zinc/01/95/89/376019589.db2.gz AJHBWNDYCDLFOD-SECBINFHSA-N -1 3 297.424 3.367 20 0 CGADHM O=C(c1ccc2c(c1[O-])CCCC2)N1CC(C2CCC2)C1 ZINC000436863562 296238584 /nfs/dbraw/zinc/23/85/84/296238584.db2.gz JERCMQYCJMPWDE-UHFFFAOYSA-N -1 3 285.387 3.143 20 0 CGADHM CCCc1cc(=O)[n-]c(SCC[C@@H]2CCCCN2C)n1 ZINC000195550162 376112510 /nfs/dbraw/zinc/11/25/10/376112510.db2.gz FBOAQOHYQONLPI-ZDUSSCGKSA-N -1 3 295.452 3.101 20 0 CGADHM CCCc1occc1C(=O)Nc1ccc([O-])cc1F ZINC000337049173 376067399 /nfs/dbraw/zinc/06/73/99/376067399.db2.gz NZJBUWHXFAAOPB-UHFFFAOYSA-N -1 3 263.268 3.329 20 0 CGADHM CCCC[C@@H](C)C(=O)[N-]c1oc(CC)nc1C(=O)OCC ZINC000337093347 376078087 /nfs/dbraw/zinc/07/80/87/376078087.db2.gz MFAMEHNTPXUIIZ-SNVBAGLBSA-N -1 3 296.367 3.179 20 0 CGADHM CCCC[C@@H]([N-]S(=O)(=O)c1ccc(C)o1)C1CCC1 ZINC000536904143 376143055 /nfs/dbraw/zinc/14/30/55/376143055.db2.gz HVRDXMYVOFAEEC-CYBMUJFWSA-N -1 3 285.409 3.225 20 0 CGADHM Cc1cc(F)cc(S(=O)(=O)[N-]c2cccc(C)c2F)c1 ZINC000538299322 376230555 /nfs/dbraw/zinc/23/05/55/376230555.db2.gz XTENDLMVSGZWLY-UHFFFAOYSA-N -1 3 297.326 3.382 20 0 CGADHM CCc1cccc(C(=O)Nc2ccc3[nH]cnc3c2)c1[O-] ZINC000538740745 376267806 /nfs/dbraw/zinc/26/78/06/376267806.db2.gz RMXHJHYZXFDLGX-UHFFFAOYSA-N -1 3 281.315 3.083 20 0 CGADHM CCc1cccc(C(=O)Nc2ccc3nc[nH]c3c2)c1[O-] ZINC000538740745 376267809 /nfs/dbraw/zinc/26/78/09/376267809.db2.gz RMXHJHYZXFDLGX-UHFFFAOYSA-N -1 3 281.315 3.083 20 0 CGADHM CCc1cccc(C(=O)N2C[C@@H](C)C[C@@H]2CC)c1[O-] ZINC000538782814 376271105 /nfs/dbraw/zinc/27/11/05/376271105.db2.gz HGDHZZWDZDZVRH-AAEUAGOBSA-N -1 3 261.365 3.215 20 0 CGADHM CCOC(=O)c1ccc(NC(=O)CC(CC)CC)c([O-])c1 ZINC000538929011 376278640 /nfs/dbraw/zinc/27/86/40/376278640.db2.gz UTLRPAZTPKRGGB-UHFFFAOYSA-N -1 3 293.363 3.334 20 0 CGADHM CCS[C@@H]1CCC[C@@H]1NC(=O)c1cc(C)ccc1[O-] ZINC000225706249 376321447 /nfs/dbraw/zinc/32/14/47/376321447.db2.gz ILYYZTLNGFSBDE-GXTWGEPZSA-N -1 3 279.405 3.105 20 0 CGADHM O=C(CCCC(F)(F)F)Nc1cccc([O-])c1F ZINC000540026780 376352727 /nfs/dbraw/zinc/35/27/27/376352727.db2.gz AEPQQXLWDHGOLP-UHFFFAOYSA-N -1 3 265.206 3.202 20 0 CGADHM Cc1cccc(N(C)C(=O)c2ccc([O-])c(C)c2)c1 ZINC000226995513 376377788 /nfs/dbraw/zinc/37/77/88/376377788.db2.gz IVPYFJPMWIMGLW-UHFFFAOYSA-N -1 3 255.317 3.286 20 0 CGADHM Cc1cc(C(=O)N2c3ccccc3C[C@H]2C)ccc1[O-] ZINC000226953402 376377821 /nfs/dbraw/zinc/37/78/21/376377821.db2.gz LXGPUGQJOVNBMY-GFCCVEGCSA-N -1 3 267.328 3.292 20 0 CGADHM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1c(F)cccc1F ZINC000227228963 376385940 /nfs/dbraw/zinc/38/59/40/376385940.db2.gz SPECHMCNBPBYMB-LKTVYLICSA-N -1 3 295.329 3.183 20 0 CGADHM Cc1nc(C(C)C)oc1C(=O)Nc1cccc([O-])c1F ZINC000334299693 206331675 /nfs/dbraw/zinc/33/16/75/206331675.db2.gz RKVBLQNSKHMBSE-UHFFFAOYSA-N -1 3 278.283 3.203 20 0 CGADHM CCCN(CC1CC1)C(=O)c1cc([O-])ccc1Cl ZINC000233029211 376595880 /nfs/dbraw/zinc/59/58/80/376595880.db2.gz WKTAVBWHGLPECG-UHFFFAOYSA-N -1 3 267.756 3.308 20 0 CGADHM Cc1ccc(C(=O)N2CC[C@H](Nc3ccccc3)C2)c([O-])c1 ZINC000334335887 206387899 /nfs/dbraw/zinc/38/78/99/206387899.db2.gz REJRTRFJRQHTPW-HNNXBMFYSA-N -1 3 296.370 3.027 20 0 CGADHM CC(C)(CCC(=O)Nc1ncccc1[O-])c1ccccc1 ZINC000338940160 376585157 /nfs/dbraw/zinc/58/51/57/376585157.db2.gz SKTRRRVEWDLNGH-UHFFFAOYSA-N -1 3 284.359 3.484 20 0 CGADHM O=C(COc1cccc(F)c1)Nc1ccc(Cl)cc1[O-] ZINC000339006768 376626613 /nfs/dbraw/zinc/62/66/13/376626613.db2.gz BMYLQBBYCNOFBI-UHFFFAOYSA-N -1 3 295.697 3.202 20 0 CGADHM O=C(Nc1ccc(Cl)cc1[O-])[C@H]1Cc2ccccc21 ZINC000339008103 376627261 /nfs/dbraw/zinc/62/72/61/376627261.db2.gz LZVHBLYQPJJHBI-LBPRGKRZSA-N -1 3 273.719 3.324 20 0 CGADHM CC(C)[C@H](c1ccccc1Cl)N(C)CC(=O)[O-] ZINC000236720113 376686083 /nfs/dbraw/zinc/68/60/83/376686083.db2.gz FRNLWGGZVAQDFJ-CYBMUJFWSA-N -1 3 255.745 3.054 20 0 CGADHM CCOc1cc(C=Cc2nc(C)cc(=O)[n-]2)ccc1OC ZINC000339116267 376689508 /nfs/dbraw/zinc/68/95/08/376689508.db2.gz ITUNBAOGCIOBND-SOFGYWHQSA-N -1 3 286.331 3.068 20 0 CGADHM CCOc1cccc(C=Cc2nc(C)cc(=O)[n-]2)c1 ZINC000339115209 376690579 /nfs/dbraw/zinc/69/05/79/376690579.db2.gz MJXIKUDQQWSJMW-BQYQJAHWSA-N -1 3 256.305 3.060 20 0 CGADHM COc1ccc(NC(=O)[C@H](C)c2cccs2)c([O-])c1 ZINC000135404208 542088373 /nfs/dbraw/zinc/08/83/73/542088373.db2.gz QFZNMRDKKHPONA-SECBINFHSA-N -1 3 277.345 3.205 20 0 CGADHM COc1ccc(NC(=O)c2cnc(C(C)C)s2)c([O-])c1 ZINC000135413262 542087632 /nfs/dbraw/zinc/08/76/32/542087632.db2.gz IUECVFTYEUKMIG-UHFFFAOYSA-N -1 3 292.360 3.233 20 0 CGADHM COc1ccc(NC(=O)c2cccc(F)c2Cl)c([O-])c1 ZINC000135408638 542087731 /nfs/dbraw/zinc/08/77/31/542087731.db2.gz BFHUIRBTSQLBQL-UHFFFAOYSA-N -1 3 295.697 3.446 20 0 CGADHM CC[C@H](OC1CCCC1)C(=O)Nc1ccc(OC)cc1[O-] ZINC000135416826 542087792 /nfs/dbraw/zinc/08/77/92/542087792.db2.gz XVPSVCADBPVEMA-HNNXBMFYSA-N -1 3 293.363 3.077 20 0 CGADHM CCc1cccc(-c2nc(COC3CCCC3)no2)c1[O-] ZINC000545008712 376778929 /nfs/dbraw/zinc/77/89/29/376778929.db2.gz WUHFTTBTPNXTJO-UHFFFAOYSA-N -1 3 288.347 3.464 20 0 CGADHM CC(C)CO[C@@H](C)C(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000545246654 376803150 /nfs/dbraw/zinc/80/31/50/376803150.db2.gz QATPEIXUULAWMJ-STQMWFEESA-N -1 3 291.391 3.294 20 0 CGADHM O=C(CSc1cc(F)ccc1F)Nc1ccccc1[O-] ZINC000340120485 376923986 /nfs/dbraw/zinc/92/39/86/376923986.db2.gz IULIADBDHSXNAS-UHFFFAOYSA-N -1 3 295.310 3.401 20 0 CGADHM CCc1cc(C(=O)Nc2ccc(NC(C)=O)cc2)ccc1[O-] ZINC000340762202 377246121 /nfs/dbraw/zinc/24/61/21/377246121.db2.gz WGCHGPLZRNTAKL-UHFFFAOYSA-N -1 3 298.342 3.165 20 0 CGADHM CCCOc1ccc2c(c1)CCN(Cc1ncccc1[O-])C2 ZINC000561950926 377254799 /nfs/dbraw/zinc/25/47/99/377254799.db2.gz JLXYCFQRBYSKGN-UHFFFAOYSA-N -1 3 298.386 3.134 20 0 CGADHM O=C(CCc1cccnc1)Nc1cc(Cl)ccc1[O-] ZINC000248006888 377256650 /nfs/dbraw/zinc/25/66/50/377256650.db2.gz UGEKISBDXKGTNL-UHFFFAOYSA-N -1 3 276.723 3.012 20 0 CGADHM O=C([O-])C[C@@H]1CCCN(C/C=C/c2ccc(F)cc2)C1 ZINC000560927942 377200103 /nfs/dbraw/zinc/20/01/03/377200103.db2.gz SKWVEDFYQLQJIB-YOUVMVQBSA-N -1 3 277.339 3.026 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CCC=C(c3ccco3)C2)c1 ZINC000560977119 377202316 /nfs/dbraw/zinc/20/23/16/377202316.db2.gz RUYXHSHDQBKYAF-UHFFFAOYSA-N -1 3 297.354 3.477 20 0 CGADHM Cc1ccc([O-])c(-c2nc([C@H]3CCCS3)no2)c1 ZINC000161651024 542159618 /nfs/dbraw/zinc/15/96/18/542159618.db2.gz KIAWQGXRTHLOMI-LLVKDONJSA-N -1 3 262.334 3.319 20 0 CGADHM Cc1ccc(C(=O)N2CC[C@@H](c3ccncc3)C2)c([O-])c1C ZINC000563394117 377454644 /nfs/dbraw/zinc/45/46/44/377454644.db2.gz CDZMENBQVZGCGN-OAHLLOKOSA-N -1 3 296.370 3.034 20 0 CGADHM Cc1cc([C@H](C)N(C)CCCOC(C)C)oc1C(=O)[O-] ZINC000563454897 377469525 /nfs/dbraw/zinc/46/95/25/377469525.db2.gz QIARTTNCOTXFMQ-LBPRGKRZSA-N -1 3 283.368 3.094 20 0 CGADHM CCc1ccc([O-])c(C(=O)N[C@@H](CC)c2ccncc2)c1 ZINC000091735721 249031368 /nfs/dbraw/zinc/03/13/68/249031368.db2.gz FVBHDPMPCKMZOL-HNNXBMFYSA-N -1 3 284.359 3.231 20 0 CGADHM COc1cccc(C(=O)Nc2cc(C)cc(F)c2)c1[O-] ZINC000091516325 249031959 /nfs/dbraw/zinc/03/19/59/249031959.db2.gz FIBAALFEDSNOEA-UHFFFAOYSA-N -1 3 275.279 3.101 20 0 CGADHM CCc1ccc([O-])c(C(=O)N[C@H](CC)c2nccs2)c1 ZINC000094163491 249038740 /nfs/dbraw/zinc/03/87/40/249038740.db2.gz VCFHAWRKBMMDIH-GFCCVEGCSA-N -1 3 290.388 3.292 20 0 CGADHM [O-]c1ccc(-c2noc(Cc3c(F)cccc3F)n2)cc1 ZINC000094928846 249043257 /nfs/dbraw/zinc/04/32/57/249043257.db2.gz JMUKIJXYYWINKR-UHFFFAOYSA-N -1 3 288.253 3.311 20 0 CGADHM Cc1cscc1-c1noc(-c2ccccc2[O-])n1 ZINC000094865116 249043408 /nfs/dbraw/zinc/04/34/08/249043408.db2.gz UMPRVZWXTYYBSQ-UHFFFAOYSA-N -1 3 258.302 3.479 20 0 CGADHM [O-]C(=NOC1CCCC1)Nc1ccsc1Cl ZINC000275570522 249066137 /nfs/dbraw/zinc/06/61/37/249066137.db2.gz YPVRTZLTHUJUQW-UHFFFAOYSA-N -1 3 260.746 3.397 20 0 CGADHM O=C([N-]OC1CCCC1)Nc1ccsc1Cl ZINC000275570522 249066141 /nfs/dbraw/zinc/06/61/41/249066141.db2.gz YPVRTZLTHUJUQW-UHFFFAOYSA-N -1 3 260.746 3.397 20 0 CGADHM C[C@H]1CCCN(Cc2cccc([O-])c2Br)C1 ZINC000315290904 249098536 /nfs/dbraw/zinc/09/85/36/249098536.db2.gz DFVQZRVGBHHFRG-JTQLQIEISA-N -1 3 284.197 3.387 20 0 CGADHM O=C(NC[C@H]1CC[C@@H](c2ccccc2)O1)c1ccccc1[O-] ZINC000515024656 249198606 /nfs/dbraw/zinc/19/86/06/249198606.db2.gz LXRSBJGNPVMIIJ-PBHICJAKSA-N -1 3 297.354 3.042 20 0 CGADHM C[C@@H](c1cc(F)ccc1F)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000515059377 249199497 /nfs/dbraw/zinc/19/94/97/249199497.db2.gz LSXWELQMTAJQOH-GBIKHYSHSA-N -1 3 283.318 3.068 20 0 CGADHM CCC[C@@H]1CCCC[C@@H]1CNC(=O)c1csc(=O)[n-]1 ZINC000515428514 249210953 /nfs/dbraw/zinc/21/09/53/249210953.db2.gz DFXYCTIOYIPTQS-GHMZBOCLSA-N -1 3 282.409 3.185 20 0 CGADHM C[C@H](c1ccccc1)[C@H](C)NCc1occc1C(=O)[O-] ZINC000517240742 249260805 /nfs/dbraw/zinc/26/08/05/249260805.db2.gz MLQLJFGMEUKHSQ-RYUDHWBXSA-N -1 3 273.332 3.260 20 0 CGADHM CCCC[C@@H](CC)C(=O)Nc1nc(C)[n-]c1C(=O)OCC ZINC000518639034 249284562 /nfs/dbraw/zinc/28/45/62/249284562.db2.gz OMRDPULSZJQBLW-LLVKDONJSA-N -1 3 295.383 3.050 20 0 CGADHM CCCC[C@@H](CC)C(=O)Nc1[n-]c(C)nc1C(=O)OCC ZINC000518639034 249284563 /nfs/dbraw/zinc/28/45/63/249284563.db2.gz OMRDPULSZJQBLW-LLVKDONJSA-N -1 3 295.383 3.050 20 0 CGADHM CC(C)(C)CCCCC(=O)Nc1ncccc1[O-] ZINC000342564730 377662023 /nfs/dbraw/zinc/66/20/23/377662023.db2.gz BKKNZZJRHRNRRV-UHFFFAOYSA-N -1 3 250.342 3.332 20 0 CGADHM CC[C@H]1[C@H](C)CCN1C(=O)c1c[n-]c2ccc(C)cc2c1=O ZINC000342563927 377662449 /nfs/dbraw/zinc/66/24/49/377662449.db2.gz FSSHHIXDRBSAJB-WBMJQRKESA-N -1 3 298.386 3.097 20 0 CGADHM CC1=C(C)C[C@@H](C(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC000574574561 377681279 /nfs/dbraw/zinc/68/12/79/377681279.db2.gz GSFGFSDTOKSIKT-ZDUSSCGKSA-N -1 3 277.339 3.284 20 0 CGADHM Cc1oc([C@H](C)N2C[C@@H](C)S[C@@H](C)C2)cc1C(=O)[O-] ZINC000574816141 377713637 /nfs/dbraw/zinc/71/36/37/377713637.db2.gz GJUTZVHQJIZRKS-AEJSXWLSSA-N -1 3 283.393 3.173 20 0 CGADHM Cc1nc2ccccc2c(N2C[C@H](C(=O)[O-])C[C@H](C)C2)c1C ZINC000263100663 377919489 /nfs/dbraw/zinc/91/94/89/377919489.db2.gz CUWBRVOEVVYQBY-SMDDNHRTSA-N -1 3 298.386 3.399 20 0 CGADHM CCc1ccc2nccc(NCCCC(=O)[O-])c2c1 ZINC000263393269 377930610 /nfs/dbraw/zinc/93/06/10/377930610.db2.gz GWMWNROUECTYDT-UHFFFAOYSA-N -1 3 258.321 3.074 20 0 CGADHM C[C@H]1C[C@@H](c2cccnc2)N(Cc2ccc(C(=O)[O-])cc2)C1 ZINC000263396276 377931901 /nfs/dbraw/zinc/93/19/01/377931901.db2.gz GQZRWLLQSCTEQU-GUYCJALGSA-N -1 3 296.370 3.363 20 0 CGADHM CC(C)[C@H](NCc1cc(C(F)(F)F)ccc1F)C(=O)[O-] ZINC000262713214 377906862 /nfs/dbraw/zinc/90/68/62/377906862.db2.gz QISANZQKPRAHFS-NSHDSACASA-N -1 3 293.260 3.043 20 0 CGADHM CCc1nc(C)c(CN(CC2CC2)[C@](C)(CC)C(=O)[O-])o1 ZINC000575431560 377908774 /nfs/dbraw/zinc/90/87/74/377908774.db2.gz JNTNSLVPWFKMNQ-MRXNPFEDSA-N -1 3 294.395 3.011 20 0 CGADHM CC(C)Cc1ncc(CN2CCC[C@H](C(=O)[O-])[C@@H]2C)s1 ZINC000263026267 377915252 /nfs/dbraw/zinc/91/52/52/377915252.db2.gz GFHYMINUMDQPHV-AAEUAGOBSA-N -1 3 296.436 3.027 20 0 CGADHM CC[C@@H](CC(=O)Nc1nnc(SC)[n-]1)c1ccccc1 ZINC000264168201 377959908 /nfs/dbraw/zinc/95/99/08/377959908.db2.gz VBXKVPLGLVXCAX-JTQLQIEISA-N -1 3 290.392 3.049 20 0 CGADHM CC[C@@H](CC(=O)Nc1nc(SC)n[n-]1)c1ccccc1 ZINC000264168201 377959912 /nfs/dbraw/zinc/95/99/12/377959912.db2.gz VBXKVPLGLVXCAX-JTQLQIEISA-N -1 3 290.392 3.049 20 0 CGADHM CC[C@@H](CC(=O)Nc1n[n-]c(SC)n1)c1ccccc1 ZINC000264168201 377959916 /nfs/dbraw/zinc/95/99/16/377959916.db2.gz VBXKVPLGLVXCAX-JTQLQIEISA-N -1 3 290.392 3.049 20 0 CGADHM COc1ccc(Cl)c(CN2CC[C@@H](C)C[C@@H]2C(=O)[O-])c1 ZINC000578369390 378063481 /nfs/dbraw/zinc/06/34/81/378063481.db2.gz IKVWMYKRMVAKCU-QMTHXVAHSA-N -1 3 297.782 3.034 20 0 CGADHM C[C@@H](NCc1ncccc1[O-])c1nc(C(C)(C)C)cs1 ZINC000578579212 378081963 /nfs/dbraw/zinc/08/19/63/378081963.db2.gz MUWIFZHNOFBSPK-SNVBAGLBSA-N -1 3 291.420 3.392 20 0 CGADHM Cc1ccoc1CNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000343568180 378023940 /nfs/dbraw/zinc/02/39/40/378023940.db2.gz ZIBUHKDYAFZYGB-UHFFFAOYSA-N -1 3 291.322 3.072 20 0 CGADHM Cc1ccc(F)c(CN(C)[C@H](CC(C)C)C(=O)[O-])c1 ZINC000577957708 378026213 /nfs/dbraw/zinc/02/62/13/378026213.db2.gz FCXBHFFUDAMLLN-CQSZACIVSA-N -1 3 267.344 3.065 20 0 CGADHM CCCCO[C@@H](C)C(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000345126541 378200386 /nfs/dbraw/zinc/20/03/86/378200386.db2.gz HQIOXTDATKTHEE-OLZOCXBDSA-N -1 3 291.391 3.438 20 0 CGADHM Cc1ccc([C@@H](C)N(C)Cc2ncccc2[O-])cc1 ZINC000579892071 378204701 /nfs/dbraw/zinc/20/47/01/378204701.db2.gz VHKXRLZCVQDFPF-CYBMUJFWSA-N -1 3 256.349 3.289 20 0 CGADHM CN(Cc1ccc(C(=O)[O-])cn1)[C@H]1CCCc2ccccc21 ZINC000579967491 378212737 /nfs/dbraw/zinc/21/27/37/378212737.db2.gz MKRJGQNOBMXNAV-KRWDZBQOSA-N -1 3 296.370 3.289 20 0 CGADHM CCS[C@H]1CC[C@@H](N(C)Cc2cc(C(=O)[O-])c(C)o2)C1 ZINC000579484559 378165383 /nfs/dbraw/zinc/16/53/83/378165383.db2.gz PTKYOQPMYVUNCL-YPMHNXCESA-N -1 3 297.420 3.392 20 0 CGADHM CC[C@H](C)n1ncc(C(=O)Nc2cccc([O-])c2F)c1C ZINC000582216035 378293369 /nfs/dbraw/zinc/29/33/69/378293369.db2.gz BYBFBUQVHXCKPJ-VIFPVBQESA-N -1 3 291.326 3.260 20 0 CGADHM CC[C@H]1CCCC[C@@H]1OCC(=O)Nc1nc(C)ccc1[O-] ZINC000345399557 378276093 /nfs/dbraw/zinc/27/60/93/378276093.db2.gz ACSMJLHHPZONRL-JSGCOSHPSA-N -1 3 292.379 3.020 20 0 CGADHM CCc1oc(C(=O)[O-])cc1CN1CC(C)(C)C[C@H]1C ZINC000582186929 378291487 /nfs/dbraw/zinc/29/14/87/378291487.db2.gz XROPMGDRACJXGT-SNVBAGLBSA-N -1 3 265.353 3.161 20 0 CGADHM O=C([O-])c1occc1CN1CCC[C@@H]1c1cccs1 ZINC000582246814 378297027 /nfs/dbraw/zinc/29/70/27/378297027.db2.gz RFGFIGIXUBOVGZ-LLVKDONJSA-N -1 3 277.345 3.376 20 0 CGADHM CC1=C(C(=O)Nc2ccc(Cl)cc2[O-])CCCO1 ZINC000270095484 378306175 /nfs/dbraw/zinc/30/61/75/378306175.db2.gz HTPGGDQSKRQZQF-UHFFFAOYSA-N -1 3 267.712 3.069 20 0 CGADHM C[C@H]1CC[C@H](C(=O)Nc2ccc(Cl)cc2[O-])C1 ZINC000345570739 378313344 /nfs/dbraw/zinc/31/33/44/378313344.db2.gz RVKFEPMITOMJBN-IUCAKERBSA-N -1 3 253.729 3.420 20 0 CGADHM CCSCC[C@@H](C)N(C)Cc1ccsc1C(=O)[O-] ZINC000583268678 378316377 /nfs/dbraw/zinc/31/63/77/378316377.db2.gz SBORUXUYHDFZAH-SNVBAGLBSA-N -1 3 287.450 3.410 20 0 CGADHM C[C@@H]1Cc2ccccc2CN1Cc1ccccc1C(=O)[O-] ZINC000583505011 378328347 /nfs/dbraw/zinc/32/83/47/378328347.db2.gz OFTILXJSRYQBPJ-CYBMUJFWSA-N -1 3 281.355 3.332 20 0 CGADHM CC1=CCN(C(=O)c2cc3c(cc2[O-])CCCC3)CC1 ZINC000270273883 378329383 /nfs/dbraw/zinc/32/93/83/378329383.db2.gz VHCPRHODPLOXOJ-UHFFFAOYSA-N -1 3 271.360 3.063 20 0 CGADHM O=C(/C=C/C1CC1)Nc1cc(Br)ccc1[O-] ZINC000270405396 378347505 /nfs/dbraw/zinc/34/75/05/378347505.db2.gz WOVLPXKWIFCKPC-ZZXKWVIFSA-N -1 3 282.137 3.059 20 0 CGADHM Cc1ccc([O-])c(NC(=O)CCc2cc(Cl)cs2)n1 ZINC000345921750 378409343 /nfs/dbraw/zinc/40/93/43/378409343.db2.gz DRWPIQMOQPPOLJ-UHFFFAOYSA-N -1 3 296.779 3.382 20 0 CGADHM CCc1cc(=O)[n-]c(CN2CCC[C@H](CC(C)C)C2)n1 ZINC000345857053 378388645 /nfs/dbraw/zinc/38/86/45/378388645.db2.gz AVVBGNBHXXGRJM-CYBMUJFWSA-N -1 3 277.412 3.003 20 0 CGADHM CC[C@@H](C(=O)Nc1nc(C)ccc1[O-])c1ccccc1 ZINC000345945141 378417350 /nfs/dbraw/zinc/41/73/50/378417350.db2.gz RZIBRJPVAQHBHX-CYBMUJFWSA-N -1 3 270.332 3.228 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2ccc(OCC3CC3)cc2)n1 ZINC000345999389 378435744 /nfs/dbraw/zinc/43/57/44/378435744.db2.gz VSIMLZMFGCHUQB-UHFFFAOYSA-N -1 3 298.342 3.137 20 0 CGADHM CC(C)c1coc([N-]C(=O)c2cc(C(C)C)no2)n1 ZINC000637638028 378550210 /nfs/dbraw/zinc/55/02/10/378550210.db2.gz SJMWPWWFXJVVCJ-UHFFFAOYSA-N -1 3 263.297 3.162 20 0 CGADHM CC(C)c1coc([N-]C(=O)c2ccc(Br)o2)n1 ZINC000637638566 378550521 /nfs/dbraw/zinc/55/05/21/378550521.db2.gz UZGUTWPVPFCKTH-UHFFFAOYSA-N -1 3 299.124 3.406 20 0 CGADHM O=C(c1cccc([O-])c1)N1CC2(CCC2)c2ccccc21 ZINC000368989010 284705593 /nfs/dbraw/zinc/70/55/93/284705593.db2.gz FIRWEUJFOWRQNZ-UHFFFAOYSA-N -1 3 279.339 3.474 20 0 CGADHM Cc1csc(C(C)(C)NC(=O)c2ccc([O-])c(C)c2)n1 ZINC000272362264 378620996 /nfs/dbraw/zinc/62/09/96/378620996.db2.gz CEZVARCIIDQZFP-UHFFFAOYSA-N -1 3 290.388 3.131 20 0 CGADHM C[C@@H]1CC(C)(C)CC[C@@H]1[N-]S(=O)(=O)c1cccs1 ZINC000484774322 296279565 /nfs/dbraw/zinc/27/95/65/296279565.db2.gz DGGHATGFJSKSEY-MNOVXSKESA-N -1 3 287.450 3.241 20 0 CGADHM O=C(c1cccc([O-])c1)N1CCC[C@@H]1c1ccsc1 ZINC000272531065 378659062 /nfs/dbraw/zinc/65/90/62/378659062.db2.gz AOVIUAHALRGXEK-CQSZACIVSA-N -1 3 273.357 3.431 20 0 CGADHM COc1ccc(NC(=O)[C@H]2CC[C@H](C)CC2)c([O-])c1 ZINC000566341586 322116785 /nfs/dbraw/zinc/11/67/85/322116785.db2.gz YFQWPZQAJYFSNV-XYPYZODXSA-N -1 3 263.337 3.166 20 0 CGADHM Cc1cc(C(=O)NC[C@@H](c2cccnc2)C(C)C)ccc1[O-] ZINC000272643388 378682594 /nfs/dbraw/zinc/68/25/94/378682594.db2.gz LXFWTIJTGLNGIA-MRXNPFEDSA-N -1 3 298.386 3.265 20 0 CGADHM CC[C@H]1C[C@H](Cc2nc(-c3ccc([O-])cc3)no2)CCO1 ZINC000272757307 378699053 /nfs/dbraw/zinc/69/90/53/378699053.db2.gz OXJQUOCBYCTRQV-RISCZKNCSA-N -1 3 288.347 3.190 20 0 CGADHM CCc1nc([C@H](C)NC(=O)c2ccc([O-])c(C)c2)cs1 ZINC000272467644 378644502 /nfs/dbraw/zinc/64/45/02/378644502.db2.gz PIOLDMFCWFKMSW-JTQLQIEISA-N -1 3 290.388 3.211 20 0 CGADHM CC[C@@H](NCc1cnc(C)[n-]c1=O)c1ccc(Cl)s1 ZINC000346810571 218022808 /nfs/dbraw/zinc/02/28/08/218022808.db2.gz RXSFJKIPOLKKKF-SNVBAGLBSA-N -1 3 297.811 3.446 20 0 CGADHM Cc1ccc(C(=O)N2CCCC3(CC3)C2)c([O-])c1C ZINC000274605902 378859920 /nfs/dbraw/zinc/85/99/20/378859920.db2.gz MLLCULBFGHYMPX-UHFFFAOYSA-N -1 3 259.349 3.025 20 0 CGADHM [O-]c1ccc(C(F)(F)F)c(-c2nc(-c3cocn3)no2)c1 ZINC000347111047 218125193 /nfs/dbraw/zinc/12/51/93/218125193.db2.gz JLTKSYOKJDLSNL-UHFFFAOYSA-N -1 3 297.192 3.116 20 0 CGADHM CC[C@H]1CCCN(C(=O)c2ccc([O-])c(OC)c2)CC1 ZINC000276907799 379019721 /nfs/dbraw/zinc/01/97/21/379019721.db2.gz KDOGQMKVHGKIKW-LBPRGKRZSA-N -1 3 277.364 3.053 20 0 CGADHM Cc1ccc([O-])c(CN[C@@H](c2cccs2)C2CC2)n1 ZINC000348719028 379033935 /nfs/dbraw/zinc/03/39/35/379033935.db2.gz SHPKILYSHJUVKY-OAHLLOKOSA-N -1 3 274.389 3.398 20 0 CGADHM Cc1oc([C@H](C)N2CC(C)(C)C[C@@H]2C)cc1C(=O)[O-] ZINC000568062599 322191237 /nfs/dbraw/zinc/19/12/37/322191237.db2.gz JBXJBGNFIADXLS-UWVGGRQHSA-N -1 3 265.353 3.468 20 0 CGADHM C[C@H](C(=O)[O-])[C@H](NCc1ccsc1)c1ccccc1 ZINC000277456653 379165015 /nfs/dbraw/zinc/16/50/15/379165015.db2.gz VHASZNBTWVBPMN-FZMZJTMJSA-N -1 3 275.373 3.300 20 0 CGADHM CC(C)(C)[C@@H](CC(=O)[O-])NCc1ccc(F)cc1Cl ZINC000277504465 379175703 /nfs/dbraw/zinc/17/57/03/379175703.db2.gz XUHMGFZDPLCALD-GFCCVEGCSA-N -1 3 287.762 3.458 20 0 CGADHM CC[C@@](C)(CNCc1cccc(Cl)c1F)C(=O)[O-] ZINC000278052558 379286849 /nfs/dbraw/zinc/28/68/49/379286849.db2.gz TYBDKNWVSIYBHB-ZDUSSCGKSA-N -1 3 273.735 3.070 20 0 CGADHM O=C(Nc1cccc(Cl)c1)c1c[n-]nc1-c1ccncc1 ZINC000349381018 379260643 /nfs/dbraw/zinc/26/06/43/379260643.db2.gz QIIJWXLWOJMSIB-UHFFFAOYSA-N -1 3 298.733 3.377 20 0 CGADHM O=C(Nc1cccc(Cl)c1)c1cn[n-]c1-c1ccncc1 ZINC000349381018 379260657 /nfs/dbraw/zinc/26/06/57/379260657.db2.gz QIIJWXLWOJMSIB-UHFFFAOYSA-N -1 3 298.733 3.377 20 0 CGADHM CCCSCc1nc(-c2ccc([O-])c(OCC)c2)no1 ZINC000278151159 379301910 /nfs/dbraw/zinc/30/19/10/379301910.db2.gz UUGIIOMNFBXYMH-UHFFFAOYSA-N -1 3 294.376 3.484 20 0 CGADHM Cc1ccc2[nH]c(CNCc3cc([O-])cc(F)c3)nc2c1 ZINC000349571045 379308406 /nfs/dbraw/zinc/30/84/06/379308406.db2.gz VKENPLKVPWYVTD-UHFFFAOYSA-N -1 3 285.322 3.006 20 0 CGADHM Cc1ccc2nc(CNCc3cc([O-])cc(F)c3)[nH]c2c1 ZINC000349571045 379308416 /nfs/dbraw/zinc/30/84/16/379308416.db2.gz VKENPLKVPWYVTD-UHFFFAOYSA-N -1 3 285.322 3.006 20 0 CGADHM Cc1nc2c(cccc2-c2noc(-c3ccccc3[O-])n2)[nH]1 ZINC000350563803 379561342 /nfs/dbraw/zinc/56/13/42/379561342.db2.gz BUTGISFWZGCNLA-UHFFFAOYSA-N -1 3 292.298 3.294 20 0 CGADHM CC(C)c1cnc(NC(=O)c2cc(C(F)F)[n-]n2)s1 ZINC000639845072 379609512 /nfs/dbraw/zinc/60/95/12/379609512.db2.gz FTYCFJZKQQSAJS-UHFFFAOYSA-N -1 3 286.307 3.180 20 0 CGADHM CC(C)OCCS(=O)(=O)[N-]c1ccc2ccccc2c1 ZINC000267139616 190306074 /nfs/dbraw/zinc/30/60/74/190306074.db2.gz HVSQOKACKLMGLL-UHFFFAOYSA-N -1 3 293.388 3.007 20 0 CGADHM Cc1n[nH]cc1CN(C)Cc1cc([O-])cc(C(F)(F)F)c1 ZINC000639971552 379668879 /nfs/dbraw/zinc/66/88/79/379668879.db2.gz FYCRACLMZODZOD-UHFFFAOYSA-N -1 3 299.296 3.075 20 0 CGADHM CC(C)(CC(=O)NCc1ccc([O-])c(F)c1)C(F)(F)F ZINC000280834299 379803581 /nfs/dbraw/zinc/80/35/81/379803581.db2.gz ZLOGYWORJGZKAI-UHFFFAOYSA-N -1 3 293.260 3.126 20 0 CGADHM CC1=CCCN(C(=O)c2cc3c(cc2[O-])CCCC3)C1 ZINC000280671755 379760270 /nfs/dbraw/zinc/76/02/70/379760270.db2.gz MGJLKUNPUABLIA-UHFFFAOYSA-N -1 3 271.360 3.063 20 0 CGADHM O=C(NCc1ncccc1[O-])c1cc(Cl)cc(Cl)c1 ZINC000352511826 379841687 /nfs/dbraw/zinc/84/16/87/379841687.db2.gz ZXKYHFZJJWXAKM-UHFFFAOYSA-N -1 3 297.141 3.024 20 0 CGADHM C[C@H](Cc1cccc(O)c1)NCc1c(F)ccc([O-])c1F ZINC000352442739 379816395 /nfs/dbraw/zinc/81/63/95/379816395.db2.gz WNWVVTVQQUDQNV-SNVBAGLBSA-N -1 3 293.313 3.097 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)[C@@H](C)C(C)C)c1-c1cccc(F)c1 ZINC000640945347 379884417 /nfs/dbraw/zinc/88/44/17/379884417.db2.gz BMGUIEDOKGSENT-JTQLQIEISA-N -1 3 289.354 3.177 20 0 CGADHM COc1ccc(C)cc1CC(=O)Nc1c(C)cccc1[O-] ZINC000352647848 379890484 /nfs/dbraw/zinc/89/04/84/379890484.db2.gz ZPFWUMPEOWRMPY-UHFFFAOYSA-N -1 3 285.343 3.199 20 0 CGADHM Cc1cc(C(=O)NC[C@@H]2CCCC(F)(F)C2)ccc1[O-] ZINC000282294193 379891330 /nfs/dbraw/zinc/89/13/30/379891330.db2.gz RUQVFXDCMJHHJD-LLVKDONJSA-N -1 3 283.318 3.256 20 0 CGADHM CSCC(C)(C)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000282289865 379891606 /nfs/dbraw/zinc/89/16/06/379891606.db2.gz FKMWTVLDHYHQDH-UHFFFAOYSA-N -1 3 273.785 3.373 20 0 CGADHM CCC(C)(C)CC(=O)N1CCCc2cccc([O-])c21 ZINC000352666247 379902444 /nfs/dbraw/zinc/90/24/44/379902444.db2.gz UTWABXKVVFZBDP-UHFFFAOYSA-N -1 3 261.365 3.498 20 0 CGADHM CC[C@@]1(C)CCN([C@@H](C)c2ccc(C(=O)[O-])o2)C1 ZINC000399290221 379938955 /nfs/dbraw/zinc/93/89/55/379938955.db2.gz GSYYAETYEYFQOX-HZMBPMFUSA-N -1 3 251.326 3.161 20 0 CGADHM Cc1scc(CNCc2ccc(C(=O)[O-])cc2)c1C ZINC000399816123 379945543 /nfs/dbraw/zinc/94/55/43/379945543.db2.gz QCGHNKBIHBWFBI-UHFFFAOYSA-N -1 3 275.373 3.353 20 0 CGADHM CCC(F)(F)CSc1n[n-]c(-c2ccccn2)n1 ZINC000641453446 380007832 /nfs/dbraw/zinc/00/78/32/380007832.db2.gz UVODBNKHGLRISU-UHFFFAOYSA-N -1 3 270.308 3.004 20 0 CGADHM [O-]c1cc(CNC2(C(F)F)CC2)cc(C(F)(F)F)c1 ZINC000352862030 380009581 /nfs/dbraw/zinc/00/95/81/380009581.db2.gz LPXLWZRXRFECOE-UHFFFAOYSA-N -1 3 281.224 3.298 20 0 CGADHM [O-]c1ccc(F)c(CN2CC[C@H]3CCC[C@@H]32)c1F ZINC000352990254 380066774 /nfs/dbraw/zinc/06/67/74/380066774.db2.gz TTZBPBBNKFYUCD-SKDRFNHKSA-N -1 3 253.292 3.045 20 0 CGADHM CC(C)c1cnc([N-]C(=O)c2nnc(C(C)C)s2)s1 ZINC000283609052 380076778 /nfs/dbraw/zinc/07/67/78/380076778.db2.gz YWAGMQMCIGLZIA-UHFFFAOYSA-N -1 3 296.421 3.494 20 0 CGADHM Cc1noc(C)c1C(C)(C)NCc1cc([O-])cc(F)c1 ZINC000353114179 380121966 /nfs/dbraw/zinc/12/19/66/380121966.db2.gz BDFNSCYVWHINJR-UHFFFAOYSA-N -1 3 278.327 3.161 20 0 CGADHM [O-]c1coc2cc(OCc3cc(-c4ccco4)on3)ccc12 ZINC000642608895 380179638 /nfs/dbraw/zinc/17/96/38/380179638.db2.gz SLOJAYTWQJDEGB-UHFFFAOYSA-N -1 3 297.266 3.089 20 0 CGADHM Cc1ccc(-c2nnc(NC(=O)C(C)(C)CC(C)C)[n-]2)o1 ZINC000353477269 380208311 /nfs/dbraw/zinc/20/83/11/380208311.db2.gz NEJXHAPAMFDPAT-UHFFFAOYSA-N -1 3 290.367 3.384 20 0 CGADHM Cc1ccc(-c2n[n-]c(NC(=O)C(C)(C)CC(C)C)n2)o1 ZINC000353477269 380208317 /nfs/dbraw/zinc/20/83/17/380208317.db2.gz NEJXHAPAMFDPAT-UHFFFAOYSA-N -1 3 290.367 3.384 20 0 CGADHM Cc1ccc(-c2nc(NC(=O)C(C)(C)CC(C)C)n[n-]2)o1 ZINC000353477269 380208321 /nfs/dbraw/zinc/20/83/21/380208321.db2.gz NEJXHAPAMFDPAT-UHFFFAOYSA-N -1 3 290.367 3.384 20 0 CGADHM CCOc1nc2ccc(-c3nc([C@@H]4C[C@@H]4C)no3)cc2[n-]1 ZINC000643107695 380213850 /nfs/dbraw/zinc/21/38/50/380213850.db2.gz OGCZOLNXCBWAKD-WCBMZHEXSA-N -1 3 284.319 3.135 20 0 CGADHM CC(C)CC1(c2nc(-c3ccc4n[n-]nc4c3)no2)CCC1 ZINC000643894952 380392349 /nfs/dbraw/zinc/39/23/49/380392349.db2.gz MFBOLBULDSJOLK-UHFFFAOYSA-N -1 3 297.362 3.476 20 0 CGADHM Cc1cccc2c1OCC[C@H]2NCc1cccc(C(=O)[O-])c1 ZINC000414639686 380350824 /nfs/dbraw/zinc/35/08/24/380350824.db2.gz QHRXILBZRUCRGH-MRXNPFEDSA-N -1 3 297.354 3.307 20 0 CGADHM CCc1cc(C(=O)N[C@H]2C[C@]2(C)c2ccccc2)ccc1[O-] ZINC000643999081 380407050 /nfs/dbraw/zinc/40/70/50/380407050.db2.gz ODAKSOJNHFKKJK-PKOBYXMFSA-N -1 3 295.382 3.415 20 0 CGADHM COc1ccc([O-])c(C(=O)NCc2coc3ccccc23)c1 ZINC000354483461 380456438 /nfs/dbraw/zinc/45/64/38/380456438.db2.gz BKHHDFQPNNIHFI-UHFFFAOYSA-N -1 3 297.310 3.077 20 0 CGADHM O=C(NCCC1(F)CCC1)c1cc([O-])ccc1Cl ZINC000354723429 380539182 /nfs/dbraw/zinc/53/91/82/380539182.db2.gz RMJCIVVFCJBUSR-UHFFFAOYSA-N -1 3 271.719 3.058 20 0 CGADHM CCc1cnc(CN[C@@H]2CCCCCC[C@@H]2C(=O)[O-])s1 ZINC000417567595 380639676 /nfs/dbraw/zinc/63/96/76/380639676.db2.gz SOLVSPDQSQODRJ-QWHCGFSZSA-N -1 3 296.436 3.219 20 0 CGADHM Cc1cc(F)ccc1-c1ccc(CNC[C@@H](C)C(=O)[O-])o1 ZINC000417590932 380645205 /nfs/dbraw/zinc/64/52/05/380645205.db2.gz WVAPTTYTFNEMHR-LLVKDONJSA-N -1 3 291.322 3.204 20 0 CGADHM CCCc1csc(CN[C@H](CC(=O)[O-])CC(C)(C)C)n1 ZINC000417590553 380645492 /nfs/dbraw/zinc/64/54/92/380645492.db2.gz RJUXYMXNCIBZTD-GFCCVEGCSA-N -1 3 298.452 3.465 20 0 CGADHM C[C@@](O)(CNCc1cccc([O-])c1Cl)C1CCCCC1 ZINC000645177212 380606299 /nfs/dbraw/zinc/60/62/99/380606299.db2.gz ILVRFGDKMSNSPX-MRXNPFEDSA-N -1 3 297.826 3.467 20 0 CGADHM Cc1cccc2cc(S(=O)(=O)[N-][C@H](C)C3CC3)sc21 ZINC000645441645 380680469 /nfs/dbraw/zinc/68/04/69/380680469.db2.gz HEWRGUZEVVQAME-SNVBAGLBSA-N -1 3 295.429 3.287 20 0 CGADHM Cc1ccc([O-])c(NC(=O)C[C@H]2C[C@@H]2c2ccccc2)n1 ZINC000355512978 380694278 /nfs/dbraw/zinc/69/42/78/380694278.db2.gz YXKSJLQABANLGB-ZIAGYGMSSA-N -1 3 282.343 3.228 20 0 CGADHM Cc1cc(F)c(CN[C@H](CC2CC2)C(=O)[O-])c(Cl)c1 ZINC000417614231 380651444 /nfs/dbraw/zinc/65/14/44/380651444.db2.gz BADIGACXYZVHCR-CYBMUJFWSA-N -1 3 285.746 3.130 20 0 CGADHM CCCc1nc(C)c(C(=O)[N-]c2cnccc2SC)o1 ZINC000645720146 380716972 /nfs/dbraw/zinc/71/69/72/380716972.db2.gz WLOMZXMNXUXSMO-UHFFFAOYSA-N -1 3 291.376 3.305 20 0 CGADHM CC(C)(C)c1cnc(NC(=O)c2cccc([O-])c2)s1 ZINC000357356688 381123183 /nfs/dbraw/zinc/12/31/83/381123183.db2.gz PEUKURYCMYCEMN-UHFFFAOYSA-N -1 3 276.361 3.399 20 0 CGADHM O=C(c1cccc([O-])c1)N1CCC[C@@H](Cc2ccccc2)C1 ZINC000357428432 381155629 /nfs/dbraw/zinc/15/56/29/381155629.db2.gz HLKBEEBLCDCTOB-INIZCTEOSA-N -1 3 295.382 3.487 20 0 CGADHM Cc1c(NC(=O)c2cccc([O-])c2)cnn1-c1ccccc1 ZINC000357440036 381160062 /nfs/dbraw/zinc/16/00/62/381160062.db2.gz LJZUDGCCMSYCHX-UHFFFAOYSA-N -1 3 293.326 3.139 20 0 CGADHM COc1cc(C(=O)N[C@@H]2c3ccccc3C[C@@H]2C)ccc1[O-] ZINC000362390313 381970544 /nfs/dbraw/zinc/97/05/44/381970544.db2.gz HEFIXTJDXMGDOP-GTNSWQLSSA-N -1 3 297.354 3.064 20 0 CGADHM C[C@H](CC(=O)[O-])NCc1ccc(-c2cccc(F)c2F)o1 ZINC000362347055 381951989 /nfs/dbraw/zinc/95/19/89/381951989.db2.gz QHIHMPVOBQMIOB-SECBINFHSA-N -1 3 295.285 3.178 20 0 CGADHM CCc1cc(C(=O)N(Cc2cccnc2)C(C)C)ccc1[O-] ZINC000362573433 382062085 /nfs/dbraw/zinc/06/20/85/382062085.db2.gz SIOOGXBPIXYQSN-UHFFFAOYSA-N -1 3 298.386 3.400 20 0 CGADHM Cc1nc([N-]C(=O)c2nnc(C(C)(C)C)s2)sc1C ZINC000280976022 195055070 /nfs/dbraw/zinc/05/50/70/195055070.db2.gz OZMGKJUAJVBTBS-UHFFFAOYSA-N -1 3 296.421 3.161 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)Cc2ncccc2F)c1[O-] ZINC000335259433 208047342 /nfs/dbraw/zinc/04/73/42/208047342.db2.gz YNFWABFHKMPSRR-UHFFFAOYSA-N -1 3 294.713 3.069 20 0 CGADHM Cc1ccc(CCC(=O)[N-]OCc2ccccc2)s1 ZINC000289421865 197338601 /nfs/dbraw/zinc/33/86/01/197338601.db2.gz QQUBZNULVCZCBK-UHFFFAOYSA-N -1 3 275.373 3.237 20 0 CGADHM C[C@@H]1CCCN1C(=O)c1cc([O-])c2ccccc2c1 ZINC000280174812 542381091 /nfs/dbraw/zinc/38/10/91/542381091.db2.gz COTMZPGYGFYALY-LLVKDONJSA-N -1 3 255.317 3.170 20 0 CGADHM CC[C@@H]1CO[C@@H](C)CN1C(=O)c1cc([O-])c2ccccc2c1 ZINC000280190809 542381321 /nfs/dbraw/zinc/38/13/21/542381321.db2.gz DJBUIKALVBAREZ-SWLSCSKDSA-N -1 3 299.370 3.185 20 0 CGADHM CO[C@H]1CCN(C(=O)c2cc([O-])c3ccccc3c2)[C@H](C)C1 ZINC000281876251 542384907 /nfs/dbraw/zinc/38/49/07/542384907.db2.gz WWNHKUVUIMBAMB-DOMZBBRYSA-N -1 3 299.370 3.185 20 0 CGADHM CCC[C@]1(NC(=O)c2cc([O-])c3ccccc3c2)CCOC1 ZINC000287747407 542396568 /nfs/dbraw/zinc/39/65/68/542396568.db2.gz GPIGFFWNNGFYAV-SFHVURJKSA-N -1 3 299.370 3.234 20 0 CGADHM Cc1cc(C(=O)Nc2ccc(-n3ccnc3)cc2)ccc1[O-] ZINC000353869745 220379709 /nfs/dbraw/zinc/37/97/09/220379709.db2.gz JPFOHDRQFYQIMC-UHFFFAOYSA-N -1 3 293.326 3.139 20 0 CGADHM CC(C)C[C@H](C)CN1Cc2ccc(C(=O)[O-])cc2C1 ZINC000302357278 572516290 /nfs/dbraw/zinc/51/62/90/572516290.db2.gz NLNVUFFDXLPFRF-LBPRGKRZSA-N -1 3 261.365 3.383 20 0 CGADHM C[C@@H]1SCC[C@@H]1NCc1cccc([O-])c1Cl ZINC000328196894 542442988 /nfs/dbraw/zinc/44/29/88/542442988.db2.gz FDJPEHXIPQPQSY-WPRPVWTQSA-N -1 3 257.786 3.029 20 0 CGADHM Cc1cccc([O-])c1NC(=O)COC1CCC(C)CC1 ZINC000281236072 195161225 /nfs/dbraw/zinc/16/12/25/195161225.db2.gz PCRQWWGQUDVFPI-UHFFFAOYSA-N -1 3 277.364 3.234 20 0 CGADHM Cc1cscc1-c1nc2ccc(O)cc2c(=O)[n-]1 ZINC000351862724 542551932 /nfs/dbraw/zinc/55/19/32/542551932.db2.gz QAQBNNMSFRPXOW-UHFFFAOYSA-N -1 3 258.302 3.078 20 0 CGADHM O=C(NC[C@H]1CCCS1)c1cc([O-])c2ccccc2c1 ZINC000355033334 542564733 /nfs/dbraw/zinc/56/47/33/542564733.db2.gz DIZJSEKVZKAEIX-CYBMUJFWSA-N -1 3 287.384 3.171 20 0 CGADHM C[C@@H](C[C@@H]1CCCO1)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000353895086 542561212 /nfs/dbraw/zinc/56/12/12/542561212.db2.gz DFQGVGGXAJWHHK-WFASDCNBSA-N -1 3 299.370 3.233 20 0 CGADHM COc1ccc(NC(=O)c2cc[nH]c2C(C)C)c([O-])c1 ZINC000355011051 542564849 /nfs/dbraw/zinc/56/48/49/542564849.db2.gz LJFMOXXMACMILJ-UHFFFAOYSA-N -1 3 274.320 3.105 20 0 CGADHM Cc1cccc(-c2noc(-c3cc(-c4ccco4)n[n-]3)n2)n1 ZINC000356213003 542570891 /nfs/dbraw/zinc/57/08/91/542570891.db2.gz HTJWLJZEXNCAOR-UHFFFAOYSA-N -1 3 293.286 3.090 20 0 CGADHM Cc1cccc(-c2noc(-c3cc(-c4ccco4)[n-]n3)n2)n1 ZINC000356213003 542570895 /nfs/dbraw/zinc/57/08/95/542570895.db2.gz HTJWLJZEXNCAOR-UHFFFAOYSA-N -1 3 293.286 3.090 20 0 CGADHM COc1cccc(C(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)c1[O-] ZINC000436563589 533415195 /nfs/dbraw/zinc/41/51/95/533415195.db2.gz HTAYNQMWDCEOEF-YNEHKIRRSA-N -1 3 289.375 3.099 20 0 CGADHM C[C@@H]([N-]S(=O)(=O)c1ccoc1)c1ccc(Cl)s1 ZINC000336032432 533487553 /nfs/dbraw/zinc/48/75/53/533487553.db2.gz SSFYUXRKQQSCSQ-SSDOTTSWSA-N -1 3 291.781 3.034 20 0 CGADHM Cc1ccc(C(=O)Nc2cccc3c2OCCO3)c([O-])c1C ZINC000436559185 533614558 /nfs/dbraw/zinc/61/45/58/533614558.db2.gz YWHAEPDHICJCNA-UHFFFAOYSA-N -1 3 299.326 3.033 20 0 CGADHM Cc1ccc(C(=O)Nc2ccnn2[C@@H](C)C2CC2)c([O-])c1 ZINC000193124690 533618506 /nfs/dbraw/zinc/61/85/06/533618506.db2.gz XZJUTDOHNZYGSJ-NSHDSACASA-N -1 3 285.347 3.120 20 0 CGADHM C[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000026874867 391951274 /nfs/dbraw/zinc/95/12/74/391951274.db2.gz MQJMDSYNTSNIOK-BDAKNGLRSA-N -1 3 293.841 3.259 20 0 CGADHM COc1ccc([O-])c(C(=O)N[C@H](C)CCCC(C)C)c1 ZINC000051770410 392074409 /nfs/dbraw/zinc/07/44/09/392074409.db2.gz BVPBNZYMYIOKSW-GFCCVEGCSA-N -1 3 279.380 3.345 20 0 CGADHM CCOc1ccc(NC(=O)c2cc(OC)ccc2[O-])cc1 ZINC000050107491 392062660 /nfs/dbraw/zinc/06/26/60/392062660.db2.gz ZCEPLJJRSMVIPY-UHFFFAOYSA-N -1 3 287.315 3.052 20 0 CGADHM Cc1ccc(CC(=O)Nc2ccc([O-])cc2F)cc1C ZINC000070333074 392181254 /nfs/dbraw/zinc/18/12/54/392181254.db2.gz VDMYUDZFYSFRRY-UHFFFAOYSA-N -1 3 273.307 3.329 20 0 CGADHM CC[C@@H](C)[C@@H](C)N(C(=O)c1ccc(O)cc1[O-])C1CC1 ZINC000105380731 392287729 /nfs/dbraw/zinc/28/77/29/392287729.db2.gz PSTIHJMCELLCLL-GHMZBOCLSA-N -1 3 277.364 3.137 20 0 CGADHM CCO[N-]C(=O)[C@H]1C[C@@H]1c1cccc2ccccc21 ZINC000107572107 392325760 /nfs/dbraw/zinc/32/57/60/392325760.db2.gz QULNUFYTQSUCRR-CABCVRRESA-N -1 3 255.317 3.011 20 0 CGADHM C[C@]1(c2ccccc2)CCN(C(=O)c2cccc([O-])c2)C1 ZINC000371583711 392538415 /nfs/dbraw/zinc/53/84/15/392538415.db2.gz ZZYDCGBMDGSJDX-SFHVURJKSA-N -1 3 281.355 3.196 20 0 CGADHM O=C([O-])c1ccoc1CN1CCC(Cc2ccccc2)CC1 ZINC000314238632 392668132 /nfs/dbraw/zinc/66/81/32/392668132.db2.gz OVZCIRVYFLNLGL-UHFFFAOYSA-N -1 3 299.370 3.433 20 0 CGADHM CCc1cccc(C)c1NC(=O)/C=C/c1cncc([O-])c1 ZINC000181910738 392737208 /nfs/dbraw/zinc/73/72/08/392737208.db2.gz IEJIOGDZOIVUSL-BQYQJAHWSA-N -1 3 282.343 3.310 20 0 CGADHM CC[C@H]1C[C@H](NC(=O)c2cc([O-])c3ccccc3c2)CCO1 ZINC000335070124 392769293 /nfs/dbraw/zinc/76/92/93/392769293.db2.gz UDGFUJDLTSLUQI-CABCVRRESA-N -1 3 299.370 3.233 20 0 CGADHM CO[C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1[O-])C(C)C ZINC000506252900 392716760 /nfs/dbraw/zinc/71/67/60/392716760.db2.gz IJODYVBIIQFTPO-CQSZACIVSA-N -1 3 279.380 3.299 20 0 CGADHM CC(C)CCCCC(=O)NCc1ccc([O-])c(F)c1 ZINC000457651763 392718462 /nfs/dbraw/zinc/71/84/62/392718462.db2.gz AIABJPXXDURXQK-UHFFFAOYSA-N -1 3 267.344 3.364 20 0 CGADHM CCc1cc(C(=O)NC[C@@H]2C[C@H]2c2ccccc2)ccc1[O-] ZINC000509966868 392778277 /nfs/dbraw/zinc/77/82/77/392778277.db2.gz AUXVDXICTLOLET-IRXDYDNUSA-N -1 3 295.382 3.488 20 0 CGADHM CC[C@H](SC)C(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000186342334 392782264 /nfs/dbraw/zinc/78/22/64/392782264.db2.gz FTFJOGPADDDYRO-GWCFXTLKSA-N -1 3 279.405 3.374 20 0 CGADHM CCc1ccccc1CC(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000647800328 392801917 /nfs/dbraw/zinc/80/19/17/392801917.db2.gz WSAYXGIKXSLNHC-UHFFFAOYSA-N -1 3 295.342 3.012 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2cccc(C3CC3)c2)n1 ZINC000519830893 392895160 /nfs/dbraw/zinc/89/51/60/392895160.db2.gz BEZLWSZUQUREOV-UHFFFAOYSA-N -1 3 268.316 3.225 20 0 CGADHM Cc1sc(C(=O)[O-])cc1CN1CCCO[C@H](C(C)C)C1 ZINC000381161122 392905625 /nfs/dbraw/zinc/90/56/25/392905625.db2.gz VUXZZBSOWFIDCX-ZDUSSCGKSA-N -1 3 297.420 3.002 20 0 CGADHM C[C@@H]1CCC[C@H](NC(=O)c2c[n-]nc2-c2ccccn2)[C@H]1C ZINC000517211090 392868295 /nfs/dbraw/zinc/86/82/95/392868295.db2.gz JKIWTKSDEJRMDO-DYEKYZERSA-N -1 3 298.390 3.026 20 0 CGADHM C[C@H]1C[C@H](c2nc3cccnc3c(=O)[n-]2)C[C@@H](C)C1 ZINC000491571538 542717756 /nfs/dbraw/zinc/71/77/56/542717756.db2.gz FKWNEJFSIJYSKS-URLYPYJESA-N -1 3 257.337 3.270 20 0 CGADHM CCc1ccc(C(=O)N2CCc3ccccc3CC2)c([O-])c1 ZINC000526054033 542740668 /nfs/dbraw/zinc/74/06/68/542740668.db2.gz GKPBSFFFZNZXNL-UHFFFAOYSA-N -1 3 295.382 3.196 20 0 CGADHM Cc1cc(C)nc(NC(=O)c2cc([O-])ccc2Cl)c1 ZINC000235833751 393030572 /nfs/dbraw/zinc/03/05/72/393030572.db2.gz JKLXQLVAFPINOD-UHFFFAOYSA-N -1 3 276.723 3.310 20 0 CGADHM CCc1cccc(-c2nc(C3(OC)CCCC3)no2)c1[O-] ZINC000545889040 393012072 /nfs/dbraw/zinc/01/20/72/393012072.db2.gz CMOTUXPPQZBGHI-UHFFFAOYSA-N -1 3 288.347 3.420 20 0 CGADHM Cc1nc([N-]C(=O)c2cc(-c3cccs3)on2)cs1 ZINC000344713808 393047442 /nfs/dbraw/zinc/04/74/42/393047442.db2.gz SQXRZZGZLVNJGO-UHFFFAOYSA-N -1 3 291.357 3.420 20 0 CGADHM CC(C)C[C@H](C)NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000468846694 393164630 /nfs/dbraw/zinc/16/46/30/393164630.db2.gz GMAXFHYVYADSKT-LBPRGKRZSA-N -1 3 281.371 3.405 20 0 CGADHM CC(C)C[C@@H](NC(=O)c1csc(=O)[n-]1)c1cccs1 ZINC000471801280 393306870 /nfs/dbraw/zinc/30/68/70/393306870.db2.gz VVVNNKUZYDQHHW-SECBINFHSA-N -1 3 296.417 3.427 20 0 CGADHM CC[C@@H](C)[C@H](NC(=O)c1cccc([O-])c1)C(F)(F)F ZINC000278261482 393318223 /nfs/dbraw/zinc/31/82/23/393318223.db2.gz YEBQBMXFYLPOCX-KCJUWKMLSA-N -1 3 275.270 3.099 20 0 CGADHM O=C(NC[C@H]1CC=CCC1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000646768697 393321179 /nfs/dbraw/zinc/32/11/79/393321179.db2.gz PNQVMTMQZAEFLY-JTQLQIEISA-N -1 3 299.292 3.497 20 0 CGADHM Cc1nc(C)c([N-]C(=O)c2ncoc2C(F)(F)F)s1 ZINC000646900502 393328291 /nfs/dbraw/zinc/32/82/91/393328291.db2.gz YIWABGZWVVPUSU-UHFFFAOYSA-N -1 3 291.254 3.019 20 0 CGADHM COc1ccc(C)cc1CN=c1[n-]c(C(C)=O)c(C)s1 ZINC000649241011 393384334 /nfs/dbraw/zinc/38/43/34/393384334.db2.gz GBIUCCKLDRWKGK-UHFFFAOYSA-N -1 3 290.388 3.005 20 0 CGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C3=CCC3)c2)n1 ZINC000355697945 393336355 /nfs/dbraw/zinc/33/63/55/393336355.db2.gz DTTDGAWRMJDFHY-UHFFFAOYSA-N -1 3 295.342 3.070 20 0 CGADHM Cc1nc(CSCc2cc(=O)[n-]c(C3CC3)n2)cs1 ZINC000419397762 393371577 /nfs/dbraw/zinc/37/15/77/393371577.db2.gz FYXYAPPHTUPHIQ-UHFFFAOYSA-N -1 3 293.417 3.258 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@H]1CCCC[C@H]1C1CC1 ZINC000649228617 393376252 /nfs/dbraw/zinc/37/62/52/393376252.db2.gz WLTKTZQNBAAZKW-KBPBESRZSA-N -1 3 289.423 3.418 20 0 CGADHM CCCC(C)(C)[N-]S(=O)(=O)c1cc(F)c(C)cc1F ZINC000475745199 393416600 /nfs/dbraw/zinc/41/66/00/393416600.db2.gz GMVMIXBXMGGBKV-UHFFFAOYSA-N -1 3 291.363 3.130 20 0 CGADHM CCCC1(C(=O)Nc2ccc(C(=O)OCC)cc2[O-])CC1 ZINC000356288956 393409142 /nfs/dbraw/zinc/40/91/42/393409142.db2.gz CWMJCUXIKIJLNP-UHFFFAOYSA-N -1 3 291.347 3.088 20 0 CGADHM Cc1cc(CN(C)Cc2ccc([O-])c3nc(C)ccc23)no1 ZINC000429709605 393495616 /nfs/dbraw/zinc/49/56/16/393495616.db2.gz RAIAPQLYXNBNMF-UHFFFAOYSA-N -1 3 297.358 3.177 20 0 CGADHM CCc1ccccc1S(=O)(=O)[N-]c1c(C)cccc1F ZINC000488453733 393520907 /nfs/dbraw/zinc/52/09/07/393520907.db2.gz BCLKYFAGSZMTMA-UHFFFAOYSA-N -1 3 293.363 3.497 20 0 CGADHM CC(C)[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cccs1 ZINC000488798621 393556271 /nfs/dbraw/zinc/55/62/71/393556271.db2.gz VIPPAPPPFMFLFX-RYUDHWBXSA-N -1 3 287.450 3.241 20 0 CGADHM Cc1ccc([O-])c(C(=O)N(C)Cc2ccc(F)cc2C)c1 ZINC000489416278 393596244 /nfs/dbraw/zinc/59/62/44/393596244.db2.gz VPLUBQPSYISGRP-UHFFFAOYSA-N -1 3 287.334 3.420 20 0 CGADHM CC(C)(C)C(C)(C)CNC(=O)NCc1ccc([O-])c(F)c1 ZINC000432607090 393623321 /nfs/dbraw/zinc/62/33/21/393623321.db2.gz LNFGNUVMENEYOS-UHFFFAOYSA-N -1 3 296.386 3.403 20 0 CGADHM C/C=C/C=C\C(=O)Nc1ccc(Br)cc1[O-] ZINC000490732135 393654242 /nfs/dbraw/zinc/65/42/42/393654242.db2.gz GPQHDFLKXZTMSY-IAROGAJJSA-N -1 3 282.137 3.226 20 0 CGADHM O=C(/C=C\c1cncc([O-])c1)Nc1nccc2sccc21 ZINC000492630015 393764897 /nfs/dbraw/zinc/76/48/97/393764897.db2.gz HKDJGTBTNCFBAN-UPHRSURJSA-N -1 3 297.339 3.049 20 0 CGADHM Cc1cc(C(=O)NCC2(C)Cc3ccccc3C2)ccc1[O-] ZINC000500030794 393814271 /nfs/dbraw/zinc/81/42/71/393814271.db2.gz QDZNVVYLDYXPGI-UHFFFAOYSA-N -1 3 295.382 3.236 20 0 CGADHM CCc1ccc([O-])c(C(=O)NCc2ccc(C)cc2)c1 ZINC000500413058 393826584 /nfs/dbraw/zinc/82/65/84/393826584.db2.gz GASNTRZKHBIWFA-UHFFFAOYSA-N -1 3 269.344 3.193 20 0 CGADHM CC(=O)c1ccc(C(=O)N([C@H](C)C(C)C)C2CC2)cc1[O-] ZINC000667135291 542846422 /nfs/dbraw/zinc/84/64/22/542846422.db2.gz WLZAUHXGTZTVFR-LLVKDONJSA-N -1 3 289.375 3.244 20 0 CGADHM CC[C@H](C)C[C@@H](C)NC(=O)Cc1ccc([O-])c(F)c1 ZINC000449967636 393952906 /nfs/dbraw/zinc/95/29/06/393952906.db2.gz LUPHCOQUYKLNSM-WDEREUQCSA-N -1 3 267.344 3.015 20 0 CGADHM CC[C@H]1CCC[C@@H]1C(=O)Nc1nnc(-c2ccc(C)o2)[n-]1 ZINC000450144055 393984956 /nfs/dbraw/zinc/98/49/56/393984956.db2.gz YWFPPESMZJYGHC-QWRGUYRKSA-N -1 3 288.351 3.138 20 0 CGADHM CC[C@H]1CCC[C@@H]1C(=O)Nc1nc(-c2ccc(C)o2)n[n-]1 ZINC000450144055 393984958 /nfs/dbraw/zinc/98/49/58/393984958.db2.gz YWFPPESMZJYGHC-QWRGUYRKSA-N -1 3 288.351 3.138 20 0 CGADHM CC[C@H]1CCC[C@@H]1C(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC000450144055 393984959 /nfs/dbraw/zinc/98/49/59/393984959.db2.gz YWFPPESMZJYGHC-QWRGUYRKSA-N -1 3 288.351 3.138 20 0 CGADHM CC(=O)c1[n-]c(=NCc2cscc2C)sc1C ZINC000450483687 394000740 /nfs/dbraw/zinc/00/07/40/394000740.db2.gz JZCRZDMFXLFXOY-UHFFFAOYSA-N -1 3 266.391 3.058 20 0 CGADHM CCc1ccc([O-])c(C(=O)NCC(C)(C)c2ccccn2)c1 ZINC000452389900 394052354 /nfs/dbraw/zinc/05/23/54/394052354.db2.gz JXPACQMLBHQCNT-UHFFFAOYSA-N -1 3 298.386 3.057 20 0 CGADHM CC(C)C[C@@]1(C)CCCN1C(=O)c1ccccc1[O-] ZINC000452516328 394075917 /nfs/dbraw/zinc/07/59/17/394075917.db2.gz WQDWNBHBVLNDSC-MRXNPFEDSA-N -1 3 261.365 3.433 20 0 CGADHM CC(C)C[C@@]1(C)CCCN1C(=O)c1cccc([O-])c1 ZINC000452981623 394140976 /nfs/dbraw/zinc/14/09/76/394140976.db2.gz FPPHEULZSKMSBD-MRXNPFEDSA-N -1 3 261.365 3.433 20 0 CGADHM CC1(C)Cc2ccsc2CN1C(=O)c1ccccc1[O-] ZINC000457332044 394346315 /nfs/dbraw/zinc/34/63/15/394346315.db2.gz RSTNPTJJHXBDIX-UHFFFAOYSA-N -1 3 287.384 3.431 20 0 CGADHM Cc1ccc(C(=O)N2CCCC[C@H](C)C2)c([O-])c1C ZINC000436952932 292051945 /nfs/dbraw/zinc/05/19/45/292051945.db2.gz KUVCPIZSUIAEOP-NSHDSACASA-N -1 3 261.365 3.271 20 0 CGADHM Cc1ccc(CC2CN(Cc3nc(C)ccc3[O-])C2)cc1 ZINC000668608444 543035257 /nfs/dbraw/zinc/03/52/57/543035257.db2.gz QGERKWQBPGPXDW-UHFFFAOYSA-N -1 3 282.387 3.079 20 0 CGADHM CN(CC1=CCSC1)Cc1cccc([O-])c1Cl ZINC000668774944 543059280 /nfs/dbraw/zinc/05/92/80/543059280.db2.gz MDXCATFVHZMPPI-UHFFFAOYSA-N -1 3 269.797 3.151 20 0 CGADHM Cc1ccc(C(=O)N2CCS[C@H]3CCCC[C@@H]32)c([O-])c1 ZINC000175403182 292061371 /nfs/dbraw/zinc/06/13/71/292061371.db2.gz PCUGBIZGXWQGOU-ZFWWWQNUSA-N -1 3 291.416 3.201 20 0 CGADHM CCCc1ccc(CNc2ccc3c(c2)C(=O)[N-]C3=O)cc1 ZINC000671159251 543161522 /nfs/dbraw/zinc/16/15/22/543161522.db2.gz PGPQDWXHYCZKDW-UHFFFAOYSA-N -1 3 294.354 3.135 20 0 CGADHM CCc1cc([N-]C(=O)c2oc(-c3ccccc3)nc2C)no1 ZINC000673678212 543250885 /nfs/dbraw/zinc/25/08/85/543250885.db2.gz XKWTXZVZZXMKCD-UHFFFAOYSA-N -1 3 297.314 3.453 20 0 CGADHM Cc1ccc(C(=O)Nc2cccc(C)c2O)c([O-])c1C ZINC000674017940 543263895 /nfs/dbraw/zinc/26/38/95/543263895.db2.gz OJJBPQZEUGLIFO-UHFFFAOYSA-N -1 3 271.316 3.275 20 0 CGADHM CSc1ccc(CN2CCC[C@@H](CCC(=O)[O-])C2)cc1 ZINC000043585541 397616764 /nfs/dbraw/zinc/61/67/64/397616764.db2.gz UGIZBYRQFDHWQT-ZDUSSCGKSA-N -1 3 293.432 3.485 20 0 CGADHM CCCOc1cccc(C(=O)Nc2ccccc2[O-])c1 ZINC000045012425 397621759 /nfs/dbraw/zinc/62/17/59/397621759.db2.gz DNDIRSODLIAXFY-UHFFFAOYSA-N -1 3 271.316 3.433 20 0 CGADHM CSc1ccncc1[N-]C(=O)c1cc(F)ccc1F ZINC000674256448 543277711 /nfs/dbraw/zinc/27/77/11/543277711.db2.gz MTWYEPLBVRPIRX-UHFFFAOYSA-N -1 3 280.299 3.334 20 0 CGADHM c1cc(-c2noc([C@@H]3C[C@@H]3C3CCCC3)n2)cc2n[n-]nc12 ZINC000650606347 397880753 /nfs/dbraw/zinc/88/07/53/397880753.db2.gz CVASBAUKPANQJE-VXGBXAGGSA-N -1 3 295.346 3.302 20 0 CGADHM CC[C@H](C(=O)[O-])N(C)Cc1cscc1C(F)(F)F ZINC000650805991 397926800 /nfs/dbraw/zinc/92/68/00/397926800.db2.gz NRBAPRPNQYAXEU-SECBINFHSA-N -1 3 281.299 3.062 20 0 CGADHM [O-]c1cc(F)cc(CN2CC3CC2(C(F)(F)F)C3)c1 ZINC000335413386 296590189 /nfs/dbraw/zinc/59/01/89/296590189.db2.gz SPBZNKITTBOKEZ-UHFFFAOYSA-N -1 3 275.245 3.058 20 0 CGADHM CCc1ccc2nc([N-]C(=O)c3cnco3)sc2c1 ZINC000677645268 543457642 /nfs/dbraw/zinc/45/76/42/543457642.db2.gz PAOAHTTWZKQPFO-UHFFFAOYSA-N -1 3 273.317 3.099 20 0 CGADHM CCc1cccc(C(=O)N2[C@@H](C)CCC[C@@H]2C)c1[O-] ZINC000678310787 543513520 /nfs/dbraw/zinc/51/35/20/543513520.db2.gz QGBAGKQOTFPVDK-RYUDHWBXSA-N -1 3 261.365 3.358 20 0 CGADHM Cc1ccoc1C[N-]c1nc(-c2ccccc2)no1 ZINC000678997262 543580962 /nfs/dbraw/zinc/58/09/62/543580962.db2.gz YGBMRAFWFFATQK-UHFFFAOYSA-N -1 3 255.277 3.250 20 0 CGADHM Cc1ccc2[n-]cc(C(=O)N3C[C@H](C)CC[C@H]3C)c(=O)c2c1 ZINC000342059963 292301477 /nfs/dbraw/zinc/30/14/77/292301477.db2.gz JQFKHAYBEDSRDS-CHWSQXEVSA-N -1 3 298.386 3.097 20 0 CGADHM COc1ccc([O-])c(C(=O)Nc2ccc(C)cc2F)c1 ZINC000051770621 286934702 /nfs/dbraw/zinc/93/47/02/286934702.db2.gz BKELPOOXZWCCMJ-UHFFFAOYSA-N -1 3 275.279 3.101 20 0 CGADHM Cc1c(Cl)cccc1OCC(=O)Nc1ccccc1[O-] ZINC000076989512 287036947 /nfs/dbraw/zinc/03/69/47/287036947.db2.gz ZXUSVDXRELBWLB-UHFFFAOYSA-N -1 3 291.734 3.372 20 0 CGADHM Cc1[nH]ccc1C(=O)Nc1cc(Br)ccc1[O-] ZINC000085589595 287082075 /nfs/dbraw/zinc/08/20/75/287082075.db2.gz WIUSOOYCWHAUGR-UHFFFAOYSA-N -1 3 295.136 3.044 20 0 CGADHM C[C@H](c1ccccc1F)N(C)CC1(CC(=O)[O-])CC1 ZINC000088256152 287086252 /nfs/dbraw/zinc/08/62/52/287086252.db2.gz MHFBOQAVZKYCQM-LLVKDONJSA-N -1 3 265.328 3.073 20 0 CGADHM CC(C)CC(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000078490883 165132129 /nfs/dbraw/zinc/13/21/29/165132129.db2.gz GUWTUEXPWJFQED-UHFFFAOYSA-N -1 3 261.243 3.396 20 0 CGADHM CCOc1cccc(NCc2nc(C)ccc2[O-])c1 ZINC000091994733 165278081 /nfs/dbraw/zinc/27/80/81/165278081.db2.gz NQTUNYGATDDMJL-UHFFFAOYSA-N -1 3 258.321 3.106 20 0 CGADHM CCc1onc(C)c1[N-]C(=O)c1ncccc1C(F)(F)F ZINC000092481542 165297995 /nfs/dbraw/zinc/29/79/95/165297995.db2.gz ATFGRAZTAYDHRY-UHFFFAOYSA-N -1 3 299.252 3.212 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2ccccc2OC)c1 ZINC000093900286 287120120 /nfs/dbraw/zinc/12/01/20/287120120.db2.gz LNXBRECOVGQAFN-UHFFFAOYSA-N -1 3 271.316 3.216 20 0 CGADHM O=C([O-])C1CCC(NCc2cccc(Cl)c2F)CC1 ZINC000167035382 165492285 /nfs/dbraw/zinc/49/22/85/165492285.db2.gz KTOGSFHABFMLNA-UHFFFAOYSA-N -1 3 285.746 3.212 20 0 CGADHM COc1cccc(-c2nc(-c3cccc(F)c3)no2)c1[O-] ZINC000109037313 287127501 /nfs/dbraw/zinc/12/75/01/287127501.db2.gz PFXACNJHWRCYNN-UHFFFAOYSA-N -1 3 286.262 3.257 20 0 CGADHM CCCc1ncc(C(=O)Nc2ccc([O-])cc2F)s1 ZINC000183285156 165709709 /nfs/dbraw/zinc/70/97/09/165709709.db2.gz CDHHNWANXQGXFS-UHFFFAOYSA-N -1 3 280.324 3.193 20 0 CGADHM COc1ccc([O-])c(-c2nc(-c3cccc(C)c3)no2)c1 ZINC000111687175 287135989 /nfs/dbraw/zinc/13/59/89/287135989.db2.gz NANONWMEYYIXJL-UHFFFAOYSA-N -1 3 282.299 3.426 20 0 CGADHM [O-]c1ccccc1-c1nc(Cc2cccs2)no1 ZINC000111688185 287136315 /nfs/dbraw/zinc/13/63/15/287136315.db2.gz QTJMOYOAVCEWDD-UHFFFAOYSA-N -1 3 258.302 3.095 20 0 CGADHM [O-]c1ccccc1-c1nc(Cc2cc(F)cc(F)c2)no1 ZINC000111689109 287136493 /nfs/dbraw/zinc/13/64/93/287136493.db2.gz VSPQTVWEFTXEJW-UHFFFAOYSA-N -1 3 288.253 3.311 20 0 CGADHM C[C@H]([N-]S(=O)(=O)c1c(F)cccc1F)c1ccccc1 ZINC000007308027 170277286 /nfs/dbraw/zinc/27/72/86/170277286.db2.gz RUHDNLPSEYQIGC-JTQLQIEISA-N -1 3 297.326 3.004 20 0 CGADHM COc1ccccc1CCC(=O)Nc1ccc(C)cc1[O-] ZINC000008378337 170333661 /nfs/dbraw/zinc/33/36/61/170333661.db2.gz ZTBMMOYJHVPDIK-UHFFFAOYSA-N -1 3 285.343 3.281 20 0 CGADHM Cc1ccc(C(=O)Nc2ccc(C)cc2F)c([O-])c1 ZINC000020363074 171162131 /nfs/dbraw/zinc/16/21/31/171162131.db2.gz BBOISAUMWQFKGG-UHFFFAOYSA-N -1 3 259.280 3.400 20 0 CGADHM Cc1cccc(C(=O)N2CCC[C@H]3CCCC[C@@H]32)c1[O-] ZINC000035219405 172059758 /nfs/dbraw/zinc/05/97/58/172059758.db2.gz OVSIXBJWMMNWBA-HIFRSBDPSA-N -1 3 273.376 3.495 20 0 CGADHM COCCCO[N-]C(=O)Nc1ccc(Cl)cc1Cl ZINC000285472492 196296681 /nfs/dbraw/zinc/29/66/81/196296681.db2.gz AXESTGHNHRWUFH-UHFFFAOYSA-N -1 3 293.150 3.083 20 0 CGADHM O=C(CCSCc1ccccn1)Nc1ccccc1[O-] ZINC000127085536 287280255 /nfs/dbraw/zinc/28/02/55/287280255.db2.gz PFVPWUAACQEMOS-UHFFFAOYSA-N -1 3 288.372 3.049 20 0 CGADHM CCN(CCC(=O)[O-])Cc1ccc(Cl)cc1Cl ZINC000038024784 174008344 /nfs/dbraw/zinc/00/83/44/174008344.db2.gz PBLBMMFECQARAY-UHFFFAOYSA-N -1 3 276.163 3.290 20 0 CGADHM O=C(CCc1cc(F)ccc1F)Nc1cccc([O-])c1F ZINC000128806291 287318878 /nfs/dbraw/zinc/31/88/78/287318878.db2.gz XSZJNESBOSUNCK-UHFFFAOYSA-N -1 3 295.260 3.381 20 0 CGADHM O=C(/C=C/c1cccnc1)Nc1cc(Cl)ccc1[O-] ZINC000129448927 287332175 /nfs/dbraw/zinc/33/21/75/287332175.db2.gz HTULMHUXIAGUJQ-ZZXKWVIFSA-N -1 3 274.707 3.093 20 0 CGADHM CC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(C)ccc1F ZINC000048465171 416451100 /nfs/dbraw/zinc/45/11/00/416451100.db2.gz VPJYUYGZZDOHIR-GXTWGEPZSA-N -1 3 299.411 3.381 20 0 CGADHM COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)c(C)c1 ZINC000048652388 416456531 /nfs/dbraw/zinc/45/65/31/416456531.db2.gz VEHNROPYYYIKPC-UHFFFAOYSA-N -1 3 291.372 3.113 20 0 CGADHM CCOc1ccccc1C(=O)Nc1cccc([O-])c1F ZINC000129688801 287337290 /nfs/dbraw/zinc/33/72/90/287337290.db2.gz PFILZDVIDNQUMT-UHFFFAOYSA-N -1 3 275.279 3.182 20 0 CGADHM CCc1ccccc1OCC(=O)Nc1cccc([O-])c1F ZINC000129643325 287336850 /nfs/dbraw/zinc/33/68/50/287336850.db2.gz KUWAFXDECCAWIE-UHFFFAOYSA-N -1 3 289.306 3.111 20 0 CGADHM Cc1cc(C(=O)N2C3CCCC2CCC3)ccc1[O-] ZINC000679410306 543636061 /nfs/dbraw/zinc/63/60/61/543636061.db2.gz GJGUTKKMELWFRK-UHFFFAOYSA-N -1 3 259.349 3.248 20 0 CGADHM Cc1ccc([O-])c(CN2C[C@H](C(F)(F)F)CC[C@@H]2C)n1 ZINC000679583731 543649627 /nfs/dbraw/zinc/64/96/27/543649627.db2.gz FYSYAFBGGHEVLO-WDEREUQCSA-N -1 3 288.313 3.258 20 0 CGADHM COc1ccc(C(=O)NC2(C)CCC(F)(F)CC2)c([O-])c1 ZINC000680048723 543680158 /nfs/dbraw/zinc/68/01/58/543680158.db2.gz FSYOLHDCXNUKST-UHFFFAOYSA-N -1 3 299.317 3.099 20 0 CGADHM Cc1ccc([O-])c(CNc2nc3ccccc3n2C2CC2)n1 ZINC000680852525 543739491 /nfs/dbraw/zinc/73/94/91/543739491.db2.gz DENUBJGVYJWZKR-UHFFFAOYSA-N -1 3 294.358 3.392 20 0 CGADHM CC[C@H](NC(=O)c1ccc([O-])c(OC)c1)C1CCCCC1 ZINC000682375746 543837535 /nfs/dbraw/zinc/83/75/35/543837535.db2.gz CCAFUKYWKBJAIO-AWEZNQCLSA-N -1 3 291.391 3.490 20 0 CGADHM CSc1ccncc1[N-]C(=O)c1nc(C)c(C)s1 ZINC000683568374 543925993 /nfs/dbraw/zinc/92/59/93/543925993.db2.gz OIBGMTYHPRMBRN-UHFFFAOYSA-N -1 3 279.390 3.129 20 0 CGADHM Cc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2[O-])ccn1 ZINC000684056013 543963690 /nfs/dbraw/zinc/96/36/90/543963690.db2.gz OULACLUZDZYMDN-UHFFFAOYSA-N -1 3 296.248 3.367 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)CCC(F)F)c1[O-] ZINC000684472052 544005519 /nfs/dbraw/zinc/00/55/19/544005519.db2.gz ZJKAOSAQUNGCGX-UHFFFAOYSA-N -1 3 263.671 3.338 20 0 CGADHM C[C@@H]1C[C@H]1CC(=O)Nc1ccc(Br)cc1[O-] ZINC000685610297 544088525 /nfs/dbraw/zinc/08/85/25/544088525.db2.gz JFWZDCCETKESPA-SFYZADRCSA-N -1 3 284.153 3.139 20 0 CGADHM CCc1cccc(C(=O)N2CCC[C@@H](C3CC3)C2)c1[O-] ZINC000685857505 544104162 /nfs/dbraw/zinc/10/41/62/544104162.db2.gz FKHMOGJHZBXBCP-CQSZACIVSA-N -1 3 273.376 3.217 20 0 CGADHM CC(C)[C@@H]1CN([C@H](C(=O)[O-])c2ccc(F)cc2)CCS1 ZINC000652438886 418968859 /nfs/dbraw/zinc/96/88/59/418968859.db2.gz KRUAUZANTOTPID-KBPBESRZSA-N -1 3 297.395 3.025 20 0 CGADHM CCOc1cc(-c2noc([C@H]3C[C@H]4C[C@H]4C3)n2)ccc1[O-] ZINC000664847524 419014400 /nfs/dbraw/zinc/01/44/00/419014400.db2.gz YAUFKXPFNXBUNE-GDNZZTSVSA-N -1 3 286.331 3.354 20 0 CGADHM CC(C)c1ccc(C(=O)NC2(C(F)(F)F)CC2)c([O-])c1 ZINC000655094030 419021029 /nfs/dbraw/zinc/02/10/29/419021029.db2.gz AOKCOUNADCVHTB-UHFFFAOYSA-N -1 3 287.281 3.340 20 0 CGADHM CC[C@H](NC(=O)c1cc([O-])ccc1Cl)[C@H]1CCCCO1 ZINC000655348516 419041718 /nfs/dbraw/zinc/04/17/18/419041718.db2.gz OAWLKJBODXBKAK-UONOGXRCSA-N -1 3 297.782 3.123 20 0 CGADHM CCCN(CC1CCCCC1)C(=O)Cc1cncc([O-])c1 ZINC000655391237 419045633 /nfs/dbraw/zinc/04/56/33/419045633.db2.gz GKCHCEKZXVTBSR-UHFFFAOYSA-N -1 3 290.407 3.149 20 0 CGADHM Cc1noc(C(F)F)c1C(=O)[N-]c1nc(C(C)(C)C)co1 ZINC000653920429 419113052 /nfs/dbraw/zinc/11/30/52/419113052.db2.gz QIADNDLZRMKNAD-UHFFFAOYSA-N -1 3 299.277 3.458 20 0 CGADHM C[C@@H](Cc1ccccn1)NCc1cccc([O-])c1Cl ZINC000655843773 419116086 /nfs/dbraw/zinc/11/60/86/419116086.db2.gz VTHMCOAPHAMJKB-NSHDSACASA-N -1 3 276.767 3.161 20 0 CGADHM O=C([O-])[C@H](CNCc1cccc(Cl)c1F)C1CCC1 ZINC000665362111 419119241 /nfs/dbraw/zinc/11/92/41/419119241.db2.gz ZQZFMYRPEZOMJX-LLVKDONJSA-N -1 3 285.746 3.070 20 0 CGADHM CSc1ccc([O-])c(C(=O)N2C[C@H](C)C[C@H](C)C2)c1 ZINC000665100269 419055564 /nfs/dbraw/zinc/05/55/64/419055564.db2.gz STRZJXQMQNLOMX-PHIMTYICSA-N -1 3 279.405 3.232 20 0 CGADHM CN(CCCC1CCC1)Cc1nc(=O)c2sccc2[n-]1 ZINC000660294630 419123971 /nfs/dbraw/zinc/12/39/71/419123971.db2.gz ZCDOQLGAJOKSDN-UHFFFAOYSA-N -1 3 291.420 3.409 20 0 CGADHM O=C(c1cc([O-])ccc1Cl)N1CC[C@@H](C2CCC2)C1 ZINC000665684646 419150712 /nfs/dbraw/zinc/15/07/12/419150712.db2.gz YAMUPIIWCBAUDZ-LLVKDONJSA-N -1 3 279.767 3.308 20 0 CGADHM CCOc1cc(CN2CCCOC[C@@H]2C)cc(Cl)c1[O-] ZINC000656441947 419171360 /nfs/dbraw/zinc/17/13/60/419171360.db2.gz NHFHBIMUZBRRJV-NSHDSACASA-N -1 3 299.798 3.055 20 0 CGADHM Cc1cc(=O)[n-]c(C(C)(C)NCc2ccc(C3CC3)cc2)n1 ZINC000660749692 419189460 /nfs/dbraw/zinc/18/94/60/419189460.db2.gz NFZXORHIFFVQRP-UHFFFAOYSA-N -1 3 297.402 3.393 20 0 CGADHM O=C([O-])C[C@H]1CCCCN1CCCc1c(F)cccc1F ZINC000655925943 419126106 /nfs/dbraw/zinc/12/61/06/419126106.db2.gz HEVXTFGLRKFUAD-GFCCVEGCSA-N -1 3 297.345 3.227 20 0 CGADHM c1c(CSc2n[n-]c(-c3ccccn3)n2)onc1C1CC1 ZINC000657249303 419236241 /nfs/dbraw/zinc/23/62/41/419236241.db2.gz IWZJLCOBKXVLMU-UHFFFAOYSA-N -1 3 299.359 3.024 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCCC(C)(C)CC2)n1 ZINC000192602219 228166377 /nfs/dbraw/zinc/16/63/77/228166377.db2.gz RGXGZROEFBLTQT-GFCCVEGCSA-N -1 3 263.385 3.064 20 0 CGADHM Cc1oc(CN2CC3CC2(c2ccccc2)C3)cc1C(=O)[O-] ZINC000663317661 419552828 /nfs/dbraw/zinc/55/28/28/419552828.db2.gz OMMNAIMNWOLPQS-UHFFFAOYSA-N -1 3 297.354 3.407 20 0 CGADHM CC(C)c1cccc(CN2CCSC[C@H]2CC(=O)[O-])c1 ZINC000663317318 419552984 /nfs/dbraw/zinc/55/29/84/419552984.db2.gz LOWJYLLMKOCGLK-OAHLLOKOSA-N -1 3 293.432 3.202 20 0 CGADHM Cc1cc(CN2CC3CC2(c2ccccc2)C3)oc1C(=O)[O-] ZINC000663317702 419555834 /nfs/dbraw/zinc/55/58/34/419555834.db2.gz PWOXOHXDHRXQBC-UHFFFAOYSA-N -1 3 297.354 3.407 20 0 CGADHM Cc1ccc2nccc(N3C[C@H](C(=O)[O-])CC[C@H]3C)c2c1 ZINC000662893275 419503457 /nfs/dbraw/zinc/50/34/57/419503457.db2.gz JXNSDAHPVVFZGW-CHWSQXEVSA-N -1 3 284.359 3.233 20 0 CGADHM Cc1cccc([O-])c1NC(=O)/C=C/c1nc2ccccc2o1 ZINC000179563912 260055241 /nfs/dbraw/zinc/05/52/41/260055241.db2.gz WKYZCYAAHWUESQ-MDZDMXLPSA-N -1 3 294.310 3.494 20 0 CGADHM O=C(N[C@@H]1CCSc2ccccc21)c1ccccc1[O-] ZINC000032743801 270027259 /nfs/dbraw/zinc/02/72/59/270027259.db2.gz QIFUEXZOIFHIEF-CYBMUJFWSA-N -1 3 285.368 3.359 20 0 CGADHM CC(C)[C@H](NCc1csc(-c2ccccc2)n1)C(=O)[O-] ZINC000035406707 270028115 /nfs/dbraw/zinc/02/81/15/270028115.db2.gz PJRWOPUMQNPSRK-ZDUSSCGKSA-N -1 3 290.388 3.009 20 0 CGADHM COc1cccc(C(=O)N[C@H](C)c2cc(C)oc2C)c1[O-] ZINC000044731488 270037875 /nfs/dbraw/zinc/03/78/75/270037875.db2.gz CDDABHPAAOKTCP-SNVBAGLBSA-N -1 3 289.331 3.102 20 0 CGADHM Cc1ccc(CC(=O)N2CCCc3cccc([O-])c32)s1 ZINC000182931605 270054505 /nfs/dbraw/zinc/05/45/05/270054505.db2.gz KBGKCBXRNWCHBE-UHFFFAOYSA-N -1 3 287.384 3.284 20 0 CGADHM COCCn1c2ccccc2nc1-c1cc([O-])cc(F)c1 ZINC000184588013 270058958 /nfs/dbraw/zinc/05/89/58/270058958.db2.gz GQJBHCPAFRAJIA-UHFFFAOYSA-N -1 3 286.306 3.194 20 0 CGADHM CC(C)Sc1ccc(Cl)cc1[N-]S(C)(=O)=O ZINC000519216723 265369468 /nfs/dbraw/zinc/36/94/68/265369468.db2.gz VTEVPVZMCURQCU-UHFFFAOYSA-N -1 3 279.814 3.212 20 0 CGADHM C[C@@H](NCc1cc([O-])cc(F)c1)c1nc(C(C)(C)C)no1 ZINC000185560271 270063492 /nfs/dbraw/zinc/06/34/92/270063492.db2.gz JHZBYKSYWWARLY-SECBINFHSA-N -1 3 293.342 3.063 20 0 CGADHM Cc1ccc([O-])c(C(=O)NCc2ccc3ncccc3c2)c1 ZINC000193993682 270080998 /nfs/dbraw/zinc/08/09/98/270080998.db2.gz USLXERYNTJZMFH-UHFFFAOYSA-N -1 3 292.338 3.179 20 0 CGADHM COC1(c2noc(-c3ccccc3[O-])n2)CCCCC1 ZINC000227834452 270087523 /nfs/dbraw/zinc/08/75/23/270087523.db2.gz IFQXSJBNWDYXPL-UHFFFAOYSA-N -1 3 274.320 3.248 20 0 CGADHM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1ccccc1F ZINC000229338761 270088198 /nfs/dbraw/zinc/08/81/98/270088198.db2.gz VUOTUJKTCMNZNC-UHFFFAOYSA-N -1 3 297.326 3.382 20 0 CGADHM CC(C)=CCNCc1cccc([O-])c1Br ZINC000315775680 270092655 /nfs/dbraw/zinc/09/26/55/270092655.db2.gz VXZVABHKLYTHIF-UHFFFAOYSA-N -1 3 270.170 3.211 20 0 CGADHM [O-]c1cccc(CNCCc2cccs2)c1Cl ZINC000328430760 270095135 /nfs/dbraw/zinc/09/51/35/270095135.db2.gz AYHWLKLGUNLREM-UHFFFAOYSA-N -1 3 267.781 3.439 20 0 CGADHM CCC[C@H](C)C(=O)N=c1[nH][n-]c(C)c1-c1ccccc1 ZINC000522212225 270105284 /nfs/dbraw/zinc/10/52/84/270105284.db2.gz WILYRNDRGABJDI-NSHDSACASA-N -1 3 271.364 3.182 20 0 CGADHM CCC(C)(C)OC1CN(Cc2c(F)ccc([O-])c2F)C1 ZINC000529641705 270186807 /nfs/dbraw/zinc/18/68/07/270186807.db2.gz PKNSPDDLWALEID-UHFFFAOYSA-N -1 3 285.334 3.060 20 0 CGADHM CC[C@@H](NC(=O)c1csc(=O)[n-]1)c1cc(C)ccc1C ZINC000530100263 270194144 /nfs/dbraw/zinc/19/41/44/270194144.db2.gz TVZDHTZBRQAVEM-GFCCVEGCSA-N -1 3 290.388 3.347 20 0 CGADHM O=C([O-])[C@@H]1c2ccoc2CCN1CC1CCC(F)(F)CC1 ZINC000530166182 270195234 /nfs/dbraw/zinc/19/52/34/270195234.db2.gz LQOAWVSJJJPMLS-ZDUSSCGKSA-N -1 3 299.317 3.089 20 0 CGADHM Cc1ccc(C)c(CN2CCc3occc3[C@H]2C(=O)[O-])c1 ZINC000530164721 270195383 /nfs/dbraw/zinc/19/53/83/270195383.db2.gz CCEGQTAIGSFXSE-INIZCTEOSA-N -1 3 285.343 3.080 20 0 CGADHM COCCC1CCN([C@H](C)c2cc(C)c(C(=O)[O-])o2)CC1 ZINC000530165338 270195410 /nfs/dbraw/zinc/19/54/10/270195410.db2.gz XKTRGWBWDIBECL-GFCCVEGCSA-N -1 3 295.379 3.096 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)[C@@H]2CCCC23CC3)c1-c1ccccc1 ZINC000530262723 270197916 /nfs/dbraw/zinc/19/79/16/270197916.db2.gz YHHBHCRJKVTREW-AWEZNQCLSA-N -1 3 295.386 3.326 20 0 CGADHM Cc1cc(S(=O)(=O)[N-]CCCC2CC2)sc1Cl ZINC000530543891 270200839 /nfs/dbraw/zinc/20/08/39/270200839.db2.gz APHYRDWIZMZNKD-UHFFFAOYSA-N -1 3 293.841 3.178 20 0 CGADHM COc1cc(C(=O)N[C@@H]2CCC[C@H](C)CC2)ccc1[O-] ZINC000277029066 277370365 /nfs/dbraw/zinc/37/03/65/277370365.db2.gz DMRKNXCDCILKKY-WCQYABFASA-N -1 3 277.364 3.099 20 0 CGADHM CC(C)c1scnc1[N-]C(=O)c1ccnc(F)c1F ZINC000289086008 278119630 /nfs/dbraw/zinc/11/96/30/278119630.db2.gz HWUVIMRZMLJRCD-UHFFFAOYSA-N -1 3 283.303 3.192 20 0 CGADHM CC1(C)CN(C(=O)c2ccc(O)cc2[O-])Cc2ccccc21 ZINC000270735721 278322969 /nfs/dbraw/zinc/32/29/69/278322969.db2.gz FZCSAEKUNLJGEU-UHFFFAOYSA-N -1 3 297.354 3.031 20 0 CGADHM C[C@H]1CCN(C(=O)[C@H]2CCC(C)(C)O2)c2c([O-])cccc21 ZINC000280196024 278361559 /nfs/dbraw/zinc/36/15/59/278361559.db2.gz JZPJIBJUPZPIOH-SMDDNHRTSA-N -1 3 289.375 3.190 20 0 CGADHM CC[C@H]1CN(C(=O)c2cc([O-])ccc2Cl)C[C@H](CC)O1 ZINC000398763699 288047910 /nfs/dbraw/zinc/04/79/10/288047910.db2.gz FXVQPCHSAWUKPJ-RYUDHWBXSA-N -1 3 297.782 3.075 20 0 CGADHM CCCCOc1ccc(C(=O)N2CCC[C@H]2C)c([O-])c1 ZINC000190538990 278717080 /nfs/dbraw/zinc/71/70/80/278717080.db2.gz NKCASCPYFGDRIM-GFCCVEGCSA-N -1 3 277.364 3.196 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2C[C@H](C)Oc3ccccc32)c1 ZINC000436542104 278835838 /nfs/dbraw/zinc/83/58/38/278835838.db2.gz CYVMXQQBNXBMMH-LBPRGKRZSA-N -1 3 283.327 3.128 20 0 CGADHM O=c1cc(CN2CCC3(CCC3)C2)nc(-c2ccccc2)[n-]1 ZINC000459369826 288084326 /nfs/dbraw/zinc/08/43/26/288084326.db2.gz QFVSSIHPNVCOTN-UHFFFAOYSA-N -1 3 295.386 3.225 20 0 CGADHM O=c1cc(CN[C@@H](c2ccccc2)C2CC2)nc(C2CC2)[n-]1 ZINC000459387233 288087315 /nfs/dbraw/zinc/08/73/15/288087315.db2.gz MRKGGGIWHVEQIX-KRWDZBQOSA-N -1 3 295.386 3.301 20 0 CGADHM Cc1cnc(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])cn1 ZINC000436521631 279010263 /nfs/dbraw/zinc/01/02/63/279010263.db2.gz NSLMVYKPIXZAPN-UHFFFAOYSA-N -1 3 285.347 3.040 20 0 CGADHM CCc1cc(C(=O)Nc2ccc3c(c2)CCO3)ccc1[O-] ZINC000485620507 288112574 /nfs/dbraw/zinc/11/25/74/288112574.db2.gz BDNSMWRGVNAGFR-UHFFFAOYSA-N -1 3 283.327 3.142 20 0 CGADHM CCC[C@H]1CCCC[C@@H]1NC(=O)c1cccc2nn[n-]c21 ZINC000526114976 288149141 /nfs/dbraw/zinc/14/91/41/288149141.db2.gz VVHNFIHHNIQFTD-AAEUAGOBSA-N -1 3 286.379 3.047 20 0 CGADHM CCC[C@H]1CCCC[C@@H]1NC(=O)c1cccc2[n-]nnc21 ZINC000526114976 288149143 /nfs/dbraw/zinc/14/91/43/288149143.db2.gz VVHNFIHHNIQFTD-AAEUAGOBSA-N -1 3 286.379 3.047 20 0 CGADHM CCC[C@H]1CCCC[C@@H]1NC(=O)c1cccc2n[n-]nc21 ZINC000526114976 288149145 /nfs/dbraw/zinc/14/91/45/288149145.db2.gz VVHNFIHHNIQFTD-AAEUAGOBSA-N -1 3 286.379 3.047 20 0 CGADHM Cc1ccccc1[C@H](NC(=O)c1csc(=O)[n-]1)C1CC1 ZINC000527455927 288168800 /nfs/dbraw/zinc/16/88/00/288168800.db2.gz KPNQJEUVXFGWMG-CYBMUJFWSA-N -1 3 288.372 3.038 20 0 CGADHM Cc1nc2ccc(C(=O)Nc3cccc([O-])c3F)cc2o1 ZINC000527460652 288169145 /nfs/dbraw/zinc/16/91/45/288169145.db2.gz BZNWJPUMGFPMHD-UHFFFAOYSA-N -1 3 286.262 3.233 20 0 CGADHM CC(C)[C@H]1CCN1C(=O)c1cc([O-])cc(Br)c1 ZINC000528968060 288225949 /nfs/dbraw/zinc/22/59/49/288225949.db2.gz HURNENBXAYAVSP-GFCCVEGCSA-N -1 3 298.180 3.025 20 0 CGADHM CC1(C)CCN(C(=O)c2cc3c(cc2[O-])CCCC3)C1 ZINC000436571170 281085869 /nfs/dbraw/zinc/08/58/69/281085869.db2.gz AINKJCRUVXUUPZ-UHFFFAOYSA-N -1 3 273.376 3.143 20 0 CGADHM CCc1ccc(C(=O)N2CC(C)(C)[C@H]2C(C)C)c([O-])c1 ZINC000437001256 281394324 /nfs/dbraw/zinc/39/43/24/281394324.db2.gz CDKLSZSFLMPMEY-OAHLLOKOSA-N -1 3 275.392 3.461 20 0 CGADHM COc1cc(/C=C/c2ccncn2)cc(Cl)c1[O-] ZINC000535036151 288434803 /nfs/dbraw/zinc/43/48/03/288434803.db2.gz UDDOHCKHMWDSFD-NSCUHMNNSA-N -1 3 262.696 3.015 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2C(C)C)o1 ZINC000536894522 288510150 /nfs/dbraw/zinc/51/01/50/288510150.db2.gz SJHAOFTWFSFZIJ-QWHCGFSZSA-N -1 3 285.409 3.081 20 0 CGADHM CCc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)c([O-])c1 ZINC000188434022 288533714 /nfs/dbraw/zinc/53/37/14/288533714.db2.gz WMCGIYFYHXOMMI-VXGBXAGGSA-N -1 3 261.365 3.073 20 0 CGADHM CC(C)[C@H]1C[C@@H](CC(=O)Nc2cccc([O-])c2F)CCO1 ZINC000543850570 288822675 /nfs/dbraw/zinc/82/26/75/288822675.db2.gz ZCOQSWLOLDOVGE-SMDDNHRTSA-N -1 3 295.354 3.311 20 0 CGADHM Cc1ccccc1[C@H]1CCN(C(=O)c2cccc([O-])c2)C1 ZINC000272817358 292697947 /nfs/dbraw/zinc/69/79/47/292697947.db2.gz ODTGRHMTXIVCIW-HNNXBMFYSA-N -1 3 281.355 3.330 20 0 CGADHM Cc1noc(C2CC2)c1[N-]C(=O)c1cnc(C2CC2)s1 ZINC000545919614 288907949 /nfs/dbraw/zinc/90/79/49/288907949.db2.gz CDPNDPBNHCBFLS-UHFFFAOYSA-N -1 3 289.360 3.447 20 0 CGADHM CCc1cccc(C(=O)N(CC)CCC2CC2)c1[O-] ZINC000546215681 288919821 /nfs/dbraw/zinc/91/98/21/288919821.db2.gz HKHOCURMWPPLFU-UHFFFAOYSA-N -1 3 261.365 3.217 20 0 CGADHM CCc1cccc(C(=O)NCCC[C@@H]2CCCCO2)c1[O-] ZINC000546214624 288919836 /nfs/dbraw/zinc/91/98/36/288919836.db2.gz KRZOHBJXIUJCLY-AWEZNQCLSA-N -1 3 291.391 3.034 20 0 CGADHM C[C@H]1CC[C@@H](CCC(=O)Nc2c([O-])cccc2Cl)O1 ZINC000552434172 289188882 /nfs/dbraw/zinc/18/88/82/289188882.db2.gz FAJSKMFTIZPZOF-UWVGGRQHSA-N -1 3 283.755 3.332 20 0 CGADHM CCc1ccnc(C(=O)Nc2c([O-])cccc2Cl)c1 ZINC000552435382 289188963 /nfs/dbraw/zinc/18/89/63/289188963.db2.gz DUVCXMGMTVGHCP-UHFFFAOYSA-N -1 3 276.723 3.255 20 0 CGADHM CCc1cccc(C(=O)N2CCCC[C@H]2c2cc[nH]n2)c1[O-] ZINC000553189447 289212207 /nfs/dbraw/zinc/21/22/07/289212207.db2.gz UQLCJRGFWLDAKI-HNNXBMFYSA-N -1 3 299.374 3.045 20 0 CGADHM CC(C)CC1(C(=O)N=c2cc3ccccn3[n-]2)CCCC1 ZINC000553324519 289219222 /nfs/dbraw/zinc/21/92/22/289219222.db2.gz KZGKIPNALHGMSE-UHFFFAOYSA-N -1 3 285.391 3.301 20 0 CGADHM CC[C@@H](CC(=O)N=c1cc2ccccn2[n-]1)c1ccccc1 ZINC000553324938 289219237 /nfs/dbraw/zinc/21/92/37/289219237.db2.gz RPCROGIEVMRFEC-AWEZNQCLSA-N -1 3 293.370 3.279 20 0 CGADHM [O-]c1cccnc1CN1CC[C@@H](c2c(F)cccc2F)C1 ZINC000554861317 289314722 /nfs/dbraw/zinc/31/47/22/289314722.db2.gz MMIYVVRYFUVGHJ-LLVKDONJSA-N -1 3 290.313 3.055 20 0 CGADHM CCc1cc(C(=O)NCc2cc(F)cc(F)c2)ccc1[O-] ZINC000557513009 289443868 /nfs/dbraw/zinc/44/38/68/289443868.db2.gz VKOWHMRBDZTOSF-UHFFFAOYSA-N -1 3 291.297 3.163 20 0 CGADHM CCc1cc(C(=O)N(C)[C@@H](C)C(C)(C)C)ccc1[O-] ZINC000558904405 289526863 /nfs/dbraw/zinc/52/68/63/289526863.db2.gz QCHYJLWXYWAQKP-NSHDSACASA-N -1 3 263.381 3.461 20 0 CGADHM Cc1ccc([O-])c(C(=O)N[C@H]2C[C@H]2c2cccc(F)c2)c1 ZINC000560608149 289609561 /nfs/dbraw/zinc/60/95/61/289609561.db2.gz RVPYTBIYNATKCQ-ZFWWWQNUSA-N -1 3 285.318 3.126 20 0 CGADHM Cn1cccc1[C@@H]1CCCN1Cc1c(F)ccc([O-])c1F ZINC000294948530 294387937 /nfs/dbraw/zinc/38/79/37/294387937.db2.gz PYTBLBRQRSAMGP-AWEZNQCLSA-N -1 3 292.329 3.346 20 0 CGADHM C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccccc1[O-] ZINC000173051156 297481410 /nfs/dbraw/zinc/48/14/10/297481410.db2.gz VTSQWBHTKQQSGH-BZPMIXESSA-N -1 3 259.349 3.185 20 0 CGADHM Cc1cccc2c1ncc(C)c2N(C)C[C@@H](C)C(=O)[O-] ZINC000263568818 302067465 /nfs/dbraw/zinc/06/74/65/302067465.db2.gz YUSTYAJMJNIESO-GFCCVEGCSA-N -1 3 272.348 3.009 20 0 CGADHM Cc1noc(C2CC2)c1NC(=O)c1ccc(C)cc1[O-] ZINC000152926720 321709655 /nfs/dbraw/zinc/70/96/55/321709655.db2.gz HAYFPRHQLJYNGJ-UHFFFAOYSA-N -1 3 272.304 3.127 20 0 CGADHM CCc1cccc(C(=O)N2CC[C@@H](C)[C@H](C)C2)c1[O-] ZINC000153754221 321726251 /nfs/dbraw/zinc/72/62/51/321726251.db2.gz FQLXSRMVAIQHTB-VXGBXAGGSA-N -1 3 261.365 3.073 20 0 CGADHM O=C(CCCc1cc(F)ccc1F)Nc1ncccc1[O-] ZINC000159104600 321829418 /nfs/dbraw/zinc/82/94/18/321829418.db2.gz OGCPIUVRQFMHMV-UHFFFAOYSA-N -1 3 292.285 3.027 20 0 CGADHM CC1(C)CN(Cc2ncccc2[O-])Cc2ccccc21 ZINC000563650464 322005600 /nfs/dbraw/zinc/00/56/00/322005600.db2.gz MAGSFRMFLBEPLQ-UHFFFAOYSA-N -1 3 268.360 3.081 20 0 CGADHM CC[C@H](c1ccc(F)cc1F)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000564966554 322051808 /nfs/dbraw/zinc/05/18/08/322051808.db2.gz NUPAVFGFQKDQSM-RIEGTJTDSA-N -1 3 297.345 3.459 20 0 CGADHM CC[C@@H](C)CCC(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000565025076 322055756 /nfs/dbraw/zinc/05/57/56/322055756.db2.gz PCRRXSWYBOTTME-SNVBAGLBSA-N -1 3 263.337 3.360 20 0 CGADHM Cc1nc(C(C)C)ccc1CN1CCC(CC(=O)[O-])CC1 ZINC000565103605 322060407 /nfs/dbraw/zinc/06/04/07/322060407.db2.gz HLITUQBGJOSNOA-UHFFFAOYSA-N -1 3 290.407 3.200 20 0 CGADHM C[C@@]1(c2ccccc2)CCN(Cc2cc(C(=O)[O-])co2)C1 ZINC000565662793 322086255 /nfs/dbraw/zinc/08/62/55/322086255.db2.gz LWVOHHDRFKTRBJ-QGZVFWFLSA-N -1 3 285.343 3.141 20 0 CGADHM CC(C)[C@@H]1CN([C@H](C(=O)[O-])c2ccccc2F)CCS1 ZINC000566074053 322102793 /nfs/dbraw/zinc/10/27/93/322102793.db2.gz LKUZXRWRFKRNPK-KBPBESRZSA-N -1 3 297.395 3.025 20 0 CGADHM C[C@H](c1ccc(F)c(F)c1)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000566221917 322109904 /nfs/dbraw/zinc/10/99/04/322109904.db2.gz WSKSNDPNIFACFF-CKYFFXLPSA-N -1 3 283.318 3.068 20 0 CGADHM Cc1sc(C(=O)[O-])cc1CN(C(C)C)C1CC1 ZINC000566359633 322118359 /nfs/dbraw/zinc/11/83/59/322118359.db2.gz YPSCOSMILUIVLS-UHFFFAOYSA-N -1 3 253.367 3.128 20 0 CGADHM CC1=C(C)C[C@H](C(=O)Nc2nnc(-c3ccco3)[n-]2)CC1 ZINC000566916368 322142993 /nfs/dbraw/zinc/14/29/93/322142993.db2.gz PUTIYKGGHOHDPJ-LLVKDONJSA-N -1 3 286.335 3.140 20 0 CGADHM CC1=C(C)C[C@H](C(=O)Nc2nc(-c3ccco3)n[n-]2)CC1 ZINC000566916368 322142994 /nfs/dbraw/zinc/14/29/94/322142994.db2.gz PUTIYKGGHOHDPJ-LLVKDONJSA-N -1 3 286.335 3.140 20 0 CGADHM CC1=C(C)C[C@H](C(=O)Nc2n[n-]c(-c3ccco3)n2)CC1 ZINC000566916368 322142995 /nfs/dbraw/zinc/14/29/95/322142995.db2.gz PUTIYKGGHOHDPJ-LLVKDONJSA-N -1 3 286.335 3.140 20 0 CGADHM CC[C@@]1(C(C)C)C[C@@H]1NC(=O)c1c[n-]nc1-c1ccccn1 ZINC000567021689 322147346 /nfs/dbraw/zinc/14/73/46/322147346.db2.gz YXSISKWYVXBWEK-YOEHRIQHSA-N -1 3 298.390 3.026 20 0 CGADHM CCC[C@@H](CC)S(=O)(=O)[N-]c1cc(C)ccc1OC ZINC000567673508 322172738 /nfs/dbraw/zinc/17/27/38/322172738.db2.gz PUZVPXXZQRVKFR-GFCCVEGCSA-N -1 3 285.409 3.324 20 0 CGADHM C[C@H]1CCN(Cc2cccc(C(F)F)c2)C[C@H]1C(=O)[O-] ZINC000567856691 322180373 /nfs/dbraw/zinc/18/03/73/322180373.db2.gz PGOJJUGTZOUAMN-GXFFZTMASA-N -1 3 283.318 3.167 20 0 CGADHM COc1ccc([O-])c(C(=O)NC(C)(C)c2cccc(C)c2)c1 ZINC000568136346 322194160 /nfs/dbraw/zinc/19/41/60/322194160.db2.gz QWFIAIMNOAVIJM-UHFFFAOYSA-N -1 3 299.370 3.374 20 0 CGADHM Cc1ccc([C@H](C)N(C)C(=O)Cc2cncc([O-])c2)c(C)c1 ZINC000568233385 322199463 /nfs/dbraw/zinc/19/94/63/322199463.db2.gz NBZIBMXTVXGBMH-AWEZNQCLSA-N -1 3 298.386 3.166 20 0 CGADHM Cc1ccc([C@@H](C)N(C)C(=O)Cc2cncc([O-])c2)c(C)c1 ZINC000568233386 322199527 /nfs/dbraw/zinc/19/95/27/322199527.db2.gz NBZIBMXTVXGBMH-CQSZACIVSA-N -1 3 298.386 3.166 20 0 CGADHM CCC1CCC(N(Cc2oncc2C(=O)[O-])C2CC2)CC1 ZINC000568890591 322226720 /nfs/dbraw/zinc/22/67/20/322226720.db2.gz MPWVBUOBDMZOEV-UHFFFAOYSA-N -1 3 292.379 3.306 20 0 CGADHM Cc1cccc(C(=O)Nc2cc(C3CC3)ccn2)c1[O-] ZINC000569298941 322242322 /nfs/dbraw/zinc/24/23/22/322242322.db2.gz PYUPJVWRBCLXQU-UHFFFAOYSA-N -1 3 268.316 3.225 20 0 CGADHM CC1([C@@H](NCc2ccc(F)cc2F)C(=O)[O-])CCCCC1 ZINC000569563544 322250350 /nfs/dbraw/zinc/25/03/50/322250350.db2.gz PLAHOQJGMDISAU-AWEZNQCLSA-N -1 3 297.345 3.478 20 0 CGADHM CCc1cc(N2CC[C@H](C(=O)[O-])[C@@H]2C)c2ccccc2n1 ZINC000570725211 322280863 /nfs/dbraw/zinc/28/08/63/322280863.db2.gz PNKGSAZHLHDMLV-AAEUAGOBSA-N -1 3 284.359 3.097 20 0 CGADHM CCN(C(=O)c1cc(=O)[n-]c(C2CC2)n1)c1cccc(C)c1 ZINC000571177117 322292009 /nfs/dbraw/zinc/29/20/09/322292009.db2.gz VPWCMRWKHIOXLP-UHFFFAOYSA-N -1 3 297.358 3.035 20 0 CGADHM CC1(C)CCN1Cc1cc([O-])cc(C(F)(F)F)c1 ZINC000571846792 322309225 /nfs/dbraw/zinc/30/92/25/322309225.db2.gz HYDUIKSFSGMSSA-UHFFFAOYSA-N -1 3 259.271 3.395 20 0 CGADHM Cc1oc([C@H](C)N2CC[C@@H](OCC(C)C)C2)cc1C(=O)[O-] ZINC000572168664 322323775 /nfs/dbraw/zinc/32/37/75/322323775.db2.gz GUQAMVHYBFDQMK-WCQYABFASA-N -1 3 295.379 3.094 20 0 CGADHM O=c1cc(-c2noc([C@@H](F)CC3CCCCC3)n2)nc[n-]1 ZINC000572242700 322326751 /nfs/dbraw/zinc/32/67/51/322326751.db2.gz YRWZDYNJYUGIDG-JTQLQIEISA-N -1 3 292.314 3.213 20 0 CGADHM CC(C)C[C@@H](C(=O)[O-])N1CCc2[nH]c3ccccc3c2C1 ZINC000572249420 322327560 /nfs/dbraw/zinc/32/75/60/322327560.db2.gz JREAXOWARNSZDB-INIZCTEOSA-N -1 3 286.375 3.025 20 0 CGADHM CC[C@H](SC)C(=O)Nc1c([O-])cccc1Cl ZINC000575011148 322468453 /nfs/dbraw/zinc/46/84/53/322468453.db2.gz QOWFFCKWRYGENS-VIFPVBQESA-N -1 3 259.758 3.126 20 0 CGADHM C[C@H]1C[C@@H]1CC(=O)Nc1nnc(-c2cc3ccccc3o2)[n-]1 ZINC000583353136 327316534 /nfs/dbraw/zinc/31/65/34/327316534.db2.gz DRDZKRKZCPEJQY-GXSJLCMTSA-N -1 3 296.330 3.203 20 0 CGADHM C[C@H]1C[C@@H]1CC(=O)Nc1nc(-c2cc3ccccc3o2)n[n-]1 ZINC000583353136 327316535 /nfs/dbraw/zinc/31/65/35/327316535.db2.gz DRDZKRKZCPEJQY-GXSJLCMTSA-N -1 3 296.330 3.203 20 0 CGADHM C[C@H]1C[C@@H]1CC(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000583353136 327316536 /nfs/dbraw/zinc/31/65/36/327316536.db2.gz DRDZKRKZCPEJQY-GXSJLCMTSA-N -1 3 296.330 3.203 20 0 CGADHM [O-]c1cccnc1CN1CCSC[C@H]1c1ccccc1 ZINC000583051443 329303623 /nfs/dbraw/zinc/30/36/23/329303623.db2.gz PDCQKOOKCULTCD-HNNXBMFYSA-N -1 3 286.400 3.077 20 0 CGADHM Cc1ccc2ncc(C(=O)[O-])c(N3CCC[C@H](F)C3)c2c1 ZINC000583145987 329322388 /nfs/dbraw/zinc/32/23/88/329322388.db2.gz GILOZYNFOMRKAQ-NSHDSACASA-N -1 3 288.322 3.180 20 0 CGADHM Cc1ccc(C)c(C(=O)Nc2cc(F)ccc2[O-])c1 ZINC000174875312 335168273 /nfs/dbraw/zinc/16/82/73/335168273.db2.gz UIZMIUMPRVOWFG-UHFFFAOYSA-N -1 3 259.280 3.400 20 0 CGADHM COc1ccc(CCC(=O)Nc2cc(F)ccc2[O-])cc1 ZINC000174885789 335168519 /nfs/dbraw/zinc/16/85/19/335168519.db2.gz DPQVZKUZMXZKCX-UHFFFAOYSA-N -1 3 289.306 3.111 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])c1ccnc2ccccc21 ZINC000174903563 335169195 /nfs/dbraw/zinc/16/91/95/335169195.db2.gz GIJUBISCTTWTJC-UHFFFAOYSA-N -1 3 282.274 3.332 20 0 CGADHM CC(C)c1cc(C(=O)Nc2cc(Cl)ccc2[O-])n(C)n1 ZINC000175320911 335179829 /nfs/dbraw/zinc/17/98/29/335179829.db2.gz FJRDKUPAQGYIOZ-UHFFFAOYSA-N -1 3 293.754 3.155 20 0 CGADHM [O-]c1ccc(-c2noc(C3CC4(CCC4)C3)n2)cc1 ZINC000576466148 335207567 /nfs/dbraw/zinc/20/75/67/335207567.db2.gz QFSFAJLLLNYKOX-UHFFFAOYSA-N -1 3 256.305 3.490 20 0 CGADHM Cc1ccc(OC2CCN(Cc3ncccc3[O-])CC2)cc1 ZINC000576503627 335212117 /nfs/dbraw/zinc/21/21/17/335212117.db2.gz KJPJTFDLRPORFA-UHFFFAOYSA-N -1 3 298.386 3.139 20 0 CGADHM C[C@@H]1CC[C@@H](C(=O)Nc2c([O-])cccc2Cl)C1 ZINC000576528662 335215883 /nfs/dbraw/zinc/21/58/83/335215883.db2.gz ANLXJYJWKVDBPE-RKDXNWHRSA-N -1 3 253.729 3.420 20 0 CGADHM COc1ccc2c(c1)C[C@H](C)N(Cc1ncccc1[O-])[C@H]2C ZINC000576742488 335241994 /nfs/dbraw/zinc/24/19/94/335241994.db2.gz PYSYMAOVFJSQIY-STQMWFEESA-N -1 3 298.386 3.304 20 0 CGADHM CC1(C)[C@H](C(F)(F)F)CCN1Cc1ccc(C(=O)[O-])o1 ZINC000379933039 335274104 /nfs/dbraw/zinc/27/41/04/335274104.db2.gz AATXWBYCHCMUNH-SNVBAGLBSA-N -1 3 291.269 3.141 20 0 CGADHM CN(Cc1c(Cl)cccc1C(=O)[O-])C(C)(C)C ZINC000580574959 335288319 /nfs/dbraw/zinc/28/83/19/335288319.db2.gz RYORTEHYQKHYKH-UHFFFAOYSA-N -1 3 255.745 3.269 20 0 CGADHM Cc1ccc([C@H]2CCN([C@H](C)c3nc(C)cc(=O)[n-]3)C2)cc1 ZINC000577457469 335354355 /nfs/dbraw/zinc/35/43/55/335354355.db2.gz OUXBBYPWRGYKNQ-ZBFHGGJFSA-N -1 3 297.402 3.350 20 0 CGADHM CN(Cc1c(Cl)ccc2cccnc21)C(C)(C)C(=O)[O-] ZINC000577618383 335379536 /nfs/dbraw/zinc/37/95/36/335379536.db2.gz BWBWGAZUWPVLII-UHFFFAOYSA-N -1 3 292.766 3.183 20 0 CGADHM CCc1oc(C(=O)[O-])cc1CN(CCOC)C(CC)CC 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ZINC000181296509 335757379 /nfs/dbraw/zinc/75/73/79/335757379.db2.gz PMAITPBGBNXYHE-UHFFFAOYSA-N -1 3 286.640 3.405 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CC(C)(C)[C@H]3CCC[C@@H]32)c1 ZINC000381122921 336050985 /nfs/dbraw/zinc/05/09/85/336050985.db2.gz LZOVXSQTJRHBSB-KBPBESRZSA-N -1 3 273.376 3.351 20 0 CGADHM Cc1ccc(C)c(CN(C)Cc2ccoc2C(=O)[O-])c1 ZINC000582008693 336190655 /nfs/dbraw/zinc/19/06/55/336190655.db2.gz XOPWLITVXUWKHG-UHFFFAOYSA-N -1 3 273.332 3.227 20 0 CGADHM Cc1noc([N-]C(=O)[C@@H](C)OCc2ccc(C)cc2)c1C ZINC000636924931 501014636 /nfs/dbraw/zinc/01/46/36/501014636.db2.gz LAQWYOOVFXGWKI-CYBMUJFWSA-N -1 3 288.347 3.144 20 0 CGADHM C[C@H](CCC(=O)[O-])CNCc1cc(Cl)ccc1F ZINC000426641905 533796178 /nfs/dbraw/zinc/79/61/78/533796178.db2.gz CPGPBTOGYVOICD-SECBINFHSA-N -1 3 273.735 3.070 20 0 CGADHM Cc1cc(F)cc2c1CN(C(=O)c1ccccc1[O-])CC2 ZINC000436508293 533848427 /nfs/dbraw/zinc/84/84/27/533848427.db2.gz AFWQBDHFTXBLKY-UHFFFAOYSA-N -1 3 285.318 3.038 20 0 CGADHM COC(=O)c1ccc(-c2nc(-c3cc(C)cc(C)c3)no2)[n-]1 ZINC000426421576 533948037 /nfs/dbraw/zinc/94/80/37/533948037.db2.gz SHQGFDMCMIAUSA-UHFFFAOYSA-N -1 3 297.314 3.135 20 0 CGADHM CS[C@@H]1CCC[C@H](N=c2[n-]c(C(C)=O)c(C)s2)C1 ZINC000450342728 533953837 /nfs/dbraw/zinc/95/38/37/533953837.db2.gz UBPMUKUXSYVGSO-WDEREUQCSA-N -1 3 284.450 3.162 20 0 CGADHM Cc1cc(CN(C)C)cc(NC(=O)c2ccccc2[O-])c1 ZINC000156763054 534164855 /nfs/dbraw/zinc/16/48/55/534164855.db2.gz QQIBUUZIUOYKEK-UHFFFAOYSA-N -1 3 284.359 3.015 20 0 CGADHM Cc1ccc(C(=O)N2CC(C)(C)C[C@@H]2C)c([O-])c1C ZINC000412785409 534260485 /nfs/dbraw/zinc/26/04/85/534260485.db2.gz SJVSCNYQEDHURU-NSHDSACASA-N -1 3 261.365 3.270 20 0 CGADHM Cc1ccc(C(=O)N2CCOc3ccc(C)cc3C2)c([O-])c1 ZINC000436656510 534262321 /nfs/dbraw/zinc/26/23/21/534262321.db2.gz JAQRKNMMZMBBMD-UHFFFAOYSA-N -1 3 297.354 3.044 20 0 CGADHM CC(C)CN(C(=O)c1cccc([O-])c1)C1CCCC1 ZINC000094848800 519707589 /nfs/dbraw/zinc/70/75/89/519707589.db2.gz YALCXHCQXMFGBN-UHFFFAOYSA-N -1 3 261.365 3.433 20 0 CGADHM CC(C)c1nc(C[S@@](=O)c2ccc([O-])cc2)cs1 ZINC000108084404 519865404 /nfs/dbraw/zinc/86/54/04/519865404.db2.gz JVBGWDPOFHXOCI-SFHVURJKSA-N -1 3 281.402 3.280 20 0 CGADHM O=C([O-])Cc1ccccc1CNC/C=C\c1ccc(F)cc1 ZINC000426710510 534507746 /nfs/dbraw/zinc/50/77/46/534507746.db2.gz WRRFXLLPVRRPNP-ARJAWSKDSA-N -1 3 299.345 3.256 20 0 CGADHM O=C([O-])[C@@H](NCc1cccc2[nH]ccc21)c1cccc(F)c1 ZINC000426801912 534515967 /nfs/dbraw/zinc/51/59/67/534515967.db2.gz SZVXKUNOBVXSCD-INIZCTEOSA-N -1 3 298.317 3.223 20 0 CGADHM O=C([O-])c1cccc(CNCc2coc3ccccc23)c1 ZINC000426673218 534548684 /nfs/dbraw/zinc/54/86/84/534548684.db2.gz WMTNKYYFCGEXTC-UHFFFAOYSA-N -1 3 281.311 3.421 20 0 CGADHM Cc1cccc(-c2nc(-c3n[nH]c4ccccc43)no2)c1[O-] ZINC000436932771 534555858 /nfs/dbraw/zinc/55/58/58/534555858.db2.gz DVYFLXUXMDIDPN-UHFFFAOYSA-N -1 3 292.298 3.294 20 0 CGADHM CCCN(CCC)Cc1cc(C(=O)[O-])ccc1F ZINC000062750446 521648614 /nfs/dbraw/zinc/64/86/14/521648614.db2.gz YVNYMHFIZRIMKT-UHFFFAOYSA-N -1 3 253.317 3.146 20 0 CGADHM CCCn1ccc2cc(NC(=O)[N-]OCC)ccc21 ZINC000184003116 521657072 /nfs/dbraw/zinc/65/70/72/521657072.db2.gz VJKATWWRGLYNJY-UHFFFAOYSA-N -1 3 261.325 3.124 20 0 CGADHM Cc1cccc(C(=O)N2CCc3c2cc(F)cc3F)c1[O-] ZINC000192607648 534596727 /nfs/dbraw/zinc/59/67/27/534596727.db2.gz NDNDFBIVYDGGJK-UHFFFAOYSA-N -1 3 289.281 3.182 20 0 CGADHM Cc1cccc(C(=O)N2CC[C@H]2c2ccccc2)c1[O-] ZINC000436792388 534596808 /nfs/dbraw/zinc/59/68/08/534596808.db2.gz NQNIMWSEOFPSGX-HNNXBMFYSA-N -1 3 267.328 3.288 20 0 CGADHM Cc1cccc(C(=O)NC[C@H](C)c2ccccc2)c1[O-] ZINC000157472738 534607823 /nfs/dbraw/zinc/60/78/23/534607823.db2.gz JHYVIMIPMAFIIT-ZDUSSCGKSA-N -1 3 269.344 3.234 20 0 CGADHM CC[C@@H]1CCCC[C@@H]1OCC(=O)Nc1ccccc1[O-] ZINC000184494667 523205978 /nfs/dbraw/zinc/20/59/78/523205978.db2.gz SHNQEMXMLCBQNI-DOMZBBRYSA-N -1 3 277.364 3.316 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)NC[C@@H]1CCC[C@H]1C1CC1 ZINC000412479384 534699224 /nfs/dbraw/zinc/69/92/24/534699224.db2.gz RHYZOTCOLOAEBR-KBPBESRZSA-N 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-1 3 294.305 3.125 20 0 CGADHM CCO[C@@H](CNC(=O)c1cc(C)ccc1[O-])c1ccccc1 ZINC000436702652 527735043 /nfs/dbraw/zinc/73/50/43/527735043.db2.gz BCUYDOOXOCXIQM-KRWDZBQOSA-N -1 3 299.370 3.208 20 0 CGADHM CCC[C@@H]1CN(C(=O)c2ccc(C(C)C)cc2[O-])CCO1 ZINC000436538293 527784126 /nfs/dbraw/zinc/78/41/26/527784126.db2.gz UUVDOASYIZOCGV-CQSZACIVSA-N -1 3 291.391 3.157 20 0 CGADHM CCO[C@H](CCNC(=O)c1ccc([O-])c(CC)c1)C(C)C ZINC000436698977 528048456 /nfs/dbraw/zinc/04/84/56/528048456.db2.gz OKSLIZFDYGHHBQ-MRXNPFEDSA-N -1 3 293.407 3.136 20 0 CGADHM CCO[C@H](CCNC(=O)c1cc(CC)ccc1[O-])C(C)C ZINC000436842045 528048931 /nfs/dbraw/zinc/04/89/31/528048931.db2.gz WOADDSNZEKYWRK-MRXNPFEDSA-N -1 3 293.407 3.136 20 0 CGADHM CC(C)c1ccc(C(=O)N(C)C[C@@H]2CCCCO2)c([O-])c1 ZINC000436688809 528059257 /nfs/dbraw/zinc/05/92/57/528059257.db2.gz MFZZZTFWMIPONC-AWEZNQCLSA-N -1 3 291.391 3.157 20 0 CGADHM CC(C)c1ccc(C(=O)N[C@@H](C)[C@H]2CCCCO2)c([O-])c1 ZINC000436878705 528075370 /nfs/dbraw/zinc/07/53/70/528075370.db2.gz HEODADUPVXKOIN-BLLLJJGKSA-N -1 3 291.391 3.203 20 0 CGADHM CC(C)c1cccc(CNC(=O)c2ccc(O)cc2[O-])c1 ZINC000436945651 528170738 /nfs/dbraw/zinc/17/07/38/528170738.db2.gz BEEILISBGRDQMZ-UHFFFAOYSA-N -1 3 285.343 3.151 20 0 CGADHM CC1CCC(CC(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000359872144 528177022 /nfs/dbraw/zinc/17/70/22/528177022.db2.gz JEXASJPESKONAO-UHFFFAOYSA-N -1 3 299.378 3.022 20 0 CGADHM CC1CCC(CC(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000359872144 528177029 /nfs/dbraw/zinc/17/70/29/528177029.db2.gz JEXASJPESKONAO-UHFFFAOYSA-N -1 3 299.378 3.022 20 0 CGADHM CCCNC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436614237 528442844 /nfs/dbraw/zinc/44/28/44/528442844.db2.gz VKZFYFAFQACZOZ-UHFFFAOYSA-N -1 3 269.344 3.123 20 0 CGADHM CCCc1cc(=O)[n-]c(C(=Cc2ccc(O)cc2)CC)n1 ZINC000436964360 528568306 /nfs/dbraw/zinc/56/83/06/528568306.db2.gz FVYMUUFEUNXATE-JLHYYAGUSA-N -1 3 284.359 3.379 20 0 CGADHM CCCc1cc(=O)[n-]c(C(=Cc2cc(C)n(C)n2)CC)n1 ZINC000414077493 528613838 /nfs/dbraw/zinc/61/38/38/528613838.db2.gz PUYCAXYJZJAYRY-XFXZXTDPSA-N -1 3 286.379 3.127 20 0 CGADHM CC(C)[C@@H]1CCC[C@@H](NC(=O)c2ccc(O)cc2[O-])C1 ZINC000436597091 528680411 /nfs/dbraw/zinc/68/04/11/528680411.db2.gz SYLLJVZGWLRVPJ-VXGBXAGGSA-N -1 3 277.364 3.042 20 0 CGADHM CC(C)[C@H](C(=O)[O-])[C@@H](C)NCc1csc(C(C)(C)C)n1 ZINC000424620191 528930478 /nfs/dbraw/zinc/93/04/78/528930478.db2.gz MONOSVVJOMMAJO-PWSUYJOCSA-N -1 3 298.452 3.276 20 0 CGADHM CCN(C(=O)c1ccc([O-])c(C)c1)c1cccc(OC)c1 ZINC000436921947 529084311 /nfs/dbraw/zinc/08/43/11/529084311.db2.gz LEPIICUKQXCHNG-UHFFFAOYSA-N -1 3 285.343 3.376 20 0 CGADHM CC[C@H]1CN(C(=O)c2ccc(C(C)C)cc2[O-])C[C@H](C)O1 ZINC000436542534 529282269 /nfs/dbraw/zinc/28/22/69/529282269.db2.gz CYSMTLZGKYTEES-JSGCOSHPSA-N -1 3 291.391 3.155 20 0 CGADHM CC[C@H](C)n1nc(C(=O)Nc2ccc(C)cc2[O-])cc1C ZINC000436893032 529286954 /nfs/dbraw/zinc/28/69/54/529286954.db2.gz LZIPQZRDEBCXHT-NSHDSACASA-N -1 3 287.363 3.429 20 0 CGADHM CC(C)(CNC(=O)c1c[n-]nc1-c1ccccn1)C1CCC1 ZINC000516397243 535139076 /nfs/dbraw/zinc/13/90/76/535139076.db2.gz QSOPPSQOBNQAQU-UHFFFAOYSA-N -1 3 298.390 3.028 20 0 CGADHM CCc1cc(C(=O)N2CC[C@@H](C(C)(C)C)C2)ccc1[O-] ZINC000486999352 536112408 /nfs/dbraw/zinc/11/24/08/536112408.db2.gz MHMITHXQJJDEKC-CQSZACIVSA-N -1 3 275.392 3.463 20 0 CGADHM CCc1cc(C(=O)Nc2cc(C)cc(C)n2)ccc1[O-] ZINC000486984689 536133798 /nfs/dbraw/zinc/13/37/98/536133798.db2.gz SZZODYDRNQIXED-UHFFFAOYSA-N -1 3 270.332 3.219 20 0 CGADHM CCc1ccc(C(=O)N(C)[C@@H](C)c2ccccn2)c([O-])c1 ZINC000190554366 536164334 /nfs/dbraw/zinc/16/43/34/536164334.db2.gz QRAZCSSHJAGUAH-LBPRGKRZSA-N -1 3 284.359 3.183 20 0 CGADHM COc1cccc(C)c1[N-]S(=O)(=O)CCC(C)(C)C ZINC000517267731 537097004 /nfs/dbraw/zinc/09/70/04/537097004.db2.gz HYSYOKUJSVHBQI-UHFFFAOYSA-N -1 3 285.409 3.182 20 0 CGADHM CCC1(C(=O)[N-]OCc2ccc(C(F)(F)F)cc2)CC1 ZINC000747159978 572914785 /nfs/dbraw/zinc/91/47/85/572914785.db2.gz XOCDYCFWALRWEX-UHFFFAOYSA-N -1 3 287.281 3.443 20 0 CGADHM CSc1ccc(C(=O)[N-]c2cc(C(F)(F)F)no2)o1 ZINC000748357517 572975100 /nfs/dbraw/zinc/97/51/00/572975100.db2.gz VSDNQCDHIWTXIH-UHFFFAOYSA-N -1 3 292.238 3.261 20 0 CGADHM CCCCCC[C@H](C)OC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000729080010 571867458 /nfs/dbraw/zinc/86/74/58/571867458.db2.gz WDEOIBFDKZPVFR-NSHDSACASA-N -1 3 294.395 3.244 20 0 CGADHM CC(C)C[C@H](C)OC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000729081582 571868731 /nfs/dbraw/zinc/86/87/31/571868731.db2.gz JTFBXYBFRSJLDN-JTQLQIEISA-N -1 3 262.309 3.261 20 0 CGADHM CC(C)C[C@H](C)OC(=O)c1cc(-c2ccco2)[n-]n1 ZINC000729081582 571868736 /nfs/dbraw/zinc/86/87/36/571868736.db2.gz JTFBXYBFRSJLDN-JTQLQIEISA-N -1 3 262.309 3.261 20 0 CGADHM Cc1ccc(CN(C)[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC000738593887 571899183 /nfs/dbraw/zinc/89/91/83/571899183.db2.gz FADQTVZYZKQKIV-MRXNPFEDSA-N -1 3 287.334 3.392 20 0 CGADHM COc1c(F)cc(F)cc1NC(=O)c1cc2occc2[n-]1 ZINC000750913299 572335313 /nfs/dbraw/zinc/33/53/13/572335313.db2.gz GCKVSGIWXTUGGJ-UHFFFAOYSA-N -1 3 292.241 3.300 20 0 CGADHM Cc1cccc2c1CC[C@@H]2Nc1ccc(-c2nnn[n-]2)cc1 ZINC000737408123 572340431 /nfs/dbraw/zinc/34/04/31/572340431.db2.gz GHEBRCLAFXTQOL-INIZCTEOSA-N -1 3 291.358 3.275 20 0 CGADHM Cc1cccc2c1CC[C@@H]2Nc1ccc(-c2nn[n-]n2)cc1 ZINC000737408123 572340435 /nfs/dbraw/zinc/34/04/35/572340435.db2.gz GHEBRCLAFXTQOL-INIZCTEOSA-N -1 3 291.358 3.275 20 0 CGADHM Cc1cccc2c1CC[C@H]2N[C@@H](C(=O)[O-])c1ccccc1 ZINC000738310124 572370571 /nfs/dbraw/zinc/37/05/71/572370571.db2.gz BSXBUMBRVUSRFE-IAGOWNOFSA-N -1 3 281.355 3.398 20 0 CGADHM C[C@H](CCNCc1ccc(-c2ccccc2)o1)NC(=O)[O-] ZINC000738903962 572396847 /nfs/dbraw/zinc/39/68/47/572396847.db2.gz HTHZWFFYIAKCKJ-GFCCVEGCSA-N -1 3 288.347 3.082 20 0 CGADHM C[C@@H](NC1CCC(NC(=O)[O-])CC1)c1c(F)cccc1F ZINC000739034211 572413488 /nfs/dbraw/zinc/41/34/88/572413488.db2.gz VWPFGMHAPPKGAD-KPPDAEKUSA-N -1 3 298.333 3.194 20 0 CGADHM Cc1ccccc1CO[N-]C(=O)CCOc1ccccc1 ZINC000731841757 572429419 /nfs/dbraw/zinc/42/94/19/572429419.db2.gz NGLIHHLNOJQRSK-UHFFFAOYSA-N -1 3 285.343 3.012 20 0 CGADHM O=C([O-])c1cc(F)ccc1CN1CC[C@@H](c2ccco2)C1 ZINC000740077178 572431015 /nfs/dbraw/zinc/43/10/15/572431015.db2.gz COJIDRUVLFNGJX-GFCCVEGCSA-N -1 3 289.306 3.106 20 0 CGADHM CC[C@H]1C[C@@H](C)CN1Cn1[n-]c(C(C)(C)C)nc1=S ZINC000744439594 572451670 /nfs/dbraw/zinc/45/16/70/572451670.db2.gz AACVUFYMCVARQK-MNOVXSKESA-N -1 3 282.457 3.316 20 0 CGADHM O=c1ccnc(C=Cc2ccccc2C(F)(F)F)[n-]1 ZINC000742221514 572559060 /nfs/dbraw/zinc/55/90/60/572559060.db2.gz MPSFAZMNUAUMSY-AATRIKPKSA-N -1 3 266.222 3.371 20 0 CGADHM CC(C)[C@@H]1CCCCN1c1cccc(F)c1-c1nnn[n-]1 ZINC000735750039 572740672 /nfs/dbraw/zinc/74/06/72/572740672.db2.gz PAIIJPXZASYGMH-LBPRGKRZSA-N -1 3 289.358 3.021 20 0 CGADHM CC(C)[C@@H]1CCCCN1c1cccc(F)c1-c1nn[n-]n1 ZINC000735750039 572740677 /nfs/dbraw/zinc/74/06/77/572740677.db2.gz PAIIJPXZASYGMH-LBPRGKRZSA-N -1 3 289.358 3.021 20 0 CGADHM CC(C)=CCN[C@H](C(=O)[O-])c1ccccc1C(F)(F)F ZINC000736343313 572782663 /nfs/dbraw/zinc/78/26/63/572782663.db2.gz FCWCXLKBSWWVTP-LBPRGKRZSA-N -1 3 287.281 3.387 20 0 CGADHM CCCCN(CC)c1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000736457440 572794757 /nfs/dbraw/zinc/79/47/57/572794757.db2.gz VEEPJEIADFNEJJ-UHFFFAOYSA-N -1 3 296.378 3.041 20 0 CGADHM CCCCN(CC)c1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000736457440 572794763 /nfs/dbraw/zinc/79/47/63/572794763.db2.gz VEEPJEIADFNEJJ-UHFFFAOYSA-N -1 3 296.378 3.041 20 0 CGADHM Cc1ccc(CCOC(=O)c2ccc([O-])cc2)cc1 ZINC000736739747 572807772 /nfs/dbraw/zinc/80/77/72/572807772.db2.gz YYVOSZKZZBJQBQ-UHFFFAOYSA-N -1 3 256.301 3.100 20 0 CGADHM O=C(Nc1cccc(Sc2ccccc2)c1)c1nc[n-]n1 ZINC000746166546 572858889 /nfs/dbraw/zinc/85/88/89/572858889.db2.gz FHXIQJCPDXNWGX-UHFFFAOYSA-N -1 3 296.355 3.208 20 0 CGADHM COc1ccccc1N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737152004 572863672 /nfs/dbraw/zinc/86/36/72/572863672.db2.gz JFCYZNFRUGKBTE-LLVKDONJSA-N -1 3 295.346 3.048 20 0 CGADHM COc1ccccc1N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737152004 572863674 /nfs/dbraw/zinc/86/36/74/572863674.db2.gz JFCYZNFRUGKBTE-LLVKDONJSA-N -1 3 295.346 3.048 20 0 CGADHM CCCCC[C@@H](C)[N-]S(=O)(=O)c1sc(C)nc1C ZINC000748674947 572981996 /nfs/dbraw/zinc/98/19/96/572981996.db2.gz JOCJWVJVIIBTKC-SECBINFHSA-N -1 3 290.454 3.007 20 0 CGADHM CC(C)Oc1ccccc1CC(=O)[N-]OCc1ccccc1 ZINC000748698605 572982484 /nfs/dbraw/zinc/98/24/84/572982484.db2.gz AOLRKBPXUXGENM-UHFFFAOYSA-N -1 3 299.370 3.264 20 0 CGADHM Cc1csc(COC(=O)c2ccc(Cl)cc2[O-])n1 ZINC000748802007 572984522 /nfs/dbraw/zinc/98/45/22/572984522.db2.gz RKYLWPLDTHMNLJ-UHFFFAOYSA-N -1 3 283.736 3.168 20 0 CGADHM CC(C)[C@@H]1CCC[C@@H]([N-]C(=O)C(F)(F)C(F)F)C1 ZINC000749379931 572995208 /nfs/dbraw/zinc/99/52/08/572995208.db2.gz QKUNXZZFPBXSBD-RKDXNWHRSA-N -1 3 269.282 3.218 20 0 CGADHM Cc1cccc(C(C)(C)[N-]C(=O)C(F)(F)C(F)F)c1 ZINC000749397637 572999169 /nfs/dbraw/zinc/99/91/69/572999169.db2.gz TZBPMITVSSULJS-UHFFFAOYSA-N -1 3 277.261 3.247 20 0 CGADHM CC1(C)CCCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000820594811 599037886 /nfs/dbraw/zinc/03/78/86/599037886.db2.gz CQIAPNQDLZRZBG-UHFFFAOYSA-N -1 3 289.358 3.022 20 0 CGADHM c1ccc(CCSc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000823779978 599126103 /nfs/dbraw/zinc/12/61/03/599126103.db2.gz MRNJTKGSFRRKJH-UHFFFAOYSA-N -1 3 282.372 3.202 20 0 CGADHM c1ccc(CCSc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000823779978 599126104 /nfs/dbraw/zinc/12/61/04/599126104.db2.gz MRNJTKGSFRRKJH-UHFFFAOYSA-N -1 3 282.372 3.202 20 0 CGADHM O=C([O-])c1ccc(CNCc2cncc3ccccc32)cc1 ZINC000756280808 597332673 /nfs/dbraw/zinc/33/26/73/597332673.db2.gz FWMKJXCDNRTYOT-UHFFFAOYSA-N -1 3 292.338 3.223 20 0 CGADHM CCCc1ccccc1NCc1cc(-c2nnn[n-]2)cs1 ZINC000821143487 607308018 /nfs/dbraw/zinc/30/80/18/607308018.db2.gz WCEDYTKKNAAKKH-UHFFFAOYSA-N -1 3 299.403 3.493 20 0 CGADHM CCCc1ccccc1NCc1cc(-c2nn[n-]n2)cs1 ZINC000821143487 607308019 /nfs/dbraw/zinc/30/80/19/607308019.db2.gz WCEDYTKKNAAKKH-UHFFFAOYSA-N -1 3 299.403 3.493 20 0 CGADHM Clc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737573336 598753340 /nfs/dbraw/zinc/75/33/40/598753340.db2.gz KBAGOFZEMIWDLA-UHFFFAOYSA-N -1 3 286.722 3.099 20 0 CGADHM Clc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737573336 598753342 /nfs/dbraw/zinc/75/33/42/598753342.db2.gz KBAGOFZEMIWDLA-UHFFFAOYSA-N -1 3 286.722 3.099 20 0 CGADHM Fc1ccc(NC/C=C\c2ccccc2)c(-c2nnn[n-]2)c1 ZINC000822779258 599556200 /nfs/dbraw/zinc/55/62/00/599556200.db2.gz SLGWFAUAILZBEH-DAXSKMNVSA-N -1 3 295.321 3.131 20 0 CGADHM Fc1ccc(NC/C=C\c2ccccc2)c(-c2nn[n-]n2)c1 ZINC000822779258 599556201 /nfs/dbraw/zinc/55/62/01/599556201.db2.gz SLGWFAUAILZBEH-DAXSKMNVSA-N -1 3 295.321 3.131 20 0 CGADHM CC[C@H]1CCCN(c2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000820979656 599561387 /nfs/dbraw/zinc/56/13/87/599561387.db2.gz IZQNBXRUHSSISM-NSHDSACASA-N -1 3 289.358 3.022 20 0 CGADHM CC[C@H]1CCCN(c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000820979656 599561390 /nfs/dbraw/zinc/56/13/90/599561390.db2.gz IZQNBXRUHSSISM-NSHDSACASA-N -1 3 289.358 3.022 20 0 CGADHM O=C([O-])c1cccc(CN2CC[C@H]2c2ccccc2)c1 ZINC000833328800 601008494 /nfs/dbraw/zinc/00/84/94/601008494.db2.gz SRIISEOHFNHXFF-INIZCTEOSA-N -1 3 267.328 3.332 20 0 CGADHM C/C(=C/CN1CCCC[C@@H]1c1ccc(F)cc1)C(=O)[O-] ZINC000825740874 601451943 /nfs/dbraw/zinc/45/19/43/601451943.db2.gz CPZWENZNBHJGES-HMVFGEFZSA-N -1 3 277.339 3.384 20 0 CGADHM O=C([O-])[C@@H]1c2ccccc2CCN1Cc1ccccc1F ZINC000043594142 601546034 /nfs/dbraw/zinc/54/60/34/601546034.db2.gz QBXNOGCJUYNKTE-INIZCTEOSA-N -1 3 285.318 3.010 20 0 CGADHM CN(Cc1ccsc1C(=O)[O-])Cc1ccccc1 ZINC000110955110 601803158 /nfs/dbraw/zinc/80/31/58/601803158.db2.gz UHUDKULCXNAQCP-UHFFFAOYSA-N -1 3 261.346 3.078 20 0 CGADHM CC(C)=CCN(C)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000826647605 601901962 /nfs/dbraw/zinc/90/19/62/601901962.db2.gz HLWBVVHXHKXFFZ-ZDUSSCGKSA-N -1 3 287.281 3.128 20 0 CGADHM CCCCc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000825296466 607644169 /nfs/dbraw/zinc/64/41/69/607644169.db2.gz KJNRCEXBUABYRM-UHFFFAOYSA-N -1 3 285.376 3.333 20 0 CGADHM CCCCc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000825296466 607644171 /nfs/dbraw/zinc/64/41/71/607644171.db2.gz KJNRCEXBUABYRM-UHFFFAOYSA-N -1 3 285.376 3.333 20 0 CGADHM Cc1[n-]n(CCCOCc2ccccc2)c(=O)c1C(C)C ZINC000899358236 620664913 /nfs/dbraw/zinc/66/49/13/620664913.db2.gz SUNXDTMCGDKCSA-MRXNPFEDSA-N -1 3 288.391 3.084 20 0 CGADHM C[C@H](N[C@@H]1CCCN(C(=O)[O-])C1)c1cc2ccccc2o1 ZINC000827717303 604292572 /nfs/dbraw/zinc/29/25/72/604292572.db2.gz GEYLULGMQGROME-WCQYABFASA-N -1 3 288.347 3.226 20 0 CGADHM C[C@@H](N[C@H]1CCCN(C(=O)[O-])C1)c1ccc2ccccc2n1 ZINC000825478538 604330305 /nfs/dbraw/zinc/33/03/05/604330305.db2.gz HPXGWMUNUFCHAR-OCCSQVGLSA-N -1 3 299.374 3.028 20 0 CGADHM CC(C)C[C@@H](NC[C@@H](NC(=O)[O-])C(C)C)c1ccccn1 ZINC000824218181 604333161 /nfs/dbraw/zinc/33/31/61/604333161.db2.gz LGABTBRHSFXOCQ-HUUCEWRRSA-N -1 3 293.411 3.051 20 0 CGADHM C[C@H]1CN(Cc2cc(Cl)cc(Cl)c2)C[C@H]1C(=O)[O-] ZINC000251880421 604667792 /nfs/dbraw/zinc/66/77/92/604667792.db2.gz USNNMEITOMYBPF-QPUJVOFHSA-N -1 3 288.174 3.146 20 0 CGADHM C/C(=C/CN1CC=C(c2cccc(C)c2)CC1)C(=O)[O-] ZINC000833381925 604848915 /nfs/dbraw/zinc/84/89/15/604848915.db2.gz FSWAKDBJONQUQN-NSIKDUERSA-N -1 3 271.360 3.115 20 0 CGADHM C[C@@H](N[C@@H](C(=O)[O-])c1cccnc1)c1cccc(Cl)c1 ZINC000827717969 604985267 /nfs/dbraw/zinc/98/52/67/604985267.db2.gz NGVGWBHBOAKGSB-QMTHXVAHSA-N -1 3 290.750 3.212 20 0 CGADHM Cc1ccc([C@H](C)N[C@H](C(=O)[O-])c2cccnc2)cc1F ZINC000832921486 605007678 /nfs/dbraw/zinc/00/76/78/605007678.db2.gz RLGQOWWVEVTTJB-NHYWBVRUSA-N -1 3 288.322 3.006 20 0 CGADHM CCc1cnccc1[C@@H](C)N[C@@H](C(=O)[O-])c1ccccc1 ZINC000833674844 605270674 /nfs/dbraw/zinc/27/06/74/605270674.db2.gz VASPKRFDNYKLCQ-MLGOLLRUSA-N -1 3 284.359 3.121 20 0 CGADHM O=C([O-])c1cc(CN2CCC[C@@H]2/C=C\c2ccccc2)c[nH]1 ZINC000833780118 605731579 /nfs/dbraw/zinc/73/15/79/605731579.db2.gz QYNMPEJKWZWVCO-HLRDLLSLSA-N -1 3 296.370 3.391 20 0 CGADHM CC(C)C[C@H](C)Nc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000824229601 608233921 /nfs/dbraw/zinc/23/39/21/608233921.db2.gz SOONEPFOXXTWLD-NSHDSACASA-N -1 3 296.378 3.261 20 0 CGADHM CC(C)C[C@H](C)Nc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000824229601 608233922 /nfs/dbraw/zinc/23/39/22/608233922.db2.gz SOONEPFOXXTWLD-NSHDSACASA-N -1 3 296.378 3.261 20 0 CGADHM CC[C@@H](C)CSCc1cccc(-c2nnn[n-]2)c1F ZINC000825068448 608398722 /nfs/dbraw/zinc/39/87/22/608398722.db2.gz RUDVUAOFGHRKBJ-SECBINFHSA-N -1 3 280.372 3.285 20 0 CGADHM CC[C@@H](C)CSCc1cccc(-c2nn[n-]n2)c1F ZINC000825068448 608398724 /nfs/dbraw/zinc/39/87/24/608398724.db2.gz RUDVUAOFGHRKBJ-SECBINFHSA-N -1 3 280.372 3.285 20 0 CGADHM CSCCS[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826228837 608404049 /nfs/dbraw/zinc/40/40/49/608404049.db2.gz CMTXSTWITJMTBS-VIFPVBQESA-N -1 3 280.422 3.024 20 0 CGADHM CSCCS[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826228837 608404050 /nfs/dbraw/zinc/40/40/50/608404050.db2.gz CMTXSTWITJMTBS-VIFPVBQESA-N -1 3 280.422 3.024 20 0 CGADHM Cc1cccc(NCc2cccc(-c3nnn[n-]3)c2F)c1C ZINC000826299497 608479035 /nfs/dbraw/zinc/47/90/35/608479035.db2.gz HQLQDLGTJRKHBK-UHFFFAOYSA-N -1 3 297.337 3.235 20 0 CGADHM Cc1cccc(NCc2cccc(-c3nn[n-]n3)c2F)c1C ZINC000826299497 608479037 /nfs/dbraw/zinc/47/90/37/608479037.db2.gz HQLQDLGTJRKHBK-UHFFFAOYSA-N -1 3 297.337 3.235 20 0 CGADHM c1cc(-c2nnn[n-]2)c(N[C@@H]2CC[C@H]3CCCC[C@H]3C2)cn1 ZINC000826513004 608770316 /nfs/dbraw/zinc/77/03/16/608770316.db2.gz WVZNKOOUSNAGOO-FRRDWIJNSA-N -1 3 298.394 3.033 20 0 CGADHM c1cc(-c2nn[n-]n2)c(N[C@@H]2CC[C@H]3CCCC[C@H]3C2)cn1 ZINC000826513004 608770319 /nfs/dbraw/zinc/77/03/19/608770319.db2.gz WVZNKOOUSNAGOO-FRRDWIJNSA-N -1 3 298.394 3.033 20 0 CGADHM Cc1cccc([C@@H](C)Nc2cnccc2-c2nnn[n-]2)c1C ZINC000826295872 608784625 /nfs/dbraw/zinc/78/46/25/608784625.db2.gz BLSADDQANFPESZ-GFCCVEGCSA-N -1 3 294.362 3.052 20 0 CGADHM Cc1cccc([C@@H](C)Nc2cnccc2-c2nn[n-]n2)c1C ZINC000826295872 608784626 /nfs/dbraw/zinc/78/46/26/608784626.db2.gz BLSADDQANFPESZ-GFCCVEGCSA-N -1 3 294.362 3.052 20 0 CGADHM Cc1ccc(N(C)Cc2ccc(-c3nnn[n-]3)s2)c(C)c1 ZINC000826289630 609203190 /nfs/dbraw/zinc/20/31/90/609203190.db2.gz HIYHLIRSXRSMJA-UHFFFAOYSA-N -1 3 299.403 3.181 20 0 CGADHM CCCc1ccc(NCc2ccccc2-c2nnn[n-]2)cc1 ZINC000825348390 609238604 /nfs/dbraw/zinc/23/86/04/609238604.db2.gz INCGRHIIWAAXEJ-UHFFFAOYSA-N -1 3 293.374 3.431 20 0 CGADHM CCCc1ccc(NCc2ccccc2-c2nn[n-]n2)cc1 ZINC000825348390 609238606 /nfs/dbraw/zinc/23/86/06/609238606.db2.gz INCGRHIIWAAXEJ-UHFFFAOYSA-N -1 3 293.374 3.431 20 0 CGADHM Cc1cc(F)ccc1N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826268933 609267316 /nfs/dbraw/zinc/26/73/16/609267316.db2.gz TZYCIHQCVXGIGU-LLVKDONJSA-N -1 3 297.337 3.487 20 0 CGADHM Cc1cc(F)ccc1N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826268933 609267319 /nfs/dbraw/zinc/26/73/19/609267319.db2.gz TZYCIHQCVXGIGU-LLVKDONJSA-N -1 3 297.337 3.487 20 0 CGADHM COc1ccc(-c2nnn[n-]2)cc1NC1CCCCCC1 ZINC000826186457 609481203 /nfs/dbraw/zinc/48/12/03/609481203.db2.gz SYEAOTQTJPCLSQ-UHFFFAOYSA-N -1 3 287.367 3.010 20 0 CGADHM COc1ccc(-c2nn[n-]n2)cc1NC1CCCCCC1 ZINC000826186457 609481205 /nfs/dbraw/zinc/48/12/05/609481205.db2.gz SYEAOTQTJPCLSQ-UHFFFAOYSA-N -1 3 287.367 3.010 20 0 CGADHM CCCc1nc(C(=O)[N-]c2ccnc(Cl)c2F)co1 ZINC000891511480 618234775 /nfs/dbraw/zinc/23/47/75/618234775.db2.gz WDRJMSZABVICDQ-UHFFFAOYSA-N -1 3 283.690 3.067 20 0 CGADHM Cc1ccc(OCCC(=O)[N-]OCc2ccccc2)c(C)c1 ZINC000309575378 618743237 /nfs/dbraw/zinc/74/32/37/618743237.db2.gz JOJZLHJKZNRLME-UHFFFAOYSA-N -1 3 299.370 3.320 20 0 CGADHM C[C@@H]1CC(/N=C/c2cc(Cl)ccc2[O-])C[C@@H](C)O1 ZINC000162454875 618880027 /nfs/dbraw/zinc/88/00/27/618880027.db2.gz VYOHERBOOCNLTQ-OFNOFRFJSA-N -1 3 267.756 3.421 20 0 CGADHM COc1cccc(C[C@H](C)CC(=O)[N-]OC/C=C\Cl)c1 ZINC000936059661 618932655 /nfs/dbraw/zinc/93/26/55/618932655.db2.gz NTLBQHOBGTWPBQ-KMSCOEIWSA-N -1 3 297.782 3.064 20 0 CGADHM O=C1[N-]C(=O)C(=Cc2cc(Cl)cc(Cl)c2)S1 ZINC000115662449 619022528 /nfs/dbraw/zinc/02/25/28/619022528.db2.gz FLVPHWLHRTVQAG-FPYGCLRLSA-N -1 3 274.128 3.317 20 0 CGADHM CC1(C)CC[C@@H](COC(=O)c2cc(Cl)c(Cl)[n-]2)O1 ZINC000190653991 619101596 /nfs/dbraw/zinc/10/15/96/619101596.db2.gz DYIGIVPOLAOOND-ZETCQYMHSA-N -1 3 292.162 3.436 20 0 CGADHM C[C@@H](CN[C@@H](C)c1ncc(C(=O)[O-])s1)c1ccccc1 ZINC000314676011 619234746 /nfs/dbraw/zinc/23/47/46/619234746.db2.gz QMUDBZUUHHVPCA-QWRGUYRKSA-N -1 3 290.388 3.296 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])c1ccnc(Cl)c1 ZINC000067138963 619376087 /nfs/dbraw/zinc/37/60/87/619376087.db2.gz PVFIAIIQWYGQJB-UHFFFAOYSA-N -1 3 283.114 3.346 20 0 CGADHM [O-]c1ccc(CN2CCOCc3ccccc32)cc1F ZINC000894529273 619564415 /nfs/dbraw/zinc/56/44/15/619564415.db2.gz FPHANJDZLSWQNX-UHFFFAOYSA-N -1 3 273.307 3.068 20 0 CGADHM Cc1ccc(C(=O)Nc2nn(C(C)C)cc2Cl)c([O-])c1 ZINC000894887887 619668977 /nfs/dbraw/zinc/66/89/77/619668977.db2.gz IYOYRZZBFSLKLQ-UHFFFAOYSA-N -1 3 293.754 3.384 20 0 CGADHM CCc1ccc(-c2nc(CCCCF)no2)c([O-])c1 ZINC000897205056 620160599 /nfs/dbraw/zinc/16/05/99/620160599.db2.gz FOSSXBLQRKQWFO-UHFFFAOYSA-N -1 3 264.300 3.297 20 0 CGADHM O=C(C[C@H]1CCC2(CCC2)CO1)[N-]OC1CCCCC1 ZINC000897455553 620339547 /nfs/dbraw/zinc/33/95/47/620339547.db2.gz PQBBQPNARDWESC-CQSZACIVSA-N -1 3 281.396 3.106 20 0 CGADHM CC[C@@H](CC(=O)[N-]OCc1cccc(C)n1)C(C)C ZINC000898935791 620610856 /nfs/dbraw/zinc/61/08/56/620610856.db2.gz KUCPYDOEUXAVPB-ZDUSSCGKSA-N -1 3 264.369 3.010 20 0 CGADHM CCC[C@@H](C)CN1CCc2c(C(=O)[O-])ccc(OC)c2C1 ZINC000901551649 620936401 /nfs/dbraw/zinc/93/64/01/620936401.db2.gz IHLCNOQVMFPUOC-GFCCVEGCSA-N -1 3 291.391 3.188 20 0 CGADHM CCN(CCC(=O)[O-])Cc1ccc(Oc2ccccc2)o1 ZINC000901605044 620950512 /nfs/dbraw/zinc/95/05/12/620950512.db2.gz KZYDIIHLWFESFH-UHFFFAOYSA-N -1 3 289.331 3.369 20 0 CGADHM C[C@@H](Cc1ccsc1)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000901646171 620960516 /nfs/dbraw/zinc/96/05/16/620960516.db2.gz JUXLPTGGRPBZDG-NSHDSACASA-N -1 3 287.384 3.393 20 0 CGADHM CCC[C@H](CC)S(=O)(=O)[N-]c1cnn(C2CCCC2)c1 ZINC000901765027 621025066 /nfs/dbraw/zinc/02/50/66/621025066.db2.gz BBLKQQPEZYVVMV-AWEZNQCLSA-N -1 3 299.440 3.319 20 0 CGADHM Cc1cc(CN[C@@H](C(=O)[O-])c2ccc(F)c(C)c2)cs1 ZINC000901841354 621044522 /nfs/dbraw/zinc/04/45/22/621044522.db2.gz DLZRXSARQHJCMW-CQSZACIVSA-N -1 3 293.363 3.420 20 0 CGADHM O=C([O-])CCN(Cc1cnc(C2CCCC2)s1)C1CC1 ZINC000901971867 621084221 /nfs/dbraw/zinc/08/42/21/621084221.db2.gz NBCVVNYWGAFGGN-UHFFFAOYSA-N -1 3 294.420 3.240 20 0 CGADHM CSCCNCc1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC000902075593 621127471 /nfs/dbraw/zinc/12/74/71/621127471.db2.gz YLGULYBIDIWIJQ-UHFFFAOYSA-N -1 3 291.372 3.097 20 0 CGADHM CC(C)(CCN[C@@H](c1ccco1)c1ccccc1)C(=O)[O-] ZINC000902083673 621129171 /nfs/dbraw/zinc/12/91/71/621129171.db2.gz YVCVFVYSKOXLHU-OAHLLOKOSA-N -1 3 287.359 3.460 20 0 CGADHM Cc1cccc(CNCc2ccc(O[C@@H](C)C(=O)[O-])cc2)c1 ZINC000902102017 621136348 /nfs/dbraw/zinc/13/63/48/621136348.db2.gz XGYWCWRIRSCPIK-AWEZNQCLSA-N -1 3 299.370 3.137 20 0 CGADHM CC[C@@H](NCc1cccc(C(=O)[O-])n1)c1ccc(C)cc1 ZINC000902212581 621186308 /nfs/dbraw/zinc/18/63/08/621186308.db2.gz CANJEFOAJHKEAX-OAHLLOKOSA-N -1 3 284.359 3.329 20 0 CGADHM C[C@@H]1C[C@H](N[C@H](CF)c2ccc(F)cc2)CC[C@H]1C(=O)[O-] ZINC000902191454 621188583 /nfs/dbraw/zinc/18/85/83/621188583.db2.gz UOFJHRBXAWIUEC-JUDXGUMMSA-N -1 3 297.345 3.315 20 0 CGADHM CCc1cnc(CN[C@@H](C)CC(C)(C)CC(=O)[O-])s1 ZINC000902342705 621254749 /nfs/dbraw/zinc/25/47/49/621254749.db2.gz QMFQYLATENETCQ-JTQLQIEISA-N -1 3 284.425 3.075 20 0 CGADHM Cc1cc(=O)[n-]c(CSC[C@H]2C[C@@H]3[C@H](C2)C3(F)F)n1 ZINC000902343530 621255835 /nfs/dbraw/zinc/25/58/35/621255835.db2.gz RNKYFCPJTJDDFI-ILWJIGKKSA-N -1 3 286.347 3.015 20 0 CGADHM CCc1oc(CN2CCC(C(C)C)CC2)cc1C(=O)[O-] ZINC000902324330 621262048 /nfs/dbraw/zinc/26/20/48/621262048.db2.gz MIQIGDJSMFWTLL-UHFFFAOYSA-N -1 3 279.380 3.408 20 0 CGADHM O=C([O-])/C=C/c1ccc(CN2CCC(C3CCC3)CC2)o1 ZINC000902436745 621319043 /nfs/dbraw/zinc/31/90/43/621319043.db2.gz UEAVEXQZVIMWIS-VOTSOKGWSA-N -1 3 289.375 3.390 20 0 CGADHM CCN(Cc1occ(C(F)(F)F)c1C(=O)[O-])C(C)C ZINC000903886582 621827362 /nfs/dbraw/zinc/82/73/62/621827362.db2.gz HNPLEMUBGRCDHE-UHFFFAOYSA-N -1 3 279.258 3.227 20 0 CGADHM COc1cccc(CN2CC[C@H](C(=O)[O-])C[C@@H]2C)c1Cl ZINC000903939619 621838117 /nfs/dbraw/zinc/83/81/17/621838117.db2.gz VNYCWGUOFGREQQ-QWRGUYRKSA-N -1 3 297.782 3.034 20 0 CGADHM CCc1nc(CN2[C@H](C)C[C@H](C)[C@@H](C(=O)[O-])[C@@H]2C)cs1 ZINC000903950556 621841244 /nfs/dbraw/zinc/84/12/44/621841244.db2.gz QRKVZJQZLPVBBD-BBGACYKPSA-N -1 3 296.436 3.025 20 0 CGADHM Cc1cc(F)c(CN[C@H]2CC[C@@H](C(=O)[O-])CC2)c(F)c1 ZINC000904056977 621860977 /nfs/dbraw/zinc/86/09/77/621860977.db2.gz YVIRWAUIBUBOTL-PHIMTYICSA-N -1 3 283.318 3.006 20 0 CGADHM CC[C@@H](C)CONC(=O)N([O-])Cc1ccccc1Cl ZINC000904187923 621882339 /nfs/dbraw/zinc/88/23/39/621882339.db2.gz WZSBHBTXHOLCCY-SNVBAGLBSA-N -1 3 286.759 3.219 20 0 CGADHM CCOc1cccc(CN[C@@H](C(=O)[O-])c2cccc(C)c2)c1 ZINC000904262330 621894142 /nfs/dbraw/zinc/89/41/42/621894142.db2.gz DJUWBRHFSIVXIN-QGZVFWFLSA-N -1 3 299.370 3.309 20 0 CGADHM [O-]c1cc2c(cc1CN1CCOCC1)oc1ccccc12 ZINC000058584261 622936366 /nfs/dbraw/zinc/93/63/66/622936366.db2.gz YORIEZPADDLBRF-UHFFFAOYSA-N -1 3 283.327 3.124 20 0 CGADHM Cc1cccc(SCCC[N-]C(=O)C(F)(F)F)c1 ZINC000151776470 623565310 /nfs/dbraw/zinc/56/53/10/623565310.db2.gz FIWYHZXHIXXELP-UHFFFAOYSA-N -1 3 277.311 3.156 20 0 CGADHM [O-]c1ccc(Cl)cc1/C=N/C[C@H](O)c1ccc(F)cc1 ZINC000032068947 623820758 /nfs/dbraw/zinc/82/07/58/623820758.db2.gz SLBYWQJRLOKASF-AOVQIXHVSA-N -1 3 293.725 3.337 20 0 CGADHM O=C(NCc1ccc([O-])c(F)c1)NC1CCCCCCC1 ZINC000155020432 624412047 /nfs/dbraw/zinc/41/20/47/624412047.db2.gz DXHAIEZANRKEHH-UHFFFAOYSA-N -1 3 294.370 3.443 20 0 CGADHM Cc1c(Cl)cccc1N[N-]C(=O)C(C)(Cl)Cl ZINC000180787173 624773402 /nfs/dbraw/zinc/77/34/02/624773402.db2.gz ULMJAJRPNOWPLT-UHFFFAOYSA-N -1 3 281.570 3.285 20 0 CGADHM O=C([O-])c1ccc(CN[C@H](c2ccccc2)C2CC2)o1 ZINC000071381145 625084777 /nfs/dbraw/zinc/08/47/77/625084777.db2.gz GWMIIXJLDOMDIS-OAHLLOKOSA-N -1 3 271.316 3.219 20 0 CGADHM C[C@H]1CCC[C@H]1CC(=O)[N-]OCc1ccc(F)cc1 ZINC000184793280 625270435 /nfs/dbraw/zinc/27/04/35/625270435.db2.gz UKUKRIZPZNFZQN-AAEUAGOBSA-N -1 3 265.328 3.200 20 0 CGADHM Cc1nc(CN2CC[C@](C)(C(=O)[O-])C2)sc1C(C)(C)C ZINC000923243530 626139073 /nfs/dbraw/zinc/13/90/73/626139073.db2.gz DXUIKAZLBCEWKG-HNNXBMFYSA-N -1 3 296.436 3.046 20 0 CGADHM O=C(OC/C=C\Cl)c1cc(F)cc(Cl)c1[O-] ZINC000751732381 626402075 /nfs/dbraw/zinc/40/20/75/626402075.db2.gz RWHYXEKBELUAFR-UPHRSURJSA-N -1 3 265.067 3.094 20 0 CGADHM O=C([N-][C@H]1CCC[C@@H](c2ccccc2)C1)C(F)(F)F ZINC000754754928 626586170 /nfs/dbraw/zinc/58/61/70/626586170.db2.gz VQWZWPZBCVULDK-NEPJUHHUSA-N -1 3 271.282 3.391 20 0 CGADHM Cc1oc(-c2ccccc2F)nc1C(=O)[N-]c1ccon1 ZINC000755760686 626643891 /nfs/dbraw/zinc/64/38/91/626643891.db2.gz GQNBHLQCQXJSER-UHFFFAOYSA-N -1 3 287.250 3.029 20 0 CGADHM O=C([O-])[C@@H](NCc1cccc(F)c1)c1ccc(Cl)cc1 ZINC000756332242 626693054 /nfs/dbraw/zinc/69/30/54/626693054.db2.gz GPFNAHMRWDEBBZ-AWEZNQCLSA-N -1 3 293.725 3.395 20 0 CGADHM O=C(/C=C\c1ccccc1F)Nc1cc(F)ccc1[O-] ZINC000759702736 626916293 /nfs/dbraw/zinc/91/62/93/626916293.db2.gz ZXDRYOLNQXTYDU-YVMONPNESA-N -1 3 275.254 3.322 20 0 CGADHM C/C(=C/c1ccc(Cl)cc1)C(=O)[N-]OCC(F)F ZINC000760145422 626941477 /nfs/dbraw/zinc/94/14/77/626941477.db2.gz CESKBMHXZPRNHE-VURMDHGXSA-N -1 3 275.682 3.056 20 0 CGADHM O=c1ccnc(C=Cc2ccc(Cl)nc2Cl)[n-]1 ZINC000761477979 627044988 /nfs/dbraw/zinc/04/49/88/627044988.db2.gz CVGAAUNNQBRNGA-RQOWECAXSA-N -1 3 268.103 3.054 20 0 CGADHM CCC[C@H](C)c1noc(-c2cc3c(cc2[O-])OCO3)n1 ZINC000761841299 627065634 /nfs/dbraw/zinc/06/56/34/627065634.db2.gz DDKFYNWWFWPDEU-QMMMGPOBSA-N -1 3 276.292 3.075 20 0 CGADHM Cc1cc(=O)[n-]c(CN2CCC(C3CCCCC3)CC2)n1 ZINC000761863713 627068557 /nfs/dbraw/zinc/06/85/57/627068557.db2.gz FFKWITXAASLEOG-UHFFFAOYSA-N -1 3 289.423 3.283 20 0 CGADHM Cc1cc(=O)[n-]c(CSCC2CCCCC2)n1 ZINC000761863122 627068743 /nfs/dbraw/zinc/06/87/43/627068743.db2.gz DPQXVJWXYKJZSG-UHFFFAOYSA-N -1 3 252.383 3.304 20 0 CGADHM COc1ccc(C=Cc2nccc(=O)[n-]2)c(Cl)c1OC ZINC000764436406 627207273 /nfs/dbraw/zinc/20/72/73/627207273.db2.gz TYTURZMENRERQB-GQCTYLIASA-N -1 3 292.722 3.023 20 0 CGADHM O=C([N-]Cc1cccc(F)c1)C(F)(F)c1ccccc1F ZINC000765600168 627261662 /nfs/dbraw/zinc/26/16/62/627261662.db2.gz HYGSPWCUTJLVKS-UHFFFAOYSA-N -1 3 297.251 3.373 20 0 CGADHM Cc1ccc(/C=C2/C(=O)[N-]C(=O)c3ccccc32)cc1Cl ZINC000766492621 627337563 /nfs/dbraw/zinc/33/75/63/627337563.db2.gz VVTZWLAAEPYCBY-RIYZIHGNSA-N -1 3 297.741 3.459 20 0 CGADHM CC1(C)[C@@H]2CN(C(=O)c3cc4sccc4c([O-])c3)C[C@@H]21 ZINC000774005274 627937573 /nfs/dbraw/zinc/93/75/73/627937573.db2.gz VSULTYKVJYAVAN-TXEJJXNPSA-N -1 3 287.384 3.335 20 0 CGADHM Cc1ccc(CCC(=O)[N-]OC2CCCC2)c(C)c1 ZINC000774876334 628045773 /nfs/dbraw/zinc/04/57/73/628045773.db2.gz TZJUTHGWDPBWCR-UHFFFAOYSA-N -1 3 261.365 3.226 20 0 CGADHM CCN(CC)[C@@H](C(=O)[N-]OC1CCCC1)c1ccccc1 ZINC000775276726 628077326 /nfs/dbraw/zinc/07/73/26/628077326.db2.gz UCBDQFNMRVLOPU-MRXNPFEDSA-N -1 3 290.407 3.060 20 0 CGADHM Cc1cccc(COC(=O)c2cccc(Cl)c2[O-])n1 ZINC000775933052 628150277 /nfs/dbraw/zinc/15/02/77/628150277.db2.gz FJBMZGDKGLDYQU-UHFFFAOYSA-N -1 3 277.707 3.106 20 0 CGADHM C[C@H](OC(=O)c1cccc(Cl)c1[O-])c1cccnc1 ZINC000775933190 628150297 /nfs/dbraw/zinc/15/02/97/628150297.db2.gz HWQLGGVUFMWYKL-VIFPVBQESA-N -1 3 277.707 3.359 20 0 CGADHM CC(C)CO[N-]C(=O)C[C@H](C)C(=O)c1ccc(Cl)cc1 ZINC000776983770 628242650 /nfs/dbraw/zinc/24/26/50/628242650.db2.gz PDRNPLCZIRIVLY-NSHDSACASA-N -1 3 297.782 3.253 20 0 CGADHM O=C(CCc1cccc(F)c1F)[N-]OC1CCCCC1 ZINC000777963156 628315800 /nfs/dbraw/zinc/31/58/00/628315800.db2.gz TUNSHWWSQSRMJO-UHFFFAOYSA-N -1 3 283.318 3.278 20 0 CGADHM Cc1cccc(OCCC(=O)[N-]OC2CCCCC2)c1 ZINC000777965356 628316869 /nfs/dbraw/zinc/31/68/69/628316869.db2.gz STABJCXXSJKKNT-UHFFFAOYSA-N -1 3 277.364 3.144 20 0 CGADHM C[C@@H](OC(=O)c1cnn[n-]1)c1cc(Cl)ccc1Cl ZINC000805607947 628352081 /nfs/dbraw/zinc/35/20/81/628352081.db2.gz UTHAAPJMASLBEB-ZCFIWIBFSA-N -1 3 286.118 3.030 20 0 CGADHM C[C@@H](OC(=O)c1c[n-]nn1)c1cc(Cl)ccc1Cl ZINC000805607947 628352083 /nfs/dbraw/zinc/35/20/83/628352083.db2.gz UTHAAPJMASLBEB-ZCFIWIBFSA-N -1 3 286.118 3.030 20 0 CGADHM CCOCCC1(C(=O)[N-]OC2CCCCC2)CCCC1 ZINC000779318360 628407609 /nfs/dbraw/zinc/40/76/09/628407609.db2.gz VVNJMZUNYMXAKQ-UHFFFAOYSA-N -1 3 283.412 3.354 20 0 CGADHM O=C(CCCC(F)(F)F)[N-]OC1CCCCC1 ZINC000779317222 628407794 /nfs/dbraw/zinc/40/77/94/628407794.db2.gz MGFRJCGLPFJXMD-UHFFFAOYSA-N -1 3 253.264 3.100 20 0 CGADHM O=C([N-]OC1CCCCC1)c1c(F)ccc(F)c1F ZINC000779322600 628408357 /nfs/dbraw/zinc/40/83/57/628408357.db2.gz SBMVDUBGVOKCET-UHFFFAOYSA-N -1 3 273.254 3.098 20 0 CGADHM Cc1cc(C=C2SC(=O)[N-]C2=O)ccc1C(F)(F)F ZINC000874929396 634653705 /nfs/dbraw/zinc/65/37/05/634653705.db2.gz BRMULNLCWAYMAQ-UITAMQMPSA-N -1 3 287.262 3.338 20 0 CGADHM CCOc1c(Cl)cccc1C=C1SC(=O)[N-]C1=O ZINC000874929181 634653742 /nfs/dbraw/zinc/65/37/42/634653742.db2.gz VPJQSUYBDPCFRE-RMKNXTFCSA-N -1 3 283.736 3.063 20 0 CGADHM O=C(OC[C@@H]1CCC2(CCCC2)O1)c1ccc([O-])cc1 ZINC000782006002 628609280 /nfs/dbraw/zinc/60/92/80/628609280.db2.gz FOERECAJFARAPM-AWEZNQCLSA-N -1 3 276.332 3.041 20 0 CGADHM Cc1ccc(C(=O)COC(=O)c2cc3occc3[n-]2)s1 ZINC000786032340 628909033 /nfs/dbraw/zinc/90/90/33/628909033.db2.gz ZIMIKEOIAOHONQ-UHFFFAOYSA-N -1 3 289.312 3.171 20 0 CGADHM O=C(OCc1nccs1)c1cc2sccc2c([O-])c1 ZINC000786142197 628916232 /nfs/dbraw/zinc/91/62/32/628916232.db2.gz UAZBSYRXFSVMMN-UHFFFAOYSA-N -1 3 291.353 3.420 20 0 CGADHM O=C([N-]OC1CCCCC1)C12CC(c3ccccc3)(C1)C2 ZINC000790927863 629241218 /nfs/dbraw/zinc/24/12/18/629241218.db2.gz CTFISWVBOCZYRC-UHFFFAOYSA-N -1 3 285.387 3.489 20 0 CGADHM CCOCCO[N-]C(=O)C[C@@H]1C[C@@H](C)c2c1cccc2C ZINC000792608815 629370533 /nfs/dbraw/zinc/37/05/33/629370533.db2.gz SZWHJGMNRIUNOU-KGLIPLIRSA-N -1 3 291.391 3.060 20 0 CGADHM O=c1ccnc(C=Cc2ccc3c(c2)CCCC3)[n-]1 ZINC000792883402 629390897 /nfs/dbraw/zinc/39/08/97/629390897.db2.gz DIBWLWPOYLQYAI-SOFGYWHQSA-N -1 3 252.317 3.231 20 0 CGADHM Cc1c([O-])ccc2c(CSc3ccncc3)cc(=O)oc12 ZINC000119289027 629483693 /nfs/dbraw/zinc/48/36/93/629483693.db2.gz PKIDYNFFKITMKL-UHFFFAOYSA-N -1 3 299.351 3.494 20 0 CGADHM CCC(=O)c1ccccc1NCc1cc(=O)[n-]c(C2CC2)n1 ZINC000863366233 629553200 /nfs/dbraw/zinc/55/32/00/629553200.db2.gz YTGZCERYWCPTFH-UHFFFAOYSA-N -1 3 297.358 3.264 20 0 CGADHM O=C([N-]O[C@@H]1CCCCO1)[C@@H]1CCC[C@@H]2CCCC[C@@H]12 ZINC000795897220 629724006 /nfs/dbraw/zinc/72/40/06/629724006.db2.gz RWWDTVLLDSRCER-GBJTYRQASA-N -1 3 281.396 3.167 20 0 CGADHM COc1ccccc1CO[N-]C(=O)C[C@H](C)CC(C)C ZINC000799096065 630141772 /nfs/dbraw/zinc/14/17/72/630141772.db2.gz YIBHAJKSXSGMCX-CYBMUJFWSA-N -1 3 279.380 3.315 20 0 CGADHM CCN(C(=O)c1cc(F)cc2n[n-]nc21)c1ccc(C)cc1 ZINC000800412480 630276310 /nfs/dbraw/zinc/27/63/10/630276310.db2.gz GWOPXGMWUYQKBP-UHFFFAOYSA-N -1 3 298.321 3.072 20 0 CGADHM CC[C@@H]1C[C@H]1CNC(=O)c1cc2sccc2c([O-])c1 ZINC000836830336 634810731 /nfs/dbraw/zinc/81/07/31/634810731.db2.gz OZQIMEZXLCRUER-KOLCDFICSA-N -1 3 275.373 3.383 20 0 CGADHM COCCCOC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000810545953 630890968 /nfs/dbraw/zinc/89/09/68/630890968.db2.gz NFTGUBOTADJZKK-UHFFFAOYSA-N -1 3 273.741 3.076 20 0 CGADHM O=C(OCCc1cncs1)c1cc(Cl)c(Cl)[n-]1 ZINC000811126437 631031422 /nfs/dbraw/zinc/03/14/22/631031422.db2.gz LZAOWYFOMUACAY-UHFFFAOYSA-N -1 3 291.159 3.178 20 0 CGADHM Cc1ccc2[nH]cc(CCC(=O)[N-]OC/C=C/Cl)c2c1 ZINC000812400744 631245781 /nfs/dbraw/zinc/24/57/81/631245781.db2.gz QRHCRLAZYBWGNG-FARCUNLSSA-N -1 3 292.766 3.209 20 0 CGADHM Cc1ccc(CCC(=O)[N-]OC/C=C/Cl)cc1Cl ZINC000812408994 631248442 /nfs/dbraw/zinc/24/84/42/631248442.db2.gz VNTYUPPQEQWGBJ-FARCUNLSSA-N -1 3 288.174 3.381 20 0 CGADHM O=C(OCCC1CCOCC1)c1cccc(Cl)c1[O-] ZINC000814464805 631585644 /nfs/dbraw/zinc/58/56/44/631585644.db2.gz RLJZEIMZIPEJAE-UHFFFAOYSA-N -1 3 284.739 3.019 20 0 CGADHM Cc1ccc(COC(=O)c2cc(-c3ccc(C)o3)[n-]n2)o1 ZINC000816428132 631971782 /nfs/dbraw/zinc/97/17/82/631971782.db2.gz AZWXEUNHQLOXRR-UHFFFAOYSA-N -1 3 286.287 3.237 20 0 CGADHM Cc1ccc(COC(=O)c2cc(-c3ccc(C)o3)n[n-]2)o1 ZINC000816428132 631971785 /nfs/dbraw/zinc/97/17/85/631971785.db2.gz AZWXEUNHQLOXRR-UHFFFAOYSA-N -1 3 286.287 3.237 20 0 CGADHM COCCN(Cc1c(F)ccc([O-])c1F)C1CCCC1 ZINC000816489819 631991115 /nfs/dbraw/zinc/99/11/15/631991115.db2.gz DFKUSEGXDWOOJA-UHFFFAOYSA-N -1 3 285.334 3.061 20 0 CGADHM [O-]c1ccc(F)c(CN2CC[C@H](c3ccccn3)C2)c1F ZINC000816599235 632021950 /nfs/dbraw/zinc/02/19/50/632021950.db2.gz GXIKFVUDRQQTGD-NSHDSACASA-N -1 3 290.313 3.055 20 0 CGADHM CC(C)=C[C@@H]1[C@@H](C(=O)[N-]OCCC2CC2)C1(C)C ZINC000817372186 632133554 /nfs/dbraw/zinc/13/35/54/632133554.db2.gz GGLOIXUDXUAILD-OLZOCXBDSA-N -1 3 251.370 3.073 20 0 CGADHM O=C(Nc1[nH][n-]c2cc(=O)ccc1-2)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC000820175854 632582624 /nfs/dbraw/zinc/58/26/24/632582624.db2.gz QIRHSNVZVAFNKO-RTCCRHLQSA-N -1 3 285.347 3.033 20 0 CGADHM O=C(CC[C@H]1CCc2ccccc21)[N-]OC/C=C\Cl ZINC000880061300 635905899 /nfs/dbraw/zinc/90/58/99/635905899.db2.gz ZXLXTDITWPLNQA-CQDYJGNSSA-N -1 3 279.767 3.297 20 0 CGADHM [O-]c1ccc(CN[C@@H]2c3ccccc3OC[C@@H]2F)cc1F ZINC000866268798 633054320 /nfs/dbraw/zinc/05/43/20/633054320.db2.gz HBOVTNOLFDNGRQ-XJKSGUPXSA-N -1 3 291.297 3.093 20 0 CGADHM CC(=O)c1ccc(C(=O)NCC(C)(C)C(C)(F)F)cc1[O-] ZINC000825828295 633382804 /nfs/dbraw/zinc/38/28/04/633382804.db2.gz RLCYNCMKHHAPSQ-UHFFFAOYSA-N -1 3 299.317 3.006 20 0 CGADHM Cl/C=C\CSc1cccc(Cl)c1-c1nnn[n-]1 ZINC000826350413 633408996 /nfs/dbraw/zinc/40/89/96/633408996.db2.gz VKROHQBYVVFIQQ-DJWKRKHSSA-N -1 3 287.175 3.365 20 0 CGADHM Cl/C=C\CSc1cccc(Cl)c1-c1nn[n-]n1 ZINC000826350413 633409002 /nfs/dbraw/zinc/40/90/02/633409002.db2.gz VKROHQBYVVFIQQ-DJWKRKHSSA-N -1 3 287.175 3.365 20 0 CGADHM CCc1ccc(CC(=O)[N-]OCCCC(F)(F)F)cc1 ZINC000871213220 633729031 /nfs/dbraw/zinc/72/90/31/633729031.db2.gz MHYBHRLMFQYCKH-UHFFFAOYSA-N -1 3 289.297 3.182 20 0 CGADHM C[C@H]1CCC[C@]1(C)C(=O)[N-]OCCCC(F)(F)F ZINC000871215774 633730709 /nfs/dbraw/zinc/73/07/09/633730709.db2.gz GITRXUDAPRYPBV-ONGXEEELSA-N -1 3 267.291 3.203 20 0 CGADHM CCC(F)(F)C(=O)[N-]C(C)(C)c1ccc(F)c(F)c1 ZINC000829794928 633786594 /nfs/dbraw/zinc/78/65/94/633786594.db2.gz CEMWQZUYAHNVRB-UHFFFAOYSA-N -1 3 277.261 3.361 20 0 CGADHM CC(C)c1cc(CN[C@@H](C)c2cccc([O-])c2F)on1 ZINC000872036021 633954620 /nfs/dbraw/zinc/95/46/20/633954620.db2.gz RPQXAJOQDHAJAL-JTQLQIEISA-N -1 3 278.327 3.494 20 0 CGADHM Cc1cncc(CN[C@@H](C)c2cccc([O-])c2F)c1 ZINC000872050715 633974831 /nfs/dbraw/zinc/97/48/31/633974831.db2.gz CZZUSDWHKVUMJL-NSHDSACASA-N -1 3 260.312 3.086 20 0 CGADHM C[C@H](N[C@@H](C)c1cccc([O-])c1F)c1cscn1 ZINC000872084035 634009361 /nfs/dbraw/zinc/00/93/61/634009361.db2.gz CSZIRJQIOWIGMF-IUCAKERBSA-N -1 3 266.341 3.400 20 0 CGADHM CCC(F)(F)C(=O)[N-]Cc1ccc(Cl)cc1F ZINC000832501817 634067906 /nfs/dbraw/zinc/06/79/06/634067906.db2.gz BODSEGMIJZKTKC-UHFFFAOYSA-N -1 3 265.662 3.141 20 0 CGADHM COc1cccc(CC(=O)[N-]OC2CCCCC2)c1Cl ZINC000832553077 634071327 /nfs/dbraw/zinc/07/13/27/634071327.db2.gz MBGBZSCZYCXXTC-UHFFFAOYSA-N -1 3 297.782 3.272 20 0 CGADHM O=C(CC[C@@H]1CC1(Cl)Cl)[N-]OC1CCCCC1 ZINC000832552850 634071500 /nfs/dbraw/zinc/07/15/00/634071500.db2.gz IFNIZQMMJNOVDC-SECBINFHSA-N -1 3 280.195 3.341 20 0 CGADHM O=C([N-]C[C@@H]1CCC[C@H]1c1ccccc1)C(F)(F)F ZINC000833599773 634123367 /nfs/dbraw/zinc/12/33/67/634123367.db2.gz SPBRLNQLIJEVGQ-RYUDHWBXSA-N -1 3 271.282 3.249 20 0 CGADHM O=C(CC1CCC1)OCc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000837550368 634931828 /nfs/dbraw/zinc/93/18/28/634931828.db2.gz PBBPAUODMQADSK-UHFFFAOYSA-N -1 3 298.342 3.083 20 0 CGADHM CC(C)CCCCC(=O)[N-]OCCC(F)(F)F ZINC000837549281 634932169 /nfs/dbraw/zinc/93/21/69/634932169.db2.gz IYOHDUKWGVVLEL-UHFFFAOYSA-N -1 3 255.280 3.203 20 0 CGADHM CC(C)(C)c1nc(COc2ccc3c([O-])coc3c2)co1 ZINC000877886632 635253340 /nfs/dbraw/zinc/25/33/40/635253340.db2.gz URJHUBGTXMVLLU-UHFFFAOYSA-N -1 3 287.315 3.126 20 0 CGADHM CC(C)(C)CC(=O)[N-]OCc1coc(-c2cccs2)n1 ZINC000842060771 635270032 /nfs/dbraw/zinc/27/00/32/635270032.db2.gz OZASMMBLELVZMJ-UHFFFAOYSA-N -1 3 294.376 3.387 20 0 CGADHM CC(C)(C)CC(=O)[N-]OCc1csc(C2CC2)n1 ZINC000842061864 635270823 /nfs/dbraw/zinc/27/08/23/635270823.db2.gz RBQHXJYLAIMCIV-UHFFFAOYSA-N -1 3 268.382 3.005 20 0 CGADHM CC(C)(C)CC(=O)[N-]OCCOc1ccccc1Cl ZINC000842061439 635270919 /nfs/dbraw/zinc/27/09/19/635270919.db2.gz WVJYOBHQRFNUQY-UHFFFAOYSA-N -1 3 285.771 3.203 20 0 CGADHM COCc1ccc(CSCc2nc(C)cc(=O)[n-]2)cc1 ZINC000842175541 635306240 /nfs/dbraw/zinc/30/62/40/635306240.db2.gz SOEQXZLYDCGYJY-UHFFFAOYSA-N -1 3 290.388 3.070 20 0 CGADHM C[C@@H](c1ccco1)N(C)Cc1nnc(-c2ccccc2[O-])o1 ZINC000878002463 635314744 /nfs/dbraw/zinc/31/47/44/635314744.db2.gz CGDRSXIMBHBRJU-NSHDSACASA-N -1 3 299.330 3.228 20 0 CGADHM CC(C)(CC(=O)Nc1n[n-]c(-c2ccco2)n1)CC(F)F ZINC000878095446 635354518 /nfs/dbraw/zinc/35/45/18/635354518.db2.gz XDKIOMMNFYZTOG-UHFFFAOYSA-N -1 3 298.293 3.075 20 0 CGADHM CC(C)[C@H](N)c1noc(-c2ccc3ccccc3c2[O-])n1 ZINC000843148002 635574388 /nfs/dbraw/zinc/57/43/88/635574388.db2.gz KEBFEZHZXAOFAV-ZDUSSCGKSA-N -1 3 283.331 3.251 20 0 CGADHM Cc1nc(C(C)C)ncc1C(=O)Nc1cc(F)ccc1[O-] ZINC000879083247 635697831 /nfs/dbraw/zinc/69/78/31/635697831.db2.gz KKGBRQCNEKDTJC-UHFFFAOYSA-N -1 3 289.310 3.005 20 0 CGADHM CC(C)=CCC[C@H](C)CC(=O)[N-]OCc1cccnc1 ZINC000843832149 635786684 /nfs/dbraw/zinc/78/66/84/635786684.db2.gz RNACOPADXAXHMB-AWEZNQCLSA-N -1 3 276.380 3.402 20 0 CGADHM CC(=O)c1cccc(NC(=O)[C@@H](C)c2ccc(C)o2)c1[O-] ZINC000843887323 635791782 /nfs/dbraw/zinc/79/17/82/635791782.db2.gz WKSHFBBKQNWGSL-JTQLQIEISA-N -1 3 287.315 3.238 20 0 CGADHM CC(=O)c1cccc(NC(=O)C(F)=C2CCCC2)c1[O-] ZINC000843886151 635792399 /nfs/dbraw/zinc/79/23/99/635792399.db2.gz MDADVTSMZADNJA-UHFFFAOYSA-N -1 3 277.295 3.331 20 0 CGADHM CC(C)=CCC[C@@H](C)CC(=O)[N-]OCCOC(C)C ZINC000843895471 635793025 /nfs/dbraw/zinc/79/30/25/635793025.db2.gz VTPOFZPQKIGDNS-CQSZACIVSA-N -1 3 271.401 3.232 20 0 CGADHM CCCO[N-]C(=O)CCC(=O)c1ccc(CCC)cc1 ZINC000844080753 635816582 /nfs/dbraw/zinc/81/65/82/635816582.db2.gz YDCPMTSNCSOENR-UHFFFAOYSA-N -1 3 277.364 3.060 20 0 CGADHM CCCO[N-]C(=O)[C@H]1C2CCC(CC2)[C@@H]1C(F)(F)F ZINC000844090730 635819759 /nfs/dbraw/zinc/81/97/59/635819759.db2.gz ZUUHWPYQOIPEGC-TVUZUIDESA-N -1 3 279.302 3.059 20 0 CGADHM O=C(c1cc([O-])c2ccccc2c1)N1CCC[C@@H](CF)C1 ZINC000881601989 636162343 /nfs/dbraw/zinc/16/23/43/636162343.db2.gz XZDBHAZTKPCCPT-LBPRGKRZSA-N -1 3 287.334 3.367 20 0 CGADHM COc1ccc2c(c1)C[C@H](C)N(C/C=C(\C)C(=O)[O-])[C@H]2C ZINC000846258901 636168961 /nfs/dbraw/zinc/16/89/61/636168961.db2.gz LHKWLUPACIQUMV-XBJLJFKASA-N -1 3 289.375 3.034 20 0 CGADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@H]3C=CCC3)nc2)n1 ZINC000882759369 636411128 /nfs/dbraw/zinc/41/11/28/636411128.db2.gz ZJBVXZYMWCEPBF-LBPRGKRZSA-N -1 3 296.374 3.185 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)C[C@@H]1OCc2cc(Cl)ccc21 ZINC000848121060 636532598 /nfs/dbraw/zinc/53/25/98/636532598.db2.gz UIPOPHQJMSTUKJ-YGRLFVJLSA-N -1 3 297.782 3.395 20 0 CGADHM C[C@@H](CC(=O)Nc1c([O-])cccc1Cl)C1CC1 ZINC000848141100 636533491 /nfs/dbraw/zinc/53/34/91/636533491.db2.gz YADUTEGIHVXVRZ-QMMMGPOBSA-N -1 3 253.729 3.420 20 0 CGADHM O=C(OCCCCc1ccccc1)c1cccc2nn[n-]c21 ZINC000800209070 636957988 /nfs/dbraw/zinc/95/79/88/636957988.db2.gz QIHVRYFGWHHHKO-UHFFFAOYSA-N -1 3 295.342 3.138 20 0 CGADHM O=C(OCCCCc1ccccc1)c1cccc2[n-]nnc21 ZINC000800209070 636957992 /nfs/dbraw/zinc/95/79/92/636957992.db2.gz QIHVRYFGWHHHKO-UHFFFAOYSA-N -1 3 295.342 3.138 20 0 CGADHM O=C(OCCCCc1ccccc1)c1cccc2n[n-]nc21 ZINC000800209070 636957997 /nfs/dbraw/zinc/95/79/97/636957997.db2.gz QIHVRYFGWHHHKO-UHFFFAOYSA-N -1 3 295.342 3.138 20 0 CGADHM O=C(Cc1ccc2ccccc2c1)[N-]OC1CCCC1 ZINC000135138901 637091295 /nfs/dbraw/zinc/09/12/95/637091295.db2.gz OMTANIJLKRSGPY-UHFFFAOYSA-N -1 3 269.344 3.373 20 0 CGADHM Cc1ccccc1OCCCC(=O)[N-]OC1CCCC1 ZINC000135142846 637091418 /nfs/dbraw/zinc/09/14/18/637091418.db2.gz SBXJOWBAXOXCQP-UHFFFAOYSA-N -1 3 277.364 3.144 20 0 CGADHM O=C([O-])c1ccccc1CC1CCN(C/C=C/Cl)CC1 ZINC000851707010 637467576 /nfs/dbraw/zinc/46/75/76/637467576.db2.gz PTJPXQZFSPOFPN-FPYGCLRLSA-N -1 3 293.794 3.392 20 0 CGADHM Cc1cc(F)c(CN[C@H]2CC=C(C(=O)[O-])C2)c(Cl)c1 ZINC000853037191 637741418 /nfs/dbraw/zinc/74/14/18/637741418.db2.gz DZHJBKAHBYLPQX-JTQLQIEISA-N -1 3 283.730 3.051 20 0 CGADHM CCC1(C(=O)[N-]OCCOC(C)C)CCC(F)(F)CC1 ZINC000854577073 638073055 /nfs/dbraw/zinc/07/30/55/638073055.db2.gz GFMLKBHUDUSELX-UHFFFAOYSA-N -1 3 293.354 3.065 20 0 CGADHM O=C(/C=C\c1nc2ccccc2s1)[N-]OCC1CCC1 ZINC000856343480 638346089 /nfs/dbraw/zinc/34/60/89/638346089.db2.gz LPPRFRDEBKVEOI-HJWRWDBZSA-N -1 3 288.372 3.157 20 0 CGADHM CC(C)ONC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000857522574 638513279 /nfs/dbraw/zinc/51/32/79/638513279.db2.gz LLLUTZUROWYSTO-UHFFFAOYSA-N -1 3 285.343 3.053 20 0 CGADHM CC(C)(C)c1nc(C(=O)[N-]c2ccnc(F)c2F)cs1 ZINC000857698646 638557239 /nfs/dbraw/zinc/55/72/39/638557239.db2.gz XTYWFYZDFJITHA-UHFFFAOYSA-N -1 3 297.330 3.366 20 0 CGADHM C[C@@H](NCc1nn(C)cc1C(F)F)c1cc([O-])cc(F)c1 ZINC000926804148 638814258 /nfs/dbraw/zinc/81/42/58/638814258.db2.gz IOKXMYRBGMDSAL-MRVPVSSYSA-N -1 3 299.296 3.053 20 0 CGADHM C[C@H]1C[C@H]1COC(=O)CCCc1ccc([O-])c(F)c1 ZINC000859648964 639183620 /nfs/dbraw/zinc/18/36/20/639183620.db2.gz NXGLRRYTKANMQQ-JQWIXIFHSA-N -1 3 266.312 3.053 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)N[C@H](C)c2ccc(F)cc2C)n1 ZINC000932560281 639353782 /nfs/dbraw/zinc/35/37/82/639353782.db2.gz TVRIKOJSSGQQQT-VXGBXAGGSA-N -1 3 289.354 3.350 20 0 CGADHM C[C@@H](CC(=O)[N-]OCc1ccc(F)cc1)c1ccco1 ZINC000860804668 639432128 /nfs/dbraw/zinc/43/21/28/639432128.db2.gz FWLBKJJPUSNIAI-NSHDSACASA-N -1 3 277.295 3.160 20 0 CGADHM Cc1cccc([O-])c1C(=O)NC[C@]1(C)CC1(Cl)Cl ZINC000861894485 639625434 /nfs/dbraw/zinc/62/54/34/639625434.db2.gz RQCAPVNEFBONFP-LBPRGKRZSA-N -1 3 288.174 3.014 20 0 CGADHM CCc1noc(C)c1[N-]C(=O)c1cnc(CC(C)C)s1 ZINC000935078049 639742651 /nfs/dbraw/zinc/74/26/51/639742651.db2.gz NUUZJGAMTABVDW-UHFFFAOYSA-N -1 3 293.392 3.453 20 0 CGADHM CCc1ccc(C(=O)N(Cc2ccccc2)OC)c([O-])c1 ZINC000189382201 640188363 /nfs/dbraw/zinc/18/83/63/640188363.db2.gz JAPVUVIGNXSILU-UHFFFAOYSA-N -1 3 285.343 3.158 20 0 CGADHM CN(Cc1ccncc1)Cc1c([O-])ccc(Cl)c1F ZINC000191478347 640314758 /nfs/dbraw/zinc/31/47/58/640314758.db2.gz WEGBMPZEBPMZRH-UHFFFAOYSA-N -1 3 280.730 3.212 20 0 CGADHM O=C([N-]c1ccc(F)nc1F)c1c(F)ccc(F)c1F ZINC000193692337 640488404 /nfs/dbraw/zinc/48/84/04/640488404.db2.gz ZNIRUCBLGVBTRW-UHFFFAOYSA-N -1 3 288.175 3.029 20 0 CGADHM Cc1ccc(CC(=O)[N-]O[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000194628713 640544909 /nfs/dbraw/zinc/54/49/09/640544909.db2.gz LAFXMALVRBCLME-CQSZACIVSA-N -1 3 294.354 3.218 20 0 CGADHM C[C@@H]1CCC[C@H](CN2Cc3ccccc3[C@H](C(=O)[O-])C2)C1 ZINC000089628781 640653345 /nfs/dbraw/zinc/65/33/45/640653345.db2.gz NYNHRZRFUKYLLN-JKIFEVAISA-N -1 3 287.403 3.497 20 0 CGADHM C[C@H]1C[C@@H]1c1ccc(CN2CCC(CC(=O)[O-])CC2)o1 ZINC000093682264 640779750 /nfs/dbraw/zinc/77/97/50/640779750.db2.gz ZTMMPYKQYNRDIY-FZMZJTMJSA-N -1 3 277.364 3.090 20 0 CGADHM COC(=O)c1ccc(Nc2cccc([O-])c2Cl)cc1N ZINC001250339656 805583193 /nfs/dbraw/zinc/58/31/93/805583193.db2.gz QAVZOZXECFXEKE-UHFFFAOYSA-N -1 3 292.722 3.158 20 0 CGADHM Fc1c2nc(-c3ccco3)[n-]c2c(F)c(F)c1F ZINC001250445496 805623181 /nfs/dbraw/zinc/62/31/81/805623181.db2.gz KYSVQVNFFUYEQE-UHFFFAOYSA-N -1 3 256.158 3.379 20 0 CGADHM [O-]c1cccc(Cl)c1-c1nc2cc3c(cc2[nH]1)OCO3 ZINC001250864228 805790129 /nfs/dbraw/zinc/79/01/29/805790129.db2.gz YJTMNPCKRMLWMN-UHFFFAOYSA-N -1 3 288.690 3.318 20 0 CGADHM COc1cccc2c1nc(-c1cccc([O-])c1F)n2C ZINC001251255305 805871959 /nfs/dbraw/zinc/87/19/59/805871959.db2.gz LQDCWTMZYUCTSX-UHFFFAOYSA-N -1 3 272.279 3.094 20 0 CGADHM [O-]c1cc(F)cc(-c2nc3c(cc(F)c(F)c3F)[nH]2)c1 ZINC001251569653 805907770 /nfs/dbraw/zinc/90/77/70/805907770.db2.gz JMGKODHBXABGAZ-UHFFFAOYSA-N -1 3 282.196 3.492 20 0 CGADHM CCC[C@@H](NC(=O)c1ccc(OC)cc1[O-])C(C)(C)C ZINC001158429376 805953427 /nfs/dbraw/zinc/95/34/27/805953427.db2.gz LQGDJNJQKDUNAY-CQSZACIVSA-N -1 3 279.380 3.345 20 0 CGADHM Cc1cc(Cl)c(C)nc1NCc1ncccc1[O-] ZINC001158774597 806001163 /nfs/dbraw/zinc/00/11/63/806001163.db2.gz QAAMDPZGHMXJKZ-UHFFFAOYSA-N -1 3 263.728 3.065 20 0 CGADHM [O-]c1cccnc1CNc1ccc2cccc(F)c2n1 ZINC001158774379 806001485 /nfs/dbraw/zinc/00/14/85/806001485.db2.gz MZAYNRWHDRVHRV-UHFFFAOYSA-N -1 3 269.279 3.087 20 0 CGADHM COc1ccc2nc(NCc3ncccc3[O-])cc(C)c2c1 ZINC001158774825 806001790 /nfs/dbraw/zinc/00/17/90/806001790.db2.gz RHGMHYPQZIDFLO-UHFFFAOYSA-N -1 3 295.342 3.265 20 0 CGADHM [O-]c1cccnc1CNc1cc2ccsc2cn1 ZINC001158774242 806002517 /nfs/dbraw/zinc/00/25/17/806002517.db2.gz HRJGGCZUVOVRQS-UHFFFAOYSA-N -1 3 257.318 3.009 20 0 CGADHM O=C(Nc1c([O-])cccc1Cl)c1ccc(Cl)[nH]1 ZINC001159656972 806142852 /nfs/dbraw/zinc/14/28/52/806142852.db2.gz HCVHDXALBHADGE-UHFFFAOYSA-N -1 3 271.103 3.279 20 0 CGADHM Cc1cncc(C(=O)Nc2c([O-])cccc2Cl)c1 ZINC001159656922 806142879 /nfs/dbraw/zinc/14/28/79/806142879.db2.gz GDIMFWZKRMJGET-UHFFFAOYSA-N -1 3 262.696 3.001 20 0 CGADHM COc1cccc(-c2nnc(-c3c([O-])cc(C)cc3O)o2)c1 ZINC001253350686 806207913 /nfs/dbraw/zinc/20/79/13/806207913.db2.gz SWHPGADDHZHZHU-UHFFFAOYSA-N -1 3 298.298 3.132 20 0 CGADHM Cc1cccc(-c2nnc(-c3c([O-])cc(C)cc3O)o2)c1 ZINC001253710110 806280754 /nfs/dbraw/zinc/28/07/54/806280754.db2.gz CJDKLBPSYCUYBC-UHFFFAOYSA-N -1 3 282.299 3.432 20 0 CGADHM Cc1cc(O)cc([O-])c1-c1nnc(-c2cccc(F)c2)o1 ZINC001254212832 806366308 /nfs/dbraw/zinc/36/63/08/806366308.db2.gz OSCQONCPWNMWLU-UHFFFAOYSA-N -1 3 286.262 3.262 20 0 CGADHM C[C@@]1(O)CC[C@@H](Nc2ccc3c(c2)[N-]C(=S)C3)CC1 ZINC001162360877 806565794 /nfs/dbraw/zinc/56/57/94/806565794.db2.gz TZUYCKPRMANYNQ-FUKZOUPISA-N -1 3 276.405 3.088 20 0 CGADHM [O-]c1cc2ccccc2cc1-c1nnc([C@H]2CCOC2)o1 ZINC001255522985 806662787 /nfs/dbraw/zinc/66/27/87/806662787.db2.gz AEVSWPWBNTXUHW-LBPRGKRZSA-N -1 3 282.299 3.099 20 0 CGADHM Cc1cc(C)cc(OCCC(=O)[N-]OC2CCCC2)c1 ZINC000135130968 799036825 /nfs/dbraw/zinc/03/68/25/799036825.db2.gz PPAFGCBHRXOPIU-UHFFFAOYSA-N -1 3 277.364 3.063 20 0 CGADHM Cc1c(CN2CC(C(=O)[O-])C2)sc2c1cccc2Cl ZINC000263511876 799180035 /nfs/dbraw/zinc/18/00/35/799180035.db2.gz NPQYTFNNYLYEGQ-UHFFFAOYSA-N -1 3 295.791 3.380 20 0 CGADHM Cc1ccccc1OCCCC(=O)[N-]OCc1ccccc1 ZINC000380880009 799367496 /nfs/dbraw/zinc/36/74/96/799367496.db2.gz BHHMVZSAPSLYAK-UHFFFAOYSA-N -1 3 299.370 3.402 20 0 CGADHM Cc1ccc(CCC(=O)[N-]OC(C)C)cc1Cl ZINC000383283473 799401856 /nfs/dbraw/zinc/40/18/56/799401856.db2.gz IWFSTIOFWNOFAD-UHFFFAOYSA-N -1 3 255.745 3.037 20 0 CGADHM COc1cc(C)ccc1-c1noc(-c2c([O-])cccc2O)n1 ZINC000389457682 799462031 /nfs/dbraw/zinc/46/20/31/799462031.db2.gz JASKXDCNDFFJEQ-UHFFFAOYSA-N -1 3 298.298 3.132 20 0 CGADHM Cc1cccc(C)c1OCCC(=O)[N-]OCc1ccccc1 ZINC000390719934 799473263 /nfs/dbraw/zinc/47/32/63/799473263.db2.gz MXYFMRYUHLOHET-UHFFFAOYSA-N -1 3 299.370 3.320 20 0 CGADHM C[C@@H](CCC1CC1)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC000398133053 799527082 /nfs/dbraw/zinc/52/70/82/799527082.db2.gz WQINEONVFCIQEZ-IUCAKERBSA-N -1 3 268.382 3.071 20 0 CGADHM COc1cccc([O-])c1C(=O)N(C)C[C@@H](C)C(C)(C)C ZINC000405280062 799582882 /nfs/dbraw/zinc/58/28/82/799582882.db2.gz UYFKWDSRQCFTKQ-LLVKDONJSA-N -1 3 279.380 3.155 20 0 CGADHM CCC1(CC)CCN(C(=O)c2c([O-])cccc2OC)C1 ZINC000405289382 799582917 /nfs/dbraw/zinc/58/29/17/799582917.db2.gz IMYDRWZSEULAMO-UHFFFAOYSA-N -1 3 277.364 3.053 20 0 CGADHM COc1cccc([O-])c1C(=O)N(C)C[C@H](C)C(C)(C)C ZINC000405280063 799582957 /nfs/dbraw/zinc/58/29/57/799582957.db2.gz UYFKWDSRQCFTKQ-NSHDSACASA-N -1 3 279.380 3.155 20 0 CGADHM O=C([O-])c1coc(CNC2CC(c3ccccc3)C2)c1 ZINC000690681205 799777318 /nfs/dbraw/zinc/77/73/18/799777318.db2.gz NTYSPXIUXDLOAQ-UHFFFAOYSA-N -1 3 271.316 3.014 20 0 CGADHM CCCO[C@H]1CCN(Cc2cccc([O-])c2Cl)C1 ZINC000701666320 799892560 /nfs/dbraw/zinc/89/25/60/799892560.db2.gz UABWHBWWWFSKMK-LBPRGKRZSA-N -1 3 269.772 3.047 20 0 CGADHM COc1cc(Cl)cc(-c2ccc(=S)[n-]n2)c1 ZINC000710807685 800040169 /nfs/dbraw/zinc/04/01/69/800040169.db2.gz YLRDVNHMJXZNFG-UHFFFAOYSA-N -1 3 252.726 3.094 20 0 CGADHM O=c1ccnc(C=Cc2cc(O)cc(C(F)(F)F)c2)[n-]1 ZINC000811690750 800448893 /nfs/dbraw/zinc/44/88/93/800448893.db2.gz FFVFBUCZXLENBS-OWOJBTEDSA-N -1 3 282.221 3.077 20 0 CGADHM CCCCCCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC001256390352 806879936 /nfs/dbraw/zinc/87/99/36/806879936.db2.gz AKBNJQMICNPILS-UHFFFAOYSA-N -1 3 298.350 3.040 20 0 CGADHM CCCCCCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC001256390352 806879940 /nfs/dbraw/zinc/87/99/40/806879940.db2.gz AKBNJQMICNPILS-UHFFFAOYSA-N -1 3 298.350 3.040 20 0 CGADHM CC(C)Cc1nnc(-c2cc3cc(O)ccc3cc2[O-])o1 ZINC001256425837 806894870 /nfs/dbraw/zinc/89/48/70/806894870.db2.gz AJYBOFLDUFJPGT-UHFFFAOYSA-N -1 3 284.315 3.500 20 0 CGADHM C[C@H]1C[C@H]1c1nnc(-c2nc3cc(Cl)ccc3[n-]2)o1 ZINC001256627221 806930845 /nfs/dbraw/zinc/93/08/45/806930845.db2.gz WFFZIKSNWMNKDA-POYBYMJQSA-N -1 3 274.711 3.390 20 0 CGADHM C[C@H]1C[C@@H]1c1nnc(-c2cc([O-])ccc2Br)o1 ZINC001256760587 806973001 /nfs/dbraw/zinc/97/30/01/806973001.db2.gz JBMFOFLZDALGOV-XPUUQOCRSA-N -1 3 295.136 3.328 20 0 CGADHM Cc1cc(F)cc(C)c1-c1ccccc1-c1nnn[n-]1 ZINC001243917358 803074420 /nfs/dbraw/zinc/07/44/20/803074420.db2.gz WLDFQHCSFYYAHD-UHFFFAOYSA-N -1 3 268.295 3.290 20 0 CGADHM Cc1cc(F)cc(C)c1-c1ccccc1-c1nn[n-]n1 ZINC001243917358 803074426 /nfs/dbraw/zinc/07/44/26/803074426.db2.gz WLDFQHCSFYYAHD-UHFFFAOYSA-N -1 3 268.295 3.290 20 0 CGADHM O=C1CCCc2cc(-c3ccccc3-c3nnn[n-]3)ccc21 ZINC001243996660 803129860 /nfs/dbraw/zinc/12/98/60/803129860.db2.gz YTMAAWZPFCHKGA-UHFFFAOYSA-N -1 3 290.326 3.053 20 0 CGADHM O=C1CCCc2cc(-c3ccccc3-c3nn[n-]n3)ccc21 ZINC001243996660 803129866 /nfs/dbraw/zinc/12/98/66/803129866.db2.gz YTMAAWZPFCHKGA-UHFFFAOYSA-N -1 3 290.326 3.053 20 0 CGADHM Cc1cc(-c2nn[n-]n2)ccc1-c1c(O)cccc1Cl ZINC001244047363 803159230 /nfs/dbraw/zinc/15/92/30/803159230.db2.gz OPOFEGITCKCGIL-UHFFFAOYSA-N -1 3 286.722 3.201 20 0 CGADHM COC(=O)c1ccc(-c2c([O-])cccc2Cl)c(C)n1 ZINC001244045011 803159355 /nfs/dbraw/zinc/15/93/55/803159355.db2.gz QSIOOPLDISTGRV-UHFFFAOYSA-N -1 3 277.707 3.203 20 0 CGADHM Cc1cnc(C)c(-c2cc(OC(F)(F)F)ccc2[O-])n1 ZINC001244454874 803376991 /nfs/dbraw/zinc/37/69/91/803376991.db2.gz AQHXNYCTOMJJJK-UHFFFAOYSA-N -1 3 284.237 3.365 20 0 CGADHM COCOc1ccc(Cl)cc1-c1ccc(=S)[n-]n1 ZINC001244471391 803387974 /nfs/dbraw/zinc/38/79/74/803387974.db2.gz DFQILKJNNOMJIG-UHFFFAOYSA-N -1 3 282.752 3.068 20 0 CGADHM O=C1CCCN1c1ccc(-c2ccc(Cl)cc2[O-])cn1 ZINC001244473560 803389261 /nfs/dbraw/zinc/38/92/61/803389261.db2.gz UPJACBCQOXZCAE-UHFFFAOYSA-N -1 3 288.734 3.234 20 0 CGADHM CCOc1cc(C)nc(-c2cc(C)c(F)c([O-])c2)n1 ZINC001244495753 803403599 /nfs/dbraw/zinc/40/35/99/803403599.db2.gz JBLOTIHXGIEWRT-UHFFFAOYSA-N -1 3 262.284 3.004 20 0 CGADHM CCCNc1nc(-c2cc(C)c(F)c([O-])c2)ncc1C ZINC001244495262 803403845 /nfs/dbraw/zinc/40/38/45/803403845.db2.gz FHCGMSWTEIGXHF-UHFFFAOYSA-N -1 3 275.327 3.427 20 0 CGADHM CN(C)Cc1cncc(-c2cc(F)c([O-])c(Cl)c2)c1 ZINC001244502978 803408452 /nfs/dbraw/zinc/40/84/52/803408452.db2.gz VHXFXTFTOPXUAN-UHFFFAOYSA-N -1 3 280.730 3.308 20 0 CGADHM CSc1cc(-c2cc(C)c(F)c([O-])c2)nc(C)n1 ZINC001244507068 803411140 /nfs/dbraw/zinc/41/11/40/803411140.db2.gz SUDCFKHYVXFCHT-UHFFFAOYSA-N -1 3 264.325 3.327 20 0 CGADHM Cc1cc(-c2cc(C)c(F)c([O-])c2)nc(C2CC2)n1 ZINC001244508244 803411159 /nfs/dbraw/zinc/41/11/59/803411159.db2.gz QJRNLNHYOKXFFB-UHFFFAOYSA-N -1 3 258.296 3.483 20 0 CGADHM CCCNC(=O)c1ccc(-c2cc(C)c(F)c([O-])c2)nc1 ZINC001244508367 803411523 /nfs/dbraw/zinc/41/15/23/803411523.db2.gz RGSGZRQHXHULFL-UHFFFAOYSA-N -1 3 288.322 3.042 20 0 CGADHM COC(=O)c1cccc(-c2cc(C)c(F)c([O-])c2)c1F ZINC001244515769 803413413 /nfs/dbraw/zinc/41/34/13/803413413.db2.gz NGRYZEGFWHMLFJ-UHFFFAOYSA-N -1 3 278.254 3.432 20 0 CGADHM Cc1cnc2ncc(-c3cc(C)c(F)c([O-])c3)cc2n1 ZINC001244517677 803413499 /nfs/dbraw/zinc/41/34/99/803413499.db2.gz MJHPEIGOLWPXDH-UHFFFAOYSA-N -1 3 269.279 3.153 20 0 CGADHM Cc1cc(-c2cccc3c2NC(=O)CC3)cc([O-])c1F ZINC001244521330 803415297 /nfs/dbraw/zinc/41/52/97/803415297.db2.gz RNGMLGUWSIVHHL-UHFFFAOYSA-N -1 3 271.291 3.391 20 0 CGADHM CON(C)C(=O)c1ccc(-c2cc(C)c(F)c([O-])c2)cc1 ZINC001244518895 803415439 /nfs/dbraw/zinc/41/54/39/803415439.db2.gz ARRPDMSTGXJOSI-UHFFFAOYSA-N -1 3 289.306 3.140 20 0 CGADHM COc1c(C)ccc(F)c1-c1ccc(C)c(-c2nnn[n-]2)c1 ZINC001244527064 803420185 /nfs/dbraw/zinc/42/01/85/803420185.db2.gz HQQAETPWXNWQTE-UHFFFAOYSA-N -1 3 298.321 3.298 20 0 CGADHM COc1c(C)ccc(F)c1-c1ccc(C)c(-c2nn[n-]n2)c1 ZINC001244527064 803420189 /nfs/dbraw/zinc/42/01/89/803420189.db2.gz HQQAETPWXNWQTE-UHFFFAOYSA-N -1 3 298.321 3.298 20 0 CGADHM Cc1cc(-c2cnc3c(c2)ncn3C)cc(Cl)c1[O-] ZINC001244536989 803423639 /nfs/dbraw/zinc/42/36/39/803423639.db2.gz DMQIKTKYFLMCMY-UHFFFAOYSA-N -1 3 273.723 3.303 20 0 CGADHM CCc1ocnc1C(=O)[N-]c1cc(F)c(F)c(F)c1F ZINC001132720330 803429433 /nfs/dbraw/zinc/42/94/33/803429433.db2.gz WWNXUTUOENIEOO-UHFFFAOYSA-N -1 3 288.200 3.046 20 0 CGADHM Cc1cc(-c2ccc(CC(N)=O)cc2)cc(Cl)c1[O-] ZINC001244547476 803431911 /nfs/dbraw/zinc/43/19/11/803431911.db2.gz MVUOXYRMJWXKRC-UHFFFAOYSA-N -1 3 275.735 3.049 20 0 CGADHM COCCOc1cc(-c2cc(C)c([O-])c(Cl)c2)ccn1 ZINC001244550692 803433581 /nfs/dbraw/zinc/43/35/81/803433581.db2.gz IPAIFSHABMKYII-UHFFFAOYSA-N -1 3 293.750 3.441 20 0 CGADHM Cc1cc(-c2cc(C(N)=O)ccc2F)cc(Cl)c1[O-] ZINC001244550578 803433819 /nfs/dbraw/zinc/43/38/19/803433819.db2.gz FWNRFAMJBMFOBJ-UHFFFAOYSA-N -1 3 279.698 3.259 20 0 CGADHM Cc1cc(-c2ccccc2-c2nnn[n-]2)cnc1OC(C)C ZINC001244686450 803495304 /nfs/dbraw/zinc/49/53/04/803495304.db2.gz JWLLXRSMONDRJJ-UHFFFAOYSA-N -1 3 295.346 3.024 20 0 CGADHM Cc1cc(-c2ccccc2-c2nn[n-]n2)cnc1OC(C)C ZINC001244686450 803495307 /nfs/dbraw/zinc/49/53/07/803495307.db2.gz JWLLXRSMONDRJJ-UHFFFAOYSA-N -1 3 295.346 3.024 20 0 CGADHM CCOC(=O)Cc1ccnc(-c2ccc([O-])cc2Cl)c1 ZINC001245079037 803634604 /nfs/dbraw/zinc/63/46/04/803634604.db2.gz KJRXZWYNUZTQIU-UHFFFAOYSA-N -1 3 291.734 3.213 20 0 CGADHM [O-]c1ccc(-c2cncc3cc(CO)oc32)c(Cl)c1 ZINC001245078824 803634712 /nfs/dbraw/zinc/63/47/12/803634712.db2.gz IKKWRORRGMDQOT-UHFFFAOYSA-N -1 3 275.691 3.346 20 0 CGADHM [O-]c1ccc(-c2nccc(NC3CC3)n2)c(Cl)c1 ZINC001245080900 803635401 /nfs/dbraw/zinc/63/54/01/803635401.db2.gz QKUKCJHHYWCQMH-UHFFFAOYSA-N -1 3 261.712 3.077 20 0 CGADHM Cc1cc(Cl)ccc1-c1cccc(-c2nnn[n-]2)c1 ZINC001245085847 803638662 /nfs/dbraw/zinc/63/86/62/803638662.db2.gz YXSZNCFZKKNJBS-UHFFFAOYSA-N -1 3 270.723 3.496 20 0 CGADHM Cc1cc(Cl)ccc1-c1cccc(-c2nn[n-]n2)c1 ZINC001245085847 803638667 /nfs/dbraw/zinc/63/86/67/803638667.db2.gz YXSZNCFZKKNJBS-UHFFFAOYSA-N -1 3 270.723 3.496 20 0 CGADHM CCc1ccc(C(=O)N[C@@H]2CCCC2(C)C)c([O-])c1 ZINC001137145735 803688435 /nfs/dbraw/zinc/68/84/35/803688435.db2.gz NBGGHDXMWWGUDN-CQSZACIVSA-N -1 3 261.365 3.263 20 0 CGADHM Cc1cc(NC(=O)Cc2ccc([O-])c(F)c2)cnc1Cl ZINC001137156837 803690630 /nfs/dbraw/zinc/69/06/30/803690630.db2.gz ZENYUUSUOYFVTE-UHFFFAOYSA-N -1 3 294.713 3.069 20 0 CGADHM Cc1cccc2[nH]c(-c3ccccc3-c3nnn[n-]3)cc21 ZINC001245345213 803705426 /nfs/dbraw/zinc/70/54/26/803705426.db2.gz OKRKQDJAQPQMGJ-UHFFFAOYSA-N -1 3 275.315 3.323 20 0 CGADHM Cc1cccc2[nH]c(-c3ccccc3-c3nn[n-]n3)cc21 ZINC001245345213 803705430 /nfs/dbraw/zinc/70/54/30/803705430.db2.gz OKRKQDJAQPQMGJ-UHFFFAOYSA-N -1 3 275.315 3.323 20 0 CGADHM [O-]c1ccc(Nc2cnc(C(F)(F)F)cn2)c(F)c1F ZINC001212000095 814964680 /nfs/dbraw/zinc/96/46/80/814964680.db2.gz NFCJPROUEXQYHN-UHFFFAOYSA-N -1 3 291.179 3.223 20 0 CGADHM Cc1cccc(C(=O)Nc2ccc3[nH]c(=S)[nH]c3c2)c1[O-] ZINC001137761911 803769284 /nfs/dbraw/zinc/76/92/84/803769284.db2.gz IFHMYYLTPPWUPU-UHFFFAOYSA-N -1 3 299.355 3.118 20 0 CGADHM [O-]c1ccc(Nc2cn3nc(Cl)ccc3n2)c(F)c1F ZINC001212003354 814965398 /nfs/dbraw/zinc/96/53/98/814965398.db2.gz YBPISQHNZDTRJQ-UHFFFAOYSA-N -1 3 296.664 3.110 20 0 CGADHM Cc1cc(F)c(-c2cc(F)cc(-c3nnn[n-]3)c2)cc1F ZINC001245545290 803803234 /nfs/dbraw/zinc/80/32/34/803803234.db2.gz QNRITHCKTMBBSI-UHFFFAOYSA-N -1 3 290.248 3.259 20 0 CGADHM Cc1cc(F)c(-c2cc(F)cc(-c3nn[n-]n3)c2)cc1F ZINC001245545290 803803242 /nfs/dbraw/zinc/80/32/42/803803242.db2.gz QNRITHCKTMBBSI-UHFFFAOYSA-N -1 3 290.248 3.259 20 0 CGADHM CC(=O)Nc1ccc(C)cc1-c1c([O-])cccc1F ZINC001245654092 803886901 /nfs/dbraw/zinc/88/69/01/803886901.db2.gz DSGOMBDAEPDFML-UHFFFAOYSA-N -1 3 259.280 3.465 20 0 CGADHM [O-]c1cccc(F)c1-c1ccnc(OC2CCOCC2)c1 ZINC001245654939 803886928 /nfs/dbraw/zinc/88/69/28/803886928.db2.gz NAJWSFCVYPXPKP-UHFFFAOYSA-N -1 3 289.306 3.151 20 0 CGADHM COc1cc(-c2c([O-])cccc2F)cc(OC)c1OC ZINC001245656752 803889792 /nfs/dbraw/zinc/88/97/92/803889792.db2.gz SQWDDSZIDIOLTJ-UHFFFAOYSA-N -1 3 278.279 3.224 20 0 CGADHM COc1cc(-c2c([O-])cccc2F)ccc1NC(C)=O ZINC001245656861 803890603 /nfs/dbraw/zinc/89/06/03/803890603.db2.gz WAPXWCHQXMSWGL-UHFFFAOYSA-N -1 3 275.279 3.165 20 0 CGADHM O=C1Nc2cc(-c3c([O-])cccc3F)ccc2C12CC2 ZINC001245657151 803890863 /nfs/dbraw/zinc/89/08/63/803890863.db2.gz UTLXAHQYLCSOPT-UHFFFAOYSA-N -1 3 269.275 3.182 20 0 CGADHM CCOC(=O)c1ccc(-c2c([O-])cccc2F)cc1OC ZINC001245657379 803892679 /nfs/dbraw/zinc/89/26/79/803892679.db2.gz LPYJXRLTUMOETH-UHFFFAOYSA-N -1 3 290.290 3.384 20 0 CGADHM COc1cc(C)c(-c2ccc(-c3nnn[n-]3)c(F)c2)c(C)c1 ZINC001245680501 803907553 /nfs/dbraw/zinc/90/75/53/803907553.db2.gz GZERCORVLBTIEB-UHFFFAOYSA-N -1 3 298.321 3.298 20 0 CGADHM COc1cc(C)c(-c2ccc(-c3nn[n-]n3)c(F)c2)c(C)c1 ZINC001245680501 803907561 /nfs/dbraw/zinc/90/75/61/803907561.db2.gz GZERCORVLBTIEB-UHFFFAOYSA-N -1 3 298.321 3.298 20 0 CGADHM CCOC(=O)c1ccc(CC)cc1-c1ccc(=S)[n-]n1 ZINC001245786818 803960426 /nfs/dbraw/zinc/96/04/26/803960426.db2.gz RXFNFTPNKHYILO-UHFFFAOYSA-N -1 3 288.372 3.171 20 0 CGADHM Cc1nc(Nc2cc(F)c(F)cc2OC(C)C)cc(=O)[n-]1 ZINC001212222678 814994071 /nfs/dbraw/zinc/99/40/71/814994071.db2.gz WVHFMXQHGLDFNU-UHFFFAOYSA-N -1 3 295.289 3.300 20 0 CGADHM Nc1cc(Nc2c(F)cc([O-])cc2F)ccc1F ZINC001212345124 815008982 /nfs/dbraw/zinc/00/89/82/815008982.db2.gz CEIGKUBDYVWCTJ-UHFFFAOYSA-N -1 3 254.211 3.135 20 0 CGADHM [O-]c1cnccc1CN1CCC[C@H]1c1c(F)cccc1F ZINC001140280337 804407161 /nfs/dbraw/zinc/40/71/61/804407161.db2.gz HFJAUIWIVSBDLC-AWEZNQCLSA-N -1 3 290.313 3.403 20 0 CGADHM CC(=O)c1ccc(C(=O)NCC2CCCCCC2)cc1[O-] ZINC001140853506 804534107 /nfs/dbraw/zinc/53/41/07/804534107.db2.gz ABFDGUHAOGOMKX-UHFFFAOYSA-N -1 3 289.375 3.295 20 0 CGADHM C[C@H]1CCCN(Cc2ccc([O-])c(F)c2F)CC1 ZINC001140887626 804539998 /nfs/dbraw/zinc/53/99/98/804539998.db2.gz COYLMTPBTPCGET-JTQLQIEISA-N -1 3 255.308 3.292 20 0 CGADHM [O-]c1ccc(CN(CC2CC2)C2CC2)c(F)c1F ZINC001140892610 804543329 /nfs/dbraw/zinc/54/33/29/804543329.db2.gz UBKHPHZDTSGJNR-UHFFFAOYSA-N -1 3 253.292 3.045 20 0 CGADHM CC[C@@H]1CCCC[C@H]1CNC(=O)c1c([O-])cccc1OC ZINC001141532394 804651302 /nfs/dbraw/zinc/65/13/02/804651302.db2.gz FIJDNQLKVMDHKM-OLZOCXBDSA-N -1 3 291.391 3.347 20 0 CGADHM CC(=O)c1cccc(NC(=O)C(C)=Cc2ccccn2)c1[O-] ZINC001141649772 804660940 /nfs/dbraw/zinc/66/09/40/804660940.db2.gz UKWIFLRIUJSRIT-KHPPLWFESA-N -1 3 296.326 3.032 20 0 CGADHM C[C@H]1CN(Cc2c(Cl)cc([O-])cc2Cl)CCCO1 ZINC001142105670 804694990 /nfs/dbraw/zinc/69/49/90/804694990.db2.gz JQAUSVCYDOBCSG-VIFPVBQESA-N -1 3 290.190 3.310 20 0 CGADHM [O-]c1cc(Cl)c(CN(C2CC2)C2COC2)c(Cl)c1 ZINC001142114576 804696174 /nfs/dbraw/zinc/69/61/74/804696174.db2.gz JUMAZJOAVOHFMA-UHFFFAOYSA-N -1 3 288.174 3.062 20 0 CGADHM CC1(O)CCN(Cc2c(Cl)cc([O-])cc2Cl)CC1 ZINC001142106066 804696308 /nfs/dbraw/zinc/69/63/08/804696308.db2.gz XYQKLCLHTMJKAW-UHFFFAOYSA-N -1 3 290.190 3.046 20 0 CGADHM Cc1cc(C)nc(Nc2cc(F)cc(F)c2[O-])c1 ZINC001212477364 815034185 /nfs/dbraw/zinc/03/41/85/815034185.db2.gz BDBOSJIQSNMYAO-UHFFFAOYSA-N -1 3 250.248 3.426 20 0 CGADHM [O-]c1c(F)cc(F)cc1Nc1nccnc1C1CC1 ZINC001212477909 815034227 /nfs/dbraw/zinc/03/42/27/815034227.db2.gz PUGOSOMTKKSSEQ-UHFFFAOYSA-N -1 3 263.247 3.081 20 0 CGADHM [O-]c1c(F)cc(F)cc1Nc1cnc(C(F)(F)F)cn1 ZINC001212479836 815034914 /nfs/dbraw/zinc/03/49/14/815034914.db2.gz UXKANTWVXPQBKJ-UHFFFAOYSA-N -1 3 291.179 3.223 20 0 CGADHM C[C@]1(CF)CCN(Cc2ccc(Cl)cc2C(=O)[O-])C1 ZINC001142647263 804747587 /nfs/dbraw/zinc/74/75/87/804747587.db2.gz UKUYMCNLUIJKTJ-CQSZACIVSA-N -1 3 285.746 3.220 20 0 CGADHM CC(=O)c1cccc([O-])c1NC(=O)[C@]1(C)C[C@@H]2C=C[C@H]1C2 ZINC001144277942 804966393 /nfs/dbraw/zinc/96/63/93/804966393.db2.gz SVJNCHUESNQIEN-BWACUDIHSA-N -1 3 285.343 3.136 20 0 CGADHM CN(Cc1c(F)cc([O-])cc1F)C1CCCCC1 ZINC001144541454 805001101 /nfs/dbraw/zinc/00/11/01/805001101.db2.gz GBVFPMXCXPBYQP-UHFFFAOYSA-N -1 3 255.308 3.435 20 0 CGADHM CN(Cc1cc(F)c([O-])cc1F)CC1CC(F)(F)C1 ZINC001144657661 805025384 /nfs/dbraw/zinc/02/53/84/805025384.db2.gz CIGHOBOZSYUMSZ-UHFFFAOYSA-N -1 3 277.261 3.148 20 0 CGADHM CC(C)c1ccc(C(=O)N[C@@H](C)COCC2CC2)c([O-])c1 ZINC001144965722 805061709 /nfs/dbraw/zinc/06/17/09/805061709.db2.gz LXTCTJDHUKOLDE-LBPRGKRZSA-N -1 3 291.391 3.061 20 0 CGADHM CC[C@@H](C)CCNC(=O)c1cc(SC)ccc1[O-] ZINC001146517740 805072149 /nfs/dbraw/zinc/07/21/49/805072149.db2.gz MTBHFJMBGPFTML-SNVBAGLBSA-N -1 3 267.394 3.280 20 0 CGADHM CC(C)c1cc(C(=O)[N-]c2nsc3ncccc23)no1 ZINC001147474675 805133311 /nfs/dbraw/zinc/13/33/11/805133311.db2.gz DHFFJZACQRQPOW-UHFFFAOYSA-N -1 3 288.332 3.055 20 0 CGADHM COc1cc2ccccc2cc1Nc1cc(=O)[n-]c(C)n1 ZINC001249551324 805174407 /nfs/dbraw/zinc/17/44/07/805174407.db2.gz AFKLWBJVWYKAPV-UHFFFAOYSA-N -1 3 281.315 3.396 20 0 CGADHM [S-]c1ccc(NC2=CC[C@@H](N3CCOCC3)CC2)cc1 ZINC001249557873 805176324 /nfs/dbraw/zinc/17/63/24/805176324.db2.gz CNPZLBUZANROEU-OAHLLOKOSA-N -1 3 290.432 3.156 20 0 CGADHM CC(C)C1CCC(CNC(=O)c2ccc(O)cc2[O-])CC1 ZINC001150022727 805250286 /nfs/dbraw/zinc/25/02/86/805250286.db2.gz PYRIJTQNGFMKRN-UHFFFAOYSA-N -1 3 291.391 3.290 20 0 CGADHM O=c1cc(Nc2cc3c(cccc3Cl)[nH]2)[nH]c(=S)[n-]1 ZINC001249859916 805266781 /nfs/dbraw/zinc/26/67/81/805266781.db2.gz LVUWMLFLWBDFIV-UHFFFAOYSA-N -1 3 292.751 3.349 20 0 CGADHM CCC(CC)(CO)CNC(=O)c1ccc(C(C)C)cc1[O-] ZINC001151213227 805284322 /nfs/dbraw/zinc/28/43/22/805284322.db2.gz MIQNJSFOFZKNPH-UHFFFAOYSA-N -1 3 293.407 3.044 20 0 CGADHM [O-]c1ccc(-c2nc(-c3cc(F)ccc3Cl)no2)nc1 ZINC001212558207 815068033 /nfs/dbraw/zinc/06/80/33/815068033.db2.gz WWOIWZOKYBSPHL-UHFFFAOYSA-N -1 3 291.669 3.297 20 0 CGADHM Cc1cc(F)cc(-c2noc(-c3ccc([O-])cn3)n2)c1F ZINC001212557898 815068250 /nfs/dbraw/zinc/06/82/50/815068250.db2.gz HAPCDDDYJJCQMN-UHFFFAOYSA-N -1 3 289.241 3.091 20 0 CGADHM CCCCCC(CCCCC)NC(=O)c1cnncc1[O-] ZINC001152425600 805349432 /nfs/dbraw/zinc/34/94/32/805349432.db2.gz WOPNWNIQLGTTCC-UHFFFAOYSA-N -1 3 293.411 3.441 20 0 CGADHM Cc1cc(C[C@H](C)Nc2ccc(Cl)c([O-])c2)on1 ZINC001212588713 815078347 /nfs/dbraw/zinc/07/83/47/815078347.db2.gz ZLKMHFSUDBOKHZ-QMMMGPOBSA-N -1 3 266.728 3.385 20 0 CGADHM O=C1NCCc2c(Nc3ccc(Cl)c([O-])c3)cccc21 ZINC001212594967 815080860 /nfs/dbraw/zinc/08/08/60/815080860.db2.gz FOMSFEVTSCCHMA-UHFFFAOYSA-N -1 3 288.734 3.075 20 0 CGADHM O=C(Cc1ccc(F)cc1[O-])c1ccc(F)cc1F ZINC001250249446 805520166 /nfs/dbraw/zinc/52/01/66/805520166.db2.gz VJLFLRRHRWAOBS-UHFFFAOYSA-N -1 3 266.218 3.235 20 0 CGADHM C[C@@H]1CCCN(C(F)(F)c2cc(Cl)nc(=S)[n-]2)C1 ZINC001155208629 805558498 /nfs/dbraw/zinc/55/84/98/805558498.db2.gz XJRFNZPBKODCIH-SSDOTTSWSA-N -1 3 293.770 3.200 20 0 CGADHM Cc1ccccc1CCC(=O)[N-]Oc1ccc(F)cc1 ZINC001165800695 807020413 /nfs/dbraw/zinc/02/04/13/807020413.db2.gz ORSHDINBTGQPKX-UHFFFAOYSA-N -1 3 273.307 3.177 20 0 CGADHM O=C(N[C@@H](C(F)F)C1CCCCC1)c1ccccc1[O-] ZINC001167318453 807181237 /nfs/dbraw/zinc/18/12/37/807181237.db2.gz VOFMNHXDDGDZPD-CYBMUJFWSA-N -1 3 283.318 3.336 20 0 CGADHM [O-]c1cncc(-c2nc(-c3ccc(OC4CC4)cc3)no2)c1 ZINC001212708495 815110333 /nfs/dbraw/zinc/11/03/33/815110333.db2.gz KKZYZQNJURUEQA-UHFFFAOYSA-N -1 3 295.298 3.045 20 0 CGADHM CC(=O)c1oc2cccnc2c1[N-]c1conc1C ZINC001212719428 815112972 /nfs/dbraw/zinc/11/29/72/815112972.db2.gz MGVLVKUTODLTRK-UHFFFAOYSA-N -1 3 257.249 3.070 20 0 CGADHM Cc1ccc(CS(=O)(=O)[N-]c2cc(F)cc(F)c2)cc1 ZINC001259258433 807676142 /nfs/dbraw/zinc/67/61/42/807676142.db2.gz LMRAGQDRGWXALO-UHFFFAOYSA-N -1 3 297.326 3.215 20 0 CGADHM CC(C)CS(=O)(=O)[N-]c1c(Cl)ccc2cccnc21 ZINC001259886751 807691996 /nfs/dbraw/zinc/69/19/96/807691996.db2.gz UTOOYBSPCZSSEG-UHFFFAOYSA-N -1 3 298.795 3.286 20 0 CGADHM Cc1cc(NCc2ncccc2[O-])ccc1OC(C)C ZINC001169733690 807701331 /nfs/dbraw/zinc/70/13/31/807701331.db2.gz XQYLYTHLNINDAM-UHFFFAOYSA-N -1 3 272.348 3.495 20 0 CGADHM [O-]c1cccnc1CNc1ccc(OCC(F)(F)F)cc1 ZINC001169733265 807701646 /nfs/dbraw/zinc/70/16/46/807701646.db2.gz RPOYPYHSWIKWOU-UHFFFAOYSA-N -1 3 298.264 3.340 20 0 CGADHM S=C1Cc2ccc(NCc3cccc4ccnn43)cc2[N-]1 ZINC001170708349 807881477 /nfs/dbraw/zinc/88/14/77/807881477.db2.gz WDPDQLUKKIZROO-UHFFFAOYSA-N -1 3 294.383 3.242 20 0 CGADHM CC(C)(C)c1nnc([N-]c2cc(F)nc(F)c2)s1 ZINC001213077112 815224612 /nfs/dbraw/zinc/22/46/12/815224612.db2.gz GJJRFQJYKJPCDH-UHFFFAOYSA-N -1 3 270.308 3.252 20 0 CGADHM NC(=O)c1ccc(Nc2ccccc2C(F)(F)F)cc1[O-] ZINC001173843412 808705917 /nfs/dbraw/zinc/70/59/17/808705917.db2.gz QMCOETYOBNBPIU-UHFFFAOYSA-N -1 3 296.248 3.254 20 0 CGADHM COCc1ccccc1[N-]c1noc(C(C)(C)C)n1 ZINC001174104513 808867367 /nfs/dbraw/zinc/86/73/67/808867367.db2.gz QRSPTFIGCGZTRE-UHFFFAOYSA-N -1 3 261.325 3.257 20 0 CGADHM [O-]c1cccc2sc(Nc3cncc(F)c3)nc21 ZINC001174288880 808933775 /nfs/dbraw/zinc/93/37/75/808933775.db2.gz NISRDVAEBYCBQY-UHFFFAOYSA-N -1 3 261.281 3.280 20 0 CGADHM [O-]c1cc(Cl)c(Nc2ccc3ncnn3c2)cc1Cl ZINC001174373293 808981411 /nfs/dbraw/zinc/98/14/11/808981411.db2.gz PSIPHHWCCILHIN-UHFFFAOYSA-N -1 3 295.129 3.485 20 0 CGADHM [O-]c1cccc(Nc2cnn(CC3CC3)c2)c1Cl ZINC001174469159 809026137 /nfs/dbraw/zinc/02/61/37/809026137.db2.gz XVXUNXHSHLBQAO-UHFFFAOYSA-N -1 3 263.728 3.396 20 0 CGADHM [O-]c1cc(Cl)cnc1Nc1cnn([C@H]2CCCCO2)c1 ZINC001174597283 809096998 /nfs/dbraw/zinc/09/69/98/809096998.db2.gz GXWNMSJCAIKBOX-GFCCVEGCSA-N -1 3 294.742 3.080 20 0 CGADHM [O-]c1cc(Nc2cnn([C@@H]3CCCCO3)c2)c(F)cc1F ZINC001174605896 809099962 /nfs/dbraw/zinc/09/99/62/809099962.db2.gz PLWVJRVLFWBLBU-AWEZNQCLSA-N -1 3 295.289 3.310 20 0 CGADHM COc1cc(C(=O)[O-])ccc1Nc1ccnc(C2CC2)c1 ZINC001174674650 809126211 /nfs/dbraw/zinc/12/62/11/809126211.db2.gz FDPREKJGNKCSKO-UHFFFAOYSA-N -1 3 284.315 3.409 20 0 CGADHM CCO[C@@H](C)n1cc([N-]c2nc3ccc(F)cc3o2)cn1 ZINC001174691538 809131778 /nfs/dbraw/zinc/13/17/78/809131778.db2.gz RBENKEJGHPYYSH-VIFPVBQESA-N -1 3 290.298 3.462 20 0 CGADHM Nc1ccc2c(c1)CCCN2c1cc(F)c([O-])c(F)c1 ZINC001213388962 815275142 /nfs/dbraw/zinc/27/51/42/815275142.db2.gz VETHOWWRJAEAIR-UHFFFAOYSA-N -1 3 276.286 3.337 20 0 CGADHM [O-]c1c(F)cc(Nc2ncnc3sccc32)cc1F ZINC001213370607 815271068 /nfs/dbraw/zinc/27/10/68/815271068.db2.gz JHACYKDGOGKMOD-UHFFFAOYSA-N -1 3 279.271 3.419 20 0 CGADHM CCOc1cccnc1Nc1cc(F)c([O-])c(F)c1 ZINC001213373778 815271879 /nfs/dbraw/zinc/27/18/79/815271879.db2.gz YOTMVNWCQARZOM-UHFFFAOYSA-N -1 3 266.247 3.208 20 0 CGADHM Cc1ccc(C)c(Nc2cc(F)c([O-])c(F)c2)n1 ZINC001213374910 815272039 /nfs/dbraw/zinc/27/20/39/815272039.db2.gz FCBXDJXFFRNAIZ-UHFFFAOYSA-N -1 3 250.248 3.426 20 0 CGADHM [O-]c1c(F)cc(Nc2cn(C3CCC3)cn2)cc1F ZINC001213377461 815272924 /nfs/dbraw/zinc/27/29/24/815272924.db2.gz PWNCWEGIRZKTOL-UHFFFAOYSA-N -1 3 265.263 3.336 20 0 CGADHM [O-]c1c(F)cc(Nc2cn3ccccc3n2)cc1F ZINC001213377213 815273416 /nfs/dbraw/zinc/27/34/16/815273416.db2.gz CNHWNMWEMSDXAP-UHFFFAOYSA-N -1 3 261.231 3.062 20 0 CGADHM [O-]c1c(F)cc(Nc2cc(F)cc(F)c2CO)cc1F ZINC001213388731 815275232 /nfs/dbraw/zinc/27/52/32/815275232.db2.gz JNEFBPQFYZFXAF-UHFFFAOYSA-N -1 3 287.212 3.185 20 0 CGADHM [O-]c1cc(F)c(Nc2cccc3cnncc32)c(F)c1 ZINC001175097104 809270025 /nfs/dbraw/zinc/27/00/25/809270025.db2.gz POEXMVQOGRUHMG-UHFFFAOYSA-N -1 3 273.242 3.357 20 0 CGADHM COc1cc(C)c(Nc2ncc(F)cc2[O-])cc1C ZINC001175109661 809275703 /nfs/dbraw/zinc/27/57/03/809275703.db2.gz DDTGABRHWNHLHA-UHFFFAOYSA-N -1 3 262.284 3.295 20 0 CGADHM CCOc1ccc(Nc2ncc(F)cc2[O-])c(F)c1F ZINC001175153010 809290520 /nfs/dbraw/zinc/29/05/20/809290520.db2.gz QKQKNSAKBXHRSG-UHFFFAOYSA-N -1 3 284.237 3.347 20 0 CGADHM Cc1cn2c(cccc2Nc2c(F)ccc([O-])c2F)n1 ZINC001175261986 809328340 /nfs/dbraw/zinc/32/83/40/809328340.db2.gz WGFPWPSPFIOJAP-UHFFFAOYSA-N -1 3 275.258 3.370 20 0 CGADHM [O-]c1ccc(F)c(Nc2cnccc2OC(F)F)c1F ZINC001175265074 809331205 /nfs/dbraw/zinc/33/12/05/809331205.db2.gz BCSTVTPZOIHLED-UHFFFAOYSA-N -1 3 288.200 3.410 20 0 CGADHM [O-]c1ccc(F)c(Nc2ccnn2CC(F)(F)F)c1F ZINC001175265036 809331534 /nfs/dbraw/zinc/33/15/34/809331534.db2.gz AZNYKZLQHRRGPU-UHFFFAOYSA-N -1 3 293.195 3.173 20 0 CGADHM Cc1cc(F)ccc1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175429672 809401163 /nfs/dbraw/zinc/40/11/63/809401163.db2.gz YEYWOOLIIYPEBG-UHFFFAOYSA-N -1 3 269.283 3.058 20 0 CGADHM Clc1csc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001175428334 809401608 /nfs/dbraw/zinc/40/16/08/809401608.db2.gz YLQGHVLZACCKGH-UHFFFAOYSA-N -1 3 277.740 3.325 20 0 CGADHM Cn1ccc2cc(Nc3ccc(-c4nn[n-]n4)cc3)ccc21 ZINC001175429381 809401672 /nfs/dbraw/zinc/40/16/72/809401672.db2.gz JGGCUPVNUNONTJ-UHFFFAOYSA-N -1 3 290.330 3.102 20 0 CGADHM COC(=O)c1c(C)csc1[N-]c1cncs1 ZINC001175495259 809430222 /nfs/dbraw/zinc/43/02/22/809430222.db2.gz IJBXEIYSGWQRBF-UHFFFAOYSA-N -1 3 254.336 3.043 20 0 CGADHM [O-]c1cc(F)cnc1N=C1CCN(Cc2ccccc2)CC1 ZINC001175505662 809432924 /nfs/dbraw/zinc/43/29/24/809432924.db2.gz XWGRVESYDMWDQT-UHFFFAOYSA-N -1 3 299.349 3.128 20 0 CGADHM CCc1cc(-c2noc(-c3cc(Cl)n[n-]3)n2)ccc1F ZINC001213500558 815291443 /nfs/dbraw/zinc/29/14/43/815291443.db2.gz JRSQURUWOROOSR-UHFFFAOYSA-N -1 3 292.701 3.482 20 0 CGADHM Cc1ccc(-c2noc(-c3cc(Cl)n[n-]3)n2)c(C)c1 ZINC001213498695 815291484 /nfs/dbraw/zinc/29/14/84/815291484.db2.gz QVERRRQXXFWPCV-UHFFFAOYSA-N -1 3 274.711 3.397 20 0 CGADHM CNc1cc(Cl)ccc1C(=O)Nc1cccc([O-])c1F ZINC001295128429 809482167 /nfs/dbraw/zinc/48/21/67/809482167.db2.gz RPKNAHFHSSOZNB-UHFFFAOYSA-N -1 3 294.713 3.479 20 0 CGADHM C[C@H](Cc1ccco1)C(=O)Nc1cc(Cl)ccc1[O-] ZINC001295350654 809485828 /nfs/dbraw/zinc/48/58/28/809485828.db2.gz ISRTXOXXJFFSEO-SECBINFHSA-N -1 3 279.723 3.456 20 0 CGADHM Cc1ccc(C(=O)Nc2cc(CCC(C)C)[nH]n2)c([O-])c1 ZINC001299943635 809558507 /nfs/dbraw/zinc/55/85/07/809558507.db2.gz BUFMSTQAKNAJHR-UHFFFAOYSA-N -1 3 287.363 3.265 20 0 CGADHM O=C(N[C@H]1C=CCC1)c1cc2sccc2c([O-])c1 ZINC001300453549 809568426 /nfs/dbraw/zinc/56/84/26/809568426.db2.gz IXJUQDDWOWSFFH-JTQLQIEISA-N -1 3 259.330 3.055 20 0 CGADHM COc1ccc(Nc2ccc([O-])c(Cl)c2)cc1CO ZINC001175985346 809592444 /nfs/dbraw/zinc/59/24/44/809592444.db2.gz HFNKJBKUMNKZTM-UHFFFAOYSA-N -1 3 279.723 3.290 20 0 CGADHM COc1c(Cl)cc([N-]c2nnco2)cc1Cl ZINC001176308120 809665848 /nfs/dbraw/zinc/66/58/48/809665848.db2.gz VIPPGLILDGFGSL-UHFFFAOYSA-N -1 3 260.080 3.129 20 0 CGADHM [O-]c1cc(Nc2ccc(O)cc2F)c(F)cc1F ZINC001176413739 809689929 /nfs/dbraw/zinc/68/99/29/809689929.db2.gz SDUQJAVNHOATMR-UHFFFAOYSA-N -1 3 255.195 3.259 20 0 CGADHM CCOc1ccccc1-c1noc(-c2nc(C)ccc2[O-])n1 ZINC001213697833 815322970 /nfs/dbraw/zinc/32/29/70/815322970.db2.gz FWTBWASMPMHKHW-UHFFFAOYSA-N -1 3 297.314 3.211 20 0 CGADHM O=C(Cc1occ2ccccc21)Nc1ccc(F)c([O-])c1 ZINC001182503460 810112481 /nfs/dbraw/zinc/11/24/81/810112481.db2.gz YZBZKGSCBATJHL-UHFFFAOYSA-N -1 3 285.274 3.459 20 0 CGADHM COc1cccc(NCc2ccc([O-])c(F)c2)c1C ZINC001182892846 810129883 /nfs/dbraw/zinc/12/98/83/810129883.db2.gz YRYDAVLSVVCOMF-UHFFFAOYSA-N -1 3 261.296 3.460 20 0 CGADHM Cc1cccc2ccn(CC(=O)Nc3ccc(F)c([O-])c3)c21 ZINC001184193257 810181391 /nfs/dbraw/zinc/18/13/91/810181391.db2.gz GOVZBBJGBIUYEG-UHFFFAOYSA-N -1 3 298.317 3.433 20 0 CGADHM C[C@H]1CCC[C@H](C(=O)Nc2ccc(F)c([O-])c2)C1 ZINC001184506950 810205367 /nfs/dbraw/zinc/20/53/67/810205367.db2.gz CGHRYCKQACWVNH-UWVGGRQHSA-N -1 3 251.301 3.296 20 0 CGADHM CC(C)[C@H]1CC[C@@H](C)C[C@H]1C[N-]S(=O)(=O)c1ccco1 ZINC001186186305 810320317 /nfs/dbraw/zinc/32/03/17/810320317.db2.gz NQXAZXRGOBPEFB-HZSPNIEDSA-N -1 3 299.436 3.266 20 0 CGADHM Cc1ccc(-c2noc(-c3ccc(F)c(=O)[n-]3)n2)c(C)c1 ZINC001214085733 815365814 /nfs/dbraw/zinc/36/58/14/815365814.db2.gz WOASRUAKKFXXEP-UHFFFAOYSA-N -1 3 285.278 3.260 20 0 CGADHM Cc1cccc([O-])c1C(=O)Nc1cc(-c2ccccn2)no1 ZINC001188638881 810496933 /nfs/dbraw/zinc/49/69/33/810496933.db2.gz RPYJBBPHIQVVFM-UHFFFAOYSA-N -1 3 295.298 3.003 20 0 CGADHM Cc1ccc(Nc2cc(F)c([O-])c(F)c2)c(N)c1 ZINC001214188962 815380633 /nfs/dbraw/zinc/38/06/33/815380633.db2.gz QVXUHTITNYXDQQ-UHFFFAOYSA-N -1 3 250.248 3.305 20 0 CGADHM CC(=O)c1cccc(NC(=O)NCc2cccc(C)c2)c1[O-] ZINC001190999341 810661960 /nfs/dbraw/zinc/66/19/60/810661960.db2.gz ZOSBNOWBKXBMSV-UHFFFAOYSA-N -1 3 298.342 3.225 20 0 CGADHM COc1c(C)cc(C(=O)Nc2ccc(F)c([O-])c2)cc1C ZINC001191071631 810670769 /nfs/dbraw/zinc/67/07/69/810670769.db2.gz VHUUQDLWZMLVGQ-UHFFFAOYSA-N -1 3 289.306 3.409 20 0 CGADHM CCCC[C@H](CC)COC(=O)Nc1cnc(C)[n-]c1=O ZINC001193951187 810984110 /nfs/dbraw/zinc/98/41/10/810984110.db2.gz NVCGJAPVLLXOJC-NSHDSACASA-N -1 3 281.356 3.256 20 0 CGADHM O=C(Nc1cncc([O-])c1)Oc1ccc(Cl)cc1 ZINC001194028827 811005187 /nfs/dbraw/zinc/00/51/87/811005187.db2.gz ZYZRKPMEJMWANP-UHFFFAOYSA-N -1 3 264.668 3.052 20 0 CGADHM NC(=O)c1ccccc1Nc1c(Cl)ccc([O-])c1F ZINC001214561285 815424478 /nfs/dbraw/zinc/42/44/78/815424478.db2.gz DJYKWYKWQRUXEL-UHFFFAOYSA-N -1 3 280.686 3.027 20 0 CGADHM COCCn1nc(C)cc1Nc1c(Cl)ccc([O-])c1F ZINC001214558537 815424641 /nfs/dbraw/zinc/42/46/41/815424641.db2.gz ZCWFQMOISQPPSM-UHFFFAOYSA-N -1 3 299.733 3.080 20 0 CGADHM O=S(=O)([N-]c1ccccc1C1CC1)c1ccc(O)cc1 ZINC001195755743 811287566 /nfs/dbraw/zinc/28/75/66/811287566.db2.gz ZZDWVSQNBAMXQI-UHFFFAOYSA-N -1 3 289.356 3.070 20 0 CGADHM O=C([N-]c1cnoc1)c1cc(F)c(OC2CCC2)c(F)c1 ZINC001196576378 811354230 /nfs/dbraw/zinc/35/42/30/811354230.db2.gz FSENFHRATCAKIN-UHFFFAOYSA-N -1 3 294.257 3.136 20 0 CGADHM Cc1ccc(C)c(CN2Cc3nc(C4CC4)[n-]c(=O)c3C2)c1 ZINC001197466793 811424586 /nfs/dbraw/zinc/42/45/86/811424586.db2.gz ARLALXBOKNOJPP-UHFFFAOYSA-N -1 3 295.386 3.192 20 0 CGADHM Cc1ccc(C(=O)Nc2cncc([O-])c2)c(C)c1Cl ZINC001198203353 811482831 /nfs/dbraw/zinc/48/28/31/811482831.db2.gz LYWDNZJJBMZBDF-UHFFFAOYSA-N -1 3 276.723 3.310 20 0 CGADHM CC[C@@H](C)CNC(=S)Nc1c([O-])cccc1Cl ZINC001200255480 811655958 /nfs/dbraw/zinc/65/59/58/811655958.db2.gz YEMYXZPWNQEUTO-MRVPVSSYSA-N -1 3 272.801 3.378 20 0 CGADHM [O-]c1cc(F)c(Nc2ccc(CO)c(F)c2F)c(F)c1 ZINC001215043849 815480073 /nfs/dbraw/zinc/48/00/73/815480073.db2.gz VVQHONUTZXGOPO-UHFFFAOYSA-N -1 3 287.212 3.185 20 0 CGADHM Cc1ncc(Nc2ccc(NC(C)C)cc2)c(=O)[n-]1 ZINC001201490657 811863203 /nfs/dbraw/zinc/86/32/03/811863203.db2.gz IUEHWLIRAHHMSD-UHFFFAOYSA-N -1 3 258.325 3.055 20 0 CGADHM [O-]c1cc(F)c(Nc2cnn(C(F)F)c2)cc1F ZINC001201744183 811955538 /nfs/dbraw/zinc/95/55/38/811955538.db2.gz MQYVNIJKMDPKBH-UHFFFAOYSA-N -1 3 261.178 3.006 20 0 CGADHM Cc1ccc(-c2nc(-c3cccc4ccnn43)no2)c([O-])c1 ZINC001215297258 815504023 /nfs/dbraw/zinc/50/40/23/815504023.db2.gz UNCPEYNTNQBWIE-UHFFFAOYSA-N -1 3 292.298 3.065 20 0 CGADHM COc1cnc(-c2noc(-c3ccc(C)cc3[O-])n2)c(C)c1 ZINC001215296995 815504549 /nfs/dbraw/zinc/50/45/49/815504549.db2.gz JOGJFYNEGRVSGQ-UHFFFAOYSA-N -1 3 297.314 3.130 20 0 CGADHM CC(=O)c1ccccc1-c1noc(-c2c([O-])cccc2O)n1 ZINC001215301941 815505579 /nfs/dbraw/zinc/50/55/79/815505579.db2.gz LKLIOLTWANYLGI-UHFFFAOYSA-N -1 3 296.282 3.017 20 0 CGADHM CCCCOc1ncc(Nc2cnc(C)[n-]c2=O)cc1C ZINC001203040471 812224293 /nfs/dbraw/zinc/22/42/93/812224293.db2.gz IOQCORAFQPJAIY-UHFFFAOYSA-N -1 3 288.351 3.117 20 0 CGADHM CC1(C)COc2c(Nc3cc(F)c([O-])cc3F)cnn2C1 ZINC001215572708 815538860 /nfs/dbraw/zinc/53/88/60/815538860.db2.gz RDRYAWSVRDZZTI-UHFFFAOYSA-N -1 3 295.289 3.029 20 0 CGADHM COC(=O)c1cc(-c2ccc([O-])cc2F)c(F)cc1F ZINC001206050937 813182232 /nfs/dbraw/zinc/18/22/32/813182232.db2.gz DJEPGEPDZGASRM-UHFFFAOYSA-N -1 3 282.217 3.263 20 0 CGADHM CCOC(=O)c1ccc(-c2ccc([O-])cc2F)c(C)n1 ZINC001206072645 813190355 /nfs/dbraw/zinc/19/03/55/813190355.db2.gz CSYKJHYUOIYMIB-UHFFFAOYSA-N -1 3 275.279 3.078 20 0 CGADHM CCOC(=O)c1ncc(-c2ccc([O-])cc2F)cc1C ZINC001206073474 813192330 /nfs/dbraw/zinc/19/23/30/813192330.db2.gz VXYXWOSITVEJQG-UHFFFAOYSA-N -1 3 275.279 3.078 20 0 CGADHM COc1ccc(C(C)=O)cc1Nc1cc(=O)[n-]c(C2CC2)n1 ZINC001210076316 814276845 /nfs/dbraw/zinc/27/68/45/814276845.db2.gz WESRYZINSUDUOW-UHFFFAOYSA-N -1 3 299.330 3.014 20 0 CGADHM [O-]c1ccc(Nc2cc(F)ccc2CO)c(F)c1F ZINC001210181707 814323925 /nfs/dbraw/zinc/32/39/25/814323925.db2.gz MWSQQAPPWSOFSY-UHFFFAOYSA-N -1 3 269.222 3.045 20 0 CGADHM Cc1nc2c(C)cc(Nc3cccc(Cl)c3[O-])cn2n1 ZINC001210219180 814346743 /nfs/dbraw/zinc/34/67/43/814346743.db2.gz POEUDAXZXVBKLC-UHFFFAOYSA-N -1 3 288.738 3.449 20 0 CGADHM [O-]c1c(Cl)cccc1Nc1ccnnc1Cl ZINC001210218004 814347324 /nfs/dbraw/zinc/34/73/24/814347324.db2.gz ACQALDVGXFNYOT-UHFFFAOYSA-N -1 3 256.092 3.233 20 0 CGADHM [O-]c1c(Cl)cccc1Nc1cccc(-n2cncn2)c1 ZINC001210222098 814348388 /nfs/dbraw/zinc/34/83/88/814348388.db2.gz OCPNGJYXSPDUPN-UHFFFAOYSA-N -1 3 286.722 3.370 20 0 CGADHM CSc1cc(Nc2cccc(Cl)c2[O-])n(C)n1 ZINC001210219996 814349209 /nfs/dbraw/zinc/34/92/09/814349209.db2.gz TZRAHTSILADEJW-UHFFFAOYSA-N -1 3 269.757 3.245 20 0 CGADHM [O-]c1c(Cl)cccc1Nc1ccccc1-n1cncn1 ZINC001210223400 814350392 /nfs/dbraw/zinc/35/03/92/814350392.db2.gz STXBTBDHCZQUCY-UHFFFAOYSA-N -1 3 286.722 3.370 20 0 CGADHM COc1ccc(CO)c(Nc2cccc(Cl)c2[O-])c1 ZINC001210223789 814351924 /nfs/dbraw/zinc/35/19/24/814351924.db2.gz VGUBOYJAHOHVGE-UHFFFAOYSA-N -1 3 279.723 3.290 20 0 CGADHM CC(C)n1cc(Nc2cc([O-])c(F)cc2F)cn1 ZINC001210322427 814405250 /nfs/dbraw/zinc/40/52/50/814405250.db2.gz JWFFNTJFNJSJRJ-UHFFFAOYSA-N -1 3 253.252 3.191 20 0 CGADHM Cc1ccc(-c2cc([N-]c3ccn(C)n3)on2)cc1 ZINC001210347440 814415079 /nfs/dbraw/zinc/41/50/79/814415079.db2.gz HYNPPONRWAGHDS-UHFFFAOYSA-N -1 3 254.293 3.127 20 0 CGADHM Cn1ccc([N-]c2cc(-c3ccc(F)c(F)c3)no2)n1 ZINC001210347848 814415130 /nfs/dbraw/zinc/41/51/30/814415130.db2.gz LUCADQSPDGMYKB-UHFFFAOYSA-N -1 3 276.246 3.097 20 0 CGADHM [O-]c1cccc(Nc2cnn(C(F)(F)F)c2)c1Cl ZINC001210362505 814421851 /nfs/dbraw/zinc/42/18/51/814421851.db2.gz RRNZWRKVXXSDTA-UHFFFAOYSA-N -1 3 277.633 3.462 20 0 CGADHM O=c1[n-]cncc1NC=Cc1ccccc1C(F)(F)F ZINC001210429345 814453564 /nfs/dbraw/zinc/45/35/64/814453564.db2.gz RXUSWCBCNCVQOB-AATRIKPKSA-N -1 3 281.237 3.284 20 0 CGADHM COc1cc2ccccc2c(Nc2cnc(C)[n-]c2=O)c1 ZINC001210587920 814543185 /nfs/dbraw/zinc/54/31/85/814543185.db2.gz LSPKMUAXBHMEMQ-UHFFFAOYSA-N -1 3 281.315 3.396 20 0 CGADHM CC(C)(O)c1ccc(Nc2ncc(Cl)cc2[O-])cc1 ZINC001210618082 814559017 /nfs/dbraw/zinc/55/90/17/814559017.db2.gz VONHUGOUTDQPQT-UHFFFAOYSA-N -1 3 278.739 3.412 20 0 CGADHM Cc1ccc(CO)cc1Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001210678501 814582609 /nfs/dbraw/zinc/58/26/09/814582609.db2.gz SCYXTXADGHMSBX-UHFFFAOYSA-N -1 3 295.342 3.122 20 0 CGADHM O=c1cc(Nc2cccc([O-])c2Cl)nc(C2CC2)[nH]1 ZINC001210844500 814649085 /nfs/dbraw/zinc/64/90/85/814649085.db2.gz LCSIIYODLDGDCW-UHFFFAOYSA-N -1 3 277.711 3.162 20 0 CGADHM Nc1ccc(Cl)nc1Nc1cccc([O-])c1Cl ZINC001210851605 814651129 /nfs/dbraw/zinc/65/11/29/814651129.db2.gz FUXQRPBZFOMADY-UHFFFAOYSA-N -1 3 270.119 3.420 20 0 CGADHM O=C1COc2cc(Nc3cccc([O-])c3Cl)ccc2N1 ZINC001210854146 814652119 /nfs/dbraw/zinc/65/21/19/814652119.db2.gz CQLYPQALBIQZBG-UHFFFAOYSA-N -1 3 290.706 3.120 20 0 CGADHM NC(=O)c1cccc(F)c1Nc1cccc([O-])c1Cl ZINC001210859467 814653500 /nfs/dbraw/zinc/65/35/00/814653500.db2.gz IRTQQPFEUBMFFB-UHFFFAOYSA-N -1 3 280.686 3.027 20 0 CGADHM O=C1NCCc2c(Nc3cccc([O-])c3Cl)cccc21 ZINC001210860393 814655226 /nfs/dbraw/zinc/65/52/26/814655226.db2.gz YZAQFPNBZKOCBO-UHFFFAOYSA-N -1 3 288.734 3.075 20 0 CGADHM CCCn1nccc1Nc1cccc([O-])c1Cl ZINC001210917873 814675493 /nfs/dbraw/zinc/67/54/93/814675493.db2.gz PMWRACVZUPNJOJ-UHFFFAOYSA-N -1 3 251.717 3.396 20 0 CGADHM CN1CCN(c2ccc(Nc3cccc([S-])c3)cc2)CC1 ZINC001210947475 814686369 /nfs/dbraw/zinc/68/63/69/814686369.db2.gz NZFJAOHIBXKJRY-UHFFFAOYSA-N -1 3 299.443 3.471 20 0 CGADHM CC(C)Oc1cc(Nc2ncc(Cl)cc2[O-])ccn1 ZINC001215766049 815582059 /nfs/dbraw/zinc/58/20/59/815582059.db2.gz BDBMYSQPQUKWQV-UHFFFAOYSA-N -1 3 279.727 3.366 20 0 CGADHM Nc1cc2nn(-c3ccc(F)c([O-])c3)cc2cc1Cl ZINC001211221396 814855041 /nfs/dbraw/zinc/85/50/41/814855041.db2.gz XSUCXRYBHRJUTB-UHFFFAOYSA-N -1 3 277.686 3.106 20 0 CGADHM Cc1cc(Nc2ncc(F)cc2[O-])cc(Cl)c1O ZINC001216085017 815687776 /nfs/dbraw/zinc/68/77/76/815687776.db2.gz NJZZISXLBBPQTJ-UHFFFAOYSA-N -1 3 268.675 3.337 20 0 CGADHM CC(=O)c1cccc(O)c1Nc1cc(C)c(F)c([O-])c1 ZINC001216084168 815688351 /nfs/dbraw/zinc/68/83/51/815688351.db2.gz XLOKEHXASLYARM-UHFFFAOYSA-N -1 3 275.279 3.492 20 0 CGADHM Cc1nnc([N-]c2cc(F)cc(N3CCCCC3)c2)o1 ZINC001216177406 815721974 /nfs/dbraw/zinc/72/19/74/815721974.db2.gz BDYXGXNLGZHIJH-UHFFFAOYSA-N -1 3 276.315 3.251 20 0 CGADHM Cc1cc(Cl)ccc1Nc1ccc(C(N)=O)c([O-])c1 ZINC001216432433 815828091 /nfs/dbraw/zinc/82/80/91/815828091.db2.gz KOMBXCXXTONRMW-UHFFFAOYSA-N -1 3 276.723 3.197 20 0 CGADHM Cc1cccc([O-])c1-c1nc(-c2cccc(N(C)C)c2)no1 ZINC001216536648 815853671 /nfs/dbraw/zinc/85/36/71/815853671.db2.gz PBCZPIXZBAJQGG-UHFFFAOYSA-N -1 3 295.342 3.484 20 0 CGADHM Cc1nc(-c2noc(-c3nc4ccccc4[n-]3)n2)ccc1F ZINC001217136608 815910541 /nfs/dbraw/zinc/91/05/41/815910541.db2.gz WPUBXFZARKXGQE-UHFFFAOYSA-N -1 3 295.277 3.122 20 0 CGADHM Cc1cc(C)c(-c2noc(-c3nc4ccccc4[n-]3)n2)cn1 ZINC001217136633 815910911 /nfs/dbraw/zinc/91/09/11/815910911.db2.gz XYDSAWPJTYYKRN-UHFFFAOYSA-N -1 3 291.314 3.292 20 0 CGADHM Cc1nc2ccccc2c(C(=O)Nc2cccc(N)c2)c1[O-] ZINC001218828790 816253933 /nfs/dbraw/zinc/25/39/33/816253933.db2.gz MKIBWPYPPSTRBR-UHFFFAOYSA-N -1 3 293.326 3.083 20 0 CGADHM CSc1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1F ZINC001242977654 823196784 /nfs/dbraw/zinc/19/67/84/823196784.db2.gz VKKCEZHNYSMZEH-UHFFFAOYSA-N -1 3 286.335 3.395 20 0 CGADHM CSc1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1F ZINC001242977654 823196786 /nfs/dbraw/zinc/19/67/86/823196786.db2.gz VKKCEZHNYSMZEH-UHFFFAOYSA-N -1 3 286.335 3.395 20 0 CGADHM FC(F)(F)c1cc(-c2cnccc2Cl)nc(=S)[n-]1 ZINC001243043765 823222130 /nfs/dbraw/zinc/22/21/30/823222130.db2.gz BVRASZLUHIIXIW-UHFFFAOYSA-N -1 3 291.685 3.500 20 0 CGADHM CCOC(=O)Cc1ccc(-c2ccc(F)c([O-])c2)cc1F ZINC001243046504 823224216 /nfs/dbraw/zinc/22/42/16/823224216.db2.gz JZNOYSDLPQBLOG-UHFFFAOYSA-N -1 3 292.281 3.443 20 0 CGADHM [O-]c1cc(-c2cncc(OC(F)(F)F)c2)ccc1F ZINC001243047418 823224950 /nfs/dbraw/zinc/22/49/50/823224950.db2.gz SFXAGLMWFNFWHZ-UHFFFAOYSA-N -1 3 273.185 3.492 20 0 CGADHM [O-]c1cc(-c2ccc(C(F)(F)F)nn2)ccc1F ZINC001243047142 823224959 /nfs/dbraw/zinc/22/49/59/823224959.db2.gz BYTQRPIRBNELOK-UHFFFAOYSA-N -1 3 258.174 3.007 20 0 CGADHM CC(C)COc1cncc(-c2ccc(F)c([O-])c2)n1 ZINC001243049145 823225452 /nfs/dbraw/zinc/22/54/52/823225452.db2.gz PUTXYEHPCYBANW-UHFFFAOYSA-N -1 3 262.284 3.023 20 0 CGADHM C[C@H]1CCc2nnc(-c3ccc(F)c([O-])c3)cc2C1 ZINC001243048972 823225764 /nfs/dbraw/zinc/22/57/64/823225764.db2.gz JKGZOSKOJGQXOA-VIFPVBQESA-N -1 3 258.296 3.113 20 0 CGADHM CCC(=O)NCc1cccc(-c2ccc(F)c([O-])c2)c1 ZINC001243048847 823226120 /nfs/dbraw/zinc/22/61/20/823226120.db2.gz JUNDANKRRVLDID-UHFFFAOYSA-N -1 3 273.307 3.225 20 0 CGADHM CCCCN(C)c1cncc(-c2ccc(F)c([O-])c2)n1 ZINC001243048965 823226152 /nfs/dbraw/zinc/22/61/52/823226152.db2.gz JKEBDVUOZOANLM-UHFFFAOYSA-N -1 3 275.327 3.225 20 0 CGADHM CC(C)(C)NC(=O)c1ccc(-c2ccc(F)c([O-])c2)nc1 ZINC001243054266 823229902 /nfs/dbraw/zinc/22/99/02/823229902.db2.gz MEAQCANZJNVSFM-UHFFFAOYSA-N -1 3 288.322 3.122 20 0 CGADHM COC(=O)c1cc(F)cc(-c2ccc(F)c([O-])c2)c1C ZINC001243061107 823232121 /nfs/dbraw/zinc/23/21/21/823232121.db2.gz DKQAMHWRUSMOLV-UHFFFAOYSA-N -1 3 278.254 3.432 20 0 CGADHM [O-]c1cc(-c2cc(C3OCCO3)ccc2F)ccc1F ZINC001243063993 823233771 /nfs/dbraw/zinc/23/37/71/823233771.db2.gz YPYMTVSLMOUCDP-UHFFFAOYSA-N -1 3 278.254 3.383 20 0 CGADHM [O-]c1coc2cc(O[C@@H]3CC4CCC3CC4)ccc12 ZINC001225343382 817020175 /nfs/dbraw/zinc/02/01/75/817020175.db2.gz VHJULOWGLMHSCK-QKFMDRJYSA-N -1 3 258.317 3.219 20 0 CGADHM Cc1cnc(=S)[n-]c1O[C@H](C)c1ccc(F)c(F)c1 ZINC001225742862 817164198 /nfs/dbraw/zinc/16/41/98/817164198.db2.gz QFALAGQNGNWCFI-MRVPVSSYSA-N -1 3 282.315 3.492 20 0 CGADHM Cc1c(=O)[n-]cnc1O[C@@H](C)c1cc(-c2ccccc2)no1 ZINC001226077323 817267676 /nfs/dbraw/zinc/26/76/76/817267676.db2.gz RCXVSAVHLYOYHQ-NSHDSACASA-N -1 3 297.314 3.286 20 0 CGADHM Cc1ccc(COc2nc[n-]c(=O)c2C)c(OC(C)C)c1 ZINC001226077675 817268067 /nfs/dbraw/zinc/26/80/67/817268067.db2.gz TYKOKIJBLHMJOE-UHFFFAOYSA-N -1 3 288.347 3.165 20 0 CGADHM CC[C@@H](Oc1c([O-])ccc(C(C)=O)c1O)C(C)C ZINC001226486863 817373164 /nfs/dbraw/zinc/37/31/64/817373164.db2.gz ZTFZJLFLRYIATB-GFCCVEGCSA-N -1 3 252.310 3.114 20 0 CGADHM Cc1cc(=O)oc2cc([O-])c(O[C@H]3CCC(F)(F)C3)cc12 ZINC001226537985 817390814 /nfs/dbraw/zinc/39/08/14/817390814.db2.gz ONZGOPAFTLFGTL-VIFPVBQESA-N -1 3 296.269 3.374 20 0 CGADHM CC(C)C[C@H](C)Oc1c([O-])ccc2ccc(=O)oc21 ZINC001226594813 817408484 /nfs/dbraw/zinc/40/84/84/817408484.db2.gz CIHQUQPBZNEEDD-JTQLQIEISA-N -1 3 262.305 3.312 20 0 CGADHM CCCCOC[C@H](C)Oc1c([O-])ccc2ccc(=O)oc21 ZINC001226596891 817409779 /nfs/dbraw/zinc/40/97/79/817409779.db2.gz OOCXGLKOZRELQU-NSHDSACASA-N -1 3 292.331 3.083 20 0 CGADHM Cc1cc(O[C@@H]2CCc3cccc(C)c32)[n-]c(=S)n1 ZINC001226800647 817469857 /nfs/dbraw/zinc/46/98/57/817469857.db2.gz IOAWULUGBDEIGA-GFCCVEGCSA-N -1 3 272.373 3.448 20 0 CGADHM COc1ccc([C@@H](C)Oc2ccnc(=S)[n-]2)c(F)c1 ZINC001226943233 817512650 /nfs/dbraw/zinc/51/26/50/817512650.db2.gz RXSVZVHOGQZGAU-MRVPVSSYSA-N -1 3 280.324 3.053 20 0 CGADHM C[C@H](Oc1cc(=O)[n-]cn1)c1csc(Cl)c1 ZINC001226946228 817512843 /nfs/dbraw/zinc/51/28/43/817512843.db2.gz HRHCEBCPSHVKMS-LURJTMIESA-N -1 3 256.714 3.037 20 0 CGADHM CC(C)C[C@H](Cc1ccccc1)Oc1ccc(=O)[n-]n1 ZINC001227093477 817556612 /nfs/dbraw/zinc/55/66/12/817556612.db2.gz MIHLWENJMQUZFI-CQSZACIVSA-N -1 3 272.348 3.218 20 0 CGADHM CCCc1cc(O[C@H](C)c2cccnc2F)[n-]c(=S)n1 ZINC001227421690 817645231 /nfs/dbraw/zinc/64/52/31/817645231.db2.gz ICKQGQGEGOPOLB-SECBINFHSA-N -1 3 293.367 3.392 20 0 CGADHM COC1=CC[C@H](Oc2cc(=O)cc(C(F)(F)F)[n-]2)CC1 ZINC001227582990 817676662 /nfs/dbraw/zinc/67/66/62/817676662.db2.gz ICQWDYHZCRSKON-JTQLQIEISA-N -1 3 289.253 3.268 20 0 CGADHM O=c1cc(O[C@H]2CCc3cccnc32)[n-]c(C(F)(F)F)c1 ZINC001227587639 817677463 /nfs/dbraw/zinc/67/74/63/817677463.db2.gz WVDLHDLFBBPHGO-JTQLQIEISA-N -1 3 296.248 3.267 20 0 CGADHM O=c1cc(OC2Cc3ccccc3C2)[n-]c(C(F)(F)F)c1 ZINC001227587268 817677821 /nfs/dbraw/zinc/67/78/21/817677821.db2.gz QTRGHQJAFTVIOM-UHFFFAOYSA-N -1 3 295.260 3.352 20 0 CGADHM [O-]c1cc(Cl)cnc1O[C@H]1CCOc2ccccc21 ZINC001227980565 817771158 /nfs/dbraw/zinc/77/11/58/817771158.db2.gz PWQVQZGKHQXCOP-ZDUSSCGKSA-N -1 3 277.707 3.343 20 0 CGADHM CCO[C@H](C)COc1cc(-c2ccccc2)nc(=S)[n-]1 ZINC001228346266 817883935 /nfs/dbraw/zinc/88/39/35/817883935.db2.gz CLWSALUXCIMKAR-LLVKDONJSA-N -1 3 290.388 3.236 20 0 CGADHM Cc1cc(=O)oc2c1ccc([O-])c2O[C@@H](C)C(C)C ZINC001228623989 817955854 /nfs/dbraw/zinc/95/58/54/817955854.db2.gz WANCLZRXPOKADM-JTQLQIEISA-N -1 3 262.305 3.230 20 0 CGADHM Cc1cc(=O)oc2c1ccc([O-])c2O[C@H]1C[C@H]2C=C[C@@H]1C2 ZINC001228621958 817956123 /nfs/dbraw/zinc/95/61/23/817956123.db2.gz FOIPKSAWIHRMHK-WDMOLILDSA-N -1 3 284.311 3.150 20 0 CGADHM Cc1cc(=O)oc2c1ccc([O-])c2O[C@H](C)c1cccnc1 ZINC001228623550 817956160 /nfs/dbraw/zinc/95/61/60/817956160.db2.gz SATGPHHYHRLTOC-LLVKDONJSA-N -1 3 297.310 3.342 20 0 CGADHM Cc1cc(=O)oc2c1ccc([O-])c2O[C@H]1CCC(F)(F)C1 ZINC001228625344 817956254 /nfs/dbraw/zinc/95/62/54/817956254.db2.gz QLWFKZZGMRQEHN-VIFPVBQESA-N -1 3 296.269 3.374 20 0 CGADHM CCCC[C@H](CC)Oc1nnc(-c2cccnc2)[n-]1 ZINC001228694657 817974534 /nfs/dbraw/zinc/97/45/34/817974534.db2.gz CZBRHALRKUOYFX-LBPRGKRZSA-N -1 3 260.341 3.214 20 0 CGADHM CCCC[C@H](CC)Oc1nc(-c2cccnc2)n[n-]1 ZINC001228694657 817974543 /nfs/dbraw/zinc/97/45/43/817974543.db2.gz CZBRHALRKUOYFX-LBPRGKRZSA-N -1 3 260.341 3.214 20 0 CGADHM CCCC[C@H](CC)Oc1n[n-]c(-c2cccnc2)n1 ZINC001228694657 817974550 /nfs/dbraw/zinc/97/45/50/817974550.db2.gz CZBRHALRKUOYFX-LBPRGKRZSA-N -1 3 260.341 3.214 20 0 CGADHM CC(C)CC[C@@H](C)Oc1n[n-]c(-c2ccncc2)n1 ZINC001228697360 817976973 /nfs/dbraw/zinc/97/69/73/817976973.db2.gz KFHFYJMPBGTBFF-LLVKDONJSA-N -1 3 260.341 3.070 20 0 CGADHM C[C@H]1C[C@@H](Oc2n[n-]c(-c3ccncc3)n2)CC(C)(C)C1 ZINC001228698077 817977667 /nfs/dbraw/zinc/97/76/67/817977667.db2.gz SFWIVLONHUQJLL-WCQYABFASA-N -1 3 286.379 3.460 20 0 CGADHM Cc1ccccc1[C@H](C)Oc1nnc(-c2cccnc2)[n-]1 ZINC001228697481 817977783 /nfs/dbraw/zinc/97/77/83/817977783.db2.gz JEXIPDIAPGVBGG-LBPRGKRZSA-N -1 3 280.331 3.315 20 0 CGADHM Cc1ccccc1[C@H](C)Oc1nc(-c2cccnc2)n[n-]1 ZINC001228697481 817977790 /nfs/dbraw/zinc/97/77/90/817977790.db2.gz JEXIPDIAPGVBGG-LBPRGKRZSA-N -1 3 280.331 3.315 20 0 CGADHM Cc1ccccc1[C@H](C)Oc1n[n-]c(-c2cccnc2)n1 ZINC001228697481 817977793 /nfs/dbraw/zinc/97/77/93/817977793.db2.gz JEXIPDIAPGVBGG-LBPRGKRZSA-N -1 3 280.331 3.315 20 0 CGADHM C[C@H](Oc1cc2c(cc1[O-])CCC2=O)c1ccccn1 ZINC001228854611 818022894 /nfs/dbraw/zinc/02/28/94/818022894.db2.gz USBJWAYQGIHPHF-JTQLQIEISA-N -1 3 269.300 3.056 20 0 CGADHM C[C@@H](Oc1cccc(-c2nnn[n-]2)c1)c1cccs1 ZINC001231114814 818032783 /nfs/dbraw/zinc/03/27/83/818032783.db2.gz ARERQHNVMIKTDK-SECBINFHSA-N -1 3 272.333 3.068 20 0 CGADHM C[C@@H](Oc1cccc(-c2nn[n-]n2)c1)c1cccs1 ZINC001231114814 818032784 /nfs/dbraw/zinc/03/27/84/818032784.db2.gz ARERQHNVMIKTDK-SECBINFHSA-N -1 3 272.333 3.068 20 0 CGADHM C[C@@H]1CC[C@H](C)[C@H](Oc2cccc(-c3nnn[n-]3)c2)C1 ZINC001231118500 818035389 /nfs/dbraw/zinc/03/53/89/818035389.db2.gz PRHONVHRQMIDBL-UHIISALHSA-N -1 3 272.352 3.070 20 0 CGADHM C[C@@H]1CC[C@H](C)[C@H](Oc2cccc(-c3nn[n-]n3)c2)C1 ZINC001231118500 818035394 /nfs/dbraw/zinc/03/53/94/818035394.db2.gz PRHONVHRQMIDBL-UHIISALHSA-N -1 3 272.352 3.070 20 0 CGADHM [O-]c1ccc(CN2CC3(CCC3)C2)cc1C(F)(F)F ZINC001231523682 818120250 /nfs/dbraw/zinc/12/02/50/818120250.db2.gz VJKAYJMGBXTCBH-UHFFFAOYSA-N -1 3 271.282 3.397 20 0 CGADHM [O-]c1cccc(CN2CC[C@@]3(C2)CCCCO3)c1Cl ZINC001232784872 818439254 /nfs/dbraw/zinc/43/92/54/818439254.db2.gz XCCGEPNEMNHEFT-OAHLLOKOSA-N -1 3 281.783 3.191 20 0 CGADHM [O-]c1c(F)ccc(CN2C[C@@H]3CC(F)(F)C[C@@H]3C2)c1F ZINC001232933570 818474843 /nfs/dbraw/zinc/47/48/43/818474843.db2.gz LLNHJAASGGPZLX-AOOOYVTPSA-N -1 3 289.272 3.148 20 0 CGADHM [O-]c1c(F)ccc(CN2CC[C@H](c3ccncc3)C2)c1F ZINC001232934649 818474980 /nfs/dbraw/zinc/47/49/80/818474980.db2.gz CPKYJNINYDOQAI-LBPRGKRZSA-N -1 3 290.313 3.055 20 0 CGADHM CC[C@@H]1CCCCN1Cc1ccc(F)c([O-])c1F ZINC001232938093 818477072 /nfs/dbraw/zinc/47/70/72/818477072.db2.gz ZULSHRDVYFVXOP-LLVKDONJSA-N -1 3 255.308 3.435 20 0 CGADHM [O-]c1cc(CN2CC[C@H]3CCC[C@@H]3C2)cc(F)c1F ZINC001232971060 818488470 /nfs/dbraw/zinc/48/84/70/818488470.db2.gz SKHVLBOKKGXQLW-VXGBXAGGSA-N -1 3 267.319 3.292 20 0 CGADHM [O-]c1cccc(CN2CC[C@H]2c2ccccc2)c1F ZINC001233057753 818515797 /nfs/dbraw/zinc/51/57/97/818515797.db2.gz OBWWTQRWWFEWMY-AWEZNQCLSA-N -1 3 257.308 3.478 20 0 CGADHM CCN(Cc1ccc([S-])cc1)Cc1ccccn1 ZINC001233261826 818560758 /nfs/dbraw/zinc/56/07/58/818560758.db2.gz GFPOBFMDDKMIAJ-UHFFFAOYSA-N -1 3 258.390 3.392 20 0 CGADHM CC[C@@H]1OC(=O)C(Oc2cc(Cl)c([O-])cc2C)=C1C ZINC001233591148 818650961 /nfs/dbraw/zinc/65/09/61/818650961.db2.gz DQCLVCVKRNPGBF-NSHDSACASA-N -1 3 282.723 3.342 20 0 CGADHM CCOC(=O)C1CC(Oc2cc(Cl)c([O-])cc2C)C1 ZINC001233592093 818652719 /nfs/dbraw/zinc/65/27/19/818652719.db2.gz JLHRLHKAYXNSHY-UHFFFAOYSA-N -1 3 284.739 3.075 20 0 CGADHM C[C@@H]1CC(Oc2ccc3occ([O-])c3c2)C[C@@H](C)C1 ZINC001233677067 818677618 /nfs/dbraw/zinc/67/76/18/818677618.db2.gz DWFOEVBKAMVSQG-QWRGUYRKSA-N -1 3 260.333 3.465 20 0 CGADHM Cc1cnc(F)c([C@@H](C)Oc2ccc3occ([O-])c3c2)c1 ZINC001233681704 818678853 /nfs/dbraw/zinc/67/88/53/818678853.db2.gz YTUBBZWGNYRJLO-SNVBAGLBSA-N -1 3 287.290 3.244 20 0 CGADHM C[C@H](Oc1cccc([O-])c1F)c1cccnc1F ZINC001233870985 818721846 /nfs/dbraw/zinc/72/18/46/818721846.db2.gz KOKHMXCPGVWIDP-QMMMGPOBSA-N -1 3 251.232 3.205 20 0 CGADHM CC(C)CCC[C@@H](C)Oc1cccc([O-])c1C(N)=O ZINC001234149607 818792328 /nfs/dbraw/zinc/79/23/28/818792328.db2.gz PNWRYTXQVZOUIC-LLVKDONJSA-N -1 3 265.353 3.085 20 0 CGADHM O=C1CCCC[C@H]1Oc1c(Cl)ccc([O-])c1F ZINC001234263159 818820137 /nfs/dbraw/zinc/82/01/37/818820137.db2.gz SWJQEXIENDHZFJ-SNVBAGLBSA-N -1 3 258.676 3.075 20 0 CGADHM C[C@@H](Oc1c([O-])cc(Cl)cc1F)c1cnccn1 ZINC001234444668 818855735 /nfs/dbraw/zinc/85/57/35/818855735.db2.gz SLSIAAFSQWKOPY-SSDOTTSWSA-N -1 3 268.675 3.115 20 0 CGADHM COc1ccccc1[C@H](C)Oc1nc2c(cccc2[O-])[nH]1 ZINC001234449231 818858952 /nfs/dbraw/zinc/85/89/52/818858952.db2.gz JTCLFUGRDIWXGN-JTQLQIEISA-N -1 3 284.315 3.417 20 0 CGADHM CCC(CC)Oc1c(C)c([O-])cc(OC)c1C(C)=O ZINC001234790847 818923870 /nfs/dbraw/zinc/92/38/70/818923870.db2.gz KFNRXGHLFBMHBL-UHFFFAOYSA-N -1 3 266.337 3.479 20 0 CGADHM c1cc2nc(OC[C@H]3CC[C@@]4(CCCCO4)O3)[n-]c2s1 ZINC001234847103 818932096 /nfs/dbraw/zinc/93/20/96/818932096.db2.gz GMIQXTFGZCPEDF-QMTHXVAHSA-N -1 3 294.376 3.079 20 0 CGADHM c1cc2[n-]c(OC[C@H]3CC[C@@]4(CCCCO4)O3)nc2s1 ZINC001234847103 818932098 /nfs/dbraw/zinc/93/20/98/818932098.db2.gz GMIQXTFGZCPEDF-QMTHXVAHSA-N -1 3 294.376 3.079 20 0 CGADHM [O-]c1cc(Cl)cc(-c2nccc(C(F)F)n2)c1 ZINC001235898465 819207646 /nfs/dbraw/zinc/20/76/46/819207646.db2.gz IBDIKWLAFBKAJR-UHFFFAOYSA-N -1 3 256.639 3.440 20 0 CGADHM CSc1cc(-c2cc([O-])cc(Cl)c2)ncn1 ZINC001235900526 819211192 /nfs/dbraw/zinc/21/11/92/819211192.db2.gz OOAAZYFCSUUXEC-UHFFFAOYSA-N -1 3 252.726 3.225 20 0 CGADHM CCOc1cc(C)ccc1-c1cccc(-c2nnn[n-]2)c1 ZINC001243407654 823394873 /nfs/dbraw/zinc/39/48/73/823394873.db2.gz PEXVTGRXSXMARC-UHFFFAOYSA-N -1 3 280.331 3.241 20 0 CGADHM CCOc1cc(C)ccc1-c1cccc(-c2nn[n-]n2)c1 ZINC001243407654 823394881 /nfs/dbraw/zinc/39/48/81/823394881.db2.gz PEXVTGRXSXMARC-UHFFFAOYSA-N -1 3 280.331 3.241 20 0 CGADHM COc1ccc(-c2nnn[n-]2)cc1-c1cccc(C2CC2)c1 ZINC001236085658 819308077 /nfs/dbraw/zinc/30/80/77/819308077.db2.gz XUXMULGUDBKEFL-UHFFFAOYSA-N -1 3 292.342 3.420 20 0 CGADHM COc1ccc(-c2nn[n-]n2)cc1-c1cccc(C2CC2)c1 ZINC001236085658 819308082 /nfs/dbraw/zinc/30/80/82/819308082.db2.gz XUXMULGUDBKEFL-UHFFFAOYSA-N -1 3 292.342 3.420 20 0 CGADHM [O-]c1cc(CN2CCC[C@H](C(F)(F)F)C2)ccc1F ZINC001236705159 819576452 /nfs/dbraw/zinc/57/64/52/819576452.db2.gz FUVYPNWNECCZLC-JTQLQIEISA-N -1 3 277.261 3.306 20 0 CGADHM [O-]c1cc(CN2CCC[C@@H](F)C(F)(F)C2)ccc1F ZINC001236703291 819577007 /nfs/dbraw/zinc/57/70/07/819577007.db2.gz MVEZKKSZMDXJRD-GFCCVEGCSA-N -1 3 277.261 3.101 20 0 CGADHM [O-]c1cc(F)cc(CN2CCOC[C@@H]2C2CCCCC2)c1 ZINC001237285764 819717788 /nfs/dbraw/zinc/71/77/88/819717788.db2.gz AEQDJAJMZKIQJA-QGZVFWFLSA-N -1 3 293.382 3.312 20 0 CGADHM [O-]c1cccc(-c2ccc(OC(F)(F)F)cn2)c1F ZINC001243544728 823437315 /nfs/dbraw/zinc/43/73/15/823437315.db2.gz VAHHXEBCNFSJOX-UHFFFAOYSA-N -1 3 273.185 3.492 20 0 CGADHM Nc1ccc2cc(-c3cccc([O-])c3F)ccc2n1 ZINC001243545831 823437954 /nfs/dbraw/zinc/43/79/54/823437954.db2.gz PWXBNJMTKNARLC-UHFFFAOYSA-N -1 3 254.264 3.329 20 0 CGADHM [O-]c1cccc(-c2cc(OCC3CC3)ccn2)c1F ZINC001243545733 823437959 /nfs/dbraw/zinc/43/79/59/823437959.db2.gz DYFGBDRPGYJCLZ-UHFFFAOYSA-N -1 3 259.280 3.382 20 0 CGADHM [O-]c1cccc(-c2cc(OC(F)(F)F)ccn2)c1F ZINC001243547568 823439595 /nfs/dbraw/zinc/43/95/95/823439595.db2.gz XLOMJJREWKGBJH-UHFFFAOYSA-N -1 3 273.185 3.492 20 0 CGADHM CC(C)COc1ncc(-c2cccc([O-])c2F)cn1 ZINC001243546991 823439709 /nfs/dbraw/zinc/43/97/09/823439709.db2.gz WXSQDTHCCNPTNY-UHFFFAOYSA-N -1 3 262.284 3.023 20 0 CGADHM COC(=O)Nc1cccc(-c2cccc([O-])c2F)c1 ZINC001243547412 823439939 /nfs/dbraw/zinc/43/99/39/823439939.db2.gz RYEQNHBZZAKHKH-UHFFFAOYSA-N -1 3 261.252 3.377 20 0 CGADHM C[C@H]1CCCN1Cc1c(Br)ccc([O-])c1F ZINC001238307932 819973005 /nfs/dbraw/zinc/97/30/05/819973005.db2.gz ZDWGRHRYQFUFRJ-QMMMGPOBSA-N -1 3 288.160 3.278 20 0 CGADHM COC(=O)c1cnccc1-c1ccc(C(F)(F)F)cc1[O-] ZINC001243611847 823467159 /nfs/dbraw/zinc/46/71/59/823467159.db2.gz QCBILKVUWDJEMH-UHFFFAOYSA-N -1 3 297.232 3.260 20 0 CGADHM CCc1ccccc1-c1ccc(-c2nnn[n-]2)cc1C ZINC001239749410 820572025 /nfs/dbraw/zinc/57/20/25/820572025.db2.gz YREGDFBFOGKFSZ-UHFFFAOYSA-N -1 3 264.332 3.405 20 0 CGADHM CCc1ccccc1-c1ccc(-c2nn[n-]n2)cc1C ZINC001239749410 820572029 /nfs/dbraw/zinc/57/20/29/820572029.db2.gz YREGDFBFOGKFSZ-UHFFFAOYSA-N -1 3 264.332 3.405 20 0 CGADHM Cc1sccc1-c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001240501653 821098338 /nfs/dbraw/zinc/09/83/38/821098338.db2.gz GDDIECKHPREQDN-UHFFFAOYSA-N -1 3 260.297 3.043 20 0 CGADHM Cc1sccc1-c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001240501653 821098347 /nfs/dbraw/zinc/09/83/47/821098347.db2.gz GDDIECKHPREQDN-UHFFFAOYSA-N -1 3 260.297 3.043 20 0 CGADHM S=c1ccc(-c2ccc(N3CCCC3)cc2)n[n-]1 ZINC001240589334 821171433 /nfs/dbraw/zinc/17/14/33/821171433.db2.gz PJQHPJRKNKNYRX-UHFFFAOYSA-N -1 3 257.362 3.033 20 0 CGADHM Cc1cc(F)cc(-c2ccc(C)c(-c3nnn[n-]3)c2)c1 ZINC001240597401 821179240 /nfs/dbraw/zinc/17/92/40/821179240.db2.gz YWEZQEWXWQAERK-UHFFFAOYSA-N -1 3 268.295 3.290 20 0 CGADHM Cc1cc(F)cc(-c2ccc(C)c(-c3nn[n-]n3)c2)c1 ZINC001240597401 821179243 /nfs/dbraw/zinc/17/92/43/821179243.db2.gz YWEZQEWXWQAERK-UHFFFAOYSA-N -1 3 268.295 3.290 20 0 CGADHM CCOC(=O)c1cc(C)cc(-c2ccc([O-])c(F)c2)n1 ZINC001240782932 821321495 /nfs/dbraw/zinc/32/14/95/821321495.db2.gz JUNCZTJHQDDETE-UHFFFAOYSA-N -1 3 275.279 3.078 20 0 CGADHM C[C@@H]1C(=O)Nc2cc(-c3ccc([O-])c(F)c3)ccc21 ZINC001240785657 821325370 /nfs/dbraw/zinc/32/53/70/821325370.db2.gz LGNOTMHQNAMTIS-QMMMGPOBSA-N -1 3 257.264 3.254 20 0 CGADHM CC1(C)CC(=O)Nc2nc(-c3ccc([O-])c(F)c3)ccc21 ZINC001240786098 821325538 /nfs/dbraw/zinc/32/55/38/821325538.db2.gz LQBVDICHDSGVAU-UHFFFAOYSA-N -1 3 286.306 3.213 20 0 CGADHM COC(=O)c1cc(C)ccc1-c1ccc([O-])c(F)c1 ZINC001240786865 821326744 /nfs/dbraw/zinc/32/67/44/821326744.db2.gz ZBTWIUAALHOSTO-UHFFFAOYSA-N -1 3 260.264 3.293 20 0 CGADHM COC(=O)c1nc2ccc(-c3ccc([O-])c(F)c3)cc2o1 ZINC001240786327 821326901 /nfs/dbraw/zinc/32/69/01/821326901.db2.gz GXOMAOQKKOGBGX-UHFFFAOYSA-N -1 3 287.246 3.126 20 0 CGADHM [O-]c1ccc(-c2cc(OCC3CC3)ccn2)cc1F ZINC001240786102 821327667 /nfs/dbraw/zinc/32/76/67/821327667.db2.gz LTRZZXRUWFTYQT-UHFFFAOYSA-N -1 3 259.280 3.382 20 0 CGADHM C[S@@](=N)(=O)c1ccc(-c2ccc([O-])c(F)c2)cc1 ZINC001240786321 821328018 /nfs/dbraw/zinc/32/80/18/821328018.db2.gz GTGSKRJYNVRLHP-GOSISDBHSA-N -1 3 265.309 3.234 20 0 CGADHM O=C1NCCC[C@H]1c1ccc(-c2ccc([O-])c(F)c2)cc1 ZINC001240788834 821330980 /nfs/dbraw/zinc/33/09/80/821330980.db2.gz LXJJICVUUPEZQC-AWEZNQCLSA-N -1 3 285.318 3.192 20 0 CGADHM CC1(C)CNC(=O)c2cccc(-c3ccc([O-])c(F)c3)c21 ZINC001240790932 821334501 /nfs/dbraw/zinc/33/45/01/821334501.db2.gz RAQGBHCBUPQHDL-UHFFFAOYSA-N -1 3 285.318 3.219 20 0 CGADHM Cc1ccc(F)cc1-c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001240921095 821416202 /nfs/dbraw/zinc/41/62/02/821416202.db2.gz CHXUYBJPUNWILO-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM Cc1ccc(F)cc1-c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001240921095 821416207 /nfs/dbraw/zinc/41/62/07/821416207.db2.gz CHXUYBJPUNWILO-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM CCOC(=O)c1ccc2ncnc(-c3ccccc3[O-])c2c1 ZINC001241003706 821482996 /nfs/dbraw/zinc/48/29/96/821482996.db2.gz SOCZDYBVEMKDOD-UHFFFAOYSA-N -1 3 294.310 3.179 20 0 CGADHM [O-]c1ccccc1-c1nc(-c2ccccn2)nc2c1CCC2 ZINC001241009265 821487052 /nfs/dbraw/zinc/48/70/52/821487052.db2.gz OGVMSLNOJYTOOH-UHFFFAOYSA-N -1 3 289.338 3.400 20 0 CGADHM O=S1(=O)Cc2cc(-c3c(F)cc(F)cc3F)ccc2[N-]1 ZINC001241171029 821615688 /nfs/dbraw/zinc/61/56/88/821615688.db2.gz GPKJLZNREBRRSP-UHFFFAOYSA-N -1 3 299.273 3.026 20 0 CGADHM CCc1noc(-c2ccnc(-c3cc([O-])cc(F)c3)c2)n1 ZINC001241261193 821680275 /nfs/dbraw/zinc/68/02/75/821680275.db2.gz GTGFWCILPQVWIO-UHFFFAOYSA-N -1 3 285.278 3.206 20 0 CGADHM C[C@@H]1CCc2nnc(-c3cc([O-])cc(F)c3)cc2C1 ZINC001241261360 821681631 /nfs/dbraw/zinc/68/16/31/821681631.db2.gz LJNVWCUCSWGOJB-SECBINFHSA-N -1 3 258.296 3.113 20 0 CGADHM C[C@H]1C(=O)Nc2ccc(-c3cc([O-])cc(F)c3)cc21 ZINC001241265996 821685608 /nfs/dbraw/zinc/68/56/08/821685608.db2.gz BFNCXORZOYDUGH-MRVPVSSYSA-N -1 3 257.264 3.254 20 0 CGADHM COC(=O)c1cc(C)ccc1-c1cc([O-])cc(F)c1 ZINC001241271290 821689532 /nfs/dbraw/zinc/68/95/32/821689532.db2.gz PSLQCXIMWDLGAC-UHFFFAOYSA-N -1 3 260.264 3.293 20 0 CGADHM COc1cc(F)c(F)cc1-c1cc([O-])cc(F)c1 ZINC001241271333 821690375 /nfs/dbraw/zinc/69/03/75/821690375.db2.gz CCXPBDGLPVQUDR-UHFFFAOYSA-N -1 3 254.207 3.485 20 0 CGADHM [O-]c1cc(F)cc(-c2ccccc2N2CCOCC2)c1 ZINC001241277870 821696315 /nfs/dbraw/zinc/69/63/15/821696315.db2.gz RIGPWYJJHNTQNQ-UHFFFAOYSA-N -1 3 273.307 3.035 20 0 CGADHM [O-]c1cc(F)cc(-c2cccnc2OC(F)F)c1 ZINC001241280103 821698229 /nfs/dbraw/zinc/69/82/29/821698229.db2.gz DJZXQHGNMWBDAO-UHFFFAOYSA-N -1 3 255.195 3.195 20 0 CGADHM Cc1ncc(-c2cc([O-])cc(F)c2)c(C(F)(F)F)n1 ZINC001241281468 821700681 /nfs/dbraw/zinc/70/06/81/821700681.db2.gz CIOMKEBAPGYXFR-UHFFFAOYSA-N -1 3 272.201 3.316 20 0 CGADHM [O-]c1ccc(F)c(-c2cccc3nccnc32)c1F ZINC001241291146 821708011 /nfs/dbraw/zinc/70/80/11/821708011.db2.gz KPYHRBIHEKYDND-UHFFFAOYSA-N -1 3 258.227 3.281 20 0 CGADHM CCOC(=O)c1c(F)cncc1-c1c(F)ccc([O-])c1F ZINC001241293509 821710482 /nfs/dbraw/zinc/71/04/82/821710482.db2.gz HYLYCOVVKQPWRN-UHFFFAOYSA-N -1 3 297.232 3.048 20 0 CGADHM COc1ccc(-c2c(F)ccc([O-])c2F)cc1NC(C)=O ZINC001241293497 821710739 /nfs/dbraw/zinc/71/07/39/821710739.db2.gz HNGIJIOAUDBZCA-UHFFFAOYSA-N -1 3 293.269 3.304 20 0 CGADHM [O-]c1ccc(F)c(-c2cnc3ccncc3c2)c1F ZINC001241294261 821712908 /nfs/dbraw/zinc/71/29/08/821712908.db2.gz YWQXPGKRTUJEHR-UHFFFAOYSA-N -1 3 258.227 3.281 20 0 CGADHM O=C1CSc2cc(-c3c(F)ccc([O-])c3F)ccc2N1 ZINC001241294107 821712978 /nfs/dbraw/zinc/71/29/78/821712978.db2.gz VLPLZSQHZPCBEL-UHFFFAOYSA-N -1 3 293.294 3.382 20 0 CGADHM C[S@](=O)c1ccccc1-c1ccc2c(c1)[N-]C(=S)C2 ZINC001241343176 821747487 /nfs/dbraw/zinc/74/74/87/821747487.db2.gz CJRWBNWNJOJLGE-IBGZPJMESA-N -1 3 287.409 3.386 20 0 CGADHM CN(C)Cc1cccc(-c2ccc(C(=O)[O-])c(Cl)c2)n1 ZINC001241348112 821752085 /nfs/dbraw/zinc/75/20/85/821752085.db2.gz BVBDIUNZPGAHAD-UHFFFAOYSA-N -1 3 290.750 3.162 20 0 CGADHM Cc1ccc(-c2cc(-c3nnn[n-]3)ccc2F)c(F)c1 ZINC001241354941 821755840 /nfs/dbraw/zinc/75/58/40/821755840.db2.gz FBBGMVHFWINXAS-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM Cc1ccc(-c2cc(-c3nn[n-]n3)ccc2F)c(F)c1 ZINC001241354941 821755846 /nfs/dbraw/zinc/75/58/46/821755846.db2.gz FBBGMVHFWINXAS-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM Fc1cc(-c2nnn[n-]2)cc(-c2ccc3ncccc3c2)c1 ZINC001241401392 821798106 /nfs/dbraw/zinc/79/81/06/821798106.db2.gz NYIZGDSJIKDKDR-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Fc1cc(-c2nn[n-]n2)cc(-c2ccc3ncccc3c2)c1 ZINC001241401392 821798115 /nfs/dbraw/zinc/79/81/15/821798115.db2.gz NYIZGDSJIKDKDR-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Cc1ccc2cc(-c3ccc(-c4nnn[n-]4)cc3)ccc2n1 ZINC001241442842 821837242 /nfs/dbraw/zinc/83/72/42/821837242.db2.gz GBHLVYZHUUBSCI-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM Cc1ccc2cc(-c3ccc(-c4nn[n-]n4)cc3)ccc2n1 ZINC001241442842 821837250 /nfs/dbraw/zinc/83/72/50/821837250.db2.gz GBHLVYZHUUBSCI-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM Cc1cc(F)c2[nH]ccc2c1-c1ccc(-c2nnn[n-]2)cc1 ZINC001241444465 821837814 /nfs/dbraw/zinc/83/78/14/821837814.db2.gz DJMUYAYCGRACJI-UHFFFAOYSA-N -1 3 293.305 3.463 20 0 CGADHM Cc1cc(F)c2[nH]ccc2c1-c1ccc(-c2nn[n-]n2)cc1 ZINC001241444465 821837824 /nfs/dbraw/zinc/83/78/24/821837824.db2.gz DJMUYAYCGRACJI-UHFFFAOYSA-N -1 3 293.305 3.463 20 0 CGADHM CCc1cccc(-c2ccc(Cc3nnn[n-]3)cc2)c1 ZINC001241546435 821937044 /nfs/dbraw/zinc/93/70/44/821937044.db2.gz AWKQUOIOHTWZAI-UHFFFAOYSA-N -1 3 264.332 3.020 20 0 CGADHM CCc1cccc(-c2ccc(Cc3nn[n-]n3)cc2)c1 ZINC001241546435 821937050 /nfs/dbraw/zinc/93/70/50/821937050.db2.gz AWKQUOIOHTWZAI-UHFFFAOYSA-N -1 3 264.332 3.020 20 0 CGADHM c1ccc(-c2ccc3ccncc3c2)c(-c2nnn[n-]2)c1 ZINC001241675495 822058632 /nfs/dbraw/zinc/05/86/32/822058632.db2.gz HMMKLQMUTOCTFT-UHFFFAOYSA-N -1 3 273.299 3.082 20 0 CGADHM c1ccc(-c2ccc3ccncc3c2)c(-c2nn[n-]n2)c1 ZINC001241675495 822058638 /nfs/dbraw/zinc/05/86/38/822058638.db2.gz HMMKLQMUTOCTFT-UHFFFAOYSA-N -1 3 273.299 3.082 20 0 CGADHM COc1cc(-c2cccc(-c3nnn[n-]3)c2)ccc1Cl ZINC001241735872 822114284 /nfs/dbraw/zinc/11/42/84/822114284.db2.gz VBBAZPOUGREHMR-UHFFFAOYSA-N -1 3 286.722 3.196 20 0 CGADHM COc1cc(-c2cccc(-c3nn[n-]n3)c2)ccc1Cl ZINC001241735872 822114288 /nfs/dbraw/zinc/11/42/88/822114288.db2.gz VBBAZPOUGREHMR-UHFFFAOYSA-N -1 3 286.722 3.196 20 0 CGADHM CO[C@@H](C)c1cccc(-c2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC001242037161 822298633 /nfs/dbraw/zinc/29/86/33/822298633.db2.gz MYEHWVYEBBBLGP-JTQLQIEISA-N -1 3 298.321 3.380 20 0 CGADHM CO[C@@H](C)c1cccc(-c2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC001242037161 822298639 /nfs/dbraw/zinc/29/86/39/822298639.db2.gz MYEHWVYEBBBLGP-JTQLQIEISA-N -1 3 298.321 3.380 20 0 CGADHM CO[C@@H](C)c1cccc(-c2ccc(Cc3nnn[n-]3)cc2)c1 ZINC001242037156 822298731 /nfs/dbraw/zinc/29/87/31/822298731.db2.gz MURHLIGZYNXHAS-LBPRGKRZSA-N -1 3 294.358 3.165 20 0 CGADHM CO[C@@H](C)c1cccc(-c2ccc(Cc3nn[n-]n3)cc2)c1 ZINC001242037156 822298738 /nfs/dbraw/zinc/29/87/38/822298738.db2.gz MURHLIGZYNXHAS-LBPRGKRZSA-N -1 3 294.358 3.165 20 0 CGADHM O=C1NCc2cc(-c3ccc([O-])c(C(F)(F)F)c3)ccc21 ZINC001242157829 822899396 /nfs/dbraw/zinc/89/93/96/822899396.db2.gz NBMORDBSOHZFNB-UHFFFAOYSA-N -1 3 293.244 3.321 20 0 CGADHM COC(=O)c1cc(-c2ccc(F)cc2[O-])ccc1F ZINC001242217014 822914523 /nfs/dbraw/zinc/91/45/23/822914523.db2.gz HMKKCRLDPXOCHG-UHFFFAOYSA-N -1 3 264.227 3.124 20 0 CGADHM COC(=O)c1nc2ccc(-c3ccc(F)cc3[O-])cc2o1 ZINC001242218415 822914853 /nfs/dbraw/zinc/91/48/53/822914853.db2.gz DDFUMGJBDHBUGO-UHFFFAOYSA-N -1 3 287.246 3.126 20 0 CGADHM COC(=O)c1ccc(-c2ccc(F)cc2[O-])c2cc[nH]c21 ZINC001242220715 822916621 /nfs/dbraw/zinc/91/66/21/822916621.db2.gz MISAYLFREPFDJU-UHFFFAOYSA-N -1 3 285.274 3.466 20 0 CGADHM CC(=O)Nc1ccc(C)cc1-c1ccc(F)cc1[O-] ZINC001242220768 822916803 /nfs/dbraw/zinc/91/68/03/822916803.db2.gz OWDCTTRPBJRLSC-UHFFFAOYSA-N -1 3 259.280 3.465 20 0 CGADHM CC(C)Oc1ccccc1-c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001242223994 822917946 /nfs/dbraw/zinc/91/79/46/822917946.db2.gz LSQRCZJJNMQXMA-UHFFFAOYSA-N -1 3 298.321 3.460 20 0 CGADHM CC(C)Oc1ccccc1-c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001242223994 822917947 /nfs/dbraw/zinc/91/79/47/822917947.db2.gz LSQRCZJJNMQXMA-UHFFFAOYSA-N -1 3 298.321 3.460 20 0 CGADHM Cc1cc(-c2nnn[n-]2)ccc1-c1ccc(N(C)C)c(C)c1 ZINC001242241743 822923737 /nfs/dbraw/zinc/92/37/37/822923737.db2.gz MPVDVTRRUXBBEL-UHFFFAOYSA-N -1 3 293.374 3.217 20 0 CGADHM Cc1cc(-c2nn[n-]n2)ccc1-c1ccc(N(C)C)c(C)c1 ZINC001242241743 822923740 /nfs/dbraw/zinc/92/37/40/822923740.db2.gz MPVDVTRRUXBBEL-UHFFFAOYSA-N -1 3 293.374 3.217 20 0 CGADHM O=c1ccc2ccc(-c3cccc(F)c3[O-])cc2o1 ZINC001242352457 822962686 /nfs/dbraw/zinc/96/26/86/822962686.db2.gz JBOOLPMSBVNZLE-UHFFFAOYSA-N -1 3 256.232 3.305 20 0 CGADHM CC1(C)CNc2cc(-c3cccc(F)c3[O-])cnc21 ZINC001242352975 822962847 /nfs/dbraw/zinc/96/28/47/822962847.db2.gz IYXICJOWAPYECK-UHFFFAOYSA-N -1 3 258.296 3.296 20 0 CGADHM [O-]c1cccc(OC2CC=CC2)c1Br ZINC001229139998 932102563 /nfs/dbraw/zinc/10/25/63/932102563.db2.gz QOCKCRQSQVGBGX-UHFFFAOYSA-N -1 3 255.111 3.252 20 0 CGADHM CC1(C)C[C@@H](C(=O)Nc2cc(Cl)ccc2[O-])CCO1 ZINC001338917618 936338910 /nfs/dbraw/zinc/33/89/10/936338910.db2.gz FPJVWPAJDDRKKZ-VIFPVBQESA-N -1 3 283.755 3.189 20 0 CGADHM CCc1cccc(C(=O)N(Cc2ccc(C)o2)OC)c1[O-] ZINC001347396558 936882886 /nfs/dbraw/zinc/88/28/86/936882886.db2.gz APTJZJZQHCQJMQ-UHFFFAOYSA-N -1 3 289.331 3.060 20 0 CGADHM CN(Cc1ccc(F)cc1Cl)C(C)(C)CC(=O)[O-] ZINC001350612894 936995980 /nfs/dbraw/zinc/99/59/80/936995980.db2.gz UWOJSMPSGGDUPN-UHFFFAOYSA-N -1 3 273.735 3.164 20 0 CGADHM Cc1ncc(CN[C@@H](C)c2cccc([O-])c2F)s1 ZINC001352083933 937035362 /nfs/dbraw/zinc/03/53/62/937035362.db2.gz HEPYGTCVDJBKIY-QMMMGPOBSA-N -1 3 266.341 3.147 20 0 CGADHM COc1cccc(CSc2cc(Cl)nc(=O)[n-]2)c1 ZINC001365212028 937235484 /nfs/dbraw/zinc/23/54/84/937235484.db2.gz DSBPWBAYVDDVAS-UHFFFAOYSA-N -1 3 282.752 3.137 20 0 CGADHM CCc1cccc(C(=O)Nc2n[nH]c3ccccc32)c1[O-] ZINC001440307921 937329108 /nfs/dbraw/zinc/32/91/08/937329108.db2.gz NQJTXWAFMUISTP-UHFFFAOYSA-N -1 3 281.315 3.083 20 0 CGADHM COc1cccc([O-])c1C(=O)NCC1(CC(C)C)CCC1 ZINC001446141438 937361647 /nfs/dbraw/zinc/36/16/47/937361647.db2.gz PVGVEOHSKWEVPP-UHFFFAOYSA-N -1 3 291.391 3.347 20 0 CGADHM COc1cccc([O-])c1C(=O)N1CCC[C@@H](C(C)(C)C)C1 ZINC001448382544 937374464 /nfs/dbraw/zinc/37/44/64/937374464.db2.gz APTGIGJECZUCTE-GFCCVEGCSA-N -1 3 291.391 3.299 20 0 CGADHM Cc1cc(C(=O)Nc2c([O-])cccc2Cl)cc(C)n1 ZINC001450261700 937384767 /nfs/dbraw/zinc/38/47/67/937384767.db2.gz CHJASDCOBADNMH-UHFFFAOYSA-N -1 3 276.723 3.310 20 0 CGADHM CC(=O)c1cccc(NC(=O)Cc2cc(C)cc(C)c2)c1[O-] ZINC001450605480 937386197 /nfs/dbraw/zinc/38/61/97/937386197.db2.gz YDIURGHLJXVBMO-UHFFFAOYSA-N -1 3 297.354 3.393 20 0 CGADHM COc1cccc([O-])c1C(=O)N[C@H]1CCC[C@@H]1C(C)(C)C ZINC001451304726 937389456 /nfs/dbraw/zinc/38/94/56/937389456.db2.gz TXNWFMBVPXONST-RYUDHWBXSA-N -1 3 291.391 3.345 20 0 CGADHM CCC1(CC)CCCN(C(=O)c2c([O-])cccc2OC)C1 ZINC001453430908 937402924 /nfs/dbraw/zinc/40/29/24/937402924.db2.gz HNWITUOUKSVTDC-UHFFFAOYSA-N -1 3 291.391 3.443 20 0 CGADHM C[C@H](NC(=O)c1cc([O-])c2ccccc2c1)C1(C)CC1 ZINC001456711658 937434677 /nfs/dbraw/zinc/43/46/77/937434677.db2.gz LNZUPLKQNHZUIN-NSHDSACASA-N -1 3 269.344 3.464 20 0 CGADHM CC(C)ONC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC001117770175 931940757 /nfs/dbraw/zinc/94/07/57/931940757.db2.gz NQIQCJLCTVRPSK-UHFFFAOYSA-N -1 3 299.370 3.247 20 0 CGADHM CC[C@@H](C)Oc1cc(O)cc([O-])c1Br ZINC001229099067 932093433 /nfs/dbraw/zinc/09/34/33/932093433.db2.gz JCUXKLYOZKIJRI-ZCFIWIBFSA-N -1 3 261.115 3.038 20 0 CGADHM CCCOC[C@H](C)Oc1cccc([O-])c1Br ZINC001229140199 932104994 /nfs/dbraw/zinc/10/49/94/932104994.db2.gz WORUXRDVNPSVSH-VIFPVBQESA-N -1 3 289.169 3.349 20 0 CGADHM COc1cccc2nc(=O)[n-]c(O[C@H]3CCCC[C@H]3F)c21 ZINC001229240626 932121294 /nfs/dbraw/zinc/12/12/94/932121294.db2.gz XMQJEJJQXNYHOX-KOLCDFICSA-N -1 3 292.310 3.004 20 0 CGADHM [O-]c1cc(O[C@@H]2CN3CCC2CC3)c(Cl)cc1Cl ZINC001229411530 932147411 /nfs/dbraw/zinc/14/74/11/932147411.db2.gz RNDPDQBCUXLFAB-CYBMUJFWSA-N -1 3 288.174 3.172 20 0 CGADHM CC(C)[C@@H](C)Oc1nc(=S)[n-]c2sccc21 ZINC001229570990 932173295 /nfs/dbraw/zinc/17/32/95/932173295.db2.gz XOFBMCLTDKHGLR-SSDOTTSWSA-N -1 3 254.380 3.403 20 0 CGADHM CC[C@H](C)CC[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC001229952271 932507195 /nfs/dbraw/zinc/50/71/95/932507195.db2.gz ACWALCIUJGVVKW-RYUDHWBXSA-N -1 3 274.368 3.460 20 0 CGADHM CC[C@H](C)CC[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC001229952271 932507201 /nfs/dbraw/zinc/50/72/01/932507201.db2.gz ACWALCIUJGVVKW-RYUDHWBXSA-N -1 3 274.368 3.460 20 0 CGADHM Cc1ccc([C@@H](C)Oc2[n-]c(=O)nc3cccc(F)c32)cn1 ZINC001231075243 932672768 /nfs/dbraw/zinc/67/27/68/932672768.db2.gz YLJVCUNGPMRGIN-SNVBAGLBSA-N -1 3 299.305 3.318 20 0 CGADHM CCOC(=O)c1c(Cl)[n-]c(=O)cc1O[C@H]1CCC[C@@H]1C ZINC001231091700 932676564 /nfs/dbraw/zinc/67/65/64/932676564.db2.gz ZETLGYFVJVGXKL-IUCAKERBSA-N -1 3 299.754 3.185 20 0 CGADHM CN(Cc1ccc(-c2cc(F)c([O-])c(F)c2)nc1)C1CC1 ZINC001244094164 932707087 /nfs/dbraw/zinc/70/70/87/932707087.db2.gz DJLRSMRJMFFWEU-UHFFFAOYSA-N -1 3 290.313 3.327 20 0 CGADHM CC[C@@H]1[C@H](C)CCN1Cc1ccc([O-])c(F)c1F ZINC001462142534 937620888 /nfs/dbraw/zinc/62/08/88/937620888.db2.gz XARLEDMBFFBGTO-MWLCHTKSSA-N -1 3 255.308 3.291 20 0 CGADHM CC[C@@H]1[C@@H](C)CCN1Cc1ccc([O-])c(F)c1F ZINC001462142532 937620959 /nfs/dbraw/zinc/62/09/59/937620959.db2.gz XARLEDMBFFBGTO-GXSJLCMTSA-N -1 3 255.308 3.291 20 0 CGADHM CCc1cccc(C(=O)N[C@H](c2ccccn2)C2CC2)c1[O-] ZINC001303928625 932835919 /nfs/dbraw/zinc/83/59/19/932835919.db2.gz LGMBISLKSMQRPB-INIZCTEOSA-N -1 3 296.370 3.231 20 0 CGADHM Cc1ccc2[nH]cc(CCNC(=O)c3ccccc3[O-])c2c1 ZINC001305274001 932864084 /nfs/dbraw/zinc/86/40/84/932864084.db2.gz GAJMCKRSMMLIEL-UHFFFAOYSA-N -1 3 294.354 3.154 20 0 CGADHM Cc1nc2c(c(=O)[n-]1)CN(Cc1ccccc1C(C)C)C2 ZINC001307978723 933028309 /nfs/dbraw/zinc/02/83/09/933028309.db2.gz SLCVSYXQEANQQP-UHFFFAOYSA-N -1 3 283.375 3.130 20 0 CGADHM [O-]c1ccc(CN2CCc3cc(F)cc(F)c3C2)cc1F ZINC001308986844 933222883 /nfs/dbraw/zinc/22/28/83/933222883.db2.gz KBVCQTVWGKLDNU-UHFFFAOYSA-N -1 3 293.288 3.368 20 0 CGADHM CC(C)c1cc([N-]C(=O)c2nccc(Cl)c2F)no1 ZINC001465491441 937701364 /nfs/dbraw/zinc/70/13/64/937701364.db2.gz WAENXANPZSXNPG-UHFFFAOYSA-N -1 3 283.690 3.238 20 0 CGADHM CCc1ccc(C(=O)NC[C@H]2CCC[C@H]2C)c([O-])c1 ZINC001467441951 937718194 /nfs/dbraw/zinc/71/81/94/937718194.db2.gz SVBOKXMKILBEIS-DGCLKSJQSA-N -1 3 261.365 3.121 20 0 CGADHM CSc1ccc([O-])c(C(=O)N[C@H](C2CC2)C2CCC2)c1 ZINC001468734415 937730959 /nfs/dbraw/zinc/73/09/59/937730959.db2.gz ULKMRZOXCIZSOJ-HNNXBMFYSA-N -1 3 291.416 3.423 20 0 CGADHM C[C@H](CCCC(=O)[O-])NCc1nc2c(s1)C[C@H](C)CC2 ZINC001320732888 934095711 /nfs/dbraw/zinc/09/57/11/934095711.db2.gz KDJJWNBHDIUWIC-GHMZBOCLSA-N -1 3 296.436 3.001 20 0 CGADHM CSc1ccc([O-])c(C(=O)N2C[C@H]3CCCC[C@H]32)c1 ZINC001469829824 937744613 /nfs/dbraw/zinc/74/46/13/937744613.db2.gz LWPVJJCKFQNYQS-ZWNOBZJWSA-N -1 3 277.389 3.129 20 0 CGADHM CCc1ccc(C(=O)NCCCC2CCC2)c([O-])c1 ZINC001470217955 937749695 /nfs/dbraw/zinc/74/96/95/937749695.db2.gz MHQWZKIXIVXZET-UHFFFAOYSA-N -1 3 261.365 3.265 20 0 CGADHM Cc1cc(N(C)C(=O)c2cc([O-])ccc2Cl)ccc1O ZINC001471035313 937760944 /nfs/dbraw/zinc/76/09/44/937760944.db2.gz CRLAWHOTIDVKDG-UHFFFAOYSA-N -1 3 291.734 3.336 20 0 CGADHM C[C@@H](Cn1ccc2ccccc21)C(=O)[N-]OC(C)(C)C ZINC001323725798 934422301 /nfs/dbraw/zinc/42/23/01/934422301.db2.gz PEVYKIOHBAFQGL-LBPRGKRZSA-N -1 3 274.364 3.124 20 0 CGADHM O=C([O-])CC1(CNCc2c(Cl)cccc2Cl)CC1 ZINC001328478081 935141676 /nfs/dbraw/zinc/14/16/76/935141676.db2.gz LMWWJPPFLMLVLM-UHFFFAOYSA-N -1 3 288.174 3.338 20 0 CGADHM O=C(CC(C1CC1)C1CC1)[N-]OCCCC(F)(F)F ZINC001329668814 935237851 /nfs/dbraw/zinc/23/78/51/935237851.db2.gz XTVRLUCRQZLEOB-UHFFFAOYSA-N -1 3 279.302 3.203 20 0 CGADHM C[C@@H]1CN(Cc2cc(=O)[n-]c(C3CC3)n2)Cc2ccccc21 ZINC001331111715 935350544 /nfs/dbraw/zinc/35/05/44/935350544.db2.gz RNCBURBKXPMFSJ-GFCCVEGCSA-N -1 3 295.386 3.179 20 0 CGADHM CC1(C)[C@H](CCC(=O)[O-])C[C@@H]1NCc1ccncc1Cl ZINC001334058311 936082887 /nfs/dbraw/zinc/08/28/87/936082887.db2.gz ZOSLUARKVUWHBF-YPMHNXCESA-N -1 3 296.798 3.104 20 0 CGADHM CC1(C)CC[C@H](NCc2cc(C(=O)[O-])n[nH]2)c2ccccc21 ZINC001334801195 936115021 /nfs/dbraw/zinc/11/50/21/936115021.db2.gz XIVJFAMYSNOKSN-AWEZNQCLSA-N -1 3 299.374 3.010 20 0 CGADHM CC[C@@]1(C)CCN(Cc2ccc([O-])c(F)c2F)C1 ZINC001474349576 937853461 /nfs/dbraw/zinc/85/34/61/937853461.db2.gz WRAJUUFZHVNQHI-AWEZNQCLSA-N -1 3 255.308 3.292 20 0 CGADHM O=C1Nc2ccc(NCc3ccc([O-])c(F)c3)cc2CO1 ZINC001474628357 937871710 /nfs/dbraw/zinc/87/17/10/937871710.db2.gz JNEKPOIOAGDOBK-UHFFFAOYSA-N -1 3 288.278 3.206 20 0 CGADHM CC[C@@H]1CCCC[C@@H]1C[N-]S(=O)(=O)c1ccc(C)o1 ZINC001475347763 937882724 /nfs/dbraw/zinc/88/27/24/937882724.db2.gz WEOPUIBZDGYCHX-CHWSQXEVSA-N -1 3 285.409 3.083 20 0 CGADHM CC[C@H](C)n1nccc1C(=O)Nc1c([O-])cccc1Cl ZINC001521632635 938033218 /nfs/dbraw/zinc/03/32/18/938033218.db2.gz GVQKGOWGOGEZCG-VIFPVBQESA-N -1 3 293.754 3.465 20 0 CGADHM CC(=O)c1ccc(C(=O)Nc2cc(F)cc(F)c2)cc1[O-] ZINC001540503135 938131628 /nfs/dbraw/zinc/13/16/28/938131628.db2.gz XQKPXMYSJOFAKR-UHFFFAOYSA-N -1 3 291.253 3.125 20 0 CGADHM C[C@H]1Cc2ccccc2N1C(=O)Cc1ccc([O-])c(F)c1 ZINC001540565324 938131956 /nfs/dbraw/zinc/13/19/56/938131956.db2.gz XUYRRMAATPQPIL-NSHDSACASA-N -1 3 285.318 3.052 20 0 CGADHM Cc1ccc(C(=O)N2C[C@H](C3CC3)C[C@H]2C2CC2)c([O-])c1 ZINC001551064664 938175914 /nfs/dbraw/zinc/17/59/14/938175914.db2.gz XUSLXOCEYNAIDE-ZBFHGGJFSA-N -1 3 285.387 3.351 20 0 CGADHM O=C([N-]OC1CCC1)[C@@H]1C2CCC(CC2)[C@H]1C(F)(F)F ZINC001552144216 938190176 /nfs/dbraw/zinc/19/01/76/938190176.db2.gz IKNCTZUMHYSAOT-ALWXLRNYSA-N -1 3 291.313 3.201 20 0 CGADHM C[C@H](Cc1ccco1)C(=O)Nc1ccc(Cl)cc1[O-] ZINC001556081772 938201652 /nfs/dbraw/zinc/20/16/52/938201652.db2.gz LALXNIJVCLIYEG-SECBINFHSA-N -1 3 279.723 3.456 20 0 CGADHM COc1ccc(C(=O)NCC2(C)CCC(C)CC2)c([O-])c1 ZINC001556479344 938204145 /nfs/dbraw/zinc/20/41/45/938204145.db2.gz CHJNEBSIEWTBFK-UHFFFAOYSA-N -1 3 291.391 3.347 20 0 CGADHM Nc1c(F)cccc1C(=O)Nc1c([O-])cccc1Cl ZINC001556785507 938205720 /nfs/dbraw/zinc/20/57/20/938205720.db2.gz WLWSNYZFXLXNIE-UHFFFAOYSA-N -1 3 280.686 3.019 20 0 CGADHM CC(C)c1ccc(C(=O)NCCOCC2CCC2)c([O-])c1 ZINC001557167998 938208306 /nfs/dbraw/zinc/20/83/06/938208306.db2.gz GYPIBTUZOQSPEG-UHFFFAOYSA-N -1 3 291.391 3.062 20 0 CGADHM Cc1cc(CN[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc(C)n1 ZINC001594304042 957943903 /nfs/dbraw/zinc/94/39/03/957943903.db2.gz DHEQICARBGOYBN-IAGOWNOFSA-N -1 3 296.370 3.101 20 0 CGADHM Cc1ccc2cc(CNCc3cccc(C(=O)[O-])c3)[nH]c2c1 ZINC001594381839 958636461 /nfs/dbraw/zinc/63/64/61/958636461.db2.gz HHIIJLQEICWDDR-UHFFFAOYSA-N -1 3 294.354 3.464 20 0 CGADHM C[C@@H](NCc1ccccc1C(=O)[O-])c1cc2cnccc2o1 ZINC001603250398 972419627 /nfs/dbraw/zinc/41/96/27/972419627.db2.gz ADBCCGAPKSUDAL-LLVKDONJSA-N -1 3 296.326 3.377 20 0 CGADHM Cc1ccc(NC(=O)Cc2ccc([O-])c(F)c2)c(C)c1O ZINC001566332273 960922918 /nfs/dbraw/zinc/92/29/18/960922918.db2.gz BCVDTTVVCYBSKU-UHFFFAOYSA-N -1 3 289.306 3.035 20 0 CGADHM Cc1cc(C)c(CC(=O)Nc2cccc([O-])c2F)s1 ZINC001566435761 960943105 /nfs/dbraw/zinc/94/31/05/960943105.db2.gz WZDCJRKOSYFDKA-UHFFFAOYSA-N -1 3 279.336 3.391 20 0 CGADHM Cc1cc(F)cc(C)c1C(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC001569458745 961765863 /nfs/dbraw/zinc/76/58/63/961765863.db2.gz BAGIYZWCRLVRKF-UHFFFAOYSA-N -1 3 299.305 3.277 20 0 CGADHM Cc1cc(NC(=O)c2ccc(C)c(C)c2[O-])cn2ccnc12 ZINC001569735132 961842604 /nfs/dbraw/zinc/84/26/04/961842604.db2.gz GCQXKUHOJHLFNY-UHFFFAOYSA-N -1 3 295.342 3.217 20 0 CGADHM CC(C)(C)CCCN1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001573845091 962285062 /nfs/dbraw/zinc/28/50/62/962285062.db2.gz QFZLDJUEMDOGQG-UHFFFAOYSA-N -1 3 299.422 3.446 20 0 CGADHM CCC[C@@H](CC)Sc1cc(-c2nnn[n-]2)cc(C)n1 ZINC001577319245 962524623 /nfs/dbraw/zinc/52/46/23/962524623.db2.gz NAXZQCUFUZCWNJ-LLVKDONJSA-N -1 3 277.397 3.241 20 0 CGADHM CCC[C@@H](CC)Sc1cc(-c2nn[n-]n2)cc(C)n1 ZINC001577319245 962524635 /nfs/dbraw/zinc/52/46/35/962524635.db2.gz NAXZQCUFUZCWNJ-LLVKDONJSA-N -1 3 277.397 3.241 20 0 CGADHM CCc1cc(Nc2cc(C)c(-c3nnn[n-]3)cn2)ccc1F ZINC001578516594 962597538 /nfs/dbraw/zinc/59/75/38/962597538.db2.gz ZGSMSQFWYMMUHP-UHFFFAOYSA-N -1 3 298.325 3.015 20 0 CGADHM CCc1cc(Nc2cc(C)c(-c3nn[n-]n3)cn2)ccc1F ZINC001578516594 962597542 /nfs/dbraw/zinc/59/75/42/962597542.db2.gz ZGSMSQFWYMMUHP-UHFFFAOYSA-N -1 3 298.325 3.015 20 0 CGADHM Nc1ccc(C(=O)NCc2csc3ccccc23)c([O-])c1 ZINC001580439140 962721610 /nfs/dbraw/zinc/72/16/10/962721610.db2.gz APEWMVKFBPAHKD-UHFFFAOYSA-N -1 3 298.367 3.119 20 0 CGADHM Cc1cc(SCC2(C)CCC2)ccc1-c1nnn[n-]1 ZINC001581044764 962747978 /nfs/dbraw/zinc/74/79/78/962747978.db2.gz ORKDPWYTRCDYSX-UHFFFAOYSA-N -1 3 274.393 3.457 20 0 CGADHM Cc1cc(SCC2(C)CCC2)ccc1-c1nn[n-]n1 ZINC001581044764 962747983 /nfs/dbraw/zinc/74/79/83/962747983.db2.gz ORKDPWYTRCDYSX-UHFFFAOYSA-N -1 3 274.393 3.457 20 0 CGADHM Cc1ccc(COc2ccccc2-c2nnn[n-]2)c(C)c1 ZINC001581201628 962749954 /nfs/dbraw/zinc/74/99/54/962749954.db2.gz LXZZKSIRMFXPNH-UHFFFAOYSA-N -1 3 280.331 3.063 20 0 CGADHM Cc1ccc(COc2ccccc2-c2nn[n-]n2)c(C)c1 ZINC001581201628 962749968 /nfs/dbraw/zinc/74/99/68/962749968.db2.gz LXZZKSIRMFXPNH-UHFFFAOYSA-N -1 3 280.331 3.063 20 0 CGADHM Cc1cccc([O-])c1C(=O)NCc1ccc2cccnc2c1 ZINC001587196204 963177891 /nfs/dbraw/zinc/17/78/91/963177891.db2.gz NXVYXAMCPNIAPS-UHFFFAOYSA-N -1 3 292.338 3.179 20 0 CGADHM C/C(=C\CN[C@H](C)c1cc(Cl)ccc1F)C(=O)[O-] ZINC001588982722 963338727 /nfs/dbraw/zinc/33/87/27/963338727.db2.gz YFHCXVMIVOWCJP-WHXYTISESA-N -1 3 271.719 3.161 20 0 CGADHM C[C@@](NCc1cc(Cl)cs1)(C(=O)[O-])c1ccccc1 ZINC001589129639 963351627 /nfs/dbraw/zinc/35/16/27/963351627.db2.gz WELDLHTXOTVXSO-AWEZNQCLSA-N -1 3 295.791 3.491 20 0 CGADHM CCSCC[C@H](C)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC000314798125 963811741 /nfs/dbraw/zinc/81/17/41/963811741.db2.gz MPZRAUGSHWMDNS-IUCAKERBSA-N -1 3 288.438 3.024 20 0 CGADHM CC[C@]1(C(=O)[O-])CCCN(Cc2cc(C)nc(Cl)c2)C1 ZINC001589606370 964007751 /nfs/dbraw/zinc/00/77/51/964007751.db2.gz NDRXRDUWKUGXTP-HNNXBMFYSA-N -1 3 296.798 3.120 20 0 CGADHM C[C@@H](NCc1ccccc1CC(=O)[O-])c1ccc(C#N)cc1 ZINC000317118389 970329477 /nfs/dbraw/zinc/32/94/77/970329477.db2.gz HHRBEOJITHPOFK-CYBMUJFWSA-N -1 3 294.354 3.036 20 0 CGADHM Cc1sc(C(=O)[O-])cc1CN1CCC[C@H](OC(C)C)C1 ZINC000404611030 973738301 /nfs/dbraw/zinc/73/83/01/973738301.db2.gz SJWULQUVJUDSAO-ZDUSSCGKSA-N -1 3 297.420 3.144 20 0 CGADHM CC[C@@H](NCc1ccccc1C(=O)[O-])c1ccncc1 ZINC001603585373 973748917 /nfs/dbraw/zinc/74/89/17/973748917.db2.gz AXHLVCTXXCLKIP-OAHLLOKOSA-N -1 3 270.332 3.021 20 0 CGADHM O=C([O-])CCN(Cc1ccsc1)Cc1ccccc1 ZINC000692437725 976476639 /nfs/dbraw/zinc/47/66/39/976476639.db2.gz VTZOTKQSGHJTBP-UHFFFAOYSA-N -1 3 275.373 3.225 20 0 CGADHM CC[C@H](C)[C@@H](CN[C@@H](C(=O)[O-])c1ccccc1Cl)OC ZINC001594883512 982253457 /nfs/dbraw/zinc/25/34/57/982253457.db2.gz RLELIZXPSGQMJU-ZLKJLUDKSA-N -1 3 299.798 3.116 20 0 CGADHM Cc1[nH]c(CN(C)[C@H]2CCc3ccccc32)cc1C(=O)[O-] ZINC001599963121 985835049 /nfs/dbraw/zinc/83/50/49/985835049.db2.gz XNARSVDFPUZVPA-INIZCTEOSA-N -1 3 284.359 3.141 20 0 CGADHM CN(CC1=CCCC1)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC001598447170 991884151 /nfs/dbraw/zinc/88/41/51/991884151.db2.gz OMXIMJAAKQOPOV-CQSZACIVSA-N -1 3 299.292 3.272 20 0 CGADHM CN(Cc1cc2ccccc2[nH]1)Cc1cccc(C(=O)[O-])c1 ZINC001598525259 992711399 /nfs/dbraw/zinc/71/13/99/992711399.db2.gz CHZQWNFRXPDGRX-UHFFFAOYSA-N -1 3 294.354 3.498 20 0 CGADHM C[C@@H](NCCc1cccc(F)c1F)c1cc(C(=O)[O-])co1 ZINC001593275632 994628826 /nfs/dbraw/zinc/62/88/26/994628826.db2.gz UDUYYBRFBZZLRH-SECBINFHSA-N -1 3 295.285 3.149 20 0 CGADHM C[C@@H](c1ncc(C(=O)[O-])s1)N1CCC[C@H]1C(C)(C)C ZINC001593732448 996312492 /nfs/dbraw/zinc/31/24/92/996312492.db2.gz USLMYTQWFGGOQN-ONGXEEELSA-N -1 3 282.409 3.413 20 0 CGADHM CC1=CCC[C@@H](C)[C@H]1CNC(C)(C)c1cc(C(=O)[O-])on1 ZINC001594113200 998221004 /nfs/dbraw/zinc/22/10/04/998221004.db2.gz JKNNENQZUJLAIC-NEPJUHHUSA-N -1 3 292.379 3.190 20 0 CGADHM CSCCC(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000337400040 214055000 /nfs/dbraw/zinc/05/50/00/214055000.db2.gz GWAPUUMMLDVYPQ-UHFFFAOYSA-N -1 3 267.394 3.381 20 0 CGADHM O=C(c1cccc([O-])c1)N1CC2(CCC2)[C@H]1c1ccncc1 ZINC000621163751 349465174 /nfs/dbraw/zinc/46/51/74/349465174.db2.gz VVZRRSQSLPWCSE-MRXNPFEDSA-N -1 3 294.354 3.155 20 0 CGADHM C[C@H](CCC(C)(C)C)NC(=O)c1cc(F)cc2nn[n-]c21 ZINC000337517108 214134897 /nfs/dbraw/zinc/13/48/97/214134897.db2.gz VPSIWNNALNRIBS-SECBINFHSA-N -1 3 292.358 3.042 20 0 CGADHM C[C@H](CCC(C)(C)C)NC(=O)c1cc(F)cc2[n-]nnc21 ZINC000337517108 214134898 /nfs/dbraw/zinc/13/48/98/214134898.db2.gz VPSIWNNALNRIBS-SECBINFHSA-N -1 3 292.358 3.042 20 0 CGADHM C[C@H](CCC(C)(C)C)NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000337517108 214134901 /nfs/dbraw/zinc/13/49/01/214134901.db2.gz VPSIWNNALNRIBS-SECBINFHSA-N -1 3 292.358 3.042 20 0 CGADHM CC(C)=CCNC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621970417 349615517 /nfs/dbraw/zinc/61/55/17/349615517.db2.gz CGOFLEJPRIZMEF-UHFFFAOYSA-N -1 3 273.254 3.107 20 0 CGADHM CC[C@H](C[C@@H](C)CO)NC(=O)c1ccc(C(C)C)cc1[O-] ZINC000436909357 529419642 /nfs/dbraw/zinc/41/96/42/529419642.db2.gz YPGDTEFZDBYKCE-TZMCWYRMSA-N -1 3 293.407 3.043 20 0 CGADHM CC[C@@H]1[C@@H](C)CCN1C(=O)c1ccc(C)c(C)c1[O-] ZINC000436957931 529477379 /nfs/dbraw/zinc/47/73/79/529477379.db2.gz YGNPGHMSXTVXJK-SMDDNHRTSA-N -1 3 261.365 3.270 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2cccc3c2CCO3)c1 ZINC000622572785 349686661 /nfs/dbraw/zinc/68/66/61/349686661.db2.gz WARNLPARGZCCHT-UHFFFAOYSA-N -1 3 283.327 3.142 20 0 CGADHM Cc1cnc(CC(=O)Nc2cc(Cl)cc(C)c2[O-])s1 ZINC000622468016 349681828 /nfs/dbraw/zinc/68/18/28/349681828.db2.gz QTGHFPATZVCNTK-UHFFFAOYSA-N -1 3 296.779 3.300 20 0 CGADHM CCCc1csc(NC(=O)c2cccc(C)c2[O-])n1 ZINC000622476213 349682339 /nfs/dbraw/zinc/68/23/39/349682339.db2.gz DAMNFVJABGRKSR-UHFFFAOYSA-N -1 3 276.361 3.362 20 0 CGADHM C[C@H]1CCCC[C@H]1CC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000591175157 346907197 /nfs/dbraw/zinc/90/71/97/346907197.db2.gz HPLQEXFJLVKJOB-AAEUAGOBSA-N -1 3 299.378 3.022 20 0 CGADHM C[C@H]1CCCC[C@H]1CC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000591175157 346907200 /nfs/dbraw/zinc/90/72/00/346907200.db2.gz HPLQEXFJLVKJOB-AAEUAGOBSA-N -1 3 299.378 3.022 20 0 CGADHM CCc1ccc(-c2nc(-c3ccnc(C)c3)no2)c([O-])c1 ZINC000436882739 529575983 /nfs/dbraw/zinc/57/59/83/529575983.db2.gz VOEOUPWVRZWHQU-UHFFFAOYSA-N -1 3 281.315 3.375 20 0 CGADHM CCc1ccc(-c2nc(-c3ccc([O-])cc3)no2)c(C)n1 ZINC000436978214 529576066 /nfs/dbraw/zinc/57/60/66/529576066.db2.gz GRUGKNXQVSEMOK-UHFFFAOYSA-N -1 3 281.315 3.375 20 0 CGADHM CC[C@H](NC(=O)c1ccc(C(C)C)cc1[O-])[C@@H]1CCCO1 ZINC000436668242 529564778 /nfs/dbraw/zinc/56/47/78/529564778.db2.gz BDGACPCAILPOMO-HOCLYGCPSA-N -1 3 291.391 3.203 20 0 CGADHM CCc1ccc(C(=O)N(CC(C)C)C(C)C)c([O-])c1 ZINC000436824909 529593701 /nfs/dbraw/zinc/59/37/01/529593701.db2.gz IXOXGFHXSZWECM-UHFFFAOYSA-N -1 3 263.381 3.461 20 0 CGADHM CC(C)CC(=O)N=c1cc(-c2cccc(Cl)c2)[n-][nH]1 ZINC000622893478 349725684 /nfs/dbraw/zinc/72/56/84/349725684.db2.gz CNNIPCIEXJJBKR-UHFFFAOYSA-N -1 3 277.755 3.137 20 0 CGADHM CCc1ccc(C(=O)Nc2cc(C)ccc2O)c([O-])c1 ZINC000436832512 529609338 /nfs/dbraw/zinc/60/93/38/529609338.db2.gz RVDKAQXKOYEMQW-UHFFFAOYSA-N -1 3 271.316 3.221 20 0 CGADHM O=C(CCCc1ccccn1)Nc1cc(Cl)ccc1[O-] ZINC000591441807 346923909 /nfs/dbraw/zinc/92/39/09/346923909.db2.gz SRURORIHYKLTIG-UHFFFAOYSA-N -1 3 290.750 3.402 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2ccc(C)nc2C)c1 ZINC000179786067 529692221 /nfs/dbraw/zinc/69/22/21/529692221.db2.gz JEYZMOYVBWCQQK-UHFFFAOYSA-N -1 3 270.332 3.219 20 0 CGADHM Cc1ccc(NC(=O)[C@H]2[C@@H]3c4ccccc4C[C@H]23)c([O-])c1 ZINC000623416107 349802563 /nfs/dbraw/zinc/80/25/63/349802563.db2.gz JRXLYJYHQGATMG-IAOVAPTHSA-N -1 3 279.339 3.225 20 0 CGADHM Cc1noc(-c2ccccc2)c1NC([O-])=NOCC(C)C ZINC000126650032 187253457 /nfs/dbraw/zinc/25/34/57/187253457.db2.gz DTBBZEXWAUKDOM-UHFFFAOYSA-N -1 3 289.335 3.359 20 0 CGADHM Cc1noc(-c2ccccc2)c1NC(=O)[N-]OCC(C)C ZINC000126650032 187253459 /nfs/dbraw/zinc/25/34/59/187253459.db2.gz DTBBZEXWAUKDOM-UHFFFAOYSA-N -1 3 289.335 3.359 20 0 CGADHM C[C@@H]1CCCC[C@H]1C(=O)Nc1cccc([O-])c1F ZINC000335538128 212236672 /nfs/dbraw/zinc/23/66/72/212236672.db2.gz GJEYWESDQVEVRF-NXEZZACHSA-N -1 3 251.301 3.296 20 0 CGADHM CC1(C(=O)Nc2cc(Br)ccc2[O-])CCC1 ZINC000126715424 187258345 /nfs/dbraw/zinc/25/83/45/187258345.db2.gz QPNVCBGWMPKELC-UHFFFAOYSA-N -1 3 284.153 3.283 20 0 CGADHM CSc1ccc(C(=O)N2CCCc3cccc([O-])c32)o1 ZINC000155679914 136395684 /nfs/dbraw/zinc/39/56/84/136395684.db2.gz PINUGNDVTAAYOX-UHFFFAOYSA-N -1 3 289.356 3.300 20 0 CGADHM CCc1ccc([O-])c(C(=O)N[C@@H](C)Cc2cccs2)c1 ZINC000623475020 349816290 /nfs/dbraw/zinc/81/62/90/349816290.db2.gz FGRIXGFLRNJVQX-NSHDSACASA-N -1 3 289.400 3.377 20 0 CGADHM CCc1ccc([O-])c(C(=O)NC[C@H]2Cc3ccccc32)c1 ZINC000623478821 349816616 /nfs/dbraw/zinc/81/66/16/349816616.db2.gz APNQXBBJCSJXNT-CQSZACIVSA-N -1 3 281.355 3.024 20 0 CGADHM CCCN(Cc1c(F)ccc([O-])c1F)C[C@H]1CCCCO1 ZINC000351450034 219096764 /nfs/dbraw/zinc/09/67/64/219096764.db2.gz IIJKUPVIURSEAX-GFCCVEGCSA-N -1 3 299.361 3.452 20 0 CGADHM Cc1ccc(NC(=O)CCc2nc3ccccc3o2)c([O-])c1 ZINC000008304872 344873227 /nfs/dbraw/zinc/87/32/27/344873227.db2.gz MJFSAOFFHXDPKB-UHFFFAOYSA-N -1 3 296.326 3.413 20 0 CGADHM C[C@H](CC[N-]S(=O)(=O)c1cccs1)c1ccccc1 ZINC000041341882 344969008 /nfs/dbraw/zinc/96/90/08/344969008.db2.gz FDKUZMJEAFMOLZ-GFCCVEGCSA-N -1 3 295.429 3.220 20 0 CGADHM CN(Cc1c2ccccc2sc1C(=O)[O-])C1CC1 ZINC000037081336 344946844 /nfs/dbraw/zinc/94/68/44/344946844.db2.gz HEZFBAJBIHXJKA-UHFFFAOYSA-N -1 3 261.346 3.194 20 0 CGADHM Cc1ccc(-c2cc(C(=O)Nc3ncccc3[O-])on2)cc1 ZINC000046661053 345042397 /nfs/dbraw/zinc/04/23/97/345042397.db2.gz WLLKPHKASZRPRY-UHFFFAOYSA-N -1 3 295.298 3.003 20 0 CGADHM Cc1ccc(-c2cc(C(=O)[N-]c3ncccc3O)on2)cc1 ZINC000046661053 345042398 /nfs/dbraw/zinc/04/23/98/345042398.db2.gz WLLKPHKASZRPRY-UHFFFAOYSA-N -1 3 295.298 3.003 20 0 CGADHM CC1CCC(CNC(=O)c2cc(=O)c3ccccc3[n-]2)CC1 ZINC000056268345 345161832 /nfs/dbraw/zinc/16/18/32/345161832.db2.gz KETFTRJWGMEKLX-UHFFFAOYSA-N -1 3 298.386 3.084 20 0 CGADHM CCN(C)[C@H](C(=O)Nc1ccc(C)cc1[O-])c1ccccc1 ZINC000057894128 345190913 /nfs/dbraw/zinc/19/09/13/345190913.db2.gz KBPAZEUXRUHDDN-KRWDZBQOSA-N -1 3 298.386 3.332 20 0 CGADHM C[C@]1(C(=O)[O-])CCCN(Cc2ccccc2Cl)C1 ZINC000062876884 345241118 /nfs/dbraw/zinc/24/11/18/345241118.db2.gz JQZOKJCIPUXLSY-AWEZNQCLSA-N -1 3 267.756 3.027 20 0 CGADHM Cc1ccc([O-])c(C(=O)NCc2cccc3cccnc32)c1 ZINC000068745483 345360519 /nfs/dbraw/zinc/36/05/19/345360519.db2.gz IXAPEEUNMQBOQV-UHFFFAOYSA-N -1 3 292.338 3.179 20 0 CGADHM Cc1cc([N-]C(=O)[C@@H](C)Nc2cccc3c2CCCC3)on1 ZINC000078455936 345609413 /nfs/dbraw/zinc/60/94/13/345609413.db2.gz WYMVXSJMCCNHQQ-GFCCVEGCSA-N -1 3 299.374 3.301 20 0 CGADHM CC(C)(C)CC(=O)Nc1nnc(-c2c(F)cccc2F)[n-]1 ZINC000081731240 345718075 /nfs/dbraw/zinc/71/80/75/345718075.db2.gz DKCRAXGJYCJYGW-UHFFFAOYSA-N -1 3 294.305 3.125 20 0 CGADHM CC(C)(C)CC(=O)Nc1nc(-c2c(F)cccc2F)n[n-]1 ZINC000081731240 345718076 /nfs/dbraw/zinc/71/80/76/345718076.db2.gz DKCRAXGJYCJYGW-UHFFFAOYSA-N -1 3 294.305 3.125 20 0 CGADHM CC(C)(C)CC(=O)Nc1n[n-]c(-c2c(F)cccc2F)n1 ZINC000081731240 345718078 /nfs/dbraw/zinc/71/80/78/345718078.db2.gz DKCRAXGJYCJYGW-UHFFFAOYSA-N -1 3 294.305 3.125 20 0 CGADHM CC(C)Oc1ccccc1[N-]S(=O)(=O)CCC1CC1 ZINC000092262814 345833781 /nfs/dbraw/zinc/83/37/81/345833781.db2.gz FMJLEYMNMCLGKT-UHFFFAOYSA-N -1 3 283.393 3.016 20 0 CGADHM Cc1cccc(C(=O)NCCc2ccc(F)cc2C)c1[O-] ZINC000094961976 345899233 /nfs/dbraw/zinc/89/92/33/345899233.db2.gz UHOPKOPGULSNBR-UHFFFAOYSA-N -1 3 287.334 3.121 20 0 CGADHM CCc1ccc(C(=O)Nc2cccc(C(C)=O)c2[O-])cc1 ZINC000147633079 346126237 /nfs/dbraw/zinc/12/62/37/346126237.db2.gz WDOGXUGZACOZSU-UHFFFAOYSA-N -1 3 283.327 3.410 20 0 CGADHM CC1(C)CCC[C@H](C(=O)Nc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000339201898 215011027 /nfs/dbraw/zinc/01/10/27/215011027.db2.gz SGXAYIHWTJSFKZ-LBPRGKRZSA-N -1 3 299.378 3.022 20 0 CGADHM CC1(C)CCC[C@H](C(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000339201898 215011029 /nfs/dbraw/zinc/01/10/29/215011029.db2.gz SGXAYIHWTJSFKZ-LBPRGKRZSA-N -1 3 299.378 3.022 20 0 CGADHM Cc1ccc(NC(=O)Cc2ccc([O-])cc2Cl)cc1O ZINC000182618556 346256771 /nfs/dbraw/zinc/25/67/71/346256771.db2.gz NWZIZXSPDMFNNJ-UHFFFAOYSA-N -1 3 291.734 3.241 20 0 CGADHM Cc1conc1[N-]C(=O)c1ccc(F)c(Cl)c1F ZINC000184561690 346257838 /nfs/dbraw/zinc/25/78/38/346257838.db2.gz FJFRMNQFOVGANY-UHFFFAOYSA-N 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/nfs/dbraw/zinc/19/62/09/219196209.db2.gz CHHYTSQYAOKOFD-GFCCVEGCSA-N -1 3 296.330 3.197 20 0 CGADHM CC[C@@H](C(=O)Nc1n[n-]c(-c2ccco2)n1)c1ccccc1 ZINC000351752861 219196211 /nfs/dbraw/zinc/19/62/11/219196211.db2.gz CHHYTSQYAOKOFD-GFCCVEGCSA-N -1 3 296.330 3.197 20 0 CGADHM O=C([O-])C[C@@H]1CCCN(C/C=C\c2ccc(F)c(F)c2)C1 ZINC000584706921 346709165 /nfs/dbraw/zinc/70/91/65/346709165.db2.gz CGZDEEWMWCHPTQ-MTMQSLQUSA-N -1 3 295.329 3.165 20 0 CGADHM COC(=O)c1cc(Cl)cc(NC(=O)CCC(C)C)c1[O-] ZINC000588100321 346749305 /nfs/dbraw/zinc/74/93/05/346749305.db2.gz YKNIQETWUHSLRE-UHFFFAOYSA-N -1 3 299.754 3.207 20 0 CGADHM COc1ccc([O-])c(C(=O)N[C@@H]2c3ccccc3C[C@H]2C)c1 ZINC000599901835 347774314 /nfs/dbraw/zinc/77/43/14/347774314.db2.gz FFJSHHQPWFUNSZ-DIFFPNOSSA-N -1 3 297.354 3.064 20 0 CGADHM C[S@](=O)c1ccc(NCc2c(F)ccc([O-])c2F)cc1 ZINC000351875053 219233252 /nfs/dbraw/zinc/23/32/52/219233252.db2.gz KQMYMGJKCRAOSE-FQEVSTJZSA-N -1 3 297.326 3.020 20 0 CGADHM Cc1noc(C2CC2)c1[N-]C(=O)c1ccc(F)s1 ZINC000613430011 348602812 /nfs/dbraw/zinc/60/28/12/348602812.db2.gz KEAXYJMDCZUWMC-UHFFFAOYSA-N -1 3 266.297 3.313 20 0 CGADHM Cc1cc(C(=O)N(C)[C@@H]2CCC(C)(C)C2)ccc1[O-] ZINC000358082709 233055074 /nfs/dbraw/zinc/05/50/74/233055074.db2.gz CJNGSUJFDJWHJA-CYBMUJFWSA-N -1 3 261.365 3.351 20 0 CGADHM CCCc1ccc(-c2cc(=NC(=O)[C@H]3C[C@@H]3C)[nH][n-]2)cc1 ZINC000615853532 348769257 /nfs/dbraw/zinc/76/92/57/348769257.db2.gz RACJEOUQHLNMLP-FZMZJTMJSA-N -1 3 283.375 3.046 20 0 CGADHM Cc1ccc(C(=O)NC[C@H]2Cc3ccccc32)c([O-])c1C ZINC000615887530 348772296 /nfs/dbraw/zinc/77/22/96/348772296.db2.gz XTUAVWRUULRVIB-CQSZACIVSA-N -1 3 281.355 3.079 20 0 CGADHM CC(C)=CCC[C@@H](C)NC(=O)c1ccc2[nH][n-]c(=O)c2c1 ZINC000615697690 348759935 /nfs/dbraw/zinc/75/99/35/348759935.db2.gz ICZRJADGDGOYHL-LLVKDONJSA-N -1 3 287.363 3.133 20 0 CGADHM [O-]c1cc(F)cc(CN2CCc3c(F)cc(F)cc3C2)c1 ZINC000351988985 219280220 /nfs/dbraw/zinc/28/02/20/219280220.db2.gz ONIZRXYWHUNJSK-UHFFFAOYSA-N -1 3 293.288 3.368 20 0 CGADHM O=C(Nc1ccc([O-])cc1Cl)C1=CCCCC1 ZINC000616940764 348884945 /nfs/dbraw/zinc/88/49/45/348884945.db2.gz DXFONTSTDQQGAF-UHFFFAOYSA-N -1 3 251.713 3.485 20 0 CGADHM CO[C@H]1CCCC[C@@H]1C(=O)Nc1ccc([O-])cc1Cl ZINC000616940264 348885141 /nfs/dbraw/zinc/88/51/41/348885141.db2.gz VSJKDOVPFPWRKL-GWCFXTLKSA-N -1 3 283.755 3.189 20 0 CGADHM C[C@@H]1CC[C@@H](CCC(=O)Nc2ccc([O-])cc2Cl)O1 ZINC000616941098 348885153 /nfs/dbraw/zinc/88/51/53/348885153.db2.gz RGAULYXUTDMHBG-KOLCDFICSA-N -1 3 283.755 3.332 20 0 CGADHM C[C@H](C(=O)Nc1ccc([O-])cc1Cl)N1[C@H](C)CC[C@H]1C ZINC000616941788 348885959 /nfs/dbraw/zinc/88/59/59/348885959.db2.gz FSWUUXSEVZCOTL-GMTAPVOTSA-N -1 3 296.798 3.245 20 0 CGADHM CC1(C)CC[C@@H]1C(=O)Nc1ccc([O-])cc1Cl ZINC000616942818 348885973 /nfs/dbraw/zinc/88/59/73/348885973.db2.gz DPDICSIKBLIREB-SECBINFHSA-N -1 3 253.729 3.420 20 0 CGADHM [O-]c1cc(F)cc(CN2CCc3c(F)ccc(F)c3C2)c1 ZINC000352003413 219284547 /nfs/dbraw/zinc/28/45/47/219284547.db2.gz QDXPTUQZSBABLV-UHFFFAOYSA-N -1 3 293.288 3.368 20 0 CGADHM Cc1cccc(Oc2ccc(NC(=O)c3nc[n-]n3)cc2)c1 ZINC000358554506 233154636 /nfs/dbraw/zinc/15/46/36/233154636.db2.gz KJWQJDCHGYPEAP-UHFFFAOYSA-N -1 3 294.314 3.158 20 0 CGADHM [O-]c1ccc(Br)c(CN[C@@H]2CCC[C@H]2F)c1 ZINC000339586864 215260288 /nfs/dbraw/zinc/26/02/88/215260288.db2.gz MOAVMOPQEPAFOQ-VXGBXAGGSA-N -1 3 288.160 3.135 20 0 CGADHM CC[C@@](C)(NC(=O)c1cc([O-])ccc1Cl)C1CC1 ZINC000618959659 349185789 /nfs/dbraw/zinc/18/57/89/349185789.db2.gz CZFFRMOZJSAQHU-CQSZACIVSA-N -1 3 267.756 3.354 20 0 CGADHM CCc1cc(C(=O)Nc2ccc3c(c2)CCOC3)ccc1[O-] ZINC000618846142 349161733 /nfs/dbraw/zinc/16/17/33/349161733.db2.gz SJMOKRBAUOUPBP-UHFFFAOYSA-N -1 3 297.354 3.280 20 0 CGADHM CCCCn1c(=O)[n-]nc1S[C@H](C)c1ccncc1 ZINC000619950530 349295521 /nfs/dbraw/zinc/29/55/21/349295521.db2.gz OWVBDZLPRFHPFC-SNVBAGLBSA-N -1 3 278.381 3.032 20 0 CGADHM C[C@H](NC(=O)c1cccc([O-])c1)C1CCC(F)CC1 ZINC000619965861 349300204 /nfs/dbraw/zinc/30/02/04/349300204.db2.gz XQUXHOMCXVAROY-ZBOXLXRLSA-N -1 3 265.328 3.039 20 0 CGADHM O=C(CCCc1ccc([O-])c(F)c1)NCC1=CCCC1 ZINC000620009043 349306880 /nfs/dbraw/zinc/30/68/80/349306880.db2.gz ZTPKNLIZDKUYSW-UHFFFAOYSA-N -1 3 277.339 3.081 20 0 CGADHM Cc1ccc(-c2cc(C(=O)OCC(C)(C)C)[n-]n2)o1 ZINC000729095801 571874506 /nfs/dbraw/zinc/87/45/06/571874506.db2.gz AKVLASOHQUGDDW-UHFFFAOYSA-N -1 3 262.309 3.181 20 0 CGADHM Cc1ccc(-c2cc(C(=O)OCC(C)(C)C)n[n-]2)o1 ZINC000729095801 571874509 /nfs/dbraw/zinc/87/45/09/571874509.db2.gz AKVLASOHQUGDDW-UHFFFAOYSA-N -1 3 262.309 3.181 20 0 CGADHM CCCN(CC(F)F)C(=O)c1ccc(C)c(C)c1[O-] ZINC000271225154 191013421 /nfs/dbraw/zinc/01/34/21/191013421.db2.gz DMLSTFGUSNFOIF-UHFFFAOYSA-N -1 3 271.307 3.126 20 0 CGADHM CCC[C@H](NC(C)C)C(=O)Nc1cccc(Cl)c1[O-] ZINC000352060832 219306449 /nfs/dbraw/zinc/30/64/49/219306449.db2.gz VTQXFWVPKRCCBB-LBPRGKRZSA-N -1 3 284.787 3.151 20 0 CGADHM Cc1ncc(CN(C)Cc2cc([O-])ccc2Cl)s1 ZINC000625091188 350126987 /nfs/dbraw/zinc/12/69/87/350126987.db2.gz XVQLUKWXKDEUSL-UHFFFAOYSA-N -1 3 282.796 3.443 20 0 CGADHM [O-]c1ccc(Cl)c(CN(CC(F)F)C2CC2)c1 ZINC000625152661 350133493 /nfs/dbraw/zinc/13/34/93/350133493.db2.gz FJXNPTZMZUTZBD-UHFFFAOYSA-N -1 3 261.699 3.275 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CCCC[C@@H]1c1cccn1C ZINC000625964711 350236310 /nfs/dbraw/zinc/23/63/10/350236310.db2.gz FIIZOGUYWDXYSB-OAHLLOKOSA-N -1 3 298.386 3.407 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CC(C)(C)[C@@H]2CCC[C@@H]21 ZINC000627546422 350365366 /nfs/dbraw/zinc/36/53/66/350365366.db2.gz ULOUNUZIWOFFLG-OLZOCXBDSA-N -1 3 273.376 3.351 20 0 CGADHM CCC[C@]1(COC)CCCN1C(=O)c1c(C)cccc1[O-] ZINC000626681074 350331886 /nfs/dbraw/zinc/33/18/86/350331886.db2.gz LSYFPHMAUDRQSZ-QGZVFWFLSA-N -1 3 291.391 3.122 20 0 CGADHM CCCCN(C)C(=O)c1cc([O-])ccc1C(F)(F)F ZINC000352183895 219348430 /nfs/dbraw/zinc/34/84/30/219348430.db2.gz KBQOMZFKOMLTCF-UHFFFAOYSA-N -1 3 275.270 3.283 20 0 CGADHM Cc1ccc(C(=O)N(C)C(C2CC2)C2CC2)c([O-])c1C ZINC000271375799 191105209 /nfs/dbraw/zinc/10/52/09/191105209.db2.gz ZVPVGRBMBIBMDG-UHFFFAOYSA-N -1 3 273.376 3.270 20 0 CGADHM CCc1cc(C(=O)N2C[C@H](C)C(F)(F)[C@@H](C)C2)ccc1[O-] ZINC000628400984 350527285 /nfs/dbraw/zinc/52/72/85/350527285.db2.gz NERUCWVYYBYCMT-QWRGUYRKSA-N -1 3 297.345 3.318 20 0 CGADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1C[C@@H]2C[C@@H]2C1 ZINC000628514013 350565023 /nfs/dbraw/zinc/56/50/23/350565023.db2.gz KANHNZXGFBKAOA-BETUJISGSA-N -1 3 295.338 3.276 20 0 CGADHM CCCn1c(=O)[n-]nc1SCc1ccc(OC)c(C)c1 ZINC000629097291 350650780 /nfs/dbraw/zinc/65/07/80/350650780.db2.gz ZATUHRYTWJSUDW-UHFFFAOYSA-N -1 3 293.392 3.003 20 0 CGADHM CC[C@@H](C)c1cccc([N-]S(=O)(=O)C[C@@H]2CCCO2)c1 ZINC000629313779 350675387 /nfs/dbraw/zinc/67/53/87/350675387.db2.gz RLRCBGSVPGOOIB-DOMZBBRYSA-N -1 3 297.420 3.121 20 0 CGADHM CC(C)CN(C(=O)c1c[n-]c2ccccc2c1=O)C(C)C ZINC000630007956 350796813 /nfs/dbraw/zinc/79/68/13/350796813.db2.gz SDADMRGYTLPXBT-UHFFFAOYSA-N -1 3 286.375 3.035 20 0 CGADHM Cc1cccc([C@H](C)S(=O)(=O)c2ncc(C(C)C)[n-]2)c1 ZINC000630432657 350839296 /nfs/dbraw/zinc/83/92/96/350839296.db2.gz RUJYDCQZMWKGGU-LBPRGKRZSA-N -1 3 292.404 3.376 20 0 CGADHM Cc1cccc([C@H](C)S(=O)(=O)c2nc(C(C)C)c[n-]2)c1 ZINC000630432657 350839298 /nfs/dbraw/zinc/83/92/98/350839298.db2.gz RUJYDCQZMWKGGU-LBPRGKRZSA-N -1 3 292.404 3.376 20 0 CGADHM O=C([O-])[C@@H]1CCCCC[C@@H]1NCc1ccc(Cl)o1 ZINC000630463825 350843863 /nfs/dbraw/zinc/84/38/63/350843863.db2.gz CNIDPTCSAQPXIL-MNOVXSKESA-N -1 3 271.744 3.056 20 0 CGADHM Fc1cccc2nc([N-]c3cnn4c3CCCC4)oc21 ZINC000631487082 351051298 /nfs/dbraw/zinc/05/12/98/351051298.db2.gz OVCGNLGOVGFMHM-UHFFFAOYSA-N -1 3 272.283 3.243 20 0 CGADHM Cc1ccc(C(=O)N2CCC[C@@H](c3cccnc3)C2)c([O-])c1 ZINC000633539909 351319045 /nfs/dbraw/zinc/31/90/45/351319045.db2.gz LRBWFYHBDSTLRX-OAHLLOKOSA-N -1 3 296.370 3.115 20 0 CGADHM O=C(Nc1ccc([O-])cc1Cl)[C@@H]1C[C@H]1C1CCOCC1 ZINC000633605185 351331465 /nfs/dbraw/zinc/33/14/65/351331465.db2.gz YBJFNHDIPUAQDB-NWDGAFQWSA-N -1 3 295.766 3.047 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CCC(CCF)CC2)c1 ZINC000633960697 351404818 /nfs/dbraw/zinc/40/48/18/351404818.db2.gz COUNCNLIQBKQQN-UHFFFAOYSA-N -1 3 279.355 3.166 20 0 CGADHM CC1(C)CN(C(=O)c2ccccc2[O-])[C@@H]1c1ccco1 ZINC000633786079 351372112 /nfs/dbraw/zinc/37/21/12/351372112.db2.gz ITSPOOXHMYXLCC-CQSZACIVSA-N -1 3 271.316 3.209 20 0 CGADHM CCc1c(=O)n(Cc2cccnc2)[n-]c1-c1cccc(C)c1 ZINC000634591628 351528582 /nfs/dbraw/zinc/52/85/82/351528582.db2.gz JBYIHTNPNDCLHR-INIZCTEOSA-N -1 3 293.370 3.163 20 0 CGADHM CCc1cc(C(=O)Nc2nccn2CC(C)C)ccc1[O-] ZINC000291587412 198043279 /nfs/dbraw/zinc/04/32/79/198043279.db2.gz VRFIVCPCNUVWMQ-UHFFFAOYSA-N -1 3 287.363 3.059 20 0 CGADHM Cc1ccc([O-])c(CNC(C)(C)c2ccccc2F)n1 ZINC000291664950 198056447 /nfs/dbraw/zinc/05/64/47/198056447.db2.gz FQKJIQWEOCHHLW-UHFFFAOYSA-N -1 3 274.339 3.260 20 0 CGADHM [O-]C(=NOCCC(F)(F)F)Nc1cccc(Cl)c1 ZINC000122440621 187032535 /nfs/dbraw/zinc/03/25/35/187032535.db2.gz ROPPKSJYWNJSSM-UHFFFAOYSA-N -1 3 282.649 3.346 20 0 CGADHM O=C([N-]OCCC(F)(F)F)Nc1cccc(Cl)c1 ZINC000122440621 187032536 /nfs/dbraw/zinc/03/25/36/187032536.db2.gz ROPPKSJYWNJSSM-UHFFFAOYSA-N -1 3 282.649 3.346 20 0 CGADHM O=C(CCc1ccc2ccccc2n1)[N-]OC1CCCC1 ZINC000291754034 198080767 /nfs/dbraw/zinc/08/07/67/198080767.db2.gz UTCBENSUNSOYBK-UHFFFAOYSA-N -1 3 284.359 3.158 20 0 CGADHM COCc1ncsc1C(=O)[N-]c1ccccc1SC ZINC000339879008 215377458 /nfs/dbraw/zinc/37/74/58/215377458.db2.gz KOJXPVPVNTVIMI-UHFFFAOYSA-N -1 3 294.401 3.264 20 0 CGADHM C[C@@H]1CCN(C(=O)c2ccccc2[O-])CC12CCC2 ZINC000271458011 191149289 /nfs/dbraw/zinc/14/92/89/191149289.db2.gz ZUVHDILAVMFCHD-GFCCVEGCSA-N -1 3 259.349 3.045 20 0 CGADHM CC[C@H]1CC[C@H](C)N1C(=O)NCc1ccc([O-])c(F)c1 ZINC000271589015 191228469 /nfs/dbraw/zinc/22/84/69/191228469.db2.gz SSNXFQYPIGLEMX-JQWIXIFHSA-N -1 3 280.343 3.004 20 0 CGADHM CCCCC[C@@H](C)CC(=O)[N-]OCc1cccnc1 ZINC000152570602 188028981 /nfs/dbraw/zinc/02/89/81/188028981.db2.gz FFBLLBSYABCZCR-CYBMUJFWSA-N -1 3 264.369 3.236 20 0 CGADHM CC(C)CO[N-]C(=O)C[C@@H](C)c1ccccc1F ZINC000153466607 188084755 /nfs/dbraw/zinc/08/47/55/188084755.db2.gz MNURAGMLEVVPAP-LLVKDONJSA-N -1 3 253.317 3.023 20 0 CGADHM Cc1noc(C)c1[C@@H](C)CC(=O)Nc1ccc(C)cc1[O-] ZINC000155289563 188196039 /nfs/dbraw/zinc/19/60/39/188196039.db2.gz DDRSVXFHVFBFTR-JTQLQIEISA-N -1 3 288.347 3.438 20 0 CGADHM CC/C=C(/C)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000156526660 188266672 /nfs/dbraw/zinc/26/66/72/188266672.db2.gz NXUAYALPCYREJX-WTKPLQERSA-N -1 3 298.180 3.127 20 0 CGADHM CC[C@@H](C)CON=C([O-])Nc1cc(F)c(OC)cc1F ZINC000292635409 198358330 /nfs/dbraw/zinc/35/83/30/198358330.db2.gz GZEQGUFMCMMHEB-MRVPVSSYSA-N -1 3 288.294 3.073 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)Nc1cc(F)c(OC)cc1F ZINC000292635409 198358332 /nfs/dbraw/zinc/35/83/32/198358332.db2.gz GZEQGUFMCMMHEB-MRVPVSSYSA-N -1 3 288.294 3.073 20 0 CGADHM O=C(Nc1ccccc1[O-])C1(c2cccnc2)CCCC1 ZINC000336421745 213280482 /nfs/dbraw/zinc/28/04/82/213280482.db2.gz RFJSFQJGGYVEOZ-UHFFFAOYSA-N -1 3 282.343 3.238 20 0 CGADHM Cc1cccc(NC(=O)NCc2ncccc2[O-])c1Cl ZINC000336407630 213265608 /nfs/dbraw/zinc/26/56/08/213265608.db2.gz PKKZEJPVGANGJY-UHFFFAOYSA-N -1 3 291.738 3.071 20 0 CGADHM O=C(CCc1ccc(OC(F)F)cc1)[N-]OC1CCCC1 ZINC000271749217 191305528 /nfs/dbraw/zinc/30/55/28/191305528.db2.gz KFVSRSQJPXFJMF-UHFFFAOYSA-N -1 3 299.317 3.211 20 0 CGADHM Cc1cc(F)ccc1NC([O-])=NOC1CCCC1 ZINC000271776871 191320111 /nfs/dbraw/zinc/32/01/11/191320111.db2.gz GVTOWPMALSAKAA-UHFFFAOYSA-N -1 3 252.289 3.130 20 0 CGADHM Cc1cc(F)ccc1NC(=O)[N-]OC1CCCC1 ZINC000271776871 191320114 /nfs/dbraw/zinc/32/01/14/191320114.db2.gz GVTOWPMALSAKAA-UHFFFAOYSA-N -1 3 252.289 3.130 20 0 CGADHM CCCN(CC(C)(C)O)C(=O)c1ccc(C(C)C)cc1[O-] ZINC000271407307 283141823 /nfs/dbraw/zinc/14/18/23/283141823.db2.gz OYYCSDQCCJFEBL-UHFFFAOYSA-N -1 3 293.407 3.139 20 0 CGADHM Cc1ccc2c(CC(=O)[N-]OCC3CC3)coc2c1C ZINC000293766760 198763836 /nfs/dbraw/zinc/76/38/36/198763836.db2.gz MHQJGUILXHNMPW-UHFFFAOYSA-N -1 3 273.332 3.050 20 0 CGADHM Cc1cccc([C@H]2CCCN2C(=O)c2csc(=O)[n-]2)c1 ZINC000336313856 213157329 /nfs/dbraw/zinc/15/73/29/213157329.db2.gz FKBHEIJQEOBUIU-CYBMUJFWSA-N -1 3 288.372 3.134 20 0 CGADHM Cc1cc(F)c(CNC[C@H](CC(=O)[O-])CC(C)C)c(F)c1 ZINC000424618623 236172709 /nfs/dbraw/zinc/17/27/09/236172709.db2.gz MLUQLQYYRSWJBT-LBPRGKRZSA-N -1 3 299.361 3.500 20 0 CGADHM Cc1cc(C(=O)N[C@@H]2CCC[C@H](C3CC3)C2)ccc1[O-] ZINC000425149620 236217788 /nfs/dbraw/zinc/21/77/88/236217788.db2.gz RIXGEWBMOURBGW-DZGCQCFKSA-N -1 3 273.376 3.399 20 0 CGADHM Cc1ccc([C@H](NCc2cc(F)ccc2C)C(=O)[O-])cc1 ZINC000426676799 236306364 /nfs/dbraw/zinc/30/63/64/236306364.db2.gz GUPFJQZNWSYFTI-INIZCTEOSA-N -1 3 287.334 3.358 20 0 CGADHM Cc1ccc(C)c(CN[C@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC000426765094 236312875 /nfs/dbraw/zinc/31/28/75/236312875.db2.gz KCFDVAOHOLKVON-INIZCTEOSA-N -1 3 287.334 3.358 20 0 CGADHM O=C([O-])[C@H](NCc1ccc(F)c(Cl)c1)c1ccsc1 ZINC000426792920 236314706 /nfs/dbraw/zinc/31/47/06/236314706.db2.gz OKDKASREPHZSBQ-GFCCVEGCSA-N -1 3 299.754 3.456 20 0 CGADHM Cc1cccc(CN[C@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC000426807095 236315556 /nfs/dbraw/zinc/31/55/56/236315556.db2.gz FXODLRZTHGJCQR-HNNXBMFYSA-N -1 3 273.307 3.050 20 0 CGADHM CCC[C@@H](OC)C(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000450937818 535402284 /nfs/dbraw/zinc/40/22/84/535402284.db2.gz OPPJISYZOAMFGO-BXUZGUMPSA-N -1 3 277.364 3.048 20 0 CGADHM CSC[C@@H]1CCCN(C(=O)c2ccc(C)c(C)c2[O-])C1 ZINC000294787707 199182732 /nfs/dbraw/zinc/18/27/32/199182732.db2.gz ZSXHAOQCUBRFSK-CYBMUJFWSA-N -1 3 293.432 3.224 20 0 CGADHM Cc1ccc(C(=O)NCCCOC2CCCC2)c([O-])c1C ZINC000436539357 237121957 /nfs/dbraw/zinc/12/19/57/237121957.db2.gz OJPFRFNMMQCWNE-UHFFFAOYSA-N -1 3 291.391 3.088 20 0 CGADHM Cc1ccc(C(=O)N[C@@H]2CCc3c2cccc3O)c([O-])c1C ZINC000436553213 237129145 /nfs/dbraw/zinc/12/91/45/237129145.db2.gz ZGXIWYSDIUWGKT-OAHLLOKOSA-N -1 3 297.354 3.132 20 0 CGADHM Cc1ccc([O-])c(C(=O)N[C@@H]2CCCO[C@H]2CC(C)C)c1 ZINC000436567837 237131830 /nfs/dbraw/zinc/13/18/30/237131830.db2.gz YNNNWNGLJIJCQD-ZBFHGGJFSA-N -1 3 291.391 3.024 20 0 CGADHM Cc1ccc(C(=O)NC[C@@H]2CCc3ccccc32)c([O-])c1 ZINC000436828280 237188762 /nfs/dbraw/zinc/18/87/62/237188762.db2.gz HNXFQUHILKZVKL-AWEZNQCLSA-N -1 3 281.355 3.160 20 0 CGADHM CSCc1ccc(CNC(=O)c2ccccc2[O-])cc1 ZINC000436674075 237158655 /nfs/dbraw/zinc/15/86/55/237158655.db2.gz GVSORLXBCSCLCY-UHFFFAOYSA-N -1 3 287.384 3.185 20 0 CGADHM CC[C@@H]1CCc2nc(NC([O-])=NOCC3CC3)sc2C1 ZINC000296919220 200034596 /nfs/dbraw/zinc/03/45/96/200034596.db2.gz ZAHTYJAGNWCNPZ-SECBINFHSA-N -1 3 295.408 3.121 20 0 CGADHM CC[C@@H]1CCc2nc(NC(=O)[N-]OCC3CC3)sc2C1 ZINC000296919220 200034598 /nfs/dbraw/zinc/03/45/98/200034598.db2.gz ZAHTYJAGNWCNPZ-SECBINFHSA-N -1 3 295.408 3.121 20 0 CGADHM Cc1ocnc1C(=O)[N-]c1csnc1-c1ccccc1 ZINC000436720099 237166503 /nfs/dbraw/zinc/16/65/03/237166503.db2.gz ROLNFKGJEQDFKR-UHFFFAOYSA-N -1 3 285.328 3.359 20 0 CGADHM COC1(CNC(=O)c2ccc([O-])c(C)c2)CCC(C)CC1 ZINC000436895968 237204502 /nfs/dbraw/zinc/20/45/02/237204502.db2.gz WOEXDHLVQVHXKM-UHFFFAOYSA-N -1 3 291.391 3.026 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)c2ccncc2C)c1[O-] ZINC000436907778 237206352 /nfs/dbraw/zinc/20/63/52/237206352.db2.gz YVCQMAWDRPVUGE-UHFFFAOYSA-N -1 3 276.723 3.310 20 0 CGADHM O=C(N[C@H]1C[C@@H]1C1CCCCC1)c1ccccc1[O-] ZINC000436930376 237212187 /nfs/dbraw/zinc/21/21/87/237212187.db2.gz HDFVITYALFOZNS-KGLIPLIRSA-N -1 3 259.349 3.091 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)Nc1cccc(-c2ncco2)c1 ZINC000297631351 200247657 /nfs/dbraw/zinc/24/76/57/200247657.db2.gz CLOUUKMUBCKGJS-NSHDSACASA-N -1 3 289.335 3.441 20 0 CGADHM Cc1ccc(NC(=O)c2cnc(C)nc2C(C)C)c([O-])c1 ZINC000179328497 189186412 /nfs/dbraw/zinc/18/64/12/189186412.db2.gz NLWNMQQHVRNVEZ-UHFFFAOYSA-N -1 3 285.347 3.175 20 0 CGADHM CC(C)Cn1cc([N-]c2nc3ccccc3o2)cn1 ZINC000301417736 201002865 /nfs/dbraw/zinc/00/28/65/201002865.db2.gz BOZOKMAPSZDTHD-UHFFFAOYSA-N -1 3 256.309 3.424 20 0 CGADHM CCC[C@H](NCc1nc(CC)cc(=O)[n-]1)c1ccccc1 ZINC000181767673 189306261 /nfs/dbraw/zinc/30/62/61/189306261.db2.gz SBHOZHMEVXGPNW-HNNXBMFYSA-N -1 3 285.391 3.376 20 0 CGADHM O=C(c1cccc([O-])c1)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000182477549 189325286 /nfs/dbraw/zinc/32/52/86/189325286.db2.gz AGWYLBBXUNSSLH-CQSZACIVSA-N -1 3 299.345 3.236 20 0 CGADHM O=C(N[C@H](Cc1ccccc1)C1CC1)c1cccc([O-])c1 ZINC000182476868 189325674 /nfs/dbraw/zinc/32/56/74/189325674.db2.gz XIWABVRWDZYRMX-QGZVFWFLSA-N -1 3 281.355 3.143 20 0 CGADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H](C)C3CCC3)nc2)n1 ZINC000301859063 201235950 /nfs/dbraw/zinc/23/59/50/201235950.db2.gz SNPHDFMMWKQRTA-NSHDSACASA-N -1 3 298.390 3.407 20 0 CGADHM CC1(C)CCC[C@@H](NC(=O)Cc2ccc([O-])c(F)c2)C1 ZINC000451025176 240195285 /nfs/dbraw/zinc/19/52/85/240195285.db2.gz PRSIGRHSFBFJEV-GFCCVEGCSA-N -1 3 279.355 3.159 20 0 CGADHM CCc1ccc(C(=O)N2C[C@@H](C3CC3)[C@H]2C2CC2)c([O-])c1 ZINC000456257265 241384949 /nfs/dbraw/zinc/38/49/49/241384949.db2.gz QODNXWYOUAHEDV-DOTOQJQBSA-N -1 3 285.387 3.215 20 0 CGADHM CC(C)[C@@H]1CN(C(=O)c2ccccc2[O-])[C@H]1C(C)C ZINC000456275042 241389438 /nfs/dbraw/zinc/38/94/38/241389438.db2.gz ALPULWIVJTYVDN-ZFWWWQNUSA-N -1 3 261.365 3.145 20 0 CGADHM O=C(NC1(Cc2ccccc2)CCC1)c1ccccc1[O-] ZINC000436590386 283910697 /nfs/dbraw/zinc/91/06/97/283910697.db2.gz YOWOXMPZWRYQEE-UHFFFAOYSA-N -1 3 281.355 3.287 20 0 CGADHM [O-]c1cccc(CN[C@@H]2C=CCCC2)c1Br ZINC000459439211 242110795 /nfs/dbraw/zinc/11/07/95/242110795.db2.gz VVCYNJLVOKDABE-LLVKDONJSA-N -1 3 282.181 3.353 20 0 CGADHM CC1=CCN(Cc2cc(=O)[n-]c(-c3ccccc3)n2)CC1 ZINC000459365362 242091228 /nfs/dbraw/zinc/09/12/28/242091228.db2.gz AYWSVGGZTAMWNS-UHFFFAOYSA-N -1 3 281.359 3.001 20 0 CGADHM O=S(=O)([N-][C@H]1C[C@@H]1C1CCCCC1)c1ccccc1F ZINC000462503474 242347657 /nfs/dbraw/zinc/34/76/57/242347657.db2.gz PUJKZRHIPOECAI-OCCSQVGLSA-N -1 3 297.395 3.073 20 0 CGADHM COc1ccc([O-])c(C(=O)Nc2ccc(Cl)cc2)c1 ZINC000000024113 368271380 /nfs/dbraw/zinc/27/13/80/368271380.db2.gz JSQRWGTXSHZEQT-UHFFFAOYSA-N -1 3 277.707 3.307 20 0 CGADHM O=C(Nc1cc(Br)ccc1[O-])c1ccccc1 ZINC000001440350 368414413 /nfs/dbraw/zinc/41/44/13/368414413.db2.gz GTSCSPTWVIGNBR-UHFFFAOYSA-N -1 3 292.132 3.407 20 0 CGADHM Cc1cc(C(=O)NCCCc2ccccc2F)ccc1[O-] ZINC000478119192 243068347 /nfs/dbraw/zinc/06/83/47/243068347.db2.gz DOYGYIGGZSLABW-UHFFFAOYSA-N -1 3 287.334 3.202 20 0 CGADHM COc1ccccc1C=CC=Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000486053037 243352486 /nfs/dbraw/zinc/35/24/86/243352486.db2.gz KWWRXYJBWQDXBG-JHMJBTLWSA-N -1 3 294.354 3.383 20 0 CGADHM CC(=O)Nc1cccc(NC(=O)c2cc(C)ccc2[O-])c1C ZINC000012892185 368631630 /nfs/dbraw/zinc/63/16/30/368631630.db2.gz BAKIMPGTMTVIFD-UHFFFAOYSA-N -1 3 298.342 3.220 20 0 CGADHM CC[C@H](C)[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000016088923 368707719 /nfs/dbraw/zinc/70/77/19/368707719.db2.gz NSDZOGQCDRLJJA-ZETCQYMHSA-N -1 3 282.192 3.070 20 0 CGADHM C[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000013939374 368669391 /nfs/dbraw/zinc/66/93/91/368669391.db2.gz KJMUSVXKIAKWNV-DTWKUNHWSA-N -1 3 293.841 3.259 20 0 CGADHM COc1cccc(C(=O)Nc2cccc(C)c2C)c1[O-] ZINC000019840428 368771707 /nfs/dbraw/zinc/77/17/07/368771707.db2.gz MQEBQSTYYVZWFB-UHFFFAOYSA-N -1 3 271.316 3.270 20 0 CGADHM Cc1ccc(C(=O)Nc2ccc(F)cc2F)c([O-])c1 ZINC000019839801 368771983 /nfs/dbraw/zinc/77/19/83/368771983.db2.gz IUWNPBOWBUZUBZ-UHFFFAOYSA-N -1 3 263.243 3.231 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000024183358 368829748 /nfs/dbraw/zinc/82/97/48/368829748.db2.gz AARJNONPZPNUTH-SNVBAGLBSA-N -1 3 287.281 3.115 20 0 CGADHM Cc1ccc(C(=O)N(C)Cc2ccsc2)c([O-])c1 ZINC000035123747 368999203 /nfs/dbraw/zinc/99/92/03/368999203.db2.gz IZRDROPXKNXODM-UHFFFAOYSA-N -1 3 261.346 3.034 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)/C=C/c1ccc2ccccc2n1 ZINC000492800791 244027295 /nfs/dbraw/zinc/02/72/95/244027295.db2.gz NTEGYMZOYIIXEO-OCHBPSSRSA-N -1 3 284.359 3.342 20 0 CGADHM O=C(/C=C\c1ccc(Cl)s1)[N-]OC1CCC1 ZINC000493032640 244082957 /nfs/dbraw/zinc/08/29/57/244082957.db2.gz ZOTYOEPQAUQGIJ-ALCCZGGFSA-N -1 3 257.742 3.015 20 0 CGADHM Cc1cccc(C(=O)N(C)[C@@H]2CCC[C@@H](C)C2)c1[O-] ZINC000042355360 369216299 /nfs/dbraw/zinc/21/62/99/369216299.db2.gz LXDPVWKMTABSAV-DGCLKSJQSA-N -1 3 261.365 3.351 20 0 CGADHM CC(C)[C@H]1CCCN1Cc1nc(=O)c2sccc2[n-]1 ZINC000049077596 369386189 /nfs/dbraw/zinc/38/61/89/369386189.db2.gz FAISOBSJFMAZMB-LLVKDONJSA-N -1 3 277.393 3.017 20 0 CGADHM Cc1cc(C)cc(N(C)C(=O)c2cccc([O-])c2)c1 ZINC000049973268 369425030 /nfs/dbraw/zinc/42/50/30/369425030.db2.gz YVUJIQLDIAZZDU-UHFFFAOYSA-N -1 3 255.317 3.286 20 0 CGADHM CCC1(CC)CCN(C(=O)c2ccccc2[O-])CC1 ZINC000062959672 369633048 /nfs/dbraw/zinc/63/30/48/369633048.db2.gz BLOONJSBAVZELS-UHFFFAOYSA-N -1 3 261.365 3.435 20 0 CGADHM C[C@H](c1ccccc1F)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000086809995 370021987 /nfs/dbraw/zinc/02/19/87/370021987.db2.gz XVSKFVJNFNFWHB-CHWSQXEVSA-N -1 3 279.355 3.464 20 0 CGADHM C[C@]1(C(=O)[O-])CCN(Cc2cc(Cl)cc(Cl)c2)C1 ZINC000086778976 370022053 /nfs/dbraw/zinc/02/20/53/370022053.db2.gz HBNCLHUIENQCCA-ZDUSSCGKSA-N -1 3 288.174 3.290 20 0 CGADHM O=C(Nc1ccccc1[O-])[C@@H]1C[C@@H]1c1ccc(F)cc1F ZINC000113414266 370473246 /nfs/dbraw/zinc/47/32/46/370473246.db2.gz CWQJNXKXCHBGIB-VXGBXAGGSA-N -1 3 289.281 3.413 20 0 CGADHM CCC(CC)CN(CC)Cc1nc(=O)c2sccc2[n-]1 ZINC000114725806 370510190 /nfs/dbraw/zinc/51/01/90/370510190.db2.gz OPQCOISPEAYDMP-UHFFFAOYSA-N -1 3 293.436 3.243 20 0 CGADHM Cc1cc(C)c2c(=O)[n-]c(SCC3CCC3)nc2n1 ZINC000513166024 245068248 /nfs/dbraw/zinc/06/82/48/245068248.db2.gz OVSVMTGLWBLFFC-UHFFFAOYSA-N -1 3 275.377 3.239 20 0 CGADHM CCCCc1nnc([N-]C(=O)c2cc(C)c(C)o2)s1 ZINC000134754402 371362732 /nfs/dbraw/zinc/36/27/32/371362732.db2.gz CBMCHVVZQACEHH-UHFFFAOYSA-N -1 3 279.365 3.343 20 0 CGADHM Cc1cc(F)cc(NC(=O)c2c[n-]c3ccccc3c2=O)c1 ZINC000135042706 371385618 /nfs/dbraw/zinc/38/56/18/371385618.db2.gz DFXNBKWMHXIRMM-UHFFFAOYSA-N -1 3 296.301 3.228 20 0 CGADHM Cc1cc(F)cc(NC(=O)c2cnc3ccccc3c2[O-])c1 ZINC000135042706 371385624 /nfs/dbraw/zinc/38/56/24/371385624.db2.gz DFXNBKWMHXIRMM-UHFFFAOYSA-N -1 3 296.301 3.228 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)[C@@]23C[C@@H]2CCC3)c1[O-] ZINC000421789790 371632395 /nfs/dbraw/zinc/63/23/95/371632395.db2.gz BQLSFXGRQOBBPW-XPTSAGLGSA-N -1 3 265.740 3.483 20 0 CGADHM CN(C(=O)c1ccccc1[O-])C1CCC(F)(F)CC1 ZINC000288022317 371725256 /nfs/dbraw/zinc/72/52/56/371725256.db2.gz BVTYZZXRCLFEQQ-UHFFFAOYSA-N -1 3 269.291 3.042 20 0 CGADHM O=C(Nc1ccc(Cl)cc1[O-])c1ccc2n[nH]cc2c1 ZINC000153420542 371767665 /nfs/dbraw/zinc/76/76/65/371767665.db2.gz AMIDAOSIPWBPBL-UHFFFAOYSA-N -1 3 287.706 3.174 20 0 CGADHM Cc1cc(NC([O-])=NOCC(C)C)nn1C1CCCCC1 ZINC000289619340 371775642 /nfs/dbraw/zinc/77/56/42/371775642.db2.gz AYPGLLPRPCDFCT-UHFFFAOYSA-N -1 3 294.399 3.406 20 0 CGADHM Cc1cc(NC(=O)[N-]OCC(C)C)nn1C1CCCCC1 ZINC000289619340 371775653 /nfs/dbraw/zinc/77/56/53/371775653.db2.gz AYPGLLPRPCDFCT-UHFFFAOYSA-N -1 3 294.399 3.406 20 0 CGADHM Cc1cccc(CN[C@@H](CC(=O)[O-])c2cccs2)c1 ZINC000037087871 541860897 /nfs/dbraw/zinc/86/08/97/541860897.db2.gz RLENIEFHKHCLQA-ZDUSSCGKSA-N -1 3 275.373 3.362 20 0 CGADHM Cc1cccc(OCC(=O)N2CCCc3cccc([O-])c32)c1 ZINC000155570252 371934809 /nfs/dbraw/zinc/93/48/09/371934809.db2.gz IPBASQAYYVWAKQ-UHFFFAOYSA-N -1 3 297.354 3.059 20 0 CGADHM C[C@@H](NC(=O)NCc1ccc([O-])c(F)c1)c1ccccc1 ZINC000154975135 371894428 /nfs/dbraw/zinc/89/44/28/371894428.db2.gz KYTGOQULVZQVTD-LLVKDONJSA-N -1 3 288.322 3.092 20 0 CGADHM O=C(/C=C/c1cccc(F)c1)NCc1ccc([O-])c(F)c1 ZINC000156217546 371967980 /nfs/dbraw/zinc/96/79/80/371967980.db2.gz JLBNTEXWGNJXGE-FNORWQNLSA-N -1 3 289.281 3.000 20 0 CGADHM O=c1nc([C@@H]2CCOC2)[n-]c2scc(-c3ccccc3)c21 ZINC000157423953 372019668 /nfs/dbraw/zinc/01/96/68/372019668.db2.gz GBSJDYQTPFMYIP-LLVKDONJSA-N -1 3 298.367 3.156 20 0 CGADHM CO[C@@H]1CCCN(Cc2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000290510785 372005876 /nfs/dbraw/zinc/00/58/76/372005876.db2.gz TXINCLXWTDPDFM-CYBMUJFWSA-N -1 3 289.297 3.022 20 0 CGADHM O=C([N-]OCC1CC1)Nc1cccc(SC(F)F)c1 ZINC000292804740 372214063 /nfs/dbraw/zinc/21/40/63/372214063.db2.gz BSJMHGFQWHQTPS-UHFFFAOYSA-N -1 3 288.319 3.464 20 0 CGADHM CC[C@H](C)OCC(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000161915005 372360742 /nfs/dbraw/zinc/36/07/42/372360742.db2.gz OEHNARBQNWSSQP-QMMMGPOBSA-N -1 3 291.269 3.165 20 0 CGADHM Cc1ccc([O-])c(CNc2ccc([C@H]3CCOC3)cc2)n1 ZINC000293207898 372326796 /nfs/dbraw/zinc/32/67/96/372326796.db2.gz YDHSRNZAQLHUFL-AWEZNQCLSA-N -1 3 284.359 3.212 20 0 CGADHM C[C@@H](NCc1cccc([O-])c1Cl)[C@H]1CCCCO1 ZINC000293323247 372355738 /nfs/dbraw/zinc/35/57/38/372355738.db2.gz RCSRAYUDXLAQKI-ZWNOBZJWSA-N -1 3 269.772 3.093 20 0 CGADHM CCc1cccc(CC(=O)Nc2cc(F)ccc2[O-])c1 ZINC000162378877 372391316 /nfs/dbraw/zinc/39/13/16/372391316.db2.gz NCOURRDXYKOGSX-UHFFFAOYSA-N -1 3 273.307 3.275 20 0 CGADHM [O-]c1ccc(F)c(CNCCC[C@@H]2CCCCO2)c1F ZINC000293531806 372404788 /nfs/dbraw/zinc/40/47/88/372404788.db2.gz DYNJDJOUZBJISA-NSHDSACASA-N -1 3 285.334 3.109 20 0 CGADHM Cc1ccc([O-])c(CN2CCC[C@@H]2c2cccs2)n1 ZINC000162688848 372410346 /nfs/dbraw/zinc/41/03/46/372410346.db2.gz QCJKHAQIHLPGMX-CYBMUJFWSA-N -1 3 274.389 3.494 20 0 CGADHM O=C(Cc1ccc(F)cc1Cl)[N-]OCCC(F)(F)F ZINC000162739214 372415619 /nfs/dbraw/zinc/41/56/19/372415619.db2.gz LGXJECRYFVRZCA-UHFFFAOYSA-N -1 3 299.651 3.022 20 0 CGADHM CCc1cc(=O)[n-]c(CN(Cc2ccccc2)CC(C)C)n1 ZINC000344400911 217181860 /nfs/dbraw/zinc/18/18/60/217181860.db2.gz KWQMDZWBRFAKOX-UHFFFAOYSA-N -1 3 299.418 3.403 20 0 CGADHM Cc1cc(C(=O)N2CC(C)(C)[C@H]2c2cccnc2)ccc1[O-] ZINC000293686616 372451239 /nfs/dbraw/zinc/45/12/39/372451239.db2.gz HNRLJXCZCZCZDG-MRXNPFEDSA-N -1 3 296.370 3.319 20 0 CGADHM O=C(NC[C@@H]1CCCCC(F)(F)C1)c1cccc([O-])c1 ZINC000293695963 372452488 /nfs/dbraw/zinc/45/24/88/372452488.db2.gz QDCKQBOQTAAKFR-LLVKDONJSA-N -1 3 283.318 3.338 20 0 CGADHM CC(C)[C@@H]1N(C(=O)c2c[n-]c3ccccc3c2=O)CC1(C)C ZINC000293916629 372523172 /nfs/dbraw/zinc/52/31/72/372523172.db2.gz MSCWCPQETUEKSP-INIZCTEOSA-N -1 3 298.386 3.447 20 0 CGADHM CO[C@@H](CNCc1c(F)ccc([O-])c1F)c1ccccc1 ZINC000294269051 372634700 /nfs/dbraw/zinc/63/47/00/372634700.db2.gz OJAMCCPMSZPDMJ-HNNXBMFYSA-N -1 3 293.313 3.148 20 0 CGADHM C[C@H]1CCN(C(=O)CSC(F)F)c2c([O-])cccc21 ZINC000295456659 372790128 /nfs/dbraw/zinc/79/01/28/372790128.db2.gz WXMURACJLMJTBJ-QMMMGPOBSA-N -1 3 287.331 3.188 20 0 CGADHM CC(C)(C)C(=O)CCCC(=O)Nc1cc(F)ccc1[O-] ZINC000295448276 372786224 /nfs/dbraw/zinc/78/62/24/372786224.db2.gz XUABROMNJNIHTD-UHFFFAOYSA-N -1 3 281.327 3.255 20 0 CGADHM C[C@@H]1[C@H](C(=O)NCc2ccc([O-])c(F)c2)[C@H]1c1ccccc1 ZINC000435760959 372806001 /nfs/dbraw/zinc/80/60/01/372806001.db2.gz OZULUNVUAWITDA-JECHBYEQSA-N -1 3 299.345 3.197 20 0 CGADHM CC(C)O[N-]C(=O)CCCc1ccc(Cl)cc1 ZINC000295518587 372810780 /nfs/dbraw/zinc/81/07/80/372810780.db2.gz IHQXLRZXMUARML-UHFFFAOYSA-N -1 3 255.745 3.119 20 0 CGADHM C[C@@H]1CCC[C@@H](CNC(=O)c2cccc([O-])c2)[C@H]1C ZINC000435927688 372826300 /nfs/dbraw/zinc/82/63/00/372826300.db2.gz CYMSXSPGSHKTAB-DYEKYZERSA-N -1 3 261.365 3.194 20 0 CGADHM O=C(NCC1=CCCCC1)c1cc([O-])ccc1Cl ZINC000295784889 372910802 /nfs/dbraw/zinc/91/08/02/372910802.db2.gz LQEQOTPSYNVTHR-UHFFFAOYSA-N -1 3 265.740 3.276 20 0 CGADHM CCC1([N-]C(=O)C(F)(F)c2c(F)cccc2F)CC1 ZINC000296062430 373009789 /nfs/dbraw/zinc/00/97/89/373009789.db2.gz ZYSAWOKQHMNYMH-UHFFFAOYSA-N -1 3 275.245 3.115 20 0 CGADHM CCC[C@@H]1[C@H](C)CCCN1C(=O)c1ccc([O-])c(OC)c1 ZINC000443276982 373150708 /nfs/dbraw/zinc/15/07/08/373150708.db2.gz BDVDTXLLMBWFQD-TZMCWYRMSA-N -1 3 291.391 3.442 20 0 CGADHM CC1(C)C[C@H]1C(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000442945523 373130455 /nfs/dbraw/zinc/13/04/55/373130455.db2.gz PVZVZVVEFBKZQP-QMMMGPOBSA-N -1 3 289.253 3.275 20 0 CGADHM CCc1c(C)sc2[n-]c(COC3CCCC3)nc(=O)c12 ZINC000174446697 373316277 /nfs/dbraw/zinc/31/62/77/373316277.db2.gz JMLSDFSFSJUKGN-UHFFFAOYSA-N -1 3 292.404 3.315 20 0 CGADHM Cc1ccc(NC(=O)[N-]OCC2CC2)cc1OC(C)C ZINC000298535017 373350919 /nfs/dbraw/zinc/35/09/19/373350919.db2.gz VKFWCSMJTDBDIQ-UHFFFAOYSA-N -1 3 278.352 3.245 20 0 CGADHM CC[C@@]1(C)CCCN(C(=O)c2cccc(OC)c2[O-])C1 ZINC000174752089 373361294 /nfs/dbraw/zinc/36/12/94/373361294.db2.gz MWCOVVVCLRSCSM-INIZCTEOSA-N -1 3 277.364 3.053 20 0 CGADHM O=C(NCc1ccc([O-])c(F)c1)N1CCC[C@H]2CCC[C@@H]21 ZINC000175191280 373426404 /nfs/dbraw/zinc/42/64/04/373426404.db2.gz JIDYLAJNZXQTTG-OCCSQVGLSA-N -1 3 292.354 3.005 20 0 CGADHM Cc1cc(CSc2nc3nncc-3c(O)[n-]2)c(C)s1 ZINC000299210142 373482353 /nfs/dbraw/zinc/48/23/53/373482353.db2.gz IJCMDUJDNSKHAJ-UHFFFAOYSA-N -1 3 292.389 3.029 20 0 CGADHM C[C@H]1CC[C@@H](CCC(=O)Nc2cc(Cl)ccc2[O-])O1 ZINC000175613594 373492759 /nfs/dbraw/zinc/49/27/59/373492759.db2.gz ZSUKJXATQKPVFS-ONGXEEELSA-N -1 3 283.755 3.332 20 0 CGADHM [O-]c1ccc(Br)c(CN2CC[C@H]2C2CC2)c1 ZINC000449426985 373702195 /nfs/dbraw/zinc/70/21/95/373702195.db2.gz MFXGQKTWQWZOAZ-ZDUSSCGKSA-N -1 3 282.181 3.139 20 0 CGADHM [O-]c1ccc(F)c(CN2C[C@@H]3CCCC[C@@H]3C2)c1F ZINC000449506528 373807230 /nfs/dbraw/zinc/80/72/30/373807230.db2.gz ZBWUJHKZHHQHSZ-PHIMTYICSA-N -1 3 267.319 3.292 20 0 CGADHM Cc1cccc([O-])c1NC(=O)COc1c(C)cccc1C ZINC000179561130 373887873 /nfs/dbraw/zinc/88/78/73/373887873.db2.gz DWPYJEHHARJGLI-UHFFFAOYSA-N -1 3 285.343 3.335 20 0 CGADHM COc1ccc(CC(=O)Nc2c(C)cccc2[O-])cc1F ZINC000179564026 373887975 /nfs/dbraw/zinc/88/79/75/373887975.db2.gz SBDTUNMFZSPYDP-UHFFFAOYSA-N -1 3 289.306 3.030 20 0 CGADHM O=C(Nc1cccc([O-])c1F)c1ccc2ncsc2c1 ZINC000179152501 373842935 /nfs/dbraw/zinc/84/29/35/373842935.db2.gz PIOJJDFOICAEAB-UHFFFAOYSA-N -1 3 288.303 3.393 20 0 CGADHM CCC[C@@]1(C)CCCN(C(=O)c2cccc3[n-]nnc32)C1 ZINC000180097480 373964215 /nfs/dbraw/zinc/96/42/15/373964215.db2.gz BWJKZCWYOGTELX-INIZCTEOSA-N -1 3 286.379 3.000 20 0 CGADHM CCC[C@@]1(C)CCCN(C(=O)c2cccc3nn[n-]c32)C1 ZINC000180097480 373964225 /nfs/dbraw/zinc/96/42/25/373964225.db2.gz BWJKZCWYOGTELX-INIZCTEOSA-N -1 3 286.379 3.000 20 0 CGADHM CCC[C@@]1(C)CCCN(C(=O)c2cccc3n[n-]nc32)C1 ZINC000180097480 373964229 /nfs/dbraw/zinc/96/42/29/373964229.db2.gz BWJKZCWYOGTELX-INIZCTEOSA-N -1 3 286.379 3.000 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2ccc(C)c(O)c2C)c1 ZINC000179824482 373922313 /nfs/dbraw/zinc/92/23/13/373922313.db2.gz PCIZVIPCZHBXKH-UHFFFAOYSA-N -1 3 271.316 3.275 20 0 CGADHM CCc1ccc(CC(=O)Nc2ccc([O-])cc2F)cc1 ZINC000180464784 374011246 /nfs/dbraw/zinc/01/12/46/374011246.db2.gz MEDZDSHRCUORLI-UHFFFAOYSA-N -1 3 273.307 3.275 20 0 CGADHM CC(C)Cc1ccc(CC(=O)Nc2ncccc2[O-])cc1 ZINC000302818978 373973322 /nfs/dbraw/zinc/97/33/22/373973322.db2.gz WPCYLGFIAQBFHO-UHFFFAOYSA-N -1 3 284.359 3.167 20 0 CGADHM COc1cccc(C(=O)NC[C@@H](C)c2ccc(C)cc2)c1[O-] ZINC000303732423 374027934 /nfs/dbraw/zinc/02/79/34/374027934.db2.gz FDXJRLWFVHMRKB-CYBMUJFWSA-N -1 3 299.370 3.243 20 0 CGADHM O=C(Nc1ncccc1[O-])c1ccc(Cl)c2cccnc12 ZINC000181001841 374068200 /nfs/dbraw/zinc/06/82/00/374068200.db2.gz MSAJVPIJKJMQCX-UHFFFAOYSA-N -1 3 299.717 3.241 20 0 CGADHM CC(=O)c1[n-]c(=N[C@H]2CCO[C@H](C(C)(C)C)C2)sc1C ZINC000450413136 374112802 /nfs/dbraw/zinc/11/28/02/374112802.db2.gz SGJYBJWUCAFHBB-RYUDHWBXSA-N -1 3 296.436 3.082 20 0 CGADHM Cc1nscc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000181168121 374088962 /nfs/dbraw/zinc/08/89/62/374088962.db2.gz NDQSDMXSZCWORL-UHFFFAOYSA-N -1 3 268.725 3.063 20 0 CGADHM CC[C@H](CNCc1cc(Cl)ccc1F)CC(=O)[O-] ZINC000311085472 374230723 /nfs/dbraw/zinc/23/07/23/374230723.db2.gz GYMZYCSBVNKEAW-VIFPVBQESA-N -1 3 273.735 3.070 20 0 CGADHM COc1ccc([C@@H]2CCN(C(=O)c3cccc([O-])c3)C2)cc1 ZINC000182277702 374250223 /nfs/dbraw/zinc/25/02/23/374250223.db2.gz YDNNAYKUWYJXGS-OAHLLOKOSA-N -1 3 297.354 3.031 20 0 CGADHM C[C@H]1CCC[C@H](C)N1C(=O)Cc1ccc([O-])cc1Cl ZINC000182378351 374266040 /nfs/dbraw/zinc/26/60/40/374266040.db2.gz AZLJXMQUHOEMSB-QWRGUYRKSA-N -1 3 281.783 3.378 20 0 CGADHM COc1ccc(CC[C@H](C)NC(=O)c2cccc([O-])c2)cc1 ZINC000182242198 374243781 /nfs/dbraw/zinc/24/37/81/374243781.db2.gz NDNPYRUBEXVFEP-ZDUSSCGKSA-N -1 3 299.370 3.152 20 0 CGADHM Cc1cc(S(=O)(=O)[N-]c2ccccc2Cl)c(C)o1 ZINC000182764751 374322604 /nfs/dbraw/zinc/32/26/04/374322604.db2.gz VHTIBCYSIRLYJT-UHFFFAOYSA-N -1 3 285.752 3.351 20 0 CGADHM COc1cccc([C@@H]2C[C@H]2C(=O)Nc2c(C)cccc2[O-])c1 ZINC000183029967 374357993 /nfs/dbraw/zinc/35/79/93/374357993.db2.gz KYKTXZVLQNWNEJ-LSDHHAIUSA-N -1 3 297.354 3.451 20 0 CGADHM Cc1cccc([O-])c1NC(=O)c1cc(F)c(F)cc1F ZINC000183050222 374363629 /nfs/dbraw/zinc/36/36/29/374363629.db2.gz NTEZUQOBHMQLSR-UHFFFAOYSA-N -1 3 281.233 3.370 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CC[C@]3(C)[C@H](C2)C3(F)F)c1 ZINC000334140393 206048507 /nfs/dbraw/zinc/04/85/07/206048507.db2.gz FVWDDKSZTPEZDU-DZGCQCFKSA-N -1 3 295.329 3.072 20 0 CGADHM CCc1cc(=O)[n-]c(CN[C@@H](C)c2cc(C)sc2C)n1 ZINC000182986088 374352280 /nfs/dbraw/zinc/35/22/80/374352280.db2.gz QMJRZXJIQMRLEG-JTQLQIEISA-N -1 3 291.420 3.274 20 0 CGADHM CCc1ccccc1OCC(=O)Nc1ccc([O-])cc1F ZINC000183265481 374392921 /nfs/dbraw/zinc/39/29/21/374392921.db2.gz OAUZHHDFQUWBSC-UHFFFAOYSA-N -1 3 289.306 3.111 20 0 CGADHM Cc1ccc(CN2CCC(CCC(=O)[O-])CC2)cc1F ZINC000086755962 541940885 /nfs/dbraw/zinc/94/08/85/541940885.db2.gz HDBGLESYUOTKRE-UHFFFAOYSA-N -1 3 279.355 3.211 20 0 CGADHM CC(C)[C@@](C)(O)C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000330399631 374459628 /nfs/dbraw/zinc/45/96/28/374459628.db2.gz MUAPVQBHUJTYER-MRXNPFEDSA-N -1 3 279.380 3.035 20 0 CGADHM C[C@H]1C[C@@H](C(=O)Nc2ccc(C(C)(C)C)cc2[O-])CO1 ZINC000330416289 374460562 /nfs/dbraw/zinc/46/05/62/374460562.db2.gz VDMXXQHGOKFMPI-WDEREUQCSA-N -1 3 277.364 3.053 20 0 CGADHM COc1ccc(C[S@@](=O)c2cccc([O-])c2)cc1Cl ZINC000184076375 374490309 /nfs/dbraw/zinc/49/03/09/374490309.db2.gz SQPQXENHRDOGRK-LJQANCHMSA-N -1 3 296.775 3.362 20 0 CGADHM CCc1cc(C(=O)[N-]c2c(C)noc2C)oc1CC ZINC000331094718 374504573 /nfs/dbraw/zinc/50/45/73/374504573.db2.gz ARQBDGYQMXKYBD-UHFFFAOYSA-N -1 3 262.309 3.262 20 0 CGADHM Cc1cc(C(=O)N2C[C@@H](C(C)C)[C@@H]2C(C)C)ccc1[O-] ZINC000456324963 374514274 /nfs/dbraw/zinc/51/42/74/374514274.db2.gz HYTPQVHXAGMBMI-HOCLYGCPSA-N -1 3 275.392 3.453 20 0 CGADHM C[C@@H](NCc1cc([O-])cc(F)c1)c1cccc(O)c1 ZINC000184139287 374496443 /nfs/dbraw/zinc/49/64/43/374496443.db2.gz RCQZWUGRCRUKPC-SNVBAGLBSA-N -1 3 261.296 3.088 20 0 CGADHM CSc1cccc(C)c1[N-]C(=O)c1cc(C)on1 ZINC000184622213 374543900 /nfs/dbraw/zinc/54/39/00/374543900.db2.gz BEFFJWIKAOVROE-UHFFFAOYSA-N -1 3 262.334 3.266 20 0 CGADHM O=C(NC1CCc2ccccc2CC1)c1cccc([O-])c1 ZINC000456458956 374548712 /nfs/dbraw/zinc/54/87/12/374548712.db2.gz OCFHOZLZGFZSBZ-UHFFFAOYSA-N -1 3 281.355 3.070 20 0 CGADHM Cc1cc(C(=O)N2CCC[C@H]2c2cccnc2)ccc1[O-] ZINC000334201061 206183359 /nfs/dbraw/zinc/18/33/59/206183359.db2.gz NWVTUFLJQKKFMI-HNNXBMFYSA-N -1 3 282.343 3.073 20 0 CGADHM O=C(Cc1ccoc1)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000185623688 374701343 /nfs/dbraw/zinc/70/13/43/374701343.db2.gz FRXGGLAOIZRLNZ-UHFFFAOYSA-N -1 3 285.221 3.185 20 0 CGADHM CC(=O)CCCC(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000185721202 374723181 /nfs/dbraw/zinc/72/31/81/374723181.db2.gz LFBOFTCJVHGJIK-UHFFFAOYSA-N -1 3 269.728 3.052 20 0 CGADHM CCC1(c2ccccc2)CN(C(=O)c2cccc([O-])c2)C1 ZINC000458234483 374729409 /nfs/dbraw/zinc/72/94/09/374729409.db2.gz UNSREJPGKUYBIY-UHFFFAOYSA-N -1 3 281.355 3.196 20 0 CGADHM CN(CCOc1ccccc1)Cc1cc([O-])cc(F)c1 ZINC000186150392 374803802 /nfs/dbraw/zinc/80/38/02/374803802.db2.gz VLZHRMZERPCCON-UHFFFAOYSA-N -1 3 275.323 3.042 20 0 CGADHM C[C@H](C(=O)Nc1ccc(Cl)cc1[O-])C1CCOCC1 ZINC000334462849 374772576 /nfs/dbraw/zinc/77/25/76/374772576.db2.gz QTYMHBFBVXIJLS-VIFPVBQESA-N -1 3 283.755 3.047 20 0 CGADHM C[C@H]1CC[C@H](C(=O)[O-])CN1Cc1cc2cc(F)ccc2o1 ZINC000334587846 374888078 /nfs/dbraw/zinc/88/80/78/374888078.db2.gz QEVNMYXGZWAXRI-QWRGUYRKSA-N -1 3 291.322 3.257 20 0 CGADHM CCN(CC1CC1)C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000186330414 374834122 /nfs/dbraw/zinc/83/41/22/374834122.db2.gz FMDPULOQVGBDSS-UHFFFAOYSA-N -1 3 273.376 3.143 20 0 CGADHM [O-]c1ccc(Cc2nc([C@H]3CCCCS3)no2)cc1F ZINC000334676134 374966189 /nfs/dbraw/zinc/96/61/89/374966189.db2.gz SSGKSUOPMSMWOC-GFCCVEGCSA-N -1 3 294.351 3.463 20 0 CGADHM O=C(CC1CC(F)(F)C1)Nc1cc(Cl)ccc1[O-] ZINC000334682446 374971770 /nfs/dbraw/zinc/97/17/70/374971770.db2.gz OCJCLVCOAUXVMY-UHFFFAOYSA-N -1 3 275.682 3.420 20 0 CGADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CC=CCC2)sc1Cl ZINC000187987853 375133115 /nfs/dbraw/zinc/13/31/15/375133115.db2.gz PZGDVBAEWBPXGN-SECBINFHSA-N -1 3 291.825 3.097 20 0 CGADHM [O-]c1cccc(CN[C@@H]2CC[C@H](F)C2)c1Br ZINC000335168194 375194562 /nfs/dbraw/zinc/19/45/62/375194562.db2.gz HJBIJCNFJQEKPV-VHSXEESVSA-N -1 3 288.160 3.135 20 0 CGADHM Cc1ncsc1/C=C/C(=O)Nc1cc(Cl)ccc1[O-] ZINC000189011628 375310952 /nfs/dbraw/zinc/31/09/52/375310952.db2.gz VQSSTCPNXRNUHV-SNAWJCMRSA-N -1 3 294.763 3.462 20 0 CGADHM CCc1cc(C(=O)NC[C@H]2CC[C@@H](C)C2)ccc1[O-] ZINC000487598445 375261596 /nfs/dbraw/zinc/26/15/96/375261596.db2.gz SLJYYKZZHLMDEB-NEPJUHHUSA-N -1 3 261.365 3.121 20 0 CGADHM CCCCOc1ccc(C(=O)N2CCC[C@H](C)C2)c([O-])c1 ZINC000189993535 375466657 /nfs/dbraw/zinc/46/66/57/375466657.db2.gz LTPAEYZNVKSLSQ-ZDUSSCGKSA-N -1 3 291.391 3.443 20 0 CGADHM C[C@@H]1C[C@@H](C(=O)Nc2ccc(Cl)cc2[O-])C[C@H](C)O1 ZINC000335803481 375444826 /nfs/dbraw/zinc/44/48/26/375444826.db2.gz DIERDINTGJPNPU-ILWJIGKKSA-N -1 3 283.755 3.188 20 0 CGADHM O=C(c1cccc([O-])c1)N1CC[C@H](c2ccccc2F)C1 ZINC000335837836 375471884 /nfs/dbraw/zinc/47/18/84/375471884.db2.gz MXYRMWIPYLENKC-ZDUSSCGKSA-N -1 3 285.318 3.161 20 0 CGADHM O=C(Nc1ccccc1[O-])c1csc(Cl)c1 ZINC000190202424 375484434 /nfs/dbraw/zinc/48/44/34/375484434.db2.gz CBRTXAPPFHSSMZ-UHFFFAOYSA-N -1 3 253.710 3.359 20 0 CGADHM O=C(Nc1ccccc1[O-])c1sccc1Cl ZINC000335941223 375556098 /nfs/dbraw/zinc/55/60/98/375556098.db2.gz BGNPCULBCCDNOI-UHFFFAOYSA-N -1 3 253.710 3.359 20 0 CGADHM NC(=O)[C@@H]1CCC[C@@H](C(=O)Nc2ccc(Cl)cc2[O-])C1 ZINC000336043555 375643481 /nfs/dbraw/zinc/64/34/81/375643481.db2.gz LZHALRCZTFMWSM-RKDXNWHRSA-N -1 3 296.754 3.326 20 0 CGADHM CSc1ccccc1[N-]C(=O)c1nc(C)oc1C ZINC000336140828 375720155 /nfs/dbraw/zinc/72/01/55/375720155.db2.gz NCHAFDPLSZCAEF-UHFFFAOYSA-N -1 3 262.334 3.266 20 0 CGADHM CC(C)c1nnc([N-]C(=O)c2ccoc2Cl)s1 ZINC000192261451 375720869 /nfs/dbraw/zinc/72/08/69/375720869.db2.gz YOXYLRBOIXZZFA-UHFFFAOYSA-N -1 3 271.729 3.160 20 0 CGADHM CCc1ncc(C(=O)[N-]c2cc(F)cc(F)c2F)s1 ZINC000336122059 375702005 /nfs/dbraw/zinc/70/20/05/375702005.db2.gz YMJKMCXHGSPAKU-UHFFFAOYSA-N -1 3 286.278 3.375 20 0 CGADHM O=C([N-]c1c(F)cccc1F)c1ccoc1Cl ZINC000192393189 375743377 /nfs/dbraw/zinc/74/33/77/375743377.db2.gz HZUGPROLHOMQTO-UHFFFAOYSA-N -1 3 257.623 3.464 20 0 CGADHM COC(=O)c1ccc(F)c([N-]C(=O)c2ccoc2Cl)c1 ZINC000192394016 375744862 /nfs/dbraw/zinc/74/48/62/375744862.db2.gz BTBQRTFCEBJGRN-UHFFFAOYSA-N -1 3 297.669 3.111 20 0 CGADHM CCN(CCc1ccccc1)C(=O)c1cccc(C)c1[O-] ZINC000192455934 375752512 /nfs/dbraw/zinc/75/25/12/375752512.db2.gz FLGZITUFRARXGZ-UHFFFAOYSA-N -1 3 283.371 3.405 20 0 CGADHM CN(Cc1cccc(Cl)c1)C(=O)c1ccc(O)cc1[O-] ZINC000192468412 375753672 /nfs/dbraw/zinc/75/36/72/375753672.db2.gz HOHFGQPKBMCPRC-UHFFFAOYSA-N -1 3 291.734 3.023 20 0 CGADHM CCc1ccc([C@@H](C)N[C@H](C)c2nc(C)cc(=O)[n-]2)cc1 ZINC000192722058 375781811 /nfs/dbraw/zinc/78/18/11/375781811.db2.gz WKZHWLNIAMUEAS-CHWSQXEVSA-N -1 3 285.391 3.465 20 0 CGADHM O=C(Nc1cccc([O-])c1F)c1ncoc1-c1ccccc1 ZINC000129353324 542056406 /nfs/dbraw/zinc/05/64/06/542056406.db2.gz ZGWZYKKZBIBUGZ-UHFFFAOYSA-N -1 3 298.273 3.439 20 0 CGADHM CCS[C@@H]1CCCC[C@@H]1N[C@@H](C)c1nc(C)cc(=O)[n-]1 ZINC000192794226 375789537 /nfs/dbraw/zinc/78/95/37/375789537.db2.gz JERUKQSOVCXJKN-RWMBFGLXSA-N -1 3 295.452 3.206 20 0 CGADHM Cc1cnccc1NC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000193190093 375838347 /nfs/dbraw/zinc/83/83/47/375838347.db2.gz AFHDQBWUFJMMOI-UHFFFAOYSA-N -1 3 296.248 3.367 20 0 CGADHM C[C@@H]1[C@@H](C)CCN1C(=O)c1cc([O-])ccc1C(F)(F)F ZINC000193440950 375877234 /nfs/dbraw/zinc/87/72/34/375877234.db2.gz RUKQCJRAPMNQKO-DTWKUNHWSA-N -1 3 287.281 3.282 20 0 CGADHM CC1(CNC(=O)c2cc([O-])ccc2C(F)(F)F)CCC1 ZINC000193459729 375881641 /nfs/dbraw/zinc/88/16/41/375881641.db2.gz ADNPNXOVFAILCY-UHFFFAOYSA-N -1 3 287.281 3.331 20 0 CGADHM CC1(C)C[C@@H]1CN=c1[n-]cc(C(F)(F)F)s1 ZINC000336779945 375934012 /nfs/dbraw/zinc/93/40/12/375934012.db2.gz PWVMGNDDUXWSPN-ZCFIWIBFSA-N -1 3 250.289 3.042 20 0 CGADHM CC1(C)CCCC[C@@H]1C(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000193895651 375936994 /nfs/dbraw/zinc/93/69/94/375936994.db2.gz AZWJPJYEWLPPDS-LLVKDONJSA-N -1 3 299.378 3.022 20 0 CGADHM CC1(C)CCCC[C@@H]1C(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000193895651 375937000 /nfs/dbraw/zinc/93/70/00/375937000.db2.gz AZWJPJYEWLPPDS-LLVKDONJSA-N -1 3 299.378 3.022 20 0 CGADHM CC1(C)CCCC[C@@H]1C(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000193895651 375937006 /nfs/dbraw/zinc/93/70/06/375937006.db2.gz AZWJPJYEWLPPDS-LLVKDONJSA-N -1 3 299.378 3.022 20 0 CGADHM O=C([O-])[C@H]1C=C[C@@H](NCc2ccc(Cl)c(Cl)c2)C1 ZINC000336790531 375939501 /nfs/dbraw/zinc/93/95/01/375939501.db2.gz LNZQPGOBUPRIFD-VHSXEESVSA-N -1 3 286.158 3.112 20 0 CGADHM CCc1cccc(C(=O)N(C)[C@H](CC)CSC)c1[O-] ZINC000536923903 376143361 /nfs/dbraw/zinc/14/33/61/376143361.db2.gz DWKROFLHENQLAE-GFCCVEGCSA-N -1 3 281.421 3.168 20 0 CGADHM [O-]c1cc(F)cc(CN2CCCc3ccccc3C2)c1 ZINC000223767142 376263030 /nfs/dbraw/zinc/26/30/30/376263030.db2.gz VGZLIUAZQMLFHV-UHFFFAOYSA-N -1 3 271.335 3.480 20 0 CGADHM COc1ccc([O-])c(C(=O)NC(C)(C)c2cccs2)c1 ZINC000538743813 376267163 /nfs/dbraw/zinc/26/71/63/376267163.db2.gz NGBNWKLMIVUNBP-UHFFFAOYSA-N -1 3 291.372 3.127 20 0 CGADHM CS[C@@H]1CCC[C@H](NC(=O)c2ccc([O-])c(C)c2)C1 ZINC000226717839 376369506 /nfs/dbraw/zinc/36/95/06/376369506.db2.gz ZTINLEDSNAJDOP-QWHCGFSZSA-N -1 3 279.405 3.105 20 0 CGADHM CCOc1ccccc1NC(=O)c1ccc([O-])c(C)c1 ZINC000226953499 376377166 /nfs/dbraw/zinc/37/71/66/376377166.db2.gz TWAQHQSDRQMXDM-UHFFFAOYSA-N -1 3 271.316 3.352 20 0 CGADHM CCN(Cc1ccccc1)C(=O)c1ccc([O-])c(C)c1 ZINC000226953427 376377379 /nfs/dbraw/zinc/37/73/79/376377379.db2.gz FAVXIPHRTGFCSF-UHFFFAOYSA-N -1 3 269.344 3.363 20 0 CGADHM O=C([O-])[C@@H](NCc1cccc2cc[nH]c21)c1ccccc1 ZINC000229647242 376467322 /nfs/dbraw/zinc/46/73/22/376467322.db2.gz LKPQJAYZDGMLQH-INIZCTEOSA-N -1 3 280.327 3.083 20 0 CGADHM CCC1(CC)CCN(C(=O)c2c([O-])cccc2O)CC1 ZINC000230234839 376499112 /nfs/dbraw/zinc/49/91/12/376499112.db2.gz BBTOCUHPACUDGW-UHFFFAOYSA-N -1 3 277.364 3.140 20 0 CGADHM Cc1ccsc1CN(C)C(=O)c1ccc([O-])c(C)c1 ZINC000338749329 376513903 /nfs/dbraw/zinc/51/39/03/376513903.db2.gz LCKJLBIHQVOOAL-UHFFFAOYSA-N -1 3 275.373 3.343 20 0 CGADHM CC1(C)CCN(C(=O)c2cc([O-])ccc2Cl)CCS1 ZINC000231049418 376554212 /nfs/dbraw/zinc/55/42/12/376554212.db2.gz MSIAKXYDTSRZOI-UHFFFAOYSA-N -1 3 299.823 3.403 20 0 CGADHM CC(C)([N-]S(=O)(=O)c1sccc1F)c1ccccc1 ZINC000338873452 376555097 /nfs/dbraw/zinc/55/50/97/376555097.db2.gz JDLVSUALDUSRLW-UHFFFAOYSA-N -1 3 299.392 3.101 20 0 CGADHM CCCC(C)(C)NC(=O)c1cc([O-])ccc1Cl ZINC000232896969 376593192 /nfs/dbraw/zinc/59/31/92/376593192.db2.gz UFIBOQPQZWVZKC-UHFFFAOYSA-N -1 3 255.745 3.354 20 0 CGADHM C[C@H](C(=O)Nc1ccc(Cl)cc1[O-])N1CCCCCC1 ZINC000339007307 376626003 /nfs/dbraw/zinc/62/60/03/376626003.db2.gz OVEQDLIOJPYXFT-LLVKDONJSA-N -1 3 296.798 3.249 20 0 CGADHM C[C@@H]1[C@H](C)SCCN1C(=O)c1cc([O-])ccc1Cl ZINC000235373432 376640052 /nfs/dbraw/zinc/64/00/52/376640052.db2.gz SAJVYJFBGVQJPE-BDAKNGLRSA-N -1 3 285.796 3.012 20 0 CGADHM C[C@H](CCc1ccco1)NC(=O)c1cc([O-])ccc1Cl ZINC000235439946 376641374 /nfs/dbraw/zinc/64/13/74/376641374.db2.gz NYDKSGLGIVPYKP-SNVBAGLBSA-N -1 3 293.750 3.390 20 0 CGADHM O=C(NCCC1=CCCC1)c1cc([O-])ccc1Cl ZINC000236611066 376672314 /nfs/dbraw/zinc/67/23/14/376672314.db2.gz WDINRKQMHMLMNF-UHFFFAOYSA-N -1 3 265.740 3.276 20 0 CGADHM CCOc1ccc(C=Cc2nc(C)cc(=O)[n-]2)cc1OC ZINC000339115180 376690269 /nfs/dbraw/zinc/69/02/69/376690269.db2.gz BLKYERIVCMIGME-SOFGYWHQSA-N -1 3 286.331 3.068 20 0 CGADHM O=C(Nc1ccccc1[O-])c1cc(F)cc(Cl)c1 ZINC000340122612 376925953 /nfs/dbraw/zinc/92/59/53/376925953.db2.gz XYPOZNUGRPKXJR-UHFFFAOYSA-N -1 3 265.671 3.437 20 0 CGADHM COc1cc(C(=O)NC(C2CCC2)C2CCC2)ccc1[O-] ZINC000557708225 376952784 /nfs/dbraw/zinc/95/27/84/376952784.db2.gz DYCOPHMZKYQNLB-UHFFFAOYSA-N -1 3 289.375 3.099 20 0 CGADHM O=C(Nc1c([O-])cccc1Cl)c1cc(C2CC2)no1 ZINC000558472566 377012246 /nfs/dbraw/zinc/01/22/46/377012246.db2.gz IPOXNXURDIAOOQ-UHFFFAOYSA-N -1 3 278.695 3.163 20 0 CGADHM Cc1ccc(C(=O)Nc2cc(F)ccc2[O-])c(F)c1 ZINC000340330958 377007708 /nfs/dbraw/zinc/00/77/08/377007708.db2.gz WNACQXPZDOIAFI-UHFFFAOYSA-N -1 3 263.243 3.231 20 0 CGADHM CCOc1ccc(F)c([N-]C(=O)c2ccco2)c1F ZINC000340448699 377065837 /nfs/dbraw/zinc/06/58/37/377065837.db2.gz JBEHAONJHVGXFG-UHFFFAOYSA-N -1 3 267.231 3.209 20 0 CGADHM COc1cccc(C(=O)N2[C@H](C)C[C@@H]3CCCC[C@H]32)c1[O-] ZINC000246803461 377093146 /nfs/dbraw/zinc/09/31/46/377093146.db2.gz POCYXZIPRYUUKA-MBNYWOFBSA-N -1 3 289.375 3.194 20 0 CGADHM [O-]c1ccc(F)c(CNCCCc2cccs2)c1F ZINC000560491306 377159650 /nfs/dbraw/zinc/15/96/50/377159650.db2.gz RKFMJKUXWWKDDY-UHFFFAOYSA-N -1 3 283.343 3.454 20 0 CGADHM CCc1cc(C(=O)NCCCc2ccccc2)ccc1[O-] ZINC000561041739 377201530 /nfs/dbraw/zinc/20/15/30/377201530.db2.gz DXIMAFVMDNTNHY-UHFFFAOYSA-N -1 3 283.371 3.317 20 0 CGADHM C[C@@H]1C[C@H](C)N1Cc1cc([O-])cc(C(F)(F)F)c1 ZINC000562212081 377283875 /nfs/dbraw/zinc/28/38/75/377283875.db2.gz QUYJRVFOWFQLJY-DTORHVGOSA-N -1 3 259.271 3.394 20 0 CGADHM CC[C@@H](CC1CCCC1)c1nc(-c2cc(=O)[n-]cn2)no1 ZINC000563123123 377405494 /nfs/dbraw/zinc/40/54/94/377405494.db2.gz PQMJFVPUVHGSON-NSHDSACASA-N -1 3 288.351 3.306 20 0 CGADHM CO[C@H](c1noc(Cc2ccc([O-])cc2Cl)n1)C1CC1 ZINC000341255541 377467930 /nfs/dbraw/zinc/46/79/30/377467930.db2.gz FBENZIDXEYWKMR-ZDUSSCGKSA-N -1 3 294.738 3.117 20 0 CGADHM Cc1ccc([O-])c(C(=O)N[C@@H](C)CC(=O)c2ccccc2)c1 ZINC000092600018 249033948 /nfs/dbraw/zinc/03/39/48/249033948.db2.gz GRXVSFVAWFMMLA-ZDUSSCGKSA-N -1 3 297.354 3.092 20 0 CGADHM Cc1cccc(C(=O)NC2CCC(OC(C)C)CC2)c1[O-] ZINC000162866062 542166538 /nfs/dbraw/zinc/16/65/38/542166538.db2.gz BNJBFMRTWARKHN-UHFFFAOYSA-N -1 3 291.391 3.167 20 0 CGADHM COc1cccc(-c2nc(-c3cscc3C)no2)c1[O-] ZINC000094865105 249043474 /nfs/dbraw/zinc/04/34/74/249043474.db2.gz ROLKYGGZXMLXLR-UHFFFAOYSA-N -1 3 288.328 3.488 20 0 CGADHM Cc1ccc(C(=O)NCC(C)(C)c2cccs2)c([O-])c1 ZINC000083599906 249007147 /nfs/dbraw/zinc/00/71/47/249007147.db2.gz BCIZOBQTNZMSEK-UHFFFAOYSA-N -1 3 289.400 3.470 20 0 CGADHM C[C@@H](NCc1cc(Cl)sc1Cl)[C@@H](C)C(=O)[O-] ZINC000312671268 249081265 /nfs/dbraw/zinc/08/12/65/249081265.db2.gz SXVDQMWZPSBAJN-PHDIDXHHSA-N -1 3 282.192 3.254 20 0 CGADHM Cc1ccoc1C(=O)Nc1ccc(Br)cc1[O-] ZINC000515078378 249201353 /nfs/dbraw/zinc/20/13/53/249201353.db2.gz CKLASTAFKOTSAD-UHFFFAOYSA-N -1 3 296.120 3.308 20 0 CGADHM [O-]c1cccnc1CN[C@@H](c1ccccc1)C1CC1 ZINC000515093769 249202051 /nfs/dbraw/zinc/20/20/51/249202051.db2.gz RRBOECHRZWBFTQ-INIZCTEOSA-N -1 3 254.333 3.028 20 0 CGADHM CCC[C@H](CC)S(=O)(=O)[N-]c1cc(F)cc(F)c1 ZINC000516705849 249242561 /nfs/dbraw/zinc/24/25/61/249242561.db2.gz MBKSCIOZFVMURZ-LBPRGKRZSA-N -1 3 277.336 3.285 20 0 CGADHM CCC[C@@H]1CCCC[C@H]1CNC(=O)c1csc(=O)[n-]1 ZINC000515428515 249211018 /nfs/dbraw/zinc/21/10/18/249211018.db2.gz DFXYCTIOYIPTQS-MNOVXSKESA-N -1 3 282.409 3.185 20 0 CGADHM C[C@H](NCc1occc1C(=O)[O-])[C@@H](C)c1ccccc1 ZINC000517240740 249260892 /nfs/dbraw/zinc/26/08/92/249260892.db2.gz MLQLJFGMEUKHSQ-NEPJUHHUSA-N -1 3 273.332 3.260 20 0 CGADHM Cc1ccc(NC(=O)C[C@@H](C)n2cccc2)c([O-])c1 ZINC000519080246 249292391 /nfs/dbraw/zinc/29/23/91/249292391.db2.gz PBGINMCKWFGRKZ-GFCCVEGCSA-N -1 3 258.321 3.092 20 0 CGADHM Cc1cc([O-])c2nc(/C=C/c3cnccn3)ccc2c1 ZINC000574195775 377632949 /nfs/dbraw/zinc/63/29/49/377632949.db2.gz MQEHZCRMIFJIIN-SNAWJCMRSA-N -1 3 263.300 3.209 20 0 CGADHM Cc1cnccc1SCc1cc(=O)[n-]c(C2CC2)n1 ZINC000574857759 377717321 /nfs/dbraw/zinc/71/73/21/377717321.db2.gz FWJLJVPOQHJNBB-UHFFFAOYSA-N -1 3 273.361 3.055 20 0 CGADHM CC[C@H](F)CN(CCCC(=O)[O-])Cc1ccccc1 ZINC000575131103 377751145 /nfs/dbraw/zinc/75/11/45/377751145.db2.gz TYOUMZDBEFHQOS-AWEZNQCLSA-N -1 3 267.344 3.102 20 0 CGADHM O=C(/C=C\c1ccc(F)cc1)NCc1ccc([O-])c(F)c1 ZINC000255378515 377755175 /nfs/dbraw/zinc/75/51/75/377755175.db2.gz OPVVSKNMVPFLBW-YWEYNIOJSA-N -1 3 289.281 3.000 20 0 CGADHM Cc1nc2ccccc2c(N2C[C@@H](C)C[C@H](C(=O)[O-])C2)c1C ZINC000263100656 377919414 /nfs/dbraw/zinc/91/94/14/377919414.db2.gz CUWBRVOEVVYQBY-FZMZJTMJSA-N -1 3 298.386 3.399 20 0 CGADHM CCc1ccc2nccc(N3CCC[C@@H](C(=O)[O-])C3)c2c1 ZINC000263392720 377930999 /nfs/dbraw/zinc/93/09/99/377930999.db2.gz GUGQWBLUQLBMPB-CYBMUJFWSA-N -1 3 284.359 3.098 20 0 CGADHM CCc1cnccc1[C@H](C)NCc1ccc(C(=O)[O-])cc1 ZINC000263401006 377931986 /nfs/dbraw/zinc/93/19/86/377931986.db2.gz ICCRAUZHTXBPIN-LBPRGKRZSA-N -1 3 284.359 3.193 20 0 CGADHM CCc1ccc2nccc(N3CC[C@](C)(C(=O)[O-])C3)c2c1 ZINC000263430914 377935237 /nfs/dbraw/zinc/93/52/37/377935237.db2.gz SRNLWVZIDMPXNC-KRWDZBQOSA-N -1 3 284.359 3.098 20 0 CGADHM CC(C)C[C@@H](CNCc1ccc(Cl)cc1F)C(=O)[O-] ZINC000263463941 377939067 /nfs/dbraw/zinc/93/90/67/377939067.db2.gz FOFFMTPCTPIVTO-NSHDSACASA-N -1 3 287.762 3.316 20 0 CGADHM CC(C)C[C@@H](CNCc1ccc(F)cc1Cl)C(=O)[O-] ZINC000263454123 377939849 /nfs/dbraw/zinc/93/98/49/377939849.db2.gz BLTVSVNBEYJJNX-NSHDSACASA-N -1 3 287.762 3.316 20 0 CGADHM C[C@@H]1CC[C@@H](C(=O)[O-])CN1Cc1ccccc1Cl ZINC000263510726 377942663 /nfs/dbraw/zinc/94/26/63/377942663.db2.gz NGJBIYNKHRROOE-ZYHUDNBSSA-N -1 3 267.756 3.025 20 0 CGADHM CCCC[C@@H](NCc1ccc(OC)cc1Cl)C(=O)[O-] ZINC000262506560 377900862 /nfs/dbraw/zinc/90/08/62/377900862.db2.gz AKDVBPXWMCGBIA-CYBMUJFWSA-N -1 3 285.771 3.082 20 0 CGADHM C[C@@H]1C[C@H](C(=O)[O-])CN(C/C=C/c2ccc(F)c(F)c2)C1 ZINC000263022302 377913765 /nfs/dbraw/zinc/91/37/65/377913765.db2.gz FHEVWOBPNBNYQB-KTTDLOKESA-N -1 3 295.329 3.021 20 0 CGADHM CC(C)(C)OCCN1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000576053981 378010026 /nfs/dbraw/zinc/01/00/26/378010026.db2.gz IQBAXSZVUDGICK-GJZGRUSLSA-N -1 3 291.391 3.092 20 0 CGADHM CC[C@H](CC(=O)Nc1nnc(SC)[n-]1)c1ccccc1 ZINC000264168202 377959884 /nfs/dbraw/zinc/95/98/84/377959884.db2.gz VBXKVPLGLVXCAX-SNVBAGLBSA-N -1 3 290.392 3.049 20 0 CGADHM CC[C@H](CC(=O)Nc1nc(SC)n[n-]1)c1ccccc1 ZINC000264168202 377959888 /nfs/dbraw/zinc/95/98/88/377959888.db2.gz VBXKVPLGLVXCAX-SNVBAGLBSA-N -1 3 290.392 3.049 20 0 CGADHM CC[C@H](CC(=O)Nc1n[n-]c(SC)n1)c1ccccc1 ZINC000264168202 377959891 /nfs/dbraw/zinc/95/98/91/377959891.db2.gz VBXKVPLGLVXCAX-SNVBAGLBSA-N -1 3 290.392 3.049 20 0 CGADHM CC[C@@H](C)[C@H](C)N(C(=O)c1ccc(OC)cc1[O-])C1CC1 ZINC000264363555 377979631 /nfs/dbraw/zinc/97/96/31/377979631.db2.gz JLIKGUSEGLFUBS-NEPJUHHUSA-N -1 3 291.391 3.440 20 0 CGADHM C[C@H]1CC2(CCC2)CN1Cc1ccc(C(=O)[O-])c(F)c1 ZINC000578084260 378036199 /nfs/dbraw/zinc/03/61/99/378036199.db2.gz UKXGZWNZWRSYHQ-NSHDSACASA-N -1 3 277.339 3.288 20 0 CGADHM CC(C)(C)C(=O)CCCC(=O)Nc1cccc([O-])c1F ZINC000577933854 378023735 /nfs/dbraw/zinc/02/37/35/378023735.db2.gz GVKKHPNUSLJYSC-UHFFFAOYSA-N -1 3 281.327 3.255 20 0 CGADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H]3CCC3(C)C)nc2)n1 ZINC000343786524 378091716 /nfs/dbraw/zinc/09/17/16/378091716.db2.gz CDJKNHMYESSRLQ-ZDUSSCGKSA-N -1 3 298.390 3.407 20 0 CGADHM O=C(N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1)c1ccccc1 ZINC000343794937 378094857 /nfs/dbraw/zinc/09/48/57/378094857.db2.gz TUZJJOVQOZRXHK-UHFFFAOYSA-N -1 3 299.280 3.029 20 0 CGADHM Cc1ccc([C@@H](C)N(C)Cc2ccc(C(=O)[O-])o2)cc1 ZINC000579723184 378187964 /nfs/dbraw/zinc/18/79/64/378187964.db2.gz YJVUOQUUFPFNPQ-GFCCVEGCSA-N -1 3 273.332 3.479 20 0 CGADHM C[C@H](CN(Cc1ccc(F)cc1Cl)C1CC1)C(=O)[O-] ZINC000579603003 378175851 /nfs/dbraw/zinc/17/58/51/378175851.db2.gz ARGMDJJIPZPBQU-SECBINFHSA-N -1 3 285.746 3.164 20 0 CGADHM Cc1cccc(C)c1[C@H](C)NCc1ncccc1[O-] ZINC000579645958 378179713 /nfs/dbraw/zinc/17/97/13/378179713.db2.gz LCXUCAKEKWRWJI-ZDUSSCGKSA-N -1 3 256.349 3.255 20 0 CGADHM CC[C@@H]1CCCC[C@H]1OCC(=O)Nc1nc(C)ccc1[O-] ZINC000345399564 378276101 /nfs/dbraw/zinc/27/61/01/378276101.db2.gz ACSMJLHHPZONRL-TZMCWYRMSA-N -1 3 292.379 3.020 20 0 CGADHM Cc1noc(C)c1[C@@H](C)Cc1nc(-c2ccc([O-])cc2)no1 ZINC000269902249 378279138 /nfs/dbraw/zinc/27/91/38/378279138.db2.gz GYPXGBCSNXQGQK-VIFPVBQESA-N -1 3 299.330 3.393 20 0 CGADHM C[C@@H]1CN(Cc2ccc(F)cc2Cl)C[C@@]1(C)C(=O)[O-] ZINC000582068697 378283065 /nfs/dbraw/zinc/28/30/65/378283065.db2.gz ZKIORNMGDOMRNL-YMTOWFKASA-N -1 3 285.746 3.022 20 0 CGADHM COc1ccc(OCCSCc2ncccc2[O-])cc1 ZINC000584540834 378393538 /nfs/dbraw/zinc/39/35/38/378393538.db2.gz MDVPQDTWRRHTNL-UHFFFAOYSA-N -1 3 291.372 3.108 20 0 CGADHM Cc1ccc([O-])c(NC(=O)[C@@H](c2ccccc2)C(C)C)n1 ZINC000345922770 378409125 /nfs/dbraw/zinc/40/91/25/378409125.db2.gz GHHKMWAYGAVHTL-OAHLLOKOSA-N -1 3 284.359 3.474 20 0 CGADHM CC[C@@H]1CCC[C@H]1CNC(=O)c1c[n-]nc1-c1ccccn1 ZINC000584035110 378369119 /nfs/dbraw/zinc/36/91/19/378369119.db2.gz CJYMGFRJJJCUDZ-OLZOCXBDSA-N -1 3 298.390 3.028 20 0 CGADHM Cc1ccc([O-])c(NC(=O)[C@@H](C)OC2CCCCCC2)n1 ZINC000345940327 378415649 /nfs/dbraw/zinc/41/56/49/378415649.db2.gz MVAKJXARFCWDKM-GFCCVEGCSA-N -1 3 292.379 3.162 20 0 CGADHM COc1cc(O)cc(NC(=O)c2cc([O-])ccc2Cl)c1 ZINC000345955004 378421267 /nfs/dbraw/zinc/42/12/67/378421267.db2.gz BONFMOGLKNLYDR-UHFFFAOYSA-N -1 3 293.706 3.012 20 0 CGADHM O=C(Nc1cccc2c1OCO2)c1cc([O-])ccc1Cl ZINC000346221817 378509554 /nfs/dbraw/zinc/50/95/54/378509554.db2.gz NDPBOCOBDAXBAI-UHFFFAOYSA-N -1 3 291.690 3.027 20 0 CGADHM CCOc1nc2cc(C(=O)N(C)C[C@@H](C)CC)ccc2[n-]1 ZINC000346368890 378557758 /nfs/dbraw/zinc/55/77/58/378557758.db2.gz WIFYIWLYTCTKNH-NSHDSACASA-N -1 3 289.379 3.080 20 0 CGADHM CCOc1nc2ccc(C(=O)N(C)C[C@@H](C)CC)cc2[n-]1 ZINC000346368890 378557768 /nfs/dbraw/zinc/55/77/68/378557768.db2.gz WIFYIWLYTCTKNH-NSHDSACASA-N -1 3 289.379 3.080 20 0 CGADHM Cc1ccsc1CN(C)[C@H](C)c1nc(C)cc(=O)[n-]1 ZINC000346497865 378595693 /nfs/dbraw/zinc/59/56/93/378595693.db2.gz VCHFRKMFZCYYIG-LLVKDONJSA-N -1 3 277.393 3.054 20 0 CGADHM Cc1cc(C(=O)NC[C@H]2[C@@H]3c4ccccc4C[C@H]23)ccc1[O-] ZINC000272357882 378620715 /nfs/dbraw/zinc/62/07/15/378620715.db2.gz BBZWMAYHNPLQEB-JFIYKMOQSA-N -1 3 293.366 3.016 20 0 CGADHM Cc1cc(C(=O)NCC2(C3CC3)CCC2)ccc1[O-] ZINC000272581790 378670260 /nfs/dbraw/zinc/67/02/60/378670260.db2.gz FBOGXIGCNBOAQA-UHFFFAOYSA-N -1 3 259.349 3.011 20 0 CGADHM CS[C@@H]1CCCCN(C(=O)c2ccc([O-])c(C)c2)C1 ZINC000272720379 378693804 /nfs/dbraw/zinc/69/38/04/378693804.db2.gz ZHIWPZPJOGZGRO-CYBMUJFWSA-N -1 3 279.405 3.058 20 0 CGADHM CC[C@H]1[C@H](C)CCN1C(=O)c1cc([O-])ccc1Cl ZINC000347238104 378710828 /nfs/dbraw/zinc/71/08/28/378710828.db2.gz XNSUUQWQUCWORQ-RNCFNFMXSA-N -1 3 267.756 3.306 20 0 CGADHM CC[C@@H](NCc1cnc(C)[n-]c1=O)c1cc(F)ccc1F ZINC000346810598 218023140 /nfs/dbraw/zinc/02/31/40/218023140.db2.gz SAJKABQXLZYYLA-CQSZACIVSA-N -1 3 293.317 3.010 20 0 CGADHM COc1ccc2ccccc2c1CNCc1ncccc1[O-] ZINC000348146943 378813677 /nfs/dbraw/zinc/81/36/77/378813677.db2.gz WCNDDJWWAJRPEI-UHFFFAOYSA-N -1 3 294.354 3.239 20 0 CGADHM O=C([O-])CCCCCNCc1cc(Cl)ccc1F ZINC000276941274 379027166 /nfs/dbraw/zinc/02/71/66/379027166.db2.gz CRJHSRHUAJPTLK-UHFFFAOYSA-N -1 3 273.735 3.214 20 0 CGADHM O=C(NCc1ncccc1[O-])Nc1cccc(C(F)F)c1 ZINC000348782089 379055484 /nfs/dbraw/zinc/05/54/84/379055484.db2.gz OPAIRZDSFBBVEA-UHFFFAOYSA-N -1 3 293.273 3.047 20 0 CGADHM CC[C@@H]1CCC[C@@H](CNCc2cc(C(=O)[O-])co2)C1 ZINC000277029015 379047786 /nfs/dbraw/zinc/04/77/86/379047786.db2.gz PMFFBLNHXVZJJL-VXGBXAGGSA-N -1 3 265.353 3.284 20 0 CGADHM O=C([O-])CCCCCNCc1ccc(Cl)cc1F ZINC000277107269 379069533 /nfs/dbraw/zinc/06/95/33/379069533.db2.gz ZTHMGVFQZWSXDC-UHFFFAOYSA-N -1 3 273.735 3.214 20 0 CGADHM CC[C@@H](C)C[C@H](C)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000266373473 190252745 /nfs/dbraw/zinc/25/27/45/190252745.db2.gz RXPHSCDCQCZQMC-NEPJUHHUSA-N -1 3 286.375 3.495 20 0 CGADHM CC[C@H](C)N(Cc1ccccc1)C(=O)c1csc(=O)[n-]1 ZINC000348907322 379108755 /nfs/dbraw/zinc/10/87/55/379108755.db2.gz CVGVFRJRWUISIM-NSHDSACASA-N -1 3 290.388 3.290 20 0 CGADHM Cc1ccc(C(=O)N2CC[C@@H](CC(F)(F)F)C2)c([O-])c1 ZINC000277463465 379164335 /nfs/dbraw/zinc/16/43/35/379164335.db2.gz PFUXLKHNKOSLBQ-JTQLQIEISA-N -1 3 287.281 3.115 20 0 CGADHM Cc1ccc(NC(=O)CCc2ccc(N(C)C)cc2)c([O-])c1 ZINC000277413772 379153427 /nfs/dbraw/zinc/15/34/27/379153427.db2.gz LWCCILUJNUHMCP-UHFFFAOYSA-N -1 3 298.386 3.338 20 0 CGADHM Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2[O-])ccn1C ZINC000192561245 542266975 /nfs/dbraw/zinc/26/69/75/542266975.db2.gz BNSCHNUCPKESIY-UHFFFAOYSA-N -1 3 298.264 3.310 20 0 CGADHM CC(C)Oc1ccc(NCc2cc([O-])cc(F)c2)cn1 ZINC000349613533 379319669 /nfs/dbraw/zinc/31/96/69/379319669.db2.gz RZWRFAMCJNRTSL-UHFFFAOYSA-N -1 3 276.311 3.326 20 0 CGADHM [O-]c1cc(F)cc(CN[C@@H]2COc3ccc(Cl)cc32)c1 ZINC000349616793 379321339 /nfs/dbraw/zinc/32/13/39/379321339.db2.gz WYLXEXPIMDHICI-CQSZACIVSA-N -1 3 293.725 3.408 20 0 CGADHM C[C@@H]1CC[C@H](NC(=O)c2cc(=O)c3ccccc3[n-]2)C[C@@H]1C ZINC000349581264 379311640 /nfs/dbraw/zinc/31/16/40/379311640.db2.gz DJPABOYJHMTJMU-AGIUHOORSA-N -1 3 298.386 3.083 20 0 CGADHM Cc1nc(Cl)ccc1NC([O-])=NOCCC(F)(F)F ZINC000278983965 194241259 /nfs/dbraw/zinc/24/12/59/194241259.db2.gz QGUMPURVEAYDFX-UHFFFAOYSA-N -1 3 297.664 3.049 20 0 CGADHM Cc1nc(Cl)ccc1NC(=O)[N-]OCCC(F)(F)F ZINC000278983965 194241262 /nfs/dbraw/zinc/24/12/62/194241262.db2.gz QGUMPURVEAYDFX-UHFFFAOYSA-N -1 3 297.664 3.049 20 0 CGADHM CCOc1cc(-c2noc(C(C)(C)F)n2)ccc1[O-] ZINC000350790239 379583374 /nfs/dbraw/zinc/58/33/74/379583374.db2.gz DUOYIUMISSGBHE-UHFFFAOYSA-N -1 3 266.272 3.046 20 0 CGADHM CC[C@H](OC)C(=O)Nc1cc(Cc2ccccc2)ccc1[O-] ZINC000267248589 190314740 /nfs/dbraw/zinc/31/47/40/190314740.db2.gz UJGWMVYVBHRCNL-KRWDZBQOSA-N -1 3 299.370 3.347 20 0 CGADHM CC[C@H]1CCCC[C@H]1C(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000280486238 379716507 /nfs/dbraw/zinc/71/65/07/379716507.db2.gz FAQXFCXAZCVWLM-NWDGAFQWSA-N -1 3 299.378 3.022 20 0 CGADHM CC[C@H]1CCCC[C@H]1C(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000280486238 379716513 /nfs/dbraw/zinc/71/65/13/379716513.db2.gz FAQXFCXAZCVWLM-NWDGAFQWSA-N -1 3 299.378 3.022 20 0 CGADHM CC[C@H]1CCCC[C@H]1C(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000280486238 379716520 /nfs/dbraw/zinc/71/65/20/379716520.db2.gz FAQXFCXAZCVWLM-NWDGAFQWSA-N -1 3 299.378 3.022 20 0 CGADHM COCc1cccc(NCc2c(F)ccc([O-])c2F)c1 ZINC000351818164 379744374 /nfs/dbraw/zinc/74/43/74/379744374.db2.gz FDCPXVBIFYMLHU-UHFFFAOYSA-N -1 3 279.286 3.429 20 0 CGADHM CC[C@H](CC(=O)NCc1ncccc1[O-])c1ccc(C)cc1 ZINC000352516750 379842060 /nfs/dbraw/zinc/84/20/60/379842060.db2.gz MOVODSSOKFIKSZ-CQSZACIVSA-N -1 3 298.386 3.296 20 0 CGADHM C[C@@H]1CCC[C@H](C)N1CCNCc1c(F)ccc([O-])c1F ZINC000352467456 379827249 /nfs/dbraw/zinc/82/72/49/379827249.db2.gz KSLBWIZMJKUJCL-TXEJJXNPSA-N -1 3 298.377 3.023 20 0 CGADHM COC(=O)c1cc(C)ccc1NC(=O)c1ccc([O-])c(C)c1 ZINC000389145937 379894095 /nfs/dbraw/zinc/89/40/95/379894095.db2.gz IGMIOGVDQYRFBF-UHFFFAOYSA-N -1 3 299.326 3.048 20 0 CGADHM CC[C@H](CNC(=O)c1cccc(C)c1[O-])CC(F)(F)F ZINC000402496010 379966402 /nfs/dbraw/zinc/96/64/02/379966402.db2.gz YBFAWBRCDHBHDV-JTQLQIEISA-N -1 3 289.297 3.409 20 0 CGADHM Cc1ccc(NC(=O)[C@H]2CCCC(F)(F)C2)c([O-])c1 ZINC000282746744 379981323 /nfs/dbraw/zinc/98/13/23/379981323.db2.gz SDLYZQUBYJIRCK-JTQLQIEISA-N -1 3 269.291 3.465 20 0 CGADHM Cc1cc(OCc2ccccc2)cc2occ([O-])c21 ZINC000642609950 380181137 /nfs/dbraw/zinc/18/11/37/380181137.db2.gz HHJNXJMKQWPOIK-UHFFFAOYSA-N -1 3 254.285 3.149 20 0 CGADHM CC[C@H]1CCC[C@@H]1NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000268381716 190398244 /nfs/dbraw/zinc/39/82/44/190398244.db2.gz OCHJUBCARVOONU-AAEUAGOBSA-N -1 3 284.359 3.249 20 0 CGADHM CCOc1nc2ccc(-c3nc(C4CCC4)no3)cc2[n-]1 ZINC000643102378 380212615 /nfs/dbraw/zinc/21/26/15/380212615.db2.gz ATWXVFNMCSHDMU-UHFFFAOYSA-N -1 3 284.319 3.279 20 0 CGADHM CC(C)C[C@H](N)c1noc(Cc2ccc([O-])cc2Cl)n1 ZINC000414621185 380339569 /nfs/dbraw/zinc/33/95/69/380339569.db2.gz RDDNZKHZZWMSOH-LBPRGKRZSA-N -1 3 295.770 3.065 20 0 CGADHM CSCCCNC(=O)c1cc([O-])c2ccccc2c1 ZINC000354364930 380414658 /nfs/dbraw/zinc/41/46/58/380414658.db2.gz ATLYKZRDYMLDEV-UHFFFAOYSA-N -1 3 275.373 3.028 20 0 CGADHM C[C@@H](NCc1cc(C(F)(F)F)ccc1F)[C@H](C)C(=O)[O-] ZINC000417606652 380648189 /nfs/dbraw/zinc/64/81/89/380648189.db2.gz FSXFWJWZZWGAKH-JGVFFNPUSA-N -1 3 293.260 3.043 20 0 CGADHM O=C([O-])[C@H]1CCCCCC[C@H]1NCc1ccc(Cl)o1 ZINC000417559031 380638667 /nfs/dbraw/zinc/63/86/67/380638667.db2.gz HDQSUEDJEQLKEQ-NWDGAFQWSA-N -1 3 285.771 3.446 20 0 CGADHM C[C@H]1CC[C@@](CNCc2ccc(Cl)o2)(CC(=O)[O-])C1 ZINC000417563560 380640123 /nfs/dbraw/zinc/64/01/23/380640123.db2.gz JZYQFVVCNYHQSW-HZMBPMFUSA-N -1 3 285.771 3.304 20 0 CGADHM CC[C@](C)(CNCc1c(F)cc(C)cc1Cl)C(=O)[O-] ZINC000417566993 380640395 /nfs/dbraw/zinc/64/03/95/380640395.db2.gz OAHNFGLSAHJSSR-CQSZACIVSA-N -1 3 287.762 3.378 20 0 CGADHM CCC1(O)CCC(NCc2cccc([O-])c2Cl)CC1 ZINC000645171364 380603095 /nfs/dbraw/zinc/60/30/95/380603095.db2.gz SRCLSBPDMGHMKM-UHFFFAOYSA-N -1 3 283.799 3.219 20 0 CGADHM CO[C@@H]1[C@H](C)[C@H](NCc2cccc([O-])c2Cl)C1(C)C ZINC000645171474 380603182 /nfs/dbraw/zinc/60/31/82/380603182.db2.gz KGXMKKNIOAGEEG-BIGNPOOSSA-N -1 3 283.799 3.195 20 0 CGADHM Cc1cc(F)c(CN[C@@H](CC2CC2)C(=O)[O-])c(Cl)c1 ZINC000417594863 380647063 /nfs/dbraw/zinc/64/70/63/380647063.db2.gz BADIGACXYZVHCR-ZDUSSCGKSA-N -1 3 285.746 3.130 20 0 CGADHM CC1(C)CN(C(=O)c2cc([O-])ccc2Cl)C(C)(C)CO1 ZINC000645459589 380684073 /nfs/dbraw/zinc/68/40/73/380684073.db2.gz GJKNAFQHGJCLHB-UHFFFAOYSA-N -1 3 297.782 3.075 20 0 CGADHM Cc1cccc2cc(S(=O)(=O)[N-]C3CC=CC3)sc21 ZINC000645602239 380706020 /nfs/dbraw/zinc/70/60/20/380706020.db2.gz IFBMTYMHOXDVON-UHFFFAOYSA-N -1 3 293.413 3.207 20 0 CGADHM C[C@@H](CCC(=O)[O-])NCc1cc(C(F)(F)F)ccc1F ZINC000417610389 380650242 /nfs/dbraw/zinc/65/02/42/380650242.db2.gz MDCVJPYTIXGWOV-QMMMGPOBSA-N -1 3 293.260 3.187 20 0 CGADHM Cc1cc(F)c(CN[C@@H](C)CCC(=O)[O-])c(Cl)c1 ZINC000417630674 380658341 /nfs/dbraw/zinc/65/83/41/380658341.db2.gz UUABWORXANLKLQ-VIFPVBQESA-N -1 3 273.735 3.130 20 0 CGADHM Cc1ccc(F)cc1OCc1cc(=O)[n-]c(C2CC2)n1 ZINC000418958646 380752564 /nfs/dbraw/zinc/75/25/64/380752564.db2.gz YBLSYGDZOMTHGN-UHFFFAOYSA-N -1 3 274.295 3.086 20 0 CGADHM O=C([O-])N1CCCC[C@H](NCc2ccc(Cl)s2)C1 ZINC000740519386 572444251 /nfs/dbraw/zinc/44/42/51/572444251.db2.gz NQBVKKBFXDFCAU-VIFPVBQESA-N -1 3 288.800 3.024 20 0 CGADHM Cc1cccc([O-])c1NC(=O)c1cnn(-c2ccccc2)c1 ZINC000357099453 381028986 /nfs/dbraw/zinc/02/89/86/381028986.db2.gz HPELTLOTBAEAOK-UHFFFAOYSA-N -1 3 293.326 3.139 20 0 CGADHM O=C(N[C@H]1CCCc2ccc(F)cc21)c1cccc([O-])c1 ZINC000357420391 381152269 /nfs/dbraw/zinc/15/22/69/381152269.db2.gz GNFUVPHZCLYXKW-INIZCTEOSA-N -1 3 285.318 3.339 20 0 CGADHM COC[C@@H](C)[C@H](C)C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000360260356 381500521 /nfs/dbraw/zinc/50/05/21/381500521.db2.gz FUUJKFWWODQZCH-ZJUUUORDSA-N -1 3 285.771 3.211 20 0 CGADHM CCN(CCC1CC1)C(=O)c1c[n-]c2c(C)cccc2c1=O ZINC000361629817 381847032 /nfs/dbraw/zinc/84/70/32/381847032.db2.gz LLUFUXOHGLWGKV-UHFFFAOYSA-N -1 3 298.386 3.099 20 0 CGADHM [O-]c1cccc(CN2CCC[C@H]([C@H]3CCOC3)C2)c1Cl ZINC000334931482 207312077 /nfs/dbraw/zinc/31/20/77/207312077.db2.gz YUFMTTIOPJFSMK-JSGCOSHPSA-N -1 3 295.810 3.294 20 0 CGADHM COC(C)(C)CCSCc1cc(=O)[n-]c(C2CC2)n1 ZINC000419458584 532952998 /nfs/dbraw/zinc/95/29/98/532952998.db2.gz BSMSDMDSCNRHGM-UHFFFAOYSA-N -1 3 282.409 3.108 20 0 CGADHM [O-]c1ccc(-c2noc([C@@H]3CCC[C@H](F)C3)n2)cc1 ZINC000335279150 208088038 /nfs/dbraw/zinc/08/80/38/208088038.db2.gz YAKMJGNTFZHYQD-MNOVXSKESA-N -1 3 262.284 3.438 20 0 CGADHM CN(C[C@@H]1CCCOC1)C(=O)c1cc([O-])c2ccccc2c1 ZINC000281064030 542382744 /nfs/dbraw/zinc/38/27/44/542382744.db2.gz ZGXKMZPHACWUCZ-ZDUSSCGKSA-N -1 3 299.370 3.044 20 0 CGADHM Cc1cc(C(=O)N(C)CCCOc2ccccc2)ccc1[O-] ZINC000353869848 220380269 /nfs/dbraw/zinc/38/02/69/220380269.db2.gz JXBNVTIOYCATBH-UHFFFAOYSA-N -1 3 299.370 3.242 20 0 CGADHM C[C@@H]([N-]C(=O)C(C)(F)F)c1ccc(F)cc1Cl ZINC000289228408 197269683 /nfs/dbraw/zinc/26/96/83/197269683.db2.gz NPZZQQZJNWXJMU-ZCFIWIBFSA-N -1 3 265.662 3.312 20 0 CGADHM Cc1cc(C(=O)Nc2cccc3[nH]ccc32)ccc1[O-] ZINC000353883729 220386672 /nfs/dbraw/zinc/38/66/72/220386672.db2.gz WTTXEXGFPJPJIG-UHFFFAOYSA-N -1 3 266.300 3.434 20 0 CGADHM COC1(CNC(=O)c2cc([O-])c3ccccc3c2)CCCC1 ZINC000295448073 542406381 /nfs/dbraw/zinc/40/63/81/542406381.db2.gz WISGTLDQLKZBAD-UHFFFAOYSA-N -1 3 299.370 3.234 20 0 CGADHM CC(C)(C)C[C@H]1CCN(C(=O)c2cccc([O-])c2)C1 ZINC000307769465 542422397 /nfs/dbraw/zinc/42/23/97/542422397.db2.gz DGXMHNRIRJMEHX-GFCCVEGCSA-N -1 3 261.365 3.291 20 0 CGADHM COc1ccc(-c2nc(-c3ccc([O-])cc3)no2)c(C)c1 ZINC000436532999 533189990 /nfs/dbraw/zinc/18/99/90/533189990.db2.gz LCXTYUBWPRPEAS-UHFFFAOYSA-N -1 3 282.299 3.426 20 0 CGADHM CN(Cc1cccn1C)C(=O)c1cc([O-])c2ccccc2c1 ZINC000355036275 542564907 /nfs/dbraw/zinc/56/49/07/542564907.db2.gz OACRGYYKITZBCI-UHFFFAOYSA-N -1 3 294.354 3.156 20 0 CGADHM CO[C@H]1C[C@H](NC(=O)c2cc([O-])c3ccccc3c2)C1(C)C ZINC000354818873 542564886 /nfs/dbraw/zinc/56/48/86/542564886.db2.gz KBJDUBAIPRUVIO-HOTGVXAUSA-N -1 3 299.370 3.089 20 0 CGADHM COc1ccc(C(=O)N2CCC[C@@H]2CCC(C)C)c([O-])c1 ZINC000436606307 533298046 /nfs/dbraw/zinc/29/80/46/533298046.db2.gz QLAMPFVRFWOLNW-CYBMUJFWSA-N -1 3 291.391 3.442 20 0 CGADHM COc1ccc(C(=O)N2Cc3ccccc3[C@@H]2C)c([O-])c1 ZINC000436591703 533318535 /nfs/dbraw/zinc/31/85/35/533318535.db2.gz XTAMQIRWEATMPO-NSHDSACASA-N -1 3 283.327 3.118 20 0 CGADHM COc1ccc2c(c1NC(=O)c1ccc(C)cc1[O-])CCC2 ZINC000436542401 533319281 /nfs/dbraw/zinc/31/92/81/533319281.db2.gz BLEIPRKYOJMZPL-UHFFFAOYSA-N -1 3 297.354 3.450 20 0 CGADHM COc1cccc(C(=O)NC[C@H](C)c2ccc(C)cc2)c1[O-] ZINC000303732425 533409734 /nfs/dbraw/zinc/40/97/34/533409734.db2.gz FDXJRLWFVHMRKB-ZDUSSCGKSA-N -1 3 299.370 3.243 20 0 CGADHM COc1cccc(C(=O)N[C@H]2c3ccccc3C[C@@H]2C)c1[O-] ZINC000436836354 533418792 /nfs/dbraw/zinc/41/87/92/533418792.db2.gz DBJYGVFAGIRXHR-MEDUHNTESA-N -1 3 297.354 3.064 20 0 CGADHM CSCCCCNC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436529386 533556894 /nfs/dbraw/zinc/55/68/94/533556894.db2.gz NZHJBYHHKRLDKI-UHFFFAOYSA-N -1 3 293.432 3.144 20 0 CGADHM Cc1ccc(C(=O)Nc2ccc3[nH]cnc3c2)c([O-])c1C ZINC000436536978 533611098 /nfs/dbraw/zinc/61/10/98/533611098.db2.gz WVQOZGHBBVIROK-UHFFFAOYSA-N -1 3 281.315 3.138 20 0 CGADHM CCC[C@@H]1C[C@H]1C(=O)N=c1cc(-c2ccccc2C)[n-][nH]1 ZINC000462020529 535475953 /nfs/dbraw/zinc/47/59/53/535475953.db2.gz NGICYOSFFLZIQB-TZMCWYRMSA-N -1 3 283.375 3.182 20 0 CGADHM Cc1ccc(C(=O)NCc2cccc(F)c2)c([O-])c1C ZINC000048566323 392003186 /nfs/dbraw/zinc/00/31/86/392003186.db2.gz LOGYJWNJDMVDCK-UHFFFAOYSA-N -1 3 273.307 3.078 20 0 CGADHM CC[C@@H](C[N-]S(=O)(=O)c1cccs1)c1ccccc1 ZINC000022279520 391944405 /nfs/dbraw/zinc/94/44/05/391944405.db2.gz CPDXEOWJHSYTDA-LBPRGKRZSA-N -1 3 295.429 3.220 20 0 CGADHM Cc1ccc(NC(=O)c2cc(C)ccc2F)c([O-])c1 ZINC000052984251 392081988 /nfs/dbraw/zinc/08/19/88/392081988.db2.gz DMLHRSNHXSIJFP-UHFFFAOYSA-N -1 3 259.280 3.400 20 0 CGADHM COc1ccc([O-])c(C(=O)Nc2ccc(F)c(Cl)c2)c1 ZINC000050279555 392063626 /nfs/dbraw/zinc/06/36/26/392063626.db2.gz AXXALTWWLCADEQ-UHFFFAOYSA-N -1 3 295.697 3.446 20 0 CGADHM Cc1ccc(C(=O)N2CCCc3cccc([O-])c32)cc1 ZINC000063063749 392134509 /nfs/dbraw/zinc/13/45/09/392134509.db2.gz XMVFFLNAOFJJGM-UHFFFAOYSA-N -1 3 267.328 3.294 20 0 CGADHM COc1ccc(NC(=O)[C@@H]2CCCc3ccccc32)c([O-])c1 ZINC000443561984 542666655 /nfs/dbraw/zinc/66/66/55/542666655.db2.gz UYBVUMRDOYMLFK-OAHLLOKOSA-N -1 3 297.354 3.459 20 0 CGADHM COc1ccc(NC(=O)c2cccc(Cl)c2F)c([O-])c1 ZINC000443565217 542666743 /nfs/dbraw/zinc/66/67/43/542666743.db2.gz FZDFSBIGLKUWST-UHFFFAOYSA-N -1 3 295.697 3.446 20 0 CGADHM COc1ccc(NC(=O)C[C@H](C)CC(C)C)c([O-])c1 ZINC000443558250 542667167 /nfs/dbraw/zinc/66/71/67/542667167.db2.gz LIZMXJXBQSQHRU-LLVKDONJSA-N -1 3 265.353 3.412 20 0 CGADHM CC[C@H](C)CC(=O)Nc1nnc(-c2c(F)cccc2F)[n-]1 ZINC000361950160 392373469 /nfs/dbraw/zinc/37/34/69/392373469.db2.gz ATYBSLWOGKYCTQ-QMMMGPOBSA-N -1 3 294.305 3.125 20 0 CGADHM CC[C@H](C)CC(=O)Nc1nc(-c2c(F)cccc2F)n[n-]1 ZINC000361950160 392373473 /nfs/dbraw/zinc/37/34/73/392373473.db2.gz ATYBSLWOGKYCTQ-QMMMGPOBSA-N -1 3 294.305 3.125 20 0 CGADHM CC[C@H](C)CC(=O)Nc1n[n-]c(-c2c(F)cccc2F)n1 ZINC000361950160 392373480 /nfs/dbraw/zinc/37/34/80/392373480.db2.gz ATYBSLWOGKYCTQ-QMMMGPOBSA-N -1 3 294.305 3.125 20 0 CGADHM CC[C@H](C)[C@H](NCc1ccc(F)cc1Cl)C(=O)[O-] ZINC000262683286 131250253 /nfs/dbraw/zinc/25/02/53/131250253.db2.gz CDVCSLMLWANPSU-UFBFGSQYSA-N -1 3 273.735 3.068 20 0 CGADHM C[C@@H](CC(=O)[N-]OC/C=C/Cl)c1c[nH]c2ccccc21 ZINC000291813319 392486259 /nfs/dbraw/zinc/48/62/59/392486259.db2.gz LWVRMBSXMGTSAN-ZPMKCOPCSA-N -1 3 292.766 3.462 20 0 CGADHM O=C([N-]OCC1CC1)Nc1ccc(SC(F)F)cc1 ZINC000292818076 392512519 /nfs/dbraw/zinc/51/25/19/392512519.db2.gz OPSXGFYWYSJGCJ-UHFFFAOYSA-N -1 3 288.319 3.464 20 0 CGADHM C[C@H]1CCN(Cc2cccc([O-])c2Br)[C@H]1C ZINC000315757070 392669599 /nfs/dbraw/zinc/66/95/99/392669599.db2.gz HMOXPGYZOHXEDP-UWVGGRQHSA-N -1 3 284.197 3.385 20 0 CGADHM CC[C@H](CC(F)F)C(=O)Nc1cc(F)ccc1[O-] ZINC000457668244 392726988 /nfs/dbraw/zinc/72/69/88/392726988.db2.gz LUYHNWCKGSBKCO-SSDOTTSWSA-N -1 3 261.243 3.151 20 0 CGADHM CC1(C(=O)[O-])CCN(C/C=C/c2ccc(F)cc2F)CC1 ZINC000647464230 392727547 /nfs/dbraw/zinc/72/75/47/392727547.db2.gz CUGPCCZMSNOJNB-NSCUHMNNSA-N -1 3 295.329 3.165 20 0 CGADHM CCCOc1ccc(-c2nc3ccc(O)cc3c(=O)[n-]2)cc1 ZINC000484947698 542708230 /nfs/dbraw/zinc/70/82/30/542708230.db2.gz QHXRIHOEUPLNTG-UHFFFAOYSA-N -1 3 296.326 3.085 20 0 CGADHM Cc1ccc(C(=O)Nc2ccccc2[O-])c(C(C)C)n1 ZINC000336237952 392844514 /nfs/dbraw/zinc/84/45/14/392844514.db2.gz FSQXLUGUFKZWSG-UHFFFAOYSA-N -1 3 270.332 3.471 20 0 CGADHM Cc1cc(F)c(CN[C@H]2CCC[C@H](C(=O)[O-])C2)c(F)c1 ZINC000647649073 392777652 /nfs/dbraw/zinc/77/76/52/392777652.db2.gz PNNNEOGRDIIGSY-QWRGUYRKSA-N -1 3 283.318 3.006 20 0 CGADHM Cc1ccc([O-])c(C(=O)N[C@@H](C)CCCc2cccnc2)c1 ZINC000457906784 392796819 /nfs/dbraw/zinc/79/68/19/392796819.db2.gz JSYZQNWKYWXJHS-AWEZNQCLSA-N -1 3 298.386 3.237 20 0 CGADHM O=C(CC1CCCCC1)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000647799050 392801859 /nfs/dbraw/zinc/80/18/59/392801859.db2.gz TZFWILIRSSUVTE-UHFFFAOYSA-N -1 3 273.336 3.177 20 0 CGADHM Cc1cc(C(=O)N[C@@H](C)CCCc2cccnc2)ccc1[O-] ZINC000457955717 392803998 /nfs/dbraw/zinc/80/39/98/392803998.db2.gz XYKXWKSBXIWVDS-AWEZNQCLSA-N -1 3 298.386 3.237 20 0 CGADHM CCn1cc(C(=O)Nc2ncccc2[O-])c2ccccc21 ZINC000192735801 392858983 /nfs/dbraw/zinc/85/89/83/392858983.db2.gz JEPIYICUWSIDRK-UHFFFAOYSA-N -1 3 281.315 3.014 20 0 CGADHM COc1cc(NC(=O)c2cccc([O-])c2)ccc1Cl ZINC000194898996 392945750 /nfs/dbraw/zinc/94/57/50/392945750.db2.gz BNOCNLJOHYMKLO-UHFFFAOYSA-N -1 3 277.707 3.307 20 0 CGADHM C[C@@H]1CCC[C@H]1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000504332287 542726485 /nfs/dbraw/zinc/72/64/85/542726485.db2.gz PWEJYSPYJPSUHI-IAQYHMDHSA-N -1 3 269.344 3.464 20 0 CGADHM O=C(NC1(C2CC2)CC1)c1cc([O-])c2ccccc2c1 ZINC000525925406 542740584 /nfs/dbraw/zinc/74/05/84/542740584.db2.gz UZRFJPVEUFAWKJ-UHFFFAOYSA-N -1 3 267.328 3.218 20 0 CGADHM C[C@@H]1C[C@H](C)N(C(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000527466495 542742542 /nfs/dbraw/zinc/74/25/42/542742542.db2.gz PMYUPNZBUSAMCB-NEPJUHHUSA-N -1 3 269.344 3.416 20 0 CGADHM Cc1ccc(-c2noc(-c3ccc(C)cc3[O-])n2)o1 ZINC000515286231 542735330 /nfs/dbraw/zinc/73/53/30/542735330.db2.gz XDLOTZYTCHVCBK-UHFFFAOYSA-N -1 3 256.261 3.319 20 0 CGADHM CCOc1cc(F)ccc1NC(=O)c1cc(C)ccc1[O-] ZINC000195644194 392973144 /nfs/dbraw/zinc/97/31/44/392973144.db2.gz SUCTZLLKTJSQQF-UHFFFAOYSA-N -1 3 289.306 3.491 20 0 CGADHM CC[C@@H]1C[C@@H](C)CN1C(=O)c1c[n-]c2c(C)cccc2c1=O ZINC000408348781 392971931 /nfs/dbraw/zinc/97/19/31/392971931.db2.gz KGXMEQVSTQIEEY-DGCLKSJQSA-N -1 3 298.386 3.097 20 0 CGADHM COc1ccc(NC(=O)CC(C)(C)C2CC2)c([O-])c1 ZINC000349208653 393140581 /nfs/dbraw/zinc/14/05/81/393140581.db2.gz NXWDJTSIEHTFMJ-UHFFFAOYSA-N -1 3 263.337 3.166 20 0 CGADHM Cc1cccc(C(=O)N2CC[C@H](c3ccc(F)cc3)C2)c1[O-] ZINC000268109351 393194758 /nfs/dbraw/zinc/19/47/58/393194758.db2.gz YYMBBVLQVULTDY-AWEZNQCLSA-N -1 3 299.345 3.469 20 0 CGADHM CC[C@H](NC(=O)Cc1ccc([O-])c(F)c1)[C@@H]1CC1(C)C ZINC000416276706 393289761 /nfs/dbraw/zinc/28/97/61/393289761.db2.gz NHTNBDIZIUFIKM-AAEUAGOBSA-N -1 3 279.355 3.015 20 0 CGADHM CN(CC(=O)Nc1c([O-])cccc1Cl)c1ccccc1 ZINC000646489722 393292406 /nfs/dbraw/zinc/29/24/06/393292406.db2.gz HRZUBDYJLYOSNO-UHFFFAOYSA-N -1 3 290.750 3.121 20 0 CGADHM C[C@H](CCNCc1c(F)cccc1Cl)CC(=O)[O-] ZINC000277273400 393307961 /nfs/dbraw/zinc/30/79/61/393307961.db2.gz LOGJWFGKZALGCI-SECBINFHSA-N -1 3 273.735 3.070 20 0 CGADHM Cc1ccc2nccc(NC3CCC(C(=O)[O-])CC3)c2c1 ZINC000416430817 393311742 /nfs/dbraw/zinc/31/17/42/393311742.db2.gz DXSKKOPUNQLKBV-UHFFFAOYSA-N -1 3 284.359 3.020 20 0 CGADHM CC[C@H]([N-]C(=O)C(F)F)c1ccccc1OC(F)F ZINC000279416649 393333900 /nfs/dbraw/zinc/33/39/00/393333900.db2.gz FHPXFKLWRSFVDB-QMMMGPOBSA-N -1 3 279.233 3.120 20 0 CGADHM C[C@@]1(C(=O)NCc2ccc([O-])c(F)c2)CCc2ccccc21 ZINC000648833088 393267956 /nfs/dbraw/zinc/26/79/56/393267956.db2.gz XHUONXJFGZRNIN-GOSISDBHSA-N -1 3 299.345 3.052 20 0 CGADHM CC[C@H]1CCCC[C@H]1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000475522079 393406640 /nfs/dbraw/zinc/40/66/40/393406640.db2.gz ATEAOGFUAZDYQL-SMDDNHRTSA-N -1 3 299.378 3.022 20 0 CGADHM CC[C@H]1CCCC[C@H]1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000475522079 393406646 /nfs/dbraw/zinc/40/66/46/393406646.db2.gz ATEAOGFUAZDYQL-SMDDNHRTSA-N -1 3 299.378 3.022 20 0 CGADHM CC[C@@H](CC(F)(F)F)C(=O)N=c1[nH][n-]c(C(C)C)c1C ZINC000649229171 393377603 /nfs/dbraw/zinc/37/76/03/393377603.db2.gz PTAZWAZPVAIHHD-VIFPVBQESA-N -1 3 291.317 3.181 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)c1cccc(C(C)C)n1 ZINC000649231386 393379025 /nfs/dbraw/zinc/37/90/25/393379025.db2.gz SHAGQOZWWHBBHC-UHFFFAOYSA-N -1 3 286.379 3.034 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@@H]1CCCc2ccccc21 ZINC000649233162 393380504 /nfs/dbraw/zinc/38/05/04/393380504.db2.gz BKENUHJLXZNCJS-OAHLLOKOSA-N -1 3 297.402 3.322 20 0 CGADHM CC(C)[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cccs1 ZINC000488798620 393555835 /nfs/dbraw/zinc/55/58/35/393555835.db2.gz VIPPAPPPFMFLFX-NWDGAFQWSA-N -1 3 287.450 3.241 20 0 CGADHM CCc1ccc([O-])c(C(=O)N(C)[C@@H]2CC[C@@H](C)C2)c1 ZINC000430451025 393569269 /nfs/dbraw/zinc/56/92/69/393569269.db2.gz VFJJCQNJBMUKRZ-DGCLKSJQSA-N -1 3 261.365 3.215 20 0 CGADHM Cc1ccc([C@@H](C)[C@@H](O)C(=O)Nc2c(C)cccc2[O-])cc1 ZINC000490698509 393651855 /nfs/dbraw/zinc/65/18/55/393651855.db2.gz XSBMXAQMTGTREY-CXAGYDPISA-N -1 3 299.370 3.112 20 0 CGADHM O=C(/C=C/C1CC1)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000492220909 393705128 /nfs/dbraw/zinc/70/51/28/393705128.db2.gz GVPRSKBBILGHAR-ZZXKWVIFSA-N -1 3 271.238 3.316 20 0 CGADHM Cc1ccc(/C=C/C(=O)Nc2cc(Cl)ccc2[O-])cn1 ZINC000492389243 393727867 /nfs/dbraw/zinc/72/78/67/393727867.db2.gz FVBNHASYGDAUII-QPJJXVBHSA-N -1 3 288.734 3.401 20 0 CGADHM COc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccccc2C)c([O-])c1 ZINC000443563055 393764144 /nfs/dbraw/zinc/76/41/44/393764144.db2.gz XSIIPVKRFFDBFR-LSDHHAIUSA-N -1 3 297.354 3.451 20 0 CGADHM CC(C)CC[C@@H]([N-]S(=O)(=O)c1ccco1)C(C)(C)C ZINC000445713146 393818600 /nfs/dbraw/zinc/81/86/00/393818600.db2.gz AKWHSJARSSCSPQ-GFCCVEGCSA-N -1 3 287.425 3.409 20 0 CGADHM CCc1ccc([O-])c(C(=O)NCCc2ccccc2F)c1 ZINC000500413540 393826785 /nfs/dbraw/zinc/82/67/85/393826785.db2.gz YUXYLZUJISZFMI-UHFFFAOYSA-N -1 3 287.334 3.066 20 0 CGADHM CC[C@H](C)OCC(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000501945856 393864875 /nfs/dbraw/zinc/86/48/75/393864875.db2.gz KFSSLENUWKBLLW-NSHDSACASA-N -1 3 279.380 3.443 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)NCC1CCCCCC1 ZINC000452792230 394120716 /nfs/dbraw/zinc/12/07/16/394120716.db2.gz LBSSAQPNRXATIF-UHFFFAOYSA-N -1 3 279.355 3.160 20 0 CGADHM CCCn1ncc(NC(=O)c2cc(C)ccc2[O-])c1C1CC1 ZINC000452902547 394134310 /nfs/dbraw/zinc/13/43/10/394134310.db2.gz CQXSOPXZZPMURB-UHFFFAOYSA-N -1 3 299.374 3.437 20 0 CGADHM C[C@@]1(c2nc(-c3ccc([O-])cc3)no2)CC=CCC1 ZINC000453018509 394146820 /nfs/dbraw/zinc/14/68/20/394146820.db2.gz KTLYKZHDWABOHQ-OAHLLOKOSA-N -1 3 256.305 3.440 20 0 CGADHM CCC(CC)(OC)c1noc(Cc2ccc([O-])c(F)c2)n1 ZINC000453188674 394200536 /nfs/dbraw/zinc/20/05/36/394200536.db2.gz PXSWIOUSJGOEQM-UHFFFAOYSA-N -1 3 294.326 3.167 20 0 CGADHM CSc1ccc([O-])c(C(=O)NC(C)(C)C2CC2)c1 ZINC000669164806 543090013 /nfs/dbraw/zinc/09/00/13/543090013.db2.gz LISVEKZNZBEMIU-UHFFFAOYSA-N -1 3 265.378 3.033 20 0 CGADHM Cc1cc(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])c(C)nn1 ZINC000669746835 543124105 /nfs/dbraw/zinc/12/41/05/543124105.db2.gz LKQQFJFOGXYCPY-UHFFFAOYSA-N -1 3 299.374 3.349 20 0 CGADHM COc1cc(C(=O)N(C)C(C)(C)c2ccccc2)ccc1[O-] ZINC000671891586 543194439 /nfs/dbraw/zinc/19/44/39/543194439.db2.gz OZSXTELDRNLBOD-UHFFFAOYSA-N -1 3 299.370 3.408 20 0 CGADHM Cc1noc(C(F)F)c1C(=O)[N-]c1nc2c(s1)CCC2 ZINC000673645062 543249640 /nfs/dbraw/zinc/24/96/40/543249640.db2.gz OVJSXFRBMDDYRJ-UHFFFAOYSA-N -1 3 299.302 3.118 20 0 CGADHM CSc1ccncc1[N-]C(=O)c1cnc(C2CC2)s1 ZINC000674255818 543277543 /nfs/dbraw/zinc/27/75/43/543277543.db2.gz FVQUGRAEENEQDD-UHFFFAOYSA-N -1 3 291.401 3.390 20 0 CGADHM C[C@@H](C(=O)[O-])C1(NCc2ccc(Cl)cc2Cl)CC1 ZINC000649508802 397715733 /nfs/dbraw/zinc/71/57/33/397715733.db2.gz GAXMKBVIMAFIKX-QMMMGPOBSA-N -1 3 288.174 3.336 20 0 CGADHM Cc1cc2cc(CNC3([C@H](C)C(=O)[O-])CC3)oc2cc1C ZINC000649509721 397715948 /nfs/dbraw/zinc/71/59/48/397715948.db2.gz FEDIXQWQAVZJHO-GFCCVEGCSA-N -1 3 287.359 3.393 20 0 CGADHM C[C@@H]1CC[C@H](C(=O)[O-])N1Cc1cc(Cl)ccc1Cl ZINC000650502479 397859671 /nfs/dbraw/zinc/85/96/71/397859671.db2.gz CPVOCAFFAZJVPT-PRHODGIISA-N -1 3 288.174 3.431 20 0 CGADHM CC[C@@H](C(=O)[O-])N(C)Cc1ccc(F)c(Cl)c1Cl ZINC000650806419 397927445 /nfs/dbraw/zinc/92/74/45/397927445.db2.gz ZYTPRIZTHUZHKL-VIFPVBQESA-N -1 3 294.153 3.428 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2C[C@H](C)[C@H]3CCCC[C@@H]32)c1 ZINC000180528014 292164069 /nfs/dbraw/zinc/16/40/69/292164069.db2.gz DEASOXAQHSXGES-GUTXKFCHSA-N -1 3 273.376 3.351 20 0 CGADHM CCN(C[C@H]1CCOC1)C(=O)c1ccc(C(C)C)cc1[O-] ZINC000677873659 543469790 /nfs/dbraw/zinc/46/97/90/543469790.db2.gz RLUHYYPGPMNWRI-CYBMUJFWSA-N -1 3 291.391 3.014 20 0 CGADHM Cc1ccc(C(=O)N2CCC(c3cccnc3)CC2)c([O-])c1 ZINC000678164956 543490402 /nfs/dbraw/zinc/49/04/02/543490402.db2.gz AZUZKBBTUFVBIH-UHFFFAOYSA-N -1 3 296.370 3.115 20 0 CGADHM CCc1cc(=O)[n-]c(CN[C@H](CC2CC2)c2ccccc2)n1 ZINC000678777746 543557667 /nfs/dbraw/zinc/55/76/67/543557667.db2.gz WDTRZTONBKSQPV-MRXNPFEDSA-N -1 3 297.402 3.376 20 0 CGADHM COc1ccc(C(=O)N2CC[C@@]3(CC[C@@H](C)C3)C2)c([O-])c1 ZINC000368055640 286280246 /nfs/dbraw/zinc/28/02/46/286280246.db2.gz FVNWIVZJVHDDIN-SJKOYZFVSA-N -1 3 289.375 3.053 20 0 CGADHM Cc1cccc(C(=O)N2Cc3ccccc3O[C@@H](C)C2)c1[O-] ZINC000436690084 292424905 /nfs/dbraw/zinc/42/49/05/292424905.db2.gz XXFMBKGMRZMRPP-ZDUSSCGKSA-N -1 3 297.354 3.124 20 0 CGADHM CN(Cc1ccc(Cl)s1)C(=O)c1cccc([O-])c1 ZINC000042206212 286892064 /nfs/dbraw/zinc/89/20/64/286892064.db2.gz NDJKNCCEDBGLLO-UHFFFAOYSA-N -1 3 281.764 3.379 20 0 CGADHM COc1cccc(C(=O)N[C@H](C)c2ccc(C)cc2)c1[O-] ZINC000042354872 286893861 /nfs/dbraw/zinc/89/38/61/286893861.db2.gz XTPMANDIQDOXQY-GFCCVEGCSA-N -1 3 285.343 3.200 20 0 CGADHM COc1ccc([O-])c(C(=O)Nc2nc(C(C)C)cs2)c1 ZINC000050279545 286931327 /nfs/dbraw/zinc/93/13/27/286931327.db2.gz CTAWOGDTWVRREP-UHFFFAOYSA-N -1 3 292.360 3.233 20 0 CGADHM C[C@@H](CCOc1ccccc1)C(=O)Nc1ccccc1[O-] ZINC000072700396 286997981 /nfs/dbraw/zinc/99/79/81/286997981.db2.gz AETXEOVHEYNSGF-ZDUSSCGKSA-N -1 3 285.343 3.436 20 0 CGADHM O=C([O-])c1ccccc1CN1CCC(C(F)(F)F)CC1 ZINC000088422887 287086805 /nfs/dbraw/zinc/08/68/05/287086805.db2.gz HNXSWUFVJVKPIZ-UHFFFAOYSA-N -1 3 287.281 3.159 20 0 CGADHM O=C(CCC1CCCC1)Nc1ccc([O-])cc1F ZINC000085203724 165178267 /nfs/dbraw/zinc/17/82/67/165178267.db2.gz PXVTWKVFUGWVTH-UHFFFAOYSA-N -1 3 251.301 3.440 20 0 CGADHM CC[C@@H]1CC[C@@H](C)N1C(=O)c1ccc(C)c(C)c1[O-] ZINC000436769742 287100004 /nfs/dbraw/zinc/10/00/04/287100004.db2.gz ZTVBWOJRZJQQHR-DGCLKSJQSA-N -1 3 261.365 3.412 20 0 CGADHM Cc1ccc([O-])c(CN([C@@H](C)c2ccco2)C2CC2)n1 ZINC000092483460 165297918 /nfs/dbraw/zinc/29/79/18/165297918.db2.gz VHEDQLPOCKWDBB-LBPRGKRZSA-N -1 3 272.348 3.414 20 0 CGADHM Cc1ccc([O-])c(CN2C[C@@H](c3ccccc3)O[C@@H](C)C2)n1 ZINC000092486200 165299662 /nfs/dbraw/zinc/29/96/62/165299662.db2.gz XWUDREJNFFJSCG-KSSFIOAISA-N -1 3 298.386 3.058 20 0 CGADHM CCc1ccc([O-])c(C(=O)NCc2ccccc2COC)c1 ZINC000109813625 287130261 /nfs/dbraw/zinc/13/02/61/287130261.db2.gz KTNINFJSFQAWJF-UHFFFAOYSA-N -1 3 299.370 3.031 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CC[C@H](C)C[C@@H](C)C2)c1 ZINC000119406793 287169082 /nfs/dbraw/zinc/16/90/82/287169082.db2.gz BRHKCCGWVHKMIC-QWHCGFSZSA-N -1 3 261.365 3.209 20 0 CGADHM COc1ccc([O-])c(C(=O)Nc2cccc3ncccc32)c1 ZINC000121572069 287200344 /nfs/dbraw/zinc/20/03/44/287200344.db2.gz ATEMAYYIYKQTST-UHFFFAOYSA-N -1 3 294.310 3.201 20 0 CGADHM Cc1ccc(NC(=O)c2c[n-]nc2-c2ccccc2)cn1 ZINC000122455682 287210198 /nfs/dbraw/zinc/21/01/98/287210198.db2.gz SVKSMTPJBMYKDX-UHFFFAOYSA-N -1 3 278.315 3.032 20 0 CGADHM [O-]c1cccc(/C=C/c2nc(-c3ccncc3)no2)c1 ZINC000122508625 287210347 /nfs/dbraw/zinc/21/03/47/287210347.db2.gz UWIIFYVXBKKTTI-SNAWJCMRSA-N -1 3 265.272 3.008 20 0 CGADHM C[C@H](c1ccc(Cl)cc1)N1CCC(C(=O)[O-])CC1 ZINC000006176248 170180785 /nfs/dbraw/zinc/18/07/85/170180785.db2.gz AFCRNDNODFYWHO-SNVBAGLBSA-N -1 3 267.756 3.198 20 0 CGADHM CC(C)(C)C[C@H](CC(=O)[O-])NCc1cc(F)ccc1F ZINC000284378177 196042059 /nfs/dbraw/zinc/04/20/59/196042059.db2.gz YBCDKBVKHDLOCX-LBPRGKRZSA-N -1 3 285.334 3.334 20 0 CGADHM COc1cccc(C(=O)Nc2cccc3ncccc32)c1[O-] ZINC000020260189 171117268 /nfs/dbraw/zinc/11/72/68/171117268.db2.gz QAQJILIWDXQCOZ-UHFFFAOYSA-N -1 3 294.310 3.201 20 0 CGADHM CC(C)Oc1ccc(NC(=O)c2cccc([O-])c2)cc1 ZINC000020473206 171216334 /nfs/dbraw/zinc/21/63/34/171216334.db2.gz XBMMBZMNWIEDRE-UHFFFAOYSA-N -1 3 271.316 3.432 20 0 CGADHM C[C@@H]1CCCCN1C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000184795088 287262258 /nfs/dbraw/zinc/26/22/58/287262258.db2.gz FJWIUJXOZCLEBZ-GFCCVEGCSA-N -1 3 273.376 3.286 20 0 CGADHM Cc1ccc(C(=O)N[C@@H](C)c2cccs2)c([O-])c1 ZINC000035127595 171997385 /nfs/dbraw/zinc/99/73/85/171997385.db2.gz FIKWUQRLBJQTIO-JTQLQIEISA-N -1 3 261.346 3.253 20 0 CGADHM Cc1oc(CN(C)C2CCCCC2)cc1C(=O)[O-] ZINC000035432205 172200466 /nfs/dbraw/zinc/20/04/66/172200466.db2.gz WSFLZMARBZAFHQ-UHFFFAOYSA-N -1 3 251.326 3.051 20 0 CGADHM COc1ccc(-c2nc3cc(C)ccc3[nH]2)c([O-])c1 ZINC000037289010 173093962 /nfs/dbraw/zinc/09/39/62/173093962.db2.gz FKDJKLWRDJYGMR-UHFFFAOYSA-N -1 3 254.289 3.253 20 0 CGADHM COc1ccc(-c2nc3ccc(C)cc3[nH]2)c([O-])c1 ZINC000037289010 173093967 /nfs/dbraw/zinc/09/39/67/173093967.db2.gz FKDJKLWRDJYGMR-UHFFFAOYSA-N -1 3 254.289 3.253 20 0 CGADHM CCc1cccc(CC(=O)Nc2ccc(C)cc2[O-])c1 ZINC000128000100 287301112 /nfs/dbraw/zinc/30/11/12/287301112.db2.gz PZUAHSVXRUNLSG-UHFFFAOYSA-N -1 3 269.344 3.444 20 0 CGADHM C[C@H](NC(=O)c1c[n-]c2ccccc2c1=O)C1CCCCC1 ZINC000128069266 287302964 /nfs/dbraw/zinc/30/29/64/287302964.db2.gz ILSYUHACJSSACW-LBPRGKRZSA-N -1 3 298.386 3.227 20 0 CGADHM O=C(Nc1cccc([O-])c1F)c1ccc2ccccc2n1 ZINC000128273887 287307607 /nfs/dbraw/zinc/30/76/07/287307607.db2.gz AWBOHVUQWMBSFS-UHFFFAOYSA-N -1 3 282.274 3.332 20 0 CGADHM C[C@H](C(=O)Nc1cccc([O-])c1F)c1ccsc1 ZINC000129575965 287335077 /nfs/dbraw/zinc/33/50/77/287335077.db2.gz YXUFKKNPPWHRIK-QMMMGPOBSA-N -1 3 265.309 3.335 20 0 CGADHM CC(C)C[C@H](C)OCCC(=O)Nc1cccc([O-])c1F ZINC000129768933 287338817 /nfs/dbraw/zinc/33/88/17/287338817.db2.gz CJGDQNJPDXPVHZ-NSHDSACASA-N -1 3 283.343 3.311 20 0 CGADHM CCCC(CCC)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000130068676 287344333 /nfs/dbraw/zinc/34/43/33/287344333.db2.gz QMNWREYBDTXJOJ-UHFFFAOYSA-N -1 3 287.367 3.022 20 0 CGADHM CCCC(CCC)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000130068676 287344335 /nfs/dbraw/zinc/34/43/35/287344335.db2.gz QMNWREYBDTXJOJ-UHFFFAOYSA-N -1 3 287.367 3.022 20 0 CGADHM Cc1cccc(C(=O)NC2(C)CCC(F)(F)CC2)c1[O-] ZINC000680045857 543679592 /nfs/dbraw/zinc/67/95/92/543679592.db2.gz DGJCCVNMFCIURP-UHFFFAOYSA-N -1 3 283.318 3.398 20 0 CGADHM CCc1cccc(C(=O)N(CC(F)F)C(C)C)c1[O-] ZINC000536712358 288499471 /nfs/dbraw/zinc/49/94/71/288499471.db2.gz VMLHYTSJPLZINX-UHFFFAOYSA-N -1 3 271.307 3.070 20 0 CGADHM Cc1cc(C)c(NC(=O)c2cc(-c3ccco3)[n-]n2)cc1O ZINC000680825696 543737493 /nfs/dbraw/zinc/73/74/93/543737493.db2.gz WUFBGKKLSCPLCX-UHFFFAOYSA-N -1 3 297.314 3.244 20 0 CGADHM Cc1cc(C)c(NC(=O)c2cc(-c3ccco3)n[n-]2)cc1O ZINC000680825696 543737496 /nfs/dbraw/zinc/73/74/96/543737496.db2.gz WUFBGKKLSCPLCX-UHFFFAOYSA-N -1 3 297.314 3.244 20 0 CGADHM C[C@@H](C(=O)Nc1cc(Cl)ccc1[O-])C1CCOCC1 ZINC000130738353 287362093 /nfs/dbraw/zinc/36/20/93/287362093.db2.gz NPVAHHJFXMVOOC-SECBINFHSA-N -1 3 283.755 3.047 20 0 CGADHM CCc1ccc(C(=O)N[C@@H](C)c2cnccc2C)c([O-])c1 ZINC000682525060 543850895 /nfs/dbraw/zinc/85/08/95/543850895.db2.gz XTUKRYMFYMMXBW-LBPRGKRZSA-N -1 3 284.359 3.149 20 0 CGADHM Cc1ccc(C(=O)N2CC[C@@H](C(C)(C)C)C2)c([O-])c1 ZINC000131374580 287377511 /nfs/dbraw/zinc/37/75/11/287377511.db2.gz GXZHECUVYDHDAZ-GFCCVEGCSA-N -1 3 261.365 3.209 20 0 CGADHM Cc1ccc(C(=O)[N-]c2cnoc2)c(F)c1Cl ZINC000684044754 543963119 /nfs/dbraw/zinc/96/31/19/543963119.db2.gz LKVCBDQJONKUQE-UHFFFAOYSA-N -1 3 254.648 3.028 20 0 CGADHM O=C(c1cccc2nn[n-]c21)N1CCCCc2sccc21 ZINC000684785057 544029714 /nfs/dbraw/zinc/02/97/14/544029714.db2.gz JCCSVTDHVHWRNJ-UHFFFAOYSA-N -1 3 298.371 3.003 20 0 CGADHM O=C(c1cccc2[n-]nnc21)N1CCCCc2sccc21 ZINC000684785057 544029717 /nfs/dbraw/zinc/02/97/17/544029717.db2.gz JCCSVTDHVHWRNJ-UHFFFAOYSA-N -1 3 298.371 3.003 20 0 CGADHM O=C(c1cccc2n[n-]nc21)N1CCCCc2sccc21 ZINC000684785057 544029720 /nfs/dbraw/zinc/02/97/20/544029720.db2.gz JCCSVTDHVHWRNJ-UHFFFAOYSA-N -1 3 298.371 3.003 20 0 CGADHM CC[C@H]1c2ccsc2CCN1Cc1ncccc1[O-] ZINC000685410670 544066007 /nfs/dbraw/zinc/06/60/07/544066007.db2.gz KGRCJTQMJKQLEG-ZDUSSCGKSA-N -1 3 274.389 3.358 20 0 CGADHM C[C@@H]1c2c(F)cccc2CCN1Cc1ncccc1[O-] ZINC000685418074 544067347 /nfs/dbraw/zinc/06/73/47/544067347.db2.gz LQOIZZDXOJIEQL-LLVKDONJSA-N -1 3 272.323 3.046 20 0 CGADHM O=C(NCc1ccc([O-])c(F)c1)c1cc2ccccc2o1 ZINC000132719915 287409884 /nfs/dbraw/zinc/40/98/84/287409884.db2.gz CAKALNXHQBKIKV-UHFFFAOYSA-N -1 3 285.274 3.208 20 0 CGADHM CC1(C)COc2ccc(C(=O)Nc3ccccc3[O-])cc21 ZINC000685575042 544085535 /nfs/dbraw/zinc/08/55/35/544085535.db2.gz JYLYACWZFYCIQQ-UHFFFAOYSA-N -1 3 283.327 3.315 20 0 CGADHM Cn1ccc2c1cccc2[N-]S(=O)(=O)CCC(C)(C)C ZINC000685900434 544106234 /nfs/dbraw/zinc/10/62/34/544106234.db2.gz RRGHFQIJHMGHBU-UHFFFAOYSA-N -1 3 294.420 3.356 20 0 CGADHM COc1ccc(CN[C@@H](C(=O)[O-])c2cc(C)cc(C)c2)cc1 ZINC000426757219 533682258 /nfs/dbraw/zinc/68/22/58/533682258.db2.gz NVNAIMNRKSHDPT-QGZVFWFLSA-N -1 3 299.370 3.228 20 0 CGADHM CC[C@]1(C)C[C@@H]1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000136306240 287482378 /nfs/dbraw/zinc/48/23/78/287482378.db2.gz WGCZLVQAMIUBMU-NOZJJQNGSA-N -1 3 253.729 3.420 20 0 CGADHM CC[C@@]1(C)CCN([C@H](C)c2cc(C(=O)[O-])c(C)o2)C1 ZINC000652431657 418966776 /nfs/dbraw/zinc/96/67/76/418966776.db2.gz HCCBSIUHEVMNER-BMIGLBTASA-N -1 3 265.353 3.469 20 0 CGADHM CCN(Cc1oc(-c2ccccc2)nc1C(=O)[O-])C(C)C ZINC000652386305 418959451 /nfs/dbraw/zinc/95/94/51/418959451.db2.gz RDPKDPRFDBFURP-UHFFFAOYSA-N -1 3 288.347 3.270 20 0 CGADHM Cc1cc([C@H](C)N2CCC(OC(C)C)CC2)oc1C(=O)[O-] ZINC000652399662 418961614 /nfs/dbraw/zinc/96/16/14/418961614.db2.gz YHSZALSEKOZHHZ-LBPRGKRZSA-N -1 3 295.379 3.237 20 0 CGADHM Cc1c2ccccc2nc(CN2CC=CCC2)c1C(=O)[O-] ZINC000652393108 418962003 /nfs/dbraw/zinc/96/20/03/418962003.db2.gz ZODDANADGALPQK-UHFFFAOYSA-N -1 3 282.343 3.003 20 0 CGADHM CC[C@@H]1c2ccccc2CCN1Cc1ccc(C(=O)[O-])o1 ZINC000652414597 418964565 /nfs/dbraw/zinc/96/45/65/418964565.db2.gz IMERKFJZOVFVJP-OAHLLOKOSA-N -1 3 285.343 3.487 20 0 CGADHM CC[C@@H]1c2ccccc2CCN1Cc1ccoc1C(=O)[O-] ZINC000652414539 418964922 /nfs/dbraw/zinc/96/49/22/418964922.db2.gz FUKOAHQFIOSKEK-OAHLLOKOSA-N -1 3 285.343 3.487 20 0 CGADHM CC(C)CCOc1ccc([N-]C(=O)c2cnco2)c(F)c1 ZINC000655360395 419041728 /nfs/dbraw/zinc/04/17/28/419041728.db2.gz HGMXNPBYCJPDNJ-UHFFFAOYSA-N -1 3 292.310 3.491 20 0 CGADHM Cc1ccc(C(=O)N2CCC[C@@H](OC(C)C)C2)c([O-])c1C ZINC000652748933 418989068 /nfs/dbraw/zinc/98/90/68/418989068.db2.gz DPTISQASGPLQIS-CQSZACIVSA-N -1 3 291.391 3.039 20 0 CGADHM CC[C@@H](c1ccccc1)N(CCC(F)(F)F)CC(=O)[O-] ZINC000659793085 418991731 /nfs/dbraw/zinc/99/17/31/418991731.db2.gz GWIWITIOVKCVEX-LBPRGKRZSA-N -1 3 289.297 3.477 20 0 CGADHM CCc1oc(C(=O)[O-])cc1CN1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000659795776 418993644 /nfs/dbraw/zinc/99/36/44/418993644.db2.gz OJTLZKCAGJNDPX-GXTWGEPZSA-N -1 3 299.317 3.017 20 0 CGADHM CO[C@@H](C(=O)Nc1ccc(C)cc1[O-])C1CCCCC1 ZINC000665202826 419079686 /nfs/dbraw/zinc/07/96/86/419079686.db2.gz PPGOBZKIPGHOPU-OAHLLOKOSA-N -1 3 277.364 3.234 20 0 CGADHM CC(C)n1nccc1C=Cc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000656106262 419141598 /nfs/dbraw/zinc/14/15/98/419141598.db2.gz UNUAGPDYCAGMDN-ONEGZZNKSA-N -1 3 298.268 3.149 20 0 CGADHM Cc1ccc(CNC(C)(C)c2nc(C)cc(=O)[n-]2)c(C)c1 ZINC000660749814 419189117 /nfs/dbraw/zinc/18/91/17/419189117.db2.gz QKAHXLDWKDGVKM-UHFFFAOYSA-N -1 3 285.391 3.132 20 0 CGADHM Cc1sc(C(=O)[O-])cc1CN1CCC[C@@H](CCF)C1 ZINC000656763831 419212815 /nfs/dbraw/zinc/21/28/15/419212815.db2.gz QZMNNOAYKHYRRV-NSHDSACASA-N -1 3 285.384 3.326 20 0 CGADHM CC(C)=CCCSc1n[n-]c(-c2ccccn2)n1 ZINC000657249253 419236330 /nfs/dbraw/zinc/23/63/30/419236330.db2.gz HNCBBKDRSSTTCQ-UHFFFAOYSA-N -1 3 260.366 3.315 20 0 CGADHM CC[C@@H](COCC1CC1)NCc1cccc([O-])c1Cl ZINC000657564076 419306706 /nfs/dbraw/zinc/30/67/06/419306706.db2.gz YMMYCBVLSHCBEL-ZDUSSCGKSA-N -1 3 283.799 3.340 20 0 CGADHM C[C@H](CN1CCC(C)CC1)NCc1cccc([O-])c1Cl ZINC000657694430 419329010 /nfs/dbraw/zinc/32/90/10/419329010.db2.gz MRBPOJXABZACEB-CYBMUJFWSA-N -1 3 296.842 3.256 20 0 CGADHM O=C(/C=C/c1cncc([O-])c1)N[C@@H](c1ccccc1)C1CC1 ZINC000179414615 260047246 /nfs/dbraw/zinc/04/72/46/260047246.db2.gz FKGPUZULALGYQB-YOCVDRLZSA-N -1 3 294.354 3.068 20 0 CGADHM CC(C)[C@@H]1CCCC[C@H]1NC(=O)c1cccc([O-])c1 ZINC000215137957 260111062 /nfs/dbraw/zinc/11/10/62/260111062.db2.gz FUXVCAWROLNPQV-LSDHHAIUSA-N -1 3 261.365 3.337 20 0 CGADHM O=C(NCc1cccc2ccccc21)c1ccc(O)cc1[O-] ZINC000317572875 260277080 /nfs/dbraw/zinc/27/70/80/260277080.db2.gz DODPLBFKGAMEMB-UHFFFAOYSA-N -1 3 293.322 3.181 20 0 CGADHM CN(C(=O)c1ccc2c(c1[O-])CCCC2)C1CCCC1 ZINC000184937393 262299377 /nfs/dbraw/zinc/29/93/77/262299377.db2.gz HWADOOWALPWYNK-UHFFFAOYSA-N -1 3 273.376 3.286 20 0 CGADHM C[C@H](CC(=O)[O-])NCc1ccc(-c2c(F)cccc2F)o1 ZINC000414642675 263019459 /nfs/dbraw/zinc/01/94/59/263019459.db2.gz WBVQAMMPUAWFCE-SECBINFHSA-N -1 3 295.285 3.178 20 0 CGADHM CN(CCCC(=O)[O-])Cc1cscc1C(F)(F)F ZINC000414643045 263020007 /nfs/dbraw/zinc/02/00/07/263020007.db2.gz WPEOOFKFSPKTHS-UHFFFAOYSA-N -1 3 281.299 3.064 20 0 CGADHM Cc1ccc(Cc2nc(-c3ccc([O-])cc3)no2)cc1 ZINC000037331429 270029117 /nfs/dbraw/zinc/02/91/17/270029117.db2.gz CUSDYUOGXQVTEL-UHFFFAOYSA-N -1 3 266.300 3.341 20 0 CGADHM Cc1cc([C@@H](C)NC(=O)c2ccc(C)cc2[O-])c(C)o1 ZINC000044731493 270037694 /nfs/dbraw/zinc/03/76/94/270037694.db2.gz KOAZFQWOFHGKTM-LLVKDONJSA-N -1 3 273.332 3.401 20 0 CGADHM COc1cccc(C(=O)N(C)CC2CCCCC2)c1[O-] ZINC000042420467 270033087 /nfs/dbraw/zinc/03/30/87/270033087.db2.gz WZVJMLODGJEDGB-UHFFFAOYSA-N -1 3 277.364 3.053 20 0 CGADHM CCc1ccccc1CNC(=O)c1cccc(C)c1[O-] ZINC000084204601 270043239 /nfs/dbraw/zinc/04/32/39/270043239.db2.gz RZAJFNFLIPUABA-UHFFFAOYSA-N -1 3 269.344 3.193 20 0 CGADHM C[C@@H](C(=O)Nc1ccc([O-])cc1F)c1cccs1 ZINC000183246412 270055251 /nfs/dbraw/zinc/05/52/51/270055251.db2.gz XOBFDAAREZSCDA-MRVPVSSYSA-N -1 3 265.309 3.335 20 0 CGADHM COc1cccc2c1CC[C@@H]2NCc1cc([O-])cc(F)c1 ZINC000185575148 270063500 /nfs/dbraw/zinc/06/35/00/270063500.db2.gz CWSVMIZWHXGFHP-INIZCTEOSA-N -1 3 287.334 3.317 20 0 CGADHM Cc1ccc(-c2cc(C(=O)N(C)c3ccc(F)cc3)n[n-]2)o1 ZINC000194762234 270082790 /nfs/dbraw/zinc/08/27/90/270082790.db2.gz ANWGVOHNPLRJJJ-UHFFFAOYSA-N -1 3 299.305 3.394 20 0 CGADHM Cc1ccc(-c2cc(C(=O)N(C)c3ccc(F)cc3)[n-]n2)o1 ZINC000194762234 270082791 /nfs/dbraw/zinc/08/27/91/270082791.db2.gz ANWGVOHNPLRJJJ-UHFFFAOYSA-N -1 3 299.305 3.394 20 0 CGADHM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1ccccc1 ZINC000229336311 270088354 /nfs/dbraw/zinc/08/83/54/270088354.db2.gz BVJGRSPPFZZJKA-UHFFFAOYSA-N -1 3 279.336 3.243 20 0 CGADHM CCc1cccnc1-c1noc(-c2cccc(OC)c2[O-])n1 ZINC000316858748 270092989 /nfs/dbraw/zinc/09/29/89/270092989.db2.gz SSHCZMYRIGIDAJ-UHFFFAOYSA-N -1 3 297.314 3.075 20 0 CGADHM Cc1ccc(-c2cc(C(=O)[N-]c3cc(C)ncn3)on2)cc1 ZINC000525132251 270117558 /nfs/dbraw/zinc/11/75/58/270117558.db2.gz UZUVFQYDAAGOCN-UHFFFAOYSA-N -1 3 294.314 3.001 20 0 CGADHM O=C(Nc1csc2ccccc12)c1cccc2nn[n-]c21 ZINC000527112555 270125837 /nfs/dbraw/zinc/12/58/37/270125837.db2.gz UAQBAQDWIORYRS-UHFFFAOYSA-N -1 3 294.339 3.425 20 0 CGADHM O=C(Nc1csc2ccccc12)c1cccc2[n-]nnc21 ZINC000527112555 270125838 /nfs/dbraw/zinc/12/58/38/270125838.db2.gz UAQBAQDWIORYRS-UHFFFAOYSA-N -1 3 294.339 3.425 20 0 CGADHM O=C(Nc1csc2ccccc12)c1cccc2n[n-]nc21 ZINC000527112555 270125839 /nfs/dbraw/zinc/12/58/39/270125839.db2.gz UAQBAQDWIORYRS-UHFFFAOYSA-N -1 3 294.339 3.425 20 0 CGADHM CC1(C)COc2cc(NC([O-])=NOC3CCCC3)ccc21 ZINC000529157351 270177917 /nfs/dbraw/zinc/17/79/17/270177917.db2.gz JNSKYUKTENFXET-UHFFFAOYSA-N -1 3 290.363 3.352 20 0 CGADHM CC1(C)COc2cc(NC(=O)[N-]OC3CCCC3)ccc21 ZINC000529157351 270177918 /nfs/dbraw/zinc/17/79/18/270177918.db2.gz JNSKYUKTENFXET-UHFFFAOYSA-N -1 3 290.363 3.352 20 0 CGADHM CCc1cc(C(=O)N[C@@H]2C[C@H]2c2ccsc2)ccc1[O-] ZINC000530002951 270192530 /nfs/dbraw/zinc/19/25/30/270192530.db2.gz PTXZJFNNSSZYDW-UONOGXRCSA-N -1 3 287.384 3.302 20 0 CGADHM CCC1(C(=O)Nc2ccc(Br)cc2[O-])CC1 ZINC000530670084 270201948 /nfs/dbraw/zinc/20/19/48/270201948.db2.gz MVENVMUXOAVITA-UHFFFAOYSA-N -1 3 284.153 3.283 20 0 CGADHM CCc1cccc(C(=O)NCc2ccc(COC)cc2)c1[O-] ZINC000531117035 270204223 /nfs/dbraw/zinc/20/42/23/270204223.db2.gz AXOHXDFSHQSWLT-UHFFFAOYSA-N -1 3 299.370 3.031 20 0 CGADHM CCc1cccc(C(=O)N[C@@H]2CCc3c2cccc3O)c1[O-] ZINC000531116638 270204312 /nfs/dbraw/zinc/20/43/12/270204312.db2.gz SLDHEKXEEIIOCX-OAHLLOKOSA-N -1 3 297.354 3.078 20 0 CGADHM CCc1cccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)c1[O-] ZINC000531357230 270205940 /nfs/dbraw/zinc/20/59/40/270205940.db2.gz ZUKMOCCDVCNTTD-VXGBXAGGSA-N -1 3 261.365 3.073 20 0 CGADHM CCc1cccc(C(=O)N(C)Cc2cccc(F)c2)c1[O-] ZINC000531436222 270207047 /nfs/dbraw/zinc/20/70/47/270207047.db2.gz LRTYEPAMABATCJ-UHFFFAOYSA-N -1 3 287.334 3.366 20 0 CGADHM CCCCOCCCN=c1[n-]c(C(F)(F)F)cs1 ZINC000533205161 270222114 /nfs/dbraw/zinc/22/21/14/270222114.db2.gz LMMJAPLCGJGIMW-UHFFFAOYSA-N -1 3 282.331 3.203 20 0 CGADHM CC(=O)c1ccc(C(=O)N[C@H]2CCC23CCCC3)cc1[O-] ZINC000412299742 275804821 /nfs/dbraw/zinc/80/48/21/275804821.db2.gz IJGPUANCBVXZJP-HNNXBMFYSA-N -1 3 287.359 3.047 20 0 CGADHM O=C(/C=C\c1ccccc1)Nc1cccc([O-])c1F ZINC000255048190 287855896 /nfs/dbraw/zinc/85/58/96/287855896.db2.gz KFXMNGYEDUDEGB-KTKRTIGZSA-N -1 3 257.264 3.183 20 0 CGADHM C[C@@H]1CCN(C(=O)[C@@H]2CC23CC3)c2c([O-])cccc21 ZINC000335006690 277743769 /nfs/dbraw/zinc/74/37/69/277743769.db2.gz RNDCGUDWKATYKF-PWSUYJOCSA-N -1 3 257.333 3.033 20 0 CGADHM C[C@@H]1[C@@H](C(=O)Nc2ccccc2[O-])CCN1c1ccccc1 ZINC000356153192 279076312 /nfs/dbraw/zinc/07/63/12/279076312.db2.gz SRCUJRROQFBATJ-HIFRSBDPSA-N -1 3 296.370 3.246 20 0 CGADHM C[C@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000521729359 288137130 /nfs/dbraw/zinc/13/71/30/288137130.db2.gz BZNIFWYFDRMJRL-KYZUINATSA-N -1 3 293.841 3.259 20 0 CGADHM C[C@H](NC(=O)c1csc(=O)[n-]1)[C@@H](C)C1CCCCC1 ZINC000527457704 288169163 /nfs/dbraw/zinc/16/91/63/288169163.db2.gz BFODCGTVRFVPHD-ZJUUUORDSA-N -1 3 282.409 3.183 20 0 CGADHM Cc1cc(C(=O)NC2(Cc3ccccc3)CC2)ccc1[O-] ZINC000274749587 280347148 /nfs/dbraw/zinc/34/71/48/280347148.db2.gz PMVOPRGYKXBIEN-UHFFFAOYSA-N -1 3 281.355 3.206 20 0 CGADHM Cc1cc(C)c(NC(=O)c2cc(F)cc3[n-]nnc32)c(C)c1 ZINC000433311457 280393975 /nfs/dbraw/zinc/39/39/75/280393975.db2.gz MNTSWXQJXHNAQF-UHFFFAOYSA-N -1 3 298.321 3.275 20 0 CGADHM Cc1cc(C)c(NC(=O)c2cc(F)cc3nn[n-]c32)c(C)c1 ZINC000433311457 280393977 /nfs/dbraw/zinc/39/39/77/280393977.db2.gz MNTSWXQJXHNAQF-UHFFFAOYSA-N -1 3 298.321 3.275 20 0 CGADHM Cc1cc(C)c(NC(=O)c2cc(F)cc3n[n-]nc32)c(C)c1 ZINC000433311457 280393978 /nfs/dbraw/zinc/39/39/78/280393978.db2.gz MNTSWXQJXHNAQF-UHFFFAOYSA-N -1 3 298.321 3.275 20 0 CGADHM CC[C@@H]1c2ccsc2CCN1C(=O)c1csc(=O)[n-]1 ZINC000336408533 280621549 /nfs/dbraw/zinc/62/15/49/280621549.db2.gz MQJCQWDZQDGUNC-SNVBAGLBSA-N -1 3 294.401 3.060 20 0 CGADHM Cc1ccc(CN[C@H](CC(=O)[O-])c2ccsc2)cc1 ZINC000277039769 280831763 /nfs/dbraw/zinc/83/17/63/280831763.db2.gz QQGIENHOFDQPGF-CQSZACIVSA-N -1 3 275.373 3.362 20 0 CGADHM Cc1ccc(NC(=O)c2cc(-n3cccc3)ccn2)c([O-])c1 ZINC000345244188 280909380 /nfs/dbraw/zinc/90/93/80/280909380.db2.gz OVTWHYAPUFTFLK-UHFFFAOYSA-N -1 3 293.326 3.139 20 0 CGADHM Cc1ccc(C(=O)N2CCC(F)(F)C[C@@H]2C)c([O-])c1C ZINC000530010794 288284338 /nfs/dbraw/zinc/28/43/38/288284338.db2.gz JBUPOBZUBGNSAI-JTQLQIEISA-N -1 3 283.318 3.269 20 0 CGADHM CC[C@H]1CCCC[C@@H]1C(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000280486248 281061158 /nfs/dbraw/zinc/06/11/58/281061158.db2.gz FAQXFCXAZCVWLM-RYUDHWBXSA-N -1 3 299.378 3.022 20 0 CGADHM CC[C@H]1CCCC[C@@H]1C(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000280486248 281061161 /nfs/dbraw/zinc/06/11/61/281061161.db2.gz FAQXFCXAZCVWLM-RYUDHWBXSA-N -1 3 299.378 3.022 20 0 CGADHM CC[C@H]1CCCC[C@@H]1C(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000280486248 281061165 /nfs/dbraw/zinc/06/11/65/281061165.db2.gz FAQXFCXAZCVWLM-RYUDHWBXSA-N -1 3 299.378 3.022 20 0 CGADHM CC[C@H]1CCC[C@H]1C(=O)Nc1cccc([O-])c1F ZINC000336186416 281088877 /nfs/dbraw/zinc/08/88/77/281088877.db2.gz UHGKWFBBYWOWPZ-VHSXEESVSA-N -1 3 251.301 3.296 20 0 CGADHM CC[C@H]1CC[C@@H](C)N1C(=O)c1c[n-]c2c(C)cccc2c1=O ZINC000408349564 281105762 /nfs/dbraw/zinc/10/57/62/281105762.db2.gz RAFVEJRKCKZJJS-OLZOCXBDSA-N -1 3 298.386 3.240 20 0 CGADHM Cc1cccc(C(=O)N[C@@H]2CCc3ccccc32)c1[O-] ZINC000436510426 281194729 /nfs/dbraw/zinc/19/47/29/281194729.db2.gz DGEUWGXGNADKQF-OAHLLOKOSA-N -1 3 267.328 3.118 20 0 CGADHM CCc1cc(C(=O)N2CC(C)(C)[C@@H]2C2CC2)ccc1[O-] ZINC000291892587 281376202 /nfs/dbraw/zinc/37/62/02/281376202.db2.gz JVDMRROXHRVPPN-HNNXBMFYSA-N -1 3 273.376 3.215 20 0 CGADHM CCc1ccc(C(=O)N2CC[C@@H](CC(C)C)C2)c([O-])c1 ZINC000436832660 281396970 /nfs/dbraw/zinc/39/69/70/281396970.db2.gz JQASAAMJNIMHBU-AWEZNQCLSA-N -1 3 275.392 3.463 20 0 CGADHM C[C@H](CC(=O)Nc1ccc(Cl)cc1[O-])n1cccc1 ZINC000532836648 288371198 /nfs/dbraw/zinc/37/11/98/288371198.db2.gz HCIBGOATRAWACT-SNVBAGLBSA-N -1 3 278.739 3.437 20 0 CGADHM CC(C)N(Cc1nc(=O)c2sccc2[n-]1)CC1CC1 ZINC000533493318 288383009 /nfs/dbraw/zinc/38/30/09/288383009.db2.gz LKTXERSQCAFMEZ-UHFFFAOYSA-N -1 3 277.393 3.017 20 0 CGADHM Cc1cccc(C)c1OCCC(=O)Nc1ccccc1[O-] ZINC000533919163 288397643 /nfs/dbraw/zinc/39/76/43/288397643.db2.gz GUCMBPCUUDCINP-UHFFFAOYSA-N -1 3 285.343 3.417 20 0 CGADHM Cc1ccc(C(=O)N(Cc2ccccn2)C(C)C)c([O-])c1 ZINC000539842334 288634824 /nfs/dbraw/zinc/63/48/24/288634824.db2.gz QEVKAZKJNKOTCQ-UHFFFAOYSA-N -1 3 284.359 3.146 20 0 CGADHM O=C(c1ccc2c(c1[O-])CCCC2)N1C2CCC1CC2 ZINC000541640889 288714475 /nfs/dbraw/zinc/71/44/75/288714475.db2.gz UYAOAONEVNSMPD-UHFFFAOYSA-N -1 3 271.360 3.038 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2C[C@H](C)CC(C)(C)C2)c1 ZINC000542438208 288751321 /nfs/dbraw/zinc/75/13/21/288751321.db2.gz KUPBUMPCDDRDLC-GFCCVEGCSA-N -1 3 275.392 3.463 20 0 CGADHM C[C@@H]1CCN(C(=O)Cc2ccc([O-])cc2Cl)CC1(C)C ZINC000544798560 288862780 /nfs/dbraw/zinc/86/27/80/288862780.db2.gz FEUANEDDUKCHIX-LLVKDONJSA-N -1 3 295.810 3.483 20 0 CGADHM CC(C)Cc1noc(-c2ccc3c(c2[O-])OC(C)(C)C3)n1 ZINC000546252314 288921061 /nfs/dbraw/zinc/92/10/61/288921061.db2.gz UIWICKUFNRLXTD-UHFFFAOYSA-N -1 3 288.347 3.354 20 0 CGADHM C[C@@H](CC1CCCCC1)C(=O)N=c1cc2ccccn2[n-]1 ZINC000553000500 289205056 /nfs/dbraw/zinc/20/50/56/289205056.db2.gz JXKQEEGCEBUZAO-ZDUSSCGKSA-N -1 3 285.391 3.301 20 0 CGADHM CCc1ccc([O-])c(C(=O)NCC2(C(F)(F)F)CC2)c1 ZINC000553535895 289228761 /nfs/dbraw/zinc/22/87/61/289228761.db2.gz WQKUYFFHYBPFIE-UHFFFAOYSA-N -1 3 287.281 3.027 20 0 CGADHM C[C@H]1CC[C@H]1NC(=O)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000553731949 289237356 /nfs/dbraw/zinc/23/73/56/289237356.db2.gz FKBDJYPRYOFBBB-IONNQARKSA-N -1 3 295.795 3.320 20 0 CGADHM O=C(N=c1cc2ccccn2[n-]1)N1CCCC12CCCCC2 ZINC000554526803 289289830 /nfs/dbraw/zinc/28/98/30/289289830.db2.gz ZGHYZDLDPBNDMU-UHFFFAOYSA-N -1 3 298.390 3.087 20 0 CGADHM C[C@H](C(=O)N1CC[C@H](C)c2cccc([O-])c21)c1cccnc1 ZINC000186320841 289300817 /nfs/dbraw/zinc/30/08/17/289300817.db2.gz FGAYWTRUFJVNOM-STQMWFEESA-N -1 3 296.370 3.431 20 0 CGADHM Cc1[nH]nc(NC(=O)c2cc3cc(Cl)sc3[n-]2)c1C ZINC000561412022 289639341 /nfs/dbraw/zinc/63/93/41/289639341.db2.gz LSCVDWULZAQOFL-UHFFFAOYSA-N -1 3 294.767 3.475 20 0 CGADHM C[C@H]1C[C@@H]1c1ccc(CNC(=O)c2cc([O-])ccc2F)o1 ZINC000562645458 289722086 /nfs/dbraw/zinc/72/20/86/289722086.db2.gz ZMWAVJVYSXLPAA-CABZTGNLSA-N -1 3 289.306 3.178 20 0 CGADHM C[C@H](c1cc(Cl)ccc1Cl)N(C)CCC(=O)[O-] ZINC000083662794 290214733 /nfs/dbraw/zinc/21/47/33/290214733.db2.gz UGTDPRXZQZSNRK-MRVPVSSYSA-N -1 3 276.163 3.461 20 0 CGADHM C[C@H](c1ccc(Cl)cc1Cl)N(C)CCC(=O)[O-] ZINC000083662506 290227528 /nfs/dbraw/zinc/22/75/28/290227528.db2.gz KSKXFTIENVWBPC-MRVPVSSYSA-N -1 3 276.163 3.461 20 0 CGADHM C[C@@H]1C[C@@H](C)CN(C(=O)c2cc3c(cc2[O-])CCCC3)C1 ZINC000436756154 297225569 /nfs/dbraw/zinc/22/55/69/297225569.db2.gz PRIGPLUZRODQIJ-CHWSQXEVSA-N -1 3 287.403 3.389 20 0 CGADHM Cc1ccc(C(=O)N2CC3(CCC3)[C@H]2C2CC2)c([O-])c1C ZINC000291866315 301496538 /nfs/dbraw/zinc/49/65/38/301496538.db2.gz GZPZVKUZWIDAJF-MRXNPFEDSA-N -1 3 285.387 3.414 20 0 CGADHM Cc1csc(N(C)C(=O)Cc2ccc([O-])cc2Cl)n1 ZINC000152028086 321691692 /nfs/dbraw/zinc/69/16/92/321691692.db2.gz COANPYNFFKUFCH-UHFFFAOYSA-N -1 3 296.779 3.016 20 0 CGADHM CNc1snc(C)c1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000153420220 321719511 /nfs/dbraw/zinc/71/95/11/321719511.db2.gz CEPRHQKYGZMHRA-UHFFFAOYSA-N -1 3 297.767 3.105 20 0 CGADHM CSc1ccc(CNC(=O)c2cccc(C)c2[O-])cc1 ZINC000261376902 321949823 /nfs/dbraw/zinc/94/98/23/321949823.db2.gz NSDKGGLTQUQBNO-UHFFFAOYSA-N -1 3 287.384 3.353 20 0 CGADHM O=c1cc(-c2noc(-c3ccc(C4CCC4)cc3)n2)nc[n-]1 ZINC000563122327 321978375 /nfs/dbraw/zinc/97/83/75/321978375.db2.gz HWNLGYVMSLHTPJ-UHFFFAOYSA-N -1 3 294.314 3.167 20 0 CGADHM Cc1cc(C(=O)N(Cc2ccccn2)C(C)C)ccc1[O-] ZINC000563872013 322013846 /nfs/dbraw/zinc/01/38/46/322013846.db2.gz XVPOACRVUNGYRS-UHFFFAOYSA-N -1 3 284.359 3.146 20 0 CGADHM Cc1ccccc1[C@@H](C)N(C)Cc1occc1C(=O)[O-] ZINC000564091708 322019988 /nfs/dbraw/zinc/01/99/88/322019988.db2.gz BOMABOOLIUHUOW-GFCCVEGCSA-N -1 3 273.332 3.479 20 0 CGADHM [O-]c1cccnc1CNC1(c2ccc(Cl)cc2)CC1 ZINC000564499623 322032772 /nfs/dbraw/zinc/03/27/72/322032772.db2.gz WRCVZEPMQHYYOI-UHFFFAOYSA-N -1 3 274.751 3.220 20 0 CGADHM CC1CCC(Cc2nc(-c3ccc4n[n-]nc4c3)no2)CC1 ZINC000564861993 322046686 /nfs/dbraw/zinc/04/66/86/322046686.db2.gz CCONFEZLIKBWCM-UHFFFAOYSA-N -1 3 297.362 3.377 20 0 CGADHM CC(C)CCC1CCN(Cc2ccc(C(=O)[O-])cn2)CC1 ZINC000565107417 322060979 /nfs/dbraw/zinc/06/09/79/322060979.db2.gz YNLLHIUBOOKNTP-UHFFFAOYSA-N -1 3 290.407 3.428 20 0 CGADHM CC(C)CC[C@@H](NC(=O)Cc1cncc([O-])c1)C(C)(C)C ZINC000565216387 322066764 /nfs/dbraw/zinc/06/67/64/322066764.db2.gz XGBVCLVEOJTINV-OAHLLOKOSA-N -1 3 292.423 3.297 20 0 CGADHM O=C([O-])C[C@@H](NCc1ccc(C2CC2)cc1)c1ccncc1 ZINC000565842609 322093965 /nfs/dbraw/zinc/09/39/65/322093965.db2.gz IBBANHGGMMTZSO-QGZVFWFLSA-N -1 3 296.370 3.265 20 0 CGADHM O=C([O-])C[C@H](NCc1ccc(C2CC2)cc1)c1ccncc1 ZINC000565842608 322094116 /nfs/dbraw/zinc/09/41/16/322094116.db2.gz IBBANHGGMMTZSO-KRWDZBQOSA-N -1 3 296.370 3.265 20 0 CGADHM CC(=O)c1cccc(NC(=O)CC2CC(C)(C)C2)c1[O-] ZINC000567956622 322185885 /nfs/dbraw/zinc/18/58/85/322185885.db2.gz UAIRZFNISVOSOS-UHFFFAOYSA-N -1 3 275.348 3.360 20 0 CGADHM C[C@@H]1CN([C@@H](C(=O)[O-])c2cccc(Cl)c2)C[C@@H](C)S1 ZINC000568062002 322191273 /nfs/dbraw/zinc/19/12/73/322191273.db2.gz ZNUJUJNARYWTKO-GIPNMCIBSA-N -1 3 299.823 3.292 20 0 CGADHM CCC(C)(C)[C@@H]1CCCN1Cc1noc(C)c1C(=O)[O-] ZINC000568520582 322212319 /nfs/dbraw/zinc/21/23/19/322212319.db2.gz HIDGRFFBJJCXHV-LBPRGKRZSA-N -1 3 280.368 3.082 20 0 CGADHM CC[C@@H]1C[C@H]1C(=O)Nc1nnc(-c2cc3ccccc3o2)[n-]1 ZINC000568833334 322223916 /nfs/dbraw/zinc/22/39/16/322223916.db2.gz YGWYLZJCCFDEKF-MWLCHTKSSA-N -1 3 296.330 3.203 20 0 CGADHM CC[C@@H]1C[C@H]1C(=O)Nc1nc(-c2cc3ccccc3o2)n[n-]1 ZINC000568833334 322223918 /nfs/dbraw/zinc/22/39/18/322223918.db2.gz YGWYLZJCCFDEKF-MWLCHTKSSA-N -1 3 296.330 3.203 20 0 CGADHM CC[C@@H]1C[C@H]1C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000568833334 322223920 /nfs/dbraw/zinc/22/39/20/322223920.db2.gz YGWYLZJCCFDEKF-MWLCHTKSSA-N -1 3 296.330 3.203 20 0 CGADHM Cc1cccc([C@H]2CCCN2Cc2ccc(C(=O)[O-])cc2)n1 ZINC000569082493 322234281 /nfs/dbraw/zinc/23/42/81/322234281.db2.gz OFBPOXITSZYBIO-QGZVFWFLSA-N -1 3 296.370 3.425 20 0 CGADHM CCC[C@H](C(=O)N=c1cc2ccccn2[n-]1)c1ccccc1 ZINC000569518105 322249200 /nfs/dbraw/zinc/24/92/00/322249200.db2.gz FOSWEAXPRWMWQU-INIZCTEOSA-N -1 3 293.370 3.279 20 0 CGADHM Cc1cc(CN(C)CC2(c3ccccc3)CC2)oc1C(=O)[O-] ZINC000570051204 322263905 /nfs/dbraw/zinc/26/39/05/322263905.db2.gz MNIZXCYMFWXNAM-UHFFFAOYSA-N -1 3 299.370 3.450 20 0 CGADHM CC(C)[C@H]1CC[C@H](C(=O)N=c2cc3ccccn3[n-]2)CC1 ZINC000570352083 322271481 /nfs/dbraw/zinc/27/14/81/322271481.db2.gz OKMOVMQNIPJHNP-HDJSIYSDSA-N -1 3 285.391 3.157 20 0 CGADHM CCC[C@]1(COC)CCCN1Cc1cc(C(=O)[O-])c(C)o1 ZINC000570403404 322272782 /nfs/dbraw/zinc/27/27/82/322272782.db2.gz NHVHDZPASAKCKA-MRXNPFEDSA-N -1 3 295.379 3.067 20 0 CGADHM C[C@H]1CC[C@@](CNCc2ccc(F)cc2F)(CC(=O)[O-])C1 ZINC000570776057 322282045 /nfs/dbraw/zinc/28/20/45/322282045.db2.gz QVXNQTNUOIQMOP-ZBEGNZNMSA-N -1 3 297.345 3.336 20 0 CGADHM Cc1oc(CN([C@@H](C)C2CC2)C2CC2)cc1C(=O)[O-] ZINC000571097432 322289829 /nfs/dbraw/zinc/28/98/29/322289829.db2.gz VKOPQTGXJLLCSB-VIFPVBQESA-N -1 3 263.337 3.049 20 0 CGADHM CC(C)(C)[C@H](NC(=O)Cc1cncc([O-])c1)c1ccccc1 ZINC000571416104 322298342 /nfs/dbraw/zinc/29/83/42/322298342.db2.gz HGWIWBIXBQPZHJ-QGZVFWFLSA-N -1 3 298.386 3.233 20 0 CGADHM O=C([O-])C1CCN([C@H]2CCc3ccc(Cl)cc32)CC1 ZINC000571812180 322308194 /nfs/dbraw/zinc/30/81/94/322308194.db2.gz ZDRMVYNYPXZYGR-AWEZNQCLSA-N -1 3 279.767 3.124 20 0 CGADHM Cc1c([N-]c2nc3ccccc3o2)cnn1[C@H]1CCOC1 ZINC000572811365 322355718 /nfs/dbraw/zinc/35/57/18/322355718.db2.gz DGDIONKYWQIAEJ-NSHDSACASA-N -1 3 284.319 3.038 20 0 CGADHM CC(C)c1scnc1[N-]C(=O)c1cc(C2CC2)on1 ZINC000572877309 322358986 /nfs/dbraw/zinc/35/89/86/322358986.db2.gz UHVGWJXRCMWOGO-UHFFFAOYSA-N -1 3 277.349 3.384 20 0 CGADHM Cc1ccncc1CN(CCCC(=O)[O-])Cc1ccccc1 ZINC000572889159 322360346 /nfs/dbraw/zinc/36/03/46/322360346.db2.gz BJRCQXCRAWBRBX-UHFFFAOYSA-N -1 3 298.386 3.257 20 0 CGADHM COc1ccc(NC(=O)c2ccc(C)c(C(C)=O)c2)c([O-])c1 ZINC000573057590 322368112 /nfs/dbraw/zinc/36/81/12/322368112.db2.gz HDRGCXPEATZGFI-UHFFFAOYSA-N -1 3 299.326 3.164 20 0 CGADHM CCCc1occc1C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000573486496 322390231 /nfs/dbraw/zinc/39/02/31/322390231.db2.gz DBWFSXWMKDSEKE-UHFFFAOYSA-N -1 3 287.315 3.393 20 0 CGADHM O=C([O-])c1ccc(CN2C[C@H]3CCC[C@@H]3C2)cc1Cl ZINC000578019152 327295637 /nfs/dbraw/zinc/29/56/37/327295637.db2.gz MBKNSPAATAEVHH-VXGBXAGGSA-N -1 3 279.767 3.270 20 0 CGADHM CCc1cccc(C(=O)N2CC(CC)(CC)C2)c1[O-] ZINC000582260016 328852882 /nfs/dbraw/zinc/85/28/82/328852882.db2.gz AHFHVTOCEYEHNL-UHFFFAOYSA-N -1 3 261.365 3.217 20 0 CGADHM CS[C@@H](C)CC(=O)Nc1c([O-])cccc1Cl ZINC000582635191 329120019 /nfs/dbraw/zinc/12/00/19/329120019.db2.gz LISCEADXRNIIAZ-ZETCQYMHSA-N -1 3 259.758 3.126 20 0 CGADHM COc1ccc(Cl)cc1CN1C[C@@H](C(=O)[O-])CC[C@H]1C ZINC000397112558 329343495 /nfs/dbraw/zinc/34/34/95/329343495.db2.gz SKIFUUHLCJKIRM-MNOVXSKESA-N -1 3 297.782 3.034 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N2CC[C@@](C)(c3ccccc3)C2)n1 ZINC000583243213 329393019 /nfs/dbraw/zinc/39/30/19/329393019.db2.gz FHDBJOCPUYLLHI-KBXCAEBGSA-N -1 3 297.402 3.215 20 0 CGADHM CCCC(C)(C)CC(=O)Nc1nc(C)[n-]c1C(=O)OCC ZINC000576170074 335164454 /nfs/dbraw/zinc/16/44/54/335164454.db2.gz ONIAKANIILYDFX-UHFFFAOYSA-N -1 3 295.383 3.050 20 0 CGADHM CCCC(C)(C)CC(=O)Nc1[n-]c(C)nc1C(=O)OCC ZINC000576170074 335164455 /nfs/dbraw/zinc/16/44/55/335164455.db2.gz ONIAKANIILYDFX-UHFFFAOYSA-N -1 3 295.383 3.050 20 0 CGADHM Cc1sc(C(=O)[O-])cc1CN1CCS[C@@H](C(C)C)C1 ZINC000576166277 335163564 /nfs/dbraw/zinc/16/35/64/335163564.db2.gz MMAYCGYBZJTXLN-CYBMUJFWSA-N -1 3 299.461 3.328 20 0 CGADHM CCOc1ccccc1C(=O)Nc1cc(F)ccc1[O-] ZINC000174897765 335168841 /nfs/dbraw/zinc/16/88/41/335168841.db2.gz YKDKZTLNQALHCR-UHFFFAOYSA-N -1 3 275.279 3.182 20 0 CGADHM Cc1ccc(O[C@H](C)C(=O)Nc2cc(F)ccc2[O-])cc1 ZINC000174904874 335169237 /nfs/dbraw/zinc/16/92/37/335169237.db2.gz HTAFDWCUIOXIKR-LLVKDONJSA-N -1 3 289.306 3.246 20 0 CGADHM Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2[O-])cn1 ZINC000175822916 335205061 /nfs/dbraw/zinc/20/50/61/335205061.db2.gz FVPOIHMGIVTFQI-UHFFFAOYSA-N -1 3 296.248 3.367 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])C1(Cc2ccccc2)CC1 ZINC000176319507 335261946 /nfs/dbraw/zinc/26/19/46/335261946.db2.gz IZISRPVSCFWFTI-UHFFFAOYSA-N -1 3 285.318 3.493 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N2CCC3(C2)CCCCC3)n1 ZINC000192602375 335281507 /nfs/dbraw/zinc/28/15/07/335281507.db2.gz LHLVKCAPGDVIBG-ZDUSSCGKSA-N -1 3 275.396 3.208 20 0 CGADHM Cc1cccc(C)c1CN[C@@H](CC(=O)[O-])c1ccncc1 ZINC000577509229 335362374 /nfs/dbraw/zinc/36/23/74/335362374.db2.gz BVLYARPMBAVHLF-INIZCTEOSA-N -1 3 284.359 3.004 20 0 CGADHM O=C([N-]c1c(F)cc(Cl)cc1F)c1cscn1 ZINC000180333971 335572742 /nfs/dbraw/zinc/57/27/42/335572742.db2.gz OXCPMVVXYLBQBK-UHFFFAOYSA-N -1 3 274.679 3.327 20 0 CGADHM Cc1cccc2c1ncc(C)c2N1CC[C@@H](C(=O)[O-])[C@@H]1C ZINC000579597727 335817971 /nfs/dbraw/zinc/81/79/71/335817971.db2.gz BCLPQZPRTWCWEJ-QWHCGFSZSA-N -1 3 284.359 3.151 20 0 CGADHM Cc1cc(C(=O)Nc2ccc3c(c2)CCCO3)ccc1[O-] ZINC000383680748 336116568 /nfs/dbraw/zinc/11/65/68/336116568.db2.gz ZESOTESYDUHJPX-UHFFFAOYSA-N -1 3 283.327 3.278 20 0 CGADHM Cc1cc([C@H](C)N2CCS[C@H](C(C)C)C2)oc1C(=O)[O-] ZINC000581948954 336175033 /nfs/dbraw/zinc/17/50/33/336175033.db2.gz IIMHRGWOBUTKPD-AAEUAGOBSA-N -1 3 297.420 3.421 20 0 CGADHM C[C@H](CC1CC1)NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436970166 533766540 /nfs/dbraw/zinc/76/65/40/533766540.db2.gz CCNVWSGVGJARPR-SNVBAGLBSA-N -1 3 289.375 3.024 20 0 CGADHM CSCc1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000436608244 533872664 /nfs/dbraw/zinc/87/26/64/533872664.db2.gz GYXYMXAPXWFFOC-UHFFFAOYSA-N -1 3 272.329 3.458 20 0 CGADHM CS[C@@H](C)CCc1nc(-c2ccc([O-])cc2)no1 ZINC000436784305 533907257 /nfs/dbraw/zinc/90/72/57/533907257.db2.gz PIOSYFBXPQEWJE-VIFPVBQESA-N -1 3 264.350 3.126 20 0 CGADHM Cc1cc(-c2noc(-c3ccc(C)c(C)c3[O-])n2)ccn1 ZINC000436964316 534000794 /nfs/dbraw/zinc/00/07/94/534000794.db2.gz ICRZCENGYWEVQN-UHFFFAOYSA-N -1 3 281.315 3.429 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N[C@H](C)c2ccc(C)c(F)c2)n1 ZINC000192762276 534018724 /nfs/dbraw/zinc/01/87/24/534018724.db2.gz FWJCPTMDPLZCIL-NEPJUHHUSA-N -1 3 289.354 3.350 20 0 CGADHM COc1cc(F)ccc1NC(=O)c1ccc(C)c(C)c1[O-] ZINC000436759402 534025241 /nfs/dbraw/zinc/02/52/41/534025241.db2.gz AWTVRIITEKYQLO-UHFFFAOYSA-N -1 3 289.306 3.409 20 0 CGADHM Cc1ccc(-c2nnc(NC(=O)C[C@@H](C)C(C)(C)C)[n-]2)o1 ZINC000359014457 534200266 /nfs/dbraw/zinc/20/02/66/534200266.db2.gz AVZHSCUICFCLKI-SECBINFHSA-N -1 3 290.367 3.384 20 0 CGADHM Cc1ccc(-c2n[n-]c(NC(=O)C[C@@H](C)C(C)(C)C)n2)o1 ZINC000359014457 534200270 /nfs/dbraw/zinc/20/02/70/534200270.db2.gz AVZHSCUICFCLKI-SECBINFHSA-N -1 3 290.367 3.384 20 0 CGADHM Cc1ccc(-c2nc(NC(=O)C[C@@H](C)C(C)(C)C)n[n-]2)o1 ZINC000359014457 534200277 /nfs/dbraw/zinc/20/02/77/534200277.db2.gz AVZHSCUICFCLKI-SECBINFHSA-N -1 3 290.367 3.384 20 0 CGADHM O=C(Nc1cccc(O)c1)c1cc2c(cc1[O-])CCCC2 ZINC000436752314 534361486 /nfs/dbraw/zinc/36/14/86/534361486.db2.gz ARXPTFLXZBCPCA-UHFFFAOYSA-N -1 3 283.327 3.229 20 0 CGADHM Cc1nc(CNC[C@H]2CCCC[C@@H]2C)sc1C(=O)[O-] ZINC000426676719 534387624 /nfs/dbraw/zinc/38/76/24/534387624.db2.gz GAFWUBHCLQQCJW-GXSJLCMTSA-N -1 3 282.409 3.066 20 0 CGADHM Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1ccc(C)cc1[O-] ZINC000436673688 534415513 /nfs/dbraw/zinc/41/55/13/534415513.db2.gz FXKLMRZERNCSLU-INIZCTEOSA-N -1 3 281.355 3.426 20 0 CGADHM [O-]c1ccc(-c2noc(CC3(C(F)(F)F)CC3)n2)cc1 ZINC000436948032 534451431 /nfs/dbraw/zinc/45/14/31/534451431.db2.gz NNFMARAQWONSBK-UHFFFAOYSA-N -1 3 284.237 3.327 20 0 CGADHM O=C([O-])Cc1ccccc1CNCc1cccc(C2CC2)c1 ZINC000421817648 534507532 /nfs/dbraw/zinc/50/75/32/534507532.db2.gz WDYFOHSPWPBBMZ-UHFFFAOYSA-N -1 3 295.382 3.481 20 0 CGADHM CCC1(CC)CCN(C(=O)c2cc(OC)ccc2[O-])C1 ZINC000094803796 521687052 /nfs/dbraw/zinc/68/70/52/521687052.db2.gz XPLMMRZPPWXQGX-UHFFFAOYSA-N -1 3 277.364 3.053 20 0 CGADHM Cc1cccc(C(=O)N2CC[C@@H](CC(C)C)C2)c1[O-] ZINC000174065772 534595022 /nfs/dbraw/zinc/59/50/22/534595022.db2.gz LXPVGPMNKBDROG-ZDUSSCGKSA-N -1 3 261.365 3.209 20 0 CGADHM Cc1cccc(C(=O)NC[C@@H](C)c2ccccc2)c1[O-] ZINC000157472591 534607204 /nfs/dbraw/zinc/60/72/04/534607204.db2.gz JHYVIMIPMAFIIT-CYBMUJFWSA-N -1 3 269.344 3.234 20 0 CGADHM COc1cc(C)cc(-c2nc(C3CCCC3)no2)c1[O-] ZINC000184844015 522231954 /nfs/dbraw/zinc/23/19/54/522231954.db2.gz KOJQDGUUSMRALE-UHFFFAOYSA-N -1 3 274.320 3.417 20 0 CGADHM C[C@@H]1[C@@H](C)CCCN1Cc1ccc(C(=O)[O-])cc1F ZINC000062752921 525641458 /nfs/dbraw/zinc/64/14/58/525641458.db2.gz WSUMSLFJYXFZNS-WDEREUQCSA-N -1 3 265.328 3.144 20 0 CGADHM Cc1ccc(C(=O)N2CCC[C@@H]3CCC[C@@H]32)c([O-])c1 ZINC000087777688 526101954 /nfs/dbraw/zinc/10/19/54/526101954.db2.gz AQPUGQMRMMRJOZ-JSGCOSHPSA-N -1 3 259.349 3.105 20 0 CGADHM C/C=C/c1ccc(NC(=O)c2c[n-]c(C(=O)OC)c2)cc1 ZINC000354938300 526303782 /nfs/dbraw/zinc/30/37/82/526303782.db2.gz APTJEGYZYMZZJX-ONEGZZNKSA-N -1 3 284.315 3.087 20 0 CGADHM [O-]c1cc(F)cc(CN2CCC(C(F)(F)F)CC2)c1 ZINC000184150481 526333217 /nfs/dbraw/zinc/33/32/17/526333217.db2.gz ZIGIIVYAXKVOMB-UHFFFAOYSA-N -1 3 277.261 3.306 20 0 CGADHM [O-]c1ccc(CNc2cc(Cl)nc(C3CC3)n2)cc1F ZINC000271176873 526345243 /nfs/dbraw/zinc/34/52/43/526345243.db2.gz LIPJUZYVWJINRB-UHFFFAOYSA-N -1 3 293.729 3.464 20 0 CGADHM CC1(C)C[C@H](NC(=O)c2ccc(O)cc2[O-])c2ccccc21 ZINC000436631892 527739927 /nfs/dbraw/zinc/73/99/27/527739927.db2.gz XNXLHTPKHLQWAH-HNNXBMFYSA-N -1 3 297.354 3.250 20 0 CGADHM CC(C)[C@H]1CCN(C(=O)c2ccc3c(c2[O-])CCCC3)C1 ZINC000436975012 527797943 /nfs/dbraw/zinc/79/79/43/527797943.db2.gz FQCJTWYQVJVGTM-AWEZNQCLSA-N -1 3 287.403 3.389 20 0 CGADHM CCCN(C)Cc1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000436608291 527853262 /nfs/dbraw/zinc/85/32/62/527853262.db2.gz HEINGJXMMRCUOZ-UHFFFAOYSA-N -1 3 297.358 3.437 20 0 CGADHM CC(C)OCCCCNC(=O)c1ccc(C(C)C)cc1[O-] ZINC000436805325 527929667 /nfs/dbraw/zinc/92/96/67/527929667.db2.gz RPZRZEJCASFXTE-UHFFFAOYSA-N -1 3 293.407 3.451 20 0 CGADHM CC(C)c1cc(-c2nc(-c3ccc([O-])cc3)no2)on1 ZINC000436575371 528005522 /nfs/dbraw/zinc/00/55/22/528005522.db2.gz IQPAXPMZFUHNIW-UHFFFAOYSA-N -1 3 271.276 3.221 20 0 CGADHM CC(C)c1ccc(C(=O)N2CC[C@](C)(F)C2)c([O-])c1 ZINC000436968300 528065705 /nfs/dbraw/zinc/06/57/05/528065705.db2.gz ZZYSDPIIKRSJFD-HNNXBMFYSA-N -1 3 265.328 3.090 20 0 CGADHM CCN(CC)c1ccc(NC(=O)c2ccc([O-])c(C)c2)cn1 ZINC000436926107 528312038 /nfs/dbraw/zinc/31/20/38/528312038.db2.gz MEZKGRLRTRZDLX-UHFFFAOYSA-N -1 3 299.374 3.194 20 0 CGADHM CCN(CC1CCC1)C(=O)Cc1ccc([O-])cc1Cl ZINC000358175032 528339759 /nfs/dbraw/zinc/33/97/59/528339759.db2.gz CLFNSXBODGZGRU-UHFFFAOYSA-N -1 3 281.783 3.237 20 0 CGADHM CCC[C@H]1CCCN(C(=O)c2ccc([O-])c(C)c2)C1 ZINC000436940354 528376084 /nfs/dbraw/zinc/37/60/84/528376084.db2.gz VUTHJKFNIWFGSO-ZDUSSCGKSA-N -1 3 261.365 3.353 20 0 CGADHM CCOc1ccc(NC(=O)c2ccc(C(C)=O)c([O-])c2)cc1 ZINC000436847211 528549508 /nfs/dbraw/zinc/54/95/08/528549508.db2.gz OYEPVCULJWSYBU-UHFFFAOYSA-N -1 3 299.326 3.246 20 0 CGADHM CCOc1cccc(CCNC(=O)c2cccc(C)c2[O-])c1 ZINC000436609080 528641344 /nfs/dbraw/zinc/64/13/44/528641344.db2.gz VITNJCDVCGNTKG-UHFFFAOYSA-N -1 3 299.370 3.072 20 0 CGADHM CCCCOc1ccc(C(=O)N2C[C@@H](C)[C@H]2C)c([O-])c1 ZINC000436635210 528662704 /nfs/dbraw/zinc/66/27/04/528662704.db2.gz NCZPAPILZYUWEP-VXGBXAGGSA-N -1 3 277.364 3.052 20 0 CGADHM CCOc1cccc([C@H]2C[C@@H]2NC(=O)c2ccccc2[O-])c1 ZINC000436699624 528690868 /nfs/dbraw/zinc/69/08/68/528690868.db2.gz VRTWLQRRPJLQQO-CVEARBPZSA-N -1 3 297.354 3.077 20 0 CGADHM CCCOc1cccnc1-c1nc(-c2ccc([O-])cc2)no1 ZINC000436867778 528775769 /nfs/dbraw/zinc/77/57/69/528775769.db2.gz DHMITHSYSNMVOU-UHFFFAOYSA-N -1 3 297.314 3.293 20 0 CGADHM CC(C)N(Cc1ccco1)C(=O)Cc1ccc([O-])c(F)c1 ZINC000448820123 528956631 /nfs/dbraw/zinc/95/66/31/528956631.db2.gz YTKJSGZCQAVISE-UHFFFAOYSA-N -1 3 291.322 3.104 20 0 CGADHM CCN(C(=O)NCc1ccc([O-])c(F)c1)C1CC(C)(C)C1 ZINC000413308053 529002319 /nfs/dbraw/zinc/00/23/19/529002319.db2.gz JFQIPVLNGONLRU-UHFFFAOYSA-N -1 3 294.370 3.251 20 0 CGADHM CCS[C@@H]1CCC[C@@H](NC(=O)c2ccc([O-])c(C)c2)C1 ZINC000436927517 529213059 /nfs/dbraw/zinc/21/30/59/529213059.db2.gz RRQMJGBERWSKJG-ZIAGYGMSSA-N -1 3 293.432 3.495 20 0 CGADHM CCS[C@@H]1CCC[C@H]1NC(=O)c1ccc([O-])c(CC)c1 ZINC000436653494 529217590 /nfs/dbraw/zinc/21/75/90/529217590.db2.gz FHFSJZXWQGKARK-UKRRQHHQSA-N -1 3 293.432 3.359 20 0 CGADHM CC[C@H](C)[C@H](C)N(C(=O)Cc1ccc([O-])c(F)c1)C1CC1 ZINC000448908333 529237216 /nfs/dbraw/zinc/23/72/16/529237216.db2.gz GADWUBNYFVQCPV-RYUDHWBXSA-N -1 3 293.382 3.499 20 0 CGADHM CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccccc1[O-] ZINC000175152274 529250723 /nfs/dbraw/zinc/25/07/23/529250723.db2.gz YMCMZNGVNMLJJR-CQSZACIVSA-N -1 3 289.306 3.327 20 0 CGADHM CC[C@H](C)n1nc(C(=O)Nc2cc(F)ccc2[O-])cc1C ZINC000437008085 529287163 /nfs/dbraw/zinc/28/71/63/529287163.db2.gz ZWOUQWVIUKOTEE-VIFPVBQESA-N -1 3 291.326 3.260 20 0 CGADHM CC[C@@H](C(=O)Nc1ccc([O-])cc1F)c1c(C)noc1C ZINC000358153753 529291895 /nfs/dbraw/zinc/29/18/95/529291895.db2.gz QAMFPVZCYBXOPO-LLVKDONJSA-N -1 3 292.310 3.268 20 0 CGADHM CC[C@H](CCC(=O)[O-])NCc1nc2c(s1)C[C@H](C)CC2 ZINC000417620251 529322630 /nfs/dbraw/zinc/32/26/30/529322630.db2.gz IUAOSRFKTAPMQC-GHMZBOCLSA-N -1 3 296.436 3.001 20 0 CGADHM CC[C@H](C[N-]S(=O)(=O)c1ccc(C)o1)c1ccccc1 ZINC000358460311 529362745 /nfs/dbraw/zinc/36/27/45/529362745.db2.gz HPPILMDGGUSPMY-CYBMUJFWSA-N -1 3 293.388 3.060 20 0 CGADHM CCc1cc(C(=O)N2CC[C@@H](CC(C)C)C2)ccc1[O-] ZINC000486544784 536111904 /nfs/dbraw/zinc/11/19/04/536111904.db2.gz KZVKGSHPBIBWJA-ZDUSSCGKSA-N -1 3 275.392 3.463 20 0 CGADHM CCc1cc(C(=O)N2C[C@@H](C3CC3)[C@@H]2C2CC2)ccc1[O-] ZINC000456257185 536115079 /nfs/dbraw/zinc/11/50/79/536115079.db2.gz QIIPBFQGUOFKKZ-RDJZCZTQSA-N -1 3 285.387 3.215 20 0 CGADHM CCc1cc(C(=O)NCCc2ccccc2C)ccc1[O-] ZINC000485577408 536122938 /nfs/dbraw/zinc/12/29/38/536122938.db2.gz BJXOJQHTQNTKEE-UHFFFAOYSA-N -1 3 283.371 3.236 20 0 CGADHM COc1ccc([O-])c(C(=O)N2C[C@H](C(C)C)[C@@H]2C(C)C)c1 ZINC000456308262 536819436 /nfs/dbraw/zinc/81/94/36/536819436.db2.gz YKQSMRVFCHOSQB-ZBFHGGJFSA-N -1 3 291.391 3.153 20 0 CGADHM CC[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(OC)cc1[O-] ZINC000451025892 571717733 /nfs/dbraw/zinc/71/77/33/571717733.db2.gz LVACLCOSTFGXNT-PWSUYJOCSA-N -1 3 263.337 3.166 20 0 CGADHM Fc1cccc(Nc2ccc3[nH]ccc3c2)c1-c1nnn[n-]1 ZINC000737665788 571682816 /nfs/dbraw/zinc/68/28/16/571682816.db2.gz VHCHEAMDRKZTHM-UHFFFAOYSA-N -1 3 294.293 3.231 20 0 CGADHM Fc1cccc(Nc2ccc3[nH]ccc3c2)c1-c1nn[n-]n1 ZINC000737665788 571682820 /nfs/dbraw/zinc/68/28/20/571682820.db2.gz VHCHEAMDRKZTHM-UHFFFAOYSA-N -1 3 294.293 3.231 20 0 CGADHM Cc1cc(CN2CCC(CN(C)C(=O)[O-])CC2)c(C)s1 ZINC000740082670 571685160 /nfs/dbraw/zinc/68/51/60/571685160.db2.gz ZSCMHIBMZJRQBZ-UHFFFAOYSA-N -1 3 296.436 3.187 20 0 CGADHM Cc1ccc2c(c1)N(C([O-])=NOCc1ccccc1)CC2 ZINC000728752275 571817846 /nfs/dbraw/zinc/81/78/46/571817846.db2.gz JKRKTZCUBFDFOC-UHFFFAOYSA-N -1 3 282.343 3.199 20 0 CGADHM Cc1ccc2c(c1)N(C(=O)[N-]OCc1ccccc1)CC2 ZINC000728752275 571817847 /nfs/dbraw/zinc/81/78/47/571817847.db2.gz JKRKTZCUBFDFOC-UHFFFAOYSA-N -1 3 282.343 3.199 20 0 CGADHM COc1ccc2c(c1)CCCN2C(=O)c1cc2occc2[n-]1 ZINC000750828965 572329348 /nfs/dbraw/zinc/32/93/48/572329348.db2.gz JVFDZVDJNRSNCF-UHFFFAOYSA-N -1 3 296.326 3.363 20 0 CGADHM O=C(Nc1ncccc1OC(F)F)c1cc2occc2[n-]1 ZINC000750864490 572330572 /nfs/dbraw/zinc/33/05/72/572330572.db2.gz MJKDBQXAWIXGKK-UHFFFAOYSA-N -1 3 293.229 3.010 20 0 CGADHM Cc1cccc(CNc2cc(Cl)ccc2-c2nnn[n-]2)c1 ZINC000737392964 572339403 /nfs/dbraw/zinc/33/94/03/572339403.db2.gz CMQZRTUCGKLFAR-UHFFFAOYSA-N -1 3 299.765 3.441 20 0 CGADHM Cc1cccc(CNc2cc(Cl)ccc2-c2nn[n-]n2)c1 ZINC000737392964 572339404 /nfs/dbraw/zinc/33/94/04/572339404.db2.gz CMQZRTUCGKLFAR-UHFFFAOYSA-N -1 3 299.765 3.441 20 0 CGADHM CN(C)c1ccccc1CN(C)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737385752 572339598 /nfs/dbraw/zinc/33/95/98/572339598.db2.gz JKYGQHBRQWAJRG-QGZVFWFLSA-N -1 3 298.386 3.010 20 0 CGADHM CN(CCc1ccc(Cl)cc1)Cc1cc(C(=O)[O-])co1 ZINC000737447321 572343620 /nfs/dbraw/zinc/34/36/20/572343620.db2.gz WDIIHLVORYYZTL-UHFFFAOYSA-N -1 3 293.750 3.306 20 0 CGADHM Clc1cc(N[C@H]2CC=CCC2)ccc1-c1nnn[n-]1 ZINC000737563022 572348415 /nfs/dbraw/zinc/34/84/15/572348415.db2.gz CKBLWEYAYNMVMM-VIFPVBQESA-N -1 3 275.743 3.041 20 0 CGADHM Clc1cc(N[C@H]2CC=CCC2)ccc1-c1nn[n-]n1 ZINC000737563022 572348417 /nfs/dbraw/zinc/34/84/17/572348417.db2.gz CKBLWEYAYNMVMM-VIFPVBQESA-N -1 3 275.743 3.041 20 0 CGADHM CN(C)c1ccc([C@@H]2C[C@H]2C(=O)Nc2ccccc2[O-])cc1 ZINC000730585605 572364910 /nfs/dbraw/zinc/36/49/10/572364910.db2.gz ZYPROVXVJOBQOY-LSDHHAIUSA-N -1 3 296.370 3.200 20 0 CGADHM Fc1ccc(CSc2ccccc2)c(-c2nnn[n-]2)c1 ZINC000737648405 572379862 /nfs/dbraw/zinc/37/98/62/572379862.db2.gz JYXAUVRPXUYGKH-UHFFFAOYSA-N -1 3 286.335 3.298 20 0 CGADHM Fc1ccc(CSc2ccccc2)c(-c2nn[n-]n2)c1 ZINC000737648405 572379867 /nfs/dbraw/zinc/37/98/67/572379867.db2.gz JYXAUVRPXUYGKH-UHFFFAOYSA-N -1 3 286.335 3.298 20 0 CGADHM Cc1ccc(CN[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1F ZINC000738602155 572381818 /nfs/dbraw/zinc/38/18/18/572381818.db2.gz IVAFXBSVUJFKFU-OAHLLOKOSA-N -1 3 291.297 3.189 20 0 CGADHM C[C@H](NC[C@H]1CCCN(C(=O)[O-])C1)c1ccc(F)cc1F ZINC000739034814 572399611 /nfs/dbraw/zinc/39/96/11/572399611.db2.gz MOLPFNIUDQCBIQ-WDEREUQCSA-N -1 3 298.333 3.005 20 0 CGADHM O=C(OCc1ccc(C(F)(F)F)cc1)c1cncc([O-])c1 ZINC000731914318 572436294 /nfs/dbraw/zinc/43/62/94/572436294.db2.gz DMPLMFJEVFOFMB-UHFFFAOYSA-N -1 3 297.232 3.163 20 0 CGADHM CCCCCC[C@H](C)C(=O)Nc1nnc(SC)[n-]1 ZINC000742059156 572551511 /nfs/dbraw/zinc/55/15/11/572551511.db2.gz GYSULPNUXRLFQQ-VIFPVBQESA-N -1 3 270.402 3.072 20 0 CGADHM CCCCCC[C@H](C)C(=O)Nc1nc(SC)n[n-]1 ZINC000742059156 572551516 /nfs/dbraw/zinc/55/15/16/572551516.db2.gz GYSULPNUXRLFQQ-VIFPVBQESA-N -1 3 270.402 3.072 20 0 CGADHM CCCCCC[C@H](C)C(=O)Nc1n[n-]c(SC)n1 ZINC000742059156 572551519 /nfs/dbraw/zinc/55/15/19/572551519.db2.gz GYSULPNUXRLFQQ-VIFPVBQESA-N -1 3 270.402 3.072 20 0 CGADHM O=C(OCCOC1CCCCCC1)c1ccc([O-])cc1 ZINC000740945133 572469213 /nfs/dbraw/zinc/46/92/13/572469213.db2.gz LHKRBMJULBYRAH-UHFFFAOYSA-N -1 3 278.348 3.288 20 0 CGADHM Cc1ccc([C@@H](O)CNCc2ccc([O-])c(Cl)c2)cc1 ZINC000733325171 572555016 /nfs/dbraw/zinc/55/50/16/572555016.db2.gz BKLRDWSHJCOSNH-INIZCTEOSA-N -1 3 291.778 3.177 20 0 CGADHM [O-]c1ccc(CNC[C@H](O)c2ccccc2F)cc1Cl ZINC000733325400 572556394 /nfs/dbraw/zinc/55/63/94/572556394.db2.gz LKMYHXDLEXCBHJ-HNNXBMFYSA-N -1 3 295.741 3.008 20 0 CGADHM Cc1ccc(C(=O)NCc2c(C)cccc2F)c([O-])c1C ZINC000743721529 572681505 /nfs/dbraw/zinc/68/15/05/572681505.db2.gz GBZPGGZESUUZMR-UHFFFAOYSA-N -1 3 287.334 3.387 20 0 CGADHM C[C@H](SCc1ccco1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736190664 572770992 /nfs/dbraw/zinc/77/09/92/572770992.db2.gz GKHNPXJGCAMZIO-JTQLQIEISA-N -1 3 286.360 3.454 20 0 CGADHM C[C@H](SCc1ccco1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736190664 572771000 /nfs/dbraw/zinc/77/10/00/572771000.db2.gz GKHNPXJGCAMZIO-JTQLQIEISA-N -1 3 286.360 3.454 20 0 CGADHM C[C@@H](c1ccccc1F)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736205684 572772832 /nfs/dbraw/zinc/77/28/32/572772832.db2.gz XOUFRKHPIZQZDG-NSHDSACASA-N -1 3 297.337 3.203 20 0 CGADHM C[C@@H](c1ccccc1F)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736205684 572772835 /nfs/dbraw/zinc/77/28/35/572772835.db2.gz XOUFRKHPIZQZDG-NSHDSACASA-N -1 3 297.337 3.203 20 0 CGADHM CCC[C@H](C)N(C)c1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000736425279 572789621 /nfs/dbraw/zinc/78/96/21/572789621.db2.gz VJZSKEXTEHNNCS-NSHDSACASA-N -1 3 296.378 3.040 20 0 CGADHM CCC[C@H](C)N(C)c1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000736425279 572789623 /nfs/dbraw/zinc/78/96/23/572789623.db2.gz VJZSKEXTEHNNCS-NSHDSACASA-N -1 3 296.378 3.040 20 0 CGADHM CCc1ccc(C=Cc2ccc(-c3nnn[n-]3)cn2)s1 ZINC000736683432 572804651 /nfs/dbraw/zinc/80/46/51/572804651.db2.gz QYIPQISZDBLXJU-AATRIKPKSA-N -1 3 283.360 3.056 20 0 CGADHM CCc1ccc(C=Cc2ccc(-c3nn[n-]n3)cn2)s1 ZINC000736683432 572804657 /nfs/dbraw/zinc/80/46/57/572804657.db2.gz QYIPQISZDBLXJU-AATRIKPKSA-N -1 3 283.360 3.056 20 0 CGADHM CCc1ccccc1CNc1cccc(F)c1-c1nnn[n-]1 ZINC000736702908 572806364 /nfs/dbraw/zinc/80/63/64/572806364.db2.gz YRMQGQCVNKHOFU-UHFFFAOYSA-N -1 3 297.337 3.180 20 0 CGADHM CCc1ccccc1CNc1cccc(F)c1-c1nn[n-]n1 ZINC000736702908 572806370 /nfs/dbraw/zinc/80/63/70/572806370.db2.gz YRMQGQCVNKHOFU-UHFFFAOYSA-N -1 3 297.337 3.180 20 0 CGADHM CN(Cc1ccccc1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000736828592 572819499 /nfs/dbraw/zinc/81/94/99/572819499.db2.gz PAARJFWOAGXDBB-UHFFFAOYSA-N -1 3 299.765 3.157 20 0 CGADHM CN(Cc1ccccc1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000736828592 572819502 /nfs/dbraw/zinc/81/95/02/572819502.db2.gz PAARJFWOAGXDBB-UHFFFAOYSA-N -1 3 299.765 3.157 20 0 CGADHM CC[C@H](Nc1cccc2c1CN([C@H](C)C(C)C)C2)C(=O)[O-] ZINC000736926157 572826042 /nfs/dbraw/zinc/82/60/42/572826042.db2.gz ZSNPDBYJFWEYOU-DOMZBBRYSA-N -1 3 290.407 3.322 20 0 CGADHM Cc1csc([N-]C(=O)c2c(C)noc2C(F)(F)F)n1 ZINC000746017877 572847695 /nfs/dbraw/zinc/84/76/95/572847695.db2.gz NPPXGMDGQMEZSN-UHFFFAOYSA-N -1 3 291.254 3.019 20 0 CGADHM CCN(CCc1cccs1)Cc1cc(C(=O)[O-])co1 ZINC000737101615 572860743 /nfs/dbraw/zinc/86/07/43/572860743.db2.gz GPTIDERCQOFVCQ-UHFFFAOYSA-N -1 3 279.361 3.104 20 0 CGADHM Cc1cc(-c2nnn[n-]2)ccc1OC/C=C\c1ccccc1 ZINC000737220721 572866035 /nfs/dbraw/zinc/86/60/35/572866035.db2.gz DULYYXZOFVVRDH-YVMONPNESA-N -1 3 292.342 3.267 20 0 CGADHM Cc1cc(-c2nn[n-]n2)ccc1OC/C=C\c1ccccc1 ZINC000737220721 572866036 /nfs/dbraw/zinc/86/60/36/572866036.db2.gz DULYYXZOFVVRDH-YVMONPNESA-N -1 3 292.342 3.267 20 0 CGADHM O=C(OC/C(Cl)=C\Cl)c1ccc(F)cc1[O-] ZINC000750170277 573096962 /nfs/dbraw/zinc/09/69/62/573096962.db2.gz RRYBSGHWUGKOLB-GQCTYLIASA-N -1 3 265.067 3.007 20 0 CGADHM C[C@]1(c2ccccc2)C[C@@H]1Nc1ccc(-c2nn[n-]n2)cc1 ZINC000820636884 599038852 /nfs/dbraw/zinc/03/88/52/599038852.db2.gz VKJBOPJWGZRJRZ-DOTOQJQBSA-N -1 3 291.358 3.009 20 0 CGADHM Cc1ccc([C@H](C)NCc2ccc(C(=O)[O-])cc2)c(C)n1 ZINC000821070319 598160577 /nfs/dbraw/zinc/16/05/77/598160577.db2.gz VZKJWKUFTVOAEN-LBPRGKRZSA-N -1 3 284.359 3.247 20 0 CGADHM Fc1cc(-c2nn[n-]n2)ccc1NC/C=C/c1ccccc1 ZINC000737639514 598794340 /nfs/dbraw/zinc/79/43/40/598794340.db2.gz DWKMPQFZAYMUPY-QPJJXVBHSA-N -1 3 295.321 3.131 20 0 CGADHM Cc1ccc([C@@H](C)N(C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737320518 598815215 /nfs/dbraw/zinc/81/52/15/598815215.db2.gz LZEWUCKIHFONIM-CYBMUJFWSA-N -1 3 293.374 3.373 20 0 CGADHM Clc1cccc(CNc2ccccc2-c2nnn[n-]2)c1 ZINC000737575243 599303589 /nfs/dbraw/zinc/30/35/89/599303589.db2.gz NYYSZICVOVSJAH-UHFFFAOYSA-N -1 3 285.738 3.132 20 0 CGADHM Clc1cccc(CNc2ccccc2-c2nn[n-]n2)c1 ZINC000737575243 599303591 /nfs/dbraw/zinc/30/35/91/599303591.db2.gz NYYSZICVOVSJAH-UHFFFAOYSA-N -1 3 285.738 3.132 20 0 CGADHM CC[C@H](C)Sc1cccc(Cl)c1-c1nn[n-]n1 ZINC000820881544 599349064 /nfs/dbraw/zinc/34/90/64/599349064.db2.gz AETLYYJVFHLSMJ-ZETCQYMHSA-N -1 3 268.773 3.411 20 0 CGADHM CC[C@H](C)Sc1cccc(Cl)c1-c1nnn[n-]1 ZINC000820881544 599349061 /nfs/dbraw/zinc/34/90/61/599349061.db2.gz AETLYYJVFHLSMJ-ZETCQYMHSA-N -1 3 268.773 3.411 20 0 CGADHM COc1ccc(-c2nnn[n-]2)cc1CSC1CCCC1 ZINC000821749439 607375855 /nfs/dbraw/zinc/37/58/55/607375855.db2.gz MDYRGIDWVLXRIL-UHFFFAOYSA-N -1 3 290.392 3.051 20 0 CGADHM COc1ccc(-c2nn[n-]n2)cc1CSC1CCCC1 ZINC000821749439 607375856 /nfs/dbraw/zinc/37/58/56/607375856.db2.gz MDYRGIDWVLXRIL-UHFFFAOYSA-N -1 3 290.392 3.051 20 0 CGADHM C/C(=C/CN(C)Cc1ccccc1C(F)(F)F)C(=O)[O-] ZINC000825729744 601047935 /nfs/dbraw/zinc/04/79/35/601047935.db2.gz MAIBULROUZNDEJ-YFHOEESVSA-N -1 3 287.281 3.168 20 0 CGADHM Cc1oc(-c2cccs2)nc1CNC(C)(C)CC(=O)[O-] ZINC000833024841 602260626 /nfs/dbraw/zinc/26/06/26/602260626.db2.gz RQNVGHANBXEVIE-UHFFFAOYSA-N -1 3 294.376 3.054 20 0 CGADHM C[C@H](CCSc1ccccc1)N1CC[C@@](F)(C(=O)[O-])C1 ZINC000827422116 604436625 /nfs/dbraw/zinc/43/66/25/604436625.db2.gz LQBYJIDVUXYXKS-DOMZBBRYSA-N -1 3 297.395 3.056 20 0 CGADHM C/C(=C/CN[C@@H](C)c1ccccc1Cl)C(=O)[O-] ZINC000235512451 605203495 /nfs/dbraw/zinc/20/34/95/605203495.db2.gz TXHPHWHZBVWAJI-RNKPRXRFSA-N -1 3 253.729 3.022 20 0 CGADHM O=C([O-])Nc1ccc(CN2C3CCCC2CCC3)cn1 ZINC000834259073 605615313 /nfs/dbraw/zinc/61/53/13/605615313.db2.gz RSWBMDMCRFMEDF-UHFFFAOYSA-N -1 3 275.352 3.079 20 0 CGADHM Cc1ccc(NCc2ccc(-c3nnn[n-]3)s2)cc1C ZINC000822255178 606411826 /nfs/dbraw/zinc/41/18/26/606411826.db2.gz XJXNYFFRYVSMOF-UHFFFAOYSA-N -1 3 285.376 3.157 20 0 CGADHM CC(C)=CCNc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000820005357 606478857 /nfs/dbraw/zinc/47/88/57/606478857.db2.gz OHVBOLHXBUXAIH-UHFFFAOYSA-N -1 3 287.367 3.032 20 0 CGADHM CC(C)=CCNc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000820005357 606478859 /nfs/dbraw/zinc/47/88/59/606478859.db2.gz OHVBOLHXBUXAIH-UHFFFAOYSA-N -1 3 287.367 3.032 20 0 CGADHM CCc1ccc(NCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821486575 606642496 /nfs/dbraw/zinc/64/24/96/606642496.db2.gz HCHXHGGBCYJKRQ-UHFFFAOYSA-N -1 3 279.347 3.041 20 0 CGADHM CCc1ccc(NCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821486575 606642497 /nfs/dbraw/zinc/64/24/97/606642497.db2.gz HCHXHGGBCYJKRQ-UHFFFAOYSA-N -1 3 279.347 3.041 20 0 CGADHM Cc1cc(C)cc(CNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000043393367 606659561 /nfs/dbraw/zinc/65/95/61/606659561.db2.gz FCLYSPITFBZYRK-UHFFFAOYSA-N -1 3 279.347 3.096 20 0 CGADHM Cc1cc(C)cc(CNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000043393367 606659562 /nfs/dbraw/zinc/65/95/62/606659562.db2.gz FCLYSPITFBZYRK-UHFFFAOYSA-N -1 3 279.347 3.096 20 0 CGADHM CCc1ccccc1NCc1ccccc1-c1nnn[n-]1 ZINC000821496537 606694123 /nfs/dbraw/zinc/69/41/23/606694123.db2.gz HSNIUBVQXGWNEE-UHFFFAOYSA-N -1 3 279.347 3.041 20 0 CGADHM CCc1ccccc1NCc1ccccc1-c1nn[n-]n1 ZINC000821496537 606694124 /nfs/dbraw/zinc/69/41/24/606694124.db2.gz HSNIUBVQXGWNEE-UHFFFAOYSA-N -1 3 279.347 3.041 20 0 CGADHM c1cc(-c2ccc(-c3nnn[n-]3)cc2)ccc1OCC1CC1 ZINC000823737763 606838680 /nfs/dbraw/zinc/83/86/80/606838680.db2.gz KARJVZMVYVXIFI-UHFFFAOYSA-N -1 3 292.342 3.323 20 0 CGADHM c1cc(-c2ccc(-c3nn[n-]n3)cc2)ccc1OCC1CC1 ZINC000823737763 606838682 /nfs/dbraw/zinc/83/86/82/606838682.db2.gz KARJVZMVYVXIFI-UHFFFAOYSA-N -1 3 292.342 3.323 20 0 CGADHM C[C@H](Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc[nH]1 ZINC000824647993 608016923 /nfs/dbraw/zinc/01/69/23/608016923.db2.gz CQMNHXKAGQNJJV-QMMMGPOBSA-N -1 3 288.742 3.021 20 0 CGADHM C[C@H](Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc[nH]1 ZINC000824647993 608016924 /nfs/dbraw/zinc/01/69/24/608016924.db2.gz CQMNHXKAGQNJJV-QMMMGPOBSA-N -1 3 288.742 3.021 20 0 CGADHM CCc1ccc(NCc2cc(-c3nnn[n-]3)cs2)cc1C ZINC000825718254 608759979 /nfs/dbraw/zinc/75/99/79/608759979.db2.gz XPZNRLLNURQNNM-UHFFFAOYSA-N -1 3 299.403 3.411 20 0 CGADHM CCc1ccc(NCc2cc(-c3nn[n-]n3)cs2)cc1C ZINC000825718254 608759981 /nfs/dbraw/zinc/75/99/81/608759981.db2.gz XPZNRLLNURQNNM-UHFFFAOYSA-N -1 3 299.403 3.411 20 0 CGADHM C[C@H](Nc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000095248091 617814754 /nfs/dbraw/zinc/81/47/54/617814754.db2.gz MPEDTRNXZMEBTI-NSHDSACASA-N -1 3 265.320 3.040 20 0 CGADHM C[C@H](Nc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000095248091 617814756 /nfs/dbraw/zinc/81/47/56/617814756.db2.gz MPEDTRNXZMEBTI-NSHDSACASA-N -1 3 265.320 3.040 20 0 CGADHM Cc1oc(C(C)(C)C)cc1CN[C@@H]1C=C[C@H](C(=O)[O-])C1 ZINC000900042124 620751085 /nfs/dbraw/zinc/75/10/85/620751085.db2.gz QSZUNWAHFDBZDB-WCQYABFASA-N -1 3 277.364 3.004 20 0 CGADHM CC(C)Cc1ccc(CCC(=O)[N-]OC2CCC2)cc1 ZINC000812788846 617853741 /nfs/dbraw/zinc/85/37/41/617853741.db2.gz CHMZBDZHTBZYFO-UHFFFAOYSA-N -1 3 275.392 3.418 20 0 CGADHM Cc1ccc2c(c1)CCN2C(=O)c1cc(C)ccc1[O-] ZINC000091104178 618482673 /nfs/dbraw/zinc/48/26/73/618482673.db2.gz DCSFLQDKQWKIBV-UHFFFAOYSA-N -1 3 267.328 3.212 20 0 CGADHM CC(C)(C)c1cc(C(=O)[N-]c2noc3c2CCCC3)no1 ZINC000900780901 620812227 /nfs/dbraw/zinc/81/22/27/620812227.db2.gz QUIMPEOMZGOLKU-UHFFFAOYSA-N -1 3 289.335 3.091 20 0 CGADHM COc1ccc(F)cc1CN1CCCC[C@@H]1CCC(=O)[O-] ZINC000050925566 618705433 /nfs/dbraw/zinc/70/54/33/618705433.db2.gz MKDJBHUCVILRSD-CQSZACIVSA-N -1 3 295.354 3.054 20 0 CGADHM CC[C@@H](C)CCCCC(=O)N1CCCc2c(=O)[n-]cnc21 ZINC000893207030 619028408 /nfs/dbraw/zinc/02/84/08/619028408.db2.gz LVXPHCFSKJBCSJ-GFCCVEGCSA-N -1 3 291.395 3.068 20 0 CGADHM CCCC[C@H](CC)CC(=O)N1CCCc2c(=O)[n-]cnc21 ZINC000893216003 619032578 /nfs/dbraw/zinc/03/25/78/619032578.db2.gz LVQLYVHCBSXLKQ-LBPRGKRZSA-N -1 3 291.395 3.068 20 0 CGADHM Cc1ccc(C(=O)Nc2ncsc2C2CC2)c([O-])c1 ZINC000893280639 619064251 /nfs/dbraw/zinc/06/42/51/619064251.db2.gz WVKSWHOBLASTHI-UHFFFAOYSA-N -1 3 274.345 3.287 20 0 CGADHM CC=C(C)C(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1 ZINC000255370140 619401304 /nfs/dbraw/zinc/40/13/04/619401304.db2.gz YLBKEFPHHRDXNC-WCIBSUBMSA-N -1 3 297.358 3.316 20 0 CGADHM C[C@@H]1CN(Cc2ccc([O-])c(F)c2)CC2(CCCC2)O1 ZINC000895125776 619742081 /nfs/dbraw/zinc/74/20/81/619742081.db2.gz SWALLKWGGVWNJE-GFCCVEGCSA-N -1 3 279.355 3.065 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)CCCc1sccc1C ZINC000794853707 619778166 /nfs/dbraw/zinc/77/81/66/619778166.db2.gz NOFYKRNLLNSXPR-NSHDSACASA-N -1 3 269.410 3.473 20 0 CGADHM CC(C)c1nnc([N-][C@H]2c3ccccc3OC[C@H]2F)o1 ZINC000895556260 619849706 /nfs/dbraw/zinc/84/97/06/619849706.db2.gz STDKXWWGUAPAPV-PWSUYJOCSA-N -1 3 277.299 3.077 20 0 CGADHM COCc1ccc(NCc2ccc([O-])c(F)c2)cc1OC ZINC000895657312 619864685 /nfs/dbraw/zinc/86/46/85/619864685.db2.gz FMSRFEPQUDMBAY-UHFFFAOYSA-N -1 3 291.322 3.298 20 0 CGADHM CCCC[C@H](CC)CC(=O)[N-]OCc1ccccn1 ZINC000909530814 619920704 /nfs/dbraw/zinc/92/07/04/619920704.db2.gz DUVXFTXUSVZJHL-ZDUSSCGKSA-N -1 3 264.369 3.236 20 0 CGADHM CN(C)c1ccccc1CN(C)Cc1cccc(C(=O)[O-])c1 ZINC000263438832 620318866 /nfs/dbraw/zinc/31/88/66/620318866.db2.gz VNZXBMFDKNRTOC-UHFFFAOYSA-N -1 3 298.386 3.083 20 0 CGADHM Cc1cc(C)cc(CCC(=O)[N-]OCc2cccc(C)n2)c1 ZINC000898932842 620610526 /nfs/dbraw/zinc/61/05/26/620610526.db2.gz SYDGKMNCAVDJNZ-UHFFFAOYSA-N -1 3 298.386 3.187 20 0 CGADHM O=C(Nc1cccc([O-])c1F)c1cnc(CC2CC2)s1 ZINC000901243656 620845499 /nfs/dbraw/zinc/84/54/99/620845499.db2.gz MRBHVVHTRSVMTJ-UHFFFAOYSA-N -1 3 292.335 3.193 20 0 CGADHM CC1(C)CO[C@@H](CCC(=O)Nc2cccc([O-])c2F)C1 ZINC000901244195 620845716 /nfs/dbraw/zinc/84/57/16/620845716.db2.gz RNYMKAHTMARKRJ-JTQLQIEISA-N -1 3 281.327 3.065 20 0 CGADHM CC(C)n1cncc1C=Cc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000901530937 620915892 /nfs/dbraw/zinc/91/58/92/620915892.db2.gz JZXQZQWDXDSDIR-ONEGZZNKSA-N -1 3 298.268 3.149 20 0 CGADHM CN(CCC(C)(C)C(=O)[O-])Cc1nc2ccccc2s1 ZINC000902084147 621130908 /nfs/dbraw/zinc/13/09/08/621130908.db2.gz QMWUGQZMYFGFOA-UHFFFAOYSA-N -1 3 292.404 3.229 20 0 CGADHM Cc1cc(C)cc([C@@H](C)NCc2ccoc2C(=O)[O-])c1 ZINC000902233866 621204822 /nfs/dbraw/zinc/20/48/22/621204822.db2.gz DZGWBWMNGJFFBW-GFCCVEGCSA-N -1 3 273.332 3.445 20 0 CGADHM O=C([O-])c1cc(CN[C@H]2CCc3ccc(F)cc32)cs1 ZINC000902236185 621205826 /nfs/dbraw/zinc/20/58/26/621205826.db2.gz OZFZHQUWUDHDMC-ZDUSSCGKSA-N -1 3 291.347 3.363 20 0 CGADHM CC[C@@](C)(NCc1ccoc1C(=O)[O-])c1ccccc1 ZINC000902236691 621206753 /nfs/dbraw/zinc/20/67/53/621206753.db2.gz VJXCSEUVTWNAFL-MRXNPFEDSA-N -1 3 273.332 3.393 20 0 CGADHM CCc1oc(CN2CCC[C@@H](CCF)C2)cc1C(=O)[O-] ZINC000902263719 621216106 /nfs/dbraw/zinc/21/61/06/621216106.db2.gz 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632008848 /nfs/dbraw/zinc/00/88/48/632008848.db2.gz IXRGYCUXUMGBAI-UHFFFAOYSA-N -1 3 282.290 3.072 20 0 CGADHM O=C(Nc1c([O-])cccc1Cl)c1cccnc1Cl ZINC000816768832 632049317 /nfs/dbraw/zinc/04/93/17/632049317.db2.gz ISFAKIHVSILFKO-UHFFFAOYSA-N -1 3 283.114 3.346 20 0 CGADHM Cc1cccc2c1[C@@H](C)C[C@H]2CC(=O)[N-]OCC1CC1 ZINC000817335197 632125589 /nfs/dbraw/zinc/12/55/89/632125589.db2.gz YTGSOHYGELMUJX-JSGCOSHPSA-N -1 3 273.376 3.434 20 0 CGADHM O=C(CCCCC(=O)c1ccc(F)cc1)[N-]OCC1CC1 ZINC000817339514 632127623 /nfs/dbraw/zinc/12/76/23/632127623.db2.gz MEUNVVYIBIOPEJ-UHFFFAOYSA-N -1 3 293.338 3.027 20 0 CGADHM CCc1cccc2c(CC(=O)[N-]OCCC3CC3)c[nH]c21 ZINC000817379648 632134975 /nfs/dbraw/zinc/13/49/75/632134975.db2.gz WJJCMNCOLUOKKB-UHFFFAOYSA-N -1 3 286.375 3.121 20 0 CGADHM Cc1ccc(C(=O)CCCC(=O)[N-]OCCC2CC2)cc1 ZINC000817404137 632138137 /nfs/dbraw/zinc/13/81/37/632138137.db2.gz XNIRIMDZDFZREW-UHFFFAOYSA-N -1 3 289.375 3.196 20 0 CGADHM CC(C)[C@@H](CNC(=O)c1ccc(N)cc1[O-])c1ccccc1 ZINC000817920494 632234517 /nfs/dbraw/zinc/23/45/17/632234517.db2.gz NQSHJZVSYWBNLA-MRXNPFEDSA-N -1 3 298.386 3.144 20 0 CGADHM CC(C)(C)[C@@H]1CCCN(C(=O)c2ccc(N)cc2[O-])CC1 ZINC000817940392 632240856 /nfs/dbraw/zinc/24/08/56/632240856.db2.gz MINTYJNXCPQGBY-GFCCVEGCSA-N -1 3 290.407 3.263 20 0 CGADHM O=C([N-]CCc1cc2ccccc2s1)C(F)(F)F ZINC000818275258 632304107 /nfs/dbraw/zinc/30/41/07/632304107.db2.gz JQGOZUKCHIPHET-UHFFFAOYSA-N -1 3 273.279 3.122 20 0 CGADHM CC[C@H](Cc1ccccc1C)C(=O)[N-]O[C@H]1CCCCO1 ZINC000819205634 632401785 /nfs/dbraw/zinc/40/17/85/632401785.db2.gz NYOWEKYQFVAVCW-ZBFHGGJFSA-N -1 3 291.391 3.138 20 0 CGADHM C[C@H]1CN(C(=O)Cc2ccc([O-])c(F)c2)Cc2ccccc21 ZINC000822219950 632887291 /nfs/dbraw/zinc/88/72/91/632887291.db2.gz XTLMUOOSGBLQSY-LBPRGKRZSA-N -1 3 299.345 3.220 20 0 CGADHM O=C([N-]O[C@@H]1CCCCO1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000822923506 633039652 /nfs/dbraw/zinc/03/96/52/633039652.db2.gz BLXVZCBSBLAXST-OWCLPIDISA-N -1 3 289.375 3.145 20 0 CGADHM CC(C)(CC(=O)[N-]OC/C=C\Cl)CC(F)(F)F ZINC000880058673 635905036 /nfs/dbraw/zinc/90/50/36/635905036.db2.gz FBLCWTFMDKUGSS-ARJAWSKDSA-N -1 3 273.682 3.155 20 0 CGADHM CSc1ccc(NCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826231127 633409559 /nfs/dbraw/zinc/40/95/59/633409559.db2.gz YFJFLDBDRDAPJX-UHFFFAOYSA-N -1 3 297.387 3.201 20 0 CGADHM CSc1ccc(NCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826231127 633409564 /nfs/dbraw/zinc/40/95/64/633409564.db2.gz YFJFLDBDRDAPJX-UHFFFAOYSA-N -1 3 297.387 3.201 20 0 CGADHM O=C(CCc1ccc(C(F)F)cc1)[N-]OCC1CCC1 ZINC000869305246 633427931 /nfs/dbraw/zinc/42/79/31/633427931.db2.gz DQGDOSMMAQCKKL-UHFFFAOYSA-N -1 3 283.318 3.405 20 0 CGADHM [O-]c1ccc(F)c(CNc2ccc3c(c2)CCOC3)c1F ZINC000827321363 633481573 /nfs/dbraw/zinc/48/15/73/633481573.db2.gz OWXLHOIYTHKEOS-UHFFFAOYSA-N -1 3 291.297 3.355 20 0 CGADHM O=C(C[C@H]1C=CCCC1)[N-]OCCCC(F)(F)F ZINC000871214127 633729162 /nfs/dbraw/zinc/72/91/62/633729162.db2.gz CLTMJNQDBVSRAO-JTQLQIEISA-N -1 3 265.275 3.123 20 0 CGADHM O=C(CCCC(F)(F)F)[N-]OCCCC(F)(F)F ZINC000871214102 633729263 /nfs/dbraw/zinc/72/92/63/633729263.db2.gz HERRLCUSWNKBBN-UHFFFAOYSA-N -1 3 281.196 3.109 20 0 CGADHM Cc1ccc(C(=O)N2CCC[C@H]2c2cncc(C)c2)c([O-])c1 ZINC000830471954 633865335 /nfs/dbraw/zinc/86/53/35/633865335.db2.gz OQAUGACHKVIDAJ-INIZCTEOSA-N -1 3 296.370 3.381 20 0 CGADHM CCn1nc(C)c(CN[C@@H](C)c2cccc([O-])c2F)c1C ZINC000872032512 633951708 /nfs/dbraw/zinc/95/17/08/633951708.db2.gz VKGULQHGMPETCM-JTQLQIEISA-N -1 3 291.370 3.215 20 0 CGADHM COc1cc(N[C@H](C)c2cccc([O-])c2F)cnc1OC ZINC000872087014 634013433 /nfs/dbraw/zinc/01/34/33/634013433.db2.gz DRYRYPXWFGWOPP-SECBINFHSA-N -1 3 292.310 3.117 20 0 CGADHM CSc1cc(C)ccc1NC([O-])=NO[C@H]1CCCCO1 ZINC000841726971 635219712 /nfs/dbraw/zinc/21/97/12/635219712.db2.gz IMPOVGVUEBQXRK-ZDUSSCGKSA-N -1 3 296.392 3.297 20 0 CGADHM CSc1cc(C)ccc1NC(=O)[N-]O[C@H]1CCCCO1 ZINC000841726971 635219721 /nfs/dbraw/zinc/21/97/21/635219721.db2.gz IMPOVGVUEBQXRK-ZDUSSCGKSA-N -1 3 296.392 3.297 20 0 CGADHM Cc1ccc(-c2ccc(CNC[C@@H](F)C(=O)[O-])s2)cc1 ZINC000841814723 635238989 /nfs/dbraw/zinc/23/89/89/635238989.db2.gz ACSVAXLQSHIPGW-CYBMUJFWSA-N -1 3 293.363 3.236 20 0 CGADHM O=C(OCCOCC1CCC1)c1cc(Cl)c(Cl)[n-]1 ZINC000842062642 635271723 /nfs/dbraw/zinc/27/17/23/635271723.db2.gz IXXOQNCOQQMUFB-UHFFFAOYSA-N -1 3 292.162 3.295 20 0 CGADHM O=C([N-][C@@H](c1cccc(F)c1F)C(F)(F)F)C1(F)CC1 ZINC000843575859 635710656 /nfs/dbraw/zinc/71/06/56/635710656.db2.gz DQYHBNBDDTYLOA-VIFPVBQESA-N -1 3 297.198 3.187 20 0 CGADHM CCC/C(C)=C\C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000843886327 635791628 /nfs/dbraw/zinc/79/16/28/635791628.db2.gz NAKBTNUWKOGVSE-KTKRTIGZSA-N -1 3 261.321 3.280 20 0 CGADHM CCCO[N-]C(=O)CCSc1ccccc1Cl ZINC000844080357 635814840 /nfs/dbraw/zinc/81/48/40/635814840.db2.gz QCGKYFYHJQDUTH-UHFFFAOYSA-N -1 3 273.785 3.280 20 0 CGADHM CC(C)CON=C([O-])N=c1s[nH]c2ccccc21 ZINC000879822583 635868938 /nfs/dbraw/zinc/86/89/38/635868938.db2.gz DEZNGBMRCSHKLG-UHFFFAOYSA-N -1 3 265.338 3.005 20 0 CGADHM CC(C)CO[N-]C(=O)N=c1s[nH]c2ccccc21 ZINC000879822583 635868943 /nfs/dbraw/zinc/86/89/43/635868943.db2.gz DEZNGBMRCSHKLG-UHFFFAOYSA-N -1 3 265.338 3.005 20 0 CGADHM CC/C=C\CCOC(=O)c1ccc(N)c(Cl)c1[O-] ZINC000845194490 636013461 /nfs/dbraw/zinc/01/34/61/636013461.db2.gz ZQZIHGRADSIKFQ-ARJAWSKDSA-N -1 3 269.728 3.141 20 0 CGADHM C[C@@H](COCC1CC1)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000846529785 636193125 /nfs/dbraw/zinc/19/31/25/636193125.db2.gz URIKPTHCIJDBRP-LBPRGKRZSA-N -1 3 299.370 3.090 20 0 CGADHM CCc1ccc(C(=O)N2CCC[C@]3(CC3(F)F)C2)c([O-])c1 ZINC000846582258 636207314 /nfs/dbraw/zinc/20/73/14/636207314.db2.gz LKOUTUPOKOWNIC-HNNXBMFYSA-N -1 3 295.329 3.216 20 0 CGADHM C[C@@H](Cc1ccc(F)cc1)C(=O)Nc1cccc([O-])c1F ZINC000129531941 636296970 /nfs/dbraw/zinc/29/69/70/636296970.db2.gz QMFDGCFSJIXBIL-JTQLQIEISA-N -1 3 291.297 3.488 20 0 CGADHM CC(C)(C)c1csc([N-]C(=O)c2c(F)ccnc2F)n1 ZINC000847378369 636384725 /nfs/dbraw/zinc/38/47/25/636384725.db2.gz NTQRWLGBHJBJKO-UHFFFAOYSA-N -1 3 297.330 3.366 20 0 CGADHM O=C(O[C@H]1CCc2ccccc21)c1ccc([O-])cc1 ZINC000849193014 636768639 /nfs/dbraw/zinc/76/86/39/636768639.db2.gz NLHWMAIEOIRHPI-HNNXBMFYSA-N -1 3 254.285 3.237 20 0 CGADHM CC[C@H](COC(=O)c1ccc([O-])cc1)CC(F)F ZINC000849628549 636833541 /nfs/dbraw/zinc/83/35/41/636833541.db2.gz ODWKTALKPRMHBX-VIFPVBQESA-N -1 3 258.264 3.230 20 0 CGADHM CC(C)CO[N-]C(=O)Cc1c(Cl)cccc1Cl ZINC000135322609 637115749 /nfs/dbraw/zinc/11/57/49/637115749.db2.gz ZEHTWFBULGDBAR-UHFFFAOYSA-N -1 3 276.163 3.240 20 0 CGADHM O=C([O-])C1=CC[C@H](NCc2cc(Cl)sc2Cl)C1 ZINC000853039473 637742548 /nfs/dbraw/zinc/74/25/48/637742548.db2.gz ODDYKBMZXRYWHK-QMMMGPOBSA-N -1 3 292.187 3.318 20 0 CGADHM COc1cccc(CO[N-]C(=O)CC(C)(C)C)c1Cl ZINC000853707227 637897888 /nfs/dbraw/zinc/89/78/88/637897888.db2.gz YOQVNUXCYBPYBR-UHFFFAOYSA-N -1 3 285.771 3.333 20 0 CGADHM CCC(F)(F)C(=O)[N-][C@@H](Cc1ccccc1)c1ncco1 ZINC000855056600 638139018 /nfs/dbraw/zinc/13/90/18/638139018.db2.gz PSRJPVUWWCGKCO-LBPRGKRZSA-N -1 3 294.301 3.120 20 0 CGADHM CCOCCCOC(=O)c1cccc2[n-]c(C(F)F)nc21 ZINC000924080145 638295172 /nfs/dbraw/zinc/29/51/72/638295172.db2.gz JJNDROQZMOEZNK-UHFFFAOYSA-N -1 3 298.289 3.084 20 0 CGADHM O=C(CCCOc1ccccc1Cl)[N-]OCC1CCC1 ZINC000856346570 638347138 /nfs/dbraw/zinc/34/71/38/638347138.db2.gz FYYQMJWFFXHELY-UHFFFAOYSA-N -1 3 297.782 3.347 20 0 CGADHM C[C@@H](CC(=O)[N-]OCC1CCC1)c1ccccc1F ZINC000856347354 638347260 /nfs/dbraw/zinc/34/72/60/638347260.db2.gz OEYLMQPTOZKEOI-NSHDSACASA-N -1 3 265.328 3.167 20 0 CGADHM O=C(CCCCC(=O)c1ccccc1)[N-]OCC1CCC1 ZINC000856349882 638349816 /nfs/dbraw/zinc/34/98/16/638349816.db2.gz UEDSMUIAPMIPOU-UHFFFAOYSA-N -1 3 289.375 3.278 20 0 CGADHM O=C(NOCC1CCC1)c1cc([O-])c2ccccc2c1 ZINC000856351036 638351409 /nfs/dbraw/zinc/35/14/09/638351409.db2.gz AICAAXUFACYMGE-UHFFFAOYSA-N -1 3 271.316 3.007 20 0 CGADHM CC12CC(C1)CN2C(=O)c1cc2sccc2c([O-])c1 ZINC000856511933 638371128 /nfs/dbraw/zinc/37/11/28/638371128.db2.gz CAYIMIZTIRDGHN-UHFFFAOYSA-N -1 3 273.357 3.231 20 0 CGADHM Cc1ncc(CO[N-]C(=O)CCC2CCCCC2)s1 ZINC000114451867 638373062 /nfs/dbraw/zinc/37/30/62/638373062.db2.gz KIDZGJNSSDHNAO-UHFFFAOYSA-N -1 3 282.409 3.360 20 0 CGADHM Cc1nnc([N-]C(=O)c2cnc(CC(C)(C)C)s2)s1 ZINC000930376883 638993805 /nfs/dbraw/zinc/99/38/05/638993805.db2.gz RYWYMCIVNVPBKM-UHFFFAOYSA-N -1 3 296.421 3.144 20 0 CGADHM CCC[C@@H](C)CCCOC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000859501326 639151237 /nfs/dbraw/zinc/15/12/37/639151237.db2.gz LLLVBVMHGWFQHH-LLVKDONJSA-N -1 3 294.395 3.101 20 0 CGADHM O=C(CCC1CCCCC1)[N-]OCCC(F)(F)F ZINC000077239537 640228236 /nfs/dbraw/zinc/22/82/36/640228236.db2.gz ZBJQXUIELNJVBJ-UHFFFAOYSA-N -1 3 267.291 3.347 20 0 CGADHM [O-]c1ccc(Cl)c(F)c1CNCc1cccc(O)c1 ZINC000190922115 640277206 /nfs/dbraw/zinc/27/72/06/640277206.db2.gz YWGASNPWKDJFLO-UHFFFAOYSA-N -1 3 281.714 3.180 20 0 CGADHM C[C@@H]1C[C@H]1c1ccc(CN2CCC(CC(=O)[O-])CC2)o1 ZINC000093682265 640780213 /nfs/dbraw/zinc/78/02/13/640780213.db2.gz ZTMMPYKQYNRDIY-BXUZGUMPSA-N -1 3 277.364 3.090 20 0 CGADHM O=C([O-])c1csc(CN[C@@H]2CCCc3occc32)c1 ZINC000095004475 640807103 /nfs/dbraw/zinc/80/71/03/640807103.db2.gz LPHKTKPOBBUPTA-GFCCVEGCSA-N -1 3 277.345 3.207 20 0 CGADHM CSc1ccc(Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001250335066 805581140 /nfs/dbraw/zinc/58/11/40/805581140.db2.gz FACYMDXGTKNADU-UHFFFAOYSA-N -1 3 282.372 3.179 20 0 CGADHM CSc1ccc(Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001250335066 805581145 /nfs/dbraw/zinc/58/11/45/805581145.db2.gz FACYMDXGTKNADU-UHFFFAOYSA-N -1 3 282.372 3.179 20 0 CGADHM CSCCO[N-]C(=O)CC12CC3CC(CC(C3)C1)C2 ZINC001156650000 805722916 /nfs/dbraw/zinc/72/29/16/805722916.db2.gz HBWLIYPJBXMVCL-UHFFFAOYSA-N -1 3 283.437 3.004 20 0 CGADHM [O-]c1cnccc1-c1nc2ccc(F)c(F)c2n1C1CC1 ZINC001250857022 805788421 /nfs/dbraw/zinc/78/84/21/805788421.db2.gz ATUXOIPKBBJQTR-UHFFFAOYSA-N -1 3 287.269 3.417 20 0 CGADHM Cc1ncc(CO)c(-c2nc3ccccc3n2C(C)C)c1[O-] ZINC001250913827 805797556 /nfs/dbraw/zinc/79/75/56/805797556.db2.gz NPTVGGOPEZJLGN-UHFFFAOYSA-N -1 3 297.358 3.186 20 0 CGADHM Cc1c2[nH]c(-c3cc(Cl)ncc3[O-])nc2ccc1F ZINC001251252308 805872394 /nfs/dbraw/zinc/87/23/94/805872394.db2.gz SOCYTIXPKRBHKP-UHFFFAOYSA-N -1 3 277.686 3.431 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-]c2ccnc(C3CC3)c2)cc1 ZINC001252108493 806000064 /nfs/dbraw/zinc/00/00/64/806000064.db2.gz BWWOFDBLXIEBSS-UHFFFAOYSA-N -1 3 288.372 3.068 20 0 CGADHM CC(C)=C[C@@H]1[C@H](C(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)C1(C)C ZINC001159055911 806037513 /nfs/dbraw/zinc/03/75/13/806037513.db2.gz FLRPFCKTXDLDBP-TZMCWYRMSA-N -1 3 299.374 3.445 20 0 CGADHM COc1ccc([O-])c(-c2nnc(-c3ccc(C)cc3)o2)c1 ZINC001252608392 806085608 /nfs/dbraw/zinc/08/56/08/806085608.db2.gz RZQZUAQCUWJGJX-UHFFFAOYSA-N -1 3 282.299 3.426 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)Cc1ccc2c(c1)CCCC2 ZINC001159859910 806187610 /nfs/dbraw/zinc/18/76/10/806187610.db2.gz CPKKBNVPCZTQKX-ZDUSSCGKSA-N -1 3 275.392 3.202 20 0 CGADHM Cc1cc([O-])c(-c2nnc(Cc3ccccc3)o2)c(O)c1 ZINC001253579818 806263045 /nfs/dbraw/zinc/26/30/45/806263045.db2.gz JXWKSZRMCXSARA-UHFFFAOYSA-N -1 3 282.299 3.047 20 0 CGADHM [O-]c1cc2ccccc2c(O)c1-c1nnc(C2CC2)o1 ZINC001254058550 806335306 /nfs/dbraw/zinc/33/53/06/806335306.db2.gz AMWKFZWAJHTCQJ-UHFFFAOYSA-N -1 3 268.272 3.178 20 0 CGADHM [O-]c1ccc(-c2nnc(C3CC3)o2)c(C(F)(F)F)c1 ZINC001254126493 806346724 /nfs/dbraw/zinc/34/67/24/806346724.db2.gz QUGKTVYGXNCGPL-UHFFFAOYSA-N -1 3 270.210 3.338 20 0 CGADHM [O-]c1ccc(-c2nnc([C@H]3C[C@@H]3c3ccccc3)o2)nc1 ZINC001254511589 806431384 /nfs/dbraw/zinc/43/13/84/806431384.db2.gz CTCAAQUCDSFYKQ-OLZOCXBDSA-N -1 3 279.299 3.108 20 0 CGADHM [O-]c1cnc2ccccc2c1-c1nnc(C2CCC2)o1 ZINC001255175388 806567995 /nfs/dbraw/zinc/56/79/95/806567995.db2.gz SDGFABGXOMFROX-UHFFFAOYSA-N -1 3 267.288 3.258 20 0 CGADHM [O-]c1cc2ccccc2cc1-c1nnc([C@@H]2CCOC2)o1 ZINC001255522984 806662383 /nfs/dbraw/zinc/66/23/83/806662383.db2.gz AEVSWPWBNTXUHW-GFCCVEGCSA-N -1 3 282.299 3.099 20 0 CGADHM CC(C)(C)c1ccc(-c2nnc([C@@H]3CCOC3)o2)c([O-])c1 ZINC001255622500 806682375 /nfs/dbraw/zinc/68/23/75/806682375.db2.gz GEGQQOVWCYUHQP-SNVBAGLBSA-N -1 3 288.347 3.244 20 0 CGADHM CCN(C(=O)c1cccc(OC)c1[O-])c1cccc(C)c1 ZINC000040217780 798887150 /nfs/dbraw/zinc/88/71/50/798887150.db2.gz CNLHFGZJWDCOFX-UHFFFAOYSA-N -1 3 285.343 3.376 20 0 CGADHM Cc1ccc(CNC(=O)c2cc([O-])c3ccccc3c2)nc1 ZINC001163138649 806705815 /nfs/dbraw/zinc/70/58/15/806705815.db2.gz PBCZUCXMESVGEB-UHFFFAOYSA-N -1 3 292.338 3.179 20 0 CGADHM [O-]c1ccc(NC(=S)NCC2CCCCC2)cc1F ZINC000168983318 799086644 /nfs/dbraw/zinc/08/66/44/799086644.db2.gz NPKSSHHVVVEWMF-UHFFFAOYSA-N -1 3 282.384 3.398 20 0 CGADHM C[C@@H]1C[C@H](C(=O)[O-])CCN1Cc1ccccc1Cl ZINC000235361752 799144408 /nfs/dbraw/zinc/14/44/08/799144408.db2.gz ZVTBWSSLSQOVQQ-GHMZBOCLSA-N -1 3 267.756 3.025 20 0 CGADHM CC(C)(C)CCCCNC(=O)c1cc2c(cc1[O-])OCO2 ZINC000436676839 799612181 /nfs/dbraw/zinc/61/21/81/799612181.db2.gz UQECBHYPQSJJQH-UHFFFAOYSA-N -1 3 293.363 3.067 20 0 CGADHM O=C(/C=C\c1cccc(O)c1)Nc1ccc(Cl)cc1[O-] ZINC000588537094 799707998 /nfs/dbraw/zinc/70/79/98/799707998.db2.gz QGQKJHWAKYNYFO-DAXSKMNVSA-N -1 3 289.718 3.403 20 0 CGADHM Cc1ccc(CN(C)Cc2ccccc2CC(=O)[O-])s1 ZINC000693993671 799819275 /nfs/dbraw/zinc/81/92/75/799819275.db2.gz OWKPJRXTROJSCN-UHFFFAOYSA-N -1 3 289.400 3.316 20 0 CGADHM Cc1ccc(CN2CCC(F)(F)C[C@@H]2C)cc1C(=O)[O-] ZINC000701815164 799894846 /nfs/dbraw/zinc/89/48/46/799894846.db2.gz AQNWEOGTSDTDOK-NSHDSACASA-N -1 3 283.318 3.313 20 0 CGADHM O=C([O-])c1ccc(CN[C@H]2CCCc3occc32)s1 ZINC000706255753 799960444 /nfs/dbraw/zinc/96/04/44/799960444.db2.gz VOAOVDQKLRKXRE-NSHDSACASA-N -1 3 277.345 3.207 20 0 CGADHM Cc1cccc([O-])c1C(=O)NCCc1ccc(Cl)s1 ZINC000706673630 799964525 /nfs/dbraw/zinc/96/45/25/799964525.db2.gz AYZRIZZTFZAIOH-UHFFFAOYSA-N -1 3 295.791 3.388 20 0 CGADHM Cc1ccnc(-c2noc(-c3c(C)cccc3[O-])n2)c1 ZINC000706649171 799964699 /nfs/dbraw/zinc/96/46/99/799964699.db2.gz HCHVLGVGQKKQRY-UHFFFAOYSA-N -1 3 267.288 3.121 20 0 CGADHM CCCCCc1nnc(-c2cc(OC)c([O-])c(OC)c2)o1 ZINC001256068046 806809007 /nfs/dbraw/zinc/80/90/07/806809007.db2.gz HWUCMCQJFSXQBE-UHFFFAOYSA-N -1 3 292.335 3.192 20 0 CGADHM CCCCCc1nnc(-c2ccc3[nH][n-]c(=O)c3c2)o1 ZINC001256080107 806815478 /nfs/dbraw/zinc/81/54/78/806815478.db2.gz SYGZGLBVRJNFOG-UHFFFAOYSA-N -1 3 272.308 3.051 20 0 CGADHM Cc1cc(C)cc(CNc2ccc(C)c(-c3nnn[n-]3)c2)c1 ZINC001163753011 806818407 /nfs/dbraw/zinc/81/84/07/806818407.db2.gz GIIQBPSTFPCNSW-UHFFFAOYSA-N -1 3 293.374 3.404 20 0 CGADHM Cc1cc(C)cc(CNc2ccc(C)c(-c3nn[n-]n3)c2)c1 ZINC001163753011 806818415 /nfs/dbraw/zinc/81/84/15/806818415.db2.gz GIIQBPSTFPCNSW-UHFFFAOYSA-N -1 3 293.374 3.404 20 0 CGADHM CC(C)(Cc1ccc(F)cc1)Nc1ccc(=S)[n-]n1 ZINC001163851561 806837252 /nfs/dbraw/zinc/83/72/52/806837252.db2.gz YXVIEZNNFJXOIL-UHFFFAOYSA-N -1 3 277.368 3.338 20 0 CGADHM C[C@@H]1C[C@H]1c1nnc(-c2cc(O)c3ccccc3c2[O-])o1 ZINC001256626125 806929820 /nfs/dbraw/zinc/92/98/20/806929820.db2.gz QDMIGVAANFQCCO-LDYMZIIASA-N -1 3 282.299 3.424 20 0 CGADHM O=c1[n-]c(NC[C@@H]2CCCCO2)c(Cl)cc1Cl ZINC001164670828 806964632 /nfs/dbraw/zinc/96/46/32/806964632.db2.gz BKXCAUJOHWIORN-ZETCQYMHSA-N -1 3 277.151 3.075 20 0 CGADHM CC1(C(=O)Nc2ccc(Br)cc2[O-])CC=CC1 ZINC001119696435 802693111 /nfs/dbraw/zinc/69/31/11/802693111.db2.gz WFCRDONWOOIEDS-UHFFFAOYSA-N -1 3 296.164 3.450 20 0 CGADHM C[C@H]1CCCC[C@@]1(C)NC(=O)c1c[n-]c2ccccc2c1=O ZINC001121126540 802806120 /nfs/dbraw/zinc/80/61/20/802806120.db2.gz PRQYRLKVUQLCDO-KPZWWZAWSA-N -1 3 298.386 3.227 20 0 CGADHM Cc1coc(C(=O)[N-]c2nnc(-c3ccsc3)s2)c1 ZINC001125317950 803056633 /nfs/dbraw/zinc/05/66/33/803056633.db2.gz BAHRBCOOAUWWNO-UHFFFAOYSA-N -1 3 291.357 3.420 20 0 CGADHM COc1ccc(-c2ccc(=S)[n-]n2)c(C(F)(F)F)c1 ZINC001243944914 803093087 /nfs/dbraw/zinc/09/30/87/803093087.db2.gz NTEFFKXLNFATJS-UHFFFAOYSA-N -1 3 286.278 3.460 20 0 CGADHM COc1ccc(-c2cccc(-c3nnn[n-]3)c2)c(C)c1C ZINC001244003726 803134388 /nfs/dbraw/zinc/13/43/88/803134388.db2.gz VXQSHLBDJSNQAO-UHFFFAOYSA-N -1 3 280.331 3.159 20 0 CGADHM COc1ccc(-c2cccc(-c3nn[n-]n3)c2)c(C)c1C ZINC001244003726 803134391 /nfs/dbraw/zinc/13/43/91/803134391.db2.gz VXQSHLBDJSNQAO-UHFFFAOYSA-N -1 3 280.331 3.159 20 0 CGADHM CCNC(=O)c1ccccc1-c1c([O-])cccc1Cl ZINC001244032876 803151684 /nfs/dbraw/zinc/15/16/84/803151684.db2.gz AXKVHPCHGCQJHG-UHFFFAOYSA-N -1 3 275.735 3.462 20 0 CGADHM NC(=O)c1c(F)cc(-c2c([O-])cccc2Cl)cc1F ZINC001244046778 803159709 /nfs/dbraw/zinc/15/97/09/803159709.db2.gz AHIBWQKJGNKXGB-UHFFFAOYSA-N -1 3 283.661 3.090 20 0 CGADHM [O-]c1ccc(OC(F)(F)F)cc1-c1ncnc2[nH]ccc21 ZINC001244457390 803379995 /nfs/dbraw/zinc/37/99/95/803379995.db2.gz VRNGRMSRDRPRNE-UHFFFAOYSA-N -1 3 295.220 3.181 20 0 CGADHM Cc1cc(-c2ccc(Cl)cc2[O-])c2ncnn2c1 ZINC001244469701 803386424 /nfs/dbraw/zinc/38/64/24/803386424.db2.gz PAKWKMRTWNCUFI-UHFFFAOYSA-N -1 3 259.696 3.064 20 0 CGADHM O=C1Cc2cc(F)c(-c3ccc(Cl)cc3[O-])cc2N1 ZINC001244470317 803387002 /nfs/dbraw/zinc/38/70/02/803387002.db2.gz ZDXVQEIOSNCJFB-UHFFFAOYSA-N -1 3 277.682 3.346 20 0 CGADHM COCCOc1ccc(-c2ccc(Cl)cc2[O-])cn1 ZINC001244472167 803388860 /nfs/dbraw/zinc/38/88/60/803388860.db2.gz MEIDMPPTZUMELM-UHFFFAOYSA-N -1 3 279.723 3.133 20 0 CGADHM CCCNc1cc(C)nc(-c2cc(C)c(F)c([O-])c2)n1 ZINC001244495677 803403876 /nfs/dbraw/zinc/40/38/76/803403876.db2.gz HVZALAIGYNRJAL-UHFFFAOYSA-N -1 3 275.327 3.427 20 0 CGADHM Cc1cc(-c2ccc3c(c2)C(=O)OC3)cc([O-])c1F ZINC001244514792 803413430 /nfs/dbraw/zinc/41/34/30/803413430.db2.gz CKOQBFRRXBAEAX-UHFFFAOYSA-N -1 3 258.248 3.177 20 0 CGADHM Cc1cc(-c2cccc(N3CCOCC3)c2)cc([O-])c1F ZINC001244515692 803414005 /nfs/dbraw/zinc/41/40/05/803414005.db2.gz KIYUWQJAGNUIGG-UHFFFAOYSA-N -1 3 287.334 3.343 20 0 CGADHM Cc1cc(-c2cccc(C(=O)N(C)C)c2)cc([O-])c1F ZINC001244518941 803415090 /nfs/dbraw/zinc/41/50/90/803415090.db2.gz VJBCJAHHKKOOGO-UHFFFAOYSA-N -1 3 273.307 3.209 20 0 CGADHM Cc1nc2cncc(-c3cc(C)c(F)c([O-])c3)c2o1 ZINC001244519966 803415687 /nfs/dbraw/zinc/41/56/87/803415687.db2.gz HWMRLWMSCBCCIV-UHFFFAOYSA-N -1 3 258.252 3.351 20 0 CGADHM Cc1cc(-c2ccn(C3CCC3)c(=O)c2)cc([O-])c1F ZINC001244525338 803418818 /nfs/dbraw/zinc/41/88/18/803418818.db2.gz KZNAENXAWRWDFW-UHFFFAOYSA-N -1 3 273.307 3.393 20 0 CGADHM COc1ccc(-c2cc(C)c(F)c([O-])c2)cc1NC(C)=O ZINC001244525230 803419042 /nfs/dbraw/zinc/41/90/42/803419042.db2.gz MTZCAEQULSCWOJ-UHFFFAOYSA-N -1 3 289.306 3.474 20 0 CGADHM Cc1cc(-c2cccc3c2NC(=O)NC3)cc([O-])c1F ZINC001244526026 803419148 /nfs/dbraw/zinc/41/91/48/803419148.db2.gz YGXZQEWKTYVDTE-UHFFFAOYSA-N -1 3 272.279 3.142 20 0 CGADHM Cc1cc(-c2cn(-c3ccccc3)c(=O)cn2)cc([O-])c1F ZINC001244526368 803420218 /nfs/dbraw/zinc/42/02/18/803420218.db2.gz ZNXBQDJJTUBPPM-UHFFFAOYSA-N -1 3 296.301 3.053 20 0 CGADHM Cc1cc(-c2ccc3c(c2)N(C)CCO3)cc([O-])c1F ZINC001244530385 803422140 /nfs/dbraw/zinc/42/21/40/803422140.db2.gz MSYYLTSKNDVDHI-UHFFFAOYSA-N -1 3 273.307 3.335 20 0 CGADHM Cc1cc(-c2cccc3c2NC(=O)CO3)cc(Cl)c1[O-] ZINC001244554724 803435626 /nfs/dbraw/zinc/43/56/26/803435626.db2.gz MXTVODDCNKZIJI-UHFFFAOYSA-N -1 3 289.718 3.352 20 0 CGADHM CN(C)Cc1cccc(-c2ccc(Cl)c([O-])c2F)n1 ZINC001244630576 803474149 /nfs/dbraw/zinc/47/41/49/803474149.db2.gz FMJCCBAXDROGEM-UHFFFAOYSA-N -1 3 280.730 3.308 20 0 CGADHM COCOc1cnc(F)cc1-c1cc(Cl)ccc1[O-] ZINC001245051236 803623099 /nfs/dbraw/zinc/62/30/99/803623099.db2.gz USYOYZXJHSFBOI-UHFFFAOYSA-N -1 3 283.686 3.229 20 0 CGADHM O=C(Cc1cccc2ncccc12)[N-]OCc1ccccc1 ZINC001136108254 803631333 /nfs/dbraw/zinc/63/13/33/803631333.db2.gz GPOALXIMYZTXOD-UHFFFAOYSA-N -1 3 292.338 3.025 20 0 CGADHM COC(=O)c1ccc(-c2ccc([O-])cc2Cl)nc1C ZINC001245081687 803636507 /nfs/dbraw/zinc/63/65/07/803636507.db2.gz KIHMYNAVQNOMNB-UHFFFAOYSA-N -1 3 277.707 3.203 20 0 CGADHM Cc1ccc(NC(=O)c2c(C)cccc2[O-])c2n[nH]cc21 ZINC001136447773 803644100 /nfs/dbraw/zinc/64/41/00/803644100.db2.gz IGWTZESGHJMPEZ-UHFFFAOYSA-N -1 3 281.315 3.138 20 0 CGADHM [O-]c1ccc(Nc2ccc3nsnc3c2)c(F)c1F ZINC001212007505 814965767 /nfs/dbraw/zinc/96/57/67/814965767.db2.gz JPUZSCMPCMWTIJ-UHFFFAOYSA-N -1 3 279.271 3.419 20 0 CGADHM [O-]c1ccc(Nc2cn(C3CCC3)cn2)c(F)c1F ZINC001212005871 814965979 /nfs/dbraw/zinc/96/59/79/814965979.db2.gz YKQDRFOFGXRLLP-UHFFFAOYSA-N -1 3 265.263 3.336 20 0 CGADHM Fc1ccc2cc(-c3ccccc3-c3nnn[n-]3)[nH]c2c1 ZINC001245587531 803835281 /nfs/dbraw/zinc/83/52/81/803835281.db2.gz DOLGRPCFFOODNY-UHFFFAOYSA-N -1 3 279.278 3.154 20 0 CGADHM Fc1ccc2cc(-c3ccccc3-c3nn[n-]n3)[nH]c2c1 ZINC001245587531 803835290 /nfs/dbraw/zinc/83/52/90/803835290.db2.gz DOLGRPCFFOODNY-UHFFFAOYSA-N -1 3 279.278 3.154 20 0 CGADHM COc1ccc(-c2nnn[n-]2)cc1-c1cccc2ccoc21 ZINC001245616624 803857792 /nfs/dbraw/zinc/85/77/92/803857792.db2.gz GOHLVMNWXFTMLT-UHFFFAOYSA-N -1 3 292.298 3.289 20 0 CGADHM COc1ccc(-c2nn[n-]n2)cc1-c1cccc2ccoc21 ZINC001245616624 803857797 /nfs/dbraw/zinc/85/77/97/803857797.db2.gz GOHLVMNWXFTMLT-UHFFFAOYSA-N -1 3 292.298 3.289 20 0 CGADHM COc1c(F)c(F)ccc1-c1c([O-])cccc1F ZINC001245654796 803885638 /nfs/dbraw/zinc/88/56/38/803885638.db2.gz LMFMATZIDQEMKP-UHFFFAOYSA-N -1 3 254.207 3.485 20 0 CGADHM COc1cc(F)c(-c2c([O-])cccc2F)c(OC)c1 ZINC001245654087 803887121 /nfs/dbraw/zinc/88/71/21/803887121.db2.gz DQVRLJYAOUCXEP-UHFFFAOYSA-N -1 3 266.243 3.355 20 0 CGADHM COC(=O)c1cc(F)ccc1-c1c([O-])cccc1F ZINC001245655233 803889088 /nfs/dbraw/zinc/88/90/88/803889088.db2.gz WPYSOXOADMKAJU-UHFFFAOYSA-N -1 3 264.227 3.124 20 0 CGADHM CC1(C)CNC(=O)c2cccc(-c3c([O-])cccc3F)c21 ZINC001245656513 803889502 /nfs/dbraw/zinc/88/95/02/803889502.db2.gz WQFWSZHJEUVJSN-UHFFFAOYSA-N -1 3 285.318 3.219 20 0 CGADHM COC(=O)/C=C/c1ccc(-c2c([O-])cccc2F)cc1 ZINC001245657304 803892021 /nfs/dbraw/zinc/89/20/21/803892021.db2.gz JVLSCHBDXCQGID-JXMROGBWSA-N -1 3 272.275 3.385 20 0 CGADHM [O-]c1cccnc1CN1CCC[C@@H]1c1cc(F)ccc1F ZINC001138395152 803914146 /nfs/dbraw/zinc/91/41/46/803914146.db2.gz UXEJSWLGLDNLCL-OAHLLOKOSA-N -1 3 290.313 3.403 20 0 CGADHM Cc1ccc(-c2ccc(F)c(C)c2F)cc1-c1nnn[n-]1 ZINC001245692736 803914471 /nfs/dbraw/zinc/91/44/71/803914471.db2.gz NXQIYGONMICEDA-UHFFFAOYSA-N -1 3 286.285 3.429 20 0 CGADHM Cc1ccc(-c2ccc(F)c(C)c2F)cc1-c1nn[n-]n1 ZINC001245692736 803914477 /nfs/dbraw/zinc/91/44/77/803914477.db2.gz NXQIYGONMICEDA-UHFFFAOYSA-N -1 3 286.285 3.429 20 0 CGADHM CO[C@H]1CCCC[C@@H]1NC(=O)c1ccc(C(C)C)cc1[O-] ZINC001138971935 804094790 /nfs/dbraw/zinc/09/47/90/804094790.db2.gz HZKHSSPOXHEVCM-HOCLYGCPSA-N -1 3 291.391 3.203 20 0 CGADHM Cc1[nH]c(CN(Cc2ccccc2)C2CC2)c(C)c1C(=O)[O-] ZINC001140497296 804446820 /nfs/dbraw/zinc/44/68/20/804446820.db2.gz KRYRGIWIRHJVOW-UHFFFAOYSA-N -1 3 298.386 3.494 20 0 CGADHM [O-]c1ccc(CN2CC[C@@H]3CCC[C@H]3C2)c(F)c1F ZINC001140887575 804541249 /nfs/dbraw/zinc/54/12/49/804541249.db2.gz BKKVEZLVPHLITB-QWRGUYRKSA-N -1 3 267.319 3.292 20 0 CGADHM CN(Cc1ccc(C(=O)[O-])o1)Cc1cccc2cccnc21 ZINC001140946743 804555887 /nfs/dbraw/zinc/55/58/87/804555887.db2.gz ARDPVRKXHXQNRI-UHFFFAOYSA-N -1 3 296.326 3.158 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)Nc1ccc2[nH]ccc2c1 ZINC001141391802 804637598 /nfs/dbraw/zinc/63/75/98/804637598.db2.gz VEMPYPPBEWIMEG-UHFFFAOYSA-N -1 3 284.290 3.194 20 0 CGADHM CCCc1nc(C(=O)Nc2c([O-])cccc2Cl)co1 ZINC001141469137 804644382 /nfs/dbraw/zinc/64/43/82/804644382.db2.gz JTUYYKJSUKKQDC-UHFFFAOYSA-N -1 3 280.711 3.238 20 0 CGADHM Nc1cn(-c2cc(F)cc(F)c2[O-])c2nccc-2c1Cl ZINC001212481702 815035894 /nfs/dbraw/zinc/03/58/94/815035894.db2.gz FLEMBMLVMRAUDH-UHFFFAOYSA-N -1 3 295.676 3.197 20 0 CGADHM Cc1cc2ncc(C)c(Nc3cc(F)cc(F)c3[O-])n2n1 ZINC001212477459 815034016 /nfs/dbraw/zinc/03/40/16/815034016.db2.gz FKNUXZNVVNVTQP-UHFFFAOYSA-N -1 3 290.273 3.074 20 0 CGADHM [O-]c1cc(F)c(CN2CC[C@@H](c3ccccn3)C2)c(F)c1 ZINC001144554774 805005210 /nfs/dbraw/zinc/00/52/10/805005210.db2.gz HGBCLDKPHSVPDK-LLVKDONJSA-N -1 3 290.313 3.055 20 0 CGADHM [O-]c1cc(F)c(CN2CC3CCC2CC3)c(F)c1 ZINC001144559136 805006821 /nfs/dbraw/zinc/00/68/21/805006821.db2.gz JKVKZAXMBGKXPE-UHFFFAOYSA-N -1 3 253.292 3.045 20 0 CGADHM C[C@@H]1CCN(Cc2cc(F)c([O-])cc2F)[C@@H](C)C1 ZINC001144658256 805025142 /nfs/dbraw/zinc/02/51/42/805025142.db2.gz UQBKSRYIIXJEQK-ZJUUUORDSA-N -1 3 255.308 3.291 20 0 CGADHM Cc1ccc2c(c1)CCN(Cc1sccc1C(=O)[O-])C2 ZINC001144684612 805034512 /nfs/dbraw/zinc/03/45/12/805034512.db2.gz LOHQAAJLPZTRRT-UHFFFAOYSA-N -1 3 287.384 3.313 20 0 CGADHM COc1cccc([O-])c1C(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC001146669439 805078849 /nfs/dbraw/zinc/07/88/49/805078849.db2.gz PZPOGMMFXNVIHZ-RWMBFGLXSA-N -1 3 289.375 3.099 20 0 CGADHM Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)n2)c([O-])c1 ZINC001148492811 805187981 /nfs/dbraw/zinc/18/79/81/805187981.db2.gz TZJSQEZGSHRRJX-UHFFFAOYSA-N -1 3 296.248 3.367 20 0 CGADHM Cc1ccc(C(=O)NCc2cc(F)c(F)c(F)c2)c([O-])c1 ZINC001148506205 805191148 /nfs/dbraw/zinc/19/11/48/805191148.db2.gz WRCMTESLUVWBQI-UHFFFAOYSA-N -1 3 295.260 3.048 20 0 CGADHM Cc1ccc(C(=O)Nc2cc(O)cc(Cl)c2)c([O-])c1 ZINC001148499926 805191798 /nfs/dbraw/zinc/19/17/98/805191798.db2.gz GXZOBAPUYGFIHW-UHFFFAOYSA-N -1 3 277.707 3.312 20 0 CGADHM Cc1nc(Nc2cccc(Br)c2F)cc(=O)[n-]1 ZINC001249685118 805210889 /nfs/dbraw/zinc/21/08/89/805210889.db2.gz BCUQCJRNORWBKU-UHFFFAOYSA-N -1 3 298.115 3.136 20 0 CGADHM Cc1nc2c(C)cccn2c1C(=O)Nc1ccc(F)c([O-])c1 ZINC001151222615 805284645 /nfs/dbraw/zinc/28/46/45/805284645.db2.gz VWFBVCSCXYAEJL-UHFFFAOYSA-N -1 3 299.305 3.048 20 0 CGADHM Cc1c(F)cc(-c2noc(-c3ccc([O-])cn3)n2)cc1F ZINC001212558147 815068089 /nfs/dbraw/zinc/06/80/89/815068089.db2.gz UGDHNCUAVOXVML-UHFFFAOYSA-N -1 3 289.241 3.091 20 0 CGADHM [O-]c1ccc(-c2nc(-c3ccc4ccncc4c3)no2)nc1 ZINC001212558085 815068224 /nfs/dbraw/zinc/06/82/24/815068224.db2.gz QOZLBIBKSWGNJC-UHFFFAOYSA-N -1 3 290.282 3.052 20 0 CGADHM [O-]c1ccc(-c2nc(-c3cccc4ccncc43)no2)nc1 ZINC001212557920 815068501 /nfs/dbraw/zinc/06/85/01/815068501.db2.gz IFFZMJDTFZJYKT-UHFFFAOYSA-N -1 3 290.282 3.052 20 0 CGADHM [O-]c1ccc(-c2nc(-c3ccc(Cl)c(F)c3)no2)nc1 ZINC001212558255 815068535 /nfs/dbraw/zinc/06/85/35/815068535.db2.gz YVYDZSOBLNWSFF-UHFFFAOYSA-N -1 3 291.669 3.297 20 0 CGADHM CCOc1cc(Nc2cc(=O)[n-]c(=S)[nH]2)ccc1Cl ZINC001212577878 815075679 /nfs/dbraw/zinc/07/56/79/815075679.db2.gz AKWNSKNAKMQZEB-UHFFFAOYSA-N -1 3 297.767 3.267 20 0 CGADHM COc1cc(OC)c(Nc2ncc(F)cc2[O-])cc1Cl ZINC001250092938 805412376 /nfs/dbraw/zinc/41/23/76/805412376.db2.gz KCQFBNMOKUDVRV-UHFFFAOYSA-N -1 3 298.701 3.341 20 0 CGADHM CSc1cnc(F)c(Nc2ncc(Cl)cc2[O-])c1 ZINC001250137768 805438637 /nfs/dbraw/zinc/43/86/37/805438637.db2.gz JZEPYAGLDDINBS-UHFFFAOYSA-N -1 3 285.731 3.440 20 0 CGADHM O=C(C[C@H]1CCc2ccccc2C1)[N-]Oc1ccccc1F ZINC001154216024 805440247 /nfs/dbraw/zinc/44/02/47/805440247.db2.gz SRHDEPZIMTZBEO-ZDUSSCGKSA-N -1 3 299.345 3.431 20 0 CGADHM O=C(NCc1ncccc1[O-])c1ccc2ccccc2c1F ZINC001154298112 805447211 /nfs/dbraw/zinc/44/72/11/805447211.db2.gz IAMFLGDALHAYPQ-UHFFFAOYSA-N -1 3 296.301 3.010 20 0 CGADHM [O-]c1cc(Nc2ccn3nccc3c2)ccc1Cl ZINC001212590216 815078592 /nfs/dbraw/zinc/07/85/92/815078592.db2.gz AJLYQEIVZJZRMR-UHFFFAOYSA-N -1 3 259.696 3.437 20 0 CGADHM COc1cnc(Cl)c(Nc2ccc(Cl)c([O-])c2)n1 ZINC001212590594 815078968 /nfs/dbraw/zinc/07/89/68/815078968.db2.gz UDKWCRRMACBTMT-UHFFFAOYSA-N -1 3 286.118 3.241 20 0 CGADHM [O-]c1cc(Nc2ccc[nH]c2=S)ccc1Cl ZINC001212589325 815079098 /nfs/dbraw/zinc/07/90/98/815079098.db2.gz FWHNHADKOKFRBA-UHFFFAOYSA-N -1 3 252.726 3.473 20 0 CGADHM [O-]c1cc(Nc2cc3n(n2)CC2(CC2)CO3)ccc1Cl ZINC001212591312 815080107 /nfs/dbraw/zinc/08/01/07/815080107.db2.gz GKFPIXDIWJTPCT-UHFFFAOYSA-N -1 3 291.738 3.158 20 0 CGADHM Nc1cccc2c1CCN2c1ccc(Cl)c([O-])c1 ZINC001212594942 815081309 /nfs/dbraw/zinc/08/13/09/815081309.db2.gz DXJSFFPDBNRSKF-UHFFFAOYSA-N -1 3 260.724 3.322 20 0 CGADHM O=C1Cc2ccc(Nc3ccc([O-])c(Cl)c3)cc2N1 ZINC001250317948 805563691 /nfs/dbraw/zinc/56/36/91/805563691.db2.gz KVQNOHPOSPLBDW-UHFFFAOYSA-N -1 3 274.707 3.284 20 0 CGADHM Cc1ccc([C@@H]2C[C@@H]2c2nnc(-c3cncc([O-])c3)o2)cc1 ZINC001257290598 807087887 /nfs/dbraw/zinc/08/78/87/807087887.db2.gz YUHGMSSAXCDQTM-GJZGRUSLSA-N -1 3 293.326 3.417 20 0 CGADHM [O-]c1cncc(-c2nc(-c3cccc4occc43)no2)c1 ZINC001212708462 815109278 /nfs/dbraw/zinc/10/92/78/815109278.db2.gz JKEQWJMGVWZGRF-UHFFFAOYSA-N -1 3 279.255 3.250 20 0 CGADHM [O-]c1cncc(-c2nc(-c3cccc4ccncc43)no2)c1 ZINC001212708242 815109345 /nfs/dbraw/zinc/10/93/45/815109345.db2.gz BRQGXDSBLOSYRD-UHFFFAOYSA-N -1 3 290.282 3.052 20 0 CGADHM Cc1ccc([O-])c(-c2nnc(-c3ccc4c(c3)CCC4)o2)n1 ZINC001258232521 807380643 /nfs/dbraw/zinc/38/06/43/807380643.db2.gz DVXZHYGJPRRKCI-UHFFFAOYSA-N -1 3 293.326 3.301 20 0 CGADHM Cc1cc(O)cc([O-])c1-c1nnc(CCC(C)C)o1 ZINC001258363135 807428399 /nfs/dbraw/zinc/42/83/99/807428399.db2.gz UHHPYDOLPDPNBB-UHFFFAOYSA-N -1 3 262.309 3.045 20 0 CGADHM Cc1ccccc1Cc1nnc(Cc2ccc([O-])c(F)c2)o1 ZINC001258367135 807430681 /nfs/dbraw/zinc/43/06/81/807430681.db2.gz BIRQDKXSENJWLE-UHFFFAOYSA-N -1 3 298.317 3.404 20 0 CGADHM [O-]c1ccc(Cc2nnc(CC3CCCC3)o2)cc1F ZINC001258594732 807494572 /nfs/dbraw/zinc/49/45/72/807494572.db2.gz PGGQFKNZRFDBKF-UHFFFAOYSA-N -1 3 276.311 3.238 20 0 CGADHM NCc1ccc2c(n1)N(c1cc(F)ccc1[S-])CCC2 ZINC001169590599 807672127 /nfs/dbraw/zinc/67/21/27/807672127.db2.gz KPQAGZIZXYYONU-UHFFFAOYSA-N -1 3 289.379 3.052 20 0 CGADHM O=S(=O)([N-]c1cc2ccccc2cc1O)C1CCCC1 ZINC001259800808 807685855 /nfs/dbraw/zinc/68/58/55/807685855.db2.gz MZZDCTLXSLEADM-UHFFFAOYSA-N -1 3 291.372 3.230 20 0 CGADHM Cc1csc2ccc(NCc3ncccc3[O-])nc12 ZINC001169734374 807701437 /nfs/dbraw/zinc/70/14/37/807701437.db2.gz VRWDKAZGQRWSSH-UHFFFAOYSA-N -1 3 271.345 3.317 20 0 CGADHM CC[C@H](C)S(=O)(=O)[N-]c1cc(Cl)c(F)cc1OC ZINC001260743063 807704182 /nfs/dbraw/zinc/70/41/82/807704182.db2.gz IRSXHWGHTUBMIT-ZETCQYMHSA-N -1 3 295.763 3.028 20 0 CGADHM CC[C@@H](C)S(=O)(=O)[N-]c1ccccc1OCC1CC1 ZINC001260743418 807704538 /nfs/dbraw/zinc/70/45/38/807704538.db2.gz NCXBIRXFOXZYRB-LLVKDONJSA-N -1 3 283.393 3.016 20 0 CGADHM Cc1ccc2c(cccc2Nc2cnc(C)[n-]c2=O)n1 ZINC001212796973 815141685 /nfs/dbraw/zinc/14/16/85/815141685.db2.gz PSIINLFGMXPVLF-UHFFFAOYSA-N -1 3 266.304 3.091 20 0 CGADHM Cc1ccc(-c2cnnc([N-]COc3ccccc3)n2)cc1 ZINC001170807151 807912307 /nfs/dbraw/zinc/91/23/07/807912307.db2.gz YSITVAKXCOKLQP-UHFFFAOYSA-N -1 3 292.342 3.295 20 0 CGADHM O=P([O-])([O-])CCCC[NH2+]C1CCC2(CCCC2)CC1 ZINC001172724764 808420605 /nfs/dbraw/zinc/42/06/05/808420605.db2.gz ZWZSZALDNFVYDF-UHFFFAOYSA-N -1 3 289.356 3.037 20 0 CGADHM [O-]c1cc(Nc2cccc3[nH]cnc32)c(F)cc1F ZINC001213032237 815205770 /nfs/dbraw/zinc/20/57/70/815205770.db2.gz ZNROZUUQTAWDMS-UHFFFAOYSA-N -1 3 261.231 3.290 20 0 CGADHM CN1CCOc2cc(Nc3ccc([O-])c(F)c3F)ccc21 ZINC001213043449 815210328 /nfs/dbraw/zinc/21/03/28/815210328.db2.gz FJZYZLAGZHJDBT-UHFFFAOYSA-N -1 3 292.285 3.243 20 0 CGADHM [O-]c1ccc(Nc2ccc3c(c2)CCO3)c(F)c1F ZINC001174010358 808819685 /nfs/dbraw/zinc/81/96/85/808819685.db2.gz FJZOWKLPYXTTRI-UHFFFAOYSA-N -1 3 263.243 3.349 20 0 CGADHM CN(C)C(=O)c1cccc(Nc2cccc([O-])c2Cl)c1 ZINC001174087568 808855503 /nfs/dbraw/zinc/85/55/03/808855503.db2.gz YRHQEIUSFAWUQM-UHFFFAOYSA-N -1 3 290.750 3.491 20 0 CGADHM [O-]c1cc(Nc2cnc3[nH]ccc3c2)c(F)cc1F ZINC001174398655 808996599 /nfs/dbraw/zinc/99/65/99/808996599.db2.gz XCGWAGSOPDRBPH-UHFFFAOYSA-N -1 3 261.231 3.242 20 0 CGADHM [O-]c1cc(Cl)cnc1Nc1ccnc2[nH]ccc21 ZINC001174407759 809002077 /nfs/dbraw/zinc/00/20/77/809002077.db2.gz BTUMKOONXONTGO-UHFFFAOYSA-N -1 3 260.684 3.012 20 0 CGADHM [O-]c1ccc(Nc2ccc3cn[nH]c3c2)c(F)c1F ZINC001174500494 809049311 /nfs/dbraw/zinc/04/93/11/809049311.db2.gz PXVHIBBEMSVCQC-UHFFFAOYSA-N -1 3 261.231 3.290 20 0 CGADHM [O-]c1ccc(Nc2ccc3c[nH]nc3c2)c(F)c1F ZINC001174500494 809049317 /nfs/dbraw/zinc/04/93/17/809049317.db2.gz PXVHIBBEMSVCQC-UHFFFAOYSA-N -1 3 261.231 3.290 20 0 CGADHM O=c1cc(Nc2ccc(N3CCCC3)cc2)nc(C2CC2)[n-]1 ZINC001174525469 809061889 /nfs/dbraw/zinc/06/18/89/809061889.db2.gz RUNFZBKHEBDKOU-UHFFFAOYSA-N -1 3 296.374 3.403 20 0 CGADHM Cc1ncc(Nc2ccc(C(F)(F)F)cc2)c(=O)[n-]1 ZINC001174772904 809161366 /nfs/dbraw/zinc/16/13/66/809161366.db2.gz JITQRHWTRDAOQC-UHFFFAOYSA-N -1 3 269.226 3.253 20 0 CGADHM [O-]c1c(F)cc(Nc2cccc(Cl)n2)cc1F ZINC001213370700 815270934 /nfs/dbraw/zinc/27/09/34/815270934.db2.gz MLOYAJFZRFGWFC-UHFFFAOYSA-N -1 3 256.639 3.462 20 0 CGADHM Cc1ccc(C(=O)[O-])cc1Nc1ccccc1CN(C)C ZINC001174984371 809226372 /nfs/dbraw/zinc/22/63/72/809226372.db2.gz MJBNBMLJYOBLFG-UHFFFAOYSA-N -1 3 284.359 3.498 20 0 CGADHM Cc1ccc(C(=O)[O-])cc1Nc1ccc2c(c1)CN(C)CC2 ZINC001174986680 809227634 /nfs/dbraw/zinc/22/76/34/809227634.db2.gz STKDUBHVLXJICT-UHFFFAOYSA-N -1 3 296.370 3.425 20 0 CGADHM Cc1cnc(Nc2cc(F)c([O-])c(F)c2)c(C)c1 ZINC001213375029 815272516 /nfs/dbraw/zinc/27/25/16/815272516.db2.gz MENGPUBBIFVQFL-UHFFFAOYSA-N -1 3 250.248 3.426 20 0 CGADHM COc1cc(F)cc(Nc2cc(=O)n(-c3ccccc3)[n-]2)c1 ZINC001175007579 809236105 /nfs/dbraw/zinc/23/61/05/809236105.db2.gz DYOXKOIXRHYSOJ-UHFFFAOYSA-N -1 3 299.305 3.469 20 0 CGADHM COc1cc(F)cc([N-]c2noc(C(C)(C)C)n2)c1 ZINC001175007762 809236513 /nfs/dbraw/zinc/23/65/13/809236513.db2.gz VLQCYFRVQATBBJ-UHFFFAOYSA-N -1 3 265.288 3.258 20 0 CGADHM [O-]c1c(F)cc(Nc2ccc(-c3nnco3)cc2)cc1F ZINC001213381920 815274468 /nfs/dbraw/zinc/27/44/68/815274468.db2.gz PNPXVYZBDROGTE-UHFFFAOYSA-N -1 3 289.241 3.464 20 0 CGADHM Nc1cc(F)cc(F)c1Nc1c(F)cc([O-])cc1F ZINC001175099996 809270999 /nfs/dbraw/zinc/27/09/99/809270999.db2.gz LVQFTIMGYKZASI-UHFFFAOYSA-N -1 3 272.201 3.274 20 0 CGADHM O=C1OCc2cccc(Nc3c(F)cc([O-])cc3F)c21 ZINC001175103689 809272820 /nfs/dbraw/zinc/27/28/20/809272820.db2.gz VWGSPQCHYUUXKH-UHFFFAOYSA-N -1 3 277.226 3.084 20 0 CGADHM Cc1ncc(Nc2cc(F)cc(OC(C)C)c2)c(=O)[n-]1 ZINC001175141542 809287340 /nfs/dbraw/zinc/28/73/40/809287340.db2.gz FKQOPSVBMOLTBQ-UHFFFAOYSA-N -1 3 277.299 3.161 20 0 CGADHM [O-]c1ccc(F)c(Nc2ccncc2C(F)(F)F)c1F ZINC001175262013 809327634 /nfs/dbraw/zinc/32/76/34/809327634.db2.gz XFDWDIJTVBQJID-UHFFFAOYSA-N -1 3 290.191 3.250 20 0 CGADHM [O-]c1ccc(F)c(Nc2cccnc2Cl)c1F ZINC001175261850 809327751 /nfs/dbraw/zinc/32/77/51/809327751.db2.gz SLSMLGWOLRKVCM-UHFFFAOYSA-N -1 3 256.639 3.462 20 0 CGADHM Cc1cc(C[C@H](C)Nc2c(F)ccc([O-])c2F)on1 ZINC001175261260 809328508 /nfs/dbraw/zinc/32/85/08/809328508.db2.gz JAYCWDUCGREIPW-ZETCQYMHSA-N -1 3 268.263 3.010 20 0 CGADHM Cc1nc2c(C)cc(Nc3c(F)ccc([O-])c3F)cn2n1 ZINC001175264099 809330241 /nfs/dbraw/zinc/33/02/41/809330241.db2.gz RVZOGAXLWHNBHM-UHFFFAOYSA-N -1 3 290.273 3.074 20 0 CGADHM COc1cc(Nc2c(F)ccc([O-])c2F)cnc1Cl ZINC001175264594 809330296 /nfs/dbraw/zinc/33/02/96/809330296.db2.gz YODXENJOPKIQBG-UHFFFAOYSA-N -1 3 286.665 3.471 20 0 CGADHM [O-]c1ccc(F)c(Nc2ccc3nsnc3c2)c1F ZINC001175266281 809331101 /nfs/dbraw/zinc/33/11/01/809331101.db2.gz WIEDRGFAOYNPFO-UHFFFAOYSA-N -1 3 279.271 3.419 20 0 CGADHM Cc1cccc(N)c1Nc1c(F)ccc([O-])c1F ZINC001175268432 809332922 /nfs/dbraw/zinc/33/29/22/809332922.db2.gz NKXGWTGMGTXPBG-UHFFFAOYSA-N -1 3 250.248 3.305 20 0 CGADHM Nc1cc2c(ccn2-c2c(F)ccc([O-])c2F)c(F)c1 ZINC001175267782 809333025 /nfs/dbraw/zinc/33/30/25/809333025.db2.gz GHRORCQXUOSNEL-UHFFFAOYSA-N -1 3 278.233 3.336 20 0 CGADHM NC(=O)c1ccc(Cl)cc1Nc1c(F)ccc([O-])c1F ZINC001175268075 809333277 /nfs/dbraw/zinc/33/32/77/809333277.db2.gz GJQUTMGDSOKXCW-UHFFFAOYSA-N -1 3 298.676 3.166 20 0 CGADHM O=c1ccc2cc(Nc3c(F)ccc([O-])c3F)ccc2[nH]1 ZINC001175268151 809333483 /nfs/dbraw/zinc/33/34/83/809333483.db2.gz LPDAFKXXNKVWOV-UHFFFAOYSA-N -1 3 288.253 3.256 20 0 CGADHM [O-]c1ccc(F)c(Nc2cccc3nnsc32)c1F ZINC001175270047 809334398 /nfs/dbraw/zinc/33/43/98/809334398.db2.gz UDWVPFDVNDHGQS-UHFFFAOYSA-N -1 3 279.271 3.419 20 0 CGADHM Cc1ncc(Nc2c(F)cccc2C2CC2)c(=O)[n-]1 ZINC001213449134 815283835 /nfs/dbraw/zinc/28/38/35/815283835.db2.gz DGIYIJOCYRGWMN-UHFFFAOYSA-N -1 3 259.284 3.251 20 0 CGADHM CC(C)(C)c1cncc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001175429335 809401233 /nfs/dbraw/zinc/40/12/33/809401233.db2.gz VXBKZLPAZXOUIG-UHFFFAOYSA-N -1 3 294.362 3.303 20 0 CGADHM c1cc(Nc2ccc(-c3nn[n-]n3)cc2)cc2c1CN=N2 ZINC001175431978 809402763 /nfs/dbraw/zinc/40/27/63/809402763.db2.gz DNTYLQXGJAPARV-UHFFFAOYSA-N -1 3 277.291 3.208 20 0 CGADHM C[S@](=O)c1ccc(Nc2cc(F)c([O-])c(F)c2)cc1 ZINC001175476592 809421854 /nfs/dbraw/zinc/42/18/54/809421854.db2.gz PAYRPJQHOWBQLL-IBGZPJMESA-N -1 3 283.299 3.151 20 0 CGADHM CCCC[C@@H](CCC)NC(=O)c1cc2c(cc1[O-])OCO2 ZINC001294376502 809466918 /nfs/dbraw/zinc/46/69/18/809466918.db2.gz MZVFMGSKQUGCIW-LLVKDONJSA-N -1 3 293.363 3.210 20 0 CGADHM Cc1cc(-c2noc(-c3cc(Cl)n[n-]3)n2)c(F)cc1F ZINC001213500653 815291320 /nfs/dbraw/zinc/29/13/20/815291320.db2.gz NSSCNZIOSBGEOO-UHFFFAOYSA-N -1 3 296.664 3.367 20 0 CGADHM Cc1cc(C)c(Nc2ncc(Br)cc2[O-])cn1 ZINC001213503778 815292290 /nfs/dbraw/zinc/29/22/90/815292290.db2.gz XOYHEENTABPXCG-UHFFFAOYSA-N -1 3 294.152 3.305 20 0 CGADHM CC(C)(C)c1nnc([N-]c2cccc3c[nH]nc32)s1 ZINC001175634991 809482632 /nfs/dbraw/zinc/48/26/32/809482632.db2.gz BOIAZOYVCWQENP-UHFFFAOYSA-N -1 3 273.365 3.456 20 0 CGADHM [O-]c1cc(Nc2cccc3c[nH]nc32)c(F)cc1F ZINC001175639642 809484630 /nfs/dbraw/zinc/48/46/30/809484630.db2.gz SWSSZBDTFKPGRS-UHFFFAOYSA-N -1 3 261.231 3.290 20 0 CGADHM Cc1cc(C(=O)Nc2cc(Cl)ccc2[O-])cc(C)n1 ZINC001295350822 809485648 /nfs/dbraw/zinc/48/56/48/809485648.db2.gz LFFKKKTVERYKTR-UHFFFAOYSA-N -1 3 276.723 3.310 20 0 CGADHM C/C(=C/C(=O)Nc1ncccc1[O-])c1cccc(Cl)c1 ZINC001296268715 809501177 /nfs/dbraw/zinc/50/11/77/809501177.db2.gz QFPOKPJWRXBAFB-NTMALXAHSA-N -1 3 288.734 3.483 20 0 CGADHM Cc1cc(C)c(C(=O)Nc2nc(C)ccc2[O-])s1 ZINC001297158926 809513747 /nfs/dbraw/zinc/51/37/47/809513747.db2.gz MPAQLJUITLIENZ-UHFFFAOYSA-N -1 3 262.334 3.026 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2ccc(C(F)F)cc2F)n1 ZINC001297158794 809514278 /nfs/dbraw/zinc/51/42/78/809514278.db2.gz KHOAFUDIICLVQR-UHFFFAOYSA-N -1 3 296.248 3.425 20 0 CGADHM [O-]c1cc(Cl)cnc1Nc1cnn(C2CCC2)c1 ZINC001175756339 809533462 /nfs/dbraw/zinc/53/34/62/809533462.db2.gz SRLLTAQTYOPGQS-UHFFFAOYSA-N -1 3 264.716 3.106 20 0 CGADHM Cc1nc(NC(=O)c2cc3c(cc2[O-])CCCC3)oc1C ZINC001301051554 809577763 /nfs/dbraw/zinc/57/77/63/809577763.db2.gz OPXXQVPPDQZKCU-UHFFFAOYSA-N -1 3 286.331 3.128 20 0 CGADHM O=C(NC[C@H]1C=CCC1)c1cc([O-])c2ccccc2c1 ZINC001303083266 809604261 /nfs/dbraw/zinc/60/42/61/809604261.db2.gz FEMHEXPUTXEUNJ-LBPRGKRZSA-N -1 3 267.328 3.241 20 0 CGADHM COc1ccncc1Nc1cccc(Cl)c1[O-] ZINC001176120784 809627473 /nfs/dbraw/zinc/62/74/73/809627473.db2.gz LRERKKDQALZHJV-UHFFFAOYSA-N -1 3 250.685 3.193 20 0 CGADHM Cc1ncc(Nc2ccc3cc(O)ccc3c2)c(=O)[n-]1 ZINC001176387497 809683024 /nfs/dbraw/zinc/68/30/24/809683024.db2.gz RTLSUWWOXBCUSC-UHFFFAOYSA-N -1 3 267.288 3.093 20 0 CGADHM O=c1cc(Nc2ccccc2Cl)nc(C2CC2)[n-]1 ZINC001176551459 809715830 /nfs/dbraw/zinc/71/58/30/809715830.db2.gz PVSHCDZSRGKHIU-UHFFFAOYSA-N -1 3 261.712 3.457 20 0 CGADHM Cc1nc(Nc2ccc(OC(F)(F)F)cc2)cc(=O)[n-]1 ZINC001176639718 809735116 /nfs/dbraw/zinc/73/51/16/809735116.db2.gz DVORENQDTOGDOM-UHFFFAOYSA-N -1 3 285.225 3.133 20 0 CGADHM Cc1ccc(F)c(-c2noc(-c3nc(C)ccc3[O-])n2)c1 ZINC001213698124 815322751 /nfs/dbraw/zinc/32/27/51/815322751.db2.gz PFDNYKADWILUTG-UHFFFAOYSA-N -1 3 285.278 3.260 20 0 CGADHM Cc1ccc([O-])c(-c2nc(-c3cc(F)ccc3C)no2)n1 ZINC001213698010 815322783 /nfs/dbraw/zinc/32/27/83/815322783.db2.gz KDIQCBZKAUIWRU-UHFFFAOYSA-N -1 3 285.278 3.260 20 0 CGADHM CCC(CC)CNc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001179308204 809914635 /nfs/dbraw/zinc/91/46/35/809914635.db2.gz OLIXVJCBBOFPPQ-UHFFFAOYSA-N -1 3 259.353 3.426 20 0 CGADHM Cc1nnc([N-]c2ccc(N3CCCCC3)cc2F)o1 ZINC001213835439 815338159 /nfs/dbraw/zinc/33/81/59/815338159.db2.gz XAVLUFHLLCRBSN-UHFFFAOYSA-N -1 3 276.315 3.251 20 0 CGADHM COc1ccccc1/C=C/C(=O)Nc1ccc(F)c([O-])c1 ZINC001180530019 810008028 /nfs/dbraw/zinc/00/80/28/810008028.db2.gz CZHLWBCLFXKTLG-RMKNXTFCSA-N -1 3 287.290 3.192 20 0 CGADHM CC(C)c1ccc(C(=O)N2C[C@@H](C)OCC[C@H]2C)c([O-])c1 ZINC001181242442 810043755 /nfs/dbraw/zinc/04/37/55/810043755.db2.gz SENYTZVQRDKOPS-CHWSQXEVSA-N -1 3 291.391 3.155 20 0 CGADHM O=S(=O)([N-]c1ccccc1OC1CCCC1)C1CCC1 ZINC001188129987 810455600 /nfs/dbraw/zinc/45/56/00/810455600.db2.gz CKNITQAHFUQWDT-UHFFFAOYSA-N -1 3 295.404 3.302 20 0 CGADHM O=C(NCc1ccco1)Nc1cc2ccccc2cc1[O-] ZINC001188168243 810461893 /nfs/dbraw/zinc/46/18/93/810461893.db2.gz GKYZHVQYXMEIAH-UHFFFAOYSA-N -1 3 282.299 3.460 20 0 CGADHM Cc1cccc([O-])c1C(=O)Nc1ccccc1-c1ncc[nH]1 ZINC001188655623 810500997 /nfs/dbraw/zinc/50/09/97/810500997.db2.gz RKEDBNBQHHWJEG-UHFFFAOYSA-N -1 3 293.326 3.343 20 0 CGADHM CC(C)(C)Cc1cc([N-]C(=O)Nc2nccs2)on1 ZINC001189342378 810560686 /nfs/dbraw/zinc/56/06/86/810560686.db2.gz HBVOMKZZZWYTBG-UHFFFAOYSA-N -1 3 280.353 3.364 20 0 CGADHM O=C(Nc1ccc(F)c([O-])c1)c1c[nH]c(-c2ccccc2)n1 ZINC001192215806 810776124 /nfs/dbraw/zinc/77/61/24/810776124.db2.gz NYCKOCXWGJXASH-UHFFFAOYSA-N -1 3 297.289 3.174 20 0 CGADHM Cc1ncc(NC(=O)Nc2ccccc2C(C)C)c(=O)[n-]1 ZINC001192227892 810778507 /nfs/dbraw/zinc/77/85/07/810778507.db2.gz ZZVZONCHPHTRQT-UHFFFAOYSA-N -1 3 286.335 3.258 20 0 CGADHM CC(=O)c1cccc([O-])c1NC(=O)OC1CCCCC1 ZINC001193632434 810923400 /nfs/dbraw/zinc/92/34/00/810923400.db2.gz HQONKSPZCCKJAB-UHFFFAOYSA-N -1 3 277.320 3.476 20 0 CGADHM O=C(N[C@H]1CC=CCC1)c1ccc([O-])cc1C(F)(F)F ZINC001193759162 810948244 /nfs/dbraw/zinc/94/82/44/810948244.db2.gz PBBAHRQQOWBPGQ-VIFPVBQESA-N -1 3 285.265 3.250 20 0 CGADHM Cc1cc(O)cc([O-])c1C(=O)Nc1cccc(C(C)C)n1 ZINC001193923184 810980330 /nfs/dbraw/zinc/98/03/30/810980330.db2.gz YYNVSWBLFAJUMG-UHFFFAOYSA-N -1 3 286.331 3.177 20 0 CGADHM Cc1cc(O)cc([O-])c1C(=O)Nc1cc(O)cc(Cl)c1 ZINC001193936344 810981940 /nfs/dbraw/zinc/98/19/40/810981940.db2.gz NBXFJACVEMNHJN-UHFFFAOYSA-N -1 3 293.706 3.018 20 0 CGADHM CC1=CC(=O)CN=C1[N-]C(=O)Oc1ccc(Cl)cc1 ZINC001194030012 811005220 /nfs/dbraw/zinc/00/52/20/811005220.db2.gz BXAJMQGUVSTYIP-UHFFFAOYSA-N -1 3 278.695 3.360 20 0 CGADHM CCCOC(=O)Nc1cc(Br)c(C)cc1[O-] ZINC001194123475 811018470 /nfs/dbraw/zinc/01/84/70/811018470.db2.gz SZTXNUKWJPTMQZ-UHFFFAOYSA-N -1 3 288.141 3.422 20 0 CGADHM Cn1nc2c(c1Nc1c(Cl)ccc([O-])c1F)CCC2 ZINC001214554036 815422009 /nfs/dbraw/zinc/42/20/09/815422009.db2.gz HQXHONVJCVSHQB-UHFFFAOYSA-N -1 3 281.718 3.151 20 0 CGADHM COC(=O)c1ncccc1Nc1c(Cl)ccc([O-])c1F ZINC001214554525 815423056 /nfs/dbraw/zinc/42/30/56/815423056.db2.gz TVMBYIFESMJQLW-UHFFFAOYSA-N -1 3 296.685 3.110 20 0 CGADHM CCOc1nccnc1Nc1c(Cl)ccc([O-])c1F ZINC001214555980 815423138 /nfs/dbraw/zinc/42/31/38/815423138.db2.gz DMLDXHYABKJPRA-UHFFFAOYSA-N -1 3 283.690 3.117 20 0 CGADHM Cc1c[nH]c(=O)cc1Nc1c(Cl)ccc([O-])c1F ZINC001214556457 815423293 /nfs/dbraw/zinc/42/32/93/815423293.db2.gz SVBIRRNUOOHPMQ-UHFFFAOYSA-N -1 3 268.675 3.337 20 0 CGADHM Nc1cn(-c2c(Cl)ccc([O-])c2F)c2cccnc12 ZINC001214555976 815423555 /nfs/dbraw/zinc/42/35/55/815423555.db2.gz DGDFQSSHBXCSFZ-UHFFFAOYSA-N -1 3 277.686 3.106 20 0 CGADHM COc1cc(Nc2c(Cl)ccc([O-])c2F)c(F)cn1 ZINC001214557970 815424783 /nfs/dbraw/zinc/42/47/83/815424783.db2.gz MQGFECRICCPOHW-UHFFFAOYSA-N -1 3 286.665 3.471 20 0 CGADHM CCCc1ccc(NC(=S)[N-]C(=O)OCC)cc1 ZINC001195449185 811255851 /nfs/dbraw/zinc/25/58/51/811255851.db2.gz JKQFWKIDBBEXOA-UHFFFAOYSA-N -1 3 266.366 3.082 20 0 CGADHM COc1ccc(NC(=S)Nc2c([O-])cccc2F)cc1 ZINC001195703422 811280400 /nfs/dbraw/zinc/28/04/00/811280400.db2.gz GSAODPUVSGTWCB-UHFFFAOYSA-N -1 3 292.335 3.349 20 0 CGADHM CCc1cccc(CN2Cc3nc(C4CC4)[n-]c(=O)c3C2)c1 ZINC001197469158 811424440 /nfs/dbraw/zinc/42/44/40/811424440.db2.gz SZOWYJLMEUODEU-UHFFFAOYSA-N -1 3 295.386 3.138 20 0 CGADHM Cc1nc(NC(=O)c2ccc(C)c(Cl)c2C)cc(=O)[n-]1 ZINC001198204410 811484407 /nfs/dbraw/zinc/48/44/07/811484407.db2.gz YQANOCDDRQIQTN-UHFFFAOYSA-N -1 3 291.738 3.013 20 0 CGADHM Cc1cccc2c1nc(N)n2-c1ccc(Cl)c([O-])c1F ZINC001214791537 815453271 /nfs/dbraw/zinc/45/32/71/815453271.db2.gz WPUDEYBZZRMFSL-UHFFFAOYSA-N -1 3 291.713 3.414 20 0 CGADHM C=CS(=O)(=O)[N-]c1cccc(Cl)c1C(F)(F)F ZINC001198610455 811525096 /nfs/dbraw/zinc/52/50/96/811525096.db2.gz ZZNJJIGERQKKDH-UHFFFAOYSA-N -1 3 285.674 3.244 20 0 CGADHM O=C(Nc1ccc(F)c([O-])c1)c1ccc2c(c1)CCCC2=O ZINC001198908264 811552236 /nfs/dbraw/zinc/55/22/36/811552236.db2.gz ZSEZPLBIWUFTEC-UHFFFAOYSA-N -1 3 299.301 3.303 20 0 CGADHM CCCCCCNC(=S)Nc1ccc(F)c([O-])c1 ZINC001200954501 811773422 /nfs/dbraw/zinc/77/34/22/811773422.db2.gz MVRQVPBVEUICTP-UHFFFAOYSA-N -1 3 270.373 3.398 20 0 CGADHM Cc1cc(NC(=S)Nc2ncccc2[O-])ccc1F ZINC001201025685 811778284 /nfs/dbraw/zinc/77/82/84/811778284.db2.gz FLDRUTBDUPNAHR-UHFFFAOYSA-N -1 3 277.324 3.044 20 0 CGADHM CC(=O)c1cccc([O-])c1NC(=O)c1cccc2cc[nH]c21 ZINC001201321872 811812998 /nfs/dbraw/zinc/81/29/98/811812998.db2.gz FSTVMYDKBAWIMY-UHFFFAOYSA-N -1 3 294.310 3.328 20 0 CGADHM CC(C)Oc1ccc(-c2noc(-c3ccccc3[O-])n2)cn1 ZINC001215142065 815488142 /nfs/dbraw/zinc/48/81/42/815488142.db2.gz KBHLZKZUYCJFLR-UHFFFAOYSA-N -1 3 297.314 3.291 20 0 CGADHM COc1ccc(C(C)=O)c(Nc2cncc([O-])c2)c1C ZINC001201641891 811928629 /nfs/dbraw/zinc/92/86/29/811928629.db2.gz VSFMMOPKIRSDCN-UHFFFAOYSA-N -1 3 272.304 3.050 20 0 CGADHM O=C1CCc2cc(-c3noc(-c4ccccc4[O-])n3)ccc21 ZINC001215142216 815488037 /nfs/dbraw/zinc/48/80/37/815488037.db2.gz QPNWFROMRSAECE-UHFFFAOYSA-N -1 3 292.294 3.238 20 0 CGADHM CC(C)(C)NC(=O)Nc1ccc(Br)cc1[O-] ZINC001202476455 812104192 /nfs/dbraw/zinc/10/41/92/812104192.db2.gz BPGTVZNJKCKIJS-UHFFFAOYSA-N -1 3 287.157 3.075 20 0 CGADHM C[C@H](NC(=O)Nc1cc(F)ccc1[O-])c1ccccc1 ZINC001202506365 812109735 /nfs/dbraw/zinc/10/97/35/812109735.db2.gz WZRHBNNXGCGAPH-JTQLQIEISA-N -1 3 274.295 3.414 20 0 CGADHM [O-]c1cc(F)c(Nc2ccc(F)c3n[nH]cc32)c(F)c1 ZINC001215382697 815513210 /nfs/dbraw/zinc/51/32/10/815513210.db2.gz WEUSKECZLSXLCD-UHFFFAOYSA-N -1 3 279.221 3.429 20 0 CGADHM Cc1cc(C)c(NC(=O)Nc2cc(=O)[n-]c(C)n2)c(C)c1 ZINC001202950162 812207466 /nfs/dbraw/zinc/20/74/66/812207466.db2.gz OMQZNMHBZSXSRJ-UHFFFAOYSA-N -1 3 286.335 3.060 20 0 CGADHM [O-]c1cc(F)c(Nc2ccc(Cl)nc2)cc1F ZINC001215570850 815536234 /nfs/dbraw/zinc/53/62/34/815536234.db2.gz YDIMREUPBMWBGF-UHFFFAOYSA-N -1 3 256.639 3.462 20 0 CGADHM C[C@]1(F)CCCCN(Cc2ccc(C(=O)[O-])cc2)C1 ZINC001204150309 812557950 /nfs/dbraw/zinc/55/79/50/812557950.db2.gz FHVQDBUVVAQDBB-HNNXBMFYSA-N -1 3 265.328 3.099 20 0 CGADHM Cc1cnn(CC2CC2)c1Nc1cc(F)c([O-])cc1F ZINC001215572805 815538755 /nfs/dbraw/zinc/53/87/55/815538755.db2.gz XFMZPBYVISTTPP-UHFFFAOYSA-N -1 3 279.290 3.329 20 0 CGADHM Clc1ccc2oc([N-]c3cnc4ccnn4c3)nc2c1 ZINC001204765953 812729023 /nfs/dbraw/zinc/72/90/23/812729023.db2.gz QDVMXJYOWHOARB-UHFFFAOYSA-N -1 3 285.694 3.268 20 0 CGADHM CC[C@@H]1C[C@@H](C)CN1Cc1ncc(Br)cc1[O-] ZINC001204775297 812733319 /nfs/dbraw/zinc/73/33/19/812733319.db2.gz BOUYCHCGPYTCNE-MWLCHTKSSA-N -1 3 299.212 3.170 20 0 CGADHM [O-]c1ccc(-c2ncccc2OC(F)(F)F)c(F)c1 ZINC001206021208 813168927 /nfs/dbraw/zinc/16/89/27/813168927.db2.gz JTVGTSSUXTYGGS-UHFFFAOYSA-N -1 3 273.185 3.492 20 0 CGADHM Oc1ccc(-c2cc(C(F)(F)F)[n-]c(=S)n2)c(F)c1 ZINC001206037062 813175697 /nfs/dbraw/zinc/17/56/97/813175697.db2.gz BSLARUHKZYBCKW-UHFFFAOYSA-N -1 3 290.241 3.296 20 0 CGADHM [O-]c1ccc(-c2cc(C(F)(F)F)[nH]c(=S)n2)c(F)c1 ZINC001206037062 813175703 /nfs/dbraw/zinc/17/57/03/813175703.db2.gz BSLARUHKZYBCKW-UHFFFAOYSA-N -1 3 290.241 3.296 20 0 CGADHM [O-]c1ccc(-c2nnc3c(c2C(F)(F)F)CCC3)c(F)c1 ZINC001206044688 813179351 /nfs/dbraw/zinc/17/93/51/813179351.db2.gz RVRQPSCAKGOYBH-UHFFFAOYSA-N -1 3 298.239 3.496 20 0 CGADHM Cc1nc(C(=O)OC(C)C)ccc1-c1ccc([O-])cc1F ZINC001206080906 813193525 /nfs/dbraw/zinc/19/35/25/813193525.db2.gz PWGSNDIWHLQDKO-UHFFFAOYSA-N -1 3 289.306 3.467 20 0 CGADHM O=c1cc(Nc2cc(F)cc(F)c2F)nc(C2CC2)[n-]1 ZINC001206383205 813309847 /nfs/dbraw/zinc/30/98/47/813309847.db2.gz PKLFWUSXQUSCRM-UHFFFAOYSA-N -1 3 281.237 3.221 20 0 CGADHM O=C1CCc2cc(Nc3cc([O-])cc(F)c3)ccc21 ZINC001206851781 813451417 /nfs/dbraw/zinc/45/14/17/813451417.db2.gz VHQDMPMBSDPDCA-UHFFFAOYSA-N -1 3 257.264 3.404 20 0 CGADHM Cc1nc(Nc2ccc(OC(C)C)cc2F)cc(=O)[n-]1 ZINC001209832444 814155684 /nfs/dbraw/zinc/15/56/84/814155684.db2.gz HSTIDCCFAPWXKD-UHFFFAOYSA-N -1 3 277.299 3.161 20 0 CGADHM [O-]c1cccc2sc(Nc3ccc(F)c(CO)c3)nc21 ZINC001209872387 814180274 /nfs/dbraw/zinc/18/02/74/814180274.db2.gz BBBBYNLRFWRJEK-UHFFFAOYSA-N -1 3 290.319 3.377 20 0 CGADHM COc1cc(C(F)(F)F)ccc1Nc1cnc(C)[n-]c1=O ZINC001209883040 814187425 /nfs/dbraw/zinc/18/74/25/814187425.db2.gz WJKJJMMJBSWFRB-UHFFFAOYSA-N -1 3 299.252 3.262 20 0 CGADHM [O-]c1cc(Cl)cnc1Nc1ccc(F)cc1O ZINC001210016357 814245291 /nfs/dbraw/zinc/24/52/91/814245291.db2.gz KUDPSNDICQYIDO-UHFFFAOYSA-N -1 3 254.648 3.029 20 0 CGADHM Cc1cccc(Nc2ccc([O-])c(F)c2F)c1O ZINC001210188468 814327406 /nfs/dbraw/zinc/32/74/06/814327406.db2.gz NWZXOXIGZOZXAL-UHFFFAOYSA-N -1 3 251.232 3.428 20 0 CGADHM COc1cc(CO)ccc1Nc1cccc(Cl)c1[O-] ZINC001210223101 814350205 /nfs/dbraw/zinc/35/02/05/814350205.db2.gz JHQVJGMFBCEXFJ-UHFFFAOYSA-N -1 3 279.723 3.290 20 0 CGADHM CN(C)c1cncc(Nc2cccc([O-])c2Cl)c1 ZINC001210477580 814480228 /nfs/dbraw/zinc/48/02/28/814480228.db2.gz ZKVNRTVVOACQHA-UHFFFAOYSA-N -1 3 263.728 3.250 20 0 CGADHM [O-]c1c(F)cc(Nc2ccc(CO)c(F)c2)cc1F ZINC001210485152 814482978 /nfs/dbraw/zinc/48/29/78/814482978.db2.gz LBAGXYOJTTXNHE-UHFFFAOYSA-N -1 3 269.222 3.045 20 0 CGADHM [O-]c1cc(F)cnc1Nc1cccc(F)c1Cl ZINC001210540906 814515843 /nfs/dbraw/zinc/51/58/43/814515843.db2.gz QSPVPJZTJUIXDX-UHFFFAOYSA-N -1 3 256.639 3.462 20 0 CGADHM COc1cc(F)c(F)cc1Nc1cc(=O)[n-]c(C2CC2)n1 ZINC001210546142 814518563 /nfs/dbraw/zinc/51/85/63/814518563.db2.gz DXEAGCLJOPFKTO-UHFFFAOYSA-N -1 3 293.273 3.090 20 0 CGADHM [O-]c1cccc(Nc2cn3nc(Cl)ccc3n2)c1Cl ZINC001210852048 814650690 /nfs/dbraw/zinc/65/06/90/814650690.db2.gz SSWIZURZTZQBBQ-UHFFFAOYSA-N -1 3 295.129 3.485 20 0 CGADHM [O-]c1cccc(Nc2cnc(F)c(F)c2)c1Cl ZINC001210855236 814652432 /nfs/dbraw/zinc/65/24/32/814652432.db2.gz LCBSARDHHWUINX-UHFFFAOYSA-N -1 3 256.639 3.462 20 0 CGADHM COc1ccc(CO)c(Nc2cccc([O-])c2Cl)c1 ZINC001210859920 814653486 /nfs/dbraw/zinc/65/34/86/814653486.db2.gz MGAQZZYGFPDKND-UHFFFAOYSA-N -1 3 279.723 3.290 20 0 CGADHM COc1ccc(CO)cc1Nc1cccc([O-])c1Cl ZINC001210859986 814655451 /nfs/dbraw/zinc/65/54/51/814655451.db2.gz PFPKZKWBEQHMIT-UHFFFAOYSA-N -1 3 279.723 3.290 20 0 CGADHM [O-]c1cc(Cl)c(Nc2ccncn2)cc1Cl ZINC001211029898 814712156 /nfs/dbraw/zinc/71/21/56/814712156.db2.gz IARAZRXEKZQCSJ-UHFFFAOYSA-N -1 3 256.092 3.233 20 0 CGADHM COc1ncc(Nc2cc([O-])c(F)cc2F)cc1Cl ZINC001211047755 814722009 /nfs/dbraw/zinc/72/20/09/814722009.db2.gz OYWMXBDPHYTLCG-UHFFFAOYSA-N -1 3 286.665 3.471 20 0 CGADHM Cc1nc2cncc(-c3cccc([O-])c3Cl)c2[nH]1 ZINC001242801970 823137209 /nfs/dbraw/zinc/13/72/09/823137209.db2.gz JVDDBCIJIQBXMG-UHFFFAOYSA-N -1 3 259.696 3.292 20 0 CGADHM COc1ccc(Nc2ccc(F)c([O-])c2)c(C(C)=O)c1 ZINC001211220756 814854808 /nfs/dbraw/zinc/85/48/08/814854808.db2.gz JFOGLKBWFOBMLM-UHFFFAOYSA-N -1 3 275.279 3.486 20 0 CGADHM O=C1CCc2cccc(Nc3ccc(F)c([O-])c3)c21 ZINC001211220904 814855213 /nfs/dbraw/zinc/85/52/13/814855213.db2.gz WUFHSYIQXHBNRO-UHFFFAOYSA-N -1 3 257.264 3.404 20 0 CGADHM COc1cccc(Nc2nc3c(cccc3[O-])s2)n1 ZINC001211296030 814872442 /nfs/dbraw/zinc/87/24/42/814872442.db2.gz NUICBVDGHPPKAF-UHFFFAOYSA-N -1 3 273.317 3.149 20 0 CGADHM Cc1ccc(Nc2ccc3c(c2)CN(C)CC3)cc1C(=O)[O-] ZINC001211607912 814917038 /nfs/dbraw/zinc/91/70/38/814917038.db2.gz CSGNRZSZNQGWMF-UHFFFAOYSA-N -1 3 296.370 3.425 20 0 CGADHM CSc1cc(F)cc(Nc2cnc(C)[n-]c2=O)c1 ZINC001215902600 815624502 /nfs/dbraw/zinc/62/45/02/815624502.db2.gz DRYHUSBYFYMEPO-UHFFFAOYSA-N -1 3 265.313 3.095 20 0 CGADHM COc1c(O)cccc1Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001216349479 815795624 /nfs/dbraw/zinc/79/56/24/815795624.db2.gz SSKCEBSSHXQJHZ-UHFFFAOYSA-N -1 3 297.314 3.036 20 0 CGADHM O=c1cc(Nc2cc(F)c(F)cc2Cl)[nH]c(=S)[n-]1 ZINC001216369494 815800791 /nfs/dbraw/zinc/80/07/91/815800791.db2.gz FOSXJTGAHRGVJR-UHFFFAOYSA-N -1 3 289.694 3.146 20 0 CGADHM O=c1cc(Nc2ccc(O)cc2Cl)nc(C2CC2)[n-]1 ZINC001216426289 815824363 /nfs/dbraw/zinc/82/43/63/815824363.db2.gz WMTWNMNWBXLHLQ-UHFFFAOYSA-N -1 3 277.711 3.162 20 0 CGADHM Cc1c(Nc2ccccc2CN(C)C)cccc1C(=O)[O-] ZINC001216661182 815887519 /nfs/dbraw/zinc/88/75/19/815887519.db2.gz BOYSCKCBDHEKOI-UHFFFAOYSA-N -1 3 284.359 3.498 20 0 CGADHM Cc1cncc(-c2noc(-c3[n-]nc4c3cccc4F)n2)c1 ZINC001217323319 815919589 /nfs/dbraw/zinc/91/95/89/815919589.db2.gz SADKIVNMDVVRQX-UHFFFAOYSA-N -1 3 295.277 3.122 20 0 CGADHM Cc1cc([O-])c(Cl)cc1OC1CCC(O)CC1 ZINC001218368454 816181246 /nfs/dbraw/zinc/18/12/46/816181246.db2.gz NPEQHWHZOGRNRI-UHFFFAOYSA-N -1 3 256.729 3.036 20 0 CGADHM [S-]c1ccccc1O[C@H]1CNCc2ccccc21 ZINC001218484467 816239313 /nfs/dbraw/zinc/23/93/13/816239313.db2.gz PVVNOBAQHOEQKN-AWEZNQCLSA-N -1 3 257.358 3.199 20 0 CGADHM C=CC(=O)Oc1ccc(-c2ccc(F)c([O-])c2)cc1 ZINC001243051472 823228356 /nfs/dbraw/zinc/22/83/56/823228356.db2.gz QIPLRRJARGGIJC-UHFFFAOYSA-N -1 3 258.248 3.290 20 0 CGADHM [O-]c1cc(-c2ccc(-c3nnco3)cc2)ccc1F ZINC001243050526 823227960 /nfs/dbraw/zinc/22/79/60/823227960.db2.gz YOGOOZYZDXBZLY-UHFFFAOYSA-N -1 3 256.236 3.248 20 0 CGADHM COC(=O)CCc1cccc(-c2ccc(F)c([O-])c2)c1 ZINC001243062360 823232710 /nfs/dbraw/zinc/23/27/10/823232710.db2.gz NNUCUXYEDDSTIG-UHFFFAOYSA-N -1 3 274.291 3.304 20 0 CGADHM C[C@@H]1CC[C@H](C)[C@H](Oc2ccc3c([O-])coc3c2)C1 ZINC001225341966 817018593 /nfs/dbraw/zinc/01/85/93/817018593.db2.gz GXAPZKGBZVKUCC-JRPNMDOOSA-N -1 3 260.333 3.465 20 0 CGADHM C[C@H]1CCCC[C@H]1Oc1nc(=O)[n-]cc1C(F)(F)F ZINC001225580018 817099855 /nfs/dbraw/zinc/09/98/55/817099855.db2.gz SJGMSDNVQQUIMB-IONNQARKSA-N -1 3 276.258 3.159 20 0 CGADHM Cc1ccccc1OC[C@H](C)Oc1[n-]c(=S)ncc1C ZINC001225741395 817163831 /nfs/dbraw/zinc/16/38/31/817163831.db2.gz VJXJWYLZEOFAEK-LBPRGKRZSA-N -1 3 290.388 3.228 20 0 CGADHM CC(=O)c1ccc([O-])c(OC[C@@H]2CCc3ccccc3O2)c1 ZINC001225997764 817243427 /nfs/dbraw/zinc/24/34/27/817243427.db2.gz GPKAQDYKRQYGSN-HNNXBMFYSA-N -1 3 298.338 3.367 20 0 CGADHM Cc1c(=O)[n-]cnc1O[C@H](C)c1ccccc1Cl ZINC001226071599 817264798 /nfs/dbraw/zinc/26/47/98/817264798.db2.gz SNJBYWREVOVLBJ-SECBINFHSA-N -1 3 264.712 3.284 20 0 CGADHM Cc1c(=O)[n-]cnc1O[C@H](c1ccccc1)C1CC1 ZINC001226070827 817265107 /nfs/dbraw/zinc/26/51/07/817265107.db2.gz GEQHLYVTOYRPEX-CYBMUJFWSA-N -1 3 256.305 3.021 20 0 CGADHM CC[C@H](Oc1nc[n-]c(=O)c1C)c1ccccc1F ZINC001226074671 817265843 /nfs/dbraw/zinc/26/58/43/817265843.db2.gz DCFPUMUUNMHECW-LBPRGKRZSA-N -1 3 262.284 3.160 20 0 CGADHM COc1cc(-c2ccc(=S)[n-]n2)cc(C(F)(F)F)c1 ZINC001243115761 823251407 /nfs/dbraw/zinc/25/14/07/823251407.db2.gz LAJDETVLOCHVSL-UHFFFAOYSA-N -1 3 286.278 3.460 20 0 CGADHM C[C@@H](Oc1[n-]c(=S)ncc1C1CC1)c1ccncc1 ZINC001226117619 817278616 /nfs/dbraw/zinc/27/86/16/817278616.db2.gz RXXGZYNLJWHSNT-SECBINFHSA-N -1 3 273.361 3.178 20 0 CGADHM CC(=O)c1ccc([O-])c(OC2CCC(C)CC2)c1O ZINC001226482183 817371372 /nfs/dbraw/zinc/37/13/72/817371372.db2.gz KKAVTMRYEUZLJU-UHFFFAOYSA-N -1 3 264.321 3.258 20 0 CGADHM CC(=O)c1ccc([O-])c(O[C@H]2CCC[C@@H](C)C2)c1O ZINC001226481270 817371471 /nfs/dbraw/zinc/37/14/71/817371471.db2.gz DWNSLHFNPILSQG-KOLCDFICSA-N -1 3 264.321 3.258 20 0 CGADHM Cc1cc(=O)oc2cc([O-])c(O[C@H]3CCCC[C@H]3F)cc12 ZINC001226531335 817389154 /nfs/dbraw/zinc/38/91/54/817389154.db2.gz ADLRMZQUQXFHDY-YPMHNXCESA-N -1 3 292.306 3.467 20 0 CGADHM Cc1cc(=O)oc2cc([O-])c(O[C@@H]3CC[C@H](C)C3)cc12 ZINC001226532029 817390237 /nfs/dbraw/zinc/39/02/37/817390237.db2.gz MBJLBUDBDJJBRA-GXSJLCMTSA-N -1 3 274.316 3.374 20 0 CGADHM C[C@H]1CCC[C@H](Oc2[n-]c(=O)nc3nc(Cl)ccc32)C1 ZINC001226554981 817396410 /nfs/dbraw/zinc/39/64/10/817396410.db2.gz AHKHDDZIHAZJRB-IUCAKERBSA-N -1 3 293.754 3.341 20 0 CGADHM C[C@H](Oc1c([O-])ccc2ccc(=O)oc21)C1CCC1 ZINC001226598068 817409640 /nfs/dbraw/zinc/40/96/40/817409640.db2.gz ZXAYVLSQRRSKOB-VIFPVBQESA-N -1 3 260.289 3.066 20 0 CGADHM COC(=O)[C@H]1CCC[C@@H](Oc2cccc([O-])c2Cl)C1 ZINC001226708186 817440958 /nfs/dbraw/zinc/44/09/58/817440958.db2.gz CMIKWGPGSINPTK-VHSXEESVSA-N -1 3 284.739 3.156 20 0 CGADHM CCOC(=O)N1CCC(Oc2cccc([O-])c2Cl)CC1 ZINC001226710344 817442403 /nfs/dbraw/zinc/44/24/03/817442403.db2.gz YUTAVRHAVXWUDH-UHFFFAOYSA-N -1 3 299.754 3.045 20 0 CGADHM COC(=O)[C@@H](Oc1cccc([O-])c1Cl)c1ccccc1 ZINC001226712571 817443346 /nfs/dbraw/zinc/44/33/46/817443346.db2.gz UBWHMNATJIMOPZ-AWEZNQCLSA-N -1 3 292.718 3.339 20 0 CGADHM COc1cccc([C@@H](C)Oc2cc(C)nc(=S)[n-]2)c1 ZINC001226799130 817468301 /nfs/dbraw/zinc/46/83/01/817468301.db2.gz QIFKRTKKZLDNBJ-SNVBAGLBSA-N -1 3 276.361 3.222 20 0 CGADHM COc1ccc([C@H](C)Oc2cc(C)nc(=S)[n-]2)cc1 ZINC001226798851 817468537 /nfs/dbraw/zinc/46/85/37/817468537.db2.gz MQGSTILSKBOOJY-JTQLQIEISA-N -1 3 276.361 3.222 20 0 CGADHM COc1cnc(=O)[n-]c1O[C@@H](C)c1cccc2ccccc21 ZINC001226820699 817474847 /nfs/dbraw/zinc/47/48/47/817474847.db2.gz CXXYOPSOFAZNED-NSHDSACASA-N -1 3 296.326 3.484 20 0 CGADHM COc1cnc(=O)[n-]c1O[C@H](C)c1cc(Cl)ccc1C ZINC001226827885 817476521 /nfs/dbraw/zinc/47/65/21/817476521.db2.gz KPPWOZVCIODSCY-SECBINFHSA-N -1 3 294.738 3.293 20 0 CGADHM S=c1nccc(O[C@H](c2ccccc2)C2CC2)[n-]1 ZINC001226937642 817510420 /nfs/dbraw/zinc/51/04/20/817510420.db2.gz RKEQFTZFUBNNMQ-CYBMUJFWSA-N -1 3 258.346 3.295 20 0 CGADHM C[C@@H](Oc1cc(=O)[n-]cn1)c1ccc(C(F)(F)F)cc1 ZINC001226946631 817512878 /nfs/dbraw/zinc/51/28/78/817512878.db2.gz KMVOBVCBSURAIY-MRVPVSSYSA-N -1 3 284.237 3.341 20 0 CGADHM CC(C)(C)[C@H]1CC[C@@H](Oc2ccc(=O)[n-]n2)CC1 ZINC001227093245 817555019 /nfs/dbraw/zinc/55/50/19/817555019.db2.gz JIKNCLYTRJXFCY-PHIMTYICSA-N -1 3 250.342 3.166 20 0 CGADHM O=c1cc(O[C@@H]2CCCC[C@@H]2F)[n-]c(C(F)(F)F)c1 ZINC001227585353 817676168 /nfs/dbraw/zinc/67/61/68/817676168.db2.gz YUYHWDBSEZWYCI-DTWKUNHWSA-N -1 3 279.233 3.466 20 0 CGADHM CCO[C@H](C)COc1c([O-])cc(Br)cc1F ZINC001227590984 817677260 /nfs/dbraw/zinc/67/72/60/817677260.db2.gz MYQKTELHGFGFMR-SSDOTTSWSA-N -1 3 293.132 3.098 20 0 CGADHM S=c1nc2nc[n-]c2c(O[C@H](c2ccccc2)C2CC2)[nH]1 ZINC001227612804 817681542 /nfs/dbraw/zinc/68/15/42/817681542.db2.gz IWDMOEPOSGFTGF-GFCCVEGCSA-N -1 3 298.371 3.172 20 0 CGADHM c1cc(-c2nc(O[C@@H]3CCC=CCCC3)n[n-]2)ccn1 ZINC001228700526 817979139 /nfs/dbraw/zinc/97/91/39/817979139.db2.gz SGQKTWWUCZMZIJ-CYBMUJFWSA-N -1 3 270.336 3.134 20 0 CGADHM CCC[C@H](C)[C@@H](CC)Oc1n[n-]c(-c2ccncc2)n1 ZINC001228699903 817980292 /nfs/dbraw/zinc/98/02/92/817980292.db2.gz JYAQIXFPJPXYAW-WCQYABFASA-N -1 3 274.368 3.460 20 0 CGADHM CCCC(=O)[C@H](CCC)Oc1cc2c(cc1[O-])CCC2=O ZINC001228854242 818022975 /nfs/dbraw/zinc/02/29/75/818022975.db2.gz PIPPTPYWPAREQY-INIZCTEOSA-N -1 3 290.359 3.438 20 0 CGADHM CC1(C)CC(=O)CC[C@@H]1Oc1cc2c(cc1[O-])CCC2=O ZINC001228854852 818023609 /nfs/dbraw/zinc/02/36/09/818023609.db2.gz YFLCQQZNHBCPTK-INIZCTEOSA-N -1 3 288.343 3.048 20 0 CGADHM CC[C@@H](C)C[C@H](CC)Oc1cccc(-c2nnn[n-]2)c1 ZINC001231119045 818035660 /nfs/dbraw/zinc/03/56/60/818035660.db2.gz YDMOOLXYZRZRPX-YPMHNXCESA-N -1 3 274.368 3.460 20 0 CGADHM CC[C@@H](C)C[C@H](CC)Oc1cccc(-c2nn[n-]n2)c1 ZINC001231119045 818035665 /nfs/dbraw/zinc/03/56/65/818035665.db2.gz YDMOOLXYZRZRPX-YPMHNXCESA-N -1 3 274.368 3.460 20 0 CGADHM CCCC/C=C/[C@@H](C)Oc1cccc(-c2nnn[n-]2)c1 ZINC001231118308 818036058 /nfs/dbraw/zinc/03/60/58/818036058.db2.gz LFEBXIKMPUZUCK-WAFBPQNNSA-N -1 3 272.352 3.380 20 0 CGADHM CCCC/C=C/[C@@H](C)Oc1cccc(-c2nn[n-]n2)c1 ZINC001231118308 818036064 /nfs/dbraw/zinc/03/60/64/818036064.db2.gz LFEBXIKMPUZUCK-WAFBPQNNSA-N -1 3 272.352 3.380 20 0 CGADHM C[C@@H]1C[C@@H](F)CN1Cc1ccc([O-])c(C(F)(F)F)c1 ZINC001231521284 818118478 /nfs/dbraw/zinc/11/84/78/818118478.db2.gz CTTZSPGLPKIKBL-PSASIEDQSA-N -1 3 277.261 3.343 20 0 CGADHM CCCOC1CN(Cc2ccc([O-])c(C(F)(F)F)c2)C1 ZINC001231523970 818121031 /nfs/dbraw/zinc/12/10/31/818121031.db2.gz DGQVIXIUPBIHDP-UHFFFAOYSA-N -1 3 289.297 3.022 20 0 CGADHM [O-]c1cccc(CN2CCC3(CCCO3)CC2)c1Cl ZINC001232788442 818440681 /nfs/dbraw/zinc/44/06/81/818440681.db2.gz WDBRYFQNDBWEBG-UHFFFAOYSA-N -1 3 281.783 3.191 20 0 CGADHM [O-]c1c(F)ccc(CN2CCC3(CCOCC3)CC2)c1F ZINC001232937452 818476746 /nfs/dbraw/zinc/47/67/46/818476746.db2.gz OGTQOVAWQCUELL-UHFFFAOYSA-N -1 3 297.345 3.063 20 0 CGADHM Cc1cccc2c1CCN(Cc1cccc([O-])c1F)C2 ZINC001233049664 818509570 /nfs/dbraw/zinc/50/95/70/818509570.db2.gz GSBATAFDBQNGEU-UHFFFAOYSA-N -1 3 271.335 3.398 20 0 CGADHM C[C@@H]1CCC[C@@H](Oc2ccc3occ([O-])c3c2)[C@H]1C ZINC001233681020 818678623 /nfs/dbraw/zinc/67/86/23/818678623.db2.gz PYGBWWGPCXINLN-JRPNMDOOSA-N -1 3 260.333 3.465 20 0 CGADHM C[C@@H]1C[C@H](Oc2cccc([O-])c2C(N)=O)CC(C)(C)C1 ZINC001234148057 818792174 /nfs/dbraw/zinc/79/21/74/818792174.db2.gz CBYDFLDPDJHLOA-MNOVXSKESA-N -1 3 277.364 3.085 20 0 CGADHM CC[C@@H](Oc1cccc([O-])c1C(N)=O)C1CCCCC1 ZINC001234154105 818793888 /nfs/dbraw/zinc/79/38/88/818793888.db2.gz SDKNLBBBLJUUJM-CYBMUJFWSA-N -1 3 277.364 3.229 20 0 CGADHM CO[C@@H](C)CO[C@@H](C)COc1c(Cl)ccc([O-])c1F ZINC001234262421 818820192 /nfs/dbraw/zinc/82/01/92/818820192.db2.gz ATBRJKRXPWUOOC-IUCAKERBSA-N -1 3 292.734 3.004 20 0 CGADHM CCCCOC(=O)[C@H](C)Oc1c([O-])cc(Cl)cc1F ZINC001234446383 818858133 /nfs/dbraw/zinc/85/81/33/818858133.db2.gz DJRVKYRMVOISGF-QMMMGPOBSA-N -1 3 290.718 3.295 20 0 CGADHM C[C@H](COc1ccccc1)Oc1nc2ccsc2[n-]1 ZINC001234846885 818931602 /nfs/dbraw/zinc/93/16/02/818931602.db2.gz DMHUABSMNCQMJB-SNVBAGLBSA-N -1 3 274.345 3.471 20 0 CGADHM C[C@H](COc1ccccc1)Oc1nc2sccc2[n-]1 ZINC001234846885 818931609 /nfs/dbraw/zinc/93/16/09/818931609.db2.gz DMHUABSMNCQMJB-SNVBAGLBSA-N -1 3 274.345 3.471 20 0 CGADHM [O-]c1cc(Cl)cc(-c2nccc3nccnc32)c1 ZINC001235901144 819210869 /nfs/dbraw/zinc/21/08/69/819210869.db2.gz RXLNCIRLOULIRQ-UHFFFAOYSA-N -1 3 257.680 3.051 20 0 CGADHM CC(C)Oc1c(F)ccc(-c2ccc(=S)[n-]n2)c1F ZINC001236338714 819428222 /nfs/dbraw/zinc/42/82/22/819428222.db2.gz DIDHZQYVGYJPHO-UHFFFAOYSA-N -1 3 282.315 3.498 20 0 CGADHM COc1ccc(-c2cccn(CC(C)C)c2=O)c2cn[n-]c21 ZINC001236476308 819494198 /nfs/dbraw/zinc/49/41/98/819494198.db2.gz NVJAVUBNTKDLOO-UHFFFAOYSA-N -1 3 297.358 3.056 20 0 CGADHM CC(C)Nc1ccc(-c2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC001236489039 819500857 /nfs/dbraw/zinc/50/08/57/819500857.db2.gz LKPRLAHNEXGKAB-UHFFFAOYSA-N -1 3 297.337 3.493 20 0 CGADHM CC(C)Nc1ccc(-c2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC001236489039 819500861 /nfs/dbraw/zinc/50/08/61/819500861.db2.gz LKPRLAHNEXGKAB-UHFFFAOYSA-N -1 3 297.337 3.493 20 0 CGADHM CC(C)(C)OC(=O)[C@@H]1CCCCN1Cc1occc1[S-] ZINC001237192754 819694289 /nfs/dbraw/zinc/69/42/89/819694289.db2.gz USRUTQDNJNHZJW-NSHDSACASA-N -1 3 297.420 3.265 20 0 CGADHM CC(C)(C)Oc1ccc(-c2cccc([O-])c2F)nn1 ZINC001243542183 823436647 /nfs/dbraw/zinc/43/66/47/823436647.db2.gz IJHQSHFVVVGEAY-UHFFFAOYSA-N -1 3 262.284 3.166 20 0 CGADHM [O-]c1cccc(-c2ncccc2OC(F)F)c1F ZINC001243542104 823436726 /nfs/dbraw/zinc/43/67/26/823436726.db2.gz GZSKTOBDGMBLRK-UHFFFAOYSA-N -1 3 255.195 3.195 20 0 CGADHM COC(=O)c1c[nH]c2cc(-c3cccc([O-])c3F)ccc21 ZINC001243545889 823437781 /nfs/dbraw/zinc/43/77/81/823437781.db2.gz QOZBRHHUVJORGH-UHFFFAOYSA-N -1 3 285.274 3.466 20 0 CGADHM [O-]c1cccc(-c2ncnc3c(F)c(F)ccc32)c1F ZINC001243546101 823438964 /nfs/dbraw/zinc/43/89/64/823438964.db2.gz IRBVDWDMFADOEP-UHFFFAOYSA-N -1 3 276.217 3.420 20 0 CGADHM Cn1ccc2cc(-c3cccc([O-])c3F)ccc2c1=O ZINC001243547865 823439585 /nfs/dbraw/zinc/43/95/85/823439585.db2.gz ZDMGPCSBQBTHQB-UHFFFAOYSA-N -1 3 269.275 3.050 20 0 CGADHM [O-]c1cccc(-c2ccc3c(c2)[C@@H](O)CCO3)c1F ZINC001243547111 823439672 /nfs/dbraw/zinc/43/96/72/823439672.db2.gz MFNPDBUYGYHOOL-LBPRGKRZSA-N -1 3 260.264 3.014 20 0 CGADHM Fc1cc(-c2nnn[n-]2)cc(-c2cccc(Cl)c2F)c1 ZINC001238960033 820170241 /nfs/dbraw/zinc/17/02/41/820170241.db2.gz MAXWNSAPFVKWJJ-UHFFFAOYSA-N -1 3 292.676 3.465 20 0 CGADHM Fc1cc(-c2nn[n-]n2)cc(-c2cccc(Cl)c2F)c1 ZINC001238960033 820170245 /nfs/dbraw/zinc/17/02/45/820170245.db2.gz MAXWNSAPFVKWJJ-UHFFFAOYSA-N -1 3 292.676 3.465 20 0 CGADHM CSc1ccc(-c2ccc(C)c(-c3nnn[n-]3)c2)c(C)n1 ZINC001243593265 823460301 /nfs/dbraw/zinc/46/03/01/823460301.db2.gz GATMUNCBLIJNAT-UHFFFAOYSA-N -1 3 297.387 3.267 20 0 CGADHM CSc1ccc(-c2ccc(C)c(-c3nn[n-]n3)c2)c(C)n1 ZINC001243593265 823460305 /nfs/dbraw/zinc/46/03/05/823460305.db2.gz GATMUNCBLIJNAT-UHFFFAOYSA-N -1 3 297.387 3.267 20 0 CGADHM CSc1ccc(-c2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC001239498872 820348200 /nfs/dbraw/zinc/34/82/00/820348200.db2.gz NUOUTVWLKQJNCF-UHFFFAOYSA-N -1 3 286.335 3.395 20 0 CGADHM CSc1ccc(-c2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC001239498872 820348209 /nfs/dbraw/zinc/34/82/09/820348209.db2.gz NUOUTVWLKQJNCF-UHFFFAOYSA-N -1 3 286.335 3.395 20 0 CGADHM CCc1ccc(-c2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC001239588967 820438342 /nfs/dbraw/zinc/43/83/42/820438342.db2.gz LBYGWLPRTXPLLJ-UHFFFAOYSA-N -1 3 268.295 3.235 20 0 CGADHM CCc1ccc(-c2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC001239588967 820438347 /nfs/dbraw/zinc/43/83/47/820438347.db2.gz LBYGWLPRTXPLLJ-UHFFFAOYSA-N -1 3 268.295 3.235 20 0 CGADHM Cc1ccc(-c2ccc(F)cc2F)cc1-c1nnn[n-]1 ZINC001239680219 820515192 /nfs/dbraw/zinc/51/51/92/820515192.db2.gz OQARJXRCBQMTPX-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM Cc1ccc(-c2ccc(F)cc2F)cc1-c1nn[n-]n1 ZINC001239680219 820515197 /nfs/dbraw/zinc/51/51/97/820515197.db2.gz OQARJXRCBQMTPX-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM Cc1cccc(-c2cc(F)cc(-c3nnn[n-]3)c2)c1C ZINC001239717187 820543199 /nfs/dbraw/zinc/54/31/99/820543199.db2.gz FWXOHZJVCQGQKU-UHFFFAOYSA-N -1 3 268.295 3.290 20 0 CGADHM Cc1cccc(-c2cc(F)cc(-c3nn[n-]n3)c2)c1C ZINC001239717187 820543205 /nfs/dbraw/zinc/54/32/05/820543205.db2.gz FWXOHZJVCQGQKU-UHFFFAOYSA-N -1 3 268.295 3.290 20 0 CGADHM FC(F)c1cccc(-c2cccc(-c3nnn[n-]3)c2)c1 ZINC001240689841 821247331 /nfs/dbraw/zinc/24/73/31/821247331.db2.gz DGSHUOZZKKXHMN-UHFFFAOYSA-N -1 3 272.258 3.471 20 0 CGADHM FC(F)c1cccc(-c2cccc(-c3nn[n-]n3)c2)c1 ZINC001240689841 821247337 /nfs/dbraw/zinc/24/73/37/821247337.db2.gz DGSHUOZZKKXHMN-UHFFFAOYSA-N -1 3 272.258 3.471 20 0 CGADHM CC(C)(C)NC(=O)c1ccc(-c2ccc([O-])c(F)c2)nc1 ZINC001240782179 821321249 /nfs/dbraw/zinc/32/12/49/821321249.db2.gz STRDVTQEHSITJF-UHFFFAOYSA-N -1 3 288.322 3.122 20 0 CGADHM COc1ncc(-c2ccc([O-])c(F)c2)c2cc[nH]c21 ZINC001240785917 821325455 /nfs/dbraw/zinc/32/54/55/821325455.db2.gz UHDVQGYJKSTOTM-UHFFFAOYSA-N -1 3 258.252 3.083 20 0 CGADHM COc1ccc(-c2ccc([O-])c(F)c2)c(F)c1F ZINC001240786987 821326542 /nfs/dbraw/zinc/32/65/42/821326542.db2.gz FPPYOSIEKMQBKY-UHFFFAOYSA-N -1 3 254.207 3.485 20 0 CGADHM O=c1ccc(-c2ccc([O-])c(F)c2)cn1-c1ccccc1F ZINC001240790586 821334481 /nfs/dbraw/zinc/33/44/81/821334481.db2.gz PJZRIYGMSKRYQG-UHFFFAOYSA-N -1 3 299.276 3.488 20 0 CGADHM Fc1cc(-c2nnn[n-]2)cc(-c2cccc3ncccc32)c1 ZINC001240940547 821430523 /nfs/dbraw/zinc/43/05/23/821430523.db2.gz IPYZNPKTPKRSMZ-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Fc1cc(-c2nn[n-]n2)cc(-c2cccc3ncccc32)c1 ZINC001240940547 821430528 /nfs/dbraw/zinc/43/05/28/821430528.db2.gz IPYZNPKTPKRSMZ-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM [O-]c1ccccc1-c1ccc(OCc2ccccc2)nn1 ZINC001241003101 821482326 /nfs/dbraw/zinc/48/23/26/821482326.db2.gz GLGIKDZFLUNVKE-UHFFFAOYSA-N -1 3 278.311 3.428 20 0 CGADHM CC(C)(C)OC(=O)Nc1nccc(-c2ccccc2[O-])n1 ZINC001241003652 821483479 /nfs/dbraw/zinc/48/34/79/821483479.db2.gz RDYRWAFWKSIAMN-UHFFFAOYSA-N -1 3 287.319 3.196 20 0 CGADHM CC(C)n1ccc2c1ncnc2-c1ccccc1[O-] ZINC001241007426 821484001 /nfs/dbraw/zinc/48/40/01/821484001.db2.gz AFHJJIWNBNEIEH-UHFFFAOYSA-N -1 3 253.305 3.385 20 0 CGADHM CCOC(=O)c1ccc2c(c1)ncnc2-c1ccccc1[O-] ZINC001241009121 821485358 /nfs/dbraw/zinc/48/53/58/821485358.db2.gz ZKKGLTZEVZPXLP-UHFFFAOYSA-N -1 3 294.310 3.179 20 0 CGADHM C[C@@H]1CCCN(C(=O)c2ccc(-c3ccccc3[O-])nc2)C1 ZINC001241009002 821485458 /nfs/dbraw/zinc/48/54/58/821485458.db2.gz YDNZDNPLBIQSOL-CYBMUJFWSA-N -1 3 296.370 3.326 20 0 CGADHM CCCN(CCC)c1cc(-c2ccccc2[O-])ncn1 ZINC001241009102 821485648 /nfs/dbraw/zinc/48/56/48/821485648.db2.gz ZGGZLIMPJDGJDH-UHFFFAOYSA-N -1 3 271.364 3.476 20 0 CGADHM CC1(C)CC(=O)Nc2nc(-c3ccccc3[O-])ccc21 ZINC001241009743 821486613 /nfs/dbraw/zinc/48/66/13/821486613.db2.gz VKVNWWDBBMNZQN-UHFFFAOYSA-N -1 3 268.316 3.074 20 0 CGADHM CCOc1cc(F)cc(-c2cccc(-c3nnn[n-]3)c2)c1 ZINC001241028132 821502525 /nfs/dbraw/zinc/50/25/25/821502525.db2.gz KSUDXZNNBNXIBB-UHFFFAOYSA-N -1 3 284.294 3.072 20 0 CGADHM CCOc1cc(F)cc(-c2cccc(-c3nn[n-]n3)c2)c1 ZINC001241028132 821502528 /nfs/dbraw/zinc/50/25/28/821502528.db2.gz KSUDXZNNBNXIBB-UHFFFAOYSA-N -1 3 284.294 3.072 20 0 CGADHM Cc1ccc(-c2nnc(C)cc2C(F)(F)F)c([O-])c1 ZINC001241035762 821511941 /nfs/dbraw/zinc/51/19/41/821511941.db2.gz GROZARIHYKUVIM-UHFFFAOYSA-N -1 3 268.238 3.485 20 0 CGADHM CCOc1cccc(F)c1-c1cccc(-c2nnn[n-]2)c1 ZINC001241252771 821675092 /nfs/dbraw/zinc/67/50/92/821675092.db2.gz CJUGHZROTDQGKD-UHFFFAOYSA-N -1 3 284.294 3.072 20 0 CGADHM CCOc1cccc(F)c1-c1cccc(-c2nn[n-]n2)c1 ZINC001241252771 821675096 /nfs/dbraw/zinc/67/50/96/821675096.db2.gz CJUGHZROTDQGKD-UHFFFAOYSA-N -1 3 284.294 3.072 20 0 CGADHM [O-]c1cc(F)cc(-c2cc(C(F)(F)F)cnn2)c1 ZINC001241255774 821675596 /nfs/dbraw/zinc/67/55/96/821675596.db2.gz CYXBLXDZRXIQER-UHFFFAOYSA-N -1 3 258.174 3.007 20 0 CGADHM CCOC(=O)c1c(C)cc(-c2cc([O-])cc(F)c2)nc1C ZINC001241255757 821676130 /nfs/dbraw/zinc/67/61/30/821676130.db2.gz CCKJRCVUOZGBHM-UHFFFAOYSA-N -1 3 289.306 3.387 20 0 CGADHM CCOC(=O)c1ccc(-c2cc([O-])cc(F)c2)nc1C ZINC001241258319 821677805 /nfs/dbraw/zinc/67/78/05/821677805.db2.gz YSNFXIRXSJVFGY-UHFFFAOYSA-N -1 3 275.279 3.078 20 0 CGADHM [O-]c1cc(F)cc(-c2ccc(-c3cccnc3)nn2)c1 ZINC001241262012 821681565 /nfs/dbraw/zinc/68/15/65/821681565.db2.gz HWSVJSLWEZCJLD-UHFFFAOYSA-N -1 3 267.263 3.050 20 0 CGADHM COc1nnc(-c2cc([O-])cc(F)c2)c2ccccc21 ZINC001241262753 821682198 /nfs/dbraw/zinc/68/21/98/821682198.db2.gz SJFKLXCPUCOXIA-UHFFFAOYSA-N -1 3 270.263 3.150 20 0 CGADHM C[C@H]1C(=O)Nc2cc(-c3cc([O-])cc(F)c3)ccc21 ZINC001241267390 821686512 /nfs/dbraw/zinc/68/65/12/821686512.db2.gz UTWXZHJASLLHCS-MRVPVSSYSA-N -1 3 257.264 3.254 20 0 CGADHM COC(=O)c1cc(-c2cc([O-])cc(F)c2)c(C)cc1OC ZINC001241270990 821689831 /nfs/dbraw/zinc/68/98/31/821689831.db2.gz GTMOONIYCMQSSF-UHFFFAOYSA-N -1 3 290.290 3.302 20 0 CGADHM COC(=O)[C@@H](C)c1ccc(-c2cc([O-])cc(F)c2)cc1 ZINC001241271063 821690246 /nfs/dbraw/zinc/69/02/46/821690246.db2.gz KFZNYWODWJBYDF-JTQLQIEISA-N -1 3 274.291 3.475 20 0 CGADHM COC(=O)c1nc2c(cccc2-c2cc([O-])cc(F)c2)o1 ZINC001241277240 821696694 /nfs/dbraw/zinc/69/66/94/821696694.db2.gz ICPDDIKUSUKWRK-UHFFFAOYSA-N -1 3 287.246 3.126 20 0 CGADHM CC(C)Cn1cc(-c2cc([O-])cc(F)c2)ccc1=O ZINC001241280683 821700243 /nfs/dbraw/zinc/70/02/43/821700243.db2.gz RRWCUTRKAJRZEF-UHFFFAOYSA-N -1 3 261.296 3.016 20 0 CGADHM O=c1ccc2ccc(-c3c(F)ccc([O-])c3F)cc2o1 ZINC001241294377 821712796 /nfs/dbraw/zinc/71/27/96/821712796.db2.gz SYUSYSPWURYCGU-UHFFFAOYSA-N -1 3 274.222 3.444 20 0 CGADHM COC(=O)c1nc2nc(-c3cccc(SC)c3)ccc2[n-]1 ZINC001241316524 821726923 /nfs/dbraw/zinc/72/69/23/821726923.db2.gz ZIJRZNBFRICZFO-UHFFFAOYSA-N -1 3 299.355 3.133 20 0 CGADHM COC(=O)c1nc2ccc(-c3cccc(SC)c3)nc2[n-]1 ZINC001241316524 821726926 /nfs/dbraw/zinc/72/69/26/821726926.db2.gz ZIJRZNBFRICZFO-UHFFFAOYSA-N -1 3 299.355 3.133 20 0 CGADHM COC(=O)c1nc2ccc(-c3cccc(SC)c3)[n-]c-2n1 ZINC001241316524 821726933 /nfs/dbraw/zinc/72/69/33/821726933.db2.gz ZIJRZNBFRICZFO-UHFFFAOYSA-N -1 3 299.355 3.133 20 0 CGADHM Fc1ccc(Cl)cc1-c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001241332201 821739799 /nfs/dbraw/zinc/73/97/99/821739799.db2.gz NVQKIEYDBZKTOP-UHFFFAOYSA-N -1 3 292.676 3.465 20 0 CGADHM Fc1ccc(Cl)cc1-c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001241332201 821739802 /nfs/dbraw/zinc/73/98/02/821739802.db2.gz NVQKIEYDBZKTOP-UHFFFAOYSA-N -1 3 292.676 3.465 20 0 CGADHM O=C([O-])c1cccc(-c2cc(N3CCCCC3)ccn2)c1 ZINC001241358087 821759098 /nfs/dbraw/zinc/75/90/98/821759098.db2.gz INNLADWCRVEYKU-UHFFFAOYSA-N -1 3 282.343 3.437 20 0 CGADHM COc1ncc(C)cc1-c1ccc2c(c1)[N-]C(=S)C2 ZINC001241367897 821769171 /nfs/dbraw/zinc/76/91/71/821769171.db2.gz ZJIDZGOWVXQGNA-UHFFFAOYSA-N -1 3 270.357 3.361 20 0 CGADHM Fc1cc2cc[nH]c2c(-c2ccc(-c3nnn[n-]3)cc2)c1 ZINC001241443226 821835771 /nfs/dbraw/zinc/83/57/71/821835771.db2.gz DAIDANVWVPRRFP-UHFFFAOYSA-N -1 3 279.278 3.154 20 0 CGADHM Fc1cc2cc[nH]c2c(-c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001241443226 821835779 /nfs/dbraw/zinc/83/57/79/821835779.db2.gz DAIDANVWVPRRFP-UHFFFAOYSA-N -1 3 279.278 3.154 20 0 CGADHM CC(C)(C)c1ccc(-c2ccc(-c3nnn[n-]3)cc2)nc1 ZINC001241443081 821836212 /nfs/dbraw/zinc/83/62/12/821836212.db2.gz MNQIPGLWRACOKW-UHFFFAOYSA-N -1 3 279.347 3.226 20 0 CGADHM CC(C)(C)c1ccc(-c2ccc(-c3nn[n-]n3)cc2)nc1 ZINC001241443081 821836219 /nfs/dbraw/zinc/83/62/19/821836219.db2.gz MNQIPGLWRACOKW-UHFFFAOYSA-N -1 3 279.347 3.226 20 0 CGADHM Fc1cccc2ccc(-c3ccc(-c4nnn[n-]4)cc3)nc12 ZINC001241442968 821836639 /nfs/dbraw/zinc/83/66/39/821836639.db2.gz WJKUTWAZRCICPG-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Fc1cccc2ccc(-c3ccc(-c4nn[n-]n4)cc3)nc12 ZINC001241442968 821836645 /nfs/dbraw/zinc/83/66/45/821836645.db2.gz WJKUTWAZRCICPG-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM CCOc1ccc(C)c(-c2ccc(-c3nnn[n-]3)cc2)c1 ZINC001241446780 821843000 /nfs/dbraw/zinc/84/30/00/821843000.db2.gz RIDAIIUPTLUVEV-UHFFFAOYSA-N -1 3 280.331 3.241 20 0 CGADHM CCOc1ccc(C)c(-c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001241446780 821843007 /nfs/dbraw/zinc/84/30/07/821843007.db2.gz RIDAIIUPTLUVEV-UHFFFAOYSA-N -1 3 280.331 3.241 20 0 CGADHM CCc1cccc(-c2cccc(-c3nnn[n-]3)c2)c1 ZINC001241546427 821937031 /nfs/dbraw/zinc/93/70/31/821937031.db2.gz AVVKNSQMXBCMDY-UHFFFAOYSA-N -1 3 250.305 3.096 20 0 CGADHM CCc1cccc(-c2cccc(-c3nn[n-]n3)c2)c1 ZINC001241546427 821937036 /nfs/dbraw/zinc/93/70/36/821937036.db2.gz AVVKNSQMXBCMDY-UHFFFAOYSA-N -1 3 250.305 3.096 20 0 CGADHM Cc1cscc1-c1cc(-c2nnn[n-]2)ccc1F ZINC001241730497 822108883 /nfs/dbraw/zinc/10/88/83/822108883.db2.gz MBFMISYMUOWWQG-UHFFFAOYSA-N -1 3 260.297 3.043 20 0 CGADHM Cc1cscc1-c1cc(-c2nn[n-]n2)ccc1F ZINC001241730497 822108885 /nfs/dbraw/zinc/10/88/85/822108885.db2.gz MBFMISYMUOWWQG-UHFFFAOYSA-N -1 3 260.297 3.043 20 0 CGADHM CC(C)(C)c1nc2nc[nH]c2c(-c2ccc(F)cc2[O-])n1 ZINC001242216716 822914472 /nfs/dbraw/zinc/91/44/72/822914472.db2.gz XZUYENFXFGCKFM-UHFFFAOYSA-N -1 3 286.310 3.114 20 0 CGADHM [O-]c1cc(F)ccc1-c1ccnc(OC(F)F)c1 ZINC001242218440 822915118 /nfs/dbraw/zinc/91/51/18/822915118.db2.gz FEYWCBHPWODAEE-UHFFFAOYSA-N -1 3 255.195 3.195 20 0 CGADHM [O-]c1cc(F)ccc1-c1ccnc(OCC2CC2)c1 ZINC001242219979 822916051 /nfs/dbraw/zinc/91/60/51/822916051.db2.gz YHGMKFBXTLBTJH-UHFFFAOYSA-N -1 3 259.280 3.382 20 0 CGADHM O=C1NCCC[C@H]1c1ccc(-c2ccc(F)cc2[O-])cc1 ZINC001242219791 822916156 /nfs/dbraw/zinc/91/61/56/822916156.db2.gz QVOUWIMUVCJWIZ-HNNXBMFYSA-N -1 3 285.318 3.192 20 0 CGADHM [O-]c1cc(F)ccc1-c1ccc(-c2nnco2)cc1 ZINC001242220607 822916846 /nfs/dbraw/zinc/91/68/46/822916846.db2.gz HEQSJRKISGXCKG-UHFFFAOYSA-N -1 3 256.236 3.248 20 0 CGADHM COC(=O)c1cc(-c2cccc(F)c2[O-])cc2cc[nH]c21 ZINC001242350222 822960473 /nfs/dbraw/zinc/96/04/73/822960473.db2.gz DICUYVGSHZMYBD-UHFFFAOYSA-N -1 3 285.274 3.466 20 0 CGADHM COC(OC)c1ccccc1-c1cccc(F)c1[O-] ZINC001242350386 822960615 /nfs/dbraw/zinc/96/06/15/822960615.db2.gz CZYYLAISYVJZPJ-UHFFFAOYSA-N -1 3 262.280 3.490 20 0 CGADHM [O-]c1c(F)cccc1-c1ccc(-c2nnco2)cc1 ZINC001242351256 822961162 /nfs/dbraw/zinc/96/11/62/822961162.db2.gz VFGZXIBGDWUXCQ-UHFFFAOYSA-N -1 3 256.236 3.248 20 0 CGADHM CC(=O)O[C@H]1Cc2ccc(-c3cccc(F)c3[O-])cc2C1 ZINC001242350983 822961176 /nfs/dbraw/zinc/96/11/76/822961176.db2.gz MKXVWHVHLWSWAL-AWEZNQCLSA-N -1 3 286.302 3.229 20 0 CGADHM O=C1c2cc(-c3cccc(F)c3[O-])ccc2CN1C1CC1 ZINC001242350464 822961382 /nfs/dbraw/zinc/96/13/82/822961382.db2.gz GPMYBYRUISWGOR-UHFFFAOYSA-N -1 3 283.302 3.317 20 0 CGADHM COC(=O)c1ccc(N(C)C)c(-c2cccc(F)c2[O-])c1 ZINC001242351913 822962007 /nfs/dbraw/zinc/96/20/07/822962007.db2.gz AYFQPNGJFQUECH-UHFFFAOYSA-N -1 3 289.306 3.051 20 0 CGADHM c1cc2cccc(-c3ccccc3-c3nnn[n-]3)c2[nH]1 ZINC001242360844 822966376 /nfs/dbraw/zinc/96/63/76/822966376.db2.gz JAPSWYAYCVVACB-UHFFFAOYSA-N -1 3 261.288 3.015 20 0 CGADHM c1cc2cccc(-c3ccccc3-c3nn[n-]n3)c2[nH]1 ZINC001242360844 822966377 /nfs/dbraw/zinc/96/63/77/822966377.db2.gz JAPSWYAYCVVACB-UHFFFAOYSA-N -1 3 261.288 3.015 20 0 CGADHM Cc1cc(Cl)cc(-c2ccc(-c3nnn[n-]3)cc2)c1 ZINC001242517823 823016845 /nfs/dbraw/zinc/01/68/45/823016845.db2.gz HTRWZJDAZNTKBC-UHFFFAOYSA-N -1 3 270.723 3.496 20 0 CGADHM Cc1cc(Cl)cc(-c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001242517823 823016849 /nfs/dbraw/zinc/01/68/49/823016849.db2.gz HTRWZJDAZNTKBC-UHFFFAOYSA-N -1 3 270.723 3.496 20 0 CGADHM O=C(CCc1nc2ccccc2s1)[N-]OCCC1CC1 ZINC001343996554 936522167 /nfs/dbraw/zinc/52/21/67/936522167.db2.gz DAOBNUURWWPDRT-UHFFFAOYSA-N -1 3 290.388 3.077 20 0 CGADHM O=C(/C=C\c1nccs1)Nc1cc(Cl)ccc1[O-] ZINC001346289275 936844553 /nfs/dbraw/zinc/84/45/53/936844553.db2.gz YPAHFDWDOSHLPV-ARJAWSKDSA-N -1 3 280.736 3.154 20 0 CGADHM C[C@@H](OC1CCCCC1)C(=O)Nc1cc(F)ccc1[O-] ZINC001323529051 928080535 /nfs/dbraw/zinc/08/05/35/928080535.db2.gz CBKUUDIQCSYRCC-SNVBAGLBSA-N -1 3 281.327 3.208 20 0 CGADHM CC(C)c1cc([N-]C(=O)c2ccc([N+](=O)[O-])cc2F)no1 ZINC000081086319 928267330 /nfs/dbraw/zinc/26/73/30/928267330.db2.gz TZXJKRIPXMBAKA-UHFFFAOYSA-N -1 3 293.254 3.098 20 0 CGADHM [O-]c1ccc(CN2CCC[C@]3(CCSC3)C2)c(F)c1F ZINC001308814897 928546056 /nfs/dbraw/zinc/54/60/56/928546056.db2.gz CJLWRUYMZRHTTP-HNNXBMFYSA-N -1 3 299.386 3.390 20 0 CGADHM O=c1nc(Cl)cc(Sc2cc(F)ccc2F)[n-]1 ZINC001412871398 928720221 /nfs/dbraw/zinc/72/02/21/928720221.db2.gz YJWUXZGJFIKTAA-UHFFFAOYSA-N -1 3 274.679 3.265 20 0 CGADHM O=C(Nc1c([O-])cccc1Cl)c1ccc2cc[nH]c2n1 ZINC001450257568 937384608 /nfs/dbraw/zinc/38/46/08/937384608.db2.gz AAIZDWCLHUXVLS-UHFFFAOYSA-N -1 3 287.706 3.174 20 0 CGADHM CNc1nc(C)ccc1C(=O)Nc1c([O-])cccc1Cl ZINC001450269068 937384628 /nfs/dbraw/zinc/38/46/28/937384628.db2.gz VWTPCJUYJQWRMM-UHFFFAOYSA-N -1 3 291.738 3.043 20 0 CGADHM CC(=O)c1cccc(NC(=O)c2cccc(F)c2C)c1[O-] ZINC001450595797 937386073 /nfs/dbraw/zinc/38/60/73/937386073.db2.gz IAPPKEYTVJNQMZ-UHFFFAOYSA-N -1 3 287.290 3.295 20 0 CGADHM O=C(N[C@@H]1CC12CC2)c1cc(Cc2ccccc2)ccc1[O-] ZINC001451982695 937393019 /nfs/dbraw/zinc/39/30/19/937393019.db2.gz PDINKUXQDYYNTI-QGZVFWFLSA-N -1 3 293.366 3.265 20 0 CGADHM COCC1(CNC(=O)c2c(C)cccc2[O-])CCCCC1 ZINC001450844358 937387874 /nfs/dbraw/zinc/38/78/74/937387874.db2.gz IZYJKOFADDWDPL-UHFFFAOYSA-N -1 3 291.391 3.027 20 0 CGADHM COc1cc(F)cc([N-]c2nnc(C(F)(F)F)s2)c1 ZINC001458263771 937456411 /nfs/dbraw/zinc/45/64/11/937456411.db2.gz FCZROXKWKNFARK-UHFFFAOYSA-N -1 3 293.245 3.448 20 0 CGADHM C[C@H](Oc1cccc([O-])c1Br)c1cncnc1 ZINC001229141689 932104838 /nfs/dbraw/zinc/10/48/38/932104838.db2.gz MBZAHELZPRTQIF-QMMMGPOBSA-N -1 3 295.136 3.085 20 0 CGADHM CCC(=O)[C@@H](CC)Oc1cccc([O-])c1Br ZINC001229140835 932105045 /nfs/dbraw/zinc/10/50/45/932105045.db2.gz GJYQVFUCOMPQSR-SNVBAGLBSA-N -1 3 287.153 3.291 20 0 CGADHM Cc1csc2[n-]c(=S)nc(O[C@@H]3CCCCC3=O)c12 ZINC001229351672 932137423 /nfs/dbraw/zinc/13/74/23/932137423.db2.gz CUYKSIMZIXSRSK-SECBINFHSA-N -1 3 294.401 3.179 20 0 CGADHM Cc1csc2[n-]c(=S)nc(O[C@@H]3C[C@H]4C[C@H]4C3)c12 ZINC001229353290 932139052 /nfs/dbraw/zinc/13/90/52/932139052.db2.gz MUAPNZDFTBXESW-AYMMMOKOSA-N -1 3 278.402 3.466 20 0 CGADHM Cc1ccc(C(=O)c2ccc([O-])c(OC3CC3)c2)cc1 ZINC001229536266 932168727 /nfs/dbraw/zinc/16/87/27/932168727.db2.gz ASRAQHIYSUFPQR-UHFFFAOYSA-N -1 3 268.312 3.473 20 0 CGADHM Cc1ccc(C(=O)c2ccc([O-])c(O[C@@H]3CCOC3)c2)cc1 ZINC001229543183 932170063 /nfs/dbraw/zinc/17/00/63/932170063.db2.gz WPWSZKYETOUGOD-OAHLLOKOSA-N -1 3 298.338 3.099 20 0 CGADHM S=c1nc(O[C@@H]2C=CCCC2)c2ccsc2[n-]1 ZINC001229569016 932171950 /nfs/dbraw/zinc/17/19/50/932171950.db2.gz IPTABSHKDRCUBU-MRVPVSSYSA-N -1 3 264.375 3.468 20 0 CGADHM CC[C@@H](Oc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC001229958309 932509833 /nfs/dbraw/zinc/50/98/33/932509833.db2.gz QELYLBRBQNWZKZ-CQSZACIVSA-N -1 3 280.331 3.397 20 0 CGADHM CC[C@@H](Oc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC001229958309 932509837 /nfs/dbraw/zinc/50/98/37/932509837.db2.gz QELYLBRBQNWZKZ-CQSZACIVSA-N -1 3 280.331 3.397 20 0 CGADHM CC(C)=CCC[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC001229955647 932510069 /nfs/dbraw/zinc/51/00/69/932510069.db2.gz XNNLTSKHKNAHCX-LBPRGKRZSA-N -1 3 272.352 3.380 20 0 CGADHM CC(C)=CCC[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC001229955647 932510072 /nfs/dbraw/zinc/51/00/72/932510072.db2.gz XNNLTSKHKNAHCX-LBPRGKRZSA-N -1 3 272.352 3.380 20 0 CGADHM CCC[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC001231073111 932671483 /nfs/dbraw/zinc/67/14/83/932671483.db2.gz ISQGROGPUUJZMH-CYBMUJFWSA-N -1 3 260.341 3.070 20 0 CGADHM C[C@@H]1CCC[C@H](Oc2ccc(-c3nn[n-]n3)cc2)[C@H]1C ZINC001231076819 932672514 /nfs/dbraw/zinc/67/25/14/932672514.db2.gz MYQSWTDEDYRHAG-SUNKGSAMSA-N -1 3 272.352 3.070 20 0 CGADHM C[C@H](Oc1[n-]c(=O)nc2cccc(F)c21)c1cccnc1 ZINC001231075878 932672693 /nfs/dbraw/zinc/67/26/93/932672693.db2.gz IRXUIHPFWJNSDX-VIFPVBQESA-N -1 3 285.278 3.010 20 0 CGADHM c1cc(-c2nn[n-]n2)ccc1O[C@@H]1CCC=CCCC1 ZINC001231074646 932673129 /nfs/dbraw/zinc/67/31/29/932673129.db2.gz XNBCPRGPFPPQKE-CYBMUJFWSA-N -1 3 270.336 3.134 20 0 CGADHM CC(C)=CCC[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001231074543 932673151 /nfs/dbraw/zinc/67/31/51/932673151.db2.gz VERDTNKERRGPCZ-GFCCVEGCSA-N -1 3 272.352 3.380 20 0 CGADHM CCOC(=O)c1c(Cl)[n-]c(=O)cc1O[C@@H](C)C1CCC1 ZINC001231091561 932677293 /nfs/dbraw/zinc/67/72/93/932677293.db2.gz XELGFHJBNCKWSC-QMMMGPOBSA-N -1 3 299.754 3.185 20 0 CGADHM CCSc1ccc(C[N-]C(=O)C(F)(F)C(F)F)cc1 ZINC001462462269 937643122 /nfs/dbraw/zinc/64/31/22/937643122.db2.gz BXVTVYQSMUPGJP-UHFFFAOYSA-N -1 3 295.301 3.315 20 0 CGADHM O=C([N-]c1nocc1C1CC1)c1ccc(Cl)o1 ZINC001462552869 937649659 /nfs/dbraw/zinc/64/96/59/937649659.db2.gz ISVZLSCGDZGIJE-UHFFFAOYSA-N -1 3 252.657 3.051 20 0 CGADHM [O-]c1ccc(CNc2ccc3oc(CO)cc3c2)cc1F ZINC001308843775 933187724 /nfs/dbraw/zinc/18/77/24/933187724.db2.gz OMJISMJHPXWICQ-UHFFFAOYSA-N -1 3 287.290 3.382 20 0 CGADHM CCS[C@H]1CCCC[C@H]1NC(=O)c1ccc(C)cc1[O-] ZINC001465729124 937702986 /nfs/dbraw/zinc/70/29/86/937702986.db2.gz DLFZSBQAFUHVOP-HIFRSBDPSA-N -1 3 293.432 3.495 20 0 CGADHM CC(C)(C)O[N-]C(=O)CCCCC(=O)c1ccc(F)cc1 ZINC001320492971 934055157 /nfs/dbraw/zinc/05/51/57/934055157.db2.gz GHUNYXOYBFWXJJ-UHFFFAOYSA-N -1 3 295.354 3.415 20 0 CGADHM C[C@H](CCCC(=O)[O-])NCc1csc(C(C)(C)C)n1 ZINC001320734008 934094500 /nfs/dbraw/zinc/09/45/00/934094500.db2.gz XWDIGYHLGNWUGF-SNVBAGLBSA-N -1 3 284.425 3.174 20 0 CGADHM CCC(CC)c1nnc(NC(=O)[N-]OC(C)(C)C)s1 ZINC001321754218 934209501 /nfs/dbraw/zinc/20/95/01/934209501.db2.gz XLGRWEFCXUITTK-UHFFFAOYSA-N -1 3 286.401 3.293 20 0 CGADHM CCc1cnc(NC(=O)c2cc([O-])c3ccccc3c2)o1 ZINC001472152751 937773268 /nfs/dbraw/zinc/77/32/68/937773268.db2.gz UIHSDEVRMGAPBW-UHFFFAOYSA-N -1 3 282.299 3.348 20 0 CGADHM CC(C)c1nc(CN[C@@H](CC(=O)[O-])C(C)(C)C)cs1 ZINC001326324447 934971128 /nfs/dbraw/zinc/97/11/28/934971128.db2.gz YOSGDQRHUGMDHS-NSHDSACASA-N -1 3 284.425 3.246 20 0 CGADHM Cc1cnc2ccccc2c1N1CCC(C)(C(=O)[O-])CC1 ZINC001329427047 935214853 /nfs/dbraw/zinc/21/48/53/935214853.db2.gz JTYVSPHBZKZIKG-UHFFFAOYSA-N -1 3 284.359 3.234 20 0 CGADHM O=C([O-])[C@H]1c2ccoc2CCN1Cc1ccccc1C1CC1 ZINC001329589779 935231001 /nfs/dbraw/zinc/23/10/01/935231001.db2.gz PGKPSAFASZHIIC-QGZVFWFLSA-N -1 3 297.354 3.341 20 0 CGADHM C[C@H]1CN(Cc2cc(=O)[n-]c(C3CC3)n2)Cc2ccccc21 ZINC001331111716 935350941 /nfs/dbraw/zinc/35/09/41/935350941.db2.gz RNCBURBKXPMFSJ-LBPRGKRZSA-N -1 3 295.386 3.179 20 0 CGADHM C[C@H](CCCNCc1nc(C(C)(C)C)cs1)C(=O)[O-] ZINC001331846194 935414289 /nfs/dbraw/zinc/41/42/89/935414289.db2.gz NOSWHQKKOGUWNE-SNVBAGLBSA-N -1 3 284.425 3.031 20 0 CGADHM O=C([N-]OCCCC(F)(F)F)C12CCC(CC1)CC2 ZINC001336032886 936173049 /nfs/dbraw/zinc/17/30/49/936173049.db2.gz INXHZDNRIPMSNV-UHFFFAOYSA-N -1 3 279.302 3.347 20 0 CGADHM C[C@@H](c1ccc(F)cc1)N1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001473766290 937821473 /nfs/dbraw/zinc/82/14/73/937821473.db2.gz PWXSSDCXQFNXJI-JTQLQIEISA-N -1 3 299.349 3.276 20 0 CGADHM Cc1nocc1[N-]C(=O)c1sccc1Br ZINC001527077956 938060094 /nfs/dbraw/zinc/06/00/94/938060094.db2.gz LRLJCSOTNMBYRM-UHFFFAOYSA-N -1 3 287.138 3.059 20 0 CGADHM Cc1nocc1[N-]C(=O)c1cnc(Cc2ccccc2)s1 ZINC001537837346 938113918 /nfs/dbraw/zinc/11/39/18/938113918.db2.gz VTOXCEBCWRZKIP-UHFFFAOYSA-N -1 3 299.355 3.283 20 0 CGADHM CCc1cc([N-]C(=O)c2c(F)ccc(F)c2Cl)no1 ZINC001538237161 938116481 /nfs/dbraw/zinc/11/64/81/938116481.db2.gz RKMDEAVPCBDGJL-UHFFFAOYSA-N -1 3 286.665 3.421 20 0 CGADHM CSc1c(F)cccc1[N-]C(=O)c1nc(C)oc1C ZINC001538802228 938120728 /nfs/dbraw/zinc/12/07/28/938120728.db2.gz HIORUEVQXOMYIM-UHFFFAOYSA-N -1 3 280.324 3.405 20 0 CGADHM CC(=O)c1ccc(C(=O)Nc2cc(F)ccc2C)cc1[O-] ZINC001540384438 938130824 /nfs/dbraw/zinc/13/08/24/938130824.db2.gz HOBWBWWTTRXLFK-UHFFFAOYSA-N -1 3 287.290 3.295 20 0 CGADHM CC[C@H](c1ccc(F)cc1F)N1CC[C@@H]2[C@H](C1)[C@H]2C(=O)[O-] ZINC001550916666 938172408 /nfs/dbraw/zinc/17/24/08/938172408.db2.gz PKGPWNMEKHKIOH-BQPHKTIFSA-N -1 3 295.329 3.068 20 0 CGADHM O=C(Nc1ncccc1[O-])c1ccsc1C(F)(F)F ZINC001556163893 938202134 /nfs/dbraw/zinc/20/21/34/938202134.db2.gz NTIFLYSFWQXTNC-UHFFFAOYSA-N -1 3 288.250 3.120 20 0 CGADHM CCCc1ccc(CCCC(=O)[N-]OCCSC)cc1 ZINC001556464426 938203905 /nfs/dbraw/zinc/20/39/05/938203905.db2.gz RYXGXUIHHSCUMK-UHFFFAOYSA-N -1 3 295.448 3.373 20 0 CGADHM CC1(C)CCC(C)(NC(=O)c2ccccc2[O-])CC1 ZINC001557945025 938212604 /nfs/dbraw/zinc/21/26/04/938212604.db2.gz INVDRYKPRWURDQ-UHFFFAOYSA-N -1 3 261.365 3.481 20 0 CGADHM CC(C)c1oncc1[N-]C(=O)c1cccc(F)c1F ZINC001558341839 938214903 /nfs/dbraw/zinc/21/49/03/938214903.db2.gz GCLLGRYSQOSFMY-UHFFFAOYSA-N -1 3 266.247 3.329 20 0 CGADHM Cc1ccc2[n-]cc(C(=O)Nc3ccccc3C)c(=O)c2c1 ZINC001558893040 938218418 /nfs/dbraw/zinc/21/84/18/938218418.db2.gz VIVNFFJSFJBKAJ-UHFFFAOYSA-N -1 3 292.338 3.397 20 0 CGADHM O=C([O-])c1ccccc1CNCc1ccc2scnc2c1 ZINC001595255162 949590117 /nfs/dbraw/zinc/59/01/17/949590117.db2.gz IEMVRSOPTNXQAL-UHFFFAOYSA-N -1 3 298.367 3.284 20 0 CGADHM CC[C@H](C)[C@H](NCc1csc(C2CCCC2)n1)C(=O)[O-] ZINC001593614427 953491593 /nfs/dbraw/zinc/49/15/93/953491593.db2.gz UJFGGCISABKCKJ-GWCFXTLKSA-N -1 3 296.436 3.390 20 0 CGADHM COc1ccc([C@H](C)NCc2ccsc2C(=O)[O-])cc1 ZINC000234972350 960380493 /nfs/dbraw/zinc/38/04/93/960380493.db2.gz QLXGTDCZEQHVON-JTQLQIEISA-N -1 3 291.372 3.306 20 0 CGADHM C[C@H](NCc1ccc(C(=O)[O-])c(F)c1)c1cccs1 ZINC000235518044 960448460 /nfs/dbraw/zinc/44/84/60/960448460.db2.gz QTSZFFJISMTAOA-VIFPVBQESA-N -1 3 279.336 3.436 20 0 CGADHM Clc1cc(-c2nnn[n-]2)ccc1OCC1=CCCC1 ZINC001592525328 960509297 /nfs/dbraw/zinc/50/92/97/960509297.db2.gz PEWTWRDJMKANON-UHFFFAOYSA-N -1 3 276.727 3.009 20 0 CGADHM Clc1cc(-c2nn[n-]n2)ccc1OCC1=CCCC1 ZINC001592525328 960509300 /nfs/dbraw/zinc/50/93/00/960509300.db2.gz PEWTWRDJMKANON-UHFFFAOYSA-N -1 3 276.727 3.009 20 0 CGADHM O=C([O-])[C@@H](N[C@H]1C=CCC1)c1cccc(Cl)c1Cl ZINC001601668197 960544435 /nfs/dbraw/zinc/54/44/35/960544435.db2.gz MWFIVPCBRPZHSD-UFBFGSQYSA-N -1 3 286.158 3.427 20 0 CGADHM CSCCO[N-]C(=O)[C@](C)(Cc1ccccc1)C(C)C ZINC001568543861 961614280 /nfs/dbraw/zinc/61/42/80/961614280.db2.gz OMMLGRAVXAHHKV-MRXNPFEDSA-N -1 3 295.448 3.302 20 0 CGADHM CC[C@H]1CCC[C@@H]1CNC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC001569218956 961716356 /nfs/dbraw/zinc/71/63/56/961716356.db2.gz MJSVPXOZWJDTIZ-GXTWGEPZSA-N -1 3 289.375 3.151 20 0 CGADHM O=C(Nc1c([O-])cccc1Cl)c1occ2c1CCC2 ZINC001569682706 961817159 /nfs/dbraw/zinc/81/71/59/961817159.db2.gz RBOCJIMWBMQSNM-UHFFFAOYSA-N -1 3 277.707 3.380 20 0 CGADHM Cc1cc(NC(=O)c2cccc3n[n-]nc32)ccc1Cl ZINC001570910935 962109745 /nfs/dbraw/zinc/10/97/45/962109745.db2.gz YQBYGPOWVSYDGO-UHFFFAOYSA-N -1 3 286.722 3.172 20 0 CGADHM Cc1c2ccccc2oc1[C@@H](C)N[C@@H](C(=O)[O-])C1CC1 ZINC001574306361 962290124 /nfs/dbraw/zinc/29/01/24/962290124.db2.gz HSHCSXAQSUJGCH-QMTHXVAHSA-N -1 3 273.332 3.255 20 0 CGADHM C[C@@H]1CCCC[C@H]1COc1ccccc1-c1nnn[n-]1 ZINC001576171438 962435900 /nfs/dbraw/zinc/43/59/00/962435900.db2.gz QHAZOKRCFOIPLI-NEPJUHHUSA-N -1 3 272.352 3.072 20 0 CGADHM C[C@@H]1CCCC[C@H]1COc1ccccc1-c1nn[n-]n1 ZINC001576171438 962435912 /nfs/dbraw/zinc/43/59/12/962435912.db2.gz QHAZOKRCFOIPLI-NEPJUHHUSA-N -1 3 272.352 3.072 20 0 CGADHM Cc1ccnc(S[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC001581281156 962749313 /nfs/dbraw/zinc/74/93/13/962749313.db2.gz YMLWXMXMDRKRQM-LLVKDONJSA-N -1 3 297.387 3.423 20 0 CGADHM Cc1ccnc(S[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001581281156 962749323 /nfs/dbraw/zinc/74/93/23/962749323.db2.gz YMLWXMXMDRKRQM-LLVKDONJSA-N -1 3 297.387 3.423 20 0 CGADHM Clc1cc(CSCC2CC2)cc(-c2nnn[n-]2)c1 ZINC001581746482 962752730 /nfs/dbraw/zinc/75/27/30/962752730.db2.gz VFGDXBHPDSVIOM-UHFFFAOYSA-N -1 3 280.784 3.163 20 0 CGADHM Clc1cc(CSCC2CC2)cc(-c2nn[n-]n2)c1 ZINC001581746482 962752744 /nfs/dbraw/zinc/75/27/44/962752744.db2.gz VFGDXBHPDSVIOM-UHFFFAOYSA-N -1 3 280.784 3.163 20 0 CGADHM Cc1ccc(C(=O)Nc2nc(CC(C)C)ns2)c([O-])c1 ZINC001583854573 962861607 /nfs/dbraw/zinc/86/16/07/962861607.db2.gz WHKRLLXTJKEQOO-UHFFFAOYSA-N -1 3 291.376 3.003 20 0 CGADHM C=C/C=C/CCSc1cccc(F)c1-c1nnn[n-]1 ZINC001588530354 963280726 /nfs/dbraw/zinc/28/07/26/963280726.db2.gz KNNGKHRVXZUENE-ONEGZZNKSA-N -1 3 276.340 3.230 20 0 CGADHM C=COc1ccc(NCc2csc(-c3nnn[n-]3)c2)cc1 ZINC001588716620 963306725 /nfs/dbraw/zinc/30/67/25/963306725.db2.gz JDLICWIHBKYDPL-UHFFFAOYSA-N -1 3 299.359 3.063 20 0 CGADHM C[C@H](N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21)c1cccnc1 ZINC001589122684 963342225 /nfs/dbraw/zinc/34/22/25/963342225.db2.gz FUFWFIFBDJXYOT-KNXALSJPSA-N -1 3 282.343 3.045 20 0 CGADHM CC(C)n1cc([C@H](C)NCc2ccccc2C(=O)[O-])cn1 ZINC001589131352 963349259 /nfs/dbraw/zinc/34/92/59/963349259.db2.gz KBHHHNTZBIOSKL-LBPRGKRZSA-N -1 3 287.363 3.013 20 0 CGADHM C[C@H](NCC1(C)CCCCC1)c1ncc(C(=O)[O-])s1 ZINC000314799304 963811412 /nfs/dbraw/zinc/81/14/12/963811412.db2.gz MWDVLRPFLNMFOB-JTQLQIEISA-N -1 3 282.409 3.462 20 0 CGADHM CC[C@H](C)C[C@@H](C)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC000315346260 963886373 /nfs/dbraw/zinc/88/63/73/963886373.db2.gz OTXHEZZWGOGMSX-AEJSXWLSSA-N -1 3 270.398 3.317 20 0 CGADHM CC(C)[C@@H]1CCCCN1c1cc(F)ccc1-c1nnn[n-]1 ZINC001589507707 963997179 /nfs/dbraw/zinc/99/71/79/963997179.db2.gz POMMZHFMVVTYFF-ZDUSSCGKSA-N -1 3 289.358 3.021 20 0 CGADHM CC(C)[C@@H]1CCCCN1c1cc(F)ccc1-c1nn[n-]n1 ZINC001589507707 963997187 /nfs/dbraw/zinc/99/71/87/963997187.db2.gz POMMZHFMVVTYFF-ZDUSSCGKSA-N -1 3 289.358 3.021 20 0 CGADHM CC(C)CN(C/C=C/Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC001589619372 964009464 /nfs/dbraw/zinc/00/94/64/964009464.db2.gz HGRXKAZGUMWTFU-FPYGCLRLSA-N -1 3 291.786 3.082 20 0 CGADHM CC(C)c1cccc(CN[C@H](C(=O)[O-])c2cccnc2)c1 ZINC001591988119 976615176 /nfs/dbraw/zinc/61/51/76/976615176.db2.gz WCTIATXTDAHRFM-INIZCTEOSA-N -1 3 284.359 3.121 20 0 CGADHM CC[C@]1(C)CCCN(Cc2cc(C(=O)[O-])c(C)[nH]2)C1 ZINC001595369442 980838956 /nfs/dbraw/zinc/83/89/56/980838956.db2.gz ZLMGBTMYAAITBW-OAHLLOKOSA-N -1 3 264.369 3.033 20 0 CGADHM CC[C@H](C)[C@@H](CNCc1cc(C(=O)[O-])ccc1Cl)OC ZINC001594884652 982264514 /nfs/dbraw/zinc/26/45/14/982264514.db2.gz YDHFBGPLKBWJRM-IINYFYTJSA-N -1 3 299.798 3.189 20 0 CGADHM CCN(Cc1c(Cl)cccc1C(=O)[O-])C1CCC1 ZINC001596350691 983804891 /nfs/dbraw/zinc/80/48/91/983804891.db2.gz NDAULCFCTSTHFI-UHFFFAOYSA-N -1 3 267.756 3.413 20 0 CGADHM CCN(Cc1cc(C(=O)[O-])c(C)n1C)Cc1ccccc1 ZINC001596371642 983871489 /nfs/dbraw/zinc/87/14/89/983871489.db2.gz WBRQXVXQOWTIDJ-UHFFFAOYSA-N -1 3 286.375 3.054 20 0 CGADHM Cc1[nH]c(CN2CCC(C3CCCC3)CC2)cc1C(=O)[O-] ZINC001599961750 985795557 /nfs/dbraw/zinc/79/55/57/985795557.db2.gz HYGHFZOHEFLKOP-UHFFFAOYSA-N -1 3 290.407 3.424 20 0 CGADHM C[C@@H]1Cc2ccccc2CN1Cc1cc(C(=O)[O-])cs1 ZINC001594622417 986666412 /nfs/dbraw/zinc/66/64/12/986666412.db2.gz GOXTYYFIJNOCCI-LLVKDONJSA-N -1 3 287.384 3.393 20 0 CGADHM CCOc1cccc(Cl)c1CN1CCC[C@@H]1CC(=O)[O-] ZINC001597155221 986947972 /nfs/dbraw/zinc/94/79/72/986947972.db2.gz JEFYOUKZBQMTCE-LLVKDONJSA-N -1 3 297.782 3.178 20 0 CGADHM CC[C@H](NCc1cncc(C(=O)[O-])c1)c1ccccc1 ZINC001597349345 987485035 /nfs/dbraw/zinc/48/50/35/987485035.db2.gz HWXZPYQORXSESC-HNNXBMFYSA-N -1 3 270.332 3.021 20 0 CGADHM CCc1[nH]c(CN[C@H](C)c2ccc(F)cc2)cc1C(=O)[O-] ZINC001597394730 987643091 /nfs/dbraw/zinc/64/30/91/987643091.db2.gz FCENVABXFLMCOW-SNVBAGLBSA-N -1 3 290.338 3.265 20 0 CGADHM CCc1oc(CN2CC[C@H]2Cc2ccccc2)cc1C(=O)[O-] ZINC001597796051 989350949 /nfs/dbraw/zinc/35/09/49/989350949.db2.gz IJAVWYCQAFCCLF-AWEZNQCLSA-N -1 3 299.370 3.357 20 0 CGADHM CC(C)CCOCCN[C@H](C(=O)[O-])c1ccccc1Cl ZINC001591259433 992161850 /nfs/dbraw/zinc/16/18/50/992161850.db2.gz IVQCLKJJPIACBJ-AWEZNQCLSA-N -1 3 299.798 3.118 20 0 CGADHM C[C@H](NCCCc1ccsc1)c1ncc(C(=O)[O-])s1 ZINC001593267706 994591094 /nfs/dbraw/zinc/59/10/94/994591094.db2.gz RAQCMYCKKQCGJM-VIFPVBQESA-N -1 3 296.417 3.186 20 0 CGADHM C[C@H](c1ncc(C(=O)[O-])s1)N1CCC[C@H]1C1CCC1 ZINC001593732172 996308691 /nfs/dbraw/zinc/30/86/91/996308691.db2.gz PGYMUORSRSLSHC-KOLCDFICSA-N -1 3 280.393 3.167 20 0 CGADHM CC1(C)CN(C[C@@H]2[C@H](C(=O)[O-])C2(F)F)[C@H]1c1ccccc1 ZINC001593939577 996933911 /nfs/dbraw/zinc/93/39/11/996933911.db2.gz PMAAVFLRMDEEKI-UPJWGTAASA-N -1 3 295.329 3.035 20 0 CGADHM CC12CC(C1)CN2C(=O)c1cc([O-])ccc1C(F)(F)F ZINC000621216570 349473898 /nfs/dbraw/zinc/47/38/98/349473898.db2.gz SBZQVRLSWJIUJM-UHFFFAOYSA-N -1 3 285.265 3.036 20 0 CGADHM CCc1cc(=O)[n-]c(CN[C@H](C(F)F)C2CCCCC2)n1 ZINC000621402079 349520879 /nfs/dbraw/zinc/52/08/79/349520879.db2.gz SGQROGBIEAANMA-AWEZNQCLSA-N -1 3 299.365 3.048 20 0 CGADHM Cc1cc(C(=O)N2CCc3cc(F)cc(C)c3C2)ccc1[O-] ZINC000337528400 214139111 /nfs/dbraw/zinc/13/91/11/214139111.db2.gz YZSKBCHUEUYQOM-UHFFFAOYSA-N -1 3 299.345 3.347 20 0 CGADHM CC(C)(C)c1ccc(NC(=O)[C@H]2CCC[C@H](O)C2)c([O-])c1 ZINC000337654814 214200174 /nfs/dbraw/zinc/20/01/74/214200174.db2.gz MPWDJUKAGCKKAD-AAEUAGOBSA-N -1 3 291.391 3.179 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])[C@@H]1C[C@H]1C1CCCC1 ZINC000651586428 398256156 /nfs/dbraw/zinc/25/61/56/398256156.db2.gz ABOQUDCWGZSAFL-NWDGAFQWSA-N -1 3 263.312 3.296 20 0 CGADHM Cc1cccc([O-])c1NC(=O)[C@H]1CCc2ccccc2C1 ZINC000651637860 398259750 /nfs/dbraw/zinc/25/97/50/398259750.db2.gz BIVHOQOYILPXTL-HNNXBMFYSA-N -1 3 281.355 3.444 20 0 CGADHM CCC[C@H]1CCCC[C@@H]1NC(=O)c1ccc2n[n-]nc2c1 ZINC000590591586 346853370 /nfs/dbraw/zinc/85/33/70/346853370.db2.gz IRWHFLIHLFVAIG-AAEUAGOBSA-N -1 3 286.379 3.047 20 0 CGADHM CC(C)C[C@H]1CCCCCN1C(=O)c1cc(F)c[n-]c1=O ZINC000621893676 349603385 /nfs/dbraw/zinc/60/33/85/349603385.db2.gz RCOPXORDSYGCKE-CYBMUJFWSA-N -1 3 294.370 3.357 20 0 CGADHM CC[C@H](C)N(C)C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621904115 349604946 /nfs/dbraw/zinc/60/49/46/349604946.db2.gz BXWLYJHPROYECU-QMMMGPOBSA-N -1 3 275.270 3.282 20 0 CGADHM CCC1(CC)CCCN(C(=O)c2cc(F)c[n-]c2=O)CC1 ZINC000621969457 349615027 /nfs/dbraw/zinc/61/50/27/349615027.db2.gz WEAPGOAOZYOAHR-UHFFFAOYSA-N -1 3 294.370 3.359 20 0 CGADHM CC/C=C\CNC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622083661 349627113 /nfs/dbraw/zinc/62/71/13/349627113.db2.gz JROCVBXFMGBBHL-ARJAWSKDSA-N -1 3 273.254 3.107 20 0 CGADHM CCc1cc(=O)[n-]c(CSc2ncccc2Cl)n1 ZINC000125482252 187187511 /nfs/dbraw/zinc/18/75/11/187187511.db2.gz SHGHQXXLDXULKS-UHFFFAOYSA-N -1 3 281.768 3.085 20 0 CGADHM CC[C@@H](C)[C@H](C)N(C(=O)c1ccc([O-])c(OC)c1)C1CC1 ZINC000436635237 529411493 /nfs/dbraw/zinc/41/14/93/529411493.db2.gz SBWORBQLJSTLKQ-NEPJUHHUSA-N -1 3 291.391 3.440 20 0 CGADHM CCc1ccc(C(=O)N2CC(C)(c3ccccc3)C2)c([O-])c1 ZINC000622209548 349651509 /nfs/dbraw/zinc/65/15/09/349651509.db2.gz VHVZCDAUAZDIHN-UHFFFAOYSA-N -1 3 295.382 3.368 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)NCc1ccccc1Cl ZINC000622275281 349666860 /nfs/dbraw/zinc/66/68/60/349666860.db2.gz WATPEUXHUPQMJP-UHFFFAOYSA-N -1 3 293.725 3.044 20 0 CGADHM CCc1cccc(C(=O)NCc2ccccc2C)c1[O-] ZINC000622282300 349667976 /nfs/dbraw/zinc/66/79/76/349667976.db2.gz OCRMGKCLSBKYCY-UHFFFAOYSA-N -1 3 269.344 3.193 20 0 CGADHM CO[C@@H](C)CNC(=O)c1cc(C(C)C)cc(C(C)C)c1[O-] ZINC000622546072 349685909 /nfs/dbraw/zinc/68/59/09/349685909.db2.gz FTFLVKCKYYZJIG-LBPRGKRZSA-N -1 3 293.407 3.404 20 0 CGADHM CCc1cccc(C(=O)N[C@@H]2CCC(C)(C)C2)c1[O-] ZINC000622477876 349682025 /nfs/dbraw/zinc/68/20/25/349682025.db2.gz OEGXPJMWHWUEID-GFCCVEGCSA-N -1 3 261.365 3.263 20 0 CGADHM CCc1ccc([O-])c(C(=O)N[C@@H]2CC(C)(C)OC2(C)C)c1 ZINC000622492226 349682958 /nfs/dbraw/zinc/68/29/58/349682958.db2.gz PISJIBMLGLSSCB-CQSZACIVSA-N -1 3 291.391 3.031 20 0 CGADHM CCc1cccc(C(=O)N[C@@H](C2CC2)C2CCC2)c1[O-] ZINC000622681067 349694114 /nfs/dbraw/zinc/69/41/14/349694114.db2.gz ATDIIZXWJCRYDX-OAHLLOKOSA-N -1 3 273.376 3.263 20 0 CGADHM CCc1cc(C(=O)N[C@@H](C)c2ccncc2CC)ccc1[O-] ZINC000436706247 529518444 /nfs/dbraw/zinc/51/84/44/529518444.db2.gz OYHKMZXIRKFOLX-LBPRGKRZSA-N -1 3 298.386 3.403 20 0 CGADHM CC(C)N(C)c1ccccc1NC(=O)c1cccc([O-])c1 ZINC000622579462 349687878 /nfs/dbraw/zinc/68/78/78/349687878.db2.gz GSSQXKUWRXPPAA-UHFFFAOYSA-N -1 3 284.359 3.489 20 0 CGADHM Cc1cc(F)ccc1C[C@H](C)NC(=O)c1cccc([O-])c1 ZINC000622746680 349699028 /nfs/dbraw/zinc/69/90/28/349699028.db2.gz GROGAEWJWWIYLG-LBPRGKRZSA-N -1 3 287.334 3.201 20 0 CGADHM CC[C@H](NC(=O)c1ccc(C(C)C)cc1[O-])[C@H]1CCCO1 ZINC000436668241 529564862 /nfs/dbraw/zinc/56/48/62/529564862.db2.gz BDGACPCAILPOMO-GOEBONIOSA-N -1 3 291.391 3.203 20 0 CGADHM CCc1ccc(C(=O)N(C)[C@H]2CC[C@H](C)C2)c([O-])c1 ZINC000436877051 529593313 /nfs/dbraw/zinc/59/33/13/529593313.db2.gz MSEQVKXXWHSJPT-AAEUAGOBSA-N -1 3 261.365 3.215 20 0 CGADHM CCc1ccc(C(=O)N(C)[C@@H](C)C2CCC2)c([O-])c1 ZINC000436842619 529593419 /nfs/dbraw/zinc/59/34/19/529593419.db2.gz XLPKDIACJHNIST-NSHDSACASA-N -1 3 261.365 3.215 20 0 CGADHM CCc1ccc(C(=O)N[C@@H](CC)c2ccncc2)c([O-])c1 ZINC000191758338 529606343 /nfs/dbraw/zinc/60/63/43/529606343.db2.gz QDOJCKGCBOJGBR-HNNXBMFYSA-N -1 3 284.359 3.231 20 0 CGADHM CCc1ccc(C(=O)N2CCCC[C@@H]2C(F)F)c([O-])c1 ZINC000436519445 529595401 /nfs/dbraw/zinc/59/54/01/529595401.db2.gz PXNAZTDGCWYGOL-GFCCVEGCSA-N -1 3 283.318 3.214 20 0 CGADHM CCc1ccc(C(=O)N2CC[C@H](C)C[C@H](C)C2)c([O-])c1 ZINC000436830952 529599976 /nfs/dbraw/zinc/59/99/76/529599976.db2.gz OSZACKAPLDBYRZ-STQMWFEESA-N -1 3 275.392 3.463 20 0 CGADHM CC[C@H](NCc1cc([O-])ccc1Br)C(F)F ZINC000449357792 529624340 /nfs/dbraw/zinc/62/43/40/529624340.db2.gz DRJOHGKFYQWQHJ-JTQLQIEISA-N -1 3 294.139 3.288 20 0 CGADHM Cc1ccc(CSCc2cc(=O)[n-]c(C3CC3)n2)nc1 ZINC000591387920 346920167 /nfs/dbraw/zinc/92/01/67/346920167.db2.gz CEKDQMKKBHYDJU-UHFFFAOYSA-N -1 3 287.388 3.196 20 0 CGADHM CCc1ccc([O-])c(-c2nc(Cc3cscn3)no2)c1 ZINC000436896233 529690722 /nfs/dbraw/zinc/69/07/22/529690722.db2.gz MHQUAYUWXMEHRR-UHFFFAOYSA-N -1 3 287.344 3.052 20 0 CGADHM CCc1nc([N-]C(=O)c2cc(C3CC3)no2)sc1C ZINC000333033902 529743950 /nfs/dbraw/zinc/74/39/50/529743950.db2.gz BCHZXDVRHKXKHY-UHFFFAOYSA-N -1 3 277.349 3.132 20 0 CGADHM Cc1ccc([O-])c(CN2CC[C@H](C(F)(F)F)C[C@@H]2C)n1 ZINC000295023953 199305708 /nfs/dbraw/zinc/30/57/08/199305708.db2.gz NJYPVKSVKYDCAI-QWRGUYRKSA-N -1 3 288.313 3.258 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CCC[C@@H]1c1ccncc1 ZINC000623692757 349867992 /nfs/dbraw/zinc/86/79/92/349867992.db2.gz RPFZEVZKPHVNKD-CQSZACIVSA-N -1 3 282.343 3.073 20 0 CGADHM CCCCn1c(=O)[n-]nc1SCc1ccccc1OC ZINC000022615703 344895775 /nfs/dbraw/zinc/89/57/75/344895775.db2.gz AVVIUDHVKCJDFQ-UHFFFAOYSA-N -1 3 293.392 3.085 20 0 CGADHM O=C(Cc1ccc2c(c1)CCCC2)Nc1ccccc1[O-] ZINC000028689722 344914579 /nfs/dbraw/zinc/91/45/79/344914579.db2.gz VDCYQLBHOZXUEN-UHFFFAOYSA-N -1 3 281.355 3.452 20 0 CGADHM CCc1cc(C(=O)Nc2cc(C(C)(C)C)ccc2[O-])n[nH]1 ZINC000028874051 344915008 /nfs/dbraw/zinc/91/50/08/344915008.db2.gz QCGRZWOTCQOHDR-UHFFFAOYSA-N -1 3 287.363 3.228 20 0 CGADHM O=C([O-])CCC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000050926210 345085549 /nfs/dbraw/zinc/08/55/49/345085549.db2.gz NHZCOKGPVDQCNX-UHFFFAOYSA-N -1 3 281.783 3.417 20 0 CGADHM COc1ccc([C@@H](NC(=O)c2ccccc2[O-])C2CC2)cc1 ZINC000053722035 345124391 /nfs/dbraw/zinc/12/43/91/345124391.db2.gz LZBMHUJWNRGVHF-KRWDZBQOSA-N -1 3 297.354 3.282 20 0 CGADHM CC[C@H]1C[C@@H](CC(=O)Nc2ccc(C)cc2[O-])CCO1 ZINC000273245841 192086045 /nfs/dbraw/zinc/08/60/45/192086045.db2.gz UILCISAGGFIWNS-STQMWFEESA-N -1 3 277.364 3.234 20 0 CGADHM Cc1cccc(-c2nc3ccc(C(C)C)cc3c(=O)[n-]2)n1 ZINC000060797328 345222984 /nfs/dbraw/zinc/22/29/84/345222984.db2.gz UYEFDBYHJOQZCK-UHFFFAOYSA-N -1 3 279.343 3.417 20 0 CGADHM CCC[C@H](C)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000072542566 345412005 /nfs/dbraw/zinc/41/20/05/345412005.db2.gz MFKZXXNAHXSVLT-VIFPVBQESA-N -1 3 295.326 3.172 20 0 CGADHM Cc1ccc(NC(=O)c2cc(C(C)C)no2)c([O-])c1 ZINC000073067106 345429180 /nfs/dbraw/zinc/42/91/80/345429180.db2.gz YXBJLZAUGBTHSJ-UHFFFAOYSA-N -1 3 260.293 3.064 20 0 CGADHM Cc1ccoc1-c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000078759732 345621593 /nfs/dbraw/zinc/62/15/93/345621593.db2.gz OCNKXWLLJJLDBP-UHFFFAOYSA-N -1 3 286.356 3.432 20 0 CGADHM C[C@@H]1C[C@@H]1c1ccc(CN2CCC[C@H](CC(=O)[O-])C2)o1 ZINC000086757058 345750579 /nfs/dbraw/zinc/75/05/79/345750579.db2.gz AKTZPCOCLHGNFG-BZPMIXESSA-N -1 3 277.364 3.090 20 0 CGADHM Cc1cccc([C@H](C)NCc2nc(=O)c3sccc3[n-]2)c1 ZINC000157322625 232231738 /nfs/dbraw/zinc/23/17/38/232231738.db2.gz VJPUFHXEBKWJTK-NSHDSACASA-N -1 3 299.399 3.144 20 0 CGADHM Cc1ccccc1CN(C)[C@H](C)c1ccc(C(=O)[O-])o1 ZINC000091780911 345823763 /nfs/dbraw/zinc/82/37/63/345823763.db2.gz VUFLOVDJRBGKPG-GFCCVEGCSA-N -1 3 273.332 3.479 20 0 CGADHM CCc1cccc(C(=O)N2CCC[C@@H](C)[C@H]2C)c1[O-] ZINC000091743629 345822351 /nfs/dbraw/zinc/82/23/51/345822351.db2.gz VONZJVNSEFAAKN-VXGBXAGGSA-N -1 3 261.365 3.215 20 0 CGADHM CCc1cccc(C(=O)N(C)[C@@H](C)c2ccccn2)c1[O-] ZINC000094063009 345894737 /nfs/dbraw/zinc/89/47/37/345894737.db2.gz RBDDDVWETZSXPV-LBPRGKRZSA-N -1 3 284.359 3.183 20 0 CGADHM CC(C)C[C@H]([N-]S(=O)(=O)c1ccoc1)c1cccs1 ZINC000351643354 219160660 /nfs/dbraw/zinc/16/06/60/219160660.db2.gz BWBXXWVJGPCFHO-LBPRGKRZSA-N -1 3 299.417 3.407 20 0 CGADHM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2C)ccc1F ZINC000105589692 345928427 /nfs/dbraw/zinc/92/84/27/345928427.db2.gz MXOBSUOPQVIHGX-UHFFFAOYSA-N -1 3 297.326 3.382 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CCC3(C2)CCCCC3)c1 ZINC000174011349 232292334 /nfs/dbraw/zinc/29/23/34/232292334.db2.gz KDBQDSFFOPWXCS-UHFFFAOYSA-N -1 3 273.376 3.497 20 0 CGADHM C[C@@]1(C(=O)[O-])CCCN(Cc2cc(F)ccc2Cl)C1 ZINC000124462777 346013243 /nfs/dbraw/zinc/01/32/43/346013243.db2.gz FXDVYZQJKWOXLG-CQSZACIVSA-N -1 3 285.746 3.166 20 0 CGADHM C[C@@H]1CCN(Cc2ccc(Cl)cc2)[C@H](C(=O)[O-])C1 ZINC000129440112 346049231 /nfs/dbraw/zinc/04/92/31/346049231.db2.gz DTPHYZOEUQBSFQ-MFKMUULPSA-N -1 3 267.756 3.025 20 0 CGADHM CC[C@@H](C(=O)NCc1ccc([O-])c(F)c1)c1ccccc1 ZINC000133205976 346076508 /nfs/dbraw/zinc/07/65/08/346076508.db2.gz DGLTYFAGKFFCKQ-CQSZACIVSA-N -1 3 287.334 3.341 20 0 CGADHM COc1nc(C(=O)Nc2ccccc2[O-])cc2ccccc21 ZINC000139647290 346101175 /nfs/dbraw/zinc/10/11/75/346101175.db2.gz CEHJWJLQZUBQGW-UHFFFAOYSA-N -1 3 294.310 3.201 20 0 CGADHM COc1cc(C)ccc1NC(=O)c1cc(-c2ccco2)[n-]n1 ZINC000131110223 346063231 /nfs/dbraw/zinc/06/32/31/346063231.db2.gz GDHUXRYAFKMGQA-UHFFFAOYSA-N -1 3 297.314 3.239 20 0 CGADHM COc1cc(C)ccc1NC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000131110223 346063234 /nfs/dbraw/zinc/06/32/34/346063234.db2.gz GDHUXRYAFKMGQA-UHFFFAOYSA-N -1 3 297.314 3.239 20 0 CGADHM O=C(Nc1ccc([O-])cc1Cl)[C@@H]1CCCCS1 ZINC000157721024 346162544 /nfs/dbraw/zinc/16/25/44/346162544.db2.gz OVEVUKWBJOSWHZ-NSHDSACASA-N -1 3 271.769 3.270 20 0 CGADHM O=C([N-]c1cnoc1)c1cc2cc(F)ccc2s1 ZINC000624011091 349945533 /nfs/dbraw/zinc/94/55/33/349945533.db2.gz JZEUXDAHVUINPV-UHFFFAOYSA-N -1 3 262.265 3.281 20 0 CGADHM CCOc1ccc(CNCc2cccc(C(=O)[O-])c2)cc1 ZINC000213492266 346287109 /nfs/dbraw/zinc/28/71/09/346287109.db2.gz OSBYUKJMSSKEFC-UHFFFAOYSA-N -1 3 285.343 3.073 20 0 CGADHM O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1c(F)cccc1Cl ZINC000229219255 346316147 /nfs/dbraw/zinc/31/61/47/346316147.db2.gz WYKNDOCYDFGJLF-BFVZDQMLSA-N -1 3 297.757 3.164 20 0 CGADHM C=CCCCCCN1CCc2ccc(C(=O)[O-])cc2C1 ZINC000236477317 346340712 /nfs/dbraw/zinc/34/07/12/346340712.db2.gz PEFVLRZETLXFAL-UHFFFAOYSA-N -1 3 273.376 3.489 20 0 CGADHM O=C(Nc1nc2c(s1)CCC2)c1cc([O-])ccc1Cl ZINC000236610364 346341783 /nfs/dbraw/zinc/34/17/83/346341783.db2.gz NOEUUNQJKIFPHN-UHFFFAOYSA-N -1 3 294.763 3.243 20 0 CGADHM O=C([O-])[C@@H]1[C@H]2CCC[C@H]2CN1Cc1cccc(Cl)c1F ZINC000300126720 346436217 /nfs/dbraw/zinc/43/62/17/346436217.db2.gz AFCNTFCDUXTJLW-CHIMOYNISA-N -1 3 297.757 3.164 20 0 CGADHM C[C@H](c1cccc2ccccc21)N1CCO[C@H](CC(=O)[O-])C1 ZINC000316868895 346485980 /nfs/dbraw/zinc/48/59/80/346485980.db2.gz KIUFYGRMQOAWIP-UKRRQHHQSA-N -1 3 299.370 3.076 20 0 CGADHM C[C@H](c1cccc2ccccc21)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000316868892 346486009 /nfs/dbraw/zinc/48/60/09/346486009.db2.gz KIUFYGRMQOAWIP-HIFRSBDPSA-N -1 3 299.370 3.076 20 0 CGADHM COc1ccc([O-])c(-c2nc(C3(C)CCCC3)no2)c1 ZINC000312947195 346478550 /nfs/dbraw/zinc/47/85/50/346478550.db2.gz BVJWLRMDZXTZFI-UHFFFAOYSA-N -1 3 274.320 3.283 20 0 CGADHM C[C@H](Cc1cccc(O)c1)NCc1cccc([O-])c1Cl ZINC000339238939 215034027 /nfs/dbraw/zinc/03/40/27/215034027.db2.gz LFKIXCDAXNZJIU-LLVKDONJSA-N -1 3 291.778 3.472 20 0 CGADHM CCC(CC)n1ccc(CN(CCC(=O)[O-])CC(C)C)n1 ZINC000584639169 346702300 /nfs/dbraw/zinc/70/23/00/346702300.db2.gz YSEKNOABFHBYSQ-UHFFFAOYSA-N -1 3 295.427 3.177 20 0 CGADHM CC(C)[C@@]1(C)C[C@H]1c1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000584695664 346708154 /nfs/dbraw/zinc/70/81/54/346708154.db2.gz WYPRJUMRWUVYMX-ZUZCIYMTSA-N -1 3 283.335 3.158 20 0 CGADHM CSCCCCCNC(=O)c1cc(SC)ccc1[O-] ZINC000597529425 347580751 /nfs/dbraw/zinc/58/07/51/347580751.db2.gz CHUPVDWZAXAGIV-UHFFFAOYSA-N -1 3 299.461 3.377 20 0 CGADHM [O-]c1ccc(-c2noc(CCc3ccccc3F)n2)cc1 ZINC000598527358 347663795 /nfs/dbraw/zinc/66/37/95/347663795.db2.gz TUJPWHNMWDIVFY-UHFFFAOYSA-N -1 3 284.290 3.367 20 0 CGADHM CC[C@@H](C)C(=O)N=c1cc(-c2cccc(Cl)c2)[n-][nH]1 ZINC000598897350 347698632 /nfs/dbraw/zinc/69/86/32/347698632.db2.gz OUNGMRAQQLVNKH-SECBINFHSA-N -1 3 277.755 3.137 20 0 CGADHM CSC1CCN([C@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC000601964502 347929809 /nfs/dbraw/zinc/92/98/09/347929809.db2.gz RCGKQTJSXWPDMC-ZDUSSCGKSA-N -1 3 299.823 3.293 20 0 CGADHM CCO[N-]C(=O)Nc1c(C)cc(C)cc1Br ZINC000273939344 192371881 /nfs/dbraw/zinc/37/18/81/192371881.db2.gz WWQNQGAZRLUZQE-UHFFFAOYSA-N -1 3 287.157 3.139 20 0 CGADHM [O-]c1cccc(CNCC2(C(F)F)CC2)c1Cl ZINC000339381498 215136524 /nfs/dbraw/zinc/13/65/24/215136524.db2.gz XDSMWMZCDMAAHD-UHFFFAOYSA-N -1 3 261.699 3.181 20 0 CGADHM Clc1oc2ccccc2c1CSCCc1nnn[n-]1 ZINC000603340912 348072809 /nfs/dbraw/zinc/07/28/09/348072809.db2.gz BYOMMJVTZTYFNT-UHFFFAOYSA-N -1 3 294.767 3.075 20 0 CGADHM Clc1oc2ccccc2c1CSCCc1nn[n-]n1 ZINC000603340912 348072812 /nfs/dbraw/zinc/07/28/12/348072812.db2.gz BYOMMJVTZTYFNT-UHFFFAOYSA-N -1 3 294.767 3.075 20 0 CGADHM Cc1ccc(NC(=O)CO[C@H]2CCC[C@@H](C)C2)c([O-])c1 ZINC000602941924 348045813 /nfs/dbraw/zinc/04/58/13/348045813.db2.gz ALODAFLTKWTYJL-YPMHNXCESA-N -1 3 277.364 3.234 20 0 CGADHM C[C@@H](Sc1n[n-]c(-c2ccccn2)n1)c1ccncc1 ZINC000605077488 348147095 /nfs/dbraw/zinc/14/70/95/348147095.db2.gz ZTRMIYGXULRWKH-SNVBAGLBSA-N -1 3 283.360 3.115 20 0 CGADHM Cc1c(F)cccc1NC(=O)c1c[n-]c2ccccc2c1=O ZINC000608614619 348320742 /nfs/dbraw/zinc/32/07/42/348320742.db2.gz WENRAGCYDHDOOY-UHFFFAOYSA-N -1 3 296.301 3.228 20 0 CGADHM Cc1c(F)cccc1NC(=O)c1cnc2ccccc2c1[O-] ZINC000608614619 348320747 /nfs/dbraw/zinc/32/07/47/348320747.db2.gz WENRAGCYDHDOOY-UHFFFAOYSA-N -1 3 296.301 3.228 20 0 CGADHM C[C@H](CC(=O)Nc1nnc(-c2ccco2)[n-]1)CC(C)(C)C ZINC000613341423 348591598 /nfs/dbraw/zinc/59/15/98/348591598.db2.gz LYDTYFOPSVUYKC-SNVBAGLBSA-N -1 3 290.367 3.466 20 0 CGADHM C[C@H](CC(=O)Nc1nc(-c2ccco2)n[n-]1)CC(C)(C)C ZINC000613341423 348591600 /nfs/dbraw/zinc/59/16/00/348591600.db2.gz LYDTYFOPSVUYKC-SNVBAGLBSA-N -1 3 290.367 3.466 20 0 CGADHM C[C@H](CC(=O)Nc1n[n-]c(-c2ccco2)n1)CC(C)(C)C ZINC000613341423 348591602 /nfs/dbraw/zinc/59/16/02/348591602.db2.gz LYDTYFOPSVUYKC-SNVBAGLBSA-N -1 3 290.367 3.466 20 0 CGADHM CCCCCc1cc(C(=O)Nc2c(C)cccc2[O-])n[nH]1 ZINC000613209476 348575845 /nfs/dbraw/zinc/57/58/45/348575845.db2.gz YVAABHALXMVYFV-UHFFFAOYSA-N -1 3 287.363 3.409 20 0 CGADHM O=C(NCc1ncccc1[O-])[C@H]1CC[C@H](C2CCC2)CC1 ZINC000614256390 348662799 /nfs/dbraw/zinc/66/27/99/348662799.db2.gz ZGGPYMHSOHUXKP-HDJSIYSDSA-N -1 3 288.391 3.010 20 0 CGADHM C[C@H]1CCN(C(=O)c2ncccc2F)c2c([O-])cccc21 ZINC000613575448 348620020 /nfs/dbraw/zinc/62/00/20/348620020.db2.gz CVHYAMNQIFBHOX-JTQLQIEISA-N -1 3 286.306 3.080 20 0 CGADHM CSc1ccc([O-])c(C(=O)N2CCCC[C@H](C)C2)c1 ZINC000613616126 348622807 /nfs/dbraw/zinc/62/28/07/348622807.db2.gz AMXMFJIONFRGSM-NSHDSACASA-N -1 3 279.405 3.376 20 0 CGADHM C[C@@H](CC(=O)Nc1c([O-])cccc1Cl)[C@H]1CCCO1 ZINC000615322251 348731736 /nfs/dbraw/zinc/73/17/36/348731736.db2.gz OSAZUAFQQDSXSR-JOYOIKCWSA-N -1 3 283.755 3.189 20 0 CGADHM CSc1ccc([O-])c(C(=O)N2CC(C)(C)[C@@H]2C2CC2)c1 ZINC000615036816 348710449 /nfs/dbraw/zinc/71/04/49/348710449.db2.gz BUTYGNJCDSCRLJ-AWEZNQCLSA-N -1 3 291.416 3.375 20 0 CGADHM CC1(C)CC[C@H](C(=O)NCc2ccc([O-])c3ncccc23)C1 ZINC000616022968 348782333 /nfs/dbraw/zinc/78/23/33/348782333.db2.gz LXRXPJLDWIOYGT-LBPRGKRZSA-N -1 3 298.386 3.383 20 0 CGADHM CC(C)[C@@]1(C)C[C@H]1C(=O)NCc1ccc([O-])c2ncccc12 ZINC000616023380 348782651 /nfs/dbraw/zinc/78/26/51/348782651.db2.gz RGCCFWLOBLCPOL-KBXCAEBGSA-N -1 3 298.386 3.239 20 0 CGADHM Cc1ccc(C(=O)NC(C)(C)C(F)(F)F)c([O-])c1C ZINC000616202721 348797665 /nfs/dbraw/zinc/79/76/65/348797665.db2.gz FNHVFTXPLYDMBC-UHFFFAOYSA-N -1 3 275.270 3.080 20 0 CGADHM CC(C)OCCCC(=O)Nc1ccc([O-])cc1Cl ZINC000616940825 348884977 /nfs/dbraw/zinc/88/49/77/348884977.db2.gz GNZJWWVZPZZQRI-UHFFFAOYSA-N -1 3 271.744 3.189 20 0 CGADHM Cc1ccc(C(=O)N2CCC(c3ccco3)CC2)c([O-])c1 ZINC000617384003 348955126 /nfs/dbraw/zinc/95/51/26/348955126.db2.gz XFPHLMBZOVPPDS-UHFFFAOYSA-N -1 3 285.343 3.313 20 0 CGADHM CSC1(c2nc(-c3ccc([O-])cc3)no2)CCC1 ZINC000336577720 213476491 /nfs/dbraw/zinc/47/64/91/213476491.db2.gz BXFZCVHAZGSEDO-UHFFFAOYSA-N -1 3 262.334 3.184 20 0 CGADHM CC1(C)CCN(C(=O)c2ccc(O)cc2[O-])CC(C)(C)C1 ZINC000618281229 349065909 /nfs/dbraw/zinc/06/59/09/349065909.db2.gz XFXCPDGJOYQAQU-UHFFFAOYSA-N -1 3 291.391 3.386 20 0 CGADHM CCc1cc(C(=O)N2CCC[C@@H](CCF)C2)ccc1[O-] ZINC000618697186 349146874 /nfs/dbraw/zinc/14/68/74/349146874.db2.gz AORZOXJMYIDFAB-LBPRGKRZSA-N -1 3 279.355 3.166 20 0 CGADHM Cc1cc(=O)[n-]c(C=CC=Cc2ccc(F)cc2F)n1 ZINC000352025276 219291858 /nfs/dbraw/zinc/29/18/58/219291858.db2.gz DUNPQVUHZDJBTA-VOERYJCWSA-N -1 3 274.270 3.083 20 0 CGADHM CCCCOc1ccc(C(=O)N2CC[C@@H]3C[C@@H]3C2)c([O-])c1 ZINC000619366152 349238086 /nfs/dbraw/zinc/23/80/86/349238086.db2.gz ISBXOKATOCMFIB-CHWSQXEVSA-N -1 3 289.375 3.053 20 0 CGADHM COc1ccc2c(c1)N(C(=O)c1ccc(C)cc1[O-])CCC2 ZINC000619937027 349293904 /nfs/dbraw/zinc/29/39/04/349293904.db2.gz BVTMFUDMYNSBMF-UHFFFAOYSA-N -1 3 297.354 3.302 20 0 CGADHM CC(C)c1ccc(C(=O)N(C)CC2=CCSC2)c([O-])c1 ZINC000620852514 349427370 /nfs/dbraw/zinc/42/73/70/349427370.db2.gz RNESRRKYNPNOIF-UHFFFAOYSA-N -1 3 291.416 3.261 20 0 CGADHM C[C@H]1CN(Cc2cc([O-])ccc2Cl)C[C@H](C2CC2)O1 ZINC000625380985 350165929 /nfs/dbraw/zinc/16/59/29/350165929.db2.gz RTLNUBJNPPCPIO-ZUZCIYMTSA-N -1 3 281.783 3.045 20 0 CGADHM Cc1ccc(C(=O)N([C@H](C)C2CC2)C2CC2)c([O-])c1C ZINC000271288845 191054381 /nfs/dbraw/zinc/05/43/81/191054381.db2.gz RLXGHABUHPBXKE-GFCCVEGCSA-N -1 3 273.376 3.412 20 0 CGADHM COc1ccc([O-])c(C(=O)N2CC[C@H](C)C3(CCC3)C2)c1 ZINC000271299026 191058398 /nfs/dbraw/zinc/05/83/98/191058398.db2.gz GHTGZILJQLHMGV-LBPRGKRZSA-N -1 3 289.375 3.053 20 0 CGADHM CCN(C(=O)c1ccc(C)c(C)c1[O-])C1CCCC1 ZINC000271306794 191063588 /nfs/dbraw/zinc/06/35/88/191063588.db2.gz VUILBGOWGAVFQT-UHFFFAOYSA-N -1 3 261.365 3.414 20 0 CGADHM CC[C@H](c1ccncc1)N(C)C(=O)c1c(C)cccc1[O-] ZINC000625735386 350206427 /nfs/dbraw/zinc/20/64/27/350206427.db2.gz AGSHGQMCLPPSOM-CQSZACIVSA-N -1 3 284.359 3.319 20 0 CGADHM C[C@@H]1CN(C/C=C/c2ccc(F)cc2F)CC[C@@H]1C(=O)[O-] ZINC000625970562 350238124 /nfs/dbraw/zinc/23/81/24/350238124.db2.gz UNXVWMIDLOPCQS-XXMQVSLVSA-N -1 3 295.329 3.021 20 0 CGADHM C/C=C\C[C@@H]1CCCN(Cc2cc(C(=O)[O-])co2)C1 ZINC000625971728 350238803 /nfs/dbraw/zinc/23/88/03/350238803.db2.gz WYMWIYCRTXLHLB-ZZKXABKFSA-N -1 3 263.337 3.156 20 0 CGADHM CC(C)(C)c1ccc(NC(=O)/C=C/[C@H]2CCOC2)c([O-])c1 ZINC000493510780 535117252 /nfs/dbraw/zinc/11/72/52/535117252.db2.gz HOXORSJFGVYHEG-NTYUQYKDSA-N -1 3 289.375 3.221 20 0 CGADHM Cc1cccc([O-])c1C(=O)NC(C)(C)CC(F)(F)F ZINC000626589639 350321063 /nfs/dbraw/zinc/32/10/63/350321063.db2.gz LWSUZGNBERAQOV-UHFFFAOYSA-N -1 3 275.270 3.161 20 0 CGADHM CC[C@H](NC(=O)c1c(C)cccc1[O-])c1c(C)noc1C ZINC000626275825 350290907 /nfs/dbraw/zinc/29/09/07/350290907.db2.gz OXZIQMBLBLNJPM-LBPRGKRZSA-N -1 3 288.347 3.187 20 0 CGADHM Cc1cccc([O-])c1C(=O)N(C)Cc1ccccc1N(C)C ZINC000627324708 350356930 /nfs/dbraw/zinc/35/69/30/350356930.db2.gz KJPXUBCOIUTMJB-UHFFFAOYSA-N -1 3 298.386 3.039 20 0 CGADHM CCN(C(=O)c1c(C)cccc1[O-])[C@@H]1CCOC(C)(C)C1 ZINC000627355918 350358045 /nfs/dbraw/zinc/35/80/45/350358045.db2.gz TYXJQKVJQJAXLK-CYBMUJFWSA-N -1 3 291.391 3.120 20 0 CGADHM C/C(=C\c1ccccc1)CNC(C)(C)c1nc(C)cc(=O)[n-]1 ZINC000628374407 350518875 /nfs/dbraw/zinc/51/88/75/350518875.db2.gz IEDMWBYOIRIORP-JLHYYAGUSA-N -1 3 297.402 3.419 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2C[C@@H](C)C(F)(F)[C@@H](C)C2)c1 ZINC000628387084 350522412 /nfs/dbraw/zinc/52/24/12/350522412.db2.gz LLXPLLJLHRJAHV-PHIMTYICSA-N -1 3 283.318 3.064 20 0 CGADHM Cn1ncc2c1nc(S[C@H]1C=CCCCCC1)[n-]c2=O ZINC000629221587 350670379 /nfs/dbraw/zinc/67/03/79/350670379.db2.gz VCAMXALMNAJCAV-JTQLQIEISA-N -1 3 290.392 3.050 20 0 CGADHM C[C@@H]1CN([C@H](C(=O)[O-])c2ccsc2)C[C@@H](C)C1(F)F ZINC000629364897 350679177 /nfs/dbraw/zinc/67/91/77/350679177.db2.gz QZAZGQFIVLODIB-KKZNHRDASA-N -1 3 289.347 3.097 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)C1(C)CCC(F)(F)CC1 ZINC000630009031 350797011 /nfs/dbraw/zinc/79/70/11/350797011.db2.gz JMYUSKWSZCYSRQ-UHFFFAOYSA-N -1 3 299.365 3.418 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)C2=CCCCC2)c1-c1ccc(F)cc1 ZINC000630028389 350798724 /nfs/dbraw/zinc/79/87/24/350798724.db2.gz ULTXLOBXPMWJHV-UHFFFAOYSA-N -1 3 299.349 3.385 20 0 CGADHM C[C@H](CCNCc1c(F)ccc(F)c1Cl)CC(=O)[O-] ZINC000630451966 350842611 /nfs/dbraw/zinc/84/26/11/350842611.db2.gz KTBCRUZDOVEGRN-MRVPVSSYSA-N -1 3 291.725 3.209 20 0 CGADHM [O-]c1cccc(CN[C@@H](C2CCC2)[C@@H]2CCCO2)c1Cl ZINC000631256980 351009065 /nfs/dbraw/zinc/00/90/65/351009065.db2.gz YMQNSNDCUOKZDR-HOCLYGCPSA-N -1 3 295.810 3.483 20 0 CGADHM CC(C)(C)c1[nH]cnc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000632027752 351159442 /nfs/dbraw/zinc/15/94/42/351159442.db2.gz MLBZRARVYMHUIW-UHFFFAOYSA-N -1 3 293.754 3.319 20 0 CGADHM CC(C)(C)c1nc[nH]c1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000632027752 351159447 /nfs/dbraw/zinc/15/94/47/351159447.db2.gz MLBZRARVYMHUIW-UHFFFAOYSA-N -1 3 293.754 3.319 20 0 CGADHM CC(C)c1nn(C)cc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000336511441 213388118 /nfs/dbraw/zinc/38/81/18/213388118.db2.gz VBMOFWBCCNLAEN-UHFFFAOYSA-N -1 3 293.754 3.155 20 0 CGADHM CCCc1csc([N-]C(=O)c2snnc2C2CC2)n1 ZINC000291490086 198035635 /nfs/dbraw/zinc/03/56/35/198035635.db2.gz QYUJHIAQUOJALD-UHFFFAOYSA-N -1 3 294.405 3.077 20 0 CGADHM [O-]C(=NOCCC(F)(F)F)Nc1nc(C2CC2)cs1 ZINC000122450242 187032812 /nfs/dbraw/zinc/03/28/12/187032812.db2.gz ISBOJPYGXZKMOS-UHFFFAOYSA-N -1 3 295.286 3.026 20 0 CGADHM O=C([N-]OCCC(F)(F)F)Nc1nc(C2CC2)cs1 ZINC000122450242 187032813 /nfs/dbraw/zinc/03/28/13/187032813.db2.gz ISBOJPYGXZKMOS-UHFFFAOYSA-N -1 3 295.286 3.026 20 0 CGADHM CC[C@@H](C)[C@H](C)NC(=O)Cc1ccc([O-])cc1Cl ZINC000122947191 187061908 /nfs/dbraw/zinc/06/19/08/187061908.db2.gz QXWQOVYTDKDFRQ-ZJUUUORDSA-N -1 3 269.772 3.139 20 0 CGADHM CC(C)(C)n1cnc(C(=O)[N-]c2ccsc2Cl)n1 ZINC000291971070 198121463 /nfs/dbraw/zinc/12/14/63/198121463.db2.gz SQCSSTTXLUHHBJ-UHFFFAOYSA-N -1 3 284.772 3.000 20 0 CGADHM CCCOc1ccc(CCC(=O)[N-]OC/C=C/Cl)cc1 ZINC000291946020 198113674 /nfs/dbraw/zinc/11/36/74/198113674.db2.gz WFAZLGHKDKEQEH-XCVCLJGOSA-N -1 3 297.782 3.208 20 0 CGADHM CC(C)c1cc(C(=O)[N-]c2ncccc2Cl)on1 ZINC000271457765 191149408 /nfs/dbraw/zinc/14/94/08/191149408.db2.gz WJNJVXFCWMXCFG-UHFFFAOYSA-N -1 3 265.700 3.099 20 0 CGADHM C[C@H]1C(=O)CC[C@@H](C(=O)Nc2ccc([O-])cc2F)C1(C)C ZINC000336477596 213348912 /nfs/dbraw/zinc/34/89/12/213348912.db2.gz BEIMXJRSEHBVSY-ONGXEEELSA-N -1 3 293.338 3.111 20 0 CGADHM CCn1ncc2ccc(NC([O-])=NOC3CCCC3)cc21 ZINC000271636855 191252966 /nfs/dbraw/zinc/25/29/66/191252966.db2.gz ACPHHZQUYHGLNW-UHFFFAOYSA-N -1 3 288.351 3.052 20 0 CGADHM CCn1ncc2ccc(NC(=O)[N-]OC3CCCC3)cc21 ZINC000271636855 191252968 /nfs/dbraw/zinc/25/29/68/191252968.db2.gz ACPHHZQUYHGLNW-UHFFFAOYSA-N -1 3 288.351 3.052 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CCC[C@@H]2c2ccncc2)c1 ZINC000153979269 188115291 /nfs/dbraw/zinc/11/52/91/188115291.db2.gz XZDQLZSHCJZCGN-OAHLLOKOSA-N -1 3 282.343 3.073 20 0 CGADHM CC[C@@](C)(NC(=O)c1cccc(C)c1[O-])c1nccs1 ZINC000154158501 188126822 /nfs/dbraw/zinc/12/68/22/188126822.db2.gz QRBPTQKEGTZZCC-OAHLLOKOSA-N -1 3 290.388 3.212 20 0 CGADHM Fc1cccc2c1CC[C@H]2[N-]c1nnc(C(F)F)o1 ZINC000292468213 198299878 /nfs/dbraw/zinc/29/98/78/198299878.db2.gz KSAVDJUIEJMDKB-SECBINFHSA-N -1 3 269.226 3.246 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)Nc1cnc(Cl)c(C)c1 ZINC000292744966 198397702 /nfs/dbraw/zinc/39/77/02/198397702.db2.gz NKQCYSLPUYWKPU-MRVPVSSYSA-N -1 3 271.748 3.143 20 0 CGADHM CC(=O)c1cc(F)c([N-]C(=O)c2coc(C)c2)c(F)c1 ZINC000336429305 213290805 /nfs/dbraw/zinc/29/08/05/213290805.db2.gz TYJQAWZLUJLOOA-UHFFFAOYSA-N -1 3 279.242 3.321 20 0 CGADHM CCO[N-]C(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000171710555 188755019 /nfs/dbraw/zinc/75/50/19/188755019.db2.gz XMASWTAAWZSKOC-LSDHHAIUSA-N -1 3 255.317 3.011 20 0 CGADHM [O-]C(=NOC1CCCC1)Nc1ccccc1OCC1CC1 ZINC000271859807 191373715 /nfs/dbraw/zinc/37/37/15/191373715.db2.gz TUYXXVAFXXUCSQ-UHFFFAOYSA-N -1 3 290.363 3.471 20 0 CGADHM O=C([N-]OC1CCCC1)Nc1ccccc1OCC1CC1 ZINC000271859807 191373717 /nfs/dbraw/zinc/37/37/17/191373717.db2.gz TUYXXVAFXXUCSQ-UHFFFAOYSA-N -1 3 290.363 3.471 20 0 CGADHM CCC[C@@H]1CCCN(C(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC000336348973 213196739 /nfs/dbraw/zinc/19/67/39/213196739.db2.gz RMGACQQEFYBKBX-CYBMUJFWSA-N -1 3 298.386 3.180 20 0 CGADHM FC(F)(F)CCc1noc(-c2cc(-c3ccco3)[n-]n2)n1 ZINC000273727995 192282421 /nfs/dbraw/zinc/28/24/21/192282421.db2.gz OUNMEVZWNSRCPP-UHFFFAOYSA-N -1 3 298.224 3.215 20 0 CGADHM FC(F)(F)CCc1noc(-c2cc(-c3ccco3)n[n-]2)n1 ZINC000273727995 192282422 /nfs/dbraw/zinc/28/24/22/192282422.db2.gz OUNMEVZWNSRCPP-UHFFFAOYSA-N -1 3 298.224 3.215 20 0 CGADHM O=C(Nc1cccc([O-])c1F)[C@H]1CCCCCC(=O)C1 ZINC000336310073 213151688 /nfs/dbraw/zinc/15/16/88/213151688.db2.gz VRRITGFHEDMKPK-JTQLQIEISA-N -1 3 279.311 3.009 20 0 CGADHM Cc1ccc(F)c(CN[C@H](C)CCCCC(=O)[O-])c1 ZINC000426663961 236305523 /nfs/dbraw/zinc/30/55/23/236305523.db2.gz OQYIKMHUFTVCQG-GFCCVEGCSA-N -1 3 267.344 3.257 20 0 CGADHM C[C@H]1CCc2nc(CNCCCCCC(=O)[O-])sc2C1 ZINC000426673200 236306213 /nfs/dbraw/zinc/30/62/13/236306213.db2.gz WFGNKWXIFAWMCW-NSHDSACASA-N -1 3 296.436 3.003 20 0 CGADHM COc1cc(C(=O)N2CCC[C@H]2C2CCCC2)ccc1[O-] ZINC000272571186 138576444 /nfs/dbraw/zinc/57/64/44/138576444.db2.gz CFDMGLUEKCIUGZ-AWEZNQCLSA-N -1 3 289.375 3.196 20 0 CGADHM Cc1cccc([O-])c1NC(=O)c1cccc(N(C)C)c1 ZINC000336177591 212994928 /nfs/dbraw/zinc/99/49/28/212994928.db2.gz LQVJWZIDTVDHNW-UHFFFAOYSA-N -1 3 270.332 3.019 20 0 CGADHM [O-]c1cccc(/C=C/c2nc(CCC(F)(F)F)no2)c1 ZINC000435943676 237005888 /nfs/dbraw/zinc/00/58/88/237005888.db2.gz BIAUXVPJWRFTDP-SNAWJCMRSA-N -1 3 284.237 3.441 20 0 CGADHM O=C([O-])[C@]12CCC[C@H]1CN(Cc1ccc(Cl)cc1F)C2 ZINC000296829133 200008907 /nfs/dbraw/zinc/00/89/07/200008907.db2.gz JDYRJOKDHKICDD-NHYWBVRUSA-N -1 3 297.757 3.166 20 0 CGADHM Cc1cc([C@@H](C)NC(=O)c2c([O-])cccc2O)ccc1F ZINC000436645993 237148956 /nfs/dbraw/zinc/14/89/56/237148956.db2.gz FQAQPMXIYMLILR-SNVBAGLBSA-N -1 3 289.306 3.036 20 0 CGADHM Cc1cc(C(=O)N[C@H](C)c2ccc3n[nH]cc3c2)ccc1[O-] ZINC000436696410 237163504 /nfs/dbraw/zinc/16/35/04/237163504.db2.gz GXIJMVIKUGARJD-LLVKDONJSA-N -1 3 295.342 3.068 20 0 CGADHM COc1cccc2c1CC[C@H]2NC(=O)c1ccc([O-])c(C)c1 ZINC000436937343 237219165 /nfs/dbraw/zinc/21/91/65/237219165.db2.gz HUZDZTKTRDQDAT-OAHLLOKOSA-N -1 3 297.354 3.127 20 0 CGADHM Cc1cc(C(=O)Nc2ccccc2[O-])nn1[C@H](C)C1CC1 ZINC000436863747 237197142 /nfs/dbraw/zinc/19/71/42/237197142.db2.gz LJTFSVAEJLHBGS-LLVKDONJSA-N -1 3 285.347 3.120 20 0 CGADHM Cn1ccc(-c2noc(-c3ccc4c(c3[O-])CCCC4)n2)c1 ZINC000436882377 237199569 /nfs/dbraw/zinc/19/95/69/237199569.db2.gz RPGIEOMNOVHTLF-UHFFFAOYSA-N -1 3 295.342 3.327 20 0 CGADHM Cc1ccc([O-])c(C(=O)N[C@@H](C)c2c(F)cccc2F)c1 ZINC000436896201 237203868 /nfs/dbraw/zinc/20/38/68/237203868.db2.gz XNJHIYXPLNBNCY-JTQLQIEISA-N -1 3 291.297 3.470 20 0 CGADHM Cc1ccccc1CN(C(=O)c1ccc(O)cc1[O-])C1CC1 ZINC000436916827 237207116 /nfs/dbraw/zinc/20/71/16/237207116.db2.gz VKUKGRJRBRMYIM-UHFFFAOYSA-N -1 3 297.354 3.211 20 0 CGADHM Cc1cc(C(=O)NCCCSCC(C)C)ccc1[O-] ZINC000436904574 237207693 /nfs/dbraw/zinc/20/76/93/237207693.db2.gz XJUDVRLDIJQWTK-UHFFFAOYSA-N -1 3 281.421 3.210 20 0 CGADHM Cc1cc(O)ccc1-c1nc2cc(Cl)ccc2c(=O)[n-]1 ZINC000436919121 237209726 /nfs/dbraw/zinc/20/97/26/237209726.db2.gz BEYGIXUMXVWIHC-UHFFFAOYSA-N -1 3 286.718 3.258 20 0 CGADHM Cc1cccc(O[C@H](C)CNC(=O)c2ccc([O-])c(C)c2)c1 ZINC000436945781 237216304 /nfs/dbraw/zinc/21/63/04/237216304.db2.gz VIIPRDHOVFJYIN-CQSZACIVSA-N -1 3 299.370 3.206 20 0 CGADHM CC(C)CON=C([O-])Nc1cn(C)nc1C1CCCCC1 ZINC000297566619 200229528 /nfs/dbraw/zinc/22/95/28/200229528.db2.gz ZIJJYTBIAXPODM-UHFFFAOYSA-N -1 3 294.399 3.177 20 0 CGADHM CC(C)CO[N-]C(=O)Nc1cn(C)nc1C1CCCCC1 ZINC000297566619 200229530 /nfs/dbraw/zinc/22/95/30/200229530.db2.gz ZIJJYTBIAXPODM-UHFFFAOYSA-N -1 3 294.399 3.177 20 0 CGADHM CCOc1cc(CN2CCCO[C@H](C)C2)cc(Cl)c1[O-] ZINC000297652455 200253092 /nfs/dbraw/zinc/25/30/92/200253092.db2.gz JAIHCUAVJSRMSQ-LLVKDONJSA-N -1 3 299.798 3.055 20 0 CGADHM CCOc1cc(CN2CCO[C@@H](C)[C@@H]2C)cc(Cl)c1[O-] ZINC000297913665 200303608 /nfs/dbraw/zinc/30/36/08/200303608.db2.gz SMDDANGVKHDLDH-QWRGUYRKSA-N -1 3 299.798 3.054 20 0 CGADHM CC(C)(C)c1cc2c([n-]c([C@@H]3CCCO3)nc2=O)s1 ZINC000178985716 189159521 /nfs/dbraw/zinc/15/95/21/189159521.db2.gz LAAJAKQYKYPAPX-VIFPVBQESA-N -1 3 278.377 3.134 20 0 CGADHM CCC1(C(=O)N=c2cc(-c3ccccc3C)[n-][nH]2)CCC1 ZINC000342182327 216250632 /nfs/dbraw/zinc/25/06/32/216250632.db2.gz RSGGVNPFEQWYSG-UHFFFAOYSA-N -1 3 283.375 3.326 20 0 CGADHM CCCc1csc(NC([O-])=NOCc2ccccc2)n1 ZINC000180660372 189268699 /nfs/dbraw/zinc/26/86/99/189268699.db2.gz VVFYXHSILOXMNJ-UHFFFAOYSA-N -1 3 291.376 3.349 20 0 CGADHM CCCc1csc(NC(=O)[N-]OCc2ccccc2)n1 ZINC000180660372 189268700 /nfs/dbraw/zinc/26/87/00/189268700.db2.gz VVFYXHSILOXMNJ-UHFFFAOYSA-N -1 3 291.376 3.349 20 0 CGADHM O=C(NCc1ccccc1OCC1CC1)c1cccc([O-])c1 ZINC000182489112 189325628 /nfs/dbraw/zinc/32/56/28/189325628.db2.gz YFXIQTIHGSKRPY-UHFFFAOYSA-N -1 3 297.354 3.111 20 0 CGADHM CCO[C@H](CCNC(=O)c1cccc([O-])c1)C1CCCC1 ZINC000182548526 189327452 /nfs/dbraw/zinc/32/74/52/189327452.db2.gz JWQISTHTWMMAJJ-MRXNPFEDSA-N -1 3 291.391 3.107 20 0 CGADHM CCc1cc(=O)[n-]c(CN[C@H](C)c2cc3ccccc3o2)n1 ZINC000182627608 189329224 /nfs/dbraw/zinc/32/92/24/189329224.db2.gz UNEFPICCSXMFMQ-LLVKDONJSA-N -1 3 297.358 3.342 20 0 CGADHM CCO[N-]C(=O)Nc1cccc(SC(F)F)c1 ZINC000182973899 189340960 /nfs/dbraw/zinc/34/09/60/189340960.db2.gz QCUASRFJQLQQMB-UHFFFAOYSA-N -1 3 262.281 3.074 20 0 CGADHM CCO[N-]C(=O)Nc1ccc(N2CCCC2)c(Cl)c1 ZINC000182980571 189341014 /nfs/dbraw/zinc/34/10/14/189341014.db2.gz CVTAPHUYRLBRRO-UHFFFAOYSA-N -1 3 283.759 3.013 20 0 CGADHM COc1cccc(C(C)(C)CNC(=O)c2cccc([O-])c2)c1 ZINC000182886511 189338611 /nfs/dbraw/zinc/33/86/11/189338611.db2.gz JEGVNYLYKOFNHE-UHFFFAOYSA-N -1 3 299.370 3.108 20 0 CGADHM C[C@H]1[C@H](C(F)(F)F)CCCN1C(=O)c1ccccc1[O-] ZINC000336351831 291295160 /nfs/dbraw/zinc/29/51/60/291295160.db2.gz GPCYRATVHAHHOP-GXSJLCMTSA-N -1 3 287.281 3.195 20 0 CGADHM COC(=O)c1ccsc1[N-]C(=O)c1ccc(Cl)o1 ZINC000120549592 370779595 /nfs/dbraw/zinc/77/95/95/370779595.db2.gz VDTWGMFIOASLKB-UHFFFAOYSA-N -1 3 285.708 3.033 20 0 CGADHM [O-]c1ccc(F)c(CN[C@H]2COCc3ccccc32)c1F ZINC000335635035 212350391 /nfs/dbraw/zinc/35/03/91/212350391.db2.gz ILDFHYXIGSECIY-AWEZNQCLSA-N -1 3 291.297 3.032 20 0 CGADHM O=C(CCc1ccc2ccccc2c1[O-])N[C@H]1[C@@H]2CCC[C@@H]21 ZINC000451266608 240262552 /nfs/dbraw/zinc/26/25/52/240262552.db2.gz MUPZLQDSSAKIAJ-VQFNDLOPSA-N -1 3 295.382 3.393 20 0 CGADHM CCC1([N-]S(=O)(=O)c2ccc3ccccc3c2F)CC1 ZINC000451692589 240344397 /nfs/dbraw/zinc/34/43/97/240344397.db2.gz UWBLYGXIQGEMMS-UHFFFAOYSA-N -1 3 293.363 3.200 20 0 CGADHM C[C@H](c1noc(/C=C/c2cccc([O-])c2)n1)C1CC1 ZINC000275558107 193074481 /nfs/dbraw/zinc/07/44/81/193074481.db2.gz WDCRBLMSJPWVOU-YVFTVSHDSA-N -1 3 256.305 3.459 20 0 CGADHM CCc1cc(C(=O)NC23CCC(CC2)CC3)ccc1[O-] ZINC000456297280 241395010 /nfs/dbraw/zinc/39/50/10/241395010.db2.gz ZGBBQERXKIYFLF-UHFFFAOYSA-N -1 3 273.376 3.407 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2C[C@@H](C(C)C)[C@H]2C(C)C)c1 ZINC000456300515 241396328 /nfs/dbraw/zinc/39/63/28/241396328.db2.gz UDZVRZZQRQJMMZ-GOEBONIOSA-N -1 3 275.392 3.453 20 0 CGADHM C[C@H](c1cccs1)N(C)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459295306 242057655 /nfs/dbraw/zinc/05/76/55/242057655.db2.gz HRVCXKUTVBHHKW-SNVBAGLBSA-N -1 3 289.404 3.314 20 0 CGADHM Cc1ccc(CN(C)Cc2cc(=O)[n-]c(C3CC3)n2)s1 ZINC000459347295 242082356 /nfs/dbraw/zinc/08/23/56/242082356.db2.gz XYSYOKKZEMBFNU-UHFFFAOYSA-N -1 3 289.404 3.062 20 0 CGADHM O=c1cc(CN2CC[C@H]2c2ccccc2)nc(C2CC2)[n-]1 ZINC000459355500 242089107 /nfs/dbraw/zinc/08/91/07/242089107.db2.gz JVKZCOUMWCFMFI-HNNXBMFYSA-N -1 3 281.359 3.007 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)Sc2nnc(C3CC3)s2)n1 ZINC000121705197 370886849 /nfs/dbraw/zinc/88/68/49/370886849.db2.gz HPQAGHUFIFKWEQ-ZETCQYMHSA-N -1 3 294.405 3.073 20 0 CGADHM Cc1ccccc1-c1cc(=NC(=O)[C@@H]2C[C@@H]2C(C)C)[nH][n-]1 ZINC000477621355 243050677 /nfs/dbraw/zinc/05/06/77/243050677.db2.gz YWRNUVOYUNQTPK-ZIAGYGMSSA-N -1 3 283.375 3.038 20 0 CGADHM CC[C@]1(C)Oc2ccc(NC(=O)[N-]OCC(C)C)cc2O1 ZINC000276004616 193186308 /nfs/dbraw/zinc/18/63/08/193186308.db2.gz ALNVQEQZINGQLK-OAHLLOKOSA-N -1 3 294.351 3.293 20 0 CGADHM Cc1ccc(CCC(=O)Nc2ccccc2[O-])cc1 ZINC000014704300 368684236 /nfs/dbraw/zinc/68/42/36/368684236.db2.gz SSRNUUVGEJPXRG-UHFFFAOYSA-N -1 3 255.317 3.272 20 0 CGADHM CCc1ccc(NC(=O)c2cccc(OC)c2[O-])cc1 ZINC000019839970 368771334 /nfs/dbraw/zinc/77/13/34/368771334.db2.gz RTNMBIHPNUYISC-UHFFFAOYSA-N -1 3 271.316 3.216 20 0 CGADHM CCCCN(CCCC)C(=O)c1ccc2n[n-]nc2c1 ZINC000029497841 368897211 /nfs/dbraw/zinc/89/72/11/368897211.db2.gz NAIMTRQRTDQYEA-UHFFFAOYSA-N -1 3 274.368 3.000 20 0 CGADHM Cc1ccccc1[C@@H]1CCCN1C(=O)c1ccc(O)cc1[O-] ZINC000034777350 368978553 /nfs/dbraw/zinc/97/85/53/368978553.db2.gz TWODFUZHWYZBHZ-INIZCTEOSA-N -1 3 297.354 3.384 20 0 CGADHM O=C([O-])[C@H](NCc1cccs1)c1cccc(Cl)c1 ZINC000037966591 369127259 /nfs/dbraw/zinc/12/72/59/369127259.db2.gz IJGNAWSBNSVDEQ-GFCCVEGCSA-N -1 3 281.764 3.317 20 0 CGADHM O=C(/C=C\Sc1ccccc1)[N-]OC/C=C/Cl ZINC000493125843 244102306 /nfs/dbraw/zinc/10/23/06/244102306.db2.gz GZGWOQJPOJDDNC-BLQYPLODSA-N -1 3 269.753 3.093 20 0 CGADHM O=C(/C=C/c1ccc(C(F)(F)F)cc1)[N-]OC1CCC1 ZINC000493528378 244180869 /nfs/dbraw/zinc/18/08/69/244180869.db2.gz SLNCJBRMRAJVRS-RMKNXTFCSA-N -1 3 285.265 3.319 20 0 CGADHM CCc1c(C)sc2[n-]c(-c3ccco3)nc(=O)c12 ZINC000047681928 369324971 /nfs/dbraw/zinc/32/49/71/369324971.db2.gz PNDLHWCVIKMWAQ-UHFFFAOYSA-N -1 3 260.318 3.115 20 0 CGADHM Cn1ccc2cccc(NC([O-])=NOC3CCCC3)c21 ZINC000276555289 193379294 /nfs/dbraw/zinc/37/92/94/193379294.db2.gz YZSLFTXFDQORRP-UHFFFAOYSA-N -1 3 273.336 3.174 20 0 CGADHM Cn1ccc2cccc(NC(=O)[N-]OC3CCCC3)c21 ZINC000276555289 193379295 /nfs/dbraw/zinc/37/92/95/193379295.db2.gz YZSLFTXFDQORRP-UHFFFAOYSA-N -1 3 273.336 3.174 20 0 CGADHM Cc1nc(C)c(C(=O)Nc2cc(Cl)ccc2[O-])s1 ZINC000103520830 370331838 /nfs/dbraw/zinc/33/18/38/370331838.db2.gz VTNZGDQNVIYQSO-UHFFFAOYSA-N -1 3 282.752 3.371 20 0 CGADHM Cc1cccc(-c2nc(-c3ccsc3)no2)c1[O-] ZINC000104411246 370345365 /nfs/dbraw/zinc/34/53/65/370345365.db2.gz PUMLDBXDQHBUMO-UHFFFAOYSA-N -1 3 258.302 3.479 20 0 CGADHM CCN(C(=O)c1ccccc1[O-])[C@@H](C)c1cccnc1 ZINC000115230120 370526696 /nfs/dbraw/zinc/52/66/96/370526696.db2.gz OTRMELUBSSRHHY-LBPRGKRZSA-N -1 3 270.332 3.011 20 0 CGADHM NC1(c2noc(-c3cc(Cl)ccc3[O-])n2)CCCCC1 ZINC000331649140 204042231 /nfs/dbraw/zinc/04/22/31/204042231.db2.gz KTNGSVRTUWKBOT-UHFFFAOYSA-N -1 3 293.754 3.214 20 0 CGADHM Cc1ccc(/C=C/C(=O)[N-]OCC(F)(F)F)cc1Cl ZINC000135220142 371402836 /nfs/dbraw/zinc/40/28/36/371402836.db2.gz YQRPBATUWXNLJC-SNAWJCMRSA-N -1 3 293.672 3.272 20 0 CGADHM COc1cccc(NC(=O)Cc2ccc([O-])cc2Cl)c1 ZINC000136051170 371458803 /nfs/dbraw/zinc/45/88/03/371458803.db2.gz SISCVOZLSZHHRM-UHFFFAOYSA-N -1 3 291.734 3.235 20 0 CGADHM CC1(C)CCCC[C@@H]1NC(=O)c1c[n-]c2ccccc2c1=O ZINC000137806335 371500846 /nfs/dbraw/zinc/50/08/46/371500846.db2.gz VUYYSNILCQJRLB-HNNXBMFYSA-N -1 3 298.386 3.227 20 0 CGADHM CC[C@H]1CCN(C(=O)c2c[n-]c3ccc(C)cc3c2=O)C1 ZINC000287510294 371667876 /nfs/dbraw/zinc/66/78/76/371667876.db2.gz UXEKCIVRMINDAG-LBPRGKRZSA-N -1 3 284.359 3.121 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])[C@]12C[C@H]1CCC2 ZINC000421785926 371632288 /nfs/dbraw/zinc/63/22/88/371632288.db2.gz OSEQJDWNYYRXNY-AMIZOPFISA-N -1 3 251.713 3.174 20 0 CGADHM C[C@H](Cc1ccccc1Cl)C(=O)[N-]O[C@H]1CCCCO1 ZINC000151755624 371633259 /nfs/dbraw/zinc/63/32/59/371633259.db2.gz HJYHYSKVHROKKL-RISCZKNCSA-N -1 3 297.782 3.093 20 0 CGADHM CCn1nc(C)c([C@H](C)NCc2ccc([O-])c(F)c2)c1C ZINC000153457394 371769761 /nfs/dbraw/zinc/76/97/61/371769761.db2.gz VYYYWHVBJADQDN-JTQLQIEISA-N -1 3 291.370 3.215 20 0 CGADHM Cc1cccc2c(=O)c(C(=O)N3C[C@@H](C)C[C@H](C)C3)c[n-]c12 ZINC000154918822 371890463 /nfs/dbraw/zinc/89/04/63/371890463.db2.gz OZENTHHWFRDTCP-RYUDHWBXSA-N -1 3 298.386 3.367 20 0 CGADHM CC(C)c1cc(C(=O)[N-]c2cc(F)c(F)cc2F)no1 ZINC000156439711 371978296 /nfs/dbraw/zinc/97/82/96/371978296.db2.gz IBROVYWKIVTVJR-UHFFFAOYSA-N -1 3 284.237 3.468 20 0 CGADHM CC[C@](C)(OC)c1noc(-c2ccc(C)c(C)c2[O-])n1 ZINC000290407939 371982445 /nfs/dbraw/zinc/98/24/45/371982445.db2.gz ILRBDTUFQXCXBA-HNNXBMFYSA-N -1 3 276.336 3.331 20 0 CGADHM C[C@H]1CCC[C@@H](CNC(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000157575372 372027330 /nfs/dbraw/zinc/02/73/30/372027330.db2.gz JZTFOHCPEGGVMQ-NWDGAFQWSA-N -1 3 294.370 3.157 20 0 CGADHM Cc1ccc2c(c1)C(=O)N(C)[C@@H](c1ccc([O-])c(F)c1)N2 ZINC000159196924 372115712 /nfs/dbraw/zinc/11/57/12/372115712.db2.gz GDYDSLIRUUQIPQ-HNNXBMFYSA-N -1 3 286.306 3.036 20 0 CGADHM CCCC[C@@H](C)N(C)C(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000291201530 372136927 /nfs/dbraw/zinc/13/69/27/372136927.db2.gz JRJFQSZPZCJETE-LLVKDONJSA-N -1 3 295.379 3.060 20 0 CGADHM Cc1cccc(-c2nc(CCC3CCOCC3)no2)c1[O-] ZINC000293164534 372316357 /nfs/dbraw/zinc/31/63/57/372316357.db2.gz MBTSRAOCMMOQFB-UHFFFAOYSA-N -1 3 288.347 3.110 20 0 CGADHM C[C@@H](NCc1cccc([O-])c1Cl)[C@@H]1CCCCO1 ZINC000293323241 372355862 /nfs/dbraw/zinc/35/58/62/372355862.db2.gz RCSRAYUDXLAQKI-MFKMUULPSA-N -1 3 269.772 3.093 20 0 CGADHM CC1(C)C[C@@H](NCc2cccc([O-])c2Cl)CCO1 ZINC000293405519 372376906 /nfs/dbraw/zinc/37/69/06/372376906.db2.gz YMWOFZITUFMHKP-NSHDSACASA-N -1 3 269.772 3.093 20 0 CGADHM CCc1nc(CCNCc2cccc([O-])c2Cl)cs1 ZINC000293498418 372396450 /nfs/dbraw/zinc/39/64/50/372396450.db2.gz HCGJOBMNJWALGP-UHFFFAOYSA-N -1 3 296.823 3.397 20 0 CGADHM CCCC(C)(C)CC(=O)N=c1cc(-c2cccnc2)[n-][nH]1 ZINC000429434298 372365574 /nfs/dbraw/zinc/36/55/74/372365574.db2.gz ZTOZUQCRAMEGEJ-UHFFFAOYSA-N -1 3 286.379 3.049 20 0 CGADHM C[C@]1(CNCc2cccc([O-])c2Cl)CCCS1 ZINC000293599910 372422075 /nfs/dbraw/zinc/42/20/75/372422075.db2.gz OXHRUTVPKVYBGX-CYBMUJFWSA-N -1 3 271.813 3.421 20 0 CGADHM CC(C)(CC(=O)[N-]OCC1CC1)CC(=O)c1ccccc1 ZINC000293787126 372481644 /nfs/dbraw/zinc/48/16/44/372481644.db2.gz OGZYHBHCLXXOHQ-UHFFFAOYSA-N -1 3 289.375 3.134 20 0 CGADHM [O-]c1cccc(CNCCCC(F)(F)F)c1Cl ZINC000293704303 372455978 /nfs/dbraw/zinc/45/59/78/372455978.db2.gz XICAEJQFGFIQGA-UHFFFAOYSA-N -1 3 267.678 3.478 20 0 CGADHM CC(C)C[C@@H]1C[C@H](NCc2c(F)ccc([O-])c2F)CCO1 ZINC000293758966 372471526 /nfs/dbraw/zinc/47/15/26/372471526.db2.gz YVCCYYVLFKBWIL-VXGBXAGGSA-N -1 3 299.361 3.354 20 0 CGADHM CC(C)[C@@H]1CCCCN1C(=O)NCc1ccc([O-])c(F)c1 ZINC000163657692 372486859 /nfs/dbraw/zinc/48/68/59/372486859.db2.gz KMXSOPUIQGXAHX-AWEZNQCLSA-N -1 3 294.370 3.251 20 0 CGADHM Cc1cc(C(=O)N(C)Cc2cc(F)cc(F)c2)ccc1[O-] ZINC000434346944 372671305 /nfs/dbraw/zinc/67/13/05/372671305.db2.gz POMTYWZUHROICN-UHFFFAOYSA-N -1 3 291.297 3.251 20 0 CGADHM CC(C)O[N-]C(=O)CC(C)(C)CC(=O)c1ccccc1 ZINC000295468385 372793054 /nfs/dbraw/zinc/79/30/54/372793054.db2.gz CTULJCWVCVSKJD-UHFFFAOYSA-N -1 3 277.364 3.132 20 0 CGADHM CC(C)O[N-]C(=O)c1c(F)cc(C(F)(F)F)cc1F ZINC000295528135 372815380 /nfs/dbraw/zinc/81/53/80/372815380.db2.gz JGKYVLGCMLMTSR-UHFFFAOYSA-N -1 3 283.196 3.053 20 0 CGADHM CCO[N-]C(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000171742640 372819912 /nfs/dbraw/zinc/81/99/12/372819912.db2.gz GBAOCXZYCNRPES-UWVGGRQHSA-N -1 3 274.147 3.165 20 0 CGADHM O=C(Nc1ncccc1[O-])c1ccc(-c2ccccc2)[nH]1 ZINC000171859938 372842285 /nfs/dbraw/zinc/84/22/85/372842285.db2.gz KRBYHEGYNCADAW-UHFFFAOYSA-N -1 3 279.299 3.035 20 0 CGADHM CC(C)(C)Sc1ccc(NC(=O)c2nc[n-]n2)cc1F ZINC000295616691 372848430 /nfs/dbraw/zinc/84/84/30/372848430.db2.gz VEJJDKJITFKMGI-UHFFFAOYSA-N -1 3 294.355 3.087 20 0 CGADHM O=C(CCCC1CCCC1)Nc1nnc(-c2ccco2)[n-]1 ZINC000173039438 373081070 /nfs/dbraw/zinc/08/10/70/373081070.db2.gz FDOVONDYGLSLTI-UHFFFAOYSA-N -1 3 288.351 3.364 20 0 CGADHM O=C(CCCC1CCCC1)Nc1nc(-c2ccco2)n[n-]1 ZINC000173039438 373081073 /nfs/dbraw/zinc/08/10/73/373081073.db2.gz FDOVONDYGLSLTI-UHFFFAOYSA-N -1 3 288.351 3.364 20 0 CGADHM O=C(CCCC1CCCC1)Nc1n[n-]c(-c2ccco2)n1 ZINC000173039438 373081077 /nfs/dbraw/zinc/08/10/77/373081077.db2.gz FDOVONDYGLSLTI-UHFFFAOYSA-N -1 3 288.351 3.364 20 0 CGADHM Cc1ccc(C(=O)N2[C@H](C)C[C@H]3CCCC[C@@H]32)c([O-])c1 ZINC000173051910 373083969 /nfs/dbraw/zinc/08/39/69/373083969.db2.gz HBIXRTYYHZSHKM-NFAWXSAZSA-N -1 3 273.376 3.494 20 0 CGADHM Cc1noc(C)c1C(=O)[N-]c1cc(-c2ccccc2)on1 ZINC000173069906 373086867 /nfs/dbraw/zinc/08/68/67/373086867.db2.gz JSOZAXLVPKCXPL-UHFFFAOYSA-N -1 3 283.287 3.199 20 0 CGADHM Cc1ccc(NC([O-])=NOC(C)C)cc1C(F)(F)F ZINC000296381740 373113694 /nfs/dbraw/zinc/11/36/94/373113694.db2.gz PDDKCHJRSRVDRC-UHFFFAOYSA-N -1 3 276.258 3.475 20 0 CGADHM Cc1ccc(NC(=O)[N-]OC(C)C)cc1C(F)(F)F ZINC000296381740 373113700 /nfs/dbraw/zinc/11/37/00/373113700.db2.gz PDDKCHJRSRVDRC-UHFFFAOYSA-N -1 3 276.258 3.475 20 0 CGADHM COc1cc(C(=O)NCC[C@H]2CCC[C@H](C)C2)ccc1[O-] ZINC000442976804 373138501 /nfs/dbraw/zinc/13/85/01/373138501.db2.gz ULJOZLSADYMHRB-QWHCGFSZSA-N -1 3 291.391 3.347 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CCC[C@@H](C(C)C)C2)c1 ZINC000444524121 373196898 /nfs/dbraw/zinc/19/68/98/373196898.db2.gz FJRBJRVURMHBFQ-CYBMUJFWSA-N -1 3 261.365 3.209 20 0 CGADHM Cc1c([N-]C(=O)COC(F)F)onc1C1CCCCC1 ZINC000410872535 291569051 /nfs/dbraw/zinc/56/90/51/291569051.db2.gz AEJSTLRDIUDQRN-UHFFFAOYSA-N -1 3 288.294 3.208 20 0 CGADHM O=C(c1ccc(O)cc1[O-])N1CCC[C@@]2(CC=CCC2)C1 ZINC000175209606 373430816 /nfs/dbraw/zinc/43/08/16/373430816.db2.gz ZTVDBWDUIDFTPY-KRWDZBQOSA-N -1 3 287.359 3.060 20 0 CGADHM Cc1ccc(/C=C/CC(=O)Nc2nc(C)ccc2[O-])cc1 ZINC000447633597 373468482 /nfs/dbraw/zinc/46/84/82/373468482.db2.gz CIRFDNQYOZGIEP-ONEGZZNKSA-N -1 3 282.343 3.446 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CCS[C@H]3CCCC[C@H]32)c1 ZINC000175431994 373469324 /nfs/dbraw/zinc/46/93/24/373469324.db2.gz AQEVGDYCTCXZGW-HIFRSBDPSA-N -1 3 291.416 3.201 20 0 CGADHM Cc1occc1C(=O)N=c1cc(-c2ccccc2F)o[n-]1 ZINC000448489830 373580151 /nfs/dbraw/zinc/58/01/51/373580151.db2.gz JNAIIKXIQXASIN-UHFFFAOYSA-N -1 3 286.262 3.056 20 0 CGADHM CCN(C[C@@H]1CCCO1)C(=O)c1ccc(C(C)C)cc1[O-] ZINC000299459941 373548082 /nfs/dbraw/zinc/54/80/82/373548082.db2.gz VFFNYNGSVVXGEW-AWEZNQCLSA-N -1 3 291.391 3.157 20 0 CGADHM C[C@H]1CCN(Cc2cccc(Cl)c2F)[C@H](C(=O)[O-])C1 ZINC000299932237 373615717 /nfs/dbraw/zinc/61/57/17/373615717.db2.gz QLIMHXCNDPPOLQ-CABZTGNLSA-N -1 3 285.746 3.164 20 0 CGADHM Clc1cccc(-c2noc([N-]Cc3ccccn3)n2)c1 ZINC000301191760 373686982 /nfs/dbraw/zinc/68/69/82/373686982.db2.gz MOBJWHOJAAYSLA-UHFFFAOYSA-N -1 3 286.722 3.397 20 0 CGADHM CC(C)[C@H]1C[C@@H](CNCc2c(F)ccc([O-])c2F)CCO1 ZINC000449495026 373790190 /nfs/dbraw/zinc/79/01/90/373790190.db2.gz NUGSYMPLJYRCSQ-XHDPSFHLSA-N -1 3 299.361 3.211 20 0 CGADHM O=C(COCc1ccccc1)Nc1ccc(Cl)cc1[O-] ZINC000179191905 373845060 /nfs/dbraw/zinc/84/50/60/373845060.db2.gz HHQYBRPDUGJLMG-UHFFFAOYSA-N -1 3 291.734 3.201 20 0 CGADHM C[C@@H]1CCCC[C@H]1CCNC(=O)Cc1ccc([O-])c(F)c1 ZINC000449863842 373949689 /nfs/dbraw/zinc/94/96/89/373949689.db2.gz JRBNFQAPLJFNGW-OCCSQVGLSA-N -1 3 293.382 3.406 20 0 CGADHM Cc1c([C@H](C)[N-]c2nc(-c3ccc(C)cc3)no2)cnn1C ZINC000180224140 373978484 /nfs/dbraw/zinc/97/84/84/373978484.db2.gz DCMRCRANDGOLFO-NSHDSACASA-N -1 3 297.362 3.260 20 0 CGADHM CC(=O)c1[n-]c(=NC2CCC(F)(F)CC2)sc1C ZINC000450407985 374108502 /nfs/dbraw/zinc/10/85/02/374108502.db2.gz IOLHGHVXDNNCRK-UHFFFAOYSA-N -1 3 274.336 3.066 20 0 CGADHM O=C(NC[C@@H]1CCCc2ccccc21)c1cccc([O-])c1 ZINC000181846129 374181497 /nfs/dbraw/zinc/18/14/97/374181497.db2.gz LHVHGTFFQNCYFA-HNNXBMFYSA-N -1 3 281.355 3.242 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CC[C@H](CC(C)C)C2)c1 ZINC000307777208 374153232 /nfs/dbraw/zinc/15/32/32/374153232.db2.gz PXGMUOVBLHLLMC-CYBMUJFWSA-N -1 3 261.365 3.209 20 0 CGADHM CCOc1ccccc1CN(C)C(=O)c1cccc([O-])c1 ZINC000182139918 374224583 /nfs/dbraw/zinc/22/45/83/374224583.db2.gz NFUQKWVCDDSSIU-UHFFFAOYSA-N -1 3 285.343 3.063 20 0 CGADHM O=C([O-])[C@@H]1C=C[C@@H](NCc2ccc(Cl)cc2Cl)C1 ZINC000310859156 374227907 /nfs/dbraw/zinc/22/79/07/374227907.db2.gz NOYDYKFMZYQMBZ-LDYMZIIASA-N -1 3 286.158 3.112 20 0 CGADHM Cc1[nH]c2ccc(C(=O)N=c3[n-]oc(C)c3C)cc2c1C ZINC000452151326 374252867 /nfs/dbraw/zinc/25/28/67/374252867.db2.gz KLIRLFOKNNFQDC-UHFFFAOYSA-N -1 3 283.331 3.064 20 0 CGADHM Cc1[nH]c2ccccc2c1CCNC(=O)c1cccc([O-])c1 ZINC000182304724 374254452 /nfs/dbraw/zinc/25/44/52/374254452.db2.gz FEVZSNAJPPCRFN-UHFFFAOYSA-N -1 3 294.354 3.154 20 0 CGADHM C[C@H](NCC1CCCCC1)c1ncc(C(=O)[O-])s1 ZINC000315338576 374328737 /nfs/dbraw/zinc/32/87/37/374328737.db2.gz NWOZCHQNMMGNPZ-VIFPVBQESA-N -1 3 268.382 3.072 20 0 CGADHM Cc1cccc([O-])c1NC(=O)c1ccc2c(c1)OCCCO2 ZINC000183048858 374364176 /nfs/dbraw/zinc/36/41/76/374364176.db2.gz PYNPBENRRCODTN-UHFFFAOYSA-N -1 3 299.326 3.114 20 0 CGADHM CC(C)c1cc(C(=O)[N-]c2ncc(Cl)s2)on1 ZINC000081738487 541926667 /nfs/dbraw/zinc/92/66/67/541926667.db2.gz FJGVTNFAPSUILR-UHFFFAOYSA-N -1 3 271.729 3.160 20 0 CGADHM Cc1ccc2oc(C(=O)Nc3c(C)cccc3[O-])cc2n1 ZINC000183076547 374367514 /nfs/dbraw/zinc/36/75/14/374367514.db2.gz PTBOJHDRAYHFMW-UHFFFAOYSA-N -1 3 282.299 3.403 20 0 CGADHM Cc1ccc(CCC(=O)Nc2ccc([O-])cc2F)o1 ZINC000183246898 374391598 /nfs/dbraw/zinc/39/15/98/374391598.db2.gz WEBNDEZBXKIADY-UHFFFAOYSA-N -1 3 263.268 3.004 20 0 CGADHM Cc1cc(Cl)ccc1NC(=O)c1cccc2nn[n-]c21 ZINC000183327543 374401296 /nfs/dbraw/zinc/40/12/96/374401296.db2.gz BVPDXTRJWQBLGT-UHFFFAOYSA-N -1 3 286.722 3.172 20 0 CGADHM Cc1cc(Cl)ccc1NC(=O)c1cccc2[n-]nnc21 ZINC000183327543 374401304 /nfs/dbraw/zinc/40/13/04/374401304.db2.gz BVPDXTRJWQBLGT-UHFFFAOYSA-N -1 3 286.722 3.172 20 0 CGADHM Cc1cc(Cl)ccc1NC(=O)c1cccc2n[n-]nc21 ZINC000183327543 374401312 /nfs/dbraw/zinc/40/13/12/374401312.db2.gz BVPDXTRJWQBLGT-UHFFFAOYSA-N -1 3 286.722 3.172 20 0 CGADHM CCN(C(=O)c1cccc2nn[n-]c21)c1cc(C)cc(C)c1 ZINC000183461820 374416472 /nfs/dbraw/zinc/41/64/72/374416472.db2.gz ZXDXEGCVEMVHJG-UHFFFAOYSA-N -1 3 294.358 3.241 20 0 CGADHM CCN(C(=O)c1cccc2[n-]nnc21)c1cc(C)cc(C)c1 ZINC000183461820 374416478 /nfs/dbraw/zinc/41/64/78/374416478.db2.gz ZXDXEGCVEMVHJG-UHFFFAOYSA-N -1 3 294.358 3.241 20 0 CGADHM CCN(C(=O)c1cccc2n[n-]nc21)c1cc(C)cc(C)c1 ZINC000183461820 374416484 /nfs/dbraw/zinc/41/64/84/374416484.db2.gz ZXDXEGCVEMVHJG-UHFFFAOYSA-N -1 3 294.358 3.241 20 0 CGADHM Cc1ccccc1CC1CN(C(=O)c2cccc(C)c2[O-])C1 ZINC000085652340 541937458 /nfs/dbraw/zinc/93/74/58/541937458.db2.gz OZBKNKBPLNYBSE-UHFFFAOYSA-N -1 3 295.382 3.324 20 0 CGADHM C[C@H](c1ccc(F)cc1)N1CCC(C)(C(=O)[O-])CC1 ZINC000086777015 541940473 /nfs/dbraw/zinc/94/04/73/541940473.db2.gz OYBDIBZTODBKQN-LLVKDONJSA-N -1 3 265.328 3.073 20 0 CGADHM CC(C)Oc1cccc(CN2CCC(C)(C(=O)[O-])CC2)c1 ZINC000086776689 541940549 /nfs/dbraw/zinc/94/05/49/541940549.db2.gz KBDMMUMCOJXAJT-UHFFFAOYSA-N -1 3 291.391 3.161 20 0 CGADHM C[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000330414506 374460421 /nfs/dbraw/zinc/46/04/21/374460421.db2.gz TXLOSBFIHLQARA-JQWIXIFHSA-N -1 3 277.364 3.053 20 0 CGADHM C[C@H]1OCC[C@H]1C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000330414508 374460528 /nfs/dbraw/zinc/46/05/28/374460528.db2.gz TXLOSBFIHLQARA-ZYHUDNBSSA-N -1 3 277.364 3.053 20 0 CGADHM C[C@H](c1ccc(F)c(F)c1)S(=O)(=O)c1cccc([O-])c1 ZINC000183990022 374480204 /nfs/dbraw/zinc/48/02/04/374480204.db2.gz DRJWQOOXIDJEOE-SECBINFHSA-N -1 3 298.310 3.205 20 0 CGADHM O=S(=O)(CCc1ccccc1Cl)c1cccc([O-])c1 ZINC000183976528 374480247 /nfs/dbraw/zinc/48/02/47/374480247.db2.gz VJTNRGSQLSKCKY-UHFFFAOYSA-N -1 3 296.775 3.062 20 0 CGADHM CC(C)(C)c1nc(C[S@](=O)c2cccc([O-])c2)cs1 ZINC000184055994 374488024 /nfs/dbraw/zinc/48/80/24/374488024.db2.gz VNRJMLCSSQGLGK-IBGZPJMESA-N -1 3 295.429 3.454 20 0 CGADHM COc1ccc([O-])c(C(=O)Nc2scnc2C(C)C)c1 ZINC000456465317 374549446 /nfs/dbraw/zinc/54/94/46/374549446.db2.gz ZACALMRXDHWMHT-UHFFFAOYSA-N -1 3 292.360 3.233 20 0 CGADHM CC[C@@H](NC(=O)Cc1ccc([O-])c(F)c1)C1CCCC1 ZINC000456661449 374595374 /nfs/dbraw/zinc/59/53/74/374595374.db2.gz OLOKNBVVXFPYSL-CQSZACIVSA-N -1 3 279.355 3.159 20 0 CGADHM CC[C@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)C1CCCC1 ZINC000456676415 374598561 /nfs/dbraw/zinc/59/85/61/374598561.db2.gz BMEMPMIJFIXCLN-AWEZNQCLSA-N -1 3 298.386 3.227 20 0 CGADHM CCOCc1ccc(CNCc2cc([O-])cc(F)c2)cc1 ZINC000185463755 374667786 /nfs/dbraw/zinc/66/77/86/374667786.db2.gz SKHAYKBPJPMWBV-UHFFFAOYSA-N -1 3 289.350 3.358 20 0 CGADHM CCCN(C(=O)c1ccc2c(c1[O-])CCCC2)C1CC1 ZINC000185882722 374760081 /nfs/dbraw/zinc/76/00/81/374760081.db2.gz IAAOWKBAPFMJCC-UHFFFAOYSA-N -1 3 273.376 3.286 20 0 CGADHM C[C@H]1CC[C@@H](C(N)=O)CN1Cc1cccc([O-])c1Cl ZINC000334411936 374729378 /nfs/dbraw/zinc/72/93/78/374729378.db2.gz UUKGISSTHZJJNZ-GXSJLCMTSA-N -1 3 282.771 3.181 20 0 CGADHM O=C(c1ccc2c(c1[O-])CCCC2)N(CC(F)F)C1CC1 ZINC000186166877 374806234 /nfs/dbraw/zinc/80/62/34/374806234.db2.gz YELDCHNVLUGVIH-UHFFFAOYSA-N -1 3 295.329 3.141 20 0 CGADHM [O-]c1cc(F)cc(CN2CCC[C@@H]2c2ccco2)c1 ZINC000186223387 374816472 /nfs/dbraw/zinc/81/64/72/374816472.db2.gz UVJGLOBEARRQAA-CQSZACIVSA-N -1 3 261.296 3.461 20 0 CGADHM CS[C@@H](C)CC(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000186262722 374822859 /nfs/dbraw/zinc/82/28/59/374822859.db2.gz UQGYABWSMRJEHZ-QWRGUYRKSA-N -1 3 279.405 3.374 20 0 CGADHM CO[C@@H](C)CCC(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000186298068 374827900 /nfs/dbraw/zinc/82/79/00/374827900.db2.gz BWWSGISTQNBTIY-NEPJUHHUSA-N -1 3 277.364 3.048 20 0 CGADHM CC(=O)c1cc(C(=O)Nc2cc(F)ccc2[O-])cs1 ZINC000334456357 374765447 /nfs/dbraw/zinc/76/54/47/374765447.db2.gz HFPRIGHQVDERHS-UHFFFAOYSA-N -1 3 279.292 3.048 20 0 CGADHM CCC[C@@H](NC(=O)c1ccc([O-])c(OC)c1)C1CCCC1 ZINC000458345235 374774671 /nfs/dbraw/zinc/77/46/71/374774671.db2.gz QYGFWHACAFTSCZ-CQSZACIVSA-N -1 3 291.391 3.490 20 0 CGADHM O=C(NCc1cc(F)cc(F)c1)c1cc([O-])ccc1Cl ZINC000334492778 374792485 /nfs/dbraw/zinc/79/24/85/374792485.db2.gz RKJSBPNABNXVNM-UHFFFAOYSA-N -1 3 297.688 3.254 20 0 CGADHM COCCC1(CNC(=O)c2cccc([O-])c2)CCCCC1 ZINC000187485085 375028842 /nfs/dbraw/zinc/02/88/42/375028842.db2.gz UDXQLMJEURDUSF-UHFFFAOYSA-N -1 3 291.391 3.109 20 0 CGADHM CCc1cc(C(=O)Nc2ccc(F)c(OC)c2)ccc1[O-] ZINC000487378288 375233485 /nfs/dbraw/zinc/23/34/85/375233485.db2.gz MQIBKNYWQVDKGA-UHFFFAOYSA-N -1 3 289.306 3.355 20 0 CGADHM CN(C(=O)c1cc2cc(Cl)sc2[n-]1)c1nncs1 ZINC000487128445 375201202 /nfs/dbraw/zinc/20/12/02/375201202.db2.gz NAHCPSRWWRCKBV-UHFFFAOYSA-N -1 3 298.780 3.011 20 0 CGADHM [O-]c1ccc(F)c(CN2CCC[C@H]2[C@@H]2CCCOC2)c1F ZINC000335423473 375281884 /nfs/dbraw/zinc/28/18/84/375281884.db2.gz KLVZFINYECHJQT-RISCZKNCSA-N -1 3 297.345 3.061 20 0 CGADHM Cc1cc(Cl)cc(CN2CC[C@@H](C)[C@H](C(=O)[O-])C2)c1 ZINC000335442085 375297305 /nfs/dbraw/zinc/29/73/05/375297305.db2.gz HVMSBWZYFBNSCD-BXUZGUMPSA-N -1 3 281.783 3.191 20 0 CGADHM CC(C)(C)[C@H]1CCN(C(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC000335324613 375262872 /nfs/dbraw/zinc/26/28/72/375262872.db2.gz WVCXPIPBVJTSQZ-LBPRGKRZSA-N -1 3 298.386 3.036 20 0 CGADHM [O-]c1cc(F)cc(CN2CCC=C(c3ccncc3)C2)c1 ZINC000335739264 375390950 /nfs/dbraw/zinc/39/09/50/375390950.db2.gz GWXKRKRJRGGFMJ-UHFFFAOYSA-N -1 3 284.334 3.216 20 0 CGADHM Cc1cccc([C@H]2CCCN2C(=O)c2cccc([O-])c2)n1 ZINC000335747434 375396859 /nfs/dbraw/zinc/39/68/59/375396859.db2.gz AWSFDEJEGYEFRO-MRXNPFEDSA-N -1 3 282.343 3.073 20 0 CGADHM O=C(c1cccc([O-])c1)N1CCC(c2ccsc2)CC1 ZINC000189254332 375350412 /nfs/dbraw/zinc/35/04/12/375350412.db2.gz JFDOAQXQKWYJNV-UHFFFAOYSA-N -1 3 287.384 3.474 20 0 CGADHM O=S(=O)([N-]c1ccsc1Cl)c1ccc(F)cc1 ZINC000189735624 375440041 /nfs/dbraw/zinc/44/00/41/375440041.db2.gz RCXBELXXJDWKHN-UHFFFAOYSA-N -1 3 291.756 3.341 20 0 CGADHM CCc1ncsc1C(=O)[N-]c1ccc(O)cc1SC ZINC000191165376 375587552 /nfs/dbraw/zinc/58/75/52/375587552.db2.gz DGUWAMGTQTZWEB-UHFFFAOYSA-N -1 3 294.401 3.385 20 0 CGADHM Cc1ccc(O)c(NC(=O)c2cc([O-])ccc2Cl)c1 ZINC000335937347 375553653 /nfs/dbraw/zinc/55/36/53/375553653.db2.gz IPKQUEDAIVXMJJ-UHFFFAOYSA-N -1 3 277.707 3.312 20 0 CGADHM O=C(c1cc([O-])ccc1Cl)N1CC[C@@H]2CCC[C@@H]21 ZINC000335939761 375554601 /nfs/dbraw/zinc/55/46/01/375554601.db2.gz TZJPILDTWMYFIU-ZANVPECISA-N -1 3 265.740 3.060 20 0 CGADHM O=C(Nc1ccc([O-])cc1F)c1ccoc1C(F)(F)F ZINC000336015998 375620156 /nfs/dbraw/zinc/62/01/56/375620156.db2.gz KHAPFIOTIZOLMQ-UHFFFAOYSA-N -1 3 289.184 3.395 20 0 CGADHM O=C(c1cccc([O-])c1)N1CCc2cc(Cl)ccc2C1 ZINC000191499351 375635426 /nfs/dbraw/zinc/63/54/26/375635426.db2.gz WMOVJWMQKHOJPW-UHFFFAOYSA-N -1 3 287.746 3.244 20 0 CGADHM CC(C)[C@]1(C)C[C@@H]1C(=O)Nc1ccc([O-])cc1F ZINC000336078318 375668097 /nfs/dbraw/zinc/66/80/97/375668097.db2.gz ZELJNORDWZUOSI-YGRLFVJLSA-N -1 3 251.301 3.152 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])[C@H]1CCC(F)(F)C1 ZINC000336079619 375669682 /nfs/dbraw/zinc/66/96/82/375669682.db2.gz VVHQOGPASQZALD-ZETCQYMHSA-N -1 3 275.682 3.420 20 0 CGADHM CCCCCN(CCO)Cc1cccc([O-])c1Cl ZINC000507116718 375675589 /nfs/dbraw/zinc/67/55/89/375675589.db2.gz QOMUVDYFOALDSG-UHFFFAOYSA-N -1 3 271.788 3.030 20 0 CGADHM Cc1cc(C(=O)N2CC[C@@H](C(F)(F)F)[C@H]2C)ccc1[O-] ZINC000336157618 375733927 /nfs/dbraw/zinc/73/39/27/375733927.db2.gz QCXDOUIKCBKJJS-MWLCHTKSSA-N -1 3 287.281 3.114 20 0 CGADHM CCCCN(CCOC)Cc1cccc([O-])c1Cl ZINC000508499976 375746875 /nfs/dbraw/zinc/74/68/75/375746875.db2.gz BDIRJWQQPLSODX-UHFFFAOYSA-N -1 3 271.788 3.294 20 0 CGADHM CC(C)[C@@H]1CCCN(C(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC000336177690 375751810 /nfs/dbraw/zinc/75/18/10/375751810.db2.gz URBHBMKMWVMPHH-CYBMUJFWSA-N -1 3 298.386 3.036 20 0 CGADHM O=S(=O)([N-]c1cc(Cl)ccc1F)c1ccsc1 ZINC000336328784 375777475 /nfs/dbraw/zinc/77/74/75/375777475.db2.gz XWHLSJXTYDRZRK-UHFFFAOYSA-N -1 3 291.756 3.341 20 0 CGADHM Cc1cc(C(=O)N2CC3(CCC3)C[C@H]2C)ccc1[O-] ZINC000336541841 375819966 /nfs/dbraw/zinc/81/99/66/375819966.db2.gz YTWYJZPQRBWVTM-GFCCVEGCSA-N -1 3 259.349 3.105 20 0 CGADHM COCc1nsc([N-]C(=O)c2sccc2C(C)C)n1 ZINC000130254951 542062627 /nfs/dbraw/zinc/06/26/27/542062627.db2.gz ZWPNPVWRSJJKKG-UHFFFAOYSA-N -1 3 297.405 3.122 20 0 CGADHM COC(=O)c1cnc(S[C@@H](C)c2ccc(F)c(F)c2)[n-]1 ZINC000193543579 375892944 /nfs/dbraw/zinc/89/29/44/375892944.db2.gz ACUUXULIYQLDCX-ZETCQYMHSA-N -1 3 298.314 3.328 20 0 CGADHM COC(=O)c1cnc(S[C@@H](C)c2cc(F)ccc2F)[n-]1 ZINC000193547223 375893006 /nfs/dbraw/zinc/89/30/06/375893006.db2.gz BOJTVFSKDYVDAQ-ZETCQYMHSA-N -1 3 298.314 3.328 20 0 CGADHM O=C(c1ccc(O)cc1[O-])N1CCC[C@H]1C1CCCCC1 ZINC000194164255 375966672 /nfs/dbraw/zinc/96/66/72/375966672.db2.gz LBEDMGMHCHUWTJ-HNNXBMFYSA-N -1 3 289.375 3.283 20 0 CGADHM CCCc1occc1C(=O)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000336890344 376020988 /nfs/dbraw/zinc/02/09/88/376020988.db2.gz MOXNJIHYRKFKPS-UHFFFAOYSA-N -1 3 295.342 3.296 20 0 CGADHM COc1ccc2c(c1)CCCN(Cc1nc(C)ccc1[O-])C2 ZINC000536684605 376121461 /nfs/dbraw/zinc/12/14/61/376121461.db2.gz PORDYWWBDIEDAI-UHFFFAOYSA-N -1 3 298.386 3.053 20 0 CGADHM Cc1ccc(CC(=O)Nc2cc(Cl)cc(C)c2[O-])o1 ZINC000536220575 376082019 /nfs/dbraw/zinc/08/20/19/376082019.db2.gz OOIWIDNOWAPPKB-UHFFFAOYSA-N -1 3 279.723 3.437 20 0 CGADHM O=C([N-]c1ccncc1F)c1cc2cccc(F)c2o1 ZINC000132269015 542075297 /nfs/dbraw/zinc/07/52/97/542075297.db2.gz MXRIHGPSURPUKY-UHFFFAOYSA-N -1 3 274.226 3.358 20 0 CGADHM CCc1ccc([O-])c(C(=O)N(CC2CC2)CC2CC2)c1 ZINC000539843529 376340921 /nfs/dbraw/zinc/34/09/21/376340921.db2.gz CEWCDFGTMFFCPF-UHFFFAOYSA-N -1 3 273.376 3.217 20 0 CGADHM O=C(Cc1ccc(Cl)s1)NCc1ccc([O-])c(F)c1 ZINC000338219321 376287588 /nfs/dbraw/zinc/28/75/88/376287588.db2.gz GSFVIGSKQVKKGI-UHFFFAOYSA-N -1 3 299.754 3.105 20 0 CGADHM CCc1cccc(C(=O)Nc2cccc(CCCO)c2)c1[O-] ZINC000541057786 376418016 /nfs/dbraw/zinc/41/80/16/376418016.db2.gz AOOKYCIODLUCLI-UHFFFAOYSA-N -1 3 299.370 3.132 20 0 CGADHM Cc1cc(C(=O)N(C)[C@H]2CCCC[C@H]2C)ccc1[O-] ZINC000226954108 376377088 /nfs/dbraw/zinc/37/70/88/376377088.db2.gz NZIOQOXAMLXLSE-RISCZKNCSA-N -1 3 261.365 3.351 20 0 CGADHM COC1(c2noc(-c3cccc(C)c3[O-])n2)CCCC1 ZINC000228232839 376433139 /nfs/dbraw/zinc/43/31/39/376433139.db2.gz ATIFYACLYNNFOE-UHFFFAOYSA-N -1 3 274.320 3.166 20 0 CGADHM CC(C)[C@H]1C[C@H]1C(=O)Nc1ccc(Br)cc1[O-] ZINC000542007133 376501510 /nfs/dbraw/zinc/50/15/10/376501510.db2.gz LCWQIAYGHNOWRQ-NXEZZACHSA-N -1 3 298.180 3.385 20 0 CGADHM Cc1cc(C(=O)N2CCC[C@H]2c2ccccn2)ccc1[O-] ZINC000542785271 376577751 /nfs/dbraw/zinc/57/77/51/376577751.db2.gz HSBKQENIUSDQHU-HNNXBMFYSA-N -1 3 282.343 3.073 20 0 CGADHM O=C(NCc1cccs1)c1cc([O-])ccc1Cl ZINC000236555757 376667765 /nfs/dbraw/zinc/66/77/65/376667765.db2.gz YHGQWQZULLYWJE-UHFFFAOYSA-N -1 3 267.737 3.037 20 0 CGADHM CC1([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)CCC1 ZINC000339046150 376644993 /nfs/dbraw/zinc/64/49/93/376644993.db2.gz FHVIMTFPHIANEJ-UHFFFAOYSA-N -1 3 294.203 3.214 20 0 CGADHM Cc1ccc(NC(=O)c2cc([O-])ccc2Cl)cc1O ZINC000235894703 376652671 /nfs/dbraw/zinc/65/26/71/376652671.db2.gz JXECGTSBQSXZPQ-UHFFFAOYSA-N -1 3 277.707 3.312 20 0 CGADHM O=C(NC[C@@H]1CC=CCC1)c1cc([O-])ccc1Cl ZINC000236615714 376672099 /nfs/dbraw/zinc/67/20/99/376672099.db2.gz ZGVUJPUXLZIYPB-SNVBAGLBSA-N -1 3 265.740 3.132 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2csc(-c3ccccn3)n2)n1 ZINC000339116551 376690077 /nfs/dbraw/zinc/69/00/77/376690077.db2.gz OVOXMRJQHIJZLS-WAYWQWQTSA-N -1 3 296.355 3.180 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2csc(Br)c2)n1 ZINC000339116469 376690414 /nfs/dbraw/zinc/69/04/14/376690414.db2.gz MJGKUOYOTAIQHT-IHWYPQMZSA-N -1 3 297.177 3.485 20 0 CGADHM COc1ccc([C@@H](CC(=O)[O-])NCc2ccccc2)cc1 ZINC000142681401 542095211 /nfs/dbraw/zinc/09/52/11/542095211.db2.gz UTFVHXFLKQUXDH-MRXNPFEDSA-N -1 3 285.343 3.001 20 0 CGADHM CC[C@@H](C(=O)Nc1ccc(C)cc1[O-])c1c(C)noc1C ZINC000340033730 376897770 /nfs/dbraw/zinc/89/77/70/376897770.db2.gz OLTCXGMGPOIEKR-GFCCVEGCSA-N -1 3 288.347 3.438 20 0 CGADHM COc1ccc(NC(=O)Cc2coc3ccccc23)c([O-])c1 ZINC000557004812 376916161 /nfs/dbraw/zinc/91/61/61/376916161.db2.gz FUKPUOPCDZFYIX-UHFFFAOYSA-N -1 3 297.310 3.328 20 0 CGADHM O=C(CCc1nccs1)Nc1c([O-])cccc1Cl ZINC000557183229 376924322 /nfs/dbraw/zinc/92/43/22/376924322.db2.gz AVGFBNRUIRITAW-UHFFFAOYSA-N -1 3 282.752 3.073 20 0 CGADHM CCc1cc(=O)[n-]c(CN2Cc3ccccc3C(C)(C)C2)n1 ZINC000340234720 376959045 /nfs/dbraw/zinc/95/90/45/376959045.db2.gz MXFLSRSSZKUCIB-UHFFFAOYSA-N -1 3 297.402 3.038 20 0 CGADHM CC(C)c1cccc2c1CCN(Cc1ncccc1[O-])C2 ZINC000558408660 377004097 /nfs/dbraw/zinc/00/40/97/377004097.db2.gz GBWGLZMRURALOJ-UHFFFAOYSA-N -1 3 282.387 3.469 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])[C@H]1[C@@H]2CCC[C@@H]21 ZINC000246698731 377072862 /nfs/dbraw/zinc/07/28/62/377072862.db2.gz FBLAJNLJPUILFB-GDGBQDQQSA-N -1 3 251.713 3.030 20 0 CGADHM O=C(c1cc([O-])ccc1Cl)N1CCC[C@H]2CCC[C@@H]21 ZINC000236604505 284616604 /nfs/dbraw/zinc/61/66/04/284616604.db2.gz AGUCKCHBVOKIGG-YGRLFVJLSA-N -1 3 279.767 3.450 20 0 CGADHM CC(C)CCC[C@H](C)NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000561109572 377208625 /nfs/dbraw/zinc/20/86/25/377208625.db2.gz LRVGZVYUZINPED-NSHDSACASA-N -1 3 291.395 3.004 20 0 CGADHM [O-]c1cccc(CN2CCC[C@H](F)C2)c1Br ZINC000563273895 377430185 /nfs/dbraw/zinc/43/01/85/377430185.db2.gz YSSAYPOLBWLEIS-JTQLQIEISA-N -1 3 288.160 3.089 20 0 CGADHM CO[C@H](C)c1cccc(NCc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000417027661 249125019 /nfs/dbraw/zinc/12/50/19/249125019.db2.gz NUYHFOOEPHWBII-LLVKDONJSA-N -1 3 299.374 3.379 20 0 CGADHM O=C(Nc1ccc(Br)cc1[O-])C1CCCC1 ZINC000514820287 249190904 /nfs/dbraw/zinc/19/09/04/249190904.db2.gz HOKRBJAJMCZQEU-UHFFFAOYSA-N -1 3 284.153 3.283 20 0 CGADHM C[C@H](c1cc(F)ccc1F)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000515059378 249199451 /nfs/dbraw/zinc/19/94/51/249199451.db2.gz LSXWELQMTAJQOH-GIPNMCIBSA-N -1 3 283.318 3.068 20 0 CGADHM Cc1o[n-]c(=NC(=O)c2cccc(C(C)(C)C)c2)c1C ZINC000516313324 249232158 /nfs/dbraw/zinc/23/21/58/249232158.db2.gz PJFPTYXFTRRDLG-UHFFFAOYSA-N -1 3 272.348 3.263 20 0 CGADHM CCC[C@H]1CCCN(Cc2cc(C(=O)[O-])c(C)o2)C1 ZINC000518546711 249282658 /nfs/dbraw/zinc/28/26/58/249282658.db2.gz NNQNQDMHPDPZPK-LBPRGKRZSA-N -1 3 265.353 3.298 20 0 CGADHM CCO[C@H]1C[C@H]([N@H+](C)Cc2ncccc2[O-])C1(CC)CC ZINC000516962759 249251190 /nfs/dbraw/zinc/25/11/90/249251190.db2.gz GRSJENVPXJAVMW-HOTGVXAUSA-N -1 3 292.423 3.203 20 0 CGADHM CCO[C@H]1C[C@H](N(C)Cc2ncccc2[O-])C1(CC)CC ZINC000516962759 249251195 /nfs/dbraw/zinc/25/11/95/249251195.db2.gz GRSJENVPXJAVMW-HOTGVXAUSA-N -1 3 292.423 3.203 20 0 CGADHM CSCCCCc1nc(-c2ccc([O-])cc2)no1 ZINC000265736910 190202829 /nfs/dbraw/zinc/20/28/29/190202829.db2.gz AWDAGTPLSIOQAF-UHFFFAOYSA-N -1 3 264.350 3.128 20 0 CGADHM CCc1oc(C(=O)[O-])cc1CN1CC[C@](C)(CC)C1 ZINC000574212877 377634612 /nfs/dbraw/zinc/63/46/12/377634612.db2.gz HAVUVQHCZJXRKQ-HNNXBMFYSA-N -1 3 265.353 3.162 20 0 CGADHM C[C@H]1CCN([C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)C1 ZINC000574458240 377665526 /nfs/dbraw/zinc/66/55/26/377665526.db2.gz BNSDAAMTNJPHNG-UFBFGSQYSA-N -1 3 288.174 3.461 20 0 CGADHM CC(C)(C)c1nc(C=Cc2cccnc2)cc(=O)[n-]1 ZINC000253421221 377690947 /nfs/dbraw/zinc/69/09/47/377690947.db2.gz SEIPZDCEZIPFIN-VOTSOKGWSA-N -1 3 255.321 3.045 20 0 CGADHM O=C(/C=C\c1cccc(F)c1)Nc1ccccc1[O-] ZINC000255014277 377724861 /nfs/dbraw/zinc/72/48/61/377724861.db2.gz LACANVFEYNQBHK-HJWRWDBZSA-N -1 3 257.264 3.183 20 0 CGADHM CC[C@]1(C)CCN(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000342854469 377835960 /nfs/dbraw/zinc/83/59/60/377835960.db2.gz AYXRYMBNBHXTOA-CQSZACIVSA-N -1 3 267.756 3.308 20 0 CGADHM COC(=O)c1cc(C(=O)Nc2cc(C)ccc2Cl)c[n-]1 ZINC000342972146 377875639 /nfs/dbraw/zinc/87/56/39/377875639.db2.gz OKCLZNLHRKRDAN-UHFFFAOYSA-N -1 3 292.722 3.015 20 0 CGADHM Cc1nc(NC(=O)c2c[n-]nc2-c2ccccc2)cs1 ZINC000343020121 377884389 /nfs/dbraw/zinc/88/43/89/377884389.db2.gz JGLLXRZUTBLUHS-UHFFFAOYSA-N -1 3 284.344 3.094 20 0 CGADHM Cc1cc(Cl)cc(CN2C[C@H](C)C[C@@H](C(=O)[O-])C2)c1 ZINC000263081746 377917895 /nfs/dbraw/zinc/91/78/95/377917895.db2.gz RVYVGLPZSSPDTC-DGCLKSJQSA-N -1 3 281.783 3.191 20 0 CGADHM C[C@H](c1ccccc1Cl)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000263350758 377928051 /nfs/dbraw/zinc/92/80/51/377928051.db2.gz PRYQXUJXTNINEA-UTUOFQBUSA-N -1 3 281.783 3.444 20 0 CGADHM CCc1cccc(Cl)c1CN1CCC(C(=O)[O-])CC1 ZINC000263437435 377936736 /nfs/dbraw/zinc/93/67/36/377936736.db2.gz VBCDUIDMKNGTNR-UHFFFAOYSA-N -1 3 281.783 3.199 20 0 CGADHM C[C@H]1CC[C@@H](C(=O)[O-])CN1Cc1cccc(Cl)c1 ZINC000263476248 377941093 /nfs/dbraw/zinc/94/10/93/377941093.db2.gz FKQKPGWZXAGTKJ-CMPLNLGQSA-N -1 3 267.756 3.025 20 0 CGADHM O=C([O-])[C@@]12CCC[C@H]1CN(Cc1cc(Cl)ccc1F)C2 ZINC000263488731 377941330 /nfs/dbraw/zinc/94/13/30/377941330.db2.gz IAFZAWUOMFDMMG-XHDPSFHLSA-N -1 3 297.757 3.166 20 0 CGADHM C[C@@H](CN(C)Cc1ccc(-c2ccccc2F)o1)C(=O)[O-] ZINC000263510249 377943075 /nfs/dbraw/zinc/94/30/75/377943075.db2.gz NDKWWOKFWQAATO-NSHDSACASA-N -1 3 291.322 3.238 20 0 CGADHM CC[C@@H](C)[C@H](C)N(C(=O)c1ccccc1[O-])C1CC1 ZINC000264231221 377966545 /nfs/dbraw/zinc/96/65/45/377966545.db2.gz BEGRIGGFLSLEKZ-NEPJUHHUSA-N -1 3 261.365 3.431 20 0 CGADHM C[C@H]1CCCCN1Cc1ccc(C(=O)[O-])c(Cl)c1 ZINC000575755146 377987271 /nfs/dbraw/zinc/98/72/71/377987271.db2.gz BSHHJSPAZUOIER-JTQLQIEISA-N -1 3 267.756 3.413 20 0 CGADHM CCc1cccc(Cl)c1CN1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC000578532172 378078810 /nfs/dbraw/zinc/07/88/10/378078810.db2.gz FCUAXUOROXGIPC-WCQYABFASA-N -1 3 295.810 3.445 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)CCc2cncs2)c1[O-] ZINC000343937979 378138618 /nfs/dbraw/zinc/13/86/18/378138618.db2.gz VACHLVIEAJUMIH-UHFFFAOYSA-N -1 3 296.779 3.382 20 0 CGADHM Cc1oc(CN(C)C[C@H]2CCCC2(F)F)cc1C(=O)[O-] ZINC000578660660 378090517 /nfs/dbraw/zinc/09/05/17/378090517.db2.gz PYTOQJJOTVJXAP-SNVBAGLBSA-N -1 3 287.306 3.153 20 0 CGADHM C[C@@H]1CCCN1[C@@H](C(=O)[O-])c1cccc(Br)c1 ZINC000579720700 378186523 /nfs/dbraw/zinc/18/65/23/378186523.db2.gz RLZGABGFQHVDLG-BXKDBHETSA-N -1 3 298.180 3.059 20 0 CGADHM COc1ccc([C@@H]2CCCN2c2ccncc2C(=O)[O-])cc1 ZINC000579957895 378211311 /nfs/dbraw/zinc/21/13/11/378211311.db2.gz KESPQIPOTKHHBE-HNNXBMFYSA-N -1 3 298.342 3.130 20 0 CGADHM COc1cccc2c(C(=O)Nc3cc(F)ccc3C)[n-]nc21 ZINC000345184671 378217485 /nfs/dbraw/zinc/21/74/85/378217485.db2.gz HKXKNVYRBVHLHX-UHFFFAOYSA-N -1 3 299.305 3.271 20 0 CGADHM COc1cccc2c(C(=O)Nc3cc(F)ccc3C)n[n-]c21 ZINC000345184671 378217492 /nfs/dbraw/zinc/21/74/92/378217492.db2.gz HKXKNVYRBVHLHX-UHFFFAOYSA-N -1 3 299.305 3.271 20 0 CGADHM CC[C@@H](C)N(C)Cc1c(Cl)cccc1C(=O)[O-] ZINC000580955758 378271739 /nfs/dbraw/zinc/27/17/39/378271739.db2.gz OXUBZVLIPITURB-SECBINFHSA-N -1 3 255.745 3.269 20 0 CGADHM COc1cccc2c(C(=O)Nc3cccc(C)c3F)[n-]nc21 ZINC000345217621 378225202 /nfs/dbraw/zinc/22/52/02/378225202.db2.gz LDJKCCHADOUUOX-UHFFFAOYSA-N -1 3 299.305 3.271 20 0 CGADHM COc1cccc2c(C(=O)Nc3cccc(C)c3F)n[n-]c21 ZINC000345217621 378225211 /nfs/dbraw/zinc/22/52/11/378225211.db2.gz LDJKCCHADOUUOX-UHFFFAOYSA-N -1 3 299.305 3.271 20 0 CGADHM Cc1ccc(SCC(=O)Nc2nc(C)ccc2[O-])cc1 ZINC000345925595 378410845 /nfs/dbraw/zinc/41/08/45/378410845.db2.gz KGHPRNVQAFMJSB-UHFFFAOYSA-N -1 3 288.372 3.135 20 0 CGADHM Cc1ccc([O-])c(CN2CCC(OCCC(C)C)CC2)n1 ZINC000271132220 378459087 /nfs/dbraw/zinc/45/90/87/378459087.db2.gz QLMUENNDWPWBDU-UHFFFAOYSA-N -1 3 292.423 3.123 20 0 CGADHM [O-]c1ccc(CCCc2nc(CC3CC3)no2)cc1F ZINC000345950501 378418724 /nfs/dbraw/zinc/41/87/24/378418724.db2.gz GKJJPBCFZGOHIP-UHFFFAOYSA-N -1 3 276.311 3.042 20 0 CGADHM CS[C@@H](C(=O)Nc1nc(C)ccc1[O-])c1ccccc1 ZINC000346001252 378434862 /nfs/dbraw/zinc/43/48/62/378434862.db2.gz VZQNROLHCGJAHU-CYBMUJFWSA-N -1 3 288.372 3.138 20 0 CGADHM CC1(C)CCN(C(=O)Cc2ccc([O-])cc2Cl)CC1 ZINC000346360248 378555857 /nfs/dbraw/zinc/55/58/57/378555857.db2.gz LJXBWGZEARDZFN-UHFFFAOYSA-N -1 3 281.783 3.237 20 0 CGADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCCC2(CC2)C1 ZINC000346291531 378533917 /nfs/dbraw/zinc/53/39/17/378533917.db2.gz WWSJDRMAIGRWBH-UHFFFAOYSA-N -1 3 291.366 3.257 20 0 CGADHM Cc1cccc([O-])c1NC(=O)c1cccc([C@H]2CCOC2)c1 ZINC000272581295 378669953 /nfs/dbraw/zinc/66/99/53/378669953.db2.gz WHRJBVQIFBNURB-HNNXBMFYSA-N -1 3 297.354 3.457 20 0 CGADHM COc1cc(C(=O)N([C@@H](C)C(C)C)C2CC2)ccc1[O-] ZINC000272612375 378676287 /nfs/dbraw/zinc/67/62/87/378676287.db2.gz OFIBDYJZOMZSOI-NSHDSACASA-N -1 3 277.364 3.050 20 0 CGADHM CCN(C(=O)c1ccc([O-])c(OC)c1)C1CCCCC1 ZINC000272622413 378677306 /nfs/dbraw/zinc/67/73/06/378677306.db2.gz RJNMDIJQCYLNHW-UHFFFAOYSA-N -1 3 277.364 3.196 20 0 CGADHM [O-]c1cccnc1CNCc1cccc(-c2ccccn2)c1 ZINC000348122402 378800576 /nfs/dbraw/zinc/80/05/76/378800576.db2.gz UMLGLBSABBSIBJ-UHFFFAOYSA-N -1 3 291.354 3.139 20 0 CGADHM [O-]c1c(-c2nc([C@@H]3CCCO3)no2)ccc2c1CCCC2 ZINC000274171906 378787328 /nfs/dbraw/zinc/78/73/28/378787328.db2.gz OTBLMCVALJFKMH-ZDUSSCGKSA-N -1 3 286.331 3.173 20 0 CGADHM CC[C@@H](NCc1cnc(C)[n-]c1=O)c1cccc(Cl)c1 ZINC000346795621 218015311 /nfs/dbraw/zinc/01/53/11/218015311.db2.gz NBEYUSUFERJADP-CQSZACIVSA-N -1 3 291.782 3.385 20 0 CGADHM CCn1nc(C[N-]c2nc(C(C)C)no2)c2ccccc21 ZINC000274386358 378823567 /nfs/dbraw/zinc/82/35/67/378823567.db2.gz AFTDEUYKPLXJHE-UHFFFAOYSA-N -1 3 285.351 3.175 20 0 CGADHM CC(C)=CCCNC(=O)c1c[n-]c2ccccc2c1=O ZINC000276617412 378967658 /nfs/dbraw/zinc/96/76/58/378967658.db2.gz KCTFIJSLYCFBNE-UHFFFAOYSA-N -1 3 270.332 3.027 20 0 CGADHM COc1cccc(C2(C(=O)Nc3ccc(C)cc3[O-])CC2)c1 ZINC000348509632 378971449 /nfs/dbraw/zinc/97/14/49/378971449.db2.gz RNSWNLHDJRIRJO-UHFFFAOYSA-N -1 3 297.354 3.380 20 0 CGADHM O=C(Nc1ncccc1[O-])c1ccccc1C(F)(F)F ZINC000191594846 542261166 /nfs/dbraw/zinc/26/11/66/542261166.db2.gz DCVAPQICGLUEJW-UHFFFAOYSA-N -1 3 282.221 3.058 20 0 CGADHM CCO[C@@H](CCN=c1[n-]c(C(F)(F)F)cs1)C(C)C ZINC000347418564 218229417 /nfs/dbraw/zinc/22/94/17/218229417.db2.gz VNLBSUDXGFCIAT-VIFPVBQESA-N -1 3 296.358 3.447 20 0 CGADHM C[C@H](CCNCc1cccc(Cl)c1F)CC(=O)[O-] ZINC000277189907 379093499 /nfs/dbraw/zinc/09/34/99/379093499.db2.gz FURUXBPMZVIALE-SECBINFHSA-N -1 3 273.735 3.070 20 0 CGADHM C[C@@H](CCCNCc1ccc(F)cc1Cl)C(=O)[O-] ZINC000277207737 379098084 /nfs/dbraw/zinc/09/80/84/379098084.db2.gz GYRFIAXCEZEJOR-VIFPVBQESA-N -1 3 273.735 3.070 20 0 CGADHM C[C@@H](CCCC(=O)[O-])NCc1cccc(Cl)c1F ZINC000277257530 379112076 /nfs/dbraw/zinc/11/20/76/379112076.db2.gz KIQVSMFJUXRYAT-VIFPVBQESA-N -1 3 273.735 3.212 20 0 CGADHM CC(C)[C@H](CNC(=O)c1csc(=O)[n-]1)c1ccccc1 ZINC000348929331 379113963 /nfs/dbraw/zinc/11/39/63/379113963.db2.gz FYEDAKZGAWLJJF-LBPRGKRZSA-N -1 3 290.388 3.018 20 0 CGADHM CC[C@@H]1CCC[C@@H](CNCc2nc(C(=O)[O-])cs2)C1 ZINC000277387039 379146819 /nfs/dbraw/zinc/14/68/19/379146819.db2.gz RBXXUCYKHAJWHV-GHMZBOCLSA-N -1 3 282.409 3.147 20 0 CGADHM CC(C)(C)[C@H](CC(=O)[O-])NCc1ccc(F)cc1Cl ZINC000277504469 379175737 /nfs/dbraw/zinc/17/57/37/379175737.db2.gz XUHMGFZDPLCALD-LBPRGKRZSA-N -1 3 287.762 3.458 20 0 CGADHM O=C([O-])[C@@H](NCC1CCCCC1)c1c(F)cccc1F ZINC000277522279 379180451 /nfs/dbraw/zinc/18/04/51/379180451.db2.gz YUQMHNIVBPXGBA-AWEZNQCLSA-N -1 3 283.318 3.260 20 0 CGADHM CC(C)(C)[C@H](CC(=O)[O-])NCc1cc(Cl)ccc1F ZINC000277528098 379182240 /nfs/dbraw/zinc/18/22/40/379182240.db2.gz YZSRIFWXVAMZAH-LBPRGKRZSA-N -1 3 287.762 3.458 20 0 CGADHM CC(C)c1ccc(C(=O)N2CCSC[C@@H](C)C2)c([O-])c1 ZINC000277633723 379204401 /nfs/dbraw/zinc/20/44/01/379204401.db2.gz WMNOCCAJRAZKBI-LBPRGKRZSA-N -1 3 293.432 3.341 20 0 CGADHM CCCc1csc([N-]C(=O)c2nc(Cl)cs2)n1 ZINC000279829347 379526535 /nfs/dbraw/zinc/52/65/35/379526535.db2.gz VNUKIKRJFJHQJZ-UHFFFAOYSA-N -1 3 287.797 3.458 20 0 CGADHM [O-]c1ccc(-c2noc(CSCc3ccccn3)n2)cc1 ZINC000350592038 379568603 /nfs/dbraw/zinc/56/86/03/379568603.db2.gz YLHXULJUSLCAGE-UHFFFAOYSA-N -1 3 299.355 3.271 20 0 CGADHM CC[C@H](C)[C@H](OC)c1nc(-c2ccc([O-])c(OC)c2)no1 ZINC000350589638 379569037 /nfs/dbraw/zinc/56/90/37/379569037.db2.gz ZPEYOGUNECWOHO-ZANVPECISA-N -1 3 292.335 3.184 20 0 CGADHM COc1cc(F)c([N-]C(=O)c2cnc(C3CC3)o2)cc1F ZINC000639937362 379657404 /nfs/dbraw/zinc/65/74/04/379657404.db2.gz WXNOYDGHSGYDOL-UHFFFAOYSA-N -1 3 294.257 3.091 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)S[C@@H](C)C(=O)OC(C)(C)C)n1 ZINC000280845875 379805474 /nfs/dbraw/zinc/80/54/74/379805474.db2.gz BCPWUCRWCLZRTL-UWVGGRQHSA-N -1 3 298.408 3.015 20 0 CGADHM Cc1cc2cc(C(=O)NCc3ncccc3[O-])oc2cc1C ZINC000352499388 379838244 /nfs/dbraw/zinc/83/82/44/379838244.db2.gz GEMGVMWSPSNOSC-UHFFFAOYSA-N -1 3 296.326 3.080 20 0 CGADHM CCC[C@@H](C)C(=O)N=c1[nH][n-]c(C)c1-c1cccc(F)c1 ZINC000640946557 379884142 /nfs/dbraw/zinc/88/41/42/379884142.db2.gz REJYWEOBPMIKSC-SNVBAGLBSA-N -1 3 289.354 3.321 20 0 CGADHM CC1=C[C@@H](C)CN(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000352651342 379891874 /nfs/dbraw/zinc/89/18/74/379891874.db2.gz HCDMYECAEWTYKZ-SECBINFHSA-N -1 3 265.740 3.084 20 0 CGADHM COc1cccc(C(=O)N(C)C[C@@H](C)C(C)(C)C)c1[O-] ZINC000399623343 379943483 /nfs/dbraw/zinc/94/34/83/379943483.db2.gz UIRXVMAOBNMASA-LLVKDONJSA-N -1 3 279.380 3.155 20 0 CGADHM [O-]c1ccc(F)c(CNC[C@H]2CCCCS2)c1F ZINC000352855766 380007383 /nfs/dbraw/zinc/00/73/83/380007383.db2.gz ZOILWJJPBNNHSK-SECBINFHSA-N -1 3 273.348 3.046 20 0 CGADHM CC(C)(C)C[C@@H](CC(=O)[O-])NCc1cccc(F)c1F ZINC000283795924 380090943 /nfs/dbraw/zinc/09/09/43/380090943.db2.gz GHIQVPOTHIVFJY-LLVKDONJSA-N -1 3 285.334 3.334 20 0 CGADHM CC(C)O[C@@H]1C[C@H](NCc2c(F)ccc([O-])c2F)C1(C)C ZINC000352923154 380040596 /nfs/dbraw/zinc/04/05/96/380040596.db2.gz GRWNMRBTRDGLBM-UONOGXRCSA-N -1 3 299.361 3.352 20 0 CGADHM Cc1cc(C)cc(OCCOc2ccc3c([O-])coc3c2)c1 ZINC000642608496 380179252 /nfs/dbraw/zinc/17/92/52/380179252.db2.gz CQWYCOWERBVJAY-UHFFFAOYSA-N -1 3 298.338 3.336 20 0 CGADHM [O-]c1ccc(F)c(CNc2cccc3c2CCO3)c1F ZINC000353258441 380191998 /nfs/dbraw/zinc/19/19/98/380191998.db2.gz KHGABZCPOOHFLW-UHFFFAOYSA-N -1 3 277.270 3.217 20 0 CGADHM CC(C)CC1(CNC(=O)c2c[n-]c3ccccc3c2=O)CC1 ZINC000268281142 190392717 /nfs/dbraw/zinc/39/27/17/190392717.db2.gz WJZATZJWYGNULQ-UHFFFAOYSA-N -1 3 298.386 3.497 20 0 CGADHM Cc1cc(C(=O)NCc2ccc(F)c(C)c2)ccc1[O-] ZINC000353911151 380229745 /nfs/dbraw/zinc/22/97/45/380229745.db2.gz QWVUKWSPISIZTH-UHFFFAOYSA-N -1 3 273.307 3.078 20 0 CGADHM Cc1coc(C)c1C(=O)N=c1cc(-c2ccccc2)o[n-]1 ZINC000354120706 380335845 /nfs/dbraw/zinc/33/58/45/380335845.db2.gz UQANCDLGKRQWCC-UHFFFAOYSA-N -1 3 282.299 3.226 20 0 CGADHM NC1(c2noc(-c3cc4cc(Cl)sc4[n-]3)n2)CCC1 ZINC000414622829 380341644 /nfs/dbraw/zinc/34/16/44/380341644.db2.gz CNLQIMPUPOGYKJ-UHFFFAOYSA-N -1 3 294.767 3.271 20 0 CGADHM Cc1cc(C(=O)N[C@H]2CCc3c2cccc3F)ccc1[O-] ZINC000354361204 380413251 /nfs/dbraw/zinc/41/32/51/380413251.db2.gz NINQCFCAWGWRJK-HNNXBMFYSA-N -1 3 285.318 3.257 20 0 CGADHM O=C(C[C@H]1C[C@@H]1c1ccccc1)NCc1ccc([O-])c(F)c1 ZINC000354370438 380416084 /nfs/dbraw/zinc/41/60/84/380416084.db2.gz GNYWCSHDCNTBDR-HUUCEWRRSA-N -1 3 299.345 3.341 20 0 CGADHM Cc1cc(C(=O)N2CC[C@H]2c2ccccc2)ccc1[O-] ZINC000354388311 380422462 /nfs/dbraw/zinc/42/24/62/380422462.db2.gz LAVGYAHTXGWSST-HNNXBMFYSA-N -1 3 267.328 3.288 20 0 CGADHM Cc1ccc(NCc2cc(=O)[n-]c(C3CC3)n2)cc1F ZINC000416997828 380558671 /nfs/dbraw/zinc/55/86/71/380558671.db2.gz WGEMTMIAORPVMM-UHFFFAOYSA-N -1 3 273.311 3.119 20 0 CGADHM CCc1cnc(CN[C@@H]2CCCCCC[C@H]2C(=O)[O-])s1 ZINC000417567593 380640345 /nfs/dbraw/zinc/64/03/45/380640345.db2.gz SOLVSPDQSQODRJ-CHWSQXEVSA-N -1 3 296.436 3.219 20 0 CGADHM COc1cc(-c2ccccc2)ccc1CNC[C@@H](C)C(=O)[O-] ZINC000417586167 380645181 /nfs/dbraw/zinc/64/51/81/380645181.db2.gz QJFXYMDKMZUOTR-CYBMUJFWSA-N -1 3 299.370 3.173 20 0 CGADHM Cc1ccc(CCNCc2cccc([O-])c2Cl)o1 ZINC000645145383 380594401 /nfs/dbraw/zinc/59/44/01/380594401.db2.gz XWZUQDRJOFJBGV-UHFFFAOYSA-N -1 3 265.740 3.279 20 0 CGADHM C[C@](CO)(NCc1cccc([O-])c1Cl)C1CCCCC1 ZINC000645156739 380598541 /nfs/dbraw/zinc/59/85/41/380598541.db2.gz VUCCHFZPOXPDDW-MRXNPFEDSA-N -1 3 297.826 3.467 20 0 CGADHM C[C@@H](C(=O)[O-])[C@H](C)NCc1cccc(Cl)c1Cl ZINC000417596598 380646802 /nfs/dbraw/zinc/64/68/02/380646802.db2.gz AKBWAPYXYWFBBL-SFYZADRCSA-N -1 3 276.163 3.192 20 0 CGADHM CCOc1c(Cl)cccc1CNCC[C@H](CC)C(=O)[O-] ZINC000417673133 380665365 /nfs/dbraw/zinc/66/53/65/380665365.db2.gz VSUOCMFXRDGZEQ-NSHDSACASA-N -1 3 299.798 3.329 20 0 CGADHM Cc1ccccc1CN[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC000417612119 380650104 /nfs/dbraw/zinc/65/01/04/380650104.db2.gz BKIOXSCJAMHZCD-IRXDYDNUSA-N -1 3 281.355 3.398 20 0 CGADHM Cc1ccc(-c2ccc(CN[C@@H]3C=C[C@@H](C(=O)[O-])C3)o2)cc1 ZINC000417618443 380653313 /nfs/dbraw/zinc/65/33/13/380653313.db2.gz JJQDAWIJKAGXPS-HUUCEWRRSA-N -1 3 297.354 3.374 20 0 CGADHM CCc1oc2ccccc2c1CN[C@H]1C=C[C@@H](C(=O)[O-])C1 ZINC000417616382 380654044 /nfs/dbraw/zinc/65/40/44/380654044.db2.gz HKIYLNFNGVYYEZ-NEPJUHHUSA-N -1 3 285.343 3.114 20 0 CGADHM O=C([O-])C1(CNCc2c(Cl)oc3ccccc32)CCC1 ZINC000417620871 380655162 /nfs/dbraw/zinc/65/51/62/380655162.db2.gz LXYHXOZLESSYBZ-UHFFFAOYSA-N -1 3 293.750 3.431 20 0 CGADHM CC(C)=CCSC[C@@H](NCc1cccc(F)c1)C(=O)[O-] ZINC000417634025 380659735 /nfs/dbraw/zinc/65/97/35/380659735.db2.gz YQCTWSXQSVBHNK-CQSZACIVSA-N -1 3 297.395 3.068 20 0 CGADHM Cc1cccc(C(=O)N2CCC[C@]3(CCSC3)C2)c1[O-] ZINC000334753462 207017599 /nfs/dbraw/zinc/01/75/99/207017599.db2.gz RDBSVLASDPOCMB-INIZCTEOSA-N -1 3 291.416 3.060 20 0 CGADHM C[C@@H]1C[C@H](C)[C@@H](C)N(Cc2nc(=O)c3sccc3[n-]2)C1 ZINC000355789053 380778601 /nfs/dbraw/zinc/77/86/01/380778601.db2.gz URLFCDADWMRGOU-OUAUKWLOSA-N -1 3 291.420 3.263 20 0 CGADHM CC[C@@H](C)c1ncc([N-]S(=O)(=O)CCC(C)(C)C)cn1 ZINC000357088695 381024317 /nfs/dbraw/zinc/02/43/17/381024317.db2.gz OPDTUHPROOLQIW-LLVKDONJSA-N -1 3 299.440 3.168 20 0 CGADHM C[C@@H](CN(C)C(=O)c1cccc([O-])c1)c1ccccc1 ZINC000357433944 381157766 /nfs/dbraw/zinc/15/77/66/381157766.db2.gz RCIZECGTBUZPIC-ZDUSSCGKSA-N -1 3 269.344 3.268 20 0 CGADHM CCS[C@@H]1CC[C@@H](N(C)C(=O)c2cccc([O-])c2)C1 ZINC000357365677 381129347 /nfs/dbraw/zinc/12/93/47/381129347.db2.gz OAVGQEYILRWKLP-TZMCWYRMSA-N -1 3 279.405 3.138 20 0 CGADHM COc1cc(C(=O)Nc2cc(Cl)ccc2[O-])ccc1O ZINC000357675455 381246091 /nfs/dbraw/zinc/24/60/91/381246091.db2.gz MVXYTFWUTZIYEV-UHFFFAOYSA-N -1 3 293.706 3.012 20 0 CGADHM COC1CCC(CN=c2[n-]cc(C(F)(F)F)s2)CC1 ZINC000357681284 381249014 /nfs/dbraw/zinc/24/90/14/381249014.db2.gz HPFFBXWKXHZOEM-UHFFFAOYSA-N -1 3 294.342 3.201 20 0 CGADHM CCCn1c(=O)[n-]nc1SCc1ccccc1SC ZINC000357755356 381277637 /nfs/dbraw/zinc/27/76/37/381277637.db2.gz OVTHXNQCKKDUMO-UHFFFAOYSA-N -1 3 295.433 3.408 20 0 CGADHM CC1=C(C)CN(C(=O)Cc2ccc([O-])cc2Cl)CC1 ZINC000361352858 381713789 /nfs/dbraw/zinc/71/37/89/381713789.db2.gz RJFWOKKMKNPCIJ-UHFFFAOYSA-N -1 3 279.767 3.157 20 0 CGADHM O=C([O-])CC[C@@H]1CCCN(C/C=C\c2ccccc2)C1 ZINC000226952998 542291913 /nfs/dbraw/zinc/29/19/13/542291913.db2.gz IJWHPTZCEZNAFP-FAOGRTBUSA-N -1 3 273.376 3.277 20 0 CGADHM O=C([O-])CCCNCc1cc(C(F)(F)F)ccc1Cl ZINC000362348223 381952020 /nfs/dbraw/zinc/95/20/20/381952020.db2.gz GANOBZQJTLUORA-UHFFFAOYSA-N -1 3 295.688 3.313 20 0 CGADHM CCc1cc(C(=O)N(CC2CC2)CC2CC2)ccc1[O-] ZINC000362827613 382127581 /nfs/dbraw/zinc/12/75/81/382127581.db2.gz ALTDBAJRCYALJH-UHFFFAOYSA-N -1 3 273.376 3.217 20 0 CGADHM O=C(c1ccc([O-])cc1)C1CCN([C@@H]2C=CCCC2)CC1 ZINC000363188755 382190115 /nfs/dbraw/zinc/19/01/15/382190115.db2.gz QBNNQDGLVYWGEF-MRXNPFEDSA-N -1 3 285.387 3.396 20 0 CGADHM COC[C@H]1CCCN(C(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000280792906 542382676 /nfs/dbraw/zinc/38/26/76/542382676.db2.gz FTXWPZODPBXJRH-ZDUSSCGKSA-N -1 3 299.370 3.044 20 0 CGADHM C[C@H]1C[C@H](c2ccccc2)N(C(=O)c2ccc(O)cc2[O-])C1 ZINC000286539769 542394466 /nfs/dbraw/zinc/39/44/66/542394466.db2.gz IRPOZDFZHVQARF-BLLLJJGKSA-N -1 3 297.354 3.321 20 0 CGADHM O=[S@@](Cc1cc(-c2ccccc2)no1)c1cccc([O-])c1 ZINC000350562385 219035402 /nfs/dbraw/zinc/03/54/02/219035402.db2.gz ZNAYPHFFIWJVLT-NRFANRHFSA-N -1 3 299.351 3.355 20 0 CGADHM O=C([O-])c1cccc(CN2CCC[C@@H]2c2ccncc2)c1 ZINC000263450942 304259480 /nfs/dbraw/zinc/25/94/80/304259480.db2.gz ZOLUQFHVPYLWJP-MRXNPFEDSA-N -1 3 282.343 3.117 20 0 CGADHM CC(C)C[C@@H](C)CN1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000312165627 542432897 /nfs/dbraw/zinc/43/28/97/542432897.db2.gz CEHWVGNRQZKDKL-CZUORRHYSA-N -1 3 275.392 3.353 20 0 CGADHM O=C(Nc1cccc([O-])c1F)[C@H]1CC[C@H](C(F)(F)F)C1 ZINC000335413817 542468765 /nfs/dbraw/zinc/46/87/65/542468765.db2.gz HYZVWJKLSADYGD-YUMQZZPRSA-N -1 3 291.244 3.448 20 0 CGADHM CO[C@@H]1CCC[C@@H](CC(=O)Nc2c(C)cccc2[O-])C1 ZINC000281236377 195160967 /nfs/dbraw/zinc/16/09/67/195160967.db2.gz PGFPJEWMELESSQ-CHWSQXEVSA-N -1 3 277.364 3.234 20 0 CGADHM CCSc1cccc(NC([O-])=NOCCSC)c1 ZINC000281497783 195264156 /nfs/dbraw/zinc/26/41/56/195264156.db2.gz UMCMSKYGXIYQDG-UHFFFAOYSA-N -1 3 286.422 3.215 20 0 CGADHM CCSc1cccc(NC(=O)[N-]OCCSC)c1 ZINC000281497783 195264159 /nfs/dbraw/zinc/26/41/59/195264159.db2.gz UMCMSKYGXIYQDG-UHFFFAOYSA-N -1 3 286.422 3.215 20 0 CGADHM C[C@H]1C[C@@H](c2ccccc2)N(C(=O)c2csc(=O)[n-]2)C1 ZINC000336536723 542477898 /nfs/dbraw/zinc/47/78/98/542477898.db2.gz PGJBUMKMDZBHDA-GWCFXTLKSA-N -1 3 288.372 3.072 20 0 CGADHM CCC1(CNC(=O)c2cc([O-])c3ccccc3c2)CC1 ZINC000350112701 542530521 /nfs/dbraw/zinc/53/05/21/542530521.db2.gz FJBMWJUVEMAZMD-UHFFFAOYSA-N -1 3 269.344 3.465 20 0 CGADHM C[C@@H](NCc1ccc(F)c(Cl)c1Cl)[C@H](C)C(=O)[O-] ZINC000417607186 533445949 /nfs/dbraw/zinc/44/59/49/533445949.db2.gz MEPJCETXQXAOMY-NKWVEPMBSA-N -1 3 294.153 3.331 20 0 CGADHM COc1cccc(C(=O)NC2CC(c3ccccc3)C2)c1[O-] ZINC000436518741 533404652 /nfs/dbraw/zinc/40/46/52/533404652.db2.gz ZKBHYLBXAJSZDT-UHFFFAOYSA-N -1 3 297.354 3.077 20 0 CGADHM O=C([O-])[C@H]1CN(C[C@@H]2CCC(F)(F)C2)Cc2ccccc21 ZINC000384396430 542601146 /nfs/dbraw/zinc/60/11/46/542601146.db2.gz GHPHZLHPVPNHMX-RISCZKNCSA-N -1 3 295.329 3.106 20 0 CGADHM CCc1ccc(C(=O)N(Cc2ccncc2)C2CC2)c([O-])c1 ZINC000190241641 130077898 /nfs/dbraw/zinc/07/78/98/130077898.db2.gz DEHWLIZRAMRFMV-UHFFFAOYSA-N -1 3 296.370 3.154 20 0 CGADHM CC1(C)CCC(c2nc3cccnc3c(=O)[n-]2)CC1 ZINC000416417986 542643459 /nfs/dbraw/zinc/64/34/59/542643459.db2.gz ZJGRRBOXMYSZRQ-UHFFFAOYSA-N -1 3 257.337 3.414 20 0 CGADHM CC[C@H](C[N-]S(=O)(=O)c1cccs1)c1ccccc1 ZINC000022279524 391943718 /nfs/dbraw/zinc/94/37/18/391943718.db2.gz CPDXEOWJHSYTDA-GFCCVEGCSA-N -1 3 295.429 3.220 20 0 CGADHM COc1ccc([O-])c(C(=O)Nc2cccc(C)c2C)c1 ZINC000051770512 392073390 /nfs/dbraw/zinc/07/33/90/392073390.db2.gz GJAADSDDZQBOIH-UHFFFAOYSA-N -1 3 271.316 3.270 20 0 CGADHM COc1cccc(C(=O)NC(C)(C)CC(C)(C)C)c1[O-] ZINC000053674228 392086849 /nfs/dbraw/zinc/08/68/49/392086849.db2.gz QVSMIZDCUGRNDZ-UHFFFAOYSA-N -1 3 279.380 3.345 20 0 CGADHM Cc1oc(C(=O)[O-])cc1CN(C)[C@H](C)C(C)(C)C ZINC000051361666 392069078 /nfs/dbraw/zinc/06/90/78/392069078.db2.gz ALZTVOJPNMAFSU-SNVBAGLBSA-N -1 3 253.342 3.153 20 0 CGADHM CC(C)c1ccc(C(=O)NCCOc2ccccc2)c([O-])c1 ZINC000071946393 392194406 /nfs/dbraw/zinc/19/44/06/392194406.db2.gz DBXQPWUPQHVCRN-UHFFFAOYSA-N -1 3 299.370 3.324 20 0 CGADHM CCCN(CC)C(=O)c1c[n-]c2ccc(C)cc2c1=O ZINC000285831527 392337078 /nfs/dbraw/zinc/33/70/78/392337078.db2.gz APWABTWDVKKBEE-UHFFFAOYSA-N -1 3 272.348 3.121 20 0 CGADHM O=c1[nH]c(Cc2ccccc2Cl)nc2ccc([O-])cc12 ZINC000436926802 542658480 /nfs/dbraw/zinc/65/84/80/542658480.db2.gz NNSPZPGVOZCVDH-UHFFFAOYSA-N -1 3 286.718 3.285 20 0 CGADHM COc1ccc(NC(=O)[C@@H](C)c2cccc(C)c2)c([O-])c1 ZINC000443567269 542666391 /nfs/dbraw/zinc/66/63/91/542666391.db2.gz OWJHAGLAQGWQPL-LBPRGKRZSA-N -1 3 285.343 3.451 20 0 CGADHM COc1ccc(NC(=O)c2ccc(Cl)c(F)c2)c([O-])c1 ZINC000443555848 542666761 /nfs/dbraw/zinc/66/67/61/542666761.db2.gz CKAVQAKBUMDIQA-UHFFFAOYSA-N -1 3 295.697 3.446 20 0 CGADHM CCC[C@H](NCc1ccc(Oc2ccccc2)o1)C(=O)[O-] ZINC000262722046 131255577 /nfs/dbraw/zinc/25/55/77/131255577.db2.gz WGUBISFJIMXLFV-AWEZNQCLSA-N -1 3 289.331 3.415 20 0 CGADHM C[C@H](NCCCCC(=O)[O-])c1c(F)cccc1Cl ZINC000263563430 131298423 /nfs/dbraw/zinc/29/84/23/131298423.db2.gz DJIJZDDVQNJLOD-VIFPVBQESA-N -1 3 273.735 3.385 20 0 CGADHM Cc1cccc(OCCCCC(=O)[N-]OC/C=C/Cl)c1 ZINC000291798094 392483947 /nfs/dbraw/zinc/48/39/47/392483947.db2.gz KURDTAMHSSLRJE-WEVVVXLNSA-N -1 3 297.782 3.344 20 0 CGADHM CCSc1cccc(F)c1[N-]C(=O)c1cnn(CC)c1 ZINC000291835102 392491527 /nfs/dbraw/zinc/49/15/27/392491527.db2.gz ZYJWVASSJJKEGY-UHFFFAOYSA-N -1 3 293.367 3.406 20 0 CGADHM C[C@H]1CC[C@H]1NCc1cccc([O-])c1Br ZINC000315711644 392669845 /nfs/dbraw/zinc/66/98/45/392669845.db2.gz LZCAIVRAILFUMA-WCBMZHEXSA-N -1 3 270.170 3.043 20 0 CGADHM Cc1ccc(C(=O)Nc2ccc(Cl)cc2[O-])cc1O ZINC000181265435 392725916 /nfs/dbraw/zinc/72/59/16/392725916.db2.gz FPEKRTMVYICFGE-UHFFFAOYSA-N -1 3 277.707 3.312 20 0 CGADHM CSc1ccc(CN2CCC(C)(C(=O)[O-])CC2)s1 ZINC000647464490 392729128 /nfs/dbraw/zinc/72/91/28/392729128.db2.gz UUSCHKDPABFZCJ-UHFFFAOYSA-N -1 3 285.434 3.157 20 0 CGADHM C[C@@H]1CCC[C@@H](CC(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)C1 ZINC000647796081 392799991 /nfs/dbraw/zinc/79/99/91/392799991.db2.gz HXTAOHFJCISGIA-GHMZBOCLSA-N -1 3 287.363 3.423 20 0 CGADHM Cc1ccc(C(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)cc1C ZINC000647797265 392800497 /nfs/dbraw/zinc/80/04/97/392800497.db2.gz FVYKZAKQPYDNQR-UHFFFAOYSA-N -1 3 281.315 3.138 20 0 CGADHM C[C@H]1CCN(C(=O)C2CC(F)(F)C2)c2c([O-])cccc21 ZINC000335688631 392807985 /nfs/dbraw/zinc/80/79/85/392807985.db2.gz ZSYRNPAOHBRSNY-VIFPVBQESA-N -1 3 281.302 3.278 20 0 CGADHM CC1(C)Cc2ccsc2CN1Cc1ncccc1[O-] ZINC000519745275 392890692 /nfs/dbraw/zinc/89/06/92/392890692.db2.gz FZOQFGJOXCBVAL-UHFFFAOYSA-N -1 3 274.389 3.186 20 0 CGADHM C[C@@H]1[C@H](C(=O)[O-])CCCN1C/C=C\c1ccc(F)cc1F ZINC000519765666 392891859 /nfs/dbraw/zinc/89/18/59/392891859.db2.gz WGDMGGRACVJYCL-JXMCBRIQSA-N -1 3 295.329 3.163 20 0 CGADHM C[C@@H]1CCC[C@H](NC(=O)c2c[n-]nc2-c2ccccn2)[C@@H]1C ZINC000517211089 392868325 /nfs/dbraw/zinc/86/83/25/392868325.db2.gz JKIWTKSDEJRMDO-BZPMIXESSA-N -1 3 298.390 3.026 20 0 CGADHM CC(C)CC[C@@H]1CCCN1Cc1cc(C(=O)[O-])co1 ZINC000518200649 392870789 /nfs/dbraw/zinc/87/07/89/392870789.db2.gz LMWHWIHJHPHUCL-ZDUSSCGKSA-N -1 3 265.353 3.378 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)[C@@H](C)C2CCC2)c1-c1ccccc1 ZINC000520361971 392920775 /nfs/dbraw/zinc/92/07/75/392920775.db2.gz IBWLRINRWDZIDX-NSHDSACASA-N -1 3 283.375 3.182 20 0 CGADHM COc1cc(-c2nc3cccc(C)c3c(=O)[n-]2)ccc1F ZINC000502834394 542725996 /nfs/dbraw/zinc/72/59/96/542725996.db2.gz UHPFAISJRLFVJP-UHFFFAOYSA-N -1 3 284.290 3.459 20 0 CGADHM C[C@H](CNC(=O)c1cc([O-])c2ccccc2c1)C(F)(F)F ZINC000527460355 542742584 /nfs/dbraw/zinc/74/25/84/542742584.db2.gz DKJQRFYLQHNNRY-SECBINFHSA-N -1 3 297.276 3.474 20 0 CGADHM Cc1cccc(C(=O)Nc2cccc(-c3cc[nH]n3)c2)c1[O-] ZINC000195551685 392971883 /nfs/dbraw/zinc/97/18/83/392971883.db2.gz FHHRUZAPAUQCRP-UHFFFAOYSA-N -1 3 293.326 3.343 20 0 CGADHM Cc1ccc(CN(CC2CC2)C(=O)c2ccccc2[O-])cn1 ZINC000648527297 393085166 /nfs/dbraw/zinc/08/51/66/393085166.db2.gz SEFXEBGGKWDMHJ-UHFFFAOYSA-N -1 3 296.370 3.148 20 0 CGADHM O=C(CCCc1ccc([O-])c(F)c1)Nc1ccccc1 ZINC000468586744 393155417 /nfs/dbraw/zinc/15/54/17/393155417.db2.gz ORCDOZAJHJFVAS-UHFFFAOYSA-N -1 3 273.307 3.493 20 0 CGADHM CC(C)(C)c1nc(C=Cc2cncs2)cc(=O)[n-]1 ZINC000470255758 393235150 /nfs/dbraw/zinc/23/51/50/393235150.db2.gz REEBUPFIDRAGSB-PLNGDYQASA-N -1 3 261.350 3.107 20 0 CGADHM O=C(CCCc1ccc([O-])c(F)c1)N1CC[C@@H]2CCC[C@H]21 ZINC000469621239 393203892 /nfs/dbraw/zinc/20/38/92/393203892.db2.gz LPKOJVIIDNQTNH-DZGCQCFKSA-N -1 3 291.366 3.255 20 0 CGADHM O=C(CCc1ccc2ccccc2c1[O-])NC[C@@H]1CC12CC2 ZINC000416252837 393284746 /nfs/dbraw/zinc/28/47/46/393284746.db2.gz BOGCUFNSTPICDM-HNNXBMFYSA-N -1 3 295.382 3.394 20 0 CGADHM Cc1ccc(C(=O)N2C[C@H](C)[C@H](C)[C@H]2C)c([O-])c1C ZINC000416324309 393300670 /nfs/dbraw/zinc/30/06/70/393300670.db2.gz WRAKMPGLYKIOAI-GMXVVIOVSA-N -1 3 261.365 3.126 20 0 CGADHM COCCCCN(C)C(=O)c1ccc(C(C)C)cc1[O-] ZINC000416337951 393303070 /nfs/dbraw/zinc/30/30/70/393303070.db2.gz HNKVXXFHNSFRTB-UHFFFAOYSA-N -1 3 279.380 3.014 20 0 CGADHM CC(C)CC(CC(C)C)NC(=O)NCc1ncccc1[O-] ZINC000471822759 393311856 /nfs/dbraw/zinc/31/18/56/393311856.db2.gz BQUSUCZIRWRCDF-UHFFFAOYSA-N -1 3 293.411 3.047 20 0 CGADHM CC1(CC(F)F)CN(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000649016288 393319545 /nfs/dbraw/zinc/31/95/45/393319545.db2.gz YZCCPKSYXMHDBW-UHFFFAOYSA-N -1 3 289.709 3.163 20 0 CGADHM C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccc2[nH][n-]c(=O)c2c1 ZINC000646823248 393325670 /nfs/dbraw/zinc/32/56/70/393325670.db2.gz YANXDOTZMIVSBB-JRPNMDOOSA-N -1 3 299.374 3.062 20 0 CGADHM C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc2[nH][n-]c(=O)c2c1 ZINC000646823247 393325832 /nfs/dbraw/zinc/32/58/32/393325832.db2.gz YANXDOTZMIVSBB-HFAKWTLXSA-N -1 3 299.374 3.062 20 0 CGADHM C[C@H]1CN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)C[C@H]1C ZINC000646883102 393327117 /nfs/dbraw/zinc/32/71/17/393327117.db2.gz NBXAHXFPMCCUIN-DTORHVGOSA-N -1 3 287.281 3.139 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)c2cc(C3CC3)no2)c1[O-] ZINC000281894568 393365618 /nfs/dbraw/zinc/36/56/18/393365618.db2.gz HKCNIBYBAHIGIY-UHFFFAOYSA-N -1 3 292.722 3.472 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000649228926 393376285 /nfs/dbraw/zinc/37/62/85/393376285.db2.gz FWWJKPNWLIBFCI-NTZNESFSSA-N -1 3 277.412 3.274 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@@H](C)C1CCCC1 ZINC000649231225 393378982 /nfs/dbraw/zinc/37/89/82/393378982.db2.gz LVHPODYQFBLBHX-JTQLQIEISA-N -1 3 263.385 3.028 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)C(C)(C)c1ccc(C)cc1 ZINC000649230949 393379576 /nfs/dbraw/zinc/37/95/76/393379576.db2.gz BBXDGILXTWRWAF-UHFFFAOYSA-N -1 3 299.418 3.488 20 0 CGADHM Cc1cccc2c1ncc(C)c2N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000649404864 393412870 /nfs/dbraw/zinc/41/28/70/393412870.db2.gz XUXOCOQCGWZZMK-ZIAGYGMSSA-N -1 3 298.386 3.399 20 0 CGADHM Cc1cccc2c1ncc(C)c2N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC000649404863 393412915 /nfs/dbraw/zinc/41/29/15/393412915.db2.gz XUXOCOQCGWZZMK-UONOGXRCSA-N -1 3 298.386 3.399 20 0 CGADHM CCc1ccc([O-])c(C(=O)N(C)[C@H]2CC[C@H](C)C2)c1 ZINC000430451024 393568720 /nfs/dbraw/zinc/56/87/20/393568720.db2.gz VFJJCQNJBMUKRZ-AAEUAGOBSA-N -1 3 261.365 3.215 20 0 CGADHM C[C@H]1CC[C@H](N(C)C(=O)Cc2ccc([O-])cc2Cl)C1 ZINC000430450390 393569070 /nfs/dbraw/zinc/56/90/70/393569070.db2.gz UDJHPBBYZJCZRA-JQWIXIFHSA-N -1 3 281.783 3.235 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCC[C@@H](c3ccccc3)C2)n1 ZINC000433074930 393682453 /nfs/dbraw/zinc/68/24/53/393682453.db2.gz XAYVMJIHMAMXAO-GDBMZVCRSA-N -1 3 297.402 3.431 20 0 CGADHM COc1cc(C(=O)N2CCC[C@H](CC(C)C)C2)ccc1[O-] ZINC000443063592 393740503 /nfs/dbraw/zinc/74/05/03/393740503.db2.gz YXKRMNDRVWXJKT-CYBMUJFWSA-N -1 3 291.391 3.299 20 0 CGADHM O=C(/C=C\c1cccc2ccccc12)[N-]OCC(F)F ZINC000492564031 393754523 /nfs/dbraw/zinc/75/45/23/393754523.db2.gz NTSOPPFFLGMQLV-HJWRWDBZSA-N -1 3 277.270 3.166 20 0 CGADHM O=C(/C=C/c1ccsc1)Nc1cc(F)ccc1[O-] ZINC000492304030 393716797 /nfs/dbraw/zinc/71/67/97/393716797.db2.gz LJAONOOGBQXUHP-DAFODLJHSA-N -1 3 263.293 3.245 20 0 CGADHM CC[C@@]1(C)CN(C(=O)c2ccc(C(C)C)cc2[O-])CCO1 ZINC000443557800 393763938 /nfs/dbraw/zinc/76/39/38/393763938.db2.gz JWWIUQNJUOTBHG-KRWDZBQOSA-N -1 3 291.391 3.157 20 0 CGADHM CCOc1cc(-c2noc(C3=CCCC3)n2)ccc1[O-] ZINC000445429341 393793056 /nfs/dbraw/zinc/79/30/56/393793056.db2.gz ZQSOUKYQVIPNRF-UHFFFAOYSA-N -1 3 272.304 3.408 20 0 CGADHM Cc1ccc([O-])c(-c2nc(-c3cnn(C(C)(C)C)c3)no2)c1 ZINC000445638828 393813187 /nfs/dbraw/zinc/81/31/87/393813187.db2.gz ADBOSENOXKLSPX-UHFFFAOYSA-N -1 3 298.346 3.369 20 0 CGADHM Cc1cc(C(=O)NC/C=C\c2ccccc2)ccc1[O-] ZINC000500055554 393815491 /nfs/dbraw/zinc/81/54/91/393815491.db2.gz OXGVIEWFZLXAQC-YVMONPNESA-N -1 3 267.328 3.144 20 0 CGADHM [O-]c1ccc(F)c(CN2C[C@@H](C3CC3)[C@H]2C2CC2)c1F ZINC000449532150 393885539 /nfs/dbraw/zinc/88/55/39/393885539.db2.gz CTCHMIIKYDIGEE-MEDUHNTESA-N -1 3 279.330 3.291 20 0 CGADHM CCCC[C@@H](C)C(=O)Nc1ccc(C(=O)OCC)cc1[O-] ZINC000503511703 393901881 /nfs/dbraw/zinc/90/18/81/393901881.db2.gz FWSUEWHHTSMDSS-LLVKDONJSA-N -1 3 293.363 3.334 20 0 CGADHM O=C(CSC1CC1)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000450093181 393976678 /nfs/dbraw/zinc/97/66/78/393976678.db2.gz YKLYHOUQLLVSFA-UHFFFAOYSA-N -1 3 291.294 3.245 20 0 CGADHM CCCn1ncc(NC(=O)c2ccc([O-])c(C)c2)c1C1CC1 ZINC000452963317 394138095 /nfs/dbraw/zinc/13/80/95/394138095.db2.gz FMILIBWWJAFSOA-UHFFFAOYSA-N -1 3 299.374 3.437 20 0 CGADHM CCCc1cc(=O)[n-]c(C(=Cc2conc2C)CC)n1 ZINC000453025115 394147561 /nfs/dbraw/zinc/14/75/61/394147561.db2.gz LKJRXNBYMJQGLQ-YRNVUSSQSA-N -1 3 273.336 3.382 20 0 CGADHM CSc1ccc([O-])c(C(=O)N2C[C@H](C)S[C@@H](C)C2)c1 ZINC000669277731 543098813 /nfs/dbraw/zinc/09/88/13/543098813.db2.gz YUXJRRBEENKAMO-UWVGGRQHSA-N -1 3 297.445 3.080 20 0 CGADHM CC(C)c1ccc(C(=O)NC[C@H](C)c2ccncc2)c([O-])c1 ZINC000674136966 543273461 /nfs/dbraw/zinc/27/34/61/543273461.db2.gz PEHZNHKJPDFYMA-ZDUSSCGKSA-N -1 3 298.386 3.444 20 0 CGADHM O=C([O-])C[C@H]1CCCCN1Cc1nc2ccccc2s1 ZINC000038090492 397610223 /nfs/dbraw/zinc/61/02/23/397610223.db2.gz DTUDPGKKBPIHNN-LLVKDONJSA-N -1 3 290.388 3.126 20 0 CGADHM O=C([O-])C[C@@H]1CCCCN1Cc1nc2ccccc2s1 ZINC000038090493 397610362 /nfs/dbraw/zinc/61/03/62/397610362.db2.gz DTUDPGKKBPIHNN-NSHDSACASA-N -1 3 290.388 3.126 20 0 CGADHM CCN(Cc1cccc(C(=O)[O-])c1Cl)CC1CC1 ZINC000394514577 397695459 /nfs/dbraw/zinc/69/54/59/397695459.db2.gz BXXAYEABDZPQCC-UHFFFAOYSA-N -1 3 267.756 3.270 20 0 CGADHM C[C@@]1(c2cccc(F)c2)CCN(C(=O)c2ccccc2[O-])C1 ZINC000650224421 397803681 /nfs/dbraw/zinc/80/36/81/397803681.db2.gz MIVHKOUNXXGISV-GOSISDBHSA-N -1 3 299.345 3.335 20 0 CGADHM CCc1cc(=O)[n-]c(CN2CCC(C3CCCC3)CC2)n1 ZINC000675183626 543319610 /nfs/dbraw/zinc/31/96/10/543319610.db2.gz CHXJURAIXSRZTQ-UHFFFAOYSA-N -1 3 289.423 3.147 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)[C@@H]2CC23CCC3)c1[O-] ZINC000675414471 543338229 /nfs/dbraw/zinc/33/82/29/543338229.db2.gz UITFKDPQTDKQBG-JTQLQIEISA-N -1 3 265.740 3.483 20 0 CGADHM Cc1ccc(NC(=O)[C@@H]2CC23CCSCC3)c([O-])c1 ZINC000336231478 292155781 /nfs/dbraw/zinc/15/57/81/292155781.db2.gz MMOAHIYLMSZOMS-NSHDSACASA-N -1 3 277.389 3.172 20 0 CGADHM CCN(CCC(F)(F)F)C(=O)c1ccc(C)c(C)c1[O-] ZINC000677874740 543470148 /nfs/dbraw/zinc/47/01/48/543470148.db2.gz BOASFUBQTDWKPY-UHFFFAOYSA-N -1 3 289.297 3.424 20 0 CGADHM CC(C)c1ccc(C(=O)N[C@@H]2C[C@@H](C)O[C@@H](C)C2)c([O-])c1 ZINC000678155613 543489544 /nfs/dbraw/zinc/48/95/44/543489544.db2.gz YGROWIRXZWZOHF-DABQJJPHSA-N -1 3 291.391 3.201 20 0 CGADHM CCOc1ccc(NC(=O)c2ccc(C)cc2[O-])cc1F ZINC000059811317 286954427 /nfs/dbraw/zinc/95/44/27/286954427.db2.gz BSJITFSRINIJCS-UHFFFAOYSA-N -1 3 289.306 3.491 20 0 CGADHM CCc1nnc([N-]C(=O)c2cccc(F)c2Cl)s1 ZINC000079690860 287060018 /nfs/dbraw/zinc/06/00/18/287060018.db2.gz MJVCRTFQEUFTOH-UHFFFAOYSA-N -1 3 285.731 3.145 20 0 CGADHM O=C(Nc1ncccc1[O-])c1cccc(-c2ccoc2)c1 ZINC000089603949 287092360 /nfs/dbraw/zinc/09/23/60/287092360.db2.gz UPBAVGPOXZCALL-UHFFFAOYSA-N -1 3 280.283 3.300 20 0 CGADHM Cc1ccc(CN(C)C(=O)c2ccccc2[O-])s1 ZINC000076175424 165109961 /nfs/dbraw/zinc/10/99/61/165109961.db2.gz ZFAMFLKOTUVRPW-UHFFFAOYSA-N -1 3 261.346 3.034 20 0 CGADHM COc1ccccc1[C@H]1CCCN1Cc1nc(C)ccc1[O-] ZINC000093008132 165322038 /nfs/dbraw/zinc/32/20/38/165322038.db2.gz DAMIZCXTTXUHER-MRXNPFEDSA-N -1 3 298.386 3.441 20 0 CGADHM COc1ccc(CN(C)C(=O)c2cc(C)ccc2[O-])cc1C ZINC000103023914 287126072 /nfs/dbraw/zinc/12/60/72/287126072.db2.gz GSJAODWVQZQNDY-UHFFFAOYSA-N -1 3 299.370 3.290 20 0 CGADHM COc1cccc(-c2noc(-c3cccc(OC)c3[O-])n2)c1 ZINC000109037227 287127353 /nfs/dbraw/zinc/12/73/53/287127353.db2.gz DGDZSFVBJHSPJS-UHFFFAOYSA-N -1 3 298.298 3.126 20 0 CGADHM CCCC[C@H]1CCC[C@H]1NC(=O)c1ccc2n[n-]nc2c1 ZINC000110729237 287131764 /nfs/dbraw/zinc/13/17/64/287131764.db2.gz PJKYNPWLOFMGHA-WCQYABFASA-N -1 3 286.379 3.047 20 0 CGADHM COc1ccccc1-c1noc(-c2ccc(C)cc2[O-])n1 ZINC000109037284 287127562 /nfs/dbraw/zinc/12/75/62/287127562.db2.gz RLODULPKZQXQKV-UHFFFAOYSA-N -1 3 282.299 3.426 20 0 CGADHM Cc1ccccc1S(=O)(=O)[N-]c1ccc(F)cc1C ZINC000112333821 287140283 /nfs/dbraw/zinc/14/02/83/287140283.db2.gz HEHDUFRKQJABRD-UHFFFAOYSA-N -1 3 279.336 3.243 20 0 CGADHM CC(C)[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccccc1F ZINC000112674589 287143715 /nfs/dbraw/zinc/14/37/15/287143715.db2.gz RTWHRNBBLAURME-OCCSQVGLSA-N -1 3 299.411 3.319 20 0 CGADHM Cc1ccc(NC(=O)c2cc3ccccn3c2)c([O-])c1 ZINC000118760461 287162017 /nfs/dbraw/zinc/16/20/17/287162017.db2.gz KPNNMAWDRIPBLH-UHFFFAOYSA-N -1 3 266.300 3.206 20 0 CGADHM CCOc1ccccc1N(C)C(=O)c1cc(C)ccc1[O-] ZINC000121209440 287194808 /nfs/dbraw/zinc/19/48/08/287194808.db2.gz YJUSOIWZKVVUMD-UHFFFAOYSA-N -1 3 285.343 3.376 20 0 CGADHM CC(C)Cc1nc(C(=O)Nc2cccc([O-])c2F)cs1 ZINC000128188244 287305581 /nfs/dbraw/zinc/30/55/81/287305581.db2.gz LTZJVYPQDDAYFS-UHFFFAOYSA-N -1 3 294.351 3.439 20 0 CGADHM COc1ccc(C(F)(F)F)cc1-c1cncc([O-])c1 ZINC000065339627 175709848 /nfs/dbraw/zinc/70/98/48/175709848.db2.gz BULITDNXIYHZBT-UHFFFAOYSA-N -1 3 269.222 3.482 20 0 CGADHM CO[C@@](C)(C(=O)Nc1cccc([O-])c1F)c1ccccc1 ZINC000128409837 287310126 /nfs/dbraw/zinc/31/01/26/287310126.db2.gz BXXQQLVLHKESGF-MRXNPFEDSA-N -1 3 289.306 3.032 20 0 CGADHM O=C(Nc1cccc([O-])c1F)c1cc2ccccc2[nH]1 ZINC000128483752 287312244 /nfs/dbraw/zinc/31/22/44/287312244.db2.gz XHZJUGVHKTVPKU-UHFFFAOYSA-N -1 3 270.263 3.265 20 0 CGADHM CC(=O)[C@@H](C)CCCCC(=O)Nc1cccc([O-])c1F ZINC000129392755 287330585 /nfs/dbraw/zinc/33/05/85/287330585.db2.gz WPAPGCUHSSGPIF-JTQLQIEISA-N -1 3 281.327 3.255 20 0 CGADHM CCCCN(CC)Cc1ccc(C(=O)[O-])cc1F ZINC000062750685 416487047 /nfs/dbraw/zinc/48/70/47/416487047.db2.gz NXYGMQJQMDPUAY-UHFFFAOYSA-N -1 3 253.317 3.146 20 0 CGADHM CC(=O)c1ccc(C(=O)Nc2cccc(C)c2[O-])c(F)c1 ZINC000679111055 543591831 /nfs/dbraw/zinc/59/18/31/543591831.db2.gz YELLJSAVBIINCT-UHFFFAOYSA-N -1 3 287.290 3.295 20 0 CGADHM Cc1ccc([O-])c(CN2C[C@@H](C(F)(F)F)CC[C@H]2C)n1 ZINC000679583729 543650015 /nfs/dbraw/zinc/65/00/15/543650015.db2.gz FYSYAFBGGHEVLO-MNOVXSKESA-N -1 3 288.313 3.258 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2cc3cccc(F)c3o2)n1 ZINC000680321796 543696757 /nfs/dbraw/zinc/69/67/57/543696757.db2.gz XJZUBDGIISFPBX-UHFFFAOYSA-N -1 3 286.262 3.233 20 0 CGADHM CC1(C)c2ccccc2CCN1C(=O)c1cccc([O-])c1 ZINC000679644056 543652958 /nfs/dbraw/zinc/65/29/58/543652958.db2.gz MBPOSKCDCVCDGC-UHFFFAOYSA-N -1 3 281.355 3.326 20 0 CGADHM Cc1cc(NC(=O)c2cc(C)ccc2[O-])nn1[C@@H](C)C1CC1 ZINC000680043533 543679429 /nfs/dbraw/zinc/67/94/29/543679429.db2.gz HPFVAYBKCYNPTP-LBPRGKRZSA-N -1 3 299.374 3.429 20 0 CGADHM COc1cccc(C(=O)NC2(C)CCC(F)(F)CC2)c1[O-] ZINC000680047539 543679801 /nfs/dbraw/zinc/67/98/01/543679801.db2.gz OKANVASTDCWANG-UHFFFAOYSA-N -1 3 299.317 3.099 20 0 CGADHM Cc1ccc(-c2cc(-c3nc([C@H]4C[C@H]4C)no3)n[n-]2)o1 ZINC000680770022 543732831 /nfs/dbraw/zinc/73/28/31/543732831.db2.gz AORFKUQGQXCTOI-APPZFPTMSA-N -1 3 270.292 3.152 20 0 CGADHM Cc1ccc(-c2cc(-c3nc([C@H]4C[C@H]4C)no3)[n-]n2)o1 ZINC000680770022 543732835 /nfs/dbraw/zinc/73/28/35/543732835.db2.gz AORFKUQGQXCTOI-APPZFPTMSA-N -1 3 270.292 3.152 20 0 CGADHM O=C(CCc1ccc2ccccc2c1[O-])N1CC[C@@H](F)C1 ZINC000334846784 225334576 /nfs/dbraw/zinc/33/45/76/225334576.db2.gz PAASZGOILHJUFZ-CQSZACIVSA-N -1 3 287.334 3.048 20 0 CGADHM CCc1ccc(C(=O)N2CC(Cc3ccccc3)C2)c([O-])c1 ZINC000682527694 543851270 /nfs/dbraw/zinc/85/12/70/543851270.db2.gz UTIMARAWVYFPDH-UHFFFAOYSA-N -1 3 295.382 3.269 20 0 CGADHM Cc1cc(C)nc(S[C@@H](C)c2nc(C)cc(=O)[n-]2)c1 ZINC000682449366 543846990 /nfs/dbraw/zinc/84/69/90/543846990.db2.gz AHFDFAAIAIPXPM-NSHDSACASA-N -1 3 275.377 3.356 20 0 CGADHM CCCCOc1ccc(C(=O)NC2CC=CC2)c([O-])c1 ZINC000682808006 543870622 /nfs/dbraw/zinc/87/06/22/543870622.db2.gz DVBFCDBEKCGEAD-UHFFFAOYSA-N -1 3 275.348 3.020 20 0 CGADHM C[C@H]1C[C@H](C)N1Cc1cc([O-])ccc1Br ZINC000684412719 543996494 /nfs/dbraw/zinc/99/64/94/543996494.db2.gz ZSJIIPIGVSSIPV-IUCAKERBSA-N -1 3 270.170 3.137 20 0 CGADHM CCCOc1ccc(CNCc2ncccc2[O-])c(C)c1 ZINC000685429423 544069246 /nfs/dbraw/zinc/06/92/46/544069246.db2.gz YAAZRQREERZOAF-UHFFFAOYSA-N -1 3 286.375 3.174 20 0 CGADHM Cc1ccc(C(=O)NCc2ccc([O-])c(F)c2)cc1C ZINC000132943543 287413746 /nfs/dbraw/zinc/41/37/46/287413746.db2.gz KLLXYPBHPOXZTG-UHFFFAOYSA-N -1 3 273.307 3.078 20 0 CGADHM Cc1noc(C2CC2)c1NC(=O)c1ccc(C)c(C)c1[O-] ZINC000135592944 287472789 /nfs/dbraw/zinc/47/27/89/287472789.db2.gz VDMIGVNZLJQKLW-UHFFFAOYSA-N -1 3 286.331 3.435 20 0 CGADHM CC[C@@]1(C)CCN([C@H](C)c2cc(C)c(C(=O)[O-])o2)C1 ZINC000652431816 418968266 /nfs/dbraw/zinc/96/82/66/418968266.db2.gz PJKKHVYQVGXIQZ-ABAIWWIYSA-N -1 3 265.353 3.469 20 0 CGADHM CC(C)CC[C@H]1CCCN1Cc1nc(C(=O)[O-])cs1 ZINC000652436872 418968850 /nfs/dbraw/zinc/96/88/50/418968850.db2.gz HXKSGVQQENIYIS-LLVKDONJSA-N -1 3 282.409 3.242 20 0 CGADHM CC(C)c1nnc([N-][C@H](c2ccccc2)[C@@H](O)C(C)C)o1 ZINC000664529613 418973276 /nfs/dbraw/zinc/97/32/76/418973276.db2.gz CLNVBTUPEZHHCR-KGLIPLIRSA-N -1 3 289.379 3.363 20 0 CGADHM C[C@@H](NC(=O)c1ccc(O)cc1[O-])C1CCC(F)(F)CC1 ZINC000654252562 418946914 /nfs/dbraw/zinc/94/69/14/418946914.db2.gz CSZHVASUVCUOAB-SECBINFHSA-N -1 3 299.317 3.042 20 0 CGADHM CC1=CCC[C@@H](C)[C@@H]1CN[C@@H](C)c1nc(C(=O)[O-])cs1 ZINC000653508615 419039295 /nfs/dbraw/zinc/03/92/95/419039295.db2.gz NNVZBBVQDGTRQC-GRYCIOLGSA-N -1 3 294.420 3.484 20 0 CGADHM CCO[C@@H](CC)c1noc(-c2cccc(CC)c2[O-])n1 ZINC000665040960 419043659 /nfs/dbraw/zinc/04/36/59/419043659.db2.gz TUHDUPMSVYTWOL-LBPRGKRZSA-N -1 3 276.336 3.492 20 0 CGADHM Cc1cc(C(=O)N[C@@H]2C[C@H]2CC(C)(C)C)ccc1[O-] ZINC000652758225 418990049 /nfs/dbraw/zinc/99/00/49/418990049.db2.gz NGCUDINJIAFQHL-QWHCGFSZSA-N -1 3 261.365 3.255 20 0 CGADHM Cc1cc(C(=O)N[C@@H]2C[C@H]2c2ccccc2C)ccc1[O-] ZINC000652757624 418990578 /nfs/dbraw/zinc/99/05/78/418990578.db2.gz LUTVUYXWVCXJQM-JKSUJKDBSA-N -1 3 281.355 3.295 20 0 CGADHM CC(C)(C)C[C@@H]1C[C@H]1NC(=O)Cc1ccc([O-])c(F)c1 ZINC000652758175 418990712 /nfs/dbraw/zinc/99/07/12/418990712.db2.gz LBCHQDLAKQIGTL-WCQYABFASA-N -1 3 279.355 3.015 20 0 CGADHM Cc1cc(CN(C)C[C@H]2CCc3ccccc32)oc1C(=O)[O-] ZINC000659803026 418995249 /nfs/dbraw/zinc/99/52/49/418995249.db2.gz CUTAEOPVBBKGMH-CQSZACIVSA-N -1 3 299.370 3.448 20 0 CGADHM CCc1cc(C(=O)NC2CC3(CCC3)C2)ccc1[O-] ZINC000652969318 419004870 /nfs/dbraw/zinc/00/48/70/419004870.db2.gz WZNPMYKVVLPFAE-UHFFFAOYSA-N -1 3 259.349 3.017 20 0 CGADHM CC(C)c1ccc(C(=O)N2CCC[C@@H](F)C2)c([O-])c1 ZINC000653012912 419010865 /nfs/dbraw/zinc/01/08/65/419010865.db2.gz VJDQXZUCXSWANA-GFCCVEGCSA-N -1 3 265.328 3.090 20 0 CGADHM CC(=O)c1ccc(C(=O)N[C@H]2[C@H](C)CCC[C@@H]2C)cc1[O-] ZINC000665343214 419113359 /nfs/dbraw/zinc/11/33/59/419113359.db2.gz SEKMYXJKBWUSAC-CDMJZVDBSA-N -1 3 289.375 3.149 20 0 CGADHM O=C([O-])[C@H](CNCc1ccc(F)cc1Cl)C1CCC1 ZINC000665362016 419119570 /nfs/dbraw/zinc/11/95/70/419119570.db2.gz XWDXLANRRWFLHF-GFCCVEGCSA-N -1 3 285.746 3.070 20 0 CGADHM CCc1cccc(C(=O)N2CC[C@H](C3CCC3)C2)c1[O-] ZINC000665681525 419149181 /nfs/dbraw/zinc/14/91/81/419149181.db2.gz HUQOEEAWPGNEFW-AWEZNQCLSA-N -1 3 273.376 3.217 20 0 CGADHM CCc1ccccc1CCNC(C)(C)c1nc(C)cc(=O)[n-]1 ZINC000660749863 419189790 /nfs/dbraw/zinc/18/97/90/419189790.db2.gz RTUYNDOHWVNOEF-UHFFFAOYSA-N -1 3 299.418 3.120 20 0 CGADHM COc1cccc(CN2CC[C@@H](C)C[C@@H]2C(=O)[O-])c1Cl ZINC000656756721 419209420 /nfs/dbraw/zinc/20/94/20/419209420.db2.gz NSLYWPXKOUGKLB-ZYHUDNBSSA-N -1 3 297.782 3.034 20 0 CGADHM O=C([O-])c1ccc(CN2CC[C@@H](C3CCCCC3)C2)nc1 ZINC000656761063 419210452 /nfs/dbraw/zinc/21/04/52/419210452.db2.gz LGIXUCWJDNTCFV-OAHLLOKOSA-N -1 3 288.391 3.182 20 0 CGADHM CCCCN(CCCC)C(=O)c1ccc2[nH][n-]c(=O)c2c1 ZINC000666356759 419210637 /nfs/dbraw/zinc/21/06/37/419210637.db2.gz QSOXSRVPQNSEQC-UHFFFAOYSA-N -1 3 289.379 3.311 20 0 CGADHM CC(C)n1cc([C@@H](C)NCc2cccc(C(=O)[O-])c2)cn1 ZINC000666574308 419227146 /nfs/dbraw/zinc/22/71/46/419227146.db2.gz JWJOBVSOERVCAZ-GFCCVEGCSA-N -1 3 287.363 3.013 20 0 CGADHM CCc1c(C)sc2[n-]c(-c3cnc(C)cn3)nc(=O)c12 ZINC000663219221 419521509 /nfs/dbraw/zinc/52/15/09/419521509.db2.gz LLBGELRDKQXHEW-UHFFFAOYSA-N -1 3 286.360 3.033 20 0 CGADHM C[C@H](c1ccccc1F)N(C)C(=O)c1ccc(O)cc1[O-] ZINC000193229033 287605754 /nfs/dbraw/zinc/60/57/54/287605754.db2.gz JUWMGKAKDHATPU-SNVBAGLBSA-N -1 3 289.306 3.070 20 0 CGADHM C[C@H]1CCC[C@@H]1CC(=O)N1CCCc2cccc([O-])c21 ZINC000187725175 260233676 /nfs/dbraw/zinc/23/36/76/260233676.db2.gz MWHWPBVSDLHSCB-GXTWGEPZSA-N -1 3 273.376 3.498 20 0 CGADHM CCCOc1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000074983481 270042273 /nfs/dbraw/zinc/04/22/73/270042273.db2.gz LQRUIOOOTSYWSG-UHFFFAOYSA-N -1 3 291.372 3.276 20 0 CGADHM O=C(/C=C\c1ccccc1)Nc1ccc([O-])cc1F ZINC000218307009 265127306 /nfs/dbraw/zinc/12/73/06/265127306.db2.gz BQWBMCKTIQAAQT-TWGQIWQCSA-N -1 3 257.264 3.183 20 0 CGADHM Cc1ccc(-c2nnc(NC(=O)C[C@@H]3CCC[C@@H]3C)[n-]2)o1 ZINC000184038700 270057122 /nfs/dbraw/zinc/05/71/22/270057122.db2.gz IAFFKCHNBXMAMV-ONGXEEELSA-N -1 3 288.351 3.138 20 0 CGADHM Cc1ccc(-c2n[n-]c(NC(=O)C[C@@H]3CCC[C@@H]3C)n2)o1 ZINC000184038700 270057123 /nfs/dbraw/zinc/05/71/23/270057123.db2.gz IAFFKCHNBXMAMV-ONGXEEELSA-N -1 3 288.351 3.138 20 0 CGADHM Cc1ccc(-c2nc(NC(=O)C[C@@H]3CCC[C@@H]3C)n[n-]2)o1 ZINC000184038700 270057124 /nfs/dbraw/zinc/05/71/24/270057124.db2.gz IAFFKCHNBXMAMV-ONGXEEELSA-N -1 3 288.351 3.138 20 0 CGADHM Cc1ccc(NC(=O)CCc2cccc3c2OCO3)c([O-])c1 ZINC000184740488 270060194 /nfs/dbraw/zinc/06/01/94/270060194.db2.gz XXGMUZIAIUBAHM-UHFFFAOYSA-N -1 3 299.326 3.001 20 0 CGADHM [O-]c1cc(F)cc(CNCc2cc(-c3ccccc3)on2)c1 ZINC000185507393 270063053 /nfs/dbraw/zinc/06/30/53/270063053.db2.gz SRXOKFCRBJPPRS-UHFFFAOYSA-N -1 3 298.317 3.476 20 0 CGADHM CC(C)c1csc([N-]C(=O)c2ncc(F)cc2F)n1 ZINC000192097237 270077031 /nfs/dbraw/zinc/07/70/31/270077031.db2.gz PAULCNYXTQNULY-UHFFFAOYSA-N -1 3 283.303 3.192 20 0 CGADHM C[C@H]1CCC[C@H](N(C)C(=O)c2c[n-]c3ccccc3c2=O)C1 ZINC000193619486 270079604 /nfs/dbraw/zinc/07/96/04/270079604.db2.gz JQLWYCHXZAPYLX-STQMWFEESA-N -1 3 298.386 3.179 20 0 CGADHM C[C@@H]1CC[C@@H](C)N1Cc1c(Cl)cccc1C(=O)[O-] ZINC000521257062 270101399 /nfs/dbraw/zinc/10/13/99/270101399.db2.gz CNWKLGCTEYBDRN-NXEZZACHSA-N -1 3 267.756 3.411 20 0 CGADHM CO[C@H]1CCC[C@@H](CC(=O)Nc2cccc([O-])c2F)C1 ZINC000526009638 270122402 /nfs/dbraw/zinc/12/24/02/270122402.db2.gz VJYVCIANOHDYRP-MNOVXSKESA-N -1 3 281.327 3.065 20 0 CGADHM CC(C)(C)c1ccc(NC(=O)c2cnn(C3CC3)c2)c([O-])c1 ZINC000529278621 270179471 /nfs/dbraw/zinc/17/94/71/270179471.db2.gz NXJUYEVMLFYUKC-UHFFFAOYSA-N -1 3 299.374 3.473 20 0 CGADHM C[C@H](O[N-]C(=O)[C@@H]1[C@H](C)[C@H]1C1CC1)c1ccccc1 ZINC000529410031 270180470 /nfs/dbraw/zinc/18/04/70/270180470.db2.gz PQIBHQNDANHIKI-FDRIWYBQSA-N -1 3 259.349 3.088 20 0 CGADHM CCCCCN1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC000530169775 270195487 /nfs/dbraw/zinc/19/54/87/270195487.db2.gz ULXNTOVVCBXSLY-UHFFFAOYSA-N -1 3 265.328 3.072 20 0 CGADHM Cc1ccc(CN2CCc3occc3[C@@H]2C(=O)[O-])c(C)c1 ZINC000530166843 270195549 /nfs/dbraw/zinc/19/55/49/270195549.db2.gz RIHTUHWZXOYZDY-MRXNPFEDSA-N -1 3 285.343 3.080 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)[C@@H]2C[C@H]2C(C)C)c1-c1ccc(C)cc1 ZINC000530273847 270198133 /nfs/dbraw/zinc/19/81/33/270198133.db2.gz RLIAEIZVFRZRMS-LSDHHAIUSA-N -1 3 297.402 3.346 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)[C@H](C)C(C)C)c1-c1ccccc1F ZINC000530276755 270198318 /nfs/dbraw/zinc/19/83/18/270198318.db2.gz UFPUWACRROOGOK-SNVBAGLBSA-N -1 3 289.354 3.177 20 0 CGADHM Cc1ccccc1-c1cc(=NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)[nH][n-]1 ZINC000530712567 270202473 /nfs/dbraw/zinc/20/24/73/270202473.db2.gz JBQOMAFRCIBFFU-HALDLXJZSA-N -1 3 295.386 3.182 20 0 CGADHM CCc1cccc(OCC(=O)Nc2cc(F)ccc2[O-])c1 ZINC000531135058 270204231 /nfs/dbraw/zinc/20/42/31/270204231.db2.gz JVXYMJTYWNAEFB-UHFFFAOYSA-N -1 3 289.306 3.111 20 0 CGADHM CCc1cccc(C(=O)N[C@H](C)CNc2ccccc2)c1[O-] ZINC000531895614 270210548 /nfs/dbraw/zinc/21/05/48/270210548.db2.gz KWRZRTLZIFOXJD-CYBMUJFWSA-N -1 3 298.386 3.185 20 0 CGADHM CC(C)Oc1ccccc1CN1CCC[C@@H](CC(=O)[O-])C1 ZINC000533203056 270222292 /nfs/dbraw/zinc/22/22/92/270222292.db2.gz HENZOJULKCSJFF-AWEZNQCLSA-N -1 3 291.391 3.161 20 0 CGADHM C[C@H]1CCN(C(=O)[C@H]2[C@@H]3CCC[C@@H]32)c2c([O-])cccc21 ZINC000248695882 287779322 /nfs/dbraw/zinc/77/93/22/287779322.db2.gz CXWZRHJTZAREII-MUYACECFSA-N -1 3 271.360 3.279 20 0 CGADHM O=C(Nc1ccc(Cl)cc1[O-])c1cn2ccnc2s1 ZINC000442671496 274997094 /nfs/dbraw/zinc/99/70/94/274997094.db2.gz MKGWHBKHLIYHNA-UHFFFAOYSA-N -1 3 293.735 3.007 20 0 CGADHM CC(=O)c1ccc(C(=O)N2CCC[C@@H]2CC(C)C)cc1[O-] ZINC000331360802 277107343 /nfs/dbraw/zinc/10/73/43/277107343.db2.gz YGOGFLVECIDBRJ-CQSZACIVSA-N -1 3 289.375 3.246 20 0 CGADHM C[C@@H]1SCCN(Cc2cccc([O-])c2Cl)[C@H]1C ZINC000351622816 278072975 /nfs/dbraw/zinc/07/29/75/278072975.db2.gz FQPGUOQPWJAXSQ-UWVGGRQHSA-N -1 3 271.813 3.371 20 0 CGADHM C[C@H]1CCc2ccccc2[C@@H]1NC(=O)c1ccc(O)cc1[O-] ZINC000436711170 278388666 /nfs/dbraw/zinc/38/86/66/278388666.db2.gz DXLUWFLYUZGXCM-APPDUMDISA-N -1 3 297.354 3.151 20 0 CGADHM Cc1cc(C(=O)NC2(c3ccc(F)cc3)CC2)ccc1[O-] ZINC000499999648 278645321 /nfs/dbraw/zinc/64/53/21/278645321.db2.gz HZPVPQMFEYSXJQ-UHFFFAOYSA-N -1 3 285.318 3.259 20 0 CGADHM Cc1cc([C@H](C)NCc2cc(=O)[n-]c(C3CC3)n2)c(C)o1 ZINC000459396334 288088456 /nfs/dbraw/zinc/08/84/56/288088456.db2.gz CIVSRBJNUQTYAK-JTQLQIEISA-N -1 3 287.363 3.120 20 0 CGADHM CCN(C(=O)c1cccc2nn[n-]c21)c1cccc(C)c1C ZINC000526116189 288149709 /nfs/dbraw/zinc/14/97/09/288149709.db2.gz SJUSCBLWNSCNLH-UHFFFAOYSA-N -1 3 294.358 3.241 20 0 CGADHM CCN(C(=O)c1cccc2[n-]nnc21)c1cccc(C)c1C ZINC000526116189 288149710 /nfs/dbraw/zinc/14/97/10/288149710.db2.gz SJUSCBLWNSCNLH-UHFFFAOYSA-N -1 3 294.358 3.241 20 0 CGADHM CCN(C(=O)c1cccc2n[n-]nc21)c1cccc(C)c1C ZINC000526116189 288149711 /nfs/dbraw/zinc/14/97/11/288149711.db2.gz SJUSCBLWNSCNLH-UHFFFAOYSA-N -1 3 294.358 3.241 20 0 CGADHM Cc1ccc(NC(=O)c2conc2C(C)C)c([O-])c1 ZINC000527659332 288183893 /nfs/dbraw/zinc/18/38/93/288183893.db2.gz QIHLIBNMZXALKW-UHFFFAOYSA-N -1 3 260.293 3.064 20 0 CGADHM O=C([N-]c1c(F)cc(F)cc1F)c1occ2c1CCOC2 ZINC000335728185 280003547 /nfs/dbraw/zinc/00/35/47/280003547.db2.gz JXLDGPWROYJWBF-UHFFFAOYSA-N -1 3 297.232 3.022 20 0 CGADHM O=C([C@@H]1CC[C@H]2C[C@H]2C1)N1CCCc2cccc([O-])c21 ZINC000403857011 280099020 /nfs/dbraw/zinc/09/90/20/280099020.db2.gz VBPNSJNZSLVSMW-MJBXVCDLSA-N -1 3 271.360 3.108 20 0 CGADHM CCc1ccc(C(=O)N2CCC(F)(F)C[C@@H]2C)c([O-])c1 ZINC000530008376 288283100 /nfs/dbraw/zinc/28/31/00/288283100.db2.gz HDBIPCJLGXTZIG-JTQLQIEISA-N -1 3 283.318 3.214 20 0 CGADHM Cc1cc(C)cc(CN2CCc3occc3[C@@H]2C(=O)[O-])c1 ZINC000530171640 288292085 /nfs/dbraw/zinc/29/20/85/288292085.db2.gz YPBFHIISEBTMEZ-MRXNPFEDSA-N -1 3 285.343 3.080 20 0 CGADHM C[C@H]1CC(C(=O)[O-])C[C@H](C)N1Cc1ccccc1Cl ZINC000530174577 288293546 /nfs/dbraw/zinc/29/35/46/288293546.db2.gz LWRUIDRQSMALOA-QWRGUYRKSA-N -1 3 281.783 3.414 20 0 CGADHM Cc1ccc2c(c1)nc(-c1cc([O-])cc(F)c1)n2C ZINC000471434698 281130656 /nfs/dbraw/zinc/13/06/56/281130656.db2.gz FDINEIWYUYPHDE-UHFFFAOYSA-N -1 3 256.280 3.393 20 0 CGADHM Cc1ccc(NC(=O)c2ccc(C3CC3)cn2)c([O-])c1 ZINC000531039893 288326281 /nfs/dbraw/zinc/32/62/81/288326281.db2.gz FMVARFJEBHIUGZ-UHFFFAOYSA-N -1 3 268.316 3.225 20 0 CGADHM Cc1ccn2cc(-c3nc(-c4ccc([O-])cc4)no3)nc2c1 ZINC000436770933 281435696 /nfs/dbraw/zinc/43/56/96/281435696.db2.gz VZGRVLUUUMILQO-UHFFFAOYSA-N -1 3 292.298 3.065 20 0 CGADHM CCc1cccc(C(=O)N(Cc2ccccn2)C2CC2)c1[O-] ZINC000539849288 288635136 /nfs/dbraw/zinc/63/51/36/288635136.db2.gz DNQLLJARQQEOLC-UHFFFAOYSA-N -1 3 296.370 3.154 20 0 CGADHM CCc1cccc(C(=O)N2CCc3cccc(F)c32)c1[O-] ZINC000539864241 288635797 /nfs/dbraw/zinc/63/57/97/288635797.db2.gz NWMLAHVEEJKMDR-UHFFFAOYSA-N -1 3 285.318 3.297 20 0 CGADHM Cc1cc(C(=O)Nc2ccc(Br)cc2[O-])co1 ZINC000547705511 288971442 /nfs/dbraw/zinc/97/14/42/288971442.db2.gz LDMYVAXGNLBVEQ-UHFFFAOYSA-N -1 3 296.120 3.308 20 0 CGADHM [O-]c1ccc(F)c(CNCC(C2CC2)C2CC2)c1F ZINC000552002524 289147317 /nfs/dbraw/zinc/14/73/17/289147317.db2.gz PGLTWKRYVHZQHF-UHFFFAOYSA-N -1 3 267.319 3.196 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CCc3cccc(C)c32)c1 ZINC000552422853 289187746 /nfs/dbraw/zinc/18/77/46/289187746.db2.gz FPQKFTVGLSAHQF-UHFFFAOYSA-N -1 3 281.355 3.466 20 0 CGADHM Cc1csc(C(=O)N=c2cc3ccccn3[n-]2)c1Cl ZINC000553332154 289219889 /nfs/dbraw/zinc/21/98/89/289219889.db2.gz NXLGBDJKJIPGNR-UHFFFAOYSA-N -1 3 291.763 3.032 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2ccccc2CN(C)C)c1 ZINC000556932179 289423374 /nfs/dbraw/zinc/42/33/74/289423374.db2.gz RZKYTHRDDDJQQS-UHFFFAOYSA-N -1 3 298.386 3.269 20 0 CGADHM CCc1cccc(C(=O)N2CCC=C(c3ccco3)C2)c1[O-] ZINC000557349687 289438018 /nfs/dbraw/zinc/43/80/18/289438018.db2.gz YNONHZXWYGDBIF-UHFFFAOYSA-N -1 3 297.354 3.477 20 0 CGADHM Cc1ccc(CCC(=O)Nc2cccc([O-])c2F)s1 ZINC000562346253 289694843 /nfs/dbraw/zinc/69/48/43/289694843.db2.gz NGLGJZBKOOHTLV-UHFFFAOYSA-N -1 3 279.336 3.473 20 0 CGADHM COc1cccc(C(=O)N2C[C@H](C)[C@H]3CCCC[C@@H]32)c1[O-] ZINC000180549756 295287391 /nfs/dbraw/zinc/28/73/91/295287391.db2.gz HGZGAUOKSDRVDV-SCRDCRAPSA-N -1 3 289.375 3.052 20 0 CGADHM Cc1cc([N-]C(=O)[C@H](C)N2C[C@@H](C)[C@@H]2c2ccccc2)on1 ZINC000245420713 301358942 /nfs/dbraw/zinc/35/89/42/301358942.db2.gz HRIMDPKBFLQXOA-PVXIVEMSSA-N -1 3 299.374 3.003 20 0 CGADHM Cc1ccc(C(=O)N2CCCC[C@H]2c2cc[nH]n2)c([O-])c1C ZINC000286153504 301500779 /nfs/dbraw/zinc/50/07/79/301500779.db2.gz YMLOJXLSCGTNJT-HNNXBMFYSA-N -1 3 299.374 3.100 20 0 CGADHM COc1ccc(CN[C@H](C)[C@@H](C(=O)[O-])C(C)C)c(Cl)c1 ZINC000424612545 533698343 /nfs/dbraw/zinc/69/83/43/533698343.db2.gz AGLGGPQBECBDFW-YGRLFVJLSA-N -1 3 299.798 3.184 20 0 CGADHM CC(C)C[C@@H]1C[C@H]1C(=O)Nc1ccc([O-])cc1F ZINC000388042891 327829155 /nfs/dbraw/zinc/82/91/55/327829155.db2.gz RBOHMCVCHUDCCO-MWLCHTKSSA-N -1 3 251.301 3.152 20 0 CGADHM O=C(Cc1ccc(F)cc1)Nc1ccc(Cl)cc1[O-] ZINC000153584806 321722613 /nfs/dbraw/zinc/72/26/13/321722613.db2.gz AIYHGYIUSJMOFG-UHFFFAOYSA-N -1 3 279.698 3.366 20 0 CGADHM CCc1ncc(C(=O)[N-]c2c(C)noc2C2CC2)s1 ZINC000156712178 321785378 /nfs/dbraw/zinc/78/53/78/321785378.db2.gz BVGYJMQFYIEGPZ-UHFFFAOYSA-N -1 3 277.349 3.132 20 0 CGADHM Cc1noc(C2CC2)c1[N-]C(=O)c1cc(Cl)ccn1 ZINC000159065842 321827954 /nfs/dbraw/zinc/82/79/54/321827954.db2.gz BBCHQZVPFDNWIA-UHFFFAOYSA-N -1 3 277.711 3.161 20 0 CGADHM O=C([O-])[C@@H]1CC12CCN([C@@H]1C=CCCCCC1)CC2 ZINC000405331200 321971036 /nfs/dbraw/zinc/97/10/36/321971036.db2.gz CAIWZXMETRVRIH-KGLIPLIRSA-N -1 3 263.381 3.062 20 0 CGADHM Cc1ccccc1NC(=O)c1c[n-]c2c(C)cccc2c1=O ZINC000563757871 322008773 /nfs/dbraw/zinc/00/87/73/322008773.db2.gz WJRUNKACPUDREE-UHFFFAOYSA-N -1 3 292.338 3.397 20 0 CGADHM C[C@H](c1cccc(Cl)c1)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000563886747 322013986 /nfs/dbraw/zinc/01/39/86/322013986.db2.gz XTCUETPCXKZNFB-JTNHKYCSSA-N -1 3 281.783 3.444 20 0 CGADHM O=C([O-])CCCCCN1CCc2cc(Cl)ccc2C1 ZINC000564092766 322020197 /nfs/dbraw/zinc/02/01/97/322020197.db2.gz KZQJIZSOUBIORT-UHFFFAOYSA-N -1 3 281.783 3.343 20 0 CGADHM CCCC1(CNC(=O)c2c[n-]nc2-c2ccccn2)CCC1 ZINC000564382045 322029128 /nfs/dbraw/zinc/02/91/28/322029128.db2.gz RXEVVCGYPBXFQU-UHFFFAOYSA-N -1 3 298.390 3.172 20 0 CGADHM [O-]c1cccnc1CN1CCC[C@@H]1c1ccccc1 ZINC000564686475 322038815 /nfs/dbraw/zinc/03/88/15/322038815.db2.gz IVFSRUZNYXHHMH-OAHLLOKOSA-N -1 3 254.333 3.124 20 0 CGADHM CCOC1(C)CCN([C@@H](C)c2cc(C)c(C(=O)[O-])o2)CC1 ZINC000564739166 322041553 /nfs/dbraw/zinc/04/15/53/322041553.db2.gz CTNLRLJIBHEVJQ-LBPRGKRZSA-N -1 3 295.379 3.238 20 0 CGADHM C[C@H]1CC[C@H](C(=O)Nc2ccc([O-])cc2F)CC1 ZINC000566337987 322116808 /nfs/dbraw/zinc/11/68/08/322116808.db2.gz SOKLWGBDORKIAG-MGCOHNPYSA-N -1 3 251.301 3.296 20 0 CGADHM O=C(NCCCC1CCCCC1)c1cccc2nn[n-]c21 ZINC000566756805 322137229 /nfs/dbraw/zinc/13/72/29/322137229.db2.gz IWEXXVMHXNNQLZ-UHFFFAOYSA-N -1 3 286.379 3.048 20 0 CGADHM O=C(NCCCC1CCCCC1)c1cccc2[n-]nnc21 ZINC000566756805 322137231 /nfs/dbraw/zinc/13/72/31/322137231.db2.gz IWEXXVMHXNNQLZ-UHFFFAOYSA-N -1 3 286.379 3.048 20 0 CGADHM O=C(NCCCC1CCCCC1)c1cccc2n[n-]nc21 ZINC000566756805 322137232 /nfs/dbraw/zinc/13/72/32/322137232.db2.gz IWEXXVMHXNNQLZ-UHFFFAOYSA-N -1 3 286.379 3.048 20 0 CGADHM CN(Cc1c(Cl)cccc1C(=O)[O-])CC1CCC1 ZINC000568061114 322190571 /nfs/dbraw/zinc/19/05/71/322190571.db2.gz ZMUKMAIIEBYHLE-UHFFFAOYSA-N -1 3 267.756 3.270 20 0 CGADHM CCC(C)(C)[C@H]1CCCN1Cc1noc(C)c1C(=O)[O-] ZINC000568520581 322212452 /nfs/dbraw/zinc/21/24/52/322212452.db2.gz HIDGRFFBJJCXHV-GFCCVEGCSA-N -1 3 280.368 3.082 20 0 CGADHM O=C(Nc1ccc(C2CCC2)cn1)c1c([O-])cccc1O ZINC000568593251 322214753 /nfs/dbraw/zinc/21/47/53/322214753.db2.gz PYZXXXLLOPTEFW-UHFFFAOYSA-N -1 3 284.315 3.013 20 0 CGADHM O=C([O-])C[C@@H]1CCCN(CCc2ccc(F)cc2Cl)C1 ZINC000568604895 322215055 /nfs/dbraw/zinc/21/50/55/322215055.db2.gz HFWFFTSUXOAGHD-NSHDSACASA-N -1 3 299.773 3.208 20 0 CGADHM CC(C)CCc1nc(CNC2(C(=O)[O-])CCCC2)cs1 ZINC000568943546 322228610 /nfs/dbraw/zinc/22/86/10/322228610.db2.gz SNKFIFALOYDDFL-UHFFFAOYSA-N -1 3 296.436 3.219 20 0 CGADHM [O-]c1cccnc1CN1CC=C(c2ccc(F)cc2)CC1 ZINC000568981979 322230185 /nfs/dbraw/zinc/23/01/85/322230185.db2.gz YNAGESUYUOJWLB-UHFFFAOYSA-N -1 3 284.334 3.216 20 0 CGADHM CC1([C@H](NCc2cccc(F)c2F)C(=O)[O-])CCCCC1 ZINC000569061933 322233024 /nfs/dbraw/zinc/23/30/24/322233024.db2.gz MNJTUKOMQMGKDK-CQSZACIVSA-N -1 3 297.345 3.478 20 0 CGADHM [O-]c1cccnc1CN1CCC(c2ccccc2F)CC1 ZINC000569410233 322246513 /nfs/dbraw/zinc/24/65/13/322246513.db2.gz NBIUXTXDMLBKBV-UHFFFAOYSA-N -1 3 286.350 3.306 20 0 CGADHM C[C@@H](CN(Cc1ccc(Cl)s1)C1CC1)C(=O)[O-] ZINC000570456638 322274001 /nfs/dbraw/zinc/27/40/01/322274001.db2.gz HNXOAYFSHRBBIF-QMMMGPOBSA-N -1 3 273.785 3.087 20 0 CGADHM Cc1cccc2cc(C(=O)NCc3ncccc3[O-])sc21 ZINC000570762292 322281611 /nfs/dbraw/zinc/28/16/11/322281611.db2.gz QXFCNGOFKUWMFO-UHFFFAOYSA-N -1 3 298.367 3.240 20 0 CGADHM CC[C@@H](C)[C@@H](OC)C(=O)Nc1c([O-])cccc1Cl ZINC000571178146 322292366 /nfs/dbraw/zinc/29/23/66/322292366.db2.gz XSLMIHXRSVWJHB-PRHODGIISA-N -1 3 271.744 3.045 20 0 CGADHM CC(C)C(C)(C)NC(=O)c1cc([O-])ccc1Cl ZINC000572785728 322355306 /nfs/dbraw/zinc/35/53/06/322355306.db2.gz YZAZNFLCRGGIRR-UHFFFAOYSA-N -1 3 255.745 3.210 20 0 CGADHM CC[C@H](C)[C@H](C)C(=O)N=c1[nH][n-]c(C)c1-c1ccccc1 ZINC000573001617 322365760 /nfs/dbraw/zinc/36/57/60/322365760.db2.gz QBXGHXPNJLTQTH-RYUDHWBXSA-N -1 3 285.391 3.428 20 0 CGADHM C[C@H](NC(=O)Cc1cncc([O-])c1)[C@@H](C)C1CCCCC1 ZINC000574219820 322430337 /nfs/dbraw/zinc/43/03/37/322430337.db2.gz UGZJJYFMFXDDRE-OLZOCXBDSA-N -1 3 290.407 3.051 20 0 CGADHM COc1cccc(C(=O)Nc2c([O-])cccc2Cl)c1F ZINC000576031504 322501474 /nfs/dbraw/zinc/50/14/74/322501474.db2.gz AEFSBLMAAOFEDK-UHFFFAOYSA-N -1 3 295.697 3.446 20 0 CGADHM C[C@@H]1CCCN1[C@H](C(=O)[O-])c1ccccc1C(F)(F)F ZINC000584118773 327043066 /nfs/dbraw/zinc/04/30/66/327043066.db2.gz LBOUJHIJWDUIIF-SKDRFNHKSA-N -1 3 287.281 3.315 20 0 CGADHM CCC[C@@]1(C)CCCN([C@H](C)c2nc(C)cc(=O)[n-]2)C1 ZINC000583421167 327355570 /nfs/dbraw/zinc/35/55/70/327355570.db2.gz MBQZRNDBUKQXFJ-CJNGLKHVSA-N -1 3 277.412 3.454 20 0 CGADHM Cc1ccccc1CN(C)Cc1csc(C(=O)[O-])c1 ZINC000582490701 329097384 /nfs/dbraw/zinc/09/73/84/329097384.db2.gz LBUREKNUACCCFW-UHFFFAOYSA-N -1 3 275.373 3.387 20 0 CGADHM CCc1ccc2nccc(N3CC[C@@H](C(=O)[O-])[C@@H]3C)c2c1 ZINC000582668942 329122388 /nfs/dbraw/zinc/12/23/88/329122388.db2.gz QTLHAIFNQZWKEA-WCQYABFASA-N -1 3 284.359 3.097 20 0 CGADHM CSCCCCC(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000583027023 329304286 /nfs/dbraw/zinc/30/42/86/329304286.db2.gz UUENHVJTMGFJDL-UHFFFAOYSA-N -1 3 281.377 3.067 20 0 CGADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H]3C[C@H]4C[C@H]4C3)nc2)n1 ZINC000583748920 329472599 /nfs/dbraw/zinc/47/25/99/329472599.db2.gz LGWDYOGDLVCEHB-DABQJJPHSA-N -1 3 296.374 3.017 20 0 CGADHM CCc1noc(C)c1[N-]C(=O)c1ccoc1Cl ZINC000192347112 335106793 /nfs/dbraw/zinc/10/67/93/335106793.db2.gz NSCWTPQVUPFBJR-UHFFFAOYSA-N -1 3 254.673 3.044 20 0 CGADHM Cc1cccc(O[C@@H](C)C(=O)Nc2cc(F)ccc2[O-])c1 ZINC000174872252 335168108 /nfs/dbraw/zinc/16/81/08/335168108.db2.gz WQVILGGMMRSIAV-NSHDSACASA-N -1 3 289.306 3.246 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])[C@@H]1C[C@]12CCc1ccccc12 ZINC000174898660 335168979 /nfs/dbraw/zinc/16/89/79/335168979.db2.gz YUNDOOUCCKIUMR-KSSFIOAISA-N -1 3 297.329 3.374 20 0 CGADHM Cc1ccc(OCC(=O)Nc2cc(F)ccc2[O-])cc1C ZINC000174904612 335169174 /nfs/dbraw/zinc/16/91/74/335169174.db2.gz HATKFQSFDCLGOQ-UHFFFAOYSA-N -1 3 289.306 3.166 20 0 CGADHM O=C(Nc1ncccc1[O-])c1ccc(N2CCCCC2)cc1 ZINC000175278943 335178837 /nfs/dbraw/zinc/17/88/37/335178837.db2.gz RWCJFBILQVALDQ-UHFFFAOYSA-N -1 3 297.358 3.030 20 0 CGADHM C[C@@H]1CCCN1Cc1cc(Br)ccc1C(=O)[O-] ZINC000576879965 335259782 /nfs/dbraw/zinc/25/97/82/335259782.db2.gz KRERESBUAYLDAJ-SECBINFHSA-N -1 3 298.180 3.132 20 0 CGADHM CC[C@]1(C)CCCN([C@@H](C)c2nc(C)cc(=O)[n-]2)C1 ZINC000192605746 335286268 /nfs/dbraw/zinc/28/62/68/335286268.db2.gz RGZMKWPYLWIZTK-SWLSCSKDSA-N -1 3 263.385 3.064 20 0 CGADHM Cc1ccc([O-])c(CN2CC[C@](F)(c3ccccc3)C2)n1 ZINC000577080340 335296789 /nfs/dbraw/zinc/29/67/89/335296789.db2.gz IVLXHKOXCONDDJ-QGZVFWFLSA-N -1 3 286.350 3.166 20 0 CGADHM C[C@@H](c1ccc(F)cc1)N(C)C(=O)c1ccc(O)cc1[O-] ZINC000192940742 335324255 /nfs/dbraw/zinc/32/42/55/335324255.db2.gz NQEYJBNNBCUVSJ-JTQLQIEISA-N -1 3 289.306 3.070 20 0 CGADHM Cc1cccc(C)c1CN[C@H](CC(=O)[O-])c1ccncc1 ZINC000577509237 335362262 /nfs/dbraw/zinc/36/22/62/335362262.db2.gz BVLYARPMBAVHLF-MRXNPFEDSA-N -1 3 284.359 3.004 20 0 CGADHM O=C(Nc1ccccc1[O-])[C@@H]1COCC[C@@H]1c1ccccc1 ZINC000577722964 335392259 /nfs/dbraw/zinc/39/22/59/335392259.db2.gz WMUFCOSXBZMFIM-HUUCEWRRSA-N -1 3 297.354 3.151 20 0 CGADHM CC[C@@H](N)C(=O)Nc1c([O-])c(Cl)cc(Cl)c1Cl ZINC000577731523 335393852 /nfs/dbraw/zinc/39/38/52/335393852.db2.gz DIMJJCBULCYRHI-ZCFIWIBFSA-N -1 3 297.569 3.028 20 0 CGADHM O=C(CCc1cscn1)Nc1ccc(Cl)cc1[O-] ZINC000179196144 335480324 /nfs/dbraw/zinc/48/03/24/335480324.db2.gz UPVNUXLKJUDJPH-UHFFFAOYSA-N -1 3 282.752 3.073 20 0 CGADHM Cc1cccc([O-])c1NC(=O)c1ccc(F)c(C)c1 ZINC000179549706 335500089 /nfs/dbraw/zinc/50/00/89/335500089.db2.gz YGQKENPFFXNHOT-UHFFFAOYSA-N -1 3 259.280 3.400 20 0 CGADHM C[C@H]1C[C@@H]1c1noc(C(=O)[N-]c2ccc(Cl)c(F)c2)n1 ZINC000350407015 335504434 /nfs/dbraw/zinc/50/44/34/335504434.db2.gz MUZMTRPFBNTJBF-XPUUQOCRSA-N -1 3 295.701 3.238 20 0 CGADHM [O-]c1c(-c2nc(-c3ccsn3)no2)ccc2c1CCCC2 ZINC000578153423 335531743 /nfs/dbraw/zinc/53/17/43/335531743.db2.gz WBHGZVPFPRCYJR-UHFFFAOYSA-N -1 3 299.355 3.445 20 0 CGADHM Clc1cccc(-c2nc(-c3ccc4n[n-]nc4c3)no2)c1 ZINC000578591013 335651936 /nfs/dbraw/zinc/65/19/36/335651936.db2.gz NHWQJXCNVBQMSL-UHFFFAOYSA-N -1 3 297.705 3.328 20 0 CGADHM O=S(=O)(Cc1ccc(Cl)cc1)c1cccc([O-])c1 ZINC000183992188 335914623 /nfs/dbraw/zinc/91/46/23/335914623.db2.gz ZEFLZRDDCURGRJ-UHFFFAOYSA-N -1 3 282.748 3.020 20 0 CGADHM COC(=O)c1coc(C(=O)[N-]c2cc(F)ccc2Cl)c1 ZINC000184665960 335931129 /nfs/dbraw/zinc/93/11/29/335931129.db2.gz CEBPCUZYIUEWOM-UHFFFAOYSA-N -1 3 297.669 3.111 20 0 CGADHM Cc1ccccc1[C@@H]1CCCN1Cc1oncc1C(=O)[O-] ZINC000581195433 336023081 /nfs/dbraw/zinc/02/30/81/336023081.db2.gz DQHJRKOHORSKSO-AWEZNQCLSA-N -1 3 286.331 3.018 20 0 CGADHM C[C@@H]1CC2(CCC2)CN1Cc1csc(C(=O)[O-])c1 ZINC000581671937 336126025 /nfs/dbraw/zinc/12/60/25/336126025.db2.gz OCJVZSXGIHIDLC-SNVBAGLBSA-N -1 3 265.378 3.211 20 0 CGADHM C[C@H]1CC[C@@](CNCc2c(F)cccc2F)(CC(=O)[O-])C1 ZINC000426628591 533729046 /nfs/dbraw/zinc/72/90/46/533729046.db2.gz NGHBUNGHXJNZPD-ZBEGNZNMSA-N -1 3 297.345 3.336 20 0 CGADHM Cc1ccc(CN[C@H](C(=O)[O-])c2ccc(F)cc2)cc1C ZINC000426765906 534085656 /nfs/dbraw/zinc/08/56/56/534085656.db2.gz UINCRRZOUXYYTR-INIZCTEOSA-N -1 3 287.334 3.358 20 0 CGADHM C[C@H]1Cc2ccccc2[C@H]1NC(=O)Cc1ccc([O-])c(F)c1 ZINC000448961737 534115396 /nfs/dbraw/zinc/11/53/96/534115396.db2.gz NTLAPEQHGQTFIY-VOJFVSQTSA-N -1 3 299.345 3.124 20 0 CGADHM Cc1ccc(-c2nc(-c3nccc4[nH]ccc43)no2)c([O-])c1 ZINC000436521692 534205085 /nfs/dbraw/zinc/20/50/85/534205085.db2.gz OIPJLDAUKRGCRV-UHFFFAOYSA-N -1 3 292.298 3.294 20 0 CGADHM CC(C)(C)c1nc(C[S@@](=O)c2ccc([O-])cc2)cs1 ZINC000108083323 519103237 /nfs/dbraw/zinc/10/32/37/519103237.db2.gz YNYXUXZXRBWSAP-IBGZPJMESA-N -1 3 295.429 3.454 20 0 CGADHM CC(C)CN(C(=O)c1ccccc1[O-])C1CCCC1 ZINC000083945957 519707375 /nfs/dbraw/zinc/70/73/75/519707375.db2.gz ZSICAXPLAGBVNS-UHFFFAOYSA-N -1 3 261.365 3.433 20 0 CGADHM [O-]c1cccnc1CNCc1ccc(C(F)(F)F)s1 ZINC000355277728 534456746 /nfs/dbraw/zinc/45/67/46/534456746.db2.gz JLYOGFCQTLPZCT-UHFFFAOYSA-N -1 3 288.294 3.157 20 0 CGADHM CCO[C@H](C)C(=O)Nc1cc(Cc2ccccc2)ccc1[O-] ZINC000081459869 520467308 /nfs/dbraw/zinc/46/73/08/520467308.db2.gz NPWUFRHQVUJSRC-CYBMUJFWSA-N -1 3 299.370 3.347 20 0 CGADHM O=C([O-])[C@@H](NCc1ccc(F)c(Cl)c1)c1ccsc1 ZINC000426792959 534514890 /nfs/dbraw/zinc/51/48/90/534514890.db2.gz OKDKASREPHZSBQ-LBPRGKRZSA-N -1 3 299.754 3.456 20 0 CGADHM O=C([O-])[C@@H]1CC[C@H](NCc2cccc(Cl)c2Cl)C1 ZINC000424616523 534525119 /nfs/dbraw/zinc/52/51/19/534525119.db2.gz JSBRNZMFUOUASO-SCZZXKLOSA-N -1 3 288.174 3.336 20 0 CGADHM CCC[C@H](NCc1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000087761456 521163357 /nfs/dbraw/zinc/16/33/57/521163357.db2.gz GUBMMVNINWUGLY-NSHDSACASA-N -1 3 276.163 3.336 20 0 CGADHM Cc1cccc(C(=O)N2[C@H](C)C[C@@H]3CCCC[C@@H]32)c1[O-] ZINC000173050961 534598606 /nfs/dbraw/zinc/59/86/06/534598606.db2.gz LNGCJTQZCXGMTC-IPYPFGDCSA-N -1 3 273.376 3.494 20 0 CGADHM Cc1cccc(C(=O)Nc2cccc3ccn(C)c32)c1[O-] ZINC000436889784 534626960 /nfs/dbraw/zinc/62/69/60/534626960.db2.gz ZPGJVLITWJYZIH-UHFFFAOYSA-N -1 3 280.327 3.445 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)N(Cc1ccccc1)C1CC1 ZINC000448637845 534700050 /nfs/dbraw/zinc/70/00/50/534700050.db2.gz GHHKBRBCCQUICL-UHFFFAOYSA-N -1 3 299.345 3.265 20 0 CGADHM COc1ccc([O-])c(C(=O)N(CC(C)C)C2CCCC2)c1 ZINC000083946044 524723533 /nfs/dbraw/zinc/72/35/33/524723533.db2.gz PDTCIDVQFBSKPP-UHFFFAOYSA-N -1 3 291.391 3.442 20 0 CGADHM O=C(CC(F)(F)F)[N-][C@@H](C1CCCC1)C(F)(F)F ZINC000177630582 534814715 /nfs/dbraw/zinc/81/47/15/534814715.db2.gz KYYRGVUIIQUUGF-QMMMGPOBSA-N -1 3 277.208 3.176 20 0 CGADHM Cc1ccc(-c2ncco2)cc1NC(=O)[N-]OCC(C)C ZINC000089316807 525837284 /nfs/dbraw/zinc/83/72/84/525837284.db2.gz UGEWXMCYBPFEPH-UHFFFAOYSA-N -1 3 289.335 3.359 20 0 CGADHM CC(=O)c1cccc(NC(=O)/C=C/C(C)(C)C)c1[O-] ZINC000493020081 534889484 /nfs/dbraw/zinc/88/94/84/534889484.db2.gz GRFIYCYUIUHGSF-CMDGGOBGSA-N -1 3 261.321 3.136 20 0 CGADHM CC(=O)c1cccc(NC(=O)C=Cc2ccsc2)c1[O-] ZINC000492938637 534889661 /nfs/dbraw/zinc/88/96/61/534889661.db2.gz AQUCAMJGPSESHV-AATRIKPKSA-N -1 3 287.340 3.308 20 0 CGADHM CC(=O)c1cccc(NC(=O)CC(C)(C)C2CC2)c1[O-] ZINC000516184019 534890519 /nfs/dbraw/zinc/89/05/19/534890519.db2.gz GJKWJWZDPUQFJC-UHFFFAOYSA-N -1 3 275.348 3.360 20 0 CGADHM CC(C)(C)[C@H]1CCCN(C(=O)c2cccc([O-])c2)C1 ZINC000358309063 526720324 /nfs/dbraw/zinc/72/03/24/526720324.db2.gz MQHJADPNQVUVCE-ZDUSSCGKSA-N -1 3 261.365 3.291 20 0 CGADHM Clc1cccc(-c2noc([N-]Cc3nccs3)n2)c1 ZINC000112074615 526972322 /nfs/dbraw/zinc/97/23/22/526972322.db2.gz DVIAEYFJJVETQH-UHFFFAOYSA-N -1 3 292.751 3.459 20 0 CGADHM CC(C)(CC(F)F)C(=O)Nc1cc(F)ccc1[O-] ZINC000412159542 526979404 /nfs/dbraw/zinc/97/94/04/526979404.db2.gz JFTDUJFQTWCPNU-UHFFFAOYSA-N -1 3 261.243 3.151 20 0 CGADHM O=C(Cc1ccc(O)cc1Cl)Nc1cc(F)ccc1[O-] ZINC000156510890 527242331 /nfs/dbraw/zinc/24/23/31/527242331.db2.gz DJQHEDKEJGZEDG-UHFFFAOYSA-N -1 3 295.697 3.072 20 0 CGADHM CC(=O)c1ccc(C(=O)N[C@H](C)C2CCCCC2)cc1[O-] ZINC000412137098 527263776 /nfs/dbraw/zinc/26/37/76/527263776.db2.gz WCARIVYFXIHZGE-LLVKDONJSA-N -1 3 289.375 3.293 20 0 CGADHM CC(=O)c1ccc(C(=O)N[C@H]2CCc3ccccc32)cc1[O-] ZINC000436870155 527265883 /nfs/dbraw/zinc/26/58/83/527265883.db2.gz PFQDYDQHHGBOSK-INIZCTEOSA-N -1 3 295.338 3.012 20 0 CGADHM CC(=O)c1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1[O-] ZINC000436845239 527266231 /nfs/dbraw/zinc/26/62/31/527266231.db2.gz IMNRJAAKHFNSAV-UHFFFAOYSA-N -1 3 283.327 3.464 20 0 CGADHM CC(C)(C(=O)Nc1nnc(-c2ccco2)[n-]1)C1CCCC1 ZINC000411294712 527540775 /nfs/dbraw/zinc/54/07/75/527540775.db2.gz NPVWLARORGLEGU-UHFFFAOYSA-N -1 3 288.351 3.220 20 0 CGADHM CC(C)(C(=O)Nc1nc(-c2ccco2)n[n-]1)C1CCCC1 ZINC000411294712 527540780 /nfs/dbraw/zinc/54/07/80/527540780.db2.gz NPVWLARORGLEGU-UHFFFAOYSA-N -1 3 288.351 3.220 20 0 CGADHM CC(C)(C(=O)Nc1n[n-]c(-c2ccco2)n1)C1CCCC1 ZINC000411294712 527540786 /nfs/dbraw/zinc/54/07/86/527540786.db2.gz NPVWLARORGLEGU-UHFFFAOYSA-N -1 3 288.351 3.220 20 0 CGADHM C=Cc1ccc(C(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000185293692 527642189 /nfs/dbraw/zinc/64/21/89/527642189.db2.gz FHMQNWFGRIHYHZ-UHFFFAOYSA-N -1 3 271.291 3.104 20 0 CGADHM CC(C)(C)C[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436541687 527698469 /nfs/dbraw/zinc/69/84/69/527698469.db2.gz ZBSFANZNKRKABO-LBPRGKRZSA-N -1 3 261.365 3.433 20 0 CGADHM CCCCn1nccc1NC(=O)c1ccc(C)c(C)c1[O-] ZINC000436541132 527718045 /nfs/dbraw/zinc/71/80/45/527718045.db2.gz SVPMRBJYRIIWHH-UHFFFAOYSA-N -1 3 287.363 3.258 20 0 CGADHM CCO[C@@H](CNC(=O)c1cccc(C)c1[O-])c1ccccc1 ZINC000436710210 527734825 /nfs/dbraw/zinc/73/48/25/527734825.db2.gz ZPSYCHGZLQKIOW-INIZCTEOSA-N -1 3 299.370 3.208 20 0 CGADHM CCC[C@@]1(C)CCCN(C(=O)c2ccc([O-])c(OC)c2)C1 ZINC000436638583 527932279 /nfs/dbraw/zinc/93/22/79/527932279.db2.gz IYXZCZSPJBJTJY-KRWDZBQOSA-N -1 3 291.391 3.443 20 0 CGADHM CC(C)c1ccc(C(=O)NC2CCSCC2)c([O-])c1 ZINC000436548618 528067652 /nfs/dbraw/zinc/06/76/52/528067652.db2.gz VLMUSSAPFUMEEV-UHFFFAOYSA-N -1 3 279.405 3.141 20 0 CGADHM CCC[C@H](C)c1cc(NC(=O)c2cc(C)ccc2[O-])n[nH]1 ZINC000439902852 528083144 /nfs/dbraw/zinc/08/31/44/528083144.db2.gz NTIVDNCAFIUIDI-NSHDSACASA-N -1 3 287.363 3.002 20 0 CGADHM CC1=C[C@@H](C)CN(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000436006756 528124692 /nfs/dbraw/zinc/12/46/92/528124692.db2.gz VCHZSSZAUZORHB-GFCCVEGCSA-N -1 3 291.366 3.279 20 0 CGADHM CC(C)c1ccccc1N(C)C(=O)c1ccc2n[n-]nc2c1 ZINC000426178869 528190426 /nfs/dbraw/zinc/19/04/26/528190426.db2.gz CEXLCPFUSLPFJL-UHFFFAOYSA-N -1 3 294.358 3.358 20 0 CGADHM CC(C)[C@@H](C(=O)[O-])[C@@H](C)NCc1c(F)cccc1Cl ZINC000424608207 528375927 /nfs/dbraw/zinc/37/59/27/528375927.db2.gz AFEYCAJBPWPZKV-NOZJJQNGSA-N -1 3 287.762 3.314 20 0 CGADHM CCNc1nc(C(=O)Nc2cc(Cl)ccc2[O-])cs1 ZINC000177099545 528441606 /nfs/dbraw/zinc/44/16/06/528441606.db2.gz DSSVBVJEDOPEBX-UHFFFAOYSA-N -1 3 297.767 3.186 20 0 CGADHM CCOc1ccc(Cc2nc(-c3ccc([O-])cc3)no2)cc1 ZINC000436769979 528468388 /nfs/dbraw/zinc/46/83/88/528468388.db2.gz KVNYYFBJBIZLCQ-UHFFFAOYSA-N -1 3 296.326 3.432 20 0 CGADHM CC(C)[C@@H]1CCCC[C@@H]1NC(=O)Cc1ccc([O-])c(F)c1 ZINC000448905100 528651358 /nfs/dbraw/zinc/65/13/58/528651358.db2.gz XVERFSSDMXPZIS-ZFWWWQNUSA-N -1 3 293.382 3.405 20 0 CGADHM CCCc1cnc(NC(=O)c2cc(OC)ccc2[O-])s1 ZINC000436755918 528657471 /nfs/dbraw/zinc/65/74/71/528657471.db2.gz OTGSAVATPYIZTR-UHFFFAOYSA-N -1 3 292.360 3.062 20 0 CGADHM CC(C)[C@@H]1CCC[C@@H](NC(=O)c2c([O-])cccc2O)C1 ZINC000436646092 528680501 /nfs/dbraw/zinc/68/05/01/528680501.db2.gz FFFZZODJMLFODQ-VXGBXAGGSA-N -1 3 277.364 3.042 20 0 CGADHM CCC(CC)[C@@H](O)CNC(=O)c1ccc(C(C)C)cc1[O-] ZINC000436862466 528831431 /nfs/dbraw/zinc/83/14/31/528831431.db2.gz HKAAMGCQGCZWKM-INIZCTEOSA-N -1 3 293.407 3.043 20 0 CGADHM CC[C@H](C)[C@H](C)N(C(=O)c1ccc([O-])c(OC)c1)C1CC1 ZINC000436635239 529238331 /nfs/dbraw/zinc/23/83/31/529238331.db2.gz SBWORBQLJSTLKQ-RYUDHWBXSA-N -1 3 291.391 3.440 20 0 CGADHM CC[C@@H]1CCCN(C(=O)Cc2ccc([O-])c(F)c2)CC1 ZINC000449882519 529294526 /nfs/dbraw/zinc/29/45/26/529294526.db2.gz JKCFUKAVGSGJBI-GFCCVEGCSA-N -1 3 279.355 3.113 20 0 CGADHM CC[C@H](CNC(=O)c1ccc(O)cc1[O-])c1ccccc1 ZINC000193673029 529358803 /nfs/dbraw/zinc/35/88/03/529358803.db2.gz OQKFUAZAMHFFOG-GFCCVEGCSA-N -1 3 285.343 3.021 20 0 CGADHM CCC(CC)NCc1cccc([O-])c1Br ZINC000315068495 535078221 /nfs/dbraw/zinc/07/82/21/535078221.db2.gz RJNVMPONIDMADE-UHFFFAOYSA-N -1 3 272.186 3.433 20 0 CGADHM CCC[C@@H]1C[C@H]1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000462258110 535481500 /nfs/dbraw/zinc/48/15/00/535481500.db2.gz PCNNZPUGKIJZNG-PSASIEDQSA-N -1 3 253.729 3.420 20 0 CGADHM CCS[C@@H]1CCCCN(Cc2ccoc2C(=O)[O-])C1 ZINC000518387201 535704933 /nfs/dbraw/zinc/70/49/33/535704933.db2.gz ZVGQWENYRNBFMI-GFCCVEGCSA-N -1 3 283.393 3.085 20 0 CGADHM CCc1[n-][nH]c(=NC(=O)[C@H](CC2CCCC2)C(C)C)c1C ZINC000477192451 535984381 /nfs/dbraw/zinc/98/43/81/535984381.db2.gz LVMLIRRVBDHGSF-CQSZACIVSA-N -1 3 291.439 3.493 20 0 CGADHM CCc1cc(C(=O)N2CCc3cccc(F)c32)ccc1[O-] ZINC000486755411 536115338 /nfs/dbraw/zinc/11/53/38/536115338.db2.gz PVJSCQKYUUYNDR-UHFFFAOYSA-N -1 3 285.318 3.297 20 0 CGADHM CCc1cc(C(=O)NCC2Cc3ccccc3C2)ccc1[O-] ZINC000486397983 536118661 /nfs/dbraw/zinc/11/86/61/536118661.db2.gz BTACYWISYPFJJN-UHFFFAOYSA-N -1 3 295.382 3.099 20 0 CGADHM CCc1cc(=O)[n-]c(CSCc2cccc(OC)c2)n1 ZINC000125692919 536154955 /nfs/dbraw/zinc/15/49/55/536154955.db2.gz ONLDMVXFOJGCIO-UHFFFAOYSA-N -1 3 290.388 3.187 20 0 CGADHM CCc1cc(=O)[n-]c(CSCc2ccc(F)cc2)n1 ZINC000125549485 536155084 /nfs/dbraw/zinc/15/50/84/536155084.db2.gz KAGZOJNPXLXXTH-UHFFFAOYSA-N -1 3 278.352 3.317 20 0 CGADHM CCc1ccc(C(=O)N(C)Cc2ccoc2C)c([O-])c1 ZINC000190274201 536163477 /nfs/dbraw/zinc/16/34/77/536163477.db2.gz NMZUAFICHLFAAJ-UHFFFAOYSA-N -1 3 273.332 3.128 20 0 CGADHM COCC1(CN=c2[n-]c(C(F)(F)F)cs2)CCCC1 ZINC000450920631 536821756 /nfs/dbraw/zinc/82/17/56/536821756.db2.gz ZFDHOZHMIFGILZ-UHFFFAOYSA-N -1 3 294.342 3.203 20 0 CGADHM COc1ccc(NC(=O)CCCC(C)C)c([O-])c1 ZINC000451022588 571717534 /nfs/dbraw/zinc/71/75/34/571717534.db2.gz CCIWEHUOLSYEBT-UHFFFAOYSA-N -1 3 251.326 3.166 20 0 CGADHM Cc1ccc(CNc2ccc(Cl)cc2-c2nnn[n-]2)cc1 ZINC000737342839 572337748 /nfs/dbraw/zinc/33/77/48/572337748.db2.gz RQRBSXOQXZPPEC-UHFFFAOYSA-N -1 3 299.765 3.441 20 0 CGADHM Cc1ccc(CNc2ccc(Cl)cc2-c2nn[n-]n2)cc1 ZINC000737342839 572337753 /nfs/dbraw/zinc/33/77/53/572337753.db2.gz RQRBSXOQXZPPEC-UHFFFAOYSA-N -1 3 299.765 3.441 20 0 CGADHM Cc1ccc(C[C@@H](C)Nc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000737334917 572337805 /nfs/dbraw/zinc/33/78/05/572337805.db2.gz OWJGXIVRXBSYFZ-SNVBAGLBSA-N -1 3 299.403 3.280 20 0 CGADHM Cc1ccc(C[C@@H](C)Nc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000737334917 572337809 /nfs/dbraw/zinc/33/78/09/572337809.db2.gz OWJGXIVRXBSYFZ-SNVBAGLBSA-N -1 3 299.403 3.280 20 0 CGADHM Cc1cccc(NC(=S)NCc2ccc([O-])c(F)c2)c1 ZINC000737461257 572345721 /nfs/dbraw/zinc/34/57/21/572345721.db2.gz LHDCIWMBCVAQSP-UHFFFAOYSA-N -1 3 290.363 3.326 20 0 CGADHM CCc1ccc(/C=C2\C(=O)[N-]C(=O)c3ccccc32)s1 ZINC000731157120 572398460 /nfs/dbraw/zinc/39/84/60/572398460.db2.gz RQAGUXOFNNFJDC-ZROIWOOFSA-N -1 3 283.352 3.121 20 0 CGADHM C[C@H](NC(=O)[O-])C1CCN([C@@H](C)c2ccccc2F)CC1 ZINC000739021882 572399303 /nfs/dbraw/zinc/39/93/03/572399303.db2.gz DGVXODFMNREBSH-RYUDHWBXSA-N -1 3 294.370 3.255 20 0 CGADHM C[C@H](c1cccc(Cl)c1)N1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000739055675 572401147 /nfs/dbraw/zinc/40/11/47/572401147.db2.gz HPIRIZVMVXBWEI-VXGBXAGGSA-N -1 3 296.798 3.333 20 0 CGADHM C[C@H](NCc1ccc(CCNC(=O)[O-])cc1)c1ccccc1 ZINC000739030799 572410768 /nfs/dbraw/zinc/41/07/68/572410768.db2.gz FVKJVQORGBSWOV-AWEZNQCLSA-N -1 3 298.386 3.348 20 0 CGADHM O=C([O-])N1CCC[C@H]1CNCc1csc2ccccc12 ZINC000740520660 572444447 /nfs/dbraw/zinc/44/44/47/572444447.db2.gz MBAXKFOJVZXAEJ-LBPRGKRZSA-N -1 3 290.388 3.133 20 0 CGADHM CC(C)Oc1ccc(C=Cc2nccc(=O)[n-]2)cc1 ZINC000742221610 572558989 /nfs/dbraw/zinc/55/89/89/572558989.db2.gz PSQJGXNKGWFDRS-VMPITWQZSA-N -1 3 256.305 3.140 20 0 CGADHM CC(C)(C)CCNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735602405 572732619 /nfs/dbraw/zinc/73/26/19/572732619.db2.gz PGWPTZZRSULFAH-UHFFFAOYSA-N -1 3 279.775 3.368 20 0 CGADHM CC(C)(C)CCNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735602405 572732621 /nfs/dbraw/zinc/73/26/21/572732621.db2.gz PGWPTZZRSULFAH-UHFFFAOYSA-N -1 3 279.775 3.368 20 0 CGADHM O=C(OCc1cccc(Cl)n1)c1ccc(Cl)cc1[O-] ZINC000744471428 572755804 /nfs/dbraw/zinc/75/58/04/572755804.db2.gz DEUPSENUQOEZSQ-UHFFFAOYSA-N -1 3 298.125 3.451 20 0 CGADHM C[C@H]1CCCN(c2cc(Cl)ccc2-c2nnn[n-]2)CC1 ZINC000736276386 572779032 /nfs/dbraw/zinc/77/90/32/572779032.db2.gz HAUOBEDUUGNSKL-JTQLQIEISA-N -1 3 291.786 3.147 20 0 CGADHM C[C@H]1CCCN(c2cc(Cl)ccc2-c2nn[n-]n2)CC1 ZINC000736276386 572779033 /nfs/dbraw/zinc/77/90/33/572779033.db2.gz HAUOBEDUUGNSKL-JTQLQIEISA-N -1 3 291.786 3.147 20 0 CGADHM CC(C)(CC(=O)[O-])NCc1ccc(-c2ccc(F)cc2)o1 ZINC000736310927 572780819 /nfs/dbraw/zinc/78/08/19/572780819.db2.gz ASFLBXFIVPIBLM-UHFFFAOYSA-N -1 3 291.322 3.429 20 0 CGADHM CC(C)(CC(=O)[O-])NCc1csc(-c2ccsc2)n1 ZINC000736317201 572781506 /nfs/dbraw/zinc/78/15/06/572781506.db2.gz KISXWNCALCBKOC-UHFFFAOYSA-N -1 3 296.417 3.215 20 0 CGADHM CC[C@H]1CCC[C@H](Nc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736400671 572787908 /nfs/dbraw/zinc/78/79/08/572787908.db2.gz QPKJJNKQEXUIED-FZMZJTMJSA-N -1 3 271.368 3.247 20 0 CGADHM CC[C@H]1CCC[C@H](Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736400671 572787911 /nfs/dbraw/zinc/78/79/11/572787911.db2.gz QPKJJNKQEXUIED-FZMZJTMJSA-N -1 3 271.368 3.247 20 0 CGADHM Cc1cccc(COC(=O)c2cc(-c3cccs3)[n-]n2)n1 ZINC000736787290 572813174 /nfs/dbraw/zinc/81/31/74/572813174.db2.gz OLAOOOCXOMIHBW-UHFFFAOYSA-N -1 3 299.355 3.199 20 0 CGADHM Cc1cccc(COC(=O)c2cc(-c3cccs3)n[n-]2)n1 ZINC000736787290 572813177 /nfs/dbraw/zinc/81/31/77/572813177.db2.gz OLAOOOCXOMIHBW-UHFFFAOYSA-N -1 3 299.355 3.199 20 0 CGADHM C[C@H]1Cc2ccccc2CN1Cc1cccc(C(=O)[O-])c1 ZINC000736823817 572819627 /nfs/dbraw/zinc/81/96/27/572819627.db2.gz CQNLVBBQCOSGMU-ZDUSSCGKSA-N -1 3 281.355 3.332 20 0 CGADHM CC[C@@H](N[C@H]1CCCN(C(=O)[O-])C1)c1ccc(F)cc1 ZINC000736920697 572825371 /nfs/dbraw/zinc/82/53/71/572825371.db2.gz YJUAUCUQNJSWNP-UONOGXRCSA-N -1 3 280.343 3.009 20 0 CGADHM Cc1cc(C)cc([C@H](C)Nc2ncccc2-c2nnn[n-]2)c1 ZINC000737253840 572868314 /nfs/dbraw/zinc/86/83/14/572868314.db2.gz TYBWMYDDRUIYFF-LBPRGKRZSA-N -1 3 294.362 3.052 20 0 CGADHM Cc1cc(C)cc([C@H](C)Nc2ncccc2-c2nn[n-]n2)c1 ZINC000737253840 572868316 /nfs/dbraw/zinc/86/83/16/572868316.db2.gz TYBWMYDDRUIYFF-LBPRGKRZSA-N -1 3 294.362 3.052 20 0 CGADHM CCC[C@H](C)OC(=O)c1cc(-c2ccc(C)o2)n[n-]1 ZINC000748115236 572961515 /nfs/dbraw/zinc/96/15/15/572961515.db2.gz BBVDNKITKKOURP-VIFPVBQESA-N -1 3 262.309 3.324 20 0 CGADHM CCC[C@H](C)OC(=O)c1cc(-c2ccc(C)o2)[n-]n1 ZINC000748115236 572961516 /nfs/dbraw/zinc/96/15/16/572961516.db2.gz BBVDNKITKKOURP-VIFPVBQESA-N -1 3 262.309 3.324 20 0 CGADHM CCCC[C@H]1CCC[C@H]1[N-]C(=O)C(F)(F)C(F)F ZINC000749372530 572993856 /nfs/dbraw/zinc/99/38/56/572993856.db2.gz HUBKVLVMPWPCMX-DTWKUNHWSA-N -1 3 269.282 3.362 20 0 CGADHM Cc1ccc(OCCCC(=O)[N-]OCC(C)C)cc1C ZINC000750023857 573074157 /nfs/dbraw/zinc/07/41/57/573074157.db2.gz LRWZAPVELDABGF-UHFFFAOYSA-N -1 3 279.380 3.166 20 0 CGADHM CC(C)CO[N-]C(=O)Nc1cccc(-n2cccc2)c1 ZINC000750314728 573111757 /nfs/dbraw/zinc/11/17/57/573111757.db2.gz MYQOQMANQNAQDF-UHFFFAOYSA-N -1 3 273.336 3.186 20 0 CGADHM c1cc(-c2nn[n-]n2)ccc1N[C@H]1C[C@H]1C1CCCCC1 ZINC000823743006 599042651 /nfs/dbraw/zinc/04/26/51/599042651.db2.gz QANUBGFUUQJULQ-GJZGRUSLSA-N -1 3 283.379 3.247 20 0 CGADHM Cc1ccccc1CSc1ccccc1-c1nnn[n-]1 ZINC000822362201 599200226 /nfs/dbraw/zinc/20/02/26/599200226.db2.gz OEFKJUCTQWFSBI-UHFFFAOYSA-N -1 3 282.372 3.467 20 0 CGADHM Cc1ccccc1CSc1ccccc1-c1nn[n-]n1 ZINC000822362201 599200229 /nfs/dbraw/zinc/20/02/29/599200229.db2.gz OEFKJUCTQWFSBI-UHFFFAOYSA-N -1 3 282.372 3.467 20 0 CGADHM Cc1cc(CNCc2ccc(C(=O)[O-])cc2)cnc1Cl ZINC000756282705 597054569 /nfs/dbraw/zinc/05/45/69/597054569.db2.gz PAGMPRSAEGXKJB-UHFFFAOYSA-N -1 3 290.750 3.031 20 0 CGADHM Cc1c(NC(=O)CCC2CCCC2)cccc1-c1nnn[n-]1 ZINC000822068912 607270684 /nfs/dbraw/zinc/27/06/84/607270684.db2.gz WGJZDNIWAOFLSC-UHFFFAOYSA-N -1 3 299.378 3.084 20 0 CGADHM Cc1c(NC(=O)CCC2CCCC2)cccc1-c1nn[n-]n1 ZINC000822068912 607270685 /nfs/dbraw/zinc/27/06/85/607270685.db2.gz WGJZDNIWAOFLSC-UHFFFAOYSA-N -1 3 299.378 3.084 20 0 CGADHM Cc1nc([C@@H](C)NCCCCCC(=O)[O-])c(C)s1 ZINC000821165590 597372105 /nfs/dbraw/zinc/37/21/05/597372105.db2.gz SLDSJDDUEUOWGW-SECBINFHSA-N -1 3 270.398 3.056 20 0 CGADHM O=C([O-])c1cccc(CNCc2cc3ccccc3[nH]2)c1 ZINC000821552220 598203381 /nfs/dbraw/zinc/20/33/81/598203381.db2.gz AFNBXXWQCLWEJS-UHFFFAOYSA-N -1 3 280.327 3.156 20 0 CGADHM Clc1cccc(-c2nnn[n-]2)c1NCC1CCCC1 ZINC000822582793 599472777 /nfs/dbraw/zinc/47/27/77/599472777.db2.gz WVYQPTFAVHAPSJ-UHFFFAOYSA-N -1 3 277.759 3.122 20 0 CGADHM Clc1cccc(-c2nn[n-]n2)c1NCC1CCCC1 ZINC000822582793 599472778 /nfs/dbraw/zinc/47/27/78/599472778.db2.gz WVYQPTFAVHAPSJ-UHFFFAOYSA-N -1 3 277.759 3.122 20 0 CGADHM O=C([O-])c1sccc1CNC1(c2ccccc2)CC1 ZINC000833348965 601822397 /nfs/dbraw/zinc/82/23/97/601822397.db2.gz WXZJGDGYVPGHBL-UHFFFAOYSA-N -1 3 273.357 3.225 20 0 CGADHM O=C([O-])CCCN1CCCC[C@H]1c1nc2ccccc2o1 ZINC000821524127 602342185 /nfs/dbraw/zinc/34/21/85/602342185.db2.gz CGOBECBYYXYWEH-ZDUSSCGKSA-N -1 3 288.347 3.220 20 0 CGADHM CC(C)(NCc1ccc(NC(=O)[O-])nc1)c1cccs1 ZINC000824034306 603553500 /nfs/dbraw/zinc/55/35/00/603553500.db2.gz AYIQMVPEFZLGMY-UHFFFAOYSA-N -1 3 291.376 3.258 20 0 CGADHM COc1ccc(CN(C[C@@H](C)C(=O)[O-])C2CC2)c(Cl)c1 ZINC000832314685 604746137 /nfs/dbraw/zinc/74/61/37/604746137.db2.gz MXTOYOJTUJIJKX-SNVBAGLBSA-N -1 3 297.782 3.034 20 0 CGADHM C[C@H](CN(Cc1cccc(F)c1Cl)C1CC1)C(=O)[O-] ZINC000833516800 604908894 /nfs/dbraw/zinc/90/88/94/604908894.db2.gz XKWPFJGYYYGSPJ-SECBINFHSA-N -1 3 285.746 3.164 20 0 CGADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2ccc(Cl)nc2)C1 ZINC000833420239 604950527 /nfs/dbraw/zinc/95/05/27/604950527.db2.gz PNZNWLOPHVCXPC-GFCCVEGCSA-N -1 3 296.798 3.058 20 0 CGADHM Cc1cccc([C@@H](C)N[C@H](C(=O)[O-])c2cccnc2)c1C ZINC000832965878 605002454 /nfs/dbraw/zinc/00/24/54/605002454.db2.gz GSCSDKGPFSCQKN-CJNGLKHVSA-N -1 3 284.359 3.175 20 0 CGADHM Cc1ccc([C@@H](C)N[C@H](C(=O)[O-])c2cccnc2)cc1F ZINC000832921484 605007592 /nfs/dbraw/zinc/00/75/92/605007592.db2.gz RLGQOWWVEVTTJB-ABAIWWIYSA-N -1 3 288.322 3.006 20 0 CGADHM C[C@@]1(NCc2csc(C3CC3)n2)CCCC[C@H]1C(=O)[O-] ZINC000833569209 605060978 /nfs/dbraw/zinc/06/09/78/605060978.db2.gz KGSLODVMLSHVSC-SWLSCSKDSA-N -1 3 294.420 3.144 20 0 CGADHM C/C(=C/CN[C@H](C)c1ccccc1OC(C)C)C(=O)[O-] ZINC000833385372 605069028 /nfs/dbraw/zinc/06/90/28/605069028.db2.gz SGWQYKGXQXLYPQ-KIWPFMIBSA-N -1 3 277.364 3.155 20 0 CGADHM CC1(CN[C@H](C(=O)[O-])c2c(F)cccc2Cl)CCC1 ZINC000833566087 605361305 /nfs/dbraw/zinc/36/13/05/605361305.db2.gz NGFHOXXUCHWCNS-LBPRGKRZSA-N -1 3 285.746 3.385 20 0 CGADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000135045250 605547654 /nfs/dbraw/zinc/54/76/54/605547654.db2.gz WDEAONABXWZPDL-LLVKDONJSA-N -1 3 297.345 3.288 20 0 CGADHM Fc1cccc(SCc2ccccc2-c2nnn[n-]2)c1 ZINC000822792529 606627851 /nfs/dbraw/zinc/62/78/51/606627851.db2.gz ZVHXPNYKPZXXPI-UHFFFAOYSA-N -1 3 286.335 3.298 20 0 CGADHM Fc1cccc(SCc2ccccc2-c2nn[n-]n2)c1 ZINC000822792529 606627853 /nfs/dbraw/zinc/62/78/53/606627853.db2.gz ZVHXPNYKPZXXPI-UHFFFAOYSA-N -1 3 286.335 3.298 20 0 CGADHM CC[C@H](C)CSCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820870768 607017167 /nfs/dbraw/zinc/01/71/67/607017167.db2.gz ZCLJQVDPWWMKTH-VIFPVBQESA-N -1 3 280.372 3.285 20 0 CGADHM CC[C@H](C)CSCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820870768 607017169 /nfs/dbraw/zinc/01/71/69/607017169.db2.gz ZCLJQVDPWWMKTH-VIFPVBQESA-N -1 3 280.372 3.285 20 0 CGADHM CCCCN(CC)c1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000825281691 608219440 /nfs/dbraw/zinc/21/94/40/608219440.db2.gz JDFPVIPRZPLGAA-UHFFFAOYSA-N -1 3 296.378 3.041 20 0 CGADHM CCCCN(CC)c1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000825281691 608219442 /nfs/dbraw/zinc/21/94/42/608219442.db2.gz JDFPVIPRZPLGAA-UHFFFAOYSA-N -1 3 296.378 3.041 20 0 CGADHM c1cc2nc(NC3CCCCC3)ccc2cc1-c1nnn[n-]1 ZINC000826518541 608221211 /nfs/dbraw/zinc/22/12/11/608221211.db2.gz QVKNVTQPBKSEAT-UHFFFAOYSA-N -1 3 294.362 3.160 20 0 CGADHM c1cc2nc(NC3CCCCC3)ccc2cc1-c1nn[n-]n1 ZINC000826518541 608221213 /nfs/dbraw/zinc/22/12/13/608221213.db2.gz QVKNVTQPBKSEAT-UHFFFAOYSA-N -1 3 294.362 3.160 20 0 CGADHM CC[C@H](C)[C@H](C)Nc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000825059091 608228517 /nfs/dbraw/zinc/22/85/17/608228517.db2.gz CUUNFUZTPABJPH-QWRGUYRKSA-N -1 3 296.378 3.261 20 0 CGADHM CC[C@H](C)[C@H](C)Nc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000825059091 608228518 /nfs/dbraw/zinc/22/85/18/608228518.db2.gz CUUNFUZTPABJPH-QWRGUYRKSA-N -1 3 296.378 3.261 20 0 CGADHM c1cc(CNc2ccc(C3CC3)cc2)cc(-c2nnn[n-]2)c1 ZINC000826516265 608236996 /nfs/dbraw/zinc/23/69/96/608236996.db2.gz DHDVRBPCFADJES-UHFFFAOYSA-N -1 3 291.358 3.356 20 0 CGADHM c1cc(CNc2ccc(C3CC3)cc2)cc(-c2nn[n-]n2)c1 ZINC000826516265 608236998 /nfs/dbraw/zinc/23/69/98/608236998.db2.gz DHDVRBPCFADJES-UHFFFAOYSA-N -1 3 291.358 3.356 20 0 CGADHM Cc1occc1SCc1cccc(-c2nnn[n-]2)c1 ZINC000826342215 609178952 /nfs/dbraw/zinc/17/89/52/609178952.db2.gz AYTJIWAYQFSHEI-UHFFFAOYSA-N -1 3 272.333 3.060 20 0 CGADHM Cc1occc1SCc1cccc(-c2nn[n-]n2)c1 ZINC000826342215 609178954 /nfs/dbraw/zinc/17/89/54/609178954.db2.gz AYTJIWAYQFSHEI-UHFFFAOYSA-N -1 3 272.333 3.060 20 0 CGADHM Cc1ccc(F)c(N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000826290090 609255404 /nfs/dbraw/zinc/25/54/04/609255404.db2.gz ZQZYYXTZYWIKNF-LLVKDONJSA-N -1 3 297.337 3.487 20 0 CGADHM Cc1ccc(F)c(N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000826290090 609255406 /nfs/dbraw/zinc/25/54/06/609255406.db2.gz ZQZYYXTZYWIKNF-LLVKDONJSA-N -1 3 297.337 3.487 20 0 CGADHM CCc1ccc(CNc2cccc(-c3nnn[n-]3)c2)s1 ZINC000051718121 609473174 /nfs/dbraw/zinc/47/31/74/609473174.db2.gz YACMCUPUIFRWSQ-UHFFFAOYSA-N -1 3 285.376 3.103 20 0 CGADHM CCc1ccc(CNc2cccc(-c3nn[n-]n3)c2)s1 ZINC000051718121 609473177 /nfs/dbraw/zinc/47/31/77/609473177.db2.gz YACMCUPUIFRWSQ-UHFFFAOYSA-N -1 3 285.376 3.103 20 0 CGADHM O=C(CCCc1ccc([O-])c(F)c1)NC1(C2CC2)CCC1 ZINC000899823678 620729676 /nfs/dbraw/zinc/72/96/76/620729676.db2.gz FNOIEHFDVMTRNQ-UHFFFAOYSA-N -1 3 291.366 3.303 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CC[C@@H]1C1CCCC1 ZINC000889413762 617665160 /nfs/dbraw/zinc/66/51/60/617665160.db2.gz GQMYFJXHZAVSRN-CYBMUJFWSA-N -1 3 259.349 3.105 20 0 CGADHM O=C(CC/C=C\c1ccccc1)[N-]OC/C=C\Cl ZINC000812408662 617801616 /nfs/dbraw/zinc/80/16/16/617801616.db2.gz RQLKAYDOYUBQRU-JHETVSBOSA-N -1 3 265.740 3.280 20 0 CGADHM CCc1cnc(CNC[C@H](CC2CCCC2)C(=O)[O-])s1 ZINC000900084595 620759004 /nfs/dbraw/zinc/75/90/04/620759004.db2.gz VCWOLDXBTCMJQA-LBPRGKRZSA-N -1 3 296.436 3.076 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])c1scnc1Cl ZINC000048919217 618055350 /nfs/dbraw/zinc/05/53/50/618055350.db2.gz YJAZFIJVXDTPSV-UHFFFAOYSA-N -1 3 289.143 3.408 20 0 CGADHM [O-]c1ccc(CN2CCc3sccc3C2)cc1F ZINC000891551739 618237973 /nfs/dbraw/zinc/23/79/73/618237973.db2.gz JXUYEFIHTZMLSH-UHFFFAOYSA-N -1 3 263.337 3.151 20 0 CGADHM O=C([N-]OC1CCCC1)C12CC3CC(CC(C3)C1)C2 ZINC000074581375 618709716 /nfs/dbraw/zinc/70/97/16/618709716.db2.gz PBVSNNLRYUQKTK-UHFFFAOYSA-N -1 3 263.381 3.193 20 0 CGADHM CCCCOC(=O)c1cccc2[n-]c(C(F)F)nc21 ZINC000924084451 618899916 /nfs/dbraw/zinc/89/99/16/618899916.db2.gz SKSGULRPWHBUJQ-UHFFFAOYSA-N -1 3 268.263 3.457 20 0 CGADHM C[C@@H](NCc1cc(C2CC2)no1)c1cc([O-])cc(F)c1 ZINC000926869238 618958242 /nfs/dbraw/zinc/95/82/42/618958242.db2.gz RJWAMISFBJIVNK-SECBINFHSA-N -1 3 276.311 3.248 20 0 CGADHM CC1(C)[C@H](/N=C/c2cc(Cl)ccc2[O-])[C@@H]2CCO[C@H]21 ZINC000246973938 619215630 /nfs/dbraw/zinc/21/56/30/619215630.db2.gz GUVXUQXCXNGLSQ-XHYQNCTESA-N -1 3 279.767 3.278 20 0 CGADHM C[C@@H]1CCC[C@H](CC(=O)[N-]OCCC(F)(F)F)C1 ZINC000162852323 619220706 /nfs/dbraw/zinc/22/07/06/619220706.db2.gz UCCPAQMDAQBIAL-ZJUUUORDSA-N -1 3 267.291 3.203 20 0 CGADHM O=C([O-])CC[C@H]1CCCN(Cc2sccc2Cl)C1 ZINC000261575584 619289533 /nfs/dbraw/zinc/28/95/33/619289533.db2.gz NHCJTFLPXGALEK-SNVBAGLBSA-N -1 3 287.812 3.478 20 0 CGADHM Cc1ccc(C(=O)N2CCC[C@@H]2COC(C)(C)C)c([O-])c1 ZINC000928234051 619485101 /nfs/dbraw/zinc/48/51/01/619485101.db2.gz FBMZDKCXNPOKQQ-CYBMUJFWSA-N -1 3 291.391 3.120 20 0 CGADHM CCOc1cc(CN2CC[C@@H]2C(F)F)cc(Cl)c1[O-] ZINC000895433138 619825989 /nfs/dbraw/zinc/82/59/89/619825989.db2.gz UDNRSUNDBILAFK-SNVBAGLBSA-N -1 3 291.725 3.284 20 0 CGADHM CC(C)c1ccc(CCC(=O)[N-]OCc2ccccn2)cc1 ZINC000909524924 619858585 /nfs/dbraw/zinc/85/85/85/619858585.db2.gz AUGWWPGLIYQGLA-UHFFFAOYSA-N -1 3 298.386 3.386 20 0 CGADHM CSCC1CCN(Cc2c(F)ccc([O-])c2F)CC1 ZINC000896940284 620108758 /nfs/dbraw/zinc/10/87/58/620108758.db2.gz DSONTJPLUWRWML-UHFFFAOYSA-N -1 3 287.375 3.245 20 0 CGADHM [O-]c1ccccc1-c1nc([C@H]2CCOC3(CCC3)C2)no1 ZINC000897106520 620145456 /nfs/dbraw/zinc/14/54/56/620145456.db2.gz FTVMNFYVMLREQD-NSHDSACASA-N -1 3 286.331 3.259 20 0 CGADHM CC1(C)CO[C@H](CC(=O)Nc2ccc(Cl)cc2[O-])C1 ZINC000897193095 620157712 /nfs/dbraw/zinc/15/77/12/620157712.db2.gz TXNRMMPRHHLMRA-SNVBAGLBSA-N -1 3 283.755 3.189 20 0 CGADHM [O-]c1cccc(CN2CC(Cc3ccoc3)C2)c1Cl ZINC000898159669 620483683 /nfs/dbraw/zinc/48/36/83/620483683.db2.gz BLRHMHVOLDPFRN-UHFFFAOYSA-N -1 3 277.751 3.313 20 0 CGADHM O=c1cc(C=Cc2cccc3c2CCOC3)nc(C2CC2)[n-]1 ZINC000901506010 620905709 /nfs/dbraw/zinc/90/57/09/620905709.db2.gz IWSCAJBFMQRCNW-SREVYHEPSA-N -1 3 294.354 3.303 20 0 CGADHM C[C@H](N[C@H](CCC(=O)[O-])c1ccccc1)c1ccccn1 ZINC000901648677 620963058 /nfs/dbraw/zinc/96/30/58/620963058.db2.gz RWHYNSROXUEKBP-XJKSGUPXSA-N -1 3 284.359 3.338 20 0 CGADHM Cc1ccc(CS[C@H](C)c2nc(C)cc(=O)[n-]2)o1 ZINC000901673786 620963618 /nfs/dbraw/zinc/96/36/18/620963618.db2.gz ZMXAHYDAZBWKPU-SNVBAGLBSA-N -1 3 264.350 3.386 20 0 CGADHM C[C@@]1(C(=O)[O-])CCCN(C/C=C/c2ccc(F)cc2F)C1 ZINC000901700431 620993110 /nfs/dbraw/zinc/99/31/10/620993110.db2.gz JBUQBELASCOQEJ-WPTTZPOMSA-N -1 3 295.329 3.165 20 0 CGADHM Cc1sccc1CN[C@@H](C(=O)[O-])c1ccc(F)c(C)c1 ZINC000901843110 621044256 /nfs/dbraw/zinc/04/42/56/621044256.db2.gz NSSYCCAWGIGJHO-CQSZACIVSA-N -1 3 293.363 3.420 20 0 CGADHM Cc1cc(CN[C@H](CCC(=O)[O-])CC2CCCCC2)no1 ZINC000901905217 621065722 /nfs/dbraw/zinc/06/57/22/621065722.db2.gz WVCOXLWICLFZKW-CQSZACIVSA-N -1 3 294.395 3.276 20 0 CGADHM CC(C)CN(Cc1cc(C(=O)[O-])no1)Cc1ccccc1 ZINC000902135178 621151253 /nfs/dbraw/zinc/15/12/53/621151253.db2.gz ZZYFEDLJOLHHIZ-UHFFFAOYSA-N -1 3 288.347 3.031 20 0 CGADHM C[C@H]1CCCC[C@@H]1OCCNCc1csc(C(=O)[O-])c1 ZINC000902123511 621162600 /nfs/dbraw/zinc/16/26/00/621162600.db2.gz WQOUBFVNBWLHGI-AAEUAGOBSA-N -1 3 297.420 3.131 20 0 CGADHM C[C@@H](NCc1ccc(OCC(=O)[O-])cc1)c1ccsc1 ZINC000902202906 621193211 /nfs/dbraw/zinc/19/32/11/621193211.db2.gz YQFSJUMONMHDEC-LLVKDONJSA-N -1 3 291.372 3.062 20 0 CGADHM O=C(CCCc1ccccc1)[N-]OCc1ccsc1 ZINC000902239463 621206695 /nfs/dbraw/zinc/20/66/95/621206695.db2.gz NMXUKNUAKAOVRA-UHFFFAOYSA-N -1 3 275.373 3.319 20 0 CGADHM C[C@@H]1CCc2ccccc2[C@@H]1NCc1cc(C(=O)[O-])co1 ZINC000902338312 621272250 /nfs/dbraw/zinc/27/22/50/621272250.db2.gz PNGYXIWYOCONBB-BDJLRTHQSA-N -1 3 285.343 3.391 20 0 CGADHM Cc1ccc(F)c(CN2CC[C@]3(C(=O)[O-])CCC[C@H]23)c1F ZINC000903607161 621770195 /nfs/dbraw/zinc/77/01/95/621770195.db2.gz IFHWTNIQRQQFHT-XJKSGUPXSA-N -1 3 295.329 3.102 20 0 CGADHM CCc1cccc(C(=O)Nc2nn(CC)cc2Cl)c1[O-] ZINC000924793515 621845995 /nfs/dbraw/zinc/84/59/95/621845995.db2.gz HZPODXVTFGGPKK-UHFFFAOYSA-N -1 3 293.754 3.077 20 0 CGADHM Cc1coc(C[N-]c2nnc([C@H]3Cc4ccccc4O3)o2)c1 ZINC000905407292 622067646 /nfs/dbraw/zinc/06/76/46/622067646.db2.gz CSFFIAFDPVAQDS-CQSZACIVSA-N -1 3 297.314 3.259 20 0 CGADHM C[C@]1(NCc2ccc(C(=O)[O-])cn2)CCCc2ccccc21 ZINC000905714534 622097852 /nfs/dbraw/zinc/09/78/52/622097852.db2.gz YOPZCYANLHWSKJ-SFHVURJKSA-N -1 3 296.370 3.121 20 0 CGADHM CC1(CN2CCOc3c(cccc3C(=O)[O-])C2)CCCC1 ZINC000905736903 622102844 /nfs/dbraw/zinc/10/28/44/622102844.db2.gz BBKSNAWMTUEZRN-UHFFFAOYSA-N -1 3 289.375 3.160 20 0 CGADHM CC12C[C@H]3C[C@@H](C1)CC(C(=O)[N-]OCC1CC1)(C3)C2 ZINC000908384485 622347475 /nfs/dbraw/zinc/34/74/75/622347475.db2.gz ZFJGLQYJDLDVEJ-YPXDRJKUSA-N -1 3 263.381 3.051 20 0 CGADHM COc1cccc([O-])c1C(=O)N(C)CCc1ccccc1C ZINC000908524783 622354918 /nfs/dbraw/zinc/35/49/18/622354918.db2.gz JVUSRSXKKVDGSS-UHFFFAOYSA-N -1 3 299.370 3.024 20 0 CGADHM CCCCC[C@H](C)NC(=O)c1c[n-]c2ccccc2c1=O ZINC000033015071 624209324 /nfs/dbraw/zinc/20/93/24/624209324.db2.gz MJILGACBTQXJRX-LBPRGKRZSA-N -1 3 286.375 3.227 20 0 CGADHM COc1ccccc1OC(=O)c1cc2ccsc2[n-]1 ZINC000916852812 624220217 /nfs/dbraw/zinc/22/02/17/624220217.db2.gz QESGLGBUAHMHER-UHFFFAOYSA-N -1 3 273.313 3.457 20 0 CGADHM O=C(OCc1ccc(F)c(F)c1)c1ccc([O-])cc1 ZINC000917216414 624251621 /nfs/dbraw/zinc/25/16/21/624251621.db2.gz AFRGJTLRTQHTSX-UHFFFAOYSA-N -1 3 264.227 3.027 20 0 CGADHM O=C(/C=C/c1cccs1)Nc1cc(F)ccc1[O-] ZINC000179648676 624674049 /nfs/dbraw/zinc/67/40/49/624674049.db2.gz KLXGCVMWOPMLJI-GQCTYLIASA-N -1 3 263.293 3.245 20 0 CGADHM COc1ccc(C(=O)NCCCCCCSC)c([O-])c1 ZINC000181828256 624902467 /nfs/dbraw/zinc/90/24/67/624902467.db2.gz SGSPRRFLDRHNRA-UHFFFAOYSA-N -1 3 297.420 3.054 20 0 CGADHM CCCC[C@H](/N=C/c1cc(Cl)ccc1[O-])C(=O)OC ZINC000184305734 625222086 /nfs/dbraw/zinc/22/20/86/625222086.db2.gz XQETZTRTNVPOST-RGZVIEDOSA-N -1 3 283.755 3.196 20 0 CGADHM O=C(Cc1cccc(C2CC2)c1)[N-]OCc1ccccc1 ZINC000839477959 626355231 /nfs/dbraw/zinc/35/52/31/626355231.db2.gz CVWBGLUDBFVAPS-UHFFFAOYSA-N -1 3 281.355 3.355 20 0 CGADHM C/C(=C\c1ccccc1)CNCc1ccc(C(=O)[O-])c(C)n1 ZINC000756310236 626691090 /nfs/dbraw/zinc/69/10/90/626691090.db2.gz JNKBDDGPHIFUCV-JLHYYAGUSA-N -1 3 296.370 3.281 20 0 CGADHM O=C([N-]c1nnc(C2CC2)s1)c1cc(Cl)cs1 ZINC000757780585 626807824 /nfs/dbraw/zinc/80/78/24/626807824.db2.gz KEADZQNDXWIQPN-UHFFFAOYSA-N -1 3 285.781 3.383 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])c1cc(Cl)cs1 ZINC000760474515 626972988 /nfs/dbraw/zinc/97/29/88/626972988.db2.gz ZKXYAKRYPLOYTF-UHFFFAOYSA-N -1 3 271.700 3.499 20 0 CGADHM Cc1cc(=O)[n-]c(CSC/C=C\c2ccccc2)n1 ZINC000763212407 627145335 /nfs/dbraw/zinc/14/53/35/627145335.db2.gz LABRDCGTGINNEK-YVMONPNESA-N -1 3 272.373 3.437 20 0 CGADHM Cc1cccc(CSCc2nc(C)cc(=O)[n-]2)c1 ZINC000763211878 627145440 /nfs/dbraw/zinc/14/54/40/627145440.db2.gz HMAFFFIRFGEIMP-UHFFFAOYSA-N -1 3 260.362 3.232 20 0 CGADHM Cc1cc(=O)[n-]c(CSCCOC2CCCCCC2)n1 ZINC000763209609 627145551 /nfs/dbraw/zinc/14/55/51/627145551.db2.gz SMUWIKSAZZONBD-UHFFFAOYSA-N -1 3 296.436 3.463 20 0 CGADHM O=c1ccnc(C=Cc2ccc(OCC(F)(F)F)cc2)[n-]1 ZINC000764436891 627207598 /nfs/dbraw/zinc/20/75/98/627207598.db2.gz WQXVMHQGDONZOO-UTCJRWHESA-N -1 3 296.248 3.294 20 0 CGADHM Cc1oc2ccccc2c1CC(=O)[N-]OC1CCCC1 ZINC000767104027 627383000 /nfs/dbraw/zinc/38/30/00/627383000.db2.gz XWADTOFCRKMRRT-UHFFFAOYSA-N -1 3 273.332 3.274 20 0 CGADHM Cc1nc(Cl)ccc1CC(=O)Nc1cccc([O-])c1F ZINC000767119329 627384139 /nfs/dbraw/zinc/38/41/39/627384139.db2.gz JIYXDBULLRDSJS-UHFFFAOYSA-N -1 3 294.713 3.069 20 0 CGADHM CCC1(CC)CCCN1C(=O)c1nnc2ccccc2c1[O-] ZINC000874628013 634572708 /nfs/dbraw/zinc/57/27/08/634572708.db2.gz ADDMKSBYFWFAHE-UHFFFAOYSA-N -1 3 299.374 3.130 20 0 CGADHM Cc1nc(S[C@H](C)c2nc(C)cc(=O)[n-]2)sc1C ZINC000768398830 627478497 /nfs/dbraw/zinc/47/84/97/627478497.db2.gz KRNQQVSOMDUHIT-SECBINFHSA-N -1 3 281.406 3.417 20 0 CGADHM Cc1ccc(C(=O)Nc2n[nH]c3ccccc32)c([O-])c1C ZINC000769669277 627571755 /nfs/dbraw/zinc/57/17/55/627571755.db2.gz YGEYPFCCGUVNGZ-UHFFFAOYSA-N -1 3 281.315 3.138 20 0 CGADHM O=c1ccnc(C=Cc2ncc(-c3ccccc3)s2)[n-]1 ZINC000770572032 627627240 /nfs/dbraw/zinc/62/72/40/627627240.db2.gz LBZQRKALLZOHEK-SREVYHEPSA-N -1 3 281.340 3.476 20 0 CGADHM CCCCC[C@H](CC)C(=O)Nc1n[n-]c(SC)n1 ZINC000775684648 628125759 /nfs/dbraw/zinc/12/57/59/628125759.db2.gz NPMUYOAEFRZYPD-VIFPVBQESA-N -1 3 270.402 3.072 20 0 CGADHM [O-]C(=NO[C@H]1CCCCO1)Nc1cccc2ccsc21 ZINC000775689520 628126841 /nfs/dbraw/zinc/12/68/41/628126841.db2.gz MTSAPLMBWBFAIG-LBPRGKRZSA-N -1 3 292.360 3.481 20 0 CGADHM O=C([N-]O[C@H]1CCCCO1)Nc1cccc2ccsc21 ZINC000775689520 628126845 /nfs/dbraw/zinc/12/68/45/628126845.db2.gz MTSAPLMBWBFAIG-LBPRGKRZSA-N -1 3 292.360 3.481 20 0 CGADHM CC(Cl)(Cl)C(=O)[N-][C@H]1COc2ccc(Cl)cc21 ZINC000777028890 628245527 /nfs/dbraw/zinc/24/55/27/628245527.db2.gz UYVMXFADJIIZID-QMMMGPOBSA-N -1 3 294.565 3.084 20 0 CGADHM O=C(CCc1nc2ccccc2o1)[N-]OC1CCCCC1 ZINC000777950580 628314128 /nfs/dbraw/zinc/31/41/28/628314128.db2.gz TYTMQZORPZGVID-UHFFFAOYSA-N -1 3 288.347 3.141 20 0 CGADHM CCCOc1cccc(CC(=O)[N-]OC2CCCCC2)c1 ZINC000777958790 628314687 /nfs/dbraw/zinc/31/46/87/628314687.db2.gz PPYMTITVBSHEFG-UHFFFAOYSA-N -1 3 291.391 3.398 20 0 CGADHM C[C@H]1CCCC[C@@H]1CC(=O)[N-]OCCC(F)(F)F ZINC000777975424 628317634 /nfs/dbraw/zinc/31/76/34/628317634.db2.gz NVXFGILJDUULIF-VHSXEESVSA-N -1 3 267.291 3.203 20 0 CGADHM COc1ccc(F)cc1CNCc1ccc([O-])c(Cl)c1 ZINC000778184195 628332562 /nfs/dbraw/zinc/33/25/62/628332562.db2.gz DSQXKXOIGMAHKM-UHFFFAOYSA-N -1 3 295.741 3.483 20 0 CGADHM O=C1[N-]C(=O)C(=Cc2csc(C(F)(F)F)c2)S1 ZINC000874929861 634650693 /nfs/dbraw/zinc/65/06/93/634650693.db2.gz RTWPTDDWWJKGMI-ORCRQEGFSA-N -1 3 279.264 3.091 20 0 CGADHM CCOC(=O)c1cc(NC(=O)CCCCCC(C)C)[n-]n1 ZINC000781430832 628559454 /nfs/dbraw/zinc/55/94/54/628559454.db2.gz PGEHHJQLSCDWRD-UHFFFAOYSA-N -1 3 295.383 3.131 20 0 CGADHM CCOC(=O)c1cc(NC(=O)CCCCCC(C)C)n[n-]1 ZINC000781430832 628559457 /nfs/dbraw/zinc/55/94/57/628559457.db2.gz PGEHHJQLSCDWRD-UHFFFAOYSA-N -1 3 295.383 3.131 20 0 CGADHM O=S(=O)([N-]C(C1CCCC1)C1CCCC1)c1ccco1 ZINC000782474350 628649447 /nfs/dbraw/zinc/64/94/47/628649447.db2.gz WHWZDCYCQHAJNU-UHFFFAOYSA-N -1 3 297.420 3.307 20 0 CGADHM Cc1cc(Cl)ccc1OC(=O)c1cccc2nn[n-]c21 ZINC000783527482 628721899 /nfs/dbraw/zinc/72/18/99/628721899.db2.gz YRDSHXCOOWAEMQ-UHFFFAOYSA-N -1 3 287.706 3.139 20 0 CGADHM Cc1cc(Cl)ccc1OC(=O)c1cccc2[n-]nnc21 ZINC000783527482 628721902 /nfs/dbraw/zinc/72/19/02/628721902.db2.gz YRDSHXCOOWAEMQ-UHFFFAOYSA-N -1 3 287.706 3.139 20 0 CGADHM Cc1cc(Cl)ccc1OC(=O)c1cccc2n[n-]nc21 ZINC000783527482 628721906 /nfs/dbraw/zinc/72/19/06/628721906.db2.gz YRDSHXCOOWAEMQ-UHFFFAOYSA-N -1 3 287.706 3.139 20 0 CGADHM CC(C)[C@@H](F)C(=O)Nc1cc(Br)ccc1[O-] ZINC000784456650 628815102 /nfs/dbraw/zinc/81/51/02/628815102.db2.gz XEYAGTFLVZYUQV-SNVBAGLBSA-N -1 3 290.132 3.087 20 0 CGADHM C[C@H](COC(=O)c1cc2occc2[n-]1)C(F)(F)F ZINC000786029976 628907247 /nfs/dbraw/zinc/90/72/47/628907247.db2.gz KGWDXHUTFMGAMZ-ZCFIWIBFSA-N -1 3 261.199 3.116 20 0 CGADHM COc1cccc(COC(=O)c2cc3occc3[n-]2)c1 ZINC000786030562 628908645 /nfs/dbraw/zinc/90/86/45/628908645.db2.gz SJKVTAZFITTYLS-UHFFFAOYSA-N -1 3 271.272 3.127 20 0 CGADHM C[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1ccc[nH]1 ZINC000787170548 628998914 /nfs/dbraw/zinc/99/89/14/628998914.db2.gz YJJKWEQNHLJRLQ-NSHDSACASA-N -1 3 290.338 3.060 20 0 CGADHM CC(C)CCNC(=O)c1cc2sccc2c([O-])c1 ZINC000788262419 629043925 /nfs/dbraw/zinc/04/39/25/629043925.db2.gz DNFNCSGWVKSAOS-UHFFFAOYSA-N -1 3 263.362 3.383 20 0 CGADHM CC(C)CO[N-]C(=O)Cc1cccc(Cl)c1Cl ZINC000788760809 629079466 /nfs/dbraw/zinc/07/94/66/629079466.db2.gz DYYVVYKKPQKIIP-UHFFFAOYSA-N -1 3 276.163 3.240 20 0 CGADHM CCO[C@@H]1CCCN(C(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000792085324 629335753 /nfs/dbraw/zinc/33/57/53/629335753.db2.gz QGMAKPOEDVMQFB-OAHLLOKOSA-N -1 3 299.370 3.187 20 0 CGADHM CCCCC[C@@](C)(CC)C(=O)NCc1ncccc1[O-] ZINC000792609566 629370093 /nfs/dbraw/zinc/37/00/93/629370093.db2.gz CJVCKSCTKASTCH-MRXNPFEDSA-N -1 3 278.396 3.400 20 0 CGADHM CSCCO[N-]C(=O)CCC(C)(C)c1ccccc1 ZINC000794195264 629520844 /nfs/dbraw/zinc/52/08/44/629520844.db2.gz LKIVSUQFMJRXJM-UHFFFAOYSA-N -1 3 281.421 3.155 20 0 CGADHM C/C(=C\CN1CCC[C@@H](c2ccc(F)c(F)c2)C1)C(=O)[O-] ZINC000863471537 629581435 /nfs/dbraw/zinc/58/14/35/629581435.db2.gz VDVBYJUDQHZFCV-ASJRZHAZSA-N -1 3 295.329 3.175 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)CCC(=O)c1ccc(F)c(F)c1 ZINC000794854301 629588573 /nfs/dbraw/zinc/58/85/73/629588573.db2.gz QUVGVEAOOXJACG-JTQLQIEISA-N -1 3 299.317 3.022 20 0 CGADHM CCOC1CC(CO[N-]C(=O)CCC2CCCCC2)C1 ZINC000795205245 629645620 /nfs/dbraw/zinc/64/56/20/629645620.db2.gz PVIYOPCLRPHONT-UHFFFAOYSA-N -1 3 283.412 3.210 20 0 CGADHM COc1ccc(COc2ccc3c([O-])coc3c2)cc1C ZINC000864047282 629739985 /nfs/dbraw/zinc/73/99/85/629739985.db2.gz DZTZKVHSLRTUAM-UHFFFAOYSA-N -1 3 284.311 3.158 20 0 CGADHM CC(C)=CC[C@@H](NCc1c(F)cccc1Cl)C(=O)[O-] ZINC000864527981 629855073 /nfs/dbraw/zinc/85/50/73/629855073.db2.gz KVYKMZAMYGBYEO-CYBMUJFWSA-N -1 3 285.746 3.378 20 0 CGADHM CC(C)=CC[C@H](NCc1c(F)cc(C)cc1F)C(=O)[O-] ZINC000864528509 629855798 /nfs/dbraw/zinc/85/57/98/629855798.db2.gz PHEZZTZNVTWIRE-AWEZNQCLSA-N -1 3 283.318 3.172 20 0 CGADHM O=C(OCc1cc2ccccc2o1)c1ccc([O-])cc1 ZINC000797452125 629948901 /nfs/dbraw/zinc/94/89/01/629948901.db2.gz WTCOOZYOVNXWMH-UHFFFAOYSA-N -1 3 268.268 3.495 20 0 CGADHM O=C(C[C@H]1CCC(F)(F)C1)Nc1cccc([O-])c1F ZINC000797963719 630009638 /nfs/dbraw/zinc/00/96/38/630009638.db2.gz TXTDRBXKLXDJLV-MRVPVSSYSA-N -1 3 273.254 3.295 20 0 CGADHM O=C([N-]c1cc(Cl)c(Cl)cc1F)c1cnsn1 ZINC000798580047 630071670 /nfs/dbraw/zinc/07/16/70/630071670.db2.gz KAIMPMNCGRUSBI-UHFFFAOYSA-N -1 3 292.122 3.236 20 0 CGADHM COc1ccccc1CO[N-]C(=O)CCC1CCCC1 ZINC000799092322 630142257 /nfs/dbraw/zinc/14/22/57/630142257.db2.gz KTEIZNBOLUTLRI-UHFFFAOYSA-N -1 3 277.364 3.213 20 0 CGADHM [O-]c1cccc(CN[C@@H]2CCCC[C@@H]2F)c1Cl ZINC000865696820 630384856 /nfs/dbraw/zinc/38/48/56/630384856.db2.gz LLZHMCBTRMLMIM-WDEREUQCSA-N -1 3 257.736 3.416 20 0 CGADHM COc1cccc(C(=O)N2CCc3cc(C)c(C)cc32)c1[O-] ZINC000804319926 630519691 /nfs/dbraw/zinc/51/96/91/630519691.db2.gz VIAHQUMPJCNWRM-UHFFFAOYSA-N -1 3 297.354 3.221 20 0 CGADHM CC1(C)CC[C@H](OC(=O)c2cc3ccsc3[n-]2)C1=O ZINC000840071606 630574425 /nfs/dbraw/zinc/57/44/25/630574425.db2.gz FXHJHKJFYVFZCD-JTQLQIEISA-N -1 3 277.345 3.144 20 0 CGADHM C[C@@H](Cc1cccc(Cl)c1)C(=O)[N-]O[C@@H]1CCCCO1 ZINC000125883530 634823516 /nfs/dbraw/zinc/82/35/16/634823516.db2.gz YBOLHBBQEPDTBJ-SMDDNHRTSA-N -1 3 297.782 3.093 20 0 CGADHM C[C@@H]([N-]C(=O)C(C)(F)F)c1nc2cc(Cl)ccc2[nH]1 ZINC000808463343 630648011 /nfs/dbraw/zinc/64/80/11/630648011.db2.gz BPQDYZDDANOTCI-ZCFIWIBFSA-N -1 3 287.697 3.049 20 0 CGADHM CCC1(COC(=O)c2cc3cc(Cl)sc3[n-]2)COC1 ZINC000810623925 630909469 /nfs/dbraw/zinc/90/94/69/630909469.db2.gz IKRIAJBJPIYBRK-UHFFFAOYSA-N -1 3 299.779 3.466 20 0 CGADHM C[C@H]1OCC[C@H]1OC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000810691343 630927725 /nfs/dbraw/zinc/92/77/25/630927725.db2.gz AOZVBNKAFNYVHV-HZGVNTEJSA-N -1 3 285.752 3.217 20 0 CGADHM CCOC[C@@H](C)OC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000810714380 630932314 /nfs/dbraw/zinc/93/23/14/630932314.db2.gz CSZCNUGDVSQZSP-SSDOTTSWSA-N -1 3 287.768 3.465 20 0 CGADHM CCO[C@H]1C[C@@H]1COC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000810722961 630934561 /nfs/dbraw/zinc/93/45/61/630934561.db2.gz CAKGIKZPCAXQPI-SCZZXKLOSA-N -1 3 299.779 3.465 20 0 CGADHM C[C@@H]1C[C@@H]1c1ccc(CCC(=O)[N-]OC/C=C/Cl)o1 ZINC000812406987 631247099 /nfs/dbraw/zinc/24/70/99/631247099.db2.gz UBIGTBVCWRBBGN-XYORHVCWSA-N -1 3 283.755 3.136 20 0 CGADHM CC1(C)CCC(CC(=O)[N-]OC/C=C/Cl)CC1 ZINC000812407832 631248716 /nfs/dbraw/zinc/24/87/16/631248716.db2.gz OMAPAFNAXVREIU-FPYGCLRLSA-N -1 3 259.777 3.393 20 0 CGADHM CC1(C)CCCC[C@@H]1CC(=O)[N-]OC/C=C/Cl ZINC000812409241 631248704 /nfs/dbraw/zinc/24/87/04/631248704.db2.gz WUHCAGMHLIMDKL-AYLMVEPYSA-N -1 3 259.777 3.393 20 0 CGADHM CC(C)(CCC(=O)[N-]OC1CCC1)c1ccccc1 ZINC000812788626 631309025 /nfs/dbraw/zinc/30/90/25/631309025.db2.gz RUNZGCZCLIIPQN-UHFFFAOYSA-N -1 3 261.365 3.345 20 0 CGADHM CCCCc1ccc(CC(=O)[N-]OCCOC(C)C)cc1 ZINC000812802364 631317418 /nfs/dbraw/zinc/31/74/18/631317418.db2.gz JKMKNLKMHIIASF-UHFFFAOYSA-N -1 3 293.407 3.045 20 0 CGADHM [O-]c1ccc(CN2CCOc3cc(F)ccc32)cc1F ZINC000813338089 631412510 /nfs/dbraw/zinc/41/25/10/631412510.db2.gz BNYQTPRCNJPBBQ-UHFFFAOYSA-N -1 3 277.270 3.069 20 0 CGADHM CO[C@@H](COC(=O)c1cc2cc(Cl)sc2[n-]1)C1CC1 ZINC000816374569 631940834 /nfs/dbraw/zinc/94/08/34/631940834.db2.gz HVDXDSOAJCBYQW-JTQLQIEISA-N -1 3 299.779 3.465 20 0 CGADHM CC(=O)c1cccc(NC(=O)/C=C2\CC[C@H](C)C2)c1[O-] ZINC000816621002 632026507 /nfs/dbraw/zinc/02/65/07/632026507.db2.gz UVHOEFODLOHZCI-LZAIMSLLSA-N -1 3 273.332 3.280 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)[C@]1(C)CCc2ccccc2C1 ZINC000816980390 632068194 /nfs/dbraw/zinc/06/81/94/632068194.db2.gz KBGQBPJYEAZUTC-SUMWQHHRSA-N -1 3 275.392 3.276 20 0 CGADHM COc1cccc([C@H](C)CCCC(=O)[N-]OCC2CC2)c1 ZINC000817350082 632129988 /nfs/dbraw/zinc/12/99/88/632129988.db2.gz UIXNDJYLJYDQDW-CYBMUJFWSA-N -1 3 291.391 3.427 20 0 CGADHM CCC(CC)N(CC(C)C)C(=O)c1ccc(N)cc1[O-] ZINC000817960161 632256090 /nfs/dbraw/zinc/25/60/90/632256090.db2.gz XWDZEDBXLXVEDF-UHFFFAOYSA-N -1 3 278.396 3.261 20 0 CGADHM CCCO[N-]C(=O)CCCC(=O)c1c(C)cc(C)cc1C ZINC000844083505 635817364 /nfs/dbraw/zinc/81/73/64/635817364.db2.gz XVRPBDYAWNPQCS-UHFFFAOYSA-N -1 3 291.391 3.423 20 0 CGADHM CC(=CC(=O)Nc1[nH][n-]c2cc(=O)ccc1-2)c1ccccc1 ZINC000820213488 632590412 /nfs/dbraw/zinc/59/04/12/632590412.db2.gz NELCTYQIHAQJMB-LUAWRHEFSA-N -1 3 293.326 3.311 20 0 CGADHM O=C(C[C@H]1CC[C@@H](C2CC2)O1)Nc1c([O-])cccc1Cl ZINC000820559789 632647066 /nfs/dbraw/zinc/64/70/66/632647066.db2.gz ZDTZVRRNSGWUMD-MFKMUULPSA-N -1 3 295.766 3.332 20 0 CGADHM O=C(CCCc1ccsc1)[N-]OCCCC(F)(F)F ZINC000871214623 633730218 /nfs/dbraw/zinc/73/02/18/633730218.db2.gz PHXUWXQYZKSDAQ-UHFFFAOYSA-N -1 3 295.326 3.461 20 0 CGADHM COc1ccc(C(=O)[O-])c2c1CN([C@@H](C)CC(C)C)CC2 ZINC000871621125 633804450 /nfs/dbraw/zinc/80/44/50/633804450.db2.gz UEINWLGECRIHSX-LBPRGKRZSA-N -1 3 291.391 3.186 20 0 CGADHM Cc1ccc(CC(=O)[N-]OCc2c(C)cc(C)nc2C)cc1 ZINC000871729655 633844943 /nfs/dbraw/zinc/84/49/43/633844943.db2.gz XSHDOGMQKQDBDB-UHFFFAOYSA-N -1 3 298.386 3.106 20 0 CGADHM Cc1[n-]n(Cc2c(Cl)cccc2Cl)c(=O)c1F ZINC000871960733 633929326 /nfs/dbraw/zinc/92/93/26/633929326.db2.gz HBGPVTBGPULMPY-JTQLQIEISA-N -1 3 275.110 3.050 20 0 CGADHM COc1ccc(CN[C@H](C)c2cccc([O-])c2F)cc1O ZINC000872030407 633949158 /nfs/dbraw/zinc/94/91/58/633949158.db2.gz FAQPDKNCJICYIK-SNVBAGLBSA-N -1 3 291.322 3.096 20 0 CGADHM C[C@@H](N[C@H](CO)c1ccc(F)cc1)c1cccc([O-])c1F ZINC000872046053 633969126 /nfs/dbraw/zinc/96/91/26/633969126.db2.gz UPPZESMMEIJXOR-QMTHXVAHSA-N -1 3 293.313 3.055 20 0 CGADHM O=C(NCCC[C@@H]1C=CCC1)c1cc(=O)c2ccccc2[n-]1 ZINC000834338842 634147210 /nfs/dbraw/zinc/14/72/10/634147210.db2.gz VRRQJLACQYPQKZ-CYBMUJFWSA-N -1 3 296.370 3.004 20 0 CGADHM CCC[C@H](C)c1noc(Cc2ccc([O-])c(F)c2)n1 ZINC000834562293 634183348 /nfs/dbraw/zinc/18/33/48/634183348.db2.gz ITORKQGFOKNNIX-VIFPVBQESA-N -1 3 264.300 3.409 20 0 CGADHM C[C@H](OC(=O)c1cc2occc2[n-]1)C(=O)C1CCCCC1 ZINC000837682703 634965109 /nfs/dbraw/zinc/96/51/09/634965109.db2.gz RYFLHQKFFVDMHE-JTQLQIEISA-N -1 3 289.331 3.456 20 0 CGADHM CC[C@H](C(=O)[O-])N(C)Cc1cc2ccccc2nc1Cl ZINC000844839187 635973076 /nfs/dbraw/zinc/97/30/76/635973076.db2.gz JYVBIUXYUUASRA-CYBMUJFWSA-N -1 3 292.766 3.183 20 0 CGADHM O=C(c1cc2sccc2c([O-])c1)N1CCC[C@@H](F)C1 ZINC000846628754 636211973 /nfs/dbraw/zinc/21/19/73/636211973.db2.gz BXTATGJLGPWGJB-SNVBAGLBSA-N -1 3 279.336 3.181 20 0 CGADHM Cc1cccc2c(CC(=O)[N-]OCc3ccccc3)c[nH]c21 ZINC000130862808 636523741 /nfs/dbraw/zinc/52/37/41/636523741.db2.gz GJKPPGYZMCESPA-UHFFFAOYSA-N -1 3 294.354 3.267 20 0 CGADHM CC(C)Cc1ccc(C=Cc2nccc(=O)[n-]2)cc1 ZINC000131786475 636750145 /nfs/dbraw/zinc/75/01/45/636750145.db2.gz JIPXGZIZYOZXLN-BQYQJAHWSA-N -1 3 254.333 3.139 20 0 CGADHM CCC[C@H](C)CN1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000087612634 636795981 /nfs/dbraw/zinc/79/59/81/636795981.db2.gz XYMAODQDEHQUEA-SWLSCSKDSA-N -1 3 261.365 3.107 20 0 CGADHM C[C@H](OC(=O)c1cccc2nn[n-]c21)c1ccc(F)cc1 ZINC000800208212 636957662 /nfs/dbraw/zinc/95/76/62/636957662.db2.gz JYPOPVBYUMUVMV-VIFPVBQESA-N -1 3 285.278 3.015 20 0 CGADHM C[C@H](OC(=O)c1cccc2[n-]nnc21)c1ccc(F)cc1 ZINC000800208212 636957664 /nfs/dbraw/zinc/95/76/64/636957664.db2.gz JYPOPVBYUMUVMV-VIFPVBQESA-N -1 3 285.278 3.015 20 0 CGADHM C[C@H](OC(=O)c1cccc2n[n-]nc21)c1ccc(F)cc1 ZINC000800208212 636957668 /nfs/dbraw/zinc/95/76/68/636957668.db2.gz JYPOPVBYUMUVMV-VIFPVBQESA-N -1 3 285.278 3.015 20 0 CGADHM CC(C)CO[N-]C(=O)CCc1ccc([C@H]2C[C@@H]2C)o1 ZINC000135338705 637119489 /nfs/dbraw/zinc/11/94/89/637119489.db2.gz VVGPOWPHJVYBMM-AAEUAGOBSA-N -1 3 265.353 3.039 20 0 CGADHM CCc1nc(C)c(CO[N-]C(=O)CCC2CCCCC2)o1 ZINC000853665495 637886485 /nfs/dbraw/zinc/88/64/85/637886485.db2.gz NFWSZNGKCYJQIF-UHFFFAOYSA-N -1 3 294.395 3.454 20 0 CGADHM Cc1cc(=O)[n-]c(CSC[C@@H]2CC[C@@H]3C[C@@H]3C2)n1 ZINC000853770027 637914966 /nfs/dbraw/zinc/91/49/66/637914966.db2.gz NHJPCMAHYFVKMV-UTUOFQBUSA-N -1 3 264.394 3.160 20 0 CGADHM C[Si](C)(C)CCCC(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000854581436 638072522 /nfs/dbraw/zinc/07/25/22/638072522.db2.gz KICWWCSZZXCIBC-UHFFFAOYSA-N -1 3 291.427 3.325 20 0 CGADHM CCCCCCC(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000854581904 638072908 /nfs/dbraw/zinc/07/29/08/638072908.db2.gz BUGLENHTZYIMTN-UHFFFAOYSA-N -1 3 261.325 3.177 20 0 CGADHM O=C(CCc1ccc2ccccc2n1)[N-]OCC1CCC1 ZINC000856343662 638345877 /nfs/dbraw/zinc/34/58/77/638345877.db2.gz URDXFLUSSNDUPM-UHFFFAOYSA-N -1 3 284.359 3.015 20 0 CGADHM Cc1ccccc1[C@@H](C)CC(=O)[N-]OCC1CCC1 ZINC000856349234 638349599 /nfs/dbraw/zinc/34/95/99/638349599.db2.gz KYWLJVPRDDUCFD-ZDUSSCGKSA-N -1 3 261.365 3.337 20 0 CGADHM O=C(CCc1ccc2ccccc2c1O)[N-]OCC1CCC1 ZINC000856352350 638350958 /nfs/dbraw/zinc/35/09/58/638350958.db2.gz CRHBMIQGQYNOAV-UHFFFAOYSA-N -1 3 299.370 3.326 20 0 CGADHM CCc1nc(CN[C@@H](C)c2cc([O-])cc(F)c2)cs1 ZINC000924999221 638435230 /nfs/dbraw/zinc/43/52/30/638435230.db2.gz ODPIYZASPSFABC-VIFPVBQESA-N -1 3 280.368 3.401 20 0 CGADHM CC(C)n1ccc(CN[C@H](C)c2cc([O-])cc(F)c2)n1 ZINC000925106139 638454497 /nfs/dbraw/zinc/45/44/97/638454497.db2.gz MLKSJUXNAULEQQ-LLVKDONJSA-N -1 3 277.343 3.160 20 0 CGADHM Cc1ccc(C)c(NC(=O)c2[n-]cnc2C(F)(F)F)c1 ZINC000857428832 638506122 /nfs/dbraw/zinc/50/61/22/638506122.db2.gz HYMHKHOJKIHVKO-UHFFFAOYSA-N -1 3 283.253 3.298 20 0 CGADHM Cc1ccc(C)c(NC(=O)c2nc[n-]c2C(F)(F)F)c1 ZINC000857428832 638506126 /nfs/dbraw/zinc/50/61/26/638506126.db2.gz HYMHKHOJKIHVKO-UHFFFAOYSA-N -1 3 283.253 3.298 20 0 CGADHM CC(C)(C)c1ncsc1C(=O)[N-]c1ccnc(F)c1F ZINC000857697124 638556381 /nfs/dbraw/zinc/55/63/81/638556381.db2.gz ODDCIWINUWVQJT-UHFFFAOYSA-N -1 3 297.330 3.366 20 0 CGADHM Cc1nccnc1[C@@H](C)N[C@@H](C)c1cc([O-])cc(F)c1 ZINC000926838581 638816333 /nfs/dbraw/zinc/81/63/33/638816333.db2.gz SXRXRXBCJAMUPY-GXSJLCMTSA-N -1 3 275.327 3.042 20 0 CGADHM C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000928038287 638871300 /nfs/dbraw/zinc/87/13/00/638871300.db2.gz KHHAELQWVFVFEV-IKVITTDRSA-N -1 3 291.366 3.015 20 0 CGADHM Cc1noc(C(C)C)c1[N-]C(=O)c1ccc(C=O)s1 ZINC000928779245 638891189 /nfs/dbraw/zinc/89/11/89/638891189.db2.gz DFJPGJSZUVJMCD-UHFFFAOYSA-N -1 3 278.333 3.233 20 0 CGADHM CC[C@H](CCc1ccccc1)[N-]C(=O)C(F)(F)F ZINC000859292623 639125248 /nfs/dbraw/zinc/12/52/48/639125248.db2.gz GEKZHZRPULEYKM-LLVKDONJSA-N -1 3 259.271 3.076 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)Cc1ccc(F)c(Cl)c1 ZINC000861807934 639615898 /nfs/dbraw/zinc/61/58/98/639615898.db2.gz DLOYNTCCJYRMIL-VIFPVBQESA-N -1 3 273.735 3.116 20 0 CGADHM O=C(C[C@@H]1CCCC1(F)F)Nc1cccc([O-])c1F ZINC000935137322 639754548 /nfs/dbraw/zinc/75/45/48/639754548.db2.gz KIEDDRPFWYHDMV-QMMMGPOBSA-N -1 3 273.254 3.295 20 0 CGADHM [O-]c1ccc(CNCc2coc(-c3ccccc3)n2)cc1F ZINC000156283840 639975454 /nfs/dbraw/zinc/97/54/54/639975454.db2.gz UNTANBACJDZFFV-UHFFFAOYSA-N -1 3 298.317 3.476 20 0 CGADHM CCCc1ccc(NC(=O)c2cccc3n[n-]nc32)cc1 ZINC000189580417 640200249 /nfs/dbraw/zinc/20/02/49/640200249.db2.gz CUXIFRZIIPPJGL-UHFFFAOYSA-N -1 3 280.331 3.163 20 0 CGADHM CCc1ccc(C(=O)Nc2ccc(O)cc2CC)c([O-])c1 ZINC000191060606 640286725 /nfs/dbraw/zinc/28/67/25/640286725.db2.gz VRSKLXSPSKSWMM-UHFFFAOYSA-N -1 3 285.343 3.475 20 0 CGADHM C[C@@H](CC(=O)[N-]OCc1ccccc1)c1ccccc1 ZINC000248143719 640744246 /nfs/dbraw/zinc/74/42/46/640744246.db2.gz DDSRDFRHTKOKIF-AWEZNQCLSA-N -1 3 269.344 3.428 20 0 CGADHM CN(C)c1ccc(Cc2c(F)ccc([O-])c2F)cc1 ZINC001250431541 805611367 /nfs/dbraw/zinc/61/13/67/805611367.db2.gz OTWWEOBJINZSCO-UHFFFAOYSA-N -1 3 263.287 3.327 20 0 CGADHM [O-]c1cc(-c2ncc(F)cn2)cc(C(F)(F)F)c1 ZINC001250476601 805641973 /nfs/dbraw/zinc/64/19/73/805641973.db2.gz KBGHYULAEZTSHJ-UHFFFAOYSA-N -1 3 258.174 3.007 20 0 CGADHM O=c1ccc(-c2nc3c(cc(F)cc3Cl)[n-]2)c[nH]1 ZINC001250528752 805678503 /nfs/dbraw/zinc/67/85/03/805678503.db2.gz VRCPVCTZEPRGGY-UHFFFAOYSA-N -1 3 263.659 3.123 20 0 CGADHM Cc1cc(-c2ccc(C(N)=O)cc2)cc(Cl)c1[O-] ZINC001250613841 805724647 /nfs/dbraw/zinc/72/46/47/805724647.db2.gz IFGRAGNVOKZXHD-UHFFFAOYSA-N -1 3 261.708 3.120 20 0 CGADHM [O-]C(=Cc1nc(-c2ccccn2)no1)c1ccccc1Cl ZINC001211647353 814925408 /nfs/dbraw/zinc/92/54/08/814925408.db2.gz LIMUHLKZSASXJZ-UHFFFAOYSA-N -1 3 299.717 3.210 20 0 CGADHM CCOc1ccc2nc(-c3ccc([O-])cc3F)n(C)c2c1 ZINC001250845374 805786769 /nfs/dbraw/zinc/78/67/69/805786769.db2.gz CXBMQYIVCKVCPT-UHFFFAOYSA-N -1 3 286.306 3.484 20 0 CGADHM COc1cccc2c1nc(-c1ccc([O-])cc1F)n2C ZINC001250846121 805787635 /nfs/dbraw/zinc/78/76/35/805787635.db2.gz PKRJFQMPCUZIQN-UHFFFAOYSA-N -1 3 272.279 3.094 20 0 CGADHM Cn1c(-c2cccc([O-])c2F)nc2cccc(F)c21 ZINC001251255789 805874255 /nfs/dbraw/zinc/87/42/55/805874255.db2.gz ZIPHTQINXJSSAL-UHFFFAOYSA-N -1 3 260.243 3.224 20 0 CGADHM COc1ccc(-c2nnc(-c3c(C)cccc3[O-])o2)cc1 ZINC001252021277 805975619 /nfs/dbraw/zinc/97/56/19/805975619.db2.gz BQWMPPDCUZZRPV-UHFFFAOYSA-N -1 3 282.299 3.426 20 0 CGADHM Cc1cc(O)cc([O-])c1-c1nnc(-c2ccc(F)cc2)o1 ZINC001252260896 806033495 /nfs/dbraw/zinc/03/34/95/806033495.db2.gz WLXVGQGBXYVZDX-UHFFFAOYSA-N -1 3 286.262 3.262 20 0 CGADHM c1nn[n-]c1-c1nnc(-c2ccc(-c3ccccc3)cc2)o1 ZINC001252573821 806072556 /nfs/dbraw/zinc/07/25/56/806072556.db2.gz WFQVPXZDRFOYEK-UHFFFAOYSA-N -1 3 289.298 3.189 20 0 CGADHM c1[n-]nnc1-c1nnc(-c2ccc(-c3ccccc3)cc2)o1 ZINC001252573821 806072564 /nfs/dbraw/zinc/07/25/64/806072564.db2.gz WFQVPXZDRFOYEK-UHFFFAOYSA-N -1 3 289.298 3.189 20 0 CGADHM c1n[n-]nc1-c1nnc(-c2ccc(-c3ccccc3)cc2)o1 ZINC001252573821 806072573 /nfs/dbraw/zinc/07/25/73/806072573.db2.gz WFQVPXZDRFOYEK-UHFFFAOYSA-N -1 3 289.298 3.189 20 0 CGADHM CC1=C(C)C[C@](C)(C(=O)[N-]OCCC2CC2)CC1 ZINC001159484865 806112702 /nfs/dbraw/zinc/11/27/02/806112702.db2.gz CZUJKXSJSWGKJD-OAHLLOKOSA-N -1 3 251.370 3.361 20 0 CGADHM Cc1ccc(NC(=O)c2c[n-]c3c(C)cccc3c2=O)cc1 ZINC001160357635 806259239 /nfs/dbraw/zinc/25/92/39/806259239.db2.gz NPDUGENUUKKHJO-UHFFFAOYSA-N -1 3 292.338 3.397 20 0 CGADHM CCCS(=O)(=O)[N-]c1cc(Cl)cc2cnccc21 ZINC001253711201 806281992 /nfs/dbraw/zinc/28/19/92/806281992.db2.gz SWLWCRZNIRWDOO-UHFFFAOYSA-N -1 3 284.768 3.040 20 0 CGADHM C[C@H](C(=O)Nc1ccc(Cl)cc1[O-])n1cccc1 ZINC001253711143 806282849 /nfs/dbraw/zinc/28/28/49/806282849.db2.gz ATGHXXREAYIDCD-SECBINFHSA-N -1 3 264.712 3.047 20 0 CGADHM CCCCS(=O)(=O)[N-]c1c(F)cccc1C(F)(F)F ZINC001253770685 806303645 /nfs/dbraw/zinc/30/36/45/806303645.db2.gz VRYWFMLKSWTDMF-UHFFFAOYSA-N -1 3 299.289 3.386 20 0 CGADHM CCCc1nnc(-c2cccc(OC(F)(F)F)c2[O-])o1 ZINC001254026411 806332195 /nfs/dbraw/zinc/33/21/95/806332195.db2.gz PRVHDNOHGMZKCG-UHFFFAOYSA-N -1 3 288.225 3.293 20 0 CGADHM CCC[C@@H]1CCCC[C@@H]1CNC(=O)c1ccc(O)cc1[O-] ZINC001161843942 806469436 /nfs/dbraw/zinc/46/94/36/806469436.db2.gz NRLUHQMTNIKLKI-CHWSQXEVSA-N -1 3 291.391 3.434 20 0 CGADHM CCC[C@H]1CCCC[C@@H]1CNC(=O)c1ccc(O)cc1[O-] ZINC001161843946 806469547 /nfs/dbraw/zinc/46/95/47/806469547.db2.gz NRLUHQMTNIKLKI-QWHCGFSZSA-N -1 3 291.391 3.434 20 0 CGADHM Cc1ccc([O-])c(-c2nnc([C@H]3C[C@@H]3c3ccccc3)o2)n1 ZINC001254653449 806475491 /nfs/dbraw/zinc/47/54/91/806475491.db2.gz MPKZOURSQTUORL-OLZOCXBDSA-N -1 3 293.326 3.417 20 0 CGADHM O=c1[n-]c(-c2nnc([C@H]3C[C@@H]3c3ccccc3)o2)ccc1F ZINC001254654498 806475696 /nfs/dbraw/zinc/47/56/96/806475696.db2.gz PSQRWZIKEOINKV-MNOVXSKESA-N -1 3 297.289 3.247 20 0 CGADHM O=C(c1c([O-])cccc1O)N1CCC[C@@H](C2CCCC2)C1 ZINC001161908660 806481881 /nfs/dbraw/zinc/48/18/81/806481881.db2.gz RNFBWTCPGGYRGX-CYBMUJFWSA-N -1 3 289.375 3.140 20 0 CGADHM O=C([O-])[C@H](NCc1ccccc1)c1ccc(Cl)cc1 ZINC000037952401 798880575 /nfs/dbraw/zinc/88/05/75/798880575.db2.gz RNHOEIARONFZNJ-CQSZACIVSA-N -1 3 275.735 3.256 20 0 CGADHM O=C(Cc1ccc2c(c1)CCCC2)[N-]OCc1ccccc1 ZINC000069368848 798913046 /nfs/dbraw/zinc/91/30/46/798913046.db2.gz HVBZXBZHMPJCMQ-UHFFFAOYSA-N -1 3 295.382 3.356 20 0 CGADHM Cc1cc(Cl)ccc1CN1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000405314193 799583042 /nfs/dbraw/zinc/58/30/42/799583042.db2.gz HSDJRZKOIJRUCP-AWEZNQCLSA-N -1 3 293.794 3.335 20 0 CGADHM Cc1cccc([O-])c1-c1nnc(Cc2ccccc2F)o1 ZINC001255861598 806773783 /nfs/dbraw/zinc/77/37/83/806773783.db2.gz ZUJHDFKTRLPCIV-UHFFFAOYSA-N -1 3 284.290 3.481 20 0 CGADHM CCO[C@@H]1CCN(Cc2ccc([O-])c(C(F)(F)F)c2)C1 ZINC000701667873 799893563 /nfs/dbraw/zinc/89/35/63/799893563.db2.gz OOLRUQCPAOTYGB-LLVKDONJSA-N -1 3 289.297 3.022 20 0 CGADHM CC1(C)C[C@@]1(C)CNC(=O)c1cc([O-])ccc1Cl ZINC000702373859 799909791 /nfs/dbraw/zinc/90/97/91/799909791.db2.gz QUSBZBCWWYOZIH-AWEZNQCLSA-N -1 3 267.756 3.212 20 0 CGADHM CCCC1CCN(C(=O)c2c(C)cccc2[O-])CC1 ZINC000706619522 799964494 /nfs/dbraw/zinc/96/44/94/799964494.db2.gz UUHCPHWTNPVNSB-UHFFFAOYSA-N -1 3 261.365 3.353 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CC[C@@](C)(C(F)(F)F)C1 ZINC000709363263 800007436 /nfs/dbraw/zinc/00/74/36/800007436.db2.gz IEQUSVZTMCOTTA-CYBMUJFWSA-N -1 3 287.281 3.115 20 0 CGADHM CSCC1CCN([C@@H](C)c2ccc(C(=O)[O-])o2)CC1 ZINC000719246662 800234022 /nfs/dbraw/zinc/23/40/22/800234022.db2.gz MAFLYSYHWOZNDS-JTQLQIEISA-N -1 3 283.393 3.114 20 0 CGADHM C[C@@H]1CN(Cc2cc(F)ccc2Cl)C[C@H]1CC(=O)[O-] ZINC000722603861 800323689 /nfs/dbraw/zinc/32/36/89/800323689.db2.gz NYOSESWGSYJTAG-NXEZZACHSA-N -1 3 285.746 3.022 20 0 CGADHM Cc1ccc(-c2nnc(-c3cncc([O-])c3)o2)cc1C ZINC001256582016 806920926 /nfs/dbraw/zinc/92/09/26/806920926.db2.gz AOIYWLGBAGBZAT-UHFFFAOYSA-N -1 3 267.288 3.121 20 0 CGADHM O=S(=O)(CCC(F)(F)F)[N-]c1csc(Cl)c1 ZINC001259866720 807690228 /nfs/dbraw/zinc/69/02/28/807690228.db2.gz NBQBCHVGYBAUKJ-UHFFFAOYSA-N -1 3 293.719 3.096 20 0 CGADHM O=C(CNc1cccc(Cl)c1)Nc1cccc([O-])c1F ZINC001116405071 802343204 /nfs/dbraw/zinc/34/32/04/802343204.db2.gz SBUCIZNKFXCYFM-UHFFFAOYSA-N -1 3 294.713 3.235 20 0 CGADHM CCCc1ccc(CS(=O)(=O)c2cccc([O-])c2)cc1 ZINC001116590102 802382798 /nfs/dbraw/zinc/38/27/98/802382798.db2.gz FYVAQMAQHSYAEF-UHFFFAOYSA-N -1 3 290.384 3.319 20 0 CGADHM CC(C)(C)c1nsc([N-]c2csc(CO)c2)n1 ZINC001176368493 809679408 /nfs/dbraw/zinc/67/94/08/809679408.db2.gz WEXXOTFALRFMRY-UHFFFAOYSA-N -1 3 269.395 3.133 20 0 CGADHM CCc1cccc(C(=O)Nc2cnoc2C(C)C)c1[O-] ZINC001120772180 802775306 /nfs/dbraw/zinc/77/53/06/802775306.db2.gz IDOKSVUOTYKPEY-UHFFFAOYSA-N -1 3 274.320 3.318 20 0 CGADHM Cc1ccc2c(cccc2-c2cccc(-c3nnn[n-]3)c2)n1 ZINC001243738366 802976672 /nfs/dbraw/zinc/97/66/72/802976672.db2.gz ASTWIITZAQZHSU-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM Cc1ccc2c(cccc2-c2cccc(-c3nn[n-]n3)c2)n1 ZINC001243738366 802976674 /nfs/dbraw/zinc/97/66/74/802976674.db2.gz ASTWIITZAQZHSU-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM O=C(Oc1ccc(F)cc1)c1cccc(Cl)c1[O-] ZINC001124372939 803018664 /nfs/dbraw/zinc/01/86/64/803018664.db2.gz FKTXIYOUMYVTPJ-UHFFFAOYSA-N -1 3 266.655 3.404 20 0 CGADHM O=C1COc2cccc(-c3c([O-])cccc3Cl)c2N1 ZINC001244047407 803159483 /nfs/dbraw/zinc/15/94/83/803159483.db2.gz DYWISWOVOJSXNC-UHFFFAOYSA-N -1 3 275.691 3.044 20 0 CGADHM CN1CCc2c(F)cc(-c3cc(F)c([O-])c(F)c3)cc2C1 ZINC001244098595 803186673 /nfs/dbraw/zinc/18/66/73/803186673.db2.gz MRHIKUUKFVGMHW-UHFFFAOYSA-N -1 3 293.288 3.464 20 0 CGADHM Fc1ccc(Cl)c(-c2ccc(-c3nnn[n-]3)cc2)c1F ZINC001244305589 803288864 /nfs/dbraw/zinc/28/88/64/803288864.db2.gz DFLJEFMWKPOAAA-UHFFFAOYSA-N -1 3 292.676 3.465 20 0 CGADHM Fc1ccc(Cl)c(-c2ccc(-c3nn[n-]n3)cc2)c1F ZINC001244305589 803288869 /nfs/dbraw/zinc/28/88/69/803288869.db2.gz DFLJEFMWKPOAAA-UHFFFAOYSA-N -1 3 292.676 3.465 20 0 CGADHM Cc1ccc(-c2cncc(-c3nnn[n-]3)c2)cc1OC(C)C ZINC001244444292 803369693 /nfs/dbraw/zinc/36/96/93/803369693.db2.gz HNAQSBHEYYHJCI-UHFFFAOYSA-N -1 3 295.346 3.024 20 0 CGADHM Cc1ccc(-c2cncc(-c3nn[n-]n3)c2)cc1OC(C)C ZINC001244444292 803369701 /nfs/dbraw/zinc/36/97/01/803369701.db2.gz HNAQSBHEYYHJCI-UHFFFAOYSA-N -1 3 295.346 3.024 20 0 CGADHM Cc1cc(-c2cc(OC(F)(F)F)ccc2[O-])nc(C)n1 ZINC001244456057 803378176 /nfs/dbraw/zinc/37/81/76/803378176.db2.gz OPZUFGMFVNFQTQ-UHFFFAOYSA-N -1 3 284.237 3.365 20 0 CGADHM COc1cc2nccn2cc1-c1ccc(Cl)cc1[O-] ZINC001244473891 803388286 /nfs/dbraw/zinc/38/82/86/803388286.db2.gz ZTISSLKTTQGUFL-UHFFFAOYSA-N -1 3 274.707 3.369 20 0 CGADHM CN1CCc2c(cccc2-c2ccc(Cl)cc2[O-])C1=O ZINC001244472890 803388564 /nfs/dbraw/zinc/38/85/64/803388564.db2.gz SCYQJPVTTYHVSP-UHFFFAOYSA-N -1 3 287.746 3.341 20 0 CGADHM CCCNc1ccnc(-c2cc(C)c(F)c([O-])c2)n1 ZINC001244496437 803403538 /nfs/dbraw/zinc/40/35/38/803403538.db2.gz RHBZJVMHIORQHT-UHFFFAOYSA-N -1 3 261.300 3.119 20 0 CGADHM CCO/C=C\c1nccnc1-c1cc(C)c(F)c([O-])c1 ZINC001244506067 803410027 /nfs/dbraw/zinc/41/00/27/803410027.db2.gz BTHGAZVUKWFZOW-DAXSKMNVSA-N -1 3 274.295 3.304 20 0 CGADHM Cc1cc(-c2ncnc3cc4c(cc32)OCO4)cc([O-])c1F ZINC001244506816 803411552 /nfs/dbraw/zinc/41/15/52/803411552.db2.gz IIGKRROIXWRDNG-UHFFFAOYSA-N -1 3 298.273 3.179 20 0 CGADHM Cc1noc(-c2ccnc(-c3cc(C)c(F)c([O-])c3)c2)n1 ZINC001244508362 803412013 /nfs/dbraw/zinc/41/20/13/803412013.db2.gz REYBKVQUNPZZMA-UHFFFAOYSA-N -1 3 285.278 3.260 20 0 CGADHM Cc1cc(-c2cccc3c2ncn3C)cc([O-])c1F ZINC001244515215 803414290 /nfs/dbraw/zinc/41/42/90/803414290.db2.gz FGLWWKDFXYHYGM-UHFFFAOYSA-N -1 3 256.280 3.393 20 0 CGADHM Cc1cc(-c2cncc(C(=O)NC(C)C)c2)cc([O-])c1F ZINC001244524811 803417590 /nfs/dbraw/zinc/41/75/90/803417590.db2.gz GOYAYLVXKMOSPE-UHFFFAOYSA-N -1 3 288.322 3.040 20 0 CGADHM Cc1cc(-c2ccc([C@H]3CCC(=O)N3)cc2)cc([O-])c1F ZINC001244524574 803417629 /nfs/dbraw/zinc/41/76/29/803417629.db2.gz CIYZXZWNCFRGMP-CQSZACIVSA-N -1 3 285.318 3.458 20 0 CGADHM Cc1cc(-c2ccc(C(N)=S)cc2)cc([O-])c1F ZINC001244524829 803417644 /nfs/dbraw/zinc/41/76/44/803417644.db2.gz GTQHLOOSSTUMAX-UHFFFAOYSA-N -1 3 261.321 3.141 20 0 CGADHM Cc1cc(-c2ccc(=O)n(-c3cccnc3)c2)cc([O-])c1F ZINC001244525752 803419106 /nfs/dbraw/zinc/41/91/06/803419106.db2.gz QBPIWNORFFNPCR-UHFFFAOYSA-N -1 3 296.301 3.053 20 0 CGADHM Cc1cc(-c2cnc(OCC3CCC3)nc2)cc([O-])c1F ZINC001244526366 803420017 /nfs/dbraw/zinc/42/00/17/803420017.db2.gz ZMLFYPNKBYOCCQ-UHFFFAOYSA-N -1 3 288.322 3.476 20 0 CGADHM COC(=O)c1cncc(-c2cc(C)c([O-])c(Cl)c2)c1 ZINC001244538196 803425030 /nfs/dbraw/zinc/42/50/30/803425030.db2.gz RYFHEBNPOKBVCC-UHFFFAOYSA-N -1 3 277.707 3.203 20 0 CGADHM COc1cncc(OC)c1-c1cc(Cl)ccc1[O-] ZINC001245052313 803624216 /nfs/dbraw/zinc/62/42/16/803624216.db2.gz OBXZXEYOPQGTAQ-UHFFFAOYSA-N -1 3 265.696 3.125 20 0 CGADHM [O-]c1ccc(-c2ncnc3sncc32)c(Cl)c1 ZINC001245077826 803634252 /nfs/dbraw/zinc/63/42/52/803634252.db2.gz FKRGGJYBZHCROH-UHFFFAOYSA-N -1 3 263.709 3.112 20 0 CGADHM CSc1cnc(-c2ccc([O-])cc2Cl)nc1 ZINC001245079492 803634522 /nfs/dbraw/zinc/63/45/22/803634522.db2.gz TZJSFXXMRDQUBV-UHFFFAOYSA-N -1 3 252.726 3.225 20 0 CGADHM Cc1noc(-c2ccnc(-c3ccc([O-])cc3Cl)c2)n1 ZINC001245080291 803635910 /nfs/dbraw/zinc/63/59/10/803635910.db2.gz YOAZYKKJDNWOEY-UHFFFAOYSA-N -1 3 287.706 3.466 20 0 CGADHM Cc1noc2ccc(-c3ccc(F)c(-c4nnn[n-]4)c3)cc12 ZINC001245280641 803691180 /nfs/dbraw/zinc/69/11/80/803691180.db2.gz FYCOHTZYBNKJNI-UHFFFAOYSA-N -1 3 295.277 3.122 20 0 CGADHM Cc1noc2ccc(-c3ccc(F)c(-c4nn[n-]n4)c3)cc12 ZINC001245280641 803691182 /nfs/dbraw/zinc/69/11/82/803691182.db2.gz FYCOHTZYBNKJNI-UHFFFAOYSA-N -1 3 295.277 3.122 20 0 CGADHM Cc1cccc2[nH]c(-c3ccc(Cc4nnn[n-]4)cc3)cc21 ZINC001245343700 803704972 /nfs/dbraw/zinc/70/49/72/803704972.db2.gz VBWFDXHHBBTOMB-UHFFFAOYSA-N -1 3 289.342 3.247 20 0 CGADHM Cc1cccc2[nH]c(-c3ccc(Cc4nn[n-]n4)cc3)cc21 ZINC001245343700 803704974 /nfs/dbraw/zinc/70/49/74/803704974.db2.gz VBWFDXHHBBTOMB-UHFFFAOYSA-N -1 3 289.342 3.247 20 0 CGADHM Cc1ncccc1/C=C\C(=O)Nc1cc(Cl)ccc1[O-] ZINC001137702278 803760545 /nfs/dbraw/zinc/76/05/45/803760545.db2.gz VLBSGHNKGMKZKA-DAXSKMNVSA-N -1 3 288.734 3.401 20 0 CGADHM [O-]c1ccc(Nc2nc(F)ccc2F)c(F)c1F ZINC001212005721 814965451 /nfs/dbraw/zinc/96/54/51/814965451.db2.gz RGIFVDSWAGULJY-UHFFFAOYSA-N -1 3 258.174 3.087 20 0 CGADHM Nc1cccc2c1c(Cl)nn2-c1ccc([O-])c(F)c1F ZINC001212013846 814966502 /nfs/dbraw/zinc/96/65/02/814966502.db2.gz MBKFQTXJCRDRLU-UHFFFAOYSA-N -1 3 295.676 3.245 20 0 CGADHM Cc1ccoc1CC(=O)Nc1ccc(Cl)cc1[O-] ZINC001138015218 803825651 /nfs/dbraw/zinc/82/56/51/803825651.db2.gz VVABUJIHIKDTHR-UHFFFAOYSA-N -1 3 265.696 3.128 20 0 CGADHM [O-]c1cc(-c2cccc3cncn32)c(F)c(F)c1F ZINC001245639022 803876631 /nfs/dbraw/zinc/87/66/31/803876631.db2.gz NGVCKFIQXFZTGY-UHFFFAOYSA-N -1 3 264.206 3.124 20 0 CGADHM O=c1cc(-c2c([O-])cccc2F)ccn1-c1ccccc1F ZINC001245653258 803885143 /nfs/dbraw/zinc/88/51/43/803885143.db2.gz BPNMIUFUJXJAFK-UHFFFAOYSA-N -1 3 299.276 3.488 20 0 CGADHM [O-]c1cccc(F)c1-c1ccc(C2OCCO2)c(F)c1 ZINC001245655401 803887564 /nfs/dbraw/zinc/88/75/64/803887564.db2.gz JIFKLXZVUIPXLE-UHFFFAOYSA-N -1 3 278.254 3.383 20 0 CGADHM C[C@H]1C(=O)Nc2ccc(-c3c([O-])cccc3F)cc21 ZINC001245655158 803888714 /nfs/dbraw/zinc/88/87/14/803888714.db2.gz WCURANYWRUZZAM-MRVPVSSYSA-N -1 3 257.264 3.254 20 0 CGADHM CC1(c2cccc(-c3c([O-])cccc3F)c2)OCCO1 ZINC001245655795 803888760 /nfs/dbraw/zinc/88/87/60/803888760.db2.gz MUYRQHXCAPTNBH-UHFFFAOYSA-N -1 3 274.291 3.418 20 0 CGADHM COC(=O)c1nc2cc(-c3c([O-])cccc3F)ccc2o1 ZINC001245656904 803891040 /nfs/dbraw/zinc/89/10/40/803891040.db2.gz XOOZRUYVSRXUBE-UHFFFAOYSA-N -1 3 287.246 3.126 20 0 CGADHM O=C1c2cc(-c3c([O-])cccc3F)ccc2CN1C1CC1 ZINC001245656448 803891169 /nfs/dbraw/zinc/89/11/69/803891169.db2.gz RBTFPKUSIAHNJN-UHFFFAOYSA-N -1 3 283.302 3.317 20 0 CGADHM COC(=O)c1cccc(C)c1-c1c([O-])cccc1F ZINC001245656697 803891389 /nfs/dbraw/zinc/89/13/89/803891389.db2.gz RIADDCJZBAPYGH-UHFFFAOYSA-N -1 3 260.264 3.293 20 0 CGADHM [O-]c1cccc(Nc2ccncc2Cl)c1Br ZINC001212162693 814987540 /nfs/dbraw/zinc/98/75/40/814987540.db2.gz VNVHQBCMEXCZIE-UHFFFAOYSA-N -1 3 299.555 3.369 20 0 CGADHM [O-]c1cnccc1CN1CCSC[C@@H]1c1ccccc1 ZINC001140277429 804407096 /nfs/dbraw/zinc/40/70/96/804407096.db2.gz ZDZCKLRIGXCGIJ-OAHLLOKOSA-N -1 3 286.400 3.077 20 0 CGADHM [O-]c1c(F)cc(CN2CC[C@H](c3ccncc3)C2)cc1F ZINC001140989918 804563017 /nfs/dbraw/zinc/56/30/17/804563017.db2.gz GTJHMGKXRPZGEN-ZDUSSCGKSA-N -1 3 290.313 3.055 20 0 CGADHM [O-]c1c(F)cc(CN2CC[C@@H](c3cccnc3)C2)cc1F ZINC001140990926 804563656 /nfs/dbraw/zinc/56/36/56/804563656.db2.gz DFGPCVVWXYNDJZ-CYBMUJFWSA-N -1 3 290.313 3.055 20 0 CGADHM [O-]c1c(F)cc(CN2C[C@H]3CC[C@@H](C2)C3(F)F)cc1F ZINC001140988943 804564713 /nfs/dbraw/zinc/56/47/13/804564713.db2.gz RKZCKLNAVMEDAK-AOOOYVTPSA-N -1 3 289.272 3.148 20 0 CGADHM Cc1ncccc1CN(C)Cc1cc(F)c([O-])c(F)c1 ZINC001140992227 804564787 /nfs/dbraw/zinc/56/47/87/804564787.db2.gz UAYQLTSPIPQIMV-UHFFFAOYSA-N -1 3 278.302 3.006 20 0 CGADHM O=C(C[C@@H]1CCC[C@@H](C(F)(F)F)C1)[N-]OCC1CC1 ZINC001141399741 804638469 /nfs/dbraw/zinc/63/84/69/804638469.db2.gz VAXDWUUISAAZMU-GHMZBOCLSA-N -1 3 279.302 3.203 20 0 CGADHM CSc1cccnc1C(=O)Nc1c([O-])cccc1Cl ZINC001141469207 804643905 /nfs/dbraw/zinc/64/39/05/804643905.db2.gz LSZFWHOPIUWDOX-UHFFFAOYSA-N -1 3 294.763 3.415 20 0 CGADHM Cc1cnc(Cl)c(Nc2cc(F)cc(F)c2[O-])n1 ZINC001212481644 815035737 /nfs/dbraw/zinc/03/57/37/815035737.db2.gz AYKPSUFORUQZII-UHFFFAOYSA-N -1 3 271.654 3.166 20 0 CGADHM CCCCc1nnc(NC(=O)c2c(C)cccc2[O-])s1 ZINC001142059785 804692751 /nfs/dbraw/zinc/69/27/51/804692751.db2.gz ZSEXSRRSJDVWOV-UHFFFAOYSA-N -1 3 291.376 3.147 20 0 CGADHM [O-]c1cc(Cl)c(CN2C[C@@H]3C[C@@H]3[C@@H](F)C2)c(Cl)c1 ZINC001142105569 804694855 /nfs/dbraw/zinc/69/48/55/804694855.db2.gz FWUGONYFYBNWRD-XICLSFFLSA-N -1 3 290.165 3.489 20 0 CGADHM CN(Cc1c(Cl)cc([O-])cc1Cl)[C@H]1CCCOC1 ZINC001142122104 804696562 /nfs/dbraw/zinc/69/65/62/804696562.db2.gz JOPOCHRGVPXNFY-VIFPVBQESA-N -1 3 290.190 3.310 20 0 CGADHM CC[C@@H]1COCCN1Cc1c(Cl)cc([O-])cc1Cl ZINC001142115092 804696626 /nfs/dbraw/zinc/69/66/26/804696626.db2.gz WSWDISBHAIZEBY-SECBINFHSA-N -1 3 290.190 3.310 20 0 CGADHM CCc1ncsc1Nc1cc(F)cc(F)c1[O-] ZINC001212484243 815037508 /nfs/dbraw/zinc/03/75/08/815037508.db2.gz SENBAEPSEJONGY-UHFFFAOYSA-N -1 3 256.277 3.433 20 0 CGADHM [O-]c1c(F)cc(F)cc1Nc1snc2cccnc21 ZINC001212484274 815037789 /nfs/dbraw/zinc/03/77/89/815037789.db2.gz VECLRDHRJLCRLA-UHFFFAOYSA-N -1 3 279.271 3.419 20 0 CGADHM CC(=O)c1cccc([O-])c1NC(=O)[C@@H](C)Oc1ccccc1 ZINC001144498035 804996469 /nfs/dbraw/zinc/99/64/69/804996469.db2.gz VZLGEYOWGGQECV-GFCCVEGCSA-N -1 3 299.326 3.001 20 0 CGADHM CC(C)N(Cc1c(F)cc([O-])cc1F)CC1CC1 ZINC001144554894 805003142 /nfs/dbraw/zinc/00/31/42/805003142.db2.gz LGZGIJIHCPXWGZ-UHFFFAOYSA-N -1 3 255.308 3.291 20 0 CGADHM Cc1cccc(C)c1CNC(=O)Cc1ccc([O-])c(F)c1 ZINC001144633006 805015382 /nfs/dbraw/zinc/01/53/82/805015382.db2.gz ZYFRQHIVVLGNGR-UHFFFAOYSA-N -1 3 287.334 3.007 20 0 CGADHM Cc1cccc(C2(NC(=O)Cc3ccc([O-])c(F)c3)CC2)c1 ZINC001144635989 805015592 /nfs/dbraw/zinc/01/55/92/805015592.db2.gz DXFXAEMKQUBNAK-UHFFFAOYSA-N -1 3 299.345 3.188 20 0 CGADHM C[C@H]1CCCN(Cc2cc(F)c([O-])cc2F)CC1 ZINC001144648823 805023266 /nfs/dbraw/zinc/02/32/66/805023266.db2.gz YFTPNCKOBBBQGS-JTQLQIEISA-N -1 3 255.308 3.292 20 0 CGADHM C[C@]1(F)CCCN(Cc2cc(F)c([O-])cc2F)CC1 ZINC001144647886 805023501 /nfs/dbraw/zinc/02/35/01/805023501.db2.gz NXGHKQQQPKWLMA-AWEZNQCLSA-N -1 3 273.298 3.385 20 0 CGADHM C[C@@H]1C[C@H](C)CN(Cc2cc(F)c([O-])cc2F)C1 ZINC001144658508 805028315 /nfs/dbraw/zinc/02/83/15/805028315.db2.gz ZKZJLFQFEUAQLO-AOOOYVTPSA-N -1 3 255.308 3.148 20 0 CGADHM C[C@@H]1CN(Cc2cc(F)c([O-])cc2F)C2(CC2)C1 ZINC001144660022 805028389 /nfs/dbraw/zinc/02/83/89/805028389.db2.gz UVLWOHUCZKFZAY-VIFPVBQESA-N -1 3 253.292 3.045 20 0 CGADHM Cc1ccc2nc(C(=O)Nc3nc(C)ccc3[O-])sc2c1 ZINC001147553859 805137639 /nfs/dbraw/zinc/13/76/39/805137639.db2.gz UPPBLRTVVFOHRC-UHFFFAOYSA-N -1 3 299.355 3.266 20 0 CGADHM CCOc1c(F)cccc1[N-]c1nonc1C1CC1 ZINC001212535070 815055210 /nfs/dbraw/zinc/05/52/10/815055210.db2.gz CAIUGRJCRJMLCM-UHFFFAOYSA-N -1 3 263.272 3.228 20 0 CGADHM Cc1c(N)c(F)ccc1Nc1cc([O-])c(F)cc1F ZINC001249642229 805198203 /nfs/dbraw/zinc/19/82/03/805198203.db2.gz ZTGOVQXONPEPMT-UHFFFAOYSA-N -1 3 268.238 3.444 20 0 CGADHM Cn1cc(Nc2cc([O-])c(F)cc2F)c2ccncc21 ZINC001249694997 805215664 /nfs/dbraw/zinc/21/56/64/805215664.db2.gz BTCAAAMRZLSUJA-UHFFFAOYSA-N -1 3 275.258 3.301 20 0 CGADHM Cn1cc(Nc2cc(F)c([O-])cc2F)c2ccncc21 ZINC001249697695 805217626 /nfs/dbraw/zinc/21/76/26/805217626.db2.gz AKTFZAIIEXUMKN-UHFFFAOYSA-N -1 3 275.258 3.301 20 0 CGADHM O=C(Nc1ccc(F)c([O-])c1)c1ccc2cc[nH]c2c1 ZINC001149214812 805225255 /nfs/dbraw/zinc/22/52/55/805225255.db2.gz UXUUQIGZPBKBAC-UHFFFAOYSA-N -1 3 270.263 3.265 20 0 CGADHM O=C([O-])c1c(F)ccc(CN2C[C@H]3CCCC[C@@H]3C2)c1F ZINC001249760790 805236435 /nfs/dbraw/zinc/23/64/35/805236435.db2.gz RRKYUXDRWNTZTQ-GHMZBOCLSA-N -1 3 295.329 3.285 20 0 CGADHM [O-]c1cc(F)cnc1Nc1ccc(-c2ncco2)cc1 ZINC001249929611 805309422 /nfs/dbraw/zinc/30/94/22/805309422.db2.gz YYMFKWUNYLQOGB-UHFFFAOYSA-N -1 3 271.251 3.325 20 0 CGADHM CN1Cc2c(cccc2Nc2ccc([O-])c(Cl)c2)C1=O ZINC001249942010 805317666 /nfs/dbraw/zinc/31/76/66/805317666.db2.gz YBSIAESEJGNNJD-UHFFFAOYSA-N -1 3 288.734 3.375 20 0 CGADHM Cc1ccc(-c2noc(-c3ccc([O-])cn3)n2)cc1C ZINC001212558063 815067688 /nfs/dbraw/zinc/06/76/88/815067688.db2.gz PQDLJYDNMQRPBJ-UHFFFAOYSA-N -1 3 267.288 3.121 20 0 CGADHM O=c1cc[nH]c(Cl)c1Nc1c([O-])cccc1F ZINC001249990367 805348366 /nfs/dbraw/zinc/34/83/66/805348366.db2.gz JWCJVNTYLOMKLF-UHFFFAOYSA-N -1 3 254.648 3.029 20 0 CGADHM Cc1ccnc(F)c1Nc1cc(F)c([O-])cc1F ZINC001212559345 815069041 /nfs/dbraw/zinc/06/90/41/815069041.db2.gz KMCCXAODCWQLFB-UHFFFAOYSA-N -1 3 254.211 3.257 20 0 CGADHM COc1c(C)cc(-c2noc(-c3ccc([O-])cn3)n2)cc1C ZINC001212559156 815069259 /nfs/dbraw/zinc/06/92/59/815069259.db2.gz YJADETRMWQFLRE-UHFFFAOYSA-N -1 3 297.314 3.130 20 0 CGADHM Cc1cccc(C)c1NC(=O)Cc1ccc(F)cc1[O-] ZINC001250007351 805362629 /nfs/dbraw/zinc/36/26/29/805362629.db2.gz UZZZWCXIILZUOV-UHFFFAOYSA-N -1 3 273.307 3.329 20 0 CGADHM Cc1nc(Nc2ccc(Cl)c(F)c2F)cc(=O)[n-]1 ZINC001250110057 805421861 /nfs/dbraw/zinc/42/18/61/805421861.db2.gz VANOEJRVAFCUAU-UHFFFAOYSA-N -1 3 271.654 3.166 20 0 CGADHM O=C(NC1(CC2CC2)CC1)c1c(O)cc2ccccc2c1[O-] ZINC001154029593 805429117 /nfs/dbraw/zinc/42/91/17/805429117.db2.gz AYVQTDMBCAIESW-UHFFFAOYSA-N -1 3 297.354 3.314 20 0 CGADHM CCOc1ccc(Cl)c(Nc2cc(=O)[n-]c(C)n2)c1 ZINC001212574831 815074821 /nfs/dbraw/zinc/07/48/21/815074821.db2.gz ZILMGAWRHZDOKF-UHFFFAOYSA-N -1 3 279.727 3.286 20 0 CGADHM Cc1ccc2ncc([O-])c(C(=O)N3CCC4(CCC4)C3)c2c1 ZINC001154530522 805461682 /nfs/dbraw/zinc/46/16/82/805461682.db2.gz MBXMFFUWZDXOIS-UHFFFAOYSA-N -1 3 296.370 3.265 20 0 CGADHM Cc1ccc2ncc([O-])c(C(=O)N3C[C@@H](C)CC34CC4)c2c1 ZINC001154530488 805462113 /nfs/dbraw/zinc/46/21/13/805462113.db2.gz LCUJMDBFEMEGGH-LBPRGKRZSA-N -1 3 296.370 3.263 20 0 CGADHM [O-]c1cc(Nc2ccc3nccn3c2)ccc1Cl ZINC001212588613 815078296 /nfs/dbraw/zinc/07/82/96/815078296.db2.gz VLFLLFWLHCZFIK-UHFFFAOYSA-N -1 3 259.696 3.437 20 0 CGADHM [O-]c1cc(Nc2cn(C3CCOCC3)cn2)ccc1Cl ZINC001212591403 815079652 /nfs/dbraw/zinc/07/96/52/815079652.db2.gz KNFOEMCZXJZGOP-UHFFFAOYSA-N -1 3 293.754 3.337 20 0 CGADHM Cc1c(Nc2ccc(Cl)c([O-])c2)cnn1[C@H]1CCOC1 ZINC001212591670 815079865 /nfs/dbraw/zinc/07/98/65/815079865.db2.gz YKIXDCLMEHVTMA-NSHDSACASA-N -1 3 293.754 3.256 20 0 CGADHM CNC(=O)c1cccc(Nc2ccc(Cl)c([O-])c2)c1 ZINC001212592518 815079873 /nfs/dbraw/zinc/07/98/73/815079873.db2.gz UKRVTBADVHUWQV-UHFFFAOYSA-N -1 3 276.723 3.149 20 0 CGADHM O=C1NCCc2cc(Nc3ccc(Cl)c([O-])c3)ccc21 ZINC001212593281 815080129 /nfs/dbraw/zinc/08/01/29/815080129.db2.gz JIHUDMBBQAWCEL-UHFFFAOYSA-N -1 3 288.734 3.075 20 0 CGADHM [O-]c1cc(Nc2ccnn2Br)ccc1Cl ZINC001212591214 815080183 /nfs/dbraw/zinc/08/01/83/815080183.db2.gz AOBOISBVWXXQFT-UHFFFAOYSA-N -1 3 288.532 3.144 20 0 CGADHM O=c1[n-]c(-c2nnc(CC3CCCCC3)o2)ccc1F ZINC001257063764 807039468 /nfs/dbraw/zinc/03/94/68/807039468.db2.gz GPHWISDSNQDURL-UHFFFAOYSA-N -1 3 277.299 3.099 20 0 CGADHM S=c1ccc(NCc2ccccc2C2CC2)n[n-]1 ZINC001167011567 807129643 /nfs/dbraw/zinc/12/96/43/807129643.db2.gz BZCJRCXKRLQXKZ-UHFFFAOYSA-N -1 3 257.362 3.255 20 0 CGADHM CC1(C)C[C@@H](CNc2[n-]c(=O)c(Cl)cc2Cl)O1 ZINC001168450409 807419128 /nfs/dbraw/zinc/41/91/28/807419128.db2.gz OVUOXEOJWSZNHG-LURJTMIESA-N -1 3 277.151 3.073 20 0 CGADHM COC1CCC(Nc2ccc3c(c2)[N-]C(=S)C3)CC1 ZINC001168611388 807456464 /nfs/dbraw/zinc/45/64/64/807456464.db2.gz UGDJGLRWDRXIBC-UHFFFAOYSA-N -1 3 276.405 3.352 20 0 CGADHM C[C@H]1C[C@@H](Nc2ccc(=S)[n-]n2)c2ccccc21 ZINC001169363690 807631016 /nfs/dbraw/zinc/63/10/16/807631016.db2.gz JHBZWWOSESLAMR-JOYOIKCWSA-N -1 3 257.362 3.426 20 0 CGADHM Cc1cc(C(F)(F)F)ncc1NCc1ncccc1[O-] ZINC001169733191 807701640 /nfs/dbraw/zinc/70/16/40/807701640.db2.gz PUTGVHPOOPZNCM-UHFFFAOYSA-N -1 3 283.253 3.122 20 0 CGADHM CSc1ccc([O-])c(C(=O)N[C@@H]2CCC[C@H](F)C2)c1 ZINC001261745237 807780600 /nfs/dbraw/zinc/78/06/00/807780600.db2.gz CPQARFZJBMEFOA-VHSXEESVSA-N -1 3 283.368 3.125 20 0 CGADHM S=C1Cc2ccc(NCOc3ccccc3)cc2[N-]1 ZINC001170812277 807913361 /nfs/dbraw/zinc/91/33/61/807913361.db2.gz SVWXJIDBHLUIAN-UHFFFAOYSA-N -1 3 270.357 3.430 20 0 CGADHM CC(=O)c1ccc(F)cc1[N-]C(=O)c1ocnc1C(F)F ZINC001266569404 808289058 /nfs/dbraw/zinc/28/90/58/808289058.db2.gz WDOFWXAOKWFFHR-UHFFFAOYSA-N -1 3 298.220 3.206 20 0 CGADHM O=c1ccn(-c2ccc(Nc3ccsc3)cc2)[n-]1 ZINC001173821381 808689399 /nfs/dbraw/zinc/68/93/99/808689399.db2.gz GLABCJAKFGVHOV-UHFFFAOYSA-N -1 3 257.318 3.383 20 0 CGADHM CC(=O)Nc1cccc(Nc2cc([O-])c(F)cc2F)c1 ZINC001173831818 808696806 /nfs/dbraw/zinc/69/68/06/808696806.db2.gz GDMIVFNFZCKDEM-UHFFFAOYSA-N -1 3 278.258 3.372 20 0 CGADHM COc1cncc(Nc2cccc([O-])c2Br)c1 ZINC001174091915 808858227 /nfs/dbraw/zinc/85/82/27/808858227.db2.gz HINGESZDYFCVNE-UHFFFAOYSA-N -1 3 295.136 3.302 20 0 CGADHM CNC(=O)c1cccc(Nc2cccc(Cl)c2[O-])c1 ZINC001174138870 808885864 /nfs/dbraw/zinc/88/58/64/808885864.db2.gz GQXVIWIWINGBFQ-UHFFFAOYSA-N -1 3 276.723 3.149 20 0 CGADHM COc1cc(Nc2cccc([O-])c2Cl)ccn1 ZINC001174307173 808946951 /nfs/dbraw/zinc/94/69/51/808946951.db2.gz IAPZKWBLWBAIIS-UHFFFAOYSA-N -1 3 250.685 3.193 20 0 CGADHM [O-]c1cc(F)cnc1Nc1ccc(C(F)(F)F)nc1 ZINC001174309774 808947773 /nfs/dbraw/zinc/94/77/73/808947773.db2.gz MCGSDJGAOPWYRF-UHFFFAOYSA-N -1 3 273.189 3.084 20 0 CGADHM Cn1ccc2ccc(Nc3ncc(F)cc3[O-])cc21 ZINC001174515776 809056839 /nfs/dbraw/zinc/05/68/39/809056839.db2.gz LSSUCEVNCCXOOB-UHFFFAOYSA-N -1 3 257.268 3.162 20 0 CGADHM Cc1cnccc1Nc1ccc2[n-]c(=S)sc2c1 ZINC001174539381 809071434 /nfs/dbraw/zinc/07/14/34/809071434.db2.gz JPPOUCVKUKWTOX-UHFFFAOYSA-N -1 3 273.386 3.454 20 0 CGADHM CC(C)(O)c1cncc(Nc2cc(F)c([O-])cc2F)c1 ZINC001174594237 809095807 /nfs/dbraw/zinc/09/58/07/809095807.db2.gz XQJDBCUQZQNFDI-UHFFFAOYSA-N -1 3 280.274 3.036 20 0 CGADHM [O-]c1c(F)cc(Nc2cnn([C@H]3CCCCO3)c2)cc1F ZINC001174605343 809100231 /nfs/dbraw/zinc/10/02/31/809100231.db2.gz JWGDRVLMEUUTQC-CYBMUJFWSA-N -1 3 295.289 3.310 20 0 CGADHM CCO[C@H](C)n1cc([N-]c2nc3ccc(F)cc3o2)cn1 ZINC001174691537 809132153 /nfs/dbraw/zinc/13/21/53/809132153.db2.gz RBENKEJGHPYYSH-SECBINFHSA-N -1 3 290.298 3.462 20 0 CGADHM Cc1nsc([N-]c2cncc(C(F)(F)F)c2)n1 ZINC001174741069 809148756 /nfs/dbraw/zinc/14/87/56/809148756.db2.gz ZWJFIUXLLLTZFQ-UHFFFAOYSA-N -1 3 260.244 3.004 20 0 CGADHM CN(C)c1ccc(Nc2cc(F)c([O-])c(F)c2)cc1 ZINC001174880314 809187629 /nfs/dbraw/zinc/18/76/29/809187629.db2.gz JFVGRGNHXFPVFB-UHFFFAOYSA-N -1 3 264.275 3.480 20 0 CGADHM Cc1ccc(Nc2cc([O-])c(F)cc2F)cc1N ZINC001174935825 809206742 /nfs/dbraw/zinc/20/67/42/809206742.db2.gz YWFIDBMEWMPEFY-UHFFFAOYSA-N -1 3 250.248 3.305 20 0 CGADHM [O-]c1c(F)cc(Nc2cc(O)c(F)cc2F)cc1F ZINC001213381741 815273554 /nfs/dbraw/zinc/27/35/54/815273554.db2.gz CWTQMRNMCQWCAW-UHFFFAOYSA-N -1 3 273.185 3.398 20 0 CGADHM COCCN(c1cc(F)c([O-])c(F)c1)c1ccccc1N ZINC001213388953 815274977 /nfs/dbraw/zinc/27/49/77/815274977.db2.gz UWKKCRKWNZOXLM-UHFFFAOYSA-N -1 3 294.301 3.037 20 0 CGADHM COc1ccc(N)c(Nc2c(F)cc([O-])cc2F)c1 ZINC001175100525 809271775 /nfs/dbraw/zinc/27/17/75/809271775.db2.gz WQQNPERGWIPZRN-UHFFFAOYSA-N -1 3 266.247 3.005 20 0 CGADHM O=C1NCc2ccc(Nc3c(F)cc([O-])cc3F)cc2N1 ZINC001175103645 809272883 /nfs/dbraw/zinc/27/28/83/809272883.db2.gz USVIWACQUFOVMR-UHFFFAOYSA-N -1 3 291.257 3.049 20 0 CGADHM Cc1ncc(Nc2cccc(C(F)(F)F)c2F)c(=O)[n-]1 ZINC001175134316 809284691 /nfs/dbraw/zinc/28/46/91/809284691.db2.gz PHIPIKBIXSYVAJ-UHFFFAOYSA-N -1 3 287.216 3.392 20 0 CGADHM O=c1cc(Nc2ccc(Cl)c(F)c2)[nH]c(=S)[n-]1 ZINC001175205656 809307925 /nfs/dbraw/zinc/30/79/25/809307925.db2.gz LFSBSDZJFLNVGL-UHFFFAOYSA-N -1 3 271.704 3.007 20 0 CGADHM Cn1nc(C2CC2)cc1Nc1c(F)ccc([O-])c1F ZINC001175261790 809328246 /nfs/dbraw/zinc/32/82/46/809328246.db2.gz PWNUHKNOUTVSQH-UHFFFAOYSA-N -1 3 265.263 3.025 20 0 CGADHM CC(C)OC(=O)c1ccc(Nc2ncc(F)cc2[O-])cc1 ZINC001175258722 809328555 /nfs/dbraw/zinc/32/85/55/809328555.db2.gz QWHRORZNYMZSMV-UHFFFAOYSA-N -1 3 290.294 3.235 20 0 CGADHM Cc1nc(Cl)c(Nc2c(F)ccc([O-])c2F)nc1C ZINC001175263577 809329386 /nfs/dbraw/zinc/32/93/86/809329386.db2.gz LIFKUOJEGILQFP-UHFFFAOYSA-N -1 3 285.681 3.474 20 0 CGADHM Cc1cnc(Nc2c(F)ccc([O-])c2F)c(C)c1 ZINC001175263636 809329583 /nfs/dbraw/zinc/32/95/83/809329583.db2.gz NTRZSMTYYZEBLM-UHFFFAOYSA-N -1 3 250.248 3.426 20 0 CGADHM Cc1cc(F)nc(Nc2c(F)ccc([O-])c2F)c1 ZINC001175266376 809330458 /nfs/dbraw/zinc/33/04/58/809330458.db2.gz YXYUQACERKTHLM-UHFFFAOYSA-N -1 3 254.211 3.257 20 0 CGADHM [O-]c1ccc(F)c(Nc2cc(Cl)nn3ccnc23)c1F ZINC001175266298 809330646 /nfs/dbraw/zinc/33/06/46/809330646.db2.gz TVGQOGWLRAEIRX-UHFFFAOYSA-N -1 3 296.664 3.110 20 0 CGADHM COc1cc(Nc2c(F)ccc([O-])c2F)c(C)cn1 ZINC001175265374 809331706 /nfs/dbraw/zinc/33/17/06/809331706.db2.gz MYATVGRCETVCMP-UHFFFAOYSA-N -1 3 266.247 3.126 20 0 CGADHM C[C@@H](O)c1ccccc1Nc1c(F)ccc([O-])c1F ZINC001175269777 809334660 /nfs/dbraw/zinc/33/46/60/809334660.db2.gz KZIHNJMFXCFQMH-MRVPVSSYSA-N -1 3 265.259 3.467 20 0 CGADHM CCOc1cc(F)ccc1Nc1cc(=O)[n-]c(C2CC2)n1 ZINC001175288053 809340904 /nfs/dbraw/zinc/34/09/04/809340904.db2.gz WIHKARBBEZTJQJ-UHFFFAOYSA-N -1 3 289.310 3.341 20 0 CGADHM CC(C)Cc1ccc(Nc2ccc(C(N)=O)c([O-])c2)cc1 ZINC001175294633 809341634 /nfs/dbraw/zinc/34/16/34/809341634.db2.gz YBXRXMWXOSTMOA-UHFFFAOYSA-N -1 3 284.359 3.433 20 0 CGADHM Cc1cc(C)cc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001175428101 809401644 /nfs/dbraw/zinc/40/16/44/809401644.db2.gz DGVSPDRJTYZLDU-UHFFFAOYSA-N -1 3 265.320 3.227 20 0 CGADHM Cn1ncc2cccc(Nc3cc([O-])c(F)cc3F)c21 ZINC001175443670 809408747 /nfs/dbraw/zinc/40/87/47/809408747.db2.gz VBTRTSBVKDNFKM-UHFFFAOYSA-N -1 3 275.258 3.301 20 0 CGADHM Cc1ccc(CNC(=O)c2ccccc2[O-])c(OC(C)C)c1 ZINC001294624383 809473786 /nfs/dbraw/zinc/47/37/86/809473786.db2.gz RRQYZSTWMQVDQM-UHFFFAOYSA-N -1 3 299.370 3.418 20 0 CGADHM COc1cc(Nc2cc(=O)[n-]c(C3CC3)n2)ccc1Cl ZINC001175773377 809539419 /nfs/dbraw/zinc/53/94/19/809539419.db2.gz DWJYVLUTEBQMJU-UHFFFAOYSA-N -1 3 291.738 3.465 20 0 CGADHM CSc1cc(NC(=O)c2cccc3n[n-]nc32)ccc1C ZINC001300209243 809564153 /nfs/dbraw/zinc/56/41/53/809564153.db2.gz WKFNTWKATDMARY-UHFFFAOYSA-N -1 3 298.371 3.241 20 0 CGADHM COc1cccc([O-])c1C(=O)NCC1C[C@H](C)C[C@@H](C)C1 ZINC001300540160 809570304 /nfs/dbraw/zinc/57/03/04/809570304.db2.gz KVFFNYBGZSDDGK-VXGBXAGGSA-N -1 3 291.391 3.203 20 0 CGADHM COc1cccc([O-])c1C(=O)N[C@H](C)C1CCC(F)CC1 ZINC001301482455 809584149 /nfs/dbraw/zinc/58/41/49/809584149.db2.gz PTNHVNXBHWUNQQ-VOMCLLRMSA-N -1 3 295.354 3.047 20 0 CGADHM CCc1ccc(OCC(=O)Nc2ccc(F)c([O-])c2)cc1 ZINC001180516918 810007638 /nfs/dbraw/zinc/00/76/38/810007638.db2.gz NTOFHOPKORFJEB-UHFFFAOYSA-N -1 3 289.306 3.111 20 0 CGADHM CCc1ccc2c(c1)CCN(C(=O)c1c(C)cccc1[O-])C2 ZINC001181488566 810055084 /nfs/dbraw/zinc/05/50/84/810055084.db2.gz UWGVBEFDVUAPAU-UHFFFAOYSA-N -1 3 295.382 3.462 20 0 CGADHM Cc1ccccc1C(C)(C)C(=O)Nc1cncc([O-])c1 ZINC001182463279 810111340 /nfs/dbraw/zinc/11/13/40/810111340.db2.gz OKTBNBKAFOWWTH-UHFFFAOYSA-N -1 3 270.332 3.012 20 0 CGADHM CCCC[C@H](CCC)CNC(=O)c1c([O-])cccc1O ZINC001182941483 810131549 /nfs/dbraw/zinc/13/15/49/810131549.db2.gz BPCLVAPNCLOJRX-LBPRGKRZSA-N -1 3 279.380 3.434 20 0 CGADHM CC(C)(/C=C/Cl)NCc1ccc([O-])c(F)c1F ZINC001183899785 810168127 /nfs/dbraw/zinc/16/81/27/810168127.db2.gz WPVLDUUYPWCPJE-AATRIKPKSA-N -1 3 261.699 3.291 20 0 CGADHM C[C@@H](NC(=O)Nc1ncc([O-])cc1Cl)c1ccccc1 ZINC001184994365 810228380 /nfs/dbraw/zinc/22/83/80/810228380.db2.gz BRBZFIDCQNKWAW-SECBINFHSA-N -1 3 291.738 3.323 20 0 CGADHM Cc1ccccc1CC1(C(=O)Nc2cncc([O-])c2)CC1 ZINC001185181920 810242609 /nfs/dbraw/zinc/24/26/09/810242609.db2.gz BPPKQDMDVPMCFN-UHFFFAOYSA-N -1 3 282.343 3.057 20 0 CGADHM Cc1ccc(NC(=O)NC2CCCC2)c(Cl)c1[O-] ZINC001185902046 810300800 /nfs/dbraw/zinc/30/08/00/810300800.db2.gz ZGHVNZVLCUVXFJ-UHFFFAOYSA-N -1 3 268.744 3.418 20 0 CGADHM CC[C@H](C)C1CCC([N-]S(=O)(=O)c2ccco2)CC1 ZINC001186874616 810368642 /nfs/dbraw/zinc/36/86/42/810368642.db2.gz FEIDOXYJDYTHLT-HIFPTAJRSA-N -1 3 285.409 3.163 20 0 CGADHM Cc1cc(F)cc(Nc2cnc[n-]c2=O)c1Cl ZINC001214073634 815364730 /nfs/dbraw/zinc/36/47/30/815364730.db2.gz RTQZQJUAYQYFFF-UHFFFAOYSA-N -1 3 253.664 3.027 20 0 CGADHM O=C(Nc1ccc(F)c([O-])c1)c1cccc(-c2cc[nH]n2)c1 ZINC001189022852 810535233 /nfs/dbraw/zinc/53/52/33/810535233.db2.gz PXPRMFAUAWBFAE-UHFFFAOYSA-N -1 3 297.289 3.174 20 0 CGADHM O=C([N-]c1cc(-c2ccccc2)no1)Nc1nccs1 ZINC001189343269 810561475 /nfs/dbraw/zinc/56/14/75/810561475.db2.gz YTXOBJGFAZNZEF-UHFFFAOYSA-N -1 3 286.316 3.442 20 0 CGADHM CCCCCCNC(=O)Nc1cc(F)ccc1[O-] ZINC001191972825 810761155 /nfs/dbraw/zinc/76/11/55/810761155.db2.gz QIGDNULJGGQGPW-UHFFFAOYSA-N -1 3 254.305 3.233 20 0 CGADHM CC1(C)CC(C[N-]S(=O)(=O)c2ccco2)CC(C)(C)C1 ZINC001192303149 810786702 /nfs/dbraw/zinc/78/67/02/810786702.db2.gz VMKPMHDAKXHUPP-UHFFFAOYSA-N -1 3 299.436 3.410 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2cccc(OC3CCC3)c2)n1 ZINC001193165862 810861375 /nfs/dbraw/zinc/86/13/75/810861375.db2.gz HHZCKYADXUPLRS-UHFFFAOYSA-N -1 3 298.342 3.279 20 0 CGADHM Cc1cc(F)cc(C(=O)Nc2cncc([O-])c2)c1Cl ZINC001193287329 810867184 /nfs/dbraw/zinc/86/71/84/810867184.db2.gz ADXIPJPJSZOBND-UHFFFAOYSA-N -1 3 280.686 3.140 20 0 CGADHM [O-]c1c(F)cc(Nc2ncc(F)cc2O)cc1Cl ZINC001214485305 815416676 /nfs/dbraw/zinc/41/66/76/815416676.db2.gz ZHAMUKNTDJSQFD-UHFFFAOYSA-N -1 3 272.638 3.168 20 0 CGADHM COc1ncc(F)cc1Nc1c(Cl)ccc([O-])c1F ZINC001214556307 815423663 /nfs/dbraw/zinc/42/36/63/815423663.db2.gz PMIQRFNZEKAOFW-UHFFFAOYSA-N -1 3 286.665 3.471 20 0 CGADHM Cc1coc(C(=O)[N-]c2cc(-c3ccc(F)cc3)no2)n1 ZINC001195751238 811286984 /nfs/dbraw/zinc/28/69/84/811286984.db2.gz DBCFRRJKRUPMRG-UHFFFAOYSA-N -1 3 287.250 3.029 20 0 CGADHM [O-]c1cccc(F)c1NC(=S)Nc1ccc(F)cc1 ZINC001196942036 811385912 /nfs/dbraw/zinc/38/59/12/811385912.db2.gz JKSYJDHTDXEZSL-UHFFFAOYSA-N -1 3 280.299 3.479 20 0 CGADHM Cc1cnc(C(=O)Nc2ccc(F)c([O-])c2)cc1Cl ZINC001197289963 811411434 /nfs/dbraw/zinc/41/14/34/811411434.db2.gz ZZONQMSNHRFBPW-UHFFFAOYSA-N -1 3 280.686 3.140 20 0 CGADHM CC(=O)c1cc(-c2noc(-c3cccc(C)c3[O-])n2)ccn1 ZINC001215147593 815489032 /nfs/dbraw/zinc/48/90/32/815489032.db2.gz FIIOTGQFTZTEGL-UHFFFAOYSA-N -1 3 295.298 3.015 20 0 CGADHM COc1ccc(NC(=O)Nc2ncc([O-])cc2Cl)cc1 ZINC001202387830 812083340 /nfs/dbraw/zinc/08/33/40/812083340.db2.gz YVOQAXHWSXRSMX-UHFFFAOYSA-N -1 3 293.710 3.093 20 0 CGADHM O=C(NC(=O)c1ccccc1)Nc1cc([O-])cc(Cl)c1 ZINC001202456134 812097815 /nfs/dbraw/zinc/09/78/15/812097815.db2.gz HOYSUCSYTWCMRO-UHFFFAOYSA-N -1 3 290.706 3.008 20 0 CGADHM Cc1ccc(NC(=O)Nc2cc(=O)[n-]c(C3CC3)n2)cc1C ZINC001202816565 812180501 /nfs/dbraw/zinc/18/05/01/812180501.db2.gz RVKTUPAAVNOKHG-UHFFFAOYSA-N -1 3 298.346 3.320 20 0 CGADHM CC(=O)c1cc(-c2nc(-c3ccccc3)no2)ccc1[O-] ZINC001215364777 815509645 /nfs/dbraw/zinc/50/96/45/815509645.db2.gz BYWRBRHGGXDBDD-UHFFFAOYSA-N -1 3 280.283 3.312 20 0 CGADHM CCOc1cc(C)c(Nc2ncc(Cl)cc2[O-])cn1 ZINC001203042006 812225705 /nfs/dbraw/zinc/22/57/05/812225705.db2.gz PDFOVNDANBEREP-UHFFFAOYSA-N -1 3 279.727 3.286 20 0 CGADHM O=C1COc2ccc(Nc3cccc(Cl)c3[O-])cc2N1 ZINC001203185271 812263097 /nfs/dbraw/zinc/26/30/97/812263097.db2.gz NGTWLKTZZDFDLA-UHFFFAOYSA-N -1 3 290.706 3.120 20 0 CGADHM CNc1ccc([N-]c2nc(C(C)(C)C)ns2)c(F)n1 ZINC001203350135 812316634 /nfs/dbraw/zinc/31/66/34/812316634.db2.gz JQQRWENNRUNADA-UHFFFAOYSA-N -1 3 281.360 3.155 20 0 CGADHM Cc1ncc(Nc2ccc(Cl)c(C)c2F)c(=O)[n-]1 ZINC001215526111 815530118 /nfs/dbraw/zinc/53/01/18/815530118.db2.gz GYCLSXPKMNIRFF-UHFFFAOYSA-N -1 3 267.691 3.335 20 0 CGADHM Cc1cc2ncc(C)c(Nc3cc(F)c([O-])cc3F)n2n1 ZINC001215570598 815536371 /nfs/dbraw/zinc/53/63/71/815536371.db2.gz VNHAZIMUCQXNDJ-UHFFFAOYSA-N -1 3 290.273 3.074 20 0 CGADHM [O-]c1cc(F)c(Nc2ccnn2CC(F)(F)F)cc1F ZINC001215572659 815537685 /nfs/dbraw/zinc/53/76/85/815537685.db2.gz OXYHDPABZVFNRZ-UHFFFAOYSA-N -1 3 293.195 3.173 20 0 CGADHM COCc1ccc(-c2ccc([O-])cc2F)c(F)c1 ZINC001206073558 813191935 /nfs/dbraw/zinc/19/19/35/813191935.db2.gz XATLHBUXVYPZQN-UHFFFAOYSA-N -1 3 250.244 3.484 20 0 CGADHM O=c1[nH]cccc1Nc1cc(Br)cc(F)c1[O-] ZINC001206473766 813329477 /nfs/dbraw/zinc/32/94/77/813329477.db2.gz AQAFDEHHMSNCJR-UHFFFAOYSA-N -1 3 299.099 3.138 20 0 CGADHM O=C(CCCO)c1ccc(Nc2cc([O-])cc(F)c2)cc1 ZINC001208200472 813742872 /nfs/dbraw/zinc/74/28/72/813742872.db2.gz VWIHADHTSLYDKY-UHFFFAOYSA-N -1 3 289.306 3.230 20 0 CGADHM CCc1cc(OC)ccc1-c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001242700726 823104827 /nfs/dbraw/zinc/10/48/27/823104827.db2.gz SEYHXSLAPDOKGJ-UHFFFAOYSA-N -1 3 298.321 3.244 20 0 CGADHM CCc1cc(OC)ccc1-c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001242700726 823104828 /nfs/dbraw/zinc/10/48/28/823104828.db2.gz SEYHXSLAPDOKGJ-UHFFFAOYSA-N -1 3 298.321 3.244 20 0 CGADHM CC(C)Oc1ccccc1Nc1ccc(C(N)=O)c([O-])c1 ZINC001210023740 814250287 /nfs/dbraw/zinc/25/02/87/814250287.db2.gz GQCTYLSJDWAPFD-UHFFFAOYSA-N -1 3 286.331 3.022 20 0 CGADHM COc1cc(N)ccc1Nc1cccc(Cl)c1[O-] ZINC001210222144 814348927 /nfs/dbraw/zinc/34/89/27/814348927.db2.gz PWKVDVOAHQOSPK-UHFFFAOYSA-N -1 3 264.712 3.380 20 0 CGADHM CC(C)n1ccc(Nc2ccc([O-])c(F)c2F)n1 ZINC001210342736 814412628 /nfs/dbraw/zinc/41/26/28/814412628.db2.gz DRFHJKLRMMCIGQ-UHFFFAOYSA-N -1 3 253.252 3.191 20 0 CGADHM CSc1cccc(F)c1Nc1cc(=O)[n-]c(=S)[nH]1 ZINC001215822641 815605559 /nfs/dbraw/zinc/60/55/59/815605559.db2.gz ATDJZEBIHILOGX-UHFFFAOYSA-N -1 3 283.353 3.076 20 0 CGADHM Cc1ccc(Nc2c[nH]c(=O)c(F)c2)c(Cl)c1[O-] ZINC001210602402 814550595 /nfs/dbraw/zinc/55/05/95/814550595.db2.gz SKQKPKWGDNGWLB-UHFFFAOYSA-N -1 3 268.675 3.337 20 0 CGADHM [O-]c1cc(F)c(Nc2cccnc2OC(F)F)cc1F ZINC001210629308 814563344 /nfs/dbraw/zinc/56/33/44/814563344.db2.gz SESJLUJCQHXAOB-UHFFFAOYSA-N -1 3 288.200 3.410 20 0 CGADHM CCOC(=O)c1scnc1Nc1cccc([O-])c1Cl ZINC001210844359 814649424 /nfs/dbraw/zinc/64/94/24/814649424.db2.gz DWYFRUVQOUWSKA-UHFFFAOYSA-N -1 3 298.751 3.422 20 0 CGADHM [O-]c1cccc(Nc2noc3cccnc32)c1Cl ZINC001210844474 814649482 /nfs/dbraw/zinc/64/94/82/814649482.db2.gz JJPQGNNFKNNLAN-UHFFFAOYSA-N -1 3 261.668 3.325 20 0 CGADHM [O-]c1cccc(Nc2ccc(F)cc2CO)c1Cl ZINC001210860586 814654887 /nfs/dbraw/zinc/65/48/87/814654887.db2.gz ZXOYEODJRRXYPJ-UHFFFAOYSA-N -1 3 267.687 3.421 20 0 CGADHM NC(=O)c1cccc(Nc2cccc([O-])c2Cl)c1F ZINC001210860306 814655218 /nfs/dbraw/zinc/65/52/18/814655218.db2.gz VAIJHBFDBOXZGE-UHFFFAOYSA-N -1 3 280.686 3.027 20 0 CGADHM Fc1ccc(-c2ccccc2OC2CC2)cc1-c1nnn[n-]1 ZINC001242795463 823134859 /nfs/dbraw/zinc/13/48/59/823134859.db2.gz YKOLQDFRBIIUBI-UHFFFAOYSA-N -1 3 296.305 3.214 20 0 CGADHM Fc1ccc(-c2ccccc2OC2CC2)cc1-c1nn[n-]n1 ZINC001242795463 823134861 /nfs/dbraw/zinc/13/48/61/823134861.db2.gz YKOLQDFRBIIUBI-UHFFFAOYSA-N -1 3 296.305 3.214 20 0 CGADHM CSc1cncc(Nc2ncc(Cl)cc2[O-])c1 ZINC001211067009 814728321 /nfs/dbraw/zinc/72/83/21/814728321.db2.gz FGRSDNWKLYGBIH-UHFFFAOYSA-N -1 3 267.741 3.301 20 0 CGADHM COc1cc(C(C)=O)ccc1Nc1ccc(F)c([O-])c1 ZINC001211217131 814852882 /nfs/dbraw/zinc/85/28/82/814852882.db2.gz HBTWYPVBANETHF-UHFFFAOYSA-N -1 3 275.279 3.486 20 0 CGADHM COc1cc([N-]c2nnc(C)o2)cc(C(F)(F)F)c1 ZINC001211332903 814880355 /nfs/dbraw/zinc/88/03/55/814880355.db2.gz AMOUAPOOOYVPJW-UHFFFAOYSA-N -1 3 273.214 3.149 20 0 CGADHM O=c1cc(Nc2cc(C3CC3)cnc2F)nc(C2CC2)[n-]1 ZINC001215955516 815640797 /nfs/dbraw/zinc/64/07/97/815640797.db2.gz SXWCKHLNKILKMB-UHFFFAOYSA-N -1 3 286.310 3.215 20 0 CGADHM COc1c(C)cc(C)cc1Nc1ncc(F)cc1[O-] ZINC001215996324 815655337 /nfs/dbraw/zinc/65/53/37/815655337.db2.gz RVWFPBSVXOQEDQ-UHFFFAOYSA-N -1 3 262.284 3.295 20 0 CGADHM CCc1cccc(C)c1-c1cccc(-c2nnn[n-]2)c1 ZINC001242817294 823143521 /nfs/dbraw/zinc/14/35/21/823143521.db2.gz LFGODWHSVRETBO-UHFFFAOYSA-N -1 3 264.332 3.405 20 0 CGADHM CCc1cccc(C)c1-c1cccc(-c2nn[n-]n2)c1 ZINC001242817294 823143522 /nfs/dbraw/zinc/14/35/22/823143522.db2.gz LFGODWHSVRETBO-UHFFFAOYSA-N -1 3 264.332 3.405 20 0 CGADHM Cc1cc(-n2c(=N)ccc3c(N)cccc32)cc(Cl)c1[O-] ZINC001216089106 815689243 /nfs/dbraw/zinc/68/92/43/815689243.db2.gz NATVTQWFSRCBAJ-UHFFFAOYSA-N -1 3 299.761 3.360 20 0 CGADHM COc1c(O)cccc1Nc1cc([O-])c(F)cc1F ZINC001216350679 815796833 /nfs/dbraw/zinc/79/68/33/815796833.db2.gz SFQRAVCZEMWXJT-UHFFFAOYSA-N -1 3 267.231 3.128 20 0 CGADHM [O-]c1c(Cl)cc(-c2ccc3c(n2)CNCC3)cc1Cl ZINC001242851358 823152578 /nfs/dbraw/zinc/15/25/78/823152578.db2.gz GERKRUZABORRBC-UHFFFAOYSA-N -1 3 295.169 3.407 20 0 CGADHM CC(C)(C)c1nc([N-]c2cncn2Cc2ccccc2)no1 ZINC001216550194 815855140 /nfs/dbraw/zinc/85/51/40/815855140.db2.gz PMIURFJESRMKHA-UHFFFAOYSA-N -1 3 297.362 3.356 20 0 CGADHM COCCN(C)Cc1ccnc(-c2cccc([S-])c2)c1 ZINC001242864492 823157900 /nfs/dbraw/zinc/15/79/00/823157900.db2.gz QBURVMAGVBUTSY-UHFFFAOYSA-N -1 3 288.416 3.116 20 0 CGADHM Cc1noc([N-]c2ccn(C(=O)OC(C)(C)C)n2)c1C ZINC001216668614 815889871 /nfs/dbraw/zinc/88/98/71/815889871.db2.gz GUWLVXJSVJSHJO-UHFFFAOYSA-N -1 3 278.312 3.015 20 0 CGADHM Cc1c(Nc2ccc3c(c2)CN(C)CC3)cccc1C(=O)[O-] ZINC001216663459 815890463 /nfs/dbraw/zinc/89/04/63/815890463.db2.gz QXDIUAGTVJTUEB-UHFFFAOYSA-N -1 3 296.370 3.425 20 0 CGADHM Cc1cccc(-c2noc(-c3c([O-])cc(O)cc3O)n2)c1C ZINC001216728612 815894982 /nfs/dbraw/zinc/89/49/82/815894982.db2.gz CHHDDZRMKFSHGF-UHFFFAOYSA-N -1 3 298.298 3.137 20 0 CGADHM CCOc1cccc(-c2nc(-c3cnccc3C)no2)c1[O-] ZINC001216956012 815903122 /nfs/dbraw/zinc/90/31/22/815903122.db2.gz HTRBSETZIRSDBC-UHFFFAOYSA-N -1 3 297.314 3.211 20 0 CGADHM CCOc1cccc(-c2nc(-c3cncc(C)c3)no2)c1[O-] ZINC001216956066 815903285 /nfs/dbraw/zinc/90/32/85/815903285.db2.gz JDBKNYAJGCWCMQ-UHFFFAOYSA-N -1 3 297.314 3.211 20 0 CGADHM CCOc1ccc(F)c(-c2cccc(-c3nnn[n-]3)c2)c1 ZINC001242935232 823179085 /nfs/dbraw/zinc/17/90/85/823179085.db2.gz KOSDVVTVYKLWEV-UHFFFAOYSA-N -1 3 284.294 3.072 20 0 CGADHM CCOc1ccc(F)c(-c2cccc(-c3nn[n-]n3)c2)c1 ZINC001242935232 823179087 /nfs/dbraw/zinc/17/90/87/823179087.db2.gz KOSDVVTVYKLWEV-UHFFFAOYSA-N -1 3 284.294 3.072 20 0 CGADHM [O-]c1ccccc1Oc1ccccc1OC[C@H]1C[C@@H](O)C1 ZINC001218435333 816212471 /nfs/dbraw/zinc/21/24/71/816212471.db2.gz VFRURZWMWRDRCF-BETUJISGSA-N -1 3 286.327 3.334 20 0 CGADHM CSc1ccccc1-c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001242946793 823183641 /nfs/dbraw/zinc/18/36/41/823183641.db2.gz WTMTZWTXVZPJIM-UHFFFAOYSA-N -1 3 286.335 3.395 20 0 CGADHM CSc1ccccc1-c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001242946793 823183642 /nfs/dbraw/zinc/18/36/42/823183642.db2.gz WTMTZWTXVZPJIM-UHFFFAOYSA-N -1 3 286.335 3.395 20 0 CGADHM Clc1ccc(-c2cncc(-c3nnn[n-]3)c2)cc1Cl ZINC001222356687 816418762 /nfs/dbraw/zinc/41/87/62/816418762.db2.gz BHBODOHAHUTKMQ-UHFFFAOYSA-N -1 3 292.129 3.236 20 0 CGADHM Clc1ccc(-c2cncc(-c3nn[n-]n3)c2)cc1Cl ZINC001222356687 816418766 /nfs/dbraw/zinc/41/87/66/816418766.db2.gz BHBODOHAHUTKMQ-UHFFFAOYSA-N -1 3 292.129 3.236 20 0 CGADHM CN1CCOc2ccc(-c3ccc(F)c([O-])c3)cc21 ZINC001243051169 823227978 /nfs/dbraw/zinc/22/79/78/823227978.db2.gz OLGAJEFOOIVKHS-UHFFFAOYSA-N -1 3 259.280 3.027 20 0 CGADHM COc1c(F)c(F)ccc1-c1ccc(F)c([O-])c1 ZINC001243046502 823223791 /nfs/dbraw/zinc/22/37/91/823223791.db2.gz JYMHMADRDVBCDP-UHFFFAOYSA-N -1 3 254.207 3.485 20 0 CGADHM O=c1cc(-c2ccc(F)c([O-])c2)ccn1-c1ccccc1 ZINC001243046387 823224098 /nfs/dbraw/zinc/22/40/98/823224098.db2.gz FWHCTUKUHOJHFX-UHFFFAOYSA-N -1 3 281.286 3.349 20 0 CGADHM CC(=O)O[C@H]1Cc2ccc(-c3ccc(F)c([O-])c3)cc2C1 ZINC001243047372 823224677 /nfs/dbraw/zinc/22/46/77/823224677.db2.gz CERAIRMRYABQDD-HNNXBMFYSA-N -1 3 286.302 3.229 20 0 CGADHM COC(=O)c1c[nH]c2ccc(-c3ccc(F)c([O-])c3)cc21 ZINC001243048098 823225040 /nfs/dbraw/zinc/22/50/40/823225040.db2.gz GAKFCMXLYSHLNL-UHFFFAOYSA-N -1 3 285.274 3.466 20 0 CGADHM COC(=O)/C=C/c1cc(C)cnc1-c1ccc(F)c([O-])c1 ZINC001243049092 823225800 /nfs/dbraw/zinc/22/58/00/823225800.db2.gz OCOAQPJZRACWLC-GQCTYLIASA-N -1 3 287.290 3.088 20 0 CGADHM Cn1c(=O)ccc2ccc(-c3ccc(F)c([O-])c3)cc21 ZINC001243051511 823228598 /nfs/dbraw/zinc/22/85/98/823228598.db2.gz QUUYHXNYQMDWOX-UHFFFAOYSA-N -1 3 269.275 3.050 20 0 CGADHM CN1Cc2cccc(-c3ccc(F)c([O-])c3)c2NC1=O ZINC001243051021 823227643 /nfs/dbraw/zinc/22/76/43/823227643.db2.gz MJLLUSYGUJKJMR-UHFFFAOYSA-N -1 3 272.279 3.176 20 0 CGADHM COC(=O)c1cc(-c2ccc(F)c([O-])c2)cc2cc[nH]c21 ZINC001243050428 823227656 /nfs/dbraw/zinc/22/76/56/823227656.db2.gz VWMDUEVPHSRVQK-UHFFFAOYSA-N -1 3 285.274 3.466 20 0 CGADHM [O-]c1cc(-c2ccc3nnc(C(F)(F)F)n3c2)ccc1F ZINC001243051551 823228410 /nfs/dbraw/zinc/22/84/10/823228410.db2.gz NPGSQUGUMIHDBP-UHFFFAOYSA-N -1 3 297.211 3.260 20 0 CGADHM CCCC(=O)[C@@H](CCC)Oc1ccc2c([O-])coc2c1 ZINC001225343439 817019197 /nfs/dbraw/zinc/01/91/97/817019197.db2.gz WMFGQWLYFWLCLU-OAHLLOKOSA-N -1 3 276.332 3.178 20 0 CGADHM C[C@@H](Cc1ccccc1)Oc1[n-]c(=O)ncc1C(F)(F)F ZINC001225579788 817099614 /nfs/dbraw/zinc/09/96/14/817099614.db2.gz PZASBTANPQLVQW-VIFPVBQESA-N -1 3 298.264 3.211 20 0 CGADHM COc1ccc([C@@H](C)Oc2[n-]c(=S)ncc2C)c(F)c1 ZINC001225740421 817163139 /nfs/dbraw/zinc/16/31/39/817163139.db2.gz GMTAJRVCGMROOQ-SECBINFHSA-N -1 3 294.351 3.361 20 0 CGADHM COc1ccccc1[C@@H](C)Oc1[n-]c(=S)ncc1C ZINC001225743440 817163620 /nfs/dbraw/zinc/16/36/20/817163620.db2.gz XGMBAOOFCWYAFX-SNVBAGLBSA-N -1 3 276.361 3.222 20 0 CGADHM Cc1cnc(=S)[n-]c1O[C@H]1CCc2ccccc2C1 ZINC001225742569 817164371 /nfs/dbraw/zinc/16/43/71/817164371.db2.gz MHLQTVXEOCNIBJ-ZDUSSCGKSA-N -1 3 272.373 3.010 20 0 CGADHM FC(F)(F)c1cc(O[C@@H]2C[C@H]3C=C[C@@H]2C3)nc(=S)[n-]1 ZINC001225852460 817196652 /nfs/dbraw/zinc/19/66/52/817196652.db2.gz JZWUNCNOGKSHIA-XLPZGREQSA-N -1 3 288.294 3.128 20 0 CGADHM COCc1cc(O[C@@H](C)c2cccc(F)c2)[n-]c(=S)n1 ZINC001225935284 817222656 /nfs/dbraw/zinc/22/26/56/817222656.db2.gz RCFLCVRIMXNARD-VIFPVBQESA-N -1 3 294.351 3.191 20 0 CGADHM CCc1nc(O[C@H](CC)c2ccccc2)cc(=O)[n-]1 ZINC001226473489 817369193 /nfs/dbraw/zinc/36/91/93/817369193.db2.gz YOIBFHRTWXMMRC-GFCCVEGCSA-N -1 3 258.321 3.275 20 0 CGADHM Cc1nc(O[C@@H](c2ccccc2)C2CC2)cc(=O)[n-]1 ZINC001226509820 817378505 /nfs/dbraw/zinc/37/85/05/817378505.db2.gz VIFJGSJPUSPORU-HNNXBMFYSA-N -1 3 256.305 3.021 20 0 CGADHM Cc1ccc([C@@H](Oc2cc(=O)[n-]c(C)n2)C(F)(F)F)cc1 ZINC001226510813 817380991 /nfs/dbraw/zinc/38/09/91/817380991.db2.gz QUFJUCYNWBKCEB-CYBMUJFWSA-N -1 3 298.264 3.481 20 0 CGADHM CCC[C@@H](Oc1cc(=O)[n-]c(C)n1)c1ccccc1 ZINC001226511620 817381319 /nfs/dbraw/zinc/38/13/19/817381319.db2.gz GVYORTIQKQLBGE-CYBMUJFWSA-N -1 3 258.321 3.411 20 0 CGADHM Cc1nc(O[C@@H]2Cc3cccc4cccc2c34)cc(=O)[n-]1 ZINC001226511424 817381515 /nfs/dbraw/zinc/38/15/15/817381515.db2.gz ZYAMVEXOXLHQIQ-CQSZACIVSA-N -1 3 278.311 3.320 20 0 CGADHM Cc1cc(=O)oc2cc([O-])c(O[C@@H](C)C3CCC3)cc12 ZINC001226536340 817391011 /nfs/dbraw/zinc/39/10/11/817391011.db2.gz VXTKBNMNWJBPDS-JTQLQIEISA-N -1 3 274.316 3.374 20 0 CGADHM C[C@H](Oc1c([O-])ccc2ccc(=O)oc21)c1ccccn1 ZINC001226597202 817409079 /nfs/dbraw/zinc/40/90/79/817409079.db2.gz QYTYSQMNOZLZTI-JTQLQIEISA-N -1 3 283.283 3.034 20 0 CGADHM Cc1ccc(C)c2c1CCC[C@@H]2Oc1cc(=O)[n-]cn1 ZINC001226944948 817512369 /nfs/dbraw/zinc/51/23/69/817512369.db2.gz LRZGPYVJQLTHCL-ZDUSSCGKSA-N -1 3 270.332 3.255 20 0 CGADHM CCc1cnc(=S)[n-]c1OC[C@H](OC)c1ccccc1 ZINC001227061491 817546601 /nfs/dbraw/zinc/54/66/01/817546601.db2.gz JLOYWYLTYAZABC-ZDUSSCGKSA-N -1 3 290.388 3.094 20 0 CGADHM COc1ccc2cc([C@@H](C)Oc3ccc(=O)[n-]n3)ccc2c1 ZINC001227093268 817554971 /nfs/dbraw/zinc/55/49/71/817554971.db2.gz JVGXLNIJAQZQRO-LLVKDONJSA-N -1 3 296.326 3.484 20 0 CGADHM C[C@H](Oc1ccc(=O)[n-]n1)c1ccc(Br)cc1 ZINC001227092945 817555064 /nfs/dbraw/zinc/55/50/64/817555064.db2.gz GCFVUVHHAIZNHP-QMMMGPOBSA-N -1 3 295.136 3.085 20 0 CGADHM Cc1cc(OC(C)C)cc(C)c1COc1ccc(=O)[n-]n1 ZINC001227093786 817555995 /nfs/dbraw/zinc/55/59/95/817555995.db2.gz SKMBBOLMCVCGMP-UHFFFAOYSA-N -1 3 288.347 3.165 20 0 CGADHM O=c1ccc(OC(c2ccccc2)c2ccccc2)n[n-]1 ZINC001227096140 817556246 /nfs/dbraw/zinc/55/62/46/817556246.db2.gz YTRIULRCXYGXMM-UHFFFAOYSA-N -1 3 278.311 3.351 20 0 CGADHM CCCc1cc(O[C@H](C)c2ccncc2F)[n-]c(=S)n1 ZINC001227423429 817645659 /nfs/dbraw/zinc/64/56/59/817645659.db2.gz ZFBNAIOWYVOFCB-SECBINFHSA-N -1 3 293.367 3.392 20 0 CGADHM O=c1cc(O[C@H]2C=CCCC2)[n-]c(C(F)(F)F)c1 ZINC001227585216 817676432 /nfs/dbraw/zinc/67/64/32/817676432.db2.gz AJZGHPIWRZMKNH-VIFPVBQESA-N -1 3 259.227 3.294 20 0 CGADHM C[C@@H](Oc1cc(=O)cc(C(F)(F)F)[n-]1)c1ccccn1 ZINC001227586429 817676675 /nfs/dbraw/zinc/67/66/75/817676675.db2.gz LHPRBODXFAFLJI-MRVPVSSYSA-N -1 3 284.237 3.341 20 0 CGADHM O=c1cc(O[C@@H]2CCc3cccnc32)[n-]c(C(F)(F)F)c1 ZINC001227587640 817677848 /nfs/dbraw/zinc/67/78/48/817677848.db2.gz WVDLHDLFBBPHGO-SNVBAGLBSA-N -1 3 296.248 3.267 20 0 CGADHM Cc1ccc([C@@H](C)Oc2[nH]c(=S)nc3nc[n-]c32)cc1 ZINC001227615794 817683466 /nfs/dbraw/zinc/68/34/66/817683466.db2.gz GLEAXFXSBHNSJZ-SECBINFHSA-N -1 3 286.360 3.090 20 0 CGADHM COC(=O)c1ccc([O-])c(O[C@@H](C)c2ccc(C)cc2)n1 ZINC001227820374 817727299 /nfs/dbraw/zinc/72/72/99/817727299.db2.gz SQEFTWYCURZVKJ-NSHDSACASA-N -1 3 287.315 3.022 20 0 CGADHM Cc1ccc2c(c1)CC[C@@H]2Oc1[n-]c(=O)nc2cccnc21 ZINC001228000443 817779748 /nfs/dbraw/zinc/77/97/48/817779748.db2.gz LCIFINJZLKEHIC-AWEZNQCLSA-N -1 3 293.326 3.105 20 0 CGADHM CC1(C)CCC[C@H](Oc2[n-]c(=O)nc3cccnc32)C1 ZINC001228003700 817780970 /nfs/dbraw/zinc/78/09/70/817780970.db2.gz DUWVXTOMUUEFLI-JTQLQIEISA-N -1 3 273.336 3.078 20 0 CGADHM C[C@@H](Oc1n[n-]c(-c2ccncc2)n1)c1ccccc1F ZINC001228696936 817976782 /nfs/dbraw/zinc/97/67/82/817976782.db2.gz GEEJBUCRAGIMSF-SNVBAGLBSA-N -1 3 284.294 3.146 20 0 CGADHM C[C@@H]1CC[C@H](Oc2nnc(-c3cccnc3)[n-]2)C[C@H]1C ZINC001228698121 817976890 /nfs/dbraw/zinc/97/68/90/817976890.db2.gz NCJLYCQXMYWZBN-WZRBSPASSA-N -1 3 272.352 3.070 20 0 CGADHM C[C@@H]1CC[C@H](Oc2nc(-c3cccnc3)n[n-]2)C[C@H]1C ZINC001228698121 817976894 /nfs/dbraw/zinc/97/68/94/817976894.db2.gz NCJLYCQXMYWZBN-WZRBSPASSA-N -1 3 272.352 3.070 20 0 CGADHM C[C@@H]1CC[C@H](Oc2n[n-]c(-c3cccnc3)n2)C[C@H]1C ZINC001228698121 817976902 /nfs/dbraw/zinc/97/69/02/817976902.db2.gz NCJLYCQXMYWZBN-WZRBSPASSA-N -1 3 272.352 3.070 20 0 CGADHM CC[C@H]1CCCC[C@@H]1Oc1n[n-]c(-c2ccncc2)n1 ZINC001228697637 817977512 /nfs/dbraw/zinc/97/75/12/817977512.db2.gz MSPRCISNEKLOJG-AAEUAGOBSA-N -1 3 272.352 3.214 20 0 CGADHM CC[C@@H](C)CC[C@H](C)Oc1nnc(-c2cccnc2)[n-]1 ZINC001228698831 817979441 /nfs/dbraw/zinc/97/94/41/817979441.db2.gz ULKHVHDTFWEJIB-NEPJUHHUSA-N -1 3 274.368 3.460 20 0 CGADHM CC[C@@H](C)CC[C@H](C)Oc1nc(-c2cccnc2)n[n-]1 ZINC001228698831 817979447 /nfs/dbraw/zinc/97/94/47/817979447.db2.gz ULKHVHDTFWEJIB-NEPJUHHUSA-N -1 3 274.368 3.460 20 0 CGADHM CC[C@@H](C)CC[C@H](C)Oc1n[n-]c(-c2cccnc2)n1 ZINC001228698831 817979454 /nfs/dbraw/zinc/97/94/54/817979454.db2.gz ULKHVHDTFWEJIB-NEPJUHHUSA-N -1 3 274.368 3.460 20 0 CGADHM CCC[C@H](C)[C@H](CC)Oc1n[n-]c(-c2ccncc2)n1 ZINC001228699901 817980012 /nfs/dbraw/zinc/98/00/12/817980012.db2.gz JYAQIXFPJPXYAW-AAEUAGOBSA-N -1 3 274.368 3.460 20 0 CGADHM COc1ccc([C@@H](C)Oc2cc3c(cc2[O-])CCC3=O)cn1 ZINC001228854205 818023490 /nfs/dbraw/zinc/02/34/90/818023490.db2.gz OXGHYXHDEWRPMX-SNVBAGLBSA-N -1 3 299.326 3.065 20 0 CGADHM O=C1CCc2cc([O-])c(O[C@@H]3C[C@@H]4CC[C@H]3C4)cc21 ZINC001228856211 818025418 /nfs/dbraw/zinc/02/54/18/818025418.db2.gz ZLOASFLZMBPHDR-BPYAMOTFSA-N -1 3 258.317 3.089 20 0 CGADHM CC(C)C[C@@H](Oc1cccc(-c2nnn[n-]2)c1)C(C)C ZINC001231117496 818034171 /nfs/dbraw/zinc/03/41/71/818034171.db2.gz CAZXCZKORHVIOV-CQSZACIVSA-N -1 3 274.368 3.316 20 0 CGADHM CC(C)C[C@@H](Oc1cccc(-c2nn[n-]n2)c1)C(C)C ZINC001231117496 818034173 /nfs/dbraw/zinc/03/41/73/818034173.db2.gz CAZXCZKORHVIOV-CQSZACIVSA-N -1 3 274.368 3.316 20 0 CGADHM COC(=O)[C@@H](C)Oc1ccccc1Oc1ccccc1[O-] ZINC001231219259 818059290 /nfs/dbraw/zinc/05/92/90/818059290.db2.gz UNHYRECONBHJGZ-LLVKDONJSA-N -1 3 288.299 3.125 20 0 CGADHM CC1(C)CN(Cc2ccc(Cl)c([O-])c2)CCCO1 ZINC001231733637 818160813 /nfs/dbraw/zinc/16/08/13/818160813.db2.gz BHXIQWZZCQMBQB-UHFFFAOYSA-N -1 3 269.772 3.047 20 0 CGADHM CCO[C@@H]1CCCN(Cc2ccc(Cl)c([O-])c2)C1 ZINC001231732655 818161327 /nfs/dbraw/zinc/16/13/27/818161327.db2.gz ALNPLHIKNPWTMG-GFCCVEGCSA-N -1 3 269.772 3.047 20 0 CGADHM CO[C@@H]1CCN(Cc2ccc(Cl)c([O-])c2)[C@H](C)C1 ZINC001231735868 818163804 /nfs/dbraw/zinc/16/38/04/818163804.db2.gz XIWAPPSGOMWFEQ-ZYHUDNBSSA-N -1 3 269.772 3.045 20 0 CGADHM [O-]c1cc(CN2CC[C@H](C(F)(F)F)C2)ccc1Cl ZINC001231734461 818163906 /nfs/dbraw/zinc/16/39/06/818163906.db2.gz ZZJCDZYLUAVKEB-VIFPVBQESA-N -1 3 279.689 3.430 20 0 CGADHM [O-]c1c(F)ccc(CN2CCC[C@H]3CCC[C@H]32)c1F ZINC001232934352 818476272 /nfs/dbraw/zinc/47/62/72/818476272.db2.gz FCJNZNSCGKLJMG-ZWNOBZJWSA-N -1 3 267.319 3.435 20 0 CGADHM C[C@@H]1CCN(Cc2ccc(F)c([O-])c2F)[C@@H](C)C1 ZINC001232934926 818476822 /nfs/dbraw/zinc/47/68/22/818476822.db2.gz LGIBOZZEQKPTPT-ZJUUUORDSA-N -1 3 255.308 3.291 20 0 CGADHM [O-]c1cc(CN2C[C@@H]3CC(F)(F)C[C@@H]3C2)cc(F)c1F ZINC001232971237 818486851 /nfs/dbraw/zinc/48/68/51/818486851.db2.gz YWTKKWMAVHEPTJ-AOOOYVTPSA-N -1 3 289.272 3.148 20 0 CGADHM [O-]c1cc(CN2CCCC3(CCC3)C2)cc(F)c1F ZINC001232973696 818489727 /nfs/dbraw/zinc/48/97/27/818489727.db2.gz IOADMUTWWFSPSM-UHFFFAOYSA-N -1 3 267.319 3.437 20 0 CGADHM [O-]c1cccc(CN2CCC[C@H](F)C(F)(F)C2)c1F ZINC001233049938 818510544 /nfs/dbraw/zinc/51/05/44/818510544.db2.gz JGCUIRJEOAJFKU-NSHDSACASA-N -1 3 277.261 3.101 20 0 CGADHM [O-]c1cccc(CN2CCC[C@H]2C(F)(F)F)c1F ZINC001233049337 818510632 /nfs/dbraw/zinc/51/06/32/818510632.db2.gz CNEITNLPSMKIRL-JTQLQIEISA-N -1 3 263.234 3.058 20 0 CGADHM [O-]c1cccc(CN2CCC[C@@H]2c2cccnc2)c1F ZINC001233049590 818511274 /nfs/dbraw/zinc/51/12/74/818511274.db2.gz FMIFLSLJNHSOHX-CQSZACIVSA-N -1 3 272.323 3.263 20 0 CGADHM [O-]c1cccc(CN2CCc3ncc(Cl)cc3C2)c1F ZINC001233054251 818513599 /nfs/dbraw/zinc/51/35/99/818513599.db2.gz HUAKBGWVJNVMPA-UHFFFAOYSA-N -1 3 292.741 3.138 20 0 CGADHM [O-]c1cccc(CN2CCc3nc(Cl)ccc3C2)c1F ZINC001233053079 818514008 /nfs/dbraw/zinc/51/40/08/818514008.db2.gz JFUVNIVWUPTXBS-UHFFFAOYSA-N -1 3 292.741 3.138 20 0 CGADHM O=C1CCN(Cc2c(F)ccc([O-])c2F)[C@H]2CCCC[C@H]12 ZINC001233393193 818608840 /nfs/dbraw/zinc/60/88/40/818608840.db2.gz HLDVGMXFVYIUTO-GWCFXTLKSA-N -1 3 295.329 3.004 20 0 CGADHM CCOC(=O)[C@H]1CC[C@H](Oc2cc(Cl)c([O-])cc2C)C1 ZINC001233592322 818652390 /nfs/dbraw/zinc/65/23/90/818652390.db2.gz LHDKCENOHKIBMI-QWRGUYRKSA-N -1 3 298.766 3.465 20 0 CGADHM COC(=O)[C@@H]1CCC[C@H](Oc2cc(Cl)c([O-])cc2C)C1 ZINC001233592741 818652712 /nfs/dbraw/zinc/65/27/12/818652712.db2.gz OMLALIFLVOWCDD-MNOVXSKESA-N -1 3 298.766 3.465 20 0 CGADHM Cc1cc([O-])c(Cl)cc1O[C@H]1CCOC[C@H]1C ZINC001233596426 818653518 /nfs/dbraw/zinc/65/35/18/818653518.db2.gz XSQGQDHVHGBSCM-SKDRFNHKSA-N -1 3 256.729 3.158 20 0 CGADHM COC(=O)C1(C)CC(Oc2cc(Cl)c([O-])cc2C)C1 ZINC001233594837 818654013 /nfs/dbraw/zinc/65/40/13/818654013.db2.gz OLTKZXKWHBKRIL-UHFFFAOYSA-N -1 3 284.739 3.075 20 0 CGADHM CC(C)Oc1ccc(COc2ccc3occ([O-])c3c2)cn1 ZINC001233677642 818677719 /nfs/dbraw/zinc/67/77/19/818677719.db2.gz MFEVKBLEIQRFJT-UHFFFAOYSA-N -1 3 299.326 3.023 20 0 CGADHM C[C@@H](Oc1ccc2occ([O-])c2c1)c1cccc(N(C)C)c1 ZINC001233681296 818678910 /nfs/dbraw/zinc/67/89/10/818678910.db2.gz TUZBDCQNJURQEB-GFCCVEGCSA-N -1 3 297.354 3.468 20 0 CGADHM COc1cccc([C@H](C)Oc2ccc3occ([O-])c3c2)c1 ZINC001233678495 818678998 /nfs/dbraw/zinc/67/89/98/818678998.db2.gz UOFIUXHWADEAAL-NSHDSACASA-N -1 3 284.311 3.410 20 0 CGADHM CC(C)Oc1cncc(COc2cccc([O-])c2F)c1 ZINC001233869938 818720463 /nfs/dbraw/zinc/72/04/63/818720463.db2.gz PPRWPHWZNRAPCZ-UHFFFAOYSA-N -1 3 277.295 3.293 20 0 CGADHM C[C@@H](Oc1cccc([O-])c1F)c1cccnc1F ZINC001233870984 818721625 /nfs/dbraw/zinc/72/16/25/818721625.db2.gz KOKHMXCPGVWIDP-MRVPVSSYSA-N -1 3 251.232 3.205 20 0 CGADHM CN(C)/C=C/c1ccncc1-c1ccc([O-])c(F)c1F ZINC001243345379 823360530 /nfs/dbraw/zinc/36/05/30/823360530.db2.gz PUXMXHMCMWOGFA-SOFGYWHQSA-N -1 3 276.286 3.265 20 0 CGADHM Cn1c(-c2ccc(-c3nnn[n-]3)cc2)cc2ccccc21 ZINC001243354580 823363855 /nfs/dbraw/zinc/36/38/55/823363855.db2.gz UJXCEDQWKZCXAG-UHFFFAOYSA-N -1 3 275.315 3.025 20 0 CGADHM Cn1c(-c2ccc(-c3nn[n-]n3)cc2)cc2ccccc21 ZINC001243354580 823363863 /nfs/dbraw/zinc/36/38/63/823363863.db2.gz UJXCEDQWKZCXAG-UHFFFAOYSA-N -1 3 275.315 3.025 20 0 CGADHM Cc1nn(C)cc1[C@H](C)Oc1c(Cl)ccc([O-])c1F ZINC001234264336 818821360 /nfs/dbraw/zinc/82/13/60/818821360.db2.gz QKCXGCMAZLHSPC-QMMMGPOBSA-N -1 3 284.718 3.367 20 0 CGADHM C[C@H](Oc1nc[n-]c(=O)c1-c1ccccc1)C1CCC1 ZINC001234689103 818915085 /nfs/dbraw/zinc/91/50/85/818915085.db2.gz MSKOAMDBFMZAGO-NSHDSACASA-N -1 3 270.332 3.417 20 0 CGADHM CC(C)[C@H](C)Oc1nc[n-]c(=O)c1-c1ccccc1 ZINC001234692332 818917225 /nfs/dbraw/zinc/91/72/25/818917225.db2.gz NVDLJADQPJCGCC-NSHDSACASA-N -1 3 258.321 3.273 20 0 CGADHM O=c1[n-]cnc(O[C@@H]2C[C@H]3CC[C@@H]2C3)c1-c1ccccc1 ZINC001234692376 818917544 /nfs/dbraw/zinc/91/75/44/818917544.db2.gz PIEBNYWWQGZLCY-IACUBPJLSA-N -1 3 282.343 3.417 20 0 CGADHM C[C@@H](CC(=O)OC(C)(C)C)Oc1nc2ccsc2[n-]1 ZINC001234852353 818934772 /nfs/dbraw/zinc/93/47/72/818934772.db2.gz UPRDRKKEKPULBB-QMMMGPOBSA-N -1 3 282.365 3.124 20 0 CGADHM C[C@@H](CC(=O)OC(C)(C)C)Oc1nc2sccc2[n-]1 ZINC001234852353 818934776 /nfs/dbraw/zinc/93/47/76/818934776.db2.gz UPRDRKKEKPULBB-QMMMGPOBSA-N -1 3 282.365 3.124 20 0 CGADHM Cc1cnc2c(ccnc2-c2cc([O-])cc(Cl)c2)n1 ZINC001235898713 819208395 /nfs/dbraw/zinc/20/83/95/819208395.db2.gz BWEIZXOAVDLISR-UHFFFAOYSA-N -1 3 271.707 3.359 20 0 CGADHM CCOC(=O)Cc1ccc(-c2cc([O-])cc(Cl)c2)nc1 ZINC001235899059 819208810 /nfs/dbraw/zinc/20/88/10/819208810.db2.gz BNZAEJQKAAXYFY-UHFFFAOYSA-N -1 3 291.734 3.213 20 0 CGADHM CC1(C)C(=O)Nc2cc(-c3cc([O-])cc(Cl)c3)ncc21 ZINC001235900656 819210129 /nfs/dbraw/zinc/21/01/29/819210129.db2.gz ZRVQHEHGRDIYDV-UHFFFAOYSA-N -1 3 288.734 3.337 20 0 CGADHM CCOc1cc(C)ccc1-c1ccc(Cc2nnn[n-]2)cc1 ZINC001243408133 823395416 /nfs/dbraw/zinc/39/54/16/823395416.db2.gz XKNRBDPAAYGQHO-UHFFFAOYSA-N -1 3 294.358 3.165 20 0 CGADHM CCOc1cc(C)ccc1-c1ccc(Cc2nn[n-]n2)cc1 ZINC001243408133 823395423 /nfs/dbraw/zinc/39/54/23/823395423.db2.gz XKNRBDPAAYGQHO-UHFFFAOYSA-N -1 3 294.358 3.165 20 0 CGADHM S=c1ccc(-c2ccnc(Cl)c2Cl)n[n-]1 ZINC001243412911 823397169 /nfs/dbraw/zinc/39/71/69/823397169.db2.gz CXMJRFFKHHNXBT-UHFFFAOYSA-N -1 3 258.133 3.134 20 0 CGADHM Clc1ccc(-c2ccc(Cc3nnn[n-]3)cc2)cc1 ZINC001236096172 819315201 /nfs/dbraw/zinc/31/52/01/819315201.db2.gz ZKKXGDPRWHQPEE-UHFFFAOYSA-N -1 3 270.723 3.111 20 0 CGADHM Clc1ccc(-c2ccc(Cc3nn[n-]n3)cc2)cc1 ZINC001236096172 819315206 /nfs/dbraw/zinc/31/52/06/819315206.db2.gz ZKKXGDPRWHQPEE-UHFFFAOYSA-N -1 3 270.723 3.111 20 0 CGADHM CCOC(=O)c1ccncc1-c1c(F)ccc(C)c1[O-] ZINC001236405082 819453432 /nfs/dbraw/zinc/45/34/32/819453432.db2.gz IBDFDMCCHXVYQX-UHFFFAOYSA-N -1 3 275.279 3.078 20 0 CGADHM CC(C)Oc1cccc(-c2ccc(=S)[n-]n2)c1F ZINC001243449241 823407531 /nfs/dbraw/zinc/40/75/31/823407531.db2.gz VJICYCHAVCGTIJ-UHFFFAOYSA-N -1 3 264.325 3.359 20 0 CGADHM Cc1ccc(F)c(-c2cccn(-c3ccncc3)c2=O)c1[O-] ZINC001236414975 819460946 /nfs/dbraw/zinc/46/09/46/819460946.db2.gz NSAFJCRKWCRBJK-UHFFFAOYSA-N -1 3 296.301 3.053 20 0 CGADHM CC(C)Nc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001236483764 819498993 /nfs/dbraw/zinc/49/89/93/819498993.db2.gz NTOZAMVKTVTYLC-UHFFFAOYSA-N -1 3 279.347 3.354 20 0 CGADHM CC(C)Nc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001236483764 819498997 /nfs/dbraw/zinc/49/89/97/819498997.db2.gz NTOZAMVKTVTYLC-UHFFFAOYSA-N -1 3 279.347 3.354 20 0 CGADHM S=c1ccc(-c2cncc(OCc3ccccc3)c2)n[n-]1 ZINC001236567326 819538425 /nfs/dbraw/zinc/53/84/25/819538425.db2.gz DAGZVFWHBHYODI-UHFFFAOYSA-N -1 3 295.367 3.406 20 0 CGADHM [O-]c1cc(F)cc(CN2CCC[C@H](F)C(F)(F)C2)c1 ZINC001237278746 819716525 /nfs/dbraw/zinc/71/65/25/819716525.db2.gz CEEYEASLJKPOGJ-LBPRGKRZSA-N -1 3 277.261 3.101 20 0 CGADHM CN1Cc2cccc(-c3cccc([O-])c3F)c2NC1=O ZINC001243548773 823440236 /nfs/dbraw/zinc/44/02/36/823440236.db2.gz ISOMFROATUYIBF-UHFFFAOYSA-N -1 3 272.279 3.176 20 0 CGADHM CCOC(=O)c1cc(C)nc(-c2cccc([O-])c2F)c1 ZINC001243543610 823436628 /nfs/dbraw/zinc/43/66/28/823436628.db2.gz UVYMPFSGCVIIHC-UHFFFAOYSA-N -1 3 275.279 3.078 20 0 CGADHM [O-]c1cccc(-c2cc(C(F)(F)F)cnn2)c1F ZINC001243543819 823437260 /nfs/dbraw/zinc/43/72/60/823437260.db2.gz YDEJMRHQGLXZIM-UHFFFAOYSA-N -1 3 258.174 3.007 20 0 CGADHM COC(=O)c1c(F)c(-c2cccc([O-])c2F)ccc1OC ZINC001243545528 823437743 /nfs/dbraw/zinc/43/77/43/823437743.db2.gz DJZCUPMXBBGKLB-UHFFFAOYSA-N -1 3 294.253 3.133 20 0 CGADHM COC(=O)c1ccc(F)c(-c2cccc([O-])c2F)c1 ZINC001243546457 823439191 /nfs/dbraw/zinc/43/91/91/823439191.db2.gz NMEPVXHQUZXATM-UHFFFAOYSA-N -1 3 264.227 3.124 20 0 CGADHM [O-]c1cccc(-c2ccc(OC3CCOCC3)nc2)c1F ZINC001243547014 823439409 /nfs/dbraw/zinc/43/94/09/823439409.db2.gz YGWPPGQRADCRHG-UHFFFAOYSA-N -1 3 289.306 3.151 20 0 CGADHM [O-]c1cccc(-c2ccc(F)c(C3OCCO3)c2)c1F ZINC001243547846 823439556 /nfs/dbraw/zinc/43/95/56/823439556.db2.gz YAVRYSIRIYXNDZ-UHFFFAOYSA-N -1 3 278.254 3.383 20 0 CGADHM Nc1nc2ccc(-c3cccc([O-])c3F)cc2s1 ZINC001243547257 823439816 /nfs/dbraw/zinc/43/98/16/823439816.db2.gz PJGIGEAFVONBQS-UHFFFAOYSA-N -1 3 260.293 3.390 20 0 CGADHM Cc1cc(OC(C)C)ncc1-c1cccc(-c2nnn[n-]2)c1 ZINC001238825048 820126290 /nfs/dbraw/zinc/12/62/90/820126290.db2.gz CDTKDLSVWSFPQM-UHFFFAOYSA-N -1 3 295.346 3.024 20 0 CGADHM Cc1cc(OC(C)C)ncc1-c1cccc(-c2nn[n-]n2)c1 ZINC001238825048 820126294 /nfs/dbraw/zinc/12/62/94/820126294.db2.gz CDTKDLSVWSFPQM-UHFFFAOYSA-N -1 3 295.346 3.024 20 0 CGADHM CSc1cc(-c2ccc(=S)[n-]n2)ccc1F ZINC001238954501 820167241 /nfs/dbraw/zinc/16/72/41/820167241.db2.gz PDZDFYRFGQYNSK-UHFFFAOYSA-N -1 3 252.339 3.293 20 0 CGADHM COC(=O)c1ncccc1-c1ccc(C(F)(F)F)cc1[O-] ZINC001243606951 823464924 /nfs/dbraw/zinc/46/49/24/823464924.db2.gz PMHFCOSRFBZCEH-UHFFFAOYSA-N -1 3 297.232 3.260 20 0 CGADHM [O-]c1cc(C(F)(F)F)ccc1-c1cncc2nccn21 ZINC001243607584 823465902 /nfs/dbraw/zinc/46/59/02/823465902.db2.gz ALLLXGCLNCBDEH-UHFFFAOYSA-N -1 3 279.221 3.121 20 0 CGADHM COc1ccc(-c2ccc3c(c2)[N-]C(=S)C3)cn1 ZINC001239727609 820553294 /nfs/dbraw/zinc/55/32/94/820553294.db2.gz KYIBBOFVOCUURS-UHFFFAOYSA-N -1 3 256.330 3.053 20 0 CGADHM CCc1ccccc1-c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001239746238 820568109 /nfs/dbraw/zinc/56/81/09/820568109.db2.gz QAEAFQLCVRXXCT-UHFFFAOYSA-N -1 3 268.295 3.235 20 0 CGADHM CCc1ccccc1-c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001239746238 820568112 /nfs/dbraw/zinc/56/81/12/820568112.db2.gz QAEAFQLCVRXXCT-UHFFFAOYSA-N -1 3 268.295 3.235 20 0 CGADHM Cc1ccc(-c2ccc(-c3nnn[n-]3)c(F)c2)cc1F ZINC001239823443 820638689 /nfs/dbraw/zinc/63/86/89/820638689.db2.gz RLGCORPJAIOXQU-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM Cc1ccc(-c2ccc(-c3nn[n-]n3)c(F)c2)cc1F ZINC001239823443 820638692 /nfs/dbraw/zinc/63/86/92/820638692.db2.gz RLGCORPJAIOXQU-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM Cc1ccc(-c2ccc3c(ccn3C)c2)cc1-c1nnn[n-]1 ZINC001239942781 820723824 /nfs/dbraw/zinc/72/38/24/820723824.db2.gz AFYSBGKVYRTSGO-UHFFFAOYSA-N -1 3 289.342 3.334 20 0 CGADHM Cc1ccc(-c2ccc3c(ccn3C)c2)cc1-c1nn[n-]n1 ZINC001239942781 820723828 /nfs/dbraw/zinc/72/38/28/820723828.db2.gz AFYSBGKVYRTSGO-UHFFFAOYSA-N -1 3 289.342 3.334 20 0 CGADHM Cn1ccc2cc(-c3cc(F)cc(-c4nnn[n-]4)c3)ccc21 ZINC001239943513 820725173 /nfs/dbraw/zinc/72/51/73/820725173.db2.gz KLNYMNJKRZBNRW-UHFFFAOYSA-N -1 3 293.305 3.165 20 0 CGADHM Cn1ccc2cc(-c3cc(F)cc(-c4nn[n-]n4)c3)ccc21 ZINC001239943513 820725178 /nfs/dbraw/zinc/72/51/78/820725178.db2.gz KLNYMNJKRZBNRW-UHFFFAOYSA-N -1 3 293.305 3.165 20 0 CGADHM Fc1cc2[nH]ccc2c(-c2ccc(Cc3nnn[n-]3)cc2)c1 ZINC001240037849 820799785 /nfs/dbraw/zinc/79/97/85/820799785.db2.gz ZBZWYMNUZFKFBW-UHFFFAOYSA-N -1 3 293.305 3.078 20 0 CGADHM Fc1cc2[nH]ccc2c(-c2ccc(Cc3nn[n-]n3)cc2)c1 ZINC001240037849 820799792 /nfs/dbraw/zinc/79/97/92/820799792.db2.gz ZBZWYMNUZFKFBW-UHFFFAOYSA-N -1 3 293.305 3.078 20 0 CGADHM Cc1cc(F)cc(-c2cc(-c3nnn[n-]3)ccc2F)c1 ZINC001240595660 821177001 /nfs/dbraw/zinc/17/70/01/821177001.db2.gz OHZBEJCZYIXOQB-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM Cc1cc(F)cc(-c2cc(-c3nn[n-]n3)ccc2F)c1 ZINC001240595660 821177005 /nfs/dbraw/zinc/17/70/05/821177005.db2.gz OHZBEJCZYIXOQB-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM Cc1ccc2nc(-c3ccc([O-])c(F)c3)ccc2n1 ZINC001240782119 821321122 /nfs/dbraw/zinc/32/11/22/821321122.db2.gz QCNOBSBYPSNKOR-UHFFFAOYSA-N -1 3 254.264 3.450 20 0 CGADHM CCOC(=O)c1cnc(-c2ccc([O-])c(F)c2)c(C)c1 ZINC001240783892 821323861 /nfs/dbraw/zinc/32/38/61/821323861.db2.gz ZQPFPYLXVCFIOX-UHFFFAOYSA-N -1 3 275.279 3.078 20 0 CGADHM O=C1CCc2c(cccc2-c2ccc([O-])c(F)c2)N1 ZINC001240786805 821326039 /nfs/dbraw/zinc/32/60/39/821326039.db2.gz WKQKJZOZLKFQGT-UHFFFAOYSA-N -1 3 257.264 3.083 20 0 CGADHM CCOC(=O)COc1ccc(-c2ccc([O-])c(F)c2)cc1 ZINC001240786396 821326439 /nfs/dbraw/zinc/32/64/39/821326439.db2.gz KHULSXHJVVOSLC-UHFFFAOYSA-N -1 3 290.290 3.140 20 0 CGADHM CCN(CC)C(=O)c1cncc(-c2ccc([O-])c(F)c2)c1 ZINC001240786771 821326725 /nfs/dbraw/zinc/32/67/25/821326725.db2.gz UIBPRHHAUZBJKH-UHFFFAOYSA-N -1 3 288.322 3.075 20 0 CGADHM COC(=O)c1ccc(-c2ccc([O-])c(F)c2)c2cc[nH]c21 ZINC001240787035 821329331 /nfs/dbraw/zinc/32/93/31/821329331.db2.gz HVDVATUFRNXBBB-UHFFFAOYSA-N -1 3 285.274 3.466 20 0 CGADHM CC(=O)Nc1ccc(-c2ccc([O-])c(F)c2)cc1C ZINC001240787273 821329828 /nfs/dbraw/zinc/32/98/28/821329828.db2.gz VFXGGRJAWRJHDF-UHFFFAOYSA-N -1 3 259.280 3.465 20 0 CGADHM [O-]c1ccc(-c2ccc(C3OCCO3)c(F)c2)cc1F ZINC001240787288 821330053 /nfs/dbraw/zinc/33/00/53/821330053.db2.gz WBOGQCDZWMEFFR-UHFFFAOYSA-N -1 3 278.254 3.383 20 0 CGADHM COc1ccc(-c2ccc([O-])c(F)c2)c(OC)c1OC ZINC001240790945 821333541 /nfs/dbraw/zinc/33/35/41/821333541.db2.gz RLSRDPFYJOHDII-UHFFFAOYSA-N -1 3 278.279 3.224 20 0 CGADHM CCOC(=O)c1cnc(-c2ccccc2[O-])cc1OCC ZINC001241003928 821483125 /nfs/dbraw/zinc/48/31/25/821483125.db2.gz XNSKKWFCTGIOJE-UHFFFAOYSA-N -1 3 287.315 3.030 20 0 CGADHM CSc1ncc2ccc(-c3ccccc3[O-])nc2n1 ZINC001241007632 821484010 /nfs/dbraw/zinc/48/40/10/821484010.db2.gz FWJOYILLNVPCTE-UHFFFAOYSA-N -1 3 269.329 3.119 20 0 CGADHM CC1CCN(c2ccc(-c3ccccc3[O-])nn2)CC1 ZINC001241007864 821484126 /nfs/dbraw/zinc/48/41/26/821484126.db2.gz BDWRVASZQUPYRY-UHFFFAOYSA-N -1 3 269.348 3.086 20 0 CGADHM NC(=S)c1cnc(-c2ccccc2[O-])c2sccc21 ZINC001241008329 821485177 /nfs/dbraw/zinc/48/51/77/821485177.db2.gz HOWZLZOQMOFIHG-UHFFFAOYSA-N -1 3 286.381 3.303 20 0 CGADHM COC(=O)c1ccc2c(c1)ncnc2-c1ccc(C)cc1[O-] ZINC001241028075 821502550 /nfs/dbraw/zinc/50/25/50/821502550.db2.gz IHBUTDOLRIKOKA-UHFFFAOYSA-N -1 3 294.310 3.097 20 0 CGADHM Cc1ccc(-c2nccnc2OCC(C)C)c([O-])c1 ZINC001241036526 821511712 /nfs/dbraw/zinc/51/17/12/821511712.db2.gz YVSCSWDJASMTGU-UHFFFAOYSA-N -1 3 258.321 3.192 20 0 CGADHM [O-]c1cc(F)cc(-c2cc(-c3ccccn3)ncn2)c1 ZINC001241261212 821681691 /nfs/dbraw/zinc/68/16/91/821681691.db2.gz HHECNDZYXKZMFR-UHFFFAOYSA-N -1 3 267.263 3.050 20 0 CGADHM [O-]c1cc(F)cc(-c2ncccc2-n2cccc2)c1 ZINC001241262489 821682505 /nfs/dbraw/zinc/68/25/05/821682505.db2.gz MXPPXZFXNHSHLE-UHFFFAOYSA-N -1 3 254.264 3.384 20 0 CGADHM O=c1c(-c2cc([O-])cc(F)c2)cccn1-c1ccccc1 ZINC001241280330 821698643 /nfs/dbraw/zinc/69/86/43/821698643.db2.gz KULCTXOVXNECRL-UHFFFAOYSA-N -1 3 281.286 3.349 20 0 CGADHM [O-]c1cc(F)cc(-c2cnc(OCC3CCC3)cn2)c1 ZINC001241280497 821698881 /nfs/dbraw/zinc/69/88/81/821698881.db2.gz OBFKKPRGXHLECF-UHFFFAOYSA-N -1 3 274.295 3.167 20 0 CGADHM COC(=O)c1cccc(-c2c(F)ccc([O-])c2F)c1C ZINC001241291784 821708945 /nfs/dbraw/zinc/70/89/45/821708945.db2.gz WXWKWTJKTDAYMU-UHFFFAOYSA-N -1 3 278.254 3.432 20 0 CGADHM COc1ncc2cc[nH]c2c1-c1c(F)ccc([O-])c1F ZINC001241292517 821709092 /nfs/dbraw/zinc/70/90/92/821709092.db2.gz DGKRVFDYNYVBAR-UHFFFAOYSA-N -1 3 276.242 3.222 20 0 CGADHM COc1ccnc2cc(-c3c(F)ccc([O-])c3F)cnc21 ZINC001241295171 821712947 /nfs/dbraw/zinc/71/29/47/821712947.db2.gz HNHHCQDAOALAEQ-UHFFFAOYSA-N -1 3 288.253 3.289 20 0 CGADHM c1ccc2cc(-c3ccc(-c4nnn[n-]4)cc3)ncc2c1 ZINC001241441726 821835504 /nfs/dbraw/zinc/83/55/04/821835504.db2.gz UQZFTLGPKIXOJP-UHFFFAOYSA-N -1 3 273.299 3.082 20 0 CGADHM c1ccc2cc(-c3ccc(-c4nn[n-]n4)cc3)ncc2c1 ZINC001241441726 821835511 /nfs/dbraw/zinc/83/55/11/821835511.db2.gz UQZFTLGPKIXOJP-UHFFFAOYSA-N -1 3 273.299 3.082 20 0 CGADHM c1ncc(-c2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc2)o1 ZINC001241444934 821841729 /nfs/dbraw/zinc/84/17/29/821841729.db2.gz ZWEGRPRYPOQYEB-UHFFFAOYSA-N -1 3 289.298 3.189 20 0 CGADHM c1ncc(-c2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc2)o1 ZINC001241444934 821841733 /nfs/dbraw/zinc/84/17/33/821841733.db2.gz ZWEGRPRYPOQYEB-UHFFFAOYSA-N -1 3 289.298 3.189 20 0 CGADHM Cc1cc2c(cccc2-c2ccc(-c3nnn[n-]3)cc2)n1C ZINC001241446557 821842496 /nfs/dbraw/zinc/84/24/96/821842496.db2.gz GSOGUDHJTJIWLL-UHFFFAOYSA-N -1 3 289.342 3.334 20 0 CGADHM Cc1cc2c(cccc2-c2ccc(-c3nn[n-]n3)cc2)n1C ZINC001241446557 821842504 /nfs/dbraw/zinc/84/25/04/821842504.db2.gz GSOGUDHJTJIWLL-UHFFFAOYSA-N -1 3 289.342 3.334 20 0 CGADHM C[S@@](=O)c1ccc(-c2ccc3c(c2)[N-]C(=S)C3)cc1 ZINC001241488834 821890051 /nfs/dbraw/zinc/89/00/51/821890051.db2.gz GADGUILLPYQLBL-LJQANCHMSA-N -1 3 287.409 3.386 20 0 CGADHM Fc1ccc(-c2nnn[n-]2)cc1-c1ccc2c(c1)CCCN2 ZINC001241835772 822171681 /nfs/dbraw/zinc/17/16/81/822171681.db2.gz GIUONWNOXCBZCC-UHFFFAOYSA-N -1 3 295.321 3.031 20 0 CGADHM Fc1ccc(-c2nn[n-]n2)cc1-c1ccc2c(c1)CCCN2 ZINC001241835772 822171683 /nfs/dbraw/zinc/17/16/83/822171683.db2.gz GIUONWNOXCBZCC-UHFFFAOYSA-N -1 3 295.321 3.031 20 0 CGADHM FC(F)Oc1ccccc1-c1ccc(=S)[n-]n1 ZINC001241951098 822242638 /nfs/dbraw/zinc/24/26/38/822242638.db2.gz YGWMNJHUXLNAID-UHFFFAOYSA-N -1 3 254.261 3.034 20 0 CGADHM O=C1NCc2c1cccc2-c1ccc([O-])c(C(F)(F)F)c1 ZINC001242157844 822899015 /nfs/dbraw/zinc/89/90/15/822899015.db2.gz NKHUDYDSVVKAHC-UHFFFAOYSA-N -1 3 293.244 3.321 20 0 CGADHM [O-]c1ccc(-c2ccn3ncnc3c2)cc1C(F)(F)F ZINC001242157790 822899138 /nfs/dbraw/zinc/89/91/38/822899138.db2.gz MQVZNCAAENFWSA-UHFFFAOYSA-N -1 3 279.221 3.121 20 0 CGADHM CCOC(=O)Cc1ccc(-c2ccc(F)cc2[O-])cc1 ZINC001242218156 822914719 /nfs/dbraw/zinc/91/47/19/822914719.db2.gz VNLBPVNWAPYTNA-UHFFFAOYSA-N -1 3 274.291 3.304 20 0 CGADHM [O-]c1cc(F)ccc1-c1ccc(-n2ccnc2)cc1 ZINC001242217905 822914856 /nfs/dbraw/zinc/91/48/56/822914856.db2.gz MFDMOIKKKPOYQA-UHFFFAOYSA-N -1 3 254.264 3.384 20 0 CGADHM C[C@H]1C(=O)Nc2ccc(-c3ccc(F)cc3[O-])cc21 ZINC001242218238 822914953 /nfs/dbraw/zinc/91/49/53/822914953.db2.gz YNTNDXKXSXAGQX-MRVPVSSYSA-N -1 3 257.264 3.254 20 0 CGADHM O=C1CCc2cc(-c3ccc(F)cc3[O-])ccc2N1 ZINC001242217606 822914982 /nfs/dbraw/zinc/91/49/82/822914982.db2.gz GPLRFHBNXHOWQK-UHFFFAOYSA-N -1 3 257.264 3.083 20 0 CGADHM [O-]c1cc(F)ccc1-c1ccc(CN2CCOCC2)cc1 ZINC001242218207 822915184 /nfs/dbraw/zinc/91/51/84/822915184.db2.gz XPOWHBLQMVKRGR-UHFFFAOYSA-N -1 3 287.334 3.031 20 0 CGADHM [O-]c1cc(F)ccc1-c1ccc(OC(F)(F)F)nc1 ZINC001242218720 822915822 /nfs/dbraw/zinc/91/58/22/822915822.db2.gz MWKQJSWUMFUFKW-UHFFFAOYSA-N -1 3 273.185 3.492 20 0 CGADHM [O-]c1c(F)cccc1-c1ccnc(OC(F)F)c1 ZINC001242350157 822960746 /nfs/dbraw/zinc/96/07/46/822960746.db2.gz APTDLENOWQPIJW-UHFFFAOYSA-N -1 3 255.195 3.195 20 0 CGADHM Nc1nc2ccc(-c3cccc(F)c3[O-])cc2s1 ZINC001242351934 822961656 /nfs/dbraw/zinc/96/16/56/822961656.db2.gz CLPWEIUVPXJWAR-UHFFFAOYSA-N -1 3 260.293 3.390 20 0 CGADHM O=C1NCCC[C@H]1c1ccc(-c2cccc(F)c2[O-])cc1 ZINC001242353869 822963186 /nfs/dbraw/zinc/96/31/86/822963186.db2.gz RTFRKBMJNTVGJA-AWEZNQCLSA-N -1 3 285.318 3.192 20 0 CGADHM O=c1ccc(-c2cccc(F)c2[O-])cn1-c1ccccc1F ZINC001242353955 822963407 /nfs/dbraw/zinc/96/34/07/822963407.db2.gz UDSFQACDINGSBH-UHFFFAOYSA-N -1 3 299.276 3.488 20 0 CGADHM S=C1Cc2ccc(-c3ccc(-n4ccnn4)cc3)cc2[N-]1 ZINC001242417910 822987652 /nfs/dbraw/zinc/98/76/52/822987652.db2.gz FVBLRERNLCGBPD-UHFFFAOYSA-N -1 3 292.367 3.230 20 0 CGADHM CCCN1CCCC[C@@H]1C(=O)Nc1ccc(Cl)cc1[O-] ZINC001341214601 936431046 /nfs/dbraw/zinc/43/10/46/936431046.db2.gz KRXMVSQKPRENJD-CYBMUJFWSA-N -1 3 296.798 3.249 20 0 CGADHM CC(C)(F)COC(=O)c1cccc2[n-]c(C(F)F)nc21 ZINC001344786651 936543423 /nfs/dbraw/zinc/54/34/23/936543423.db2.gz KFJMSMBEOCRATK-UHFFFAOYSA-N -1 3 286.253 3.405 20 0 CGADHM CCc1ccc(C(=O)N[C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)c([O-])c1 ZINC001347989335 936905815 /nfs/dbraw/zinc/90/58/15/936905815.db2.gz PHZBUXPCCSJHFP-RTXFEEFZSA-N -1 3 295.329 3.118 20 0 CGADHM CC(C)(C(=O)Nc1cccc([O-])c1F)C(F)(F)F ZINC001348172114 936912906 /nfs/dbraw/zinc/91/29/06/936912906.db2.gz CDXQNYXMFAMYFB-UHFFFAOYSA-N -1 3 265.206 3.058 20 0 CGADHM CC1(C)C2CCC1(C(=O)[N-]OCCC(F)(F)F)CC2 ZINC001351787262 937025722 /nfs/dbraw/zinc/02/57/22/937025722.db2.gz LWLMJVQXTHVEJV-UHFFFAOYSA-N -1 3 279.302 3.203 20 0 CGADHM CCc1c(=O)n(Cc2ccccn2)[n-]c1-c1cccc(C)c1 ZINC001352085883 937036096 /nfs/dbraw/zinc/03/60/96/937036096.db2.gz WLCNBEGCVPUNDG-MRXNPFEDSA-N -1 3 293.370 3.163 20 0 CGADHM Cc1nnc([N-]C(=O)c2cc3c(o2)c(F)ccc3C)s1 ZINC001355387242 937139517 /nfs/dbraw/zinc/13/95/17/937139517.db2.gz PPJDAIIFOMDPSK-UHFFFAOYSA-N -1 3 291.307 3.293 20 0 CGADHM O=C(Cc1cccc2ncccc12)Nc1cccc([O-])c1F ZINC001545835714 937247517 /nfs/dbraw/zinc/24/75/17/937247517.db2.gz KYZVWGUBYXVMCI-UHFFFAOYSA-N -1 3 296.301 3.261 20 0 CGADHM CSc1ccc([O-])c(C(=O)N[C@@H](C)c2cccnc2)c1 ZINC001433592780 937248188 /nfs/dbraw/zinc/24/81/88/937248188.db2.gz TZLYITYWPMCZLY-JTQLQIEISA-N -1 3 288.372 3.000 20 0 CGADHM CC[C@@H]1CCN(Cc2nc(=O)c3sccc3[n-]2)[C@@H]1C ZINC001434466311 937248926 /nfs/dbraw/zinc/24/89/26/937248926.db2.gz JEPPAIUWTVVCEC-NXEZZACHSA-N -1 3 277.393 3.017 20 0 CGADHM CCCOc1ccc(CNC(=O)c2ccccc2[O-])c(C)c1 ZINC001447664095 937370547 /nfs/dbraw/zinc/37/05/47/937370547.db2.gz LBWPFBGBQYACOT-UHFFFAOYSA-N -1 3 299.370 3.419 20 0 CGADHM Cc1ccc(C(=O)NCC(F)(F)C(C)(C)C)c([O-])c1 ZINC001453955469 937405926 /nfs/dbraw/zinc/40/59/26/937405926.db2.gz CLSHWZQDUWQXGA-UHFFFAOYSA-N -1 3 271.307 3.112 20 0 CGADHM C[C@H]1CCC[C@@H](C2CN(C(=O)c3ccccc3[O-])C2)C1 ZINC001455011062 937413792 /nfs/dbraw/zinc/41/37/92/937413792.db2.gz VIOLTDRYIXKOTJ-QWHCGFSZSA-N -1 3 273.376 3.291 20 0 CGADHM C=C/C=C\CCNC(=O)c1cc2sccc2c([O-])c1 ZINC001455302895 937417427 /nfs/dbraw/zinc/41/74/27/937417427.db2.gz LQKONJPTOKTMJV-ARJAWSKDSA-N -1 3 273.357 3.469 20 0 CGADHM CC[C@H]1CCCC[C@H]1CNC(=O)c1c([O-])cccc1O ZINC001457861541 937446640 /nfs/dbraw/zinc/44/66/40/937446640.db2.gz SUNQXCLLEQGPNG-RYUDHWBXSA-N -1 3 277.364 3.044 20 0 CGADHM [O-]c1cc(O)cc(OC(C2CC2)C2CC2)c1Br ZINC001229100732 932094640 /nfs/dbraw/zinc/09/46/40/932094640.db2.gz VWMBIXWQAVDTJN-UHFFFAOYSA-N -1 3 299.164 3.428 20 0 CGADHM C[C@@H]1CC[C@@H](Oc2ccccc2-c2nnn[n-]2)C[C@@H]1C ZINC001229954939 932509260 /nfs/dbraw/zinc/50/92/60/932509260.db2.gz PXIRJTSUYQKRCN-GRYCIOLGSA-N -1 3 272.352 3.070 20 0 CGADHM C[C@@H]1CC[C@@H](Oc2ccccc2-c2nn[n-]n2)C[C@@H]1C ZINC001229954939 932509263 /nfs/dbraw/zinc/50/92/63/932509263.db2.gz PXIRJTSUYQKRCN-GRYCIOLGSA-N -1 3 272.352 3.070 20 0 CGADHM Cc1ccc2c(c1)CC[C@@H]2Oc1ccccc1-c1nnn[n-]1 ZINC001229957971 932509817 /nfs/dbraw/zinc/50/98/17/932509817.db2.gz MXBSNCWVGAXPJK-INIZCTEOSA-N -1 3 292.342 3.241 20 0 CGADHM Cc1ccc2c(c1)CC[C@@H]2Oc1ccccc1-c1nn[n-]n1 ZINC001229957971 932509821 /nfs/dbraw/zinc/50/98/21/932509821.db2.gz MXBSNCWVGAXPJK-INIZCTEOSA-N -1 3 292.342 3.241 20 0 CGADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1 ZINC001231073958 932672863 /nfs/dbraw/zinc/67/28/63/932672863.db2.gz OZRYJXPMXSXFGG-SNVBAGLBSA-N -1 3 284.294 3.146 20 0 CGADHM CCOC(=O)c1c(Cl)[n-]c(=O)cc1O[C@H]1C=CCCC1 ZINC001231090702 932676846 /nfs/dbraw/zinc/67/68/46/932676846.db2.gz KKUXNHMLDBKSIW-VIFPVBQESA-N -1 3 297.738 3.105 20 0 CGADHM CCOC(=O)c1c(Cl)[n-]c(=O)cc1O[C@@H]1C=CCCC1 ZINC001231090574 932676889 /nfs/dbraw/zinc/67/68/89/932676889.db2.gz KKUXNHMLDBKSIW-SECBINFHSA-N -1 3 297.738 3.105 20 0 CGADHM Cc1cccc([O-])c1C(=O)N[C@H](C)c1ccc2c(c1)CCO2 ZINC001304210820 932847536 /nfs/dbraw/zinc/84/75/36/932847536.db2.gz GWVWHJMXLWDBCU-GFCCVEGCSA-N -1 3 297.354 3.127 20 0 CGADHM Cc1cnnn1-c1ccc(NCc2ccc([O-])c(F)c2)cc1 ZINC001462367723 937635444 /nfs/dbraw/zinc/63/54/44/937635444.db2.gz QUHHLOPMPLVSBH-UHFFFAOYSA-N -1 3 298.321 3.033 20 0 CGADHM Cc1cc(=O)[n-]c(CN[C@@H](C)c2ccc(Cl)c(F)c2)n1 ZINC001307636064 932979258 /nfs/dbraw/zinc/97/92/58/932979258.db2.gz BKLHWOORESMWHJ-VIFPVBQESA-N -1 3 295.745 3.134 20 0 CGADHM C[C@H]1C[C@@H]1N(Cc1cc(=O)[n-]c(C2CC2)n1)c1ccccc1 ZINC001307838324 933007275 /nfs/dbraw/zinc/00/72/75/933007275.db2.gz UEPUCOMUHZMICK-LRDDRELGSA-N -1 3 295.386 3.475 20 0 CGADHM C[C@@H]1COc2ccccc2CN1Cc1ccc([O-])c(F)c1 ZINC001308686234 933159241 /nfs/dbraw/zinc/15/92/41/933159241.db2.gz ZHWOVZFBINBSML-GFCCVEGCSA-N -1 3 287.334 3.314 20 0 CGADHM CCSCC[C@H](C)NC(=O)c1ccc(CC)cc1[O-] ZINC001465451550 937701085 /nfs/dbraw/zinc/70/10/85/937701085.db2.gz PWTWSIWTPKXILA-NSHDSACASA-N -1 3 281.421 3.216 20 0 CGADHM Nc1c(F)cc(Cl)cc1C(=O)Nc1cccc([O-])c1F ZINC001466117486 937706555 /nfs/dbraw/zinc/70/65/55/937706555.db2.gz MPYSZESDMCKKRW-UHFFFAOYSA-N -1 3 298.676 3.158 20 0 CGADHM Cc1ccc(C(=O)NCc2cccc(Cl)c2F)c([O-])c1 ZINC001318908705 933794640 /nfs/dbraw/zinc/79/46/40/933794640.db2.gz IUZKHIKSKZASAD-UHFFFAOYSA-N -1 3 293.725 3.423 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CC(C)(C)C2(C)C)c1 ZINC001318909368 933794906 /nfs/dbraw/zinc/79/49/06/933794906.db2.gz IGPGFTGTUQTFKK-UHFFFAOYSA-N -1 3 261.365 3.215 20 0 CGADHM CC(C)[C@@](C)(Cc1ccccc1)C(=O)[N-]OC1CCC1 ZINC001468166390 937725090 /nfs/dbraw/zinc/72/50/90/937725090.db2.gz HQXACSUMVLRDLX-QGZVFWFLSA-N -1 3 275.392 3.492 20 0 CGADHM COc1ccc(C(=O)N[C@H](C)CCC=C(C)C)c([O-])c1 ZINC001468195244 937725444 /nfs/dbraw/zinc/72/54/44/937725444.db2.gz JUCRYTVQYOTWCP-GFCCVEGCSA-N -1 3 277.364 3.266 20 0 CGADHM COc1cc(Cl)ccc1OC(=O)c1cccc([O-])c1F ZINC001469125358 937735569 /nfs/dbraw/zinc/73/55/69/937735569.db2.gz FEXCDGIIELMOHF-UHFFFAOYSA-N -1 3 296.681 3.413 20 0 CGADHM O=C([N-]c1c(F)ccnc1F)c1cc(F)c(F)c(F)c1 ZINC001324069514 934456258 /nfs/dbraw/zinc/45/62/58/934456258.db2.gz FSVPZWZVGZXOHH-UHFFFAOYSA-N -1 3 288.175 3.029 20 0 CGADHM CCc1ccc(C(=O)NCC(C)(C)C2CC2)c([O-])c1 ZINC001472144728 937773486 /nfs/dbraw/zinc/77/34/86/937773486.db2.gz RMFONUZQRYQJSP-UHFFFAOYSA-N -1 3 261.365 3.121 20 0 CGADHM CC(C)(C)c1nc(CN[C@H]2CC[C@@H](C(=O)[O-])CC2)cs1 ZINC001331997246 935432060 /nfs/dbraw/zinc/43/20/60/935432060.db2.gz BOIJVORNQSTYPY-PHIMTYICSA-N -1 3 296.436 3.174 20 0 CGADHM CCC[C@@H](O)CCCSCc1cc(=O)[n-]c(C2CC2)n1 ZINC001335497352 936149596 /nfs/dbraw/zinc/14/95/96/936149596.db2.gz JYZFCBBMFRZXKP-CYBMUJFWSA-N -1 3 296.436 3.234 20 0 CGADHM C[C@@H](CCCCC(=O)[O-])NCc1c(Cl)n[nH]c1C1CC1 ZINC001335615608 936155644 /nfs/dbraw/zinc/15/56/44/936155644.db2.gz JJFCPUVIMNAIIG-VIFPVBQESA-N -1 3 299.802 3.064 20 0 CGADHM CC[C@H](F)C(=O)[N-][C@H](c1c(F)cccc1F)C(F)(F)F ZINC001337213028 936243613 /nfs/dbraw/zinc/24/36/13/936243613.db2.gz UAQIEWGSLJHMKY-QUBYGPBYSA-N -1 3 299.214 3.433 20 0 CGADHM CO[C@H](CNC(=O)c1cc2sccc2c([O-])c1)C(C)C ZINC001544718457 938146702 /nfs/dbraw/zinc/14/67/02/938146702.db2.gz GLHHJSNSRARZFI-CYBMUJFWSA-N -1 3 293.388 3.008 20 0 CGADHM O=C(Cc1cccc([O-])c1F)N1CC(C2CCCCC2)C1 ZINC001548846555 938152281 /nfs/dbraw/zinc/15/22/81/938152281.db2.gz MZOIOCXHZOZVLB-UHFFFAOYSA-N -1 3 291.366 3.113 20 0 CGADHM CC(C)c1ccc(C(=O)NC[C@]2(C)CCCCO2)c([O-])c1 ZINC001558627865 938216736 /nfs/dbraw/zinc/21/67/36/938216736.db2.gz NGSBJGAGVMYXHE-KRWDZBQOSA-N -1 3 291.391 3.205 20 0 CGADHM CC1(C)CCCC[C@@H]1Nc1cccc(-c2nnn[n-]2)c1 ZINC000094277273 944606816 /nfs/dbraw/zinc/60/68/16/944606816.db2.gz CLUNBKDUTAEMEH-ZDUSSCGKSA-N -1 3 271.368 3.247 20 0 CGADHM CC1(C)CCCC[C@@H]1Nc1cccc(-c2nn[n-]n2)c1 ZINC000094277273 944606820 /nfs/dbraw/zinc/60/68/20/944606820.db2.gz CLUNBKDUTAEMEH-ZDUSSCGKSA-N -1 3 271.368 3.247 20 0 CGADHM C[C@]1(C(=O)[O-])CCCN1Cc1cccc(Cl)c1Cl ZINC000086816313 949069567 /nfs/dbraw/zinc/06/95/67/949069567.db2.gz MCTZQOVIPBICEX-CYBMUJFWSA-N -1 3 288.174 3.433 20 0 CGADHM CC(C)CCC[C@@H](C)NCc1ncc(C(=O)[O-])s1 ZINC000380961180 971728928 /nfs/dbraw/zinc/72/89/28/971728928.db2.gz SVBRUMYJNVXDLI-SNVBAGLBSA-N -1 3 270.398 3.146 20 0 CGADHM CCOc1cccc(Cl)c1CN1CCC[C@@]1(C)C(=O)[O-] ZINC001592993916 951384515 /nfs/dbraw/zinc/38/45/15/951384515.db2.gz XYBWSNREMGAGFM-HNNXBMFYSA-N -1 3 297.782 3.178 20 0 CGADHM CCCC[C@H](NCc1c(F)cccc1Cl)C(=O)[O-] ZINC000075424086 957745445 /nfs/dbraw/zinc/74/54/45/957745445.db2.gz VKRDHPIVLADZNY-LBPRGKRZSA-N -1 3 273.735 3.212 20 0 CGADHM C[C@@]1(C(=O)[O-])CCCN1Cc1ccc(Cl)cc1Cl ZINC000079487146 957758152 /nfs/dbraw/zinc/75/81/52/957758152.db2.gz DUBNMWJATIEEJN-ZDUSSCGKSA-N -1 3 288.174 3.433 20 0 CGADHM Cc1ccncc1[C@@H](C)NCc1ccc(C(=O)[O-])s1 ZINC001594429632 959162529 /nfs/dbraw/zinc/16/25/29/959162529.db2.gz JIMOXOQZMJXMAI-SNVBAGLBSA-N -1 3 276.361 3.001 20 0 CGADHM O=C([O-])CCCCNC1(c2c(F)cccc2F)CCC1 ZINC001601989367 960548883 /nfs/dbraw/zinc/54/88/83/960548883.db2.gz PNEFIHRZEWRXSY-UHFFFAOYSA-N -1 3 283.318 3.189 20 0 CGADHM CCSc1cccnc1C(=O)Nc1cccc([O-])c1F ZINC001566435335 960930797 /nfs/dbraw/zinc/93/07/97/960930797.db2.gz CGTWJFXGBHILQA-UHFFFAOYSA-N -1 3 292.335 3.291 20 0 CGADHM Cc1cc(Cl)nc(C(=O)Nc2cc(F)ccc2[O-])c1 ZINC001567235174 961147613 /nfs/dbraw/zinc/14/76/13/961147613.db2.gz VDJGUUGEEZDISW-UHFFFAOYSA-N -1 3 280.686 3.140 20 0 CGADHM O=C(Nc1c([O-])cccc1Cl)[C@H]1CCc2cccnc21 ZINC001569682967 961822390 /nfs/dbraw/zinc/82/23/90/961822390.db2.gz ZTMPLHDUYHHFJG-JTQLQIEISA-N -1 3 288.734 3.109 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1Cc2cc(F)c(F)cc2C1 ZINC001570757901 962079343 /nfs/dbraw/zinc/07/93/43/962079343.db2.gz AHQWDVLEIAXHLC-UHFFFAOYSA-N -1 3 289.281 3.135 20 0 CGADHM Cc1ccc(C(=O)N2CCCc3cc(N)ccc32)c([O-])c1C ZINC001579660591 962644331 /nfs/dbraw/zinc/64/43/31/962644331.db2.gz DIESBSFPAJLYOL-UHFFFAOYSA-N -1 3 296.370 3.184 20 0 CGADHM Cc1c(NC[C@@H](C)CC(C)C)cccc1-c1nnn[n-]1 ZINC001580559839 962733758 /nfs/dbraw/zinc/73/37/58/962733758.db2.gz JMIKWWKFYOZFJC-NSHDSACASA-N -1 3 273.384 3.269 20 0 CGADHM Cc1c(NC[C@@H](C)CC(C)C)cccc1-c1nn[n-]n1 ZINC001580559839 962733772 /nfs/dbraw/zinc/73/37/72/962733772.db2.gz JMIKWWKFYOZFJC-NSHDSACASA-N -1 3 273.384 3.269 20 0 CGADHM Cc1ccnc(S[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC001581281157 962748403 /nfs/dbraw/zinc/74/84/03/962748403.db2.gz YMLWXMXMDRKRQM-NSHDSACASA-N -1 3 297.387 3.423 20 0 CGADHM Cc1ccnc(S[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001581281157 962748417 /nfs/dbraw/zinc/74/84/17/962748417.db2.gz YMLWXMXMDRKRQM-NSHDSACASA-N -1 3 297.387 3.423 20 0 CGADHM Cc1occc1SCc1ccc(-c2nnn[n-]2)s1 ZINC001581733635 962750113 /nfs/dbraw/zinc/75/01/13/962750113.db2.gz JDEIWYHDXSMIEF-UHFFFAOYSA-N -1 3 278.362 3.122 20 0 CGADHM C[C@H]1CC[C@@](C)(CNC(=O)c2ccc(O)cc2[O-])C1(C)C ZINC001584018877 962878807 /nfs/dbraw/zinc/87/88/07/962878807.db2.gz VFSSCDQNJMRBLV-GTNSWQLSSA-N -1 3 291.391 3.290 20 0 CGADHM O=C([N-]c1nc(-c2ccc[nH]2)cs1)c1cc(Cl)no1 ZINC001584885212 962967414 /nfs/dbraw/zinc/96/74/14/962967414.db2.gz WUFITGCUCHUBJZ-UHFFFAOYSA-N -1 3 294.723 3.032 20 0 CGADHM CC(C)Cc1ccc(CC(=O)[N-]OCC2CCC2)cc1 ZINC001585087910 962982417 /nfs/dbraw/zinc/98/24/17/962982417.db2.gz ZFTFPGWIPXKDRT-UHFFFAOYSA-N -1 3 275.392 3.276 20 0 CGADHM C=C/C=C\CCOc1c(C)cc(Cl)cc1-c1nnn[n-]1 ZINC001588529568 963275301 /nfs/dbraw/zinc/27/53/01/963275301.db2.gz CGLRPBXBGBGNKT-PLNGDYQASA-N -1 3 290.754 3.340 20 0 CGADHM C=C/C=C\CCOc1c(C)cc(Cl)cc1-c1nn[n-]n1 ZINC001588529568 963275310 /nfs/dbraw/zinc/27/53/10/963275310.db2.gz CGLRPBXBGBGNKT-PLNGDYQASA-N -1 3 290.754 3.340 20 0 CGADHM C=COc1ccc(NCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001588716539 963303358 /nfs/dbraw/zinc/30/33/58/963303358.db2.gz HVCHTJAWZHYIAP-UHFFFAOYSA-N -1 3 293.330 3.001 20 0 CGADHM C=COc1ccc(NCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001588716539 963303373 /nfs/dbraw/zinc/30/33/73/963303373.db2.gz HVCHTJAWZHYIAP-UHFFFAOYSA-N -1 3 293.330 3.001 20 0 CGADHM CC(C)(C)CCCN1CCc2ccc(-c3nnn[n-]3)cc21 ZINC001589124530 963346314 /nfs/dbraw/zinc/34/63/14/963346314.db2.gz HPEBSVSBUQICPC-UHFFFAOYSA-N -1 3 285.395 3.056 20 0 CGADHM CC(C)(C)CCCN1CCc2ccc(-c3nn[n-]n3)cc21 ZINC001589124530 963346322 /nfs/dbraw/zinc/34/63/22/963346322.db2.gz HPEBSVSBUQICPC-UHFFFAOYSA-N -1 3 285.395 3.056 20 0 CGADHM CC(C)CCCSc1ncc(-c2nnn[n-]2)cc1Cl ZINC001589598286 964005138 /nfs/dbraw/zinc/00/51/38/964005138.db2.gz SUDBTDRDNORRSH-UHFFFAOYSA-N -1 3 297.815 3.443 20 0 CGADHM CC(C)CCCSc1ncc(-c2nn[n-]n2)cc1Cl ZINC001589598286 964005151 /nfs/dbraw/zinc/00/51/51/964005151.db2.gz SUDBTDRDNORRSH-UHFFFAOYSA-N -1 3 297.815 3.443 20 0 CGADHM CO[C@H]1CCN(Cc2cccc(C(=O)[O-])c2Cl)[C@@H](C)C1 ZINC000394505902 972716316 /nfs/dbraw/zinc/71/63/16/972716316.db2.gz VIYSRMIFNQUERR-JQWIXIFHSA-N -1 3 297.782 3.038 20 0 CGADHM C[C@@](CC(=O)[O-])(NCc1ccsc1)c1cccc(F)c1 ZINC001592330442 977766444 /nfs/dbraw/zinc/76/64/44/977766444.db2.gz UCASOPIGTGVJBA-HNNXBMFYSA-N -1 3 293.363 3.367 20 0 CGADHM CCC(CC)(C[NH2+][C@H](C)c1cccc([O-])c1F)C(=O)[O-] ZINC001595078093 979361184 /nfs/dbraw/zinc/36/11/84/979361184.db2.gz YSAYTGZNWVRQGE-SNVBAGLBSA-N -1 3 283.343 3.073 20 0 CGADHM CC[C@@](C)(NCc1nc(-c2ccsc2)oc1C)C(=O)[O-] ZINC001594853046 982104982 /nfs/dbraw/zinc/10/49/82/982104982.db2.gz DYAPNUJNVCABBS-CQSZACIVSA-N -1 3 294.376 3.054 20 0 CGADHM CCc1[nH]c(CNCc2csc(C)c2C)cc1C(=O)[O-] ZINC001597395299 987646350 /nfs/dbraw/zinc/64/63/50/987646350.db2.gz RAWMXQXWERFMJL-UHFFFAOYSA-N -1 3 292.404 3.243 20 0 CGADHM CC(C)=CCN[C@@H](C(=O)[O-])c1ccccc1Cl ZINC001590924238 990921185 /nfs/dbraw/zinc/92/11/85/990921185.db2.gz DTDZCZJCMHGWQW-GFCCVEGCSA-N -1 3 253.729 3.022 20 0 CGADHM CC(C)[C@H](c1ccccc1)N(C)Cc1cnc(C(=O)[O-])cn1 ZINC001591058635 991475541 /nfs/dbraw/zinc/47/55/41/991475541.db2.gz RTACZVZNLTYNDD-MRXNPFEDSA-N -1 3 299.374 3.004 20 0 CGADHM CN(Cc1ccc(C(=O)[O-])cc1)Cc1ccccc1CF ZINC001598513848 992596156 /nfs/dbraw/zinc/59/61/56/992596156.db2.gz CEZHZEPNTNPIAT-UHFFFAOYSA-N -1 3 287.334 3.486 20 0 CGADHM C[C@H](N[C@H](C(=O)[O-])c1c(F)cccc1Cl)C1(C)CC1 ZINC001593189220 994111291 /nfs/dbraw/zinc/11/12/91/994111291.db2.gz FHLKPZAGOHHPAA-UFBFGSQYSA-N -1 3 285.746 3.383 20 0 CGADHM C[C@H](N[C@@H](C(=O)[O-])c1cccc(Cl)c1)c1ccc[nH]1 ZINC001593196547 994155837 /nfs/dbraw/zinc/15/58/37/994155837.db2.gz VVDCJZBOHAPBAC-TVQRCGJNSA-N -1 3 278.739 3.145 20 0 CGADHM CO[C@H]1CCN(Cc2cc(C(=O)[O-])ccc2Cl)[C@H](C)C1 ZINC001599123402 997785518 /nfs/dbraw/zinc/78/55/18/997785518.db2.gz KZHOYWJEXDPTRP-MFKMUULPSA-N -1 3 297.782 3.038 20 0 CGADHM CC1=CCC[C@H](C)[C@@H]1CNC(C)(C)c1cc(C(=O)[O-])on1 ZINC001594113201 998220256 /nfs/dbraw/zinc/22/02/56/998220256.db2.gz JKNNENQZUJLAIC-NWDGAFQWSA-N -1 3 292.379 3.190 20 0 CGADHM CC1CCC(CNC(C)(C)c2cc(C(=O)[O-])on2)CC1 ZINC001594309194 999194085 /nfs/dbraw/zinc/19/40/85/999194085.db2.gz UHHCCDIUAGFHJB-UHFFFAOYSA-N -1 3 280.368 3.024 20 0 CGADHM COCC1(NC(=O)c2cc([O-])ccc2Cl)CCCCC1 ZINC000621022023 349445203 /nfs/dbraw/zinc/44/52/03/349445203.db2.gz CULZZKWHGUGTNF-UHFFFAOYSA-N -1 3 297.782 3.125 20 0 CGADHM O=C(c1ccccc1[O-])N1CC2(CCC2)[C@@H]1c1ccncc1 ZINC000621164563 349465143 /nfs/dbraw/zinc/46/51/43/349465143.db2.gz CLSYFVHVIIZFNF-INIZCTEOSA-N -1 3 294.354 3.155 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)N[C@@H](C(F)F)C2CCCCC2)n1 ZINC000621402120 349520701 /nfs/dbraw/zinc/52/07/01/349520701.db2.gz TYZQKIAFBGXREH-ZWNOBZJWSA-N -1 3 299.365 3.355 20 0 CGADHM CC1=CC[C@@](C)(C(=O)Nc2nnc(-c3ccco3)[n-]2)CC1 ZINC000621443655 349527455 /nfs/dbraw/zinc/52/74/55/349527455.db2.gz PDPXYRXYBFWJMS-OAHLLOKOSA-N -1 3 286.335 3.140 20 0 CGADHM CC1=CC[C@@](C)(C(=O)Nc2nc(-c3ccco3)n[n-]2)CC1 ZINC000621443655 349527459 /nfs/dbraw/zinc/52/74/59/349527459.db2.gz PDPXYRXYBFWJMS-OAHLLOKOSA-N -1 3 286.335 3.140 20 0 CGADHM CC1=CC[C@@](C)(C(=O)Nc2n[n-]c(-c3ccco3)n2)CC1 ZINC000621443655 349527462 /nfs/dbraw/zinc/52/74/62/349527462.db2.gz PDPXYRXYBFWJMS-OAHLLOKOSA-N -1 3 286.335 3.140 20 0 CGADHM CC1(CC(=O)Nc2nnc(-c3ccccn3)[n-]2)CCCCC1 ZINC000124868083 187158596 /nfs/dbraw/zinc/15/85/96/187158596.db2.gz GJXHKWFSPGQXRW-UHFFFAOYSA-N -1 3 299.378 3.166 20 0 CGADHM CC1(CC(=O)Nc2nc(-c3ccccn3)n[n-]2)CCCCC1 ZINC000124868083 187158597 /nfs/dbraw/zinc/15/85/97/187158597.db2.gz GJXHKWFSPGQXRW-UHFFFAOYSA-N -1 3 299.378 3.166 20 0 CGADHM CC1(CC(=O)Nc2n[n-]c(-c3ccccn3)n2)CCCCC1 ZINC000124868083 187158598 /nfs/dbraw/zinc/15/85/98/187158598.db2.gz GJXHKWFSPGQXRW-UHFFFAOYSA-N -1 3 299.378 3.166 20 0 CGADHM CC(C)(O)C1CCC(C(=O)Nc2cc(F)ccc2[O-])CC1 ZINC000651586591 398256144 /nfs/dbraw/zinc/25/61/44/398256144.db2.gz FUJZNQXQLZMRLV-UHFFFAOYSA-N -1 3 295.354 3.047 20 0 CGADHM O=C([C@@H]1C[C@@H]1C1CCCC1)N1CCCc2cccc([O-])c21 ZINC000651620927 398258949 /nfs/dbraw/zinc/25/89/49/398258949.db2.gz ZCSDKQUFIXFYNQ-HUUCEWRRSA-N -1 3 285.387 3.498 20 0 CGADHM O=C([C@@H]1C[C@H]1C1CCCC1)N1CCCc2cccc([O-])c21 ZINC000651620928 398259097 /nfs/dbraw/zinc/25/90/97/398259097.db2.gz ZCSDKQUFIXFYNQ-LSDHHAIUSA-N -1 3 285.387 3.498 20 0 CGADHM Cc1ccc2c(CSc3cccnn3)ccc([O-])c2n1 ZINC000337768755 214254892 /nfs/dbraw/zinc/25/48/92/214254892.db2.gz UOEUSWBEBLOXFE-UHFFFAOYSA-N -1 3 283.356 3.331 20 0 CGADHM Cc1ccc(-c2nnc(NC(=O)[C@@]3(C)CC=CCC3)[n-]2)o1 ZINC000621917287 349607221 /nfs/dbraw/zinc/60/72/21/349607221.db2.gz ROPJXNGUBWVRHU-HNNXBMFYSA-N -1 3 286.335 3.058 20 0 CGADHM Cc1ccc(-c2n[n-]c(NC(=O)[C@@]3(C)CC=CCC3)n2)o1 ZINC000621917287 349607223 /nfs/dbraw/zinc/60/72/23/349607223.db2.gz ROPJXNGUBWVRHU-HNNXBMFYSA-N -1 3 286.335 3.058 20 0 CGADHM Cc1ccc(-c2nc(NC(=O)[C@@]3(C)CC=CCC3)n[n-]2)o1 ZINC000621917287 349607227 /nfs/dbraw/zinc/60/72/27/349607227.db2.gz ROPJXNGUBWVRHU-HNNXBMFYSA-N -1 3 286.335 3.058 20 0 CGADHM O=C(c1cc(F)c[n-]c1=O)N1CCCC2(CCCC2)CC1 ZINC000622138427 349634571 /nfs/dbraw/zinc/63/45/71/349634571.db2.gz VSPDSXBEWGNXER-UHFFFAOYSA-N -1 3 292.354 3.113 20 0 CGADHM O=C(NC1CC2(CCC2)C1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622128292 349633153 /nfs/dbraw/zinc/63/31/53/349633153.db2.gz XURBOVWDLXPYQX-UHFFFAOYSA-N -1 3 299.292 3.474 20 0 CGADHM Cc1nc2ccc(C(=O)Nc3c(C)cccc3[O-])cc2o1 ZINC000350782902 219060361 /nfs/dbraw/zinc/06/03/61/219060361.db2.gz LRCXLUFLSMQKQW-UHFFFAOYSA-N -1 3 282.299 3.403 20 0 CGADHM [O-]c1cc(CN2CCC[C@H](F)C2)cc(C(F)(F)F)c1 ZINC000652076486 398324241 /nfs/dbraw/zinc/32/42/41/398324241.db2.gz HEKYLRXUZIXXRK-NSHDSACASA-N -1 3 277.261 3.345 20 0 CGADHM COc1cccc(C(=O)Nc2nccc(C)c2C2CC2)c1[O-] ZINC000622151727 349639560 /nfs/dbraw/zinc/63/95/60/349639560.db2.gz WZHVWGWSOCBWRH-UHFFFAOYSA-N -1 3 298.342 3.234 20 0 CGADHM CCC(CC)CCCN(C)C(=O)c1c([O-])cccc1O ZINC000622179990 349642162 /nfs/dbraw/zinc/64/21/62/349642162.db2.gz WLJRCQQXTSNKCO-UHFFFAOYSA-N -1 3 279.380 3.386 20 0 CGADHM Cc1ccc([O-])c(CNCc2ccc([C@H]3C[C@H]3C)o2)n1 ZINC000590881345 346883007 /nfs/dbraw/zinc/88/30/07/346883007.db2.gz WGWCHBWKTVBJQM-MFKMUULPSA-N -1 3 272.348 3.102 20 0 CGADHM Cc1ccc([O-])c(CNCc2ccc([C@@H]3C[C@@H]3C)o2)n1 ZINC000590881344 346883061 /nfs/dbraw/zinc/88/30/61/346883061.db2.gz WGWCHBWKTVBJQM-GXFFZTMASA-N -1 3 272.348 3.102 20 0 CGADHM CC[C@@H](CC(F)(F)F)NC(=O)c1cccc(C)c1[O-] ZINC000436979343 529458851 /nfs/dbraw/zinc/45/88/51/529458851.db2.gz KPPFDBLZOZRVDV-VIFPVBQESA-N -1 3 275.270 3.161 20 0 CGADHM CCc1cccc(C(=O)NC[C@H](C)c2ccccc2)c1[O-] ZINC000622281689 349667661 /nfs/dbraw/zinc/66/76/61/349667661.db2.gz NYAPQXYFVZFASM-ZDUSSCGKSA-N -1 3 283.371 3.488 20 0 CGADHM Cc1cccc([O-])c1NC(=O)c1cc2nccnc2cc1F ZINC000350804745 219063375 /nfs/dbraw/zinc/06/33/75/219063375.db2.gz CKZVVYUQLNQVMC-UHFFFAOYSA-N -1 3 297.289 3.035 20 0 CGADHM CC[C@@]1(C)CCCN(C(=O)c2cccc(C)c2[O-])C1 ZINC000174752171 529523227 /nfs/dbraw/zinc/52/32/27/529523227.db2.gz LCVKZDGWIHTZBR-INIZCTEOSA-N -1 3 261.365 3.353 20 0 CGADHM Cc1ccc(C(=O)N[C@@H](C)C2CCC(F)CC2)c([O-])c1 ZINC000622752918 349700041 /nfs/dbraw/zinc/70/00/41/349700041.db2.gz NOXGTRQJLNXCTQ-HIFPTAJRSA-N -1 3 279.355 3.347 20 0 CGADHM CCc1ccc(C(=O)N2CC(CC)(CC)C2)c([O-])c1 ZINC000436999431 529594637 /nfs/dbraw/zinc/59/46/37/529594637.db2.gz LMZINHFQZLHXDA-UHFFFAOYSA-N -1 3 261.365 3.217 20 0 CGADHM CCc1ccc(C(=O)Nc2ccc(CN(C)C)cc2)c([O-])c1 ZINC000436798262 529609800 /nfs/dbraw/zinc/60/98/00/529609800.db2.gz RXDTWSKCQAHABP-UHFFFAOYSA-N -1 3 298.386 3.269 20 0 CGADHM CCc1ccc(C(=O)N2CCC[C@H](C)[C@H]2C)c([O-])c1 ZINC000191773331 529597315 /nfs/dbraw/zinc/59/73/15/529597315.db2.gz YZGQJLHBONMZCX-NWDGAFQWSA-N -1 3 261.365 3.215 20 0 CGADHM CCc1ccc(C(=O)N2CCc3ccsc3C2)c([O-])c1 ZINC000436827265 529600756 /nfs/dbraw/zinc/60/07/56/529600756.db2.gz CZNNXOGTPGGQSU-UHFFFAOYSA-N -1 3 287.384 3.215 20 0 CGADHM CCc1ncsc1NC(=O)c1cc([O-])ccc1Cl ZINC000336033865 529764260 /nfs/dbraw/zinc/76/42/60/529764260.db2.gz DNCOMQDYGCSFPK-UHFFFAOYSA-N -1 3 282.752 3.317 20 0 CGADHM Cc1cccc([O-])c1C(=O)N[C@H](C)CCc1ccco1 ZINC000623501206 349821460 /nfs/dbraw/zinc/82/14/60/349821460.db2.gz OKAZVONUNGHYON-GFCCVEGCSA-N -1 3 273.332 3.045 20 0 CGADHM CN(CCC1CC1)C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436611854 529876192 /nfs/dbraw/zinc/87/61/92/529876192.db2.gz YWBYBWOCEYOZEW-UHFFFAOYSA-N -1 3 273.376 3.143 20 0 CGADHM CCCCN(C)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000023696748 344898297 /nfs/dbraw/zinc/89/82/97/344898297.db2.gz NUUBGPJONVAWFR-UHFFFAOYSA-N -1 3 285.347 3.314 20 0 CGADHM O=C(NC[C@@H]1CCCc2ccccc21)c1ccccc1[O-] ZINC000030694515 344923309 /nfs/dbraw/zinc/92/33/09/344923309.db2.gz XVOUWSLVICXXPG-AWEZNQCLSA-N -1 3 281.355 3.242 20 0 CGADHM O=C([N-]c1nnc(-c2ccccc2)s1)c1ccoc1 ZINC000028282712 344913604 /nfs/dbraw/zinc/91/36/04/344913604.db2.gz UYEFVCPKNXODLK-UHFFFAOYSA-N -1 3 271.301 3.050 20 0 CGADHM O=C([O-])c1sc2ccccc2c1CN1CCSCC1 ZINC000036928948 344945575 /nfs/dbraw/zinc/94/55/75/344945575.db2.gz AWPFTCXTBULSRL-UHFFFAOYSA-N -1 3 293.413 3.148 20 0 CGADHM O=C([O-])C[C@@H]1CCCN1Cc1ccccc1C(F)(F)F ZINC000042162867 344980352 /nfs/dbraw/zinc/98/03/52/344980352.db2.gz JFOYGWJTXLQMFT-NSHDSACASA-N -1 3 287.281 3.145 20 0 CGADHM O=C(Nc1ccccc1[O-])c1cc2c(c(Cl)c1)OCO2 ZINC000045621907 345028558 /nfs/dbraw/zinc/02/85/58/345028558.db2.gz UIDXMZDXGZSVKM-UHFFFAOYSA-N -1 3 291.690 3.027 20 0 CGADHM CCCC(C)(C)[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000051163546 345087757 /nfs/dbraw/zinc/08/77/57/345087757.db2.gz UNTZUTITOZWKFK-UHFFFAOYSA-N -1 3 293.791 3.336 20 0 CGADHM C[C@H]1CCCCCN1Cc1ccc(C(=O)[O-])cc1F ZINC000070413719 345391200 /nfs/dbraw/zinc/39/12/00/345391200.db2.gz XZNSBGPYKJEBJF-NSHDSACASA-N -1 3 265.328 3.288 20 0 CGADHM COc1cccc(C(=O)Nc2ccc3ccccc3n2)c1[O-] ZINC000078362416 345603812 /nfs/dbraw/zinc/60/38/12/345603812.db2.gz ZDKCTWQWXWSVSO-UHFFFAOYSA-N -1 3 294.310 3.201 20 0 CGADHM Cc1ccc(C(=O)N(C)Cc2cccc(N(C)C)c2)c([O-])c1 ZINC000156223523 232227577 /nfs/dbraw/zinc/22/75/77/232227577.db2.gz TZWLVEFPQZLJEL-UHFFFAOYSA-N -1 3 298.386 3.039 20 0 CGADHM C[C@H](CCC[C@@H](C)C(=O)[O-])NCc1cccc(F)c1F ZINC000087677901 345756558 /nfs/dbraw/zinc/75/65/58/345756558.db2.gz YNFHVMICTLIJEZ-GHMZBOCLSA-N -1 3 285.334 3.334 20 0 CGADHM CCc1cccc(C(=O)N(C)Cc2cccc(OC)c2)c1[O-] ZINC000081707372 345718164 /nfs/dbraw/zinc/71/81/64/345718164.db2.gz XEZVGGVHJZOEJO-UHFFFAOYSA-N -1 3 299.370 3.235 20 0 CGADHM C[C@H](c1ccc(C(=O)[O-])o1)N(C)CCc1ccccc1 ZINC000091782786 345823114 /nfs/dbraw/zinc/82/31/14/345823114.db2.gz GOUMDPRKRCSXMN-GFCCVEGCSA-N -1 3 273.332 3.213 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CC[C@@H](C)C[C@H]2C)c1 ZINC000091729357 345821076 /nfs/dbraw/zinc/82/10/76/345821076.db2.gz HDCWIWZQZPOPCO-VXGBXAGGSA-N -1 3 261.365 3.215 20 0 CGADHM C[C@@H]1CC(C(=O)Nc2ccc(Cl)cc2[O-])C[C@@H](C)O1 ZINC000091695610 345821276 /nfs/dbraw/zinc/82/12/76/345821276.db2.gz DIERDINTGJPNPU-RKDXNWHRSA-N -1 3 283.755 3.188 20 0 CGADHM COc1cc(F)c(NC(=O)c2ccc(C)cc2[O-])cc1F ZINC000163276007 232257044 /nfs/dbraw/zinc/25/70/44/232257044.db2.gz HDUVCEPDCOAMIY-UHFFFAOYSA-N -1 3 293.269 3.240 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2C[C@H](C)C[C@@H](C)[C@@H]2C)c1 ZINC000166847801 232263572 /nfs/dbraw/zinc/26/35/72/232263572.db2.gz FROMTFKKYJPZQC-UPJWGTAASA-N -1 3 261.365 3.207 20 0 CGADHM C[C@H](c1ccccc1F)N1CCC(CC(=O)[O-])CC1 ZINC000093682183 345884186 /nfs/dbraw/zinc/88/41/86/345884186.db2.gz PVXRHXUXHAHLIR-LLVKDONJSA-N -1 3 265.328 3.073 20 0 CGADHM CC[C@@H](CC(=O)Nc1nnc(-c2ccco2)[n-]1)C(C)C ZINC000104837741 345925713 /nfs/dbraw/zinc/92/57/13/345925713.db2.gz RXBVTCPWXOWZJX-JTQLQIEISA-N -1 3 276.340 3.076 20 0 CGADHM CC[C@@H](CC(=O)Nc1nc(-c2ccco2)n[n-]1)C(C)C ZINC000104837741 345925714 /nfs/dbraw/zinc/92/57/14/345925714.db2.gz RXBVTCPWXOWZJX-JTQLQIEISA-N -1 3 276.340 3.076 20 0 CGADHM CC[C@@H](CC(=O)Nc1n[n-]c(-c2ccco2)n1)C(C)C ZINC000104837741 345925717 /nfs/dbraw/zinc/92/57/17/345925717.db2.gz RXBVTCPWXOWZJX-JTQLQIEISA-N -1 3 276.340 3.076 20 0 CGADHM Cc1cc(-c2csc([N-]C(=O)c3cocn3)n2)c(C)o1 ZINC000104860300 345925793 /nfs/dbraw/zinc/92/57/93/345925793.db2.gz WOHSZXZRJXLKLN-UHFFFAOYSA-N -1 3 289.316 3.260 20 0 CGADHM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1cc(C)ncn1 ZINC000130839225 346061313 /nfs/dbraw/zinc/06/13/13/346061313.db2.gz FVSRJIIGWYAFGG-UHFFFAOYSA-N -1 3 294.314 3.001 20 0 CGADHM O=C(Cc1ccc([O-])cc1Cl)N1CC[C@@H]2CCCC[C@@H]21 ZINC000128716155 346043322 /nfs/dbraw/zinc/04/33/22/346043322.db2.gz REANKQLZNQRDHR-NHYWBVRUSA-N -1 3 293.794 3.379 20 0 CGADHM C[C@]1(C(=O)[O-])CCCN(Cc2cccc(C(F)F)c2)C1 ZINC000132292917 346070863 /nfs/dbraw/zinc/07/08/63/346070863.db2.gz WBQZQQSYOQNTTJ-HNNXBMFYSA-N -1 3 283.318 3.311 20 0 CGADHM CC[C@]1(C)CCN(Cc2c(F)ccc([O-])c2F)C1 ZINC000351689020 219176730 /nfs/dbraw/zinc/17/67/30/219176730.db2.gz WKTXBEYFNSWPNF-CQSZACIVSA-N -1 3 255.308 3.292 20 0 CGADHM Cc1cccc([O-])c1C(=O)N(C)CCCOc1ccccc1 ZINC000624016443 349948379 /nfs/dbraw/zinc/94/83/79/349948379.db2.gz WZHSSZRMQLNLLT-UHFFFAOYSA-N -1 3 299.370 3.242 20 0 CGADHM Cc1cc(CNCc2cccc(C(=O)[O-])c2)ccc1F ZINC000213493873 346288272 /nfs/dbraw/zinc/28/82/72/346288272.db2.gz XWMJCNWGXINEMQ-UHFFFAOYSA-N -1 3 273.307 3.122 20 0 CGADHM CC(C)[C@@]1(C(=O)[O-])CCN(Cc2cccc(Cl)c2F)C1 ZINC000232784387 346327838 /nfs/dbraw/zinc/32/78/38/346327838.db2.gz VVHFUXWAADSQOE-OAHLLOKOSA-N -1 3 299.773 3.412 20 0 CGADHM Cc1ccc(CN2CCC[C@](C)(C(=O)[O-])C2)c(Cl)c1 ZINC000235879758 346337634 /nfs/dbraw/zinc/33/76/34/346337634.db2.gz MSFYZGFARCGMFW-HNNXBMFYSA-N -1 3 281.783 3.335 20 0 CGADHM O=C(c1ccc(O)cc1[O-])N(CC1CCCCC1)C1CC1 ZINC000193451189 232492409 /nfs/dbraw/zinc/49/24/09/232492409.db2.gz XCFPLWIGCNETGF-UHFFFAOYSA-N -1 3 289.375 3.283 20 0 CGADHM C=C(C)CN(CC)Cc1cc(C(=O)[O-])sc1C ZINC000382504809 346560285 /nfs/dbraw/zinc/56/02/85/346560285.db2.gz UTVPBDPFUNHLGC-UHFFFAOYSA-N -1 3 253.367 3.153 20 0 CGADHM O=C(Nc1cccc(Cl)c1)c1cc(C(F)(F)F)n[n-]1 ZINC000339239563 215033565 /nfs/dbraw/zinc/03/35/65/215033565.db2.gz ZTIBWRDRBUPSFN-UHFFFAOYSA-N -1 3 289.644 3.334 20 0 CGADHM O=C(Nc1cccc(Cl)c1)c1cc(C(F)(F)F)[n-]n1 ZINC000339239563 215033567 /nfs/dbraw/zinc/03/35/67/215033567.db2.gz ZTIBWRDRBUPSFN-UHFFFAOYSA-N -1 3 289.644 3.334 20 0 CGADHM Cc1cc(N2CCC3(C[C@H]3C(=O)[O-])CC2)c2ccccc2n1 ZINC000405458247 346603278 /nfs/dbraw/zinc/60/32/78/346603278.db2.gz UXCJZOTUKVRNSW-AWEZNQCLSA-N -1 3 296.370 3.234 20 0 CGADHM CC(C)[C@]1(C)C[C@H]1c1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000584695662 346708256 /nfs/dbraw/zinc/70/82/56/346708256.db2.gz WYPRJUMRWUVYMX-BONVTDFDSA-N -1 3 283.335 3.158 20 0 CGADHM CCCC[C@@H](CC)CNC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000584797854 346715074 /nfs/dbraw/zinc/71/50/74/346715074.db2.gz UQGQFHLFZLDRJZ-LLVKDONJSA-N -1 3 291.395 3.006 20 0 CGADHM COC(=O)c1cc(Cl)cc(NC(=O)CC(C)(C)C)c1[O-] ZINC000588098064 346749321 /nfs/dbraw/zinc/74/93/21/346749321.db2.gz CBLLZYZXYAEAKE-UHFFFAOYSA-N -1 3 299.754 3.207 20 0 CGADHM CCS[C@H]1CC[C@@H](N(C)Cc2cc(C)c(C(=O)[O-])o2)C1 ZINC000593739711 347110443 /nfs/dbraw/zinc/11/04/43/347110443.db2.gz IFORMVCUEREDSR-YPMHNXCESA-N -1 3 297.420 3.392 20 0 CGADHM CCc1cnc(CCNCc2cccc([O-])c2Cl)s1 ZINC000339280501 215062696 /nfs/dbraw/zinc/06/26/96/215062696.db2.gz DUVUSTVBUBHSSK-UHFFFAOYSA-N -1 3 296.823 3.397 20 0 CGADHM CCC[C@@H](C)C(=O)N=c1cc(-c2ccccc2C)[n-][nH]1 ZINC000603547357 348089307 /nfs/dbraw/zinc/08/93/07/348089307.db2.gz NFRHRXPIASXJGH-GFCCVEGCSA-N -1 3 271.364 3.182 20 0 CGADHM CC[C@]1(C)CCN(C(=O)c2cc(SC)ccc2[O-])C1 ZINC000612323576 348510495 /nfs/dbraw/zinc/51/04/95/348510495.db2.gz VILOABXTHRWVEK-OAHLLOKOSA-N -1 3 279.405 3.376 20 0 CGADHM CCc1onc(C)c1[N-]C(=O)c1oc(SC)cc1C ZINC000613074029 348563583 /nfs/dbraw/zinc/56/35/83/348563583.db2.gz FOFVSDWFXQRLCM-UHFFFAOYSA-N -1 3 280.349 3.421 20 0 CGADHM O=C(Cc1nc(=O)c2c3ccccc3sc2[n-]1)C1CC1 ZINC000614115186 348650204 /nfs/dbraw/zinc/65/02/04/348650204.db2.gz LJOKOXRBHPADEI-UHFFFAOYSA-N -1 3 284.340 3.072 20 0 CGADHM Cc1ccoc1CC(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000613574388 348619396 /nfs/dbraw/zinc/61/93/96/348619396.db2.gz HYXGHGARQHDLMK-LLVKDONJSA-N -1 3 285.343 3.377 20 0 CGADHM COc1ccc(NC(=O)[C@H]2CCCC3(CC3)C2)c([O-])c1 ZINC000613833099 348634331 /nfs/dbraw/zinc/63/43/31/348634331.db2.gz USMWNUBPKUEGSS-NSHDSACASA-N -1 3 275.348 3.310 20 0 CGADHM Cc1ccc([O-])c(C(=O)NCc2ccc([C@@H]3C[C@H]3C)o2)c1 ZINC000614754076 348692662 /nfs/dbraw/zinc/69/26/62/348692662.db2.gz MFXNBSUKKLQTRW-DGCLKSJQSA-N -1 3 285.343 3.347 20 0 CGADHM O=C(NCc1ccc([O-])c2ncccc12)C1CC2(CCC2)C1 ZINC000616019244 348781728 /nfs/dbraw/zinc/78/17/28/348781728.db2.gz AGWCPIMJACXDBT-UHFFFAOYSA-N -1 3 296.370 3.137 20 0 CGADHM Cc1c(Br)ccc([O-])c1NC(=O)CCCF ZINC000615475060 348743692 /nfs/dbraw/zinc/74/36/92/348743692.db2.gz PFVAUFQKMOSART-UHFFFAOYSA-N -1 3 290.132 3.151 20 0 CGADHM CSc1ccc([O-])c(C(=O)NC(C)(C)COC(C)C)c1 ZINC000616304576 348808823 /nfs/dbraw/zinc/80/88/23/348808823.db2.gz RDGJYYJPOYPQRC-UHFFFAOYSA-N -1 3 297.420 3.048 20 0 CGADHM O=C(CCCc1ccc([O-])c(F)c1)N1C[C@@H]2CCCC[C@@H]21 ZINC000616724333 348873165 /nfs/dbraw/zinc/87/31/65/348873165.db2.gz IWNDJEWRIWRGTJ-ZFWWWQNUSA-N -1 3 291.366 3.255 20 0 CGADHM CC(C)c1nn(C)cc1C(=O)Nc1ccc([O-])cc1Cl ZINC000616941887 348885562 /nfs/dbraw/zinc/88/55/62/348885562.db2.gz IAKHKQRNNHJGPO-UHFFFAOYSA-N -1 3 293.754 3.155 20 0 CGADHM O=C(Nc1ccc([O-])cc1Cl)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000616943205 348885736 /nfs/dbraw/zinc/88/57/36/348885736.db2.gz RYYFGLDCGIDSRT-JMJZKYOTSA-N -1 3 265.740 3.420 20 0 CGADHM Cc1cnc(CCCC(=O)Nc2ccc([O-])cc2Cl)o1 ZINC000616942884 348885949 /nfs/dbraw/zinc/88/59/49/348885949.db2.gz HNUBPCDLKQHLLL-UHFFFAOYSA-N -1 3 294.738 3.303 20 0 CGADHM CC(F)(F)CCC(=O)Nc1ccc([O-])cc1Cl ZINC000616942044 348885954 /nfs/dbraw/zinc/88/59/54/348885954.db2.gz OBKYKHGTDRJISP-UHFFFAOYSA-N -1 3 263.671 3.420 20 0 CGADHM Cc1cccc(C(=O)N2CCC(C3CCC3)CC2)c1[O-] ZINC000617774064 349006612 /nfs/dbraw/zinc/00/66/12/349006612.db2.gz MJQMKKCUJVMITD-UHFFFAOYSA-N -1 3 273.376 3.353 20 0 CGADHM Cc1cc(C(=O)N[C@H]2C[C@H](Oc3ccccc3)C2)ccc1[O-] ZINC000618414366 349081722 /nfs/dbraw/zinc/08/17/22/349081722.db2.gz KHQKLUZBBJGBII-KOMQPUFPSA-N -1 3 297.354 3.040 20 0 CGADHM CC1(C)CCN(C(=O)Cc2cncc([O-])c2)CC(C)(C)C1 ZINC000618281461 349066437 /nfs/dbraw/zinc/06/64/37/349066437.db2.gz GBQVCEJXFPBSKG-UHFFFAOYSA-N -1 3 290.407 3.005 20 0 CGADHM O=[S@@](c1ccc([O-])cc1)[C@H]1CCc2ccccc21 ZINC000618630988 349130716 /nfs/dbraw/zinc/13/07/16/349130716.db2.gz CPOGYQMMSLYTDC-YJBOKZPZSA-N -1 3 258.342 3.187 20 0 CGADHM CC[C@@H](NC(=O)c1cc([O-])ccc1C(F)(F)F)C1CC1 ZINC000618870788 349170359 /nfs/dbraw/zinc/17/03/59/349170359.db2.gz FZHRFKXLVUNXAT-GFCCVEGCSA-N -1 3 287.281 3.329 20 0 CGADHM Cc1cc(C(=O)N[C@@H](C)C2CCC(F)CC2)ccc1[O-] ZINC000619956661 349296742 /nfs/dbraw/zinc/29/67/42/349296742.db2.gz BXQFJVDGBBAQIC-DCBWTQNWSA-N -1 3 279.355 3.347 20 0 CGADHM COc1cccc(C(=O)N[C@H](C)C2CCC(F)CC2)c1[O-] ZINC000619961723 349298703 /nfs/dbraw/zinc/29/87/03/349298703.db2.gz FTIGMDVKNHYUNG-VOMCLLRMSA-N -1 3 295.354 3.047 20 0 CGADHM CC[C@@H]1CCC[C@H](C)N1C(=O)c1ccc([O-])c(OC)c1 ZINC000620577738 349389009 /nfs/dbraw/zinc/38/90/09/349389009.db2.gz MGBJOSWZTKKNPU-WCQYABFASA-N -1 3 277.364 3.194 20 0 CGADHM Cc1cccc([O-])c1C(=O)Nc1nnc(CC(C)C)s1 ZINC000624513914 350056201 /nfs/dbraw/zinc/05/62/01/350056201.db2.gz SXHVMHYPEJQXQU-UHFFFAOYSA-N -1 3 291.376 3.003 20 0 CGADHM CCC[C@@H](NC(C)C)C(=O)Nc1cccc(Cl)c1[O-] ZINC000352060831 219306362 /nfs/dbraw/zinc/30/63/62/219306362.db2.gz VTQXFWVPKRCCBB-GFCCVEGCSA-N -1 3 284.787 3.151 20 0 CGADHM CC[C@@H]1CN(Cc2cc([O-])ccc2Cl)C[C@H](C)O1 ZINC000625161746 350135147 /nfs/dbraw/zinc/13/51/47/350135147.db2.gz WGCWNLIFCIEDCW-GXFFZTMASA-N -1 3 269.772 3.045 20 0 CGADHM CO[C@H](C)CN(Cc1cc([O-])ccc1Cl)C(C)C ZINC000625181707 350137154 /nfs/dbraw/zinc/13/71/54/350137154.db2.gz BDILJUFWVKQDSR-LLVKDONJSA-N -1 3 271.788 3.291 20 0 CGADHM [O-]c1ccc(Cl)c(CN2CC[C@H](C(F)F)C2)c1 ZINC000625274839 350151644 /nfs/dbraw/zinc/15/16/44/350151644.db2.gz NKZYKNODQCMVGI-QMMMGPOBSA-N -1 3 261.699 3.133 20 0 CGADHM CCC[C@]1(CO)CCN(Cc2cc([O-])ccc2Cl)C1 ZINC000625432645 350171007 /nfs/dbraw/zinc/17/10/07/350171007.db2.gz POLYWDGQOSDZME-HNNXBMFYSA-N -1 3 283.799 3.030 20 0 CGADHM CC[C@@H]1CN(Cc2cc([O-])ccc2Cl)[C@H](C)CO1 ZINC000625512462 350179806 /nfs/dbraw/zinc/17/98/06/350179806.db2.gz OUCJXLFQNYJXKA-ZWNOBZJWSA-N -1 3 269.772 3.045 20 0 CGADHM CCOC1CC(N(C)Cc2cc([O-])ccc2Cl)C1 ZINC000625430170 350169477 /nfs/dbraw/zinc/16/94/77/350169477.db2.gz NNBRUTOFYHWOQD-UHFFFAOYSA-N -1 3 269.772 3.045 20 0 CGADHM C[C@@H]1CN(C/C=C\c2ccc(F)c(F)c2)CC[C@H]1C(=O)[O-] ZINC000625970572 350237622 /nfs/dbraw/zinc/23/76/22/350237622.db2.gz URXJJDSYKGJCFD-XFKWNRGUSA-N -1 3 295.329 3.021 20 0 CGADHM Cc1cccc([O-])c1C(=O)NCc1nc(C(C)C)cs1 ZINC000626145033 350270515 /nfs/dbraw/zinc/27/05/15/350270515.db2.gz AJVXNADOYHRYIA-UHFFFAOYSA-N -1 3 290.388 3.211 20 0 CGADHM C/C=C\C[C@@H]1CCCN([C@@H](C)c2nc(C)cc(=O)[n-]2)C1 ZINC000626163027 350273606 /nfs/dbraw/zinc/27/36/06/350273606.db2.gz CVKRJNSACSCAAU-OQOSRZTISA-N -1 3 275.396 3.230 20 0 CGADHM Cc1cccc([O-])c1C(=O)N[C@H]1CCO[C@@H](CC(C)C)C1 ZINC000626378725 350300011 /nfs/dbraw/zinc/30/00/11/350300011.db2.gz ZBUSEEOIAGATOQ-KBPBESRZSA-N -1 3 291.391 3.024 20 0 CGADHM C[C@H](CC(=O)Nc1ccc([O-])cc1F)C(F)(F)F ZINC000626394248 350302109 /nfs/dbraw/zinc/30/21/09/350302109.db2.gz BDLOWZZWIQNLHX-ZCFIWIBFSA-N -1 3 265.206 3.058 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CC[C@@](F)(c2ccccc2)C1 ZINC000626940047 350348167 /nfs/dbraw/zinc/34/81/67/350348167.db2.gz SGSADBAWBYMHLJ-SFHVURJKSA-N -1 3 299.345 3.412 20 0 CGADHM CCO[C@@H](C(=O)Nc1ccc([O-])cc1Cl)C(C)C ZINC000628035326 350393134 /nfs/dbraw/zinc/39/31/34/350393134.db2.gz HYCQNDMGNDSHFA-GFCCVEGCSA-N -1 3 271.744 3.045 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N2CCC(C)(C3CC3)CC2)n1 ZINC000352188911 219354116 /nfs/dbraw/zinc/35/41/16/219354116.db2.gz KFXGRWSMHJDXAM-LBPRGKRZSA-N -1 3 275.396 3.064 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1C[C@H](C)C(F)(F)[C@@H](C)C1 ZINC000628404167 350528421 /nfs/dbraw/zinc/52/84/21/350528421.db2.gz WIXXCFXMDPPCHO-QWRGUYRKSA-N -1 3 283.318 3.064 20 0 CGADHM Cc1cc(=O)[n-]c(C(C)(C)NCc2coc3ccccc23)n1 ZINC000628374887 350520115 /nfs/dbraw/zinc/52/01/15/350520115.db2.gz KOISXYAOCSAOED-UHFFFAOYSA-N -1 3 297.358 3.262 20 0 CGADHM Cn1ncc2c1nc(SCC1CCCCCC1)[n-]c2=O ZINC000629220433 350670319 /nfs/dbraw/zinc/67/03/19/350670319.db2.gz OBVDUMVUEJZHCE-UHFFFAOYSA-N -1 3 292.408 3.131 20 0 CGADHM C[C@@H]1CN(Cc2cccc(C(=O)[O-])c2)C[C@@H](C)C1(F)F ZINC000629365147 350679224 /nfs/dbraw/zinc/67/92/24/350679224.db2.gz UBLJFORMKPPAIG-GHMZBOCLSA-N -1 3 283.318 3.108 20 0 CGADHM O=c1[n-]c(-c2coc(C3CCC3)n2)nc2ccc(F)cc12 ZINC000630385343 350831017 /nfs/dbraw/zinc/83/10/17/350831017.db2.gz OTSJESIHEPZFSI-UHFFFAOYSA-N -1 3 285.278 3.397 20 0 CGADHM CCCCn1c(=O)[n-]nc1SCc1cc(Cl)ccn1 ZINC000631005637 350922169 /nfs/dbraw/zinc/92/21/69/350922169.db2.gz URFKUAXTZBNFKI-UHFFFAOYSA-N -1 3 298.799 3.125 20 0 CGADHM CC(C)(c1nc(-c2ccc([O-])cc2)no1)[C@@H]1CCCCO1 ZINC000632097416 351167333 /nfs/dbraw/zinc/16/73/33/351167333.db2.gz IUQJYJLJZUOVQT-ZDUSSCGKSA-N -1 3 288.347 3.289 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)CC2CSC2)c1[O-] ZINC000632147719 351172722 /nfs/dbraw/zinc/17/27/22/351172722.db2.gz ZBVWMNTWOQBMTL-UHFFFAOYSA-N -1 3 271.769 3.046 20 0 CGADHM O=C(N[C@H]1CC12CCCCC2)c1cc(=O)c2ccccc2[n-]1 ZINC000271429164 191132351 /nfs/dbraw/zinc/13/23/51/191132351.db2.gz WEWAYCQSGVPWRE-INIZCTEOSA-N -1 3 296.370 3.393 20 0 CGADHM O=C(c1cccc([O-])c1)N1CCC2(CCSCC2)CC1 ZINC000633936303 351398808 /nfs/dbraw/zinc/39/88/08/351398808.db2.gz RVWRUEAFNYUAJC-UHFFFAOYSA-N -1 3 291.416 3.142 20 0 CGADHM Cc1nc(C)c(COc2cc3occ([O-])c3c(C)c2)s1 ZINC000634561157 351514055 /nfs/dbraw/zinc/51/40/55/351514055.db2.gz OSOURYUAFWUCDO-UHFFFAOYSA-N -1 3 289.356 3.222 20 0 CGADHM CCc1[n-]n(Cc2ccc(F)c(F)c2)c(=O)c1C(C)C ZINC000634590740 351527712 /nfs/dbraw/zinc/52/77/12/351527712.db2.gz IOPVQOZINCFXBI-AWEZNQCLSA-N -1 3 280.318 3.345 20 0 CGADHM CC[C@@H](CC(=O)[N-]OC/C=C/Cl)c1ccccc1 ZINC000291434889 198020904 /nfs/dbraw/zinc/02/09/04/198020904.db2.gz AQJKWYQATIIJRK-LZGFCCKTSA-N -1 3 267.756 3.371 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)Nc1cc(OC)c(OC)cc1C ZINC000291714919 198068818 /nfs/dbraw/zinc/06/88/18/198068818.db2.gz GTXKXRKXYYYXHK-JTQLQIEISA-N -1 3 296.367 3.111 20 0 CGADHM CCc1cc(=O)[n-]c(CN([C@H](C)c2ccco2)C2CC2)n1 ZINC000122140620 187017277 /nfs/dbraw/zinc/01/72/77/187017277.db2.gz VXXVVHUCYDPCKT-LLVKDONJSA-N -1 3 287.363 3.063 20 0 CGADHM Cc1cc(C2CC2)nc([N-]C(=O)c2cc(C(C)C)no2)n1 ZINC000291726020 198071601 /nfs/dbraw/zinc/07/16/01/198071601.db2.gz WNAHTPZGNJGTOL-UHFFFAOYSA-N -1 3 286.335 3.026 20 0 CGADHM O=C([N-]c1ccncc1F)c1cc(F)c(Cl)cc1F ZINC000123149567 187073999 /nfs/dbraw/zinc/07/39/99/187073999.db2.gz FQGIAJUREMLSPS-UHFFFAOYSA-N -1 3 286.640 3.405 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)Nc1cc(NC(C)=O)ccc1C ZINC000291777845 198088393 /nfs/dbraw/zinc/08/83/93/198088393.db2.gz NMQLRZZGEGVFSE-SNVBAGLBSA-N -1 3 293.367 3.053 20 0 CGADHM Cc1ccc(C(=O)N2CC(C)(C)[C@H]2C2CC2)c([O-])c1C ZINC000292016545 198135705 /nfs/dbraw/zinc/13/57/05/198135705.db2.gz ZJCDSSJGTLLTGF-OAHLLOKOSA-N -1 3 273.376 3.270 20 0 CGADHM CC(C)(Cc1ccccc1)C(=O)[N-]OC/C=C/Cl ZINC000292224282 198208937 /nfs/dbraw/zinc/20/89/37/198208937.db2.gz QYAGQUXSBPNQMC-RMKNXTFCSA-N -1 3 267.756 3.056 20 0 CGADHM CCN(Cc1ccccn1)C(=O)c1ccc(C)c(C)c1[O-] ZINC000152674877 188035750 /nfs/dbraw/zinc/03/57/50/188035750.db2.gz YLMUORGCVCKFJX-UHFFFAOYSA-N -1 3 284.359 3.066 20 0 CGADHM [O-]C(=NO[C@H]1CCCCO1)Nc1ccc(F)cc1Cl ZINC000155467544 188208106 /nfs/dbraw/zinc/20/81/06/188208106.db2.gz ACXSVQQHLNDAMM-NSHDSACASA-N -1 3 288.706 3.059 20 0 CGADHM O=C([N-]O[C@H]1CCCCO1)Nc1ccc(F)cc1Cl ZINC000155467544 188208107 /nfs/dbraw/zinc/20/81/07/188208107.db2.gz ACXSVQQHLNDAMM-NSHDSACASA-N -1 3 288.706 3.059 20 0 CGADHM Cn1nc(NC(=O)c2cc(Cl)c(Cl)[n-]2)cc1C1CC1 ZINC000292628502 198355962 /nfs/dbraw/zinc/35/59/62/198355962.db2.gz JPLYMDCMNIFDLX-UHFFFAOYSA-N -1 3 299.161 3.185 20 0 CGADHM Fc1ccc2c(c1)CC[C@H]2[N-]c1nnc(C(F)F)o1 ZINC000292634340 198358713 /nfs/dbraw/zinc/35/87/13/198358713.db2.gz YLBBEOVPGCTEPO-SECBINFHSA-N -1 3 269.226 3.246 20 0 CGADHM COc1ccc([C@H](C)CC(=O)[N-]OC2CCCC2)cc1 ZINC000271742608 191302329 /nfs/dbraw/zinc/30/23/29/191302329.db2.gz IWYPHRAWTBHFGM-GFCCVEGCSA-N -1 3 277.364 3.179 20 0 CGADHM COCC(C)(C)CC(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000412126680 235127055 /nfs/dbraw/zinc/12/70/55/235127055.db2.gz HMNGRUKBTQPZOQ-UHFFFAOYSA-N -1 3 285.771 3.355 20 0 CGADHM Cc1ccccc1NCCC(=O)Nc1cc(F)ccc1[O-] ZINC000340316012 215537557 /nfs/dbraw/zinc/53/75/57/215537557.db2.gz SZYCXZCXCNFTSX-UHFFFAOYSA-N -1 3 288.322 3.280 20 0 CGADHM Cc1ccc(F)cc1NC([O-])=NOC1CCCC1 ZINC000271844258 191362149 /nfs/dbraw/zinc/36/21/49/191362149.db2.gz VBVCRSGZFRYMBD-UHFFFAOYSA-N -1 3 252.289 3.130 20 0 CGADHM Cc1ccc(F)cc1NC(=O)[N-]OC1CCCC1 ZINC000271844258 191362152 /nfs/dbraw/zinc/36/21/52/191362152.db2.gz VBVCRSGZFRYMBD-UHFFFAOYSA-N -1 3 252.289 3.130 20 0 CGADHM Cc1ccc(F)c(OCc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000412993554 235236887 /nfs/dbraw/zinc/23/68/87/235236887.db2.gz NMIMSCSWUWJOKG-UHFFFAOYSA-N -1 3 274.295 3.086 20 0 CGADHM CCOCCC1(CNC(=O)c2ccc([O-])c(C)c2)CCC1 ZINC000272556705 191787629 /nfs/dbraw/zinc/78/76/29/191787629.db2.gz RPNFAIYELOWWSH-UHFFFAOYSA-N -1 3 291.391 3.027 20 0 CGADHM CCO[N-]C(=O)Nc1ccc(F)cc1OC(C)(C)C ZINC000273667310 192254176 /nfs/dbraw/zinc/25/41/76/192254176.db2.gz DDOJRVPKPAGYLN-UHFFFAOYSA-N -1 3 270.304 3.076 20 0 CGADHM Cc1ccc(F)cc1CN[C@@H](C(=O)[O-])c1ccccc1 ZINC000097850435 138349203 /nfs/dbraw/zinc/34/92/03/138349203.db2.gz WBZZQLLVAQNDGL-OAHLLOKOSA-N -1 3 273.307 3.050 20 0 CGADHM Cc1ccc([O-])c(CN2CCc3c(Cl)cccc3C2)n1 ZINC000123821452 138370377 /nfs/dbraw/zinc/37/03/77/138370377.db2.gz MOPHYLKMAORHRZ-UHFFFAOYSA-N -1 3 288.778 3.307 20 0 CGADHM C[C@H]1CC[C@@H](CC(=O)Nc2ccc([O-])cc2F)C1 ZINC000124265858 138374179 /nfs/dbraw/zinc/37/41/79/138374179.db2.gz VSXSNLCAIRCYRZ-VHSXEESVSA-N -1 3 251.301 3.296 20 0 CGADHM CC[C@@H]1CCCN(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000233915740 138511089 /nfs/dbraw/zinc/51/10/89/138511089.db2.gz INWDTTWAZCGSME-SNVBAGLBSA-N -1 3 267.756 3.308 20 0 CGADHM COc1cc(Cl)ccc1CN1CCC[C@H](C)[C@H]1C(=O)[O-] ZINC000424271660 236138986 /nfs/dbraw/zinc/13/89/86/236138986.db2.gz PGHYUAJEVDUYMN-HZMBPMFUSA-N -1 3 297.782 3.034 20 0 CGADHM Cc1cc(F)c(CNCCCCCC(=O)[O-])c(F)c1 ZINC000424620841 236173024 /nfs/dbraw/zinc/17/30/24/236173024.db2.gz OWXYIWAZRVZNIW-UHFFFAOYSA-N -1 3 271.307 3.008 20 0 CGADHM C[C@@]1(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)C[C@H]1F ZINC000424733490 236185473 /nfs/dbraw/zinc/18/54/73/236185473.db2.gz INHLAKIKAOJSNV-MWLCHTKSSA-N -1 3 277.217 3.098 20 0 CGADHM Cc1ccc([C@@H](NCc2cccc(C)c2)C(=O)[O-])cc1 ZINC000426677494 236306370 /nfs/dbraw/zinc/30/63/70/236306370.db2.gz LYQFRBSGSBGNAR-MRXNPFEDSA-N -1 3 269.344 3.219 20 0 CGADHM Cc1ccc(F)cc1CNCc1ccc(C(=O)[O-])cc1 ZINC000426702880 236306849 /nfs/dbraw/zinc/30/68/49/236306849.db2.gz DFBUZMHHMHWGQI-UHFFFAOYSA-N -1 3 273.307 3.122 20 0 CGADHM O=C([O-])[C@H](NC/C=C\c1ccc(F)cc1)c1ccsc1 ZINC000426795007 236315090 /nfs/dbraw/zinc/31/50/90/236315090.db2.gz WLHLCSDIUJQQGI-DDGIKZQJSA-N -1 3 291.347 3.316 20 0 CGADHM CC(C)(C(=O)Nc1cccc([O-])c1F)C(C)(F)F ZINC000336186429 213004792 /nfs/dbraw/zinc/00/47/92/213004792.db2.gz UXGZOFUUMAWOHG-UHFFFAOYSA-N -1 3 261.243 3.151 20 0 CGADHM Cc1ccc(C(=O)NCc2ccc(C)c(F)c2)c([O-])c1C ZINC000436624281 237145180 /nfs/dbraw/zinc/14/51/80/237145180.db2.gz JBFGXWBCNSXNMS-UHFFFAOYSA-N -1 3 287.334 3.387 20 0 CGADHM C[C@H](NC(=O)c1ccccc1[O-])c1ccc2ncsc2c1 ZINC000436678448 237156274 /nfs/dbraw/zinc/15/62/74/237156274.db2.gz BODXXCCGDXCSIY-JTQLQIEISA-N -1 3 298.367 3.493 20 0 CGADHM O=C(c1ccccc1[O-])N1CCC[C@@H](Cc2ccccc2)C1 ZINC000436553708 237129290 /nfs/dbraw/zinc/12/92/90/237129290.db2.gz GICYCDMJJGROKO-INIZCTEOSA-N -1 3 295.382 3.487 20 0 CGADHM COc1cccc2c1CC[C@@H]2NC(=O)c1cccc(C)c1[O-] ZINC000436582746 237138247 /nfs/dbraw/zinc/13/82/47/237138247.db2.gz BQLKKUGYJFZNLX-HNNXBMFYSA-N -1 3 297.354 3.127 20 0 CGADHM Cc1ccc(C(=O)NCC2(C)CCCC2)c([O-])c1C ZINC000436675259 237159245 /nfs/dbraw/zinc/15/92/45/237159245.db2.gz VNSLMSAKQQZZKL-UHFFFAOYSA-N -1 3 261.365 3.319 20 0 CGADHM Cc1ccc([O-])c(C(=O)N[C@H](C)c2ccc3n[nH]cc3c2)c1 ZINC000436697733 237163334 /nfs/dbraw/zinc/16/33/34/237163334.db2.gz KSHMGKNWBANUQB-LLVKDONJSA-N -1 3 295.342 3.068 20 0 CGADHM O=C(NCc1ccccc1OCC1CC1)c1ccccc1[O-] ZINC000436720771 237167545 /nfs/dbraw/zinc/16/75/45/237167545.db2.gz UYYSERPPOPIRCR-UHFFFAOYSA-N -1 3 297.354 3.111 20 0 CGADHM Cc1ccc(C(=O)NCCO[C@H]2CCCC[C@@H]2C)c([O-])c1 ZINC000436730525 237171413 /nfs/dbraw/zinc/17/14/13/237171413.db2.gz HAAGKTJJLKBONF-BBRMVZONSA-N -1 3 291.391 3.026 20 0 CGADHM O=C(N[C@H]1CCC[C@H]1c1ccccc1)c1ccccc1[O-] ZINC000436843733 237194989 /nfs/dbraw/zinc/19/49/89/237194989.db2.gz JZYGSGKCCYHHFI-HOCLYGCPSA-N -1 3 281.355 3.458 20 0 CGADHM CCC1([N-]S(=O)(=O)c2cc(C)cs2)CCCC1 ZINC000451741620 240353524 /nfs/dbraw/zinc/35/35/24/240353524.db2.gz OKUMEPZFSUKSFQ-UHFFFAOYSA-N -1 3 273.423 3.058 20 0 CGADHM CSc1c(F)cccc1C(=O)Nc1nc(C)ccc1[O-] ZINC000437180539 237258886 /nfs/dbraw/zinc/25/88/86/237258886.db2.gz NMJPACNKXPEFIB-UHFFFAOYSA-N -1 3 292.335 3.209 20 0 CGADHM Cc1ccc(C(=O)N2CCc3cc(C)ccc3C2)c([O-])c1 ZINC000436993921 237230470 /nfs/dbraw/zinc/23/04/70/237230470.db2.gz IVUVLOJCCAQWBO-UHFFFAOYSA-N -1 3 281.355 3.208 20 0 CGADHM O=C(Nc1ccc([O-])cc1F)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000335959772 212754956 /nfs/dbraw/zinc/75/49/56/212754956.db2.gz DRXRQCYOUVRIEU-OLZOCXBDSA-N -1 3 289.281 3.413 20 0 CGADHM CC1(Cc2nc3ccc([O-])cc3c(=O)[nH]2)CCCC1 ZINC000329546588 202378418 /nfs/dbraw/zinc/37/84/18/202378418.db2.gz IDUCLNKTDBPZIC-UHFFFAOYSA-N -1 3 258.321 3.164 20 0 CGADHM CCOc1cc(CN2CC[C@@H](C)C2)cc(Cl)c1[O-] ZINC000297904038 200301556 /nfs/dbraw/zinc/30/15/56/200301556.db2.gz RTQHLVMHHHVOLX-SNVBAGLBSA-N -1 3 269.772 3.286 20 0 CGADHM CCOc1cc(CN2C[C@@H](C)OC[C@@H]2C)cc(Cl)c1[O-] ZINC000297965847 200310509 /nfs/dbraw/zinc/31/05/09/200310509.db2.gz WWWCNALCFHAYAZ-WDEREUQCSA-N -1 3 299.798 3.054 20 0 CGADHM O=C(c1c([O-])cccc1O)N1CCC[C@@H](c2ccccc2)C1 ZINC000336290966 213129755 /nfs/dbraw/zinc/12/97/55/213129755.db2.gz JKSOBPJKBHXUFW-CQSZACIVSA-N -1 3 297.354 3.118 20 0 CGADHM CC[C@@H](c1ccncc1)N(C)C(=O)c1cccc([O-])c1 ZINC000182483033 189325703 /nfs/dbraw/zinc/32/57/03/189325703.db2.gz DBHUEXLXZLGBBI-HNNXBMFYSA-N -1 3 270.332 3.011 20 0 CGADHM CCO[N-]C(=O)Nc1cc(C(F)(F)F)ccc1OCC ZINC000182956369 189340388 /nfs/dbraw/zinc/34/03/88/189340388.db2.gz CBLFWNIMBPODLT-UHFFFAOYSA-N -1 3 292.257 3.177 20 0 CGADHM C[C@@H](CC1CCCCC1)[N-]S(=O)(=O)c1cccs1 ZINC000447856572 238924422 /nfs/dbraw/zinc/92/44/22/238924422.db2.gz RTCSCHKFWHKERM-NSHDSACASA-N -1 3 287.450 3.385 20 0 CGADHM CO[C@H]1CCCC[C@H]1[N-]c1nc(-c2ccc(C)cc2)no1 ZINC000302022422 201302152 /nfs/dbraw/zinc/30/21/52/201302152.db2.gz FKHJWAARRQCDSB-KGLIPLIRSA-N -1 3 287.363 3.415 20 0 CGADHM O=C(CSc1ccccc1F)Nc1ccccc1[O-] ZINC000120451950 370768265 /nfs/dbraw/zinc/76/82/65/370768265.db2.gz NHYCGXGSNQQSSI-UHFFFAOYSA-N -1 3 277.320 3.262 20 0 CGADHM CC(C)OCCCc1noc(/C=C/c2cccc([O-])c2)n1 ZINC000275466807 193049425 /nfs/dbraw/zinc/04/94/25/193049425.db2.gz LALJDKPQTZXFFE-CMDGGOBGSA-N -1 3 288.347 3.303 20 0 CGADHM C[C@@H]1[C@@H](C)CC[N@@H+]1Cc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000459350558 242086315 /nfs/dbraw/zinc/08/63/15/242086315.db2.gz GBPFYBVJMZMECW-QWHCGFSZSA-N -1 3 283.375 3.080 20 0 CGADHM C[C@@H]1[C@@H](C)CCN1Cc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000459350558 242086325 /nfs/dbraw/zinc/08/63/25/242086325.db2.gz GBPFYBVJMZMECW-QWHCGFSZSA-N -1 3 283.375 3.080 20 0 CGADHM COc1cccc(C(=O)N2CC[C@@H](c3ccccc3)C2)c1[O-] ZINC000121524624 370868855 /nfs/dbraw/zinc/86/88/55/370868855.db2.gz UUFSJHVGWQCXSL-CQSZACIVSA-N -1 3 297.354 3.031 20 0 CGADHM CCC[C@H]1[C@H](C)CCCN1C(=O)c1cc(OC)ccc1[O-] ZINC000175290659 283996179 /nfs/dbraw/zinc/99/61/79/283996179.db2.gz UIGDBBBTUDUARQ-DOMZBBRYSA-N -1 3 291.391 3.442 20 0 CGADHM CCc1ccc([O-])c(C(=O)N(CC2CC2)C2CCC2)c1 ZINC000478633400 243083070 /nfs/dbraw/zinc/08/30/70/243083070.db2.gz MWXFTIDAARIFFI-UHFFFAOYSA-N -1 3 273.376 3.359 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CC(C)(C)[C@@H]2C(C)C)c1 ZINC000480458989 243149559 /nfs/dbraw/zinc/14/95/59/243149559.db2.gz JONAOFFJXHYUCN-HNNXBMFYSA-N -1 3 275.392 3.461 20 0 CGADHM Cc1ccc([O-])c(C(=O)N[C@@H](C(C)(C)C)C(F)(F)F)c1 ZINC000537673360 376193329 /nfs/dbraw/zinc/19/33/29/376193329.db2.gz ISDBGCSIUIEPIU-LBPRGKRZSA-N -1 3 289.297 3.407 20 0 CGADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)c(C)c1 ZINC000014223679 368679219 /nfs/dbraw/zinc/67/92/19/368679219.db2.gz RVNUDUJXXGPPGL-UHFFFAOYSA-N -1 3 291.372 3.113 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2ccc(F)c(F)c2F)c1 ZINC000019838426 368769746 /nfs/dbraw/zinc/76/97/46/368769746.db2.gz ZKWSAFWMJUHZJZ-UHFFFAOYSA-N -1 3 281.233 3.370 20 0 CGADHM CCOc1ccccc1NC(=O)c1ccc(C)cc1[O-] ZINC000019838141 368770020 /nfs/dbraw/zinc/77/00/20/368770020.db2.gz KRHDABCOYZLMRO-UHFFFAOYSA-N -1 3 271.316 3.352 20 0 CGADHM CCN(C(=O)c1cc(C)ccc1[O-])C1CCCCC1 ZINC000019839474 368771528 /nfs/dbraw/zinc/77/15/28/368771528.db2.gz GNQCUFCUQWHVJN-UHFFFAOYSA-N -1 3 261.365 3.495 20 0 CGADHM Cc1cccc(C(=O)Nc2cc(F)cc(F)c2)c1[O-] ZINC000019840196 368772121 /nfs/dbraw/zinc/77/21/21/368772121.db2.gz OZEXMCQYNZHPQU-UHFFFAOYSA-N -1 3 263.243 3.231 20 0 CGADHM CCCC[C@@H](CC)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000020495820 368808670 /nfs/dbraw/zinc/80/86/70/368808670.db2.gz YDYUTMKRFOIJNE-LLVKDONJSA-N -1 3 287.367 3.022 20 0 CGADHM CCCC[C@@H](CC)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000020495820 368808674 /nfs/dbraw/zinc/80/86/74/368808674.db2.gz YDYUTMKRFOIJNE-LLVKDONJSA-N -1 3 287.367 3.022 20 0 CGADHM O=C(/C=C\c1ccccc1OC(F)F)[N-]OCCC1CC1 ZINC000492802760 244027834 /nfs/dbraw/zinc/02/78/34/244027834.db2.gz DYUOHYKRVGRXCT-FPLPWBNLSA-N -1 3 297.301 3.149 20 0 CGADHM C[C@@H](c1ccccc1)N(C)C(=O)c1ccccc1[O-] ZINC000039270579 369149096 /nfs/dbraw/zinc/14/90/96/369149096.db2.gz PRMKMYCKLGZSPA-LBPRGKRZSA-N -1 3 255.317 3.225 20 0 CGADHM Cc1cc(C(=O)[N-]c2ncc(Cc3ccccc3)s2)on1 ZINC000039517206 369151529 /nfs/dbraw/zinc/15/15/29/369151529.db2.gz GUXIVMHANDQLPQ-UHFFFAOYSA-N -1 3 299.355 3.283 20 0 CGADHM O=C(/C=C/c1ccc(C2CC2)cc1)[N-]O[C@@H]1CCCCO1 ZINC000493063843 244090479 /nfs/dbraw/zinc/09/04/79/244090479.db2.gz MULKWOCXXOTAPC-SCBHQAGPSA-N -1 3 287.359 3.152 20 0 CGADHM COc1ccc(C(=O)N(C)[C@@H]2CCC[C@@H](C)C2)c([O-])c1 ZINC000042355419 369215717 /nfs/dbraw/zinc/21/57/17/369215717.db2.gz MPYOMBLTUMZBMK-VXGBXAGGSA-N -1 3 277.364 3.052 20 0 CGADHM Cc1ccc(C(=O)N(C)[C@@H]2CCC[C@H](C)C2)c([O-])c1 ZINC000042355402 369216002 /nfs/dbraw/zinc/21/60/02/369216002.db2.gz RURMIYCLDPZWON-WCQYABFASA-N -1 3 261.365 3.351 20 0 CGADHM O=C(/C=C/c1cncc([O-])c1)Nc1ccc(C2CCC2)cn1 ZINC000493445526 244164372 /nfs/dbraw/zinc/16/43/72/244164372.db2.gz DROZTQMTMOLVBC-QPJJXVBHSA-N -1 3 295.342 3.102 20 0 CGADHM Cc1cccnc1/C=C/C(=O)Nc1c([O-])cccc1Cl ZINC000493704102 244214056 /nfs/dbraw/zinc/21/40/56/244214056.db2.gz GSWMDPBAWWQJOB-BQYQJAHWSA-N -1 3 288.734 3.401 20 0 CGADHM CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)c1ccccc1[O-] ZINC000276169702 193231769 /nfs/dbraw/zinc/23/17/69/193231769.db2.gz GVJCQQNZIBSCGV-NSHDSACASA-N -1 3 287.281 3.195 20 0 CGADHM O=C([O-])CC[C@@H]1CCCCN1Cc1ccc(F)c(F)c1 ZINC000086755034 370021879 /nfs/dbraw/zinc/02/18/79/370021879.db2.gz KSLZOUQEORZRHF-LBPRGKRZSA-N -1 3 283.318 3.184 20 0 CGADHM C[C@@H](CN(C)Cc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000086807042 370022115 /nfs/dbraw/zinc/02/21/15/370022115.db2.gz DSDQPIPSYWLMEZ-QMMMGPOBSA-N -1 3 276.163 3.146 20 0 CGADHM O=C(/C=C/c1ccnc(Cl)c1)Nc1ccccc1[O-] ZINC000090370651 370060984 /nfs/dbraw/zinc/06/09/84/370060984.db2.gz QHUAKJZBDUKYAH-AATRIKPKSA-N -1 3 274.707 3.093 20 0 CGADHM Cc1ccc(C(=O)N[C@@H](C)Cc2cccs2)c([O-])c1C ZINC000097489743 370244237 /nfs/dbraw/zinc/24/42/37/370244237.db2.gz WMZAQGJWPLCGBF-NSHDSACASA-N -1 3 289.400 3.432 20 0 CGADHM Cc1ccc(NC(=O)CCn2cnc3ccccc32)c([O-])c1 ZINC000109342051 370362050 /nfs/dbraw/zinc/36/20/50/370362050.db2.gz MCNIMWDBXVVCEW-UHFFFAOYSA-N -1 3 295.342 3.079 20 0 CGADHM O=C(Nc1n[n-]c(-c2ccccc2F)n1)C1CCCCC1 ZINC000109625062 370364771 /nfs/dbraw/zinc/36/47/71/370364771.db2.gz CTYNRLRVTRLXFR-UHFFFAOYSA-N -1 3 288.326 3.130 20 0 CGADHM CC(C)(C)[C@@H]1CCN(Cc2cccc([O-])c2Cl)C[C@H]1O ZINC000511971044 245011953 /nfs/dbraw/zinc/01/19/53/245011953.db2.gz FRUQLCQZJWORPN-TZMCWYRMSA-N -1 3 297.826 3.275 20 0 CGADHM Cc1ccc([O-])c(CNCc2cccc(Cl)c2)n1 ZINC000112716202 370445789 /nfs/dbraw/zinc/44/57/89/370445789.db2.gz TUPSBVAPNMMWJI-UHFFFAOYSA-N -1 3 262.740 3.039 20 0 CGADHM COc1ccccc1CN[C@@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000277345080 193627035 /nfs/dbraw/zinc/62/70/35/193627035.db2.gz PDCJTCVMCUJGMS-CXAGYDPISA-N -1 3 299.370 3.247 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2ccc(SC)cn2)c1 ZINC000538743688 288587432 /nfs/dbraw/zinc/58/74/32/288587432.db2.gz BDGXRAKHOAMWAU-UHFFFAOYSA-N -1 3 288.372 3.324 20 0 CGADHM CC(C)[C@H](CNCc1cccc(Cl)c1Cl)C(=O)[O-] ZINC000277450344 193658800 /nfs/dbraw/zinc/65/88/00/193658800.db2.gz UZSDKRZCVYLAJX-JTQLQIEISA-N -1 3 290.190 3.440 20 0 CGADHM COc1ccc(C(=O)N2CCCC[C@@H]2C(C)C)c([O-])c1 ZINC000117200198 370582455 /nfs/dbraw/zinc/58/24/55/370582455.db2.gz RXLRUKSSNKZWLF-CQSZACIVSA-N -1 3 277.364 3.052 20 0 CGADHM [O-]c1ccc(Cc2nc(-c3ccncc3)no2)c(Cl)c1 ZINC000131983521 371144764 /nfs/dbraw/zinc/14/47/64/371144764.db2.gz FUNSQVMIPKTADL-UHFFFAOYSA-N -1 3 287.706 3.081 20 0 CGADHM Cc1ccccc1CCC(=O)NCc1ccc([O-])c(F)c1 ZINC000132739884 371198181 /nfs/dbraw/zinc/19/81/81/371198181.db2.gz MGCBQODKCXIACE-UHFFFAOYSA-N -1 3 287.334 3.089 20 0 CGADHM Cc1cc(C(=O)NCc2ccc([O-])c(F)c2)c(C)s1 ZINC000132936356 371213717 /nfs/dbraw/zinc/21/37/17/371213717.db2.gz IHEGJNLXXAUQEU-UHFFFAOYSA-N -1 3 279.336 3.140 20 0 CGADHM CCc1cc(C(=O)Nc2ccccc2[O-])oc1CC ZINC000134225800 371313098 /nfs/dbraw/zinc/31/30/98/371313098.db2.gz GYQYNIDHEQDSJA-UHFFFAOYSA-N -1 3 259.305 3.362 20 0 CGADHM Cc1ccc(NC(=O)c2cc(C)cc(F)c2)c([O-])c1 ZINC000134794787 371366174 /nfs/dbraw/zinc/36/61/74/371366174.db2.gz IORCGJHLVLAJSD-UHFFFAOYSA-N -1 3 259.280 3.400 20 0 CGADHM O=C(/C=C/c1ccc(F)c(Cl)c1)[N-]OCC(F)(F)F ZINC000135222508 371403308 /nfs/dbraw/zinc/40/33/08/371403308.db2.gz KFEMOJQLBZZKBE-DUXPYHPUSA-N -1 3 297.635 3.102 20 0 CGADHM Cc1nc(C(C)(C)NC(=O)c2ccccc2[O-])sc1C ZINC000135011904 371384271 /nfs/dbraw/zinc/38/42/71/371384271.db2.gz YRXKUHJMXNHJAE-UHFFFAOYSA-N -1 3 290.388 3.131 20 0 CGADHM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2)c(C)c1 ZINC000137692018 371500578 /nfs/dbraw/zinc/50/05/78/371500578.db2.gz HICVLRHYRVZVQQ-UHFFFAOYSA-N -1 3 291.372 3.195 20 0 CGADHM Cc1cscc1NC(=O)c1cc(-c2ccco2)[n-]n1 ZINC000154288817 371833885 /nfs/dbraw/zinc/83/38/85/371833885.db2.gz BKDWIGALBFGSRR-UHFFFAOYSA-N -1 3 273.317 3.292 20 0 CGADHM Cc1cscc1NC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000154288817 371833896 /nfs/dbraw/zinc/83/38/96/371833896.db2.gz BKDWIGALBFGSRR-UHFFFAOYSA-N -1 3 273.317 3.292 20 0 CGADHM CC(C)[C@H](C(=O)Nc1cc(F)ccc1[O-])c1ccncc1 ZINC000344222744 217104968 /nfs/dbraw/zinc/10/49/68/217104968.db2.gz RYEICTOTAQHUPO-HNNXBMFYSA-N -1 3 288.322 3.305 20 0 CGADHM CCCC[C@H](C)N(C)C(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000291201532 372136814 /nfs/dbraw/zinc/13/68/14/372136814.db2.gz JRJFQSZPZCJETE-NSHDSACASA-N -1 3 295.379 3.060 20 0 CGADHM C[C@@H](CCCC(=O)[O-])NCc1ccc(F)cc1Cl ZINC000426659948 372167957 /nfs/dbraw/zinc/16/79/57/372167957.db2.gz KBGHCJUBJIOMGS-VIFPVBQESA-N -1 3 273.735 3.212 20 0 CGADHM Cc1cc(Cl)ccc1NC(=O)[N-]OCC1CC1 ZINC000292780298 372210007 /nfs/dbraw/zinc/21/00/07/372210007.db2.gz LWOSVANWWURBEW-UHFFFAOYSA-N -1 3 254.717 3.112 20 0 CGADHM O=C(c1cccc([O-])c1)N1CCn2c(cc3ccccc32)C1 ZINC000428684982 372251591 /nfs/dbraw/zinc/25/15/91/372251591.db2.gz PWFKMYYWXZRRLC-UHFFFAOYSA-N -1 3 292.338 3.003 20 0 CGADHM CCc1cc(C(=O)NC[C@H]2CCC(F)(F)C2)ccc1[O-] ZINC000292973904 372265605 /nfs/dbraw/zinc/26/56/05/372265605.db2.gz RBBCSXXLMDZZOE-JTQLQIEISA-N -1 3 283.318 3.120 20 0 CGADHM Fc1ccc2c(c1)OCCC[C@H]2[N-]c1nnc(C(F)F)o1 ZINC000292986983 372269533 /nfs/dbraw/zinc/26/95/33/372269533.db2.gz IJCIQICHPLFZOR-SECBINFHSA-N -1 3 299.252 3.472 20 0 CGADHM CC(C)(C)c1n[nH]cc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000293273171 372342985 /nfs/dbraw/zinc/34/29/85/372342985.db2.gz FUOWFKXCWROEQZ-UHFFFAOYSA-N -1 3 293.754 3.319 20 0 CGADHM CC(C)(C)c1[nH]ncc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000293273171 372342991 /nfs/dbraw/zinc/34/29/91/372342991.db2.gz FUOWFKXCWROEQZ-UHFFFAOYSA-N -1 3 293.754 3.319 20 0 CGADHM O=C(Cc1ccc(Cl)c(F)c1)Nc1ccccc1[O-] ZINC000344354925 217165260 /nfs/dbraw/zinc/16/52/60/217165260.db2.gz QHPLVGFCVKEJLD-UHFFFAOYSA-N -1 3 279.698 3.366 20 0 CGADHM C[C@@H]1CCN(Cc2ccc(Cl)cc2F)[C@H](C(=O)[O-])C1 ZINC000162576166 372403147 /nfs/dbraw/zinc/40/31/47/372403147.db2.gz CQCDGVYPUNKKDZ-RNCFNFMXSA-N -1 3 285.746 3.164 20 0 CGADHM Cc1ccc(Cl)c(NC([O-])=NO[C@@H]2CCCCO2)c1 ZINC000162912637 372433298 /nfs/dbraw/zinc/43/32/98/372433298.db2.gz VIEIRCSWFHPWKI-GFCCVEGCSA-N -1 3 284.743 3.228 20 0 CGADHM Cc1ccc(Cl)c(NC(=O)[N-]O[C@@H]2CCCCO2)c1 ZINC000162912637 372433304 /nfs/dbraw/zinc/43/33/04/372433304.db2.gz VIEIRCSWFHPWKI-GFCCVEGCSA-N -1 3 284.743 3.228 20 0 CGADHM CC(C)(C)C(C)(C)[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000431577952 372486690 /nfs/dbraw/zinc/48/66/90/372486690.db2.gz JBGCMDCJVZVPQE-UHFFFAOYSA-N -1 3 291.363 3.068 20 0 CGADHM CC1(C)CN(C(=O)c2ccccc2[O-])[C@H]1c1ccncc1 ZINC000293945389 372532489 /nfs/dbraw/zinc/53/24/89/372532489.db2.gz OQKPNRKSAVJZOK-HNNXBMFYSA-N -1 3 282.343 3.011 20 0 CGADHM Cc1ccoc1CN(C)Cc1c(F)ccc([O-])c1F ZINC000293993116 372549286 /nfs/dbraw/zinc/54/92/86/372549286.db2.gz SFBGGVMFXHADIO-UHFFFAOYSA-N -1 3 267.275 3.204 20 0 CGADHM CC1(C)C[C@H](O)CCN(Cc2cccc([O-])c2Cl)C1 ZINC000295301241 372730352 /nfs/dbraw/zinc/73/03/52/372730352.db2.gz VEHLWAMGWHOVJK-GFCCVEGCSA-N -1 3 283.799 3.029 20 0 CGADHM [O-]c1cccc(CN2CCC3(CCC3)C2)c1Cl ZINC000295335801 372741230 /nfs/dbraw/zinc/74/12/30/372741230.db2.gz MFJGEOFHYDJBDG-UHFFFAOYSA-N -1 3 251.757 3.422 20 0 CGADHM COc1cccc([C@@H](C)CCCC(=O)[N-]OC(C)C)c1 ZINC000295503970 372805079 /nfs/dbraw/zinc/80/50/79/372805079.db2.gz GWSJWNJYCYMBFQ-ZDUSSCGKSA-N -1 3 279.380 3.425 20 0 CGADHM Cc1ccc(C(=O)N2C[C@@H](C)CC[C@@H]2C)c([O-])c1C ZINC000436579516 372838836 /nfs/dbraw/zinc/83/88/36/372838836.db2.gz ZTKHFAGJOQXFJN-JQWIXIFHSA-N -1 3 261.365 3.270 20 0 CGADHM CCCC1(C(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)CCC1 ZINC000353478552 220104389 /nfs/dbraw/zinc/10/43/89/220104389.db2.gz UVCMCDTVKOEMMR-UHFFFAOYSA-N -1 3 288.351 3.282 20 0 CGADHM CCCC1(C(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)CCC1 ZINC000353478552 220104391 /nfs/dbraw/zinc/10/43/91/220104391.db2.gz UVCMCDTVKOEMMR-UHFFFAOYSA-N -1 3 288.351 3.282 20 0 CGADHM CCCC1(C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)CCC1 ZINC000353478552 220104395 /nfs/dbraw/zinc/10/43/95/220104395.db2.gz UVCMCDTVKOEMMR-UHFFFAOYSA-N -1 3 288.351 3.282 20 0 CGADHM c1ccc(-c2nc(S[C@H]3C=CCCC3)n[n-]2)nc1 ZINC000172162686 372916197 /nfs/dbraw/zinc/91/61/97/372916197.db2.gz BRGDAWWBRFEHNM-JTQLQIEISA-N -1 3 258.350 3.068 20 0 CGADHM O=C(NCC1=CCCCC1)c1c[n-]c2ccccc2c1=O ZINC000295833825 372928046 /nfs/dbraw/zinc/92/80/46/372928046.db2.gz QQDARGCWKOXMGK-UHFFFAOYSA-N -1 3 282.343 3.171 20 0 CGADHM Cc1ccc(NC(=O)c2cc3[nH]ccc3s2)c([O-])c1 ZINC000353519378 220132552 /nfs/dbraw/zinc/13/25/52/220132552.db2.gz ZVZJUKSLKSUAPL-UHFFFAOYSA-N -1 3 272.329 3.496 20 0 CGADHM O=[S@](CCCOc1ccc(F)cc1)c1ccc([O-])cc1 ZINC000173153946 373100391 /nfs/dbraw/zinc/10/03/91/373100391.db2.gz HYWHIXAIKRNVJX-HXUWFJFHSA-N -1 3 294.347 3.108 20 0 CGADHM O=[S@@](CCCOc1ccc(F)cc1)c1ccc([O-])cc1 ZINC000173153936 373101141 /nfs/dbraw/zinc/10/11/41/373101141.db2.gz HYWHIXAIKRNVJX-FQEVSTJZSA-N -1 3 294.347 3.108 20 0 CGADHM CC(C)ON=C([O-])Nc1cc(F)ccc1OC(C)C ZINC000296395711 373117995 /nfs/dbraw/zinc/11/79/95/373117995.db2.gz GOQUKHVVNZFBBJ-UHFFFAOYSA-N -1 3 270.304 3.074 20 0 CGADHM CC(C)O[N-]C(=O)Nc1cc(F)ccc1OC(C)C ZINC000296395711 373118003 /nfs/dbraw/zinc/11/80/03/373118003.db2.gz GOQUKHVVNZFBBJ-UHFFFAOYSA-N -1 3 270.304 3.074 20 0 CGADHM Cn1cccc1[C@@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC000173533778 373154361 /nfs/dbraw/zinc/15/43/61/373154361.db2.gz HIJLGCWSUGNEMV-HNNXBMFYSA-N -1 3 284.359 3.098 20 0 CGADHM C[C@@H]1CC[C@@H](N(CCO)Cc2cccc([O-])c2Cl)C1 ZINC000353558104 220156206 /nfs/dbraw/zinc/15/62/06/220156206.db2.gz WHHXTNLFDAUHJQ-DGCLKSJQSA-N -1 3 283.799 3.029 20 0 CGADHM CCc1cc2c([n-]c(COC3CCCC3)nc2=O)s1 ZINC000174446778 373316434 /nfs/dbraw/zinc/31/64/34/373316434.db2.gz MZDRQIJDISQMET-UHFFFAOYSA-N -1 3 278.377 3.006 20 0 CGADHM Cc1cccc(C(=O)N2CCC3(CCCC3)C2)c1[O-] ZINC000174849729 373372375 /nfs/dbraw/zinc/37/23/75/373372375.db2.gz CWYSHYPEOAIGKF-UHFFFAOYSA-N -1 3 259.349 3.107 20 0 CGADHM CC1(NC(=O)c2cc(=O)c3ccccc3[n-]2)CCCCC1 ZINC000299118212 373463612 /nfs/dbraw/zinc/46/36/12/373463612.db2.gz HYZLQIOSBLXVNL-UHFFFAOYSA-N -1 3 284.359 3.393 20 0 CGADHM O=C(Nc1ccc2cc[nH]c2c1)c1cc(-c2ccco2)[n-]n1 ZINC000447643278 373467746 /nfs/dbraw/zinc/46/77/46/373467746.db2.gz LVJBCSAKGOZBKE-UHFFFAOYSA-N -1 3 292.298 3.403 20 0 CGADHM O=C(Nc1ccc2cc[nH]c2c1)c1cc(-c2ccco2)n[n-]1 ZINC000447643278 373467756 /nfs/dbraw/zinc/46/77/56/373467756.db2.gz LVJBCSAKGOZBKE-UHFFFAOYSA-N -1 3 292.298 3.403 20 0 CGADHM CC1CCC(N(C)C(=O)Cc2ccc([O-])c(F)c2)CC1 ZINC000448600564 373622031 /nfs/dbraw/zinc/62/20/31/373622031.db2.gz IHYZWAZNVDIKJY-UHFFFAOYSA-N -1 3 279.355 3.111 20 0 CGADHM C[C@@H]1CCC[C@H](NC(=O)Cc2ccc([O-])c(F)c2)[C@H]1C ZINC000448568114 373602676 /nfs/dbraw/zinc/60/26/76/373602676.db2.gz DMGJNGMBKPFMKX-SUNKGSAMSA-N -1 3 279.355 3.015 20 0 CGADHM [O-]c1cccc(CN2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1Cl ZINC000449470682 373755658 /nfs/dbraw/zinc/75/56/58/373755658.db2.gz NWQXOYPWPZJDCQ-MJBXVCDLSA-N -1 3 295.810 3.171 20 0 CGADHM Cc1cccc([O-])c1NC(=O)[C@@H](C)Sc1ccccn1 ZINC000179566893 373888460 /nfs/dbraw/zinc/88/84/60/373888460.db2.gz BHZZQISAAJOIBO-LLVKDONJSA-N -1 3 288.372 3.215 20 0 CGADHM CCc1[n-][nH]c(=NC(=O)C2=C(C)CC(C)(C)CC2)c1C ZINC000449847541 373943135 /nfs/dbraw/zinc/94/31/35/373943135.db2.gz BECWQPXBAVSIJI-UHFFFAOYSA-N -1 3 275.396 3.168 20 0 CGADHM C[C@H]1CCCC[C@H]1CCNC(=O)Cc1ccc([O-])c(F)c1 ZINC000449863841 373949811 /nfs/dbraw/zinc/94/98/11/373949811.db2.gz JRBNFQAPLJFNGW-JSGCOSHPSA-N -1 3 293.382 3.406 20 0 CGADHM C[C@@H]1CCC[C@H](CCNC(=O)Cc2ccc([O-])c(F)c2)C1 ZINC000449869043 373951971 /nfs/dbraw/zinc/95/19/71/373951971.db2.gz GCLFCFQLKFJPLO-CHWSQXEVSA-N -1 3 293.382 3.406 20 0 CGADHM C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)Cc1ccc([O-])c(F)c1 ZINC000449879433 373956120 /nfs/dbraw/zinc/95/61/20/373956120.db2.gz HIWZEJHTASYHQS-UXIGCNINSA-N -1 3 291.366 3.253 20 0 CGADHM CC(C)c1noc([N-][C@H]2CCCc3c(O)cccc32)n1 ZINC000302662448 373919072 /nfs/dbraw/zinc/91/90/72/373919072.db2.gz FFRZBBDBRQBYHL-LBPRGKRZSA-N -1 3 273.336 3.388 20 0 CGADHM Cc1scc(C(=O)NCc2ccc([O-])c(F)c2)c1C ZINC000180421183 374001532 /nfs/dbraw/zinc/00/15/32/374001532.db2.gz VSXAVGAJDLGGFB-UHFFFAOYSA-N -1 3 279.336 3.140 20 0 CGADHM O=C(c1cccc2nn[n-]c21)N(CC1CC1)c1ccccc1 ZINC000180139918 373969487 /nfs/dbraw/zinc/96/94/87/373969487.db2.gz VMVSILRSLNRINC-UHFFFAOYSA-N -1 3 292.342 3.015 20 0 CGADHM O=C(c1cccc2[n-]nnc21)N(CC1CC1)c1ccccc1 ZINC000180139918 373969497 /nfs/dbraw/zinc/96/94/97/373969497.db2.gz VMVSILRSLNRINC-UHFFFAOYSA-N -1 3 292.342 3.015 20 0 CGADHM O=C(c1cccc2n[n-]nc21)N(CC1CC1)c1ccccc1 ZINC000180139918 373969505 /nfs/dbraw/zinc/96/95/05/373969505.db2.gz VMVSILRSLNRINC-UHFFFAOYSA-N -1 3 292.342 3.015 20 0 CGADHM C[C@@H]1C[C@H]1NC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000303767377 374027491 /nfs/dbraw/zinc/02/74/91/374027491.db2.gz GJWHPVDAVCKUDS-MLGOLLRUSA-N -1 3 297.354 3.109 20 0 CGADHM O=C(N[C@H](Cc1ccccc1)C1CC1)c1ccccc1[O-] ZINC000303850973 374029127 /nfs/dbraw/zinc/02/91/27/374029127.db2.gz NMZNKLTUJLPBTQ-MRXNPFEDSA-N -1 3 281.355 3.143 20 0 CGADHM Cc1cccc(C(=O)N[C@H](Cc2ccccc2)C2CC2)c1[O-] ZINC000303926305 374031484 /nfs/dbraw/zinc/03/14/84/374031484.db2.gz WOVOSCSYUMJTQD-QGZVFWFLSA-N -1 3 295.382 3.452 20 0 CGADHM COCc1ccsc1C(=O)[N-]c1nnc(C(C)C)s1 ZINC000180858582 374052969 /nfs/dbraw/zinc/05/29/69/374052969.db2.gz FPXCHOCRKZAJCR-UHFFFAOYSA-N -1 3 297.405 3.122 20 0 CGADHM O=C(c1cccc([O-])c1)N(Cc1cccc(F)c1)C1CC1 ZINC000181864608 374182947 /nfs/dbraw/zinc/18/29/47/374182947.db2.gz XQXGARPLDGTKIK-UHFFFAOYSA-N -1 3 285.318 3.336 20 0 CGADHM CCOCc1cccc(NC(=O)c2cccc([O-])c2)c1 ZINC000182294672 374254106 /nfs/dbraw/zinc/25/41/06/374254106.db2.gz VXELBKWQBQCVBZ-UHFFFAOYSA-N -1 3 271.316 3.181 20 0 CGADHM C[C@@H]1C[C@H]1c1ccc(/C=C\C(=O)[N-]OCC(F)(F)F)o1 ZINC000312150054 374269015 /nfs/dbraw/zinc/26/90/15/374269015.db2.gz GSLHXFOGYWKQIV-SRIDUCRUSA-N -1 3 289.253 3.026 20 0 CGADHM CN(C)c1ccc(Cl)cc1NC(=O)c1cccc([O-])c1 ZINC000182237393 374243943 /nfs/dbraw/zinc/24/39/43/374243943.db2.gz XUGHFZJXIYMPPA-UHFFFAOYSA-N -1 3 290.750 3.364 20 0 CGADHM Cc1cnc([C@@H](NC(=O)c2cccc([O-])c2)C2CC2)s1 ZINC000182507981 374283263 /nfs/dbraw/zinc/28/32/63/374283263.db2.gz RCJSTXBJPQIOHK-ZDUSSCGKSA-N -1 3 288.372 3.038 20 0 CGADHM CN(CCC1CCCCC1)C(=O)c1cccc2[n-]nnc21 ZINC000182757001 374322867 /nfs/dbraw/zinc/32/28/67/374322867.db2.gz WXVHPRBIFJHWTK-UHFFFAOYSA-N -1 3 286.379 3.000 20 0 CGADHM CN(CCC1CCCCC1)C(=O)c1cccc2nn[n-]c21 ZINC000182757001 374322872 /nfs/dbraw/zinc/32/28/72/374322872.db2.gz WXVHPRBIFJHWTK-UHFFFAOYSA-N -1 3 286.379 3.000 20 0 CGADHM CN(CCC1CCCCC1)C(=O)c1cccc2n[n-]nc21 ZINC000182757001 374322878 /nfs/dbraw/zinc/32/28/78/374322878.db2.gz WXVHPRBIFJHWTK-UHFFFAOYSA-N -1 3 286.379 3.000 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2C[C@@H](C)C[C@H]2c2cccnc2)c1 ZINC000182836031 374334665 /nfs/dbraw/zinc/33/46/65/374334665.db2.gz BYMSHTJTPJXXIM-BBRMVZONSA-N -1 3 296.370 3.319 20 0 CGADHM Cc1ccc(C(=O)N(C)CCc2ccccc2C)c([O-])c1 ZINC000452336371 374342199 /nfs/dbraw/zinc/34/21/99/374342199.db2.gz PWAZFQFOHHKUQU-UHFFFAOYSA-N -1 3 283.371 3.324 20 0 CGADHM C[C@@H]1[C@@H](C)CCN1C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000183026694 374357778 /nfs/dbraw/zinc/35/77/78/374357778.db2.gz QBEXFNQCPPMIBP-NWDGAFQWSA-N -1 3 273.376 3.142 20 0 CGADHM C[C@@H]1CC[C@H](C)N1C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000183150191 374378724 /nfs/dbraw/zinc/37/87/24/374378724.db2.gz SUUAUUOBEDUOPV-TXEJJXNPSA-N -1 3 273.376 3.284 20 0 CGADHM Cc1ccc(C(=O)N2C[C@H](C(C)C)[C@H]2C(C)C)c([O-])c1 ZINC000456358142 374525111 /nfs/dbraw/zinc/52/51/11/374525111.db2.gz YGUDTCLHNGLBRR-GDBMZVCRSA-N -1 3 275.392 3.453 20 0 CGADHM O=C([N-]c1cccc(F)c1F)c1sccc1F ZINC000334183014 206157163 /nfs/dbraw/zinc/15/71/63/206157163.db2.gz FJMFCSANJUAALY-UHFFFAOYSA-N -1 3 257.236 3.418 20 0 CGADHM O=C(/C=C\c1ccc(Cl)s1)[N-]OCC(F)(F)F ZINC000331362758 374526826 /nfs/dbraw/zinc/52/68/26/374526826.db2.gz XGYVAKKRXYQAFD-RQOWECAXSA-N -1 3 285.674 3.025 20 0 CGADHM Cc1cc(C)c2[n-]cc(C(=O)N3C[C@@H](C)C[C@@H]3C)c(=O)c2c1 ZINC000331989102 374547486 /nfs/dbraw/zinc/54/74/86/374547486.db2.gz NQDKGVNZBHLRGU-AAEUAGOBSA-N -1 3 298.386 3.015 20 0 CGADHM C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)c2cccc([O-])c2)C1 ZINC000184763436 374556795 /nfs/dbraw/zinc/55/67/95/374556795.db2.gz YDLCDQBVWIFQKF-WBMJQRKESA-N -1 3 282.343 3.011 20 0 CGADHM CC(=O)c1ccc(C(=O)NC2CCCCCC2)cc1[O-] ZINC000332281897 374564763 /nfs/dbraw/zinc/56/47/63/374564763.db2.gz IIGUYOCMDLTSNS-UHFFFAOYSA-N -1 3 275.348 3.047 20 0 CGADHM CC(C)(C)C(C)(C)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000334204641 206188684 /nfs/dbraw/zinc/18/86/84/206188684.db2.gz WIAGRHKMEHTGON-UHFFFAOYSA-N -1 3 286.375 3.083 20 0 CGADHM Cc1ccc2[n-]cc(C(=O)N3CCC(C)(C)CC3)c(=O)c2c1 ZINC000332496262 374579804 /nfs/dbraw/zinc/57/98/04/374579804.db2.gz BXKQBBGIRYQSRC-UHFFFAOYSA-N -1 3 298.386 3.099 20 0 CGADHM CCC[C@@H](C)N(C)C(=O)c1c[n-]c2c(C)cccc2c1=O ZINC000332699622 374588607 /nfs/dbraw/zinc/58/86/07/374588607.db2.gz IXCZWNALRLVHIS-GFCCVEGCSA-N -1 3 286.375 3.097 20 0 CGADHM CC(C)Sc1ccccc1[N-]S(=O)(=O)C1CC1 ZINC000185626159 374701100 /nfs/dbraw/zinc/70/11/00/374701100.db2.gz XGDSGYJUNKOASZ-UHFFFAOYSA-N -1 3 271.407 3.091 20 0 CGADHM Cc1ccncc1CN(C)C(=O)c1cc([O-])ccc1Cl ZINC000334343712 374671898 /nfs/dbraw/zinc/67/18/98/374671898.db2.gz MQJYOADTOZJJJV-UHFFFAOYSA-N -1 3 290.750 3.021 20 0 CGADHM CSc1cccc(C)c1[N-]C(=O)c1cncs1 ZINC000334362880 374685505 /nfs/dbraw/zinc/68/55/05/374685505.db2.gz DNCQHHZZIGYMOQ-UHFFFAOYSA-N -1 3 264.375 3.426 20 0 CGADHM CCC[C@@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)C1CCC1 ZINC000458305560 374756356 /nfs/dbraw/zinc/75/63/56/374756356.db2.gz LJXLBDJEYYQGFX-CQSZACIVSA-N -1 3 298.386 3.227 20 0 CGADHM CN(CCOc1ccccc1F)Cc1cc([O-])cc(F)c1 ZINC000186167215 374805818 /nfs/dbraw/zinc/80/58/18/374805818.db2.gz UUEYORVSOXUSCT-UHFFFAOYSA-N -1 3 293.313 3.181 20 0 CGADHM O=C([O-])CC1(Nc2ccnc3ccccc32)CCC1 ZINC000094291381 541984265 /nfs/dbraw/zinc/98/42/65/541984265.db2.gz SRZVDGUMXNBQES-UHFFFAOYSA-N -1 3 256.305 3.044 20 0 CGADHM C[C@@H](c1ccccn1)N(C)Cc1cc([O-])cc(F)c1 ZINC000186404661 374845172 /nfs/dbraw/zinc/84/51/72/374845172.db2.gz IKCLEHUHBRXOTA-NSHDSACASA-N -1 3 260.312 3.119 20 0 CGADHM O=C(Nc1ccccc1)c1cn[n-]c1-c1ccsc1 ZINC000186922678 374940181 /nfs/dbraw/zinc/94/01/81/374940181.db2.gz CQLFHGFYINUSTB-UHFFFAOYSA-N -1 3 269.329 3.391 20 0 CGADHM O=C(Nc1ccccc1)c1c[n-]nc1-c1ccsc1 ZINC000186922678 374940184 /nfs/dbraw/zinc/94/01/84/374940184.db2.gz CQLFHGFYINUSTB-UHFFFAOYSA-N -1 3 269.329 3.391 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)N1CCC[C@@H]1c1ccccc1 ZINC000334666065 374953395 /nfs/dbraw/zinc/95/33/95/374953395.db2.gz KTJFRQNTAMJYTF-MRXNPFEDSA-N -1 3 299.345 3.438 20 0 CGADHM COC(=O)c1cnc(SCCCc2ccccc2C)[n-]1 ZINC000187593261 375051961 /nfs/dbraw/zinc/05/19/61/375051961.db2.gz IBJQCIJPXHSIJO-UHFFFAOYSA-N -1 3 290.388 3.230 20 0 CGADHM CCc1ccc(C(=O)N2C[C@@H](C)CC[C@@H]2C)c([O-])c1 ZINC000188127288 375163343 /nfs/dbraw/zinc/16/33/43/375163343.db2.gz IKGMMOUFRYWSAI-RYUDHWBXSA-N -1 3 261.365 3.215 20 0 CGADHM Cc1cc(C)cc(NC(=O)c2n[n-]nc2-c2ccccc2)c1 ZINC000188867318 375284087 /nfs/dbraw/zinc/28/40/87/375284087.db2.gz MWRPRCDSYVMPLZ-UHFFFAOYSA-N -1 3 292.342 3.341 20 0 CGADHM CCc1cc(C(=O)N(C)[C@H]2CC[C@@H](C)C2)ccc1[O-] ZINC000487653171 375264509 /nfs/dbraw/zinc/26/45/09/375264509.db2.gz KEANHUBWUWPOJI-RISCZKNCSA-N -1 3 261.365 3.215 20 0 CGADHM Cc1cccc(C(C)C)c1NC(=O)[N-]OC[C@H]1CCOC1 ZINC000189443499 375390404 /nfs/dbraw/zinc/39/04/04/375390404.db2.gz UDJSUZNZOIYILG-ZDUSSCGKSA-N -1 3 292.379 3.208 20 0 CGADHM Cc1sccc1CC(=O)Nc1cccc([O-])c1F ZINC000335689088 375348296 /nfs/dbraw/zinc/34/82/96/375348296.db2.gz MKHGOSYSHAEASX-UHFFFAOYSA-N -1 3 265.309 3.082 20 0 CGADHM CCc1nc(C)c(C(=O)[N-]c2cc(F)c(F)cc2F)o1 ZINC000335900616 375525477 /nfs/dbraw/zinc/52/54/77/375525477.db2.gz WSTOKSZAUUFIGK-UHFFFAOYSA-N -1 3 284.237 3.215 20 0 CGADHM Cc1cc(C)cc(C(=O)N=c2cc(-c3ccccc3)[n-][nH]2)c1 ZINC000497867478 375614686 /nfs/dbraw/zinc/61/46/86/375614686.db2.gz ATHCEFOHBKRXGD-UHFFFAOYSA-N -1 3 291.354 3.368 20 0 CGADHM CCCCN(Cc1c(F)ccc([O-])c1F)C1CC1 ZINC000507213633 375689095 /nfs/dbraw/zinc/68/90/95/375689095.db2.gz QIPQSTBJJKASNR-UHFFFAOYSA-N -1 3 255.308 3.435 20 0 CGADHM Cc1ccc(NC(=O)c2ncccc2Cl)c([O-])c1 ZINC000336145843 375724430 /nfs/dbraw/zinc/72/44/30/375724430.db2.gz OFXFDMIPDIEWFO-UHFFFAOYSA-N -1 3 262.696 3.001 20 0 CGADHM Cc1cc(C(=O)Nc2ccc(C)c(O)c2C)ccc1[O-] ZINC000336158089 375735559 /nfs/dbraw/zinc/73/55/59/375735559.db2.gz WCEAHSPSNBPBET-UHFFFAOYSA-N -1 3 271.316 3.275 20 0 CGADHM CC(=O)c1cc(NC(=O)c2ccc(C)c([O-])c2)ccc1F ZINC000336166643 375743526 /nfs/dbraw/zinc/74/35/26/375743526.db2.gz ZXRFOSYABNOOSV-UHFFFAOYSA-N -1 3 287.290 3.295 20 0 CGADHM Cc1ccc(-c2cc(C(=O)[N-]c3nccc(C)n3)on2)cc1 ZINC000192546286 375762269 /nfs/dbraw/zinc/76/22/69/375762269.db2.gz SSGMLUDACGXILB-UHFFFAOYSA-N -1 3 294.314 3.001 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N(C)Cc2cc3ccccc3o2)n1 ZINC000192609362 375771713 /nfs/dbraw/zinc/77/17/13/375771713.db2.gz CQNMUWDWRALHSN-LBPRGKRZSA-N -1 3 297.358 3.430 20 0 CGADHM O=C(Nc1ccc([O-])cc1F)C1(c2ccccc2F)CC1 ZINC000336535298 375813596 /nfs/dbraw/zinc/81/35/96/375813596.db2.gz WNXZIJHHAAIAAQ-UHFFFAOYSA-N -1 3 289.281 3.341 20 0 CGADHM COc1cc(C)ccc1NC(=O)c1cc(C)ccc1[O-] ZINC000193423708 375874912 /nfs/dbraw/zinc/87/49/12/375874912.db2.gz HHELWWATYRHNEG-UHFFFAOYSA-N -1 3 271.316 3.270 20 0 CGADHM COC(=O)c1cnc(S[C@@H](C)CCc2ccccc2)[n-]1 ZINC000193545322 375893222 /nfs/dbraw/zinc/89/32/22/375893222.db2.gz MFMUJCRHICYCIC-NSHDSACASA-N -1 3 290.388 3.310 20 0 CGADHM CC[C@@H](CNC(=O)c1ccc(O)cc1[O-])c1ccccc1 ZINC000193673017 375908394 /nfs/dbraw/zinc/90/83/94/375908394.db2.gz OQKFUAZAMHFFOG-LBPRGKRZSA-N -1 3 285.343 3.021 20 0 CGADHM O=C(Nc1ccccc1[O-])c1cnc(-c2cccnc2)s1 ZINC000535624942 376046963 /nfs/dbraw/zinc/04/69/63/376046963.db2.gz QGTADPBAGXEAEO-UHFFFAOYSA-N -1 3 297.339 3.163 20 0 CGADHM CCc1noc(C)c1[N-]C(=O)c1cnc(C2CC2)s1 ZINC000535889162 376071012 /nfs/dbraw/zinc/07/10/12/376071012.db2.gz OXYWEJJTQVHARF-UHFFFAOYSA-N -1 3 277.349 3.132 20 0 CGADHM CCC[C@H]1CCCCN1Cc1cc(C(=O)[O-])c(C)o1 ZINC000213500270 376140582 /nfs/dbraw/zinc/14/05/82/376140582.db2.gz MLUWNGCWLPCKJI-LBPRGKRZSA-N -1 3 265.353 3.441 20 0 CGADHM [O-]c1cc(F)cc(CN[C@@H]2CCc3ccccc32)c1 ZINC000223082980 376246670 /nfs/dbraw/zinc/24/66/70/376246670.db2.gz ATLRMRYVXMBWRK-MRXNPFEDSA-N -1 3 257.308 3.308 20 0 CGADHM O=C(Nc1cc(C(F)(F)F)ccc1[O-])[C@H]1C[C@H]1C(F)F ZINC000338192549 376278450 /nfs/dbraw/zinc/27/84/50/376278450.db2.gz SRCPAZWQGUXGFA-RQJHMYQMSA-N -1 3 295.207 3.251 20 0 CGADHM Cc1ccc2c(CN3CCOC4(CCC4)C3)ccc([O-])c2n1 ZINC000338275853 376306574 /nfs/dbraw/zinc/30/65/74/376306574.db2.gz ACULWDSQLRVNSL-UHFFFAOYSA-N -1 3 298.386 3.004 20 0 CGADHM CCCCn1c(=O)[n-]nc1S[C@@H]1CC[C@H](C)C1 ZINC000338524884 376410522 /nfs/dbraw/zinc/41/05/22/376410522.db2.gz HVHPEIBKPNXLDG-VHSXEESVSA-N -1 3 255.387 3.065 20 0 CGADHM C[C@H](c1ccc(F)cc1F)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000226420405 376358066 /nfs/dbraw/zinc/35/80/66/376358066.db2.gz BTONWKVYBZIYFP-MNOVXSKESA-N -1 3 283.318 3.213 20 0 CGADHM Cc1cc(C(=O)N(C)C2CCC(C)CC2)ccc1[O-] ZINC000226953951 376377506 /nfs/dbraw/zinc/37/75/06/376377506.db2.gz CFUUXUDMVWDOPY-UHFFFAOYSA-N -1 3 261.365 3.351 20 0 CGADHM COC1(c2noc(-c3ccc(C)cc3[O-])n2)CCCC1 ZINC000228232881 376432641 /nfs/dbraw/zinc/43/26/41/376432641.db2.gz KGBYWARVVWYOHN-UHFFFAOYSA-N -1 3 274.320 3.166 20 0 CGADHM C[C@H]1CC[C@H](CNC(=O)c2cc([O-])ccc2Cl)C1 ZINC000230429035 376519636 /nfs/dbraw/zinc/51/96/36/376519636.db2.gz VNADGRIBQVQBTB-UWVGGRQHSA-N -1 3 267.756 3.212 20 0 CGADHM Cc1ccc([C@H](C)[N-]S(=O)(=O)c2sccc2F)cc1 ZINC000338867286 376553472 /nfs/dbraw/zinc/55/34/72/376553472.db2.gz QZSXFDCELXPVFE-JTQLQIEISA-N -1 3 299.392 3.235 20 0 CGADHM COc1cc(NC(=O)c2cc([O-])ccc2Cl)ccc1F ZINC000234942992 376625207 /nfs/dbraw/zinc/62/52/07/376625207.db2.gz AZPIHTYOCIRUDU-UHFFFAOYSA-N -1 3 295.697 3.446 20 0 CGADHM O=C(Nc1ccc(Cl)cc1[O-])c1ccsc1 ZINC000339007094 376627528 /nfs/dbraw/zinc/62/75/28/376627528.db2.gz LTLZXLYWLKIFLD-UHFFFAOYSA-N -1 3 253.710 3.359 20 0 CGADHM Cc1nc(CNC(=O)c2cc([O-])ccc2Cl)sc1C ZINC000334343752 206399933 /nfs/dbraw/zinc/39/99/33/206399933.db2.gz RLPLUCFWVMVSHJ-UHFFFAOYSA-N -1 3 296.779 3.049 20 0 CGADHM O=C([O-])c1cccc(CNCc2ccc(F)c(Cl)c2)c1 ZINC000236486131 376664519 /nfs/dbraw/zinc/66/45/19/376664519.db2.gz AGDFZPBDWQKOJI-UHFFFAOYSA-N -1 3 293.725 3.467 20 0 CGADHM CCc1noc(C)c1[N-]C(=O)c1ccc(C(F)(F)F)cn1 ZINC000339083263 376666338 /nfs/dbraw/zinc/66/63/38/376666338.db2.gz IKYCRNIARLNPEV-UHFFFAOYSA-N -1 3 299.252 3.212 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2ccc(OC(F)F)cc2)n1 ZINC000339114287 376686480 /nfs/dbraw/zinc/68/64/80/376686480.db2.gz BAFMHBMVRAFIAL-QPJJXVBHSA-N -1 3 278.258 3.262 20 0 CGADHM Cc1ccc([O-])c(CNCc2coc3ccccc23)n1 ZINC000339415868 376753981 /nfs/dbraw/zinc/75/39/81/376753981.db2.gz WSJMGCRZSMTELS-UHFFFAOYSA-N -1 3 268.316 3.132 20 0 CGADHM CCc1nc(C)c(C(=O)Nc2ccc(C)cc2[O-])s1 ZINC000340034652 376897520 /nfs/dbraw/zinc/89/75/20/376897520.db2.gz XSUPEDRDQUSLCB-UHFFFAOYSA-N -1 3 276.361 3.280 20 0 CGADHM C[C@@H](C1CC1)N(C)C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000556931845 376905929 /nfs/dbraw/zinc/90/59/29/376905929.db2.gz LITHHIPCGFLXJN-NSHDSACASA-N -1 3 273.376 3.142 20 0 CGADHM CCc1cc(C(=O)NCc2ccc(F)cc2)ccc1[O-] ZINC000557436756 376935524 /nfs/dbraw/zinc/93/55/24/376935524.db2.gz ZIPPPSFSPYSCAH-UHFFFAOYSA-N -1 3 273.307 3.024 20 0 CGADHM CC1=C(C(=O)Nc2ccc(Cl)cc2[O-])CCC1 ZINC000340327727 377003443 /nfs/dbraw/zinc/00/34/43/377003443.db2.gz KXKREBOISBZXJC-UHFFFAOYSA-N -1 3 251.713 3.485 20 0 CGADHM C[C@@H](CC(=O)Nc1cc(F)ccc1[O-])c1cccnc1 ZINC000340332681 377009096 /nfs/dbraw/zinc/00/90/96/377009096.db2.gz YOFHPCAQWJAFSY-JTQLQIEISA-N -1 3 274.295 3.059 20 0 CGADHM CCc1cc(C(=O)Nc2nc3ccccc3[nH]2)ccc1[O-] ZINC000340735037 377241725 /nfs/dbraw/zinc/24/17/25/377241725.db2.gz DOBIMGFJCIQQPT-UHFFFAOYSA-N -1 3 281.315 3.083 20 0 CGADHM CCc1cc(C(=O)NCCc2ccccc2F)ccc1[O-] ZINC000561076520 377204332 /nfs/dbraw/zinc/20/43/32/377204332.db2.gz OMKZZBLGEFWVHQ-UHFFFAOYSA-N -1 3 287.334 3.066 20 0 CGADHM C[C@@H]1CC[C@H](NC(=O)c2cc(=O)c3ccccc3[n-]2)[C@H](C)C1 ZINC000264907092 190143360 /nfs/dbraw/zinc/14/33/60/190143360.db2.gz JCEBEMZKAXOQIM-BZPMIXESSA-N -1 3 298.386 3.495 20 0 CGADHM C[C@@H]1C[C@@H](C(=O)[O-])CN(C/C=C\c2ccc(F)c(F)c2)C1 ZINC000562954357 377375962 /nfs/dbraw/zinc/37/59/62/377375962.db2.gz FHEVWOBPNBNYQB-XFKWNRGUSA-N -1 3 295.329 3.021 20 0 CGADHM [O-]c1cc(F)cc(CN2CCS[C@H]3CCCC[C@H]32)c1 ZINC000248685202 377381632 /nfs/dbraw/zinc/38/16/32/377381632.db2.gz GYAMDSHIRZKABB-CABCVRRESA-N -1 3 281.396 3.391 20 0 CGADHM C[C@@H]1CC[C@@H](C)N1Cc1cc(C(=O)[O-])ccc1Cl ZINC000563283998 377434608 /nfs/dbraw/zinc/43/46/08/377434608.db2.gz QKRLEVMDIGXFMF-NXEZZACHSA-N -1 3 267.756 3.411 20 0 CGADHM C[C@@H]1CCC[C@H](NC(=O)c2cc(=O)c3ccccc3[n-]2)[C@H]1C ZINC000265058051 190155346 /nfs/dbraw/zinc/15/53/46/190155346.db2.gz MOYUUVLPXUIFEB-DYEKYZERSA-N -1 3 298.386 3.495 20 0 CGADHM O=C(c1cccc([O-])c1)N1CCC(Cc2ccccc2)CC1 ZINC000084857726 249012640 /nfs/dbraw/zinc/01/26/40/249012640.db2.gz XRMNHWVDWAOGKC-UHFFFAOYSA-N -1 3 295.382 3.487 20 0 CGADHM [O-]c1ccc(-c2noc(Cc3cccc(F)c3F)n2)cc1 ZINC000094713279 249041761 /nfs/dbraw/zinc/04/17/61/249041761.db2.gz BUUJODBYJZFKIJ-UHFFFAOYSA-N -1 3 288.253 3.311 20 0 CGADHM C[C@]1(C(=O)[O-])CCCN(Cc2ccc(F)c(Cl)c2)C1 ZINC000164534644 542171755 /nfs/dbraw/zinc/17/17/55/542171755.db2.gz SPWROJWNEBPGPA-AWEZNQCLSA-N -1 3 285.746 3.166 20 0 CGADHM [O-]c1cc2c(cc1-c1nc([C@H]3CCCO3)no1)CCCC2 ZINC000274067632 249065586 /nfs/dbraw/zinc/06/55/86/249065586.db2.gz FHDWYYFIFFCSMA-CQSZACIVSA-N -1 3 286.331 3.173 20 0 CGADHM CC[C@@H]1CC[C@H](C)N(C(=O)c2ccc(C)cc2[O-])C1 ZINC000312931648 249082472 /nfs/dbraw/zinc/08/24/72/249082472.db2.gz HEQNZLXUIZWKSB-QWHCGFSZSA-N -1 3 261.365 3.351 20 0 CGADHM O=c1cc(CNc2c(F)cccc2Cl)nc(C2CC2)[n-]1 ZINC000417042031 249125142 /nfs/dbraw/zinc/12/51/42/249125142.db2.gz YEDVGQIVLIGXIX-UHFFFAOYSA-N -1 3 293.729 3.464 20 0 CGADHM C[C@@H]1CC[C@@H](NCc2cccc([O-])c2Br)C1 ZINC000315225333 249098092 /nfs/dbraw/zinc/09/80/92/249098092.db2.gz IUQCXOBBNKBUGF-MWLCHTKSSA-N -1 3 284.197 3.433 20 0 CGADHM CC1(C)C[C@H]1CNCc1cccc([O-])c1Br ZINC000315234654 249098560 /nfs/dbraw/zinc/09/85/60/249098560.db2.gz KPDNWEAMJRVGLC-JTQLQIEISA-N -1 3 284.197 3.290 20 0 CGADHM CO[C@H]1CCCC[C@H]1C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000490822837 249173949 /nfs/dbraw/zinc/17/39/49/249173949.db2.gz RXDMDBYYBSRSMA-YPMHNXCESA-N -1 3 297.782 3.498 20 0 CGADHM CCc1noc(C)c1-c1noc(-c2ccc(C)cc2[O-])n1 ZINC000573787112 377575164 /nfs/dbraw/zinc/57/51/64/377575164.db2.gz CEDBSKNYTAXFNQ-UHFFFAOYSA-N -1 3 285.303 3.276 20 0 CGADHM O=C([O-])c1cc(CN2CCS[C@@H]3CCCC[C@@H]32)cs1 ZINC000514943310 249195477 /nfs/dbraw/zinc/19/54/77/249195477.db2.gz ARYNZUDUUOFUMP-NWDGAFQWSA-N -1 3 297.445 3.306 20 0 CGADHM Cc1cccc(CN(Cc2ccccc2)C[C@@H](C)C(=O)[O-])n1 ZINC000515067093 249200963 /nfs/dbraw/zinc/20/09/63/249200963.db2.gz YXGLGCOWANYESX-CQSZACIVSA-N -1 3 298.386 3.113 20 0 CGADHM CCC1(CC)[C@H](OC)C[C@@H]1N(C)Cc1cc(C(=O)[O-])co1 ZINC000516872631 249246950 /nfs/dbraw/zinc/24/69/50/249246950.db2.gz JGIGKQLENYECFC-UONOGXRCSA-N -1 3 295.379 3.003 20 0 CGADHM C[C@@H]1CC[C@H](C(=O)[O-])CN1C/C=C\c1ccc(F)cc1F ZINC000515494865 249213900 /nfs/dbraw/zinc/21/39/00/249213900.db2.gz RPWOFYGHZPBIGQ-FIFDWTMUSA-N -1 3 295.329 3.163 20 0 CGADHM CCC[C@@H](CC)S(=O)(=O)[N-]c1ccccc1OCC ZINC000573784107 377575963 /nfs/dbraw/zinc/57/59/63/377575963.db2.gz KWPYJCZXCPCZEV-GFCCVEGCSA-N -1 3 285.409 3.406 20 0 CGADHM C[C@@H]1CCC[C@@H](NC(=O)c2c[n-]nc2-c2ccccn2)[C@@H]1C ZINC000517211092 249259717 /nfs/dbraw/zinc/25/97/17/249259717.db2.gz JKIWTKSDEJRMDO-YRGRVCCFSA-N -1 3 298.390 3.026 20 0 CGADHM Cc1cccc(C2(C(=O)NCc3ccc([O-])c(F)c3)CC2)c1 ZINC000265817808 190210017 /nfs/dbraw/zinc/21/00/17/190210017.db2.gz RIPDHNYCJPVKCF-UHFFFAOYSA-N -1 3 299.345 3.188 20 0 CGADHM CCc1ccc(C(C)(C)NCc2ncccc2[O-])cc1 ZINC000574724690 377698458 /nfs/dbraw/zinc/69/84/58/377698458.db2.gz GCWUDGLJYWVUDT-UHFFFAOYSA-N -1 3 270.376 3.375 20 0 CGADHM O=C(/C=C\c1cccc(F)c1)NCc1ccc([O-])c(F)c1 ZINC000254965396 377719634 /nfs/dbraw/zinc/71/96/34/377719634.db2.gz JLBNTEXWGNJXGE-ALCCZGGFSA-N -1 3 289.281 3.000 20 0 CGADHM Cc1ccc(NC(=O)/C=C\c2ccnc(Cl)c2)c([O-])c1 ZINC000255605910 377770076 /nfs/dbraw/zinc/77/00/76/377770076.db2.gz BFGJCJPGWWAXQJ-HYXAFXHYSA-N -1 3 288.734 3.401 20 0 CGADHM CCc1ccc(NC(=O)/C=C\c2cncc([O-])c2)cc1 ZINC000255695720 377775248 /nfs/dbraw/zinc/77/52/48/377775248.db2.gz KZUWGSYVDAGQCW-YVMONPNESA-N -1 3 268.316 3.002 20 0 CGADHM CCc1ccc([C@@H](C)NC(=O)c2cccc3nn[n-]c32)cc1 ZINC000182670644 542225159 /nfs/dbraw/zinc/22/51/59/542225159.db2.gz WPSCREOMEOGGQU-LLVKDONJSA-N -1 3 294.358 3.011 20 0 CGADHM CCc1ccc([C@@H](C)NC(=O)c2cccc3[n-]nnc32)cc1 ZINC000182670644 542225161 /nfs/dbraw/zinc/22/51/61/542225161.db2.gz WPSCREOMEOGGQU-LLVKDONJSA-N -1 3 294.358 3.011 20 0 CGADHM CCc1ccc([C@@H](C)NC(=O)c2cccc3n[n-]nc32)cc1 ZINC000182670644 542225163 /nfs/dbraw/zinc/22/51/63/542225163.db2.gz WPSCREOMEOGGQU-LLVKDONJSA-N -1 3 294.358 3.011 20 0 CGADHM CN(CCC(=O)[O-])Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000263391571 377930549 /nfs/dbraw/zinc/93/05/49/377930549.db2.gz FKGJURPDHSEBST-UHFFFAOYSA-N -1 3 295.688 3.265 20 0 CGADHM CCc1cc(N2CC[C@](C)(C(=O)[O-])C2)c2ccccc2n1 ZINC000263398966 377932507 /nfs/dbraw/zinc/93/25/07/377932507.db2.gz IIQZBDFVCUKSNY-KRWDZBQOSA-N -1 3 284.359 3.098 20 0 CGADHM O=C([O-])[C@H]1CCCN(Cc2c(Cl)oc3ccccc32)C1 ZINC000263400548 377932843 /nfs/dbraw/zinc/93/28/43/377932843.db2.gz HVAKQRJGMABOFP-JTQLQIEISA-N -1 3 293.750 3.383 20 0 CGADHM C[C@@H]1C[C@@H](C(=O)[O-])CN(C/C=C/c2ccc(F)c(F)c2)C1 ZINC000263022300 377914041 /nfs/dbraw/zinc/91/40/41/377914041.db2.gz FHEVWOBPNBNYQB-FTYDKLPRSA-N -1 3 295.329 3.021 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CC[C@@H](c3ccccc3F)C2)c1 ZINC000264455322 377986673 /nfs/dbraw/zinc/98/66/73/377986673.db2.gz PHYXXENOKJXXOO-CYBMUJFWSA-N -1 3 299.345 3.469 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2ccc(Br)cc2)n1 ZINC000577941045 378024998 /nfs/dbraw/zinc/02/49/98/378024998.db2.gz YHZIBGIKEOPIBW-DAXSKMNVSA-N -1 3 291.148 3.424 20 0 CGADHM CCCC[C@H](CCC)CNC(=O)Cc1cncc([O-])c1 ZINC000578905356 378111943 /nfs/dbraw/zinc/11/19/43/378111943.db2.gz BYXIGWWCZSDBJK-ZDUSSCGKSA-N -1 3 278.396 3.052 20 0 CGADHM C[C@H]1CCCN1[C@@H](C(=O)[O-])c1cccc(Br)c1 ZINC000579720708 378186878 /nfs/dbraw/zinc/18/68/78/378186878.db2.gz RLZGABGFQHVDLG-JOYOIKCWSA-N -1 3 298.180 3.059 20 0 CGADHM Cc1oc([C@H](C)N2C[C@H](C)C[C@@H](C)C2)cc1C(=O)[O-] ZINC000579720573 378187175 /nfs/dbraw/zinc/18/71/75/378187175.db2.gz PUXNCGDLCPDRBP-MXWKQRLJSA-N -1 3 265.353 3.325 20 0 CGADHM CCCCO[C@H](C)C(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000345126540 378199911 /nfs/dbraw/zinc/19/99/11/378199911.db2.gz HQIOXTDATKTHEE-CHWSQXEVSA-N -1 3 291.391 3.438 20 0 CGADHM Cc1oc(C2CC2)nc1C(=O)[N-]c1nnc(C(C)C)s1 ZINC000579504761 378167705 /nfs/dbraw/zinc/16/77/05/378167705.db2.gz QTFRGIUEQVJVGO-UHFFFAOYSA-N -1 3 292.364 3.088 20 0 CGADHM O=C([O-])c1cccc(CN2CC[C@H](Oc3ccccc3)C2)c1 ZINC000579591380 378173622 /nfs/dbraw/zinc/17/36/22/378173622.db2.gz MZQARMIZLLKFET-KRWDZBQOSA-N -1 3 297.354 3.038 20 0 CGADHM CC1(C)CC(CC(=O)N2CCCc3cccc([O-])c32)C1 ZINC000344573390 378174744 /nfs/dbraw/zinc/17/47/44/378174744.db2.gz YSFVFQMVSQODQE-UHFFFAOYSA-N -1 3 273.376 3.498 20 0 CGADHM Cc1cccc(C)c1[C@@H](C)NCc1ncccc1[O-] ZINC000579645957 378180137 /nfs/dbraw/zinc/18/01/37/378180137.db2.gz LCXUCAKEKWRWJI-CYBMUJFWSA-N -1 3 256.349 3.255 20 0 CGADHM CCc1cc2c([nH]c(-c3cc([O-])cc(F)c3)nc2=O)s1 ZINC000345204379 378222250 /nfs/dbraw/zinc/22/22/50/378222250.db2.gz NDRVJUGSNLADJU-UHFFFAOYSA-N -1 3 290.319 3.471 20 0 CGADHM O=C([O-])c1ccccc1CCN1CCc2cc(F)ccc2C1 ZINC000580319452 378241841 /nfs/dbraw/zinc/24/18/41/378241841.db2.gz LXUJLGHGLDKHKA-UHFFFAOYSA-N -1 3 299.345 3.125 20 0 CGADHM CC1=CCN(C(=O)c2ccc(C(C)C)cc2[O-])CC1 ZINC000270079841 378305000 /nfs/dbraw/zinc/30/50/00/378305000.db2.gz DPZLWSNVQRPNPN-UHFFFAOYSA-N -1 3 259.349 3.308 20 0 CGADHM C[C@H]1Cc2cc(F)ccc2[C@H](C)N1CC1(CC(=O)[O-])CC1 ZINC000583570263 378332137 /nfs/dbraw/zinc/33/21/37/378332137.db2.gz JLWMOTPUFXWSHM-RYUDHWBXSA-N -1 3 291.366 3.388 20 0 CGADHM COc1ccccc1[C@H]1CCCN1Cc1ncccc1[O-] ZINC000584437121 378384800 /nfs/dbraw/zinc/38/48/00/378384800.db2.gz SOOXQNQINVKOCY-OAHLLOKOSA-N -1 3 284.359 3.133 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2cccc(Cl)c2F)n1 ZINC000345999310 378435481 /nfs/dbraw/zinc/43/54/81/378435481.db2.gz VHCMGQJWXGFSCE-UHFFFAOYSA-N -1 3 280.686 3.140 20 0 CGADHM C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)c1c([O-])cccc1O ZINC000271423767 378491913 /nfs/dbraw/zinc/49/19/13/378491913.db2.gz ZUVHGSSUHIIEOM-TZMCWYRMSA-N -1 3 297.354 3.116 20 0 CGADHM Cc1ccc([O-])c(CN(C)Cc2cc(F)c(F)c(F)c2)n1 ZINC000272183973 378580162 /nfs/dbraw/zinc/58/01/62/378580162.db2.gz ZYCHKFBEHLZXEI-UHFFFAOYSA-N -1 3 296.292 3.145 20 0 CGADHM CC[C@@H](NC(=O)Cc1ccc([O-])cc1Cl)C(F)(F)F ZINC000348072113 378778077 /nfs/dbraw/zinc/77/80/77/378778077.db2.gz LTKYDCPNGFHDID-SNVBAGLBSA-N -1 3 295.688 3.045 20 0 CGADHM Cc1ccc(C(=O)N2CC3(C2)CCCCC3)c([O-])c1C ZINC000273802458 378759131 /nfs/dbraw/zinc/75/91/31/378759131.db2.gz XGDSVRDVFVWNJY-UHFFFAOYSA-N -1 3 273.376 3.415 20 0 CGADHM Cc1ncc(CN[C@@H](C)c2ccc(Cl)s2)c(=O)[n-]1 ZINC000346805838 218020349 /nfs/dbraw/zinc/02/03/49/218020349.db2.gz JBFXOCDPTZTWDW-ZETCQYMHSA-N -1 3 283.784 3.056 20 0 CGADHM COc1cc(C)cc(NC([O-])=NOC2CCCC2)c1C ZINC000278638650 194079924 /nfs/dbraw/zinc/07/99/24/194079924.db2.gz LMIXUVISMGIZGR-UHFFFAOYSA-N -1 3 278.352 3.308 20 0 CGADHM COc1cc(C)cc(NC(=O)[N-]OC2CCCC2)c1C ZINC000278638650 194079925 /nfs/dbraw/zinc/07/99/25/194079925.db2.gz LMIXUVISMGIZGR-UHFFFAOYSA-N -1 3 278.352 3.308 20 0 CGADHM CC[C@@H](NC(=O)c1csc(=O)[n-]1)c1cc(F)ccc1F ZINC000348901640 379106365 /nfs/dbraw/zinc/10/63/65/379106365.db2.gz RLYOTJOMFFSCQI-SNVBAGLBSA-N -1 3 298.314 3.008 20 0 CGADHM Cc1cc(C(=O)[N-]c2cc3c(cc2Cl)CCC3=O)on1 ZINC000191819226 542262636 /nfs/dbraw/zinc/26/26/36/542262636.db2.gz ADQFWSKFOZUJHL-UHFFFAOYSA-N -1 3 290.706 3.018 20 0 CGADHM Cc1cc(C)c(CN[C@@H](C(=O)[O-])c2ccc(O)cc2)cc1C ZINC000277423826 379155399 /nfs/dbraw/zinc/15/53/99/379155399.db2.gz TTYAKURPBNLCLO-QGZVFWFLSA-N -1 3 299.370 3.233 20 0 CGADHM CCSCC[C@H](C)NC(=O)c1cc([O-])ccc1Cl ZINC000277721000 379222467 /nfs/dbraw/zinc/22/24/67/379222467.db2.gz PLNVYPYHCFXRQX-VIFPVBQESA-N -1 3 287.812 3.307 20 0 CGADHM CCOc1cc(-c2noc([C@H]3CCCCO3)n2)ccc1[O-] ZINC000277750356 379229389 /nfs/dbraw/zinc/22/93/89/379229389.db2.gz AUHMLZDTWAACHB-GFCCVEGCSA-N -1 3 290.319 3.083 20 0 CGADHM CCOc1cc(-c2noc(C3CCC3)n2)ccc1[O-] ZINC000278205951 379317844 /nfs/dbraw/zinc/31/78/44/379317844.db2.gz YSYBFDLXKJCYBP-UHFFFAOYSA-N -1 3 260.293 3.108 20 0 CGADHM C[C@@H]([N-]C(=O)C(F)F)c1ccc(OCC(F)(F)F)cc1 ZINC000278396080 379373285 /nfs/dbraw/zinc/37/32/85/379373285.db2.gz FGQLYFJRGBHOGP-SSDOTTSWSA-N -1 3 297.223 3.070 20 0 CGADHM O=C(CC1(C(F)(F)F)CC1)Nc1ccccc1[O-] ZINC000349705126 379351516 /nfs/dbraw/zinc/35/15/16/379351516.db2.gz YPHLFBMVRMCQOS-UHFFFAOYSA-N -1 3 259.227 3.063 20 0 CGADHM Cc1ccc(C=Cc2nc(-c3ccc4n[n-]nc4c3)no2)o1 ZINC000350474213 379548565 /nfs/dbraw/zinc/54/85/65/379548565.db2.gz CNPIPGTUFAHIDY-FNORWQNLSA-N -1 3 293.286 3.080 20 0 CGADHM [O-]c1ccc(Cc2nc(-c3cscn3)no2)c(Cl)c1 ZINC000350545192 379557200 /nfs/dbraw/zinc/55/72/00/379557200.db2.gz PDKZDUUNYCIVKW-UHFFFAOYSA-N -1 3 293.735 3.143 20 0 CGADHM COc1cc(-c2noc(-c3occc3C)n2)ccc1[O-] ZINC000350575372 379563994 /nfs/dbraw/zinc/56/39/94/379563994.db2.gz HXDUYXPAEKDLCF-UHFFFAOYSA-N -1 3 272.260 3.019 20 0 CGADHM CSCCO[N-]C(=O)c1c(Cl)cc(F)cc1Cl ZINC000280118999 379613531 /nfs/dbraw/zinc/61/35/31/379613531.db2.gz VOQGCSMGOQCEBA-UHFFFAOYSA-N -1 3 298.166 3.157 20 0 CGADHM CCc1cccc(-c2nc(-c3ccncc3OC)no2)c1[O-] ZINC000350942302 379619327 /nfs/dbraw/zinc/61/93/27/379619327.db2.gz PUMRAIOVPKNZMB-UHFFFAOYSA-N -1 3 297.314 3.075 20 0 CGADHM CCc1ccc(C(=O)Nc2cn(C)nc2C(C)C)c([O-])c1 ZINC000280300959 379670954 /nfs/dbraw/zinc/67/09/54/379670954.db2.gz VTUYTRHSFDLXON-UHFFFAOYSA-N -1 3 287.363 3.064 20 0 CGADHM CCC[C@@H](NC(=O)c1cccc([O-])c1)[C@H](O)c1ccccc1 ZINC000280532310 379726048 /nfs/dbraw/zinc/72/60/48/379726048.db2.gz JSHOWSTXGJAHDP-IAGOWNOFSA-N -1 3 299.370 3.024 20 0 CGADHM CC(C)OCC(=O)Nc1cc(Cc2ccccc2)ccc1[O-] ZINC000267261885 190315495 /nfs/dbraw/zinc/31/54/95/190315495.db2.gz XINJILJNEACUTC-UHFFFAOYSA-N -1 3 299.370 3.347 20 0 CGADHM Cc1nc(CC(C)C)c(C(=O)[N-]c2conc2C)s1 ZINC000640484139 379809678 /nfs/dbraw/zinc/80/96/78/379809678.db2.gz TXTDJRKFPMTRIJ-UHFFFAOYSA-N -1 3 279.365 3.199 20 0 CGADHM Cc1nc(C)c(CCNCc2c(F)ccc([O-])c2F)s1 ZINC000352489916 379836272 /nfs/dbraw/zinc/83/62/72/379836272.db2.gz DYZUONMFCVCMHC-UHFFFAOYSA-N -1 3 298.358 3.076 20 0 CGADHM Cc1cc(C)n([C@H](C)CC(=O)Nc2c(C)cccc2[O-])n1 ZINC000352653168 379894761 /nfs/dbraw/zinc/89/47/61/379894761.db2.gz RQPNRVCSAVLENX-CYBMUJFWSA-N -1 3 287.363 3.104 20 0 CGADHM Cc1c(NCc2c(F)ccc([O-])c2F)cnn1CC(C)C ZINC000352737542 379932236 /nfs/dbraw/zinc/93/22/36/379932236.db2.gz PVPLAKQYSXPTPZ-UHFFFAOYSA-N -1 3 295.333 3.443 20 0 CGADHM O=C([O-])[C@@H]1CC12CCN([C@H]1C=CCCCCC1)CC2 ZINC000405331199 379984927 /nfs/dbraw/zinc/98/49/27/379984927.db2.gz CAIWZXMETRVRIH-KBPBESRZSA-N -1 3 263.381 3.062 20 0 CGADHM [O-]c1ccc(F)c(CNC[C@@H]2CCCCS2)c1F ZINC000352855767 380007423 /nfs/dbraw/zinc/00/74/23/380007423.db2.gz ZOILWJJPBNNHSK-VIFPVBQESA-N -1 3 273.348 3.046 20 0 CGADHM Cc1c2occ([O-])c2ccc1OCc1cnc(C2CC2)o1 ZINC000641736298 380069813 /nfs/dbraw/zinc/06/98/13/380069813.db2.gz DGASNFAENUQEGL-UHFFFAOYSA-N -1 3 285.299 3.015 20 0 CGADHM C[C@@H](NCc1cc([O-])cc(F)c1)c1c(F)cncc1F ZINC000353134944 380132938 /nfs/dbraw/zinc/13/29/38/380132938.db2.gz IJSJDBCOMURBNX-MRVPVSSYSA-N -1 3 282.265 3.055 20 0 CGADHM C(=Cc1nc(-c2ccc3n[n-]nc3c2)no1)c1cccs1 ZINC000643895148 380392271 /nfs/dbraw/zinc/39/22/71/380392271.db2.gz PEECDGQUXDZFBB-XQRVVYSFSA-N -1 3 295.327 3.240 20 0 CGADHM CC[C@@H](N[C@@H](C)c1nc(C)cc(=O)[n-]1)c1ccccc1 ZINC000279064086 194268013 /nfs/dbraw/zinc/26/80/13/194268013.db2.gz JARORMRAGWVIIZ-GXTWGEPZSA-N -1 3 271.364 3.293 20 0 CGADHM Cc1cc(C(=O)NCc2cc3ccccc3[nH]2)ccc1[O-] ZINC000354359623 380413001 /nfs/dbraw/zinc/41/30/01/380413001.db2.gz FSSLLPBYMDASMQ-UHFFFAOYSA-N -1 3 280.327 3.112 20 0 CGADHM CCCCn1cc(C(=O)Nc2ccc([O-])cc2F)c(C)n1 ZINC000354595330 380499106 /nfs/dbraw/zinc/49/91/06/380499106.db2.gz LDDPWICBXAOFLI-UHFFFAOYSA-N -1 3 291.326 3.089 20 0 CGADHM CSc1ccncc1[N-]C(=O)c1oc(C(C)C)nc1C ZINC000644668572 380475073 /nfs/dbraw/zinc/47/50/73/380475073.db2.gz DEMZUPPBQQONCZ-UHFFFAOYSA-N -1 3 291.376 3.476 20 0 CGADHM Cc1cccc([O-])c1NC(=O)COc1ccsc1Cl ZINC000354556842 380483251 /nfs/dbraw/zinc/48/32/51/380483251.db2.gz DEYUPSCSKQSSSV-UHFFFAOYSA-N -1 3 297.763 3.433 20 0 CGADHM CSc1nnc(NC(=O)c2ccc(C(C)(C)C)cc2)[n-]1 ZINC000354761006 380551920 /nfs/dbraw/zinc/55/19/20/380551920.db2.gz KRHWKIUOCCYPOT-UHFFFAOYSA-N -1 3 290.392 3.076 20 0 CGADHM CSc1n[n-]c(NC(=O)c2ccc(C(C)(C)C)cc2)n1 ZINC000354761006 380551926 /nfs/dbraw/zinc/55/19/26/380551926.db2.gz KRHWKIUOCCYPOT-UHFFFAOYSA-N -1 3 290.392 3.076 20 0 CGADHM CSc1nc(NC(=O)c2ccc(C(C)(C)C)cc2)n[n-]1 ZINC000354761006 380551929 /nfs/dbraw/zinc/55/19/29/380551929.db2.gz KRHWKIUOCCYPOT-UHFFFAOYSA-N -1 3 290.392 3.076 20 0 CGADHM O=C([O-])C1(NCc2csc(Cl)c2Cl)CCC1 ZINC000417571758 380641913 /nfs/dbraw/zinc/64/19/13/380641913.db2.gz UGWMOILPYNXHTK-UHFFFAOYSA-N -1 3 280.176 3.152 20 0 CGADHM CC(C)c1cnc(CN[C@@H]2CCCC[C@]2(C)C(=O)[O-])s1 ZINC000417572758 380642037 /nfs/dbraw/zinc/64/20/37/380642037.db2.gz GMJNLCRKWAFNTL-DOMZBBRYSA-N -1 3 296.436 3.390 20 0 CGADHM CCc1cccc(Cl)c1CN[C@@H](CC(F)F)C(=O)[O-] ZINC000417589047 380645522 /nfs/dbraw/zinc/64/55/22/380645522.db2.gz GCROZODULYOUOY-NSHDSACASA-N -1 3 291.725 3.100 20 0 CGADHM [O-]c1cccnc1CNCc1c(Cl)oc2ccccc21 ZINC000355333394 380647264 /nfs/dbraw/zinc/64/72/64/380647264.db2.gz KOMAJRWGIXGILX-UHFFFAOYSA-N -1 3 288.734 3.477 20 0 CGADHM CCCc1csc(CN[C@@H]2CCCC[C@@H]2CC(=O)[O-])n1 ZINC000417666144 380663668 /nfs/dbraw/zinc/66/36/68/380663668.db2.gz FIUIGMFZVVJJLY-DGCLKSJQSA-N -1 3 296.436 3.219 20 0 CGADHM CCOc1c(Cl)cccc1CNCC[C@@H](CC)C(=O)[O-] ZINC000417673132 380665129 /nfs/dbraw/zinc/66/51/29/380665129.db2.gz VSUOCMFXRDGZEQ-LLVKDONJSA-N -1 3 299.798 3.329 20 0 CGADHM C[C@@H](NCc1c(Cl)oc2ccccc21)[C@@H](C)C(=O)[O-] ZINC000417609358 380650143 /nfs/dbraw/zinc/65/01/43/380650143.db2.gz KLFMIGTYDXBQAS-RKDXNWHRSA-N -1 3 281.739 3.285 20 0 CGADHM CC(C)=CCSC[C@H](NCc1ccc(F)cc1)C(=O)[O-] ZINC000417626671 380656590 /nfs/dbraw/zinc/65/65/90/380656590.db2.gz ONEVIIDIZPADHQ-AWEZNQCLSA-N -1 3 297.395 3.068 20 0 CGADHM Cc1cc(CN[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)cs1 ZINC000417634236 380659578 /nfs/dbraw/zinc/65/95/78/380659578.db2.gz VFLALHTVZPEPOW-LSDHHAIUSA-N -1 3 287.384 3.459 20 0 CGADHM CC[C@H]1CCCC[C@@H]1C(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000355605055 380725434 /nfs/dbraw/zinc/72/54/34/380725434.db2.gz JCCXBAGKDVHTQT-QWRGUYRKSA-N -1 3 288.351 3.220 20 0 CGADHM CC[C@H]1CCCC[C@@H]1C(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000355605055 380725439 /nfs/dbraw/zinc/72/54/39/380725439.db2.gz JCCXBAGKDVHTQT-QWRGUYRKSA-N -1 3 288.351 3.220 20 0 CGADHM CC[C@H]1CCCC[C@@H]1C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000355605055 380725441 /nfs/dbraw/zinc/72/54/41/380725441.db2.gz JCCXBAGKDVHTQT-QWRGUYRKSA-N -1 3 288.351 3.220 20 0 CGADHM Cc1cc(C(=O)N2CC(C)(CC(F)(F)F)C2)ccc1[O-] ZINC000334768942 207045571 /nfs/dbraw/zinc/04/55/71/207045571.db2.gz WUVYURVMWFURIY-UHFFFAOYSA-N -1 3 287.281 3.115 20 0 CGADHM O=C([O-])NCC1(NCc2ccccc2Cl)CCCC1 ZINC000740613758 572447971 /nfs/dbraw/zinc/44/79/71/572447971.db2.gz WAFZAAHLTIFVNL-UHFFFAOYSA-N -1 3 282.771 3.010 20 0 CGADHM [O-]c1cccc(CN2CCC[C@H](CCO)CC2)c1Cl ZINC000421393898 380943821 /nfs/dbraw/zinc/94/38/21/380943821.db2.gz FKMSNQKSVFUYLF-LBPRGKRZSA-N -1 3 283.799 3.030 20 0 CGADHM CN(CCC1CCCCC1)C(=O)c1cccc([O-])c1 ZINC000357441611 381158597 /nfs/dbraw/zinc/15/85/97/381158597.db2.gz JUDFEFLTXLTLSI-UHFFFAOYSA-N -1 3 261.365 3.435 20 0 CGADHM O=C(c1ccccc1[O-])N1CC[C@H](c2ccccc2F)C1 ZINC000334816314 207126186 /nfs/dbraw/zinc/12/61/86/207126186.db2.gz QOIRPHQQDHBUCC-LBPRGKRZSA-N -1 3 285.318 3.161 20 0 CGADHM CC[C@H]1CCCN1C(=O)c1c[n-]c2c(C)cc(C)cc2c1=O ZINC000361397535 381731047 /nfs/dbraw/zinc/73/10/47/381731047.db2.gz MKTOWVBROZNRIJ-ZDUSSCGKSA-N -1 3 298.386 3.160 20 0 CGADHM Cc1cc(C(=O)N(C)Cc2ccsc2)ccc1[O-] ZINC000226714692 542291728 /nfs/dbraw/zinc/29/17/28/542291728.db2.gz SREYSVVZVCBFBA-UHFFFAOYSA-N -1 3 261.346 3.034 20 0 CGADHM O=C([O-])CCCNCc1ccc(-c2cccc(F)c2F)o1 ZINC000362346254 381950083 /nfs/dbraw/zinc/95/00/83/381950083.db2.gz KMIDIAPIDWQXFH-UHFFFAOYSA-N -1 3 295.285 3.179 20 0 CGADHM CCc1cc(C(=O)N2C[C@H](C)CC[C@H]2C)ccc1[O-] ZINC000362866751 382133749 /nfs/dbraw/zinc/13/37/49/382133749.db2.gz HASWHFPFCDVDFT-VXGBXAGGSA-N -1 3 261.365 3.215 20 0 CGADHM CCC[C@@H](C)[C@@H]1CCCN1Cc1nc(CC)cc(=O)[n-]1 ZINC000362968392 382167742 /nfs/dbraw/zinc/16/77/42/382167742.db2.gz YSRHHRFRDBWFSI-OCCSQVGLSA-N -1 3 277.412 3.145 20 0 CGADHM Cc1ccc(CN2CCCC[C@H]2CC(=O)[O-])c(Cl)c1 ZINC000235873182 542313889 /nfs/dbraw/zinc/31/38/89/542313889.db2.gz UOLNDWNBBGNOFP-ZDUSSCGKSA-N -1 3 281.783 3.478 20 0 CGADHM C[C@H]1CC2(CCC2)CN1C(=O)c1cc([O-])ccc1Cl ZINC000368216103 382368866 /nfs/dbraw/zinc/36/88/66/382368866.db2.gz QHOGZSHBBZVPIC-JTQLQIEISA-N -1 3 279.767 3.450 20 0 CGADHM Cc1ccc(C(=O)N2CC3(C2)CCCC3)c([O-])c1C ZINC000335122702 207720286 /nfs/dbraw/zinc/72/02/86/207720286.db2.gz AVPIOZNJNTWXDL-UHFFFAOYSA-N -1 3 259.349 3.025 20 0 CGADHM CSCCON=C([O-])Nc1ccc2occ(C)c2c1 ZINC000281093269 195100937 /nfs/dbraw/zinc/10/09/37/195100937.db2.gz RUCGTFYRFWRJOK-UHFFFAOYSA-N -1 3 280.349 3.157 20 0 CGADHM CSCCO[N-]C(=O)Nc1ccc2occ(C)c2c1 ZINC000281093269 195100938 /nfs/dbraw/zinc/10/09/38/195100938.db2.gz RUCGTFYRFWRJOK-UHFFFAOYSA-N -1 3 280.349 3.157 20 0 CGADHM CC1(C)C(CNC(=O)NCc2ccc([O-])c(F)c2)C1(C)C ZINC000353785669 220329024 /nfs/dbraw/zinc/32/90/24/220329024.db2.gz DYTQMERKLRVJNZ-UHFFFAOYSA-N -1 3 294.370 3.013 20 0 CGADHM O=C(c1cc([O-])c2ccccc2c1)N1C[C@@H]2CCC[C@@H]2C1 ZINC000280208577 542381290 /nfs/dbraw/zinc/38/12/90/542381290.db2.gz FMQPZKQFMSSTEL-OKILXGFUSA-N -1 3 281.355 3.418 20 0 CGADHM C[C@@H](c1cccc(Cl)c1)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000302514555 572517727 /nfs/dbraw/zinc/51/77/27/572517727.db2.gz NRVOEJNKZNEJJU-SUNKGSAMSA-N -1 3 281.783 3.444 20 0 CGADHM COc1ccc([O-])c(C(=O)N(C)C2CCC(F)(F)CC2)c1 ZINC000288368295 197059718 /nfs/dbraw/zinc/05/97/18/197059718.db2.gz URCCJVQTAGOMBF-UHFFFAOYSA-N -1 3 299.317 3.051 20 0 CGADHM CC(C)CCN(C)C(=O)c1cc([O-])ccc1Cl ZINC000300112323 542411717 /nfs/dbraw/zinc/41/17/17/542411717.db2.gz ZPQDJMRLZZLKCX-UHFFFAOYSA-N -1 3 255.745 3.164 20 0 CGADHM CC(C)(C)CCCN1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000312151368 542432780 /nfs/dbraw/zinc/43/27/80/542432780.db2.gz AZEPMNAYOYIWBG-OAHLLOKOSA-N -1 3 275.392 3.497 20 0 CGADHM CC1(C)C[C@H](NC(=O)c2cc([O-])c3ccccc3c2)CCO1 ZINC000336013849 542473961 /nfs/dbraw/zinc/47/39/61/542473961.db2.gz PYTNQPHWGPOFOU-CQSZACIVSA-N -1 3 299.370 3.233 20 0 CGADHM C[C@H]1CC[C@H]1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000343953515 542502297 /nfs/dbraw/zinc/50/22/97/542502297.db2.gz KJSVCPAJYPZFQH-IINYFYTJSA-N -1 3 255.317 3.074 20 0 CGADHM CC[C@@H]1CCN(C(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000350116209 542530668 /nfs/dbraw/zinc/53/06/68/542530668.db2.gz OKCURGGZDNQPLC-GFCCVEGCSA-N -1 3 269.344 3.418 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2cscc2Br)n1 ZINC000352040616 542552261 /nfs/dbraw/zinc/55/22/61/542552261.db2.gz QFVUIOKNWPDPMB-IHWYPQMZSA-N -1 3 297.177 3.485 20 0 CGADHM COc1ccc(C(=O)N[C@H]2c3ccccc3C[C@@H]2C)c([O-])c1 ZINC000436544714 533344979 /nfs/dbraw/zinc/34/49/79/533344979.db2.gz KFWCWRAYGSJGJO-APPDUMDISA-N -1 3 297.354 3.064 20 0 CGADHM CO[C@@H]1CCC[C@H]1CNC(=O)c1ccc(C(C)C)cc1[O-] ZINC000436624218 533390503 /nfs/dbraw/zinc/39/05/03/533390503.db2.gz AXQVUJBUHJPZFC-XJKSGUPXSA-N -1 3 291.391 3.061 20 0 CGADHM COc1cccc(C(=O)NC2(C(F)F)CCCCC2)c1[O-] ZINC000436854939 533405405 /nfs/dbraw/zinc/40/54/05/533405405.db2.gz HXEDRNRGSRJGJK-UHFFFAOYSA-N -1 3 299.317 3.099 20 0 CGADHM COc1cccc(C(=O)NCC[C@@H]2CCCC[C@H]2C)c1[O-] ZINC000436643737 533407955 /nfs/dbraw/zinc/40/79/55/533407955.db2.gz FYGSIPJQXVHZHC-OLZOCXBDSA-N -1 3 291.391 3.347 20 0 CGADHM Cc1ccc(C(=O)Nc2cccc(C3CC3)n2)c([O-])c1 ZINC000437002861 533612807 /nfs/dbraw/zinc/61/28/07/533612807.db2.gz QRPCBFTUXKBJKQ-UHFFFAOYSA-N -1 3 268.316 3.225 20 0 CGADHM O=C([O-])C1CCN(Cc2ccccc2C(F)(F)F)CC1 ZINC000003747643 391919223 /nfs/dbraw/zinc/91/92/23/391919223.db2.gz VPADRSNEDIEFTG-UHFFFAOYSA-N -1 3 287.281 3.002 20 0 CGADHM Cc1ccc2oc(C(=O)Nc3ncccc3[O-])cc2c1 ZINC000048723459 392011023 /nfs/dbraw/zinc/01/10/23/392011023.db2.gz BOEQOEAHVGMFLW-UHFFFAOYSA-N -1 3 268.272 3.094 20 0 CGADHM CCOCC1(C(=O)Nc2cc(Cl)cc(C)c2[O-])CC1 ZINC000281951729 392263338 /nfs/dbraw/zinc/26/33/38/392263338.db2.gz MDPHQZCBDKMDTQ-UHFFFAOYSA-N -1 3 283.755 3.109 20 0 CGADHM Cc1ccc2c(c1)CCN(Cc1cc([O-])cc(F)c1)C2 ZINC000361731946 392305616 /nfs/dbraw/zinc/30/56/16/392305616.db2.gz IIRWYDLWXALTQC-UHFFFAOYSA-N -1 3 271.335 3.398 20 0 CGADHM COc1ccc(NC(=O)C[C@@H](C)CC(C)C)c([O-])c1 ZINC000443558252 542667033 /nfs/dbraw/zinc/66/70/33/542667033.db2.gz LIZMXJXBQSQHRU-NSHDSACASA-N -1 3 265.353 3.412 20 0 CGADHM O=C(NC[C@@H]1C[C@H]1C1CC1)c1cc([O-])c2ccccc2c1 ZINC000456868255 542689146 /nfs/dbraw/zinc/68/91/46/542689146.db2.gz KYZYPVYFDSIADB-HOCLYGCPSA-N -1 3 281.355 3.321 20 0 CGADHM CCc1cc(C(=O)N([C@@H](C)C2CC2)C2CC2)ccc1[O-] ZINC000291528995 392464051 /nfs/dbraw/zinc/46/40/51/392464051.db2.gz STEDTQWPDHIZKY-NSHDSACASA-N -1 3 273.376 3.358 20 0 CGADHM CCSc1cccc(CNCc2nc(C)ccc2[O-])c1 ZINC000291782842 392480497 /nfs/dbraw/zinc/48/04/97/392480497.db2.gz VDWHGMYZVRVWJO-UHFFFAOYSA-N -1 3 288.416 3.497 20 0 CGADHM CC1(C)CN(C(=O)Cc2ccc([O-])cc2Cl)[C@@H]1C1CC1 ZINC000368252515 392488515 /nfs/dbraw/zinc/48/85/15/392488515.db2.gz MKZBALMRHJNBLU-OAHLLOKOSA-N -1 3 293.794 3.235 20 0 CGADHM CCc1ccc(C(=O)N2CC(C)(C)[C@H]2C2CC2)c([O-])c1 ZINC000291815005 392488640 /nfs/dbraw/zinc/48/86/40/392488640.db2.gz BXMCQHIIUSWZQK-OAHLLOKOSA-N -1 3 273.376 3.215 20 0 CGADHM Cc1cc(CN(C)C(=O)c2cc([O-])c3ccccc3c2)no1 ZINC000471701611 542702212 /nfs/dbraw/zinc/70/22/12/542702212.db2.gz IZSGVOUKEFIONN-UHFFFAOYSA-N -1 3 296.326 3.114 20 0 CGADHM C[C@H]1CCSCCN1C(=O)c1cc([O-])ccc1Cl ZINC000290379285 300025471 /nfs/dbraw/zinc/02/54/71/300025471.db2.gz IIPVSWZKPJEGQM-VIFPVBQESA-N -1 3 285.796 3.013 20 0 CGADHM CC[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(C)cc2F)C1 ZINC000303898153 392627447 /nfs/dbraw/zinc/62/74/47/392627447.db2.gz SLKPYYIFOPMZTI-OLZOCXBDSA-N -1 3 299.411 3.381 20 0 CGADHM CC[C@H](NCc1ccc(-c2ccccc2F)o1)C(=O)[O-] ZINC000647466592 392728481 /nfs/dbraw/zinc/72/84/81/392728481.db2.gz NPSOLPQLLOLTBV-ZDUSSCGKSA-N -1 3 277.295 3.039 20 0 CGADHM CC1(C(=O)[O-])CCN(Cc2cnc(C3CCC3)s2)CC1 ZINC000647464562 392728823 /nfs/dbraw/zinc/72/88/23/392728823.db2.gz ZKDMHGKLCIVRBZ-UHFFFAOYSA-N -1 3 294.420 3.097 20 0 CGADHM Cc1ccc(C(=O)N2CCC[C@@H]2c2nccs2)c([O-])c1 ZINC000375073753 392735202 /nfs/dbraw/zinc/73/52/02/392735202.db2.gz IPOOHTYDCYYEEV-GFCCVEGCSA-N -1 3 288.372 3.134 20 0 CGADHM Cc1cccc(OCCNCc2c(F)ccc([O-])c2F)c1 ZINC000509605254 392761183 /nfs/dbraw/zinc/76/11/83/392761183.db2.gz YCGYPAMAVJRPFI-UHFFFAOYSA-N -1 3 293.313 3.147 20 0 CGADHM CC[C@](C)(OC)C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000506255960 392717390 /nfs/dbraw/zinc/71/73/90/392717390.db2.gz VFLZWHBRIOFFJR-INIZCTEOSA-N -1 3 279.380 3.443 20 0 CGADHM CC(C)c1cc(C(=O)N2CCCCN2)c([O-])c(C(C)C)c1 ZINC000647694002 392785681 /nfs/dbraw/zinc/78/56/81/392785681.db2.gz BUJDXENJYWHMLZ-UHFFFAOYSA-N -1 3 290.407 3.380 20 0 CGADHM O=C(Nc1[nH][n-]c2cc(=O)ccc1-2)c1ccc2[nH]ccc2c1 ZINC000647803624 392805271 /nfs/dbraw/zinc/80/52/71/392805271.db2.gz VNNKHVLLJBXGTI-UHFFFAOYSA-N -1 3 292.298 3.002 20 0 CGADHM CCCC(O)(CCC)CNCc1c(F)ccc([O-])c1F ZINC000511209893 392832514 /nfs/dbraw/zinc/83/25/14/392832514.db2.gz QSNWVGLRMXZHCY-UHFFFAOYSA-N -1 3 287.350 3.091 20 0 CGADHM CC(C)c1nnc([N-]C(=O)c2csc(C3CC3)n2)s1 ZINC000194794925 392937953 /nfs/dbraw/zinc/93/79/53/392937953.db2.gz ZHGJKBANUFYTRY-UHFFFAOYSA-N -1 3 294.405 3.248 20 0 CGADHM CC(C)CN(C(=O)c1ccc(O)cc1[O-])C1CCCC1 ZINC000221011436 393004028 /nfs/dbraw/zinc/00/40/28/393004028.db2.gz ZAQUEYLJGKMTKL-UHFFFAOYSA-N -1 3 277.364 3.139 20 0 CGADHM CCCCN(CCCC)C(=O)c1ccc(O)cc1[O-] ZINC000221104294 393006645 /nfs/dbraw/zinc/00/66/45/393006645.db2.gz BTHRYXGUABWWRX-UHFFFAOYSA-N -1 3 265.353 3.140 20 0 CGADHM COc1ccc(NC(=O)[C@@H]2CC3CCC2CC3)c([O-])c1 ZINC000349209469 393141431 /nfs/dbraw/zinc/14/14/31/393141431.db2.gz PTLZYLHGDSDHAX-GCZXYKMCSA-N -1 3 275.348 3.166 20 0 CGADHM CCC[N-]S(=O)(=O)c1oc2ccc(Cl)cc2c1C ZINC000470562135 393249313 /nfs/dbraw/zinc/24/93/13/393249313.db2.gz DOORRXSFBPTTKM-UHFFFAOYSA-N -1 3 287.768 3.083 20 0 CGADHM C[C@@H]1CCN(C(=O)c2cncs2)c2c([O-])cccc21 ZINC000274422973 393284772 /nfs/dbraw/zinc/28/47/72/393284772.db2.gz YKFPUBQBXIRCPN-SECBINFHSA-N -1 3 274.345 3.003 20 0 CGADHM CCC(CC)NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000646584094 393306152 /nfs/dbraw/zinc/30/61/52/393306152.db2.gz YATNGQWPVDTVOU-UHFFFAOYSA-N -1 3 275.270 3.329 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000649228925 393376324 /nfs/dbraw/zinc/37/63/24/393376324.db2.gz FWWJKPNWLIBFCI-NQBHXWOUSA-N -1 3 277.412 3.274 20 0 CGADHM CC[C@@H]1CCCC[C@@H]1C(=O)N=c1[nH][n-]c(C(C)C)c1C ZINC000649229960 393378068 /nfs/dbraw/zinc/37/80/68/393378068.db2.gz UKUBUICAUWTHSX-OLZOCXBDSA-N -1 3 277.412 3.418 20 0 CGADHM Cc1ccc2nccc(N3CC[C@@H](C(=O)[O-])[C@@H](C)C3)c2c1 ZINC000649404295 393413183 /nfs/dbraw/zinc/41/31/83/393413183.db2.gz GBUNMVLHOZHXET-QWHCGFSZSA-N -1 3 284.359 3.090 20 0 CGADHM CC(F)(F)CC(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000430336386 393563080 /nfs/dbraw/zinc/56/30/80/393563080.db2.gz YNTYCYWPVXVCTO-UHFFFAOYSA-N -1 3 299.195 3.275 20 0 CGADHM CC[C@H](CS(=O)(=O)[N-]c1cccc(C2CCC2)c1)OC ZINC000421162832 393592687 /nfs/dbraw/zinc/59/26/87/393592687.db2.gz GNPTTWUJELNOFA-OAHLLOKOSA-N -1 3 297.420 3.121 20 0 CGADHM CCCCN(C(=O)/C=C\c1cncc([O-])c1)[C@@H](C)CC ZINC000492440522 393735028 /nfs/dbraw/zinc/73/50/28/393735028.db2.gz MCZFJOBWFSSJPD-WSROAFLRSA-N -1 3 276.380 3.228 20 0 CGADHM Cc1ccncc1/C=C/C(=O)Nc1c(C)cccc1[O-] ZINC000492526062 393748743 /nfs/dbraw/zinc/74/87/43/393748743.db2.gz AERGINHCOWFLBF-VOTSOKGWSA-N -1 3 268.316 3.056 20 0 CGADHM O=C(/C=C/c1ccc2ccccc2n1)[N-]OC1CCCC1 ZINC000492365250 393724365 /nfs/dbraw/zinc/72/43/65/393724365.db2.gz KUMOERJGWFQRNN-VAWYXSNFSA-N -1 3 282.343 3.238 20 0 CGADHM Cc1cc(C(=O)N[C@@H]2C[C@@H]2Cc2ccccc2)ccc1[O-] ZINC000500603671 393834160 /nfs/dbraw/zinc/83/41/60/393834160.db2.gz DESSBBJPCJDFSN-JKSUJKDBSA-N -1 3 281.355 3.062 20 0 CGADHM Cc1cc(C(=O)Nc2cc(CC(C)(C)C)[nH]n2)ccc1[O-] ZINC000498528110 393782801 /nfs/dbraw/zinc/78/28/01/393782801.db2.gz SVRWWALAMKEZJP-UHFFFAOYSA-N -1 3 287.363 3.265 20 0 CGADHM Cc1cc(C(=O)NC2(c3cccc(F)c3)CC2)ccc1[O-] ZINC000499873119 393809525 /nfs/dbraw/zinc/80/95/25/393809525.db2.gz LXMDUVFCNFRBKV-UHFFFAOYSA-N -1 3 285.318 3.259 20 0 CGADHM Cc1cccc(-c2nc(-c3cnn(C(C)(C)C)c3)no2)c1[O-] ZINC000445640778 393813234 /nfs/dbraw/zinc/81/32/34/393813234.db2.gz RBZCOOJTCQELHY-UHFFFAOYSA-N -1 3 298.346 3.369 20 0 CGADHM CCC(C)(CC)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000500033817 393814074 /nfs/dbraw/zinc/81/40/74/393814074.db2.gz GBMPCBOTWXURNZ-UHFFFAOYSA-N -1 3 293.791 3.336 20 0 CGADHM CC[C@@H](c1ccc(F)cc1F)N1CC[C@](C)(C(=O)[O-])C1 ZINC000449082593 393874750 /nfs/dbraw/zinc/87/47/50/393874750.db2.gz OKSIXTAJRKOWAG-ZFWWWQNUSA-N -1 3 283.318 3.213 20 0 CGADHM CC[C@@]1(C)CCCN(C(=O)Cc2ccc([O-])c(F)c2)C1 ZINC000449996172 393958086 /nfs/dbraw/zinc/95/80/86/393958086.db2.gz ZJCBTRLLFZCIDP-INIZCTEOSA-N -1 3 279.355 3.113 20 0 CGADHM CCC[C@@H]1CCCN(C(=O)Cc2ccc([O-])c(F)c2)C1 ZINC000450104200 393978960 /nfs/dbraw/zinc/97/89/60/393978960.db2.gz LGUNKZGMOJXPQY-GFCCVEGCSA-N -1 3 279.355 3.113 20 0 CGADHM O=C(CCc1ccc2ccccc2c1[O-])N1CC[C@H]1C1CC1 ZINC000452487944 394070283 /nfs/dbraw/zinc/07/02/83/394070283.db2.gz NNTMBQJSFMYHKD-KRWDZBQOSA-N -1 3 295.382 3.489 20 0 CGADHM C[C@H](NC(=O)c1cc([O-])ccc1C(F)(F)F)C(C)(F)F ZINC000452842861 394128475 /nfs/dbraw/zinc/12/84/75/394128475.db2.gz DWRGUGORCQGBNG-LURJTMIESA-N -1 3 297.223 3.185 20 0 CGADHM Cc1ccc(C(=O)N2CCC[C@H]3CCC[C@@H]32)c([O-])c1 ZINC000087777685 292054307 /nfs/dbraw/zinc/05/43/07/292054307.db2.gz AQPUGQMRMMRJOZ-OCCSQVGLSA-N -1 3 259.349 3.105 20 0 CGADHM O=C([N-]c1ncc(Cl)s1)c1nc2cccnc2s1 ZINC000669906449 543132744 /nfs/dbraw/zinc/13/27/44/543132744.db2.gz LPDDAARIARBMFL-UHFFFAOYSA-N -1 3 296.764 3.054 20 0 CGADHM CSc1ccncc1[N-]C(=O)c1cc(C(C)=O)cs1 ZINC000674257265 543277913 /nfs/dbraw/zinc/27/79/13/543277913.db2.gz WBGJLGFTIVXUBE-UHFFFAOYSA-N -1 3 292.385 3.320 20 0 CGADHM [O-]c1cccc(CN[C@@H]2CCC(F)(F)C2)c1Cl ZINC000393264722 397693329 /nfs/dbraw/zinc/69/33/29/397693329.db2.gz NLWKSULRZXEESS-SECBINFHSA-N -1 3 261.699 3.323 20 0 CGADHM Cc1cc(Cl)cc(CN2CCC(C)(C(=O)[O-])CC2)c1 ZINC000395089203 397696553 /nfs/dbraw/zinc/69/65/53/397696553.db2.gz APJLUNWBXAKSGR-UHFFFAOYSA-N -1 3 281.783 3.335 20 0 CGADHM CCc1cccc(C(=O)N2CC[C@H](c3ccco3)C2)c1[O-] ZINC000674361347 543283596 /nfs/dbraw/zinc/28/35/96/543283596.db2.gz JXEAYTITNYSYMJ-ZDUSSCGKSA-N -1 3 285.343 3.177 20 0 CGADHM Cc1ccc(C(=O)NCC(C)(C)[C@H]2CCCCO2)c([O-])c1 ZINC000675220325 543322239 /nfs/dbraw/zinc/32/22/39/543322239.db2.gz KKULQCUHOJCVOT-OAHLLOKOSA-N -1 3 291.391 3.026 20 0 CGADHM Cc1ccc(C(=O)N2CC(CC(F)(F)F)C2)c([O-])c1C ZINC000675415075 543338271 /nfs/dbraw/zinc/33/82/71/543338271.db2.gz MGPCUNLTWSWRON-UHFFFAOYSA-N -1 3 287.281 3.033 20 0 CGADHM O=C([N-]c1cnoc1)c1ccc(-c2ccco2)s1 ZINC000675774337 543363506 /nfs/dbraw/zinc/36/35/06/543363506.db2.gz FZEDWLIVVRWZHS-UHFFFAOYSA-N -1 3 260.274 3.248 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CCc3ccc(F)cc3C2)c1 ZINC000676397817 543395406 /nfs/dbraw/zinc/39/54/06/543395406.db2.gz QHOVOUXKPCDOQB-UHFFFAOYSA-N -1 3 299.345 3.292 20 0 CGADHM O=C([N-]c1nc(-c2cccc(F)c2)cs1)c1cnco1 ZINC000677570361 543455031 /nfs/dbraw/zinc/45/50/31/543455031.db2.gz DCNPHLNSUOTCFS-UHFFFAOYSA-N -1 3 289.291 3.190 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CC[C@H]2c2cccc(F)c2)c1 ZINC000678313679 543514217 /nfs/dbraw/zinc/51/42/17/543514217.db2.gz BYUBMEFBAGIJOK-HNNXBMFYSA-N -1 3 285.318 3.427 20 0 CGADHM O=C(Nc1ncccc1[O-])[C@H]1CCc2c1cccc2Cl ZINC000678937856 543574563 /nfs/dbraw/zinc/57/45/63/543574563.db2.gz XMNPIOUYRWLZNN-NSHDSACASA-N -1 3 288.734 3.109 20 0 CGADHM COc1cccc(C(=O)N(C)[C@H]2CCCC[C@@H]2C)c1[O-] ZINC000055482072 286945573 /nfs/dbraw/zinc/94/55/73/286945573.db2.gz WOVYZPXFDDEBEG-AAEUAGOBSA-N -1 3 277.364 3.052 20 0 CGADHM Cc1cc(S(=O)(=O)[N-]c2ccccc2F)cc(C)c1F ZINC000078234708 287046162 /nfs/dbraw/zinc/04/61/62/287046162.db2.gz KPVVSTMCSYNXDM-UHFFFAOYSA-N -1 3 297.326 3.382 20 0 CGADHM Cc1ccccc1CCC(=O)Nc1ccc([O-])cc1F ZINC000070333278 165058814 /nfs/dbraw/zinc/05/88/14/165058814.db2.gz SCGVDFRQOPXPBV-UHFFFAOYSA-N -1 3 273.307 3.411 20 0 CGADHM Cc1ccc([O-])c(CNc2cccc(OC(F)F)c2)n1 ZINC000078779982 165136067 /nfs/dbraw/zinc/13/60/67/165136067.db2.gz LKBNYZBWZOERLO-UHFFFAOYSA-N -1 3 280.274 3.309 20 0 CGADHM C[C@H](Cc1ccccc1)C(=O)Nc1ccccc1[O-] ZINC000080446855 165155209 /nfs/dbraw/zinc/15/52/09/165155209.db2.gz HXFYDMYMHHMPAH-GFCCVEGCSA-N -1 3 255.317 3.210 20 0 CGADHM O=C(NCCc1cc2ccccc2o1)c1cccc([O-])c1 ZINC000170215276 165504818 /nfs/dbraw/zinc/50/48/18/165504818.db2.gz FFHRNKGYCAOHDM-UHFFFAOYSA-N -1 3 281.311 3.111 20 0 CGADHM CCc1nc([C@H](C)NC(=O)c2ccc(C)cc2[O-])cs1 ZINC000110503815 287131710 /nfs/dbraw/zinc/13/17/10/287131710.db2.gz XPDOYARHFNXJCA-JTQLQIEISA-N -1 3 290.388 3.211 20 0 CGADHM O=C(c1cccc([O-])c1)N1CCC[C@@]2(CC=CCC2)C1 ZINC000182449125 165704371 /nfs/dbraw/zinc/70/43/71/165704371.db2.gz MRBHDGQMYYHNQI-KRWDZBQOSA-N -1 3 271.360 3.355 20 0 CGADHM Cc1ccccc1S(=O)(=O)[N-]c1ccc2c(c1)CCC2 ZINC000112333767 287140265 /nfs/dbraw/zinc/14/02/65/287140265.db2.gz VVOXYECNCYLANT-UHFFFAOYSA-N -1 3 287.384 3.285 20 0 CGADHM Cc1ncc(/C=C/C(=O)Nc2ccc(C)cc2[O-])s1 ZINC000112404606 287141040 /nfs/dbraw/zinc/14/10/40/287141040.db2.gz SEUUSKFJGLICQJ-GQCTYLIASA-N -1 3 274.345 3.117 20 0 CGADHM Cc1ccc(C(=O)Nc2ccccc2N(C)C)c([O-])c1 ZINC000121375868 287197442 /nfs/dbraw/zinc/19/74/42/287197442.db2.gz VKTMXIJFUNXADW-UHFFFAOYSA-N -1 3 270.332 3.019 20 0 CGADHM [O-]c1cccc(/C=C/c2nc(-c3ccccn3)no2)c1 ZINC000122507433 287210377 /nfs/dbraw/zinc/21/03/77/287210377.db2.gz TZMZWWXCWDJUCA-BQYQJAHWSA-N -1 3 265.272 3.008 20 0 CGADHM Cc1ccc(NC(=O)COc2ccccc2C)c([O-])c1 ZINC000008378859 170333708 /nfs/dbraw/zinc/33/37/08/170333708.db2.gz PBKJZXCTQRZHCI-UHFFFAOYSA-N -1 3 271.316 3.027 20 0 CGADHM Cc1ccc(NC(=O)c2cccc(C)c2[O-])cc1F ZINC000020549272 171246420 /nfs/dbraw/zinc/24/64/20/171246420.db2.gz OCXRBQRJUYCZQC-UHFFFAOYSA-N -1 3 259.280 3.400 20 0 CGADHM O=C([O-])C1CCC(NCc2c(F)cccc2Cl)CC1 ZINC000037561985 173272312 /nfs/dbraw/zinc/27/23/12/173272312.db2.gz FNPGAOHWDOKGIS-UHFFFAOYSA-N -1 3 285.746 3.212 20 0 CGADHM CC(C)CO[N-]C(=O)Nc1ccccc1Br ZINC000039793154 174173461 /nfs/dbraw/zinc/17/34/61/174173461.db2.gz QMCXPYGIRNEWRT-UHFFFAOYSA-N -1 3 287.157 3.158 20 0 CGADHM CC(C)C[C@H](Nc1ccnc2ccccc21)C(=O)[O-] ZINC000043441686 175045988 /nfs/dbraw/zinc/04/59/88/175045988.db2.gz IYUNUVDQRTVHTD-AWEZNQCLSA-N -1 3 258.321 3.146 20 0 CGADHM [O-]c1ccc(CNCc2cccs2)cc1Cl ZINC000043477223 175055083 /nfs/dbraw/zinc/05/50/83/175055083.db2.gz KHQJBQZRPKQECB-UHFFFAOYSA-N -1 3 253.754 3.397 20 0 CGADHM O=C([O-])CC[C@@H]1CCCN(Cc2cccc(Cl)c2)C1 ZINC000043585433 175071053 /nfs/dbraw/zinc/07/10/53/175071053.db2.gz YGQPSVUFRBZMSZ-LBPRGKRZSA-N -1 3 281.783 3.417 20 0 CGADHM Cc1csc([N-]C(=O)c2c(F)cc(F)cc2F)n1 ZINC000128823250 287318856 /nfs/dbraw/zinc/31/88/56/287318856.db2.gz OPDOYGDHRQSUOL-UHFFFAOYSA-N -1 3 272.251 3.121 20 0 CGADHM CCCC(O)(CCC)CC(=O)Nc1cccc([O-])c1F ZINC000128904151 287320432 /nfs/dbraw/zinc/32/04/32/287320432.db2.gz XYWFSHVUPUDPTP-UHFFFAOYSA-N -1 3 283.343 3.191 20 0 CGADHM C[C@H](Sc1ccccn1)C(=O)Nc1cccc([O-])c1F ZINC000128899227 287320463 /nfs/dbraw/zinc/32/04/63/287320463.db2.gz XULSBJBQBZCJKP-VIFPVBQESA-N -1 3 292.335 3.046 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])c1nc2ccccc2s1 ZINC000129869310 287340106 /nfs/dbraw/zinc/34/01/06/287340106.db2.gz QPDMKHLINALPEI-UHFFFAOYSA-N -1 3 288.303 3.393 20 0 CGADHM Cc1cc(C(=O)N2CC[C@H]2c2cccc(F)c2)ccc1[O-] ZINC000679410601 543636310 /nfs/dbraw/zinc/63/63/10/543636310.db2.gz JLDLFCWPMWEAJS-HNNXBMFYSA-N -1 3 285.318 3.427 20 0 CGADHM COc1cccc(C(=O)N2CCC[C@@H]2CC(C)(C)C)c1[O-] ZINC000130194298 287346983 /nfs/dbraw/zinc/34/69/83/287346983.db2.gz QXTBGFWZKBCKBG-GFCCVEGCSA-N -1 3 291.391 3.442 20 0 CGADHM COCc1ccsc1C(=O)[N-]c1cnccc1SC ZINC000679313784 543616842 /nfs/dbraw/zinc/61/68/42/543616842.db2.gz XIIXVFVTBIOQCT-UHFFFAOYSA-N -1 3 294.401 3.264 20 0 CGADHM CCc1cc(NC(=O)CCCc2ccc([O-])c(F)c2)no1 ZINC000682505184 543849534 /nfs/dbraw/zinc/84/95/34/543849534.db2.gz UTALYXZRDJXTRR-UHFFFAOYSA-N -1 3 292.310 3.043 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)[C@@H](C)C2CCOCC2)c1[O-] ZINC000131826014 287390386 /nfs/dbraw/zinc/39/03/86/287390386.db2.gz SLBHVBIFVZWVGK-JTQLQIEISA-N -1 3 297.782 3.355 20 0 CGADHM CCOc1cc(-c2noc([C@@H]3CC34CCC4)n2)ccc1[O-] ZINC000683589646 543927942 /nfs/dbraw/zinc/92/79/42/543927942.db2.gz YOMPVEWLWNLVPE-NSHDSACASA-N -1 3 286.331 3.499 20 0 CGADHM O=C([N-]c1cc(-c2ccccc2F)on1)c1nccs1 ZINC000684154022 543969614 /nfs/dbraw/zinc/96/96/14/543969614.db2.gz UVNMDXXLSGPSOP-UHFFFAOYSA-N -1 3 289.291 3.190 20 0 CGADHM CCOc1nc2cc(C(=O)N(C)CCC(C)C)ccc2[n-]1 ZINC000684190316 543971237 /nfs/dbraw/zinc/97/12/37/543971237.db2.gz FPHJNGDUQFPETM-UHFFFAOYSA-N -1 3 289.379 3.080 20 0 CGADHM CCOc1nc2ccc(C(=O)N(C)CCC(C)C)cc2[n-]1 ZINC000684190316 543971238 /nfs/dbraw/zinc/97/12/38/543971238.db2.gz FPHJNGDUQFPETM-UHFFFAOYSA-N -1 3 289.379 3.080 20 0 CGADHM O=C([N-]c1ccc(-c2ccco2)cc1F)c1cnco1 ZINC000683887445 543950034 /nfs/dbraw/zinc/95/00/34/543950034.db2.gz PXPOLGCKIXJDOB-UHFFFAOYSA-N -1 3 272.235 3.326 20 0 CGADHM Cc1ccc(CCCNC(=O)c2cccc([O-])c2)c(C)c1 ZINC000683892817 543950744 /nfs/dbraw/zinc/95/07/44/543950744.db2.gz MIEKVLHGOOVKRV-UHFFFAOYSA-N -1 3 283.371 3.372 20 0 CGADHM CC(C)([N-]S(=O)(=O)c1cccc2ccccc21)C(F)F ZINC000684597336 544017863 /nfs/dbraw/zinc/01/78/63/544017863.db2.gz IYLCNZOGCMXLAS-UHFFFAOYSA-N -1 3 299.342 3.162 20 0 CGADHM Cc1noc(C)c1Cc1noc(-c2ccc(C)c(C)c2[O-])n1 ZINC000684615746 544020073 /nfs/dbraw/zinc/02/00/73/544020073.db2.gz LGTPELWSHMHVQY-UHFFFAOYSA-N -1 3 299.330 3.255 20 0 CGADHM Cc1nccc(NC(=O)c2cc([O-])ccc2Cl)c1Cl ZINC000685821913 544098285 /nfs/dbraw/zinc/09/82/85/544098285.db2.gz KZCPHGIJOUWECY-UHFFFAOYSA-N -1 3 297.141 3.077 20 0 CGADHM O=C(CC1CCSCC1)Nc1ccc([O-])cc1F ZINC000133144101 287417595 /nfs/dbraw/zinc/41/75/95/287417595.db2.gz NWOINKUWIFFHIK-UHFFFAOYSA-N -1 3 269.341 3.003 20 0 CGADHM CCc1cc(=O)[n-]c(CN[C@H]2CCC[C@@H]2c2ccccc2)n1 ZINC000133734012 287428930 /nfs/dbraw/zinc/42/89/30/287428930.db2.gz WDEUFCPATRTJMF-CVEARBPZSA-N -1 3 297.402 3.171 20 0 CGADHM CC[C@]1(C)CCN([C@H](C)c2cc(C)c(C(=O)[O-])o2)C1 ZINC000652431817 418968840 /nfs/dbraw/zinc/96/88/40/418968840.db2.gz PJKKHVYQVGXIQZ-IAQYHMDHSA-N -1 3 265.353 3.469 20 0 CGADHM CC(C)C[C@H](C(=O)[O-])N(C)Cc1cccc(Cl)c1F ZINC000652485039 418975256 /nfs/dbraw/zinc/97/52/56/418975256.db2.gz MERKKUJEKRMITK-GFCCVEGCSA-N -1 3 287.762 3.410 20 0 CGADHM CCO[C@H](CC)c1noc(-c2cc(C)cc(OC)c2[O-])n1 ZINC000665037688 419042172 /nfs/dbraw/zinc/04/21/72/419042172.db2.gz CASDVIBATITNLY-LLVKDONJSA-N -1 3 292.335 3.247 20 0 CGADHM CCN(C(=O)c1ccc(C(C)C)cc1[O-])[C@H]1CCCOC1 ZINC000652815578 418993854 /nfs/dbraw/zinc/99/38/54/418993854.db2.gz IWWJQAVUKCSPLC-AWEZNQCLSA-N -1 3 291.391 3.157 20 0 CGADHM Cc1cc(CN2CCC[C@H](C3CCC3)C2)oc1C(=O)[O-] ZINC000659802792 418994369 /nfs/dbraw/zinc/99/43/69/418994369.db2.gz WRIOSYBBXGOXSM-ZDUSSCGKSA-N -1 3 277.364 3.298 20 0 CGADHM CC(C)(C)c1nc(CNC[C@H](C(=O)[O-])C2CCC2)cs1 ZINC000665363021 419119497 /nfs/dbraw/zinc/11/94/97/419119497.db2.gz QQDXBBCYWFSTEB-LBPRGKRZSA-N -1 3 296.436 3.031 20 0 CGADHM CCc1ccc(S(=O)(=O)[N-]C(C)(C)C(C)(F)F)s1 ZINC000656186987 419147598 /nfs/dbraw/zinc/14/75/98/419147598.db2.gz XEHYWCNGEQPMSA-UHFFFAOYSA-N -1 3 297.392 3.023 20 0 CGADHM CCOc1ccc(CNCc2cccc(C(=O)[O-])c2)c(C)c1 ZINC000656564474 419182970 /nfs/dbraw/zinc/18/29/70/419182970.db2.gz OGEIXRRNDIPSCQ-UHFFFAOYSA-N -1 3 299.370 3.382 20 0 CGADHM O=C([O-])[C@@H]1C=C[C@@H](NCc2cccc(C3CCCC3)c2)C1 ZINC000656566959 419184276 /nfs/dbraw/zinc/18/42/76/419184276.db2.gz XTFZLNNOGQIBMR-IAGOWNOFSA-N -1 3 285.387 3.463 20 0 CGADHM COc1cccc(CN(CCC(=O)[O-])CC2CC2)c1Cl ZINC000656757584 419209699 /nfs/dbraw/zinc/20/96/99/419209699.db2.gz VBWNNHHNRMMCTK-UHFFFAOYSA-N -1 3 297.782 3.035 20 0 CGADHM O=C([O-])c1ccc(CN2CC[C@H](C3CCCCC3)C2)nc1 ZINC000656761061 419210926 /nfs/dbraw/zinc/21/09/26/419210926.db2.gz LGIXUCWJDNTCFV-HNNXBMFYSA-N -1 3 288.391 3.182 20 0 CGADHM Cc1cc([C@H](C)N2CCC[C@@H](CCF)C2)oc1C(=O)[O-] ZINC000656762979 419212528 /nfs/dbraw/zinc/21/25/28/419212528.db2.gz JIKFBXSNYCTYFC-RYUDHWBXSA-N -1 3 283.343 3.419 20 0 CGADHM CCC[C@H](NCc1ccc(C(=O)[O-])cc1)c1ccccn1 ZINC000666574335 419226901 /nfs/dbraw/zinc/22/69/01/419226901.db2.gz LCHMVIALFZZMGX-HNNXBMFYSA-N -1 3 284.359 3.411 20 0 CGADHM CCn1c(=O)[n-]nc1SCC[C@H]1CCc2ccccc21 ZINC000657233756 419234460 /nfs/dbraw/zinc/23/44/60/419234460.db2.gz CSWMKFSQWGMFCV-GFCCVEGCSA-N -1 3 289.404 3.216 20 0 CGADHM C[C@@H]1CCC[C@@H](CNCc2cccc([O-])c2Cl)O1 ZINC000657669569 419324777 /nfs/dbraw/zinc/32/47/77/419324777.db2.gz NPKWXOCLDIOYGO-PWSUYJOCSA-N -1 3 269.772 3.093 20 0 CGADHM O=C(c1cccc([O-])c1)N(Cc1cccc(O)c1)CC1CC1 ZINC000182611072 287542415 /nfs/dbraw/zinc/54/24/15/287542415.db2.gz MKESSIHTCWVZAW-UHFFFAOYSA-N -1 3 297.354 3.150 20 0 CGADHM CC(C)(C)CN(CC(=O)[O-])Cc1cccc(Cl)c1F ZINC000662224867 419364166 /nfs/dbraw/zinc/36/41/66/419364166.db2.gz FFRABADAFGJXHA-UHFFFAOYSA-N -1 3 287.762 3.412 20 0 CGADHM Cc1cc(C)c2c(c1)CN(C(=O)c1cccc([O-])c1)CC2 ZINC000189243808 287567144 /nfs/dbraw/zinc/56/71/44/287567144.db2.gz QOYSPUGKQZEWAX-UHFFFAOYSA-N -1 3 281.355 3.208 20 0 CGADHM Cc1cc(C(=O)N[C@@H]2CC[C@H](C)[C@@H](C)C2)ccc1[O-] ZINC000230665268 287639714 /nfs/dbraw/zinc/63/97/14/287639714.db2.gz KGWOASUTKVGUSN-COPLHBTASA-N -1 3 261.365 3.255 20 0 CGADHM Cc1ccc(Cl)cc1NC(=O)/C=C/c1cncc([O-])c1 ZINC000179386437 260046802 /nfs/dbraw/zinc/04/68/02/260046802.db2.gz RDJBEEKDHFLVMT-HWKANZROSA-N -1 3 288.734 3.401 20 0 CGADHM CC(C)Oc1ccccc1NC(=O)/C=C/c1cncc([O-])c1 ZINC000179430090 260048314 /nfs/dbraw/zinc/04/83/14/260048314.db2.gz JEMBCQHHQJIAJY-BQYQJAHWSA-N -1 3 298.342 3.226 20 0 CGADHM Cc1cccc(C)c1NC(=O)/C=C/c1cncc([O-])c1 ZINC000179525366 260052912 /nfs/dbraw/zinc/05/29/12/260052912.db2.gz YCVVLKHSGNRULF-VOTSOKGWSA-N -1 3 268.316 3.056 20 0 CGADHM Cc1cc([C@H](C)NC(=O)c2ccc(C)cc2[O-])c(C)o1 ZINC000044731492 270037598 /nfs/dbraw/zinc/03/75/98/270037598.db2.gz KOAZFQWOFHGKTM-NSHDSACASA-N -1 3 273.332 3.401 20 0 CGADHM COc1cccc([C@@H]2C[C@@H]2C(=O)Nc2ccc(C)cc2[O-])c1 ZINC000106902306 270049189 /nfs/dbraw/zinc/04/91/89/270049189.db2.gz YFAVFZMRMRNZEB-GJZGRUSLSA-N -1 3 297.354 3.451 20 0 CGADHM Cc1ccc(C(=O)N(CCC(C)C)C2CC2)c([O-])c1 ZINC000107202752 270049835 /nfs/dbraw/zinc/04/98/35/270049835.db2.gz MZVNUDZRCUQYCK-UHFFFAOYSA-N -1 3 261.365 3.351 20 0 CGADHM CCc1cc(N[C@H](C)C(=O)[N-]c2cc(C)no2)ccc1C ZINC000182480211 270054132 /nfs/dbraw/zinc/05/41/32/270054132.db2.gz YFPLCEJZXHAFCA-GFCCVEGCSA-N -1 3 287.363 3.293 20 0 CGADHM CC(C)[C@H]1C[C@H]1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000185387691 270062611 /nfs/dbraw/zinc/06/26/11/270062611.db2.gz RNUPYZCULKCFMG-NXEZZACHSA-N -1 3 253.729 3.276 20 0 CGADHM C[C@H]1CCN(C(=O)[C@H]2C[C@@H]2C2CC2)c2c([O-])cccc21 ZINC000186272612 270065482 /nfs/dbraw/zinc/06/54/82/270065482.db2.gz NWPAGKOEBJUEHA-GDLCADMTSA-N -1 3 271.360 3.279 20 0 CGADHM CC(C)[C@]1(C)C[C@H]1C(=O)Nc1cccc([O-])c1F ZINC000186590857 270066710 /nfs/dbraw/zinc/06/67/10/270066710.db2.gz WTULQOJFIGQDFY-XPTSAGLGSA-N -1 3 251.301 3.152 20 0 CGADHM Cc1cccc([O-])c1NC(=O)[C@@H]1CCCc2c(O)cccc21 ZINC000190964268 270074210 /nfs/dbraw/zinc/07/42/10/270074210.db2.gz KMMOFWPVWNBVOA-CQSZACIVSA-N -1 3 297.354 3.465 20 0 CGADHM CSc1cc(O)ccc1[N-]C(=O)c1cc(C2CC2)on1 ZINC000191563321 270075093 /nfs/dbraw/zinc/07/50/93/270075093.db2.gz WLWPGLCZQGJAMB-UHFFFAOYSA-N -1 3 290.344 3.232 20 0 CGADHM CCC[C@@H]1CCCCN1C(=O)c1ccc([O-])c(C)c1 ZINC000230661391 270089205 /nfs/dbraw/zinc/08/92/05/270089205.db2.gz OQIWLKGIOCNDKC-CQSZACIVSA-N -1 3 261.365 3.495 20 0 CGADHM COc1ccc([O-])c(C(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)c1 ZINC000525258351 270118503 /nfs/dbraw/zinc/11/85/03/270118503.db2.gz WPDUUBXTLSESPG-YNEHKIRRSA-N -1 3 289.375 3.099 20 0 CGADHM CCC1(CNC(=O)c2cccc3nn[n-]c32)CCCCC1 ZINC000526122911 270123322 /nfs/dbraw/zinc/12/33/22/270123322.db2.gz ZEIUPOIMKYGOPI-UHFFFAOYSA-N -1 3 286.379 3.048 20 0 CGADHM CCC1(CNC(=O)c2cccc3[n-]nnc32)CCCCC1 ZINC000526122911 270123323 /nfs/dbraw/zinc/12/33/23/270123323.db2.gz ZEIUPOIMKYGOPI-UHFFFAOYSA-N -1 3 286.379 3.048 20 0 CGADHM CCC1(CNC(=O)c2cccc3n[n-]nc32)CCCCC1 ZINC000526122911 270123324 /nfs/dbraw/zinc/12/33/24/270123324.db2.gz ZEIUPOIMKYGOPI-UHFFFAOYSA-N -1 3 286.379 3.048 20 0 CGADHM CC(=O)c1cccc(NC(=O)[C@@H]2CCCC23CC3)c1[O-] ZINC000529389169 270180125 /nfs/dbraw/zinc/18/01/25/270180125.db2.gz TYPPXHLTKUOSGO-LBPRGKRZSA-N -1 3 273.332 3.114 20 0 CGADHM O=C(Cc1cc(Cl)cc(Cl)c1)[N-]OC1CCC1 ZINC000529443650 270181164 /nfs/dbraw/zinc/18/11/64/270181164.db2.gz JUPLRHNZVNLZEU-UHFFFAOYSA-N -1 3 274.147 3.136 20 0 CGADHM Cc1scnc1[N-]C(=O)c1cnc([C@H]2CCCO2)s1 ZINC000529552554 270184204 /nfs/dbraw/zinc/18/42/04/270184204.db2.gz YKAQFGKLHJMDTK-MRVPVSSYSA-N -1 3 295.389 3.012 20 0 CGADHM Cc1ccc(CN2CCc3occc3[C@H]2C(=O)[O-])cc1C ZINC000530169669 270195499 /nfs/dbraw/zinc/19/54/99/270195499.db2.gz QSNWKDSZCDWILD-INIZCTEOSA-N -1 3 285.343 3.080 20 0 CGADHM Cc1cc(C)cc(OCC(=O)Nc2cc(F)ccc2[O-])c1 ZINC000531133956 270204283 /nfs/dbraw/zinc/20/42/83/270204283.db2.gz MFIYVPBLWWIQJQ-UHFFFAOYSA-N -1 3 289.306 3.166 20 0 CGADHM C[C@@H]1C[C@H](C)N(Cc2nc3c4ccccc4oc3c(=O)[n-]2)C1 ZINC000354204346 274399157 /nfs/dbraw/zinc/39/91/57/274399157.db2.gz FLMVVJUQMPKDFS-MNOVXSKESA-N -1 3 297.358 3.312 20 0 CGADHM CC1(CNCc2cccc([O-])c2Br)CC1 ZINC000315764568 287944162 /nfs/dbraw/zinc/94/41/62/287944162.db2.gz UGOYLSWKPCCZIT-UHFFFAOYSA-N -1 3 270.170 3.044 20 0 CGADHM C[C@@H]1CCN(C(=O)CC2(C)CC2)c2c([O-])cccc21 ZINC000430074859 277737255 /nfs/dbraw/zinc/73/72/55/277737255.db2.gz FVVGZZGMNBLBSJ-LLVKDONJSA-N -1 3 259.349 3.423 20 0 CGADHM COc1ccc([O-])c(C(=O)N2CC(C)(C)[C@H]3CCC[C@@H]32)c1 ZINC000294718010 277916955 /nfs/dbraw/zinc/91/69/55/277916955.db2.gz KZULKEGUIVFQEI-KBPBESRZSA-N -1 3 289.375 3.052 20 0 CGADHM COc1cccc2c1n[n-]c2C(=O)Nc1c(C)cccc1C ZINC000362889915 278023343 /nfs/dbraw/zinc/02/33/43/278023343.db2.gz DOFVVLKISRSPAQ-UHFFFAOYSA-N -1 3 295.342 3.441 20 0 CGADHM COc1cccc2c(C(=O)Nc3c(C)cccc3C)n[n-]c21 ZINC000362889915 278023345 /nfs/dbraw/zinc/02/33/45/278023345.db2.gz DOFVVLKISRSPAQ-UHFFFAOYSA-N -1 3 295.342 3.441 20 0 CGADHM CC(C)c1ccoc1C(=O)[N-]c1nnc(C(F)F)s1 ZINC000339799441 278064470 /nfs/dbraw/zinc/06/44/70/278064470.db2.gz MNBRLDVPHQITMF-UHFFFAOYSA-N -1 3 287.291 3.444 20 0 CGADHM Cc1ccc(C(=O)NC[C@H](C)CC(F)(F)F)c([O-])c1 ZINC000397058697 288020779 /nfs/dbraw/zinc/02/07/79/288020779.db2.gz ZYHNWBYNMXZVJY-SECBINFHSA-N -1 3 275.270 3.019 20 0 CGADHM CC1(C)CN(C(=O)c2c[n-]c3ccccc3c2=O)[C@H]1C1CC1 ZINC000291068232 278326277 /nfs/dbraw/zinc/32/62/77/278326277.db2.gz INRMOABPZZSVFV-INIZCTEOSA-N -1 3 296.370 3.201 20 0 CGADHM CC(C)(CCCNCc1ccc(F)cc1Cl)C(=O)[O-] ZINC000426640902 278601791 /nfs/dbraw/zinc/60/17/91/278601791.db2.gz WCIGQPHVGLFXAJ-UHFFFAOYSA-N -1 3 287.762 3.460 20 0 CGADHM CC(C)CC1(C(=O)Nc2ncccc2[O-])CCCC1 ZINC000341899760 278742811 /nfs/dbraw/zinc/74/28/11/278742811.db2.gz JTVXBKSAONFIOM-UHFFFAOYSA-N -1 3 262.353 3.332 20 0 CGADHM Cc1ccc(NC(=O)c2noc3c2C[C@H](C)CC3)c([O-])c1 ZINC000437007535 278834627 /nfs/dbraw/zinc/83/46/27/278834627.db2.gz ZOFPWSRXXRJJNS-SECBINFHSA-N -1 3 286.331 3.066 20 0 CGADHM Cc1ccncc1C(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000335848889 278990199 /nfs/dbraw/zinc/99/01/99/278990199.db2.gz WRQHJZMCTIONCL-LBPRGKRZSA-N -1 3 282.343 3.250 20 0 CGADHM CCN1CCN(C(=O)c2cc(C)ccc2[O-])c2ccccc21 ZINC000171893287 279348678 /nfs/dbraw/zinc/34/86/78/279348678.db2.gz SCIMFNXTROTSOP-UHFFFAOYSA-N -1 3 296.370 3.187 20 0 CGADHM Cc1ncc(CN[C@H]2CC[C@H](C)c3ccsc32)c(=O)[n-]1 ZINC000519319244 288134178 /nfs/dbraw/zinc/13/41/78/288134178.db2.gz FPSSEQZOFAHNEE-ZANVPECISA-N -1 3 289.404 3.280 20 0 CGADHM CC[C@H](c1ccc(F)cc1F)N1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC000422586978 288155529 /nfs/dbraw/zinc/15/55/29/288155529.db2.gz HBLOIOQNCNFNEL-ZIBATOQPSA-N -1 3 297.345 3.459 20 0 CGADHM C[C@H]1CCN(C(=O)CC2CCOCC2)c2c([O-])cccc21 ZINC000186283283 279698428 /nfs/dbraw/zinc/69/84/28/279698428.db2.gz ZGXORJACLRYDEQ-LBPRGKRZSA-N -1 3 289.375 3.049 20 0 CGADHM Cc1[nH]ccc1C(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000186272507 280186206 /nfs/dbraw/zinc/18/62/06/280186206.db2.gz DCMAGDGIJCUWCF-SNVBAGLBSA-N -1 3 270.332 3.183 20 0 CGADHM Cc1ccc([O-])c(C(=O)N[C@H]2CCCOc3ccccc32)c1 ZINC000339984509 280918953 /nfs/dbraw/zinc/91/89/53/280918953.db2.gz YFWTXHGZOKSECS-HNNXBMFYSA-N -1 3 297.354 3.344 20 0 CGADHM CC[C@H]1CCCCCN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000336577700 281039651 /nfs/dbraw/zinc/03/96/51/281039651.db2.gz WSLORMKUUVPKHK-ZDUSSCGKSA-N -1 3 298.386 3.323 20 0 CGADHM C[C@@H]1CC(F)(F)CCN1Cc1ccccc1C(=O)[O-] ZINC000530173203 288292586 /nfs/dbraw/zinc/29/25/86/288292586.db2.gz NPJGFTGDMXDLAJ-SNVBAGLBSA-N -1 3 269.291 3.004 20 0 CGADHM C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)N1Cc1ccc(Cl)s1 ZINC000530174220 288293102 /nfs/dbraw/zinc/29/31/02/288293102.db2.gz IYTNZJXZAINDKS-ILWJIGKKSA-N -1 3 287.812 3.475 20 0 CGADHM C[C@H]1CC(C(=O)[O-])C[C@H](C)N1Cc1sccc1Cl ZINC000530174553 288293565 /nfs/dbraw/zinc/29/35/65/288293565.db2.gz LOBQTGBIYHZYMZ-IUCAKERBSA-N -1 3 287.812 3.475 20 0 CGADHM O=C(Nc1ccc(Cl)cc1[O-])c1cccc2nccnc21 ZINC000543582406 288810643 /nfs/dbraw/zinc/81/06/43/288810643.db2.gz MJJYDXPGGUFZTD-UHFFFAOYSA-N -1 3 299.717 3.241 20 0 CGADHM CC(C)[C@@H]1C[C@H](CC(=O)Nc2cccc([O-])c2F)CCO1 ZINC000543850569 288822666 /nfs/dbraw/zinc/82/26/66/288822666.db2.gz ZCOQSWLOLDOVGE-RISCZKNCSA-N -1 3 295.354 3.311 20 0 CGADHM CCc1cccc(-c2nc(-c3cc(C)ccn3)no2)c1[O-] ZINC000546288558 288922390 /nfs/dbraw/zinc/92/23/90/288922390.db2.gz PUXNOYHMJCIAMW-UHFFFAOYSA-N -1 3 281.315 3.375 20 0 CGADHM Cc1ccc2c(c1)CN(Cc1ncccc1[O-])C(C)(C)C2 ZINC000552381252 289184578 /nfs/dbraw/zinc/18/45/78/289184578.db2.gz COMHBBGDDBYVMZ-UHFFFAOYSA-N -1 3 282.387 3.433 20 0 CGADHM CC(C)CCO[C@@H](C)C(=O)Nc1c([O-])cccc1Cl ZINC000552781518 289198889 /nfs/dbraw/zinc/19/88/89/289198889.db2.gz JKAHXPYVZVRXED-JTQLQIEISA-N -1 3 285.771 3.435 20 0 CGADHM CC(C)c1cccc(NC(=O)Cc2cncc([O-])c2)c1 ZINC000552878420 289201402 /nfs/dbraw/zinc/20/14/02/289201402.db2.gz WCXRWYQDNMXOTR-UHFFFAOYSA-N -1 3 270.332 3.092 20 0 CGADHM [O-]c1cccnc1CN1CC[C@H](c2c(F)cccc2F)C1 ZINC000554861319 289314648 /nfs/dbraw/zinc/31/46/48/289314648.db2.gz MMIYVVRYFUVGHJ-NSHDSACASA-N -1 3 290.313 3.055 20 0 CGADHM Cc1cccc(N(C)C(=O)c2cc3c(cc2[O-])CCCC3)n1 ZINC000560611560 289609924 /nfs/dbraw/zinc/60/99/24/289609924.db2.gz RKFBYVMGSGXKME-UHFFFAOYSA-N -1 3 296.370 3.251 20 0 CGADHM O=C(CCCC1CCCC1)N=c1cc2ccccn2[n-]1 ZINC000561156622 289627324 /nfs/dbraw/zinc/62/73/24/289627324.db2.gz AAYWWYHGZGXLJS-UHFFFAOYSA-N -1 3 271.364 3.055 20 0 CGADHM CCc1cc(C(=O)Nc2cc(C(C)C)[nH]n2)ccc1[O-] ZINC000561183367 289627677 /nfs/dbraw/zinc/62/76/77/289627677.db2.gz RJFGYEOGTMGRLA-UHFFFAOYSA-N -1 3 273.336 3.053 20 0 CGADHM C[C@H]1CCCC[C@@H]1C(=O)N1CCCc2cccc([O-])c21 ZINC000424745924 290398110 /nfs/dbraw/zinc/39/81/10/290398110.db2.gz KMGOOJNPTRVPNA-JSGCOSHPSA-N -1 3 273.376 3.498 20 0 CGADHM Cc1nc(C(=O)[N-]c2c(F)cc(F)cc2F)c(C)s1 ZINC000335924797 293193255 /nfs/dbraw/zinc/19/32/55/293193255.db2.gz CBNKRHLGYMPHQM-UHFFFAOYSA-N -1 3 286.278 3.430 20 0 CGADHM Cc1cccc(C(=O)N2[C@H](C)C[C@H]3CCCC[C@@H]32)c1[O-] ZINC000173050950 301955112 /nfs/dbraw/zinc/95/51/12/301955112.db2.gz LNGCJTQZCXGMTC-NFAWXSAZSA-N -1 3 273.376 3.494 20 0 CGADHM CCc1ncc(C(=O)N2CCCc3cccc([O-])c32)s1 ZINC000155555560 321765730 /nfs/dbraw/zinc/76/57/30/321765730.db2.gz ZNLRQCZCCFFVJF-UHFFFAOYSA-N -1 3 288.372 3.004 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)Sc2ccc(F)cc2)n1 ZINC000155847050 321770260 /nfs/dbraw/zinc/77/02/60/321770260.db2.gz DCGJGYQIVYPMRA-SECBINFHSA-N -1 3 264.325 3.483 20 0 CGADHM COc1ccc([O-])c(C(=O)Nc2cccc3[nH]ccc32)c1 ZINC000171274023 321923747 /nfs/dbraw/zinc/92/37/47/321923747.db2.gz ORMBCHWZCXATCE-UHFFFAOYSA-N -1 3 282.299 3.134 20 0 CGADHM Cc1cccc(S(=O)(=O)[N-][C@H]2CC23CCCCC3)c1F ZINC000313216761 321959261 /nfs/dbraw/zinc/95/92/61/321959261.db2.gz GYBAWDGKGVOSHD-ZDUSSCGKSA-N -1 3 297.395 3.135 20 0 CGADHM Cc1cc([C@@H](NCc2ncccc2[O-])C2CC2)ccc1F ZINC000563917799 322015123 /nfs/dbraw/zinc/01/51/23/322015123.db2.gz TZKYLDRMSJJOKV-KRWDZBQOSA-N -1 3 286.350 3.476 20 0 CGADHM CCCN(Cc1csc(C(=O)[O-])c1)C[C@H]1CCCCO1 ZINC000564464618 322032033 /nfs/dbraw/zinc/03/20/33/322032033.db2.gz XJJIHDFEQJYCDL-CYBMUJFWSA-N -1 3 297.420 3.227 20 0 CGADHM Cc1cccc2c1ncc(C)c2N1C[C@@H](C)[C@](C)(C(=O)[O-])C1 ZINC000565367840 322074973 /nfs/dbraw/zinc/07/49/73/322074973.db2.gz OQVVZJBRAXKCCA-FZKQIMNGSA-N -1 3 298.386 3.399 20 0 CGADHM C[C@@H](CC(F)F)C(=O)Nc1c([O-])cccc1Cl ZINC000565551118 322082007 /nfs/dbraw/zinc/08/20/07/322082007.db2.gz VLGIZHKEXXPLRD-LURJTMIESA-N -1 3 263.671 3.275 20 0 CGADHM CC(=O)c1cccc(NC(=O)CCCC(F)(F)F)c1[O-] ZINC000566280694 322113650 /nfs/dbraw/zinc/11/36/50/322113650.db2.gz HZEKSFKEKDQQNY-UHFFFAOYSA-N -1 3 289.253 3.266 20 0 CGADHM CCc1oc(C(=O)[O-])cc1CN1CCCC(C)(C)C1 ZINC000566357813 322118015 /nfs/dbraw/zinc/11/80/15/322118015.db2.gz MTYZYJYVUCRKQZ-UHFFFAOYSA-N -1 3 265.353 3.162 20 0 CGADHM c1cc(-c2noc(CCC3CCCC3)n2)cc2n[n-]nc12 ZINC000566565819 322129913 /nfs/dbraw/zinc/12/99/13/322129913.db2.gz RPUXXDNHTHFMIK-UHFFFAOYSA-N -1 3 283.335 3.131 20 0 CGADHM CCN(C(=O)Cc1ccc([O-])cc1Cl)[C@@H](C)C(C)C ZINC000566646871 322132871 /nfs/dbraw/zinc/13/28/71/322132871.db2.gz VSXCWPLLJVNWAC-NSHDSACASA-N -1 3 283.799 3.481 20 0 CGADHM CCc1cccc(-c2nc([C@@H]3CCOC[C@@H]3C)no2)c1[O-] ZINC000567111675 322150608 /nfs/dbraw/zinc/15/06/08/322150608.db2.gz BUYYUTGGYXQGHN-CMPLNLGQSA-N -1 3 288.347 3.145 20 0 CGADHM Cc1ccc(CN[C@@H](Cc2ccco2)C(=O)[O-])c(Cl)c1 ZINC000567392353 322161968 /nfs/dbraw/zinc/16/19/68/322161968.db2.gz OBMLWGCNOPYQRL-AWEZNQCLSA-N -1 3 293.750 3.027 20 0 CGADHM C[C@H](CCC(C)(C)C)NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000567518152 322166535 /nfs/dbraw/zinc/16/65/35/322166535.db2.gz HXKCCJQFKYNNTG-SNVBAGLBSA-N -1 3 291.395 3.004 20 0 CGADHM C[C@H]1CCSCCN1Cc1cc(C(=O)[O-])ccc1Cl ZINC000568066140 322191736 /nfs/dbraw/zinc/19/17/36/322191736.db2.gz QSZUNPHIKUWTOV-JTQLQIEISA-N -1 3 299.823 3.366 20 0 CGADHM C[C@@H](CN(Cc1cccc(Cl)c1F)C1CC1)C(=O)[O-] ZINC000568642109 322216950 /nfs/dbraw/zinc/21/69/50/322216950.db2.gz XSLLPJQUPSIGKM-VIFPVBQESA-N -1 3 285.746 3.164 20 0 CGADHM CC(C)C1CCN(Cc2csc(C(=O)[O-])c2)CC1 ZINC000568772533 322222088 /nfs/dbraw/zinc/22/20/88/322222088.db2.gz VJNKDOLKFJIIDB-UHFFFAOYSA-N -1 3 267.394 3.314 20 0 CGADHM [O-]c1ccc(-c2noc([C@H]3CC34CCCC4)n2)cc1 ZINC000570334973 322271031 /nfs/dbraw/zinc/27/10/31/322271031.db2.gz YCIWOSJVKYGZPI-GFCCVEGCSA-N -1 3 256.305 3.490 20 0 CGADHM Cc1ccc(-c2nc(-c3ccc4n[n-]nc4c3)no2)s1 ZINC000570498577 322274999 /nfs/dbraw/zinc/27/49/99/322274999.db2.gz ZUVTYVHUHTUGFY-UHFFFAOYSA-N -1 3 283.316 3.045 20 0 CGADHM CCN(CC(=O)[O-])Cc1cc(Cl)ccc1OCC1CC1 ZINC000570577140 322276929 /nfs/dbraw/zinc/27/69/29/322276929.db2.gz UGGRGRZUMZYZII-UHFFFAOYSA-N -1 3 297.782 3.035 20 0 CGADHM Cc1cc(CN2CCC(C)(C3CC3)CC2)oc1C(=O)[O-] ZINC000570827722 322283266 /nfs/dbraw/zinc/28/32/66/322283266.db2.gz XXGHSJNMDOZGHP-UHFFFAOYSA-N -1 3 277.364 3.298 20 0 CGADHM Cc1oc([C@H](C)N2CC[C@H](OCC(C)C)C2)cc1C(=O)[O-] ZINC000572168662 322323409 /nfs/dbraw/zinc/32/34/09/322323409.db2.gz GUQAMVHYBFDQMK-AAEUAGOBSA-N -1 3 295.379 3.094 20 0 CGADHM C[C@H]1C[C@H](NC(=O)c2c[n-]nc2-c2ccccn2)C[C@@H](C)C1 ZINC000572329081 322331912 /nfs/dbraw/zinc/33/19/12/322331912.db2.gz XTFQCDCHGJJFHD-ITGUQSILSA-N -1 3 298.390 3.026 20 0 CGADHM CCOc1cc(-c2noc([C@@H]3C[C@@H]3C3CC3)n2)ccc1[O-] ZINC000574512923 322444379 /nfs/dbraw/zinc/44/43/79/322444379.db2.gz AHXBDSKALCMDJA-VXGBXAGGSA-N -1 3 286.331 3.354 20 0 CGADHM COc1cccc([C@@H](C)NC(=O)c2ccc(C)cc2[O-])c1 ZINC000436759141 533708423 /nfs/dbraw/zinc/70/84/23/533708423.db2.gz TVMVOLQAOVSSFP-GFCCVEGCSA-N -1 3 285.343 3.200 20 0 CGADHM COc1ccc(Cl)cc1CN(C)CCCCCC(=O)[O-] ZINC000583446082 327371561 /nfs/dbraw/zinc/37/15/61/327371561.db2.gz NLXMMUPYCJJGIZ-UHFFFAOYSA-N -1 3 299.798 3.425 20 0 CGADHM [O-]c1cccnc1CNC1(c2cccc(Cl)c2)CC1 ZINC000582693412 329128564 /nfs/dbraw/zinc/12/85/64/329128564.db2.gz ZCDAJVRMUKIHFV-UHFFFAOYSA-N -1 3 274.751 3.220 20 0 CGADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@@H]1CCC[C@H](F)C1 ZINC000576945824 335267723 /nfs/dbraw/zinc/26/77/23/335267723.db2.gz OEQJGWFBJDSACB-QWHCGFSZSA-N -1 3 297.345 3.251 20 0 CGADHM O=C(C[C@H]1C=CCC1)Nc1cc(Br)ccc1[O-] ZINC000176431984 335275893 /nfs/dbraw/zinc/27/58/93/335275893.db2.gz HVKZCVNSHNYVLU-VIFPVBQESA-N -1 3 296.164 3.450 20 0 CGADHM CCC[C@H]1CCCC[C@H]1NC(=O)c1cccc(OC)c1[O-] ZINC000577477206 335356320 /nfs/dbraw/zinc/35/63/20/335356320.db2.gz RUNPOSNYELRQAB-GXTWGEPZSA-N -1 3 291.391 3.490 20 0 CGADHM Cc1cnc([N-]C(=O)c2c(F)c(F)cc(F)c2F)s1 ZINC000177554714 335374411 /nfs/dbraw/zinc/37/44/11/335374411.db2.gz NPADXKIABHBLLR-UHFFFAOYSA-N -1 3 290.241 3.260 20 0 CGADHM CCC[C@@H](CC)S(=O)(=O)[N-]c1cccc2c1OCCC2 ZINC000577876357 335416023 /nfs/dbraw/zinc/41/60/23/335416023.db2.gz VHFYWZCERJNWEF-CYBMUJFWSA-N -1 3 297.420 3.332 20 0 CGADHM Cc1cccc(-c2nc(-c3cnc4ccccn43)no2)c1[O-] ZINC000350902642 335546254 /nfs/dbraw/zinc/54/62/54/335546254.db2.gz PFFMOOIKWDLBHL-UHFFFAOYSA-N -1 3 292.298 3.065 20 0 CGADHM [O-]c1ccc(Cc2nc(CC3CC(F)(F)C3)no2)cc1F ZINC000351165635 335577280 /nfs/dbraw/zinc/57/72/80/335577280.db2.gz JKQDXZQDUFLKRH-UHFFFAOYSA-N -1 3 298.264 3.093 20 0 CGADHM COc1cc(-c2noc(-c3[nH]ccc3C3CC3)n2)ccc1[O-] ZINC000351176469 335578796 /nfs/dbraw/zinc/57/87/96/335578796.db2.gz BSBRFLGZSRVTMZ-UHFFFAOYSA-N -1 3 297.314 3.323 20 0 CGADHM CCCc1coc([N-]C(=O)c2sccc2F)n1 ZINC000578903850 335687298 /nfs/dbraw/zinc/68/72/98/335687298.db2.gz CMIIRFPJYQTGSZ-UHFFFAOYSA-N -1 3 254.286 3.080 20 0 CGADHM O=C(CSCc1ccccc1)Nc1ccccc1[O-] ZINC000194685642 336037314 /nfs/dbraw/zinc/03/73/14/336037314.db2.gz LKUWOVWRPDUGAJ-UHFFFAOYSA-N -1 3 273.357 3.264 20 0 CGADHM [O-]c1cccc(CNCCOc2ccccc2)c1Cl ZINC000381363908 336060510 /nfs/dbraw/zinc/06/05/10/336060510.db2.gz HIVDADMTSNQCIX-UHFFFAOYSA-N -1 3 277.751 3.214 20 0 CGADHM Cc1ccc2nccc(N3CCC[C@](C)(C(=O)[O-])C3)c2c1 ZINC000581946161 336174499 /nfs/dbraw/zinc/17/44/99/336174499.db2.gz BLHOTUJRGWVQNY-KRWDZBQOSA-N -1 3 284.359 3.234 20 0 CGADHM COc1ccc(C[C@H](C)CNC(=O)c2ccccc2[O-])cc1 ZINC000436817762 533786785 /nfs/dbraw/zinc/78/67/85/533786785.db2.gz CFTMVZHNXYBWAB-ZDUSSCGKSA-N -1 3 299.370 3.009 20 0 CGADHM C[C@H](CCC(=O)[O-])CNCc1ccc(Cl)cc1F ZINC000426633349 533796585 /nfs/dbraw/zinc/79/65/85/533796585.db2.gz FGCXIECCMULLRB-SECBINFHSA-N -1 3 273.735 3.070 20 0 CGADHM C[C@@H]1CCN(C(=O)c2cc3c(cc2[O-])CCCC3)C[C@H]1C ZINC000436960325 534004392 /nfs/dbraw/zinc/00/43/92/534004392.db2.gz GZJFTENHITUAOP-CHWSQXEVSA-N -1 3 287.403 3.389 20 0 CGADHM C[C@@H]1OCC[C@@H]1c1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000436614499 534184168 /nfs/dbraw/zinc/18/41/68/534184168.db2.gz YHUTVOZTEUPISQ-QWRGUYRKSA-N -1 3 296.326 3.488 20 0 CGADHM Cc1ccc(-c2nnc(NC(=O)C[C@H](C)C(C)(C)C)[n-]2)o1 ZINC000359014458 534199950 /nfs/dbraw/zinc/19/99/50/534199950.db2.gz AVZHSCUICFCLKI-VIFPVBQESA-N -1 3 290.367 3.384 20 0 CGADHM Cc1ccc(-c2n[n-]c(NC(=O)C[C@H](C)C(C)(C)C)n2)o1 ZINC000359014458 534199956 /nfs/dbraw/zinc/19/99/56/534199956.db2.gz AVZHSCUICFCLKI-VIFPVBQESA-N -1 3 290.367 3.384 20 0 CGADHM Cc1ccc(-c2nc(NC(=O)C[C@H](C)C(C)(C)C)n[n-]2)o1 ZINC000359014458 534199961 /nfs/dbraw/zinc/19/99/61/534199961.db2.gz AVZHSCUICFCLKI-VIFPVBQESA-N -1 3 290.367 3.384 20 0 CGADHM Cc1ccc(-c2nc(-c3cccnc3)no2)c([O-])c1C ZINC000436893854 534206029 /nfs/dbraw/zinc/20/60/29/534206029.db2.gz CJEZMZAFWPOVDC-UHFFFAOYSA-N -1 3 267.288 3.121 20 0 CGADHM C[C@@H]1CC[C@](CNCc2c(F)cccc2F)(CC(=O)[O-])C1 ZINC000426628588 534264198 /nfs/dbraw/zinc/26/41/98/534264198.db2.gz NGHBUNGHXJNZPD-BDJLRTHQSA-N -1 3 297.345 3.336 20 0 CGADHM CC(C)N(Cc1cc(C(=O)[O-])ccc1F)CC1CC1 ZINC000062755813 519653451 /nfs/dbraw/zinc/65/34/51/519653451.db2.gz OWCDSJYWOCJWRM-UHFFFAOYSA-N -1 3 265.328 3.144 20 0 CGADHM Cc1ccoc1CN[C@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000426759691 534449828 /nfs/dbraw/zinc/44/98/28/534449828.db2.gz XJWVPGUTQJUMFS-WFASDCNBSA-N -1 3 273.332 3.140 20 0 CGADHM CC(C)c1noc([N-]Cc2cc(COC(C)(C)C)on2)n1 ZINC000274955979 519906202 /nfs/dbraw/zinc/90/62/02/519906202.db2.gz FLCIUABJRUTQGA-UHFFFAOYSA-N -1 3 294.355 3.108 20 0 CGADHM CCC[C@@H](NCc1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000087761458 520779086 /nfs/dbraw/zinc/77/90/86/520779086.db2.gz GUBMMVNINWUGLY-LLVKDONJSA-N -1 3 276.163 3.336 20 0 CGADHM CCC[C@H]1C[C@@H](C(=O)Nc2cc(F)ccc2[O-])CCO1 ZINC000184130241 521230407 /nfs/dbraw/zinc/23/04/07/521230407.db2.gz ZRZQKPQDUGVJGY-JQWIXIFHSA-N -1 3 281.327 3.065 20 0 CGADHM CCC(CC)(NCc1ccsc1Cl)C(=O)[O-] ZINC000309420980 521475360 /nfs/dbraw/zinc/47/53/60/521475360.db2.gz ZPUHCUWVWXIWBB-UHFFFAOYSA-N -1 3 261.774 3.135 20 0 CGADHM Cc1cccc(C(=O)N(C)Cc2ccc(F)cc2C)c1[O-] ZINC000436734328 534584704 /nfs/dbraw/zinc/58/47/04/534584704.db2.gz CPQARJCLISYRRA-UHFFFAOYSA-N -1 3 287.334 3.420 20 0 CGADHM CO[C@H](C)CCC(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000184136912 523864283 /nfs/dbraw/zinc/86/42/83/523864283.db2.gz GOHVODXAJLHDMY-MRVPVSSYSA-N -1 3 291.269 3.165 20 0 CGADHM C[C@H]1CN(C(=O)c2ccccc2[O-])[C@@H]2CCCC[C@H]12 ZINC000183774746 524541396 /nfs/dbraw/zinc/54/13/96/524541396.db2.gz ZPQQARLNRCHFJN-OUCADQQQSA-N -1 3 259.349 3.043 20 0 CGADHM Cc1ncsc1CCC(=O)Nc1ccc(C)cc1[O-] ZINC000411200932 534796920 /nfs/dbraw/zinc/79/69/20/534796920.db2.gz JWXHRQOZRZNSKH-UHFFFAOYSA-N -1 3 276.361 3.037 20 0 CGADHM C[C@@H]1CC[C@H](C)CN1C(=O)Cc1ccc([O-])cc1Cl ZINC000155516904 524645471 /nfs/dbraw/zinc/64/54/71/524645471.db2.gz NWPCAWUIMVYMBD-WDEREUQCSA-N -1 3 281.783 3.235 20 0 CGADHM Cc1ccccc1OCc1noc(-c2ccccc2[O-])n1 ZINC000436943107 534830061 /nfs/dbraw/zinc/83/00/61/534830061.db2.gz YNNNDKGPRRDJOM-UHFFFAOYSA-N -1 3 282.299 3.330 20 0 CGADHM Cc1ccc([N-]S(=O)(=O)CCc2cccs2)c(F)c1 ZINC000357552022 525294269 /nfs/dbraw/zinc/29/42/69/525294269.db2.gz VHGOSUREONZQLS-UHFFFAOYSA-N -1 3 299.392 3.180 20 0 CGADHM [O-]c1cc2ccccc2cc1-c1nc([C@@H]2CCCO2)no1 ZINC000087803792 526337979 /nfs/dbraw/zinc/33/79/79/526337979.db2.gz ACGIFWMTOTZOML-AWEZNQCLSA-N -1 3 282.299 3.447 20 0 CGADHM CC(C)(C)[C@@H]1CCC[C@@H]1NC(=O)Cc1ccc([O-])c(F)c1 ZINC000412824521 526657712 /nfs/dbraw/zinc/65/77/12/526657712.db2.gz OGNGRYVWJKDYTN-OCCSQVGLSA-N -1 3 293.382 3.405 20 0 CGADHM CC(C)(C)[C@H]1CCCN1C(=O)Cc1ccc([O-])c(F)c1 ZINC000448909108 526722678 /nfs/dbraw/zinc/72/26/78/526722678.db2.gz LDLABPIABAWRCY-CQSZACIVSA-N -1 3 279.355 3.111 20 0 CGADHM CC(C)(C)c1cnc(NC(=O)c2c([O-])cccc2O)s1 ZINC000436648997 526828222 /nfs/dbraw/zinc/82/82/22/526828222.db2.gz QDSAHKOXKBTPPP-UHFFFAOYSA-N -1 3 292.360 3.104 20 0 CGADHM CC(=O)c1ccc(C(=O)N(C)[C@H]2CCC[C@H](C)C2)cc1[O-] ZINC000411358690 527235813 /nfs/dbraw/zinc/23/58/13/527235813.db2.gz TTYWWDYNJGUYPA-FZMZJTMJSA-N -1 3 289.375 3.246 20 0 CGADHM CC(=O)c1ccc(C(=O)NCC(C)(C)C(C)C)cc1[O-] ZINC000412274094 527250553 /nfs/dbraw/zinc/25/05/53/527250553.db2.gz HSQCVNZCDUOYDH-UHFFFAOYSA-N -1 3 277.364 3.007 20 0 CGADHM CC1(C)C[C@@H]1c1noc(/C=C/c2cccc([O-])c2)n1 ZINC000435953931 527720781 /nfs/dbraw/zinc/72/07/81/527720781.db2.gz PDXJBNACDKWOCU-NNNHXZLVSA-N -1 3 256.305 3.459 20 0 CGADHM CC(C)[C@H]1CCN1C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000436977673 527804808 /nfs/dbraw/zinc/80/48/08/527804808.db2.gz GGBYCMMHSMNNPH-OAHLLOKOSA-N -1 3 273.376 3.142 20 0 CGADHM CCC[C@@H]1SCCN1C(=O)c1ccc(C)c(C)c1[O-] ZINC000436544136 527872794 /nfs/dbraw/zinc/87/27/94/527872794.db2.gz BLVQKGLPDIBRGO-ZDUSSCGKSA-N -1 3 279.405 3.324 20 0 CGADHM CCN=c1[n-]c(C(=O)Nc2ccc(C)c(Cl)c2)cs1 ZINC000358284376 528001445 /nfs/dbraw/zinc/00/14/45/528001445.db2.gz BYZGOSUPJMAVDR-UHFFFAOYSA-N -1 3 295.795 3.211 20 0 CGADHM CC(C)c1cc(-c2nc(-c3ccc([O-])cc3)no2)no1 ZINC000436731524 528006631 /nfs/dbraw/zinc/00/66/31/528006631.db2.gz LUANLAHIJAIAQZ-UHFFFAOYSA-N -1 3 271.276 3.221 20 0 CGADHM CC(C)c1ccc(C(=O)N2CCO[C@@H](C(C)C)C2)c([O-])c1 ZINC000436895226 528063129 /nfs/dbraw/zinc/06/31/29/528063129.db2.gz UHVZZLOTGKMUAR-MRXNPFEDSA-N -1 3 291.391 3.013 20 0 CGADHM CCCCCNC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436775216 528213075 /nfs/dbraw/zinc/21/30/75/528213075.db2.gz PGBCORNQNPSLFG-UHFFFAOYSA-N -1 3 277.364 3.026 20 0 CGADHM CCN(CC)[C@@H](CN=c1nc(C2CC2)[n-]s1)CC(C)C ZINC000426600466 528234273 /nfs/dbraw/zinc/23/42/73/528234273.db2.gz IEDSFIFEJXYTFY-CYBMUJFWSA-N -1 3 296.484 3.006 20 0 CGADHM CCOC1CC(N(C)C(=O)c2ccc(C(C)C)cc2[O-])C1 ZINC000436738182 528509617 /nfs/dbraw/zinc/50/96/17/528509617.db2.gz NPQAOEOUEZLPIG-UHFFFAOYSA-N -1 3 291.391 3.155 20 0 CGADHM CCC(CC)(CCO)NC(=O)c1ccc(C(C)C)cc1[O-] ZINC000436670073 528648825 /nfs/dbraw/zinc/64/88/25/528648825.db2.gz OZEUKPCMKRPSLB-UHFFFAOYSA-N -1 3 293.407 3.187 20 0 CGADHM CCOc1cccc(CNC(=O)c2ccc(C)c(C)c2[O-])c1 ZINC000436562998 528652176 /nfs/dbraw/zinc/65/21/76/528652176.db2.gz CGKGHQMDHSHFIH-UHFFFAOYSA-N -1 3 299.370 3.338 20 0 CGADHM CCOc1ccccc1CNC(=O)c1cc(CC)ccc1[O-] ZINC000436843969 528729181 /nfs/dbraw/zinc/72/91/81/528729181.db2.gz CIBFBFWOORFWKB-UHFFFAOYSA-N -1 3 299.370 3.283 20 0 CGADHM CC1(C)CC[C@@H]([N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000162700415 529028969 /nfs/dbraw/zinc/02/89/69/529028969.db2.gz SQBCDOFWPVQTMY-MRVPVSSYSA-N -1 3 293.841 3.259 20 0 CGADHM CCO[N-]C(=O)Nc1cc(-c2ccccc2)cnc1C ZINC000363885076 529085357 /nfs/dbraw/zinc/08/53/57/529085357.db2.gz OSDJFTKTUSVRGA-UHFFFAOYSA-N -1 3 271.320 3.130 20 0 CGADHM CCN(C(=O)c1ccc(OC)cc1[O-])[C@H]1CCCC[C@H]1C ZINC000171242930 529085438 /nfs/dbraw/zinc/08/54/38/529085438.db2.gz CBEHPWGGWQECFL-DOMZBBRYSA-N -1 3 291.391 3.442 20 0 CGADHM CCS[C@H]1CC[C@H](N(C)C(=O)c2ccc(C)cc2[O-])C1 ZINC000175393227 529234061 /nfs/dbraw/zinc/23/40/61/529234061.db2.gz ZSXNDIFQDZBXAQ-STQMWFEESA-N -1 3 293.432 3.447 20 0 CGADHM CC[C@@H](C(=O)Nc1nnc(SC)[n-]1)C1CCC(C)CC1 ZINC000359584498 529294250 /nfs/dbraw/zinc/29/42/50/529294250.db2.gz DOJKPKPBJPXTNN-VQXHTEKXSA-N -1 3 296.440 3.318 20 0 CGADHM CC[C@@H](C(=O)Nc1nc(SC)n[n-]1)C1CCC(C)CC1 ZINC000359584498 529294253 /nfs/dbraw/zinc/29/42/53/529294253.db2.gz DOJKPKPBJPXTNN-VQXHTEKXSA-N -1 3 296.440 3.318 20 0 CGADHM CC[C@@H](C(=O)Nc1n[n-]c(SC)n1)C1CCC(C)CC1 ZINC000359584498 529294254 /nfs/dbraw/zinc/29/42/54/529294254.db2.gz DOJKPKPBJPXTNN-VQXHTEKXSA-N -1 3 296.440 3.318 20 0 CGADHM CC[C@@H](C)CN(CC)C(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000412177182 529318487 /nfs/dbraw/zinc/31/84/87/529318487.db2.gz ZNCFUNKPKOJKPI-LLVKDONJSA-N -1 3 277.364 3.103 20 0 CGADHM CC[C@@H]1C[C@H]1C(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000451026611 535911662 /nfs/dbraw/zinc/91/16/62/535911662.db2.gz UKKHGXVCOUBGLV-VXNVDRBHSA-N -1 3 289.253 3.275 20 0 CGADHM CC[C@H]1CCCN1Cc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000459339137 536071579 /nfs/dbraw/zinc/07/15/79/536071579.db2.gz NFBNQXSLFIPARE-HNNXBMFYSA-N -1 3 283.375 3.224 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CC[C@H](CC3CC3)C2)c1 ZINC000518427247 536190799 /nfs/dbraw/zinc/19/07/99/536190799.db2.gz WYQDJMSMMRQAOF-CQSZACIVSA-N -1 3 273.376 3.217 20 0 CGADHM COc1ccc(NC(=O)CCCC(=O)C(C)(C)C)c([O-])c1 ZINC000451023252 571717648 /nfs/dbraw/zinc/71/76/48/571717648.db2.gz FEKYBATWUBPPSR-UHFFFAOYSA-N -1 3 293.363 3.125 20 0 CGADHM O=[S@@](C[C@@H]1CCCCC1(F)F)c1cccc([O-])c1 ZINC000335647669 571726297 /nfs/dbraw/zinc/72/62/97/571726297.db2.gz PZYXDGFKVKTCAI-YPMLDQLKSA-N -1 3 274.332 3.325 20 0 CGADHM O=[S@](C[C@@H]1CCCCC1(F)F)c1cccc([O-])c1 ZINC000335647668 571726594 /nfs/dbraw/zinc/72/65/94/571726594.db2.gz PZYXDGFKVKTCAI-XTZNXHDOSA-N -1 3 274.332 3.325 20 0 CGADHM COc1cccc([C@@H]2C[C@H]2C(=O)[N-]OCc2ccccc2)c1 ZINC000730207694 571970874 /nfs/dbraw/zinc/97/08/74/571970874.db2.gz XYCADSBMQOJRRB-DLBZAZTESA-N -1 3 297.354 3.047 20 0 CGADHM COc1cccc(CCC(=O)Nc2ccc(C)cc2[O-])c1 ZINC000024588445 572335405 /nfs/dbraw/zinc/33/54/05/572335405.db2.gz XNUCUKIPEPBXBN-UHFFFAOYSA-N -1 3 285.343 3.281 20 0 CGADHM C[C@H](NC(=O)c1cc([O-])c2ccccc2c1)C1CC1 ZINC000280089061 572343791 /nfs/dbraw/zinc/34/37/91/572343791.db2.gz WJMIKXSWHNQWBH-JTQLQIEISA-N -1 3 255.317 3.074 20 0 CGADHM CC(C)(C)CCC(=O)Nc1n[n-]c(-c2cccs2)n1 ZINC000737837325 572361811 /nfs/dbraw/zinc/36/18/11/572361811.db2.gz WMDGTCWLSANPNA-UHFFFAOYSA-N -1 3 278.381 3.298 20 0 CGADHM c1cc(N2CCC3(CCCCC3)CC2)ccc1-c1nnn[n-]1 ZINC000738413506 572374343 /nfs/dbraw/zinc/37/43/43/572374343.db2.gz SLVBBQYENKOZIT-UHFFFAOYSA-N -1 3 297.406 3.417 20 0 CGADHM c1cc(N2CCC3(CCCCC3)CC2)ccc1-c1nn[n-]n1 ZINC000738413506 572374347 /nfs/dbraw/zinc/37/43/47/572374347.db2.gz SLVBBQYENKOZIT-UHFFFAOYSA-N -1 3 297.406 3.417 20 0 CGADHM c1csc(SCc2ccccc2-c2nnn[n-]2)c1 ZINC000738452312 572376207 /nfs/dbraw/zinc/37/62/07/572376207.db2.gz OJRIHGLKXYPOIT-UHFFFAOYSA-N -1 3 274.374 3.221 20 0 CGADHM c1csc(SCc2ccccc2-c2nn[n-]n2)c1 ZINC000738452312 572376212 /nfs/dbraw/zinc/37/62/12/572376212.db2.gz OJRIHGLKXYPOIT-UHFFFAOYSA-N -1 3 274.374 3.221 20 0 CGADHM COc1ccc([C@@H](NCc2c(C)cccc2C)C(=O)[O-])cc1 ZINC000737974841 572380526 /nfs/dbraw/zinc/38/05/26/572380526.db2.gz WWGQAWHXQHKRPC-QGZVFWFLSA-N -1 3 299.370 3.228 20 0 CGADHM C[C@@H](NC(=O)[O-])C1CCN([C@@H](C)c2cccc(F)c2)CC1 ZINC000739029625 572407715 /nfs/dbraw/zinc/40/77/15/572407715.db2.gz WBOVOMLLDADXEK-NEPJUHHUSA-N -1 3 294.370 3.255 20 0 CGADHM Cc1cc(N2CC[C@@H](NC(=O)[O-])[C@H](C)C2)c2ccccc2n1 ZINC000740078817 572431263 /nfs/dbraw/zinc/43/12/63/572431263.db2.gz VUQGPHIQCMMZHK-BXUZGUMPSA-N -1 3 299.374 3.026 20 0 CGADHM CCCCc1nc(CO[N-]C(=O)C(C)(C)C)cs1 ZINC000732806050 572485204 /nfs/dbraw/zinc/48/52/04/572485204.db2.gz RHYFPXQEZQDMHW-UHFFFAOYSA-N -1 3 270.398 3.080 20 0 CGADHM COc1ccc(CNCc2ccc([O-])c(Cl)c2)cc1F ZINC000733322625 572555130 /nfs/dbraw/zinc/55/51/30/572555130.db2.gz QOLNZANHVLWBAW-UHFFFAOYSA-N -1 3 295.741 3.483 20 0 CGADHM CC(C)CC[C@H](C)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC000735796839 572742116 /nfs/dbraw/zinc/74/21/16/572742116.db2.gz IOMUELLDERDHQH-VIFPVBQESA-N -1 3 294.790 3.152 20 0 CGADHM CC(C)CC[C@H](C)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC000735796839 572742119 /nfs/dbraw/zinc/74/21/19/572742119.db2.gz IOMUELLDERDHQH-VIFPVBQESA-N -1 3 294.790 3.152 20 0 CGADHM COc1ccccc1OC(=O)c1cnc(-c2ccccc2)[n-]1 ZINC000736067248 572767539 /nfs/dbraw/zinc/76/75/39/572767539.db2.gz HVSJPPSLUGGGQE-UHFFFAOYSA-N -1 3 294.310 3.305 20 0 CGADHM COc1ccccc1OC(=O)c1c[n-]c(-c2ccccc2)n1 ZINC000736067248 572767544 /nfs/dbraw/zinc/76/75/44/572767544.db2.gz HVSJPPSLUGGGQE-UHFFFAOYSA-N -1 3 294.310 3.305 20 0 CGADHM C[C@@H]1C[C@H](C)CN(c2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000736228010 572774568 /nfs/dbraw/zinc/77/45/68/572774568.db2.gz NBPADBQHYXNMCJ-AOOOYVTPSA-N -1 3 291.786 3.002 20 0 CGADHM C[C@@H]1C[C@H](C)CN(c2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000736228010 572774572 /nfs/dbraw/zinc/77/45/72/572774572.db2.gz NBPADBQHYXNMCJ-AOOOYVTPSA-N -1 3 291.786 3.002 20 0 CGADHM C[C@@H]1CCC[C@H]1Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736258846 572777246 /nfs/dbraw/zinc/77/72/46/572777246.db2.gz BRDJULLFOQRPLB-PRHODGIISA-N -1 3 277.759 3.121 20 0 CGADHM C[C@@H]1CCC[C@H]1Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736258846 572777250 /nfs/dbraw/zinc/77/72/50/572777250.db2.gz BRDJULLFOQRPLB-PRHODGIISA-N -1 3 277.759 3.121 20 0 CGADHM CCC(CC)Sc1ncc(-c2nnn[n-]2)cc1Cl ZINC000736352838 572783510 /nfs/dbraw/zinc/78/35/10/572783510.db2.gz ZXPHRVCEYUTOEN-UHFFFAOYSA-N -1 3 283.788 3.196 20 0 CGADHM CCC(CC)Sc1ncc(-c2nn[n-]n2)cc1Cl ZINC000736352838 572783514 /nfs/dbraw/zinc/78/35/14/572783514.db2.gz ZXPHRVCEYUTOEN-UHFFFAOYSA-N -1 3 283.788 3.196 20 0 CGADHM C[C@H]1c2ccccc2OCCN1[C@H](C(=O)[O-])c1ccccc1 ZINC000736840680 572821018 /nfs/dbraw/zinc/82/10/18/572821018.db2.gz QDPQXJREWBYGHA-GUYCJALGSA-N -1 3 297.354 3.268 20 0 CGADHM CC1=CCCN(C(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000356345285 572843292 /nfs/dbraw/zinc/84/32/92/572843292.db2.gz RLOCRSSKCLROIX-UHFFFAOYSA-N -1 3 267.328 3.338 20 0 CGADHM Cc1ccc(N(C)C(=O)c2c[n-]nc2-c2ccncc2)cc1 ZINC000746594045 572884065 /nfs/dbraw/zinc/88/40/65/572884065.db2.gz WRTHNECFZJQQGY-UHFFFAOYSA-N -1 3 292.342 3.057 20 0 CGADHM Cc1ccc(N(C)C(=O)c2cn[n-]c2-c2ccncc2)cc1 ZINC000746594045 572884071 /nfs/dbraw/zinc/88/40/71/572884071.db2.gz WRTHNECFZJQQGY-UHFFFAOYSA-N -1 3 292.342 3.057 20 0 CGADHM Cc1cc(C)c(/C=C\C(=O)[N-]OCc2cccnc2)cc1C ZINC000746945721 572901356 /nfs/dbraw/zinc/90/13/56/572901356.db2.gz IUYHWWMTDNIMQM-SREVYHEPSA-N -1 3 296.370 3.268 20 0 CGADHM O=C(OCC[C@H]1CCCC1=O)c1cc(Cl)c(Cl)[n-]1 ZINC000748169860 572965108 /nfs/dbraw/zinc/96/51/08/572965108.db2.gz NGOIBOONAMVPCV-SSDOTTSWSA-N -1 3 290.146 3.238 20 0 CGADHM CC(C)CON=C([O-])Nc1ncc(C(C)(C)C)s1 ZINC000750330807 573112183 /nfs/dbraw/zinc/11/21/83/573112183.db2.gz LPEBJKYHQPFJNF-UHFFFAOYSA-N -1 3 271.386 3.150 20 0 CGADHM CC(C)CO[N-]C(=O)Nc1ncc(C(C)(C)C)s1 ZINC000750330807 573112188 /nfs/dbraw/zinc/11/21/88/573112188.db2.gz LPEBJKYHQPFJNF-UHFFFAOYSA-N -1 3 271.386 3.150 20 0 CGADHM c1cc(-c2nn[n-]n2)ccc1N[C@@H]1C[C@@H]1C1CCCCC1 ZINC000823743007 599042081 /nfs/dbraw/zinc/04/20/81/599042081.db2.gz QANUBGFUUQJULQ-HUUCEWRRSA-N -1 3 283.379 3.247 20 0 CGADHM C[C@H](Nc1ccc(F)cc1-c1nn[n-]n1)C1CCCCC1 ZINC000820455147 599578161 /nfs/dbraw/zinc/57/81/61/599578161.db2.gz FEXCDEKZAWLISO-JTQLQIEISA-N -1 3 289.358 3.387 20 0 CGADHM CC[C@H](NCc1cccc(C(=O)[O-])c1)c1ccncc1 ZINC000263423808 598203995 /nfs/dbraw/zinc/20/39/95/598203995.db2.gz PVPGHWGAIDTQJW-HNNXBMFYSA-N -1 3 270.332 3.021 20 0 CGADHM COc1ccc(-c2nnn[n-]2)cc1CS[C@@H](C)C(C)C ZINC000821749264 607378340 /nfs/dbraw/zinc/37/83/40/607378340.db2.gz DBPANFOBTNZZBB-JTQLQIEISA-N -1 3 292.408 3.153 20 0 CGADHM COc1ccc(-c2nn[n-]n2)cc1CS[C@@H](C)C(C)C ZINC000821749264 607378342 /nfs/dbraw/zinc/37/83/42/607378342.db2.gz DBPANFOBTNZZBB-JTQLQIEISA-N -1 3 292.408 3.153 20 0 CGADHM C[C@@H](Nc1ccc(F)cc1-c1nn[n-]n1)c1cccs1 ZINC000820455093 599464857 /nfs/dbraw/zinc/46/48/57/599464857.db2.gz CPCKHPAQJGRZKE-MRVPVSSYSA-N -1 3 289.339 3.240 20 0 CGADHM C[C@@H](Nc1ccc(F)cc1-c1nnn[n-]1)c1cccs1 ZINC000820455093 599464856 /nfs/dbraw/zinc/46/48/56/599464856.db2.gz CPCKHPAQJGRZKE-MRVPVSSYSA-N -1 3 289.339 3.240 20 0 CGADHM Fc1ccc(N[C@H]2CCc3ccccc32)c(-c2nnn[n-]2)c1 ZINC000822779296 599468191 /nfs/dbraw/zinc/46/81/91/599468191.db2.gz VBFOUCOFGSDVSV-AWEZNQCLSA-N -1 3 295.321 3.105 20 0 CGADHM Fc1ccc(N[C@H]2CCc3ccccc32)c(-c2nn[n-]n2)c1 ZINC000822779296 599468193 /nfs/dbraw/zinc/46/81/93/599468193.db2.gz VBFOUCOFGSDVSV-AWEZNQCLSA-N -1 3 295.321 3.105 20 0 CGADHM C[C@H](Nc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1 ZINC000820456959 599543823 /nfs/dbraw/zinc/54/38/23/599543823.db2.gz XUVFDDDMCDTKBM-JTQLQIEISA-N -1 3 283.310 3.179 20 0 CGADHM C[C@H](Nc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000820456959 599543825 /nfs/dbraw/zinc/54/38/25/599543825.db2.gz XUVFDDDMCDTKBM-JTQLQIEISA-N -1 3 283.310 3.179 20 0 CGADHM C[C@H](Nc1ccc(F)cc1-c1nnn[n-]1)C1CCCCC1 ZINC000820455147 599578158 /nfs/dbraw/zinc/57/81/58/599578158.db2.gz FEXCDEKZAWLISO-JTQLQIEISA-N -1 3 289.358 3.387 20 0 CGADHM CN(Cc1ccccc1)Cc1ccc(F)cc1C(=O)[O-] ZINC000071264687 600082208 /nfs/dbraw/zinc/08/22/08/600082208.db2.gz SWCGSPRYQWTBMM-UHFFFAOYSA-N -1 3 273.307 3.156 20 0 CGADHM C[C@@H](NCCCCC(=O)[O-])c1ncc(-c2ccccc2)o1 ZINC000827734048 600743772 /nfs/dbraw/zinc/74/37/72/600743772.db2.gz BDYLKPAIXADMMN-GFCCVEGCSA-N -1 3 288.347 3.247 20 0 CGADHM O=C([O-])c1ccoc1CN1CCSC2(CCCCC2)C1 ZINC000833335766 601158382 /nfs/dbraw/zinc/15/83/82/601158382.db2.gz CEEMWTQRNZCXLJ-UHFFFAOYSA-N -1 3 295.404 3.230 20 0 CGADHM C/C(=C/CN(Cc1ccccc1F)C(C)C)C(=O)[O-] ZINC000825729183 601159661 /nfs/dbraw/zinc/15/96/61/601159661.db2.gz BKUROXKIBHADHA-WQLSENKSSA-N -1 3 265.328 3.067 20 0 CGADHM CCc1nc2c(s1)[C@@H](N(C)C/C=C(/C)C(=O)[O-])CCC2 ZINC000830322891 602054722 /nfs/dbraw/zinc/05/47/22/602054722.db2.gz SVMGHTVSQFGBLA-CUZBXDDWSA-N -1 3 294.420 3.046 20 0 CGADHM CCC(CC)SCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000825113564 607543862 /nfs/dbraw/zinc/54/38/62/607543862.db2.gz BGKYFLFMSYDCSB-UHFFFAOYSA-N -1 3 292.408 3.297 20 0 CGADHM CCC(CC)SCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000825113564 607543864 /nfs/dbraw/zinc/54/38/64/607543864.db2.gz BGKYFLFMSYDCSB-UHFFFAOYSA-N -1 3 292.408 3.297 20 0 CGADHM CC[C@@](C)(CC(=O)[O-])NCc1ncc(-c2cccs2)o1 ZINC000828672423 602219513 /nfs/dbraw/zinc/21/95/13/602219513.db2.gz RPOZPFDLOGAKQR-AWEZNQCLSA-N -1 3 294.376 3.136 20 0 CGADHM C[C@H]1c2cc(Cl)c(Cl)cc2CCN1CCC(=O)[O-] ZINC000828526806 602344003 /nfs/dbraw/zinc/34/40/03/602344003.db2.gz DLXDHMXUQGGXLO-QMMMGPOBSA-N -1 3 288.174 3.387 20 0 CGADHM C[C@@H](NCc1ccc(NC(=O)[O-])nc1)c1cccs1 ZINC000825503518 603532217 /nfs/dbraw/zinc/53/22/17/603532217.db2.gz VPLWTICOXUNIIA-SECBINFHSA-N -1 3 277.349 3.084 20 0 CGADHM C[C@H](NC(=O)[O-])[C@@H]1CCCN([C@@H](C)c2ccccc2F)C1 ZINC000825255955 604217545 /nfs/dbraw/zinc/21/75/45/604217545.db2.gz SNXKWHKJRWMCHN-RWMBFGLXSA-N -1 3 294.370 3.255 20 0 CGADHM C[C@@H](CCSc1ccccc1)N1CC[C@](F)(C(=O)[O-])C1 ZINC000827422118 604436374 /nfs/dbraw/zinc/43/63/74/604436374.db2.gz LQBYJIDVUXYXKS-SWLSCSKDSA-N -1 3 297.395 3.056 20 0 CGADHM C[C@@H]1C[C@H]1c1ccc(CN2CCC3(C[C@@H]3C(=O)[O-])CC2)o1 ZINC000405402413 604649396 /nfs/dbraw/zinc/64/93/96/604649396.db2.gz SBPANRNXQAIYCF-MRVWCRGKSA-N -1 3 289.375 3.090 20 0 CGADHM CC(C)CSCCCOc1ccccc1-c1nnn[n-]1 ZINC000824274889 607708331 /nfs/dbraw/zinc/70/83/31/607708331.db2.gz MLXQNERTXCHGRM-UHFFFAOYSA-N -1 3 292.408 3.025 20 0 CGADHM CC(C)CSCCCOc1ccccc1-c1nn[n-]n1 ZINC000824274889 607708334 /nfs/dbraw/zinc/70/83/34/607708334.db2.gz MLXQNERTXCHGRM-UHFFFAOYSA-N -1 3 292.408 3.025 20 0 CGADHM c1cc(-c2nn[n-]n2)ccc1N[C@@H]1CC12CCCCC2 ZINC000826514141 608195010 /nfs/dbraw/zinc/19/50/10/608195010.db2.gz IRGKUSSQZIOIBQ-CYBMUJFWSA-N -1 3 269.352 3.001 20 0 CGADHM Cc1nc(C(C)(C)C)sc1[C@H](C)NCCN(C)C(=O)[O-] ZINC000830704714 604955794 /nfs/dbraw/zinc/95/57/94/604955794.db2.gz PSSUYAQSORMFIF-VIFPVBQESA-N -1 3 299.440 3.009 20 0 CGADHM O=c1cc(C=Cc2cnn(C3CCC3)c2)nc(C2CC2)[n-]1 ZINC000899373838 620680314 /nfs/dbraw/zinc/68/03/14/620680314.db2.gz KGHRINPIVJRDOG-DAXSKMNVSA-N -1 3 282.347 3.152 20 0 CGADHM C[C@@H]1CC[C@@H](N[C@H](C(=O)[O-])c2cccnc2)c2ccccc21 ZINC000833605275 605142629 /nfs/dbraw/zinc/14/26/29/605142629.db2.gz YIZMBPCBEJTFQB-JLZZUVOBSA-N -1 3 296.370 3.436 20 0 CGADHM O=C([O-])NC1CCN(CCCc2ccccc2Cl)CC1 ZINC000834190128 605355186 /nfs/dbraw/zinc/35/51/86/605355186.db2.gz RODKMAVFVWTGDS-UHFFFAOYSA-N -1 3 296.798 3.005 20 0 CGADHM Cc1nc([C@H](C)NCCCN(C(=O)[O-])C(C)C)c(C)s1 ZINC000830708460 605501722 /nfs/dbraw/zinc/50/17/22/605501722.db2.gz ARPQNLWBKBWFRS-JTQLQIEISA-N -1 3 299.440 3.189 20 0 CGADHM Cc1ccc(CSc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822240002 606327331 /nfs/dbraw/zinc/32/73/31/606327331.db2.gz NYWFZZIOUAERIK-UHFFFAOYSA-N -1 3 282.372 3.467 20 0 CGADHM Cc1ccc(CSc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822240002 606327333 /nfs/dbraw/zinc/32/73/33/606327333.db2.gz NYWFZZIOUAERIK-UHFFFAOYSA-N -1 3 282.372 3.467 20 0 CGADHM CCC[C@H]1C[C@H]1Nc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000821039510 606420006 /nfs/dbraw/zinc/42/00/06/606420006.db2.gz CWDUISNRGUPHGO-IINYFYTJSA-N -1 3 294.362 3.015 20 0 CGADHM CCC[C@H]1C[C@H]1Nc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000821039510 606420009 /nfs/dbraw/zinc/42/00/09/606420009.db2.gz CWDUISNRGUPHGO-IINYFYTJSA-N -1 3 294.362 3.015 20 0 CGADHM Cc1cc(C)cc(NCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822197913 606642329 /nfs/dbraw/zinc/64/23/29/606642329.db2.gz UTHWOFMYMKEWCI-UHFFFAOYSA-N -1 3 279.347 3.096 20 0 CGADHM Cc1cc(C)cc(NCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822197913 606642330 /nfs/dbraw/zinc/64/23/30/606642330.db2.gz UTHWOFMYMKEWCI-UHFFFAOYSA-N -1 3 279.347 3.096 20 0 CGADHM CC(C)[C@H]1CCN(c2cc(Cl)ccc2-c2nnn[n-]2)C1 ZINC000820046208 606725694 /nfs/dbraw/zinc/72/56/94/606725694.db2.gz PXCPUQSBMSBAEE-JTQLQIEISA-N -1 3 291.786 3.002 20 0 CGADHM CC(C)[C@H]1CCN(c2cc(Cl)ccc2-c2nn[n-]n2)C1 ZINC000820046208 606725695 /nfs/dbraw/zinc/72/56/95/606725695.db2.gz PXCPUQSBMSBAEE-JTQLQIEISA-N -1 3 291.786 3.002 20 0 CGADHM c1ccc2nc(NCCC3CCC3)c(-c3nnn[n-]3)cc2c1 ZINC000823802025 606728885 /nfs/dbraw/zinc/72/88/85/606728885.db2.gz FPZIBKSPQFLPDM-UHFFFAOYSA-N -1 3 294.362 3.017 20 0 CGADHM c1ccc2nc(NCCC3CCC3)c(-c3nn[n-]n3)cc2c1 ZINC000823802025 606728886 /nfs/dbraw/zinc/72/88/86/606728886.db2.gz FPZIBKSPQFLPDM-UHFFFAOYSA-N -1 3 294.362 3.017 20 0 CGADHM CC[C@@H](C)CSCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820870767 607016962 /nfs/dbraw/zinc/01/69/62/607016962.db2.gz ZCLJQVDPWWMKTH-SECBINFHSA-N -1 3 280.372 3.285 20 0 CGADHM CC[C@@H](C)CSCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820870767 607016964 /nfs/dbraw/zinc/01/69/64/607016964.db2.gz ZCLJQVDPWWMKTH-SECBINFHSA-N -1 3 280.372 3.285 20 0 CGADHM C[C@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(F)(F)F ZINC000820548902 607231320 /nfs/dbraw/zinc/23/13/20/607231320.db2.gz HXNKLJGLMRVYND-YFKPBYRVSA-N -1 3 292.261 3.049 20 0 CGADHM C[C@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(F)(F)F ZINC000820548902 607231321 /nfs/dbraw/zinc/23/13/21/607231321.db2.gz HXNKLJGLMRVYND-YFKPBYRVSA-N -1 3 292.261 3.049 20 0 CGADHM COCC[C@H](C)Sc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826154139 607843812 /nfs/dbraw/zinc/84/38/12/607843812.db2.gz IWXYPIDOUBJWMD-QMMMGPOBSA-N -1 3 298.799 3.037 20 0 CGADHM COCC[C@H](C)Sc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826154139 607843813 /nfs/dbraw/zinc/84/38/13/607843813.db2.gz IWXYPIDOUBJWMD-QMMMGPOBSA-N -1 3 298.799 3.037 20 0 CGADHM CC[C@H](C)[C@@H](C)Nc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000825059092 608228343 /nfs/dbraw/zinc/22/83/43/608228343.db2.gz CUUNFUZTPABJPH-WDEREUQCSA-N -1 3 296.378 3.261 20 0 CGADHM CC[C@H](C)[C@@H](C)Nc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000825059092 608228345 /nfs/dbraw/zinc/22/83/45/608228345.db2.gz CUUNFUZTPABJPH-WDEREUQCSA-N -1 3 296.378 3.261 20 0 CGADHM C[C@@H](Nc1cccc(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824662533 609160680 /nfs/dbraw/zinc/16/06/80/609160680.db2.gz MKKGQOTZOGATDX-SNVBAGLBSA-N -1 3 283.310 3.179 20 0 CGADHM C[C@@H](Nc1cccc(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824662533 609160681 /nfs/dbraw/zinc/16/06/81/609160681.db2.gz MKKGQOTZOGATDX-SNVBAGLBSA-N -1 3 283.310 3.179 20 0 CGADHM Cc1cc(F)cc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826268431 609273862 /nfs/dbraw/zinc/27/38/62/609273862.db2.gz WWPCTOYBYVPOQJ-LLVKDONJSA-N -1 3 297.337 3.487 20 0 CGADHM Cc1cc(F)cc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826268431 609273863 /nfs/dbraw/zinc/27/38/63/609273863.db2.gz WWPCTOYBYVPOQJ-LLVKDONJSA-N -1 3 297.337 3.487 20 0 CGADHM c1ccc(C2CC2)c(CNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000393514160 609474422 /nfs/dbraw/zinc/47/44/22/609474422.db2.gz WHQHOFPJWZBCRQ-UHFFFAOYSA-N -1 3 291.358 3.356 20 0 CGADHM c1ccc(C2CC2)c(CNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000393514160 609474423 /nfs/dbraw/zinc/47/44/23/609474423.db2.gz WHQHOFPJWZBCRQ-UHFFFAOYSA-N -1 3 291.358 3.356 20 0 CGADHM Cc1ccccc1[C@H](C)Nc1nccc(C)c1-c1nnn[n-]1 ZINC000826305774 609527234 /nfs/dbraw/zinc/52/72/34/609527234.db2.gz IDGWWTJHLLPSQJ-LBPRGKRZSA-N -1 3 294.362 3.052 20 0 CGADHM Cc1ccccc1[C@H](C)Nc1nccc(C)c1-c1nn[n-]n1 ZINC000826305774 609527235 /nfs/dbraw/zinc/52/72/35/609527235.db2.gz IDGWWTJHLLPSQJ-LBPRGKRZSA-N -1 3 294.362 3.052 20 0 CGADHM Cc1ccc2c(c1)O[C@H](C)CN2C(=O)c1cccc(C)c1[O-] ZINC000175841213 617975648 /nfs/dbraw/zinc/97/56/48/617975648.db2.gz CVHJURRULPJDIM-CYBMUJFWSA-N -1 3 297.354 3.437 20 0 CGADHM Cc1cccc(OCCC(=O)[N-]OCc2ccccc2)c1 ZINC000070271322 617952926 /nfs/dbraw/zinc/95/29/26/617952926.db2.gz SKFQIHYEHOCGBI-UHFFFAOYSA-N -1 3 285.343 3.012 20 0 CGADHM O=C(OC[C@@H]1CCCCO1)c1cc(Cl)c(Cl)[n-]1 ZINC000097109460 618210581 /nfs/dbraw/zinc/21/05/81/618210581.db2.gz HYQVKGCLWQPMGO-ZETCQYMHSA-N -1 3 278.135 3.047 20 0 CGADHM CCCc1cc(C(=O)[N-]c2ccnc(Cl)c2F)no1 ZINC000891512812 618235276 /nfs/dbraw/zinc/23/52/76/618235276.db2.gz UJQNSDMBNDOSRI-UHFFFAOYSA-N -1 3 283.690 3.067 20 0 CGADHM CC[C@@H](COC(=O)c1cccc2[n-]c(C(F)F)nc21)OC ZINC000924085937 618940323 /nfs/dbraw/zinc/94/03/23/618940323.db2.gz YJHWQBNLXVDLRK-QMMMGPOBSA-N -1 3 298.289 3.082 20 0 CGADHM N#CC(=C([O-])C=Cc1ccccc1F)c1ccccn1 ZINC000048540337 619507500 /nfs/dbraw/zinc/50/75/00/619507500.db2.gz LNEFHNLIHOZHHA-YXVBKTCISA-N -1 3 266.275 3.110 20 0 CGADHM Fc1cccc2c1OCC[C@H]2[N-]c1nnc(C(F)F)o1 ZINC000896771528 620058591 /nfs/dbraw/zinc/05/85/91/620058591.db2.gz DDDPCPPMROQIBR-MRVPVSSYSA-N -1 3 285.225 3.082 20 0 CGADHM C[C@@H](OC(=O)c1cc(Cl)c(Cl)[n-]1)c1cnccn1 ZINC000751156177 620137203 /nfs/dbraw/zinc/13/72/03/620137203.db2.gz LANMYYZIIRRNSD-ZCFIWIBFSA-N -1 3 286.118 3.030 20 0 CGADHM C[C@H]1CC[C@@H](C(=O)[O-])CN1Cc1sccc1Cl ZINC000263526043 620323899 /nfs/dbraw/zinc/32/38/99/620323899.db2.gz UDALUPAWNRREKP-DTWKUNHWSA-N -1 3 273.785 3.087 20 0 CGADHM CCCn1ccc(CNC(=O)c2cc([O-])ccc2Cl)c1 ZINC000897540384 620386328 /nfs/dbraw/zinc/38/63/28/620386328.db2.gz QVMZLNUPHNINLU-UHFFFAOYSA-N -1 3 292.766 3.187 20 0 CGADHM CCCCCC[C@@H](C)CC(=O)NCc1nc(C)cc(=O)[n-]1 ZINC000898265871 620501552 /nfs/dbraw/zinc/50/15/52/620501552.db2.gz QSUHBPMKQSMYBL-GFCCVEGCSA-N -1 3 293.411 3.103 20 0 CGADHM CC(C)(C)c1cnc(CNC2CCC(C(=O)[O-])CC2)s1 ZINC000901604387 620951411 /nfs/dbraw/zinc/95/14/11/620951411.db2.gz OTXDDPQWCRGAKO-UHFFFAOYSA-N -1 3 296.436 3.174 20 0 CGADHM Cc1occc1CN[C@@H](CCC(=O)[O-])c1ccccc1 ZINC000901646313 620962214 /nfs/dbraw/zinc/96/22/14/620962214.db2.gz GSHVTKNUMXGQJW-HNNXBMFYSA-N -1 3 273.332 3.284 20 0 CGADHM C[C@]1(C(=O)[O-])CCCN(Cc2cnc(C3CCC3)s2)C1 ZINC000901694078 620991065 /nfs/dbraw/zinc/99/10/65/620991065.db2.gz FHCZYQMJRSNRMQ-HNNXBMFYSA-N -1 3 294.420 3.097 20 0 CGADHM CC1(C(=O)[O-])CC(N[C@@H](c2ccco2)c2ccccc2)C1 ZINC000902081912 621129393 /nfs/dbraw/zinc/12/93/93/621129393.db2.gz PEAUAQZNJQUNDM-GNHJJJEISA-N -1 3 285.343 3.212 20 0 CGADHM CC(C)[C@@H](NCc1cccc(C(=O)[O-])n1)c1ccccc1 ZINC000902083304 621129490 /nfs/dbraw/zinc/12/94/90/621129490.db2.gz VOZOKNCDPVBQPP-MRXNPFEDSA-N -1 3 284.359 3.267 20 0 CGADHM Cc1ccc([C@H](NCc2cccc(C(=O)[O-])n2)C2CC2)cc1 ZINC000902085493 621139643 /nfs/dbraw/zinc/13/96/43/621139643.db2.gz AGCJLAGQERZDAA-KRWDZBQOSA-N -1 3 296.370 3.329 20 0 CGADHM CCC[C@@]1(C)CCCN(Cc2cccc(C(=O)[O-])n2)C1 ZINC000902282401 621224206 /nfs/dbraw/zinc/22/42/06/621224206.db2.gz RUJHHFWTXPTBGA-INIZCTEOSA-N -1 3 276.380 3.182 20 0 CGADHM CCc1oc(CN[C@@H]2CCCC(F)(F)C2)cc1C(=O)[O-] ZINC000902309070 621248500 /nfs/dbraw/zinc/24/85/00/621248500.db2.gz SHCNYAHIXKLUNX-SECBINFHSA-N -1 3 287.306 3.208 20 0 CGADHM C[C@H](CNCc1cc(C(=O)[O-])co1)Sc1ccccc1 ZINC000902314803 621250473 /nfs/dbraw/zinc/25/04/73/621250473.db2.gz FZKCEJUMXGENQH-LLVKDONJSA-N -1 3 291.372 3.248 20 0 CGADHM C[C@@H]1CCc2ccccc2[C@H]1NCc1cccc(C(=O)[O-])n1 ZINC000902337289 621272032 /nfs/dbraw/zinc/27/20/32/621272032.db2.gz LPIMYUVIDCWALG-PXAZEXFGSA-N -1 3 296.370 3.193 20 0 CGADHM C[C@@H]1CCc2ccccc2[C@@H]1NCc1cccc(C(=O)[O-])n1 ZINC000902337291 621272504 /nfs/dbraw/zinc/27/25/04/621272504.db2.gz LPIMYUVIDCWALG-SJKOYZFVSA-N -1 3 296.370 3.193 20 0 CGADHM O=C([O-])c1ccc(CN[C@@H]2C[C@H]2C2CCCCC2)o1 ZINC000902424517 621312736 /nfs/dbraw/zinc/31/27/36/621312736.db2.gz RXTLEYYHWVQQHU-QWHCGFSZSA-N -1 3 263.337 3.036 20 0 CGADHM CCc1oc(CN2CCC3(CCC3)CC2)cc1C(=O)[O-] ZINC000902434005 621316785 /nfs/dbraw/zinc/31/67/85/621316785.db2.gz WAJJXBAMNVMEKA-UHFFFAOYSA-N -1 3 277.364 3.306 20 0 CGADHM C[C@H]1CCN(Cc2cc(C(=O)[O-])no2)CC12CCCCC2 ZINC000902439327 621320014 /nfs/dbraw/zinc/32/00/14/621320014.db2.gz YUXHGJJFTLYYTE-LBPRGKRZSA-N -1 3 292.379 3.165 20 0 CGADHM CN(Cc1ccc(/C=C/C(=O)[O-])o1)[C@H]1CCc2ccccc21 ZINC000902510357 621350530 /nfs/dbraw/zinc/35/05/30/621350530.db2.gz VSHQEXPDWAHZLS-KAMXEHQASA-N -1 3 297.354 3.497 20 0 CGADHM CC[C@@H](C)[C@@H](C(=O)[O-])N(CC)Cc1c(F)cccc1F ZINC000903596078 621774710 /nfs/dbraw/zinc/77/47/10/621774710.db2.gz QVXGROHDOOXCKA-YGRLFVJLSA-N -1 3 285.334 3.286 20 0 CGADHM CC[C@@H](c1ccc(F)cc1F)N1CC[C@H]2[C@@H](C1)[C@H]2C(=O)[O-] ZINC000903627635 621778230 /nfs/dbraw/zinc/77/82/30/621778230.db2.gz PKGPWNMEKHKIOH-FDEJFUCISA-N -1 3 295.329 3.068 20 0 CGADHM CC[C@H](NCc1ccc(C(=O)[O-])s1)c1ccncc1 ZINC000903678602 621786898 /nfs/dbraw/zinc/78/68/98/621786898.db2.gz PGWBJSOXRRFZFN-LBPRGKRZSA-N -1 3 276.361 3.082 20 0 CGADHM Cc1nc([C@H]2CCCN2CCC2(C(=O)[O-])CCC2)cs1 ZINC000903700623 621792579 /nfs/dbraw/zinc/79/25/79/621792579.db2.gz FFDIWUTUUBIHGQ-CYBMUJFWSA-N -1 3 294.420 3.233 20 0 CGADHM Cc1cccc(C)c1CN(C)Cc1ccoc1C(=O)[O-] ZINC000903943513 621839132 /nfs/dbraw/zinc/83/91/32/621839132.db2.gz BAEBTVWHRULDOE-UHFFFAOYSA-N -1 3 273.332 3.227 20 0 CGADHM CC(C)C[C@H](CNCc1nc2ccccc2o1)CC(=O)[O-] ZINC000903991061 621848328 /nfs/dbraw/zinc/84/83/28/621848328.db2.gz JKDZVJHHZRYHDT-LBPRGKRZSA-N -1 3 290.363 3.054 20 0 CGADHM Cc1ccc(-c2ccc(CNC[C@H](F)C(=O)[O-])s2)cc1 ZINC000904042074 621858780 /nfs/dbraw/zinc/85/87/80/621858780.db2.gz ACSVAXLQSHIPGW-ZDUSSCGKSA-N -1 3 293.363 3.236 20 0 CGADHM O=C([O-])C[C@H](CNCc1cscn1)C1CCCCCC1 ZINC000904026783 621859720 /nfs/dbraw/zinc/85/97/20/621859720.db2.gz KWCDTOODJMQNLP-CYBMUJFWSA-N -1 3 296.436 3.294 20 0 CGADHM [O-]c1cc(-c2ccc(O[C@H]3CCOC3)cc2)ccc1F ZINC000904753868 621962523 /nfs/dbraw/zinc/96/25/23/621962523.db2.gz MICDHDKTZSWWPA-AWEZNQCLSA-N -1 3 274.291 3.366 20 0 CGADHM Cc1cccc2c1CCC[C@@H]2NCc1ccc(C(=O)[O-])cn1 ZINC000905727179 622101094 /nfs/dbraw/zinc/10/10/94/622101094.db2.gz GOCOTAISDVWDLJ-KRWDZBQOSA-N -1 3 296.370 3.255 20 0 CGADHM CCCCC[C@@H](C)[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000013938679 622331459 /nfs/dbraw/zinc/33/14/59/622331459.db2.gz RQIIIEHUTGJGJQ-SNVBAGLBSA-N -1 3 291.363 3.212 20 0 CGADHM COc1cccc([O-])c1C(=O)N1CC(C2CCCCC2)C1 ZINC000908447145 622351247 /nfs/dbraw/zinc/35/12/47/622351247.db2.gz YTDZYTXAJPKLAN-UHFFFAOYSA-N -1 3 289.375 3.053 20 0 CGADHM COc1cccc([O-])c1C(=O)N1CCC[C@H](C2CCC2)C1 ZINC000912700646 622690062 /nfs/dbraw/zinc/69/00/62/622690062.db2.gz IUUOCRILSUZZRS-ZDUSSCGKSA-N -1 3 289.375 3.053 20 0 CGADHM CCCCc1noc([C@@H](C)OC(=O)c2ccc([O-])cc2)n1 ZINC000912864936 622707791 /nfs/dbraw/zinc/70/77/91/622707791.db2.gz SLSNZDBPGUSMIO-SNVBAGLBSA-N -1 3 290.319 3.036 20 0 CGADHM CCc1ccc(C(=O)N2CCC[C@H]2C(F)(F)F)c([O-])c1 ZINC000913019504 622727153 /nfs/dbraw/zinc/72/71/53/622727153.db2.gz COOCHMJVWQHTNM-LBPRGKRZSA-N -1 3 287.281 3.122 20 0 CGADHM CC[C@H]1CCCC[C@H]1C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000913356835 622762543 /nfs/dbraw/zinc/76/25/43/622762543.db2.gz FEDRREUYRCOPKJ-NWDGAFQWSA-N -1 3 299.378 3.022 20 0 CGADHM CC[C@H]1CCCC[C@H]1C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000913356835 622762549 /nfs/dbraw/zinc/76/25/49/622762549.db2.gz FEDRREUYRCOPKJ-NWDGAFQWSA-N -1 3 299.378 3.022 20 0 CGADHM O=C(/C=C/c1cccc(O)c1)Nc1ccc(Cl)cc1[O-] ZINC000156886952 622851056 /nfs/dbraw/zinc/85/10/56/622851056.db2.gz QGQKJHWAKYNYFO-QPJJXVBHSA-N -1 3 289.718 3.403 20 0 CGADHM CCOCCC1(C(=O)[N-]OC[C@H](C)CC)CCCC1 ZINC000816977106 625600298 /nfs/dbraw/zinc/60/02/98/625600298.db2.gz RCSMFMAIXFWBEB-CYBMUJFWSA-N -1 3 271.401 3.067 20 0 CGADHM Cc1cccc([C@H](C)[N-]C(=O)C(F)(F)C(F)F)c1 ZINC000227342561 623016703 /nfs/dbraw/zinc/01/67/03/623016703.db2.gz ZTXVRZKBYHGFGF-QMMMGPOBSA-N -1 3 263.234 3.073 20 0 CGADHM CC(C)c1noc(CO[N-]C(=O)CCC2CCCCC2)n1 ZINC000172413146 623247888 /nfs/dbraw/zinc/24/78/88/623247888.db2.gz SDDUPUDYODEIMB-UHFFFAOYSA-N -1 3 295.383 3.101 20 0 CGADHM Cc1ccccc1OCCCOC(=O)c1ccc([O-])cc1 ZINC000063841470 623364629 /nfs/dbraw/zinc/36/46/29/623364629.db2.gz AHOUXDVUUHPIDB-UHFFFAOYSA-N -1 3 286.327 3.327 20 0 CGADHM O=C(NC[C@H]1C=CCC1)c1cc2sccc2c([O-])c1 ZINC000914286252 623701697 /nfs/dbraw/zinc/70/16/97/623701697.db2.gz YCUKMSUYNPNVTM-JTQLQIEISA-N -1 3 273.357 3.303 20 0 CGADHM CC(C)CO[N-]C(=O)CCCOc1ccccc1Cl ZINC000153307992 623844985 /nfs/dbraw/zinc/84/49/85/623844985.db2.gz ZNUWLFPLBZXHJP-UHFFFAOYSA-N -1 3 285.771 3.203 20 0 CGADHM CC(C)CO[N-]C(=O)CCCCC(=O)c1ccccc1 ZINC000153317445 623849133 /nfs/dbraw/zinc/84/91/33/623849133.db2.gz CIALYMLLYCSPPO-UHFFFAOYSA-N -1 3 277.364 3.134 20 0 CGADHM Cc1ccsc1CCCC(=O)[N-]OCC(C)C ZINC000153495234 623907341 /nfs/dbraw/zinc/90/73/41/623907341.db2.gz SPEFCDWZRDGJEP-UHFFFAOYSA-N -1 3 255.383 3.083 20 0 CGADHM CC/C=C\CCOC(=O)c1cc(-c2ccco2)[n-]n1 ZINC000918507271 624354637 /nfs/dbraw/zinc/35/46/37/624354637.db2.gz IXPBKFHPCYVSDY-ARJAWSKDSA-N -1 3 260.293 3.183 20 0 CGADHM CC/C=C\CCOC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000918507271 624354641 /nfs/dbraw/zinc/35/46/41/624354641.db2.gz IXPBKFHPCYVSDY-ARJAWSKDSA-N -1 3 260.293 3.183 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])C(F)(F)c1ccccc1 ZINC000174888556 624430352 /nfs/dbraw/zinc/43/03/52/624430352.db2.gz YEWIYQOTCBOKFD-UHFFFAOYSA-N -1 3 281.233 3.262 20 0 CGADHM CC(C)c1nc(COC(=O)c2cc3ccsc3[n-]2)no1 ZINC000920505842 624510039 /nfs/dbraw/zinc/51/00/39/624510039.db2.gz SHKFCFOODUKSDM-UHFFFAOYSA-N -1 3 291.332 3.093 20 0 CGADHM C[N@H+](Cc1ccccc1[O-])Cc1cccc(Cl)c1[O-] ZINC000179770585 624683038 /nfs/dbraw/zinc/68/30/38/624683038.db2.gz ZOQLUYWJERKSOG-UHFFFAOYSA-N -1 3 277.751 3.383 20 0 CGADHM C[N@@H+](Cc1ccccc1[O-])Cc1cccc(Cl)c1[O-] ZINC000179770585 624683043 /nfs/dbraw/zinc/68/30/43/624683043.db2.gz ZOQLUYWJERKSOG-UHFFFAOYSA-N -1 3 277.751 3.383 20 0 CGADHM O=C(CSC(F)(F)F)Nc1ccc(Cl)cc1[O-] ZINC000754487435 626573329 /nfs/dbraw/zinc/57/33/29/626573329.db2.gz HYDSPOVMOSDQAG-UHFFFAOYSA-N -1 3 285.674 3.237 20 0 CGADHM Cc1cc(=O)[n-]c(CN(C)[C@@H](C)c2ccc(Cl)cc2)n1 ZINC000754797253 626587801 /nfs/dbraw/zinc/58/78/01/626587801.db2.gz FCHKTSFCBODXPY-NSHDSACASA-N -1 3 291.782 3.337 20 0 CGADHM CC(C)CC1(C(=O)[N-]OCc2ccccc2)CCC1 ZINC000756906614 626740445 /nfs/dbraw/zinc/74/04/45/626740445.db2.gz RDPKZWLRDRPJAY-UHFFFAOYSA-N -1 3 261.365 3.451 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)C[C@@H](c1ccc(O)cc1)C1CC1 ZINC000839777107 626787312 /nfs/dbraw/zinc/78/73/12/626787312.db2.gz QUEWRXVDJNHQNV-MLGOLLRUSA-N -1 3 291.391 3.370 20 0 CGADHM O=C(CCC1CCCCC1)[N-]OCC[C@@H]1CCCCO1 ZINC000758764278 626858882 /nfs/dbraw/zinc/85/88/82/626858882.db2.gz YNUFPGMOOSMCCT-HNNXBMFYSA-N -1 3 283.412 3.354 20 0 CGADHM COc1ccc(COC(=O)c2ccc([O-])cc2)cc1Cl ZINC000763614443 627170950 /nfs/dbraw/zinc/17/09/50/627170950.db2.gz XHFZZPRDILHSMB-UHFFFAOYSA-N -1 3 292.718 3.411 20 0 CGADHM O=c1ccnc(C=Cc2cc3cc(F)ccc3o2)[n-]1 ZINC000764442917 627207729 /nfs/dbraw/zinc/20/77/29/627207729.db2.gz SAFLMGHDCCPDKF-RQOWECAXSA-N -1 3 256.236 3.238 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])C(F)(F)c1ccccc1F ZINC000765885684 627277395 /nfs/dbraw/zinc/27/73/95/627277395.db2.gz QEZZMKXEIWNEBY-UHFFFAOYSA-N -1 3 299.223 3.401 20 0 CGADHM CCSc1cccc(C=Cc2nccc(=O)[n-]2)c1 ZINC000769740304 627575379 /nfs/dbraw/zinc/57/53/79/627575379.db2.gz APVZWLOVFRCMEV-SREVYHEPSA-N -1 3 258.346 3.465 20 0 CGADHM CCCCCC[C@H](C)[N-]S(=O)(=O)c1ccc(C)o1 ZINC000773283345 627871284 /nfs/dbraw/zinc/87/12/84/627871284.db2.gz SYRUGZDFYCMFAQ-NSHDSACASA-N -1 3 273.398 3.225 20 0 CGADHM Cc1ccccc1[C@@H](C)CC(=O)[N-]OC1CCCC1 ZINC000774868635 628044238 /nfs/dbraw/zinc/04/42/38/628044238.db2.gz WWOPRBIIGSLHRU-ZDUSSCGKSA-N -1 3 261.365 3.479 20 0 CGADHM Cc1cccc(F)c1NC(=O)c1nnc2ccccc2c1[O-] ZINC000777830250 628301577 /nfs/dbraw/zinc/30/15/77/628301577.db2.gz WLSIZFCXNUWEIA-UHFFFAOYSA-N -1 3 297.289 3.035 20 0 CGADHM O=C(CCc1ccsc1)[N-]OC1CCCCC1 ZINC000777960740 628314440 /nfs/dbraw/zinc/31/44/40/628314440.db2.gz YVIJKQCYNYOMCP-UHFFFAOYSA-N -1 3 253.367 3.061 20 0 CGADHM O=C(CCc1c[nH]c2ccccc12)[N-]OC1CCCCC1 ZINC000777961790 628315385 /nfs/dbraw/zinc/31/53/85/628315385.db2.gz NAWDHHOMMGTVDO-UHFFFAOYSA-N -1 3 286.375 3.481 20 0 CGADHM O=C(Cc1cccc(Cl)c1)[N-]OC1CCCCC1 ZINC000777962804 628315869 /nfs/dbraw/zinc/31/58/69/628315869.db2.gz ZURHVGPDPIEMNB-UHFFFAOYSA-N -1 3 267.756 3.263 20 0 CGADHM C[C@@H](CC(=O)[N-]OCCC(F)(F)F)CC(C)(C)C ZINC000779325259 628406611 /nfs/dbraw/zinc/40/66/11/628406611.db2.gz JSQMMGJXOMMJGO-VIFPVBQESA-N -1 3 269.307 3.449 20 0 CGADHM O=C1[N-]C(=O)C(=Cc2cscc2C(F)(F)F)S1 ZINC000874928920 634653814 /nfs/dbraw/zinc/65/38/14/634653814.db2.gz ULCDZSZVQKCOIJ-LZCJLJQNSA-N -1 3 279.264 3.091 20 0 CGADHM Cc1ccc(CC(=O)[N-]OCCCc2ccsc2)cc1 ZINC000782947763 628669225 /nfs/dbraw/zinc/66/92/25/628669225.db2.gz JUDHCOAYZCQMQK-UHFFFAOYSA-N -1 3 289.400 3.280 20 0 CGADHM Cc1ccc(COC(=O)c2cc3occc3[n-]2)cc1 ZINC000786030406 628908536 /nfs/dbraw/zinc/90/85/36/628908536.db2.gz FAKQZLMVQKKVIJ-UHFFFAOYSA-N -1 3 255.273 3.426 20 0 CGADHM COc1ccc(COC(=O)c2cc3occc3[n-]2)cc1F ZINC000786030317 628908798 /nfs/dbraw/zinc/90/87/98/628908798.db2.gz OXJUDHMYXPTWGL-UHFFFAOYSA-N -1 3 289.262 3.266 20 0 CGADHM CSCCOC(=O)c1cc2sccc2c([O-])c1 ZINC000786140889 628916378 /nfs/dbraw/zinc/91/63/78/628916378.db2.gz RVLMDNDBLSFBCG-UHFFFAOYSA-N -1 3 268.359 3.127 20 0 CGADHM CCc1ccc(C(=O)Nc2ccc(Cl)nc2)c([O-])c1 ZINC000786729464 628960130 /nfs/dbraw/zinc/96/01/30/628960130.db2.gz ZCAPGRGICWGWDM-UHFFFAOYSA-N -1 3 276.723 3.255 20 0 CGADHM CN(Cc1ccco1)C(=O)c1cc2sccc2c([O-])c1 ZINC000788261195 629043477 /nfs/dbraw/zinc/04/34/77/629043477.db2.gz JQCFEZJSALKYOB-UHFFFAOYSA-N -1 3 287.340 3.472 20 0 CGADHM Cc1ccc(CC(=O)[N-]OCCCCOC(C)(C)C)cc1 ZINC000788785841 629081163 /nfs/dbraw/zinc/08/11/63/629081163.db2.gz GLZUGUVQBHUHBR-UHFFFAOYSA-N -1 3 293.407 3.181 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2cccc(C(C)(C)O)c2)c1 ZINC000789934529 629175353 /nfs/dbraw/zinc/17/53/53/629175353.db2.gz JNXCKXJAINOTAW-UHFFFAOYSA-N -1 3 285.343 3.180 20 0 CGADHM O=C(Nc1ccc(F)nc1)c1cc([O-])c2ccccc2c1 ZINC000792237361 629351832 /nfs/dbraw/zinc/35/18/32/629351832.db2.gz ZYOVBZNMTYMSEJ-UHFFFAOYSA-N -1 3 282.274 3.332 20 0 CGADHM O=c1ccnc(C=Cc2ccc3c(c2)CCCC3)[n-]1 ZINC000792883406 629390933 /nfs/dbraw/zinc/39/09/33/629390933.db2.gz DIBWLWPOYLQYAI-VURMDHGXSA-N -1 3 252.317 3.231 20 0 CGADHM CSCCO[N-]C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000794188760 629520778 /nfs/dbraw/zinc/52/07/78/629520778.db2.gz XCGGYYPFDSPREU-UHFFFAOYSA-N -1 3 295.448 3.328 20 0 CGADHM CCC[C@H](CC)SCCC[N-]C(=O)C(F)(F)F ZINC000794485873 629545904 /nfs/dbraw/zinc/54/59/04/629545904.db2.gz MECFDWXDDLAWDO-VIFPVBQESA-N -1 3 271.348 3.367 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)CCCOCc1ccccc1 ZINC000794848305 629587731 /nfs/dbraw/zinc/58/77/31/629587731.db2.gz APXMXEBDYLRCNL-AWEZNQCLSA-N -1 3 279.380 3.077 20 0 CGADHM CO[C@H]1CC[C@@H](C)N(Cc2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC000864054025 629749053 /nfs/dbraw/zinc/74/90/53/629749053.db2.gz OAAKOEDJRHURON-PWSUYJOCSA-N -1 3 297.782 3.038 20 0 CGADHM Cc1cc2occ(CC(=O)[N-]OC3CCC3)c2cc1C ZINC000836798242 634805152 /nfs/dbraw/zinc/80/51/52/634805152.db2.gz JYEYJDDGDDCBHZ-UHFFFAOYSA-N -1 3 273.332 3.192 20 0 CGADHM CC[C@@](C)(CNC(=O)c1cc2sccc2c([O-])c1)OC ZINC000836823238 634808814 /nfs/dbraw/zinc/80/88/14/634808814.db2.gz HYBAMVRPBVWJBH-HNNXBMFYSA-N -1 3 293.388 3.152 20 0 CGADHM O=C(OC[C@@H]1Cc2ccccc21)c1cc(-c2ccco2)[n-]n1 ZINC000803271534 630459933 /nfs/dbraw/zinc/45/99/33/630459933.db2.gz AATXGHADLDCIDQ-LBPRGKRZSA-N -1 3 294.310 3.166 20 0 CGADHM O=C(OC[C@@H]1Cc2ccccc21)c1cc(-c2ccco2)n[n-]1 ZINC000803271534 630459935 /nfs/dbraw/zinc/45/99/35/630459935.db2.gz AATXGHADLDCIDQ-LBPRGKRZSA-N -1 3 294.310 3.166 20 0 CGADHM O=C(CCCc1ccc(Cl)cc1)[N-]OC1CCC1 ZINC000812788429 631308150 /nfs/dbraw/zinc/30/81/50/631308150.db2.gz WVZHCKICQFAABN-UHFFFAOYSA-N -1 3 267.756 3.263 20 0 CGADHM C[C@@H]1C[C@@H](CC(=O)[N-]OC2CCC2)CC(C)(C)C1 ZINC000812795642 631313292 /nfs/dbraw/zinc/31/32/92/631313292.db2.gz GHUMGUSVJLIYTE-NEPJUHHUSA-N -1 3 253.386 3.439 20 0 CGADHM CC(C)[C@H](CC(=O)[N-]OC1CCC1)c1ccccc1 ZINC000812795539 631313441 /nfs/dbraw/zinc/31/34/41/631313441.db2.gz BKEDZIZEHOUYKP-HNNXBMFYSA-N -1 3 261.365 3.417 20 0 CGADHM [O-]c1ccc(F)c(CN2CCC[C@@H]2C2CC2)c1F ZINC000816503814 631996040 /nfs/dbraw/zinc/99/60/40/631996040.db2.gz NIMPTNIFNVWEHB-GFCCVEGCSA-N -1 3 253.292 3.045 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)C1(Cc2ccccc2)CC1 ZINC000816979656 632068342 /nfs/dbraw/zinc/06/83/42/632068342.db2.gz UIHPNGFNDNZJFO-ZDUSSCGKSA-N -1 3 261.365 3.103 20 0 CGADHM CC[C@H](Cc1ccccc1)N(C)C(=O)c1ccc(N)cc1[O-] ZINC000817952298 632248069 /nfs/dbraw/zinc/24/80/69/632248069.db2.gz PCRNXOQBCHLSAI-OAHLLOKOSA-N -1 3 298.386 3.068 20 0 CGADHM C[C@H](CC1CCCCC1)NC(=O)c1ccc(N)cc1[O-] ZINC000817996780 632276316 /nfs/dbraw/zinc/27/63/16/632276316.db2.gz IOYGNNAXDRSQSP-LLVKDONJSA-N -1 3 276.380 3.063 20 0 CGADHM CC1(C)CC[C@H](OC(=O)Cc2ccc([O-])c(F)c2)C1 ZINC000820726023 632670251 /nfs/dbraw/zinc/67/02/51/632670251.db2.gz NELQHYZVQGDOSJ-NSHDSACASA-N -1 3 266.312 3.196 20 0 CGADHM CCCCCCO[C@H](C)C(=O)Nc1cccc([O-])c1F ZINC000840406750 632682050 /nfs/dbraw/zinc/68/20/50/632682050.db2.gz WRHXPJQZJKFEGR-LLVKDONJSA-N -1 3 283.343 3.455 20 0 CGADHM O=C(C[C@H]1CCCC1(F)F)[N-]Oc1ccc(F)cc1 ZINC000824622954 633265524 /nfs/dbraw/zinc/26/55/24/633265524.db2.gz NEUOAFZJVBYZKX-SECBINFHSA-N -1 3 273.254 3.061 20 0 CGADHM CC(C)O[N-]C(=O)CCc1ccc(C(F)F)cc1 ZINC000868659675 633349200 /nfs/dbraw/zinc/34/92/00/633349200.db2.gz ZVFKOPHCMWUYCK-UHFFFAOYSA-N -1 3 257.280 3.013 20 0 CGADHM CC1(C)[C@H](CNCc2c(F)ccc([O-])c2F)C1(F)F ZINC000827511087 633495421 /nfs/dbraw/zinc/49/54/21/633495421.db2.gz NAESXGZLERRIJA-JTQLQIEISA-N -1 3 277.261 3.051 20 0 CGADHM C[C@@]1(CC(=O)Nc2cccc([O-])c2F)CC1(Cl)Cl ZINC000827973243 633542724 /nfs/dbraw/zinc/54/27/24/633542724.db2.gz HDMRGZFRPAWOHX-LLVKDONJSA-N -1 3 292.137 3.444 20 0 CGADHM O=C(C[C@H]1CCC(F)(F)C1)[N-]OCCCC(F)(F)F ZINC000871216135 633729855 /nfs/dbraw/zinc/72/98/55/633729855.db2.gz RJSIRBQBLZDRDW-MRVPVSSYSA-N -1 3 289.244 3.202 20 0 CGADHM CC1(CC(=O)[N-]OCCCC(F)(F)F)CCCC1 ZINC000871215851 633730454 /nfs/dbraw/zinc/73/04/54/633730454.db2.gz ILSSOPKOKSWFFT-UHFFFAOYSA-N -1 3 267.291 3.347 20 0 CGADHM CC(C)C[C@@H](C)C(=O)[N-]OCCCC(F)(F)F ZINC000871215072 633730938 /nfs/dbraw/zinc/73/09/38/633730938.db2.gz MYNTYTJZJPSONV-SECBINFHSA-N -1 3 255.280 3.059 20 0 CGADHM C/C(=C\C(=O)[N-]OCCCC(F)(F)F)c1ccco1 ZINC000871217335 633731451 /nfs/dbraw/zinc/73/14/51/633731451.db2.gz UJJXIOWYRFWLJT-CMDGGOBGSA-N -1 3 277.242 3.073 20 0 CGADHM CCCC[C@](C)(F)C(=O)Nc1cc(F)ccc1[O-] ZINC000831256126 633934522 /nfs/dbraw/zinc/93/45/22/633934522.db2.gz JPJQKROQQBEEMF-ZDUSSCGKSA-N -1 3 257.280 3.388 20 0 CGADHM C[C@H](N[C@H]1C[C@@H](C)n2ccnc21)c1cccc([O-])c1F ZINC000872076855 634000297 /nfs/dbraw/zinc/00/02/97/634000297.db2.gz UNQQBPLVIWTVSF-SCVCMEIPSA-N -1 3 275.327 3.084 20 0 CGADHM Cc1nccnc1[C@@H](C)N[C@@H](C)c1cccc([O-])c1F ZINC000872130800 634052006 /nfs/dbraw/zinc/05/20/06/634052006.db2.gz MEGUNDQWZCTAHN-GXSJLCMTSA-N -1 3 275.327 3.042 20 0 CGADHM CC1(C)CO[C@H](CNC(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000832802247 634099210 /nfs/dbraw/zinc/09/92/10/634099210.db2.gz JHJNWEXQOBPBAX-AWEZNQCLSA-N -1 3 299.370 3.090 20 0 CGADHM COC(=O)Nc1ccc(C(=O)O[C@@H](C)CC(C)C)cc1[O-] ZINC000837554925 634932524 /nfs/dbraw/zinc/93/25/24/634932524.db2.gz JTSCPWCHYVLOBR-JTQLQIEISA-N -1 3 295.335 3.162 20 0 CGADHM CC(C)CC(C)(C)C(=O)OCc1cc(=O)[n-]c(C2CC2)n1 ZINC000837570148 634937185 /nfs/dbraw/zinc/93/71/85/634937185.db2.gz UXJDTVPAVREZBP-UHFFFAOYSA-N -1 3 292.379 3.175 20 0 CGADHM CSc1cc(C)ccc1[N-]C(=S)NC(C)C ZINC000840856860 635066344 /nfs/dbraw/zinc/06/63/44/635066344.db2.gz NDMMMQDVQFQDTD-UHFFFAOYSA-N -1 3 254.424 3.412 20 0 CGADHM CCN(C)c1ccccc1CNCc1ccc(C(=O)[O-])cc1 ZINC000840994531 635100078 /nfs/dbraw/zinc/10/00/78/635100078.db2.gz RKPWYAJKVXYBFL-UHFFFAOYSA-N -1 3 298.386 3.131 20 0 CGADHM [O-]c1ccc(F)c(CN2CCC(CCF)CC2)c1F ZINC000877674618 635141599 /nfs/dbraw/zinc/14/15/99/635141599.db2.gz SZYLKYQINAQAHB-UHFFFAOYSA-N -1 3 273.298 3.242 20 0 CGADHM CCOc1ccc(NCc2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC000841693607 635214197 /nfs/dbraw/zinc/21/41/97/635214197.db2.gz RMDDDFOPPICAAC-UHFFFAOYSA-N -1 3 285.347 3.070 20 0 CGADHM Cc1ccc(CC(=O)[N-]OC[C@H]2CCC(F)(F)C2)cc1 ZINC000842026165 635258273 /nfs/dbraw/zinc/25/82/73/635258273.db2.gz IKZZFEQDYALGRK-ZDUSSCGKSA-N -1 3 283.318 3.021 20 0 CGADHM COc1ccccc1CCCO[N-]C(=O)CC(C)(C)C ZINC000842060736 635269854 /nfs/dbraw/zinc/26/98/54/635269854.db2.gz CQLOLRMPSGKCCI-UHFFFAOYSA-N -1 3 279.380 3.112 20 0 CGADHM CC(C)(C)CC(=O)[N-]OCc1nc(Cl)ccc1Cl ZINC000842061501 635270868 /nfs/dbraw/zinc/27/08/68/635270868.db2.gz LZKNVDNIILMAAT-UHFFFAOYSA-N -1 3 291.178 3.372 20 0 CGADHM Cc1ccc(F)cc1CO[N-]C(=O)CC(C)(C)C ZINC000842061711 635271042 /nfs/dbraw/zinc/27/10/42/635271042.db2.gz OHISQQKVUVJZPL-UHFFFAOYSA-N -1 3 253.317 3.118 20 0 CGADHM CC(C)(C)CC(=O)[N-]OCc1ccccc1OC(F)F ZINC000842063653 635272298 /nfs/dbraw/zinc/27/22/98/635272298.db2.gz PCICHRIXNHPWNX-UHFFFAOYSA-N -1 3 287.306 3.272 20 0 CGADHM Cc1c(NCc2c(F)ccc([O-])c2F)n[nH]c1C(C)C ZINC000843426473 635669768 /nfs/dbraw/zinc/66/97/68/635669768.db2.gz ZEZXPVGUKBQOER-UHFFFAOYSA-N -1 3 281.306 3.437 20 0 CGADHM CC(C)(CC(=O)[N-]OCc1ccc(F)cc1)CC(F)F ZINC000879471340 635793280 /nfs/dbraw/zinc/79/32/80/635793280.db2.gz VZVVPXHGPUABRN-UHFFFAOYSA-N -1 3 289.297 3.445 20 0 CGADHM CCON(C(=O)c1ccc(C(C)C)cc1[O-])C(C)C ZINC000844078138 635815120 /nfs/dbraw/zinc/81/51/20/635815120.db2.gz QOAPTVWBHOCYEY-UHFFFAOYSA-N -1 3 265.353 3.318 20 0 CGADHM Cc1cccc([O-])c1C(=O)N[C@H]1CCSC(C)(C)C1 ZINC000888792087 635879991 /nfs/dbraw/zinc/87/99/91/635879991.db2.gz DCQAJEWGKGYSNG-NSHDSACASA-N -1 3 279.405 3.105 20 0 CGADHM CCc1nc(SCc2nc(C)cc(=O)[n-]2)sc1C ZINC000845325631 636022791 /nfs/dbraw/zinc/02/27/91/636022791.db2.gz UEIFDTNBQGIDHK-UHFFFAOYSA-N -1 3 281.406 3.110 20 0 CGADHM O=C(NC[C@@H]1C=CCC1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000881498784 636120198 /nfs/dbraw/zinc/12/01/98/636120198.db2.gz NIXNXVPAXQHTNU-SECBINFHSA-N -1 3 285.265 3.107 20 0 CGADHM Cc1ccc(C(=O)Nc2cccc(-c3cn[nH]c3)c2)c([O-])c1 ZINC000129559482 636299665 /nfs/dbraw/zinc/29/96/65/636299665.db2.gz ZLPXQUFELOEUQZ-UHFFFAOYSA-N -1 3 293.326 3.343 20 0 CGADHM CCCCCC[C@H](CC)C(=O)Nc1nc[n-]c1C(=O)OC ZINC000847016519 636311158 /nfs/dbraw/zinc/31/11/58/636311158.db2.gz DBDXWYJCLUZTCI-NSHDSACASA-N -1 3 295.383 3.131 20 0 CGADHM CCCCCC[C@H](CC)C(=O)Nc1[n-]cnc1C(=O)OC ZINC000847016519 636311161 /nfs/dbraw/zinc/31/11/61/636311161.db2.gz DBDXWYJCLUZTCI-NSHDSACASA-N -1 3 295.383 3.131 20 0 CGADHM CCCCCC[C@@H](C)CC(=O)Nc1nc[n-]c1C(=O)OC ZINC000847017484 636311408 /nfs/dbraw/zinc/31/14/08/636311408.db2.gz LXGIAILFQAWEHG-LLVKDONJSA-N -1 3 295.383 3.131 20 0 CGADHM CCCCCC[C@@H](C)CC(=O)Nc1[n-]cnc1C(=O)OC ZINC000847017484 636311420 /nfs/dbraw/zinc/31/14/20/636311420.db2.gz LXGIAILFQAWEHG-LLVKDONJSA-N -1 3 295.383 3.131 20 0 CGADHM O=C(Cc1cccc2ccccc21)[N-]OC1CCCC1 ZINC000135139627 637091092 /nfs/dbraw/zinc/09/10/92/637091092.db2.gz GJNXMXJOGBZTOX-UHFFFAOYSA-N -1 3 269.344 3.373 20 0 CGADHM O=C(Cc1ccc(Cl)cc1)[N-]OCc1ccccc1 ZINC000008096682 637530429 /nfs/dbraw/zinc/53/04/29/637530429.db2.gz XQTXKRZDKWBJCM-UHFFFAOYSA-N -1 3 275.735 3.131 20 0 CGADHM CC[C@@H](CSCc1nc(C)cc(=O)[n-]1)CC(F)F ZINC000853769863 637914984 /nfs/dbraw/zinc/91/49/84/637914984.db2.gz JOZCSQPIGAQNBR-SECBINFHSA-N -1 3 276.352 3.405 20 0 CGADHM Cc1ccc(C(=O)N2CC[C@@H](O)c3ccccc32)c([O-])c1C ZINC000889264011 637992357 /nfs/dbraw/zinc/99/23/57/637992357.db2.gz MBWLZVWRFXSATM-MRXNPFEDSA-N -1 3 297.354 3.093 20 0 CGADHM O=C(C[C@H](c1ccc(O)cc1)C1CC1)[N-]Oc1ccccc1 ZINC000854535528 638067806 /nfs/dbraw/zinc/06/78/06/638067806.db2.gz APXNRBHGPPAIBP-KRWDZBQOSA-N -1 3 297.354 3.386 20 0 CGADHM COc1ccc(SCCC(=O)[N-]OCC2CCC2)cc1 ZINC000856344127 638346003 /nfs/dbraw/zinc/34/60/03/638346003.db2.gz BXWIONWMDFLKIQ-UHFFFAOYSA-N -1 3 295.404 3.025 20 0 CGADHM O=C([N-]OCCC1CC1)c1c(F)ccc(F)c1Cl ZINC000857269516 638485501 /nfs/dbraw/zinc/48/55/01/638485501.db2.gz UYJUFZFGIHEOPL-UHFFFAOYSA-N -1 3 275.682 3.080 20 0 CGADHM CCO[C@@H](COC(=O)c1cccc(Cl)c1[O-])C1CC1 ZINC000859625215 639177201 /nfs/dbraw/zinc/17/72/01/639177201.db2.gz OMMIDAVCOKHDHW-LBPRGKRZSA-N -1 3 284.739 3.018 20 0 CGADHM O=C(CCc1ccc(Cl)c(F)c1)[N-]OC1CCC1 ZINC000861880513 639624509 /nfs/dbraw/zinc/62/45/09/639624509.db2.gz DIVVTXFIIMAKBV-UHFFFAOYSA-N -1 3 271.719 3.012 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])c1cnn(C2CCC2)c1 ZINC000935016495 639731444 /nfs/dbraw/zinc/73/14/44/639731444.db2.gz JMRPXCGSWLIZTH-UHFFFAOYSA-N -1 3 291.738 3.219 20 0 CGADHM O=C(Nc1ccc(Cl)cc1[O-])[C@]12CCO[C@H]1CCCC2 ZINC000935099429 639747867 /nfs/dbraw/zinc/74/78/67/639747867.db2.gz JERQEBDVXUCWNG-DZGCQCFKSA-N -1 3 295.766 3.333 20 0 CGADHM O=C([N-]Cc1ccc(C2CC2)cc1)C(F)(F)C(F)F ZINC000191304418 640302393 /nfs/dbraw/zinc/30/23/93/640302393.db2.gz PEQBZVFCYKCQTB-UHFFFAOYSA-N -1 3 275.245 3.081 20 0 CGADHM Cc1ccc(CSCCC[N-]C(=O)C(F)(F)F)cc1 ZINC000091606150 640716828 /nfs/dbraw/zinc/71/68/28/640716828.db2.gz WLHLHGRNLJVQQY-UHFFFAOYSA-N -1 3 291.338 3.297 20 0 CGADHM O=C(Nc1ccc(F)c([O-])c1)c1cccc2c1CCCO2 ZINC001155604935 805596453 /nfs/dbraw/zinc/59/64/53/805596453.db2.gz JLWUOFROJBXEPD-UHFFFAOYSA-N -1 3 287.290 3.109 20 0 CGADHM Cc1nc(NC(=O)c2cccc3c(F)cccc23)cc(=O)[n-]1 ZINC001156093158 805652423 /nfs/dbraw/zinc/65/24/23/805652423.db2.gz WQJBAIHXGQXVNU-UHFFFAOYSA-N -1 3 297.289 3.035 20 0 CGADHM CN(C)c1ccc2[nH]c(-c3c([O-])cccc3F)nc2c1 ZINC001250674498 805754772 /nfs/dbraw/zinc/75/47/72/805754772.db2.gz RMNBFIOSJKWGJN-UHFFFAOYSA-N -1 3 271.295 3.141 20 0 CGADHM COc1cc2nc(-c3cccc(F)c3[O-])[nH]c2cc1F ZINC001250683681 805754986 /nfs/dbraw/zinc/75/49/86/805754986.db2.gz MQXZAXNRNCBCIY-UHFFFAOYSA-N -1 3 276.242 3.222 20 0 CGADHM [O-]C(=Cc1nc(-c2ccncc2)no1)c1ccccc1Cl ZINC001211647094 814924989 /nfs/dbraw/zinc/92/49/89/814924989.db2.gz HDNMPNKXHUPXEL-UHFFFAOYSA-N -1 3 299.717 3.210 20 0 CGADHM Cc1cc2[nH]c(-c3ccncc3[O-])nc2cc1Cl ZINC001250861115 805789694 /nfs/dbraw/zinc/78/96/94/805789694.db2.gz ZIGSUESPJJULDP-UHFFFAOYSA-N -1 3 259.696 3.292 20 0 CGADHM O=C(c1ccccc1)c1ccc2[n-]c(-c3ncco3)nc2c1 ZINC001250924378 805801119 /nfs/dbraw/zinc/80/11/19/805801119.db2.gz RANZYFWKMBEILF-UHFFFAOYSA-N -1 3 289.294 3.449 20 0 CGADHM O=C(c1ccccc1)c1ccc2nc(-c3ncco3)[n-]c2c1 ZINC001250924378 805801130 /nfs/dbraw/zinc/80/11/30/805801130.db2.gz RANZYFWKMBEILF-UHFFFAOYSA-N -1 3 289.294 3.449 20 0 CGADHM CCc1nc(Cl)nc(Cl)c1NCc1ncccc1[O-] ZINC001158776385 806001206 /nfs/dbraw/zinc/00/12/06/806001206.db2.gz VLKJLEUGJQLRCW-UHFFFAOYSA-N -1 3 299.161 3.059 20 0 CGADHM CCC[C@@H](O)CNc1cc(Cl)c([O-])cc1Cl ZINC001252792601 806116981 /nfs/dbraw/zinc/11/69/81/806116981.db2.gz JBUDIKLMKJSRIF-SSDOTTSWSA-N -1 3 264.152 3.272 20 0 CGADHM COc1cccc(-c2nnc(-c3ccccc3)o2)c1[O-] ZINC001253047806 806156870 /nfs/dbraw/zinc/15/68/70/806156870.db2.gz YSTPIASRXGSXNN-UHFFFAOYSA-N -1 3 268.272 3.118 20 0 CGADHM Cc1cc(O)cc([O-])c1-c1nnc(Cc2ccccc2)o1 ZINC001253588284 806264712 /nfs/dbraw/zinc/26/47/12/806264712.db2.gz GBQRXPVOZHIPNB-UHFFFAOYSA-N -1 3 282.299 3.047 20 0 CGADHM CCCS(=O)(=O)[N-]c1ccccc1-c1ccco1 ZINC001253710736 806282134 /nfs/dbraw/zinc/28/21/34/806282134.db2.gz LQTIWLPONHSIQH-UHFFFAOYSA-N -1 3 265.334 3.098 20 0 CGADHM CC(C)CO[N-]C(=O)C1(CCc2ccccc2)CC1 ZINC001161056794 806344321 /nfs/dbraw/zinc/34/43/21/806344321.db2.gz OXSLLRWVBPPHQT-UHFFFAOYSA-N -1 3 261.365 3.103 20 0 CGADHM C[C@H](CCc1ccccc1)Nc1ccccc1-c1nnn[n-]1 ZINC001161612660 806399908 /nfs/dbraw/zinc/39/99/08/806399908.db2.gz IZLXFIUXBDYPPX-CYBMUJFWSA-N -1 3 293.374 3.300 20 0 CGADHM C[C@H](CCc1ccccc1)Nc1ccccc1-c1nn[n-]n1 ZINC001161612660 806399910 /nfs/dbraw/zinc/39/99/10/806399910.db2.gz IZLXFIUXBDYPPX-CYBMUJFWSA-N -1 3 293.374 3.300 20 0 CGADHM [O-]c1cccc(O)c1-c1nnc([C@@H]2C[C@H]2c2ccccc2)o1 ZINC001254515148 806435234 /nfs/dbraw/zinc/43/52/34/806435234.db2.gz XUSBQOYRYCTWJD-NWDGAFQWSA-N -1 3 294.310 3.419 20 0 CGADHM CCC[C@@H]1CCCC[C@H]1CNC(=O)c1ccc(O)cc1[O-] ZINC001161843944 806469119 /nfs/dbraw/zinc/46/91/19/806469119.db2.gz NRLUHQMTNIKLKI-OLZOCXBDSA-N -1 3 291.391 3.434 20 0 CGADHM COc1cccc([O-])c1C(=O)N[C@@H](C)[C@@H]1CCC[C@@H](C)C1 ZINC001161931577 806485895 /nfs/dbraw/zinc/48/58/95/806485895.db2.gz BRLZKOCFCZANJL-FRRDWIJNSA-N -1 3 291.391 3.345 20 0 CGADHM C[C@H](NC(=O)c1ccc(O)cc1[O-])[C@@H]1CCC[C@H](C)C1 ZINC001161933703 806485974 /nfs/dbraw/zinc/48/59/74/806485974.db2.gz QRWROPCBPJHWMS-SDDRHHMPSA-N -1 3 277.364 3.042 20 0 CGADHM C[C@@H]1CCCC[C@@H]1CNc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001162530759 806614300 /nfs/dbraw/zinc/61/43/00/806614300.db2.gz OJINSINAAYPHTO-GHMZBOCLSA-N -1 3 289.358 3.244 20 0 CGADHM C[C@@H]1CCCC[C@@H]1CNc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001162530759 806614301 /nfs/dbraw/zinc/61/43/01/806614301.db2.gz OJINSINAAYPHTO-GHMZBOCLSA-N -1 3 289.358 3.244 20 0 CGADHM CCc1ncc(CN[C@H](CC(=O)[O-])c2cccs2)s1 ZINC000037924443 798878795 /nfs/dbraw/zinc/87/87/95/798878795.db2.gz WEJABHKWHQXCCX-SNVBAGLBSA-N -1 3 296.417 3.073 20 0 CGADHM O=C(OCc1cccc(OC(F)F)c1)c1ccc([O-])cc1 ZINC000065324718 798906850 /nfs/dbraw/zinc/90/68/50/798906850.db2.gz KJDOOKTYPZAPRQ-UHFFFAOYSA-N -1 3 294.253 3.351 20 0 CGADHM C[C@@H]1CCC[C@H](C)N1Cc1cc(F)c([O-])c(F)c1 ZINC000093102962 798962996 /nfs/dbraw/zinc/96/29/96/798962996.db2.gz TYLHFMCOKDIQFI-AOOOYVTPSA-N -1 3 255.308 3.433 20 0 CGADHM CC(C)=CC(=O)Nc1ccc(Br)cc1[O-] ZINC000126043243 799004895 /nfs/dbraw/zinc/00/48/95/799004895.db2.gz CUYVZMMYMTZIGJ-UHFFFAOYSA-N -1 3 270.126 3.059 20 0 CGADHM CC12C[C@H]3C[C@@H](C1)CC(C(=O)[N-]OCC(F)(F)F)(C3)C2 ZINC000228374849 799137999 /nfs/dbraw/zinc/13/79/99/799137999.db2.gz AZWISJUUJDZMPI-ASZHBFLOSA-N -1 3 291.313 3.203 20 0 CGADHM [O-]c1cncc(-c2nc(-c3ccc4ncccc4c3)no2)c1 ZINC000316066108 799239508 /nfs/dbraw/zinc/23/95/08/799239508.db2.gz PDPUVKBAJDCBEQ-UHFFFAOYSA-N -1 3 290.282 3.052 20 0 CGADHM O=C(Cc1ccc(Cl)cn1)Nc1cc(Cl)ccc1[O-] ZINC000339959834 799284028 /nfs/dbraw/zinc/28/40/28/799284028.db2.gz JBYZCXOMWCRKAF-UHFFFAOYSA-N -1 3 297.141 3.275 20 0 CGADHM CC(C)CCO[C@@H]1CCN(Cc2c(F)ccc([O-])c2F)C1 ZINC000351620351 799325293 /nfs/dbraw/zinc/32/52/93/799325293.db2.gz PCRIJILICVYXNV-GFCCVEGCSA-N -1 3 299.361 3.307 20 0 CGADHM CC[C@H]1CCCN(C(=O)c2c([O-])cccc2OC)CC1 ZINC000405300274 799582303 /nfs/dbraw/zinc/58/23/03/799582303.db2.gz RVPRFFWSQWGMFG-LBPRGKRZSA-N -1 3 277.364 3.053 20 0 CGADHM CC[C@@H]1CC[C@@H](C)N(C(=O)c2c([O-])cccc2OC)C1 ZINC000405211686 799582867 /nfs/dbraw/zinc/58/28/67/799582867.db2.gz IHMQQCIVBVYQRQ-VXGBXAGGSA-N -1 3 277.364 3.052 20 0 CGADHM O=C1[N-]C(=O)/C(=C/c2cc(Cl)cs2)c2ccccc21 ZINC000588601514 799720359 /nfs/dbraw/zinc/72/03/59/799720359.db2.gz SMPSUUSXZGNXNI-WUXMJOGZSA-N -1 3 289.743 3.212 20 0 CGADHM Cc1ccc(C(=O)N2CC[C@](C)(C(F)(F)F)C2)c([O-])c1 ZINC000709341739 800007384 /nfs/dbraw/zinc/00/73/84/800007384.db2.gz NPLNKLZJFZKUBD-ZDUSSCGKSA-N -1 3 287.281 3.115 20 0 CGADHM C[C@@H]1CC[C@@H](C)C1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC001256562848 806916876 /nfs/dbraw/zinc/91/68/76/806916876.db2.gz LQUWPOANHOBPTM-HTQZYQBOSA-N -1 3 293.841 3.114 20 0 CGADHM C[C@H]1C[C@H]1c1nnc(-c2cc([O-])ccc2Cl)o1 ZINC001256627826 806932647 /nfs/dbraw/zinc/93/26/47/806932647.db2.gz ZRMLXVCDJFDIDP-POYBYMJQSA-N -1 3 250.685 3.219 20 0 CGADHM CC(C)c1nc(CNC[C@H](CC(=O)[O-])C(C)(C)C)cs1 ZINC001116762471 802407875 /nfs/dbraw/zinc/40/78/75/802407875.db2.gz QKARWCKAGWHILI-NSHDSACASA-N -1 3 298.452 3.493 20 0 CGADHM O=C([N-]c1c(F)ccnc1F)c1cc2c(o1)CCCC2 ZINC001121123236 802805898 /nfs/dbraw/zinc/80/58/98/802805898.db2.gz OMCPXMKVOKYVNC-UHFFFAOYSA-N -1 3 278.258 3.084 20 0 CGADHM CC(C)c1ccccc1C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC001121153307 802808953 /nfs/dbraw/zinc/80/89/53/802808953.db2.gz XNGAJNKJLRUKLL-UHFFFAOYSA-N -1 3 298.268 3.199 20 0 CGADHM CC(C)c1ccccc1C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC001121153307 802808958 /nfs/dbraw/zinc/80/89/58/802808958.db2.gz XNGAJNKJLRUKLL-UHFFFAOYSA-N -1 3 298.268 3.199 20 0 CGADHM Cc1ccc(-c2cc(C3CC3)cnc2F)cc1-c1nnn[n-]1 ZINC001243873577 803056336 /nfs/dbraw/zinc/05/63/36/803056336.db2.gz HHARUBSFZGXGPD-UHFFFAOYSA-N -1 3 295.321 3.254 20 0 CGADHM Cc1ccc(-c2cc(C3CC3)cnc2F)cc1-c1nn[n-]n1 ZINC001243873577 803056341 /nfs/dbraw/zinc/05/63/41/803056341.db2.gz HHARUBSFZGXGPD-UHFFFAOYSA-N -1 3 295.321 3.254 20 0 CGADHM O=C1CCCN1c1ccc(-c2c([O-])cccc2Cl)cn1 ZINC001244046638 803159094 /nfs/dbraw/zinc/15/90/94/803159094.db2.gz AXVBITQTCHTXCY-UHFFFAOYSA-N -1 3 288.734 3.234 20 0 CGADHM [O-]c1cccc(Cl)c1-c1cccc2c1OCCO2 ZINC001244049451 803160196 /nfs/dbraw/zinc/16/01/96/803160196.db2.gz BTURSKVDEIRXDM-UHFFFAOYSA-N -1 3 262.692 3.484 20 0 CGADHM C[S@](=O)c1ccccc1-c1c([O-])cccc1Cl ZINC001244049469 803160701 /nfs/dbraw/zinc/16/07/01/803160701.db2.gz BWIZDBUSSKRFRR-KRWDZBQOSA-N -1 3 266.749 3.450 20 0 CGADHM OCc1cc(F)c(-c2ccc3c(c2)[N-]C(=S)C3)c(F)c1 ZINC001244370743 803334766 /nfs/dbraw/zinc/33/47/66/803334766.db2.gz MHBVIHUVKUADIT-UHFFFAOYSA-N -1 3 291.322 3.420 20 0 CGADHM Nc1ccc(F)cc1-c1cc(C(F)(F)F)[n-]c(=S)n1 ZINC001244396038 803344419 /nfs/dbraw/zinc/34/44/19/803344419.db2.gz VHTFDGDMKJYDNR-UHFFFAOYSA-N -1 3 289.257 3.172 20 0 CGADHM O=C1Cc2cccc(-c3ccc(Cl)cc3[O-])c2N1 ZINC001244469175 803386109 /nfs/dbraw/zinc/38/61/09/803386109.db2.gz DVAHEDKRSVPQNQ-UHFFFAOYSA-N -1 3 259.692 3.207 20 0 CGADHM CCOC(=O)c1c(F)cncc1-c1ccc(Cl)cc1[O-] ZINC001244473119 803389347 /nfs/dbraw/zinc/38/93/47/803389347.db2.gz QHIOJZGCXRMEPQ-UHFFFAOYSA-N -1 3 295.697 3.423 20 0 CGADHM CCOC(=O)c1cc(F)cnc1-c1cc(C)c(F)c([O-])c1 ZINC001244496984 803403668 /nfs/dbraw/zinc/40/36/68/803403668.db2.gz ZQKIOWRGMFQEII-UHFFFAOYSA-N -1 3 293.269 3.218 20 0 CGADHM CSc1cc(-c2cc(C)c(F)c([O-])c2)ncn1 ZINC001244496098 803403942 /nfs/dbraw/zinc/40/39/42/803403942.db2.gz KAPGAOPGIRDFQD-UHFFFAOYSA-N -1 3 250.298 3.019 20 0 CGADHM Cc1cc(-c2ccc(Cn3ccnc3)cn2)cc([O-])c1F ZINC001244505622 803410513 /nfs/dbraw/zinc/41/05/13/803410513.db2.gz AXMPNIWUCVLHMT-UHFFFAOYSA-N -1 3 283.306 3.147 20 0 CGADHM CC(=O)Nc1ncc(-c2cc(C)c(F)c([O-])c2)cc1C ZINC001244520981 803414796 /nfs/dbraw/zinc/41/47/96/803414796.db2.gz PLOQLUOVFMAJMY-UHFFFAOYSA-N -1 3 274.295 3.169 20 0 CGADHM CCOC(=O)c1ncc(-c2cc(C)c(F)c([O-])c2)cc1C ZINC001244525257 803419019 /nfs/dbraw/zinc/41/90/19/803419019.db2.gz NLYVQJUZLHJAGI-UHFFFAOYSA-N -1 3 289.306 3.387 20 0 CGADHM Cc1cc(-c2ccc(F)c(C(N)=O)c2)cc(Cl)c1[O-] ZINC001244547520 803431965 /nfs/dbraw/zinc/43/19/65/803431965.db2.gz PDQNJAYCQMSYNA-UHFFFAOYSA-N -1 3 279.698 3.259 20 0 CGADHM Cc1cc(C)c(C(=O)Nc2n[n-]c(-c3ccco3)n2)c(C)c1 ZINC001133906860 803509535 /nfs/dbraw/zinc/50/95/35/803509535.db2.gz DQTHFHUYSSCZRZ-UHFFFAOYSA-N -1 3 296.330 3.242 20 0 CGADHM COCOc1cc(C)c(-c2ccc(=S)[n-]n2)c(C)c1 ZINC001244772144 803526353 /nfs/dbraw/zinc/52/63/53/803526353.db2.gz WFVURLPMVGHHQQ-UHFFFAOYSA-N -1 3 276.361 3.032 20 0 CGADHM O=C(Nc1cccc(Cl)c1)c1[n-]cnc1C(F)(F)F ZINC001135680150 803610313 /nfs/dbraw/zinc/61/03/13/803610313.db2.gz XNOZQFZYVWEYIQ-UHFFFAOYSA-N -1 3 289.644 3.334 20 0 CGADHM O=C(Nc1cccc(Cl)c1)c1nc[n-]c1C(F)(F)F ZINC001135680150 803610315 /nfs/dbraw/zinc/61/03/15/803610315.db2.gz XNOZQFZYVWEYIQ-UHFFFAOYSA-N -1 3 289.644 3.334 20 0 CGADHM CC(=O)c1ccc(C(=O)N2c3ccccc3C[C@@H]2C)cc1[O-] ZINC001135997289 803624123 /nfs/dbraw/zinc/62/41/23/803624123.db2.gz DOZKIIPNIUMWAE-NSHDSACASA-N -1 3 295.338 3.186 20 0 CGADHM Cc1nc(-c2ccc([O-])cc2Cl)cc(N2CCCC2)n1 ZINC001245081494 803636439 /nfs/dbraw/zinc/63/64/39/803636439.db2.gz HHYSHQVBQMSDSU-UHFFFAOYSA-N -1 3 289.766 3.411 20 0 CGADHM CC(C)Oc1ncc(-c2ccc3c(c2)[N-]C(=S)C3)cn1 ZINC001245265397 803684906 /nfs/dbraw/zinc/68/49/06/803684906.db2.gz VRDKLBDFNHUMNE-UHFFFAOYSA-N -1 3 285.372 3.226 20 0 CGADHM Cc1c(C(=O)[O-])cccc1-c1ccc2c(N)ccnc2c1 ZINC001245301399 803695562 /nfs/dbraw/zinc/69/55/62/803695562.db2.gz SAGIKTWYVYPVJC-UHFFFAOYSA-N -1 3 278.311 3.491 20 0 CGADHM Cc1c(C(=O)[O-])cccc1-c1cnccc1/C=C/N(C)C ZINC001245304560 803696786 /nfs/dbraw/zinc/69/67/86/803696786.db2.gz XCVFUYFNOGWTSZ-CSKARUKUSA-N -1 3 282.343 3.288 20 0 CGADHM O=C(Nc1cccc([O-])c1F)c1ccc(CF)cc1 ZINC001137580742 803741081 /nfs/dbraw/zinc/74/10/81/803741081.db2.gz WXPCRICRXJBUQZ-UHFFFAOYSA-N -1 3 263.243 3.253 20 0 CGADHM [O-]c1ccc(Nc2nc3c(s2)CCC3)c(F)c1F ZINC001211997813 814964772 /nfs/dbraw/zinc/96/47/72/814964772.db2.gz MZYQJJNNDHFOBO-UHFFFAOYSA-N -1 3 268.288 3.359 20 0 CGADHM [O-]c1ccc(Nc2ncnc3sccc32)c(F)c1F ZINC001211997846 814964824 /nfs/dbraw/zinc/96/48/24/814964824.db2.gz OSDCRRNOYCLDBB-UHFFFAOYSA-N -1 3 279.271 3.419 20 0 CGADHM [O-]c1ccc(Nc2nsc3ncccc23)c(F)c1F ZINC001212002892 814965037 /nfs/dbraw/zinc/96/50/37/814965037.db2.gz JGTKLXJQVRDHFX-UHFFFAOYSA-N -1 3 279.271 3.419 20 0 CGADHM [O-]c1ccc(Nc2cc(C(F)(F)F)cnn2)c(F)c1F ZINC001212005761 814966004 /nfs/dbraw/zinc/96/60/04/814966004.db2.gz SYRKOZNVSABFHX-UHFFFAOYSA-N -1 3 291.179 3.223 20 0 CGADHM Cc1ccc2[nH]c(-c3ccc(F)c(-c4nnn[n-]4)c3)cc2c1 ZINC001245572340 803824113 /nfs/dbraw/zinc/82/41/13/803824113.db2.gz QHNOTESUFFPSEK-UHFFFAOYSA-N -1 3 293.305 3.463 20 0 CGADHM Cc1ccc2[nH]c(-c3ccc(F)c(-c4nn[n-]n4)c3)cc2c1 ZINC001245572340 803824121 /nfs/dbraw/zinc/82/41/21/803824121.db2.gz QHNOTESUFFPSEK-UHFFFAOYSA-N -1 3 293.305 3.463 20 0 CGADHM Cc1ccc(/C=C\C(=O)Nc2ccc(Cl)cc2[O-])cn1 ZINC001138015018 803825586 /nfs/dbraw/zinc/82/55/86/803825586.db2.gz MXURZEDXABMMBR-DAXSKMNVSA-N -1 3 288.734 3.401 20 0 CGADHM COc1cc(OC)c(-c2ccc3c(c2)[N-]C(=S)C3)cn1 ZINC001245610890 803852907 /nfs/dbraw/zinc/85/29/07/803852907.db2.gz FKGHKNXTUNIHBG-UHFFFAOYSA-N -1 3 286.356 3.061 20 0 CGADHM O=C1OCc2cc(-c3c([O-])cccc3F)cc(F)c21 ZINC001245655645 803887434 /nfs/dbraw/zinc/88/74/34/803887434.db2.gz FAWNIOOBJCPCST-UHFFFAOYSA-N -1 3 262.211 3.008 20 0 CGADHM CC(C)COc1ncc(-c2c([O-])cccc2F)cn1 ZINC001245655241 803887685 /nfs/dbraw/zinc/88/76/85/803887685.db2.gz PFEDVDVSHLMWHM-UHFFFAOYSA-N -1 3 262.284 3.023 20 0 CGADHM O=C1CSc2cc(-c3c([O-])cccc3F)ccc2N1 ZINC001245655201 803888419 /nfs/dbraw/zinc/88/84/19/803888419.db2.gz KJDRBTDATTWUML-UHFFFAOYSA-N -1 3 275.304 3.243 20 0 CGADHM CCN(CC)C(=O)c1cncc(-c2c([O-])cccc2F)c1 ZINC001245656443 803890058 /nfs/dbraw/zinc/89/00/58/803890058.db2.gz QZGQHTHODUMBEA-UHFFFAOYSA-N -1 3 288.322 3.075 20 0 CGADHM COC(=O)c1cc(F)c(F)c(-c2c([O-])cccc2F)c1 ZINC001245657134 803890189 /nfs/dbraw/zinc/89/01/89/803890189.db2.gz SVPJPBAWBUSNBV-UHFFFAOYSA-N -1 3 282.217 3.263 20 0 CGADHM CC(C)S(=O)(=O)c1cccc(-c2c([O-])cccc2F)c1 ZINC001245657016 803890341 /nfs/dbraw/zinc/89/03/41/803890341.db2.gz ZEOISQBXRJVVNI-UHFFFAOYSA-N -1 3 294.347 3.380 20 0 CGADHM CC1(C)Cc2cccc(-c3c([O-])cccc3F)c2C(=O)N1 ZINC001245657423 803891845 /nfs/dbraw/zinc/89/18/45/803891845.db2.gz MXTKISGKDYPABW-UHFFFAOYSA-N -1 3 285.318 3.263 20 0 CGADHM Cc1cc(Nc2ncc(Cl)cc2[O-])cnc1F ZINC001212179213 814989079 /nfs/dbraw/zinc/98/90/79/814989079.db2.gz SLLAIGMKTMFYTC-UHFFFAOYSA-N -1 3 253.664 3.027 20 0 CGADHM [O-]c1cc(Cl)c(Nc2ccc(CO)nc2)cc1Cl ZINC001212380711 815013737 /nfs/dbraw/zinc/01/37/37/815013737.db2.gz RTEGXQFEFDQFRW-UHFFFAOYSA-N -1 3 285.130 3.330 20 0 CGADHM CN(Cc1ccsc1)Cc1cc(F)c([O-])c(F)c1 ZINC001140990917 804563806 /nfs/dbraw/zinc/56/38/06/804563806.db2.gz CWUJBBLCOQKVRX-UHFFFAOYSA-N -1 3 269.316 3.364 20 0 CGADHM Cc1cnccc1/C=C\C(=O)Nc1c([O-])cccc1Cl ZINC001141469128 804644460 /nfs/dbraw/zinc/64/44/60/804644460.db2.gz JOENDSNHSRALQN-WAYWQWQTSA-N -1 3 288.734 3.401 20 0 CGADHM COc1cccc([O-])c1C(=O)NCc1c(C)cc(C)cc1C ZINC001141511189 804649694 /nfs/dbraw/zinc/64/96/94/804649694.db2.gz YYBFEKVFSDPNAI-UHFFFAOYSA-N -1 3 299.370 3.256 20 0 CGADHM CCOc1cccc(NC(=O)c2[n-]cnc2C(F)(F)F)c1 ZINC001141927131 804679436 /nfs/dbraw/zinc/67/94/36/804679436.db2.gz LFFQDCQMULJQGZ-UHFFFAOYSA-N -1 3 299.252 3.080 20 0 CGADHM CCOc1cccc(NC(=O)c2nc[n-]c2C(F)(F)F)c1 ZINC001141927131 804679438 /nfs/dbraw/zinc/67/94/38/804679438.db2.gz LFFQDCQMULJQGZ-UHFFFAOYSA-N -1 3 299.252 3.080 20 0 CGADHM C/C(=C\c1ccc(C)cc1)C(=O)[N-]OCc1ccccn1 ZINC001141946198 804682038 /nfs/dbraw/zinc/68/20/38/804682038.db2.gz DVGWTDTXIYXSNV-SDNWHVSQSA-N -1 3 282.343 3.041 20 0 CGADHM C[C@@]1(O)CCCN(Cc2c(Cl)cc([O-])cc2Cl)C1 ZINC001142114412 804696818 /nfs/dbraw/zinc/69/68/18/804696818.db2.gz HMAIOKUBQVZGPE-CYBMUJFWSA-N -1 3 290.190 3.046 20 0 CGADHM O=C([O-])c1cc(Cl)ccc1CN1CCC(CF)CC1 ZINC001142660106 804750081 /nfs/dbraw/zinc/75/00/81/804750081.db2.gz FMAZLGOJPYCVNX-UHFFFAOYSA-N -1 3 285.746 3.220 20 0 CGADHM O=C([O-])c1cc(Cl)ccc1CN1CCC[C@H](CF)C1 ZINC001142660207 804750186 /nfs/dbraw/zinc/75/01/86/804750186.db2.gz JIEWLRCGIMOYOU-SNVBAGLBSA-N -1 3 285.746 3.220 20 0 CGADHM CN(CCc1cccc(F)c1)Cc1c(F)cc([O-])cc1F ZINC001144561854 805006632 /nfs/dbraw/zinc/00/66/32/805006632.db2.gz PDFDOCGQDZOGBX-UHFFFAOYSA-N -1 3 295.304 3.484 20 0 CGADHM C[C@H]1C[C@@H](NC(=O)Cc2ccc([O-])c(F)c2)CC(C)(C)C1 ZINC001144632999 805015797 /nfs/dbraw/zinc/01/57/97/805015797.db2.gz ZTYIIWYDHFZTMT-WCQYABFASA-N -1 3 293.382 3.405 20 0 CGADHM CC1(CC(=O)[N-]Oc2ccc(F)cc2)CCCC1 ZINC001146550309 805074467 /nfs/dbraw/zinc/07/44/67/805074467.db2.gz FCLDPZDGVZOFOW-UHFFFAOYSA-N -1 3 251.301 3.206 20 0 CGADHM COc1cccc([O-])c1C(=O)NCC[C@@H]1CCCC[C@H]1C ZINC001146712311 805082250 /nfs/dbraw/zinc/08/22/50/805082250.db2.gz UQZISRPQTHLCIA-OLZOCXBDSA-N -1 3 291.391 3.347 20 0 CGADHM Cc1ccsc1C(=O)Nc1ccc(F)c([O-])c1 ZINC001147113874 805111094 /nfs/dbraw/zinc/11/10/94/805111094.db2.gz XAFKNNVATNNEMK-UHFFFAOYSA-N -1 3 251.282 3.154 20 0 CGADHM CCOc1cc(Nc2ncc(F)cc2[O-])c(F)cc1F ZINC001212529795 815051587 /nfs/dbraw/zinc/05/15/87/815051587.db2.gz TZNGAQSXBFGELE-UHFFFAOYSA-N -1 3 284.237 3.347 20 0 CGADHM Cc1cc(NC(=O)c2ccc(C)cc2[O-])n(C2CCC2)n1 ZINC001148492252 805187846 /nfs/dbraw/zinc/18/78/46/805187846.db2.gz JRCZDWTVOKXDQC-UHFFFAOYSA-N -1 3 285.347 3.183 20 0 CGADHM Cc1c2cc(C)ccc2oc1C(=O)Nc1cc(=O)[n-]c(C)n1 ZINC001150770826 805268479 /nfs/dbraw/zinc/26/84/79/805268479.db2.gz MDZNYKDVENUTEW-UHFFFAOYSA-N -1 3 297.314 3.106 20 0 CGADHM [O-]c1cc(Cl)c(Nc2ccc3nncn3c2)cc1Cl ZINC001250008516 805363095 /nfs/dbraw/zinc/36/30/95/805363095.db2.gz QMOMJFZUUMTUDE-UHFFFAOYSA-N -1 3 295.129 3.485 20 0 CGADHM Cc1ccc(C(=O)Nc2nc(C(C)C)ns2)c([O-])c1C ZINC001154232239 805442525 /nfs/dbraw/zinc/44/25/25/805442525.db2.gz IPCLPRIIQNZLBO-UHFFFAOYSA-N -1 3 291.376 3.236 20 0 CGADHM Cc1cnn2cc(Nc3ccc(Cl)c([O-])c3)cnc12 ZINC001212589638 815078402 /nfs/dbraw/zinc/07/84/02/815078402.db2.gz WLOZMXLBXXDDGF-UHFFFAOYSA-N -1 3 274.711 3.140 20 0 CGADHM CCOc1c(F)cc(Nc2cc(=O)[n-]c(C)n2)cc1Cl ZINC001250219410 805498928 /nfs/dbraw/zinc/49/89/28/805498928.db2.gz HDNIZMLNAJVQKQ-UHFFFAOYSA-N -1 3 297.717 3.425 20 0 CGADHM NC(=O)c1ccc(Nc2ccc(Cl)c([O-])c2)cc1F ZINC001212595271 815080616 /nfs/dbraw/zinc/08/06/16/815080616.db2.gz LJDHPMPZEDAVSX-UHFFFAOYSA-N -1 3 280.686 3.027 20 0 CGADHM O=C1OCc2cccc(Nc3ccc(Cl)c([O-])c3)c21 ZINC001212593635 815080645 /nfs/dbraw/zinc/08/06/45/815080645.db2.gz BRGQVYHKJUZNQK-UHFFFAOYSA-N -1 3 275.691 3.460 20 0 CGADHM COc1ccc(CO)cc1Nc1ccc(Cl)c([O-])c1 ZINC001212594226 815080915 /nfs/dbraw/zinc/08/09/15/815080915.db2.gz VBGGEIXIOHJLHI-UHFFFAOYSA-N -1 3 279.723 3.290 20 0 CGADHM COc1cc(CO)cc(Nc2ccc(Cl)c([O-])c2)c1 ZINC001212595328 815081371 /nfs/dbraw/zinc/08/13/71/815081371.db2.gz OFFHGYHPCUCAHF-UHFFFAOYSA-N -1 3 279.723 3.290 20 0 CGADHM [O-]C(=Cc1cnoc1)c1ccc(C(F)(F)F)cc1 ZINC001250237780 805513131 /nfs/dbraw/zinc/51/31/31/805513131.db2.gz MAQLCMLIYURULO-UHFFFAOYSA-N -1 3 255.195 3.119 20 0 CGADHM O=C([O-])c1cc(Cl)cc(CCN2CCCCC2)c1 ZINC001250242407 805514845 /nfs/dbraw/zinc/51/48/45/805514845.db2.gz YCYQVAKPIVPKDJ-UHFFFAOYSA-N -1 3 267.756 3.067 20 0 CGADHM O=C(Nc1ncccc1[O-])c1c[nH]c2c1cccc2Cl ZINC001154976847 805516070 /nfs/dbraw/zinc/51/60/70/805516070.db2.gz XFZINPUSTFNYQR-UHFFFAOYSA-N -1 3 287.706 3.174 20 0 CGADHM O=C(Cc1ccc(F)c([O-])c1)c1ccc(F)cc1F ZINC001250250505 805521385 /nfs/dbraw/zinc/52/13/85/805521385.db2.gz IPDAMLLFRXOJQI-UHFFFAOYSA-N -1 3 266.218 3.235 20 0 CGADHM COc1cc([O-])c(-c2nnc(C3CCCC3)o2)cc1OC ZINC001257588240 807202080 /nfs/dbraw/zinc/20/20/80/807202080.db2.gz FRAJYCDCPHDBPO-UHFFFAOYSA-N -1 3 290.319 3.117 20 0 CGADHM CC1(C)C[C@H]1[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC001257780611 807221092 /nfs/dbraw/zinc/22/10/92/807221092.db2.gz UIKYYVVBRASALR-SECBINFHSA-N -1 3 294.203 3.070 20 0 CGADHM CC(=O)Nc1ccc([N-]c2nnc(C(C)C)o2)cc1F ZINC001212699761 815106245 /nfs/dbraw/zinc/10/62/45/815106245.db2.gz BNEVKERRWQUUIE-UHFFFAOYSA-N -1 3 278.287 3.034 20 0 CGADHM COc1ccc(NCc2ncccc2[O-])c2ccc(C)nc12 ZINC001169732078 807700173 /nfs/dbraw/zinc/70/01/73/807700173.db2.gz FVTGYULKVCHSNL-UHFFFAOYSA-N -1 3 295.342 3.265 20 0 CGADHM CC[C@@H](C)S(=O)(=O)[N-]c1ccc2ccc(Cl)cc2n1 ZINC001260724382 807700427 /nfs/dbraw/zinc/70/04/27/807700427.db2.gz OWGRHCVCZNUZHP-SECBINFHSA-N -1 3 298.795 3.428 20 0 CGADHM CCc1nc2cc(NCc3ncccc3[O-])ccc2o1 ZINC001169733146 807701595 /nfs/dbraw/zinc/70/15/95/807701595.db2.gz PIPRMHBONLQNNB-UHFFFAOYSA-N -1 3 269.304 3.103 20 0 CGADHM CC[C@H](C)S(=O)(=O)[N-]c1ccccc1-c1nccs1 ZINC001260742662 807704420 /nfs/dbraw/zinc/70/44/20/807704420.db2.gz GSTMYKPDAAMGJU-JTQLQIEISA-N -1 3 296.417 3.350 20 0 CGADHM Cc1ncc(Nc2ccc(Br)cc2F)c(=O)[n-]1 ZINC001212869817 815167464 /nfs/dbraw/zinc/16/74/64/815167464.db2.gz DZNWOFNEERZIIJ-UHFFFAOYSA-N -1 3 298.115 3.136 20 0 CGADHM CO[C@H]1CC=C(Nc2nc3c(cccc3[O-])s2)CC1 ZINC001212871831 815167527 /nfs/dbraw/zinc/16/75/27/815167527.db2.gz CYIVMYDHGZRDAG-JTQLQIEISA-N -1 3 276.361 3.497 20 0 CGADHM CCN(CC)c1ccc(Nc2cc(=O)[n-]c(C)n2)cc1 ZINC001212968159 815191424 /nfs/dbraw/zinc/19/14/24/815191424.db2.gz MNDUPQCEGXPMIN-UHFFFAOYSA-N -1 3 272.352 3.080 20 0 CGADHM CN1CCOc2cc(Nc3c(F)cc([O-])cc3F)ccc21 ZINC001213045725 815211923 /nfs/dbraw/zinc/21/19/23/815211923.db2.gz WNCRDJKWSCZWCP-UHFFFAOYSA-N -1 3 292.285 3.243 20 0 CGADHM COC(=O)Cc1ccccc1Nc1cc([O-])c(F)cc1F ZINC001213059501 815214712 /nfs/dbraw/zinc/21/47/12/815214712.db2.gz YALBJFGIWMIZSO-UHFFFAOYSA-N -1 3 293.269 3.130 20 0 CGADHM O=c1cc(Nc2ccccc2C(F)(F)F)[nH]c(=S)[n-]1 ZINC001173841941 808704915 /nfs/dbraw/zinc/70/49/15/808704915.db2.gz OGDPUKPUWYXAFC-UHFFFAOYSA-N -1 3 287.266 3.233 20 0 CGADHM COc1ccc(F)cc1Nc1ncc(Cl)cc1[O-] ZINC001173954641 808782634 /nfs/dbraw/zinc/78/26/34/808782634.db2.gz FKHIRCQDHKEANT-UHFFFAOYSA-N -1 3 268.675 3.332 20 0 CGADHM COc1cccc([N-]c2noc(C(C)(C)C)n2)c1OC ZINC001174014061 808822241 /nfs/dbraw/zinc/82/22/41/808822241.db2.gz BAFAGUYWNQCYPG-UHFFFAOYSA-N -1 3 277.324 3.128 20 0 CGADHM COc1cccc(Nc2cc([O-])c(F)cc2F)c1OC ZINC001174017224 808825610 /nfs/dbraw/zinc/82/56/10/808825610.db2.gz XHFMUGLZMDDXSS-UHFFFAOYSA-N -1 3 281.258 3.431 20 0 CGADHM [O-]c1cc(Nc2ccnc3ccccc32)cc(F)c1F ZINC001174039932 808838049 /nfs/dbraw/zinc/83/80/49/808838049.db2.gz IVTVQJWZACUSRQ-UHFFFAOYSA-N -1 3 272.254 3.384 20 0 CGADHM COc1ccc(F)c(Nc2ncc(Cl)cc2[O-])c1 ZINC001174208423 808899543 /nfs/dbraw/zinc/89/95/43/808899543.db2.gz SWODXUTVUARLES-UHFFFAOYSA-N -1 3 268.675 3.332 20 0 CGADHM CCCn1cc(Nc2cc(F)c([O-])c(F)c2)cn1 ZINC001174219601 808908436 /nfs/dbraw/zinc/90/84/36/808908436.db2.gz LHDWGZXOVWWEPW-UHFFFAOYSA-N -1 3 253.252 3.021 20 0 CGADHM [O-]c1ccc(Nc2ccc3n[nH]cc3c2)c(F)c1F ZINC001174275179 808921292 /nfs/dbraw/zinc/92/12/92/808921292.db2.gz RAENZIQSNTWKNG-UHFFFAOYSA-N -1 3 261.231 3.290 20 0 CGADHM [O-]c1c(F)cc(Nc2cnn(CC3CC3)c2)cc1F ZINC001174468889 809026807 /nfs/dbraw/zinc/02/68/07/809026807.db2.gz MXXVNIHUZUTUBQ-UHFFFAOYSA-N -1 3 265.263 3.021 20 0 CGADHM Cc1ncc(Nc2ccccc2OCC(C)C)c(=O)[n-]1 ZINC001213253588 815258849 /nfs/dbraw/zinc/25/88/49/815258849.db2.gz XABZTSJOBGBCRM-UHFFFAOYSA-N -1 3 273.336 3.269 20 0 CGADHM CC(C)(C)c1nsc([N-]c2cncc(C(C)(C)O)c2)n1 ZINC001174588303 809093377 /nfs/dbraw/zinc/09/33/77/809093377.db2.gz WLXXKAGSFUFLNS-UHFFFAOYSA-N -1 3 292.408 3.202 20 0 CGADHM [O-]c1cc(Nc2cnn([C@H]3CCCCO3)c2)c(F)cc1F ZINC001174605897 809099919 /nfs/dbraw/zinc/09/99/19/809099919.db2.gz PLWVJRVLFWBLBU-CQSZACIVSA-N -1 3 295.289 3.310 20 0 CGADHM O=c1cc(Nc2cncc(C(F)(F)F)c2)nc(C2CC2)[n-]1 ZINC001174740033 809147888 /nfs/dbraw/zinc/14/78/88/809147888.db2.gz UCIMQBRNJVWSDF-UHFFFAOYSA-N -1 3 296.252 3.217 20 0 CGADHM CN1CCc2ccc(Nc3ccc(C(=O)[O-])s3)cc2C1 ZINC001174813023 809169954 /nfs/dbraw/zinc/16/99/54/809169954.db2.gz SGSIEKSVIZRQAB-UHFFFAOYSA-N -1 3 288.372 3.178 20 0 CGADHM CN(C)c1ccc(Nc2ccc(-n3ccc(=O)[n-]3)cc2)cc1 ZINC001174883485 809188393 /nfs/dbraw/zinc/18/83/93/809188393.db2.gz DTVFOTVSCHGQGO-UHFFFAOYSA-N -1 3 294.358 3.388 20 0 CGADHM COCc1ccc(Nc2ccc(-n3ccc(=O)[n-]3)cc2)cc1 ZINC001174923501 809202308 /nfs/dbraw/zinc/20/23/08/809202308.db2.gz DHMMOPOIEZLMGS-UHFFFAOYSA-N -1 3 295.342 3.468 20 0 CGADHM Cc1ccc(Nc2ccc([O-])c(F)c2F)cc1N ZINC001174934737 809205987 /nfs/dbraw/zinc/20/59/87/809205987.db2.gz CAMZRFDHCRITOW-UHFFFAOYSA-N -1 3 250.248 3.305 20 0 CGADHM COc1ccc(Nc2cc(F)c([O-])c(F)c2)c(Cl)n1 ZINC001213373279 815271679 /nfs/dbraw/zinc/27/16/79/815271679.db2.gz BFCXYOGARDXDFR-UHFFFAOYSA-N -1 3 286.665 3.471 20 0 CGADHM [O-]c1c(F)cc(Nc2cc(F)c(O)c(F)c2)cc1F ZINC001213382028 815273951 /nfs/dbraw/zinc/27/39/51/815273951.db2.gz VQPAYSLAXALBHX-UHFFFAOYSA-N -1 3 273.185 3.398 20 0 CGADHM Cc1nc(Nc2ccc(F)c(C(F)(F)F)c2)cc(=O)[n-]1 ZINC001175072654 809258927 /nfs/dbraw/zinc/25/89/27/809258927.db2.gz DTTHDYRZFSNCCZ-UHFFFAOYSA-N -1 3 287.216 3.392 20 0 CGADHM Cc1nc2c(c(=O)[n-]1)CN(Cc1ccc(CC(C)C)cc1)C2 ZINC001175070194 809259632 /nfs/dbraw/zinc/25/96/32/809259632.db2.gz MIWWKVPHDCEABR-UHFFFAOYSA-N -1 3 297.402 3.205 20 0 CGADHM CC(=O)Oc1ccc(F)c(Nc2c(F)cc([O-])cc2F)c1 ZINC001175103739 809272968 /nfs/dbraw/zinc/27/29/68/809272968.db2.gz YIIOSJSSSQCSBE-UHFFFAOYSA-N -1 3 297.232 3.478 20 0 CGADHM [O-]c1cc(F)c(Nc2ccccc2C2=NCCO2)c(F)c1 ZINC001175103039 809273045 /nfs/dbraw/zinc/27/30/45/809273045.db2.gz RSYSFLQMTHJPPT-UHFFFAOYSA-N -1 3 290.269 3.191 20 0 CGADHM CC(C)(C)c1nsc([N-]c2cc(CO)ccc2F)n1 ZINC001175127264 809281988 /nfs/dbraw/zinc/28/19/88/809281988.db2.gz AFGYEASRGUANBH-UHFFFAOYSA-N -1 3 281.356 3.211 20 0 CGADHM COc1nccc(Nc2c(F)ccc([O-])c2F)c1Cl ZINC001175263445 809329034 /nfs/dbraw/zinc/32/90/34/809329034.db2.gz UQRUJKGWSKWVLM-UHFFFAOYSA-N -1 3 286.665 3.471 20 0 CGADHM Cc1cc(Nc2c(F)ccc([O-])c2F)n(C(C)C)n1 ZINC001175263298 809329814 /nfs/dbraw/zinc/32/98/14/809329814.db2.gz RUKUAELZEHLTGU-UHFFFAOYSA-N -1 3 267.279 3.500 20 0 CGADHM [O-]c1ccc(F)c(Nc2ccn3ccnc3c2)c1F ZINC001175265918 809331624 /nfs/dbraw/zinc/33/16/24/809331624.db2.gz MMPXOMPPHJWDNW-UHFFFAOYSA-N -1 3 261.231 3.062 20 0 CGADHM CN(C)C(=O)c1ccccc1Nc1c(F)ccc([O-])c1F ZINC001175269014 809332841 /nfs/dbraw/zinc/33/28/41/809332841.db2.gz WOJNJTIRYCKUFG-UHFFFAOYSA-N -1 3 292.285 3.116 20 0 CGADHM CCOc1cc(F)ccc1[N-]c1nnc(C(C)C)o1 ZINC001175289344 809340280 /nfs/dbraw/zinc/34/02/80/809340280.db2.gz ZAFKLTHTIGILAV-UHFFFAOYSA-N -1 3 265.288 3.474 20 0 CGADHM c1ccc2cc(Nc3ccc(-c4nn[n-]n4)cc3)ncc2c1 ZINC001175425972 809400272 /nfs/dbraw/zinc/40/02/72/809400272.db2.gz YOQBKMFMTOTXOY-UHFFFAOYSA-N -1 3 288.314 3.159 20 0 CGADHM COC(=O)c1ccc(NC(=O)c2ccc(C)c(C)c2[O-])cc1 ZINC001290083015 809401170 /nfs/dbraw/zinc/40/11/70/809401170.db2.gz LYVKEPJHNYWUDC-UHFFFAOYSA-N -1 3 299.326 3.048 20 0 CGADHM Fc1ccc(Cl)c(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001175429257 809401677 /nfs/dbraw/zinc/40/16/77/809401677.db2.gz GALVDBCRBMJBJS-UHFFFAOYSA-N -1 3 289.701 3.403 20 0 CGADHM Cc1cc(F)cc(C)c1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175431752 809402793 /nfs/dbraw/zinc/40/27/93/809402793.db2.gz LSRXFXSPGGMEAT-UHFFFAOYSA-N -1 3 283.310 3.366 20 0 CGADHM CCN(C(=O)c1cc2sccc2c([O-])c1)C1CC1 ZINC001292779626 809436657 /nfs/dbraw/zinc/43/66/57/809436657.db2.gz IPIJZLSUGBQHFQ-UHFFFAOYSA-N -1 3 261.346 3.231 20 0 CGADHM COC(=O)c1ccc(NC(=O)c2c(C)cccc2[O-])cc1C ZINC001292913375 809440411 /nfs/dbraw/zinc/44/04/11/809440411.db2.gz ZQWNRDWCMIZUEM-UHFFFAOYSA-N -1 3 299.326 3.048 20 0 CGADHM COC[C@H](NC(=O)c1cc2sccc2c([O-])c1)C(C)C ZINC001293646734 809452295 /nfs/dbraw/zinc/45/22/95/809452295.db2.gz SUAKBRAERGMAKR-LBPRGKRZSA-N -1 3 293.388 3.008 20 0 CGADHM Cn1cc2c(cccc2Nc2cc(F)c([O-])c(F)c2)n1 ZINC001175592967 809466968 /nfs/dbraw/zinc/46/69/68/809466968.db2.gz HAVHNIKBRICMKI-UHFFFAOYSA-N -1 3 275.258 3.301 20 0 CGADHM Cn1cc2cc(Nc3cc([O-])c(F)cc3F)ccc2n1 ZINC001175624669 809478955 /nfs/dbraw/zinc/47/89/55/809478955.db2.gz ILUYBYXFMXXKCQ-UHFFFAOYSA-N -1 3 275.258 3.301 20 0 CGADHM O=C(Cc1ccc2cccnc2c1)Nc1cccc([O-])c1F ZINC001295127760 809482575 /nfs/dbraw/zinc/48/25/75/809482575.db2.gz FTBXLHZGFJDWRZ-UHFFFAOYSA-N -1 3 296.301 3.261 20 0 CGADHM Cc1sccc1C(=O)Nc1cc(F)ccc1[O-] ZINC001295973422 809496827 /nfs/dbraw/zinc/49/68/27/809496827.db2.gz ZVTZBCZYYNIPRK-UHFFFAOYSA-N -1 3 251.282 3.154 20 0 CGADHM CC(=O)c1ccc(C(=O)Nc2cc(O)c(C)cc2C)cc1[O-] ZINC001296083212 809498134 /nfs/dbraw/zinc/49/81/34/809498134.db2.gz CVOMWLWAQWGUCA-UHFFFAOYSA-N -1 3 299.326 3.170 20 0 CGADHM CC1(C)[C@H](C(=O)Nc2ncccc2[O-])[C@H]1c1ccccc1 ZINC001296271810 809501488 /nfs/dbraw/zinc/50/14/88/809501488.db2.gz SJGBDMHXEPMMFL-KGLIPLIRSA-N -1 3 282.343 3.166 20 0 CGADHM CCc1ccc(C(=O)NC[C@@H]2CC[C@@H](C)C2)c([O-])c1 ZINC001297382502 809517349 /nfs/dbraw/zinc/51/73/49/809517349.db2.gz VDWYMCKKEVTYLP-DGCLKSJQSA-N -1 3 261.365 3.121 20 0 CGADHM Cc1cc(C)c(Nc2cc(F)c([O-])cc2F)cn1 ZINC001213518408 815296558 /nfs/dbraw/zinc/29/65/58/815296558.db2.gz MTGNWHKWIRSSDD-UHFFFAOYSA-N -1 3 250.248 3.426 20 0 CGADHM CC(C)(C)c1cc(Nc2cncc(C(=O)[O-])c2)ccn1 ZINC001175839641 809552030 /nfs/dbraw/zinc/55/20/30/809552030.db2.gz AIXBTHZZYGSHCA-UHFFFAOYSA-N -1 3 271.320 3.216 20 0 CGADHM Cn1ccc2c1cccc2Nc1cc(=O)[n-]c(C2CC2)n1 ZINC001175863396 809560149 /nfs/dbraw/zinc/56/01/49/809560149.db2.gz SHSMDSDLFZTUBV-UHFFFAOYSA-N -1 3 280.331 3.295 20 0 CGADHM CCc1ccc(C(=O)NC[C@@H]2CCC[C@@H]3C[C@@H]32)c([O-])c1 ZINC001300909740 809576026 /nfs/dbraw/zinc/57/60/26/809576026.db2.gz SWSWZDQJIQPMCX-IPYPFGDCSA-N -1 3 273.376 3.121 20 0 CGADHM CC1(C)[C@@H](c2ccccc2)[C@@H]1NC(=O)c1ccc(O)cc1[O-] ZINC001301251779 809580787 /nfs/dbraw/zinc/58/07/87/809580787.db2.gz MDTTZSMOYWUHEF-HOTGVXAUSA-N -1 3 297.354 3.020 20 0 CGADHM COc1nonc1[N-]c1cccc(OC2CCCC2)c1 ZINC001176097786 809622047 /nfs/dbraw/zinc/62/20/47/809622047.db2.gz WYWBIEJKOPYBHF-UHFFFAOYSA-N -1 3 275.308 3.143 20 0 CGADHM CCN(C)C(=O)c1cccc([N-]c2nnc(C(C)C)o2)c1 ZINC001176462462 809702884 /nfs/dbraw/zinc/70/28/84/809702884.db2.gz GUDQUQVRLFGGNG-UHFFFAOYSA-N -1 3 288.351 3.029 20 0 CGADHM Cc1nc(Nc2cccc(OCC3CC3)c2)cc(=O)[n-]1 ZINC001176492084 809707030 /nfs/dbraw/zinc/70/70/30/809707030.db2.gz QJIABTVGROZUJO-UHFFFAOYSA-N -1 3 271.320 3.023 20 0 CGADHM O=C(Cc1cc(F)cc(F)c1F)Nc1ccc(F)c([O-])c1 ZINC001179844086 809950704 /nfs/dbraw/zinc/95/07/04/809950704.db2.gz YVDMLGHKYJIIKX-UHFFFAOYSA-N -1 3 299.223 3.130 20 0 CGADHM COCCN(Cc1ccc([O-])c(F)c1F)C1CCCC1 ZINC001179858483 809951964 /nfs/dbraw/zinc/95/19/64/809951964.db2.gz FXJDMTQWOKQHOT-UHFFFAOYSA-N -1 3 285.334 3.061 20 0 CGADHM COc1ccc([C@@H]2C[C@H]2CC(=O)[N-]OC(C)(C)C)cc1 ZINC001183029548 810135435 /nfs/dbraw/zinc/13/54/35/810135435.db2.gz LPRGQBASDWKWBH-JSGCOSHPSA-N -1 3 277.364 3.035 20 0 CGADHM CCc1cccc(C(=O)Nc2cccc(SC)n2)c1[O-] ZINC001183415632 810148545 /nfs/dbraw/zinc/14/85/45/810148545.db2.gz NVWQCKXIDDSGFH-UHFFFAOYSA-N -1 3 288.372 3.324 20 0 CGADHM CC(=O)c1cccc([O-])c1NC(=O)[C@@H]1CCC[C@@H](C)C1 ZINC001184511736 810206469 /nfs/dbraw/zinc/20/64/69/810206469.db2.gz RANOXQMLERAUJG-ZYHUDNBSSA-N -1 3 275.348 3.360 20 0 CGADHM O=S(=O)([N-][C@H]1CC[C@@H](F)C1)c1cc2ccccc2s1 ZINC001185470618 810268228 /nfs/dbraw/zinc/26/82/28/810268228.db2.gz VDYYKZHXFLINHZ-MNOVXSKESA-N -1 3 299.392 3.070 20 0 CGADHM [O-]c1cc(Nc2cc(F)c(CO)c(F)c2)c(F)cc1F ZINC001214034949 815358869 /nfs/dbraw/zinc/35/88/69/815358869.db2.gz KRFXXJRSMOLVBD-UHFFFAOYSA-N -1 3 287.212 3.185 20 0 CGADHM CSc1cccc(NC(=O)Nc2cncc([O-])c2)c1 ZINC001188019411 810443251 /nfs/dbraw/zinc/44/32/51/810443251.db2.gz GIAAQQXCRUWHQA-UHFFFAOYSA-N -1 3 275.333 3.153 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CCCC[C@](C)(F)C1 ZINC001188639995 810497082 /nfs/dbraw/zinc/49/70/82/810497082.db2.gz AJRZIPWRKYVVJU-HNNXBMFYSA-N -1 3 265.328 3.055 20 0 CGADHM Cc1cccc([O-])c1C(=O)NC1(CC(C)C)CCOCC1 ZINC001188658296 810500273 /nfs/dbraw/zinc/50/02/73/810500273.db2.gz GGYPPVGTAIOUCV-UHFFFAOYSA-N -1 3 291.391 3.026 20 0 CGADHM CCCCNC(=O)Nc1cc2ccccc2cc1[O-] ZINC001190615061 810637958 /nfs/dbraw/zinc/63/79/58/810637958.db2.gz IAMSYFWADJGMJE-UHFFFAOYSA-N -1 3 258.321 3.467 20 0 CGADHM CC(C)c1cccc(F)c1[N-]S(=O)(=O)c1ccncc1 ZINC001190903938 810656237 /nfs/dbraw/zinc/65/62/37/810656237.db2.gz PFUYMZUBWKDTJB-UHFFFAOYSA-N -1 3 294.351 3.145 20 0 CGADHM CCOc1cc(Nc2ncc(F)cc2[O-])ccc1C ZINC001214323250 815396184 /nfs/dbraw/zinc/39/61/84/815396184.db2.gz VCFGNJUXZSCKBB-UHFFFAOYSA-N -1 3 262.284 3.377 20 0 CGADHM CCCC[C@H](C)NC(=O)Nc1c([O-])cccc1C(C)=O ZINC001193064790 810849378 /nfs/dbraw/zinc/84/93/78/810849378.db2.gz ILMSBLWZNWNPDS-JTQLQIEISA-N -1 3 278.352 3.295 20 0 CGADHM Cc1cc(O)cc([O-])c1C(=O)Nc1ccc(C2CCC2)nc1 ZINC001193923127 810980077 /nfs/dbraw/zinc/98/00/77/810980077.db2.gz WMEUNISJAJQRFD-UHFFFAOYSA-N -1 3 298.342 3.321 20 0 CGADHM Cc1cc2cc(N)cnc2n1-c1c(Cl)ccc([O-])c1F ZINC001214555955 815423181 /nfs/dbraw/zinc/42/31/81/815423181.db2.gz CAOUPXQDIIUFRS-UHFFFAOYSA-N -1 3 291.713 3.414 20 0 CGADHM NC(=O)c1cc(F)cc(Nc2c(Cl)ccc([O-])c2F)c1 ZINC001214563561 815424667 /nfs/dbraw/zinc/42/46/67/815424667.db2.gz HEQHFGGWLBLZFY-UHFFFAOYSA-N -1 3 298.676 3.166 20 0 CGADHM Nc1ccc2c(cnn2-c2c(Cl)ccc([O-])c2F)c1 ZINC001214559686 815424831 /nfs/dbraw/zinc/42/48/31/815424831.db2.gz SRMXIMLRAMOHNI-UHFFFAOYSA-N -1 3 277.686 3.106 20 0 CGADHM Nc1cccc(Nc2c(F)c([O-])ccc2Cl)c1O ZINC001214565087 815425529 /nfs/dbraw/zinc/42/55/29/815425529.db2.gz XHHZKZXKVSLNFJ-UHFFFAOYSA-N -1 3 268.675 3.216 20 0 CGADHM O=C(Nc1ccc(F)c([O-])c1)Oc1ccc(F)cc1 ZINC001195035618 811189328 /nfs/dbraw/zinc/18/93/28/811189328.db2.gz LKMQEEKBVOVLKJ-UHFFFAOYSA-N -1 3 265.215 3.281 20 0 CGADHM O=c1[n-]cncc1NC(=S)Nc1cccc2ccccc21 ZINC001200094441 811639145 /nfs/dbraw/zinc/63/91/45/811639145.db2.gz JNGHVFONOIONDE-UHFFFAOYSA-N -1 3 296.355 3.144 20 0 CGADHM CC[C@H](C)NC(=S)Nc1ccc([O-])c(Cl)c1 ZINC001200482351 811702477 /nfs/dbraw/zinc/70/24/77/811702477.db2.gz MIRDVQODJLPVEQ-ZETCQYMHSA-N -1 3 258.774 3.131 20 0 CGADHM CC[C@@H](C)NC(=S)Nc1ccc([O-])c(Cl)c1 ZINC001200482350 811702763 /nfs/dbraw/zinc/70/27/63/811702763.db2.gz MIRDVQODJLPVEQ-SSDOTTSWSA-N -1 3 258.774 3.131 20 0 CGADHM CC(=O)c1cccc([O-])c1NC(=S)NC1CCCCC1 ZINC001200650944 811728150 /nfs/dbraw/zinc/72/81/50/811728150.db2.gz MCLWRFJLRDWSSZ-UHFFFAOYSA-N -1 3 292.404 3.214 20 0 CGADHM COc1cccc(-c2noc(-c3ccccc3[O-])n2)c1OC ZINC001215141822 815487866 /nfs/dbraw/zinc/48/78/66/815487866.db2.gz AQQQABDERJGVAF-UHFFFAOYSA-N -1 3 298.298 3.126 20 0 CGADHM [O-]c1cccc(O)c1-c1nc(-c2ncccc2C2CC2)no1 ZINC001215301893 815505402 /nfs/dbraw/zinc/50/54/02/815505402.db2.gz KBHDXCJHMGHPRA-UHFFFAOYSA-N -1 3 295.298 3.087 20 0 CGADHM COc1ccc(NC(=O)Nc2nc(C)ccc2[O-])c(C)c1 ZINC001202712413 812157752 /nfs/dbraw/zinc/15/77/52/812157752.db2.gz BWEDYNUVMOMGRF-UHFFFAOYSA-N -1 3 287.319 3.057 20 0 CGADHM Cc1cncc(-c2noc(-c3cc([O-])ccc3Cl)n2)c1 ZINC001215345711 815507719 /nfs/dbraw/zinc/50/77/19/815507719.db2.gz FPRAHOWAZGTCQT-UHFFFAOYSA-N -1 3 287.706 3.466 20 0 CGADHM CCc1cccc(NC(=O)Nc2nc(C)ccc2[O-])c1 ZINC001202874979 812191401 /nfs/dbraw/zinc/19/14/01/812191401.db2.gz ZZYJQMAXGWXJFW-UHFFFAOYSA-N -1 3 271.320 3.302 20 0 CGADHM CC(=O)c1cc(-c2nc(-c3cncc(C)c3)no2)ccc1[O-] ZINC001215365376 815510142 /nfs/dbraw/zinc/51/01/42/815510142.db2.gz QIHNKHJMTQQVNJ-UHFFFAOYSA-N -1 3 295.298 3.015 20 0 CGADHM CSc1ccc(Nc2cnc(C)[n-]c2=O)c(C)c1 ZINC001215475491 815523189 /nfs/dbraw/zinc/52/31/89/815523189.db2.gz JTZDNNQIXJSQSB-UHFFFAOYSA-N -1 3 261.350 3.265 20 0 CGADHM [O-]c1cc(Cl)cnc1Nc1ccc2cncnc2c1 ZINC001203701567 812431677 /nfs/dbraw/zinc/43/16/77/812431677.db2.gz CTNKYHQKOFHYLT-UHFFFAOYSA-N -1 3 272.695 3.127 20 0 CGADHM [O-]c1cc(F)c(Nc2c(F)c(F)nc(F)c2F)cc1F ZINC001215569733 815536042 /nfs/dbraw/zinc/53/60/42/815536042.db2.gz GBHUTJAVLHGJSM-UHFFFAOYSA-N -1 3 294.154 3.365 20 0 CGADHM CCc1ccc(Nc2cc(F)c([O-])cc2F)cn1 ZINC001215571454 815537309 /nfs/dbraw/zinc/53/73/09/815537309.db2.gz BKURJOTULSGUKM-UHFFFAOYSA-N -1 3 250.248 3.371 20 0 CGADHM Cc1cc(F)nc(Nc2cc(F)c([O-])cc2F)c1 ZINC001215572560 815537801 /nfs/dbraw/zinc/53/78/01/815537801.db2.gz KYWONTVVZGJQEY-UHFFFAOYSA-N -1 3 254.211 3.257 20 0 CGADHM CC(=O)c1ncccc1Nc1cc(F)c([O-])cc1F ZINC001215572398 815537829 /nfs/dbraw/zinc/53/78/29/815537829.db2.gz VDNDNHKJOALOCC-UHFFFAOYSA-N -1 3 264.231 3.012 20 0 CGADHM COc1cc(Cl)cc(-c2ccc(-c3nnn[n-]3)cc2)c1 ZINC001205135624 812882193 /nfs/dbraw/zinc/88/21/93/812882193.db2.gz NWXPZOTVEKRCOV-UHFFFAOYSA-N -1 3 286.722 3.196 20 0 CGADHM COc1cc(Cl)cc(-c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001205135624 812882199 /nfs/dbraw/zinc/88/21/99/812882199.db2.gz NWXPZOTVEKRCOV-UHFFFAOYSA-N -1 3 286.722 3.196 20 0 CGADHM Fc1cc(F)c(-c2ccccc2-c2nnn[n-]2)c(F)c1F ZINC001205174213 812898644 /nfs/dbraw/zinc/89/86/44/812898644.db2.gz QMOHNVZQSJYSNB-UHFFFAOYSA-N -1 3 294.211 3.090 20 0 CGADHM Fc1cc(F)c(-c2ccccc2-c2nn[n-]n2)c(F)c1F ZINC001205174213 812898652 /nfs/dbraw/zinc/89/86/52/812898652.db2.gz QMOHNVZQSJYSNB-UHFFFAOYSA-N -1 3 294.211 3.090 20 0 CGADHM CC(=O)c1ccccc1-c1noc(-c2cc([O-])ccc2F)n1 ZINC001215749079 815573804 /nfs/dbraw/zinc/57/38/04/815573804.db2.gz BIMWMDRIZCZPBY-UHFFFAOYSA-N -1 3 298.273 3.451 20 0 CGADHM [O-]c1ccc(-c2ncc3ccc(F)cc3n2)c(F)c1 ZINC001206021007 813167938 /nfs/dbraw/zinc/16/79/38/813167938.db2.gz BZMZXJUYIAAIFW-UHFFFAOYSA-N -1 3 258.227 3.281 20 0 CGADHM [O-]c1ccc(-c2cc(OC(F)F)ccn2)c(F)c1 ZINC001206021950 813168796 /nfs/dbraw/zinc/16/87/96/813168796.db2.gz UVECRRVANOTHCY-UHFFFAOYSA-N -1 3 255.195 3.195 20 0 CGADHM Cc1[nH]c2ncnc(-c3ccc([O-])cc3F)c2c1C ZINC001206030446 813172634 /nfs/dbraw/zinc/17/26/34/813172634.db2.gz 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XWFLPGWDVAKCPB-UHFFFAOYSA-N -1 3 271.654 3.166 20 0 CGADHM CC(=O)Nc1cc(Nc2cccc(Cl)c2[O-])ccn1 ZINC001210218120 814345991 /nfs/dbraw/zinc/34/59/91/814345991.db2.gz FJPASLHTLHHWQL-UHFFFAOYSA-N -1 3 277.711 3.143 20 0 CGADHM COC(=O)c1cc(O)cc(Nc2cccc(Cl)c2[O-])c1 ZINC001210223320 814351140 /nfs/dbraw/zinc/35/11/40/814351140.db2.gz NTWHZNCQRVTCHF-UHFFFAOYSA-N -1 3 293.706 3.281 20 0 CGADHM Oc1ccc(F)c(-c2cc(C(F)(F)F)[n-]c(=S)n2)c1 ZINC001242761595 823124281 /nfs/dbraw/zinc/12/42/81/823124281.db2.gz ONAYWWUGDZRVKI-UHFFFAOYSA-N -1 3 290.241 3.296 20 0 CGADHM COc1ncc(Nc2cc(F)c([O-])cc2F)cc1C ZINC001210316526 814400425 /nfs/dbraw/zinc/40/04/25/814400425.db2.gz GLDZLZROVUSQJB-UHFFFAOYSA-N -1 3 266.247 3.126 20 0 CGADHM CC(C)(C)c1nnc([N-]c2ccc3ncncc3c2)o1 ZINC001210454445 814465663 /nfs/dbraw/zinc/46/56/63/814465663.db2.gz ZWSLWEBMNJFFLJ-UHFFFAOYSA-N -1 3 269.308 3.054 20 0 CGADHM [O-]c1cc(Nc2cccnc2OC(F)F)c(F)cc1F ZINC001210626747 814562552 /nfs/dbraw/zinc/56/25/52/814562552.db2.gz 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GTOKGPGROQAFAO-UHFFFAOYSA-N -1 3 256.639 3.462 20 0 CGADHM CC(=O)c1cccc(O)c1Nc1ccc(F)c([O-])c1 ZINC001211220383 814854455 /nfs/dbraw/zinc/85/44/55/814854455.db2.gz GEXOLJWZLSDVHL-UHFFFAOYSA-N -1 3 261.252 3.183 20 0 CGADHM CCCOc1ccccc1Nc1cc(=O)[n-]c(=S)[nH]1 ZINC001211378250 814887572 /nfs/dbraw/zinc/88/75/72/814887572.db2.gz HYAAVBWJSJJLDK-UHFFFAOYSA-N -1 3 277.349 3.003 20 0 CGADHM CCOCc1cncc(Nc2cc(F)c([O-])cc2F)c1 ZINC001215791425 815593569 /nfs/dbraw/zinc/59/35/69/815593569.db2.gz OAGLSVSHXSBSEQ-UHFFFAOYSA-N -1 3 280.274 3.346 20 0 CGADHM Cc1nsc([N-]c2cc(Cl)cc3n[nH]cc32)n1 ZINC001215858266 815616721 /nfs/dbraw/zinc/61/67/21/815616721.db2.gz WFKSACAEGORCIY-UHFFFAOYSA-N -1 3 265.729 3.120 20 0 CGADHM CCOC(=O)c1cc([N-]c2cc(C3CC3)cnc2F)on1 ZINC001215955716 815640418 /nfs/dbraw/zinc/64/04/18/815640418.db2.gz GGXFRSCXBCJPGJ-UHFFFAOYSA-N -1 3 291.282 3.006 20 0 CGADHM CSc1ccc(-c2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC001242814365 823142759 /nfs/dbraw/zinc/14/27/59/823142759.db2.gz JHAWRESTJZKYJV-UHFFFAOYSA-N -1 3 286.335 3.395 20 0 CGADHM CSc1ccc(-c2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC001242814365 823142760 /nfs/dbraw/zinc/14/27/60/823142760.db2.gz JHAWRESTJZKYJV-UHFFFAOYSA-N -1 3 286.335 3.395 20 0 CGADHM Cc1ccc(Nc2ccc(O)c(CO)c2)c(Cl)c1[O-] ZINC001216142164 815712279 /nfs/dbraw/zinc/71/22/79/815712279.db2.gz VCQWIOYVCOZEPZ-UHFFFAOYSA-N -1 3 279.723 3.296 20 0 CGADHM NC(=O)c1ccc(Nc2cc3c(cccc3F)o2)cc1[O-] ZINC001216293148 815769507 /nfs/dbraw/zinc/76/95/07/815769507.db2.gz RIUMQHMBSRCISV-UHFFFAOYSA-N -1 3 286.262 3.120 20 0 CGADHM CCOc1cc(C)c(C)cc1Nc1cc(=O)[n-]c(C)n1 ZINC001216377801 815804639 /nfs/dbraw/zinc/80/46/39/815804639.db2.gz UNKRKMKQYFCDFQ-UHFFFAOYSA-N -1 3 273.336 3.250 20 0 CGADHM Cc1cc(F)cc(Cl)c1Nc1ccc(C(N)=O)c([O-])c1 ZINC001216405058 815814659 /nfs/dbraw/zinc/81/46/59/815814659.db2.gz XZXOHYCNMOMLAR-UHFFFAOYSA-N -1 3 294.713 3.336 20 0 CGADHM CCc1cccc(-c2noc(-c3cc(O)ccc3[O-])n2)c1 ZINC001216735399 815894885 /nfs/dbraw/zinc/89/48/85/815894885.db2.gz IRQWCARFKYXFAS-UHFFFAOYSA-N -1 3 282.299 3.377 20 0 CGADHM Cc1c([O-])cc(-c2nc(-c3cc(F)ccn3)no2)cc1F ZINC001216895220 815900581 /nfs/dbraw/zinc/90/05/81/815900581.db2.gz KCLLKEDTGSPWFS-UHFFFAOYSA-N -1 3 289.241 3.091 20 0 CGADHM Cc1cc(-c2noc(-c3nc4ccccc4[n-]3)n2)cnc1C ZINC001217136464 815910658 /nfs/dbraw/zinc/91/06/58/815910658.db2.gz AAYPLAHGPCUOPO-UHFFFAOYSA-N -1 3 291.314 3.292 20 0 CGADHM Cc1cc(-c2noc(-c3[n-]nc4c3cccc4F)n2)ccn1 ZINC001217322572 815920084 /nfs/dbraw/zinc/92/00/84/815920084.db2.gz BZFXGMUCKYWMRK-UHFFFAOYSA-N -1 3 295.277 3.122 20 0 CGADHM Cc1ccc2ccccc2c1-c1cncc(-c2nnn[n-]2)c1 ZINC001242982511 823198760 /nfs/dbraw/zinc/19/87/60/823198760.db2.gz IJVIJWIRQOBATB-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM Cc1ccc2ccccc2c1-c1cncc(-c2nn[n-]n2)c1 ZINC001242982511 823198762 /nfs/dbraw/zinc/19/87/62/823198762.db2.gz IJVIJWIRQOBATB-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM O=c1ccc(-c2ccc(F)c([O-])c2)cn1-c1ccccc1 ZINC001243045965 823223306 /nfs/dbraw/zinc/22/33/06/823223306.db2.gz DDYYYOVHNIALCC-UHFFFAOYSA-N -1 3 281.286 3.349 20 0 CGADHM CC(C)S(=O)(=O)c1ccc(-c2ccc(F)c([O-])c2)cc1 ZINC001243047462 823224438 /nfs/dbraw/zinc/22/44/38/823224438.db2.gz SJYIAXAOWGDIMR-UHFFFAOYSA-N -1 3 294.347 3.380 20 0 CGADHM O=c1cc(-c2ccc(F)c([O-])c2)ccn1-c1ccc(F)cc1 ZINC001243048301 823225495 /nfs/dbraw/zinc/22/54/95/823225495.db2.gz VFVSADGTQXRPHP-UHFFFAOYSA-N -1 3 299.276 3.488 20 0 CGADHM [O-]c1cc(-c2nc(C3CC3)nc3[nH]ccc32)ccc1F ZINC001243051564 823228498 /nfs/dbraw/zinc/22/84/98/823228498.db2.gz VWBJNKRUVFHXLA-UHFFFAOYSA-N -1 3 269.279 3.299 20 0 CGADHM [O-]c1cc(-c2cc(C(F)(F)F)[nH]c(=S)n2)ccc1F ZINC001243050499 823227646 /nfs/dbraw/zinc/22/76/46/823227646.db2.gz VBNLNYKSZHMSLP-UHFFFAOYSA-N -1 3 290.241 3.296 20 0 CGADHM CC(C)Oc1ncccc1COc1ccc2c([O-])coc2c1 ZINC001225340134 817016175 /nfs/dbraw/zinc/01/61/75/817016175.db2.gz DKUDSVASDXTWOB-UHFFFAOYSA-N -1 3 299.326 3.023 20 0 CGADHM [O-]c1coc2cc(OC[C@@H]3CCc4ccccc4O3)ccc12 ZINC001225339657 817016369 /nfs/dbraw/zinc/01/63/69/817016369.db2.gz NXUCGOOJUGIELP-AWEZNQCLSA-N -1 3 296.322 3.034 20 0 CGADHM [O-]c1coc2cc(O[C@H]3CCOc4ccccc43)ccc12 ZINC001225342003 817018140 /nfs/dbraw/zinc/01/81/40/817018140.db2.gz HOUVXTIFDPIJIE-INIZCTEOSA-N -1 3 282.295 3.164 20 0 CGADHM S=c1ccc(-c2ccc(Cl)nc2Cl)n[n-]1 ZINC001243081819 823240545 /nfs/dbraw/zinc/24/05/45/823240545.db2.gz CFYRSUYKDHMUTR-UHFFFAOYSA-N -1 3 258.133 3.134 20 0 CGADHM C[C@H]1CC[C@H](Oc2nc(=O)[n-]cc2C(F)(F)F)CC1 ZINC001225579621 817099487 /nfs/dbraw/zinc/09/94/87/817099487.db2.gz NQXYZUPGTYWHBN-ZKCHVHJHSA-N -1 3 276.258 3.159 20 0 CGADHM C[C@H](Oc1[n-]c(=O)ncc1C(F)(F)F)c1cccs1 ZINC001225579982 817099646 /nfs/dbraw/zinc/09/96/46/817099646.db2.gz RFTXBRVJGYQYDD-LURJTMIESA-N -1 3 290.266 3.403 20 0 CGADHM COc1ccc([C@@H](C)Oc2[n-]c(=S)ncc2C)cc1 ZINC001225743052 817163711 /nfs/dbraw/zinc/16/37/11/817163711.db2.gz RGUZNBDORMMRDP-SNVBAGLBSA-N -1 3 276.361 3.222 20 0 CGADHM C[C@@H](Oc1cc(C(F)(F)F)[n-]c(=S)n1)C1CCC1 ZINC001225852349 817196275 /nfs/dbraw/zinc/19/62/75/817196275.db2.gz GWPFJZCEZGDNHY-ZCFIWIBFSA-N -1 3 278.299 3.352 20 0 CGADHM CSc1cccc(F)c1-c1cccc(-c2nnn[n-]2)c1 ZINC001243118585 823252322 /nfs/dbraw/zinc/25/23/22/823252322.db2.gz IPROMXBVDIPVGZ-UHFFFAOYSA-N -1 3 286.335 3.395 20 0 CGADHM CSc1cccc(F)c1-c1cccc(-c2nn[n-]n2)c1 ZINC001243118585 823252324 /nfs/dbraw/zinc/25/23/24/823252324.db2.gz IPROMXBVDIPVGZ-UHFFFAOYSA-N -1 3 286.335 3.395 20 0 CGADHM COC(C)(C)C[C@H](C)Oc1cc(C(C)=O)ccc1[O-] ZINC001225994865 817241370 /nfs/dbraw/zinc/24/13/70/817241370.db2.gz OUBOBWCLQLDPSY-JTQLQIEISA-N -1 3 266.337 3.177 20 0 CGADHM CC(=O)c1ccc([O-])c(O[C@H](C)c2ccccn2)c1 ZINC001225994715 817242218 /nfs/dbraw/zinc/24/22/18/817242218.db2.gz NWRPAPFPIIFYHE-LLVKDONJSA-N -1 3 257.289 3.130 20 0 CGADHM Cc1c(=O)[n-]cnc1O[C@H](C)c1cc(-c2ccccc2)no1 ZINC001226077322 817267958 /nfs/dbraw/zinc/26/79/58/817267958.db2.gz RCXVSAVHLYOYHQ-LLVKDONJSA-N -1 3 297.314 3.286 20 0 CGADHM S=c1ncc(C2CC2)c(O[C@@H]2CCCc3cccnc32)[n-]1 ZINC001226116675 817276955 /nfs/dbraw/zinc/27/69/55/817276955.db2.gz DRAMKAVSVZHIPJ-CYBMUJFWSA-N -1 3 299.399 3.494 20 0 CGADHM S=c1nc2c(c(O[C@@H]3CCc4ccccc43)[n-]1)CCC2 ZINC001226299271 817321863 /nfs/dbraw/zinc/32/18/63/817321863.db2.gz ZBFMVLRWWZQOQN-CQSZACIVSA-N -1 3 284.384 3.320 20 0 CGADHM CC(=O)c1ccc([O-])c(OC2CCC(F)(F)CC2)c1O ZINC001226480091 817369686 /nfs/dbraw/zinc/36/96/86/817369686.db2.gz ZBSZDZHPTLWOPQ-UHFFFAOYSA-N -1 3 286.274 3.257 20 0 CGADHM CC(=O)c1ccc([O-])c(O[C@H](C(C)C)C(F)(F)F)c1O ZINC001226478827 817370117 /nfs/dbraw/zinc/37/01/17/817370117.db2.gz JIQGWQMWGMXLAR-GFCCVEGCSA-N -1 3 292.253 3.266 20 0 CGADHM CC(=O)c1ccc([O-])c(O[C@H](C)c2ccc(C)nc2)c1O ZINC001226482762 817371221 /nfs/dbraw/zinc/37/12/21/817371221.db2.gz QCUUITLTTIRXOR-LLVKDONJSA-N -1 3 287.315 3.144 20 0 CGADHM CCOc1ccc([C@@H](C)Oc2cc(=O)[n-]c(C)n2)cc1 ZINC001226511371 817380830 /nfs/dbraw/zinc/38/08/30/817380830.db2.gz XXCLALVEUZPQAG-SNVBAGLBSA-N -1 3 274.320 3.029 20 0 CGADHM Cc1cc(=O)oc2cc([O-])c(O[C@@H](C)C(C)C)cc12 ZINC001226531542 817390437 /nfs/dbraw/zinc/39/04/37/817390437.db2.gz CIPXPVYZUYOCAN-JTQLQIEISA-N -1 3 262.305 3.230 20 0 CGADHM O=c1ccc2ccc([O-])c(O[C@H]3CC4CCC3CC4)c2o1 ZINC001226597470 817409969 /nfs/dbraw/zinc/40/99/69/817409969.db2.gz ULELGSOMLKDQKG-MGULZYLOSA-N -1 3 286.327 3.456 20 0 CGADHM Cc1cc(O[C@H]2CCc3cc(F)ccc32)[n-]c(=S)n1 ZINC001226803297 817469376 /nfs/dbraw/zinc/46/93/76/817469376.db2.gz SOFDMYHRUDAGKV-LBPRGKRZSA-N -1 3 276.336 3.279 20 0 CGADHM COc1cnc(=O)[n-]c1O[C@@H]1Cc2cccc3cccc1c23 ZINC001226822555 817476066 /nfs/dbraw/zinc/47/60/66/817476066.db2.gz NRMDZTFMGLEBKX-CYBMUJFWSA-N -1 3 294.310 3.020 20 0 CGADHM C[C@H](Oc1cnc[n-]c1=O)c1cccc(C(F)(F)F)c1 ZINC001227048277 817543028 /nfs/dbraw/zinc/54/30/28/817543028.db2.gz BQPOMWIBVZKDJO-QMMMGPOBSA-N -1 3 284.237 3.341 20 0 CGADHM C[C@@H]1CC[C@H](Oc2cc(=O)cc(C(F)(F)F)[n-]2)C1 ZINC001227586508 817676088 /nfs/dbraw/zinc/67/60/88/817676088.db2.gz MRSOZQCGMCALPF-APPZFPTMSA-N -1 3 261.243 3.373 20 0 CGADHM CO[C@H](C)CCOc1c([O-])cc(Br)cc1F ZINC001227587689 817677763 /nfs/dbraw/zinc/67/77/63/817677763.db2.gz LNIWJRBDHJWXQD-SSDOTTSWSA-N -1 3 293.132 3.098 20 0 CGADHM COC(=O)c1ccc([O-])c(O[C@H](c2ccccc2)C2CC2)n1 ZINC001227823359 817727129 /nfs/dbraw/zinc/72/71/29/817727129.db2.gz XLMSAALTYLUIPF-OAHLLOKOSA-N -1 3 299.326 3.104 20 0 CGADHM CCC[C@@H](C)[C@@H](CC)Oc1nc(C(=O)OC)ccc1[O-] ZINC001227824409 817727880 /nfs/dbraw/zinc/72/78/80/817727880.db2.gz GWJVROITEPUPBA-ZWNOBZJWSA-N -1 3 281.352 3.167 20 0 CGADHM COc1ccc(-c2ccc(C(=O)[O-])cc2C)cc1CN(C)C ZINC001243204994 823290456 /nfs/dbraw/zinc/29/04/56/823290456.db2.gz CURYPWCJZMLSJT-UHFFFAOYSA-N -1 3 299.370 3.430 20 0 CGADHM Cc1cc(=O)oc2c1ccc([O-])c2O[C@@H]1CCCC[C@@H]1F ZINC001228621555 817956658 /nfs/dbraw/zinc/95/66/58/817956658.db2.gz CEJWBTWLMSXDSG-WCQYABFASA-N -1 3 292.306 3.467 20 0 CGADHM C[C@@H]1CC[C@H](C)[C@H](Oc2nnc(-c3cccnc3)[n-]2)C1 ZINC001228694777 817975572 /nfs/dbraw/zinc/97/55/72/817975572.db2.gz FONKJNMNCQJXOU-NTZNESFSSA-N -1 3 272.352 3.070 20 0 CGADHM C[C@@H]1CC[C@H](C)[C@H](Oc2nc(-c3cccnc3)n[n-]2)C1 ZINC001228694777 817975578 /nfs/dbraw/zinc/97/55/78/817975578.db2.gz FONKJNMNCQJXOU-NTZNESFSSA-N -1 3 272.352 3.070 20 0 CGADHM C[C@@H]1CC[C@H](C)[C@H](Oc2n[n-]c(-c3cccnc3)n2)C1 ZINC001228694777 817975579 /nfs/dbraw/zinc/97/55/79/817975579.db2.gz FONKJNMNCQJXOU-NTZNESFSSA-N -1 3 272.352 3.070 20 0 CGADHM C[C@@H]1CC[C@H](Oc2nnc(-c3cccnc3)[n-]2)C[C@@H]1C ZINC001228698118 817976497 /nfs/dbraw/zinc/97/64/97/817976497.db2.gz NCJLYCQXMYWZBN-MDZLAQPJSA-N -1 3 272.352 3.070 20 0 CGADHM C[C@@H]1CC[C@H](Oc2nc(-c3cccnc3)n[n-]2)C[C@@H]1C ZINC001228698118 817976503 /nfs/dbraw/zinc/97/65/03/817976503.db2.gz NCJLYCQXMYWZBN-MDZLAQPJSA-N -1 3 272.352 3.070 20 0 CGADHM C[C@@H]1CC[C@H](Oc2n[n-]c(-c3cccnc3)n2)C[C@@H]1C ZINC001228698118 817976506 /nfs/dbraw/zinc/97/65/06/817976506.db2.gz NCJLYCQXMYWZBN-MDZLAQPJSA-N -1 3 272.352 3.070 20 0 CGADHM CC(C)=CCC[C@@H](C)Oc1n[n-]c(-c2ccncc2)n1 ZINC001228700881 817978928 /nfs/dbraw/zinc/97/89/28/817978928.db2.gz ZEOPOMUOOOEZPD-GFCCVEGCSA-N -1 3 272.352 3.380 20 0 CGADHM CCC[C@H](Oc1n[n-]c(-c2ccncc2)n1)[C@@H](C)CC ZINC001228698669 817978940 /nfs/dbraw/zinc/97/89/40/817978940.db2.gz ZUKVHWSPIGSGIA-AAEUAGOBSA-N -1 3 274.368 3.460 20 0 CGADHM CC(C)CCC[C@H](C)Oc1n[n-]c(-c2ccncc2)n1 ZINC001228699414 817979396 /nfs/dbraw/zinc/97/93/96/817979396.db2.gz DTVFBCCKVUWLNP-LBPRGKRZSA-N -1 3 274.368 3.460 20 0 CGADHM C[C@@H](Oc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC001231117304 818034454 /nfs/dbraw/zinc/03/44/54/818034454.db2.gz ZGDNNQPTRLCDHQ-SNVBAGLBSA-N -1 3 284.294 3.146 20 0 CGADHM C[C@@H](Oc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC001231117304 818034459 /nfs/dbraw/zinc/03/44/59/818034459.db2.gz ZGDNNQPTRLCDHQ-SNVBAGLBSA-N -1 3 284.294 3.146 20 0 CGADHM CCC[C@H](Oc1cccc(-c2nnn[n-]2)c1)[C@H](C)CC ZINC001231117737 818034953 /nfs/dbraw/zinc/03/49/53/818034953.db2.gz FTSCRZOHRXPQGR-RISCZKNCSA-N -1 3 274.368 3.460 20 0 CGADHM CCC[C@H](Oc1cccc(-c2nn[n-]n2)c1)[C@H](C)CC ZINC001231117737 818034957 /nfs/dbraw/zinc/03/49/57/818034957.db2.gz FTSCRZOHRXPQGR-RISCZKNCSA-N -1 3 274.368 3.460 20 0 CGADHM COc1ccc(CN2CC3(C2)CCCCC3)cc1C(=O)[O-] ZINC001231753215 818166139 /nfs/dbraw/zinc/16/61/39/818166139.db2.gz DEYKKIADINNWHB-UHFFFAOYSA-N -1 3 289.375 3.160 20 0 CGADHM CCC1CCN(Cc2cc(Cl)ncc2[O-])CC1 ZINC001233032891 818504425 /nfs/dbraw/zinc/50/44/25/818504425.db2.gz VYJFZHWLQQGRRC-UHFFFAOYSA-N -1 3 254.761 3.063 20 0 CGADHM [O-]c1cccc(CN2CCc3sccc3C2)c1F ZINC001233051389 818511027 /nfs/dbraw/zinc/51/10/27/818511027.db2.gz LWEYJFNFTUNJIP-UHFFFAOYSA-N -1 3 263.337 3.151 20 0 CGADHM COc1ccccc1CN(C)Cc1cccc([O-])c1F ZINC001233052803 818512372 /nfs/dbraw/zinc/51/23/72/818512372.db2.gz WOMGLBQGHGHQJX-UHFFFAOYSA-N -1 3 275.323 3.172 20 0 CGADHM [O-]c1cccc(CN2Cc3cnc(Cl)cc3C2)c1F ZINC001233055022 818514040 /nfs/dbraw/zinc/51/40/40/818514040.db2.gz JQWYNJXNFJJKRI-UHFFFAOYSA-N -1 3 278.714 3.096 20 0 CGADHM CN1CCN(Cc2ccc([S-])cc2)C[C@@H]1c1ccccc1 ZINC001233261220 818558477 /nfs/dbraw/zinc/55/84/77/818558477.db2.gz HLAHYOYPFIVLPF-GOSISDBHSA-N -1 3 298.455 3.464 20 0 CGADHM C[C@H]1CCC[C@H](C)N1Cc1c(F)ccc([O-])c1F ZINC001233393261 818609012 /nfs/dbraw/zinc/60/90/12/818609012.db2.gz LOPFMHNSMZVNHQ-UWVGGRQHSA-N -1 3 255.308 3.433 20 0 CGADHM C[C@@H]1CC[C@H](C)[C@@H](Oc2ccc3occ([O-])c3c2)C1 ZINC001233676979 818677413 /nfs/dbraw/zinc/67/74/13/818677413.db2.gz BXOLUQDJTBVOFH-GDLVEWKHSA-N -1 3 260.333 3.465 20 0 CGADHM C[C@@H](COc1ccccc1)Oc1ccc2occ([O-])c2c1 ZINC001233677337 818677626 /nfs/dbraw/zinc/67/76/26/818677626.db2.gz ISKVEJQTWHXNPX-LBPRGKRZSA-N -1 3 284.311 3.108 20 0 CGADHM C[C@@H](COc1ccc2occ([O-])c2c1)Oc1ccccc1 ZINC001233681092 818678710 /nfs/dbraw/zinc/67/87/10/818678710.db2.gz RJNSGEIELOOSBN-LBPRGKRZSA-N -1 3 284.311 3.108 20 0 CGADHM C[C@@H]1C[C@@H](Oc2c(Cl)ccc([O-])c2F)CCO1 ZINC001234263150 818819933 /nfs/dbraw/zinc/81/99/33/818819933.db2.gz SRTSRRJFTVESGU-SFYZADRCSA-N -1 3 260.692 3.131 20 0 CGADHM C[C@H]1C[C@@H](Oc2c([O-])cc(Cl)cc2F)CCO1 ZINC001234443040 818855857 /nfs/dbraw/zinc/85/58/57/818855857.db2.gz AMCYIWGYWNGFKZ-CBAPKCEASA-N -1 3 260.692 3.131 20 0 CGADHM O=C1CCC(Oc2c([O-])cc(Cl)cc2F)CC1 ZINC001234448513 818857847 /nfs/dbraw/zinc/85/78/47/818857847.db2.gz SZEDOWFZFMQAQA-UHFFFAOYSA-N -1 3 258.676 3.075 20 0 CGADHM C[C@@H](Oc1c([O-])cc(Cl)cc1F)c1ncccn1 ZINC001234445952 818858123 /nfs/dbraw/zinc/85/81/23/818858123.db2.gz CTLGIDYKTTZYFC-SSDOTTSWSA-N -1 3 268.675 3.115 20 0 CGADHM O=c1[n-]cnc(OC(C2CC2)C2CC2)c1-c1ccccc1 ZINC001234693444 818918255 /nfs/dbraw/zinc/91/82/55/818918255.db2.gz XIABPOQNLSJYDR-UHFFFAOYSA-N -1 3 282.343 3.417 20 0 CGADHM C[C@@H](COc1ccccc1)Oc1nc2ccsc2[n-]1 ZINC001234846882 818932219 /nfs/dbraw/zinc/93/22/19/818932219.db2.gz DMHUABSMNCQMJB-JTQLQIEISA-N -1 3 274.345 3.471 20 0 CGADHM C[C@@H](COc1ccccc1)Oc1nc2sccc2[n-]1 ZINC001234846882 818932221 /nfs/dbraw/zinc/93/22/21/818932221.db2.gz DMHUABSMNCQMJB-JTQLQIEISA-N -1 3 274.345 3.471 20 0 CGADHM c1cc2nc(O[C@@H]3CCCc4cccnc43)[n-]c2s1 ZINC001234852108 818934500 /nfs/dbraw/zinc/93/45/00/818934500.db2.gz RQAAJUYZCDYYPY-LLVKDONJSA-N -1 3 271.345 3.476 20 0 CGADHM C[C@H](COC(C)(C)C)Oc1nc2ccsc2[n-]1 ZINC001234852763 818934815 /nfs/dbraw/zinc/93/48/15/818934815.db2.gz YVGFOBCDIXIQRY-MRVPVSSYSA-N -1 3 254.355 3.207 20 0 CGADHM C[C@H](COC(C)(C)C)Oc1nc2sccc2[n-]1 ZINC001234852763 818934819 /nfs/dbraw/zinc/93/48/19/818934819.db2.gz YVGFOBCDIXIQRY-MRVPVSSYSA-N -1 3 254.355 3.207 20 0 CGADHM [O-]c1cc(Cl)cc(-c2ncnc3cnc(F)cc32)c1 ZINC001235899637 819208767 /nfs/dbraw/zinc/20/87/67/819208767.db2.gz JHNUKTRYOMLHIA-UHFFFAOYSA-N -1 3 275.670 3.190 20 0 CGADHM COC(=O)c1cc(F)cnc1-c1cc([O-])cc(Cl)c1 ZINC001235900256 819210339 /nfs/dbraw/zinc/21/03/39/819210339.db2.gz UKEUXXWXWOYLAG-UHFFFAOYSA-N -1 3 281.670 3.033 20 0 CGADHM Cc1cnc(-c2cc([O-])cc(Cl)c2)nc1N1CCCC1 ZINC001235900688 819210374 /nfs/dbraw/zinc/21/03/74/819210374.db2.gz VUSBAPUNRGYGGS-UHFFFAOYSA-N -1 3 289.766 3.411 20 0 CGADHM [O-]c1cc(Cl)cc(-c2cc(O[C@H]3CCOC3)ccn2)c1 ZINC001235909017 819216726 /nfs/dbraw/zinc/21/67/26/819216726.db2.gz MFKHXGOKGHORTD-AWEZNQCLSA-N -1 3 291.734 3.275 20 0 CGADHM Nc1cc(-c2cc(C(F)(F)F)[n-]c(=S)n2)ccc1F ZINC001243451781 823408668 /nfs/dbraw/zinc/40/86/68/823408668.db2.gz GRVLSWUKVZTSFB-UHFFFAOYSA-N -1 3 289.257 3.172 20 0 CGADHM Cc1cc(C)c(Cl)c(-c2cncc(-c3nnn[n-]3)c2)c1 ZINC001236552813 819534980 /nfs/dbraw/zinc/53/49/80/819534980.db2.gz OJEHDUJGWUSOCO-UHFFFAOYSA-N -1 3 285.738 3.199 20 0 CGADHM Cc1cc(C)c(Cl)c(-c2cncc(-c3nn[n-]n3)c2)c1 ZINC001236552813 819534983 /nfs/dbraw/zinc/53/49/83/819534983.db2.gz OJEHDUJGWUSOCO-UHFFFAOYSA-N -1 3 285.738 3.199 20 0 CGADHM C[C@@H]1C[C@@H](F)CN1Cc1ccc(Br)c([O-])c1 ZINC001236691885 819573428 /nfs/dbraw/zinc/57/34/28/819573428.db2.gz LRKPCSOFLFYVEP-PSASIEDQSA-N -1 3 288.160 3.087 20 0 CGADHM [O-]c1cc(CN2CCCCC(F)(F)C2)ccc1F ZINC001236704718 819577241 /nfs/dbraw/zinc/57/72/41/819577241.db2.gz ZXKQPLGLCBUTHP-UHFFFAOYSA-N -1 3 259.271 3.153 20 0 CGADHM FC(F)(F)[C@H]1CCCCN1Cc1occc1[S-] ZINC001237180478 819687578 /nfs/dbraw/zinc/68/75/78/819687578.db2.gz XQHPXYSEFRSZAX-SNVBAGLBSA-N -1 3 265.300 3.485 20 0 CGADHM O=C1CN(Cc2occc2[S-])Cc2ccc(Cl)cc21 ZINC001237188238 819692858 /nfs/dbraw/zinc/69/28/58/819692858.db2.gz TYZSNQZFLIPZPE-UHFFFAOYSA-N -1 3 293.775 3.420 20 0 CGADHM COC(=O)[C@H](C)c1ccc(-c2cccc([O-])c2F)cc1 ZINC001243547894 823440541 /nfs/dbraw/zinc/44/05/41/823440541.db2.gz WACPYSWSAVESHM-SNVBAGLBSA-N -1 3 274.291 3.475 20 0 CGADHM COC(=O)c1ccc(F)cc1-c1cccc([O-])c1F ZINC001243545172 823438335 /nfs/dbraw/zinc/43/83/35/823438335.db2.gz VTPBDFFXUUKDPB-UHFFFAOYSA-N -1 3 264.227 3.124 20 0 CGADHM COC(=O)c1nc2ccc(-c3cccc([O-])c3F)cc2o1 ZINC001243546876 823439253 /nfs/dbraw/zinc/43/92/53/823439253.db2.gz KBWUZYZSBVLBBE-UHFFFAOYSA-N -1 3 287.246 3.126 20 0 CGADHM CSc1cc(-c2cccc(-c3nnn[n-]3)c2)ccc1F ZINC001238967346 820172899 /nfs/dbraw/zinc/17/28/99/820172899.db2.gz PDQVECQVHGSTCK-UHFFFAOYSA-N -1 3 286.335 3.395 20 0 CGADHM CSc1cc(-c2cccc(-c3nn[n-]n3)c2)ccc1F ZINC001238967346 820172904 /nfs/dbraw/zinc/17/29/04/820172904.db2.gz PDQVECQVHGSTCK-UHFFFAOYSA-N -1 3 286.335 3.395 20 0 CGADHM Cc1cc(-c2nnn[n-]2)ccc1-c1cn(C)c2ccccc12 ZINC001239546023 820400346 /nfs/dbraw/zinc/40/03/46/820400346.db2.gz KWWNCBLHLNKDJK-UHFFFAOYSA-N -1 3 289.342 3.334 20 0 CGADHM Cc1cc(-c2nn[n-]n2)ccc1-c1cn(C)c2ccccc12 ZINC001239546023 820400352 /nfs/dbraw/zinc/40/03/52/820400352.db2.gz KWWNCBLHLNKDJK-UHFFFAOYSA-N -1 3 289.342 3.334 20 0 CGADHM Cc1ccc(-c2cccc(F)c2F)cc1-c1nnn[n-]1 ZINC001239707377 820535625 /nfs/dbraw/zinc/53/56/25/820535625.db2.gz OGXXJEPLLOQHIF-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM Cc1ccc(-c2cccc(F)c2F)cc1-c1nn[n-]n1 ZINC001239707377 820535630 /nfs/dbraw/zinc/53/56/30/820535630.db2.gz OGXXJEPLLOQHIF-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM COc1ccc(-c2ccc(-c3nnn[n-]3)cc2C)c(C)c1 ZINC001239829467 820644892 /nfs/dbraw/zinc/64/48/92/820644892.db2.gz GFVNOBGATFYTIC-UHFFFAOYSA-N -1 3 280.331 3.159 20 0 CGADHM COc1ccc(-c2ccc(-c3nn[n-]n3)cc2C)c(C)c1 ZINC001239829467 820644897 /nfs/dbraw/zinc/64/48/97/820644897.db2.gz GFVNOBGATFYTIC-UHFFFAOYSA-N -1 3 280.331 3.159 20 0 CGADHM Cc1ccc(F)c(-c2ccc(C)c(-c3nnn[n-]3)c2)c1 ZINC001239966519 820745067 /nfs/dbraw/zinc/74/50/67/820745067.db2.gz IRAYFMLAVDXXRF-UHFFFAOYSA-N -1 3 268.295 3.290 20 0 CGADHM Cc1ccc(F)c(-c2ccc(C)c(-c3nn[n-]n3)c2)c1 ZINC001239966519 820745077 /nfs/dbraw/zinc/74/50/77/820745077.db2.gz IRAYFMLAVDXXRF-UHFFFAOYSA-N -1 3 268.295 3.290 20 0 CGADHM S=C1Cc2ccc(-c3ccn4ccnc4c3)cc2[N-]1 ZINC001240517739 821115607 /nfs/dbraw/zinc/11/56/07/821115607.db2.gz DDEKJQOHOBTSRU-UHFFFAOYSA-N -1 3 265.341 3.297 20 0 CGADHM COc1ccc(-c2nnn[n-]2)cc1-c1ccc2cc[nH]c2c1 ZINC001240797707 821339852 /nfs/dbraw/zinc/33/98/52/821339852.db2.gz GMOWJGLLNBJGIA-UHFFFAOYSA-N -1 3 291.314 3.024 20 0 CGADHM COc1ccc(-c2nn[n-]n2)cc1-c1ccc2cc[nH]c2c1 ZINC001240797707 821339859 /nfs/dbraw/zinc/33/98/59/821339859.db2.gz GMOWJGLLNBJGIA-UHFFFAOYSA-N -1 3 291.314 3.024 20 0 CGADHM CCOC(=O)c1cc(C)nc(-c2ccc([O-])c(F)c2)c1 ZINC001240782190 821320725 /nfs/dbraw/zinc/32/07/25/821320725.db2.gz TXUXWVFLIWONQT-UHFFFAOYSA-N -1 3 275.279 3.078 20 0 CGADHM CSc1nc2c(c(-c3ccc([O-])c(F)c3)n1)CCC2 ZINC001240782150 821320943 /nfs/dbraw/zinc/32/09/43/821320943.db2.gz ROJMHYRQZJJTLF-UHFFFAOYSA-N -1 3 276.336 3.199 20 0 CGADHM CCOC(=O)c1cc(-c2ccc([O-])c(F)c2)ncc1C ZINC001240781941 821321669 /nfs/dbraw/zinc/32/16/69/821321669.db2.gz LVXGVXPSNHKNOE-UHFFFAOYSA-N -1 3 275.279 3.078 20 0 CGADHM COC(OC)c1cc(C)cnc1-c1ccc([O-])c(F)c1 ZINC001240783584 821323799 /nfs/dbraw/zinc/32/37/99/821323799.db2.gz WCKMSZSQQILYEU-UHFFFAOYSA-N -1 3 277.295 3.193 20 0 CGADHM Cc1nc2c(c(-c3ccc([O-])c(F)c3)n1)CCCC2 ZINC001240783657 821324069 /nfs/dbraw/zinc/32/40/69/821324069.db2.gz XKXMHDSCHOOTRY-UHFFFAOYSA-N -1 3 258.296 3.176 20 0 CGADHM O=C1CCc2ccc(-c3ccc([O-])c(F)c3)cc2N1 ZINC001240785838 821325734 /nfs/dbraw/zinc/32/57/34/821325734.db2.gz PTOVIPGUTDEFPU-UHFFFAOYSA-N -1 3 257.264 3.083 20 0 CGADHM CCOC(=O)c1cccc(-c2ccc([O-])c(F)c2)c1 ZINC001240786952 821326385 /nfs/dbraw/zinc/32/63/85/821326385.db2.gz DDUPHJKLWJKVSN-UHFFFAOYSA-N -1 3 260.264 3.375 20 0 CGADHM COC(=O)c1cc(F)c(-c2ccc([O-])c(F)c2)cc1F ZINC001240786873 821327483 /nfs/dbraw/zinc/32/74/83/821327483.db2.gz ZJFBVHGLCUBXTN-UHFFFAOYSA-N -1 3 282.217 3.263 20 0 CGADHM COC(=O)c1cc(-c2ccc([O-])c(F)c2)c(C)cc1OC ZINC001240786837 821327517 /nfs/dbraw/zinc/32/75/17/821327517.db2.gz XPIHQSMBUYCHEW-UHFFFAOYSA-N -1 3 290.290 3.302 20 0 CGADHM CC(C)S(=O)(=O)c1cccc(-c2ccc([O-])c(F)c2)c1 ZINC001240786957 821328030 /nfs/dbraw/zinc/32/80/30/821328030.db2.gz DJVCVXQRJOLFAY-UHFFFAOYSA-N -1 3 294.347 3.380 20 0 CGADHM [O-]c1ccc(-c2cccc3c2CCC32OCCO2)cc1F ZINC001240789279 821332938 /nfs/dbraw/zinc/33/29/38/821332938.db2.gz WWAUCSHEMHKXEP-UHFFFAOYSA-N -1 3 286.302 3.344 20 0 CGADHM COC(=O)c1ccc(-c2ccc([O-])c(F)c2)c(F)c1F ZINC001240790510 821333455 /nfs/dbraw/zinc/33/34/55/821333455.db2.gz NBNANCDXTMUZKP-UHFFFAOYSA-N -1 3 282.217 3.263 20 0 CGADHM CSc1ncc2c(ccnc2-c2ccccc2[O-])n1 ZINC001241008123 821485462 /nfs/dbraw/zinc/48/54/62/821485462.db2.gz KMXNXVASPXOASG-UHFFFAOYSA-N -1 3 269.329 3.119 20 0 CGADHM COC(=O)c1cnc(-c2ccccc2[O-])cc1C(F)(F)F ZINC001241009013 821485730 /nfs/dbraw/zinc/48/57/30/821485730.db2.gz YJIPERWFMODPPN-UHFFFAOYSA-N -1 3 297.232 3.260 20 0 CGADHM [O-]c1ccccc1-c1cncc(N2CCCCCC2)n1 ZINC001241009441 821487100 /nfs/dbraw/zinc/48/71/00/821487100.db2.gz PTQOTTREOGMVBP-UHFFFAOYSA-N -1 3 269.348 3.230 20 0 CGADHM Cc1ccc(-c2nc(C3CC3)nc(C)c2F)c([O-])c1 ZINC001241035807 821511527 /nfs/dbraw/zinc/51/15/27/821511527.db2.gz IZFSDNJRTOHONB-UHFFFAOYSA-N -1 3 258.296 3.483 20 0 CGADHM CCO/C=C\c1nccnc1-c1ccc(C)cc1[O-] ZINC001241036524 821511696 /nfs/dbraw/zinc/51/16/96/821511696.db2.gz ZGLCCKUNKHCBSY-TWGQIWQCSA-N -1 3 256.305 3.165 20 0 CGADHM Fc1ccc(-c2cc(F)c(F)cc2F)cc1-c1nnn[n-]1 ZINC001241111706 821566214 /nfs/dbraw/zinc/56/62/14/821566214.db2.gz FVIAZUDHCXVJLF-UHFFFAOYSA-N -1 3 294.211 3.090 20 0 CGADHM Fc1ccc(-c2cc(F)c(F)cc2F)cc1-c1nn[n-]n1 ZINC001241111706 821566218 /nfs/dbraw/zinc/56/62/18/821566218.db2.gz FVIAZUDHCXVJLF-UHFFFAOYSA-N -1 3 294.211 3.090 20 0 CGADHM CCOc1ccc(-c2ccccc2-c2nnn[n-]2)cc1C ZINC001241198248 821632808 /nfs/dbraw/zinc/63/28/08/821632808.db2.gz VNLIFYHWAAGACB-UHFFFAOYSA-N -1 3 280.331 3.241 20 0 CGADHM CCOc1ccc(-c2ccccc2-c2nn[n-]n2)cc1C ZINC001241198248 821632810 /nfs/dbraw/zinc/63/28/10/821632810.db2.gz VNLIFYHWAAGACB-UHFFFAOYSA-N -1 3 280.331 3.241 20 0 CGADHM Fc1cc(-c2ccc(-c3nnn[n-]3)cc2)ccc1Cl ZINC001241232386 821656879 /nfs/dbraw/zinc/65/68/79/821656879.db2.gz SRAJRDQIJAKQRJ-UHFFFAOYSA-N -1 3 274.686 3.326 20 0 CGADHM Fc1cc(-c2ccc(-c3nn[n-]n3)cc2)ccc1Cl ZINC001241232386 821656884 /nfs/dbraw/zinc/65/68/84/821656884.db2.gz SRAJRDQIJAKQRJ-UHFFFAOYSA-N -1 3 274.686 3.326 20 0 CGADHM O=C([O-])c1cc(-c2cc(N3CCCC3)ccn2)ccc1F ZINC001241244426 821665968 /nfs/dbraw/zinc/66/59/68/821665968.db2.gz JFVNJDGLGWBHCN-UHFFFAOYSA-N -1 3 286.306 3.186 20 0 CGADHM Nc1cc(-c2cc([O-])cc(F)c2)nc(C(F)(F)F)c1 ZINC001241256567 821677172 /nfs/dbraw/zinc/67/71/72/821677172.db2.gz XXIVZRRQNVHLBV-UHFFFAOYSA-N -1 3 272.201 3.194 20 0 CGADHM COCc1cc(-c2cc([O-])cc(F)c2)nc(C(C)(C)C)n1 ZINC001241261349 821681252 /nfs/dbraw/zinc/68/12/52/821681252.db2.gz KPEUGTVWBLSBLA-UHFFFAOYSA-N -1 3 290.338 3.432 20 0 CGADHM CCOc1cccc(-c2ccccc2-c2nnn[n-]2)c1F ZINC001241264552 821684629 /nfs/dbraw/zinc/68/46/29/821684629.db2.gz GYIJQJXKXDNXQM-UHFFFAOYSA-N -1 3 284.294 3.072 20 0 CGADHM CCOc1cccc(-c2ccccc2-c2nn[n-]n2)c1F ZINC001241264552 821684635 /nfs/dbraw/zinc/68/46/35/821684635.db2.gz GYIJQJXKXDNXQM-UHFFFAOYSA-N -1 3 284.294 3.072 20 0 CGADHM COC(=O)[C@H](C)c1ccc(-c2cc([O-])cc(F)c2)cc1 ZINC001241271064 821689548 /nfs/dbraw/zinc/68/95/48/821689548.db2.gz KFZNYWODWJBYDF-SNVBAGLBSA-N -1 3 274.291 3.475 20 0 CGADHM Cc1cc(-c2cc([O-])cc(F)c2)cc2c1NC(=O)CC2 ZINC001241277317 821696726 /nfs/dbraw/zinc/69/67/26/821696726.db2.gz IMXGUKAPZGPIEK-UHFFFAOYSA-N -1 3 271.291 3.391 20 0 CGADHM COc1cc(OC)cc(-c2c(F)ccc([O-])c2F)c1 ZINC001241290739 821708036 /nfs/dbraw/zinc/70/80/36/821708036.db2.gz FOHOHORWMPTXRJ-UHFFFAOYSA-N -1 3 266.243 3.355 20 0 CGADHM O=c1ccc2cc(-c3c(F)ccc([O-])c3F)ccc2o1 ZINC001241292271 821708966 /nfs/dbraw/zinc/70/89/66/821708966.db2.gz ADUXPGVYWXRZAZ-UHFFFAOYSA-N -1 3 274.222 3.444 20 0 CGADHM [O-]c1ccc(F)c(-c2ccccc2C2OCCO2)c1F ZINC001241292551 821709763 /nfs/dbraw/zinc/70/97/63/821709763.db2.gz FXLPSLLESXWJOL-UHFFFAOYSA-N -1 3 278.254 3.383 20 0 CGADHM CSc1ccc(-c2c(F)ccc([O-])c2F)cn1 ZINC001241292890 821710451 /nfs/dbraw/zinc/71/04/51/821710451.db2.gz LXNVYRUHCDWCMA-UHFFFAOYSA-N -1 3 253.273 3.454 20 0 CGADHM Cc1cc(-c2c(F)ccc([O-])c2F)cn2ccnc12 ZINC001241293338 821710779 /nfs/dbraw/zinc/71/07/79/821710779.db2.gz UFYHVXXZJWWSNQ-UHFFFAOYSA-N -1 3 260.243 3.294 20 0 CGADHM COc1ncc(C)cc1-c1c(F)ccc([O-])c1F ZINC001241293274 821711328 /nfs/dbraw/zinc/71/13/28/821711328.db2.gz FUZHZYOLTBDPHZ-UHFFFAOYSA-N -1 3 251.232 3.049 20 0 CGADHM [O-]c1ccc(F)c(-c2ccc3[nH]cnc3c2F)c1F ZINC001241294123 821712686 /nfs/dbraw/zinc/71/26/86/821712686.db2.gz LCZHOFIUIGCFQO-UHFFFAOYSA-N -1 3 264.206 3.353 20 0 CGADHM O=C1CC[C@@H](c2ccc(-c3c(F)ccc([O-])c3F)cc2)N1 ZINC001241295253 821714305 /nfs/dbraw/zinc/71/43/05/821714305.db2.gz KZUFPQXNNHQYTR-LBPRGKRZSA-N -1 3 289.281 3.289 20 0 CGADHM CSc1cccc(-c2cc(-c3nnn[n-]3)ccc2F)c1 ZINC001241316359 821727161 /nfs/dbraw/zinc/72/71/61/821727161.db2.gz PNNUXBSRACUJSA-UHFFFAOYSA-N -1 3 286.335 3.395 20 0 CGADHM CSc1cccc(-c2cc(-c3nn[n-]n3)ccc2F)c1 ZINC001241316359 821727167 /nfs/dbraw/zinc/72/71/67/821727167.db2.gz PNNUXBSRACUJSA-UHFFFAOYSA-N -1 3 286.335 3.395 20 0 CGADHM Fc1ccc(Cl)cc1-c1cccc(-c2nnn[n-]2)c1 ZINC001241331336 821738281 /nfs/dbraw/zinc/73/82/81/821738281.db2.gz AKBIBJSLJWETDD-UHFFFAOYSA-N -1 3 274.686 3.326 20 0 CGADHM Fc1ccc(Cl)cc1-c1cccc(-c2nn[n-]n2)c1 ZINC001241331336 821738291 /nfs/dbraw/zinc/73/82/91/821738291.db2.gz AKBIBJSLJWETDD-UHFFFAOYSA-N -1 3 274.686 3.326 20 0 CGADHM Cc1cc2c(ccnc2-c2ccc(-c3nnn[n-]3)cc2)s1 ZINC001241440918 821834694 /nfs/dbraw/zinc/83/46/94/821834694.db2.gz GAOHMQCLMYLELX-UHFFFAOYSA-N -1 3 293.355 3.452 20 0 CGADHM Cc1cc2c(ccnc2-c2ccc(-c3nn[n-]n3)cc2)s1 ZINC001241440918 821834701 /nfs/dbraw/zinc/83/47/01/821834701.db2.gz GAOHMQCLMYLELX-UHFFFAOYSA-N -1 3 293.355 3.452 20 0 CGADHM COc1ccc(-c2ccc(-c3nnn[n-]3)cc2)c(C)c1C ZINC001241443650 821839243 /nfs/dbraw/zinc/83/92/43/821839243.db2.gz JKAKVWJHGUEHKQ-UHFFFAOYSA-N -1 3 280.331 3.159 20 0 CGADHM COc1ccc(-c2ccc(-c3nn[n-]n3)cc2)c(C)c1C ZINC001241443650 821839252 /nfs/dbraw/zinc/83/92/52/821839252.db2.gz JKAKVWJHGUEHKQ-UHFFFAOYSA-N -1 3 280.331 3.159 20 0 CGADHM C=Cc1cc(F)ccc1-c1ccc(-c2nnn[n-]2)cc1 ZINC001241446203 821843329 /nfs/dbraw/zinc/84/33/29/821843329.db2.gz PUTUGTVFMHVQAW-UHFFFAOYSA-N -1 3 266.279 3.316 20 0 CGADHM C=Cc1cc(F)ccc1-c1ccc(-c2nn[n-]n2)cc1 ZINC001241446203 821843336 /nfs/dbraw/zinc/84/33/36/821843336.db2.gz PUTUGTVFMHVQAW-UHFFFAOYSA-N -1 3 266.279 3.316 20 0 CGADHM CCCOc1cccc(-c2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC001241590939 821975895 /nfs/dbraw/zinc/97/58/95/821975895.db2.gz XRERSVVWYHAKPE-UHFFFAOYSA-N -1 3 298.321 3.462 20 0 CGADHM CCCOc1cccc(-c2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC001241590939 821975903 /nfs/dbraw/zinc/97/59/03/821975903.db2.gz XRERSVVWYHAKPE-UHFFFAOYSA-N -1 3 298.321 3.462 20 0 CGADHM CC(C)Sc1ccc(-c2cncc(-c3nnn[n-]3)c2)cc1 ZINC001241611994 821992401 /nfs/dbraw/zinc/99/24/01/821992401.db2.gz NMMHTPRTTFOGSD-UHFFFAOYSA-N -1 3 297.387 3.429 20 0 CGADHM CC(C)Sc1ccc(-c2cncc(-c3nn[n-]n3)c2)cc1 ZINC001241611994 821992404 /nfs/dbraw/zinc/99/24/04/821992404.db2.gz NMMHTPRTTFOGSD-UHFFFAOYSA-N -1 3 297.387 3.429 20 0 CGADHM FC(F)(F)c1cc(-c2cccc3c[nH]nc32)nc(=S)[n-]1 ZINC001241622602 822000288 /nfs/dbraw/zinc/00/02/88/822000288.db2.gz SCLSSJQVKFJSSY-UHFFFAOYSA-N -1 3 296.277 3.327 20 0 CGADHM COc1cccc(-c2cccc(-c3nnn[n-]3)c2)c1Cl ZINC001241858976 822182982 /nfs/dbraw/zinc/18/29/82/822182982.db2.gz NYKVADTWHHTNPT-UHFFFAOYSA-N -1 3 286.722 3.196 20 0 CGADHM COc1cccc(-c2cccc(-c3nn[n-]n3)c2)c1Cl ZINC001241858976 822182989 /nfs/dbraw/zinc/18/29/89/822182989.db2.gz NYKVADTWHHTNPT-UHFFFAOYSA-N -1 3 286.722 3.196 20 0 CGADHM Cc1cc(-c2ccc([O-])c(C(F)(F)F)c2)ccc1C(N)=O ZINC001242162330 822900241 /nfs/dbraw/zinc/90/02/41/822900241.db2.gz KPAIGNQSYAFMAS-UHFFFAOYSA-N -1 3 295.260 3.485 20 0 CGADHM COCCOc1ccc(-c2ccc(F)cc2[O-])cc1 ZINC001242218202 822914969 /nfs/dbraw/zinc/91/49/69/822914969.db2.gz XLPVLFKPWJFQKB-UHFFFAOYSA-N -1 3 262.280 3.224 20 0 CGADHM [O-]c1cc(F)ccc1-c1ccc2c(c1)[C@@H](O)CCO2 ZINC001242218389 822915105 /nfs/dbraw/zinc/91/51/05/822915105.db2.gz BYQGOESYEACYAH-ZDUSSCGKSA-N -1 3 260.264 3.014 20 0 CGADHM COC(=O)CCc1cccc(-c2ccc(F)cc2[O-])c1 ZINC001242218726 822915369 /nfs/dbraw/zinc/91/53/69/822915369.db2.gz NDQRAFPOBANOEV-UHFFFAOYSA-N -1 3 274.291 3.304 20 0 CGADHM O=C1CCc2c(cccc2-c2ccc(F)cc2[O-])N1 ZINC001242218949 822915472 /nfs/dbraw/zinc/91/54/72/822915472.db2.gz TWSAZQHUMLGNIV-UHFFFAOYSA-N -1 3 257.264 3.083 20 0 CGADHM CN(C)Cc1ccc(-c2ccc(F)cc2[O-])cc1F ZINC001242219467 822915553 /nfs/dbraw/zinc/91/55/53/822915553.db2.gz GGHWREQYQHKLEO-UHFFFAOYSA-N -1 3 263.287 3.399 20 0 CGADHM COC(=O)c1nc2cc(-c3ccc(F)cc3[O-])ccc2o1 ZINC001242218727 822915559 /nfs/dbraw/zinc/91/55/59/822915559.db2.gz NDVGPIHIRQPHDX-UHFFFAOYSA-N -1 3 287.246 3.126 20 0 CGADHM O=c1ccc(-c2ccc(F)cc2[O-])cn1CC1CCC1 ZINC001242219695 822916546 /nfs/dbraw/zinc/91/65/46/822916546.db2.gz LYNXYQXBEUSHFX-UHFFFAOYSA-N -1 3 273.307 3.160 20 0 CGADHM COc1cc(-c2ccc(F)cc2[O-])cc(OC)c1OC ZINC001242220703 822916891 /nfs/dbraw/zinc/91/68/91/822916891.db2.gz MBLYZHNKNTUNMB-UHFFFAOYSA-N -1 3 278.279 3.224 20 0 CGADHM Fc1cc(-c2nnn[n-]2)cc(C2=CCC(F)(F)CC2)c1 ZINC001242236508 822920829 /nfs/dbraw/zinc/92/08/29/822920829.db2.gz OGJGUSLITJYEQL-UHFFFAOYSA-N -1 3 280.253 3.208 20 0 CGADHM Fc1cc(-c2nn[n-]n2)cc(C2=CCC(F)(F)CC2)c1 ZINC001242236508 822920832 /nfs/dbraw/zinc/92/08/32/822920832.db2.gz OGJGUSLITJYEQL-UHFFFAOYSA-N -1 3 280.253 3.208 20 0 CGADHM Cc1cccc(-c2cc(-c3nnn[n-]3)ccc2F)c1F ZINC001242239063 822922620 /nfs/dbraw/zinc/92/26/20/822922620.db2.gz UONKMAGASRWIMK-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM Cc1cccc(-c2cc(-c3nn[n-]n3)ccc2F)c1F ZINC001242239063 822922622 /nfs/dbraw/zinc/92/26/22/822922622.db2.gz UONKMAGASRWIMK-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM c1ccc(-c2ccc3cnccc3c2)c(-c2nnn[n-]2)c1 ZINC001242243411 822924769 /nfs/dbraw/zinc/92/47/69/822924769.db2.gz LGKMZBXQQTYFPD-UHFFFAOYSA-N -1 3 273.299 3.082 20 0 CGADHM c1ccc(-c2ccc3cnccc3c2)c(-c2nn[n-]n2)c1 ZINC001242243411 822924770 /nfs/dbraw/zinc/92/47/70/822924770.db2.gz LGKMZBXQQTYFPD-UHFFFAOYSA-N -1 3 273.299 3.082 20 0 CGADHM CCN(CC)C(=O)c1cncc(-c2cccc(F)c2[O-])c1 ZINC001242350176 822960626 /nfs/dbraw/zinc/96/06/26/822960626.db2.gz BHYGGJMIIQCIDX-UHFFFAOYSA-N -1 3 288.322 3.075 20 0 CGADHM Cc1nc2ccc(-c3cccc(F)c3[O-])cc2c(=O)o1 ZINC001242350470 822961101 /nfs/dbraw/zinc/96/11/01/822961101.db2.gz GUSFFICAQHJQFM-UHFFFAOYSA-N -1 3 271.247 3.008 20 0 CGADHM [O-]c1c(F)cccc1-c1ccc2nnc(C(F)(F)F)n2c1 ZINC001242350785 822961190 /nfs/dbraw/zinc/96/11/90/822961190.db2.gz KUKKXRXFFLUTAH-UHFFFAOYSA-N -1 3 297.211 3.260 20 0 CGADHM O=C1CSCN1c1ccc(-c2cccc(F)c2[O-])cc1 ZINC001242350759 822961196 /nfs/dbraw/zinc/96/11/96/822961196.db2.gz KFUWYZSNNCWCSI-UHFFFAOYSA-N -1 3 289.331 3.236 20 0 CGADHM COCc1cc(-c2cccc(F)c2[O-])ccc1F ZINC001242352182 822961938 /nfs/dbraw/zinc/96/19/38/822961938.db2.gz AACDUZKEKMOPHI-UHFFFAOYSA-N -1 3 250.244 3.484 20 0 CGADHM CN1CCOc2cc(-c3cccc(F)c3[O-])ccc21 ZINC001242351785 822962082 /nfs/dbraw/zinc/96/20/82/822962082.db2.gz SVZUZLQHIOCBOG-UHFFFAOYSA-N -1 3 259.280 3.027 20 0 CGADHM [O-]c1c(F)cccc1-c1ccc2c(c1)C1(CC2)OCCO1 ZINC001242353538 822963440 /nfs/dbraw/zinc/96/34/40/822963440.db2.gz GULPLRWWNNIHHZ-UHFFFAOYSA-N -1 3 286.302 3.344 20 0 CGADHM Fc1ccc(-c2cccc3cc[nH]c32)cc1-c1nnn[n-]1 ZINC001242363352 822967791 /nfs/dbraw/zinc/96/77/91/822967791.db2.gz KNBBYPSHAKMAAP-UHFFFAOYSA-N -1 3 279.278 3.154 20 0 CGADHM Fc1ccc(-c2cccc3cc[nH]c32)cc1-c1nn[n-]n1 ZINC001242363352 822967793 /nfs/dbraw/zinc/96/77/93/822967793.db2.gz KNBBYPSHAKMAAP-UHFFFAOYSA-N -1 3 279.278 3.154 20 0 CGADHM O=C(Cc1ccc(C2CCC2)cc1)[N-]OCC(F)(F)F ZINC001349332371 926769095 /nfs/dbraw/zinc/76/90/95/926769095.db2.gz YPTMXFHBTPNEJL-UHFFFAOYSA-N -1 3 287.281 3.107 20 0 CGADHM CCN(Cc1cc(=O)[n-]c(C2CC2)n1)c1cccc(C)c1 ZINC001473230598 937166631 /nfs/dbraw/zinc/16/66/31/937166631.db2.gz MKMXPDCPCSUQCX-UHFFFAOYSA-N -1 3 283.375 3.395 20 0 CGADHM FC(F)(c1cc(Cl)nc(=S)[n-]1)N1C2CCC1CC2 ZINC001159082494 928152468 /nfs/dbraw/zinc/15/24/68/928152468.db2.gz KDRCHJTZRGLNHB-UHFFFAOYSA-N -1 3 291.754 3.095 20 0 CGADHM CCc1ccc(C(=O)Nc2cnc(C(C)(C)C)nc2)c([O-])c1 ZINC001442304288 937342010 /nfs/dbraw/zinc/34/20/10/937342010.db2.gz TXKQFOMHBBOZLS-UHFFFAOYSA-N -1 3 299.374 3.294 20 0 CGADHM CCc1oc2ccccc2c1CC(=O)[N-]OCC1CCC1 ZINC001453741586 937404799 /nfs/dbraw/zinc/40/47/99/937404799.db2.gz QQKKWGDTXIUBIF-UHFFFAOYSA-N -1 3 287.359 3.386 20 0 CGADHM CC(=O)c1ccc(C(=O)N2Cc3ccccc3[C@@H]2C)cc1[O-] ZINC001454118192 937406939 /nfs/dbraw/zinc/40/69/39/937406939.db2.gz LVPPFGSGBLKOFQ-NSHDSACASA-N -1 3 295.338 3.312 20 0 CGADHM CC(C)=C[C@H]1[C@@H](C(=O)[N-]OCc2cccc(C)n2)C1(C)C ZINC001454239241 937407474 /nfs/dbraw/zinc/40/74/74/937407474.db2.gz HOSBXVXOPWAKPL-GJZGRUSLSA-N -1 3 288.391 3.176 20 0 CGADHM CCc1cccc(NC(=O)c2ccc(C)cc2[O-])c1O ZINC001456596790 937432569 /nfs/dbraw/zinc/43/25/69/937432569.db2.gz YRRJECAMXTUOGU-UHFFFAOYSA-N -1 3 271.316 3.221 20 0 CGADHM CCCCOc1ccc(C(=O)NCCC2CCC2)c([O-])c1 ZINC001457986552 937447906 /nfs/dbraw/zinc/44/79/06/937447906.db2.gz UQRZAPNDVCZFLQ-UHFFFAOYSA-N -1 3 291.391 3.491 20 0 CGADHM C[C@@H](Oc1ncc(Br)cc1[O-])c1ccncc1 ZINC001228953316 932058826 /nfs/dbraw/zinc/05/88/26/932058826.db2.gz QKHBQKQTEJDRKB-MRVPVSSYSA-N -1 3 295.136 3.085 20 0 CGADHM [O-]c1cc(O)cc(O[C@H]2C=CCCC2)c1Br ZINC001229099890 932094236 /nfs/dbraw/zinc/09/42/36/932094236.db2.gz NRGDJTLQPPGLKZ-VIFPVBQESA-N -1 3 285.137 3.348 20 0 CGADHM CC[C@@H](C)CC[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC001229952267 932508492 /nfs/dbraw/zinc/50/84/92/932508492.db2.gz ACWALCIUJGVVKW-NEPJUHHUSA-N -1 3 274.368 3.460 20 0 CGADHM CC[C@@H](C)CC[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC001229952267 932508503 /nfs/dbraw/zinc/50/85/03/932508503.db2.gz ACWALCIUJGVVKW-NEPJUHHUSA-N -1 3 274.368 3.460 20 0 CGADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC001229954989 932509592 /nfs/dbraw/zinc/50/95/92/932509592.db2.gz QQIHAFNTGNMWRA-JTQLQIEISA-N -1 3 284.294 3.146 20 0 CGADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC001229954989 932509596 /nfs/dbraw/zinc/50/95/96/932509596.db2.gz QQIHAFNTGNMWRA-JTQLQIEISA-N -1 3 284.294 3.146 20 0 CGADHM CC(C)CCC[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC001229954588 932510526 /nfs/dbraw/zinc/51/05/26/932510526.db2.gz MUVOSMWXDMLFCX-LBPRGKRZSA-N -1 3 274.368 3.460 20 0 CGADHM CC(C)CCC[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC001229954588 932510529 /nfs/dbraw/zinc/51/05/29/932510529.db2.gz MUVOSMWXDMLFCX-LBPRGKRZSA-N -1 3 274.368 3.460 20 0 CGADHM C[C@@H](Oc1[n-]c(=O)nc2cccc(Cl)c21)C1CC1 ZINC001230885142 932636217 /nfs/dbraw/zinc/63/62/17/932636217.db2.gz VAQYSVGOUFYOMK-SSDOTTSWSA-N -1 3 264.712 3.166 20 0 CGADHM C[C@H]1CC[C@@H](Oc2nc(=O)[n-]cc2-c2ccccc2)C1 ZINC001230971811 932650351 /nfs/dbraw/zinc/65/03/51/932650351.db2.gz BUJMSGUCTLDXLT-WCQYABFASA-N -1 3 270.332 3.417 20 0 CGADHM CC[C@H]1CCCC[C@H]1Oc1ccc(-c2nn[n-]n2)cc1 ZINC001231072173 932671032 /nfs/dbraw/zinc/67/10/32/932671032.db2.gz ACBUSUUVTFWMJJ-SMDDNHRTSA-N -1 3 272.352 3.214 20 0 CGADHM COc1ccc([C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001231073426 932673223 /nfs/dbraw/zinc/67/32/23/932673223.db2.gz KKVHPIBSURHYPD-NSHDSACASA-N -1 3 296.330 3.015 20 0 CGADHM Cc1ccc2c(c1)CC[C@H]2Oc1ccc(-c2nn[n-]n2)cc1 ZINC001231073475 932673242 /nfs/dbraw/zinc/67/32/42/932673242.db2.gz LBLDVIYBNFOTIS-MRXNPFEDSA-N -1 3 292.342 3.241 20 0 CGADHM CCOC(=O)c1c(Cl)[n-]c(=O)cc1O[C@H](C)C1CCC1 ZINC001231091560 932677141 /nfs/dbraw/zinc/67/71/41/932677141.db2.gz XELGFHJBNCKWSC-MRVPVSSYSA-N -1 3 299.754 3.185 20 0 CGADHM Cc1ccc([C@@H]2C[C@@H]2c2nnc(-c3ccc([O-])cn3)o2)cc1 ZINC001257209027 932729889 /nfs/dbraw/zinc/72/98/89/932729889.db2.gz FSASIKAHPGLDNF-KBPBESRZSA-N -1 3 293.326 3.417 20 0 CGADHM Cc1cccc([O-])c1C(=O)Nc1cnc2[nH]ccc2c1C ZINC001303978153 932839832 /nfs/dbraw/zinc/83/98/32/932839832.db2.gz KVJRMHHGZRMPSO-UHFFFAOYSA-N -1 3 281.315 3.089 20 0 CGADHM CCc1ccc2c(c1)CCN2C(=O)c1c(C)cccc1[O-] ZINC001305105633 932862703 /nfs/dbraw/zinc/86/27/03/932862703.db2.gz CHOXNRZLGSXGQV-UHFFFAOYSA-N -1 3 281.355 3.466 20 0 CGADHM CC(C)(C)c1cc(C(=O)[N-]c2nocc2C2CC2)no1 ZINC001462557452 937650522 /nfs/dbraw/zinc/65/05/22/937650522.db2.gz UJPGGZPZYVEECA-UHFFFAOYSA-N -1 3 275.308 3.090 20 0 CGADHM C[C@H]1COc2ccccc2CN1Cc1ccc([O-])c(F)c1 ZINC001308686236 933158482 /nfs/dbraw/zinc/15/84/82/933158482.db2.gz ZHWOVZFBINBSML-LBPRGKRZSA-N -1 3 287.334 3.314 20 0 CGADHM C[C@H]1C[C@@H](CC[N-]S(=O)(=O)c2ccco2)CC(C)(C)C1 ZINC001463635615 937678543 /nfs/dbraw/zinc/67/85/43/937678543.db2.gz MEOXLGHJAOVVEV-QWHCGFSZSA-N -1 3 299.436 3.410 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])C1(c2ccccn2)CC1 ZINC001466257875 937707370 /nfs/dbraw/zinc/70/73/70/937707370.db2.gz LECLYXHBPABKAN-UHFFFAOYSA-N -1 3 288.734 3.111 20 0 CGADHM CCNc1cccnc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC001466261138 937707783 /nfs/dbraw/zinc/70/77/83/937707783.db2.gz FTCDSSXWLJHMAZ-UHFFFAOYSA-N -1 3 291.738 3.125 20 0 CGADHM Nc1ccc(Cl)cc1C(=O)Nc1cc(F)ccc1[O-] ZINC001466631354 937711081 /nfs/dbraw/zinc/71/10/81/937711081.db2.gz KRYYAWKRHYBTHU-UHFFFAOYSA-N -1 3 280.686 3.019 20 0 CGADHM CS[C@@H](CNC(=O)c1c(C)cccc1[O-])C(C)(C)C ZINC001466827787 937712856 /nfs/dbraw/zinc/71/28/56/937712856.db2.gz QRCCYVCHMICRGX-LBPRGKRZSA-N -1 3 281.421 3.208 20 0 CGADHM Cc1cccc([O-])c1C(=O)Nc1cnc2c(c1)CCCC2 ZINC001466832479 937713000 /nfs/dbraw/zinc/71/30/00/937713000.db2.gz GAFHWRMKMCSPLT-UHFFFAOYSA-N -1 3 282.343 3.227 20 0 CGADHM CCCN1CCCC[C@@H]1C(=O)Nc1cc(Cl)ccc1[O-] ZINC001319530379 933888045 /nfs/dbraw/zinc/88/80/45/933888045.db2.gz WIMPKNASDHFUKB-CYBMUJFWSA-N -1 3 296.798 3.249 20 0 CGADHM CC(C)N(CCc1ccccc1)C(=O)c1ccccc1[O-] ZINC001319728638 933923699 /nfs/dbraw/zinc/92/36/99/933923699.db2.gz AYGPMSQYJGRPLK-UHFFFAOYSA-N -1 3 283.371 3.486 20 0 CGADHM CC/C=C/CNC(=O)c1cc2sccc2c([O-])c1 ZINC001468429314 937728029 /nfs/dbraw/zinc/72/80/29/937728029.db2.gz QGZLTKNUPCHMOU-ONEGZZNKSA-N -1 3 261.346 3.303 20 0 CGADHM CC[C@H](NC(=O)c1c(C)cccc1[O-])[C@H]1CC1(C)C ZINC001469142941 937735856 /nfs/dbraw/zinc/73/58/56/937735856.db2.gz STDJBXVCRHRLTH-NEPJUHHUSA-N -1 3 261.365 3.255 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2cc3cc[nH]c3cn2)c1 ZINC001469643939 937741777 /nfs/dbraw/zinc/74/17/77/937741777.db2.gz MQSGOSWRXXHBHP-UHFFFAOYSA-N -1 3 281.315 3.083 20 0 CGADHM Cc1ccc(C(=O)Nc2cc(F)cc(N(C)C)c2)c([O-])c1 ZINC001469776126 937743539 /nfs/dbraw/zinc/74/35/39/937743539.db2.gz QVIJUJLPUJWVFE-UHFFFAOYSA-N -1 3 288.322 3.158 20 0 CGADHM CCC(NC(=O)c1ccc(OC)cc1[O-])(C1CC1)C1CC1 ZINC001470133340 937748539 /nfs/dbraw/zinc/74/85/39/937748539.db2.gz WLDXOWGWRDYMDA-UHFFFAOYSA-N -1 3 289.375 3.099 20 0 CGADHM Cc1cccc([O-])c1C(=O)N[C@H]1CCc2c1cccc2F ZINC001471915669 937770690 /nfs/dbraw/zinc/77/06/90/937770690.db2.gz RBVZPXYPIAKNQG-AWEZNQCLSA-N -1 3 285.318 3.257 20 0 CGADHM CC1(NC(=O)c2cc(Oc3ccccc3)ccc2[O-])CC1 ZINC001324762262 934563585 /nfs/dbraw/zinc/56/35/85/934563585.db2.gz AVGGPYBEEQCHTK-UHFFFAOYSA-N -1 3 283.327 3.467 20 0 CGADHM CCc1cccc(C(=O)N(C)[C@H]2CC[C@H](SC)C2)c1[O-] ZINC001324764408 934565414 /nfs/dbraw/zinc/56/54/14/934565414.db2.gz OOIHHTCGWNIAMH-STQMWFEESA-N -1 3 293.432 3.311 20 0 CGADHM CC(C)O[N-]C(=O)CCc1ccc(-c2ccccc2)[nH]1 ZINC001325389646 934908685 /nfs/dbraw/zinc/90/86/85/934908685.db2.gz NDTJPOFKICPWIQ-UHFFFAOYSA-N -1 3 272.348 3.071 20 0 CGADHM C[C@H](C1CC1)n1nccc1NCc1ccc([O-])c(F)c1 ZINC001334167310 936088530 /nfs/dbraw/zinc/08/85/30/936088530.db2.gz FOFFUKOWHPIWKX-SNVBAGLBSA-N -1 3 275.327 3.311 20 0 CGADHM CC(C)[C@]1(C)C[C@H]1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC001475371124 937883101 /nfs/dbraw/zinc/88/31/01/937883101.db2.gz NQEALXDUQGHYOB-KCJUWKMLSA-N -1 3 293.841 3.114 20 0 CGADHM Cc1nocc1[N-]C(=O)c1cc2c(ccnc2Cl)s1 ZINC001527077908 938060251 /nfs/dbraw/zinc/06/02/51/938060251.db2.gz JTDJJQMURSMBSC-UHFFFAOYSA-N -1 3 293.735 3.498 20 0 CGADHM Cc1ccc(C(=O)[N-]c2c(F)ccnc2F)c(F)c1F ZINC001534633546 938097086 /nfs/dbraw/zinc/09/70/86/938097086.db2.gz WZPHMQPAZFTKMM-UHFFFAOYSA-N -1 3 284.212 3.199 20 0 CGADHM CCSCc1cc(C(=O)[N-]c2cc(C(C)C)on2)no1 ZINC001538236285 938116430 /nfs/dbraw/zinc/11/64/30/938116430.db2.gz KCLVCDIAUFOVRH-UHFFFAOYSA-N -1 3 295.364 3.291 20 0 CGADHM CCOc1cccc(NC(=O)Cc2ccc([O-])c(F)c2)c1 ZINC001542134610 938135188 /nfs/dbraw/zinc/13/51/88/938135188.db2.gz NYMKCHMSODQTQT-UHFFFAOYSA-N -1 3 289.306 3.111 20 0 CGADHM O=C(Nc1cccc([O-])c1F)[C@@H]1CCCC12CCOCC2 ZINC001553592819 938199814 /nfs/dbraw/zinc/19/98/14/938199814.db2.gz IEXPRKMLVMNNLY-NSHDSACASA-N -1 3 293.338 3.067 20 0 CGADHM CC(C)c1ccc(C(=O)N[C@@H]2CCCC2(F)F)c([O-])c1 ZINC001556902545 938206588 /nfs/dbraw/zinc/20/65/88/938206588.db2.gz NFSWNTXRJIXKHX-CYBMUJFWSA-N -1 3 283.318 3.433 20 0 CGADHM CCc1cccc(C(=O)Nc2nc(C(C)C)ns2)c1[O-] ZINC001558224568 938214070 /nfs/dbraw/zinc/21/40/70/938214070.db2.gz DYCZNBKEXIFKLF-UHFFFAOYSA-N -1 3 291.376 3.182 20 0 CGADHM CC[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1cc(C)c(Cl)s1 ZINC001561273564 938293816 /nfs/dbraw/zinc/29/38/16/938293816.db2.gz KUQPPZZPANNFFF-APPZFPTMSA-N -1 3 295.857 3.423 20 0 CGADHM O=C([O-])c1ccccc1CNCc1cnc2ccccc2c1 ZINC001595254983 949583227 /nfs/dbraw/zinc/58/32/27/949583227.db2.gz BQCPCSBXGKILGX-UHFFFAOYSA-N -1 3 292.338 3.223 20 0 CGADHM Cc1ccc(F)cc1CN1CCc2ccccc2[C@H]1C(=O)[O-] ZINC000389430298 951350021 /nfs/dbraw/zinc/35/00/21/951350021.db2.gz XYEYKVUWIGORIX-KRWDZBQOSA-N -1 3 299.345 3.318 20 0 CGADHM CCOc1cccc(Cl)c1CN(C)[C@H](CC)C(=O)[O-] ZINC001592993344 951381856 /nfs/dbraw/zinc/38/18/56/951381856.db2.gz KBISOPJGNQFQAQ-GFCCVEGCSA-N -1 3 285.771 3.034 20 0 CGADHM CCc1cc(OC)ccc1CNCc1cccc(C(=O)[O-])c1 ZINC001593633748 953596149 /nfs/dbraw/zinc/59/61/49/953596149.db2.gz GRYALUDRIJCUGQ-UHFFFAOYSA-N -1 3 299.370 3.246 20 0 CGADHM Cc1ccc(-c2nc(CN[C@@H](C)CC(=O)[O-])cs2)cc1 ZINC001594335200 958257125 /nfs/dbraw/zinc/25/71/25/958257125.db2.gz HYCBUXMBBZRJSF-NSHDSACASA-N -1 3 290.388 3.071 20 0 CGADHM CN(CCc1ccccc1C(=O)[O-])Cc1ccccc1F ZINC000168574279 959381179 /nfs/dbraw/zinc/38/11/79/959381179.db2.gz JLTNJEOZUWYBHU-UHFFFAOYSA-N -1 3 287.334 3.198 20 0 CGADHM CCc1cccc(C(=O)N[C@@H]2CC(=O)c3ccccc32)c1[O-] ZINC001566957536 961080372 /nfs/dbraw/zinc/08/03/72/961080372.db2.gz UAALNAISFLTZGU-OAHLLOKOSA-N -1 3 295.338 3.012 20 0 CGADHM Cc1nc(Cl)c(Cl)cc1C(=O)Nc1ncccc1[O-] ZINC001567485499 961352017 /nfs/dbraw/zinc/35/20/17/961352017.db2.gz JQGFGSFBBMZLED-UHFFFAOYSA-N -1 3 298.129 3.050 20 0 CGADHM O=C(Nc1c([O-])cccc1Cl)[C@@H]1CCc2cccnc21 ZINC001569682968 961819142 /nfs/dbraw/zinc/81/91/42/961819142.db2.gz ZTMPLHDUYHHFJG-SNVBAGLBSA-N -1 3 288.734 3.109 20 0 CGADHM Cc1cc(F)c(-c2nnn[n-]2)c(NCCCC2CCC2)c1 ZINC001580933117 962754931 /nfs/dbraw/zinc/75/49/31/962754931.db2.gz QNNZRKSDBSSVSG-UHFFFAOYSA-N -1 3 289.358 3.306 20 0 CGADHM Cc1cc(F)c(-c2nn[n-]n2)c(NCCCC2CCC2)c1 ZINC001580933117 962754950 /nfs/dbraw/zinc/75/49/50/962754950.db2.gz QNNZRKSDBSSVSG-UHFFFAOYSA-N -1 3 289.358 3.306 20 0 CGADHM Cc1c(C(=O)[O-])cc(CNCc2ccc(Cl)s2)n1C ZINC000311419200 963478929 /nfs/dbraw/zinc/47/89/29/963478929.db2.gz CLVPQBOFBQKHFN-UHFFFAOYSA-N -1 3 298.795 3.036 20 0 CGADHM CC(C)C(C)(C)CSc1ncccc1-c1nnn[n-]1 ZINC001589425433 963990703 /nfs/dbraw/zinc/99/07/03/963990703.db2.gz RPJQJSOXHSMAJC-UHFFFAOYSA-N -1 3 277.397 3.036 20 0 CGADHM CC(C)C(C)(C)CSc1ncccc1-c1nn[n-]n1 ZINC001589425433 963990707 /nfs/dbraw/zinc/99/07/07/963990707.db2.gz RPJQJSOXHSMAJC-UHFFFAOYSA-N -1 3 277.397 3.036 20 0 CGADHM CCOc1cccc(CNCc2ccccc2C(=O)[O-])c1 ZINC000233790830 967748513 /nfs/dbraw/zinc/74/85/13/967748513.db2.gz RGQXKGGQLLBSDD-UHFFFAOYSA-N -1 3 285.343 3.073 20 0 CGADHM Cc1cscc1CNCc1cccc(C(=O)[O-])c1 ZINC000235816826 967768011 /nfs/dbraw/zinc/76/80/11/967768011.db2.gz MLMWVQXPSQCTJX-UHFFFAOYSA-N -1 3 261.346 3.045 20 0 CGADHM O=C([O-])[C@@H](NCc1cnc2ccccc2c1)c1ccccc1 ZINC000318156822 970414682 /nfs/dbraw/zinc/41/46/82/970414682.db2.gz XOLHYOVFOQZVOO-KRWDZBQOSA-N -1 3 292.338 3.150 20 0 CGADHM CO[C@@H]1CCN(Cc2cccc(C(=O)[O-])c2Cl)[C@H](C)C1 ZINC000394505908 972716074 /nfs/dbraw/zinc/71/60/74/972716074.db2.gz VIYSRMIFNQUERR-ZYHUDNBSSA-N -1 3 297.782 3.038 20 0 CGADHM CC(C)c1[nH]c(CNC(C)(C)/C=C\Cl)cc1C(=O)[O-] ZINC001591916529 976367730 /nfs/dbraw/zinc/36/77/30/976367730.db2.gz MWEGAYRAWOHICT-WAYWQWQTSA-N -1 3 284.787 3.457 20 0 CGADHM CC[C@@H](N[C@@H](CO)c1ccccc1)c1ccc(C(=O)[O-])cc1 ZINC001595317049 980487624 /nfs/dbraw/zinc/48/76/24/980487624.db2.gz LPSZOMRVJJGJRH-SJORKVTESA-N -1 3 299.370 3.159 20 0 CGADHM CC[C@@H]1Cc2ccccc2CN1Cc1c[nH]c(C(=O)[O-])c1 ZINC001595499582 981265119 /nfs/dbraw/zinc/26/51/19/981265119.db2.gz MMJDTIIJFALQAH-OAHLLOKOSA-N -1 3 284.359 3.050 20 0 CGADHM CC[C@@H](NCc1cc(C)c(C(=O)[O-])[nH]1)c1ccc(F)cc1 ZINC001597291084 987375300 /nfs/dbraw/zinc/37/53/00/987375300.db2.gz AEZHCWIMOULGIO-CQSZACIVSA-N -1 3 290.338 3.401 20 0 CGADHM CSc1ccc(CNCc2cc(C)c(C(=O)[O-])[nH]2)cc1 ZINC001599812758 988365671 /nfs/dbraw/zinc/36/56/71/988365671.db2.gz DDWRXJKOCQUSJR-UHFFFAOYSA-N -1 3 290.388 3.033 20 0 CGADHM CC(C)[C@H]1CCC[C@@H](NCc2ncc(C(=O)[O-])s2)C1 ZINC001591088193 991619009 /nfs/dbraw/zinc/61/90/09/991619009.db2.gz DQSJXWODIURRSI-WDEREUQCSA-N -1 3 282.409 3.146 20 0 CGADHM C[C@H](c1ncc(C(=O)[O-])s1)N(CCC1CC1)CC1CC1 ZINC001593732574 996314543 /nfs/dbraw/zinc/31/45/43/996314543.db2.gz XJUKYRSBGMIIJU-SNVBAGLBSA-N -1 3 294.420 3.414 20 0 CGADHM CC1(C)CN(Cc2ccc(C(=O)[O-])c(F)c2)[C@H]1C1CC1 ZINC001593942369 996966219 /nfs/dbraw/zinc/96/62/19/996966219.db2.gz HEIXMESEQBMRSU-AWEZNQCLSA-N -1 3 277.339 3.144 20 0 CGADHM CO[C@H](C)CN(Cc1cc(C(=O)[O-])ccc1Cl)C(C)C ZINC001599038056 999097810 /nfs/dbraw/zinc/09/78/10/999097810.db2.gz WAJKEOBLKBMJAO-LLVKDONJSA-N -1 3 299.798 3.284 20 0 CGADHM CC(C)c1[nH]c(CN2C[C@@H](C)CC[C@H]2C)cc1C(=O)[O-] ZINC001594299707 999157751 /nfs/dbraw/zinc/15/77/51/999157751.db2.gz GJNSARYXDIBMQX-NWDGAFQWSA-N -1 3 278.396 3.457 20 0 CGADHM Cc1cccc(C(=O)N2CCC[C@H]2c2ccc(O)cc2)c1[O-] ZINC000620974971 349438202 /nfs/dbraw/zinc/43/82/02/349438202.db2.gz MBPRZDKKUWYIAO-INIZCTEOSA-N -1 3 297.354 3.384 20 0 CGADHM Cc1ccc(NC(=O)C[C@H]2CCO[C@H](C(C)C)C2)c([O-])c1 ZINC000273073119 192037353 /nfs/dbraw/zinc/03/73/53/192037353.db2.gz FZPAKNQAVUPMOQ-BBRMVZONSA-N -1 3 291.391 3.480 20 0 CGADHM [O-]c1ccc(F)c(CN2CCC[C@@H](C(F)(F)F)C2)c1F ZINC000294965027 199273972 /nfs/dbraw/zinc/27/39/72/199273972.db2.gz QYZGEFSPJBRHTB-MRVPVSSYSA-N -1 3 295.251 3.445 20 0 CGADHM Cc1nc2cc(C(=O)Nc3cc(F)ccc3[O-])ccc2o1 ZINC000350700222 219049645 /nfs/dbraw/zinc/04/96/45/219049645.db2.gz JLDIACQLHCHBHH-UHFFFAOYSA-N -1 3 286.262 3.233 20 0 CGADHM CCC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccccc1F ZINC000590610182 346854890 /nfs/dbraw/zinc/85/48/90/346854890.db2.gz APMWEGYMESZUAF-OCCSQVGLSA-N -1 3 299.411 3.463 20 0 CGADHM CCC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccccc1F ZINC000590610180 346855149 /nfs/dbraw/zinc/85/51/49/346855149.db2.gz APMWEGYMESZUAF-GXTWGEPZSA-N -1 3 299.411 3.463 20 0 CGADHM C[C@H](NC(=O)c1cc([O-])cc(C(F)(F)F)c1)C1CCC1 ZINC000621933016 349609601 /nfs/dbraw/zinc/60/96/01/349609601.db2.gz SMGGIXCSLGTMIW-QMMMGPOBSA-N -1 3 287.281 3.329 20 0 CGADHM CCC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cccs1 ZINC000590610314 346854543 /nfs/dbraw/zinc/85/45/43/346854543.db2.gz IDXSNAFKKOLJJG-NEPJUHHUSA-N -1 3 287.450 3.385 20 0 CGADHM CCN(CC(F)F)C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621952947 349612670 /nfs/dbraw/zinc/61/26/70/349612670.db2.gz XBRCZLKHKBXTAV-UHFFFAOYSA-N -1 3 297.223 3.138 20 0 CGADHM CC(C)CC1(C)CCN(C(=O)c2cc(F)c[n-]c2=O)CC1 ZINC000622055853 349624573 /nfs/dbraw/zinc/62/45/73/349624573.db2.gz XIAYLYWTVMVEOV-UHFFFAOYSA-N -1 3 294.370 3.215 20 0 CGADHM CC[C@H](Cc1ccccc1)NC(=O)c1ccc(OC)cc1[O-] ZINC000436533156 529430768 /nfs/dbraw/zinc/43/07/68/529430768.db2.gz UKYHBLHNJNJNEJ-CQSZACIVSA-N -1 3 299.370 3.152 20 0 CGADHM CCc1ccccc1NC(=O)Cc1ccc([O-])c(F)c1 ZINC000622291807 349668962 /nfs/dbraw/zinc/66/89/62/349668962.db2.gz XZHUYAVWWNABPQ-UHFFFAOYSA-N -1 3 273.307 3.275 20 0 CGADHM CCc1[n-][nH]c(=NC(=O)[C@H](CC)Cc2ccccc2C)c1C ZINC000425174049 529460398 /nfs/dbraw/zinc/46/03/98/529460398.db2.gz ZVFYEIFTTBRDCT-CQSZACIVSA-N -1 3 299.418 3.218 20 0 CGADHM Cc1ccc(NC(=O)c2cc3c(cc2[O-])CCCC3)cn1 ZINC000622451507 349680028 /nfs/dbraw/zinc/68/00/28/349680028.db2.gz JPWOLJBLVNPRMJ-UHFFFAOYSA-N -1 3 282.343 3.227 20 0 CGADHM CCc1cccc(C(=O)NCC2(OC)CCCCC2)c1[O-] ZINC000622520237 349684020 /nfs/dbraw/zinc/68/40/20/349684020.db2.gz KONCZVZTPANVGQ-UHFFFAOYSA-N -1 3 291.391 3.034 20 0 CGADHM CCc1ccc([O-])c(C(=O)N[C@H](C2CC2)C2CCC2)c1 ZINC000622681139 349694143 /nfs/dbraw/zinc/69/41/43/349694143.db2.gz CRLZRVALKXIQSQ-INIZCTEOSA-N -1 3 273.376 3.263 20 0 CGADHM CC[C@@H](C[C@@H](C)CO)NC(=O)c1ccc(C(C)C)cc1[O-] ZINC000436909354 529535286 /nfs/dbraw/zinc/53/52/86/529535286.db2.gz YPGDTEFZDBYKCE-OCCSQVGLSA-N -1 3 293.407 3.043 20 0 CGADHM CCc1ccc(C(=O)N(CC)C[C@@H](C)CC)c([O-])c1 ZINC000436831414 529593164 /nfs/dbraw/zinc/59/31/64/529593164.db2.gz PGEVBHUXHFRYNL-LBPRGKRZSA-N -1 3 263.381 3.463 20 0 CGADHM CCc1ccc(C(=O)N[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)c([O-])c1 ZINC000436838500 529608064 /nfs/dbraw/zinc/60/80/64/529608064.db2.gz RFNWGOVUSLDZFR-BPQIPLTHSA-N -1 3 293.366 3.023 20 0 CGADHM CCc1ccc(C(=O)Nc2cccc(F)c2F)c([O-])c1 ZINC000436831231 529610963 /nfs/dbraw/zinc/61/09/63/529610963.db2.gz XLKVTFGLWHCTSS-UHFFFAOYSA-N -1 3 277.270 3.485 20 0 CGADHM CCc1ccc(C(=O)N2CC[C@@H](C(C)(C)C)C2)c([O-])c1 ZINC000436838615 529598950 /nfs/dbraw/zinc/59/89/50/529598950.db2.gz JWVJBRJBZRNCAY-CYBMUJFWSA-N -1 3 275.392 3.463 20 0 CGADHM CCc1ccc(C(=O)NCCCC(C)(C)COC)c([O-])c1 ZINC000436742852 529602735 /nfs/dbraw/zinc/60/27/35/529602735.db2.gz FZIFEIIQSRCZOA-UHFFFAOYSA-N -1 3 293.407 3.137 20 0 CGADHM CCc1ccc(CN[C@H](C)CCC[C@H](C)C(=O)[O-])o1 ZINC000426694316 529656646 /nfs/dbraw/zinc/65/66/46/529656646.db2.gz IGQCZJROTWOREH-NWDGAFQWSA-N -1 3 267.369 3.211 20 0 CGADHM CCCCCNC(=O)c1cc([O-])cc(Br)c1 ZINC000623346499 349784925 /nfs/dbraw/zinc/78/49/25/349784925.db2.gz TXLSPLOSKLLZRD-UHFFFAOYSA-N -1 3 286.169 3.075 20 0 CGADHM CCc1cnccc1-c1noc(-c2cccc(C)c2[O-])n1 ZINC000165310815 529668746 /nfs/dbraw/zinc/66/87/46/529668746.db2.gz NIZVLQZCYYQFNH-UHFFFAOYSA-N -1 3 281.315 3.375 20 0 CGADHM CCc1cnccc1[C@H](C)NC(=O)c1ccc([O-])c(C)c1 ZINC000436939927 529680985 /nfs/dbraw/zinc/68/09/85/529680985.db2.gz SBNNASGRGBJCRV-LBPRGKRZSA-N -1 3 284.359 3.149 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CC3(CCC3)[C@@H]2C2CC2)c1 ZINC000427579178 529690809 /nfs/dbraw/zinc/69/08/09/529690809.db2.gz JQLHVMAICHZJKT-INIZCTEOSA-N -1 3 285.387 3.359 20 0 CGADHM CCc1ccc([C@@H](C)NC(=O)c2ccc(O)cc2[O-])cc1 ZINC000436612984 529705919 /nfs/dbraw/zinc/70/59/19/529705919.db2.gz RPYLSTGNQLSYAP-LLVKDONJSA-N -1 3 285.343 3.151 20 0 CGADHM CCc1ccc([O-])c(C(=O)NCc2ccc(Cl)o2)c1 ZINC000623470403 349815540 /nfs/dbraw/zinc/81/55/40/349815540.db2.gz NNHLLRJGGRVMEA-UHFFFAOYSA-N -1 3 279.723 3.131 20 0 CGADHM CCc1nn(C)cc1-c1noc(-c2ccc(C)c(C)c2[O-])n1 ZINC000436788112 529768364 /nfs/dbraw/zinc/76/83/64/529768364.db2.gz TWFXXFQHICUGEP-UHFFFAOYSA-N -1 3 298.346 3.022 20 0 CGADHM [O-]c1ccc(F)c(CN2CCc3c(F)cccc3C2)c1F ZINC000351502745 219107972 /nfs/dbraw/zinc/10/79/72/219107972.db2.gz NMMXXRQBNIUCRB-UHFFFAOYSA-N -1 3 293.288 3.368 20 0 CGADHM Cc1ccc2c(c1)[C@@H](NC(=O)c1ccccc1[O-])CC2 ZINC000592661977 347004470 /nfs/dbraw/zinc/00/44/70/347004470.db2.gz DVQAEDYKOVPJTM-HNNXBMFYSA-N -1 3 267.328 3.118 20 0 CGADHM Cc1nc2cc(NC(=O)c3cc(C)ccc3[O-])ccc2[nH]1 ZINC000010895798 344876821 /nfs/dbraw/zinc/87/68/21/344876821.db2.gz KNMRFTGRNGVLNQ-UHFFFAOYSA-N -1 3 281.315 3.138 20 0 CGADHM Cc1nc2ccc(NC(=O)c3cc(C)ccc3[O-])cc2[nH]1 ZINC000010895798 344876823 /nfs/dbraw/zinc/87/68/23/344876823.db2.gz KNMRFTGRNGVLNQ-UHFFFAOYSA-N -1 3 281.315 3.138 20 0 CGADHM CC(C)CC[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000016092027 344885265 /nfs/dbraw/zinc/88/52/65/344885265.db2.gz LUWVVNRXEVZVSO-UHFFFAOYSA-N -1 3 296.219 3.318 20 0 CGADHM Clc1cccc(COc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000039084004 344958182 /nfs/dbraw/zinc/95/81/82/344958182.db2.gz OQPKKAAFUHENNP-UHFFFAOYSA-N -1 3 286.722 3.099 20 0 CGADHM Clc1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000039084004 344958184 /nfs/dbraw/zinc/95/81/84/344958184.db2.gz OQPKKAAFUHENNP-UHFFFAOYSA-N -1 3 286.722 3.099 20 0 CGADHM COCc1ccccc1C(=O)Nc1ccc(C)cc1[O-] ZINC000047430120 345051756 /nfs/dbraw/zinc/05/17/56/345051756.db2.gz JKDVQFMMAPSOCU-UHFFFAOYSA-N -1 3 271.316 3.099 20 0 CGADHM Cc1ccc(NC(=O)CCc2nc3ccccc3[nH]2)c([O-])c1 ZINC000045811759 345030634 /nfs/dbraw/zinc/03/06/34/345030634.db2.gz BPXCYYANYGSZLI-UHFFFAOYSA-N -1 3 295.342 3.148 20 0 CGADHM O=C([N-]c1cnoc1)c1cc(F)c(Cl)cc1Cl ZINC000623941797 349922945 /nfs/dbraw/zinc/92/29/45/349922945.db2.gz HBZRCBKOSZPMGA-UHFFFAOYSA-N -1 3 275.066 3.373 20 0 CGADHM C[C@H](N(C)C(=O)c1cc(=O)c2ccccc2[n-]1)C(C)(C)C ZINC000053447831 345121760 /nfs/dbraw/zinc/12/17/60/345121760.db2.gz QCEHGVNHNGQJJK-NSHDSACASA-N -1 3 286.375 3.035 20 0 CGADHM COCc1ccc(CNC(=O)c2ccc(C)c(C)c2[O-])cc1 ZINC000052639719 345106894 /nfs/dbraw/zinc/10/68/94/345106894.db2.gz AFFPFDMRONBUPT-UHFFFAOYSA-N -1 3 299.370 3.085 20 0 CGADHM CC(C)c1ccc(C(=O)N(C)Cc2ccccn2)c([O-])c1 ZINC000063095260 345242968 /nfs/dbraw/zinc/24/29/68/345242968.db2.gz DRERRWGLRHTKPG-UHFFFAOYSA-N -1 3 284.359 3.183 20 0 CGADHM CC(C)c1ccc(C(=O)N(C)Cc2ccncc2)c([O-])c1 ZINC000068029433 345341495 /nfs/dbraw/zinc/34/14/95/345341495.db2.gz WJAGCRFAJBDQIW-UHFFFAOYSA-N -1 3 284.359 3.183 20 0 CGADHM Cc1oc(CN2CCCCC[C@@H]2C)cc1C(=O)[O-] ZINC000070410242 345390805 /nfs/dbraw/zinc/39/08/05/345390805.db2.gz TXOWULPQBUCAAE-JTQLQIEISA-N -1 3 251.326 3.051 20 0 CGADHM c1oc(-c2ccccc2)nc1C[N-]c1nc(C2CC2)no1 ZINC000078341004 345601887 /nfs/dbraw/zinc/60/18/87/345601887.db2.gz KEYWIFYJGAMOLP-UHFFFAOYSA-N -1 3 282.303 3.214 20 0 CGADHM CCO[C@@H](CC(=O)Nc1ccccc1[O-])C1=CCCC1 ZINC000080752630 345686356 /nfs/dbraw/zinc/68/63/56/345686356.db2.gz QRCFVHBBTLKFDP-HNNXBMFYSA-N -1 3 275.348 3.236 20 0 CGADHM C[C@@H]([N-]c1nc(-c2cccc(Cl)c2)no1)[C@H]1CCCO1 ZINC000091427455 345813536 /nfs/dbraw/zinc/81/35/36/345813536.db2.gz LOMJWTMJLPZSSR-BXKDBHETSA-N -1 3 293.754 3.369 20 0 CGADHM O=C(Nc1ccccc1[O-])c1nc(C2CC2)n2ccccc12 ZINC000091027164 345801209 /nfs/dbraw/zinc/80/12/09/345801209.db2.gz JZIXDJMOSCFXPU-UHFFFAOYSA-N -1 3 293.326 3.170 20 0 CGADHM CCc1cccc(C(=O)Nc2ccccc2OC)c1[O-] ZINC000093900280 345891862 /nfs/dbraw/zinc/89/18/62/345891862.db2.gz QWWKDSNVCRXWME-UHFFFAOYSA-N -1 3 271.316 3.216 20 0 CGADHM COc1ccc(C(=O)N2CCC[C@@H]2CC(C)C)c([O-])c1 ZINC000094075730 345894326 /nfs/dbraw/zinc/89/43/26/345894326.db2.gz QYGKNRIZFWFUEO-GFCCVEGCSA-N -1 3 277.364 3.052 20 0 CGADHM CO[C@@H](C)c1nc(C)c(C(=O)Nc2ccccc2[O-])s1 ZINC000175008432 232310146 /nfs/dbraw/zinc/31/01/46/232310146.db2.gz VEQSBCMGXONIJL-VIFPVBQESA-N -1 3 292.360 3.117 20 0 CGADHM O=C(Nc1cccc([O-])c1F)[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC000128284552 346039603 /nfs/dbraw/zinc/03/96/03/346039603.db2.gz KQKWSTSSOLUXDH-VXGBXAGGSA-N -1 3 289.281 3.413 20 0 CGADHM O=C(NCc1ccc([O-])c(F)c1)c1cc(Cl)ccc1F ZINC000132705339 346072996 /nfs/dbraw/zinc/07/29/96/346072996.db2.gz BFEQDNIHESTTRB-UHFFFAOYSA-N -1 3 297.688 3.254 20 0 CGADHM C[C@@H](CC(=O)NCc1ccc([O-])c(F)c1)c1ccccc1 ZINC000133087525 346075594 /nfs/dbraw/zinc/07/55/94/346075594.db2.gz AZAVSYBZONDZDN-LBPRGKRZSA-N -1 3 287.334 3.341 20 0 CGADHM CSc1ccsc1C(=O)NCc1ccc([O-])c(F)c1 ZINC000133183548 346075753 /nfs/dbraw/zinc/07/57/53/346075753.db2.gz SZWCSQDDQLVHKS-UHFFFAOYSA-N -1 3 297.376 3.245 20 0 CGADHM C[C@@H]1CCC[C@@H](CC(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000133107233 346075916 /nfs/dbraw/zinc/07/59/16/346075916.db2.gz JLGBPKBNJCOSFX-VXGBXAGGSA-N -1 3 279.355 3.364 20 0 CGADHM Cc1cccc([C@@H](C)C(=O)Nc2ccccc2[O-])c1 ZINC000154906765 346151146 /nfs/dbraw/zinc/15/11/46/346151146.db2.gz DWYVNUJWKJKLHB-GFCCVEGCSA-N -1 3 255.317 3.443 20 0 CGADHM [O-]c1cccc(CN2CCC(OCC3CC3)CC2)c1Cl ZINC000351675025 219172431 /nfs/dbraw/zinc/17/24/31/219172431.db2.gz XMOOYPUNEGLVGW-UHFFFAOYSA-N -1 3 295.810 3.437 20 0 CGADHM C[C@@H](CC(=O)Nc1ncccc1[O-])c1ccccc1F ZINC000171265171 346205146 /nfs/dbraw/zinc/20/51/46/346205146.db2.gz SYCYNUJCYMXHGU-JTQLQIEISA-N -1 3 274.295 3.059 20 0 CGADHM Cc1ccc(C(C)(C)C(=O)Nc2ncccc2[O-])cc1 ZINC000180990407 346254862 /nfs/dbraw/zinc/25/48/62/346254862.db2.gz XIHKESNBMVHFCQ-UHFFFAOYSA-N -1 3 270.332 3.012 20 0 CGADHM CCc1ccc([C@@H](NCc2ccc(C)cc2)C(=O)[O-])cc1 ZINC000211620585 346286285 /nfs/dbraw/zinc/28/62/85/346286285.db2.gz ZUCFYRXUUDOCDG-QGZVFWFLSA-N -1 3 283.371 3.473 20 0 CGADHM Cc1ccccc1CN(C)CCOc1ccccc1C(=O)[O-] ZINC000314818050 346482667 /nfs/dbraw/zinc/48/26/67/346482667.db2.gz QEOSYEQVNSWYJA-UHFFFAOYSA-N -1 3 299.370 3.204 20 0 CGADHM O=C(Nc1ccc([O-])cc1Cl)C1CC(F)(F)C1 ZINC000383263213 346561849 /nfs/dbraw/zinc/56/18/49/346561849.db2.gz GIWWQFIXOCVRAW-UHFFFAOYSA-N -1 3 261.655 3.029 20 0 CGADHM CC(C)[C@H]1CN(Cc2c(F)ccc([O-])c2F)CCS1 ZINC000351755331 219198307 /nfs/dbraw/zinc/19/83/07/219198307.db2.gz FRMMUDWLLCIVOI-CYBMUJFWSA-N -1 3 287.375 3.244 20 0 CGADHM CC(C)[C@@H](O)C(C)(C)CNCc1cccc([O-])c1Cl ZINC000339323190 215096021 /nfs/dbraw/zinc/09/60/21/215096021.db2.gz HOANCXNQTMZUKF-CQSZACIVSA-N -1 3 285.815 3.178 20 0 CGADHM O=C1CCC[C@@H]1CCSCc1cc(=O)[n-]c(C2CC2)n1 ZINC000600633978 347820652 /nfs/dbraw/zinc/82/06/52/347820652.db2.gz VOPGGWYWJOCURS-SNVBAGLBSA-N -1 3 292.404 3.052 20 0 CGADHM [O-]c1cccc(CNCC2(C(F)(F)F)CC2)c1Cl ZINC000339393617 215142327 /nfs/dbraw/zinc/14/23/27/215142327.db2.gz LPNBMTUOFVXQIK-UHFFFAOYSA-N -1 3 279.689 3.478 20 0 CGADHM C[C@@H](C(=O)Nc1n[n-]c(-c2ccccc2F)n1)C(C)(C)C ZINC000604601549 348126250 /nfs/dbraw/zinc/12/62/50/348126250.db2.gz RLSQLLLAKMFTOD-VIFPVBQESA-N -1 3 290.342 3.232 20 0 CGADHM Cc1ccc([O-])c(C(=O)N[C@H]2CSc3ccccc32)c1 ZINC000605111004 348147099 /nfs/dbraw/zinc/14/70/99/348147099.db2.gz ZLQIQQLQTJZEKN-ZDUSSCGKSA-N -1 3 285.368 3.277 20 0 CGADHM O=C(Nc1ccc([O-])cc1F)[C@@H]1CCCC2(CC2)C1 ZINC000613332530 348591883 /nfs/dbraw/zinc/59/18/83/348591883.db2.gz WTQYTAGXNFCADP-SNVBAGLBSA-N -1 3 263.312 3.440 20 0 CGADHM O=C([C@@H]1CCC[C@H]2C[C@H]21)N1CCCc2cccc([O-])c21 ZINC000613161058 348569851 /nfs/dbraw/zinc/56/98/51/348569851.db2.gz UEBSBUKZJWXGCO-BFHYXJOUSA-N -1 3 271.360 3.108 20 0 CGADHM CSc1ccc([O-])c(C(=O)N2CCSCC[C@H]2C)c1 ZINC000613951595 348643022 /nfs/dbraw/zinc/64/30/22/348643022.db2.gz GYJOCSIVGNDSOM-SNVBAGLBSA-N -1 3 297.445 3.082 20 0 CGADHM CSc1ccc([O-])c(C(=O)NC2(C(C)C)CC2)c1 ZINC000615358975 348734369 /nfs/dbraw/zinc/73/43/69/348734369.db2.gz WVIXKNUAGKSNLO-UHFFFAOYSA-N -1 3 265.378 3.033 20 0 CGADHM CCc1nocc1C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000614488489 348680399 /nfs/dbraw/zinc/68/03/99/348680399.db2.gz MSXYEEULEIEFEO-UHFFFAOYSA-N -1 3 288.347 3.492 20 0 CGADHM CCN(C(=O)c1ccc(C(C)=O)c([O-])c1)[C@H](C)C(C)C ZINC000615008556 348707354 /nfs/dbraw/zinc/70/73/54/348707354.db2.gz ZGZYRTUUZKTFNS-LLVKDONJSA-N -1 3 277.364 3.101 20 0 CGADHM CCCC(C)(C)C(=O)NCc1ccc([O-])c2ncccc12 ZINC000616019340 348781862 /nfs/dbraw/zinc/78/18/62/348781862.db2.gz CFCAGQYCQAEHDA-UHFFFAOYSA-N -1 3 286.375 3.383 20 0 CGADHM CSc1ccc([O-])c(C(=O)NC(C)(C)C(F)(F)F)c1 ZINC000616205262 348798340 /nfs/dbraw/zinc/79/83/40/348798340.db2.gz OJARCCOJCUPGQM-UHFFFAOYSA-N -1 3 293.310 3.185 20 0 CGADHM CC(=O)[C@H]1CCCCN1C(=O)c1ccc(C(C)C)cc1[O-] ZINC000615520157 348745391 /nfs/dbraw/zinc/74/53/91/348745391.db2.gz KCVIHFYZGCXOOH-OAHLLOKOSA-N -1 3 289.375 3.099 20 0 CGADHM CC(C)C1(NCc2nc3c4ccccc4oc3c(=O)[n-]2)CC1 ZINC000339505132 215216204 /nfs/dbraw/zinc/21/62/04/215216204.db2.gz PSLLIDSUAGERTM-UHFFFAOYSA-N -1 3 297.358 3.360 20 0 CGADHM O=C(c1cc([O-])ccc1C(F)(F)F)N1C[C@@H]2CCCC[C@@H]21 ZINC000616724740 348873201 /nfs/dbraw/zinc/87/32/01/348873201.db2.gz WGMCVYVYWBFFKC-ZANVPECISA-N -1 3 299.292 3.426 20 0 CGADHM CCO[C@H](CC(=O)Nc1ccc([O-])cc1Cl)C(C)C ZINC000616940905 348885155 /nfs/dbraw/zinc/88/51/55/348885155.db2.gz JUUUGKDJQKZJGS-CYBMUJFWSA-N -1 3 285.771 3.435 20 0 CGADHM C[C@H](C(=O)Nc1ccc([O-])cc1Cl)N1CCCCCC1 ZINC000616942260 348885847 /nfs/dbraw/zinc/88/58/47/348885847.db2.gz WZFHAIFUPJQRPO-LLVKDONJSA-N -1 3 296.798 3.249 20 0 CGADHM C[C@H](C(=O)Nc1ccc([O-])cc1Cl)C1CCC1 ZINC000616943366 348885963 /nfs/dbraw/zinc/88/59/63/348885963.db2.gz YHKVSALLMVPURZ-QMMMGPOBSA-N -1 3 253.729 3.420 20 0 CGADHM O=C(c1ccccc1[O-])N1CC[C@H](C2CCCCC2)C1 ZINC000618182349 349057437 /nfs/dbraw/zinc/05/74/37/349057437.db2.gz FSMQJAAAODHSEY-AWEZNQCLSA-N -1 3 273.376 3.435 20 0 CGADHM O=[S@](c1ccc([O-])cc1)[C@@H]1CCc2ccccc21 ZINC000618630983 349130782 /nfs/dbraw/zinc/13/07/82/349130782.db2.gz CPOGYQMMSLYTDC-CRAIPNDOSA-N -1 3 258.342 3.187 20 0 CGADHM Cc1occc1CNC(=O)c1ccc(C(C)C)cc1[O-] ZINC000618835149 349159827 /nfs/dbraw/zinc/15/98/27/349159827.db2.gz JGJKJTALGCVMOT-UHFFFAOYSA-N -1 3 273.332 3.347 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CCC[C@H](C3CCC3)C2)c1 ZINC000620213738 349341151 /nfs/dbraw/zinc/34/11/51/349341151.db2.gz FVCYUDPTHRAAAV-AWEZNQCLSA-N -1 3 273.376 3.353 20 0 CGADHM CC[C@@H]1CCC[C@H](C)N1C(=O)c1ccc(C)cc1[O-] ZINC000620576646 349388540 /nfs/dbraw/zinc/38/85/40/349388540.db2.gz CPOBOBPPFBRDCD-QWHCGFSZSA-N -1 3 261.365 3.494 20 0 CGADHM COc1cc(C(=O)NC[C@@H](C)C2CCCCC2)ccc1[O-] ZINC000620371228 349364587 /nfs/dbraw/zinc/36/45/87/349364587.db2.gz NLTOKVRAQFGIIX-GFCCVEGCSA-N -1 3 291.391 3.347 20 0 CGADHM Cc1cccc([O-])c1C(=O)N([C@H](C)C(C)C)C1CC1 ZINC000624587040 350067503 /nfs/dbraw/zinc/06/75/03/350067503.db2.gz SEGSANMKVXTPBQ-GFCCVEGCSA-N -1 3 261.365 3.350 20 0 CGADHM CCCN(C(=O)c1cc(=O)[n-]cn1)[C@H](CC)c1ccccc1 ZINC000624795795 350104653 /nfs/dbraw/zinc/10/46/53/350104653.db2.gz BZSAFCMAWXAQCV-OAHLLOKOSA-N -1 3 299.374 3.186 20 0 CGADHM CN(CCC1CCOCC1)Cc1cc([O-])ccc1Cl ZINC000625221757 350143635 /nfs/dbraw/zinc/14/36/35/350143635.db2.gz HEPBNPFNCMFHPW-UHFFFAOYSA-N -1 3 283.799 3.294 20 0 CGADHM CCOC1CC2(C1)CCN(Cc1cc([O-])ccc1Cl)C2 ZINC000625427023 350169279 /nfs/dbraw/zinc/16/92/79/350169279.db2.gz ISFQUVCDIPVGPC-UHFFFAOYSA-N -1 3 295.810 3.437 20 0 CGADHM [O-]c1ccc(Cl)c(CN2CCCC[C@H]2c2cc[nH]n2)c1 ZINC000625422718 350169748 /nfs/dbraw/zinc/16/97/48/350169748.db2.gz SSXIADQRXFPXSW-HNNXBMFYSA-N -1 3 291.782 3.496 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CC[C@@H](Cc2ccccc2)C1 ZINC000625785399 350213319 /nfs/dbraw/zinc/21/33/19/350213319.db2.gz NAVYPTQTOUXPON-INIZCTEOSA-N -1 3 295.382 3.405 20 0 CGADHM CCC[C@@H]1CCCN(C(=O)c2c(C)cccc2[O-])C1 ZINC000626073532 350256791 /nfs/dbraw/zinc/25/67/91/350256791.db2.gz RBQKEURDAVZMAC-CYBMUJFWSA-N -1 3 261.365 3.353 20 0 CGADHM O=C(Nc1ncccc1[O-])c1cc(C2CC2)[nH]c1C1CC1 ZINC000626423804 350304966 /nfs/dbraw/zinc/30/49/66/350304966.db2.gz QIBMVLGNMZEYPK-UHFFFAOYSA-N -1 3 283.331 3.122 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CC[C@H](C)C(C)(C)C1 ZINC000626455343 350308599 /nfs/dbraw/zinc/30/85/99/350308599.db2.gz AZKNWVWBPCTXTF-LBPRGKRZSA-N -1 3 261.365 3.209 20 0 CGADHM Cc1cccc([O-])c1C(=O)N(C1CCC1)C1CCC1 ZINC000627507045 350362491 /nfs/dbraw/zinc/36/24/91/350362491.db2.gz XQXAFVCUQNTWJR-UHFFFAOYSA-N -1 3 259.349 3.248 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CCC[C@@H](c2ccccn2)C1 ZINC000627517767 350362901 /nfs/dbraw/zinc/36/29/01/350362901.db2.gz MPISSCUFKOBPHR-CQSZACIVSA-N -1 3 296.370 3.115 20 0 CGADHM COc1ccc(NC(=O)c2cc([O-])ccc2Cl)cc1O ZINC000352139739 219334944 /nfs/dbraw/zinc/33/49/44/219334944.db2.gz HFGUTLCHSIBLNM-UHFFFAOYSA-N -1 3 293.706 3.012 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CC[C@@H](CC(F)(F)F)C1 ZINC000626668913 350331207 /nfs/dbraw/zinc/33/12/07/350331207.db2.gz HDGKZVDENKVBCQ-JTQLQIEISA-N -1 3 287.281 3.115 20 0 CGADHM CC(C)CC[C@H](C)NC(=O)c1c[n-]nc1-c1ccccn1 ZINC000352162402 219343548 /nfs/dbraw/zinc/34/35/48/219343548.db2.gz MNSIXACZKQWBDI-LBPRGKRZSA-N -1 3 286.379 3.026 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CCCC[C@@H]1C1CCC1 ZINC000627978355 350388269 /nfs/dbraw/zinc/38/82/69/350388269.db2.gz WMCUMSOPPXPTNE-CQSZACIVSA-N -1 3 273.376 3.495 20 0 CGADHM CCC[C@H](C)CCCSc1nc2c(cnn2C)c(=O)[n-]1 ZINC000629220279 350670502 /nfs/dbraw/zinc/67/05/02/350670502.db2.gz KSNINEKFXVEZCS-JTQLQIEISA-N -1 3 294.424 3.377 20 0 CGADHM O=C([O-])C1(NCc2ccncc2Cl)CCCCCC1 ZINC000629358341 350676352 /nfs/dbraw/zinc/67/63/52/350676352.db2.gz GMFXLDXMYWGEJF-UHFFFAOYSA-N -1 3 282.771 3.002 20 0 CGADHM C[C@@H](c1ccc(C(=O)[O-])o1)N1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000629364574 350677965 /nfs/dbraw/zinc/67/79/65/350677965.db2.gz NZWDBPVJEIJIFQ-AEJSXWLSSA-N -1 3 287.306 3.262 20 0 CGADHM CC1(C)CC(CN2Cc3ccc(C(=O)[O-])cc3C2)C1 ZINC000629362595 350678058 /nfs/dbraw/zinc/67/80/58/350678058.db2.gz WJDRKFMWLLXWDJ-UHFFFAOYSA-N -1 3 259.349 3.137 20 0 CGADHM Cc1cccc(C(=O)N2CC[C@@H](c3ccc(O)cc3)C2)c1[O-] ZINC000629666785 350733388 /nfs/dbraw/zinc/73/33/88/350733388.db2.gz MPDCHQVNSLXGLP-CQSZACIVSA-N -1 3 297.354 3.036 20 0 CGADHM C/C=C\C[C@H]1CCCN(C(=O)c2ccc(OC)cc2[O-])C1 ZINC000629878471 350783808 /nfs/dbraw/zinc/78/38/08/350783808.db2.gz NOQSOPOVTUPJOU-SCOBNMCVSA-N -1 3 289.375 3.219 20 0 CGADHM CC(C)c1cnc(S(=O)(=O)Cc2cccc(Cl)c2)[n-]1 ZINC000630431979 350839286 /nfs/dbraw/zinc/83/92/86/350839286.db2.gz GXFIJFQYZMVMQI-UHFFFAOYSA-N -1 3 298.795 3.160 20 0 CGADHM CC(C)c1c[n-]c(S(=O)(=O)Cc2cccc(Cl)c2)n1 ZINC000630431979 350839289 /nfs/dbraw/zinc/83/92/89/350839289.db2.gz GXFIJFQYZMVMQI-UHFFFAOYSA-N -1 3 298.795 3.160 20 0 CGADHM Cc1ccc(CNCCCC(C)(C)C(=O)[O-])c(F)c1 ZINC000630450613 350841568 /nfs/dbraw/zinc/84/15/68/350841568.db2.gz DLXGOJQIXGFKRZ-UHFFFAOYSA-N -1 3 267.344 3.115 20 0 CGADHM CCn1cc(-c2nc(-c3ccc([O-])cc3)no2)c(C2CC2)n1 ZINC000632097113 351167270 /nfs/dbraw/zinc/16/72/70/351167270.db2.gz DDXLWDZRUKSIBE-UHFFFAOYSA-N -1 3 296.330 3.203 20 0 CGADHM C[C@@H]1C[C@H](C(=O)N2CC[C@@H](C)c3cccc([O-])c32)[C@@H](C)O1 ZINC000632506682 351202261 /nfs/dbraw/zinc/20/22/61/351202261.db2.gz GYXRQWAJTOEMBO-BYNQJWBRSA-N -1 3 289.375 3.046 20 0 CGADHM Cc1cc(OCCCC2CCOCC2)cc2occ([O-])c21 ZINC000634561221 351514508 /nfs/dbraw/zinc/51/45/08/351514508.db2.gz RCYQRUXOYXPIMW-UHFFFAOYSA-N -1 3 290.359 3.156 20 0 CGADHM CCc1[n-]n(Cc2cccc(F)c2)c(=O)c1C(C)C ZINC000634589933 351527352 /nfs/dbraw/zinc/52/73/52/351527352.db2.gz MFDFQPQFQYSISA-CQSZACIVSA-N -1 3 262.328 3.206 20 0 CGADHM CCN(Cc1cc(Cl)cc(Cl)c1F)[C@H](C)C(=O)[O-] ZINC000635017413 351631949 /nfs/dbraw/zinc/63/19/49/351631949.db2.gz HPEYMFBOPSWHPK-SSDOTTSWSA-N -1 3 294.153 3.428 20 0 CGADHM CCCC[C@@H](CC)C(=O)NC(C)(C)c1nc(C)cc(=O)[n-]1 ZINC000636115768 351723422 /nfs/dbraw/zinc/72/34/22/351723422.db2.gz ULBBYQXOQUZBSX-GFCCVEGCSA-N -1 3 293.411 3.058 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)Nc1ccc2c(c1)OC(C)(C)O2 ZINC000291772064 198086760 /nfs/dbraw/zinc/08/67/60/198086760.db2.gz MTUUKXNKCRDBPC-SNVBAGLBSA-N -1 3 294.351 3.293 20 0 CGADHM Cc1cccc(NC([O-])=NOCCC(F)(F)F)c1 ZINC000122432144 187031960 /nfs/dbraw/zinc/03/19/60/187031960.db2.gz GHLVZTVLNVXZHU-UHFFFAOYSA-N -1 3 262.231 3.001 20 0 CGADHM Cc1cccc(NC(=O)[N-]OCCC(F)(F)F)c1 ZINC000122432144 187031961 /nfs/dbraw/zinc/03/19/61/187031961.db2.gz GHLVZTVLNVXZHU-UHFFFAOYSA-N -1 3 262.231 3.001 20 0 CGADHM O=C([N-]c1nncs1)c1c(Cl)cc(F)cc1Cl ZINC000336133315 304022776 /nfs/dbraw/zinc/02/27/76/304022776.db2.gz MVWRBDMQWKWLIT-UHFFFAOYSA-N -1 3 292.122 3.236 20 0 CGADHM O=C(c1csc(=O)[n-]1)N1CCC2(CCCCC2)CC1 ZINC000363819004 234001520 /nfs/dbraw/zinc/00/15/20/234001520.db2.gz KUFBJCLYNNYSMG-UHFFFAOYSA-N -1 3 280.393 3.035 20 0 CGADHM CC[C@H]1CC[C@@H](C)N1C(=O)NCc1ccc([O-])c(F)c1 ZINC000271589017 191228502 /nfs/dbraw/zinc/22/85/02/191228502.db2.gz SSNXFQYPIGLEMX-PWSUYJOCSA-N -1 3 280.343 3.004 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)C[C@H](C)c1ccccc1OC ZINC000292176540 198192294 /nfs/dbraw/zinc/19/22/94/198192294.db2.gz MEJKPPNCNJFKSY-OLZOCXBDSA-N -1 3 279.380 3.283 20 0 CGADHM CCCCN(C(=O)c1cc(=O)[n-]c(C2CC2)n1)[C@H](C)CC ZINC000514871982 535190333 /nfs/dbraw/zinc/19/03/33/535190333.db2.gz VVNYGXGNUHDADC-LLVKDONJSA-N -1 3 291.395 3.100 20 0 CGADHM CC(C)CO[N-]C(=O)/C=C/c1ccccc1OC(F)F ZINC000153347195 188077038 /nfs/dbraw/zinc/07/70/38/188077038.db2.gz XOPQXLYYNHBQPX-BQYQJAHWSA-N -1 3 285.290 3.005 20 0 CGADHM O=C(c1cccc([O-])c1)N1CCS[C@@H](c2ccccc2)C1 ZINC000369417924 234373776 /nfs/dbraw/zinc/37/37/76/234373776.db2.gz MJKRLSPHJXLDRB-MRXNPFEDSA-N -1 3 299.395 3.323 20 0 CGADHM C[C@@H](COc1cccc(F)c1)[N-]c1nnc(C(F)F)o1 ZINC000292482444 198304819 /nfs/dbraw/zinc/30/48/19/198304819.db2.gz LWVHEEDYOBOXKT-ZETCQYMHSA-N -1 3 287.241 3.026 20 0 CGADHM CCCC[C@H](CC)CC(=O)[N-]OCc1cccnc1 ZINC000155869806 188232560 /nfs/dbraw/zinc/23/25/60/188232560.db2.gz GYOYZNLCWMWGDI-ZDUSSCGKSA-N -1 3 264.369 3.236 20 0 CGADHM CC(C)COc1ccccc1NC([O-])=NOCC1CC1 ZINC000292550862 198329609 /nfs/dbraw/zinc/32/96/09/198329609.db2.gz HHRGBQFNVZPMOZ-UHFFFAOYSA-N -1 3 278.352 3.185 20 0 CGADHM CC(C)COc1ccccc1NC(=O)[N-]OCC1CC1 ZINC000292550862 198329611 /nfs/dbraw/zinc/32/96/11/198329611.db2.gz HHRGBQFNVZPMOZ-UHFFFAOYSA-N -1 3 278.352 3.185 20 0 CGADHM O=C([N-]OCC1CC1)Nc1ccc(OC2CCCC2)cc1 ZINC000292626830 198355483 /nfs/dbraw/zinc/35/54/83/198355483.db2.gz LRKVCKDMSZGVSZ-UHFFFAOYSA-N -1 3 290.363 3.471 20 0 CGADHM Cc1c(NC(=O)[N-]OCC2CC2)cccc1C(F)(F)F ZINC000292693030 198378341 /nfs/dbraw/zinc/37/83/41/198378341.db2.gz KIZHYJAQMZEWSX-UHFFFAOYSA-N -1 3 288.269 3.477 20 0 CGADHM C[C@H]1CC2(CCC2)CN1C(=O)NCc1ccc([O-])c(F)c1 ZINC000336416853 213273953 /nfs/dbraw/zinc/27/39/53/213273953.db2.gz ZFMHCLXHQPHBIJ-NSHDSACASA-N -1 3 292.354 3.005 20 0 CGADHM CC/C=C\C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000451770422 535259360 /nfs/dbraw/zinc/25/93/60/535259360.db2.gz FLUJSTOYBFKKNO-ARJAWSKDSA-N -1 3 294.203 3.238 20 0 CGADHM [O-]C(=NOC1CCCC1)Nc1ccc2scnc2c1 ZINC000271863105 191375649 /nfs/dbraw/zinc/37/56/49/191375649.db2.gz ZLHYQRTYTHUEJK-UHFFFAOYSA-N -1 3 277.349 3.292 20 0 CGADHM O=C([N-]OC1CCCC1)Nc1ccc2scnc2c1 ZINC000271863105 191375652 /nfs/dbraw/zinc/37/56/52/191375652.db2.gz ZLHYQRTYTHUEJK-UHFFFAOYSA-N -1 3 277.349 3.292 20 0 CGADHM Cc1ncsc1C=Cc1cc(=O)[n-]c(C(C)(C)C)n1 ZINC000414077588 235330873 /nfs/dbraw/zinc/33/08/73/235330873.db2.gz QBUNTDYUQNDLRP-AATRIKPKSA-N -1 3 275.377 3.415 20 0 CGADHM CC1(CSc2n[n-]c(-c3ccccn3)n2)CCC1 ZINC000328854876 202086167 /nfs/dbraw/zinc/08/61/67/202086167.db2.gz SYQAQSPIBNQMGM-UHFFFAOYSA-N -1 3 260.366 3.149 20 0 CGADHM C[C@H](NCc1cc(C(F)(F)F)ccc1F)[C@H](C)C(=O)[O-] ZINC000417606654 235640768 /nfs/dbraw/zinc/64/07/68/235640768.db2.gz FSXFWJWZZWGAKH-YUMQZZPRSA-N -1 3 293.260 3.043 20 0 CGADHM Cc1cccc(C(=O)NCc2ccc([O-])c(F)c2)c1Cl ZINC000123512361 138367894 /nfs/dbraw/zinc/36/78/94/138367894.db2.gz AUXABAFZUDTWGI-UHFFFAOYSA-N -1 3 293.725 3.423 20 0 CGADHM O=C(CCc1ccccc1Cl)Nc1ccncc1[O-] ZINC000109889834 138362018 /nfs/dbraw/zinc/36/20/18/138362018.db2.gz KWYUIRCPVYXIEV-UHFFFAOYSA-N -1 3 276.723 3.012 20 0 CGADHM Cc1cc([N-]C(=O)[C@@H](C)N2CCCc3ccc(C)cc32)on1 ZINC000111261780 138364186 /nfs/dbraw/zinc/36/41/86/138364186.db2.gz MFNRMWTWAGMPSG-CYBMUJFWSA-N -1 3 299.374 3.071 20 0 CGADHM Cc1cccc(C)c1C[S@@](=O)c1ccc([O-])cc1 ZINC000127605585 138389665 /nfs/dbraw/zinc/38/96/65/138389665.db2.gz DDMRKWOUPMKBLG-SFHVURJKSA-N -1 3 260.358 3.317 20 0 CGADHM Cc1cccc(C)c1C[S@](=O)c1ccc([O-])cc1 ZINC000127605815 138389773 /nfs/dbraw/zinc/38/97/73/138389773.db2.gz DDMRKWOUPMKBLG-GOSISDBHSA-N -1 3 260.358 3.317 20 0 CGADHM COC1(CCNC(=O)c2cc([O-])c3ccccc3c2)CCC1 ZINC000294088283 198903296 /nfs/dbraw/zinc/90/32/96/198903296.db2.gz SPXHELZXYIUFJL-UHFFFAOYSA-N -1 3 299.370 3.234 20 0 CGADHM CC(C)(NCc1c(Cl)oc2ccccc21)C(=O)[O-] ZINC000340671686 215676332 /nfs/dbraw/zinc/67/63/32/215676332.db2.gz QCJDPEMUMBBAEQ-UHFFFAOYSA-N -1 3 267.712 3.039 20 0 CGADHM C[C@@H]1CCCN(C(=O)c2cc([O-])ccc2Cl)[C@@H]1C ZINC000235390333 138513289 /nfs/dbraw/zinc/51/32/89/138513289.db2.gz PHOKLWAPLYGDKZ-NXEZZACHSA-N -1 3 267.756 3.306 20 0 CGADHM Cc1cc(F)c(CNCCCC(C)(C)C(=O)[O-])c(F)c1 ZINC000424626328 236173533 /nfs/dbraw/zinc/17/35/33/236173533.db2.gz UOAOFOREEZVZPZ-UHFFFAOYSA-N -1 3 285.334 3.254 20 0 CGADHM Cc1cccc([O-])c1NC(=O)[C@H]1CCC(=O)c2ccccc21 ZINC000336235065 213065184 /nfs/dbraw/zinc/06/51/84/213065184.db2.gz KGSPVLCTISWSQM-AWEZNQCLSA-N -1 3 295.338 3.399 20 0 CGADHM O=C(c1ccccc1[O-])N1CC(C2CCCCC2)C1 ZINC000294529055 199073971 /nfs/dbraw/zinc/07/39/71/199073971.db2.gz ZFTLNFGPSMMYJV-UHFFFAOYSA-N -1 3 259.349 3.045 20 0 CGADHM CC1(C)C[C@H]1NC(=O)CCc1ccc2ccccc2c1[O-] ZINC000294554375 199084120 /nfs/dbraw/zinc/08/41/20/199084120.db2.gz NTZUGPXHCFCQHF-OAHLLOKOSA-N -1 3 283.371 3.393 20 0 CGADHM Cc1ccccc1CN[C@H](CC(=O)[O-])c1ccsc1 ZINC000426681615 236306471 /nfs/dbraw/zinc/30/64/71/236306471.db2.gz BMZBVMUAUOSUGF-CQSZACIVSA-N -1 3 275.373 3.362 20 0 CGADHM Cc1ccccc1CN[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000426770553 236312537 /nfs/dbraw/zinc/31/25/37/236312537.db2.gz TVIRZMPQRGJHHF-HNNXBMFYSA-N -1 3 273.307 3.050 20 0 CGADHM O=C([O-])[C@H](NCc1cccc(Cl)c1)c1cccs1 ZINC000426780305 236313429 /nfs/dbraw/zinc/31/34/29/236313429.db2.gz QJAMDVJXFOSKLK-GFCCVEGCSA-N -1 3 281.764 3.317 20 0 CGADHM O=C([O-])[C@@H](NCc1coc2ccccc12)c1cccc(F)c1 ZINC000426818980 236316306 /nfs/dbraw/zinc/31/63/06/236316306.db2.gz GWWHPWOXGZQPJY-INIZCTEOSA-N -1 3 299.301 3.487 20 0 CGADHM Cc1cc(C(=O)NCc2ccc(Cl)cc2F)ccc1[O-] ZINC000428280330 236387812 /nfs/dbraw/zinc/38/78/12/236387812.db2.gz FXANAXSLEHENSA-UHFFFAOYSA-N -1 3 293.725 3.423 20 0 CGADHM Cc1ccc(C(=O)NC[C@H]2[C@@H]3c4ccccc4C[C@H]23)c([O-])c1 ZINC000436609121 237145506 /nfs/dbraw/zinc/14/55/06/237145506.db2.gz VMUVDRIWYFMQBF-JFIYKMOQSA-N -1 3 293.366 3.016 20 0 CGADHM Cc1c2ccc(NC(=O)c3cccc(C)c3[O-])cc2nn1C ZINC000436644843 237148482 /nfs/dbraw/zinc/14/84/82/237148482.db2.gz BJODHHBGKHIFSW-UHFFFAOYSA-N -1 3 295.342 3.148 20 0 CGADHM COc1ccc(C(=O)N[C@@H]2c3ccccc3C[C@H]2C)c([O-])c1 ZINC000436544717 237127105 /nfs/dbraw/zinc/12/71/05/237127105.db2.gz KFWCWRAYGSJGJO-DIFFPNOSSA-N -1 3 297.354 3.064 20 0 CGADHM Cc1ccc(C(=O)Nc2cc(Cl)ccn2)c([O-])c1C ZINC000436569475 237130654 /nfs/dbraw/zinc/13/06/54/237130654.db2.gz DXRVEKCSIFDYOX-UHFFFAOYSA-N -1 3 276.723 3.310 20 0 CGADHM Cc1nc(C)c(NC(=O)c2ccc(C)c(C)c2[O-])s1 ZINC000436582818 237135836 /nfs/dbraw/zinc/13/58/36/237135836.db2.gz CGNRMCZWDJHLMI-UHFFFAOYSA-N -1 3 276.361 3.335 20 0 CGADHM Cc1cc(C(=O)N[C@H]2C[C@H](OC(C)C)C2(C)C)ccc1[O-] ZINC000436809715 237185708 /nfs/dbraw/zinc/18/57/08/237185708.db2.gz POHDWGCXKRITPG-GJZGRUSLSA-N -1 3 291.391 3.023 20 0 CGADHM Cc1cc(C(=O)NCC(C)(C)c2ncccc2C)ccc1[O-] ZINC000436811396 237185891 /nfs/dbraw/zinc/18/58/91/237185891.db2.gz AHAMOGDVRBRQLM-UHFFFAOYSA-N -1 3 298.386 3.112 20 0 CGADHM O=C(c1ccc2c(c1[O-])CCCC2)N1CC[C@@H](C2CC2)C1 ZINC000436990062 237223761 /nfs/dbraw/zinc/22/37/61/237223761.db2.gz SXSXLKKMIVSCQY-CQSZACIVSA-N -1 3 285.387 3.143 20 0 CGADHM CC(C)=CCC[C@@H](C)[N-]S(=O)(=O)c1ccc(C)o1 ZINC000451739544 240352953 /nfs/dbraw/zinc/35/29/53/240352953.db2.gz KENNAUDVBKAJHX-LLVKDONJSA-N -1 3 271.382 3.001 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)Nc1ccc(Cl)nc1C ZINC000296978334 200052638 /nfs/dbraw/zinc/05/26/38/200052638.db2.gz DQLAFSJDIWYRMK-QMMMGPOBSA-N -1 3 271.748 3.143 20 0 CGADHM CC(C)Oc1cccc(NC([O-])=NOC/C=C/Cl)c1 ZINC000297322953 200147695 /nfs/dbraw/zinc/14/76/95/200147695.db2.gz LQOBOWIZBUWEPP-QPJJXVBHSA-N -1 3 284.743 3.279 20 0 CGADHM CC(C)Oc1cccc(NC(=O)[N-]OC/C=C/Cl)c1 ZINC000297322953 200147697 /nfs/dbraw/zinc/14/76/97/200147697.db2.gz LQOBOWIZBUWEPP-QPJJXVBHSA-N -1 3 284.743 3.279 20 0 CGADHM COCCCO[N-]C(=O)Nc1cc(C)c(C)cc1Cl ZINC000297437385 200190173 /nfs/dbraw/zinc/19/01/73/200190173.db2.gz PHSMXCFTZWFGQD-UHFFFAOYSA-N -1 3 286.759 3.046 20 0 CGADHM CCOc1cc(CNc2cnn(CC)c2)cc(Cl)c1[O-] ZINC000297559957 200228747 /nfs/dbraw/zinc/22/87/47/200228747.db2.gz HCHZXYHPJVNNNS-UHFFFAOYSA-N -1 3 295.770 3.273 20 0 CGADHM Cc1c([N-]C(=O)COC(C)C)onc1C1CCCCC1 ZINC000297864982 200295263 /nfs/dbraw/zinc/29/52/63/200295263.db2.gz SVBVMLTVNJSDFL-UHFFFAOYSA-N -1 3 280.368 3.394 20 0 CGADHM CC[C@H](C)CN(CC)C(=O)c1c[n-]c2ccccc2c1=O ZINC000176645226 189003236 /nfs/dbraw/zinc/00/32/36/189003236.db2.gz PQOWGRZGQKLBRG-LBPRGKRZSA-N -1 3 286.375 3.036 20 0 CGADHM CC(C)CCSc1nc(=O)cc([O-])n1C1CCCC1 ZINC000298266444 200377325 /nfs/dbraw/zinc/37/73/25/200377325.db2.gz BOSXNFAAVIJOFP-UHFFFAOYSA-N -1 3 282.409 3.202 20 0 CGADHM Cc1cccc([O-])c1NC(=O)C[C@H]1OCCc2ccccc21 ZINC000179560095 189202163 /nfs/dbraw/zinc/20/21/63/189202163.db2.gz ZJXHQPDNCKTVBB-MRXNPFEDSA-N -1 3 297.354 3.343 20 0 CGADHM Cc1ccc(C(=O)N[C@@H]2C[C@H]2Cc2ccccc2)c([O-])c1C ZINC000439955134 238290789 /nfs/dbraw/zinc/29/07/89/238290789.db2.gz BBMOQWPOGMNFKI-NVXWUHKLSA-N -1 3 295.382 3.370 20 0 CGADHM COC(C)(C)C(=O)Nc1cc(Cc2ccccc2)ccc1[O-] ZINC000179808151 189221814 /nfs/dbraw/zinc/22/18/14/189221814.db2.gz SPWCZNKQORSHDS-UHFFFAOYSA-N -1 3 299.370 3.347 20 0 CGADHM CC[C@]1(C)CCN(C(=O)c2c[n-]c3ccc(C)cc3c2=O)C1 ZINC000342249971 216278278 /nfs/dbraw/zinc/27/82/78/216278278.db2.gz XQALECAFTGRRTD-GOSISDBHSA-N -1 3 298.386 3.099 20 0 CGADHM Clc1ccc(C[N-]c2nnc([C@H]3CCCO3)o2)s1 ZINC000181804496 189306924 /nfs/dbraw/zinc/30/69/24/189306924.db2.gz FUXDVNFJGDGEEB-MRVPVSSYSA-N -1 3 285.756 3.248 20 0 CGADHM COCCC[C@H](C)C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000182446816 189323834 /nfs/dbraw/zinc/32/38/34/189323834.db2.gz PNTVZHHADCSJFG-VIFPVBQESA-N -1 3 285.771 3.355 20 0 CGADHM C[C@@H]1CCCC[C@@H]1N(C)C(=O)Cc1ccc([O-])c(F)c1 ZINC000448656336 239010226 /nfs/dbraw/zinc/01/02/26/239010226.db2.gz NLWLFDXFZNRCMK-RISCZKNCSA-N -1 3 279.355 3.111 20 0 CGADHM Cc1ccc(-c2noc([N-][C@H](CO)CC(C)(C)C)n2)cc1 ZINC000302042177 201313836 /nfs/dbraw/zinc/31/38/36/201313836.db2.gz LSQVSOCJQLSNBG-ZDUSSCGKSA-N -1 3 289.379 3.254 20 0 CGADHM CCCn1c(=O)[n-]nc1S[C@H](C)C(=O)C1CCCCC1 ZINC000450672556 240027780 /nfs/dbraw/zinc/02/77/80/240027780.db2.gz HRGYHXZAMQROKB-SNVBAGLBSA-N -1 3 297.424 3.024 20 0 CGADHM Cc1csc(S(=O)(=O)[N-][C@@H]2CCc3ccccc32)c1 ZINC000451012967 240191004 /nfs/dbraw/zinc/19/10/04/240191004.db2.gz IEDKECATAVLMMV-CYBMUJFWSA-N -1 3 293.413 3.022 20 0 CGADHM Cc1ccc(NC(=O)c2[nH]ccc2C2CC2)c([O-])c1 ZINC000335582066 212292665 /nfs/dbraw/zinc/29/26/65/212292665.db2.gz VRFUVAHOISKDCC-UHFFFAOYSA-N -1 3 256.305 3.158 20 0 CGADHM COc1cc(-c2noc(C3=CCCCC3)n2)ccc1[O-] ZINC000275394477 193020204 /nfs/dbraw/zinc/02/02/04/193020204.db2.gz DALPNXKEGKDLTH-UHFFFAOYSA-N -1 3 272.304 3.408 20 0 CGADHM CO[C@@H](C)[C@H](C)[N-]c1nc(-c2cccc(Cl)c2)no1 ZINC000302613213 201490052 /nfs/dbraw/zinc/49/00/52/201490052.db2.gz CGHYKKVDYTUIGP-IUCAKERBSA-N -1 3 281.743 3.225 20 0 CGADHM CC(C)[C@@H]1CN(C(=O)Cc2ccc([O-])c(F)c2)[C@H]1C(C)C ZINC000456292202 241393509 /nfs/dbraw/zinc/39/35/09/241393509.db2.gz ORPMXQPRJGJONS-GUYCJALGSA-N -1 3 293.382 3.213 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)C2CC3(CCC3)C2)c1-c1ccccc1 ZINC000335547600 212249306 /nfs/dbraw/zinc/24/93/06/212249306.db2.gz GSAJTHDHUUBWIC-UHFFFAOYSA-N -1 3 295.386 3.326 20 0 CGADHM CCc1cc(=O)[n-]c(CN2CCC[C@]3(CC=CCC3)C2)n1 ZINC000120982214 370819894 /nfs/dbraw/zinc/81/98/94/370819894.db2.gz QSUZICLYUOPDNF-QGZVFWFLSA-N -1 3 287.407 3.067 20 0 CGADHM CCCN(Cc1cc(=O)[n-]c(-c2ccccc2)n1)C1CC1 ZINC000459344052 242083124 /nfs/dbraw/zinc/08/31/24/242083124.db2.gz UFTACFXUSNZRFZ-UHFFFAOYSA-N -1 3 283.375 3.224 20 0 CGADHM C[C@H](c1ccco1)N(Cc1cc(=O)[n-]c(C2CC2)n1)C1CC1 ZINC000459394442 242097071 /nfs/dbraw/zinc/09/70/71/242097071.db2.gz UBSQIOPCXRNBPW-LLVKDONJSA-N -1 3 299.374 3.378 20 0 CGADHM O=C([C@H]1CCCCC1(F)F)N1CCCc2cccc([O-])c21 ZINC000296678107 296102444 /nfs/dbraw/zinc/10/24/44/296102444.db2.gz AUXVAWMYXLHMCZ-GFCCVEGCSA-N -1 3 295.329 3.497 20 0 CGADHM Cc1ccc([O-])c(C(=O)N[C@@H]2CC[C@H]3CCC[C@H]3C2)c1 ZINC000460591613 242272007 /nfs/dbraw/zinc/27/20/07/242272007.db2.gz OOWQLAFBACRYDT-HZSPNIEDSA-N -1 3 273.376 3.399 20 0 CGADHM Cc1ccc([O-])c(C(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)c1 ZINC000460591612 242272469 /nfs/dbraw/zinc/27/24/69/242272469.db2.gz OOWQLAFBACRYDT-BFHYXJOUSA-N -1 3 273.376 3.399 20 0 CGADHM COc1ccc([O-])c(C(=O)N2CC[C@@H](c3ccccc3)C2)c1 ZINC000121542099 370872000 /nfs/dbraw/zinc/87/20/00/370872000.db2.gz GIMXCDLWNZCFHU-CQSZACIVSA-N -1 3 297.354 3.031 20 0 CGADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCCCCC1 ZINC000468567308 242648120 /nfs/dbraw/zinc/64/81/20/242648120.db2.gz WRXDTKUTXFRDPY-UHFFFAOYSA-N -1 3 279.355 3.257 20 0 CGADHM Cc1ccnc([C@H]([N-]c2noc(C(C)(C)C)n2)C2CC2)n1 ZINC000302835326 201571611 /nfs/dbraw/zinc/57/16/11/201571611.db2.gz VCGFNPHTSFJWDK-LLVKDONJSA-N -1 3 287.367 3.029 20 0 CGADHM CC(C)=CC[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000480740795 243163517 /nfs/dbraw/zinc/16/35/17/243163517.db2.gz PYMVYBRFNFHCMF-UHFFFAOYSA-N -1 3 294.203 3.238 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2cc(F)cc(Cl)c2)n1 ZINC000486127409 243354278 /nfs/dbraw/zinc/35/42/78/243354278.db2.gz RAQPLIMKVVGMQE-IHWYPQMZSA-N -1 3 264.687 3.454 20 0 CGADHM COc1cc(C(=O)N2CC[C@@H](C)C3(CCC3)C2)ccc1[O-] ZINC000275999422 193185243 /nfs/dbraw/zinc/18/52/43/193185243.db2.gz ONZOLNGXJCQWAP-GFCCVEGCSA-N -1 3 289.375 3.053 20 0 CGADHM CCOc1ccc(NC(=O)c2cccc(C)c2[O-])cc1 ZINC000019838035 368770629 /nfs/dbraw/zinc/77/06/29/368770629.db2.gz VTQQPLOSUSSXHM-UHFFFAOYSA-N -1 3 271.316 3.352 20 0 CGADHM Cc1ccc(NC(=O)/C=C\c2cccc(O)c2)c([O-])c1 ZINC000492976749 244066374 /nfs/dbraw/zinc/06/63/74/244066374.db2.gz YYZPFFDXRHVEIJ-VURMDHGXSA-N -1 3 269.300 3.058 20 0 CGADHM CCc1ccc(CN(C)C(=O)/C=C/c2cncc([O-])c2)cc1 ZINC000493286681 244132749 /nfs/dbraw/zinc/13/27/49/244132749.db2.gz DRUJYEXMNYCBHL-CMDGGOBGSA-N -1 3 296.370 3.021 20 0 CGADHM O=C(/C=C\c1c(F)cccc1F)Nc1ccc([O-])cc1F ZINC000493203308 244116957 /nfs/dbraw/zinc/11/69/57/244116957.db2.gz SEYIDUUVKYPHTC-ALCCZGGFSA-N -1 3 293.244 3.461 20 0 CGADHM O=C(/C=C\c1cncs1)Nc1c([O-])cccc1Cl ZINC000493324875 244142018 /nfs/dbraw/zinc/14/20/18/244142018.db2.gz QTJKELOPGDMOJH-PLNGDYQASA-N -1 3 280.736 3.154 20 0 CGADHM O=C(c1ccccc1[O-])N(Cc1cccs1)C1CC1 ZINC000042354609 369216166 /nfs/dbraw/zinc/21/61/66/369216166.db2.gz FHGGHMLYAXLRNP-UHFFFAOYSA-N -1 3 273.357 3.259 20 0 CGADHM O=C(/C=C/c1ccc(Cl)s1)[N-]OC/C=C\Cl ZINC000493469916 244169227 /nfs/dbraw/zinc/16/92/27/244169227.db2.gz UZXZRTKONCUMDZ-RRPUJVGUSA-N -1 3 278.160 3.215 20 0 CGADHM Cc1cccc(S(=O)(=O)[N-]c2ccc(F)cc2F)c1 ZINC000047367548 369313439 /nfs/dbraw/zinc/31/34/39/369313439.db2.gz OCLYRLNGYAXUPD-UHFFFAOYSA-N -1 3 283.299 3.074 20 0 CGADHM Cc1ccc(NC(=O)[C@H](C)OCCC(C)C)c([O-])c1 ZINC000049287921 369395883 /nfs/dbraw/zinc/39/58/83/369395883.db2.gz OLVDHIYDMWAXEL-LBPRGKRZSA-N -1 3 265.353 3.090 20 0 CGADHM CCOc1cccc(NC(=O)c2cccc([O-])c2)c1 ZINC000049570537 369410267 /nfs/dbraw/zinc/41/02/67/369410267.db2.gz FFNYAVSSUUFCTD-UHFFFAOYSA-N -1 3 257.289 3.043 20 0 CGADHM CCN(C(=O)c1cc(OC)ccc1[O-])C1CCCCC1 ZINC000052076538 369462853 /nfs/dbraw/zinc/46/28/53/369462853.db2.gz ALDIAFLASHPIJZ-UHFFFAOYSA-N -1 3 277.364 3.196 20 0 CGADHM CCC[C@@H](NCc1cccc(Cl)c1Cl)C(=O)[O-] ZINC000075436678 369907411 /nfs/dbraw/zinc/90/74/11/369907411.db2.gz ROCDXNSSCVWKKS-SNVBAGLBSA-N -1 3 276.163 3.336 20 0 CGADHM C[C@@H]1CCC[C@H](C)C1NC(=O)NCc1ccc([O-])c(F)c1 ZINC000081497753 369997406 /nfs/dbraw/zinc/99/74/06/369997406.db2.gz WIYOYIQZBCGTBQ-YWXMQNBFSA-N -1 3 294.370 3.155 20 0 CGADHM Cc1nnsc1C(=O)[N-]c1cc(Cl)cc(F)c1F ZINC000336487168 213360046 /nfs/dbraw/zinc/36/00/46/213360046.db2.gz HMHNPFYOZNDKCZ-UHFFFAOYSA-N -1 3 289.694 3.030 20 0 CGADHM O=C(Cc1c[nH]c2cc(F)ccc12)Nc1ccccc1[O-] ZINC000101630809 370293442 /nfs/dbraw/zinc/29/34/42/370293442.db2.gz MQVPOVFQFHYJSP-UHFFFAOYSA-N -1 3 284.290 3.194 20 0 CGADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@H]1C[C@@H]1C(F)F ZINC000513809117 245096353 /nfs/dbraw/zinc/09/63/53/245096353.db2.gz FEGYEKDAQBHFHU-BQBZGAKWSA-N -1 3 295.207 3.251 20 0 CGADHM CCN(C(=O)c1cc(C)ccc1[O-])[C@H](C)c1cccnc1 ZINC000115228909 370526679 /nfs/dbraw/zinc/52/66/79/370526679.db2.gz JEWTXHQOCKZEGD-CYBMUJFWSA-N -1 3 284.359 3.319 20 0 CGADHM CCc1cccc(C(=O)Nc2ccccc2F)c1[O-] ZINC000538752483 288587837 /nfs/dbraw/zinc/58/78/37/288587837.db2.gz OPESNHSWHZTPPO-UHFFFAOYSA-N -1 3 259.280 3.346 20 0 CGADHM Cc1ccc([O-])c(-c2nc([C@@H]3CCO[C@@H](C)C3)no2)c1 ZINC000331643461 204038584 /nfs/dbraw/zinc/03/85/84/204038584.db2.gz JYQXOUZSVWLOPV-WDEREUQCSA-N -1 3 274.320 3.033 20 0 CGADHM C[C@H](CCC(=O)[N-]OCc1cccnc1)c1ccccc1 ZINC000132500039 371179312 /nfs/dbraw/zinc/17/93/12/371179312.db2.gz GXDKFUCASQILDQ-CQSZACIVSA-N -1 3 284.359 3.213 20 0 CGADHM CCc1noc(C)c1[N-]C(=O)c1csc(C(C)C)n1 ZINC000132862671 371207379 /nfs/dbraw/zinc/20/73/79/371207379.db2.gz VURREJAHQOYFNX-UHFFFAOYSA-N -1 3 279.365 3.378 20 0 CGADHM CC[C@H](CC(=O)NCc1ccc([O-])c(F)c1)C(C)C ZINC000133181781 371232780 /nfs/dbraw/zinc/23/27/80/371232780.db2.gz GKXZUZQNCZIWJV-GFCCVEGCSA-N -1 3 267.344 3.220 20 0 CGADHM CCC(CC)C[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000134380370 371329581 /nfs/dbraw/zinc/32/95/81/371329581.db2.gz KIDHEDPNOBFHFK-UHFFFAOYSA-N -1 3 293.791 3.194 20 0 CGADHM CCc1cc(C(=O)[N-]c2nnc(CC)s2)oc1CC ZINC000134727588 371361151 /nfs/dbraw/zinc/36/11/51/371361151.db2.gz QWYYQMLGZATMGF-UHFFFAOYSA-N -1 3 279.365 3.071 20 0 CGADHM O=C(Cc1ccc([O-])cc1Cl)Nc1cccc(F)c1 ZINC000136119257 371461120 /nfs/dbraw/zinc/46/11/20/371461120.db2.gz MKSIXNRFYUVKHZ-UHFFFAOYSA-N -1 3 279.698 3.366 20 0 CGADHM CSc1nsc([N-]C(=O)c2occc2C(C)C)n1 ZINC000287207133 371620545 /nfs/dbraw/zinc/62/05/45/371620545.db2.gz UOJHYVNPCXGELU-UHFFFAOYSA-N -1 3 283.378 3.229 20 0 CGADHM O=C([N-]OCc1ccc(C(F)(F)F)cc1)C1CC=CC1 ZINC000152142877 371677687 /nfs/dbraw/zinc/67/76/87/371677687.db2.gz YOOGHFNVXBXBOQ-UHFFFAOYSA-N -1 3 285.265 3.219 20 0 CGADHM C[C@@H]1CCN(C(=O)[C@]23C[C@H]2CCC3)c2c([O-])cccc21 ZINC000421860752 371682676 /nfs/dbraw/zinc/68/26/76/371682676.db2.gz GWTMEZCQXMEUAO-PSTGCABASA-N -1 3 271.360 3.423 20 0 CGADHM COc1cc(C(=O)NCCCC2CCCCC2)ccc1[O-] ZINC000353319894 220025394 /nfs/dbraw/zinc/02/53/94/220025394.db2.gz GXVHPVRLNRNKJA-UHFFFAOYSA-N -1 3 291.391 3.491 20 0 CGADHM O=C(Nc1ccc(Cl)cc1[O-])[C@H]1CC=CCC1 ZINC000153429411 371766817 /nfs/dbraw/zinc/76/68/17/371766817.db2.gz KDTUPEPHBOHYPE-VIFPVBQESA-N -1 3 251.713 3.340 20 0 CGADHM CCc1ncsc1NC(=O)c1cccc(CC)c1[O-] ZINC000154025250 371810871 /nfs/dbraw/zinc/81/08/71/371810871.db2.gz RODJIKZPADELFI-UHFFFAOYSA-N -1 3 276.361 3.226 20 0 CGADHM CC(C)c1scnc1NC([O-])=NOC/C=C/Cl ZINC000289886394 371846589 /nfs/dbraw/zinc/84/65/89/371846589.db2.gz SICNHWQBDIAADD-ONEGZZNKSA-N -1 3 275.761 3.072 20 0 CGADHM CC(C)c1scnc1NC(=O)[N-]OC/C=C/Cl ZINC000289886394 371846593 /nfs/dbraw/zinc/84/65/93/371846593.db2.gz SICNHWQBDIAADD-ONEGZZNKSA-N -1 3 275.761 3.072 20 0 CGADHM CCCCn1ncc(C(=O)Nc2ccc(C)cc2[O-])c1C ZINC000154639795 371863454 /nfs/dbraw/zinc/86/34/54/371863454.db2.gz IAOOWODBUYCZHD-UHFFFAOYSA-N -1 3 287.363 3.258 20 0 CGADHM O=C([O-])C[C@H](NCc1ccc(F)c(F)c1)c1cccs1 ZINC000037087880 541861262 /nfs/dbraw/zinc/86/12/62/541861262.db2.gz CTZFDAPTAATPDZ-LBPRGKRZSA-N -1 3 297.326 3.332 20 0 CGADHM CC1(C(=O)Nc2cc(F)ccc2[O-])CCCCC1 ZINC000156888653 371999015 /nfs/dbraw/zinc/99/90/15/371999015.db2.gz BNXFZBAUAMHNSQ-UHFFFAOYSA-N -1 3 251.301 3.440 20 0 CGADHM C[C@H]1CCN(C(=O)c2cc([O-])ccc2Cl)CCS1 ZINC000290501159 372003792 /nfs/dbraw/zinc/00/37/92/372003792.db2.gz SMXGPXFHAVWVBG-VIFPVBQESA-N -1 3 285.796 3.013 20 0 CGADHM Cc1cccc([O-])c1NC(=O)c1noc2c1CCCCC2 ZINC000157215513 372012560 /nfs/dbraw/zinc/01/25/60/372012560.db2.gz KJLUQQVDFZMZJA-UHFFFAOYSA-N -1 3 286.331 3.210 20 0 CGADHM COc1ncc(C)cc1NC(=O)c1cc([O-])ccc1Cl ZINC000344242178 217115139 /nfs/dbraw/zinc/11/51/39/217115139.db2.gz UTBZYLABWXPNBO-UHFFFAOYSA-N -1 3 292.722 3.010 20 0 CGADHM CCc1c(C(=O)N2CC[C@H](C)c3cccc([O-])c32)ccn1C ZINC000291708322 372173046 /nfs/dbraw/zinc/17/30/46/372173046.db2.gz PQUOCHRGBDWTRJ-LBPRGKRZSA-N -1 3 298.386 3.447 20 0 CGADHM CC(C)(C)Oc1ccccc1NC([O-])=NOCC1CC1 ZINC000293188276 372322018 /nfs/dbraw/zinc/32/20/18/372322018.db2.gz FBWGRIWVSZKNRU-UHFFFAOYSA-N -1 3 278.352 3.327 20 0 CGADHM CC(C)(C)Oc1ccccc1NC(=O)[N-]OCC1CC1 ZINC000293188276 372322028 /nfs/dbraw/zinc/32/20/28/372322028.db2.gz FBWGRIWVSZKNRU-UHFFFAOYSA-N -1 3 278.352 3.327 20 0 CGADHM CCc1cc(=O)[n-]c(CN2CC[C@H](c3ccccc3C)C2)n1 ZINC000344340072 217158155 /nfs/dbraw/zinc/15/81/55/217158155.db2.gz AOODGJRONCSADR-AWEZNQCLSA-N -1 3 297.402 3.043 20 0 CGADHM Cc1ccc([O-])c(-c2nc(CCC3CCOCC3)no2)c1 ZINC000293238457 372332896 /nfs/dbraw/zinc/33/28/96/372332896.db2.gz RYJJWJGHCUHSAR-UHFFFAOYSA-N -1 3 288.347 3.110 20 0 CGADHM CC(C)[C@H]1C[C@H](NCc2cccc([O-])c2Cl)CCO1 ZINC000293334217 372357602 /nfs/dbraw/zinc/35/76/02/372357602.db2.gz RVAZSHCFTHIVON-TZMCWYRMSA-N -1 3 283.799 3.339 20 0 CGADHM COCCCc1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000293455063 372386284 /nfs/dbraw/zinc/38/62/84/372386284.db2.gz QDDSUZUANSUZGI-UHFFFAOYSA-N -1 3 284.315 3.174 20 0 CGADHM Cc1noc(C)c1[C@@H](C)CNCc1c(F)ccc([O-])c1F ZINC000293484646 372393864 /nfs/dbraw/zinc/39/38/64/372393864.db2.gz ADPMEKMGUSTDCF-QMMMGPOBSA-N -1 3 296.317 3.169 20 0 CGADHM C/C(=C/c1ccc(F)cc1)C(=O)[N-]OCCC(F)(F)F ZINC000162592325 372406142 /nfs/dbraw/zinc/40/61/42/372406142.db2.gz FBGWHYZTTATRQO-HJWRWDBZSA-N -1 3 291.244 3.229 20 0 CGADHM Cc1ccsc1[C@@H]1C[C@H]1C(=O)[N-]OCCC(F)(F)F ZINC000162635352 372407147 /nfs/dbraw/zinc/40/71/47/372407147.db2.gz GWXAWYDKTXQHLL-RKDXNWHRSA-N -1 3 293.310 3.160 20 0 CGADHM Cc1ccc(C(=O)N2CC3(CCC3)[C@H]2C(C)C)c([O-])c1 ZINC000293624301 372427122 /nfs/dbraw/zinc/42/71/22/372427122.db2.gz JHYNTUTZLVFFCS-OAHLLOKOSA-N -1 3 273.376 3.351 20 0 CGADHM C[C@@H](CC(=O)[N-]OCCC(F)(F)F)c1ccc(F)cc1 ZINC000162859064 372429686 /nfs/dbraw/zinc/42/96/86/372429686.db2.gz PFFWEVLOVGRGPS-VIFPVBQESA-N -1 3 293.260 3.320 20 0 CGADHM O=C(CCCc1ccccc1Cl)[N-]OCC1CC1 ZINC000293707463 372456816 /nfs/dbraw/zinc/45/68/16/372456816.db2.gz FDGRZJDDNNLVPZ-UHFFFAOYSA-N -1 3 267.756 3.121 20 0 CGADHM COc1cc(CNCc2c(F)ccc([O-])c2F)ccc1C ZINC000293804994 372487770 /nfs/dbraw/zinc/48/77/70/372487770.db2.gz CEJRDNABTAVCJU-UHFFFAOYSA-N -1 3 293.313 3.277 20 0 CGADHM [O-]c1cccc(CNCC[C@@H](O)c2ccccc2)c1Cl ZINC000293924715 372527317 /nfs/dbraw/zinc/52/73/17/372527317.db2.gz MYFHBFLVJYKEJA-CQSZACIVSA-N -1 3 291.778 3.259 20 0 CGADHM [O-]c1cccc(CN2CCOC[C@@H](C3CCC3)C2)c1Cl ZINC000294037734 372562923 /nfs/dbraw/zinc/56/29/23/372562923.db2.gz WENPVDAQCYKQEK-AWEZNQCLSA-N -1 3 295.810 3.294 20 0 CGADHM CC(C)c1ccc(C(=O)N2CCC[C@@H]2CF)c([O-])c1 ZINC000294056850 372568247 /nfs/dbraw/zinc/56/82/47/372568247.db2.gz LSGCLFUCOQXETQ-GFCCVEGCSA-N -1 3 265.328 3.090 20 0 CGADHM Cc1ccc(NC(=O)[C@@H](c2cccnc2)C(C)C)c([O-])c1 ZINC000435394748 372759135 /nfs/dbraw/zinc/75/91/35/372759135.db2.gz LFARMNJIFSWJLS-MRXNPFEDSA-N -1 3 284.359 3.474 20 0 CGADHM CC(C)O[N-]C(=O)[C@@H]1C[C@@H]1c1cccc2ccccc21 ZINC000295556933 372825257 /nfs/dbraw/zinc/82/52/57/372825257.db2.gz MKRYFBNIKLPGFI-HZPDHXFCSA-N -1 3 269.344 3.400 20 0 CGADHM COc1cccc([C@H](C)CCCC(=O)[N-]OC(C)C)c1 ZINC000295503965 372805918 /nfs/dbraw/zinc/80/59/18/372805918.db2.gz GWSJWNJYCYMBFQ-CYBMUJFWSA-N -1 3 279.380 3.425 20 0 CGADHM CCc1cc(C(=O)NCCCC(C)(F)F)ccc1[O-] ZINC000295533873 372816759 /nfs/dbraw/zinc/81/67/59/372816759.db2.gz BZTBSPJDGQMTRA-UHFFFAOYSA-N -1 3 271.307 3.120 20 0 CGADHM Cc1cc(C(=O)N2C[C@H](C)[C@H]3CCCC[C@@H]32)ccc1[O-] ZINC000436740842 372840844 /nfs/dbraw/zinc/84/08/44/372840844.db2.gz RPFAFTDBOYLSPT-CFVMTHIKSA-N -1 3 273.376 3.351 20 0 CGADHM O=C(Nc1cccc([O-])c1F)[C@@H]1CCC(=O)c2ccccc21 ZINC000334361941 284352279 /nfs/dbraw/zinc/35/22/79/284352279.db2.gz JQWCSOSGXFZWHB-GFCCVEGCSA-N -1 3 299.301 3.230 20 0 CGADHM Cc1cccc(C(=O)N2Cc3ccccc3C[C@H]2C)c1[O-] ZINC000172783014 373034156 /nfs/dbraw/zinc/03/41/56/373034156.db2.gz GSXUXXPLRROYGD-CYBMUJFWSA-N -1 3 281.355 3.288 20 0 CGADHM O=C(Nc1ccccc1[O-])C1(Oc2ccccc2F)CC1 ZINC000442286234 373048647 /nfs/dbraw/zinc/04/86/47/373048647.db2.gz AYUFPONVBAJTRA-UHFFFAOYSA-N -1 3 287.290 3.081 20 0 CGADHM Cc1nc(-c2cccc(NC([O-])=NOC(C)C)c2)oc1C ZINC000296501665 373157490 /nfs/dbraw/zinc/15/74/90/373157490.db2.gz OBUGZJXZXBBOEO-UHFFFAOYSA-N -1 3 289.335 3.420 20 0 CGADHM Cc1nc(-c2cccc(NC(=O)[N-]OC(C)C)c2)oc1C ZINC000296501665 373157494 /nfs/dbraw/zinc/15/74/94/373157494.db2.gz OBUGZJXZXBBOEO-UHFFFAOYSA-N -1 3 289.335 3.420 20 0 CGADHM CC(C)ON=C([O-])Nc1ccccc1OC(C)(C)C ZINC000296530506 373165686 /nfs/dbraw/zinc/16/56/86/373165686.db2.gz DNJZGZSHIOYRQC-UHFFFAOYSA-N -1 3 266.341 3.325 20 0 CGADHM CC(C)O[N-]C(=O)Nc1ccccc1OC(C)(C)C ZINC000296530506 373165692 /nfs/dbraw/zinc/16/56/92/373165692.db2.gz DNJZGZSHIOYRQC-UHFFFAOYSA-N -1 3 266.341 3.325 20 0 CGADHM CC1(C)C[C@@H]1C(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000442945520 373131150 /nfs/dbraw/zinc/13/11/50/373131150.db2.gz PVZVZVVEFBKZQP-MRVPVSSYSA-N -1 3 289.253 3.275 20 0 CGADHM CC(C)ON=C([O-])Nc1ccccc1OC1CCCC1 ZINC000296649111 373205808 /nfs/dbraw/zinc/20/58/08/373205808.db2.gz NGHZFQBOTPDMLB-UHFFFAOYSA-N -1 3 278.352 3.470 20 0 CGADHM CC(C)O[N-]C(=O)Nc1ccccc1OC1CCCC1 ZINC000296649111 373205823 /nfs/dbraw/zinc/20/58/23/373205823.db2.gz NGHZFQBOTPDMLB-UHFFFAOYSA-N -1 3 278.352 3.470 20 0 CGADHM Cc1cccc(C(=O)N(Cc2ccco2)C(C)C)c1[O-] ZINC000298345483 373297341 /nfs/dbraw/zinc/29/73/41/373297341.db2.gz DLAWEMHATCQHIF-UHFFFAOYSA-N -1 3 273.332 3.344 20 0 CGADHM COc1ccc(C(=O)N(Cc2ccco2)C(C)C)c([O-])c1 ZINC000298349787 373299489 /nfs/dbraw/zinc/29/94/89/373299489.db2.gz FGJNACVCINFAQL-UHFFFAOYSA-N -1 3 289.331 3.045 20 0 CGADHM COc1cccc(Cl)c1C(=O)Nc1nc(C)ccc1[O-] ZINC000447636570 373468219 /nfs/dbraw/zinc/46/82/19/373468219.db2.gz KFIYFTNNPQRCOV-UHFFFAOYSA-N -1 3 292.722 3.010 20 0 CGADHM CCSCC[C@H](C)N(C)C(=O)c1cccc(OC)c1[O-] ZINC000175461927 373471071 /nfs/dbraw/zinc/47/10/71/373471071.db2.gz MWGXXKRAQKRYKY-NSHDSACASA-N -1 3 297.420 3.005 20 0 CGADHM CN(CC1CCCC1)C(=O)c1c[n-]c2ccccc2c1=O ZINC000299419303 373535770 /nfs/dbraw/zinc/53/57/70/373535770.db2.gz WECCHLWJIAILMX-UHFFFAOYSA-N -1 3 284.359 3.203 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCCC3(CCCC3)C2)n1 ZINC000447879384 373514690 /nfs/dbraw/zinc/51/46/90/373514690.db2.gz QDQVMQQXUQWRBT-CYBMUJFWSA-N -1 3 275.396 3.208 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)CC[C@@H]2CCOC2)c1[O-] ZINC000176160157 373561337 /nfs/dbraw/zinc/56/13/37/373561337.db2.gz HCLWGXSLVDIKNX-SNVBAGLBSA-N -1 3 283.755 3.109 20 0 CGADHM Cc1nc2cc(NC(=O)c3cccc([O-])c3)ccc2o1 ZINC000177131932 373658402 /nfs/dbraw/zinc/65/84/02/373658402.db2.gz FWDOMJYQXLSKBL-UHFFFAOYSA-N -1 3 268.272 3.094 20 0 CGADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H]3CC[C@H](C)C3)nc2)n1 ZINC000302518563 373887959 /nfs/dbraw/zinc/88/79/59/373887959.db2.gz HXALOJCUWGYTLY-FZMZJTMJSA-N -1 3 298.390 3.407 20 0 CGADHM Cc1cccc(O[C@H](C)C(=O)Nc2c(C)cccc2[O-])c1 ZINC000179558972 373888840 /nfs/dbraw/zinc/88/88/40/373888840.db2.gz OIFPWMFILISXSA-CYBMUJFWSA-N -1 3 285.343 3.415 20 0 CGADHM O=C(/C=C/c1cncc([O-])c1)N1CCC[C@@H]1c1ccccc1 ZINC000179403112 373870393 /nfs/dbraw/zinc/87/03/93/373870393.db2.gz WQWINVYLSSQDHK-KBOKABMXSA-N -1 3 294.354 3.164 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-]c2cccc(C)c2F)cc1F ZINC000180016206 373955161 /nfs/dbraw/zinc/95/51/61/373955161.db2.gz YQMXIGISNFWRJB-UHFFFAOYSA-N -1 3 297.326 3.382 20 0 CGADHM CC(C)[C@@H]1CCCCN1C(=O)Cc1ccc([O-])c(F)c1 ZINC000449924120 373972892 /nfs/dbraw/zinc/97/28/92/373972892.db2.gz HFBVKYOREYRZFQ-AWEZNQCLSA-N -1 3 279.355 3.111 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CCC[C@H]2c2cccn2C)c1 ZINC000180351931 373992958 /nfs/dbraw/zinc/99/29/58/373992958.db2.gz MBDNJZCTQCEPGG-INIZCTEOSA-N -1 3 298.386 3.270 20 0 CGADHM Cc1ccc(NC(=O)c2cc(=O)[nH]c(C(C)C)c2)c([O-])c1 ZINC000180713324 374039367 /nfs/dbraw/zinc/03/93/67/374039367.db2.gz DCTOFGHTUSAXSY-UHFFFAOYSA-N -1 3 286.331 3.177 20 0 CGADHM CC(C)CCSCC(=O)Nc1ccc([O-])cc1F ZINC000180853795 374052214 /nfs/dbraw/zinc/05/22/14/374052214.db2.gz FHGRABLJGZHNAL-UHFFFAOYSA-N -1 3 271.357 3.249 20 0 CGADHM Cc1ccc(CC(=O)Nc2ccc([O-])cc2F)s1 ZINC000180857670 374053403 /nfs/dbraw/zinc/05/34/03/374053403.db2.gz VESKHWXVEAEQNM-UHFFFAOYSA-N -1 3 265.309 3.082 20 0 CGADHM CC(C)(C(=O)Nc1ncccc1[O-])c1ccc(Cl)cc1 ZINC000180990535 374066429 /nfs/dbraw/zinc/06/64/29/374066429.db2.gz FWIMRUKBHFSVQR-UHFFFAOYSA-N -1 3 290.750 3.357 20 0 CGADHM CC(C)[C@@H](C(=O)Nc1ncccc1[O-])c1ccccc1 ZINC000180998829 374067551 /nfs/dbraw/zinc/06/75/51/374067551.db2.gz IPQDEDXJAPDFPO-CQSZACIVSA-N -1 3 270.332 3.166 20 0 CGADHM C[C@H](CC(=O)Nc1nnc(-c2ccco2)[n-]1)c1ccccc1 ZINC000073972953 541902933 /nfs/dbraw/zinc/90/29/33/541902933.db2.gz ALPQZZBNGQOIRF-LLVKDONJSA-N -1 3 296.330 3.197 20 0 CGADHM C[C@H](CC(=O)Nc1nc(-c2ccco2)n[n-]1)c1ccccc1 ZINC000073972953 541902934 /nfs/dbraw/zinc/90/29/34/541902934.db2.gz ALPQZZBNGQOIRF-LLVKDONJSA-N -1 3 296.330 3.197 20 0 CGADHM C[C@H](CC(=O)Nc1n[n-]c(-c2ccco2)n1)c1ccccc1 ZINC000073972953 541902940 /nfs/dbraw/zinc/90/29/40/541902940.db2.gz ALPQZZBNGQOIRF-LLVKDONJSA-N -1 3 296.330 3.197 20 0 CGADHM Cc1ccccc1C1(CNC(=O)c2cccc([O-])c2)CC1 ZINC000182297003 374254253 /nfs/dbraw/zinc/25/42/53/374254253.db2.gz VEELKTXDANLLPQ-UHFFFAOYSA-N -1 3 281.355 3.162 20 0 CGADHM Cc1c2ccccc2oc1CNC(=O)c1cccc([O-])c1 ZINC000182451633 374275033 /nfs/dbraw/zinc/27/50/33/374275033.db2.gz MSZFRXDPOOXUKC-UHFFFAOYSA-N -1 3 281.311 3.377 20 0 CGADHM CCCC[C@@H](NC(=O)c1cccc([O-])c1)C1CCC1 ZINC000182594317 374295444 /nfs/dbraw/zinc/29/54/44/374295444.db2.gz XOONBSGYOQFXPG-OAHLLOKOSA-N -1 3 261.365 3.481 20 0 CGADHM CCc1noc(C)c1[N-]C(=O)c1sccc1COC ZINC000182678590 374311353 /nfs/dbraw/zinc/31/13/53/374311353.db2.gz BMUMCTGAIIRKLP-UHFFFAOYSA-N -1 3 280.349 3.006 20 0 CGADHM CCC1(CC)[C@H](OC)C[C@@H]1N(C)C(=O)c1cccc([O-])c1 ZINC000182825096 374331968 /nfs/dbraw/zinc/33/19/68/374331968.db2.gz BGRANKZATNSQMT-LSDHHAIUSA-N -1 3 291.391 3.058 20 0 CGADHM Cc1cccc([O-])c1NC(=O)CCOc1ccc(F)cc1 ZINC000183064979 374366304 /nfs/dbraw/zinc/36/63/04/374366304.db2.gz OHJDPSZQGZCDRV-UHFFFAOYSA-N -1 3 289.306 3.247 20 0 CGADHM C[C@@H](NC(=O)c1cccc([O-])c1)c1cccc(F)c1F ZINC000182965436 374349952 /nfs/dbraw/zinc/34/99/52/374349952.db2.gz WCUYAXDYANDTAL-SECBINFHSA-N -1 3 277.270 3.161 20 0 CGADHM Cc1ccc(CN2CCC[C@@H](CCC(=O)[O-])C2)cc1F ZINC000086809713 541940766 /nfs/dbraw/zinc/94/07/66/541940766.db2.gz GDEUMWFHNIDRCM-ZDUSSCGKSA-N -1 3 279.355 3.211 20 0 CGADHM CCC(CC)CN1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000087616265 541944877 /nfs/dbraw/zinc/94/48/77/541944877.db2.gz KLEBXOPFCCDVLK-HNNXBMFYSA-N -1 3 261.365 3.107 20 0 CGADHM C[C@H]1CC[C@@H](C(=O)Nc2ccc(C(C)(C)C)cc2[O-])O1 ZINC000330404384 374458968 /nfs/dbraw/zinc/45/89/68/374458968.db2.gz MNYGZRJCDQHXBH-HZMBPMFUSA-N -1 3 277.364 3.196 20 0 CGADHM CC[C@@H](OC)C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000330394562 374459288 /nfs/dbraw/zinc/45/92/88/374459288.db2.gz JDIGGDOISYCHFP-CYBMUJFWSA-N -1 3 265.353 3.053 20 0 CGADHM CCOc1ccccc1C[S@](=O)c1cccc([O-])c1 ZINC000184077909 374489727 /nfs/dbraw/zinc/48/97/27/374489727.db2.gz FLEBEURKDSIFHH-IBGZPJMESA-N -1 3 276.357 3.099 20 0 CGADHM Cc1ccc(C(=O)N2C[C@H](C(C)C)[C@@H]2C(C)C)c([O-])c1 ZINC000456358148 374524311 /nfs/dbraw/zinc/52/43/11/374524311.db2.gz YGUDTCLHNGLBRR-ZBFHGGJFSA-N -1 3 275.392 3.453 20 0 CGADHM [O-]c1cc(F)cc(CNCc2ccccc2-n2cccn2)c1 ZINC000184140942 374497235 /nfs/dbraw/zinc/49/72/35/374497235.db2.gz ABZBCXPBLDBVEE-UHFFFAOYSA-N -1 3 297.333 3.007 20 0 CGADHM [O-]c1cc(F)cc(CNCc2cccc(Cl)c2)c1 ZINC000184142179 374497406 /nfs/dbraw/zinc/49/74/06/374497406.db2.gz QYKZCXWKTSQHBP-UHFFFAOYSA-N -1 3 265.715 3.475 20 0 CGADHM Cc1cc(C(=O)NC2CCc3ccccc3CC2)ccc1[O-] ZINC000456448910 374545099 /nfs/dbraw/zinc/54/50/99/374545099.db2.gz CRTRIVGCFJPCPV-UHFFFAOYSA-N -1 3 295.382 3.378 20 0 CGADHM CC(=O)c1ccc(C(=O)N2CC[C@@H](CC(C)C)C2)cc1[O-] ZINC000331360075 374526594 /nfs/dbraw/zinc/52/65/94/374526594.db2.gz XJOMMXIZNPQJGU-ZDUSSCGKSA-N -1 3 289.375 3.103 20 0 CGADHM CCc1csc([N-]C(=O)c2c(F)cc(F)cc2F)n1 ZINC000334380880 374699658 /nfs/dbraw/zinc/69/96/58/374699658.db2.gz IXNUIHNLOUZLGA-UHFFFAOYSA-N -1 3 286.278 3.375 20 0 CGADHM O=C(Nc1ccc([O-])cc1F)c1ccoc1C1CC1 ZINC000334350008 374674545 /nfs/dbraw/zinc/67/45/45/374674545.db2.gz FHMUWYVICNWBCP-UHFFFAOYSA-N -1 3 261.252 3.254 20 0 CGADHM CC[C@@](C)(NCc1cc([O-])cc(F)c1)c1nccs1 ZINC000185548372 374686480 /nfs/dbraw/zinc/68/64/80/374686480.db2.gz YAGUCSUDRUVCPU-CQSZACIVSA-N -1 3 280.368 3.403 20 0 CGADHM O=C(Nc1cccc([O-])c1F)[C@H]1CCCC(F)(F)C1 ZINC000334424660 374738620 /nfs/dbraw/zinc/73/86/20/374738620.db2.gz WOHVVOMXPCALGB-QMMMGPOBSA-N -1 3 273.254 3.295 20 0 CGADHM Cn1ccc(C(=O)Nc2ccccc2[O-])c1C1CCC1 ZINC000334429810 374743094 /nfs/dbraw/zinc/74/30/94/374743094.db2.gz ZIOCQVBWAUEXIQ-UHFFFAOYSA-N -1 3 270.332 3.251 20 0 CGADHM COc1ccc(CN(C)Cc2cc([O-])cc(F)c2)cc1C ZINC000186205512 374814684 /nfs/dbraw/zinc/81/46/84/374814684.db2.gz MIZRYSKZLRRIHP-UHFFFAOYSA-N -1 3 289.350 3.480 20 0 CGADHM CCC[C@H](NC(=O)c1cccc([O-])c1)C1CCCC1 ZINC000458336863 374772044 /nfs/dbraw/zinc/77/20/44/374772044.db2.gz KOIYSWLMLQGFBO-HNNXBMFYSA-N -1 3 261.365 3.481 20 0 CGADHM [O-]c1cc(F)cc(CN2CCc3cc(F)ccc3C2)c1 ZINC000186405096 374845226 /nfs/dbraw/zinc/84/52/26/374845226.db2.gz LISQPTQGUWOXCB-UHFFFAOYSA-N -1 3 275.298 3.229 20 0 CGADHM CC(C)CN(Cc1ccccc1)C(=O)c1csc(=O)[n-]1 ZINC000471968411 375010069 /nfs/dbraw/zinc/01/00/69/375010069.db2.gz VVKBNFFUDZLIJV-UHFFFAOYSA-N -1 3 290.388 3.147 20 0 CGADHM O=C(C[C@@H]1C=CCCC1)N1CCCc2cccc([O-])c21 ZINC000187452324 375023504 /nfs/dbraw/zinc/02/35/04/375023504.db2.gz XHDJQDLRPDZHEO-CYBMUJFWSA-N -1 3 271.360 3.418 20 0 CGADHM O=C(NC1(Cc2cccc(F)c2)CCC1)c1cccc([O-])c1 ZINC000187550579 375038272 /nfs/dbraw/zinc/03/82/72/375038272.db2.gz AQPGRYRUCINRPI-UHFFFAOYSA-N -1 3 299.345 3.427 20 0 CGADHM CC[C@H](Sc1ncc(C(=O)OC)[n-]1)c1ccccc1 ZINC000187595868 375052116 /nfs/dbraw/zinc/05/21/16/375052116.db2.gz ULJUKBQWOKOHIM-LBPRGKRZSA-N -1 3 276.361 3.440 20 0 CGADHM CCc1ccc(C(=O)N(C)Cc2ccccc2)c([O-])c1 ZINC000188392492 375208961 /nfs/dbraw/zinc/20/89/61/375208961.db2.gz NCUHRLSBMGXGTE-UHFFFAOYSA-N -1 3 269.344 3.227 20 0 CGADHM CCc1cc(C(=O)Nc2n[nH]c3cc(F)ccc32)ccc1[O-] ZINC000487303988 375222686 /nfs/dbraw/zinc/22/26/86/375222686.db2.gz ASVBNSRAKMJBBY-UHFFFAOYSA-N -1 3 299.305 3.222 20 0 CGADHM O=C(NC(C1CC1)C1CC1)c1cc([O-])ccc1C(F)(F)F ZINC000188526207 375226884 /nfs/dbraw/zinc/22/68/84/375226884.db2.gz HTYJHJKNTLRTQN-UHFFFAOYSA-N -1 3 299.292 3.329 20 0 CGADHM [O-]c1cccc(CN2CCC[C@@H]2[C@H]2CCCOC2)c1Cl ZINC000335425282 375284052 /nfs/dbraw/zinc/28/40/52/375284052.db2.gz QZYYAWQDRCTPME-UONOGXRCSA-N -1 3 295.810 3.437 20 0 CGADHM O=C(NC1CCCC1)c1cc([O-])ccc1C(F)(F)F ZINC000188868356 375284625 /nfs/dbraw/zinc/28/46/25/375284625.db2.gz UQVXLGHGKPJRSI-UHFFFAOYSA-N -1 3 273.254 3.083 20 0 CGADHM Cc1cccc([C@@H]2CCCN2C(=O)c2cccc([O-])c2)n1 ZINC000335747433 375396896 /nfs/dbraw/zinc/39/68/96/375396896.db2.gz AWSFDEJEGYEFRO-INIZCTEOSA-N -1 3 282.343 3.073 20 0 CGADHM Cc1ocnc1C(=O)[N-]c1cc(Cl)cc(F)c1F ZINC000335702729 375358762 /nfs/dbraw/zinc/35/87/62/375358762.db2.gz DJAVIINGFMEGAA-UHFFFAOYSA-N -1 3 272.638 3.167 20 0 CGADHM CC1(C)CN(C(=O)c2csc(=O)[n-]2)[C@H]1c1cccs1 ZINC000335820827 375458315 /nfs/dbraw/zinc/45/83/15/375458315.db2.gz SGTZJVZGQYYPTB-JTQLQIEISA-N -1 3 294.401 3.134 20 0 CGADHM CCN(C(=O)c1ccc([O-])c(C)c1)c1nc(C)cs1 ZINC000335831656 375466050 /nfs/dbraw/zinc/46/60/50/375466050.db2.gz CGCDHQMKWIMLHL-UHFFFAOYSA-N -1 3 276.361 3.132 20 0 CGADHM CCc1ccc(C(=O)NCCC[C@H]2CCCCO2)c([O-])c1 ZINC000189730015 375439888 /nfs/dbraw/zinc/43/98/88/375439888.db2.gz NRRZLMBOLMRQGJ-CQSZACIVSA-N -1 3 291.391 3.034 20 0 CGADHM CCCCOc1ccc(C(=O)N(C)CCC2CC2)c([O-])c1 ZINC000190799319 375540628 /nfs/dbraw/zinc/54/06/28/375540628.db2.gz BPJPOVJWEJTVMO-UHFFFAOYSA-N -1 3 291.391 3.443 20 0 CGADHM COc1ccc2nc(-c3cc(C)cc(F)c3)[n-]c(=O)c2c1 ZINC000119051217 542005012 /nfs/dbraw/zinc/00/50/12/542005012.db2.gz HCJRKZPUGNZFPN-UHFFFAOYSA-N -1 3 284.290 3.046 20 0 CGADHM CCCC[C@H](C)C(=O)Nc1n[n-]c(-c2ccccc2F)n1 ZINC000507029949 375669470 /nfs/dbraw/zinc/66/94/70/375669470.db2.gz MAJUGROFKPSCFK-JTQLQIEISA-N -1 3 290.342 3.376 20 0 CGADHM O=C(Nc1ccccc1[O-])c1c(F)c(F)cc(F)c1F ZINC000336165504 375742387 /nfs/dbraw/zinc/74/23/87/375742387.db2.gz ZDWWPVJAKCCVPZ-UHFFFAOYSA-N -1 3 285.196 3.201 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)[C@@H]2CC23CCCC3)c1-c1ccccc1 ZINC000336180788 375753054 /nfs/dbraw/zinc/75/30/54/375753054.db2.gz FZEKOYFIDQZTIV-AWEZNQCLSA-N -1 3 295.386 3.326 20 0 CGADHM CC[C@@H]1C[C@@H](C)CN1C(=O)Cc1ccc([O-])cc1Cl ZINC000509127430 375772327 /nfs/dbraw/zinc/77/23/27/375772327.db2.gz WGNNALPCNQMWAH-ZYHUDNBSSA-N -1 3 281.783 3.235 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)N[C@H](C)c2cccc(F)c2F)n1 ZINC000192764652 375786185 /nfs/dbraw/zinc/78/61/85/375786185.db2.gz KFFSBMHWFKQAIR-NXEZZACHSA-N -1 3 293.317 3.181 20 0 CGADHM Cc1ccc([C@@H](C)N(C)C(=O)c2ccc(O)cc2[O-])cc1 ZINC000193291771 375854774 /nfs/dbraw/zinc/85/47/74/375854774.db2.gz YSTKEHDMJTXTPS-GFCCVEGCSA-N -1 3 285.343 3.239 20 0 CGADHM O=C([O-])[C@@H]1C=C[C@@H](NCc2ccc(Cl)c(Cl)c2)C1 ZINC000336790529 375940190 /nfs/dbraw/zinc/94/01/90/375940190.db2.gz LNZQPGOBUPRIFD-NXEZZACHSA-N -1 3 286.158 3.112 20 0 CGADHM COc1ccc([C@H](NC(=O)c2cccc([O-])c2)C2CC2)cc1 ZINC000193924203 375940420 /nfs/dbraw/zinc/94/04/20/375940420.db2.gz MQLWPNMOQKBWJT-QGZVFWFLSA-N -1 3 297.354 3.282 20 0 CGADHM Cc1ccc([O-])c(C(=O)NC2(c3ccccc3)CC2)c1 ZINC000536686746 376120792 /nfs/dbraw/zinc/12/07/92/376120792.db2.gz PMYMQANDFRZWRJ-UHFFFAOYSA-N -1 3 267.328 3.120 20 0 CGADHM O=C(c1ccc2c(c1[O-])CCCC2)N1CC[C@H]2CCC[C@@H]21 ZINC000436838017 296238850 /nfs/dbraw/zinc/23/88/50/296238850.db2.gz POLBRNMRUKGQAV-CJNGLKHVSA-N -1 3 285.387 3.286 20 0 CGADHM CCc1cccc(C(=O)Nc2ccc3c[nH]nc3c2)c1[O-] ZINC000536692718 376123381 /nfs/dbraw/zinc/12/33/81/376123381.db2.gz MXQFPULOGXYUQT-UHFFFAOYSA-N -1 3 281.315 3.083 20 0 CGADHM Cc1cc(C(=O)NCc2ccccc2Cl)ccc1[O-] ZINC000226714379 376369559 /nfs/dbraw/zinc/36/95/59/376369559.db2.gz QMJFJMWJFWARKD-UHFFFAOYSA-N -1 3 275.735 3.284 20 0 CGADHM Cc1nc(NC(=O)c2ccc([O-])c(C)c2)sc1C ZINC000226715001 376370405 /nfs/dbraw/zinc/37/04/05/376370405.db2.gz WZXIQNFQGRPZJL-UHFFFAOYSA-N -1 3 262.334 3.026 20 0 CGADHM COc1ccc(F)c(NC(=O)c2ccc([O-])c(C)c2)c1 ZINC000226998927 376377867 /nfs/dbraw/zinc/37/78/67/376377867.db2.gz UUDVIPSADMXWNA-UHFFFAOYSA-N -1 3 275.279 3.101 20 0 CGADHM COc1cccc(Cl)c1CNC1CCC(C(=O)[O-])CC1 ZINC000228804727 376448972 /nfs/dbraw/zinc/44/89/72/376448972.db2.gz VSZDEMWZEFQXQP-UHFFFAOYSA-N -1 3 297.782 3.082 20 0 CGADHM [O-]c1cc(F)cc(CN2CCc3cc(F)ccc32)c1 ZINC000338969177 376608539 /nfs/dbraw/zinc/60/85/39/376608539.db2.gz QQKMLZZTICHBHR-UHFFFAOYSA-N -1 3 261.271 3.233 20 0 CGADHM O=C(Nc1ccccc1F)c1cc([O-])ccc1Cl ZINC000236559038 376667356 /nfs/dbraw/zinc/66/73/56/376667356.db2.gz SOQGAVZONTXLHP-UHFFFAOYSA-N -1 3 265.671 3.437 20 0 CGADHM Cc1cc(C(=O)N[C@H](C(C)(C)C)C(F)(F)F)ccc1[O-] ZINC000543712957 376669001 /nfs/dbraw/zinc/66/90/01/376669001.db2.gz XCPVTQFJODLZKD-GFCCVEGCSA-N -1 3 289.297 3.407 20 0 CGADHM CS[C@@H]1CCC[C@H](NC(=O)c2cc([O-])ccc2Cl)C1 ZINC000235211768 376634516 /nfs/dbraw/zinc/63/45/16/376634516.db2.gz WUNHPYGDIFERDS-GXSJLCMTSA-N -1 3 299.823 3.450 20 0 CGADHM CCc1cccc(-c2nc(-c3cccnc3OC)no2)c1[O-] ZINC000544297443 376720974 /nfs/dbraw/zinc/72/09/74/376720974.db2.gz PVGCSDOGPLGARR-UHFFFAOYSA-N -1 3 297.314 3.075 20 0 CGADHM CC[C@@H](OC1CCCC1)C(=O)Nc1ccc(OC)cc1[O-] ZINC000135416841 542088253 /nfs/dbraw/zinc/08/82/53/542088253.db2.gz XVPSVCADBPVEMA-OAHLLOKOSA-N -1 3 293.363 3.077 20 0 CGADHM CCc1cccc(-c2nc(-c3ccnc(OC)c3)no2)c1[O-] ZINC000545060594 376782175 /nfs/dbraw/zinc/78/21/75/376782175.db2.gz WPRSSHBEEKLDNX-UHFFFAOYSA-N -1 3 297.314 3.075 20 0 CGADHM O=C(CCc1ccccc1O)Nc1ccc(Cl)cc1[O-] ZINC000153686776 542113795 /nfs/dbraw/zinc/11/37/95/542113795.db2.gz RRIYQLQAJMWISS-UHFFFAOYSA-N -1 3 291.734 3.323 20 0 CGADHM O=C(CCc1ccco1)Nc1c([O-])cccc1Cl ZINC000557181261 376923233 /nfs/dbraw/zinc/92/32/33/376923233.db2.gz OQBDZDZRVHTNQP-UHFFFAOYSA-N -1 3 265.696 3.210 20 0 CGADHM C[C@H](CC(=O)N=c1cc2ccccn2[n-]1)c1ccc(F)cc1 ZINC000557537803 376941391 /nfs/dbraw/zinc/94/13/91/376941391.db2.gz GMGGKFXYOAPRJO-GFCCVEGCSA-N -1 3 297.333 3.028 20 0 CGADHM [O-]c1cccnc1C[NH2+][C@H](c1ccccc1)C1CCC1 ZINC000558401271 377002237 /nfs/dbraw/zinc/00/22/37/377002237.db2.gz ITRPCKGQMCEALY-QGZVFWFLSA-N -1 3 268.360 3.418 20 0 CGADHM [O-]c1cccnc1CN[C@H](c1ccccc1)C1CCC1 ZINC000558401271 377002243 /nfs/dbraw/zinc/00/22/43/377002243.db2.gz ITRPCKGQMCEALY-QGZVFWFLSA-N -1 3 268.360 3.418 20 0 CGADHM CO[C@@](C)(C(=O)Nc1cc(F)ccc1[O-])c1ccccc1 ZINC000340327206 377003386 /nfs/dbraw/zinc/00/33/86/377003386.db2.gz DCGVSICDXUOAOW-MRXNPFEDSA-N -1 3 289.306 3.032 20 0 CGADHM Cc1ccc(CCC(=O)Nc2cc(F)ccc2[O-])o1 ZINC000340328536 377005861 /nfs/dbraw/zinc/00/58/61/377005861.db2.gz HYYDMTHZMUFKGT-UHFFFAOYSA-N -1 3 263.268 3.004 20 0 CGADHM C[C@H](NCc1ccc(-c2ccccc2)cc1F)C(=O)[O-] ZINC000340690811 377220880 /nfs/dbraw/zinc/22/08/80/377220880.db2.gz MRJYBHBSBCMOLA-NSHDSACASA-N -1 3 273.307 3.055 20 0 CGADHM O=C([O-])C[C@@H]1CCCN(C/C=C\c2ccc(F)cc2)C1 ZINC000560927937 377200678 /nfs/dbraw/zinc/20/06/78/377200678.db2.gz SKWVEDFYQLQJIB-VXYRWZGASA-N -1 3 277.339 3.026 20 0 CGADHM CCc1cc(C(=O)N2C[C@@H](C)C[C@H](C)C2)ccc1[O-] ZINC000340910526 377316877 /nfs/dbraw/zinc/31/68/77/377316877.db2.gz DRVOSXKJTOADGV-RYUDHWBXSA-N -1 3 261.365 3.073 20 0 CGADHM C[C@@H]1C[C@H](C(=O)[O-])CN(C/C=C\c2ccc(F)c(F)c2)C1 ZINC000562954355 377376127 /nfs/dbraw/zinc/37/61/27/377376127.db2.gz FHEVWOBPNBNYQB-FIFDWTMUSA-N -1 3 295.329 3.021 20 0 CGADHM CN(Cc1cc(C(=O)[O-])co1)[C@@H]1CCc2ccccc21 ZINC000563277791 377431668 /nfs/dbraw/zinc/43/16/68/377431668.db2.gz CFJGMYGBIAGDGJ-OAHLLOKOSA-N -1 3 271.316 3.097 20 0 CGADHM CCOc1ccc(F)c([N-]C(=O)c2csnc2C)c1F ZINC000341220870 377451168 /nfs/dbraw/zinc/45/11/68/377451168.db2.gz VEEQGBSDIYXLHE-UHFFFAOYSA-N -1 3 298.314 3.381 20 0 CGADHM CC[C@H](Oc1ccccc1F)C(=O)Nc1ccccc1[O-] ZINC000175152260 249049811 /nfs/dbraw/zinc/04/98/11/249049811.db2.gz YMCMZNGVNMLJJR-AWEZNQCLSA-N -1 3 289.306 3.327 20 0 CGADHM CC1(C)CCCC[C@@H]1[N-]S(=O)(=O)c1ccccc1F ZINC000094327185 249041099 /nfs/dbraw/zinc/04/10/99/249041099.db2.gz DEGFKVUQCZOSKV-ZDUSSCGKSA-N -1 3 285.384 3.073 20 0 CGADHM C[C@@H]1C[C@@H](C)N(Cc2cccc([O-])c2Br)C1 ZINC000315258202 249098550 /nfs/dbraw/zinc/09/85/50/249098550.db2.gz LNDWWMLYUAYZFM-NXEZZACHSA-N -1 3 284.197 3.385 20 0 CGADHM [O-]c1cccc(CNCC2CCC2)c1Br ZINC000314972420 249098564 /nfs/dbraw/zinc/09/85/64/249098564.db2.gz FTYNJWZFCUAHOY-UHFFFAOYSA-N -1 3 270.170 3.044 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)c1-c1ccccc1 ZINC000515231678 249205519 /nfs/dbraw/zinc/20/55/19/249205519.db2.gz YEBQTLWDVQZZLA-RBSFLKMASA-N -1 3 295.386 3.182 20 0 CGADHM Cc1cc(C)cc(CN[C@@H](CC(=O)[O-])c2ccncc2)c1 ZINC000515433457 249212030 /nfs/dbraw/zinc/21/20/30/249212030.db2.gz XAEVONGJXCDTNP-INIZCTEOSA-N -1 3 284.359 3.004 20 0 CGADHM CCc1oc(C(=O)[O-])cc1CN1CC[C@H](C)[C@@H](C)C1 ZINC000515660123 249218088 /nfs/dbraw/zinc/21/80/88/249218088.db2.gz MYBYJUKVQJAZRS-QWRGUYRKSA-N -1 3 265.353 3.018 20 0 CGADHM CCN(C(=O)c1cc(=O)c2ccccc2[n-]1)[C@H](C)C(C)C ZINC000518393799 249280463 /nfs/dbraw/zinc/28/04/63/249280463.db2.gz JNBVVIZRFRZAHQ-GFCCVEGCSA-N -1 3 286.375 3.035 20 0 CGADHM COc1ccccc1SCc1cc(=O)[n-]c(C2CC2)n1 ZINC000517709364 249269656 /nfs/dbraw/zinc/26/96/56/249269656.db2.gz RPTKLZVYXYBYSY-UHFFFAOYSA-N -1 3 288.372 3.361 20 0 CGADHM C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1C(=O)Nc1ccc([O-])cc1Cl ZINC000252686101 377649044 /nfs/dbraw/zinc/64/90/44/377649044.db2.gz XCOSLPQBKPDTKE-YDEXJTGXSA-N -1 3 283.755 3.044 20 0 CGADHM Cc1ccccc1C[C@@H](C)N(C)Cc1ccoc1C(=O)[O-] ZINC000574815945 377712450 /nfs/dbraw/zinc/71/24/50/377712450.db2.gz CMPOVIYYRSFUTG-CYBMUJFWSA-N -1 3 287.359 3.349 20 0 CGADHM Cc1ccc(Cl)cc1NC(=O)c1cccc2nn[n-]c21 ZINC000183304206 542230462 /nfs/dbraw/zinc/23/04/62/542230462.db2.gz ZQVIDFINQONMLF-UHFFFAOYSA-N -1 3 286.722 3.172 20 0 CGADHM Cc1ccc(Cl)cc1NC(=O)c1cccc2[n-]nnc21 ZINC000183304206 542230465 /nfs/dbraw/zinc/23/04/65/542230465.db2.gz ZQVIDFINQONMLF-UHFFFAOYSA-N -1 3 286.722 3.172 20 0 CGADHM Cc1ccc(Cl)cc1NC(=O)c1cccc2n[n-]nc21 ZINC000183304206 542230466 /nfs/dbraw/zinc/23/04/66/542230466.db2.gz ZQVIDFINQONMLF-UHFFFAOYSA-N -1 3 286.722 3.172 20 0 CGADHM C[C@@H]1CC[C@@H](C(=O)[O-])CN1Cc1cnc(C(C)(C)C)s1 ZINC000263133713 377920435 /nfs/dbraw/zinc/92/04/35/377920435.db2.gz DAZCAXOZQFRLKL-GHMZBOCLSA-N -1 3 296.436 3.126 20 0 CGADHM C[C@@H](c1ccccc1Cl)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000263350755 377928079 /nfs/dbraw/zinc/92/80/79/377928079.db2.gz PRYQXUJXTNINEA-GRYCIOLGSA-N -1 3 281.783 3.444 20 0 CGADHM CC[C@H](C)[C@H](Nc1ccnc2ccccc21)C(=O)[O-] ZINC000263417696 377933781 /nfs/dbraw/zinc/93/37/81/377933781.db2.gz OMHZEGCNTANSAA-HZMBPMFUSA-N -1 3 258.321 3.146 20 0 CGADHM Cc1cccc(OCCN(C)Cc2cccc(C(=O)[O-])c2)c1 ZINC000263437606 377936400 /nfs/dbraw/zinc/93/64/00/377936400.db2.gz CVEUKCFXUXNUJC-UHFFFAOYSA-N -1 3 299.370 3.204 20 0 CGADHM CC(C)Oc1ccc2nccc(NCCCC(=O)[O-])c2c1 ZINC000263442469 377938364 /nfs/dbraw/zinc/93/83/64/377938364.db2.gz XLDZUTQKCILOIR-UHFFFAOYSA-N -1 3 288.347 3.299 20 0 CGADHM CCCN(CC(=O)[O-])Cc1cc(C(F)(F)F)ccc1F ZINC000263439738 377938440 /nfs/dbraw/zinc/93/84/40/377938440.db2.gz VZKBDUKWAGNPLU-UHFFFAOYSA-N -1 3 293.260 3.141 20 0 CGADHM C[C@]1(C(=O)[O-])CCN(Cc2cscc2C(F)(F)F)C1 ZINC000263462078 377939008 /nfs/dbraw/zinc/93/90/08/377939008.db2.gz BZJUDUXNABGESW-NSHDSACASA-N -1 3 293.310 3.064 20 0 CGADHM Cc1ccc(-c2ccc(CN(C)C[C@@H](C)C(=O)[O-])o2)cc1 ZINC000263459807 377939165 /nfs/dbraw/zinc/93/91/65/377939165.db2.gz BKWIVKQERSOSEB-CYBMUJFWSA-N -1 3 287.359 3.408 20 0 CGADHM COc1cccc2c1CC[C@H]2NCc1ccc(C(=O)[O-])cc1 ZINC000263449789 377939299 /nfs/dbraw/zinc/93/92/99/377939299.db2.gz ZEXBSXXYVOHUHL-MRXNPFEDSA-N -1 3 297.354 3.171 20 0 CGADHM CC(C)C[C@@H](CNCc1cc(Cl)ccc1F)C(=O)[O-] ZINC000263472477 377941299 /nfs/dbraw/zinc/94/12/99/377941299.db2.gz IFUHSCYSTSIXQY-NSHDSACASA-N -1 3 287.762 3.316 20 0 CGADHM CC(C)N(Cc1ccco1)Cc1cccc(C(=O)[O-])c1 ZINC000263476258 377941432 /nfs/dbraw/zinc/94/14/32/377941432.db2.gz MQRGQMMHFJHKJK-UHFFFAOYSA-N -1 3 273.332 3.388 20 0 CGADHM C[C@@H](c1ccco1)N(C)CCC(C)(C)CC(=O)[O-] ZINC000575413097 377905799 /nfs/dbraw/zinc/90/57/99/377905799.db2.gz XFCKXCDWBJMKTE-NSHDSACASA-N -1 3 253.342 3.163 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CCC[C@@H]2C(C)(C)C)c1 ZINC000264234014 377967390 /nfs/dbraw/zinc/96/73/90/377967390.db2.gz CJXAFTNEKROXLC-CQSZACIVSA-N -1 3 261.365 3.351 20 0 CGADHM C[C@H](Sc1n[n-]c(-c2ccccn2)n1)c1cccnc1 ZINC000343448903 377982831 /nfs/dbraw/zinc/98/28/31/377982831.db2.gz CTXCTRWJIAFNJS-JTQLQIEISA-N -1 3 283.360 3.115 20 0 CGADHM Cc1cc(-c2noc(-c3ccccc3[O-])n2)ccc1O ZINC000575825876 377993148 /nfs/dbraw/zinc/99/31/48/377993148.db2.gz CNTGDSXESUEIIN-UHFFFAOYSA-N -1 3 268.272 3.123 20 0 CGADHM CC(C)N(Cc1cccc(C(=O)[O-])c1Cl)C1CC1 ZINC000577857006 378018373 /nfs/dbraw/zinc/01/83/73/378018373.db2.gz MJOYQIODKMMHKY-UHFFFAOYSA-N -1 3 267.756 3.411 20 0 CGADHM Cc1ccccc1[C@H]1CN(Cc2ncccc2[O-])[C@@H](C)CO1 ZINC000575906455 377998916 /nfs/dbraw/zinc/99/89/16/377998916.db2.gz AXYWLDDWJCFHDM-KBXCAEBGSA-N -1 3 298.386 3.058 20 0 CGADHM CC1(C)CCCN([C@H](C(=O)[O-])c2ccccc2F)C1 ZINC000578199047 378046061 /nfs/dbraw/zinc/04/60/61/378046061.db2.gz SNAAUQOSPXJDDA-ZDUSSCGKSA-N -1 3 265.328 3.073 20 0 CGADHM Cc1noc(C2CC2)c1[N-]C(=O)c1c(C)nsc1C ZINC000578252572 378051947 /nfs/dbraw/zinc/05/19/47/378051947.db2.gz LLPKYUNNTVZDKK-UHFFFAOYSA-N -1 3 277.349 3.186 20 0 CGADHM CC[C@H]1Cc2ccccc2CN1Cc1ncccc1[O-] ZINC000578263630 378053375 /nfs/dbraw/zinc/05/33/75/378053375.db2.gz NXPGPQUFEKJXKE-HNNXBMFYSA-N -1 3 268.360 3.124 20 0 CGADHM O=C(Nc1ccc(F)c(C2CC2)c1)c1ccc2n[n-]nc2c1 ZINC000343901054 378129992 /nfs/dbraw/zinc/12/99/92/378129992.db2.gz DJRZKNBNOVXQDS-UHFFFAOYSA-N -1 3 296.305 3.227 20 0 CGADHM C[C@@H](NCc1nc(-c2ccccc2)cs1)[C@@H](C)C(=O)[O-] ZINC000578634952 378086933 /nfs/dbraw/zinc/08/69/33/378086933.db2.gz PFMXTMBQRJNVFL-GHMZBOCLSA-N -1 3 290.388 3.009 20 0 CGADHM Cc1ccc(C(=O)N[C@@H]2CCC[C@@H](F)C2)c([O-])c1C ZINC000579358794 378152970 /nfs/dbraw/zinc/15/29/70/378152970.db2.gz YRMBWANFKNKXCV-VXGBXAGGSA-N -1 3 265.328 3.020 20 0 CGADHM CCCCO[C@H](C)C(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000345126543 378200007 /nfs/dbraw/zinc/20/00/07/378200007.db2.gz HQIOXTDATKTHEE-QWHCGFSZSA-N -1 3 291.391 3.438 20 0 CGADHM CCC(CC)n1ccc(C[S@](=O)c2ccc([O-])cc2)n1 ZINC000269346849 378209063 /nfs/dbraw/zinc/20/90/63/378209063.db2.gz LSXRPEYDJZTQMS-FQEVSTJZSA-N -1 3 292.404 3.258 20 0 CGADHM COc1ccc(Cl)cc1CN(C)[C@H](CC(C)C)C(=O)[O-] ZINC000580897267 378266630 /nfs/dbraw/zinc/26/66/30/378266630.db2.gz IURLCVWHYKWUNB-CYBMUJFWSA-N -1 3 299.798 3.280 20 0 CGADHM CC(C)[C@@H](NCc1cc([O-])cc(F)c1)C(F)(F)F ZINC000345440216 378284540 /nfs/dbraw/zinc/28/45/40/378284540.db2.gz PKLYBMKSFLVRLF-LLVKDONJSA-N -1 3 265.250 3.208 20 0 CGADHM CCN(Cc1cccs1)[C@H](CC(C)C)C(=O)[O-] ZINC000580206077 378231496 /nfs/dbraw/zinc/23/14/96/378231496.db2.gz OHIQYIMCHJAOAF-GFCCVEGCSA-N -1 3 255.383 3.069 20 0 CGADHM O=C(NC1(C2CCC2)CCC1)c1cc([O-])ccc1Cl ZINC000334498402 206610230 /nfs/dbraw/zinc/61/02/30/206610230.db2.gz OCTLRVZVBUGGOY-UHFFFAOYSA-N -1 3 279.767 3.498 20 0 CGADHM CN(Cc1ccc(C(=O)[O-])c(Cl)c1)C[C@H]1CCCCO1 ZINC000582246684 378298043 /nfs/dbraw/zinc/29/80/43/378298043.db2.gz MPXDRMVAVUOWSS-GFCCVEGCSA-N -1 3 297.782 3.039 20 0 CGADHM Cc1ccncc1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000345545170 378308142 /nfs/dbraw/zinc/30/81/42/378308142.db2.gz LOYIVOQHPHPYIQ-UHFFFAOYSA-N -1 3 288.322 3.196 20 0 CGADHM [O-]c1cc(F)cc(CN2CC[C@H](Oc3ccccc3)C2)c1 ZINC000582421256 378312176 /nfs/dbraw/zinc/31/21/76/378312176.db2.gz MDUYILPCUAOJKT-KRWDZBQOSA-N -1 3 287.334 3.185 20 0 CGADHM COc1ccc(C(F)(F)C(=O)[N-]c2onc(C)c2C)cc1 ZINC000270465874 378355546 /nfs/dbraw/zinc/35/55/46/378355546.db2.gz RJRUELSFPPXZIU-UHFFFAOYSA-N -1 3 296.273 3.031 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2ccc(Cl)cc2)n1 ZINC000345938954 378414273 /nfs/dbraw/zinc/41/42/73/378414273.db2.gz YAOOWHWTIIJGOQ-UHFFFAOYSA-N -1 3 262.696 3.001 20 0 CGADHM CC(C)Oc1cccc(CN(C)Cc2ncccc2[O-])c1 ZINC000584437154 378385175 /nfs/dbraw/zinc/38/51/75/378385175.db2.gz UUWGJFOXWRVKCW-UHFFFAOYSA-N -1 3 286.375 3.206 20 0 CGADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCC12CCC2 ZINC000346074053 378456070 /nfs/dbraw/zinc/45/60/70/378456070.db2.gz REDLVHFTNGTYAJ-UHFFFAOYSA-N -1 3 277.339 3.009 20 0 CGADHM Cc1ncccc1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000346073838 378456636 /nfs/dbraw/zinc/45/66/36/378456636.db2.gz QXBAGJCKFHUHFO-UHFFFAOYSA-N -1 3 288.322 3.196 20 0 CGADHM Cc1ccc([O-])c(CN2CCc3[nH]c4ccccc4c3C2)n1 ZINC000271043234 378435452 /nfs/dbraw/zinc/43/54/52/378435452.db2.gz OLHBTJYFVILEOY-UHFFFAOYSA-N -1 3 293.370 3.135 20 0 CGADHM O=C(NCC1(C2CCCCC2)CCCCC1)c1c[n-]nn1 ZINC000346134461 378476108 /nfs/dbraw/zinc/47/61/08/378476108.db2.gz SRIUTOKWKFOXFS-UHFFFAOYSA-N -1 3 290.411 3.065 20 0 CGADHM O=C(NCC1(C2CCCCC2)CCCCC1)c1cnn[n-]1 ZINC000346134461 378476111 /nfs/dbraw/zinc/47/61/11/378476111.db2.gz SRIUTOKWKFOXFS-UHFFFAOYSA-N -1 3 290.411 3.065 20 0 CGADHM O=C(NCC1(C2CCCCC2)CCCCC1)c1cn[n-]n1 ZINC000346134461 378476114 /nfs/dbraw/zinc/47/61/14/378476114.db2.gz SRIUTOKWKFOXFS-UHFFFAOYSA-N -1 3 290.411 3.065 20 0 CGADHM CCCN(CC)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000346343492 378551654 /nfs/dbraw/zinc/55/16/54/378551654.db2.gz SQMAJMHEYGDIHA-UHFFFAOYSA-N -1 3 285.347 3.314 20 0 CGADHM Cc1ncc(C(=O)[N-]OC2CCCC2)c(Cl)c1Cl ZINC000272117501 378567204 /nfs/dbraw/zinc/56/72/04/378567204.db2.gz OWHCUPGNPODLEI-UHFFFAOYSA-N -1 3 289.162 3.301 20 0 CGADHM Cc1[nH]nc(C(F)F)c1NC(=O)c1ccc(C)c(C)c1[O-] ZINC000272687138 378688460 /nfs/dbraw/zinc/68/84/60/378688460.db2.gz BSPOJKCZQYXQFT-UHFFFAOYSA-N -1 3 295.289 3.230 20 0 CGADHM CC(C)[C@@H]1C[C@@H](CC(=O)Nc2cc(F)ccc2[O-])CCO1 ZINC000272739756 378696462 /nfs/dbraw/zinc/69/64/62/378696462.db2.gz BZTQMUJSAHXHGF-NHYWBVRUSA-N -1 3 295.354 3.311 20 0 CGADHM O=C(c1cc([O-])ccc1Cl)N1CCc2c1cccc2F ZINC000346749579 218005814 /nfs/dbraw/zinc/00/58/14/218005814.db2.gz UVKCHQOVKQEMLW-UHFFFAOYSA-N -1 3 291.709 3.388 20 0 CGADHM Cc1ccc2c(c1C)OC[C@@H]2NCc1cc([O-])cc(F)c1 ZINC000274440681 378833859 /nfs/dbraw/zinc/83/38/59/378833859.db2.gz OTIZHXLKKAFHMN-INIZCTEOSA-N -1 3 287.334 3.371 20 0 CGADHM Cc1ncc(CN[C@H](C)c2ccc(C(C)C)cc2)c(=O)[n-]1 ZINC000346812037 218022396 /nfs/dbraw/zinc/02/23/96/218022396.db2.gz VYGIGYYYVAHFFL-GFCCVEGCSA-N -1 3 285.391 3.465 20 0 CGADHM CCOc1nc2cc(C(=O)NCCC3=CCCC3)ccc2[n-]1 ZINC000346831130 218028378 /nfs/dbraw/zinc/02/83/78/218028378.db2.gz RAMTYGWHTSDNQM-UHFFFAOYSA-N -1 3 299.374 3.192 20 0 CGADHM CCOc1nc2ccc(C(=O)NCCC3=CCCC3)cc2[n-]1 ZINC000346831130 218028382 /nfs/dbraw/zinc/02/83/82/218028382.db2.gz RAMTYGWHTSDNQM-UHFFFAOYSA-N -1 3 299.374 3.192 20 0 CGADHM O=C(NCc1ncccc1[O-])Nc1csc2ccccc12 ZINC000346937292 218064585 /nfs/dbraw/zinc/06/45/85/218064585.db2.gz KBAKDONTBAFYMA-UHFFFAOYSA-N -1 3 299.355 3.324 20 0 CGADHM CSc1ccc(C)c(NC([O-])=NO[C@H]2CCCCO2)c1 ZINC000274902619 378916375 /nfs/dbraw/zinc/91/63/75/378916375.db2.gz TVEWZBCCUNTGIO-ZDUSSCGKSA-N -1 3 296.392 3.297 20 0 CGADHM CSc1ccc(C)c(NC(=O)[N-]O[C@H]2CCCCO2)c1 ZINC000274902619 378916379 /nfs/dbraw/zinc/91/63/79/378916379.db2.gz TVEWZBCCUNTGIO-ZDUSSCGKSA-N -1 3 296.392 3.297 20 0 CGADHM C[C@@H]1c2cccn2CCN1C(=O)c1cc([O-])ccc1Cl ZINC000278563380 194044874 /nfs/dbraw/zinc/04/48/74/194044874.db2.gz ICUKEBXKFFHMDQ-SNVBAGLBSA-N -1 3 290.750 3.064 20 0 CGADHM CC(C)c1cc(NC([O-])=NOCc2ccccc2)no1 ZINC000266355786 190251211 /nfs/dbraw/zinc/25/12/11/190251211.db2.gz GARPIPJZINXROA-UHFFFAOYSA-N -1 3 275.308 3.051 20 0 CGADHM CC(C)c1cc(NC(=O)[N-]OCc2ccccc2)no1 ZINC000266355786 190251212 /nfs/dbraw/zinc/25/12/12/190251212.db2.gz GARPIPJZINXROA-UHFFFAOYSA-N -1 3 275.308 3.051 20 0 CGADHM C[C@@H](CCNCc1cccc(Cl)c1F)CC(=O)[O-] ZINC000277189909 379092869 /nfs/dbraw/zinc/09/28/69/379092869.db2.gz FURUXBPMZVIALE-VIFPVBQESA-N -1 3 273.735 3.070 20 0 CGADHM CCCC[C@H](NCc1cc(Cl)ccc1F)C(=O)[O-] ZINC000277235105 379105777 /nfs/dbraw/zinc/10/57/77/379105777.db2.gz ITPBSVQXGFACRR-LBPRGKRZSA-N -1 3 273.735 3.212 20 0 CGADHM COC1CCC(CN=c2[n-]c(C(F)(F)F)cs2)CC1 ZINC000347418629 218228682 /nfs/dbraw/zinc/22/86/82/218228682.db2.gz VVCNMLCDMAKMDE-UHFFFAOYSA-N -1 3 294.342 3.201 20 0 CGADHM CC(C)(CNCc1cccc(Cl)c1F)CC(=O)[O-] ZINC000277454104 379162455 /nfs/dbraw/zinc/16/24/55/379162455.db2.gz VFIHNPPCSHZYJX-UHFFFAOYSA-N -1 3 273.735 3.070 20 0 CGADHM CC[C@H](NCc1cc([O-])cc(F)c1)c1c(C)nn(C)c1C ZINC000349596124 379316746 /nfs/dbraw/zinc/31/67/46/379316746.db2.gz FNKXLLOSSALLTJ-HNNXBMFYSA-N -1 3 291.370 3.123 20 0 CGADHM C[C@H]([N-]C(=O)C(F)F)c1ccc(OCC2CC2)c(F)c1 ZINC000278985899 194240985 /nfs/dbraw/zinc/24/09/85/194240985.db2.gz FCGDPUTYJUEFRY-QMMMGPOBSA-N -1 3 287.281 3.057 20 0 CGADHM CSCCO[N-]C(=O)C[C@@H](C)c1c[nH]c2ccccc21 ZINC000279885707 379543326 /nfs/dbraw/zinc/54/33/26/379543326.db2.gz FKSIAUSEQFHGJP-LLVKDONJSA-N -1 3 292.404 3.072 20 0 CGADHM [O-]c1ccc(-c2noc(COCC3CCCC3)n2)cc1 ZINC000351088395 379640229 /nfs/dbraw/zinc/64/02/29/379640229.db2.gz KYJMTYNALAUSKQ-UHFFFAOYSA-N -1 3 274.320 3.149 20 0 CGADHM CC(C)c1noc([N-][C@@H]2CCO[C@H]2c2ccccc2)n1 ZINC000267021060 190297592 /nfs/dbraw/zinc/29/75/92/190297592.db2.gz IYRADDDTOVAFPL-OLZOCXBDSA-N -1 3 273.336 3.135 20 0 CGADHM CC1(C)CN(Cc2cc(=O)[n-]c(C3CC3)n2)[C@H]1c1ccco1 ZINC000639929618 379653200 /nfs/dbraw/zinc/65/32/00/379653200.db2.gz OPPHOOTVMOYDMK-HNNXBMFYSA-N -1 3 299.374 3.236 20 0 CGADHM O=C(Nc1nc(C2CCC2)cs1)c1cc(C(F)F)[n-]n1 ZINC000640207831 379745604 /nfs/dbraw/zinc/74/56/04/379745604.db2.gz LOZOPLFSFSYBPM-UHFFFAOYSA-N -1 3 298.318 3.324 20 0 CGADHM C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N-]C(=O)C(F)F ZINC000279016032 194250133 /nfs/dbraw/zinc/25/01/33/194250133.db2.gz MEIDVWUNAPAXAD-ZETCQYMHSA-N -1 3 281.224 3.018 20 0 CGADHM COc1cc(C(=O)NCc2coc3ccccc23)ccc1[O-] ZINC000352398898 379794997 /nfs/dbraw/zinc/79/49/97/379794997.db2.gz FQXQKIHRVWCSAP-UHFFFAOYSA-N -1 3 297.310 3.077 20 0 CGADHM CC(C)[C@@H](CC(=O)NCc1ncccc1[O-])c1ccccc1 ZINC000352509341 379840059 /nfs/dbraw/zinc/84/00/59/379840059.db2.gz PCHMLTQGJNQQBL-OAHLLOKOSA-N -1 3 298.386 3.233 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)[C@@]23C[C@@H]2CCC3)c1-c1cccc(F)c1 ZINC000640943451 379882656 /nfs/dbraw/zinc/88/26/56/379882656.db2.gz NVGINUIRNAMDBX-SJCJKPOMSA-N -1 3 299.349 3.075 20 0 CGADHM Cc1oc(CN(C)C[C@@H](C)C(C)(C)C)cc1C(=O)[O-] ZINC000399375076 379938459 /nfs/dbraw/zinc/93/84/59/379938459.db2.gz GMUZMYUNTGBKOE-SNVBAGLBSA-N -1 3 267.369 3.400 20 0 CGADHM COc1ccc(C(=O)N(C)C[C@@H](C)C(C)(C)C)c([O-])c1 ZINC000399563853 379940700 /nfs/dbraw/zinc/94/07/00/379940700.db2.gz BTABSLKXSKBTFI-LLVKDONJSA-N -1 3 279.380 3.155 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CC[C@@H](C)C[C@@H]2C)c(F)c1 ZINC000404891222 379985123 /nfs/dbraw/zinc/98/51/23/379985123.db2.gz YLASEMADTJMWIZ-SCDSUCTJSA-N -1 3 299.411 3.237 20 0 CGADHM CC(C)COc1ccc(CNCc2ncccc2[O-])cc1 ZINC000347873021 218385036 /nfs/dbraw/zinc/38/50/36/218385036.db2.gz DZDGDUGXGYNHCO-UHFFFAOYSA-N -1 3 286.375 3.112 20 0 CGADHM [O-]c1ccc(F)c(CN2CCCC3(CCC3)C2)c1F ZINC000353260372 380194165 /nfs/dbraw/zinc/19/41/65/380194165.db2.gz PGTZMWIHRGSMMN-UHFFFAOYSA-N -1 3 267.319 3.437 20 0 CGADHM COC1([C@@H](C)NCc2cccc([O-])c2Cl)CCC1 ZINC000414520809 380293759 /nfs/dbraw/zinc/29/37/59/380293759.db2.gz DFUOVOKIIYRHLL-SNVBAGLBSA-N -1 3 269.772 3.093 20 0 CGADHM NC1(c2noc(-c3ccc4c(c3[O-])CCCC4)n2)CCCC1 ZINC000414624892 380341586 /nfs/dbraw/zinc/34/15/86/380341586.db2.gz HLEZFKBEVFGWAV-UHFFFAOYSA-N -1 3 299.374 3.049 20 0 CGADHM COc1ccc(F)c(CN[C@@H](CCC(C)(C)C)C(=O)[O-])c1 ZINC000414646200 380350809 /nfs/dbraw/zinc/35/08/09/380350809.db2.gz ATWPCNSVWMTQMH-AWEZNQCLSA-N -1 3 297.370 3.203 20 0 CGADHM CC[C@@H]([N-]C(=O)C(F)F)c1ccc(Cl)s1 ZINC000279095359 194282491 /nfs/dbraw/zinc/28/24/91/194282491.db2.gz UIEHYGYYCGWTQW-RXMQYKEDSA-N -1 3 253.701 3.234 20 0 CGADHM CCc1cccc(C(=O)N(CC)CC(C)(C)C)c1[O-] ZINC000644720780 380497666 /nfs/dbraw/zinc/49/76/66/380497666.db2.gz YWTFDWDLYQFGKX-UHFFFAOYSA-N -1 3 263.381 3.463 20 0 CGADHM CC[C@@H](C)C[C@H](C)NC(=O)c1c[n-]nc1-c1ccccn1 ZINC000354503769 380462399 /nfs/dbraw/zinc/46/23/99/380462399.db2.gz GWONEKHWFRSYFT-NEPJUHHUSA-N -1 3 286.379 3.026 20 0 CGADHM Cc1cc(C(=O)N2CC[C@H]2Cc2ccccc2)ccc1[O-] ZINC000354537802 380476671 /nfs/dbraw/zinc/47/66/71/380476671.db2.gz RBXCXTACFRCQSB-INIZCTEOSA-N -1 3 281.355 3.158 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2C[C@H](C)[C@H](C)[C@@H]2C)c1 ZINC000416326169 380526805 /nfs/dbraw/zinc/52/68/05/380526805.db2.gz ZQIJXNOBSPOLOE-SRVKXCTJSA-N -1 3 261.365 3.071 20 0 CGADHM Cc1sccc1CN[C@H](CC(=O)[O-])c1ccsc1 ZINC000417541468 380634139 /nfs/dbraw/zinc/63/41/39/380634139.db2.gz YHNACDQSVJLRFA-GFCCVEGCSA-N -1 3 281.402 3.424 20 0 CGADHM Cc1cc(F)c(CNC[C@@H](C(=O)[O-])C(C)C)c(Cl)c1 ZINC000417539953 380634917 /nfs/dbraw/zinc/63/49/17/380634917.db2.gz WJIITRISJYAGGF-SNVBAGLBSA-N -1 3 287.762 3.234 20 0 CGADHM O=C([O-])C[C@H](CNCc1ccc(Cl)o1)c1ccccc1 ZINC000417551122 380636078 /nfs/dbraw/zinc/63/60/78/380636078.db2.gz YJWHVAKCRLRMSV-GFCCVEGCSA-N -1 3 293.750 3.281 20 0 CGADHM C[C@@H](CNCc1ccc(-c2cccc(F)c2F)o1)C(=O)[O-] ZINC000417585506 380644524 /nfs/dbraw/zinc/64/45/24/380644524.db2.gz PDLGGNSMBCEWOH-VIFPVBQESA-N -1 3 295.285 3.035 20 0 CGADHM CC1(C)C[C@@H](NCc2cccc([O-])c2Cl)C(C)(C)O1 ZINC000645171580 380603287 /nfs/dbraw/zinc/60/32/87/380603287.db2.gz NUVSLSXCQNJKRB-GFCCVEGCSA-N -1 3 283.799 3.481 20 0 CGADHM O=C([O-])[C@H](CC1CCC1)NCc1ccc(Cl)cc1F ZINC000417704230 380668580 /nfs/dbraw/zinc/66/85/80/380668580.db2.gz MKURBFZWZZXAMM-ZDUSSCGKSA-N -1 3 285.746 3.212 20 0 CGADHM O=C([O-])[C@@H]1C=C[C@H](NCc2cc(Cl)cc(Cl)c2)C1 ZINC000417613112 380652101 /nfs/dbraw/zinc/65/21/01/380652101.db2.gz CMNDPVUTMYJGSQ-SKDRFNHKSA-N -1 3 286.158 3.112 20 0 CGADHM O=C([O-])C1(CNCc2ccc(Oc3ccccc3)o2)CC1 ZINC000417619780 380655275 /nfs/dbraw/zinc/65/52/75/380655275.db2.gz ZOTAKLFEXBUJIE-UHFFFAOYSA-N -1 3 287.315 3.026 20 0 CGADHM CC[C@H](CCC(=O)[O-])NCc1ccsc1Cl ZINC000417629373 380658162 /nfs/dbraw/zinc/65/81/62/380658162.db2.gz VMBHMSDDXRULKY-SECBINFHSA-N -1 3 261.774 3.135 20 0 CGADHM Cc1cccc(CN[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)c1 ZINC000417632283 380658302 /nfs/dbraw/zinc/65/83/02/380658302.db2.gz ZRNCSXPBSXMWLP-SJORKVTESA-N -1 3 281.355 3.398 20 0 CGADHM Cc1cc(Cl)cc(C)c1CN[C@H]1C=C[C@@H](C(=O)[O-])C1 ZINC000417632251 380658336 /nfs/dbraw/zinc/65/83/36/380658336.db2.gz ZPUINVDAPYIBOW-YPMHNXCESA-N -1 3 279.767 3.076 20 0 CGADHM O=C([O-])C[C@@H](CNCc1ccc(Cl)cc1)C(F)(F)F ZINC000417634680 380659601 /nfs/dbraw/zinc/65/96/01/380659601.db2.gz VOIVKMXIADXVNH-VIFPVBQESA-N -1 3 295.688 3.083 20 0 CGADHM CC[C@H]1C[C@H](NCc2cccc([O-])c2Cl)CCO1 ZINC000421384986 380930676 /nfs/dbraw/zinc/93/06/76/380930676.db2.gz MUCWJOQKTBBVDY-NEPJUHHUSA-N -1 3 269.772 3.093 20 0 CGADHM Cc1sc(C(=O)[O-])cc1CN1CC[C@H](OCC(C)C)C1 ZINC000572414586 322336158 /nfs/dbraw/zinc/33/61/58/322336158.db2.gz DBPAGJJIBPFNSV-ZDUSSCGKSA-N -1 3 297.420 3.002 20 0 CGADHM CC[C@@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)C(C)(C)C ZINC000357380037 381136251 /nfs/dbraw/zinc/13/62/51/381136251.db2.gz HBEXVJMTXCPPJJ-OAHLLOKOSA-N -1 3 286.375 3.083 20 0 CGADHM CC(C)(C)CCCCC(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000357487341 381178309 /nfs/dbraw/zinc/17/83/09/381178309.db2.gz YYJFFCBEFJBKAJ-CYBMUJFWSA-N -1 3 293.411 3.228 20 0 CGADHM Cc1ccc(F)c([N-]C(=O)c2cc(-c3ccccn3)no2)c1 ZINC000360176949 381466986 /nfs/dbraw/zinc/46/69/86/381466986.db2.gz ZHBRZZXOUWXZFY-UHFFFAOYSA-N -1 3 297.289 3.436 20 0 CGADHM O=C(CCCc1ccc([O-])c(F)c1)NCCC1(F)CCC1 ZINC000360221880 381485922 /nfs/dbraw/zinc/48/59/22/381485922.db2.gz OVXPGNUWTYMQRF-UHFFFAOYSA-N -1 3 297.345 3.253 20 0 CGADHM Cc1cc(C)c2[n-]cc(C(=O)N(C)[C@@H](C)C3CC3)c(=O)c2c1 ZINC000361384372 381724922 /nfs/dbraw/zinc/72/49/22/381724922.db2.gz DKWJJFYFPVZXTR-LBPRGKRZSA-N -1 3 298.386 3.015 20 0 CGADHM Cc1ccc2c(c1)N(Cc1nc(C)ccc1[O-])C[C@@H](C)O2 ZINC000362099430 381884671 /nfs/dbraw/zinc/88/46/71/381884671.db2.gz UNSGLDUXOCQDDJ-CYBMUJFWSA-N -1 3 284.359 3.192 20 0 CGADHM CCc1cc(C(=O)N(C)Cc2ccc(OC)cc2)ccc1[O-] ZINC000362379765 381964796 /nfs/dbraw/zinc/96/47/96/381964796.db2.gz URUUHKOHLGADJR-UHFFFAOYSA-N -1 3 299.370 3.235 20 0 CGADHM Cc1ccc(F)c(CN2CCC[C@H](CCC(=O)[O-])C2)c1 ZINC000235903026 542314084 /nfs/dbraw/zinc/31/40/84/542314084.db2.gz ZEBOEOJAQXWURY-CYBMUJFWSA-N -1 3 279.355 3.211 20 0 CGADHM COc1cc(C(=O)N2CC[C@H](C3CCCC3)C2)ccc1[O-] ZINC000335033695 207508938 /nfs/dbraw/zinc/50/89/38/207508938.db2.gz HSCJJTUTVATWIP-AWEZNQCLSA-N -1 3 289.375 3.053 20 0 CGADHM CSc1ccc(F)cc1CNC(=O)c1ccccc1[O-] ZINC000436569530 532972024 /nfs/dbraw/zinc/97/20/24/532972024.db2.gz FPRVGZALHBUTHV-UHFFFAOYSA-N -1 3 291.347 3.183 20 0 CGADHM CSc1cccc(F)c1CNC(=O)c1cccc([O-])c1 ZINC000359102688 533015849 /nfs/dbraw/zinc/01/58/49/533015849.db2.gz ZXXAFWHIRBQNMO-UHFFFAOYSA-N -1 3 291.347 3.183 20 0 CGADHM Cc1csc(C(=O)[N-]c2nnc(C)s2)c1Cl ZINC000335331669 208209300 /nfs/dbraw/zinc/20/93/00/208209300.db2.gz IYJHTXNXVJJYBN-UHFFFAOYSA-N -1 3 273.770 3.122 20 0 CGADHM O=C(N[C@@H]1CCc2ccccc21)c1cc([O-])ccc1Cl ZINC000335325562 208193159 /nfs/dbraw/zinc/19/31/59/208193159.db2.gz XBBSGIJLRPGDOE-OAHLLOKOSA-N -1 3 287.746 3.463 20 0 CGADHM C[C@@H]1CN(C(=O)c2cc([O-])c3ccccc3c2)[C@@H]1C ZINC000335972202 542473212 /nfs/dbraw/zinc/47/32/12/542473212.db2.gz YOPOYASIGZPGJX-GHMZBOCLSA-N -1 3 255.317 3.026 20 0 CGADHM COc1cccc(-c2nc([C@H]3CCC(F)(F)C3)no2)c1[O-] ZINC000281502158 195268261 /nfs/dbraw/zinc/26/82/61/195268261.db2.gz UMAFLPWROFXTLP-QMMMGPOBSA-N -1 3 296.273 3.354 20 0 CGADHM Cc1ccc([N-]S(=O)(=O)c2ccccc2C)c(C)c1 ZINC000112333369 256700574 /nfs/dbraw/zinc/70/05/74/256700574.db2.gz ULDYARXEBMOKOG-UHFFFAOYSA-N -1 3 275.373 3.413 20 0 CGADHM Cc1ccc(-c2noc(-c3n[n-]nc3-c3ccccc3)n2)o1 ZINC000350209129 542531673 /nfs/dbraw/zinc/53/16/73/542531673.db2.gz JZPVZWRXNZOSBT-UHFFFAOYSA-N -1 3 293.286 3.090 20 0 CGADHM CC(C)CN(C)C(=O)c1cc([O-])c2ccccc2c1 ZINC000352616718 542554183 /nfs/dbraw/zinc/55/41/83/542554183.db2.gz VNNLEBHDLJSEIN-UHFFFAOYSA-N -1 3 257.333 3.273 20 0 CGADHM CC[C@H](C)N(C)C(=O)c1cc([O-])c2ccccc2c1 ZINC000354811142 542563815 /nfs/dbraw/zinc/56/38/15/542563815.db2.gz NROUGEGWJQXFNT-NSHDSACASA-N -1 3 257.333 3.416 20 0 CGADHM C[C@@H](NC(=O)c1cc([O-])c2ccccc2c1)c1ccon1 ZINC000355585844 542567707 /nfs/dbraw/zinc/56/77/07/542567707.db2.gz HSMYJKZFEFIXOQ-SNVBAGLBSA-N -1 3 282.299 3.024 20 0 CGADHM [O-]c1ccc(-c2noc(-c3ccc4c(n3)CCCC4)n2)cc1 ZINC000442349969 285383424 /nfs/dbraw/zinc/38/34/24/285383424.db2.gz LYVPJZSRCJCJKP-UHFFFAOYSA-N -1 3 293.326 3.383 20 0 CGADHM [O-]c1cccnc1CNCc1ccc(C(F)(F)F)cc1 ZINC000347791167 285398425 /nfs/dbraw/zinc/39/84/25/285398425.db2.gz GILXAAYNZXEXMK-UHFFFAOYSA-N -1 3 282.265 3.096 20 0 CGADHM COc1ccc(C(=O)N2CCC[C@H](C(C)(C)C)C2)c([O-])c1 ZINC000436922300 533299060 /nfs/dbraw/zinc/29/90/60/533299060.db2.gz MPXWMTOOWUCVBD-LBPRGKRZSA-N -1 3 291.391 3.299 20 0 CGADHM COc1cccc(C(=O)NCC[C@H]2CCCC[C@H]2C)c1[O-] ZINC000436643735 533408174 /nfs/dbraw/zinc/40/81/74/533408174.db2.gz FYGSIPJQXVHZHC-CHWSQXEVSA-N -1 3 291.391 3.347 20 0 CGADHM COc1cccc(C(=O)Nc2cc(Cl)ccc2[O-])c1 ZINC000006297731 533420744 /nfs/dbraw/zinc/42/07/44/533420744.db2.gz DKEFZROCLGGKGX-UHFFFAOYSA-N -1 3 277.707 3.307 20 0 CGADHM C[C@@H](CCCC(F)(F)F)NC(=O)c1cccc([O-])c1 ZINC000427969318 533530227 /nfs/dbraw/zinc/53/02/27/533530227.db2.gz WGFOWHBJVQNSRI-VIFPVBQESA-N -1 3 275.270 3.243 20 0 CGADHM COc1cccc(Cl)c1CN1CCC[C@H](C)[C@H]1C(=O)[O-] ZINC000424269345 533557627 /nfs/dbraw/zinc/55/76/27/533557627.db2.gz MHGRAZSRCVSDMA-HZMBPMFUSA-N -1 3 297.782 3.034 20 0 CGADHM Cc1ccc(C(=O)N[C@H]2CCc3cc(F)ccc32)c([O-])c1 ZINC000436677275 533601037 /nfs/dbraw/zinc/60/10/37/533601037.db2.gz WMMPHNHYQAKELS-HNNXBMFYSA-N -1 3 285.318 3.257 20 0 CGADHM Cc1ccc(C(=O)Nc2ccc3c(c2)C(=O)CCC3)c([O-])c1 ZINC000436575373 533612818 /nfs/dbraw/zinc/61/28/18/533612818.db2.gz IRNWPROOSDLJRU-UHFFFAOYSA-N -1 3 295.338 3.472 20 0 CGADHM Cc1ccc(C(=O)Nc2cccc(OCCF)c2)c([O-])c1 ZINC000436584478 533615221 /nfs/dbraw/zinc/61/52/21/533615221.db2.gz NBSBWUWIKUSJQA-UHFFFAOYSA-N -1 3 289.306 3.301 20 0 CGADHM COc1ccc(CNC(=O)c2ccc(C(C)C)cc2[O-])cc1 ZINC000436622212 533648749 /nfs/dbraw/zinc/64/87/49/533648749.db2.gz BVCFGLSYMZINNU-UHFFFAOYSA-N -1 3 299.370 3.454 20 0 CGADHM Cc1cc(Cl)ccc1CN1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000388687907 542605631 /nfs/dbraw/zinc/60/56/31/542605631.db2.gz RQJPURDENJJTLP-BXUZGUMPSA-N -1 3 281.783 3.191 20 0 CGADHM C[C@H](CN=c1[n-]cc(C(F)(F)F)s1)C1CC1 ZINC000381299617 542597237 /nfs/dbraw/zinc/59/72/37/542597237.db2.gz HTQCJPVTVAHAGQ-ZCFIWIBFSA-N -1 3 250.289 3.042 20 0 CGADHM Cc1ccc(CN([C@@H](C)C(=O)[O-])C2CC2)c(Cl)c1 ZINC000383421575 542600013 /nfs/dbraw/zinc/60/00/13/542600013.db2.gz WUDUMKKRWDVPAT-JTQLQIEISA-N -1 3 267.756 3.086 20 0 CGADHM CC(C)c1ccc(C(=O)N2CCC(C)CC2)c([O-])c1 ZINC000048369822 391998486 /nfs/dbraw/zinc/99/84/86/391998486.db2.gz XTOFKAFRYIPEJH-UHFFFAOYSA-N -1 3 261.365 3.388 20 0 CGADHM Cc1csc(NC(=O)c2ccc(C)c(C)c2[O-])n1 ZINC000048520126 392003631 /nfs/dbraw/zinc/00/36/31/392003631.db2.gz RXHSFSPWVXIBFW-UHFFFAOYSA-N -1 3 262.334 3.026 20 0 CGADHM CCC1CCC(C[N-]S(=O)(=O)c2cccs2)CC1 ZINC000049282262 392042647 /nfs/dbraw/zinc/04/26/47/392042647.db2.gz ZZTZLNNOLBZODY-UHFFFAOYSA-N -1 3 287.450 3.243 20 0 CGADHM CC1CCC(CNC(=O)c2c[n-]c3ccccc3c2=O)CC1 ZINC000055491865 392100848 /nfs/dbraw/zinc/10/08/48/392100848.db2.gz ZZURDRONVOYTDN-UHFFFAOYSA-N -1 3 298.386 3.084 20 0 CGADHM Cc1ccc(CC(=O)N2CCCc3cccc([O-])c32)cc1 ZINC000063063924 392135298 /nfs/dbraw/zinc/13/52/98/392135298.db2.gz GWVUITNFNYHFSW-UHFFFAOYSA-N -1 3 281.355 3.223 20 0 CGADHM CC(C)c1cc(C(=O)N(C)CCCO)c([O-])c(C(C)C)c1 ZINC000281968132 392265230 /nfs/dbraw/zinc/26/52/30/392265230.db2.gz OSGCWWZBJMWHMJ-UHFFFAOYSA-N -1 3 293.407 3.093 20 0 CGADHM C[C@@H](NC(=O)c1cc([O-])ccc1Cl)C1CCCC1 ZINC000235205928 130947221 /nfs/dbraw/zinc/94/72/21/130947221.db2.gz IHKZVYMLPGQJEE-SECBINFHSA-N -1 3 267.756 3.354 20 0 CGADHM COc1ccc(NC(=O)[C@]2(C)CCC[C@@H]2C)c([O-])c1 ZINC000451247492 542674624 /nfs/dbraw/zinc/67/46/24/542674624.db2.gz MLJGCBDYCOCOOZ-ZUZCIYMTSA-N -1 3 263.337 3.166 20 0 CGADHM CC[C@@H](C)CC(=O)Nc1nnc(-c2c(F)cccc2F)[n-]1 ZINC000361950157 392373270 /nfs/dbraw/zinc/37/32/70/392373270.db2.gz ATYBSLWOGKYCTQ-MRVPVSSYSA-N -1 3 294.305 3.125 20 0 CGADHM CC[C@@H](C)CC(=O)Nc1nc(-c2c(F)cccc2F)n[n-]1 ZINC000361950157 392373277 /nfs/dbraw/zinc/37/32/77/392373277.db2.gz ATYBSLWOGKYCTQ-MRVPVSSYSA-N -1 3 294.305 3.125 20 0 CGADHM CC[C@@H](C)CC(=O)Nc1n[n-]c(-c2c(F)cccc2F)n1 ZINC000361950157 392373283 /nfs/dbraw/zinc/37/32/83/392373283.db2.gz ATYBSLWOGKYCTQ-MRVPVSSYSA-N -1 3 294.305 3.125 20 0 CGADHM O=C([O-])CCCCN1CC[C@H](Oc2ccccc2Cl)C1 ZINC000263577295 131299082 /nfs/dbraw/zinc/29/90/82/131299082.db2.gz RJXGFZHATSOCRY-LBPRGKRZSA-N -1 3 297.782 3.048 20 0 CGADHM CCc1cccc2c(CC(=O)[N-]OC/C=C/Cl)c[nH]c21 ZINC000291859891 392494910 /nfs/dbraw/zinc/49/49/10/392494910.db2.gz OTVKDIDNICQMDH-QPJJXVBHSA-N -1 3 292.766 3.073 20 0 CGADHM CCSCCN1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000158857212 392577970 /nfs/dbraw/zinc/57/79/70/392577970.db2.gz BJOLBLKWQMBGLR-UHFFFAOYSA-N -1 3 293.432 3.040 20 0 CGADHM CCC(=O)c1cccc(NC(=O)C=Cc2cncc([O-])c2)c1 ZINC000182136625 392742799 /nfs/dbraw/zinc/74/27/99/392742799.db2.gz HYMPJMFSXXRMGL-VOTSOKGWSA-N -1 3 296.326 3.032 20 0 CGADHM CCOc1cc(/C=C/C(=O)Nc2ccccc2[O-])ccc1O ZINC000182159047 392743302 /nfs/dbraw/zinc/74/33/02/392743302.db2.gz ZCJBJOQDQBRLFK-CSKARUKUSA-N -1 3 299.326 3.148 20 0 CGADHM CCCC[C@@H]1CCC[C@H]1NC(=O)c1cccc([O-])c1 ZINC000509336610 392744572 /nfs/dbraw/zinc/74/45/72/392744572.db2.gz FJUBBNXOVTXQFL-IUODEOHRSA-N -1 3 261.365 3.481 20 0 CGADHM [O-]c1ccc(F)c(CNCCCc2ccccc2)c1F ZINC000509624800 392760705 /nfs/dbraw/zinc/76/07/05/392760705.db2.gz IYGICEZVYLICGG-UHFFFAOYSA-N -1 3 277.314 3.393 20 0 CGADHM Cc1ccc(C(=O)N2CC=C(c3ccccc3)C2)c([O-])c1 ZINC000374866811 392710915 /nfs/dbraw/zinc/71/09/15/392710915.db2.gz XDSDJCQQNLYILT-UHFFFAOYSA-N -1 3 279.339 3.240 20 0 CGADHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)s1)C1CCCC1 ZINC000506245711 392717060 /nfs/dbraw/zinc/71/70/60/392717060.db2.gz ACMXHYJDAFMNGD-QMMMGPOBSA-N -1 3 293.841 3.259 20 0 CGADHM C[C@@H]1CCCC[C@@H]1OCCNCc1c(F)ccc([O-])c1F ZINC000509917059 392776786 /nfs/dbraw/zinc/77/67/86/392776786.db2.gz YANVHDWHBXMYNA-ABAIWWIYSA-N -1 3 299.361 3.355 20 0 CGADHM Cc1ccc(C(=O)N2CC[C@@H](C)c3cccc([O-])c32)o1 ZINC000186253326 392780828 /nfs/dbraw/zinc/78/08/28/392780828.db2.gz MWAOMLJUDSKHGP-SNVBAGLBSA-N -1 3 271.316 3.448 20 0 CGADHM CC[C@@H](SC)C(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000186342353 392782108 /nfs/dbraw/zinc/78/21/08/392782108.db2.gz FTFJOGPADDDYRO-GXFFZTMASA-N -1 3 279.405 3.374 20 0 CGADHM CC(C)C[C@H](C)CC(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000647799488 392801105 /nfs/dbraw/zinc/80/11/05/392801105.db2.gz DXJZAHPOHGEPMR-JTQLQIEISA-N -1 3 275.352 3.279 20 0 CGADHM O=C(Nc1[nH][n-]c2cc(=O)ccc1-2)c1ccc(Cl)cc1 ZINC000647802532 392803521 /nfs/dbraw/zinc/80/35/21/392803521.db2.gz OJJOOTIGTWHRAO-UHFFFAOYSA-N -1 3 287.706 3.174 20 0 CGADHM Cc1ccc(OCC(=O)Nc2c([O-])cccc2Cl)cc1 ZINC000647835531 392809915 /nfs/dbraw/zinc/80/99/15/392809915.db2.gz YEAWLQBUFCNWND-UHFFFAOYSA-N -1 3 291.734 3.372 20 0 CGADHM CC(C)(C)c1cc(C(=O)Nc2c([O-])cccc2Cl)n[nH]1 ZINC000647835264 392810310 /nfs/dbraw/zinc/81/03/10/392810310.db2.gz MJDBJQPUIJQLKN-UHFFFAOYSA-N -1 3 293.754 3.319 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])[C@@H]1CCCCCC(=O)C1 ZINC000519741189 392888763 /nfs/dbraw/zinc/88/87/63/392888763.db2.gz LFVZAYQSALJPAS-SNVBAGLBSA-N -1 3 279.311 3.009 20 0 CGADHM COc1ccc([O-])c(C(=O)Nc2ccc3ccccc3n2)c1 ZINC000648057533 392892330 /nfs/dbraw/zinc/89/23/30/392892330.db2.gz GWACWOOWUIFLNY-UHFFFAOYSA-N -1 3 294.310 3.201 20 0 CGADHM [O-]c1cccc(CNC[C@H]2Cc3ccccc32)c1Cl ZINC000381412891 392907752 /nfs/dbraw/zinc/90/77/52/392907752.db2.gz QPFWNSIGLAXCGK-CYBMUJFWSA-N -1 3 273.763 3.475 20 0 CGADHM O=c1[n-]c(-c2cccc(Cl)c2)nc2cccnc21 ZINC000491590268 542717719 /nfs/dbraw/zinc/71/77/19/542717719.db2.gz YPCSXLOWYMLJGD-UHFFFAOYSA-N -1 3 257.680 3.051 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2ccc3cc[nH]c3c2)c1 ZINC000194869408 392943782 /nfs/dbraw/zinc/94/37/82/392943782.db2.gz JCAZSTOVAFAKRM-UHFFFAOYSA-N -1 3 266.300 3.434 20 0 CGADHM O=C(N[C@H]1C=CCCC1)c1cc([O-])c2ccccc2c1 ZINC000527457505 542741818 /nfs/dbraw/zinc/74/18/18/542741818.db2.gz SVAWHYDKGSJSPV-AWEZNQCLSA-N -1 3 267.328 3.384 20 0 CGADHM CC(C)(NC(=O)CCCc1ccc([O-])c(F)c1)C1CC1 ZINC000526051885 392954529 /nfs/dbraw/zinc/95/45/29/392954529.db2.gz VTLIAFIHMAJCBC-UHFFFAOYSA-N -1 3 279.355 3.159 20 0 CGADHM CCn1ncc2ccc(NC(=O)c3cccc(C)c3[O-])cc21 ZINC000195743339 392974454 /nfs/dbraw/zinc/97/44/54/392974454.db2.gz JWHUWIKAMQZUDJ-UHFFFAOYSA-N -1 3 295.342 3.323 20 0 CGADHM CCc1cccc(C(=O)N2CC[C@H](C)[C@@H]2CC)c1[O-] ZINC000547820033 288978278 /nfs/dbraw/zinc/97/82/78/288978278.db2.gz UWJDJAWVCNLHNF-FZMZJTMJSA-N -1 3 261.365 3.215 20 0 CGADHM O=C(CCCc1ccc([O-])c(F)c1)NCC1CCCC1 ZINC000468309770 393134099 /nfs/dbraw/zinc/13/40/99/393134099.db2.gz CXNOVSMBRDBMMK-UHFFFAOYSA-N -1 3 279.355 3.160 20 0 CGADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@H]1C=CCCC1 ZINC000469194810 393181480 /nfs/dbraw/zinc/18/14/80/393181480.db2.gz RPJIOVPQNXMXMM-ZDUSSCGKSA-N -1 3 277.339 3.079 20 0 CGADHM CC(C)(C)C(C)(C)NC(=O)c1c[n-]c2ccccc2c1=O ZINC000646467316 393291196 /nfs/dbraw/zinc/29/11/96/393291196.db2.gz NOAYFTPDZPSEOL-UHFFFAOYSA-N -1 3 286.375 3.083 20 0 CGADHM CO[C@H](CC(C)C)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000416179687 393276412 /nfs/dbraw/zinc/27/64/12/393276412.db2.gz NGRIASBXVGVAEV-GFCCVEGCSA-N -1 3 271.744 3.045 20 0 CGADHM CC(=O)c1[n-]c(=NC2CCC(OC(C)C)CC2)sc1C ZINC000649309722 393396726 /nfs/dbraw/zinc/39/67/26/393396726.db2.gz CCAHSURSVVXREQ-UHFFFAOYSA-N -1 3 296.436 3.224 20 0 CGADHM CC(C)[C@H]1N(C(=O)c2ccccc2[O-])CC12CC=CC2 ZINC000649144214 393358911 /nfs/dbraw/zinc/35/89/11/393358911.db2.gz RERGMFBHZFWTHS-OAHLLOKOSA-N -1 3 271.360 3.209 20 0 CGADHM CCc1csc([N-]C(=O)c2cc([C@@H](C)CC)no2)n1 ZINC000356160572 393363301 /nfs/dbraw/zinc/36/33/01/393363301.db2.gz HYSLFFDLOCIGRF-QMMMGPOBSA-N -1 3 279.365 3.459 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)C(C)(C)C1CCC1 ZINC000649228866 393376266 /nfs/dbraw/zinc/37/62/66/393376266.db2.gz CTKYSLRYVIJLPD-UHFFFAOYSA-N -1 3 263.385 3.028 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)C1CC(C(C)(C)C)C1 ZINC000649228962 393376601 /nfs/dbraw/zinc/37/66/01/393376601.db2.gz HGGCEUPZNNJCIM-UHFFFAOYSA-N -1 3 277.412 3.274 20 0 CGADHM CCc1c(C)nc2ccccc2c1N1CC[C@H](C(=O)[O-])[C@H]1C ZINC000649406992 393414539 /nfs/dbraw/zinc/41/45/39/393414539.db2.gz RFKTUVAMDLFQGN-OCCSQVGLSA-N -1 3 298.386 3.405 20 0 CGADHM C[C@@H](CC(C)(C)C)C(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000356325496 393420395 /nfs/dbraw/zinc/42/03/95/393420395.db2.gz TWQDHAGTETYASR-VIFPVBQESA-N -1 3 276.340 3.076 20 0 CGADHM C[C@@H](CC(C)(C)C)C(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000356325496 393420399 /nfs/dbraw/zinc/42/03/99/393420399.db2.gz TWQDHAGTETYASR-VIFPVBQESA-N -1 3 276.340 3.076 20 0 CGADHM C[C@@H](CC(C)(C)C)C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000356325496 393420402 /nfs/dbraw/zinc/42/04/02/393420402.db2.gz TWQDHAGTETYASR-VIFPVBQESA-N -1 3 276.340 3.076 20 0 CGADHM CCc1cc(=O)[n-]c(CNC2(c3ccccc3C)CCC2)n1 ZINC000649644624 393522073 /nfs/dbraw/zinc/52/20/73/393522073.db2.gz LFPIIIYWKBWDCY-UHFFFAOYSA-N -1 3 297.402 3.222 20 0 CGADHM CC[C@@H]1CCN1Cc1cc([O-])ccc1Br ZINC000430193322 393536164 /nfs/dbraw/zinc/53/61/64/393536164.db2.gz RETILSUCTFTVMM-SNVBAGLBSA-N -1 3 270.170 3.139 20 0 CGADHM CC[C@H](N[C@@H](C)c1nc(C)cc(=O)[n-]1)c1ccccc1F ZINC000649740494 393569357 /nfs/dbraw/zinc/56/93/57/393569357.db2.gz AQIVXQKPAIOGLL-FZMZJTMJSA-N -1 3 289.354 3.432 20 0 CGADHM Cc1ccc2nccc(N3C[C@H](C)C[C@H](C(=O)[O-])C3)c2c1 ZINC000422557706 393639800 /nfs/dbraw/zinc/63/98/00/393639800.db2.gz LDPAKTWRPMREJM-OLZOCXBDSA-N -1 3 284.359 3.090 20 0 CGADHM Cc1ccc([O-])c(CN2CCC[C@H](C(F)(F)F)[C@@H]2C)n1 ZINC000361141373 393683401 /nfs/dbraw/zinc/68/34/01/393683401.db2.gz NVJXJTLZIKAJRB-QWRGUYRKSA-N -1 3 288.313 3.258 20 0 CGADHM CCOc1ccc(NC(=O)/C=C\c2cncc([O-])c2)c(C)c1 ZINC000492441914 393735796 /nfs/dbraw/zinc/73/57/96/393735796.db2.gz OAKJMAYXAVWQPF-DAXSKMNVSA-N -1 3 298.342 3.146 20 0 CGADHM Cc1ccccc1[C@H](C)N(C)C(=O)/C=C\c1cncc([O-])c1 ZINC000492474501 393740431 /nfs/dbraw/zinc/74/04/31/393740431.db2.gz OJPWWOFXEOSHMN-CKXPSTMWSA-N -1 3 296.370 3.328 20 0 CGADHM CC(C)CN(C(=O)/C=C/c1cncc([O-])c1)C1CCCC1 ZINC000492470856 393740539 /nfs/dbraw/zinc/74/05/39/393740539.db2.gz GQQMLOGKQMLQFM-BQYQJAHWSA-N -1 3 288.391 3.228 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)/C=C\c2cscn2)c1[O-] ZINC000492249225 393708458 /nfs/dbraw/zinc/70/84/58/393708458.db2.gz PNZKGIYZHUPYQD-IHWYPQMZSA-N -1 3 294.763 3.462 20 0 CGADHM O=C(/C=C/c1cscn1)Nc1ccc(Cl)cc1[O-] ZINC000492272367 393712608 /nfs/dbraw/zinc/71/26/08/393712608.db2.gz XOBKLBDOYFHRCG-DUXPYHPUSA-N -1 3 280.736 3.154 20 0 CGADHM Cc1ccc(C(=O)N[C@@H]2CCCOc3ccccc32)c([O-])c1 ZINC000436540902 393717432 /nfs/dbraw/zinc/71/74/32/393717432.db2.gz RICYZIXMXHHMNP-OAHLLOKOSA-N -1 3 297.354 3.344 20 0 CGADHM [O-]c1cccc(/C=C/c2nc(-c3ccoc3)no2)c1 ZINC000445465267 393797287 /nfs/dbraw/zinc/79/72/87/393797287.db2.gz QSCNQCZHRXWBBT-SNAWJCMRSA-N -1 3 254.245 3.206 20 0 CGADHM Cc1cc(C(=O)Nc2ccc3c(c2)OC(C)(C)O3)ccc1[O-] ZINC000499794962 393807214 /nfs/dbraw/zinc/80/72/14/393807214.db2.gz DRULDBWVWUKOGJ-UHFFFAOYSA-N -1 3 299.326 3.460 20 0 CGADHM CCc1ccc([O-])c(C(=O)NCc2ccccc2F)c1 ZINC000500415938 393826801 /nfs/dbraw/zinc/82/68/01/393826801.db2.gz SGXVNLFBHBESGY-UHFFFAOYSA-N -1 3 273.307 3.024 20 0 CGADHM CCC(=O)c1ccc(-c2nc3cc(F)ccc3c(=O)[n-]2)cc1 ZINC000446145272 393851504 /nfs/dbraw/zinc/85/15/04/393851504.db2.gz LAHSIIAOOCBSTC-UHFFFAOYSA-N -1 3 296.301 3.322 20 0 CGADHM CCC[C@@H]1CCCCN1C(=O)Cc1ccc([O-])c(F)c1 ZINC000450580564 394023133 /nfs/dbraw/zinc/02/31/33/394023133.db2.gz COWLIQWCIASXJG-CYBMUJFWSA-N -1 3 279.355 3.255 20 0 CGADHM FC(F)(F)c1c[n-]c(=NCCCC2CCOCC2)s1 ZINC000450551024 394015598 /nfs/dbraw/zinc/01/55/98/394015598.db2.gz CRODGUWOXBAFPY-UHFFFAOYSA-N -1 3 294.342 3.203 20 0 CGADHM CC1(C)CCC[C@H](CNC(=O)Cc2ccc([O-])c(F)c2)C1 ZINC000456887687 394293639 /nfs/dbraw/zinc/29/36/39/394293639.db2.gz SXHJOGCGAMNDTJ-ZDUSSCGKSA-N -1 3 293.382 3.406 20 0 CGADHM CCC1CN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000457274684 394340043 /nfs/dbraw/zinc/34/00/43/394340043.db2.gz KIJFCAQBAQGXSS-UHFFFAOYSA-N -1 3 295.382 3.465 20 0 CGADHM Cc1cc(C(=O)N2CCc3cc(F)ccc32)ccc1[O-] ZINC000548937022 289029618 /nfs/dbraw/zinc/02/96/18/289029618.db2.gz SAPPORDFRLYSPG-UHFFFAOYSA-N -1 3 271.291 3.043 20 0 CGADHM CC[C@H](C)CN(C)C(=O)c1cc(SC)ccc1[O-] ZINC000668565333 543028052 /nfs/dbraw/zinc/02/80/52/543028052.db2.gz GBDBQZLCUKQLJN-JTQLQIEISA-N -1 3 267.394 3.232 20 0 CGADHM Cc1cc(C(=O)Nc2cc(F)ccc2[O-])cs1 ZINC000671785052 543190072 /nfs/dbraw/zinc/19/00/72/543190072.db2.gz VYPAOGMUKHSVRZ-UHFFFAOYSA-N -1 3 251.282 3.154 20 0 CGADHM c1ccc(-c2noc([N-]Cc3noc4c3CCCC4)n2)cc1 ZINC000673489111 543242801 /nfs/dbraw/zinc/24/28/01/543242801.db2.gz YCZBLVACOGBMFA-UHFFFAOYSA-N -1 3 296.330 3.216 20 0 CGADHM COc1cc(C)cc(C(=O)Nc2ncc(Cl)s2)c1[O-] ZINC000673939034 543260526 /nfs/dbraw/zinc/26/05/26/543260526.db2.gz YCLHHBRCLHTPSS-UHFFFAOYSA-N -1 3 298.751 3.071 20 0 CGADHM COc1ccc(Cl)cc1CN1CCCC[C@@H]1CC(=O)[O-] ZINC000038027504 397610393 /nfs/dbraw/zinc/61/03/93/397610393.db2.gz GBRVOGBPJUYQNI-CYBMUJFWSA-N -1 3 297.782 3.178 20 0 CGADHM [O-]c1ccccc1-c1nc(COc2ccccc2)no1 ZINC000040542128 397610892 /nfs/dbraw/zinc/61/08/92/397610892.db2.gz POKPKSVCJLYZCK-UHFFFAOYSA-N -1 3 268.272 3.021 20 0 CGADHM Cc1csc(CCC(=O)Nc2ccc(C)cc2[O-])n1 ZINC000443921415 397703971 /nfs/dbraw/zinc/70/39/71/397703971.db2.gz LYTDTIBMFYCCRM-UHFFFAOYSA-N -1 3 276.361 3.037 20 0 CGADHM C[C@H]1CCC[C@@]1(C)c1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000650605571 397880137 /nfs/dbraw/zinc/88/01/37/397880137.db2.gz URFXPLYOMWZDCJ-BJOHPYRUSA-N -1 3 283.335 3.086 20 0 CGADHM CCC[C@H](C)[N-]S(=O)(=O)c1oc2ccc(F)cc2c1C ZINC000675451031 543341831 /nfs/dbraw/zinc/34/18/31/543341831.db2.gz WOBOLHSLFYSCNT-VIFPVBQESA-N -1 3 299.367 3.347 20 0 CGADHM O=C(c1ccccc1[O-])N1CC[C@@H]1c1cccc(F)c1 ZINC000678314177 543514329 /nfs/dbraw/zinc/51/43/29/543514329.db2.gz UEBOTLQYOWMBHC-CQSZACIVSA-N -1 3 271.291 3.119 20 0 CGADHM C[C@H]([N-]c1nc(-c2ccccc2)no1)[C@H]1CCCCO1 ZINC000679005551 543581724 /nfs/dbraw/zinc/58/17/24/543581724.db2.gz VYHTXSCETKXCIJ-WCQYABFASA-N -1 3 273.336 3.106 20 0 CGADHM COc1ccc([O-])c(C(=O)N2CCC[C@H]2c2ccccc2)c1 ZINC000123720630 286337579 /nfs/dbraw/zinc/33/75/79/286337579.db2.gz RRVFMBHLQDGEMG-INIZCTEOSA-N -1 3 297.354 3.378 20 0 CGADHM C[C@@H]([N-]C(=O)C1(C(F)(F)F)CCCC1)C(F)(F)F ZINC000415699429 286935114 /nfs/dbraw/zinc/93/51/14/286935114.db2.gz IQUFQLBIWHNLHN-ZCFIWIBFSA-N -1 3 277.208 3.176 20 0 CGADHM CCCN(Cc1ccccc1)C(=O)c1cccc(OC)c1[O-] ZINC000078242486 287046172 /nfs/dbraw/zinc/04/61/72/287046172.db2.gz XWGFZTHRHGLCAL-UHFFFAOYSA-N -1 3 299.370 3.453 20 0 CGADHM [O-]c1ccccc1-c1nc([C@H]2Cc3ccccc32)no1 ZINC000086492353 287083031 /nfs/dbraw/zinc/08/30/31/287083031.db2.gz KIYLGFKPWKQDGF-ZDUSSCGKSA-N -1 3 264.284 3.130 20 0 CGADHM Cc1ccc(C(=O)Nc2ccc([O-])cc2F)s1 ZINC000085203680 165179001 /nfs/dbraw/zinc/17/90/01/165179001.db2.gz SUVKVKSKMXNQOV-UHFFFAOYSA-N -1 3 251.282 3.154 20 0 CGADHM Cc1cccc(CC(=O)Nc2ccc([O-])cc2F)c1 ZINC000085203854 165179237 /nfs/dbraw/zinc/17/92/37/165179237.db2.gz ZAOCQZRINBPBTG-UHFFFAOYSA-N -1 3 259.280 3.021 20 0 CGADHM [O-]C(=NOC1CCCC1)Nc1ccccc1Cl ZINC000089265145 165202269 /nfs/dbraw/zinc/20/22/69/165202269.db2.gz ZFECDXBRGMLRGX-UHFFFAOYSA-N -1 3 254.717 3.336 20 0 CGADHM O=C([N-]OC1CCCC1)Nc1ccccc1Cl ZINC000089265145 165202277 /nfs/dbraw/zinc/20/22/77/165202277.db2.gz ZFECDXBRGMLRGX-UHFFFAOYSA-N -1 3 254.717 3.336 20 0 CGADHM Cc1ccc([O-])c(CNc2cnc3ccccc3c2)n1 ZINC000091993916 165279121 /nfs/dbraw/zinc/27/91/21/165279121.db2.gz VTPSOCHRIKXHBX-UHFFFAOYSA-N -1 3 265.316 3.256 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CCC[C@@H]2c2cccc(C)n2)c1 ZINC000092759354 165311772 /nfs/dbraw/zinc/31/17/72/165311772.db2.gz HBURNXXSBJSIDT-MRXNPFEDSA-N -1 3 296.370 3.381 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CCC[C@H](C)[C@H]2C)c1 ZINC000091743739 287109674 /nfs/dbraw/zinc/10/96/74/287109674.db2.gz YVYBMYUMNMSAFK-NWDGAFQWSA-N -1 3 261.365 3.215 20 0 CGADHM CN(C(=O)c1cccc([O-])c1)C1CCC(C)(C)CC1 ZINC000094859418 165395111 /nfs/dbraw/zinc/39/51/11/165395111.db2.gz MBEKDHCSKCIFAY-UHFFFAOYSA-N -1 3 261.365 3.433 20 0 CGADHM Cc1ccc(C(=O)N(C)[C@H](C)c2cccc(O)c2)c([O-])c1 ZINC000092602217 287112832 /nfs/dbraw/zinc/11/28/32/287112832.db2.gz ZSZHZZIKLKLRAV-GFCCVEGCSA-N -1 3 285.343 3.239 20 0 CGADHM COc1ccc(-c2noc(-c3cc(OC)ccc3[O-])n2)cc1 ZINC000109037254 287127160 /nfs/dbraw/zinc/12/71/60/287127160.db2.gz NJCQIJKXUJNCCQ-UHFFFAOYSA-N -1 3 298.298 3.126 20 0 CGADHM CCc1nc([C@@H](C)NC(=O)c2cccc(C)c2[O-])cs1 ZINC000110496720 287131690 /nfs/dbraw/zinc/13/16/90/287131690.db2.gz RYEXNPDHOXOHFY-SNVBAGLBSA-N -1 3 290.388 3.211 20 0 CGADHM CCCC[C@H]1CCC[C@@H]1NC(=O)c1ccc2n[n-]nc2c1 ZINC000110729232 287131744 /nfs/dbraw/zinc/13/17/44/287131744.db2.gz PJKYNPWLOFMGHA-AAEUAGOBSA-N -1 3 286.379 3.047 20 0 CGADHM Cc1noc(Cl)c1CCC(=O)Nc1ccc([O-])cc1F ZINC000180858149 165670042 /nfs/dbraw/zinc/67/00/42/165670042.db2.gz VDDJCWBKRCQQQB-UHFFFAOYSA-N -1 3 298.701 3.052 20 0 CGADHM CCS[C@H]1CCCCN(C(=O)c2cccc(C)c2[O-])C1 ZINC000112037878 287137833 /nfs/dbraw/zinc/13/78/33/287137833.db2.gz WBROCKRHFMHZNH-ZDUSSCGKSA-N -1 3 293.432 3.448 20 0 CGADHM Cc1cccc(-c2noc(-c3cccc(C)c3[O-])n2)n1 ZINC000111688674 287136220 /nfs/dbraw/zinc/13/62/20/287136220.db2.gz UDWHXIMDPRYWFM-UHFFFAOYSA-N -1 3 267.288 3.121 20 0 CGADHM COc1cccc(C(=O)Nc2cnc3ccccc3c2)c1[O-] ZINC000122142093 287206673 /nfs/dbraw/zinc/20/66/73/287206673.db2.gz NLNVFYSGPYZIIA-UHFFFAOYSA-N -1 3 294.310 3.201 20 0 CGADHM Cc1cccc(C(=O)N2CCCc3cc(F)ccc32)c1[O-] ZINC000122047145 287205769 /nfs/dbraw/zinc/20/57/69/287205769.db2.gz YTQIDYBJHOUDOE-UHFFFAOYSA-N -1 3 285.318 3.433 20 0 CGADHM C[C@H]1CCN(Cc2cc(F)ccc2Cl)[C@H](C(=O)[O-])C1 ZINC000124490525 287233977 /nfs/dbraw/zinc/23/39/77/287233977.db2.gz GAUQNZSIEPDMEY-ZANVPECISA-N -1 3 285.746 3.164 20 0 CGADHM CSCCCC(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000127696479 287294215 /nfs/dbraw/zinc/29/42/15/287294215.db2.gz PTYPAMIOKOAXBW-UHFFFAOYSA-N -1 3 273.785 3.436 20 0 CGADHM COC(=O)c1ccc(F)c(-c2ccc([O-])cc2F)c1 ZINC000065341111 175710532 /nfs/dbraw/zinc/71/05/32/175710532.db2.gz ICMVVIZRLOKACE-UHFFFAOYSA-N -1 3 264.227 3.124 20 0 CGADHM O=C(c1ccccc1[O-])N(Cc1ccccc1F)C1CC1 ZINC000128456919 287311600 /nfs/dbraw/zinc/31/16/00/287311600.db2.gz HGWJWLHHYGRQLN-UHFFFAOYSA-N -1 3 285.318 3.336 20 0 CGADHM COc1cc(C(=O)Nc2cccc([O-])c2F)ccc1C ZINC000128492970 287312284 /nfs/dbraw/zinc/31/22/84/287312284.db2.gz UABWQVMOMQNNGE-UHFFFAOYSA-N -1 3 275.279 3.101 20 0 CGADHM C[C@H]1CCCC[C@@H]1OCC(=O)Nc1cccc([O-])c1F ZINC000128657986 287315746 /nfs/dbraw/zinc/31/57/46/287315746.db2.gz WFZGAKWSPWTPPT-GWCFXTLKSA-N -1 3 281.327 3.065 20 0 CGADHM C[C@@H](C(=O)Nc1cccc([O-])c1F)c1cccs1 ZINC000128671045 287315866 /nfs/dbraw/zinc/31/58/66/287315866.db2.gz NKEJQHIUFBZSGN-MRVPVSSYSA-N -1 3 265.309 3.335 20 0 CGADHM C[C@H]1CCN(Cc2cccc(Cl)c2)[C@H](C(=O)[O-])C1 ZINC000129266934 287328115 /nfs/dbraw/zinc/32/81/15/287328115.db2.gz LQACIRDIXAYGFQ-GWCFXTLKSA-N -1 3 267.756 3.025 20 0 CGADHM CSc1ccc(C(=O)Nc2cccc([O-])c2F)o1 ZINC000129354479 287329395 /nfs/dbraw/zinc/32/93/95/287329395.db2.gz ANAXLURFCUTOMR-UHFFFAOYSA-N -1 3 267.281 3.099 20 0 CGADHM O=C(CC1CCCCC1)Nc1cccc([O-])c1F ZINC000129435568 287331349 /nfs/dbraw/zinc/33/13/49/287331349.db2.gz PROJPADOBXXMOH-UHFFFAOYSA-N -1 3 251.301 3.440 20 0 CGADHM CC[C@H](NCc1cccc([O-])c1Br)C1CC1 ZINC000315071972 416537076 /nfs/dbraw/zinc/53/70/76/416537076.db2.gz XANGMQJJXURBIV-NSHDSACASA-N -1 3 284.197 3.433 20 0 CGADHM C[C@H](CN1Cc2ccccc2[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000315867836 416539247 /nfs/dbraw/zinc/53/92/47/416539247.db2.gz IIMSKNKBDLAQSH-KDOFPFPSSA-N -1 3 295.382 3.474 20 0 CGADHM O=C(CCc1cccc(F)c1F)Nc1cccc([O-])c1F ZINC000129539484 287334302 /nfs/dbraw/zinc/33/43/02/287334302.db2.gz WBUXNSDXORHPHO-UHFFFAOYSA-N -1 3 295.260 3.381 20 0 CGADHM Cc1ccc(C(=O)Nc2ccc(N(C)C)cc2C)c([O-])c1 ZINC000129696002 287337551 /nfs/dbraw/zinc/33/75/51/287337551.db2.gz SXRZTOAGTRBJHJ-UHFFFAOYSA-N -1 3 284.359 3.327 20 0 CGADHM Cc1ccc(C(=O)N2CCc3c(F)cccc3C2)c([O-])c1 ZINC000129734515 287338183 /nfs/dbraw/zinc/33/81/83/287338183.db2.gz HRMJHQKUGSHLNX-UHFFFAOYSA-N -1 3 285.318 3.038 20 0 CGADHM C[C@@H]1CC[C@@H](CC(=O)Nc2cccc([O-])c2F)C1 ZINC000129771037 287338852 /nfs/dbraw/zinc/33/88/52/287338852.db2.gz AHMCQEBFGDDKEV-NXEZZACHSA-N -1 3 251.301 3.296 20 0 CGADHM CC(C)(C)C1CCC(CN2CCO[C@@H](CC(=O)[O-])C2)CC1 ZINC000130302927 287351182 /nfs/dbraw/zinc/35/11/82/287351182.db2.gz WJCCCUNJIXRPIR-NRXISQOPSA-N -1 3 297.439 3.014 20 0 CGADHM C[C@H](CC(=O)Nc1ccc([O-])cc1F)c1ccncc1 ZINC000679920491 543668246 /nfs/dbraw/zinc/66/82/46/543668246.db2.gz UXFWBNPRWNXZID-SNVBAGLBSA-N -1 3 274.295 3.059 20 0 CGADHM CCOc1ccccc1CN(C)Cc1nc(C)ccc1[O-] ZINC000130432693 287355292 /nfs/dbraw/zinc/35/52/92/287355292.db2.gz MBANAOFONZIBNO-UHFFFAOYSA-N -1 3 286.375 3.126 20 0 CGADHM CCc1ccc(C(=O)Nc2cccc(C)c2O)c([O-])c1 ZINC000682517270 543849555 /nfs/dbraw/zinc/84/95/55/543849555.db2.gz VHZWYTNNOSIYHV-UHFFFAOYSA-N -1 3 271.316 3.221 20 0 CGADHM C[C@H](c1ccccc1F)N(C)Cc1ncccc1[O-] ZINC000685409910 544065302 /nfs/dbraw/zinc/06/53/02/544065302.db2.gz FWNLCKSWSCAZCP-LLVKDONJSA-N -1 3 260.312 3.119 20 0 CGADHM CCc1ccc([O-])c(C(=O)N(C)CCc2ccccc2)c1 ZINC000132506248 287405343 /nfs/dbraw/zinc/40/53/43/287405343.db2.gz KBRJHRDJRJAACC-UHFFFAOYSA-N -1 3 283.371 3.269 20 0 CGADHM C[C@@H]1CC[C@@H](NC(=O)c2c[n-]nc2-c2ccccn2)C[C@H]1C ZINC000685825570 544099290 /nfs/dbraw/zinc/09/92/90/544099290.db2.gz IIUCPUPAHNQQFQ-JHJVBQTASA-N -1 3 298.390 3.026 20 0 CGADHM C[C@@H](C(=O)Nc1ccc([O-])c(C(F)(F)F)c1)C1CC1 ZINC000134224765 287438171 /nfs/dbraw/zinc/43/81/71/287438171.db2.gz XRYMJHOMCVEYER-SSDOTTSWSA-N -1 3 273.254 3.396 20 0 CGADHM CC[C@H]1CCCCCN1C(=O)c1cccc(C)c1[O-] ZINC000134722246 287452303 /nfs/dbraw/zinc/45/23/03/287452303.db2.gz VLSWAMQRIMYASU-ZDUSSCGKSA-N -1 3 261.365 3.495 20 0 CGADHM CC(C)Oc1ccccc1CN1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC000652496863 418976828 /nfs/dbraw/zinc/97/68/28/418976828.db2.gz FTCWRPZMBJSZFH-DZGCQCFKSA-N -1 3 291.391 3.016 20 0 CGADHM CC(C)C[C@@H](C(=O)[O-])N(C)Cc1cccc(Cl)c1F ZINC000652485040 418974544 /nfs/dbraw/zinc/97/45/44/418974544.db2.gz MERKKUJEKRMITK-LBPRGKRZSA-N -1 3 287.762 3.410 20 0 CGADHM C[C@H]1CCC[C@H](C)N1Cc1csc(C(=O)[O-])c1 ZINC000652366990 418957684 /nfs/dbraw/zinc/95/76/84/418957684.db2.gz BLNZJAQOVLJVHT-UWVGGRQHSA-N -1 3 253.367 3.209 20 0 CGADHM CCOc1ccc(CN(C)Cc2ccccc2C(=O)[O-])cc1 ZINC000652372439 418958354 /nfs/dbraw/zinc/95/83/54/418958354.db2.gz LAQDBCXDOYTHIL-UHFFFAOYSA-N -1 3 299.370 3.416 20 0 CGADHM CCc1ccc([O-])c(C(=O)N(CC)[C@@H](C)C(C)C)c1 ZINC000655090642 419020840 /nfs/dbraw/zinc/02/08/40/419020840.db2.gz TVPBCOVACVVQHF-LBPRGKRZSA-N -1 3 263.381 3.461 20 0 CGADHM O=C(Nc1c([O-])cccc1Cl)[C@H]1CC12CCC2 ZINC000655110426 419021817 /nfs/dbraw/zinc/02/18/17/419021817.db2.gz UXPYMPFPQLWLQI-MRVPVSSYSA-N -1 3 251.713 3.174 20 0 CGADHM Cc1ccc(CCN2Cc3ccc(C(=O)[O-])cc3C2)cc1 ZINC000659791224 418991314 /nfs/dbraw/zinc/99/13/14/418991314.db2.gz YRURWUUMRKQFMJ-UHFFFAOYSA-N -1 3 281.355 3.252 20 0 CGADHM CC[C@@H]1CN(C(=O)c2ccc(C(C)C)cc2[O-])[C@@H](C)CO1 ZINC000652771482 418991548 /nfs/dbraw/zinc/99/15/48/418991548.db2.gz APPOXYWVGQVQOZ-GXTWGEPZSA-N -1 3 291.391 3.155 20 0 CGADHM Cc1oc(CN2CCC[C@H](C3CCC3)C2)cc1C(=O)[O-] ZINC000659801565 418994389 /nfs/dbraw/zinc/99/43/89/418994389.db2.gz ILNNKHYKVVFABS-ZDUSSCGKSA-N -1 3 277.364 3.298 20 0 CGADHM CCc1ccncc1NC(=O)c1ccc(C)c(C)c1[O-] ZINC000652897417 419000584 /nfs/dbraw/zinc/00/05/84/419000584.db2.gz QZIYDXRDYWXBNN-UHFFFAOYSA-N -1 3 270.332 3.219 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2cnccc2CC)c1 ZINC000652897242 419001269 /nfs/dbraw/zinc/00/12/69/419001269.db2.gz LESVSNPIHZPITB-UHFFFAOYSA-N -1 3 270.332 3.164 20 0 CGADHM O=C([O-])[C@@H](CNCc1cc(Cl)ccc1F)C1CCC1 ZINC000665361266 419118258 /nfs/dbraw/zinc/11/82/58/419118258.db2.gz MJKKZACIDHJFFI-LBPRGKRZSA-N -1 3 285.746 3.070 20 0 CGADHM CSc1ccc([O-])c(C(=O)N2C[C@@H](C)C[C@H](C)C2)c1 ZINC000665100270 419055469 /nfs/dbraw/zinc/05/54/69/419055469.db2.gz STRZJXQMQNLOMX-QWRGUYRKSA-N -1 3 279.405 3.232 20 0 CGADHM CCOc1cc(CNc2cnoc2C)cc(Cl)c1[O-] ZINC000656536585 419180296 /nfs/dbraw/zinc/18/02/96/419180296.db2.gz IAKRIJSKHLQCBC-UHFFFAOYSA-N -1 3 282.727 3.353 20 0 CGADHM COc1cccc(C=Cc2cc(=O)[n-]c(C3CC3)n2)c1F ZINC000666087377 419189246 /nfs/dbraw/zinc/18/92/46/419189246.db2.gz LKPLUXHXKBCALH-FPLPWBNLSA-N -1 3 286.306 3.378 20 0 CGADHM Cc1cc(=O)[n-]c(C(C)(C)NCCCc2ccsc2)n1 ZINC000660751675 419190023 /nfs/dbraw/zinc/19/00/23/419190023.db2.gz OWHVIEBBDJLFEE-UHFFFAOYSA-N -1 3 291.420 3.010 20 0 CGADHM COc1cccc(CN2CCC[C@@](C)(C(=O)[O-])C2)c1Cl ZINC000656758118 419210502 /nfs/dbraw/zinc/21/05/02/419210502.db2.gz ZGYCETQNCGDMES-OAHLLOKOSA-N -1 3 297.782 3.035 20 0 CGADHM Cc1cc([C@@H](C)N2CCC[C@H](CCF)C2)oc1C(=O)[O-] ZINC000656762980 419212266 /nfs/dbraw/zinc/21/22/66/419212266.db2.gz JIKFBXSNYCTYFC-VXGBXAGGSA-N -1 3 283.343 3.419 20 0 CGADHM CCn1c(=O)[n-]nc1SCc1ccsc1Cl ZINC000657234549 419234215 /nfs/dbraw/zinc/23/42/15/419234215.db2.gz RSRUIEMVYDMKTK-UHFFFAOYSA-N -1 3 275.786 3.011 20 0 CGADHM Cc1cnc(S[C@@H](C)c2nc(C)cc(=O)[n-]2)c(C)c1 ZINC000657280329 419241485 /nfs/dbraw/zinc/24/14/85/419241485.db2.gz JHMXGTPXCXLRAO-NSHDSACASA-N -1 3 275.377 3.356 20 0 CGADHM CC(C)(C)CN(CC(=O)[O-])Cc1ccsc1Cl ZINC000662223807 419363664 /nfs/dbraw/zinc/36/36/64/419363664.db2.gz MQQSFSVQJMZDBY-UHFFFAOYSA-N -1 3 275.801 3.334 20 0 CGADHM CCc1oc(C(=O)[O-])cc1CN(C)C[C@H]1CC1(C)C ZINC000663316070 419552291 /nfs/dbraw/zinc/55/22/91/419552291.db2.gz AJBALIXDCREZNM-LLVKDONJSA-N -1 3 265.353 3.018 20 0 CGADHM [O-]c1coc2cc(OCc3csc(C4CC4)n3)ccc12 ZINC000664137211 419837762 /nfs/dbraw/zinc/83/77/62/419837762.db2.gz YQGZJNACVCHMOI-UHFFFAOYSA-N -1 3 287.340 3.175 20 0 CGADHM CO[C@@H](COc1ccc2c([O-])coc2c1)C1CCCCC1 ZINC000664136622 419837786 /nfs/dbraw/zinc/83/77/86/419837786.db2.gz UCRQBGGLHAPQIC-KRWDZBQOSA-N -1 3 290.359 3.236 20 0 CGADHM Cc1ccc(-c2noc([N-][C@@H]3COC(C)(C)C3)n2)cc1 ZINC000664144381 419843166 /nfs/dbraw/zinc/84/31/66/419843166.db2.gz GUQFRZCDBIDFNR-LBPRGKRZSA-N -1 3 273.336 3.024 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])c1ccoc1Cl ZINC000192440144 287600542 /nfs/dbraw/zinc/60/05/42/287600542.db2.gz DJDPQOQLPRKGEY-UHFFFAOYSA-N -1 3 255.632 3.030 20 0 CGADHM Cc1ccc(F)cc1S(=O)(=O)[N-]c1c(C)cccc1F ZINC000180742587 260109757 /nfs/dbraw/zinc/10/97/57/260109757.db2.gz YMVXJJFWTUBUNA-UHFFFAOYSA-N -1 3 297.326 3.382 20 0 CGADHM Cc1cc(C(=O)Nc2cccc(-c3cc[nH]n3)c2)ccc1[O-] ZINC000318268450 260933727 /nfs/dbraw/zinc/93/37/27/260933727.db2.gz DFWFOPZVLNUPSD-UHFFFAOYSA-N -1 3 293.326 3.343 20 0 CGADHM C[C@@H](CCOCc1ccccc1)NC(=O)c1ccccc1[O-] ZINC000390409942 262189328 /nfs/dbraw/zinc/18/93/28/262189328.db2.gz DKCCQWYWIHPMKJ-AWEZNQCLSA-N -1 3 299.370 3.117 20 0 CGADHM CC[C@H](NC(=O)c1cc(OC)ccc1[O-])c1cccs1 ZINC000042266345 270032054 /nfs/dbraw/zinc/03/20/54/270032054.db2.gz VZUDGAQBEBSXKC-LBPRGKRZSA-N -1 3 291.372 3.343 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CCC[C@@H]2C2CCCC2)c1 ZINC000044352596 270035748 /nfs/dbraw/zinc/03/57/48/270035748.db2.gz BCOWSZNYRMPODZ-OAHLLOKOSA-N -1 3 273.376 3.495 20 0 CGADHM CC(C)[C@@H]1C[C@@H]1C(=O)Nc1cc(Br)ccc1[O-] ZINC000185623100 270063736 /nfs/dbraw/zinc/06/37/36/270063736.db2.gz PTLYUURKQZWWJM-UWVGGRQHSA-N -1 3 298.180 3.385 20 0 CGADHM CC(=O)c1cc(C(=O)Nc2c(C)cccc2[O-])ccc1C ZINC000194445346 270081929 /nfs/dbraw/zinc/08/19/29/270081929.db2.gz BYYWBLUOMAIWAH-UHFFFAOYSA-N -1 3 283.327 3.464 20 0 CGADHM Cc1cc(C(=O)N[C@@H]2CCCC(C)(C)C2)ccc1[O-] ZINC000227410759 270087078 /nfs/dbraw/zinc/08/70/78/270087078.db2.gz DWDUYJDNESSFMR-CYBMUJFWSA-N -1 3 261.365 3.399 20 0 CGADHM CCC[C@H]1CCCCN1C(=O)c1ccc([O-])c(C)c1 ZINC000230661395 270089164 /nfs/dbraw/zinc/08/91/64/270089164.db2.gz OQIWLKGIOCNDKC-AWEZNQCLSA-N -1 3 261.365 3.495 20 0 CGADHM CC(C)[C@H](C)C[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000523522136 270109593 /nfs/dbraw/zinc/10/95/93/270109593.db2.gz YKXBZKKMXOQUTN-SECBINFHSA-N -1 3 293.791 3.050 20 0 CGADHM Cc1ccc(F)c(S(=O)(=O)[N-][C@H]2C[C@H](C)C[C@H](C)C2)c1 ZINC000523521823 270109734 /nfs/dbraw/zinc/10/97/34/270109734.db2.gz FIJQEYVBVIMFQC-ITGUQSILSA-N -1 3 299.411 3.237 20 0 CGADHM c1cc(-c2noc([C@H]3CCCC34CC4)n2)cc2n[n-]nc12 ZINC000528193039 270156960 /nfs/dbraw/zinc/15/69/60/270156960.db2.gz JEXCFKKYANYFPX-SNVBAGLBSA-N -1 3 281.319 3.056 20 0 CGADHM CC[C@H](Nc1cc(Cl)c(=O)[n-]n1)c1cc(C)ccc1C ZINC000528220340 270158198 /nfs/dbraw/zinc/15/81/98/270158198.db2.gz DUCCAURFSCHSBF-ZDUSSCGKSA-N -1 3 291.782 3.438 20 0 CGADHM CC(C)N(C(=O)c1cc([O-])cc(Br)c1)C1CC1 ZINC000528405739 270164479 /nfs/dbraw/zinc/16/44/79/270164479.db2.gz WBHCYIWTAGIPEP-UHFFFAOYSA-N -1 3 298.180 3.168 20 0 CGADHM C[C@H]1[C@@H](C2CC2)[C@H]1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000528905581 270175712 /nfs/dbraw/zinc/17/57/12/270175712.db2.gz XFZFHJJQKHMJKE-PAWXDDDFSA-N -1 3 265.740 3.276 20 0 CGADHM CCOc1cccc(CCC(=O)[N-]OC2CCCC2)c1 ZINC000528963199 270176465 /nfs/dbraw/zinc/17/64/65/270176465.db2.gz ARIVRBYSQYBZGP-UHFFFAOYSA-N -1 3 277.364 3.008 20 0 CGADHM CCO[C@H](C)c1ncc(C(=O)[N-]c2ncsc2C)s1 ZINC000529549694 270183994 /nfs/dbraw/zinc/18/39/94/270183994.db2.gz RCOQAKXASIZFCU-SSDOTTSWSA-N -1 3 297.405 3.258 20 0 CGADHM O=C(NCC[C@@H]1CC=CCC1)c1c[n-]c2ccccc2c1=O ZINC000529870272 270190661 /nfs/dbraw/zinc/19/06/61/270190661.db2.gz JZOROFNUCQFMNU-CYBMUJFWSA-N -1 3 296.370 3.004 20 0 CGADHM Cc1ccc(C)c(CN2CCc3occc3[C@@H]2C(=O)[O-])c1 ZINC000530164722 270195222 /nfs/dbraw/zinc/19/52/22/270195222.db2.gz CCEGQTAIGSFXSE-MRXNPFEDSA-N -1 3 285.343 3.080 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CC[C@@H]2Cc2ccccc2)c1 ZINC000530878063 270203231 /nfs/dbraw/zinc/20/32/31/270203231.db2.gz IBINYRXRLSYHNE-OAHLLOKOSA-N -1 3 281.355 3.158 20 0 CGADHM O=C(NCCCF)c1cc(Oc2ccccc2)ccc1[O-] ZINC000532627134 270217942 /nfs/dbraw/zinc/21/79/42/270217942.db2.gz NECRXDYHCJEKEB-UHFFFAOYSA-N -1 3 289.306 3.274 20 0 CGADHM O=C(NCCCF)c1cc(Cc2ccccc2)ccc1[O-] ZINC000532624595 270218099 /nfs/dbraw/zinc/21/80/99/270218099.db2.gz RYIQFSGORPCOPE-UHFFFAOYSA-N -1 3 287.334 3.072 20 0 CGADHM Cc1ccc(C(=O)N2[C@H](C)C[C@@H]3CCCC[C@H]32)c([O-])c1 ZINC000246728609 287718575 /nfs/dbraw/zinc/71/85/75/287718575.db2.gz HBIXRTYYHZSHKM-VNHYZAJKSA-N -1 3 273.376 3.494 20 0 CGADHM COc1ccc(CN[C@@H](CC(=O)[O-])C(C)(C)C)c(Cl)c1 ZINC000426793000 533690079 /nfs/dbraw/zinc/69/00/79/533690079.db2.gz OQADTPCJVUKKNZ-ZDUSSCGKSA-N -1 3 299.798 3.328 20 0 CGADHM COc1ccc(C(=O)N2C[C@@H](C)[C@H]3CCCC[C@@H]32)c([O-])c1 ZINC000180563303 277402739 /nfs/dbraw/zinc/40/27/39/277402739.db2.gz ODQFXLWKQQWUPD-KYOSRNDESA-N -1 3 289.375 3.052 20 0 CGADHM CC(C)Cc1csc2[n-]c(-c3ccco3)nc(=O)c12 ZINC000047682026 277513123 /nfs/dbraw/zinc/51/31/23/277513123.db2.gz ZSVCXZKCURBJCZ-UHFFFAOYSA-N -1 3 274.345 3.443 20 0 CGADHM C[C@H]1CCN(C(=O)[C@@H]2CCC(C)(C)O2)c2c([O-])cccc21 ZINC000280196019 278360774 /nfs/dbraw/zinc/36/07/74/278360774.db2.gz JZPJIBJUPZPIOH-FZMZJTMJSA-N -1 3 289.375 3.190 20 0 CGADHM C[C@H]1CCN(C(=O)[C@H]2CC2(C)C)c2c([O-])cccc21 ZINC000186309027 278361052 /nfs/dbraw/zinc/36/10/52/278361052.db2.gz NZGNCRHJBCLASE-CMPLNLGQSA-N -1 3 259.349 3.279 20 0 CGADHM CC(C)(C)[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccco1 ZINC000188592548 278541219 /nfs/dbraw/zinc/54/12/19/278541219.db2.gz FZXLOBKHOGBARC-RYUDHWBXSA-N -1 3 285.409 3.163 20 0 CGADHM CCCC(CCC)[S@@](=O)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000414266385 288057583 /nfs/dbraw/zinc/05/75/83/288057583.db2.gz VUYLURXXOCVTSZ-FQEVSTJZSA-N -1 3 296.436 3.277 20 0 CGADHM Cc1cccc(C(=O)Nc2cccc3c2OCCC3)c1[O-] ZINC000436585802 278913549 /nfs/dbraw/zinc/91/35/49/278913549.db2.gz QWDIVJNGLQIZQB-UHFFFAOYSA-N -1 3 283.327 3.278 20 0 CGADHM CCOc1cc(CN[C@@H]2CCC[C@@H]2F)cc(Cl)c1[O-] ZINC000459596344 288099660 /nfs/dbraw/zinc/09/96/60/288099660.db2.gz UGPNOFAAURHLIG-NWDGAFQWSA-N -1 3 287.762 3.425 20 0 CGADHM O=C(CCCCCc1ccc(F)cc1)[N-]C1=NCCS1 ZINC000186451074 279748965 /nfs/dbraw/zinc/74/89/65/279748965.db2.gz QEUDBBXOOUOHNB-UHFFFAOYSA-N -1 3 294.395 3.148 20 0 CGADHM CC[C@]1(C)COCCN1C(=O)c1ccc(C(C)C)cc1[O-] ZINC000436706933 281327667 /nfs/dbraw/zinc/32/76/67/281327667.db2.gz FCTRDSHVVFDACV-QGZVFWFLSA-N -1 3 291.391 3.157 20 0 CGADHM O=C(Nc1ccc(Br)cc1[O-])[C@@H]1C[C@H]1C1CC1 ZINC000530954233 288320335 /nfs/dbraw/zinc/32/03/35/288320335.db2.gz NIHCPYSRRPOUIL-VHSXEESVSA-N -1 3 296.164 3.139 20 0 CGADHM CC1(C)Cc2ccc(C(=O)N3CCCCCC3)c([O-])c2O1 ZINC000436777741 281371993 /nfs/dbraw/zinc/37/19/93/281371993.db2.gz OAWHKXPXCWEWTA-UHFFFAOYSA-N -1 3 289.375 3.122 20 0 CGADHM CCc1noc(C)c1[N-]C(=O)c1ncsc1C(C)C ZINC000362122042 281572347 /nfs/dbraw/zinc/57/23/47/281572347.db2.gz IMLOFNUOHKTGQZ-UHFFFAOYSA-N -1 3 279.365 3.378 20 0 CGADHM CCc1cccc(C(=O)N2CC[C@@H](C)C[C@@H](C)C2)c1[O-] ZINC000533571047 288387911 /nfs/dbraw/zinc/38/79/11/288387911.db2.gz HXXDECCTTCIOSI-CHWSQXEVSA-N -1 3 275.392 3.463 20 0 CGADHM CCc1ccc([O-])c(C(=O)N[C@@H](COC)c2ccccc2)c1 ZINC000535831252 288466321 /nfs/dbraw/zinc/46/63/21/288466321.db2.gz HQBJOYKPAJZFDZ-INIZCTEOSA-N -1 3 299.370 3.072 20 0 CGADHM CCc1cccc(C(=O)N[C@H](c2cccnc2)C2CC2)c1[O-] ZINC000537662309 288542904 /nfs/dbraw/zinc/54/29/04/288542904.db2.gz TYZFVCMLLLIPQW-INIZCTEOSA-N -1 3 296.370 3.231 20 0 CGADHM CCc1ccc([O-])c(C(=O)N[C@H](C)c2ccncc2CC)c1 ZINC000539098862 288604704 /nfs/dbraw/zinc/60/47/04/288604704.db2.gz ZXXACAXEILFCOT-GFCCVEGCSA-N -1 3 298.386 3.403 20 0 CGADHM Cc1cc(C(=O)NCc2ccc([C@@H]3C[C@@H]3C)o2)ccc1[O-] ZINC000540926525 288677390 /nfs/dbraw/zinc/67/73/90/288677390.db2.gz PYSCHAMMPFPJSV-IINYFYTJSA-N -1 3 285.343 3.347 20 0 CGADHM COc1cc(-c2nc3ccc(F)cc3c(=O)[n-]2)ccc1F ZINC000541858996 288723704 /nfs/dbraw/zinc/72/37/04/288723704.db2.gz VLEIYICPODIIII-UHFFFAOYSA-N -1 3 288.253 3.289 20 0 CGADHM C[C@@H]1Cc2ccccc2[C@@H]1NCc1ccc(C(=O)[O-])cc1 ZINC000414639322 288818795 /nfs/dbraw/zinc/81/87/95/288818795.db2.gz PTQRCDXTPXJHAM-SJKOYZFVSA-N -1 3 281.355 3.408 20 0 CGADHM COc1cc(C)cc(C(=O)Nc2cccc3cc[nH]c32)c1[O-] ZINC000548476451 289007940 /nfs/dbraw/zinc/00/79/40/289007940.db2.gz NOHRIXKFOXFBGQ-UHFFFAOYSA-N -1 3 296.326 3.443 20 0 CGADHM [O-]c1ccc(F)c(CNCCc2ccc(F)c(F)c2)c1F ZINC000552021524 289149823 /nfs/dbraw/zinc/14/98/23/289149823.db2.gz XAWLIDUFFQTESX-UHFFFAOYSA-N -1 3 299.267 3.281 20 0 CGADHM CC[C@@H]1C[C@H](C(=O)Nc2c([O-])cccc2Cl)CCO1 ZINC000552779901 289198383 /nfs/dbraw/zinc/19/83/83/289198383.db2.gz MJIICALYSHRABM-NXEZZACHSA-N -1 3 283.755 3.189 20 0 CGADHM O=C(N=c1cc2ccccn2[n-]1)[C@@H]1CCC[C@H]2CCCC[C@H]21 ZINC000553320339 289219226 /nfs/dbraw/zinc/21/92/26/289219226.db2.gz AQWUQNLSUFKTQY-FVQBIDKESA-N -1 3 297.402 3.301 20 0 CGADHM C[C@@H]1CC[C@@H]1NC(=O)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000553731947 289237366 /nfs/dbraw/zinc/23/73/66/289237366.db2.gz FKBDJYPRYOFBBB-APPZFPTMSA-N -1 3 295.795 3.320 20 0 CGADHM C[C@H](C(=O)[O-])N1Cc2ccccc2-c2ccccc2C1 ZINC000237470394 289388336 /nfs/dbraw/zinc/38/83/36/289388336.db2.gz FZYMVOFUHJXPQD-GFCCVEGCSA-N -1 3 267.328 3.142 20 0 CGADHM CC(C)[C@H](NCc1ncccc1[O-])c1ccc(F)cc1 ZINC000558403643 289491697 /nfs/dbraw/zinc/49/16/97/289491697.db2.gz DGJBCFXQFYVMHG-INIZCTEOSA-N -1 3 274.339 3.413 20 0 CGADHM CCCn1nc(C)c(C=Cc2cc(=O)[n-]c(C3CC3)n2)c1C ZINC000558453398 289496830 /nfs/dbraw/zinc/49/68/30/289496830.db2.gz KMXKREMISSHLPI-FPLPWBNLSA-N -1 3 298.390 3.453 20 0 CGADHM O=C(Nc1c([O-])cccc1Cl)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000560820434 289617090 /nfs/dbraw/zinc/61/70/90/289617090.db2.gz SKXMWWKLQRDPIK-GDGBQDQQSA-N -1 3 265.740 3.420 20 0 CGADHM Cc1cc(C(=O)N2CCCc3ccccc3C2)ccc1[O-] ZINC000227027391 301099148 /nfs/dbraw/zinc/09/91/48/301099148.db2.gz MAAFGYMFUACWAW-UHFFFAOYSA-N -1 3 281.355 3.289 20 0 CGADHM Cc1cccc2c(=O)c(C(=O)N3CC[C@H](C)[C@@H]3C)c[n-]c12 ZINC000164473220 302054121 /nfs/dbraw/zinc/05/41/21/302054121.db2.gz NPMHXRZJOMVFFC-JQWIXIFHSA-N -1 3 284.359 3.119 20 0 CGADHM COCc1ccsc1C(=O)[N-]c1c(C)noc1C1CC1 ZINC000152883846 321708174 /nfs/dbraw/zinc/70/81/74/321708174.db2.gz BZIZYBNAYJNJQX-UHFFFAOYSA-N -1 3 292.360 3.321 20 0 CGADHM C[C@@H]1CCN(C(=O)Cc2ccc([O-])cc2Cl)C[C@H]1C ZINC000153756942 321726650 /nfs/dbraw/zinc/72/66/50/321726650.db2.gz LNNPVUGVFNBXDQ-GHMZBOCLSA-N -1 3 281.783 3.093 20 0 CGADHM CCc1cc(N2CCC[C@H](CC(=O)[O-])C2)c2ccccc2n1 ZINC000563518691 322001596 /nfs/dbraw/zinc/00/15/96/322001596.db2.gz YYHGXZSJHMMDAB-CYBMUJFWSA-N -1 3 298.386 3.488 20 0 CGADHM Cc1oc(CN(C)C[C@H]2CCC(F)(F)C2)cc1C(=O)[O-] ZINC000563629436 322004878 /nfs/dbraw/zinc/00/48/78/322004878.db2.gz HWCIMPRQDLDLMV-JTQLQIEISA-N -1 3 287.306 3.153 20 0 CGADHM CC(C)(CCNC(=O)c1c[n-]nc1-c1ccccn1)C1CC1 ZINC000564035120 322018572 /nfs/dbraw/zinc/01/85/72/322018572.db2.gz ISKJMHYAEVTKEF-UHFFFAOYSA-N -1 3 298.390 3.028 20 0 CGADHM [O-]c1cccnc1CN1CCC[C@H]1c1ccsc1 ZINC000564289967 322025223 /nfs/dbraw/zinc/02/52/23/322025223.db2.gz CGYABWIXKXQOQZ-ZDUSSCGKSA-N -1 3 260.362 3.186 20 0 CGADHM O=C([O-])[C@@H](c1ccsc1)N1CCC(C(F)(F)F)CC1 ZINC000564660486 322038171 /nfs/dbraw/zinc/03/81/71/322038171.db2.gz GTAHTWBKFHKOIT-SNVBAGLBSA-N -1 3 293.310 3.148 20 0 CGADHM Cc1oc(C(=O)[O-])cc1CN1CCS[C@@H]2CCCC[C@@H]21 ZINC000565103344 322060663 /nfs/dbraw/zinc/06/06/63/322060663.db2.gz FGVUSUOTGOAFLM-GXTWGEPZSA-N -1 3 295.404 3.146 20 0 CGADHM COCc1ccc([C@@H]2CCCN2CCCCCC(=O)[O-])o1 ZINC000565107639 322060826 /nfs/dbraw/zinc/06/08/26/322060826.db2.gz RDLAAOUQUABUHX-AWEZNQCLSA-N -1 3 295.379 3.208 20 0 CGADHM O=C([O-])c1ccc(CN2CCC[C@@H]2c2ccccc2)o1 ZINC000565105969 322061044 /nfs/dbraw/zinc/06/10/44/322061044.db2.gz VENLYCDFUAYLKJ-CQSZACIVSA-N -1 3 271.316 3.315 20 0 CGADHM CC(C)[C@@H]1CCC[C@@H](NC(=O)Cc2cncc([O-])c2)CC1 ZINC000565214508 322066650 /nfs/dbraw/zinc/06/66/50/322066650.db2.gz PMWSPVDQFWTCDZ-HUUCEWRRSA-N -1 3 290.407 3.051 20 0 CGADHM O=C([O-])c1ccc(CN(C2CC2)C2CCCC2)c(F)c1 ZINC000565486583 322079824 /nfs/dbraw/zinc/07/98/24/322079824.db2.gz NAPRQYPPZBRPHK-UHFFFAOYSA-N -1 3 277.339 3.431 20 0 CGADHM CN(CCc1ccc(F)cc1)Cc1csc(C(=O)[O-])c1 ZINC000566015140 322100838 /nfs/dbraw/zinc/10/08/38/322100838.db2.gz KOQYXRALUXCPJI-UHFFFAOYSA-N -1 3 293.363 3.260 20 0 CGADHM C[C@H](c1ccc(Cl)cc1)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000566219612 322109669 /nfs/dbraw/zinc/10/96/69/322109669.db2.gz GBXDZYDCFIIUAY-JTNHKYCSSA-N -1 3 281.783 3.444 20 0 CGADHM CN(CCC1CCCCC1)Cc1occc1C(=O)[O-] ZINC000566358469 322117774 /nfs/dbraw/zinc/11/77/74/322117774.db2.gz ITHYNVNQIURUFG-UHFFFAOYSA-N -1 3 265.353 3.380 20 0 CGADHM Cc1sc(C(=O)[O-])cc1CN1CCC(OC(C)C)CC1 ZINC000566801751 322138815 /nfs/dbraw/zinc/13/88/15/322138815.db2.gz FUDOTEAJWROCNZ-UHFFFAOYSA-N -1 3 297.420 3.144 20 0 CGADHM C[C@]1(c2ccccc2)CCN(Cc2ccc(C(=O)[O-])o2)C1 ZINC000567116886 322151252 /nfs/dbraw/zinc/15/12/52/322151252.db2.gz PFRBWLDFJOCNPT-KRWDZBQOSA-N -1 3 285.343 3.141 20 0 CGADHM CC[C@]1(C)C[C@@H]1C(=O)Nc1c([O-])cccc1Cl ZINC000567249141 322156392 /nfs/dbraw/zinc/15/63/92/322156392.db2.gz YUUFEKWSKVXUOO-AMIZOPFISA-N -1 3 253.729 3.420 20 0 CGADHM CCO[C@H]1C[C@@H](N(C)Cc2csc(C(=O)[O-])c2)C1(C)C ZINC000567595377 322169536 /nfs/dbraw/zinc/16/95/36/322169536.db2.gz FRZYSABORDZOOY-OLZOCXBDSA-N -1 3 297.420 3.082 20 0 CGADHM CC(=O)c1cccc(NC(=O)C[C@@H]2CCC[C@@H]2C)c1[O-] ZINC000568884770 322226583 /nfs/dbraw/zinc/22/65/83/322226583.db2.gz AFPCELPZEHXBFG-JQWIXIFHSA-N -1 3 275.348 3.360 20 0 CGADHM CCC[C@@H](C(=O)N=c1cc2ccccn2[n-]1)c1ccccc1 ZINC000569518107 322249180 /nfs/dbraw/zinc/24/91/80/322249180.db2.gz FOSWEAXPRWMWQU-MRXNPFEDSA-N -1 3 293.370 3.279 20 0 CGADHM CCC1(CC)[C@@H](OC)C[C@@H]1N(C)Cc1ccc(C(=O)[O-])o1 ZINC000570220999 322268123 /nfs/dbraw/zinc/26/81/23/322268123.db2.gz YTZRIUNSWLSYEO-KBPBESRZSA-N -1 3 295.379 3.003 20 0 CGADHM CC[C@@H](C)[C@H](OC)C(=O)Nc1c([O-])cccc1Cl ZINC000571178145 322292417 /nfs/dbraw/zinc/29/24/17/322292417.db2.gz XSLMIHXRSVWJHB-PELKAZGASA-N -1 3 271.744 3.045 20 0 CGADHM CO[C@]1(C)C[C@H](N(C)Cc2ccsc2C(=O)[O-])C1(C)C ZINC000571410656 322298199 /nfs/dbraw/zinc/29/81/99/322298199.db2.gz VGMAVZQZZUGSDK-XHDPSFHLSA-N -1 3 297.420 3.082 20 0 CGADHM C[C@@H]1CC=C(c2nc(-c3ccc4n[n-]nc4c3)no2)CC1 ZINC000572125194 322321264 /nfs/dbraw/zinc/32/12/64/322321264.db2.gz SMCFNVADKCZLIT-SECBINFHSA-N -1 3 281.319 3.211 20 0 CGADHM C[C@H]1CCCCN1CCOc1ccc(C(=O)[O-])cc1Cl ZINC000572249716 322327544 /nfs/dbraw/zinc/32/75/44/322327544.db2.gz WREXNXZADYSDPI-NSHDSACASA-N -1 3 297.782 3.291 20 0 CGADHM CS[C@H]1CCCCN(Cc2cc(C(=O)[O-])oc2C)C1 ZINC000572532896 322342446 /nfs/dbraw/zinc/34/24/46/322342446.db2.gz IOVYDFMVEXGKHA-LBPRGKRZSA-N -1 3 283.393 3.004 20 0 CGADHM [O-]c1cccnc1CN1CCC[C@@H]1/C=C/c1ccccc1 ZINC000573366136 322384393 /nfs/dbraw/zinc/38/43/93/322384393.db2.gz FSLBPPYQAMAHQN-SIFUEBAJSA-N -1 3 280.371 3.465 20 0 CGADHM [O-]c1cccnc1CN1CCC(F)(c2ccccc2)CC1 ZINC000574366515 322436772 /nfs/dbraw/zinc/43/67/72/322436772.db2.gz SFPVRDDRFIDVEK-UHFFFAOYSA-N -1 3 286.350 3.248 20 0 CGADHM CC(C)OC1CCN(C(=O)c2cc([O-])ccc2Cl)CC1 ZINC000575200138 322478488 /nfs/dbraw/zinc/47/84/88/322478488.db2.gz SKDFALZCSMNEDW-UHFFFAOYSA-N -1 3 297.782 3.075 20 0 CGADHM Cc1nc2ccccc2c(N2CC[C@H](C)[C@@H](C(=O)[O-])C2)c1C ZINC000575311378 322481152 /nfs/dbraw/zinc/48/11/52/322481152.db2.gz COKIMBRIQRUDIF-NHYWBVRUSA-N -1 3 298.386 3.399 20 0 CGADHM CC(=O)c1cccc(NC(=O)c2[nH]ccc2C2CC2)c1[O-] ZINC000584293647 327224427 /nfs/dbraw/zinc/22/44/27/327224427.db2.gz OBGNGTRTQWUQTJ-UHFFFAOYSA-N -1 3 284.315 3.053 20 0 CGADHM CCC[C@]1(C)CCCN([C@@H](C)c2nc(C)cc(=O)[n-]2)C1 ZINC000583421169 327355560 /nfs/dbraw/zinc/35/55/60/327355560.db2.gz MBQZRNDBUKQXFJ-XJKSGUPXSA-N -1 3 277.412 3.454 20 0 CGADHM O=C([O-])c1cccc(CN2C[C@H]3CCC[C@@H]3C2)c1Cl ZINC000394558008 329120625 /nfs/dbraw/zinc/12/06/25/329120625.db2.gz JLDYABZUDWKLGZ-GHMZBOCLSA-N -1 3 279.767 3.270 20 0 CGADHM COc1cccc(Cl)c1CN1C[C@H](C(=O)[O-])CC[C@@H]1C ZINC000397124816 329341856 /nfs/dbraw/zinc/34/18/56/329341856.db2.gz VMMPECQFFKJMDR-WDEREUQCSA-N -1 3 297.782 3.034 20 0 CGADHM C[C@H](C(=O)Nc1cc(F)ccc1[O-])c1cccs1 ZINC000174872356 335168002 /nfs/dbraw/zinc/16/80/02/335168002.db2.gz NRFNBPQZADIBRZ-QMMMGPOBSA-N -1 3 265.309 3.335 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2C[C@@H](C)Oc3ccc(C)cc32)c1 ZINC000175051536 335171782 /nfs/dbraw/zinc/17/17/82/335171782.db2.gz MXENKKKJKLNTMR-CYBMUJFWSA-N -1 3 297.354 3.437 20 0 CGADHM Cc1cc([C@H](C)N(C)Cc2ccccc2)oc1C(=O)[O-] ZINC000576710469 335238580 /nfs/dbraw/zinc/23/85/80/335238580.db2.gz JVQYCHKTYRCIQK-LBPRGKRZSA-N -1 3 273.332 3.479 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCC3(C2)CCCCC3)n1 ZINC000192602361 335281633 /nfs/dbraw/zinc/28/16/33/335281633.db2.gz LHLVKCAPGDVIBG-CYBMUJFWSA-N -1 3 275.396 3.208 20 0 CGADHM CC(=O)c1cccc(NC(=O)C2(C)CCCC2)c1[O-] ZINC000577437694 335352219 /nfs/dbraw/zinc/35/22/19/335352219.db2.gz GISYZOGGTCVGBG-UHFFFAOYSA-N -1 3 261.321 3.114 20 0 CGADHM CC(C)c1ccc(-c2nc(-c3cnccn3)no2)c([O-])c1 ZINC000350577236 335515883 /nfs/dbraw/zinc/51/58/83/335515883.db2.gz UTDOSHGWUYBQES-UHFFFAOYSA-N -1 3 282.303 3.023 20 0 CGADHM COc1cc(-c2noc(COc3ccccc3)n2)ccc1[O-] ZINC000350589628 335517181 /nfs/dbraw/zinc/51/71/81/335517181.db2.gz ZMTNATBLZHIYHP-UHFFFAOYSA-N -1 3 298.298 3.030 20 0 CGADHM CCOc1cc(-c2noc(CC3(C)CC3)n2)ccc1[O-] ZINC000350608605 335520261 /nfs/dbraw/zinc/52/02/61/335520261.db2.gz LCIADWHYGOAQLG-UHFFFAOYSA-N -1 3 274.320 3.184 20 0 CGADHM Cc1cccc(C)c1CC(=O)Nc1ccccc1[O-] ZINC000180146868 335554354 /nfs/dbraw/zinc/55/43/54/335554354.db2.gz GDKOLIWMZLOCMG-UHFFFAOYSA-N -1 3 255.317 3.190 20 0 CGADHM Cc1ncc(C(=O)Nc2cc(Cl)cc(C)c2[O-])c(C)n1 ZINC000180887127 335628264 /nfs/dbraw/zinc/62/82/64/335628264.db2.gz RMTRRXMTDPIWGZ-UHFFFAOYSA-N -1 3 291.738 3.013 20 0 CGADHM Cc1noc(C2CC2)c1[N-]C(=O)c1cnc2ccccc2n1 ZINC000183938592 335913547 /nfs/dbraw/zinc/91/35/47/335913547.db2.gz KYDGEJXQGKDWKL-UHFFFAOYSA-N -1 3 294.314 3.056 20 0 CGADHM O=C([O-])c1ccc(CN2CCCC3(CCCCC3)C2)nc1 ZINC000581255776 336033049 /nfs/dbraw/zinc/03/30/49/336033049.db2.gz ICBLNROGDAMAFO-UHFFFAOYSA-N -1 3 288.391 3.326 20 0 CGADHM Cc1cccc(-c2nc(-c3ccc(O)c(C)c3)no2)c1[O-] ZINC000581349529 336057088 /nfs/dbraw/zinc/05/70/88/336057088.db2.gz FASXFWGYQDQKRO-UHFFFAOYSA-N -1 3 282.299 3.432 20 0 CGADHM CCC(C)(C)[C@@H]1CCCN1Cc1nc(C(=O)[O-])cs1 ZINC000581613135 336112471 /nfs/dbraw/zinc/11/24/71/336112471.db2.gz SDZFNOSUBVRLJM-NSHDSACASA-N -1 3 282.409 3.242 20 0 CGADHM COc1cccc(C(=O)N[C@H](C)CCC(C)(C)C)c1[O-] ZINC000386078913 336166038 /nfs/dbraw/zinc/16/60/38/336166038.db2.gz DQEUZUGRONJMDM-LLVKDONJSA-N -1 3 279.380 3.345 20 0 CGADHM Cc1ccc(CC[C@@H](C)NC(=O)c2ccccc2[O-])o1 ZINC000436583393 533819339 /nfs/dbraw/zinc/81/93/39/533819339.db2.gz JXWXCSKBYWKOAS-LLVKDONJSA-N -1 3 273.332 3.045 20 0 CGADHM Cc1noc([N-]C(=O)[C@H](C)Oc2ccc(Cl)cc2)c1C ZINC000436885866 534432242 /nfs/dbraw/zinc/43/22/42/534432242.db2.gz PTHMUBQYBUCHKE-JTQLQIEISA-N -1 3 294.738 3.351 20 0 CGADHM CCO[N-]C(=O)Nc1cc(Cl)ccc1N1CCCCC1 ZINC000183877867 520234433 /nfs/dbraw/zinc/23/44/33/520234433.db2.gz BWXGVAYMQAUANH-UHFFFAOYSA-N -1 3 297.786 3.403 20 0 CGADHM CCC[C@@H](C(=O)Nc1cc(F)ccc1[O-])c1ccccn1 ZINC000339352478 520595764 /nfs/dbraw/zinc/59/57/64/520595764.db2.gz BBJXRXPJDUKPNL-GFCCVEGCSA-N -1 3 288.322 3.449 20 0 CGADHM O=C([O-])[C@@H](NCc1ccc(Cl)s1)c1ccc(F)cc1 ZINC000426777819 534514870 /nfs/dbraw/zinc/51/48/70/534514870.db2.gz QYUQSOBBARWKBW-LBPRGKRZSA-N -1 3 299.754 3.456 20 0 CGADHM CCC[C@@H](NCc1csc(-c2cccs2)n1)C(=O)[O-] ZINC000185048795 520781606 /nfs/dbraw/zinc/78/16/06/520781606.db2.gz AQJJJLSNLBBUGR-SNVBAGLBSA-N -1 3 296.417 3.215 20 0 CGADHM COc1ccc([O-])c(C(=O)N(C)Cc2ccc(C)s2)c1 ZINC000102736013 524723940 /nfs/dbraw/zinc/72/39/40/524723940.db2.gz IQZMGKNYOUSNLM-UHFFFAOYSA-N -1 3 291.372 3.043 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)CCCOC(C)C)c1[O-] ZINC000183786961 524875692 /nfs/dbraw/zinc/87/56/92/524875692.db2.gz AJMKMJCJWMUDPM-UHFFFAOYSA-N -1 3 285.771 3.498 20 0 CGADHM Cc1ccc(C(=O)N[C@@H](C)C2CCCCC2)c([O-])c1 ZINC000052343695 526193823 /nfs/dbraw/zinc/19/38/23/526193823.db2.gz CXJFNWJHAQDOAT-LBPRGKRZSA-N -1 3 261.365 3.399 20 0 CGADHM CN(Cc1ccc(Cl)cc1)Cc1ncccc1[O-] ZINC000517202570 536468398 /nfs/dbraw/zinc/46/83/98/536468398.db2.gz MKGFZEZCIMYKGJ-UHFFFAOYSA-N -1 3 262.740 3.073 20 0 CGADHM O=[S@@](Cc1cc(-c2ccccc2)on1)c1ccc([O-])cc1 ZINC000108083624 527420575 /nfs/dbraw/zinc/42/05/75/527420575.db2.gz JBVKDHJTLSOYTN-OAQYLSRUSA-N -1 3 299.351 3.355 20 0 CGADHM CC(C)(C)C(C)(C)[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000431596779 527620554 /nfs/dbraw/zinc/62/05/54/527620554.db2.gz QCRKSOYKUPLMDB-UHFFFAOYSA-N -1 3 291.363 3.068 20 0 CGADHM CCC[C@@H]1SCCN1C(=O)c1ccc(CC)cc1[O-] ZINC000436833415 527872453 /nfs/dbraw/zinc/87/24/53/527872453.db2.gz LKZUMERXQRVHRP-AWEZNQCLSA-N -1 3 279.405 3.270 20 0 CGADHM CC(C)c1ccc(C(=O)N2CC[C@H](C)[C@H]2C)c([O-])c1 ZINC000436570451 528064791 /nfs/dbraw/zinc/06/47/91/528064791.db2.gz QKHORULMYSSTSR-NWDGAFQWSA-N -1 3 261.365 3.386 20 0 CGADHM CC(C)c1ccc(C(=O)N[C@@H]2CC[C@@H](F)C2)c([O-])c1 ZINC000436745128 528077167 /nfs/dbraw/zinc/07/71/67/528077167.db2.gz SGZKXTJGJNCQTC-VXGBXAGGSA-N -1 3 265.328 3.136 20 0 CGADHM CC(C)c1ccc(C(=O)N[C@H](C)C[C@@H]2CCCO2)c([O-])c1 ZINC000436721116 528077484 /nfs/dbraw/zinc/07/74/84/528077484.db2.gz GLMWKXDJLURPQP-OCCSQVGLSA-N -1 3 291.391 3.203 20 0 CGADHM CC(C)c1ccc(C(=O)N[C@H](C)c2ccccn2)c([O-])c1 ZINC000436930568 528078808 /nfs/dbraw/zinc/07/88/08/528078808.db2.gz YCWUCAYPAFJMIZ-GFCCVEGCSA-N -1 3 284.359 3.402 20 0 CGADHM CCCCCN(CCCOC)C(=O)c1ccc(C)cc1[O-] ZINC000436916834 528169939 /nfs/dbraw/zinc/16/99/39/528169939.db2.gz VNAXMQJZUSITFK-UHFFFAOYSA-N -1 3 293.407 3.370 20 0 CGADHM CCOc1cc(CN[C@H](C)C(F)(F)F)cc(Cl)c1[O-] ZINC000425359205 528283228 /nfs/dbraw/zinc/28/32/28/528283228.db2.gz VPRYGFPBTITYSY-SSDOTTSWSA-N -1 3 297.704 3.485 20 0 CGADHM CC(C)C[C@@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC000163060694 528372080 /nfs/dbraw/zinc/37/20/80/528372080.db2.gz WFKMSGYGRKSPHL-ZDUSSCGKSA-N -1 3 261.365 3.433 20 0 CGADHM CCC[C@H]1SCCN1C(=O)c1ccc([O-])c(CC)c1 ZINC000436698431 528441206 /nfs/dbraw/zinc/44/12/06/528441206.db2.gz MLVMGYIPKZIVQA-CQSZACIVSA-N -1 3 279.405 3.270 20 0 CGADHM CCOc1ccc(CNC(=O)c2cc(C)ccc2[O-])cc1 ZINC000436761156 528453355 /nfs/dbraw/zinc/45/33/55/528453355.db2.gz WQZCPWAOGGXRHH-UHFFFAOYSA-N -1 3 285.343 3.029 20 0 CGADHM CCCc1cc(C(=O)Nc2c(C)cccc2[O-])ccn1 ZINC000436704512 528593559 /nfs/dbraw/zinc/59/35/59/528593559.db2.gz JZOOWOXTGGWICB-UHFFFAOYSA-N -1 3 270.332 3.300 20 0 CGADHM CCOc1ccc([C@@H]2C[C@H]2NC(=O)c2ccccc2[O-])cc1 ZINC000437227236 528603769 /nfs/dbraw/zinc/60/37/69/528603769.db2.gz RDZNXMOUFFEHBB-JKSUJKDBSA-N -1 3 297.354 3.077 20 0 CGADHM CCOc1cccc(CNC(=O)c2ccc(C)cc2[O-])c1 ZINC000436567373 528651570 /nfs/dbraw/zinc/65/15/70/528651570.db2.gz XGLWUJZFBIPKEE-UHFFFAOYSA-N -1 3 285.343 3.029 20 0 CGADHM CC(F)(F)C(=O)[N-][C@@H](c1ccco1)c1ccccc1 ZINC000367291905 528711558 /nfs/dbraw/zinc/71/15/58/528711558.db2.gz WPXOBCILIRQTQL-GFCCVEGCSA-N -1 3 265.259 3.140 20 0 CGADHM CCOc1ccccc1CCNC(=O)c1ccc(C)cc1[O-] ZINC000436853998 528719175 /nfs/dbraw/zinc/71/91/75/528719175.db2.gz RJWHVQWUVAFFRR-UHFFFAOYSA-N -1 3 299.370 3.072 20 0 CGADHM CCCSC[C@H](NCc1ccccc1Cl)C(=O)[O-] ZINC000426766549 528830962 /nfs/dbraw/zinc/83/09/62/528830962.db2.gz FLXNCNQODJCMEA-LBPRGKRZSA-N -1 3 287.812 3.026 20 0 CGADHM CCCC[C@@H](NC(=O)c1ccc(O)cc1[O-])C1CCC1 ZINC000439057342 528846374 /nfs/dbraw/zinc/84/63/74/528846374.db2.gz KEYYQTNSKQNTCZ-CQSZACIVSA-N -1 3 277.364 3.187 20 0 CGADHM CCCC[C@H](C)N(C)C(=O)c1ccc(OC)cc1[O-] ZINC000291829095 528891350 /nfs/dbraw/zinc/89/13/50/528891350.db2.gz ZLJGXYGKGBYWDB-NSHDSACASA-N -1 3 265.353 3.052 20 0 CGADHM CC(C)[C@H](C(=O)[O-])[C@H](C)NCc1ncc(C(C)(C)C)s1 ZINC000424626616 528930565 /nfs/dbraw/zinc/93/05/65/528930565.db2.gz UIOJVUQYWWYQLX-GWCFXTLKSA-N -1 3 298.452 3.276 20 0 CGADHM CCC[C@@H](CCO)CNC(=O)c1ccc(C(C)C)cc1[O-] ZINC000436582991 528935600 /nfs/dbraw/zinc/93/56/00/528935600.db2.gz FPFYUVPAOZLCIS-ZDUSSCGKSA-N -1 3 293.407 3.044 20 0 CGADHM CC1(C)CCC[C@H](NC(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000443171395 528984373 /nfs/dbraw/zinc/98/43/73/528984373.db2.gz NDHHIGDDPDDEAY-LBPRGKRZSA-N -1 3 294.370 3.299 20 0 CGADHM CCS[C@@H]1CC[C@H](N(C)C(=O)c2cc(C)ccc2[O-])C1 ZINC000175393289 529221435 /nfs/dbraw/zinc/22/14/35/529221435.db2.gz CRGOLIACHQBBSK-QWHCGFSZSA-N -1 3 293.432 3.447 20 0 CGADHM CCS[C@@H]1CC[C@H](N(C)C(=O)c2ccc([O-])c(C)c2)C1 ZINC000436927491 529221479 /nfs/dbraw/zinc/22/14/79/529221479.db2.gz OEFJEUJPKYXROJ-UONOGXRCSA-N -1 3 293.432 3.447 20 0 CGADHM CC[C@H](CC1CCCC1)C(=O)Nc1nnc(SC)[n-]1 ZINC000358845697 529321197 /nfs/dbraw/zinc/32/11/97/529321197.db2.gz GIRMOJZGVQQRQD-SNVBAGLBSA-N -1 3 282.413 3.072 20 0 CGADHM CC[C@H](CC1CCCC1)C(=O)Nc1nc(SC)n[n-]1 ZINC000358845697 529321198 /nfs/dbraw/zinc/32/11/98/529321198.db2.gz GIRMOJZGVQQRQD-SNVBAGLBSA-N -1 3 282.413 3.072 20 0 CGADHM CC[C@H](CC1CCCC1)C(=O)Nc1n[n-]c(SC)n1 ZINC000358845697 529321200 /nfs/dbraw/zinc/32/12/00/529321200.db2.gz GIRMOJZGVQQRQD-SNVBAGLBSA-N -1 3 282.413 3.072 20 0 CGADHM CC1(C)CCCCN(C(=O)Cc2ccc([O-])c(F)c2)C1 ZINC000451001528 535292879 /nfs/dbraw/zinc/29/28/79/535292879.db2.gz RJUFBRYCZZGGPZ-UHFFFAOYSA-N -1 3 279.355 3.113 20 0 CGADHM CC(C)=CCC[C@H](C)NC(=O)/C=C\c1cncc([O-])c1 ZINC000493634979 535365256 /nfs/dbraw/zinc/36/52/56/535365256.db2.gz UKIYTLGSGPZYFY-WSROAFLRSA-N -1 3 274.364 3.052 20 0 CGADHM CCOc1cc(CN2CCOC[C@@H]2CC)cc(Cl)c1[O-] ZINC000459333032 535672200 /nfs/dbraw/zinc/67/22/00/535672200.db2.gz YFHPOPKHTRPUEH-LBPRGKRZSA-N -1 3 299.798 3.055 20 0 CGADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1F)C(C)(C)C ZINC000517962963 535807214 /nfs/dbraw/zinc/80/72/14/535807214.db2.gz UWXOKUDSQBVEKT-GFCCVEGCSA-N -1 3 291.363 3.068 20 0 CGADHM CC[C@@](C)(CO)C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000518794426 535989265 /nfs/dbraw/zinc/98/92/65/535989265.db2.gz DCPKTLHETLREOW-INIZCTEOSA-N -1 3 279.380 3.037 20 0 CGADHM CCc1cc(C(=O)N2C[C@@H]3CCCC[C@@H]3C2)ccc1[O-] ZINC000456161226 536116290 /nfs/dbraw/zinc/11/62/90/536116290.db2.gz WBLSISFJJIYXHH-GASCZTMLSA-N -1 3 273.376 3.217 20 0 CGADHM CCc1cc(C(=O)N[C@@H]2C[C@@H]2c2cccc(F)c2)ccc1[O-] ZINC000486138437 536127528 /nfs/dbraw/zinc/12/75/28/536127528.db2.gz PSLFAGVSISBUNC-HZPDHXFCSA-N -1 3 299.345 3.380 20 0 CGADHM CCc1cc(C(=O)Nc2cc3n[nH]cc3c(C)c2)ccc1[O-] ZINC000486899346 536133675 /nfs/dbraw/zinc/13/36/75/536133675.db2.gz QNGYOKDFENVVGN-UHFFFAOYSA-N -1 3 295.342 3.392 20 0 CGADHM CCc1cc(=O)[n-]c(CSCc2ccc(C)cc2)n1 ZINC000477353621 536154793 /nfs/dbraw/zinc/15/47/93/536154793.db2.gz TWSCJEIMSGPZME-UHFFFAOYSA-N -1 3 274.389 3.486 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2C[C@@H](C3CC3)[C@@H]2C2CC2)c1 ZINC000456275491 536190824 /nfs/dbraw/zinc/19/08/24/536190824.db2.gz HDUUIKHYMOVDGK-RDJZCZTQSA-N -1 3 285.387 3.215 20 0 CGADHM C[C@@H]1C[C@H](C)N1C(=O)c1cc([O-])c2ccccc2c1 ZINC000336344882 571802972 /nfs/dbraw/zinc/80/29/72/571802972.db2.gz ROFKTZVJNYPHAY-PHIMTYICSA-N -1 3 255.317 3.168 20 0 CGADHM Cc1ncsc1CCOC(=O)c1cc2ccsc2[n-]1 ZINC000729070603 571864856 /nfs/dbraw/zinc/86/48/56/571864856.db2.gz BQQPIYKUGMZDBD-UHFFFAOYSA-N -1 3 292.385 3.394 20 0 CGADHM Cc1c(NC(=O)c2cc3occc3[n-]2)n[nH]c1C(F)(F)F ZINC000750857070 572329721 /nfs/dbraw/zinc/32/97/21/572329721.db2.gz QOPLYHBPEFLVTF-UHFFFAOYSA-N -1 3 298.224 3.064 20 0 CGADHM Cc1ccc(OCc2ccc(F)cc2-c2nnn[n-]2)cc1C ZINC000737365804 572338914 /nfs/dbraw/zinc/33/89/14/572338914.db2.gz LNZCFJFXCWNDPU-UHFFFAOYSA-N -1 3 298.321 3.202 20 0 CGADHM Cc1ccc(OCc2ccc(F)cc2-c2nn[n-]n2)cc1C ZINC000737365804 572338916 /nfs/dbraw/zinc/33/89/16/572338916.db2.gz LNZCFJFXCWNDPU-UHFFFAOYSA-N -1 3 298.321 3.202 20 0 CGADHM Cc1cccc(NCc2ccc(-c3nnn[n-]3)cc2)c1C ZINC000737399907 572339809 /nfs/dbraw/zinc/33/98/09/572339809.db2.gz OLPILHLDJLOIOF-UHFFFAOYSA-N -1 3 279.347 3.096 20 0 CGADHM Cc1cccc(NCc2ccc(-c3nn[n-]n3)cc2)c1C ZINC000737399907 572339810 /nfs/dbraw/zinc/33/98/10/572339810.db2.gz OLPILHLDJLOIOF-UHFFFAOYSA-N -1 3 279.347 3.096 20 0 CGADHM C[C@@H](NC(=O)[O-])C1CCN([C@@H](C)c2ccccc2F)CC1 ZINC000739021875 572399264 /nfs/dbraw/zinc/39/92/64/572399264.db2.gz DGVXODFMNREBSH-NEPJUHHUSA-N -1 3 294.370 3.255 20 0 CGADHM CC(C)c1ocnc1C(=O)[N-]c1c(F)cccc1F ZINC000731901524 572435947 /nfs/dbraw/zinc/43/59/47/572435947.db2.gz IJTUKCPQODJQJV-UHFFFAOYSA-N -1 3 266.247 3.329 20 0 CGADHM COc1cccc([C@H](CC(=O)[O-])NCc2ccc(C)cc2)c1 ZINC000205135358 572510807 /nfs/dbraw/zinc/51/08/07/572510807.db2.gz ZMXRKDIDFPFZCM-KRWDZBQOSA-N -1 3 299.370 3.309 20 0 CGADHM Cc1nc(CCC(=O)Nc2cc(Cl)ccc2[O-])cs1 ZINC000733359442 572558933 /nfs/dbraw/zinc/55/89/33/572558933.db2.gz AYSXCCXZMFZPFD-UHFFFAOYSA-N -1 3 296.779 3.382 20 0 CGADHM Cc1nn(-c2ccccc2)c(C)c1C=Cc1nccc(=O)[n-]1 ZINC000742219800 572559346 /nfs/dbraw/zinc/55/93/46/572559346.db2.gz FKCNDWUYPKPWQF-CMDGGOBGSA-N -1 3 292.342 3.155 20 0 CGADHM Clc1cc(-c2nc(-c3cccnc3)no2)[n-]c1Cl ZINC000733733174 572599715 /nfs/dbraw/zinc/59/97/15/572599715.db2.gz PSKFAYVFFDITQV-UHFFFAOYSA-N -1 3 281.102 3.434 20 0 CGADHM C[C@H]([N-]C(=O)C(F)(F)c1ccc(F)cc1)c1ccccn1 ZINC000743722679 572681139 /nfs/dbraw/zinc/68/11/39/572681139.db2.gz YDSLDJXBDOLARW-JTQLQIEISA-N -1 3 294.276 3.190 20 0 CGADHM Cc1ccc2oc(C(=O)[N-]c3nc(C4CC4)no3)cc2c1 ZINC000734875724 572690108 /nfs/dbraw/zinc/69/01/08/572690108.db2.gz DGBKJULVSLYTEN-UHFFFAOYSA-N -1 3 283.287 3.254 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-][C@H]2[C@H](C)CCC[C@@H]2C)c(F)c1 ZINC000735082811 572700205 /nfs/dbraw/zinc/70/02/05/572700205.db2.gz QSHRFALLTZRACB-JYAVWHMHSA-N -1 3 299.411 3.237 20 0 CGADHM C[C@@H](Sc1ccc(-c2nnn[n-]2)cn1)c1cccs1 ZINC000736190696 572771514 /nfs/dbraw/zinc/77/15/14/572771514.db2.gz GWAMIHSMNKUTFO-MRVPVSSYSA-N -1 3 289.389 3.177 20 0 CGADHM C[C@@H](Sc1ccc(-c2nn[n-]n2)cn1)c1cccs1 ZINC000736190696 572771516 /nfs/dbraw/zinc/77/15/16/572771516.db2.gz GWAMIHSMNKUTFO-MRVPVSSYSA-N -1 3 289.389 3.177 20 0 CGADHM C[C@@H]1CCCC[C@@H]1CC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000736264123 572778245 /nfs/dbraw/zinc/77/82/45/572778245.db2.gz UKANDSHICFHEOV-VXGBXAGGSA-N -1 3 299.378 3.022 20 0 CGADHM C[C@@H]1CCCC[C@@H]1CC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000736264123 572778248 /nfs/dbraw/zinc/77/82/48/572778248.db2.gz UKANDSHICFHEOV-VXGBXAGGSA-N -1 3 299.378 3.022 20 0 CGADHM C[C@H](N[C@@H](COCc1ccccc1)c1ccccc1)C(=O)[O-] ZINC000736661069 572803462 /nfs/dbraw/zinc/80/34/62/572803462.db2.gz DADNUIUXMJWPRF-YOEHRIQHSA-N -1 3 299.370 3.007 20 0 CGADHM CSCC[C@H](C)NC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000736710526 572806321 /nfs/dbraw/zinc/80/63/21/572806321.db2.gz HWWASEHDIBJHGD-NSHDSACASA-N -1 3 293.432 3.142 20 0 CGADHM CN(CC(C)(C)C)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736787948 572812975 /nfs/dbraw/zinc/81/29/75/572812975.db2.gz HRAYOHLALALSIL-UHFFFAOYSA-N -1 3 279.775 3.002 20 0 CGADHM CN(CC(C)(C)C)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736787948 572812978 /nfs/dbraw/zinc/81/29/78/572812978.db2.gz HRAYOHLALALSIL-UHFFFAOYSA-N -1 3 279.775 3.002 20 0 CGADHM C[C@H]1Cc2ccccc2CN1Cc1ccc(C(=O)[O-])cc1 ZINC000736823113 572819033 /nfs/dbraw/zinc/81/90/33/572819033.db2.gz AHWKDBHBAFBGIB-ZDUSSCGKSA-N -1 3 281.355 3.332 20 0 CGADHM CC[C@@H](N[C@@H]1CCCN(C(=O)[O-])C1)c1ccc(F)cc1 ZINC000736920698 572825360 /nfs/dbraw/zinc/82/53/60/572825360.db2.gz YJUAUCUQNJSWNP-ZIAGYGMSSA-N -1 3 280.343 3.009 20 0 CGADHM Cc1noc(C(F)(F)F)c1C(=O)[N-]c1ccccc1F ZINC000746015365 572847466 /nfs/dbraw/zinc/84/74/66/572847466.db2.gz UTMOUUQEIIGBQP-UHFFFAOYSA-N -1 3 288.200 3.393 20 0 CGADHM O=C(Nc1ccc(Br)cc1[O-])[C@@H]1CC=CCC1 ZINC000075472661 572878180 /nfs/dbraw/zinc/87/81/80/572878180.db2.gz NKULTLMDRKFDRP-SECBINFHSA-N -1 3 296.164 3.450 20 0 CGADHM CCCCC(=O)Nc1ccc(Br)cc1[O-] ZINC000075472745 572878497 /nfs/dbraw/zinc/87/84/97/572878497.db2.gz HDIPHMZEVVTUQI-UHFFFAOYSA-N -1 3 272.142 3.283 20 0 CGADHM FC(F)(F)CCSCc1ccc(-c2nnn[n-]2)cc1 ZINC000737626031 599010141 /nfs/dbraw/zinc/01/01/41/599010141.db2.gz FGPKGEDUBBKKNX-UHFFFAOYSA-N -1 3 288.298 3.052 20 0 CGADHM FC(F)(F)CCSCc1ccc(-c2nn[n-]n2)cc1 ZINC000737626031 599010142 /nfs/dbraw/zinc/01/01/42/599010142.db2.gz FGPKGEDUBBKKNX-UHFFFAOYSA-N -1 3 288.298 3.052 20 0 CGADHM CCC1(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)CCCC1 ZINC000820945483 607294072 /nfs/dbraw/zinc/29/40/72/607294072.db2.gz UMZKQSHVGBBKKI-UHFFFAOYSA-N -1 3 299.378 3.084 20 0 CGADHM CCC1(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)CCCC1 ZINC000820945483 607294073 /nfs/dbraw/zinc/29/40/73/607294073.db2.gz UMZKQSHVGBBKKI-UHFFFAOYSA-N -1 3 299.378 3.084 20 0 CGADHM COc1cccc([C@H](C)NCc2ccc(C(=O)[O-])cc2)c1 ZINC000087846639 597493285 /nfs/dbraw/zinc/49/32/85/597493285.db2.gz FVAYALQRHMXTTG-LBPRGKRZSA-N -1 3 285.343 3.244 20 0 CGADHM O=C([O-])c1cccc(CNCc2cnc3ccccc3c2)c1 ZINC000821552811 598194514 /nfs/dbraw/zinc/19/45/14/598194514.db2.gz TUZNUHYMASVFAP-UHFFFAOYSA-N -1 3 292.338 3.223 20 0 CGADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1NC1CCCC1 ZINC000737627330 598274369 /nfs/dbraw/zinc/27/43/69/598274369.db2.gz PQZMTTHTHRFXNB-UHFFFAOYSA-N -1 3 297.284 3.240 20 0 CGADHM CCC(CC)Nc1cccc(Cl)c1-c1nnn[n-]1 ZINC000820897522 599357943 /nfs/dbraw/zinc/35/79/43/599357943.db2.gz IHAAGMHTCDGSPG-UHFFFAOYSA-N -1 3 265.748 3.121 20 0 CGADHM CCC(CC)Nc1cccc(Cl)c1-c1nn[n-]n1 ZINC000820897522 599357946 /nfs/dbraw/zinc/35/79/46/599357946.db2.gz IHAAGMHTCDGSPG-UHFFFAOYSA-N -1 3 265.748 3.121 20 0 CGADHM CC(C)(C)CCNc1c(Cl)cccc1-c1nnn[n-]1 ZINC000819913672 599470591 /nfs/dbraw/zinc/47/05/91/599470591.db2.gz ATMHQIRHCZPNFA-UHFFFAOYSA-N -1 3 279.775 3.368 20 0 CGADHM CC(C)(C)CCNc1c(Cl)cccc1-c1nn[n-]n1 ZINC000819913672 599470593 /nfs/dbraw/zinc/47/05/93/599470593.db2.gz ATMHQIRHCZPNFA-UHFFFAOYSA-N -1 3 279.775 3.368 20 0 CGADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C1CCC1 ZINC000824649530 607903565 /nfs/dbraw/zinc/90/35/65/607903565.db2.gz NIFMPUVRWNWERQ-MRVPVSSYSA-N -1 3 277.759 3.121 20 0 CGADHM C/C(=C/CN1CCSC[C@@H]1c1ccc(C)cc1)C(=O)[O-] ZINC000825745888 601168442 /nfs/dbraw/zinc/16/84/42/601168442.db2.gz CWOJYQYWHFNRNL-LPYTZGJOSA-N -1 3 291.416 3.116 20 0 CGADHM Cc1[n-]n(-c2ccnc(C(F)(F)F)c2)c(=O)c1C(C)C ZINC000899353294 620649599 /nfs/dbraw/zinc/64/95/99/620649599.db2.gz MUCRZNNSPCNDLL-LLVKDONJSA-N -1 3 285.269 3.095 20 0 CGADHM CC[C@H](C)CN1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC000828746947 601822738 /nfs/dbraw/zinc/82/27/38/601822738.db2.gz KAFZMUSDWYUGHP-NSHDSACASA-N -1 3 286.375 3.270 20 0 CGADHM O=C([O-])c1ccc(CNC2(c3ccc(F)cc3)CC2)s1 ZINC000833315272 601954272 /nfs/dbraw/zinc/95/42/72/601954272.db2.gz ZHCRWJWXDCLGHS-UHFFFAOYSA-N -1 3 291.347 3.364 20 0 CGADHM C[C@H]1Cc2ccccc2CN1Cc1ccc(C(=O)[O-])s1 ZINC000828516981 601958871 /nfs/dbraw/zinc/95/88/71/601958871.db2.gz WDYXTFYUHDUWII-NSHDSACASA-N -1 3 287.384 3.393 20 0 CGADHM CCC1CCC(NC/C(Cl)=C/Cl)(C(=O)[O-])CC1 ZINC000829107121 602049014 /nfs/dbraw/zinc/04/90/14/602049014.db2.gz HJPYNPCAJDUIMH-YFHOEESVSA-N -1 3 280.195 3.319 20 0 CGADHM CCCCc1nc(CN[C@@](C)(CC)CC(=O)[O-])cs1 ZINC000829441079 602216805 /nfs/dbraw/zinc/21/68/05/602216805.db2.gz QVIKGFZPFJNATD-AWEZNQCLSA-N -1 3 284.425 3.219 20 0 CGADHM Cc1[n-]n([C@@H](C)c2ccc(C(C)C)cc2)c(=O)c1F ZINC000899359697 620663136 /nfs/dbraw/zinc/66/31/36/620663136.db2.gz FLWFQVUROXOOAO-FZMZJTMJSA-N -1 3 262.328 3.427 20 0 CGADHM CC[C@@H](N[C@H]1CCCN(C(=O)[O-])C1)c1cc(F)ccc1F ZINC000828982734 604287677 /nfs/dbraw/zinc/28/76/77/604287677.db2.gz IFUIPSSLPAIEOV-SMDDNHRTSA-N -1 3 298.333 3.148 20 0 CGADHM CC(C)N(Cc1ccco1)Cc1ccccc1CC(=O)[O-] ZINC000833499810 605064948 /nfs/dbraw/zinc/06/49/48/605064948.db2.gz ZFDVEOSBXHYUMU-UHFFFAOYSA-N -1 3 287.359 3.317 20 0 CGADHM CCc1onc(C)c1C=Cc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000899386337 620681986 /nfs/dbraw/zinc/68/19/86/620681986.db2.gz ZIAOXQGGGBXNAE-PLNGDYQASA-N -1 3 299.252 3.230 20 0 CGADHM O=C([O-])Nc1ccc2c(c1)CC[C@H]2NCc1cccc(O)c1 ZINC000834262114 605602600 /nfs/dbraw/zinc/60/26/00/605602600.db2.gz HOUYOHFYSPJOJG-MRXNPFEDSA-N -1 3 298.342 3.259 20 0 CGADHM O=C([O-])NC1CCN([C@@H]2CCc3c2cccc3Cl)CC1 ZINC000834183482 605872769 /nfs/dbraw/zinc/87/27/69/605872769.db2.gz OKWKASUSRNVOGM-CQSZACIVSA-N -1 3 294.782 3.059 20 0 CGADHM c1sc(CNc2ccc3c(c2)CCC3)cc1-c1nnn[n-]1 ZINC000823766879 606213869 /nfs/dbraw/zinc/21/38/69/606213869.db2.gz KWVMEMMQZTVZJJ-UHFFFAOYSA-N -1 3 297.387 3.029 20 0 CGADHM c1sc(CNc2ccc3c(c2)CCC3)cc1-c1nn[n-]n1 ZINC000823766879 606213870 /nfs/dbraw/zinc/21/38/70/606213870.db2.gz KWVMEMMQZTVZJJ-UHFFFAOYSA-N -1 3 297.387 3.029 20 0 CGADHM CCC[C@@H](C)Sc1nc(C)cc(C)c1-c1nnn[n-]1 ZINC000821014275 606327368 /nfs/dbraw/zinc/32/73/68/606327368.db2.gz CXICLMXVOZFKAA-SNVBAGLBSA-N -1 3 277.397 3.159 20 0 CGADHM CCC[C@@H](C)Sc1nc(C)cc(C)c1-c1nn[n-]n1 ZINC000821014275 606327369 /nfs/dbraw/zinc/32/73/69/606327369.db2.gz CXICLMXVOZFKAA-SNVBAGLBSA-N -1 3 277.397 3.159 20 0 CGADHM Cc1cc(C)cc(NCc2ccc(-c3nnn[n-]3)s2)c1 ZINC000822196270 606411793 /nfs/dbraw/zinc/41/17/93/606411793.db2.gz BVBJBDWLSCAWHE-UHFFFAOYSA-N -1 3 285.376 3.157 20 0 CGADHM CCC1(CNc2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000820962265 606427666 /nfs/dbraw/zinc/42/76/66/606427666.db2.gz LVPPLLIJUXYVFX-UHFFFAOYSA-N -1 3 277.759 3.122 20 0 CGADHM CCC1(CNc2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000820962265 606427668 /nfs/dbraw/zinc/42/76/68/606427668.db2.gz LVPPLLIJUXYVFX-UHFFFAOYSA-N -1 3 277.759 3.122 20 0 CGADHM CC[C@@H](C)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820875449 606438155 /nfs/dbraw/zinc/43/81/55/606438155.db2.gz ALEMAJHYBLDKOP-SSDOTTSWSA-N -1 3 285.273 3.096 20 0 CGADHM CC[C@@H](C)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820875449 606438157 /nfs/dbraw/zinc/43/81/57/606438157.db2.gz ALEMAJHYBLDKOP-SSDOTTSWSA-N -1 3 285.273 3.096 20 0 CGADHM Cc1cc(Cl)ccc1NCc1ccccc1-c1nnn[n-]1 ZINC000822202115 606635967 /nfs/dbraw/zinc/63/59/67/606635967.db2.gz LREZQFRKGILHPC-UHFFFAOYSA-N -1 3 299.765 3.441 20 0 CGADHM Cc1cc(Cl)ccc1NCc1ccccc1-c1nn[n-]n1 ZINC000822202115 606635968 /nfs/dbraw/zinc/63/59/68/606635968.db2.gz LREZQFRKGILHPC-UHFFFAOYSA-N -1 3 299.765 3.441 20 0 CGADHM c1ccc2c(c1)CC(Sc1ccccc1-c1nnn[n-]1)C2 ZINC000823798772 606706885 /nfs/dbraw/zinc/70/68/85/606706885.db2.gz XXLTZWVEDRLYMK-UHFFFAOYSA-N -1 3 294.383 3.126 20 0 CGADHM c1ccc2c(c1)CC(Sc1ccccc1-c1nn[n-]n1)C2 ZINC000823798772 606706886 /nfs/dbraw/zinc/70/68/86/606706886.db2.gz XXLTZWVEDRLYMK-UHFFFAOYSA-N -1 3 294.383 3.126 20 0 CGADHM FC1(F)CC[C@H](Nc2c(Cl)cccc2-c2nnn[n-]2)C1 ZINC000822737287 606882035 /nfs/dbraw/zinc/88/20/35/606882035.db2.gz SZIUEVOXTAQVCV-ZETCQYMHSA-N -1 3 299.712 3.120 20 0 CGADHM FC1(F)CC[C@H](Nc2c(Cl)cccc2-c2nn[n-]n2)C1 ZINC000822737287 606882036 /nfs/dbraw/zinc/88/20/36/606882036.db2.gz SZIUEVOXTAQVCV-ZETCQYMHSA-N -1 3 299.712 3.120 20 0 CGADHM C[C@@H](Sc1cccc(-c2nnn[n-]2)c1)c1ccncc1 ZINC000820555230 607011787 /nfs/dbraw/zinc/01/17/87/607011787.db2.gz HLHKVFZURIBBGB-SNVBAGLBSA-N -1 3 283.360 3.115 20 0 CGADHM C[C@@H](Sc1cccc(-c2nn[n-]n2)c1)c1ccncc1 ZINC000820555230 607011788 /nfs/dbraw/zinc/01/17/88/607011788.db2.gz HLHKVFZURIBBGB-SNVBAGLBSA-N -1 3 283.360 3.115 20 0 CGADHM CC[C@H](C)Sc1ccc(-c2nnn[n-]2)cc1Cl ZINC000825075246 607843594 /nfs/dbraw/zinc/84/35/94/607843594.db2.gz NNNUSGLLCZVOMP-ZETCQYMHSA-N -1 3 268.773 3.411 20 0 CGADHM CC[C@H](C)Sc1ccc(-c2nn[n-]n2)cc1Cl ZINC000825075246 607843595 /nfs/dbraw/zinc/84/35/95/607843595.db2.gz NNNUSGLLCZVOMP-ZETCQYMHSA-N -1 3 268.773 3.411 20 0 CGADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C1CCC1 ZINC000824649530 607903564 /nfs/dbraw/zinc/90/35/64/607903564.db2.gz NIFMPUVRWNWERQ-MRVPVSSYSA-N -1 3 277.759 3.121 20 0 CGADHM Cc1ccccc1[C@@H](C)Nc1nc(-c2nnn[n-]2)ccc1C ZINC000826306253 608543763 /nfs/dbraw/zinc/54/37/63/608543763.db2.gz UNUSJHZIZLBMNC-GFCCVEGCSA-N -1 3 294.362 3.052 20 0 CGADHM Cc1cc(F)ccc1N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826268934 609267463 /nfs/dbraw/zinc/26/74/63/609267463.db2.gz TZYCIHQCVXGIGU-NSHDSACASA-N -1 3 297.337 3.487 20 0 CGADHM Cc1cc(F)ccc1N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826268934 609267464 /nfs/dbraw/zinc/26/74/64/609267464.db2.gz TZYCIHQCVXGIGU-NSHDSACASA-N -1 3 297.337 3.487 20 0 CGADHM Cc1cc(F)cc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826268432 609273929 /nfs/dbraw/zinc/27/39/29/609273929.db2.gz WWPCTOYBYVPOQJ-NSHDSACASA-N -1 3 297.337 3.487 20 0 CGADHM Cc1cc(F)cc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826268432 609273930 /nfs/dbraw/zinc/27/39/30/609273930.db2.gz WWPCTOYBYVPOQJ-NSHDSACASA-N -1 3 297.337 3.487 20 0 CGADHM Cc1cccc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000826299349 609346872 /nfs/dbraw/zinc/34/68/72/609346872.db2.gz AQJAQAMEJOCXHL-LLVKDONJSA-N -1 3 297.337 3.487 20 0 CGADHM Cc1cccc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000826299349 609346873 /nfs/dbraw/zinc/34/68/73/609346873.db2.gz AQJAQAMEJOCXHL-LLVKDONJSA-N -1 3 297.337 3.487 20 0 CGADHM C[C@@H]1CC=CC[C@H]1NC(=O)c1cc([O-])ccc1Cl ZINC000890766312 617823741 /nfs/dbraw/zinc/82/37/41/617823741.db2.gz DKGOZZNNSAGYSP-NOZJJQNGSA-N -1 3 265.740 3.130 20 0 CGADHM CC[C@]1(C)CCCN(C(=O)c2c([O-])cccc2OC)C1 ZINC000900885069 620818427 /nfs/dbraw/zinc/81/84/27/620818427.db2.gz IPQHCFNRNQCHAC-MRXNPFEDSA-N -1 3 277.364 3.053 20 0 CGADHM COc1ccc2cccc(CC(=O)[N-]OCC(C)C)c2c1 ZINC000161264592 618623307 /nfs/dbraw/zinc/62/33/07/618623307.db2.gz SWGUGSSBUWTTFQ-UHFFFAOYSA-N -1 3 287.359 3.095 20 0 CGADHM CS[C@@H]1CC[C@@H](NC(=O)c2cc([O-])ccc2Cl)C1 ZINC000235061022 618641531 /nfs/dbraw/zinc/64/15/31/618641531.db2.gz MXFBRNHELSAGKV-PSASIEDQSA-N -1 3 285.796 3.060 20 0 CGADHM CO[C@H](C/N=C/c1cc(Cl)ccc1[O-])C(C)C ZINC000075078328 618685572 /nfs/dbraw/zinc/68/55/72/618685572.db2.gz LCQLAGSCDFFUDI-BKNIFWKGSA-N -1 3 255.745 3.136 20 0 CGADHM CC(C)c1ocnc1C(=O)[N-]c1cc(C(F)(F)F)no1 ZINC000081757520 625283994 /nfs/dbraw/zinc/28/39/94/625283994.db2.gz QPOCPUYAIJHCGZ-UHFFFAOYSA-N -1 3 289.213 3.057 20 0 CGADHM CC(C)=C[C@H]1[C@H](C(=O)[N-]OCCC(F)(F)F)C1(C)C ZINC000162974618 618884479 /nfs/dbraw/zinc/88/44/79/618884479.db2.gz RLNPLVCYULSEPW-VHSXEESVSA-N -1 3 279.302 3.225 20 0 CGADHM CCc1ccc(C(=O)Nc2cc(F)ccc2[O-])s1 ZINC000174897354 618961122 /nfs/dbraw/zinc/96/11/22/618961122.db2.gz PFPQAKSDVLWMRO-UHFFFAOYSA-N -1 3 265.309 3.408 20 0 CGADHM CC(C)CO[N-]C(=O)CCc1ccc(C(F)F)cc1 ZINC000866897652 619349024 /nfs/dbraw/zinc/34/90/24/619349024.db2.gz ZRUQIYWKKKQCRU-UHFFFAOYSA-N -1 3 271.307 3.261 20 0 CGADHM CON(CC(C)(C)C)C(=O)c1ccc(C)c(C)c1[O-] ZINC000804584957 619398043 /nfs/dbraw/zinc/39/80/43/619398043.db2.gz SQTRIOOMSFOLPI-UHFFFAOYSA-N -1 3 265.353 3.059 20 0 CGADHM C[C@H]1CCN(C(=O)c2ccc(O)cc2[O-])[C@H]1c1ccccc1 ZINC000894302719 619476923 /nfs/dbraw/zinc/47/69/23/619476923.db2.gz ZFSSRWZGEQXWKD-YVEFUNNKSA-N -1 3 297.354 3.321 20 0 CGADHM O=C(Nc1ncccc1[O-])[C@H](c1ccncc1)C1CCCC1 ZINC000895486564 619837101 /nfs/dbraw/zinc/83/71/01/619837101.db2.gz GLHGDQJKVAIQRT-HNNXBMFYSA-N -1 3 297.358 3.095 20 0 CGADHM COC(C)(C)[C@@H](C)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000928602200 619930252 /nfs/dbraw/zinc/93/02/52/619930252.db2.gz JPGBEMHHJILULD-LLVKDONJSA-N -1 3 287.359 3.089 20 0 CGADHM Cc1ccc(-c2nc([C@@H]3CC3(Cl)Cl)no2)c([O-])c1 ZINC000896807790 620065675 /nfs/dbraw/zinc/06/56/75/620065675.db2.gz ZQTSYWJXUUGVFJ-QMMMGPOBSA-N -1 3 285.130 3.412 20 0 CGADHM O=C(CCC1CCCCCC1)[N-]OCc1ccccn1 ZINC000909544748 620086842 /nfs/dbraw/zinc/08/68/42/620086842.db2.gz SSJRGRKMXOLVHF-UHFFFAOYSA-N -1 3 276.380 3.380 20 0 CGADHM C/C(=C\C(C)(C)C)C(=O)Nc1cc(F)ccc1[O-] ZINC000185622139 625399515 /nfs/dbraw/zinc/39/95/15/625399515.db2.gz KXYGNKLFUQBEKI-CMDGGOBGSA-N -1 3 251.301 3.462 20 0 CGADHM CC[C@H](C)[C@H](NCc1csc(CCC(C)C)n1)C(=O)[O-] ZINC000263044743 620287330 /nfs/dbraw/zinc/28/73/30/620287330.db2.gz CTSIPWQJGCIFAS-FZMZJTMJSA-N -1 3 298.452 3.321 20 0 CGADHM C[C@H](CN(C)Cc1c(Cl)oc2ccccc21)C(=O)[O-] ZINC000263462634 620320334 /nfs/dbraw/zinc/32/03/34/620320334.db2.gz CCKSGLODSQWKAJ-SECBINFHSA-N -1 3 281.739 3.239 20 0 CGADHM Cc1cc(C)c(CC(=O)NCc2ccc([O-])c(F)c2)s1 ZINC000901131270 620835960 /nfs/dbraw/zinc/83/59/60/620835960.db2.gz LOHPCYSFQUNUQJ-UHFFFAOYSA-N -1 3 293.363 3.069 20 0 CGADHM CCc1cc(=O)[n-]c(CSC[C@H]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000901769101 621018637 /nfs/dbraw/zinc/01/86/37/621018637.db2.gz HVYPBWVJEBZMIB-GDNZZTSVSA-N -1 3 296.436 3.181 20 0 CGADHM Cc1ccc(CN2CC3(CCC3)[C@@](F)(C(=O)[O-])C2)cc1C ZINC000901915014 621062060 /nfs/dbraw/zinc/06/20/60/621062060.db2.gz LMTNMKDGPYDRAD-KRWDZBQOSA-N -1 3 291.366 3.082 20 0 CGADHM Cc1scc(CN2CC3(CCC3)[C@@](F)(C(=O)[O-])C2)c1C ZINC000901910499 621066946 /nfs/dbraw/zinc/06/69/46/621066946.db2.gz HSBUXUJWAKLPIH-HNNXBMFYSA-N -1 3 297.395 3.144 20 0 CGADHM Cc1cc(CN[C@H]2CS[C@H](C(C)(C)C)C2)oc1C(=O)[O-] ZINC000901939912 621071569 /nfs/dbraw/zinc/07/15/69/621071569.db2.gz XDBYJXBLCYSYMJ-PWSUYJOCSA-N -1 3 297.420 3.296 20 0 CGADHM Cc1cccc(C(C)(C)NCc2ccc(C(=O)[O-])o2)c1 ZINC000902285876 621227258 /nfs/dbraw/zinc/22/72/58/621227258.db2.gz JEOXDBOTSJUGDZ-UHFFFAOYSA-N -1 3 273.332 3.311 20 0 CGADHM COC[C@H](N[C@H](C)CC(C)(C)CC(=O)[O-])c1ccc(C)o1 ZINC000902271741 621235960 /nfs/dbraw/zinc/23/59/60/621235960.db2.gz KVUBALVKIYRBAM-YPMHNXCESA-N -1 3 297.395 3.145 20 0 CGADHM CC[C@@H](C)[C@H](C(=O)[O-])N(C)Cc1cc2ccccc2o1 ZINC000903597347 621774468 /nfs/dbraw/zinc/77/44/68/621774468.db2.gz LTJSSLMUIKVVOU-IAQYHMDHSA-N -1 3 275.348 3.364 20 0 CGADHM CC(C)(/C=C\Cl)NCc1ccc(C(=O)[O-])cc1 ZINC000903710573 621794905 /nfs/dbraw/zinc/79/49/05/621794905.db2.gz QVYYXWDGYZFUDP-FPLPWBNLSA-N -1 3 253.729 3.006 20 0 CGADHM CCC[C@]1(C)CCCN(Cc2cncc(C(=O)[O-])c2)C1 ZINC000903893884 621827311 /nfs/dbraw/zinc/82/73/11/621827311.db2.gz JTYIWCRXIZJGLB-MRXNPFEDSA-N -1 3 276.380 3.182 20 0 CGADHM O=C([O-])c1cncc(CN2CCCC3(CCCC3)CC2)c1 ZINC000903905012 621831605 /nfs/dbraw/zinc/83/16/05/621831605.db2.gz SVXADVBCLHAWSL-UHFFFAOYSA-N -1 3 288.391 3.326 20 0 CGADHM CCc1nc(CN2[C@H](C)C[C@H](C)[C@H](C(=O)[O-])[C@@H]2C)cs1 ZINC000903950558 621841089 /nfs/dbraw/zinc/84/10/89/621841089.db2.gz QRKVZJQZLPVBBD-MIJXAVMKSA-N -1 3 296.436 3.025 20 0 CGADHM CC(C)c1c[nH]c(CNCC2(CC(=O)[O-])CCCCC2)n1 ZINC000903988300 621847708 /nfs/dbraw/zinc/84/77/08/621847708.db2.gz BYSSNZZGEABYCG-UHFFFAOYSA-N -1 3 293.411 3.048 20 0 CGADHM [O-]c1ccc(Cc2nc(-c3ccccc3)no2)cc1F ZINC000904239346 621893620 /nfs/dbraw/zinc/89/36/20/621893620.db2.gz NIBKOLTWIQAXHW-UHFFFAOYSA-N -1 3 270.263 3.172 20 0 CGADHM COc1ccc(C)cc1CN[C@H](C(=O)[O-])c1cccc(C)c1 ZINC000904263462 621894258 /nfs/dbraw/zinc/89/42/58/621894258.db2.gz ZDJFKGBGTWUUSH-KRWDZBQOSA-N -1 3 299.370 3.228 20 0 CGADHM Cc1ccc(CN[C@@H](C(=O)[O-])c2cccc(C)c2C)c(C)n1 ZINC000905399066 622066678 /nfs/dbraw/zinc/06/66/78/622066678.db2.gz GNXLQWBDJAELFW-QGZVFWFLSA-N -1 3 298.386 3.231 20 0 CGADHM O=C([O-])C1(CCCCNCc2cc(C3CC3)no2)CCC1 ZINC000905809100 622112759 /nfs/dbraw/zinc/11/27/59/622112759.db2.gz YORWDKMUMAPOBR-UHFFFAOYSA-N -1 3 292.379 3.067 20 0 CGADHM Cc1ccc(CC(=O)[N-]OCc2cccc(C)c2)cc1 ZINC000156840492 622848455 /nfs/dbraw/zinc/84/84/55/622848455.db2.gz PTFPATSPIAONPU-UHFFFAOYSA-N -1 3 269.344 3.094 20 0 CGADHM Cc1noc(C)c1[N-]C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000063447640 623324753 /nfs/dbraw/zinc/32/47/53/623324753.db2.gz AVRHZYGVKLRRJM-UHFFFAOYSA-N -1 3 295.682 3.105 20 0 CGADHM C[C@H]1C[C@H](CC(=O)[N-]OCc2cccnc2)CC(C)(C)C1 ZINC000152447879 623662419 /nfs/dbraw/zinc/66/24/19/623662419.db2.gz AISFIRLVDWIFBH-DZGCQCFKSA-N -1 3 290.407 3.482 20 0 CGADHM CCOC(=O)CC[C@@H](C)/N=C/c1cc(Cl)ccc1[O-] ZINC000089574648 624025257 /nfs/dbraw/zinc/02/52/57/624025257.db2.gz AFINVZUUBTXSJT-VCBXAZPMSA-N -1 3 283.755 3.196 20 0 CGADHM CC/C=C/CCOC(=O)c1cc(-c2ccco2)[n-]n1 ZINC000918507272 624354513 /nfs/dbraw/zinc/35/45/13/624354513.db2.gz IXPBKFHPCYVSDY-ONEGZZNKSA-N -1 3 260.293 3.183 20 0 CGADHM CC/C=C/CCOC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000918507272 624354515 /nfs/dbraw/zinc/35/45/15/624354515.db2.gz IXPBKFHPCYVSDY-ONEGZZNKSA-N -1 3 260.293 3.183 20 0 CGADHM CCSCCO[N-]C(=O)Cc1cccc2ccccc21 ZINC000155087853 624422732 /nfs/dbraw/zinc/42/27/32/624422732.db2.gz ZORDBFIVMQVBGG-UHFFFAOYSA-N -1 3 289.400 3.183 20 0 CGADHM CCOc1cccc(CNCc2ccc(C(=O)[O-])s2)c1 ZINC000233790493 624647875 /nfs/dbraw/zinc/64/78/75/624647875.db2.gz PGDNBEVUNWQFAQ-UHFFFAOYSA-N -1 3 291.372 3.135 20 0 CGADHM [O-]c1ccc(Cl)cc1/C=N/CC[C@@H]1CCCCO1 ZINC000182203157 624955302 /nfs/dbraw/zinc/95/53/02/624955302.db2.gz YPBVLZYQRCVXNR-RKPNYOAGSA-N -1 3 267.756 3.424 20 0 CGADHM Cc1cncc([C@@H]2CCCN2Cc2ccc(C(=O)[O-])cc2)c1 ZINC000873648794 634469392 /nfs/dbraw/zinc/46/93/92/634469392.db2.gz OPGANAWMELEORV-KRWDZBQOSA-N -1 3 296.370 3.425 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)OCCCc1ccsc1 ZINC000838142768 626196436 /nfs/dbraw/zinc/19/64/36/626196436.db2.gz AQQAXTVYTPJNAO-UHFFFAOYSA-N -1 3 294.347 3.311 20 0 CGADHM O=C(OCC[C@H]1CCCCO1)c1cccc(Cl)c1[O-] ZINC000754877518 626591791 /nfs/dbraw/zinc/59/17/91/626591791.db2.gz FDOSBGIFSFRRGW-SNVBAGLBSA-N -1 3 284.739 3.162 20 0 CGADHM CCCCCCO[C@@H](C)C(=O)NCc1ccc([O-])c(F)c1 ZINC000839688762 626775473 /nfs/dbraw/zinc/77/54/73/626775473.db2.gz VYQWLCRANXFGJT-LBPRGKRZSA-N -1 3 297.370 3.133 20 0 CGADHM Cc1ccc(CC(=O)[N-]OCc2ccc(C)c(C)c2)cc1 ZINC000762211396 627101530 /nfs/dbraw/zinc/10/15/30/627101530.db2.gz OLRVAUDIUSIDKM-UHFFFAOYSA-N -1 3 283.371 3.402 20 0 CGADHM O=C(Nc1cccc([O-])c1F)c1c[nH]c2cccc(F)c12 ZINC000762320809 627105254 /nfs/dbraw/zinc/10/52/54/627105254.db2.gz KWHPHKUCTDHWFW-UHFFFAOYSA-N -1 3 288.253 3.404 20 0 CGADHM Cc1ccc(CCSCc2nc(C)cc(=O)[n-]2)cc1 ZINC000763208892 627145556 /nfs/dbraw/zinc/14/55/56/627145556.db2.gz OYLJCXBCZJRLKO-UHFFFAOYSA-N -1 3 274.389 3.275 20 0 CGADHM CCCC(=CC(=O)[N-]O[C@@H]1CCCCO1)CCC ZINC000770727411 627639764 /nfs/dbraw/zinc/63/97/64/627639764.db2.gz ZRKOYFIRCMEWTR-CQSZACIVSA-N -1 3 255.358 3.087 20 0 CGADHM Cc1cc(=O)[n-]c(CSCc2ncc(Cl)s2)n1 ZINC000774538457 628003367 /nfs/dbraw/zinc/00/33/67/628003367.db2.gz AEEJWMQFEUZOPB-UHFFFAOYSA-N -1 3 287.797 3.034 20 0 CGADHM Cc1noc(C)c1CCO[N-]C(=O)CCC1CCCCC1 ZINC000774763177 628025349 /nfs/dbraw/zinc/02/53/49/628025349.db2.gz WNUUAKFYVMJSQW-UHFFFAOYSA-N -1 3 294.395 3.242 20 0 CGADHM CC(C)Cc1ccc(CC(=O)[N-]OC2CCCC2)cc1 ZINC000774874228 628046320 /nfs/dbraw/zinc/04/63/20/628046320.db2.gz BOEQUHJVOYAQET-UHFFFAOYSA-N -1 3 275.392 3.418 20 0 CGADHM O=C(OCc1ccc(CF)cc1)c1ccc([O-])cc1 ZINC000777047419 628246257 /nfs/dbraw/zinc/24/62/57/628246257.db2.gz YFEAHZZXVMGWEP-UHFFFAOYSA-N -1 3 260.264 3.219 20 0 CGADHM COc1ccc(CCC(=O)[N-]OC2CCCCC2)cc1 ZINC000777960165 628314994 /nfs/dbraw/zinc/31/49/94/628314994.db2.gz SLULMYDYOVHEOC-UHFFFAOYSA-N -1 3 277.364 3.008 20 0 CGADHM O=C([N-]OC1CCCCC1)C1(Cc2ccccc2)CC1 ZINC000779321194 628407500 /nfs/dbraw/zinc/40/75/00/628407500.db2.gz WECCUPQDHKXYJD-UHFFFAOYSA-N -1 3 273.376 3.390 20 0 CGADHM C[C@H](CCC(C)(C)C)C(=O)[N-]OCCC(F)(F)F ZINC000779325461 628407948 /nfs/dbraw/zinc/40/79/48/628407948.db2.gz MMQXUNLWXDDHGJ-SECBINFHSA-N -1 3 269.307 3.449 20 0 CGADHM O=C([N-]c1cc(C(F)(F)F)no1)c1csc(Cl)n1 ZINC000781947862 628607079 /nfs/dbraw/zinc/60/70/79/628607079.db2.gz UIYPUHFZEFMFNZ-UHFFFAOYSA-N -1 3 297.645 3.056 20 0 CGADHM CC/C(=C/C(=O)Nc1ncccc1[O-])c1ccc(OC)cc1 ZINC000783644232 628734517 /nfs/dbraw/zinc/73/45/17/628734517.db2.gz BNWAIEFKIYZXGI-QXMHVHEDSA-N -1 3 298.342 3.228 20 0 CGADHM CC(C)CO[N-]C(=O)C1(Cc2ccccc2Cl)CC1 ZINC000784448478 628814399 /nfs/dbraw/zinc/81/43/99/628814399.db2.gz LCEJAYJOBYWXPY-UHFFFAOYSA-N -1 3 281.783 3.367 20 0 CGADHM O=C(OCCc1cccc(F)c1F)c1ccc([O-])cc1 ZINC000785001139 628847357 /nfs/dbraw/zinc/84/73/57/628847357.db2.gz MPNCJTJIXQGONP-UHFFFAOYSA-N -1 3 278.254 3.070 20 0 CGADHM CC1(C)CCC[C@H](NC(=O)c2nnc3ccccc3c2[O-])C1 ZINC000785599769 628873632 /nfs/dbraw/zinc/87/36/32/628873632.db2.gz WDRYAKHRPXAZMK-NSHDSACASA-N -1 3 299.374 3.034 20 0 CGADHM CC1CCN(C(=O)c2cc3sccc3c([O-])c2)CC1 ZINC000788260415 629043124 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CO[C@@H]1CC[C@@H](C)N(C(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000870723880 633636330 /nfs/dbraw/zinc/63/63/30/633636330.db2.gz HNUBXYTVQOVXFY-IUODEOHRSA-N -1 3 299.370 3.185 20 0 CGADHM CCC(O)(CC)C(C)(C)NC(=O)c1cc([O-])ccc1Cl ZINC000829323181 633722834 /nfs/dbraw/zinc/72/28/34/633722834.db2.gz GDIOJQFDRZLUKE-UHFFFAOYSA-N -1 3 299.798 3.105 20 0 CGADHM Cc1ccc(C)c(CC(=O)[N-]OCCCC(F)(F)F)c1 ZINC000871211439 633727337 /nfs/dbraw/zinc/72/73/37/633727337.db2.gz SGOFRFQIOGKDRN-UHFFFAOYSA-N -1 3 289.297 3.236 20 0 CGADHM O=C(c1ccccc1[O-])N1CCC[C@](F)(c2ccccc2)C1 ZINC000871375737 633769548 /nfs/dbraw/zinc/76/95/48/633769548.db2.gz VDXJXDSYINNBLC-GOSISDBHSA-N -1 3 299.345 3.493 20 0 CGADHM O=C([O-])[C@]12CCC[C@H]1N(c1ccnc3ccccc31)CC2 ZINC000871867871 633903884 /nfs/dbraw/zinc/90/38/84/633903884.db2.gz NUSLURJTAJAEBY-WBVHZDCISA-N -1 3 282.343 3.068 20 0 CGADHM Cc1cccnc1-n1[n-]c(-c2ccccc2)c(C(C)C)c1=O ZINC000871954985 633925595 /nfs/dbraw/zinc/92/55/95/633925595.db2.gz HGBLKWNAATXFDL-OAHLLOKOSA-N -1 3 293.370 3.413 20 0 CGADHM CCc1[n-]n(C[C@H]2CCCC2(F)F)c(=O)c1C(C)C ZINC000871962825 633930653 /nfs/dbraw/zinc/93/06/53/633930653.db2.gz HIWIALIEPVAOSQ-PWSUYJOCSA-N -1 3 272.339 3.302 20 0 CGADHM COc1cccc(CN[C@@H](C)c2cccc([O-])c2F)c1 ZINC000872018164 633938660 /nfs/dbraw/zinc/93/86/60/633938660.db2.gz INECGOJOPOEAQY-NSHDSACASA-N -1 3 275.323 3.391 20 0 CGADHM C[C@H](NCc1ccc2c(c1)COC2)c1cccc([O-])c1F ZINC000872050653 633974917 /nfs/dbraw/zinc/97/49/17/633974917.db2.gz AWAWDDWXSHSPNU-NSHDSACASA-N -1 3 287.334 3.412 20 0 CGADHM CC1(C)CCc2onc(C[N-]c3nnc(C(F)F)o3)c2C1 ZINC000872717020 634194918 /nfs/dbraw/zinc/19/49/18/634194918.db2.gz DQRTWDDAKOFQBM-UHFFFAOYSA-N -1 3 298.293 3.122 20 0 CGADHM O=C(c1ccccc1[O-])N1CC[C@@]2(CCc3ccccc32)C1 ZINC000834866993 634259893 /nfs/dbraw/zinc/25/98/93/634259893.db2.gz SHCIUEVCHJGKKV-IBGZPJMESA-N -1 3 293.366 3.122 20 0 CGADHM COC(=O)Nc1ccc(C(=O)O[C@H](C)CC(C)C)cc1[O-] ZINC000837554926 634932652 /nfs/dbraw/zinc/93/26/52/634932652.db2.gz 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ZINC000854189942 638013077 /nfs/dbraw/zinc/01/30/77/638013077.db2.gz RUUCGBZHETYQDF-UHFFFAOYSA-N -1 3 258.296 3.194 20 0 CGADHM CC(=CC(C)(C)C)C(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000854581400 638072593 /nfs/dbraw/zinc/07/25/93/638072593.db2.gz JAQIEDMDTPLRQW-CMDGGOBGSA-N -1 3 273.336 3.199 20 0 CGADHM C[C@]1(CNC(=O)c2cc3sccc3c([O-])c2)CC1(F)F ZINC000855799045 638252307 /nfs/dbraw/zinc/25/23/07/638252307.db2.gz RENCPQMJSQGXLQ-CYBMUJFWSA-N -1 3 297.326 3.382 20 0 CGADHM CCCC(=O)COC(=O)c1cccc2[n-]c(C(F)F)nc21 ZINC000924085293 638296555 /nfs/dbraw/zinc/29/65/55/638296555.db2.gz AMMHPDYQKFJHCN-UHFFFAOYSA-N -1 3 296.273 3.027 20 0 CGADHM CC(C)c1cc(CN[C@@H](C)c2cc([O-])cc(F)c2)on1 ZINC000925066295 638446123 /nfs/dbraw/zinc/44/61/23/638446123.db2.gz CZKZRFUELRSMMV-JTQLQIEISA-N -1 3 278.327 3.494 20 0 CGADHM CCc1ccc(C(=O)NCC2Cc3ccccc3C2)c([O-])c1 ZINC000857451678 638507799 /nfs/dbraw/zinc/50/77/99/638507799.db2.gz QQWLGGZDNHXZCQ-UHFFFAOYSA-N -1 3 295.382 3.099 20 0 CGADHM CCCn1cc(N[C@@H](C)c2cc([O-])cc(F)c2)cn1 ZINC000925907646 638651441 /nfs/dbraw/zinc/65/14/41/638651441.db2.gz QQAXQLDPVGPPGE-JTQLQIEISA-N -1 3 263.316 3.311 20 0 CGADHM C[C@@H](Nc1cnn(CC(F)F)c1)c1cc([O-])cc(F)c1 ZINC000925910293 638652004 /nfs/dbraw/zinc/65/20/04/638652004.db2.gz UZLBXKDZONNANM-MRVPVSSYSA-N -1 3 285.269 3.166 20 0 CGADHM COCCCCCOC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000116990660 639233024 /nfs/dbraw/zinc/23/30/24/639233024.db2.gz WZLVHKYWUBAQDY-UHFFFAOYSA-N -1 3 280.151 3.295 20 0 CGADHM C[C@H](CC(=O)[N-]OC1CCCCC1)c1ccco1 ZINC000860993067 639483293 /nfs/dbraw/zinc/48/32/93/639483293.db2.gz CKIXQUBLMFDACJ-LLVKDONJSA-N -1 3 251.326 3.154 20 0 CGADHM CCCO[N-]C(=O)Cc1coc2cc(Cl)ccc12 ZINC000862103285 639644133 /nfs/dbraw/zinc/64/41/33/639644133.db2.gz GRCDTXLXJBESEL-UHFFFAOYSA-N -1 3 267.712 3.087 20 0 CGADHM CC(C)[C@@H]1C[C@@H](C(=O)Nc2cc(Cl)ccc2[O-])CCO1 ZINC000935015690 639731808 /nfs/dbraw/zinc/73/18/08/639731808.db2.gz ANBYIAJDJOXKGS-HZMBPMFUSA-N -1 3 297.782 3.435 20 0 CGADHM COc1cccc(C[C@H](C)CC(=O)[N-]OC2CCCC2)c1 ZINC000935238561 639771530 /nfs/dbraw/zinc/77/15/30/639771530.db2.gz DVBLYPZXEWMDCX-ZDUSSCGKSA-N -1 3 291.391 3.254 20 0 CGADHM Cc1nonc1[N-]C(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000076279358 640191130 /nfs/dbraw/zinc/19/11/30/640191130.db2.gz JHDUXLGXTNWMCR-UHFFFAOYSA-N -1 3 287.250 3.029 20 0 CGADHM COc1ccccc1CNCc1c([O-])ccc(Cl)c1F ZINC000190665911 640260352 /nfs/dbraw/zinc/26/03/52/640260352.db2.gz BXNDJPGQGABELK-UHFFFAOYSA-N -1 3 295.741 3.483 20 0 CGADHM CC(C)(C)[C@@H]1CCCN(Cc2cc(C(=O)[O-])no2)CC1 ZINC000079349615 640396508 /nfs/dbraw/zinc/39/65/08/640396508.db2.gz XEWLFIPSYFXNCS-LLVKDONJSA-N -1 3 280.368 3.021 20 0 CGADHM O=C(Nc1ccc(F)c([O-])c1)c1ccn2ccccc12 ZINC001156473476 805701060 /nfs/dbraw/zinc/70/10/60/805701060.db2.gz IQFQQKMIKIOVAI-UHFFFAOYSA-N -1 3 270.263 3.036 20 0 CGADHM [O-]c1cc(Cl)ccc1-c1ccc2c(c1)OCCO2 ZINC001250626900 805736186 /nfs/dbraw/zinc/73/61/86/805736186.db2.gz JHJLVVYTKCGEHI-UHFFFAOYSA-N -1 3 262.692 3.484 20 0 CGADHM Clc1cccc2[nH]c(-c3ccc(-c4nn[n-]n4)cc3)nc21 ZINC001250747690 805770574 /nfs/dbraw/zinc/77/05/74/805770574.db2.gz MWZBEVGIYOZEQI-UHFFFAOYSA-N -1 3 296.721 3.063 20 0 CGADHM CCC[C@](C)(CC)C(=O)Nc1cc(C(=O)OC(C)C)n[n-]1 ZINC001157105527 805777897 /nfs/dbraw/zinc/77/78/97/805777897.db2.gz MXRLKMCMTPKMGT-HNNXBMFYSA-N -1 3 295.383 3.130 20 0 CGADHM CCC[C@](C)(CC)C(=O)Nc1cc(C(=O)OC(C)C)[n-]n1 ZINC001157105527 805777902 /nfs/dbraw/zinc/77/79/02/805777902.db2.gz MXRLKMCMTPKMGT-HNNXBMFYSA-N -1 3 295.383 3.130 20 0 CGADHM Cc1cccc2c1nc(-c1ccc([O-])cc1F)n2C ZINC001250845827 805788187 /nfs/dbraw/zinc/78/81/87/805788187.db2.gz LNESQSOMTFOIDE-UHFFFAOYSA-N -1 3 256.280 3.393 20 0 CGADHM Cc1cccc2nc(-c3ccncc3[O-])n(C3CC3)c21 ZINC001250858274 805789363 /nfs/dbraw/zinc/78/93/63/805789363.db2.gz SUHAPQVTYXGKQZ-UHFFFAOYSA-N -1 3 265.316 3.447 20 0 CGADHM FC(F)(NCCC1CCC1)c1cc(Cl)nc(=S)[n-]1 ZINC001158051782 805919832 /nfs/dbraw/zinc/91/98/32/805919832.db2.gz NBCCFLCHDJQCQO-UHFFFAOYSA-N -1 3 293.770 3.248 20 0 CGADHM CC[C@@H]1C[C@H]1CNC(=O)c1ccc(C(C)C)cc1[O-] ZINC001158614952 805977187 /nfs/dbraw/zinc/97/71/87/805977187.db2.gz STPGHQIORKJZAM-YPMHNXCESA-N -1 3 261.365 3.292 20 0 CGADHM CCOc1ccc(-c2nnc(-c3nc(C)ccc3[O-])o2)cc1 ZINC001252110971 806001258 /nfs/dbraw/zinc/00/12/58/806001258.db2.gz ONVDQSXJCCIMOP-UHFFFAOYSA-N -1 3 297.314 3.211 20 0 CGADHM [O-]c1cccnc1CNc1csc2ncnc(Cl)c12 ZINC001158775139 806002756 /nfs/dbraw/zinc/00/27/56/806002756.db2.gz ZGNMYVFDJICZNT-UHFFFAOYSA-N -1 3 292.751 3.057 20 0 CGADHM CC(C)C[C@H](C)CC(=O)[N-]OCCOc1ccccc1 ZINC001159227660 806061968 /nfs/dbraw/zinc/06/19/68/806061968.db2.gz CQCCJJDQNCCDRP-AWEZNQCLSA-N -1 3 279.380 3.186 20 0 CGADHM CCOc1ccc(Nc2cccc([O-])c2Cl)c(N)n1 ZINC001159415738 806096988 /nfs/dbraw/zinc/09/69/88/806096988.db2.gz XYKVFTMRVJTNGM-UHFFFAOYSA-N -1 3 279.727 3.165 20 0 CGADHM Cc1ccc(-c2nnc(-c3ccccc3)o2)c([O-])c1 ZINC001253046833 806156787 /nfs/dbraw/zinc/15/67/87/806156787.db2.gz FMOFBBWQYQVHBK-UHFFFAOYSA-N -1 3 252.273 3.418 20 0 CGADHM COc1ccc([O-])c(-c2nnc(Cc3ccccc3)o2)c1 ZINC001253489205 806227193 /nfs/dbraw/zinc/22/71/93/806227193.db2.gz MSAMBPUUAWFTBT-UHFFFAOYSA-N -1 3 282.299 3.042 20 0 CGADHM CCCCC[C@@H](O)CNc1ccc(F)c(F)c1[O-] ZINC001253544259 806246318 /nfs/dbraw/zinc/24/63/18/806246318.db2.gz KUBPSBIBMWFXDW-SECBINFHSA-N -1 3 259.296 3.024 20 0 CGADHM CCOc1cccc(-c2nnc(Cc3ccccc3)o2)c1[O-] ZINC001253588904 806265985 /nfs/dbraw/zinc/26/59/85/806265985.db2.gz MOAXXNZSYSRBKV-UHFFFAOYSA-N -1 3 296.326 3.432 20 0 CGADHM COc1cccc(-c2nnc(-c3cccc(F)c3)o2)c1[O-] ZINC001254140137 806351020 /nfs/dbraw/zinc/35/10/20/806351020.db2.gz FSYULHQUBMCJLZ-UHFFFAOYSA-N -1 3 286.262 3.257 20 0 CGADHM Cc1cc([O-])c(-c2nnc(-c3cccc(F)c3)o2)c(O)c1 ZINC001254209402 806365011 /nfs/dbraw/zinc/36/50/11/806365011.db2.gz KNOGZNAUQGCIFA-UHFFFAOYSA-N -1 3 286.262 3.262 20 0 CGADHM F[C@@H]1CCCC[C@H]1Nc1cc(C(F)(F)F)[n-]c(=S)n1 ZINC001162505170 806598261 /nfs/dbraw/zinc/59/82/61/806598261.db2.gz DOYMTHHEVDZCEQ-RNFRBKRXSA-N -1 3 295.305 3.477 20 0 CGADHM [O-]c1ccc2ccccc2c1-c1nnc(C2CCOCC2)o1 ZINC001255654864 806694791 /nfs/dbraw/zinc/69/47/91/806694791.db2.gz AOHGBXCKXXTLOQ-UHFFFAOYSA-N -1 3 296.326 3.489 20 0 CGADHM CCCCCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000057428123 798900267 /nfs/dbraw/zinc/90/02/67/798900267.db2.gz AIPPOIOLSJVBRG-UHFFFAOYSA-N -1 3 293.791 3.338 20 0 CGADHM C[C@H](CC(=O)[N-]OC(C)(C)C)c1cccc(F)c1 ZINC000126267265 799006367 /nfs/dbraw/zinc/00/63/67/799006367.db2.gz UQYRTRLVDFWAKE-SNVBAGLBSA-N -1 3 253.317 3.166 20 0 CGADHM Cc1ccc(Nc2cc(=O)n(-c3ccccc3)[n-]2)cc1O ZINC001211693265 814932953 /nfs/dbraw/zinc/93/29/53/814932953.db2.gz LTBADMZQGLFOQY-UHFFFAOYSA-N -1 3 281.315 3.336 20 0 CGADHM COc1ccc(C(=O)NCC2CCC(C)(C)CC2)c([O-])c1 ZINC000314727597 799234355 /nfs/dbraw/zinc/23/43/55/799234355.db2.gz OMBXWYOAEYPCBG-UHFFFAOYSA-N -1 3 291.391 3.347 20 0 CGADHM Cc1cc(CNCc2ccccc2C(=O)[O-])cs1 ZINC000381302730 799376677 /nfs/dbraw/zinc/37/66/77/799376677.db2.gz RFCGJRZCFKORHF-UHFFFAOYSA-N -1 3 261.346 3.045 20 0 CGADHM C[C@H](CN1Cc2ccccc2[C@@H](C(=O)[O-])C1)C(C)(C)C ZINC000383227278 799401546 /nfs/dbraw/zinc/40/15/46/799401546.db2.gz ALHPISZEANFRCF-DOMZBBRYSA-N -1 3 275.392 3.353 20 0 CGADHM Cc1cc(Cl)cc(CN2CCC(CC(=O)[O-])CC2)c1 ZINC000395202687 799502973 /nfs/dbraw/zinc/50/29/73/799502973.db2.gz MUCDOACXHYVSTG-UHFFFAOYSA-N -1 3 281.783 3.335 20 0 CGADHM COc1cccc([O-])c1C(=O)N1CCCCCCCC1 ZINC000405261977 799582332 /nfs/dbraw/zinc/58/23/32/799582332.db2.gz NPBIKTSKCYHYBJ-UHFFFAOYSA-N -1 3 277.364 3.197 20 0 CGADHM COc1cccc([O-])c1C(=O)NCc1ccc(C(C)C)cc1 ZINC000405478441 799585177 /nfs/dbraw/zinc/58/51/77/799585177.db2.gz MQZHJAUCBDNRKB-UHFFFAOYSA-N -1 3 299.370 3.454 20 0 CGADHM CC(C)c1ccc(NC(=O)c2cc3c(cc2[O-])OCO3)cc1 ZINC000436602778 799612626 /nfs/dbraw/zinc/61/26/26/799612626.db2.gz FVARDJYLJVQRAR-UHFFFAOYSA-N -1 3 299.326 3.497 20 0 CGADHM O=C(NC[C@@]12C[C@@H]1CCCC2)c1cc([O-])ccc1Cl ZINC000693580922 799813122 /nfs/dbraw/zinc/81/31/22/799813122.db2.gz QFAHPUDNFAQODB-ZUZCIYMTSA-N -1 3 279.767 3.356 20 0 CGADHM O=C(N[C@@H]1CCCC2(CC2)C1)c1cc([O-])ccc1Cl ZINC000696162963 799838417 /nfs/dbraw/zinc/83/84/17/799838417.db2.gz FXKQLQNWBRCOIF-SNVBAGLBSA-N -1 3 279.767 3.498 20 0 CGADHM Cc1cccc([O-])c1-c1nc(-c2ccncc2C)no1 ZINC000706649449 799963967 /nfs/dbraw/zinc/96/39/67/799963967.db2.gz LVVDWDZLFTXKQX-UHFFFAOYSA-N -1 3 267.288 3.121 20 0 CGADHM COc1cccc(CN(C)Cc2cc(C(=O)[O-])cs2)c1 ZINC000711486240 800063351 /nfs/dbraw/zinc/06/33/51/800063351.db2.gz FVBWMXQSGVFCBA-UHFFFAOYSA-N -1 3 291.372 3.087 20 0 CGADHM C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CNC(=O)c1cc([O-])ccc1Cl ZINC000717044934 800190977 /nfs/dbraw/zinc/19/09/77/800190977.db2.gz AYJJYKYBUALOFW-PKZYVASSSA-N -1 3 279.767 3.068 20 0 CGADHM O=C(NCCC1CC=CC1)c1cc([O-])ccc1Cl ZINC000724405192 800359054 /nfs/dbraw/zinc/35/90/54/800359054.db2.gz VSKLTLDPZWKOGG-UHFFFAOYSA-N -1 3 265.740 3.132 20 0 CGADHM Cc1ccc(CNCc2csc(C(=O)[O-])c2)c(C)c1 ZINC000902105366 800592562 /nfs/dbraw/zinc/59/25/62/800592562.db2.gz IRKOVVPSRRVWNU-UHFFFAOYSA-N -1 3 275.373 3.353 20 0 CGADHM Cc1ccc(CC(=O)[N-]OC(C)(C)C)c(Cl)c1 ZINC001116407144 802343072 /nfs/dbraw/zinc/34/30/72/802343072.db2.gz BTNTWUWLKIALNX-UHFFFAOYSA-N -1 3 255.745 3.037 20 0 CGADHM CC(C)(C)c1cnc(CN[C@H]2CC[C@@H](C(=O)[O-])CC2)s1 ZINC001119549600 802678420 /nfs/dbraw/zinc/67/84/20/802678420.db2.gz OTXDDPQWCRGAKO-PHIMTYICSA-N -1 3 296.436 3.174 20 0 CGADHM Cc1ccc2c(cccc2-c2ccc(=S)[n-]n2)n1 ZINC001243742770 802979387 /nfs/dbraw/zinc/97/93/87/802979387.db2.gz WUMXDOZPFHIAFJ-UHFFFAOYSA-N -1 3 253.330 3.289 20 0 CGADHM CN1Cc2cccc(-c3c([O-])cccc3Cl)c2C1=O ZINC001244033820 803153376 /nfs/dbraw/zinc/15/33/76/803153376.db2.gz RVYMKJJZIZKPIF-UHFFFAOYSA-N -1 3 273.719 3.298 20 0 CGADHM CC(C)c1ccc(N)c(-c2cc(-c3nnn[n-]3)ccc2F)c1 ZINC001244225819 803248298 /nfs/dbraw/zinc/24/82/98/803248298.db2.gz FIBVUJDCCZLPSA-UHFFFAOYSA-N -1 3 297.337 3.378 20 0 CGADHM CC(C)c1ccc(N)c(-c2cc(-c3nn[n-]n3)ccc2F)c1 ZINC001244225819 803248299 /nfs/dbraw/zinc/24/82/99/803248299.db2.gz FIBVUJDCCZLPSA-UHFFFAOYSA-N -1 3 297.337 3.378 20 0 CGADHM Cc1cc(C2CC2)ccc1-c1cncc(-c2nnn[n-]2)c1 ZINC001244275883 803274148 /nfs/dbraw/zinc/27/41/48/803274148.db2.gz NIMCGQYDMJIJHS-UHFFFAOYSA-N -1 3 277.331 3.115 20 0 CGADHM Cc1cc(C2CC2)ccc1-c1cncc(-c2nn[n-]n2)c1 ZINC001244275883 803274150 /nfs/dbraw/zinc/27/41/50/803274150.db2.gz NIMCGQYDMJIJHS-UHFFFAOYSA-N -1 3 277.331 3.115 20 0 CGADHM CSc1cc(F)ccc1[N-]C(=O)c1cncc(Cl)n1 ZINC001130290763 803277745 /nfs/dbraw/zinc/27/77/45/803277745.db2.gz RCQYPXFIRKQSHE-UHFFFAOYSA-N -1 3 297.742 3.243 20 0 CGADHM CC(C)c1cc(-c2ccc(-c3nnn[n-]3)c(F)c2)ccc1N ZINC001244335354 803311423 /nfs/dbraw/zinc/31/14/23/803311423.db2.gz XLXBZZYAXNWRAV-UHFFFAOYSA-N -1 3 297.337 3.378 20 0 CGADHM CC(C)c1cc(-c2ccc(-c3nn[n-]n3)c(F)c2)ccc1N ZINC001244335354 803311427 /nfs/dbraw/zinc/31/14/27/803311427.db2.gz XLXBZZYAXNWRAV-UHFFFAOYSA-N -1 3 297.337 3.378 20 0 CGADHM Cc1ccc(C[N-]C(=O)C(F)(F)c2ccc(F)cc2)o1 ZINC001131832528 803347906 /nfs/dbraw/zinc/34/79/06/803347906.db2.gz INSWXDWDNKFXAQ-UHFFFAOYSA-N -1 3 283.249 3.135 20 0 CGADHM CCOc1cc(-c2cc(-c3nnn[n-]3)ccc2F)ccc1C ZINC001244441966 803366770 /nfs/dbraw/zinc/36/67/70/803366770.db2.gz LHAUYWBRFUMMRJ-UHFFFAOYSA-N -1 3 298.321 3.380 20 0 CGADHM CCOc1cc(-c2cc(-c3nn[n-]n3)ccc2F)ccc1C ZINC001244441966 803366778 /nfs/dbraw/zinc/36/67/78/803366778.db2.gz LHAUYWBRFUMMRJ-UHFFFAOYSA-N -1 3 298.321 3.380 20 0 CGADHM [O-]c1ccc(OC(F)(F)F)cc1-c1ncnc2occc21 ZINC001244457218 803378903 /nfs/dbraw/zinc/37/89/03/803378903.db2.gz XUQQRLLCUOAHAR-UHFFFAOYSA-N -1 3 296.204 3.494 20 0 CGADHM CN(C)c1ccc(-c2cc(OC(F)(F)F)ccc2[O-])nc1 ZINC001244456819 803378973 /nfs/dbraw/zinc/37/89/73/803378973.db2.gz GKXLFALQGKLBAJ-UHFFFAOYSA-N -1 3 298.264 3.419 20 0 CGADHM Cc1cc(-c2cc(OC(F)(F)F)ccc2[O-])nnc1C ZINC001244458059 803379549 /nfs/dbraw/zinc/37/95/49/803379549.db2.gz YPBPZKHRFWZGPP-UHFFFAOYSA-N -1 3 284.237 3.365 20 0 CGADHM COc1c(F)nccc1-c1ccc(Cl)cc1[O-] ZINC001244469768 803385661 /nfs/dbraw/zinc/38/56/61/803385661.db2.gz SAMBNHUNSDRFPG-UHFFFAOYSA-N -1 3 253.660 3.255 20 0 CGADHM O=C1NCc2cc(-c3ccc(Cl)cc3[O-])cc(F)c21 ZINC001244471036 803387283 /nfs/dbraw/zinc/38/72/83/803387283.db2.gz AOXDONOHUFZTIA-UHFFFAOYSA-N -1 3 277.682 3.095 20 0 CGADHM CN1C(=O)Cc2ccc(-c3ccc(Cl)cc3[O-])cc21 ZINC001244472215 803388396 /nfs/dbraw/zinc/38/83/96/803388396.db2.gz ONPAPYPBHJYDEC-UHFFFAOYSA-N -1 3 273.719 3.232 20 0 CGADHM COC(=O)c1nccc(-c2ccc(Cl)cc2[O-])c1C ZINC001244473147 803389060 /nfs/dbraw/zinc/38/90/60/803389060.db2.gz SMIJLNFWXANIGB-UHFFFAOYSA-N -1 3 277.707 3.203 20 0 CGADHM CON(C)C(=O)c1ccc(-c2ccc(Cl)cc2[O-])cc1 ZINC001244473392 803389425 /nfs/dbraw/zinc/38/94/25/803389425.db2.gz ROBCHOZSCXDRGN-UHFFFAOYSA-N -1 3 291.734 3.346 20 0 CGADHM COC(=O)c1cc(F)ccc1-c1cc(C)c(F)c([O-])c1 ZINC001244516779 803413603 /nfs/dbraw/zinc/41/36/03/803413603.db2.gz FIXFAQSGWOSICE-UHFFFAOYSA-N -1 3 278.254 3.432 20 0 CGADHM Cc1cc(-c2cnc3nccnc3c2C)cc([O-])c1F ZINC001244516764 803414049 /nfs/dbraw/zinc/41/40/49/803414049.db2.gz FDFWIONHQFCDHX-UHFFFAOYSA-N -1 3 269.279 3.153 20 0 CGADHM CCOC(=O)c1ccncc1-c1cc(C)c(F)c([O-])c1 ZINC001244520788 803414693 /nfs/dbraw/zinc/41/46/93/803414693.db2.gz MJDWBSPUQUENAJ-UHFFFAOYSA-N -1 3 275.279 3.078 20 0 CGADHM Cc1cc(-c2cnc3[nH]cnc3c2C)cc([O-])c1F ZINC001244521512 803415017 /nfs/dbraw/zinc/41/50/17/803415017.db2.gz UZMLWYVHINKROV-UHFFFAOYSA-N -1 3 257.268 3.086 20 0 CGADHM Cc1cc(-c2ccc3c(c2)[C@@H](O)CCO3)cc([O-])c1F ZINC001244521575 803415597 /nfs/dbraw/zinc/41/55/97/803415597.db2.gz VGWVVJYLASFCNA-ZDUSSCGKSA-N -1 3 274.291 3.323 20 0 CGADHM Cc1cc(-c2ccc(=O)n(CC3CCC3)c2)cc([O-])c1F ZINC001244524388 803417324 /nfs/dbraw/zinc/41/73/24/803417324.db2.gz DENSWDRCPFYEAC-UHFFFAOYSA-N -1 3 287.334 3.469 20 0 CGADHM COc1cc(-c2ccc(=S)[n-]n2)ccc1OC(C)C ZINC001244882439 803561489 /nfs/dbraw/zinc/56/14/89/803561489.db2.gz FGPYTHHZUULJEY-UHFFFAOYSA-N -1 3 276.361 3.228 20 0 CGADHM CCc1ccc(C(=O)NCCc2ccccc2F)c([O-])c1 ZINC001135347505 803588315 /nfs/dbraw/zinc/58/83/15/803588315.db2.gz IJNANROFGBQVJP-UHFFFAOYSA-N -1 3 287.334 3.066 20 0 CGADHM CCOC(=O)Cc1ccc(-c2ccc([O-])cc2Cl)nc1 ZINC001245077817 803634107 /nfs/dbraw/zinc/63/41/07/803634107.db2.gz HAWJYLWGFZVZJN-UHFFFAOYSA-N -1 3 291.734 3.213 20 0 CGADHM CC(C)OC(=O)c1ccc(-c2ccc([O-])cc2Cl)nn1 ZINC001245081853 803636537 /nfs/dbraw/zinc/63/65/37/803636537.db2.gz NIUKSIYNPKMQRY-UHFFFAOYSA-N -1 3 292.722 3.068 20 0 CGADHM CCOC(=O)Cc1cccnc1-c1ccc([O-])cc1Cl ZINC001245081458 803636851 /nfs/dbraw/zinc/63/68/51/803636851.db2.gz HANFNVCHDHJHKB-UHFFFAOYSA-N -1 3 291.734 3.213 20 0 CGADHM O=c1c(-c2ccc([O-])cc2Cl)ccnn1-c1ccccc1 ZINC001245083734 803638205 /nfs/dbraw/zinc/63/82/05/803638205.db2.gz TYFJYDDEVOPGCV-UHFFFAOYSA-N -1 3 298.729 3.259 20 0 CGADHM [S-]c1ccc(C2=CC[C@H](N3CCOCC3)CC2)cc1 ZINC001245425612 803733695 /nfs/dbraw/zinc/73/36/95/803733695.db2.gz PUDMXVXQEYXEJZ-HNNXBMFYSA-N -1 3 275.417 3.243 20 0 CGADHM COc1nccc(Nc2cc([O-])c(F)cc2F)c1Cl ZINC001211950297 814960320 /nfs/dbraw/zinc/96/03/20/814960320.db2.gz RMRMZJPODGGFRH-UHFFFAOYSA-N -1 3 286.665 3.471 20 0 CGADHM CC(C)[C@H]1CCN1C(=O)c1cc2sccc2c([O-])c1 ZINC001137833476 803780169 /nfs/dbraw/zinc/78/01/69/803780169.db2.gz FNTVFUAJEUZTNB-GFCCVEGCSA-N -1 3 275.373 3.477 20 0 CGADHM O=C1OCc2ccc(Nc3ccc([O-])c(F)c3F)cc21 ZINC001212007721 814965590 /nfs/dbraw/zinc/96/55/90/814965590.db2.gz ZRSOZFMXTCVQKD-UHFFFAOYSA-N -1 3 277.226 3.084 20 0 CGADHM CC(C)Cn1cnc(Nc2ccc([O-])c(F)c2F)c1 ZINC001212005194 814965603 /nfs/dbraw/zinc/96/56/03/814965603.db2.gz BCRXYIMSDAJZRC-UHFFFAOYSA-N -1 3 267.279 3.267 20 0 CGADHM Cc1cccc(O)c1Nc1ccc([O-])c(F)c1F ZINC001212011103 814966884 /nfs/dbraw/zinc/96/68/84/814966884.db2.gz RHSHSWPRCPFVPB-UHFFFAOYSA-N -1 3 251.232 3.428 20 0 CGADHM O=c1[nH]c2cc(Nc3ccc([O-])c(F)c3F)ccc2o1 ZINC001212013907 814967085 /nfs/dbraw/zinc/96/70/85/814967085.db2.gz PGCWCUXMDSYBQU-UHFFFAOYSA-N -1 3 278.214 3.261 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])c1cccc2scnc21 ZINC001138016429 803826028 /nfs/dbraw/zinc/82/60/28/803826028.db2.gz MVZBXISEAMZPDN-UHFFFAOYSA-N -1 3 288.303 3.393 20 0 CGADHM Cc1cnc(F)cc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC001138014784 803826246 /nfs/dbraw/zinc/82/62/46/803826246.db2.gz BUBREOIPCYVWJA-UHFFFAOYSA-N -1 3 280.686 3.140 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2cnc3c(c2)CCCC3)c1 ZINC001138188063 803873264 /nfs/dbraw/zinc/87/32/64/803873264.db2.gz LIXIRUOSQNYFMU-UHFFFAOYSA-N -1 3 296.370 3.481 20 0 CGADHM [O-]c1cccc(F)c1-c1ccc(N2CCCC2)nc1 ZINC001245654388 803885961 /nfs/dbraw/zinc/88/59/61/803885961.db2.gz QQSAHQWVZSNDEH-UHFFFAOYSA-N -1 3 258.296 3.194 20 0 CGADHM [O-]c1cccc(F)c1-c1ccc(OC(F)(F)F)nc1 ZINC001245654800 803886615 /nfs/dbraw/zinc/88/66/15/803886615.db2.gz HUBCJKJLTKOJAZ-UHFFFAOYSA-N -1 3 273.185 3.492 20 0 CGADHM CC1(C)NC(=O)Cc2c(-c3c([O-])cccc3F)cccc21 ZINC001245656685 803889482 /nfs/dbraw/zinc/88/94/82/803889482.db2.gz ZLCFGHNXPSPATH-UHFFFAOYSA-N -1 3 285.318 3.106 20 0 CGADHM COC(=O)c1cc(F)cc(-c2c([O-])cccc2F)c1C ZINC001245656176 803889616 /nfs/dbraw/zinc/88/96/16/803889616.db2.gz IPGVOOAPVKOBIG-UHFFFAOYSA-N -1 3 278.254 3.432 20 0 CGADHM COC(=O)c1ccc(C)c(-c2c([O-])cccc2F)c1 ZINC001245656293 803889972 /nfs/dbraw/zinc/88/99/72/803889972.db2.gz OBZXFYQGAVKCMX-UHFFFAOYSA-N -1 3 260.264 3.293 20 0 CGADHM COC(=O)c1ccc(F)c(-c2c([O-])cccc2F)c1 ZINC001245656368 803890087 /nfs/dbraw/zinc/89/00/87/803890087.db2.gz ZQHDILJOOUJGOW-UHFFFAOYSA-N -1 3 264.227 3.124 20 0 CGADHM COC(=O)c1ccc(-c2c([O-])cccc2F)c2cc[nH]c21 ZINC001245656917 803890777 /nfs/dbraw/zinc/89/07/77/803890777.db2.gz VJOKQWWRZOQLJP-UHFFFAOYSA-N -1 3 285.274 3.466 20 0 CGADHM COc1cc(C)c(-c2ccc(F)c(-c3nnn[n-]3)c2)c(C)c1 ZINC001245680480 803907662 /nfs/dbraw/zinc/90/76/62/803907662.db2.gz GLXMHDIJBQEWNX-UHFFFAOYSA-N -1 3 298.321 3.298 20 0 CGADHM COc1cc(C)c(-c2ccc(F)c(-c3nn[n-]n3)c2)c(C)c1 ZINC001245680480 803907670 /nfs/dbraw/zinc/90/76/70/803907670.db2.gz GLXMHDIJBQEWNX-UHFFFAOYSA-N -1 3 298.321 3.298 20 0 CGADHM Cc1nc(Nc2cccc(OCC(F)(F)F)c2)cc(=O)[n-]1 ZINC001212164462 814987685 /nfs/dbraw/zinc/98/76/85/814987685.db2.gz QWEPHZFXHDEWHR-UHFFFAOYSA-N -1 3 299.252 3.175 20 0 CGADHM Cc1cc(Nc2cc([O-])c(F)cc2F)cnc1F ZINC001212186095 814990160 /nfs/dbraw/zinc/99/01/60/814990160.db2.gz LXSDJNUPTWBWKY-UHFFFAOYSA-N -1 3 254.211 3.257 20 0 CGADHM CCCOc1ccc(F)cc1Nc1cnc(C)[n-]c1=O ZINC001212197882 814993197 /nfs/dbraw/zinc/99/31/97/814993197.db2.gz IKFSPELOYAJQHU-UHFFFAOYSA-N -1 3 277.299 3.162 20 0 CGADHM CCc1ccc(C(=O)N[C@H]2C[C@H]2c2cccc(F)c2)c([O-])c1 ZINC001139892493 804319067 /nfs/dbraw/zinc/31/90/67/804319067.db2.gz SRMBUDITNSEJCN-HOTGVXAUSA-N -1 3 299.345 3.380 20 0 CGADHM [O-]c1ccc(CN2CCC3(CCC3)CC2)c(F)c1F ZINC001140888394 804543691 /nfs/dbraw/zinc/54/36/91/804543691.db2.gz RIPHFLZOBRWXHY-UHFFFAOYSA-N -1 3 267.319 3.437 20 0 CGADHM O=C(CCC(=O)c1cccs1)Nc1ccc(F)c([O-])c1 ZINC001142099196 804694906 /nfs/dbraw/zinc/69/49/06/804694906.db2.gz OOPUBRKSGBSPNC-UHFFFAOYSA-N -1 3 293.319 3.194 20 0 CGADHM C[C@H]1C[C@@H](O)CCN1Cc1c(Cl)cc([O-])cc1Cl ZINC001142115051 804695881 /nfs/dbraw/zinc/69/58/81/804695881.db2.gz VHGNSTRHHGRLHC-IUCAKERBSA-N -1 3 290.190 3.044 20 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CGADHM CC1=C(C)C[C@@](C)(C(=O)[N-]OCC2CCC2)CC1 ZINC001148106574 805162629 /nfs/dbraw/zinc/16/26/29/805162629.db2.gz AGQMULSYZLMGKZ-HNNXBMFYSA-N -1 3 251.370 3.361 20 0 CGADHM COc1cccc(C(=O)Nc2ccc(C3CCC3)nc2)c1[O-] ZINC001148197577 805168359 /nfs/dbraw/zinc/16/83/59/805168359.db2.gz RKQOBIAOWMLETO-UHFFFAOYSA-N -1 3 298.342 3.316 20 0 CGADHM Cc1ccc(C(=O)Nc2ccc(F)c([O-])c2)c(C)c1 ZINC001148248046 805171163 /nfs/dbraw/zinc/17/11/63/805171163.db2.gz USNZOMQETIIHCS-UHFFFAOYSA-N -1 3 259.280 3.400 20 0 CGADHM O=C1COc2cc(Nc3ccc([O-])c(Cl)c3)ccc2N1 ZINC001249623598 805190413 /nfs/dbraw/zinc/19/04/13/805190413.db2.gz XAXPDACCQLJBHB-UHFFFAOYSA-N -1 3 290.706 3.120 20 0 CGADHM C[C@H]1CCCN(Cc2ccc(F)c(C(=O)[O-])c2F)CC1 ZINC001249758788 805236719 /nfs/dbraw/zinc/23/67/19/805236719.db2.gz DCWAJAJJNMEJQV-JTQLQIEISA-N -1 3 283.318 3.285 20 0 CGADHM O=C([O-])c1c(F)ccc(CN2CCCCCCC2)c1F ZINC001249774533 805242270 /nfs/dbraw/zinc/24/22/70/805242270.db2.gz YKBDETJHBTXFCH-UHFFFAOYSA-N -1 3 283.318 3.429 20 0 CGADHM [O-]c1ccc(-c2nc(-c3ccc4occc4c3)no2)nc1 ZINC001212557845 815067715 /nfs/dbraw/zinc/06/77/15/815067715.db2.gz DEEVPSLFNLTEQD-UHFFFAOYSA-N -1 3 279.255 3.250 20 0 CGADHM O=c1cc(Nc2c(O)cccc2F)[n-]n1-c1ccccc1 ZINC001249990148 805348240 /nfs/dbraw/zinc/34/82/40/805348240.db2.gz DQEPNDZBGSHOAQ-UHFFFAOYSA-N -1 3 285.278 3.166 20 0 CGADHM [O-]c1cc(F)c(Nc2cncc(O)c2)cc1Cl ZINC001250020849 805371150 /nfs/dbraw/zinc/37/11/50/805371150.db2.gz TVQRHWJQEKEHTL-UHFFFAOYSA-N -1 3 254.648 3.029 20 0 CGADHM C[C@H]1CCN(C(=O)c2cc3sccc3c([O-])c2)C[C@@H]1F ZINC001152922111 805374018 /nfs/dbraw/zinc/37/40/18/805374018.db2.gz LGWCXASWRNVHGP-CABZTGNLSA-N -1 3 293.363 3.427 20 0 CGADHM O=C(CCc1c(F)ccc([O-])c1F)c1ccccc1 ZINC001250023452 805375292 /nfs/dbraw/zinc/37/52/92/805375292.db2.gz ZHEABPLPQZRLRF-UHFFFAOYSA-N -1 3 262.255 3.486 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])c1ccc2cccnc2c1 ZINC001153468985 805399238 /nfs/dbraw/zinc/39/92/38/805399238.db2.gz ZLQLCZJXWPQCTM-UHFFFAOYSA-N -1 3 282.274 3.332 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2scc3c2CCCC3)n1 ZINC001153618323 805406717 /nfs/dbraw/zinc/40/67/17/805406717.db2.gz SUHKHPLUPZLLAH-UHFFFAOYSA-N -1 3 288.372 3.288 20 0 CGADHM CCOC(=O)c1cncc(Nc2ccc(Cl)c([O-])c2)c1 ZINC001212588165 815077352 /nfs/dbraw/zinc/07/73/52/815077352.db2.gz IAIQCIOODJJBOW-UHFFFAOYSA-N -1 3 292.722 3.361 20 0 CGADHM Cc1nn(C)c(C)c1Nc1ccc(Cl)c([O-])c1 ZINC001212587967 815077520 /nfs/dbraw/zinc/07/75/20/815077520.db2.gz CKPVDDSKVIXORV-UHFFFAOYSA-N -1 3 251.717 3.140 20 0 CGADHM Cc1ccc2ncc([O-])c(C(=O)N(C)C3CC(C)C3)c2c1 ZINC001154529271 805461888 /nfs/dbraw/zinc/46/18/88/805461888.db2.gz GUCIORJUMFMFMU-UHFFFAOYSA-N -1 3 284.359 3.119 20 0 CGADHM COc1c(F)c(Cl)ccc1Nc1cc(=O)[n-]c(C)n1 ZINC001250189256 805476844 /nfs/dbraw/zinc/47/68/44/805476844.db2.gz SYLVBASLBVGECQ-UHFFFAOYSA-N -1 3 283.690 3.035 20 0 CGADHM [O-]c1cc(Nc2cnn3ccc(Cl)nc23)ccc1Cl ZINC001212589308 815078860 /nfs/dbraw/zinc/07/88/60/815078860.db2.gz FINZIGGMDDNMNH-UHFFFAOYSA-N -1 3 295.129 3.485 20 0 CGADHM COc1ccc(Cl)cc1[N-]c1nonc1C1CC1 ZINC001250205668 805488927 /nfs/dbraw/zinc/48/89/27/805488927.db2.gz NDPLWYVQZFMHOJ-UHFFFAOYSA-N -1 3 265.700 3.353 20 0 CGADHM O=C1NCc2cc(Nc3ccc(Cl)c([O-])c3)ccc2N1 ZINC001212595498 815080967 /nfs/dbraw/zinc/08/09/67/815080967.db2.gz WTYLQTOQYDQCRW-UHFFFAOYSA-N -1 3 289.722 3.424 20 0 CGADHM COc1ccc(CO)c(Nc2ccc(Cl)c([O-])c2)c1 ZINC001212594132 815081180 /nfs/dbraw/zinc/08/11/80/815081180.db2.gz RCKGCGHLCAFLLS-UHFFFAOYSA-N -1 3 279.723 3.290 20 0 CGADHM [O-]c1ccc(F)c(CCN2CCCCC2)c1Cl ZINC001250242648 805516173 /nfs/dbraw/zinc/51/61/73/805516173.db2.gz YINPYNJPCZRVDN-UHFFFAOYSA-N -1 3 257.736 3.213 20 0 CGADHM [O-]c1cc(Nc2c(F)ccc(CO)c2F)c(F)cc1F ZINC001250255999 805526527 /nfs/dbraw/zinc/52/65/27/805526527.db2.gz RMVAIMRQQXGRKO-UHFFFAOYSA-N -1 3 287.212 3.185 20 0 CGADHM [O-]c1cncc(-c2nc(-c3cccc(Cl)c3F)no2)c1 ZINC001212708685 815110366 /nfs/dbraw/zinc/11/03/66/815110366.db2.gz OWTVRLCGTBCDIB-UHFFFAOYSA-N -1 3 291.669 3.297 20 0 CGADHM Cc1ccc([O-])c(-c2nnc(Cc3ccccc3C)o2)n1 ZINC001258443115 807453263 /nfs/dbraw/zinc/45/32/63/807453263.db2.gz NEBOSYWJAXJVNE-UHFFFAOYSA-N -1 3 281.315 3.045 20 0 CGADHM CC(=O)OCc1cccc(C)c1[N-]c1nonc1C1CC1 ZINC001212769673 815133174 /nfs/dbraw/zinc/13/31/74/815133174.db2.gz XUYDVFMPDYWCML-UHFFFAOYSA-N -1 3 287.319 3.062 20 0 CGADHM COc1ccc([N-]S(=O)(=O)c2cc(C)cc(C)c2)cc1 ZINC001259515955 807679501 /nfs/dbraw/zinc/67/95/01/807679501.db2.gz CTRWBLVXXGVTEK-UHFFFAOYSA-N -1 3 291.372 3.113 20 0 CGADHM COc1cc(C)ccc1[N-]S(=O)(=O)CC1CCCCC1 ZINC001259618582 807683458 /nfs/dbraw/zinc/68/34/58/807683458.db2.gz QNXPNJZGWFEKKV-UHFFFAOYSA-N -1 3 297.420 3.326 20 0 CGADHM CC(=O)c1cc(F)ccc1[N-]S(=O)(=O)C1CCCCC1 ZINC001259814715 807689366 /nfs/dbraw/zinc/68/93/66/807689366.db2.gz OZYRVSSSWFCKKH-UHFFFAOYSA-N -1 3 299.367 3.103 20 0 CGADHM Cc1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1C ZINC001260991322 807708353 /nfs/dbraw/zinc/70/83/53/807708353.db2.gz GUIJYESNABFFNQ-UHFFFAOYSA-N -1 3 279.336 3.243 20 0 CGADHM Cc1cccc2nc([N-]c3cnn4c3CCCC4)oc21 ZINC001261852029 807795286 /nfs/dbraw/zinc/79/52/86/807795286.db2.gz PXMJFSXQKWFGRQ-UHFFFAOYSA-N -1 3 268.320 3.413 20 0 CGADHM CO[C@@H]1CC=C(Nc2nc3c(cccc3[O-])s2)CC1 ZINC001212871832 815167314 /nfs/dbraw/zinc/16/73/14/815167314.db2.gz CYIVMYDHGZRDAG-SNVBAGLBSA-N -1 3 276.361 3.497 20 0 CGADHM COc1ccc(Nc2c(F)cc([O-])cc2F)cc1OC ZINC001173888185 808743128 /nfs/dbraw/zinc/74/31/28/808743128.db2.gz PESDNSZTGBCPOM-UHFFFAOYSA-N -1 3 281.258 3.431 20 0 CGADHM COc1ccc(OC)c(Nc2cc([O-])c(F)cc2F)c1 ZINC001173919585 808760841 /nfs/dbraw/zinc/76/08/41/808760841.db2.gz DXRYOHBFDKVZNM-UHFFFAOYSA-N -1 3 281.258 3.431 20 0 CGADHM COc1ccc([N-]c2noc(C(C)(C)C)n2)c(F)c1 ZINC001174143326 808888448 /nfs/dbraw/zinc/88/84/48/808888448.db2.gz YXSFYNRGLUWKFH-UHFFFAOYSA-N -1 3 265.288 3.258 20 0 CGADHM CCCn1cc([N-]c2nnc(C(C)(C)C)s2)cn1 ZINC001174217864 808906603 /nfs/dbraw/zinc/90/66/03/808906603.db2.gz YQXVTZWBCKPWNO-UHFFFAOYSA-N -1 3 265.386 3.186 20 0 CGADHM CC(C)(C)c1nnc([N-]c2cncc(F)c2)s1 ZINC001174289572 808934053 /nfs/dbraw/zinc/93/40/53/808934053.db2.gz ZYDAUZAIPBENMG-UHFFFAOYSA-N -1 3 252.318 3.113 20 0 CGADHM [O-]c1cc(Cl)cnc1Nc1cccc2n[nH]cc21 ZINC001174343471 808964068 /nfs/dbraw/zinc/96/40/68/808964068.db2.gz PHHXGAWBXWKRGQ-UHFFFAOYSA-N -1 3 260.684 3.061 20 0 CGADHM [O-]c1ccc(Nc2cccc3n[nH]cc32)c(F)c1F ZINC001174344494 808966286 /nfs/dbraw/zinc/96/62/86/808966286.db2.gz DDKJTJDXNPATQS-UHFFFAOYSA-N -1 3 261.231 3.290 20 0 CGADHM [O-]c1ccc(Nc2cccc3[nH]ncc32)c(F)c1F ZINC001174344494 808966288 /nfs/dbraw/zinc/96/62/88/808966288.db2.gz DDKJTJDXNPATQS-UHFFFAOYSA-N -1 3 261.231 3.290 20 0 CGADHM [O-]c1cc(Nc2ccnc3[nH]ccc32)c(F)cc1F ZINC001174412094 809004922 /nfs/dbraw/zinc/00/49/22/809004922.db2.gz PAZWNGWOFLRBEH-UHFFFAOYSA-N -1 3 261.231 3.242 20 0 CGADHM O=c1ccn(-c2ccc(Nc3ccc4cn[nH]c4c3)cc2)[n-]1 ZINC001174502310 809052449 /nfs/dbraw/zinc/05/24/49/809052449.db2.gz KKNYULKSTRXDIY-UHFFFAOYSA-N -1 3 291.314 3.198 20 0 CGADHM O=c1ccn(-c2ccc(Nc3ccc4c[nH]nc4c3)cc2)[n-]1 ZINC001174502310 809052457 /nfs/dbraw/zinc/05/24/57/809052457.db2.gz KKNYULKSTRXDIY-UHFFFAOYSA-N -1 3 291.314 3.198 20 0 CGADHM Cn1ccc2ccc(Nc3cc(=O)[n-]c(C4CC4)n3)cc21 ZINC001174514927 809056737 /nfs/dbraw/zinc/05/67/37/809056737.db2.gz JAFPLHHZGRGTCT-UHFFFAOYSA-N -1 3 280.331 3.295 20 0 CGADHM [O-]c1cc(F)c(Nc2ccc(O)c(F)c2)cc1F ZINC001174740719 809148582 /nfs/dbraw/zinc/14/85/82/809148582.db2.gz HMRJEPWQCZJIJD-UHFFFAOYSA-N -1 3 255.195 3.259 20 0 CGADHM O=c1cc(Nc2cc(F)c(O)c(F)c2)n(C2CCCC2)[n-]1 ZINC001213370260 815271313 /nfs/dbraw/zinc/27/13/13/815271313.db2.gz BIDFJGBBSXEPLU-UHFFFAOYSA-N -1 3 295.289 3.431 20 0 CGADHM [O-]c1c(F)cc(Nc2cnc(C(F)(F)F)cn2)cc1F ZINC001213373691 815272446 /nfs/dbraw/zinc/27/24/46/815272446.db2.gz SUXIIYHKTYCKMX-UHFFFAOYSA-N -1 3 291.179 3.223 20 0 CGADHM [O-]c1c(F)cc(Nc2nccnc2C(F)(F)F)cc1F ZINC001213377481 815273320 /nfs/dbraw/zinc/27/33/20/815273320.db2.gz QPNWQYUHBYSFHN-UHFFFAOYSA-N -1 3 291.179 3.223 20 0 CGADHM Cc1ccc(CO)c(Nc2cc(F)c([O-])c(F)c2)c1 ZINC001213388599 815275535 /nfs/dbraw/zinc/27/55/35/815275535.db2.gz BSRYUQJIKZKEQX-UHFFFAOYSA-N -1 3 265.259 3.215 20 0 CGADHM Cc1cc(N)c(F)cc1Nc1cc(F)c([O-])c(F)c1 ZINC001213386631 815275560 /nfs/dbraw/zinc/27/55/60/815275560.db2.gz MPOFAZXJFSTEKP-UHFFFAOYSA-N -1 3 268.238 3.444 20 0 CGADHM O=c1[nH]c2ccc(Nc3c(F)cc([O-])cc3F)cc2o1 ZINC001175099657 809270548 /nfs/dbraw/zinc/27/05/48/809270548.db2.gz CPUXZUAVMCNWOT-UHFFFAOYSA-N -1 3 278.214 3.261 20 0 CGADHM C[C@H](O)c1ccccc1Nc1c(F)cc([O-])cc1F ZINC001175099768 809270656 /nfs/dbraw/zinc/27/06/56/809270656.db2.gz RWYQMKNEZIGNAU-QMMMGPOBSA-N -1 3 265.259 3.467 20 0 CGADHM [O-]c1cc(F)c(Nc2cc(F)ccc2CO)c(F)c1 ZINC001175099455 809271120 /nfs/dbraw/zinc/27/11/20/809271120.db2.gz HPSVZMBSJGAQND-UHFFFAOYSA-N -1 3 269.222 3.045 20 0 CGADHM Cc1ncc(Nc2ccc(F)cc2C(F)(F)F)c(=O)[n-]1 ZINC001175101156 809271870 /nfs/dbraw/zinc/27/18/70/809271870.db2.gz TVUQVHZZZYLVCX-UHFFFAOYSA-N -1 3 287.216 3.392 20 0 CGADHM Cc1ccc(O)c(Nc2c(F)ccc([O-])c2F)c1 ZINC001175268082 809332948 /nfs/dbraw/zinc/33/29/48/809332948.db2.gz GSTOSIIULBKAPH-UHFFFAOYSA-N -1 3 251.232 3.428 20 0 CGADHM COC(=O)c1ccccc1Nc1c(F)ccc([O-])c1F ZINC001175267899 809333247 /nfs/dbraw/zinc/33/32/47/809333247.db2.gz KIAKQATXGDPBQD-UHFFFAOYSA-N -1 3 279.242 3.201 20 0 CGADHM Nc1cc(F)cc2c1ccn2-c1c(F)ccc([O-])c1F ZINC001175270026 809333714 /nfs/dbraw/zinc/33/37/14/809333714.db2.gz SGCJPNRHVXQLRI-UHFFFAOYSA-N -1 3 278.233 3.336 20 0 CGADHM [O-]c1cc(F)cnc1Nc1cc(Cl)ccc1F ZINC001175298898 809343924 /nfs/dbraw/zinc/34/39/24/809343924.db2.gz SSANCZITGOEWAD-UHFFFAOYSA-N -1 3 256.639 3.462 20 0 CGADHM CC(C)(C)Cc1cc(Nc2ccc(-c3nn[n-]n3)cc2)on1 ZINC001175423914 809400588 /nfs/dbraw/zinc/40/05/88/809400588.db2.gz XNDVFJRXONZESD-UHFFFAOYSA-N -1 3 298.350 3.187 20 0 CGADHM Fc1ccc(Nc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC001175427816 809401550 /nfs/dbraw/zinc/40/15/50/809401550.db2.gz AHDAJOJOWQUAMT-UHFFFAOYSA-N -1 3 289.701 3.403 20 0 CGADHM Fc1c(Cl)cccc1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175429275 809401875 /nfs/dbraw/zinc/40/18/75/809401875.db2.gz GJCUWGVZXUQFPM-UHFFFAOYSA-N -1 3 289.701 3.403 20 0 CGADHM Cn1cc2cccc(Nc3ncc(Cl)cc3[O-])c2n1 ZINC001175455966 809411739 /nfs/dbraw/zinc/41/17/39/809411739.db2.gz CVUAUYKRTROIDG-UHFFFAOYSA-N -1 3 274.711 3.071 20 0 CGADHM CSc1ccc(NC(=O)c2c(C)cccc2[O-])nc1 ZINC001293342453 809446759 /nfs/dbraw/zinc/44/67/59/809446759.db2.gz SRTBJADMKOUJDI-UHFFFAOYSA-N -1 3 274.345 3.070 20 0 CGADHM CCOc1ncc(Nc2ccc(C)c([O-])c2Cl)cn1 ZINC001175559088 809449937 /nfs/dbraw/zinc/44/99/37/809449937.db2.gz QYDSCYTULGHQCB-UHFFFAOYSA-N -1 3 279.727 3.286 20 0 CGADHM Cc1cc(F)c(F)c(-c2noc(-c3cc(Cl)n[n-]3)n2)c1 ZINC001213500612 815290947 /nfs/dbraw/zinc/29/09/47/815290947.db2.gz LFLLZFCIVDDLEM-UHFFFAOYSA-N -1 3 296.664 3.367 20 0 CGADHM Cc1nc(NC=Cc2ccc(Cl)cc2)cc(=O)[n-]1 ZINC001175593987 809468126 /nfs/dbraw/zinc/46/81/26/809468126.db2.gz MXPZBUHCOUUDTB-VOTSOKGWSA-N -1 3 261.712 3.227 20 0 CGADHM COc1cccc([O-])c1C(=O)N[C@H]1CCC(C)(C)C[C@H]1C ZINC001294397664 809468511 /nfs/dbraw/zinc/46/85/11/809468511.db2.gz VWENAGZSIJHMEZ-NEPJUHHUSA-N -1 3 291.391 3.345 20 0 CGADHM Clc1cc(-c2nc(-c3ccnc4ccccc43)no2)[n-]n1 ZINC001213500999 815292318 /nfs/dbraw/zinc/29/23/18/815292318.db2.gz WHVHGBZEPLNMST-UHFFFAOYSA-N -1 3 297.705 3.328 20 0 CGADHM Cc1cccc([O-])c1C(=O)Nc1cccc(N(C)C)c1C ZINC001295635602 809490359 /nfs/dbraw/zinc/49/03/59/809490359.db2.gz YQZFJJGRNZKGCQ-UHFFFAOYSA-N -1 3 284.359 3.327 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])c1nsc2ccccc21 ZINC001295971292 809497110 /nfs/dbraw/zinc/49/71/10/809497110.db2.gz ALSDNPWYBSFBDP-UHFFFAOYSA-N -1 3 288.303 3.393 20 0 CGADHM Cc1ncc(Nc2ccc(-c3ccccc3)nc2)c(=O)[n-]1 ZINC001175833319 809552485 /nfs/dbraw/zinc/55/24/85/809552485.db2.gz QPFGQUCBPNRRJC-UHFFFAOYSA-N -1 3 278.315 3.296 20 0 CGADHM Cc1nc(Nc2ccc(-c3ccccn3)cc2)cc(=O)[n-]1 ZINC001176037002 809605826 /nfs/dbraw/zinc/60/58/26/809605826.db2.gz KJEATHLQLNHNAU-UHFFFAOYSA-N -1 3 278.315 3.296 20 0 CGADHM C[C@@H]1CCCC[C@H]1CC(=O)[N-]Oc1ccccc1F ZINC001303333265 809608160 /nfs/dbraw/zinc/60/81/60/809608160.db2.gz YVJQCZZGXYONAB-NEPJUHHUSA-N -1 3 265.328 3.452 20 0 CGADHM COc1ccncc1Nc1cccc([O-])c1Cl ZINC001176123463 809629017 /nfs/dbraw/zinc/62/90/17/809629017.db2.gz VDLCVBGKPOFEJZ-UHFFFAOYSA-N -1 3 250.685 3.193 20 0 CGADHM CC(=O)c1oc2cccnc2c1[N-]c1c(C)noc1C ZINC001176177302 809640686 /nfs/dbraw/zinc/64/06/86/809640686.db2.gz PHNSRHOZSFGCQQ-UHFFFAOYSA-N -1 3 271.276 3.379 20 0 CGADHM Cc1nc(Nc2ccc3cc(O)ccc3c2)cc(=O)[n-]1 ZINC001176387173 809682916 /nfs/dbraw/zinc/68/29/16/809682916.db2.gz YHCUIOXAAAUTSP-UHFFFAOYSA-N -1 3 267.288 3.093 20 0 CGADHM O=c1[n-]cncc1NC=Cc1ccc(C(F)(F)F)cc1 ZINC001176661007 809737171 /nfs/dbraw/zinc/73/71/71/809737171.db2.gz GOFQROIGJBPKOY-AATRIKPKSA-N -1 3 281.237 3.284 20 0 CGADHM Cc1ccc(Nc2cnc3nonc3c2)c(Cl)c1[O-] ZINC001176695721 809742469 /nfs/dbraw/zinc/74/24/69/809742469.db2.gz NQCWKRPIUSFGAK-UHFFFAOYSA-N -1 3 276.683 3.029 20 0 CGADHM CCc1ccc(CCC(=O)[N-]Oc2ccccc2F)cc1 ZINC001177109556 809780900 /nfs/dbraw/zinc/78/09/00/809780900.db2.gz KJSQZZFXTLIUJY-UHFFFAOYSA-N -1 3 287.334 3.431 20 0 CGADHM COc1cc(C)cc(-c2noc(-c3nc(C)ccc3[O-])n2)c1 ZINC001213699490 815323377 /nfs/dbraw/zinc/32/33/77/815323377.db2.gz LZFHHVIKLBVNAA-UHFFFAOYSA-N -1 3 297.314 3.130 20 0 CGADHM Cc1cccc(CCC(=O)Nc2ccc(F)c([O-])c2)c1 ZINC001180165358 809981288 /nfs/dbraw/zinc/98/12/88/809981288.db2.gz ALXOKBWLHJSTPX-UHFFFAOYSA-N -1 3 273.307 3.411 20 0 CGADHM CCC(CC)(C(=O)Nc1cncc([O-])c1)c1ccccc1 ZINC001181135040 810040790 /nfs/dbraw/zinc/04/07/90/810040790.db2.gz RDUZZFSDFTZMKM-UHFFFAOYSA-N -1 3 284.359 3.484 20 0 CGADHM C[C@H](O)c1cc(NCc2ccc([O-])c(F)c2)ccc1F ZINC001181621750 810061708 /nfs/dbraw/zinc/06/17/08/810061708.db2.gz HQASBLNJEYTSLG-VIFPVBQESA-N -1 3 279.286 3.336 20 0 CGADHM CCC1(CC)C[C@H]1C(=O)Nc1ccc(F)c([O-])c1 ZINC001181885115 810080269 /nfs/dbraw/zinc/08/02/69/810080269.db2.gz WQHIMFXOINFRER-JTQLQIEISA-N -1 3 251.301 3.296 20 0 CGADHM Cc1ccc2c(c1)[C@H](NC(=O)c1c([O-])cccc1O)CCC2 ZINC001183536365 810151869 /nfs/dbraw/zinc/15/18/69/810151869.db2.gz OIWVUZZTGJEXKJ-CQSZACIVSA-N -1 3 297.354 3.214 20 0 CGADHM CC(=O)c1cccc([O-])c1NC(=O)[C@@H](C)c1ccc(O)cc1 ZINC001184283357 810188422 /nfs/dbraw/zinc/18/84/22/810188422.db2.gz QQFKOBSIPGSNMC-JTQLQIEISA-N -1 3 299.326 3.043 20 0 CGADHM O=C(Nc1nc2c(cccc2[O-])s1)NC1CCCC1 ZINC001185862688 810296831 /nfs/dbraw/zinc/29/68/31/810296831.db2.gz IVXUZCXGWAGJOV-UHFFFAOYSA-N -1 3 277.349 3.066 20 0 CGADHM Cc1ccc(C(F)(F)F)cc1C(=O)Nc1cncc([O-])c1 ZINC001186249122 810324172 /nfs/dbraw/zinc/32/41/72/810324172.db2.gz YQFKZWLXAIILAY-UHFFFAOYSA-N -1 3 296.248 3.367 20 0 CGADHM CCCOc1cc(F)ccc1[N-]c1nnc(C)o1 ZINC001214078586 815365022 /nfs/dbraw/zinc/36/50/22/815365022.db2.gz PZMAZXMQFRHTTE-UHFFFAOYSA-N -1 3 251.261 3.050 20 0 CGADHM O=S(=O)([N-]c1ccc(F)cc1C(F)(F)F)C1CCC1 ZINC001188097113 810453161 /nfs/dbraw/zinc/45/31/61/810453161.db2.gz FDYJWPOPJQVIOS-UHFFFAOYSA-N -1 3 297.273 3.139 20 0 CGADHM Cc1ccc(NC(=O)NCc2ccco2)c(Cl)c1[O-] ZINC001188171542 810463095 /nfs/dbraw/zinc/46/30/95/810463095.db2.gz IVQLGOKBJGYDRL-UHFFFAOYSA-N -1 3 280.711 3.269 20 0 CGADHM Cc1cccc([O-])c1C(=O)NC[C@@H]1CCc2ccccc21 ZINC001188658217 810500431 /nfs/dbraw/zinc/50/04/31/810500431.db2.gz AMWCXDAYPAJGMY-AWEZNQCLSA-N -1 3 281.355 3.160 20 0 CGADHM Cc1cccc([O-])c1C(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC001188659866 810500903 /nfs/dbraw/zinc/50/09/03/810500903.db2.gz QELDPVKJXAPWCG-UONOGXRCSA-N -1 3 285.318 3.126 20 0 CGADHM CC(F)(F)c1ccc(C(=O)Nc2cncc([O-])c2)cc1 ZINC001190499320 810631820 /nfs/dbraw/zinc/63/18/20/810631820.db2.gz PKSDSHMKVRHNNS-UHFFFAOYSA-N -1 3 278.258 3.151 20 0 CGADHM CCC[C@H]1CCCC[C@H]1C[N-]C(=O)C(F)(F)F ZINC001191349755 810703918 /nfs/dbraw/zinc/70/39/18/810703918.db2.gz XKVBDROLCORAHJ-UWVGGRQHSA-N -1 3 251.292 3.271 20 0 CGADHM Cc1ncc(NC(=O)Nc2ccc(Cl)c(C)c2)c(=O)[n-]1 ZINC001191740171 810735711 /nfs/dbraw/zinc/73/57/11/810735711.db2.gz KDKPIGDRSWKFNH-UHFFFAOYSA-N -1 3 292.726 3.096 20 0 CGADHM CCCc1cc(C(=O)Nc2cncc([O-])c2)ccc1F ZINC001191974781 810760612 /nfs/dbraw/zinc/76/06/12/810760612.db2.gz JRNPFXZQVHZOJE-UHFFFAOYSA-N -1 3 274.295 3.131 20 0 CGADHM CC(C)(C)c1ccc(C(=O)NCOc2ccccc2)c([O-])c1 ZINC001192335894 810787568 /nfs/dbraw/zinc/78/75/68/810787568.db2.gz OODMYDLFXXPQPQ-UHFFFAOYSA-N -1 3 299.370 3.456 20 0 CGADHM COCOc1ccc(C)c(Nc2ncc(Cl)cc2[O-])c1 ZINC001214359760 815401928 /nfs/dbraw/zinc/40/19/28/815401928.db2.gz ZKRNWPPDBMQRDE-UHFFFAOYSA-N -1 3 294.738 3.475 20 0 CGADHM CCCC[C@H](C)NC(=O)Nc1cccc(C(C)=O)c1[O-] ZINC001193060470 810848289 /nfs/dbraw/zinc/84/82/89/810848289.db2.gz JGGDIUIOWWZOFP-JTQLQIEISA-N -1 3 278.352 3.295 20 0 CGADHM Cc1sccc1C(=O)Nc1ccc(F)c([O-])c1 ZINC001193378869 810881246 /nfs/dbraw/zinc/88/12/46/810881246.db2.gz HRSIQFIKAPIGKH-UHFFFAOYSA-N -1 3 251.282 3.154 20 0 CGADHM COc1ccnc(Nc2c(Cl)ccc([O-])c2F)c1 ZINC001214553810 815422177 /nfs/dbraw/zinc/42/21/77/815422177.db2.gz AQFMFDWGOHQXFF-UHFFFAOYSA-N -1 3 268.675 3.332 20 0 CGADHM COC(=O)c1ccc(Nc2c(Cl)ccc([O-])c2F)cn1 ZINC001214554011 815422448 /nfs/dbraw/zinc/42/24/48/815422448.db2.gz GYIILWPYOZXYNI-UHFFFAOYSA-N -1 3 296.685 3.110 20 0 CGADHM Cc1ncc(Nc2c(Cl)ccc([O-])c2F)c(C)n1 ZINC001214556352 815423467 /nfs/dbraw/zinc/42/34/67/815423467.db2.gz QBFVECFOKPCPBY-UHFFFAOYSA-N -1 3 267.691 3.335 20 0 CGADHM [O-]c1cc(Cl)cnc1Nc1cccc(Cl)c1CO ZINC001214642957 815437160 /nfs/dbraw/zinc/43/71/60/815437160.db2.gz YEIPDBMEGJLJSF-UHFFFAOYSA-N -1 3 285.130 3.330 20 0 CGADHM Cc1cc(CO)ccc1Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001214660963 815438527 /nfs/dbraw/zinc/43/85/27/815438527.db2.gz CTKQIWANLDMKRZ-UHFFFAOYSA-N -1 3 295.342 3.122 20 0 CGADHM Cc1cc(OC(C)C)ccc1C(=O)Nc1cncc([O-])c1 ZINC001196752845 811362244 /nfs/dbraw/zinc/36/22/44/811362244.db2.gz DCNUWYXKBWJHFO-UHFFFAOYSA-N -1 3 286.331 3.135 20 0 CGADHM CCCOc1cc(Nc2cnc(C)[n-]c2=O)c(Cl)cn1 ZINC001214732729 815446523 /nfs/dbraw/zinc/44/65/23/815446523.db2.gz HTBMCICHTNFGBF-UHFFFAOYSA-N -1 3 294.742 3.071 20 0 CGADHM CCCCNC(=S)Nc1nc2c(cccc2[O-])s1 ZINC001200444508 811690665 /nfs/dbraw/zinc/69/06/65/811690665.db2.gz IVSUGSKRUIDDPV-UHFFFAOYSA-N -1 3 281.406 3.088 20 0 CGADHM CC[C@H](C)NC(=S)Nc1c([O-])cccc1C(F)(F)F ZINC001200486689 811703528 /nfs/dbraw/zinc/70/35/28/811703528.db2.gz GPVHVNWSBDLABV-ZETCQYMHSA-N -1 3 292.326 3.496 20 0 CGADHM CC(=O)c1ccc([N-]c2nc(C)co2)c(F)c1F ZINC001214976851 815471188 /nfs/dbraw/zinc/47/11/88/815471188.db2.gz MHYIFIFCLXNGGH-UHFFFAOYSA-N -1 3 252.220 3.207 20 0 CGADHM Cc1coc([N-]c2cnn(-c3ccccc3)c2C)n1 ZINC001201367508 811820574 /nfs/dbraw/zinc/82/05/74/811820574.db2.gz USEQDTJKCRDIGB-UHFFFAOYSA-N -1 3 254.293 3.221 20 0 CGADHM CC(=O)c1cccc(NC(=O)Nc2ccccc2F)c1[O-] ZINC001202001538 811994422 /nfs/dbraw/zinc/99/44/22/811994422.db2.gz DMTREZBPOUQHPZ-UHFFFAOYSA-N -1 3 288.278 3.378 20 0 CGADHM Cc1ccc([O-])c(NC(=O)Nc2c(F)cccc2F)n1 ZINC001202033639 812001310 /nfs/dbraw/zinc/00/13/10/812001310.db2.gz YLJAPWDJOGEZJW-UHFFFAOYSA-N -1 3 279.246 3.018 20 0 CGADHM CC(=O)c1ccc(-c2noc(-c3c([O-])cccc3O)n2)cc1 ZINC001215302182 815505489 /nfs/dbraw/zinc/50/54/89/815505489.db2.gz SIMTXYDFMYCROF-UHFFFAOYSA-N -1 3 296.282 3.017 20 0 CGADHM O=c1cc(Nc2cccc(Cl)c2F)[nH]c(=S)[n-]1 ZINC001203034625 812222370 /nfs/dbraw/zinc/22/23/70/812222370.db2.gz UFLVNWVDITXSAM-UHFFFAOYSA-N -1 3 271.704 3.007 20 0 CGADHM CSc1ccc(Nc2ccc(C(N)=O)c([O-])c2)c(C)c1 ZINC001215479117 815523232 /nfs/dbraw/zinc/52/32/32/815523232.db2.gz FFRUYRQTKSCXHN-UHFFFAOYSA-N -1 3 288.372 3.265 20 0 CGADHM Cc1cc(Nc2cc(F)c([O-])cc2F)n(C(C)C)n1 ZINC001215569672 815536435 /nfs/dbraw/zinc/53/64/35/815536435.db2.gz CKRJTOHTUCBZBZ-UHFFFAOYSA-N -1 3 267.279 3.500 20 0 CGADHM Nc1cc(Cl)cnc1Nc1cc(F)c([O-])cc1F ZINC001215571797 815537075 /nfs/dbraw/zinc/53/70/75/815537075.db2.gz HEGMCDPINHROFB-UHFFFAOYSA-N -1 3 271.654 3.045 20 0 CGADHM [O-]c1cc(F)c(Nc2nccc3cnccc32)cc1F ZINC001215571566 815537705 /nfs/dbraw/zinc/53/77/05/815537705.db2.gz DLPKGSSPILASLF-UHFFFAOYSA-N -1 3 273.242 3.357 20 0 CGADHM [O-]c1cc(F)cnc1Nc1c2cc[nH]c2ccc1F ZINC001204254195 812589802 /nfs/dbraw/zinc/58/98/02/812589802.db2.gz KGHANMRWBSDBHH-UHFFFAOYSA-N -1 3 261.231 3.290 20 0 CGADHM CCCOc1ccc(C)c(Nc2cnc[n-]c2=O)c1 ZINC001215584817 815542837 /nfs/dbraw/zinc/54/28/37/815542837.db2.gz GVDAEPCHHQATBQ-UHFFFAOYSA-N -1 3 259.309 3.023 20 0 CGADHM O=C([O-])c1sccc1-c1ncccc1CN1CCCC1 ZINC001205565923 813005887 /nfs/dbraw/zinc/00/58/87/813005887.db2.gz XOIOMLSBLWMYSP-UHFFFAOYSA-N -1 3 288.372 3.104 20 0 CGADHM Fc1ccc(-c2ccc(-c3nnn[n-]3)cc2)c(Cl)c1F ZINC001205681886 813050598 /nfs/dbraw/zinc/05/05/98/813050598.db2.gz JGBRFERREXEETF-UHFFFAOYSA-N -1 3 292.676 3.465 20 0 CGADHM Fc1ccc(-c2ccc(-c3nn[n-]n3)cc2)c(Cl)c1F ZINC001205681886 813050605 /nfs/dbraw/zinc/05/06/05/813050605.db2.gz JGBRFERREXEETF-UHFFFAOYSA-N -1 3 292.676 3.465 20 0 CGADHM Cc1ccc2nc([N-]c3cnn4cccnc34)sc2c1 ZINC001205945814 813142822 /nfs/dbraw/zinc/14/28/22/813142822.db2.gz KBJCHNMJZNWOFT-UHFFFAOYSA-N -1 3 281.344 3.391 20 0 CGADHM CSc1ccc(F)cc1-c1cccc(-c2nnn[n-]2)c1 ZINC001205983689 813151776 /nfs/dbraw/zinc/15/17/76/813151776.db2.gz NSABQWKFAVASGT-UHFFFAOYSA-N -1 3 286.335 3.395 20 0 CGADHM CSc1ccc(F)cc1-c1cccc(-c2nn[n-]n2)c1 ZINC001205983689 813151782 /nfs/dbraw/zinc/15/17/82/813151782.db2.gz NSABQWKFAVASGT-UHFFFAOYSA-N -1 3 286.335 3.395 20 0 CGADHM CSc1cc(Nc2cc(=O)[n-]c(=S)[nH]2)ccc1F ZINC001215794190 815594376 /nfs/dbraw/zinc/59/43/76/815594376.db2.gz KLUVWDJXCFRMLU-UHFFFAOYSA-N -1 3 283.353 3.076 20 0 CGADHM Cc1ccc2c(c1)ncnc2-c1ccc([O-])cc1F ZINC001206029784 813171177 /nfs/dbraw/zinc/17/11/77/813171177.db2.gz JRFYJMCWKADAOA-UHFFFAOYSA-N -1 3 254.264 3.450 20 0 CGADHM CSc1ncc(C)c(-c2ccc([O-])cc2F)n1 ZINC001206029547 813171246 /nfs/dbraw/zinc/17/12/46/813171246.db2.gz CDQWSSAZHKTCBO-UHFFFAOYSA-N -1 3 250.298 3.019 20 0 CGADHM CCOC(=O)c1cnc(-c2ccc([O-])cc2F)c(C)c1 ZINC001206030482 813173007 /nfs/dbraw/zinc/17/30/07/813173007.db2.gz YEKDFFUTERRTQA-UHFFFAOYSA-N -1 3 275.279 3.078 20 0 CGADHM O=c1c(-c2ccc([O-])cc2F)cccn1C1CCC1 ZINC001206080455 813192993 /nfs/dbraw/zinc/19/29/93/813192993.db2.gz KTKPGVIQVFZTMP-UHFFFAOYSA-N -1 3 259.280 3.085 20 0 CGADHM O=C1c2c(cccc2-c2ccc([O-])cc2F)CN1C1CC1 ZINC001206080136 813193472 /nfs/dbraw/zinc/19/34/72/813193472.db2.gz AZPRZRYZQRHSMR-UHFFFAOYSA-N -1 3 283.302 3.317 20 0 CGADHM [O-]c1cccc2sc(Nc3ccccc3O)nc21 ZINC001206188904 813233905 /nfs/dbraw/zinc/23/39/05/813233905.db2.gz SGOBRRSWQSUSTO-UHFFFAOYSA-N -1 3 258.302 3.451 20 0 CGADHM Cc1ccc(-c2ccc(C(C)(C)O)cc2)cc1-c1nnn[n-]1 ZINC001242627221 823070004 /nfs/dbraw/zinc/07/00/04/823070004.db2.gz ZXKYZNBGQUKZAN-UHFFFAOYSA-N -1 3 294.358 3.070 20 0 CGADHM Cc1ccc(-c2ccc(C(C)(C)O)cc2)cc1-c1nn[n-]n1 ZINC001242627221 823070007 /nfs/dbraw/zinc/07/00/07/823070007.db2.gz ZXKYZNBGQUKZAN-UHFFFAOYSA-N -1 3 294.358 3.070 20 0 CGADHM CCc1cc(OC)ccc1-c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001242700400 823104981 /nfs/dbraw/zinc/10/49/81/823104981.db2.gz OWQCWAHXLUQTIS-UHFFFAOYSA-N -1 3 298.321 3.244 20 0 CGADHM CCc1cc(OC)ccc1-c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001242700400 823104983 /nfs/dbraw/zinc/10/49/83/823104983.db2.gz OWQCWAHXLUQTIS-UHFFFAOYSA-N -1 3 298.321 3.244 20 0 CGADHM CO[C@H](C)c1cccc(Nc2ncc(F)cc2[O-])c1 ZINC001209949303 814210095 /nfs/dbraw/zinc/21/00/95/814210095.db2.gz IGXAESXSKMXABJ-SECBINFHSA-N -1 3 262.284 3.377 20 0 CGADHM CO[C@@H](C)c1cccc(Nc2ncc(F)cc2[O-])c1 ZINC001209949304 814210219 /nfs/dbraw/zinc/21/02/19/814210219.db2.gz IGXAESXSKMXABJ-VIFPVBQESA-N -1 3 262.284 3.377 20 0 CGADHM Cc1nc(Nc2ccccc2OC(C)C)cc(=O)[n-]1 ZINC001210020534 814247804 /nfs/dbraw/zinc/24/78/04/814247804.db2.gz ITXDHXYHXDONGA-UHFFFAOYSA-N -1 3 259.309 3.021 20 0 CGADHM CCOC(=O)c1nnsc1[N-]c1cc(F)c(C)c(F)c1 ZINC001210106800 814292708 /nfs/dbraw/zinc/29/27/08/814292708.db2.gz IUYTZTYXKPQXOF-UHFFFAOYSA-N -1 3 299.302 3.045 20 0 CGADHM O=c1cc[nH]c(Cl)c1Nc1cccc(F)c1[O-] ZINC001210195718 814331856 /nfs/dbraw/zinc/33/18/56/814331856.db2.gz QDMKYCYKCRYIAF-UHFFFAOYSA-N -1 3 254.648 3.029 20 0 CGADHM [O-]c1c(Cl)cccc1Nc1ncncc1Cl ZINC001210216140 814345224 /nfs/dbraw/zinc/34/52/24/814345224.db2.gz DEPAFPCNXVIOAB-UHFFFAOYSA-N -1 3 256.092 3.233 20 0 CGADHM [O-]c1c(Cl)cccc1Nc1ccc(-n2cncn2)cc1 ZINC001210219435 814345966 /nfs/dbraw/zinc/34/59/66/814345966.db2.gz KACOFZQIKCUOKZ-UHFFFAOYSA-N -1 3 286.722 3.370 20 0 CGADHM Nc1nc2ccccc2nc1Nc1cccc(Cl)c1[O-] ZINC001210220438 814348857 /nfs/dbraw/zinc/34/88/57/814348857.db2.gz VWVBGQBAEPWCCZ-UHFFFAOYSA-N -1 3 286.722 3.315 20 0 CGADHM CNC(=O)Cc1ccccc1Nc1cccc(Cl)c1[O-] ZINC001210223201 814350224 /nfs/dbraw/zinc/35/02/24/814350224.db2.gz NWCHBMLMGPAVSS-UHFFFAOYSA-N -1 3 290.750 3.078 20 0 CGADHM O=C1OCc2cccc(Nc3cccc(Cl)c3[O-])c21 ZINC001210223795 814351233 /nfs/dbraw/zinc/35/12/33/814351233.db2.gz VOHOEXRYFCKSEJ-UHFFFAOYSA-N -1 3 275.691 3.460 20 0 CGADHM CNC(=O)c1ccc(Nc2cccc(Cl)c2[O-])c(F)c1 ZINC001210223567 814351387 /nfs/dbraw/zinc/35/13/87/814351387.db2.gz SICOIZUMFWMRSB-UHFFFAOYSA-N -1 3 294.713 3.288 20 0 CGADHM CC(C)n1ccc([N-]c2cc(-c3ccccn3)no2)n1 ZINC001210341137 814410919 /nfs/dbraw/zinc/41/09/19/814410919.db2.gz CLIJFVKSLRTBSB-UHFFFAOYSA-N -1 3 269.308 3.258 20 0 CGADHM [O-]c1cc(Cl)cnc1Nc1ccc2ocnc2c1 ZINC001210570777 814533803 /nfs/dbraw/zinc/53/38/03/814533803.db2.gz YEPXRIDLOGAXPK-UHFFFAOYSA-N -1 3 261.668 3.325 20 0 CGADHM Cc1oncc1Nc1cc(Br)cc(F)c1[O-] ZINC001210583702 814542294 /nfs/dbraw/zinc/54/22/94/814542294.db2.gz SRAZZNKHWWIIQN-UHFFFAOYSA-N -1 3 287.088 3.334 20 0 CGADHM Cc1cc2cc(N)cnc2n1-c1cccc([O-])c1Cl ZINC001210851830 814650526 /nfs/dbraw/zinc/65/05/26/814650526.db2.gz MSMSBJDSHSHMIS-UHFFFAOYSA-N -1 3 273.723 3.275 20 0 CGADHM Nc1cc2cn(-c3cccc([O-])c3Cl)nc2cc1F ZINC001210854709 814651958 /nfs/dbraw/zinc/65/19/58/814651958.db2.gz KOLOWKQZXCJSJH-UHFFFAOYSA-N -1 3 277.686 3.106 20 0 CGADHM COC(=O)c1ccc(O)cc1Nc1cccc([O-])c1Cl ZINC001210859740 814653299 /nfs/dbraw/zinc/65/32/99/814653299.db2.gz MFIGSBDRKFPFCB-UHFFFAOYSA-N -1 3 293.706 3.281 20 0 CGADHM [O-]c1cccc(Nc2cccc(F)c2CO)c1Cl ZINC001210859597 814654006 /nfs/dbraw/zinc/65/40/06/814654006.db2.gz HBTOCDIGJGTWAB-UHFFFAOYSA-N -1 3 267.687 3.421 20 0 CGADHM COC(=O)c1c(O)cccc1Nc1cccc([O-])c1Cl ZINC001210860242 814654922 /nfs/dbraw/zinc/65/49/22/814654922.db2.gz RRMJMVSSMFKDEP-UHFFFAOYSA-N -1 3 293.706 3.281 20 0 CGADHM CCCCOc1ccc(Nc2cnc[n-]c2=O)c(C)c1 ZINC001211283478 814870173 /nfs/dbraw/zinc/87/01/73/814870173.db2.gz UJXXNMIPDYQQGI-UHFFFAOYSA-N -1 3 273.336 3.413 20 0 CGADHM O=c1cc(Nc2cc(F)ccc2Cl)[nH]c(=S)[n-]1 ZINC001216476974 815835079 /nfs/dbraw/zinc/83/50/79/815835079.db2.gz MRZLRGWLRZGBPG-UHFFFAOYSA-N -1 3 271.704 3.007 20 0 CGADHM Cc1cccc([O-])c1-c1nc(-c2cnc(C)c(C)c2)no1 ZINC001216537334 815854226 /nfs/dbraw/zinc/85/42/26/815854226.db2.gz ZWRDBXLGCKYTKD-UHFFFAOYSA-N -1 3 281.315 3.429 20 0 CGADHM COc1ccc(-c2noc(-c3nc4ccccc4[n-]3)n2)cc1 ZINC001217136975 815910928 /nfs/dbraw/zinc/91/09/28/815910928.db2.gz LUOLSGOTJQGCFY-UHFFFAOYSA-N -1 3 292.298 3.289 20 0 CGADHM CCCc1c([O-])ccc(C(C)=O)c1OC1CCC(O)CC1 ZINC001218364683 816180562 /nfs/dbraw/zinc/18/05/62/816180562.db2.gz KCQGOWIYNKQLOX-UHFFFAOYSA-N -1 3 292.375 3.230 20 0 CGADHM [O-]c1cc(-c2ccc(OC3CCOCC3)nc2)ccc1F ZINC001243046779 823223846 /nfs/dbraw/zinc/22/38/46/823223846.db2.gz LEZGRUGIQMPXEX-UHFFFAOYSA-N -1 3 289.306 3.151 20 0 CGADHM CSc1nc(C)cc(-c2ccc(F)c([O-])c2)n1 ZINC001243046945 823224208 /nfs/dbraw/zinc/22/42/08/823224208.db2.gz ANTTVAJGUZJYKZ-UHFFFAOYSA-N -1 3 250.298 3.019 20 0 CGADHM CC1(C)C(=O)NCc2cccc(-c3ccc(F)c([O-])c3)c21 ZINC001243047530 823224660 /nfs/dbraw/zinc/22/46/60/823224660.db2.gz UHQNJESGBUIMDL-UHFFFAOYSA-N -1 3 285.318 3.106 20 0 CGADHM O=C1CCCN1c1ccc(-c2ccc(F)c([O-])c2)cc1 ZINC001243048121 823224825 /nfs/dbraw/zinc/22/48/25/823224825.db2.gz HNMZDYVRXBRPGH-UHFFFAOYSA-N -1 3 271.291 3.325 20 0 CGADHM Cc1ccc2ncc(-c3ccc(F)c([O-])c3)nc2c1 ZINC001243048054 823224921 /nfs/dbraw/zinc/22/49/21/823224921.db2.gz KBCLSGGYPQYYQI-UHFFFAOYSA-N -1 3 254.264 3.450 20 0 CGADHM CCOC(=O)CCc1cccnc1-c1ccc(F)c([O-])c1 ZINC001243048900 823226021 /nfs/dbraw/zinc/22/60/21/823226021.db2.gz IWAMDFWSBLISNS-UHFFFAOYSA-N -1 3 289.306 3.089 20 0 CGADHM CSc1ncc(-c2ccc(F)c([O-])c2)c(C)n1 ZINC001243052007 823228536 /nfs/dbraw/zinc/22/85/36/823228536.db2.gz VIRYERBTRRCXCW-UHFFFAOYSA-N -1 3 250.298 3.019 20 0 CGADHM CCOC(=O)c1ccc(OC)c(-c2ccc(F)c([O-])c2)c1 ZINC001243051663 823228756 /nfs/dbraw/zinc/22/87/56/823228756.db2.gz SJCNIHIAELQPCN-UHFFFAOYSA-N -1 3 290.290 3.384 20 0 CGADHM Cc1cc2ncccc2nc1-c1ccc(F)c([O-])c1 ZINC001243051697 823228758 /nfs/dbraw/zinc/22/87/58/823228758.db2.gz XWKKLTCOHHBOEL-UHFFFAOYSA-N -1 3 254.264 3.450 20 0 CGADHM CCOC(=O)COc1ccc(-c2ccc(F)c([O-])c2)cc1 ZINC001243052440 823228761 /nfs/dbraw/zinc/22/87/61/823228761.db2.gz VNEUEWAUNPQFJW-UHFFFAOYSA-N -1 3 290.290 3.140 20 0 CGADHM Nc1ccc2cccc(-c3ccc(F)c([O-])c3)c2n1 ZINC001243062213 823231900 /nfs/dbraw/zinc/23/19/00/823231900.db2.gz LHMAHYVIXQEXLR-UHFFFAOYSA-N -1 3 254.264 3.329 20 0 CGADHM CC(C)Oc1cncc(COc2ccc3c([O-])coc3c2)c1 ZINC001225340498 817018397 /nfs/dbraw/zinc/01/83/97/817018397.db2.gz OQNUNJVLMAQKIE-UHFFFAOYSA-N -1 3 299.326 3.023 20 0 CGADHM Cc1cccc2c1[C@@H](Oc1[n-]c(=S)ncc1C)CC2 ZINC001225742762 817163637 /nfs/dbraw/zinc/16/36/37/817163637.db2.gz PFAPVTXPZDTXJW-LBPRGKRZSA-N -1 3 272.373 3.448 20 0 CGADHM Cc1c(=O)[n-]cnc1O[C@H]1Cc2cccc3cccc1c23 ZINC001226070957 817264812 /nfs/dbraw/zinc/26/48/12/817264812.db2.gz JNSMRYQMMUKNRL-AWEZNQCLSA-N -1 3 278.311 3.320 20 0 CGADHM Cc1c(=O)[n-]cnc1O[C@H](C)c1cccc(Cl)c1 ZINC001226075095 817266487 /nfs/dbraw/zinc/26/64/87/817266487.db2.gz FJFJXZCWOIZFHV-SECBINFHSA-N -1 3 264.712 3.284 20 0 CGADHM C[C@@H](Oc1c([O-])ccc2ccc(=O)oc21)c1ccccn1 ZINC001226597204 817410215 /nfs/dbraw/zinc/41/02/15/817410215.db2.gz QYTYSQMNOZLZTI-SNVBAGLBSA-N -1 3 283.283 3.034 20 0 CGADHM CC1(C)C[C@@H](Oc2cccc([O-])c2Cl)CCO1 ZINC001226708121 817441105 /nfs/dbraw/zinc/44/11/05/817441105.db2.gz ASLHBDQRYFSZAO-VIFPVBQESA-N -1 3 256.729 3.382 20 0 CGADHM CCOc1ccc([C@H](C)Oc2ccnc(=S)[n-]2)cc1 ZINC001226939549 817511628 /nfs/dbraw/zinc/51/16/28/817511628.db2.gz IZDZPKMLKUONDX-JTQLQIEISA-N -1 3 276.361 3.304 20 0 CGADHM CCc1cnc(=S)[n-]c1OC[C@@H](C)Oc1ccccc1 ZINC001227061312 817546620 /nfs/dbraw/zinc/54/66/20/817546620.db2.gz GZSHCHXPEAVNDN-LLVKDONJSA-N -1 3 290.388 3.174 20 0 CGADHM CCCC[C@@H](Oc1ccc(=O)[n-]n1)c1ccccc1 ZINC001227094030 817556688 /nfs/dbraw/zinc/55/66/88/817556688.db2.gz YSBBBOBPPSWZFZ-CYBMUJFWSA-N -1 3 258.321 3.493 20 0 CGADHM CCCCC[C@H](CC)Oc1nc(C(=O)OC)ccc1[O-] ZINC001227819613 817727145 /nfs/dbraw/zinc/72/71/45/817727145.db2.gz CVOIOYJXHWCHAL-NSHDSACASA-N -1 3 281.352 3.312 20 0 CGADHM C[C@H](COCc1ccccc1)Oc1ncc(Cl)cc1[O-] ZINC001227981185 817772221 /nfs/dbraw/zinc/77/22/21/817772221.db2.gz UNMQHEVMIJHLFW-LLVKDONJSA-N -1 3 293.750 3.425 20 0 CGADHM C[C@@H](Oc1ncc(Cl)cc1[O-])c1nccs1 ZINC001227982326 817772668 /nfs/dbraw/zinc/77/26/68/817772668.db2.gz BWCYDNBHEGDPOM-ZCFIWIBFSA-N -1 3 256.714 3.037 20 0 CGADHM CCCc1c([O-])ccc(C(C)=O)c1OC1CCC(=O)CC1 ZINC001228134102 817819965 /nfs/dbraw/zinc/81/99/65/817819965.db2.gz MYVWOEXSRKREMX-UHFFFAOYSA-N -1 3 290.359 3.438 20 0 CGADHM Cc1cc(=O)oc2c1ccc([O-])c2O[C@H](C)C(C)C ZINC001228623991 817956595 /nfs/dbraw/zinc/95/65/95/817956595.db2.gz WANCLZRXPOKADM-SNVBAGLBSA-N -1 3 262.305 3.230 20 0 CGADHM CC(C)C1CCC(Oc2n[n-]c(-c3ccncc3)n2)CC1 ZINC001228698383 817977185 /nfs/dbraw/zinc/97/71/85/817977185.db2.gz WYCMEPDTPPULIK-UHFFFAOYSA-N -1 3 286.379 3.460 20 0 CGADHM CCC(CC)[C@@H](CC)Oc1n[n-]c(-c2ccncc2)n1 ZINC001228698420 817978971 /nfs/dbraw/zinc/97/89/71/817978971.db2.gz YDJQHYSJKZSGGC-CYBMUJFWSA-N -1 3 274.368 3.460 20 0 CGADHM CC1(C)CCC[C@@H](Oc2nnc(-c3cccnc3)[n-]2)C1 ZINC001228699489 817979964 /nfs/dbraw/zinc/97/99/64/817979964.db2.gz XXJKDCJBIMDRSQ-GFCCVEGCSA-N -1 3 272.352 3.214 20 0 CGADHM CC1(C)CCC[C@@H](Oc2nc(-c3cccnc3)n[n-]2)C1 ZINC001228699489 817979969 /nfs/dbraw/zinc/97/99/69/817979969.db2.gz XXJKDCJBIMDRSQ-GFCCVEGCSA-N -1 3 272.352 3.214 20 0 CGADHM CC1(C)CCC[C@@H](Oc2n[n-]c(-c3cccnc3)n2)C1 ZINC001228699489 817979974 /nfs/dbraw/zinc/97/99/74/817979974.db2.gz XXJKDCJBIMDRSQ-GFCCVEGCSA-N -1 3 272.352 3.214 20 0 CGADHM Cc1ccc(-c2cc(C(F)(F)F)[n-]c(=S)n2)cc1O ZINC001243229855 823304540 /nfs/dbraw/zinc/30/45/40/823304540.db2.gz ULSMUBMLLUCBML-UHFFFAOYSA-N -1 3 286.278 3.465 20 0 CGADHM C[C@H](COC(C)(C)C)Oc1cc2c(cc1[O-])CCC2=O ZINC001228857806 818024537 /nfs/dbraw/zinc/02/45/37/818024537.db2.gz OREJOBVZUUWLJC-SNVBAGLBSA-N -1 3 278.348 3.104 20 0 CGADHM C[C@H]1C[C@H](Oc2cccc(-c3nnn[n-]3)c2)C[C@@H](C)C1 ZINC001231118371 818036270 /nfs/dbraw/zinc/03/62/70/818036270.db2.gz MPWNJQSCKXWTKA-YABSGUDNSA-N -1 3 272.352 3.070 20 0 CGADHM C[C@H]1C[C@H](Oc2cccc(-c3nn[n-]n3)c2)C[C@@H](C)C1 ZINC001231118371 818036276 /nfs/dbraw/zinc/03/62/76/818036276.db2.gz MPWNJQSCKXWTKA-YABSGUDNSA-N -1 3 272.352 3.070 20 0 CGADHM O=C([O-])c1ccc(F)c(CN2C[C@@H]3CC(F)(F)C[C@@H]3C2)c1 ZINC001231456501 818102908 /nfs/dbraw/zinc/10/29/08/818102908.db2.gz BFACSFNSVNJUPV-TXEJJXNPSA-N -1 3 299.292 3.001 20 0 CGADHM O=C([O-])c1ccc(F)c(CN2CCC3(CC(F)C3)CC2)c1 ZINC001231457915 818103295 /nfs/dbraw/zinc/10/32/95/818103295.db2.gz YPRGQHUZTZXFRW-UHFFFAOYSA-N -1 3 295.329 3.238 20 0 CGADHM CC1(C)CN(Cc2ccc([O-])c(C(F)(F)F)c2)C1 ZINC001231524087 818120188 /nfs/dbraw/zinc/12/01/88/818120188.db2.gz MBSPQIIOXBATJQ-UHFFFAOYSA-N -1 3 259.271 3.253 20 0 CGADHM [O-]c1ccc(CN2CCC[C@@H]2CF)cc1C(F)(F)F ZINC001231527003 818120650 /nfs/dbraw/zinc/12/06/50/818120650.db2.gz FLFPAUBFEMUCBH-SNVBAGLBSA-N -1 3 277.261 3.345 20 0 CGADHM [O-]c1cc(CN2CCC(CF)CC2)ccc1Cl ZINC001231733623 818161365 /nfs/dbraw/zinc/16/13/65/818161365.db2.gz BCWCMERRHHBLHB-UHFFFAOYSA-N -1 3 257.736 3.227 20 0 CGADHM C[C@H]1CCC[C@H](C)N1Cc1ccc(F)c([O-])c1F ZINC001232932100 818475706 /nfs/dbraw/zinc/47/57/06/818475706.db2.gz BQHHWOTWARNULP-UWVGGRQHSA-N -1 3 255.308 3.433 20 0 CGADHM CC1(C)CCN(Cc2ccc(F)c([O-])c2F)CC1 ZINC001232935596 818476789 /nfs/dbraw/zinc/47/67/89/818476789.db2.gz VDZVOJKLEJNXCY-UHFFFAOYSA-N -1 3 255.308 3.292 20 0 CGADHM [O-]c1cc(CN2CC[C@@H](c3ccccn3)C2)cc(F)c1F ZINC001232970515 818487247 /nfs/dbraw/zinc/48/72/47/818487247.db2.gz FILXMNRWFXHRBZ-GFCCVEGCSA-N -1 3 290.313 3.055 20 0 CGADHM CN(Cc1cccs1)Cc1cc([O-])c(F)c(F)c1 ZINC001232970589 818488705 /nfs/dbraw/zinc/48/87/05/818488705.db2.gz HBBPCHKVDYBJQY-UHFFFAOYSA-N -1 3 269.316 3.364 20 0 CGADHM CC[C@H]1CCCCN1Cc1cc(Cl)ncc1[O-] ZINC001233035053 818504407 /nfs/dbraw/zinc/50/44/07/818504407.db2.gz WOWRHEATKCEEAZ-NSHDSACASA-N -1 3 254.761 3.205 20 0 CGADHM C[C@]1(CF)CC(F)(F)CN1Cc1cccc([O-])c1F ZINC001233050569 818510619 /nfs/dbraw/zinc/51/06/19/818510619.db2.gz QAJLFTGTVQWYBD-GFCCVEGCSA-N -1 3 277.261 3.101 20 0 CGADHM [O-]c1ccc(F)c(CN2CCC[C@H]2C(F)(F)F)c1F ZINC001233393761 818609210 /nfs/dbraw/zinc/60/92/10/818609210.db2.gz LCLNPOQNNWFGCJ-JTQLQIEISA-N -1 3 281.224 3.197 20 0 CGADHM COC(C)(C)[C@H]1CCCN1Cc1c(F)ccc([O-])c1F ZINC001233395906 818610590 /nfs/dbraw/zinc/61/05/90/818610590.db2.gz YNBBHLYNSYRCME-CYBMUJFWSA-N -1 3 285.334 3.060 20 0 CGADHM COc1ccc(CN2CCc3occc3C2)c(Cl)c1[O-] ZINC001233401386 818612134 /nfs/dbraw/zinc/61/21/34/818612134.db2.gz XQDVTVBOCPFNOC-UHFFFAOYSA-N -1 3 293.750 3.206 20 0 CGADHM CC(C)[C@H](Oc1cccc([O-])c1F)C(F)(F)F ZINC001233867366 818720350 /nfs/dbraw/zinc/72/03/50/818720350.db2.gz DCZIMMGRVVYECF-JTQLQIEISA-N -1 3 252.207 3.497 20 0 CGADHM CC[C@H](C[C@@H](C)CC)Oc1cccc([O-])c1C(N)=O ZINC001234150826 818793055 /nfs/dbraw/zinc/79/30/55/818793055.db2.gz YJIVXJDCVKPSDS-WDEREUQCSA-N -1 3 265.353 3.085 20 0 CGADHM Cc1nn(C)cc1[C@@H](C)Oc1c(Cl)ccc([O-])c1F ZINC001234264334 818821025 /nfs/dbraw/zinc/82/10/25/818821025.db2.gz QKCXGCMAZLHSPC-MRVPVSSYSA-N -1 3 284.718 3.367 20 0 CGADHM C[C@@H]1C[C@H](Oc2c([O-])cc(Cl)cc2F)CCO1 ZINC001234443042 818856131 /nfs/dbraw/zinc/85/61/31/818856131.db2.gz AMCYIWGYWNGFKZ-VXNVDRBHSA-N -1 3 260.692 3.131 20 0 CGADHM C[C@H]1CCC[C@H]1Oc1nc[n-]c(=O)c1-c1ccccc1 ZINC001234689426 818915670 /nfs/dbraw/zinc/91/56/70/818915670.db2.gz RHXUZWDNTRQSMX-WCQYABFASA-N -1 3 270.332 3.417 20 0 CGADHM C[C@H](Oc1nc2ccsc2[n-]1)c1ncccc1F ZINC001234847372 818931641 /nfs/dbraw/zinc/93/16/41/818931641.db2.gz IGKLFSCVRZKMFT-ZETCQYMHSA-N -1 3 263.297 3.299 20 0 CGADHM CSc1nccc(-c2cc([O-])cc(Cl)c2)n1 ZINC001235898757 819207722 /nfs/dbraw/zinc/20/77/22/819207722.db2.gz BZPYSAYQPHMRTI-UHFFFAOYSA-N -1 3 252.726 3.225 20 0 CGADHM CSc1cnc(-c2cc([O-])cc(Cl)c2)cn1 ZINC001235907427 819217544 /nfs/dbraw/zinc/21/75/44/819217544.db2.gz ZRESQXHMFPVCJV-UHFFFAOYSA-N -1 3 252.726 3.225 20 0 CGADHM Clc1ccc(-c2cncc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC001235963918 819252513 /nfs/dbraw/zinc/25/25/13/819252513.db2.gz RVWGRKOYCBVZLP-UHFFFAOYSA-N -1 3 292.129 3.236 20 0 CGADHM Clc1ccc(-c2cncc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC001235963918 819252517 /nfs/dbraw/zinc/25/25/17/819252517.db2.gz RVWGRKOYCBVZLP-UHFFFAOYSA-N -1 3 292.129 3.236 20 0 CGADHM O=C([O-])c1ccc(-c2cc(N3CCCC3)ccn2)cc1 ZINC001236055895 819291015 /nfs/dbraw/zinc/29/10/15/819291015.db2.gz PXDSOMPNQDVEFP-UHFFFAOYSA-N -1 3 268.316 3.047 20 0 CGADHM COc1ncc(F)cc1-c1c(F)ccc(C)c1[O-] ZINC001236402419 819451999 /nfs/dbraw/zinc/45/19/99/819451999.db2.gz ATOFISKVSITKKY-UHFFFAOYSA-N -1 3 251.232 3.049 20 0 CGADHM COc1ccnc(F)c1-c1c(F)ccc(C)c1[O-] ZINC001236423899 819470335 /nfs/dbraw/zinc/47/03/35/819470335.db2.gz DQHDPJZYBPSCAQ-UHFFFAOYSA-N -1 3 251.232 3.049 20 0 CGADHM CN(Cc1sc(=O)[n-]c1Cl)Cc1ccc(F)cc1 ZINC001237160740 819684649 /nfs/dbraw/zinc/68/46/49/819684649.db2.gz JPPXDHYWNBZILD-UHFFFAOYSA-N -1 3 286.759 3.273 20 0 CGADHM [O-]c1cc(F)cc(CN(Cc2ccco2)C2CC2)c1 ZINC001237283505 819717871 /nfs/dbraw/zinc/71/78/71/819717871.db2.gz NUNLJCRLJSHPSC-UHFFFAOYSA-N -1 3 261.296 3.289 20 0 CGADHM C[C@@H]1CCCN(Cc2cc(F)c([O-])c(Cl)c2)C1 ZINC001237983509 819902108 /nfs/dbraw/zinc/90/21/08/819902108.db2.gz BSXBBQNDHSBHLQ-SECBINFHSA-N -1 3 257.736 3.417 20 0 CGADHM Nc1cnc2c(cccc2-c2cccc([O-])c2F)c1 ZINC001243545300 823437997 /nfs/dbraw/zinc/43/79/97/823437997.db2.gz CNVBZWJXTONIEW-UHFFFAOYSA-N -1 3 254.264 3.329 20 0 CGADHM CC1(C)NC(=O)Cc2c(-c3cccc([O-])c3F)cccc21 ZINC001243545494 823438303 /nfs/dbraw/zinc/43/83/03/823438303.db2.gz CKCBUNFRYIUVIP-UHFFFAOYSA-N -1 3 285.318 3.106 20 0 CGADHM COc1cc(SC)c(-c2cccc([O-])c2F)cn1 ZINC001243545485 823438379 /nfs/dbraw/zinc/43/83/79/823438379.db2.gz CAMVWJPRWHEHDY-UHFFFAOYSA-N -1 3 265.309 3.324 20 0 CGADHM CC(=O)N1CCCc2ccc(-c3cccc([O-])c3F)cc21 ZINC001243546080 823439230 /nfs/dbraw/zinc/43/92/30/823439230.db2.gz HHBRSNAAQZHQMF-UHFFFAOYSA-N -1 3 285.318 3.497 20 0 CGADHM COCc1cc(-c2cccc([O-])c2F)nc(C(C)(C)C)n1 ZINC001243547332 823439659 /nfs/dbraw/zinc/43/96/59/823439659.db2.gz WHPSLNDDHVYLRU-UHFFFAOYSA-N -1 3 290.338 3.432 20 0 CGADHM [O-]c1cccc(-c2cncc(N3CCCCCC3)n2)c1F ZINC001243547049 823439762 /nfs/dbraw/zinc/43/97/62/823439762.db2.gz UGBSYJOBHOZYRR-UHFFFAOYSA-N -1 3 287.338 3.369 20 0 CGADHM FC(F)n1cc(-c2cc(C(F)(F)F)[n-]c(=S)n2)cn1 ZINC001238864764 820138491 /nfs/dbraw/zinc/13/84/91/820138491.db2.gz VEHPTATZUDAOBY-UHFFFAOYSA-N -1 3 296.224 3.043 20 0 CGADHM CC(C)n1ccc(-c2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC001239069735 820213484 /nfs/dbraw/zinc/21/34/84/820213484.db2.gz KGNDKGPHCUWLGP-UHFFFAOYSA-N -1 3 271.299 3.055 20 0 CGADHM CC(C)n1ccc(-c2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC001239069735 820213491 /nfs/dbraw/zinc/21/34/91/820213491.db2.gz KGNDKGPHCUWLGP-UHFFFAOYSA-N -1 3 271.299 3.055 20 0 CGADHM Cc1ccc(-c2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC001239482337 820332256 /nfs/dbraw/zinc/33/22/56/820332256.db2.gz PGPVEDWOTAKWER-UHFFFAOYSA-N -1 3 250.305 3.151 20 0 CGADHM Cc1ccc(-c2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC001239482337 820332267 /nfs/dbraw/zinc/33/22/67/820332267.db2.gz PGPVEDWOTAKWER-UHFFFAOYSA-N -1 3 250.305 3.151 20 0 CGADHM CC(C)Oc1cccc(-c2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC001239970004 820748804 /nfs/dbraw/zinc/74/88/04/820748804.db2.gz BCPYNVLXZIZMEX-UHFFFAOYSA-N -1 3 298.321 3.460 20 0 CGADHM CC(C)Oc1cccc(-c2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC001239970004 820748811 /nfs/dbraw/zinc/74/88/11/820748811.db2.gz BCPYNVLXZIZMEX-UHFFFAOYSA-N -1 3 298.321 3.460 20 0 CGADHM CC(=O)NCc1ccc(-c2ccc3c(c2)[N-]C(=S)C3)cc1 ZINC001240153944 820863935 /nfs/dbraw/zinc/86/39/35/820863935.db2.gz QPEXATYKMZIHSB-UHFFFAOYSA-N -1 3 296.395 3.285 20 0 CGADHM FC(F)(F)c1cc(-c2ccnc3[nH]ccc32)nc(=S)[n-]1 ZINC001240411097 821032379 /nfs/dbraw/zinc/03/23/79/821032379.db2.gz ILIWZTPUIUHDLS-UHFFFAOYSA-N -1 3 296.277 3.327 20 0 CGADHM c1cc2cc(-c3ccccc3-c3nnn[n-]3)ccc2o1 ZINC001240423742 821044602 /nfs/dbraw/zinc/04/46/02/821044602.db2.gz OHJHYJIZADSZJF-UHFFFAOYSA-N -1 3 262.272 3.280 20 0 CGADHM c1cc2cc(-c3ccccc3-c3nn[n-]n3)ccc2o1 ZINC001240423742 821044609 /nfs/dbraw/zinc/04/46/09/821044609.db2.gz OHJHYJIZADSZJF-UHFFFAOYSA-N -1 3 262.272 3.280 20 0 CGADHM [O-]c1ccc(-c2ncnc3c(F)c(F)ccc23)cc1F ZINC001240786493 821326133 /nfs/dbraw/zinc/32/61/33/821326133.db2.gz VRYBDUKTCJSFAU-UHFFFAOYSA-N -1 3 276.217 3.420 20 0 CGADHM [O-]c1ccc(-c2ccnc(OC(F)F)c2)cc1F ZINC001240786301 821326292 /nfs/dbraw/zinc/32/62/92/821326292.db2.gz FKIVIJZDNKIRCI-UHFFFAOYSA-N -1 3 255.195 3.195 20 0 CGADHM Nc1ccnc2cc(-c3ccc(C(=O)[O-])s3)ccc12 ZINC001240847255 821367351 /nfs/dbraw/zinc/36/73/51/821367351.db2.gz FLJYURLASZGWFX-UHFFFAOYSA-N -1 3 270.313 3.244 20 0 CGADHM Cc1ccc(C(=O)[O-])cc1-c1ccc2c(N)ccnc2c1 ZINC001241002707 821482398 /nfs/dbraw/zinc/48/23/98/821482398.db2.gz KYNLFWJCBMMRIS-UHFFFAOYSA-N -1 3 278.311 3.491 20 0 CGADHM CC(C)(C)C(=O)Nc1ccc(N)nc1-c1ccccc1[O-] ZINC001241008643 821485383 /nfs/dbraw/zinc/48/53/83/821485383.db2.gz UWZFSFNUAKLUOM-UHFFFAOYSA-N -1 3 285.347 3.021 20 0 CGADHM [O-]c1ccccc1-c1cc2c(nn1)-c1ccccc1OC2 ZINC001241009219 821487128 /nfs/dbraw/zinc/48/71/28/821487128.db2.gz NZKRGKXYMXKEIE-UHFFFAOYSA-N -1 3 276.295 3.409 20 0 CGADHM COc1cc2cnnc(-c3ccc(C)cc3[O-])c2cc1OC ZINC001241030334 821504891 /nfs/dbraw/zinc/50/48/91/821504891.db2.gz IHCBOLUGNCGWRS-UHFFFAOYSA-N -1 3 296.326 3.328 20 0 CGADHM CCOc1cccc(-c2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC001241115750 821570269 /nfs/dbraw/zinc/57/02/69/821570269.db2.gz DIPJDLLSERQRDF-UHFFFAOYSA-N -1 3 284.294 3.072 20 0 CGADHM CCOc1cccc(-c2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC001241115750 821570274 /nfs/dbraw/zinc/57/02/74/821570274.db2.gz DIPJDLLSERQRDF-UHFFFAOYSA-N -1 3 284.294 3.072 20 0 CGADHM CCOc1ccc(C)cc1-c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001241148281 821601349 /nfs/dbraw/zinc/60/13/49/821601349.db2.gz VNTQWIHGWPBARB-UHFFFAOYSA-N -1 3 298.321 3.380 20 0 CGADHM CCOc1ccc(C)cc1-c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001241148281 821601353 /nfs/dbraw/zinc/60/13/53/821601353.db2.gz VNTQWIHGWPBARB-UHFFFAOYSA-N -1 3 298.321 3.380 20 0 CGADHM CC(C)Oc1cc(F)cc(-c2ccc(=S)[n-]n2)c1 ZINC001241164894 821610055 /nfs/dbraw/zinc/61/00/55/821610055.db2.gz FTRXVNMGXRVQFL-UHFFFAOYSA-N -1 3 264.325 3.359 20 0 CGADHM Cc1cc(-c2nnn[n-]2)ccc1-c1c(F)cc(F)cc1F ZINC001241173482 821617351 /nfs/dbraw/zinc/61/73/51/821617351.db2.gz CDTPLNKDYWJRGT-UHFFFAOYSA-N -1 3 290.248 3.259 20 0 CGADHM Cc1cc(-c2nn[n-]n2)ccc1-c1c(F)cc(F)cc1F ZINC001241173482 821617354 /nfs/dbraw/zinc/61/73/54/821617354.db2.gz CDTPLNKDYWJRGT-UHFFFAOYSA-N -1 3 290.248 3.259 20 0 CGADHM Cc1cc(C(F)(F)F)c(-c2cc([O-])cc(F)c2)nn1 ZINC001241262055 821680972 /nfs/dbraw/zinc/68/09/72/821680972.db2.gz VMSKWVYWCSFEJA-UHFFFAOYSA-N -1 3 272.201 3.316 20 0 CGADHM [O-]c1cc(F)cc(-c2ccc(N3CCOCC3)cc2F)c1 ZINC001241271249 821689761 /nfs/dbraw/zinc/68/97/61/821689761.db2.gz OFTLXJYLSPAHBP-UHFFFAOYSA-N -1 3 291.297 3.174 20 0 CGADHM O=C1CSc2cc(-c3cc([O-])cc(F)c3)ccc2N1 ZINC001241271495 821690360 /nfs/dbraw/zinc/69/03/60/821690360.db2.gz QFGKAHXKIOGSJQ-UHFFFAOYSA-N -1 3 275.304 3.243 20 0 CGADHM CC(=O)Nc1cc(-c2cc([O-])cc(F)c2)ccc1C ZINC001241271256 821690415 /nfs/dbraw/zinc/69/04/15/821690415.db2.gz OKUIXFRGKAYXBQ-UHFFFAOYSA-N -1 3 259.280 3.465 20 0 CGADHM CCOc1ccc(-c2ccc(F)c(-c3nnn[n-]3)c2)c(C)c1 ZINC001241272958 821690886 /nfs/dbraw/zinc/69/08/86/821690886.db2.gz OENLHHFBHXOCCF-UHFFFAOYSA-N -1 3 298.321 3.380 20 0 CGADHM CCOc1ccc(-c2ccc(F)c(-c3nn[n-]n3)c2)c(C)c1 ZINC001241272958 821690890 /nfs/dbraw/zinc/69/08/90/821690890.db2.gz OENLHHFBHXOCCF-UHFFFAOYSA-N -1 3 298.321 3.380 20 0 CGADHM COc1cc(F)c(-c2cc([O-])cc(F)c2)cc1F ZINC001241272725 821691058 /nfs/dbraw/zinc/69/10/58/821691058.db2.gz XTILETFDEVRLDT-UHFFFAOYSA-N -1 3 254.207 3.485 20 0 CGADHM Cn1c(=O)cc(-c2cc([O-])cc(F)c2)c2ccccc21 ZINC001241283696 821703444 /nfs/dbraw/zinc/70/34/44/821703444.db2.gz YBQZUPYTLMDJLS-UHFFFAOYSA-N -1 3 269.275 3.050 20 0 CGADHM COC(=O)c1cc(F)ccc1-c1c(F)ccc([O-])c1F ZINC001241290579 821706549 /nfs/dbraw/zinc/70/65/49/821706549.db2.gz AFOZZXXEFMEJLW-UHFFFAOYSA-N -1 3 282.217 3.263 20 0 CGADHM C[C@@H]1Oc2ccc(-c3c(F)ccc([O-])c3F)cc2NC1=O ZINC001241292679 821709272 /nfs/dbraw/zinc/70/92/72/821709272.db2.gz HGAPFVKQAKYBRM-ZETCQYMHSA-N -1 3 291.253 3.057 20 0 CGADHM CN(C)Cc1ccnc(-c2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC001241348024 821752039 /nfs/dbraw/zinc/75/20/39/821752039.db2.gz XBJGCBSZIWKBOT-UHFFFAOYSA-N -1 3 290.750 3.162 20 0 CGADHM Fc1cc2ncccc2cc1-c1ccc(-c2nnn[n-]2)cc1 ZINC001241443121 821836526 /nfs/dbraw/zinc/83/65/26/821836526.db2.gz OHJUJGOIVCSRFR-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Fc1cc2ncccc2cc1-c1ccc(-c2nn[n-]n2)cc1 ZINC001241443121 821836536 /nfs/dbraw/zinc/83/65/36/821836536.db2.gz OHJUJGOIVCSRFR-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM CCCOc1ncc(-c2ccc(-c3nnn[n-]3)cc2)cc1C ZINC001241445769 821839809 /nfs/dbraw/zinc/83/98/09/821839809.db2.gz XLJZAUVFZOEUTG-UHFFFAOYSA-N -1 3 295.346 3.026 20 0 CGADHM CCCOc1ncc(-c2ccc(-c3nn[n-]n3)cc2)cc1C ZINC001241445769 821839815 /nfs/dbraw/zinc/83/98/15/821839815.db2.gz XLJZAUVFZOEUTG-UHFFFAOYSA-N -1 3 295.346 3.026 20 0 CGADHM CCCOc1cc(F)ccc1-c1ccc(-c2nnn[n-]2)cc1 ZINC001241446022 821840281 /nfs/dbraw/zinc/84/02/81/821840281.db2.gz HCNGJSFGBVKLSM-UHFFFAOYSA-N -1 3 298.321 3.462 20 0 CGADHM CCCOc1cc(F)ccc1-c1ccc(-c2nn[n-]n2)cc1 ZINC001241446022 821840293 /nfs/dbraw/zinc/84/02/93/821840293.db2.gz HCNGJSFGBVKLSM-UHFFFAOYSA-N -1 3 298.321 3.462 20 0 CGADHM COC(=O)c1nc2nc(-c3cc(C)c(C)cc3C)ccc2[n-]1 ZINC001241635121 822013353 /nfs/dbraw/zinc/01/33/53/822013353.db2.gz FUMDBVZSNOLCSC-UHFFFAOYSA-N -1 3 295.342 3.337 20 0 CGADHM COC(=O)c1nc2ccc(-c3cc(C)c(C)cc3C)nc2[n-]1 ZINC001241635121 822013361 /nfs/dbraw/zinc/01/33/61/822013361.db2.gz FUMDBVZSNOLCSC-UHFFFAOYSA-N -1 3 295.342 3.337 20 0 CGADHM COC(=O)c1nc2ccc(-c3cc(C)c(C)cc3C)[n-]c-2n1 ZINC001241635121 822013369 /nfs/dbraw/zinc/01/33/69/822013369.db2.gz FUMDBVZSNOLCSC-UHFFFAOYSA-N -1 3 295.342 3.337 20 0 CGADHM CCCOc1ccc(-c2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC001241747983 822121203 /nfs/dbraw/zinc/12/12/03/822121203.db2.gz OJYRJTAKQMZYDW-UHFFFAOYSA-N -1 3 298.321 3.462 20 0 CGADHM CCCOc1ccc(-c2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC001241747983 822121209 /nfs/dbraw/zinc/12/12/09/822121209.db2.gz OJYRJTAKQMZYDW-UHFFFAOYSA-N -1 3 298.321 3.462 20 0 CGADHM CO[C@@H](C)c1cccc(-c2cc(F)cc(-c3nnn[n-]3)c2)c1 ZINC001242039981 822300625 /nfs/dbraw/zinc/30/06/25/822300625.db2.gz GLHOPGNYFZTMNF-JTQLQIEISA-N -1 3 298.321 3.380 20 0 CGADHM CO[C@@H](C)c1cccc(-c2cc(F)cc(-c3nn[n-]n3)c2)c1 ZINC001242039981 822300634 /nfs/dbraw/zinc/30/06/34/822300634.db2.gz GLHOPGNYFZTMNF-JTQLQIEISA-N -1 3 298.321 3.380 20 0 CGADHM Cc1ccc2ccc(F)c(-c3ccc(=S)[n-]n3)c2n1 ZINC001242052824 822307958 /nfs/dbraw/zinc/30/79/58/822307958.db2.gz NPZOALQEOTVKMV-UHFFFAOYSA-N -1 3 271.320 3.428 20 0 CGADHM Cc1nc(-c2ccc([O-])c(C(F)(F)F)c2)nc2nc[nH]c21 ZINC001242151028 822895440 /nfs/dbraw/zinc/89/54/40/822895440.db2.gz DMBKNCDZYZAVQS-UHFFFAOYSA-N -1 3 294.236 3.004 20 0 CGADHM NC(=O)Cc1ccccc1-c1ccc([O-])c(C(F)(F)F)c1 ZINC001242166797 822900945 /nfs/dbraw/zinc/90/09/45/822900945.db2.gz YRAIEFPKTISQNS-UHFFFAOYSA-N -1 3 295.260 3.106 20 0 CGADHM CCn1ccc(-c2ccc([O-])c(C(F)(F)F)c2)cc1=O ZINC001242165414 822900969 /nfs/dbraw/zinc/90/09/69/822900969.db2.gz AYRBSFRGLWNMOE-UHFFFAOYSA-N -1 3 283.249 3.260 20 0 CGADHM COC(OC)c1ccccc1-c1ccc(F)cc1[O-] ZINC001242217892 822914861 /nfs/dbraw/zinc/91/48/61/822914861.db2.gz LUYMMYXHUJRHMB-UHFFFAOYSA-N -1 3 262.280 3.490 20 0 CGADHM CCOC(=O)c1cc(C)c(-c2ccc(F)cc2[O-])cn1 ZINC001242219356 822915770 /nfs/dbraw/zinc/91/57/70/822915770.db2.gz FSIPUNYVYZPDAZ-UHFFFAOYSA-N -1 3 275.279 3.078 20 0 CGADHM [O-]c1cc(F)ccc1-c1ccccc1N1CCOCC1 ZINC001242219013 822915858 /nfs/dbraw/zinc/91/58/58/822915858.db2.gz UZZBELNXXKOMSM-UHFFFAOYSA-N -1 3 273.307 3.035 20 0 CGADHM Cn1cc(-c2ccc(F)cc2[O-])c2ccccc2c1=O ZINC001242221977 822917285 /nfs/dbraw/zinc/91/72/85/822917285.db2.gz ZICTVBBRSIGPLV-UHFFFAOYSA-N -1 3 269.275 3.050 20 0 CGADHM COC(=O)c1c(F)cc(-c2ccc(F)cc2[O-])cc1OC ZINC001242221974 822917518 /nfs/dbraw/zinc/91/75/18/822917518.db2.gz QLQNPSINOWCTMJ-UHFFFAOYSA-N -1 3 294.253 3.133 20 0 CGADHM Cc1ccc(-c2ccc(N(C)C)c(C)c2)cc1-c1nnn[n-]1 ZINC001242241525 822923665 /nfs/dbraw/zinc/92/36/65/822923665.db2.gz JOSLOBHHSVRVNE-UHFFFAOYSA-N -1 3 293.374 3.217 20 0 CGADHM Cc1ccc(-c2ccc(N(C)C)c(C)c2)cc1-c1nn[n-]n1 ZINC001242241525 822923667 /nfs/dbraw/zinc/92/36/67/822923667.db2.gz JOSLOBHHSVRVNE-UHFFFAOYSA-N -1 3 293.374 3.217 20 0 CGADHM CCOC(=O)Cc1ccccc1-c1cccc(F)c1[O-] ZINC001242350372 822960524 /nfs/dbraw/zinc/96/05/24/822960524.db2.gz CXRZAJPLJLTRBF-UHFFFAOYSA-N -1 3 274.291 3.304 20 0 CGADHM CN(Cc1ccc(-c2cccc(F)c2[O-])nc1)C1CC1 ZINC001242350334 822960678 /nfs/dbraw/zinc/96/06/78/822960678.db2.gz MRECPTYOAFRRGL-UHFFFAOYSA-N -1 3 272.323 3.188 20 0 CGADHM COCCOc1ccc(-c2cccc(F)c2[O-])cc1 ZINC001242351661 822961822 /nfs/dbraw/zinc/96/18/22/822961822.db2.gz NPKMSLGZWXCZDE-UHFFFAOYSA-N -1 3 262.280 3.224 20 0 CGADHM [O-]c1c(F)cccc1-c1cccc(N2CCOCC2)c1 ZINC001242351765 822962120 /nfs/dbraw/zinc/96/21/20/822962120.db2.gz RXSCMTKBWJRTID-UHFFFAOYSA-N -1 3 273.307 3.035 20 0 CGADHM [O-]c1c(F)cccc1-c1ccnc(OCC2CC2)c1 ZINC001242352736 822962503 /nfs/dbraw/zinc/96/25/03/822962503.db2.gz OWBUKLSWPPTQEK-UHFFFAOYSA-N -1 3 259.280 3.382 20 0 CGADHM CC1(C)Cc2cc(-c3cccc(F)c3[O-])ccc2C(=O)N1 ZINC001242354196 822963013 /nfs/dbraw/zinc/96/30/13/822963013.db2.gz SVLUBYPXZLSESL-UHFFFAOYSA-N -1 3 285.318 3.263 20 0 CGADHM CCOc1cc(-c2cccc(F)c2[O-])cnc1F ZINC001242354292 822963462 /nfs/dbraw/zinc/96/34/62/822963462.db2.gz XJAMZKXPYMISCS-UHFFFAOYSA-N -1 3 251.232 3.131 20 0 CGADHM Cc1cc(Cl)cc(-c2ccccc2-c2nnn[n-]2)c1 ZINC001242518276 823017517 /nfs/dbraw/zinc/01/75/17/823017517.db2.gz KIMQDZBKAZTOSQ-UHFFFAOYSA-N -1 3 270.723 3.496 20 0 CGADHM Cc1cc(Cl)cc(-c2ccccc2-c2nn[n-]n2)c1 ZINC001242518276 823017519 /nfs/dbraw/zinc/01/75/19/823017519.db2.gz KIMQDZBKAZTOSQ-UHFFFAOYSA-N -1 3 270.723 3.496 20 0 CGADHM C[C@]1(COC(=O)c2cccc3[n-]c(C(F)F)nc32)C[C@@H]1F ZINC001343760952 936513022 /nfs/dbraw/zinc/51/30/22/936513022.db2.gz JVVLWRLNVFUGKA-LKFCYVNXSA-N -1 3 298.264 3.405 20 0 CGADHM CC(C)(Cc1ccc(O)cc1)C(=O)[N-]OCc1ccccc1 ZINC001357262379 937168503 /nfs/dbraw/zinc/16/85/03/937168503.db2.gz RWFMQTNIALFXBI-UHFFFAOYSA-N -1 3 299.370 3.209 20 0 CGADHM O=C(c1cc2sccc2c([O-])c1)N1C2CCC1CC2 ZINC001440886592 937334675 /nfs/dbraw/zinc/33/46/75/937334675.db2.gz ZAQYXASNDWTQHY-UHFFFAOYSA-N -1 3 273.357 3.374 20 0 CGADHM CCc1ccc(C(=O)N[C@@H]2CCC[C@H](SC)C2)c([O-])c1 ZINC001444076598 937349601 /nfs/dbraw/zinc/34/96/01/937349601.db2.gz CRZGILXYLZEZTQ-OLZOCXBDSA-N -1 3 293.432 3.359 20 0 CGADHM CC(C)[C@@H](CO)O[N-]C(=O)CC(C)(C)C1CCCCC1 ZINC001450097680 937383476 /nfs/dbraw/zinc/38/34/76/937383476.db2.gz MMXHPUNLDSEXJC-CQSZACIVSA-N -1 3 285.428 3.048 20 0 CGADHM O=C(N[C@@H]1c2ccccc2CC[C@H]1F)c1ccccc1[O-] ZINC001455171124 937415295 /nfs/dbraw/zinc/41/52/95/937415295.db2.gz RWSMWDLUEXJHHT-GDBMZVCRSA-N -1 3 285.318 3.148 20 0 CGADHM O=C(NCc1cscc1Cl)c1ccccc1[O-] ZINC001455863108 937422746 /nfs/dbraw/zinc/42/27/46/937422746.db2.gz WWQNMOIDLVGSEL-UHFFFAOYSA-N -1 3 267.737 3.037 20 0 CGADHM CC(C)CO[N-]C(=O)C[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001457726866 937445327 /nfs/dbraw/zinc/44/53/27/937445327.db2.gz YWAHHOGYXLAZEG-GHMZBOCLSA-N -1 3 281.318 3.449 20 0 CGADHM C[C@H]1C[C@@H](Oc2cccc([O-])c2Br)CCO1 ZINC001229143343 932105013 /nfs/dbraw/zinc/10/50/13/932105013.db2.gz VNHUPUWQUSJZJY-IUCAKERBSA-N -1 3 287.153 3.101 20 0 CGADHM CC1(C)C[C@@H](Oc2nc(=S)[n-]c3sccc32)CCO1 ZINC001229570905 932172988 /nfs/dbraw/zinc/17/29/88/932172988.db2.gz WUVSGMYCVQYTBW-QMMMGPOBSA-N -1 3 296.417 3.316 20 0 CGADHM COc1ccc([C@@H](C)Oc2nc(C)[n-]c(=O)c2C)c(F)c1 ZINC001229693032 932470208 /nfs/dbraw/zinc/47/02/08/932470208.db2.gz XMOCQUXXVOEUGW-SECBINFHSA-N -1 3 292.310 3.087 20 0 CGADHM c1ccc([C@@H](Oc2ccccc2-c2nnn[n-]2)C2CC2)cc1 ZINC001229958668 932509274 /nfs/dbraw/zinc/50/92/74/932509274.db2.gz UBAVALGTCGJPAQ-MRXNPFEDSA-N -1 3 292.342 3.397 20 0 CGADHM c1ccc([C@@H](Oc2ccccc2-c2nn[n-]n2)C2CC2)cc1 ZINC001229958668 932509275 /nfs/dbraw/zinc/50/92/75/932509275.db2.gz UBAVALGTCGJPAQ-MRXNPFEDSA-N -1 3 292.342 3.397 20 0 CGADHM Cc1cccc([C@H](C)Oc2nc(=O)[n-]c3c2SCC3)c1 ZINC001230792857 932624879 /nfs/dbraw/zinc/62/48/79/932624879.db2.gz UNSAOSJLHOBXTQ-JTQLQIEISA-N -1 3 288.372 3.279 20 0 CGADHM C[C@@H](Oc1nc(=O)[n-]c2c1SCC2)c1cccc(F)c1 ZINC001230790228 932624965 /nfs/dbraw/zinc/62/49/65/932624965.db2.gz JQJARRKJLQUWRQ-MRVPVSSYSA-N -1 3 292.335 3.110 20 0 CGADHM C[C@H]1CCC[C@H]1Oc1nc(=O)[n-]cc1-c1ccccc1 ZINC001230970907 932650234 /nfs/dbraw/zinc/65/02/34/932650234.db2.gz OHUAXWASBASUFE-SMDDNHRTSA-N -1 3 270.332 3.417 20 0 CGADHM CCC[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)[C@@H](C)CC ZINC001231073013 932670871 /nfs/dbraw/zinc/67/08/71/932670871.db2.gz IKAQOKRDXXQTGI-SMDDNHRTSA-N -1 3 274.368 3.460 20 0 CGADHM c1cc(-c2nn[n-]n2)ccc1O[C@H]1CCC=CCCC1 ZINC001231074655 932672676 /nfs/dbraw/zinc/67/26/76/932672676.db2.gz XNBCPRGPFPPQKE-ZDUSSCGKSA-N -1 3 270.336 3.134 20 0 CGADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)c1cccc(F)c1 ZINC001231073473 932672688 /nfs/dbraw/zinc/67/26/88/932672688.db2.gz LAYYTTPSMLMLIS-SNVBAGLBSA-N -1 3 284.294 3.146 20 0 CGADHM C[C@@H]1c2cnccc2C[C@@H]1Oc1nc2ccsc2[n-]1 ZINC001234854476 932687371 /nfs/dbraw/zinc/68/73/71/932687371.db2.gz LIDHYZCBEVJOHD-PELKAZGASA-N -1 3 271.345 3.127 20 0 CGADHM C[C@@H]1c2cnccc2C[C@@H]1Oc1nc2sccc2[n-]1 ZINC001234854476 932687374 /nfs/dbraw/zinc/68/73/74/932687374.db2.gz LIDHYZCBEVJOHD-PELKAZGASA-N -1 3 271.345 3.127 20 0 CGADHM C/C(=C/C1CCC(C)CC1)C(=O)Nc1ncccc1[O-] ZINC001466805259 937712569 /nfs/dbraw/zinc/71/25/69/937712569.db2.gz DAPLXRIXWMGWLU-BENRWUELSA-N -1 3 274.364 3.498 20 0 CGADHM CCCCCC(CCCCC)NC(=O)c1cc(=O)[n-]cn1 ZINC001546156315 937708820 /nfs/dbraw/zinc/70/88/20/937708820.db2.gz NZWGSPUMUBCKKK-UHFFFAOYSA-N -1 3 293.411 3.441 20 0 CGADHM C[C@H](Cc1cccc(F)c1)N(C)C(=O)c1ccccc1[O-] ZINC001468858020 937732331 /nfs/dbraw/zinc/73/23/31/937732331.db2.gz OMZVRGBFEKHPKM-GFCCVEGCSA-N -1 3 287.334 3.235 20 0 CGADHM Cc1cc(C(=O)Nc2ncccc2[O-])c2ccc(F)cc2n1 ZINC001320022051 933981503 /nfs/dbraw/zinc/98/15/03/933981503.db2.gz DTGJHFIZUMNLAT-UHFFFAOYSA-N -1 3 297.289 3.035 20 0 CGADHM CC[C@@H](NC(=O)c1ccc(C)cc1[O-])[C@H]1CC1(C)C ZINC001469143147 937735765 /nfs/dbraw/zinc/73/57/65/937735765.db2.gz VCGDBVXWCPOIFR-CHWSQXEVSA-N -1 3 261.365 3.255 20 0 CGADHM Cc1cccc([O-])c1C(=O)NC[C@H]1C[C@@H]1Cc1ccccc1 ZINC001472374121 937775710 /nfs/dbraw/zinc/77/57/10/937775710.db2.gz MAJFHNNZHZTHQZ-JKSUJKDBSA-N -1 3 295.382 3.309 20 0 CGADHM O=C([O-])[C@@H](NCc1ccc2c(c1)CCC2)c1ccc(F)cc1 ZINC001326117443 934952589 /nfs/dbraw/zinc/95/25/89/934952589.db2.gz ZZOMEKVANOXOBS-KRWDZBQOSA-N -1 3 299.345 3.230 20 0 CGADHM Cc1nc2c(c(=O)[n-]1)CN([C@H](C)c1ccc3c(c1)CCC3)C2 ZINC001473690070 937817572 /nfs/dbraw/zinc/81/75/72/937817572.db2.gz XDJNLOGTLUFOCP-LLVKDONJSA-N -1 3 295.386 3.056 20 0 CGADHM CCc1cc(=O)[n-]c(-c2ccc(NC/C=C/C3CC3)nc2)n1 ZINC001327801439 935085451 /nfs/dbraw/zinc/08/54/51/935085451.db2.gz ZPTNMRIOLKPGKX-ONEGZZNKSA-N -1 3 296.374 3.185 20 0 CGADHM C[C@@H](NC1CC(C)(C(=O)[O-])C1)c1nc(C(C)(C)C)cs1 ZINC001331942915 935425311 /nfs/dbraw/zinc/42/53/11/935425311.db2.gz HIRQBFMIMBXKTJ-SBTGLGLWSA-N -1 3 296.436 3.345 20 0 CGADHM Cc1nc(CN[C@H]2C[C@@H](CCC(=O)[O-])C2(C)C)sc1C ZINC001334409045 936102017 /nfs/dbraw/zinc/10/20/17/936102017.db2.gz XWYVHVMJACEYAT-NEPJUHHUSA-N -1 3 296.436 3.129 20 0 CGADHM CC(C)(C)O[N-]C(=O)[C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21 ZINC001335407944 936143779 /nfs/dbraw/zinc/14/37/79/936143779.db2.gz NKYWAMRQTXVSRM-KGYLQXTDSA-N -1 3 279.767 3.072 20 0 CGADHM [O-]c1ccc(CN2C[C@@H](C3CC3)[C@H]2C2CC2)c(F)c1F ZINC001474531212 937865182 /nfs/dbraw/zinc/86/51/82/937865182.db2.gz KIYJCKXSCTXUAH-BLLLJJGKSA-N -1 3 279.330 3.291 20 0 CGADHM Cc1nocc1[N-]C(=O)c1ccc(Br)s1 ZINC001530846629 938079737 /nfs/dbraw/zinc/07/97/37/938079737.db2.gz GVXQXINNNMSDOR-UHFFFAOYSA-N -1 3 287.138 3.059 20 0 CGADHM CC[C@H]1CCC[C@]1(C)C(=O)[N-]OCc1ccccc1 ZINC001540601386 938132418 /nfs/dbraw/zinc/13/24/18/938132418.db2.gz WDRNOWSTEFXDJX-HOCLYGCPSA-N -1 3 261.365 3.451 20 0 CGADHM Cc1cccc([O-])c1C(=O)Nc1ccc(-c2ncc[nH]2)cc1 ZINC001542442356 938135982 /nfs/dbraw/zinc/13/59/82/938135982.db2.gz RVWIMDWADIZBDK-UHFFFAOYSA-N -1 3 293.326 3.343 20 0 CGADHM CSc1ccc([O-])c(C(=O)NC[C@H]2CCC[C@@H]2C)c1 ZINC001556342943 938203196 /nfs/dbraw/zinc/20/31/96/938203196.db2.gz FSBSFVBOZJVYQL-WDEREUQCSA-N -1 3 279.405 3.280 20 0 CGADHM O=C(N[C@@H]1CCCc2ccc(F)cc21)c1ccccc1[O-] ZINC001556485639 938204175 /nfs/dbraw/zinc/20/41/75/938204175.db2.gz HCQDBSCSZBYPQM-OAHLLOKOSA-N -1 3 285.318 3.339 20 0 CGADHM Cc1cc(C)c(C(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)s1 ZINC001556723051 938205415 /nfs/dbraw/zinc/20/54/15/938205415.db2.gz OQEFQHSYFRXAGB-UHFFFAOYSA-N -1 3 287.344 3.199 20 0 CGADHM c1[n-][nH]c2ncnc(=NC3CCC4(CCCCC4)CC3)c1-2 ZINC001559166355 938221618 /nfs/dbraw/zinc/22/16/18/938221618.db2.gz IRORBGCCDMTBOD-UHFFFAOYSA-N -1 3 285.395 3.031 20 0 CGADHM Cc1cccc(N(C)Cc2cc(=O)[n-]c(C3CC3)n2)c1C ZINC001559492191 938227729 /nfs/dbraw/zinc/22/77/29/938227729.db2.gz HRNFRNVIDGYPOQ-UHFFFAOYSA-N -1 3 283.375 3.313 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-][C@H](C)C2CCCCCC2)o1 ZINC001561457428 938294738 /nfs/dbraw/zinc/29/47/38/938294738.db2.gz DJQWVBHXKNZENP-GFCCVEGCSA-N -1 3 285.409 3.225 20 0 CGADHM O=C([O-])c1ccccc1CNCc1cc2ccccc2o1 ZINC001595255640 949603157 /nfs/dbraw/zinc/60/31/57/949603157.db2.gz UTZJOYHEGFOGIY-UHFFFAOYSA-N -1 3 281.311 3.421 20 0 CGADHM COC1(C)CCN(Cc2cccc(C(=O)[O-])c2Cl)CC1 ZINC000381553290 971764370 /nfs/dbraw/zinc/76/43/70/971764370.db2.gz UZMJEXIGSUZWFW-UHFFFAOYSA-N -1 3 297.782 3.039 20 0 CGADHM O=C([O-])CC[C@H]1CCCN(CCc2c(F)cccc2F)C1 ZINC000402043430 951666775 /nfs/dbraw/zinc/66/67/75/951666775.db2.gz ICXDOIHBLQCCMH-GFCCVEGCSA-N -1 3 297.345 3.084 20 0 CGADHM CCN(CC)[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC000037361163 957271301 /nfs/dbraw/zinc/27/13/01/957271301.db2.gz LPQQWBLIHVWSGA-LLVKDONJSA-N -1 3 276.163 3.461 20 0 CGADHM C[C@H](CCCNCc1csc(C(C)(C)C)n1)C(=O)[O-] ZINC001321907432 958795631 /nfs/dbraw/zinc/79/56/31/958795631.db2.gz REBCTIGKKSWPLB-SNVBAGLBSA-N -1 3 284.425 3.031 20 0 CGADHM C[C@@H]1CCC[C@H](C(=O)[O-])N1Cc1cccc(Cl)c1F ZINC001594216508 959336495 /nfs/dbraw/zinc/33/64/95/959336495.db2.gz YOYROVGOPHCZTJ-BXKDBHETSA-N -1 3 285.746 3.307 20 0 CGADHM CCCC[C@H](N[C@H](C)c1nc(C(=O)[O-])co1)C1CCC1 ZINC001595637867 960531267 /nfs/dbraw/zinc/53/12/67/960531267.db2.gz VUZMURZRZUUSQY-PWSUYJOCSA-N -1 3 280.368 3.382 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])c1ccc(F)s1 ZINC001566638980 960971919 /nfs/dbraw/zinc/97/19/19/960971919.db2.gz NACGULNOEWKWFQ-UHFFFAOYSA-N -1 3 271.700 3.499 20 0 CGADHM CCc1ccc(C(C)(C)NC(=O)c2ccc(N)cc2[O-])cc1 ZINC001578253672 962576849 /nfs/dbraw/zinc/57/68/49/962576849.db2.gz IWOMQJWEDWOGKS-UHFFFAOYSA-N -1 3 298.386 3.202 20 0 CGADHM Fc1cc(-c2nnn[n-]2)ccc1SC[C@@H]1C[C@H]2C[C@H]2C1 ZINC001581852392 962754198 /nfs/dbraw/zinc/75/41/98/962754198.db2.gz YNCPHFMLZSSEQO-GUDFOSOFSA-N -1 3 290.367 3.144 20 0 CGADHM Fc1cc(-c2nn[n-]n2)ccc1SC[C@@H]1C[C@H]2C[C@H]2C1 ZINC001581852392 962754207 /nfs/dbraw/zinc/75/42/07/962754207.db2.gz YNCPHFMLZSSEQO-GUDFOSOFSA-N -1 3 290.367 3.144 20 0 CGADHM C[C@H](N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21)c1ccncc1 ZINC001589124406 963346486 /nfs/dbraw/zinc/34/64/86/963346486.db2.gz XEMGOWXAQVPGPH-IUIKQTSFSA-N -1 3 282.343 3.045 20 0 CGADHM CCOc1cccc(CN(C)Cc2ccc(C(=O)[O-])cc2)c1 ZINC000315885857 963947331 /nfs/dbraw/zinc/94/73/31/963947331.db2.gz BGDXEUJFLQOYJP-UHFFFAOYSA-N -1 3 299.370 3.416 20 0 CGADHM CCCN(CC(=O)[O-])Cc1c(Cl)cccc1OCC ZINC001603667452 974042026 /nfs/dbraw/zinc/04/20/26/974042026.db2.gz WIOCPAIDZGFJBP-UHFFFAOYSA-N -1 3 285.771 3.035 20 0 CGADHM CC(C)c1[nH]c(CN2CCCCCC2)cc1C(=O)[O-] ZINC001591912499 976347834 /nfs/dbraw/zinc/34/78/34/976347834.db2.gz OBNLBRREOBZARL-UHFFFAOYSA-N -1 3 264.369 3.212 20 0 CGADHM CC(C)(C)c1nc(CN[C@@]2(C)CCCC[C@H]2C(=O)[O-])co1 ZINC001590542494 990172714 /nfs/dbraw/zinc/17/27/14/990172714.db2.gz XMDOMAPPIRQMBC-LRDDRELGSA-N -1 3 294.395 3.095 20 0 CGADHM CC(C)(C)c1nc(CN[C@@]2(C)CCCC[C@@H]2C(=O)[O-])co1 ZINC001590542496 990173073 /nfs/dbraw/zinc/17/30/73/990173073.db2.gz XMDOMAPPIRQMBC-WBMJQRKESA-N -1 3 294.395 3.095 20 0 CGADHM CC(C)N(Cc1ccc(C(=O)[O-])n1C)Cc1ccccc1 ZINC001591603847 992838160 /nfs/dbraw/zinc/83/81/60/992838160.db2.gz WBSQSNSGKLDZEH-UHFFFAOYSA-N -1 3 286.375 3.134 20 0 CGADHM C[C@H](NCc1ccc(Cl)cc1)c1cncc(C(=O)[O-])c1 ZINC001593299911 994727504 /nfs/dbraw/zinc/72/75/04/994727504.db2.gz YEWJFAVLDVHVQE-JTQLQIEISA-N -1 3 290.750 3.284 20 0 CGADHM C[C@H](N[C@@H](C)c1cncc(F)c1)c1cc(C(=O)[O-])cs1 ZINC001593353011 994971382 /nfs/dbraw/zinc/97/13/82/994971382.db2.gz KHGDHDXFQLTTQF-IUCAKERBSA-N -1 3 294.351 3.392 20 0 CGADHM C[C@@H](c1ccc(F)c(F)c1)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001593692977 996141934 /nfs/dbraw/zinc/14/19/34/996141934.db2.gz IEWOCHHHEFJDQB-JBLDHEPKSA-N -1 3 283.318 3.068 20 0 CGADHM COC[C@H]1CCCCN1Cc1c(Cl)cccc1C(=O)[O-] ZINC001599203651 997362538 /nfs/dbraw/zinc/36/25/38/997362538.db2.gz UFGXIIRPXIUOOF-LLVKDONJSA-N -1 3 297.782 3.039 20 0 CGADHM C[C@H](c1ncc(C(=O)[O-])s1)N(C)[C@H]1CCCC[C@H]1C ZINC001594366766 999386128 /nfs/dbraw/zinc/38/61/28/999386128.db2.gz RBMZVJOGRTUNQD-MXWKQRLJSA-N -1 3 282.409 3.413 20 0 CGADHM COc1cc2ccccc2cc1C(=O)Nc1ncccc1[O-] ZINC000620882727 349433323 /nfs/dbraw/zinc/43/33/23/349433323.db2.gz FIBOBPMHZVHARF-UHFFFAOYSA-N -1 3 294.310 3.201 20 0 CGADHM COCCCC(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000337416558 214067384 /nfs/dbraw/zinc/06/73/84/214067384.db2.gz NYXFUALIBXHZSR-UHFFFAOYSA-N -1 3 265.353 3.055 20 0 CGADHM CC(C)(C(=O)Nc1cc(Cl)ccc1[O-])C(F)F ZINC000350656055 219045039 /nfs/dbraw/zinc/04/50/39/219045039.db2.gz IHUZOBAUUHUIHK-UHFFFAOYSA-N -1 3 263.671 3.275 20 0 CGADHM C[C@@H]1CCN(C(=O)c2cccc([O-])c2)CC12CCC2 ZINC000273055388 192031616 /nfs/dbraw/zinc/03/16/16/192031616.db2.gz XKEOJYQELLFCRJ-GFCCVEGCSA-N -1 3 259.349 3.045 20 0 CGADHM Cc1ccc(NC(=O)C[C@H]2CCO[C@@H](C(C)C)C2)c([O-])c1 ZINC000273073127 192037512 /nfs/dbraw/zinc/03/75/12/192037512.db2.gz FZPAKNQAVUPMOQ-XJKSGUPXSA-N -1 3 291.391 3.480 20 0 CGADHM CCOCCC1(C(=O)Nc2ccc(C)cc2[O-])CCC1 ZINC000125127319 187171296 /nfs/dbraw/zinc/17/12/96/187171296.db2.gz KPEDXQLNFMUBCG-UHFFFAOYSA-N -1 3 277.364 3.236 20 0 CGADHM Cc1cccc([O-])c1NC(=O)[C@@H]1C[C@H]1C1CCCC1 ZINC000651638080 398260780 /nfs/dbraw/zinc/26/07/80/398260780.db2.gz LNFHFKKYSRXBCV-QWHCGFSZSA-N -1 3 259.349 3.465 20 0 CGADHM C[C@@H]1CCCN1C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621893764 349603398 /nfs/dbraw/zinc/60/33/98/349603398.db2.gz UMYCEFCOUWVANM-MRVPVSSYSA-N -1 3 273.254 3.036 20 0 CGADHM O=C(NCC[C@H]1CC1(F)F)c1ccc2c(c1[O-])CCCC2 ZINC000622197154 349646928 /nfs/dbraw/zinc/64/69/28/349646928.db2.gz YYGWSFNPAFVCOE-NSHDSACASA-N -1 3 295.329 3.046 20 0 CGADHM CC[C@@H](C)n1ncc(NC(=O)c2ccc([O-])c(C)c2)c1C ZINC000436590907 529443634 /nfs/dbraw/zinc/44/36/34/529443634.db2.gz OQYFODNWXLSKNA-LLVKDONJSA-N -1 3 287.363 3.429 20 0 CGADHM CCc1ccc(C(=O)NCCc2cccc(F)c2)c([O-])c1 ZINC000622284718 349667811 /nfs/dbraw/zinc/66/78/11/349667811.db2.gz NCMYWRSEDXRTGB-UHFFFAOYSA-N -1 3 287.334 3.066 20 0 CGADHM CCc1ccc([O-])c(C(=O)N[C@H](C)C2CCCC2)c1 ZINC000622372801 349675927 /nfs/dbraw/zinc/67/59/27/349675927.db2.gz YESGVUFSQALOIK-LLVKDONJSA-N -1 3 261.365 3.263 20 0 CGADHM CCC1(CNC(=O)c2ccc(C(C)C)cc2[O-])CC1 ZINC000622417056 349677593 /nfs/dbraw/zinc/67/75/93/349677593.db2.gz VHEOHJLJTRKOAV-UHFFFAOYSA-N -1 3 261.365 3.436 20 0 CGADHM CC(C)c1ncsc1C(=O)Nc1ccccc1[O-] ZINC000622322320 349672264 /nfs/dbraw/zinc/67/22/64/349672264.db2.gz KMDWLYYERUTXGP-UHFFFAOYSA-N -1 3 262.334 3.224 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2ccc(F)c(OC)c2)c1 ZINC000622541540 349684644 /nfs/dbraw/zinc/68/46/44/349684644.db2.gz WBDMNJRKGKKEAT-UHFFFAOYSA-N -1 3 289.306 3.355 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)COCC2CCCC2)c1[O-] ZINC000622467707 349681723 /nfs/dbraw/zinc/68/17/23/349681723.db2.gz DQBWQCGUHMSNNO-UHFFFAOYSA-N -1 3 297.782 3.499 20 0 CGADHM CC(C)c1ccc(C(=O)NC2(C(C)C)CC2)c([O-])c1 ZINC000622620318 349689975 /nfs/dbraw/zinc/68/99/75/349689975.db2.gz LXMWZYVTEGPPGD-UHFFFAOYSA-N -1 3 261.365 3.434 20 0 CGADHM CC[C@@H](Cc1ccccc1)N(C)C(=O)c1ccc(O)cc1[O-] ZINC000173568764 529541543 /nfs/dbraw/zinc/54/15/43/529541543.db2.gz FCCRQQQKZUGHRH-AWEZNQCLSA-N -1 3 299.370 3.191 20 0 CGADHM CCc1cc(=O)[n-]c(CSC[C@@H](C)C(F)(F)F)n1 ZINC000439030328 529566900 /nfs/dbraw/zinc/56/69/00/529566900.db2.gz SZYDQHKRVOGAIF-SSDOTTSWSA-N -1 3 280.315 3.176 20 0 CGADHM CCc1ccc(C(=O)N(Cc2cccnc2)C(C)C)c([O-])c1 ZINC000436816421 529594079 /nfs/dbraw/zinc/59/40/79/529594079.db2.gz DHMYKPDGBDWNRP-UHFFFAOYSA-N -1 3 298.386 3.400 20 0 CGADHM O=C(N=c1cc(-c2cccc(Cl)c2)[n-][nH]1)C1CCCC1 ZINC000622892141 349725479 /nfs/dbraw/zinc/72/54/79/349725479.db2.gz BDLWUPTYRROQBP-UHFFFAOYSA-N -1 3 289.766 3.281 20 0 CGADHM O=C(Nc1ncccc1[O-])c1cc(F)ccc1-c1ccoc1 ZINC000350869319 219067598 /nfs/dbraw/zinc/06/75/98/219067598.db2.gz WNIGSSOXCPFARQ-UHFFFAOYSA-N -1 3 298.273 3.439 20 0 CGADHM CCc1ccc(C(=O)Nc2ccc3nccnc3c2)c([O-])c1 ZINC000436818293 529610238 /nfs/dbraw/zinc/61/02/38/529610238.db2.gz KEGQNUOUQWLAPW-UHFFFAOYSA-N -1 3 293.326 3.150 20 0 CGADHM CCc1ccc(C(=O)N2CCCC[C@H]2CC)c([O-])c1 ZINC000436803306 529595283 /nfs/dbraw/zinc/59/52/83/529595283.db2.gz OAOCCJKREDKLEN-CYBMUJFWSA-N -1 3 261.365 3.359 20 0 CGADHM CCc1ccc(C(=O)N2CC[C@H](C)[C@@H]2CC)c([O-])c1 ZINC000436840717 529600072 /nfs/dbraw/zinc/60/00/72/529600072.db2.gz SXDWCOBRLXBFAO-FZMZJTMJSA-N -1 3 261.365 3.215 20 0 CGADHM CC1(NC(=O)c2cc([O-])cc(C(F)(F)F)c2)CC=CC1 ZINC000623031802 349753423 /nfs/dbraw/zinc/75/34/23/349753423.db2.gz VGGSHTSPCCBMBP-UHFFFAOYSA-N -1 3 285.265 3.250 20 0 CGADHM O=C(N[C@@H](C(F)F)C1CCCCC1)c1cccc([O-])c1 ZINC000623045684 349755182 /nfs/dbraw/zinc/75/51/82/349755182.db2.gz YYRQXYXXWQRAFY-CYBMUJFWSA-N -1 3 283.318 3.336 20 0 CGADHM CCc1ccc(CNC[C@@]2(CC(=O)[O-])CC[C@H](C)C2)o1 ZINC000426637930 529652514 /nfs/dbraw/zinc/65/25/14/529652514.db2.gz HLGZGUOSPBTOFC-LRDDRELGSA-N -1 3 279.380 3.213 20 0 CGADHM CCc1ccc(CN[C@@H](C(=O)[O-])c2ccccc2OC)cc1 ZINC000426770996 529654426 /nfs/dbraw/zinc/65/44/26/529654426.db2.gz YBXNKXUNXGSPNL-QGZVFWFLSA-N -1 3 299.370 3.173 20 0 CGADHM CCc1ccc([O-])c(C(=O)NCC(C)(C)c2cccnc2)c1 ZINC000412883453 529692140 /nfs/dbraw/zinc/69/21/40/529692140.db2.gz HGRVSEMAZPKKFG-UHFFFAOYSA-N -1 3 298.386 3.057 20 0 CGADHM CS[C@@H](C)CC(=O)Nc1ccc(Cl)cc1[O-] ZINC000270242806 190628672 /nfs/dbraw/zinc/62/86/72/190628672.db2.gz JTPPUWOHNKZAMD-ZETCQYMHSA-N -1 3 259.758 3.126 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CCc3ccc(C)cc32)c1 ZINC000623488626 349818207 /nfs/dbraw/zinc/81/82/07/349818207.db2.gz HHRULNOUGXCAHH-UHFFFAOYSA-N -1 3 281.355 3.466 20 0 CGADHM CC[C@@H](c1ccncc1)N(C)C(=O)c1ccc(C)cc1[O-] ZINC000128038433 187347853 /nfs/dbraw/zinc/34/78/53/187347853.db2.gz VGUMBMSLUJAAEJ-HNNXBMFYSA-N -1 3 284.359 3.319 20 0 CGADHM Cc1c2cc(Cl)ccc2oc1C(=O)[N-]c1nncs1 ZINC000021214574 344892599 /nfs/dbraw/zinc/89/25/99/344892599.db2.gz DLJSCLSEQZUUJH-UHFFFAOYSA-N -1 3 293.735 3.498 20 0 CGADHM CCC[C@@H](C)N(C)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000030270072 344922248 /nfs/dbraw/zinc/92/22/48/344922248.db2.gz REWZSXRRFPKVBS-LLVKDONJSA-N -1 3 299.374 3.290 20 0 CGADHM CC(C)(C)C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000033613527 344936060 /nfs/dbraw/zinc/93/60/60/344936060.db2.gz OQFGJLRXRBNFTD-UHFFFAOYSA-N -1 3 296.219 3.318 20 0 CGADHM COc1cccc(CN(C)Cc2ccc(C(=O)[O-])cc2)c1 ZINC000037918825 344953587 /nfs/dbraw/zinc/95/35/87/344953587.db2.gz ZKFUMNDDSWMTIZ-UHFFFAOYSA-N -1 3 285.343 3.025 20 0 CGADHM CCc1ccc([C@@H](C)NC(=O)c2ccc(OC)cc2[O-])cc1 ZINC000036623105 344943954 /nfs/dbraw/zinc/94/39/54/344943954.db2.gz IFNLDKGYSRDWTQ-GFCCVEGCSA-N -1 3 299.370 3.454 20 0 CGADHM Cc1ccc(C(=O)NCCc2ccsc2)c([O-])c1C ZINC000052583960 345105554 /nfs/dbraw/zinc/10/55/54/345105554.db2.gz CVOKXGNTVKPFFO-UHFFFAOYSA-N -1 3 275.373 3.043 20 0 CGADHM CC[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000057102595 345173559 /nfs/dbraw/zinc/17/35/59/345173559.db2.gz UCSBICPVQZYLIT-JGVFFNPUSA-N -1 3 281.830 3.114 20 0 CGADHM CC[C@H](C)[C@H](C)[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000057102722 345173600 /nfs/dbraw/zinc/17/36/00/345173600.db2.gz JUAZGCXZBMMGHM-IUCAKERBSA-N -1 3 293.791 3.192 20 0 CGADHM CCOc1ccccc1CN(C)C(=O)c1ccccc1[O-] ZINC000054586346 345136460 /nfs/dbraw/zinc/13/64/60/345136460.db2.gz BKUGFZWPTAGCBE-UHFFFAOYSA-N -1 3 285.343 3.063 20 0 CGADHM O=C([O-])c1ccccc1CN1CCc2ccsc2C1 ZINC000060193844 345211711 /nfs/dbraw/zinc/21/17/11/345211711.db2.gz FBPKLBVWPDPNRR-UHFFFAOYSA-N -1 3 273.357 3.005 20 0 CGADHM CC(C)c1cc(C(=O)[N-]c2cccc(F)c2F)on1 ZINC000070808441 345395774 /nfs/dbraw/zinc/39/57/74/345395774.db2.gz VMTCFPHDQWZESW-UHFFFAOYSA-N -1 3 266.247 3.329 20 0 CGADHM CC(C)c1ccc(C(=O)N2C[C@@H](C)[C@H](C)C2)c([O-])c1 ZINC000075412061 345507589 /nfs/dbraw/zinc/50/75/89/345507589.db2.gz NATMFSSUAAAOKH-VXGBXAGGSA-N -1 3 261.365 3.244 20 0 CGADHM CCOCc1ccc(NC(=O)c2cc(C)ccc2[O-])cc1 ZINC000075547409 345513095 /nfs/dbraw/zinc/51/30/95/345513095.db2.gz GECDRACKBKMQPC-UHFFFAOYSA-N -1 3 285.343 3.489 20 0 CGADHM COc1ccc2[nH]cc(CC(=O)Nc3ccccc3[O-])c2c1 ZINC000079032533 345628694 /nfs/dbraw/zinc/62/86/94/345628694.db2.gz OPGJSWUBCAHTHQ-UHFFFAOYSA-N -1 3 296.326 3.063 20 0 CGADHM Cc1ccc(F)c(OCC(=O)[N-]c2cc(C(C)C)no2)c1 ZINC000078056536 345590279 /nfs/dbraw/zinc/59/02/79/345590279.db2.gz ZLLRUGKFHRNPGJ-UHFFFAOYSA-N -1 3 292.310 3.263 20 0 CGADHM O=C(CCCC1CCCC1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000079380019 345639312 /nfs/dbraw/zinc/63/93/12/345639312.db2.gz GIRWEZPVAWQOSK-UHFFFAOYSA-N -1 3 299.378 3.166 20 0 CGADHM O=C(CCCC1CCCC1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000079380019 345639316 /nfs/dbraw/zinc/63/93/16/345639316.db2.gz GIRWEZPVAWQOSK-UHFFFAOYSA-N -1 3 299.378 3.166 20 0 CGADHM C[C@@H](CCC[C@H](C)C(=O)[O-])NCc1cccc(F)c1F ZINC000087677903 345756973 /nfs/dbraw/zinc/75/69/73/345756973.db2.gz YNFHVMICTLIJEZ-QWRGUYRKSA-N -1 3 285.334 3.334 20 0 CGADHM CC(C)c1noc([N-]Cc2nc(-c3ccccc3)c[nH]2)n1 ZINC000091462871 345815007 /nfs/dbraw/zinc/81/50/07/345815007.db2.gz MANRFYIUFPUWIO-UHFFFAOYSA-N -1 3 283.335 3.195 20 0 CGADHM CCc1cccc(C(=O)N2CCCC[C@H]2c2ncc[nH]2)c1[O-] ZINC000094071757 345894825 /nfs/dbraw/zinc/89/48/25/345894825.db2.gz WPMDZKZQWFONQC-AWEZNQCLSA-N -1 3 299.374 3.045 20 0 CGADHM Cc1ccc(C(=O)Nc2ccc(-c3ncon3)cc2)c([O-])c1 ZINC000171012528 232267277 /nfs/dbraw/zinc/26/72/77/232267277.db2.gz FLTFZTRCCTUWTN-UHFFFAOYSA-N -1 3 295.298 3.003 20 0 CGADHM CCc1ccc([O-])c(C(=O)N[C@H](C)c2c(C)noc2C)c1 ZINC000113989733 345963322 /nfs/dbraw/zinc/96/33/22/345963322.db2.gz HXNIRQVOAFEWMA-SECBINFHSA-N -1 3 288.347 3.050 20 0 CGADHM COc1cc(C)cc(C(=O)N2CCc3c2cccc3C)c1[O-] ZINC000106912441 345933357 /nfs/dbraw/zinc/93/33/57/345933357.db2.gz DZTWAQYGKPVBIR-UHFFFAOYSA-N -1 3 297.354 3.221 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)C2CCCC2)c1[O-] ZINC000116979594 345980985 /nfs/dbraw/zinc/98/09/85/345980985.db2.gz IAVPKIKJIDOPRF-UHFFFAOYSA-N -1 3 253.729 3.483 20 0 CGADHM Cc1ccc(C(=O)N2CCc3c2cccc3C)c([O-])c1 ZINC000125833419 346020328 /nfs/dbraw/zinc/02/03/28/346020328.db2.gz MRTLAWQIEJPYJS-UHFFFAOYSA-N -1 3 267.328 3.212 20 0 CGADHM C[C@H]1CCN(Cc2c(F)cccc2Cl)[C@H](C(=O)[O-])C1 ZINC000129409426 346049135 /nfs/dbraw/zinc/04/91/35/346049135.db2.gz UQMWFEBHXDKVIK-ZANVPECISA-N -1 3 285.746 3.164 20 0 CGADHM CCS[C@@H](C(=O)Nc1ccc(OC)cc1[O-])C(C)C ZINC000135407761 346087956 /nfs/dbraw/zinc/08/79/56/346087956.db2.gz OCSMXUHDRNAZAT-CYBMUJFWSA-N -1 3 283.393 3.117 20 0 CGADHM CC(C)C[C@@H](C(=O)[O-])N(C)Cc1ccccc1Cl ZINC000197359797 346277203 /nfs/dbraw/zinc/27/72/03/346277203.db2.gz SKPZDBYUGWAJAA-ZDUSSCGKSA-N -1 3 269.772 3.271 20 0 CGADHM CSc1ccc(CNCc2cccc(C(=O)[O-])c2)cc1 ZINC000213492495 346288168 /nfs/dbraw/zinc/28/81/68/346288168.db2.gz ATXBPBVPVCLLBP-UHFFFAOYSA-N -1 3 287.384 3.397 20 0 CGADHM C[C@H]1CCN(Cc2ccc(Cl)cc2)[C@@H](C(=O)[O-])C1 ZINC000229304824 346317282 /nfs/dbraw/zinc/31/72/82/346317282.db2.gz DTPHYZOEUQBSFQ-GXFFZTMASA-N -1 3 267.756 3.025 20 0 CGADHM Cc1ccc(CN(C)CCOc2ccccc2C(=O)[O-])cc1 ZINC000237193867 346345173 /nfs/dbraw/zinc/34/51/73/346345173.db2.gz BCTLSBIVMKLZDL-UHFFFAOYSA-N -1 3 299.370 3.204 20 0 CGADHM Cc1ccc(CN2CCC[C@H]2CC(=O)[O-])c(Cl)c1 ZINC000235879311 346337661 /nfs/dbraw/zinc/33/76/61/346337661.db2.gz DDXIMGYMNOWTJF-LBPRGKRZSA-N -1 3 267.756 3.088 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCC[C@]3(CC=CCC3)C2)n1 ZINC000248705184 346377773 /nfs/dbraw/zinc/37/77/73/346377773.db2.gz ADXCVBUIVHHJRN-RHSMWYFYSA-N -1 3 287.407 3.374 20 0 CGADHM O=C(Nc1ccc([O-])cc1Cl)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403695950 346597642 /nfs/dbraw/zinc/59/76/42/346597642.db2.gz SLBOJDDCZMOQND-OPRDCNLKSA-N -1 3 265.740 3.420 20 0 CGADHM CCc1cc(=O)[n-]c(CN[C@@H](C)c2ccc(C3CC3)cc2)n1 ZINC000579936357 346672987 /nfs/dbraw/zinc/67/29/87/346672987.db2.gz FYEHOHWTZOTPKZ-LBPRGKRZSA-N -1 3 297.402 3.473 20 0 CGADHM CC[C@@H]1CN([C@@H](C(=O)[O-])c2cccc(Cl)c2)CCS1 ZINC000584725614 346710227 /nfs/dbraw/zinc/71/02/27/346710227.db2.gz RYUKGWKCXJFNFK-CHWSQXEVSA-N -1 3 299.823 3.293 20 0 CGADHM CCC(CC)C(=O)Nc1cc(Cl)cc(C(=O)OC)c1[O-] ZINC000588096421 346749802 /nfs/dbraw/zinc/74/98/02/346749802.db2.gz CNZZDOWLCSJQEF-UHFFFAOYSA-N -1 3 299.754 3.207 20 0 CGADHM CCC[C@H](C)Nc1ccc(-c2nc(CC)cc(=O)[n-]2)cn1 ZINC000597903270 347602798 /nfs/dbraw/zinc/60/27/98/347602798.db2.gz YWJBFWFTXPMFDQ-NSHDSACASA-N -1 3 286.379 3.407 20 0 CGADHM CC[C@H](NCc1cccc([O-])c1Cl)[C@H]1CCCO1 ZINC000339326429 215097991 /nfs/dbraw/zinc/09/79/91/215097991.db2.gz XVDOPGLKHWFCCK-WCQYABFASA-N -1 3 269.772 3.093 20 0 CGADHM C[C@H](O)[C@H](C)SCc1cc([O-])cc(C(F)(F)F)c1 ZINC000603317582 348070748 /nfs/dbraw/zinc/07/07/48/348070748.db2.gz CPQMZCIQFWKVMS-YUMQZZPRSA-N -1 3 280.311 3.414 20 0 CGADHM CCC[C@H](C)C(=O)N=c1cc(-c2ccccc2C)[n-][nH]1 ZINC000603547358 348089450 /nfs/dbraw/zinc/08/94/50/348089450.db2.gz NFRHRXPIASXJGH-LBPRGKRZSA-N -1 3 271.364 3.182 20 0 CGADHM O=C(NCc1ccc([O-])c(F)c1)c1sccc1C1CC1 ZINC000606537314 348189791 /nfs/dbraw/zinc/18/97/91/348189791.db2.gz YYMTYOCVLPUECH-UHFFFAOYSA-N -1 3 291.347 3.400 20 0 CGADHM O=C(CCCn1cnc2ccccc21)Nc1ccccc1[O-] ZINC000612120154 348496060 /nfs/dbraw/zinc/49/60/60/348496060.db2.gz RWWZBMIFFQVDQM-UHFFFAOYSA-N -1 3 295.342 3.161 20 0 CGADHM Cc1ccc([O-])c(NC(=O)C[C@]23CCCC[C@H]2C3(F)F)n1 ZINC000614165371 348653727 /nfs/dbraw/zinc/65/37/27/348653727.db2.gz XMHHOIVVSFKIQA-BXUZGUMPSA-N -1 3 296.317 3.250 20 0 CGADHM Cc1ccc(C(=O)NCc2ccc([C@H]3C[C@H]3C)o2)c([O-])c1 ZINC000614752609 348692527 /nfs/dbraw/zinc/69/25/27/348692527.db2.gz DBRQYRZJQQXWNO-RISCZKNCSA-N -1 3 285.343 3.347 20 0 CGADHM CC(C)[C@@]1(C)C[C@@H]1C(=O)NCc1ccc([O-])c2ncccc12 ZINC000616023383 348782433 /nfs/dbraw/zinc/78/24/33/348782433.db2.gz RGCCFWLOBLCPOL-RDTXWAMCSA-N -1 3 298.386 3.239 20 0 CGADHM CC(C)(CNC(=O)c1ccc2[nH][n-]c(=O)c2c1)C1=CCCC1 ZINC000616182090 348794396 /nfs/dbraw/zinc/79/43/96/348794396.db2.gz DYEXAORMAXBNSC-UHFFFAOYSA-N -1 3 299.374 3.135 20 0 CGADHM O=C(c1cc([O-])ccc1Cl)N1C[C@@H]2CCCC[C@@H]21 ZINC000616724754 348873461 /nfs/dbraw/zinc/87/34/61/348873461.db2.gz WPZSXFDCUJQDKG-ZANVPECISA-N -1 3 265.740 3.060 20 0 CGADHM Cc1cc(C)n([C@H](C)C(=O)Nc2ccc([O-])cc2Cl)n1 ZINC000616941669 348884814 /nfs/dbraw/zinc/88/48/14/348884814.db2.gz AWXGYCHGGFCHGF-SNVBAGLBSA-N -1 3 293.754 3.059 20 0 CGADHM COC1(C(=O)Nc2ccc([O-])cc2Cl)CCCCC1 ZINC000616941092 348885091 /nfs/dbraw/zinc/88/50/91/348885091.db2.gz RATKECUKJAKLET-UHFFFAOYSA-N -1 3 283.755 3.333 20 0 CGADHM CCOc1nc2cc(C(=O)N(CC)[C@H](C)CC)ccc2[n-]1 ZINC000616977844 348889056 /nfs/dbraw/zinc/88/90/56/348889056.db2.gz ODOZABCQSGDCIH-LLVKDONJSA-N -1 3 289.379 3.222 20 0 CGADHM CCOc1nc2ccc(C(=O)N(CC)[C@H](C)CC)cc2[n-]1 ZINC000616977844 348889057 /nfs/dbraw/zinc/88/90/57/348889057.db2.gz ODOZABCQSGDCIH-LLVKDONJSA-N -1 3 289.379 3.222 20 0 CGADHM CCC(C)(C)[C@@H](C)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000617572159 348974895 /nfs/dbraw/zinc/97/48/95/348974895.db2.gz BIIFAVDVDOUAJR-LLVKDONJSA-N -1 3 286.375 3.083 20 0 CGADHM O=c1cc(CSCc2ccccc2Cl)occ1[O-] ZINC000358539771 233150242 /nfs/dbraw/zinc/15/02/42/233150242.db2.gz JPEDSMAZJTWBHR-UHFFFAOYSA-N -1 3 282.748 3.432 20 0 CGADHM Cc1ccc2c(c1)CN(C(=O)c1ccc([O-])c(C)c1)CC2 ZINC000617604907 348981875 /nfs/dbraw/zinc/98/18/75/348981875.db2.gz XTNXIXJZZUYVOZ-UHFFFAOYSA-N -1 3 281.355 3.208 20 0 CGADHM CSc1ccc([O-])c(C(=O)NCCCOC(C)(C)C)c1 ZINC000618332985 349069595 /nfs/dbraw/zinc/06/95/95/349069595.db2.gz NENMYNYFYYMKMF-UHFFFAOYSA-N -1 3 297.420 3.049 20 0 CGADHM CCn1ncc(C)c1NC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000618439823 349083907 /nfs/dbraw/zinc/08/39/07/349083907.db2.gz NRPAANXHMVJEQC-UHFFFAOYSA-N -1 3 299.374 3.048 20 0 CGADHM O=c1nc(-c2cscn2)[n-]c2sc3c(c21)CCC3 ZINC000618466624 349086484 /nfs/dbraw/zinc/08/64/84/349086484.db2.gz XBRBOKHJSUOFRD-UHFFFAOYSA-N -1 3 275.358 3.009 20 0 CGADHM CCc1ccc(C(=O)NCC[C@@]2(C)CC2(F)F)c([O-])c1 ZINC000618635125 349131925 /nfs/dbraw/zinc/13/19/25/349131925.db2.gz ITMRHMYYLVAVOV-AWEZNQCLSA-N -1 3 283.318 3.120 20 0 CGADHM CCC1(CC)CCCN(C(=O)c2ccc(O)cc2[O-])C1 ZINC000618670358 349138915 /nfs/dbraw/zinc/13/89/15/349138915.db2.gz YNTXJGIJALBQDL-UHFFFAOYSA-N -1 3 277.364 3.140 20 0 CGADHM CC(C)CCc1ccccc1NC(=O)c1cc(=O)[n-]cn1 ZINC000624883538 350113746 /nfs/dbraw/zinc/11/37/46/350113746.db2.gz OEGPCFXBAIRQAP-UHFFFAOYSA-N -1 3 285.347 3.023 20 0 CGADHM CCN(Cc1cc([O-])ccc1Cl)C[C@@H]1CCCO1 ZINC000625122058 350131018 /nfs/dbraw/zinc/13/10/18/350131018.db2.gz IXEGFSAOPLHGCV-ZDUSSCGKSA-N -1 3 269.772 3.047 20 0 CGADHM CC[C@@H]1CN(Cc2cc([O-])ccc2Cl)C[C@@H](C)O1 ZINC000625161750 350135323 /nfs/dbraw/zinc/13/53/23/350135323.db2.gz WGCWNLIFCIEDCW-ZWNOBZJWSA-N -1 3 269.772 3.045 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CCC[C@H]1C(C)(C)C ZINC000625264169 350150091 /nfs/dbraw/zinc/15/00/91/350150091.db2.gz BXTAVEPXFZYWDB-ZDUSSCGKSA-N -1 3 261.365 3.351 20 0 CGADHM C[C@H]1CCN(Cc2cc([O-])ccc2Cl)C[C@H]1F ZINC000625313466 350157046 /nfs/dbraw/zinc/15/70/46/350157046.db2.gz JZEFOWJZZDUKOY-TVQRCGJNSA-N -1 3 257.736 3.226 20 0 CGADHM COC[C@@H](NCc1cc([O-])ccc1Cl)c1ccc(C)o1 ZINC000625319249 350158054 /nfs/dbraw/zinc/15/80/54/350158054.db2.gz PTLMNQYCGFTNNY-CQSZACIVSA-N -1 3 295.766 3.424 20 0 CGADHM Cc1ccccc1[C@@H](CO)NCc1cc([O-])ccc1Cl ZINC000625321994 350158727 /nfs/dbraw/zinc/15/87/27/350158727.db2.gz RQOUTZXWLQNPKQ-MRXNPFEDSA-N -1 3 291.778 3.177 20 0 CGADHM C[C@@H]1CN(Cc2cc([O-])ccc2Cl)[C@H](C)[C@H](C)O1 ZINC000625360659 350163263 /nfs/dbraw/zinc/16/32/63/350163263.db2.gz GFYZKJOWIWNMBX-MXWKQRLJSA-N -1 3 269.772 3.043 20 0 CGADHM [O-]c1ccc(Cl)c(CN2C[C@H](CO)c3ccccc32)c1 ZINC000625448161 350173358 /nfs/dbraw/zinc/17/33/58/350173358.db2.gz PQEAUBFIOGWBLO-GFCCVEGCSA-N -1 3 289.762 3.142 20 0 CGADHM CC1(C)C[C@@H](O)CCN(Cc2cc([O-])ccc2Cl)C1 ZINC000625462338 350175618 /nfs/dbraw/zinc/17/56/18/350175618.db2.gz XJAOPUGWYWGWFY-ZDUSSCGKSA-N -1 3 283.799 3.029 20 0 CGADHM C[C@@H]1CN(Cc2cc([O-])ccc2Cl)CC2(CCC2)O1 ZINC000625508959 350179572 /nfs/dbraw/zinc/17/95/72/350179572.db2.gz KDWWDAZYQRAQRR-LLVKDONJSA-N -1 3 281.783 3.189 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2cc(C3CC3)ccn2)c1 ZINC000359667678 233354206 /nfs/dbraw/zinc/35/42/06/233354206.db2.gz PDGSVHKETJEBTC-UHFFFAOYSA-N -1 3 268.316 3.225 20 0 CGADHM Cc1cccc([O-])c1C(=O)N[C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000626309871 350294016 /nfs/dbraw/zinc/29/40/16/350294016.db2.gz ONXYRKOORJZLLH-JSGCOSHPSA-N -1 3 291.391 3.024 20 0 CGADHM Cc1cccc([O-])c1C(=O)N[C@@H](C1CC1)C1CCC1 ZINC000627705252 350376525 /nfs/dbraw/zinc/37/65/25/350376525.db2.gz IKSMFDSXVUGTDB-OAHLLOKOSA-N -1 3 259.349 3.009 20 0 CGADHM C/C=C\C[C@@H]1CCCN(Cc2cc(C)c(C(=O)[O-])o2)C1 ZINC000629375825 350683341 /nfs/dbraw/zinc/68/33/41/350683341.db2.gz NFFFZRXWSROMGI-DHCBQETCSA-N -1 3 277.364 3.464 20 0 CGADHM CCc1cc(C(=O)NC[C@H]2CCCC23CC3)ccc1[O-] ZINC000629827807 350768960 /nfs/dbraw/zinc/76/89/60/350768960.db2.gz NIQDUHHJLVMLRG-CQSZACIVSA-N -1 3 273.376 3.265 20 0 CGADHM C/C=C\C[C@H]1CCCN(C(=O)Cc2ccc([O-])c(F)c2)C1 ZINC000629869897 350778195 /nfs/dbraw/zinc/77/81/95/350778195.db2.gz KGKFTNZDPVWGSF-ZRMMWKCHSA-N -1 3 291.366 3.279 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)[C@H]2CC23CCC3)c1-c1ccc(C)cc1 ZINC000630021484 350798621 /nfs/dbraw/zinc/79/86/21/350798621.db2.gz SSQKJKOWQGGESW-CQSZACIVSA-N -1 3 295.386 3.244 20 0 CGADHM O=c1nc(-c2coc(C3CC3)n2)[n-]c2sc3c(c21)CCC3 ZINC000630384976 350830245 /nfs/dbraw/zinc/83/02/45/350830245.db2.gz KVFHMPGPAVATKR-UHFFFAOYSA-N -1 3 299.355 3.418 20 0 CGADHM C[C@@H]1CC[C@H](c2nc(=O)c3c4c(sc3[n-]2)CCC4)O1 ZINC000630386648 350830956 /nfs/dbraw/zinc/83/09/56/350830956.db2.gz YHHOEWZYAVROLT-VXNVDRBHSA-N -1 3 276.361 3.126 20 0 CGADHM CC(C)c1cnc(S(=O)(=O)[C@@H](C)c2ccccc2F)[n-]1 ZINC000630432277 350839262 /nfs/dbraw/zinc/83/92/62/350839262.db2.gz LCLHZIXKSMYYMG-JTQLQIEISA-N -1 3 296.367 3.207 20 0 CGADHM CC(C)c1c[n-]c(S(=O)(=O)[C@@H](C)c2ccccc2F)n1 ZINC000630432277 350839263 /nfs/dbraw/zinc/83/92/63/350839263.db2.gz LCLHZIXKSMYYMG-JTQLQIEISA-N -1 3 296.367 3.207 20 0 CGADHM Cc1scc(CN[C@@H](C(=O)[O-])c2cccc(F)c2)c1C ZINC000630452642 350842305 /nfs/dbraw/zinc/84/23/05/350842305.db2.gz AYFQAYGHQOAADZ-CQSZACIVSA-N -1 3 293.363 3.420 20 0 CGADHM [O-]c1cccc(CN[C@@H]2C[C@H]2C(F)(F)F)c1Cl ZINC000631260726 351009979 /nfs/dbraw/zinc/00/99/79/351009979.db2.gz BNLQAKZVDCLBQM-HTQZYQBOSA-N -1 3 265.662 3.086 20 0 CGADHM C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)c1c([O-])cccc1O ZINC000271423752 191128824 /nfs/dbraw/zinc/12/88/24/191128824.db2.gz ZUVHGSSUHIIEOM-GXTWGEPZSA-N -1 3 297.354 3.116 20 0 CGADHM CC(C)(C)c1nc[nH]c1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000632139681 351172241 /nfs/dbraw/zinc/17/22/41/351172241.db2.gz VPYFTSSRHYLCIC-UHFFFAOYSA-N -1 3 293.754 3.319 20 0 CGADHM O=C(CCCCO)Nc1cc(Cc2ccccc2)ccc1[O-] ZINC000632148660 351172902 /nfs/dbraw/zinc/17/29/02/351172902.db2.gz ZXBWGZJMNPSKOE-UHFFFAOYSA-N -1 3 299.370 3.084 20 0 CGADHM Cc1cc([N-]C(=O)[C@H](C)Nc2ccc3[nH]c(C)cc3c2)on1 ZINC000113308093 186571280 /nfs/dbraw/zinc/57/12/80/186571280.db2.gz NJEZGILMEWGIQQ-NSHDSACASA-N -1 3 298.346 3.212 20 0 CGADHM CC(=O)c1cccc(NC(=O)[C@H]2CCCC(F)(F)C2)c1[O-] ZINC000336512445 213390567 /nfs/dbraw/zinc/39/05/67/213390567.db2.gz YUFUFRPXTDMFNM-JTQLQIEISA-N -1 3 297.301 3.359 20 0 CGADHM O=C([N-]c1nc(C2CCCCC2)cs1)c1cnco1 ZINC000633741825 351358038 /nfs/dbraw/zinc/35/80/38/351358038.db2.gz JBSHNSJGAQYTEW-UHFFFAOYSA-N -1 3 277.349 3.431 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)Cc2cccnc2C)c1[O-] ZINC000336512108 213387923 /nfs/dbraw/zinc/38/79/23/213387923.db2.gz GZMSNARLPQIBTJ-UHFFFAOYSA-N -1 3 290.750 3.239 20 0 CGADHM O=C(c1cccc2[n-]nnc21)N1CCC[C@@H](C2CCC2)CC1 ZINC000634523224 351505070 /nfs/dbraw/zinc/50/50/70/351505070.db2.gz ZTLFCYYRJIPPAN-CYBMUJFWSA-N -1 3 298.390 3.000 20 0 CGADHM O=C(c1cccc2nn[n-]c21)N1CCC[C@@H](C2CCC2)CC1 ZINC000634523224 351505075 /nfs/dbraw/zinc/50/50/75/351505075.db2.gz ZTLFCYYRJIPPAN-CYBMUJFWSA-N -1 3 298.390 3.000 20 0 CGADHM O=C(c1cccc2n[n-]nc21)N1CCC[C@@H](C2CCC2)CC1 ZINC000634523224 351505078 /nfs/dbraw/zinc/50/50/78/351505078.db2.gz ZTLFCYYRJIPPAN-CYBMUJFWSA-N -1 3 298.390 3.000 20 0 CGADHM C[C@@H]1CCc2[n-]n(Cc3cccc(Cl)c3)c(=O)c21 ZINC000634605023 351538403 /nfs/dbraw/zinc/53/84/03/351538403.db2.gz YUOKOJJZLUKDSP-RNCFNFMXSA-N -1 3 262.740 3.084 20 0 CGADHM [O-]c1cc(F)cc(CN2CCOCc3ccccc32)c1 ZINC000291433552 198019829 /nfs/dbraw/zinc/01/98/29/198019829.db2.gz BKPMIBLPEGGNJA-UHFFFAOYSA-N -1 3 273.307 3.068 20 0 CGADHM CC(C)c1c(-c2ccccc2)[n-]n([C@@H](C)C(F)(F)F)c1=O ZINC000634631174 351553363 /nfs/dbraw/zinc/55/33/63/351553363.db2.gz MNBZRZHUKBINCC-JQWIXIFHSA-N -1 3 298.308 3.456 20 0 CGADHM CCOc1ccc(NC(=O)[N-]OC[C@H](C)CC)cc1OC ZINC000291676963 198060609 /nfs/dbraw/zinc/06/06/09/198060609.db2.gz BWCGVAFQSLOLEO-LLVKDONJSA-N -1 3 296.367 3.193 20 0 CGADHM CCc1noc(C)c1CO[N-]C(=O)CCC1CCCCC1 ZINC000123063687 187069356 /nfs/dbraw/zinc/06/93/56/187069356.db2.gz KUZBCXRYURECKB-UHFFFAOYSA-N -1 3 294.395 3.454 20 0 CGADHM O=C([N-]OCCC(F)(F)F)Nc1ccc(Cl)cc1 ZINC000122455598 187033431 /nfs/dbraw/zinc/03/34/31/187033431.db2.gz OBDAWGFKDNKKJA-UHFFFAOYSA-N -1 3 282.649 3.346 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)Nc1ccc(OC(F)F)cc1 ZINC000291906332 198101156 /nfs/dbraw/zinc/10/11/56/198101156.db2.gz QCCUPQASELCGKI-VIFPVBQESA-N -1 3 288.294 3.387 20 0 CGADHM CC[C@H](C)CON=C([O-])Nc1nc2c(s1)CCCC2 ZINC000291980767 198123900 /nfs/dbraw/zinc/12/39/00/198123900.db2.gz YWCVORQCUZCJBZ-VIFPVBQESA-N -1 3 283.397 3.121 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)Nc1nc2c(s1)CCCC2 ZINC000291980767 198123902 /nfs/dbraw/zinc/12/39/02/198123902.db2.gz YWCVORQCUZCJBZ-VIFPVBQESA-N -1 3 283.397 3.121 20 0 CGADHM Cc1nc([N-]C(=O)c2occc2Br)cs1 ZINC000336469319 213338968 /nfs/dbraw/zinc/33/89/68/213338968.db2.gz LYTMXLJPXKMAEO-UHFFFAOYSA-N -1 3 287.138 3.059 20 0 CGADHM CC(=O)c1cc(NC(=O)c2ccc([O-])c(C)c2)ccc1F ZINC000336469677 213338482 /nfs/dbraw/zinc/33/84/82/213338482.db2.gz CHOOWTZRMQOSGK-UHFFFAOYSA-N -1 3 287.290 3.295 20 0 CGADHM O=C(c1cccc([O-])c1)N1CCC[C@H](Oc2ccccc2)C1 ZINC000365011287 234076097 /nfs/dbraw/zinc/07/60/97/234076097.db2.gz LENQBGNCDPMVRN-KRWDZBQOSA-N -1 3 297.354 3.076 20 0 CGADHM CC(C)c1noc([N-][C@H](C)[C@@H]2OCCc3sccc32)n1 ZINC000292166555 198189188 /nfs/dbraw/zinc/18/91/88/198189188.db2.gz DJMHXHMFYDGKIS-SKDRFNHKSA-N -1 3 293.392 3.369 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)[C@@H]1C[C@H]1c1sccc1C ZINC000292231451 198210596 /nfs/dbraw/zinc/21/05/96/198210596.db2.gz PPDAANCJZBOLIE-MVWJERBFSA-N -1 3 267.394 3.254 20 0 CGADHM CC(C)[C@H](CC(=O)[N-]OCc1cccnc1)c1ccccc1 ZINC000152519904 188024863 /nfs/dbraw/zinc/02/48/63/188024863.db2.gz GGALAUPHUBEIQA-KRWDZBQOSA-N -1 3 298.386 3.459 20 0 CGADHM COc1cc(Cl)c(C)cc1NC([O-])=NOCC1CC1 ZINC000292365867 198260214 /nfs/dbraw/zinc/26/02/14/198260214.db2.gz RPMGYCGUHBCQAY-UHFFFAOYSA-N -1 3 284.743 3.120 20 0 CGADHM COc1cc(Cl)c(C)cc1NC(=O)[N-]OCC1CC1 ZINC000292365867 198260215 /nfs/dbraw/zinc/26/02/15/198260215.db2.gz RPMGYCGUHBCQAY-UHFFFAOYSA-N -1 3 284.743 3.120 20 0 CGADHM Cc1c([O-])ccc2c(CN3CCC4(CC4)CC3)cc(=O)oc12 ZINC000368425172 234307561 /nfs/dbraw/zinc/30/75/61/234307561.db2.gz PQMBCPOHLWRGAV-UHFFFAOYSA-N -1 3 299.370 3.183 20 0 CGADHM O=C(NCc1ccc([O-])c(F)c1)c1cc2c(s1)CCC2 ZINC000156202433 188248474 /nfs/dbraw/zinc/24/84/74/188248474.db2.gz YYHAULYXLXOVOR-UHFFFAOYSA-N -1 3 291.347 3.012 20 0 CGADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1ccc(Cl)c(F)c1 ZINC000155755764 188226367 /nfs/dbraw/zinc/22/63/67/188226367.db2.gz PXAXAXCDNVLKMR-LLVKDONJSA-N -1 3 288.706 3.059 20 0 CGADHM O=C([N-]O[C@@H]1CCCCO1)Nc1ccc(Cl)c(F)c1 ZINC000155755764 188226368 /nfs/dbraw/zinc/22/63/68/188226368.db2.gz PXAXAXCDNVLKMR-LLVKDONJSA-N -1 3 288.706 3.059 20 0 CGADHM CSc1cccc(NC(=O)[N-]OCC(C)C)c1 ZINC000158092625 188356320 /nfs/dbraw/zinc/35/63/20/188356320.db2.gz GHMPSLZFUFVRMX-UHFFFAOYSA-N -1 3 254.355 3.118 20 0 CGADHM Cc1ccc([O-])c(CNCc2cc(C3CC3)ccc2F)n1 ZINC000295179922 199390277 /nfs/dbraw/zinc/39/02/77/199390277.db2.gz VPNMOHXJYQOKPU-UHFFFAOYSA-N -1 3 286.350 3.402 20 0 CGADHM Cc1ccc(C(F)(F)F)cc1NC(=O)[N-]OCC1CC1 ZINC000292723106 198389370 /nfs/dbraw/zinc/38/93/70/198389370.db2.gz MFDFCOACOHGQLF-UHFFFAOYSA-N -1 3 288.269 3.477 20 0 CGADHM Cc1ccc(CCC(=O)[N-]OCCC(F)(F)F)c(C)c1 ZINC000162914143 188594192 /nfs/dbraw/zinc/59/41/92/188594192.db2.gz RUEWPOROFNYIQS-UHFFFAOYSA-N -1 3 289.297 3.236 20 0 CGADHM C[C@H](c1ccco1)N(C)Cc1c(F)ccc([O-])c1F ZINC000295262135 199429755 /nfs/dbraw/zinc/42/97/55/199429755.db2.gz GYDVSQXIVCGAJF-SECBINFHSA-N -1 3 267.275 3.456 20 0 CGADHM O=C(/C=C/c1nc2ccccc2s1)[N-]OC1CCCC1 ZINC000271747340 191303368 /nfs/dbraw/zinc/30/33/68/191303368.db2.gz JUXKOORJNUBHMT-MDZDMXLPSA-N -1 3 288.372 3.300 20 0 CGADHM CCOCc1cccc(NC([O-])=NOC2CCCC2)c1 ZINC000271799729 191334208 /nfs/dbraw/zinc/33/42/08/191334208.db2.gz LZZZGYHWYLNXMF-UHFFFAOYSA-N -1 3 278.352 3.219 20 0 CGADHM CCOCc1cccc(NC(=O)[N-]OC2CCCC2)c1 ZINC000271799729 191334210 /nfs/dbraw/zinc/33/42/10/191334210.db2.gz LZZZGYHWYLNXMF-UHFFFAOYSA-N -1 3 278.352 3.219 20 0 CGADHM Cc1ncsc1C=Cc1cc(=O)[n-]c(C(C)(C)C)n1 ZINC000414077591 235330951 /nfs/dbraw/zinc/33/09/51/235330951.db2.gz QBUNTDYUQNDLRP-WAYWQWQTSA-N -1 3 275.377 3.415 20 0 CGADHM O=[S@](Cc1ccc2c(c1)CCC2)c1cccc([O-])c1 ZINC000273520773 192185384 /nfs/dbraw/zinc/18/53/84/192185384.db2.gz SPAOLXZTSDGBDQ-LJQANCHMSA-N -1 3 272.369 3.189 20 0 CGADHM CCc1[n-][nH]c(=NC(=O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)c1C ZINC000328772294 202048623 /nfs/dbraw/zinc/04/86/23/202048623.db2.gz BBKARXXGONOLSZ-HZSPNIEDSA-N -1 3 289.423 3.247 20 0 CGADHM COc1cc(F)c([N-]C(=O)c2ccc(Cl)o2)cc1F ZINC000124696161 138376633 /nfs/dbraw/zinc/37/66/33/138376633.db2.gz FRNQEEQMJVDKBD-UHFFFAOYSA-N -1 3 287.649 3.472 20 0 CGADHM C[C@@H]1CCCC[C@@H]1C(=O)Nc1cc(F)ccc1[O-] ZINC000424748886 236186784 /nfs/dbraw/zinc/18/67/84/236186784.db2.gz IWHVOANSGHDHMI-KOLCDFICSA-N -1 3 251.301 3.296 20 0 CGADHM CC[C@@H]1CN(Cc2cccc([O-])c2Cl)CCCO1 ZINC000294511655 199067653 /nfs/dbraw/zinc/06/76/53/199067653.db2.gz CAYQJROEUCHWHM-GFCCVEGCSA-N -1 3 269.772 3.047 20 0 CGADHM C[C@H](c1ccccc1)N(Cc1n[nH]c(=O)[n-]1)C1CCCC1 ZINC000425440009 236247957 /nfs/dbraw/zinc/24/79/57/236247957.db2.gz BLPGNZXYAZUAFT-GFCCVEGCSA-N -1 3 286.379 3.016 20 0 CGADHM Cc1ccc([C@H](NCc2ccccc2C)C(=O)[O-])cc1 ZINC000426703359 236307036 /nfs/dbraw/zinc/30/70/36/236307036.db2.gz KYBMCHOVVRXWKN-INIZCTEOSA-N -1 3 269.344 3.219 20 0 CGADHM COc1ccc([O-])c(C(=O)N2CC(C)(C)[C@@H]3CCC[C@H]32)c1 ZINC000294718022 199149283 /nfs/dbraw/zinc/14/92/83/199149283.db2.gz KZULKEGUIVFQEI-ZIAGYGMSSA-N -1 3 289.375 3.052 20 0 CGADHM Cc1ccc(C(=O)NCCCOc2ccccc2)c([O-])c1C ZINC000436621718 237144028 /nfs/dbraw/zinc/14/40/28/237144028.db2.gz AWAIGCVOTIJPHZ-UHFFFAOYSA-N -1 3 299.370 3.208 20 0 CGADHM Cc1ccc(C(=O)N[C@@H](C)CCc2ccc(O)cc2)c([O-])c1 ZINC000436608666 237145956 /nfs/dbraw/zinc/14/59/56/237145956.db2.gz VFUYEYMVEDHYJC-ZDUSSCGKSA-N -1 3 299.370 3.157 20 0 CGADHM Cc1cc(C)cc([C@@H](C)NC(=O)c2c([O-])cccc2O)c1 ZINC000436647829 237152020 /nfs/dbraw/zinc/15/20/20/237152020.db2.gz LSRDQINMJDDOII-GFCCVEGCSA-N -1 3 285.343 3.206 20 0 CGADHM Cc1cccc([C@H](C)NC(=O)c2c([O-])cccc2O)c1C ZINC000436650925 237152148 /nfs/dbraw/zinc/15/21/48/237152148.db2.gz YOEGGRAWHYKWEX-LBPRGKRZSA-N -1 3 285.343 3.206 20 0 CGADHM CSc1ccc(NC(=O)c2ccc(C)c(C)c2[O-])nc1 ZINC000436551516 237126932 /nfs/dbraw/zinc/12/69/32/237126932.db2.gz NYWVXHZUYOAMPA-UHFFFAOYSA-N -1 3 288.372 3.378 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2cccnc2OC(C)C)c1 ZINC000436564204 237131896 /nfs/dbraw/zinc/13/18/96/237131896.db2.gz QUCJHFJQBLMBSX-UHFFFAOYSA-N -1 3 286.331 3.135 20 0 CGADHM CN(C(=O)c1ccc2c(c1[O-])CCCC2)[C@@H]1CC1(C)C ZINC000436822211 237185930 /nfs/dbraw/zinc/18/59/30/237185930.db2.gz NWPKBLFGROEXGY-CQSZACIVSA-N -1 3 273.376 3.142 20 0 CGADHM O=C(NCc1csc2ccccc12)c1ccc(O)cc1[O-] ZINC000436835645 237188177 /nfs/dbraw/zinc/18/81/77/237188177.db2.gz BESUORNMAZGWDC-UHFFFAOYSA-N -1 3 299.351 3.243 20 0 CGADHM Cc1ccc([O-])c(C(=O)N[C@@H](C)Cc2ccccc2F)c1 ZINC000436670285 237158238 /nfs/dbraw/zinc/15/82/38/237158238.db2.gz DNWCGKIDIVNDFV-LBPRGKRZSA-N -1 3 287.334 3.201 20 0 CGADHM O=C(NCC1(c2ccccc2)CCC1)c1ccccc1[O-] ZINC000436677570 237159219 /nfs/dbraw/zinc/15/92/19/237159219.db2.gz DNUVWCZGCDHPEN-UHFFFAOYSA-N -1 3 281.355 3.244 20 0 CGADHM Cc1ccccc1[C@H]1C[C@H](NC(=O)c2ccc(O)cc2[O-])C1 ZINC000436779400 237180115 /nfs/dbraw/zinc/18/01/15/237180115.db2.gz KQTPBTUPXCMPLU-JOCQHMNTSA-N -1 3 297.354 3.082 20 0 CGADHM Cc1cc(C(=O)Nc2c3c(nn2C(C)C)CCC3)ccc1[O-] ZINC000436914089 237208050 /nfs/dbraw/zinc/20/80/50/237208050.db2.gz KJXDCDVCLODTEO-UHFFFAOYSA-N -1 3 299.374 3.219 20 0 CGADHM CCOc1ccc(NC([O-])=NOC(C)C)c2ncccc12 ZINC000296983095 200053295 /nfs/dbraw/zinc/05/32/95/200053295.db2.gz TUIXYPPJFHPKCA-UHFFFAOYSA-N -1 3 289.335 3.095 20 0 CGADHM CCOc1ccc(NC(=O)[N-]OC(C)C)c2ncccc12 ZINC000296983095 200053297 /nfs/dbraw/zinc/05/32/97/200053297.db2.gz TUIXYPPJFHPKCA-UHFFFAOYSA-N -1 3 289.335 3.095 20 0 CGADHM O=C(N[C@H]1C[C@H](c2ccccc2)C1)c1ccccc1[O-] ZINC000437428016 237284356 /nfs/dbraw/zinc/28/43/56/237284356.db2.gz NGVQUCLMIPCZIE-HDJSIYSDSA-N -1 3 267.328 3.068 20 0 CGADHM [O-]C(=NO[C@H]1CCCCO1)Nc1ccc2c(c1)CCCC2 ZINC000297538851 200222736 /nfs/dbraw/zinc/22/27/36/200222736.db2.gz XIHKBKOVUIOWNP-HNNXBMFYSA-N -1 3 290.363 3.145 20 0 CGADHM O=C([N-]O[C@H]1CCCCO1)Nc1ccc2c(c1)CCCC2 ZINC000297538851 200222738 /nfs/dbraw/zinc/22/27/38/200222738.db2.gz XIHKBKOVUIOWNP-HNNXBMFYSA-N -1 3 290.363 3.145 20 0 CGADHM CC[C@H](C)Oc1cccc(NC(=O)[N-]c2cnns2)c1 ZINC000297613449 200241182 /nfs/dbraw/zinc/24/11/82/200241182.db2.gz APMKRURXMBRTMR-VIFPVBQESA-N -1 3 292.364 3.359 20 0 CGADHM CC[C@]1(C)Oc2ccc(NC([O-])=NOC(C)C)cc2O1 ZINC000297976904 200311294 /nfs/dbraw/zinc/31/12/94/200311294.db2.gz ZGDCDFXLKFACRO-CQSZACIVSA-N -1 3 280.324 3.046 20 0 CGADHM CC[C@]1(C)Oc2ccc(NC(=O)[N-]OC(C)C)cc2O1 ZINC000297976904 200311295 /nfs/dbraw/zinc/31/12/95/200311295.db2.gz ZGDCDFXLKFACRO-CQSZACIVSA-N -1 3 280.324 3.046 20 0 CGADHM Cc1cscc1[N-]S(=O)(=O)CCc1ccccc1 ZINC000439058830 238225383 /nfs/dbraw/zinc/22/53/83/238225383.db2.gz SVSFMFGQYOUMOD-UHFFFAOYSA-N -1 3 281.402 3.041 20 0 CGADHM O=C(CCc1cncc(F)c1)Nc1ccc(Cl)cc1[O-] ZINC000342162243 216244559 /nfs/dbraw/zinc/24/45/59/216244559.db2.gz OFEIITGXKNAIEE-UHFFFAOYSA-N -1 3 294.713 3.151 20 0 CGADHM Cc1nc(CCCC(=O)Nc2c(C)cccc2[O-])cs1 ZINC000179553364 189201452 /nfs/dbraw/zinc/20/14/52/189201452.db2.gz JWCWHHXTDWZSPV-UHFFFAOYSA-N -1 3 290.388 3.427 20 0 CGADHM O=C(N[C@@H](C1CCCC1)C(F)(F)F)c1cccc([O-])c1 ZINC000182577602 189328157 /nfs/dbraw/zinc/32/81/57/189328157.db2.gz JGAIVVBTWCTMGA-LBPRGKRZSA-N -1 3 287.281 3.243 20 0 CGADHM CCc1cc(C(=O)N[C@@H](C)c2cccc(O)c2)ccc1[O-] ZINC000342358595 216325073 /nfs/dbraw/zinc/32/50/73/216325073.db2.gz KAOFDRZCUMMRHO-NSHDSACASA-N -1 3 285.343 3.151 20 0 CGADHM CC(C)(C)C[C@@H](NC(=O)c1cccc([O-])c1)C(F)(F)F ZINC000183002633 189342558 /nfs/dbraw/zinc/34/25/58/189342558.db2.gz UCSIROALGUSEIK-LLVKDONJSA-N -1 3 289.297 3.489 20 0 CGADHM CCc1cccc(CC)c1NC([O-])=NOCc1cccnc1 ZINC000182884253 189338477 /nfs/dbraw/zinc/33/84/77/189338477.db2.gz KGIPVMVYWYKIHL-UHFFFAOYSA-N -1 3 299.374 3.460 20 0 CGADHM CCc1cccc(CC)c1NC(=O)[N-]OCc1cccnc1 ZINC000182884253 189338478 /nfs/dbraw/zinc/33/84/78/189338478.db2.gz KGIPVMVYWYKIHL-UHFFFAOYSA-N -1 3 299.374 3.460 20 0 CGADHM CSc1ccc(C)c(NC(=O)[N-]c2cnns2)c1 ZINC000336341683 213189686 /nfs/dbraw/zinc/18/96/86/213189686.db2.gz UBZVCDPQHKQSHQ-UHFFFAOYSA-N -1 3 280.378 3.212 20 0 CGADHM CC(C)[C@@H]1N(Cc2cc([O-])cc(F)c2)CC12CCOCC2 ZINC000335641192 212357277 /nfs/dbraw/zinc/35/72/77/212357277.db2.gz VZNDPIKQILSJTI-INIZCTEOSA-N -1 3 293.382 3.168 20 0 CGADHM C[C@H]1c2ccsc2CCN1C(=O)c1ccccc1[O-] ZINC000049933476 291325859 /nfs/dbraw/zinc/32/58/59/291325859.db2.gz CQIDLWVEQZJVSK-JTQLQIEISA-N -1 3 273.357 3.213 20 0 CGADHM CCC[C@@H](NCc1nc(CC)cc(=O)[n-]1)C(C)(C)C ZINC000451436260 240302108 /nfs/dbraw/zinc/30/21/08/240302108.db2.gz KBVSJNQQMUANKR-GFCCVEGCSA-N -1 3 265.401 3.049 20 0 CGADHM CCC[C@@H](CC(C)C)C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000451327045 240276587 /nfs/dbraw/zinc/27/65/87/240276587.db2.gz FNYQNPJJYZFUQU-GXTWGEPZSA-N -1 3 293.411 3.084 20 0 CGADHM [O-]C(=NOCCC(F)(F)F)Nc1ccsc1Cl ZINC000275691217 193106420 /nfs/dbraw/zinc/10/64/20/193106420.db2.gz RJAPDVCDEWEPBD-UHFFFAOYSA-N -1 3 288.678 3.407 20 0 CGADHM O=C([N-]OCCC(F)(F)F)Nc1ccsc1Cl ZINC000275691217 193106423 /nfs/dbraw/zinc/10/64/23/193106423.db2.gz RJAPDVCDEWEPBD-UHFFFAOYSA-N -1 3 288.678 3.407 20 0 CGADHM O=C(CCOc1ccccc1)Nc1cc(Cl)ccc1[O-] ZINC000120960268 370817587 /nfs/dbraw/zinc/81/75/87/370817587.db2.gz DUKFTJJDBWEFOJ-UHFFFAOYSA-N -1 3 291.734 3.453 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])C1(C2CCC2)CCC1 ZINC000456005627 241344132 /nfs/dbraw/zinc/34/41/32/241344132.db2.gz QMYDYBKDXIFPMR-UHFFFAOYSA-N -1 3 263.312 3.440 20 0 CGADHM O=c1cc(CN2CCC[C@H]3CCCC[C@H]32)nc(C2CC2)[n-]1 ZINC000459288668 242054780 /nfs/dbraw/zinc/05/47/80/242054780.db2.gz JJIMSRCKBUESKE-IUODEOHRSA-N -1 3 287.407 3.214 20 0 CGADHM CC(C)N(Cc1ccccc1)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459298792 242060994 /nfs/dbraw/zinc/06/09/94/242060994.db2.gz BEEYZPKBDSPTRZ-UHFFFAOYSA-N -1 3 297.402 3.470 20 0 CGADHM CN(Cc1cc(=O)[n-]c(C2CC2)n1)[C@H]1CCc2ccccc21 ZINC000459312135 242065355 /nfs/dbraw/zinc/06/53/55/242065355.db2.gz NZCZMLDUTMKUPS-INIZCTEOSA-N -1 3 295.386 3.179 20 0 CGADHM CC(C)C[C@@H]1C[C@H]1NCc1c(F)ccc([O-])c1F ZINC000459658829 242167177 /nfs/dbraw/zinc/16/71/77/242167177.db2.gz QKEAHOOHRIYNBF-BXKDBHETSA-N -1 3 255.308 3.195 20 0 CGADHM [O-]c1cccc(CN[C@H]2CCC[C@@H]3C[C@@H]32)c1Br ZINC000459773061 242225339 /nfs/dbraw/zinc/22/53/39/242225339.db2.gz SIGZUYTYNRBKKT-USWWRNFRSA-N -1 3 296.208 3.433 20 0 CGADHM CCc1cc(C(=O)N[C@H]2C[C@@H]2c2ccccc2)ccc1[O-] ZINC000485928123 243348309 /nfs/dbraw/zinc/34/83/09/243348309.db2.gz DCFZXZUHASKLQU-CVEARBPZSA-N -1 3 281.355 3.241 20 0 CGADHM Cc1ccc(C=Cc2cc(=O)[n-]c(-c3ccncc3)n2)cc1 ZINC000486107185 243353651 /nfs/dbraw/zinc/35/36/51/243353651.db2.gz WYFMGSKZRSRJFD-SREVYHEPSA-N -1 3 289.338 3.311 20 0 CGADHM Cc1cccc(C=Cc2cc(=O)[n-]c(-c3ccncc3)n2)c1 ZINC000486101975 243353705 /nfs/dbraw/zinc/35/37/05/243353705.db2.gz LDWHFPNYJUMWCE-WAYWQWQTSA-N -1 3 289.338 3.311 20 0 CGADHM COc1ccccc1CSc1n[n-]c(-c2ccccn2)n1 ZINC000343482204 216790456 /nfs/dbraw/zinc/79/04/56/216790456.db2.gz VJVLNGOTTFBCJU-UHFFFAOYSA-N -1 3 298.371 3.168 20 0 CGADHM CC[C@H](CNC(=O)c1ccc([O-])c(OC)c1)c1ccccc1 ZINC000276016113 193189159 /nfs/dbraw/zinc/18/91/59/193189159.db2.gz JURYUUNTPHTOIN-CYBMUJFWSA-N -1 3 299.370 3.324 20 0 CGADHM CCN(C(=O)c1ccc(C)cc1[O-])c1ccccc1 ZINC000019839405 368771607 /nfs/dbraw/zinc/77/16/07/368771607.db2.gz MTSBYZQAWHAOMQ-UHFFFAOYSA-N -1 3 255.317 3.367 20 0 CGADHM Cc1ccc(C(=O)NCCSc2ccccc2)c([O-])c1 ZINC000023956567 368826725 /nfs/dbraw/zinc/82/67/25/368826725.db2.gz ZVDMJSIMYWPUDH-UHFFFAOYSA-N -1 3 287.384 3.223 20 0 CGADHM Cc1ccc(F)c(NC(=O)c2cc(-c3ccco3)[n-]n2)c1 ZINC000028492869 368886527 /nfs/dbraw/zinc/88/65/27/368886527.db2.gz ANGMAUHLWOBFOK-UHFFFAOYSA-N -1 3 285.278 3.370 20 0 CGADHM Cc1ccc(F)c(NC(=O)c2cc(-c3ccco3)n[n-]2)c1 ZINC000028492869 368886529 /nfs/dbraw/zinc/88/65/29/368886529.db2.gz ANGMAUHLWOBFOK-UHFFFAOYSA-N -1 3 285.278 3.370 20 0 CGADHM C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)[N-]OC/C=C/Cl)o1 ZINC000493289496 244134231 /nfs/dbraw/zinc/13/42/31/244134231.db2.gz JZJSKTNBOSSIOE-KJSCCQQLSA-N -1 3 281.739 3.217 20 0 CGADHM O=C(/C=C/c1cccc(O)c1)Nc1c([O-])cccc1Cl ZINC000493117183 244100623 /nfs/dbraw/zinc/10/06/23/244100623.db2.gz CKJXGFLDDWKQHC-BQYQJAHWSA-N -1 3 289.718 3.403 20 0 CGADHM COc1ccc(C(=O)N[C@H](C)c2ccc(C)cc2)c([O-])c1 ZINC000042353643 369215669 /nfs/dbraw/zinc/21/56/69/369215669.db2.gz DWSXBWPFULOMQH-GFCCVEGCSA-N -1 3 285.343 3.200 20 0 CGADHM O=C(/C=C\c1ccc(Cl)s1)[N-]OC/C=C\Cl ZINC000493469915 244169305 /nfs/dbraw/zinc/16/93/05/244169305.db2.gz UZXZRTKONCUMDZ-MOAQZJEESA-N -1 3 278.160 3.215 20 0 CGADHM COc1ccc([O-])c(C(=O)N2CCC[C@H]2C2CCCC2)c1 ZINC000044352689 369259308 /nfs/dbraw/zinc/25/93/08/369259308.db2.gz RTUNLCKQRXUAJI-HNNXBMFYSA-N -1 3 289.375 3.196 20 0 CGADHM C[C@H](SCc1ccccc1)C(=O)Nc1ncccc1[O-] ZINC000044948965 369272424 /nfs/dbraw/zinc/27/24/24/369272424.db2.gz ZLMKKEYZNHXMIX-NSHDSACASA-N -1 3 288.372 3.048 20 0 CGADHM C[C@H]1C[C@@H]1CNC(=O)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000495010018 244344390 /nfs/dbraw/zinc/34/43/90/244344390.db2.gz VUCPSHCEULRXLC-JGVFFNPUSA-N -1 3 295.795 3.177 20 0 CGADHM COc1cc(C(=O)N(Cc2ccco2)C(C)C)ccc1[O-] ZINC000276167047 193231408 /nfs/dbraw/zinc/23/14/08/193231408.db2.gz QRCHBTCZAQGQNB-UHFFFAOYSA-N -1 3 289.331 3.045 20 0 CGADHM C[C@@]1(C(=O)[O-])CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000062876821 369631463 /nfs/dbraw/zinc/63/14/63/369631463.db2.gz NNJCHBQVIHZYFK-CQSZACIVSA-N -1 3 285.746 3.166 20 0 CGADHM Cc1nn(C(C)(C)C)c(C)c1C[N-]c1nnc(C(F)F)o1 ZINC000276431693 193328896 /nfs/dbraw/zinc/32/88/96/193328896.db2.gz YTKDMIPPOBERAG-UHFFFAOYSA-N -1 3 299.325 3.188 20 0 CGADHM CC(C)Cc1nnc([N-]C(=O)c2cccnc2Cl)s1 ZINC000069161274 369753957 /nfs/dbraw/zinc/75/39/57/369753957.db2.gz QWNMHUQSFQUQML-UHFFFAOYSA-N -1 3 296.783 3.037 20 0 CGADHM Cc1nc(CCO[N-]C(=O)CCC2CCCCC2)cs1 ZINC000276664257 193420050 /nfs/dbraw/zinc/42/00/50/193420050.db2.gz COVWWZAXTFJNEC-UHFFFAOYSA-N -1 3 296.436 3.402 20 0 CGADHM COc1cccc(-c2nc(CCC(C)C)no2)c1[O-] ZINC000104414437 370345471 /nfs/dbraw/zinc/34/54/71/370345471.db2.gz GUJMAVJOECAYIN-UHFFFAOYSA-N -1 3 262.309 3.039 20 0 CGADHM C[C@@H]1CC[C@@H](NC(=O)c2c[n-]c3ccccc3c2=O)[C@H](C)C1 ZINC000113436349 370474609 /nfs/dbraw/zinc/47/46/09/370474609.db2.gz HLYGYBVPNMBOFC-LALPHHSUSA-N -1 3 298.386 3.083 20 0 CGADHM CC(C)(CNCc1cc(Cl)ccc1F)CC(=O)[O-] ZINC000277296035 193612911 /nfs/dbraw/zinc/61/29/11/193612911.db2.gz MRMNWRQEAZYLQL-UHFFFAOYSA-N -1 3 273.735 3.070 20 0 CGADHM C[C@H](CC(=O)Nc1ncccc1[O-])c1cccc(F)c1 ZINC000116440961 370561105 /nfs/dbraw/zinc/56/11/05/370561105.db2.gz JNRPIXDCCZJROT-SNVBAGLBSA-N -1 3 274.295 3.059 20 0 CGADHM COc1ccc(C(=O)N2CCCC[C@H]2C(C)C)c([O-])c1 ZINC000117200195 370582433 /nfs/dbraw/zinc/58/24/33/370582433.db2.gz RXLRUKSSNKZWLF-AWEZNQCLSA-N -1 3 277.364 3.052 20 0 CGADHM CCCCOCC(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000118496599 370618219 /nfs/dbraw/zinc/61/82/19/370618219.db2.gz JLQIKGURTGNGPO-UHFFFAOYSA-N -1 3 271.744 3.109 20 0 CGADHM Cc1ccc([O-])c(CN2C[C@H](c3ccccc3)OC[C@@H]2C)n1 ZINC000130625914 371046713 /nfs/dbraw/zinc/04/67/13/371046713.db2.gz ZSYJJYCEGPIQEK-KBXCAEBGSA-N -1 3 298.386 3.058 20 0 CGADHM CC(C)C[C@H]1CCCN1C(=O)c1c[n-]c2ccccc2c1=O ZINC000133218111 371235889 /nfs/dbraw/zinc/23/58/89/371235889.db2.gz XKXSOHMBZXLZOP-CYBMUJFWSA-N -1 3 298.386 3.179 20 0 CGADHM COc1ccccc1NC(=O)Cc1ccc([O-])cc1Cl ZINC000136119106 371461714 /nfs/dbraw/zinc/46/17/14/371461714.db2.gz SNICDZDSFXMTJW-UHFFFAOYSA-N -1 3 291.734 3.235 20 0 CGADHM CC[C@](C)(NC(=O)c1ccccc1[O-])c1nc(C)cs1 ZINC000151211326 371582168 /nfs/dbraw/zinc/58/21/68/371582168.db2.gz WICNZFHEOVYHDN-HNNXBMFYSA-N -1 3 290.388 3.212 20 0 CGADHM CCc1cnc(S(=O)(=O)[C@H](C)c2cccc(Cl)c2)[n-]1 ZINC000152017487 371667019 /nfs/dbraw/zinc/66/70/19/371667019.db2.gz HTLLGIMVJHOOLD-SECBINFHSA-N -1 3 298.795 3.160 20 0 CGADHM CCc1c[n-]c(S(=O)(=O)[C@H](C)c2cccc(Cl)c2)n1 ZINC000152017487 371667028 /nfs/dbraw/zinc/66/70/28/371667028.db2.gz HTLLGIMVJHOOLD-SECBINFHSA-N -1 3 298.795 3.160 20 0 CGADHM Cc1cc(C)cc(NC([O-])=NOC/C=C/Cl)c1 ZINC000289604462 371771418 /nfs/dbraw/zinc/77/14/18/371771418.db2.gz VDVVVDNYMXRAQZ-ONEGZZNKSA-N -1 3 254.717 3.109 20 0 CGADHM Cc1cc(C)cc(NC(=O)[N-]OC/C=C/Cl)c1 ZINC000289604462 371771420 /nfs/dbraw/zinc/77/14/20/371771420.db2.gz VDVVVDNYMXRAQZ-ONEGZZNKSA-N -1 3 254.717 3.109 20 0 CGADHM Cc1ccc(C(=O)Nc2ccc(Cl)cc2[O-])cn1 ZINC000153533314 371774000 /nfs/dbraw/zinc/77/40/00/371774000.db2.gz MEHNAEPDGJTOKB-UHFFFAOYSA-N -1 3 262.696 3.001 20 0 CGADHM COCc1ccc(C(=O)Nc2ccc(Cl)cc2[O-])cc1 ZINC000153581860 371777575 /nfs/dbraw/zinc/77/75/75/371777575.db2.gz CFPXLFXCCJAJST-UHFFFAOYSA-N -1 3 291.734 3.444 20 0 CGADHM O=C(Nc1ccc(Cl)cc1[O-])c1ccc2c(c1)CCO2 ZINC000153677589 371778933 /nfs/dbraw/zinc/77/89/33/371778933.db2.gz XHANQKUHTJBOBN-UHFFFAOYSA-N -1 3 289.718 3.233 20 0 CGADHM Cc1cc(C)nc(NC(=O)Cc2ccc([O-])cc2Cl)c1 ZINC000153867528 371796941 /nfs/dbraw/zinc/79/69/41/371796941.db2.gz QXAWBRJEXXPRIP-UHFFFAOYSA-N -1 3 290.750 3.239 20 0 CGADHM C[C@@H]1CCC[C@H](CC(=O)Nc2nnc(-c3ccccn3)[n-]2)C1 ZINC000153945173 371803049 /nfs/dbraw/zinc/80/30/49/371803049.db2.gz NUIHFGQSNIEWRD-NEPJUHHUSA-N -1 3 299.378 3.022 20 0 CGADHM C[C@@H]1CCC[C@H](CC(=O)Nc2nc(-c3ccccn3)n[n-]2)C1 ZINC000153945173 371803057 /nfs/dbraw/zinc/80/30/57/371803057.db2.gz NUIHFGQSNIEWRD-NEPJUHHUSA-N -1 3 299.378 3.022 20 0 CGADHM C[C@@H]1CCC[C@H](CC(=O)Nc2n[n-]c(-c3ccccn3)n2)C1 ZINC000153945173 371803062 /nfs/dbraw/zinc/80/30/62/371803062.db2.gz NUIHFGQSNIEWRD-NEPJUHHUSA-N -1 3 299.378 3.022 20 0 CGADHM CCc1onc(C)c1[N-]C(=O)c1csc(C(C)C)n1 ZINC000153962524 371806795 /nfs/dbraw/zinc/80/67/95/371806795.db2.gz JYOLMYUJLOOTNU-UHFFFAOYSA-N -1 3 279.365 3.378 20 0 CGADHM [O-]c1cc(F)cc(CN2CCC[C@H]2c2ccncc2)c1 ZINC000289888202 371846301 /nfs/dbraw/zinc/84/63/01/371846301.db2.gz SPZTYNDORUMMMR-INIZCTEOSA-N -1 3 272.323 3.263 20 0 CGADHM CCc1ccc(-c2nc(CCC(F)(F)F)no2)c([O-])c1 ZINC000290027006 371882524 /nfs/dbraw/zinc/88/25/24/371882524.db2.gz HIXSSCBXVUWFKU-UHFFFAOYSA-N -1 3 286.253 3.500 20 0 CGADHM Cc1ccsc1CN[C@@H](CC(=O)[O-])c1cccs1 ZINC000037087940 541860868 /nfs/dbraw/zinc/86/08/68/541860868.db2.gz SQKREMDKPZZTKV-JTQLQIEISA-N -1 3 281.402 3.424 20 0 CGADHM O=C([O-])C[C@@H](NCc1ccccc1)c1cccs1 ZINC000037088045 541861513 /nfs/dbraw/zinc/86/15/13/541861513.db2.gz QJLBORXQCPMPKC-GFCCVEGCSA-N -1 3 261.346 3.054 20 0 CGADHM COc1ccc([O-])c(C(=O)N2CCC[C@@H]2CCC(C)C)c1 ZINC000155618302 371936834 /nfs/dbraw/zinc/93/68/34/371936834.db2.gz WHLOPVAIRUTJIG-CYBMUJFWSA-N -1 3 291.391 3.442 20 0 CGADHM CC(C)CC[C@@H](C)NC(=O)NCc1ccc([O-])c(F)c1 ZINC000155052044 371901510 /nfs/dbraw/zinc/90/15/10/371901510.db2.gz ADGHMUQMSMERNY-LLVKDONJSA-N -1 3 282.359 3.155 20 0 CGADHM COc1cccc(C(=O)Nc2cc(Cl)ccc2[O-])c1F ZINC000155227072 371917072 /nfs/dbraw/zinc/91/70/72/371917072.db2.gz QBLUOMJNOIESQM-UHFFFAOYSA-N -1 3 295.697 3.446 20 0 CGADHM C[C@@H]1CCN(C(=O)c2cc([O-])ccc2Cl)CCS1 ZINC000290501155 372001946 /nfs/dbraw/zinc/00/19/46/372001946.db2.gz SMXGPXFHAVWVBG-SECBINFHSA-N -1 3 285.796 3.013 20 0 CGADHM CC[C@@H](c1ccncc1)N(C)Cc1nc(C)ccc1[O-] ZINC000290295133 371956308 /nfs/dbraw/zinc/95/63/08/371956308.db2.gz ASWODCYMCWHFAZ-HNNXBMFYSA-N -1 3 271.364 3.074 20 0 CGADHM CC(C)CO[N-]C(=O)Cc1c[nH]c2cccc(Cl)c12 ZINC000292972626 372264746 /nfs/dbraw/zinc/26/47/46/372264746.db2.gz IMEYHWCVFVZVFH-UHFFFAOYSA-N -1 3 280.755 3.068 20 0 CGADHM CO[C@H]1CCCC[C@@H]1c1nc(-c2ccc([O-])cc2)no1 ZINC000293148425 372311659 /nfs/dbraw/zinc/31/16/59/372311659.db2.gz KNLQQWRMKNOTDQ-STQMWFEESA-N -1 3 274.320 3.115 20 0 CGADHM [O-]c1ccc(-c2noc(C3(O)CCCC3)n2)c2ccccc12 ZINC000293402747 372374352 /nfs/dbraw/zinc/37/43/52/372374352.db2.gz KQXWTFUPACVYRY-UHFFFAOYSA-N -1 3 296.326 3.357 20 0 CGADHM O=C(CCCc1cccs1)[N-]OCCC(F)(F)F ZINC000162618155 372405007 /nfs/dbraw/zinc/40/50/07/372405007.db2.gz CZHGJYRVPQRWKK-UHFFFAOYSA-N -1 3 281.299 3.071 20 0 CGADHM CO[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000293552954 372410114 /nfs/dbraw/zinc/41/01/14/372410114.db2.gz UMHDFZCUOCVJCH-ZWNOBZJWSA-N -1 3 283.755 3.189 20 0 CGADHM [O-]c1cccc(CN[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c1Cl ZINC000293353923 372363113 /nfs/dbraw/zinc/36/31/13/372363113.db2.gz UBEFYXQZCCDWMC-NILFDRSVSA-N -1 3 293.794 3.093 20 0 CGADHM C[C@@H]1C[C@H](C)CCN(C(=O)c2c[n-]c3ccccc3c2=O)C1 ZINC000163426945 372468743 /nfs/dbraw/zinc/46/87/43/372468743.db2.gz FIYGVAHMRJAHLP-CHWSQXEVSA-N -1 3 298.386 3.036 20 0 CGADHM O=c1[n-]c(-c2cscn2)nc2cc(C(F)(F)F)ccc12 ZINC000432515575 372569356 /nfs/dbraw/zinc/56/93/56/372569356.db2.gz SSLYAQPJTPZYPH-UHFFFAOYSA-N -1 3 297.261 3.478 20 0 CGADHM Cc1ccc(NC(=O)CCCC(=O)C(C)(C)C)c([O-])c1 ZINC000294225943 372619476 /nfs/dbraw/zinc/61/94/76/372619476.db2.gz DEAHWXPHIFZFLK-UHFFFAOYSA-N -1 3 277.364 3.425 20 0 CGADHM Cc1ccc([O-])c(C(=O)NC2CCC3(CC3)CC2)c1 ZINC000433999971 372646846 /nfs/dbraw/zinc/64/68/46/372646846.db2.gz VGGFTNZRUXHZJR-UHFFFAOYSA-N -1 3 259.349 3.153 20 0 CGADHM Cc1cc(C(=O)N2[C@H](C)C[C@@H]3CCCC[C@H]32)ccc1[O-] ZINC000436899479 372842990 /nfs/dbraw/zinc/84/29/90/372842990.db2.gz DGMDDZDEASXVGB-VNHYZAJKSA-N -1 3 273.376 3.494 20 0 CGADHM C[C@@H]1CCC[C@@H](N(C)C(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000172626685 372995396 /nfs/dbraw/zinc/99/53/96/372995396.db2.gz XBUNDPAWINAGMC-DGCLKSJQSA-N -1 3 294.370 3.251 20 0 CGADHM O=S(=O)(CCC1CC1)[N-]c1cc(Cl)cc(F)c1F ZINC000442224156 373048324 /nfs/dbraw/zinc/04/83/24/373048324.db2.gz SNYOAXGZVOMRIH-UHFFFAOYSA-N -1 3 295.738 3.160 20 0 CGADHM CC(C)ON=C([O-])Nc1cccc(SC(F)F)c1 ZINC000296316111 373087677 /nfs/dbraw/zinc/08/76/77/373087677.db2.gz ATKVEGHQDHNDFK-UHFFFAOYSA-N -1 3 276.308 3.463 20 0 CGADHM CC(C)O[N-]C(=O)Nc1cccc(SC(F)F)c1 ZINC000296316111 373087684 /nfs/dbraw/zinc/08/76/84/373087684.db2.gz ATKVEGHQDHNDFK-UHFFFAOYSA-N -1 3 276.308 3.463 20 0 CGADHM CC(C)CC(=O)Nc1ccc(NC([O-])=NOC(C)C)cc1 ZINC000296393647 373117325 /nfs/dbraw/zinc/11/73/25/373117325.db2.gz QDKNIGSMBSLBQD-UHFFFAOYSA-N -1 3 293.367 3.133 20 0 CGADHM CC(C)CC(=O)Nc1ccc(NC(=O)[N-]OC(C)C)cc1 ZINC000296393647 373117338 /nfs/dbraw/zinc/11/73/38/373117338.db2.gz QDKNIGSMBSLBQD-UHFFFAOYSA-N -1 3 293.367 3.133 20 0 CGADHM [O-]c1cccc(/C=C/c2nc(C3CC(F)(F)C3)no2)c1 ZINC000296335725 373093355 /nfs/dbraw/zinc/09/33/55/373093355.db2.gz GPJUVPPMDUOPJR-SNAWJCMRSA-N -1 3 278.258 3.458 20 0 CGADHM C[C@@H](CCCc1ccccc1)C(=O)Nc1ncccc1[O-] ZINC000344816839 217321398 /nfs/dbraw/zinc/32/13/98/217321398.db2.gz XKTNRPCDHPGRHZ-ZDUSSCGKSA-N -1 3 284.359 3.385 20 0 CGADHM CCCCOc1ccc(OC)cc1NC([O-])=NOC(C)C ZINC000296492791 373153216 /nfs/dbraw/zinc/15/32/16/373153216.db2.gz XTNIAHIKTLRDOY-UHFFFAOYSA-N -1 3 296.367 3.336 20 0 CGADHM CCCCOc1ccc(OC)cc1NC(=O)[N-]OC(C)C ZINC000296492791 373153221 /nfs/dbraw/zinc/15/32/21/373153221.db2.gz XTNIAHIKTLRDOY-UHFFFAOYSA-N -1 3 296.367 3.336 20 0 CGADHM O=C(CC1CCC1)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000442924288 373127604 /nfs/dbraw/zinc/12/76/04/373127604.db2.gz OXVUYPBTWDGBME-UHFFFAOYSA-N -1 3 289.253 3.420 20 0 CGADHM CC[C@H]1CCCCCN1C(=O)c1ccc([O-])c(OC)c1 ZINC000442976964 373138247 /nfs/dbraw/zinc/13/82/47/373138247.db2.gz NHCLHKNCICYSGB-ZDUSSCGKSA-N -1 3 277.364 3.196 20 0 CGADHM COc1cc(C(=O)NCC2(CC(C)C)CCC2)ccc1[O-] ZINC000443062222 373145649 /nfs/dbraw/zinc/14/56/49/373145649.db2.gz LDQBUBDLTLAQRN-UHFFFAOYSA-N -1 3 291.391 3.347 20 0 CGADHM CCOc1cc(CN2CCCCC2)cc(Cl)c1[O-] ZINC000297887712 373284047 /nfs/dbraw/zinc/28/40/47/373284047.db2.gz QTSYNRCENLDSRC-UHFFFAOYSA-N -1 3 269.772 3.430 20 0 CGADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CC3CC3)c2)n1 ZINC000298585800 373359720 /nfs/dbraw/zinc/35/97/20/373359720.db2.gz ZXHFJJXPNSNDOR-UHFFFAOYSA-N -1 3 297.358 3.150 20 0 CGADHM CCSCc1ccccc1C(=O)Nc1ncccc1[O-] ZINC000447526407 373443962 /nfs/dbraw/zinc/44/39/62/373443962.db2.gz BHKLYZXJZXERMV-UHFFFAOYSA-N -1 3 288.372 3.293 20 0 CGADHM Cc1cccc(C(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2)c1[O-] ZINC000447766320 373484921 /nfs/dbraw/zinc/48/49/21/373484921.db2.gz RYGBFHUZNHTAMS-LSDHHAIUSA-N -1 3 285.318 3.126 20 0 CGADHM COc1ccccc1C1(C(=O)Nc2ccc(C)cc2[O-])CC1 ZINC000299674731 373594276 /nfs/dbraw/zinc/59/42/76/373594276.db2.gz VOUFHPXSDBEZNZ-UHFFFAOYSA-N -1 3 297.354 3.380 20 0 CGADHM CCCCNC(=O)CCc1ccc2ccccc2c1[O-] ZINC000448565615 373598804 /nfs/dbraw/zinc/59/88/04/373598804.db2.gz MLVUFQFRIIKVJY-UHFFFAOYSA-N -1 3 271.360 3.394 20 0 CGADHM CCC1([N-]S(=O)(=O)c2ccc(F)cc2Cl)CCC1 ZINC000177538945 373690116 /nfs/dbraw/zinc/69/01/16/373690116.db2.gz DGJRYOXMCJRNCZ-UHFFFAOYSA-N -1 3 291.775 3.090 20 0 CGADHM [O-]c1cccc(CN2CCC[C@@H]2[C@@H]2CCC[C@H]2O)c1Cl ZINC000449470673 373754630 /nfs/dbraw/zinc/75/46/30/373754630.db2.gz NWQXOYPWPZJDCQ-BFHYXJOUSA-N -1 3 295.810 3.171 20 0 CGADHM Cc1cccc([O-])c1NC(=O)c1ccc(F)cc1F ZINC000179560839 373888323 /nfs/dbraw/zinc/88/83/23/373888323.db2.gz RRPPOQWFUXSJJP-UHFFFAOYSA-N -1 3 263.243 3.231 20 0 CGADHM Cc1ncc(C(=O)Nc2cccc([O-])c2F)c(C(C)C)n1 ZINC000179157240 373842977 /nfs/dbraw/zinc/84/29/77/373842977.db2.gz ICGPLAIQNFUNST-UHFFFAOYSA-N -1 3 289.310 3.005 20 0 CGADHM CC[C@H]1CCCCN1Cc1ccc(F)cc1C(=O)[O-] ZINC000071264728 541895229 /nfs/dbraw/zinc/89/52/29/541895229.db2.gz ACNKHLHWCUCAEQ-ZDUSSCGKSA-N -1 3 265.328 3.288 20 0 CGADHM CC[C@@H](C)c1cc(C(=O)[N-]c2ncccc2Cl)on1 ZINC000179988025 373951271 /nfs/dbraw/zinc/95/12/71/373951271.db2.gz KVCKLZJRGGSKBT-MRVPVSSYSA-N -1 3 279.727 3.489 20 0 CGADHM Cc1ccc(CNC(=O)c2cccc(C)c2[O-])c(C)c1 ZINC000302927218 374006025 /nfs/dbraw/zinc/00/60/25/374006025.db2.gz CGWAZYXAHMGUNO-UHFFFAOYSA-N -1 3 269.344 3.247 20 0 CGADHM CCC(CC)N(CC(C)C)C(=O)c1cccc2[n-]nnc21 ZINC000180119516 373965560 /nfs/dbraw/zinc/96/55/60/373965560.db2.gz SUSARNXLTWMYAL-UHFFFAOYSA-N -1 3 288.395 3.245 20 0 CGADHM CCC(CC)N(CC(C)C)C(=O)c1cccc2nn[n-]c21 ZINC000180119516 373965566 /nfs/dbraw/zinc/96/55/66/373965566.db2.gz SUSARNXLTWMYAL-UHFFFAOYSA-N -1 3 288.395 3.245 20 0 CGADHM CCC(CC)N(CC(C)C)C(=O)c1cccc2n[n-]nc21 ZINC000180119516 373965572 /nfs/dbraw/zinc/96/55/72/373965572.db2.gz SUSARNXLTWMYAL-UHFFFAOYSA-N -1 3 288.395 3.245 20 0 CGADHM CCCc1cnc(NC(=O)c2cccc(OC)c2[O-])s1 ZINC000180276736 373986826 /nfs/dbraw/zinc/98/68/26/373986826.db2.gz NDSLSJPAZNBIHR-UHFFFAOYSA-N -1 3 292.360 3.062 20 0 CGADHM Cc1ccc([O-])c(C(=O)NC[C@@H](C)Oc2ccccc2C)c1 ZINC000303956306 374031859 /nfs/dbraw/zinc/03/18/59/374031859.db2.gz KLNMVXBOBZLUNT-CQSZACIVSA-N -1 3 299.370 3.206 20 0 CGADHM Cc1ccc([C@@H]2CSCCN2CCCCC(=O)[O-])cc1 ZINC000181564135 374142177 /nfs/dbraw/zinc/14/21/77/374142177.db2.gz BBOZTMFPTOLQQI-HNNXBMFYSA-N -1 3 293.432 3.340 20 0 CGADHM C[C@@H]1CN(C(=O)c2cccc([O-])c2)c2ccccc21 ZINC000182056128 374211232 /nfs/dbraw/zinc/21/12/32/374211232.db2.gz NNTFYFPWVIPPIO-LLVKDONJSA-N -1 3 253.301 3.156 20 0 CGADHM O=C(NCCc1ccc(Cl)s1)c1cccc([O-])c1 ZINC000182076742 374215500 /nfs/dbraw/zinc/21/55/00/374215500.db2.gz DMILQOYBVOZTMR-UHFFFAOYSA-N -1 3 281.764 3.080 20 0 CGADHM CCOc1ccc(OC)cc1NC(=O)c1cccc([O-])c1 ZINC000182385038 374268047 /nfs/dbraw/zinc/26/80/47/374268047.db2.gz XMIDQNQQYCVOTC-UHFFFAOYSA-N -1 3 287.315 3.052 20 0 CGADHM COc1ccc(CC[C@@H](C)NC(=O)c2cccc([O-])c2)cc1 ZINC000182242217 374242950 /nfs/dbraw/zinc/24/29/50/374242950.db2.gz NDNPYRUBEXVFEP-CYBMUJFWSA-N -1 3 299.370 3.152 20 0 CGADHM COc1ccc([O-])c(C(=O)N(C)[C@@H]2CCc3ccccc32)c1 ZINC000078685033 541917111 /nfs/dbraw/zinc/91/71/11/541917111.db2.gz TYGXKBICBWZNMI-MRXNPFEDSA-N -1 3 297.354 3.160 20 0 CGADHM O=C(NC1(c2cccc(Cl)c2)CC1)c1cccc([O-])c1 ZINC000182494462 374281149 /nfs/dbraw/zinc/28/11/49/374281149.db2.gz REHUTYXKUATUIU-UHFFFAOYSA-N -1 3 287.746 3.465 20 0 CGADHM Cc1cccc([O-])c1NC(=O)c1ccc(-c2ncon2)cc1 ZINC000183019056 374355359 /nfs/dbraw/zinc/35/53/59/374355359.db2.gz NJQQDJHXUXKJLP-UHFFFAOYSA-N -1 3 295.298 3.003 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CC[C@@]3(C)[C@@H](C2)C3(F)F)c1 ZINC000334140394 206050358 /nfs/dbraw/zinc/05/03/58/206050358.db2.gz FVWDDKSZTPEZDU-HIFRSBDPSA-N -1 3 295.329 3.072 20 0 CGADHM C[C@H](Cc1ccccc1F)C(=O)Nc1ccc([O-])cc1F ZINC000183239907 374390300 /nfs/dbraw/zinc/39/03/00/374390300.db2.gz DWJONPILMSACQE-SNVBAGLBSA-N -1 3 291.297 3.488 20 0 CGADHM C[C@H](c1ccccc1F)N1CCC(C)(C(=O)[O-])CC1 ZINC000086777010 541940493 /nfs/dbraw/zinc/94/04/93/541940493.db2.gz JGAGRHRRKAUZCN-LLVKDONJSA-N -1 3 265.328 3.073 20 0 CGADHM Cc1cc(C)cc(C[S@@](=O)c2cccc([O-])c2)c1 ZINC000184041501 374485922 /nfs/dbraw/zinc/48/59/22/374485922.db2.gz CSOQGQAXKXVMLJ-GOSISDBHSA-N -1 3 260.358 3.317 20 0 CGADHM COc1ccc(NC(=O)[C@@H]2CCC[C@@H](C)C2)c([O-])c1 ZINC000331274225 374518220 /nfs/dbraw/zinc/51/82/20/374518220.db2.gz DDEFDIQEGNIEIX-GHMZBOCLSA-N -1 3 263.337 3.166 20 0 CGADHM CCc1onc(C)c1[N-]C(=O)c1cc(F)c(C)cc1F ZINC000089398948 541951558 /nfs/dbraw/zinc/95/15/58/541951558.db2.gz SEOCJOUVJRZVNL-UHFFFAOYSA-N -1 3 280.274 3.384 20 0 CGADHM Cc1csc([C@@H](C)NCc2cc([O-])cc(F)c2)n1 ZINC000184143064 374496552 /nfs/dbraw/zinc/49/65/52/374496552.db2.gz MVTHFGMGMBSXMQ-SECBINFHSA-N -1 3 266.341 3.147 20 0 CGADHM C[C@@H]1C[C@@H](CC(=O)NCc2ncccc2[O-])CC(C)(C)C1 ZINC000331029687 374498029 /nfs/dbraw/zinc/49/80/29/374498029.db2.gz YGVQIFPKLZOIKA-OLZOCXBDSA-N -1 3 290.407 3.256 20 0 CGADHM CO[C@H]1CCC[C@@H](CC(=O)Nc2ccc([O-])cc2F)C1 ZINC000331062319 374501407 /nfs/dbraw/zinc/50/14/07/374501407.db2.gz NWWBYWGYKRZRHP-PWSUYJOCSA-N -1 3 281.327 3.065 20 0 CGADHM Cc1cccc(F)c1S(=O)(=O)[N-][C@@H](C)c1ccccc1 ZINC000184507195 374531852 /nfs/dbraw/zinc/53/18/52/374531852.db2.gz ZHCAPOFMBFPUSC-LBPRGKRZSA-N -1 3 293.363 3.174 20 0 CGADHM CC1(C)CC(CC(=O)Nc2ccc([O-])cc2F)C1 ZINC000334177112 206148147 /nfs/dbraw/zinc/14/81/47/206148147.db2.gz DHDILVVUEDSUJX-UHFFFAOYSA-N -1 3 251.301 3.296 20 0 CGADHM COc1ccc(NC(=O)C2=CCCCCC2)c([O-])c1 ZINC000332368466 374570598 /nfs/dbraw/zinc/57/05/98/374570598.db2.gz ZAONKVJFWINDSO-UHFFFAOYSA-N -1 3 261.321 3.230 20 0 CGADHM Cc1ccc(C(=O)N(C)C2CC(C)(C)C2)c([O-])c1C ZINC000458185585 374715724 /nfs/dbraw/zinc/71/57/24/374715724.db2.gz MHSZYKNFGFFUSK-UHFFFAOYSA-N -1 3 261.365 3.270 20 0 CGADHM COc1ccc(C(=O)Nc2c(C)cccc2[O-])c(F)c1 ZINC000334449840 374761198 /nfs/dbraw/zinc/76/11/98/374761198.db2.gz SKKZAOGACRAAKK-UHFFFAOYSA-N -1 3 275.279 3.101 20 0 CGADHM CCc1ncsc1C(=O)[N-]c1cc(F)cc(F)c1F ZINC000334404733 374722023 /nfs/dbraw/zinc/72/20/23/374722023.db2.gz IYTMAPKSURQAFV-UHFFFAOYSA-N -1 3 286.278 3.375 20 0 CGADHM Cc1cccc(F)c1[N-]S(=O)(=O)Cc1ccc(F)cc1 ZINC000185931153 374770410 /nfs/dbraw/zinc/77/04/10/374770410.db2.gz JIPGYYXBQSWRAG-UHFFFAOYSA-N -1 3 297.326 3.215 20 0 CGADHM C[C@@H]1CCCN(Cc2cc(F)cc(Cl)c2)[C@H]1C(=O)[O-] ZINC000334576561 374878258 /nfs/dbraw/zinc/87/82/58/374878258.db2.gz HDYZMVFTCDFQNH-NOZJJQNGSA-N -1 3 285.746 3.164 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])c1cccnc1C1CC1 ZINC000334582412 374882987 /nfs/dbraw/zinc/88/29/87/374882987.db2.gz BITMTNJYBUMENF-UHFFFAOYSA-N -1 3 272.279 3.056 20 0 CGADHM C[C@@H](c1cc(F)ccc1F)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000263329032 296225360 /nfs/dbraw/zinc/22/53/60/296225360.db2.gz LDQOEACTNDEASJ-OUAUKWLOSA-N -1 3 283.318 3.068 20 0 CGADHM COC(=O)c1cnc(SCc2csc(C(C)C)n2)[n-]1 ZINC000187586828 375050455 /nfs/dbraw/zinc/05/04/55/375050455.db2.gz KYSZJOIDRPPYOB-UHFFFAOYSA-N -1 3 297.405 3.069 20 0 CGADHM CCc1ccc(C(=O)Nc2cc(CO)ccc2C)c([O-])c1 ZINC000188444275 375216775 /nfs/dbraw/zinc/21/67/75/375216775.db2.gz JMXXZRFZHJRNDV-UHFFFAOYSA-N -1 3 285.343 3.008 20 0 CGADHM Cc1ccc(Cl)c(NC(=O)c2cccc3nn[n-]c32)c1 ZINC000188453897 375216987 /nfs/dbraw/zinc/21/69/87/375216987.db2.gz MDZXMTQXMDAHMS-UHFFFAOYSA-N -1 3 286.722 3.172 20 0 CGADHM Cc1ccc(Cl)c(NC(=O)c2cccc3[n-]nnc32)c1 ZINC000188453897 375216994 /nfs/dbraw/zinc/21/69/94/375216994.db2.gz MDZXMTQXMDAHMS-UHFFFAOYSA-N -1 3 286.722 3.172 20 0 CGADHM Cc1ccc(Cl)c(NC(=O)c2cccc3n[n-]nc32)c1 ZINC000188453897 375217003 /nfs/dbraw/zinc/21/70/03/375217003.db2.gz MDZXMTQXMDAHMS-UHFFFAOYSA-N -1 3 286.722 3.172 20 0 CGADHM C[C@H]([N-]S(=O)(=O)c1ccco1)c1cc2ccccc2o1 ZINC000188488713 375221576 /nfs/dbraw/zinc/22/15/76/375221576.db2.gz XAZZDCCEIQFKMA-JTQLQIEISA-N -1 3 291.328 3.065 20 0 CGADHM CC1(C)CCN(C(=O)c2cc([O-])ccc2C(F)(F)F)C1 ZINC000189455828 375390928 /nfs/dbraw/zinc/39/09/28/375390928.db2.gz CQCQMVNLLRTZKU-UHFFFAOYSA-N -1 3 287.281 3.283 20 0 CGADHM CCCOc1nc(C)ccc1C(=O)Nc1ccccc1[O-] ZINC000189219770 375343553 /nfs/dbraw/zinc/34/35/53/375343553.db2.gz UPWBXTBOJKJXDT-UHFFFAOYSA-N -1 3 286.331 3.137 20 0 CGADHM Cc1nn(C)cc1[C@H](C)[N-]c1nc(-c2ccc(C)cc2)no1 ZINC000189598347 375421593 /nfs/dbraw/zinc/42/15/93/375421593.db2.gz OOSWYQWZMSGMQL-NSHDSACASA-N -1 3 297.362 3.260 20 0 CGADHM C[C@@H](NC(=O)c1cc([O-])ccc1Cl)c1ccncc1F ZINC000335945382 375561580 /nfs/dbraw/zinc/56/15/80/375561580.db2.gz JPBPCHVXIWWRSL-MRVPVSSYSA-N -1 3 294.713 3.071 20 0 CGADHM O=C(Nc1ccc([O-])cc1F)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000335959773 375571870 /nfs/dbraw/zinc/57/18/70/375571870.db2.gz DRXRQCYOUVRIEU-QWHCGFSZSA-N -1 3 289.281 3.413 20 0 CGADHM O=C(Cc1ccc(Cl)s1)Nc1ccccc1[O-] ZINC000335965701 375577287 /nfs/dbraw/zinc/57/72/87/375577287.db2.gz JEMUJWXQAXEEJC-UHFFFAOYSA-N -1 3 267.737 3.288 20 0 CGADHM Cc1cccc([O-])c1NC(=O)[C@@H]1CC2CCC1CC2 ZINC000497156800 375581468 /nfs/dbraw/zinc/58/14/68/375581468.db2.gz BCVLSPVCSBYYHI-WXRRBKDZSA-N -1 3 259.349 3.465 20 0 CGADHM C[C@@H]1CN(Cc2cc([O-])cc(F)c2)CCC1(F)F ZINC000336012168 375616608 /nfs/dbraw/zinc/61/66/08/375616608.db2.gz WKHYZQMTRTVASL-SECBINFHSA-N -1 3 259.271 3.008 20 0 CGADHM Cc1cc([O-])c2nc(/C=C/c3cocn3)ccc2c1 ZINC000191378320 375621274 /nfs/dbraw/zinc/62/12/74/375621274.db2.gz VFNGROJRRNXXLB-SNAWJCMRSA-N -1 3 252.273 3.407 20 0 CGADHM C[C@@H]1CC[C@H](N(C)C(=O)c2cc([O-])ccc2Cl)C1 ZINC000507310480 375694915 /nfs/dbraw/zinc/69/49/15/375694915.db2.gz UWGWMWDGYZTCBC-ZJUUUORDSA-N -1 3 267.756 3.306 20 0 CGADHM CCCCC(=O)Nc1[n-]c(CCCC)nc1C(=O)OCC ZINC000191964521 375683813 /nfs/dbraw/zinc/68/38/13/375683813.db2.gz WRVPRQWRSPGGOW-UHFFFAOYSA-N -1 3 295.383 3.058 20 0 CGADHM CCCCC(=O)Nc1nc(CCCC)[n-]c1C(=O)OCC ZINC000191964521 375683821 /nfs/dbraw/zinc/68/38/21/375683821.db2.gz WRVPRQWRSPGGOW-UHFFFAOYSA-N -1 3 295.383 3.058 20 0 CGADHM CCC1CCN(Cc2c(F)ccc([O-])c2F)CC1 ZINC000507660742 375719838 /nfs/dbraw/zinc/71/98/38/375719838.db2.gz OXZYHLLWGLFSIR-UHFFFAOYSA-N -1 3 255.308 3.292 20 0 CGADHM C[C@@H]1CCc2onc(C(=O)[N-]c3c(F)cccc3F)c2C1 ZINC000336129306 375707863 /nfs/dbraw/zinc/70/78/63/375707863.db2.gz SUCWBBAZRURRDZ-MRVPVSSYSA-N -1 3 292.285 3.330 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)[C@H]2CC23CCCC3)c1-c1ccccc1 ZINC000336180789 375753303 /nfs/dbraw/zinc/75/33/03/375753303.db2.gz FZEKOYFIDQZTIV-CQSZACIVSA-N -1 3 295.386 3.326 20 0 CGADHM [O-]c1ccc(F)c(CN2CCOC3(CCCCC3)C2)c1F ZINC000508759188 375760677 /nfs/dbraw/zinc/76/06/77/375760677.db2.gz ZZMYRCJUYLQFBP-UHFFFAOYSA-N -1 3 297.345 3.206 20 0 CGADHM CCC(CC)CN(CC)[C@@H](C)c1nc(C)cc(=O)[n-]1 ZINC000192541053 375762980 /nfs/dbraw/zinc/76/29/80/375762980.db2.gz HIWCVEMPADTDDL-LBPRGKRZSA-N -1 3 265.401 3.310 20 0 CGADHM Cc1ccc(CC(=O)Nc2nc(C)ccc2[O-])c(Cl)c1 ZINC000345922693 217750361 /nfs/dbraw/zinc/75/03/61/217750361.db2.gz FUIURFRPGPIEAI-UHFFFAOYSA-N -1 3 290.750 3.239 20 0 CGADHM CCS[C@H]1CCCC[C@H]1N[C@@H](C)c1nc(C)cc(=O)[n-]1 ZINC000192794265 375790770 /nfs/dbraw/zinc/79/07/70/375790770.db2.gz JERUKQSOVCXJKN-XQQFMLRXSA-N -1 3 295.452 3.206 20 0 CGADHM C[C@H](c1ccc(F)cc1)N(C)C(=O)c1cccc([O-])c1 ZINC000193240559 375846082 /nfs/dbraw/zinc/84/60/82/375846082.db2.gz LPYPFACMELWCET-LLVKDONJSA-N -1 3 273.307 3.365 20 0 CGADHM CCCCN(CC)Cc1cc(C(=O)[O-])oc1CC ZINC000519609684 375851223 /nfs/dbraw/zinc/85/12/23/375851223.db2.gz QCPQDJSLGKJSCK-UHFFFAOYSA-N -1 3 253.342 3.162 20 0 CGADHM O=C(c1ccc2n[n-]nc2c1)N1CCC[C@@H]1C1CCCCC1 ZINC000194253480 375975358 /nfs/dbraw/zinc/97/53/58/375975358.db2.gz OMSXRNKWXWGIKG-MRXNPFEDSA-N -1 3 298.390 3.143 20 0 CGADHM CC(C)SCCN=c1[n-]cc(C(F)(F)F)s1 ZINC000336728075 375923585 /nfs/dbraw/zinc/92/35/85/375923585.db2.gz CGBRVPZVPCLIMU-UHFFFAOYSA-N -1 3 270.345 3.137 20 0 CGADHM O=C(c1cc([O-])ccc1C(F)(F)F)N1CCCC2(CC2)C1 ZINC000193857714 375930984 /nfs/dbraw/zinc/93/09/84/375930984.db2.gz LHCBKMBFHQWUKP-UHFFFAOYSA-N -1 3 299.292 3.427 20 0 CGADHM COc1ccc2oc([C@H](C)[N-]C(=O)C(F)F)c(C)c2c1 ZINC000194582485 376021517 /nfs/dbraw/zinc/02/15/17/376021517.db2.gz WGYOAOAHQBXJES-QMMMGPOBSA-N -1 3 283.274 3.192 20 0 CGADHM CCc1cccc(C(=O)N2CCC[C@@H]2c2cccn2C)c1[O-] ZINC000536694129 376123190 /nfs/dbraw/zinc/12/31/90/376123190.db2.gz STGNWPHQWKRVPQ-MRXNPFEDSA-N -1 3 298.386 3.270 20 0 CGADHM COc1ccccc1[C@H](C)NCc1cc([O-])cc(F)c1 ZINC000223081691 376246734 /nfs/dbraw/zinc/24/67/34/376246734.db2.gz BIOZIPCBZZSRQQ-NSHDSACASA-N -1 3 275.323 3.391 20 0 CGADHM COc1cc(C)c(NCc2cc([O-])cc(F)c2)cc1OC ZINC000223099596 376246788 /nfs/dbraw/zinc/24/67/88/376246788.db2.gz AMPGMCASOVTOIG-UHFFFAOYSA-N -1 3 291.322 3.469 20 0 CGADHM Cc1ccc(C(=O)N2CCC[C@@H]2c2ccccn2)c([O-])c1 ZINC000538743650 376268204 /nfs/dbraw/zinc/26/82/04/376268204.db2.gz YGGRRDDPISCWDO-OAHLLOKOSA-N -1 3 282.343 3.073 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2ccnn2CC(C)C)c1 ZINC000538789368 376271886 /nfs/dbraw/zinc/27/18/86/376271886.db2.gz DPHFMRATQAENIJ-UHFFFAOYSA-N -1 3 287.363 3.059 20 0 CGADHM CCc1csc(CC(=O)Nc2ccc(Cl)cc2[O-])n1 ZINC000338177514 376274296 /nfs/dbraw/zinc/27/42/96/376274296.db2.gz WHVDGEDRHGVLQQ-UHFFFAOYSA-N -1 3 296.779 3.246 20 0 CGADHM O=C(Nc1cc(C(F)(F)F)ccc1[O-])[C@@H]1C[C@@H]1C(F)F ZINC000338192547 376278550 /nfs/dbraw/zinc/27/85/50/376278550.db2.gz SRCPAZWQGUXGFA-NKWVEPMBSA-N -1 3 295.207 3.251 20 0 CGADHM Cc1ccc2c(CN[C@H](C)c3ccon3)ccc([O-])c2n1 ZINC000338291787 376317915 /nfs/dbraw/zinc/31/79/15/376317915.db2.gz NLJHLWWCLHKPEL-LLVKDONJSA-N -1 3 283.331 3.088 20 0 CGADHM C[C@@H](c1ccccc1F)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000226455987 376361976 /nfs/dbraw/zinc/36/19/76/376361976.db2.gz XVSKFVJNFNFWHB-STQMWFEESA-N -1 3 279.355 3.464 20 0 CGADHM Cc1cc(C(=O)NC[C@H](C)c2ccccc2)ccc1[O-] ZINC000227013419 376377805 /nfs/dbraw/zinc/37/78/05/376377805.db2.gz ODHRVTULDPAEGF-ZDUSSCGKSA-N -1 3 269.344 3.234 20 0 CGADHM C[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccccc2F)CC1 ZINC000227307022 376387968 /nfs/dbraw/zinc/38/79/68/376387968.db2.gz KBEMXXIGSQFOTD-VXGBXAGGSA-N -1 3 285.384 3.073 20 0 CGADHM COc1ccc(C)cc1C[S@@](=O)c1cccc([O-])c1 ZINC000541759364 376478897 /nfs/dbraw/zinc/47/88/97/376478897.db2.gz IJRFVJZJWOSALT-LJQANCHMSA-N -1 3 276.357 3.017 20 0 CGADHM CCCN(CCC)C(=O)c1cc([O-])ccc1Cl ZINC000233013100 376594475 /nfs/dbraw/zinc/59/44/75/376594475.db2.gz LREZZVPPLJGUMG-UHFFFAOYSA-N -1 3 255.745 3.308 20 0 CGADHM CCS[C@H]1CCC[C@H]1NC(=O)c1cc([O-])ccc1Cl ZINC000233836594 376602148 /nfs/dbraw/zinc/60/21/48/376602148.db2.gz LHJGWKDPWSDMNF-OLZOCXBDSA-N -1 3 299.823 3.450 20 0 CGADHM CCC1CCN(C(=O)c2cc([O-])ccc2Cl)CC1 ZINC000232892981 376592008 /nfs/dbraw/zinc/59/20/08/376592008.db2.gz CJDQJDPDKNVSGQ-UHFFFAOYSA-N -1 3 267.756 3.308 20 0 CGADHM CC[C@]1(C)C[C@H]1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000339007899 376627378 /nfs/dbraw/zinc/62/73/78/376627378.db2.gz YUYZYSNRSNZRRC-TVQRCGJNSA-N -1 3 253.729 3.420 20 0 CGADHM C[C@@H]1CCCN(Cc2cc(Cl)ccc2F)[C@@H]1C(=O)[O-] ZINC000235314961 376637748 /nfs/dbraw/zinc/63/77/48/376637748.db2.gz SNPBVDUHMGSCCH-RNCFNFMXSA-N -1 3 285.746 3.164 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CC[C@@H](C(C)(C)C)C2)c1 ZINC000544339904 376722519 /nfs/dbraw/zinc/72/25/19/376722519.db2.gz PNWIEJHYUNGPHT-CYBMUJFWSA-N -1 3 275.392 3.463 20 0 CGADHM O=C(NCCc1ccc(F)cc1)c1cc([O-])ccc1Cl ZINC000236613274 376671698 /nfs/dbraw/zinc/67/16/98/376671698.db2.gz FIWSUEFLVQBCJD-UHFFFAOYSA-N -1 3 293.725 3.157 20 0 CGADHM COc1cc(C=Cc2nc(C)cc(=O)[n-]2)ccc1SC ZINC000339115806 376689921 /nfs/dbraw/zinc/68/99/21/376689921.db2.gz UFOOREUJMBWWRK-ALCCZGGFSA-N -1 3 288.372 3.392 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2ccc(Cl)s2)n1 ZINC000339116082 376690290 /nfs/dbraw/zinc/69/02/90/376690290.db2.gz LPUVMJPSMZURQT-HYXAFXHYSA-N -1 3 252.726 3.376 20 0 CGADHM Cc1cc(F)c(C(=O)NCc2ccc([O-])c(F)c2)cc1F ZINC000136918069 542092597 /nfs/dbraw/zinc/09/25/97/542092597.db2.gz VSFGMMCTCYKLGB-UHFFFAOYSA-N -1 3 295.260 3.048 20 0 CGADHM CCO[C@@H](CC)c1noc(-c2cc(C)ccc2[O-])n1 ZINC000157375363 542133882 /nfs/dbraw/zinc/13/38/82/542133882.db2.gz HTIIGASHQXPKTR-LBPRGKRZSA-N -1 3 262.309 3.238 20 0 CGADHM CSc1nnc(NC(=O)C[C@@H]2C[C@@H](C)CC(C)(C)C2)[n-]1 ZINC000340263363 376972039 /nfs/dbraw/zinc/97/20/39/376972039.db2.gz PGDYIAXJKJPHQG-ZJUUUORDSA-N -1 3 296.440 3.318 20 0 CGADHM CSc1n[n-]c(NC(=O)C[C@@H]2C[C@@H](C)CC(C)(C)C2)n1 ZINC000340263363 376972045 /nfs/dbraw/zinc/97/20/45/376972045.db2.gz PGDYIAXJKJPHQG-ZJUUUORDSA-N -1 3 296.440 3.318 20 0 CGADHM CSc1nc(NC(=O)C[C@@H]2C[C@@H](C)CC(C)(C)C2)n[n-]1 ZINC000340263363 376972049 /nfs/dbraw/zinc/97/20/49/376972049.db2.gz PGDYIAXJKJPHQG-ZJUUUORDSA-N -1 3 296.440 3.318 20 0 CGADHM C[C@H]1CCC[C@H]1CNC(=O)Cc1ccc([O-])cc1Cl ZINC000340084991 376913237 /nfs/dbraw/zinc/91/32/37/376913237.db2.gz IXUUHKZZNUYCIS-JQWIXIFHSA-N -1 3 281.783 3.141 20 0 CGADHM CCc1cc(C(=O)N[C@H](C)Cc2cccs2)ccc1[O-] ZINC000557596654 376946561 /nfs/dbraw/zinc/94/65/61/376946561.db2.gz UWCZSVALWPKXAO-LLVKDONJSA-N -1 3 289.400 3.377 20 0 CGADHM O=C(Nc1ccc(Cl)cc1[O-])[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000246085584 376965196 /nfs/dbraw/zinc/96/51/96/376965196.db2.gz LMVCKWRYMMLUNS-IWIIMEHWSA-N -1 3 265.740 3.420 20 0 CGADHM COC[C@@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000340318985 377000495 /nfs/dbraw/zinc/00/04/95/377000495.db2.gz XSMGSMBNMVUECL-QMMMGPOBSA-N -1 3 291.269 3.022 20 0 CGADHM O=C(Nc1ccc(Cl)cc1[O-])c1cccc2n[nH]cc21 ZINC000340331971 377007165 /nfs/dbraw/zinc/00/71/65/377007165.db2.gz VMWXESDBLWHMFS-UHFFFAOYSA-N -1 3 287.706 3.174 20 0 CGADHM O=C(Nc1ccc(Cl)cc1[O-])c1cccc2[nH]ncc21 ZINC000340331971 377007172 /nfs/dbraw/zinc/00/71/72/377007172.db2.gz VMWXESDBLWHMFS-UHFFFAOYSA-N -1 3 287.706 3.174 20 0 CGADHM O=C(c1cccc([O-])c1)N1CCSC2(CCCCC2)C1 ZINC000182572263 296253473 /nfs/dbraw/zinc/25/34/73/296253473.db2.gz TYUNQJFLMBIVEY-UHFFFAOYSA-N -1 3 291.416 3.284 20 0 CGADHM COc1ccc(C(=O)N2[C@H](C)C[C@@H]3CCCC[C@H]32)c([O-])c1 ZINC000246708201 377075345 /nfs/dbraw/zinc/07/53/45/377075345.db2.gz DNNFINKZMCQJQK-TYNCELHUSA-N -1 3 289.375 3.194 20 0 CGADHM Cc1ccc([O-])c(C(=O)N[C@H]2C[C@@H]2c2cccc(F)c2)c1 ZINC000560607947 377179516 /nfs/dbraw/zinc/17/95/16/377179516.db2.gz RVPYTBIYNATKCQ-HIFRSBDPSA-N -1 3 285.318 3.126 20 0 CGADHM Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1F ZINC000248104320 377266105 /nfs/dbraw/zinc/26/61/05/377266105.db2.gz KTDSNRUREZTASA-UHFFFAOYSA-N -1 3 297.326 3.382 20 0 CGADHM CCC[C@@H]1CCC[C@@H]1C(=O)N=c1cc(-c2cccnc2)[n-][nH]1 ZINC000562519279 377321173 /nfs/dbraw/zinc/32/11/73/377321173.db2.gz UUVGTPKONISFSB-OCCSQVGLSA-N -1 3 298.390 3.049 20 0 CGADHM COc1cccc(C(=O)N2C[C@H](C)[C@@H]3CCCC[C@@H]32)c1[O-] ZINC000248385122 377300809 /nfs/dbraw/zinc/30/08/09/377300809.db2.gz HGZGAUOKSDRVDV-OBJOEFQTSA-N -1 3 289.375 3.052 20 0 CGADHM CC(C)Sc1ccc(CN2CC[C@@H](C(=O)[O-])C2)cc1 ZINC000563278187 377433201 /nfs/dbraw/zinc/43/32/01/377433201.db2.gz RQVWUULBZFNLKA-CYBMUJFWSA-N -1 3 279.405 3.094 20 0 CGADHM Cc1cc(C)c(CN[C@H](CC(=O)[O-])c2ccncc2)cc1C ZINC000563434200 377464267 /nfs/dbraw/zinc/46/42/67/377464267.db2.gz ZTHBQIOVLVBTJF-QGZVFWFLSA-N -1 3 298.386 3.312 20 0 CGADHM Cc1ccc(C(=O)N[C@@H](C)CC(=O)c2ccccc2)c([O-])c1 ZINC000092599984 249034105 /nfs/dbraw/zinc/03/41/05/249034105.db2.gz ZDNHZCMGRWGTBZ-ZDUSSCGKSA-N -1 3 297.354 3.092 20 0 CGADHM Cc1ccc(C(=O)Nc2cccc(-c3ncc[nH]3)c2)c([O-])c1 ZINC000094106197 249038929 /nfs/dbraw/zinc/03/89/29/249038929.db2.gz GECFZKVPYYGZHV-UHFFFAOYSA-N -1 3 293.326 3.343 20 0 CGADHM CC1=CCC[C@H](C)[C@@H]1CN[C@H](C)c1ncc(C(=O)[O-])s1 ZINC000573802164 377578208 /nfs/dbraw/zinc/57/82/08/377578208.db2.gz FUSADOLHOIDIND-QJPTWQEYSA-N -1 3 294.420 3.484 20 0 CGADHM CC1=CCC[C@H](C)[C@H]1CN[C@H](C)c1ncc(C(=O)[O-])s1 ZINC000573802174 377578746 /nfs/dbraw/zinc/57/87/46/377578746.db2.gz FUSADOLHOIDIND-TUAOUCFPSA-N -1 3 294.420 3.484 20 0 CGADHM COc1ccnc(C(=O)[N-]c2c(F)cc(Cl)cc2F)c1 ZINC000180351375 542208605 /nfs/dbraw/zinc/20/86/05/542208605.db2.gz FJNJGTAXWVIINC-UHFFFAOYSA-N -1 3 298.676 3.274 20 0 CGADHM Cc1oc([C@H](C)N2C[C@H](C)S[C@@H](C)C2)cc1C(=O)[O-] ZINC000574816143 377712474 /nfs/dbraw/zinc/71/24/74/377712474.db2.gz GJUTZVHQJIZRKS-GUBZILKMSA-N -1 3 283.393 3.173 20 0 CGADHM CC1(C)[C@H](Oc2ccccc2)C[C@@H]1NCc1ncccc1[O-] ZINC000575218467 377762767 /nfs/dbraw/zinc/76/27/67/377762767.db2.gz ARSLXDPTTYTOEP-DLBZAZTESA-N -1 3 298.386 3.123 20 0 CGADHM C[C@@H](C(=O)[O-])N(Cc1cccc(Cl)c1Cl)C1CC1 ZINC000262285960 377892067 /nfs/dbraw/zinc/89/20/67/377892067.db2.gz WQJLCYSGPZMDDW-QMMMGPOBSA-N -1 3 288.174 3.431 20 0 CGADHM CCOCc1ccccc1CNCc1ccc(C(=O)[O-])cc1 ZINC000261865557 377861474 /nfs/dbraw/zinc/86/14/74/377861474.db2.gz GLDRPBCMKPFEEM-UHFFFAOYSA-N -1 3 299.370 3.211 20 0 CGADHM C[C@H]1CC[C@H](C(=O)[O-])CN1Cc1cnc(C(C)(C)C)s1 ZINC000263133719 377920507 /nfs/dbraw/zinc/92/05/07/377920507.db2.gz DAZCAXOZQFRLKL-QWRGUYRKSA-N -1 3 296.436 3.126 20 0 CGADHM CC(C)C[C@@H](CNCc1ncc(C(C)C)s1)C(=O)[O-] ZINC000263454152 377939191 /nfs/dbraw/zinc/93/91/91/377939191.db2.gz BMZARTKOYKJAKQ-NSHDSACASA-N -1 3 284.425 3.103 20 0 CGADHM C[C@H]1CC[C@@H](C(=O)[O-])CN1Cc1ccc(Cl)s1 ZINC000263528429 377944212 /nfs/dbraw/zinc/94/42/12/377944212.db2.gz VEVAJODIVSNPKO-DTWKUNHWSA-N -1 3 273.785 3.087 20 0 CGADHM CC(C)Oc1ccc(CN(C)CCC(=O)[O-])cc1Cl ZINC000263565178 377947585 /nfs/dbraw/zinc/94/75/85/377947585.db2.gz FHJVJCUBCSBSFD-UHFFFAOYSA-N -1 3 285.771 3.034 20 0 CGADHM C[C@H]1CC[C@H](NC(=O)c2c[n-]c3ccccc3c2=O)CC1 ZINC000264437534 377984993 /nfs/dbraw/zinc/98/49/93/377984993.db2.gz DYJLIHGVRIGJRV-HAQNSBGRSA-N -1 3 284.359 3.249 20 0 CGADHM Cc1nc(C(C)C)ccc1CN(C[C@@H](C)C(=O)[O-])C1CC1 ZINC000577879543 378021021 /nfs/dbraw/zinc/02/10/21/378021021.db2.gz FFIRQQIBFFRNGY-GFCCVEGCSA-N -1 3 290.407 3.199 20 0 CGADHM CC[C@@H](NC(=O)c1c[n-]nc1-c1ccccn1)[C@H]1CC1(C)C ZINC000579209883 378141057 /nfs/dbraw/zinc/14/10/57/378141057.db2.gz LDERZAPIFUFIFK-CHWSQXEVSA-N -1 3 298.390 3.026 20 0 CGADHM CSCCCC(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000345151446 378207153 /nfs/dbraw/zinc/20/71/53/378207153.db2.gz CSUBMGYGFHNXGT-LLVKDONJSA-N -1 3 279.405 3.376 20 0 CGADHM CC(C)[C@H](C(=O)Nc1ccccc1[O-])c1ccncc1 ZINC000344203621 378163552 /nfs/dbraw/zinc/16/35/52/378163552.db2.gz YAUSKIOQTIGRMX-HNNXBMFYSA-N -1 3 270.332 3.166 20 0 CGADHM CO[C@@]1(C)C[C@H](N(C)Cc2ccc(C(=O)[O-])s2)C1(C)C ZINC000580956256 378271834 /nfs/dbraw/zinc/27/18/34/378271834.db2.gz ZQLDCJKIDZHMDV-WFASDCNBSA-N -1 3 297.420 3.082 20 0 CGADHM CN(C[C@@H]1CC=CCC1)C(=O)Cc1ccc([O-])cc1Cl ZINC000345465577 378290504 /nfs/dbraw/zinc/29/05/04/378290504.db2.gz KNNUIUGPLRXSQX-GFCCVEGCSA-N -1 3 293.794 3.403 20 0 CGADHM CCN(Cc1csc(C(=O)[O-])c1)Cc1ccccc1 ZINC000580319625 378241771 /nfs/dbraw/zinc/24/17/71/378241771.db2.gz RIRDZUHRFPOJFN-UHFFFAOYSA-N -1 3 275.373 3.468 20 0 CGADHM CCOC[C@@H]1CCCN(Cc2cc(C(=O)[O-])sc2C)C1 ZINC000580720292 378252812 /nfs/dbraw/zinc/25/28/12/378252812.db2.gz XOEDTTAZYPLFLM-GFCCVEGCSA-N -1 3 297.420 3.003 20 0 CGADHM Cc1oc(CN(C)[C@H]2CCc3ccccc3C2)cc1C(=O)[O-] ZINC000582306240 378302188 /nfs/dbraw/zinc/30/21/88/378302188.db2.gz HIDCIDKBOKNSLO-HNNXBMFYSA-N -1 3 299.370 3.276 20 0 CGADHM CCOc1nc2ccc(C(=O)Nc3ccc(F)cc3)cc2[n-]1 ZINC000345606828 378321698 /nfs/dbraw/zinc/32/16/98/378321698.db2.gz COMZINOXIKLQKU-UHFFFAOYSA-N -1 3 299.305 3.353 20 0 CGADHM CCOc1nc2cc(C(=O)Nc3ccc(F)cc3)ccc2[n-]1 ZINC000345606828 378321701 /nfs/dbraw/zinc/32/17/01/378321701.db2.gz COMZINOXIKLQKU-UHFFFAOYSA-N -1 3 299.305 3.353 20 0 CGADHM Cc1cccc([C@@H]2CCCN2C(=O)Cc2cncc([O-])c2)c1 ZINC000584540123 378393566 /nfs/dbraw/zinc/39/35/66/378393566.db2.gz OFFPOOXSWIOFMG-KRWDZBQOSA-N -1 3 296.370 3.002 20 0 CGADHM Cc1ccc([O-])c(NC(=O)Cc2cccc3ccccc32)n1 ZINC000345933105 378412987 /nfs/dbraw/zinc/41/29/87/378412987.db2.gz RYGRONWVUZNFOG-UHFFFAOYSA-N -1 3 292.338 3.430 20 0 CGADHM Cc1ccc([O-])c(NC(=O)C(C)(C)c2ccccc2F)n1 ZINC000345939074 378414664 /nfs/dbraw/zinc/41/46/64/378414664.db2.gz YOKCOHXJYZCEQL-UHFFFAOYSA-N -1 3 288.322 3.151 20 0 CGADHM Cc1ccc([O-])c(NC(=O)C(C)(C)C2CCCC2)n1 ZINC000345941312 378415634 /nfs/dbraw/zinc/41/56/34/378415634.db2.gz OCPRPEZFUVMWJU-UHFFFAOYSA-N -1 3 262.353 3.251 20 0 CGADHM CC(C)c1coc([N-]C(=O)c2cc(C(C)(C)C)on2)n1 ZINC000637635872 378549342 /nfs/dbraw/zinc/54/93/42/378549342.db2.gz LUOBLNBXSSCKQW-UHFFFAOYSA-N -1 3 277.324 3.336 20 0 CGADHM CCC(CC)c1noc(-c2cccc(OC)c2[O-])n1 ZINC000274063879 378772316 /nfs/dbraw/zinc/77/23/16/378772316.db2.gz WEOOWPVCJFKTTR-UHFFFAOYSA-N -1 3 262.309 3.354 20 0 CGADHM O=C([N-]OC1CCCC1)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000274303513 378807639 /nfs/dbraw/zinc/80/76/39/378807639.db2.gz OJWIDHTWBCLARS-WDEREUQCSA-N -1 3 299.292 3.198 20 0 CGADHM [O-]c1cc(F)cc(CN2CCC[C@H]2c2ccc[nH]2)c1 ZINC000274590125 378856596 /nfs/dbraw/zinc/85/65/96/378856596.db2.gz PBRMXCVTIAOKMI-HNNXBMFYSA-N -1 3 260.312 3.197 20 0 CGADHM CC(C)(O)c1ccc(CNCc2cc([O-])cc(F)c2)cc1 ZINC000274812745 378900209 /nfs/dbraw/zinc/90/02/09/378900209.db2.gz QPIKCMUBQJNWBC-UHFFFAOYSA-N -1 3 289.350 3.049 20 0 CGADHM [O-]c1ccc(CCCc2nc(-c3ccoc3)no2)cc1F ZINC000347105873 218123200 /nfs/dbraw/zinc/12/32/00/218123200.db2.gz QGGMOXCKXBXZET-UHFFFAOYSA-N -1 3 288.278 3.350 20 0 CGADHM CCOc1cccc(CN[C@@H](C(=O)[O-])c2ccc(C)cc2)c1 ZINC000276935985 379025214 /nfs/dbraw/zinc/02/52/14/379025214.db2.gz CCZOTDQGLTWIEH-QGZVFWFLSA-N -1 3 299.370 3.309 20 0 CGADHM COc1cc(C(=O)N2CCc3ccccc3[C@@H]2C)ccc1[O-] ZINC000276902611 379018186 /nfs/dbraw/zinc/01/81/86/379018186.db2.gz JGTSDGFNQDQTCL-LBPRGKRZSA-N -1 3 297.354 3.160 20 0 CGADHM COCc1cccc(CN[C@H](C(=O)[O-])c2ccc(C)cc2)c1 ZINC000276953196 379030257 /nfs/dbraw/zinc/03/02/57/379030257.db2.gz FAGBPFQHHISARH-KRWDZBQOSA-N -1 3 299.370 3.057 20 0 CGADHM C[C@H](NC(=O)c1csc(=O)[n-]1)c1cc2ccccc2o1 ZINC000348967473 379123482 /nfs/dbraw/zinc/12/34/82/379123482.db2.gz GBZGQMINDRPJNG-QMMMGPOBSA-N -1 3 288.328 3.086 20 0 CGADHM CC[C@H]1OCCC[C@H]1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000277259070 379111934 /nfs/dbraw/zinc/11/19/34/379111934.db2.gz FWZKCFVUAOSZCX-ZWNOBZJWSA-N -1 3 283.755 3.189 20 0 CGADHM CC(C)c1cnc(NC([O-])=NOCCC(F)(F)F)s1 ZINC000277253735 379112020 /nfs/dbraw/zinc/11/20/20/379112020.db2.gz NMEKTBZDHZIQSK-UHFFFAOYSA-N -1 3 297.302 3.272 20 0 CGADHM CC(C)c1cnc(NC(=O)[N-]OCCC(F)(F)F)s1 ZINC000277253735 379112024 /nfs/dbraw/zinc/11/20/24/379112024.db2.gz NMEKTBZDHZIQSK-UHFFFAOYSA-N -1 3 297.302 3.272 20 0 CGADHM CC[C@@H](C)c1nnc([C@@H](C)NCc2cc([O-])cc(F)c2)[nH]1 ZINC000277446441 379160195 /nfs/dbraw/zinc/16/01/95/379160195.db2.gz OWSMVQMAJFNJAH-NXEZZACHSA-N -1 3 292.358 3.014 20 0 CGADHM COc1ccccc1CN[C@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000277345085 379137489 /nfs/dbraw/zinc/13/74/89/379137489.db2.gz PDCJTCVMCUJGMS-GUYCJALGSA-N -1 3 299.370 3.247 20 0 CGADHM O=C([O-])[C@H]1CCCCCC[C@H]1NCc1cccnc1Cl ZINC000277530978 379182716 /nfs/dbraw/zinc/18/27/16/379182716.db2.gz ZFIGKAJXUPNUDA-QWHCGFSZSA-N -1 3 296.798 3.248 20 0 CGADHM CCCC[C@H](C(=O)[O-])N1CCc2cc(Cl)ccc2C1 ZINC000568641484 322216975 /nfs/dbraw/zinc/21/69/75/322216975.db2.gz MOMVEZXVWPCSIE-CQSZACIVSA-N -1 3 281.783 3.342 20 0 CGADHM Cc1ccc([C@@H](NCc2cnc(C)[n-]c2=O)C2CCC2)o1 ZINC000349660912 379336237 /nfs/dbraw/zinc/33/62/37/379336237.db2.gz CZVKCBMODKSSED-HNNXBMFYSA-N -1 3 287.363 3.023 20 0 CGADHM COCc1ncc(C(=O)[N-]c2ccccc2SC)s1 ZINC000349518062 379296933 /nfs/dbraw/zinc/29/69/33/379296933.db2.gz AUXMPCNENANVRZ-UHFFFAOYSA-N -1 3 294.401 3.264 20 0 CGADHM [O-]c1cc(F)cc(CNc2cccc3c2OCCC3)c1 ZINC000349570141 379307807 /nfs/dbraw/zinc/30/78/07/379307807.db2.gz RKZHHIZNKBSOOH-UHFFFAOYSA-N -1 3 273.307 3.468 20 0 CGADHM C[C@@H](N(C)C(=O)c1cc([O-])ccc1Cl)C1(C)CC1 ZINC000278322362 379347197 /nfs/dbraw/zinc/34/71/97/379347197.db2.gz ITZRTLGVEJWHOX-SECBINFHSA-N -1 3 267.756 3.306 20 0 CGADHM CCOc1cc(-c2noc(-c3cccnc3C)n2)ccc1[O-] ZINC000350793247 379584472 /nfs/dbraw/zinc/58/44/72/379584472.db2.gz MCOGUXKTSPAVSP-UHFFFAOYSA-N -1 3 297.314 3.211 20 0 CGADHM C[C@H](Cc1ccccc1C(F)(F)F)[N-]C(=O)C(F)F ZINC000280077860 379598453 /nfs/dbraw/zinc/59/84/53/379598453.db2.gz CHAFGANPBYBFBW-SSDOTTSWSA-N -1 3 281.224 3.018 20 0 CGADHM C[C@H](Cc1nc(-c2ccc([O-])cc2)no1)c1cccnc1 ZINC000350573377 379564813 /nfs/dbraw/zinc/56/48/13/379564813.db2.gz GGVBIVCONAVQKQ-LLVKDONJSA-N -1 3 281.315 3.183 20 0 CGADHM CCOc1cc(-c2noc([C@H]3C[C@@H]3C(F)F)n2)ccc1[O-] ZINC000350585592 379567232 /nfs/dbraw/zinc/56/72/32/379567232.db2.gz UEKJOVHJNJNKCL-IUCAKERBSA-N -1 3 296.273 3.210 20 0 CGADHM Cc1ccc(C(=O)N(CC2CC2)CC2CCC2)c([O-])c1 ZINC000280103652 379606226 /nfs/dbraw/zinc/60/62/26/379606226.db2.gz POSFISYIJQHTIJ-UHFFFAOYSA-N -1 3 273.376 3.353 20 0 CGADHM CC(C)(Cc1ccc(C(F)(F)F)cc1)[N-]C(=O)C(F)F ZINC000280397819 379698450 /nfs/dbraw/zinc/69/84/50/379698450.db2.gz YGPJNPBKLFNKEF-UHFFFAOYSA-N -1 3 295.251 3.408 20 0 CGADHM COc1cc(-c2noc([C@@H](CC(C)C)OC)n2)ccc1[O-] ZINC000351178607 379672070 /nfs/dbraw/zinc/67/20/70/379672070.db2.gz GLTZECZWFBXDOS-CYBMUJFWSA-N -1 3 292.335 3.184 20 0 CGADHM Cc1ccnc(NC(=O)c2cc(C(F)F)[n-]n2)c1C1CC1 ZINC000640698805 379847690 /nfs/dbraw/zinc/84/76/90/379847690.db2.gz NIOTZMQSVSJLAO-UHFFFAOYSA-N -1 3 292.289 3.180 20 0 CGADHM CCSCCCNC(=O)c1cc([O-])c2ccccc2c1 ZINC000281971333 379848536 /nfs/dbraw/zinc/84/85/36/379848536.db2.gz FLGXFTDPNKYLHO-UHFFFAOYSA-N -1 3 289.400 3.418 20 0 CGADHM CCCCCN(Cc1nc(C(=O)[O-])cs1)C(C)C ZINC000378684161 379854698 /nfs/dbraw/zinc/85/46/98/379854698.db2.gz VFDTXNSNMRQYOD-UHFFFAOYSA-N -1 3 270.398 3.242 20 0 CGADHM CC(F)(F)c1ccc(CNC(=O)c2cccc([O-])c2)cc1 ZINC000352599432 379871832 /nfs/dbraw/zinc/87/18/32/379871832.db2.gz ZATPUEYBYFTXNL-UHFFFAOYSA-N -1 3 291.297 3.434 20 0 CGADHM CC(C)c1ccc(CNCc2ncccc2[O-])cc1 ZINC000347884683 218388551 /nfs/dbraw/zinc/38/85/51/218388551.db2.gz XEPJLNOFRLEXOO-UHFFFAOYSA-N -1 3 256.349 3.200 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])[C@@H]1CCCSC1 ZINC000352946471 380051538 /nfs/dbraw/zinc/05/15/38/380051538.db2.gz WEEXAKIIBOJCCB-MRVPVSSYSA-N -1 3 271.769 3.127 20 0 CGADHM C[C@@H](CCC(C)(C)C)C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000352988860 380067573 /nfs/dbraw/zinc/06/75/73/380067573.db2.gz QIIXXLFNBZGXOA-WCQYABFASA-N -1 3 293.411 3.084 20 0 CGADHM CC(C)O[C@H]1C[C@H](NCc2c(F)ccc([O-])c2F)C1(C)C ZINC000352923150 380039944 /nfs/dbraw/zinc/03/99/44/380039944.db2.gz GRWNMRBTRDGLBM-KBPBESRZSA-N -1 3 299.361 3.352 20 0 CGADHM CCCN(Cc1ccc(OC)cc1)C(=O)c1ccccc1[O-] ZINC000642063676 380135706 /nfs/dbraw/zinc/13/57/06/380135706.db2.gz DMBYZZGPTUOXEG-UHFFFAOYSA-N -1 3 299.370 3.453 20 0 CGADHM COc1cc(C(=O)N[C@@H](C)CCc2ccccc2)ccc1[O-] ZINC000268063357 190373486 /nfs/dbraw/zinc/37/34/86/190373486.db2.gz FXHRSHCTVFJTGH-ZDUSSCGKSA-N -1 3 299.370 3.152 20 0 CGADHM Cc1cc(OCc2cccc(F)c2F)cc2occ([O-])c21 ZINC000642609307 380179304 /nfs/dbraw/zinc/17/93/04/380179304.db2.gz BSXBXPMFQMPXRY-UHFFFAOYSA-N -1 3 290.265 3.427 20 0 CGADHM CO[C@H](C(=O)Nc1ccc([O-])c(C(F)(F)F)c1)C(C)C ZINC000353977168 380262222 /nfs/dbraw/zinc/26/22/22/380262222.db2.gz UTBROEBUIWGDHV-NSHDSACASA-N -1 3 291.269 3.021 20 0 CGADHM Cc1ccccc1-c1cc(=NC(=O)CCCC2CC2)[nH][n-]1 ZINC000643184025 380226327 /nfs/dbraw/zinc/22/63/27/380226327.db2.gz IZPLSSXPIZUZMA-UHFFFAOYSA-N -1 3 283.375 3.326 20 0 CGADHM CCc1ccc(-c2ccc(CN(C)CCC(=O)[O-])o2)cc1 ZINC000414681488 380370524 /nfs/dbraw/zinc/37/05/24/380370524.db2.gz MHGDVXZXJJVBGQ-UHFFFAOYSA-N -1 3 287.359 3.416 20 0 CGADHM CN(Cc1cc([O-])cc(F)c1)Cc1c(F)cccc1F ZINC000354356150 380411287 /nfs/dbraw/zinc/41/12/87/380411287.db2.gz OKVBQDLUTAABAB-UHFFFAOYSA-N -1 3 281.277 3.442 20 0 CGADHM Cc1cc(C(=O)Nc2cccc(-n3ccnc3)c2)ccc1[O-] ZINC000354379799 380418915 /nfs/dbraw/zinc/41/89/15/380418915.db2.gz DPFKKUNAFMMQLX-UHFFFAOYSA-N -1 3 293.326 3.139 20 0 CGADHM Cc1cc(C(=O)Nc2cccc(-c3ncc[nH]3)c2)ccc1[O-] ZINC000354378406 380419414 /nfs/dbraw/zinc/41/94/14/380419414.db2.gz AGXZGUFRFBAUJL-UHFFFAOYSA-N -1 3 293.326 3.343 20 0 CGADHM O=C(Nc1ccccc1[O-])c1cc2[nH]ccc2s1 ZINC000354827530 380556100 /nfs/dbraw/zinc/55/61/00/380556100.db2.gz AMYJSIZZSQOJEY-UHFFFAOYSA-N -1 3 258.302 3.187 20 0 CGADHM CC(C)(C)[C@@H](CNCc1ccc(Cl)o1)CC(=O)[O-] ZINC000417551940 380635891 /nfs/dbraw/zinc/63/58/91/380635891.db2.gz BOEKSKNXXQGULI-SECBINFHSA-N -1 3 273.760 3.160 20 0 CGADHM C[C@H](CN=c1[n-]c(C(F)(F)F)cs1)CC(F)F ZINC000645305056 380644760 /nfs/dbraw/zinc/64/47/60/380644760.db2.gz PFZXJCAJDNITPM-YFKPBYRVSA-N -1 3 274.258 3.287 20 0 CGADHM C[C@@H](CNCc1ccc(-c2c(F)cccc2F)o1)C(=O)[O-] ZINC000417584618 380644986 /nfs/dbraw/zinc/64/49/86/380644986.db2.gz NDYGXMANBWAXDB-VIFPVBQESA-N -1 3 295.285 3.035 20 0 CGADHM C[C@@H](CN=c1[n-]cc(C(F)(F)F)s1)CC(F)F ZINC000645307417 380645961 /nfs/dbraw/zinc/64/59/61/380645961.db2.gz PTJLEMKJEMHBNI-RXMQYKEDSA-N -1 3 274.258 3.287 20 0 CGADHM [O-]c1cccc(CNCCCOCC(F)(F)F)c1Cl ZINC000645145607 380594168 /nfs/dbraw/zinc/59/41/68/380594168.db2.gz MEOCWAHYYJJPPN-UHFFFAOYSA-N -1 3 297.704 3.104 20 0 CGADHM C[C@H](CN=c1[n-]cc(C(F)(F)F)s1)CC(F)F ZINC000645307418 380646161 /nfs/dbraw/zinc/64/61/61/380646161.db2.gz PTJLEMKJEMHBNI-YFKPBYRVSA-N -1 3 274.258 3.287 20 0 CGADHM [O-]c1cccc(CN[C@@H](CCO)C2CCCCC2)c1Cl ZINC000645171195 380603428 /nfs/dbraw/zinc/60/34/28/380603428.db2.gz DGFUEJRIIGYZMN-AWEZNQCLSA-N -1 3 297.826 3.467 20 0 CGADHM CC1(C)CCC[C@](O)(CNCc2cccc([O-])c2Cl)C1 ZINC000645175230 380604523 /nfs/dbraw/zinc/60/45/23/380604523.db2.gz NDYWTYFNKXMRDL-MRXNPFEDSA-N -1 3 297.826 3.467 20 0 CGADHM [O-]c1cccc(CNC2CC(C(F)(F)F)C2)c1Cl ZINC000645181250 380605783 /nfs/dbraw/zinc/60/57/83/380605783.db2.gz YEQMRKKQAQYKAI-UHFFFAOYSA-N -1 3 279.689 3.476 20 0 CGADHM O=C([N-]c1cnoc1)c1cc(Cl)c(F)cc1Cl ZINC000645233434 380626323 /nfs/dbraw/zinc/62/63/23/380626323.db2.gz HBFIRCCFUVVWKF-UHFFFAOYSA-N -1 3 275.066 3.373 20 0 CGADHM COc1cccc(Cl)c1CN[C@H](CC1CCC1)C(=O)[O-] ZINC000417701006 380668576 /nfs/dbraw/zinc/66/85/76/380668576.db2.gz JHTSKBDJDMOTCX-CYBMUJFWSA-N -1 3 297.782 3.082 20 0 CGADHM C[C@@H]1[C@H](C)CN(Cc2c(F)ccc([O-])c2F)[C@H]1C ZINC000418123738 380705129 /nfs/dbraw/zinc/70/51/29/380705129.db2.gz LQFKZUIBUYATEO-BBBLOLIVSA-N -1 3 255.308 3.147 20 0 CGADHM CCc1cccc(Cl)c1CN[C@@H]1C=C[C@H](C(=O)[O-])C1 ZINC000417612163 380650496 /nfs/dbraw/zinc/65/04/96/380650496.db2.gz BPVSUQHHVXMVSL-NWDGAFQWSA-N -1 3 279.767 3.021 20 0 CGADHM O=C([O-])C1(CNCc2csc(Cl)c2Cl)CCC1 ZINC000417622432 380654948 /nfs/dbraw/zinc/65/49/48/380654948.db2.gz OGGXMWKFJRMABY-UHFFFAOYSA-N -1 3 294.203 3.399 20 0 CGADHM O=C([O-])[C@@H](CC1CC1)NCc1ccc(Cl)cc1Cl ZINC000417622722 380655375 /nfs/dbraw/zinc/65/53/75/380655375.db2.gz MNVBKWXYFOTJEQ-GFCCVEGCSA-N -1 3 288.174 3.336 20 0 CGADHM CC[C@H]1CCCC[C@H]1C(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000355605058 380725613 /nfs/dbraw/zinc/72/56/13/380725613.db2.gz JCCXBAGKDVHTQT-WDEREUQCSA-N -1 3 288.351 3.220 20 0 CGADHM CC[C@H]1CCCC[C@H]1C(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000355605058 380725620 /nfs/dbraw/zinc/72/56/20/380725620.db2.gz JCCXBAGKDVHTQT-WDEREUQCSA-N -1 3 288.351 3.220 20 0 CGADHM CC[C@H]1CCCC[C@H]1C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000355605058 380725625 /nfs/dbraw/zinc/72/56/25/380725625.db2.gz JCCXBAGKDVHTQT-WDEREUQCSA-N -1 3 288.351 3.220 20 0 CGADHM Cn1c(=O)[n-]nc1SCc1cc(Cl)sc1Cl ZINC000418830818 380738988 /nfs/dbraw/zinc/73/89/88/380738988.db2.gz FYWTXSLUGCTHKX-UHFFFAOYSA-N -1 3 296.204 3.181 20 0 CGADHM CCc1csc(NC(=O)c2c[n-]nc2-c2ccccc2)n1 ZINC000355748499 380768629 /nfs/dbraw/zinc/76/86/29/380768629.db2.gz KDJNONIUIQTEOT-UHFFFAOYSA-N -1 3 298.371 3.348 20 0 CGADHM CCc1csc(NC(=O)c2cn[n-]c2-c2ccccc2)n1 ZINC000355748499 380768632 /nfs/dbraw/zinc/76/86/32/380768632.db2.gz KDJNONIUIQTEOT-UHFFFAOYSA-N -1 3 298.371 3.348 20 0 CGADHM [O-]c1cccc(CN2CCC[C@H]2C2CC2)c1Cl ZINC000646074097 380821933 /nfs/dbraw/zinc/82/19/33/380821933.db2.gz VYBHAROSHYLAMO-LBPRGKRZSA-N -1 3 251.757 3.420 20 0 CGADHM C[C@@H](C1CCC1)N(C)C(=O)Cc1ccc([O-])cc1Cl ZINC000356886824 380920646 /nfs/dbraw/zinc/92/06/46/380920646.db2.gz YTQRETOSDAGNNT-JTQLQIEISA-N -1 3 281.783 3.235 20 0 CGADHM O=C(Cc1ccoc1)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000357138137 381042571 /nfs/dbraw/zinc/04/25/71/381042571.db2.gz DFXRHSIOXXQDFB-UHFFFAOYSA-N -1 3 285.221 3.185 20 0 CGADHM Cc1[nH]c2ccc(CNC(=O)c3cccc([O-])c3)cc2c1C ZINC000357369551 381129400 /nfs/dbraw/zinc/12/94/00/381129400.db2.gz TUVDTBVPQQEJAI-UHFFFAOYSA-N -1 3 294.354 3.420 20 0 CGADHM O=C(Cc1ccc([O-])cc1Cl)NCCCC(F)(F)F ZINC000357378509 381135917 /nfs/dbraw/zinc/13/59/17/381135917.db2.gz SRPXDNCUFCQOMT-UHFFFAOYSA-N -1 3 295.688 3.047 20 0 CGADHM CC(C)COCCCN=c1[n-]cc(C(F)(F)F)s1 ZINC000357692846 381254488 /nfs/dbraw/zinc/25/44/88/381254488.db2.gz SQGCHXWBBRBOLC-UHFFFAOYSA-N -1 3 282.331 3.058 20 0 CGADHM CCN(C(=O)c1c[n-]c2ccccc2c1=O)C1CC(C)(C)C1 ZINC000334815280 207122819 /nfs/dbraw/zinc/12/28/19/207122819.db2.gz SLHRWNUTBHWHRT-UHFFFAOYSA-N -1 3 298.386 3.179 20 0 CGADHM Cc1ccc([O-])c(C(=O)N(C)Cc2ccccc2N(C)C)c1 ZINC000288943500 197198391 /nfs/dbraw/zinc/19/83/91/197198391.db2.gz NYCGHQWXNZXNPS-UHFFFAOYSA-N -1 3 298.386 3.039 20 0 CGADHM CCc1cc(=O)[n-]c(CN[C@H]2CCCCC23CCCC3)n1 ZINC000361596201 381827652 /nfs/dbraw/zinc/82/76/52/381827652.db2.gz RHEYKTCUYVTLCR-AWEZNQCLSA-N -1 3 289.423 3.337 20 0 CGADHM Cc1ccc([O-])c(NC(=O)[C@H](C)CC(C)(C)C)n1 ZINC000361613394 381840817 /nfs/dbraw/zinc/84/08/17/381840817.db2.gz XQUPLJBOBZUYPS-SECBINFHSA-N -1 3 250.342 3.106 20 0 CGADHM CCc1cc(C(=O)Nc2n[nH]c3ccc(F)cc32)ccc1[O-] ZINC000362743714 382111777 /nfs/dbraw/zinc/11/17/77/382111777.db2.gz BCRWTYUUXJDKFO-UHFFFAOYSA-N -1 3 299.305 3.222 20 0 CGADHM CCc1ccccc1NC([O-])=NOC/C=C/Cl ZINC000289467096 197360557 /nfs/dbraw/zinc/36/05/57/197360557.db2.gz IRKQQFQAZYOJLL-VMPITWQZSA-N -1 3 254.717 3.055 20 0 CGADHM CCc1ccccc1NC(=O)[N-]OC/C=C/Cl ZINC000289467096 197360558 /nfs/dbraw/zinc/36/05/58/197360558.db2.gz IRKQQFQAZYOJLL-VMPITWQZSA-N -1 3 254.717 3.055 20 0 CGADHM CCN(C[C@@H]1CCCO1)C(=O)c1cc([O-])c2ccccc2c1 ZINC000279555834 542379080 /nfs/dbraw/zinc/37/90/80/542379080.db2.gz OKMHBHCNNLRYLP-HNNXBMFYSA-N -1 3 299.370 3.187 20 0 CGADHM Cc1cc(C(=O)N[C@H]2CCc3cc(F)ccc32)ccc1[O-] ZINC000353888886 220391253 /nfs/dbraw/zinc/39/12/53/220391253.db2.gz SDTVVDLJWGFZRR-HNNXBMFYSA-N -1 3 285.318 3.257 20 0 CGADHM O=C(CCc1ccc2ccccc2c1[O-])NCCC1CC1 ZINC000294812202 542405397 /nfs/dbraw/zinc/40/53/97/542405397.db2.gz CRNFPZFXUUPDKB-UHFFFAOYSA-N -1 3 283.371 3.394 20 0 CGADHM Cc1ccc(CN2CC[C@@H](C)C[C@H]2C(=O)[O-])c(Cl)c1 ZINC000300249084 542411843 /nfs/dbraw/zinc/41/18/43/542411843.db2.gz ZLHUKAKIAJAHGG-RISCZKNCSA-N -1 3 281.783 3.334 20 0 CGADHM CCC[C@H](CNC(=O)c1cc([O-])c2ccccc2c1)OC ZINC000295549211 542406623 /nfs/dbraw/zinc/40/66/23/542406623.db2.gz YMFFSIITWQQFQV-CQSZACIVSA-N -1 3 287.359 3.090 20 0 CGADHM O=C(c1cc([O-])c2ccccc2c1)N1CCC(CF)CC1 ZINC000295833595 542407358 /nfs/dbraw/zinc/40/73/58/542407358.db2.gz VCYNFQMENZDBRO-UHFFFAOYSA-N -1 3 287.334 3.367 20 0 CGADHM O=C(Nc1ccccc1[O-])[C@@H]1CC[C@@H](C(F)(F)F)C1 ZINC000334359215 542456182 /nfs/dbraw/zinc/45/61/82/542456182.db2.gz VOQQISXQXIWDAX-RKDXNWHRSA-N -1 3 273.254 3.309 20 0 CGADHM CO[C@@H]1CCC[C@@H]1CNC(=O)c1cc([O-])c2ccccc2c1 ZINC000355448310 542567222 /nfs/dbraw/zinc/56/72/22/542567222.db2.gz BYAZREMPCHTTFJ-CXAGYDPISA-N -1 3 299.370 3.090 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)SCCC(=O)OC(C)(C)C)n1 ZINC000281533118 195277936 /nfs/dbraw/zinc/27/79/36/195277936.db2.gz AMCUFZUXABIKOG-SNVBAGLBSA-N -1 3 298.408 3.017 20 0 CGADHM COc1ccc(C)cc1Cc1nc(-c2ccc([O-])cc2)no1 ZINC000436770370 533391193 /nfs/dbraw/zinc/39/11/93/533391193.db2.gz QTLGXUXPIFJGFN-UHFFFAOYSA-N -1 3 296.326 3.350 20 0 CGADHM COc1cccc(C(=O)N[C@H]2CCc3cc(C)ccc32)c1[O-] ZINC000436677493 533418632 /nfs/dbraw/zinc/41/86/32/533418632.db2.gz CVYGZIUKKUSXRM-HNNXBMFYSA-N -1 3 297.354 3.127 20 0 CGADHM C[C@@H](CC(C)(C)NCc1csc(C(C)(C)C)n1)C(=O)[O-] ZINC000417638225 533469774 /nfs/dbraw/zinc/46/97/74/533469774.db2.gz OPSUPZMERYBTDJ-JTQLQIEISA-N -1 3 298.452 3.420 20 0 CGADHM C[C@@H](CC1CC1)NC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436973379 533504013 /nfs/dbraw/zinc/50/40/13/533504013.db2.gz SEOPRLAZSJYMRZ-NSHDSACASA-N -1 3 273.376 3.189 20 0 CGADHM Cc1ccc(C(=O)N[C@H](C)CCc2ccc(O)cc2)c([O-])c1 ZINC000436608663 533588608 /nfs/dbraw/zinc/58/86/08/533588608.db2.gz VFUYEYMVEDHYJC-CYBMUJFWSA-N -1 3 299.370 3.157 20 0 CGADHM COc1cccc(Cl)c1CN1CCC[C@@H](C)[C@H]1C(=O)[O-] ZINC000424269354 533557538 /nfs/dbraw/zinc/55/75/38/533557538.db2.gz MHGRAZSRCVSDMA-YGRLFVJLSA-N -1 3 297.782 3.034 20 0 CGADHM Cc1ccc(C(=O)N[C@H]2C[C@H]2Cc2ccccc2)c([O-])c1 ZINC000436937446 533601414 /nfs/dbraw/zinc/60/14/14/533601414.db2.gz INJRTDWOKNDWGL-ZBFHGGJFSA-N -1 3 281.355 3.062 20 0 CGADHM CC(=O)CC(C)(C)CC(=O)Nc1cc(Cl)ccc1[O-] ZINC000191930336 130331759 /nfs/dbraw/zinc/33/17/59/130331759.db2.gz CKANRXBXZWGDSS-UHFFFAOYSA-N -1 3 283.755 3.380 20 0 CGADHM Cc1ccc(NC(=O)c2ccc(C)c(C)c2[O-])c(O)c1 ZINC000048517817 392003259 /nfs/dbraw/zinc/00/32/59/392003259.db2.gz AQEVCHWSNFCJSJ-UHFFFAOYSA-N -1 3 271.316 3.275 20 0 CGADHM Cc1ccc(F)c(S(=O)(=O)[N-][C@@H](C)CCC(C)C)c1 ZINC000032402288 391968327 /nfs/dbraw/zinc/96/83/27/391968327.db2.gz SHDZGSMLMIREAC-LBPRGKRZSA-N -1 3 287.400 3.237 20 0 CGADHM O=C([O-])[C@@H]1CC12CCN(Cc1ccccc1Cl)CC2 ZINC000049876336 392057980 /nfs/dbraw/zinc/05/79/80/392057980.db2.gz VPBHRJULVVXXIC-LBPRGKRZSA-N -1 3 279.767 3.027 20 0 CGADHM CC[C@@H]1CCC[C@H](NC(=O)c2ccc(OC)cc2[O-])C1 ZINC000068604213 392167074 /nfs/dbraw/zinc/16/70/74/392167074.db2.gz NPBWARYPXOTEKP-NEPJUHHUSA-N -1 3 277.364 3.099 20 0 CGADHM CCCO[C@@H]1CCCN(C(=O)c2cccc(C)c2[O-])CC1 ZINC000108230974 392338899 /nfs/dbraw/zinc/33/88/99/392338899.db2.gz KVPFODKMCVGUQZ-CQSZACIVSA-N -1 3 291.391 3.122 20 0 CGADHM COc1ccc(NC(=O)C2(c3ccccc3C)CC2)c([O-])c1 ZINC000443555565 542666438 /nfs/dbraw/zinc/66/64/38/542666438.db2.gz CHUSMYHISLUKJF-UHFFFAOYSA-N -1 3 297.354 3.380 20 0 CGADHM COc1ccc(NC(=O)Cc2cc(C)ccc2C)c([O-])c1 ZINC000443559245 542666535 /nfs/dbraw/zinc/66/65/35/542666535.db2.gz MLKPSCYSQOOOPQ-UHFFFAOYSA-N -1 3 285.343 3.199 20 0 CGADHM COc1ccc(NC(=O)[C@H]2C[C@@]2(C)C(C)C)c([O-])c1 ZINC000443561299 542666904 /nfs/dbraw/zinc/66/69/04/542666904.db2.gz RCONLBIBAJCPTQ-ABAIWWIYSA-N -1 3 263.337 3.022 20 0 CGADHM CC(C)Cc1ncc(CN2CCC(C)(C(=O)[O-])CC2)s1 ZINC000647464482 392729064 /nfs/dbraw/zinc/72/90/64/392729064.db2.gz UKQDBQJCWPAMOA-UHFFFAOYSA-N -1 3 296.436 3.028 20 0 CGADHM CC[C@@H](CC(F)F)C(=O)N1CCCc2cccc([O-])c21 ZINC000457684116 392731406 /nfs/dbraw/zinc/73/14/06/392731406.db2.gz HRCWZMGEFLLULD-JTQLQIEISA-N -1 3 283.318 3.353 20 0 CGADHM CC(C)c1ccc(OCCNC(=O)c2cccc([O-])c2)cc1 ZINC000182068706 392741149 /nfs/dbraw/zinc/74/11/49/392741149.db2.gz YCDLIOXCALLCDL-UHFFFAOYSA-N -1 3 299.370 3.324 20 0 CGADHM Cc1ccc(C(=O)N2CCc3c2cccc3F)c([O-])c1 ZINC000183779036 392758066 /nfs/dbraw/zinc/75/80/66/392758066.db2.gz OHFBLMXGYQQVMU-UHFFFAOYSA-N -1 3 271.291 3.043 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CCc3cc(F)ccc3C2)c1 ZINC000509941719 392777986 /nfs/dbraw/zinc/77/79/86/392777986.db2.gz HLUGCDAUFVFAQV-UHFFFAOYSA-N -1 3 299.345 3.292 20 0 CGADHM C[C@@H]1CCN(Cc2cc3cc(F)ccc3o2)C[C@H]1C(=O)[O-] ZINC000335443288 392793195 /nfs/dbraw/zinc/79/31/95/392793195.db2.gz MZPFNPMEGVMBEG-QMTHXVAHSA-N -1 3 291.322 3.115 20 0 CGADHM Cc1ccc(C(=O)N[C@@H](C)CCCc2cccnc2)c([O-])c1 ZINC000457922353 392799770 /nfs/dbraw/zinc/79/97/70/392799770.db2.gz GSYOJFBSXBELCM-AWEZNQCLSA-N -1 3 298.386 3.237 20 0 CGADHM Cc1cc(C(=O)N[C@H](C)CCCc2cccnc2)ccc1[O-] ZINC000457955718 392803662 /nfs/dbraw/zinc/80/36/62/392803662.db2.gz XYKXWKSBXIWVDS-CQSZACIVSA-N -1 3 298.386 3.237 20 0 CGADHM O=C(c1cc([O-])ccc1C(F)(F)F)N1C[C@H]2CCC[C@@H]2C1 ZINC000189497979 392805910 /nfs/dbraw/zinc/80/59/10/392805910.db2.gz JJIQHSDSMZAIPA-NXEZZACHSA-N -1 3 299.292 3.283 20 0 CGADHM Cc1ccc(C(=O)NCc2ccc3ncccc3c2)c([O-])c1 ZINC000193978271 392892705 /nfs/dbraw/zinc/89/27/05/392892705.db2.gz MTNWPDDNJWGVSN-UHFFFAOYSA-N -1 3 292.338 3.179 20 0 CGADHM CCc1ccc([C@@H](C)NC(=O)c2cccc([O-])c2)cc1 ZINC000192642867 392857292 /nfs/dbraw/zinc/85/72/92/392857292.db2.gz NXUONUKRNLATNC-GFCCVEGCSA-N -1 3 269.344 3.446 20 0 CGADHM Cc1ccc2c(c1)[C@@H](NC(=O)Cc1ccc([O-])c(F)c1)CC2 ZINC000648283219 392958092 /nfs/dbraw/zinc/95/80/92/392958092.db2.gz GUBWSSNIRHPNND-INIZCTEOSA-N -1 3 299.345 3.186 20 0 CGADHM COc1ccc(CCCNC(=O)c2cccc(C)c2[O-])cc1 ZINC000195559997 392971762 /nfs/dbraw/zinc/97/17/62/392971762.db2.gz IMCNWOLBKSJTBZ-UHFFFAOYSA-N -1 3 299.370 3.072 20 0 CGADHM Cc1ccccc1CNC(=O)c1cc([O-])ccc1Cl ZINC000235799115 393028757 /nfs/dbraw/zinc/02/87/57/393028757.db2.gz KHJXTIDPWBJYEH-UHFFFAOYSA-N -1 3 275.735 3.284 20 0 CGADHM Cc1ccc([O-])c(NC(=O)Cc2ccc3ccccc3c2)n1 ZINC000345924360 393072349 /nfs/dbraw/zinc/07/23/49/393072349.db2.gz IUDMDNYZJFZZRD-UHFFFAOYSA-N -1 3 292.338 3.430 20 0 CGADHM Cc1ccc(CCCC(=O)Nc2nc(C)ccc2[O-])cc1 ZINC000345924323 393072426 /nfs/dbraw/zinc/07/24/26/393072426.db2.gz IIKQRFHBBHINEQ-UHFFFAOYSA-N -1 3 284.359 3.365 20 0 CGADHM CC[C@@H]1CCN(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000469263212 393183887 /nfs/dbraw/zinc/18/38/87/393183887.db2.gz PXYBMSMGYAQXEI-GFCCVEGCSA-N -1 3 279.355 3.113 20 0 CGADHM CC[C@@H]1CCC[C@@H]1NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000268381724 393198136 /nfs/dbraw/zinc/19/81/36/393198136.db2.gz OCHJUBCARVOONU-YPMHNXCESA-N -1 3 284.359 3.249 20 0 CGADHM COc1cccc(C(=O)N2CCCC[C@H]2C2CCC2)c1[O-] ZINC000648705598 393214723 /nfs/dbraw/zinc/21/47/23/393214723.db2.gz LQYFIRGZVRHXLX-AWEZNQCLSA-N -1 3 289.375 3.196 20 0 CGADHM C[C@H]1CCN(C(=O)c2ccncc2F)c2c([O-])cccc21 ZINC000274404021 393284747 /nfs/dbraw/zinc/28/47/47/393284747.db2.gz SXNWZPKDONVLGD-JTQLQIEISA-N -1 3 286.306 3.080 20 0 CGADHM CN(C(=O)c1ccc(O)cc1[O-])[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000416291234 393294463 /nfs/dbraw/zinc/29/44/63/393294463.db2.gz NYHCGTHRFJFBKL-UONOGXRCSA-N -1 3 291.391 3.385 20 0 CGADHM CCc1cc(C(=O)N2C[C@H](C)[C@H](C)[C@@H]2C)ccc1[O-] ZINC000416318566 393298821 /nfs/dbraw/zinc/29/88/21/393298821.db2.gz GCSMXEGCELLVAN-SRVKXCTJSA-N -1 3 261.365 3.071 20 0 CGADHM C[C@H]1[C@@H](C)N(C(=O)CCCc2ccc([O-])c(F)c2)C[C@H]1C ZINC000416325603 393299698 /nfs/dbraw/zinc/29/96/98/393299698.db2.gz SXFHFSKKHRJWQT-JHJVBQTASA-N -1 3 293.382 3.357 20 0 CGADHM Cc1nc2ccccc2c(N(C)CCCC(=O)[O-])c1C ZINC000416421022 393311227 /nfs/dbraw/zinc/31/12/27/393311227.db2.gz ALAATGJYXOFFKK-UHFFFAOYSA-N -1 3 272.348 3.153 20 0 CGADHM CCc1ocnc1C(=O)[N-]c1c(OC)cccc1SC ZINC000416125456 393270038 /nfs/dbraw/zinc/27/00/38/393270038.db2.gz WDKDLJLEOAUKBA-UHFFFAOYSA-N -1 3 292.360 3.220 20 0 CGADHM Cc1[nH][n-]c(=O)c1NC(=O)c1cc(Cl)sc1Cl ZINC000646412806 393280251 /nfs/dbraw/zinc/28/02/51/393280251.db2.gz AUJUNBSYMVZEAQ-UHFFFAOYSA-N -1 3 292.147 3.044 20 0 CGADHM CC(=O)c1[n-]c(=N[C@@H](C)Cc2ccsc2)sc1C ZINC000649251490 393386071 /nfs/dbraw/zinc/38/60/71/393386071.db2.gz YRXJTXULSJNORK-QMMMGPOBSA-N -1 3 280.418 3.181 20 0 CGADHM CC1(C)CCC[C@@H]1[C@@H]1CCN(C(=O)c2csc(=O)[n-]2)C1 ZINC000649067937 393342277 /nfs/dbraw/zinc/34/22/77/393342277.db2.gz ZQPZOIXREQUZTM-GHMZBOCLSA-N -1 3 294.420 3.137 20 0 CGADHM CC1(C)CCC[C@H]1[C@H]1CCN(C(=O)c2csc(=O)[n-]2)C1 ZINC000649067940 393343273 /nfs/dbraw/zinc/34/32/73/393343273.db2.gz ZQPZOIXREQUZTM-QWRGUYRKSA-N -1 3 294.420 3.137 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@@]1(C)CCc2ccccc21 ZINC000649228266 393376310 /nfs/dbraw/zinc/37/63/10/393376310.db2.gz GOWRYAYOSKIZJY-SFHVURJKSA-N -1 3 297.402 3.106 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@H]1CCCCC1(F)F ZINC000649229296 393377947 /nfs/dbraw/zinc/37/79/47/393377947.db2.gz VUQSUQOQIYVTTD-SNVBAGLBSA-N -1 3 285.338 3.027 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)c1cccc(C)c1Cl ZINC000649230711 393379460 /nfs/dbraw/zinc/37/94/60/393379460.db2.gz UGBJTXPOPNLUDW-UHFFFAOYSA-N -1 3 291.782 3.478 20 0 CGADHM O=C([O-])c1ccc(CNCc2cccc3c2CCC3)cc1 ZINC000649505053 393460099 /nfs/dbraw/zinc/46/00/99/393460099.db2.gz SPAQSMYNNOUUGH-UHFFFAOYSA-N -1 3 281.355 3.163 20 0 CGADHM Cc1cc(F)c(CNC[C@H](CC2CC2)C(=O)[O-])c(Cl)c1 ZINC000649510797 393462994 /nfs/dbraw/zinc/46/29/94/393462994.db2.gz NHGJJCJWFPGMEA-NSHDSACASA-N -1 3 299.773 3.378 20 0 CGADHM COc1cc(C(=O)N(C)Cc2cc(C)ccc2C)ccc1[O-] ZINC000430204662 393539366 /nfs/dbraw/zinc/53/93/66/393539366.db2.gz SCSKGAYKXAHIQD-UHFFFAOYSA-N -1 3 299.370 3.290 20 0 CGADHM CC(C)[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cccs1 ZINC000488798622 393557174 /nfs/dbraw/zinc/55/71/74/393557174.db2.gz VIPPAPPPFMFLFX-VXGBXAGGSA-N -1 3 287.450 3.241 20 0 CGADHM CC[C@@H](CS(=O)(=O)[N-]c1cccc2ccccc21)OC ZINC000421140074 393592529 /nfs/dbraw/zinc/59/25/29/393592529.db2.gz MIUFRELWVLHNCL-ZDUSSCGKSA-N -1 3 293.388 3.007 20 0 CGADHM Cc1ccc([C@H](C)[C@@H](O)C(=O)Nc2c(C)cccc2[O-])cc1 ZINC000490698512 393652138 /nfs/dbraw/zinc/65/21/38/393652138.db2.gz XSBMXAQMTGTREY-SUMWQHHRSA-N -1 3 299.370 3.112 20 0 CGADHM O=C(Nc1ccc(Cl)cc1)c1cc(F)cc2[n-]nnc21 ZINC000433108321 393687910 /nfs/dbraw/zinc/68/79/10/393687910.db2.gz GEKHEGRFQWZULJ-UHFFFAOYSA-N -1 3 290.685 3.003 20 0 CGADHM O=C(Nc1ccc(Cl)cc1)c1cc(F)cc2nn[n-]c21 ZINC000433108321 393687913 /nfs/dbraw/zinc/68/79/13/393687913.db2.gz GEKHEGRFQWZULJ-UHFFFAOYSA-N -1 3 290.685 3.003 20 0 CGADHM O=C(Nc1ccc(Cl)cc1)c1cc(F)cc2n[n-]nc21 ZINC000433108321 393687915 /nfs/dbraw/zinc/68/79/15/393687915.db2.gz GEKHEGRFQWZULJ-UHFFFAOYSA-N -1 3 290.685 3.003 20 0 CGADHM C/C=C/C=C\C(=O)Nc1cc(Br)ccc1[O-] ZINC000492269043 393712400 /nfs/dbraw/zinc/71/24/00/393712400.db2.gz NTWIRBFKTWQCOG-IAROGAJJSA-N -1 3 282.137 3.226 20 0 CGADHM CC(C)C[C@H](C)[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000443746811 393771986 /nfs/dbraw/zinc/77/19/86/393771986.db2.gz LYOYXODMAZDQPR-VIFPVBQESA-N -1 3 293.791 3.192 20 0 CGADHM Cc1ccc([O-])c(CN2CC3(CCCC3)OC(C)(C)C2)n1 ZINC000443779678 393772151 /nfs/dbraw/zinc/77/21/51/393772151.db2.gz JKKNMSIORIOYGH-UHFFFAOYSA-N -1 3 290.407 3.019 20 0 CGADHM O=C([N-]c1cccc(F)c1F)c1onc2c1CCCC2 ZINC000667359950 542863206 /nfs/dbraw/zinc/86/32/06/542863206.db2.gz SWOYAPAFEPCJAS-UHFFFAOYSA-N -1 3 278.258 3.084 20 0 CGADHM C[C@@H](c1ccccc1)N(C(=O)Cc1cncc([O-])c1)C1CC1 ZINC000667453224 542870553 /nfs/dbraw/zinc/87/05/53/542870553.db2.gz DYZXSSFNHJJNQX-ZDUSSCGKSA-N -1 3 296.370 3.082 20 0 CGADHM CC(=O)c1[n-]c(=NCc2ccc3[nH]c(C)cc3c2)sc1C ZINC000450533169 394011277 /nfs/dbraw/zinc/01/12/77/394011277.db2.gz AAJOBNXMEKJYNW-UHFFFAOYSA-N -1 3 299.399 3.478 20 0 CGADHM CCc1cc(C(=O)NCC2=CCCCC2)ccc1[O-] ZINC000452704200 394103272 /nfs/dbraw/zinc/10/32/72/394103272.db2.gz FSHCNFVJASFLCF-UHFFFAOYSA-N -1 3 259.349 3.185 20 0 CGADHM CC(C)[C@H]1N(C(=O)c2cccc([O-])c2)CC12CCCC2 ZINC000457170575 394323990 /nfs/dbraw/zinc/32/39/90/394323990.db2.gz OTJCILHCTBLGJP-OAHLLOKOSA-N -1 3 273.376 3.433 20 0 CGADHM CC(C)(C(=O)Nc1cccc([O-])c1F)C1CCC(O)CC1 ZINC000667973710 542953051 /nfs/dbraw/zinc/95/30/51/542953051.db2.gz QCLHSYNTZDVDMB-UHFFFAOYSA-N -1 3 295.354 3.047 20 0 CGADHM O=C([N-]C1(C(F)(F)F)CC1)C1(C(F)(F)F)CCCC1 ZINC000668008373 542957495 /nfs/dbraw/zinc/95/74/95/542957495.db2.gz RMFHROYJDPQECQ-UHFFFAOYSA-N -1 3 289.219 3.320 20 0 CGADHM Cc1ccc(C(=O)N2CC[C@H]3CCC[C@@H]32)c([O-])c1C ZINC000336157036 292064074 /nfs/dbraw/zinc/06/40/74/292064074.db2.gz WTDDQKYWPXXOBY-OCCSQVGLSA-N -1 3 259.349 3.024 20 0 CGADHM Cc1cccc(C(=O)NCC(C)(C)C(F)(F)F)c1[O-] ZINC000669855027 543128333 /nfs/dbraw/zinc/12/83/33/543128333.db2.gz NMXMNCVZTFYPIU-UHFFFAOYSA-N -1 3 275.270 3.019 20 0 CGADHM CC(C)(C(=O)Nc1cc(Cl)ccc1[O-])c1ccccn1 ZINC000670419553 543153572 /nfs/dbraw/zinc/15/35/72/543153572.db2.gz IZHMOAKZRUHFFA-UHFFFAOYSA-N -1 3 290.750 3.357 20 0 CGADHM CSc1ccncc1[N-]C(=O)c1ccc(F)cc1F ZINC000674256108 543277749 /nfs/dbraw/zinc/27/77/49/543277749.db2.gz KABZACCWQUVEMH-UHFFFAOYSA-N -1 3 280.299 3.334 20 0 CGADHM C[C@H](C(=O)[O-])C1(NCc2ccc(Cl)cc2Cl)CC1 ZINC000649508801 397715520 /nfs/dbraw/zinc/71/55/20/397715520.db2.gz GAXMKBVIMAFIKX-MRVPVSSYSA-N -1 3 288.174 3.336 20 0 CGADHM CCc1cc(=O)[n-]c(CN2CCc3ccccc3[C@@H]2CC)n1 ZINC000675183037 543319877 /nfs/dbraw/zinc/31/98/77/543319877.db2.gz NDVPMUVNTSHVLU-INIZCTEOSA-N -1 3 297.402 3.254 20 0 CGADHM Cc1cccc(C(=O)NCC(C)(C)[C@@H]2CCCCO2)c1[O-] ZINC000675220098 543322404 /nfs/dbraw/zinc/32/24/04/543322404.db2.gz BGYRXWFEDQDUOO-AWEZNQCLSA-N -1 3 291.391 3.026 20 0 CGADHM O=C(Nc1ccc(Cl)cc1[O-])C(C1CC1)C1CC1 ZINC000677212028 543440720 /nfs/dbraw/zinc/44/07/20/543440720.db2.gz HBCOGORSMXQNIF-UHFFFAOYSA-N -1 3 265.740 3.420 20 0 CGADHM O=C([N-]c1nc(-c2cccs2)cs1)c1cnco1 ZINC000677544446 543454450 /nfs/dbraw/zinc/45/44/50/543454450.db2.gz YRLYBMWAPZAKJO-UHFFFAOYSA-N -1 3 277.330 3.112 20 0 CGADHM O=C(Nc1cnoc1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000678307486 543513423 /nfs/dbraw/zinc/51/34/23/543513423.db2.gz HGKBXNYLKRGLPX-UHFFFAOYSA-N -1 3 294.310 3.223 20 0 CGADHM CCc1cccc(C(=O)N2[C@H](C)CCC[C@@H]2C)c1[O-] ZINC000678310788 543513481 /nfs/dbraw/zinc/51/34/81/543513481.db2.gz QGBAGKQOTFPVDK-TXEJJXNPSA-N -1 3 261.365 3.358 20 0 CGADHM CO[C@]1(C)C[C@@H](N(C)Cc2c(F)ccc([O-])c2F)C1(C)C ZINC000351767147 286164703 /nfs/dbraw/zinc/16/47/03/286164703.db2.gz UCLGNIDKNGKZIO-CZUORRHYSA-N -1 3 299.361 3.306 20 0 CGADHM CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccccc1F ZINC000037988237 286888655 /nfs/dbraw/zinc/88/86/55/286888655.db2.gz MWWFGNIHTUZTEC-DGCLKSJQSA-N -1 3 285.384 3.073 20 0 CGADHM CC[C@H]1CCCN(C(=O)c2cc(C)ccc2[O-])CC1 ZINC000079053549 287053555 /nfs/dbraw/zinc/05/35/55/287053555.db2.gz MAOSQPHXONNADQ-ZDUSSCGKSA-N -1 3 261.365 3.353 20 0 CGADHM CNc1snc(C)c1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000067139128 165036817 /nfs/dbraw/zinc/03/68/17/165036817.db2.gz NUMRLUDDXSVXSF-UHFFFAOYSA-N -1 3 297.767 3.105 20 0 CGADHM O=C(Nc1ncccc1[O-])c1cnc(-c2ccccc2)s1 ZINC000076340105 165108682 /nfs/dbraw/zinc/10/86/82/165108682.db2.gz HRQQGXFRGFGUMI-UHFFFAOYSA-N -1 3 297.339 3.163 20 0 CGADHM O=C(c1ccc([O-])cc1)C1CCN(Cc2ccccc2)CC1 ZINC000078657292 165134866 /nfs/dbraw/zinc/13/48/66/165134866.db2.gz BDRDZPOEBBUEMM-UHFFFAOYSA-N -1 3 295.382 3.487 20 0 CGADHM COc1ccc(F)cc1CN[C@@H](C)CCC[C@@H](C)C(=O)[O-] ZINC000087678206 165191245 /nfs/dbraw/zinc/19/12/45/165191245.db2.gz RGBUQNXLIOGKKH-NEPJUHHUSA-N -1 3 297.370 3.203 20 0 CGADHM CC(C)c1cc(C(=O)N(C)[C@H](C)CO)c([O-])c(C(C)C)c1 ZINC000093244878 165326916 /nfs/dbraw/zinc/32/69/16/165326916.db2.gz WYAFERGNFFIVNJ-GFCCVEGCSA-N -1 3 293.407 3.092 20 0 CGADHM Cc1cscc1C(=O)Nc1ccc([O-])cc1F ZINC000094248085 165345465 /nfs/dbraw/zinc/34/54/65/165345465.db2.gz DVJCONVZXSUEAR-UHFFFAOYSA-N -1 3 251.282 3.154 20 0 CGADHM Cc1nn(-c2ccccc2)cc1C(=O)Nc1ccccc1[O-] ZINC000102466495 165413229 /nfs/dbraw/zinc/41/32/29/165413229.db2.gz NJHZKOYVHXXLMX-UHFFFAOYSA-N -1 3 293.326 3.139 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CCCC[C@H]2c2ncc[nH]2)c1 ZINC000094071834 287121214 /nfs/dbraw/zinc/12/12/14/287121214.db2.gz FDFOSPMFBQBHMJ-AWEZNQCLSA-N -1 3 299.374 3.045 20 0 CGADHM CCN(C(=O)c1cccc([O-])c1)[C@@H](C)c1cccnc1 ZINC000182453878 165703294 /nfs/dbraw/zinc/70/32/94/165703294.db2.gz QNBZMIODFZCDLE-LBPRGKRZSA-N -1 3 270.332 3.011 20 0 CGADHM Cc1cccc(-c2nc(-c3ccc(O)cc3)no2)c1[O-] ZINC000111687287 287135884 /nfs/dbraw/zinc/13/58/84/287135884.db2.gz FVLDVAYQKSQBAK-UHFFFAOYSA-N -1 3 268.272 3.123 20 0 CGADHM Cc1cccc(Cc2noc(-c3ccccc3[O-])n2)c1 ZINC000111689306 287136535 /nfs/dbraw/zinc/13/65/35/287136535.db2.gz HSTJNMCHNKZRGH-UHFFFAOYSA-N -1 3 266.300 3.341 20 0 CGADHM CCN(CCc1ccccc1)C(=O)c1cc(OC)ccc1[O-] ZINC000124413377 287232879 /nfs/dbraw/zinc/23/28/79/287232879.db2.gz PKICLQJJRLMHIT-UHFFFAOYSA-N -1 3 299.370 3.106 20 0 CGADHM CN(Cc1cccc(Cl)c1)C(=O)c1ccccc1[O-] ZINC000023536824 171423284 /nfs/dbraw/zinc/42/32/84/171423284.db2.gz STUIIMIUDTVDEH-UHFFFAOYSA-N -1 3 275.735 3.318 20 0 CGADHM O=C(c1ccccc1[O-])N1CCC[C@H]2CCCC[C@H]21 ZINC000035219399 172059581 /nfs/dbraw/zinc/05/95/81/172059581.db2.gz QHSQBVFFRFGORM-TZMCWYRMSA-N -1 3 259.349 3.187 20 0 CGADHM Cc1ccc(C(=O)N2CCC[C@@H]3CCCC[C@@H]32)c([O-])c1 ZINC000035219410 172059794 /nfs/dbraw/zinc/05/97/94/172059794.db2.gz LRMYHDFGMRDLGQ-ZFWWWQNUSA-N -1 3 273.376 3.495 20 0 CGADHM CC(C)N[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000037183244 173015960 /nfs/dbraw/zinc/01/59/60/173015960.db2.gz URSWMAWENWFBKB-JTQLQIEISA-N -1 3 262.136 3.117 20 0 CGADHM [O-]c1ccc(CNCc2ccccc2F)cc1Cl ZINC000043476901 175054854 /nfs/dbraw/zinc/05/48/54/175054854.db2.gz YLLLPBNGGNIWOX-UHFFFAOYSA-N -1 3 265.715 3.475 20 0 CGADHM Cc1cccc([O-])c1NC(=O)c1cc(=O)[nH]c(C(C)C)c1 ZINC000183077699 292571461 /nfs/dbraw/zinc/57/14/61/292571461.db2.gz BQOBAOYNMBWJST-UHFFFAOYSA-N -1 3 286.331 3.177 20 0 CGADHM Cc1cccc([O-])c1NC(=O)[C@H](C)OCCc1ccccc1 ZINC000294902185 292571407 /nfs/dbraw/zinc/57/14/07/292571407.db2.gz IJLPMORZLIIAGZ-AWEZNQCLSA-N -1 3 299.370 3.287 20 0 CGADHM Cc1noc(C)c1[C@H](C)CC(=O)Nc1cccc([O-])c1F ZINC000128700183 287316517 /nfs/dbraw/zinc/31/65/17/287316517.db2.gz DOVDOGWESKPZAO-MRVPVSSYSA-N -1 3 292.310 3.268 20 0 CGADHM CCc1cccc(C(=O)N2CC(Cc3ccccc3)C2)c1[O-] ZINC000679348309 543624192 /nfs/dbraw/zinc/62/41/92/543624192.db2.gz KYUJQQTVIJSTKY-UHFFFAOYSA-N -1 3 295.382 3.269 20 0 CGADHM Cc1cc(C(=O)N2CCC[C@H]2c2ccc(O)cc2)ccc1[O-] ZINC000679410172 543636434 /nfs/dbraw/zinc/63/64/34/543636434.db2.gz RQXJTMGIMYYINB-INIZCTEOSA-N -1 3 297.354 3.384 20 0 CGADHM Cc1ccc([O-])c(CN2C[C@@H](C(F)(F)F)CC[C@@H]2C)n1 ZINC000679583730 543650005 /nfs/dbraw/zinc/65/00/05/543650005.db2.gz FYSYAFBGGHEVLO-QWRGUYRKSA-N -1 3 288.313 3.258 20 0 CGADHM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)Nc1nc(C)ccc1[O-] ZINC000680321151 543696827 /nfs/dbraw/zinc/69/68/27/543696827.db2.gz KNSAOCUEONYPCO-MNOVXSKESA-N -1 3 288.372 3.208 20 0 CGADHM Cc1cnc(-c2noc(-c3cc4ccsc4[n-]3)n2)nc1 ZINC000680761187 543732457 /nfs/dbraw/zinc/73/24/57/543732457.db2.gz PFBSHBLPDNTCBM-UHFFFAOYSA-N -1 3 283.316 3.045 20 0 CGADHM COc1ccc([O-])c(C(=O)Nc2ccc3ncccc3c2)c1 ZINC000130489399 287356903 /nfs/dbraw/zinc/35/69/03/287356903.db2.gz PDSDYKIEHXIFMS-UHFFFAOYSA-N -1 3 294.310 3.201 20 0 CGADHM C[C@H]1CCN(C(=O)[C@@H]2CC23CCC3)c2c([O-])cccc21 ZINC000681088950 543764225 /nfs/dbraw/zinc/76/42/25/543764225.db2.gz XFSYPGPWBWVROE-AAEUAGOBSA-N -1 3 271.360 3.423 20 0 CGADHM Cc1ccnc(N2CCC(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000682463888 543848165 /nfs/dbraw/zinc/84/81/65/543848165.db2.gz GPQMKJXRMCSAGF-UHFFFAOYSA-N -1 3 296.370 3.195 20 0 CGADHM CCc1ccc(C(=O)Nc2cc(CO)c(C)cc2C)c([O-])c1 ZINC000682579970 543853110 /nfs/dbraw/zinc/85/31/10/543853110.db2.gz DLXVSKCKNOUYFL-UHFFFAOYSA-N -1 3 299.370 3.316 20 0 CGADHM C=C/C(C)=C\CC(=O)N1CCCc2cccc([O-])c21 ZINC000683381471 543911666 /nfs/dbraw/zinc/91/16/66/543911666.db2.gz ZVWDSDIMBOAGBN-XFXZXTDPSA-N -1 3 257.333 3.194 20 0 CGADHM C=C/C(C)=C/CC(=O)N1CCCc2cccc([O-])c21 ZINC000683381470 543911984 /nfs/dbraw/zinc/91/19/84/543911984.db2.gz ZVWDSDIMBOAGBN-FMIVXFBMSA-N -1 3 257.333 3.194 20 0 CGADHM O=C([O-])CCN(Cc1ccc(Cl)cc1F)CC1CC1 ZINC000652467669 418971985 /nfs/dbraw/zinc/97/19/85/418971985.db2.gz HIHKOMOMVGHFAK-UHFFFAOYSA-N -1 3 285.746 3.166 20 0 CGADHM CC(C)c1nnc([N-][C@@H](c2ccccc2)[C@@H](O)C(C)C)o1 ZINC000664529611 418972921 /nfs/dbraw/zinc/97/29/21/418972921.db2.gz CLNVBTUPEZHHCR-KBPBESRZSA-N -1 3 289.379 3.363 20 0 CGADHM Cc1ccc(C(=O)N2C[C@H](C)CCC[C@H]2C)c([O-])c1 ZINC000150773311 287499000 /nfs/dbraw/zinc/49/90/00/287499000.db2.gz GLYBHCRDDHUEBA-CHWSQXEVSA-N -1 3 261.365 3.351 20 0 CGADHM C[C@@H]1CCC[C@H](C)N1Cc1ccc(F)cc1C(=O)[O-] ZINC000652366996 418958047 /nfs/dbraw/zinc/95/80/47/418958047.db2.gz CAQWBIAVIWVUSF-PHIMTYICSA-N -1 3 265.328 3.287 20 0 CGADHM CCN(Cc1ccccc1C)Cc1ncccc1C(=O)[O-] ZINC000652389778 418960232 /nfs/dbraw/zinc/96/02/32/418960232.db2.gz FRZULAAOLIRZMJ-UHFFFAOYSA-N -1 3 284.359 3.110 20 0 CGADHM Cc1cc([C@@H](C)N2CCC(OC(C)C)CC2)oc1C(=O)[O-] ZINC000652399661 418961599 /nfs/dbraw/zinc/96/15/99/418961599.db2.gz YHSZALSEKOZHHZ-GFCCVEGCSA-N -1 3 295.379 3.237 20 0 CGADHM CCOc1cc(-c2noc(C3CC4(CC4)C3)n2)ccc1[O-] ZINC000664847067 419014378 /nfs/dbraw/zinc/01/43/78/419014378.db2.gz VBQYZPCIJOLHCQ-UHFFFAOYSA-N -1 3 286.331 3.499 20 0 CGADHM CC(C)(C)O[C@H]1C[C@H](NC(=O)c2cc([O-])ccc2Cl)C1 ZINC000655309132 419037804 /nfs/dbraw/zinc/03/78/04/419037804.db2.gz APLZGRQQESQXLJ-HOMQSWHASA-N -1 3 297.782 3.122 20 0 CGADHM O=C(Cc1cncc([O-])c1)Nc1ccc2c(c1)CCCCC2 ZINC000655407600 419048182 /nfs/dbraw/zinc/04/81/82/419048182.db2.gz XWMWGFRXRYHWFB-UHFFFAOYSA-N -1 3 296.370 3.237 20 0 CGADHM CC[C@H](c1ccc(F)cc1F)N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000652496807 418976901 /nfs/dbraw/zinc/97/69/01/418976901.db2.gz DYRIBSUYHGITAA-IXPVHAAZSA-N -1 3 297.345 3.459 20 0 CGADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCC12CCCC2 ZINC000652569573 418981885 /nfs/dbraw/zinc/98/18/85/418981885.db2.gz XBYHWAWOKSRRJJ-UHFFFAOYSA-N -1 3 291.366 3.399 20 0 CGADHM O=c1[n-]c([C@@H]2CCCN(CCC3CCCCCC3)C2)n[nH]1 ZINC000653677600 419070872 /nfs/dbraw/zinc/07/08/72/419070872.db2.gz YMQGTQOYTBQMKF-CQSZACIVSA-N -1 3 292.427 3.050 20 0 CGADHM Cc1csc([C@@H](C)C(=O)Nc2ccc(C)cc2[O-])n1 ZINC000665203763 419080245 /nfs/dbraw/zinc/08/02/45/419080245.db2.gz OXHGBTHTJHTXMG-JTQLQIEISA-N -1 3 276.361 3.208 20 0 CGADHM CC1(C)[C@H](CCC(=O)[O-])C[C@@H]1NCc1cc(F)cc(F)c1 ZINC000656568656 419184741 /nfs/dbraw/zinc/18/47/41/419184741.db2.gz LHXMUTLWWUADNE-RISCZKNCSA-N -1 3 297.345 3.334 20 0 CGADHM COc1cccc(CN2CC[C@H](C)C[C@@H]2C(=O)[O-])c1Cl ZINC000656756717 419209149 /nfs/dbraw/zinc/20/91/49/419209149.db2.gz NSLYWPXKOUGKLB-CMPLNLGQSA-N -1 3 297.782 3.034 20 0 CGADHM Cc1cccc2[nH]c(C[N-]c3nnc([C@@H]4CCCO4)o3)cc21 ZINC000656771571 419214590 /nfs/dbraw/zinc/21/45/90/419214590.db2.gz ICGXRUNEOHZGQG-AWEZNQCLSA-N -1 3 298.346 3.323 20 0 CGADHM CC[C@@H](C(=O)[O-])N(C)Cc1ccc(C(C)(C)C)s1 ZINC000166285295 572838906 /nfs/dbraw/zinc/83/89/06/572838906.db2.gz NVQBKVWJYPXNQL-NSHDSACASA-N -1 3 269.410 3.341 20 0 CGADHM CC(C)(C)CN(CC(=O)[O-])Cc1ccc(Cl)cc1F ZINC000662226399 419367619 /nfs/dbraw/zinc/36/76/19/419367619.db2.gz REZNXHKZJXQEIN-UHFFFAOYSA-N -1 3 287.762 3.412 20 0 CGADHM C[C@H](CC(C)(C)NCc1ccc(F)c(F)c1F)C(=O)[O-] ZINC000663264515 419535502 /nfs/dbraw/zinc/53/55/02/419535502.db2.gz VPZYZTSMHNYWBY-MRVPVSSYSA-N -1 3 289.297 3.083 20 0 CGADHM Cc1cc(C(=O)NCc2ccc(Cl)s2)ccc1[O-] ZINC000227017500 287636508 /nfs/dbraw/zinc/63/65/08/287636508.db2.gz KXYZWCJUONPINW-UHFFFAOYSA-N -1 3 281.764 3.346 20 0 CGADHM C[C@H](c1ccco1)N(C(=O)/C=C/c1cncc([O-])c1)C1CC1 ZINC000179449279 260048641 /nfs/dbraw/zinc/04/86/41/260048641.db2.gz MZOIKQDYHLDBCU-RPTYSRGTSA-N -1 3 298.342 3.146 20 0 CGADHM Cc1cc(-c2nc3ccc(F)cc3c(=O)[n-]2)cc(C)c1O ZINC000525714055 261201867 /nfs/dbraw/zinc/20/18/67/261201867.db2.gz YUUVWHXJRBBQES-UHFFFAOYSA-N -1 3 284.290 3.052 20 0 CGADHM [O-]c1ccc(-c2noc(Cc3ccccc3F)n2)cc1 ZINC000020432805 262250325 /nfs/dbraw/zinc/25/03/25/262250325.db2.gz KAQKCDRSEVQKRM-UHFFFAOYSA-N -1 3 270.263 3.172 20 0 CGADHM COc1ccc([O-])c(C(=O)N(CC2CCC2)C(C)C)c1 ZINC000277535177 263041831 /nfs/dbraw/zinc/04/18/31/263041831.db2.gz HVTZKQOPMDXFSO-UHFFFAOYSA-N -1 3 277.364 3.052 20 0 CGADHM CCC(=O)Nc1ccc(NC(=O)[N-]OC[C@H](C)CC)cc1 ZINC000291685899 263124881 /nfs/dbraw/zinc/12/48/81/263124881.db2.gz CVTYKKGTGCBDTP-LLVKDONJSA-N -1 3 293.367 3.134 20 0 CGADHM COc1ccc([O-])c(C(=O)N(C)CCC2CCCCC2)c1 ZINC000101680512 270044426 /nfs/dbraw/zinc/04/44/26/270044426.db2.gz BFNRWVYPNQTRQZ-UHFFFAOYSA-N -1 3 291.391 3.443 20 0 CGADHM COc1ccc([O-])c(C(=O)N2C[C@@H](C)Cc3ccccc32)c1 ZINC000105378545 270047382 /nfs/dbraw/zinc/04/73/82/270047382.db2.gz TYOACRLWYNKJKW-LBPRGKRZSA-N -1 3 297.354 3.240 20 0 CGADHM O=C(/C=C/c1cncc([O-])c1)Nc1ccc2ncsc2c1 ZINC000181884050 270054003 /nfs/dbraw/zinc/05/40/03/270054003.db2.gz ZLOGLZOGNIGMLO-DAFODLJHSA-N -1 3 297.339 3.049 20 0 CGADHM [O-]c1cc(F)cc(CNc2cccc(OCC(F)F)n2)c1 ZINC000185614336 270063575 /nfs/dbraw/zinc/06/35/75/270063575.db2.gz ARWUASMCUJGSRN-UHFFFAOYSA-N -1 3 298.264 3.182 20 0 CGADHM O=C(NCCC1=CCCCCC1)c1cccc([O-])c1 ZINC000185729242 270064054 /nfs/dbraw/zinc/06/40/54/270064054.db2.gz YPDQJIVMCIQZDH-UHFFFAOYSA-N -1 3 259.349 3.403 20 0 CGADHM CCC[C@@H](CC)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000519488918 265444148 /nfs/dbraw/zinc/44/41/48/265444148.db2.gz UCLJUNYZDUGDPK-MRVPVSSYSA-N -1 3 281.830 3.259 20 0 CGADHM C[C@@H]1CCN(C(=O)Cc2ccoc2)c2c([O-])cccc21 ZINC000187547536 270068835 /nfs/dbraw/zinc/06/88/35/270068835.db2.gz FQLOZJDSNSQMAG-LLVKDONJSA-N -1 3 271.316 3.068 20 0 CGADHM CC(C)c1cccc(NC(=O)c2c([O-])cccc2O)c1 ZINC000228854772 270088361 /nfs/dbraw/zinc/08/83/61/270088361.db2.gz YWIWHVRYMJJURQ-UHFFFAOYSA-N -1 3 271.316 3.474 20 0 CGADHM CC[C@H](Nc1ccccc1)C(=O)Nc1ccccc1[O-] ZINC000523224978 270108221 /nfs/dbraw/zinc/10/82/21/270108221.db2.gz IEPSORQOBRUSLF-ZDUSSCGKSA-N -1 3 270.332 3.221 20 0 CGADHM CO[C@@H]1CCC[C@H](CC(=O)Nc2cccc([O-])c2F)C1 ZINC000526009640 270122436 /nfs/dbraw/zinc/12/24/36/270122436.db2.gz VJYVCIANOHDYRP-WDEREUQCSA-N -1 3 281.327 3.065 20 0 CGADHM C[C@H]1C[C@H](CCNC(=O)c2csc(=O)[n-]2)CC(C)(C)C1 ZINC000527184068 270126426 /nfs/dbraw/zinc/12/64/26/270126426.db2.gz LQJKMDFVIHZQMP-QWRGUYRKSA-N -1 3 296.436 3.431 20 0 CGADHM C[C@@H]1[C@H](C(=O)Nc2cc(Cl)ccc2[O-])[C@H]1C1CC1 ZINC000528877505 270175140 /nfs/dbraw/zinc/17/51/40/270175140.db2.gz OZSOJKMZYZIXLL-YLJLNXRRSA-N -1 3 265.740 3.276 20 0 CGADHM Cc1cccc([O-])c1NC(=O)C[C@@H](C)c1ccco1 ZINC000528951734 270176237 /nfs/dbraw/zinc/17/62/37/270176237.db2.gz QVMSKJQHUJDNHP-LLVKDONJSA-N -1 3 259.305 3.426 20 0 CGADHM O=C([N-]OCC1CCC1)Nc1ccc2occc2c1 ZINC000529270300 270179169 /nfs/dbraw/zinc/17/91/69/270179169.db2.gz ASTUENHQCJSCTP-UHFFFAOYSA-N -1 3 260.293 3.286 20 0 CGADHM [O-]C(=NOC1CCCC1)Nc1ccc2occc2c1 ZINC000529280600 270179473 /nfs/dbraw/zinc/17/94/73/270179473.db2.gz JBRZDSDNLBDKRQ-UHFFFAOYSA-N -1 3 260.293 3.429 20 0 CGADHM O=C([N-]OC1CCCC1)Nc1ccc2occc2c1 ZINC000529280600 270179474 /nfs/dbraw/zinc/17/94/74/270179474.db2.gz JBRZDSDNLBDKRQ-UHFFFAOYSA-N -1 3 260.293 3.429 20 0 CGADHM CCC[C@H](C)C(=O)N=c1[nH][n-]c(C)c1-c1ccc(C)cc1 ZINC000530271573 270198195 /nfs/dbraw/zinc/19/81/95/270198195.db2.gz JGJUQPQRCBXEQW-LBPRGKRZSA-N -1 3 285.391 3.490 20 0 CGADHM O=C(Nc1ccccc1[O-])c1ccc(F)cc1OC(F)F ZINC000531396640 270206445 /nfs/dbraw/zinc/20/64/45/270206445.db2.gz NIBXBRWJRWEDER-UHFFFAOYSA-N -1 3 297.232 3.385 20 0 CGADHM C[C@H]1CC[C@H](C)N1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000123287376 274569391 /nfs/dbraw/zinc/56/93/91/274569391.db2.gz REOCJRLPFWQVJE-QWRGUYRKSA-N -1 3 297.358 3.042 20 0 CGADHM C[C@@H](c1ccco1)N(C(=O)/C=C\c1cncc([O-])c1)C1CC1 ZINC000255194828 287860382 /nfs/dbraw/zinc/86/03/82/287860382.db2.gz MZOIKQDYHLDBCU-KMSCOEIWSA-N -1 3 298.342 3.146 20 0 CGADHM CC1(C)CN(Cc2cccc([O-])c2Cl)[C@@H]1[C@H]1CCCO1 ZINC000293828704 278337414 /nfs/dbraw/zinc/33/74/14/278337414.db2.gz GKBFCUPXYUZMNS-UKRRQHHQSA-N -1 3 295.810 3.435 20 0 CGADHM CCc1cc(C(=O)N2CC(C(C)(C)C)C2)ccc1[O-] ZINC000457357420 288078725 /nfs/dbraw/zinc/07/87/25/288078725.db2.gz VSAATASZQLKTCA-UHFFFAOYSA-N -1 3 261.365 3.073 20 0 CGADHM C[C@H](C(=O)N1CC[C@@H](C)c2cccc([O-])c21)c1cccnc1 ZINC000186320824 279203106 /nfs/dbraw/zinc/20/31/06/279203106.db2.gz FGAYWTRUFJVNOM-OLZOCXBDSA-N -1 3 296.370 3.431 20 0 CGADHM CC[C@H](c1ccc(F)cc1F)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000422586976 288155326 /nfs/dbraw/zinc/15/53/26/288155326.db2.gz HBLOIOQNCNFNEL-JRPNMDOOSA-N -1 3 297.345 3.459 20 0 CGADHM CCS[C@H]1CCCCN(C(=O)c2ccccc2[O-])C1 ZINC000264793285 280055320 /nfs/dbraw/zinc/05/53/20/280055320.db2.gz BAVAQHYIJHDAFR-LBPRGKRZSA-N -1 3 279.405 3.140 20 0 CGADHM Cc1c[nH]cc1C(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000336585492 280279809 /nfs/dbraw/zinc/27/98/09/280279809.db2.gz VXSXHUYNXTVCOZ-SNVBAGLBSA-N -1 3 270.332 3.183 20 0 CGADHM CCC[C@H](OCC)C(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000529054703 288230766 /nfs/dbraw/zinc/23/07/66/288230766.db2.gz JAHVGOXHVQCYPC-WFASDCNBSA-N -1 3 291.391 3.438 20 0 CGADHM CC[C@H](C)[C@@H]1CCCCN1C(=O)c1ccc(OC)cc1[O-] ZINC000436534908 280769574 /nfs/dbraw/zinc/76/95/74/280769574.db2.gz JAVIWVFLOJYXDG-WFASDCNBSA-N -1 3 291.391 3.442 20 0 CGADHM Cc1ccc(NC(=O)[C@H]2CCC(=O)c3ccccc32)c([O-])c1 ZINC000334368427 280906759 /nfs/dbraw/zinc/90/67/59/280906759.db2.gz SKFXHYKZLBUHDC-AWEZNQCLSA-N -1 3 295.338 3.399 20 0 CGADHM CC[C@H]1CCCCN1C(=O)c1c[n-]c2ccc(C)cc2c1=O ZINC000478690382 281048471 /nfs/dbraw/zinc/04/84/71/281048471.db2.gz REUHNBXDRONVIH-ZDUSSCGKSA-N -1 3 298.386 3.241 20 0 CGADHM Cc1ccc2nc(-c3cc(C)cc(F)c3)[n-]c(=O)c2c1 ZINC000178995349 281148521 /nfs/dbraw/zinc/14/85/21/281148521.db2.gz DBTIJYOBSIFUBK-UHFFFAOYSA-N -1 3 268.291 3.346 20 0 CGADHM C[C@@H]1CC(C(=O)[O-])C[C@@H](C)N1Cc1ccc(F)cc1F ZINC000530180055 288296684 /nfs/dbraw/zinc/29/66/84/288296684.db2.gz QFSQOBMVMLMBEC-NXEZZACHSA-N -1 3 283.318 3.038 20 0 CGADHM C[C@H]1CC(C(=O)[O-])C[C@H](C)N1Cc1cc(F)cc(F)c1 ZINC000530180379 288296691 /nfs/dbraw/zinc/29/66/91/288296691.db2.gz YJUODQHEXXCOJA-UWVGGRQHSA-N -1 3 283.318 3.038 20 0 CGADHM CCCCOc1ccc(C(=O)N2C3CCC2CC3)c([O-])c1 ZINC000530564306 288310849 /nfs/dbraw/zinc/31/08/49/288310849.db2.gz WWWKUDJHRKMKML-UHFFFAOYSA-N -1 3 289.375 3.338 20 0 CGADHM CCc1c(C)nc2ccccc2c1N1CCC(C(=O)[O-])CC1 ZINC000263496130 281368502 /nfs/dbraw/zinc/36/85/02/281368502.db2.gz JTKWZBCGSKARHE-UHFFFAOYSA-N -1 3 298.386 3.407 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2cc3cc(F)ccc3o2)n1 ZINC000542461542 288753016 /nfs/dbraw/zinc/75/30/16/288753016.db2.gz GXHSJPNYBKDNCO-UHFFFAOYSA-N -1 3 286.262 3.233 20 0 CGADHM CCc1cccc(-c2nc(CCc3ccco3)no2)c1[O-] ZINC000547190174 288952125 /nfs/dbraw/zinc/95/21/25/288952125.db2.gz CAULBTSYTSPXBW-UHFFFAOYSA-N -1 3 284.315 3.383 20 0 CGADHM COc1cc(C)ccc1C(=O)Nc1cccc([O-])c1F ZINC000548376151 289001949 /nfs/dbraw/zinc/00/19/49/289001949.db2.gz XCODJCBLEXOCGJ-UHFFFAOYSA-N -1 3 275.279 3.101 20 0 CGADHM CCc1coc(NC(=O)c2cc([O-])c3ccccc3c2)n1 ZINC000551957365 289143255 /nfs/dbraw/zinc/14/32/55/289143255.db2.gz CRADDRZJBWKZCU-UHFFFAOYSA-N -1 3 282.299 3.348 20 0 CGADHM CC(=O)c1cccc(NC(=O)[C@H]2CCC[C@H](C)C2)c1[O-] ZINC000552285738 289178817 /nfs/dbraw/zinc/17/88/17/289178817.db2.gz AYJJHVYGWBGPOQ-JQWIXIFHSA-N -1 3 275.348 3.360 20 0 CGADHM CCc1ccsc1C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000552287258 289178932 /nfs/dbraw/zinc/17/89/32/289178932.db2.gz MSZROHRGXCTLPC-UHFFFAOYSA-N -1 3 289.356 3.471 20 0 CGADHM Cc1ccc(NC(=O)[C@H]2CCc3cccc(O)c32)c([O-])c1 ZINC000552881648 289201431 /nfs/dbraw/zinc/20/14/31/289201431.db2.gz HWNVVDOPGUJPIA-LBPRGKRZSA-N -1 3 283.327 3.075 20 0 CGADHM O=C(N=c1cc2ccccn2[n-]1)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000553320849 289219257 /nfs/dbraw/zinc/21/92/57/289219257.db2.gz UAIOSTZLLOQWQF-RBSFLKMASA-N -1 3 297.402 3.301 20 0 CGADHM O=C(CC[C@H]1CCCCO1)Nc1c([O-])cccc1Cl ZINC000557182352 289434419 /nfs/dbraw/zinc/43/44/19/289434419.db2.gz NVCFUSPUWFACBA-SNVBAGLBSA-N -1 3 283.755 3.333 20 0 CGADHM Cc1ccc(C(=O)N2CC(C)(C)[C@H]2c2cccnc2)c([O-])c1 ZINC000561010872 289622249 /nfs/dbraw/zinc/62/22/49/289622249.db2.gz NZYNFXSTWSHBEQ-MRXNPFEDSA-N -1 3 296.370 3.319 20 0 CGADHM C[C@H]([N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)C1CC1 ZINC000049358445 289986532 /nfs/dbraw/zinc/98/65/32/289986532.db2.gz BZLYMLLKKDXTGE-ZETCQYMHSA-N -1 3 294.203 3.070 20 0 CGADHM COc1cccc(Cl)c1CN1CCC[C@@H](C)[C@@H]1C(=O)[O-] ZINC000424269351 295302193 /nfs/dbraw/zinc/30/21/93/295302193.db2.gz MHGRAZSRCVSDMA-QMTHXVAHSA-N -1 3 297.782 3.034 20 0 CGADHM C[C@H]1CC[C@H](C(=O)[O-])CN1Cc1ccc(Cl)s1 ZINC000263528430 300054778 /nfs/dbraw/zinc/05/47/78/300054778.db2.gz VEVAJODIVSNPKO-IUCAKERBSA-N -1 3 273.785 3.087 20 0 CGADHM Cc1ccc(NC(=O)c2n[n-]nc2-c2ccccc2)cc1 ZINC000188824947 327760569 /nfs/dbraw/zinc/76/05/69/327760569.db2.gz UZFTVHJJCULVTC-UHFFFAOYSA-N -1 3 278.315 3.032 20 0 CGADHM Cc1oc(CN2CCCC[C@H]2C(C)C)cc1C(=O)[O-] ZINC000395878248 329301756 /nfs/dbraw/zinc/30/17/56/329301756.db2.gz HPHMKSCRYQMWFO-AWEZNQCLSA-N -1 3 265.353 3.297 20 0 CGADHM CCC[C@@H]1CCCN(C(=O)c2cc(C)ccc2[O-])C1 ZINC000155113308 321758118 /nfs/dbraw/zinc/75/81/18/321758118.db2.gz PKZNCHKPSZWLNN-CYBMUJFWSA-N -1 3 261.365 3.353 20 0 CGADHM CCc1ccc(N[C@@H](C)C(=O)[N-]c2cc(C)no2)cc1F ZINC000155345111 321762572 /nfs/dbraw/zinc/76/25/72/321762572.db2.gz CPVBIQWUYUQLKS-JTQLQIEISA-N -1 3 291.326 3.124 20 0 CGADHM O=C(NCCCC1CCCC1)NCc1ccc([O-])c(F)c1 ZINC000172545624 321943125 /nfs/dbraw/zinc/94/31/25/321943125.db2.gz BEJCVDRIOTVAPA-UHFFFAOYSA-N -1 3 294.370 3.301 20 0 CGADHM CN(C)c1ccccc1CN(C)Cc1cc([O-])cc(F)c1 ZINC000564324006 322027206 /nfs/dbraw/zinc/02/72/06/322027206.db2.gz RSGYHYAZCRRCKU-UHFFFAOYSA-N -1 3 288.366 3.229 20 0 CGADHM C[C@@H](NCc1csc(-c2cccs2)n1)[C@@H](C)C(=O)[O-] ZINC000565103304 322060607 /nfs/dbraw/zinc/06/06/07/322060607.db2.gz JPIGLTBECOQSGC-RKDXNWHRSA-N -1 3 296.417 3.070 20 0 CGADHM Cc1cc([C@H](C)N2CC(C)(C)C[C@H]2C)oc1C(=O)[O-] ZINC000565601559 322083476 /nfs/dbraw/zinc/08/34/76/322083476.db2.gz YTEWRKWSDHOYBH-MNOVXSKESA-N -1 3 265.353 3.468 20 0 CGADHM CC(C)C[C@@H](C(=O)[O-])N(C)Cc1ccc(F)cc1Cl ZINC000566358302 322118041 /nfs/dbraw/zinc/11/80/41/322118041.db2.gz GDCFHOYNSLQLMV-ZDUSSCGKSA-N -1 3 287.762 3.410 20 0 CGADHM Cc1ccc(CN(C)Cc2ccc(C(=O)[O-])o2)cc1C ZINC000568290453 322203645 /nfs/dbraw/zinc/20/36/45/322203645.db2.gz KAXULCSJGCXLBG-UHFFFAOYSA-N -1 3 273.332 3.227 20 0 CGADHM O=C([O-])c1ccoc1CN1CCC(c2ccsc2)CC1 ZINC000568874562 322226167 /nfs/dbraw/zinc/22/61/67/322226167.db2.gz XCKBRTMNXVCXKO-UHFFFAOYSA-N -1 3 291.372 3.419 20 0 CGADHM CCc1cc(C(=O)NCc2cccc(C)c2)ccc1[O-] ZINC000568979486 322230174 /nfs/dbraw/zinc/23/01/74/322230174.db2.gz IMKSWZXNXVTKBW-UHFFFAOYSA-N -1 3 269.344 3.193 20 0 CGADHM CCN(Cc1ccccc1Cl)Cc1ncccc1[O-] ZINC000569052498 322233162 /nfs/dbraw/zinc/23/31/62/322233162.db2.gz SXMOBXWKAFOQAP-UHFFFAOYSA-N -1 3 276.767 3.463 20 0 CGADHM CCc1cccc(C(=O)N2CCSC(C)(C)CC2)c1[O-] ZINC000569553393 322250162 /nfs/dbraw/zinc/25/01/62/322250162.db2.gz IIVRVLIMXPPNAS-UHFFFAOYSA-N -1 3 293.432 3.312 20 0 CGADHM COc1ccc(Cl)c(CN2C[C@@H](C(=O)[O-])CC[C@@H]2C)c1 ZINC000569814455 322257631 /nfs/dbraw/zinc/25/76/31/322257631.db2.gz XNZPNRMPHWOAMV-QWRGUYRKSA-N -1 3 297.782 3.034 20 0 CGADHM CCc1cccc(C(=O)N2CC(C)(C)[C@H]2C2CC2)c1[O-] ZINC000570461353 322274109 /nfs/dbraw/zinc/27/41/09/322274109.db2.gz YXZQRKFHDIHZHC-OAHLLOKOSA-N -1 3 273.376 3.215 20 0 CGADHM [O-]c1cccc(CNC2(CF)CCC2)c1Br ZINC000570514974 322275522 /nfs/dbraw/zinc/27/55/22/322275522.db2.gz XZBIKUKNCYGHGY-UHFFFAOYSA-N -1 3 288.160 3.137 20 0 CGADHM CC[C@@H]1CCCCN1Cc1csc(C(=O)[O-])c1 ZINC000570975621 322286957 /nfs/dbraw/zinc/28/69/57/322286957.db2.gz JAIIHCKXCOCTOK-LLVKDONJSA-N -1 3 253.367 3.211 20 0 CGADHM CCc1noc(C)c1[N-]C(=O)c1cnccc1C(F)(F)F ZINC000571104479 322289970 /nfs/dbraw/zinc/28/99/70/322289970.db2.gz PZWGYYHRVRMBOA-UHFFFAOYSA-N -1 3 299.252 3.212 20 0 CGADHM CCc1cc(C(=O)Nc2cc3c(cn2)CCC3)ccc1[O-] ZINC000572793649 322355372 /nfs/dbraw/zinc/35/53/72/322355372.db2.gz OYZATBXHMKIFBM-UHFFFAOYSA-N -1 3 282.343 3.091 20 0 CGADHM CCC[C@H](C(=O)[O-])N1CCC[C@@H]1c1cccs1 ZINC000572848269 322357878 /nfs/dbraw/zinc/35/78/78/322357878.db2.gz CILZKHGFESEPEC-GHMZBOCLSA-N -1 3 253.367 3.138 20 0 CGADHM CC(F)(F)CC(=O)Nc1ccc(Br)cc1[O-] ZINC000573542508 322393285 /nfs/dbraw/zinc/39/32/85/322393285.db2.gz LZVNOQCWPKQUHH-UHFFFAOYSA-N -1 3 294.095 3.139 20 0 CGADHM CCc1[n-][nH]c(=NC(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)c1C ZINC000573991362 322418035 /nfs/dbraw/zinc/41/80/35/322418035.db2.gz NGUIPSLBDOOTHG-MGPQQGTHSA-N -1 3 289.423 3.247 20 0 CGADHM CCc1cc(C(=O)N(CC)[C@@H](C)C(C)C)ccc1[O-] ZINC000574583438 322447946 /nfs/dbraw/zinc/44/79/46/322447946.db2.gz WHYGIRWZZOODLE-LBPRGKRZSA-N -1 3 263.381 3.461 20 0 CGADHM [O-]c1cccnc1CN[C@@H](CC(F)F)c1ccccc1 ZINC000575912555 322496023 /nfs/dbraw/zinc/49/60/23/322496023.db2.gz ADMFDDQNTBXFLF-LBPRGKRZSA-N -1 3 278.302 3.273 20 0 CGADHM CC[C@H]1C[C@H](C)CN1C(=O)c1cc([O-])ccc1Cl ZINC000399714227 326809431 /nfs/dbraw/zinc/80/94/31/326809431.db2.gz ZHULQBVPUQZCCE-UWVGGRQHSA-N -1 3 267.756 3.306 20 0 CGADHM CN(Cc1ccc(Cl)c(F)c1)CC1(CC(=O)[O-])CC1 ZINC000584118793 327043007 /nfs/dbraw/zinc/04/30/07/327043007.db2.gz LWCGFGFGBNYSJU-UHFFFAOYSA-N -1 3 285.746 3.166 20 0 CGADHM CCN(Cc1cccc(F)c1)[C@@H](C)c1nc(C)cc(=O)[n-]1 ZINC000584152725 327050891 /nfs/dbraw/zinc/05/08/91/327050891.db2.gz HHYPZGICBDENBN-LBPRGKRZSA-N -1 3 289.354 3.213 20 0 CGADHM CC[C@@H](C)N(C)Cc1cccc(C(=O)[O-])c1Cl ZINC000394497287 329124172 /nfs/dbraw/zinc/12/41/72/329124172.db2.gz ISRKSYFVSXLFEZ-SECBINFHSA-N -1 3 255.745 3.269 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)N2CC=C(C(C)(C)C)CC2)n1 ZINC000582885233 329285091 /nfs/dbraw/zinc/28/50/91/329285091.db2.gz BRPLHSPZUWIYTO-GFCCVEGCSA-N -1 3 275.396 3.230 20 0 CGADHM C[C@@H]1CCC(=Cc2nc(-c3ccc4n[n-]nc4c3)no2)C1 ZINC000583119071 329313855 /nfs/dbraw/zinc/31/38/55/329313855.db2.gz OBLAVKWVRQWSTG-YIXGCBLDSA-N -1 3 281.319 3.211 20 0 CGADHM CCOC[C@H]1CCCN([C@@H](C)c2cc(C(=O)[O-])c(C)o2)C1 ZINC000580440930 330135731 /nfs/dbraw/zinc/13/57/31/330135731.db2.gz WUHBQAVUAJRYDQ-AAEUAGOBSA-N -1 3 295.379 3.096 20 0 CGADHM C[C@@H](C(=O)Nc1cc(F)ccc1[O-])c1cccs1 ZINC000174872368 335168024 /nfs/dbraw/zinc/16/80/24/335168024.db2.gz NRFNBPQZADIBRZ-MRVPVSSYSA-N -1 3 265.309 3.335 20 0 CGADHM COc1ccc(Cl)cc1C(=O)Nc1cc(F)ccc1[O-] ZINC000174886335 335168574 /nfs/dbraw/zinc/16/85/74/335168574.db2.gz PEWVIOCHNPCZCX-UHFFFAOYSA-N -1 3 295.697 3.446 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])c1nccc2ccccc21 ZINC000174894539 335168783 /nfs/dbraw/zinc/16/87/83/335168783.db2.gz CWXQPIPUASYAPW-UHFFFAOYSA-N -1 3 282.274 3.332 20 0 CGADHM C[C@H](Cc1cccc(F)c1)C(=O)Nc1cc(F)ccc1[O-] ZINC000174894407 335168931 /nfs/dbraw/zinc/16/89/31/335168931.db2.gz RGEAHSMQXHSYQB-SNVBAGLBSA-N -1 3 291.297 3.488 20 0 CGADHM O=C(CCc1ccsc1)Nc1cc(F)ccc1[O-] ZINC000174904062 335169266 /nfs/dbraw/zinc/16/92/66/335169266.db2.gz UZJLFVQFXFSVQW-UHFFFAOYSA-N -1 3 265.309 3.164 20 0 CGADHM COCC1(CC(=O)Nc2cc(Cl)cc(C)c2[O-])CC1 ZINC000576521183 335214478 /nfs/dbraw/zinc/21/44/78/335214478.db2.gz VRCMPWIXEQHZRT-UHFFFAOYSA-N -1 3 283.755 3.109 20 0 CGADHM CC1CCN([C@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC000576523977 335214619 /nfs/dbraw/zinc/21/46/19/335214619.db2.gz UHEOTIHDFBJGJZ-ZDUSSCGKSA-N -1 3 267.756 3.198 20 0 CGADHM CSc1ccccc1CN1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000576880440 335259805 /nfs/dbraw/zinc/25/98/05/335259805.db2.gz PHCRPPPGUDIURP-CYBMUJFWSA-N -1 3 291.416 3.095 20 0 CGADHM CCc1ccc(CC(=O)Nc2cc(F)ccc2[O-])cc1 ZINC000178326252 335426292 /nfs/dbraw/zinc/42/62/92/335426292.db2.gz FQZXBMSILCNDRU-UHFFFAOYSA-N -1 3 273.307 3.275 20 0 CGADHM [O-]c1cc2ccccc2cc1-c1nc(-c2cocn2)no1 ZINC000350872007 335542184 /nfs/dbraw/zinc/54/21/84/335542184.db2.gz IWEODHOOQNXJCS-UHFFFAOYSA-N -1 3 279.255 3.250 20 0 CGADHM COc1cccc(-c2nc(-c3cc(C)oc3C)no2)c1[O-] ZINC000351040741 335560537 /nfs/dbraw/zinc/56/05/37/335560537.db2.gz JDJDGEXVACUPBP-UHFFFAOYSA-N -1 3 286.287 3.328 20 0 CGADHM C[C@H](NCc1ncccc1[O-])c1nc(C(C)(C)C)cs1 ZINC000578579206 335650839 /nfs/dbraw/zinc/65/08/39/335650839.db2.gz MUWIFZHNOFBSPK-JTQLQIEISA-N -1 3 291.420 3.392 20 0 CGADHM Cc1nn(C(C)(C)C)cc1C(=O)Nc1c(C)cccc1[O-] ZINC000183876733 335911054 /nfs/dbraw/zinc/91/10/54/335911054.db2.gz POGAUFRGXZLQPX-UHFFFAOYSA-N -1 3 287.363 3.213 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)NC[C@@H]1CC2CCC1CC2 ZINC000581490696 336088881 /nfs/dbraw/zinc/08/88/81/336088881.db2.gz QOPMSXXLYPMPFQ-UBHUBRDASA-N -1 3 291.366 3.016 20 0 CGADHM C[C@H](c1ccccc1)N(C)Cc1ccc(C(=O)[O-])o1 ZINC000383857177 336118752 /nfs/dbraw/zinc/11/87/52/336118752.db2.gz RKJAECJDQKMMBZ-LLVKDONJSA-N -1 3 259.305 3.171 20 0 CGADHM CC(C)C1(C)CCN(Cc2ccc(C(=O)[O-])cn2)CC1 ZINC000581949177 336175088 /nfs/dbraw/zinc/17/50/88/336175088.db2.gz RDRPOJWQUMAXLA-UHFFFAOYSA-N -1 3 276.380 3.038 20 0 CGADHM O=C([O-])c1occc1CN1CCC(Cc2ccccc2)CC1 ZINC000387040594 336184091 /nfs/dbraw/zinc/18/40/91/336184091.db2.gz LRQFQYIFIBHDLR-UHFFFAOYSA-N -1 3 299.370 3.433 20 0 CGADHM COc1ccc(F)c(NC(=O)c2ccc(C)c(C)c2[O-])c1 ZINC000436585889 533916427 /nfs/dbraw/zinc/91/64/27/533916427.db2.gz KQARGKWBYBOHPU-UHFFFAOYSA-N -1 3 289.306 3.409 20 0 CGADHM Cc1ccc([O-])c(CN(Cc2ccc(F)cc2)C2CC2)n1 ZINC000155234743 534192729 /nfs/dbraw/zinc/19/27/29/534192729.db2.gz CNTSLTPWBYZGIA-UHFFFAOYSA-N -1 3 286.350 3.399 20 0 CGADHM C[C@@H]1CC[C@H](NC(=O)Cc2ccc([O-])c(F)c2)[C@H](C)C1 ZINC000448979414 534250372 /nfs/dbraw/zinc/25/03/72/534250372.db2.gz IDCWIPFBDREDAS-GYSYKLTISA-N -1 3 279.355 3.015 20 0 CGADHM Cc1ccc(C(=O)N(C)[C@H]2CCC(C)(C)C2)c([O-])c1 ZINC000436920639 534260147 /nfs/dbraw/zinc/26/01/47/534260147.db2.gz HUQXTMWJWVNKJY-LBPRGKRZSA-N -1 3 261.365 3.351 20 0 CGADHM Cc1ccc(C(=O)NC[C@@H](C)CC(F)(F)F)c([O-])c1C ZINC000412656219 534266462 /nfs/dbraw/zinc/26/64/62/534266462.db2.gz MOVWFHMIDGQTEH-QMMMGPOBSA-N -1 3 289.297 3.327 20 0 CGADHM O=C(Nc1ccccc1[O-])[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000175085563 534399366 /nfs/dbraw/zinc/39/93/66/534399366.db2.gz HRNLKSMZJBSTBA-PWSUYJOCSA-N -1 3 289.281 3.413 20 0 CGADHM Cc1cccc(C(=O)Nc2cccc(OCCF)c2)c1[O-] ZINC000436582654 534626873 /nfs/dbraw/zinc/62/68/73/534626873.db2.gz IVCXDRJKHFHKET-UHFFFAOYSA-N -1 3 289.306 3.301 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)NC[C@@H]1CCC[C@@H]1C1CC1 ZINC000412479387 534700289 /nfs/dbraw/zinc/70/02/89/534700289.db2.gz RHYZOTCOLOAEBR-UONOGXRCSA-N -1 3 291.366 3.016 20 0 CGADHM COc1cccc(C(=O)N(C)CCC2CCCCC2)c1[O-] ZINC000101680532 525787482 /nfs/dbraw/zinc/78/74/82/525787482.db2.gz ZANYPKGPASZINC-UHFFFAOYSA-N -1 3 291.391 3.443 20 0 CGADHM C=Cc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1 ZINC000436479015 526279716 /nfs/dbraw/zinc/27/97/16/526279716.db2.gz PEDAJCLMLTYHEE-UHFFFAOYSA-N -1 3 289.356 3.139 20 0 CGADHM Cc1nnc([N-]C(=O)c2scnc2C2CCCC2)s1 ZINC000183728908 526368850 /nfs/dbraw/zinc/36/88/50/526368850.db2.gz WQSSJIDQTWRNNQ-UHFFFAOYSA-N -1 3 294.405 3.213 20 0 CGADHM CC(C)(C)c1nc(CN[C@H]2CCC[C@]2(C)C(=O)[O-])cs1 ZINC000426752556 526864579 /nfs/dbraw/zinc/86/45/79/526864579.db2.gz DAAULUIWLRBAMC-NHYWBVRUSA-N -1 3 296.436 3.174 20 0 CGADHM CC(C)C1CCC(NC(=O)c2c([O-])cccc2O)CC1 ZINC000436650030 527644970 /nfs/dbraw/zinc/64/49/70/527644970.db2.gz YDAROHFKSJZHRM-UHFFFAOYSA-N -1 3 277.364 3.042 20 0 CGADHM CC(C)[C@H]1CCC[C@@H](NC(=O)c2c([O-])cccc2O)C1 ZINC000436646088 527787705 /nfs/dbraw/zinc/78/77/05/527787705.db2.gz FFFZZODJMLFODQ-NWDGAFQWSA-N -1 3 277.364 3.042 20 0 CGADHM CCN=c1[n-]c(C(=O)N2CCCC[C@@H]2[C@H](C)CC)cs1 ZINC000357914312 527998046 /nfs/dbraw/zinc/99/80/46/527998046.db2.gz SJMZCROPVOFIJS-DGCLKSJQSA-N -1 3 295.452 3.038 20 0 CGADHM CC(C)c1ccc(C(=O)NCC2CCSCC2)c([O-])c1 ZINC000436545460 528067855 /nfs/dbraw/zinc/06/78/55/528067855.db2.gz BTIAENWUYSNYFO-UHFFFAOYSA-N -1 3 293.432 3.389 20 0 CGADHM CC(C)c1ccc(C(=O)NCC2(C(F)F)CC2)c([O-])c1 ZINC000436985684 528068153 /nfs/dbraw/zinc/06/81/53/528068153.db2.gz FLILPHFXHGHODQ-UHFFFAOYSA-N -1 3 283.318 3.291 20 0 CGADHM CCC(=O)c1ccc([O-])c(NC(=O)C(C)C(F)(F)F)c1 ZINC000436660080 528461028 /nfs/dbraw/zinc/46/10/28/528461028.db2.gz UGBLQUFEMKNAHQ-ZETCQYMHSA-N -1 3 289.253 3.122 20 0 CGADHM CC(C)n1nccc1NC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000436944272 528687093 /nfs/dbraw/zinc/68/70/93/528687093.db2.gz BHRCQTFKWMYIIB-UHFFFAOYSA-N -1 3 299.374 3.301 20 0 CGADHM CCCSC[C@H](NCc1ccsc1Cl)C(=O)[O-] ZINC000426764679 528831012 /nfs/dbraw/zinc/83/10/12/528831012.db2.gz AAIRRVIRUZLPEG-VIFPVBQESA-N -1 3 293.841 3.088 20 0 CGADHM CC(C)[C@H](C)N(C)C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000436952483 528958412 /nfs/dbraw/zinc/95/84/12/528958412.db2.gz WYVVTRLSLZHGHF-LBPRGKRZSA-N -1 3 275.392 3.388 20 0 CGADHM CCOCc1ccc(NC(=O)c2ccc([O-])c(C)c2)cc1 ZINC000436935488 529053123 /nfs/dbraw/zinc/05/31/23/529053123.db2.gz CJOLUKALFWMCNR-UHFFFAOYSA-N -1 3 285.343 3.489 20 0 CGADHM CC[C@@H](OC1CCCC1)C(=O)Nc1c(C)cccc1[O-] ZINC000413663367 529243096 /nfs/dbraw/zinc/24/30/96/529243096.db2.gz BTHMPAXYGUGPEA-CQSZACIVSA-N -1 3 277.364 3.377 20 0 CGADHM CC[C@H]1CC[C@H](C(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000437564990 529252605 /nfs/dbraw/zinc/25/26/05/529252605.db2.gz BKINIOVBLOHBJN-HAQNSBGRSA-N -1 3 299.378 3.022 20 0 CGADHM CC[C@H]1CC[C@H](C(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000437564990 529252606 /nfs/dbraw/zinc/25/26/06/529252606.db2.gz BKINIOVBLOHBJN-HAQNSBGRSA-N -1 3 299.378 3.022 20 0 CGADHM CC[C@H](C)n1ncc(NC(=O)c2ccc([O-])c(C)c2)c1C ZINC000436590908 529293926 /nfs/dbraw/zinc/29/39/26/529293926.db2.gz OQYFODNWXLSKNA-NSHDSACASA-N -1 3 287.363 3.429 20 0 CGADHM CC[C@@H](C)CN(C)C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436581189 529313309 /nfs/dbraw/zinc/31/33/09/529313309.db2.gz YYHIWMMBZNBSPB-GFCCVEGCSA-N -1 3 275.392 3.389 20 0 CGADHM CC(C)(C)c1ccc(NC(=O)/C=C/c2ccncn2)c([O-])c1 ZINC000492767361 535117040 /nfs/dbraw/zinc/11/70/40/535117040.db2.gz NDEDHPYIHXFHMF-FNORWQNLSA-N -1 3 297.358 3.132 20 0 CGADHM CC(C)=CCC[C@@H](C)NC(=O)/C=C\c1cncc([O-])c1 ZINC000493634977 535359438 /nfs/dbraw/zinc/35/94/38/535359438.db2.gz UKIYTLGSGPZYFY-MEJMFZKBSA-N -1 3 274.364 3.052 20 0 CGADHM CC[C@@H](CC(=O)Nc1nnc(-c2ccc(C)o2)[n-]1)C(C)C ZINC000479450722 535730976 /nfs/dbraw/zinc/73/09/76/535730976.db2.gz IYYFITZBNLDEOM-NSHDSACASA-N -1 3 290.367 3.384 20 0 CGADHM CC[C@@H](CC(=O)Nc1nc(-c2ccc(C)o2)n[n-]1)C(C)C ZINC000479450722 535730982 /nfs/dbraw/zinc/73/09/82/535730982.db2.gz IYYFITZBNLDEOM-NSHDSACASA-N -1 3 290.367 3.384 20 0 CGADHM CC[C@@H](CC(=O)Nc1n[n-]c(-c2ccc(C)o2)n1)C(C)C ZINC000479450722 535730989 /nfs/dbraw/zinc/73/09/89/535730989.db2.gz IYYFITZBNLDEOM-NSHDSACASA-N -1 3 290.367 3.384 20 0 CGADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C)cc1F)C(C)(C)C ZINC000518484189 535807102 /nfs/dbraw/zinc/80/71/02/535807102.db2.gz LDYMCQUZAUXGJV-CYBMUJFWSA-N -1 3 287.400 3.237 20 0 CGADHM COc1cc(C)cc(C(=O)Nc2cc(C)ccc2F)c1[O-] ZINC000086304761 536632956 /nfs/dbraw/zinc/63/29/56/536632956.db2.gz BVEXGEPULMIEQM-UHFFFAOYSA-N -1 3 289.306 3.409 20 0 CGADHM Cc1cccc(C2(C[N-]C(=O)C(F)(F)F)CCCC2)c1 ZINC000726982734 571697794 /nfs/dbraw/zinc/69/77/94/571697794.db2.gz AUDMUPXYIFHUOG-UHFFFAOYSA-N -1 3 285.309 3.485 20 0 CGADHM Fc1ccc2c(c1)[C@H](Nc1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000737667992 571743762 /nfs/dbraw/zinc/74/37/62/571743762.db2.gz UBJCFQXCNYEERL-OAHLLOKOSA-N -1 3 295.321 3.105 20 0 CGADHM Fc1ccc2c(c1)[C@H](Nc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000737667992 571743766 /nfs/dbraw/zinc/74/37/66/571743766.db2.gz UBJCFQXCNYEERL-OAHLLOKOSA-N -1 3 295.321 3.105 20 0 CGADHM C[C@H]1C[C@H](C)N1C(=O)c1cc([O-])c2ccccc2c1 ZINC000336344883 571802814 /nfs/dbraw/zinc/80/28/14/571802814.db2.gz ROFKTZVJNYPHAY-QWRGUYRKSA-N -1 3 255.317 3.168 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])[C@@H]1CC[C@@H](C(F)(F)F)C1 ZINC000336358785 571803415 /nfs/dbraw/zinc/80/34/15/571803415.db2.gz WZKBHQLUGGQDBF-HTQZYQBOSA-N -1 3 291.244 3.448 20 0 CGADHM CO[C@H]1CCC[C@H](OC(=O)c2cc3ccsc3[n-]2)C1 ZINC000729078261 571866462 /nfs/dbraw/zinc/86/64/62/571866462.db2.gz BRSNCCFJVFASMF-QWRGUYRKSA-N -1 3 279.361 3.344 20 0 CGADHM CC[C@@H](OC(=O)c1ccc([O-])cc1)C(=O)c1ccccc1 ZINC000738573303 571876050 /nfs/dbraw/zinc/87/60/50/571876050.db2.gz KEHCPQIWUZAQDF-OAHLLOKOSA-N -1 3 284.311 3.211 20 0 CGADHM O=C(OCc1cccnc1Cl)c1ccc(Cl)cc1[O-] ZINC000729695336 571929577 /nfs/dbraw/zinc/92/95/77/571929577.db2.gz FTTWOWWJJHUWTJ-UHFFFAOYSA-N -1 3 298.125 3.451 20 0 CGADHM Cc1cccc(C)c1CNc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737386888 572339443 /nfs/dbraw/zinc/33/94/43/572339443.db2.gz FDAUJFCMGAKMDR-UHFFFAOYSA-N -1 3 297.337 3.235 20 0 CGADHM Cc1cccc(C)c1CNc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737386888 572339444 /nfs/dbraw/zinc/33/94/44/572339444.db2.gz FDAUJFCMGAKMDR-UHFFFAOYSA-N -1 3 297.337 3.235 20 0 CGADHM Cc1ccccc1Sc1cccc(F)c1-c1nnn[n-]1 ZINC000737432231 572342995 /nfs/dbraw/zinc/34/29/95/572342995.db2.gz RVFNITYWYDWQDX-UHFFFAOYSA-N -1 3 286.335 3.465 20 0 CGADHM O=C([O-])[C@H](NCCOC1CCCCCC1)c1ccccc1 ZINC000738524815 572378671 /nfs/dbraw/zinc/37/86/71/572378671.db2.gz IDMPJPVEVOZSLP-MRXNPFEDSA-N -1 3 291.391 3.141 20 0 CGADHM C[C@@H](NC1CCC(NC(=O)[O-])CC1)c1cc(F)ccc1F ZINC000739031830 572411231 /nfs/dbraw/zinc/41/12/31/572411231.db2.gz FHNKLYKINSHSSJ-OIKLOGQESA-N -1 3 298.333 3.194 20 0 CGADHM O=C([O-])C1(NCc2ccc(Cl)cc2Cl)CCCC1 ZINC000739513038 572418611 /nfs/dbraw/zinc/41/86/11/572418611.db2.gz BICNQFCLZVFTDO-UHFFFAOYSA-N -1 3 288.174 3.480 20 0 CGADHM Cc1ccc(F)c(CN[C@@H](C)[C@H]2CCCN(C(=O)[O-])C2)c1 ZINC000740127543 572432817 /nfs/dbraw/zinc/43/28/17/572432817.db2.gz OQPXBSXTVAGOJJ-STQMWFEESA-N -1 3 294.370 3.002 20 0 CGADHM O=C([O-])c1ccc(CN2CC[C@H](c3cccc(F)c3)C2)o1 ZINC000740124602 572432960 /nfs/dbraw/zinc/43/29/60/572432960.db2.gz WWXYYSYWRYOEFX-LBPRGKRZSA-N -1 3 289.306 3.106 20 0 CGADHM Cc1ncsc1COC(=O)c1cc2ccsc2[n-]1 ZINC000732500902 572468654 /nfs/dbraw/zinc/46/86/54/572468654.db2.gz QLLRDYLTBBYFHU-UHFFFAOYSA-N -1 3 278.358 3.351 20 0 CGADHM C[C@H](C[N-]S(=O)(=O)c1ccc(Cl)s1)C(C)(C)C ZINC000734498779 572660924 /nfs/dbraw/zinc/66/09/24/572660924.db2.gz WQFCPKXLVUIYPY-MRVPVSSYSA-N -1 3 295.857 3.362 20 0 CGADHM Cc1ccc([O-])c(C(=O)NCc2c(C)cccc2F)c1 ZINC000743722801 572680976 /nfs/dbraw/zinc/68/09/76/572680976.db2.gz WKWJFIRNGFUQKL-UHFFFAOYSA-N -1 3 273.307 3.078 20 0 CGADHM CCC(CC)N(C(=O)c1nnc2ccccc2c1[O-])C1CC1 ZINC000735654384 572736521 /nfs/dbraw/zinc/73/65/21/572736521.db2.gz YRISVLWHZZCBHP-UHFFFAOYSA-N -1 3 299.374 3.129 20 0 CGADHM CC(C)C[C@H](C)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000735761679 572739785 /nfs/dbraw/zinc/73/97/85/572739785.db2.gz PNSVFDGZCFPSFQ-VIFPVBQESA-N -1 3 279.775 3.367 20 0 CGADHM CC(C)C[C@H](C)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000735761679 572739787 /nfs/dbraw/zinc/73/97/87/572739787.db2.gz PNSVFDGZCFPSFQ-VIFPVBQESA-N -1 3 279.775 3.367 20 0 CGADHM C[C@H]1CCC[C@@H](CC(=O)Nc2ccccc2-c2nnn[n-]2)C1 ZINC000736254060 572777301 /nfs/dbraw/zinc/77/73/01/572777301.db2.gz XPCLKUWXPVLADL-NWDGAFQWSA-N -1 3 299.378 3.022 20 0 CGADHM C[C@H]1CCC[C@@H](CC(=O)Nc2ccccc2-c2nn[n-]n2)C1 ZINC000736254060 572777304 /nfs/dbraw/zinc/77/73/04/572777304.db2.gz XPCLKUWXPVLADL-NWDGAFQWSA-N -1 3 299.378 3.022 20 0 CGADHM C[C@@H]1CCC[C@H](CC(=O)Nc2ccccc2-c2nnn[n-]2)C1 ZINC000736254057 572777384 /nfs/dbraw/zinc/77/73/84/572777384.db2.gz XPCLKUWXPVLADL-NEPJUHHUSA-N -1 3 299.378 3.022 20 0 CGADHM C[C@@H]1CCC[C@H](CC(=O)Nc2ccccc2-c2nn[n-]n2)C1 ZINC000736254057 572777387 /nfs/dbraw/zinc/77/73/87/572777387.db2.gz XPCLKUWXPVLADL-NEPJUHHUSA-N -1 3 299.378 3.022 20 0 CGADHM CC[C@H](Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C(C)C ZINC000736368659 572784639 /nfs/dbraw/zinc/78/46/39/572784639.db2.gz IBOGUWUQTYPSKS-LBPRGKRZSA-N -1 3 279.775 3.367 20 0 CGADHM CC[C@H](Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C(C)C ZINC000736368659 572784643 /nfs/dbraw/zinc/78/46/43/572784643.db2.gz IBOGUWUQTYPSKS-LBPRGKRZSA-N -1 3 279.775 3.367 20 0 CGADHM CC[C@H]1CCCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000736402581 572787854 /nfs/dbraw/zinc/78/78/54/572787854.db2.gz OHADVKHCQFTZBY-NSHDSACASA-N -1 3 289.358 3.022 20 0 CGADHM CC[C@H]1CCCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000736402581 572787855 /nfs/dbraw/zinc/78/78/55/572787855.db2.gz OHADVKHCQFTZBY-NSHDSACASA-N -1 3 289.358 3.022 20 0 CGADHM CCc1ccc(CSc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000736687288 572805550 /nfs/dbraw/zinc/80/55/50/572805550.db2.gz AKPPSFSQBNEPTD-UHFFFAOYSA-N -1 3 297.387 3.116 20 0 CGADHM CCc1ccc(CSc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000736687288 572805555 /nfs/dbraw/zinc/80/55/55/572805555.db2.gz AKPPSFSQBNEPTD-UHFFFAOYSA-N -1 3 297.387 3.116 20 0 CGADHM C[C@H](c1ccc(C(=O)[O-])o1)N(C)CCc1ccccc1F ZINC000736715387 572806275 /nfs/dbraw/zinc/80/62/75/572806275.db2.gz SASCJZFUCHZNER-LLVKDONJSA-N -1 3 291.322 3.352 20 0 CGADHM C[C@@H](CNC(=O)c1ccccc1[O-])c1nc2ccccc2o1 ZINC000746568637 572881134 /nfs/dbraw/zinc/88/11/34/572881134.db2.gz WIBLFNNBHIVVMY-NSHDSACASA-N -1 3 296.326 3.067 20 0 CGADHM COCCO[N-]C(=O)CC1CCC(c2ccccc2)CC1 ZINC000748772898 572983738 /nfs/dbraw/zinc/98/37/38/572983738.db2.gz SSFPLMQDNBCRJX-UHFFFAOYSA-N -1 3 291.391 3.045 20 0 CGADHM CCc1ccc([O-])c(C(=O)N[C@@H](C)COc2ccccc2)c1 ZINC000748838852 572986813 /nfs/dbraw/zinc/98/68/13/572986813.db2.gz OKMQNGRPPGGDFW-ZDUSSCGKSA-N -1 3 299.370 3.152 20 0 CGADHM C[C@H]1CC(C)(C)CC[C@H]1[N-]C(=O)C(F)(F)C(F)F ZINC000749417608 573001645 /nfs/dbraw/zinc/00/16/45/573001645.db2.gz GEBHWDJEWBEKMU-JGVFFNPUSA-N -1 3 269.282 3.218 20 0 CGADHM Cc1nc2ccccc2c(C)c1CC(=O)[N-]OCC(C)C ZINC000750006426 573072577 /nfs/dbraw/zinc/07/25/77/573072577.db2.gz OXHJNEWFCARNDG-UHFFFAOYSA-N -1 3 286.375 3.098 20 0 CGADHM CC[C@H](C)C[C@@H](C)Nc1cccc(F)c1-c1nnn[n-]1 ZINC000820870649 599067605 /nfs/dbraw/zinc/06/76/05/599067605.db2.gz WSJGBFGEISUQEG-VHSXEESVSA-N -1 3 277.347 3.242 20 0 CGADHM CC[C@H](C)C[C@@H](C)Nc1cccc(F)c1-c1nn[n-]n1 ZINC000820870649 599067608 /nfs/dbraw/zinc/06/76/08/599067608.db2.gz WSJGBFGEISUQEG-VHSXEESVSA-N -1 3 277.347 3.242 20 0 CGADHM Cc1nc(C)c([C@@H](C)NCc2ccc(C(=O)[O-])cc2)s1 ZINC000050920630 597243487 /nfs/dbraw/zinc/24/34/87/597243487.db2.gz IAJBDMLBCDETRZ-SECBINFHSA-N -1 3 290.388 3.309 20 0 CGADHM COc1cccc([C@H](C)NCc2cccc(C(=O)[O-])c2)c1 ZINC000235015927 598192184 /nfs/dbraw/zinc/19/21/84/598192184.db2.gz XMHLMVNEIXGLPT-LBPRGKRZSA-N -1 3 285.343 3.244 20 0 CGADHM COc1ccc2c(c1)[C@H](NCc1cccc(C(=O)[O-])c1)CC2 ZINC000820853369 598192607 /nfs/dbraw/zinc/19/26/07/598192607.db2.gz JZXFQBJDWVOPMZ-QGZVFWFLSA-N -1 3 297.354 3.171 20 0 CGADHM c1ccc(-c2nn[n-]n2)c(S[C@@H]2C=CCCC2)c1 ZINC000819718475 599343447 /nfs/dbraw/zinc/34/34/47/599343447.db2.gz IVYJLRNCVODGIJ-SNVBAGLBSA-N -1 3 258.350 3.068 20 0 CGADHM c1ccc(-c2nnn[n-]2)c(S[C@@H]2C=CCCC2)c1 ZINC000819718475 599343445 /nfs/dbraw/zinc/34/34/45/599343445.db2.gz IVYJLRNCVODGIJ-SNVBAGLBSA-N -1 3 258.350 3.068 20 0 CGADHM C[C@H](Sc1ccccc1-c1nnn[n-]1)c1cccnc1 ZINC000820555557 599347346 /nfs/dbraw/zinc/34/73/46/599347346.db2.gz MUDYJTHOEJZAEJ-JTQLQIEISA-N -1 3 283.360 3.115 20 0 CGADHM C[C@H](Sc1ccccc1-c1nn[n-]n1)c1cccnc1 ZINC000820555557 599347349 /nfs/dbraw/zinc/34/73/49/599347349.db2.gz MUDYJTHOEJZAEJ-JTQLQIEISA-N -1 3 283.360 3.115 20 0 CGADHM c1ccc(-c2nnn[n-]2)c(SC2CCCCC2)c1 ZINC000823771561 599388099 /nfs/dbraw/zinc/38/80/99/599388099.db2.gz AFBFVLWTIIGDHW-UHFFFAOYSA-N -1 3 260.366 3.292 20 0 CGADHM c1ccc(-c2nn[n-]n2)c(SC2CCCCC2)c1 ZINC000823771561 599388101 /nfs/dbraw/zinc/38/81/01/599388101.db2.gz AFBFVLWTIIGDHW-UHFFFAOYSA-N -1 3 260.366 3.292 20 0 CGADHM Clc1cccc(-c2nnn[n-]2)c1NC[C@H]1CC=CCC1 ZINC000822581743 599498865 /nfs/dbraw/zinc/49/88/65/599498865.db2.gz MWWLQKWDJYPSOV-JTQLQIEISA-N -1 3 289.770 3.288 20 0 CGADHM Clc1cccc(-c2nn[n-]n2)c1NC[C@H]1CC=CCC1 ZINC000822581743 599498868 /nfs/dbraw/zinc/49/88/68/599498868.db2.gz MWWLQKWDJYPSOV-JTQLQIEISA-N -1 3 289.770 3.288 20 0 CGADHM Cc1c(F)cccc1N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000822034382 599689645 /nfs/dbraw/zinc/68/96/45/599689645.db2.gz ASIIXWBMISJKLC-LLVKDONJSA-N -1 3 297.337 3.487 20 0 CGADHM Cc1c(F)cccc1N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000822034382 599689646 /nfs/dbraw/zinc/68/96/46/599689646.db2.gz ASIIXWBMISJKLC-LLVKDONJSA-N -1 3 297.337 3.487 20 0 CGADHM CC[C@H](Nc1cccc2c1CN(CCC(C)C)C2)C(=O)[O-] ZINC000736922772 599814958 /nfs/dbraw/zinc/81/49/58/599814958.db2.gz AERHPKLGTSCGBS-HNNXBMFYSA-N -1 3 290.407 3.323 20 0 CGADHM Cc1cccc([C@@H](C)NCc2cccc(OCC(=O)[O-])c2)c1 ZINC000832965829 600750476 /nfs/dbraw/zinc/75/04/76/600750476.db2.gz FZFCIPBIMAWBDZ-CQSZACIVSA-N -1 3 299.370 3.309 20 0 CGADHM C/C(=C/CN1CCS[C@H](C)[C@H]1c1ccccc1)C(=O)[O-] ZINC000825745598 601055277 /nfs/dbraw/zinc/05/52/77/601055277.db2.gz ANPRWXCITFQSLX-AHTUEQHWSA-N -1 3 291.416 3.196 20 0 CGADHM C/C(=C/CN(C)Cc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000825729687 601156966 /nfs/dbraw/zinc/15/69/66/601156966.db2.gz KLWQDUILFMQIJC-POHAHGRESA-N -1 3 287.281 3.168 20 0 CGADHM CC[C@@](C)(CC(=O)[O-])NCc1ncc(-c2ccccc2)o1 ZINC000828672288 601555145 /nfs/dbraw/zinc/55/51/45/601555145.db2.gz PQKYRETYXUJQDZ-INIZCTEOSA-N -1 3 288.347 3.075 20 0 CGADHM Clc1ccccc1NCc1ccc(-c2nnn[n-]2)s1 ZINC000826353244 607523459 /nfs/dbraw/zinc/52/34/59/607523459.db2.gz HKGMNVHNNQVHNI-UHFFFAOYSA-N -1 3 291.767 3.194 20 0 CGADHM CCC1CCC(NC/C(Cl)=C\Cl)(C(=O)[O-])CC1 ZINC000829107120 602049008 /nfs/dbraw/zinc/04/90/08/602049008.db2.gz HJPYNPCAJDUIMH-JXMROGBWSA-N -1 3 280.195 3.319 20 0 CGADHM CCCc1nc(CNC(CC)(CC)CC(=O)[O-])cs1 ZINC000829571933 602208871 /nfs/dbraw/zinc/20/88/71/602208871.db2.gz YNVNWOHZOILDPR-UHFFFAOYSA-N -1 3 284.425 3.219 20 0 CGADHM C[C@H](NCc1ccc(NC(=O)[O-])nc1)c1ccccc1 ZINC000825501060 603548831 /nfs/dbraw/zinc/54/88/31/603548831.db2.gz BGBNSKMIXXOSCR-NSHDSACASA-N -1 3 271.320 3.022 20 0 CGADHM C[C@@H]1Cc2ccccc2[C@@H]1NCc1ccc(NC(=O)[O-])nc1 ZINC000826093284 603551878 /nfs/dbraw/zinc/55/18/78/603551878.db2.gz BWFDZXSLEQGJER-BDJLRTHQSA-N -1 3 297.358 3.195 20 0 CGADHM C[C@H](N[C@H](C(=O)[O-])c1cccnc1)c1cccc(Cl)c1 ZINC000827717966 604985411 /nfs/dbraw/zinc/98/54/11/604985411.db2.gz NGVGWBHBOAKGSB-HZMBPMFUSA-N -1 3 290.750 3.212 20 0 CGADHM CCc1ccc([C@H](C)N[C@H](C(=O)[O-])c2cccnc2)cc1 ZINC000830238972 604986288 /nfs/dbraw/zinc/98/62/88/604986288.db2.gz VAJRBEXEYDFSTC-LRDDRELGSA-N -1 3 284.359 3.121 20 0 CGADHM Cc1ccc([C@H](C)N[C@@H](C(=O)[O-])c2cccnc2)cc1C ZINC000832920796 604997586 /nfs/dbraw/zinc/99/75/86/604997586.db2.gz HGLQGNCFXKFRJN-XJKSGUPXSA-N -1 3 284.359 3.175 20 0 CGADHM Cc1cc([C@H](C)N[C@H](C(=O)[O-])c2cccnc2)ccc1F ZINC000832873298 605007671 /nfs/dbraw/zinc/00/76/71/605007671.db2.gz FTYQNEYDSHZNOB-NHYWBVRUSA-N -1 3 288.322 3.006 20 0 CGADHM C/C(=C/CN[C@@H](C)c1ccccc1OC(C)C)C(=O)[O-] ZINC000833385375 605069453 /nfs/dbraw/zinc/06/94/53/605069453.db2.gz SGWQYKGXQXLYPQ-SUIFULHWSA-N -1 3 277.364 3.155 20 0 CGADHM CCc1ccc([C@H](C)NCc2ccc(C(=O)[O-])[nH]2)cc1 ZINC000833670144 605116131 /nfs/dbraw/zinc/11/61/31/605116131.db2.gz LMLWLUGFMVHLMG-NSHDSACASA-N -1 3 272.348 3.126 20 0 CGADHM CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2ccc(Cl)cn2)C1 ZINC000703858060 605381280 /nfs/dbraw/zinc/38/12/80/605381280.db2.gz KHYNSYNEHARONM-NSHDSACASA-N -1 3 296.798 3.058 20 0 CGADHM CN(Cc1ccc(NC(=O)[O-])nc1)[C@H]1CCc2ccccc21 ZINC000833874708 605466513 /nfs/dbraw/zinc/46/65/13/605466513.db2.gz WZWVHQNGRPVDJQ-HNNXBMFYSA-N -1 3 297.358 3.291 20 0 CGADHM O=C([O-])c1cc(CN2CCC[C@H]2/C=C/c2ccccc2)c[nH]1 ZINC000833780117 605731612 /nfs/dbraw/zinc/73/16/12/605731612.db2.gz QYNMPEJKWZWVCO-FDMDGMSGSA-N -1 3 296.370 3.391 20 0 CGADHM Cc1ccc([C@@H](C)Nc2ccc(-c3nnn[n-]3)nc2)c(C)c1 ZINC000822229245 606051299 /nfs/dbraw/zinc/05/12/99/606051299.db2.gz PWVFWMYDNUHSSE-GFCCVEGCSA-N -1 3 294.362 3.052 20 0 CGADHM Cc1ccc([C@@H](C)Nc2ccc(-c3nn[n-]n3)nc2)c(C)c1 ZINC000822229245 606051305 /nfs/dbraw/zinc/05/13/05/606051305.db2.gz PWVFWMYDNUHSSE-GFCCVEGCSA-N -1 3 294.362 3.052 20 0 CGADHM CCC[C@H](C)Sc1nc(C)cc(C)c1-c1nnn[n-]1 ZINC000821014274 606327624 /nfs/dbraw/zinc/32/76/24/606327624.db2.gz CXICLMXVOZFKAA-JTQLQIEISA-N -1 3 277.397 3.159 20 0 CGADHM CCC[C@H](C)Sc1nc(C)cc(C)c1-c1nn[n-]n1 ZINC000821014274 606327626 /nfs/dbraw/zinc/32/76/26/606327626.db2.gz CXICLMXVOZFKAA-JTQLQIEISA-N -1 3 277.397 3.159 20 0 CGADHM c1ccc(CCSc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000823780665 606328586 /nfs/dbraw/zinc/32/85/86/606328586.db2.gz UGDWNISNNAFSQY-UHFFFAOYSA-N -1 3 282.372 3.202 20 0 CGADHM c1ccc(CCSc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000823780665 606328588 /nfs/dbraw/zinc/32/85/88/606328588.db2.gz UGDWNISNNAFSQY-UHFFFAOYSA-N -1 3 282.372 3.202 20 0 CGADHM CC(C)[C@@H]1CCN(c2ccc(Cl)cc2-c2nnn[n-]2)C1 ZINC000820047274 606725807 /nfs/dbraw/zinc/72/58/07/606725807.db2.gz WYYIXBSDPGPGQP-SNVBAGLBSA-N -1 3 291.786 3.002 20 0 CGADHM CC(C)[C@@H]1CCN(c2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC000820047274 606725808 /nfs/dbraw/zinc/72/58/08/606725808.db2.gz WYYIXBSDPGPGQP-SNVBAGLBSA-N -1 3 291.786 3.002 20 0 CGADHM C[C@H](Sc1cccc(-c2nnn[n-]2)c1)c1ccncc1 ZINC000820555228 607011565 /nfs/dbraw/zinc/01/15/65/607011565.db2.gz HLHKVFZURIBBGB-JTQLQIEISA-N -1 3 283.360 3.115 20 0 CGADHM C[C@H](Sc1cccc(-c2nn[n-]n2)c1)c1ccncc1 ZINC000820555228 607011566 /nfs/dbraw/zinc/01/15/66/607011566.db2.gz HLHKVFZURIBBGB-JTQLQIEISA-N -1 3 283.360 3.115 20 0 CGADHM CCCC1(C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)CCC1 ZINC000821028493 607034637 /nfs/dbraw/zinc/03/46/37/607034637.db2.gz XOBRBQWDJHDSPL-UHFFFAOYSA-N -1 3 299.378 3.084 20 0 CGADHM CCCC1(C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)CCC1 ZINC000821028493 607034638 /nfs/dbraw/zinc/03/46/38/607034638.db2.gz XOBRBQWDJHDSPL-UHFFFAOYSA-N -1 3 299.378 3.084 20 0 CGADHM Cc1ccc(N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000826291669 609253832 /nfs/dbraw/zinc/25/38/32/609253832.db2.gz QGOUYIQVKUDONN-LLVKDONJSA-N -1 3 297.337 3.487 20 0 CGADHM Cc1ccc(N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000826291669 609253834 /nfs/dbraw/zinc/25/38/34/609253834.db2.gz QGOUYIQVKUDONN-LLVKDONJSA-N -1 3 297.337 3.487 20 0 CGADHM c1sc2ccccc2c1Nc1ncccc1-c1nnn[n-]1 ZINC000826525711 609437163 /nfs/dbraw/zinc/43/71/63/609437163.db2.gz WJYHYTFDXOXOKN-UHFFFAOYSA-N -1 3 294.343 3.220 20 0 CGADHM c1sc2ccccc2c1Nc1ncccc1-c1nn[n-]n1 ZINC000826525711 609437166 /nfs/dbraw/zinc/43/71/66/609437166.db2.gz WJYHYTFDXOXOKN-UHFFFAOYSA-N -1 3 294.343 3.220 20 0 CGADHM Cc1cc(CNc2cccc(-c3nnn[n-]3)c2C)c(C)s1 ZINC000826266858 609487034 /nfs/dbraw/zinc/48/70/34/609487034.db2.gz FNEDFLLNBZEOBV-UHFFFAOYSA-N -1 3 299.403 3.466 20 0 CGADHM Cc1cc(CNc2cccc(-c3nn[n-]n3)c2C)c(C)s1 ZINC000826266858 609487037 /nfs/dbraw/zinc/48/70/37/609487037.db2.gz FNEDFLLNBZEOBV-UHFFFAOYSA-N -1 3 299.403 3.466 20 0 CGADHM CCCOc1ccc(CCC(=O)[N-]OC2CCC2)cc1 ZINC000812794626 617855758 /nfs/dbraw/zinc/85/57/58/617855758.db2.gz LQRROFGBMXGRTL-UHFFFAOYSA-N -1 3 277.364 3.008 20 0 CGADHM [O-]c1ccc(Cl)cc1/C=N/CCOCC(F)(F)F ZINC000121798001 618621923 /nfs/dbraw/zinc/62/19/23/618621923.db2.gz JMXVNUVYMRCOMZ-OMCISZLKSA-N -1 3 281.661 3.043 20 0 CGADHM CC1(C)C[C@@H](OC(=O)c2cc(Cl)c(Cl)[n-]2)CO1 ZINC000849673079 618703220 /nfs/dbraw/zinc/70/32/20/618703220.db2.gz QAEPINYVAYBXHV-ZCFIWIBFSA-N -1 3 278.135 3.046 20 0 CGADHM CCCCC[C@H](CC)C(=O)N1CCCc2c(=O)[n-]cnc21 ZINC000893212132 619029826 /nfs/dbraw/zinc/02/98/26/619029826.db2.gz VXZZCDVYUMDARV-LBPRGKRZSA-N -1 3 291.395 3.068 20 0 CGADHM C[C@@H]1CCN(C(=O)c2ccc(O)cc2[O-])[C@H]1c1ccccc1 ZINC000894302718 619476767 /nfs/dbraw/zinc/47/67/67/619476767.db2.gz ZFSSRWZGEQXWKD-SJKOYZFVSA-N -1 3 297.354 3.321 20 0 CGADHM CCCCCC[C@H](C)C(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000898216108 620488869 /nfs/dbraw/zinc/48/88/69/620488869.db2.gz NDZVUDPSSHQGTH-STQMWFEESA-N -1 3 293.411 3.038 20 0 CGADHM O=C(c1ccccc1[O-])N1CC2(CCC2)[C@H]1c1cccnc1 ZINC000898404753 620582535 /nfs/dbraw/zinc/58/25/35/620582535.db2.gz ANFMWPFWOMNPKU-MRXNPFEDSA-N -1 3 294.354 3.155 20 0 CGADHM O=C([O-])c1cccc(CN2CCC[C@@H]2c2ccccc2)n1 ZINC000901417959 620881453 /nfs/dbraw/zinc/88/14/53/620881453.db2.gz RBYQDSLPSHCXBQ-MRXNPFEDSA-N -1 3 282.343 3.117 20 0 CGADHM CC(C)c1cnc(CNC2(CC(=O)[O-])CCCC2)s1 ZINC000901687715 620988221 /nfs/dbraw/zinc/98/82/21/620988221.db2.gz ZBOQFYUTPWWUAP-UHFFFAOYSA-N -1 3 282.409 3.144 20 0 CGADHM CCC(C)(C)CCS(=O)(=O)[N-]c1cnn(C2CCC2)c1 ZINC000901976646 621078530 /nfs/dbraw/zinc/07/85/30/621078530.db2.gz FWQZLXMCDQXBEM-UHFFFAOYSA-N -1 3 299.440 3.176 20 0 CGADHM CCCc1ccc(CN2CC[C@@H](C)C[C@H]2C(=O)[O-])s1 ZINC000902016151 621103254 /nfs/dbraw/zinc/10/32/54/621103254.db2.gz KRKMFIVMLATQBZ-RISCZKNCSA-N -1 3 281.421 3.386 20 0 CGADHM O=C([O-])c1cc(CN2CCC[C@@H](C3CCCCC3)C2)on1 ZINC000902125966 621163008 /nfs/dbraw/zinc/16/30/08/621163008.db2.gz QXIDJAADCMSYCS-CYBMUJFWSA-N -1 3 292.379 3.165 20 0 CGADHM CN(CCCCc1ccccc1)Cc1cccc(C(=O)[O-])n1 ZINC000902141624 621168962 /nfs/dbraw/zinc/16/89/62/621168962.db2.gz NGIWINWYVIQHNZ-UHFFFAOYSA-N -1 3 298.386 3.235 20 0 CGADHM Cc1ccc2c(c1)CC[C@H]2NCc1ccoc1C(=O)[O-] ZINC000902172732 621184495 /nfs/dbraw/zinc/18/44/95/621184495.db2.gz CLHSRDCBYVMWCS-CQSZACIVSA-N -1 3 271.316 3.063 20 0 CGADHM O=C([O-])c1ccc(-c2ccc(CN[C@H]3CC34CC4)o2)cc1 ZINC000902274728 621238721 /nfs/dbraw/zinc/23/87/21/621238721.db2.gz ZOLICVLJMXZGCF-HNNXBMFYSA-N -1 3 283.327 3.287 20 0 CGADHM Cc1cccc2c1CCC[C@@H]2NCc1ccc(C(=O)[O-])o1 ZINC000902464667 621337852 /nfs/dbraw/zinc/33/78/52/621337852.db2.gz JQQCPVIYXQFDNI-HNNXBMFYSA-N -1 3 285.343 3.453 20 0 CGADHM Cc1c2occ([O-])c2ccc1OCCCC(C)(F)F ZINC000902616593 621386293 /nfs/dbraw/zinc/38/62/93/621386293.db2.gz DHJYILBXWQITSV-UHFFFAOYSA-N -1 3 270.275 3.384 20 0 CGADHM Cc1cc([C@@H](C)N2CCC[C@H](CF)C2)oc1C(=O)[O-] ZINC000903608568 621771233 /nfs/dbraw/zinc/77/12/33/621771233.db2.gz XAWWYEXSURKKDB-GHMZBOCLSA-N -1 3 269.316 3.029 20 0 CGADHM O=C([O-])c1ccc(CN2CC3(C2)CCCCC3)s1 ZINC000903690735 621789352 /nfs/dbraw/zinc/78/93/52/621789352.db2.gz PTBCYWQEUOYREI-UHFFFAOYSA-N -1 3 265.378 3.212 20 0 CGADHM Cc1cc(CN2CCCC[C@@H]2CCC(=O)[O-])cc(Cl)n1 ZINC000903697778 621792035 /nfs/dbraw/zinc/79/20/35/621792035.db2.gz KSGMTZWMULKIQA-CYBMUJFWSA-N -1 3 296.798 3.263 20 0 CGADHM CCN(Cc1cncc(C(=O)[O-])c1)Cc1ccccc1C ZINC000903887571 621822059 /nfs/dbraw/zinc/82/20/59/621822059.db2.gz WFZQLDVGYROPQO-UHFFFAOYSA-N -1 3 284.359 3.110 20 0 CGADHM C[C@@H]1CCc2ccccc2[C@@H]1NCc1ccc(C(=O)[O-])cn1 ZINC000905726788 622101100 /nfs/dbraw/zinc/10/11/00/622101100.db2.gz YXVXEYYNFJXSAD-SJKOYZFVSA-N -1 3 296.370 3.193 20 0 CGADHM Cc1cc(C)c(NC([O-])=NO[C@H]2CCCCO2)c(C)c1 ZINC000155405157 622337603 /nfs/dbraw/zinc/33/76/03/622337603.db2.gz SWFABZKMSZDEOG-ZDUSSCGKSA-N -1 3 278.352 3.192 20 0 CGADHM Cc1cc(C)c(NC(=O)[N-]O[C@H]2CCCCO2)c(C)c1 ZINC000155405157 622337605 /nfs/dbraw/zinc/33/76/05/622337605.db2.gz SWFABZKMSZDEOG-ZDUSSCGKSA-N -1 3 278.352 3.192 20 0 CGADHM Cc1ccc(C(=O)Nc2cc(Cl)ccc2[O-])nc1 ZINC000156339173 622812694 /nfs/dbraw/zinc/81/26/94/622812694.db2.gz KXQFGPAZKWAXGK-UHFFFAOYSA-N -1 3 262.696 3.001 20 0 CGADHM Cc1cc(C)cc(OCCOC(=O)c2ccc([O-])cc2)c1 ZINC000058917003 622967255 /nfs/dbraw/zinc/96/72/55/622967255.db2.gz IAENKMCUQVCBTM-UHFFFAOYSA-N -1 3 286.327 3.245 20 0 CGADHM Cc1ccc(C(=O)NCc2cccc(OC(C)C)c2)c([O-])c1 ZINC000916492110 624165785 /nfs/dbraw/zinc/16/57/85/624165785.db2.gz VXZKMZIABCMIJX-UHFFFAOYSA-N -1 3 299.370 3.418 20 0 CGADHM CCCCCC[C@@H](C)NC(=O)c1cc2c(cc1[O-])OCO2 ZINC000916963518 624224052 /nfs/dbraw/zinc/22/40/52/624224052.db2.gz UTMDCGRQHOQXRE-LLVKDONJSA-N -1 3 293.363 3.210 20 0 CGADHM C[C@@H]1CCC(C)(C)N1C(=O)NCc1ccc([O-])c(F)c1 ZINC000919747188 624421681 /nfs/dbraw/zinc/42/16/81/624421681.db2.gz JKLIPWHTQBYJOE-SNVBAGLBSA-N -1 3 280.343 3.004 20 0 CGADHM O=C(Nc1ccc(Cl)cc1[O-])c1cccnc1Cl ZINC000179640335 624672612 /nfs/dbraw/zinc/67/26/12/624672612.db2.gz FGOVILGNKAZZBO-UHFFFAOYSA-N -1 3 283.114 3.346 20 0 CGADHM C=CCSCC/N=C/c1cc(Cl)ccc1[O-] ZINC000180199344 624726578 /nfs/dbraw/zinc/72/65/78/624726578.db2.gz JMHHBRBRSRRRHO-NTEUORMPSA-N -1 3 255.770 3.384 20 0 CGADHM CCc1ccc(CCC(=O)[N-]Oc2ccccc2)cc1 ZINC000773466984 625904425 /nfs/dbraw/zinc/90/44/25/625904425.db2.gz PYMDDUUVVKWHCJ-UHFFFAOYSA-N -1 3 269.344 3.292 20 0 CGADHM CC(F)(F)CCCOC(=O)c1ccc(N)c(Cl)c1[O-] ZINC000922840289 626054971 /nfs/dbraw/zinc/05/49/71/626054971.db2.gz XXDLITKFOSRBJE-UHFFFAOYSA-N -1 3 293.697 3.220 20 0 CGADHM O=C(OCCCCC(F)(F)F)c1ccc([O-])cc1 ZINC000751618851 626399003 /nfs/dbraw/zinc/39/90/03/626399003.db2.gz NGGPCDIPXPCOJS-UHFFFAOYSA-N -1 3 262.227 3.282 20 0 CGADHM O=C(OCCC(F)(F)F)c1cc(F)cc(Cl)c1[O-] ZINC000751729983 626402128 /nfs/dbraw/zinc/40/21/28/626402128.db2.gz FCFFFDYRQOITNG-UHFFFAOYSA-N -1 3 286.608 3.294 20 0 CGADHM O=C([N-]c1cnoc1)c1cc2cccc(Cl)c2o1 ZINC000753215040 626448011 /nfs/dbraw/zinc/44/80/11/626448011.db2.gz CXNGRGCBXPXJAK-UHFFFAOYSA-N -1 3 262.652 3.327 20 0 CGADHM COCCCO[N-]C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000805043815 626454290 /nfs/dbraw/zinc/45/42/90/626454290.db2.gz SKZPIIBRBWWPEN-UHFFFAOYSA-N -1 3 293.407 3.001 20 0 CGADHM O=C(CCCc1ccccc1)[N-]OCC[C@@H]1CCCCO1 ZINC000758760360 626859292 /nfs/dbraw/zinc/85/92/92/626859292.db2.gz GJKSNDYFXBJHTR-INIZCTEOSA-N -1 3 291.391 3.016 20 0 CGADHM CCc1cc(=O)[n-]c(CSC[C@@H]2CC2(Cl)Cl)n1 ZINC000763212775 627145539 /nfs/dbraw/zinc/14/55/39/627145539.db2.gz ZBQADVVITISFBY-ZETCQYMHSA-N -1 3 293.219 3.172 20 0 CGADHM CCCCn1nc(C)c(C=Cc2nccc(=O)[n-]2)c1Cl ZINC000764433764 627207479 /nfs/dbraw/zinc/20/74/79/627207479.db2.gz FHYMMBGOXKPOTO-WAYWQWQTSA-N -1 3 292.770 3.311 20 0 CGADHM Cc1ccc(C=Cc2nccc(=O)[n-]2)cc1Br ZINC000767886432 627441111 /nfs/dbraw/zinc/44/11/11/627441111.db2.gz JZBFLBLANVMNGT-PLNGDYQASA-N -1 3 291.148 3.424 20 0 CGADHM CCN(C(=O)c1cc2c(cc1[O-])OCO2)c1ccccc1C ZINC000769710461 627573853 /nfs/dbraw/zinc/57/38/53/627573853.db2.gz VMUSPQNDEGUTDI-UHFFFAOYSA-N -1 3 299.326 3.096 20 0 CGADHM O=C(OC1CCCC1)c1cccc(Br)c1[O-] ZINC000771955631 627749471 /nfs/dbraw/zinc/74/94/71/627749471.db2.gz AVIJJERZRJGBAS-UHFFFAOYSA-N -1 3 285.137 3.254 20 0 CGADHM O=C(N[C@@H]1CC12CCC2)c1cc([O-])c2ccccc2c1 ZINC000874779280 634609570 /nfs/dbraw/zinc/60/95/70/634609570.db2.gz AJEXIRHWLOVTSA-OAHLLOKOSA-N -1 3 267.328 3.218 20 0 CGADHM O=C(N[C@@H]1CC12CCC2)c1cc2sccc2c([O-])c1 ZINC000874781232 634610627 /nfs/dbraw/zinc/61/06/27/634610627.db2.gz WJUXJUBCMOZFQK-CYBMUJFWSA-N -1 3 273.357 3.279 20 0 CGADHM O=C(OCc1ccnc(Cl)c1)c1cccc(Cl)c1[O-] ZINC000775929501 628149896 /nfs/dbraw/zinc/14/98/96/628149896.db2.gz LLHITLYYEPTEHZ-UHFFFAOYSA-N -1 3 298.125 3.451 20 0 CGADHM O=C(COC(=O)c1cccc(Cl)c1[O-])c1ccccc1 ZINC000775934293 628150402 /nfs/dbraw/zinc/15/04/02/628150402.db2.gz UKWFWDIHUXNKQX-UHFFFAOYSA-N -1 3 290.702 3.085 20 0 CGADHM C[C@H](OC(=O)c1cccc(Cl)c1[O-])c1ccncc1 ZINC000775935678 628151272 /nfs/dbraw/zinc/15/12/72/628151272.db2.gz NAVAYJDROZQGFV-VIFPVBQESA-N -1 3 277.707 3.359 20 0 CGADHM CCc1cccc(CC(=O)[N-]OC2CCCCC2)c1 ZINC000777960031 628314471 /nfs/dbraw/zinc/31/44/71/628314471.db2.gz NCUUEXKLHKSWFS-UHFFFAOYSA-N -1 3 261.365 3.172 20 0 CGADHM Cc1ccc(C)c(OCCC(=O)[N-]OC2CCCCC2)c1 ZINC000777958444 628314478 /nfs/dbraw/zinc/31/44/78/628314478.db2.gz LYWIUEUZLCTRBT-UHFFFAOYSA-N -1 3 291.391 3.453 20 0 CGADHM C[C@H](OC(=O)c1cnn[n-]1)c1ccc(C(C)(C)C)cc1 ZINC000805603578 628336991 /nfs/dbraw/zinc/33/69/91/628336991.db2.gz LLRCWBBTKPVLOQ-JTQLQIEISA-N -1 3 273.336 3.020 20 0 CGADHM C[C@H](OC(=O)c1c[n-]nn1)c1ccc(C(C)(C)C)cc1 ZINC000805603578 628336996 /nfs/dbraw/zinc/33/69/96/628336996.db2.gz LLRCWBBTKPVLOQ-JTQLQIEISA-N -1 3 273.336 3.020 20 0 CGADHM C[C@@H](OC(=O)c1cnn[n-]1)c1ccc(Cl)cc1Cl ZINC000805604734 628341279 /nfs/dbraw/zinc/34/12/79/628341279.db2.gz QBGQVHWOSGFRRP-ZCFIWIBFSA-N -1 3 286.118 3.030 20 0 CGADHM C[C@@H](OC(=O)c1c[n-]nn1)c1ccc(Cl)cc1Cl ZINC000805604734 628341283 /nfs/dbraw/zinc/34/12/83/628341283.db2.gz QBGQVHWOSGFRRP-ZCFIWIBFSA-N -1 3 286.118 3.030 20 0 CGADHM CCCCCC(CCCCC)NC(=O)c1cn[n-]n1 ZINC000778974734 628380988 /nfs/dbraw/zinc/38/09/88/628380988.db2.gz HIQXFIJUIYKQDI-UHFFFAOYSA-N -1 3 266.389 3.064 20 0 CGADHM CC(=O)CCCCCCC(=O)[N-]OC1CCCCC1 ZINC000779325017 628408091 /nfs/dbraw/zinc/40/80/91/628408091.db2.gz IDJAKJBBYUZDFV-UHFFFAOYSA-N -1 3 269.385 3.297 20 0 CGADHM Cc1cc2cc[nH]c2cc1NC([O-])=NO[C@@H]1CCCCO1 ZINC000782089212 628615493 /nfs/dbraw/zinc/61/54/93/628615493.db2.gz WWEDSFZVQGXGOG-CQSZACIVSA-N -1 3 289.335 3.056 20 0 CGADHM Cc1cc2cc[nH]c2cc1NC(=O)[N-]O[C@@H]1CCCCO1 ZINC000782089212 628615497 /nfs/dbraw/zinc/61/54/97/628615497.db2.gz WWEDSFZVQGXGOG-CQSZACIVSA-N -1 3 289.335 3.056 20 0 CGADHM CC(C)CCCCCC[N-]S(=O)(=O)c1ccco1 ZINC000782452175 628647605 /nfs/dbraw/zinc/64/76/05/628647605.db2.gz JMRHAWMDTQMXOF-UHFFFAOYSA-N -1 3 273.398 3.164 20 0 CGADHM O=C(OCC[C@H]1CCCCO1)c1cc(Cl)c(Cl)[n-]1 ZINC000784957415 628844373 /nfs/dbraw/zinc/84/43/73/628844373.db2.gz VRTKONHRLYCVBO-MRVPVSSYSA-N -1 3 292.162 3.438 20 0 CGADHM O=C(COC(=O)c1cc2cc(Cl)sc2[n-]1)C1CC1 ZINC000810625389 628857496 /nfs/dbraw/zinc/85/74/96/628857496.db2.gz JEJLFUHLPSWFIS-UHFFFAOYSA-N -1 3 283.736 3.019 20 0 CGADHM O=C(OC[C@H]1CCC2(CCCC2)O1)c1cc2occc2[n-]1 ZINC000786030610 628908990 /nfs/dbraw/zinc/90/89/90/628908990.db2.gz UBUYRNWLYCJZMJ-LLVKDONJSA-N -1 3 289.331 3.410 20 0 CGADHM CCCC(=O)COC(=O)c1cc2sccc2c([O-])c1 ZINC000786131157 628915672 /nfs/dbraw/zinc/91/56/72/628915672.db2.gz LWLZNRWGPODIDU-UHFFFAOYSA-N -1 3 278.329 3.133 20 0 CGADHM COC(=O)c1cnc(SCc2ccc(Cl)cc2C)[n-]1 ZINC000788506170 629060536 /nfs/dbraw/zinc/06/05/36/629060536.db2.gz QUVDYNZOFCAMMZ-UHFFFAOYSA-N -1 3 296.779 3.450 20 0 CGADHM O=C(COC(=O)c1cc2occc2[n-]1)C1CCCCCC1 ZINC000788998476 629095464 /nfs/dbraw/zinc/09/54/64/629095464.db2.gz YEJUYXZGOXGRHE-UHFFFAOYSA-N -1 3 289.331 3.457 20 0 CGADHM C[C@@H](C[C@@H]1CCOC1)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000792222758 629350434 /nfs/dbraw/zinc/35/04/34/629350434.db2.gz AHYROHHSPUDSPR-STQMWFEESA-N -1 3 299.370 3.090 20 0 CGADHM C[C@H](C[C@H]1CCOC1)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000792222755 629350645 /nfs/dbraw/zinc/35/06/45/629350645.db2.gz AHYROHHSPUDSPR-CHWSQXEVSA-N -1 3 299.370 3.090 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)Cc1ccc(OCC(C)C)cc1 ZINC000794842876 629586675 /nfs/dbraw/zinc/58/66/75/629586675.db2.gz NQWCAQRQUKGKKB-CQSZACIVSA-N -1 3 293.407 3.358 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)CCc1ccccc1Cl ZINC000794848623 629587664 /nfs/dbraw/zinc/58/76/64/629587664.db2.gz DEFAFHNZDWXCPY-LLVKDONJSA-N -1 3 269.772 3.367 20 0 CGADHM CCc1ccc(C(=O)CCC(=O)[N-]OC[C@@H](C)CC)cc1 ZINC000794853515 629588596 /nfs/dbraw/zinc/58/85/96/629588596.db2.gz RKOMKSOMJJPDJW-ZDUSSCGKSA-N -1 3 291.391 3.306 20 0 CGADHM CC(C)(C)c1csc(CN[C@H](CC(=O)[O-])C(C)(C)C)n1 ZINC000864510262 629848858 /nfs/dbraw/zinc/84/88/58/629848858.db2.gz TZUAKNDISRQNOW-SNVBAGLBSA-N -1 3 298.452 3.420 20 0 CGADHM Cc1cc(CNCc2cccc(CCC(=O)[O-])c2)cs1 ZINC000864518464 629850634 /nfs/dbraw/zinc/85/06/34/629850634.db2.gz KJOXUZHOSIMKTR-UHFFFAOYSA-N -1 3 289.400 3.364 20 0 CGADHM O=C([O-])CCc1cccc(CNCc2cccs2)c1 ZINC000864518168 629850933 /nfs/dbraw/zinc/85/09/33/629850933.db2.gz WPJXPTREVUBSLU-UHFFFAOYSA-N -1 3 275.373 3.055 20 0 CGADHM CC(C)[C@H](C(=O)[O-])[C@@H](C)NCc1nc(C(C)(C)C)cs1 ZINC000864517733 629850975 /nfs/dbraw/zinc/85/09/75/629850975.db2.gz YJUSMECRXSALQV-MFKMUULPSA-N -1 3 298.452 3.276 20 0 CGADHM O=C([N-]OC1CCC1)C1(Cc2cccc(Cl)c2)CC1 ZINC000836800258 634805003 /nfs/dbraw/zinc/80/50/03/634805003.db2.gz UYFSKFWUYIFAFS-UHFFFAOYSA-N -1 3 279.767 3.263 20 0 CGADHM C[C@H](Cn1ccc2ccccc21)C(=O)[N-]OC1CCCC1 ZINC000803029663 630444672 /nfs/dbraw/zinc/44/46/72/630444672.db2.gz BPXJKGUZZQBLBE-CYBMUJFWSA-N -1 3 286.375 3.268 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2ccc(Cl)nc2Cl)n1 ZINC000806574142 630568637 /nfs/dbraw/zinc/56/86/37/630568637.db2.gz DTGLBMRVUVMRLG-HYXAFXHYSA-N -1 3 282.130 3.363 20 0 CGADHM C[C@@]1(OC(=O)c2cc3cc(Cl)sc3[n-]2)CCOC1 ZINC000810874503 630969429 /nfs/dbraw/zinc/96/94/29/630969429.db2.gz FSONCCKEFHQVKO-GFCCVEGCSA-N -1 3 285.752 3.219 20 0 CGADHM O=C(OCc1ccon1)c1cc2cc(Cl)sc2[n-]1 ZINC000811394449 631061715 /nfs/dbraw/zinc/06/17/15/631061715.db2.gz DGFNBULFYMYVDC-UHFFFAOYSA-N -1 3 282.708 3.228 20 0 CGADHM O=c1ccnc(C=Cc2cscc2C(F)(F)F)[n-]1 ZINC000811691465 631110598 /nfs/dbraw/zinc/11/05/98/631110598.db2.gz NBOVNTAQEGWELL-UPHRSURJSA-N -1 3 272.251 3.433 20 0 CGADHM Cc1ccc2c(CC(=O)[N-]OC/C=C\Cl)coc2c1C ZINC000812398307 631244087 /nfs/dbraw/zinc/24/40/87/631244087.db2.gz YQUXEVDXPJPTBI-UTCJRWHESA-N -1 3 293.750 3.392 20 0 CGADHM CC(C)OCCO[N-]C(=O)C[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000812808833 631317882 /nfs/dbraw/zinc/31/78/82/631317882.db2.gz LFSKNCDMOBYLLJ-KGLIPLIRSA-N -1 3 285.428 3.312 20 0 CGADHM Cc1cc([C@H]2CCCN2Cc2c(F)ccc([O-])c2F)no1 ZINC000816487936 631992797 /nfs/dbraw/zinc/99/27/97/631992797.db2.gz CNDIDPJWTUQALO-CYBMUJFWSA-N -1 3 294.301 3.304 20 0 CGADHM CCc1ccc(C(=O)CCC(=O)[N-]Oc2ccccc2)cc1 ZINC000816685250 632042598 /nfs/dbraw/zinc/04/25/98/632042598.db2.gz ISNWXOTUPQFPNJ-UHFFFAOYSA-N -1 3 297.354 3.322 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)C1(Cc2ccccc2)CCC1 ZINC000816976972 632066957 /nfs/dbraw/zinc/06/69/57/632066957.db2.gz NSZQBBKZEAGZDF-AWEZNQCLSA-N -1 3 275.392 3.493 20 0 CGADHM CC[C@H](C)CONC(=O)c1cc2sccc2c([O-])c1 ZINC000816980866 632069774 /nfs/dbraw/zinc/06/97/74/632069774.db2.gz VINBDIATDHUNKF-VIFPVBQESA-N -1 3 279.361 3.314 20 0 CGADHM Cc1cc(OCCCC(=O)[N-]OCC2CC2)ccc1Cl ZINC000817339441 632126562 /nfs/dbraw/zinc/12/65/62/632126562.db2.gz ITTNUDKSHNTVEZ-UHFFFAOYSA-N -1 3 297.782 3.265 20 0 CGADHM O=C(CCc1ccc(Cl)c(Cl)c1)[N-]OCC1CC1 ZINC000817355394 632130382 /nfs/dbraw/zinc/13/03/82/632130382.db2.gz XUNNFAVMHYATOE-UHFFFAOYSA-N -1 3 288.174 3.384 20 0 CGADHM Cc1ccc(CCC(=O)[N-]OCCC2CC2)c(C)c1 ZINC000817399257 632137340 /nfs/dbraw/zinc/13/73/40/632137340.db2.gz IKFSWVPKTGLJDQ-UHFFFAOYSA-N -1 3 261.365 3.084 20 0 CGADHM C[C@H](CC(=O)[N-]OCCC1CC1)c1ccc(F)cc1F ZINC000817403983 632138796 /nfs/dbraw/zinc/13/87/96/632138796.db2.gz UCIAAFLOMWOXBX-SNVBAGLBSA-N -1 3 283.318 3.306 20 0 CGADHM COc1ccccc1[C@@H](C)CC(=O)[N-]OCCC1CC1 ZINC000817413435 632143574 /nfs/dbraw/zinc/14/35/74/632143574.db2.gz SXCAPHZYPSUJID-LBPRGKRZSA-N -1 3 277.364 3.037 20 0 CGADHM CC1(C)CCC(CC(=O)[N-]OCCC2CC2)CC1 ZINC000817416855 632146370 /nfs/dbraw/zinc/14/63/70/632146370.db2.gz YFFAADGAZDMTPW-UHFFFAOYSA-N -1 3 253.386 3.441 20 0 CGADHM O=C(Cc1c[nH]c2cccc(Cl)c12)[N-]OCCC1CC1 ZINC000817416312 632146634 /nfs/dbraw/zinc/14/66/34/632146634.db2.gz AEEUPIYGAWIFOJ-UHFFFAOYSA-N -1 3 292.766 3.212 20 0 CGADHM Cc1cc(C(=O)CCC(=O)[N-]OCCC2CC2)c(C)s1 ZINC000817446061 632161284 /nfs/dbraw/zinc/16/12/84/632161284.db2.gz GEEAFKMSAYRCMW-UHFFFAOYSA-N -1 3 295.404 3.176 20 0 CGADHM Cc1cccc([C@@H]2CCCN2C(=O)c2ccc(N)cc2[O-])c1 ZINC000817915719 632235320 /nfs/dbraw/zinc/23/53/20/632235320.db2.gz QGOKTAZWWABEBF-INIZCTEOSA-N -1 3 296.370 3.260 20 0 CGADHM CCCC[C@H](CCC)NC(=O)c1ccc(N)cc1[O-] ZINC000817957590 632252242 /nfs/dbraw/zinc/25/22/42/632252242.db2.gz DDYSVVADJFVUAX-LBPRGKRZSA-N -1 3 264.369 3.063 20 0 CGADHM CCc1ccc(NC([O-])=NO[C@H]2CCCCO2)cc1CC ZINC000121181885 633231971 /nfs/dbraw/zinc/23/19/71/633231971.db2.gz JYOJTTMMYCLRTA-HNNXBMFYSA-N -1 3 292.379 3.391 20 0 CGADHM CCc1ccc(NC(=O)[N-]O[C@H]2CCCCO2)cc1CC ZINC000121181885 633231977 /nfs/dbraw/zinc/23/19/77/633231977.db2.gz JYOJTTMMYCLRTA-HNNXBMFYSA-N -1 3 292.379 3.391 20 0 CGADHM CCCc1ccc(NCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825348056 633348844 /nfs/dbraw/zinc/34/88/44/633348844.db2.gz BIPWPMZRSASUTM-UHFFFAOYSA-N -1 3 293.374 3.431 20 0 CGADHM CCCc1ccc(NCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825348056 633348846 /nfs/dbraw/zinc/34/88/46/633348846.db2.gz BIPWPMZRSASUTM-UHFFFAOYSA-N -1 3 293.374 3.431 20 0 CGADHM CCCO[N-]C(=O)CCc1ccccc1C(F)(F)F ZINC000869085017 633401886 /nfs/dbraw/zinc/40/18/86/633401886.db2.gz QCCWQUXYKLMYTK-UHFFFAOYSA-N -1 3 275.270 3.096 20 0 CGADHM CCOC(=O)c1ccc(NC(=O)C(C)=C2CCC2)c([O-])c1 ZINC000827844262 633524470 /nfs/dbraw/zinc/52/44/70/633524470.db2.gz RVMKDCIPMLKDMW-UHFFFAOYSA-N -1 3 289.331 3.008 20 0 CGADHM CCOc1cccc(F)c1CNC[C@@H](CC(C)C)C(=O)[O-] ZINC000871874819 633906350 /nfs/dbraw/zinc/90/63/50/633906350.db2.gz WMTNTOKRNBTSMP-GFCCVEGCSA-N -1 3 297.370 3.061 20 0 CGADHM O=C(CC[C@H]1CC1(Cl)Cl)Nc1cccc([O-])c1F ZINC000831393822 633951816 /nfs/dbraw/zinc/95/18/16/633951816.db2.gz LGOSPBQHSWSZES-ZETCQYMHSA-N -1 3 292.137 3.444 20 0 CGADHM CSc1cc(CN[C@H](C)c2cccc([O-])c2F)ccn1 ZINC000872047265 633970459 /nfs/dbraw/zinc/97/04/59/633970459.db2.gz RAANEDOPJPLYMX-SNVBAGLBSA-N -1 3 292.379 3.499 20 0 CGADHM CC(C)c1nnc([C@H](C)N[C@@H](C)c2cccc([O-])c2F)[nH]1 ZINC000872050495 633972963 /nfs/dbraw/zinc/97/29/63/633972963.db2.gz BDJRFYFGFIIBCX-UWVGGRQHSA-N -1 3 292.358 3.185 20 0 CGADHM C[C@@H](NCc1ccc2c(c1)COC2)c1cccc([O-])c1F ZINC000872050652 633974586 /nfs/dbraw/zinc/97/45/86/633974586.db2.gz AWAWDDWXSHSPNU-LLVKDONJSA-N -1 3 287.334 3.412 20 0 CGADHM O=C(NCCC[C@H]1C=CCC1)c1cc(=O)c2ccccc2[n-]1 ZINC000834338843 634147646 /nfs/dbraw/zinc/14/76/46/634147646.db2.gz VRRQJLACQYPQKZ-ZDUSSCGKSA-N -1 3 296.370 3.004 20 0 CGADHM CC(C)c1cccc(CC(=O)[N-]OC2CCCC2)c1 ZINC000837512419 634923249 /nfs/dbraw/zinc/92/32/49/634923249.db2.gz DFTVHGWGDCGZMA-UHFFFAOYSA-N -1 3 261.365 3.343 20 0 CGADHM O=C(Cc1ccccc1OC1CCCC1)[N-]OC1CCC1 ZINC000837678057 634964585 /nfs/dbraw/zinc/96/45/85/634964585.db2.gz BCWNXWWJNOZUAA-UHFFFAOYSA-N -1 3 289.375 3.151 20 0 CGADHM CSc1cc(C)ccc1NC([O-])=NO[C@@H]1CCCCO1 ZINC000841726970 635219121 /nfs/dbraw/zinc/21/91/21/635219121.db2.gz IMPOVGVUEBQXRK-CYBMUJFWSA-N -1 3 296.392 3.297 20 0 CGADHM CSc1cc(C)ccc1NC(=O)[N-]O[C@@H]1CCCCO1 ZINC000841726970 635219127 /nfs/dbraw/zinc/21/91/27/635219127.db2.gz IMPOVGVUEBQXRK-CYBMUJFWSA-N -1 3 296.392 3.297 20 0 CGADHM CC(C)(C)CC(=O)[N-]OCc1cc(F)cc2cccnc21 ZINC000842062841 635272505 /nfs/dbraw/zinc/27/25/05/635272505.db2.gz DPRLQTGGIZDBCC-UHFFFAOYSA-N -1 3 290.338 3.358 20 0 CGADHM Cc1ccc(CSCc2nc(C)cc(=O)[n-]2)c(Cl)n1 ZINC000842174177 635305909 /nfs/dbraw/zinc/30/59/09/635305909.db2.gz AITIJPNXAAVTGM-UHFFFAOYSA-N -1 3 295.795 3.281 20 0 CGADHM CCCCC[C@@H](CC)c1nc(-c2cc(=O)[n-]cn2)no1 ZINC000843030296 635546875 /nfs/dbraw/zinc/54/68/75/635546875.db2.gz YAYLRMCXNKCVCH-SNVBAGLBSA-N -1 3 276.340 3.306 20 0 CGADHM CN(Cc1nnc(-c2ccccc2[O-])o1)C1CC(C)(C)C1 ZINC000878704281 635609222 /nfs/dbraw/zinc/60/92/22/635609222.db2.gz SMAOMOXLIAJVQB-UHFFFAOYSA-N -1 3 287.363 3.063 20 0 CGADHM CCCO[N-]C(=O)CCc1ccc2ccccc2c1 ZINC000844082752 635816141 /nfs/dbraw/zinc/81/61/41/635816141.db2.gz FVATYCDSLOFSAA-UHFFFAOYSA-N -1 3 257.333 3.230 20 0 CGADHM CSCc1ccccc1NC([O-])=NO[C@@H]1CCCCO1 ZINC000128240469 635923109 /nfs/dbraw/zinc/92/31/09/635923109.db2.gz NLPLISYAZRRDJQ-CYBMUJFWSA-N -1 3 296.392 3.129 20 0 CGADHM CSCc1ccccc1NC(=O)[N-]O[C@@H]1CCCCO1 ZINC000128240469 635923112 /nfs/dbraw/zinc/92/31/12/635923112.db2.gz NLPLISYAZRRDJQ-CYBMUJFWSA-N -1 3 296.392 3.129 20 0 CGADHM C=C/C=C\CCSc1nc(=O)cc([O-])n1C1CCCC1 ZINC000882096035 636254046 /nfs/dbraw/zinc/25/40/46/636254046.db2.gz GXLKJYASYKWRGT-ARJAWSKDSA-N -1 3 292.404 3.288 20 0 CGADHM [O-]c1ccccc1-c1nnc(CSCC2CC2)o1 ZINC000882172357 636276329 /nfs/dbraw/zinc/27/63/29/636276329.db2.gz AUCKTTGOHYDOHB-UHFFFAOYSA-N -1 3 262.334 3.085 20 0 CGADHM CC(C)(C)OC(=O)CCCCC(=O)[N-]OC1CCCCC1 ZINC000847772644 636443678 /nfs/dbraw/zinc/44/36/78/636443678.db2.gz RHSSNSVZBPBPLA-UHFFFAOYSA-N -1 3 299.411 3.269 20 0 CGADHM O=C(CCCc1ccc(F)cc1)[N-]OCCC(F)(F)F ZINC000847770836 636443719 /nfs/dbraw/zinc/44/37/19/636443719.db2.gz PJSQOMIIFKZQTH-UHFFFAOYSA-N -1 3 293.260 3.149 20 0 CGADHM COC(=O)c1cnc(SCCC(C)(C)C2CC2)[n-]1 ZINC000848434109 636576477 /nfs/dbraw/zinc/57/64/77/636576477.db2.gz GQDGSPXGOSZCNZ-UHFFFAOYSA-N -1 3 268.382 3.115 20 0 CGADHM [O-]c1ccc(CNCc2ccc3c(n2)CCC3)cc1Cl ZINC000883204048 636582934 /nfs/dbraw/zinc/58/29/34/636582934.db2.gz RCAOIOSEDQXXNH-UHFFFAOYSA-N -1 3 288.778 3.219 20 0 CGADHM CC(C)c1nnc(CO[N-]C(=O)CCC2CCCCC2)o1 ZINC000132189998 636790638 /nfs/dbraw/zinc/79/06/38/636790638.db2.gz WIOMEGSFWMPAFN-UHFFFAOYSA-N -1 3 295.383 3.101 20 0 CGADHM CCC[C@@H](C)CN1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000087612633 636796238 /nfs/dbraw/zinc/79/62/38/636796238.db2.gz XYMAODQDEHQUEA-IUODEOHRSA-N -1 3 261.365 3.107 20 0 CGADHM C[C@@H](OC(=O)c1cccc2nn[n-]c21)c1ccccc1F ZINC000800206499 636955989 /nfs/dbraw/zinc/95/59/89/636955989.db2.gz CUSQXDDILHEJPR-SECBINFHSA-N -1 3 285.278 3.015 20 0 CGADHM C[C@@H](OC(=O)c1cccc2[n-]nnc21)c1ccccc1F ZINC000800206499 636955996 /nfs/dbraw/zinc/95/59/96/636955996.db2.gz CUSQXDDILHEJPR-SECBINFHSA-N -1 3 285.278 3.015 20 0 CGADHM C[C@@H](OC(=O)c1cccc2n[n-]nc21)c1ccccc1F ZINC000800206499 636956000 /nfs/dbraw/zinc/95/60/00/636956000.db2.gz CUSQXDDILHEJPR-SECBINFHSA-N -1 3 285.278 3.015 20 0 CGADHM C[C@H](OC(=O)c1cccc2nn[n-]c21)c1ccccc1F ZINC000800206500 636956251 /nfs/dbraw/zinc/95/62/51/636956251.db2.gz CUSQXDDILHEJPR-VIFPVBQESA-N -1 3 285.278 3.015 20 0 CGADHM C[C@H](OC(=O)c1cccc2[n-]nnc21)c1ccccc1F ZINC000800206500 636956258 /nfs/dbraw/zinc/95/62/58/636956258.db2.gz CUSQXDDILHEJPR-VIFPVBQESA-N -1 3 285.278 3.015 20 0 CGADHM C[C@H](OC(=O)c1cccc2n[n-]nc21)c1ccccc1F ZINC000800206500 636956265 /nfs/dbraw/zinc/95/62/65/636956265.db2.gz CUSQXDDILHEJPR-VIFPVBQESA-N -1 3 285.278 3.015 20 0 CGADHM CCC(CC)CN(CC)C(=O)c1cc2c(cc1[O-])OCO2 ZINC000135950746 637242190 /nfs/dbraw/zinc/24/21/90/637242190.db2.gz JXSFONQKCVGCHV-UHFFFAOYSA-N -1 3 293.363 3.019 20 0 CGADHM CCc1c(=O)n(C2CCSCC2)[n-]c1-c1ccccc1 ZINC000887293264 637791842 /nfs/dbraw/zinc/79/18/42/637791842.db2.gz YVYZAQJJYNWTJA-CQSZACIVSA-N -1 3 288.416 3.155 20 0 CGADHM CCC(F)(F)C(=O)[N-]Cc1ccc(OC(F)F)c(F)c1 ZINC000854662069 638083765 /nfs/dbraw/zinc/08/37/65/638083765.db2.gz ZBESGXUKNQPSJH-UHFFFAOYSA-N -1 3 297.223 3.089 20 0 CGADHM CC(C)c1ccc(C(=O)N2CCCSC[C@@H]2C)c([O-])c1 ZINC000889923600 638135920 /nfs/dbraw/zinc/13/59/20/638135920.db2.gz YOXQTKKAVGRUDT-LBPRGKRZSA-N -1 3 293.432 3.483 20 0 CGADHM CC(C)c1ccc(C(=O)N2CCCSC[C@H]2C)c([O-])c1 ZINC000889923598 638136458 /nfs/dbraw/zinc/13/64/58/638136458.db2.gz YOXQTKKAVGRUDT-GFCCVEGCSA-N -1 3 293.432 3.483 20 0 CGADHM Cc1ccc(OCCCC(=O)[N-]OCC2CCC2)cc1 ZINC000856342257 638345074 /nfs/dbraw/zinc/34/50/74/638345074.db2.gz GKRAJESHASPYQA-UHFFFAOYSA-N -1 3 277.364 3.002 20 0 CGADHM O=C(C[C@H](c1ccc(O)cc1)C1CC1)[N-]OCC1CCC1 ZINC000856344034 638346108 /nfs/dbraw/zinc/34/61/08/638346108.db2.gz HNPPDPKVFXGNME-INIZCTEOSA-N -1 3 289.375 3.124 20 0 CGADHM C[C@@H](CCC(=O)[N-]OCC1CCC1)c1ccccc1 ZINC000856348302 638348512 /nfs/dbraw/zinc/34/85/12/638348512.db2.gz CYKPMWBKGZUPCZ-ZDUSSCGKSA-N -1 3 261.365 3.418 20 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Cc1cc(-c2ccnc3ccncc32)cc([O-])c1F ZINC001250506864 805663077 /nfs/dbraw/zinc/66/30/77/805663077.db2.gz RZQSUGJQVJLCIZ-UHFFFAOYSA-N -1 3 254.264 3.450 20 0 CGADHM COc1ncccc1-c1ccc(C(F)(F)F)cc1[O-] ZINC001250534694 805682779 /nfs/dbraw/zinc/68/27/79/805682779.db2.gz YUDLNPJYZPXWQZ-UHFFFAOYSA-N -1 3 269.222 3.482 20 0 CGADHM NC(=O)c1ccccc1-c1ccc([O-])c(C(F)(F)F)c1 ZINC001250610345 805722192 /nfs/dbraw/zinc/72/21/92/805722192.db2.gz IBQPMBMEUYQPAW-UHFFFAOYSA-N -1 3 281.233 3.177 20 0 CGADHM [O-]c1cnccc1-c1nc2c(cc(F)cc2Cl)[nH]1 ZINC001250860108 805789825 /nfs/dbraw/zinc/78/98/25/805789825.db2.gz PMAPTLPRRZRCIQ-UHFFFAOYSA-N -1 3 263.659 3.123 20 0 CGADHM CCOc1ccc2nc(-c3cccc([O-])c3F)n(C)c2c1 ZINC001251255569 805871735 /nfs/dbraw/zinc/87/17/35/805871735.db2.gz PCIBOCRJWHXKDJ-UHFFFAOYSA-N -1 3 286.306 3.484 20 0 CGADHM COCOc1ccc2[nH]c(-c3cccc([O-])c3F)nc2c1 ZINC001251254936 805873137 /nfs/dbraw/zinc/87/31/37/805873137.db2.gz BTZNFCLZKBBTNP-UHFFFAOYSA-N -1 3 288.278 3.057 20 0 CGADHM Cc1cccc([O-])c1-c1nnc(Cc2ccc(F)cc2)o1 ZINC001251931472 805953819 /nfs/dbraw/zinc/95/38/19/805953819.db2.gz YWTKFLNIJQMWKY-UHFFFAOYSA-N -1 3 284.290 3.481 20 0 CGADHM Cc1c(Cl)cc(NCC(C)(C)O)c([O-])c1Cl ZINC001252362212 806042090 /nfs/dbraw/zinc/04/20/90/806042090.db2.gz GAFWPNXNEWMILA-UHFFFAOYSA-N -1 3 264.152 3.190 20 0 CGADHM O=c1[n-]c(-c2nnc(-c3ccc(Cl)cc3)o2)ccc1F ZINC001252774090 806111033 /nfs/dbraw/zinc/11/10/33/806111033.db2.gz VEBFEDVINWIZDH-UHFFFAOYSA-N -1 3 291.669 3.297 20 0 CGADHM Cc1cccc([O-])c1C(=O)Nc1cc2c(cn1)CCCC2 ZINC001159572152 806124190 /nfs/dbraw/zinc/12/41/90/806124190.db2.gz FRVSVVFXBKPWRE-UHFFFAOYSA-N -1 3 282.343 3.227 20 0 CGADHM CCc1ccc(-c2nnc(-c3ccc([O-])cn3)o2)cc1 ZINC001252953436 806139994 /nfs/dbraw/zinc/13/99/94/806139994.db2.gz HRXJXWGRIKPZCV-UHFFFAOYSA-N -1 3 267.288 3.067 20 0 CGADHM O=C(Nc1c([O-])cccc1Cl)c1cc(C(F)F)ncn1 ZINC001159656967 806142101 /nfs/dbraw/zinc/14/21/01/806142101.db2.gz GYNQDFFUEADRFZ-UHFFFAOYSA-N -1 3 299.664 3.026 20 0 CGADHM CCCS(=O)(=O)[N-]c1c(Cl)ccc2cccnc21 ZINC001253705283 806281099 /nfs/dbraw/zinc/28/10/99/806281099.db2.gz QTUYBWBURUTKNN-UHFFFAOYSA-N -1 3 284.768 3.040 20 0 CGADHM C[Si](C)(C)Cc1cn(-c2ccc(Cl)cc2[O-])nn1 ZINC001254164924 806357253 /nfs/dbraw/zinc/35/72/53/806357253.db2.gz BGNWJLMWHLKJQB-UHFFFAOYSA-N -1 3 281.819 3.046 20 0 CGADHM CC(C)(C)[C@@H]1CCC[C@@H]1NC(=O)c1ccc(O)cc1[O-] ZINC001161554584 806387655 /nfs/dbraw/zinc/38/76/55/806387655.db2.gz SJPMXVWAXVCWPF-OLZOCXBDSA-N -1 3 277.364 3.042 20 0 CGADHM CCc1coc(CNc2[n-]c(=O)c(Cl)cc2Cl)n1 ZINC001162133697 806510014 /nfs/dbraw/zinc/51/00/14/806510014.db2.gz CLQPQMLBJVWLIV-UHFFFAOYSA-N -1 3 288.134 3.257 20 0 CGADHM CCOc1cccc(-c2nnc(C3CCC3)o2)c1[O-] ZINC001255257355 806585110 /nfs/dbraw/zinc/58/51/10/806585110.db2.gz KNKMQBYPRNNEJY-UHFFFAOYSA-N -1 3 260.293 3.108 20 0 CGADHM C[C@H]1CCCC[C@@H]1CNc1ccccc1-c1nnn[n-]1 ZINC001162527378 806613047 /nfs/dbraw/zinc/61/30/47/806613047.db2.gz WWTDEOMAPIRJQB-NWDGAFQWSA-N -1 3 271.368 3.105 20 0 CGADHM C[C@H]1CCCC[C@@H]1CNc1ccccc1-c1nn[n-]n1 ZINC001162527378 806613052 /nfs/dbraw/zinc/61/30/52/806613052.db2.gz WWTDEOMAPIRJQB-NWDGAFQWSA-N -1 3 271.368 3.105 20 0 CGADHM C[C@@H](CC(=O)[N-]OC(C)(C)C)c1ccccc1F ZINC000125997574 799004773 /nfs/dbraw/zinc/00/47/73/799004773.db2.gz LKILJDJWIJYYLD-JTQLQIEISA-N -1 3 253.317 3.166 20 0 CGADHM O=C(Nc1cccc([O-])c1F)c1nc2ccccc2s1 ZINC000129978824 799024502 /nfs/dbraw/zinc/02/45/02/799024502.db2.gz LFIBKZQZXCELLZ-UHFFFAOYSA-N -1 3 288.303 3.393 20 0 CGADHM COC(=O)c1scc(C)c1[N-]C(=O)c1sccc1F ZINC000311636833 799224791 /nfs/dbraw/zinc/22/47/91/799224791.db2.gz AKQVOQJSRCOHBD-UHFFFAOYSA-N -1 3 299.348 3.296 20 0 CGADHM CCOc1ccccc1-c1noc(-c2c([O-])cccc2O)n1 ZINC000319332914 799246589 /nfs/dbraw/zinc/24/65/89/799246589.db2.gz IFOWYPWTDKTFPD-UHFFFAOYSA-N -1 3 298.298 3.214 20 0 CGADHM C[C@@H](CSc1ccc(F)cc1)N[C@H]1[CH]CC=C1 ZINC001255739899 806730600 /nfs/dbraw/zinc/73/06/00/806730600.db2.gz MCTAVFRFVWRBTD-WCQYABFASA-N -1 3 250.362 3.429 20 0 CGADHM [O-]c1ccc(CNc2ccc3c(c2)CCCO3)cc1F ZINC000383602784 799405784 /nfs/dbraw/zinc/40/57/84/799405784.db2.gz BSNSMJWXTUTMQU-UHFFFAOYSA-N -1 3 273.307 3.468 20 0 CGADHM Cc1cccc(OCCC(=O)[N-]OCc2ccccc2)c1C ZINC000390716402 799473348 /nfs/dbraw/zinc/47/33/48/799473348.db2.gz LDCLKUBPVSAHGE-UHFFFAOYSA-N -1 3 299.370 3.320 20 0 CGADHM COc1ccc(C(=O)NCc2csc(C)c2C)c([O-])c1 ZINC000399889101 799543559 /nfs/dbraw/zinc/54/35/59/799543559.db2.gz NWCGQQTWWUMMSU-UHFFFAOYSA-N -1 3 291.372 3.009 20 0 CGADHM CCCCC[C@@H](C)NC(=O)c1c([O-])cccc1OC ZINC000405261648 799582767 /nfs/dbraw/zinc/58/27/67/799582767.db2.gz PASZYONNTGQFJI-LLVKDONJSA-N -1 3 265.353 3.099 20 0 CGADHM COc1cccc([O-])c1C(=O)N[C@H](C)CCC(C)(C)C ZINC000405278486 799582821 /nfs/dbraw/zinc/58/28/21/799582821.db2.gz YCTBOLIPHWRVJB-LLVKDONJSA-N -1 3 279.380 3.345 20 0 CGADHM Cc1ccc(CNCc2csc(C(=O)[O-])c2)s1 ZINC000689147651 799762274 /nfs/dbraw/zinc/76/22/74/799762274.db2.gz XXPDOTYAVAOVBC-UHFFFAOYSA-N -1 3 267.375 3.106 20 0 CGADHM Cc1cccc([O-])c1C(=O)N[C@H](C)c1ccccc1 ZINC000706622703 799964336 /nfs/dbraw/zinc/96/43/36/799964336.db2.gz VNQYFPMATPPXHG-GFCCVEGCSA-N -1 3 255.317 3.192 20 0 CGADHM C[C@]1(C(F)(F)F)CCN(Cc2ccc(C(=O)[O-])s2)C1 ZINC000708926291 799999261 /nfs/dbraw/zinc/99/92/61/799999261.db2.gz LDIXRHBJRZSNSN-NSHDSACASA-N -1 3 293.310 3.221 20 0 CGADHM O=C([O-])c1ccc(CN2CCC(F)(C3CC3)CC2)s1 ZINC000724689671 800365940 /nfs/dbraw/zinc/36/59/40/800365940.db2.gz JZRDAUCJGXLERM-UHFFFAOYSA-N -1 3 283.368 3.160 20 0 CGADHM CCCCCCc1nnc(-c2ccc(C(=O)OCC)[n-]2)o1 ZINC001256382440 806878659 /nfs/dbraw/zinc/87/86/59/806878659.db2.gz DKLVZUHENARCRV-UHFFFAOYSA-N -1 3 291.351 3.364 20 0 CGADHM C[C@@H]1C[C@@H]1c1nnc(-c2c([O-])cc3ccccc3c2O)o1 ZINC001256632432 806933251 /nfs/dbraw/zinc/93/32/51/806933251.db2.gz FZQMVXDNDMVTSW-KCJUWKMLSA-N -1 3 282.299 3.424 20 0 CGADHM COc1ncc(F)c(-c2ccc([O-])cc2C(F)(F)F)n1 ZINC001205073465 812849337 /nfs/dbraw/zinc/84/93/37/812849337.db2.gz NNXKXPKOHAHGAS-UHFFFAOYSA-N -1 3 288.200 3.016 20 0 CGADHM Cc1nc2ccc(-c3nc[n-]c4nc(=S)sc3-4)cc2[nH]1 ZINC001243969547 803110089 /nfs/dbraw/zinc/11/00/89/803110089.db2.gz POPHPOAPCWLUKC-UHFFFAOYSA-N -1 3 299.384 3.227 20 0 CGADHM COc1ccc(-c2cc(-c3nnn[n-]3)ccc2F)c(C)c1C ZINC001244002738 803133776 /nfs/dbraw/zinc/13/37/76/803133776.db2.gz NGSHQHNZIPKJLI-UHFFFAOYSA-N -1 3 298.321 3.298 20 0 CGADHM COc1ccc(-c2cc(-c3nn[n-]n3)ccc2F)c(C)c1C ZINC001244002738 803133781 /nfs/dbraw/zinc/13/37/81/803133781.db2.gz NGSHQHNZIPKJLI-UHFFFAOYSA-N -1 3 298.321 3.298 20 0 CGADHM COc1ncc(F)cc1-c1c([O-])cccc1Cl ZINC001244052409 803162266 /nfs/dbraw/zinc/16/22/66/803162266.db2.gz VPGQBSOXUVFSEA-UHFFFAOYSA-N -1 3 253.660 3.255 20 0 CGADHM CN(C)/C=C/c1ccncc1-c1cc(F)c([O-])c(F)c1 ZINC001244098968 803186751 /nfs/dbraw/zinc/18/67/51/803186751.db2.gz SYLIXIUNQRGJBU-GQCTYLIASA-N -1 3 276.286 3.265 20 0 CGADHM COc1cccc(-c2cccc(-c3nnn[n-]3)c2)c1C1CC1 ZINC001244253058 803264372 /nfs/dbraw/zinc/26/43/72/803264372.db2.gz XUIVAAULHBGBEK-UHFFFAOYSA-N -1 3 292.342 3.420 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CGADHM CCc1nnc2ccc(-c3ccc(Cl)cc3[O-])cn21 ZINC001244470239 803387582 /nfs/dbraw/zinc/38/75/82/803387582.db2.gz WZOHJPQZEXPFQE-UHFFFAOYSA-N -1 3 273.723 3.318 20 0 CGADHM [O-]c1cc(Cl)ccc1-c1cc(F)c2nccn2c1 ZINC001244472834 803388519 /nfs/dbraw/zinc/38/85/19/803388519.db2.gz QYBGMGYTFVWOBD-UHFFFAOYSA-N -1 3 262.671 3.499 20 0 CGADHM Cc1cc(-c2ncc(C(F)(F)F)cn2)cc([O-])c1F ZINC001244496936 803403734 /nfs/dbraw/zinc/40/37/34/803403734.db2.gz ZDUUVRSKDWPIPW-UHFFFAOYSA-N -1 3 272.201 3.316 20 0 CGADHM CCOC(=O)c1ccnc(-c2cc(C)c(F)c([O-])c2)c1C ZINC001244496585 803404102 /nfs/dbraw/zinc/40/41/02/803404102.db2.gz UNLRQXALZMVZQO-UHFFFAOYSA-N -1 3 289.306 3.387 20 0 CGADHM [O-]c1c(F)cc(-c2cccc3cncn32)cc1Cl ZINC001244501658 803408109 /nfs/dbraw/zinc/40/81/09/803408109.db2.gz FAIBLEMLQAPLKH-UHFFFAOYSA-N -1 3 262.671 3.499 20 0 CGADHM Cc1cc(-c2nc(C)nc(C)c2F)cc([O-])c1F ZINC001244508928 803411370 /nfs/dbraw/zinc/41/13/70/803411370.db2.gz UVECPXFVLVRHKO-UHFFFAOYSA-N -1 3 250.248 3.053 20 0 CGADHM Cc1cc(-c2ccc(OC(C)C)nn2)cc([O-])c1F ZINC001244508691 803411759 /nfs/dbraw/zinc/41/17/59/803411759.db2.gz WJMQLVKMOGTGOT-UHFFFAOYSA-N -1 3 262.284 3.084 20 0 CGADHM Cc1cc(-c2nccnc2C(F)(F)F)cc([O-])c1F ZINC001244507590 803411797 /nfs/dbraw/zinc/41/17/97/803411797.db2.gz PFFAQIDWAGCDCE-UHFFFAOYSA-N -1 3 272.201 3.316 20 0 CGADHM Cc1cc(-c2cncnc2C(F)(F)F)cc([O-])c1F ZINC001244516411 803413515 /nfs/dbraw/zinc/41/35/15/803413515.db2.gz UMCQSXWSTGFEHS-UHFFFAOYSA-N -1 3 272.201 3.316 20 0 CGADHM Cc1cc(-c2ccc3ncn(C)c3c2)cc([O-])c1F ZINC001244516678 803413652 /nfs/dbraw/zinc/41/36/52/803413652.db2.gz BBHSGQNGLSIKMT-UHFFFAOYSA-N -1 3 256.280 3.393 20 0 CGADHM Cc1cc(-c2cnc3c(ccn3C)c2)cc([O-])c1F ZINC001244516460 803414283 /nfs/dbraw/zinc/41/42/83/803414283.db2.gz VISWBZCQEQIYNE-UHFFFAOYSA-N -1 3 256.280 3.393 20 0 CGADHM Cc1cc(-c2cccc(N3CCNC3=O)c2)cc([O-])c1F ZINC001244516480 803414408 /nfs/dbraw/zinc/41/44/08/803414408.db2.gz WGSFMKKVTUHDTL-UHFFFAOYSA-N -1 3 286.306 3.036 20 0 CGADHM Cc1cc(-c2ccc(-n3ccnc3)nc2)cc([O-])c1F ZINC001244525985 803418229 /nfs/dbraw/zinc/41/82/29/803418229.db2.gz WHUCPRFTZNDBKP-UHFFFAOYSA-N -1 3 269.279 3.087 20 0 CGADHM Cc1cc(-c2ccc3ncnn3c2C)cc(Cl)c1[O-] ZINC001244537560 803425719 /nfs/dbraw/zinc/42/57/19/803425719.db2.gz NGEVQBIGDVYPHE-UHFFFAOYSA-N -1 3 273.723 3.372 20 0 CGADHM Cc1cc(-c2cnc(N3CCCC3)nc2)cc(Cl)c1[O-] ZINC001244537486 803425885 /nfs/dbraw/zinc/42/58/85/803425885.db2.gz LASPUSOMYNAVRW-UHFFFAOYSA-N -1 3 289.766 3.411 20 0 CGADHM Cc1cc(-c2ccc(C(N)=O)c(C)c2)cc(Cl)c1[O-] ZINC001244546792 803431793 /nfs/dbraw/zinc/43/17/93/803431793.db2.gz JCFKLVOCSBIOOB-UHFFFAOYSA-N -1 3 275.735 3.428 20 0 CGADHM CCOc1ccc(C)c(-c2cc(-c3nnn[n-]3)ccc2F)c1 ZINC001244872208 803558532 /nfs/dbraw/zinc/55/85/32/803558532.db2.gz RWSYMTFZJLNRKP-UHFFFAOYSA-N -1 3 298.321 3.380 20 0 CGADHM CCOc1ccc(C)c(-c2cc(-c3nn[n-]n3)ccc2F)c1 ZINC001244872208 803558534 /nfs/dbraw/zinc/55/85/34/803558534.db2.gz RWSYMTFZJLNRKP-UHFFFAOYSA-N -1 3 298.321 3.380 20 0 CGADHM Cc1c(Cl)cccc1-c1ccc(-c2nnn[n-]2)cc1 ZINC001244965841 803596090 /nfs/dbraw/zinc/59/60/90/803596090.db2.gz RURGMQUFPGZEKR-UHFFFAOYSA-N -1 3 270.723 3.496 20 0 CGADHM Cc1c(Cl)cccc1-c1ccc(-c2nn[n-]n2)cc1 ZINC001244965841 803596094 /nfs/dbraw/zinc/59/60/94/803596094.db2.gz RURGMQUFPGZEKR-UHFFFAOYSA-N -1 3 270.723 3.496 20 0 CGADHM COc1cc(C)c(C)cc1-c1cc(-c2nnn[n-]2)ccc1F ZINC001245022191 803614777 /nfs/dbraw/zinc/61/47/77/803614777.db2.gz ABPSPXKWKMPZLL-UHFFFAOYSA-N -1 3 298.321 3.298 20 0 CGADHM COc1cc(C)c(C)cc1-c1cc(-c2nn[n-]n2)ccc1F ZINC001245022191 803614780 /nfs/dbraw/zinc/61/47/80/803614780.db2.gz ABPSPXKWKMPZLL-UHFFFAOYSA-N -1 3 298.321 3.298 20 0 CGADHM Cc1cccc([O-])c1C(=O)Nc1cccc(-c2cc[nH]n2)c1 ZINC001136174581 803634903 /nfs/dbraw/zinc/63/49/03/803634903.db2.gz UHQWPFKNPUBUNQ-UHFFFAOYSA-N -1 3 293.326 3.343 20 0 CGADHM COc1c(F)cc(NC(=O)c2c(C)cccc2[O-])cc1F ZINC001136336869 803640144 /nfs/dbraw/zinc/64/01/44/803640144.db2.gz KBRUNIYYMQTAQX-UHFFFAOYSA-N -1 3 293.269 3.240 20 0 CGADHM C[C@@H]1CCCC[C@H]1CCNC(=O)c1ccc(O)cc1[O-] ZINC001136790704 803652782 /nfs/dbraw/zinc/65/27/82/803652782.db2.gz CQIHPGZWPPRKII-NEPJUHHUSA-N -1 3 277.364 3.044 20 0 CGADHM FC(F)(F)c1cc(-c2c[nH]c3cnccc23)nc(=S)[n-]1 ZINC001245392635 803723596 /nfs/dbraw/zinc/72/35/96/803723596.db2.gz AKGKWTRREIYHCF-UHFFFAOYSA-N -1 3 296.277 3.327 20 0 CGADHM O=C1CCCc2nc(Nc3ccc([O-])c(F)c3F)sc21 ZINC001211997661 814965005 /nfs/dbraw/zinc/96/50/05/814965005.db2.gz DSLYYUHDDIFKMR-UHFFFAOYSA-N -1 3 296.298 3.390 20 0 CGADHM [O-]c1ccc(Nc2cn(CC(F)(F)F)cn2)c(F)c1F ZINC001212005815 814965784 /nfs/dbraw/zinc/96/57/84/814965784.db2.gz WDKYKONEHQSCKZ-UHFFFAOYSA-N -1 3 293.195 3.173 20 0 CGADHM O=C1Cc2ccc(Nc3ccc([O-])c(F)c3F)cc2C1 ZINC001212016550 814967837 /nfs/dbraw/zinc/96/78/37/814967837.db2.gz VTZDPPHBHKTQAS-UHFFFAOYSA-N -1 3 275.254 3.082 20 0 CGADHM C/C(=C/c1ccccn1)C(=O)Nc1ccc(Cl)cc1[O-] ZINC001138015216 803824485 /nfs/dbraw/zinc/82/44/85/803824485.db2.gz VTEUUDXZRJXSMP-NTMALXAHSA-N -1 3 288.734 3.483 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])c1ccc2ccncc2c1 ZINC001138016439 803824748 /nfs/dbraw/zinc/82/47/48/803824748.db2.gz NAQJHMDKZBRGDP-UHFFFAOYSA-N -1 3 282.274 3.332 20 0 CGADHM Cc1cc(-c2nnn[n-]2)ccc1-c1cc2cc(F)ccc2[nH]1 ZINC001245579678 803831033 /nfs/dbraw/zinc/83/10/33/803831033.db2.gz ZZSMSNHEIBRMKU-UHFFFAOYSA-N -1 3 293.305 3.463 20 0 CGADHM Cc1cc(-c2nn[n-]n2)ccc1-c1cc2cc(F)ccc2[nH]1 ZINC001245579678 803831043 /nfs/dbraw/zinc/83/10/43/803831043.db2.gz ZZSMSNHEIBRMKU-UHFFFAOYSA-N -1 3 293.305 3.463 20 0 CGADHM CN1Cc2c(cccc2-c2ccc3c(c2)[N-]C(=S)C3)C1=O ZINC001245628838 803865199 /nfs/dbraw/zinc/86/51/99/803865199.db2.gz YOQLQOICHCHPNS-UHFFFAOYSA-N -1 3 294.379 3.235 20 0 CGADHM Cc1nc2c[nH]cc(-c3cc([O-])c(F)c(F)c3F)c-2n1 ZINC001245638454 803877457 /nfs/dbraw/zinc/87/74/57/803877457.db2.gz IASXBNSWOYDAJS-UHFFFAOYSA-N -1 3 279.221 3.056 20 0 CGADHM COc1ncc2cc[nH]c2c1-c1c([O-])cccc1F ZINC001245654177 803885482 /nfs/dbraw/zinc/88/54/82/803885482.db2.gz AUXKTVNWSWNNMP-UHFFFAOYSA-N -1 3 258.252 3.083 20 0 CGADHM CC(=O)N1CCc2cc(-c3c([O-])cccc3F)ccc21 ZINC001245654353 803886663 /nfs/dbraw/zinc/88/66/63/803886663.db2.gz PZPQPCGFDIUUMJ-UHFFFAOYSA-N -1 3 271.291 3.107 20 0 CGADHM O=c1ccc(-c2c([O-])cccc2F)cn1Cc1ccccc1 ZINC001245655775 803888854 /nfs/dbraw/zinc/88/88/54/803888854.db2.gz MINUQIAZWKPOPZ-UHFFFAOYSA-N -1 3 295.313 3.408 20 0 CGADHM Cc1ncc(Nc2cc(=O)n(-c3ccccc3)[n-]2)s1 ZINC001212130139 814980552 /nfs/dbraw/zinc/98/05/52/814980552.db2.gz AAHHMRLKJVGPNJ-UHFFFAOYSA-N -1 3 272.333 3.086 20 0 CGADHM Cc1cc(Nc2cc(F)c([O-])cc2F)cnc1F ZINC001212191183 814990754 /nfs/dbraw/zinc/99/07/54/814990754.db2.gz WGXXOSNIWAJQDQ-UHFFFAOYSA-N -1 3 254.211 3.257 20 0 CGADHM C[C@@H]1CN(Cc2cc(F)c([O-])c(F)c2)C2(CC2)C1 ZINC001140992071 804563285 /nfs/dbraw/zinc/56/32/85/804563285.db2.gz LOYHXODALNLEFT-VIFPVBQESA-N -1 3 253.292 3.045 20 0 CGADHM COC[C@H]1CCN(Cc2c(Cl)cc([O-])cc2Cl)C1 ZINC001142105518 804694808 /nfs/dbraw/zinc/69/48/08/804694808.db2.gz DJKNMAXIFDOJHV-VIFPVBQESA-N -1 3 290.190 3.167 20 0 CGADHM CO[C@@H]1CCCN(Cc2c(Cl)cc([O-])cc2Cl)C1 ZINC001142106022 804694869 /nfs/dbraw/zinc/69/48/69/804694869.db2.gz WVEFSKOIMLTNEK-SNVBAGLBSA-N -1 3 290.190 3.310 20 0 CGADHM [O-]c1c(F)cc(F)cc1Nc1cncc(C(F)(F)F)n1 ZINC001212479703 815034957 /nfs/dbraw/zinc/03/49/57/815034957.db2.gz MQJIIGSZZHIDBB-UHFFFAOYSA-N -1 3 291.179 3.223 20 0 CGADHM CCc1cccnc1Nc1cc(F)cc(F)c1[O-] ZINC001212479626 815035511 /nfs/dbraw/zinc/03/55/11/815035511.db2.gz IRZMHMXUZVVQFZ-UHFFFAOYSA-N -1 3 250.248 3.371 20 0 CGADHM Nc1ccc(N(c2cc(F)cc(F)c2[O-])C2CCC2)nc1 ZINC001212484281 815037367 /nfs/dbraw/zinc/03/73/67/815037367.db2.gz VNJWAPCMMJIAER-UHFFFAOYSA-N -1 3 291.301 3.338 20 0 CGADHM CC(=O)c1cccc([O-])c1NC(=O)[C@@]1(C)C[C@@H]2C=C[C@H]1C2 ZINC001144277943 804966336 /nfs/dbraw/zinc/96/63/36/804966336.db2.gz SVJNCHUESNQIEN-PEBVRCNWSA-N -1 3 285.343 3.136 20 0 CGADHM C[C@@H]1CCC[C@H](C)N1Cc1c(F)cc([O-])cc1F ZINC001144541118 805000981 /nfs/dbraw/zinc/00/09/81/805000981.db2.gz BDSPIAQBDDOSDP-AOOOYVTPSA-N -1 3 255.308 3.433 20 0 CGADHM C[C@]1(F)CCCN(Cc2c(F)cc([O-])cc2F)CC1 ZINC001144542214 805002436 /nfs/dbraw/zinc/00/24/36/805002436.db2.gz STZFMXSPTHKVJF-AWEZNQCLSA-N -1 3 273.298 3.385 20 0 CGADHM Cc1[n-][nH]c(=O)c1CCNC(=O)CCCCCC(C)(C)C ZINC001144685961 805034945 /nfs/dbraw/zinc/03/49/45/805034945.db2.gz SSOFQCJHHVCYQK-UHFFFAOYSA-N -1 3 295.427 3.079 20 0 CGADHM COc1cccc(NC(=O)Cc2ccc([O-])c(F)c2)c1C ZINC001147363542 805123881 /nfs/dbraw/zinc/12/38/81/805123881.db2.gz DBDWTQSHYQQHBX-UHFFFAOYSA-N -1 3 289.306 3.030 20 0 CGADHM Cc1scc(C(=O)Nc2ccc(F)c([O-])c2)c1C ZINC001147522319 805135530 /nfs/dbraw/zinc/13/55/30/805135530.db2.gz XQJRLQFBNZSHQI-UHFFFAOYSA-N -1 3 265.309 3.462 20 0 CGADHM CCc1ccc(C(=O)Nc2ccccc2NC(C)=O)c([O-])c1 ZINC001147854037 805152766 /nfs/dbraw/zinc/15/27/66/805152766.db2.gz XOVDXSPXXXHPPY-UHFFFAOYSA-N -1 3 298.342 3.165 20 0 CGADHM COc1cc(C)ccc1C(=O)Nc1ccc(F)c([O-])c1 ZINC001148574517 805195585 /nfs/dbraw/zinc/19/55/85/805195585.db2.gz HYUIEIFDOJIWCX-UHFFFAOYSA-N -1 3 275.279 3.101 20 0 CGADHM CSc1ccc([O-])c(C(=O)N[C@@H]2CCCC2(C)C)c1 ZINC001148786584 805209494 /nfs/dbraw/zinc/20/94/94/805209494.db2.gz AMEQEKRIRDEITG-CYBMUJFWSA-N -1 3 279.405 3.423 20 0 CGADHM Cc1cccc2c1CCC[C@@H]2NC(=O)c1ccc(O)cc1[O-] ZINC001148775930 805210258 /nfs/dbraw/zinc/21/02/58/805210258.db2.gz MKEFINZGDWWCOI-INIZCTEOSA-N -1 3 297.354 3.214 20 0 CGADHM O=C(NCC(F)(F)c1ccc(F)cc1)c1ccccc1[O-] ZINC001148819776 805211532 /nfs/dbraw/zinc/21/15/32/805211532.db2.gz KSCUPIGQWNXZJS-UHFFFAOYSA-N -1 3 295.260 3.053 20 0 CGADHM COc1cc(Nc2ccc([O-])c(Cl)c2)ccc1N ZINC001249721965 805226156 /nfs/dbraw/zinc/22/61/56/805226156.db2.gz NAQIAVIKMJBHNO-UHFFFAOYSA-N -1 3 264.712 3.380 20 0 CGADHM Nc1cccc2c(Cl)nn(-c3cccc([O-])c3F)c21 ZINC001212553257 815065621 /nfs/dbraw/zinc/06/56/21/815065621.db2.gz KKJJEEOCYFKDSF-UHFFFAOYSA-N -1 3 277.686 3.106 20 0 CGADHM O=C(Nc1cc([O-])cc(Cl)c1)c1nccc2cc[nH]c21 ZINC001152249999 805341211 /nfs/dbraw/zinc/34/12/11/805341211.db2.gz ZSZJGNLIULPMKB-UHFFFAOYSA-N -1 3 287.706 3.174 20 0 CGADHM [O-]c1ccc(-c2nc(-c3ccc(F)cc3Cl)no2)nc1 ZINC001212557940 815068319 /nfs/dbraw/zinc/06/83/19/815068319.db2.gz JEPCTJMTKFSOMU-UHFFFAOYSA-N -1 3 291.669 3.297 20 0 CGADHM O=C(Nc1cc([O-])cc(Cl)c1)c1cc2ccncc2[nH]1 ZINC001152581712 805355105 /nfs/dbraw/zinc/35/51/05/805355105.db2.gz OVJTXDHJYUCLOY-UHFFFAOYSA-N -1 3 287.706 3.174 20 0 CGADHM [O-]c1ccc(-c2nc(-c3cccc4c3CCCC4)no2)nc1 ZINC001212559078 815069005 /nfs/dbraw/zinc/06/90/05/815069005.db2.gz VAEIHCRFFMQYTC-UHFFFAOYSA-N -1 3 293.326 3.383 20 0 CGADHM COc1cc(Nc2cc(Cl)c([O-])cc2F)ccn1 ZINC001250020430 805372483 /nfs/dbraw/zinc/37/24/83/805372483.db2.gz KPOUXKRWKQEBSP-UHFFFAOYSA-N -1 3 268.675 3.332 20 0 CGADHM O=c1[n-]cncc1Nc1c(Cl)cccc1Cl ZINC001250029457 805379018 /nfs/dbraw/zinc/37/90/18/805379018.db2.gz NAOKYWVWUPUYGT-UHFFFAOYSA-N -1 3 256.092 3.233 20 0 CGADHM Cc1cc(Nc2ncc(Cl)cc2[O-])c(C)cc1CO ZINC001250059010 805395577 /nfs/dbraw/zinc/39/55/77/805395577.db2.gz MHDSPDLHXCSQCW-UHFFFAOYSA-N -1 3 278.739 3.293 20 0 CGADHM CN(C(=O)c1c(O)cc2ccccc2c1[O-])C(C)(C)C ZINC001154026417 805428311 /nfs/dbraw/zinc/42/83/11/805428311.db2.gz SYUZBJWDZBQHII-UHFFFAOYSA-N -1 3 273.332 3.122 20 0 CGADHM CCc1c2ccccc2oc1C(=O)Nc1ncccc1[O-] ZINC001154067870 805431034 /nfs/dbraw/zinc/43/10/34/805431034.db2.gz PCILMXKVLXFPAX-UHFFFAOYSA-N -1 3 282.299 3.348 20 0 CGADHM [O-]c1c(Cl)cccc1Cc1ccc2c(c1)OCO2 ZINC001250154491 805447636 /nfs/dbraw/zinc/44/76/36/805447636.db2.gz DJGKXBVMXLTHNG-UHFFFAOYSA-N -1 3 262.692 3.365 20 0 CGADHM [O-]c1cc(Nc2nccnc2C2CC2)ccc1Cl ZINC001212587917 815077449 /nfs/dbraw/zinc/07/74/49/815077449.db2.gz ABMUSGQERVAXJD-UHFFFAOYSA-N -1 3 261.712 3.457 20 0 CGADHM Cc1ccc2ncc([O-])c(C(=O)N[C@@H]3CC=CCC3)c2c1 ZINC001154533839 805462124 /nfs/dbraw/zinc/46/21/24/805462124.db2.gz QYUOAJVTYIRATL-GFCCVEGCSA-N -1 3 282.343 3.087 20 0 CGADHM [O-]c1cc(Nc2cncc(Cl)n2)ccc1Cl ZINC001212588196 815077589 /nfs/dbraw/zinc/07/75/89/815077589.db2.gz JJSICJACRIUWJS-UHFFFAOYSA-N -1 3 256.092 3.233 20 0 CGADHM [O-]c1c(Cl)cccc1C[C@@H]1COc2ccccc2O1 ZINC001250176495 805464114 /nfs/dbraw/zinc/46/41/14/805464114.db2.gz PSHIXWVYFJSLRT-LLVKDONJSA-N -1 3 276.719 3.428 20 0 CGADHM CNC(=O)Cc1ccccc1Nc1ccc(Cl)c([O-])c1 ZINC001212593086 815079694 /nfs/dbraw/zinc/07/96/94/815079694.db2.gz CESXIRKHYOVOKQ-UHFFFAOYSA-N -1 3 290.750 3.078 20 0 CGADHM [O-]c1cc(Nc2cnc(OCC3CC3)nc2)ccc1Cl ZINC001212590713 815079724 /nfs/dbraw/zinc/07/97/24/815079724.db2.gz ZVLBDPLDMXDTER-UHFFFAOYSA-N -1 3 291.738 3.368 20 0 CGADHM COc1cc(F)ncc1Nc1ccc(Cl)c([O-])c1 ZINC001212591632 815079742 /nfs/dbraw/zinc/07/97/42/815079742.db2.gz WOXOCTJPDKQMMT-UHFFFAOYSA-N -1 3 268.675 3.332 20 0 CGADHM CCc1nc2ccc(Nc3ccc(Cl)c([O-])c3)cn2n1 ZINC001212591268 815080314 /nfs/dbraw/zinc/08/03/14/815080314.db2.gz CZFRYWFZXASEKJ-UHFFFAOYSA-N -1 3 288.738 3.394 20 0 CGADHM CN1C(=O)Cc2cc(Nc3ccc(Cl)c([O-])c3)ccc21 ZINC001212594162 815080772 /nfs/dbraw/zinc/08/07/72/815080772.db2.gz RQHYZJTVYCALDW-UHFFFAOYSA-N -1 3 288.734 3.308 20 0 CGADHM CC(=O)Nc1cc(Nc2c(F)ccc([O-])c2Cl)ccn1 ZINC001250229697 805506541 /nfs/dbraw/zinc/50/65/41/805506541.db2.gz LMASVRQRULYSAZ-UHFFFAOYSA-N -1 3 295.701 3.282 20 0 CGADHM O=C(Nc1cncc([O-])c1)c1c[nH]c2c1cccc2Cl ZINC001154976749 805516677 /nfs/dbraw/zinc/51/66/77/805516677.db2.gz UJSMABUDTDPXCX-UHFFFAOYSA-N -1 3 287.706 3.174 20 0 CGADHM COc1cccc(-c2nnc(CC(C)(C)C)o2)c1[O-] ZINC001257839699 807225175 /nfs/dbraw/zinc/22/51/75/807225175.db2.gz ZQMLEZHTMZTLSH-UHFFFAOYSA-N -1 3 262.309 3.039 20 0 CGADHM Cc1cc(F)c(F)c(-c2noc(-c3cncc([O-])c3)n2)c1 ZINC001212708517 815110165 /nfs/dbraw/zinc/11/01/65/815110165.db2.gz KTNPYKJRFBIKFA-UHFFFAOYSA-N -1 3 289.241 3.091 20 0 CGADHM CCCc1ccc(CNc2ccccc2-c2nnn[n-]2)cc1 ZINC001168636354 807461760 /nfs/dbraw/zinc/46/17/60/807461760.db2.gz XUDKDWNQOSSKDL-UHFFFAOYSA-N -1 3 293.374 3.431 20 0 CGADHM CCCc1ccc(CNc2ccccc2-c2nn[n-]n2)cc1 ZINC001168636354 807461762 /nfs/dbraw/zinc/46/17/62/807461762.db2.gz XUDKDWNQOSSKDL-UHFFFAOYSA-N -1 3 293.374 3.431 20 0 CGADHM CC(C)=CCCC(C)=CCNc1ccc(-c2nnn[n-]2)nc1 ZINC001169135318 807587242 /nfs/dbraw/zinc/58/72/42/807587242.db2.gz KAMCDPJMVMOZOB-UKTHLTGXSA-N -1 3 298.394 3.366 20 0 CGADHM CC(C)=CCCC(C)=CCNc1ccc(-c2nn[n-]n2)nc1 ZINC001169135318 807587250 /nfs/dbraw/zinc/58/72/50/807587250.db2.gz KAMCDPJMVMOZOB-UKTHLTGXSA-N -1 3 298.394 3.366 20 0 CGADHM COc1cc(CCNc2ccc3c(c2)[N-]C(=S)C3)ccn1 ZINC001169224641 807608479 /nfs/dbraw/zinc/60/84/79/807608479.db2.gz JBRBFFSYAYBQKT-UHFFFAOYSA-N -1 3 299.399 3.040 20 0 CGADHM O=S(=O)([N-]c1c(F)cccc1OC1CCCC1)C1CC1 ZINC001259276294 807677463 /nfs/dbraw/zinc/67/74/63/807677463.db2.gz FMXZCLYDLJTPPZ-UHFFFAOYSA-N -1 3 299.367 3.051 20 0 CGADHM O=S(=O)([N-]c1cc(C2CCCCC2)ccc1O)C1CC1 ZINC001259276862 807677523 /nfs/dbraw/zinc/67/75/23/807677523.db2.gz JNNUSTGZIPBYSG-UHFFFAOYSA-N -1 3 295.404 3.344 20 0 CGADHM Cc1cc(C)cc(S(=O)(=O)[N-]c2cccc(F)c2F)c1 ZINC001259516302 807679305 /nfs/dbraw/zinc/67/93/05/807679305.db2.gz KQFUYPLPSBTNLC-UHFFFAOYSA-N -1 3 297.326 3.382 20 0 CGADHM O=S(=O)([N-]c1csc2ncccc12)C1CCCCC1 ZINC001259808881 807688137 /nfs/dbraw/zinc/68/81/37/807688137.db2.gz KIEGNXODOJOYEQ-UHFFFAOYSA-N -1 3 296.417 3.371 20 0 CGADHM [O-]c1cccnc1CNc1cc(Cl)ncc1Cl ZINC001169733881 807700931 /nfs/dbraw/zinc/70/09/31/807700931.db2.gz ZXPRXDPSVMZTNR-UHFFFAOYSA-N -1 3 270.119 3.101 20 0 CGADHM [O-]c1cccnc1CNc1cc(F)cc2cccnc21 ZINC001169733203 807700945 /nfs/dbraw/zinc/70/09/45/807700945.db2.gz PXMUWOUTAWQJRW-UHFFFAOYSA-N -1 3 269.279 3.087 20 0 CGADHM Cc1c2[nH]ccc2ccc1NCc1ncccc1[O-] ZINC001169732654 807701560 /nfs/dbraw/zinc/70/15/60/807701560.db2.gz OAWFPZZNPHSXPD-UHFFFAOYSA-N -1 3 253.305 3.189 20 0 CGADHM Cc1nccc(-c2ccc(NCc3ncccc3[O-])cc2)n1 ZINC001169733547 807702007 /nfs/dbraw/zinc/70/20/07/807702007.db2.gz YZNKOBZWUWXPDZ-UHFFFAOYSA-N -1 3 292.342 3.165 20 0 CGADHM CCOc1ncc(Nc2cc(F)c([O-])cc2F)cc1F ZINC001212833025 815150356 /nfs/dbraw/zinc/15/03/56/815150356.db2.gz CKDMUBYLNMZFNQ-UHFFFAOYSA-N -1 3 284.237 3.347 20 0 CGADHM CCCCCC[C@@H](CCC)Nc1cnc(C)[n-]c1=O ZINC001172388775 808279957 /nfs/dbraw/zinc/27/99/57/808279957.db2.gz OKBYSYXHKBPBDP-ZIAGYGMSSA-N -1 3 265.401 3.113 20 0 CGADHM COC(=O)c1ccc([O-])cc1Nc1ccc(C(C)=O)cc1 ZINC001173898256 808750809 /nfs/dbraw/zinc/75/08/09/808750809.db2.gz JWWHIZWMMCGHQV-UHFFFAOYSA-N -1 3 285.299 3.125 20 0 CGADHM O=c1cc(Nc2ccc3c(c2)CCCC3=O)nc(C2CC2)[n-]1 ZINC001213101050 815234926 /nfs/dbraw/zinc/23/49/26/815234926.db2.gz DEUJVORUEZGCGG-UHFFFAOYSA-N -1 3 295.342 3.322 20 0 CGADHM Cc1cc(F)cc(C)c1Nc1ncc(F)cc1[O-] ZINC001215963130 815642573 /nfs/dbraw/zinc/64/25/73/815642573.db2.gz VQYPIBIBKBGSNQ-UHFFFAOYSA-N -1 3 250.248 3.426 20 0 CGADHM [O-]c1c(F)cc(Nc2ccc3c(c2)CCO3)cc1F ZINC001174010539 808819863 /nfs/dbraw/zinc/81/98/63/808819863.db2.gz CYVRMCBUEUCIIJ-UHFFFAOYSA-N -1 3 263.243 3.349 20 0 CGADHM COc1ncccc1Nc1cccc(Cl)c1[O-] ZINC001174044936 808843664 /nfs/dbraw/zinc/84/36/64/808843664.db2.gz YNFGNIJBBGVNTQ-UHFFFAOYSA-N -1 3 250.685 3.193 20 0 CGADHM Cc1ccc(F)c(Nc2cccc(C(=O)N(C)C)c2[O-])c1 ZINC001174113572 808873235 /nfs/dbraw/zinc/87/32/35/808873235.db2.gz MBOJWIWTXUYKIK-UHFFFAOYSA-N -1 3 288.322 3.285 20 0 CGADHM CC(C)NC(=O)c1ccc([N-]c2nnc(C(C)C)o2)cc1 ZINC001174147346 808891731 /nfs/dbraw/zinc/89/17/31/808891731.db2.gz QQGXPJCFZBPKOF-UHFFFAOYSA-N -1 3 288.351 3.075 20 0 CGADHM CCOC(=O)c1ccccc1[N-]c1nnc(CC)s1 ZINC001213170850 815250238 /nfs/dbraw/zinc/25/02/38/815250238.db2.gz QYDBNOXTRBNGGA-UHFFFAOYSA-N -1 3 277.349 3.021 20 0 CGADHM [O-]c1c(F)cc(Nc2cnc(C3CC3)nc2)cc1F ZINC001174616089 809105538 /nfs/dbraw/zinc/10/55/38/809105538.db2.gz UCQNZYUXKHGNTB-UHFFFAOYSA-N -1 3 263.247 3.081 20 0 CGADHM [O-]c1cccc(NC2=CCC3(CC2)OCCO3)c1Cl ZINC001174643685 809114634 /nfs/dbraw/zinc/11/46/34/809114634.db2.gz MPTHULHNNNBXRF-UHFFFAOYSA-N -1 3 281.739 3.268 20 0 CGADHM Nc1cccc2c1CCCN2c1cc(F)c([O-])c(F)c1 ZINC001213386507 815274196 /nfs/dbraw/zinc/27/41/96/815274196.db2.gz HBSHSMIODBWSCL-UHFFFAOYSA-N -1 3 276.286 3.337 20 0 CGADHM CCOc1ccc(F)cc1Nc1ncc(F)cc1[O-] ZINC001175079989 809261045 /nfs/dbraw/zinc/26/10/45/809261045.db2.gz VRTMWWJETYYTGM-UHFFFAOYSA-N -1 3 266.247 3.208 20 0 CGADHM CCN(c1cc(F)c([O-])c(F)c1)c1ccccc1N ZINC001213381950 815274567 /nfs/dbraw/zinc/27/45/67/815274567.db2.gz REWQGZACTSPOTF-UHFFFAOYSA-N -1 3 264.275 3.411 20 0 CGADHM [O-]c1c(F)cc(Nc2ccc(OC3COC3)cc2)cc1F ZINC001213384253 815274655 /nfs/dbraw/zinc/27/46/55/815274655.db2.gz AUJWJQVWORIWJW-UHFFFAOYSA-N -1 3 293.269 3.192 20 0 CGADHM COC(=O)c1ccc(F)cc1Nc1c(F)cc([O-])cc1F ZINC001175097087 809269945 /nfs/dbraw/zinc/26/99/45/809269945.db2.gz OKMBKBARVKIKNC-UHFFFAOYSA-N -1 3 297.232 3.340 20 0 CGADHM C[C@@H](O)c1ccc(Nc2c(F)cc([O-])cc2F)cc1 ZINC001175099936 809270609 /nfs/dbraw/zinc/27/06/09/809270609.db2.gz HYKKYKQUBODTNC-MRVPVSSYSA-N -1 3 265.259 3.467 20 0 CGADHM O=C1OCc2ccc(Nc3c(F)cc([O-])cc3F)cc21 ZINC001175099857 809270828 /nfs/dbraw/zinc/27/08/28/809270828.db2.gz CXAWIXVKXQEPDP-UHFFFAOYSA-N -1 3 277.226 3.084 20 0 CGADHM Cc1cc(Nc2cnc[n-]c2=O)ccc1OC(C)C ZINC001175191891 809302632 /nfs/dbraw/zinc/30/26/32/809302632.db2.gz GLBPZHXRWYNLAY-UHFFFAOYSA-N -1 3 259.309 3.021 20 0 CGADHM CCOc1cccc(F)c1Nc1cc(=O)[n-]c(C2CC2)n1 ZINC001175222770 809314126 /nfs/dbraw/zinc/31/41/26/809314126.db2.gz MUGQUZFUVMXJQV-UHFFFAOYSA-N -1 3 289.310 3.341 20 0 CGADHM COc1cncc(Nc2c(F)ccc([O-])c2F)c1C ZINC001175262327 809328154 /nfs/dbraw/zinc/32/81/54/809328154.db2.gz DBDNEBGXHLUOFR-UHFFFAOYSA-N -1 3 266.247 3.126 20 0 CGADHM [O-]c1ccc(F)c(Nc2nc3c(s2)CCC3)c1F ZINC001175260779 809328288 /nfs/dbraw/zinc/32/82/88/809328288.db2.gz AGOSISRFGGPJKP-UHFFFAOYSA-N -1 3 268.288 3.359 20 0 CGADHM Cc1ccc(Nc2c(F)ccc([O-])c2F)c(F)n1 ZINC001175262815 809329375 /nfs/dbraw/zinc/32/93/75/809329375.db2.gz MOVWEEIPSLBMAP-UHFFFAOYSA-N -1 3 254.211 3.257 20 0 CGADHM CCc1nnc2ccc(Nc3c(F)ccc([O-])c3F)cn21 ZINC001175265926 809330797 /nfs/dbraw/zinc/33/07/97/809330797.db2.gz MPPSHYKTTOTPDQ-UHFFFAOYSA-N -1 3 290.273 3.019 20 0 CGADHM Cc1cc(Nc2c(F)ccc([O-])c2F)n(CC2CC2)n1 ZINC001175265091 809330824 /nfs/dbraw/zinc/33/08/24/809330824.db2.gz BNADNPLKZPPHAA-UHFFFAOYSA-N -1 3 279.290 3.329 20 0 CGADHM [O-]c1ccc(F)c(Nc2cnc(F)c(F)c2)c1F ZINC001175266735 809331233 /nfs/dbraw/zinc/33/12/33/809331233.db2.gz YOPALRDTVKAIID-UHFFFAOYSA-N -1 3 258.174 3.087 20 0 CGADHM CC(C)Cn1cnc(Nc2c(F)ccc([O-])c2F)c1 ZINC001175265095 809331375 /nfs/dbraw/zinc/33/13/75/809331375.db2.gz BQOLNWHIRJMTMK-UHFFFAOYSA-N -1 3 267.279 3.267 20 0 CGADHM COC(=O)c1cccc(Nc2c(F)ccc([O-])c2F)c1 ZINC001175266359 809331519 /nfs/dbraw/zinc/33/15/19/809331519.db2.gz YDCPKMKYFIQZDJ-UHFFFAOYSA-N -1 3 279.242 3.201 20 0 CGADHM Nc1ccc(F)c(Nc2c(F)ccc([O-])c2F)c1 ZINC001175268253 809332121 /nfs/dbraw/zinc/33/21/21/809332121.db2.gz PEROBVBTEIIKMP-UHFFFAOYSA-N -1 3 254.211 3.135 20 0 CGADHM [O-]c1ccc(F)c(Nc2cccc3c2COC3)c1F ZINC001175269654 809333699 /nfs/dbraw/zinc/33/36/99/809333699.db2.gz IWHFHAYWADZRDS-UHFFFAOYSA-N -1 3 263.243 3.444 20 0 CGADHM [O-]c1ccc(F)c(Nc2c(CO)ccc(F)c2F)c1F ZINC001175269771 809333884 /nfs/dbraw/zinc/33/38/84/809333884.db2.gz KVYWIGXNPOWVHI-UHFFFAOYSA-N -1 3 287.212 3.185 20 0 CGADHM COc1cc2ccn(-c3c(F)ccc([O-])c3F)c2c(N)c1 ZINC001175270914 809334634 /nfs/dbraw/zinc/33/46/34/809334634.db2.gz NVVPFMIKPVIUTE-UHFFFAOYSA-N -1 3 290.269 3.205 20 0 CGADHM Cc1cncc(Nc2ncc(Br)cc2[O-])c1C ZINC001213523511 815297579 /nfs/dbraw/zinc/29/75/79/815297579.db2.gz UTGDWIHNSVJEBX-UHFFFAOYSA-N -1 3 294.152 3.305 20 0 CGADHM CC(C)Oc1ccc([N-]c2nnco2)cc1Cl ZINC001175868527 809562102 /nfs/dbraw/zinc/56/21/02/809562102.db2.gz NSAJOFAXGMLCBF-UHFFFAOYSA-N -1 3 253.689 3.254 20 0 CGADHM O=c1[n-]cncc1Nc1ccc(F)c2ccccc12 ZINC001175955382 809579828 /nfs/dbraw/zinc/57/98/28/809579828.db2.gz JSBXGWXRWWDRDP-UHFFFAOYSA-N -1 3 255.252 3.218 20 0 CGADHM Cc1ccc(C(=O)Nc2cccc3ocnc32)c([O-])c1C ZINC001302294117 809592060 /nfs/dbraw/zinc/59/20/60/809592060.db2.gz QIPOABRIEKFVOP-UHFFFAOYSA-N -1 3 282.299 3.403 20 0 CGADHM C[C@H]1CC[C@@H](CC(=O)[N-]Oc2ccccc2F)C1 ZINC001303332714 809608403 /nfs/dbraw/zinc/60/84/03/809608403.db2.gz KOKJQMNEQXCFSY-WDEREUQCSA-N -1 3 251.301 3.062 20 0 CGADHM CCOC(=O)c1ccsc1[N-]c1c(C)noc1C ZINC001176178181 809640550 /nfs/dbraw/zinc/64/05/50/809640550.db2.gz WJYPYIGYMZYWNV-UHFFFAOYSA-N -1 3 266.322 3.273 20 0 CGADHM O=c1cc(Nc2ccccc2N2CCCC2)nc(C2CC2)[n-]1 ZINC001213601776 815308916 /nfs/dbraw/zinc/30/89/16/815308916.db2.gz DSWRZSWLPVPVLN-UHFFFAOYSA-N -1 3 296.374 3.403 20 0 CGADHM O=C(Nc1ccc(F)c([O-])c1)[C@@H]1C[C@H]1c1cccs1 ZINC001177546535 809807716 /nfs/dbraw/zinc/80/77/16/809807716.db2.gz RSYMJGHJAFOULU-NXEZZACHSA-N -1 3 277.320 3.335 20 0 CGADHM Cc1ccc(-c2noc(-c3nc(C)ccc3[O-])n2)cc1 ZINC001213699647 815322958 /nfs/dbraw/zinc/32/29/58/815322958.db2.gz UYASILQMHJUVLG-UHFFFAOYSA-N -1 3 267.288 3.121 20 0 CGADHM O=C(Cc1ncccc1C(F)F)Nc1ccc(F)c([O-])c1 ZINC001178440854 809866894 /nfs/dbraw/zinc/86/68/94/809866894.db2.gz QEFQGPNRUVDHBW-UHFFFAOYSA-N -1 3 296.248 3.045 20 0 CGADHM CCc1cccc(C(=O)N2C[C@H]3[C@H]4C=C[C@H](C4)[C@@]3(C)C2)c1[O-] ZINC001179444531 809922070 /nfs/dbraw/zinc/92/20/70/809922070.db2.gz HLQCCBZTWARIGK-QMYADUOMSA-N -1 3 297.398 3.239 20 0 CGADHM CC[C@@H](CSC)N(C)Cc1ccc([O-])c(F)c1F ZINC001181534564 810058453 /nfs/dbraw/zinc/05/84/53/810058453.db2.gz MUJLXGQWEZEWSQ-JTQLQIEISA-N -1 3 275.364 3.244 20 0 CGADHM O=C(CCOCc1ccccc1)Nc1ccc(F)c([O-])c1 ZINC001183091976 810137510 /nfs/dbraw/zinc/13/75/10/810137510.db2.gz MYKOURLNYOVIRZ-UHFFFAOYSA-N -1 3 289.306 3.077 20 0 CGADHM Cc1c2ccccc2sc1CC(=O)Nc1cncc([O-])c1 ZINC001183241327 810142462 /nfs/dbraw/zinc/14/24/62/810142462.db2.gz MCPJAWXKPYLRRR-UHFFFAOYSA-N -1 3 298.367 3.492 20 0 CGADHM Cc1ccc([O-])c(NC(=O)N[C@@H](C)C2CCCCC2)n1 ZINC001186370998 810334690 /nfs/dbraw/zinc/33/46/90/810334690.db2.gz PXGZUEDCURYFSP-NSHDSACASA-N -1 3 277.368 3.186 20 0 CGADHM Cc1ccc(F)c(-c2noc(-c3ccc(F)c(=O)[n-]3)n2)c1 ZINC001214085558 815365834 /nfs/dbraw/zinc/36/58/34/815365834.db2.gz PYVUQQVGJILZNQ-UHFFFAOYSA-N -1 3 289.241 3.091 20 0 CGADHM Cc1ccc(NC(=O)NCC(F)(F)F)c(Cl)c1[O-] ZINC001187089240 810384253 /nfs/dbraw/zinc/38/42/53/810384253.db2.gz XBHARIWLZLTVQR-UHFFFAOYSA-N -1 3 282.649 3.038 20 0 CGADHM O=C(Nc1ncccc1[O-])c1cccnc1-c1ccccc1 ZINC001187811600 810426010 /nfs/dbraw/zinc/42/60/10/810426010.db2.gz GINMKKQBOVOPCR-UHFFFAOYSA-N -1 3 291.310 3.102 20 0 CGADHM Cc1cc(C)nc(C(=O)Nc2cc([O-])cc(Cl)c2)c1 ZINC001188144079 810458178 /nfs/dbraw/zinc/45/81/78/810458178.db2.gz LPNYVQBUMVZKPF-UHFFFAOYSA-N -1 3 276.723 3.310 20 0 CGADHM Cc1cccc([O-])c1C(=O)N(C)Cc1cnc(Cl)s1 ZINC001188640807 810497126 /nfs/dbraw/zinc/49/71/26/810497126.db2.gz ZKQIGHORMNEUPC-UHFFFAOYSA-N -1 3 296.779 3.083 20 0 CGADHM Cc1c2ccc(NC(=O)c3c(C)cccc3[O-])cc2nn1C ZINC001188648749 810498887 /nfs/dbraw/zinc/49/88/87/810498887.db2.gz MXKWFQKBDQOAPI-UHFFFAOYSA-N -1 3 295.342 3.148 20 0 CGADHM O=C(Nc1ccc(F)c([O-])c1)c1cccc(-c2cnco2)c1 ZINC001188957445 810527402 /nfs/dbraw/zinc/52/74/02/810527402.db2.gz WWOOSWOIWAVPHM-UHFFFAOYSA-N -1 3 298.273 3.439 20 0 CGADHM C=Cc1ccc(CNC(=O)c2ccc(=O)[n-]c2Cl)cc1 ZINC001190918620 810657006 /nfs/dbraw/zinc/65/70/06/810657006.db2.gz YTBGEFHFPIHRQL-UHFFFAOYSA-N -1 3 288.734 3.014 20 0 CGADHM O=C(Nc1cc([O-])cc(Cl)c1)Nc1ccccn1 ZINC001191341026 810703222 /nfs/dbraw/zinc/70/32/22/810703222.db2.gz MOCUIFSTTIPMAL-UHFFFAOYSA-N -1 3 263.684 3.085 20 0 CGADHM Cc1cc(NC(=O)NCc2ncccc2[O-])ccc1Cl ZINC001191779171 810738922 /nfs/dbraw/zinc/73/89/22/810738922.db2.gz OZZINSPNZGVJHB-UHFFFAOYSA-N -1 3 291.738 3.071 20 0 CGADHM CCCC[C@H](C)NC(=O)Nc1ccc([O-])c(F)c1 ZINC001193061993 810849520 /nfs/dbraw/zinc/84/95/20/810849520.db2.gz CRLYXKKAGLHXFT-VIFPVBQESA-N -1 3 254.305 3.232 20 0 CGADHM Cc1ccc([O-])c(NC(=O)N[C@H](C)c2ccc(F)cc2)n1 ZINC001193103530 810856144 /nfs/dbraw/zinc/85/61/44/810856144.db2.gz XMILEZDOYHLRAD-SNVBAGLBSA-N -1 3 289.310 3.117 20 0 CGADHM Cc1cc(F)cc(C(=O)Nc2ncccc2[O-])c1Cl ZINC001193287782 810869174 /nfs/dbraw/zinc/86/91/74/810869174.db2.gz FQYFJPMLOCFEPA-UHFFFAOYSA-N -1 3 280.686 3.140 20 0 CGADHM Cc1ncncc1Nc1c(Cl)ccc([O-])c1F ZINC001214556277 815423399 /nfs/dbraw/zinc/42/33/99/815423399.db2.gz OHXWCRLCPAOARY-UHFFFAOYSA-N -1 3 253.664 3.027 20 0 CGADHM CNC(=O)c1cccc(Nc2c(Cl)ccc([O-])c2F)c1 ZINC001214561595 815424660 /nfs/dbraw/zinc/42/46/60/815424660.db2.gz TVEJGXUKEKBUPV-UHFFFAOYSA-N -1 3 294.713 3.288 20 0 CGADHM Nc1cccc2c1N(c1c(Cl)ccc([O-])c1F)CC2 ZINC001214564631 815425712 /nfs/dbraw/zinc/42/57/12/815425712.db2.gz JBCHXVKUMNBUFR-UHFFFAOYSA-N -1 3 278.714 3.461 20 0 CGADHM O=C(Nc1ccc(F)c([O-])c1)c1ccc(C(F)F)nc1 ZINC001196093918 811317453 /nfs/dbraw/zinc/31/74/53/811317453.db2.gz YBPBTYGSUXNRPF-UHFFFAOYSA-N -1 3 282.221 3.116 20 0 CGADHM CCCOc1cc([N-]c2ncco2)c(Cl)cn1 ZINC001214730810 815446588 /nfs/dbraw/zinc/44/65/88/815446588.db2.gz GYAOEFPSLBHITI-UHFFFAOYSA-N -1 3 253.689 3.255 20 0 CGADHM [O-]c1cc(Cl)ccc1NC(=S)NC1CCCC1 ZINC001198549534 811514640 /nfs/dbraw/zinc/51/46/40/811514640.db2.gz PZCDLEUBNHTJEA-UHFFFAOYSA-N -1 3 270.785 3.275 20 0 CGADHM Cc1cc2cccc(C(=O)Nc3nc(C)ccc3[O-])c2[nH]1 ZINC001198558160 811515816 /nfs/dbraw/zinc/51/58/16/811515816.db2.gz HGALYWCLPXPRNW-UHFFFAOYSA-N -1 3 281.315 3.138 20 0 CGADHM C=CS(=O)(=O)[N-]c1cc(-c2ccccc2)ccc1OC ZINC001198556566 811516726 /nfs/dbraw/zinc/51/67/26/811516726.db2.gz XJYVLELWDMTHBQ-UHFFFAOYSA-N -1 3 289.356 3.247 20 0 CGADHM CC(=O)c1cccc([O-])c1NC(=S)Nc1ccccc1 ZINC001200840103 811752780 /nfs/dbraw/zinc/75/27/80/811752780.db2.gz LLJFPMFWCSMYMJ-UHFFFAOYSA-N -1 3 286.356 3.404 20 0 CGADHM CC(C)(C)NC(=S)Nc1ccc(C(F)(F)F)cc1[O-] ZINC001200908532 811764059 /nfs/dbraw/zinc/76/40/59/811764059.db2.gz ZCEYITCPEJNCID-UHFFFAOYSA-N -1 3 292.326 3.496 20 0 CGADHM Cc1nc(Nc2ccc(NC(C)C)cc2)cc(=O)[n-]1 ZINC001201487447 811859779 /nfs/dbraw/zinc/85/97/79/811859779.db2.gz ICGBWAKJUKHMMS-UHFFFAOYSA-N -1 3 258.325 3.055 20 0 CGADHM [O-]c1ccccc1-c1nc(-c2cnc3c(c2)CCCC3)no1 ZINC001215142296 815488121 /nfs/dbraw/zinc/48/81/21/815488121.db2.gz WJVDRVJRGLQMEE-UHFFFAOYSA-N -1 3 293.326 3.383 20 0 CGADHM CC(C)Oc1cncc(Nc2ncc(Cl)cc2[O-])c1 ZINC001201539832 811891943 /nfs/dbraw/zinc/89/19/43/811891943.db2.gz KROURKDEIHDHBV-UHFFFAOYSA-N -1 3 279.727 3.366 20 0 CGADHM O=C(Nc1cccc(F)c1)Nc1ncc([O-])cc1Cl ZINC001202222684 812042717 /nfs/dbraw/zinc/04/27/17/812042717.db2.gz LJWDXOJGKCXUNN-UHFFFAOYSA-N -1 3 281.674 3.224 20 0 CGADHM Cc1ccc(-c2noc(-c3c([O-])cccc3O)n2)c(C)c1 ZINC001215302192 815505140 /nfs/dbraw/zinc/50/51/40/815505140.db2.gz TYBFFTWUYROACM-UHFFFAOYSA-N -1 3 282.299 3.432 20 0 CGADHM Cc1ccc([N-]c2nnc(Br)s2)c(C)n1 ZINC001203363339 812324145 /nfs/dbraw/zinc/32/41/45/812324145.db2.gz PSQNPORTWUADTE-UHFFFAOYSA-N -1 3 285.170 3.056 20 0 CGADHM O=c1[n-]cncc1Nc1cncc(Oc2ccccc2)c1 ZINC001203557222 812391254 /nfs/dbraw/zinc/39/12/54/812391254.db2.gz SGAIDYUBEFOEEP-UHFFFAOYSA-N -1 3 280.287 3.113 20 0 CGADHM [O-]c1c(F)cc(Nc2ccc3cncnc3c2)cc1F ZINC001203707765 812434597 /nfs/dbraw/zinc/43/45/97/812434597.db2.gz PSQQCGYRIFQZSX-UHFFFAOYSA-N -1 3 273.242 3.357 20 0 CGADHM Cn1nc(C2CCC2)cc1Nc1cc(F)c([O-])cc1F ZINC001215572803 815538408 /nfs/dbraw/zinc/53/84/08/815538408.db2.gz XCVNCOIQNWQIGA-UHFFFAOYSA-N -1 3 279.290 3.415 20 0 CGADHM [O-]c1cc(F)c(Nc2cccnc2Cl)cc1F ZINC001215570848 815536341 /nfs/dbraw/zinc/53/63/41/815536341.db2.gz YBHNTJWZMXHCCL-UHFFFAOYSA-N -1 3 256.639 3.462 20 0 CGADHM Cc1ccc2c(c1)CN(Cc1ccc(C(=O)[O-])cc1)CC2 ZINC001204150392 812557117 /nfs/dbraw/zinc/55/71/17/812557117.db2.gz HRDMNNYXXDIJPO-UHFFFAOYSA-N -1 3 281.355 3.252 20 0 CGADHM CC(C)Cn1cnc(Nc2cc(F)c([O-])cc2F)c1 ZINC001215572478 815536993 /nfs/dbraw/zinc/53/69/93/815536993.db2.gz HXRQKWUXBOCARQ-UHFFFAOYSA-N -1 3 267.279 3.267 20 0 CGADHM Nc1ccc2nn(-c3cc(F)c([O-])cc3F)c(Cl)c2c1 ZINC001215571767 815537348 /nfs/dbraw/zinc/53/73/48/815537348.db2.gz MGCPOSPLITYMAO-UHFFFAOYSA-N -1 3 295.676 3.245 20 0 CGADHM Nc1ccc(-c2cnn(-c3cc(F)c([O-])cc3F)c2)cc1 ZINC001215574233 815538922 /nfs/dbraw/zinc/53/89/22/815538922.db2.gz NHTMTFXVFHZNHO-UHFFFAOYSA-N -1 3 287.269 3.105 20 0 CGADHM COCc1ccc(Cl)c(Nc2ncc(F)cc2[O-])c1 ZINC001215596459 815543567 /nfs/dbraw/zinc/54/35/67/815543567.db2.gz DAZLMOLPJASVKK-UHFFFAOYSA-N -1 3 282.702 3.470 20 0 CGADHM Cc1ccc2nc(-c3ccc([O-])cc3F)ccc2n1 ZINC001206029568 813171360 /nfs/dbraw/zinc/17/13/60/813171360.db2.gz CWTWIRUWABCCCS-UHFFFAOYSA-N -1 3 254.264 3.450 20 0 CGADHM Nc1cc(-c2ccc([O-])cc2F)nc(C(F)(F)F)c1 ZINC001206030203 813172475 /nfs/dbraw/zinc/17/24/75/813172475.db2.gz PPJQKXKBVWWUHE-UHFFFAOYSA-N -1 3 272.201 3.194 20 0 CGADHM CSc1ncc2ccc(-c3ccc([O-])cc3F)nc2n1 ZINC001206038157 813177353 /nfs/dbraw/zinc/17/73/53/813177353.db2.gz SNISFTPXSPRDAX-UHFFFAOYSA-N -1 3 287.319 3.258 20 0 CGADHM [O-]c1ccc(-c2cc(OC(F)(F)F)ccn2)c(F)c1 ZINC001206044101 813179984 /nfs/dbraw/zinc/17/99/84/813179984.db2.gz DQVBRCKYOKZDOO-UHFFFAOYSA-N -1 3 273.185 3.492 20 0 CGADHM Cc1ccc(C=Cc2ccc(-c3nn[n-]n3)c(F)c2)cc1 ZINC001206169422 813223781 /nfs/dbraw/zinc/22/37/81/813223781.db2.gz YZJWDQMLDQEILV-VOTSOKGWSA-N -1 3 280.306 3.485 20 0 CGADHM Cc1ccc(/C=C/c2ccc(-c3nn[n-]n3)c(F)c2)cc1 ZINC001206169422 813223786 /nfs/dbraw/zinc/22/37/86/813223786.db2.gz YZJWDQMLDQEILV-VOTSOKGWSA-N -1 3 280.306 3.485 20 0 CGADHM Cc1cc2[nH]ccc2c(-c2csc(C(=O)[O-])c2)n1 ZINC001206250696 813255993 /nfs/dbraw/zinc/25/59/93/813255993.db2.gz RSUMHUAYKJPJFV-UHFFFAOYSA-N -1 3 258.302 3.298 20 0 CGADHM [O-]c1ccc(Nc2cc(O)cc(F)c2)c(F)c1F ZINC001206798163 813438274 /nfs/dbraw/zinc/43/82/74/813438274.db2.gz BVDVPOXBZQZJRC-UHFFFAOYSA-N -1 3 255.195 3.259 20 0 CGADHM COc1cc(C)c(Nc2cc(F)c([O-])cc2F)cn1 ZINC001209871920 814180439 /nfs/dbraw/zinc/18/04/39/814180439.db2.gz NIYNLUWAOATNRB-UHFFFAOYSA-N -1 3 266.247 3.126 20 0 CGADHM Cc1cc(Nc2cc([O-])c(F)cc2F)ccc1O ZINC001209974758 814225470 /nfs/dbraw/zinc/22/54/70/814225470.db2.gz CTYZMTMPPQYZLR-UHFFFAOYSA-N -1 3 251.232 3.428 20 0 CGADHM [O-]c1cc(F)cnc1Nc1ccc2cccnc2c1 ZINC001210054229 814266405 /nfs/dbraw/zinc/26/64/05/814266405.db2.gz ABPZVNYNUGMZNC-UHFFFAOYSA-N -1 3 255.252 3.218 20 0 CGADHM Cc1cc2n[nH]cc2cc1Nc1ncc(Cl)cc1[O-] ZINC001210100553 814285923 /nfs/dbraw/zinc/28/59/23/814285923.db2.gz RIQRZAPULYFQJQ-UHFFFAOYSA-N -1 3 274.711 3.369 20 0 CGADHM [O-]c1c(Cl)cccc1Nc1cnn2ccccc12 ZINC001210218784 814346119 /nfs/dbraw/zinc/34/61/19/814346119.db2.gz DHUSQZGJBIZHQD-UHFFFAOYSA-N -1 3 259.696 3.437 20 0 CGADHM COc1ncc(Nc2nc3c(cccc3[O-])s2)cc1C ZINC001210313574 814398209 /nfs/dbraw/zinc/39/82/09/814398209.db2.gz DIMVBLCPKRRRRT-UHFFFAOYSA-N -1 3 287.344 3.458 20 0 CGADHM CC(C)n1cc(Nc2cc(=O)n(-c3ccccc3)[n-]2)cn1 ZINC001210320262 814404133 /nfs/dbraw/zinc/40/41/33/814404133.db2.gz XNVOTWXJTUGESM-UHFFFAOYSA-N -1 3 283.335 3.099 20 0 CGADHM CC(=O)c1cc(Nc2ccc(C)c([O-])c2Cl)ccn1 ZINC001210597349 814546994 /nfs/dbraw/zinc/54/69/94/814546994.db2.gz HFVHLKBMUAHGQA-UHFFFAOYSA-N -1 3 276.723 3.117 20 0 CGADHM [O-]c1cc(F)cnc1Nc1cnc2sccc2c1 ZINC001210692145 814585985 /nfs/dbraw/zinc/58/59/85/814585985.db2.gz JDWLRTCRJDMFPW-UHFFFAOYSA-N -1 3 261.281 3.280 20 0 CGADHM Cc1ccc(Nc2cnc[n-]c2=O)cc1C(F)(F)F ZINC001210685954 814586026 /nfs/dbraw/zinc/58/60/26/814586026.db2.gz UPCXLLGQYHPWNQ-UHFFFAOYSA-N -1 3 269.226 3.253 20 0 CGADHM Fc1ccc(-c2ccc3ccccc3n2)cc1-c1nnn[n-]1 ZINC001242775829 823129768 /nfs/dbraw/zinc/12/97/68/823129768.db2.gz ARLBGHDQVHFIED-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Fc1ccc(-c2ccc3ccccc3n2)cc1-c1nn[n-]n1 ZINC001242775829 823129771 /nfs/dbraw/zinc/12/97/71/823129771.db2.gz ARLBGHDQVHFIED-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Cc1c[nH]c(=O)c(Nc2cccc([O-])c2Cl)c1 ZINC001210851566 814650498 /nfs/dbraw/zinc/65/04/98/814650498.db2.gz CONMEWNYVQHEKH-UHFFFAOYSA-N -1 3 250.685 3.198 20 0 CGADHM [O-]c1cccc(Nc2cnc3ccc(Cl)nn32)c1Cl ZINC001210851766 814651145 /nfs/dbraw/zinc/65/11/45/814651145.db2.gz JGJLGKACXHWFQJ-UHFFFAOYSA-N -1 3 295.129 3.485 20 0 CGADHM Nc1ccc(O)c(Nc2cccc([O-])c2Cl)c1 ZINC001210855399 814651943 /nfs/dbraw/zinc/65/19/43/814651943.db2.gz YNJSQNYAMPSZTG-UHFFFAOYSA-N -1 3 250.685 3.077 20 0 CGADHM Cc1ccc(Nc2cccc([O-])c2Cl)c(C(N)=O)c1 ZINC001210855272 814652092 /nfs/dbraw/zinc/65/20/92/814652092.db2.gz VGXZYJZTVUUIGW-UHFFFAOYSA-N -1 3 276.723 3.197 20 0 CGADHM CC(=O)Nc1cncc(Nc2cccc([O-])c2Cl)c1 ZINC001210855521 814652132 /nfs/dbraw/zinc/65/21/32/814652132.db2.gz SZKGKLLLDZKJEO-UHFFFAOYSA-N -1 3 277.711 3.143 20 0 CGADHM Cc1c2ccc(N)cc2nn1-c1cccc([O-])c1Cl ZINC001210854584 814652179 /nfs/dbraw/zinc/65/21/79/814652179.db2.gz GDKGVAKNWGYRHP-UHFFFAOYSA-N -1 3 273.723 3.275 20 0 CGADHM Cn1nc2c(c1Nc1cccc([O-])c1Cl)CCCC2 ZINC001210853874 814652581 /nfs/dbraw/zinc/65/25/81/814652581.db2.gz NRDNKLDUODHUNJ-UHFFFAOYSA-N -1 3 277.755 3.402 20 0 CGADHM Cc1nnc([N-]c2ccccc2N2CCCCC2)o1 ZINC001210957984 814691734 /nfs/dbraw/zinc/69/17/34/814691734.db2.gz NRHDWSCUGDWNPM-UHFFFAOYSA-N -1 3 258.325 3.112 20 0 CGADHM COCc1cncc(Nc2cccc([O-])c2Cl)c1 ZINC001211080438 814737236 /nfs/dbraw/zinc/73/72/36/814737236.db2.gz ZVIJGTYRFCBWRE-UHFFFAOYSA-N -1 3 264.712 3.331 20 0 CGADHM COc1cccc(Nc2cccc([O-])c2Cl)n1 ZINC001211300273 814874280 /nfs/dbraw/zinc/87/42/80/814874280.db2.gz FMVNEOZEEBOCFV-UHFFFAOYSA-N -1 3 250.685 3.193 20 0 CGADHM CN(C)c1ccc(Nc2ncc(F)cc2[O-])cc1Cl ZINC001216058280 815676649 /nfs/dbraw/zinc/67/66/49/815676649.db2.gz FEMHAWSIBQQFIJ-UHFFFAOYSA-N -1 3 281.718 3.389 20 0 CGADHM Cc1ncc(Nc2cccc(-c3ccncc3)c2)c(=O)[n-]1 ZINC001216147140 815713537 /nfs/dbraw/zinc/71/35/37/815713537.db2.gz ULHCTQAIVHLBCW-UHFFFAOYSA-N -1 3 278.315 3.296 20 0 CGADHM [O-]c1cc(F)cnc1Nc1cc(F)ccc1Cl ZINC001216478209 815836108 /nfs/dbraw/zinc/83/61/08/815836108.db2.gz MONSPVJPYHZYDS-UHFFFAOYSA-N -1 3 256.639 3.462 20 0 CGADHM Cc1cncc(-c2noc(-c3cc([O-])cc(Cl)c3)n2)c1 ZINC001216702075 815895075 /nfs/dbraw/zinc/89/50/75/815895075.db2.gz ILFRNPSXWFPBBK-UHFFFAOYSA-N -1 3 287.706 3.466 20 0 CGADHM [O-]c1cc(Cl)cc(-c2nc(-c3ccccn3)no2)c1 ZINC001216702648 815895306 /nfs/dbraw/zinc/89/53/06/815895306.db2.gz ZHYKDEQGEPSSMG-UHFFFAOYSA-N -1 3 273.679 3.158 20 0 CGADHM COc1ccc(-c2nnn[n-]2)cc1-c1ccccc1SC ZINC001242946007 823183366 /nfs/dbraw/zinc/18/33/66/823183366.db2.gz MUJJPMFZAIIDDL-UHFFFAOYSA-N -1 3 298.371 3.264 20 0 CGADHM COc1ccc(-c2nn[n-]n2)cc1-c1ccccc1SC ZINC001242946007 823183367 /nfs/dbraw/zinc/18/33/67/823183367.db2.gz MUJJPMFZAIIDDL-UHFFFAOYSA-N -1 3 298.371 3.264 20 0 CGADHM S=c1[n-]c2c(cccc2O[C@@H]2CNCc3ccccc32)o1 ZINC001218491182 816244951 /nfs/dbraw/zinc/24/49/51/816244951.db2.gz UITZHZRUKCNCMQ-CQSZACIVSA-N -1 3 298.367 3.340 20 0 CGADHM COCc1cncc(-c2ccc3c(c2)[N-]C(=S)C3)c1 ZINC001242957625 823188951 /nfs/dbraw/zinc/18/89/51/823188951.db2.gz RRIQGMQHIFUJBM-UHFFFAOYSA-N -1 3 270.357 3.190 20 0 CGADHM Clc1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC001222426828 816442958 /nfs/dbraw/zinc/44/29/58/816442958.db2.gz BQUGQYVFRMFELN-UHFFFAOYSA-N -1 3 256.696 3.187 20 0 CGADHM Clc1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC001222426828 816442962 /nfs/dbraw/zinc/44/29/62/816442962.db2.gz BQUGQYVFRMFELN-UHFFFAOYSA-N -1 3 256.696 3.187 20 0 CGADHM O=C1Nc2cc(-c3ccc(F)c([O-])c3)ccc2C12CC2 ZINC001243045897 823222932 /nfs/dbraw/zinc/22/29/32/823222932.db2.gz AULVLHBRFKYTPO-UHFFFAOYSA-N -1 3 269.275 3.182 20 0 CGADHM Cn1ccc2cc(-c3ccc(F)c([O-])c3)ccc2c1=O ZINC001243047192 823224619 /nfs/dbraw/zinc/22/46/19/823224619.db2.gz DSFWTZATSRSTQQ-UHFFFAOYSA-N -1 3 269.275 3.050 20 0 CGADHM COC(=O)c1c(F)cccc1-c1ccc(F)c([O-])c1 ZINC001243060918 823232333 /nfs/dbraw/zinc/23/23/33/823232333.db2.gz ARWABNZSLFUXKQ-UHFFFAOYSA-N -1 3 264.227 3.124 20 0 CGADHM C[C@H](COc1ccccc1)Oc1ccc2c([O-])coc2c1 ZINC001225343216 817019729 /nfs/dbraw/zinc/01/97/29/817019729.db2.gz SDAMGTMHRYQOJQ-GFCCVEGCSA-N -1 3 284.311 3.108 20 0 CGADHM CC[C@H](C)[C@H](C)Oc1nc(=O)[n-]cc1C(F)(F)F ZINC001225580352 817099377 /nfs/dbraw/zinc/09/93/77/817099377.db2.gz ZCSPNLNEPPDVLQ-BQBZGAKWSA-N -1 3 264.247 3.014 20 0 CGADHM CC[C@H](C)[C@@H](C)Oc1nc(=O)[n-]cc1C(F)(F)F ZINC001225580353 817099596 /nfs/dbraw/zinc/09/95/96/817099596.db2.gz ZCSPNLNEPPDVLQ-NKWVEPMBSA-N -1 3 264.247 3.014 20 0 CGADHM Cc1cnc(=S)[n-]c1O[C@H](C)c1cccnc1Cl ZINC001225743589 817163851 /nfs/dbraw/zinc/16/38/51/817163851.db2.gz YBCMVTKTCSZOHW-MRVPVSSYSA-N -1 3 281.768 3.262 20 0 CGADHM C[C@@H]1CC[C@H](Oc2cc(C(F)(F)F)[n-]c(=S)n2)C1 ZINC001225854525 817196128 /nfs/dbraw/zinc/19/61/28/817196128.db2.gz VHBYPTNVYINRSO-RQJHMYQMSA-N -1 3 278.299 3.352 20 0 CGADHM CC[C@@H](Oc1nc[n-]c(=O)c1C)c1ccccc1F ZINC001226074668 817265683 /nfs/dbraw/zinc/26/56/83/817265683.db2.gz DCFPUMUUNMHECW-GFCCVEGCSA-N -1 3 262.284 3.160 20 0 CGADHM Cc1ccc([C@H](C)Oc2nc[n-]c(=O)c2C)c(C)c1 ZINC001226077759 817267100 /nfs/dbraw/zinc/26/71/00/817267100.db2.gz VZRPTSCBTLXEFQ-LBPRGKRZSA-N -1 3 258.321 3.247 20 0 CGADHM CC1(C)CC(=O)CC[C@@H]1Oc1[n-]c(=S)ncc1C1CC1 ZINC001226119786 817278475 /nfs/dbraw/zinc/27/84/75/817278475.db2.gz OBXZRFCDRWEZSW-LBPRGKRZSA-N -1 3 292.404 3.169 20 0 CGADHM O=c1cc(O[C@H]2CCC(F)(F)C2)nc(-c2ccccc2)[n-]1 ZINC001226185467 817294194 /nfs/dbraw/zinc/29/41/94/817294194.db2.gz WVXXFPSENMRMKZ-NSHDSACASA-N -1 3 292.285 3.416 20 0 CGADHM CC(=O)c1ccc([O-])c(O[C@H]2CCCC[C@H]2C)c1O ZINC001226478074 817369788 /nfs/dbraw/zinc/36/97/88/817369788.db2.gz CQTXRTOISJAOEZ-RNCFNFMXSA-N -1 3 264.321 3.258 20 0 CGADHM CC(=O)c1ccc([O-])c(O[C@@H]2CCc3ccccc3C2)c1O ZINC001226482299 817371267 /nfs/dbraw/zinc/37/12/67/817371267.db2.gz MIAZRPSVBYAITB-CQSZACIVSA-N -1 3 298.338 3.237 20 0 CGADHM O=c1ccc2ccc([O-])c(O[C@@H]3CCCC[C@H]3F)c2o1 ZINC001226598300 817409089 /nfs/dbraw/zinc/40/90/89/817409089.db2.gz CPSMSQGHSLDQIT-ZYHUDNBSSA-N -1 3 278.279 3.158 20 0 CGADHM CCC[C@H](Oc1cccc([O-])c1Cl)C(=O)OCC ZINC001226710963 817441624 /nfs/dbraw/zinc/44/16/24/817441624.db2.gz FSGQLVRGAQYEEQ-NSHDSACASA-N -1 3 272.728 3.156 20 0 CGADHM CCCCOC(=O)[C@H](C)Oc1cccc([O-])c1Cl ZINC001226709784 817441929 /nfs/dbraw/zinc/44/19/29/817441929.db2.gz SIHMDHJDEKEEAC-VIFPVBQESA-N -1 3 272.728 3.156 20 0 CGADHM CCOC(=O)[C@@H]1CCC[C@H]1Oc1cccc([O-])c1Cl ZINC001226710969 817442334 /nfs/dbraw/zinc/44/23/34/817442334.db2.gz FVVNRZUSAYZHBO-MWLCHTKSSA-N -1 3 284.739 3.156 20 0 CGADHM CC(C)(C)OC(=O)N1CC(Oc2cccc([O-])c2Cl)C1 ZINC001226713127 817443793 /nfs/dbraw/zinc/44/37/93/817443793.db2.gz ZEZNFTWYSAMPHY-UHFFFAOYSA-N -1 3 299.754 3.044 20 0 CGADHM C[C@H](CCc1ccccc1)Oc1ccnc(=S)[n-]1 ZINC001226938528 817509779 /nfs/dbraw/zinc/50/97/79/817509779.db2.gz ALTBCYFCODXZDY-LLVKDONJSA-N -1 3 260.362 3.165 20 0 CGADHM CCC[C@@H](Oc1[n-]c(=O)nc2nccnc21)c1ccccc1 ZINC001226988926 817527496 /nfs/dbraw/zinc/52/74/96/817527496.db2.gz BYHXAUJTCHTIJO-GFCCVEGCSA-N -1 3 296.330 3.046 20 0 CGADHM C[C@H](Oc1cc(=O)cc(C(F)(F)F)[n-]1)c1cccnc1 ZINC001227586380 817676186 /nfs/dbraw/zinc/67/61/86/817676186.db2.gz KIWOGSRXJOCKMI-QMMMGPOBSA-N -1 3 284.237 3.341 20 0 CGADHM CCCCC[C@@H](CC)Oc1nc(C(=O)OC)ccc1[O-] ZINC001227819611 817726902 /nfs/dbraw/zinc/72/69/02/817726902.db2.gz CVOIOYJXHWCHAL-LLVKDONJSA-N -1 3 281.352 3.312 20 0 CGADHM COC(C)(C)C[C@@H](C)Oc1ncc(Cl)cc1[O-] ZINC001227983944 817773043 /nfs/dbraw/zinc/77/30/43/817773043.db2.gz XGNAGCKPNGNCHM-MRVPVSSYSA-N -1 3 259.733 3.023 20 0 CGADHM Cc1ccc([C@H](C)Oc2[n-]c(=O)nc3cccnc32)cc1 ZINC001228004334 817780975 /nfs/dbraw/zinc/78/09/75/817780975.db2.gz JRQMUNJDQKBVPF-NSHDSACASA-N -1 3 281.315 3.179 20 0 CGADHM Cc1cc(=O)oc2c1ccc([O-])c2O[C@@H]1CCC[C@@H]1C ZINC001228630066 817956519 /nfs/dbraw/zinc/95/65/19/817956519.db2.gz PPIKMHAQJIGGKH-TVQRCGJNSA-N -1 3 274.316 3.374 20 0 CGADHM CCCCC[C@H](C)Oc1nnc(-c2cccnc2)[n-]1 ZINC001228693666 817975877 /nfs/dbraw/zinc/97/58/77/817975877.db2.gz BYXACEBTDCGWNH-NSHDSACASA-N -1 3 260.341 3.214 20 0 CGADHM CCCCC[C@H](C)Oc1nc(-c2cccnc2)n[n-]1 ZINC001228693666 817975882 /nfs/dbraw/zinc/97/58/82/817975882.db2.gz BYXACEBTDCGWNH-NSHDSACASA-N -1 3 260.341 3.214 20 0 CGADHM CCCCC[C@H](C)Oc1n[n-]c(-c2cccnc2)n1 ZINC001228693666 817975890 /nfs/dbraw/zinc/97/58/90/817975890.db2.gz BYXACEBTDCGWNH-NSHDSACASA-N -1 3 260.341 3.214 20 0 CGADHM C[C@H](Oc1n[n-]c(-c2ccncc2)n1)c1ccc(F)cc1 ZINC001228696649 817976963 /nfs/dbraw/zinc/97/69/63/817976963.db2.gz BCZUTYCUSSKLCX-JTQLQIEISA-N -1 3 284.294 3.146 20 0 CGADHM COc1ccc([C@H](C)Oc2n[n-]c(-c3ccncc3)n2)cc1 ZINC001228697318 817978219 /nfs/dbraw/zinc/97/82/19/817978219.db2.gz JMSDUFJCDIQLNV-NSHDSACASA-N -1 3 296.330 3.015 20 0 CGADHM CC[C@H]1CC[C@H](Oc2n[n-]c(-c3ccncc3)n2)CC1 ZINC001228700628 817979364 /nfs/dbraw/zinc/97/93/64/817979364.db2.gz UUPYBSVLGFSZCL-AULYBMBSSA-N -1 3 272.352 3.214 20 0 CGADHM C[C@H](Oc1cc2c(cc1[O-])CCC2=O)c1cccnc1F ZINC001228854256 818024074 /nfs/dbraw/zinc/02/40/74/818024074.db2.gz PPFKJFKXGAKGAD-VIFPVBQESA-N -1 3 287.290 3.195 20 0 CGADHM C[C@@H](Oc1cc2c(cc1[O-])CCC2=O)c1ccco1 ZINC001228856233 818024819 /nfs/dbraw/zinc/02/48/19/818024819.db2.gz ZYCXZGQRIRXTLA-SECBINFHSA-N -1 3 258.273 3.254 20 0 CGADHM Cc1ccc2c(c1)[C@@H](Oc1cccc(-c3nnn[n-]3)c1)CC2 ZINC001231117233 818034282 /nfs/dbraw/zinc/03/42/82/818034282.db2.gz YAXNOEYFIPEFSW-INIZCTEOSA-N -1 3 292.342 3.241 20 0 CGADHM Cc1ccc2c(c1)[C@@H](Oc1cccc(-c3nn[n-]n3)c1)CC2 ZINC001231117233 818034286 /nfs/dbraw/zinc/03/42/86/818034286.db2.gz YAXNOEYFIPEFSW-INIZCTEOSA-N -1 3 292.342 3.241 20 0 CGADHM CCCOC1CCN(Cc2ccc(Cl)c([O-])c2)CC1 ZINC001231734073 818163125 /nfs/dbraw/zinc/16/31/25/818163125.db2.gz PNPGULFSAQRMSC-UHFFFAOYSA-N -1 3 283.799 3.437 20 0 CGADHM [O-]c1c(F)ccc(CN2CC[C@@H](c3ccccn3)C2)c1F ZINC001232935568 818477095 /nfs/dbraw/zinc/47/70/95/818477095.db2.gz UCUKKLNCMTZBRA-LLVKDONJSA-N -1 3 290.313 3.055 20 0 CGADHM [O-]c1cc(CN2CC[C@@H]3CCC[C@@H]3C2)cc(F)c1F ZINC001232971058 818488299 /nfs/dbraw/zinc/48/82/99/818488299.db2.gz SKHVLBOKKGXQLW-NWDGAFQWSA-N -1 3 267.319 3.292 20 0 CGADHM C[C@H]1CCN(Cc2cc([O-])c(F)c(F)c2)[C@@H](C)C1 ZINC001232973436 818490435 /nfs/dbraw/zinc/49/04/35/818490435.db2.gz YAPWMXBISVNKIU-UWVGGRQHSA-N -1 3 255.308 3.291 20 0 CGADHM [O-]c1cccc(CN2Cc3ccc(F)cc3C2)c1F ZINC001233052228 818512184 /nfs/dbraw/zinc/51/21/84/818512184.db2.gz ALAXMTWYGJZLQI-UHFFFAOYSA-N -1 3 261.271 3.186 20 0 CGADHM Clc1cc2n[nH]cc2c(-c2cccc(-c3nnn[n-]3)c2)c1 ZINC001243316658 823343414 /nfs/dbraw/zinc/34/34/14/823343414.db2.gz PRZYISILMRBUKV-UHFFFAOYSA-N -1 3 296.721 3.063 20 0 CGADHM Clc1cc2n[nH]cc2c(-c2cccc(-c3nn[n-]n3)c2)c1 ZINC001243316658 823343420 /nfs/dbraw/zinc/34/34/20/823343420.db2.gz PRZYISILMRBUKV-UHFFFAOYSA-N -1 3 296.721 3.063 20 0 CGADHM COc1ccc(CN2CCC(F)(F)CC2)c(Cl)c1[O-] ZINC001233398077 818610209 /nfs/dbraw/zinc/61/02/09/818610209.db2.gz XJLLWWQJXZWMME-UHFFFAOYSA-N -1 3 291.725 3.285 20 0 CGADHM COc1ccc(CN(C)Cc2cncs2)c(Cl)c1[O-] ZINC001233402003 818611890 /nfs/dbraw/zinc/61/18/90/818611890.db2.gz XPWCGRNNNUGICY-UHFFFAOYSA-N -1 3 298.795 3.143 20 0 CGADHM C[C@@H]1CC[C@H](Oc2ccc3occ([O-])c3c2)C[C@@H]1C ZINC001233677696 818677200 /nfs/dbraw/zinc/67/72/00/818677200.db2.gz NBBAYTGRZNMMHA-WOPDTQHZSA-N -1 3 260.333 3.465 20 0 CGADHM CC(C)CCC[C@H](C)Oc1cccc([O-])c1C(N)=O ZINC001234149611 818792478 /nfs/dbraw/zinc/79/24/78/818792478.db2.gz PNWRYTXQVZOUIC-NSHDSACASA-N -1 3 265.353 3.085 20 0 CGADHM COC[C@H](C)OC[C@H](C)Oc1c(Cl)ccc([O-])c1F ZINC001234262786 818820066 /nfs/dbraw/zinc/82/00/66/818820066.db2.gz HKQMMLUFHIAPBS-IUCAKERBSA-N -1 3 292.734 3.004 20 0 CGADHM COc1cccc([C@H](C)Oc2nc3c(cccc3[O-])[nH]2)c1 ZINC001234447278 818857714 /nfs/dbraw/zinc/85/77/14/818857714.db2.gz MHRXGVCIRHIKRL-JTQLQIEISA-N -1 3 284.315 3.417 20 0 CGADHM C[C@@H](Cc1ccco1)Oc1nc[n-]c(=O)c1-c1ccccc1 ZINC001234693291 818918454 /nfs/dbraw/zinc/91/84/54/818918454.db2.gz VVJGHXJSQKZENB-LBPRGKRZSA-N -1 3 296.326 3.452 20 0 CGADHM CCCCOC[C@H](C)Oc1nc2ccsc2[n-]1 ZINC001234848633 818933434 /nfs/dbraw/zinc/93/34/34/818933434.db2.gz RPZOFAJUWRGPOF-VIFPVBQESA-N -1 3 254.355 3.208 20 0 CGADHM CCCCOC[C@H](C)Oc1nc2sccc2[n-]1 ZINC001234848633 818933438 /nfs/dbraw/zinc/93/34/38/818933438.db2.gz RPZOFAJUWRGPOF-VIFPVBQESA-N -1 3 254.355 3.208 20 0 CGADHM Cc1nc(-c2cc([O-])cc(Cl)c2)cc(N2CCCC2)n1 ZINC001235900758 819210968 /nfs/dbraw/zinc/21/09/68/819210968.db2.gz XQBFOMCQBALWPI-UHFFFAOYSA-N -1 3 289.766 3.411 20 0 CGADHM [O-]c1cc(Cl)cc(-c2ncnc3cccnc32)c1 ZINC001235900177 819211354 /nfs/dbraw/zinc/21/13/54/819211354.db2.gz UINUCYJWYJWOHB-UHFFFAOYSA-N -1 3 257.680 3.051 20 0 CGADHM [O-]c1c(F)cc(F)c(-c2cccn3cncc23)c1F ZINC001236002545 819269082 /nfs/dbraw/zinc/26/90/82/819269082.db2.gz PDABZHOCQYDODN-UHFFFAOYSA-N -1 3 264.206 3.124 20 0 CGADHM COc1ccc2c(c1)CN(Cc1sc(=O)[n-]c1Cl)C2 ZINC001237150322 819679926 /nfs/dbraw/zinc/67/99/26/819679926.db2.gz FEZWVYBYUFXYFE-UHFFFAOYSA-N -1 3 296.779 3.027 20 0 CGADHM O=c1[n-]c(Cl)c(CN2CC[C@H]2c2ccccc2)s1 ZINC001237166632 819686565 /nfs/dbraw/zinc/68/65/65/819686565.db2.gz TVQYVJGZPOFIQC-JTQLQIEISA-N -1 3 280.780 3.449 20 0 CGADHM CN(Cc1occc1[S-])Cc1ccc(F)cc1F ZINC001237181167 819690335 /nfs/dbraw/zinc/69/03/35/819690335.db2.gz FOJRLSZAJBIXBI-UHFFFAOYSA-N -1 3 269.316 3.479 20 0 CGADHM Cc1cccc2c1CN(Cc1cc([O-])cc(F)c1)C2 ZINC001237277461 819715167 /nfs/dbraw/zinc/71/51/67/819715167.db2.gz NJDJLHFMMJCZAD-UHFFFAOYSA-N -1 3 257.308 3.356 20 0 CGADHM C[C@]1(CF)CC(F)(F)CN1Cc1cc([O-])cc(F)c1 ZINC001237277990 819715383 /nfs/dbraw/zinc/71/53/83/819715383.db2.gz UDPPJHXGRQWACU-GFCCVEGCSA-N -1 3 277.261 3.101 20 0 CGADHM CCOc1c(F)cccc1-c1cccc(-c2nnn[n-]2)c1 ZINC001243536093 823433498 /nfs/dbraw/zinc/43/34/98/823433498.db2.gz NKCNZJNMLWSQEA-UHFFFAOYSA-N -1 3 284.294 3.072 20 0 CGADHM CCOc1c(F)cccc1-c1cccc(-c2nn[n-]n2)c1 ZINC001243536093 823433500 /nfs/dbraw/zinc/43/35/00/823433500.db2.gz NKCNZJNMLWSQEA-UHFFFAOYSA-N -1 3 284.294 3.072 20 0 CGADHM COC(=O)c1cc(C)ccc1-c1cccc([O-])c1F ZINC001243547924 823440384 /nfs/dbraw/zinc/44/03/84/823440384.db2.gz WJEBJMHGTRJJBE-UHFFFAOYSA-N -1 3 260.264 3.293 20 0 CGADHM CCOC(=O)c1c(C)ccnc1-c1cccc([O-])c1F ZINC001243543152 823436670 /nfs/dbraw/zinc/43/66/70/823436670.db2.gz QXWYXNQVKIYKMO-UHFFFAOYSA-N -1 3 275.279 3.078 20 0 CGADHM CO[C@H]1CCCN(Cc2cc(F)c([O-])c(Cl)c2)CC1 ZINC001237998338 819907063 /nfs/dbraw/zinc/90/70/63/819907063.db2.gz UIHCCMQEFBZFNJ-NSHDSACASA-N -1 3 287.762 3.186 20 0 CGADHM Cc1nc(C2CC2)nc(-c2cccc([O-])c2F)c1F ZINC001243544182 823437298 /nfs/dbraw/zinc/43/72/98/823437298.db2.gz MTVJPDFNLGCZII-UHFFFAOYSA-N -1 3 262.259 3.313 20 0 CGADHM COc1nc2[nH]ccc2cc1-c1cccc([O-])c1F ZINC001243545366 823437892 /nfs/dbraw/zinc/43/78/92/823437892.db2.gz GWCQUVFXATZPHP-UHFFFAOYSA-N -1 3 258.252 3.035 20 0 CGADHM CC(=O)Nc1ccc(-c2cccc([O-])c2F)cc1F ZINC001243545100 823438282 /nfs/dbraw/zinc/43/82/82/823438282.db2.gz RFPCCCIBOLEZJL-UHFFFAOYSA-N -1 3 263.243 3.296 20 0 CGADHM COC(=O)c1cccc(C)c1-c1cccc([O-])c1F ZINC001243545750 823438288 /nfs/dbraw/zinc/43/82/88/823438288.db2.gz ADUYSRMLNBVSHW-UHFFFAOYSA-N -1 3 260.264 3.293 20 0 CGADHM COCOc1ccc(OC)cc1-c1cccc([O-])c1F ZINC001243546327 823438771 /nfs/dbraw/zinc/43/87/71/823438771.db2.gz ZSPHBZUCMPWSAZ-UHFFFAOYSA-N -1 3 278.279 3.190 20 0 CGADHM [O-]c1cccc(-c2ccc3ncnn3c2C(F)(F)F)c1F ZINC001243549287 823440727 /nfs/dbraw/zinc/44/07/27/823440727.db2.gz VGVAQRYYVQVVPV-UHFFFAOYSA-N -1 3 297.211 3.260 20 0 CGADHM [O-]c1cccc(-c2ccc(C3OCCO3)c(F)c2)c1F ZINC001243547109 823439579 /nfs/dbraw/zinc/43/95/79/823439579.db2.gz MASPTJPROVDMQP-UHFFFAOYSA-N -1 3 278.254 3.383 20 0 CGADHM O=C1c2ccc(-c3cccc([O-])c3F)cc2CN1C1CC1 ZINC001243547245 823439946 /nfs/dbraw/zinc/43/99/46/823439946.db2.gz OTWPVAVQVOUWRU-UHFFFAOYSA-N -1 3 283.302 3.317 20 0 CGADHM COC(=O)c1ccc(-c2cccc([O-])c2F)cc1C ZINC001243546966 823439975 /nfs/dbraw/zinc/43/99/75/823439975.db2.gz SGRXOTYBDNDRCI-UHFFFAOYSA-N -1 3 260.264 3.293 20 0 CGADHM c1ccc2ncc(-c3ccc(-c4nnn[n-]4)cc3)cc2c1 ZINC001239793968 820609415 /nfs/dbraw/zinc/60/94/15/820609415.db2.gz UJQBGPOZPVATGP-UHFFFAOYSA-N -1 3 273.299 3.082 20 0 CGADHM c1ccc2ncc(-c3ccc(-c4nn[n-]n4)cc3)cc2c1 ZINC001239793968 820609420 /nfs/dbraw/zinc/60/94/20/820609420.db2.gz UJQBGPOZPVATGP-UHFFFAOYSA-N -1 3 273.299 3.082 20 0 CGADHM Cc1cc(-c2nnn[n-]2)ccc1-c1ccnc2ccccc21 ZINC001239855337 820660806 /nfs/dbraw/zinc/66/08/06/820660806.db2.gz ZWNHXKBGBAWXEE-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM Cc1cc(-c2nn[n-]n2)ccc1-c1ccnc2ccccc21 ZINC001239855337 820660810 /nfs/dbraw/zinc/66/08/10/820660810.db2.gz ZWNHXKBGBAWXEE-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM c1ccc2c(c1)cncc2-c1cccc(-c2nnn[n-]2)c1 ZINC001239947512 820729352 /nfs/dbraw/zinc/72/93/52/820729352.db2.gz VIXJETGOSQGUDH-UHFFFAOYSA-N -1 3 273.299 3.082 20 0 CGADHM c1ccc2c(c1)cncc2-c1cccc(-c2nn[n-]n2)c1 ZINC001239947512 820729357 /nfs/dbraw/zinc/72/93/57/820729357.db2.gz VIXJETGOSQGUDH-UHFFFAOYSA-N -1 3 273.299 3.082 20 0 CGADHM Cn1ccc2ccc(-c3ccccc3-c3nnn[n-]3)cc21 ZINC001240573501 821158515 /nfs/dbraw/zinc/15/85/15/821158515.db2.gz FJHVDPCXJMESHX-UHFFFAOYSA-N -1 3 275.315 3.025 20 0 CGADHM Cn1ccc2ccc(-c3ccccc3-c3nn[n-]n3)cc21 ZINC001240573501 821158521 /nfs/dbraw/zinc/15/85/21/821158521.db2.gz FJHVDPCXJMESHX-UHFFFAOYSA-N -1 3 275.315 3.025 20 0 CGADHM [O-]c1ccc(F)cc1-c1cncnc1C(F)(F)F ZINC001240697147 821254082 /nfs/dbraw/zinc/25/40/82/821254082.db2.gz IJXRWQQCDPMVIP-UHFFFAOYSA-N -1 3 258.174 3.007 20 0 CGADHM Cc1c(F)cccc1-c1cc(-c2nnn[n-]2)ccc1F ZINC001240732906 821285733 /nfs/dbraw/zinc/28/57/33/821285733.db2.gz XYRWFYXNBDZRMF-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM Cc1c(F)cccc1-c1cc(-c2nn[n-]n2)ccc1F ZINC001240732906 821285740 /nfs/dbraw/zinc/28/57/40/821285740.db2.gz XYRWFYXNBDZRMF-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM CCOC(=O)Cc1ccccc1-c1ccc([O-])c(F)c1 ZINC001240785810 821324742 /nfs/dbraw/zinc/32/47/42/821324742.db2.gz PADXXEWRDKEMSZ-UHFFFAOYSA-N -1 3 274.291 3.304 20 0 CGADHM COC(=O)c1cc2cc(-c3ccc([O-])c(F)c3)ncc2o1 ZINC001240785739 821325715 /nfs/dbraw/zinc/32/57/15/821325715.db2.gz CYBMAFDJXRTUJB-UHFFFAOYSA-N -1 3 287.246 3.126 20 0 CGADHM CCOC(=O)c1ccc(-c2ccc([O-])c(F)c2)cc1OC ZINC001240788144 821330236 /nfs/dbraw/zinc/33/02/36/821330236.db2.gz BXNQNGZTBUYYJF-UHFFFAOYSA-N -1 3 290.290 3.384 20 0 CGADHM CC1(C)CNc2cc(-c3ccc([O-])c(F)c3)cnc21 ZINC001240788545 821330777 /nfs/dbraw/zinc/33/07/77/821330777.db2.gz HVTOOUPOBGOTHC-UHFFFAOYSA-N -1 3 258.296 3.296 20 0 CGADHM COC(=O)c1nc2cccc(-c3ccc([O-])c(F)c3)c2o1 ZINC001240788146 821331048 /nfs/dbraw/zinc/33/10/48/821331048.db2.gz BYJZZDANVAWSLQ-UHFFFAOYSA-N -1 3 287.246 3.126 20 0 CGADHM O=C([O-])c1ccc(-c2cncc(CN3CCCC3)c2)s1 ZINC001240848447 821370359 /nfs/dbraw/zinc/37/03/59/821370359.db2.gz ANDJGILBRGCBGF-UHFFFAOYSA-N -1 3 288.372 3.104 20 0 CGADHM Cc1ccc(-c2cc(C(F)(F)F)[n-]c(=S)n2)cc1N ZINC001240960486 821446259 /nfs/dbraw/zinc/44/62/59/821446259.db2.gz BNCCQLWBOLRAEN-UHFFFAOYSA-N -1 3 285.294 3.342 20 0 CGADHM [O-]c1ccccc1-c1cc(-c2nc(C3CC3)no2)ccn1 ZINC001241008408 821485625 /nfs/dbraw/zinc/48/56/25/821485625.db2.gz GITAEDJJSFNFIF-UHFFFAOYSA-N -1 3 279.299 3.382 20 0 CGADHM COC(=O)c1cc2ccccc2c(-c2ccccc2[O-])n1 ZINC001241009853 821486987 /nfs/dbraw/zinc/48/69/87/821486987.db2.gz ZWUQSHOPQKLKQQ-UHFFFAOYSA-N -1 3 279.295 3.394 20 0 CGADHM Cc1ccc(-c2nc(N)ccc2NC(=O)C(C)(C)C)c([O-])c1 ZINC001241036105 821511307 /nfs/dbraw/zinc/51/13/07/821511307.db2.gz NSQGOPHVDJNARK-UHFFFAOYSA-N -1 3 299.374 3.329 20 0 CGADHM Cc1ccc(-c2cncc(C(F)(F)F)n2)c([O-])c1 ZINC001241035685 821511612 /nfs/dbraw/zinc/51/16/12/821511612.db2.gz CRIOACNFPONVFL-UHFFFAOYSA-N -1 3 254.211 3.176 20 0 CGADHM Cc1ccc(-c2ncc(C(N)=O)c3ccsc32)c([O-])c1 ZINC001241038128 821514278 /nfs/dbraw/zinc/51/42/78/821514278.db2.gz MQMXEBNJBZKSLQ-UHFFFAOYSA-N -1 3 284.340 3.076 20 0 CGADHM Fc1cc(-c2nnn[n-]2)cc(-c2c(F)ccc(F)c2F)c1 ZINC001241048997 821522570 /nfs/dbraw/zinc/52/25/70/821522570.db2.gz JGNBIVWRNGWACE-UHFFFAOYSA-N -1 3 294.211 3.090 20 0 CGADHM Fc1cc(-c2nn[n-]n2)cc(-c2c(F)ccc(F)c2F)c1 ZINC001241048997 821522575 /nfs/dbraw/zinc/52/25/75/821522575.db2.gz JGNBIVWRNGWACE-UHFFFAOYSA-N -1 3 294.211 3.090 20 0 CGADHM Fc1ccc(F)c(-c2ccc(-c3nnn[n-]3)c(F)c2)c1F ZINC001241049750 821523399 /nfs/dbraw/zinc/52/33/99/821523399.db2.gz LSYJYGDMOORWMP-UHFFFAOYSA-N -1 3 294.211 3.090 20 0 CGADHM Fc1ccc(F)c(-c2ccc(-c3nn[n-]n3)c(F)c2)c1F ZINC001241049750 821523403 /nfs/dbraw/zinc/52/34/03/821523403.db2.gz LSYJYGDMOORWMP-UHFFFAOYSA-N -1 3 294.211 3.090 20 0 CGADHM CCOc1ccc(F)c(-c2ccc(=S)[n-]n2)c1F ZINC001241057062 821526612 /nfs/dbraw/zinc/52/66/12/821526612.db2.gz SINVXZTZXXGMTB-UHFFFAOYSA-N -1 3 268.288 3.109 20 0 CGADHM CCOc1ccc(F)cc1-c1ccc(-c2nnn[n-]2)cc1C ZINC001241104610 821561477 /nfs/dbraw/zinc/56/14/77/821561477.db2.gz FSHBDBMTBTVCFT-UHFFFAOYSA-N -1 3 298.321 3.380 20 0 CGADHM CCOc1ccc(F)cc1-c1ccc(-c2nn[n-]n2)cc1C ZINC001241104610 821561480 /nfs/dbraw/zinc/56/14/80/821561480.db2.gz FSHBDBMTBTVCFT-UHFFFAOYSA-N -1 3 298.321 3.380 20 0 CGADHM COc1cc(C)c(-c2ccc(F)c(-c3nnn[n-]3)c2)cc1C ZINC001241135915 821591238 /nfs/dbraw/zinc/59/12/38/821591238.db2.gz BJMNVSHEQAKCGE-UHFFFAOYSA-N -1 3 298.321 3.298 20 0 CGADHM COc1cc(C)c(-c2ccc(F)c(-c3nn[n-]n3)c2)cc1C ZINC001241135915 821591242 /nfs/dbraw/zinc/59/12/42/821591242.db2.gz BJMNVSHEQAKCGE-UHFFFAOYSA-N -1 3 298.321 3.298 20 0 CGADHM Fc1ccc(-c2ccc(Cl)c(F)c2)cc1-c1nnn[n-]1 ZINC001241231616 821656911 /nfs/dbraw/zinc/65/69/11/821656911.db2.gz CHFCNWXAYKLNFQ-UHFFFAOYSA-N -1 3 292.676 3.465 20 0 CGADHM Fc1ccc(-c2ccc(Cl)c(F)c2)cc1-c1nn[n-]n1 ZINC001241231616 821656918 /nfs/dbraw/zinc/65/69/18/821656918.db2.gz CHFCNWXAYKLNFQ-UHFFFAOYSA-N -1 3 292.676 3.465 20 0 CGADHM CCOC(=O)c1cc(-c2cc([O-])cc(F)c2)ncc1C ZINC001241255808 821675494 /nfs/dbraw/zinc/67/54/94/821675494.db2.gz DXJJXIVHDCRLMO-UHFFFAOYSA-N -1 3 275.279 3.078 20 0 CGADHM [O-]c1cc(F)cc(-c2cnc3cc(F)ccc3n2)c1 ZINC001241257684 821677814 /nfs/dbraw/zinc/67/78/14/821677814.db2.gz ONFXMRBKVPJVCJ-UHFFFAOYSA-N -1 3 258.227 3.281 20 0 CGADHM COc1nnc(-c2cc([O-])cc(F)c2)cc1C(F)(F)F ZINC001241261851 821680925 /nfs/dbraw/zinc/68/09/25/821680925.db2.gz SIZZYNJZMCETHZ-UHFFFAOYSA-N -1 3 288.200 3.016 20 0 CGADHM [O-]c1cc(F)cc(-c2cc(OC(F)(F)F)ccn2)c1 ZINC001241261213 821681175 /nfs/dbraw/zinc/68/11/75/821681175.db2.gz HIMXRVREHMSCRU-UHFFFAOYSA-N -1 3 273.185 3.492 20 0 CGADHM CSc1c[nH]c2ncnc(-c3cc([O-])cc(F)c3)c12 ZINC001241262426 821682233 /nfs/dbraw/zinc/68/22/33/821682233.db2.gz LFDWGALVGJSNHC-UHFFFAOYSA-N -1 3 275.308 3.143 20 0 CGADHM [O-]c1cc(F)cc(-c2cccc(C3OCCO3)c2)c1 ZINC001241266617 821685224 /nfs/dbraw/zinc/68/52/24/821685224.db2.gz NMLSYQJMGZQADY-UHFFFAOYSA-N -1 3 260.264 3.244 20 0 CGADHM O=C1c2cccc(-c3cc([O-])cc(F)c3)c2CN1C1CC1 ZINC001241271174 821689977 /nfs/dbraw/zinc/68/99/77/821689977.db2.gz MCXVDSWGKDUEPA-UHFFFAOYSA-N -1 3 283.302 3.317 20 0 CGADHM CC(=O)N1CCCc2cc(-c3cc([O-])cc(F)c3)ccc21 ZINC001241271052 821690228 /nfs/dbraw/zinc/69/02/28/821690228.db2.gz JLJZUZVXAWOORP-UHFFFAOYSA-N -1 3 285.318 3.497 20 0 CGADHM O=c1ccc(-c2cc([O-])cc(F)c2)cn1-c1ccccc1 ZINC001241280681 821699773 /nfs/dbraw/zinc/69/97/73/821699773.db2.gz RQJISPHLHFXMMA-UHFFFAOYSA-N -1 3 281.286 3.349 20 0 CGADHM COc1cc(C)ncc1-c1c(F)ccc([O-])c1F ZINC001241292548 821709394 /nfs/dbraw/zinc/70/93/94/821709394.db2.gz FTNAVFWAKJQXDP-UHFFFAOYSA-N -1 3 251.232 3.049 20 0 CGADHM [O-]c1ccc(F)c(-c2ccc(-c3nc[nH]n3)cc2)c1F ZINC001241293231 821711114 /nfs/dbraw/zinc/71/11/14/821711114.db2.gz UHCQVFILPVRNSY-UHFFFAOYSA-N -1 3 273.242 3.123 20 0 CGADHM Cc1cc(-c2ccc(-c3nnn[n-]3)cc2)nc2ccccc12 ZINC001241441189 821834643 /nfs/dbraw/zinc/83/46/43/821834643.db2.gz DYWZZRSCQYSZGU-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM Cc1cc(-c2ccc(-c3nn[n-]n3)cc2)nc2ccccc12 ZINC001241441189 821834645 /nfs/dbraw/zinc/83/46/45/821834645.db2.gz DYWZZRSCQYSZGU-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM CSCc1cccc(-c2ccc(-c3nnn[n-]3)cc2)c1 ZINC001241445806 821840385 /nfs/dbraw/zinc/84/03/85/821840385.db2.gz YTBJEGHLTILJPG-UHFFFAOYSA-N -1 3 282.372 3.397 20 0 CGADHM CSCc1cccc(-c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001241445806 821840395 /nfs/dbraw/zinc/84/03/95/821840395.db2.gz YTBJEGHLTILJPG-UHFFFAOYSA-N -1 3 282.372 3.397 20 0 CGADHM Cc1ccc2cnccc2c1-c1ccc(-c2nnn[n-]2)cc1 ZINC001241444970 821841667 /nfs/dbraw/zinc/84/16/67/821841667.db2.gz GFPQCJZRFCJQPB-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM Cc1ccc2cnccc2c1-c1ccc(-c2nn[n-]n2)cc1 ZINC001241444970 821841670 /nfs/dbraw/zinc/84/16/70/821841670.db2.gz GFPQCJZRFCJQPB-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM Cc1cc(C)c(-c2cccc(-c3nnn[n-]3)c2)cc1C ZINC001241635727 822014203 /nfs/dbraw/zinc/01/42/03/822014203.db2.gz XDQXYAYXNCWPHD-UHFFFAOYSA-N -1 3 264.332 3.459 20 0 CGADHM Cc1cc(C)c(-c2cccc(-c3nn[n-]n3)c2)cc1C ZINC001241635727 822014211 /nfs/dbraw/zinc/01/42/11/822014211.db2.gz XDQXYAYXNCWPHD-UHFFFAOYSA-N -1 3 264.332 3.459 20 0 CGADHM Fc1ccc(-c2nnn[n-]2)cc1-c1ccc2cnccc2c1 ZINC001242247391 822926177 /nfs/dbraw/zinc/92/61/77/822926177.db2.gz QWNHOVBJQZBWRG-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Fc1ccc(-c2nn[n-]n2)cc1-c1ccc2cnccc2c1 ZINC001242247391 822926179 /nfs/dbraw/zinc/92/61/79/822926179.db2.gz QWNHOVBJQZBWRG-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Cc1cc(-c2nnn[n-]2)ccc1-c1ccc(F)c(F)c1C ZINC001242307726 822946373 /nfs/dbraw/zinc/94/63/73/822946373.db2.gz FSENQISOSUBFKZ-UHFFFAOYSA-N -1 3 286.285 3.429 20 0 CGADHM Cc1cc(-c2nn[n-]n2)ccc1-c1ccc(F)c(F)c1C ZINC001242307726 822946374 /nfs/dbraw/zinc/94/63/74/822946374.db2.gz FSENQISOSUBFKZ-UHFFFAOYSA-N -1 3 286.285 3.429 20 0 CGADHM COC(=O)c1c(C)c(OC)ccc1-c1cccc(F)c1[O-] ZINC001242351416 822961491 /nfs/dbraw/zinc/96/14/91/822961491.db2.gz JSVQPTZDINJFHN-UHFFFAOYSA-N -1 3 290.290 3.302 20 0 CGADHM COC(=O)c1c(C)cc(-c2cccc(F)c2[O-])cc1F ZINC001242352250 822961852 /nfs/dbraw/zinc/96/18/52/822961852.db2.gz DABYFIINGGYSTH-UHFFFAOYSA-N -1 3 278.254 3.432 20 0 CGADHM COC(=O)c1nc2cc(-c3cccc(F)c3[O-])ccc2o1 ZINC001242352064 822962036 /nfs/dbraw/zinc/96/20/36/822962036.db2.gz KEHHOJVQZAXWCX-UHFFFAOYSA-N -1 3 287.246 3.126 20 0 CGADHM O=C1Nc2cccc(-c3cccc(F)c3[O-])c2C12CC2 ZINC001242352832 822962483 /nfs/dbraw/zinc/96/24/83/822962483.db2.gz QXUMVPHMARCPAZ-UHFFFAOYSA-N -1 3 269.275 3.182 20 0 CGADHM CC1(C)CNC(=O)c2cc(-c3cccc(F)c3[O-])ccc21 ZINC001242352430 822962545 /nfs/dbraw/zinc/96/25/45/822962545.db2.gz HWTRRLXGXHYAOL-UHFFFAOYSA-N -1 3 285.318 3.219 20 0 CGADHM O=c1cc(-c2cccc(F)c2[O-])ccn1C1CCC1 ZINC001242353206 822962578 /nfs/dbraw/zinc/96/25/78/822962578.db2.gz WSMYDVUMSNLEDZ-UHFFFAOYSA-N -1 3 259.280 3.085 20 0 CGADHM OCc1ccc(-c2ccc3c(c2)[N-]C(=S)C3)cc1F ZINC001242534846 823023080 /nfs/dbraw/zinc/02/30/80/823023080.db2.gz LVUMCFKSSVRRLL-UHFFFAOYSA-N -1 3 273.332 3.280 20 0 CGADHM C[C@@H](CCNCc1nc(C(C)(C)C)cs1)CC(=O)[O-] ZINC001351743109 926827651 /nfs/dbraw/zinc/82/76/51/926827651.db2.gz VKZBPDGZRHBEFE-JTQLQIEISA-N -1 3 284.425 3.031 20 0 CGADHM [O-]c1cccc(CNCc2ccco2)c1Br ZINC000314953375 927591123 /nfs/dbraw/zinc/59/11/23/927591123.db2.gz AGPLZGBTGTYOHW-UHFFFAOYSA-N -1 3 282.137 3.038 20 0 CGADHM CCc1ccc(C(=O)N[C@@H]2CCCC[C@H]2C)c([O-])c1 ZINC001440437102 928095099 /nfs/dbraw/zinc/09/50/99/928095099.db2.gz OEIGXQWILSHRTN-BXUZGUMPSA-N -1 3 261.365 3.263 20 0 CGADHM CC[C@H]1CCN(Cc2nc(=O)c3sccc3[n-]2)[C@H]1C ZINC001434466313 937249129 /nfs/dbraw/zinc/24/91/29/937249129.db2.gz JEPPAIUWTVVCEC-UWVGGRQHSA-N -1 3 277.393 3.017 20 0 CGADHM Cc1cccc([O-])c1C(=O)NCc1ccc([C@H]2C[C@@H]2C)o1 ZINC001441751794 937339210 /nfs/dbraw/zinc/33/92/10/937339210.db2.gz ZTSVQCQFGXIHMH-AAEUAGOBSA-N -1 3 285.343 3.347 20 0 CGADHM CCc1ccc(C(=O)NCCc2ccccc2C)c([O-])c1 ZINC001445485888 937358045 /nfs/dbraw/zinc/35/80/45/937358045.db2.gz JKNQDKMIANEXKY-UHFFFAOYSA-N -1 3 283.371 3.236 20 0 CGADHM Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc(O)cc2[O-])c1 ZINC001447110935 937367197 /nfs/dbraw/zinc/36/71/97/937367197.db2.gz NANKEOVNQFRJCG-GFCCVEGCSA-N -1 3 285.343 3.206 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])c1ccc(-c2c[nH]cn2)cc1 ZINC001447286842 937367529 /nfs/dbraw/zinc/36/75/29/937367529.db2.gz IUNIXMMCEHQULJ-UHFFFAOYSA-N -1 3 297.289 3.174 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])c1cnc(C2CC2)o1 ZINC001546000695 937370937 /nfs/dbraw/zinc/37/09/37/937370937.db2.gz YHWOQKMWMUVWAE-UHFFFAOYSA-N -1 3 278.695 3.163 20 0 CGADHM Cc1cccc(OCCCNC(=O)c2ccccc2[O-])c1C ZINC001448879030 937377124 /nfs/dbraw/zinc/37/71/24/937377124.db2.gz AVCMLOCUTDAECD-UHFFFAOYSA-N -1 3 299.370 3.208 20 0 CGADHM CCc1cccc(C(=O)Nc2ccnn2C2CCC2)c1[O-] ZINC001456853900 937435636 /nfs/dbraw/zinc/43/56/36/937435636.db2.gz PGGUBARNSVLMHF-UHFFFAOYSA-N -1 3 285.347 3.128 20 0 CGADHM CCCCOc1ccc(C(=O)NCCC2(C)CC2)c([O-])c1 ZINC001457788114 937445799 /nfs/dbraw/zinc/44/57/99/937445799.db2.gz QIBLBGVEZDTVJW-UHFFFAOYSA-N -1 3 291.391 3.491 20 0 CGADHM C[C@H](C(=O)Nc1cc(Cl)ccc1[O-])n1cccc1 ZINC000135989669 931977575 /nfs/dbraw/zinc/97/75/75/931977575.db2.gz YQBVXMSOKROPLO-SECBINFHSA-N -1 3 264.712 3.047 20 0 CGADHM COc1cc([N-]c2nc(C(C)(C)C)ns2)cnc1F ZINC001216418542 932020653 /nfs/dbraw/zinc/02/06/53/932020653.db2.gz OTDDWMGZSVOWAA-UHFFFAOYSA-N -1 3 282.344 3.122 20 0 CGADHM [O-]c1cc(O)cc(O[C@@H]2C[C@H]3C=C[C@@H]2C3)c1Br ZINC001229099597 932094282 /nfs/dbraw/zinc/09/42/82/932094282.db2.gz MGERNSHAJPRRTL-VAOFZXAKSA-N -1 3 297.148 3.204 20 0 CGADHM CC(C)[C@H](C)Oc1cc(O)cc([O-])c1Br ZINC001229100652 932094829 /nfs/dbraw/zinc/09/48/29/932094829.db2.gz UENOTPXCVDWSIJ-ZETCQYMHSA-N -1 3 275.142 3.284 20 0 CGADHM Cc1nocc1[N-]C(=O)c1cc2c(cncc2Cl)s1 ZINC001461251876 937572226 /nfs/dbraw/zinc/57/22/26/937572226.db2.gz CFQYFOYFMIYLCS-UHFFFAOYSA-N -1 3 293.735 3.498 20 0 CGADHM Cc1nc(O[C@@H](c2ccccc2)C(F)(F)F)c(C)c(=O)[n-]1 ZINC001229685897 932188758 /nfs/dbraw/zinc/18/87/58/932188758.db2.gz PDLZZZUCGVILHM-NSHDSACASA-N -1 3 298.264 3.481 20 0 CGADHM C[C@@H]1CC[C@H](Oc2ccccc2-c2nnn[n-]2)C[C@H]1C ZINC001229954941 932509701 /nfs/dbraw/zinc/50/97/01/932509701.db2.gz PXIRJTSUYQKRCN-UTUOFQBUSA-N -1 3 272.352 3.070 20 0 CGADHM C[C@@H]1CC[C@H](Oc2ccccc2-c2nn[n-]n2)C[C@H]1C ZINC001229954941 932509704 /nfs/dbraw/zinc/50/97/04/932509704.db2.gz PXIRJTSUYQKRCN-UTUOFQBUSA-N -1 3 272.352 3.070 20 0 CGADHM O=c1nc2cccc(Cl)c2c(O[C@H]2C=CCC2)[n-]1 ZINC001230887387 932635988 /nfs/dbraw/zinc/63/59/88/932635988.db2.gz ZLZLBQDNUSEAPZ-QMMMGPOBSA-N -1 3 262.696 3.086 20 0 CGADHM Cc1cccc2c1CC[C@@H]2Oc1ccc(-c2nn[n-]n2)cc1 ZINC001231074864 932672740 /nfs/dbraw/zinc/67/27/40/932672740.db2.gz ZJCKRRWEWDKXMT-INIZCTEOSA-N -1 3 292.342 3.241 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-][C@H](C)[C@H]2CC3CCC2CC3)o1 ZINC001463992874 937683991 /nfs/dbraw/zinc/68/39/91/937683991.db2.gz LBRJJBCVWJPUHV-BLYZHGLHSA-N -1 3 297.420 3.081 20 0 CGADHM Cc1csc(Sc2nc3ccccc3c(=O)[n-]2)n1 ZINC001318158219 933690127 /nfs/dbraw/zinc/69/01/27/933690127.db2.gz LRMXKWRFOBTCTL-UHFFFAOYSA-N -1 3 275.358 3.252 20 0 CGADHM Cc1cccc([O-])c1C(=O)NCC1(Cc2ccccc2)CC1 ZINC001466214557 937707152 /nfs/dbraw/zinc/70/71/52/937707152.db2.gz MHTQERQZMHJPTL-UHFFFAOYSA-N -1 3 295.382 3.453 20 0 CGADHM Cn1c2ccccc2sc1=NC(=O)c1cc2occc2[n-]1 ZINC001468709882 937731093 /nfs/dbraw/zinc/73/10/93/937731093.db2.gz VVTSORXBHOIXGN-UHFFFAOYSA-N -1 3 297.339 3.055 20 0 CGADHM Cc1nsc(C)c1C(=O)Nc1c([O-])cccc1Cl ZINC001468455624 937728287 /nfs/dbraw/zinc/72/82/87/937728287.db2.gz PTBBUYNARCILBA-UHFFFAOYSA-N -1 3 282.752 3.371 20 0 CGADHM CSc1ccc([O-])c(C(=O)NC2CC(C)(C)C2)c1 ZINC001470360245 937751723 /nfs/dbraw/zinc/75/17/23/937751723.db2.gz VZKQOMJOULRZCT-UHFFFAOYSA-N -1 3 265.378 3.033 20 0 CGADHM Cc1cc(O)cc(NC(=O)c2ccc(C)c(C)c2[O-])c1 ZINC001470882332 937759023 /nfs/dbraw/zinc/75/90/23/937759023.db2.gz DMYMUYAZOCQMCS-UHFFFAOYSA-N -1 3 271.316 3.275 20 0 CGADHM Cc1ccc(C(=O)N[C@@H]2c3ccccc3CC[C@@H]2F)c([O-])c1 ZINC001471501619 937766400 /nfs/dbraw/zinc/76/64/00/937766400.db2.gz AANJBDQACGRJKI-DOTOQJQBSA-N -1 3 299.345 3.456 20 0 CGADHM CC(C)c1ncsc1C(=O)[N-]c1c(F)ccnc1F ZINC001331302642 935366452 /nfs/dbraw/zinc/36/64/52/935366452.db2.gz LXPNNWQVFMQXEQ-UHFFFAOYSA-N -1 3 283.303 3.192 20 0 CGADHM C[C@H](NC1CC(C)(C(=O)[O-])C1)c1nc(C(C)(C)C)cs1 ZINC001331942917 935425135 /nfs/dbraw/zinc/42/51/35/935425135.db2.gz HIRQBFMIMBXKTJ-YLTRJXTNSA-N -1 3 296.436 3.345 20 0 CGADHM CC(C)(C)[C@H]1CCN1C(=O)c1cc([O-])ccc1Cl ZINC001337608499 936273885 /nfs/dbraw/zinc/27/38/85/936273885.db2.gz WQENQHDIBIJNMW-GFCCVEGCSA-N -1 3 267.756 3.306 20 0 CGADHM O=C(Cc1ccc(C2CCC2)cc1)[N-]OCc1ccccn1 ZINC001521653029 938033297 /nfs/dbraw/zinc/03/32/97/938033297.db2.gz OFMOWUQKROUNOX-UHFFFAOYSA-N -1 3 296.370 3.140 20 0 CGADHM C[C@@H](OC(=O)c1cccc(Cl)c1[O-])c1ncccc1F ZINC001524776365 938045554 /nfs/dbraw/zinc/04/55/54/938045554.db2.gz STGFTWYIXIBYLO-MRVPVSSYSA-N -1 3 295.697 3.498 20 0 CGADHM CCOc1cc(C(=O)[N-]c2cccc(F)c2Cl)on1 ZINC001525560466 938050260 /nfs/dbraw/zinc/05/02/60/938050260.db2.gz KPEGKDKRLQIZHZ-UHFFFAOYSA-N -1 3 284.674 3.118 20 0 CGADHM O=C([N-]c1c(F)cccc1F)c1ncnc2ccsc21 ZINC001530677958 938078994 /nfs/dbraw/zinc/07/89/94/938078994.db2.gz MTTKOOBSAIKODJ-UHFFFAOYSA-N -1 3 291.282 3.222 20 0 CGADHM O=C([N-]c1c(F)cc(F)cc1F)c1nccc2occc21 ZINC001531647992 938082583 /nfs/dbraw/zinc/08/25/83/938082583.db2.gz LPCKDDIFCPUKNF-UHFFFAOYSA-N -1 3 292.216 3.497 20 0 CGADHM CC(C)(F)c1cc([N-]C(=O)c2ccc(Cl)o2)no1 ZINC001538241614 938116488 /nfs/dbraw/zinc/11/64/88/938116488.db2.gz KNEFSMQTGPOAFP-UHFFFAOYSA-N -1 3 272.663 3.378 20 0 CGADHM O=C(Nc1ccc(-c2ccccc2)cc1)c1cc(=O)[n-]cn1 ZINC001538651067 938119788 /nfs/dbraw/zinc/11/97/88/938119788.db2.gz BVGWNCSUDOWDKY-UHFFFAOYSA-N -1 3 291.310 3.102 20 0 CGADHM Cc1cccc([O-])c1C(=O)NCC1(c2ccccc2)CC1 ZINC001539762891 938126127 /nfs/dbraw/zinc/12/61/27/938126127.db2.gz MNPNHCYMKPYYKE-UHFFFAOYSA-N -1 3 281.355 3.162 20 0 CGADHM Cc1ccc(F)c(NC(=O)c2[n-]cnc2C(F)(F)F)c1 ZINC001540432776 938131235 /nfs/dbraw/zinc/13/12/35/938131235.db2.gz MVONLQBGAITYRC-UHFFFAOYSA-N -1 3 287.216 3.128 20 0 CGADHM Cc1ccc(F)c(NC(=O)c2nc[n-]c2C(F)(F)F)c1 ZINC001540432776 938131236 /nfs/dbraw/zinc/13/12/36/938131236.db2.gz MVONLQBGAITYRC-UHFFFAOYSA-N -1 3 287.216 3.128 20 0 CGADHM COC(=O)c1cccc(NC(=O)c2ccc(C)c(C)c2[O-])c1 ZINC001540454757 938131537 /nfs/dbraw/zinc/13/15/37/938131537.db2.gz ASMGPMJEYFQNTN-UHFFFAOYSA-N -1 3 299.326 3.048 20 0 CGADHM O=C([N-][C@H]1C=CCCC1)C(F)(F)c1cc(F)cc(F)c1 ZINC001544108263 938143360 /nfs/dbraw/zinc/14/33/60/938143360.db2.gz KPCFURTXRNXVGM-LBPRGKRZSA-N -1 3 287.256 3.282 20 0 CGADHM CCc1ccc(C(=O)NCC(C)(C)C(C)C)c([O-])c1 ZINC001556238995 938202666 /nfs/dbraw/zinc/20/26/66/938202666.db2.gz DUWFQTDSWDOAQJ-UHFFFAOYSA-N -1 3 263.381 3.367 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CC[C@@H](CC)[C@H]2C)c1 ZINC001556272471 938202826 /nfs/dbraw/zinc/20/28/26/938202826.db2.gz BKOROFGKCQEDSE-DGCLKSJQSA-N -1 3 261.365 3.215 20 0 CGADHM COc1cccc([O-])c1C(=O)N[C@H](C)CC1CCCCC1 ZINC001556401108 938203497 /nfs/dbraw/zinc/20/34/97/938203497.db2.gz VXUMDKCYDIKSKH-GFCCVEGCSA-N -1 3 291.391 3.490 20 0 CGADHM CC(=O)c1cc(NC(=O)c2c(C)cccc2[O-])ccc1F ZINC001556544764 938204368 /nfs/dbraw/zinc/20/43/68/938204368.db2.gz LPWYDJBVLLXNLC-UHFFFAOYSA-N -1 3 287.290 3.295 20 0 CGADHM CC(=O)c1cccc(NC(=O)c2cccc(C)c2F)c1[O-] ZINC001556853675 938206178 /nfs/dbraw/zinc/20/61/78/938206178.db2.gz PWEBYNWPZHWNNA-UHFFFAOYSA-N -1 3 287.290 3.295 20 0 CGADHM CCSc1cccc(CNC(=O)c2ccccc2[O-])c1 ZINC001556889763 938206327 /nfs/dbraw/zinc/20/63/27/938206327.db2.gz YIQPAFIAEXWPIH-UHFFFAOYSA-N -1 3 287.384 3.434 20 0 CGADHM CC(C)c1ccc(C(=O)N[C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)c([O-])c1 ZINC001557937798 938212512 /nfs/dbraw/zinc/21/25/12/938212512.db2.gz YXZVCNCPQWRSOD-BUWBCJGYSA-N -1 3 291.391 3.057 20 0 CGADHM [O-]c1ccc(CN2CC(c3nc4ccccc4[nH]3)C2)cc1F ZINC001560636240 938267384 /nfs/dbraw/zinc/26/73/84/938267384.db2.gz ARVKRJSHLKAUEY-UHFFFAOYSA-N -1 3 297.333 3.007 20 0 CGADHM O=C([O-])CC[C@H]1CCCCN1Cc1nc2ccccc2o1 ZINC000050925867 948922540 /nfs/dbraw/zinc/92/25/40/948922540.db2.gz NEEPOUPNVOXSRM-GFCCVEGCSA-N -1 3 288.347 3.047 20 0 CGADHM O=C([O-])c1cccc(CNCc2cccc3ccoc32)c1 ZINC001595244889 949509128 /nfs/dbraw/zinc/50/91/28/949509128.db2.gz CBZGOYUHPSVFQE-UHFFFAOYSA-N -1 3 281.311 3.421 20 0 CGADHM Cc1cc(CN[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)cc(C)n1 ZINC001594304041 957944075 /nfs/dbraw/zinc/94/40/75/957944075.db2.gz DHEQICARBGOYBN-DLBZAZTESA-N -1 3 296.370 3.101 20 0 CGADHM C[C@@H](NCc1cc(C(=O)[O-])cs1)c1cccc(O)c1 ZINC000095004942 958328583 /nfs/dbraw/zinc/32/85/83/958328583.db2.gz HKGZWGOOTPPZEP-SECBINFHSA-N -1 3 277.345 3.003 20 0 CGADHM C[C@H](NCc1ccsc1C(=O)[O-])c1ccccc1 ZINC000232424451 960265844 /nfs/dbraw/zinc/26/58/44/960265844.db2.gz WINZAPCOTZTDMP-JTQLQIEISA-N -1 3 261.346 3.297 20 0 CGADHM COc1cccc([C@H](C)NCc2ccsc2C(=O)[O-])c1 ZINC000235016181 960381189 /nfs/dbraw/zinc/38/11/89/960381189.db2.gz COAIVGQPQMDDFQ-JTQLQIEISA-N -1 3 291.372 3.306 20 0 CGADHM O=C([O-])c1cc(CN2CCC[C@]3(CC3(F)F)C2)cs1 ZINC001602255569 960549513 /nfs/dbraw/zinc/54/95/13/960549513.db2.gz MAJIILUPJOVDAF-LBPRGKRZSA-N -1 3 287.331 3.068 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])c1nccc2cccnc21 ZINC001566639619 960980268 /nfs/dbraw/zinc/98/02/68/960980268.db2.gz ZKDXXCICWAQABO-UHFFFAOYSA-N -1 3 299.717 3.241 20 0 CGADHM CC(=O)c1ccc(C(=O)Nc2ccc([O-])cc2F)cc1C ZINC001566760490 961003312 /nfs/dbraw/zinc/00/33/12/961003312.db2.gz KYGMMJAHLWTZHL-UHFFFAOYSA-N -1 3 287.290 3.295 20 0 CGADHM Cc1ccc(C(=O)NC[C@H]2CCc3ccccc3C2)c([O-])c1 ZINC001566983367 961082973 /nfs/dbraw/zinc/08/29/73/961082973.db2.gz VJFLVSTUZATUCN-AWEZNQCLSA-N -1 3 295.382 3.236 20 0 CGADHM CCc1ccc(C(=O)Nc2cc(O)ccc2C)c([O-])c1 ZINC001587309389 962118196 /nfs/dbraw/zinc/11/81/96/962118196.db2.gz NPYRVAMPXWSIFY-UHFFFAOYSA-N -1 3 271.316 3.221 20 0 CGADHM Cc1ccc(CNCc2ccccc2C(=O)[O-])cc1F ZINC001574368384 962306064 /nfs/dbraw/zinc/30/60/64/962306064.db2.gz XTNRMTQPBVSEOX-UHFFFAOYSA-N -1 3 273.307 3.122 20 0 CGADHM C[C@@H]1CC(Sc2ccncc2-c2nnn[n-]2)C[C@@H](C)C1 ZINC001575968961 962425795 /nfs/dbraw/zinc/42/57/95/962425795.db2.gz HGRNKSSTJAIRDE-UWVGGRQHSA-N -1 3 289.408 3.179 20 0 CGADHM C[C@@H]1CC(Sc2ccncc2-c2nn[n-]n2)C[C@@H](C)C1 ZINC001575968961 962425805 /nfs/dbraw/zinc/42/58/05/962425805.db2.gz HGRNKSSTJAIRDE-UWVGGRQHSA-N -1 3 289.408 3.179 20 0 CGADHM CCC(C)(C)CNc1nc(C)c(-c2nnn[n-]2)cc1Cl ZINC001576545067 962465747 /nfs/dbraw/zinc/46/57/47/962465747.db2.gz CQGLYJCXYZMSOI-UHFFFAOYSA-N -1 3 294.790 3.072 20 0 CGADHM CCC(C)(C)CNc1nc(C)c(-c2nn[n-]n2)cc1Cl ZINC001576545067 962465763 /nfs/dbraw/zinc/46/57/63/962465763.db2.gz CQGLYJCXYZMSOI-UHFFFAOYSA-N -1 3 294.790 3.072 20 0 CGADHM Fc1ccc(-c2nnn[n-]2)c(Oc2cccc(Cl)c2)c1 ZINC001581853000 962747282 /nfs/dbraw/zinc/74/72/82/962747282.db2.gz BWTDOEUBTAOYPJ-UHFFFAOYSA-N -1 3 290.685 3.452 20 0 CGADHM Fc1ccc(-c2nn[n-]n2)c(Oc2cccc(Cl)c2)c1 ZINC001581853000 962747291 /nfs/dbraw/zinc/74/72/91/962747291.db2.gz BWTDOEUBTAOYPJ-UHFFFAOYSA-N -1 3 290.685 3.452 20 0 CGADHM CCc1ccc(C(=O)NCc2cccc(C)c2OC)c([O-])c1 ZINC001583099004 962775760 /nfs/dbraw/zinc/77/57/60/962775760.db2.gz WZERPRHXXGDJFL-UHFFFAOYSA-N -1 3 299.370 3.202 20 0 CGADHM Cc1cc(C)cc(OCCNC(=O)c2c(C)cccc2[O-])c1 ZINC001583299006 962795475 /nfs/dbraw/zinc/79/54/75/962795475.db2.gz WCEXDKQDBPHKGT-UHFFFAOYSA-N -1 3 299.370 3.126 20 0 CGADHM CC(C)CC[C@@H]1CCC[C@H]1NC(=O)c1ccc(O)cc1[O-] ZINC001584730767 962947364 /nfs/dbraw/zinc/94/73/64/962947364.db2.gz USMDXHCOHPVHQY-SWLSCSKDSA-N -1 3 291.391 3.433 20 0 CGADHM C[C@@]1(C(=O)[O-])CCCN(Cc2ccsc2Cl)C1 ZINC000308358489 963270361 /nfs/dbraw/zinc/27/03/61/963270361.db2.gz QTQARLZSWDCSTF-GFCCVEGCSA-N -1 3 273.785 3.088 20 0 CGADHM C(=C/c1ccccc1)\CCOc1ccc(-c2nn[n-]n2)cc1 ZINC001588380207 963271692 /nfs/dbraw/zinc/27/16/92/963271692.db2.gz XNIGMVKOLVXPGX-XBXARRHUSA-N -1 3 292.342 3.349 20 0 CGADHM CC(C)c1nc([C@H](C)N[C@@H]2CC[C@H](C(=O)[O-])C2)cs1 ZINC001588975048 963335251 /nfs/dbraw/zinc/33/52/51/963335251.db2.gz RPWFTVPFHMMYTI-GARJFASQSA-N -1 3 282.409 3.170 20 0 CGADHM C/C(=C\CN[C@H]1CC2(CCC2)Oc2ccccc21)C(=O)[O-] ZINC001588981897 963336173 /nfs/dbraw/zinc/33/61/73/963336173.db2.gz IDPQZBPPBBKWDR-GMMCIKNFSA-N -1 3 287.359 3.053 20 0 CGADHM C[C@H](NCCCc1ccccc1)c1ncc(C(=O)[O-])s1 ZINC000314687873 963791905 /nfs/dbraw/zinc/79/19/05/963791905.db2.gz SJCUZFKJNCVVLY-NSHDSACASA-N -1 3 290.388 3.125 20 0 CGADHM CC(C)=C(C)C(=O)Nc1ccc(C2CC2)c(-c2nnn[n-]2)c1 ZINC001589346004 963982369 /nfs/dbraw/zinc/98/23/69/963982369.db2.gz KRUNMTNDQLBFHD-UHFFFAOYSA-N -1 3 297.362 3.039 20 0 CGADHM CC(C)=C(C)C(=O)Nc1ccc(C2CC2)c(-c2nn[n-]n2)c1 ZINC001589346004 963982377 /nfs/dbraw/zinc/98/23/77/963982377.db2.gz KRUNMTNDQLBFHD-UHFFFAOYSA-N -1 3 297.362 3.039 20 0 CGADHM CCC[C@H](NCc1ccc(C(=O)[O-])cc1)c1cccnc1 ZINC001589634935 964005344 /nfs/dbraw/zinc/00/53/44/964005344.db2.gz ZFQSBDZYPXTWOD-INIZCTEOSA-N -1 3 284.359 3.411 20 0 CGADHM C[C@@H](CCNCc1ncc(C(=O)[O-])s1)CC(C)(C)C ZINC001592521573 978374734 /nfs/dbraw/zinc/37/47/34/978374734.db2.gz WGNSVFRBDMEJSX-JTQLQIEISA-N -1 3 284.425 3.393 20 0 CGADHM CC[C@@H](NCc1ccnc(C)c1)c1ccc(C(=O)[O-])cc1 ZINC001595305083 980441801 /nfs/dbraw/zinc/44/18/01/980441801.db2.gz KCNDWKKVDIDMDA-MRXNPFEDSA-N -1 3 284.359 3.329 20 0 CGADHM CCC[C@@H](CNCc1cc(C(=O)[O-])ccc1Cl)OCC ZINC001595592530 981551035 /nfs/dbraw/zinc/55/10/35/981551035.db2.gz BANZXBUHSPLHLZ-ZDUSSCGKSA-N -1 3 299.798 3.333 20 0 CGADHM C[C@@H]1[C@@H](C)CN1Cc1ccc(-c2ccccc2C(=O)[O-])o1 ZINC001594535075 986145055 /nfs/dbraw/zinc/14/50/55/986145055.db2.gz LOHSPSWMGNVZKR-NWDGAFQWSA-N -1 3 285.343 3.485 20 0 CGADHM CC(C)(C)c1nc(CN[C@]2(C)CCCC[C@@H]2C(=O)[O-])co1 ZINC001590542495 990172970 /nfs/dbraw/zinc/17/29/70/990172970.db2.gz XMDOMAPPIRQMBC-MLGOLLRUSA-N -1 3 294.395 3.095 20 0 CGADHM CC(C)[C@H]1N(Cc2ccc(C(=O)[O-])[nH]2)CC12CCCC2 ZINC001591098860 991706907 /nfs/dbraw/zinc/70/69/07/991706907.db2.gz FNBBCYCREFBNQZ-CQSZACIVSA-N -1 3 276.380 3.114 20 0 CGADHM C[C@@H](NCc1cccc(OCC(=O)[O-])c1)c1cccs1 ZINC001593305303 994761654 /nfs/dbraw/zinc/76/16/54/994761654.db2.gz WKNWAQBDAKKMQR-LLVKDONJSA-N -1 3 291.372 3.062 20 0 CGADHM C[C@H](c1cccc2ccccc21)N1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001593703379 996179641 /nfs/dbraw/zinc/17/96/41/996179641.db2.gz OERYQNVVVMZFAO-AHIWAGSCSA-N -1 3 299.370 3.075 20 0 CGADHM COC[C@H](CC(C)(C)C)N[C@@H](C)c1cc(C(=O)[O-])co1 ZINC001599162827 998488245 /nfs/dbraw/zinc/48/82/45/998488245.db2.gz LITKIMAHTWDXIN-JQWIXIFHSA-N -1 3 283.368 3.080 20 0 CGADHM C[C@@H]1CC(C(=O)[O-])C[C@@H](C)N1Cc1ccsc1Cl ZINC001594211105 998822057 /nfs/dbraw/zinc/82/20/57/998822057.db2.gz YWHFLKZOHVUIPX-RKDXNWHRSA-N -1 3 287.812 3.475 20 0 CGADHM Cc1ccc([O-])c(CN2CCc3cc(F)cc(C)c3C2)n1 ZINC000337383651 214044047 /nfs/dbraw/zinc/04/40/47/214044047.db2.gz BUTBCTFOUHDTAX-UHFFFAOYSA-N -1 3 286.350 3.101 20 0 CGADHM O=C(Nc1cccc2ccsc21)c1ccc2n[n-]nc2c1 ZINC000337391423 214048172 /nfs/dbraw/zinc/04/81/72/214048172.db2.gz HMEMVIMLWSZYKZ-UHFFFAOYSA-N -1 3 294.339 3.425 20 0 CGADHM CC(C)(C)c1ccc(NC(=O)c2ccccn2)c([O-])c1 ZINC000337393068 214050618 /nfs/dbraw/zinc/05/06/18/214050618.db2.gz DOMSYAVGGIIEIC-UHFFFAOYSA-N -1 3 270.332 3.337 20 0 CGADHM CC(C)(C)CCCCNC(=O)c1cc(F)cc2nn[n-]c21 ZINC000337419853 214071625 /nfs/dbraw/zinc/07/16/25/214071625.db2.gz ACTAAJKVCGZQKF-UHFFFAOYSA-N -1 3 292.358 3.043 20 0 CGADHM CC(C)(C)CCCCNC(=O)c1cc(F)cc2[n-]nnc21 ZINC000337419853 214071627 /nfs/dbraw/zinc/07/16/27/214071627.db2.gz ACTAAJKVCGZQKF-UHFFFAOYSA-N -1 3 292.358 3.043 20 0 CGADHM CC(C)(C)CCCCNC(=O)c1cc(F)cc2n[n-]nc21 ZINC000337419853 214071629 /nfs/dbraw/zinc/07/16/29/214071629.db2.gz ACTAAJKVCGZQKF-UHFFFAOYSA-N -1 3 292.358 3.043 20 0 CGADHM CC1(C)C[C@@H]1C(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000337434954 214081302 /nfs/dbraw/zinc/08/13/02/214081302.db2.gz IGTFZJKASXSUJA-MRVPVSSYSA-N -1 3 273.254 3.396 20 0 CGADHM CCCCC[C@H]1CCCN1C(=O)c1cc(F)c[n-]c1=O ZINC000621919395 349608069 /nfs/dbraw/zinc/60/80/69/349608069.db2.gz GYIAMJFEASDHKN-LBPRGKRZSA-N -1 3 280.343 3.111 20 0 CGADHM CC[C@]1(C(C)C)C[C@@H]1NC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000412429993 529390079 /nfs/dbraw/zinc/39/00/79/529390079.db2.gz UDNBICKRXUSWHG-DOTOQJQBSA-N -1 3 289.375 3.149 20 0 CGADHM CC[C@H](NC(=O)c1cc([O-])cc(C(F)(F)F)c1)C(F)F ZINC000622072236 349626534 /nfs/dbraw/zinc/62/65/34/349626534.db2.gz KHQXOXOAIAFTLW-VIFPVBQESA-N -1 3 297.223 3.185 20 0 CGADHM CSc1cc(C(=O)N=c2[nH][n-]c(C(C)C)c2C)c(C)o1 ZINC000622122307 349632393 /nfs/dbraw/zinc/63/23/93/349632393.db2.gz GMWUSFKXDSOUNA-UHFFFAOYSA-N -1 3 293.392 3.139 20 0 CGADHM CN(Cc1ccccc1Cl)C(=O)c1c([O-])cccc1O ZINC000125552536 187190531 /nfs/dbraw/zinc/19/05/31/187190531.db2.gz VUTUOVBZXZEMIM-UHFFFAOYSA-N -1 3 291.734 3.023 20 0 CGADHM CCCC(C)(C)C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000652166739 398326096 /nfs/dbraw/zinc/32/60/96/398326096.db2.gz AQVVHNIEDIZVIX-UHFFFAOYSA-N -1 3 263.337 3.360 20 0 CGADHM O=C(c1cc([O-])ccc1C(F)(F)F)N1CC(CC2CC2)C1 ZINC000622247460 349659279 /nfs/dbraw/zinc/65/92/79/349659279.db2.gz DIPCBDUCFYAGSU-UHFFFAOYSA-N -1 3 299.292 3.283 20 0 CGADHM CCc1[n-][nH]c(=NC(=O)[C@@H](CC)Cc2ccccc2C)c1C ZINC000425174048 529460345 /nfs/dbraw/zinc/46/03/45/529460345.db2.gz ZVFYEIFTTBRDCT-AWEZNQCLSA-N -1 3 299.418 3.218 20 0 CGADHM CCOc1cc(C(=O)[N-]c2cc(F)cc(Cl)c2)on1 ZINC000622444303 349679164 /nfs/dbraw/zinc/67/91/64/349679164.db2.gz CRIBKHSEJYEVDF-UHFFFAOYSA-N -1 3 284.674 3.118 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)c2ncccc2F)c1[O-] ZINC000622468103 349682130 /nfs/dbraw/zinc/68/21/30/349682130.db2.gz VMTSEOWKHUOYCG-UHFFFAOYSA-N -1 3 280.686 3.140 20 0 CGADHM Cc1cccc(C(=O)NCC2(C)Cc3ccccc3C2)c1[O-] ZINC000622478802 349682353 /nfs/dbraw/zinc/68/23/53/349682353.db2.gz UVIPVGDMVOWVDZ-UHFFFAOYSA-N -1 3 295.382 3.236 20 0 CGADHM CCc1cccc(C(=O)NC2(Cc3ccccc3)CC2)c1[O-] ZINC000622520127 349683779 /nfs/dbraw/zinc/68/37/79/349683779.db2.gz FCRAXRWTHZRIRO-UHFFFAOYSA-N -1 3 295.382 3.460 20 0 CGADHM CN1CCC[C@H](NC(=O)c2ccccc2[O-])c2ccccc21 ZINC000622660146 349692803 /nfs/dbraw/zinc/69/28/03/349692803.db2.gz ZJASZWNMYUABHF-HNNXBMFYSA-N -1 3 296.370 3.093 20 0 CGADHM CCc1cc(C(=O)N2CC[C@H](C)[C@@H]2CC)ccc1[O-] ZINC000436673450 529514487 /nfs/dbraw/zinc/51/44/87/529514487.db2.gz QOFHSPWFSNEDPT-FZMZJTMJSA-N -1 3 261.365 3.215 20 0 CGADHM Cc1ccc(C(=O)N[C@H](C2CC2)C2CCC2)c([O-])c1C ZINC000622681605 349694161 /nfs/dbraw/zinc/69/41/61/349694161.db2.gz RJZQLHITGOASAS-HNNXBMFYSA-N -1 3 273.376 3.318 20 0 CGADHM CCc1cc(C(=O)N[C@@H](CC)CC(F)(F)F)ccc1[O-] ZINC000436705714 529519095 /nfs/dbraw/zinc/51/90/95/529519095.db2.gz NPUHZYJNJQKJJH-NSHDSACASA-N -1 3 289.297 3.415 20 0 CGADHM CCc1cc(C(=O)N[C@H]2C[C@@]2(F)c2ccccc2)ccc1[O-] ZINC000424987781 529520125 /nfs/dbraw/zinc/52/01/25/529520125.db2.gz DAIHUGCUSLHHGA-FUHWJXTLSA-N -1 3 299.345 3.322 20 0 CGADHM CCc1ccc(-c2nc(Cc3cncs3)no2)c([O-])c1 ZINC000436881073 529577625 /nfs/dbraw/zinc/57/76/25/529577625.db2.gz QTSXIPKPNRWXIH-UHFFFAOYSA-N -1 3 287.344 3.052 20 0 CGADHM CCc1ccc(C(=O)N(CC2CC2)C2CCC2)c([O-])c1 ZINC000436934256 529594510 /nfs/dbraw/zinc/59/45/10/529594510.db2.gz WNALBUGETGDNIN-UHFFFAOYSA-N -1 3 273.376 3.359 20 0 CGADHM CCc1ccc(C(=O)Nc2cc3c[nH]nc3cc2C)c([O-])c1 ZINC000437003703 529609862 /nfs/dbraw/zinc/60/98/62/529609862.db2.gz PCIRRKVJEOKXHM-UHFFFAOYSA-N -1 3 295.342 3.392 20 0 CGADHM CCc1ccc([O-])c(-c2nc(-c3cccnc3C)no2)c1 ZINC000436885572 529690777 /nfs/dbraw/zinc/69/07/77/529690777.db2.gz KNJBQZMDGQENGH-UHFFFAOYSA-N -1 3 281.315 3.375 20 0 CGADHM CCc1nc(C)c(NC(=O)c2ccc(C)cc2[O-])s1 ZINC000436641891 529728375 /nfs/dbraw/zinc/72/83/75/529728375.db2.gz QAHOSIRCWVYHEN-UHFFFAOYSA-N -1 3 276.361 3.280 20 0 CGADHM Cc1cccc([O-])c1C(=O)N(CCC(C)C)C1CC1 ZINC000623820397 349889472 /nfs/dbraw/zinc/88/94/72/349889472.db2.gz WWQGZAJHAXDNHQ-UHFFFAOYSA-N -1 3 261.365 3.351 20 0 CGADHM CC(C)[C@H](NC(=O)c1ccc2n[n-]nc2c1)c1ccccc1 ZINC000032613283 344932428 /nfs/dbraw/zinc/93/24/28/344932428.db2.gz LRODLWSHHBVJLV-INIZCTEOSA-N -1 3 294.358 3.085 20 0 CGADHM Cc1cc(CN2CC[C@H](c3ccccc3)C2)oc1C(=O)[O-] ZINC000050599798 345084120 /nfs/dbraw/zinc/08/41/20/345084120.db2.gz GEJVBJWLEWSHAK-AWEZNQCLSA-N -1 3 285.343 3.276 20 0 CGADHM O=C(c1cc(-c2ccco2)[n-]n1)N1CCc2ccc(F)cc21 ZINC000059006000 345205634 /nfs/dbraw/zinc/20/56/34/345205634.db2.gz IITOMHSTAZQRJD-UHFFFAOYSA-N -1 3 297.289 3.012 20 0 CGADHM O=C(c1cc(-c2ccco2)n[n-]1)N1CCc2ccc(F)cc21 ZINC000059006000 345205638 /nfs/dbraw/zinc/20/56/38/345205638.db2.gz IITOMHSTAZQRJD-UHFFFAOYSA-N -1 3 297.289 3.012 20 0 CGADHM CC[C@@H]1C[C@H](C)CN1Cc1nc(=O)c2sccc2[n-]1 ZINC000072698146 345416420 /nfs/dbraw/zinc/41/64/20/345416420.db2.gz BLPAERDZIWEIFS-VHSXEESVSA-N -1 3 277.393 3.017 20 0 CGADHM O=S(=O)([N-]c1cc(F)ccc1Cl)c1ccccc1 ZINC000076195270 345538372 /nfs/dbraw/zinc/53/83/72/345538372.db2.gz LKWKUGTZOBNUPE-UHFFFAOYSA-N -1 3 285.727 3.280 20 0 CGADHM CC(C)(C)c1nc(=S)n(CN2CCC[C@@H]2C2CC2)[n-]1 ZINC000728560111 571811769 /nfs/dbraw/zinc/81/17/69/571811769.db2.gz MLCCGVDXICWNOC-LLVKDONJSA-N -1 3 280.441 3.070 20 0 CGADHM CC[C@H]1CCCN(Cc2cc(C(=O)[O-])oc2C)CC1 ZINC000079348761 345638199 /nfs/dbraw/zinc/63/81/99/345638199.db2.gz ZMBQJRLAEWPQIS-LBPRGKRZSA-N -1 3 265.353 3.298 20 0 CGADHM Cc1cccc([O-])c1C(=O)N[C@@H](C)Cc1cccs1 ZINC000623986075 349936444 /nfs/dbraw/zinc/93/64/44/349936444.db2.gz KLDPYMLKGFOMSX-NSHDSACASA-N -1 3 275.373 3.123 20 0 CGADHM CCN(CCC(=O)[O-])Cc1cc(Cl)ccc1Cl ZINC000087761495 345756805 /nfs/dbraw/zinc/75/68/05/345756805.db2.gz KIAISSXQJACXJT-UHFFFAOYSA-N -1 3 276.163 3.290 20 0 CGADHM CCc1cccc(C(=O)N[C@@H](C)c2nc(C)cs2)c1[O-] ZINC000081778042 345717701 /nfs/dbraw/zinc/71/77/01/345717701.db2.gz JVKLEXWWCCVXCA-JTQLQIEISA-N -1 3 290.388 3.211 20 0 CGADHM CCc1cccc(C(=O)N(C)[C@H](C)c2cccnc2)c1[O-] ZINC000094067920 345894662 /nfs/dbraw/zinc/89/46/62/345894662.db2.gz MGCRXGFVXVOPPI-GFCCVEGCSA-N -1 3 284.359 3.183 20 0 CGADHM O=C([O-])CC1CCN(Cc2cc3ccccc3o2)CC1 ZINC000093682083 345884023 /nfs/dbraw/zinc/88/40/23/345884023.db2.gz IMUWNSGWCDZNLC-UHFFFAOYSA-N -1 3 273.332 3.120 20 0 CGADHM Cc1ccc([O-])c(CN(Cc2ccccc2)CC(F)F)n1 ZINC000093735721 345885091 /nfs/dbraw/zinc/88/50/91/345885091.db2.gz YQNMIZPMSSEHDP-UHFFFAOYSA-N -1 3 292.329 3.363 20 0 CGADHM CC(C)(C)c1ccc(NC(=O)c2ccncc2)c([O-])c1 ZINC000115057382 345968921 /nfs/dbraw/zinc/96/89/21/345968921.db2.gz VKWPRGZNCUAEDU-UHFFFAOYSA-N -1 3 270.332 3.337 20 0 CGADHM CC[C@H](C)N(CC(=O)[O-])Cc1cc(F)ccc1Cl ZINC000124450515 346012711 /nfs/dbraw/zinc/01/27/11/346012711.db2.gz UFAFXAQHYZQRDP-VIFPVBQESA-N -1 3 273.735 3.164 20 0 CGADHM CC1(C)CC([N-]C(=O)C(F)(F)F)CC(C)(C)C1 ZINC000127880095 346035421 /nfs/dbraw/zinc/03/54/21/346035421.db2.gz FMZBVPGLXRANOO-UHFFFAOYSA-N -1 3 251.292 3.270 20 0 CGADHM CCCC[C@@H](C(=O)[O-])N(C)Cc1ccccc1Cl ZINC000132565165 346072372 /nfs/dbraw/zinc/07/23/72/346072372.db2.gz CPFWUAFPXKNFBF-ZDUSSCGKSA-N -1 3 269.772 3.415 20 0 CGADHM C[C@@H]1CCC[C@H](NC(=O)NCc2ccc([O-])c(F)c2)[C@@H]1C ZINC000155085022 346152015 /nfs/dbraw/zinc/15/20/15/346152015.db2.gz YXAXSJSAGIUOAN-GYSYKLTISA-N -1 3 294.370 3.155 20 0 CGADHM O=C(NCc1ccc([O-])c(F)c1)c1ccc2ncccc2c1 ZINC000172415037 346222246 /nfs/dbraw/zinc/22/22/46/346222246.db2.gz IKBVMLYJEVKNCU-UHFFFAOYSA-N -1 3 296.301 3.010 20 0 CGADHM Cc1cc(C(=O)[N-]c2cc(Cl)ccc2F)on1 ZINC000198250831 346278118 /nfs/dbraw/zinc/27/81/18/346278118.db2.gz MBSXUKOEAGPNNP-UHFFFAOYSA-N -1 3 254.648 3.028 20 0 CGADHM CC(C)[C@]1(C(=O)[O-])CCN(Cc2ccc(F)cc2Cl)C1 ZINC000232751708 346326888 /nfs/dbraw/zinc/32/68/88/346326888.db2.gz DRMMKVSYSJRQFP-HNNXBMFYSA-N -1 3 299.773 3.412 20 0 CGADHM C[C@H]1CCCN(Cc2ccc(F)cc2C(=O)[O-])[C@H]1C ZINC000252181333 346390029 /nfs/dbraw/zinc/39/00/29/346390029.db2.gz QBXOQWWQFYZOOG-QWRGUYRKSA-N -1 3 265.328 3.144 20 0 CGADHM C[C@H]1CCN(Cc2ccc(C(=O)[O-])c(F)c2)C[C@H]1C ZINC000300119437 346436176 /nfs/dbraw/zinc/43/61/76/346436176.db2.gz FIMPPGOQKGMWDV-WDEREUQCSA-N -1 3 265.328 3.002 20 0 CGADHM CSC1CCN(C(=O)c2cc([O-])ccc2Cl)CC1 ZINC000302330917 346441665 /nfs/dbraw/zinc/44/16/65/346441665.db2.gz MWHPVYDZWXHPRZ-UHFFFAOYSA-N -1 3 285.796 3.013 20 0 CGADHM Cc1cc(F)ccc1CN1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000318318017 346486666 /nfs/dbraw/zinc/48/66/66/346486666.db2.gz QJDYHCCLCSSFDJ-KRWDZBQOSA-N -1 3 299.345 3.146 20 0 CGADHM Cc1ccc(C(=O)N[C@H](C2CC2)C2CCC2)c([O-])c1 ZINC000325314475 346491461 /nfs/dbraw/zinc/49/14/61/346491461.db2.gz UMBHQDQUTQAHOQ-HNNXBMFYSA-N -1 3 259.349 3.009 20 0 CGADHM C[C@@H](c1ccc(F)c(F)c1)N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000380213819 346556216 /nfs/dbraw/zinc/55/62/16/346556216.db2.gz IEWOCHHHEFJDQB-JFGNBEQYSA-N -1 3 283.318 3.068 20 0 CGADHM Cc1oc(CN(C)CCC(C)(C)C)cc1C(=O)[O-] ZINC000399682470 346587561 /nfs/dbraw/zinc/58/75/61/346587561.db2.gz BKBYTPOPDAQGGB-UHFFFAOYSA-N -1 3 253.342 3.154 20 0 CGADHM CCCC[C@H](C(=O)[O-])N1CCC[C@@H]1c1ccco1 ZINC000584785360 346714215 /nfs/dbraw/zinc/71/42/15/346714215.db2.gz HYNCDVBIKCWCNP-VXGBXAGGSA-N -1 3 251.326 3.060 20 0 CGADHM CCc1occc1C(=O)N=c1[nH][n-]c(C)c1-c1ccccc1 ZINC000583493164 346679811 /nfs/dbraw/zinc/67/98/11/346679811.db2.gz PPVMPZHYDJULKL-UHFFFAOYSA-N -1 3 295.342 3.215 20 0 CGADHM CSCC1(CC(=O)Nc2cccc(C(C)=O)c2[O-])CC1 ZINC000593707390 347105290 /nfs/dbraw/zinc/10/52/90/347105290.db2.gz MFTGZQCIAACDBJ-UHFFFAOYSA-N -1 3 293.388 3.067 20 0 CGADHM O=C(Nc1cccc2[nH]ccc21)c1cc(C(F)(F)F)n[n-]1 ZINC000339255193 215044872 /nfs/dbraw/zinc/04/48/72/215044872.db2.gz YLUJJWFAFOUSAG-UHFFFAOYSA-N -1 3 294.236 3.162 20 0 CGADHM O=C(Nc1cccc2[nH]ccc21)c1cc(C(F)(F)F)[n-]n1 ZINC000339255193 215044875 /nfs/dbraw/zinc/04/48/75/215044875.db2.gz YLUJJWFAFOUSAG-UHFFFAOYSA-N -1 3 294.236 3.162 20 0 CGADHM Cc1cc(C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)ccc1[O-] ZINC000300416135 232623947 /nfs/dbraw/zinc/62/39/47/232623947.db2.gz KORJQNHDWKUITQ-ZKYQVNSYSA-N -1 3 261.365 3.255 20 0 CGADHM CO[C@@H](CSCc1cc(=O)[n-]c(C2CC2)n1)C1CCC1 ZINC000596364979 347435035 /nfs/dbraw/zinc/43/50/35/347435035.db2.gz CSIRWWQYTOKCEB-ZDUSSCGKSA-N -1 3 294.420 3.108 20 0 CGADHM CC1(C)CC[C@@H](CNCc2cccc([O-])c2Cl)O1 ZINC000339356573 215117486 /nfs/dbraw/zinc/11/74/86/215117486.db2.gz JHFGSGSPASAYIH-NSHDSACASA-N -1 3 269.772 3.093 20 0 CGADHM CC(C)(C)CCC(=O)Nc1n[n-]c(-c2ccccc2F)n1 ZINC000606532193 348189959 /nfs/dbraw/zinc/18/99/59/348189959.db2.gz OCLSIEONPWESNE-UHFFFAOYSA-N -1 3 290.342 3.376 20 0 CGADHM O=C(N[C@H](CC1CC1)c1ccccc1)c1ccc(O)cc1[O-] ZINC000607862915 348268122 /nfs/dbraw/zinc/26/81/22/348268122.db2.gz ZIRSCJRSEZAXJJ-MRXNPFEDSA-N -1 3 297.354 3.369 20 0 CGADHM CO[C@@H](C(=O)Nc1cc(Cl)ccc1[O-])C1CCCC1 ZINC000612754475 348544121 /nfs/dbraw/zinc/54/41/21/348544121.db2.gz MXUBZVLLSVVCLT-CYBMUJFWSA-N -1 3 283.755 3.189 20 0 CGADHM CO[C@H]1CC[C@H](C(=O)Nc2cc(Cl)cc(C)c2[O-])C1 ZINC000613035024 348560776 /nfs/dbraw/zinc/56/07/76/348560776.db2.gz IVDBPFOZOOCAIF-ONGXEEELSA-N -1 3 283.755 3.108 20 0 CGADHM CCN(CCC1CC1)C(=O)c1cc(SC)ccc1[O-] ZINC000613515504 348614336 /nfs/dbraw/zinc/61/43/36/348614336.db2.gz UEINRHAAIGNAGW-UHFFFAOYSA-N -1 3 279.405 3.376 20 0 CGADHM CSc1ccc([O-])c(C(=O)N2CCCC3(CC3)C2)c1 ZINC000613603460 348621700 /nfs/dbraw/zinc/62/17/00/348621700.db2.gz RHLRDHHFDVBYSF-UHFFFAOYSA-N -1 3 277.389 3.130 20 0 CGADHM CSc1ccc([O-])c(C(=O)N2CC3(C2)CCCC3)c1 ZINC000613676601 348627242 /nfs/dbraw/zinc/62/72/42/348627242.db2.gz LQQDWEMVGNMKRC-UHFFFAOYSA-N -1 3 277.389 3.130 20 0 CGADHM C[C@@H]1CCC[C@H]1CC(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000615138295 348717877 /nfs/dbraw/zinc/71/78/77/348717877.db2.gz XQHLDMIUOSHTEA-ZJUUUORDSA-N -1 3 273.336 3.033 20 0 CGADHM C[C@@H](CC(=O)Nc1c([O-])cccc1Cl)[C@@H]1CCCO1 ZINC000615322249 348732003 /nfs/dbraw/zinc/73/20/03/348732003.db2.gz OSAZUAFQQDSXSR-CABZTGNLSA-N -1 3 283.755 3.189 20 0 CGADHM C[C@H]1CC=C(C(=O)NCc2ccc([O-])c3ncccc23)CC1 ZINC000616020935 348781859 /nfs/dbraw/zinc/78/18/59/348781859.db2.gz SDRJFWXWCJCSBI-LBPRGKRZSA-N -1 3 296.370 3.303 20 0 CGADHM CCOC1(C(=O)Nc2ccc([O-])cc2Cl)CCCC1 ZINC000616940019 348885013 /nfs/dbraw/zinc/88/50/13/348885013.db2.gz SFTWCMVKSVBSII-UHFFFAOYSA-N -1 3 283.755 3.333 20 0 CGADHM COCCN(Cc1cccs1)Cc1cc([O-])cc(F)c1 ZINC000352002980 219284296 /nfs/dbraw/zinc/28/42/96/219284296.db2.gz OODNTJYHIQTRQY-UHFFFAOYSA-N -1 3 295.379 3.241 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-]CC[C@H]2CCC[C@@H](C)C2)o1 ZINC000358426037 233130804 /nfs/dbraw/zinc/13/08/04/233130804.db2.gz MKKYSCCYYNODIS-DGCLKSJQSA-N -1 3 285.409 3.083 20 0 CGADHM COC1CC(CCNC(=O)c2ccc(C(C)C)cc2[O-])C1 ZINC000617031459 348902297 /nfs/dbraw/zinc/90/22/97/348902297.db2.gz DJIVOZQJCFYVRP-UHFFFAOYSA-N -1 3 291.391 3.061 20 0 CGADHM Cc1cccc(CNC(=O)c2ccc(C(C)C)cc2[O-])n1 ZINC000617104680 348919869 /nfs/dbraw/zinc/91/98/69/348919869.db2.gz GIWJXCVINZCWNE-UHFFFAOYSA-N -1 3 284.359 3.149 20 0 CGADHM Cc1cc(C)c(-c2cc(=NC(=O)[C@H]3C[C@@H]3C)[nH][n-]2)cc1C ZINC000617357408 348951277 /nfs/dbraw/zinc/95/12/77/348951277.db2.gz OBYNGUJKYJZANC-JSGCOSHPSA-N -1 3 283.375 3.018 20 0 CGADHM [O-]c1ccc(F)c(CNCCc2cccs2)c1F ZINC000352007747 219287161 /nfs/dbraw/zinc/28/71/61/219287161.db2.gz YRHXGOPHZFRUAC-UHFFFAOYSA-N -1 3 269.316 3.064 20 0 CGADHM O=c1cc(C=Cc2ccccc2F)nc(C2CC2)[n-]1 ZINC000352022072 219291906 /nfs/dbraw/zinc/29/19/06/219291906.db2.gz UWYAEPNLCLMYCP-BQYQJAHWSA-N -1 3 256.280 3.369 20 0 CGADHM O=c1cc(C=Cc2ccc3c(c2)CCO3)nc(C2CC2)[n-]1 ZINC000352027614 219292159 /nfs/dbraw/zinc/29/21/59/219292159.db2.gz QCBSPTBLBQTRKM-ORCRQEGFSA-N -1 3 280.327 3.165 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2ccc3c(c2)CCOC3)c1 ZINC000618845370 349161667 /nfs/dbraw/zinc/16/16/67/349161667.db2.gz ZJXIIEPISSPHOM-UHFFFAOYSA-N -1 3 297.354 3.280 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2ccc(F)cc2Cl)n1 ZINC000352034362 219297032 /nfs/dbraw/zinc/29/70/32/219297032.db2.gz AERBQYMPBOOYHO-HYXAFXHYSA-N -1 3 264.687 3.454 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2ccnn2-c2ccccc2C)n1 ZINC000352035873 219298981 /nfs/dbraw/zinc/29/89/81/219298981.db2.gz UOLXILASISTELK-BQYQJAHWSA-N -1 3 292.342 3.155 20 0 CGADHM CC1(C)C[C@]1(C)NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000620075751 349319418 /nfs/dbraw/zinc/31/94/18/349319418.db2.gz BXUHSJHCISNCLQ-INIZCTEOSA-N -1 3 279.355 3.159 20 0 CGADHM O=C(c1cc2c(cc1[O-])CCCC2)N1C2CCC1CC2 ZINC000620394707 349369064 /nfs/dbraw/zinc/36/90/64/349369064.db2.gz COESLWIJCLKKEW-UHFFFAOYSA-N -1 3 271.360 3.038 20 0 CGADHM C[C@@H](O)CN(Cc1cc([O-])ccc1Cl)c1ccccc1 ZINC000625190097 350138363 /nfs/dbraw/zinc/13/83/63/350138363.db2.gz UCZSGRFKYURIPR-GFCCVEGCSA-N -1 3 291.778 3.433 20 0 CGADHM Cc1ccc(CN(C)C(=O)c2c(C)cccc2[O-])s1 ZINC000625210711 350140766 /nfs/dbraw/zinc/14/07/66/350140766.db2.gz FWQCKJRFRXPIOS-UHFFFAOYSA-N -1 3 275.373 3.343 20 0 CGADHM CCC1(CO)CCN(Cc2cc([O-])ccc2Cl)CC1 ZINC000625275357 350151548 /nfs/dbraw/zinc/15/15/48/350151548.db2.gz IMAVSIWVUWDNBE-UHFFFAOYSA-N -1 3 283.799 3.030 20 0 CGADHM COc1ccc(CNCc2c(F)ccc([O-])c2F)cc1F ZINC000352071567 219311071 /nfs/dbraw/zinc/31/10/71/219311071.db2.gz JYIRCOJVSMKCDU-UHFFFAOYSA-N -1 3 297.276 3.108 20 0 CGADHM CCCO[C@H]1CCCN(C(=O)c2c(C)cccc2[O-])CC1 ZINC000625383146 350165940 /nfs/dbraw/zinc/16/59/40/350165940.db2.gz KKJTZFTZIYVRKW-AWEZNQCLSA-N -1 3 291.391 3.122 20 0 CGADHM CCn1cc([C@@H](C)NCc2cc([O-])ccc2Cl)cn1 ZINC000625462263 350175098 /nfs/dbraw/zinc/17/50/98/350175098.db2.gz NQPDRAXNCVELON-SNVBAGLBSA-N -1 3 279.771 3.113 20 0 CGADHM [O-]c1ccc(Cl)c(CN2CCCC[C@@H]2c2cc[nH]n2)c1 ZINC000625422719 350169632 /nfs/dbraw/zinc/16/96/32/350169632.db2.gz SSXIADQRXFPXSW-OAHLLOKOSA-N -1 3 291.782 3.496 20 0 CGADHM CCN(C(=O)c1cc2c(cc1[O-])CCCC2)C(C)C ZINC000271308776 191065003 /nfs/dbraw/zinc/06/50/03/191065003.db2.gz WGQGQKGWXRFSEX-UHFFFAOYSA-N -1 3 261.365 3.142 20 0 CGADHM C/C=C\C[C@H]1CCCN(Cc2ccoc2C(=O)[O-])C1 ZINC000625971730 350238711 /nfs/dbraw/zinc/23/87/11/350238711.db2.gz XDRINYQJGHZDBO-DLGQBQFBSA-N -1 3 263.337 3.156 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1C[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000626416974 350303975 /nfs/dbraw/zinc/30/39/75/350303975.db2.gz VVOQAJNMRPPRLJ-MJBXVCDLSA-N -1 3 273.376 3.351 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1C[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000626416973 350304337 /nfs/dbraw/zinc/30/43/37/350304337.db2.gz VVOQAJNMRPPRLJ-MELADBBJSA-N -1 3 273.376 3.351 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1C[C@@H](C)C[C@@H]1c1cccnc1 ZINC000626445578 350307419 /nfs/dbraw/zinc/30/74/19/350307419.db2.gz FTPULHCKTRXSJM-SWLSCSKDSA-N -1 3 296.370 3.319 20 0 CGADHM O=C(Nc1cc(C(F)(F)F)ccc1[O-])C12CC(C1)C2 ZINC000626278033 350291036 /nfs/dbraw/zinc/29/10/36/350291036.db2.gz CHUDCCRZXHFLSR-UHFFFAOYSA-N -1 3 271.238 3.150 20 0 CGADHM Cc1ccc(C(=O)N(CC(F)F)C(C)C)c([O-])c1C ZINC000271377800 191107099 /nfs/dbraw/zinc/10/70/99/191107099.db2.gz JWLDEDRSHFQBIP-UHFFFAOYSA-N -1 3 271.307 3.125 20 0 CGADHM CCc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)S3)c([O-])c1 ZINC000628651215 350584547 /nfs/dbraw/zinc/58/45/47/350584547.db2.gz IXMRDMSOJYSUND-OLZOCXBDSA-N -1 3 291.416 3.065 20 0 CGADHM COc1ccc(C=Cc2nc(C)cc(=O)[n-]2)cc1OC1CC1 ZINC000629074945 350647706 /nfs/dbraw/zinc/64/77/06/350647706.db2.gz FVARPGRLNZTNRO-YWEYNIOJSA-N -1 3 298.342 3.211 20 0 CGADHM CCc1ccc(C(=O)N2Cc3cccc(OC)c3C2)c([O-])c1 ZINC000629113888 350653368 /nfs/dbraw/zinc/65/33/68/350653368.db2.gz FLAVYRWMQLAKPN-UHFFFAOYSA-N -1 3 297.354 3.119 20 0 CGADHM C/C=C\C[C@@H]1CCCN(Cc2cc(C(=O)[O-])oc2C)C1 ZINC000629376090 350683546 /nfs/dbraw/zinc/68/35/46/350683546.db2.gz RIPPBRZEVOHEJD-DHCBQETCSA-N -1 3 277.364 3.464 20 0 CGADHM O=C([O-])[C@@H]1CCN(Cc2sccc2Cl)[C@H]2CCC[C@@H]21 ZINC000629375225 350683577 /nfs/dbraw/zinc/68/35/77/350683577.db2.gz YLSUEBBKVJJTFM-FOGDFJRCSA-N -1 3 299.823 3.477 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CCCC3(CC3)CC2)c1 ZINC000629645022 350728178 /nfs/dbraw/zinc/72/81/78/350728178.db2.gz NFBOLJYHLHCNGB-UHFFFAOYSA-N -1 3 273.376 3.361 20 0 CGADHM CCc1cccc(C(=O)N2CCCC3(CC3)CC2)c1[O-] ZINC000629645059 350728403 /nfs/dbraw/zinc/72/84/03/350728403.db2.gz NQQPDAWAOSUUOS-UHFFFAOYSA-N -1 3 273.376 3.361 20 0 CGADHM Cc1cc(C(=O)NC[C@@H]2CCCC23CC3)ccc1[O-] ZINC000629830078 350770536 /nfs/dbraw/zinc/77/05/36/350770536.db2.gz KIWMRKDLWCYVLZ-ZDUSSCGKSA-N -1 3 259.349 3.011 20 0 CGADHM CSc1cc(C(=O)N2CCCc3cccc([O-])c32)co1 ZINC000632224509 351181425 /nfs/dbraw/zinc/18/14/25/351181425.db2.gz CSHCQNLTEJTOMN-UHFFFAOYSA-N -1 3 289.356 3.300 20 0 CGADHM CC(C)(C(=O)Nc1ccc([O-])cc1F)[C@@H]1CCCCO1 ZINC000632344108 351194349 /nfs/dbraw/zinc/19/43/49/351194349.db2.gz NPVLRJYELLUOAK-ZDUSSCGKSA-N -1 3 281.327 3.065 20 0 CGADHM COc1ccc([N-]C(=O)c2nnc(C(C)C)s2)c(F)c1 ZINC000633816093 351383197 /nfs/dbraw/zinc/38/31/97/351383197.db2.gz CPVHSBCRHJQPBO-UHFFFAOYSA-N -1 3 295.339 3.062 20 0 CGADHM Cc1ccc(NC(=O)Cc2cnc3ccccc3c2)c([O-])c1 ZINC000118760477 186782812 /nfs/dbraw/zinc/78/28/12/186782812.db2.gz GPDRODRKDPNXKT-UHFFFAOYSA-N -1 3 292.338 3.430 20 0 CGADHM Cc1[n-]n(Cc2cccc(C(F)(F)F)c2)c(=O)c1C1CC1 ZINC000634590860 351527886 /nfs/dbraw/zinc/52/78/86/351527886.db2.gz MDUIGZXHQVCIGE-CYBMUJFWSA-N -1 3 296.292 3.450 20 0 CGADHM CCc1c(-c2cccc(C)c2)[n-]n(C23CC(C2)C3)c1=O ZINC000634624344 351548951 /nfs/dbraw/zinc/54/89/51/351548951.db2.gz FFZCQMDDVXMZIH-KDJCLPLCSA-N -1 3 268.360 3.120 20 0 CGADHM CC(C)(C)CCS(=O)(=O)[N-]c1cccc2cnccc21 ZINC000634798283 351587695 /nfs/dbraw/zinc/58/76/95/351587695.db2.gz QTXDRRRVOAFLOY-UHFFFAOYSA-N -1 3 292.404 3.413 20 0 CGADHM O=C([O-])CCCCNCc1csc(-c2cccs2)n1 ZINC000635315442 351649677 /nfs/dbraw/zinc/64/96/77/351649677.db2.gz MYNULPOKOSXIQP-UHFFFAOYSA-N -1 3 296.417 3.216 20 0 CGADHM CCc1cc(C(=O)N(C)[C@@H](C)c2ccncc2)ccc1[O-] ZINC000291493962 198037069 /nfs/dbraw/zinc/03/70/69/198037069.db2.gz LWIMIGXHXYVJFV-LBPRGKRZSA-N -1 3 284.359 3.183 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])c1cc(-c2ccccc2)on1 ZINC000121872405 187002181 /nfs/dbraw/zinc/00/21/81/187002181.db2.gz UILHOZCIZUXTKH-UHFFFAOYSA-N -1 3 298.273 3.439 20 0 CGADHM CCn1nc(C)c(C(=O)Nc2ccc(C)cc2[O-])c1Cl ZINC000122541852 187037387 /nfs/dbraw/zinc/03/73/87/187037387.db2.gz JMJBVYQTEDMSNB-UHFFFAOYSA-N -1 3 293.754 3.131 20 0 CGADHM CCc1cc(C(=O)NC(C)(C)c2nccs2)ccc1[O-] ZINC000291950326 198115247 /nfs/dbraw/zinc/11/52/47/198115247.db2.gz ODFCVDXAVOYHAD-UHFFFAOYSA-N -1 3 290.388 3.076 20 0 CGADHM O=C([N-]OCc1ccc(C(F)(F)F)cc1)C1[C@@H]2CCC[C@H]12 ZINC000153201521 188070668 /nfs/dbraw/zinc/07/06/68/188070668.db2.gz BVEXXMUKNUFIEM-FUNVUKJBSA-N -1 3 299.292 3.299 20 0 CGADHM CC(C)CO[N-]C(=O)C[C@H](C)c1cccc(F)c1 ZINC000153603197 188091897 /nfs/dbraw/zinc/09/18/97/188091897.db2.gz SMHALPXAPMDWNC-NSHDSACASA-N -1 3 253.317 3.023 20 0 CGADHM CC(C)CO[N-]C(=O)C[C@@H](C)c1ccc(F)cc1F ZINC000153499083 188086575 /nfs/dbraw/zinc/08/65/75/188086575.db2.gz WLQGINQNFXXYRI-SNVBAGLBSA-N -1 3 271.307 3.162 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)Nc1ccc2cnn(CC)c2c1 ZINC000292475621 198302035 /nfs/dbraw/zinc/30/20/35/198302035.db2.gz AAIAAMCVTZYFML-NSHDSACASA-N -1 3 290.367 3.155 20 0 CGADHM C[C@@H]([N-]c1nnc(C(F)F)o1)c1c(F)cccc1F ZINC000292484691 198305999 /nfs/dbraw/zinc/30/59/99/198305999.db2.gz MDDGEZQOWUFAPA-RXMQYKEDSA-N -1 3 275.205 3.459 20 0 CGADHM CC(C)Oc1ccc(NC([O-])=NO[C@H]2CCCCO2)cc1 ZINC000155751514 188224706 /nfs/dbraw/zinc/22/47/06/188224706.db2.gz NOBIZBVLIVAZGN-AWEZNQCLSA-N -1 3 294.351 3.054 20 0 CGADHM CC(C)Oc1ccc(NC(=O)[N-]O[C@H]2CCCCO2)cc1 ZINC000155751514 188224707 /nfs/dbraw/zinc/22/47/07/188224707.db2.gz NOBIZBVLIVAZGN-AWEZNQCLSA-N -1 3 294.351 3.054 20 0 CGADHM CC[C@H](C)CON=C([O-])Nc1cc(F)c(OC)cc1F ZINC000292635413 198358980 /nfs/dbraw/zinc/35/89/80/198358980.db2.gz GZEQGUFMCMMHEB-QMMMGPOBSA-N -1 3 288.294 3.073 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)Nc1cc(F)c(OC)cc1F ZINC000292635413 198358981 /nfs/dbraw/zinc/35/89/81/198358981.db2.gz GZEQGUFMCMMHEB-QMMMGPOBSA-N -1 3 288.294 3.073 20 0 CGADHM COc1ccc([O-])c(-c2nc([C@@H]3CCCCS3)no2)c1 ZINC000157878856 188344087 /nfs/dbraw/zinc/34/40/87/188344087.db2.gz QJGRFHIWHCFFHQ-LBPRGKRZSA-N -1 3 292.360 3.409 20 0 CGADHM CC(C)c1ccc(C(=O)Nc2ccc([O-])cc2F)cn1 ZINC000336390924 213247778 /nfs/dbraw/zinc/24/77/78/213247778.db2.gz KCTLHNQABDENEU-UHFFFAOYSA-N -1 3 274.295 3.302 20 0 CGADHM Cc1cc([N-]S(=O)(=O)c2ccoc2)c(Cl)cc1F ZINC000336369731 213223438 /nfs/dbraw/zinc/22/34/38/213223438.db2.gz DWYLBVYOQHGLAC-UHFFFAOYSA-N -1 3 289.715 3.181 20 0 CGADHM Cc1cc(NC([O-])=NOC2CCCC2)cnc1Cl ZINC000271774094 191319298 /nfs/dbraw/zinc/31/92/98/191319298.db2.gz DUKNBODKDOBAJF-UHFFFAOYSA-N -1 3 269.732 3.039 20 0 CGADHM Cc1cc(NC(=O)[N-]OC2CCCC2)cnc1Cl ZINC000271774094 191319301 /nfs/dbraw/zinc/31/93/01/191319301.db2.gz DUKNBODKDOBAJF-UHFFFAOYSA-N -1 3 269.732 3.039 20 0 CGADHM O=C(CCCOc1ccc(F)cc1F)[N-]OC1CCCC1 ZINC000271820490 191347084 /nfs/dbraw/zinc/34/70/84/191347084.db2.gz VSRXHFWDMMTJMH-UHFFFAOYSA-N -1 3 299.317 3.114 20 0 CGADHM FC(F)(F)c1csc(=NCCC2CC(F)(F)C2)[n-]1 ZINC000413333840 235269385 /nfs/dbraw/zinc/26/93/85/235269385.db2.gz JQWYCCHDSKIMSI-UHFFFAOYSA-N -1 3 286.269 3.431 20 0 CGADHM Cc1noc([N-]C(=O)C(F)(F)c2ccc(C)cc2)c1C ZINC000272509808 191758654 /nfs/dbraw/zinc/75/86/54/191758654.db2.gz JXCUYFQELRMAEP-UHFFFAOYSA-N -1 3 280.274 3.330 20 0 CGADHM Cc1nc(C2CC2)oc1C(=O)Nc1c(C)cccc1[O-] ZINC000273669149 192254855 /nfs/dbraw/zinc/25/48/55/192254855.db2.gz DGQAYNQVNVKUEH-UHFFFAOYSA-N -1 3 272.304 3.127 20 0 CGADHM O=C(Nc1ccncc1[O-])[C@H]1C[C@@H]1c1ccccc1Cl ZINC000109890630 138361921 /nfs/dbraw/zinc/36/19/21/138361921.db2.gz YWISDVVGCOFNPQ-MNOVXSKESA-N -1 3 288.734 3.183 20 0 CGADHM Cc1cccc([C@@H](C)NC(=O)c2ccc3n[n-]nc3c2)c1C ZINC000115492564 138365820 /nfs/dbraw/zinc/36/58/20/138365820.db2.gz LYDQIQIOTUFRBB-GFCCVEGCSA-N -1 3 294.358 3.066 20 0 CGADHM CC(C)c1cc(C(=O)Nc2ccc([O-])cc2F)cc(=O)[nH]1 ZINC000124438357 138375263 /nfs/dbraw/zinc/37/52/63/138375263.db2.gz YEHJCLZICSAXND-UHFFFAOYSA-N -1 3 290.294 3.008 20 0 CGADHM Cc1ncccc1C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000125340699 138381310 /nfs/dbraw/zinc/38/13/10/138381310.db2.gz MSHBMCUZKUDZCE-UHFFFAOYSA-N -1 3 296.248 3.367 20 0 CGADHM Cc1ccc([C@H](NCc2cccc3[nH]ccc32)C(=O)[O-])cc1 ZINC000426701002 236307105 /nfs/dbraw/zinc/30/71/05/236307105.db2.gz WZKJSYSFBKIOSN-KRWDZBQOSA-N -1 3 294.354 3.392 20 0 CGADHM COc1cccc(C(=O)N2CC(C)(C)[C@H]3CCC[C@H]32)c1[O-] ZINC000294673994 199129123 /nfs/dbraw/zinc/12/91/23/199129123.db2.gz JGLYUGXOXWNPRF-QWHCGFSZSA-N -1 3 289.375 3.052 20 0 CGADHM CO[C@@H]1CCN(Cc2cccc([O-])c2Cl)[C@@H](C)C1 ZINC000294694065 199137873 /nfs/dbraw/zinc/13/78/73/199137873.db2.gz NRTVKASXFPRPIK-CMPLNLGQSA-N -1 3 269.772 3.045 20 0 CGADHM CC1(C)CN(C(=O)c2ccccc2[O-])[C@H]2CCC[C@H]21 ZINC000294756503 199169265 /nfs/dbraw/zinc/16/92/65/199169265.db2.gz MZAXKVMLSNFSTP-OLZOCXBDSA-N -1 3 259.349 3.043 20 0 CGADHM CC(C)(C(=O)Nc1cccc([O-])c1F)C1CCC1 ZINC000336186554 213005131 /nfs/dbraw/zinc/00/51/31/213005131.db2.gz YMYAYXVMQCNHJQ-UHFFFAOYSA-N -1 3 251.301 3.296 20 0 CGADHM CCC[C@@H](OC)C(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000294860116 199217658 /nfs/dbraw/zinc/21/76/58/199217658.db2.gz OFFOHUXIGBDGON-LLVKDONJSA-N -1 3 291.269 3.165 20 0 CGADHM COC[C@@H](C)Cc1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000436620352 237144255 /nfs/dbraw/zinc/14/42/55/237144255.db2.gz VIMXRXSIHSWOJX-NSHDSACASA-N -1 3 298.342 3.420 20 0 CGADHM Cc1nn(C)c2cc(NC(=O)c3cc(C)ccc3[O-])ccc12 ZINC000436639003 237149742 /nfs/dbraw/zinc/14/97/42/237149742.db2.gz AXSGVAVXRDCPDN-UHFFFAOYSA-N -1 3 295.342 3.148 20 0 CGADHM Cc1cccc([C@@H](C)NC(=O)c2c([O-])cccc2O)c1C ZINC000436650923 237151701 /nfs/dbraw/zinc/15/17/01/237151701.db2.gz YOEGGRAWHYKWEX-GFCCVEGCSA-N -1 3 285.343 3.206 20 0 CGADHM COC1CN(C(=O)c2cc(C(C)C)cc(C(C)C)c2[O-])C1 ZINC000436548068 237128173 /nfs/dbraw/zinc/12/81/73/237128173.db2.gz LSQQQWGMLWHKMD-UHFFFAOYSA-N -1 3 291.391 3.110 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)c2ncccc2C)c1[O-] ZINC000436811942 237185771 /nfs/dbraw/zinc/18/57/71/237185771.db2.gz WQEOCBXMGVVTNE-UHFFFAOYSA-N -1 3 276.723 3.310 20 0 CGADHM Cc1cc(C(=O)NCCC2C[C@@H](C)O[C@H](C)C2)ccc1[O-] ZINC000436710398 237161444 /nfs/dbraw/zinc/16/14/44/237161444.db2.gz SXIDDQHCMMDFHE-CHWSQXEVSA-N -1 3 291.391 3.024 20 0 CGADHM C[C@@H](CC1CCCCC1)NC(=O)c1ccc(O)cc1[O-] ZINC000436702018 237162705 /nfs/dbraw/zinc/16/27/05/237162705.db2.gz CPWBHVFXOVXINV-NSHDSACASA-N -1 3 277.364 3.187 20 0 CGADHM Cc1ccc(C(=O)NCc2cc(F)cc(F)c2)c([O-])c1C ZINC000436766612 237177824 /nfs/dbraw/zinc/17/78/24/237177824.db2.gz DQHXDKAGBYONKY-UHFFFAOYSA-N -1 3 291.297 3.217 20 0 CGADHM CO[C@@](C)(c1noc(-c2ccc(C)c(C)c2[O-])n1)C1CC1 ZINC000436952789 237222051 /nfs/dbraw/zinc/22/20/51/237222051.db2.gz YTAZCKYTJZBVGQ-MRXNPFEDSA-N -1 3 288.347 3.331 20 0 CGADHM Cc1cc(C(=O)N2CC[C@@H](C)C(C)(C)C2)ccc1[O-] ZINC000436956533 237222835 /nfs/dbraw/zinc/22/28/35/237222835.db2.gz RYKRVPJZNWZWSA-GFCCVEGCSA-N -1 3 261.365 3.209 20 0 CGADHM C[C@@H]1C[C@@H](C(C)(C)C)CCN1C(=O)c1ccc(O)cc1[O-] ZINC000436844838 237192499 /nfs/dbraw/zinc/19/24/99/237192499.db2.gz HKBKNUUJRSWFMA-NEPJUHHUSA-N -1 3 291.391 3.385 20 0 CGADHM Cc1ccc(Cc2noc(-c3ccccc3[O-])n2)s1 ZINC000436883577 237200395 /nfs/dbraw/zinc/20/03/95/237200395.db2.gz BFZUGASYNHUINO-UHFFFAOYSA-N -1 3 272.329 3.403 20 0 CGADHM CC(C)ON=C([O-])Nc1nc2c(s1)CCCC2(C)C ZINC000297268504 200130224 /nfs/dbraw/zinc/13/02/24/200130224.db2.gz DEMOXLZVTWGBQY-UHFFFAOYSA-N -1 3 283.397 3.219 20 0 CGADHM CC(C)O[N-]C(=O)Nc1nc2c(s1)CCCC2(C)C ZINC000297268504 200130225 /nfs/dbraw/zinc/13/02/25/200130225.db2.gz DEMOXLZVTWGBQY-UHFFFAOYSA-N -1 3 283.397 3.219 20 0 CGADHM CCCCCOC1CN(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000341749191 216088126 /nfs/dbraw/zinc/08/81/26/216088126.db2.gz DZYWTOIPRQRSGI-UHFFFAOYSA-N -1 3 297.782 3.077 20 0 CGADHM CC(C)[C@@H]1CN(C(=O)[N-]c2cnns2)c2ccccc21 ZINC000297679519 200259775 /nfs/dbraw/zinc/25/97/75/200259775.db2.gz GBPZIKQFCQTQTL-NSHDSACASA-N -1 3 288.376 3.330 20 0 CGADHM Cc1nc(C(C)C)oc1C(=O)[N-]c1sccc1C#N ZINC000297727096 200269452 /nfs/dbraw/zinc/26/94/52/200269452.db2.gz FFMNCPVTGFJKOV-UHFFFAOYSA-N -1 3 275.333 3.292 20 0 CGADHM CC(F)(F)c1cccc(NC(=O)[N-]OCC2CC2)c1 ZINC000297869805 200295646 /nfs/dbraw/zinc/29/56/46/200295646.db2.gz QBTOSIFUROGVHG-UHFFFAOYSA-N -1 3 270.279 3.261 20 0 CGADHM CCOc1cc(CN2C[C@@H](C)OC[C@H]2C)cc(Cl)c1[O-] ZINC000297965839 200310690 /nfs/dbraw/zinc/31/06/90/200310690.db2.gz WWWCNALCFHAYAZ-GHMZBOCLSA-N -1 3 299.798 3.054 20 0 CGADHM Cc1cccc(C(=O)N([C@H](C)C2CC2)C2CC2)c1[O-] ZINC000298287733 200384280 /nfs/dbraw/zinc/38/42/80/200384280.db2.gz DLBKHZDMOTWJES-LLVKDONJSA-N -1 3 259.349 3.104 20 0 CGADHM Cc1cccc([O-])c1NC(=O)C[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000179551568 189201809 /nfs/dbraw/zinc/20/18/09/189201809.db2.gz MVQWSJZFAUUMPG-XQQFMLRXSA-N -1 3 259.349 3.465 20 0 CGADHM Cc1cccc([O-])c1NC(=O)C[C@H]1C[C@H]2CC[C@@H]1C2 ZINC000179551584 189201929 /nfs/dbraw/zinc/20/19/29/189201929.db2.gz MVQWSJZFAUUMPG-YNEHKIRRSA-N -1 3 259.349 3.465 20 0 CGADHM CC(C)c1cnc(C[N-]c2nc(C(C)C)no2)s1 ZINC000181723629 189304809 /nfs/dbraw/zinc/30/48/09/189304809.db2.gz PSHQCGVOTFZGTF-UHFFFAOYSA-N -1 3 266.370 3.385 20 0 CGADHM COc1ccc([C@@H](C)CCNC(=O)c2cccc([O-])c2)cc1 ZINC000182503283 189325862 /nfs/dbraw/zinc/32/58/62/189325862.db2.gz XQVVCQSEXSNMAQ-ZDUSSCGKSA-N -1 3 299.370 3.324 20 0 CGADHM CCC[C@H](C)[C@H]1CCCN1C(=O)c1ccc(O)cc1[O-] ZINC000182830073 189336647 /nfs/dbraw/zinc/33/66/47/189336647.db2.gz YXKXIFHFPHSOLY-SMDDNHRTSA-N -1 3 277.364 3.139 20 0 CGADHM C[C@H]1[C@H](C(F)(F)F)CCCN1C(=O)c1cccc([O-])c1 ZINC000336234003 291295135 /nfs/dbraw/zinc/29/51/35/291295135.db2.gz APKHIPDOJDVHQX-JOYOIKCWSA-N -1 3 287.281 3.195 20 0 CGADHM [O-]c1ccc(F)c(CNCC2=CCCCC2)c1F ZINC000449375407 239361292 /nfs/dbraw/zinc/36/12/92/239361292.db2.gz GZWBJJHAPBGJRF-UHFFFAOYSA-N -1 3 253.292 3.260 20 0 CGADHM [O-]c1ccc(CNCc2ccccc2OC(F)F)cc1F ZINC000120497757 370774441 /nfs/dbraw/zinc/77/44/41/370774441.db2.gz XWQLFSAEFRQXBY-UHFFFAOYSA-N -1 3 297.276 3.423 20 0 CGADHM Cc1ccc(NC(=O)c2cccc3c2CC(=O)CC3)c([O-])c1 ZINC000335673682 212393866 /nfs/dbraw/zinc/39/38/66/212393866.db2.gz TZJLIJDAACTEHC-UHFFFAOYSA-N -1 3 295.338 3.011 20 0 CGADHM Cc1csc(S(=O)(=O)[N-][C@@H](C)c2cc(C)oc2C)c1 ZINC000451123858 240226578 /nfs/dbraw/zinc/22/65/78/240226578.db2.gz BVUKCDRVFFQDKF-JTQLQIEISA-N -1 3 299.417 3.306 20 0 CGADHM CCC[C@H](NCc1nc(CC)cc(=O)[n-]1)C(C)(C)C ZINC000451436261 240302772 /nfs/dbraw/zinc/30/27/72/240302772.db2.gz KBVSJNQQMUANKR-LBPRGKRZSA-N -1 3 265.401 3.049 20 0 CGADHM CC(C)(C)[C@H]1CCCN(C(=O)Cc2ccc([O-])c(F)c2)C1 ZINC000451371796 240287406 /nfs/dbraw/zinc/28/74/06/240287406.db2.gz FKMSNBDVENBYEN-ZDUSSCGKSA-N -1 3 293.382 3.359 20 0 CGADHM CC[C@@H]1CCN1C(=O)c1cc([O-])ccc1C(F)(F)F ZINC000335560063 212267993 /nfs/dbraw/zinc/26/79/93/212267993.db2.gz TWDRIBIBCMMNSI-MRVPVSSYSA-N -1 3 273.254 3.036 20 0 CGADHM C[C@H]1Cc2ccccc2N1Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459306021 242063029 /nfs/dbraw/zinc/06/30/29/242063029.db2.gz IEVLXSDXHNXVRI-NSHDSACASA-N -1 3 281.359 3.011 20 0 CGADHM Cc1ccc(C)c(CN(C)Cc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000459430084 242106278 /nfs/dbraw/zinc/10/62/78/242106278.db2.gz RFZSISHMOALAOB-UHFFFAOYSA-N -1 3 297.402 3.308 20 0 CGADHM Cc1ccc([O-])c(C(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)c1 ZINC000460591614 242272459 /nfs/dbraw/zinc/27/24/59/242272459.db2.gz OOWQLAFBACRYDT-MELADBBJSA-N -1 3 273.376 3.399 20 0 CGADHM Cc1ccc([O-])c(C(=O)N[C@@H]2COc3c2ccc(C)c3C)c1 ZINC000476294102 243004731 /nfs/dbraw/zinc/00/47/31/243004731.db2.gz QESPFAFZLHFJPH-OAHLLOKOSA-N -1 3 297.354 3.181 20 0 CGADHM Cc1cc(C)cc(-c2cc(=NC(=O)[C@@H](C)C3CC3)[nH][n-]2)c1 ZINC000477575640 243050614 /nfs/dbraw/zinc/05/06/14/243050614.db2.gz FBJPLVAKTLIWEY-LBPRGKRZSA-N -1 3 283.375 3.100 20 0 CGADHM Cc1cc(C(=O)N[C@@H](c2ccccc2)C(F)F)ccc1[O-] ZINC000481827453 243208495 /nfs/dbraw/zinc/20/84/95/243208495.db2.gz ZGYHFFNXYNJAIE-AWEZNQCLSA-N -1 3 291.297 3.437 20 0 CGADHM CCc1cc(C(=O)Nc2ccccc2COC)ccc1[O-] ZINC000485710890 243338047 /nfs/dbraw/zinc/33/80/47/243338047.db2.gz PKZFKIVLMWGZHI-UHFFFAOYSA-N -1 3 285.343 3.353 20 0 CGADHM Cc1cccc([O-])c1NC(=O)CC1(C(F)(F)F)CC1 ZINC000486952042 243384560 /nfs/dbraw/zinc/38/45/60/243384560.db2.gz AQDQZQLXCXAYBQ-UHFFFAOYSA-N -1 3 273.254 3.372 20 0 CGADHM Cc1cccc(C(=O)Nc2ccc(F)cc2C)c1[O-] ZINC000019840179 368771669 /nfs/dbraw/zinc/77/16/69/368771669.db2.gz WEHJSMBLYFHCRG-UHFFFAOYSA-N -1 3 259.280 3.400 20 0 CGADHM CN(CC1CCCCC1)C(=O)c1c[n-]c2ccccc2c1=O ZINC000033008384 368956808 /nfs/dbraw/zinc/95/68/08/368956808.db2.gz HCSIEGOSJZLAHH-UHFFFAOYSA-N -1 3 298.386 3.180 20 0 CGADHM COc1cc(C(=O)NCCCCCCSC)ccc1[O-] ZINC000276023976 193191540 /nfs/dbraw/zinc/19/15/40/193191540.db2.gz SQYIHILFESRDLU-UHFFFAOYSA-N -1 3 297.420 3.054 20 0 CGADHM CC1=C(C)CN(Cc2c(F)ccc([O-])c2F)CC1 ZINC000353285729 220008722 /nfs/dbraw/zinc/00/87/22/220008722.db2.gz JUAPHOZQQAZQPF-UHFFFAOYSA-N -1 3 253.292 3.213 20 0 CGADHM O=C(/C=C\c1ccc(C(F)(F)F)cc1)[N-]OCC(F)F ZINC000492619530 243994160 /nfs/dbraw/zinc/99/41/60/243994160.db2.gz CURNZGXVSZLLQG-UTCJRWHESA-N -1 3 295.207 3.032 20 0 CGADHM O=C(Nc1ccc(-c2cc[nH]n2)cc1)c1cccc([O-])c1 ZINC000041017432 369168607 /nfs/dbraw/zinc/16/86/07/369168607.db2.gz ARZXQYZMWKFHRT-UHFFFAOYSA-N -1 3 279.299 3.035 20 0 CGADHM O=C(/C=C/c1cncs1)Nc1ccc(Cl)cc1[O-] ZINC000493167886 244110540 /nfs/dbraw/zinc/11/05/40/244110540.db2.gz BDIWXXHBTNDSBH-DUXPYHPUSA-N -1 3 280.736 3.154 20 0 CGADHM O=C(/C=C\c1ccnc2ccccc12)[N-]OC/C=C/Cl ZINC000493197752 244116463 /nfs/dbraw/zinc/11/64/63/244116463.db2.gz YYNOSCUOFZXGGL-GJYWQOCOSA-N -1 3 288.734 3.048 20 0 CGADHM Cc1cccc(C(=O)N(C)C2CCC(C)CC2)c1[O-] ZINC000042315512 369213902 /nfs/dbraw/zinc/21/39/02/369213902.db2.gz FPZITADHJABLQA-UHFFFAOYSA-N -1 3 261.365 3.351 20 0 CGADHM CC(=O)c1cc(NC(=O)C=Cc2cccc([O-])c2)ccc1F ZINC000493731673 244220990 /nfs/dbraw/zinc/22/09/90/244220990.db2.gz XVJIUOUFJMSNQV-VMPITWQZSA-N -1 3 299.301 3.386 20 0 CGADHM C[C@@H](SCc1ccccc1)C(=O)Nc1ncccc1[O-] ZINC000044948968 369271462 /nfs/dbraw/zinc/27/14/62/369271462.db2.gz ZLMKKEYZNHXMIX-LLVKDONJSA-N -1 3 288.372 3.048 20 0 CGADHM O=C(c1cccc([O-])c1)N(Cc1cccs1)C1CC1 ZINC000049024940 369382770 /nfs/dbraw/zinc/38/27/70/369382770.db2.gz DZEPBBRYPORLAZ-UHFFFAOYSA-N -1 3 273.357 3.259 20 0 CGADHM O=C(CCc1ccccn1)Nc1cc(Cl)ccc1[O-] ZINC000049475288 369403614 /nfs/dbraw/zinc/40/36/14/369403614.db2.gz RDKGSFQSDCNJKN-UHFFFAOYSA-N -1 3 276.723 3.012 20 0 CGADHM Cc1ccc([C@@H](C)NCc2nc(=O)c3sccc3[n-]2)cc1 ZINC000049556788 369409785 /nfs/dbraw/zinc/40/97/85/369409785.db2.gz VRYZZFAGBCWROR-LLVKDONJSA-N -1 3 299.399 3.144 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2ccc(F)c(C)c2)c1 ZINC000061120429 369597258 /nfs/dbraw/zinc/59/72/58/369597258.db2.gz QOOMBPJEXATZHU-UHFFFAOYSA-N -1 3 259.280 3.400 20 0 CGADHM O=C(C[C@@H]1C=CCC1)N1CCCc2cccc([O-])c21 ZINC000063063841 369638713 /nfs/dbraw/zinc/63/87/13/369638713.db2.gz CAANXSQSEXREGN-GFCCVEGCSA-N -1 3 257.333 3.028 20 0 CGADHM O=C([N-]c1cc(F)ccc1F)c1ncoc1[C@H]1CCCO1 ZINC000114998401 370516414 /nfs/dbraw/zinc/51/64/14/370516414.db2.gz GZHHUGFTZAFRLF-LLVKDONJSA-N -1 3 294.257 3.057 20 0 CGADHM O=C(Cc1cccc(Cl)c1)NCc1ccc([O-])c(F)c1 ZINC000132891805 371210098 /nfs/dbraw/zinc/21/00/98/371210098.db2.gz RECJUMSTSYXVHC-UHFFFAOYSA-N -1 3 293.725 3.044 20 0 CGADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C1CCCC1 ZINC000331808958 204188918 /nfs/dbraw/zinc/18/89/18/204188918.db2.gz XBTWSMHYOMQJGX-UHFFFAOYSA-N -1 3 297.351 3.101 20 0 CGADHM CCCCCCC(=O)NCc1ccc([O-])c(F)c1 ZINC000133131476 371228981 /nfs/dbraw/zinc/22/89/81/371228981.db2.gz MUDXNXSMVQZCFH-UHFFFAOYSA-N -1 3 253.317 3.118 20 0 CGADHM Cc1cc(C(=O)[N-]c2nnc(C(C)C)s2)oc1C ZINC000134858165 371368651 /nfs/dbraw/zinc/36/86/51/371368651.db2.gz NEFNRNVMMGJFIT-UHFFFAOYSA-N -1 3 265.338 3.124 20 0 CGADHM Cc1ccc(NC(=O)c2ccc(F)cc2C)c([O-])c1 ZINC000135350415 371418165 /nfs/dbraw/zinc/41/81/65/371418165.db2.gz DUQFYUFHOXMTBU-UHFFFAOYSA-N -1 3 259.280 3.400 20 0 CGADHM CCC[C@@H]1CCCN(C(=O)c2c[n-]c3ccccc3c2=O)C1 ZINC000137056845 371491763 /nfs/dbraw/zinc/49/17/63/371491763.db2.gz BXKGPABKUYYOEA-CYBMUJFWSA-N -1 3 298.386 3.180 20 0 CGADHM Cc1ccc(C(=O)N2C[C@@H](C)CCC[C@H]2C)c([O-])c1 ZINC000150773334 371538428 /nfs/dbraw/zinc/53/84/28/371538428.db2.gz GLYBHCRDDHUEBA-QWHCGFSZSA-N -1 3 261.365 3.351 20 0 CGADHM C[C@H](Oc1ccccc1)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000153500425 371771665 /nfs/dbraw/zinc/77/16/65/371771665.db2.gz QQYBYFKVKFTCCM-JTQLQIEISA-N -1 3 291.734 3.452 20 0 CGADHM Cc1ccccc1CN[C@@H](CC(=O)[O-])c1cccs1 ZINC000037087867 541861456 /nfs/dbraw/zinc/86/14/56/541861456.db2.gz MPSFQIYJZLOMJS-ZDUSSCGKSA-N -1 3 275.373 3.362 20 0 CGADHM O=C(N[C@@H]1CC12CCCCC2)c1cc([O-])ccc1Cl ZINC000290320064 371961856 /nfs/dbraw/zinc/96/18/56/371961856.db2.gz IGSKNTQEHZUWLE-CYBMUJFWSA-N -1 3 279.767 3.498 20 0 CGADHM CSc1cnn(-c2ccccc2)c1[N-]C(=O)c1ccco1 ZINC000157531209 372026507 /nfs/dbraw/zinc/02/65/07/372026507.db2.gz RJDKBIBQUSUMRT-UHFFFAOYSA-N -1 3 299.355 3.440 20 0 CGADHM CC[C@@H](SCCCOC([O-])=NC(N)=O)c1ccccc1 ZINC000157942856 372043601 /nfs/dbraw/zinc/04/36/01/372043601.db2.gz MFYRUXQWBAUCOT-GFCCVEGCSA-N -1 3 296.392 3.066 20 0 CGADHM CC[C@@H](SCCCOC(=O)N=C(N)[O-])c1ccccc1 ZINC000157942856 372043605 /nfs/dbraw/zinc/04/36/05/372043605.db2.gz MFYRUXQWBAUCOT-GFCCVEGCSA-N -1 3 296.392 3.066 20 0 CGADHM CC[C@@H](SCCCOC(=O)[N-]C(N)=O)c1ccccc1 ZINC000157942856 372043608 /nfs/dbraw/zinc/04/36/08/372043608.db2.gz MFYRUXQWBAUCOT-GFCCVEGCSA-N -1 3 296.392 3.066 20 0 CGADHM O=C(/C=C/c1ccc(Cl)nc1)Nc1ccccc1[O-] ZINC000157948502 372044172 /nfs/dbraw/zinc/04/41/72/372044172.db2.gz HCNRDRUPUNIQTG-SOFGYWHQSA-N -1 3 274.707 3.093 20 0 CGADHM O=C([N-]OCC1CC1)Nc1cccc(COCC2CC2)c1 ZINC000292761887 372204360 /nfs/dbraw/zinc/20/43/60/372204360.db2.gz XQXUFBLCALIPJJ-UHFFFAOYSA-N -1 3 290.363 3.076 20 0 CGADHM CC(C)C[C@H](NCc1cc(Cl)ccc1F)C(=O)[O-] ZINC000160799880 372277101 /nfs/dbraw/zinc/27/71/01/372277101.db2.gz ZCZPADREGVGCHV-LBPRGKRZSA-N -1 3 273.735 3.068 20 0 CGADHM CCC[C@@H]([N-]c1nnc(C(F)F)o1)[C@H](O)c1ccccc1 ZINC000293293588 372348894 /nfs/dbraw/zinc/34/88/94/372348894.db2.gz YMVVHBOIDHDIKT-GHMZBOCLSA-N -1 3 297.305 3.321 20 0 CGADHM CCOCC(C)(C)CNCc1cccc([O-])c1Cl ZINC000293113012 372303306 /nfs/dbraw/zinc/30/33/06/372303306.db2.gz YPPXLHIOALCYNQ-UHFFFAOYSA-N -1 3 271.788 3.198 20 0 CGADHM Cc1cc(C)cc(CCC(=O)[N-]OCCC(F)(F)F)c1 ZINC000162638925 372407615 /nfs/dbraw/zinc/40/76/15/372407615.db2.gz ZFESOYVIOOZYBV-UHFFFAOYSA-N -1 3 289.297 3.236 20 0 CGADHM Cc1ccccc1[C@H](O)CNCc1cccc([O-])c1Cl ZINC000293546104 372408342 /nfs/dbraw/zinc/40/83/42/372408342.db2.gz KRHAJJLTMZIYOO-OAHLLOKOSA-N -1 3 291.778 3.177 20 0 CGADHM Cc1cc(C)c(CC(=O)[N-]OCCC(F)(F)F)c(C)c1 ZINC000162835323 372427372 /nfs/dbraw/zinc/42/73/72/372427372.db2.gz WDAYDICQVLBFOF-UHFFFAOYSA-N -1 3 289.297 3.155 20 0 CGADHM Cc1cccc2c(=O)c(C(=O)N(C)CC(C)(C)C)c[n-]c12 ZINC000163043150 372443098 /nfs/dbraw/zinc/44/30/98/372443098.db2.gz MZTHFAOPXTWYFQ-UHFFFAOYSA-N -1 3 286.375 3.367 20 0 CGADHM COC(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2C)[n-]1 ZINC000431258130 372448656 /nfs/dbraw/zinc/44/86/56/372448656.db2.gz FZMYWGZFCTVQBG-UHFFFAOYSA-N -1 3 292.722 3.015 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CC3(CCC3)[C@@H]2C(C)C)c1 ZINC000293716608 372459429 /nfs/dbraw/zinc/45/94/29/372459429.db2.gz JPDIXOIUUMCRIY-HNNXBMFYSA-N -1 3 273.376 3.351 20 0 CGADHM CCc1cc(=O)[n-]c(CN2CCC[C@H]2c2ccc(C)cc2)n1 ZINC000344412444 217185563 /nfs/dbraw/zinc/18/55/63/217185563.db2.gz SCSKAUVKKHTWQC-INIZCTEOSA-N -1 3 297.402 3.390 20 0 CGADHM CC(C)CCN(C(=O)NCc1ccc([O-])c(F)c1)C1CC1 ZINC000163667522 372486544 /nfs/dbraw/zinc/48/65/44/372486544.db2.gz GJXQZMVXFLHMIC-UHFFFAOYSA-N -1 3 294.370 3.251 20 0 CGADHM CC(C)CN(CC(C)C)C(=O)NCc1ccc([O-])c(F)c1 ZINC000163669665 372486568 /nfs/dbraw/zinc/48/65/68/372486568.db2.gz WNAUWTQBUTWNRX-UHFFFAOYSA-N -1 3 296.386 3.355 20 0 CGADHM O=C(NCc1ccc([O-])c(F)c1)N1CCC[C@H]1C1CCC1 ZINC000163683721 372487811 /nfs/dbraw/zinc/48/78/11/372487811.db2.gz PIZQURGVCCHGOY-AWEZNQCLSA-N -1 3 292.354 3.005 20 0 CGADHM O=C(Nc1ccc(Cl)cc1[O-])C1Cc2ccccc2C1 ZINC000431923675 372517233 /nfs/dbraw/zinc/51/72/33/372517233.db2.gz DVOMWKZBYRJRNM-UHFFFAOYSA-N -1 3 287.746 3.399 20 0 CGADHM C[C@@H]1C[C@H]1c1ccc(CCC(=O)Nc2ncccc2[O-])o1 ZINC000053287337 541878772 /nfs/dbraw/zinc/87/87/72/541878772.db2.gz OZMJFPBVLPVFIB-ZYHUDNBSSA-N -1 3 286.331 3.075 20 0 CGADHM CC(C)(C)c1ccc(CN2CCC[C@H](C(=O)[O-])C2)s1 ZINC000166276204 372569389 /nfs/dbraw/zinc/56/93/89/372569389.db2.gz WBMQDVLTJVNKBO-NSHDSACASA-N -1 3 281.421 3.342 20 0 CGADHM COCc1ccccc1CNCc1c(F)ccc([O-])c1F ZINC000294116149 372586646 /nfs/dbraw/zinc/58/66/46/372586646.db2.gz GDGAZOWZHDFZSW-UHFFFAOYSA-N -1 3 293.313 3.107 20 0 CGADHM [O-]c1cccc(CN(C[C@H]2CCOC2)C2CC2)c1Cl ZINC000295241253 372713845 /nfs/dbraw/zinc/71/38/45/372713845.db2.gz DZHXHXOMPWPBKV-LLVKDONJSA-N -1 3 281.783 3.047 20 0 CGADHM CCC[C@@H](OC)C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000295360332 372749869 /nfs/dbraw/zinc/74/98/69/372749869.db2.gz WBSQMWVYEFFZRW-LLVKDONJSA-N -1 3 271.744 3.108 20 0 CGADHM C[C@@H](C(=O)N=c1cc(-c2ccccc2)[n-][nH]1)C(C)(C)C ZINC000435674263 372793527 /nfs/dbraw/zinc/79/35/27/372793527.db2.gz GBPIYOCWPDTFMN-NSHDSACASA-N -1 3 271.364 3.119 20 0 CGADHM CC[C@@H](CC(=O)[N-]OC(C)C)c1ccc(OC)cc1 ZINC000295555430 372825062 /nfs/dbraw/zinc/82/50/62/372825062.db2.gz MFTTYPSSXMWFGP-LBPRGKRZSA-N -1 3 265.353 3.035 20 0 CGADHM O=C(c1cc2c(cc1[O-])CCCC2)N1C[C@@H]2CCC[C@@H]2C1 ZINC000436585685 296190063 /nfs/dbraw/zinc/19/00/63/296190063.db2.gz TXKMOBJJIBQCOF-GASCZTMLSA-N -1 3 285.387 3.143 20 0 CGADHM O=C(N[C@@H]1CC[C@H]2CCC[C@@H]2C1)c1ccccc1[O-] ZINC000436583355 372838639 /nfs/dbraw/zinc/83/86/39/372838639.db2.gz JLLSHMTUQIIXTK-JHJVBQTASA-N -1 3 259.349 3.091 20 0 CGADHM C[C@@H]1CCN(C(=O)c2cc3c(cc2[O-])CCCC3)[C@@H]1C ZINC000436575027 372838971 /nfs/dbraw/zinc/83/89/71/372838971.db2.gz LUYNPWOONGZZRL-VXGBXAGGSA-N -1 3 273.376 3.142 20 0 CGADHM Cc1ccc(C(=O)N(C)[C@@H]2CCC(C)(C)C2)c([O-])c1 ZINC000436920638 372842662 /nfs/dbraw/zinc/84/26/62/372842662.db2.gz HUQXTMWJWVNKJY-GFCCVEGCSA-N -1 3 261.365 3.351 20 0 CGADHM CC(C)O[N-]C(=O)[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000295790622 372912070 /nfs/dbraw/zinc/91/20/70/372912070.db2.gz YZGGJQRZUMPITJ-NEPJUHHUSA-N -1 3 287.281 3.265 20 0 CGADHM CC(C)n1ccc(CO[N-]C(=O)CCC2CCCCC2)n1 ZINC000172331207 372943727 /nfs/dbraw/zinc/94/37/27/372943727.db2.gz KSNGHPZQTLBHKW-UHFFFAOYSA-N -1 3 293.411 3.372 20 0 CGADHM [O-]c1ccc(F)c(CN2CCC[C@@H](C3CC3)C2)c1F ZINC000353542394 220147091 /nfs/dbraw/zinc/14/70/91/220147091.db2.gz KVMABJSBCBKBHI-LLVKDONJSA-N -1 3 267.319 3.292 20 0 CGADHM Cc1c(Br)ccc([O-])c1NC(=O)C(C)(F)F ZINC000296176407 373045012 /nfs/dbraw/zinc/04/50/12/373045012.db2.gz UFHXARQWIHQOOO-UHFFFAOYSA-N -1 3 294.095 3.057 20 0 CGADHM CC(C)Oc1cc(F)ccc1NC([O-])=NOCC1CC1 ZINC000296714520 373226509 /nfs/dbraw/zinc/22/65/09/373226509.db2.gz FSQGAHDJQXHNHA-UHFFFAOYSA-N -1 3 282.315 3.076 20 0 CGADHM CC(C)Oc1cc(F)ccc1NC(=O)[N-]OCC1CC1 ZINC000296714520 373226514 /nfs/dbraw/zinc/22/65/14/373226514.db2.gz FSQGAHDJQXHNHA-UHFFFAOYSA-N -1 3 282.315 3.076 20 0 CGADHM CCOc1cc(-c2noc(CSC3CC3)n2)ccc1[O-] ZINC000296706287 373225005 /nfs/dbraw/zinc/22/50/05/373225005.db2.gz IADMEGNNXVSNAY-UHFFFAOYSA-N -1 3 292.360 3.237 20 0 CGADHM Cc1ccc(-c2ncco2)cc1NC([O-])=NOC(C)C ZINC000297774870 373281301 /nfs/dbraw/zinc/28/13/01/373281301.db2.gz NEVATCHKWRSSFN-UHFFFAOYSA-N -1 3 275.308 3.112 20 0 CGADHM Cc1ccc(-c2ncco2)cc1NC(=O)[N-]OC(C)C ZINC000297774870 373281320 /nfs/dbraw/zinc/28/13/20/373281320.db2.gz NEVATCHKWRSSFN-UHFFFAOYSA-N -1 3 275.308 3.112 20 0 CGADHM O=C(CCCc1ccc([O-])c(F)c1)Nc1ccc(F)cn1 ZINC000344996696 217381423 /nfs/dbraw/zinc/38/14/23/217381423.db2.gz BOTBLLIBVCVMRZ-UHFFFAOYSA-N -1 3 292.285 3.027 20 0 CGADHM Cc1ccc(C(=O)Nc2ncccc2[O-])c(F)c1Cl ZINC000447526783 373443663 /nfs/dbraw/zinc/44/36/63/373443663.db2.gz CPZCZEOGIRIGMS-UHFFFAOYSA-N -1 3 280.686 3.140 20 0 CGADHM CCCC[C@@H](CC)C(=O)Nc1nc(C)ccc1[O-] ZINC000447637995 373467862 /nfs/dbraw/zinc/46/78/62/373467862.db2.gz UVYSMHALVPUKCY-LLVKDONJSA-N -1 3 250.342 3.251 20 0 CGADHM CCC1(C)CCN([C@H](C)c2nc(C)cc(=O)[n-]2)CC1 ZINC000447854172 373509278 /nfs/dbraw/zinc/50/92/78/373509278.db2.gz KIPQRIMLVCEPOF-GFCCVEGCSA-N -1 3 263.385 3.064 20 0 CGADHM C[C@H]1CCCC[C@@H]1CNC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000299228661 373486675 /nfs/dbraw/zinc/48/66/75/373486675.db2.gz QYPHMRRCWWBROF-QWHCGFSZSA-N -1 3 298.386 3.497 20 0 CGADHM Cc1cc(C(=O)N[C@H]2C[C@H](C)C[C@H](C)C2)ccc1[O-] ZINC000300416309 373631951 /nfs/dbraw/zinc/63/19/51/373631951.db2.gz PZQMNIMAZCFXRL-YABSGUDNSA-N -1 3 261.365 3.255 20 0 CGADHM Clc1ccc(-c2nc(Sc3ncccn3)n[n-]2)cc1 ZINC000301095471 373659251 /nfs/dbraw/zinc/65/92/51/373659251.db2.gz VCKYBKQMQGINGS-UHFFFAOYSA-N -1 3 289.751 3.066 20 0 CGADHM CCc1cc(=O)[n-]c(-c2ccc(NCCC(C)C)nc2)n1 ZINC000301174988 373683756 /nfs/dbraw/zinc/68/37/56/373683756.db2.gz LMMFMZFLDUILKJ-UHFFFAOYSA-N -1 3 286.379 3.265 20 0 CGADHM COc1cccc(-c2noc([N-]Cc3cccc(C)n3)n2)c1 ZINC000301385336 373768486 /nfs/dbraw/zinc/76/84/86/373768486.db2.gz WSJGLBDZGDAGKK-UHFFFAOYSA-N -1 3 296.330 3.061 20 0 CGADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H]3CC[C@@H](C)C3)nc2)n1 ZINC000302518561 373885395 /nfs/dbraw/zinc/88/53/95/373885395.db2.gz HXALOJCUWGYTLY-BXUZGUMPSA-N -1 3 298.390 3.407 20 0 CGADHM Cc1ncc(C(=O)Nc2ccc(Cl)cc2[O-])s1 ZINC000179197474 373844783 /nfs/dbraw/zinc/84/47/83/373844783.db2.gz BFBWJIFYRUBBSW-UHFFFAOYSA-N -1 3 268.725 3.063 20 0 CGADHM CC[C@@H]1C[C@H]1C(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000449828166 373938115 /nfs/dbraw/zinc/93/81/15/373938115.db2.gz WNRJADCYFNBPJT-VXNVDRBHSA-N -1 3 273.254 3.396 20 0 CGADHM CCOCc1ccc(CNC(=O)c2cccc(C)c2[O-])cc1 ZINC000302944583 374007767 /nfs/dbraw/zinc/00/77/67/374007767.db2.gz KUHDNGCVHVMHRS-UHFFFAOYSA-N -1 3 299.370 3.167 20 0 CGADHM COc1cccc2[nH]cc(CC(=O)Nc3ccccc3[O-])c21 ZINC000180841844 374050683 /nfs/dbraw/zinc/05/06/83/374050683.db2.gz JZGGBSINHFVEGW-UHFFFAOYSA-N -1 3 296.326 3.063 20 0 CGADHM CS[C@H]1CCC[C@H](N=c2[n-]c(C(C)=O)c(C)s2)C1 ZINC000450342727 374070429 /nfs/dbraw/zinc/07/04/29/374070429.db2.gz UBPMUKUXSYVGSO-QWRGUYRKSA-N -1 3 284.450 3.162 20 0 CGADHM CC(C)(CCNc1ccnc2ccccc21)C(=O)[O-] ZINC000306115299 374126487 /nfs/dbraw/zinc/12/64/87/374126487.db2.gz YLKJPCRFUVMNEH-UHFFFAOYSA-N -1 3 258.321 3.148 20 0 CGADHM C[C@@H]1CCC[C@]1(C)C(=O)Nc1cc(F)ccc1[O-] ZINC000450402944 374106389 /nfs/dbraw/zinc/10/63/89/374106389.db2.gz LLQMFAGQTHLDOG-OTYXRUKQSA-N -1 3 251.301 3.296 20 0 CGADHM CN(C(=O)Cc1ccc([O-])cc1Cl)c1ccccc1 ZINC000181763150 374167225 /nfs/dbraw/zinc/16/72/25/374167225.db2.gz FDGPKRYKWPROPS-UHFFFAOYSA-N -1 3 275.735 3.251 20 0 CGADHM CC1(C(=O)Nc2nnc(C(F)(F)F)[n-]2)CCCCCC1 ZINC000181832907 374178072 /nfs/dbraw/zinc/17/80/72/374178072.db2.gz GKPUNXGKGNAAFW-UHFFFAOYSA-N -1 3 290.289 3.123 20 0 CGADHM CC1(C(=O)Nc2nc(C(F)(F)F)n[n-]2)CCCCCC1 ZINC000181832907 374178082 /nfs/dbraw/zinc/17/80/82/374178082.db2.gz GKPUNXGKGNAAFW-UHFFFAOYSA-N -1 3 290.289 3.123 20 0 CGADHM CCOc1ccc(NC(=O)c2cccc([O-])c2)c(C)c1 ZINC000182148405 374225346 /nfs/dbraw/zinc/22/53/46/374225346.db2.gz KAJJGBHNBPTOJD-UHFFFAOYSA-N -1 3 271.316 3.352 20 0 CGADHM Cc1cccc(C(=O)Nc2cccc(C)c2F)c1[O-] ZINC000311647901 374251690 /nfs/dbraw/zinc/25/16/90/374251690.db2.gz SBEHRQCPYKCDFJ-UHFFFAOYSA-N -1 3 259.280 3.400 20 0 CGADHM CCC1(NC(=O)Cc2ccc([O-])cc2Cl)CCC1 ZINC000182553473 374289240 /nfs/dbraw/zinc/28/92/40/374289240.db2.gz PPPYIIGMYGUGRY-UHFFFAOYSA-N -1 3 267.756 3.037 20 0 CGADHM O=C(Nc1c[nH]nc1-c1ccccc1)c1cccc([O-])c1 ZINC000182848378 374334416 /nfs/dbraw/zinc/33/44/16/374334416.db2.gz FMJUNGBZMKKNFM-UHFFFAOYSA-N -1 3 279.299 3.035 20 0 CGADHM C[C@@H]1CCc2ccccc2[C@H]1NC(=O)c1cccc([O-])c1 ZINC000182952954 374349712 /nfs/dbraw/zinc/34/97/12/374349712.db2.gz UUXBFNZXKPHGJG-PXAZEXFGSA-N -1 3 281.355 3.446 20 0 CGADHM O=c1[n-]c([C@@H]2CCCCN2CC2CCCCCC2)n[nH]1 ZINC000329641346 374417262 /nfs/dbraw/zinc/41/72/62/374417262.db2.gz ZSCDGSCERJORGG-ZDUSSCGKSA-N -1 3 278.400 3.008 20 0 CGADHM CC(C)[C@H](CNc1ccnc2ccccc21)C(=O)[O-] ZINC000087505554 541943518 /nfs/dbraw/zinc/94/35/18/541943518.db2.gz SFRXHUBQVYROAC-LBPRGKRZSA-N -1 3 258.321 3.004 20 0 CGADHM CC(C)(C)c1ccc(NC(=O)[C@@]2(C)CCCOC2)c([O-])c1 ZINC000330387261 374456877 /nfs/dbraw/zinc/45/68/77/374456877.db2.gz BRPSPABFMYGBDR-KRWDZBQOSA-N -1 3 291.391 3.445 20 0 CGADHM C[C@@H]1CC[C@H](C(=O)Nc2ccc(C(C)(C)C)cc2[O-])O1 ZINC000330404386 374458349 /nfs/dbraw/zinc/45/83/49/374458349.db2.gz MNYGZRJCDQHXBH-QMTHXVAHSA-N -1 3 277.364 3.196 20 0 CGADHM C[C@@H]1C[C@H](C(=O)Nc2ccc(C(C)(C)C)cc2[O-])CO1 ZINC000330416287 374460717 /nfs/dbraw/zinc/46/07/17/374460717.db2.gz VDMXXQHGOKFMPI-MNOVXSKESA-N -1 3 277.364 3.053 20 0 CGADHM CC[C@H](c1ccccc1)S(=O)(=O)c1cccc([O-])c1 ZINC000183984055 374479574 /nfs/dbraw/zinc/47/95/74/374479574.db2.gz SCFPCPSCDLHTAZ-OAHLLOKOSA-N -1 3 276.357 3.317 20 0 CGADHM O=[S@](CCCC1CCCC1)c1cccc([O-])c1 ZINC000184069477 374489547 /nfs/dbraw/zinc/48/95/47/374489547.db2.gz BWHFPGNAXAZGBD-QGZVFWFLSA-N -1 3 252.379 3.470 20 0 CGADHM CC[C@H](NCc1cc([O-])cc(F)c1)c1nccs1 ZINC000184142982 374496159 /nfs/dbraw/zinc/49/61/59/374496159.db2.gz GENOQPFWCIECEK-LBPRGKRZSA-N -1 3 266.341 3.229 20 0 CGADHM Cc1cccc(C(=O)N2CCCc3ccccc3CC2)c1[O-] ZINC000456313388 374508107 /nfs/dbraw/zinc/50/81/07/374508107.db2.gz NSBBOKPUOLPVIK-UHFFFAOYSA-N -1 3 295.382 3.332 20 0 CGADHM COc1cc(C)ccc1CNCc1cc([O-])cc(F)c1 ZINC000185573598 374689527 /nfs/dbraw/zinc/68/95/27/374689527.db2.gz IMBXDVFDDGLFJI-UHFFFAOYSA-N -1 3 275.323 3.138 20 0 CGADHM Cc1ncsc1C(=O)[N-]c1cc(F)cc(F)c1F ZINC000334408487 374725848 /nfs/dbraw/zinc/72/58/48/374725848.db2.gz LNJYKYLPTIWPKZ-UHFFFAOYSA-N -1 3 272.251 3.121 20 0 CGADHM CSc1ccc(CN2CCC(CC(=O)[O-])CC2)cc1 ZINC000093680882 541983680 /nfs/dbraw/zinc/98/36/80/541983680.db2.gz PIHYCXOSSUALBF-UHFFFAOYSA-N -1 3 279.405 3.095 20 0 CGADHM CN(Cc1cc([O-])cc(F)c1)Cc1ccccc1F ZINC000186159357 374805994 /nfs/dbraw/zinc/80/59/94/374805994.db2.gz OBPCRWVQYZXLGO-UHFFFAOYSA-N -1 3 263.287 3.302 20 0 CGADHM [O-]c1cc(F)cc(CN2CCS[C@H]3CCCC[C@@H]32)c1 ZINC000186245597 374820503 /nfs/dbraw/zinc/82/05/03/374820503.db2.gz GYAMDSHIRZKABB-GJZGRUSLSA-N -1 3 281.396 3.391 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)[C@@H]2CC=CCC2)c1-c1ccccc1 ZINC000334463262 374771885 /nfs/dbraw/zinc/77/18/85/374771885.db2.gz YWHASUQZTMSOCI-CQSZACIVSA-N -1 3 281.359 3.102 20 0 CGADHM CC[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000465498923 374954588 /nfs/dbraw/zinc/95/45/88/374954588.db2.gz DAENMSOUIVXGCX-BDAKNGLRSA-N -1 3 293.841 3.259 20 0 CGADHM CC(C)c1ccc(C(=O)N2CC[C@H]2C2CC2)c([O-])c1 ZINC000334671555 374960568 /nfs/dbraw/zinc/96/05/68/374960568.db2.gz QUFUJLXTPLFPSR-AWEZNQCLSA-N -1 3 259.349 3.140 20 0 CGADHM CC(C)[C@@H]1N(C(=O)c2csc(=O)[n-]2)CC12CCCCC2 ZINC000334616026 374907729 /nfs/dbraw/zinc/90/77/29/374907729.db2.gz XBESWJMFJRWZBO-LBPRGKRZSA-N -1 3 294.420 3.280 20 0 CGADHM C[C@H](OCc1ccccc1)C(=O)Nc1cc(F)ccc1[O-] ZINC000187718473 375079795 /nfs/dbraw/zinc/07/97/95/375079795.db2.gz DUMYEKUWRKURJI-NSHDSACASA-N -1 3 289.306 3.075 20 0 CGADHM Cc1cc(C(=O)N(C)c2ccc3cc[nH]c3c2)ccc1[O-] ZINC000473543613 375053234 /nfs/dbraw/zinc/05/32/34/375053234.db2.gz AWIWCNLPUVOAGD-UHFFFAOYSA-N -1 3 280.327 3.459 20 0 CGADHM Cc1cc(S(=O)(=O)[N-]C2(C)CCCC2)sc1Cl ZINC000473904919 375067130 /nfs/dbraw/zinc/06/71/30/375067130.db2.gz KYCLKCKFHNDADO-UHFFFAOYSA-N -1 3 293.841 3.321 20 0 CGADHM COc1ccc(C(=O)N(C)C2CCC(F)(F)CC2)c([O-])c1 ZINC000335132837 375161035 /nfs/dbraw/zinc/16/10/35/375161035.db2.gz BIIBZPOFULTABT-UHFFFAOYSA-N -1 3 299.317 3.051 20 0 CGADHM Cn1ccc2cccc(NC(=O)c3cccc([O-])c3)c21 ZINC000188136533 375164663 /nfs/dbraw/zinc/16/46/63/375164663.db2.gz VSMWTRFLUZJLCO-UHFFFAOYSA-N -1 3 266.300 3.136 20 0 CGADHM CCc1ccc(C(=O)N(C)[C@H](C)c2cccc(O)c2)c([O-])c1 ZINC000188359429 375203502 /nfs/dbraw/zinc/20/35/02/375203502.db2.gz PHFPPTREBPJGTJ-GFCCVEGCSA-N -1 3 299.370 3.493 20 0 CGADHM CCc1ccc(C(=O)N2CCCC[C@H](SC)C2)c([O-])c1 ZINC000188477189 375221396 /nfs/dbraw/zinc/22/13/96/375221396.db2.gz SNVBGTHJLWRZIS-ZDUSSCGKSA-N -1 3 293.432 3.312 20 0 CGADHM CCc1cc(C(=O)N2CC[C@H](C)C(F)(F)C2)ccc1[O-] ZINC000487603159 375262354 /nfs/dbraw/zinc/26/23/54/375262354.db2.gz HAZVDRBORQDGRP-JTQLQIEISA-N -1 3 283.318 3.072 20 0 CGADHM CCc1ccc(C(=O)N2CCC[C@H]2c2cccn2C)c([O-])c1 ZINC000188780306 375268796 /nfs/dbraw/zinc/26/87/96/375268796.db2.gz OPRPMUCRKDXHAU-INIZCTEOSA-N -1 3 298.386 3.270 20 0 CGADHM COc1cc(NC(=O)/C=C\c2cncc([O-])c2)c(C)cc1C ZINC000492031103 375398445 /nfs/dbraw/zinc/39/84/45/375398445.db2.gz LORRRXZCFRPRON-PLNGDYQASA-N -1 3 298.342 3.065 20 0 CGADHM C[C@H]1CCC[C@@H](NC(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC000190582354 375521565 /nfs/dbraw/zinc/52/15/65/375521565.db2.gz GLJIQEQMPZHQJO-WCQYABFASA-N -1 3 294.370 3.299 20 0 CGADHM CSC1(C(=O)Nc2cc(Cl)cc(C)c2[O-])CC1 ZINC000190899586 375547743 /nfs/dbraw/zinc/54/77/43/375547743.db2.gz NBBBZQDGOIEMPH-UHFFFAOYSA-N -1 3 271.769 3.188 20 0 CGADHM Cc1ccc(NC(=O)c2ccnc(C3CC3)c2)c([O-])c1 ZINC000335988930 375597406 /nfs/dbraw/zinc/59/74/06/375597406.db2.gz UTEBDIYFTFYIHG-UHFFFAOYSA-N -1 3 268.316 3.225 20 0 CGADHM Cc1cccc([O-])c1NC(=O)c1cnc(C2CC2)s1 ZINC000335967872 375580007 /nfs/dbraw/zinc/58/00/07/375580007.db2.gz VZSZHBSJMGOBIB-UHFFFAOYSA-N -1 3 274.345 3.287 20 0 CGADHM CC(C)(C)c1nnsc1C(=O)[N-]c1cc(F)ccc1F ZINC000191350378 375615348 /nfs/dbraw/zinc/61/53/48/375615348.db2.gz ROTKQXVTTLCZTQ-UHFFFAOYSA-N -1 3 297.330 3.366 20 0 CGADHM CC(C)(C)n1cnc([N-]C(=O)c2c(F)cccc2Cl)n1 ZINC000335993352 375599752 /nfs/dbraw/zinc/59/97/52/375599752.db2.gz FXLXBHLFSPRFPK-UHFFFAOYSA-N -1 3 296.733 3.078 20 0 CGADHM O=C(c1csc(=O)[n-]1)N1CC[C@@H]1c1ccc(Cl)cc1 ZINC000336140543 375719895 /nfs/dbraw/zinc/71/98/95/375719895.db2.gz KCJLHHSELCHHEH-LLVKDONJSA-N -1 3 294.763 3.089 20 0 CGADHM CCN(Cc1cccs1)[C@H](C)c1nc(C)cc(=O)[n-]1 ZINC000192525654 375761245 /nfs/dbraw/zinc/76/12/45/375761245.db2.gz DGECCZJZCJTIBY-LLVKDONJSA-N -1 3 277.393 3.135 20 0 CGADHM Cc1cccc([O-])c1NC(=O)c1cc(C(C)(C)C)on1 ZINC000336443121 375794345 /nfs/dbraw/zinc/79/43/45/375794345.db2.gz KARRPFLTKAIOGG-UHFFFAOYSA-N -1 3 274.320 3.238 20 0 CGADHM CC(C)C[C@H]1CCCN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000336575263 375844742 /nfs/dbraw/zinc/84/47/42/375844742.db2.gz DVAQCWITMHNJRR-CYBMUJFWSA-N -1 3 298.386 3.179 20 0 CGADHM Cc1cccc2c1CC[C@H]2NC(=O)c1ccccc1[O-] ZINC000520566119 375864430 /nfs/dbraw/zinc/86/44/30/375864430.db2.gz JLJGIOZFPUULFX-OAHLLOKOSA-N -1 3 267.328 3.118 20 0 CGADHM CCc1oc(C(=O)[O-])cc1CN(CC(C)C)C1CC1 ZINC000519603306 375850284 /nfs/dbraw/zinc/85/02/84/375850284.db2.gz JSECEGVOJSOVNZ-UHFFFAOYSA-N -1 3 265.353 3.161 20 0 CGADHM COCc1ccc([C@@H]2CCCN2[C@H](CC(C)C)C(=O)[O-])o1 ZINC000520416641 375855495 /nfs/dbraw/zinc/85/54/95/375855495.db2.gz NMNVIPPCJBENFA-UONOGXRCSA-N -1 3 295.379 3.062 20 0 CGADHM Cc1ccc(C(=O)N2CCC=C(c3ccco3)C2)c([O-])c1 ZINC000336593537 375860026 /nfs/dbraw/zinc/86/00/26/375860026.db2.gz RJKQYAUYHGUSGL-UHFFFAOYSA-N -1 3 283.327 3.223 20 0 CGADHM C[C@H]1CC[C@@H](C(=O)[O-])CN1CCc1c(F)cccc1Cl ZINC000520581853 375865800 /nfs/dbraw/zinc/86/58/00/375865800.db2.gz GNHYIVWSTDKHDL-WDEREUQCSA-N -1 3 299.773 3.207 20 0 CGADHM C[C@H]1CCCCN1C(=O)c1cc([O-])ccc1C(F)(F)F ZINC000194987055 376067805 /nfs/dbraw/zinc/06/78/05/376067805.db2.gz VLOCDBVNQCIHFM-VIFPVBQESA-N -1 3 287.281 3.426 20 0 CGADHM CCc1ccc([O-])c(C(=O)N[C@H](COC)c2ccccc2)c1 ZINC000535831253 376068702 /nfs/dbraw/zinc/06/87/02/376068702.db2.gz HQBJOYKPAJZFDZ-MRXNPFEDSA-N -1 3 299.370 3.072 20 0 CGADHM CCc1cccc(C(=O)N(C)[C@@H](CC)CSC)c1[O-] ZINC000536923906 376143991 /nfs/dbraw/zinc/14/39/91/376143991.db2.gz DWKROFLHENQLAE-LBPRGKRZSA-N -1 3 281.421 3.168 20 0 CGADHM COc1ccc([C@H](C)NCc2cc([O-])cc(F)c2)cc1 ZINC000223138671 376246238 /nfs/dbraw/zinc/24/62/38/376246238.db2.gz BXPQDRCGSKPVST-NSHDSACASA-N -1 3 275.323 3.391 20 0 CGADHM [O-]c1cc(F)cc(CNc2cccc(-n3cccn3)c2)c1 ZINC000223107544 376246372 /nfs/dbraw/zinc/24/63/72/376246372.db2.gz GNLPEXOUXFJJCI-UHFFFAOYSA-N -1 3 283.306 3.329 20 0 CGADHM [O-]c1cc(F)cc(CNc2cccc(CCCO)c2)c1 ZINC000223147855 376248062 /nfs/dbraw/zinc/24/80/62/376248062.db2.gz ZXJNDWOEKVVJFI-UHFFFAOYSA-N -1 3 275.323 3.068 20 0 CGADHM Cc1cc(C)cc(-c2cc(=NC(=O)c3ccsc3)[nH][n-]2)c1 ZINC000338107557 376257434 /nfs/dbraw/zinc/25/74/34/376257434.db2.gz QEERYIFDRFUFFV-UHFFFAOYSA-N -1 3 297.383 3.429 20 0 CGADHM CCc1cccc(C(=O)N(C)[C@@H](C)C(C)(C)C)c1[O-] ZINC000538744925 376267514 /nfs/dbraw/zinc/26/75/14/376267514.db2.gz BZRBZSCRWRPITH-NSHDSACASA-N -1 3 263.381 3.461 20 0 CGADHM CCS[C@H]1CCC[C@H]1NC(=O)c1cc(C)ccc1[O-] ZINC000225706330 376322271 /nfs/dbraw/zinc/32/22/71/376322271.db2.gz ILYYZTLNGFSBDE-OCCSQVGLSA-N -1 3 279.405 3.105 20 0 CGADHM O=C([N-]c1cc(F)cc(F)c1F)c1ncccc1Cl ZINC000334275514 206296829 /nfs/dbraw/zinc/29/68/29/206296829.db2.gz CCCDEFCDADVHPD-UHFFFAOYSA-N -1 3 286.640 3.405 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-]C(CC(C)C)CC(C)C)o1 ZINC000539109488 376295451 /nfs/dbraw/zinc/29/54/51/376295451.db2.gz SRFLDKPKPWZMCK-UHFFFAOYSA-N -1 3 287.425 3.327 20 0 CGADHM Cc1ccc2c(CC(=O)Nc3ncccc3[O-])coc2c1 ZINC000541238143 376428172 /nfs/dbraw/zinc/42/81/72/376428172.db2.gz QAQBPTOARODCDT-UHFFFAOYSA-N -1 3 282.299 3.023 20 0 CGADHM C[C@@H](c1cc(F)ccc1F)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000226419276 376357969 /nfs/dbraw/zinc/35/79/69/376357969.db2.gz OCLZGQGXHXOSAU-QWRGUYRKSA-N -1 3 283.318 3.213 20 0 CGADHM Cc1cc(C(=O)N(C)c2ccc(F)cc2)ccc1[O-] ZINC000227019694 376378695 /nfs/dbraw/zinc/37/86/95/376378695.db2.gz XMECYAKIHCFVHG-UHFFFAOYSA-N -1 3 259.280 3.116 20 0 CGADHM Cc1ccc(C(=O)N2CCSC(C)(C)CC2)c([O-])c1 ZINC000228670075 376445841 /nfs/dbraw/zinc/44/58/41/376445841.db2.gz MFGBXHJIJUMFER-UHFFFAOYSA-N -1 3 279.405 3.058 20 0 CGADHM Cc1cccc(C(=O)N2CCSC(C)(C)CC2)c1[O-] ZINC000228669123 376445876 /nfs/dbraw/zinc/44/58/76/376445876.db2.gz CRSWKKANSKGWRS-UHFFFAOYSA-N -1 3 279.405 3.058 20 0 CGADHM CC(C)(C)[C@H](NC(=O)c1cccc([O-])c1)C(F)(F)F ZINC000541887022 376491384 /nfs/dbraw/zinc/49/13/84/376491384.db2.gz LBJXXAPCJDCQDK-NSHDSACASA-N -1 3 275.270 3.099 20 0 CGADHM CC(C)(C)c1ccc(NC(=O)c2cc[nH]c2)c([O-])c1 ZINC000334302543 206335176 /nfs/dbraw/zinc/33/51/76/206335176.db2.gz FGAOKSPHOBIOLT-UHFFFAOYSA-N -1 3 258.321 3.270 20 0 CGADHM Cc1cc(C(=O)N[C@@H]2CC[C@@H](C)[C@@H](C)C2)ccc1[O-] ZINC000230665260 376528016 /nfs/dbraw/zinc/52/80/16/376528016.db2.gz KGWOASUTKVGUSN-UHIISALHSA-N -1 3 261.365 3.255 20 0 CGADHM CCCCN(CC)C(=O)c1cc([O-])ccc1Cl ZINC000233009048 376595306 /nfs/dbraw/zinc/59/53/06/376595306.db2.gz ZMARAWJNAWTLQT-UHFFFAOYSA-N -1 3 255.745 3.308 20 0 CGADHM CC[C@@H]1CN(C(=O)c2cc([O-])ccc2Cl)CCS1 ZINC000233954232 376607174 /nfs/dbraw/zinc/60/71/74/376607174.db2.gz FJPQXNUDZBCGQT-SNVBAGLBSA-N -1 3 285.796 3.013 20 0 CGADHM CC1(C)C(NC(=O)c2cc([O-])ccc2Cl)C1(C)C ZINC000232789744 376589112 /nfs/dbraw/zinc/58/91/12/376589112.db2.gz JEAOASWJMLGTTR-UHFFFAOYSA-N -1 3 267.756 3.210 20 0 CGADHM CC[C@H]1CCCN(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000234105202 376609329 /nfs/dbraw/zinc/60/93/29/376609329.db2.gz INWDTTWAZCGSME-JTQLQIEISA-N -1 3 267.756 3.308 20 0 CGADHM CN(CC(C)(C)C)C(=O)c1cc([O-])ccc1Cl ZINC000234282551 376615200 /nfs/dbraw/zinc/61/52/00/376615200.db2.gz MSZYEUBWPSKYNE-UHFFFAOYSA-N -1 3 255.745 3.164 20 0 CGADHM COc1cc(NC(=O)c2ccc([O-])c(C)c2)ccc1F ZINC000234949432 376627719 /nfs/dbraw/zinc/62/77/19/376627719.db2.gz DKFJPWCUNLRZFI-UHFFFAOYSA-N -1 3 275.279 3.101 20 0 CGADHM C[C@H]1CCCN(Cc2ccc(Cl)c(F)c2)[C@@H]1C(=O)[O-] ZINC000235666306 376647018 /nfs/dbraw/zinc/64/70/18/376647018.db2.gz HEVZMSPIIYUIIR-ZANVPECISA-N -1 3 285.746 3.164 20 0 CGADHM COc1ccc(CNCc2cccc([O-])c2Cl)cc1F ZINC000339178472 376727995 /nfs/dbraw/zinc/72/79/95/376727995.db2.gz RYVJJFBKBSUFMX-UHFFFAOYSA-N -1 3 295.741 3.483 20 0 CGADHM O=C(N[C@H]1C[C@@H]1c1ccccc1)c1cc([O-])ccc1Cl ZINC000236608886 376671604 /nfs/dbraw/zinc/67/16/04/376671604.db2.gz DNLDXVNWGJENNV-DOMZBBRYSA-N -1 3 287.746 3.332 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2c[nH]c(-c3ccccc3)n2)n1 ZINC000339115662 376690552 /nfs/dbraw/zinc/69/05/52/376690552.db2.gz GJKXYAKUBQXDPA-BQYQJAHWSA-N -1 3 278.315 3.051 20 0 CGADHM COc1ccc(NC(=O)c2ccc(F)cc2C)c([O-])c1 ZINC000135409145 542088139 /nfs/dbraw/zinc/08/81/39/542088139.db2.gz WAEFNAKNWWAVJM-UHFFFAOYSA-N -1 3 275.279 3.101 20 0 CGADHM CC[C@H](C(=O)Nc1ccccc1[O-])c1c(C)noc1C ZINC000340101417 376915867 /nfs/dbraw/zinc/91/58/67/376915867.db2.gz HRFMWGMJKCVEBZ-NSHDSACASA-N -1 3 274.320 3.129 20 0 CGADHM C[C@H](COc1ccccc1)C(=O)Nc1cc(F)ccc1[O-] ZINC000340329213 377004339 /nfs/dbraw/zinc/00/43/39/377004339.db2.gz LQEDOMPVNMJAOP-LLVKDONJSA-N -1 3 289.306 3.185 20 0 CGADHM CN(Cc1ccc(F)c(Cl)c1)Cc1ncccc1[O-] ZINC000558409919 377004483 /nfs/dbraw/zinc/00/44/83/377004483.db2.gz WBAGWHDFTDOQDF-UHFFFAOYSA-N -1 3 280.730 3.212 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)CCOCC2CC2)c1[O-] ZINC000340332653 377009409 /nfs/dbraw/zinc/00/94/09/377009409.db2.gz XGMAOFNAKIHOGO-UHFFFAOYSA-N -1 3 283.755 3.109 20 0 CGADHM Cc1ccccc1CN[C@]1(C(=O)[O-])CCc2c1cccc2F ZINC000340681379 377213953 /nfs/dbraw/zinc/21/39/53/377213953.db2.gz OJMSCBOHQJBYLV-GOSISDBHSA-N -1 3 299.345 3.150 20 0 CGADHM COCC(C)(C)CCCN=c1[n-]c(C(F)(F)F)cs1 ZINC000561688962 377238543 /nfs/dbraw/zinc/23/85/43/377238543.db2.gz GKXPBTYUJXIJDY-UHFFFAOYSA-N -1 3 296.358 3.449 20 0 CGADHM O=C([O-])[C@H]1C[C@@H](NCc2cccs2)c2ccccc21 ZINC000417611082 304202579 /nfs/dbraw/zinc/20/25/79/304202579.db2.gz AIAWYASDFCWIOA-UONOGXRCSA-N -1 3 273.357 3.151 20 0 CGADHM COc1cccc(-c2nc([C@H]3CCCS3)no2)c1[O-] ZINC000161648773 542159275 /nfs/dbraw/zinc/15/92/75/542159275.db2.gz DGTXYQBCTGVHRD-SNVBAGLBSA-N -1 3 278.333 3.019 20 0 CGADHM O=C(NCc1ccc(Cl)cc1F)c1cccc([O-])c1 ZINC000188662525 249058649 /nfs/dbraw/zinc/05/86/49/249058649.db2.gz FZLWILKMTYJNTB-UHFFFAOYSA-N -1 3 279.698 3.115 20 0 CGADHM CC[C@@H]1CC[C@H](C)N(C(=O)c2cccc(OC)c2[O-])C1 ZINC000312958572 249082769 /nfs/dbraw/zinc/08/27/69/249082769.db2.gz XWCLICOLLFKIIB-NWDGAFQWSA-N -1 3 277.364 3.052 20 0 CGADHM Cc1cc(NCc2cc(=O)[n-]c(C3CC3)n2)ccc1F ZINC000417042071 249124779 /nfs/dbraw/zinc/12/47/79/249124779.db2.gz WKCCGJCKLYRVTK-UHFFFAOYSA-N -1 3 273.311 3.119 20 0 CGADHM CC[C@H]1CCN(Cc2cccc([O-])c2Br)C1 ZINC000315237428 249098416 /nfs/dbraw/zinc/09/84/16/249098416.db2.gz IBJVXDYUGFPLLG-JTQLQIEISA-N -1 3 284.197 3.387 20 0 CGADHM CC(C)(C)c1nsc([N-]C(=O)c2ccc(Cl)cn2)n1 ZINC000265426311 190181029 /nfs/dbraw/zinc/18/10/29/190181029.db2.gz AGTLYQAQRAKZPV-UHFFFAOYSA-N -1 3 296.783 3.136 20 0 CGADHM Cc1o[n-]c(=NC(=O)c2ccc(C3CCC3)cc2)c1C ZINC000515988486 249223214 /nfs/dbraw/zinc/22/32/14/249223214.db2.gz IANNMASWMGDRJA-UHFFFAOYSA-N -1 3 270.332 3.233 20 0 CGADHM CCO[C@H]1C[C@@H]([N@H+](C)Cc2ncccc2[O-])C1(CC)CC ZINC000516962758 249251376 /nfs/dbraw/zinc/25/13/76/249251376.db2.gz GRSJENVPXJAVMW-CVEARBPZSA-N -1 3 292.423 3.203 20 0 CGADHM CCO[C@H]1C[C@@H](N(C)Cc2ncccc2[O-])C1(CC)CC ZINC000516962758 249251380 /nfs/dbraw/zinc/25/13/80/249251380.db2.gz GRSJENVPXJAVMW-CVEARBPZSA-N -1 3 292.423 3.203 20 0 CGADHM CC[C@H]1CC[C@H](C(=O)Nc2nnc(-c3ccco3)[n-]2)CC1 ZINC000251794264 377598163 /nfs/dbraw/zinc/59/81/63/377598163.db2.gz LZYPSFHSBCTTPV-XYPYZODXSA-N -1 3 288.351 3.220 20 0 CGADHM CC[C@H]1CC[C@H](C(=O)Nc2nc(-c3ccco3)n[n-]2)CC1 ZINC000251794264 377598171 /nfs/dbraw/zinc/59/81/71/377598171.db2.gz LZYPSFHSBCTTPV-XYPYZODXSA-N -1 3 288.351 3.220 20 0 CGADHM CC[C@H]1CC[C@H](C(=O)Nc2n[n-]c(-c3ccco3)n2)CC1 ZINC000251794264 377598181 /nfs/dbraw/zinc/59/81/81/377598181.db2.gz LZYPSFHSBCTTPV-XYPYZODXSA-N -1 3 288.351 3.220 20 0 CGADHM C[C@H](c1ncc(-c2ccccc2)o1)N(C)C[C@H](C)C(=O)[O-] ZINC000574921545 377725212 /nfs/dbraw/zinc/72/52/12/377725212.db2.gz DTYCZAFUKLYQBF-NWDGAFQWSA-N -1 3 288.347 3.055 20 0 CGADHM C[C@@H]1C[C@H](C(=O)[O-])CN(C/C=C/c2ccc(F)cc2F)C1 ZINC000263105063 377919627 /nfs/dbraw/zinc/91/96/27/377919627.db2.gz XPMOTTVCWFXRTC-KTTDLOKESA-N -1 3 295.329 3.021 20 0 CGADHM C[C@H](c1cccc(Cl)c1)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000263140426 377920676 /nfs/dbraw/zinc/92/06/76/377920676.db2.gz DONOXJADPDGSFU-NQBHXWOUSA-N -1 3 281.783 3.444 20 0 CGADHM COc1ccc(CNC[C@H](CC(C)C)C(=O)[O-])c(Cl)c1 ZINC000263465436 377939468 /nfs/dbraw/zinc/93/94/68/377939468.db2.gz GCYNBOWAACHHTK-LBPRGKRZSA-N -1 3 299.798 3.185 20 0 CGADHM CC(C)[C@H](NCc1csc(-c2cccs2)n1)C(=O)[O-] ZINC000262723620 377908633 /nfs/dbraw/zinc/90/86/33/377908633.db2.gz XFXFDIKTJGLPOT-NSHDSACASA-N -1 3 296.417 3.070 20 0 CGADHM CO[C@@H]1CCC[C@@H](C(=O)Nc2c([O-])cccc2Cl)C1 ZINC000575760731 377988906 /nfs/dbraw/zinc/98/89/06/377988906.db2.gz WVGMNDPKESGXQQ-NXEZZACHSA-N -1 3 283.755 3.189 20 0 CGADHM CS[C@H]1CCCCN([C@H](C)c2ccc(C(=O)[O-])o2)C1 ZINC000578076704 378036310 /nfs/dbraw/zinc/03/63/10/378036310.db2.gz VQCNBJBAHPUAEC-MNOVXSKESA-N -1 3 283.393 3.256 20 0 CGADHM CC(=O)c1cccc(NC(=O)C2(CC(C)C)CC2)c1[O-] ZINC000578363363 378062055 /nfs/dbraw/zinc/06/20/55/378062055.db2.gz KVZNXSLXKDNHFF-UHFFFAOYSA-N -1 3 275.348 3.360 20 0 CGADHM CC(C)[C@H]1CN([C@@H](C)c2ccc(C(=O)[O-])o2)CCS1 ZINC000578369671 378062888 /nfs/dbraw/zinc/06/28/88/378062888.db2.gz VGGCFWRKSXSYTE-GXFFZTMASA-N -1 3 283.393 3.112 20 0 CGADHM CCC[C@@H](CC)S(=O)(=O)[N-]c1cccc(F)c1F ZINC000578481729 378073434 /nfs/dbraw/zinc/07/34/34/378073434.db2.gz UKCDOSKRIQAMFQ-SECBINFHSA-N -1 3 277.336 3.285 20 0 CGADHM O=[S@](Cc1ccn(C2CCCC2)n1)c1ccc([O-])cc1 ZINC000268613481 378081719 /nfs/dbraw/zinc/08/17/19/378081719.db2.gz RZDPQCXREKSGJQ-HXUWFJFHSA-N -1 3 290.388 3.012 20 0 CGADHM Cc1ccc(CN[C@H](CC(=O)[O-])c2ccncc2)cc1C ZINC000578668491 378090331 /nfs/dbraw/zinc/09/03/31/378090331.db2.gz FBVNZMHBYVTHCU-MRXNPFEDSA-N -1 3 284.359 3.004 20 0 CGADHM O=C([O-])CCCCN1CC[C@@H](c2c(F)cccc2F)C1 ZINC000579722652 378188433 /nfs/dbraw/zinc/18/84/33/378188433.db2.gz MWDPNBMIUGKMTP-LLVKDONJSA-N -1 3 283.318 3.009 20 0 CGADHM C[C@@H](c1ccc(F)cc1F)N1C[C@@H](C)[C@](C)(C(=O)[O-])C1 ZINC000579848062 378201144 /nfs/dbraw/zinc/20/11/44/378201144.db2.gz LJAOKKCAHMFUJL-HFBDOXOYSA-N -1 3 283.318 3.068 20 0 CGADHM CC(C)OCCC(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000345140362 378202989 /nfs/dbraw/zinc/20/29/89/378202989.db2.gz RNLQKMJMMHTGAM-GFCCVEGCSA-N -1 3 277.364 3.048 20 0 CGADHM CCC(CC)n1ccc(C(=O)Nc2cc(F)ccc2[O-])n1 ZINC000269506730 378229717 /nfs/dbraw/zinc/22/97/17/378229717.db2.gz GZOHUFFPURDEKG-UHFFFAOYSA-N -1 3 291.326 3.341 20 0 CGADHM CN(C[C@H]1CC=CCC1)C(=O)Cc1ccc([O-])cc1Cl ZINC000345465582 378290664 /nfs/dbraw/zinc/29/06/64/378290664.db2.gz KNNUIUGPLRXSQX-LBPRGKRZSA-N -1 3 293.794 3.403 20 0 CGADHM O=C(NCCC1=CCCC1)c1cc(=O)c2ccccc2[n-]1 ZINC000269983856 378291324 /nfs/dbraw/zinc/29/13/24/378291324.db2.gz PILDOJLVIYAGBU-UHFFFAOYSA-N -1 3 282.343 3.171 20 0 CGADHM CCC(CC)c1nnc(NC([O-])=NOCC(C)C)s1 ZINC000269679408 378252762 /nfs/dbraw/zinc/25/27/62/378252762.db2.gz LATFBCSJKFTEIP-UHFFFAOYSA-N -1 3 286.401 3.151 20 0 CGADHM CCC(CC)c1nnc(NC(=O)[N-]OCC(C)C)s1 ZINC000269679408 378252769 /nfs/dbraw/zinc/25/27/69/378252769.db2.gz LATFBCSJKFTEIP-UHFFFAOYSA-N -1 3 286.401 3.151 20 0 CGADHM C[C@@H]1CC[C@@H](C(=O)Nc2ccc(Cl)cc2[O-])C1 ZINC000345570741 378313287 /nfs/dbraw/zinc/31/32/87/378313287.db2.gz RVKFEPMITOMJBN-RKDXNWHRSA-N -1 3 253.729 3.420 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2ccc(Cl)c(C)c2)n1 ZINC000345936556 378414295 /nfs/dbraw/zinc/41/42/95/378414295.db2.gz WDBNHMKSBVBPCZ-UHFFFAOYSA-N -1 3 276.723 3.310 20 0 CGADHM CSc1ccc(CN2CC[C@H](C)[C@@H](C(=O)[O-])C2)s1 ZINC000584053234 378370133 /nfs/dbraw/zinc/37/01/33/378370133.db2.gz CKYCYRJRHWSNCI-ONGXEEELSA-N -1 3 285.434 3.013 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2cccc(C)c2Cl)n1 ZINC000345936735 378414710 /nfs/dbraw/zinc/41/47/10/378414710.db2.gz JUWSGLHEDCMLAE-UHFFFAOYSA-N -1 3 276.723 3.310 20 0 CGADHM COc1ccccc1[C@@H]1CCCN1Cc1ncccc1[O-] ZINC000584437120 378385603 /nfs/dbraw/zinc/38/56/03/378385603.db2.gz SOOXQNQINVKOCY-HNNXBMFYSA-N -1 3 284.359 3.133 20 0 CGADHM Cc1scc(C(=O)Nc2nc(C)ccc2[O-])c1C ZINC000345979102 378428456 /nfs/dbraw/zinc/42/84/56/378428456.db2.gz IRJNLQRLDVZJTO-UHFFFAOYSA-N -1 3 262.334 3.026 20 0 CGADHM CCC(CC)c1noc(-c2n[n-]nc2-c2ccccc2)n1 ZINC000346408987 378571849 /nfs/dbraw/zinc/57/18/49/378571849.db2.gz KPAXJEAAKFVULL-UHFFFAOYSA-N -1 3 283.335 3.425 20 0 CGADHM Cc1cc(C(=O)N2CCC[C@@H]2c2cccn2C)ccc1[O-] ZINC000272442605 378638296 /nfs/dbraw/zinc/63/82/96/378638296.db2.gz MSRHUZXPHXGGTL-OAHLLOKOSA-N -1 3 284.359 3.016 20 0 CGADHM Cc1cc(C(=O)N[C@H]2CCCOc3ccccc32)ccc1[O-] ZINC000272352957 378618592 /nfs/dbraw/zinc/61/85/92/378618592.db2.gz DHSYWNCSIAETHT-HNNXBMFYSA-N -1 3 297.354 3.344 20 0 CGADHM CC[C@@H]1C[C@@H](c2nc(-c3ccc([O-])cc3)no2)CCO1 ZINC000272508043 378653620 /nfs/dbraw/zinc/65/36/20/378653620.db2.gz VQFJYPYIBHXHQV-WCQYABFASA-N -1 3 274.320 3.115 20 0 CGADHM Cc1cc(C(=O)N(C)CCCc2ccccc2)ccc1[O-] ZINC000272492087 378649869 /nfs/dbraw/zinc/64/98/69/378649869.db2.gz RTZHIHMWIQCMGB-UHFFFAOYSA-N -1 3 283.371 3.405 20 0 CGADHM CC(C)(C)OC1CCN(Cc2cc([O-])cc(F)c2)CC1 ZINC000274592428 378856863 /nfs/dbraw/zinc/85/68/63/378856863.db2.gz PMWMDWMBZPZFAN-UHFFFAOYSA-N -1 3 281.371 3.311 20 0 CGADHM COCC[C@@H]([N-]c1nnc(C2CC2)o1)c1ccc(C)o1 ZINC000278526568 194027956 /nfs/dbraw/zinc/02/79/56/194027956.db2.gz ZOEDLIFFCWTRPS-LLVKDONJSA-N -1 3 277.324 3.038 20 0 CGADHM O=C([N-]c1nc(C2CCC2)cs1)c1ncc(F)cc1F ZINC000277486101 379171753 /nfs/dbraw/zinc/17/17/53/379171753.db2.gz CIPHDPJWMDZYHB-UHFFFAOYSA-N -1 3 295.314 3.336 20 0 CGADHM C[C@@H](CCNCc1ccc(Cl)cc1F)CC(=O)[O-] ZINC000277521945 379180938 /nfs/dbraw/zinc/18/09/38/379180938.db2.gz YSJLLASXPAONKT-VIFPVBQESA-N -1 3 273.735 3.070 20 0 CGADHM O=C(NCCCC(F)(F)F)c1cc(=O)c2ccccc2[n-]1 ZINC000266595325 190269342 /nfs/dbraw/zinc/26/93/42/190269342.db2.gz YCFFTHNMDQFBDP-UHFFFAOYSA-N -1 3 298.264 3.013 20 0 CGADHM CCc1cnccc1[C@H](C)NCc1cc([O-])cc(F)c1 ZINC000349663486 379336436 /nfs/dbraw/zinc/33/64/36/379336436.db2.gz DGKFVUUAXKJPAS-NSHDSACASA-N -1 3 274.339 3.340 20 0 CGADHM O=C(Nc1ncccc1[O-])C1CCC(C(F)(F)F)CC1 ZINC000278344302 379355541 /nfs/dbraw/zinc/35/55/41/379355541.db2.gz FYVGCPOUJPJLNU-UHFFFAOYSA-N -1 3 288.269 3.094 20 0 CGADHM O=C(c1ccccc1[O-])N1CC[C@@](F)(c2ccccc2)C1 ZINC000374525667 379454697 /nfs/dbraw/zinc/45/46/97/379454697.db2.gz ZFCBIYNCIRJQQK-KRWDZBQOSA-N -1 3 285.318 3.103 20 0 CGADHM COc1cc(-c2noc(C3(SC)CCC3)n2)ccc1[O-] ZINC000350614957 379575348 /nfs/dbraw/zinc/57/53/48/379575348.db2.gz ZFYNDEUJNXTTNX-UHFFFAOYSA-N -1 3 292.360 3.193 20 0 CGADHM CO[C@@H]1CCC[C@@H](Cc2nc(-c3ccc([O-])cc3)no2)C1 ZINC000280253285 379656619 /nfs/dbraw/zinc/65/66/19/379656619.db2.gz IZQQXINCPJZZGO-BXUZGUMPSA-N -1 3 288.347 3.190 20 0 CGADHM C[C@@H]1C[C@@H]1[C@@H]([N-]C(=O)C(F)F)c1ccc(Cl)cc1 ZINC000279007021 194248669 /nfs/dbraw/zinc/24/86/69/194248669.db2.gz HESMYDWIUJUJJG-GGVZMXCHSA-N -1 3 273.710 3.418 20 0 CGADHM O=C(c1cc([O-])ccc1Cl)N(CC1CC1)C1CCC1 ZINC000352562454 379858587 /nfs/dbraw/zinc/85/85/87/379858587.db2.gz LCASEONCXBPZKC-UHFFFAOYSA-N -1 3 279.767 3.450 20 0 CGADHM Cc1ccc(C(=O)N2CC(C)(C)[C@@H]3CCC[C@@H]32)c([O-])c1 ZINC000378845102 379859803 /nfs/dbraw/zinc/85/98/03/379859803.db2.gz RFLPSZZKSBUZFC-KGLIPLIRSA-N -1 3 273.376 3.351 20 0 CGADHM Cc1nocc1[N-]C(=O)c1sc(C(C)(C)C)nc1C ZINC000640486317 379811233 /nfs/dbraw/zinc/81/12/33/379811233.db2.gz NXCFEHZFMPEMOF-UHFFFAOYSA-N -1 3 279.365 3.298 20 0 CGADHM CC1(C)CC[C@@H](NCc2c(F)ccc([O-])c2F)C1 ZINC000352702667 379916303 /nfs/dbraw/zinc/91/63/03/379916303.db2.gz ALGHMDXCXYHJRA-SECBINFHSA-N -1 3 255.308 3.339 20 0 CGADHM CC(C)(COCc1ccccc1)NC(=O)c1cccc([O-])c1 ZINC000282231429 379876942 /nfs/dbraw/zinc/87/69/42/379876942.db2.gz UXQGHVKYEPNNSI-UHFFFAOYSA-N -1 3 299.370 3.117 20 0 CGADHM Cc1ccc(CNCCCCCC(=O)[O-])c(Cl)c1 ZINC000386516757 379876966 /nfs/dbraw/zinc/87/69/66/379876966.db2.gz MYRJSWDIJHRIDU-UHFFFAOYSA-N -1 3 269.772 3.383 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)C2=CCCCC2)c1-c1cccc(F)c1 ZINC000640945183 379882436 /nfs/dbraw/zinc/88/24/36/379882436.db2.gz UNUSQQVSBUDEMA-UHFFFAOYSA-N -1 3 299.349 3.385 20 0 CGADHM Cc1ccc(NC(=O)[C@@H]2CC3CCC2CC3)c([O-])c1 ZINC000389410197 379896839 /nfs/dbraw/zinc/89/68/39/379896839.db2.gz KVJOLPNCBPFOFG-WXRRBKDZSA-N -1 3 259.349 3.465 20 0 CGADHM CC[C@@H](CNC(=O)c1ccccc1[O-])CC(F)(F)F ZINC000402498733 379965950 /nfs/dbraw/zinc/96/59/50/379965950.db2.gz ZMJCTAIJGVDKKO-SECBINFHSA-N -1 3 275.270 3.101 20 0 CGADHM O=C(CC1CC(c2ccccc2)C1)[N-]OCc1cccnc1 ZINC000282765953 379984900 /nfs/dbraw/zinc/98/49/00/379984900.db2.gz OMSKEIBUVFBWFU-UHFFFAOYSA-N -1 3 296.370 3.213 20 0 CGADHM COC(C)(C)CS(=O)(=O)[N-]c1cccc(C2CCC2)c1 ZINC000414387767 380219064 /nfs/dbraw/zinc/21/90/64/380219064.db2.gz WWNXWILLXLBVSV-UHFFFAOYSA-N -1 3 297.420 3.121 20 0 CGADHM C[C@@H]1C[C@@H]1c1ccc(CNCCCCCC(=O)[O-])o1 ZINC000414685073 380372088 /nfs/dbraw/zinc/37/20/88/380372088.db2.gz RWNNDKCKXVRZTM-YPMHNXCESA-N -1 3 265.353 3.138 20 0 CGADHM CC(C)(C)CC[C@@H](NCc1ccc(Cl)o1)C(=O)[O-] ZINC000414666075 380360669 /nfs/dbraw/zinc/36/06/69/380360669.db2.gz VBAPSTJABXSUHG-SNVBAGLBSA-N -1 3 273.760 3.302 20 0 CGADHM Cc1cc(C(=O)N(C)Cc2ccc(F)c(F)c2)ccc1[O-] ZINC000354348544 380407951 /nfs/dbraw/zinc/40/79/51/380407951.db2.gz NJPIWFGVYJQYDI-UHFFFAOYSA-N -1 3 291.297 3.251 20 0 CGADHM Cc1cccc([O-])c1NC(=O)[C@@H]1CCCCCC(=O)C1 ZINC000644051823 380411427 /nfs/dbraw/zinc/41/14/27/380411427.db2.gz HXURMIVLLWNMNE-GFCCVEGCSA-N -1 3 275.348 3.179 20 0 CGADHM CCc1cc(C(=O)N[C@@H](C)c2cnccc2C)ccc1[O-] ZINC000644052359 380413018 /nfs/dbraw/zinc/41/30/18/380413018.db2.gz UZEZSFJBOOJPHE-LBPRGKRZSA-N -1 3 284.359 3.149 20 0 CGADHM O=C(Nc1ncccc1[O-])[C@@H]1CCC[C@@H]2CCCC[C@H]12 ZINC000354612228 380503622 /nfs/dbraw/zinc/50/36/22/380503622.db2.gz KKMXVMYAHJMHDY-RWMBFGLXSA-N -1 3 274.364 3.332 20 0 CGADHM COc1cc(C)ccc1CN[C@@H](C(=O)[O-])c1ccc(C)cc1 ZINC000417531412 380633414 /nfs/dbraw/zinc/63/34/14/380633414.db2.gz JIXBNTQGRXSUEC-QGZVFWFLSA-N -1 3 299.370 3.228 20 0 CGADHM COc1cccc(Cl)c1CNCC1(CC(=O)[O-])CCC1 ZINC000417570044 380642059 /nfs/dbraw/zinc/64/20/59/380642059.db2.gz RIXOROXTFVMVBW-UHFFFAOYSA-N -1 3 297.782 3.083 20 0 CGADHM [O-]c1cc(F)cc(CN2CCSC[C@@H]2C2CCC2)c1 ZINC000418128468 380706879 /nfs/dbraw/zinc/70/68/79/380706879.db2.gz QKULALKIYZWPMD-OAHLLOKOSA-N -1 3 281.396 3.249 20 0 CGADHM C[C@@H](CNCc1ccc(Oc2ccccc2)o1)CC(=O)[O-] ZINC000417613152 380651470 /nfs/dbraw/zinc/65/14/70/380651470.db2.gz CSQLHSLHBHZOSW-GFCCVEGCSA-N -1 3 289.331 3.272 20 0 CGADHM COc1ccccc1CN[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC000417613542 380652012 /nfs/dbraw/zinc/65/20/12/380652012.db2.gz DCDVPDJWHWLCDV-HOTGVXAUSA-N -1 3 297.354 3.098 20 0 CGADHM CC[C@@H](CCC(=O)[O-])NCc1nc2c(s1)C[C@H](C)CC2 ZINC000417620252 380654679 /nfs/dbraw/zinc/65/46/79/380654679.db2.gz IUAOSRFKTAPMQC-MNOVXSKESA-N -1 3 296.436 3.001 20 0 CGADHM CC(C)(C)c1ccc(CN[C@@H]2C=C[C@H](C(=O)[O-])C2)s1 ZINC000417623270 380656262 /nfs/dbraw/zinc/65/62/62/380656262.db2.gz PKNOAJKFVGPIMW-WDEREUQCSA-N -1 3 279.405 3.165 20 0 CGADHM O=C([O-])[C@@H](CC1CC1)NCc1c(Cl)oc2ccccc21 ZINC000417630387 380658401 /nfs/dbraw/zinc/65/84/01/380658401.db2.gz WLAVMNHJRHRTSC-GFCCVEGCSA-N -1 3 293.750 3.429 20 0 CGADHM C[C@H]1CN(Cc2cccc([O-])c2Cl)C[C@H](C)S1 ZINC000646065859 380817899 /nfs/dbraw/zinc/81/78/99/380817899.db2.gz CPOOURUCLGVJSH-UWVGGRQHSA-N -1 3 271.813 3.371 20 0 CGADHM Cc1cc(CNCc2cccc([O-])c2Cl)cc(C)n1 ZINC000421387066 380932623 /nfs/dbraw/zinc/93/26/23/380932623.db2.gz SPJBIWSWYHKZSR-UHFFFAOYSA-N -1 3 276.767 3.347 20 0 CGADHM Cc1cccc([O-])c1NC(=O)CO[C@H]1CCCC[C@H]1C ZINC000357093719 381026050 /nfs/dbraw/zinc/02/60/50/381026050.db2.gz LRCNPWXJEOYAKX-RISCZKNCSA-N -1 3 277.364 3.234 20 0 CGADHM C[C@@H](CC(C)(C)C)C(=O)NCc1ccc([O-])c(F)c1 ZINC000357156294 381046994 /nfs/dbraw/zinc/04/69/94/381046994.db2.gz YSIISYXLTNOZLC-JTQLQIEISA-N -1 3 267.344 3.220 20 0 CGADHM CC(C)(C)CCS(=O)(=O)[N-]c1cc(F)c(F)c(F)c1 ZINC000357131256 381040444 /nfs/dbraw/zinc/04/04/44/381040444.db2.gz QEOSBSFSBRRIKR-UHFFFAOYSA-N -1 3 295.326 3.282 20 0 CGADHM CCO[C@@H]1C[C@@H](NC(=O)c2cccc([O-])c2)C1(CC)CC ZINC000357307250 381098741 /nfs/dbraw/zinc/09/87/41/381098741.db2.gz OVHKCUXMJDHWNT-HUUCEWRRSA-N -1 3 291.391 3.106 20 0 CGADHM CC1(NC(=O)Cc2ccc([O-])cc2Cl)CCCC1 ZINC000357334063 381109922 /nfs/dbraw/zinc/10/99/22/381109922.db2.gz DXMUUVRPLDWEGR-UHFFFAOYSA-N -1 3 267.756 3.037 20 0 CGADHM CSCc1nc(=O)c2c3ccccc3sc2[n-]1 ZINC000357469894 381171514 /nfs/dbraw/zinc/17/15/14/381171514.db2.gz GOSJJHHGLZYIMT-UHFFFAOYSA-N -1 3 262.359 3.413 20 0 CGADHM CCn1c(=O)[n-]nc1SCc1ccccc1SC ZINC000357757563 381278425 /nfs/dbraw/zinc/27/84/25/381278425.db2.gz LWMJRPXJEJQCCP-UHFFFAOYSA-N -1 3 281.406 3.018 20 0 CGADHM O=C(NCc1ncccc1[O-])c1ccc(F)c2ccccc12 ZINC000360297600 381507553 /nfs/dbraw/zinc/50/75/53/381507553.db2.gz AIEUPZLAFUEVHC-UHFFFAOYSA-N -1 3 296.301 3.010 20 0 CGADHM CC=Cc1ccc(NC(=O)c2ccc3n[n-]nc3c2)cc1 ZINC000360323809 381517165 /nfs/dbraw/zinc/51/71/65/381517165.db2.gz INAZLSLSYFYLFR-NSCUHMNNSA-N -1 3 278.315 3.243 20 0 CGADHM Cc1cc(C)c2[n-]cc(C(=O)N3CCCCCC3)c(=O)c2c1 ZINC000361184204 381659996 /nfs/dbraw/zinc/65/99/96/381659996.db2.gz MCHWMUALFDGGGD-UHFFFAOYSA-N -1 3 298.386 3.161 20 0 CGADHM Cc1cccc2c(=O)c(C(=O)N3CCCCC[C@H]3C)c[n-]c12 ZINC000361438315 381747503 /nfs/dbraw/zinc/74/75/03/381747503.db2.gz XKJHPHPTWMGPRY-CYBMUJFWSA-N -1 3 298.386 3.241 20 0 CGADHM Cc1cc(C)c2[n-]cc(C(=O)N(C)[C@H](C)C3CC3)c(=O)c2c1 ZINC000361384371 381724222 /nfs/dbraw/zinc/72/42/22/381724222.db2.gz DKWJJFYFPVZXTR-GFCCVEGCSA-N -1 3 298.386 3.015 20 0 CGADHM CCc1cc(=O)[n-]c(CN[C@@H]2CCCCC23CCCC3)n1 ZINC000361596202 381826602 /nfs/dbraw/zinc/82/66/02/381826602.db2.gz RHEYKTCUYVTLCR-CQSZACIVSA-N -1 3 289.423 3.337 20 0 CGADHM Clc1cccc(-c2noc([N-][C@@H]3C[C@H]4CC[C@@H]3O4)n2)c1 ZINC000265245243 542357102 /nfs/dbraw/zinc/35/71/02/542357102.db2.gz VDJBHBWCULRDOV-UTUOFQBUSA-N -1 3 291.738 3.122 20 0 CGADHM Cc1cc(C)c2[n-]cc(C(=O)N3C[C@H](C)C[C@@H]3C)c(=O)c2c1 ZINC000331989114 291828965 /nfs/dbraw/zinc/82/89/65/291828965.db2.gz NQDKGVNZBHLRGU-YPMHNXCESA-N -1 3 298.386 3.015 20 0 CGADHM C[C@@H]1CCN(C(=O)c2cc([O-])c3ccccc3c2)[C@H]1C ZINC000280155433 542381239 /nfs/dbraw/zinc/38/12/39/542381239.db2.gz BNYIHCUOBLSBSI-NEPJUHHUSA-N -1 3 269.344 3.416 20 0 CGADHM Cc1cccc(C)c1C[S@@](=O)c1cccc([O-])c1 ZINC000350510273 219031579 /nfs/dbraw/zinc/03/15/79/219031579.db2.gz MXAAIROENDLPRA-GOSISDBHSA-N -1 3 260.358 3.317 20 0 CGADHM Cc1cc(C(=O)NCc2nc3ccccc3s2)ccc1[O-] ZINC000353870765 220379889 /nfs/dbraw/zinc/37/98/89/220379889.db2.gz NDKLINKUEBZXBN-UHFFFAOYSA-N -1 3 298.367 3.240 20 0 CGADHM CCC[C@@]1(NC(=O)c2cc([O-])c3ccccc3c2)CCOC1 ZINC000287747401 542396755 /nfs/dbraw/zinc/39/67/55/542396755.db2.gz GPIGFFWNNGFYAV-GOSISDBHSA-N -1 3 299.370 3.234 20 0 CGADHM C[C@@H](c1ccccc1Cl)N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000302461803 572517441 /nfs/dbraw/zinc/51/74/41/572517441.db2.gz DXUWFZKYBWRVKA-GRYCIOLGSA-N -1 3 281.783 3.444 20 0 CGADHM C[C@H]1CCN(Cc2ccc(F)c(Cl)c2)[C@H](C(=O)[O-])C1 ZINC000300066847 542411808 /nfs/dbraw/zinc/41/18/08/542411808.db2.gz KALTWTONPZFKRB-ZANVPECISA-N -1 3 285.746 3.164 20 0 CGADHM [O-]c1coc2cc(OC[C@H]3CCC(F)(F)C3)ccc12 ZINC000305941236 542420252 /nfs/dbraw/zinc/42/02/52/542420252.db2.gz FYHACMMKYJVRNS-VIFPVBQESA-N -1 3 268.259 3.076 20 0 CGADHM C[C@@H]1CCC[C@@H](CNC(=O)c2cccc([O-])c2)[C@@H]1C ZINC000435927685 296432182 /nfs/dbraw/zinc/43/21/82/296432182.db2.gz CYMSXSPGSHKTAB-BZPMIXESSA-N -1 3 261.365 3.194 20 0 CGADHM [O-]c1ccccc1-c1nc([C@@H]2CCC(F)(F)C2)no1 ZINC000281562950 195290551 /nfs/dbraw/zinc/29/05/51/195290551.db2.gz YKLKBELHNVXMMO-MRVPVSSYSA-N -1 3 266.247 3.345 20 0 CGADHM O=C([N-][C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1)C(F)F ZINC000281575432 195293535 /nfs/dbraw/zinc/29/35/35/195293535.db2.gz URKLIWLTMOEYTG-CZMCAQCFSA-N -1 3 293.235 3.333 20 0 CGADHM C[C@@H](NC(=O)c1ccc(O)cc1[O-])[C@H](C)c1ccccc1 ZINC000175547238 533291657 /nfs/dbraw/zinc/29/16/57/533291657.db2.gz ZNISIOJLSBLHAJ-NWDGAFQWSA-N -1 3 285.343 3.020 20 0 CGADHM C[C@@H](C(=O)[N-][C@](C)(C1CC1)C(F)(F)F)C(F)(F)F ZINC000361243508 533311463 /nfs/dbraw/zinc/31/14/63/533311463.db2.gz JLBNFVRVTIHLFC-YLWLKBPMSA-N -1 3 277.208 3.032 20 0 CGADHM COc1c2ccccc2oc1CNC(=O)c1ccccc1[O-] ZINC000436929021 533451068 /nfs/dbraw/zinc/45/10/68/533451068.db2.gz CUAMVRORZSXORM-UHFFFAOYSA-N -1 3 297.310 3.077 20 0 CGADHM Cc1ccc(C(=O)Nc2ccnn2[C@@H](C)C2CC2)c([O-])c1C ZINC000436569193 533617908 /nfs/dbraw/zinc/61/79/08/533617908.db2.gz AXWQLSFUJKBLLU-LBPRGKRZSA-N -1 3 299.374 3.429 20 0 CGADHM COc1cc(C)cc(C(=O)Nc2ccc(F)c(C)c2)c1[O-] ZINC000436569014 533623036 /nfs/dbraw/zinc/62/30/36/533623036.db2.gz YUESDUALKMALJE-UHFFFAOYSA-N -1 3 289.306 3.409 20 0 CGADHM [O-]c1coc2cc(OCCCOCc3ccccc3)ccc12 ZINC000382010474 542599061 /nfs/dbraw/zinc/59/90/61/542599061.db2.gz UITULJKLZBZXSM-UHFFFAOYSA-N -1 3 298.338 3.247 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-][C@H](C)c2ccsc2)c(F)c1 ZINC000404920573 542625528 /nfs/dbraw/zinc/62/55/28/542625528.db2.gz HLBJPIFKUBQSBH-SNVBAGLBSA-N -1 3 299.392 3.235 20 0 CGADHM CC(C)[C@H](C)N(C)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000030149380 391959681 /nfs/dbraw/zinc/95/96/81/391959681.db2.gz PHSMDHKJHADBSC-NSHDSACASA-N -1 3 299.374 3.146 20 0 CGADHM CC(C)(C)CC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000030372028 391959941 /nfs/dbraw/zinc/95/99/41/391959941.db2.gz PPIPCRSNSNTYEG-UHFFFAOYSA-N -1 3 293.791 3.194 20 0 CGADHM Cc1ccc([O-])c(C(=O)N[C@H](C)C2CCCCC2)c1 ZINC000052343681 392078464 /nfs/dbraw/zinc/07/84/64/392078464.db2.gz MVTOVMWBAWVAEC-GFCCVEGCSA-N -1 3 261.365 3.399 20 0 CGADHM CCOc1ccccc1CNCCc1cccc(C(=O)[O-])c1 ZINC000426690860 542650461 /nfs/dbraw/zinc/65/04/61/542650461.db2.gz CZPYPTOPRHMZKF-UHFFFAOYSA-N -1 3 299.370 3.116 20 0 CGADHM Cc1ncsc1C(=O)[N-]c1c(F)cc(F)cc1F ZINC000072507219 392207333 /nfs/dbraw/zinc/20/73/33/392207333.db2.gz WGZBSBCJFBLRBG-UHFFFAOYSA-N -1 3 272.251 3.121 20 0 CGADHM C[C@H](C(=O)[N-][C@@](C)(C1CC1)C(F)(F)F)C(F)(F)F ZINC000361243506 392264325 /nfs/dbraw/zinc/26/43/25/392264325.db2.gz JLBNFVRVTIHLFC-XRGYYRRGSA-N -1 3 277.208 3.032 20 0 CGADHM CCN(CC(F)(F)F)C(=O)c1cc([O-])ccc1Cl ZINC000233455790 130929615 /nfs/dbraw/zinc/92/96/15/130929615.db2.gz CWVJMXDUNKELHJ-UHFFFAOYSA-N -1 3 281.661 3.070 20 0 CGADHM COc1cc(C)cc(-c2nc(-c3cccc(C)n3)no2)c1[O-] ZINC000436908756 542659176 /nfs/dbraw/zinc/65/91/76/542659176.db2.gz JSIPLBSNNLUZCP-UHFFFAOYSA-N -1 3 297.314 3.130 20 0 CGADHM CCO[N-]C(=O)[C@H]1C[C@H]1c1cccc2ccccc21 ZINC000107572113 392325532 /nfs/dbraw/zinc/32/55/32/392325532.db2.gz QULNUFYTQSUCRR-GJZGRUSLSA-N -1 3 255.317 3.011 20 0 CGADHM COc1ccc(NC(=O)Cc2ccc3c(c2)CCC3)c([O-])c1 ZINC000443559614 542666811 /nfs/dbraw/zinc/66/68/11/542666811.db2.gz OLMWDEMCPWCCEL-UHFFFAOYSA-N -1 3 297.354 3.071 20 0 CGADHM COc1ccc(NC(=O)[C@H]2CCCc3ccccc32)c([O-])c1 ZINC000443561983 542667120 /nfs/dbraw/zinc/66/71/20/542667120.db2.gz UYBVUMRDOYMLFK-HNNXBMFYSA-N -1 3 297.354 3.459 20 0 CGADHM Cc1noc(C)c1C(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000286039015 392367463 /nfs/dbraw/zinc/36/74/63/392367463.db2.gz KJEWNQWKJIYKSG-SECBINFHSA-N -1 3 286.331 3.151 20 0 CGADHM CO[C@@H]([C@H](C)NC(=O)c1cc([O-])c2ccccc2c1)C1CC1 ZINC000456542579 542688714 /nfs/dbraw/zinc/68/87/14/542688714.db2.gz DGFGBICHNNVSIJ-GTNSWQLSSA-N -1 3 299.370 3.089 20 0 CGADHM CCCS(=O)(=O)[N-]c1ccc(Oc2ccccc2)cn1 ZINC000152831184 392510033 /nfs/dbraw/zinc/51/00/33/392510033.db2.gz NTGYRLGVJSYYHX-UHFFFAOYSA-N -1 3 292.360 3.026 20 0 CGADHM CCO[C@@H]1CCCN(Cc2cccc([O-])c2Cl)C1 ZINC000328438822 392674513 /nfs/dbraw/zinc/67/45/13/392674513.db2.gz CXEOWUCIBAFMSN-GFCCVEGCSA-N -1 3 269.772 3.047 20 0 CGADHM O=C([N-]c1ccncc1F)c1cnc(-c2ccco2)s1 ZINC000179287668 392694597 /nfs/dbraw/zinc/69/45/97/392694597.db2.gz JMGRILYJJMQCLP-UHFFFAOYSA-N -1 3 289.291 3.190 20 0 CGADHM Cc1ccccc1/C=C/C(=O)Nc1cccc([O-])c1F ZINC000179153957 392688431 /nfs/dbraw/zinc/68/84/31/392688431.db2.gz HHZCXMIQEIGNBO-MDZDMXLPSA-N -1 3 271.291 3.492 20 0 CGADHM COc1ccc(NC(=O)C(C)(C)C(C)(C)C)c([O-])c1 ZINC000504900018 392640364 /nfs/dbraw/zinc/64/03/64/392640364.db2.gz PWGJZYNYIMTJHM-UHFFFAOYSA-N -1 3 265.353 3.412 20 0 CGADHM CC[C@@H](C)CSCC(=O)Nc1ccccc1[O-] ZINC000180713784 392711297 /nfs/dbraw/zinc/71/12/97/392711297.db2.gz DMNNSFXKWIJKCT-SNVBAGLBSA-N -1 3 253.367 3.110 20 0 CGADHM Cc1ccc(C(=O)N[C@H](C)CCCc2cccnc2)c([O-])c1 ZINC000457922354 392799723 /nfs/dbraw/zinc/79/97/23/392799723.db2.gz GSYOJFBSXBELCM-CQSZACIVSA-N -1 3 298.386 3.237 20 0 CGADHM Cc1ccc(C(=O)Nc2c(O)cccc2Cl)c([O-])c1 ZINC000647836059 392810013 /nfs/dbraw/zinc/81/00/13/392810013.db2.gz FGOIWLCZUUPSIG-UHFFFAOYSA-N -1 3 277.707 3.312 20 0 CGADHM C[C@H]1CC2(CN1Cc1cccc([O-])c1Cl)CCOCC2 ZINC000648070927 392901247 /nfs/dbraw/zinc/90/12/47/392901247.db2.gz MZSBDBXAPDMRKT-LBPRGKRZSA-N -1 3 295.810 3.437 20 0 CGADHM [O-]c1ccc(CNCc2nc(-c3ccccc3)c[nH]2)cc1F ZINC000194326702 392914745 /nfs/dbraw/zinc/91/47/45/392914745.db2.gz WRYFUMQPCXVSAS-UHFFFAOYSA-N -1 3 297.333 3.211 20 0 CGADHM Cc1ccc(CCNC(=O)c2cc([O-])c3ccccc3c2)o1 ZINC000527447145 542741426 /nfs/dbraw/zinc/74/14/26/542741426.db2.gz JHAWCQHQUYFJTJ-UHFFFAOYSA-N -1 3 295.338 3.419 20 0 CGADHM Cc1cccc(C(=O)N[C@@H]2C[C@@H]2c2cccc(F)c2)c1[O-] ZINC000195716136 392974243 /nfs/dbraw/zinc/97/42/43/392974243.db2.gz DGWLEKLFMZERON-HUUCEWRRSA-N -1 3 285.318 3.126 20 0 CGADHM CCc1cccc(-c2nc([C@@H]3CCO[C@H](C)C3)no2)c1[O-] ZINC000547213009 393099852 /nfs/dbraw/zinc/09/98/52/393099852.db2.gz LRPCXHGSSNOBCI-ZYHUDNBSSA-N -1 3 288.347 3.287 20 0 CGADHM COc1ccc(NC(=O)CC2CC(C)(C)C2)c([O-])c1 ZINC000349207018 393140764 /nfs/dbraw/zinc/14/07/64/393140764.db2.gz GCEMPDBPFYTOOR-UHFFFAOYSA-N -1 3 263.337 3.166 20 0 CGADHM [O-]c1cc(F)cc(CN2CCCNc3ccccc32)c1 ZINC000415101654 393145381 /nfs/dbraw/zinc/14/53/81/393145381.db2.gz NVNZWPIJFHGIAT-UHFFFAOYSA-N -1 3 272.323 3.354 20 0 CGADHM CC[C@@H](C)[C@H](C)NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000468616791 393155615 /nfs/dbraw/zinc/15/56/15/393155615.db2.gz CLKQFQDJXICSSN-NEPJUHHUSA-N -1 3 281.371 3.405 20 0 CGADHM CC(C)(C)c1nc(C=Cc2cccc(O)c2)cc(=O)[n-]1 ZINC000470253596 393235564 /nfs/dbraw/zinc/23/55/64/393235564.db2.gz DWTIUCFHBBBSLW-BQYQJAHWSA-N -1 3 270.332 3.356 20 0 CGADHM C[C@@H]1[C@@H](C)CN1Cc1cc([O-])cc(C(F)(F)F)c1 ZINC000646252548 393247612 /nfs/dbraw/zinc/24/76/12/393247612.db2.gz NJQDTJMJWSNNHB-DTWKUNHWSA-N -1 3 259.271 3.251 20 0 CGADHM CCOc1nc2cc(C(=O)NC(C)(CC)CC)ccc2[n-]1 ZINC000469655254 393204795 /nfs/dbraw/zinc/20/47/95/393204795.db2.gz ROJDGMHUHCMAKX-UHFFFAOYSA-N -1 3 289.379 3.270 20 0 CGADHM CCOc1nc2ccc(C(=O)NC(C)(CC)CC)cc2[n-]1 ZINC000469655254 393204803 /nfs/dbraw/zinc/20/48/03/393204803.db2.gz ROJDGMHUHCMAKX-UHFFFAOYSA-N -1 3 289.379 3.270 20 0 CGADHM C[C@@H]1[C@@H](C)[C@H](C)CN1C(=O)Cc1ccc([O-])cc1Cl ZINC000416327870 393301688 /nfs/dbraw/zinc/30/16/88/393301688.db2.gz YRTLVBYIVWHZQC-OUAUKWLOSA-N -1 3 281.783 3.091 20 0 CGADHM Cc1nc2c(cccc2C(=O)Nc2ccccc2[O-])o1 ZINC000471791231 393305532 /nfs/dbraw/zinc/30/55/32/393305532.db2.gz IGVYOSGNZQNFDW-UHFFFAOYSA-N -1 3 268.272 3.094 20 0 CGADHM Cc1cc2c([n-]c(-c3cc(C)ccn3)nc2=O)s1 ZINC000349282826 292013062 /nfs/dbraw/zinc/01/30/62/292013062.db2.gz JNAXDKRVSRBFFM-UHFFFAOYSA-N -1 3 257.318 3.076 20 0 CGADHM CC1(C)CCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000646878571 393327027 /nfs/dbraw/zinc/32/70/27/393327027.db2.gz WGPMHPISTWRXJY-UHFFFAOYSA-N -1 3 287.281 3.283 20 0 CGADHM O=c1cc(CSCCCCF)nc(C2CC2)[n-]1 ZINC000419482126 393392044 /nfs/dbraw/zinc/39/20/44/393392044.db2.gz XFIODDCWPUBRHH-UHFFFAOYSA-N -1 3 256.346 3.043 20 0 CGADHM CN(C(=O)NCc1ccc([O-])c(F)c1)[C@@H]1CCC(C)(C)C1 ZINC000474383059 393340193 /nfs/dbraw/zinc/34/01/93/393340193.db2.gz GSDBFCYPJNGBEA-GFCCVEGCSA-N -1 3 294.370 3.251 20 0 CGADHM CC1(C)COCCN1Cc1cc([O-])cc(C(F)(F)F)c1 ZINC000356061076 393354907 /nfs/dbraw/zinc/35/49/07/393354907.db2.gz JJKQKENIMRDYOV-UHFFFAOYSA-N -1 3 289.297 3.022 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC000649228997 393376246 /nfs/dbraw/zinc/37/62/46/393376246.db2.gz IRYUEOAWQWEBME-KGLIPLIRSA-N -1 3 283.375 3.006 20 0 CGADHM Cc1nc2ccccc2c(N2CC[C@@H](C(=O)[O-])[C@H]2C)c1C ZINC000649406960 393414049 /nfs/dbraw/zinc/41/40/49/393414049.db2.gz KDCGULRJDWXRPJ-CHWSQXEVSA-N -1 3 284.359 3.151 20 0 CGADHM CCn1c(=O)[n-]nc1SCc1ccc(SC)cc1 ZINC000649469470 393439404 /nfs/dbraw/zinc/43/94/04/393439404.db2.gz NXHVHLZQHZHVJU-UHFFFAOYSA-N -1 3 281.406 3.018 20 0 CGADHM Cc1ccc(C(=O)N=c2cc(-c3ccccc3)[n-][nH]2)c(F)c1 ZINC000488958529 393566148 /nfs/dbraw/zinc/56/61/48/393566148.db2.gz WPBXXIWHGITLHB-UHFFFAOYSA-N -1 3 295.317 3.198 20 0 CGADHM CCC1(C)CN(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000360902917 393611281 /nfs/dbraw/zinc/61/12/81/393611281.db2.gz JCDQUPZHBXVGLO-UHFFFAOYSA-N -1 3 279.355 3.113 20 0 CGADHM O=C(/C=C\c1nc2ccccc2o1)Nc1ccc([O-])cc1F ZINC000492491415 393743308 /nfs/dbraw/zinc/74/33/08/393743308.db2.gz QHEDMZVWBVVLIL-FPLPWBNLSA-N -1 3 298.273 3.324 20 0 CGADHM Cc1ccncc1/C=C\C(=O)Nc1cc(Cl)ccc1[O-] ZINC000492527751 393748994 /nfs/dbraw/zinc/74/89/94/393748994.db2.gz CAZHKIUWBFMDDX-DJWKRKHSSA-N -1 3 288.734 3.401 20 0 CGADHM CC(C)CO[N-]C(=O)/C=C\c1cnc(C(C)(C)C)s1 ZINC000492239068 393707370 /nfs/dbraw/zinc/70/73/70/393707370.db2.gz LPHXMMIOYOJFDD-SREVYHEPSA-N -1 3 282.409 3.158 20 0 CGADHM Cc1ccc(C(=O)N2CC[C@@H]2Cc2ccccc2)c([O-])c1 ZINC000436574634 393717530 /nfs/dbraw/zinc/71/75/30/393717530.db2.gz KPCBXTKYPMIDPN-OAHLLOKOSA-N -1 3 281.355 3.158 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2nc3ccccc3[nH]2)c1 ZINC000500416255 393828031 /nfs/dbraw/zinc/82/80/31/393828031.db2.gz URVWTKLGRUNTNK-UHFFFAOYSA-N -1 3 281.315 3.083 20 0 CGADHM [O-]c1ccc(F)c(CN2C[C@@H](C3CC3)[C@@H]2C2CC2)c1F ZINC000449532151 393885205 /nfs/dbraw/zinc/88/52/05/393885205.db2.gz CTCHMIIKYDIGEE-ZBEGNZNMSA-N -1 3 279.330 3.291 20 0 CGADHM Cc1nnc(C(=O)[N-]c2ccc(OC(C)C)cc2F)s1 ZINC000667659796 542909764 /nfs/dbraw/zinc/90/97/64/542909764.db2.gz QWIFBNKNPCUSQO-UHFFFAOYSA-N -1 3 295.339 3.025 20 0 CGADHM CN(C(=O)c1ccc(O)cc1[O-])C(C)(C)c1ccccc1 ZINC000671586260 543172133 /nfs/dbraw/zinc/17/21/33/543172133.db2.gz LYRLLILAGQBHMR-UHFFFAOYSA-N -1 3 285.343 3.105 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2ncc(Cl)s2)c1 ZINC000673916279 543259451 /nfs/dbraw/zinc/25/94/51/543259451.db2.gz JBEBTLDALHOWHT-UHFFFAOYSA-N -1 3 282.752 3.317 20 0 CGADHM CSc1ccncc1[N-]C(=O)c1cc(F)cc(F)c1 ZINC000674257003 543277553 /nfs/dbraw/zinc/27/75/53/543277553.db2.gz XUOYOCCIUNYENP-UHFFFAOYSA-N -1 3 280.299 3.334 20 0 CGADHM Cc1ccccc1-c1cc(=NC(=O)CCC2CCC2)[nH][n-]1 ZINC000342164326 397684299 /nfs/dbraw/zinc/68/42/99/397684299.db2.gz ZVEGVGHTGGHIPE-UHFFFAOYSA-N -1 3 283.375 3.326 20 0 CGADHM Cc1ccc(-c2nnc(NC(=O)[C@@H](C)C3CCCC3)[n-]2)o1 ZINC000675708474 543356942 /nfs/dbraw/zinc/35/69/42/543356942.db2.gz UWFIGMIIMZUBMD-JTQLQIEISA-N -1 3 288.351 3.138 20 0 CGADHM Cc1ccc(-c2n[n-]c(NC(=O)[C@@H](C)C3CCCC3)n2)o1 ZINC000675708474 543356944 /nfs/dbraw/zinc/35/69/44/543356944.db2.gz UWFIGMIIMZUBMD-JTQLQIEISA-N -1 3 288.351 3.138 20 0 CGADHM Cc1ccc(-c2nc(NC(=O)[C@@H](C)C3CCCC3)n[n-]2)o1 ZINC000675708474 543356946 /nfs/dbraw/zinc/35/69/46/543356946.db2.gz UWFIGMIIMZUBMD-JTQLQIEISA-N -1 3 288.351 3.138 20 0 CGADHM O=C(c1ccccc1[O-])N1Cc2ccccc2C(F)(F)C1 ZINC000676373427 543394748 /nfs/dbraw/zinc/39/47/48/543394748.db2.gz BVLOHHXOJYDNOH-UHFFFAOYSA-N -1 3 289.281 3.140 20 0 CGADHM O=C(Nc1ccc(Cl)cc1[O-])[C@H]1CC12CCC2 ZINC000677212465 543440461 /nfs/dbraw/zinc/44/04/61/543440461.db2.gz PCAWTIZXRVEOKA-SECBINFHSA-N -1 3 251.713 3.174 20 0 CGADHM Cc1noc(C(F)F)c1C(=O)Nc1cccc([O-])c1F ZINC000677801072 543466122 /nfs/dbraw/zinc/46/61/22/543466122.db2.gz KEHLABGGZABUJO-UHFFFAOYSA-N -1 3 286.209 3.018 20 0 CGADHM CCc1cccc(C(=O)N(CC)CCC(F)(F)F)c1[O-] ZINC000677874834 543469899 /nfs/dbraw/zinc/46/98/99/543469899.db2.gz FOXNTLNFFZCFLY-UHFFFAOYSA-N -1 3 289.297 3.369 20 0 CGADHM O=C(Nc1ncccc1[O-])[C@@H]1CCc2c1cccc2Cl ZINC000678937855 543574698 /nfs/dbraw/zinc/57/46/98/543574698.db2.gz XMNPIOUYRWLZNN-LLVKDONJSA-N -1 3 288.734 3.109 20 0 CGADHM CSCCCOC(=O)c1cc(-c2cccs2)n[n-]1 ZINC000744761871 572771851 /nfs/dbraw/zinc/77/18/51/572771851.db2.gz HREWTJJVKCUCOY-UHFFFAOYSA-N -1 3 282.390 3.048 20 0 CGADHM CC[C@@H](C)[C@@H](C)C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000558411604 289493094 /nfs/dbraw/zinc/49/30/94/289493094.db2.gz JKMUGTBXRXOAQD-NXEZZACHSA-N -1 3 263.337 3.216 20 0 CGADHM CCc1cc(C(=O)N(CC2CC2)C(C)C)ccc1[O-] ZINC000558903683 289526178 /nfs/dbraw/zinc/52/61/78/289526178.db2.gz FIRLUHLFERXROK-UHFFFAOYSA-N -1 3 261.365 3.215 20 0 CGADHM Cc1ccccc1C[C@@H](C)NC(=O)c1ccccc1[O-] ZINC000049349978 286922963 /nfs/dbraw/zinc/92/29/63/286922963.db2.gz YMERBCBUYQGTJL-CYBMUJFWSA-N -1 3 269.344 3.062 20 0 CGADHM COc1cccc(C(=O)Nc2cc(F)c(F)cc2F)c1[O-] ZINC000061094617 286956785 /nfs/dbraw/zinc/95/67/85/286956785.db2.gz KFTAKCMUFHUXBQ-UHFFFAOYSA-N -1 3 297.232 3.070 20 0 CGADHM C[C@H]([N-]S(=O)(=O)c1cccs1)[C@@H](C)c1ccccc1 ZINC000080801698 287068466 /nfs/dbraw/zinc/06/84/66/287068466.db2.gz OJJIGEMBMFASIB-NEPJUHHUSA-N -1 3 295.429 3.219 20 0 CGADHM COc1ccc([C@H](C)NC(=O)c2cccc(C)c2[O-])cc1 ZINC000080399401 287065075 /nfs/dbraw/zinc/06/50/75/287065075.db2.gz LFVNMFHTVWWTGM-LBPRGKRZSA-N -1 3 285.343 3.200 20 0 CGADHM Cc1ccc(Cc2nnc([N-]C(=O)c3ccoc3)s2)cc1 ZINC000078570379 165132240 /nfs/dbraw/zinc/13/22/40/165132240.db2.gz QOHSFCDGYPVPOK-UHFFFAOYSA-N -1 3 299.355 3.283 20 0 CGADHM Cc1ccsc1C(=O)Nc1ccc([O-])cc1F ZINC000085203870 165179094 /nfs/dbraw/zinc/17/90/94/165179094.db2.gz NGAQLSCOTCXPMT-UHFFFAOYSA-N -1 3 251.282 3.154 20 0 CGADHM Cc1ccc(C(=O)N2CCC[C@H]2c2cccc(C)n2)c([O-])c1 ZINC000092759296 165310623 /nfs/dbraw/zinc/31/06/23/165310623.db2.gz YZOWHGKOMHVTQW-INIZCTEOSA-N -1 3 296.370 3.381 20 0 CGADHM Cc1ccc([O-])c(CN2CCC(OC3CCCC3)CC2)n1 ZINC000092758637 165311924 /nfs/dbraw/zinc/31/19/24/165311924.db2.gz GOBTVYIBGAHHHV-UHFFFAOYSA-N -1 3 290.407 3.019 20 0 CGADHM Cc1cccc(-c2nc(-c3ccccc3)no2)c1[O-] ZINC000111687254 287135962 /nfs/dbraw/zinc/13/59/62/287135962.db2.gz YIDFFMXQFRFMDG-UHFFFAOYSA-N -1 3 252.273 3.418 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CCCC[C@@H]2C(C)C)c1 ZINC000117199423 287159087 /nfs/dbraw/zinc/15/90/87/287159087.db2.gz UDMMVZOWQNGHQR-CQSZACIVSA-N -1 3 261.365 3.351 20 0 CGADHM O=C(/C=C/c1ccco1)Nc1cc(Cl)ccc1[O-] ZINC000018052033 170741035 /nfs/dbraw/zinc/74/10/35/170741035.db2.gz FBILMEMCFOOTPZ-GQCTYLIASA-N -1 3 263.680 3.291 20 0 CGADHM CSc1cccc(NC(=O)c2c([O-])cccc2O)c1 ZINC000125555065 287246964 /nfs/dbraw/zinc/24/69/64/287246964.db2.gz FUVVBBTYABEYJN-UHFFFAOYSA-N -1 3 275.329 3.072 20 0 CGADHM CCN(Cc1ccccc1)C(=O)c1cccc([O-])c1 ZINC000020304379 171141397 /nfs/dbraw/zinc/14/13/97/171141397.db2.gz GGXHKSAEDUGWGT-UHFFFAOYSA-N -1 3 255.317 3.055 20 0 CGADHM Cc1ccc(F)c(NC(=O)c2cccc(C)c2[O-])c1 ZINC000020363083 171162526 /nfs/dbraw/zinc/16/25/26/171162526.db2.gz HDNLHLLZIOOWNR-UHFFFAOYSA-N -1 3 259.280 3.400 20 0 CGADHM O=C([O-])CC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000020457738 171208860 /nfs/dbraw/zinc/20/88/60/171208860.db2.gz OTYMUAURNWJXFB-UHFFFAOYSA-N -1 3 267.756 3.027 20 0 CGADHM COc1cccc(C(=O)Nc2ccc3nc(C)oc3c2)c1[O-] ZINC000126006451 287255351 /nfs/dbraw/zinc/25/53/51/287255351.db2.gz GBHWKOHIBQXNBW-UHFFFAOYSA-N -1 3 298.298 3.103 20 0 CGADHM COc1cccc(C(=O)N2CC[C@H]3CCCC[C@H]3C2)c1[O-] ZINC000035175083 172028649 /nfs/dbraw/zinc/02/86/49/172028649.db2.gz SQURJMGNHTVWDN-OLZOCXBDSA-N -1 3 289.375 3.053 20 0 CGADHM O=C(NCc1ccc([O-])c(F)c1)c1ccc(F)c(Cl)c1 ZINC000127144396 287281885 /nfs/dbraw/zinc/28/18/85/287281885.db2.gz XTYNDWOIEDFHMO-UHFFFAOYSA-N -1 3 297.688 3.254 20 0 CGADHM O=C(Nc1cccc([O-])c1F)c1ccc2cc[nH]c2c1 ZINC000128204603 287305829 /nfs/dbraw/zinc/30/58/29/287305829.db2.gz HQAHCBVCQRYWRX-UHFFFAOYSA-N -1 3 270.263 3.265 20 0 CGADHM Cc1nc(CCCC(=O)Nc2cccc([O-])c2F)cs1 ZINC000128684468 287316145 /nfs/dbraw/zinc/31/61/45/287316145.db2.gz NUWORSPRVAQBFH-UHFFFAOYSA-N -1 3 294.351 3.258 20 0 CGADHM CC[C@H](OC1CCCC1)C(=O)Nc1cccc([O-])c1F ZINC000128845868 287319397 /nfs/dbraw/zinc/31/93/97/287319397.db2.gz JTUNQTRTZDSXHK-ZDUSSCGKSA-N -1 3 281.327 3.208 20 0 CGADHM O=C(CCc1ccsc1)Nc1cccc([O-])c1F ZINC000128731201 287317328 /nfs/dbraw/zinc/31/73/28/287317328.db2.gz FRDCWJXMRXHKTC-UHFFFAOYSA-N -1 3 265.309 3.164 20 0 CGADHM Cc1cc(C(=O)Nc2cccc([O-])c2F)sc1C ZINC000128766611 287317938 /nfs/dbraw/zinc/31/79/38/287317938.db2.gz YZNLIWIJKMVHNB-UHFFFAOYSA-N -1 3 265.309 3.462 20 0 CGADHM C[C@@H](C(=O)Nc1cccc([O-])c1F)c1cccc(F)c1 ZINC000129163100 287325617 /nfs/dbraw/zinc/32/56/17/287325617.db2.gz OKXGXJGJGNWABK-SECBINFHSA-N -1 3 277.270 3.413 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2cc(C(C)C)[nH]n2)c1 ZINC000078480573 177345335 /nfs/dbraw/zinc/34/53/35/177345335.db2.gz HQHFCQJOJDNVBT-UHFFFAOYSA-N -1 3 273.336 3.053 20 0 CGADHM Cc1ccc(NC(=O)Cc2cn(C)c3ccccc23)c([O-])c1 ZINC000049750511 416473804 /nfs/dbraw/zinc/47/38/04/416473804.db2.gz LGWSXYWDYQETNM-UHFFFAOYSA-N -1 3 294.354 3.374 20 0 CGADHM Cn1cc(C(=O)Nc2cccc([O-])c2F)c2ccccc21 ZINC000129452859 287332200 /nfs/dbraw/zinc/33/22/00/287332200.db2.gz LMFRWFFWIJPRIN-UHFFFAOYSA-N -1 3 284.290 3.275 20 0 CGADHM CC(C)CCCN1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000127759424 416511796 /nfs/dbraw/zinc/51/17/96/416511796.db2.gz HAUPYXVVTIXLIS-HNNXBMFYSA-N -1 3 261.365 3.107 20 0 CGADHM CC(C)CCOCCN[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000736432211 572789631 /nfs/dbraw/zinc/78/96/31/572789631.db2.gz SFOQOXHCCXBTMR-AWEZNQCLSA-N -1 3 299.798 3.118 20 0 CGADHM Cc1ccc2c(c1)[C@H](NC(=O)c1ccc([O-])c(C)c1)CC2 ZINC000679409183 543636411 /nfs/dbraw/zinc/63/64/11/543636411.db2.gz LTQGKWFGOZXMDD-MRXNPFEDSA-N -1 3 281.355 3.426 20 0 CGADHM Cc1ccc([O-])c(CN2C[C@H](C(F)(F)F)CC[C@H]2C)n1 ZINC000679583728 543650053 /nfs/dbraw/zinc/65/00/53/543650053.db2.gz FYSYAFBGGHEVLO-GHMZBOCLSA-N -1 3 288.313 3.258 20 0 CGADHM Cc1ccccc1OCC(=O)Nc1c(C)cccc1[O-] ZINC000679320756 543616764 /nfs/dbraw/zinc/61/67/64/543616764.db2.gz LFEIHAPOCYIRAR-UHFFFAOYSA-N -1 3 271.316 3.027 20 0 CGADHM C[C@H](C(=O)N1CCCc2cccc([O-])c21)C1CCCC1 ZINC000679319419 543616863 /nfs/dbraw/zinc/61/68/63/543616863.db2.gz YZHOXJIISSDTMC-LBPRGKRZSA-N -1 3 273.376 3.498 20 0 CGADHM Cc1cccc(CC2CN(C(=O)c3cccc([O-])c3)C2)c1 ZINC000679637222 543652468 /nfs/dbraw/zinc/65/24/68/543652468.db2.gz BMHYGGZHXICLIM-UHFFFAOYSA-N -1 3 281.355 3.015 20 0 CGADHM O=C([N-]c1cc(F)c(F)cc1F)c1coc(C2CC2)n1 ZINC000680844591 543738499 /nfs/dbraw/zinc/73/84/99/543738499.db2.gz AIJLWQKEONDOOG-UHFFFAOYSA-N -1 3 282.221 3.222 20 0 CGADHM C[C@H]1CCN(C(=O)c2ccc3c(c2[O-])CCCC3)C[C@H]1F ZINC000680456789 543711204 /nfs/dbraw/zinc/71/12/04/543711204.db2.gz GSDYLAUGQJHKMW-XHDPSFHLSA-N -1 3 291.366 3.091 20 0 CGADHM C[C@@H]1CCC[C@@H](C)N1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000264634951 287388214 /nfs/dbraw/zinc/38/82/14/287388214.db2.gz CEUBOTYEOOQCGC-VXGBXAGGSA-N -1 3 284.359 3.344 20 0 CGADHM C[C@@H]1CCN(C(=O)c2nccs2)c2c([O-])cccc21 ZINC000683632888 543930881 /nfs/dbraw/zinc/93/08/81/543930881.db2.gz JQQUOFXNRYVHJP-SECBINFHSA-N -1 3 274.345 3.003 20 0 CGADHM O=C(N[C@H](CC1CC1)c1ccccc1)c1csc(=O)[n-]1 ZINC000684286368 543979082 /nfs/dbraw/zinc/97/90/82/543979082.db2.gz KGSNNQMZDBNZTQ-GFCCVEGCSA-N -1 3 288.372 3.120 20 0 CGADHM CC1(CN2CCC(C(=O)c3ccc([O-])cc3)CC2)CC1 ZINC000683825199 543945118 /nfs/dbraw/zinc/94/51/18/543945118.db2.gz XYCWNKAHPRVREQ-UHFFFAOYSA-N -1 3 273.376 3.087 20 0 CGADHM CCC[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000684656644 544023290 /nfs/dbraw/zinc/02/32/90/544023290.db2.gz LJWMQACOQYJTON-QMMMGPOBSA-N -1 3 296.219 3.460 20 0 CGADHM CCc1oc(C(=O)Nc2cc(F)ccc2[O-])cc1C ZINC000133746564 287429118 /nfs/dbraw/zinc/42/91/18/287429118.db2.gz JEMZXBZFDJAASD-UHFFFAOYSA-N -1 3 263.268 3.247 20 0 CGADHM COc1ccc(Cl)c(CN(CCC(=O)[O-])CC2CC2)c1 ZINC000652467435 418970887 /nfs/dbraw/zinc/97/08/87/418970887.db2.gz XNBFSHAKEWDNPI-UHFFFAOYSA-N -1 3 297.782 3.035 20 0 CGADHM CC[C@@H](C)CN(CCC(=O)[O-])Cc1cccc(F)c1F ZINC000652483715 418974532 /nfs/dbraw/zinc/97/45/32/418974532.db2.gz CMCTYPYIXSPSKB-LLVKDONJSA-N -1 3 285.334 3.288 20 0 CGADHM C[C@@H](NC(=O)c1ccccc1[O-])C1CCC(F)(F)CC1 ZINC000654255161 418946546 /nfs/dbraw/zinc/94/65/46/418946546.db2.gz NMMGUKAVAZPVHU-SNVBAGLBSA-N -1 3 283.318 3.336 20 0 CGADHM Cc1c2ccccc2nc(CN2CCC[C@@H](C)C2)c1C(=O)[O-] ZINC000652366684 418958169 /nfs/dbraw/zinc/95/81/69/418958169.db2.gz ITCRONWUONXQBC-GFCCVEGCSA-N -1 3 298.386 3.473 20 0 CGADHM CN(Cc1ccc(C(=O)[O-])o1)[C@@H]1CCc2ccccc21 ZINC000652385492 418959004 /nfs/dbraw/zinc/95/90/04/418959004.db2.gz WDVVRRSFXGRQLQ-CQSZACIVSA-N -1 3 271.316 3.097 20 0 CGADHM CCOC1CCN(Cc2c(Cl)cccc2C(=O)[O-])CC1 ZINC000652394294 418961621 /nfs/dbraw/zinc/96/16/21/418961621.db2.gz VVURSTBGGRNANB-UHFFFAOYSA-N -1 3 297.782 3.039 20 0 CGADHM CCCO[C@@H]1CCCN([C@@H](C)c2ccc(C(=O)[O-])o2)CC1 ZINC000652411235 418965018 /nfs/dbraw/zinc/96/50/18/418965018.db2.gz SEZOISVFBPZSHI-QWHCGFSZSA-N -1 3 295.379 3.320 20 0 CGADHM O=C(CCC1CCCCCC1)NCc1ncccc1[O-] ZINC000655041340 419017888 /nfs/dbraw/zinc/01/78/88/419017888.db2.gz IGJLSTGZHCJAIQ-UHFFFAOYSA-N -1 3 276.380 3.154 20 0 CGADHM O=C(Nc1c([O-])cccc1Cl)C1CC(F)(F)C1 ZINC000655110292 419021978 /nfs/dbraw/zinc/02/19/78/419021978.db2.gz CJJLWUWQYVDDPG-UHFFFAOYSA-N -1 3 261.655 3.029 20 0 CGADHM CC(F)(F)CCC(=O)Nc1c([O-])cccc1Cl ZINC000655110786 419022284 /nfs/dbraw/zinc/02/22/84/419022284.db2.gz OPQFTRWLCUQCBJ-UHFFFAOYSA-N -1 3 263.671 3.420 20 0 CGADHM O=C(Nc1c([O-])cccc1Cl)[C@@]12C[C@@H]1CCC2 ZINC000655110290 419022312 /nfs/dbraw/zinc/02/23/12/419022312.db2.gz CFDOJBHEGMKABT-SDBXPKJASA-N -1 3 251.713 3.174 20 0 CGADHM CCc1cc(C(=O)N[C@H](CC)[C@@H]2CCCCO2)ccc1[O-] ZINC000655350015 419042067 /nfs/dbraw/zinc/04/20/67/419042067.db2.gz WJQPQKFGTJYEDM-ZBFHGGJFSA-N -1 3 291.391 3.032 20 0 CGADHM O=C([O-])c1cccc(CN2CC[C@@H](Oc3ccccc3)C2)c1 ZINC000659801926 418994538 /nfs/dbraw/zinc/99/45/38/418994538.db2.gz MZQARMIZLLKFET-QGZVFWFLSA-N -1 3 297.354 3.038 20 0 CGADHM O=C([O-])c1ccc(CN2CC[C@@H](Oc3ccccc3)C2)cc1 ZINC000659801196 418995460 /nfs/dbraw/zinc/99/54/60/418995460.db2.gz BICXLYGAKONFPU-QGZVFWFLSA-N -1 3 297.354 3.038 20 0 CGADHM CC(C)(C)n1ccc(C(=O)Nc2cc(Cl)ccc2[O-])n1 ZINC000654935652 419010724 /nfs/dbraw/zinc/01/07/24/419010724.db2.gz MKWRZUQBGQLKPA-UHFFFAOYSA-N -1 3 293.754 3.249 20 0 CGADHM O=c1nc(CN2CC[C@H](C3CCC3)C2)[n-]c2ccsc21 ZINC000665288824 419107250 /nfs/dbraw/zinc/10/72/50/419107250.db2.gz YUUUVXFZPUTLGP-NSHDSACASA-N -1 3 289.404 3.019 20 0 CGADHM Cc1cc(F)c(CNC[C@H](C(=O)[O-])C2CCC2)c(Cl)c1 ZINC000665358868 419117049 /nfs/dbraw/zinc/11/70/49/419117049.db2.gz RQHPWDCZDNKIJT-NSHDSACASA-N -1 3 299.773 3.378 20 0 CGADHM CCc1cccc(-c2nc(-c3nc(C)c(C)[nH]3)no2)c1[O-] ZINC000665091131 419052905 /nfs/dbraw/zinc/05/29/05/419052905.db2.gz ZELTYDZEXRBAQG-UHFFFAOYSA-N -1 3 284.319 3.012 20 0 CGADHM CCc1cccc(CNC(C)(C)c2nc(C)cc(=O)[n-]2)c1 ZINC000660752026 419189812 /nfs/dbraw/zinc/18/98/12/419189812.db2.gz QUUZNRMAYHPRKU-UHFFFAOYSA-N -1 3 285.391 3.078 20 0 CGADHM CC[C@H]1CCCN(C(=O)c2cc(SC)ccc2[O-])C1 ZINC000666301907 419206687 /nfs/dbraw/zinc/20/66/87/419206687.db2.gz CHJKDXGIDXXYRE-NSHDSACASA-N -1 3 279.405 3.376 20 0 CGADHM CC[C@H](C)N(CC(=O)[O-])Cc1cccc(OC)c1Cl ZINC000656756936 419209241 /nfs/dbraw/zinc/20/92/41/419209241.db2.gz OWNKWQJMPVKHQJ-JTQLQIEISA-N -1 3 285.771 3.034 20 0 CGADHM Cc1oc(CN2CCC(C3CCC3)CC2)cc1C(=O)[O-] ZINC000656757864 419210576 /nfs/dbraw/zinc/21/05/76/419210576.db2.gz BNOCMWRDCCWJSR-UHFFFAOYSA-N -1 3 277.364 3.298 20 0 CGADHM O=C([O-])c1cccc(CN2CCC(c3ccco3)CC2)c1 ZINC000656757761 419211576 /nfs/dbraw/zinc/21/15/76/419211576.db2.gz RVXBUAFZODFLRX-UHFFFAOYSA-N -1 3 285.343 3.357 20 0 CGADHM O=C([O-])c1cc(F)ccc1CN1CCC[C@H](CCF)C1 ZINC000656762320 419212563 /nfs/dbraw/zinc/21/25/63/419212563.db2.gz CMCCLPOCZDTMCQ-LLVKDONJSA-N -1 3 283.318 3.096 20 0 CGADHM CC(C)(C)OCCCN1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@H]21 ZINC000656767514 419213205 /nfs/dbraw/zinc/21/32/05/419213205.db2.gz RZEMSWIYQBYWIB-SOUVJXGZSA-N -1 3 297.439 3.157 20 0 CGADHM CC[C@H](COCC1CC1)NCc1cccc([O-])c1Cl ZINC000657564074 419305785 /nfs/dbraw/zinc/30/57/85/419305785.db2.gz YMMYCBVLSHCBEL-CYBMUJFWSA-N -1 3 283.799 3.340 20 0 CGADHM Cc1ccc([O-])c(CNCC(F)(F)c2cccc(F)c2)n1 ZINC000657584067 419309596 /nfs/dbraw/zinc/30/95/96/419309596.db2.gz MLYGVVWQUTVXMW-UHFFFAOYSA-N -1 3 296.292 3.116 20 0 CGADHM Cc1ccc([O-])c(C(=O)N[C@H]2CCOc3c(C)cccc32)c1 ZINC000355948923 228063260 /nfs/dbraw/zinc/06/32/60/228063260.db2.gz MEJCGQOOQXCQSW-HNNXBMFYSA-N -1 3 297.354 3.263 20 0 CGADHM Cc1ccc2nccc(N3C[C@H](C(=O)[O-])CC[C@@H]3C)c2c1 ZINC000662893277 419502894 /nfs/dbraw/zinc/50/28/94/419502894.db2.gz JXNSDAHPVVFZGW-QWHCGFSZSA-N -1 3 284.359 3.233 20 0 CGADHM CN(CCCOc1ccc2c([O-])coc2c1)c1ccccc1 ZINC000664137328 419838536 /nfs/dbraw/zinc/83/85/36/419838536.db2.gz ZNOUSBVFRVAVMT-UHFFFAOYSA-N -1 3 297.354 3.167 20 0 CGADHM CC[C@H]1CCCN(C(=O)c2ccc([O-])c(C)c2)CC1 ZINC000227031132 287636885 /nfs/dbraw/zinc/63/68/85/287636885.db2.gz GDNMFYADXIPWQL-ZDUSSCGKSA-N -1 3 261.365 3.353 20 0 CGADHM CC(C)[C@@H]1C[C@@H]1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000185387643 270062551 /nfs/dbraw/zinc/06/25/51/270062551.db2.gz RNUPYZCULKCFMG-UWVGGRQHSA-N -1 3 253.729 3.276 20 0 CGADHM CC(C)[C@H]1C[C@H]1C(=O)Nc1cc(Br)ccc1[O-] ZINC000185623150 270063643 /nfs/dbraw/zinc/06/36/43/270063643.db2.gz PTLYUURKQZWWJM-NXEZZACHSA-N -1 3 298.180 3.385 20 0 CGADHM CC(=O)c1c[nH]c(C(=O)N2CC[C@@H](C)c3cccc([O-])c32)c1 ZINC000186254794 270065517 /nfs/dbraw/zinc/06/55/17/270065517.db2.gz DEYQDGJFRZATED-SNVBAGLBSA-N -1 3 298.342 3.077 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)[C@@H](C)OCC(C)C)c1[O-] ZINC000522632509 270106765 /nfs/dbraw/zinc/10/67/65/270106765.db2.gz BLRZHWFCNLFKNE-SNVBAGLBSA-N -1 3 285.771 3.354 20 0 CGADHM COc1ccc([O-])c(C(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)c1 ZINC000525258350 270118462 /nfs/dbraw/zinc/11/84/62/270118462.db2.gz WPDUUBXTLSESPG-RWMBFGLXSA-N -1 3 289.375 3.099 20 0 CGADHM CC[C@H](C)N(C)C(=O)c1cc([O-])cc(Br)c1 ZINC000528324726 270161080 /nfs/dbraw/zinc/16/10/80/270161080.db2.gz BVJVXYLZXURUOY-QMMMGPOBSA-N -1 3 286.169 3.025 20 0 CGADHM CCC1(NC(=O)c2cc([O-])cc(Br)c2)CCC1 ZINC000528768488 270172122 /nfs/dbraw/zinc/17/21/22/270172122.db2.gz LHDCDWSSYMQZIP-UHFFFAOYSA-N -1 3 298.180 3.217 20 0 CGADHM CC1(C)CCc2cccc(NC([O-])=NOC3CCC3)c2O1 ZINC000529295024 270179778 /nfs/dbraw/zinc/17/97/78/270179778.db2.gz AWUKDQNZTZLGNY-UHFFFAOYSA-N -1 3 290.363 3.396 20 0 CGADHM CC1(C)CCc2cccc(NC(=O)[N-]OC3CCC3)c2O1 ZINC000529295024 270179779 /nfs/dbraw/zinc/17/97/79/270179779.db2.gz AWUKDQNZTZLGNY-UHFFFAOYSA-N -1 3 290.363 3.396 20 0 CGADHM COc1ccc(CN[C@@H](C)[C@H](C(=O)[O-])C(C)C)c(Cl)c1 ZINC000424612541 533688014 /nfs/dbraw/zinc/68/80/14/533688014.db2.gz AGLGGPQBECBDFW-IINYFYTJSA-N -1 3 299.798 3.184 20 0 CGADHM CC[C@H](C)[C@@H]1CCCCN1C(=O)c1cccc([O-])c1 ZINC000357298111 287685932 /nfs/dbraw/zinc/68/59/32/287685932.db2.gz ZFPSXOHDMLPEAH-WFASDCNBSA-N -1 3 261.365 3.433 20 0 CGADHM CCS[C@@H]1CCCC[C@@H]1N[C@H](C)c1nc(C)cc(=O)[n-]1 ZINC000248730244 287781145 /nfs/dbraw/zinc/78/11/45/287781145.db2.gz JERUKQSOVCXJKN-FRRDWIJNSA-N -1 3 295.452 3.206 20 0 CGADHM CC(C)c1scnc1[N-]C(=O)c1ocnc1C1CC1 ZINC000288857540 276080863 /nfs/dbraw/zinc/08/08/63/276080863.db2.gz AQPKRVAEVPEKPU-UHFFFAOYSA-N -1 3 277.349 3.384 20 0 CGADHM CC(C)n1cc(C(=O)N2CC[C@H](C)c3cccc([O-])c32)cn1 ZINC000276174004 276083170 /nfs/dbraw/zinc/08/31/70/276083170.db2.gz FRWHEZMJAICTRX-LBPRGKRZSA-N -1 3 299.374 3.324 20 0 CGADHM CC1(C)CCC(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000156553594 276101002 /nfs/dbraw/zinc/10/10/02/276101002.db2.gz NTRRIMFHZXVEMC-UHFFFAOYSA-N -1 3 299.378 3.022 20 0 CGADHM CC1(C)CCC(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000156553594 276101003 /nfs/dbraw/zinc/10/10/03/276101003.db2.gz NTRRIMFHZXVEMC-UHFFFAOYSA-N -1 3 299.378 3.022 20 0 CGADHM CC1(C)CN(C(=O)c2cccc([O-])c2)Cc2ccccc2O1 ZINC000426470191 276129535 /nfs/dbraw/zinc/12/95/35/276129535.db2.gz JYXSEJPNIGJYLO-UHFFFAOYSA-N -1 3 297.354 3.206 20 0 CGADHM CC1(C)C[C@@H](NC(=O)c2ccc(O)cc2[O-])c2ccccc21 ZINC000436631893 276142591 /nfs/dbraw/zinc/14/25/91/276142591.db2.gz XNXLHTPKHLQWAH-OAHLLOKOSA-N -1 3 297.354 3.250 20 0 CGADHM Cc1cccc(C(=O)NCCc2cccc(Cl)c2)c1[O-] ZINC000301749583 287930477 /nfs/dbraw/zinc/93/04/77/287930477.db2.gz NKEYLMYPHHBUDZ-UHFFFAOYSA-N -1 3 289.762 3.327 20 0 CGADHM C[C@@H]1CC[C@@H](NC(=O)c2cc([O-])ccc2C(F)(F)F)C1 ZINC000334820273 277779850 /nfs/dbraw/zinc/77/98/50/277779850.db2.gz SDKHNGHIENNAFL-RKDXNWHRSA-N -1 3 287.281 3.329 20 0 CGADHM CC(C)c1ccc(C(=O)N(C)[C@@H]2CCSC2)c([O-])c1 ZINC000271431369 278021702 /nfs/dbraw/zinc/02/17/02/278021702.db2.gz OSLOGMADZZIPJD-GFCCVEGCSA-N -1 3 279.405 3.093 20 0 CGADHM C[C@@H]1[C@@H](C(F)(F)F)CCN1Cc1cc([O-])cc(F)c1 ZINC000355227923 279077894 /nfs/dbraw/zinc/07/78/94/279077894.db2.gz WJKDODUWFBVWOH-PELKAZGASA-N -1 3 277.261 3.304 20 0 CGADHM C[C@@H]1c2ccc(F)cc2C[C@H](C)N1Cc1ncccc1[O-] ZINC000515495198 279131701 /nfs/dbraw/zinc/13/17/01/279131701.db2.gz FWLOIKADFMDNLI-NWDGAFQWSA-N -1 3 286.350 3.434 20 0 CGADHM Cc1ccc(F)c([N-]S(=O)(=O)CCC(C)(C)C)c1 ZINC000481461839 288110983 /nfs/dbraw/zinc/11/09/83/288110983.db2.gz BRTBYGIWZZAPEF-UHFFFAOYSA-N -1 3 273.373 3.312 20 0 CGADHM CCCCn1c(=O)[n-]nc1SCCC1CCCC1 ZINC000520672618 288135527 /nfs/dbraw/zinc/13/55/27/288135527.db2.gz VEGJHEHIWYZYCZ-UHFFFAOYSA-N -1 3 269.414 3.456 20 0 CGADHM CCc1ccc(C(=O)N(Cc2ccccn2)C(C)C)c([O-])c1 ZINC000527039180 288155518 /nfs/dbraw/zinc/15/55/18/288155518.db2.gz ASDGYVQQTVQKGQ-UHFFFAOYSA-N -1 3 298.386 3.400 20 0 CGADHM CCC(CC)NC(=O)c1cc([O-])cc(Br)c1 ZINC000527649516 288182384 /nfs/dbraw/zinc/18/23/84/288182384.db2.gz OAUNKHNANGLSAV-UHFFFAOYSA-N -1 3 286.169 3.073 20 0 CGADHM O=C([O-])CCN1Cc2ccccc2-c2ccccc2C1 ZINC000238165994 280070598 /nfs/dbraw/zinc/07/05/98/280070598.db2.gz HYGKEGYSSOTKRS-UHFFFAOYSA-N -1 3 267.328 3.144 20 0 CGADHM O=C(c1cc(F)ccc1F)N1CCCc2cccc([O-])c21 ZINC000063063830 280166417 /nfs/dbraw/zinc/16/64/17/280166417.db2.gz IXOXVNKDNPFOES-UHFFFAOYSA-N -1 3 289.281 3.263 20 0 CGADHM Cc1cc(C)c([C@H](C)NCc2cnc(C)[n-]c2=O)cc1C ZINC000346812413 280397281 /nfs/dbraw/zinc/39/72/81/280397281.db2.gz WSLSYYYFVTXLBO-ZDUSSCGKSA-N -1 3 285.391 3.267 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CCC(F)(F)C[C@@H]2C)c1 ZINC000530011261 288284374 /nfs/dbraw/zinc/28/43/74/288284374.db2.gz LZWZIPAUJSWGLA-JTQLQIEISA-N -1 3 283.318 3.214 20 0 CGADHM CC[C@H]1C[C@@H](C)CN1C(=O)c1c[n-]c2c(C)cccc2c1=O ZINC000408348783 281225892 /nfs/dbraw/zinc/22/58/92/281225892.db2.gz KGXMEQVSTQIEEY-YPMHNXCESA-N -1 3 298.386 3.097 20 0 CGADHM CCc1cccc(C(=O)Nc2ccc(C)cc2O)c1[O-] ZINC000530959869 288321142 /nfs/dbraw/zinc/32/11/42/288321142.db2.gz SJEAKCBAYQTASL-UHFFFAOYSA-N -1 3 271.316 3.221 20 0 CGADHM CCc1ccc(C(=O)N2CC[C@@H](C)C(C)(C)C2)c([O-])c1 ZINC000436837359 281397279 /nfs/dbraw/zinc/39/72/79/281397279.db2.gz GHAAHBHIUXVLAS-GFCCVEGCSA-N -1 3 275.392 3.463 20 0 CGADHM CCc1ccc(C(=O)N2CC[C@H](C)C(C)(C)C2)c([O-])c1 ZINC000436837360 281397963 /nfs/dbraw/zinc/39/79/63/281397963.db2.gz GHAAHBHIUXVLAS-LBPRGKRZSA-N -1 3 275.392 3.463 20 0 CGADHM CCc1ccc(C(=O)N2[C@H](C)CC[C@@H]2CC)c([O-])c1 ZINC000436841528 281399705 /nfs/dbraw/zinc/39/97/05/281399705.db2.gz AZXOIXILKAMCKS-YPMHNXCESA-N -1 3 261.365 3.358 20 0 CGADHM CCc1cccc(Cl)c1CN[C@H](CC(F)F)C(=O)[O-] ZINC000417589046 281438643 /nfs/dbraw/zinc/43/86/43/281438643.db2.gz GCROZODULYOUOY-LLVKDONJSA-N -1 3 291.725 3.100 20 0 CGADHM C[C@@H]1CCN(C(=O)c2ccccc2[O-])[C@@H]2CCCC[C@H]12 ZINC000536692054 288497444 /nfs/dbraw/zinc/49/74/44/288497444.db2.gz KBUUURJYJZZRES-UMVBOHGHSA-N -1 3 273.376 3.433 20 0 CGADHM CCc1ccc(C(=O)N2C[C@H](C)CC(C)(C)C2)c([O-])c1 ZINC000436838833 288533707 /nfs/dbraw/zinc/53/37/07/288533707.db2.gz MBLQCHQAXYWBSW-GFCCVEGCSA-N -1 3 275.392 3.463 20 0 CGADHM CCc1cccc(C(=O)N2CCCC[C@H]2CC)c1[O-] ZINC000537649886 288541842 /nfs/dbraw/zinc/54/18/42/288541842.db2.gz LSUONWMYHHNRKC-CYBMUJFWSA-N -1 3 261.365 3.359 20 0 CGADHM CCCC[C@H](CCC)[N-]S(=O)(=O)c1ccc(C)o1 ZINC000539116891 288605293 /nfs/dbraw/zinc/60/52/93/288605293.db2.gz JITIZSCJPGGNTQ-LBPRGKRZSA-N -1 3 273.398 3.225 20 0 CGADHM Cc1cccc2c1CC[C@H]2NC(=O)c1ccc([O-])c(C)c1 ZINC000542784204 288771516 /nfs/dbraw/zinc/77/15/16/288771516.db2.gz MMZRHPRVPLMHPW-MRXNPFEDSA-N -1 3 281.355 3.426 20 0 CGADHM CCc1cccc(C(=O)N2CC[C@@H](C)[C@@H]2CC)c1[O-] ZINC000547820034 288978237 /nfs/dbraw/zinc/97/82/37/288978237.db2.gz UWJDJAWVCNLHNF-RISCZKNCSA-N -1 3 261.365 3.215 20 0 CGADHM CCc1cccc(C(=O)NCC(C)(C)C(F)(F)F)c1[O-] ZINC000549120057 289035518 /nfs/dbraw/zinc/03/55/18/289035518.db2.gz PUXXBWGNWUAFNY-UHFFFAOYSA-N -1 3 289.297 3.273 20 0 CGADHM CCc1cccc(C(=O)N2CCc3cc(F)ccc32)c1[O-] ZINC000549174436 289036885 /nfs/dbraw/zinc/03/68/85/289036885.db2.gz OYQKDWGFNLPXJS-UHFFFAOYSA-N -1 3 285.318 3.297 20 0 CGADHM CC(=O)c1cccc(NC(=O)[C@@H]2CCC[C@@H](C)C2)c1[O-] ZINC000552285740 289179027 /nfs/dbraw/zinc/17/90/27/289179027.db2.gz AYJJHVYGWBGPOQ-ZYHUDNBSSA-N -1 3 275.348 3.360 20 0 CGADHM C[C@H](C(=O)Nc1c([O-])cccc1Cl)N1CCCCCC1 ZINC000552431321 289188879 /nfs/dbraw/zinc/18/88/79/289188879.db2.gz DYYVGZVSINIQIM-LLVKDONJSA-N -1 3 296.798 3.249 20 0 CGADHM CCc1cc(C(=O)NCC2(OC)CCCCC2)ccc1[O-] ZINC000553221797 289213440 /nfs/dbraw/zinc/21/34/40/289213440.db2.gz QOWUEDWMEYEKKU-UHFFFAOYSA-N -1 3 291.391 3.034 20 0 CGADHM CCCC[C@@H](CC)CC(=O)N=c1cc2ccccn2[n-]1 ZINC000553324035 289219239 /nfs/dbraw/zinc/21/92/39/289219239.db2.gz CXYONYFJJPSGPF-CYBMUJFWSA-N -1 3 273.380 3.301 20 0 CGADHM CC(C)C(C)(C)[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000556502723 289395437 /nfs/dbraw/zinc/39/54/37/289395437.db2.gz GXQVKAJRNJOUTN-UHFFFAOYSA-N -1 3 293.791 3.192 20 0 CGADHM COc1cccc(C(=O)Nc2c([O-])cccc2Cl)c1O ZINC000560820519 289617134 /nfs/dbraw/zinc/61/71/34/289617134.db2.gz VRIPVMGJZFSCHY-UHFFFAOYSA-N -1 3 293.706 3.012 20 0 CGADHM CSCCCC(=O)Nc1c([O-])cccc1Cl ZINC000560820882 289617166 /nfs/dbraw/zinc/61/71/66/289617166.db2.gz XESBIOWVHOJYDZ-UHFFFAOYSA-N -1 3 259.758 3.127 20 0 CGADHM CC(C)c1cc(C(=O)Nc2c([O-])cccc2Cl)on1 ZINC000560822788 289617668 /nfs/dbraw/zinc/61/76/68/289617668.db2.gz GDUMDSOCJIMBGO-UHFFFAOYSA-N -1 3 280.711 3.409 20 0 CGADHM Cc1cc(C)c(-c2cc(=NC(=O)C3CC=CC3)[nH][n-]2)cc1C ZINC000562149407 289679495 /nfs/dbraw/zinc/67/94/95/289679495.db2.gz FHPUFFKWTHAWIO-UHFFFAOYSA-N -1 3 295.386 3.329 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N[C@H](C)[C@@H](C)c2ccccc2)n1 ZINC000192768618 301374444 /nfs/dbraw/zinc/37/44/44/301374444.db2.gz UEFNHNCPEURUBY-MCIONIFRSA-N -1 3 285.391 3.333 20 0 CGADHM Cc1ccc(C(=O)N2C[C@H](C)[C@H](C)[C@@H]2C)c([O-])c1C ZINC000416324310 301521775 /nfs/dbraw/zinc/52/17/75/301521775.db2.gz WRAKMPGLYKIOAI-GVXVVHGQSA-N -1 3 261.365 3.126 20 0 CGADHM Cc1ccc2nccc(N3C[C@@H](C)C[C@H](C(=O)[O-])C3)c2c1 ZINC000422557708 301931132 /nfs/dbraw/zinc/93/11/32/301931132.db2.gz LDPAKTWRPMREJM-STQMWFEESA-N -1 3 284.359 3.090 20 0 CGADHM CCc1cccc(C(=O)NC[C@H]2CCC(F)(F)C2)c1[O-] ZINC000564280244 322024992 /nfs/dbraw/zinc/02/49/92/322024992.db2.gz ORXBJZCYQIKUDV-JTQLQIEISA-N -1 3 283.318 3.120 20 0 CGADHM CC(C)CCC1CCN(Cc2ncccc2[O-])CC1 ZINC000564299243 322025898 /nfs/dbraw/zinc/02/58/98/322025898.db2.gz SNVGMKFRVHSQRT-UHFFFAOYSA-N -1 3 262.397 3.435 20 0 CGADHM CCOC1(C)CCN([C@H](C)c2cc(C)c(C(=O)[O-])o2)CC1 ZINC000564739165 322041506 /nfs/dbraw/zinc/04/15/06/322041506.db2.gz CTNLRLJIBHEVJQ-GFCCVEGCSA-N -1 3 295.379 3.238 20 0 CGADHM Cc1csc(CSCc2cc(=O)[n-]c(C3CC3)n2)n1 ZINC000566058621 322102055 /nfs/dbraw/zinc/10/20/55/322102055.db2.gz OCAJSEKPTYSZBF-UHFFFAOYSA-N -1 3 293.417 3.258 20 0 CGADHM CC[C@]1(C(C)C)C[C@@H]1NC(=O)c1c[n-]nc1-c1ccccn1 ZINC000567021688 322147279 /nfs/dbraw/zinc/14/72/79/322147279.db2.gz YXSISKWYVXBWEK-WMLDXEAASA-N -1 3 298.390 3.026 20 0 CGADHM CN(CCCCc1ccccc1)Cc1cc(C(=O)[O-])co1 ZINC000568060992 322190532 /nfs/dbraw/zinc/19/05/32/322190532.db2.gz VYDZKEUBSZQBHV-UHFFFAOYSA-N -1 3 287.359 3.433 20 0 CGADHM CN(CCC1CCCCC1)Cc1cc(C(=O)[O-])co1 ZINC000568060957 322190587 /nfs/dbraw/zinc/19/05/87/322190587.db2.gz VCLNKKCTKFKRTP-UHFFFAOYSA-N -1 3 265.353 3.380 20 0 CGADHM Cc1ccncc1CN(Cc1ccccc1)C[C@H](C)C(=O)[O-] ZINC000568281422 322203165 /nfs/dbraw/zinc/20/31/65/322203165.db2.gz KCMQHQWDVCEZFU-HNNXBMFYSA-N -1 3 298.386 3.113 20 0 CGADHM CCN(CCc1ccccc1)Cc1ccc(C(=O)[O-])o1 ZINC000568520712 322212312 /nfs/dbraw/zinc/21/23/12/322212312.db2.gz MOAGEWSXYSZBQW-UHFFFAOYSA-N -1 3 273.332 3.042 20 0 CGADHM CC1CCN(CCOc2ccc(C(=O)[O-])cc2Cl)CC1 ZINC000568891373 322226854 /nfs/dbraw/zinc/22/68/54/322226854.db2.gz UZQMMTPHUBZUJK-UHFFFAOYSA-N -1 3 297.782 3.149 20 0 CGADHM CCc1cccc(-c2nc([C@@](C)(CC)OC)no2)c1[O-] ZINC000569175012 322237595 /nfs/dbraw/zinc/23/75/95/322237595.db2.gz GZSFLPMNOUUTIU-OAHLLOKOSA-N -1 3 276.336 3.276 20 0 CGADHM CC1([C@H](NCc2ccc(F)cc2F)C(=O)[O-])CCCCC1 ZINC000569563545 322250506 /nfs/dbraw/zinc/25/05/06/322250506.db2.gz PLAHOQJGMDISAU-CQSZACIVSA-N -1 3 297.345 3.478 20 0 CGADHM COc1cc(C(=O)NCC2(C3CCC3)CCC2)ccc1[O-] ZINC000569803676 322257397 /nfs/dbraw/zinc/25/73/97/322257397.db2.gz VEAPYOQUBPHQRG-UHFFFAOYSA-N -1 3 289.375 3.101 20 0 CGADHM CC1(C)CC[C@H](CSCc2cc(=O)[n-]c(C3CC3)n2)O1 ZINC000571746545 322306740 /nfs/dbraw/zinc/30/67/40/322306740.db2.gz ZNENBQLFEGYWAM-GFCCVEGCSA-N -1 3 294.420 3.250 20 0 CGADHM Cc1ccc(CN([C@@H](C)C(=O)[O-])C2CCC2)c(Cl)c1 ZINC000572857117 322358517 /nfs/dbraw/zinc/35/85/17/322358517.db2.gz NPHUXVXFSSWGLC-NSHDSACASA-N -1 3 281.783 3.476 20 0 CGADHM O=C(Nc1c([O-])cccc1Cl)c1cccs1 ZINC000573588590 322396125 /nfs/dbraw/zinc/39/61/25/322396125.db2.gz KMBCHAQASQQKSF-UHFFFAOYSA-N -1 3 253.710 3.359 20 0 CGADHM CC(C)(C)c1ccc(NC(=O)c2cn3c(n2)CCC3)c([O-])c1 ZINC000574043310 322420941 /nfs/dbraw/zinc/42/09/41/322420941.db2.gz VXUOEZWCHBRQCX-UHFFFAOYSA-N -1 3 299.374 3.085 20 0 CGADHM CCC(C)(C)[C@@H](NCc1cc(Cl)ccc1F)C(=O)[O-] ZINC000574158727 322426497 /nfs/dbraw/zinc/42/64/97/322426497.db2.gz SALBKHUHWCRNNC-LBPRGKRZSA-N -1 3 287.762 3.458 20 0 CGADHM O=C(Nc1cccc([O-])c1F)c1cccc2ccc(=O)[nH]c21 ZINC000574952304 322465075 /nfs/dbraw/zinc/46/50/75/322465075.db2.gz FSEQLOVVLSBUOD-UHFFFAOYSA-N -1 3 298.273 3.037 20 0 CGADHM CC(C)C1(C)CCN(Cc2ccc(C(=O)[O-])o2)CC1 ZINC000582970285 329296388 /nfs/dbraw/zinc/29/63/88/329296388.db2.gz MIZCWJJUIYWJTC-UHFFFAOYSA-N -1 3 265.353 3.236 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N2CC[C@](C)(c3ccccc3)C2)n1 ZINC000583243219 329392837 /nfs/dbraw/zinc/39/28/37/329392837.db2.gz FHDBJOCPUYLLHI-KSSFIOAISA-N -1 3 297.402 3.215 20 0 CGADHM CC(C)[C@@H]1CCCC[C@H]1NC(=O)c1ccc(O)cc1[O-] ZINC000221009276 333172077 /nfs/dbraw/zinc/17/20/77/333172077.db2.gz OTKJMIBBAZBJDJ-GXTWGEPZSA-N -1 3 277.364 3.042 20 0 CGADHM [O-]c1ccc(-c2noc(C[C@@H]3C=CCCC3)n2)cc1 ZINC000576073053 335149407 /nfs/dbraw/zinc/14/94/07/335149407.db2.gz HCBUHLFBSOZVKC-LLVKDONJSA-N -1 3 256.305 3.341 20 0 CGADHM CCCc1ncc(C(=O)Nc2cc(F)ccc2[O-])s1 ZINC000174872505 335168095 /nfs/dbraw/zinc/16/80/95/335168095.db2.gz NEMGEQNOUKZDOF-UHFFFAOYSA-N -1 3 280.324 3.193 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])c1cc(-c2ccccc2)[nH]n1 ZINC000174896824 335168971 /nfs/dbraw/zinc/16/89/71/335168971.db2.gz UVNUHUPVZNSOCV-UHFFFAOYSA-N -1 3 297.289 3.174 20 0 CGADHM CCOc1c(F)cccc1C(=O)Nc1ccc(C)cc1[O-] ZINC000175059439 335172100 /nfs/dbraw/zinc/17/21/00/335172100.db2.gz DSURLOJCFNYRTK-UHFFFAOYSA-N -1 3 289.306 3.491 20 0 CGADHM Cc1cc(Cl)c(C(=O)N=c2cc3ccccn3[n-]2)cc1C ZINC000576334788 335190693 /nfs/dbraw/zinc/19/06/93/335190693.db2.gz XIFNAQQDYLUSOO-UHFFFAOYSA-N -1 3 299.761 3.279 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)[C@H](C)C2CC2)c1[O-] ZINC000175838896 335207925 /nfs/dbraw/zinc/20/79/25/335207925.db2.gz ZRSOEGDDCACTIY-MRVPVSSYSA-N -1 3 253.729 3.339 20 0 CGADHM C[C@H]1CC[C@@H](C(=O)Nc2c([O-])cccc2Cl)C1 ZINC000576528660 335215866 /nfs/dbraw/zinc/21/58/66/335215866.db2.gz ANLXJYJWKVDBPE-DTWKUNHWSA-N -1 3 253.729 3.420 20 0 CGADHM O=C(C[C@@H]1CC[C@H]2C[C@H]21)Nc1c([O-])cccc1Cl ZINC000577123081 335304554 /nfs/dbraw/zinc/30/45/54/335304554.db2.gz BIJVLUVLLRMQON-LPEHRKFASA-N -1 3 265.740 3.420 20 0 CGADHM CCc1cc(C(=O)N2CCC[C@H]2c2ccccn2)ccc1[O-] ZINC000577161658 335312564 /nfs/dbraw/zinc/31/25/64/335312564.db2.gz ROYZOEKFGRTUSN-INIZCTEOSA-N -1 3 296.370 3.327 20 0 CGADHM CCN(Cc1c(F)cccc1F)[C@H](CC(C)C)C(=O)[O-] ZINC000577499886 335360113 /nfs/dbraw/zinc/36/01/13/335360113.db2.gz KMAWHLGPANUWGX-CQSZACIVSA-N -1 3 285.334 3.286 20 0 CGADHM CC(=O)c1cc(-c2nc(-c3ccc([O-])cc3)no2)cs1 ZINC000350566277 335514569 /nfs/dbraw/zinc/51/45/69/335514569.db2.gz NISNHOUULLQPBU-UHFFFAOYSA-N -1 3 286.312 3.373 20 0 CGADHM C[C@H]1CC(c2nc(-c3ccc([O-])cc3)no2)C[C@H](C)O1 ZINC000350576772 335515892 /nfs/dbraw/zinc/51/58/92/335515892.db2.gz INNCIEDVKCBFLY-UWVGGRQHSA-N -1 3 274.320 3.113 20 0 CGADHM [O-]c1ccc(-c2noc(-c3ccc(NC4CC4)nc3)n2)cc1 ZINC000350578285 335516002 /nfs/dbraw/zinc/51/60/02/335516002.db2.gz LYECXYPGZHDCJI-UHFFFAOYSA-N -1 3 294.314 3.079 20 0 CGADHM O=C1C[C@@H](c2nc(-c3ccc([O-])cc3)no2)c2ccccc21 ZINC000350586379 335517083 /nfs/dbraw/zinc/51/70/83/335517083.db2.gz VVWOJIVZXWJVMX-CQSZACIVSA-N -1 3 292.294 3.161 20 0 CGADHM Cc1ccc(CN[C@@H](CC(=O)[O-])c2ccncc2)cc1C ZINC000578668490 335662400 /nfs/dbraw/zinc/66/24/00/335662400.db2.gz FBVNZMHBYVTHCU-INIZCTEOSA-N -1 3 284.359 3.004 20 0 CGADHM CCc1cc(=O)[n-]c(CN[C@@H](CC)c2ccc(C)cc2)n1 ZINC000181683280 335778320 /nfs/dbraw/zinc/77/83/20/335778320.db2.gz BOYSSJCCFIKZEY-HNNXBMFYSA-N -1 3 285.391 3.294 20 0 CGADHM O=S(=O)(Cc1cccc(Cl)c1)c1cccc([O-])c1 ZINC000183989240 335914840 /nfs/dbraw/zinc/91/48/40/335914840.db2.gz KSXICFHMGYDLNI-UHFFFAOYSA-N -1 3 282.748 3.020 20 0 CGADHM CSc1cccc(C)c1[N-]C(=O)c1cc(C)no1 ZINC000184602425 335929644 /nfs/dbraw/zinc/92/96/44/335929644.db2.gz NXYFXLJANKWSIX-UHFFFAOYSA-N -1 3 262.334 3.266 20 0 CGADHM CC(C)[C@]1(C(=O)[O-])CCN(Cc2sccc2Cl)C1 ZINC000380716925 336019493 /nfs/dbraw/zinc/01/94/93/336019493.db2.gz DVSHEJMFMFCFCC-ZDUSSCGKSA-N -1 3 287.812 3.334 20 0 CGADHM C[C@H]1CCCN(Cc2csc(C(=O)[O-])c2)[C@H]1C ZINC000581553165 336101794 /nfs/dbraw/zinc/10/17/94/336101794.db2.gz FLYDCYWIZLJPTI-UWVGGRQHSA-N -1 3 253.367 3.067 20 0 CGADHM C[C@H](CCC(C)(C)C)c1nc(-c2cc(=O)[n-]cn2)no1 ZINC000581667283 336121226 /nfs/dbraw/zinc/12/12/26/336121226.db2.gz ZHWBQDDMXPFFDX-SECBINFHSA-N -1 3 276.340 3.162 20 0 CGADHM C[C@@H]1C[C@@H]1CNC(=O)CCc1ccc2ccccc2c1[O-] ZINC000448701679 533724271 /nfs/dbraw/zinc/72/42/71/533724271.db2.gz UBTSMRSWQLJHGO-IUODEOHRSA-N -1 3 283.371 3.250 20 0 CGADHM COC(=O)c1cc(C(=O)Nc2cccc(C3CCC3)c2)c[n-]1 ZINC000358006567 533746545 /nfs/dbraw/zinc/74/65/45/533746545.db2.gz QJSJAZDKRRPOJP-UHFFFAOYSA-N -1 3 298.342 3.321 20 0 CGADHM C[C@@H]1CCC[C@@H](N(C)C(=O)Cc2ccc([O-])c(F)c2)C1 ZINC000448666474 533759683 /nfs/dbraw/zinc/75/96/83/533759683.db2.gz GGJJCVKWYWHTTG-DGCLKSJQSA-N -1 3 279.355 3.111 20 0 CGADHM Cc1ccc(CNCC[C@H](Cc2ccccc2)C(=O)[O-])o1 ZINC000426664588 534058815 /nfs/dbraw/zinc/05/88/15/534058815.db2.gz SBOBXIJBGMXXPN-OAHLLOKOSA-N -1 3 287.359 3.011 20 0 CGADHM COc1ccc([O-])c(C(=O)N(C)[C@H]2CCC(C)(C)C2)c1 ZINC000358069598 534194812 /nfs/dbraw/zinc/19/48/12/534194812.db2.gz YBPLIDZODZUEQK-NSHDSACASA-N -1 3 277.364 3.052 20 0 CGADHM C[C@@H]1CC[C@@](CNCc2cc(F)ccc2F)(CC(=O)[O-])C1 ZINC000426638316 534203694 /nfs/dbraw/zinc/20/36/94/534203694.db2.gz PUQFMYOXDLKKGE-BZNIZROVSA-N -1 3 297.345 3.336 20 0 CGADHM Cc1ccc(-c2nc(-c3cccnc3C)no2)c([O-])c1C ZINC000436886966 534205135 /nfs/dbraw/zinc/20/51/35/534205135.db2.gz VNEPMZBKMYZGQC-UHFFFAOYSA-N -1 3 281.315 3.429 20 0 CGADHM Cc1ccc(C(=O)NCCc2cc3ccccc3[nH]2)c([O-])c1 ZINC000436607703 534266516 /nfs/dbraw/zinc/26/65/16/534266516.db2.gz TVHQUAPVYBOKKF-UHFFFAOYSA-N -1 3 294.354 3.154 20 0 CGADHM C[C@H](C1CC1)N(C)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000345007565 534300031 /nfs/dbraw/zinc/30/00/31/534300031.db2.gz XLINDMIJFHNITD-LLVKDONJSA-N -1 3 279.355 3.111 20 0 CGADHM Cc1ccc2c(c1)CCN(C(=O)c1ccc([O-])c(C)c1)C2 ZINC000436994557 534409370 /nfs/dbraw/zinc/40/93/70/534409370.db2.gz NDPDSMLVJXJBDW-UHFFFAOYSA-N -1 3 281.355 3.208 20 0 CGADHM Cc1noc([N-]C(=O)[C@H](C)Oc2cccc(Cl)c2)c1C ZINC000359736050 534431900 /nfs/dbraw/zinc/43/19/00/534431900.db2.gz BXUUZVCTHJDZNO-JTQLQIEISA-N -1 3 294.738 3.351 20 0 CGADHM CC(C)OCCC(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000081458898 519756438 /nfs/dbraw/zinc/75/64/38/519756438.db2.gz SDCKOPFSMOHTPV-UHFFFAOYSA-N -1 3 291.269 3.165 20 0 CGADHM CC1(C)CCCC[C@@H]1NC(=O)NCc1ccc([O-])c(F)c1 ZINC000151811751 520313210 /nfs/dbraw/zinc/31/32/10/520313210.db2.gz ZTDNJQGEGJLOTD-AWEZNQCLSA-N -1 3 294.370 3.299 20 0 CGADHM O=C([O-])[C@@H](NCc1cc2ccc(F)cc2[nH]1)c1ccccc1 ZINC000426765959 534515483 /nfs/dbraw/zinc/51/54/83/534515483.db2.gz VAAJTBWKNFSWCD-INIZCTEOSA-N -1 3 298.317 3.223 20 0 CGADHM O=C([O-])c1cccc(CNC/C=C/c2ccccc2)c1 ZINC000426697202 534549573 /nfs/dbraw/zinc/54/95/73/534549573.db2.gz SNHZYFFXUCIWDY-WEVVVXLNSA-N -1 3 267.328 3.188 20 0 CGADHM CC(C)(C)CCO[N-]C(=O)/C=C\c1ccc(Cl)nc1 ZINC000493744331 534588842 /nfs/dbraw/zinc/58/88/42/534588842.db2.gz FZHILRYCUIHRKB-ALCCZGGFSA-N -1 3 282.771 3.232 20 0 CGADHM Cc1cccc(C(=O)NC[C@H](C)Cc2cccs2)c1[O-] ZINC000436584282 534608487 /nfs/dbraw/zinc/60/84/87/534608487.db2.gz LOANDMJEWXIYSI-LLVKDONJSA-N -1 3 289.400 3.371 20 0 CGADHM Cc1cccc(C(=O)Nc2ccc3ccn(C)c3c2)c1[O-] ZINC000436555515 534624290 /nfs/dbraw/zinc/62/42/90/534624290.db2.gz OOZATZWSFYLZNQ-UHFFFAOYSA-N -1 3 280.327 3.445 20 0 CGADHM O=C(NC[C@H](c1ccccc1)C1CC1)c1ccccc1[O-] ZINC000436838791 534627254 /nfs/dbraw/zinc/62/72/54/534627254.db2.gz LKUPUAPTOWHQEA-MRXNPFEDSA-N -1 3 281.355 3.316 20 0 CGADHM CCc1ncsc1C(=O)[N-]c1c(C)noc1C1CC1 ZINC000156721041 522621007 /nfs/dbraw/zinc/62/10/07/522621007.db2.gz FQMDYTZWHNASSV-UHFFFAOYSA-N -1 3 277.349 3.132 20 0 CGADHM Cc1cncc(-c2noc(-c3cccc(C)c3[O-])n2)c1 ZINC000436892056 534669054 /nfs/dbraw/zinc/66/90/54/534669054.db2.gz YYASEYCSBDPISH-UHFFFAOYSA-N -1 3 267.288 3.121 20 0 CGADHM CC[C@H]1CCCC[C@H]1NC(=O)c1c[n-]c2ccccc2c1=O ZINC000097106671 523058495 /nfs/dbraw/zinc/05/84/95/523058495.db2.gz BPHWILSPVMITEQ-SWLSCSKDSA-N -1 3 298.386 3.227 20 0 CGADHM Cc1ccc([O-])c(CN[C@@H](C)c2ccccc2C)n1 ZINC000103340716 525352630 /nfs/dbraw/zinc/35/26/30/525352630.db2.gz FYPBOSLIRCHISI-ZDUSSCGKSA-N -1 3 256.349 3.255 20 0 CGADHM CC(=O)c1cccc(NC(=O)C(C)(C)C2CCC2)c1[O-] ZINC000516295686 534890293 /nfs/dbraw/zinc/89/02/93/534890293.db2.gz XUUWDDNSHWJRDW-UHFFFAOYSA-N -1 3 275.348 3.360 20 0 CGADHM O=C(CCCc1nccs1)Nc1cc(Cl)ccc1[O-] ZINC000339354062 526468028 /nfs/dbraw/zinc/46/80/28/526468028.db2.gz FSZDMWPLHCOHHI-UHFFFAOYSA-N -1 3 296.779 3.464 20 0 CGADHM CC(=O)c1ccc(C(=O)N2CC[C@@H](C(C)(C)C)C2)cc1[O-] ZINC000412252491 527246582 /nfs/dbraw/zinc/24/65/82/527246582.db2.gz MFYFJPJDBRJSQO-CYBMUJFWSA-N -1 3 289.375 3.103 20 0 CGADHM CC(=O)c1ccc(C(=O)N[C@@H]2CCC[C@@H](C)CC2)cc1[O-] ZINC000412278333 527260808 /nfs/dbraw/zinc/26/08/08/527260808.db2.gz ONUSEGDRTKOYFW-BXUZGUMPSA-N -1 3 289.375 3.293 20 0 CGADHM CC(=O)c1ccc(C(=O)Nc2ccc(C)cc2C)cc1[O-] ZINC000436848349 527266822 /nfs/dbraw/zinc/26/68/22/527266822.db2.gz VFINKXLBEVRUKI-UHFFFAOYSA-N -1 3 283.327 3.464 20 0 CGADHM CC(C)(C)CC[C@H](NCc1cc(F)ccc1F)C(=O)[O-] ZINC000426745140 527677896 /nfs/dbraw/zinc/67/78/96/527677896.db2.gz ZFFWCWLGBHJOKY-ZDUSSCGKSA-N -1 3 285.334 3.334 20 0 CGADHM CC(C)[C@H]1CCCCN1C(=O)Cc1ccc([O-])c(F)c1 ZINC000449924121 527758112 /nfs/dbraw/zinc/75/81/12/527758112.db2.gz HFBVKYOREYRZFQ-CQSZACIVSA-N -1 3 279.355 3.111 20 0 CGADHM CC(C)[C@H]1CCCC[C@@H]1NC(=O)Cc1ccc([O-])c(F)c1 ZINC000448905098 527761159 /nfs/dbraw/zinc/76/11/59/527761159.db2.gz XVERFSSDMXPZIS-HIFRSBDPSA-N -1 3 293.382 3.405 20 0 CGADHM CC1([C@H](NCc2cc(F)ccc2F)C(=O)[O-])CCCCC1 ZINC000426733517 528054564 /nfs/dbraw/zinc/05/45/64/528054564.db2.gz YGEJXWYYMDDHGB-CQSZACIVSA-N -1 3 297.345 3.478 20 0 CGADHM CCO[C@H](CNC(=O)c1cc(C)ccc1[O-])c1ccccc1 ZINC000436702653 528057698 /nfs/dbraw/zinc/05/76/98/528057698.db2.gz BCUYDOOXOCXIQM-QGZVFWFLSA-N -1 3 299.370 3.208 20 0 CGADHM CC(C)c1ccc(C(=O)NC[C@@H](C)C(F)(F)F)c([O-])c1 ZINC000436956349 528070674 /nfs/dbraw/zinc/07/06/74/528070674.db2.gz MEOXSUXYDRJAAA-SECBINFHSA-N -1 3 289.297 3.444 20 0 CGADHM CC(C)c1ccc(C(=O)N[C@@H](C)[C@@H]2CCCCO2)c([O-])c1 ZINC000436878706 528075227 /nfs/dbraw/zinc/07/52/27/528075227.db2.gz HEODADUPVXKOIN-LRDDRELGSA-N -1 3 291.391 3.203 20 0 CGADHM CC(C)c1ccc(C(=O)N[C@H](C)Cc2ccncc2)c([O-])c1 ZINC000436573534 528077336 /nfs/dbraw/zinc/07/73/36/528077336.db2.gz IJYALHIBDUTYBJ-CYBMUJFWSA-N -1 3 298.386 3.272 20 0 CGADHM CC(C)COCCCN=c1[n-]c(C(F)(F)F)cs1 ZINC000359556329 528086307 /nfs/dbraw/zinc/08/63/07/528086307.db2.gz VMXAUICGHZSLIN-UHFFFAOYSA-N -1 3 282.331 3.058 20 0 CGADHM CCCCOc1ccc(C(=O)N2CCC=C(F)C2)c([O-])c1 ZINC000436992252 528658540 /nfs/dbraw/zinc/65/85/40/528658540.db2.gz YGTOWZAEZGYSRD-UHFFFAOYSA-N -1 3 293.338 3.270 20 0 CGADHM CCCCOc1ccc(C(=O)N2CCC(F)(F)C2)c([O-])c1 ZINC000436978776 528659034 /nfs/dbraw/zinc/65/90/34/528659034.db2.gz JGMJIJXAHVRYIN-UHFFFAOYSA-N -1 3 299.317 3.052 20 0 CGADHM CCCCOc1ccc(C(=O)N2C[C@H](C)[C@@H](C)C2)c([O-])c1 ZINC000436989804 528662613 /nfs/dbraw/zinc/66/26/13/528662613.db2.gz SGADUBMCAHBAMC-STQMWFEESA-N -1 3 291.391 3.299 20 0 CGADHM CCCc1nc(C)c(NC(=O)c2c([O-])cccc2O)s1 ZINC000436682531 528741018 /nfs/dbraw/zinc/74/10/18/528741018.db2.gz WBVWKRWFKSLQHI-UHFFFAOYSA-N -1 3 292.360 3.068 20 0 CGADHM CCCC[C@H](C)N(C)C(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000412361269 528891468 /nfs/dbraw/zinc/89/14/68/528891468.db2.gz HOMPCOLRYQCNNC-NSHDSACASA-N -1 3 277.364 3.246 20 0 CGADHM CC(C)[C@H](C(=O)Nc1ccccc1[O-])c1cccnc1 ZINC000436118718 528929695 /nfs/dbraw/zinc/92/96/95/528929695.db2.gz AQVBLWMBIZWGGV-HNNXBMFYSA-N -1 3 270.332 3.166 20 0 CGADHM CCO[N-]C(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000173023342 529087138 /nfs/dbraw/zinc/08/71/38/529087138.db2.gz BLTQNDMNEZWMDD-GHMZBOCLSA-N -1 3 274.147 3.165 20 0 CGADHM CC[C@H](c1ccc(F)cc1F)N1CC[C@](C)(C(=O)[O-])C1 ZINC000449082591 529179884 /nfs/dbraw/zinc/17/98/84/529179884.db2.gz OKSIXTAJRKOWAG-HIFRSBDPSA-N -1 3 283.318 3.213 20 0 CGADHM CC[C@H](C)[C@@H](NC(=O)c1ccccc1[O-])C(F)(F)F ZINC000436998949 529218866 /nfs/dbraw/zinc/21/88/66/529218866.db2.gz CLZQNUQIZDPQMV-GZMMTYOYSA-N -1 3 275.270 3.099 20 0 CGADHM CC[C@H]1CC[C@@H](C)N1C(=O)Cc1ccc([O-])cc1Cl ZINC000357974353 529248395 /nfs/dbraw/zinc/24/83/95/529248395.db2.gz NHEXJSOFULPAFQ-PWSUYJOCSA-N -1 3 281.783 3.378 20 0 CGADHM CC[C@H]1CC[C@H](NC(=O)c2ccc(C(C)=O)c([O-])c2)CC1 ZINC000412358269 529256935 /nfs/dbraw/zinc/25/69/35/529256935.db2.gz ITMLAPWDIYWMPB-MQMHXKEQSA-N -1 3 289.375 3.293 20 0 CGADHM CC[C@H](C)c1cc(C(=O)Nc2ccc(C)cc2[O-])on1 ZINC000175059542 529273930 /nfs/dbraw/zinc/27/39/30/529273930.db2.gz URQQZQYIZAVMFF-JTQLQIEISA-N -1 3 274.320 3.454 20 0 CGADHM CC(C)N(CCCCC(=O)[O-])Cc1ccccc1F ZINC000262170520 535053426 /nfs/dbraw/zinc/05/34/26/535053426.db2.gz CJHRPRAYOUIOBE-UHFFFAOYSA-N -1 3 267.344 3.291 20 0 CGADHM CC(C)(C)c1ccc(NC(=O)/C=C\c2ncc[nH]2)c([O-])c1 ZINC000493843745 535117164 /nfs/dbraw/zinc/11/71/64/535117164.db2.gz AHHLGHVIESRBEU-SREVYHEPSA-N -1 3 285.347 3.065 20 0 CGADHM CCOCCC1(C(=O)Nc2ccc([O-])cc2F)CCC1 ZINC000124303039 535465411 /nfs/dbraw/zinc/46/54/11/535465411.db2.gz GCEGYMUJFUMANW-UHFFFAOYSA-N -1 3 281.327 3.067 20 0 CGADHM CCc1cccc(C(=O)N(C)C2(C)CCCC2)c1[O-] ZINC000516946715 535840171 /nfs/dbraw/zinc/84/01/71/535840171.db2.gz NWQFTTFVZIGWBL-UHFFFAOYSA-N -1 3 261.365 3.359 20 0 CGADHM CCc1cc(C(=O)N2CCc3cccc(C)c32)ccc1[O-] ZINC000486582946 536115063 /nfs/dbraw/zinc/11/50/63/536115063.db2.gz FWOXDZAOHRXJSD-UHFFFAOYSA-N -1 3 281.355 3.466 20 0 CGADHM CCCc1nc(COC(=O)c2ccc([O-])cc2)cs1 ZINC000728316802 571800731 /nfs/dbraw/zinc/80/07/31/571800731.db2.gz KBWUJWHACRAPKX-UHFFFAOYSA-N -1 3 277.345 3.158 20 0 CGADHM O=C([O-])CCCCN1CCCC[C@@H]1c1ccco1 ZINC000738570736 571864440 /nfs/dbraw/zinc/86/44/40/571864440.db2.gz LBOYNKUAXHGUBU-GFCCVEGCSA-N -1 3 251.326 3.062 20 0 CGADHM COc1cccc([C@H]2C[C@@H]2C(=O)[N-]OCc2ccccc2)c1 ZINC000730207697 571970886 /nfs/dbraw/zinc/97/08/86/571970886.db2.gz XYCADSBMQOJRRB-SJORKVTESA-N -1 3 297.354 3.047 20 0 CGADHM O=C(Nc1cccnc1N1CCCC1)c1cc2occc2[n-]1 ZINC000750846251 572330042 /nfs/dbraw/zinc/33/00/42/572330042.db2.gz XFBUWEPNGZOKIK-UHFFFAOYSA-N -1 3 296.330 3.008 20 0 CGADHM CCn1nc(NC(=O)c2cc3occc3[n-]2)cc1C1CC1 ZINC000750893495 572332251 /nfs/dbraw/zinc/33/22/51/572332251.db2.gz PPIADQSWOLKOHQ-UHFFFAOYSA-N -1 3 284.319 3.107 20 0 CGADHM Cc1ccccc1CNc1c(Cl)cccc1-c1nnn[n-]1 ZINC000737427896 572341098 /nfs/dbraw/zinc/34/10/98/572341098.db2.gz JHSAEFUGNBMYDI-UHFFFAOYSA-N -1 3 299.765 3.441 20 0 CGADHM Cc1ccccc1CNc1c(Cl)cccc1-c1nn[n-]n1 ZINC000737427896 572341100 /nfs/dbraw/zinc/34/11/00/572341100.db2.gz JHSAEFUGNBMYDI-UHFFFAOYSA-N -1 3 299.765 3.441 20 0 CGADHM Cc1ccc(CN[C@@H](C(=O)[O-])c2ccc(F)cc2)c(C)c1 ZINC000738601472 572381650 /nfs/dbraw/zinc/38/16/50/572381650.db2.gz FSJLCUQSHQEIAG-MRXNPFEDSA-N -1 3 287.334 3.358 20 0 CGADHM O=C([O-])N1CCC[C@H](CN(Cc2cccs2)C2CC2)C1 ZINC000740510038 572443237 /nfs/dbraw/zinc/44/32/37/572443237.db2.gz DQAOTWADXQZFKR-LBPRGKRZSA-N -1 3 294.420 3.103 20 0 CGADHM Cc1nc(-c2nc(-c3ccc([O-])cc3)no2)c2ccccn12 ZINC000741447912 572498443 /nfs/dbraw/zinc/49/84/43/572498443.db2.gz SFIQGDOGCHMJNM-UHFFFAOYSA-N -1 3 292.298 3.065 20 0 CGADHM Fc1ccc(NC2CCCCCC2)c(-c2nnn[n-]2)c1 ZINC000737660813 572584276 /nfs/dbraw/zinc/58/42/76/572584276.db2.gz RABOCBUKOXAFCS-UHFFFAOYSA-N -1 3 275.331 3.141 20 0 CGADHM Fc1ccc(NC2CCCCCC2)c(-c2nn[n-]n2)c1 ZINC000737660813 572584280 /nfs/dbraw/zinc/58/42/80/572584280.db2.gz RABOCBUKOXAFCS-UHFFFAOYSA-N -1 3 275.331 3.141 20 0 CGADHM CS[C@@H]1CC[C@@H](NC(=O)c2ccc(C)c(C)c2[O-])C1 ZINC000743727467 572681156 /nfs/dbraw/zinc/68/11/56/572681156.db2.gz BUOMPUBPSVMTOQ-VXGBXAGGSA-N -1 3 279.405 3.023 20 0 CGADHM CCC(C)(C)CCOC(=O)c1ccc([O-])cc1O ZINC000744497084 572758978 /nfs/dbraw/zinc/75/89/78/572758978.db2.gz KAHRIUCKLOTMAU-UHFFFAOYSA-N -1 3 252.310 3.081 20 0 CGADHM CSCCCOC(=O)c1cc(-c2cccs2)[n-]n1 ZINC000744761871 572771846 /nfs/dbraw/zinc/77/18/46/572771846.db2.gz HREWTJJVKCUCOY-UHFFFAOYSA-N -1 3 282.390 3.048 20 0 CGADHM CC[C@H](Nc1cc(-c2nnn[n-]2)c2ccccc2n1)C(C)C ZINC000736370957 572784340 /nfs/dbraw/zinc/78/43/40/572784340.db2.gz UQICKRDZGDJVDJ-ZDUSSCGKSA-N -1 3 296.378 3.261 20 0 CGADHM CC[C@H](Nc1cc(-c2nn[n-]n2)c2ccccc2n1)C(C)C ZINC000736370957 572784345 /nfs/dbraw/zinc/78/43/45/572784345.db2.gz UQICKRDZGDJVDJ-ZDUSSCGKSA-N -1 3 296.378 3.261 20 0 CGADHM CC[C@@H](N[C@H]1CCCN(C(=O)[O-])C1)c1ccc(F)cc1F ZINC000736920071 572825111 /nfs/dbraw/zinc/82/51/11/572825111.db2.gz MLWRLWMASMOLQR-SMDDNHRTSA-N -1 3 298.333 3.148 20 0 CGADHM COc1ccc(NC(=O)c2ccc(C(C)C)cn2)c([O-])c1 ZINC000356023918 572841758 /nfs/dbraw/zinc/84/17/58/572841758.db2.gz SHRLRLWLGBZZQY-UHFFFAOYSA-N -1 3 286.331 3.172 20 0 CGADHM CN(C(=O)c1cc([O-])c2ccccc2c1)[C@H]1CC1(C)C ZINC000356059311 572841829 /nfs/dbraw/zinc/84/18/29/572841829.db2.gz WDGGUEMACTXCMR-HNNXBMFYSA-N -1 3 269.344 3.416 20 0 CGADHM Cc1noc(C(F)(F)F)c1C(=O)[N-]c1ccsc1 ZINC000746275312 572864205 /nfs/dbraw/zinc/86/42/05/572864205.db2.gz FFFVMPFPPAYVAC-UHFFFAOYSA-N -1 3 276.239 3.316 20 0 CGADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000737194627 572865726 /nfs/dbraw/zinc/86/57/26/572865726.db2.gz PVSLZXGCTZVJBU-LLVKDONJSA-N -1 3 265.320 3.040 20 0 CGADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000737194627 572865729 /nfs/dbraw/zinc/86/57/29/572865729.db2.gz PVSLZXGCTZVJBU-LLVKDONJSA-N -1 3 265.320 3.040 20 0 CGADHM O=C([N-]OCc1ccc(C(F)(F)F)cc1)C1=CCCC1 ZINC000747160999 572915349 /nfs/dbraw/zinc/91/53/49/572915349.db2.gz JYTAWTNCDATFEK-UHFFFAOYSA-N -1 3 285.265 3.364 20 0 CGADHM C/C(=C/C(=O)NCc1ccc([O-])c(F)c1)C(C)(C)C ZINC000748042497 572958580 /nfs/dbraw/zinc/95/85/80/572958580.db2.gz LFZHHHSXAGLPDQ-YFHOEESVSA-N -1 3 265.328 3.140 20 0 CGADHM Cc1cc(C)cc([C@H](C)[N-]C(=O)C(F)(F)C(F)F)c1 ZINC000749381837 572995346 /nfs/dbraw/zinc/99/53/46/572995346.db2.gz IXEZYROJADKDNI-VIFPVBQESA-N -1 3 277.261 3.381 20 0 CGADHM Cc1cc(OC(C)C)ccc1NC(=O)[N-]OCC(C)C ZINC000750301051 573110425 /nfs/dbraw/zinc/11/04/25/573110425.db2.gz KPSIYOUDQSUWHP-UHFFFAOYSA-N -1 3 280.368 3.491 20 0 CGADHM CN(Cc1ccc(C(=O)[O-])s1)Cc1ccccc1 ZINC000103920228 601936116 /nfs/dbraw/zinc/93/61/16/601936116.db2.gz JCQUYSNREHNHGT-UHFFFAOYSA-N -1 3 261.346 3.078 20 0 CGADHM CC(C)[C@@H](C)SCc1ccc(-c2nnn[n-]2)cc1F ZINC000820021613 599130146 /nfs/dbraw/zinc/13/01/46/599130146.db2.gz XDGNYGZEUQGOCY-SECBINFHSA-N -1 3 280.372 3.284 20 0 CGADHM CC(C)[C@@H](C)SCc1ccc(-c2nn[n-]n2)cc1F ZINC000820021613 599130149 /nfs/dbraw/zinc/13/01/49/599130149.db2.gz XDGNYGZEUQGOCY-SECBINFHSA-N -1 3 280.372 3.284 20 0 CGADHM C[C@H](SCC1CCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820550747 599224719 /nfs/dbraw/zinc/22/47/19/599224719.db2.gz YOVDEZRDYBOHAY-JTQLQIEISA-N -1 3 274.393 3.461 20 0 CGADHM C[C@H](SCC1CCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820550747 599224721 /nfs/dbraw/zinc/22/47/21/599224721.db2.gz YOVDEZRDYBOHAY-JTQLQIEISA-N -1 3 274.393 3.461 20 0 CGADHM Cc1nc(C)c([C@H](C)NCc2cccc(C(=O)[O-])c2)s1 ZINC000235518182 598192202 /nfs/dbraw/zinc/19/22/02/598192202.db2.gz JXITUGMDXLGAJQ-VIFPVBQESA-N -1 3 290.388 3.309 20 0 CGADHM Clc1cccc(-c2nnn[n-]2)c1N1Cc2ccccc2C1 ZINC000822581389 599543130 /nfs/dbraw/zinc/54/31/30/599543130.db2.gz HBRNPHQCJZDGRY-UHFFFAOYSA-N -1 3 297.749 3.040 20 0 CGADHM Clc1cccc(-c2nn[n-]n2)c1N1Cc2ccccc2C1 ZINC000822581389 599543132 /nfs/dbraw/zinc/54/31/32/599543132.db2.gz HBRNPHQCJZDGRY-UHFFFAOYSA-N -1 3 297.749 3.040 20 0 CGADHM CSCCCCNc1c(Cl)cccc1-c1nnn[n-]1 ZINC000821961671 599564042 /nfs/dbraw/zinc/56/40/42/599564042.db2.gz MCZTXXRCKSYFSI-UHFFFAOYSA-N -1 3 297.815 3.075 20 0 CGADHM CSCCCCNc1c(Cl)cccc1-c1nn[n-]n1 ZINC000821961671 599564044 /nfs/dbraw/zinc/56/40/44/599564044.db2.gz MCZTXXRCKSYFSI-UHFFFAOYSA-N -1 3 297.815 3.075 20 0 CGADHM O=C([O-])[C@@H](c1ccc(F)cc1)N1CCc2ccccc2C1 ZINC000074404629 599708140 /nfs/dbraw/zinc/70/81/40/599708140.db2.gz ARCBJSQYNPOCMJ-MRXNPFEDSA-N -1 3 285.318 3.010 20 0 CGADHM CC(C)[C@@H](NCc1cc(C(=O)[O-])co1)c1ccccc1 ZINC000228160560 599845632 /nfs/dbraw/zinc/84/56/32/599845632.db2.gz SGXDMPMXHBLDJS-OAHLLOKOSA-N -1 3 273.332 3.465 20 0 CGADHM C[C@@](NCc1csc(C2CCCC2)n1)(C(=O)[O-])C1CC1 ZINC000827741843 601040340 /nfs/dbraw/zinc/04/03/40/601040340.db2.gz UVAREXYPQIWXEH-HNNXBMFYSA-N -1 3 294.420 3.144 20 0 CGADHM C/C(=C/CN(C)Cc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000825729291 601157000 /nfs/dbraw/zinc/15/70/00/601157000.db2.gz CHZXDJUEGTYBAN-OQFOIZHKSA-N -1 3 288.174 3.456 20 0 CGADHM C/C(=C/CN1CC=C(c2ccc(Cl)cc2)CC1)C(=O)[O-] ZINC000825734091 601597652 /nfs/dbraw/zinc/59/76/52/601597652.db2.gz HOHMOYJIDSYRJH-SDQBBNPISA-N -1 3 291.778 3.460 20 0 CGADHM CC(C)(NCc1c[nH]c(C(=O)[O-])c1)c1cccc(Cl)c1 ZINC000826630394 601833951 /nfs/dbraw/zinc/83/39/51/601833951.db2.gz DTFNJUSUCGEQOQ-UHFFFAOYSA-N -1 3 292.766 3.391 20 0 CGADHM C[C@H](NCC[C@@H]1CCN(C(=O)[O-])C1)c1cc(F)ccc1F ZINC000825490617 604288783 /nfs/dbraw/zinc/28/87/83/604288783.db2.gz NBSJERWDWDEBRQ-WDEREUQCSA-N -1 3 298.333 3.005 20 0 CGADHM O=C([O-])c1cc(CN2CCC[C@H]2c2cccs2)c[nH]1 ZINC000833780533 604521643 /nfs/dbraw/zinc/52/16/43/604521643.db2.gz YRFJKLHDLTUGIL-LBPRGKRZSA-N -1 3 276.361 3.112 20 0 CGADHM CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2cccnc2Cl)C1 ZINC000833419918 604945799 /nfs/dbraw/zinc/94/57/99/604945799.db2.gz JTEGQGSAENTHMS-LBPRGKRZSA-N -1 3 296.798 3.058 20 0 CGADHM O=C([O-])NC1CCN(Cc2cc3ccccc3s2)CC1 ZINC000834190138 605485495 /nfs/dbraw/zinc/48/54/95/605485495.db2.gz RRQBOXABBNHXPY-UHFFFAOYSA-N -1 3 290.388 3.133 20 0 CGADHM O=C([O-])N1CCC(N(Cc2ccc(Cl)o2)C2CC2)CC1 ZINC000834081780 605491270 /nfs/dbraw/zinc/49/12/70/605491270.db2.gz AGDGGLVGXIGUFN-UHFFFAOYSA-N -1 3 298.770 3.040 20 0 CGADHM Cc1cc(C)cc([C@@H](C)Nc2ccc(-c3nnn[n-]3)nc2)c1 ZINC000822196264 606078754 /nfs/dbraw/zinc/07/87/54/606078754.db2.gz BLQISRHSPVJBGF-GFCCVEGCSA-N -1 3 294.362 3.052 20 0 CGADHM Cc1cc(C)cc([C@@H](C)Nc2ccc(-c3nn[n-]n3)nc2)c1 ZINC000822196264 606078760 /nfs/dbraw/zinc/07/87/60/606078760.db2.gz BLQISRHSPVJBGF-GFCCVEGCSA-N -1 3 294.362 3.052 20 0 CGADHM C[C@H]1c2ccccc2CN1c1ccc(-c2nn[n-]n2)cc1F ZINC000820827882 606137714 /nfs/dbraw/zinc/13/77/14/606137714.db2.gz YNKNVGHIRNCXAQ-JTQLQIEISA-N -1 3 295.321 3.087 20 0 CGADHM CCc1cccc(NCc2cc(-c3nnn[n-]3)cs2)c1 ZINC000821492564 606213348 /nfs/dbraw/zinc/21/33/48/606213348.db2.gz RPXKHCKQIHALKJ-UHFFFAOYSA-N -1 3 285.376 3.103 20 0 CGADHM CCc1cccc(NCc2cc(-c3nn[n-]n3)cs2)c1 ZINC000821492564 606213349 /nfs/dbraw/zinc/21/33/49/606213349.db2.gz RPXKHCKQIHALKJ-UHFFFAOYSA-N -1 3 285.376 3.103 20 0 CGADHM c1ccc(CSc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000823787756 606330097 /nfs/dbraw/zinc/33/00/97/606330097.db2.gz PYFCLICMODPUDV-UHFFFAOYSA-N -1 3 268.345 3.159 20 0 CGADHM c1ccc(CSc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000823787756 606330098 /nfs/dbraw/zinc/33/00/98/606330098.db2.gz PYFCLICMODPUDV-UHFFFAOYSA-N -1 3 268.345 3.159 20 0 CGADHM CC(C(=O)Nc1cc(-c2nnn[n-]2)ccc1C)=C1CCCC1 ZINC000819866708 606618384 /nfs/dbraw/zinc/61/83/84/606618384.db2.gz OVVQBRAPKGRMKN-UHFFFAOYSA-N -1 3 297.362 3.004 20 0 CGADHM CC(C(=O)Nc1cc(-c2nn[n-]n2)ccc1C)=C1CCCC1 ZINC000819866708 606618385 /nfs/dbraw/zinc/61/83/85/606618385.db2.gz OVVQBRAPKGRMKN-UHFFFAOYSA-N -1 3 297.362 3.004 20 0 CGADHM CCc1ccc(NCc2ccccc2-c2nnn[n-]2)cc1 ZINC000821486790 606642504 /nfs/dbraw/zinc/64/25/04/606642504.db2.gz LQPBCHSAPKTWLP-UHFFFAOYSA-N -1 3 279.347 3.041 20 0 CGADHM CCc1ccc(NCc2ccccc2-c2nn[n-]n2)cc1 ZINC000821486790 606642505 /nfs/dbraw/zinc/64/25/05/606642505.db2.gz LQPBCHSAPKTWLP-UHFFFAOYSA-N -1 3 279.347 3.041 20 0 CGADHM CCCSc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821138622 606851691 /nfs/dbraw/zinc/85/16/91/606851691.db2.gz DHLKEQOIJDODGO-UHFFFAOYSA-N -1 3 254.746 3.022 20 0 CGADHM CCCSc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821138622 606851690 /nfs/dbraw/zinc/85/16/90/606851690.db2.gz DHLKEQOIJDODGO-UHFFFAOYSA-N -1 3 254.746 3.022 20 0 CGADHM C[C@@H](Nc1ccc(C(F)(F)F)cc1-c1nnn[n-]1)C1CC1 ZINC000820456917 607172813 /nfs/dbraw/zinc/17/28/13/607172813.db2.gz XDWQQZLGWVQYRL-SSDOTTSWSA-N -1 3 297.284 3.096 20 0 CGADHM C[C@@H](Nc1ccc(C(F)(F)F)cc1-c1nn[n-]n1)C1CC1 ZINC000820456917 607172814 /nfs/dbraw/zinc/17/28/14/607172814.db2.gz XDWQQZLGWVQYRL-SSDOTTSWSA-N -1 3 297.284 3.096 20 0 CGADHM c1noc(C2CC2)c1CSc1ccccc1-c1nnn[n-]1 ZINC000826519865 608292386 /nfs/dbraw/zinc/29/23/86/608292386.db2.gz RLVSOYKKGXAXJC-UHFFFAOYSA-N -1 3 299.359 3.024 20 0 CGADHM c1noc(C2CC2)c1CSc1ccccc1-c1nn[n-]n1 ZINC000826519865 608292388 /nfs/dbraw/zinc/29/23/88/608292388.db2.gz RLVSOYKKGXAXJC-UHFFFAOYSA-N -1 3 299.359 3.024 20 0 CGADHM CC[C@H](C)CSCc1cccc(-c2nnn[n-]2)c1F ZINC000825068449 608399352 /nfs/dbraw/zinc/39/93/52/608399352.db2.gz RUDVUAOFGHRKBJ-VIFPVBQESA-N -1 3 280.372 3.285 20 0 CGADHM CC[C@H](C)CSCc1cccc(-c2nn[n-]n2)c1F ZINC000825068449 608399354 /nfs/dbraw/zinc/39/93/54/608399354.db2.gz RUDVUAOFGHRKBJ-VIFPVBQESA-N -1 3 280.372 3.285 20 0 CGADHM C[C@H]1C[C@H]1c1ccc(CNc2cccc(-c3nnn[n-]3)c2)o1 ZINC000315742474 608868149 /nfs/dbraw/zinc/86/81/49/608868149.db2.gz OBVSBEGEKVOXQB-IINYFYTJSA-N -1 3 295.346 3.195 20 0 CGADHM C[C@H]1C[C@H]1c1ccc(CNc2cccc(-c3nn[n-]n3)c2)o1 ZINC000315742474 608868153 /nfs/dbraw/zinc/86/81/53/608868153.db2.gz OBVSBEGEKVOXQB-IINYFYTJSA-N -1 3 295.346 3.195 20 0 CGADHM Cc1cc(CNc2cccc(-c3nnn[n-]3)c2)ccc1Cl ZINC000826267233 609170268 /nfs/dbraw/zinc/17/02/68/609170268.db2.gz XDTKBCQCRFTZFV-UHFFFAOYSA-N -1 3 299.765 3.441 20 0 CGADHM Cc1cc(CNc2cccc(-c3nn[n-]n3)c2)ccc1Cl ZINC000826267233 609170269 /nfs/dbraw/zinc/17/02/69/609170269.db2.gz XDTKBCQCRFTZFV-UHFFFAOYSA-N -1 3 299.765 3.441 20 0 CGADHM Cc1occc1SCc1ccc(F)cc1-c1nnn[n-]1 ZINC000826342742 609179200 /nfs/dbraw/zinc/17/92/00/609179200.db2.gz XZSFJKWCPGOWJX-UHFFFAOYSA-N -1 3 290.323 3.200 20 0 CGADHM Cc1occc1SCc1ccc(F)cc1-c1nn[n-]n1 ZINC000826342742 609179202 /nfs/dbraw/zinc/17/92/02/609179202.db2.gz XZSFJKWCPGOWJX-UHFFFAOYSA-N -1 3 290.323 3.200 20 0 CGADHM Cc1cscc1N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826320902 609249266 /nfs/dbraw/zinc/24/92/66/609249266.db2.gz JHBQJDWBCIXZLH-JTQLQIEISA-N -1 3 285.376 3.410 20 0 CGADHM Cc1cscc1N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826320902 609249268 /nfs/dbraw/zinc/24/92/68/609249268.db2.gz JHBQJDWBCIXZLH-JTQLQIEISA-N -1 3 285.376 3.410 20 0 CGADHM Cc1ccc2c(c1)O[C@H](C)CN2C(=O)c1cc(C)ccc1[O-] ZINC000175841345 618106638 /nfs/dbraw/zinc/10/66/38/618106638.db2.gz DRSDNHGYQDEGAU-CYBMUJFWSA-N -1 3 297.354 3.437 20 0 CGADHM Cc1ccc([C@@H]2COCCN2Cc2ccc([O-])c(F)c2)o1 ZINC000892058162 618509847 /nfs/dbraw/zinc/50/98/47/618509847.db2.gz QXNBMQQMTSUVEF-AWEZNQCLSA-N -1 3 291.322 3.006 20 0 CGADHM CCc1ccc(CC)c(NC([O-])=NO[C@@H]2CCCCO2)c1 ZINC000161475806 618679316 /nfs/dbraw/zinc/67/93/16/618679316.db2.gz YUNYTYPELOFMFZ-OAHLLOKOSA-N -1 3 292.379 3.391 20 0 CGADHM CCc1ccc(CC)c(NC(=O)[N-]O[C@@H]2CCCCO2)c1 ZINC000161475806 618679317 /nfs/dbraw/zinc/67/93/17/618679317.db2.gz YUNYTYPELOFMFZ-OAHLLOKOSA-N -1 3 292.379 3.391 20 0 CGADHM COCCOc1ccccc1NCc1ccc([O-])c(F)c1 ZINC000892349249 618721569 /nfs/dbraw/zinc/72/15/69/618721569.db2.gz RDBXOOWBGISNAS-UHFFFAOYSA-N -1 3 291.322 3.169 20 0 CGADHM O=C(/C=C\c1cccc(F)c1)Nc1cc(F)ccc1[O-] ZINC000255636129 618769479 /nfs/dbraw/zinc/76/94/79/618769479.db2.gz DLYRWOLYBTUPFY-DAXSKMNVSA-N -1 3 275.254 3.322 20 0 CGADHM O=C1[N-]C(=O)C(=CNc2cccc(Cl)c2)c2ccccc21 ZINC000255663504 618773774 /nfs/dbraw/zinc/77/37/74/618773774.db2.gz XHUSGWDBAAZXKO-ZROIWOOFSA-N -1 3 298.729 3.063 20 0 CGADHM O=C(OCC[C@H]1CCCO1)c1cc(Cl)c(Cl)[n-]1 ZINC000177924746 618850670 /nfs/dbraw/zinc/85/06/70/618850670.db2.gz JBFPSBQGEWNPSE-SSDOTTSWSA-N -1 3 278.135 3.047 20 0 CGADHM Cc1ccc([C@H](C)[N-]C(=O)C(F)(F)C(F)F)cc1 ZINC000175924621 618970988 /nfs/dbraw/zinc/97/09/88/618970988.db2.gz DZVAOBCJMSOUDN-QMMMGPOBSA-N -1 3 263.234 3.073 20 0 CGADHM C/C=C(\CC)C(=O)Nc1cc(Br)ccc1[O-] ZINC000190894773 619104339 /nfs/dbraw/zinc/10/43/39/619104339.db2.gz YTFSWZIMBXCAKV-FPYGCLRLSA-N -1 3 284.153 3.450 20 0 CGADHM Cc1ccc(-c2ccc(CN3CC(C(=O)[O-])C3)s2)cc1 ZINC000144196349 620215350 /nfs/dbraw/zinc/21/53/50/620215350.db2.gz MGSWIJLOEPXSHV-UHFFFAOYSA-N -1 3 287.384 3.240 20 0 CGADHM COC[C@H](N[C@@H](C)c1cc([O-])cc(F)c1)c1ccc(C)o1 ZINC000925205148 620229697 /nfs/dbraw/zinc/22/96/97/620229697.db2.gz OALZCJCLSNWYHZ-NHYWBVRUSA-N -1 3 293.338 3.471 20 0 CGADHM C[C@]1(C(=O)[N-]OCCCC(F)(F)F)CC=CCC1 ZINC000871217292 620242092 /nfs/dbraw/zinc/24/20/92/620242092.db2.gz RPTWZKILMIRYBK-NSHDSACASA-N -1 3 265.275 3.123 20 0 CGADHM CCc1cc(=O)[n-]c(CSC2CC(CF)(CF)C2)n1 ZINC000871700835 620256272 /nfs/dbraw/zinc/25/62/72/620256272.db2.gz SRLVRNIZRLPDLF-UHFFFAOYSA-N -1 3 288.363 3.066 20 0 CGADHM O=C([O-])C1CCN(CCCc2c(F)cccc2Cl)CC1 ZINC000263416771 620317201 /nfs/dbraw/zinc/31/72/01/620317201.db2.gz NMMHRTIXVJDEJI-UHFFFAOYSA-N -1 3 299.773 3.208 20 0 CGADHM Cc1noc(C)c1[C@H](C)CC(=O)[N-]Oc1ccc(F)cc1 ZINC000898572646 620596936 /nfs/dbraw/zinc/59/69/36/620596936.db2.gz BCTMMEZNVWEGQZ-SECBINFHSA-N -1 3 292.310 3.034 20 0 CGADHM Cc1cccc(CO[N-]C(=O)CCCCc2ccccc2)n1 ZINC000898929466 620609107 /nfs/dbraw/zinc/60/91/07/620609107.db2.gz TXTHQYVWQKCOPA-UHFFFAOYSA-N -1 3 298.386 3.351 20 0 CGADHM Cc1cccc(CO[N-]C(=O)CCCC(C)(C)C)n1 ZINC000898935904 620610650 /nfs/dbraw/zinc/61/06/50/620610650.db2.gz NOLRCJAFWXMUKW-UHFFFAOYSA-N -1 3 264.369 3.154 20 0 CGADHM COCc1c(C)cc(C)c(C=Cc2nccc(=O)[n-]2)c1C ZINC000901478178 620891655 /nfs/dbraw/zinc/89/16/55/620891655.db2.gz UYHWAGZITGBVJS-WAYWQWQTSA-N -1 3 284.359 3.424 20 0 CGADHM Cc1cccc2c1CC[C@@H]2NCc1ccoc1C(=O)[O-] ZINC000902230593 621203912 /nfs/dbraw/zinc/20/39/12/621203912.db2.gz HEDOHADGQAZQFT-AWEZNQCLSA-N -1 3 271.316 3.063 20 0 CGADHM Cc1cc(=O)[n-]c(CSC[C@@H]2CC(C)(C)OC2(C)C)n1 ZINC000902343494 621256431 /nfs/dbraw/zinc/25/64/31/621256431.db2.gz QHBVCWKKBURBHX-NSHDSACASA-N -1 3 296.436 3.318 20 0 CGADHM C[C@@H]1CCc2ccccc2[C@H]1NCc1cc(C(=O)[O-])co1 ZINC000902338313 621272968 /nfs/dbraw/zinc/27/29/68/621272968.db2.gz PNGYXIWYOCONBB-BZNIZROVSA-N -1 3 285.343 3.391 20 0 CGADHM C[C@H]1CCN(Cc2ccc(C(=O)[O-])c(Cl)c2)CCS1 ZINC000902407845 621293651 /nfs/dbraw/zinc/29/36/51/621293651.db2.gz ABKREIQBFMNRCB-JTQLQIEISA-N -1 3 299.823 3.366 20 0 CGADHM Cc1ccc([C@@H](C)N(C)Cc2cccc(C(=O)[O-])n2)cc1 ZINC000902510434 621350842 /nfs/dbraw/zinc/35/08/42/621350842.db2.gz UPWUYKMHVSYRHR-CYBMUJFWSA-N -1 3 284.359 3.281 20 0 CGADHM Cc1ccc(F)c(CN(C)[C@H](CC(C)C)C(=O)[O-])c1F ZINC000903600140 621769880 /nfs/dbraw/zinc/76/98/80/621769880.db2.gz DHOKYEGRDRBGAA-CYBMUJFWSA-N -1 3 285.334 3.204 20 0 CGADHM Cc1cc(CN2CCCC[C@@H]2CCC(=O)[O-])cnc1Cl ZINC000903695298 621790322 /nfs/dbraw/zinc/79/03/22/621790322.db2.gz UONRTYXQIPPWQZ-CYBMUJFWSA-N -1 3 296.798 3.263 20 0 CGADHM CCc1nc(CN2[C@H](C)C[C@H](C)[C@H](C(=O)[O-])[C@H]2C)cs1 ZINC000903950559 621840905 /nfs/dbraw/zinc/84/09/05/621840905.db2.gz QRKVZJQZLPVBBD-OXIWPEFWSA-N -1 3 296.436 3.025 20 0 CGADHM COC1(CNCc2cc(C)c(C(=O)[O-])o2)CCCCCC1 ZINC000905798238 622111349 /nfs/dbraw/zinc/11/13/49/622111349.db2.gz HKKGBZTYWHORJV-UHFFFAOYSA-N -1 3 295.379 3.115 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])c1c[nH]c2cccc(F)c12 ZINC000156920931 622850672 /nfs/dbraw/zinc/85/06/72/622850672.db2.gz ZTWSYTWOIDFPEG-UHFFFAOYSA-N -1 3 288.253 3.404 20 0 CGADHM O=C(CC1CC1)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000152157681 623625533 /nfs/dbraw/zinc/62/55/33/623625533.db2.gz VQCFLBWTWXMXFY-UHFFFAOYSA-N -1 3 273.254 3.053 20 0 CGADHM C[C@@H](N[C@@H](C)CC(C)(C)C)c1ncc(C(=O)[O-])s1 ZINC000314986459 623666341 /nfs/dbraw/zinc/66/63/41/623666341.db2.gz PUQPCBPUWKQRQP-DTWKUNHWSA-N -1 3 270.398 3.317 20 0 CGADHM O=C(c1cc2sccc2c([O-])c1)N1CCC[C@@H](CF)C1 ZINC000914427360 623732554 /nfs/dbraw/zinc/73/25/54/623732554.db2.gz JTSAMQWFCWTXHV-JTQLQIEISA-N -1 3 293.363 3.429 20 0 CGADHM O=C(c1ccccc1[O-])N(CCc1ccccc1)C1CC1 ZINC000914490120 623812457 /nfs/dbraw/zinc/81/24/57/623812457.db2.gz AQAPDJNUWJMXEQ-UHFFFAOYSA-N -1 3 281.355 3.240 20 0 CGADHM CC/C=C/CCOC(=O)c1cc(-c2ccc(C)o2)[n-]n1 ZINC000918508866 624356232 /nfs/dbraw/zinc/35/62/32/624356232.db2.gz GYVKBJBKOZUUOX-SNAWJCMRSA-N -1 3 274.320 3.491 20 0 CGADHM CC/C=C/CCOC(=O)c1cc(-c2ccc(C)o2)n[n-]1 ZINC000918508866 624356235 /nfs/dbraw/zinc/35/62/35/624356235.db2.gz GYVKBJBKOZUUOX-SNAWJCMRSA-N -1 3 274.320 3.491 20 0 CGADHM O=C([N-]OCc1ccccc1)[C@@H]1C[C@@]12CCc1ccccc12 ZINC000175119768 624613909 /nfs/dbraw/zinc/61/39/09/624613909.db2.gz LBAJAVMDSIFFCR-PKOBYXMFSA-N -1 3 293.366 3.139 20 0 CGADHM O=C([N-]OCc1ccccc1)[C@H]1C[C@]12CCc1ccccc12 ZINC000175119815 624614080 /nfs/dbraw/zinc/61/40/80/624614080.db2.gz LBAJAVMDSIFFCR-MJGOQNOKSA-N -1 3 293.366 3.139 20 0 CGADHM [O-]c1ccc(Cl)cc1/C=N/CCCCCCO ZINC000183384935 625069258 /nfs/dbraw/zinc/06/92/58/625069258.db2.gz FHUPZNYKDHTHFB-XNTDXEJSSA-N -1 3 255.745 3.017 20 0 CGADHM O=C([O-])[C@@H]1CN(Cc2ccc(Cl)c(F)c2)C[C@H]1C1CC1 ZINC000923529832 626161587 /nfs/dbraw/zinc/16/15/87/626161587.db2.gz SMJMNHXAQRJOPR-NWDGAFQWSA-N -1 3 297.757 3.022 20 0 CGADHM COCCCO[N-]C(=O)C[C@@H]1C[C@@H](C)c2c1cccc2C ZINC000805043407 626453355 /nfs/dbraw/zinc/45/33/55/626453355.db2.gz SCCBFNJUBWZADW-KGLIPLIRSA-N -1 3 291.391 3.060 20 0 CGADHM O=c1ccnc(C=Cc2ccc(OC(F)F)c(F)c2)[n-]1 ZINC000754683439 626582458 /nfs/dbraw/zinc/58/24/58/626582458.db2.gz BHARPTZLHJCHMS-RQOWECAXSA-N -1 3 282.221 3.093 20 0 CGADHM O=C(CCCc1ccsc1)[N-]OCc1ccc(F)cc1 ZINC000754725016 626584669 /nfs/dbraw/zinc/58/46/69/626584669.db2.gz ZTFSXCVLWMOSNA-UHFFFAOYSA-N -1 3 293.363 3.458 20 0 CGADHM O=C([O-])[C@@H](NCc1ccsc1)c1ccc(Cl)cc1 ZINC000756333715 626692957 /nfs/dbraw/zinc/69/29/57/626692957.db2.gz UJUOVPNOCQRJHF-LBPRGKRZSA-N -1 3 281.764 3.317 20 0 CGADHM O=C([N-][C@@H]1CCCc2occc21)C(F)(F)c1nccs1 ZINC000756435492 626705707 /nfs/dbraw/zinc/70/57/07/626705707.db2.gz BBIYPWGVUGQOPE-SECBINFHSA-N -1 3 298.314 3.022 20 0 CGADHM CC(=O)c1ccc(C(=O)N2CCC3(CCCC3)C2)cc1[O-] ZINC000839697561 626775915 /nfs/dbraw/zinc/77/59/15/626775915.db2.gz SUFUUMDGRXGJPD-UHFFFAOYSA-N -1 3 287.359 3.001 20 0 CGADHM O=S(=O)(Cc1ccc(Cl)s1)c1cccc([O-])c1 ZINC000757925190 626814745 /nfs/dbraw/zinc/81/47/45/626814745.db2.gz TTZQOAVLBJGFKU-UHFFFAOYSA-N -1 3 288.777 3.081 20 0 CGADHM CC1(CNC(=O)c2nnc3ccccc3c2[O-])CCCCC1 ZINC000758175042 626832373 /nfs/dbraw/zinc/83/23/73/626832373.db2.gz GENPOLZGMVNGBW-UHFFFAOYSA-N -1 3 299.374 3.036 20 0 CGADHM O=C(OCc1ncc(C2CC2)o1)c1cc2ccsc2[n-]1 ZINC000760469473 626972317 /nfs/dbraw/zinc/97/23/17/626972317.db2.gz DIWHODYSDQIUCG-UHFFFAOYSA-N -1 3 288.328 3.452 20 0 CGADHM CO/C(=C/c1ccccc1)C(=O)Nc1cc(F)ccc1[O-] ZINC000764622542 627215253 /nfs/dbraw/zinc/21/52/53/627215253.db2.gz ASBOBVFZTDZGHK-OQLLNIDSSA-N -1 3 287.290 3.157 20 0 CGADHM Cc1ccc(COC(=O)c2cc(Cl)c(Cl)[n-]2)nc1 ZINC000772258775 627778074 /nfs/dbraw/zinc/77/80/74/627778074.db2.gz CQMMBXUYDJDLNI-UHFFFAOYSA-N -1 3 285.130 3.382 20 0 CGADHM Cc1ccc(-c2cc(C(=O)OCc3ccc(C)cn3)n[n-]2)o1 ZINC000772264741 627779403 /nfs/dbraw/zinc/77/94/03/627779403.db2.gz YECTZRCKAIAXHB-UHFFFAOYSA-N -1 3 297.314 3.039 20 0 CGADHM Cc1ccc(-c2cc(C(=O)OCc3ccc(C)cn3)[n-]n2)o1 ZINC000772264741 627779406 /nfs/dbraw/zinc/77/94/06/627779406.db2.gz YECTZRCKAIAXHB-UHFFFAOYSA-N -1 3 297.314 3.039 20 0 CGADHM Cc1conc1[N-]C(=O)c1nc(-c2cccs2)oc1C ZINC000772562603 627802980 /nfs/dbraw/zinc/80/29/80/627802980.db2.gz OGZXUAIHJXZOGF-UHFFFAOYSA-N -1 3 289.316 3.260 20 0 CGADHM O=C(Cc1c[nH]c2cc(Cl)ccc12)[N-]OC1CCCC1 ZINC000774876319 628046094 /nfs/dbraw/zinc/04/60/94/628046094.db2.gz SPTVWEZUDAULRI-UHFFFAOYSA-N -1 3 292.766 3.354 20 0 CGADHM FC(F)(F)c1n[n-]c(CNc2nccc3sccc32)n1 ZINC000775542333 628104578 /nfs/dbraw/zinc/10/45/78/628104578.db2.gz NLIIHRFDNQLJLP-UHFFFAOYSA-N -1 3 299.281 3.045 20 0 CGADHM Cc1cc(=O)[n-]c(CSCc2ccc(CF)cc2)n1 ZINC000776898285 628239431 /nfs/dbraw/zinc/23/94/31/628239431.db2.gz SJSPUNOPMWOCSB-UHFFFAOYSA-N -1 3 278.352 3.394 20 0 CGADHM Cc1cccc2c(CC(=O)[N-]OC3CCCCC3)c[nH]c21 ZINC000777948307 628314201 /nfs/dbraw/zinc/31/42/01/628314201.db2.gz DEQKAQXZTSXOAU-UHFFFAOYSA-N -1 3 286.375 3.399 20 0 CGADHM O=C(CCCOc1ccc(F)cc1)[N-]OC1CCCCC1 ZINC000777960751 628314973 /nfs/dbraw/zinc/31/49/73/628314973.db2.gz CZVGDFGXLSETQS-UHFFFAOYSA-N -1 3 295.354 3.365 20 0 CGADHM O=C(OCc1ccc(Cl)cn1)c1cccc(Cl)c1[O-] ZINC000778137661 628328150 /nfs/dbraw/zinc/32/81/50/628328150.db2.gz LSOVKNMTKDCHJK-UHFFFAOYSA-N -1 3 298.125 3.451 20 0 CGADHM Cc1ccc(C=C2SC(=O)[N-]C2=O)cc1Br ZINC000874927404 634652552 /nfs/dbraw/zinc/65/25/52/634652552.db2.gz BZXCJYZJMWVDSD-WEVVVXLNSA-N -1 3 298.161 3.081 20 0 CGADHM CCCCCC[C@H](C)NC(=O)c1cccc2n[n-]nc21 ZINC000780978984 628527822 /nfs/dbraw/zinc/52/78/22/628527822.db2.gz MANVOYUIHUARGD-NSHDSACASA-N -1 3 274.368 3.047 20 0 CGADHM CCCCC[C@@H](C)CC(=O)Nc1cc(C(=O)OCC)n[n-]1 ZINC000781431571 628560200 /nfs/dbraw/zinc/56/02/00/628560200.db2.gz XXZLBSOXLQNAKS-LLVKDONJSA-N -1 3 295.383 3.131 20 0 CGADHM CCCCC[C@@H](C)CC(=O)Nc1cc(C(=O)OCC)[n-]n1 ZINC000781431571 628560203 /nfs/dbraw/zinc/56/02/03/628560203.db2.gz XXZLBSOXLQNAKS-LLVKDONJSA-N -1 3 295.383 3.131 20 0 CGADHM O=C(OCc1cccc(Cl)n1)c1cc2occc2[n-]1 ZINC000786032412 628908600 /nfs/dbraw/zinc/90/86/00/628908600.db2.gz BCFLMEZZWHMMTD-UHFFFAOYSA-N -1 3 276.679 3.166 20 0 CGADHM Cc1ccccc1COC(=O)c1cc2occc2[n-]1 ZINC000786032350 628908975 /nfs/dbraw/zinc/90/89/75/628908975.db2.gz ZNEHMEUUPLFTMZ-UHFFFAOYSA-N -1 3 255.273 3.426 20 0 CGADHM CN(C)c1ccc(COC(=O)c2cc3occc3[n-]2)cc1 ZINC000786033806 628909002 /nfs/dbraw/zinc/90/90/02/628909002.db2.gz NEQFTQFEUMGWAW-UHFFFAOYSA-N -1 3 284.315 3.184 20 0 CGADHM O=C(Cc1cccc(C(F)F)c1)[N-]OC1CCCC1 ZINC000790562203 629218178 /nfs/dbraw/zinc/21/81/78/629218178.db2.gz ZMHANYLQSBNZTL-UHFFFAOYSA-N -1 3 269.291 3.157 20 0 CGADHM O=C(Cc1ccc(Cl)c(F)c1)[N-]OCCC(F)(F)F ZINC000790569395 629218645 /nfs/dbraw/zinc/21/86/45/629218645.db2.gz WSMQLVWSKGXUDM-UHFFFAOYSA-N -1 3 299.651 3.022 20 0 CGADHM CCCn1cc(NC(=O)c2cc([O-])c3ccccc3c2)cn1 ZINC000792200739 629348923 /nfs/dbraw/zinc/34/89/23/629348923.db2.gz SYKYZLWQJVFJSX-UHFFFAOYSA-N -1 3 295.342 3.404 20 0 CGADHM CCCCCC[C@H](C)C(=O)NCc1ncccc1[O-] ZINC000792613503 629370848 /nfs/dbraw/zinc/37/08/48/629370848.db2.gz MYZPKKLDXIWCEW-LBPRGKRZSA-N -1 3 264.369 3.010 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)Cc1c(C)cccc1Cl ZINC000794848641 629588001 /nfs/dbraw/zinc/58/80/01/629588001.db2.gz DMBVBVXCODOJQG-SNVBAGLBSA-N -1 3 269.772 3.285 20 0 CGADHM CCc1cccc(CC(=O)[N-]OCc2ccccc2OC)c1 ZINC000799092334 630141808 /nfs/dbraw/zinc/14/18/08/630141808.db2.gz LCQZPIWQTWTGKF-UHFFFAOYSA-N -1 3 299.370 3.048 20 0 CGADHM Cc1ccccc1[C@@H](C)OC(=O)c1cc(F)cc2[n-]nnc21 ZINC000800261946 630256612 /nfs/dbraw/zinc/25/66/12/630256612.db2.gz CRTLDIGAOAAKLP-SNVBAGLBSA-N -1 3 299.305 3.323 20 0 CGADHM Cc1ccccc1[C@@H](C)OC(=O)c1cc(F)cc2nn[n-]c21 ZINC000800261946 630256616 /nfs/dbraw/zinc/25/66/16/630256616.db2.gz CRTLDIGAOAAKLP-SNVBAGLBSA-N -1 3 299.305 3.323 20 0 CGADHM Cc1ccccc1[C@@H](C)OC(=O)c1cc(F)cc2n[n-]nc21 ZINC000800261946 630256620 /nfs/dbraw/zinc/25/66/20/630256620.db2.gz CRTLDIGAOAAKLP-SNVBAGLBSA-N -1 3 299.305 3.323 20 0 CGADHM CC[C@](C)(CNC(=O)c1cc2sccc2c([O-])c1)OC ZINC000836823241 634808828 /nfs/dbraw/zinc/80/88/28/634808828.db2.gz HYBAMVRPBVWJBH-OAHLLOKOSA-N -1 3 293.388 3.152 20 0 CGADHM C[C@H]1c2ccc(Cl)n2CCN1C(=O)c1ccccc1[O-] ZINC000808254537 630633212 /nfs/dbraw/zinc/63/32/12/630633212.db2.gz KSUAGIRESCGVDP-JTQLQIEISA-N -1 3 290.750 3.064 20 0 CGADHM CC(C)=CCO[N-]C(=O)Cc1cccc2ccccc21 ZINC000808256515 630633883 /nfs/dbraw/zinc/63/38/83/630633883.db2.gz CNGQZVAXHOVFJO-UHFFFAOYSA-N -1 3 269.344 3.396 20 0 CGADHM COc1cccc2c(C(=O)O[C@H](C)c3ccccc3)n[n-]c21 ZINC000808673645 630663363 /nfs/dbraw/zinc/66/33/63/630663363.db2.gz GWVDLGUCTDLWMN-LLVKDONJSA-N -1 3 296.326 3.490 20 0 CGADHM COc1cccc2c1n[n-]c2C(=O)O[C@H](C)c1ccccc1 ZINC000808673645 630663366 /nfs/dbraw/zinc/66/33/66/630663366.db2.gz GWVDLGUCTDLWMN-LLVKDONJSA-N -1 3 296.326 3.490 20 0 CGADHM CC1(C)CC[C@H](OC(=O)c2cc(Cl)c(Cl)[n-]2)C1=O ZINC000840196938 630867128 /nfs/dbraw/zinc/86/71/28/630867128.db2.gz QAVJVLSTDASCHE-QMMMGPOBSA-N -1 3 290.146 3.236 20 0 CGADHM Cc1cccc(F)c1CNC(=O)c1cc([O-])ccc1Cl ZINC000810447847 630878823 /nfs/dbraw/zinc/87/88/23/630878823.db2.gz SEYMTZWVHBGGFA-UHFFFAOYSA-N -1 3 293.725 3.423 20 0 CGADHM O=C(OC[C@H]1CCOC1)c1cc2cc(Cl)sc2[n-]1 ZINC000810544602 630890423 /nfs/dbraw/zinc/89/04/23/630890423.db2.gz YYMJHZWCRLUTNI-ZETCQYMHSA-N -1 3 285.752 3.076 20 0 CGADHM O=C(OCCCF)c1cc2cc(Cl)sc2[n-]1 ZINC000810594465 630899733 /nfs/dbraw/zinc/89/97/33/630899733.db2.gz FNECWDBPCSSRSI-UHFFFAOYSA-N -1 3 261.705 3.399 20 0 CGADHM CO[C@@H](C)COC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000810634848 630913564 /nfs/dbraw/zinc/91/35/64/630913564.db2.gz OSCWHSFPTFVFHC-LURJTMIESA-N -1 3 273.741 3.075 20 0 CGADHM O=C(OCc1ncccn1)c1cc2cc(Cl)sc2[n-]1 ZINC000811393425 631061337 /nfs/dbraw/zinc/06/13/37/631061337.db2.gz IFQUSQUHUIVPSF-UHFFFAOYSA-N -1 3 293.735 3.030 20 0 CGADHM O=C(N[C@@H]1CCCC1(F)F)c1cc([O-])c2ccccc2c1 ZINC000811530237 631084725 /nfs/dbraw/zinc/08/47/25/631084725.db2.gz YKQKJVARIJQSML-CQSZACIVSA-N -1 3 291.297 3.463 20 0 CGADHM O=C(Cc1c[nH]c2ccc(Cl)cc12)[N-]OC/C=C\Cl ZINC000812399771 631244391 /nfs/dbraw/zinc/24/43/91/631244391.db2.gz BBACZWICJPSFIQ-RJRFIUFISA-N -1 3 299.157 3.164 20 0 CGADHM O=C(CCc1ccccc1Cl)[N-]OC/C=C\Cl ZINC000812398596 631244647 /nfs/dbraw/zinc/24/46/47/631244647.db2.gz UPPWXIZMXKKEBY-BAQGIRSFSA-N -1 3 274.147 3.073 20 0 CGADHM CC(C)=C[C@@H]1[C@@H](C(=O)[N-]OC/C=C/Cl)C1(C)C ZINC000812400766 631246037 /nfs/dbraw/zinc/24/60/37/631246037.db2.gz CJBHZXVXTABGTI-PVTPVBHGSA-N -1 3 257.761 3.025 20 0 CGADHM O=C(Cc1cccc(Cl)c1Cl)[N-]OC1CCC1 ZINC000812792643 631310509 /nfs/dbraw/zinc/31/05/09/631310509.db2.gz FPCSTSLDJHYKHO-UHFFFAOYSA-N -1 3 274.147 3.136 20 0 CGADHM CC(C)OCCO[N-]C(=O)CCC(C)(C)c1ccccc1 ZINC000812801487 631315456 /nfs/dbraw/zinc/31/54/56/631315456.db2.gz JUFFMIMEXUTNBY-UHFFFAOYSA-N -1 3 293.407 3.217 20 0 CGADHM [O-]c1cccc(CNCc2ccc(Cl)nc2)c1Cl ZINC000815115714 631720381 /nfs/dbraw/zinc/72/03/81/631720381.db2.gz MAQSEWLEQHEFHJ-UHFFFAOYSA-N -1 3 283.158 3.384 20 0 CGADHM COCc1ccc(COC(=O)c2cc3occc3[n-]2)cc1 ZINC000815239864 631748272 /nfs/dbraw/zinc/74/82/72/631748272.db2.gz UHHGZQNLZAGORM-UHFFFAOYSA-N -1 3 285.299 3.264 20 0 CGADHM Cc1ccc(CCC(=O)[N-]OCCC2CC2)cc1Cl ZINC000817383794 632135734 /nfs/dbraw/zinc/13/57/34/632135734.db2.gz UZNMGIXWCZWUOE-UHFFFAOYSA-N -1 3 281.783 3.429 20 0 CGADHM CC(C)C[C@H]1CCCCCN1C(=O)c1ccc(N)cc1[O-] ZINC000817950799 632247062 /nfs/dbraw/zinc/24/70/62/632247062.db2.gz ZFQMHTRWCDPAED-CQSZACIVSA-N -1 3 290.407 3.405 20 0 CGADHM CCC[C@@H]1[C@H](C)CCCN1C(=O)c1ccc(N)cc1[O-] ZINC000817954050 632249465 /nfs/dbraw/zinc/24/94/65/632249465.db2.gz AUVBKYQAADVOJC-BXUZGUMPSA-N -1 3 276.380 3.015 20 0 CGADHM CCCO[N-]C(=O)CCCCCc1ccc(F)cc1 ZINC000844088344 635819793 /nfs/dbraw/zinc/81/97/93/635819793.db2.gz STJKBTUKWTXRLI-UHFFFAOYSA-N -1 3 267.344 3.386 20 0 CGADHM CC1(C(=O)Nc2cc(Cl)ccc2[O-])CC(F)(F)C1 ZINC000821142944 632730262 /nfs/dbraw/zinc/73/02/62/632730262.db2.gz ILEFLRKMIMVXIA-UHFFFAOYSA-N -1 3 275.682 3.420 20 0 CGADHM CCC(F)(F)C(=O)[N-]Cc1ccc(OC(F)F)cc1F ZINC000825695603 633375090 /nfs/dbraw/zinc/37/50/90/633375090.db2.gz LRNIPLRZCGDVCZ-UHFFFAOYSA-N -1 3 297.223 3.089 20 0 CGADHM Fc1ccc(SCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826375799 633408395 /nfs/dbraw/zinc/40/83/95/633408395.db2.gz CADNDBFJCCUJIF-UHFFFAOYSA-N -1 3 286.335 3.298 20 0 CGADHM Fc1ccc(SCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826375799 633408412 /nfs/dbraw/zinc/40/84/12/633408412.db2.gz CADNDBFJCCUJIF-UHFFFAOYSA-N -1 3 286.335 3.298 20 0 CGADHM CC(Cl)(Cl)C(=O)[N-][C@@H](CF)c1ccc(F)cc1 ZINC000828098163 633560136 /nfs/dbraw/zinc/56/01/36/633560136.db2.gz RVTRWDZOSHFOOU-VIFPVBQESA-N -1 3 282.117 3.146 20 0 CGADHM CCCCC1(C(=O)[N-]OCCCC(F)(F)F)CC1 ZINC000828335968 633606334 /nfs/dbraw/zinc/60/63/34/633606334.db2.gz KQHLQAAYDZEEQO-UHFFFAOYSA-N -1 3 267.291 3.347 20 0 CGADHM O=C(C[C@@H]1CCCC1(F)F)[N-]OCCCC(F)(F)F ZINC000828335915 633606343 /nfs/dbraw/zinc/60/63/43/633606343.db2.gz IYJJYALFHQJERA-QMMMGPOBSA-N -1 3 289.244 3.202 20 0 CGADHM CCCC[C@](C)(F)C(=O)NCc1ccc([O-])c(F)c1 ZINC000830548736 633870434 /nfs/dbraw/zinc/87/04/34/633870434.db2.gz JSXXDJOCDSIUNF-AWEZNQCLSA-N -1 3 271.307 3.066 20 0 CGADHM COC[C@H](N[C@@H](C)c1cccc([O-])c1F)c1ccc(C)o1 ZINC000872041160 633963372 /nfs/dbraw/zinc/96/33/72/633963372.db2.gz QJFHIAJADMFXLU-AAEUAGOBSA-N -1 3 293.338 3.471 20 0 CGADHM C[C@@H](N[C@@H]1CCCC1(F)F)c1cccc([O-])c1F ZINC000872069996 633991705 /nfs/dbraw/zinc/99/17/05/633991705.db2.gz BGLQUIKFIRYTES-LDYMZIIASA-N -1 3 259.271 3.370 20 0 CGADHM CCn1cc([C@H](C)N[C@@H](C)c2cccc([O-])c2F)cn1 ZINC000872077703 634000441 /nfs/dbraw/zinc/00/04/41/634000441.db2.gz LIVWILDYMUGPKZ-QWRGUYRKSA-N -1 3 277.343 3.160 20 0 CGADHM C[C@@H](N[C@@H]1CCCC[C@@H]1F)c1cccc([O-])c1F ZINC000872092614 634018126 /nfs/dbraw/zinc/01/81/26/634018126.db2.gz PMTWAJHZHDBUCK-ADEWGFFLSA-N -1 3 255.308 3.463 20 0 CGADHM O=C(c1cc2sccc2c([O-])c1)N1CC[C@@H]1C1CC1 ZINC000834319129 634140734 /nfs/dbraw/zinc/14/07/34/634140734.db2.gz QJSWNUXEDMNYLZ-GFCCVEGCSA-N -1 3 273.357 3.231 20 0 CGADHM CSc1ccc([O-])c(C(=O)N[C@@H]2CCS[C@H](C)C2)c1 ZINC000834625968 634201440 /nfs/dbraw/zinc/20/14/40/634201440.db2.gz GGFRLIHVQVUIOL-NXEZZACHSA-N -1 3 297.445 3.128 20 0 CGADHM O=C(NCCC[C@@H]1C=CCC1)NCc1ccc([O-])c(F)c1 ZINC000873134688 634254785 /nfs/dbraw/zinc/25/47/85/634254785.db2.gz BXZNUTKCCBELQN-GFCCVEGCSA-N -1 3 292.354 3.077 20 0 CGADHM CC(C)Cc1ccccc1-c1nc(-c2cc(=O)[n-]cn2)no1 ZINC000843027030 635547011 /nfs/dbraw/zinc/54/70/11/635547011.db2.gz UISWGKAXFOYBBU-UHFFFAOYSA-N -1 3 296.330 3.098 20 0 CGADHM CCCO[N-]C(=O)CCCCCc1cccs1 ZINC000844085895 635818336 /nfs/dbraw/zinc/81/83/36/635818336.db2.gz FMMNZBLGMARBLH-UHFFFAOYSA-N -1 3 255.383 3.309 20 0 CGADHM COC(=O)c1cnc(SCC[C@H]2CCCC2(F)F)[n-]1 ZINC000882155513 636272315 /nfs/dbraw/zinc/27/23/15/636272315.db2.gz IOTQDIVEEUIYAT-MRVPVSSYSA-N -1 3 290.335 3.114 20 0 CGADHM CC(C)(C)CC(=O)[N-]OCc1nsc2ccccc12 ZINC000882992839 636496211 /nfs/dbraw/zinc/49/62/11/636496211.db2.gz SDWPHXPEZHLNOI-UHFFFAOYSA-N -1 3 278.377 3.280 20 0 CGADHM O=c1ccnc(C=Cc2csc(-c3ccc(F)cc3)n2)[n-]1 ZINC000131806336 636754432 /nfs/dbraw/zinc/75/44/32/636754432.db2.gz IIUJCEFITBUZBW-AATRIKPKSA-N -1 3 299.330 3.203 20 0 CGADHM CC(C)[C@@H](C)O[N-]C(=O)Cc1cccc2ccccc21 ZINC000853668925 637887929 /nfs/dbraw/zinc/88/79/29/637887929.db2.gz FWPMXRKUPOCKKD-CYBMUJFWSA-N -1 3 271.360 3.475 20 0 CGADHM O=C([N-]OCc1ccccc1)C12CC3CC(CC(C3)C1)C2 ZINC000010318830 638203880 /nfs/dbraw/zinc/20/38/80/638203880.db2.gz GLQPEJPANGHDIK-UHFFFAOYSA-N -1 3 285.387 3.451 20 0 CGADHM Cc1ccc2[nH]cc(CCC(=O)[N-]OCC3CCC3)c2c1 ZINC000856348111 638348274 /nfs/dbraw/zinc/34/82/74/638348274.db2.gz PVKIQPHBWROQFQ-UHFFFAOYSA-N -1 3 286.375 3.257 20 0 CGADHM CC12CC(C1)CN2C(=O)c1cc([O-])c2ccccc2c1 ZINC000856512507 638371089 /nfs/dbraw/zinc/37/10/89/638371089.db2.gz IWBSTMACPMVAMH-UHFFFAOYSA-N -1 3 267.328 3.170 20 0 CGADHM O=C(NOC1CCCC1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000857168962 638466296 /nfs/dbraw/zinc/46/62/96/638466296.db2.gz IKFBWXUIXHZBRI-UHFFFAOYSA-N -1 3 289.253 3.015 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)N[C@@H](C)c2ccc(F)cc2C)n1 ZINC000932562847 639355074 /nfs/dbraw/zinc/35/50/74/639355074.db2.gz TVRIKOJSSGQQQT-NWDGAFQWSA-N -1 3 289.354 3.350 20 0 CGADHM C[C@@H]1CCC[C@@H](CN2Cc3ccccc3[C@H](C(=O)[O-])C2)C1 ZINC000089628785 640653457 /nfs/dbraw/zinc/65/34/57/640653457.db2.gz NYNHRZRFUKYLLN-CKEIUWERSA-N -1 3 287.403 3.497 20 0 CGADHM COc1ccc([C@@H](C)NCc2cc(C(=O)[O-])cs2)cc1 ZINC000095005457 640808196 /nfs/dbraw/zinc/80/81/96/640808196.db2.gz SLRJETZTORFYML-SNVBAGLBSA-N -1 3 291.372 3.306 20 0 CGADHM COC(=O)c1ccc(Nc2cccc(Cl)c2[O-])cc1N ZINC001250340536 805584907 /nfs/dbraw/zinc/58/49/07/805584907.db2.gz WELOHGPVVOZKNO-UHFFFAOYSA-N -1 3 292.722 3.158 20 0 CGADHM CCc1ccc(C(=O)NC[C@H](C)C(C)(C)C)c([O-])c1 ZINC001155556395 805590508 /nfs/dbraw/zinc/59/05/08/805590508.db2.gz VNFWUZOGDWZZFK-NSHDSACASA-N -1 3 263.381 3.367 20 0 CGADHM CSc1ccc([N-]S(=O)(=O)c2ccccc2)c(F)c1 ZINC001251152143 805856576 /nfs/dbraw/zinc/85/65/76/805856576.db2.gz WCYJIQAZOLYVLO-UHFFFAOYSA-N -1 3 297.376 3.348 20 0 CGADHM CSc1ccnc(Cl)c1NCc1ncccc1[O-] ZINC001158773712 806002045 /nfs/dbraw/zinc/00/20/45/806002045.db2.gz AHBIAZOMSDTKCR-UHFFFAOYSA-N -1 3 281.768 3.170 20 0 CGADHM [O-]c1cccnc1CNc1nnc(Cl)c2ccsc21 ZINC001158770783 806002292 /nfs/dbraw/zinc/00/22/92/806002292.db2.gz MIQWLDWOVIMKQY-UHFFFAOYSA-N -1 3 292.751 3.057 20 0 CGADHM CSc1ccc([O-])c(C(=O)N[C@@H]2C[C@@H]3CCC[C@@H]23)c1 ZINC001158945683 806025554 /nfs/dbraw/zinc/02/55/54/806025554.db2.gz GMRRCYKIFFVWIN-UFGOTCBOSA-N -1 3 277.389 3.033 20 0 CGADHM CCOc1ccc(Nc2cccc(Cl)c2[O-])c(N)n1 ZINC001159410621 806096497 /nfs/dbraw/zinc/09/64/97/806096497.db2.gz XOBPHJVVWSVAPM-UHFFFAOYSA-N -1 3 279.727 3.165 20 0 CGADHM Cc1cc([O-])c(-c2nnc(-c3ccccc3)o2)c(O)c1 ZINC001253131277 806178633 /nfs/dbraw/zinc/17/86/33/806178633.db2.gz RAQMMMRERQSUIG-UHFFFAOYSA-N -1 3 268.272 3.123 20 0 CGADHM [O-]c1ccc(O)cc1-c1nnc([C@H]2C[C@H]2c2ccccc2)o1 ZINC001254682858 806485219 /nfs/dbraw/zinc/48/52/19/806485219.db2.gz NDPLCQAPDGCVFA-STQMWFEESA-N -1 3 294.310 3.419 20 0 CGADHM [O-]c1ccc(Cl)c(-c2nnc(C3CCC3)o2)c1 ZINC001255161759 806560217 /nfs/dbraw/zinc/56/02/17/806560217.db2.gz WCHSFNOKFLJBHC-UHFFFAOYSA-N -1 3 250.685 3.363 20 0 CGADHM CC(C)c1ccc(S(=O)(=O)[N-]c2cnccc2F)cc1 ZINC001255288081 806594226 /nfs/dbraw/zinc/59/42/26/806594226.db2.gz CEJZHCWRFHSKBJ-UHFFFAOYSA-N -1 3 294.351 3.145 20 0 CGADHM [O-]c1cccc(CN2CC[C@@H](C(F)(F)F)C2)c1Cl ZINC000328472411 799253144 /nfs/dbraw/zinc/25/31/44/799253144.db2.gz NNOPATQWJSCKTR-SECBINFHSA-N -1 3 279.689 3.430 20 0 CGADHM C[C@H](CSc1ccc(F)cc1)N[C@H]1[CH]CC=C1 ZINC001255739898 806731064 /nfs/dbraw/zinc/73/10/64/806731064.db2.gz MCTAVFRFVWRBTD-DGCLKSJQSA-N -1 3 250.362 3.429 20 0 CGADHM CC(C)(C)OC(=O)CCNc1ccc2c(c1)[N-]C(=S)C2 ZINC001163415477 806761144 /nfs/dbraw/zinc/76/11/44/806761144.db2.gz IYRKIHSSXBDUJB-UHFFFAOYSA-N -1 3 292.404 3.126 20 0 CGADHM CS[C@@H]1CC[C@H](N(C)C(=O)c2c(C)cccc2[O-])C1 ZINC000706637585 799964582 /nfs/dbraw/zinc/96/45/82/799964582.db2.gz PGJMFGGNERMUJZ-NWDGAFQWSA-N -1 3 279.405 3.057 20 0 CGADHM C[C@@H]1CN(Cc2cc(F)cc(Cl)c2)C[C@@]1(C)C(=O)[O-] ZINC000710301938 800032954 /nfs/dbraw/zinc/03/29/54/800032954.db2.gz LRIJYGGNMBZMDU-YMTOWFKASA-N -1 3 285.746 3.022 20 0 CGADHM CCCOc1ccc(-c2nnc(-c3ccc([O-])cn3)o2)cc1 ZINC001256236425 806853693 /nfs/dbraw/zinc/85/36/93/806853693.db2.gz YEKVPNGOYBDUCR-UHFFFAOYSA-N -1 3 297.314 3.293 20 0 CGADHM CC(C)Cc1nnc(-c2cc([O-])ccc2Br)o1 ZINC001256511738 806907899 /nfs/dbraw/zinc/90/78/99/806907899.db2.gz JMNSWVGODMZJSF-UHFFFAOYSA-N -1 3 297.152 3.403 20 0 CGADHM O=C([N-]CCNc1cccc(C2CCC2)c1)C(F)(F)F ZINC001164250972 806923622 /nfs/dbraw/zinc/92/36/22/806923622.db2.gz JGXZXVPQHGSWHC-UHFFFAOYSA-N -1 3 286.297 3.045 20 0 CGADHM Cc1ccc2ncc([O-])c(-c3nnc([C@@H]4C[C@@H]4C)o3)c2c1 ZINC001256644051 806937587 /nfs/dbraw/zinc/93/75/87/806937587.db2.gz CGHWBLBGFMHJDU-VHSXEESVSA-N -1 3 281.315 3.422 20 0 CGADHM CC(C)(C)O[N-]C(=O)[C@H]1[C@@H]2c3ccc(Cl)cc3C[C@H]12 ZINC001118967873 802622232 /nfs/dbraw/zinc/62/22/32/802622232.db2.gz MNSJRTOBEMQGSI-YNEHKIRRSA-N -1 3 279.767 3.072 20 0 CGADHM CC(C)C[C@](C)(CNCc1csc(C(C)C)n1)C(=O)[O-] ZINC001120088131 802734651 /nfs/dbraw/zinc/73/46/51/802734651.db2.gz YBZLBUFFNXGWBL-OAHLLOKOSA-N -1 3 298.452 3.493 20 0 CGADHM Cc1cccc(S(=O)(=O)[N-]c2ccc(C)nc2Cl)c1 ZINC001256869129 806995262 /nfs/dbraw/zinc/99/52/62/806995262.db2.gz NEELEJHRLPAJRM-UHFFFAOYSA-N -1 3 296.779 3.153 20 0 CGADHM CC(C)(C)c1cc(-c2ccc(Cc3nnn[n-]3)cc2)ccn1 ZINC001244023126 803146525 /nfs/dbraw/zinc/14/65/25/803146525.db2.gz NBSSSFFBXPSVBL-UHFFFAOYSA-N -1 3 293.374 3.150 20 0 CGADHM CC(C)(C)c1cc(-c2ccc(Cc3nn[n-]n3)cc2)ccn1 ZINC001244023126 803146533 /nfs/dbraw/zinc/14/65/33/803146533.db2.gz NBSSSFFBXPSVBL-UHFFFAOYSA-N -1 3 293.374 3.150 20 0 CGADHM COCOc1cnc(F)cc1-c1c([O-])cccc1Cl ZINC001244033089 803152171 /nfs/dbraw/zinc/15/21/71/803152171.db2.gz MSOVPKQKKKTTQJ-UHFFFAOYSA-N -1 3 283.686 3.229 20 0 CGADHM Cc1cc(-c2c([O-])cccc2Cl)c2ncnn2c1 ZINC001244033840 803152660 /nfs/dbraw/zinc/15/26/60/803152660.db2.gz SRGZPTWDPQHOSC-UHFFFAOYSA-N -1 3 259.696 3.064 20 0 CGADHM CS(=O)(=O)c1ccccc1-c1c([O-])cccc1Cl ZINC001244051304 803161246 /nfs/dbraw/zinc/16/12/46/803161246.db2.gz UPYKAPBFOXFCAU-UHFFFAOYSA-N -1 3 282.748 3.116 20 0 CGADHM COc1ccc(-c2cc(F)c([O-])c(F)c2)cc1CN(C)C ZINC001244096271 803184246 /nfs/dbraw/zinc/18/42/46/803184246.db2.gz GPLUKZSPKGYZNZ-UHFFFAOYSA-N -1 3 293.313 3.408 20 0 CGADHM CC(C)c1ccc(N)c(-c2ccc(Cc3nnn[n-]3)cc2)c1 ZINC001244227408 803249552 /nfs/dbraw/zinc/24/95/52/803249552.db2.gz CPFXWVIJQZKINO-UHFFFAOYSA-N -1 3 293.374 3.163 20 0 CGADHM CC(C)c1ccc(N)c(-c2ccc(Cc3nn[n-]n3)cc2)c1 ZINC001244227408 803249556 /nfs/dbraw/zinc/24/95/56/803249556.db2.gz CPFXWVIJQZKINO-UHFFFAOYSA-N -1 3 293.374 3.163 20 0 CGADHM Cc1ccc2oc(C(=O)[N-]c3ccnc(F)c3F)cc2n1 ZINC001131211072 803316475 /nfs/dbraw/zinc/31/64/75/803316475.db2.gz XCVRMYAGBVHOMT-UHFFFAOYSA-N -1 3 289.241 3.062 20 0 CGADHM O=c1cc(Cl)[nH]cc1Nc1cccc(F)c1[O-] ZINC001210195926 814333036 /nfs/dbraw/zinc/33/30/36/814333036.db2.gz SFFGVBHBEXSUSO-UHFFFAOYSA-N -1 3 254.648 3.029 20 0 CGADHM CN(C)c1ccc(-c2ccccc2-c2nnn[n-]2)cc1Cl ZINC001244411660 803358870 /nfs/dbraw/zinc/35/88/70/803358870.db2.gz JUMBNOLSOWGGBH-UHFFFAOYSA-N -1 3 299.765 3.253 20 0 CGADHM CN(C)c1ccc(-c2ccccc2-c2nn[n-]n2)cc1Cl ZINC001244411660 803358879 /nfs/dbraw/zinc/35/88/79/803358879.db2.gz JUMBNOLSOWGGBH-UHFFFAOYSA-N -1 3 299.765 3.253 20 0 CGADHM COc1cccc(-c2cc(OC(F)(F)F)ccc2[O-])n1 ZINC001244457319 803379816 /nfs/dbraw/zinc/37/98/16/803379816.db2.gz ZJXLUKARPICDKQ-UHFFFAOYSA-N -1 3 285.221 3.361 20 0 CGADHM COc1cnc(F)cc1-c1ccc(Cl)cc1[O-] ZINC001244470054 803385859 /nfs/dbraw/zinc/38/58/59/803385859.db2.gz XIFVBTWHMBRVAU-UHFFFAOYSA-N -1 3 253.660 3.255 20 0 CGADHM COCCOc1cncc(-c2ccc(Cl)cc2[O-])c1 ZINC001244471541 803386814 /nfs/dbraw/zinc/38/68/14/803386814.db2.gz HRSASRJRSKZCJN-UHFFFAOYSA-N -1 3 279.723 3.133 20 0 CGADHM CN1CCc2ccc(-c3ccc(Cl)cc3[O-])cc2C1=O ZINC001244471593 803387405 /nfs/dbraw/zinc/38/74/05/803387405.db2.gz ISERQLZBKMMKDM-UHFFFAOYSA-N -1 3 287.746 3.341 20 0 CGADHM CS(=O)(=O)Nc1cccc(-c2ccc(Cl)cc2[O-])c1 ZINC001244471091 803387489 /nfs/dbraw/zinc/38/74/89/803387489.db2.gz CMJVJRMRDUFVAY-UHFFFAOYSA-N -1 3 297.763 3.084 20 0 CGADHM Cc1nnc2ccc(-c3ccc(Cl)cc3[O-])cn12 ZINC001244472006 803389123 /nfs/dbraw/zinc/38/91/23/803389123.db2.gz JTWVEIMFAZQKMG-UHFFFAOYSA-N -1 3 259.696 3.064 20 0 CGADHM Cc1cc(-c2cc3c(nn2)CC[C@@H](C)C3)cc([O-])c1F ZINC001244506882 803411110 /nfs/dbraw/zinc/41/11/10/803411110.db2.gz JLGBSDOEZVREOR-SECBINFHSA-N -1 3 272.323 3.422 20 0 CGADHM CC(=O)Nc1ccccc1-c1cc(C)c(F)c([O-])c1 ZINC001244521980 803414756 /nfs/dbraw/zinc/41/47/56/803414756.db2.gz ZNHAXOKXHPUPOZ-UHFFFAOYSA-N -1 3 259.280 3.465 20 0 CGADHM Cc1cc(-c2ccc(=O)n(C(C)C)c2)cc([O-])c1F ZINC001244524353 803417304 /nfs/dbraw/zinc/41/73/04/803417304.db2.gz CFZVXNTZPTYFBF-UHFFFAOYSA-N -1 3 261.296 3.249 20 0 CGADHM Cc1cc(-c2cccc3nncn32)cc(Cl)c1[O-] ZINC001244538211 803425270 /nfs/dbraw/zinc/42/52/70/803425270.db2.gz SFMIWJNOMFSUEB-UHFFFAOYSA-N -1 3 259.696 3.064 20 0 CGADHM Cc1cc(-c2ccc3c(c2)C(=O)NC3)cc(Cl)c1[O-] ZINC001244538862 803426460 /nfs/dbraw/zinc/42/64/60/803426460.db2.gz YVAPPZVYRBVMRZ-UHFFFAOYSA-N -1 3 273.719 3.264 20 0 CGADHM CSc1ncc(C)cc1-c1ccc(C)c(-c2nnn[n-]2)c1 ZINC001244885986 803562612 /nfs/dbraw/zinc/56/26/12/803562612.db2.gz YBDTUPHXTWGAFE-UHFFFAOYSA-N -1 3 297.387 3.267 20 0 CGADHM CSc1ncc(C)cc1-c1ccc(C)c(-c2nn[n-]n2)c1 ZINC001244885986 803562615 /nfs/dbraw/zinc/56/26/15/803562615.db2.gz YBDTUPHXTWGAFE-UHFFFAOYSA-N -1 3 297.387 3.267 20 0 CGADHM Cc1c(F)ccc(F)c1-c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001244985276 803604432 /nfs/dbraw/zinc/60/44/32/803604432.db2.gz LWFRUELCYQEVST-UHFFFAOYSA-N -1 3 290.248 3.259 20 0 CGADHM Cc1c(F)ccc(F)c1-c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001244985276 803604434 /nfs/dbraw/zinc/60/44/34/803604434.db2.gz LWFRUELCYQEVST-UHFFFAOYSA-N -1 3 290.248 3.259 20 0 CGADHM NC(=O)c1cc(F)c(-c2cc(Cl)ccc2[O-])cc1F ZINC001245054180 803624112 /nfs/dbraw/zinc/62/41/12/803624112.db2.gz BTCGUXZJIILYES-UHFFFAOYSA-N -1 3 283.661 3.090 20 0 CGADHM CCN(CC)c1cncc(-c2ccc([O-])cc2Cl)n1 ZINC001245078523 803633883 /nfs/dbraw/zinc/63/38/83/803633883.db2.gz OPMRENBZMNQLDB-UHFFFAOYSA-N -1 3 277.755 3.349 20 0 CGADHM Cc1nc2cccnc2c(-c2ccc([O-])cc2Cl)n1 ZINC001245077532 803634034 /nfs/dbraw/zinc/63/40/34/803634034.db2.gz BBKCVXCINRAUMV-UHFFFAOYSA-N -1 3 271.707 3.359 20 0 CGADHM [O-]c1ccc(-c2nccnc2OC(F)F)c(Cl)c1 ZINC001245080688 803635554 /nfs/dbraw/zinc/63/55/54/803635554.db2.gz VDLOGLIWYQDMEU-UHFFFAOYSA-N -1 3 272.638 3.104 20 0 CGADHM [O-]c1ccc(-c2cnc3c(n2)CCCC3)c(Cl)c1 ZINC001245080748 803635786 /nfs/dbraw/zinc/63/57/86/803635786.db2.gz WOIARRIMRGLLRE-UHFFFAOYSA-N -1 3 260.724 3.381 20 0 CGADHM O=c1c(-c2ccc([O-])cc2Cl)cccn1-c1cccnc1 ZINC001245083028 803637422 /nfs/dbraw/zinc/63/74/22/803637422.db2.gz JZKYDWJTYFNJDG-UHFFFAOYSA-N -1 3 298.729 3.259 20 0 CGADHM [O-]c1ccc(-c2ncnc3c2CCCC3)c(Cl)c1 ZINC001245082517 803637477 /nfs/dbraw/zinc/63/74/77/803637477.db2.gz WJURGPPPYXHWHL-UHFFFAOYSA-N -1 3 260.724 3.381 20 0 CGADHM Fc1ccc(Cl)c(-c2cc(F)cc(-c3nnn[n-]3)c2)c1 ZINC001245135658 803648221 /nfs/dbraw/zinc/64/82/21/803648221.db2.gz DRWDBJQTGYJQCN-UHFFFAOYSA-N -1 3 292.676 3.465 20 0 CGADHM Fc1ccc(Cl)c(-c2cc(F)cc(-c3nn[n-]n3)c2)c1 ZINC001245135658 803648223 /nfs/dbraw/zinc/64/82/23/803648223.db2.gz DRWDBJQTGYJQCN-UHFFFAOYSA-N -1 3 292.676 3.465 20 0 CGADHM O=C(C/C=C/Cc1ccccc1)NCc1ccc([O-])c(F)c1 ZINC001137441629 803733670 /nfs/dbraw/zinc/73/36/70/803733670.db2.gz JMPNGHIDPABUDU-SNAWJCMRSA-N -1 3 299.345 3.337 20 0 CGADHM Cc1cc(F)cc(C(=O)Nc2ccc(Cl)cc2[O-])c1N ZINC001138015260 803826196 /nfs/dbraw/zinc/82/61/96/803826196.db2.gz XQTLNCJIDXGNHJ-UHFFFAOYSA-N -1 3 294.713 3.328 20 0 CGADHM Fc1ccc2[nH]c(-c3ccc(Cc4nnn[n-]4)cc3)cc2c1 ZINC001245575340 803827840 /nfs/dbraw/zinc/82/78/40/803827840.db2.gz FDZFVXDXVMEUKY-UHFFFAOYSA-N -1 3 293.305 3.078 20 0 CGADHM Fc1ccc2[nH]c(-c3ccc(Cc4nn[n-]n4)cc3)cc2c1 ZINC001245575340 803827849 /nfs/dbraw/zinc/82/78/49/803827849.db2.gz FDZFVXDXVMEUKY-UHFFFAOYSA-N -1 3 293.305 3.078 20 0 CGADHM O=c1cc(Nc2cccc(OC(F)F)c2)nc(C2CC2)[n-]1 ZINC001212054113 814970557 /nfs/dbraw/zinc/97/05/57/814970557.db2.gz NSZAGDPTIPUWNZ-UHFFFAOYSA-N -1 3 293.273 3.405 20 0 CGADHM O=C1CCc2ccc(-c3c([O-])cccc3F)cc2N1 ZINC001245653114 803884644 /nfs/dbraw/zinc/88/46/44/803884644.db2.gz KUUYTCJTKRZDHY-UHFFFAOYSA-N -1 3 257.264 3.083 20 0 CGADHM COC(=O)c1cccc(-c2c([O-])cccc2F)c1F ZINC001245654028 803886068 /nfs/dbraw/zinc/88/60/68/803886068.db2.gz CZVOJQSQVZRSSR-UHFFFAOYSA-N -1 3 264.227 3.124 20 0 CGADHM CC(=O)Nc1ccc(F)cc1-c1c([O-])cccc1F ZINC001245655176 803887907 /nfs/dbraw/zinc/88/79/07/803887907.db2.gz WFBHVIHIFSPDHY-UHFFFAOYSA-N -1 3 263.243 3.296 20 0 CGADHM [O-]c1cccc(F)c1-c1ccc2ncnn2c1C(F)(F)F ZINC001245657438 803891676 /nfs/dbraw/zinc/89/16/76/803891676.db2.gz NLWWGGASUJBZLN-UHFFFAOYSA-N -1 3 297.211 3.260 20 0 CGADHM [O-]c1cccnc1CN1CCC[C@H]1c1cc(F)ccc1F ZINC001138395151 803912302 /nfs/dbraw/zinc/91/23/02/803912302.db2.gz UXEJSWLGLDNLCL-HNNXBMFYSA-N -1 3 290.313 3.403 20 0 CGADHM Cc1c(F)ccc(-c2cc(-c3nnn[n-]3)ccc2F)c1F ZINC001245693686 803914071 /nfs/dbraw/zinc/91/40/71/803914071.db2.gz ZKENQCAPALSRPC-UHFFFAOYSA-N -1 3 290.248 3.259 20 0 CGADHM Cc1c(F)ccc(-c2cc(-c3nn[n-]n3)ccc2F)c1F ZINC001245693686 803914079 /nfs/dbraw/zinc/91/40/79/803914079.db2.gz ZKENQCAPALSRPC-UHFFFAOYSA-N -1 3 290.248 3.259 20 0 CGADHM Nc1ccc(Nc2ncc(Cl)cc2[O-])cc1Cl ZINC001212106101 814976455 /nfs/dbraw/zinc/97/64/55/814976455.db2.gz QLBIWJFXHFCVJL-UHFFFAOYSA-N -1 3 270.119 3.420 20 0 CGADHM Cc1ccc(-c2cncc(-c3nnn[n-]3)c2)c(C)c1Cl ZINC001245826604 803981488 /nfs/dbraw/zinc/98/14/88/803981488.db2.gz MTHNOFSBCDQOQD-UHFFFAOYSA-N -1 3 285.738 3.199 20 0 CGADHM Cc1ccc(-c2cncc(-c3nn[n-]n3)c2)c(C)c1Cl ZINC001245826604 803981495 /nfs/dbraw/zinc/98/14/95/803981495.db2.gz MTHNOFSBCDQOQD-UHFFFAOYSA-N -1 3 285.738 3.199 20 0 CGADHM COC(=O)c1ccc(-c2ccc3c(c2)[N-]C(=S)C3)cc1N ZINC001245904604 804032122 /nfs/dbraw/zinc/03/21/22/804032122.db2.gz SHTVZCBBBWDMTR-UHFFFAOYSA-N -1 3 298.367 3.018 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2ccc(F)c(C(F)F)c2)n1 ZINC001139462297 804190209 /nfs/dbraw/zinc/19/02/09/804190209.db2.gz XUESXMBFEWSZKX-UHFFFAOYSA-N -1 3 296.248 3.425 20 0 CGADHM Cc1[nH]c(CN(C)[C@@H]2CCc3ccccc32)c(C)c1C(=O)[O-] ZINC001140498856 804448804 /nfs/dbraw/zinc/44/88/04/804448804.db2.gz SNDSYOFHJBUWMO-MRXNPFEDSA-N -1 3 298.386 3.449 20 0 CGADHM CC1(C)CCC[C@H](CNC(=O)c2ccc(O)cc2[O-])C1 ZINC001142300831 804715050 /nfs/dbraw/zinc/71/50/50/804715050.db2.gz ISQLMIIWGMJRHH-NSHDSACASA-N -1 3 277.364 3.044 20 0 CGADHM O=C([O-])c1cc(Cl)ccc1CN1CC2CCC1CC2 ZINC001142660556 804749742 /nfs/dbraw/zinc/74/97/42/804749742.db2.gz XNTCEGZMZHVNNU-UHFFFAOYSA-N -1 3 279.767 3.413 20 0 CGADHM CCC[C@H](CC)C(=O)Nc1cc(C(=O)OC(C)(C)C)n[n-]1 ZINC001142905316 804782212 /nfs/dbraw/zinc/78/22/12/804782212.db2.gz BFUQDFOSTVPXAI-JTQLQIEISA-N -1 3 295.383 3.130 20 0 CGADHM CCC[C@H](CC)C(=O)Nc1cc(C(=O)OC(C)(C)C)[n-]n1 ZINC001142905316 804782216 /nfs/dbraw/zinc/78/22/16/804782216.db2.gz BFUQDFOSTVPXAI-JTQLQIEISA-N -1 3 295.383 3.130 20 0 CGADHM Cc1cc(F)nc(Nc2cc(F)cc(F)c2[O-])c1 ZINC001212483980 815036695 /nfs/dbraw/zinc/03/66/95/815036695.db2.gz COIHYHKAIMITOA-UHFFFAOYSA-N -1 3 254.211 3.257 20 0 CGADHM CCOc1ccccc1CCNC(=O)c1c(C)cccc1[O-] ZINC001143373146 804840412 /nfs/dbraw/zinc/84/04/12/804840412.db2.gz JGTSLGLVGOMXHK-UHFFFAOYSA-N -1 3 299.370 3.072 20 0 CGADHM Cc1cccc(-c2noc(Cc3ccc([O-])cc3F)n2)c1 ZINC001248142552 804886707 /nfs/dbraw/zinc/88/67/07/804886707.db2.gz RLQGUTAABQUOLV-UHFFFAOYSA-N -1 3 284.290 3.481 20 0 CGADHM Cc1ccc(Oc2ccc([N-]c3nonc3N)cc2)cc1 ZINC001248614598 804961699 /nfs/dbraw/zinc/96/16/99/804961699.db2.gz OKETVZFKLDBUNS-UHFFFAOYSA-N -1 3 282.303 3.496 20 0 CGADHM [O-]c1cc(F)c(Nc2cc3cccnc3[nH]2)cc1F ZINC001248725197 804978620 /nfs/dbraw/zinc/97/86/20/804978620.db2.gz XVLZQSLCAQIKLK-UHFFFAOYSA-N -1 3 261.231 3.290 20 0 CGADHM C[C@@H]1CCC[C@@H](C)N1Cc1c(F)cc([O-])cc1F ZINC001144541119 805000508 /nfs/dbraw/zinc/00/05/08/805000508.db2.gz BDSPIAQBDDOSDP-NXEZZACHSA-N -1 3 255.308 3.433 20 0 CGADHM [O-]c1cc(F)c(CN2CCC3(CCC3)CC2)cc1F ZINC001144648832 805022983 /nfs/dbraw/zinc/02/29/83/805022983.db2.gz YSEJPBJWYKQURK-UHFFFAOYSA-N -1 3 267.319 3.437 20 0 CGADHM CN(Cc1sccc1C(=O)[O-])Cc1cccc(F)c1 ZINC001144666250 805026440 /nfs/dbraw/zinc/02/64/40/805026440.db2.gz YCSUVPSYZANGFD-UHFFFAOYSA-N -1 3 279.336 3.217 20 0 CGADHM COCC[C@H]1CCCCN1Cc1cc(F)c([O-])cc1F ZINC001144667112 805029958 /nfs/dbraw/zinc/02/99/58/805029958.db2.gz SUSUCSUIAAWCTO-GFCCVEGCSA-N -1 3 285.334 3.061 20 0 CGADHM COc1cccc(C(=O)Nc2ccc3ccncc3c2)c1[O-] ZINC001148201722 805167447 /nfs/dbraw/zinc/16/74/47/805167447.db2.gz FZCVCPOJYZBOMB-UHFFFAOYSA-N -1 3 294.310 3.201 20 0 CGADHM CCOc1c(F)cccc1Nc1cc(=O)[n-]c(C2CC2)n1 ZINC001212534145 815054473 /nfs/dbraw/zinc/05/44/73/815054473.db2.gz AUJNBJPLSFOLFV-UHFFFAOYSA-N -1 3 289.310 3.341 20 0 CGADHM Cc1nc2ccccc2c(C(=O)N[C@@H]2CC=CCC2)c1[O-] ZINC001149205593 805223952 /nfs/dbraw/zinc/22/39/52/805223952.db2.gz FUXUJBNQQLHSMH-GFCCVEGCSA-N -1 3 282.343 3.087 20 0 CGADHM O=C(Nc1cc([O-])cc(Cl)c1)c1ccc2c[nH]nc2c1 ZINC001149356622 805229703 /nfs/dbraw/zinc/22/97/03/805229703.db2.gz NUJVBVDPBUYDQA-UHFFFAOYSA-N -1 3 287.706 3.174 20 0 CGADHM CS[C@H](C)CNC(=O)c1cc2sccc2c([O-])c1 ZINC001151937297 805323255 /nfs/dbraw/zinc/32/32/55/805323255.db2.gz WQYYVXYGXIJKPP-MRVPVSSYSA-N -1 3 281.402 3.088 20 0 CGADHM [O-]c1cc(Nc2c(O)cccc2F)c(F)cc1F ZINC001249994659 805352162 /nfs/dbraw/zinc/35/21/62/805352162.db2.gz JQUJCMZBSAHXEE-UHFFFAOYSA-N -1 3 255.195 3.259 20 0 CGADHM O=C(Nc1cncc([O-])c1)c1cccc2sccc21 ZINC001153429060 805396438 /nfs/dbraw/zinc/39/64/38/805396438.db2.gz WJGSHICTQZWCKQ-UHFFFAOYSA-N -1 3 270.313 3.254 20 0 CGADHM CSc1ccc(F)c([N-]c2nc(C)ns2)c1 ZINC001250119153 805426320 /nfs/dbraw/zinc/42/63/20/805426320.db2.gz PVKKWSKMADBMHH-UHFFFAOYSA-N -1 3 255.343 3.451 20 0 CGADHM [O-]c1cccc(C[C@H]2COc3ccccc3O2)c1Cl ZINC001250175785 805462867 /nfs/dbraw/zinc/46/28/67/805462867.db2.gz MMUQJZMHEIAWTP-NSHDSACASA-N -1 3 276.719 3.428 20 0 CGADHM Cc1c[nH]c(=O)cc1Nc1ccc(Cl)c([O-])c1 ZINC001212589678 815078006 /nfs/dbraw/zinc/07/80/06/815078006.db2.gz YNJHLKWEHMZLEG-UHFFFAOYSA-N -1 3 250.685 3.198 20 0 CGADHM COC(=O)c1cc(O)ccc1Nc1ccc(Cl)c([O-])c1 ZINC001212593419 815079736 /nfs/dbraw/zinc/07/97/36/815079736.db2.gz PVCFPKUTUBALLI-UHFFFAOYSA-N -1 3 293.706 3.281 20 0 CGADHM [O-]c1cc(Nc2ccc(-n3cncn3)cc2)ccc1Cl ZINC001212591377 815079791 /nfs/dbraw/zinc/07/97/91/815079791.db2.gz JBVGLJICTBPJNS-UHFFFAOYSA-N -1 3 286.722 3.370 20 0 CGADHM O=C(OCCc1c(F)ccc([O-])c1F)c1ccccc1 ZINC001250211102 805493470 /nfs/dbraw/zinc/49/34/70/805493470.db2.gz JVUVDAZCNXYIKY-UHFFFAOYSA-N -1 3 278.254 3.070 20 0 CGADHM CCOc1c(F)cc(Nc2cnc[n-]c2=O)cc1Cl ZINC001250221830 805499951 /nfs/dbraw/zinc/49/99/51/805499951.db2.gz QXRKSKONFYJJQH-UHFFFAOYSA-N -1 3 283.690 3.117 20 0 CGADHM Nc1ccc(O)c(Nc2ccc(Cl)c([O-])c2)c1 ZINC001212593606 815081140 /nfs/dbraw/zinc/08/11/40/815081140.db2.gz ZVGKLZKHKVNEMU-UHFFFAOYSA-N -1 3 250.685 3.077 20 0 CGADHM [O-]C(=Cc1c(F)ccc(CO)c1F)c1ccc(F)cc1F ZINC001250250802 805521085 /nfs/dbraw/zinc/52/10/85/805521085.db2.gz XYVKJNVFXONGPD-UHFFFAOYSA-N -1 3 298.235 3.161 20 0 CGADHM COc1cccc(Cc2cc(F)cc(F)c2[O-])c1 ZINC001250264127 805530762 /nfs/dbraw/zinc/53/07/62/805530762.db2.gz PCQFVXAIXSLEBF-UHFFFAOYSA-N -1 3 250.244 3.270 20 0 CGADHM COc1cc(Cc2c(F)ccc([O-])c2F)cc(OC)c1 ZINC001250299920 805553335 /nfs/dbraw/zinc/55/33/35/805553335.db2.gz UXWXXRTXBCAHML-UHFFFAOYSA-N -1 3 280.270 3.278 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2nccc3cc[nH]c32)c1 ZINC001167127188 807157163 /nfs/dbraw/zinc/15/71/63/807157163.db2.gz LXVWOTUZJQQYHJ-UHFFFAOYSA-N -1 3 281.315 3.083 20 0 CGADHM COc1ccc(-c2nnc(CC(C)(C)C)o2)c([O-])c1OC ZINC001257898523 807246259 /nfs/dbraw/zinc/24/62/59/807246259.db2.gz PQSXUFWFIRIUFV-UHFFFAOYSA-N -1 3 292.335 3.048 20 0 CGADHM Cc1ccccc1Cc1nnc(-c2cc(Cl)n[n-]2)o1 ZINC001258443775 807454856 /nfs/dbraw/zinc/45/48/56/807454856.db2.gz WTZDQSITFIKRMA-UHFFFAOYSA-N -1 3 274.711 3.012 20 0 CGADHM FC(F)(F)[C@H](Nc1ccccc1-c1nnn[n-]1)C1CCC1 ZINC001169284413 807622866 /nfs/dbraw/zinc/62/28/66/807622866.db2.gz IHIKUGLSKFQZFW-LLVKDONJSA-N -1 3 297.284 3.010 20 0 CGADHM FC(F)(F)[C@H](Nc1ccccc1-c1nn[n-]n1)C1CCC1 ZINC001169284413 807622871 /nfs/dbraw/zinc/62/28/71/807622871.db2.gz IHIKUGLSKFQZFW-LLVKDONJSA-N -1 3 297.284 3.010 20 0 CGADHM [O-]c1cccnc1CNc1cc2c3c(c1)CCCN3CCC2 ZINC001169731565 807700395 /nfs/dbraw/zinc/70/03/95/807700395.db2.gz AMEUCEJOFIWCGR-UHFFFAOYSA-N -1 3 295.386 3.098 20 0 CGADHM CC[C@H](C)S(=O)(=O)[N-]c1c(F)cccc1OC(C)C ZINC001260743024 807704413 /nfs/dbraw/zinc/70/44/13/807704413.db2.gz IIQGRRLVYOEMJV-JTQLQIEISA-N -1 3 289.372 3.153 20 0 CGADHM Oc1[n-]c(SCc2ccccc2C2CC2)nc2nncc1-2 ZINC001261553554 807757213 /nfs/dbraw/zinc/75/72/13/807757213.db2.gz DKRRUECBEDEWHA-UHFFFAOYSA-N -1 3 298.371 3.228 20 0 CGADHM COC(=O)Cc1ccccc1Nc1cc(F)c([O-])c(F)c1 ZINC001213059454 815214627 /nfs/dbraw/zinc/21/46/27/815214627.db2.gz VGAMPSCWJYYWKB-UHFFFAOYSA-N -1 3 293.269 3.130 20 0 CGADHM COC(=O)c1cccc(Nc2ccc([O-])c(F)c2F)c1 ZINC001173964856 808791796 /nfs/dbraw/zinc/79/17/96/808791796.db2.gz NQNRTRXMLNSFHX-UHFFFAOYSA-N -1 3 279.242 3.201 20 0 CGADHM CN(C)C(=O)c1ccc(Nc2c(F)cc([O-])cc2F)cc1 ZINC001174007443 808817591 /nfs/dbraw/zinc/81/75/91/808817591.db2.gz OTARLFKAJWZQSQ-UHFFFAOYSA-N -1 3 292.285 3.116 20 0 CGADHM CC(C)c1ccccc1Nc1ccc(C(N)=O)c([O-])c1 ZINC001174047547 808844303 /nfs/dbraw/zinc/84/43/03/808844303.db2.gz UZJXEPCIDPYFKL-UHFFFAOYSA-N -1 3 270.332 3.358 20 0 CGADHM CC(C)Oc1cccc(Nc2ccc(C(N)=O)c([O-])c2)c1 ZINC001174115869 808874524 /nfs/dbraw/zinc/87/45/24/808874524.db2.gz PLWLIVBLGKTGNV-UHFFFAOYSA-N -1 3 286.331 3.022 20 0 CGADHM COc1ccc(Nc2cc(=O)n(-c3ccccc3)[n-]2)c(F)c1 ZINC001174143906 808888659 /nfs/dbraw/zinc/88/86/59/808888659.db2.gz PIMOVDYQBXFSGI-UHFFFAOYSA-N -1 3 299.305 3.469 20 0 CGADHM O=c1cc(Nc2ccc3n[nH]cc3c2)[n-]n1-c1ccccc1 ZINC001174273629 808919583 /nfs/dbraw/zinc/91/95/83/808919583.db2.gz DFNQLOSXHQABSD-UHFFFAOYSA-N -1 3 291.314 3.198 20 0 CGADHM [O-]c1cc(F)c(Nc2cccc3n[nH]cc32)c(F)c1 ZINC001174345353 808966797 /nfs/dbraw/zinc/96/67/97/808966797.db2.gz WGEJCOVVSQYFSY-UHFFFAOYSA-N -1 3 261.231 3.290 20 0 CGADHM O=c1cc(Nc2cnc3[nH]ccc3c2)[n-]n1-c1ccccc1 ZINC001174396359 808993762 /nfs/dbraw/zinc/99/37/62/808993762.db2.gz IMVFOGZAMOLXHI-UHFFFAOYSA-N -1 3 291.314 3.149 20 0 CGADHM [O-]c1c(F)c(F)ccc1Nc1ccc2cn[nH]c2c1 ZINC001174500643 809048673 /nfs/dbraw/zinc/04/86/73/809048673.db2.gz LREBLFASGHMOGP-UHFFFAOYSA-N -1 3 261.231 3.290 20 0 CGADHM [O-]c1c(F)c(F)ccc1Nc1ccc2c[nH]nc2c1 ZINC001174500643 809048680 /nfs/dbraw/zinc/04/86/80/809048680.db2.gz LREBLFASGHMOGP-UHFFFAOYSA-N -1 3 261.231 3.290 20 0 CGADHM [O-]c1cc(Cl)cnc1Nc1cc(F)ccc1O ZINC001174625656 809108432 /nfs/dbraw/zinc/10/84/32/809108432.db2.gz IZNUNVHLCGVARX-UHFFFAOYSA-N -1 3 254.648 3.029 20 0 CGADHM [O-]c1cc(Nc2ccc3c(c2)OCO3)c(F)cc1F ZINC001174863964 809181821 /nfs/dbraw/zinc/18/18/21/809181821.db2.gz GGJJPGWEHQSNRF-UHFFFAOYSA-N -1 3 265.215 3.143 20 0 CGADHM O=c1cc(Nc2cc(F)c(F)c(F)c2)nc(C2CC2)[n-]1 ZINC001174955533 809215062 /nfs/dbraw/zinc/21/50/62/809215062.db2.gz NKJWKFPJXVORFN-UHFFFAOYSA-N -1 3 281.237 3.221 20 0 CGADHM Nc1ccnc(Cl)c1Nc1cc(F)c([O-])c(F)c1 ZINC001213373587 815272100 /nfs/dbraw/zinc/27/21/00/815272100.db2.gz NAMKVBMWHJBGEW-UHFFFAOYSA-N -1 3 271.654 3.045 20 0 CGADHM CCCCOc1ccccc1Nc1cnc(C)[n-]c1=O ZINC001175000084 809233755 /nfs/dbraw/zinc/23/37/55/809233755.db2.gz USHZDNWFGWQBAV-UHFFFAOYSA-N -1 3 273.336 3.413 20 0 CGADHM [O-]c1c(F)cc(Nc2cc(Cl)nn3ccnc23)cc1F ZINC001213377556 815272891 /nfs/dbraw/zinc/27/28/91/815272891.db2.gz TXAVKJSNMZJEDA-UHFFFAOYSA-N -1 3 296.664 3.110 20 0 CGADHM COc1ccc(N)c(Nc2cc(F)c([O-])c(F)c2)c1 ZINC001213379316 815272959 /nfs/dbraw/zinc/27/29/59/815272959.db2.gz ODXCWAZBKCJGNV-UHFFFAOYSA-N -1 3 266.247 3.005 20 0 CGADHM [O-]c1c(F)cc(Nc2cccc(F)c2CO)cc1F ZINC001213384342 815274128 /nfs/dbraw/zinc/27/41/28/815274128.db2.gz HJYFTPAWLPJZJA-UHFFFAOYSA-N -1 3 269.222 3.045 20 0 CGADHM [O-]c1c(F)cc(Nc2ccc3nnsc3c2)cc1F ZINC001213386550 815274481 /nfs/dbraw/zinc/27/44/81/815274481.db2.gz IZQUKWWEGBCQMM-UHFFFAOYSA-N -1 3 279.271 3.419 20 0 CGADHM COC(=O)c1c(F)cccc1Nc1c(F)cc([O-])cc1F ZINC001175097035 809268533 /nfs/dbraw/zinc/26/85/33/809268533.db2.gz LNOZWQJYVWFAOS-UHFFFAOYSA-N -1 3 297.232 3.340 20 0 CGADHM [O-]c1cc(F)c(Nc2ccc(F)c(O)c2)c(F)c1 ZINC001175099945 809271016 /nfs/dbraw/zinc/27/10/16/809271016.db2.gz IDZPGRPFMSPNIE-UHFFFAOYSA-N -1 3 255.195 3.259 20 0 CGADHM O=C1NCc2c(Nc3c(F)cc([O-])cc3F)cccc2N1 ZINC001175102323 809272978 /nfs/dbraw/zinc/27/29/78/809272978.db2.gz IQEVVXXDSKQQNL-UHFFFAOYSA-N -1 3 291.257 3.049 20 0 CGADHM O=C1Cc2ccc(Nc3c(F)cc([O-])cc3F)cc2C1 ZINC001175103120 809273151 /nfs/dbraw/zinc/27/31/51/809273151.db2.gz UDDFGMBMPBNGSD-UHFFFAOYSA-N -1 3 275.254 3.082 20 0 CGADHM CC(C)Oc1cc(F)cc(Nc2cc(=O)[n-]c(=S)[nH]2)c1 ZINC001175140767 809286127 /nfs/dbraw/zinc/28/61/27/809286127.db2.gz PJUDIHYJSRRRNI-UHFFFAOYSA-N -1 3 295.339 3.141 20 0 CGADHM [O-]c1ccc(F)c(Nc2cnc3ccccn23)c1F ZINC001175262485 809328060 /nfs/dbraw/zinc/32/80/60/809328060.db2.gz GPTKUCXEEPAXHE-UHFFFAOYSA-N -1 3 261.231 3.062 20 0 CGADHM COC(=O)c1ccc(Nc2c(F)ccc([O-])c2F)s1 ZINC001175262012 809328610 /nfs/dbraw/zinc/32/86/10/809328610.db2.gz XEYSBHGRKZQKIZ-UHFFFAOYSA-N -1 3 285.271 3.262 20 0 CGADHM [O-]c1ccc(F)c(Nc2cccnc2N2CCCC2)c1F ZINC001175263915 809329108 /nfs/dbraw/zinc/32/91/08/809329108.db2.gz XBBUQQJKAGFVOH-UHFFFAOYSA-N -1 3 291.301 3.409 20 0 CGADHM COC(=O)c1cscc1Nc1c(F)ccc([O-])c1F ZINC001175263867 809329982 /nfs/dbraw/zinc/32/99/82/809329982.db2.gz UZYGRWOIKWLPKD-UHFFFAOYSA-N -1 3 285.271 3.262 20 0 CGADHM Cc1cccc2ncc(Nc3c(F)ccc([O-])c3F)n21 ZINC001175265247 809331480 /nfs/dbraw/zinc/33/14/80/809331480.db2.gz FFQVFTFJDVCZRE-UHFFFAOYSA-N -1 3 275.258 3.370 20 0 CGADHM [O-]c1ccc(F)c(Nc2cccc(-c3nnco3)c2)c1F ZINC001175269033 809332295 /nfs/dbraw/zinc/33/22/95/809332295.db2.gz XUNXTHDHLJDJDQ-UHFFFAOYSA-N -1 3 289.241 3.464 20 0 CGADHM Cc1ccc(Nc2c(F)ccc([O-])c2F)cc1O ZINC001175268155 809332466 /nfs/dbraw/zinc/33/24/66/809332466.db2.gz IWIIABPKDQVMQI-UHFFFAOYSA-N -1 3 251.232 3.428 20 0 CGADHM Nc1ccc(-c2nccn2-c2c(F)ccc([O-])c2F)cc1 ZINC001175267652 809332781 /nfs/dbraw/zinc/33/27/81/809332781.db2.gz FAVSZMOAEBSUGL-UHFFFAOYSA-N -1 3 287.269 3.105 20 0 CGADHM [O-]c1ccc(F)c(Nc2c(F)cccc2CO)c1F ZINC001175270003 809333952 /nfs/dbraw/zinc/33/39/52/809333952.db2.gz RBLHNOOCNFZDJR-UHFFFAOYSA-N -1 3 269.222 3.045 20 0 CGADHM COC(=O)c1cccc(Nc2c(F)ccc([O-])c2F)c1F ZINC001175269150 809334066 /nfs/dbraw/zinc/33/40/66/809334066.db2.gz DVPSIWUWRXZYMD-UHFFFAOYSA-N -1 3 297.232 3.340 20 0 CGADHM Cc1cc(C2CC2)cc(F)c1Nc1cnc[n-]c1=O ZINC001213467442 815285751 /nfs/dbraw/zinc/28/57/51/815285751.db2.gz SJCYOYLXNQBLQG-UHFFFAOYSA-N -1 3 259.284 3.251 20 0 CGADHM Fc1cccc(Cl)c1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175429833 809401303 /nfs/dbraw/zinc/40/13/03/809401303.db2.gz QUDALKKCABQVMJ-UHFFFAOYSA-N -1 3 289.701 3.403 20 0 CGADHM c1nsc2ccc(Nc3ccc(-c4nn[n-]n4)cc3)cc12 ZINC001175430178 809401498 /nfs/dbraw/zinc/40/14/98/809401498.db2.gz IWROCEPYXGSIAB-UHFFFAOYSA-N -1 3 294.343 3.220 20 0 CGADHM Fc1cc(Cl)ccc1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175429372 809401837 /nfs/dbraw/zinc/40/18/37/809401837.db2.gz IYBTXPMQGUAIBR-UHFFFAOYSA-N -1 3 289.701 3.403 20 0 CGADHM CCC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001175432218 809402698 /nfs/dbraw/zinc/40/26/98/809402698.db2.gz WDOIBUWKRNGACQ-UHFFFAOYSA-N -1 3 293.330 3.203 20 0 CGADHM [O-]c1c(F)cc(Br)cc1Nc1cncs1 ZINC001175502756 809433084 /nfs/dbraw/zinc/43/30/84/809433084.db2.gz SJFXWUXEILLNJF-UHFFFAOYSA-N -1 3 289.129 3.494 20 0 CGADHM Clc1cc(-c2nc(-c3cccc(Cl)c3)no2)[n-]n1 ZINC001213500225 815290540 /nfs/dbraw/zinc/29/05/40/815290540.db2.gz CMYQLXQRJBZBFN-UHFFFAOYSA-N -1 3 281.102 3.434 20 0 CGADHM Cc1ncccc1/C=C/C(=O)Nc1ccc(Cl)cc1[O-] ZINC001295971309 809497418 /nfs/dbraw/zinc/49/74/18/809497418.db2.gz BAJCNJHVYQKXLF-QPJJXVBHSA-N -1 3 288.734 3.401 20 0 CGADHM CCC[C@@H](CNC(=O)c1ccc(C(C)C)cc1[O-])OC ZINC001298412825 809531905 /nfs/dbraw/zinc/53/19/05/809531905.db2.gz VZISKNOEMHARNO-ZDUSSCGKSA-N -1 3 279.380 3.061 20 0 CGADHM Cc1nc(Nc2ccc(-c3ccccc3)nc2)cc(=O)[n-]1 ZINC001175832832 809551131 /nfs/dbraw/zinc/55/11/31/809551131.db2.gz LJFWDYGGXTYTEF-UHFFFAOYSA-N -1 3 278.315 3.296 20 0 CGADHM O=C(N[C@@H]1C=CCC1)c1cc2sccc2c([O-])c1 ZINC001300453650 809568066 /nfs/dbraw/zinc/56/80/66/809568066.db2.gz IXJUQDDWOWSFFH-SNVBAGLBSA-N -1 3 259.330 3.055 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2cncc3c2CCCC3)c1 ZINC001300770938 809574251 /nfs/dbraw/zinc/57/42/51/809574251.db2.gz WSEYTTJCZMGDIV-UHFFFAOYSA-N -1 3 282.343 3.227 20 0 CGADHM [O-]c1c(F)cc(Br)cc1Nc1cscn1 ZINC001175945050 809578569 /nfs/dbraw/zinc/57/85/69/809578569.db2.gz NMMWYBAELPDGSF-UHFFFAOYSA-N -1 3 289.129 3.494 20 0 CGADHM CCc1nnc([N-]c2cnn(Cc3cccs3)c2)s1 ZINC001176157836 809637552 /nfs/dbraw/zinc/63/75/52/809637552.db2.gz QZIAHOIJWJLMIW-UHFFFAOYSA-N -1 3 291.405 3.150 20 0 CGADHM Cc1csc(CCC(=O)Nc2ccc(F)c([O-])c2)c1 ZINC001176181364 809641974 /nfs/dbraw/zinc/64/19/74/809641974.db2.gz FJTSAHUPXPCIQC-UHFFFAOYSA-N -1 3 279.336 3.473 20 0 CGADHM Cc1nc(Nc2ccc(Oc3ccccc3)nc2)cc(=O)[n-]1 ZINC001176374165 809682143 /nfs/dbraw/zinc/68/21/43/809682143.db2.gz PNDTXSPAYAQRKH-UHFFFAOYSA-N -1 3 294.314 3.422 20 0 CGADHM CC(C)(C)c1nc([N-]c2cc(O)cc(Cl)c2)no1 ZINC001176619986 809732112 /nfs/dbraw/zinc/73/21/12/809732112.db2.gz DDWNMZFFIWMYJM-UHFFFAOYSA-N -1 3 267.716 3.470 20 0 CGADHM CC(=O)c1cccc([O-])c1NC(=O)C1C(C)(C)C1(C)C ZINC001179694327 809938151 /nfs/dbraw/zinc/93/81/51/809938151.db2.gz DCLWAMCADLAGKZ-UHFFFAOYSA-N -1 3 275.348 3.216 20 0 CGADHM O=C(Nc1ccc(F)c([O-])c1)[C@@H](F)c1ccccc1 ZINC001180149726 809979339 /nfs/dbraw/zinc/97/93/39/809979339.db2.gz YAMDHIGVMCSJAE-ZDUSSCGKSA-N -1 3 263.243 3.181 20 0 CGADHM CCc1ccc2c(c1)CCN(C(=O)c1ccccc1[O-])C2 ZINC001181488056 810055464 /nfs/dbraw/zinc/05/54/64/810055464.db2.gz RWYLITIKBZYNDD-UHFFFAOYSA-N -1 3 281.355 3.153 20 0 CGADHM CCCCOc1ccc(C(=O)N[C@H](C)CC)c([O-])c1 ZINC001182174178 810097125 /nfs/dbraw/zinc/09/71/25/810097125.db2.gz BECHANNWBKHDNV-LLVKDONJSA-N -1 3 265.353 3.099 20 0 CGADHM Cc1ncc(Nc2cc(F)c(Cl)cc2F)c(=O)[n-]1 ZINC001213939271 815348262 /nfs/dbraw/zinc/34/82/62/815348262.db2.gz IRXNHELMLKZBFL-UHFFFAOYSA-N -1 3 271.654 3.166 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2ncccc2C2CCC2)n1 ZINC001185254373 810249680 /nfs/dbraw/zinc/24/96/80/810249680.db2.gz YDCZACSEBXQXJH-UHFFFAOYSA-N -1 3 283.331 3.010 20 0 CGADHM Cc1cc(C(=O)[N-]c2noc3cccnc32)c(F)cc1F ZINC001186347992 810330976 /nfs/dbraw/zinc/33/09/76/810330976.db2.gz FQVHMJOVLULZLU-UHFFFAOYSA-N -1 3 289.241 3.062 20 0 CGADHM Cc1cc(C(=O)Nc2ccc(F)c([O-])c2)c(F)cc1F ZINC001186382430 810335492 /nfs/dbraw/zinc/33/54/92/810335492.db2.gz RACQIGBPOYONDA-UHFFFAOYSA-N -1 3 281.233 3.370 20 0 CGADHM Cc1ccc([O-])c(NC(=O)Nc2cc(F)cc(F)c2)n1 ZINC001187543858 810403727 /nfs/dbraw/zinc/40/37/27/810403727.db2.gz GHAHFRDSASTHIQ-UHFFFAOYSA-N -1 3 279.246 3.018 20 0 CGADHM CCCC[C@H](CCC)C[N-]S(=O)(=O)c1ccc(C)o1 ZINC001188017190 810443446 /nfs/dbraw/zinc/44/34/46/810443446.db2.gz MDTVQINVNOTHNE-ZDUSSCGKSA-N -1 3 287.425 3.473 20 0 CGADHM Cc1c(F)ccc([N-]S(=O)(=O)c2ccoc2)c1Cl ZINC001188615819 810494099 /nfs/dbraw/zinc/49/40/99/810494099.db2.gz XOXKZSGONPWFLH-UHFFFAOYSA-N -1 3 289.715 3.181 20 0 CGADHM Cc1cccc([O-])c1C(=O)Nc1cnc(C2CC2)s1 ZINC001188640234 810497381 /nfs/dbraw/zinc/49/73/81/810497381.db2.gz KCKQRTPJTDGELH-UHFFFAOYSA-N -1 3 274.345 3.287 20 0 CGADHM Cc1cccc([O-])c1C(=O)Nc1cccc2[nH]c(=O)ccc12 ZINC001188654904 810500849 /nfs/dbraw/zinc/50/08/49/810500849.db2.gz JCGJWCFNABDVEZ-UHFFFAOYSA-N -1 3 294.310 3.207 20 0 CGADHM Cc1nc(NC(=O)c2cccc(C(C)(C)C)c2)cc(=O)[n-]1 ZINC001188970012 810528670 /nfs/dbraw/zinc/52/86/70/810528670.db2.gz KFCVIKAYQUYCEI-UHFFFAOYSA-N -1 3 285.347 3.040 20 0 CGADHM O=C(Nc1cncc([O-])c1)c1ccc(-c2ccccc2)[nH]1 ZINC001189008214 810533322 /nfs/dbraw/zinc/53/33/22/810533322.db2.gz IXHCNBRHCJUDHB-UHFFFAOYSA-N -1 3 279.299 3.035 20 0 CGADHM Cc1cc(C(=O)Nc2ncccc2[O-])c(-n2cccc2)s1 ZINC001189294050 810555716 /nfs/dbraw/zinc/55/57/16/810555716.db2.gz SNLXOEKLXVRTNV-UHFFFAOYSA-N -1 3 299.355 3.200 20 0 CGADHM Cc1cc(C(=O)Nc2cncc([O-])c2)c(-n2cccc2)s1 ZINC001189302370 810557197 /nfs/dbraw/zinc/55/71/97/810557197.db2.gz JVQIOSYCULUNMD-UHFFFAOYSA-N -1 3 299.355 3.200 20 0 CGADHM CC(C)c1ccc(NC(=O)c2cnn[n-]2)c(C(F)(F)F)c1 ZINC001189351904 810561792 /nfs/dbraw/zinc/56/17/92/810561792.db2.gz PLNCWQSDNWLOIU-UHFFFAOYSA-N -1 3 298.268 3.199 20 0 CGADHM CC(C)c1ccc(NC(=O)c2c[n-]nn2)c(C(F)(F)F)c1 ZINC001189351904 810561798 /nfs/dbraw/zinc/56/17/98/810561798.db2.gz PLNCWQSDNWLOIU-UHFFFAOYSA-N -1 3 298.268 3.199 20 0 CGADHM CC(C)c1ccc(NC(=O)c2cn[n-]n2)c(C(F)(F)F)c1 ZINC001189351904 810561804 /nfs/dbraw/zinc/56/18/04/810561804.db2.gz PLNCWQSDNWLOIU-UHFFFAOYSA-N -1 3 298.268 3.199 20 0 CGADHM Cc1ccc(NC(=O)Nc2nccs2)c(Cl)c1[O-] ZINC001189383981 810565577 /nfs/dbraw/zinc/56/55/77/810565577.db2.gz PFHUUUDZGUKWBU-UHFFFAOYSA-N -1 3 283.740 3.455 20 0 CGADHM CCCc1ccc(C(=O)Nc2ncccc2[O-])s1 ZINC001189506169 810573309 /nfs/dbraw/zinc/57/33/09/810573309.db2.gz XYNJKCKPIDCRCI-UHFFFAOYSA-N -1 3 262.334 3.054 20 0 CGADHM CCCCNC(=O)Nc1ccc([O-])c(Br)c1 ZINC001190614964 810637948 /nfs/dbraw/zinc/63/79/48/810637948.db2.gz BXHYILXIFBHVPD-UHFFFAOYSA-N -1 3 287.157 3.076 20 0 CGADHM CC(=O)c1cccc([O-])c1NC(=O)c1ccnc(C2CC2)c1 ZINC001193007211 810841623 /nfs/dbraw/zinc/84/16/23/810841623.db2.gz HMOXNCBYOAQZMV-UHFFFAOYSA-N -1 3 296.326 3.120 20 0 CGADHM O=S(=O)(CC1CCC1)[N-]c1ccccc1-c1ccco1 ZINC001193523573 810902967 /nfs/dbraw/zinc/90/29/67/810902967.db2.gz HWMRZKUZBLISPG-UHFFFAOYSA-N -1 3 291.372 3.488 20 0 CGADHM Cc1ccc(Nc2ccc([O-])c(F)c2F)c(CO)c1 ZINC001214457348 815411581 /nfs/dbraw/zinc/41/15/81/815411581.db2.gz UQMNTSWJZAXJEC-UHFFFAOYSA-N -1 3 265.259 3.215 20 0 CGADHM Cc1cc(O)cc([O-])c1C(=O)NCC(C)(C)c1ccccc1 ZINC001193938925 810981626 /nfs/dbraw/zinc/98/16/26/810981626.db2.gz VIRZHFGNPVBGDT-UHFFFAOYSA-N -1 3 299.370 3.114 20 0 CGADHM Cc1ccc(OC(=O)[N-]C2=NCC(=O)C=C2C)cc1 ZINC001194425793 811073978 /nfs/dbraw/zinc/07/39/78/811073978.db2.gz IQNBPBFVXPQNNF-UHFFFAOYSA-N -1 3 258.277 3.015 20 0 CGADHM Cc1cnc(Nc2c(Cl)ccc([O-])c2F)nc1C ZINC001214553827 815422464 /nfs/dbraw/zinc/42/24/64/815422464.db2.gz BLWIIAQXKLFZQY-UHFFFAOYSA-N -1 3 267.691 3.335 20 0 CGADHM Cn1ncc2cc(Nc3c(Cl)ccc([O-])c3F)cnc21 ZINC001214556217 815423089 /nfs/dbraw/zinc/42/30/89/815423089.db2.gz LEPHVAVCUSTNCY-UHFFFAOYSA-N -1 3 292.701 3.210 20 0 CGADHM Nc1ccc2cnn(-c3c(Cl)ccc([O-])c3F)c2c1 ZINC001214560026 815424752 /nfs/dbraw/zinc/42/47/52/815424752.db2.gz YPZSZVJKBSFIRW-UHFFFAOYSA-N -1 3 277.686 3.106 20 0 CGADHM CCCC1CCN(C(=O)c2ccc(Cl)[n-]c2=O)CC1 ZINC001195135221 811212178 /nfs/dbraw/zinc/21/21/78/811212178.db2.gz RIRORDUJWBDHSE-UHFFFAOYSA-N -1 3 282.771 3.093 20 0 CGADHM CC[C@@H](C)OC(=O)NCc1cc(Cl)c([O-])c(OC)c1 ZINC001195157856 811219757 /nfs/dbraw/zinc/21/97/57/811219757.db2.gz YAIWWOWTDFBMNJ-MRVPVSSYSA-N -1 3 287.743 3.079 20 0 CGADHM CC[C@H](C)OC(=O)NCc1cc(Cl)c([O-])c(OC)c1 ZINC001195157858 811220432 /nfs/dbraw/zinc/22/04/32/811220432.db2.gz YAIWWOWTDFBMNJ-QMMMGPOBSA-N -1 3 287.743 3.079 20 0 CGADHM O=C(Nc1ncccc1[O-])c1cc(Cl)c(Cl)s1 ZINC001195169460 811221857 /nfs/dbraw/zinc/22/18/57/811221857.db2.gz LVRKBRBWLPARED-UHFFFAOYSA-N -1 3 289.143 3.408 20 0 CGADHM Cc1ccc([O-])c(C(=O)NCC2(C)CCC(F)(F)CC2)n1 ZINC001195335051 811243127 /nfs/dbraw/zinc/24/31/27/811243127.db2.gz CGWGDUCPFGPXQQ-UHFFFAOYSA-N -1 3 298.333 3.041 20 0 CGADHM Cc1ccc(F)cc1NC(=S)Nc1cncc([O-])c1 ZINC001195883130 811298387 /nfs/dbraw/zinc/29/83/87/811298387.db2.gz GSIIHPQRHAXUPM-UHFFFAOYSA-N -1 3 277.324 3.044 20 0 CGADHM COc1ccccc1NC(=S)Nc1c([O-])cccc1F ZINC001196250071 811328095 /nfs/dbraw/zinc/32/80/95/811328095.db2.gz SPIDRBBNGWDQLE-UHFFFAOYSA-N -1 3 292.335 3.349 20 0 CGADHM CC(C)(C)n1ccc(C(=O)Nc2cc([O-])cc(Cl)c2)n1 ZINC001196323505 811335320 /nfs/dbraw/zinc/33/53/20/811335320.db2.gz XOSBSHBIZBDDSE-UHFFFAOYSA-N -1 3 293.754 3.249 20 0 CGADHM O=C(Nc1cncc([O-])c1)c1cnccc1-c1ccccc1 ZINC001196469662 811347074 /nfs/dbraw/zinc/34/70/74/811347074.db2.gz MHSGUISIZYUPIQ-UHFFFAOYSA-N -1 3 291.310 3.102 20 0 CGADHM Cc1c(F)ccc(F)c1C(=O)[N-]c1nnc(C(C)(C)C)o1 ZINC001196712979 811359224 /nfs/dbraw/zinc/35/92/24/811359224.db2.gz RGUDOXKCQHARQE-UHFFFAOYSA-N -1 3 295.289 3.206 20 0 CGADHM Cc1cc(C(=O)Nc2cc([O-])cc(Cl)c2)n(C(C)C)n1 ZINC001199222237 811565054 /nfs/dbraw/zinc/56/50/54/811565054.db2.gz HLTXJHHKTKRSME-UHFFFAOYSA-N -1 3 293.754 3.384 20 0 CGADHM [O-]c1cccc(F)c1NC(=S)Nc1ccccc1 ZINC001200837822 811752181 /nfs/dbraw/zinc/75/21/81/811752181.db2.gz SCBVLEJQKWVREX-UHFFFAOYSA-N -1 3 262.309 3.340 20 0 CGADHM CC(C)(C)c1nnc([N-]c2ccc(CO)c(F)c2F)s1 ZINC001215023829 815476407 /nfs/dbraw/zinc/47/64/07/815476407.db2.gz BPXROGURWBOCLC-UHFFFAOYSA-N -1 3 299.346 3.350 20 0 CGADHM Cc1ccccc1NC(=O)Nc1ccc(F)c([O-])c1 ZINC001202185865 812033150 /nfs/dbraw/zinc/03/31/50/812033150.db2.gz LVHIXPFVOYJJQS-UHFFFAOYSA-N -1 3 260.268 3.484 20 0 CGADHM Cc1c(C)c(Nc2ncc(Cl)cc2[O-])ccc1CO ZINC001215235940 815496379 /nfs/dbraw/zinc/49/63/79/815496379.db2.gz KNDFBYVUAGBEIJ-UHFFFAOYSA-N -1 3 278.739 3.293 20 0 CGADHM CC(=O)c1cccc(NC(=O)Nc2cccc(F)c2)c1[O-] ZINC001202231058 812046125 /nfs/dbraw/zinc/04/61/25/812046125.db2.gz WUBYYNAEVOPGBP-UHFFFAOYSA-N -1 3 288.278 3.378 20 0 CGADHM O=C(Nc1cccc(C(F)(F)F)c1)Nc1cncc([O-])c1 ZINC001202290396 812058033 /nfs/dbraw/zinc/05/80/33/812058033.db2.gz PBGCSNZLKUHRCZ-UHFFFAOYSA-N -1 3 297.236 3.450 20 0 CGADHM Cc1cc(C)cc(NC(=O)Nc2cncc([O-])c2)c1 ZINC001202835428 812183451 /nfs/dbraw/zinc/18/34/51/812183451.db2.gz FBKLGFFGWPPXKI-UHFFFAOYSA-N -1 3 257.293 3.048 20 0 CGADHM CC(=O)c1cc(-c2nc(-c3ccncc3C)no2)ccc1[O-] ZINC001215364852 815509987 /nfs/dbraw/zinc/50/99/87/815509987.db2.gz FTSBPXZYLPVBIP-UHFFFAOYSA-N -1 3 295.298 3.015 20 0 CGADHM [O-]c1cc(F)c(Nc2nccnc2C2CC2)cc1F ZINC001215570216 815536027 /nfs/dbraw/zinc/53/60/27/815536027.db2.gz OLVRTYVLBGBWDY-UHFFFAOYSA-N -1 3 263.247 3.081 20 0 CGADHM Cc1nc2c(C)cc(Nc3cc(F)c([O-])cc3F)cn2n1 ZINC001215570530 815536076 /nfs/dbraw/zinc/53/60/76/815536076.db2.gz KUUATFBBCDCIOM-UHFFFAOYSA-N -1 3 290.273 3.074 20 0 CGADHM Cc1cn2cccc(Nc3cc(F)c([O-])cc3F)c2n1 ZINC001215570810 815536134 /nfs/dbraw/zinc/53/61/34/815536134.db2.gz OVJCKDTTYGARHW-UHFFFAOYSA-N -1 3 275.258 3.370 20 0 CGADHM Nc1ccnc(Cl)c1Nc1cc(F)c([O-])cc1F ZINC001215570814 815536567 /nfs/dbraw/zinc/53/65/67/815536567.db2.gz PBEJNSOJTXIMBD-UHFFFAOYSA-N -1 3 271.654 3.045 20 0 CGADHM [O-]c1cc(F)c(Nc2cnn3ccc(Cl)nc23)cc1F ZINC001215571062 815537797 /nfs/dbraw/zinc/53/77/97/815537797.db2.gz VJAVBAGUUDCMND-UHFFFAOYSA-N -1 3 296.664 3.110 20 0 CGADHM Cc1nonc1[N-]c1cccc(CN2CCCCC2)c1F ZINC001215675624 815557680 /nfs/dbraw/zinc/55/76/80/815557680.db2.gz DCOFWZCGDBXJAH-UHFFFAOYSA-N -1 3 290.342 3.247 20 0 CGADHM COc1cccc([N-]c2nnc(C(C)(C)C)o2)c1C ZINC001215796865 815595412 /nfs/dbraw/zinc/59/54/12/815595412.db2.gz GQPXALDPTKMCNK-UHFFFAOYSA-N -1 3 261.325 3.428 20 0 CGADHM Cc1nc2c(c(-c3ccc([O-])cc3F)n1)CCCC2 ZINC001206037822 813176079 /nfs/dbraw/zinc/17/60/79/813176079.db2.gz OMOLPTYHCSKJTG-UHFFFAOYSA-N -1 3 258.296 3.176 20 0 CGADHM [O-]c1ccc(-c2cncc(C(F)(F)F)n2)c(F)c1 ZINC001206037141 813176261 /nfs/dbraw/zinc/17/62/61/813176261.db2.gz DNPHYDHSTCPLFG-UHFFFAOYSA-N -1 3 258.174 3.007 20 0 CGADHM CCN(Cc1c(F)ccc([O-])c1F)c1cccc(O)c1 ZINC001206665498 813393892 /nfs/dbraw/zinc/39/38/92/813393892.db2.gz XXQXZZNMCAYNEH-UHFFFAOYSA-N -1 3 279.286 3.403 20 0 CGADHM CN1CC=C(Nc2ccc(Br)cc2[S-])CC1 ZINC001208930095 813905020 /nfs/dbraw/zinc/90/50/20/813905020.db2.gz GRMNRMXTMASGNX-UHFFFAOYSA-N -1 3 299.237 3.369 20 0 CGADHM [O-]c1cccc2sc(Nc3ncccc3F)nc21 ZINC001209805498 814148530 /nfs/dbraw/zinc/14/85/30/814148530.db2.gz VBIJFRKVRFCHMF-UHFFFAOYSA-N -1 3 261.281 3.280 20 0 CGADHM Nc1n[nH]c2ccc(Nc3ccc([O-])c(Cl)c3)cc12 ZINC001209863243 814174258 /nfs/dbraw/zinc/17/42/58/814174258.db2.gz QGTYYEWMGMJDFD-UHFFFAOYSA-N -1 3 274.711 3.248 20 0 CGADHM COc1cc(C(F)(F)F)ccc1Nc1cc(=O)[n-]c(C)n1 ZINC001209882228 814185701 /nfs/dbraw/zinc/18/57/01/814185701.db2.gz WBCFOAUXWQPMKP-UHFFFAOYSA-N -1 3 299.252 3.262 20 0 CGADHM Cc1cccc(Nc2cccc(C(=O)N(C)C)c2[O-])c1F ZINC001210039293 814257577 /nfs/dbraw/zinc/25/75/77/814257577.db2.gz MROUFIAZAOCSRW-UHFFFAOYSA-N -1 3 288.322 3.285 20 0 CGADHM [O-]c1cccc2sc(Nc3cc(F)ccc3CO)nc21 ZINC001210178730 814322276 /nfs/dbraw/zinc/32/22/76/814322276.db2.gz WBGYZXJLQRZFNU-UHFFFAOYSA-N -1 3 290.319 3.377 20 0 CGADHM [O-]c1c(F)cc(Nc2cc(F)ccc2CO)cc1F ZINC001210185378 814325541 /nfs/dbraw/zinc/32/55/41/814325541.db2.gz MMTUXUBATLPTFZ-UHFFFAOYSA-N -1 3 269.222 3.045 20 0 CGADHM Cc1cccc(Nc2ncc(Br)cc2[O-])c1O ZINC001210188281 814327570 /nfs/dbraw/zinc/32/75/70/814327570.db2.gz VGEFEQWYGBTGMM-UHFFFAOYSA-N -1 3 295.136 3.307 20 0 CGADHM [O-]c1c(F)cc(Nc2cccc(F)c2O)cc1F ZINC001210197892 814333641 /nfs/dbraw/zinc/33/36/41/814333641.db2.gz DBTXKLGQWRGTJM-UHFFFAOYSA-N -1 3 255.195 3.259 20 0 CGADHM CC(=O)c1ccncc1Nc1cccc(Cl)c1[O-] ZINC001210215476 814344749 /nfs/dbraw/zinc/34/47/49/814344749.db2.gz GNKLJCSMRGNAPH-UHFFFAOYSA-N -1 3 262.696 3.387 20 0 CGADHM [O-]c1c(Cl)cccc1Nc1cnncc1Cl ZINC001210219612 814347299 /nfs/dbraw/zinc/34/72/99/814347299.db2.gz RGSSCRCSYCULGG-UHFFFAOYSA-N -1 3 256.092 3.233 20 0 CGADHM CN1Cc2cccc(Nc3cccc(Cl)c3[O-])c2C1=O ZINC001210223110 814351284 /nfs/dbraw/zinc/35/12/84/814351284.db2.gz KULBQFGEZRAEKD-UHFFFAOYSA-N -1 3 288.734 3.375 20 0 CGADHM COc1ncc(Nc2cc([O-])c(F)cc2F)cc1C ZINC001210316452 814400417 /nfs/dbraw/zinc/40/04/17/814400417.db2.gz WSCJMTFTMMPKCM-UHFFFAOYSA-N -1 3 266.247 3.126 20 0 CGADHM COc1c(F)cccc1Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001210404633 814447574 /nfs/dbraw/zinc/44/75/74/814447574.db2.gz XSGMGHHKBJEQLD-UHFFFAOYSA-N -1 3 299.305 3.469 20 0 CGADHM C[C@@H](O)c1ccc(Nc2cc(=O)n(-c3ccccc3)[n-]2)cc1 ZINC001210646197 814569868 /nfs/dbraw/zinc/56/98/68/814569868.db2.gz YMCYUXLOYADIBI-GFCCVEGCSA-N -1 3 295.342 3.375 20 0 CGADHM C[C@@H](O)c1ccc(Nc2ccc(-n3ccc(=O)[n-]3)cc2)cc1 ZINC001210654001 814574286 /nfs/dbraw/zinc/57/42/86/814574286.db2.gz WVJIWNXHFLANII-GFCCVEGCSA-N -1 3 295.342 3.375 20 0 CGADHM Cc1ccc(CO)cc1Nc1cc(F)c([O-])c(F)c1 ZINC001210680213 814583122 /nfs/dbraw/zinc/58/31/22/814583122.db2.gz FVSBBTCLIKHZSA-UHFFFAOYSA-N -1 3 265.259 3.215 20 0 CGADHM CC(C)(C)c1nnc([N-]c2cc(O)ccc2F)s1 ZINC001210799323 814632831 /nfs/dbraw/zinc/63/28/31/814632831.db2.gz WSQFYZJMQPYHRL-UHFFFAOYSA-N -1 3 267.329 3.424 20 0 CGADHM [O-]c1cc(F)cnc1Nc1cc(O)cc(C(F)(F)F)c1 ZINC001210823802 814644201 /nfs/dbraw/zinc/64/42/01/814644201.db2.gz GCLUUHAGBWQWEC-UHFFFAOYSA-N -1 3 288.200 3.394 20 0 CGADHM [O-]c1cccc(Nc2cnc(Cl)nc2)c1Cl ZINC001210844450 814649180 /nfs/dbraw/zinc/64/91/80/814649180.db2.gz IGVRSLFCLNUPCS-UHFFFAOYSA-N -1 3 256.092 3.233 20 0 CGADHM COc1ccnc(Nc2cccc([O-])c2Cl)c1 ZINC001210844826 814649742 /nfs/dbraw/zinc/64/97/42/814649742.db2.gz MDKUPJDRCCIMQO-UHFFFAOYSA-N -1 3 250.685 3.193 20 0 CGADHM Cc1cc(O)cnc1Nc1cccc([O-])c1Cl ZINC001210845258 814650573 /nfs/dbraw/zinc/65/05/73/814650573.db2.gz WLJLAPLTYLLDLZ-UHFFFAOYSA-N -1 3 250.685 3.198 20 0 CGADHM Cn1cnc2cc(Nc3cccc([O-])c3Cl)cnc21 ZINC001210845206 814650852 /nfs/dbraw/zinc/65/08/52/814650852.db2.gz UYBHJSVENQRGQL-UHFFFAOYSA-N -1 3 274.711 3.071 20 0 CGADHM CCOC(=O)c1cccc(Nc2cccc([O-])c2Cl)n1 ZINC001210853916 814651856 /nfs/dbraw/zinc/65/18/56/814651856.db2.gz PRNZFXGHIZMNKD-UHFFFAOYSA-N -1 3 292.722 3.361 20 0 CGADHM O=C1OCc2cc(Nc3cccc([O-])c3Cl)ccc21 ZINC001210854464 814651868 /nfs/dbraw/zinc/65/18/68/814651868.db2.gz XWVMMKMKWMUKMV-UHFFFAOYSA-N -1 3 275.691 3.460 20 0 CGADHM COc1cc(F)ncc1Nc1cccc([O-])c1Cl ZINC001210855479 814652291 /nfs/dbraw/zinc/65/22/91/814652291.db2.gz PXKLCRUQKVHEKM-UHFFFAOYSA-N -1 3 268.675 3.332 20 0 CGADHM O=C1COc2c(Nc3cccc([O-])c3Cl)cccc2N1 ZINC001210854159 814652336 /nfs/dbraw/zinc/65/23/36/814652336.db2.gz DIVHVENOAAIZQN-UHFFFAOYSA-N -1 3 290.706 3.120 20 0 CGADHM C[C@@H](O)c1ccnc(Nc2cccc([O-])c2Cl)c1 ZINC001210855763 814653484 /nfs/dbraw/zinc/65/34/84/814653484.db2.gz VTWMLYPZJIKRDM-MRVPVSSYSA-N -1 3 264.712 3.238 20 0 CGADHM COCCN(c1ccccc1N)c1cccc([O-])c1Cl ZINC001210860040 814655133 /nfs/dbraw/zinc/65/51/33/814655133.db2.gz RFGBYIMVBIIWPH-UHFFFAOYSA-N -1 3 292.766 3.412 20 0 CGADHM C[C@@H]1CCc2c(sc([N-]c3nccs3)c2C(N)=O)C1 ZINC001210989325 814699489 /nfs/dbraw/zinc/69/94/89/814699489.db2.gz GECIQEQJBXPECN-SSDOTTSWSA-N -1 3 293.417 3.172 20 0 CGADHM CCOC(=O)c1nc(C2CC2)oc1[N-]c1ccc(C)cn1 ZINC001211010211 814705471 /nfs/dbraw/zinc/70/54/71/814705471.db2.gz JMKUOPCFNODWFQ-UHFFFAOYSA-N -1 3 287.319 3.176 20 0 CGADHM [O-]c1cc(Cl)c(Cl)cc1Nc1ccncn1 ZINC001211029514 814712107 /nfs/dbraw/zinc/71/21/07/814712107.db2.gz BUINPFCKIXXJSC-UHFFFAOYSA-N -1 3 256.092 3.233 20 0 CGADHM COc1ccc(Nc2nc3c(cccc3[O-])s2)c(C)n1 ZINC001211039874 814716208 /nfs/dbraw/zinc/71/62/08/814716208.db2.gz QLDKVGUXJYLCMO-UHFFFAOYSA-N -1 3 287.344 3.458 20 0 CGADHM COC(=O)c1ccc([N-]c2noc(C(C)(C)C)n2)cc1C ZINC001211170085 814840672 /nfs/dbraw/zinc/84/06/72/814840672.db2.gz YNDYTEGQSXEMHN-UHFFFAOYSA-N -1 3 289.335 3.206 20 0 CGADHM CC(C)(C)OC(=O)N1CCC(=Nc2c([O-])cccc2F)C1 ZINC001211313218 814878199 /nfs/dbraw/zinc/87/81/99/814878199.db2.gz HBWIIWCJJBYTHI-UHFFFAOYSA-N -1 3 294.326 3.078 20 0 CGADHM CCOCc1cncc(Nc2ncc(Cl)cc2[O-])c1 ZINC001215784968 815589869 /nfs/dbraw/zinc/58/98/69/815589869.db2.gz HJEVQIMIPWOQNE-UHFFFAOYSA-N -1 3 279.727 3.116 20 0 CGADHM CSc1cc(F)c(Nc2cnc(C)[n-]c2=O)c(F)c1 ZINC001215841392 815611902 /nfs/dbraw/zinc/61/19/02/815611902.db2.gz RKPHXNBHQBVNIL-UHFFFAOYSA-N -1 3 283.303 3.234 20 0 CGADHM Cc1cc(NC(=S)c2ccccc2N)cc([O-])c1F ZINC001216082330 815685719 /nfs/dbraw/zinc/68/57/19/815685719.db2.gz OQLZNIRRRHAKAY-UHFFFAOYSA-N -1 3 276.336 3.210 20 0 CGADHM COc1cnc(F)c([N-]c2cc(-c3ccccn3)no2)c1 ZINC001216408015 815815954 /nfs/dbraw/zinc/81/59/54/815815954.db2.gz YRVRHEKLCVUDSE-UHFFFAOYSA-N -1 3 286.266 3.023 20 0 CGADHM COc1cnc(F)c(Nc2cccc([O-])c2Cl)c1 ZINC001216409356 815817771 /nfs/dbraw/zinc/81/77/71/815817771.db2.gz KWHYUPJUSOXMLD-UHFFFAOYSA-N -1 3 268.675 3.332 20 0 CGADHM COc1c(Nc2cc(=O)[n-]c(C)n2)cccc1C(F)(F)F ZINC001216633267 815882195 /nfs/dbraw/zinc/88/21/95/815882195.db2.gz KPJQRTDAEYXWPX-UHFFFAOYSA-N -1 3 299.252 3.262 20 0 CGADHM CSc1ccccc1-c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001242947341 823184257 /nfs/dbraw/zinc/18/42/57/823184257.db2.gz WLMWBVKITWTUML-UHFFFAOYSA-N -1 3 286.335 3.395 20 0 CGADHM CSc1ccccc1-c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001242947341 823184259 /nfs/dbraw/zinc/18/42/59/823184259.db2.gz WLMWBVKITWTUML-UHFFFAOYSA-N -1 3 286.335 3.395 20 0 CGADHM [O-]c1cc(-c2cnc(-c3ccco3)cn2)ccc1F ZINC001243047217 823224615 /nfs/dbraw/zinc/22/46/15/823224615.db2.gz CWLDSNRTGURMAD-UHFFFAOYSA-N -1 3 256.236 3.248 20 0 CGADHM CC1(C)CNC(=O)c2cc(-c3ccc(F)c([O-])c3)ccc21 ZINC001243047543 823224758 /nfs/dbraw/zinc/22/47/58/823224758.db2.gz UMAPWJQJAUIMNI-UHFFFAOYSA-N -1 3 285.318 3.219 20 0 CGADHM COC(=O)c1cc2[nH]ccc2cc1-c1ccc(F)c([O-])c1 ZINC001243049558 823226966 /nfs/dbraw/zinc/22/69/66/823226966.db2.gz QYSQMPKQEWZMMU-UHFFFAOYSA-N -1 3 285.274 3.466 20 0 CGADHM [O-]c1cc(-c2c3ncnn3ccc2C(F)(F)F)ccc1F ZINC001243050985 823227676 /nfs/dbraw/zinc/22/76/76/823227676.db2.gz MDAWODHZYPNNRH-UHFFFAOYSA-N -1 3 297.211 3.260 20 0 CGADHM Cc1cc(-c2ccc(F)c([O-])c2)ccc1N1CCOCC1 ZINC001243050951 823227833 /nfs/dbraw/zinc/22/78/33/823227833.db2.gz IQDKKCZAWLARDK-UHFFFAOYSA-N -1 3 287.334 3.343 20 0 CGADHM CCOC(=O)c1ncc(-c2ccc(F)c([O-])c2)cc1C ZINC001243061545 823231939 /nfs/dbraw/zinc/23/19/39/823231939.db2.gz HSBBLFFUVOEMRH-UHFFFAOYSA-N -1 3 275.279 3.078 20 0 CGADHM [O-]c1coc2cc(O[C@@H]3CCOc4ccccc43)ccc12 ZINC001225342007 817018654 /nfs/dbraw/zinc/01/86/54/817018654.db2.gz HOUVXTIFDPIJIE-MRXNPFEDSA-N -1 3 282.295 3.164 20 0 CGADHM C[C@H](Cc1ccccc1)Oc1ccc2c([O-])coc2c1 ZINC001225341641 817018682 /nfs/dbraw/zinc/01/86/82/817018682.db2.gz CCWFVEIPUBMUDV-GFCCVEGCSA-N -1 3 268.312 3.272 20 0 CGADHM CC(C)C[C@@H](C)Oc1nc(=O)[n-]cc1C(F)(F)F ZINC001225576098 817097825 /nfs/dbraw/zinc/09/78/25/817097825.db2.gz BWSBALUDKJAMOK-SSDOTTSWSA-N -1 3 264.247 3.014 20 0 CGADHM C[C@H]1CC[C@@H](Oc2nc(=O)[n-]cc2C(F)(F)F)CC1 ZINC001225576853 817098280 /nfs/dbraw/zinc/09/82/80/817098280.db2.gz NQXYZUPGTYWHBN-OCAPTIKFSA-N -1 3 276.258 3.159 20 0 CGADHM Cc1ccc([C@H](C)Oc2[n-]c(=O)ncc2C(F)(F)F)cn1 ZINC001225579027 817099174 /nfs/dbraw/zinc/09/91/74/817099174.db2.gz ITTPGXKZULLZDX-QMMMGPOBSA-N -1 3 299.252 3.044 20 0 CGADHM Cc1cnc(=S)[n-]c1O[C@@H]1CCC=CCCC1 ZINC001225742730 817164316 /nfs/dbraw/zinc/16/43/16/817164316.db2.gz OXQBLGHKKJTPTO-LLVKDONJSA-N -1 3 250.367 3.341 20 0 CGADHM COCc1cc(O[C@H](C)c2cccs2)[n-]c(=S)n1 ZINC001225932099 817221800 /nfs/dbraw/zinc/22/18/00/817221800.db2.gz KGXCPPMBUVHCHL-MRVPVSSYSA-N -1 3 282.390 3.113 20 0 CGADHM COC1=CC[C@H](Oc2cc(C(C)=O)ccc2[O-])CC1 ZINC001225993319 817242165 /nfs/dbraw/zinc/24/21/65/817242165.db2.gz GRSWHCGDQZUURF-ZDUSSCGKSA-N -1 3 262.305 3.056 20 0 CGADHM CC(=O)c1cnc(=O)[n-]c1O[C@@H](c1ccccc1)C(C)C ZINC001226236793 817305369 /nfs/dbraw/zinc/30/53/69/817305369.db2.gz DBWLZXLPJFWUHH-CQSZACIVSA-N -1 3 286.331 3.161 20 0 CGADHM CC(=O)c1cnc(=O)[n-]c1O[C@@H](C)c1ccc(C)cc1C ZINC001226238809 817307379 /nfs/dbraw/zinc/30/73/79/817307379.db2.gz YVNYYNGMFUKSGX-LBPRGKRZSA-N -1 3 286.331 3.142 20 0 CGADHM CCc1nc(O[C@@H]2CCc3cc(C)ccc32)cc(=O)[n-]1 ZINC001226473380 817369022 /nfs/dbraw/zinc/36/90/22/817369022.db2.gz WCOQIFPFLDJSFP-CYBMUJFWSA-N -1 3 270.332 3.119 20 0 CGADHM CCCCC(=O)[C@@H](CCCC)Oc1cc(=O)[n-]c(C)n1 ZINC001226512845 817380516 /nfs/dbraw/zinc/38/05/16/817380516.db2.gz VQNNBIUIRXYQPL-CYBMUJFWSA-N -1 3 280.368 3.188 20 0 CGADHM Cc1cc(=O)oc2cc([O-])c(O[C@H](C)c3ccccn3)cc12 ZINC001226533088 817389488 /nfs/dbraw/zinc/38/94/88/817389488.db2.gz YRUYDOBRSPAQEL-LLVKDONJSA-N -1 3 297.310 3.342 20 0 CGADHM Cc1cc(=O)oc2cc([O-])c(O[C@@H]3C=CCCC3)cc12 ZINC001226531964 817389517 /nfs/dbraw/zinc/38/95/17/817389517.db2.gz KNSHHTLLYFHMRR-LLVKDONJSA-N -1 3 272.300 3.295 20 0 CGADHM Cc1cc(=O)oc2cc([O-])c(O[C@@H]3CCC[C@@H]3C)cc12 ZINC001226534570 817390111 /nfs/dbraw/zinc/39/01/11/817390111.db2.gz NARHWRXAUCCKID-TVQRCGJNSA-N -1 3 274.316 3.374 20 0 CGADHM OCc1cccc(-c2ccc3c(c2)[N-]C(=S)C3)c1F ZINC001243143569 823262104 /nfs/dbraw/zinc/26/21/04/823262104.db2.gz GKXRBJQWSQMAQN-UHFFFAOYSA-N -1 3 273.332 3.280 20 0 CGADHM CCOC(=O)[C@H]1CCC[C@@H]1Oc1cccc([O-])c1Cl ZINC001226710970 817441914 /nfs/dbraw/zinc/44/19/14/817441914.db2.gz FVVNRZUSAYZHBO-ONGXEEELSA-N -1 3 284.739 3.156 20 0 CGADHM Cc1cnc(F)c([C@@H](C)Oc2cc(C)nc(=S)[n-]2)c1 ZINC001226803055 817470297 /nfs/dbraw/zinc/47/02/97/817470297.db2.gz NFBGXBNFNWLAHD-SECBINFHSA-N -1 3 279.340 3.056 20 0 CGADHM CCc1cnc(=S)[n-]c1O[C@@H](C)c1ccncc1F ZINC001227062373 817548089 /nfs/dbraw/zinc/54/80/89/817548089.db2.gz VHBNBNBUZBZPLH-QMMMGPOBSA-N -1 3 279.340 3.002 20 0 CGADHM C[C@H](Oc1ccc(=O)[n-]n1)c1cccc(Br)c1 ZINC001227093731 817556514 /nfs/dbraw/zinc/55/65/14/817556514.db2.gz QSJXVRXGNYCHEJ-QMMMGPOBSA-N -1 3 295.136 3.085 20 0 CGADHM C[C@@H](Oc1cc(=O)cc(C(F)(F)F)[n-]1)c1cccnc1 ZINC001227586375 817676111 /nfs/dbraw/zinc/67/61/11/817676111.db2.gz KIWOGSRXJOCKMI-MRVPVSSYSA-N -1 3 284.237 3.341 20 0 CGADHM Cc1ccc(-c2cnccc2/C=C/N(C)C)cc1C(=O)[O-] ZINC001243199395 823287398 /nfs/dbraw/zinc/28/73/98/823287398.db2.gz REHLKJMIVWESFD-VQHVLOKHSA-N -1 3 282.343 3.288 20 0 CGADHM CC(C)Oc1cc(COc2ncc(Cl)cc2[O-])ccn1 ZINC001227983974 817774161 /nfs/dbraw/zinc/77/41/61/817774161.db2.gz XZEGIXUILSUZKY-UHFFFAOYSA-N -1 3 294.738 3.202 20 0 CGADHM CSc1ccc(F)c(-c2ccc(=S)[n-]n2)c1F ZINC001243205907 823290507 /nfs/dbraw/zinc/29/05/07/823290507.db2.gz MKVXBXYIKMASOE-UHFFFAOYSA-N -1 3 270.329 3.432 20 0 CGADHM CCCc1c([O-])ccc(C(C)=O)c1O[C@H]1CCOC[C@H]1F ZINC001228136696 817821991 /nfs/dbraw/zinc/82/19/91/817821991.db2.gz PTJWZBVJLKYZPT-HIFRSBDPSA-N -1 3 296.338 3.053 20 0 CGADHM O=C(c1ccccc1)c1ccc([O-])c(OC[C@@H]2CCCO2)c1 ZINC001228153438 817827306 /nfs/dbraw/zinc/82/73/06/817827306.db2.gz DTTRQUYDBZTLQB-HNNXBMFYSA-N -1 3 298.338 3.181 20 0 CGADHM Cc1cc(=O)oc2c1ccc([O-])c2O[C@H](C)C(F)(F)F ZINC001228627563 817956486 /nfs/dbraw/zinc/95/64/86/817956486.db2.gz FQMIFRPOVVIDRX-SSDOTTSWSA-N -1 3 288.221 3.137 20 0 CGADHM CCC[C@H](Oc1nnc(-c2cccnc2)[n-]1)C(C)C ZINC001228698180 817977847 /nfs/dbraw/zinc/97/78/47/817977847.db2.gz OIRPMHSIVILINY-LBPRGKRZSA-N -1 3 260.341 3.070 20 0 CGADHM CCC[C@H](Oc1nc(-c2cccnc2)n[n-]1)C(C)C ZINC001228698180 817977852 /nfs/dbraw/zinc/97/78/52/817977852.db2.gz OIRPMHSIVILINY-LBPRGKRZSA-N -1 3 260.341 3.070 20 0 CGADHM CCC[C@H](Oc1n[n-]c(-c2cccnc2)n1)C(C)C ZINC001228698180 817977856 /nfs/dbraw/zinc/97/78/56/817977856.db2.gz OIRPMHSIVILINY-LBPRGKRZSA-N -1 3 260.341 3.070 20 0 CGADHM C[C@H]1CCC[C@H](C)C1Oc1n[n-]c(-c2ccncc2)n1 ZINC001228699072 817979376 /nfs/dbraw/zinc/97/93/76/817979376.db2.gz DDMMVPWRTPFATL-QWRGUYRKSA-N -1 3 272.352 3.070 20 0 CGADHM C[C@@H]1CCCC[C@H]1Oc1cc2c(cc1[O-])CCC2=O ZINC001228853782 818023479 /nfs/dbraw/zinc/02/34/79/818023479.db2.gz KTRKHEPFPZVPSA-MEBBXXQBSA-N -1 3 260.333 3.479 20 0 CGADHM O=C1CCc2cc([O-])c(O[C@H]3CCCC[C@@H]3F)cc21 ZINC001228854289 818023808 /nfs/dbraw/zinc/02/38/08/818023808.db2.gz QMUQLLNKELVPCP-FZMZJTMJSA-N -1 3 264.296 3.181 20 0 CGADHM CCCC(=O)[C@@H](CCC)Oc1cc2c(cc1[O-])CCC2=O ZINC001228854243 818024161 /nfs/dbraw/zinc/02/41/61/818024161.db2.gz PIPPTPYWPAREQY-MRXNPFEDSA-N -1 3 290.359 3.438 20 0 CGADHM Cc1cccc2c1CC[C@H]2Oc1cccc(-c2nnn[n-]2)c1 ZINC001231115230 818034858 /nfs/dbraw/zinc/03/48/58/818034858.db2.gz FGHPVLNHKRHGKJ-MRXNPFEDSA-N -1 3 292.342 3.241 20 0 CGADHM Cc1cccc2c1CC[C@H]2Oc1cccc(-c2nn[n-]n2)c1 ZINC001231115230 818034862 /nfs/dbraw/zinc/03/48/62/818034862.db2.gz FGHPVLNHKRHGKJ-MRXNPFEDSA-N -1 3 292.342 3.241 20 0 CGADHM CC[C@@H](Oc1cccc(-c2nnn[n-]2)c1)C(C)(C)C ZINC001231118310 818035721 /nfs/dbraw/zinc/03/57/21/818035721.db2.gz LFWQGFPFYPHQML-GFCCVEGCSA-N -1 3 260.341 3.070 20 0 CGADHM CC[C@@H](Oc1cccc(-c2nn[n-]n2)c1)C(C)(C)C ZINC001231118310 818035725 /nfs/dbraw/zinc/03/57/25/818035725.db2.gz LFWQGFPFYPHQML-GFCCVEGCSA-N -1 3 260.341 3.070 20 0 CGADHM Cc1ccc([O-])c(CN(C)Cc2csc(C(C)C)n2)n1 ZINC001231674233 818156980 /nfs/dbraw/zinc/15/69/80/818156980.db2.gz HXHNFUSUQPTPKT-UHFFFAOYSA-N -1 3 291.420 3.308 20 0 CGADHM [O-]c1cccc(CN2CC[C@H]3CCCO[C@@H]3C2)c1Cl ZINC001232785693 818438952 /nfs/dbraw/zinc/43/89/52/818438952.db2.gz HFOWTMHKYBCRSU-BXUZGUMPSA-N -1 3 281.783 3.047 20 0 CGADHM CC[C@H]1CCCCN1Cc1cc([O-])c(F)c(F)c1 ZINC001232972935 818488426 /nfs/dbraw/zinc/48/84/26/818488426.db2.gz HGCLGYBZTXCIEY-NSHDSACASA-N -1 3 255.308 3.435 20 0 CGADHM C[C@@H]1CN(Cc2cc([O-])c(F)c(F)c2)C2(CC2)C1 ZINC001232975226 818489694 /nfs/dbraw/zinc/48/96/94/818489694.db2.gz HUPCWRCIJIYTLL-VIFPVBQESA-N -1 3 253.292 3.045 20 0 CGADHM [O-]c1cnc(Cl)cc1CN1CC2(C1)CCCCC2 ZINC001233037590 818508488 /nfs/dbraw/zinc/50/84/88/818508488.db2.gz CXMLMYHEQRKCSB-UHFFFAOYSA-N -1 3 266.772 3.207 20 0 CGADHM CN(Cc1cnc(Cl)s1)Cc1cccc([O-])c1F ZINC001233049964 818511554 /nfs/dbraw/zinc/51/15/54/818511554.db2.gz JVPYMJJBHXTASS-UHFFFAOYSA-N -1 3 286.759 3.273 20 0 CGADHM Cc1ccn2cc(CN(C)Cc3cccc([O-])c3F)nc2c1 ZINC001233055123 818513818 /nfs/dbraw/zinc/51/38/18/818513818.db2.gz KJZIDBKMZKNSCS-UHFFFAOYSA-N -1 3 299.349 3.119 20 0 CGADHM O=C1CCN(Cc2c(F)ccc([O-])c2F)[C@@H]2CCCC[C@H]12 ZINC001233393194 818608568 /nfs/dbraw/zinc/60/85/68/818608568.db2.gz HLDVGMXFVYIUTO-GXFFZTMASA-N -1 3 295.329 3.004 20 0 CGADHM [O-]c1ccc(F)c(CN2CC[C@H]3CCC[C@H]3C2)c1F ZINC001233393862 818609103 /nfs/dbraw/zinc/60/91/03/818609103.db2.gz PFYKGTCMRBHHSW-MNOVXSKESA-N -1 3 267.319 3.292 20 0 CGADHM COc1ccc(CN2CCCC[C@H](F)C2)c(Cl)c1[O-] ZINC001233397595 818610392 /nfs/dbraw/zinc/61/03/92/818610392.db2.gz FYXWMGFBCWECMS-NSHDSACASA-N -1 3 287.762 3.378 20 0 CGADHM CO[C@H](C)CO[C@@H](C)COc1cc(Cl)c([O-])cc1C ZINC001233596278 818654204 /nfs/dbraw/zinc/65/42/04/818654204.db2.gz XDBWSRRNHMERAZ-MNOVXSKESA-N -1 3 288.771 3.173 20 0 CGADHM Cc1cc([O-])c(Cl)cc1O[C@H]1CCO[C@H](C)C1 ZINC001233595143 818654238 /nfs/dbraw/zinc/65/42/38/818654238.db2.gz QLPVTJFGPYXRPX-ZJUUUORDSA-N -1 3 256.729 3.300 20 0 CGADHM CC1(C)CC(Oc2cccc([O-])c2F)CC(C)(C)N1O ZINC001233867097 818720395 /nfs/dbraw/zinc/72/03/95/818720395.db2.gz BCNIGIFEDRSVHQ-UHFFFAOYSA-N -1 3 283.343 3.321 20 0 CGADHM CO[C@H](C)CO[C@@H](C)COc1c(Cl)ccc([O-])c1F ZINC001234262419 818819978 /nfs/dbraw/zinc/81/99/78/818819978.db2.gz ATBRJKRXPWUOOC-BDAKNGLRSA-N -1 3 292.734 3.004 20 0 CGADHM CCCOC[C@H](C)Oc1c(Cl)ccc([O-])c1F ZINC001234263846 818820866 /nfs/dbraw/zinc/82/08/66/818820866.db2.gz IWMYMVYSXYKTFS-QMMMGPOBSA-N -1 3 262.708 3.379 20 0 CGADHM Clc1cc(-c2ccccc2-c2nnn[n-]2)cc(Cl)n1 ZINC001243368527 823373911 /nfs/dbraw/zinc/37/39/11/823373911.db2.gz BVOOENDXLGQLAV-UHFFFAOYSA-N -1 3 292.129 3.236 20 0 CGADHM Clc1cc(-c2ccccc2-c2nn[n-]n2)cc(Cl)n1 ZINC001243368527 823373918 /nfs/dbraw/zinc/37/39/18/823373918.db2.gz BVOOENDXLGQLAV-UHFFFAOYSA-N -1 3 292.129 3.236 20 0 CGADHM C[C@H](Oc1cccc2c1CCN(C)C2)C1=CC=C[CH]1 ZINC001234424054 818852524 /nfs/dbraw/zinc/85/25/24/818852524.db2.gz OBGCKTHONHDGNB-ZDUSSCGKSA-N -1 3 254.353 3.142 20 0 CGADHM COc1cc([O-])c(C)c(O[C@H]2C=CCC2)c1C(C)=O ZINC001234793182 818924639 /nfs/dbraw/zinc/92/46/39/818924639.db2.gz MUSINIAYAHKSEK-NSHDSACASA-N -1 3 262.305 3.009 20 0 CGADHM [O-]c1cc(Cl)cc(-c2nccc(NCC3CC3)n2)c1 ZINC001235898841 819209193 /nfs/dbraw/zinc/20/91/93/819209193.db2.gz DRQTXXODWJNOMF-UHFFFAOYSA-N -1 3 275.739 3.325 20 0 CGADHM CCN(C)c1nc(-c2cc([O-])cc(Cl)c2)ncc1C ZINC001235899310 819209623 /nfs/dbraw/zinc/20/96/23/819209623.db2.gz IUQPYRBIDKMYDQ-UHFFFAOYSA-N -1 3 277.755 3.267 20 0 CGADHM NC(=O)c1cc(-c2cc([O-])cc(Cl)c2)nc2ccccc21 ZINC001235901150 819210401 /nfs/dbraw/zinc/21/04/01/819210401.db2.gz RDBNBPYDDCQJAX-UHFFFAOYSA-N -1 3 298.729 3.360 20 0 CGADHM COc1ccc(-c2cc([O-])cc(Cl)c2)nc1OC ZINC001235900350 819211294 /nfs/dbraw/zinc/21/12/94/819211294.db2.gz VAPIIELMSRNGHM-UHFFFAOYSA-N -1 3 265.696 3.125 20 0 CGADHM [O-]c1cc(CN2CCCC(F)(F)[C@H](F)C2)ccc1F ZINC001236701037 819575587 /nfs/dbraw/zinc/57/55/87/819575587.db2.gz APRBLXCRNFMJSO-GFCCVEGCSA-N -1 3 277.261 3.101 20 0 CGADHM [O-]c1cc(CN2CC(c3ccccc3)C2)ccc1F ZINC001236706973 819576612 /nfs/dbraw/zinc/57/66/12/819576612.db2.gz BPIGURBLHMJBKI-UHFFFAOYSA-N -1 3 257.308 3.131 20 0 CGADHM C[C@@]1(F)CCCCN(Cc2sc(=O)[n-]c2Cl)C1 ZINC001237159630 819683963 /nfs/dbraw/zinc/68/39/63/819683963.db2.gz DKNCHEZUJQVGJX-LLVKDONJSA-N -1 3 278.780 3.216 20 0 CGADHM [O-]c1cc(F)cc(CN2Cc3cnc(Cl)cc3C2)c1 ZINC001237285811 819718133 /nfs/dbraw/zinc/71/81/33/819718133.db2.gz CKRAXUHNGYYGOV-UHFFFAOYSA-N -1 3 278.714 3.096 20 0 CGADHM COc1nc2ccccc2nc1-c1cccc([O-])c1F ZINC001243541448 823435909 /nfs/dbraw/zinc/43/59/09/823435909.db2.gz BOVOKYNNXJMMJQ-UHFFFAOYSA-N -1 3 270.263 3.150 20 0 CGADHM COC(OC)c1ccccc1-c1cccc([O-])c1F ZINC001243546064 823438630 /nfs/dbraw/zinc/43/86/30/823438630.db2.gz GSYFIMKROMTOJM-UHFFFAOYSA-N -1 3 262.280 3.490 20 0 CGADHM C[C@@H]1CCc2nnc(-c3cccc([O-])c3F)cc2C1 ZINC001243546928 823438672 /nfs/dbraw/zinc/43/86/72/823438672.db2.gz RHPCTIAUJMLBCT-SECBINFHSA-N -1 3 258.296 3.113 20 0 CGADHM COC(=O)c1cc(F)c(-c2cccc([O-])c2F)cc1F ZINC001243547211 823439372 /nfs/dbraw/zinc/43/93/72/823439372.db2.gz NDLKKAAYTADFDT-UHFFFAOYSA-N -1 3 282.217 3.263 20 0 CGADHM COC(=O)c1cc2ncoc2c(-c2cccc([O-])c2F)c1 ZINC001243547203 823439549 /nfs/dbraw/zinc/43/95/49/823439549.db2.gz MRVLWHXPRGTAAR-UHFFFAOYSA-N -1 3 287.246 3.126 20 0 CGADHM CSc1cc(-c2ccccc2-c2nnn[n-]2)ccc1F ZINC001238960332 820170358 /nfs/dbraw/zinc/17/03/58/820170358.db2.gz DYSRBPYFQZRTFY-UHFFFAOYSA-N -1 3 286.335 3.395 20 0 CGADHM CSc1cc(-c2ccccc2-c2nn[n-]n2)ccc1F ZINC001238960332 820170361 /nfs/dbraw/zinc/17/03/61/820170361.db2.gz DYSRBPYFQZRTFY-UHFFFAOYSA-N -1 3 286.335 3.395 20 0 CGADHM Fc1ccc(-c2nnn[n-]2)cc1-c1coc2ccccc12 ZINC001239063819 820210151 /nfs/dbraw/zinc/21/01/51/820210151.db2.gz FRNOZWQYJIMVDG-UHFFFAOYSA-N -1 3 280.262 3.419 20 0 CGADHM Fc1ccc(-c2nn[n-]n2)cc1-c1coc2ccccc12 ZINC001239063819 820210161 /nfs/dbraw/zinc/21/01/61/820210161.db2.gz FRNOZWQYJIMVDG-UHFFFAOYSA-N -1 3 280.262 3.419 20 0 CGADHM Cc1ccc(-c2c(C)cccc2C)cc1-c1nnn[n-]1 ZINC001239599245 820445305 /nfs/dbraw/zinc/44/53/05/820445305.db2.gz JMOVOKMUYLMECT-UHFFFAOYSA-N -1 3 264.332 3.459 20 0 CGADHM Cc1ccc(-c2c(C)cccc2C)cc1-c1nn[n-]n1 ZINC001239599245 820445310 /nfs/dbraw/zinc/44/53/10/820445310.db2.gz JMOVOKMUYLMECT-UHFFFAOYSA-N -1 3 264.332 3.459 20 0 CGADHM Cc1cccc(-c2ccc(F)c(-c3nnn[n-]3)c2)c1C ZINC001239716666 820543910 /nfs/dbraw/zinc/54/39/10/820543910.db2.gz QRRVMVCJTBWFIB-UHFFFAOYSA-N -1 3 268.295 3.290 20 0 CGADHM Cc1cccc(-c2ccc(F)c(-c3nn[n-]n3)c2)c1C ZINC001239716666 820543911 /nfs/dbraw/zinc/54/39/11/820543911.db2.gz QRRVMVCJTBWFIB-UHFFFAOYSA-N -1 3 268.295 3.290 20 0 CGADHM Cc1ccc(-c2ccc(F)c(-c3nnn[n-]3)c2)c(C)c1 ZINC001239810782 820625967 /nfs/dbraw/zinc/62/59/67/820625967.db2.gz GQRBHCCHDKSILU-UHFFFAOYSA-N -1 3 268.295 3.290 20 0 CGADHM Cc1ccc(-c2ccc(F)c(-c3nn[n-]n3)c2)c(C)c1 ZINC001239810782 820625971 /nfs/dbraw/zinc/62/59/71/820625971.db2.gz GQRBHCCHDKSILU-UHFFFAOYSA-N -1 3 268.295 3.290 20 0 CGADHM Fc1ccc2[nH]ccc2c1-c1cccc(-c2nnn[n-]2)c1 ZINC001240219685 820894597 /nfs/dbraw/zinc/89/45/97/820894597.db2.gz NFARNSQWABFPJY-UHFFFAOYSA-N -1 3 279.278 3.154 20 0 CGADHM Fc1ccc2[nH]ccc2c1-c1cccc(-c2nn[n-]n2)c1 ZINC001240219685 820894609 /nfs/dbraw/zinc/89/46/09/820894609.db2.gz NFARNSQWABFPJY-UHFFFAOYSA-N -1 3 279.278 3.154 20 0 CGADHM CC1(c2cccc(-c3ccc([O-])c(F)c3)c2)OCCO1 ZINC001240786598 821326763 /nfs/dbraw/zinc/32/67/63/821326763.db2.gz PTCGAUSCROTOOM-UHFFFAOYSA-N -1 3 274.291 3.418 20 0 CGADHM [O-]c1ccc(-c2ccc(OCC3CC3)nc2)cc1F ZINC001240787876 821329447 /nfs/dbraw/zinc/32/94/47/821329447.db2.gz UYFWCZYMJLQUIF-UHFFFAOYSA-N -1 3 259.280 3.382 20 0 CGADHM O=C1NCCC/C1=C\c1cccc(-c2ccc([O-])c(F)c2)c1 ZINC001240787453 821330017 /nfs/dbraw/zinc/33/00/17/821330017.db2.gz FLIKYTZIXBLYCC-XNTDXEJSSA-N -1 3 297.329 3.492 20 0 CGADHM O=C1CC[C@@H](c2ccc(-c3ccc([O-])c(F)c3)cc2)N1 ZINC001240788140 821330993 /nfs/dbraw/zinc/33/09/93/821330993.db2.gz BXHDGWIQCWYPNJ-AWEZNQCLSA-N -1 3 271.291 3.149 20 0 CGADHM Fc1cc(-c2nnn[n-]2)cc(-c2cccc3cccnc32)c1 ZINC001240895734 821399220 /nfs/dbraw/zinc/39/92/20/821399220.db2.gz RBWZHICXKNJCCZ-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Fc1cc(-c2nn[n-]n2)cc(-c2cccc3cccnc32)c1 ZINC001240895734 821399227 /nfs/dbraw/zinc/39/92/27/821399227.db2.gz RBWZHICXKNJCCZ-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Fc1ccc(-c2nnn[n-]2)cc1-c1cccc2cccnc21 ZINC001240896427 821399876 /nfs/dbraw/zinc/39/98/76/821399876.db2.gz XQTQBWRFZKZBLE-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Fc1ccc(-c2nn[n-]n2)cc1-c1cccc2cccnc21 ZINC001240896427 821399887 /nfs/dbraw/zinc/39/98/87/821399887.db2.gz XQTQBWRFZKZBLE-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Fc1cc(-c2cccc3ncccc32)ccc1-c1nnn[n-]1 ZINC001240939833 821430424 /nfs/dbraw/zinc/43/04/24/821430424.db2.gz NLBNQNOISBHVMC-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Fc1cc(-c2cccc3ncccc32)ccc1-c1nn[n-]n1 ZINC001240939833 821430425 /nfs/dbraw/zinc/43/04/25/821430425.db2.gz NLBNQNOISBHVMC-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Cc1ccc(-c2cc(F)c(F)c(F)c2)cc1-c1nnn[n-]1 ZINC001240981422 821463780 /nfs/dbraw/zinc/46/37/80/821463780.db2.gz LGUVVJWOHXTLNA-UHFFFAOYSA-N -1 3 290.248 3.259 20 0 CGADHM Cc1ccc(-c2cc(F)c(F)c(F)c2)cc1-c1nn[n-]n1 ZINC001240981422 821463782 /nfs/dbraw/zinc/46/37/82/821463782.db2.gz LGUVVJWOHXTLNA-UHFFFAOYSA-N -1 3 290.248 3.259 20 0 CGADHM Cc1ccc(-c2ccc(-c3ccccc3[O-])nn2)o1 ZINC001241007932 821485193 /nfs/dbraw/zinc/48/51/93/821485193.db2.gz CDXPNZPVHPBQPI-UHFFFAOYSA-N -1 3 252.273 3.418 20 0 CGADHM COc1cc2c(cc1F)ncnc2-c1ccccc1[O-] ZINC001241009086 821485217 /nfs/dbraw/zinc/48/52/17/821485217.db2.gz ZCZOGZZHOJVOOW-UHFFFAOYSA-N -1 3 270.263 3.150 20 0 CGADHM CCOc1cc(F)cc(-c2ccc(-c3nnn[n-]3)cc2C)c1 ZINC001241026441 821500920 /nfs/dbraw/zinc/50/09/20/821500920.db2.gz HREPWSZMSUDFGT-UHFFFAOYSA-N -1 3 298.321 3.380 20 0 CGADHM CCOc1cc(F)cc(-c2ccc(-c3nn[n-]n3)cc2C)c1 ZINC001241026441 821500921 /nfs/dbraw/zinc/50/09/21/821500921.db2.gz HREPWSZMSUDFGT-UHFFFAOYSA-N -1 3 298.321 3.380 20 0 CGADHM COc1cc(-c2ccc(C)c(-c3nnn[n-]3)c2)ccc1C ZINC001241039468 821514781 /nfs/dbraw/zinc/51/47/81/821514781.db2.gz XSCJTRCTTYVJPL-UHFFFAOYSA-N -1 3 280.331 3.159 20 0 CGADHM COc1cc(-c2ccc(C)c(-c3nn[n-]n3)c2)ccc1C ZINC001241039468 821514782 /nfs/dbraw/zinc/51/47/82/821514782.db2.gz XSCJTRCTTYVJPL-UHFFFAOYSA-N -1 3 280.331 3.159 20 0 CGADHM COc1cc(C)c(-c2ccc(-c3nnn[n-]3)c(F)c2)cc1C ZINC001241136658 821591194 /nfs/dbraw/zinc/59/11/94/821591194.db2.gz UBKTVKWQFPKGKD-UHFFFAOYSA-N -1 3 298.321 3.298 20 0 CGADHM COc1cc(C)c(-c2ccc(-c3nn[n-]n3)c(F)c2)cc1C ZINC001241136658 821591198 /nfs/dbraw/zinc/59/11/98/821591198.db2.gz UBKTVKWQFPKGKD-UHFFFAOYSA-N -1 3 298.321 3.298 20 0 CGADHM CCOc1ccc(C)cc1-c1cc(-c2nnn[n-]2)ccc1F ZINC001241147913 821600453 /nfs/dbraw/zinc/60/04/53/821600453.db2.gz RYDULNJOBSGAJJ-UHFFFAOYSA-N -1 3 298.321 3.380 20 0 CGADHM CCOc1ccc(C)cc1-c1cc(-c2nn[n-]n2)ccc1F ZINC001241147913 821600458 /nfs/dbraw/zinc/60/04/58/821600458.db2.gz RYDULNJOBSGAJJ-UHFFFAOYSA-N -1 3 298.321 3.380 20 0 CGADHM Cc1ccc(C)c(-c2ccc(C)c(-c3nnn[n-]3)c2)c1 ZINC001241192260 821627763 /nfs/dbraw/zinc/62/77/63/821627763.db2.gz YVCJQMXXKUCKAI-UHFFFAOYSA-N -1 3 264.332 3.459 20 0 CGADHM Cc1ccc(C)c(-c2ccc(C)c(-c3nn[n-]n3)c2)c1 ZINC001241192260 821627769 /nfs/dbraw/zinc/62/77/69/821627769.db2.gz YVCJQMXXKUCKAI-UHFFFAOYSA-N -1 3 264.332 3.459 20 0 CGADHM COc1nc2ccccc2nc1-c1cc([O-])cc(F)c1 ZINC001241257569 821677354 /nfs/dbraw/zinc/67/73/54/821677354.db2.gz LOICKFGZHHIMGW-UHFFFAOYSA-N -1 3 270.263 3.150 20 0 CGADHM CCCSc1ncnc(-c2cc([O-])cc(F)c2)c1OC ZINC001241261387 821681148 /nfs/dbraw/zinc/68/11/48/821681148.db2.gz MMSAMJSKPACMCN-UHFFFAOYSA-N -1 3 294.351 3.499 20 0 CGADHM [O-]c1cc(F)cc(-c2nc(CC3CC3)nc3[nH]ccc32)c1 ZINC001241267026 821686752 /nfs/dbraw/zinc/68/67/52/821686752.db2.gz RNEUUEJRCJFESQ-UHFFFAOYSA-N -1 3 283.306 3.374 20 0 CGADHM CCOC(=O)c1ccccc1-c1cc([O-])cc(F)c1 ZINC001241270985 821690020 /nfs/dbraw/zinc/69/00/20/821690020.db2.gz GTKCDSCMSGHLKS-UHFFFAOYSA-N -1 3 260.264 3.375 20 0 CGADHM COC(=O)c1c(C)cc(-c2cc([O-])cc(F)c2)cc1F ZINC001241276757 821695349 /nfs/dbraw/zinc/69/53/49/821695349.db2.gz CBJZIEWWLJROKN-UHFFFAOYSA-N -1 3 278.254 3.432 20 0 CGADHM O=c1c(-c2cc([O-])cc(F)c2)cccn1Cc1ccccc1 ZINC001241280929 821699836 /nfs/dbraw/zinc/69/98/36/821699836.db2.gz ZHSVGKFHELCXJG-UHFFFAOYSA-N -1 3 295.313 3.408 20 0 CGADHM COC(=O)c1nc2cccc(-c3cc([O-])cc(F)c3)c2o1 ZINC001241281499 821701304 /nfs/dbraw/zinc/70/13/04/821701304.db2.gz CYCLHSCQUFNVBF-UHFFFAOYSA-N -1 3 287.246 3.126 20 0 CGADHM [O-]c1ccc(F)c(-c2ccc(-c3nnco3)cc2)c1F ZINC001241292774 821710473 /nfs/dbraw/zinc/71/04/73/821710473.db2.gz GLMJUVQOUAKLIY-UHFFFAOYSA-N -1 3 274.226 3.387 20 0 CGADHM COC(=O)c1cc(F)cc(-c2c(F)ccc([O-])c2F)c1 ZINC001241294122 821712178 /nfs/dbraw/zinc/71/21/78/821712178.db2.gz VTIHMAWZLMZZMP-UHFFFAOYSA-N -1 3 282.217 3.263 20 0 CGADHM [O-]c1ccc(F)c(-c2ccc3ccnnc3c2)c1F ZINC001241293893 821712629 /nfs/dbraw/zinc/71/26/29/821712629.db2.gz PTQQGSDHASVUBQ-UHFFFAOYSA-N -1 3 258.227 3.281 20 0 CGADHM O=C1CC[C@H](c2ccc(-c3c(F)ccc([O-])c3F)cc2)N1 ZINC001241295252 821713726 /nfs/dbraw/zinc/71/37/26/821713726.db2.gz KZUFPQXNNHQYTR-GFCCVEGCSA-N -1 3 289.281 3.289 20 0 CGADHM CSc1cccc(-c2ccccc2-c2nnn[n-]2)c1 ZINC001241314328 821724697 /nfs/dbraw/zinc/72/46/97/821724697.db2.gz HWXXGMXOURFSOR-UHFFFAOYSA-N -1 3 268.345 3.256 20 0 CGADHM CSc1cccc(-c2ccccc2-c2nn[n-]n2)c1 ZINC001241314328 821724699 /nfs/dbraw/zinc/72/46/99/821724699.db2.gz HWXXGMXOURFSOR-UHFFFAOYSA-N -1 3 268.345 3.256 20 0 CGADHM CSc1cccc(-c2ccc(Cc3nnn[n-]3)cc2)c1 ZINC001241316513 821726969 /nfs/dbraw/zinc/72/69/69/821726969.db2.gz YWMRMXNYYBAXRC-UHFFFAOYSA-N -1 3 282.372 3.179 20 0 CGADHM CSc1cccc(-c2ccc(Cc3nn[n-]n3)cc2)c1 ZINC001241316513 821726972 /nfs/dbraw/zinc/72/69/72/821726972.db2.gz YWMRMXNYYBAXRC-UHFFFAOYSA-N -1 3 282.372 3.179 20 0 CGADHM CCOc1cc(F)ccc1-c1ccc(-c2nnn[n-]2)cc1C ZINC001241322247 821731424 /nfs/dbraw/zinc/73/14/24/821731424.db2.gz NXZIIQVZCKVAPZ-UHFFFAOYSA-N -1 3 298.321 3.380 20 0 CGADHM CCOc1cc(F)ccc1-c1ccc(-c2nn[n-]n2)cc1C ZINC001241322247 821731429 /nfs/dbraw/zinc/73/14/29/821731429.db2.gz NXZIIQVZCKVAPZ-UHFFFAOYSA-N -1 3 298.321 3.380 20 0 CGADHM c1cc2c(c(-c3ccc(-c4nnn[n-]4)cc3)c1)CCC2 ZINC001241443240 821835852 /nfs/dbraw/zinc/83/58/52/821835852.db2.gz QXRMGQNAFVYAPN-UHFFFAOYSA-N -1 3 262.316 3.022 20 0 CGADHM c1cc2c(c(-c3ccc(-c4nn[n-]n4)cc3)c1)CCC2 ZINC001241443240 821835857 /nfs/dbraw/zinc/83/58/57/821835857.db2.gz QXRMGQNAFVYAPN-UHFFFAOYSA-N -1 3 262.316 3.022 20 0 CGADHM Cc1cc(F)c(F)cc1-c1ccc(-c2nnn[n-]2)cc1 ZINC001241445679 821840501 /nfs/dbraw/zinc/84/05/01/821840501.db2.gz UFUZMCZRVOOPRC-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM Cc1cc(F)c(F)cc1-c1ccc(-c2nn[n-]n2)cc1 ZINC001241445679 821840512 /nfs/dbraw/zinc/84/05/12/821840512.db2.gz UFUZMCZRVOOPRC-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM CC(C)(C)c1cc(-c2ccc(-c3nnn[n-]3)cc2)ccn1 ZINC001241445762 821841445 /nfs/dbraw/zinc/84/14/45/821841445.db2.gz AQFNHOXLJGWQGV-UHFFFAOYSA-N -1 3 279.347 3.226 20 0 CGADHM CC(C)(C)c1cc(-c2ccc(-c3nn[n-]n3)cc2)ccn1 ZINC001241445762 821841454 /nfs/dbraw/zinc/84/14/54/821841454.db2.gz AQFNHOXLJGWQGV-UHFFFAOYSA-N -1 3 279.347 3.226 20 0 CGADHM CN1CCC=C(c2ccc3sc(=S)[n-]c3c2)C1 ZINC001241570441 821957364 /nfs/dbraw/zinc/95/73/64/821957364.db2.gz KKHVFZXSCWNLCQ-UHFFFAOYSA-N -1 3 262.403 3.304 20 0 CGADHM c1nn(C2CCCCC2)cc1-c1ccc(-c2nnn[n-]2)cc1 ZINC001241844698 822178385 /nfs/dbraw/zinc/17/83/85/822178385.db2.gz QDTZQMVOWXAUAG-UHFFFAOYSA-N -1 3 294.362 3.235 20 0 CGADHM c1nn(C2CCCCC2)cc1-c1ccc(-c2nn[n-]n2)cc1 ZINC001241844698 822178387 /nfs/dbraw/zinc/17/83/87/822178387.db2.gz QDTZQMVOWXAUAG-UHFFFAOYSA-N -1 3 294.362 3.235 20 0 CGADHM COc1cccc(-c2ccc(-c3nnn[n-]3)cc2)c1Cl ZINC001241859076 822182745 /nfs/dbraw/zinc/18/27/45/822182745.db2.gz CZEFRFWTPPVNQG-UHFFFAOYSA-N -1 3 286.722 3.196 20 0 CGADHM COc1cccc(-c2ccc(-c3nn[n-]n3)cc2)c1Cl ZINC001241859076 822182748 /nfs/dbraw/zinc/18/27/48/822182748.db2.gz CZEFRFWTPPVNQG-UHFFFAOYSA-N -1 3 286.722 3.196 20 0 CGADHM C=Cc1cccc(-c2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC001241962177 822248374 /nfs/dbraw/zinc/24/83/74/822248374.db2.gz TUVMKGNYGTVBLT-UHFFFAOYSA-N -1 3 266.279 3.316 20 0 CGADHM C=Cc1cccc(-c2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC001241962177 822248380 /nfs/dbraw/zinc/24/83/80/822248380.db2.gz TUVMKGNYGTVBLT-UHFFFAOYSA-N -1 3 266.279 3.316 20 0 CGADHM Cc1ncnc(C)c1-c1ccc([O-])c(C(F)(F)F)c1 ZINC001242158454 822899394 /nfs/dbraw/zinc/89/93/94/822899394.db2.gz ZISRXEPBUBSLBF-UHFFFAOYSA-N -1 3 268.238 3.485 20 0 CGADHM CC(C)Cn1cc(-c2ccc(F)cc2[O-])ccc1=O ZINC001242219759 822916331 /nfs/dbraw/zinc/91/63/31/822916331.db2.gz PJFXOXXLCSOVJF-UHFFFAOYSA-N -1 3 261.296 3.016 20 0 CGADHM Cc1ccc(-c2ccc([O-])c(C(F)(F)F)c2)nc1N ZINC001242152938 822896598 /nfs/dbraw/zinc/89/65/98/822896598.db2.gz OJHLXBWBVNSCSO-UHFFFAOYSA-N -1 3 268.238 3.364 20 0 CGADHM COc1cc(-c2ccc([O-])c(C(F)(F)F)c2)c(OC)cn1 ZINC001242168416 822901037 /nfs/dbraw/zinc/90/10/37/822901037.db2.gz ODIBYCWDZVARIV-UHFFFAOYSA-N -1 3 299.248 3.490 20 0 CGADHM [O-]c1cc(F)ccc1-c1cc(F)cc(N2CCOCC2)c1 ZINC001242219404 822915735 /nfs/dbraw/zinc/91/57/35/822915735.db2.gz RTQGZEBUPOEEOS-UHFFFAOYSA-N -1 3 291.297 3.174 20 0 CGADHM COc1ccc(-c2ccc(F)cc2[O-])cc1NC(C)=O ZINC001242219110 822915852 /nfs/dbraw/zinc/91/58/52/822915852.db2.gz KFIXOAADZFPPTF-UHFFFAOYSA-N -1 3 275.279 3.165 20 0 CGADHM CCOC(=O)COc1ccc(-c2ccc(F)cc2[O-])cc1 ZINC001242220689 822916864 /nfs/dbraw/zinc/91/68/64/822916864.db2.gz LBAOQILZOVFYOH-UHFFFAOYSA-N -1 3 290.290 3.140 20 0 CGADHM CC(C)S(=O)(=O)c1cccc(-c2ccc(F)cc2[O-])c1 ZINC001242221676 822917485 /nfs/dbraw/zinc/91/74/85/822917485.db2.gz WIMYFNRPMUBRRN-UHFFFAOYSA-N -1 3 294.347 3.380 20 0 CGADHM Cc1c(F)cc(-c2cc(-c3nnn[n-]3)ccc2F)cc1F ZINC001242288699 822940082 /nfs/dbraw/zinc/94/00/82/822940082.db2.gz POHQPNKIMVZANH-UHFFFAOYSA-N -1 3 290.248 3.259 20 0 CGADHM Cc1c(F)cc(-c2cc(-c3nn[n-]n3)ccc2F)cc1F ZINC001242288699 822940084 /nfs/dbraw/zinc/94/00/84/822940084.db2.gz POHQPNKIMVZANH-UHFFFAOYSA-N -1 3 290.248 3.259 20 0 CGADHM CCOC(=O)COc1ccc(-c2cccc(F)c2[O-])cc1 ZINC001242350233 822960698 /nfs/dbraw/zinc/96/06/98/822960698.db2.gz DYGRFVAPOLRLKG-UHFFFAOYSA-N -1 3 290.290 3.140 20 0 CGADHM [O-]c1c(F)cccc1-c1ccc(N2CCOCC2)cc1F ZINC001242352085 822961708 /nfs/dbraw/zinc/96/17/08/822961708.db2.gz LKSPUMDCDUWSCJ-UHFFFAOYSA-N -1 3 291.297 3.174 20 0 CGADHM Fc1cccc(-c2ccccc2-c2nnn[n-]2)c1Cl ZINC001242574270 823039201 /nfs/dbraw/zinc/03/92/01/823039201.db2.gz SPFJUEYSTWCBGO-UHFFFAOYSA-N -1 3 274.686 3.326 20 0 CGADHM Fc1cccc(-c2ccccc2-c2nn[n-]n2)c1Cl ZINC001242574270 823039207 /nfs/dbraw/zinc/03/92/07/823039207.db2.gz SPFJUEYSTWCBGO-UHFFFAOYSA-N -1 3 274.686 3.326 20 0 CGADHM NC(=O)c1ccc(Nc2cc(Cl)c(F)cc2F)cc1[O-] ZINC001210114865 926707783 /nfs/dbraw/zinc/70/77/83/926707783.db2.gz NJWDJGLGWYLMNR-UHFFFAOYSA-N -1 3 298.676 3.166 20 0 CGADHM CCCCCSCc1cc(=O)[n-]c(C2CC2)n1 ZINC001473010990 937152922 /nfs/dbraw/zinc/15/29/22/937152922.db2.gz GDFBZUUKWJPCLB-UHFFFAOYSA-N -1 3 252.383 3.483 20 0 CGADHM CC(=O)c1cc(F)c([N-]C(=O)c2cocc2C)c(F)c1F ZINC001435595472 937263233 /nfs/dbraw/zinc/26/32/33/937263233.db2.gz JVUXLZZKRCOBOO-UHFFFAOYSA-N -1 3 297.232 3.460 20 0 CGADHM Cc1nc(Cl)sc1C(=O)[N-]c1ccnc(F)c1F ZINC001437854229 937298777 /nfs/dbraw/zinc/29/87/77/937298777.db2.gz QCQLAXSQXBTSML-UHFFFAOYSA-N -1 3 289.694 3.030 20 0 CGADHM CCCc1cc(C(=O)[N-]c2noc(C(C)(C)C)c2C)no1 ZINC001438603823 937306947 /nfs/dbraw/zinc/30/69/47/937306947.db2.gz BERMMVACMJQTKI-UHFFFAOYSA-N -1 3 291.351 3.473 20 0 CGADHM CCc1ccc(C(=O)NCCCc2ccccc2)c([O-])c1 ZINC001440468248 937330258 /nfs/dbraw/zinc/33/02/58/937330258.db2.gz DJQGCFUBBSEKAG-UHFFFAOYSA-N -1 3 283.371 3.317 20 0 CGADHM Cc1cccc([O-])c1C(=O)N[C@@H]1C[C@H]1C1CCCCC1 ZINC001448577140 937375760 /nfs/dbraw/zinc/37/57/60/937375760.db2.gz GPXIKHLDHYXIDE-UONOGXRCSA-N -1 3 273.376 3.399 20 0 CGADHM CC1(C)C2CCC1(C(=O)[N-]OCCC1CC1)CC2 ZINC001450207967 937384142 /nfs/dbraw/zinc/38/41/42/937384142.db2.gz DUTWOBRXLGJXIP-UHFFFAOYSA-N -1 3 251.370 3.051 20 0 CGADHM CSc1ccc([O-])c(C(=O)NCCCC2CC2)c1 ZINC001452515049 937395152 /nfs/dbraw/zinc/39/51/52/937395152.db2.gz PVAYJGWCBNYNAI-UHFFFAOYSA-N -1 3 265.378 3.034 20 0 CGADHM O=C(Nc1nc(C2CC2)c[nH]1)c1cc2sccc2c([O-])c1 ZINC001452558448 937395722 /nfs/dbraw/zinc/39/57/22/937395722.db2.gz ZHTKRIZIZHWVGT-UHFFFAOYSA-N -1 3 299.355 3.460 20 0 CGADHM CSc1cccnc1[N-]C(=O)c1cccc(Cl)n1 ZINC001452823153 937398492 /nfs/dbraw/zinc/39/84/92/937398492.db2.gz QQVGUMVJKFUKJH-UHFFFAOYSA-N -1 3 279.752 3.104 20 0 CGADHM O=C(CCCOc1ccc(Cl)cc1)[N-]OCC1CCC1 ZINC001453744024 937404567 /nfs/dbraw/zinc/40/45/67/937404567.db2.gz VTLLEEOGJLXFEK-UHFFFAOYSA-N -1 3 297.782 3.347 20 0 CGADHM COc1ccc(C(=O)NCC[C@H]2CCCC2(C)C)c([O-])c1 ZINC001453903699 937405383 /nfs/dbraw/zinc/40/53/83/937405383.db2.gz WBYWPVKAEZRNRM-GFCCVEGCSA-N -1 3 291.391 3.347 20 0 CGADHM O=C(c1ccccc1[O-])N1CC[C@@H]1c1ccc(F)cc1 ZINC001453023812 937399882 /nfs/dbraw/zinc/39/98/82/937399882.db2.gz CDCPJLXEXHLDOV-CQSZACIVSA-N -1 3 271.291 3.119 20 0 CGADHM O=C(c1ccccc1[O-])N1CC[C@H]1c1ccc(F)cc1 ZINC001453023808 937400118 /nfs/dbraw/zinc/40/01/18/937400118.db2.gz CDCPJLXEXHLDOV-AWEZNQCLSA-N -1 3 271.291 3.119 20 0 CGADHM CCCC(O)(CCC)CC(=O)[N-]OCCCC(F)(F)F ZINC001455084122 937414541 /nfs/dbraw/zinc/41/45/41/937414541.db2.gz FXMMRJZRDUSVGH-UHFFFAOYSA-N -1 3 299.333 3.098 20 0 CGADHM COC(=O)c1cc(C)cc(NC(=O)c2cccc(C)c2[O-])c1 ZINC001456530658 937432162 /nfs/dbraw/zinc/43/21/62/937432162.db2.gz PEIAXLABUNRDJV-UHFFFAOYSA-N -1 3 299.326 3.048 20 0 CGADHM CO[C@@H](C)CCOc1nc(=S)[n-]c2scc(C)c21 ZINC001229353963 932138156 /nfs/dbraw/zinc/13/81/56/932138156.db2.gz TXKZVZLVTAAJPN-QMMMGPOBSA-N -1 3 284.406 3.092 20 0 CGADHM CCOC[C@@H](C)Oc1nc(=S)[n-]c2scc(C)c21 ZINC001229352090 932139103 /nfs/dbraw/zinc/13/91/03/932139103.db2.gz GMYMVJKLDRDOGT-MRVPVSSYSA-N -1 3 284.406 3.092 20 0 CGADHM CCC(CC)[C@H](CC)Oc1ccccc1-c1nnn[n-]1 ZINC001229954772 932509746 /nfs/dbraw/zinc/50/97/46/932509746.db2.gz OZPQFLKUNGDDJW-ZDUSSCGKSA-N -1 3 274.368 3.460 20 0 CGADHM CCC(CC)[C@H](CC)Oc1ccccc1-c1nn[n-]n1 ZINC001229954772 932509750 /nfs/dbraw/zinc/50/97/50/932509750.db2.gz OZPQFLKUNGDDJW-ZDUSSCGKSA-N -1 3 274.368 3.460 20 0 CGADHM Cc1ccccc1[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001231072886 932671673 /nfs/dbraw/zinc/67/16/73/932671673.db2.gz HNONLWQPSAIJQJ-LBPRGKRZSA-N -1 3 280.331 3.315 20 0 CGADHM CCC[C@@H](C)[C@@H](CC)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001231076401 932672369 /nfs/dbraw/zinc/67/23/69/932672369.db2.gz KZTYMAVPNKBHQO-BXUZGUMPSA-N -1 3 274.368 3.460 20 0 CGADHM CC(C)C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC001231074264 932672820 /nfs/dbraw/zinc/67/28/20/932672820.db2.gz SMGWIHVHENPHKB-CQSZACIVSA-N -1 3 274.368 3.316 20 0 CGADHM CCC[C@@H](C)Oc1cc(=O)[n-]c(Cl)c1C(=O)OCC ZINC001231090016 932676807 /nfs/dbraw/zinc/67/68/07/932676807.db2.gz CAWOTZIKEWWKPI-MRVPVSSYSA-N -1 3 287.743 3.185 20 0 CGADHM Cc1ccc(-c2nnc(-c3c(C)cc(O)cc3[O-])o2)cc1 ZINC001252697634 932721848 /nfs/dbraw/zinc/72/18/48/932721848.db2.gz YQUYUJTZXWVGAE-UHFFFAOYSA-N -1 3 282.299 3.432 20 0 CGADHM [O-]c1ccc(F)c(CNCc2cccc(F)c2F)c1F ZINC001308885850 933196993 /nfs/dbraw/zinc/19/69/93/933196993.db2.gz KHIFMRHSSZDLSX-UHFFFAOYSA-N -1 3 285.240 3.238 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-]C[C@]2(C)CC[C@H](C)C2(C)C)o1 ZINC001309663270 933240541 /nfs/dbraw/zinc/24/05/41/933240541.db2.gz QXFKETMZBCYCQW-NHYWBVRUSA-N -1 3 299.436 3.329 20 0 CGADHM Cc1cccc(CNC(=O)c2cc3sccc3c([O-])c2)n1 ZINC001464312762 937689043 /nfs/dbraw/zinc/68/90/43/937689043.db2.gz NMPAUZXCJMEKRA-UHFFFAOYSA-N -1 3 298.367 3.240 20 0 CGADHM O=C(C[C@@H]1C[C@H]1Cc1ccccc1)[N-]OC1CCCC1 ZINC001466411649 937708814 /nfs/dbraw/zinc/70/88/14/937708814.db2.gz LGKWELSZFKXKFF-CABCVRRESA-N -1 3 273.376 3.246 20 0 CGADHM Cc1ccc(C(=O)NC[C@@H]2CCC[C@H]2C2CC2)c([O-])c1 ZINC001469008111 937734199 /nfs/dbraw/zinc/73/41/99/937734199.db2.gz MFWONKHVLAJSLF-KBPBESRZSA-N -1 3 273.376 3.257 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(C)C)ns2)c1 ZINC001469887951 937745286 /nfs/dbraw/zinc/74/52/86/937745286.db2.gz LYANNULPSCJKEK-UHFFFAOYSA-N -1 3 291.376 3.003 20 0 CGADHM C[C@@H](CC(=O)[N-]Oc1ccc(F)cc1)c1ccco1 ZINC001469936397 937745919 /nfs/dbraw/zinc/74/59/19/937745919.db2.gz AZNSZYWHJAVTKK-JTQLQIEISA-N -1 3 263.268 3.023 20 0 CGADHM CCc1ccc(C(=O)N[C@H]2CCCC23CC3)c([O-])c1 ZINC001470950894 937759716 /nfs/dbraw/zinc/75/97/16/937759716.db2.gz SCIFAMONGCMMOV-AWEZNQCLSA-N -1 3 259.349 3.017 20 0 CGADHM Cc1sccc1NC(=O)c1[n-]cnc1C(F)(F)F ZINC001471086171 937761498 /nfs/dbraw/zinc/76/14/98/937761498.db2.gz PNMFCASFGAIYFQ-UHFFFAOYSA-N -1 3 275.255 3.051 20 0 CGADHM Cc1sccc1NC(=O)c1nc[n-]c1C(F)(F)F ZINC001471086171 937761499 /nfs/dbraw/zinc/76/14/99/937761499.db2.gz PNMFCASFGAIYFQ-UHFFFAOYSA-N -1 3 275.255 3.051 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2cccc3nccnc32)c1 ZINC001471304239 937764204 /nfs/dbraw/zinc/76/42/04/937764204.db2.gz WXMDLQGEQSNAKX-UHFFFAOYSA-N -1 3 293.326 3.150 20 0 CGADHM CCc1cc(=O)[n-]c(CN[C@@H](CC)c2ccc(F)cc2)n1 ZINC001323731492 934422685 /nfs/dbraw/zinc/42/26/85/934422685.db2.gz WRUYWBJWDOXCMQ-AWEZNQCLSA-N -1 3 289.354 3.125 20 0 CGADHM Cc1cccc2c1CCCN2Cc1cc(=O)[n-]c(C2CC2)n1 ZINC001473161323 937795026 /nfs/dbraw/zinc/79/50/26/937795026.db2.gz PXVXNXFAVFNNEI-UHFFFAOYSA-N -1 3 295.386 3.321 20 0 CGADHM COC(=O)c1cnc(SCc2ccccc2C2CC2)[n-]1 ZINC001329100176 935185890 /nfs/dbraw/zinc/18/58/90/935185890.db2.gz PUCONBVJEVNPGX-UHFFFAOYSA-N -1 3 288.372 3.366 20 0 CGADHM CC(C)OC(=O)[C@@H](N[C@H](C)c1cccc([O-])c1F)C(C)C ZINC001329642276 935237185 /nfs/dbraw/zinc/23/71/85/935237185.db2.gz HHWCADXIGOSNFX-ABAIWWIYSA-N -1 3 297.370 3.158 20 0 CGADHM CC(C)OC(=O)[C@@H](N[C@@H](C)c1cccc([O-])c1F)C(C)C ZINC001329642277 935237490 /nfs/dbraw/zinc/23/74/90/935237490.db2.gz HHWCADXIGOSNFX-NHYWBVRUSA-N -1 3 297.370 3.158 20 0 CGADHM CN(Cc1ccc([O-])c(F)c1F)CC1(O)CCCCCC1 ZINC001474460789 937860886 /nfs/dbraw/zinc/86/08/86/937860886.db2.gz GWIGNZSLNOWDBB-UHFFFAOYSA-N -1 3 299.361 3.188 20 0 CGADHM COc1cc(F)c(C(=O)[N-]c2c(C)noc2C)c(Cl)c1 ZINC001518934286 938017319 /nfs/dbraw/zinc/01/73/19/938017319.db2.gz OXWAPHZTLVOUQS-UHFFFAOYSA-N -1 3 298.701 3.345 20 0 CGADHM CSc1c(F)cccc1[N-]C(=O)c1oc(C)nc1C ZINC001528394577 938067286 /nfs/dbraw/zinc/06/72/86/938067286.db2.gz CJOOUHBNJBRDOT-UHFFFAOYSA-N -1 3 280.324 3.405 20 0 CGADHM CCc1coc([N-]C(=O)c2c(F)c(F)cc(F)c2F)n1 ZINC001532234556 938085540 /nfs/dbraw/zinc/08/55/40/938085540.db2.gz ZSGSFCHRJQVKOW-UHFFFAOYSA-N -1 3 288.200 3.046 20 0 CGADHM Cc1ccccc1C1(CNC(=O)c2c(C)cccc2[O-])CC1 ZINC001542705699 938136857 /nfs/dbraw/zinc/13/68/57/938136857.db2.gz UZZQRWFNKLDADK-UHFFFAOYSA-N -1 3 295.382 3.471 20 0 CGADHM CCc1ccc(C(=O)N[C@H]2C[C@]2(C)c2ccccc2)c([O-])c1 ZINC001544978286 938148090 /nfs/dbraw/zinc/14/80/90/938148090.db2.gz BNAHBZDWJDTUGN-PKOBYXMFSA-N -1 3 295.382 3.415 20 0 CGADHM CC(C)c1ccc(C(=O)Nc2ccnc(N(C)C)c2)c([O-])c1 ZINC001545207688 938149051 /nfs/dbraw/zinc/14/90/51/938149051.db2.gz JRFMJNYFUNCQQW-UHFFFAOYSA-N -1 3 299.374 3.229 20 0 CGADHM O=C(N[C@@H]1C=CCCC1)c1cc2sccc2c([O-])c1 ZINC001545539172 938149835 /nfs/dbraw/zinc/14/98/35/938149835.db2.gz UMPQVACKXODKJQ-LLVKDONJSA-N -1 3 273.357 3.445 20 0 CGADHM CC1(C)[C@H](NCc2ccc(C(=O)[O-])cn2)[C@H]1c1ccccc1 ZINC001550707440 938170325 /nfs/dbraw/zinc/17/03/25/938170325.db2.gz HFMAZVFFTIIYGV-HZPDHXFCSA-N -1 3 296.370 3.062 20 0 CGADHM O=C(c1ccccc1[O-])N1C[C@@H](C2CC2)C[C@@H]1C1CC1 ZINC001551059868 938175536 /nfs/dbraw/zinc/17/55/36/938175536.db2.gz RYYDPZBJXNVVEV-DZGCQCFKSA-N -1 3 271.360 3.043 20 0 CGADHM O=C(Nc1cccc([O-])c1F)[C@H]1CCCC12CCOCC2 ZINC001553592815 938199811 /nfs/dbraw/zinc/19/98/11/938199811.db2.gz IEXPRKMLVMNNLY-LLVKDONJSA-N -1 3 293.338 3.067 20 0 CGADHM O=C(CCCc1c(F)cccc1F)Nc1ncccc1[O-] ZINC001556164858 938202228 /nfs/dbraw/zinc/20/22/28/938202228.db2.gz RWXUBVQDTQDBRN-UHFFFAOYSA-N -1 3 292.285 3.027 20 0 CGADHM CCc1ccc(C(=O)N[C@H](C)CCC2CC2)c([O-])c1 ZINC001556311692 938203025 /nfs/dbraw/zinc/20/30/25/938203025.db2.gz NTXSOGOEEHKWSQ-LLVKDONJSA-N -1 3 261.365 3.263 20 0 CGADHM O=C(C[C@@H]1CCc2ccccc21)[N-]Oc1ccccc1F ZINC001558225395 938214230 /nfs/dbraw/zinc/21/42/30/938214230.db2.gz GQASPOPUAVEHDO-ZDUSSCGKSA-N -1 3 285.318 3.356 20 0 CGADHM O=C(CC1CCCCC1)[N-]Oc1ccccc1F ZINC001558227222 938214346 /nfs/dbraw/zinc/21/43/46/938214346.db2.gz UBEOSYCEGCUOFP-UHFFFAOYSA-N -1 3 251.301 3.206 20 0 CGADHM CCCCCCC(=O)[N-]OCCOc1ccccc1 ZINC001558778268 938217817 /nfs/dbraw/zinc/21/78/17/938217817.db2.gz TUSVIVHGGQMIMH-UHFFFAOYSA-N -1 3 265.353 3.084 20 0 CGADHM CCCCOc1ccc(C(=O)NC2CC(C)(C)C2)c([O-])c1 ZINC001559018722 938219121 /nfs/dbraw/zinc/21/91/21/938219121.db2.gz ONCQRGROHGSWRF-UHFFFAOYSA-N -1 3 291.391 3.490 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)Sc2ccc3n[nH]cc3c2)n1 ZINC001559424303 938226502 /nfs/dbraw/zinc/22/65/02/938226502.db2.gz DNRBKANIXIPSOA-SECBINFHSA-N -1 3 286.360 3.220 20 0 CGADHM O=C([O-])[C@@H](NCc1cc(Cl)cs1)c1ccc(F)cc1 ZINC001594841829 954085577 /nfs/dbraw/zinc/08/55/77/954085577.db2.gz CTLBQHBBBIOADV-LBPRGKRZSA-N -1 3 299.754 3.456 20 0 CGADHM C[C@@](NCc1ccc(F)c(F)c1)(C(=O)[O-])c1ccccc1 ZINC000049576846 957480235 /nfs/dbraw/zinc/48/02/35/957480235.db2.gz ZSODZZTYUAENED-INIZCTEOSA-N -1 3 291.297 3.054 20 0 CGADHM CCC(CC)(NCc1cc(-c2cccs2)on1)C(=O)[O-] ZINC000094242651 958280153 /nfs/dbraw/zinc/28/01/53/958280153.db2.gz OMOVGPHNTAKOFF-UHFFFAOYSA-N -1 3 294.376 3.136 20 0 CGADHM Cc1cccc(CN2CCc3ccc(C(=O)[O-])cc3C2)c1 ZINC000212046042 959707382 /nfs/dbraw/zinc/70/73/82/959707382.db2.gz JEZJHYBBIBBVQG-UHFFFAOYSA-N -1 3 281.355 3.252 20 0 CGADHM Cc1ccc(C(=O)Nc2n[nH]c3ccc(F)cc32)c([O-])c1C ZINC001565578390 960790779 /nfs/dbraw/zinc/79/07/79/960790779.db2.gz DNYFQBLLWJTXHQ-UHFFFAOYSA-N -1 3 299.305 3.277 20 0 CGADHM O=C(Nc1cccc([O-])c1F)c1ccc(C(F)F)nc1 ZINC001566435476 960931530 /nfs/dbraw/zinc/93/15/30/960931530.db2.gz JTIZGNLEOMBMHZ-UHFFFAOYSA-N -1 3 282.221 3.116 20 0 CGADHM C=C/C=C/CCSc1ccc(-c2nnn[n-]2)cc1F ZINC001573316813 962235115 /nfs/dbraw/zinc/23/51/15/962235115.db2.gz ZTENZUYYHYHBKG-ONEGZZNKSA-N -1 3 276.340 3.230 20 0 CGADHM C=C/C=C/CCSc1ccc(-c2nn[n-]n2)cc1F ZINC001573316813 962235134 /nfs/dbraw/zinc/23/51/34/962235134.db2.gz ZTENZUYYHYHBKG-ONEGZZNKSA-N -1 3 276.340 3.230 20 0 CGADHM c1ccc(-c2nnn[n-]2)c(OCCC2=CCCCC2)c1 ZINC001573292187 962236444 /nfs/dbraw/zinc/23/64/44/962236444.db2.gz PKRSAFPDKBTTLJ-UHFFFAOYSA-N -1 3 270.336 3.136 20 0 CGADHM c1ccc(-c2nn[n-]n2)c(OCCC2=CCCCC2)c1 ZINC001573292187 962236460 /nfs/dbraw/zinc/23/64/60/962236460.db2.gz PKRSAFPDKBTTLJ-UHFFFAOYSA-N -1 3 270.336 3.136 20 0 CGADHM CCCc1ccc(CN2[C@H](C)CC[C@@H]2C(=O)[O-])s1 ZINC001573864327 962287853 /nfs/dbraw/zinc/28/78/53/962287853.db2.gz DMAOYTPUBSXTIF-ZWNOBZJWSA-N -1 3 267.394 3.138 20 0 CGADHM O=C([O-])c1ccc(CN2CCC=C(c3ccccn3)C2)cc1 ZINC001574800415 962320597 /nfs/dbraw/zinc/32/05/97/962320597.db2.gz NIFUSIUTRSHFOH-UHFFFAOYSA-N -1 3 294.354 3.069 20 0 CGADHM CCCCC[C@H](C)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC001577503200 962552136 /nfs/dbraw/zinc/55/21/36/962552136.db2.gz WNRSYQPKMFTNLS-NSHDSACASA-N -1 3 289.383 3.256 20 0 CGADHM CCCCC[C@H](C)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC001577503200 962552144 /nfs/dbraw/zinc/55/21/44/962552144.db2.gz WNRSYQPKMFTNLS-NSHDSACASA-N -1 3 289.383 3.256 20 0 CGADHM CCSCCSc1cc(C)cc(F)c1-c1nnn[n-]1 ZINC001578417526 962585901 /nfs/dbraw/zinc/58/59/01/962585901.db2.gz OFYZKEBXZHMFJT-UHFFFAOYSA-N -1 3 298.412 3.159 20 0 CGADHM CC(C)c1ccc(C(=O)N2CCC=C(Cl)C2)c([O-])c1 ZINC001583336646 962793670 /nfs/dbraw/zinc/79/36/70/962793670.db2.gz QCIVFHNHHAENBZ-UHFFFAOYSA-N -1 3 279.767 3.484 20 0 CGADHM COc1cccc(SC)c1[N-]C(=O)c1cncs1 ZINC001584111043 962893977 /nfs/dbraw/zinc/89/39/77/962893977.db2.gz AUGYGZGHFGIHQI-UHFFFAOYSA-N -1 3 280.374 3.126 20 0 CGADHM COc1ccc(C(=O)N[C@@H]2CCC[C@H](C(C)C)C2)c([O-])c1 ZINC001585519784 963022710 /nfs/dbraw/zinc/02/27/10/963022710.db2.gz VVQJKPABWVXDTA-QWHCGFSZSA-N -1 3 291.391 3.345 20 0 CGADHM Cc1cccc([O-])c1C(=O)N[C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC001586082025 963071525 /nfs/dbraw/zinc/07/15/25/963071525.db2.gz SVKFUORCYWVUBI-MGPQQGTHSA-N -1 3 273.376 3.399 20 0 CGADHM O=C(OCc1cnc(C2CC2)o1)c1cccc(Cl)c1[O-] ZINC001588100896 963244697 /nfs/dbraw/zinc/24/46/97/963244697.db2.gz LLKHNLVTPIOLGM-UHFFFAOYSA-N -1 3 293.706 3.268 20 0 CGADHM C(=C\c1ccccc1)\CCOc1ccc(-c2nn[n-]n2)cc1 ZINC001588380208 963269478 /nfs/dbraw/zinc/26/94/78/963269478.db2.gz XNIGMVKOLVXPGX-YWEYNIOJSA-N -1 3 292.342 3.349 20 0 CGADHM C/C(=C/Cl)CSCc1cccc(-c2nnn[n-]2)c1 ZINC001588767599 963315783 /nfs/dbraw/zinc/31/57/83/963315783.db2.gz CQCHRCMACPHYGL-TWGQIWQCSA-N -1 3 280.784 3.243 20 0 CGADHM C/C(=C/Cl)CSCc1cccc(-c2nn[n-]n2)c1 ZINC001588767599 963315793 /nfs/dbraw/zinc/31/57/93/963315793.db2.gz CQCHRCMACPHYGL-TWGQIWQCSA-N -1 3 280.784 3.243 20 0 CGADHM CC(C)(C)C[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC001589118943 963342434 /nfs/dbraw/zinc/34/24/34/963342434.db2.gz JWQNZCUCHPRCBL-CQSZACIVSA-N -1 3 285.395 3.272 20 0 CGADHM C[C@@H](NCCCCC(=O)[O-])c1nc(C(F)(F)F)cs1 ZINC001589128333 963351530 /nfs/dbraw/zinc/35/15/30/963351530.db2.gz QGLREAFDXLTVOV-SSDOTTSWSA-N -1 3 296.314 3.067 20 0 CGADHM CC(C)(C)SCSc1ccc(-c2nnn[n-]2)cc1 ZINC001589209017 963352757 /nfs/dbraw/zinc/35/27/57/963352757.db2.gz NIBQMBWTYSFEPC-UHFFFAOYSA-N -1 3 280.422 3.448 20 0 CGADHM CC(C)(C)SCSc1ccc(-c2nn[n-]n2)cc1 ZINC001589209017 963352768 /nfs/dbraw/zinc/35/27/68/963352768.db2.gz NIBQMBWTYSFEPC-UHFFFAOYSA-N -1 3 280.422 3.448 20 0 CGADHM CC(C)(C)C(C)(C)CNCc1ncc(C(=O)[O-])s1 ZINC000310844091 963438643 /nfs/dbraw/zinc/43/86/43/963438643.db2.gz LDJVGKJEHIUDMJ-UHFFFAOYSA-N -1 3 270.398 3.003 20 0 CGADHM O=C([O-])c1ccc(CN[C@H](c2cccnc2)C2CCC2)cc1 ZINC001606491228 973975433 /nfs/dbraw/zinc/97/54/33/973975433.db2.gz VOGLCOCOYIGRCJ-KRWDZBQOSA-N -1 3 296.370 3.411 20 0 CGADHM CC(C)c1nc([C@@H](C)N[C@H]2CC[C@@H](C(=O)[O-])C2)cs1 ZINC001592015860 976700638 /nfs/dbraw/zinc/70/06/38/976700638.db2.gz RPWFTVPFHMMYTI-MXWKQRLJSA-N -1 3 282.409 3.170 20 0 CGADHM CC[C@@H](NCc1cccnc1)c1ccc(C(=O)[O-])cc1 ZINC001595304170 980437592 /nfs/dbraw/zinc/43/75/92/980437592.db2.gz ADOLTVUVVCONTA-OAHLLOKOSA-N -1 3 270.332 3.021 20 0 CGADHM CCC[C@H]1[C@H](C)CCCN1Cc1ncc(C(=O)[O-])s1 ZINC001595619686 981680774 /nfs/dbraw/zinc/68/07/74/981680774.db2.gz LURYWLTUZGJBFZ-MNOVXSKESA-N -1 3 282.409 3.242 20 0 CGADHM CC[C@H](C)[C@@H](N[C@@H](C(F)F)C1CCCCC1)C(=O)[O-] ZINC001594911892 982419178 /nfs/dbraw/zinc/41/91/78/982419178.db2.gz DVNZHSSLYBKJJM-MVWJERBFSA-N -1 3 277.355 3.289 20 0 CGADHM CCN(CC1CCC1)[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001596294355 983715746 /nfs/dbraw/zinc/71/57/46/983715746.db2.gz UORUWQAQMOTADA-SECBINFHSA-N -1 3 268.382 3.024 20 0 CGADHM CCOc1ccc(Cl)cc1CN1CC[C@@H](C(=O)[O-])[C@@H]1C ZINC001597106311 986747795 /nfs/dbraw/zinc/74/77/95/986747795.db2.gz NNMTYIOVBAUXQG-GXFFZTMASA-N -1 3 297.782 3.034 20 0 CGADHM CCc1nc(CN[C@@H]2CCC[C@H](CCCC(=O)[O-])C2)co1 ZINC001597670247 988765532 /nfs/dbraw/zinc/76/55/32/988765532.db2.gz UXMZONJNJNCZMY-CHWSQXEVSA-N -1 3 294.395 3.140 20 0 CGADHM CN(C)Cc1ccc(-c2ccc(/C=C\C(=O)[O-])o2)s1 ZINC001598248906 991026582 /nfs/dbraw/zinc/02/65/82/991026582.db2.gz PAIGOSIYRMQQON-YWEYNIOJSA-N -1 3 277.345 3.168 20 0 CGADHM CC(C)[C@H]1N(Cc2ccc(C(=O)[O-])c(F)c2)CC1(C)C ZINC001591099818 991715247 /nfs/dbraw/zinc/71/52/47/991715247.db2.gz OOPQRBUNHXULAL-CQSZACIVSA-N -1 3 279.355 3.390 20 0 CGADHM CN(Cc1ccc(C(=O)[O-])[nH]1)C(C)(C)c1ccccc1 ZINC001598509397 992550677 /nfs/dbraw/zinc/55/06/77/992550677.db2.gz WINDNCHGCFHELB-UHFFFAOYSA-N -1 3 272.348 3.080 20 0 CGADHM C[C@@H](N[C@@H](C(=O)[O-])c1c(F)cccc1Cl)C1(C)CC1 ZINC001593189218 994110894 /nfs/dbraw/zinc/11/08/94/994110894.db2.gz FHLKPZAGOHHPAA-PRHODGIISA-N -1 3 285.746 3.383 20 0 CGADHM C[C@@H](NC1([C@@H]2CCCCO2)CCC1)c1cc(C(=O)[O-])co1 ZINC001593210540 994250455 /nfs/dbraw/zinc/25/04/55/994250455.db2.gz QFVNLMXQSHGEFQ-RISCZKNCSA-N -1 3 293.363 3.120 20 0 CGADHM C[C@@H](c1ccc(C(=O)[O-])o1)N1CC[C@H](CC(F)(F)F)C1 ZINC001593686384 996122676 /nfs/dbraw/zinc/12/26/76/996122676.db2.gz ODRQFIOVFDCWLY-DTWKUNHWSA-N -1 3 291.269 3.313 20 0 CGADHM CO[C@@H]1CCCN(Cc2cc(C(=O)[O-])ccc2Cl)CC1 ZINC001599116718 997666050 /nfs/dbraw/zinc/66/60/50/997666050.db2.gz LQQYBTBAPXLGKP-CYBMUJFWSA-N -1 3 297.782 3.039 20 0 CGADHM CO[C@@H](CN[C@@H](C)c1cc(C(=O)[O-])co1)c1ccccc1 ZINC001599053367 999204195 /nfs/dbraw/zinc/20/41/95/999204195.db2.gz DPPTYDQQXPWCDT-NHYWBVRUSA-N -1 3 289.331 3.016 20 0 CGADHM CN(C[C@H]1CC1(C)C)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000621043661 349448738 /nfs/dbraw/zinc/44/87/38/349448738.db2.gz LETPJLQNGMMWCM-CYBMUJFWSA-N -1 3 293.382 3.359 20 0 CGADHM Cc1ccc(C(=O)NCC(C)(C)CC(F)(F)F)c([O-])c1 ZINC000621227116 349477362 /nfs/dbraw/zinc/47/73/62/349477362.db2.gz WFHDQKYVZWCTLE-UHFFFAOYSA-N -1 3 289.297 3.409 20 0 CGADHM Cc1cc(C(=O)NCC(C)(C)CC(F)(F)F)ccc1[O-] ZINC000621227049 349477473 /nfs/dbraw/zinc/47/74/73/349477473.db2.gz SNKDBFBFILVKSH-UHFFFAOYSA-N -1 3 289.297 3.409 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)[C@@H]2O[C@H](C)C[C@H]2C)c1[O-] ZINC000337481761 214111839 /nfs/dbraw/zinc/11/18/39/214111839.db2.gz XEYWFIGONBAHBW-JRKPZEMJSA-N -1 3 283.755 3.106 20 0 CGADHM CCCC[C@@H](C)C(=O)Nc1nnc(-c2ccc(C)o2)[n-]1 ZINC000337648590 214195831 /nfs/dbraw/zinc/19/58/31/214195831.db2.gz JMYQYIXLZGZYTC-SECBINFHSA-N -1 3 276.340 3.138 20 0 CGADHM CCCC[C@@H](C)C(=O)Nc1nc(-c2ccc(C)o2)n[n-]1 ZINC000337648590 214195834 /nfs/dbraw/zinc/19/58/34/214195834.db2.gz JMYQYIXLZGZYTC-SECBINFHSA-N -1 3 276.340 3.138 20 0 CGADHM CCCC[C@@H](C)C(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC000337648590 214195837 /nfs/dbraw/zinc/19/58/37/214195837.db2.gz JMYQYIXLZGZYTC-SECBINFHSA-N -1 3 276.340 3.138 20 0 CGADHM Cc1ncncc1C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000337654327 214200465 /nfs/dbraw/zinc/20/04/65/214200465.db2.gz MJNTZJYHGIDBPJ-UHFFFAOYSA-N -1 3 285.347 3.040 20 0 CGADHM CC(C)(C)c1ccc(NC(=O)[C@@]2(C)CCCO2)c([O-])c1 ZINC000337663069 214202968 /nfs/dbraw/zinc/20/29/68/214202968.db2.gz RRGWRMGQMMNGDX-MRXNPFEDSA-N -1 3 277.364 3.197 20 0 CGADHM CC[C@H]1CCCN1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000590062024 346824153 /nfs/dbraw/zinc/82/41/53/346824153.db2.gz OIRZOUXURKVTCU-NSHDSACASA-N -1 3 297.358 3.456 20 0 CGADHM CC(=O)[C@@H](C)SCc1ccc([O-])c2nc(C)ccc12 ZINC000337739925 214240698 /nfs/dbraw/zinc/24/06/98/214240698.db2.gz CJYIDYXMAFKTOL-LLVKDONJSA-N -1 3 275.373 3.460 20 0 CGADHM CC(C)C[C@@H]1CCCCCN1C(=O)c1cc(F)c[n-]c1=O ZINC000621893677 349603706 /nfs/dbraw/zinc/60/37/06/349603706.db2.gz RCOPXORDSYGCKE-ZDUSSCGKSA-N -1 3 294.370 3.357 20 0 CGADHM CC[C@H](CO)NC(=O)c1cc(C(C)C)cc(C(C)C)c1[O-] ZINC000436683114 529391986 /nfs/dbraw/zinc/39/19/86/529391986.db2.gz SOTZJBLEALNRMU-CYBMUJFWSA-N -1 3 293.407 3.140 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@H]1CCCC2(CC2)C1 ZINC000622122415 349632323 /nfs/dbraw/zinc/63/23/23/349632323.db2.gz JQSBULADESRFCD-LBPRGKRZSA-N -1 3 275.396 3.172 20 0 CGADHM C[C@H](CC(=O)Nc1ncccc1[O-])C1CCCCC1 ZINC000338021682 214366745 /nfs/dbraw/zinc/36/67/45/214366745.db2.gz SKQFDZSWZKVOOI-LLVKDONJSA-N -1 3 262.353 3.332 20 0 CGADHM CC(=O)c1cccc(NC(=O)[C@H]2C[C@H]2C2CCCC2)c1[O-] ZINC000652166766 398326171 /nfs/dbraw/zinc/32/61/71/398326171.db2.gz BMIPKVSLCYSXNL-KBPBESRZSA-N -1 3 287.359 3.360 20 0 CGADHM CCCN(Cc1nc2c3ccccc3oc2c(=O)[n-]1)C1CC1 ZINC000350800731 219062662 /nfs/dbraw/zinc/06/26/62/219062662.db2.gz GHRGETXETBTBFJ-UHFFFAOYSA-N -1 3 297.358 3.456 20 0 CGADHM COc1ccc(C)cc1NC(=O)Cc1ccc([O-])c(F)c1 ZINC000622275498 349667115 /nfs/dbraw/zinc/66/71/15/349667115.db2.gz GTSOWQBDTSOVAT-UHFFFAOYSA-N -1 3 289.306 3.030 20 0 CGADHM Cc1ccc([O-])c(C(=O)NCC2(C)Cc3ccccc3C2)c1 ZINC000622478721 349682279 /nfs/dbraw/zinc/68/22/79/349682279.db2.gz QJQOSMKVQTVIEN-UHFFFAOYSA-N -1 3 295.382 3.236 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2ccccc2OCCF)c1 ZINC000622629301 349691376 /nfs/dbraw/zinc/69/13/76/349691376.db2.gz ISZLUNLVXNDOFN-UHFFFAOYSA-N -1 3 289.306 3.301 20 0 CGADHM CN1CCC[C@@H](NC(=O)c2ccccc2[O-])c2ccccc21 ZINC000622660147 349693306 /nfs/dbraw/zinc/69/33/06/349693306.db2.gz ZJASZWNMYUABHF-OAHLLOKOSA-N -1 3 296.370 3.093 20 0 CGADHM Cc1ccc(C(=O)N[C@H](C)C2CCC(F)CC2)c([O-])c1 ZINC000622752919 349700214 /nfs/dbraw/zinc/70/02/14/349700214.db2.gz NOXGTRQJLNXCTQ-PNESKVBLSA-N -1 3 279.355 3.347 20 0 CGADHM CCc1ccc(C(=O)N(C)Cc2cccc(F)c2)c([O-])c1 ZINC000188537183 529592787 /nfs/dbraw/zinc/59/27/87/529592787.db2.gz XVRPNSFRKSWATL-UHFFFAOYSA-N -1 3 287.334 3.366 20 0 CGADHM CCc1ccc(C(=O)N(CC2CC2)CC2CC2)c([O-])c1 ZINC000436831058 529594427 /nfs/dbraw/zinc/59/44/27/529594427.db2.gz FOKXUSNEJYOHQX-UHFFFAOYSA-N -1 3 273.376 3.217 20 0 CGADHM CCc1ccc(C(=O)N[C@H](C)Cc2cccc(O)c2)c([O-])c1 ZINC000436837525 529608129 /nfs/dbraw/zinc/60/81/29/529608129.db2.gz PEMRDCPXMSSWLO-GFCCVEGCSA-N -1 3 299.370 3.021 20 0 CGADHM CCc1ccc(C(=O)N2CC[C@@H](C)C(F)(F)C2)c([O-])c1 ZINC000436816160 529599904 /nfs/dbraw/zinc/59/99/04/529599904.db2.gz CLOFSAMVLDNPNO-SNVBAGLBSA-N -1 3 283.318 3.072 20 0 CGADHM CC[C@@H](NC(=O)Cc1ccc([O-])c(F)c1)C(C)(C)C ZINC000448918295 529601772 /nfs/dbraw/zinc/60/17/72/529601772.db2.gz QUMBVXQWWDFNPO-CYBMUJFWSA-N -1 3 267.344 3.015 20 0 CGADHM CCN(CCC(F)(F)F)C(=O)c1cccc(C)c1[O-] ZINC000623059715 349756926 /nfs/dbraw/zinc/75/69/26/349756926.db2.gz KZADMMILUJFZAA-UHFFFAOYSA-N -1 3 275.270 3.115 20 0 CGADHM CCC[C@@H](NC(=O)c1cccc(C)c1[O-])c1ccccn1 ZINC000591459880 346924435 /nfs/dbraw/zinc/92/44/35/346924435.db2.gz CHEVZNPDCQPYQM-OAHLLOKOSA-N -1 3 284.359 3.367 20 0 CGADHM CC(=O)[C@@H]1C[C@H](CC(=O)Nc2cc(F)ccc2[O-])C1(C)C ZINC000273900643 192355741 /nfs/dbraw/zinc/35/57/41/192355741.db2.gz SHUVEGCEYWEBQA-PWSUYJOCSA-N -1 3 293.338 3.111 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2cnn([C@@H](C)C3CC3)c2)c1 ZINC000428191722 529691754 /nfs/dbraw/zinc/69/17/54/529691754.db2.gz KVEVMUIZNQNYKV-NSHDSACASA-N -1 3 299.374 3.374 20 0 CGADHM CCC[C@H](NC(=O)c1ccccc1[O-])c1ccccn1 ZINC000591671977 346933079 /nfs/dbraw/zinc/93/30/79/346933079.db2.gz COJSTBYUPQZQJO-AWEZNQCLSA-N -1 3 270.332 3.058 20 0 CGADHM CCOc1ccc(CN(C)C(=O)c2c(C)cccc2[O-])cc1 ZINC000623431737 349808156 /nfs/dbraw/zinc/80/81/56/349808156.db2.gz OSCJEWWNBKVERJ-UHFFFAOYSA-N -1 3 299.370 3.372 20 0 CGADHM CS[C@@H](C)CCC(=O)N1CCCc2cccc([O-])c21 ZINC000352665000 136419920 /nfs/dbraw/zinc/41/99/20/136419920.db2.gz POLXEGDUCPIIDI-NSHDSACASA-N -1 3 279.405 3.203 20 0 CGADHM CC[C@@H](CNC(=O)c1ccccc1[O-])c1ccccc1 ZINC000023747888 344898515 /nfs/dbraw/zinc/89/85/15/344898515.db2.gz GFXGVXGRFPROPX-ZDUSSCGKSA-N -1 3 269.344 3.316 20 0 CGADHM Cc1ccc(OCCN(C)C(=O)c2cc(C)ccc2[O-])cc1 ZINC000024184681 344899564 /nfs/dbraw/zinc/89/95/64/344899564.db2.gz RMEFXQJKKYZJJG-UHFFFAOYSA-N -1 3 299.370 3.160 20 0 CGADHM O=C(CCc1ccc(Cl)cc1)Nc1ncccc1[O-] ZINC000024617199 344900128 /nfs/dbraw/zinc/90/01/28/344900128.db2.gz WUSWJNUBBMNQPG-UHFFFAOYSA-N -1 3 276.723 3.012 20 0 CGADHM CC(C)CCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000028055763 344912451 /nfs/dbraw/zinc/91/24/51/344912451.db2.gz LMRBYCDZQMOGBH-UHFFFAOYSA-N -1 3 281.830 3.116 20 0 CGADHM CCN(C(=O)c1cc(-c2ccco2)[n-]n1)c1ccccc1 ZINC000032369640 344931248 /nfs/dbraw/zinc/93/12/48/344931248.db2.gz LQBOEHIZXKOIFH-UHFFFAOYSA-N -1 3 281.315 3.336 20 0 CGADHM CCN(C(=O)c1cc(-c2ccco2)n[n-]1)c1ccccc1 ZINC000032369640 344931250 /nfs/dbraw/zinc/93/12/50/344931250.db2.gz LQBOEHIZXKOIFH-UHFFFAOYSA-N -1 3 281.315 3.336 20 0 CGADHM Cc1cc2[nH]c(C(=O)Nc3ncccc3[O-])cc2c(C)c1 ZINC000028623543 344914485 /nfs/dbraw/zinc/91/44/85/344914485.db2.gz GHVLIQPFSSQKFB-UHFFFAOYSA-N -1 3 281.315 3.138 20 0 CGADHM CC(C)Oc1ccc(CN2CC[C@H](C(=O)[O-])C2)cc1Cl ZINC000263564065 534985280 /nfs/dbraw/zinc/98/52/80/534985280.db2.gz DTZXVFABHROLGG-LBPRGKRZSA-N -1 3 297.782 3.034 20 0 CGADHM CC[C@H](C)CN(C)Cc1ccc(C(=O)[O-])cc1F ZINC000062751656 345239864 /nfs/dbraw/zinc/23/98/64/345239864.db2.gz WFANILIVKOZZBN-JTQLQIEISA-N -1 3 253.317 3.002 20 0 CGADHM CC(C)CN(C)c1ccc(C(=O)Nc2ncccc2[O-])cc1 ZINC000063536109 345248788 /nfs/dbraw/zinc/24/87/88/345248788.db2.gz JCSGHTCNHNFWDE-UHFFFAOYSA-N -1 3 299.374 3.132 20 0 CGADHM Cc1noc(C)c1CCC(=O)Nc1cc(Cl)ccc1[O-] ZINC000067145367 345315773 /nfs/dbraw/zinc/31/57/73/345315773.db2.gz GPDDHNPLDGGJLG-UHFFFAOYSA-N -1 3 294.738 3.222 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2cnc(C(C)(C)C)nc2)c1 ZINC000064823571 345265035 /nfs/dbraw/zinc/26/50/35/345265035.db2.gz DQUMWZSJDACDNZ-UHFFFAOYSA-N -1 3 285.347 3.040 20 0 CGADHM CC(C)CCN(C)C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000065618774 345275625 /nfs/dbraw/zinc/27/56/25/345275625.db2.gz DVCBWNDUJBDIAZ-UHFFFAOYSA-N -1 3 275.392 3.389 20 0 CGADHM C[C@H](Oc1ccc(F)c(F)c1)C(=O)Nc1ccccc1[O-] ZINC000068411231 345352825 /nfs/dbraw/zinc/35/28/25/345352825.db2.gz RFXMRSJZVPEDPF-VIFPVBQESA-N -1 3 293.269 3.076 20 0 CGADHM O=C1[C@@H]([N-]c2nc3ccccc3o2)CCN1c1ccccc1 ZINC000068769772 345362201 /nfs/dbraw/zinc/36/22/01/345362201.db2.gz TYVVRNKSAMIXRX-AWEZNQCLSA-N -1 3 293.326 3.045 20 0 CGADHM C[C@H]1CN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)C[C@H]1C ZINC000072870332 345420109 /nfs/dbraw/zinc/42/01/09/345420109.db2.gz QTWGXUAVWIPPAS-PHIMTYICSA-N -1 3 297.358 3.169 20 0 CGADHM C[C@@H]1[C@@H](C)CCCN1Cc1ccc(F)cc1C(=O)[O-] ZINC000071264830 345402516 /nfs/dbraw/zinc/40/25/16/345402516.db2.gz QBXOQWWQFYZOOG-WDEREUQCSA-N -1 3 265.328 3.144 20 0 CGADHM CC[C@@H]1CN(C(=O)c2ccc(C(C)C)cc2[O-])CCS1 ZINC000075385614 345506757 /nfs/dbraw/zinc/50/67/57/345506757.db2.gz GSJDGWIOHDOUES-CYBMUJFWSA-N -1 3 293.432 3.483 20 0 CGADHM Cc1oc(CN2CCC[C@H]3CCC[C@@H]32)cc1C(=O)[O-] ZINC000087777763 345756949 /nfs/dbraw/zinc/75/69/49/345756949.db2.gz OGUBCRJQXVQPHZ-RISCZKNCSA-N -1 3 263.337 3.051 20 0 CGADHM CCc1cccc(C(=O)N2CCc3ccc(F)cc32)c1[O-] ZINC000081958096 345721159 /nfs/dbraw/zinc/72/11/59/345721159.db2.gz ZDDXOCPIKZRGMX-UHFFFAOYSA-N -1 3 285.318 3.297 20 0 CGADHM C[C@@H]1[C@H](C(=O)[O-])CCN1Cc1ccccc1C(F)(F)F ZINC000092940420 345863661 /nfs/dbraw/zinc/86/36/61/345863661.db2.gz SOKIOEOJZHGIRQ-MWLCHTKSSA-N -1 3 287.281 3.000 20 0 CGADHM Cc1ccc([O-])c(CN2C[C@@H](C)[C@@H]2c2ccccc2)n1 ZINC000093867437 345890131 /nfs/dbraw/zinc/89/01/31/345890131.db2.gz AFVRGVDVVITYQE-SJKOYZFVSA-N -1 3 268.360 3.289 20 0 CGADHM CCc1noc(C)c1NC(=O)c1cccc(CC)c1[O-] ZINC000093246303 345873393 /nfs/dbraw/zinc/87/33/93/345873393.db2.gz QRTODIRKZZDZLC-UHFFFAOYSA-N -1 3 274.320 3.066 20 0 CGADHM C[C@@H](c1ccccc1F)N1CCC(CC(=O)[O-])CC1 ZINC000093682182 345884036 /nfs/dbraw/zinc/88/40/36/345884036.db2.gz PVXRHXUXHAHLIR-NSHDSACASA-N -1 3 265.328 3.073 20 0 CGADHM CCOc1ccc([C@@H](C)NCc2nc(C)ccc2[O-])cc1 ZINC000112716458 345958394 /nfs/dbraw/zinc/95/83/94/345958394.db2.gz DMDNUCJYGHHBTI-CYBMUJFWSA-N -1 3 286.375 3.345 20 0 CGADHM O=C([O-])[C@]1(C(F)(F)F)CCN(C/C=C/c2ccccc2)C1 ZINC000111242528 345948732 /nfs/dbraw/zinc/94/87/32/345948732.db2.gz DXCMWSLYHGMKGB-GBXSZLQWSA-N -1 3 299.292 3.039 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)[C@H](C)OCC2CC2)c1[O-] ZINC000116979930 345980803 /nfs/dbraw/zinc/98/08/03/345980803.db2.gz JQUSFEUYBXXZQB-VIFPVBQESA-N -1 3 283.755 3.108 20 0 CGADHM CC(C)c1ncc(C(=O)[N-]c2nnc(C3CC3)s2)s1 ZINC000120624470 345999048 /nfs/dbraw/zinc/99/90/48/345999048.db2.gz HOEDWQJZYZEQFE-UHFFFAOYSA-N -1 3 294.405 3.248 20 0 CGADHM CC[C@@H]1CCCCCN1C(=O)NCc1ccc([O-])c(F)c1 ZINC000120723827 345999147 /nfs/dbraw/zinc/99/91/47/345999147.db2.gz NRPCCZVFBPNIHO-CYBMUJFWSA-N -1 3 294.370 3.396 20 0 CGADHM Cn1cc(CC(=O)Nc2ccc([O-])cc2F)c2ccccc21 ZINC000124622748 346012580 /nfs/dbraw/zinc/01/25/80/346012580.db2.gz WRHMVRPNGPWYSC-UHFFFAOYSA-N -1 3 298.317 3.204 20 0 CGADHM Cc1ccc([C@@H](NCCC(=O)[O-])c2ccccc2)cc1 ZINC000143611628 346114738 /nfs/dbraw/zinc/11/47/38/346114738.db2.gz MSIVLBQGRMCLMM-KRWDZBQOSA-N -1 3 269.344 3.149 20 0 CGADHM CN(C(=O)c1cc(Oc2ccccc2)ccc1[O-])C1CC1 ZINC000177401860 232366543 /nfs/dbraw/zinc/36/65/43/232366543.db2.gz KJIYNLARBQQFFJ-UHFFFAOYSA-N -1 3 283.327 3.419 20 0 CGADHM CCCCOC1CCN(Cc2c(F)ccc([O-])c2F)CC1 ZINC000351674537 219172160 /nfs/dbraw/zinc/17/21/60/219172160.db2.gz VZGQHTBEMSFNLO-UHFFFAOYSA-N -1 3 299.361 3.452 20 0 CGADHM C[C@@H](CCc1ccccc1F)C(=O)Nc1ncccc1[O-] ZINC000175024647 346246695 /nfs/dbraw/zinc/24/66/95/346246695.db2.gz YESZGXDDKLDEHH-NSHDSACASA-N -1 3 288.322 3.134 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N2CC[C@H](Cc3ccccc3)C2)n1 ZINC000192601519 346268191 /nfs/dbraw/zinc/26/81/91/346268191.db2.gz QZBQCDAVEIZNBS-GOEBONIOSA-N -1 3 297.402 3.116 20 0 CGADHM CS[C@@H]1CCCC[C@H]1NC(=O)c1ccc([O-])c(C)c1 ZINC000227032889 346308067 /nfs/dbraw/zinc/30/80/67/346308067.db2.gz SSOYIRTXSYLRBQ-TZMCWYRMSA-N -1 3 279.405 3.105 20 0 CGADHM O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1ccc(F)cc1Cl ZINC000229210524 346315973 /nfs/dbraw/zinc/31/59/73/346315973.db2.gz ZJYGUZGOEIOAPG-LQJRIPTKSA-N -1 3 297.757 3.164 20 0 CGADHM C[C@H](Cc1ccsc1)NC(=O)c1cc([O-])ccc1Cl ZINC000235478956 346336244 /nfs/dbraw/zinc/33/62/44/346336244.db2.gz OKMZTTBXGGHIEB-SECBINFHSA-N -1 3 295.791 3.468 20 0 CGADHM O=C(c1cc([O-])ccc1Cl)N1CC[C@@H]2CCCC[C@@H]21 ZINC000236605658 346341231 /nfs/dbraw/zinc/34/12/31/346341231.db2.gz DUBYXOBQXBRMLY-HZMBPMFUSA-N -1 3 279.767 3.450 20 0 CGADHM C[C@@H]1CCN(Cc2ccc(C(=O)[O-])cc2F)C[C@H]1C ZINC000253061654 346393316 /nfs/dbraw/zinc/39/33/16/346393316.db2.gz FFHVOOIQAXFCDC-GHMZBOCLSA-N -1 3 265.328 3.002 20 0 CGADHM CC(C)(NCc1cccc([O-])c1Br)C1CC1 ZINC000315296856 346483124 /nfs/dbraw/zinc/48/31/24/346483124.db2.gz XDCRQUGYJXOGKV-UHFFFAOYSA-N -1 3 284.197 3.433 20 0 CGADHM COc1ccc([O-])c(C(=O)NC(C2CCC2)C2CCC2)c1 ZINC000325193428 346491372 /nfs/dbraw/zinc/49/13/72/346491372.db2.gz DDDJZQWXAQWPQX-UHFFFAOYSA-N -1 3 289.375 3.099 20 0 CGADHM CC[C@@H]1CC[C@@H](C)N(C(=O)c2cccc(C)c2[O-])C1 ZINC000388112465 346569502 /nfs/dbraw/zinc/56/95/02/346569502.db2.gz HRQSONAIWFRDJD-CHWSQXEVSA-N -1 3 261.365 3.351 20 0 CGADHM C[C@@H](c1ccccc1F)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000405300718 346603140 /nfs/dbraw/zinc/60/31/40/346603140.db2.gz SFBMUXUKAJZXLE-WCQYABFASA-N -1 3 277.339 3.073 20 0 CGADHM CSCC1CCC(NC(=O)c2ccc(C)cc2[O-])CC1 ZINC000385767164 346566511 /nfs/dbraw/zinc/56/65/11/346566511.db2.gz ZLODKBZVZGFUAY-UHFFFAOYSA-N -1 3 293.432 3.352 20 0 CGADHM CC[C@@H](c1ccccc1OC)N(C)Cc1ncccc1[O-] ZINC000584688041 346707170 /nfs/dbraw/zinc/70/71/70/346707170.db2.gz ZSUAGUYDAKOWPA-HNNXBMFYSA-N -1 3 286.375 3.379 20 0 CGADHM CC(=O)Nc1cccc(NCc2c(F)ccc([O-])c2F)c1 ZINC000351814156 219214128 /nfs/dbraw/zinc/21/41/28/219214128.db2.gz IRTNZRURNSVTRB-UHFFFAOYSA-N -1 3 292.285 3.241 20 0 CGADHM CCS[C@@H]1CCC[C@@H]1NC(=O)c1c(C)cccc1[O-] ZINC000599630714 347760065 /nfs/dbraw/zinc/76/00/65/347760065.db2.gz UWZSFTDXCKESQR-WCQYABFASA-N -1 3 279.405 3.105 20 0 CGADHM Cc1cnn(CCSCc2cc([O-])ccc2Cl)c1 ZINC000600627163 347817981 /nfs/dbraw/zinc/81/79/81/347817981.db2.gz SLRGUDQMAOTTHB-UHFFFAOYSA-N -1 3 282.796 3.484 20 0 CGADHM CCCn1c(=O)[n-]nc1SCc1ccc(CC)cc1 ZINC000604930941 348138820 /nfs/dbraw/zinc/13/88/20/348138820.db2.gz UOAGTHGBCCBRJH-UHFFFAOYSA-N -1 3 277.393 3.248 20 0 CGADHM CCN(CC(F)F)C(=O)c1ccc(C(C)C)cc1[O-] ZINC000273374923 192130292 /nfs/dbraw/zinc/13/02/92/192130292.db2.gz HBJRWRXUDVMADA-UHFFFAOYSA-N -1 3 271.307 3.243 20 0 CGADHM COc1cc(C)cc(-c2nc(CCC(C)C)no2)c1[O-] ZINC000273379978 192132820 /nfs/dbraw/zinc/13/28/20/192132820.db2.gz FSZNRKMPJBKLEP-UHFFFAOYSA-N -1 3 276.336 3.348 20 0 CGADHM Cc1cccc(C(C)C)c1NC(=O)Cc1cncc([O-])c1 ZINC000611917948 348479934 /nfs/dbraw/zinc/47/99/34/348479934.db2.gz BMWJLTJPJQZKTH-UHFFFAOYSA-N -1 3 284.359 3.400 20 0 CGADHM CSc1ccc([O-])c(C(=O)N2[C@@H](C)CC[C@@H]2C)c1 ZINC000612311879 348509131 /nfs/dbraw/zinc/50/91/31/348509131.db2.gz RSSRCGYGOQZHBM-UWVGGRQHSA-N -1 3 265.378 3.127 20 0 CGADHM C[C@@H]1CC[C@@H](CNC(=O)Cc2ccc([O-])cc2Cl)C1 ZINC000357997765 233033982 /nfs/dbraw/zinc/03/39/82/233033982.db2.gz YUDPAHQEMUEIFD-GHMZBOCLSA-N -1 3 281.783 3.141 20 0 CGADHM CSc1ccc([O-])c(C(=O)N(C)CCOC(C)(C)C)c1 ZINC000612595803 348532499 /nfs/dbraw/zinc/53/24/99/348532499.db2.gz PMLSGZJMHPTKIR-UHFFFAOYSA-N -1 3 297.420 3.001 20 0 CGADHM O=C(Nc1ccc(Cl)cc1[O-])C1CC2(CC2)C1 ZINC000613027255 348560032 /nfs/dbraw/zinc/56/00/32/348560032.db2.gz KHDBWBRFJNZHTG-UHFFFAOYSA-N -1 3 251.713 3.174 20 0 CGADHM C[C@H]1CCC[C@@H]1CC(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000615138294 348717389 /nfs/dbraw/zinc/71/73/89/348717389.db2.gz XQHLDMIUOSHTEA-VHSXEESVSA-N -1 3 273.336 3.033 20 0 CGADHM CCc1cc(C(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)oc1CC ZINC000615138333 348717719 /nfs/dbraw/zinc/71/77/19/348717719.db2.gz ZPBOZZVJDGUKEP-UHFFFAOYSA-N -1 3 299.330 3.239 20 0 CGADHM CC1(C)CC[C@H]1C(=O)Nc1c([O-])cccc1Cl ZINC000615321547 348731994 /nfs/dbraw/zinc/73/19/94/348731994.db2.gz GSHARPDEYSQCPM-QMMMGPOBSA-N -1 3 253.729 3.420 20 0 CGADHM CC(C)(C)c1ccc(NC(=O)CCc2ccon2)c([O-])c1 ZINC000614487793 348680245 /nfs/dbraw/zinc/68/02/45/348680245.db2.gz GTZLLMBRBGKLDN-UHFFFAOYSA-N -1 3 288.347 3.249 20 0 CGADHM C[C@@H]1CCC[C@@H](C(=O)NCc2ccc([O-])c3ncccc23)C1 ZINC000616024782 348782424 /nfs/dbraw/zinc/78/24/24/348782424.db2.gz FTMHVVLWWSJWGE-CHWSQXEVSA-N -1 3 298.386 3.383 20 0 CGADHM C[C@H]1CCC[C@@H]1CC(=O)NCc1ccc([O-])c2ncccc12 ZINC000616023505 348782468 /nfs/dbraw/zinc/78/24/68/348782468.db2.gz SWONFKIJJMDDDO-QWHCGFSZSA-N -1 3 298.386 3.383 20 0 CGADHM C[C@H]1CCC[C@@H](C(=O)NCc2ccc([O-])c3ncccc23)C1 ZINC000616024784 348782641 /nfs/dbraw/zinc/78/26/41/348782641.db2.gz FTMHVVLWWSJWGE-QWHCGFSZSA-N -1 3 298.386 3.383 20 0 CGADHM CC(C)(C(=O)NCc1ccc([O-])c2ncccc12)C1CCC1 ZINC000616021255 348782713 /nfs/dbraw/zinc/78/27/13/348782713.db2.gz XXGZUPKSCKUBLA-UHFFFAOYSA-N -1 3 298.386 3.383 20 0 CGADHM CSc1ccc([O-])c(C(=O)N[C@@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000616241704 348801862 /nfs/dbraw/zinc/80/18/62/348801862.db2.gz GIGHWMWSMFGTHH-SUZMYJTESA-N -1 3 277.389 3.033 20 0 CGADHM Cc1ccc(C(=O)N2[C@@H](C)CCC2(C)C)c([O-])c1C ZINC000616164656 348792022 /nfs/dbraw/zinc/79/20/22/348792022.db2.gz FLNMRXNZIBPEST-NSHDSACASA-N -1 3 261.365 3.412 20 0 CGADHM C[C@@H]1Cc2ccccc2CN1Cc1cc([O-])cc(F)c1 ZINC000351997334 219282368 /nfs/dbraw/zinc/28/23/68/219282368.db2.gz UDFONQCAOOPPTK-GFCCVEGCSA-N -1 3 271.335 3.478 20 0 CGADHM C[C@H](C(=O)Nc1ccc([O-])cc1Cl)C(F)(F)F ZINC000616940687 348884806 /nfs/dbraw/zinc/88/48/06/348884806.db2.gz BZRLTLNRPRRKLE-RXMQYKEDSA-N -1 3 267.634 3.183 20 0 CGADHM CO[C@H]1CCCC[C@H]1C(=O)Nc1ccc([O-])cc1Cl ZINC000616940266 348885127 /nfs/dbraw/zinc/88/51/27/348885127.db2.gz VSJKDOVPFPWRKL-MFKMUULPSA-N -1 3 283.755 3.189 20 0 CGADHM C[C@@H](C(=O)Nc1ccc([O-])cc1Cl)N1CCCCCC1 ZINC000616942261 348885697 /nfs/dbraw/zinc/88/56/97/348885697.db2.gz WZFHAIFUPJQRPO-NSHDSACASA-N -1 3 296.798 3.249 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-]CC[C@H]2CCCC[C@H]2C)o1 ZINC000358424982 233130757 /nfs/dbraw/zinc/13/07/57/233130757.db2.gz HJAVLTPSPVYNPX-DGCLKSJQSA-N -1 3 285.409 3.083 20 0 CGADHM Cc1ncsc1C(=O)[N-]c1nnc(CCC(C)C)s1 ZINC000617097268 348917442 /nfs/dbraw/zinc/91/74/42/348917442.db2.gz NNZGAEWGYUVOTC-UHFFFAOYSA-N -1 3 296.421 3.144 20 0 CGADHM Cc1cccc(C(=O)N2CCC(c3ccco3)CC2)c1[O-] ZINC000617380187 348954441 /nfs/dbraw/zinc/95/44/41/348954441.db2.gz YRLDBBRGVJYNOX-UHFFFAOYSA-N -1 3 285.343 3.313 20 0 CGADHM COc1cc(C(=O)N2CCC(C3CCC3)CC2)ccc1[O-] ZINC000617771625 349005821 /nfs/dbraw/zinc/00/58/21/349005821.db2.gz WQQNBKHWYQFNSG-UHFFFAOYSA-N -1 3 289.375 3.053 20 0 CGADHM COC(=O)c1ccc(C=Cc2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC000352029318 219294392 /nfs/dbraw/zinc/29/43/92/219294392.db2.gz YEDQRMXSSMOSHB-RUDMXATFSA-N -1 3 296.326 3.017 20 0 CGADHM CC[C@H](NC(=O)c1cc([O-])ccc1C(F)(F)F)C1CC1 ZINC000618870789 349170467 /nfs/dbraw/zinc/17/04/67/349170467.db2.gz FZHRFKXLVUNXAT-LBPRGKRZSA-N -1 3 287.281 3.329 20 0 CGADHM Cc1ccc(CC2CN(C(=O)c3ccc([O-])c(C)c3)C2)cc1 ZINC000618888777 349176046 /nfs/dbraw/zinc/17/60/46/349176046.db2.gz BIWXNIBXSWQUSJ-UHFFFAOYSA-N -1 3 295.382 3.324 20 0 CGADHM CC[C@@H]1CC[C@@H](C)N(C(=O)Cc2ccc([O-])c(F)c2)C1 ZINC000619128708 349209818 /nfs/dbraw/zinc/20/98/18/349209818.db2.gz MTHJNGFQLPEJJL-VXGBXAGGSA-N -1 3 279.355 3.111 20 0 CGADHM Cc1cc(C(=O)NC2CCC3(CC3(F)F)CC2)ccc1[O-] ZINC000619228878 349224604 /nfs/dbraw/zinc/22/46/04/349224604.db2.gz DDKUKMFKUPVKIJ-UHFFFAOYSA-N -1 3 295.329 3.398 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2ccc3ncccc3c2)n1 ZINC000352034713 219297654 /nfs/dbraw/zinc/29/76/54/219297654.db2.gz GPNZZTCZJMTOKQ-FNORWQNLSA-N -1 3 263.300 3.209 20 0 CGADHM COc1ccc2oc(C=Cc3nc(C)cc(=O)[n-]3)cc2c1 ZINC000352039155 219298581 /nfs/dbraw/zinc/29/85/81/219298581.db2.gz CRDNHBGWWVNGIF-XQRVVYSFSA-N -1 3 282.299 3.416 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2cn(C)nc2-c2cccs2)n1 ZINC000352039287 219298825 /nfs/dbraw/zinc/29/88/25/219298825.db2.gz FPXBZOXTPOBPKY-AATRIKPKSA-N -1 3 298.371 3.123 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2ccc3occc3c2)n1 ZINC000352036182 219299208 /nfs/dbraw/zinc/29/92/08/219299208.db2.gz XFKLBMMRZPVNLC-HWKANZROSA-N -1 3 252.273 3.407 20 0 CGADHM CO[C@@H](CNC(=O)c1ccc([O-])c(C)c1)C1CCCCC1 ZINC000620374528 349365460 /nfs/dbraw/zinc/36/54/60/349365460.db2.gz JLPGIMJLFKAQBB-INIZCTEOSA-N -1 3 291.391 3.026 20 0 CGADHM CCc1cc(C(=O)NCc2cccc(OC)c2C)ccc1[O-] ZINC000620749576 349420477 /nfs/dbraw/zinc/42/04/77/349420477.db2.gz FMZRKELRJQVTKM-UHFFFAOYSA-N -1 3 299.370 3.202 20 0 CGADHM Cc1cccc(-c2nc(-c3coc(C4CC4)n3)no2)c1[O-] ZINC000624716677 350089536 /nfs/dbraw/zinc/08/95/36/350089536.db2.gz ZMISATIDHQLIEE-UHFFFAOYSA-N -1 3 283.287 3.283 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CC[C@@H](c2ccccc2)C1 ZINC000624891257 350114753 /nfs/dbraw/zinc/11/47/53/350114753.db2.gz XTHLYJIOWCVEPH-OAHLLOKOSA-N -1 3 281.355 3.330 20 0 CGADHM Cc1ccc(CNCc2c(F)ccc([O-])c2F)cc1F ZINC000352059553 219306735 /nfs/dbraw/zinc/30/67/35/219306735.db2.gz GLYBGBIXIDDHGQ-UHFFFAOYSA-N -1 3 281.277 3.408 20 0 CGADHM CN(Cc1cc([O-])ccc1Cl)C[C@@H]1CCCC[C@H]1O ZINC000625315800 350157093 /nfs/dbraw/zinc/15/70/93/350157093.db2.gz WPRVWFNHVTVADX-XHDPSFHLSA-N -1 3 283.799 3.029 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CCCc2ccccc2C1 ZINC000625338101 350160913 /nfs/dbraw/zinc/16/09/13/350160913.db2.gz AWBGADTXBZHENQ-UHFFFAOYSA-N -1 3 281.355 3.289 20 0 CGADHM [O-]c1ccc(Cl)c(CN2CC[C@]3(CC3(F)F)C2)c1 ZINC000625512799 350179402 /nfs/dbraw/zinc/17/94/02/350179402.db2.gz ONWSACVDPDQZKB-LBPRGKRZSA-N -1 3 273.710 3.277 20 0 CGADHM CSc1ccc(CN2CC[C@@H](C(=O)[O-])[C@@H](C)C2)s1 ZINC000625970442 350237708 /nfs/dbraw/zinc/23/77/08/350237708.db2.gz QUSRJJPNSDBZRU-GXSJLCMTSA-N -1 3 285.434 3.013 20 0 CGADHM CCn1nc(C)c(NC(=O)c2ccc(C)c(C)c2[O-])c1C ZINC000271344219 191085765 /nfs/dbraw/zinc/08/57/65/191085765.db2.gz GPIIXDALVOEVDX-UHFFFAOYSA-N -1 3 287.363 3.095 20 0 CGADHM O=c1nc(CN2CCCC3(CC3)CC2)[n-]c2ccsc21 ZINC000626114602 350263931 /nfs/dbraw/zinc/26/39/31/350263931.db2.gz LWFOYCZOQJJVSI-UHFFFAOYSA-N -1 3 289.404 3.163 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CC[C@@]2(CC[C@H](C)C2)C1 ZINC000626415365 350304193 /nfs/dbraw/zinc/30/41/93/350304193.db2.gz XMCPLSBODUAYEW-YVEFUNNKSA-N -1 3 273.376 3.353 20 0 CGADHM Cc1noc(C2CC2)c1NC(=O)c1c(C)cccc1[O-] ZINC000626425038 350304783 /nfs/dbraw/zinc/30/47/83/350304783.db2.gz IPFHMOQVSWJZEE-UHFFFAOYSA-N -1 3 272.304 3.127 20 0 CGADHM Cc1cccc([O-])c1C(=O)N(C)C[C@@H]1CC=CCC1 ZINC000626431730 350305308 /nfs/dbraw/zinc/30/53/08/350305308.db2.gz HIVKYSMLQTUMEQ-CYBMUJFWSA-N -1 3 259.349 3.129 20 0 CGADHM Cc1ccc(CNCc2c(F)ccc([O-])c2F)s1 ZINC000352142886 219336646 /nfs/dbraw/zinc/33/66/46/219336646.db2.gz NBXJXULUWHIBCM-UHFFFAOYSA-N -1 3 269.316 3.330 20 0 CGADHM Cc1cccc([O-])c1C(=O)N(C)[C@@H]1CCC(C)(C)C1 ZINC000626783517 350341081 /nfs/dbraw/zinc/34/10/81/350341081.db2.gz FMWDEMQVKMRZJU-GFCCVEGCSA-N -1 3 261.365 3.351 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CC[C@](F)(c2ccccc2)C1 ZINC000626940046 350348187 /nfs/dbraw/zinc/34/81/87/350348187.db2.gz SGSADBAWBYMHLJ-GOSISDBHSA-N -1 3 299.345 3.412 20 0 CGADHM Cc1cccc([O-])c1C(=O)N(CCC1CC1)CC1CC1 ZINC000628150142 350412869 /nfs/dbraw/zinc/41/28/69/350412869.db2.gz DVHSBFJTGXSJRF-UHFFFAOYSA-N -1 3 273.376 3.353 20 0 CGADHM CCc1cc(C(=O)N2CCCC(F)(F)CC2)ccc1[O-] ZINC000628630435 350579462 /nfs/dbraw/zinc/57/94/62/350579462.db2.gz VZTCLSJXBPJUPH-UHFFFAOYSA-N -1 3 283.318 3.216 20 0 CGADHM C[C@@H]1CN(Cc2ccsc2C(=O)[O-])C[C@@H](C)C1(F)F ZINC000629364244 350678417 /nfs/dbraw/zinc/67/84/17/350678417.db2.gz KIMDAPJHEHFDGR-RKDXNWHRSA-N -1 3 289.347 3.169 20 0 CGADHM C/C=C/C[C@@H]1CCCN(C(=O)c2ccc3[nH][n-]c(=O)c3c2)C1 ZINC000629868914 350777506 /nfs/dbraw/zinc/77/75/06/350777506.db2.gz DDQFAUZREAEING-QAVQXKDTSA-N -1 3 299.374 3.087 20 0 CGADHM CC(C)[C@H](CNCc1c(F)ccc(F)c1Cl)C(=O)[O-] ZINC000630449395 350841901 /nfs/dbraw/zinc/84/19/01/350841901.db2.gz KTPDRDHOUKKBFV-QMMMGPOBSA-N -1 3 291.725 3.065 20 0 CGADHM O=C([O-])C[C@H](CNCc1cccc(F)c1F)C1CCCC1 ZINC000630470828 350845382 /nfs/dbraw/zinc/84/53/82/350845382.db2.gz LRKFPQWRSLTHKU-CYBMUJFWSA-N -1 3 297.345 3.336 20 0 CGADHM CC(C)(C)c1nc[nH]c1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000632029060 351159279 /nfs/dbraw/zinc/15/92/79/351159279.db2.gz BBOSFICZULEFRL-UHFFFAOYSA-N -1 3 293.754 3.319 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)[C@@H]2C[C@H](C)O[C@@H]2C)c1[O-] ZINC000632147092 351172867 /nfs/dbraw/zinc/17/28/67/351172867.db2.gz BHJMTJXWFDHWGF-IQJOONFLSA-N -1 3 283.755 3.106 20 0 CGADHM CC[C@@H](C)Cc1noc(Cc2ccc([O-])c(F)c2)n1 ZINC000632249353 351187271 /nfs/dbraw/zinc/18/72/71/351187271.db2.gz LGGLMHQZFZXXDH-SECBINFHSA-N -1 3 264.300 3.094 20 0 CGADHM C[C@@H](C(=O)N1CC[C@H](C)c2cccc([O-])c21)c1ccncc1 ZINC000632506853 351202395 /nfs/dbraw/zinc/20/23/95/351202395.db2.gz LCUPQZUFEPKECO-QWHCGFSZSA-N -1 3 296.370 3.431 20 0 CGADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@]12C[C@H]1CCCC2 ZINC000634089625 351437775 /nfs/dbraw/zinc/43/77/75/351437775.db2.gz LCKSRTOYDMDPAP-CXAGYDPISA-N -1 3 291.366 3.303 20 0 CGADHM COc1cc(C(=O)NCc2csc(C)c2C)ccc1[O-] ZINC000633970897 351411827 /nfs/dbraw/zinc/41/18/27/351411827.db2.gz BQZHAHQRKSNVET-UHFFFAOYSA-N -1 3 291.372 3.009 20 0 CGADHM CCCN(CC1CC1)C(=O)c1ccc([O-])c(CC)c1 ZINC000291407335 198013736 /nfs/dbraw/zinc/01/37/36/198013736.db2.gz FZBMUNFDBSXLRX-UHFFFAOYSA-N -1 3 261.365 3.217 20 0 CGADHM C[C@@H]1CCc2[n-]n(Cc3cccc(Cl)c3)c(=O)c21 ZINC000634605022 351538791 /nfs/dbraw/zinc/53/87/91/351538791.db2.gz YUOKOJJZLUKDSP-NOZJJQNGSA-N -1 3 262.740 3.084 20 0 CGADHM Cc1[n-]n(Cc2ccc(Cl)cc2)c(=O)c1C1CC1 ZINC000634607424 351539984 /nfs/dbraw/zinc/53/99/84/351539984.db2.gz XAZISODQIVWGIY-CYBMUJFWSA-N -1 3 262.740 3.084 20 0 CGADHM CCc1c(-c2ccccc2)[n-]n([C@H](C)c2ccncc2)c1=O ZINC000634626582 351550745 /nfs/dbraw/zinc/55/07/45/351550745.db2.gz HJQHUMYPRQTKRF-CZUORRHYSA-N -1 3 293.370 3.415 20 0 CGADHM CC(C)c1ccc(C(=O)N2OC3CCC2CC3)c([O-])c1 ZINC000636405702 351751541 /nfs/dbraw/zinc/75/15/41/351751541.db2.gz MOMSGNUSUMQHRX-UHFFFAOYSA-N -1 3 275.348 3.214 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)Nc1ccc(C)c(NC(C)=O)c1 ZINC000291673564 198059195 /nfs/dbraw/zinc/05/91/95/198059195.db2.gz BNODYPUFFHRDLR-SNVBAGLBSA-N -1 3 293.367 3.053 20 0 CGADHM CC[C@H](C)[C@H](C)NC(=O)Cc1ccc([O-])cc1Cl ZINC000122947397 187061546 /nfs/dbraw/zinc/06/15/46/187061546.db2.gz QXWQOVYTDKDFRQ-UWVGGRQHSA-N -1 3 269.772 3.139 20 0 CGADHM C[C@@H](CCC(=O)Nc1ncccc1[O-])c1ccccc1 ZINC000123232609 187079305 /nfs/dbraw/zinc/07/93/05/187079305.db2.gz FATQKGCKVNHISP-LBPRGKRZSA-N -1 3 270.332 3.310 20 0 CGADHM CCCC[C@@H](C)N(C)C(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000291995996 198129016 /nfs/dbraw/zinc/12/90/16/198129016.db2.gz LQCVNDOCXBXMIA-LLVKDONJSA-N -1 3 292.379 3.001 20 0 CGADHM NC(=O)c1ccc([N-]C(=O)c2sccc2F)c(F)c1 ZINC000336469356 213338328 /nfs/dbraw/zinc/33/83/28/213338328.db2.gz ADSRBXLDVYEUOE-UHFFFAOYSA-N -1 3 282.271 3.162 20 0 CGADHM COC(C)(C)c1noc(-c2ccc(C(C)C)cc2[O-])n1 ZINC000273494405 192175759 /nfs/dbraw/zinc/17/57/59/192175759.db2.gz WVUHCQMGUVOHJY-UHFFFAOYSA-N -1 3 276.336 3.447 20 0 CGADHM C[C@@H](CC(=O)[N-]OC1CCCC1)c1ccc(F)cc1F ZINC000271632342 191249141 /nfs/dbraw/zinc/24/91/41/191249141.db2.gz BLYFCKKIKVAHPL-JTQLQIEISA-N -1 3 283.318 3.449 20 0 CGADHM Cc1c(Cl)cccc1NC([O-])=NO[C@H]1CCCCO1 ZINC000155432962 188205768 /nfs/dbraw/zinc/20/57/68/188205768.db2.gz GHRNXZLSVJGNDJ-LBPRGKRZSA-N -1 3 284.743 3.228 20 0 CGADHM Cc1c(Cl)cccc1NC(=O)[N-]O[C@H]1CCCCO1 ZINC000155432962 188205769 /nfs/dbraw/zinc/20/57/69/188205769.db2.gz GHRNXZLSVJGNDJ-LBPRGKRZSA-N -1 3 284.743 3.228 20 0 CGADHM [O-]C(=NO[C@H]1CCCCO1)Nc1ccc(F)c(Cl)c1 ZINC000155475756 188208840 /nfs/dbraw/zinc/20/88/40/188208840.db2.gz ZNHINPITEUCHGK-NSHDSACASA-N -1 3 288.706 3.059 20 0 CGADHM O=C([N-]O[C@H]1CCCCO1)Nc1ccc(F)c(Cl)c1 ZINC000155475756 188208841 /nfs/dbraw/zinc/20/88/41/188208841.db2.gz ZNHINPITEUCHGK-NSHDSACASA-N -1 3 288.706 3.059 20 0 CGADHM COc1cccc(S[C@@H](C)c2nc(C)cc(=O)[n-]2)c1 ZINC000155932210 188236155 /nfs/dbraw/zinc/23/61/55/188236155.db2.gz ZJTVPDAWMMBDKF-JTQLQIEISA-N -1 3 276.361 3.353 20 0 CGADHM CC(C)Oc1ccccc1NC([O-])=NO[C@H]1CCCCO1 ZINC000155727985 188223766 /nfs/dbraw/zinc/22/37/66/188223766.db2.gz VTGQFYQTODORJZ-AWEZNQCLSA-N -1 3 294.351 3.054 20 0 CGADHM CC(C)Oc1ccccc1NC(=O)[N-]O[C@H]1CCCCO1 ZINC000155727985 188223767 /nfs/dbraw/zinc/22/37/67/188223767.db2.gz VTGQFYQTODORJZ-AWEZNQCLSA-N -1 3 294.351 3.054 20 0 CGADHM C[C@@H](CNCc1cccc([O-])c1Cl)c1nccs1 ZINC000292746506 198397077 /nfs/dbraw/zinc/39/70/77/198397077.db2.gz AVCBCFVVXBSCNY-VIFPVBQESA-N -1 3 282.796 3.395 20 0 CGADHM c1nc([C@@H]([N-]c2nc3ccccc3o2)c2ccccc2)n[nH]1 ZINC000372268994 234555402 /nfs/dbraw/zinc/55/54/02/234555402.db2.gz VMBFHHKQFCSLLE-AWEZNQCLSA-N -1 3 291.314 3.147 20 0 CGADHM CCOc1cc(F)ccc1NC([O-])=NOC1CCCC1 ZINC000271777652 191320846 /nfs/dbraw/zinc/32/08/46/191320846.db2.gz HCHQSZYJBMJWEZ-UHFFFAOYSA-N -1 3 282.315 3.220 20 0 CGADHM CCOc1cc(F)ccc1NC(=O)[N-]OC1CCCC1 ZINC000271777652 191320848 /nfs/dbraw/zinc/32/08/48/191320848.db2.gz HCHQSZYJBMJWEZ-UHFFFAOYSA-N -1 3 282.315 3.220 20 0 CGADHM CC(C)Oc1cccc(CC(=O)[N-]OC2CCCC2)c1 ZINC000271849288 191366422 /nfs/dbraw/zinc/36/64/22/191366422.db2.gz ZNKDPVWXFZGKIM-UHFFFAOYSA-N -1 3 277.364 3.007 20 0 CGADHM CCCN(CC)Cc1oc(-c2ccccc2)nc1C(=O)[O-] ZINC000517750268 283189066 /nfs/dbraw/zinc/18/90/66/283189066.db2.gz AOJKVVZLJSHPDE-UHFFFAOYSA-N -1 3 288.347 3.272 20 0 CGADHM O=C(Nc1ccncc1[O-])[C@@H]1C[C@H]1c1ccccc1Cl ZINC000109890633 138361973 /nfs/dbraw/zinc/36/19/73/138361973.db2.gz YWISDVVGCOFNPQ-WDEREUQCSA-N -1 3 288.734 3.183 20 0 CGADHM O=C(Nc1ccncc1[O-])[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000109890821 138362291 /nfs/dbraw/zinc/36/22/91/138362291.db2.gz URTPYBVMTOQONR-RKDXNWHRSA-N -1 3 288.269 3.094 20 0 CGADHM Cc1cc(C)c(C(=O)Nc2cc(Cl)ccc2[O-])[nH]1 ZINC000123829301 138370568 /nfs/dbraw/zinc/37/05/68/138370568.db2.gz XDMOPTASDMIPIX-UHFFFAOYSA-N -1 3 264.712 3.243 20 0 CGADHM Cc1ccc(C(=O)N(C)[C@@H](C)c2ccco2)c([O-])c1 ZINC000123970760 138371634 /nfs/dbraw/zinc/37/16/34/138371634.db2.gz HQCIZULEUQNRJD-NSHDSACASA-N -1 3 259.305 3.127 20 0 CGADHM C[C@@H]1C[C@@H](C)N1C(=O)CCc1ccc2ccccc2c1[O-] ZINC000336263331 213101009 /nfs/dbraw/zinc/10/10/09/213101009.db2.gz DRSSSAYDUZWKCA-CHWSQXEVSA-N -1 3 283.371 3.487 20 0 CGADHM Cc1cncc(CCC(=O)N2CCCc3cccc([O-])c32)c1 ZINC000294479505 199056175 /nfs/dbraw/zinc/05/61/75/199056175.db2.gz IISMGEMCTAEYAJ-UHFFFAOYSA-N -1 3 296.370 3.008 20 0 CGADHM C[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)c1cccc([O-])c1 ZINC000336234002 213064525 /nfs/dbraw/zinc/06/45/25/213064525.db2.gz APKHIPDOJDVHQX-CABZTGNLSA-N -1 3 287.281 3.195 20 0 CGADHM C[C@H]1CCSCCN1Cc1cccc([O-])c1Cl ZINC000294571853 199091327 /nfs/dbraw/zinc/09/13/27/199091327.db2.gz GMCCBYPOHZMFHH-JTQLQIEISA-N -1 3 271.813 3.373 20 0 CGADHM Cc1ccc(C)c(CN[C@H](C(=O)[O-])c2ccccc2F)c1 ZINC000426768927 236312531 /nfs/dbraw/zinc/31/25/31/236312531.db2.gz DKWJHOIRELVQKN-INIZCTEOSA-N -1 3 287.334 3.358 20 0 CGADHM COC(C)(C)CC(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000427051825 236321711 /nfs/dbraw/zinc/32/17/11/236321711.db2.gz DAYKKLUSILOYEU-UHFFFAOYSA-N -1 3 291.269 3.165 20 0 CGADHM CC(C)Sc1cccc(Cl)c1CN[C@H](C)C(=O)[O-] ZINC000263412554 138571241 /nfs/dbraw/zinc/57/12/41/138571241.db2.gz LYTSSXPUYQOEGZ-SECBINFHSA-N -1 3 287.812 3.403 20 0 CGADHM CO[C@H]1CCN(Cc2cccc([O-])c2Cl)[C@H](C)C1 ZINC000294694071 199137403 /nfs/dbraw/zinc/13/74/03/199137403.db2.gz NRTVKASXFPRPIK-PWSUYJOCSA-N -1 3 269.772 3.045 20 0 CGADHM Cc1cccc([O-])c1NC(=O)c1cncc(C(F)(F)F)c1 ZINC000336206668 213029267 /nfs/dbraw/zinc/02/92/67/213029267.db2.gz ZGJKBZXVEZSRTD-UHFFFAOYSA-N -1 3 296.248 3.367 20 0 CGADHM Cc1ccc(C(=O)Nc2cc3c(cc2C)OCO3)c([O-])c1C ZINC000436658280 237153917 /nfs/dbraw/zinc/15/39/17/237153917.db2.gz UFLNXQKVGJZDQG-UHFFFAOYSA-N -1 3 299.326 3.298 20 0 CGADHM [O-]c1ccccc1-c1nc(-c2ccc(F)cc2F)no1 ZINC000436538804 237123401 /nfs/dbraw/zinc/12/34/01/237123401.db2.gz WKOPIXDZUQTNBA-UHFFFAOYSA-N -1 3 274.226 3.387 20 0 CGADHM Cc1cccc([C@H](C)CNC(=O)c2ccccc2[O-])c1 ZINC000436559596 237127687 /nfs/dbraw/zinc/12/76/87/237127687.db2.gz ABPALXJIQIXGPD-CYBMUJFWSA-N -1 3 269.344 3.234 20 0 CGADHM Cc1ccc(C(=O)N2CC[C@H]2Cc2ccccc2)c([O-])c1 ZINC000436574633 237130817 /nfs/dbraw/zinc/13/08/17/237130817.db2.gz KPCBXTKYPMIDPN-HNNXBMFYSA-N -1 3 281.355 3.158 20 0 CGADHM C[C@H](NC(=O)c1ccccc1[O-])[C@@H]1Oc2ccccc2[C@@H]1C ZINC000436585642 237136639 /nfs/dbraw/zinc/13/66/39/237136639.db2.gz KKECNCKBIIHAFP-NVGCLXPQSA-N -1 3 297.354 3.075 20 0 CGADHM O=C(N[C@@H](c1cccs1)C1CC1)c1ccc(O)cc1[O-] ZINC000436586843 237137763 /nfs/dbraw/zinc/13/77/63/237137763.db2.gz WNDRYJQLTFVWFQ-CQSZACIVSA-N -1 3 289.356 3.040 20 0 CGADHM CC(C)ON=C([O-])Nc1ccc(Br)c(F)c1 ZINC000296910427 200032080 /nfs/dbraw/zinc/03/20/80/200032080.db2.gz NQCKGMWHACZXQI-UHFFFAOYSA-N -1 3 291.120 3.050 20 0 CGADHM CC(C)O[N-]C(=O)Nc1ccc(Br)c(F)c1 ZINC000296910427 200032082 /nfs/dbraw/zinc/03/20/82/200032082.db2.gz NQCKGMWHACZXQI-UHFFFAOYSA-N -1 3 291.120 3.050 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CC[C@@]3(CC[C@@H](C)C3)C2)c1 ZINC000436705234 237161965 /nfs/dbraw/zinc/16/19/65/237161965.db2.gz OMCUFSOEGNCJAT-CXAGYDPISA-N -1 3 273.376 3.353 20 0 CGADHM Cc1ccc(C(=O)NC[C@@H](C)c2ccc(F)cc2)c([O-])c1 ZINC000436720237 237164612 /nfs/dbraw/zinc/16/46/12/237164612.db2.gz DAEFOONCGHCFMZ-GFCCVEGCSA-N -1 3 287.334 3.373 20 0 CGADHM Cc1ccc(C(=O)Nc2scnc2C2CC2)c([O-])c1 ZINC000436712782 237165315 /nfs/dbraw/zinc/16/53/15/237165315.db2.gz HHTIAQPTPUZHPZ-UHFFFAOYSA-N -1 3 274.345 3.287 20 0 CGADHM CCOc1ncccc1NC(=O)c1cc(CC)ccc1[O-] ZINC000436759926 237178957 /nfs/dbraw/zinc/17/89/57/237178957.db2.gz INSWNSOXQXDIKE-UHFFFAOYSA-N -1 3 286.331 3.001 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)Nc1ccc2cnccc2c1 ZINC000296940121 200040109 /nfs/dbraw/zinc/04/01/09/200040109.db2.gz OHVSQNBSFHAXRE-LLVKDONJSA-N -1 3 273.336 3.334 20 0 CGADHM Cc1ccc(C(=O)NCc2ccc(OC(C)C)cc2)c([O-])c1 ZINC000436959065 237220346 /nfs/dbraw/zinc/22/03/46/237220346.db2.gz LQMQIBVVEQNMNR-UHFFFAOYSA-N -1 3 299.370 3.418 20 0 CGADHM Cc1ccc(C(=O)NCCC[C@@H]2CCCCO2)c([O-])c1C ZINC000436983853 237224224 /nfs/dbraw/zinc/22/42/24/237224224.db2.gz YDXHVQCFFGLYCA-AWEZNQCLSA-N -1 3 291.391 3.088 20 0 CGADHM Cc1nc(-c2noc(-c3ccc(C)c(C)c3[O-])n2)co1 ZINC000436887992 237204294 /nfs/dbraw/zinc/20/42/94/237204294.db2.gz YUNAPXAKHQEQFA-UHFFFAOYSA-N -1 3 271.276 3.022 20 0 CGADHM COC1CCC(CCNC(=O)c2cccc(C)c2[O-])CC1 ZINC000436937965 237216054 /nfs/dbraw/zinc/21/60/54/237216054.db2.gz HVTRRLWRNADHRA-UHFFFAOYSA-N -1 3 291.391 3.026 20 0 CGADHM Cc1ccc(C(F)(F)F)cc1NC([O-])=NOC(C)C ZINC000297026746 200065785 /nfs/dbraw/zinc/06/57/85/200065785.db2.gz UIYOAKSTSZFGEL-UHFFFAOYSA-N -1 3 276.258 3.475 20 0 CGADHM Cc1ccc(C(F)(F)F)cc1NC(=O)[N-]OC(C)C ZINC000297026746 200065787 /nfs/dbraw/zinc/06/57/87/200065787.db2.gz UIYOAKSTSZFGEL-UHFFFAOYSA-N -1 3 276.258 3.475 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)Nc1ccc(C(C)=O)c(C)c1 ZINC000297664230 200256775 /nfs/dbraw/zinc/25/67/75/200256775.db2.gz FLKJEVQBIWFWOT-JTQLQIEISA-N -1 3 278.352 3.297 20 0 CGADHM CC(=O)c1ccsc1[N-]C(=O)c1ncoc1C1CC1 ZINC000297848275 200292526 /nfs/dbraw/zinc/29/25/26/200292526.db2.gz MVPYEYYRDRHPRA-UHFFFAOYSA-N -1 3 276.317 3.068 20 0 CGADHM COc1ccc(C(=O)N([C@H](C)C(C)C)C2CC2)c([O-])c1 ZINC000298275625 200379528 /nfs/dbraw/zinc/37/95/28/200379528.db2.gz DFEXBUQZZLITEZ-LLVKDONJSA-N -1 3 277.364 3.050 20 0 CGADHM CCc1cc(C(=O)NCc2ccc(C)s2)ccc1[O-] ZINC000341865586 216131483 /nfs/dbraw/zinc/13/14/83/216131483.db2.gz HYWUQJXUBWJONC-UHFFFAOYSA-N -1 3 275.373 3.255 20 0 CGADHM CC(C)=CCOc1cccc(C(=O)Nc2ncccc2[O-])c1 ZINC000341888887 216140019 /nfs/dbraw/zinc/14/00/19/216140019.db2.gz NVKSATCCQSVFNZ-UHFFFAOYSA-N -1 3 298.342 3.385 20 0 CGADHM CC1=C(C(=O)N=c2cc(-c3ccccc3C)[n-][nH]2)CCC1 ZINC000342154204 216240347 /nfs/dbraw/zinc/24/03/47/216240347.db2.gz MMFDMGCVKCBDJV-UHFFFAOYSA-N -1 3 281.359 3.246 20 0 CGADHM O=C(Nc1ccc(F)c(C2CC2)c1)c1c([O-])cccc1O ZINC000439550410 238265596 /nfs/dbraw/zinc/26/55/96/238265596.db2.gz PAVYAWSNPTVEPZ-UHFFFAOYSA-N -1 3 287.290 3.367 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)c2cc(C3CC3)on2)c1[O-] ZINC000179804316 189221196 /nfs/dbraw/zinc/22/11/96/189221196.db2.gz KOSBKASVMJQLFU-UHFFFAOYSA-N -1 3 292.722 3.472 20 0 CGADHM O=C(/C=C/c1ccccc1Cl)[N-]OCCC(F)(F)F ZINC000275079782 192905288 /nfs/dbraw/zinc/90/52/88/192905288.db2.gz NGURBYQHWIGQPU-AATRIKPKSA-N -1 3 293.672 3.353 20 0 CGADHM CCc1cc(=O)[n-]c(-c2ccc(NCCC3CC3)nc2)n1 ZINC000301417045 201002493 /nfs/dbraw/zinc/00/24/93/201002493.db2.gz BIIDZXGFLRTJDC-UHFFFAOYSA-N -1 3 284.363 3.019 20 0 CGADHM CCS[C@H]1CCC[C@H](NC(=O)c2cccc([O-])c2)C1 ZINC000182559415 189327750 /nfs/dbraw/zinc/32/77/50/189327750.db2.gz MAOMBWQBGKJBMU-JSGCOSHPSA-N -1 3 279.405 3.186 20 0 CGADHM CCS[C@@H]1CCC[C@H](NC(=O)c2cccc([O-])c2)C1 ZINC000182559393 189327846 /nfs/dbraw/zinc/32/78/46/189327846.db2.gz MAOMBWQBGKJBMU-GXTWGEPZSA-N -1 3 279.405 3.186 20 0 CGADHM CCO[N-]C(=O)Nc1cccc(Cl)c1OC(C)C ZINC000182986337 189341704 /nfs/dbraw/zinc/34/17/04/189341704.db2.gz RVXJUAFXGGVHQP-UHFFFAOYSA-N -1 3 272.732 3.200 20 0 CGADHM Cc1cccc([O-])c1NC(=O)c1cc2c(s1)CCOC2 ZINC000183072562 189345710 /nfs/dbraw/zinc/34/57/10/189345710.db2.gz AAYKWRQQPCADTM-UHFFFAOYSA-N -1 3 289.356 3.087 20 0 CGADHM Cc1cc([C@H](C)NC(=O)Cc2ccc([O-])c(F)c2)c(C)o1 ZINC000448809014 239057593 /nfs/dbraw/zinc/05/75/93/239057593.db2.gz HFRBNVUSAJIDFY-JTQLQIEISA-N -1 3 291.322 3.161 20 0 CGADHM C[C@@H]1CC[C@@H](NC(=O)Cc2ccc([O-])c(F)c2)[C@H](C)C1 ZINC000448979415 239102740 /nfs/dbraw/zinc/10/27/40/239102740.db2.gz IDCWIPFBDREDAS-JTNHKYCSSA-N -1 3 279.355 3.015 20 0 CGADHM C[C@@H]1CC[C@@H](NC(=O)Cc2ccc([O-])c(F)c2)[C@@H](C)C1 ZINC000448979417 239102883 /nfs/dbraw/zinc/10/28/83/239102883.db2.gz IDCWIPFBDREDAS-UHIISALHSA-N -1 3 279.355 3.015 20 0 CGADHM Cc1nc2c(s1)[C@H]([N-]c1nc(C(C)C)no1)CCC2 ZINC000302008916 201297340 /nfs/dbraw/zinc/29/73/40/201297340.db2.gz BPNGLINURQTMAT-SNVBAGLBSA-N -1 3 278.381 3.447 20 0 CGADHM O=c1[n-]nc(C2CCN(CC/C=C/c3ccccc3)CC2)o1 ZINC000450927986 240154492 /nfs/dbraw/zinc/15/44/92/240154492.db2.gz QHXJHBVODYMDJY-XBXARRHUSA-N -1 3 299.374 3.058 20 0 CGADHM FC(F)(F)c1c[n-]c(=NC[C@@H]2C[C@H]2C2CC2)s1 ZINC000450922682 240155020 /nfs/dbraw/zinc/15/50/20/240155020.db2.gz AOEOZWDLQLZGHH-YUMQZZPRSA-N -1 3 262.300 3.042 20 0 CGADHM O=C(CCc1ccc2ccccc2c1[O-])N1CCCCCO1 ZINC000451109997 240219670 /nfs/dbraw/zinc/21/96/70/240219670.db2.gz POEDFPQSNCWBGN-UHFFFAOYSA-N -1 3 299.370 3.422 20 0 CGADHM O=C(CCc1ccc2ccccc2c1[O-])N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC000451266607 240261357 /nfs/dbraw/zinc/26/13/57/240261357.db2.gz MUPZLQDSSAKIAJ-ALXJQNPVSA-N -1 3 295.382 3.393 20 0 CGADHM C[C@@H]1CCC[C@H](CNC(=O)Cc2ccc([O-])c(F)c2)[C@H]1C ZINC000451370000 240285838 /nfs/dbraw/zinc/28/58/38/240285838.db2.gz BCSZIOYNBBTQDW-MBNYWOFBSA-N -1 3 293.382 3.262 20 0 CGADHM CCC1([N-]S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000451717511 240348031 /nfs/dbraw/zinc/34/80/31/240348031.db2.gz VJULSGNTONFUDP-UHFFFAOYSA-N -1 3 294.203 3.214 20 0 CGADHM Cc1cc(C(=O)N2CCCc3ccccc3CC2)ccc1[O-] ZINC000456309532 241398821 /nfs/dbraw/zinc/39/88/21/241398821.db2.gz IDWBNCPXBOKSBM-UHFFFAOYSA-N -1 3 295.382 3.332 20 0 CGADHM Cc1ccsc1CN(C)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459296071 242059933 /nfs/dbraw/zinc/05/99/33/242059933.db2.gz MUQVGZPESHJDGP-UHFFFAOYSA-N -1 3 289.404 3.062 20 0 CGADHM CCN(Cc1cc(=O)[n-]c(C2CC2)n1)Cc1ccccc1C ZINC000459315483 242067606 /nfs/dbraw/zinc/06/76/06/242067606.db2.gz XABWUYFEMAUSHA-UHFFFAOYSA-N -1 3 297.402 3.390 20 0 CGADHM CCOc1cc(CN2CC[C@](C)(F)C2)cc(Cl)c1[O-] ZINC000459355516 242087788 /nfs/dbraw/zinc/08/77/88/242087788.db2.gz JXWWXSCXZZVKDX-AWEZNQCLSA-N -1 3 287.762 3.378 20 0 CGADHM C[C@@H]1[C@@H](C(=O)Nc2cc(C(F)(F)F)ccc2[O-])C1(F)F ZINC000461456422 242306362 /nfs/dbraw/zinc/30/63/62/242306362.db2.gz MYGPIRXVVZMBLY-ANLVUFKYSA-N -1 3 295.207 3.251 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2C[C@H](C)C[C@H](C)[C@H]2C)c1 ZINC000476543633 243016010 /nfs/dbraw/zinc/01/60/10/243016010.db2.gz LGTIVENIRUYXOP-FRRDWIJNSA-N -1 3 275.392 3.461 20 0 CGADHM O=C(N[C@@H]1CCCc2ccccc21)c1cccc([O-])c1 ZINC000055379254 284042490 /nfs/dbraw/zinc/04/24/90/284042490.db2.gz BOAFAGNEIRNBSQ-MRXNPFEDSA-N -1 3 267.328 3.200 20 0 CGADHM Cc1cc([N-]S(=O)(=O)c2ccc(F)cc2C)ccc1F ZINC000485106883 243326486 /nfs/dbraw/zinc/32/64/86/243326486.db2.gz UCFQLBKDEIOGLH-UHFFFAOYSA-N -1 3 297.326 3.382 20 0 CGADHM CCc1cc(C(=O)Nc2cccc(C(C)=O)c2)ccc1[O-] ZINC000485406497 243333371 /nfs/dbraw/zinc/33/33/71/243333371.db2.gz CFYBDUQFGIPIDE-UHFFFAOYSA-N -1 3 283.327 3.410 20 0 CGADHM CCc1cc(C(=O)NC2(C)CCCCC2)ccc1[O-] ZINC000485889284 243348144 /nfs/dbraw/zinc/34/81/44/243348144.db2.gz PASJBZLAEQZVSF-UHFFFAOYSA-N -1 3 261.365 3.407 20 0 CGADHM Cc1cc([N-]C(=O)[C@H](C)Nc2cccc(C)c2C)on1 ZINC000010946028 368587577 /nfs/dbraw/zinc/58/75/77/368587577.db2.gz NZCXZKPAEBJGDU-LBPRGKRZSA-N -1 3 273.336 3.039 20 0 CGADHM Cc1ccc(NC(=O)CCOc2ccccc2)c([O-])c1 ZINC000015922833 368704209 /nfs/dbraw/zinc/70/42/09/368704209.db2.gz MVOVZDJBJBVIPS-UHFFFAOYSA-N -1 3 271.316 3.108 20 0 CGADHM O=C(Nc1ccccc1[O-])c1ccc(Cl)c(F)c1 ZINC000125679641 370940201 /nfs/dbraw/zinc/94/02/01/370940201.db2.gz QFSDYUJCSUKRNI-UHFFFAOYSA-N -1 3 265.671 3.437 20 0 CGADHM O=C([O-])[C@H](NCc1cccc(Cl)c1)c1ccccc1 ZINC000019787874 368765756 /nfs/dbraw/zinc/76/57/56/368765756.db2.gz FLQUKKMSOZDYFP-CQSZACIVSA-N -1 3 275.735 3.256 20 0 CGADHM COc1cccc(C(=O)Nc2cc(F)ccc2C)c1[O-] ZINC000019839829 368771255 /nfs/dbraw/zinc/77/12/55/368771255.db2.gz YWOSOJXNWJKUCR-UHFFFAOYSA-N -1 3 275.279 3.101 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)/C=C/c1ccc2ccccc2n1 ZINC000492800789 244027182 /nfs/dbraw/zinc/02/71/82/244027182.db2.gz NTEGYMZOYIIXEO-NHAQELONSA-N -1 3 284.359 3.342 20 0 CGADHM Cc1cccc(CN(C)C(=O)/C=C/c2cncc([O-])c2)c1C ZINC000492990182 244069070 /nfs/dbraw/zinc/06/90/70/244069070.db2.gz GEUWDABDTXTJKB-BQYQJAHWSA-N -1 3 296.370 3.076 20 0 CGADHM Cc1ccc([O-])c(NC(=O)/C=C\SCc2ccco2)n1 ZINC000493064637 244090389 /nfs/dbraw/zinc/09/03/89/244090389.db2.gz SNKWNNZEFJEAJY-VURMDHGXSA-N -1 3 290.344 3.074 20 0 CGADHM C[C@@H]1C[C@@H]1c1ccc(/C=C\C(=O)[N-]OC/C=C/Cl)o1 ZINC000493289498 244134022 /nfs/dbraw/zinc/13/40/22/244134022.db2.gz JZJSKTNBOSSIOE-MQRWLRKOSA-N -1 3 281.739 3.217 20 0 CGADHM O=C(/C=C\c1nc2ccccc2s1)[N-]OCCC1CC1 ZINC000493174143 244111742 /nfs/dbraw/zinc/11/17/42/244111742.db2.gz XBFQBUGESVEIBB-FPLPWBNLSA-N -1 3 288.372 3.157 20 0 CGADHM O=C(/C=C/c1ccc2ccccc2n1)[N-]OC/C=C/Cl ZINC000493217993 244119756 /nfs/dbraw/zinc/11/97/56/244119756.db2.gz KIVAKBAJJANYSG-UTDLVPNFSA-N -1 3 288.734 3.048 20 0 CGADHM O=C(/C=C/c1cc2ccccc2o1)[N-]OC1CCC1 ZINC000493364551 244150083 /nfs/dbraw/zinc/15/00/83/244150083.db2.gz GQSCDRNNQQFPQJ-CMDGGOBGSA-N -1 3 257.289 3.046 20 0 CGADHM O=C(Nc1ncccc1[O-])[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000044948983 369272408 /nfs/dbraw/zinc/27/24/08/369272408.db2.gz XQXXRVFHJAGAPA-DTWKUNHWSA-N -1 3 288.269 3.094 20 0 CGADHM Cc1cc(C(=O)[N-]c2ncc(-c3ccccc3)s2)on1 ZINC000047542616 369319534 /nfs/dbraw/zinc/31/95/34/369319534.db2.gz AJRNFLBLAXNJGG-UHFFFAOYSA-N -1 3 285.328 3.359 20 0 CGADHM Cc1ccc(C(=O)N2CC[C@H](c3ccccc3)C2)c([O-])c1 ZINC000050273059 369434997 /nfs/dbraw/zinc/43/49/97/369434997.db2.gz GGXUKEMWPTZOHC-HNNXBMFYSA-N -1 3 281.355 3.330 20 0 CGADHM Cc1cccc(CN[C@@H](C(=O)[O-])c2ccccc2)c1C ZINC000050510268 369439932 /nfs/dbraw/zinc/43/99/32/369439932.db2.gz GXQCLKHXQCREAP-MRXNPFEDSA-N -1 3 269.344 3.219 20 0 CGADHM CCCc1nnc([N-]C(=O)c2csc(Cl)c2)s1 ZINC000276106766 193215850 /nfs/dbraw/zinc/21/58/50/193215850.db2.gz HCVXQRZTKGZVKB-UHFFFAOYSA-N -1 3 287.797 3.458 20 0 CGADHM COc1csc(C(=O)N2CCCc3cccc([O-])c32)c1 ZINC000128847857 370965688 /nfs/dbraw/zinc/96/56/88/370965688.db2.gz LKKHKZXHTQTUHM-UHFFFAOYSA-N -1 3 289.356 3.055 20 0 CGADHM CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc([O-])c(OC)c1 ZINC000276238220 193252940 /nfs/dbraw/zinc/25/29/40/193252940.db2.gz UFLUILRNQSFWFK-AAEUAGOBSA-N -1 3 277.364 3.099 20 0 CGADHM O=C(CCC(=O)c1ccc(F)cc1)Nc1ccccc1[O-] ZINC000057026292 369529719 /nfs/dbraw/zinc/52/97/19/369529719.db2.gz LAJYKYLBUZRCFX-UHFFFAOYSA-N -1 3 287.290 3.133 20 0 CGADHM COc1ccc(CN[C@H](CC(=O)[O-])c2ccsc2)cc1 ZINC000276360372 193300378 /nfs/dbraw/zinc/30/03/78/193300378.db2.gz ADUUTZUROAVFPO-CQSZACIVSA-N -1 3 291.372 3.062 20 0 CGADHM O=C(CC1CCCC1)N1CCCc2cccc([O-])c21 ZINC000063063756 369637911 /nfs/dbraw/zinc/63/79/11/369637911.db2.gz DARHABVEZHNYGO-UHFFFAOYSA-N -1 3 259.349 3.252 20 0 CGADHM O=C(CC[C@@H]1CCCCO1)N1CCCc2cccc([O-])c21 ZINC000069397547 369759203 /nfs/dbraw/zinc/75/92/03/369759203.db2.gz NGMMQTOBOHNNEF-AWEZNQCLSA-N -1 3 289.375 3.021 20 0 CGADHM [O-]C(=NOC1CCCC1)Nc1ccc(Cl)cc1 ZINC000074581748 369883249 /nfs/dbraw/zinc/88/32/49/369883249.db2.gz GMQALVHJSGSSPK-UHFFFAOYSA-N -1 3 254.717 3.336 20 0 CGADHM O=C([N-]OC1CCCC1)Nc1ccc(Cl)cc1 ZINC000074581748 369883254 /nfs/dbraw/zinc/88/32/54/369883254.db2.gz GMQALVHJSGSSPK-UHFFFAOYSA-N -1 3 254.717 3.336 20 0 CGADHM CC[C@]1(C)CCCN(C(=O)c2ccc(OC)cc2[O-])C1 ZINC000075213369 369899479 /nfs/dbraw/zinc/89/94/79/369899479.db2.gz PVJWEOBPWMDBNZ-MRXNPFEDSA-N -1 3 277.364 3.053 20 0 CGADHM O=C([N-]O[C@@H]1CCCCO1)c1c(Cl)cccc1Cl ZINC000081623246 369998003 /nfs/dbraw/zinc/99/80/03/369998003.db2.gz NAKSHXWLEUPXQR-SNVBAGLBSA-N -1 3 290.146 3.181 20 0 CGADHM Cc1ccc([O-])c(CNC2(c3ccccc3F)CC2)n1 ZINC000130526942 371040976 /nfs/dbraw/zinc/04/09/76/371040976.db2.gz IJIAPOCCZQAOKV-UHFFFAOYSA-N -1 3 272.323 3.014 20 0 CGADHM Cc1ccc([O-])c(-c2nc([C@@H]3CCO[C@H](C)C3)no2)c1 ZINC000331643455 204037898 /nfs/dbraw/zinc/03/78/98/204037898.db2.gz JYQXOUZSVWLOPV-GHMZBOCLSA-N -1 3 274.320 3.033 20 0 CGADHM CCCn1c(=O)[n-]nc1S[C@@H]1CCc2ccc(F)cc21 ZINC000331638207 204032351 /nfs/dbraw/zinc/03/23/51/204032351.db2.gz SQLGMDACUFPTQJ-GFCCVEGCSA-N -1 3 293.367 3.312 20 0 CGADHM O=C([O-])[C@H]1CCCCN1Cc1cccc(C(F)F)c1 ZINC000132278974 371164466 /nfs/dbraw/zinc/16/44/66/371164466.db2.gz JWXNAUPLFNENOJ-GFCCVEGCSA-N -1 3 269.291 3.063 20 0 CGADHM CCC(C)(C)[C@@H]1CCCN1C(=O)c1cc(OC)ccc1[O-] ZINC000133696039 371272720 /nfs/dbraw/zinc/27/27/20/371272720.db2.gz ZOAOZGNARLVPLB-HNNXBMFYSA-N -1 3 291.391 3.442 20 0 CGADHM C[C@H](C(=O)Nc1ccc([O-])c(C(F)(F)F)c1)C1CC1 ZINC000134224747 371312865 /nfs/dbraw/zinc/31/28/65/371312865.db2.gz XRYMJHOMCVEYER-ZETCQYMHSA-N -1 3 273.254 3.396 20 0 CGADHM Cc1[nH]c2ccccc2c1CC(=O)[N-]OC1CCCC1 ZINC000135136082 371393269 /nfs/dbraw/zinc/39/32/69/371393269.db2.gz WKRILUDOZGFNQK-UHFFFAOYSA-N -1 3 272.348 3.009 20 0 CGADHM O=C(Nc1ncccc1[O-])c1cncc(-c2ccccc2)c1 ZINC000135629694 371439755 /nfs/dbraw/zinc/43/97/55/371439755.db2.gz YJQZYSAOUFYOFG-UHFFFAOYSA-N -1 3 291.310 3.102 20 0 CGADHM O=C(Nc1cc(C(F)(F)F)ccc1[O-])c1ccncc1 ZINC000078490867 284274621 /nfs/dbraw/zinc/27/46/21/284274621.db2.gz IBCJAOKVKNRSDE-UHFFFAOYSA-N -1 3 282.221 3.058 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000421786297 371633048 /nfs/dbraw/zinc/63/30/48/371633048.db2.gz QAXJDFXMAYKJKT-OPRDCNLKSA-N -1 3 265.740 3.420 20 0 CGADHM Cc1ccc(C(=O)NCCCCc2ccccc2)c([O-])c1 ZINC000028836475 541857351 /nfs/dbraw/zinc/85/73/51/541857351.db2.gz WWZNRHBXCVHLGB-UHFFFAOYSA-N -1 3 283.371 3.453 20 0 CGADHM Cc1ccc(C(=O)Nc2ccc([O-])c(COC(C)C)c2)o1 ZINC000290595339 372024852 /nfs/dbraw/zinc/02/48/52/372024852.db2.gz MSLWOFXXTPDJHI-UHFFFAOYSA-N -1 3 289.331 3.471 20 0 CGADHM CC1(C)C[C@@H]1C(=O)Nc1cc(Br)ccc1[O-] ZINC000157251177 372012353 /nfs/dbraw/zinc/01/23/53/372012353.db2.gz IGCBQQLMTGVSKN-MRVPVSSYSA-N -1 3 284.153 3.139 20 0 CGADHM C[C@H]1CC(CCNCc2c(F)ccc([O-])c2F)C[C@H](C)O1 ZINC000353361164 220042494 /nfs/dbraw/zinc/04/24/94/220042494.db2.gz QYLAARPKFDSKBF-QWRGUYRKSA-N -1 3 299.361 3.354 20 0 CGADHM COc1ccc(N(C)C(=O)c2cccc(C)c2[O-])cc1F ZINC000159326742 372132770 /nfs/dbraw/zinc/13/27/70/372132770.db2.gz HGPMAJSHAWTTNC-UHFFFAOYSA-N -1 3 289.306 3.125 20 0 CGADHM Cc1cc(C(=O)Nc2cc3c(cn2)CCCC3)ccc1[O-] ZINC000428596754 372237658 /nfs/dbraw/zinc/23/76/58/372237658.db2.gz PROQJUQBLLXEOJ-UHFFFAOYSA-N -1 3 282.343 3.227 20 0 CGADHM O=C(Cc1c[nH]c2cccc(Cl)c12)[N-]OC1CCCC1 ZINC000292985333 372268932 /nfs/dbraw/zinc/26/89/32/372268932.db2.gz JOQZPHXWFDXNOV-UHFFFAOYSA-N -1 3 292.766 3.354 20 0 CGADHM Cc1ccc(-c2nc(-c3cn(C)nc3C(C)C)no2)c([O-])c1 ZINC000293026519 372282756 /nfs/dbraw/zinc/28/27/56/372282756.db2.gz NGAXGKPXRVKTMJ-UHFFFAOYSA-N -1 3 298.346 3.275 20 0 CGADHM COC[C@H](C)c1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000293395512 372373536 /nfs/dbraw/zinc/37/35/36/372373536.db2.gz JSVUPVXXZRNHFY-JTQLQIEISA-N -1 3 284.315 3.345 20 0 CGADHM CO[C@@H](c1noc(/C=C/c2cccc([O-])c2)n1)C1CC1 ZINC000293480215 372392448 /nfs/dbraw/zinc/39/24/48/372392448.db2.gz STIHJVQXSLMKCL-LHRNQBEKSA-N -1 3 272.304 3.043 20 0 CGADHM CCCN(C(=O)c1c[n-]c2c(C)cccc2c1=O)C1CC1 ZINC000163200775 372453456 /nfs/dbraw/zinc/45/34/56/372453456.db2.gz SIENGDCIMHCJAB-UHFFFAOYSA-N -1 3 284.359 3.263 20 0 CGADHM CC(C)c1ccc(NC(=O)c2cc(F)cc3[n-]nnc32)cc1 ZINC000431601103 372489293 /nfs/dbraw/zinc/48/92/93/372489293.db2.gz RQCFZRYKPJASHX-UHFFFAOYSA-N -1 3 298.321 3.473 20 0 CGADHM CC(C)c1ccc(NC(=O)c2cc(F)cc3nn[n-]c32)cc1 ZINC000431601103 372489298 /nfs/dbraw/zinc/48/92/98/372489298.db2.gz RQCFZRYKPJASHX-UHFFFAOYSA-N -1 3 298.321 3.473 20 0 CGADHM CC(C)c1ccc(NC(=O)c2cc(F)cc3n[n-]nc32)cc1 ZINC000431601103 372489303 /nfs/dbraw/zinc/48/93/03/372489303.db2.gz RQCFZRYKPJASHX-UHFFFAOYSA-N -1 3 298.321 3.473 20 0 CGADHM CC1(C)CN(Cc2cccc([O-])c2Cl)[C@H]1[C@H]1CCCO1 ZINC000293828703 372493708 /nfs/dbraw/zinc/49/37/08/372493708.db2.gz GKBFCUPXYUZMNS-HIFRSBDPSA-N -1 3 295.810 3.435 20 0 CGADHM Cc1cc(C)c2[n-]cc(C(=O)N3CCC(C)(C)C3)c(=O)c2c1 ZINC000164254804 372513445 /nfs/dbraw/zinc/51/34/45/372513445.db2.gz XYNTUYXZRXXFPB-UHFFFAOYSA-N -1 3 298.386 3.429 20 0 CGADHM CC(C)[C@H]1N(C(=O)c2c[n-]c3ccccc3c2=O)CC1(C)C ZINC000293916634 372522927 /nfs/dbraw/zinc/52/29/27/372522927.db2.gz MSCWCPQETUEKSP-MRXNPFEDSA-N -1 3 298.386 3.447 20 0 CGADHM CCC[C@@]1(CO)CCN(Cc2cccc([O-])c2Cl)C1 ZINC000293939611 372531364 /nfs/dbraw/zinc/53/13/64/372531364.db2.gz OEMDCIAMVDAPNJ-OAHLLOKOSA-N -1 3 283.799 3.030 20 0 CGADHM Cc1ccc(C(=O)N2CC(C)(C)[C@H]2c2ccncc2)c([O-])c1 ZINC000294040438 372563114 /nfs/dbraw/zinc/56/31/14/372563114.db2.gz VDAAVDIUJPGDQO-MRXNPFEDSA-N -1 3 296.370 3.319 20 0 CGADHM CC[C@@H](CSC)N(C)Cc1cc(C(=O)[O-])sc1C ZINC000167731964 372601974 /nfs/dbraw/zinc/60/19/74/372601974.db2.gz PIMPFSWQCCUEGQ-NSHDSACASA-N -1 3 287.450 3.328 20 0 CGADHM O=C(CCc1ccc2ccccc2c1[O-])N1CCCCC1 ZINC000294199080 372610838 /nfs/dbraw/zinc/61/08/38/372610838.db2.gz HFIYMBJDQKRMIS-UHFFFAOYSA-N -1 3 283.371 3.491 20 0 CGADHM CC(C)NC(=O)CCc1ccc2ccccc2c1[O-] ZINC000294202188 372612385 /nfs/dbraw/zinc/61/23/85/372612385.db2.gz HTWPHGCADXPCBM-UHFFFAOYSA-N -1 3 257.333 3.003 20 0 CGADHM COC(=O)c1[n-]c(=N[C@@H]2CC[C@@H]3CCC[C@H]3C2)sc1C ZINC000433765347 372627134 /nfs/dbraw/zinc/62/71/34/372627134.db2.gz KMQMGUOOSWECPI-SDDRHHMPSA-N -1 3 294.420 3.041 20 0 CGADHM CC1(C)CCC[C@H]1CNC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000294294333 372641259 /nfs/dbraw/zinc/64/12/59/372641259.db2.gz WMMPYMILJNJRFA-LBPRGKRZSA-N -1 3 298.386 3.497 20 0 CGADHM Cc1c(Cl)cncc1[N-]S(=O)(=O)CCC(C)(C)C ZINC000295255902 372719140 /nfs/dbraw/zinc/71/91/40/372719140.db2.gz XJXZQMUWEVDNGZ-UHFFFAOYSA-N -1 3 290.816 3.221 20 0 CGADHM COc1cccc(C(=O)Nc2cccc3[nH]ccc32)c1[O-] ZINC000171274480 372733487 /nfs/dbraw/zinc/73/34/87/372733487.db2.gz CJKYUWNRIPYNAC-UHFFFAOYSA-N -1 3 282.299 3.134 20 0 CGADHM COc1ccc(CN(C(=O)c2cccc([O-])c2)C2CC2)cc1 ZINC000171347288 372742243 /nfs/dbraw/zinc/74/22/43/372742243.db2.gz GHZKYQVPZMJRKM-UHFFFAOYSA-N -1 3 297.354 3.206 20 0 CGADHM CC(F)(F)CC[N-]C(=O)C(F)(F)c1c(F)cccc1F ZINC000295417627 372774510 /nfs/dbraw/zinc/77/45/10/372774510.db2.gz CLXMGIYEVOBGOJ-UHFFFAOYSA-N -1 3 299.214 3.218 20 0 CGADHM COc1ccc(C(=O)Nc2ncccc2[O-])c2ccccc12 ZINC000171969582 372870665 /nfs/dbraw/zinc/87/06/65/372870665.db2.gz CPDJZLJBCZTDML-UHFFFAOYSA-N -1 3 294.310 3.201 20 0 CGADHM Cc1ccc(-c2nc([C@H]3CCOC[C@H]3C)no2)c([O-])c1C ZINC000442686870 373064628 /nfs/dbraw/zinc/06/46/28/373064628.db2.gz LXTAASSZVLSYOO-PWSUYJOCSA-N -1 3 288.347 3.199 20 0 CGADHM CC(C)ON=C([O-])Nc1ccc2nc(C3CC3)oc2c1 ZINC000296546894 373172613 /nfs/dbraw/zinc/17/26/13/373172613.db2.gz GRFMKSRZHWYSBD-UHFFFAOYSA-N -1 3 275.308 3.167 20 0 CGADHM CC(C)O[N-]C(=O)Nc1ccc2nc(C3CC3)oc2c1 ZINC000296546894 373172617 /nfs/dbraw/zinc/17/26/17/373172617.db2.gz GRFMKSRZHWYSBD-UHFFFAOYSA-N -1 3 275.308 3.167 20 0 CGADHM COc1cc(C(=O)N2CCCCC(C)(C)C2)ccc1[O-] ZINC000442935882 373131097 /nfs/dbraw/zinc/13/10/97/373131097.db2.gz PWYMHSMAQWNWIK-UHFFFAOYSA-N -1 3 277.364 3.053 20 0 CGADHM CCCC[C@@H](NC(=O)c1ccc([O-])c(OC)c1)C1CCC1 ZINC000443048117 373143963 /nfs/dbraw/zinc/14/39/63/373143963.db2.gz IYRLZDKZGSTTND-CQSZACIVSA-N -1 3 291.391 3.490 20 0 CGADHM COc1cc(C(=O)NCC2CCC(C)(C)CC2)ccc1[O-] ZINC000443054381 373146759 /nfs/dbraw/zinc/14/67/59/373146759.db2.gz ULLPTCANFUSQSX-UHFFFAOYSA-N -1 3 291.391 3.347 20 0 CGADHM O=S(=O)([N-]c1ccccc1OCCF)C1=CCCCC1 ZINC000296723966 373229018 /nfs/dbraw/zinc/22/90/18/373229018.db2.gz NIEXCSHLLRDSDG-UHFFFAOYSA-N -1 3 299.367 3.235 20 0 CGADHM COCCCO[N-]C(=O)Nc1cc(C)cc2ccccc21 ZINC000296728103 373229739 /nfs/dbraw/zinc/22/97/39/373229739.db2.gz CVRMEOYVCGPLQY-UHFFFAOYSA-N -1 3 288.347 3.238 20 0 CGADHM COC(=O)c1c(C)csc1[N-]C(=O)c1ccc(Cl)o1 ZINC000344914428 217354787 /nfs/dbraw/zinc/35/47/87/217354787.db2.gz ZAMUTYCNPUXUCW-UHFFFAOYSA-N -1 3 299.735 3.342 20 0 CGADHM [O-]C(=NOC1CCCC1)Nc1ccc([C@H]2CCOC2)cc1 ZINC000296784315 373244177 /nfs/dbraw/zinc/24/41/77/373244177.db2.gz FHNMJUDNKDNKQU-ZDUSSCGKSA-N -1 3 290.363 3.186 20 0 CGADHM O=C([N-]OC1CCCC1)Nc1ccc([C@H]2CCOC2)cc1 ZINC000296784315 373244183 /nfs/dbraw/zinc/24/41/83/373244183.db2.gz FHNMJUDNKDNKQU-ZDUSSCGKSA-N -1 3 290.363 3.186 20 0 CGADHM CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1ccc(OC)cc1[O-] ZINC000175290204 373444238 /nfs/dbraw/zinc/44/42/38/373444238.db2.gz CBXHMMMZDSBDLM-SWLSCSKDSA-N -1 3 291.391 3.442 20 0 CGADHM C[C@H]1CC[C@H](CCC(=O)Nc2cc(Cl)ccc2[O-])O1 ZINC000175613535 373492641 /nfs/dbraw/zinc/49/26/41/373492641.db2.gz ZSUKJXATQKPVFS-GXSJLCMTSA-N -1 3 283.755 3.332 20 0 CGADHM CC(C)[C@H]1CCCN1C(=O)c1c[n-]c2ccccc2c1=O ZINC000299291158 373497684 /nfs/dbraw/zinc/49/76/84/373497684.db2.gz PRGPJIWRFUVDNI-OAHLLOKOSA-N -1 3 284.359 3.201 20 0 CGADHM COc1ccc(Cl)cc1CN1CCC[C@H](C)[C@H]1C(=O)[O-] ZINC000300294302 373623554 /nfs/dbraw/zinc/62/35/54/373623554.db2.gz JAEIVTUUMGLVPV-HZMBPMFUSA-N -1 3 297.782 3.034 20 0 CGADHM Cc1cc(C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)ccc1[O-] ZINC000300416134 373633009 /nfs/dbraw/zinc/63/30/09/373633009.db2.gz KORJQNHDWKUITQ-MPKXVKKWSA-N -1 3 261.365 3.255 20 0 CGADHM [O-]c1cccc(CN2CCC[C@@H]2[C@H]2CCC[C@H]2O)c1Cl ZINC000449470679 373755217 /nfs/dbraw/zinc/75/52/17/373755217.db2.gz NWQXOYPWPZJDCQ-MGPQQGTHSA-N -1 3 295.810 3.171 20 0 CGADHM CCc1ccc([O-])c(C(=O)N(Cc2cccnc2)C2CC2)c1 ZINC000179375930 373865085 /nfs/dbraw/zinc/86/50/85/373865085.db2.gz IEPGULCIXRBPMA-UHFFFAOYSA-N -1 3 296.370 3.154 20 0 CGADHM CC[C@@H](C)Oc1cc(C(=O)Nc2ccccc2[O-])ccn1 ZINC000180146993 373970541 /nfs/dbraw/zinc/97/05/41/373970541.db2.gz SIRDDEKMJXNGHN-LLVKDONJSA-N -1 3 286.331 3.217 20 0 CGADHM CC[C@@H](Sc1ccccc1)C(=O)Nc1ncccc1[O-] ZINC000181002377 374068312 /nfs/dbraw/zinc/06/83/12/374068312.db2.gz GUFBKSHQODWVPK-CYBMUJFWSA-N -1 3 288.372 3.297 20 0 CGADHM Cc1cccc(S(=O)(=O)[N-][C@@H](C)c2cccs2)c1F ZINC000181185570 374090954 /nfs/dbraw/zinc/09/09/54/374090954.db2.gz YUVFYLASCRUVHV-JTQLQIEISA-N -1 3 299.392 3.235 20 0 CGADHM CCc1cc(=O)[n-]c(CN[C@@H](C)C(C)(C)c2ccccc2)n1 ZINC000181776698 374169942 /nfs/dbraw/zinc/16/99/42/374169942.db2.gz XMGHILOTXFDYDP-ZDUSSCGKSA-N -1 3 299.418 3.201 20 0 CGADHM Cc1ccc(NC(=O)[C@H]2CCC(F)(F)C2)c([O-])c1 ZINC000310415381 374216412 /nfs/dbraw/zinc/21/64/12/374216412.db2.gz XYVXZHKHWSUTCE-VIFPVBQESA-N -1 3 255.264 3.075 20 0 CGADHM CN(C)c1c(Cl)cccc1NC(=O)c1cccc([O-])c1 ZINC000182111346 374221140 /nfs/dbraw/zinc/22/11/40/374221140.db2.gz WVAZJTUCQWIFJH-UHFFFAOYSA-N -1 3 290.750 3.364 20 0 CGADHM O=C(NC[C@H](c1ccccc1)C1CC1)c1c([O-])cccc1O ZINC000452160700 374258127 /nfs/dbraw/zinc/25/81/27/374258127.db2.gz MTNSYBMLFXZBJL-CQSZACIVSA-N -1 3 297.354 3.021 20 0 CGADHM COc1ccc([O-])c(C(=O)N(C)[C@H]2CCc3ccccc32)c1 ZINC000078685035 541917219 /nfs/dbraw/zinc/91/72/19/541917219.db2.gz TYGXKBICBWZNMI-INIZCTEOSA-N -1 3 297.354 3.160 20 0 CGADHM C[C@@H](NCC1CCCCC1)c1ncc(C(=O)[O-])s1 ZINC000315338575 374328261 /nfs/dbraw/zinc/32/82/61/374328261.db2.gz NWOZCHQNMMGNPZ-SECBINFHSA-N -1 3 268.382 3.072 20 0 CGADHM CCc1ccc(NC(=O)c2cccc([O-])c2)cc1F ZINC000182893420 374339048 /nfs/dbraw/zinc/33/90/48/374339048.db2.gz OXXJGYFXNMULDU-UHFFFAOYSA-N -1 3 259.280 3.346 20 0 CGADHM CC(C)c1ccc(C(=O)Nc2nnc(-c3ccco3)[n-]2)cc1 ZINC000078868622 541918523 /nfs/dbraw/zinc/91/85/23/541918523.db2.gz ZTLMSGWEVHDAID-UHFFFAOYSA-N -1 3 296.330 3.440 20 0 CGADHM CC(C)c1ccc(C(=O)Nc2nc(-c3ccco3)n[n-]2)cc1 ZINC000078868622 541918529 /nfs/dbraw/zinc/91/85/29/541918529.db2.gz ZTLMSGWEVHDAID-UHFFFAOYSA-N -1 3 296.330 3.440 20 0 CGADHM CC(C)c1ccc(C(=O)Nc2n[n-]c(-c3ccco3)n2)cc1 ZINC000078868622 541918534 /nfs/dbraw/zinc/91/85/34/541918534.db2.gz ZTLMSGWEVHDAID-UHFFFAOYSA-N -1 3 296.330 3.440 20 0 CGADHM Cc1cccc([O-])c1NC(=O)Cc1c(F)cccc1F ZINC000183033638 374357740 /nfs/dbraw/zinc/35/77/40/374357740.db2.gz BOVKBPBWAPVEEI-UHFFFAOYSA-N -1 3 277.270 3.160 20 0 CGADHM Cc1cccc([O-])c1NC(=O)c1cn(C)c2ccccc12 ZINC000183054135 374363216 /nfs/dbraw/zinc/36/32/16/374363216.db2.gz QXHLIDXONADZSF-UHFFFAOYSA-N -1 3 280.327 3.445 20 0 CGADHM CC[C@H](C)c1cc(C(=O)Nc2ccc([O-])cc2F)on1 ZINC000183285122 374397665 /nfs/dbraw/zinc/39/76/65/374397665.db2.gz WVVLIAGAMCQTET-QMMMGPOBSA-N -1 3 278.283 3.285 20 0 CGADHM Cc1ccc2c(c1)[C@@H](NC(=O)c1cccc([O-])c1)[C@H](C)C2 ZINC000183172634 374379611 /nfs/dbraw/zinc/37/96/11/374379611.db2.gz PJKZZXKBCXTESG-PXAZEXFGSA-N -1 3 281.355 3.364 20 0 CGADHM CCc1cc(NC(=O)c2ccc3n[n-]nc3c2)ccc1C ZINC000183200041 374383628 /nfs/dbraw/zinc/38/36/28/374383628.db2.gz FNORVRCJDOPGBF-UHFFFAOYSA-N -1 3 280.331 3.081 20 0 CGADHM COc1ccc(CN2CCC(CCC(=O)[O-])CC2)cc1C ZINC000086755950 541940124 /nfs/dbraw/zinc/94/01/24/541940124.db2.gz VRYNZHLUGTXMEK-UHFFFAOYSA-N -1 3 291.391 3.080 20 0 CGADHM COc1ccc(CN2CCCC[C@H]2CC(=O)[O-])cc1Cl ZINC000086775641 541941189 /nfs/dbraw/zinc/94/11/89/541941189.db2.gz UQAMBHAYZFVBHK-LBPRGKRZSA-N -1 3 297.782 3.178 20 0 CGADHM C[C@@H](c1ccccc1F)S(=O)(=O)c1cccc([O-])c1 ZINC000183976135 374479751 /nfs/dbraw/zinc/47/97/51/374479751.db2.gz KAEAJXFVMDASJL-JTQLQIEISA-N -1 3 280.320 3.066 20 0 CGADHM CC(C)c1nc(C[S@@](=O)c2cccc([O-])c2)cs1 ZINC000184063849 374488450 /nfs/dbraw/zinc/48/84/50/374488450.db2.gz USSXXUPFLFLTAN-GOSISDBHSA-N -1 3 281.402 3.280 20 0 CGADHM O=C(CCc1ccc(O)cc1)Nc1ccc(Cl)cc1[O-] ZINC000184083245 374490275 /nfs/dbraw/zinc/49/02/75/374490275.db2.gz VEQVKRRVAJJIKN-UHFFFAOYSA-N -1 3 291.734 3.323 20 0 CGADHM CC(C)[C@@H]1OCC[C@H]1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000331212970 374514381 /nfs/dbraw/zinc/51/43/81/374514381.db2.gz KSQFTNJRVAJFME-MFKMUULPSA-N -1 3 283.755 3.045 20 0 CGADHM CCC[C@H]1CCCN(C(=O)c2ccc(C(C)=O)c([O-])c2)C1 ZINC000331356955 374526535 /nfs/dbraw/zinc/52/65/35/374526535.db2.gz SOXKYSPCAXITLA-ZDUSSCGKSA-N -1 3 289.375 3.247 20 0 CGADHM CC(=O)c1ccc(C(=O)N(C)C[C@H]2CC=CCC2)cc1[O-] ZINC000331360819 374527730 /nfs/dbraw/zinc/52/77/30/374527730.db2.gz YGYFAIVAUYOQMR-ZDUSSCGKSA-N -1 3 287.359 3.023 20 0 CGADHM COc1cc(C)cc(-c2nc(-c3ccccc3)no2)c1[O-] ZINC000184825593 374562738 /nfs/dbraw/zinc/56/27/38/374562738.db2.gz FRYOUTOWUBSUSO-UHFFFAOYSA-N -1 3 282.299 3.426 20 0 CGADHM Cn1ccc(C(=O)Nc2cc(F)ccc2[O-])c1C1CCC1 ZINC000334220926 206212379 /nfs/dbraw/zinc/21/23/79/206212379.db2.gz WAVUABXYQLXHGQ-UHFFFAOYSA-N -1 3 288.322 3.390 20 0 CGADHM CC(C)c1ccc(C(=O)NCCC[C@@H]2CCOC2)c([O-])c1 ZINC000456767594 374616820 /nfs/dbraw/zinc/61/68/20/374616820.db2.gz NYXDGVPZCSZQMX-CYBMUJFWSA-N -1 3 291.391 3.062 20 0 CGADHM CCc1cc(C(=O)N[C@H](C)C2CCCC2)ccc1[O-] ZINC000456775278 374619927 /nfs/dbraw/zinc/61/99/27/374619927.db2.gz MARUOULFZWYBGG-LLVKDONJSA-N -1 3 261.365 3.263 20 0 CGADHM CC(=O)c1cc(F)c([N-]C(=O)c2scnc2C)c(F)c1 ZINC000334392879 374710385 /nfs/dbraw/zinc/71/03/85/374710385.db2.gz YRADOUREFSVOFY-UHFFFAOYSA-N -1 3 296.298 3.185 20 0 CGADHM [O-]c1cc(F)cc(CN2CCC[C@H]2c2ccco2)c1 ZINC000186223366 374815994 /nfs/dbraw/zinc/81/59/94/374815994.db2.gz UVJGLOBEARRQAA-AWEZNQCLSA-N -1 3 261.296 3.461 20 0 CGADHM CCc1cccc(C(=O)N2CC[C@@H]3CCCC[C@@H]32)c1[O-] ZINC000094078211 541984848 /nfs/dbraw/zinc/98/48/48/541984848.db2.gz CCWQGETURIPRKG-ZFWWWQNUSA-N -1 3 273.376 3.359 20 0 CGADHM C[C@H]1CC[C@@H](C(=O)[O-])CN1Cc1cc2cc(F)ccc2o1 ZINC000334587847 374888178 /nfs/dbraw/zinc/88/81/78/374888178.db2.gz QEVNMYXGZWAXRI-WDEREUQCSA-N -1 3 291.322 3.257 20 0 CGADHM C[C@@H](c1ccncc1)N(C)Cc1cc([O-])cc(F)c1 ZINC000186416039 374846985 /nfs/dbraw/zinc/84/69/85/374846985.db2.gz VWCHDXPKLJZLTH-NSHDSACASA-N -1 3 260.312 3.119 20 0 CGADHM CC(=O)[C@@H](C)CCCCC(=O)[N-]OCc1ccc(F)cc1 ZINC000186447407 374851837 /nfs/dbraw/zinc/85/18/37/374851837.db2.gz UFWOTDQOXPPUHQ-LBPRGKRZSA-N -1 3 295.354 3.159 20 0 CGADHM Cc1ccccc1[C@H]1CCCN1C(=O)c1csc(=O)[n-]1 ZINC000334629652 374922381 /nfs/dbraw/zinc/92/23/81/374922381.db2.gz CRXLIBSUACRRFX-CYBMUJFWSA-N -1 3 288.372 3.134 20 0 CGADHM CC(C)CNC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000186997115 374952927 /nfs/dbraw/zinc/95/29/27/374952927.db2.gz JDGQRGRCHXALSE-UHFFFAOYSA-N -1 3 297.354 3.009 20 0 CGADHM [O-]c1ccc(Cc2nc([C@@H]3CCC(F)(F)C3)no2)cc1F ZINC000334691674 374979411 /nfs/dbraw/zinc/97/94/11/374979411.db2.gz CLBGFXFZNIUWDF-SECBINFHSA-N -1 3 298.264 3.408 20 0 CGADHM C[C@H]1C[C@H](C(=O)[O-])CN(Cc2cc(F)ccc2Cl)C1 ZINC000335152981 375180087 /nfs/dbraw/zinc/18/00/87/375180087.db2.gz QNXFHGXLHRWWQW-ONGXEEELSA-N -1 3 285.746 3.022 20 0 CGADHM CCc1cc(C(=O)N2Cc3ccc(C)cc3C2)ccc1[O-] ZINC000487597298 375262337 /nfs/dbraw/zinc/26/23/37/375262337.db2.gz QUCLHSWNHRZNBR-UHFFFAOYSA-N -1 3 281.355 3.419 20 0 CGADHM COc1cc(NCc2nc(C)ccc2[O-])cc2cccnc21 ZINC000491559781 375331434 /nfs/dbraw/zinc/33/14/34/375331434.db2.gz MMGOXNFLMKXLCM-UHFFFAOYSA-N -1 3 295.342 3.265 20 0 CGADHM CCCC(C)(C)CC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000492083765 375413403 /nfs/dbraw/zinc/41/34/03/375413403.db2.gz PPJNORWFJCDXCF-UHFFFAOYSA-N -1 3 287.367 3.022 20 0 CGADHM CCCC(C)(C)CC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000492083765 375413414 /nfs/dbraw/zinc/41/34/14/375413414.db2.gz PPJNORWFJCDXCF-UHFFFAOYSA-N -1 3 287.367 3.022 20 0 CGADHM CC(=O)c1ccc(C(=O)Nc2c(C)cccc2[O-])c(F)c1 ZINC000335838436 375471287 /nfs/dbraw/zinc/47/12/87/375471287.db2.gz OIBUTSOIMABXHT-UHFFFAOYSA-N -1 3 287.290 3.295 20 0 CGADHM O=S(=O)([N-]Cc1ccc(C2CC2)cc1)c1cccs1 ZINC000190459104 375513561 /nfs/dbraw/zinc/51/35/61/375513561.db2.gz OOMNAGXEMYVVPW-UHFFFAOYSA-N -1 3 293.413 3.104 20 0 CGADHM Cc1ccc(C)c(C(=O)N=c2cc(-c3ccccc3)[n-][nH]2)c1 ZINC000497868366 375614232 /nfs/dbraw/zinc/61/42/32/375614232.db2.gz KZUWBTGTWUAYCW-UHFFFAOYSA-N -1 3 291.354 3.368 20 0 CGADHM Cc1cc(NC(=O)c2cc([O-])ccc2Cl)sn1 ZINC000336015895 375620705 /nfs/dbraw/zinc/62/07/05/375620705.db2.gz VVOCNFIIKUKHFM-UHFFFAOYSA-N -1 3 268.725 3.063 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N[C@@H](C)c2ccc(F)cc2F)n1 ZINC000192722326 375782128 /nfs/dbraw/zinc/78/21/28/375782128.db2.gz CKRIKBLSRQETAX-UWVGGRQHSA-N -1 3 293.317 3.181 20 0 CGADHM Cc1cc(F)c(C(=O)Nc2cccc([O-])c2F)cc1F ZINC000128442326 542052321 /nfs/dbraw/zinc/05/23/21/542052321.db2.gz YUXTYCBCJHVSGY-UHFFFAOYSA-N -1 3 281.233 3.370 20 0 CGADHM CSc1cc(C(=O)Nc2nc(C)ccc2[O-])ccc1F ZINC000345940173 217755521 /nfs/dbraw/zinc/75/55/21/217755521.db2.gz ZNWOLAQLDDAWPR-UHFFFAOYSA-N -1 3 292.335 3.209 20 0 CGADHM [O-]c1ccccc1-c1nc([C@H]2CCCOC2)cs1 ZINC000336550752 375826364 /nfs/dbraw/zinc/82/63/64/375826364.db2.gz TWYVMULJUYCBOO-JTQLQIEISA-N -1 3 261.346 3.410 20 0 CGADHM Cc1[nH]c2c(cccc2C(=O)Nc2nc(C)ccc2[O-])c1C ZINC000345976338 217767722 /nfs/dbraw/zinc/76/77/22/217767722.db2.gz GTYFKIAFPGVJAP-UHFFFAOYSA-N -1 3 295.342 3.446 20 0 CGADHM O=C(c1cccc([O-])c1)N1CCC(c2ccccc2)CC1 ZINC000193068267 375822327 /nfs/dbraw/zinc/82/23/27/375822327.db2.gz ITYYUHKKANRLAO-UHFFFAOYSA-N -1 3 281.355 3.412 20 0 CGADHM CN(CCCCc1ccccc1)C(=O)c1ccccc1[O-] ZINC000193702761 375913176 /nfs/dbraw/zinc/91/31/76/375913176.db2.gz OZYIGYICEGHVCD-UHFFFAOYSA-N -1 3 283.371 3.487 20 0 CGADHM CSc1ccc(NC(=O)c2ccc(C)cc2[O-])cn1 ZINC000535795262 376063049 /nfs/dbraw/zinc/06/30/49/376063049.db2.gz MCCXIGZEPRQAHM-UHFFFAOYSA-N -1 3 274.345 3.070 20 0 CGADHM CCc1cccc(C(=O)N2[C@H](C)CC[C@H]2CC)c1[O-] ZINC000536817149 376132054 /nfs/dbraw/zinc/13/20/54/376132054.db2.gz XSMUWDUBISBEFV-DGCLKSJQSA-N -1 3 261.365 3.358 20 0 CGADHM CCOc1cccc(CNCc2cccc(C(=O)[O-])c2)c1 ZINC000213493228 376140726 /nfs/dbraw/zinc/14/07/26/376140726.db2.gz MJJCGDDLBVVMBX-UHFFFAOYSA-N -1 3 285.343 3.073 20 0 CGADHM CCc1[n-][nH]c(=NC(=O)[C@@H](C)CCCc2ccccc2)c1C ZINC000537329480 376162431 /nfs/dbraw/zinc/16/24/31/376162431.db2.gz LVUSSLPXKTYNSL-ZDUSSCGKSA-N -1 3 299.418 3.300 20 0 CGADHM CCS[C@@H]1CCC[C@@H]1NC(=O)c1ccc(C)cc1[O-] ZINC000225705686 376321869 /nfs/dbraw/zinc/32/18/69/376321869.db2.gz KDAMXBWIKFBHOO-GXTWGEPZSA-N -1 3 279.405 3.105 20 0 CGADHM Cc1ccc([O-])c(C(=O)NCCCc2cccs2)c1 ZINC000539915541 376347758 /nfs/dbraw/zinc/34/77/58/376347758.db2.gz LEUDUQITXMVQJC-UHFFFAOYSA-N -1 3 275.373 3.125 20 0 CGADHM Cc1cc(C(=O)N(C)Cc2cccs2)ccc1[O-] ZINC000227012761 376376751 /nfs/dbraw/zinc/37/67/51/376376751.db2.gz MJOMPJZFLBZHEX-UHFFFAOYSA-N -1 3 261.346 3.034 20 0 CGADHM Cc1cc(C(=O)N[C@@H]2CCCCC2(C)C)ccc1[O-] ZINC000227039681 376378799 /nfs/dbraw/zinc/37/87/99/376378799.db2.gz HUVJHWTUMGCNHC-CQSZACIVSA-N -1 3 261.365 3.399 20 0 CGADHM O=C(Nc1cc(C(F)(F)F)ccc1[O-])c1cncs1 ZINC000334302113 206334627 /nfs/dbraw/zinc/33/46/27/206334627.db2.gz ZMYUNHKXEWTVFI-UHFFFAOYSA-N -1 3 288.250 3.120 20 0 CGADHM CC[C@@H]1CC[C@@H](C)N1C(=O)c1cc([O-])ccc1Cl ZINC000233917556 376606640 /nfs/dbraw/zinc/60/66/40/376606640.db2.gz QAZXKAFTLOVEQX-NXEZZACHSA-N -1 3 267.756 3.449 20 0 CGADHM Cc1cc(C(=O)Nc2ccc(-c3c[nH]cn3)cc2)ccc1[O-] ZINC000542787587 376577271 /nfs/dbraw/zinc/57/72/71/376577271.db2.gz MUWXPTDSDYYNAX-UHFFFAOYSA-N -1 3 293.326 3.343 20 0 CGADHM CC[C@H](NC(=O)c1cc([O-])ccc1Cl)c1nccs1 ZINC000234023496 376610689 /nfs/dbraw/zinc/61/06/89/376610689.db2.gz ZVSZPVIQGWNZRF-NSHDSACASA-N -1 3 296.779 3.383 20 0 CGADHM C[C@@H]1CCCN(Cc2ccc(F)cc2Cl)[C@@H]1C(=O)[O-] ZINC000235320426 376636326 /nfs/dbraw/zinc/63/63/26/376636326.db2.gz VYJNWLUERXCRHK-RNCFNFMXSA-N -1 3 285.746 3.164 20 0 CGADHM C[C@@H]1CCCN(Cc2ccc(Cl)cc2F)[C@@H]1C(=O)[O-] ZINC000235318720 376637007 /nfs/dbraw/zinc/63/70/07/376637007.db2.gz ATPJOQANOBYPQN-RNCFNFMXSA-N -1 3 285.746 3.164 20 0 CGADHM C[C@H]1C[C@H](C)CN(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000235718795 376649552 /nfs/dbraw/zinc/64/95/52/376649552.db2.gz UVLLOANALPWCIG-UWVGGRQHSA-N -1 3 267.756 3.164 20 0 CGADHM CCc1cccc(C(=O)N2C[C@H](C)CC(C)(C)C2)c1[O-] ZINC000544322986 376719842 /nfs/dbraw/zinc/71/98/42/376719842.db2.gz MOANBXQIFTXUOK-GFCCVEGCSA-N -1 3 275.392 3.463 20 0 CGADHM CCC[C@H]1CCCC[C@H]1NC(=O)c1cccc([O-])c1 ZINC000543745054 376673706 /nfs/dbraw/zinc/67/37/06/376673706.db2.gz OPKBNNUMMFTHCQ-SWLSCSKDSA-N -1 3 261.365 3.481 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2cc(Br)cs2)n1 ZINC000339116354 376689563 /nfs/dbraw/zinc/68/95/63/376689563.db2.gz MEULDOWZOBJFKE-IHWYPQMZSA-N -1 3 297.177 3.485 20 0 CGADHM COc1ccc(NC(=O)c2coc3ccccc23)c([O-])c1 ZINC000135424721 542087040 /nfs/dbraw/zinc/08/70/40/542087040.db2.gz BVRLXLLRAGUMCQ-UHFFFAOYSA-N -1 3 283.283 3.399 20 0 CGADHM CCc1ccc([O-])c(C(=O)NC(C)(C)c2ccc(C)nc2)c1 ZINC000544822364 376762632 /nfs/dbraw/zinc/76/26/32/376762632.db2.gz QERIVMRMBFVCCM-UHFFFAOYSA-N -1 3 298.386 3.323 20 0 CGADHM COc1ccc(NC(=O)c2c(F)ccc(F)c2F)c([O-])c1 ZINC000135413910 542087782 /nfs/dbraw/zinc/08/77/82/542087782.db2.gz BQEYOIYQHRVKSZ-UHFFFAOYSA-N -1 3 297.232 3.070 20 0 CGADHM CCO[C@@H](CC)c1noc(-c2ccc(C)cc2[O-])n1 ZINC000157375010 542134091 /nfs/dbraw/zinc/13/40/91/542134091.db2.gz PWESVLSBVWRRQU-LBPRGKRZSA-N -1 3 262.309 3.238 20 0 CGADHM Cc1ccc(C(=O)Nc2ccccc2CN(C)C)c([O-])c1 ZINC000556931912 376905879 /nfs/dbraw/zinc/90/58/79/376905879.db2.gz NATQFFBKARAORT-UHFFFAOYSA-N -1 3 284.359 3.015 20 0 CGADHM CCc1cc(C(=O)N[C@@H]2CC(C)(C)OC2(C)C)ccc1[O-] ZINC000557670293 376950688 /nfs/dbraw/zinc/95/06/88/376950688.db2.gz VIPXMUQONUXKEX-CQSZACIVSA-N -1 3 291.391 3.031 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCC[C@H](CC(C)C)C2)n1 ZINC000562503113 377319790 /nfs/dbraw/zinc/31/97/90/377319790.db2.gz ZUBPNDLLPLCKGM-ZIAGYGMSSA-N -1 3 277.412 3.310 20 0 CGADHM C[C@@H]1C[C@@H](C)N1Cc1cc([O-])cc(C(F)(F)F)c1 ZINC000562212083 377284171 /nfs/dbraw/zinc/28/41/71/377284171.db2.gz QUYJRVFOWFQLJY-RKDXNWHRSA-N -1 3 259.271 3.394 20 0 CGADHM C[C@H](c1nc(-c2ccc3n[n-]nc3c2)no1)C(C)(C)C ZINC000562322060 377294225 /nfs/dbraw/zinc/29/42/25/377294225.db2.gz UTFCJMKSNMDRHT-MRVPVSSYSA-N -1 3 271.324 3.158 20 0 CGADHM C[C@@H]1CC[C@H](NC(=O)c2cc(=O)c3ccccc3[n-]2)[C@@H](C)C1 ZINC000264907093 190143538 /nfs/dbraw/zinc/14/35/38/190143538.db2.gz JCEBEMZKAXOQIM-DYEKYZERSA-N -1 3 298.386 3.495 20 0 CGADHM C[C@H](CSc1nc2nncc-2c(O)[n-]1)C1CCCCC1 ZINC000562819860 377363426 /nfs/dbraw/zinc/36/34/26/377363426.db2.gz XXDYDNRWGZLDIN-SECBINFHSA-N -1 3 292.408 3.367 20 0 CGADHM C/C=C/c1ccc([N-]S(=O)(=O)C[C@@H]2CCCCO2)cc1 ZINC000341058638 377378000 /nfs/dbraw/zinc/37/80/00/377378000.db2.gz DVTHZTCFLPQPDF-IJJSQOHJSA-N -1 3 295.404 3.031 20 0 CGADHM CCOc1cc(CN2CCC[C@H](F)C2)cc(Cl)c1[O-] ZINC000563273831 377429017 /nfs/dbraw/zinc/42/90/17/377429017.db2.gz XHHSMYDUYLJHAN-NSHDSACASA-N -1 3 287.762 3.378 20 0 CGADHM CCCCN(Cc1csc(C(=O)[O-])c1)C1CC1 ZINC000563278116 377431859 /nfs/dbraw/zinc/43/18/59/377431859.db2.gz PCALFVPZOFSFFC-UHFFFAOYSA-N -1 3 253.367 3.211 20 0 CGADHM O=C([O-])[C@@H](CCN1Cc2ccccc2C1)c1ccccc1 ZINC000563277738 377432004 /nfs/dbraw/zinc/43/20/04/377432004.db2.gz BKFUKAIDHXXLAF-KRWDZBQOSA-N -1 3 281.355 3.261 20 0 CGADHM CC(C)CN(CCC(=O)[O-])Cc1nc2ccccc2s1 ZINC000563283471 377434323 /nfs/dbraw/zinc/43/43/23/377434323.db2.gz OKUOQADYLQFRGT-UHFFFAOYSA-N -1 3 292.404 3.229 20 0 CGADHM CC(C)C[C@@H](C(=O)[O-])N(C)Cc1cc(Cl)ccc1F ZINC000563282700 377435447 /nfs/dbraw/zinc/43/54/47/377435447.db2.gz KWYSEBWPXITVCN-ZDUSSCGKSA-N -1 3 287.762 3.410 20 0 CGADHM CCOc1cc(-c2noc(CCC3CC3)n2)ccc1[O-] ZINC000278088393 249067534 /nfs/dbraw/zinc/06/75/34/249067534.db2.gz OHWVETOVPXEVKF-UHFFFAOYSA-N -1 3 274.320 3.184 20 0 CGADHM CC[C@@H]1CC[C@H](C)N(C(=O)c2cccc(C)c2[O-])C1 ZINC000312988447 249083768 /nfs/dbraw/zinc/08/37/68/249083768.db2.gz HRQSONAIWFRDJD-QWHCGFSZSA-N -1 3 261.365 3.351 20 0 CGADHM [O-]c1ccccc1-c1nc(-c2ccc3nccnc3c2)no1 ZINC000315473439 249099129 /nfs/dbraw/zinc/09/91/29/249099129.db2.gz VFMRKAYWHIMPQY-UHFFFAOYSA-N -1 3 290.282 3.052 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)C2CCSCC2)c1[O-] ZINC000265460891 190183586 /nfs/dbraw/zinc/18/35/86/190183586.db2.gz VRYRJGXHQPHCCK-UHFFFAOYSA-N -1 3 285.796 3.436 20 0 CGADHM O=C([O-])c1ccc(CN2CCC[C@]3(CC=CCC3)C2)o1 ZINC000573855570 377585213 /nfs/dbraw/zinc/58/52/13/377585213.db2.gz MUOFHOWELDBWOF-MRXNPFEDSA-N -1 3 275.348 3.300 20 0 CGADHM C[C@@H]1CCC[C@@H](NC(=O)c2c[n-]nc2-c2ccccn2)[C@H]1C ZINC000517211091 249259423 /nfs/dbraw/zinc/25/94/23/249259423.db2.gz JKIWTKSDEJRMDO-MBNYWOFBSA-N -1 3 298.390 3.026 20 0 CGADHM O=C(Nc1ncccc1[O-])[C@H]1C[C@]12CCCc1ccccc12 ZINC000341887475 377623553 /nfs/dbraw/zinc/62/35/53/377623553.db2.gz LJESXECCFOIZIR-KDOFPFPSSA-N -1 3 294.354 3.020 20 0 CGADHM CCc1oc(C(=O)[O-])cc1CN1CC[C@@](C)(CC)C1 ZINC000574212878 377634404 /nfs/dbraw/zinc/63/44/04/377634404.db2.gz HAVUVQHCZJXRKQ-OAHLLOKOSA-N -1 3 265.353 3.162 20 0 CGADHM CC[C@@H]1[C@@H](C)CCN1C(=O)c1c[n-]c2ccc(C)cc2c1=O ZINC000342563910 377661353 /nfs/dbraw/zinc/66/13/53/377661353.db2.gz FSSHHIXDRBSAJB-BLLLJJGKSA-N -1 3 298.386 3.097 20 0 CGADHM O=C([O-])c1cnccc1N1CCC[C@H](c2ccccc2)C1 ZINC000574813897 377713225 /nfs/dbraw/zinc/71/32/25/377713225.db2.gz QDQGMQZQFOVKCU-AWEZNQCLSA-N -1 3 282.343 3.164 20 0 CGADHM Cc1oc(CN2CCSC3(CCC3)CC2)cc1C(=O)[O-] ZINC000574824101 377714664 /nfs/dbraw/zinc/71/46/64/377714664.db2.gz UCVAASOODVEPRF-UHFFFAOYSA-N -1 3 295.404 3.148 20 0 CGADHM Cc1cccc(C)c1NC(=O)/C=C\c1cncc([O-])c1 ZINC000255412977 377756916 /nfs/dbraw/zinc/75/69/16/377756916.db2.gz YCVVLKHSGNRULF-SREVYHEPSA-N -1 3 268.316 3.056 20 0 CGADHM COc1ccccc1/C=C\C(=O)Nc1cccc([O-])c1F ZINC000255559580 377766677 /nfs/dbraw/zinc/76/66/77/377766677.db2.gz WLCADQSORQNAHL-KTKRTIGZSA-N -1 3 287.290 3.192 20 0 CGADHM Cc1cccc([N-]S(=O)(=O)CCc2ccccc2)c1F ZINC000342786824 377792939 /nfs/dbraw/zinc/79/29/39/377792939.db2.gz VODRZGQWDURLCZ-UHFFFAOYSA-N -1 3 293.363 3.119 20 0 CGADHM C[C@H](c1ccc(F)cc1F)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000263390740 377931210 /nfs/dbraw/zinc/93/12/10/377931210.db2.gz YPZNKECCVJHXPY-GMTAPVOTSA-N -1 3 283.318 3.068 20 0 CGADHM C[C@@H]1C[C@@H](c2cccnc2)N(Cc2ccc(C(=O)[O-])cc2)C1 ZINC000263396275 377932946 /nfs/dbraw/zinc/93/29/46/377932946.db2.gz GQZRWLLQSCTEQU-DYVFJYSZSA-N -1 3 296.370 3.363 20 0 CGADHM O=C([O-])c1cccc(CN2CCC[C@H]2c2ccncc2)c1 ZINC000263450941 377939336 /nfs/dbraw/zinc/93/93/36/377939336.db2.gz ZOLUQFHVPYLWJP-INIZCTEOSA-N -1 3 282.343 3.117 20 0 CGADHM CN(C)c1ccccc1CN(C)Cc1ccc(C(=O)[O-])cc1 ZINC000263451852 377939543 /nfs/dbraw/zinc/93/95/43/377939543.db2.gz ZZBHVJPZMXBLKK-UHFFFAOYSA-N -1 3 298.386 3.083 20 0 CGADHM C[C@@H]1CC[C@@H](C(=O)[O-])CN1Cc1ccc(Cl)s1 ZINC000263528431 377944366 /nfs/dbraw/zinc/94/43/66/377944366.db2.gz VEVAJODIVSNPKO-RKDXNWHRSA-N -1 3 273.785 3.087 20 0 CGADHM Cc1oc(C(=O)[O-])cc1CN1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000578199311 378046014 /nfs/dbraw/zinc/04/60/14/378046014.db2.gz AYUSPRGAXFQMGJ-BZNIZROVSA-N -1 3 277.364 3.298 20 0 CGADHM Cc1ccc([C@@H]2CCCN2Cc2ncccc2[O-])o1 ZINC000578263728 378053388 /nfs/dbraw/zinc/05/33/88/378053388.db2.gz RYKZOKISPMXNSR-ZDUSSCGKSA-N -1 3 258.321 3.026 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N(C)Cc2ccc(Cl)s2)n1 ZINC000268463233 378063640 /nfs/dbraw/zinc/06/36/40/378063640.db2.gz XLHWNKMXNQQFKM-VIFPVBQESA-N -1 3 297.811 3.399 20 0 CGADHM CCCC[C@@H](CC)CC(=O)Nc1nnc(SC)[n-]1 ZINC000343721614 378075749 /nfs/dbraw/zinc/07/57/49/378075749.db2.gz VXNLJRZIOZBPHV-SECBINFHSA-N -1 3 270.402 3.072 20 0 CGADHM CCCC[C@@H](CC)CC(=O)Nc1nc(SC)n[n-]1 ZINC000343721614 378075755 /nfs/dbraw/zinc/07/57/55/378075755.db2.gz VXNLJRZIOZBPHV-SECBINFHSA-N -1 3 270.402 3.072 20 0 CGADHM CCCC[C@@H](CC)CC(=O)Nc1n[n-]c(SC)n1 ZINC000343721614 378075760 /nfs/dbraw/zinc/07/57/60/378075760.db2.gz VXNLJRZIOZBPHV-SECBINFHSA-N -1 3 270.402 3.072 20 0 CGADHM [O-]c1cccnc1CN1CCC(c2ccsc2)CC1 ZINC000578579469 378081796 /nfs/dbraw/zinc/08/17/96/378081796.db2.gz YJCNBSBZGWZAOH-UHFFFAOYSA-N -1 3 274.389 3.228 20 0 CGADHM O=C([N-]c1nnc(C2CC2)s1)c1cc(F)ccc1Cl ZINC000578587098 378083193 /nfs/dbraw/zinc/08/31/93/378083193.db2.gz JTGPTTOKPNFBHY-UHFFFAOYSA-N -1 3 297.742 3.460 20 0 CGADHM C[C@H](NCc1nc(-c2ccccc2)cs1)[C@H](C)C(=O)[O-] ZINC000578634954 378086644 /nfs/dbraw/zinc/08/66/44/378086644.db2.gz PFMXTMBQRJNVFL-QWRGUYRKSA-N -1 3 290.388 3.009 20 0 CGADHM C[C@H]1CCCC[C@H]1c1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000579965804 378212997 /nfs/dbraw/zinc/21/29/97/378212997.db2.gz RSJAGIBTLWRXPN-GXSJLCMTSA-N -1 3 283.335 3.302 20 0 CGADHM CC(C)CO[N-]C(=O)Nc1ccc2c(c1)CC(C)(C)O2 ZINC000269700851 378256526 /nfs/dbraw/zinc/25/65/26/378256526.db2.gz PUTUKTLPWRNZGY-UHFFFAOYSA-N -1 3 278.352 3.109 20 0 CGADHM CCN(Cc1ccc(C(=O)[O-])c(Cl)c1)C[C@H]1CCCO1 ZINC000583877652 378355813 /nfs/dbraw/zinc/35/58/13/378355813.db2.gz UCMPRVRCGFPBSF-GFCCVEGCSA-N -1 3 297.782 3.039 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2csc(CC(C)C)n2)n1 ZINC000345928207 378412370 /nfs/dbraw/zinc/41/23/70/378412370.db2.gz DCILITFWXKVKMV-UHFFFAOYSA-N -1 3 291.376 3.003 20 0 CGADHM Cc1ccc([O-])c(NC(=O)C[C@H](C)c2ccccc2)n1 ZINC000345986805 378431295 /nfs/dbraw/zinc/43/12/95/378431295.db2.gz OLQZXAQXKPQFQG-NSHDSACASA-N -1 3 270.332 3.228 20 0 CGADHM COc1ccccc1[C@@H]1CCN(C(=O)c2cccc([O-])c2)C1 ZINC000272711694 378691682 /nfs/dbraw/zinc/69/16/82/378691682.db2.gz FCLATHBPPJIBFY-CQSZACIVSA-N -1 3 297.354 3.031 20 0 CGADHM CCc1c([N-]C(=O)CO[C@H](C)CC)onc1C(F)(F)F ZINC000274670764 378872251 /nfs/dbraw/zinc/87/22/51/378872251.db2.gz HIODIZJRRLXQAW-SSDOTTSWSA-N -1 3 294.273 3.009 20 0 CGADHM COc1cc(-c2nc(CCC(C)C)no2)cc(OC)c1[O-] ZINC000275066752 378933357 /nfs/dbraw/zinc/93/33/57/378933357.db2.gz GHWXNIZXUVULRM-UHFFFAOYSA-N -1 3 292.335 3.048 20 0 CGADHM CC(=O)[C@H](C)CCCCc1nc(-c2ccc([O-])cc2)no1 ZINC000275090931 378936470 /nfs/dbraw/zinc/93/64/70/378936470.db2.gz QQZUCEWDOIMEIK-LLVKDONJSA-N -1 3 288.347 3.380 20 0 CGADHM O=C(c1cccc([O-])c1)N1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000370141910 378987290 /nfs/dbraw/zinc/98/72/90/378987290.db2.gz VREILAAVMOMRSJ-MRXNPFEDSA-N -1 3 299.345 3.379 20 0 CGADHM CCCC1(CNC(=O)c2ccc([O-])c(OC)c2)CCC1 ZINC000276887761 379013600 /nfs/dbraw/zinc/01/36/00/379013600.db2.gz HEBYXWCZNCCXJJ-UHFFFAOYSA-N -1 3 277.364 3.101 20 0 CGADHM O=C([O-])C[C@H](NCc1ccsc1)c1ccsc1 ZINC000276953146 379029904 /nfs/dbraw/zinc/02/99/04/379029904.db2.gz DVNVLVWNXBUMLG-NSHDSACASA-N -1 3 267.375 3.115 20 0 CGADHM CC(C)[C@@H](CNCc1cccc(Cl)c1Cl)C(=O)[O-] ZINC000277450355 379162995 /nfs/dbraw/zinc/16/29/95/379162995.db2.gz UZSDKRZCVYLAJX-SNVBAGLBSA-N -1 3 290.190 3.440 20 0 CGADHM CC(C)c1ccc(C(=O)NC2CC(F)(F)C2)c([O-])c1 ZINC000277499403 379175990 /nfs/dbraw/zinc/17/59/90/379175990.db2.gz JAZHCBVDNUDFPN-UHFFFAOYSA-N -1 3 269.291 3.043 20 0 CGADHM Cc1c(C(=O)N2CC[C@@H](C)c3cccc([O-])c32)ccn1C ZINC000192595483 542266891 /nfs/dbraw/zinc/26/68/91/542266891.db2.gz RSSIJERYJIMRKS-LLVKDONJSA-N -1 3 284.359 3.193 20 0 CGADHM Cc1cc(C(=O)N2CCS[C@H]3CCCC[C@@H]32)ccc1[O-] ZINC000272710893 291723904 /nfs/dbraw/zinc/72/39/04/291723904.db2.gz XUPBNXHXVKCEPH-ZFWWWQNUSA-N -1 3 291.416 3.201 20 0 CGADHM COc1ccc(C(=O)N(CC2CCC2)C(C)C)c([O-])c1 ZINC000277762692 379231338 /nfs/dbraw/zinc/23/13/38/379231338.db2.gz RWJGMUVTAAIHOT-UHFFFAOYSA-N -1 3 277.364 3.052 20 0 CGADHM CCOc1cc(-c2noc(C[C@@H]3C=CCC3)n2)ccc1[O-] ZINC000277792711 379237596 /nfs/dbraw/zinc/23/75/96/379237596.db2.gz FDVFYPVJGRJNAJ-LLVKDONJSA-N -1 3 286.331 3.350 20 0 CGADHM Cc1ccc(C(=O)N(C)CCc2cccs2)c([O-])c1C ZINC000266550940 190266077 /nfs/dbraw/zinc/26/60/77/190266077.db2.gz KYXCIBNSQKWMQL-UHFFFAOYSA-N -1 3 289.400 3.385 20 0 CGADHM COC(C)(C)CC(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000279767143 379511726 /nfs/dbraw/zinc/51/17/26/379511726.db2.gz FMOLYAMROUJITP-UHFFFAOYSA-N -1 3 271.744 3.108 20 0 CGADHM CSCCON=C([O-])Nc1cc(Cl)ccc1C ZINC000280574689 379736778 /nfs/dbraw/zinc/73/67/78/379736778.db2.gz RNAMDTFYMUYREW-UHFFFAOYSA-N -1 3 274.773 3.065 20 0 CGADHM CSCCO[N-]C(=O)Nc1cc(Cl)ccc1C ZINC000280574689 379736785 /nfs/dbraw/zinc/73/67/85/379736785.db2.gz RNAMDTFYMUYREW-UHFFFAOYSA-N -1 3 274.773 3.065 20 0 CGADHM CCc1ccc(NC(=O)c2cc(C(F)F)[n-]n2)cc1C ZINC000640058501 379703958 /nfs/dbraw/zinc/70/39/58/379703958.db2.gz ZYAVIDGTQZFKPI-UHFFFAOYSA-N -1 3 279.290 3.470 20 0 CGADHM CCO[C@@H]1C[C@H](NCc2c(F)ccc([O-])c2F)C12CCC2 ZINC000352570326 379862949 /nfs/dbraw/zinc/86/29/49/379862949.db2.gz FZDBSAFVNPDKRP-UONOGXRCSA-N -1 3 297.345 3.108 20 0 CGADHM CCC1(CC)[C@H](NCc2c(F)ccc([O-])c2F)C[C@H]1OC ZINC000352690293 379909319 /nfs/dbraw/zinc/90/93/19/379909319.db2.gz VEMPQTLOXODPFS-ZIAGYGMSSA-N -1 3 299.361 3.354 20 0 CGADHM Cc1cccc([O-])c1NC(=O)CCCC(F)(F)F ZINC000352687881 379909335 /nfs/dbraw/zinc/90/93/35/379909335.db2.gz ULLFXFSVNQYFTB-UHFFFAOYSA-N -1 3 261.243 3.372 20 0 CGADHM Cc1ccc(C(=O)N[C@H]2CCCc3cc(N)ccc32)c([O-])c1 ZINC000388389510 379886283 /nfs/dbraw/zinc/88/62/83/379886283.db2.gz IVDQONYDUDNBAL-INIZCTEOSA-N -1 3 296.370 3.090 20 0 CGADHM CCCCn1ncc(C(=O)Nc2c(C)cccc2[O-])c1C ZINC000352647008 379890392 /nfs/dbraw/zinc/89/03/92/379890392.db2.gz WRGDFNQXNUPPOT-UHFFFAOYSA-N -1 3 287.363 3.258 20 0 CGADHM CC[C@@H]1C[C@H](C)CN1C(=O)c1cc([O-])ccc1Cl ZINC000399714228 379943559 /nfs/dbraw/zinc/94/35/59/379943559.db2.gz ZHULQBVPUQZCCE-VHSXEESVSA-N -1 3 267.756 3.306 20 0 CGADHM C[C@@H](c1ccc(F)cc1)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000405291939 379984240 /nfs/dbraw/zinc/98/42/40/379984240.db2.gz KQRAIKIBYBKENO-FZMZJTMJSA-N -1 3 277.339 3.073 20 0 CGADHM CCC1(C[N-]S(=O)(=O)c2cc(C)c(Cl)s2)CC1 ZINC000352987177 380066794 /nfs/dbraw/zinc/06/67/94/380066794.db2.gz ITLXYEFNJQWBGF-UHFFFAOYSA-N -1 3 293.841 3.178 20 0 CGADHM C[C@@H](O)[C@H]1C[C@H](C)CCN1Cc1cccc([O-])c1Cl ZINC000353114918 380121212 /nfs/dbraw/zinc/12/12/12/380121212.db2.gz CXJNCHJJNUOQOR-NQBHXWOUSA-N -1 3 283.799 3.027 20 0 CGADHM [O-]c1cccc(CN[C@@H]2C[C@H]2c2ccco2)c1Cl ZINC000414593078 380331199 /nfs/dbraw/zinc/33/11/99/380331199.db2.gz QNKUOASIOLONKT-GHMZBOCLSA-N -1 3 263.724 3.284 20 0 CGADHM COc1ccc(F)cc1CN[C@@H](CCC(C)(C)C)C(=O)[O-] ZINC000414661110 380356848 /nfs/dbraw/zinc/35/68/48/380356848.db2.gz PYMHDKQMTXNCFE-ZDUSSCGKSA-N -1 3 297.370 3.203 20 0 CGADHM Cc1cc(C(=O)N2CCc3cccc(F)c3C2)ccc1[O-] ZINC000354612286 380503683 /nfs/dbraw/zinc/50/36/83/380503683.db2.gz NUNZQFJBYDJDMS-UHFFFAOYSA-N -1 3 285.318 3.038 20 0 CGADHM CCc1cnc(CNC[C@@]2(CC(=O)[O-])CC[C@H](C)C2)s1 ZINC000417565307 380639341 /nfs/dbraw/zinc/63/93/41/380639341.db2.gz LUDKBPVDMAJAMV-NHYWBVRUSA-N -1 3 296.436 3.076 20 0 CGADHM CO[C@@H]1[C@H](C)[C@@H](NCc2cccc([O-])c2Cl)C1(C)C ZINC000645171476 380602828 /nfs/dbraw/zinc/60/28/28/380602828.db2.gz KGXMKKNIOAGEEG-OWYVNGRQSA-N -1 3 283.799 3.195 20 0 CGADHM O=C([O-])CC[C@H]1CCCC[C@H]1NCc1ccc(Cl)o1 ZINC000417619538 380655397 /nfs/dbraw/zinc/65/53/97/380655397.db2.gz FFRQHCOAZISRIS-ZYHUDNBSSA-N -1 3 285.771 3.446 20 0 CGADHM CO[C@H](CN=c1[n-]cc(C(F)(F)F)s1)CC(C)C ZINC000418999677 380760075 /nfs/dbraw/zinc/76/00/75/380760075.db2.gz XCXHLGCDMBQKCY-QMMMGPOBSA-N -1 3 282.331 3.057 20 0 CGADHM Cc1ccccc1C1(NCc2cc(=O)[n-]c(C3CC3)n2)CC1 ZINC000645981066 380792079 /nfs/dbraw/zinc/79/20/79/380792079.db2.gz OKSQVPLGUSBRMI-UHFFFAOYSA-N -1 3 295.386 3.147 20 0 CGADHM Cc1ccc(C(=O)N2CC(C)(CC(F)(F)F)C2)c([O-])c1 ZINC000334764561 207036257 /nfs/dbraw/zinc/03/62/57/207036257.db2.gz ABLGUQSPDUXQRX-UHFFFAOYSA-N -1 3 287.281 3.115 20 0 CGADHM Cc1ccc([O-])c(CN2C[C@H](C)c3ccccc32)n1 ZINC000356988089 380973455 /nfs/dbraw/zinc/97/34/55/380973455.db2.gz WUEBSCBGILDOGZ-NSHDSACASA-N -1 3 254.333 3.219 20 0 CGADHM C[C@H](CNC(=O)c1cccc([O-])c1)c1ccc(F)cc1 ZINC000357345735 381118743 /nfs/dbraw/zinc/11/87/43/381118743.db2.gz KSMSGZPRYFQVQO-LLVKDONJSA-N -1 3 273.307 3.065 20 0 CGADHM COc1cc(C(=O)N[C@H](C)c2cc(C)oc2C)ccc1[O-] ZINC000357613823 381231145 /nfs/dbraw/zinc/23/11/45/381231145.db2.gz IBKCRBGFXHYQTI-SNVBAGLBSA-N -1 3 289.331 3.102 20 0 CGADHM C/C=C\c1ccc(NC(=O)c2csc(=NCC)[n-]2)cc1 ZINC000360319827 381515010 /nfs/dbraw/zinc/51/50/10/381515010.db2.gz QNQPAQQMJAXBNY-HYXAFXHYSA-N -1 3 287.388 3.282 20 0 CGADHM Cc1cc(C(=O)N2Cc3ccccc3C3(CC3)C2)ccc1[O-] ZINC000360971437 381637287 /nfs/dbraw/zinc/63/72/87/381637287.db2.gz SLTBBNNWQHNFMN-UHFFFAOYSA-N -1 3 293.366 3.388 20 0 CGADHM CCCCN(C(=O)c1c[n-]c2c(C)cccc2c1=O)C1CC1 ZINC000361386977 381726240 /nfs/dbraw/zinc/72/62/40/381726240.db2.gz RPPDGODCVQWCPR-UHFFFAOYSA-N -1 3 298.386 3.241 20 0 CGADHM Cc1cc(C(=O)[N-]c2nc3c(s2)CCCC3(C)C)on1 ZINC000331818543 291784156 /nfs/dbraw/zinc/78/41/56/291784156.db2.gz VXPVDPQSIXZNAN-UHFFFAOYSA-N -1 3 291.376 3.306 20 0 CGADHM CCc1cc(=O)[n-]c(CN2CCC[C@H](C(C)(C)C)C2)n1 ZINC000361541847 381792874 /nfs/dbraw/zinc/79/28/74/381792874.db2.gz UAVCGEWSMKGGMO-LBPRGKRZSA-N -1 3 277.412 3.003 20 0 CGADHM O=c1nc(CN(CC2CC2)C2CCC2)[n-]c2ccsc21 ZINC000361585742 381818574 /nfs/dbraw/zinc/81/85/74/381818574.db2.gz JSYASAYJDJKLFJ-UHFFFAOYSA-N -1 3 289.404 3.161 20 0 CGADHM Cc1ncc(NC(=O)c2cc3cc(Cl)sc3[n-]2)cn1 ZINC000362746774 382113500 /nfs/dbraw/zinc/11/35/00/382113500.db2.gz WDKKZVANDULVAW-UHFFFAOYSA-N -1 3 292.751 3.234 20 0 CGADHM CCc1cc(C(=O)N2[C@@H](C)CCC[C@@H]2C)ccc1[O-] ZINC000362755500 382115652 /nfs/dbraw/zinc/11/56/52/382115652.db2.gz IWCCZCQUGVEJKG-RYUDHWBXSA-N -1 3 261.365 3.358 20 0 CGADHM CCc1cc(C(=O)N2[C@H](C)CCC[C@@H]2C)ccc1[O-] ZINC000362755501 382115869 /nfs/dbraw/zinc/11/58/69/382115869.db2.gz IWCCZCQUGVEJKG-TXEJJXNPSA-N -1 3 261.365 3.358 20 0 CGADHM CCC[C@H](C)[C@H]1CCCN1Cc1nc(CC)cc(=O)[n-]1 ZINC000362968390 382168789 /nfs/dbraw/zinc/16/87/89/382168789.db2.gz YSRHHRFRDBWFSI-GXTWGEPZSA-N -1 3 277.412 3.145 20 0 CGADHM O=C([O-])[C@]1(C(F)(F)F)CCN([C@H]2CCc3ccccc32)C1 ZINC000250866290 542344695 /nfs/dbraw/zinc/34/46/95/542344695.db2.gz WFZZSGFUDNIGMQ-JSGCOSHPSA-N -1 3 299.292 3.013 20 0 CGADHM COc1cc(C)cc(NC(=O)c2cccc([O-])c2)c1C ZINC000335308257 208159404 /nfs/dbraw/zinc/15/94/04/208159404.db2.gz PXIIEPKTPGSUFH-UHFFFAOYSA-N -1 3 271.316 3.270 20 0 CGADHM C[C@H]1CCCN1C(=O)c1cc([O-])c2ccccc2c1 ZINC000280174819 542381011 /nfs/dbraw/zinc/38/10/11/542381011.db2.gz COTMZPGYGFYALY-NSHDSACASA-N -1 3 255.317 3.170 20 0 CGADHM C[C@H]1CN(C(=O)c2cc([O-])c3ccccc3c2)C[C@H]1C ZINC000280506690 542382059 /nfs/dbraw/zinc/38/20/59/542382059.db2.gz WUSZFLPEXZSDOL-TXEJJXNPSA-N -1 3 269.344 3.273 20 0 CGADHM CO[C@@H]1CN(C(=O)c2cc([O-])c3ccccc3c2)CC[C@@H]1C ZINC000281261320 542383629 /nfs/dbraw/zinc/38/36/29/542383629.db2.gz QROWQTPPFGLMDP-YVEFUNNKSA-N -1 3 299.370 3.042 20 0 CGADHM CN(Cc1cccc(F)c1)Cc1c(F)ccc([O-])c1F ZINC000350225909 219002511 /nfs/dbraw/zinc/00/25/11/219002511.db2.gz YXOWBPVJCHZYBD-UHFFFAOYSA-N -1 3 281.277 3.442 20 0 CGADHM COc1cncc(/C=C\c2nc(-c3ccc([O-])cc3)no2)c1 ZINC000436983093 533126554 /nfs/dbraw/zinc/12/65/54/533126554.db2.gz VLYZVGNECUYNFU-UQCOIBPSSA-N -1 3 295.298 3.016 20 0 CGADHM CSCCCN(C)C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000281208258 195150192 /nfs/dbraw/zinc/15/01/92/195150192.db2.gz DOLJUFGJGWPMHT-UHFFFAOYSA-N -1 3 293.432 3.096 20 0 CGADHM Cc1ccc([O-])c(NC(=O)[C@H]2CC[C@@H](C(F)(F)F)C2)n1 ZINC000334204603 542454756 /nfs/dbraw/zinc/45/47/56/542454756.db2.gz WGGQDTNDJBRZNF-DTWKUNHWSA-N -1 3 288.269 3.013 20 0 CGADHM COc1ccc(NC(=O)[C@]2(C)CC=CCC2)c([O-])c1 ZINC000335235516 542465670 /nfs/dbraw/zinc/46/56/70/542465670.db2.gz AXHFQVIHJXYYAR-OAHLLOKOSA-N -1 3 261.321 3.086 20 0 CGADHM O=C(NC1(CF)CCC1)c1cc([O-])c2ccccc2c1 ZINC000335541471 542470310 /nfs/dbraw/zinc/47/03/10/542470310.db2.gz JPMJVAIQZFLHCW-UHFFFAOYSA-N -1 3 273.307 3.167 20 0 CGADHM CSCCON=C([O-])Nc1ccccc1OC(C)(C)C ZINC000281463700 195250741 /nfs/dbraw/zinc/25/07/41/195250741.db2.gz RRBDDSKICDYVKW-UHFFFAOYSA-N -1 3 298.408 3.280 20 0 CGADHM CSCCO[N-]C(=O)Nc1ccccc1OC(C)(C)C ZINC000281463700 195250743 /nfs/dbraw/zinc/25/07/43/195250743.db2.gz RRBDDSKICDYVKW-UHFFFAOYSA-N -1 3 298.408 3.280 20 0 CGADHM C[C@@H]1[C@@H](C)CN1C(=O)c1cc([O-])c2ccccc2c1 ZINC000335972205 542473290 /nfs/dbraw/zinc/47/32/90/542473290.db2.gz YOPOYASIGZPGJX-WDEREUQCSA-N -1 3 255.317 3.026 20 0 CGADHM O=c1[n-]c([C@@H]2CCCC(F)(F)C2)nc2cccnc12 ZINC000352207340 542552466 /nfs/dbraw/zinc/55/24/66/542552466.db2.gz WOHFIZHIFUFOSQ-MRVPVSSYSA-N -1 3 265.263 3.023 20 0 CGADHM CN(CC[C@H]1CCCO1)C(=O)c1cc([O-])c2ccccc2c1 ZINC000355940969 542569153 /nfs/dbraw/zinc/56/91/53/542569153.db2.gz BXTXDKRVCFZWQO-OAHLLOKOSA-N -1 3 299.370 3.187 20 0 CGADHM C[C@@H](C1CC1)N(C)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000345007566 533369982 /nfs/dbraw/zinc/36/99/82/533369982.db2.gz XLINDMIJFHNITD-NSHDSACASA-N -1 3 279.355 3.111 20 0 CGADHM C/C=C/c1ccc(N[C@@H](C)C(=O)[N-]c2cc(C)no2)cc1 ZINC000487968603 533456927 /nfs/dbraw/zinc/45/69/27/533456927.db2.gz NTVFLJWIZMUYDH-ITKZLYELSA-N -1 3 285.347 3.455 20 0 CGADHM COc1cccc(C(=O)N[C@H]2CCC[C@H](C(C)C)C2)c1[O-] ZINC000436595124 533418400 /nfs/dbraw/zinc/41/84/00/533418400.db2.gz KKXAWJWUOYZVDC-STQMWFEESA-N -1 3 291.391 3.345 20 0 CGADHM COc1cccc(C[C@@H](C)NC(=O)c2ccc(C)cc2[O-])c1 ZINC000436549413 533539519 /nfs/dbraw/zinc/53/95/19/533539519.db2.gz PZALFEUNZOCITO-CYBMUJFWSA-N -1 3 299.370 3.070 20 0 CGADHM COc1cc(C(=O)N[C@H](C)c2ccccc2C)ccc1[O-] ZINC000357597317 533552550 /nfs/dbraw/zinc/55/25/50/533552550.db2.gz SGCBMYSNLLLACK-GFCCVEGCSA-N -1 3 285.343 3.200 20 0 CGADHM COc1cccc(F)c1[N-]C(=O)c1cc(C(C)C)no1 ZINC000358448569 533567877 /nfs/dbraw/zinc/56/78/77/533567877.db2.gz WWNBSLHCRYBKAZ-UHFFFAOYSA-N -1 3 278.283 3.198 20 0 CGADHM COc1cc(C)cc(C(=O)Nc2ccc(C)c(F)c2)c1[O-] ZINC000436754493 533623408 /nfs/dbraw/zinc/62/34/08/533623408.db2.gz HZCBXXADPCJMMD-UHFFFAOYSA-N -1 3 289.306 3.409 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)[C@@]2(C)C[C@H]3CC[C@@H]2O3)c1[O-] ZINC000189808560 130024810 /nfs/dbraw/zinc/02/48/10/130024810.db2.gz PXJAJRPYZHRXSZ-GMXABZIVSA-N -1 3 295.766 3.250 20 0 CGADHM Cc1cc(Cl)ccc1CN1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC000388687911 542605346 /nfs/dbraw/zinc/60/53/46/542605346.db2.gz RQJPURDENJJTLP-SMDDNHRTSA-N -1 3 281.783 3.191 20 0 CGADHM C[C@@H]1C[C@@H](CNC(=O)c2cc([O-])c3ccccc3c2)[C@H](C)O1 ZINC000412666890 542631923 /nfs/dbraw/zinc/63/19/23/542631923.db2.gz ZAOYFGLARGUZMK-XUJVJEKNSA-N -1 3 299.370 3.089 20 0 CGADHM Cc1ccc(CNC(=O)c2ccc(C)cc2[O-])c(C)c1 ZINC000048464850 392001656 /nfs/dbraw/zinc/00/16/56/392001656.db2.gz IIQGKGWITLRTSX-UHFFFAOYSA-N -1 3 269.344 3.247 20 0 CGADHM C[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000026874856 391951369 /nfs/dbraw/zinc/95/13/69/391951369.db2.gz MQJMDSYNTSNIOK-RKDXNWHRSA-N -1 3 293.841 3.259 20 0 CGADHM O=C(Nc1ccccc1[O-])c1coc(Br)c1 ZINC000030603239 391961571 /nfs/dbraw/zinc/96/15/71/391961571.db2.gz DSGFLDQOSWTQGD-UHFFFAOYSA-N -1 3 282.093 3.000 20 0 CGADHM COc1ccc2cc(C(=O)Nc3ccccc3[O-])[nH]c2c1 ZINC000031225013 391962767 /nfs/dbraw/zinc/96/27/67/391962767.db2.gz ZTUOILCVBVWWMM-UHFFFAOYSA-N -1 3 282.299 3.134 20 0 CGADHM Cc1ccsc1CNC(=O)c1ccc(C)c(C)c1[O-] ZINC000049248136 392041072 /nfs/dbraw/zinc/04/10/72/392041072.db2.gz GMHSNKTYEVEGRL-UHFFFAOYSA-N -1 3 275.373 3.309 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2cc(F)c(F)cc2F)c1 ZINC000061094614 392125898 /nfs/dbraw/zinc/12/58/98/392125898.db2.gz SULIPSWYZAJCPL-UHFFFAOYSA-N -1 3 281.233 3.370 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2cc(F)cc(F)c2F)c1 ZINC000061120377 392126028 /nfs/dbraw/zinc/12/60/28/392126028.db2.gz UJXRDWBYUOWFML-UHFFFAOYSA-N -1 3 281.233 3.370 20 0 CGADHM CCCCc1nnc([N-]C(=O)c2sccc2OC)s1 ZINC000105940850 392295650 /nfs/dbraw/zinc/29/56/50/392295650.db2.gz IKYKBYMWVQDRFY-UHFFFAOYSA-N -1 3 297.405 3.203 20 0 CGADHM O=C([N-]C1=NCCS1)[C@H]1C[C@H]1c1cccc2ccccc21 ZINC000107424884 392323149 /nfs/dbraw/zinc/32/31/49/392323149.db2.gz GCTUFBCAXYQPFV-GJZGRUSLSA-N -1 3 296.395 3.162 20 0 CGADHM O=C([O-])CCN(Cc1cc(F)ccc1F)C1CCCC1 ZINC000238111533 131076889 /nfs/dbraw/zinc/07/68/89/131076889.db2.gz RGXAJBXBVFHHOL-UHFFFAOYSA-N -1 3 283.318 3.184 20 0 CGADHM Cc1ccc2[n-]cc(C(=O)N3CCCC4(CC4)C3)c(=O)c2c1 ZINC000286056353 392369213 /nfs/dbraw/zinc/36/92/13/392369213.db2.gz BFEIXWCAWVBYSZ-UHFFFAOYSA-N -1 3 296.370 3.265 20 0 CGADHM O=C([N-]c1cccc(F)c1F)c1ncoc1[C@H]1CCCO1 ZINC000115045971 392388672 /nfs/dbraw/zinc/38/86/72/392388672.db2.gz SFRKJUSJNHTLNW-SNVBAGLBSA-N -1 3 294.257 3.057 20 0 CGADHM Cc1ccc(C(=O)N2CCC[C@@H]2C(C)(C)C)c([O-])c1 ZINC000264409650 131446437 /nfs/dbraw/zinc/44/64/37/131446437.db2.gz ZJZBRQNWTZTGNV-CQSZACIVSA-N -1 3 261.365 3.351 20 0 CGADHM CCC1(C)CN(C(=O)c2cc([O-])ccc2C(F)(F)F)C1 ZINC000291098399 392456637 /nfs/dbraw/zinc/45/66/37/392456637.db2.gz RGFSJYNBWLBNCD-UHFFFAOYSA-N -1 3 287.281 3.283 20 0 CGADHM CCc1cc(C(=O)N2CCCC[C@H]2c2ncc[nH]2)ccc1[O-] ZINC000291478929 392461768 /nfs/dbraw/zinc/46/17/68/392461768.db2.gz KIXZJHYVZILMEL-AWEZNQCLSA-N -1 3 299.374 3.045 20 0 CGADHM COc1cccc(C(=O)Nc2ccc(Cl)cc2[O-])c1O ZINC000153625633 392521865 /nfs/dbraw/zinc/52/18/65/392521865.db2.gz QRFUMJGMROWZEA-UHFFFAOYSA-N -1 3 293.706 3.012 20 0 CGADHM C[C@H](O)C[C@@H]1CCCCCN1Cc1c(F)ccc([O-])c1F 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CC(C)c1ccc(-c2nc3ccc(O)cc3c(=O)[n-]2)cc1 ZINC000484963239 542708390 /nfs/dbraw/zinc/70/83/90/542708390.db2.gz NUVDZFUDKSEXNC-UHFFFAOYSA-N -1 3 280.327 3.419 20 0 CGADHM O=C(Nc1cccc2c1CN(C1CC1)C2)c1ccccc1[O-] ZINC000374833110 392706677 /nfs/dbraw/zinc/70/66/77/392706677.db2.gz CDDSFYRDJYUXPT-UHFFFAOYSA-N -1 3 294.354 3.123 20 0 CGADHM CC(C)Cn1nccc1C=Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000647602532 392770507 /nfs/dbraw/zinc/77/05/07/392770507.db2.gz KMKWCIBUWUHZMO-AATRIKPKSA-N -1 3 284.363 3.083 20 0 CGADHM [O-]c1ccc(F)c(CN[C@@H]2C[C@H]2Cc2ccccc2)c1F ZINC000511145221 392830582 /nfs/dbraw/zinc/83/05/82/392830582.db2.gz LNJXBSYETXLPRY-IUODEOHRSA-N -1 3 289.325 3.391 20 0 CGADHM C[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(F)F)c2c([O-])cccc21 ZINC000338223200 392902657 /nfs/dbraw/zinc/90/26/57/392902657.db2.gz YFKBDTKKUQIWEI-IEBDPFPHSA-N -1 3 281.302 3.134 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)N[C@H](C)c2ccccc2C)n1 ZINC000192722222 392859115 /nfs/dbraw/zinc/85/91/15/392859115.db2.gz WCQJECNVIWFSOJ-CHWSQXEVSA-N -1 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CGADHM FC(F)(F)c1csc(=NCC2CC(F)(F)C2)[n-]1 ZINC000488442772 393513920 /nfs/dbraw/zinc/51/39/20/393513920.db2.gz AOPGUENJDYRVGG-UHFFFAOYSA-N -1 3 272.242 3.041 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])C(=O)c1ccc(Cl)s1 ZINC000430268379 393554264 /nfs/dbraw/zinc/55/42/64/393554264.db2.gz JQFGDWXEVRUDIQ-UHFFFAOYSA-N -1 3 299.710 3.068 20 0 CGADHM C[C@@H]1CC[C@@H](N(C)C(=O)Cc2ccc([O-])cc2Cl)C1 ZINC000430450393 393568580 /nfs/dbraw/zinc/56/85/80/393568580.db2.gz UDJHPBBYZJCZRA-ZYHUDNBSSA-N -1 3 281.783 3.235 20 0 CGADHM C[C@H]1CC[C@@H](N(C)C(=O)Cc2ccc([O-])cc2Cl)C1 ZINC000430450388 393569160 /nfs/dbraw/zinc/56/91/60/393569160.db2.gz UDJHPBBYZJCZRA-CMPLNLGQSA-N -1 3 281.783 3.235 20 0 CGADHM CC(=O)c1c(C)cc(C)c(CN(C)CCCC(=O)[O-])c1C ZINC000430677439 393585211 /nfs/dbraw/zinc/58/52/11/393585211.db2.gz JSCASQSRHGRXMM-UHFFFAOYSA-N -1 3 291.391 3.111 20 0 CGADHM CC(=O)CN(CC(C)C)C(=O)c1cc([O-])c2ccccc2c1 ZINC000421922143 393639003 /nfs/dbraw/zinc/63/90/03/393639003.db2.gz PYRFCZGRBIFNPI-UHFFFAOYSA-N -1 3 299.370 3.233 20 0 CGADHM Cc1cc(C(=O)NCC(C)(C)Oc2ccccc2)ccc1[O-] ZINC000500682749 393834680 /nfs/dbraw/zinc/83/46/80/393834680.db2.gz VPVZSJWLAHHVLB-UHFFFAOYSA-N -1 3 299.370 3.288 20 0 CGADHM CC(C)C[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000443749071 393772272 /nfs/dbraw/zinc/77/22/72/393772272.db2.gz QAFARAKGAWLBIL-VIFPVBQESA-N -1 3 293.791 3.192 20 0 CGADHM Cc1cc(C(=O)NCC2(c3cccc(F)c3)CC2)ccc1[O-] ZINC000499864104 393809929 /nfs/dbraw/zinc/80/99/29/393809929.db2.gz RJUUKGZXDRYAJJ-UHFFFAOYSA-N -1 3 299.345 3.301 20 0 CGADHM CC(C)c1nnc([N-]C(=O)c2ccc(F)s2)s1 ZINC000666970749 542831051 /nfs/dbraw/zinc/83/10/51/542831051.db2.gz BZSJSDVMDZLQCE-UHFFFAOYSA-N -1 3 271.342 3.114 20 0 CGADHM CSc1ccc([O-])c(C(=O)N(C)Cc2ccoc2C)c1 ZINC000667077457 542842027 /nfs/dbraw/zinc/84/20/27/542842027.db2.gz URERFDFJZFAOBG-UHFFFAOYSA-N -1 3 291.372 3.288 20 0 CGADHM CCc1ccc([O-])c(C(=O)NC[C@H]2CCCC2(F)F)c1 ZINC000452829075 394126885 /nfs/dbraw/zinc/12/68/85/394126885.db2.gz BIXOBMLMUFLYNC-LLVKDONJSA-N -1 3 283.318 3.120 20 0 CGADHM CCOc1nc2ccc(-c3nc(C(C)(C)C)no3)cc2[n-]1 ZINC000453013429 394145895 /nfs/dbraw/zinc/14/58/95/394145895.db2.gz FRNAXOQJIRPOOG-UHFFFAOYSA-N -1 3 286.335 3.309 20 0 CGADHM CC(C)c1ccc(C(=O)N[C@H]2C[C@H](C)n3ccnc32)c([O-])c1 ZINC000456440212 394285093 /nfs/dbraw/zinc/28/50/93/394285093.db2.gz YKBBCKBQFQFKKP-FZMZJTMJSA-N -1 3 299.374 3.148 20 0 CGADHM CC1(C)CCC[C@@H](CNC(=O)Cc2ccc([O-])c(F)c2)C1 ZINC000456887685 394293264 /nfs/dbraw/zinc/29/32/64/394293264.db2.gz SXHJOGCGAMNDTJ-CYBMUJFWSA-N -1 3 293.382 3.406 20 0 CGADHM CC[C@]1(C(C)C)C[C@H]1NC(=O)Cc1ccc([O-])c(F)c1 ZINC000457232356 394334264 /nfs/dbraw/zinc/33/42/64/394334264.db2.gz IVLIIANMQAIQEQ-GDBMZVCRSA-N -1 3 279.355 3.015 20 0 CGADHM C[C@H]1CCCC[C@]1(C)NC(=O)Cc1ccc([O-])c(F)c1 ZINC000457287065 394341673 /nfs/dbraw/zinc/34/16/73/394341673.db2.gz NHDNPODCXLVUEW-ZBEGNZNMSA-N -1 3 279.355 3.159 20 0 CGADHM CSc1ccncc1[N-]C(=O)c1nc2c(s1)CCC2 ZINC000667963438 542950455 /nfs/dbraw/zinc/95/04/55/542950455.db2.gz 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/nfs/dbraw/zinc/88/01/70/397880170.db2.gz URFXPLYOMWZDCJ-VFZGTOFNSA-N -1 3 283.335 3.086 20 0 CGADHM CC(C)(C)C[C@@H]1C[C@H]1NC(=O)NCc1ccc([O-])c(F)c1 ZINC000650900322 397940353 /nfs/dbraw/zinc/94/03/53/397940353.db2.gz BUBAJJWKWCLHNV-WCQYABFASA-N -1 3 294.370 3.155 20 0 CGADHM CCc1ncsc1C(=O)[N-]c1cnccc1SC ZINC000676731184 543414094 /nfs/dbraw/zinc/41/40/94/543414094.db2.gz PWWXVENMXBTOTP-UHFFFAOYSA-N -1 3 279.390 3.075 20 0 CGADHM Cc1ccc(NC(=O)c2noc3c2CCCCC3)c([O-])c1 ZINC000122391650 292160765 /nfs/dbraw/zinc/16/07/65/292160765.db2.gz MNBZFXOAALFPAC-UHFFFAOYSA-N -1 3 286.331 3.210 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2C[C@@H](C(C)C)[C@@H]2C(C)C)c1 ZINC000456300517 292163254 /nfs/dbraw/zinc/16/32/54/292163254.db2.gz UDZVRZZQRQJMMZ-HOCLYGCPSA-N -1 3 275.392 3.453 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2c3ccccc3C[C@@H]2C)c1 ZINC000019838819 292163831 /nfs/dbraw/zinc/16/38/31/292163831.db2.gz OTXDVYSCOJILRV-LBPRGKRZSA-N -1 3 267.328 3.292 20 0 CGADHM O=C([N-]c1nc(-c2ccccc2)cs1)c1cnco1 ZINC000677504291 543451730 /nfs/dbraw/zinc/45/17/30/543451730.db2.gz RBGAVCZMKZRTJF-UHFFFAOYSA-N -1 3 271.301 3.050 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2cnccc2SC)c1 ZINC000678315325 543514443 /nfs/dbraw/zinc/51/44/43/543514443.db2.gz AAWVBABJSQIDNJ-UHFFFAOYSA-N -1 3 288.372 3.324 20 0 CGADHM CC1(C)c2ccccc2CCN1C(=O)c1ccccc1[O-] ZINC000678657872 543548985 /nfs/dbraw/zinc/54/89/85/543548985.db2.gz RZTXTXUYLAKQQL-UHFFFAOYSA-N -1 3 281.355 3.326 20 0 CGADHM COc1cc(C(=O)N2C[C@@H](C)[C@@H]2c2ccccc2)ccc1[O-] ZINC000272627731 286199096 /nfs/dbraw/zinc/19/90/96/286199096.db2.gz TXBWCNBUGGRDBZ-SJKOYZFVSA-N -1 3 297.354 3.234 20 0 CGADHM CC[C@@H](C)[C@H]1CCCCN1C(=O)c1ccc([O-])c(OC)c1 ZINC000276967669 286812590 /nfs/dbraw/zinc/81/25/90/286812590.db2.gz SVINFBQOBJPYGA-TZMCWYRMSA-N -1 3 291.391 3.442 20 0 CGADHM C[C@H]1CCC[C@H](C)N(C(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000074375393 287012593 /nfs/dbraw/zinc/01/25/93/287012593.db2.gz GYCACKYIDDEATQ-RYUDHWBXSA-N -1 3 294.370 3.251 20 0 CGADHM CC[C@H]1CCC[C@H](NC(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000077839286 287043178 /nfs/dbraw/zinc/04/31/78/287043178.db2.gz QHVONJVMGOXZOS-AAEUAGOBSA-N -1 3 294.370 3.299 20 0 CGADHM CCN(Cc1ccc(OC)cc1)C(=O)c1cccc(C)c1[O-] ZINC000078281842 287046470 /nfs/dbraw/zinc/04/64/70/287046470.db2.gz UVDZXHLRLZWDQE-UHFFFAOYSA-N -1 3 299.370 3.372 20 0 CGADHM Cc1cccc(C(=O)N(C)[C@@H]2CCc3ccccc32)c1[O-] ZINC000078684985 287051033 /nfs/dbraw/zinc/05/10/33/287051033.db2.gz LZDPOFAGAVKQPO-MRXNPFEDSA-N -1 3 281.355 3.460 20 0 CGADHM Cc1ccc(C[C@@H](C)NC(=O)c2ccc(C)cc2[O-])s1 ZINC000080247425 287064295 /nfs/dbraw/zinc/06/42/95/287064295.db2.gz SMTWBLLZUZHUNN-LLVKDONJSA-N -1 3 289.400 3.432 20 0 CGADHM Cc1cc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)ccn1 ZINC000074932134 165098628 /nfs/dbraw/zinc/09/86/28/165098628.db2.gz TYFBERULANBHRO-UHFFFAOYSA-N -1 3 290.388 3.314 20 0 CGADHM CC[C@@H]1CCCN(C(=O)c2cccc(OC)c2[O-])CC1 ZINC000079053529 165144127 /nfs/dbraw/zinc/14/41/27/165144127.db2.gz ISMZWFHVSVPREC-GFCCVEGCSA-N -1 3 277.364 3.053 20 0 CGADHM CCc1cnc([N-]C(=O)c2cc([C@H](C)CC)no2)s1 ZINC000081232031 165161113 /nfs/dbraw/zinc/16/11/13/165161113.db2.gz SUZPWQOLNUVAKE-MRVPVSSYSA-N -1 3 279.365 3.459 20 0 CGADHM Cc1ccc([O-])c(CNc2cccc(-c3cc[nH]n3)c2)n1 ZINC000091994323 165277760 /nfs/dbraw/zinc/27/77/60/165277760.db2.gz TTYTUWFMABRUPP-UHFFFAOYSA-N -1 3 280.331 3.098 20 0 CGADHM COc1cc(C)cc(C(=O)N2CCc3cccc(C)c32)c1[O-] ZINC000092227588 165286327 /nfs/dbraw/zinc/28/63/27/165286327.db2.gz FZIQOYAKEOSUJQ-UHFFFAOYSA-N -1 3 297.354 3.221 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CCC[C@H](C)[C@@H]2C)c1 ZINC000091743735 287109672 /nfs/dbraw/zinc/10/96/72/287109672.db2.gz YVYBMYUMNMSAFK-RYUDHWBXSA-N -1 3 261.365 3.215 20 0 CGADHM O=C([O-])[C@H](NCc1cccc(C2CC2)c1)c1ccccc1 ZINC000094519631 165353021 /nfs/dbraw/zinc/35/30/21/165353021.db2.gz ASNZJIJIKDSQBO-QGZVFWFLSA-N -1 3 281.355 3.480 20 0 CGADHM COc1cccc(-c2noc(-c3ccc(C)cc3[O-])n2)c1 ZINC000109037231 287127237 /nfs/dbraw/zinc/12/72/37/287127237.db2.gz 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AOWQFDZCXNGXDI-UHFFFAOYSA-N -1 3 294.354 3.108 20 0 CGADHM [O-]c1ccccc1-c1nc(-c2ccccc2F)no1 ZINC000022120035 171353356 /nfs/dbraw/zinc/35/33/56/171353356.db2.gz NHMMOINDJFDEAP-UHFFFAOYSA-N -1 3 256.236 3.248 20 0 CGADHM CC(C)CC[C@@H](C)[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000023993797 171429587 /nfs/dbraw/zinc/42/95/87/171429587.db2.gz QZOVUSWDZDJCHQ-SNVBAGLBSA-N -1 3 291.363 3.068 20 0 CGADHM Cc1ccc(C(=O)N2CC[C@@H]3CCCC[C@H]3C2)c([O-])c1 ZINC000035175087 172028529 /nfs/dbraw/zinc/02/85/29/172028529.db2.gz IWGYXISWBUABDX-KBPBESRZSA-N -1 3 273.376 3.353 20 0 CGADHM CCc1cc(=O)[n-]c(CSCCCCCF)n1 ZINC000285337447 196254776 /nfs/dbraw/zinc/25/47/76/196254776.db2.gz VAAZNZLSCMWTLP-UHFFFAOYSA-N -1 3 258.362 3.118 20 0 CGADHM C[C@H]1CCN(C(=O)NCc2ccc([O-])c(F)c2)C[C@@H](C)C1 ZINC000127889995 287298111 /nfs/dbraw/zinc/29/81/11/287298111.db2.gz FXRBFSZHSQAJAO-RYUDHWBXSA-N -1 3 294.370 3.109 20 0 CGADHM Cc1cc(C)cc(OCCC(=O)Nc2ccccc2[O-])c1 ZINC000127951829 287299714 /nfs/dbraw/zinc/29/97/14/287299714.db2.gz QQGXBYBZTRMNBS-UHFFFAOYSA-N -1 3 285.343 3.417 20 0 CGADHM Cc1ccc(C)c(C(=O)Nc2cccc([O-])c2F)c1 ZINC000128335634 287308894 /nfs/dbraw/zinc/30/88/94/287308894.db2.gz LUZMSVXTVROUKS-UHFFFAOYSA-N -1 3 259.280 3.400 20 0 CGADHM CCCc1ncc(C(=O)Nc2cccc([O-])c2F)s1 ZINC000128428614 287310868 /nfs/dbraw/zinc/31/08/68/287310868.db2.gz MIPDUAIBAHQSAN-UHFFFAOYSA-N -1 3 280.324 3.193 20 0 CGADHM O=C(CCc1ccccc1)Nc1cccc([O-])c1F ZINC000128334039 287309052 /nfs/dbraw/zinc/30/90/52/287309052.db2.gz ZCYVBDZKCYEDQE-UHFFFAOYSA-N -1 3 259.280 3.103 20 0 CGADHM CCc1ccccc1C(=O)NCc1ccc([O-])c(F)c1 ZINC000129146959 287325175 /nfs/dbraw/zinc/32/51/75/287325175.db2.gz BBBGDPKJKUJAAX-UHFFFAOYSA-N -1 3 273.307 3.024 20 0 CGADHM Cc1cc(C)cc(C(=O)Nc2cccc([O-])c2F)c1 ZINC000129211027 287326624 /nfs/dbraw/zinc/32/66/24/287326624.db2.gz LWKPRVXZHSLMJT-UHFFFAOYSA-N -1 3 259.280 3.400 20 0 CGADHM Cc1cccc2nc(-c3cccc(F)c3)[n-]c(=O)c12 ZINC000048606467 416454669 /nfs/dbraw/zinc/45/46/69/416454669.db2.gz UHKBISMEPMUXDS-UHFFFAOYSA-N -1 3 254.264 3.038 20 0 CGADHM C[C@H](NCc1cccc([O-])c1Br)C1CCC1 ZINC000315215901 416537090 /nfs/dbraw/zinc/53/70/90/416537090.db2.gz GXQRZOSDATVAAC-VIFPVBQESA-N -1 3 284.197 3.433 20 0 CGADHM Cc1cc(N2CC[C@@H](C(=O)[O-])[C@H](C)C2)c2ccccc2n1 ZINC000314848138 416537184 /nfs/dbraw/zinc/53/71/84/416537184.db2.gz MGQNMEQPUKYYAY-DGCLKSJQSA-N -1 3 284.359 3.090 20 0 CGADHM C[C@@H](NCC1CCC(C)CC1)c1ncc(C(=O)[O-])s1 ZINC000315255283 416538348 /nfs/dbraw/zinc/53/83/48/416538348.db2.gz BJJUUZUXNIMKOZ-HSOILSAZSA-N -1 3 282.409 3.318 20 0 CGADHM CC[C@@H]1CO[C@@H](CC)CN1C(=O)c1cc([O-])ccc1Cl ZINC000403799277 416550969 /nfs/dbraw/zinc/55/09/69/416550969.db2.gz DWFUSBYKXFFLHZ-PWSUYJOCSA-N -1 3 297.782 3.075 20 0 CGADHM CC(C)c1ccc(C(=O)N2CC[C@@H](C)[C@H](F)C2)c([O-])c1 ZINC000679263001 543610920 /nfs/dbraw/zinc/61/09/20/543610920.db2.gz WUKPOTLXMVICPE-BXUZGUMPSA-N -1 3 279.355 3.336 20 0 CGADHM O=C(c1cccc([O-])c1)N1CC[C@@H]1c1cccc(F)c1 ZINC000679635313 543652487 /nfs/dbraw/zinc/65/24/87/543652487.db2.gz GPOFJXFDVGZHPL-OAHLLOKOSA-N -1 3 271.291 3.119 20 0 CGADHM C[C@H]1CC[C@H](C(F)(F)F)CN1C(=O)c1cccc([O-])c1 ZINC000679649096 543653174 /nfs/dbraw/zinc/65/31/74/543653174.db2.gz QNNTVEQUIHARCD-ONGXEEELSA-N -1 3 287.281 3.195 20 0 CGADHM Cc1ccc(-c2cc(-c3nc([C@H]4C[C@@H]4C)no3)n[n-]2)o1 ZINC000680770024 543732888 /nfs/dbraw/zinc/73/28/88/543732888.db2.gz AORFKUQGQXCTOI-CBAPKCEASA-N -1 3 270.292 3.152 20 0 CGADHM Cc1ccc(-c2cc(-c3nc([C@H]4C[C@@H]4C)no3)[n-]n2)o1 ZINC000680770024 543732892 /nfs/dbraw/zinc/73/28/92/543732892.db2.gz AORFKUQGQXCTOI-CBAPKCEASA-N -1 3 270.292 3.152 20 0 CGADHM Cc1cccc([O-])c1NC(=O)COc1cccc(Cl)c1 ZINC000536739791 288500602 /nfs/dbraw/zinc/50/06/02/288500602.db2.gz WYZBUPXGUPMIOQ-UHFFFAOYSA-N -1 3 291.734 3.372 20 0 CGADHM Cc1cccc(N2CCC(C(=O)c3ccc([O-])cc3)CC2)n1 ZINC000682466850 543848119 /nfs/dbraw/zinc/84/81/19/543848119.db2.gz WYHZVIZIYQRRPP-UHFFFAOYSA-N 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CYJOGZDZNVTPEN-QWRGUYRKSA-N -1 3 265.328 3.287 20 0 CGADHM Cc1cc([C@H](C)N2CCC[C@H](C)C2)oc1C(=O)[O-] ZINC000652366663 418958471 /nfs/dbraw/zinc/95/84/71/418958471.db2.gz HBGHMXBPVWWVNZ-ONGXEEELSA-N -1 3 251.326 3.079 20 0 CGADHM O=C([O-])c1csc(CN(C2CC2)C2CCCCC2)n1 ZINC000652401314 418961144 /nfs/dbraw/zinc/96/11/44/418961144.db2.gz YTZWOFTVACCXFZ-UHFFFAOYSA-N -1 3 280.393 3.138 20 0 CGADHM O=C([O-])c1ccoc1CN1CCC[C@H](Cc2ccccc2)C1 ZINC000652410488 418964738 /nfs/dbraw/zinc/96/47/38/418964738.db2.gz RSQVEIKLKVQTEH-OAHLLOKOSA-N -1 3 299.370 3.433 20 0 CGADHM c1cc(-c2noc(C3CCC4(CC4)CC3)n2)cc2n[n-]nc12 ZINC000664878707 419019513 /nfs/dbraw/zinc/01/95/13/419019513.db2.gz SYFAVNMDANJHAA-UHFFFAOYSA-N -1 3 295.346 3.446 20 0 CGADHM O=C(Nc1c([O-])cccc1Cl)[C@@H]1CC12CCC2 ZINC000655110427 419022333 /nfs/dbraw/zinc/02/23/33/419022333.db2.gz UXPYMPFPQLWLQI-QMMMGPOBSA-N -1 3 251.713 3.174 20 0 CGADHM Cc1cc(N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)c2ccccc2n1 ZINC000652537713 418978208 /nfs/dbraw/zinc/97/82/08/418978208.db2.gz VKKAJTFDWSQHCP-LSDHHAIUSA-N -1 3 296.370 3.090 20 0 CGADHM CC[C@@H](CC(F)F)CN1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000659788314 418989512 /nfs/dbraw/zinc/98/95/12/418989512.db2.gz HCSKDDSVGYLBKZ-FZMZJTMJSA-N -1 3 297.345 3.352 20 0 CGADHM C[C@H](CC(=O)[O-])N(C)Cc1cc(Cl)ccc1Cl ZINC000659791665 418991910 /nfs/dbraw/zinc/99/19/10/418991910.db2.gz LMHHGNGGGVVYNO-MRVPVSSYSA-N -1 3 276.163 3.288 20 0 CGADHM C[C@@H](CC(=O)[O-])N(C)Cc1cc(Cl)ccc1Cl ZINC000659791672 418992405 /nfs/dbraw/zinc/99/24/05/418992405.db2.gz LMHHGNGGGVVYNO-QMMMGPOBSA-N -1 3 276.163 3.288 20 0 CGADHM C[C@H]1CN(CCCCCC(=O)[O-])CC2(CCCCC2)O1 ZINC000656192104 419148511 /nfs/dbraw/zinc/14/85/11/419148511.db2.gz LKXRAQMVYBRZCO-AWEZNQCLSA-N -1 3 283.412 3.055 20 0 CGADHM CCOc1cc(CN2CCCOC[C@H]2C)cc(Cl)c1[O-] ZINC000656441943 419171110 /nfs/dbraw/zinc/17/11/10/419171110.db2.gz NHFHBIMUZBRRJV-LLVKDONJSA-N -1 3 299.798 3.055 20 0 CGADHM O=C([O-])CCCCCNCc1cccc(OC2CC2)c1F ZINC000656564130 419183280 /nfs/dbraw/zinc/18/32/80/419183280.db2.gz BFMMOXSHXUQETL-UHFFFAOYSA-N -1 3 295.354 3.102 20 0 CGADHM O=C([O-])C[C@@H](NCc1ccccc1C1CC1)c1ccncc1 ZINC000656569283 419184686 /nfs/dbraw/zinc/18/46/86/419184686.db2.gz NLEJTNNCVAWRPS-QGZVFWFLSA-N -1 3 296.370 3.265 20 0 CGADHM CCCc1cc(=O)[n-]c(C(=Cc2cnn3c2CCC3)CC)n1 ZINC000656614378 419186878 /nfs/dbraw/zinc/18/68/78/419186878.db2.gz XZTBPYJOAORDSR-FMIVXFBMSA-N -1 3 298.390 3.228 20 0 CGADHM O=C([O-])c1sccc1CN1CCC(c2ccco2)CC1 ZINC000656757823 419210549 /nfs/dbraw/zinc/21/05/49/419210549.db2.gz SXUNZNQFPDKKJE-UHFFFAOYSA-N -1 3 291.372 3.419 20 0 CGADHM CCC1(CC)CCCN(Cc2occc2C(=O)[O-])C1 ZINC000656763873 419212518 /nfs/dbraw/zinc/21/25/18/419212518.db2.gz SHITZZLJPWOHFD-UHFFFAOYSA-N -1 3 265.353 3.380 20 0 CGADHM Cc1nc(CC2CC2)oc1C(=O)Nc1ccc(C)cc1[O-] ZINC000356082627 228114520 /nfs/dbraw/zinc/11/45/20/228114520.db2.gz AOPQJKSYNBREHS-UHFFFAOYSA-N -1 3 286.331 3.202 20 0 CGADHM CC1(C)[C@H](CNCc2cccc([O-])c2Cl)C1(F)F ZINC000657739676 419334399 /nfs/dbraw/zinc/33/43/99/419334399.db2.gz VSOLQDCUYWBVJM-JTQLQIEISA-N -1 3 275.726 3.427 20 0 CGADHM CC(C)(C)C[C@@H](NCc1ccc(F)c(F)c1F)C(=O)[O-] ZINC000663261080 419536586 /nfs/dbraw/zinc/53/65/86/419536586.db2.gz XZCWCOFQIKKXDV-SNVBAGLBSA-N -1 3 289.297 3.083 20 0 CGADHM CCOc1cccc(NC(=O)c2ccc([O-])c(C)c2)c1 ZINC000226716979 287635811 /nfs/dbraw/zinc/63/58/11/287635811.db2.gz YMNQEKRDBBXIMJ-UHFFFAOYSA-N -1 3 271.316 3.352 20 0 CGADHM O=C(/C=C/c1nc2ccccc2o1)Nc1cc(F)ccc1[O-] ZINC000179645889 260060294 /nfs/dbraw/zinc/06/02/94/260060294.db2.gz UNZYYJNYDXBEIJ-BQYQJAHWSA-N -1 3 298.273 3.324 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)Nc1cccc(OC(F)F)c1 ZINC000291684603 263124763 /nfs/dbraw/zinc/12/47/63/263124763.db2.gz CTHUPBSQRVYLGC-VIFPVBQESA-N -1 3 288.294 3.387 20 0 CGADHM O=C(NCCCSc1ccccc1)c1ccccc1[O-] ZINC000031352465 270026919 /nfs/dbraw/zinc/02/69/19/270026919.db2.gz ZULORUKMZNDPJV-UHFFFAOYSA-N -1 3 287.384 3.304 20 0 CGADHM O=C(/C=C/c1cccc(F)c1)Nc1ccc([O-])cc1F ZINC000183265359 270055269 /nfs/dbraw/zinc/05/52/69/270055269.db2.gz GVVFMVYLTJRXDZ-QPJJXVBHSA-N -1 3 275.254 3.322 20 0 CGADHM Cc1ccc(-c2nnc(NC(=O)C[C@H]3CCC[C@H]3C)[n-]2)o1 ZINC000184038755 270057199 /nfs/dbraw/zinc/05/71/99/270057199.db2.gz IAFFKCHNBXMAMV-MWLCHTKSSA-N -1 3 288.351 3.138 20 0 CGADHM Cc1ccc(-c2n[n-]c(NC(=O)C[C@H]3CCC[C@H]3C)n2)o1 ZINC000184038755 270057200 /nfs/dbraw/zinc/05/72/00/270057200.db2.gz IAFFKCHNBXMAMV-MWLCHTKSSA-N -1 3 288.351 3.138 20 0 CGADHM Cc1ccc(-c2nc(NC(=O)C[C@H]3CCC[C@H]3C)n[n-]2)o1 ZINC000184038755 270057201 /nfs/dbraw/zinc/05/72/01/270057201.db2.gz IAFFKCHNBXMAMV-MWLCHTKSSA-N -1 3 288.351 3.138 20 0 CGADHM COc1cccc2c1CC[C@H]2NCc1cc([O-])cc(F)c1 ZINC000185575165 270063345 /nfs/dbraw/zinc/06/33/45/270063345.db2.gz CWSVMIZWHXGFHP-MRXNPFEDSA-N -1 3 287.334 3.317 20 0 CGADHM Cc1ccc(CNCc2cc([O-])cc(F)c2)cc1F ZINC000185453935 270062656 /nfs/dbraw/zinc/06/26/56/270062656.db2.gz OPZIMKJXFZVNSH-UHFFFAOYSA-N -1 3 263.287 3.269 20 0 CGADHM CCC[C@H](NCc1cc([O-])cc(F)c1)C(=O)OC(C)(C)C ZINC000185629004 270063561 /nfs/dbraw/zinc/06/35/61/270063561.db2.gz FXKAXACELDJHHT-AWEZNQCLSA-N -1 3 297.370 3.131 20 0 CGADHM CC[C@@H](C)N(C)Cc1cccc([O-])c1Br ZINC000316214400 270092791 /nfs/dbraw/zinc/09/27/91/270092791.db2.gz WBJBVOWOMZPWSJ-SECBINFHSA-N -1 3 272.186 3.385 20 0 CGADHM [O-]c1cccc(CNC2Cc3ccccc3C2)c1Cl ZINC000328492054 270095363 /nfs/dbraw/zinc/09/53/63/270095363.db2.gz XYSBEEGGNSFZLY-UHFFFAOYSA-N -1 3 273.763 3.303 20 0 CGADHM CCCC[C@@H](C(=O)[O-])N1CCc2[nH]c3ccccc3c2C1 ZINC000520823362 270099345 /nfs/dbraw/zinc/09/93/45/270099345.db2.gz BWAOBPLWOLXNAW-INIZCTEOSA-N -1 3 286.375 3.169 20 0 CGADHM Cc1cc(C)cc(-c2cc(=NC(=O)C(C)(C)C)[nH][n-]2)c1 ZINC000522635460 270106854 /nfs/dbraw/zinc/10/68/54/270106854.db2.gz KXKBHGRVCIDIKC-UHFFFAOYSA-N -1 3 271.364 3.100 20 0 CGADHM CO[C@@H]1CCC[C@@H](CC(=O)Nc2cccc([O-])c2F)C1 ZINC000526009637 270122477 /nfs/dbraw/zinc/12/24/77/270122477.db2.gz VJYVCIANOHDYRP-GHMZBOCLSA-N -1 3 281.327 3.065 20 0 CGADHM CCC[C@H](OCC)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000528876480 270175050 /nfs/dbraw/zinc/17/50/50/270175050.db2.gz MXRGTWSBTXOQIO-LBPRGKRZSA-N -1 3 271.744 3.189 20 0 CGADHM O=C([N-]OC1CCCC1)[C@@H]1CC[C@H]1c1ccc(F)cc1 ZINC000528963256 270176445 /nfs/dbraw/zinc/17/64/45/270176445.db2.gz BSTUVDZMDLUOTM-LSDHHAIUSA-N -1 3 277.339 3.310 20 0 CGADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1ccc2occc2c1 ZINC000529277114 270179221 /nfs/dbraw/zinc/17/92/21/270179221.db2.gz AEKHLJXDRIKBHP-CYBMUJFWSA-N -1 3 276.292 3.013 20 0 CGADHM O=C([N-]O[C@@H]1CCCCO1)Nc1ccc2occc2c1 ZINC000529277114 270179222 /nfs/dbraw/zinc/17/92/22/270179222.db2.gz AEKHLJXDRIKBHP-CYBMUJFWSA-N -1 3 276.292 3.013 20 0 CGADHM Cc1scnc1[N-]C(=O)c1coc(C2CCCC2)n1 ZINC000529545139 270183503 /nfs/dbraw/zinc/18/35/03/270183503.db2.gz OFTZAKXMFNBJIH-UHFFFAOYSA-N -1 3 277.349 3.349 20 0 CGADHM O=C(N[C@@H](c1ccccn1)C1CCC1)c1ccccc1[O-] ZINC000529826507 270189323 /nfs/dbraw/zinc/18/93/23/270189323.db2.gz QEIBMMRBKUYFPJ-MRXNPFEDSA-N -1 3 282.343 3.058 20 0 CGADHM CC[C@@H](NC(=O)Cc1cncc([O-])c1)c1cc(C)ccc1C ZINC000530096158 270194164 /nfs/dbraw/zinc/19/41/64/270194164.db2.gz JVMFAWFMBIJDKL-QGZVFWFLSA-N -1 3 298.386 3.214 20 0 CGADHM Cc1cccc(C)c1CN1CCc2occc2[C@H]1C(=O)[O-] ZINC000530167362 270195228 /nfs/dbraw/zinc/19/52/28/270195228.db2.gz VXGROOKNARTEFN-INIZCTEOSA-N -1 3 285.343 3.080 20 0 CGADHM O=C([O-])C[C@H]1CCCN(CCc2c(F)cccc2Cl)C1 ZINC000532711709 270218648 /nfs/dbraw/zinc/21/86/48/270218648.db2.gz DAWADDWOTQBPJW-LLVKDONJSA-N -1 3 299.773 3.208 20 0 CGADHM O=C(/C=C\SCc1ccco1)Nc1ccccc1[O-] ZINC000254915880 287851633 /nfs/dbraw/zinc/85/16/33/287851633.db2.gz GQEHGWWZLSFIDR-CLFYSBASSA-N -1 3 275.329 3.371 20 0 CGADHM O=C(/C=C\c1ccc(Cl)s1)[N-]OCc1cccnc1 ZINC000255130736 287858526 /nfs/dbraw/zinc/85/85/26/287858526.db2.gz DJEQEIPWPPRWOW-XQRVVYSFSA-N -1 3 294.763 3.058 20 0 CGADHM O=C(/C=C\c1ccc2c(c1)CCO2)Nc1cccc([O-])c1F ZINC000255167965 287859867 /nfs/dbraw/zinc/85/98/67/287859867.db2.gz FSVWVJUDSPYGII-ALCCZGGFSA-N -1 3 299.301 3.118 20 0 CGADHM CC(=O)c1ccc(C(=O)N2C[C@H](C)C[C@@H](C)[C@@H]2C)cc1[O-] ZINC000408462748 277108969 /nfs/dbraw/zinc/10/89/69/277108969.db2.gz ANDJIPKGQLGQMJ-UTUOFQBUSA-N -1 3 289.375 3.101 20 0 CGADHM COc1ccccc1Cc1noc(-c2cc(C)ccc2[O-])n1 ZINC000315760900 287944169 /nfs/dbraw/zinc/94/41/69/287944169.db2.gz YQFUZXJAXBXKNM-UHFFFAOYSA-N -1 3 296.326 3.350 20 0 CGADHM COc1cc(C(=O)N2CC[C@]3(CC[C@H](C)C3)C2)ccc1[O-] ZINC000334904589 277369024 /nfs/dbraw/zinc/36/90/24/277369024.db2.gz XTIUVOUAFHEYAE-SJCJKPOMSA-N -1 3 289.375 3.053 20 0 CGADHM C[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2C(F)F)c2c([O-])cccc21 ZINC000338223201 277745723 /nfs/dbraw/zinc/74/57/23/277745723.db2.gz YFKBDTKKUQIWEI-MIMYLULJSA-N -1 3 281.302 3.134 20 0 CGADHM CC(=O)c1ccc(C(=O)N2C[C@@H](C)CCC[C@H]2C)cc1[O-] ZINC000408468870 278245697 /nfs/dbraw/zinc/24/56/97/278245697.db2.gz RQCPSRIIQAMXFT-NWDGAFQWSA-N -1 3 289.375 3.246 20 0 CGADHM CC[C@@H]1CN(C(=O)c2cc([O-])ccc2Cl)C[C@H](CC)O1 ZINC000398763701 288047919 /nfs/dbraw/zinc/04/79/19/288047919.db2.gz FXVQPCHSAWUKPJ-TXEJJXNPSA-N -1 3 297.782 3.075 20 0 CGADHM Cc1cc2c([n-]c(-c3ccc(Cl)cn3)nc2=O)s1 ZINC000445652480 278755510 /nfs/dbraw/zinc/75/55/10/278755510.db2.gz JYNJYSBWHSRRPA-UHFFFAOYSA-N -1 3 277.736 3.421 20 0 CGADHM C[C@@H]1C[C@H](C(=O)N2CC[C@H](C)c3cccc([O-])c32)CCO1 ZINC000274356727 278942795 /nfs/dbraw/zinc/94/27/95/278942795.db2.gz JXHRXPSUJFYODW-YNEHKIRRSA-N -1 3 289.375 3.048 20 0 CGADHM CCCC1(c2nc(-c3ccc4n[n-]nc4c3)no2)CCC1 ZINC000521882408 288142027 /nfs/dbraw/zinc/14/20/27/288142027.db2.gz HSJRBVHXFXAQJJ-UHFFFAOYSA-N -1 3 283.335 3.230 20 0 CGADHM CCc1ccc(C(=O)N(CC2CC2)C(C)C)c([O-])c1 ZINC000527045559 288156060 /nfs/dbraw/zinc/15/60/60/288156060.db2.gz PSEHOSAAEYGXKR-UHFFFAOYSA-N -1 3 261.365 3.215 20 0 CGADHM O=C(Nc1ccc([O-])c2ccccc12)C(=O)c1ccccc1 ZINC000527484426 288171767 /nfs/dbraw/zinc/17/17/67/288171767.db2.gz UIJVMHKBQGVMHP-UHFFFAOYSA-N -1 3 291.306 3.367 20 0 CGADHM CC(C)[C@@H](CNCc1c(Cl)cccc1Cl)C(=O)[O-] ZINC000277531115 279851757 /nfs/dbraw/zinc/85/17/57/279851757.db2.gz ZGCZLEWPBSENDA-SECBINFHSA-N -1 3 290.190 3.440 20 0 CGADHM O=S(=O)([N-][C@@H]1CCCCc2ccccc21)c1ccco1 ZINC000527326690 288166989 /nfs/dbraw/zinc/16/69/89/288166989.db2.gz XOPZRAKQORDZMK-CQSZACIVSA-N -1 3 291.372 3.026 20 0 CGADHM Cc1ccc(NC(=O)[C@@H]2CC(C)(C)OC2(C)C)c([O-])c1 ZINC000527660328 288184236 /nfs/dbraw/zinc/18/42/36/288184236.db2.gz UTVHRCATLNIRLR-NSHDSACASA-N -1 3 277.364 3.233 20 0 CGADHM Cc1cc(C(=O)N[C@@H]2C[C@@H](C)Oc3ccccc32)ccc1[O-] ZINC000296209759 280356601 /nfs/dbraw/zinc/35/66/01/280356601.db2.gz OWYJFBXQPLZZAT-IUODEOHRSA-N -1 3 297.354 3.343 20 0 CGADHM Cc1ccc(NC(=O)c2ccc(C(C)C)cn2)c([O-])c1 ZINC000436898200 280910940 /nfs/dbraw/zinc/91/09/40/280910940.db2.gz FQJAZWXQQBROEE-UHFFFAOYSA-N -1 3 270.332 3.471 20 0 CGADHM CCc1c(C)nc2ccccc2c1N1CCC[C@H](C(=O)[O-])C1 ZINC000263395176 288511467 /nfs/dbraw/zinc/51/14/67/288511467.db2.gz HJCOMGWDRZYJDJ-ZDUSSCGKSA-N -1 3 298.386 3.407 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2C[C@H](C)[C@@H](C)[C@@H]2C)c1 ZINC000416326170 288541649 /nfs/dbraw/zinc/54/16/49/288541649.db2.gz ZQIJXNOBSPOLOE-TUAOUCFPSA-N -1 3 261.365 3.071 20 0 CGADHM CCc1cccc(C(=O)N2CCCC[C@@H]2CC)c1[O-] ZINC000537649887 288542114 /nfs/dbraw/zinc/54/21/14/288542114.db2.gz LSUONWMYHHNRKC-ZDUSSCGKSA-N -1 3 261.365 3.359 20 0 CGADHM CS[C@@H](C)CCC(=O)Nc1cccc([O-])c1F ZINC000537997882 288558260 /nfs/dbraw/zinc/55/82/60/288558260.db2.gz NMWNTCQQLXOBMZ-QMMMGPOBSA-N -1 3 257.330 3.002 20 0 CGADHM CC(C)[C@@H]1C[C@@H](CC(=O)Nc2cccc([O-])c2F)CCO1 ZINC000543850568 288822790 /nfs/dbraw/zinc/82/27/90/288822790.db2.gz ZCOQSWLOLDOVGE-FZMZJTMJSA-N -1 3 295.354 3.311 20 0 CGADHM CC(=O)c1cccc(NC(=O)CCc2cccs2)c1[O-] ZINC000552287529 289178871 /nfs/dbraw/zinc/17/88/71/289178871.db2.gz VFQGUIAFRVLOQF-UHFFFAOYSA-N -1 3 289.356 3.228 20 0 CGADHM Cc1nc(C)c(C(=O)Nc2c([O-])cccc2Cl)s1 ZINC000552432678 289188830 /nfs/dbraw/zinc/18/88/30/289188830.db2.gz WTHDUENFLBNNRN-UHFFFAOYSA-N -1 3 282.752 3.371 20 0 CGADHM COc1ccc(C(=O)Nc2c([O-])cccc2Cl)cc1F ZINC000552434515 289188887 /nfs/dbraw/zinc/18/88/87/289188887.db2.gz NILSQRNVCCWLNI-UHFFFAOYSA-N -1 3 295.697 3.446 20 0 CGADHM CCCC[C@H](CC)CC(=O)N=c1cc2ccccn2[n-]1 ZINC000553324037 289219317 /nfs/dbraw/zinc/21/93/17/289219317.db2.gz CXYONYFJJPSGPF-ZDUSSCGKSA-N -1 3 273.380 3.301 20 0 CGADHM COc1cccc2c1n[n-]c2C(=O)Nc1cc(C)cc(C)c1 ZINC000554775368 289308740 /nfs/dbraw/zinc/30/87/40/289308740.db2.gz CPFLQPWXAHDVDT-UHFFFAOYSA-N -1 3 295.342 3.441 20 0 CGADHM COc1cccc2c(C(=O)Nc3cc(C)cc(C)c3)n[n-]c21 ZINC000554775368 289308742 /nfs/dbraw/zinc/30/87/42/289308742.db2.gz CPFLQPWXAHDVDT-UHFFFAOYSA-N -1 3 295.342 3.441 20 0 CGADHM C[C@H](C(=O)Nc1cccc(Cl)c1[O-])N1CCCCCC1 ZINC000173473381 289382309 /nfs/dbraw/zinc/38/23/09/289382309.db2.gz OOYQARUSJSJDHS-LLVKDONJSA-N -1 3 296.798 3.249 20 0 CGADHM CC[C@H](C)[C@@H](C)C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000558411606 289493167 /nfs/dbraw/zinc/49/31/67/289493167.db2.gz JKMUGTBXRXOAQD-VHSXEESVSA-N -1 3 263.337 3.216 20 0 CGADHM C[C@H](CCC(C)(C)C)C(=O)N=c1cc2ccccn2[n-]1 ZINC000561154656 289626985 /nfs/dbraw/zinc/62/69/85/289626985.db2.gz QOOGYOCQIQZBIX-GFCCVEGCSA-N -1 3 273.380 3.157 20 0 CGADHM C[C@@H](NCc1ncccc1[O-])c1ccccc1OC(F)F ZINC000561951970 289660933 /nfs/dbraw/zinc/66/09/33/289660933.db2.gz XTRWPTDWYWGVEX-SNVBAGLBSA-N -1 3 294.301 3.239 20 0 CGADHM O=C(CCC(F)(F)F)N1CCCc2cccc([O-])c21 ZINC000088833880 295470319 /nfs/dbraw/zinc/47/03/19/295470319.db2.gz DSTVRLJBUQNUMX-UHFFFAOYSA-N -1 3 273.254 3.014 20 0 CGADHM Cc1occc1C(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000186254159 327686236 /nfs/dbraw/zinc/68/62/36/327686236.db2.gz PZEYEKMVYPSFSX-SNVBAGLBSA-N -1 3 271.316 3.448 20 0 CGADHM C[C@H]1CCN(C(=O)CCc2ccoc2)c2c([O-])cccc21 ZINC000186272647 327686410 /nfs/dbraw/zinc/68/64/10/327686410.db2.gz KPZMNSSYHYGPET-LBPRGKRZSA-N -1 3 285.343 3.458 20 0 CGADHM C[C@@H](Oc1ccccc1)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000153500534 321721255 /nfs/dbraw/zinc/72/12/55/321721255.db2.gz QQYBYFKVKFTCCM-SNVBAGLBSA-N -1 3 291.734 3.452 20 0 CGADHM C[C@@H]1CCN(C(=O)Cc2ccc([O-])cc2Cl)C[C@@H]1C ZINC000153756743 321726638 /nfs/dbraw/zinc/72/66/38/321726638.db2.gz LNNPVUGVFNBXDQ-MNOVXSKESA-N -1 3 281.783 3.093 20 0 CGADHM [O-]c1ccc(Br)c(-c2nc3cc[nH]cc-3n2)c1 ZINC000154616901 321746116 /nfs/dbraw/zinc/74/61/16/321746116.db2.gz RKXCVOULQDMDRR-UHFFFAOYSA-N -1 3 290.120 3.093 20 0 CGADHM CC(C)(C(=O)Nc1cc(F)ccc1[O-])c1ccccc1 ZINC000156512523 321781897 /nfs/dbraw/zinc/78/18/97/321781897.db2.gz VNLBRCVCEGCKNQ-UHFFFAOYSA-N -1 3 273.307 3.448 20 0 CGADHM CCC[C@H](CC)S(=O)(=O)[N-]c1cnn([C@@H](C)C2CC2)c1 ZINC000565053521 322057570 /nfs/dbraw/zinc/05/75/70/322057570.db2.gz AEYDDDZXKGYPDJ-FZMZJTMJSA-N -1 3 299.440 3.175 20 0 CGADHM Cc1ccccc1C[C@H](C)N(C)Cc1cc(C(=O)[O-])co1 ZINC000565108066 322061145 /nfs/dbraw/zinc/06/11/45/322061145.db2.gz UJBIOGSWYSFYRB-ZDUSSCGKSA-N -1 3 287.359 3.349 20 0 CGADHM O=C(Cc1cncc([O-])c1)N1CCCC[C@@H]1c1ccccc1 ZINC000565211488 322066695 /nfs/dbraw/zinc/06/66/95/322066695.db2.gz CAZKUKFKDVBCKR-QGZVFWFLSA-N -1 3 296.370 3.084 20 0 CGADHM O=C([O-])c1ccc2c(c1)CN([C@@H]1C[C@@H]1c1ccccc1)CC2 ZINC000565251028 322070192 /nfs/dbraw/zinc/07/01/92/322070192.db2.gz SKFREIOZJQPWDO-QZTJIDSGSA-N -1 3 293.366 3.299 20 0 CGADHM CCN(CC1CC1)[C@@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000565310694 322072802 /nfs/dbraw/zinc/07/28/02/322072802.db2.gz ZSZCEVLOZRCLKA-CYBMUJFWSA-N -1 3 285.746 3.337 20 0 CGADHM O=c1cc(C=Cc2ccc3c(c2)OCCO3)nc(C2CC2)[n-]1 ZINC000565556960 322082416 /nfs/dbraw/zinc/08/24/16/322082416.db2.gz AQNKHBPBKNCHOI-ORCRQEGFSA-N -1 3 296.326 3.001 20 0 CGADHM CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)Cc1cncc([O-])c1 ZINC000565905042 322096742 /nfs/dbraw/zinc/09/67/42/322096742.db2.gz QTTAJVDTYCLMCB-HOCLYGCPSA-N -1 3 290.407 3.051 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)C[C@H](C)n2ccnc2)c1[O-] ZINC000566338602 322116835 /nfs/dbraw/zinc/11/68/35/322116835.db2.gz ZSCCIKSWQCRFHT-JTQLQIEISA-N -1 3 293.754 3.140 20 0 CGADHM CCOC[C@H]1CCCN([C@H](C)c2cc(C)c(C(=O)[O-])o2)C1 ZINC000566359034 322117718 /nfs/dbraw/zinc/11/77/18/322117718.db2.gz OMFOTFUNFCQDSD-OLZOCXBDSA-N -1 3 295.379 3.096 20 0 CGADHM Cc1ccc(C[C@@H](C)N(C)Cc2ccc(C(=O)[O-])cn2)cc1 ZINC000566362983 322118744 /nfs/dbraw/zinc/11/87/44/322118744.db2.gz XXZJQDNMNVUERB-CQSZACIVSA-N -1 3 298.386 3.151 20 0 CGADHM Cc1noc(C)c1CSCc1cc(=O)[n-]c(C2CC2)n1 ZINC000566845645 322140380 /nfs/dbraw/zinc/14/03/80/322140380.db2.gz UCBOUDBVGARVSZ-UHFFFAOYSA-N -1 3 291.376 3.098 20 0 CGADHM C(=CC1CCCC1)c1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000566917616 322143106 /nfs/dbraw/zinc/14/31/06/322143106.db2.gz DVVNIRFKOWHLQB-YVMONPNESA-N -1 3 281.319 3.211 20 0 CGADHM CC(C)C(C)(C)NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000567297499 322157941 /nfs/dbraw/zinc/15/79/41/322157941.db2.gz SGQMRCKYZWIOBG-UHFFFAOYSA-N -1 3 281.371 3.405 20 0 CGADHM Cc1ccc(C[C@H](C)N(C)Cc2occc2C(=O)[O-])cc1 ZINC000567359462 322160451 /nfs/dbraw/zinc/16/04/51/322160451.db2.gz VWRSMKWKPFLRED-ZDUSSCGKSA-N -1 3 287.359 3.349 20 0 CGADHM C[C@H](CC1CCCCC1)c1nc(-c2cc(=O)[n-]cn2)no1 ZINC000567854058 322180234 /nfs/dbraw/zinc/18/02/34/322180234.db2.gz XYEWCGIHGZEGJY-SNVBAGLBSA-N -1 3 288.351 3.306 20 0 CGADHM Cc1c2ccccc2nc(CN2CCCCC2)c1C(=O)[O-] ZINC000568066781 322191820 /nfs/dbraw/zinc/19/18/20/322191820.db2.gz BRGMAHRBUBFKLM-UHFFFAOYSA-N -1 3 284.359 3.227 20 0 CGADHM C[C@@H]1CN([C@H](C(=O)[O-])c2ccccc2)Cc2ccccc2O1 ZINC000568290990 322204021 /nfs/dbraw/zinc/20/40/21/322204021.db2.gz XNQNVECECKVSLW-DYVFJYSZSA-N -1 3 297.354 3.095 20 0 CGADHM CCN(Cc1ccccc1Cl)CC1(C(=O)[O-])CC1 ZINC000569611057 322252037 /nfs/dbraw/zinc/25/20/37/322252037.db2.gz BSXPEVXPLOJUAR-UHFFFAOYSA-N -1 3 267.756 3.027 20 0 CGADHM COc1ccc(Cl)c(CN2C[C@H](C(=O)[O-])CC[C@@H]2C)c1 ZINC000569814458 322257771 /nfs/dbraw/zinc/25/77/71/322257771.db2.gz XNZPNRMPHWOAMV-WDEREUQCSA-N -1 3 297.782 3.034 20 0 CGADHM CC1(C)CCC[C@@H]1c1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000570141984 322266050 /nfs/dbraw/zinc/26/60/50/322266050.db2.gz XMUFWJBWURPNIF-SNVBAGLBSA-N -1 3 283.335 3.302 20 0 CGADHM CCC1(CC)[C@H](OC)C[C@@H]1N(C)Cc1ccc(C(=O)[O-])o1 ZINC000570221001 322268024 /nfs/dbraw/zinc/26/80/24/322268024.db2.gz YTZRIUNSWLSYEO-UONOGXRCSA-N -1 3 295.379 3.003 20 0 CGADHM O=C(Nc1ccc(Br)cc1[O-])[C@]12C[C@H]1CCC2 ZINC000570830664 322283463 /nfs/dbraw/zinc/28/34/63/322283463.db2.gz DYBFGOBTZBLWKB-AMIZOPFISA-N -1 3 296.164 3.283 20 0 CGADHM CC[C@H]1CCCN([C@H](C)c2cc(C(=O)[O-])c(C)o2)C1 ZINC000572413603 322336275 /nfs/dbraw/zinc/33/62/75/322336275.db2.gz LXLKWOAAODKRGR-PWSUYJOCSA-N -1 3 265.353 3.469 20 0 CGADHM O=C([O-])CC1(CN2CC[C@@H](c3c(F)cccc3F)C2)CC1 ZINC000583446011 327371618 /nfs/dbraw/zinc/37/16/18/327371618.db2.gz KVXMLWBXNFQDJU-LLVKDONJSA-N -1 3 295.329 3.009 20 0 CGADHM O=C(Nc1ccccc1[O-])[C@H]1CCCc2c(O)cccc21 ZINC000190171215 328796283 /nfs/dbraw/zinc/79/62/83/328796283.db2.gz FFZPWQANGAPTFJ-ZDUSSCGKSA-N -1 3 283.327 3.156 20 0 CGADHM Cc1ccc(-c2nc(CC3CCCC3)no2)c([O-])c1 ZINC000393683258 329088746 /nfs/dbraw/zinc/08/87/46/329088746.db2.gz SNTOYXMSALLCCG-UHFFFAOYSA-N -1 3 258.321 3.483 20 0 CGADHM C[C@@H](NC(=O)c1cccc([O-])c1)[C@H]1CC2CCC1CC2 ZINC000394295805 329116537 /nfs/dbraw/zinc/11/65/37/329116537.db2.gz ARBSREOSHVHNBD-NEQJSVFRSA-N -1 3 273.376 3.337 20 0 CGADHM CC(=O)c1cccc(NC(=O)C(C)(C)C(C)C)c1[O-] ZINC000582787723 329202107 /nfs/dbraw/zinc/20/21/07/329202107.db2.gz QEEBIFNDZOEVBF-UHFFFAOYSA-N -1 3 263.337 3.216 20 0 CGADHM CN(Cc1ncccc1[O-])[C@@H]1CCCc2ccccc21 ZINC000582931157 329286226 /nfs/dbraw/zinc/28/62/26/329286226.db2.gz MIDGGVSOIDMXSU-MRXNPFEDSA-N -1 3 268.360 3.297 20 0 CGADHM CC[C@@H](C)[C@@H](N)C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000232399331 329385443 /nfs/dbraw/zinc/38/54/43/329385443.db2.gz FQCLTNVSKHYUBR-LHLIQPBNSA-N -1 3 291.178 3.011 20 0 CGADHM CC(C)[C@H]1CCCC[C@@H]1NC(=O)c1ccc(O)cc1[O-] ZINC000221009210 333171950 /nfs/dbraw/zinc/17/19/50/333171950.db2.gz OTKJMIBBAZBJDJ-OCCSQVGLSA-N -1 3 277.364 3.042 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])C1CCCCCC1 ZINC000174882370 335168465 /nfs/dbraw/zinc/16/84/65/335168465.db2.gz JRGSQTWTZPVTHJ-UHFFFAOYSA-N -1 3 251.301 3.440 20 0 CGADHM Cc1cncc(C(=O)Nc2cc(Cl)ccc2[O-])c1 ZINC000175614475 335188982 /nfs/dbraw/zinc/18/89/82/335188982.db2.gz GEGKOGHRXBHBNT-UHFFFAOYSA-N -1 3 262.696 3.001 20 0 CGADHM Cc1cc([C@@H](C)N(C)Cc2ccccc2)oc1C(=O)[O-] ZINC000576710466 335238573 /nfs/dbraw/zinc/23/85/73/335238573.db2.gz JVQYCHKTYRCIQK-GFCCVEGCSA-N -1 3 273.332 3.479 20 0 CGADHM Cc1ccc([C@H]2CCN(C(=O)c3cc([O-])ccc3F)C2)cc1 ZINC000576911416 335263172 /nfs/dbraw/zinc/26/31/72/335263172.db2.gz LHBMEVWRJKRFSP-AWEZNQCLSA-N -1 3 299.345 3.469 20 0 CGADHM O=C(Nc1ncccc1[O-])c1c(Cl)cccc1Cl ZINC000192734093 335298083 /nfs/dbraw/zinc/29/80/83/335298083.db2.gz XYONJWWWVGRSKW-UHFFFAOYSA-N -1 3 283.114 3.346 20 0 CGADHM COc1csc(C(=O)[N-]c2cc(F)c(F)cc2F)c1 ZINC000176769949 335330397 /nfs/dbraw/zinc/33/03/97/335330397.db2.gz HJHCPFNPDZLIHW-UHFFFAOYSA-N -1 3 287.262 3.426 20 0 CGADHM Cc1oc(C(=O)[O-])cc1CN(C)CCc1ccc(F)cc1 ZINC000577284349 335335237 /nfs/dbraw/zinc/33/52/37/335335237.db2.gz CRPCWEGZOWGTGP-UHFFFAOYSA-N -1 3 291.322 3.100 20 0 CGADHM Cc1ccc([C@H]2CCN([C@@H](C)c3nc(C)cc(=O)[n-]3)C2)cc1 ZINC000577457468 335354226 /nfs/dbraw/zinc/35/42/26/335354226.db2.gz OUXBBYPWRGYKNQ-HOCLYGCPSA-N -1 3 297.402 3.350 20 0 CGADHM COc1cc(-c2noc(-c3ccoc3C)n2)ccc1[O-] ZINC000350574196 335515517 /nfs/dbraw/zinc/51/55/17/335515517.db2.gz GEITWIIAXCOFPZ-UHFFFAOYSA-N -1 3 272.260 3.019 20 0 CGADHM Cc1ccc(C)c(CN[C@@H](CC(=O)[O-])c2ccncc2)c1 ZINC000579252738 335728400 /nfs/dbraw/zinc/72/84/00/335728400.db2.gz CELIHVSRRIEYES-INIZCTEOSA-N -1 3 284.359 3.004 20 0 CGADHM [O-]c1ccc(F)c(CN2CC[C@@H]3CCCC[C@@H]32)c1F ZINC000581193007 336022575 /nfs/dbraw/zinc/02/25/75/336022575.db2.gz DOLBADLJMMQYQX-GWCFXTLKSA-N -1 3 267.319 3.435 20 0 CGADHM O=C(Nc1ccc([O-])cc1F)C1(C(F)F)CCCC1 ZINC000581405191 336069478 /nfs/dbraw/zinc/06/94/78/336069478.db2.gz YKBHLHGIPMTSAZ-UHFFFAOYSA-N -1 3 273.254 3.295 20 0 CGADHM CCC(C)(C)[C@H](NCc1ccc(OC)cc1Cl)C(=O)[O-] ZINC000581489161 336088371 /nfs/dbraw/zinc/08/83/71/336088371.db2.gz NYOWMDDWHABLLY-CYBMUJFWSA-N -1 3 299.798 3.328 20 0 CGADHM [O-]c1cccnc1CN1CCC(Cc2ccccc2)CC1 ZINC000581876140 336156631 /nfs/dbraw/zinc/15/66/31/336156631.db2.gz AVMJLCUKEIHNPL-UHFFFAOYSA-N -1 3 282.387 3.242 20 0 CGADHM CCC[C@H]1[C@@H](C)CCCN1Cc1nc(C(=O)[O-])cs1 ZINC000581889795 336160871 /nfs/dbraw/zinc/16/08/71/336160871.db2.gz MPDDWFRNYKKYIC-JQWIXIFHSA-N -1 3 282.409 3.242 20 0 CGADHM Cc1csc(CNC(=O)c2ccc(C)cc2[O-])c1 ZINC000385996453 336164062 /nfs/dbraw/zinc/16/40/62/336164062.db2.gz QTVNKTZRURCCQG-UHFFFAOYSA-N -1 3 261.346 3.001 20 0 CGADHM CCC[C@@H](C)N(C)Cc1ccc(C(=O)[O-])cc1F ZINC000062752484 520645346 /nfs/dbraw/zinc/64/53/46/520645346.db2.gz FCLAWGAGBYIXRH-SNVBAGLBSA-N -1 3 253.317 3.144 20 0 CGADHM C[C@@H]1CCC[C@]1(C)C(=O)NCc1ccc([O-])c2ncccc12 ZINC000616024202 500896209 /nfs/dbraw/zinc/89/62/09/500896209.db2.gz ZIWBZYGVXVPJLM-XIKOKIGWSA-N -1 3 298.386 3.383 20 0 CGADHM Cc1ccc(-c2nc(-c3ncccc3C)no2)c([O-])c1C ZINC000436885314 534206327 /nfs/dbraw/zinc/20/63/27/534206327.db2.gz CFFCUNZVJDBMNQ-UHFFFAOYSA-N -1 3 281.315 3.429 20 0 CGADHM Cc1ccc(C(=O)NC2CC(c3ccccc3)C2)c([O-])c1 ZINC000436514877 534263085 /nfs/dbraw/zinc/26/30/85/534263085.db2.gz QAYVCJQGGPSEDV-UHFFFAOYSA-N -1 3 281.355 3.377 20 0 CGADHM C[C@@H]1CN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])[C@@H]1C ZINC000436633943 534402276 /nfs/dbraw/zinc/40/22/76/534402276.db2.gz JDGZHVMFOKKGKT-ZIAGYGMSSA-N -1 3 295.382 3.463 20 0 CGADHM Cc1ccc2c(c1)CC[C@@H]2NC(=O)Cc1ccc([O-])c(F)c1 ZINC000448781575 534411630 /nfs/dbraw/zinc/41/16/30/534411630.db2.gz JPZJZTVKYFTOPN-INIZCTEOSA-N -1 3 299.345 3.186 20 0 CGADHM Cc1ccoc1CN[C@@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000426759689 534447375 /nfs/dbraw/zinc/44/73/75/534447375.db2.gz XJWVPGUTQJUMFS-IUODEOHRSA-N -1 3 273.332 3.140 20 0 CGADHM [O-]c1ccc(-c2noc(/C=C/c3cncc(F)c3)n2)cc1 ZINC000436771179 534452386 /nfs/dbraw/zinc/45/23/86/534452386.db2.gz YDWIATAHMUTLTH-LZCJLJQNSA-N -1 3 283.262 3.147 20 0 CGADHM CCO[N-]C(=O)Nc1cc(F)c(OC(C)(C)C)c(F)c1 ZINC000184435916 520233953 /nfs/dbraw/zinc/23/39/53/520233953.db2.gz CCSZCQQNVUIMET-UHFFFAOYSA-N -1 3 288.294 3.215 20 0 CGADHM CC1(C)CCC[C@@H]([N-]S(=O)(=O)c2ccccc2F)C1 ZINC000149600116 520342723 /nfs/dbraw/zinc/34/27/23/520342723.db2.gz JDXLJABDJQRISW-LLVKDONJSA-N -1 3 285.384 3.073 20 0 CGADHM Cc1c[nH]c(-c2ccccc2NC(=O)c2cccc([O-])c2)n1 ZINC000367877032 534519723 /nfs/dbraw/zinc/51/97/23/534519723.db2.gz FUFKWSFZJZWOMI-UHFFFAOYSA-N -1 3 293.326 3.343 20 0 CGADHM O=C([O-])[C@H](NCc1cccc2cc[nH]c21)c1cccc(F)c1 ZINC000426764896 534531999 /nfs/dbraw/zinc/53/19/99/534531999.db2.gz YRPGDJAJMJUDSS-MRXNPFEDSA-N -1 3 298.317 3.223 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)NCCCC1CCCC1 ZINC000448646335 534700375 /nfs/dbraw/zinc/70/03/75/534700375.db2.gz BILCBZYWSNYAQK-UHFFFAOYSA-N -1 3 279.355 3.160 20 0 CGADHM CC[C@@]1(C)CCCN(C(=O)c2c[n-]c3ccccc3c2=O)C1 ZINC000081320917 523708028 /nfs/dbraw/zinc/70/80/28/523708028.db2.gz BGVVCCNSGVRXJG-SFHVURJKSA-N -1 3 298.386 3.180 20 0 CGADHM Cc1ncc(CN[C@H]2CCC(C)(C)c3ccccc32)c(=O)[n-]1 ZINC000360885995 534745411 /nfs/dbraw/zinc/74/54/11/534745411.db2.gz UFMKVEMQERLTIV-INIZCTEOSA-N -1 3 297.402 3.393 20 0 CGADHM Cc1coc(SCc2noc(-c3ccccc3[O-])n2)n1 ZINC000364546803 534750808 /nfs/dbraw/zinc/75/08/08/534750808.db2.gz ZLUHUMJNRGQJDE-UHFFFAOYSA-N -1 3 289.316 3.031 20 0 CGADHM C/C=C/c1ccc(NC(=O)c2c([O-])cccc2O)cc1 ZINC000436744854 526303571 /nfs/dbraw/zinc/30/35/71/526303571.db2.gz QFQPOHARLUAFRA-DUXPYHPUSA-N -1 3 269.300 3.383 20 0 CGADHM C/C=C\c1ccc(NC(=O)c2c([O-])cccc2O)cc1 ZINC000436744855 526341626 /nfs/dbraw/zinc/34/16/26/526341626.db2.gz QFQPOHARLUAFRA-RQOWECAXSA-N -1 3 269.300 3.383 20 0 CGADHM O=C(CCc1ccc(O)cc1)N1CCCc2cccc([O-])c21 ZINC000184095447 526591619 /nfs/dbraw/zinc/59/16/19/526591619.db2.gz KYOVPUFVEOLFRZ-UHFFFAOYSA-N -1 3 297.354 3.010 20 0 CGADHM CC(C)(CNC(=O)c1ccc(O)cc1[O-])C1=CCCCC1 ZINC000436942168 527164264 /nfs/dbraw/zinc/16/42/64/527164264.db2.gz AYOIKSUPUSDLDE-UHFFFAOYSA-N -1 3 289.375 3.354 20 0 CGADHM CC(C)(CNCc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000426711400 527171935 /nfs/dbraw/zinc/17/19/35/527171935.db2.gz OGDJDXHOTTXOHC-UHFFFAOYSA-N -1 3 276.163 3.194 20 0 CGADHM CC(=O)c1ccc(C(=O)N(C)[C@H](C)c2ccco2)cc1[O-] ZINC000436534387 527235826 /nfs/dbraw/zinc/23/58/26/527235826.db2.gz XAVGSWNQBOGAMN-SNVBAGLBSA-N -1 3 287.315 3.021 20 0 CGADHM CC(C)[C@H]1CCC[C@@H](NC(=O)c2ccc(O)cc2[O-])C1 ZINC000436597087 527787574 /nfs/dbraw/zinc/78/75/74/527787574.db2.gz SYLLJVZGWLRVPJ-NWDGAFQWSA-N -1 3 277.364 3.042 20 0 CGADHM CCC[C@H](C)C[C@@H](NCc1cc(F)ccc1F)C(=O)[O-] ZINC000426820418 528039666 /nfs/dbraw/zinc/03/96/66/528039666.db2.gz LEIQYKYCALFOIF-IINYFYTJSA-N -1 3 285.334 3.334 20 0 CGADHM CCOc1cc(CNCc2cccnc2)cc(Cl)c1[O-] ZINC000076275296 528280212 /nfs/dbraw/zinc/28/02/12/528280212.db2.gz JEHMLXLUWXRHJG-UHFFFAOYSA-N -1 3 292.766 3.129 20 0 CGADHM CCC(=O)CNC(=O)c1cc(C(C)C)cc(C(C)C)c1[O-] ZINC000436786160 528293439 /nfs/dbraw/zinc/29/34/39/528293439.db2.gz HMCQUROLXLRXTD-UHFFFAOYSA-N -1 3 291.391 3.348 20 0 CGADHM CC(C)[C@@H](C(=O)[O-])[C@H](C)NCc1ccsc1Cl ZINC000424628405 528377134 /nfs/dbraw/zinc/37/71/34/528377134.db2.gz WVDIRWOEXSAOPJ-WCBMZHEXSA-N -1 3 275.801 3.236 20 0 CGADHM CCCNC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436953122 528442419 /nfs/dbraw/zinc/44/24/19/528442419.db2.gz MANMSJPANUCIFX-UHFFFAOYSA-N -1 3 271.316 3.324 20 0 CGADHM CCOC1(CNC(=O)c2ccc([O-])c(CC)c2)CCCC1 ZINC000436522558 528471285 /nfs/dbraw/zinc/47/12/85/528471285.db2.gz MJUOUKGSMRPLIX-UHFFFAOYSA-N -1 3 291.391 3.034 20 0 CGADHM CC(C)[C@@H](NC(=O)c1ccc(O)cc1[O-])c1ccccc1 ZINC000436991580 528572709 /nfs/dbraw/zinc/57/27/09/528572709.db2.gz ROJKKMWKOOOCJM-MRXNPFEDSA-N -1 3 285.343 3.225 20 0 CGADHM CC(C)n1nccc1NC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436757002 528685940 /nfs/dbraw/zinc/68/59/40/528685940.db2.gz SHFPYGUOWJBDKE-UHFFFAOYSA-N -1 3 299.374 3.301 20 0 CGADHM CCC(CC)N(CCOC)C(=O)c1ccc(C)c(C)c1[O-] ZINC000436558169 528778965 /nfs/dbraw/zinc/77/89/65/528778965.db2.gz UJSAPSRSBDMPKR-UHFFFAOYSA-N -1 3 293.407 3.286 20 0 CGADHM CCCC[C@@H](S[C@@H](C)c1nc(C)cc(=O)[n-]1)C(=O)OC ZINC000355929146 528861843 /nfs/dbraw/zinc/86/18/43/528861843.db2.gz GUYCOMKIYSUJAE-WDEREUQCSA-N -1 3 298.408 3.017 20 0 CGADHM CCC[C@@H](C)[C@H]1CCCN1C(=O)c1cc(OC)ccc1[O-] ZINC000156056957 528906568 /nfs/dbraw/zinc/90/65/68/528906568.db2.gz ACVQZNUWYSBTHH-IUODEOHRSA-N -1 3 291.391 3.442 20 0 CGADHM CCN(C(=O)c1cc2c(cc1[O-])CCCC2)C1CCC1 ZINC000436528950 529075599 /nfs/dbraw/zinc/07/55/99/529075599.db2.gz NBFISIZEEGJQBQ-UHFFFAOYSA-N -1 3 273.376 3.286 20 0 CGADHM CC(C)Oc1ccccc1CN1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC000518373794 535061468 /nfs/dbraw/zinc/06/14/68/535061468.db2.gz AEKZGJGCAIBEDT-DZGCQCFKSA-N -1 3 291.391 3.016 20 0 CGADHM CCCCn1c(=O)[n-]nc1SC[C@@H]1CCCC1(F)F ZINC000450712578 535137214 /nfs/dbraw/zinc/13/72/14/535137214.db2.gz WAUCFMVJPRJTAY-VIFPVBQESA-N -1 3 291.367 3.311 20 0 CGADHM CCCNc1ccccc1NC(=O)/C=C\c1cncc([O-])c1 ZINC000493363226 535203570 /nfs/dbraw/zinc/20/35/70/535203570.db2.gz DYSUGUUOPFTVTK-FPLPWBNLSA-N -1 3 297.358 3.261 20 0 CGADHM CCCc1ccc2nccc(N3CCC[C@@H]3C(=O)[O-])c2c1 ZINC000263436710 535427538 /nfs/dbraw/zinc/42/75/38/535427538.db2.gz VPVVJTODMZFEII-MRXNPFEDSA-N -1 3 284.359 3.241 20 0 CGADHM CCc1cccc(C(=O)Nc2cccc3[nH]c(=O)oc32)c1[O-] ZINC000515183504 535855429 /nfs/dbraw/zinc/85/54/29/535855429.db2.gz FYKSSTUSRWVOCM-UHFFFAOYSA-N -1 3 298.298 3.054 20 0 CGADHM CC[C@H](C)C(=O)N=c1cc(-c2cc(C)c(C)cc2C)[n-][nH]1 ZINC000490094753 536111419 /nfs/dbraw/zinc/11/14/19/536111419.db2.gz OTBMWIQILYWLCM-JTQLQIEISA-N -1 3 285.391 3.408 20 0 CGADHM CCc1cc(C(=O)N[C@H](c2cccnc2)C2CC2)ccc1[O-] ZINC000515493842 536130773 /nfs/dbraw/zinc/13/07/73/536130773.db2.gz FXMABRYYPJLFLG-KRWDZBQOSA-N -1 3 296.370 3.231 20 0 CGADHM COc1ccc(C=Cc2nc(C)cc(=O)[n-]2)cc1Cl ZINC000486120766 536613428 /nfs/dbraw/zinc/61/34/28/536613428.db2.gz GFJOKSVIQJRMEC-XQRVVYSFSA-N -1 3 276.723 3.323 20 0 CGADHM COc1cc(C)cc(C(=O)Nc2cc(F)ccc2C)c1[O-] ZINC000093901140 536632465 /nfs/dbraw/zinc/63/24/65/536632465.db2.gz LGANGQAZFYDDLB-UHFFFAOYSA-N -1 3 289.306 3.409 20 0 CGADHM COc1ccc([C@H](C)NC(=O)c2ccc(C)cc2[O-])cc1 ZINC000083881562 536898040 /nfs/dbraw/zinc/89/80/40/536898040.db2.gz NHXPORFYNXPMCJ-LBPRGKRZSA-N -1 3 285.343 3.200 20 0 CGADHM COc1ccccc1CO[N-]C(=O)/C=C\c1ccsc1 ZINC000492646442 537049835 /nfs/dbraw/zinc/04/98/35/537049835.db2.gz NKHDWNLFJMQVEE-SREVYHEPSA-N -1 3 289.356 3.018 20 0 CGADHM CC[C@@H]1CCC[C@H]1C(=O)Nc1ccc(OC)cc1[O-] ZINC000451025893 571717824 /nfs/dbraw/zinc/71/78/24/571717824.db2.gz LVACLCOSTFGXNT-ZYHUDNBSSA-N -1 3 263.337 3.166 20 0 CGADHM CCCCCC[C@@H](C)OC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000729080009 571867483 /nfs/dbraw/zinc/86/74/83/571867483.db2.gz WDEOIBFDKZPVFR-LLVKDONJSA-N -1 3 294.395 3.244 20 0 CGADHM CC[C@H](OC(=O)c1ccc([O-])cc1)C(=O)c1ccccc1 ZINC000738573300 571876131 /nfs/dbraw/zinc/87/61/31/571876131.db2.gz KEHCPQIWUZAQDF-HNNXBMFYSA-N -1 3 284.311 3.211 20 0 CGADHM O=C([N-][C@H]1CCCC[C@@H]1Cc1ccccc1)C(F)(F)F ZINC000729370632 571902566 /nfs/dbraw/zinc/90/25/66/571902566.db2.gz BKGOJNFYKZAMEQ-OLZOCXBDSA-N -1 3 285.309 3.466 20 0 CGADHM O=C(Nc1n[nH]c2ccc(F)cc21)c1cc2occc2[n-]1 ZINC000750863963 572330425 /nfs/dbraw/zinc/33/04/25/572330425.db2.gz ITSSJEPJGUKNDR-UHFFFAOYSA-N -1 3 284.250 3.029 20 0 CGADHM C[C@@H](c1cccc(Cl)c1)N1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000739178823 572403586 /nfs/dbraw/zinc/40/35/86/572403586.db2.gz SDZJAUUFHSEXSW-UHIISALHSA-N -1 3 296.798 3.379 20 0 CGADHM C[C@@H](NC[C@H]1CCCN(C(=O)[O-])C1)c1c(F)cccc1F ZINC000739037719 572415421 /nfs/dbraw/zinc/41/54/21/572415421.db2.gz YHWQBWBDKZLWFE-GHMZBOCLSA-N -1 3 298.333 3.005 20 0 CGADHM CCN(Cc1nc(-c2ccc([O-])cc2)no1)c1ccccc1 ZINC000731790019 572426651 /nfs/dbraw/zinc/42/66/51/572426651.db2.gz HNNPXYFGRJUTHP-UHFFFAOYSA-N -1 3 295.342 3.469 20 0 CGADHM Cc1cc(C)cc(CO[N-]C(=O)CCOc2ccccc2)c1 ZINC000731841973 572429102 /nfs/dbraw/zinc/42/91/02/572429102.db2.gz QAAZRJWDCVCHHH-UHFFFAOYSA-N -1 3 299.370 3.320 20 0 CGADHM Cc1ncsc1COC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000732502732 572468623 /nfs/dbraw/zinc/46/86/23/572468623.db2.gz QPAPAZQOJJDKSR-UHFFFAOYSA-N -1 3 291.159 3.443 20 0 CGADHM Cc1ocnc1C(=O)[N-]c1cc(-c2ccccc2F)no1 ZINC000732831198 572485878 /nfs/dbraw/zinc/48/58/78/572485878.db2.gz SZZJMQZEPKAHAY-UHFFFAOYSA-N -1 3 287.250 3.029 20 0 CGADHM O=C([N-]c1cnoc1)c1cc(C(F)(F)F)ccc1F ZINC000094597903 572518477 /nfs/dbraw/zinc/51/84/77/572518477.db2.gz GFZKKTSNQBUDSY-UHFFFAOYSA-N -1 3 274.173 3.085 20 0 CGADHM CCO[N-]C(=O)C[C@H](Cc1ccccc1)c1ccccc1 ZINC000742042138 572550205 /nfs/dbraw/zinc/55/02/05/572550205.db2.gz DIIKCIACDUPGDJ-KRWDZBQOSA-N -1 3 283.371 3.471 20 0 CGADHM CC(C)(C)c1cnc(COC(=O)c2ccc([O-])cc2)o1 ZINC000733388488 572560852 /nfs/dbraw/zinc/56/08/52/572560852.db2.gz BIOSNKDTUDTYRW-UHFFFAOYSA-N -1 3 275.304 3.035 20 0 CGADHM Cc1cccc2c1CC[C@H]2N[C@H](C(=O)[O-])c1ccccc1 ZINC000738310128 572599818 /nfs/dbraw/zinc/59/98/18/572599818.db2.gz BSXBUMBRVUSRFE-SJORKVTESA-N -1 3 281.355 3.398 20 0 CGADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)/C=C\C3CC3)c2)n1 ZINC000744217606 572725088 /nfs/dbraw/zinc/72/50/88/572725088.db2.gz DAIOTJUELUTSJM-FPLPWBNLSA-N -1 3 296.326 3.029 20 0 CGADHM Cc1ccc(-c2cc(C(=O)OCc3ccsc3)[n-]n2)o1 ZINC000744237377 572726690 /nfs/dbraw/zinc/72/66/90/572726690.db2.gz JQEVOJSAFDVJGJ-UHFFFAOYSA-N -1 3 288.328 3.397 20 0 CGADHM Cc1ccc(-c2cc(C(=O)OCc3ccsc3)n[n-]2)o1 ZINC000744237377 572726692 /nfs/dbraw/zinc/72/66/92/572726692.db2.gz JQEVOJSAFDVJGJ-UHFFFAOYSA-N -1 3 288.328 3.397 20 0 CGADHM CC(C)(C)CCNc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000735601734 572732697 /nfs/dbraw/zinc/73/26/97/572732697.db2.gz BDVXEMDUFGGHRK-UHFFFAOYSA-N -1 3 296.378 3.263 20 0 CGADHM CC(C)(C)CCNc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000735601734 572732700 /nfs/dbraw/zinc/73/27/00/572732700.db2.gz BDVXEMDUFGGHRK-UHFFFAOYSA-N -1 3 296.378 3.263 20 0 CGADHM Cc1ccc(C(=O)N[C@H](c2ccccn2)C(C)C)c([O-])c1 ZINC000736508244 572796825 /nfs/dbraw/zinc/79/68/25/572796825.db2.gz IQNHUBJQQMGDHH-INIZCTEOSA-N -1 3 284.359 3.223 20 0 CGADHM CC[C@H](N[C@@H]1CCCN(C(=O)[O-])C1)c1ccc(F)cc1F ZINC000736920070 572825170 /nfs/dbraw/zinc/82/51/70/572825170.db2.gz MLWRLWMASMOLQR-RISCZKNCSA-N -1 3 298.333 3.148 20 0 CGADHM C[C@H](Nc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000737196553 572865704 /nfs/dbraw/zinc/86/57/04/572865704.db2.gz PVSLZXGCTZVJBU-NSHDSACASA-N -1 3 265.320 3.040 20 0 CGADHM C[C@H](Nc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000737196553 572865708 /nfs/dbraw/zinc/86/57/08/572865708.db2.gz PVSLZXGCTZVJBU-NSHDSACASA-N -1 3 265.320 3.040 20 0 CGADHM CC(C)[C@@H]1CCC[C@H]([N-]C(=O)C(F)(F)C(F)F)C1 ZINC000749379924 572995230 /nfs/dbraw/zinc/99/52/30/572995230.db2.gz QKUNXZZFPBXSBD-BDAKNGLRSA-N -1 3 269.282 3.218 20 0 CGADHM CC[C@@H](C)C[C@H](C)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000820868980 599067675 /nfs/dbraw/zinc/06/76/75/599067675.db2.gz DGLLQNJWMGQKPR-MNOVXSKESA-N -1 3 259.357 3.103 20 0 CGADHM O=C([O-])c1ccc(CN[C@@H]2CCc3ccc(F)cc32)cc1 ZINC000819676046 597484006 /nfs/dbraw/zinc/48/40/06/597484006.db2.gz AUOWQUZYOMXEOM-MRXNPFEDSA-N -1 3 285.318 3.301 20 0 CGADHM CC[C@@H](N[C@@H](C)CC(=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000820284977 598216324 /nfs/dbraw/zinc/21/63/24/598216324.db2.gz JYJKTLRAIDSRFR-NKWVEPMBSA-N -1 3 296.314 3.066 20 0 CGADHM CC[C@@H](N[C@H](C)CC(=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000820284978 598216345 /nfs/dbraw/zinc/21/63/45/598216345.db2.gz JYJKTLRAIDSRFR-RNFRBKRXSA-N -1 3 296.314 3.066 20 0 CGADHM c1cnc(N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)c(-c2nnn[n-]2)c1 ZINC000823809020 599435255 /nfs/dbraw/zinc/43/52/55/599435255.db2.gz HRCRNWRNTCOOFO-RWMBFGLXSA-N -1 3 298.394 3.033 20 0 CGADHM c1cnc(N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)c(-c2nn[n-]n2)c1 ZINC000823809020 599435259 /nfs/dbraw/zinc/43/52/59/599435259.db2.gz HRCRNWRNTCOOFO-RWMBFGLXSA-N -1 3 298.394 3.033 20 0 CGADHM Clc1ccc(N[C@H]2CC=CCC2)c(-c2nnn[n-]2)c1 ZINC000737573017 599443807 /nfs/dbraw/zinc/44/38/07/599443807.db2.gz DCZFRVWAPJUVMP-JTQLQIEISA-N -1 3 275.743 3.041 20 0 CGADHM Clc1ccc(N[C@H]2CC=CCC2)c(-c2nn[n-]n2)c1 ZINC000737573017 599443809 /nfs/dbraw/zinc/44/38/09/599443809.db2.gz DCZFRVWAPJUVMP-JTQLQIEISA-N -1 3 275.743 3.041 20 0 CGADHM O=C([O-])c1ccc(CN2CC[C@@H]2c2ccccc2)cc1 ZINC000833313511 601009130 /nfs/dbraw/zinc/00/91/30/601009130.db2.gz XPIPHMHFIDBDRA-MRXNPFEDSA-N -1 3 267.328 3.332 20 0 CGADHM C/C(=C/CN1CCSC[C@H]1c1ccc(C)cc1)C(=O)[O-] ZINC000825745890 601168763 /nfs/dbraw/zinc/16/87/63/601168763.db2.gz CWOJYQYWHFNRNL-QLBUUCPGSA-N -1 3 291.416 3.116 20 0 CGADHM C[C@H](NCc1cccc(C(=O)[O-])c1)c1ccc(C#N)cc1 ZINC000235516931 601849677 /nfs/dbraw/zinc/84/96/77/601849677.db2.gz PCZIMBACUXRSHM-LBPRGKRZSA-N -1 3 280.327 3.107 20 0 CGADHM Cc1cscc1N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826320989 607647245 /nfs/dbraw/zinc/64/72/45/607647245.db2.gz MXKIMISDBXHZPA-JTQLQIEISA-N -1 3 285.376 3.410 20 0 CGADHM Cc1cscc1N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826320989 607647246 /nfs/dbraw/zinc/64/72/46/607647246.db2.gz MXKIMISDBXHZPA-JTQLQIEISA-N -1 3 285.376 3.410 20 0 CGADHM C[C@@H](NCC1(NC(=O)[O-])CCCCCC1)c1cncs1 ZINC000825483800 604264228 /nfs/dbraw/zinc/26/42/28/604264228.db2.gz APUAGWPGZMKZLI-LLVKDONJSA-N -1 3 297.424 3.154 20 0 CGADHM C[C@@H](NCc1ccc([C@H](C)NC(=O)[O-])cc1)c1cccnc1 ZINC000825501267 604304299 /nfs/dbraw/zinc/30/42/99/604304299.db2.gz BVPPRVLIRJTTFV-OLZOCXBDSA-N -1 3 299.374 3.261 20 0 CGADHM C[C@@H](N[C@@H]1CCCN(C(=O)[O-])C1)c1ccc2ccccc2n1 ZINC000825478539 604330181 /nfs/dbraw/zinc/33/01/81/604330181.db2.gz HPXGWMUNUFCHAR-TZMCWYRMSA-N -1 3 299.374 3.028 20 0 CGADHM CC1(C)CN([C@@H](C(=O)[O-])c2cccnc2)Cc2ccccc21 ZINC000833560412 604777170 /nfs/dbraw/zinc/77/71/70/604777170.db2.gz SLVUIYXBSNTGOV-MRXNPFEDSA-N -1 3 296.370 3.001 20 0 CGADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2cccc(Cl)n2)C1 ZINC000833419572 604945669 /nfs/dbraw/zinc/94/56/69/604945669.db2.gz GQHMTAGRBHWBSM-LLVKDONJSA-N -1 3 296.798 3.058 20 0 CGADHM CCN(CCN[C@@H](C)c1sc(C(C)C)nc1C)C(=O)[O-] ZINC000827151022 604956232 /nfs/dbraw/zinc/95/62/32/604956232.db2.gz RLVOALIFRHAETI-JTQLQIEISA-N -1 3 299.440 3.225 20 0 CGADHM C[C@H](NCCN(C(=O)[O-])C1CC1)c1ccc2ccccc2n1 ZINC000825495779 604960488 /nfs/dbraw/zinc/96/04/88/604960488.db2.gz JDARRHMKUXBTCU-LBPRGKRZSA-N -1 3 299.374 3.028 20 0 CGADHM C[C@H](N[C@@H](C(=O)[O-])c1cccnc1)c1ccc(Cl)cc1 ZINC000827717901 604985476 /nfs/dbraw/zinc/98/54/76/604985476.db2.gz MSHOQDUPFVLHDR-IINYFYTJSA-N -1 3 290.750 3.212 20 0 CGADHM O=C([O-])Nc1ccc(CN2CCCc3ccccc3C2)cn1 ZINC000834260265 605588642 /nfs/dbraw/zinc/58/86/42/605588642.db2.gz NPIKKSMXYMDVAC-UHFFFAOYSA-N -1 3 297.358 3.120 20 0 CGADHM CCC[C@@H]1C[C@@H]1Nc1nc2ccccc2cc1-c1nnn[n-]1 ZINC000821039088 606419811 /nfs/dbraw/zinc/41/98/11/606419811.db2.gz ACOBOZKZTLHWNG-YGRLFVJLSA-N -1 3 294.362 3.015 20 0 CGADHM CCC[C@@H]1C[C@@H]1Nc1nc2ccccc2cc1-c1nn[n-]n1 ZINC000821039088 606419813 /nfs/dbraw/zinc/41/98/13/606419813.db2.gz ACOBOZKZTLHWNG-YGRLFVJLSA-N -1 3 294.362 3.015 20 0 CGADHM c1sc(Nc2ccc(-c3nn[n-]n3)cc2)nc1C1CCC1 ZINC000823742416 606618645 /nfs/dbraw/zinc/61/86/45/606618645.db2.gz FSSBNPUHCQZHSB-UHFFFAOYSA-N -1 3 298.375 3.334 20 0 CGADHM CC(C)[C@H]1CCN(c2c(Cl)cccc2-c2nnn[n-]2)C1 ZINC000820046308 606725816 /nfs/dbraw/zinc/72/58/16/606725816.db2.gz RKUDZZMYPGMLPK-JTQLQIEISA-N -1 3 291.786 3.002 20 0 CGADHM CC(C)[C@H]1CCN(c2c(Cl)cccc2-c2nn[n-]n2)C1 ZINC000820046308 606725817 /nfs/dbraw/zinc/72/58/17/606725817.db2.gz RKUDZZMYPGMLPK-JTQLQIEISA-N -1 3 291.786 3.002 20 0 CGADHM Cc1ccc(NCc2ccc(F)c(-c3nnn[n-]3)c2)c(C)c1 ZINC000822259506 606926210 /nfs/dbraw/zinc/92/62/10/606926210.db2.gz ZPUMMBFZQZGHCT-UHFFFAOYSA-N -1 3 297.337 3.235 20 0 CGADHM Cc1ccc(NCc2ccc(F)c(-c3nn[n-]n3)c2)c(C)c1 ZINC000822259506 606926211 /nfs/dbraw/zinc/92/62/11/606926211.db2.gz ZPUMMBFZQZGHCT-UHFFFAOYSA-N -1 3 297.337 3.235 20 0 CGADHM c1nc(CSc2ccccc2-c2nnn[n-]2)oc1C1CC1 ZINC000826520024 608024038 /nfs/dbraw/zinc/02/40/38/608024038.db2.gz YBWMFRCRSAHZPT-UHFFFAOYSA-N -1 3 299.359 3.024 20 0 CGADHM c1nc(CSc2ccccc2-c2nn[n-]n2)oc1C1CC1 ZINC000826520024 608024039 /nfs/dbraw/zinc/02/40/39/608024039.db2.gz YBWMFRCRSAHZPT-UHFFFAOYSA-N -1 3 299.359 3.024 20 0 CGADHM CCc1ccc(NCc2ccc(-c3nnn[n-]3)s2)cc1C ZINC000825717474 608759840 /nfs/dbraw/zinc/75/98/40/608759840.db2.gz MQAJAYLCMCVMNO-UHFFFAOYSA-N -1 3 299.403 3.411 20 0 CGADHM c1ccc([C@@H]2C[C@@H]2CNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826520866 608869498 /nfs/dbraw/zinc/86/94/98/608869498.db2.gz SWTHUKHJMYKXMR-ZBFHGGJFSA-N -1 3 291.358 3.082 20 0 CGADHM c1ccc([C@@H]2C[C@@H]2CNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826520866 608869499 /nfs/dbraw/zinc/86/94/99/608869499.db2.gz SWTHUKHJMYKXMR-ZBFHGGJFSA-N -1 3 291.358 3.082 20 0 CGADHM Cc1ccccc1N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826307534 609156580 /nfs/dbraw/zinc/15/65/80/609156580.db2.gz LYLDRBAHQCAVSR-LBPRGKRZSA-N -1 3 279.347 3.348 20 0 CGADHM Cc1ccccc1N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826307534 609156581 /nfs/dbraw/zinc/15/65/81/609156581.db2.gz LYLDRBAHQCAVSR-LBPRGKRZSA-N -1 3 279.347 3.348 20 0 CGADHM Cc1ccc(N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826291510 609161307 /nfs/dbraw/zinc/16/13/07/609161307.db2.gz JORLOQWZVQAGKB-LBPRGKRZSA-N -1 3 279.347 3.348 20 0 CGADHM Cc1ccc(N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826291510 609161308 /nfs/dbraw/zinc/16/13/08/609161308.db2.gz JORLOQWZVQAGKB-LBPRGKRZSA-N -1 3 279.347 3.348 20 0 CGADHM Cc1ccc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c(F)c1 ZINC000826291554 609253594 /nfs/dbraw/zinc/25/35/94/609253594.db2.gz LKKUTMZGAZCOSP-LLVKDONJSA-N -1 3 297.337 3.487 20 0 CGADHM Cc1ccc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c(F)c1 ZINC000826291554 609253596 /nfs/dbraw/zinc/25/35/96/609253596.db2.gz LKKUTMZGAZCOSP-LLVKDONJSA-N -1 3 297.337 3.487 20 0 CGADHM Cc1cccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000826299350 609347056 /nfs/dbraw/zinc/34/70/56/609347056.db2.gz AQJAQAMEJOCXHL-NSHDSACASA-N -1 3 297.337 3.487 20 0 CGADHM Cc1cccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000826299350 609347058 /nfs/dbraw/zinc/34/70/58/609347058.db2.gz AQJAQAMEJOCXHL-NSHDSACASA-N -1 3 297.337 3.487 20 0 CGADHM CC(C)C[C@@](C)(CNCc1csc(C2CC2)n1)C(=O)[O-] ZINC000900053248 620753598 /nfs/dbraw/zinc/75/35/98/620753598.db2.gz CXIDOOFKRSYJRJ-HNNXBMFYSA-N -1 3 296.436 3.247 20 0 CGADHM Cc1ccc(NC=C2C(=O)[N-]C(=O)c3ccccc32)cc1C ZINC000255865659 618812003 /nfs/dbraw/zinc/81/20/03/618812003.db2.gz RFGTUJFZZBCUBT-YBEGLDIGSA-N -1 3 292.338 3.026 20 0 CGADHM Cc1ccc(CC(=O)[N-]OC/C=C/c2ccccc2)cc1 ZINC000177578126 618830691 /nfs/dbraw/zinc/83/06/91/618830691.db2.gz STFRHKNTJZCTAD-VMPITWQZSA-N -1 3 281.355 3.299 20 0 CGADHM C[C@@H](NC[C@@H](C)c1ccccc1)c1ncc(C(=O)[O-])s1 ZINC000314676007 619234559 /nfs/dbraw/zinc/23/45/59/619234559.db2.gz QMUDBZUUHHVPCA-GHMZBOCLSA-N -1 3 290.388 3.296 20 0 CGADHM CC[C@@H](CC(=O)[N-]OCc1ccccn1)C(C)(C)C ZINC000909518420 619808880 /nfs/dbraw/zinc/80/88/80/619808880.db2.gz ZMLCVSDIBBSPAY-LBPRGKRZSA-N -1 3 264.369 3.092 20 0 CGADHM CC(C)c1nnc([N-][C@@H]2c3ccccc3OC[C@H]2F)o1 ZINC000895556261 619849590 /nfs/dbraw/zinc/84/95/90/619849590.db2.gz STDKXWWGUAPAPV-ZYHUDNBSSA-N -1 3 277.299 3.077 20 0 CGADHM [O-]c1ccc(F)c(CNC[C@H]2CCC3(CCC3)CO2)c1F ZINC000895808722 619887571 /nfs/dbraw/zinc/88/75/71/619887571.db2.gz AFDMKPUTLBCASR-LLVKDONJSA-N -1 3 297.345 3.109 20 0 CGADHM C[C@H]1CC[C@@](C)(C(=O)[N-]OCc2ccccn2)C1(C)C ZINC000909544533 620086666 /nfs/dbraw/zinc/08/66/66/620086666.db2.gz QHVYLTIXVWPUSG-LRDDRELGSA-N -1 3 276.380 3.092 20 0 CGADHM C[C@@H]([N-]c1nnc(C(F)F)o1)c1cnn(CC2CCC2)c1 ZINC000897369767 620264903 /nfs/dbraw/zinc/26/49/03/620264903.db2.gz JTHAJENOZXEMCE-MRVPVSSYSA-N -1 3 297.309 3.177 20 0 CGADHM C[C@H](c1ccc(F)c(F)c1)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000263369207 620314687 /nfs/dbraw/zinc/31/46/87/620314687.db2.gz UVKFGOZQSVCDOX-CKYFFXLPSA-N -1 3 283.318 3.068 20 0 CGADHM C[C@H]1C[C@@H](c2cccnc2)N(Cc2cccc(C(=O)[O-])c2)C1 ZINC000263419306 620318004 /nfs/dbraw/zinc/31/80/04/620318004.db2.gz OHJGVGVNTSXAJF-GUYCJALGSA-N -1 3 296.370 3.363 20 0 CGADHM Cc1oc(C(=O)[O-])cc1CN1CCC(OC(C)(C)C)CC1 ZINC000901426396 620884081 /nfs/dbraw/zinc/88/40/81/620884081.db2.gz HUTYHCGTDGCHKJ-UHFFFAOYSA-N -1 3 295.379 3.066 20 0 CGADHM O=C([O-])CCCCCNCc1c(Cl)cncc1Cl ZINC000901555556 620926461 /nfs/dbraw/zinc/92/64/61/620926461.db2.gz FFVHLMJQHSGTSK-UHFFFAOYSA-N -1 3 291.178 3.123 20 0 CGADHM C[C@@H](CN(Cc1ccoc1)Cc1ccccc1)C(=O)[O-] ZINC000901581435 620945649 /nfs/dbraw/zinc/94/56/49/620945649.db2.gz UNWQOJQAEQGCED-ZDUSSCGKSA-N -1 3 273.332 3.003 20 0 CGADHM CCc1nc([C@H](C)N[C@@H]2CC[C@H](C(=O)[O-])[C@@H](C)C2)cs1 ZINC000902253513 621209358 /nfs/dbraw/zinc/20/93/58/621209358.db2.gz VZAVLSHRIYCQRS-YFKTTZPYSA-N -1 3 296.436 3.246 20 0 CGADHM Cc1cc(=O)[n-]c(CSC[C@@H]2CCC3(CCC3)CO2)n1 ZINC000902341263 621253911 /nfs/dbraw/zinc/25/39/11/621253911.db2.gz BHJCUUSBUNYDMQ-LBPRGKRZSA-N -1 3 294.420 3.073 20 0 CGADHM CC[C@H](CC(F)(F)F)NCc1cc(C(=O)[O-])oc1C ZINC000902336860 621270920 /nfs/dbraw/zinc/27/09/20/621270920.db2.gz QLPRGAXGWFCZLL-SECBINFHSA-N -1 3 279.258 3.107 20 0 CGADHM O=C([O-])c1ccc(CN2CC(Cc3ccsc3)C2)cc1 ZINC000902464508 621337597 /nfs/dbraw/zinc/33/75/97/621337597.db2.gz ZAXJUKKBHKCFFL-UHFFFAOYSA-N -1 3 287.384 3.121 20 0 CGADHM C[C@H](c1cc(F)ccc1F)N(C)CCC(C)(C)C(=O)[O-] ZINC000902509945 621349417 /nfs/dbraw/zinc/34/94/17/621349417.db2.gz MFZYQBXQFNXTHA-SNVBAGLBSA-N -1 3 285.334 3.459 20 0 CGADHM CCCC1CCC(N(C)Cc2cc(C(=O)[O-])no2)CC1 ZINC000902538636 621356572 /nfs/dbraw/zinc/35/65/72/621356572.db2.gz VWFJWUQBZGBQDB-UHFFFAOYSA-N -1 3 280.368 3.164 20 0 CGADHM CCc1oc(CN(C)C2CC(C)(C)C2)cc1C(=O)[O-] ZINC000902545386 621370709 /nfs/dbraw/zinc/37/07/09/621370709.db2.gz HLEJEENIVJFLAH-UHFFFAOYSA-N -1 3 265.353 3.161 20 0 CGADHM C[C@@H](COCC1CCCCC1)NCc1ccoc1C(=O)[O-] ZINC000902572216 621376329 /nfs/dbraw/zinc/37/63/29/621376329.db2.gz KIJBOYWILQXQEE-LBPRGKRZSA-N -1 3 295.379 3.053 20 0 CGADHM Cc1ccc(F)c(CN(CCC(=O)[O-])CC(C)C)c1F ZINC000903597407 621774775 /nfs/dbraw/zinc/77/47/75/621774775.db2.gz ZEOIWESTVOBZBX-UHFFFAOYSA-N -1 3 285.334 3.206 20 0 CGADHM CN(CCCF)[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC000903625590 621776996 /nfs/dbraw/zinc/77/69/96/621776996.db2.gz NBXQPYORPAGSTM-NSHDSACASA-N -1 3 294.153 3.411 20 0 CGADHM O=C([O-])c1ccc(CN[C@H]2CCc3ccc(F)cc32)s1 ZINC000903677717 621786957 /nfs/dbraw/zinc/78/69/57/621786957.db2.gz ZZHNEWZROXIWLB-ZDUSSCGKSA-N -1 3 291.347 3.363 20 0 CGADHM O=C([O-])c1ccc(CN2CC(C3CCCCC3)C2)s1 ZINC000903690556 621789120 /nfs/dbraw/zinc/78/91/20/621789120.db2.gz IZTFRYRGQRASTK-UHFFFAOYSA-N -1 3 279.405 3.458 20 0 CGADHM CN(Cc1cncc(C(=O)[O-])c1)[C@@H]1CCCc2ccccc21 ZINC000903886054 621826771 /nfs/dbraw/zinc/82/67/71/621826771.db2.gz VEVLFMGOYYPVQW-QGZVFWFLSA-N -1 3 296.370 3.289 20 0 CGADHM CC(C)(C)CCCN1CCOc2c(cccc2C(=O)[O-])C1 ZINC000903922258 621833536 /nfs/dbraw/zinc/83/35/36/621833536.db2.gz VWGVAOCDCAGJQC-UHFFFAOYSA-N -1 3 291.391 3.406 20 0 CGADHM O=C([O-])CC1CC(NCc2c(Cl)cccc2Cl)C1 ZINC000904062050 621861478 /nfs/dbraw/zinc/86/14/78/621861478.db2.gz AELLBHIEHYFPRT-UHFFFAOYSA-N -1 3 288.174 3.336 20 0 CGADHM [O-]c1cc(-c2ccc(N3CCCC3)nc2)ccc1F ZINC000904761374 621967467 /nfs/dbraw/zinc/96/74/67/621967467.db2.gz ZIQXFQLZMKHSHT-UHFFFAOYSA-N -1 3 258.296 3.194 20 0 CGADHM Cc1ccccc1[C@@H](NCc1ccc(C(=O)[O-])cn1)C1CC1 ZINC000905725739 622100576 /nfs/dbraw/zinc/10/05/76/622100576.db2.gz XGVOFZWWOLGODX-KRWDZBQOSA-N -1 3 296.370 3.329 20 0 CGADHM Cc1ccccc1COC(=O)c1cc(-c2ccco2)[n-]n1 ZINC000913298418 622754964 /nfs/dbraw/zinc/75/49/64/622754964.db2.gz KRZYWMZYSPFPBV-UHFFFAOYSA-N -1 3 282.299 3.335 20 0 CGADHM Cc1ccccc1COC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000913298418 622754967 /nfs/dbraw/zinc/75/49/67/622754967.db2.gz KRZYWMZYSPFPBV-UHFFFAOYSA-N -1 3 282.299 3.335 20 0 CGADHM CSCCCO[N-]C(=O)CCC1CCCCC1 ZINC000174145013 623365043 /nfs/dbraw/zinc/36/50/43/623365043.db2.gz RUSHLJYHBASOKU-UHFFFAOYSA-N -1 3 259.415 3.148 20 0 CGADHM Cc1ccccc1SCCC[N-]C(=O)C(F)(F)F ZINC000151775246 623566687 /nfs/dbraw/zinc/56/66/87/623566687.db2.gz KQOCNDSNSWSLFT-UHFFFAOYSA-N -1 3 277.311 3.156 20 0 CGADHM CCCC[C@H](C)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC000314709748 623664053 /nfs/dbraw/zinc/66/40/53/623664053.db2.gz WGPHOKFEWNGDQY-DTWKUNHWSA-N -1 3 256.371 3.071 20 0 CGADHM C[C@@H](CCc1ccco1)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC000314982757 623666646 /nfs/dbraw/zinc/66/66/46/623666646.db2.gz PHKOBWLNZRMGQP-UWVGGRQHSA-N -1 3 294.376 3.106 20 0 CGADHM CCCCCC[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000915289880 623942458 /nfs/dbraw/zinc/94/24/58/623942458.db2.gz YTWCJHPXDAVDDS-UHFFFAOYSA-N -1 3 293.791 3.338 20 0 CGADHM Cc1[n-]n(Cc2ccc(Cl)cc2Cl)c(=O)c1F ZINC000917345713 624260843 /nfs/dbraw/zinc/26/08/43/624260843.db2.gz GRNYNHBNFOQTKH-SNVBAGLBSA-N -1 3 275.110 3.050 20 0 CGADHM O=C([O-])c1ccc(CN[C@@H](c2ccccc2)C2CC2)o1 ZINC000071381144 625084354 /nfs/dbraw/zinc/08/43/54/625084354.db2.gz GWMIIXJLDOMDIS-HNNXBMFYSA-N -1 3 271.316 3.219 20 0 CGADHM CC(C)(C)c1nc(COC(=O)c2ccc([O-])cc2)co1 ZINC000922174633 625978998 /nfs/dbraw/zinc/97/89/98/625978998.db2.gz RIQXSELBJIZPGH-UHFFFAOYSA-N -1 3 275.304 3.035 20 0 CGADHM Cc1occc1CN(C)C[C@H](C)C(=O)c1ccc([O-])cc1 ZINC000929336129 626086300 /nfs/dbraw/zinc/08/63/00/626086300.db2.gz QMBIYQIJURLAEB-LBPRGKRZSA-N -1 3 287.359 3.244 20 0 CGADHM O=C([N-]CCCSC1CCCCC1)C(F)(F)F ZINC000124701567 634486539 /nfs/dbraw/zinc/48/65/39/634486539.db2.gz LNIXFECHGPKTPV-UHFFFAOYSA-N -1 3 269.332 3.121 20 0 CGADHM CCCCCC[C@H](C)NC(=O)c1ccc(N)cc1[O-] ZINC000751047461 626375893 /nfs/dbraw/zinc/37/58/93/626375893.db2.gz QCRKOQOLENHPCQ-NSHDSACASA-N -1 3 264.369 3.063 20 0 CGADHM COCCCO[N-]C(=O)C[C@@H](C)c1ccc(C(C)C)cc1 ZINC000805040063 626450586 /nfs/dbraw/zinc/45/05/86/626450586.db2.gz OXSUZRYOUBFTBM-CQSZACIVSA-N -1 3 293.407 3.388 20 0 CGADHM COCCCO[N-]C(=O)C[C@H]1C[C@@H](C)c2c1cccc2C ZINC000805043411 626453319 /nfs/dbraw/zinc/45/33/19/626453319.db2.gz SCCBFNJUBWZADW-ZIAGYGMSSA-N -1 3 291.391 3.060 20 0 CGADHM CC(C)CCO[N-]C(=O)Cc1cccc2ccccc21 ZINC000754287181 626566352 /nfs/dbraw/zinc/56/63/52/626566352.db2.gz HLKFYZSKKUDEAF-UHFFFAOYSA-N -1 3 271.360 3.476 20 0 CGADHM O=C(Nc1ccc(Cl)cc1[O-])c1cc2occc2[nH]1 ZINC000759697661 626915919 /nfs/dbraw/zinc/91/59/19/626915919.db2.gz OTQNCHYUTLIHFS-UHFFFAOYSA-N -1 3 276.679 3.372 20 0 CGADHM C[C@H](OC(=O)c1cc2ccsc2[n-]1)C(=O)OC(C)(C)C ZINC000762771800 627123671 /nfs/dbraw/zinc/12/36/71/627123671.db2.gz NGWBIFZGYWHDHZ-QMMMGPOBSA-N -1 3 295.360 3.116 20 0 CGADHM CC[C@@H](C(=O)[N-]O[C@@H]1CCCCO1)C1CCC(C)CC1 ZINC000764037044 627191637 /nfs/dbraw/zinc/19/16/37/627191637.db2.gz GWWXISDAYSHVBN-NEXFUWMNSA-N -1 3 283.412 3.413 20 0 CGADHM CC(C)c1nc(C=Cc2nccc(=O)[n-]2)c2ccccn21 ZINC000764440856 627207857 /nfs/dbraw/zinc/20/78/57/627207857.db2.gz BLXZZTVILSMZSK-VOTSOKGWSA-N -1 3 280.331 3.124 20 0 CGADHM O=C(OCc1nc(Cl)ccc1Cl)c1ccc([O-])cc1 ZINC000765391746 627247599 /nfs/dbraw/zinc/24/75/99/627247599.db2.gz GUCDHZWMAULZPI-UHFFFAOYSA-N -1 3 298.125 3.451 20 0 CGADHM Cc1ccc(C(=O)Nc2ccc(O)cc2C)c([O-])c1C ZINC000770082375 627602736 /nfs/dbraw/zinc/60/27/36/627602736.db2.gz OTFPEWWMCDZEIB-UHFFFAOYSA-N -1 3 271.316 3.275 20 0 CGADHM CC(C)c1nsc([N-]C(=O)c2cnc(C(C)C)s2)n1 ZINC000874695697 634595041 /nfs/dbraw/zinc/59/50/41/634595041.db2.gz LFCZPROODISOGN-UHFFFAOYSA-N -1 3 296.421 3.494 20 0 CGADHM CO[N-]C(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2 ZINC000771900883 627743076 /nfs/dbraw/zinc/74/30/76/627743076.db2.gz KMWXXHFXIUAQGF-UHFFFAOYSA-N -1 3 251.370 3.051 20 0 CGADHM Cc1ccc(COC(=O)c2cccc(Cl)c2[O-])c(C)n1 ZINC000772248442 627777449 /nfs/dbraw/zinc/77/74/49/627777449.db2.gz XDNCRFSCBCBIJH-UHFFFAOYSA-N -1 3 291.734 3.414 20 0 CGADHM O=C(CCCCC(=O)c1ccccc1)[N-]OC1CCCC1 ZINC000774864250 628043547 /nfs/dbraw/zinc/04/35/47/628043547.db2.gz AOWDXRMLSHLMBN-UHFFFAOYSA-N -1 3 289.375 3.420 20 0 CGADHM Cc1ccc(CCCC(=O)[N-]OC2CCCC2)s1 ZINC000774875220 628045841 /nfs/dbraw/zinc/04/58/41/628045841.db2.gz LUZKWTOAVBHYDT-UHFFFAOYSA-N -1 3 267.394 3.370 20 0 CGADHM CC(Cl)(Cl)C(=O)[N-][C@@H]1COc2c1cccc2Cl ZINC000777011740 628244464 /nfs/dbraw/zinc/24/44/64/628244464.db2.gz JJLDFJBCSFLQMY-MRVPVSSYSA-N -1 3 294.565 3.084 20 0 CGADHM O=C(CCC(=O)c1ccccc1)[N-]OC1CCCCC1 ZINC000777962262 628315417 /nfs/dbraw/zinc/31/54/17/628315417.db2.gz UNGQRSYWVAPYJG-UHFFFAOYSA-N -1 3 275.348 3.030 20 0 CGADHM CC(C)[C@H]1C[C@H](CC(=O)[N-]OC2CCCCC2)CCO1 ZINC000777962574 628315479 /nfs/dbraw/zinc/31/54/79/628315479.db2.gz YDUTWLNXAYCANX-UKRRQHHQSA-N -1 3 283.412 3.208 20 0 CGADHM O=C(NOC1CCCCC1)c1cc2c(cc1[O-])CCCC2 ZINC000779321850 628407763 /nfs/dbraw/zinc/40/77/63/628407763.db2.gz FZDFYZNSQZILPI-UHFFFAOYSA-N -1 3 289.375 3.265 20 0 CGADHM CO[C@H]1Cc2ccc(NC(=O)c3cccc(C)c3[O-])cc2C1 ZINC000784213849 628795112 /nfs/dbraw/zinc/79/51/12/628795112.db2.gz KPRWFTZNNFDMOA-HNNXBMFYSA-N -1 3 297.354 3.067 20 0 CGADHM C[C@@H]1C[C@H](COC(=O)c2cccc(Cl)c2[O-])CCO1 ZINC000784564752 628821790 /nfs/dbraw/zinc/82/17/90/628821790.db2.gz VHUDQMAKPRIJAQ-NXEZZACHSA-N -1 3 284.739 3.018 20 0 CGADHM O=C(Cc1ccc(Cl)c(F)c1)[N-]OC1CCCCC1 ZINC000790567072 629217925 /nfs/dbraw/zinc/21/79/25/629217925.db2.gz GAXBNOFHEMPPCC-UHFFFAOYSA-N -1 3 285.746 3.402 20 0 CGADHM CC(C)(NC(=O)c1cc([O-])c2ccccc2c1)C(F)F ZINC000792593898 629369411 /nfs/dbraw/zinc/36/94/11/629369411.db2.gz DWJYYTXJDMBILY-UHFFFAOYSA-N -1 3 279.286 3.319 20 0 CGADHM CCCCC[C@@H](CC)C(=O)Nc1cnc(C(=O)OCC)[n-]1 ZINC000793965260 629509430 /nfs/dbraw/zinc/50/94/30/629509430.db2.gz VTVSVRXZENGRON-LLVKDONJSA-N -1 3 295.383 3.131 20 0 CGADHM CCCCC[C@@H](CC)C(=O)Nc1c[n-]c(C(=O)OCC)n1 ZINC000793965260 629509431 /nfs/dbraw/zinc/50/94/31/629509431.db2.gz VTVSVRXZENGRON-LLVKDONJSA-N -1 3 295.383 3.131 20 0 CGADHM Cc1cc(C)c(C)c(OCCC(=O)[N-]OC/C=C/Cl)c1 ZINC000794297654 629531365 /nfs/dbraw/zinc/53/13/65/629531365.db2.gz SFOVLFAEKUGRNT-GQCTYLIASA-N -1 3 297.782 3.181 20 0 CGADHM O=c1ccnc(C=Cc2cscc2Br)[n-]1 ZINC000794698581 629565904 /nfs/dbraw/zinc/56/59/04/629565904.db2.gz AAYXMDRQAPVDRP-UPHRSURJSA-N -1 3 283.150 3.177 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)C[C@H]1CCc2ccccc21 ZINC000794842100 629587104 /nfs/dbraw/zinc/58/71/04/629587104.db2.gz HWDTWFHSAKEWKA-TZMCWYRMSA-N -1 3 261.365 3.200 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)C[C@@H](C)Cc1ccccc1OC ZINC000794849608 629587673 /nfs/dbraw/zinc/58/76/73/629587673.db2.gz BYIDXXLQVVGXFZ-KBPBESRZSA-N -1 3 293.407 3.358 20 0 CGADHM Cc1ccoc1CN(C)Cc1cc(=O)oc2cc([O-])ccc12 ZINC000795168933 629639165 /nfs/dbraw/zinc/63/91/65/629639165.db2.gz WSLNYQHMUMQNLO-UHFFFAOYSA-N -1 3 299.326 3.032 20 0 CGADHM CC(C)(C)C(=O)C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000800646948 630294344 /nfs/dbraw/zinc/29/43/44/630294344.db2.gz HVCITKZIZBXWGK-UHFFFAOYSA-N -1 3 277.364 3.243 20 0 CGADHM C[C@@H](O)CCCOC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000811394201 631061351 /nfs/dbraw/zinc/06/13/51/631061351.db2.gz MJSIZAGFJHTSHC-SSDOTTSWSA-N -1 3 287.768 3.201 20 0 CGADHM Cc1ccc(CCCC(=O)[N-]OC/C=C/Cl)cc1 ZINC000812398489 631244975 /nfs/dbraw/zinc/24/49/75/631244975.db2.gz RKEWNHRGECKCJK-XCVCLJGOSA-N -1 3 267.756 3.118 20 0 CGADHM Cc1oc2ccccc2c1CC(=O)[N-]OC/C=C\Cl ZINC000812401234 631245283 /nfs/dbraw/zinc/24/52/83/631245283.db2.gz IJOLHQPDHVOQQV-DAXSKMNVSA-N -1 3 279.723 3.084 20 0 CGADHM Cc1ccc(OCCCC(=O)[N-]OC/C=C/Cl)cc1C ZINC000812409228 631248609 /nfs/dbraw/zinc/24/86/09/631248609.db2.gz ORCGLYOPGRPMHD-XBXARRHUSA-N -1 3 297.782 3.263 20 0 CGADHM CC1(C)CCC[C@H](CC(=O)[N-]OC/C=C\Cl)C1 ZINC000812408409 631248892 /nfs/dbraw/zinc/24/88/92/631248892.db2.gz SNRBGPDSFHTLDG-MEQVVJDKSA-N -1 3 259.777 3.393 20 0 CGADHM O=C(Cc1cccc(Cl)c1Cl)[N-]OC/C=C\Cl ZINC000812407114 631248987 /nfs/dbraw/zinc/24/89/87/631248987.db2.gz VYDKBEZKLAYLQG-DJWKRKHSSA-N -1 3 294.565 3.336 20 0 CGADHM Cc1ccc(OCCCC(=O)[N-]OC2CCC2)c(C)c1 ZINC000812796016 631312927 /nfs/dbraw/zinc/31/29/27/631312927.db2.gz ITRFWUJRRXKOCH-UHFFFAOYSA-N -1 3 277.364 3.063 20 0 CGADHM [O-]c1ccc(F)c(CN2CC[C@@H](c3ccccn3)C2)c1F ZINC000816599234 632021225 /nfs/dbraw/zinc/02/12/25/632021225.db2.gz GXIKFVUDRQQTGD-LLVKDONJSA-N -1 3 290.313 3.055 20 0 CGADHM Cc1ccoc1CNC(=O)c1cc2sccc2c([O-])c1 ZINC000816983331 632070103 /nfs/dbraw/zinc/07/01/03/632070103.db2.gz SXAJSMHFLRVMKL-UHFFFAOYSA-N -1 3 287.340 3.438 20 0 CGADHM CC(C)c1ccc(CCC(=O)[N-]OCC2CC2)cc1 ZINC000817368604 632133045 /nfs/dbraw/zinc/13/30/45/632133045.db2.gz WXQMYQRGIYXSNL-UHFFFAOYSA-N -1 3 261.365 3.200 20 0 CGADHM Cc1cc2occ(CC(=O)[N-]OCCC3CC3)c2cc1C ZINC000817393000 632137352 /nfs/dbraw/zinc/13/73/52/632137352.db2.gz FZJYJGQGLRPFQY-UHFFFAOYSA-N -1 3 287.359 3.440 20 0 CGADHM Cc1ccc(OCCCC(=O)[N-]OCCC2CC2)cc1C ZINC000817416781 632146612 /nfs/dbraw/zinc/14/66/12/632146612.db2.gz UPFJGXAWAYBXDC-UHFFFAOYSA-N -1 3 291.391 3.310 20 0 CGADHM CC[C@@H](C)[C@H](C)N(C(=O)c1ccc(N)cc1[O-])C1CC1 ZINC000817937717 632238279 /nfs/dbraw/zinc/23/82/79/632238279.db2.gz VCOHDGQDEHDFFO-MNOVXSKESA-N -1 3 276.380 3.014 20 0 CGADHM CCCO[N-]C(=O)CCCCCc1ccc(OC)cc1 ZINC000844084115 635817325 /nfs/dbraw/zinc/81/73/25/635817325.db2.gz BWAYTNCPWYRXPS-UHFFFAOYSA-N -1 3 279.380 3.256 20 0 CGADHM CCOC([O-])=NOCCc1c(Cl)cccc1Cl ZINC000818107497 632287798 /nfs/dbraw/zinc/28/77/98/632287798.db2.gz SIKLCLDNIOKRBA-UHFFFAOYSA-N -1 3 278.135 3.214 20 0 CGADHM CCOC(=O)[N-]OCCc1c(Cl)cccc1Cl ZINC000818107497 632287813 /nfs/dbraw/zinc/28/78/13/632287813.db2.gz SIKLCLDNIOKRBA-UHFFFAOYSA-N -1 3 278.135 3.214 20 0 CGADHM C[C@@H]1CN(C(=O)c2cc3sccc3c([O-])c2)[C@H]1C ZINC000818471964 632322122 /nfs/dbraw/zinc/32/21/22/632322122.db2.gz GCWWRMITSACHFS-BDAKNGLRSA-N -1 3 261.346 3.087 20 0 CGADHM Fc1cccc2oc([N-]c3cnn4c3CCCC4)nc21 ZINC000866066691 632991074 /nfs/dbraw/zinc/99/10/74/632991074.db2.gz KPXFBQYDUCZDSW-UHFFFAOYSA-N -1 3 272.283 3.243 20 0 CGADHM O=C([N-]O[C@@H]1CCCCO1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000822923487 633039209 /nfs/dbraw/zinc/03/92/09/633039209.db2.gz BLXVZCBSBLAXST-ARFHVFGLSA-N -1 3 289.375 3.145 20 0 CGADHM CC(=O)c1ccc(-c2nnn[n-]2)c(N[C@H]2CCCC[C@@H]2C)c1 ZINC000824014268 633181051 /nfs/dbraw/zinc/18/10/51/633181051.db2.gz GXJAYYAYPPUQSM-HZMBPMFUSA-N -1 3 299.378 3.060 20 0 CGADHM CC(=O)c1ccc(-c2nn[n-]n2)c(N[C@H]2CCCC[C@@H]2C)c1 ZINC000824014268 633181056 /nfs/dbraw/zinc/18/10/56/633181056.db2.gz GXJAYYAYPPUQSM-HZMBPMFUSA-N -1 3 299.378 3.060 20 0 CGADHM C[C@]1(CC(=O)Nc2cccc([O-])c2F)CC1(Cl)Cl ZINC000827973244 633542704 /nfs/dbraw/zinc/54/27/04/633542704.db2.gz HDMRGZFRPAWOHX-NSHDSACASA-N -1 3 292.137 3.444 20 0 CGADHM O=C(N[C@@H]1CC=CC[C@H]1C(F)(F)F)c1ccccc1[O-] ZINC000828527917 633624211 /nfs/dbraw/zinc/62/42/11/633624211.db2.gz PZAYBSLISFUJPP-GHMZBOCLSA-N -1 3 285.265 3.019 20 0 CGADHM CC(=O)[C@@H](OC(=O)c1cc2sccc2c([O-])c1)C(C)C ZINC000829069970 633688220 /nfs/dbraw/zinc/68/82/20/633688220.db2.gz JWSNIMAQXYVGJN-AWEZNQCLSA-N -1 3 292.356 3.377 20 0 CGADHM CC[C@H]1CCC[C@@H](CNCc2nc(CC(=O)[O-])cs2)C1 ZINC000871881608 633908849 /nfs/dbraw/zinc/90/88/49/633908849.db2.gz ZYHSHGRNQZGWQB-NWDGAFQWSA-N -1 3 296.436 3.076 20 0 CGADHM O=c1ccc(-c2ccc(C3CCOCC3)cc2)c(F)[n-]1 ZINC000871887609 633913286 /nfs/dbraw/zinc/91/32/86/633913286.db2.gz VTESKUNZHRJFTM-UHFFFAOYSA-N -1 3 273.307 3.487 20 0 CGADHM C[C@@H](N[C@H](CCO)c1ccccc1)c1cccc([O-])c1F ZINC000872038665 633958301 /nfs/dbraw/zinc/95/83/01/633958301.db2.gz OPXVNGMODYDBIO-IUODEOHRSA-N -1 3 289.350 3.306 20 0 CGADHM Cc1ccccc1[C@@H](CO)N[C@@H](C)c1cccc([O-])c1F ZINC000872039254 633958797 /nfs/dbraw/zinc/95/87/97/633958797.db2.gz FIWDXEPUWWKBKP-SWLSCSKDSA-N -1 3 289.350 3.224 20 0 CGADHM COC[C@@H](N[C@H](C)c1cccc([O-])c1F)c1ccc(C)o1 ZINC000872041162 633962923 /nfs/dbraw/zinc/96/29/23/633962923.db2.gz QJFHIAJADMFXLU-DGCLKSJQSA-N -1 3 293.338 3.471 20 0 CGADHM CSCCO[N-]C(=O)C1(Cc2cccc(Cl)c2)CC1 ZINC000831582990 633979398 /nfs/dbraw/zinc/97/93/98/633979398.db2.gz MPMAZZJRRVSTFQ-UHFFFAOYSA-N -1 3 299.823 3.074 20 0 CGADHM C[C@H](NCc1nn(C)cc1C(F)F)c1cccc([O-])c1F ZINC000872091388 634017089 /nfs/dbraw/zinc/01/70/89/634017089.db2.gz HBJICUPOEOKUSC-QMMMGPOBSA-N -1 3 299.296 3.053 20 0 CGADHM Cc1ccc(CN2C[C@H](C)C(F)(F)[C@@H](C)C2)cc1C(=O)[O-] ZINC000872161713 634070993 /nfs/dbraw/zinc/07/09/93/634070993.db2.gz ZTSZLXGFTPLWEP-RYUDHWBXSA-N -1 3 297.345 3.416 20 0 CGADHM Cc1ccc(N)cc1NC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000834646494 634207623 /nfs/dbraw/zinc/20/76/23/634207623.db2.gz FIWAAWMUFYGUSM-UHFFFAOYSA-N -1 3 296.370 3.414 20 0 CGADHM C[C@H]1C[C@H](NC(=O)c2cc([O-])ccc2Cl)CCS1 ZINC000834651327 634208515 /nfs/dbraw/zinc/20/85/15/634208515.db2.gz VVZBMNQNBKHCTJ-DTWKUNHWSA-N -1 3 285.796 3.060 20 0 CGADHM CCC1(C(=O)OCc2cc(=O)[n-]c(C3CC3)n2)CCCC1 ZINC000837572476 634938587 /nfs/dbraw/zinc/93/85/87/634938587.db2.gz IQVDDJBCTOEFKF-UHFFFAOYSA-N -1 3 290.363 3.073 20 0 CGADHM CC(C)(C)CC(=O)[N-]OCc1ccc(Cl)s1 ZINC000842060374 635270084 /nfs/dbraw/zinc/27/00/84/635270084.db2.gz IMZDADDKOLSXEC-UHFFFAOYSA-N -1 3 261.774 3.386 20 0 CGADHM Cc1ccc(F)c(CO[N-]C(=O)CC(C)(C)C)c1 ZINC000842061051 635271103 /nfs/dbraw/zinc/27/11/03/635271103.db2.gz IDTKKRATZPTNQU-UHFFFAOYSA-N -1 3 253.317 3.118 20 0 CGADHM CC(C)SCCSCc1cc(=O)[n-]c(C2CC2)n1 ZINC000842193873 635311234 /nfs/dbraw/zinc/31/12/34/635311234.db2.gz FVCRPUVGXUGSQJ-UHFFFAOYSA-N -1 3 284.450 3.434 20 0 CGADHM [O-]c1ccccc1-c1nnc(CN2CCC(C3CC3)CC2)o1 ZINC000878641297 635584496 /nfs/dbraw/zinc/58/44/96/635584496.db2.gz SJGPBPSCLPAKTN-UHFFFAOYSA-N -1 3 299.374 3.064 20 0 CGADHM CC(=O)c1cccc(NC(=O)C[C@H]2CCC(F)(F)C2)c1[O-] ZINC000843887863 635792194 /nfs/dbraw/zinc/79/21/94/635792194.db2.gz AYLIHDLEEMUTPJ-SNVBAGLBSA-N -1 3 297.301 3.359 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)N(C)Cc2ccc3cc[nH]c3c2)n1 ZINC000879724908 635842828 /nfs/dbraw/zinc/84/28/28/635842828.db2.gz QSXDCKRIRLGCQG-GFCCVEGCSA-N -1 3 296.374 3.165 20 0 CGADHM CCC[C@@H](C)CCNC(=O)c1c[n-]c2ccccc2c1=O ZINC000881528211 636132454 /nfs/dbraw/zinc/13/24/54/636132454.db2.gz ATCCWKXXIFSYLU-GFCCVEGCSA-N -1 3 286.375 3.084 20 0 CGADHM CCc1ccc(C(=O)[C@H](C)OC(=O)c2ccc([O-])cc2)cc1 ZINC000005694050 636148367 /nfs/dbraw/zinc/14/83/67/636148367.db2.gz MPEHNAWLZQJNSK-LBPRGKRZSA-N -1 3 298.338 3.383 20 0 CGADHM O=c1ccnc(C=Cc2cnc(-c3ccccc3)s2)[n-]1 ZINC000131811083 636754900 /nfs/dbraw/zinc/75/49/00/636754900.db2.gz HUBKZFJRMYSFHQ-VOTSOKGWSA-N -1 3 281.340 3.064 20 0 CGADHM CC(C)CO[N-]C(=O)CCc1ccc([C@H]2C[C@H]2C)o1 ZINC000135338685 637119537 /nfs/dbraw/zinc/11/95/37/637119537.db2.gz VVGPOWPHJVYBMM-YPMHNXCESA-N -1 3 265.353 3.039 20 0 CGADHM O=C(NCC1CCC=CCC1)c1cc(=O)c2ccccc2[n-]1 ZINC000886023562 637370468 /nfs/dbraw/zinc/37/04/68/637370468.db2.gz WBGAMFROQXXNPV-UHFFFAOYSA-N -1 3 296.370 3.004 20 0 CGADHM O=C([N-][C@@H](c1cccs1)c1ccc(F)cc1)C(F)F ZINC000219710251 637543001 /nfs/dbraw/zinc/54/30/01/637543001.db2.gz WHNZUBKOJKAGMX-LLVKDONJSA-N -1 3 285.290 3.358 20 0 CGADHM Cc1oc(NC(=O)c2c(C)cccc2[O-])nc1C1CC1 ZINC000887243060 637778120 /nfs/dbraw/zinc/77/81/20/637778120.db2.gz ZYGFJWAJNMOQPT-UHFFFAOYSA-N -1 3 272.304 3.127 20 0 CGADHM CC(C)=CCCSCCC[N-]C(=O)C(F)(F)F ZINC000853791605 637924664 /nfs/dbraw/zinc/92/46/64/637924664.db2.gz IBJILNZRIZAWOW-UHFFFAOYSA-N -1 3 269.332 3.145 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CC[C@@H](O)c3ccccc32)c1 ZINC000889264543 637991874 /nfs/dbraw/zinc/99/18/74/637991874.db2.gz XNHPPAWBFWARIN-QGZVFWFLSA-N -1 3 297.354 3.039 20 0 CGADHM CC(C)OCCCOC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000113472892 638217524 /nfs/dbraw/zinc/21/75/24/638217524.db2.gz KULUQJBNIWMDFC-UHFFFAOYSA-N -1 3 280.151 3.293 20 0 CGADHM CC(C)(C)SCCCC(=O)[N-]OCC1CCC1 ZINC000856348563 638348320 /nfs/dbraw/zinc/34/83/20/638348320.db2.gz KDMVPUWBRPDQCH-UHFFFAOYSA-N -1 3 259.415 3.146 20 0 CGADHM C[C@H](CC(=O)[N-]OCC1CCC1)c1ccc(F)cc1F ZINC000856348909 638349007 /nfs/dbraw/zinc/34/90/07/638349007.db2.gz UHGBWWZFRRSRLC-SNVBAGLBSA-N -1 3 283.318 3.306 20 0 CGADHM Cc1ccc(F)cc1NC(=O)c1[n-]cnc1C(F)(F)F ZINC000857430552 638505982 /nfs/dbraw/zinc/50/59/82/638505982.db2.gz NFNMUXXXAYSMPX-UHFFFAOYSA-N -1 3 287.216 3.128 20 0 CGADHM Cc1ccc(F)cc1NC(=O)c1nc[n-]c1C(F)(F)F ZINC000857430552 638505985 /nfs/dbraw/zinc/50/59/85/638505985.db2.gz NFNMUXXXAYSMPX-UHFFFAOYSA-N -1 3 287.216 3.128 20 0 CGADHM Cc1nccnc1[C@H](C)N[C@@H](C)c1cc([O-])cc(F)c1 ZINC000926838584 638816555 /nfs/dbraw/zinc/81/65/55/638816555.db2.gz SXRXRXBCJAMUPY-ONGXEEELSA-N -1 3 275.327 3.042 20 0 CGADHM C[C@@H](NCc1nc2c(s1)CCC2)c1cc([O-])cc(F)c1 ZINC000926881669 638821123 /nfs/dbraw/zinc/82/11/23/638821123.db2.gz BYTVCZGQOQSAQH-SECBINFHSA-N -1 3 292.379 3.327 20 0 CGADHM Cc1ccc2occ(CC(=O)[N-]OCCC3CC3)c2c1 ZINC000861823828 639616547 /nfs/dbraw/zinc/61/65/47/639616547.db2.gz MSHDOSXUVJAASC-UHFFFAOYSA-N -1 3 273.332 3.132 20 0 CGADHM Cc1cccc([O-])c1C(=O)NCC[C@]1(C)C[C@]1(F)Cl ZINC000862124409 639648548 /nfs/dbraw/zinc/64/85/48/639648548.db2.gz LWYYCEYVEZGGTB-ZIAGYGMSSA-N -1 3 285.746 3.135 20 0 CGADHM O=C(C[C@H]1CC[C@@H](C2CC2)O1)Nc1cc(Cl)ccc1[O-] ZINC000935017037 639731744 /nfs/dbraw/zinc/73/17/44/639731744.db2.gz NDESMWPNWXHAKE-RISCZKNCSA-N -1 3 295.766 3.332 20 0 CGADHM CC(=O)c1cccc(NC(=O)C[C@H]2CC=CCC2)c1[O-] ZINC000935986621 639878142 /nfs/dbraw/zinc/87/81/42/639878142.db2.gz OOWKIAZQQBKWSH-LBPRGKRZSA-N -1 3 273.332 3.280 20 0 CGADHM COc1cccc(C(=O)Nc2ccc(Cl)nc2C)c1[O-] ZINC000192506824 640376496 /nfs/dbraw/zinc/37/64/96/640376496.db2.gz CLGOHOUHYVRPJP-UHFFFAOYSA-N -1 3 292.722 3.010 20 0 CGADHM [O-]c1cc(Cl)cc(-c2nccc(N3CCCC3)n2)c1 ZINC001250498780 805655639 /nfs/dbraw/zinc/65/56/39/805655639.db2.gz BOJSQSHDWCGVNC-UHFFFAOYSA-N -1 3 275.739 3.103 20 0 CGADHM Cc1ccc(C(=O)Nc2cnc3[nH]ccc3c2C)c([O-])c1C ZINC001156549850 805714307 /nfs/dbraw/zinc/71/43/07/805714307.db2.gz SUIILYKWKSRHNO-UHFFFAOYSA-N -1 3 295.342 3.398 20 0 CGADHM Cc1ccc2cccc(-c3ccc(-c4nnn[n-]4)cc3)c2n1 ZINC001250640992 805744750 /nfs/dbraw/zinc/74/47/50/805744750.db2.gz RJUGSDHWSYEZKN-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM Cc1ccc2cccc(-c3ccc(-c4nn[n-]n4)cc3)c2n1 ZINC001250640992 805744753 /nfs/dbraw/zinc/74/47/53/805744753.db2.gz RJUGSDHWSYEZKN-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM [O-]c1cnccc1-c1nc2cc(F)c(C(F)(F)F)cc2[nH]1 ZINC001250860929 805790106 /nfs/dbraw/zinc/79/01/06/805790106.db2.gz XOEVNGXVVKTPMS-UHFFFAOYSA-N -1 3 297.211 3.488 20 0 CGADHM CSc1ccc([O-])c(C(=O)NN2[C@H](C)CCC[C@H]2C)c1 ZINC001157468894 805818170 /nfs/dbraw/zinc/81/81/70/805818170.db2.gz SCUAHBPJRNRIDP-GHMZBOCLSA-N -1 3 294.420 3.022 20 0 CGADHM Cc1c(C)c([N-]S(=O)(=O)c2ccccc2)ccc1F ZINC001251148800 805854457 /nfs/dbraw/zinc/85/44/57/805854457.db2.gz AHZHRRCMIATBPY-UHFFFAOYSA-N -1 3 279.336 3.243 20 0 CGADHM COc1cc2nc(-c3cccc([O-])c3F)[nH]c2cc1OC ZINC001251255602 805871316 /nfs/dbraw/zinc/87/13/16/805871316.db2.gz RTRWBXYXGXTJJO-UHFFFAOYSA-N -1 3 288.278 3.092 20 0 CGADHM Cc1cccc2[nH]c(-c3ccc([O-])c4[nH]c(=O)ccc34)nc21 ZINC001251306787 805879073 /nfs/dbraw/zinc/87/90/73/805879073.db2.gz DOIXVTHCKKZYNG-UHFFFAOYSA-N -1 3 291.310 3.498 20 0 CGADHM COc1cc2nc(-c3c([O-])ccc(F)c3F)[nH]c2cc1F ZINC001251319216 805882147 /nfs/dbraw/zinc/88/21/47/805882147.db2.gz UBRQOUPBILHESS-UHFFFAOYSA-N -1 3 294.232 3.361 20 0 CGADHM C[C@@H]1C[C@@H](NC(=O)c2ccccc2[O-])c2ccccc2O1 ZINC001158763509 806000177 /nfs/dbraw/zinc/00/01/77/806000177.db2.gz OHOCIBLIIXYUCN-BXUZGUMPSA-N -1 3 283.327 3.034 20 0 CGADHM Cc1c(Cl)nc(C(C)C)nc1NCc1ncccc1[O-] ZINC001158775927 806000954 /nfs/dbraw/zinc/00/09/54/806000954.db2.gz NFKWXDWDPOPZDZ-UHFFFAOYSA-N -1 3 292.770 3.275 20 0 CGADHM [O-]c1ccc(Cc2nnc(-c3ccc(F)cc3)o2)c(F)c1 ZINC001252201940 806029869 /nfs/dbraw/zinc/02/98/69/806029869.db2.gz JZYCSWREVKCJEM-UHFFFAOYSA-N -1 3 288.253 3.311 20 0 CGADHM CCc1ccc2c(c1)CCN2C(=O)c1cc(OC)ccc1[O-] ZINC001159058635 806037105 /nfs/dbraw/zinc/03/71/05/806037105.db2.gz CKMCHTONDYDUKT-UHFFFAOYSA-N -1 3 297.354 3.166 20 0 CGADHM CC(C)(C)c1cc([N-]S(C)(=O)=O)c(O)c(C(C)(C)C)c1 ZINC001252727629 806106198 /nfs/dbraw/zinc/10/61/98/806106198.db2.gz YUAQNSJFOLHNPU-UHFFFAOYSA-N -1 3 299.436 3.359 20 0 CGADHM O=S(=O)(Cc1ccccc1)[N-]c1cc(F)cc(Cl)c1 ZINC001252867038 806135965 /nfs/dbraw/zinc/13/59/65/806135965.db2.gz SJZCVABPFCIVTQ-UHFFFAOYSA-N -1 3 299.754 3.421 20 0 CGADHM COc1cccc(-c2nnc(-c3ccc(C)cc3[O-])o2)c1 ZINC001253259800 806198902 /nfs/dbraw/zinc/19/89/02/806198902.db2.gz HLEKFVAGPRZBOY-UHFFFAOYSA-N -1 3 282.299 3.426 20 0 CGADHM Cc1ccoc1CNC(=O)c1ccc(C(C)C)cc1[O-] ZINC001160458547 806273991 /nfs/dbraw/zinc/27/39/91/806273991.db2.gz LRQVLNWENPOWPA-UHFFFAOYSA-N -1 3 273.332 3.347 20 0 CGADHM CCCc1nnc(-c2cc([O-])cc(Br)c2)o1 ZINC001254019741 806330761 /nfs/dbraw/zinc/33/07/61/806330761.db2.gz YMEBAIALILCZRI-UHFFFAOYSA-N -1 3 283.125 3.157 20 0 CGADHM FC(F)(F)CCNc1ccc2c(c1)[N-]C(=S)C2 ZINC001161828061 806467433 /nfs/dbraw/zinc/46/74/33/806467433.db2.gz AEGNTZZKOXOYBI-UHFFFAOYSA-N -1 3 260.284 3.346 20 0 CGADHM Cc1ccc([N-]c2nnc(-c3ccco3)o2)cc1O ZINC001211688277 814932212 /nfs/dbraw/zinc/93/22/12/814932212.db2.gz HUGZUTOSFUQADU-UHFFFAOYSA-N -1 3 257.249 3.087 20 0 CGADHM C[C@@H]1CCCC[C@H]1CNc1ccccc1-c1nnn[n-]1 ZINC001162527376 806613258 /nfs/dbraw/zinc/61/32/58/806613258.db2.gz WWTDEOMAPIRJQB-NEPJUHHUSA-N -1 3 271.368 3.105 20 0 CGADHM C[C@@H]1CCCC[C@H]1CNc1ccccc1-c1nn[n-]n1 ZINC001162527376 806613263 /nfs/dbraw/zinc/61/32/63/806613263.db2.gz WWTDEOMAPIRJQB-NEPJUHHUSA-N -1 3 271.368 3.105 20 0 CGADHM CO[C@@H]1CC[C@@H](/N=C/c2cc(Cl)ccc2[O-])C1 ZINC000189562954 799122189 /nfs/dbraw/zinc/12/21/89/799122189.db2.gz NMCLLXZKEUUTSP-GTZAAGPCSA-N -1 3 253.729 3.032 20 0 CGADHM [O-]c1ccc(-c2ccc(OC(F)(F)F)cn2)c(F)c1 ZINC000381881908 799390443 /nfs/dbraw/zinc/39/04/43/799390443.db2.gz YKXKWRVKMGKIJR-UHFFFAOYSA-N -1 3 273.185 3.492 20 0 CGADHM CCOc1cccc(CNCc2csc(C(=O)[O-])c2)c1 ZINC000689110048 799760340 /nfs/dbraw/zinc/76/03/40/799760340.db2.gz INVLQYLLWADUPE-UHFFFAOYSA-N -1 3 291.372 3.135 20 0 CGADHM COc1cccc([O-])c1C(=O)N(C)Cc1ccc(C)s1 ZINC000693916882 799817965 /nfs/dbraw/zinc/81/79/65/799817965.db2.gz RKAOCNFWBSORMP-UHFFFAOYSA-N -1 3 291.372 3.043 20 0 CGADHM Cc1cc(-c2noc(-c3c(C)cccc3[O-])n2)ccn1 ZINC000706648220 799964623 /nfs/dbraw/zinc/96/46/23/799964623.db2.gz IAPNEYIMLKJZDF-UHFFFAOYSA-N -1 3 267.288 3.121 20 0 CGADHM CC1(CNC(=O)c2cc([O-])ccc2Cl)CC(F)(F)C1 ZINC000720997569 800275513 /nfs/dbraw/zinc/27/55/13/800275513.db2.gz GXGBEHITJVZTLL-UHFFFAOYSA-N -1 3 289.709 3.211 20 0 CGADHM CC(C)c1cnc(CN[C@H](C)[C@H](C(=O)[O-])C(C)C)s1 ZINC001118091342 802525101 /nfs/dbraw/zinc/52/51/01/802525101.db2.gz WNNCCXSVEDQXGI-ZWNOBZJWSA-N -1 3 284.425 3.101 20 0 CGADHM CCc1oc(CN2CCCC(C)(C)C2)cc1C(=O)[O-] ZINC001119538813 802677328 /nfs/dbraw/zinc/67/73/28/802677328.db2.gz DHZAMAPJMCTMMF-UHFFFAOYSA-N -1 3 265.353 3.162 20 0 CGADHM CC(C)c1nc(CN[C@@H](CC(=O)[O-])C2CCCC2)cs1 ZINC001119611650 802684258 /nfs/dbraw/zinc/68/42/58/802684258.db2.gz KNKOUQCCNCKVHE-ZDUSSCGKSA-N -1 3 296.436 3.390 20 0 CGADHM Cc1nn(C)c(C)c1N[C@H](C)c1cc([O-])cc(F)c1 ZINC001119631997 802686794 /nfs/dbraw/zinc/68/67/94/802686794.db2.gz KAFFWQDVJPDNSG-MRVPVSSYSA-N -1 3 263.316 3.055 20 0 CGADHM O=C(O[C@H]1COc2ccccc21)c1cccc(Cl)c1[O-] ZINC001127390412 803138707 /nfs/dbraw/zinc/13/87/07/803138707.db2.gz OZVRADOSMPZZSL-ZDUSSCGKSA-N -1 3 290.702 3.336 20 0 CGADHM CC(C)(C)c1cc(-c2cc(-c3nnn[n-]3)ccc2F)ccn1 ZINC001244024118 803147222 /nfs/dbraw/zinc/14/72/22/803147222.db2.gz PWEBTDAIVFHZIW-UHFFFAOYSA-N -1 3 297.337 3.365 20 0 CGADHM CC(C)(C)c1cc(-c2cc(-c3nn[n-]n3)ccc2F)ccn1 ZINC001244024118 803147224 /nfs/dbraw/zinc/14/72/24/803147224.db2.gz PWEBTDAIVFHZIW-UHFFFAOYSA-N -1 3 297.337 3.365 20 0 CGADHM Oc1cccc(Cl)c1-c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001244045018 803159620 /nfs/dbraw/zinc/15/96/20/803159620.db2.gz RFGLNHGTNXZKFW-UHFFFAOYSA-N -1 3 290.685 3.032 20 0 CGADHM Oc1cccc(Cl)c1-c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001244045018 803159626 /nfs/dbraw/zinc/15/96/26/803159626.db2.gz RFGLNHGTNXZKFW-UHFFFAOYSA-N -1 3 290.685 3.032 20 0 CGADHM COCc1ccc(C)c(-c2ccc(-c3nnn[n-]3)cc2C)c1 ZINC001244174191 803224722 /nfs/dbraw/zinc/22/47/22/803224722.db2.gz BPJRXQMRCAPECO-UHFFFAOYSA-N -1 3 294.358 3.297 20 0 CGADHM COCc1ccc(C)c(-c2ccc(-c3nn[n-]n3)cc2C)c1 ZINC001244174191 803224725 /nfs/dbraw/zinc/22/47/25/803224725.db2.gz BPJRXQMRCAPECO-UHFFFAOYSA-N -1 3 294.358 3.297 20 0 CGADHM COc1cc(C(=O)[O-])cc(-c2ccc3c(N)ccnc3c2)c1 ZINC001244177903 803227668 /nfs/dbraw/zinc/22/76/68/803227668.db2.gz PPGSHWRPDSCYEO-UHFFFAOYSA-N -1 3 294.310 3.191 20 0 CGADHM Cc1nocc1[N-]C(=O)c1cc(Oc2ccccc2)ccn1 ZINC001130577541 803291431 /nfs/dbraw/zinc/29/14/31/803291431.db2.gz XFKPARFZUAPBJA-UHFFFAOYSA-N -1 3 295.298 3.423 20 0 CGADHM CC(C)c1cc(-c2cc(-c3nnn[n-]3)ccc2F)ccc1N ZINC001244334812 803310878 /nfs/dbraw/zinc/31/08/78/803310878.db2.gz OQNNSKGOMXDALM-UHFFFAOYSA-N -1 3 297.337 3.378 20 0 CGADHM CC(C)c1cc(-c2cc(-c3nn[n-]n3)ccc2F)ccc1N ZINC001244334812 803310885 /nfs/dbraw/zinc/31/08/85/803310885.db2.gz OQNNSKGOMXDALM-UHFFFAOYSA-N -1 3 297.337 3.378 20 0 CGADHM CCOc1cc(-c2cc(F)cc(-c3nnn[n-]3)c2)ccc1C ZINC001244442252 803367300 /nfs/dbraw/zinc/36/73/00/803367300.db2.gz GGVORWSOPXZWOH-UHFFFAOYSA-N -1 3 298.321 3.380 20 0 CGADHM CCOc1cc(-c2cc(F)cc(-c3nn[n-]n3)c2)ccc1C ZINC001244442252 803367305 /nfs/dbraw/zinc/36/73/05/803367305.db2.gz GGVORWSOPXZWOH-UHFFFAOYSA-N -1 3 298.321 3.380 20 0 CGADHM CSc1ncc(-c2ccc(Cl)cc2[O-])cn1 ZINC001244469262 803385507 /nfs/dbraw/zinc/38/55/07/803385507.db2.gz DLJVROURIWWFQB-UHFFFAOYSA-N -1 3 252.726 3.225 20 0 CGADHM O=c1ccc(-c2ccc(Cl)cc2[O-])cn1-c1ccncc1 ZINC001244470883 803387513 /nfs/dbraw/zinc/38/75/13/803387513.db2.gz BBSGSLSLHSOQRU-UHFFFAOYSA-N -1 3 298.729 3.259 20 0 CGADHM Cc1cc(-c2ccnc(C(F)(F)F)n2)cc([O-])c1F ZINC001244496822 803403711 /nfs/dbraw/zinc/40/37/11/803403711.db2.gz VPOAUVFHWSTMGI-UHFFFAOYSA-N -1 3 272.201 3.316 20 0 CGADHM Cc1cc(-c2ccc3cccnc3n2)cc([O-])c1F ZINC001244507665 803411820 /nfs/dbraw/zinc/41/18/20/803411820.db2.gz VUYWDAWVUODPST-UHFFFAOYSA-N -1 3 254.264 3.450 20 0 CGADHM Cc1cc(-c2ccc(=O)n(C(F)F)c2)cc([O-])c1F ZINC001244516649 803413894 /nfs/dbraw/zinc/41/38/94/803413894.db2.gz AIHDRVMCQPKSQI-UHFFFAOYSA-N -1 3 269.222 3.064 20 0 CGADHM Cc1cc(-c2ccc3nnc(C4CC4)n3c2)cc([O-])c1F ZINC001244524992 803417776 /nfs/dbraw/zinc/41/77/76/803417776.db2.gz KOQNPJOLQCPKAV-UHFFFAOYSA-N -1 3 283.306 3.427 20 0 CGADHM COC(=O)COc1ccc(-c2cc(C)c(F)c([O-])c2)cc1 ZINC001244525657 803418971 /nfs/dbraw/zinc/41/89/71/803418971.db2.gz RIOAHQOUZJQPLZ-UHFFFAOYSA-N -1 3 290.290 3.059 20 0 CGADHM Cc1cc(-c2cnc(OCC(C)C)nc2)cc([O-])c1F ZINC001244525809 803419078 /nfs/dbraw/zinc/41/90/78/803419078.db2.gz SXIHLFGDAVRANY-UHFFFAOYSA-N -1 3 276.311 3.332 20 0 CGADHM Cc1cc(-c2cccc(C(N)=O)c2)cc(Cl)c1[O-] ZINC001244548033 803432776 /nfs/dbraw/zinc/43/27/76/803432776.db2.gz SSEOAVOGBVVLPM-UHFFFAOYSA-N -1 3 261.708 3.120 20 0 CGADHM Cc1cc(-c2cc(F)c(C(N)=O)c(F)c2)cc(Cl)c1[O-] ZINC001244554595 803435375 /nfs/dbraw/zinc/43/53/75/803435375.db2.gz LFDMQEWXZSOFHP-UHFFFAOYSA-N -1 3 297.688 3.398 20 0 CGADHM Cc1cc(-c2cnn(C(C)C)c(=O)c2)cc(Cl)c1[O-] ZINC001244556540 803436991 /nfs/dbraw/zinc/43/69/91/803436991.db2.gz URJQZGWPUPZZEY-UHFFFAOYSA-N -1 3 278.739 3.159 20 0 CGADHM O=C([N-]c1cscc1Cl)c1ncc(F)cc1F ZINC001133290269 803466920 /nfs/dbraw/zinc/46/69/20/803466920.db2.gz WUHSEHHMPXJJHA-UHFFFAOYSA-N -1 3 274.679 3.327 20 0 CGADHM Nc1ccc(F)c(Nc2nc3c(cccc3[O-])s2)c1 ZINC001211818413 814945243 /nfs/dbraw/zinc/94/52/43/814945243.db2.gz PACUQHYLHDVPRT-UHFFFAOYSA-N -1 3 275.308 3.467 20 0 CGADHM Cc1cc(-c2cc(CN(C)C)ccn2)cc(C)c1C(=O)[O-] ZINC001244944791 803585748 /nfs/dbraw/zinc/58/57/48/803585748.db2.gz LHNJNCGKQOBWAN-UHFFFAOYSA-N -1 3 284.359 3.125 20 0 CGADHM COc1ncc(F)cc1-c1cc(Cl)ccc1[O-] ZINC001245051331 803623161 /nfs/dbraw/zinc/62/31/61/803623161.db2.gz YYRUBCBWKFYSQH-UHFFFAOYSA-N -1 3 253.660 3.255 20 0 CGADHM CCCNc1ccnc(-c2ccc([O-])cc2Cl)n1 ZINC001245079427 803634768 /nfs/dbraw/zinc/63/47/68/803634768.db2.gz FBQNEPFKPKLQMN-UHFFFAOYSA-N -1 3 263.728 3.325 20 0 CGADHM Oc1ccc(-c2ccc(F)c(-c3nnn[n-]3)c2)c(Cl)c1 ZINC001245081407 803636256 /nfs/dbraw/zinc/63/62/56/803636256.db2.gz FEERXCUKQSOQNM-UHFFFAOYSA-N -1 3 290.685 3.032 20 0 CGADHM Oc1ccc(-c2ccc(F)c(-c3nn[n-]n3)c2)c(Cl)c1 ZINC001245081407 803636258 /nfs/dbraw/zinc/63/62/58/803636258.db2.gz FEERXCUKQSOQNM-UHFFFAOYSA-N -1 3 290.685 3.032 20 0 CGADHM [O-]c1ccc(-c2ncnc3cccnc32)c(Cl)c1 ZINC001245082047 803636276 /nfs/dbraw/zinc/63/62/76/803636276.db2.gz QLQTWUPTPOBDIN-UHFFFAOYSA-N -1 3 257.680 3.051 20 0 CGADHM [O-]c1ccc(-c2cc3nccnc3cn2)c(Cl)c1 ZINC001245081330 803636600 /nfs/dbraw/zinc/63/66/00/803636600.db2.gz FESPGBVVNGQBRI-UHFFFAOYSA-N -1 3 257.680 3.051 20 0 CGADHM CSc1cc(-c2ccc([O-])cc2Cl)ncn1 ZINC001245082031 803636609 /nfs/dbraw/zinc/63/66/09/803636609.db2.gz PIGSLVJYQDPOAB-UHFFFAOYSA-N -1 3 252.726 3.225 20 0 CGADHM Cc1noc2ccc(-c3ccc(-c4nnn[n-]4)c(F)c3)cc12 ZINC001245280236 803690436 /nfs/dbraw/zinc/69/04/36/803690436.db2.gz DMHPUEGPUWVWIG-UHFFFAOYSA-N -1 3 295.277 3.122 20 0 CGADHM Cc1noc2ccc(-c3ccc(-c4nn[n-]n4)c(F)c3)cc12 ZINC001245280236 803690439 /nfs/dbraw/zinc/69/04/39/803690439.db2.gz DMHPUEGPUWVWIG-UHFFFAOYSA-N -1 3 295.277 3.122 20 0 CGADHM CN(C)Cc1ccnc(-c2ccc(C(=O)[O-])cc2Cl)c1 ZINC001245372436 803717805 /nfs/dbraw/zinc/71/78/05/803717805.db2.gz NCVJIWLHOXXNMW-UHFFFAOYSA-N -1 3 290.750 3.162 20 0 CGADHM CC/C=C\C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC001211979345 814962982 /nfs/dbraw/zinc/96/29/82/814962982.db2.gz XMCODQVAYCCHIL-ARJAWSKDSA-N -1 3 294.203 3.238 20 0 CGADHM Cc1ccc2[nH]c(-c3ccc(-c4nnn[n-]4)cc3)cc2c1 ZINC001245571772 803824484 /nfs/dbraw/zinc/82/44/84/803824484.db2.gz MICPHEFAEBFEQX-UHFFFAOYSA-N -1 3 275.315 3.323 20 0 CGADHM Cc1ccc2[nH]c(-c3ccc(-c4nn[n-]n4)cc3)cc2c1 ZINC001245571772 803824491 /nfs/dbraw/zinc/82/44/91/803824491.db2.gz MICPHEFAEBFEQX-UHFFFAOYSA-N -1 3 275.315 3.323 20 0 CGADHM [O-]c1cc(-c2cccc3nc[nH]c32)c(F)c(F)c1F ZINC001245635565 803869908 /nfs/dbraw/zinc/86/99/08/803869908.db2.gz LUQIJESECDIVGJ-UHFFFAOYSA-N -1 3 264.206 3.353 20 0 CGADHM [O-]c1cccc(F)c1-c1ccnc(N2CCCC2)c1 ZINC001245653022 803883515 /nfs/dbraw/zinc/88/35/15/803883515.db2.gz IFSRLZPCOMWMKK-UHFFFAOYSA-N -1 3 258.296 3.194 20 0 CGADHM COC(OC)c1ccccc1-c1c([O-])cccc1F ZINC001245653018 803885184 /nfs/dbraw/zinc/88/51/84/803885184.db2.gz IBGQGUMBCIKLGX-UHFFFAOYSA-N -1 3 262.280 3.490 20 0 CGADHM CC(C)Cn1cc(-c2c([O-])cccc2F)ccc1=O ZINC001245654886 803886168 /nfs/dbraw/zinc/88/61/68/803886168.db2.gz MPOAOUPXCFFDTK-UHFFFAOYSA-N -1 3 261.296 3.016 20 0 CGADHM COCOc1cc(-c2c([O-])cccc2F)ccc1F ZINC001245654926 803886313 /nfs/dbraw/zinc/88/63/13/803886313.db2.gz MWJZQQMWMOKPDK-UHFFFAOYSA-N -1 3 266.243 3.320 20 0 CGADHM COc1cc(F)c(-c2c([O-])cccc2F)cc1F ZINC001245655068 803887785 /nfs/dbraw/zinc/88/77/85/803887785.db2.gz VBEYUODXCLKHPZ-UHFFFAOYSA-N -1 3 254.207 3.485 20 0 CGADHM CC1(C)CNC(=O)c2cc(-c3c([O-])cccc3F)ccc21 ZINC001245655827 803888510 /nfs/dbraw/zinc/88/85/10/803888510.db2.gz PLROESXLSUTEOA-UHFFFAOYSA-N -1 3 285.318 3.219 20 0 CGADHM Cc1cc(-c2nnn[n-]2)ccc1-c1ccc(Cl)nc1C ZINC001245775022 803956828 /nfs/dbraw/zinc/95/68/28/803956828.db2.gz GQFSXQBXHHPYMH-UHFFFAOYSA-N -1 3 285.738 3.199 20 0 CGADHM Cc1cc(-c2nn[n-]n2)ccc1-c1ccc(Cl)nc1C ZINC001245775022 803956836 /nfs/dbraw/zinc/95/68/36/803956836.db2.gz GQFSXQBXHHPYMH-UHFFFAOYSA-N -1 3 285.738 3.199 20 0 CGADHM Cc1ccc(O)c(-n2[n-]c(Cc3ccccc3F)cc2=O)c1 ZINC001245935323 804064542 /nfs/dbraw/zinc/06/45/42/804064542.db2.gz KYUQKDNWDWYGKQ-UHFFFAOYSA-N -1 3 298.317 3.322 20 0 CGADHM CCCc1ccc(C(=O)Nc2nc(C)ccc2[O-])s1 ZINC001139461453 804190722 /nfs/dbraw/zinc/19/07/22/804190722.db2.gz LWYARUSEFOWEBR-UHFFFAOYSA-N -1 3 276.361 3.362 20 0 CGADHM [O-]c1cccc(CN2CC3(CCC3)C2)c1Br ZINC001140547499 804458909 /nfs/dbraw/zinc/45/89/09/804458909.db2.gz ILANJAQTGWXVCN-UHFFFAOYSA-N -1 3 282.181 3.141 20 0 CGADHM [O-]c1ccc(CN2CC[C@H]3CCC[C@H]3C2)c(F)c1F ZINC001140887574 804540795 /nfs/dbraw/zinc/54/07/95/804540795.db2.gz BKKVEZLVPHLITB-MNOVXSKESA-N -1 3 267.319 3.292 20 0 CGADHM [O-]c1ccc(CN2CC[C@H](c3cccnc3)C2)c(F)c1F ZINC001140894117 804545502 /nfs/dbraw/zinc/54/55/02/804545502.db2.gz RAKPFOYBINELDL-LBPRGKRZSA-N -1 3 290.313 3.055 20 0 CGADHM [O-]c1c(F)cc(CN2CC[C@H](F)C(F)(F)CC2)cc1F ZINC001140988319 804563405 /nfs/dbraw/zinc/56/34/05/804563405.db2.gz WQCOFSFGNKTDIV-NSHDSACASA-N -1 3 295.251 3.240 20 0 CGADHM Cc1cc(C)c(C(=O)Nc2c([O-])cccc2Cl)[nH]1 ZINC001141467342 804644045 /nfs/dbraw/zinc/64/40/45/804644045.db2.gz RVPLCIWXORAOSJ-UHFFFAOYSA-N -1 3 264.712 3.243 20 0 CGADHM C[C@H]1CN(Cc2c(Cl)cc([O-])cc2Cl)C[C@H](C)O1 ZINC001142101977 804694814 /nfs/dbraw/zinc/69/48/14/804694814.db2.gz LPZIDEHGFXEQOD-IUCAKERBSA-N -1 3 290.190 3.308 20 0 CGADHM [O-]c1cc(Cl)c(CN2CCCC23COC3)c(Cl)c1 ZINC001142114390 804696314 /nfs/dbraw/zinc/69/63/14/804696314.db2.gz GFTQUCNZELDDHT-UHFFFAOYSA-N -1 3 288.174 3.064 20 0 CGADHM COC[C@@H]1CCCCN1Cc1ccc(Cl)cc1C(=O)[O-] ZINC001142646831 804746881 /nfs/dbraw/zinc/74/68/81/804746881.db2.gz FZDPBOANJFBRRZ-ZDUSSCGKSA-N -1 3 297.782 3.039 20 0 CGADHM CSc1nc(NC(=O)C(C)=CC2CCC(C)CC2)n[n-]1 ZINC001142713001 804760455 /nfs/dbraw/zinc/76/04/55/804760455.db2.gz MGLKWLCLXWPDMA-CSKARUKUSA-N -1 3 294.424 3.238 20 0 CGADHM [O-]c1c(F)cc(F)cc1Nc1ncccc1OC(F)F ZINC001212481848 815036250 /nfs/dbraw/zinc/03/62/50/815036250.db2.gz MCNRMKIWLFQCSP-UHFFFAOYSA-N -1 3 288.200 3.410 20 0 CGADHM Cc1cnc(Nc2cc(F)cc(F)c2[O-])c(F)c1 ZINC001212481689 815036554 /nfs/dbraw/zinc/03/65/54/815036554.db2.gz DPEWDBJHDZFZGP-UHFFFAOYSA-N -1 3 254.211 3.257 20 0 CGADHM Nc1cccc2c1N(c1cc(F)cc(F)c1[O-])CCC2 ZINC001212489224 815039459 /nfs/dbraw/zinc/03/94/59/815039459.db2.gz JSYSVUSFYKSOBL-UHFFFAOYSA-N -1 3 276.286 3.337 20 0 CGADHM C[C@@H]1CCN(Cc2c(F)cc([O-])cc2F)[C@@H](C)C1 ZINC001144555180 805004255 /nfs/dbraw/zinc/00/42/55/805004255.db2.gz YNSZGOZPEDUONM-ZJUUUORDSA-N -1 3 255.308 3.291 20 0 CGADHM Cc1csc(NC(=O)Cc2ccc([O-])c(F)c2)c1 ZINC001144616188 805014954 /nfs/dbraw/zinc/01/49/54/805014954.db2.gz GEJXXAHAULDHIV-UHFFFAOYSA-N -1 3 265.309 3.082 20 0 CGADHM [O-]c1cc(F)c(CN2CCC3(CC3)CC2)cc1F ZINC001144648443 805023630 /nfs/dbraw/zinc/02/36/30/805023630.db2.gz SQRNDKCYXAWAKF-UHFFFAOYSA-N -1 3 253.292 3.046 20 0 CGADHM C[C@H]1C[C@H](C)CN(Cc2cc(F)c([O-])cc2F)C1 ZINC001144658510 805026465 /nfs/dbraw/zinc/02/64/65/805026465.db2.gz ZKZJLFQFEUAQLO-UWVGGRQHSA-N -1 3 255.308 3.148 20 0 CGADHM Cc1ccc2c(c1)CN(Cc1sccc1C(=O)[O-])CC2 ZINC001144664464 805027611 /nfs/dbraw/zinc/02/76/11/805027611.db2.gz IASPZCJSLWGYSD-UHFFFAOYSA-N -1 3 287.384 3.313 20 0 CGADHM O=C([O-])c1ccsc1CN1CC[C@H](F)C(F)(F)CC1 ZINC001144664308 805029416 /nfs/dbraw/zinc/02/94/16/805029416.db2.gz DNXSIKNZPQQOAF-JTQLQIEISA-N -1 3 293.310 3.016 20 0 CGADHM Cc1ccc(C(=O)N(C)Cc2cnc(Cl)s2)c([O-])c1 ZINC001148499192 805189610 /nfs/dbraw/zinc/18/96/10/805189610.db2.gz YYNDWAXSJIFAFL-UHFFFAOYSA-N -1 3 296.779 3.083 20 0 CGADHM Cc1c(N)c(F)ccc1Nc1ccc([O-])c(F)c1F ZINC001249636155 805196138 /nfs/dbraw/zinc/19/61/38/805196138.db2.gz JRRQOUXRXFZLOG-UHFFFAOYSA-N -1 3 268.238 3.444 20 0 CGADHM Cc1nc2ccccc2c(C(=O)N2C3CCC2CC3)c1[O-] ZINC001149196684 805224263 /nfs/dbraw/zinc/22/42/63/805224263.db2.gz MAEFJFXGZDCYQU-UHFFFAOYSA-N -1 3 282.343 3.016 20 0 CGADHM Cc1nc2ccccc2c(C(=O)N2C[C@H](C)CC23CC3)c1[O-] ZINC001149194864 805224704 /nfs/dbraw/zinc/22/47/04/805224704.db2.gz CTUTWJJOYPTRCL-LLVKDONJSA-N -1 3 296.370 3.263 20 0 CGADHM COc1cc(Nc2c(F)cc([O-])cc2F)ccc1N ZINC001249727642 805227225 /nfs/dbraw/zinc/22/72/25/805227225.db2.gz CVKDVRQCQBVTRP-UHFFFAOYSA-N -1 3 266.247 3.005 20 0 CGADHM CCc1ccc(C(=O)NCc2ccc(OC)cc2C)c([O-])c1 ZINC001149750089 805243397 /nfs/dbraw/zinc/24/33/97/805243397.db2.gz ZYHKUWHABPUBFH-UHFFFAOYSA-N -1 3 299.370 3.202 20 0 CGADHM CCc1ccc(C(=O)N[C@@H](C)c2cnc(C)s2)c([O-])c1 ZINC001151123909 805283216 /nfs/dbraw/zinc/28/32/16/805283216.db2.gz FTFKYIGFAWLFLE-VIFPVBQESA-N -1 3 290.388 3.211 20 0 CGADHM Cc1cc(-c2noc(-c3ccc([O-])cn3)n2)c(F)cc1F ZINC001212558124 815068592 /nfs/dbraw/zinc/06/85/92/815068592.db2.gz SLZAIYRHKZYTQT-UHFFFAOYSA-N -1 3 289.241 3.091 20 0 CGADHM C[C@@H](NC(=O)c1cc2sccc2c([O-])c1)c1ccc[nH]1 ZINC001153407635 805394909 /nfs/dbraw/zinc/39/49/09/805394909.db2.gz DSCFNHOOKJFMHM-SECBINFHSA-N -1 3 286.356 3.426 20 0 CGADHM CCOc1cc(F)c(Nc2cnc(C)[n-]c2=O)cc1Cl ZINC001250068206 805400763 /nfs/dbraw/zinc/40/07/63/805400763.db2.gz YUWQFMMXSWQMKR-UHFFFAOYSA-N -1 3 297.717 3.425 20 0 CGADHM Cc1cccc([O-])c1C(=O)NC1CC(Nc2ccccc2)C1 ZINC001154260175 805444613 /nfs/dbraw/zinc/44/46/13/805444613.db2.gz XBLBBJQLYPEWBH-UHFFFAOYSA-N -1 3 296.370 3.074 20 0 CGADHM Cc1cc2ncc(C)c(Nc3ccc(Cl)c([O-])c3)n2n1 ZINC001212588702 815078563 /nfs/dbraw/zinc/07/85/63/815078563.db2.gz ZEMOSXHCVUPXOU-UHFFFAOYSA-N -1 3 288.738 3.449 20 0 CGADHM COC(=O)c1cc(N)c(Nc2ccc(Cl)c([O-])c2)s1 ZINC001212589244 815078602 /nfs/dbraw/zinc/07/86/02/815078602.db2.gz BZRXLJQVDYYMSO-UHFFFAOYSA-N -1 3 298.751 3.220 20 0 CGADHM O=C1Cc2ccc(Nc3ccc(Cl)c([O-])c3)cc2N1 ZINC001212592993 815079620 /nfs/dbraw/zinc/07/96/20/815079620.db2.gz APQYJOZMESDPCQ-UHFFFAOYSA-N -1 3 274.707 3.284 20 0 CGADHM O=C1NCc2c(Nc3ccc(Cl)c([O-])c3)cccc2N1 ZINC001212595489 815080818 /nfs/dbraw/zinc/08/08/18/815080818.db2.gz WNODRBKQBSZRMH-UHFFFAOYSA-N -1 3 289.722 3.424 20 0 CGADHM [O-]c1ccc(Cc2ccncc2)cc1C(F)(F)F ZINC001250312508 805559623 /nfs/dbraw/zinc/55/96/23/805559623.db2.gz GBPFCHKDVHTXBJ-UHFFFAOYSA-N -1 3 253.223 3.397 20 0 CGADHM COC(=O)c1cc(Nc2ncc(Cl)cc2[O-])ccc1C ZINC001212623439 815087140 /nfs/dbraw/zinc/08/71/40/815087140.db2.gz HXJJQFLTSQMOGA-UHFFFAOYSA-N -1 3 292.722 3.279 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2ccccc2NC(C)=O)c1 ZINC001167235272 807169024 /nfs/dbraw/zinc/16/90/24/807169024.db2.gz DNOKEVXFSLDSPH-UHFFFAOYSA-N -1 3 298.342 3.165 20 0 CGADHM O=c1[n-]c(NCCOC(F)(F)F)c(Cl)cc1Cl ZINC001168166995 807330271 /nfs/dbraw/zinc/33/02/71/807330271.db2.gz LCKCWLFVAQHOGN-UHFFFAOYSA-N -1 3 291.056 3.042 20 0 CGADHM Cc1ccc(Cl)c(-c2noc(-c3cncc([O-])c3)n2)c1 ZINC001212709011 815110022 /nfs/dbraw/zinc/11/00/22/815110022.db2.gz ZIOGHLCNYLGOFD-UHFFFAOYSA-N -1 3 287.706 3.466 20 0 CGADHM COc1ccc([C@@H]2C[C@@H](NC3=CC=C[CH]3)CCO2)cc1 ZINC001168604474 807455541 /nfs/dbraw/zinc/45/55/41/807455541.db2.gz ACCUPZYLOOTDRV-RDJZCZTQSA-N -1 3 270.352 3.163 20 0 CGADHM [O-]c1cccnc1CNc1ccc(-c2ccno2)cc1 ZINC001169731340 807699584 /nfs/dbraw/zinc/69/95/84/807699584.db2.gz OQHMOJWCVFCZOK-UHFFFAOYSA-N -1 3 267.288 3.054 20 0 CGADHM Cc1cc(OC(C)C)ccc1NCc1ncccc1[O-] ZINC001169732661 807701468 /nfs/dbraw/zinc/70/14/68/807701468.db2.gz OKAMRLCHFFLEJW-UHFFFAOYSA-N -1 3 272.348 3.495 20 0 CGADHM COc1cc(C(F)(F)F)ccc1NCc1ncccc1[O-] ZINC001169733473 807701879 /nfs/dbraw/zinc/70/18/79/807701879.db2.gz UXFRXJQMUFLKKF-UHFFFAOYSA-N -1 3 298.264 3.427 20 0 CGADHM CC[C@@H](C)S(=O)(=O)[N-]c1ccc(F)cc1OC(C)C ZINC001260743769 807704583 /nfs/dbraw/zinc/70/45/83/807704583.db2.gz QYHWMXCCBMRARZ-SNVBAGLBSA-N -1 3 289.372 3.153 20 0 CGADHM Cc1ccc([N-]S(=O)(=O)c2cccc(C)c2C)cc1 ZINC001260991353 807708223 /nfs/dbraw/zinc/70/82/23/807708223.db2.gz HNVVAIRYHAWGLL-UHFFFAOYSA-N -1 3 275.373 3.413 20 0 CGADHM CC(C)(C)O[N-]C(=O)Cc1ccccc1OC1CCCC1 ZINC001261362071 807738427 /nfs/dbraw/zinc/73/84/27/807738427.db2.gz NQERZMNJJJFMJP-UHFFFAOYSA-N -1 3 291.391 3.397 20 0 CGADHM CO[C@H]1CC=C(Nc2ccc(-n3ccc(=O)[n-]3)cc2)CC1 ZINC001212886994 815176923 /nfs/dbraw/zinc/17/69/23/815176923.db2.gz XPBFDSVVQUJMSJ-HNNXBMFYSA-N -1 3 285.347 3.073 20 0 CGADHM O=c1ccn(-c2ccc(Nc3ccccc3)cc2)[n-]1 ZINC001173795038 808672643 /nfs/dbraw/zinc/67/26/43/808672643.db2.gz JIVBMAWHKWDFGP-UHFFFAOYSA-N -1 3 251.289 3.322 20 0 CGADHM COc1ccccc1Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001173838782 808701814 /nfs/dbraw/zinc/70/18/14/808701814.db2.gz QDVBBCSSJVRLMJ-UHFFFAOYSA-N -1 3 281.315 3.330 20 0 CGADHM COc1ccc(OC)c([N-]c2noc(C(C)(C)C)n2)c1 ZINC001173915498 808758132 /nfs/dbraw/zinc/75/81/32/808758132.db2.gz AGDNLRXDFIGQJY-UHFFFAOYSA-N -1 3 277.324 3.128 20 0 CGADHM COc1ccc(OC)c(Nc2ccc([O-])c(F)c2F)c1 ZINC001173919355 808759881 /nfs/dbraw/zinc/75/98/81/808759881.db2.gz XNWDAMQTBUJQPV-UHFFFAOYSA-N -1 3 281.258 3.431 20 0 CGADHM COc1ccc2cc(Nc3cc(=O)[n-]c(C)n3)ccc2c1 ZINC001174030800 808831528 /nfs/dbraw/zinc/83/15/28/808831528.db2.gz XIEIOYJSONUUEJ-UHFFFAOYSA-N -1 3 281.315 3.396 20 0 CGADHM CNC(=O)c1cccc(Nc2nc3c(cccc3[O-])s2)c1 ZINC001174138404 808886297 /nfs/dbraw/zinc/88/62/97/808886297.db2.gz QRALWTOGMDZVOH-UHFFFAOYSA-N -1 3 299.355 3.105 20 0 CGADHM Nc1ccc(Nc2cc([O-])c(F)cc2F)c(F)c1 ZINC001174482686 809038285 /nfs/dbraw/zinc/03/82/85/809038285.db2.gz ZJCDBOCZVRQIDA-UHFFFAOYSA-N -1 3 254.211 3.135 20 0 CGADHM CCO[C@H](C)n1cc(Nc2cc([O-])c(F)cc2F)cn1 ZINC001174698928 809135558 /nfs/dbraw/zinc/13/55/58/809135558.db2.gz LQFLXMYPUMRIKM-MRVPVSSYSA-N -1 3 283.278 3.166 20 0 CGADHM Cc1ccc(Nc2ncc(Br)cc2[O-])cc1N ZINC001174931216 809203884 /nfs/dbraw/zinc/20/38/84/809203884.db2.gz WUVHPWFOZVAKHT-UHFFFAOYSA-N -1 3 294.152 3.184 20 0 CGADHM [O-]c1c(F)cc(Nc2ccc(Cl)cn2)cc1F ZINC001213370344 815270838 /nfs/dbraw/zinc/27/08/38/815270838.db2.gz DXFYGHTYPGPXNY-UHFFFAOYSA-N -1 3 256.639 3.462 20 0 CGADHM CCOc1cccc(Nc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC001175090871 809265982 /nfs/dbraw/zinc/26/59/82/809265982.db2.gz VOWWAJRFOALKLS-UHFFFAOYSA-N -1 3 271.320 3.202 20 0 CGADHM [O-]c1cc(F)c(Nc2cc(O)ccc2F)c(F)c1 ZINC001175096447 809268656 /nfs/dbraw/zinc/26/86/56/809268656.db2.gz ATELSXZPNWVSEK-UHFFFAOYSA-N -1 3 255.195 3.259 20 0 CGADHM [O-]c1cc(F)c(Nc2ncc(C(F)(F)F)cn2)c(F)c1 ZINC001175094821 809268745 /nfs/dbraw/zinc/26/87/45/809268745.db2.gz SIUBDHHVZRCYSB-UHFFFAOYSA-N -1 3 291.179 3.223 20 0 CGADHM [O-]c1cc(F)c(Nc2ccc(F)cc2CO)c(F)c1 ZINC001175099404 809270092 /nfs/dbraw/zinc/27/00/92/809270092.db2.gz FHQCCHDZLWCHNU-UHFFFAOYSA-N -1 3 269.222 3.045 20 0 CGADHM [O-]c1cc(F)c(Nc2ccc3nnsc3c2)c(F)c1 ZINC001175099441 809270767 /nfs/dbraw/zinc/27/07/67/809270767.db2.gz HASHDYAZKQMWNK-UHFFFAOYSA-N -1 3 279.271 3.419 20 0 CGADHM CN1CCc2cc(Nc3c(F)cc([O-])cc3F)ccc21 ZINC001175103759 809272905 /nfs/dbraw/zinc/27/29/05/809272905.db2.gz YTOXYGMQTACSQO-UHFFFAOYSA-N -1 3 276.286 3.406 20 0 CGADHM NC(=O)c1ccc(Nc2ccc(Cl)c(F)c2)cc1[O-] ZINC001175206470 809308226 /nfs/dbraw/zinc/30/82/26/809308226.db2.gz YQPPQMUVVBCFRH-UHFFFAOYSA-N -1 3 280.686 3.027 20 0 CGADHM CCOc1ccc(Nc2c(F)ccc([O-])c2F)cn1 ZINC001175262772 809327781 /nfs/dbraw/zinc/32/77/81/809327781.db2.gz KMULAEUGBDPFHM-UHFFFAOYSA-N -1 3 266.247 3.208 20 0 CGADHM Cc1sc(Nc2c(F)ccc([O-])c2F)c(C(N)=O)c1C ZINC001175262322 809327916 /nfs/dbraw/zinc/32/79/16/809327916.db2.gz CVIPKHROINVAKE-UHFFFAOYSA-N -1 3 298.314 3.191 20 0 CGADHM CC(C)n1cnc(Nc2c(F)ccc([O-])c2F)c1 ZINC001175266183 809330619 /nfs/dbraw/zinc/33/06/19/809330619.db2.gz QOSBCXNDYRTLSH-UHFFFAOYSA-N -1 3 253.252 3.191 20 0 CGADHM Nc1cccc2c1ccn2-c1c(F)ccc([O-])c1F ZINC001175268088 809332877 /nfs/dbraw/zinc/33/28/77/809332877.db2.gz GYVKICOYKJOMBF-UHFFFAOYSA-N -1 3 260.243 3.197 20 0 CGADHM COC(=O)c1ccc(Nc2c(F)ccc([O-])c2F)cc1F ZINC001175268733 809332893 /nfs/dbraw/zinc/33/28/93/809332893.db2.gz RQKSKSDXRGCBGJ-UHFFFAOYSA-N -1 3 297.232 3.340 20 0 CGADHM Cc1cc(O)ccc1Nc1c(F)ccc([O-])c1F ZINC001175268742 809333194 /nfs/dbraw/zinc/33/31/94/809333194.db2.gz SBJIXBHATILWOF-UHFFFAOYSA-N -1 3 251.232 3.428 20 0 CGADHM [O-]c1ccc(F)c(Nc2cccc3c2OCC[C@@H]3O)c1F ZINC001175269144 809333852 /nfs/dbraw/zinc/33/38/52/809333852.db2.gz DQVLWUASQGTYPX-NSHDSACASA-N -1 3 293.269 3.230 20 0 CGADHM CC(=O)Nc1ccc(O)c(Nc2c(F)ccc([O-])c2F)c1 ZINC001175271095 809333864 /nfs/dbraw/zinc/33/38/64/809333864.db2.gz RTHVMDZRJCTUDT-UHFFFAOYSA-N -1 3 294.257 3.078 20 0 CGADHM Cc1c(Nc2ccc(C(N)=O)c([O-])c2)cccc1C1CC1 ZINC001213477777 815287813 /nfs/dbraw/zinc/28/78/13/815287813.db2.gz AFZZYDVLRSMNHI-UHFFFAOYSA-N -1 3 282.343 3.421 20 0 CGADHM Cc1cccc(-c2noc(-c3cc(Cl)n[n-]3)n2)c1 ZINC001213500674 815291148 /nfs/dbraw/zinc/29/11/48/815291148.db2.gz OUYJVYZUEFRTNR-UHFFFAOYSA-N -1 3 260.684 3.089 20 0 CGADHM Cc1ccc(F)cc1-c1noc(-c2cc(Cl)n[n-]2)n1 ZINC001213500589 815291505 /nfs/dbraw/zinc/29/15/05/815291505.db2.gz KJGGQILNHCZMLW-UHFFFAOYSA-N -1 3 278.674 3.228 20 0 CGADHM CC(C)c1ccc(C(=O)N[C@@H]2CSC2(C)C)c([O-])c1 ZINC001296849683 809509892 /nfs/dbraw/zinc/50/98/92/809509892.db2.gz WEEYPQJWVOYEMH-CYBMUJFWSA-N -1 3 279.405 3.139 20 0 CGADHM C[C@@H](CCc1ccc(F)cc1)C(=O)[N-]OCCC1CC1 ZINC001298486418 809532703 /nfs/dbraw/zinc/53/27/03/809532703.db2.gz IEDWQUAPZZMJGP-LBPRGKRZSA-N -1 3 279.355 3.242 20 0 CGADHM CCCn1nc(C)cc1Nc1cc(F)c([O-])cc1F ZINC001175805451 809549155 /nfs/dbraw/zinc/54/91/55/809549155.db2.gz ZIQZGNMPBTUYDY-UHFFFAOYSA-N -1 3 267.279 3.329 20 0 CGADHM Cc1ccc(C(=O)N[C@H]2C[C@]2(F)c2ccccc2)c([O-])c1 ZINC001299748188 809554484 /nfs/dbraw/zinc/55/44/84/809554484.db2.gz GMKAGZFATZSEOQ-RDJZCZTQSA-N -1 3 285.318 3.068 20 0 CGADHM O=c1[n-]c(C2CC2)nc2c1CN(CCCC1CCCC1)C2 ZINC001175862463 809559862 /nfs/dbraw/zinc/55/98/62/809559862.db2.gz VRSHOKWHNPROPN-UHFFFAOYSA-N -1 3 287.407 3.346 20 0 CGADHM Cc1cc(C(=O)[N-]c2nc(C(C)C)ns2)sc1C=O ZINC001303337549 809609524 /nfs/dbraw/zinc/60/95/24/809609524.db2.gz AUBUGXSZOJLMPK-UHFFFAOYSA-N -1 3 295.389 3.096 20 0 CGADHM CC(C)(C)c1nc([N-]c2ccc3c(c2)CCC3=O)no1 ZINC001176232876 809652881 /nfs/dbraw/zinc/65/28/81/809652881.db2.gz SVQUWNUQZNIZAU-UHFFFAOYSA-N -1 3 271.320 3.240 20 0 CGADHM COc1ccc(Nc2cc(F)c([O-])c(F)c2)cc1O ZINC001176258455 809656971 /nfs/dbraw/zinc/65/69/71/809656971.db2.gz LVWRXOKUXZLMKK-UHFFFAOYSA-N -1 3 267.231 3.128 20 0 CGADHM O=c1cc(Nc2ccc3cc(O)ccc3c2)[nH]c(=S)[n-]1 ZINC001176386432 809683120 /nfs/dbraw/zinc/68/31/20/809683120.db2.gz LNVSXVRUYXCNIK-UHFFFAOYSA-N -1 3 285.328 3.073 20 0 CGADHM [O-]c1cc(F)cnc1Nc1cccc(OCC2CC2)c1 ZINC001176493602 809708012 /nfs/dbraw/zinc/70/80/12/809708012.db2.gz UXLLUKAOHUYWGA-UHFFFAOYSA-N -1 3 274.295 3.459 20 0 CGADHM Cc1cc(Nc2ccc(C(N)=O)c([O-])c2)c(F)cc1Cl ZINC001176525874 809710596 /nfs/dbraw/zinc/71/05/96/809710596.db2.gz LYOGSVOQVIIAEI-UHFFFAOYSA-N -1 3 294.713 3.336 20 0 CGADHM O=C(CCCCc1cccs1)Nc1ncccc1[O-] ZINC001177485086 809801028 /nfs/dbraw/zinc/80/10/28/809801028.db2.gz TVDFKRDPCXXZNB-UHFFFAOYSA-N -1 3 276.361 3.200 20 0 CGADHM Cc1cc(F)cc(-c2noc(-c3nc(C)ccc3[O-])n2)c1 ZINC001213699270 815323429 /nfs/dbraw/zinc/32/34/29/815323429.db2.gz AMHZPCVDGIOOGQ-UHFFFAOYSA-N -1 3 285.278 3.260 20 0 CGADHM CC(C)c1ccnc(CC(=O)Nc2ccc(F)c([O-])c2)c1 ZINC001178226485 809853069 /nfs/dbraw/zinc/85/30/69/809853069.db2.gz SAQRMXWJFAARAZ-UHFFFAOYSA-N -1 3 288.322 3.231 20 0 CGADHM CC(=O)c1ccc(C(=O)Nc2cccnc2C2CC2)cc1[O-] ZINC001180184327 809981844 /nfs/dbraw/zinc/98/18/44/809981844.db2.gz MJGPHHSJSHEJQF-UHFFFAOYSA-N -1 3 296.326 3.120 20 0 CGADHM O=C(Nc1ccc(F)c([O-])c1)[C@@H]1C[C@@H]1c1ccccc1F ZINC001182287948 810102567 /nfs/dbraw/zinc/10/25/67/810102567.db2.gz SGHOAPIHDLYLEN-VXGBXAGGSA-N -1 3 289.281 3.413 20 0 CGADHM O=C(Nc1ccc(F)c([O-])c1)C1CCC2(CC2)CC1 ZINC001183881628 810166807 /nfs/dbraw/zinc/16/68/07/810166807.db2.gz JTSHNTCCSTVJAQ-UHFFFAOYSA-N -1 3 263.312 3.440 20 0 CGADHM C[C@@H](C(=O)Nc1ncccc1[O-])c1ccccc1Cl ZINC001184471042 810201614 /nfs/dbraw/zinc/20/16/14/810201614.db2.gz JVXGLDNCNVXDMQ-SECBINFHSA-N -1 3 276.723 3.183 20 0 CGADHM Cc1ccc(F)c(NC(=O)Nc2nc(C)ccc2[O-])c1 ZINC001185228640 810247542 /nfs/dbraw/zinc/24/75/42/810247542.db2.gz HZAVKCAWUHCWES-UHFFFAOYSA-N -1 3 275.283 3.187 20 0 CGADHM COc1cccc(CC(=O)Nc2ccc(F)c([O-])c2)c1C ZINC001186475299 810340447 /nfs/dbraw/zinc/34/04/47/810340447.db2.gz KVHFKQRHWSXSQD-UHFFFAOYSA-N -1 3 289.306 3.030 20 0 CGADHM Cc1ccc(-c2noc(-c3ccc(F)c(=O)[n-]3)n2)cc1F ZINC001214084960 815365883 /nfs/dbraw/zinc/36/58/83/815365883.db2.gz AOHJCPCSTXNSLJ-UHFFFAOYSA-N -1 3 289.241 3.091 20 0 CGADHM CC(C)(C)Oc1ccc(C(=O)Nc2cncc([O-])c2)cc1 ZINC001187350308 810395453 /nfs/dbraw/zinc/39/54/53/810395453.db2.gz VWBJANOOEUAZJW-UHFFFAOYSA-N -1 3 286.331 3.217 20 0 CGADHM Cc1cccc([O-])c1C(=O)NC1CC2(C1)CC(F)(F)C2 ZINC001188659757 810500040 /nfs/dbraw/zinc/50/00/40/810500040.db2.gz OAIDBNRZQZSEIS-UHFFFAOYSA-N -1 3 281.302 3.008 20 0 CGADHM Cc1cccc([O-])c1C(=O)Nc1cc(O)cc(Cl)c1 ZINC001188654442 810500289 /nfs/dbraw/zinc/50/02/89/810500289.db2.gz BBCWMUYZHKOSQA-UHFFFAOYSA-N -1 3 277.707 3.312 20 0 CGADHM Cc1cccc([O-])c1C(=O)NCC(C)(C)CC1CC1 ZINC001188659781 810500472 /nfs/dbraw/zinc/50/04/72/810500472.db2.gz YKIFHIDKXKAKAX-UHFFFAOYSA-N -1 3 261.365 3.257 20 0 CGADHM Cc1cccc(C2(NC(=O)c3c(C)cccc3[O-])CC2)c1 ZINC001188658230 810500822 /nfs/dbraw/zinc/50/08/22/810500822.db2.gz BPPQPIKHXBTYOU-UHFFFAOYSA-N -1 3 281.355 3.428 20 0 CGADHM O=C(Nc1cncc([O-])c1)c1nc(-c2ccccc2)cs1 ZINC001191038573 810665912 /nfs/dbraw/zinc/66/59/12/810665912.db2.gz GAWRIJYOVHCMMM-UHFFFAOYSA-N -1 3 297.339 3.163 20 0 CGADHM O=S(=O)(CC1CCCC1)[N-]c1cccc2occc21 ZINC001191535356 810723233 /nfs/dbraw/zinc/72/32/33/810723233.db2.gz KCABNACFVOOBQI-UHFFFAOYSA-N -1 3 279.361 3.365 20 0 CGADHM COCOc1cccc(Cl)c1Nc1ncc(F)cc1[O-] ZINC001214307149 815395257 /nfs/dbraw/zinc/39/52/57/815395257.db2.gz SLWZPZFHDVMNNB-UHFFFAOYSA-N -1 3 298.701 3.306 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])OC1CCCCC1 ZINC001193629851 810923425 /nfs/dbraw/zinc/92/34/25/810923425.db2.gz XYQWZVZUGCXZBP-UHFFFAOYSA-N -1 3 253.273 3.413 20 0 CGADHM CC(C)COC(=O)Nc1c([O-])cccc1Br ZINC001193836689 810965435 /nfs/dbraw/zinc/96/54/35/810965435.db2.gz REFHBYGDBCPBAU-UHFFFAOYSA-N -1 3 288.141 3.359 20 0 CGADHM CC(=O)c1cccc(NC(=O)Oc2ccccc2)c1[O-] ZINC001194254707 811042188 /nfs/dbraw/zinc/04/21/88/811042188.db2.gz WMPHNONTDCVPIE-UHFFFAOYSA-N -1 3 271.272 3.206 20 0 CGADHM Nc1ccc2ncn(-c3c(Cl)ccc([O-])c3F)c2c1 ZINC001214561286 815424518 /nfs/dbraw/zinc/42/45/18/815424518.db2.gz DLOQZTZIZPZTHT-UHFFFAOYSA-N -1 3 277.686 3.106 20 0 CGADHM [O-]c1ccc(Cl)c(Nc2cncc(O)c2)c1F ZINC001214555933 815423166 /nfs/dbraw/zinc/42/31/66/815423166.db2.gz BFEUCMRDRQGUGB-UHFFFAOYSA-N -1 3 254.648 3.029 20 0 CGADHM CC(=O)c1cccc([O-])c1NC(=O)c1ccc(C2CC2)cn1 ZINC001195617443 811269721 /nfs/dbraw/zinc/26/97/21/811269721.db2.gz BCSVQGCIHDXYKV-UHFFFAOYSA-N -1 3 296.326 3.120 20 0 CGADHM COc1ccc(C)c(F)c1Nc1cc(=O)[n-]c(C2CC2)n1 ZINC001214624691 815434641 /nfs/dbraw/zinc/43/46/41/815434641.db2.gz BZALDTKBUVHZQD-UHFFFAOYSA-N -1 3 289.310 3.259 20 0 CGADHM Cc1ccnc(F)c1C(=O)Nc1cc([O-])cc(Cl)c1 ZINC001199718429 811591060 /nfs/dbraw/zinc/59/10/60/811591060.db2.gz WYCREMRGRCXAEK-UHFFFAOYSA-N -1 3 280.686 3.140 20 0 CGADHM CC[C@@H](C)NC(=S)Nc1ccc(C(F)(F)F)cc1[O-] ZINC001200481747 811701024 /nfs/dbraw/zinc/70/10/24/811701024.db2.gz FLLKNMPDIISMKN-SSDOTTSWSA-N -1 3 292.326 3.496 20 0 CGADHM CCCCOc1ccc([N-]c2nonc2N)cc1Cl ZINC001201480303 811856203 /nfs/dbraw/zinc/85/62/03/811856203.db2.gz AAYQFFXDGBEJMX-UHFFFAOYSA-N -1 3 282.731 3.228 20 0 CGADHM CC(=O)c1ccccc1-c1noc(-c2ccccc2[O-])n1 ZINC001215142243 815488114 /nfs/dbraw/zinc/48/81/14/815488114.db2.gz SSFWAZUQNZQFKV-UHFFFAOYSA-N -1 3 280.283 3.312 20 0 CGADHM Fc1ccc2nc([N-]c3cnn(C(F)F)c3)oc2c1 ZINC001201723131 811947315 /nfs/dbraw/zinc/94/73/15/811947315.db2.gz NHSDLUBJPYUXPM-UHFFFAOYSA-N -1 3 268.198 3.302 20 0 CGADHM Cc1cnc(Nc2cc(F)c([O-])cc2F)c(C)c1 ZINC001215571774 815537194 /nfs/dbraw/zinc/53/71/94/815537194.db2.gz GMRWWHJIVRZOOL-UHFFFAOYSA-N -1 3 250.248 3.426 20 0 CGADHM [O-]c1cc(F)c(Nc2cncc(C(F)(F)F)n2)cc1F ZINC001215570919 815537548 /nfs/dbraw/zinc/53/75/48/815537548.db2.gz QUJMZOWWRDACKL-UHFFFAOYSA-N -1 3 291.179 3.223 20 0 CGADHM [O-]c1cc(F)c(Nc2nccnc2C(F)(F)F)cc1F ZINC001215572598 815537586 /nfs/dbraw/zinc/53/75/86/815537586.db2.gz MMDHULSACJTINP-UHFFFAOYSA-N -1 3 291.179 3.223 20 0 CGADHM Cc1ccc(Nc2cnn(CC(C)(C)O)c2)c(Cl)c1[O-] ZINC001204234170 812581694 /nfs/dbraw/zinc/58/16/94/812581694.db2.gz XHBHZANNQWRFTA-UHFFFAOYSA-N -1 3 295.770 3.065 20 0 CGADHM [O-]c1cc(F)c(Nc2cn(CC(F)(F)F)cn2)cc1F ZINC001215572696 815538873 /nfs/dbraw/zinc/53/88/73/815538873.db2.gz QMMJCBOZUDUHRX-UHFFFAOYSA-N -1 3 293.195 3.173 20 0 CGADHM Nc1cc2c(cnn2-c2cc(F)c([O-])cc2F)c(Cl)c1 ZINC001215573279 815538957 /nfs/dbraw/zinc/53/89/57/815538957.db2.gz ASQYECQMQHSOCM-UHFFFAOYSA-N -1 3 295.676 3.245 20 0 CGADHM CCc1cc(Nc2ccc(Cl)c(C(=O)[O-])c2F)ccn1 ZINC001215696067 815560201 /nfs/dbraw/zinc/56/02/01/815560201.db2.gz JQAAJCKYBUXNCH-UHFFFAOYSA-N -1 3 294.713 3.300 20 0 CGADHM Cc1cc2c(cc1NCc1ccc([O-])c(F)c1)OCO2 ZINC001205385472 812976906 /nfs/dbraw/zinc/97/69/06/812976906.db2.gz HPAHOWVWKRSAFA-UHFFFAOYSA-N -1 3 275.279 3.181 20 0 CGADHM Oc1ccc2cc(-c3ccccc3-c3nnn[n-]3)ccc2c1 ZINC001205765177 813071267 /nfs/dbraw/zinc/07/12/67/813071267.db2.gz QQSYTOSVAXKPSD-UHFFFAOYSA-N -1 3 288.310 3.393 20 0 CGADHM Oc1ccc2cc(-c3ccccc3-c3nn[n-]n3)ccc2c1 ZINC001205765177 813071273 /nfs/dbraw/zinc/07/12/73/813071273.db2.gz QQSYTOSVAXKPSD-UHFFFAOYSA-N -1 3 288.310 3.393 20 0 CGADHM COc1ccc2c(C)nc(-c3ccc([O-])cc3F)nc2c1 ZINC001206030224 813172963 /nfs/dbraw/zinc/17/29/63/813172963.db2.gz QJHOZVLROSCOFZ-UHFFFAOYSA-N -1 3 284.290 3.459 20 0 CGADHM CC(C)(C)NC(=O)c1cccnc1-c1ccc([O-])cc1F ZINC001206038124 813177136 /nfs/dbraw/zinc/17/71/36/813177136.db2.gz SGNLNRTXAUATFR-UHFFFAOYSA-N -1 3 288.322 3.122 20 0 CGADHM CC(C)S(=O)(=O)c1ccccc1-c1ccc([O-])cc1F ZINC001206052047 813183364 /nfs/dbraw/zinc/18/33/64/813183364.db2.gz ZDRRURHTCRZCGN-UHFFFAOYSA-N -1 3 294.347 3.380 20 0 CGADHM CC(=O)c1cc(-c2ccc3c(c2)[N-]C(=S)C3)ccn1 ZINC001242612535 823061737 /nfs/dbraw/zinc/06/17/37/823061737.db2.gz SAPRKBGNSBWVGY-UHFFFAOYSA-N -1 3 268.341 3.247 20 0 CGADHM [O-]c1ccc(Nc2ccc3[nH]cnc3c2)c(F)c1F ZINC001209848123 814166828 /nfs/dbraw/zinc/16/68/28/814166828.db2.gz HZCUULVNHIWVQO-UHFFFAOYSA-N -1 3 261.231 3.290 20 0 CGADHM COc1cc(C)c(Nc2nc3c(cccc3[O-])s2)cn1 ZINC001209867443 814176868 /nfs/dbraw/zinc/17/68/68/814176868.db2.gz DFVSTYNZOQXIDO-UHFFFAOYSA-N -1 3 287.344 3.458 20 0 CGADHM Cc1nnc([N-]c2ccc(C(F)(F)F)c(F)c2)o1 ZINC001209912179 814197494 /nfs/dbraw/zinc/19/74/94/814197494.db2.gz ZQWYOHZCZVGDFT-UHFFFAOYSA-N -1 3 261.178 3.280 20 0 CGADHM Cc1cc(Nc2cc(F)c([O-])c(F)c2)ccc1O ZINC001209975538 814226331 /nfs/dbraw/zinc/22/63/31/814226331.db2.gz SPEDUEUFJXPOIJ-UHFFFAOYSA-N -1 3 251.232 3.428 20 0 CGADHM COc1ccc2ccccc2c1Nc1cc(=O)[n-]c(C)n1 ZINC001210168103 814319637 /nfs/dbraw/zinc/31/96/37/814319637.db2.gz DPKKELYSRHKIRI-UHFFFAOYSA-N -1 3 281.315 3.396 20 0 CGADHM C[C@@H](O)c1ccnc(Nc2cccc(Cl)c2[O-])c1 ZINC001210220801 814348026 /nfs/dbraw/zinc/34/80/26/814348026.db2.gz ZGOMNDHYXZFJSL-MRVPVSSYSA-N -1 3 264.712 3.238 20 0 CGADHM [O-]c1c(Cl)cccc1Nc1cn(CC2CC2)cn1 ZINC001210221232 814348120 /nfs/dbraw/zinc/34/81/20/814348120.db2.gz YXGHCTXDYHRPQN-UHFFFAOYSA-N -1 3 263.728 3.396 20 0 CGADHM [O-]c1c(Cl)cccc1Nc1ccc[nH]c1=S ZINC001210220001 814349523 /nfs/dbraw/zinc/34/95/23/814349523.db2.gz UBBDEAIDOPGHDT-UHFFFAOYSA-N -1 3 252.726 3.473 20 0 CGADHM COC(=O)c1cc(O)ccc1Nc1cccc(Cl)c1[O-] ZINC001210221888 814349618 /nfs/dbraw/zinc/34/96/18/814349618.db2.gz BAINQKJILZNHHQ-UHFFFAOYSA-N -1 3 293.706 3.281 20 0 CGADHM O=C1OCc2c1cccc2Nc1cccc(Cl)c1[O-] ZINC001210223526 814351520 /nfs/dbraw/zinc/35/15/20/814351520.db2.gz YKNLPMKGWWRLDI-UHFFFAOYSA-N -1 3 275.691 3.460 20 0 CGADHM [O-]c1cc(Cl)cnc1Nc1ccc(OC(F)F)nc1 ZINC001210301184 814393532 /nfs/dbraw/zinc/39/35/32/814393532.db2.gz OJTXRCBRYSBCGU-UHFFFAOYSA-N -1 3 287.653 3.181 20 0 CGADHM Cc1nnc([N-]c2ccc3c(cnn3[C@H]3CCCCO3)c2)o1 ZINC001210331258 814409965 /nfs/dbraw/zinc/40/99/65/814409965.db2.gz GUTKFKFCILVAOJ-CQSZACIVSA-N -1 3 299.334 3.170 20 0 CGADHM NC(=O)c1ccc(NC2=CCCCCCC2)cc1[O-] ZINC001210448838 814461016 /nfs/dbraw/zinc/46/10/16/814461016.db2.gz BBRPHIHDAQHATG-UHFFFAOYSA-N -1 3 260.337 3.141 20 0 CGADHM CC(C)n1nccc1Nc1cc(F)c([O-])cc1F ZINC001210523679 814507172 /nfs/dbraw/zinc/50/71/72/814507172.db2.gz OBQJMPVVVMFOJH-UHFFFAOYSA-N -1 3 253.252 3.191 20 0 CGADHM Cc1nc(-c2cc([O-])cc(C(F)(F)F)c2)ncc1F ZINC001242780321 823131167 /nfs/dbraw/zinc/13/11/67/823131167.db2.gz OROFPWOCQABKAI-UHFFFAOYSA-N -1 3 272.201 3.316 20 0 CGADHM [O-]c1cccc(Nc2cn(CC3CC3)cn2)c1Cl ZINC001210853774 814651176 /nfs/dbraw/zinc/65/11/76/814651176.db2.gz JISGYOLSSBRONF-UHFFFAOYSA-N -1 3 263.728 3.396 20 0 CGADHM [O-]c1cccc(Nc2c(F)cccc2CO)c1Cl ZINC001210859127 814653763 /nfs/dbraw/zinc/65/37/63/814653763.db2.gz BPFCCBXWSVDWAA-UHFFFAOYSA-N -1 3 267.687 3.421 20 0 CGADHM O=c1cc(Nc2ccc(F)c(O)c2)[n-]n1-c1ccccc1 ZINC001211215057 814852357 /nfs/dbraw/zinc/85/23/57/814852357.db2.gz OQPKOAYKKWKIMN-UHFFFAOYSA-N -1 3 285.278 3.166 20 0 CGADHM Cn1cncc1Nc1ccc(Cl)c(Cl)c1[O-] ZINC001211251619 814861356 /nfs/dbraw/zinc/86/13/56/814861356.db2.gz KZBDVEBSZSPPBK-UHFFFAOYSA-N -1 3 258.108 3.176 20 0 CGADHM Cc1nc(Nc2ccnc(Oc3ccccc3)c2)cc(=O)[n-]1 ZINC001215775634 815586865 /nfs/dbraw/zinc/58/68/65/815586865.db2.gz XLCXVJJNQCJMQC-UHFFFAOYSA-N -1 3 294.314 3.422 20 0 CGADHM Nc1ccc(Nc2ncc(F)cc2[O-])cc1C(F)(F)F ZINC001216049692 815674023 /nfs/dbraw/zinc/67/40/23/815674023.db2.gz ASCUDFSKCGEIJL-UHFFFAOYSA-N -1 3 287.216 3.271 20 0 CGADHM [O-]c1cccc2sc(Nc3ccc(CO)cc3F)nc21 ZINC001216270078 815761859 /nfs/dbraw/zinc/76/18/59/815761859.db2.gz HSDSOXSCWMAOTO-UHFFFAOYSA-N -1 3 290.319 3.377 20 0 CGADHM Cc1cc([O-])c(-c2nc(-c3cc(C)nc(C)c3)no2)c(O)c1 ZINC001216271544 815762976 /nfs/dbraw/zinc/76/29/76/815762976.db2.gz FLJLHYUSGBUROE-UHFFFAOYSA-N -1 3 297.314 3.135 20 0 CGADHM COc1cc([O-])c(-c2nc(-c3ccccc3)no2)cc1OC ZINC001216743428 815896478 /nfs/dbraw/zinc/89/64/78/815896478.db2.gz WIWTUFPPXMTYMI-UHFFFAOYSA-N -1 3 298.298 3.126 20 0 CGADHM CCOc1cccc(-c2nc(-c3ccc(C)cn3)no2)c1[O-] ZINC001216956102 815903144 /nfs/dbraw/zinc/90/31/44/815903144.db2.gz KQCWQJXWODWPNG-UHFFFAOYSA-N -1 3 297.314 3.211 20 0 CGADHM O=c1cc(-c2ccc(F)c([O-])c2)ccn1C1CCC1 ZINC001243046888 823224266 /nfs/dbraw/zinc/22/42/66/823224266.db2.gz PIEVSCXUIDGHNP-UHFFFAOYSA-N -1 3 259.280 3.085 20 0 CGADHM CN(C)C(=O)Sc1ccc(-c2ccc(F)c([O-])c2)nc1 ZINC001243048759 823225661 /nfs/dbraw/zinc/22/56/61/823225661.db2.gz HNZPAOFTZVBCQQ-UHFFFAOYSA-N -1 3 292.335 3.367 20 0 CGADHM COc1ccc(-c2ccc(F)c([O-])c2)c(F)c1F ZINC001243049587 823226474 /nfs/dbraw/zinc/22/64/74/823226474.db2.gz RMIHOHZLYOLZSC-UHFFFAOYSA-N -1 3 254.207 3.485 20 0 CGADHM COC(=O)/C=C\c1ccc(-c2ccc(F)c([O-])c2)cc1 ZINC001243049818 823226606 /nfs/dbraw/zinc/22/66/06/823226606.db2.gz GKSRRFJTCCLPSK-WTKPLQERSA-N -1 3 272.275 3.385 20 0 CGADHM Cc1cc(-c2ccc(F)c([O-])c2)cc2c1NC(=O)CC2 ZINC001243061477 823232328 /nfs/dbraw/zinc/23/23/28/823232328.db2.gz GBWCREBJYJHYMB-UHFFFAOYSA-N -1 3 271.291 3.391 20 0 CGADHM COc1ccccc1[C@H](C)Oc1[n-]c(=S)ncc1C ZINC001225743439 817163687 /nfs/dbraw/zinc/16/36/87/817163687.db2.gz XGMBAOOFCWYAFX-JTQLQIEISA-N -1 3 276.361 3.222 20 0 CGADHM Cc1cnc(=S)[n-]c1O[C@H](C)COCc1ccccc1 ZINC001225742589 817163935 /nfs/dbraw/zinc/16/39/35/817163935.db2.gz MXEMLZDGCHBAOH-GFCCVEGCSA-N -1 3 290.388 3.058 20 0 CGADHM Cc1cnc(=S)[n-]c1O[C@@H](C)c1cccs1 ZINC001225743181 817164150 /nfs/dbraw/zinc/16/41/50/817164150.db2.gz UNYSZGRQFGHQHH-QMMMGPOBSA-N -1 3 252.364 3.275 20 0 CGADHM Cc1c(=O)[n-]cnc1O[C@H]1CCc2cc(Cl)ccc21 ZINC001226077622 817267551 /nfs/dbraw/zinc/26/75/51/817267551.db2.gz RXNYIMCRZPSFKR-LBPRGKRZSA-N -1 3 276.723 3.210 20 0 CGADHM CCC(CC)Oc1cc2c(C)cc(=O)oc2cc1[O-] ZINC001226533376 817389985 /nfs/dbraw/zinc/38/99/85/817389985.db2.gz FBDPDFOSWDIKCO-UHFFFAOYSA-N -1 3 262.305 3.374 20 0 CGADHM C[C@@H](Oc1[n-]c(=O)nc2nc(Cl)ccc21)C1CCCC1 ZINC001226557307 817396483 /nfs/dbraw/zinc/39/64/83/817396483.db2.gz ZWHNWLSXDKLMPJ-MRVPVSSYSA-N -1 3 293.754 3.341 20 0 CGADHM O=c1ccc2ccc([O-])c(OC3CCCCC3)c2o1 ZINC001226594778 817407785 /nfs/dbraw/zinc/40/77/85/817407785.db2.gz BAMDNMZNUKDQHZ-UHFFFAOYSA-N -1 3 260.289 3.210 20 0 CGADHM O=c1ccc2ccc([O-])c(O[C@@H]3CCCC[C@@H]3F)c2o1 ZINC001226598286 817409218 /nfs/dbraw/zinc/40/92/18/817409218.db2.gz CPSMSQGHSLDQIT-CMPLNLGQSA-N -1 3 278.279 3.158 20 0 CGADHM Cc1ccc([C@H](C)Oc2c([O-])ccc3ccc(=O)oc32)cn1 ZINC001226597872 817409273 /nfs/dbraw/zinc/40/92/73/817409273.db2.gz WXKJSOIYWICHBW-NSHDSACASA-N -1 3 297.310 3.342 20 0 CGADHM S=c1nccc(O[C@@H]2CCc3cc(Cl)ccc32)[n-]1 ZINC001226939395 817509981 /nfs/dbraw/zinc/50/99/81/817509981.db2.gz HWTSPSJTFPRSJZ-LLVKDONJSA-N -1 3 278.764 3.485 20 0 CGADHM CC[C@@H](Oc1cnc[n-]c1=O)c1cccc(F)c1C ZINC001227051585 817544758 /nfs/dbraw/zinc/54/47/58/817544758.db2.gz MDWXWVAHHWJAOG-GFCCVEGCSA-N -1 3 262.284 3.160 20 0 CGADHM CC(C)(C)[C@H]1CC[C@H](Oc2ccc(=O)[n-]n2)CC1 ZINC001227093246 817554837 /nfs/dbraw/zinc/55/48/37/817554837.db2.gz JIKNCLYTRJXFCY-XYPYZODXSA-N -1 3 250.342 3.166 20 0 CGADHM CC[C@@H](Oc1ccc(=O)[n-]n1)c1cccc(F)c1C ZINC001227093548 817555816 /nfs/dbraw/zinc/55/58/16/817555816.db2.gz NWZOAPBLAPAYJF-GFCCVEGCSA-N -1 3 262.284 3.160 20 0 CGADHM CCCc1cc(O[C@@H](C)c2ncccc2F)[n-]c(=S)n1 ZINC001227422552 817646035 /nfs/dbraw/zinc/64/60/35/817646035.db2.gz QDTOGQVXQWWSRT-VIFPVBQESA-N -1 3 293.367 3.392 20 0 CGADHM Cc1cc(C(=O)[O-])cc(-c2cnccc2/C=C/N(C)C)c1 ZINC001243180648 823276324 /nfs/dbraw/zinc/27/63/24/823276324.db2.gz DLYYRQCGWVRPHM-FNORWQNLSA-N -1 3 282.343 3.288 20 0 CGADHM C[C@@H](Oc1cc(=O)cc(C(F)(F)F)[n-]1)C1CCC1 ZINC001227585259 817676005 /nfs/dbraw/zinc/67/60/05/817676005.db2.gz AXVYRXCJEQEMGC-SSDOTTSWSA-N -1 3 261.243 3.373 20 0 CGADHM O=c1cc(O[C@H]2C[C@H]3C=C[C@@H]2C3)[n-]c(C(F)(F)F)c1 ZINC001227585190 817676530 /nfs/dbraw/zinc/67/65/30/817676530.db2.gz ABSKVWISTXVZJS-XKSSXDPKSA-N -1 3 271.238 3.149 20 0 CGADHM CCC[C@@H](Oc1nc(C(=O)OC)ccc1[O-])C(C)(C)C ZINC001227819519 817726975 /nfs/dbraw/zinc/72/69/75/817726975.db2.gz CGVQHYQIXFGFDZ-GFCCVEGCSA-N -1 3 281.352 3.167 20 0 CGADHM Cc1ccc([C@@H](C)Oc2ncc(Cl)cc2[O-])cn1 ZINC001227981416 817771233 /nfs/dbraw/zinc/77/12/33/817771233.db2.gz VQTQKLRECFFTLF-SECBINFHSA-N -1 3 264.712 3.284 20 0 CGADHM O=c1nc2cccnc2c(O[C@H]2CCCc3ccccc32)[n-]1 ZINC001228006676 817781985 /nfs/dbraw/zinc/78/19/85/817781985.db2.gz FCRDYWQBBAICQZ-AWEZNQCLSA-N -1 3 293.326 3.187 20 0 CGADHM C[C@@H](Oc1[n-]c(=O)nc2cccnc21)c1ccc(F)cc1 ZINC001228008383 817783282 /nfs/dbraw/zinc/78/32/82/817783282.db2.gz NCNGILUIHDMJPF-SECBINFHSA-N -1 3 285.278 3.010 20 0 CGADHM O=C(c1ccccc1)c1ccc([O-])c(OC2CCOCC2)c1 ZINC001228153013 817826694 /nfs/dbraw/zinc/82/66/94/817826694.db2.gz XPROJIGXANHNIE-UHFFFAOYSA-N -1 3 298.338 3.181 20 0 CGADHM Cc1cc(=O)oc2c1ccc([O-])c2O[C@H]1CCCC[C@H]1F ZINC001228621556 817956547 /nfs/dbraw/zinc/95/65/47/817956547.db2.gz CEJWBTWLMSXDSG-YPMHNXCESA-N -1 3 292.306 3.467 20 0 CGADHM CC[C@H]1CCCC[C@H]1Oc1nnc(-c2cccnc2)[n-]1 ZINC001228695035 817974805 /nfs/dbraw/zinc/97/48/05/817974805.db2.gz ISAVQSNKXAVRRK-WCQYABFASA-N -1 3 272.352 3.214 20 0 CGADHM CC[C@H]1CCCC[C@H]1Oc1nc(-c2cccnc2)n[n-]1 ZINC001228695035 817974811 /nfs/dbraw/zinc/97/48/11/817974811.db2.gz ISAVQSNKXAVRRK-WCQYABFASA-N -1 3 272.352 3.214 20 0 CGADHM CC[C@H]1CCCC[C@H]1Oc1n[n-]c(-c2cccnc2)n1 ZINC001228695035 817974817 /nfs/dbraw/zinc/97/48/17/817974817.db2.gz ISAVQSNKXAVRRK-WCQYABFASA-N -1 3 272.352 3.214 20 0 CGADHM CCCCC[C@@H](C)Oc1nnc(-c2cccnc2)[n-]1 ZINC001228693665 817975752 /nfs/dbraw/zinc/97/57/52/817975752.db2.gz BYXACEBTDCGWNH-LLVKDONJSA-N -1 3 260.341 3.214 20 0 CGADHM CCCCC[C@@H](C)Oc1nc(-c2cccnc2)n[n-]1 ZINC001228693665 817975755 /nfs/dbraw/zinc/97/57/55/817975755.db2.gz BYXACEBTDCGWNH-LLVKDONJSA-N -1 3 260.341 3.214 20 0 CGADHM CCCCC[C@@H](C)Oc1n[n-]c(-c2cccnc2)n1 ZINC001228693665 817975759 /nfs/dbraw/zinc/97/57/59/817975759.db2.gz BYXACEBTDCGWNH-LLVKDONJSA-N -1 3 260.341 3.214 20 0 CGADHM COc1ccccc1[C@@H](C)Oc1n[n-]c(-c2ccncc2)n1 ZINC001228696676 817977175 /nfs/dbraw/zinc/97/71/75/817977175.db2.gz BIKCEAWPOCAZFG-LLVKDONJSA-N -1 3 296.330 3.015 20 0 CGADHM C[C@H]1C[C@H](Oc2n[n-]c(-c3ccncc3)n2)C[C@@H](C)C1 ZINC001228698400 817979466 /nfs/dbraw/zinc/97/94/66/817979466.db2.gz XTEHSBOZZAAAMX-PJXYFTJBSA-N -1 3 272.352 3.070 20 0 CGADHM CCC[C@@H](C)[C@H](CC)Oc1nnc(-c2cccnc2)[n-]1 ZINC001228699469 817979886 /nfs/dbraw/zinc/97/98/86/817979886.db2.gz XOPNLJPMJCOLEB-YPMHNXCESA-N -1 3 274.368 3.460 20 0 CGADHM CCC[C@@H](C)[C@H](CC)Oc1nc(-c2cccnc2)n[n-]1 ZINC001228699469 817979891 /nfs/dbraw/zinc/97/98/91/817979891.db2.gz XOPNLJPMJCOLEB-YPMHNXCESA-N -1 3 274.368 3.460 20 0 CGADHM CCC[C@@H](C)[C@H](CC)Oc1n[n-]c(-c2cccnc2)n1 ZINC001228699469 817979900 /nfs/dbraw/zinc/97/99/00/817979900.db2.gz XOPNLJPMJCOLEB-YPMHNXCESA-N -1 3 274.368 3.460 20 0 CGADHM CC[C@@H](C)C[C@@H](CC)Oc1nnc(-c2cccnc2)[n-]1 ZINC001228699097 817980242 /nfs/dbraw/zinc/98/02/42/817980242.db2.gz VLKKABYUNMFKLO-DGCLKSJQSA-N -1 3 274.368 3.460 20 0 CGADHM CC[C@@H](C)C[C@@H](CC)Oc1nc(-c2cccnc2)n[n-]1 ZINC001228699097 817980248 /nfs/dbraw/zinc/98/02/48/817980248.db2.gz VLKKABYUNMFKLO-DGCLKSJQSA-N -1 3 274.368 3.460 20 0 CGADHM CC[C@@H](C)C[C@@H](CC)Oc1n[n-]c(-c2cccnc2)n1 ZINC001228699097 817980253 /nfs/dbraw/zinc/98/02/53/817980253.db2.gz VLKKABYUNMFKLO-DGCLKSJQSA-N -1 3 274.368 3.460 20 0 CGADHM CCC[C@@H](C)[C@@H](CC)Oc1n[n-]c(-c2ccncc2)n1 ZINC001228699902 817980337 /nfs/dbraw/zinc/98/03/37/817980337.db2.gz JYAQIXFPJPXYAW-DGCLKSJQSA-N -1 3 274.368 3.460 20 0 CGADHM CC(C)C[C@H](Oc1cccc(-c2nnn[n-]2)c1)C(C)C ZINC001231117494 818034936 /nfs/dbraw/zinc/03/49/36/818034936.db2.gz CAZXCZKORHVIOV-AWEZNQCLSA-N -1 3 274.368 3.316 20 0 CGADHM CC(C)C[C@H](Oc1cccc(-c2nn[n-]n2)c1)C(C)C ZINC001231117494 818034940 /nfs/dbraw/zinc/03/49/40/818034940.db2.gz CAZXCZKORHVIOV-AWEZNQCLSA-N -1 3 274.368 3.316 20 0 CGADHM Cc1ccc([O-])c(CN(CC(=O)c2ccccc2)C(C)C)n1 ZINC001231674137 818157080 /nfs/dbraw/zinc/15/70/80/818157080.db2.gz BCQFFAIAMPOZAA-UHFFFAOYSA-N -1 3 298.386 3.189 20 0 CGADHM COC[C@@H]1CCCCN1Cc1ccc(Cl)c([O-])c1 ZINC001231733270 818161038 /nfs/dbraw/zinc/16/10/38/818161038.db2.gz PXPCJOXDBBCAQE-LBPRGKRZSA-N -1 3 269.772 3.047 20 0 CGADHM [O-]c1cccc(CN2CC[C@]3(C2)CCCCO3)c1Cl ZINC001232784871 818439244 /nfs/dbraw/zinc/43/92/44/818439244.db2.gz XCCGEPNEMNHEFT-HNNXBMFYSA-N -1 3 281.783 3.191 20 0 CGADHM C[C@H]1C[C@H](C)CN(Cc2ccc(F)c([O-])c2F)C1 ZINC001232936933 818476843 /nfs/dbraw/zinc/47/68/43/818476843.db2.gz IPGQMRQYYOCNRQ-UWVGGRQHSA-N -1 3 255.308 3.148 20 0 CGADHM [O-]c1cc(CN2CC[C@@H](c3cccnc3)C2)cc(F)c1F ZINC001232970201 818488093 /nfs/dbraw/zinc/48/80/93/818488093.db2.gz BODNCGRJGYWEPR-CYBMUJFWSA-N -1 3 290.313 3.055 20 0 CGADHM CN(Cc1ccc(Cl)nc1)Cc1cccc([O-])c1F ZINC001233058439 818514721 /nfs/dbraw/zinc/51/47/21/818514721.db2.gz YFYAPSAJZIPOTG-UHFFFAOYSA-N -1 3 280.730 3.212 20 0 CGADHM O=C1CCN(Cc2c(F)ccc([O-])c2F)[C@@H]2CCCC[C@@H]12 ZINC001233393196 818608256 /nfs/dbraw/zinc/60/82/56/818608256.db2.gz HLDVGMXFVYIUTO-ZWNOBZJWSA-N -1 3 295.329 3.004 20 0 CGADHM C[C@H]1CCN(Cc2c(F)ccc([O-])c2F)[C@@H](C)C1 ZINC001233395536 818608340 /nfs/dbraw/zinc/60/83/40/818608340.db2.gz ARPVGBZHESSJLQ-UWVGGRQHSA-N -1 3 255.308 3.291 20 0 CGADHM C[C@@]1(F)CCCCN(Cc2c(F)ccc([O-])c2F)C1 ZINC001233394002 818608919 /nfs/dbraw/zinc/60/89/19/818608919.db2.gz VVVLUNPOOWSMNM-CQSZACIVSA-N -1 3 273.298 3.385 20 0 CGADHM CCN(Cc1cccnc1)Cc1c(F)ccc([O-])c1F ZINC001233395620 818611050 /nfs/dbraw/zinc/61/10/50/818611050.db2.gz FWEYDWSYRMZUFA-UHFFFAOYSA-N -1 3 278.302 3.088 20 0 CGADHM COc1ccc(CN(C)Cc2cscn2)c(Cl)c1[O-] ZINC001233400926 818611826 /nfs/dbraw/zinc/61/18/26/818611826.db2.gz FFOUSEOECOMZED-UHFFFAOYSA-N -1 3 298.795 3.143 20 0 CGADHM CCOC(=O)[C@H]1CC[C@@H](Oc2cc(Cl)c([O-])cc2C)C1 ZINC001233592323 818652060 /nfs/dbraw/zinc/65/20/60/818652060.db2.gz LHDKCENOHKIBMI-WDEREUQCSA-N -1 3 298.766 3.465 20 0 CGADHM CCOC(=O)[C@@H](Oc1cc(Cl)c([O-])cc1C)C1CC1 ZINC001233595619 818654220 /nfs/dbraw/zinc/65/42/20/818654220.db2.gz SAOTWAHDGDWOQP-ZDUSSCGKSA-N -1 3 284.739 3.075 20 0 CGADHM C[C@@H]1CC[C@@H](Oc2ccc3occ([O-])c3c2)C[C@H]1C ZINC001233677694 818677687 /nfs/dbraw/zinc/67/76/87/818677687.db2.gz NBBAYTGRZNMMHA-IJLUTSLNSA-N -1 3 260.333 3.465 20 0 CGADHM CC1(C)CC(Oc2ccc3occ([O-])c3c2)CC(C)(C)O1 ZINC001233681295 818678528 /nfs/dbraw/zinc/67/85/28/818678528.db2.gz SYCXTERGQAWTKV-UHFFFAOYSA-N -1 3 290.359 3.377 20 0 CGADHM C[C@@H](COc1ccccc1)Oc1cccc([O-])c1F ZINC001233871885 818722035 /nfs/dbraw/zinc/72/20/35/818722035.db2.gz RGCVPLWHDYJBOM-NSHDSACASA-N -1 3 262.280 3.378 20 0 CGADHM CCOC(=O)[C@@H]1CCCC[C@H]1Oc1cccc([O-])c1F ZINC001233870721 818722467 /nfs/dbraw/zinc/72/24/67/818722467.db2.gz HVUAUGZNABRKRR-ZYHUDNBSSA-N -1 3 282.311 3.032 20 0 CGADHM CCCC1CCC(Oc2cccc([O-])c2C(N)=O)CC1 ZINC001234147855 818792058 /nfs/dbraw/zinc/79/20/58/818792058.db2.gz ZAAPLTFYWYYMGW-UHFFFAOYSA-N -1 3 277.364 3.229 20 0 CGADHM C[C@H](Oc1nc2c(cccc2[O-])[nH]1)c1ccccc1 ZINC001234450364 818859063 /nfs/dbraw/zinc/85/90/63/818859063.db2.gz XPNQQTYAMTZLMP-JTQLQIEISA-N -1 3 254.289 3.409 20 0 CGADHM CC1(C)OC[C@H](CCOc2c([O-])cc(Cl)cc2F)O1 ZINC001234448917 818859404 /nfs/dbraw/zinc/85/94/04/818859404.db2.gz YNYWEIKNUQWBEU-VIFPVBQESA-N -1 3 290.718 3.105 20 0 CGADHM CC(C)Oc1cncc(COc2nc3ccsc3[n-]2)c1 ZINC001234847818 818932083 /nfs/dbraw/zinc/93/20/83/818932083.db2.gz LTFYJUNCNSERCZ-UHFFFAOYSA-N -1 3 289.360 3.386 20 0 CGADHM CC(C)Oc1cncc(COc2nc3sccc3[n-]2)c1 ZINC001234847818 818932087 /nfs/dbraw/zinc/93/20/87/818932087.db2.gz LTFYJUNCNSERCZ-UHFFFAOYSA-N -1 3 289.360 3.386 20 0 CGADHM CCOC(=O)[C@@H]1CCC[C@H](Oc2nc3ccsc3[n-]2)C1 ZINC001234848282 818932490 /nfs/dbraw/zinc/93/24/90/818932490.db2.gz ORUYSZQSCDJRPY-ZJUUUORDSA-N -1 3 294.376 3.125 20 0 CGADHM CCOC(=O)[C@@H]1CCC[C@H](Oc2nc3sccc3[n-]2)C1 ZINC001234848282 818932496 /nfs/dbraw/zinc/93/24/96/818932496.db2.gz ORUYSZQSCDJRPY-ZJUUUORDSA-N -1 3 294.376 3.125 20 0 CGADHM c1cc2nc(OC[C@H]3CC[C@]4(CCCCO4)O3)[n-]c2s1 ZINC001234847105 818932564 /nfs/dbraw/zinc/93/25/64/818932564.db2.gz GMIQXTFGZCPEDF-YGRLFVJLSA-N -1 3 294.376 3.079 20 0 CGADHM c1cc2[n-]c(OC[C@H]3CC[C@]4(CCCCO4)O3)nc2s1 ZINC001234847105 818932569 /nfs/dbraw/zinc/93/25/69/818932569.db2.gz GMIQXTFGZCPEDF-YGRLFVJLSA-N -1 3 294.376 3.079 20 0 CGADHM CCCCOC[C@@H](C)Oc1nc2ccsc2[n-]1 ZINC001234848632 818933714 /nfs/dbraw/zinc/93/37/14/818933714.db2.gz RPZOFAJUWRGPOF-SECBINFHSA-N -1 3 254.355 3.208 20 0 CGADHM CCCCOC[C@@H](C)Oc1nc2sccc2[n-]1 ZINC001234848632 818933717 /nfs/dbraw/zinc/93/37/17/818933717.db2.gz RPZOFAJUWRGPOF-SECBINFHSA-N -1 3 254.355 3.208 20 0 CGADHM CC[C@@H](Oc1nc(=O)[n-]c2c1SCCC2)C(C)C ZINC001234923216 818952322 /nfs/dbraw/zinc/95/23/22/818952322.db2.gz QSRZIURJISNWRR-SNVBAGLBSA-N -1 3 268.382 3.034 20 0 CGADHM O=C([O-])/C=C/c1ccc(-c2cc(N3CCCC3)ccn2)cc1 ZINC001235149948 819016970 /nfs/dbraw/zinc/01/69/70/819016970.db2.gz SMNHRBZPFXQOHI-VMPITWQZSA-N -1 3 294.354 3.447 20 0 CGADHM COC(=O)c1c(C)ccnc1-c1cc([O-])cc(Cl)c1 ZINC001235899183 819208775 /nfs/dbraw/zinc/20/87/75/819208775.db2.gz FVMPALMUOFDUCF-UHFFFAOYSA-N -1 3 277.707 3.203 20 0 CGADHM COC(=O)c1nc(-c2cc([O-])cc(Cl)c2)ccc1C ZINC001235899162 819209014 /nfs/dbraw/zinc/20/90/14/819209014.db2.gz FFNXRDOAVMABQI-UHFFFAOYSA-N -1 3 277.707 3.203 20 0 CGADHM [O-]c1cc(Cl)cc(-c2cncc(OC(F)F)n2)c1 ZINC001235899621 819209720 /nfs/dbraw/zinc/20/97/20/819209720.db2.gz IWUJYTGTTZUOSK-UHFFFAOYSA-N -1 3 272.638 3.104 20 0 CGADHM CCOc1cc(C)ccc1-c1cc(-c2nnn[n-]2)ccc1F ZINC001243408114 823395582 /nfs/dbraw/zinc/39/55/82/823395582.db2.gz WXWIMDGSWQTQAA-UHFFFAOYSA-N -1 3 298.321 3.380 20 0 CGADHM CCOc1cc(C)ccc1-c1cc(-c2nn[n-]n2)ccc1F ZINC001243408114 823395589 /nfs/dbraw/zinc/39/55/89/823395589.db2.gz WXWIMDGSWQTQAA-UHFFFAOYSA-N -1 3 298.321 3.380 20 0 CGADHM CN(Cc1ccc(-c2ccc(C(=O)[O-])cc2)nc1)C1CC1 ZINC001236056744 819291520 /nfs/dbraw/zinc/29/15/20/819291520.db2.gz LISCQFNFBSFDMY-UHFFFAOYSA-N -1 3 282.343 3.041 20 0 CGADHM Cc1ccc(-c2cncc(-c3nnn[n-]3)c2)c(OC(C)C)c1 ZINC001243430377 823403565 /nfs/dbraw/zinc/40/35/65/823403565.db2.gz ZANKMULYPMQCJQ-UHFFFAOYSA-N -1 3 295.346 3.024 20 0 CGADHM Cc1ccc(-c2cncc(-c3nn[n-]n3)c2)c(OC(C)C)c1 ZINC001243430377 823403566 /nfs/dbraw/zinc/40/35/66/823403566.db2.gz ZANKMULYPMQCJQ-UHFFFAOYSA-N -1 3 295.346 3.024 20 0 CGADHM [O-]c1cc(CN2CCc3cc(F)ccc3C2)ccc1F ZINC001236706961 819577440 /nfs/dbraw/zinc/57/74/40/819577440.db2.gz BJAYEVGFIKAGSM-UHFFFAOYSA-N -1 3 275.298 3.229 20 0 CGADHM CN(Cc1ccc(F)c([O-])c1)Cc1ccc(F)cc1F ZINC001236711317 819579304 /nfs/dbraw/zinc/57/93/04/819579304.db2.gz SEWJFJQUHRKIRN-UHFFFAOYSA-N -1 3 281.277 3.442 20 0 CGADHM [O-]c1c(F)cc(F)cc1-c1ccc2c(c1)[C@@H](O)CCO2 ZINC001243506097 823424121 /nfs/dbraw/zinc/42/41/21/823424121.db2.gz WZBZODQEQHFNCS-ZDUSSCGKSA-N -1 3 278.254 3.153 20 0 CGADHM [O-]c1c(F)cc(CN2CCNC3=CCCC[C@@H]32)cc1Cl ZINC001237227824 819706080 /nfs/dbraw/zinc/70/60/80/819706080.db2.gz DOBWXIWTMIBTNK-AWEZNQCLSA-N -1 3 296.773 3.026 20 0 CGADHM CN(Cc1nc2ccccc2o1)Cc1cc([O-])cc(F)c1 ZINC001237280017 819715444 /nfs/dbraw/zinc/71/54/44/819715444.db2.gz BRFJGZNSUWAFBO-UHFFFAOYSA-N -1 3 286.306 3.305 20 0 CGADHM [O-]c1cc(F)cc(CN2CCCC(F)(F)[C@H](F)C2)c1 ZINC001237278491 819716024 /nfs/dbraw/zinc/71/60/24/819716024.db2.gz YQTNSVFRYZLPOK-GFCCVEGCSA-N -1 3 277.261 3.101 20 0 CGADHM [O-]c1cc(F)cc(CN2CCCC(F)(F)[C@@H](F)C2)c1 ZINC001237278493 819716556 /nfs/dbraw/zinc/71/65/56/819716556.db2.gz YQTNSVFRYZLPOK-LBPRGKRZSA-N -1 3 277.261 3.101 20 0 CGADHM [O-]c1c(CN2CC3CCC2CC3)cc(Cl)nc1Cl ZINC001237536340 819773789 /nfs/dbraw/zinc/77/37/89/819773789.db2.gz BLBFCZUAURGUAW-UHFFFAOYSA-N -1 3 287.190 3.468 20 0 CGADHM [O-]c1cccc(-c2ccc3c(c2)C2(CC3)OCCO2)c1F ZINC001243548760 823440178 /nfs/dbraw/zinc/44/01/78/823440178.db2.gz HUXHEMDEUACAMR-UHFFFAOYSA-N -1 3 286.302 3.344 20 0 CGADHM COC(=O)CCc1cccc(-c2cccc([O-])c2F)c1 ZINC001243548034 823440277 /nfs/dbraw/zinc/44/02/77/823440277.db2.gz XRZMTNZBFBBNBN-UHFFFAOYSA-N -1 3 274.291 3.304 20 0 CGADHM [O-]c1cccc(-c2cccc3c2CCC32OCCO2)c1F ZINC001243548767 823440340 /nfs/dbraw/zinc/44/03/40/823440340.db2.gz IENYDLJTHJVRNT-UHFFFAOYSA-N -1 3 286.302 3.344 20 0 CGADHM CN1Cc2ccc(-c3cccc([O-])c3F)cc2NC1=O ZINC001243545447 823437979 /nfs/dbraw/zinc/43/79/79/823437979.db2.gz LOFLIBYHPCSSKD-UHFFFAOYSA-N -1 3 272.279 3.176 20 0 CGADHM COC(=O)c1c(F)cc(C)cc1-c1cccc([O-])c1F ZINC001243549001 823441049 /nfs/dbraw/zinc/44/10/49/823441049.db2.gz OGPUXHFJDDPARS-UHFFFAOYSA-N -1 3 278.254 3.432 20 0 CGADHM C[C@@H]1CCCN1Cc1c(Br)ccc([O-])c1F ZINC001238307929 819972839 /nfs/dbraw/zinc/97/28/39/819972839.db2.gz ZDWGRHRYQFUFRJ-MRVPVSSYSA-N -1 3 288.160 3.278 20 0 CGADHM c1ccc(-c2ccc(C3CC3)cc2)c(-c2nnn[n-]2)c1 ZINC001238833253 820129501 /nfs/dbraw/zinc/12/95/01/820129501.db2.gz FIWZPRRCRIGPEY-UHFFFAOYSA-N -1 3 262.316 3.411 20 0 CGADHM c1ccc(-c2ccc(C3CC3)cc2)c(-c2nn[n-]n2)c1 ZINC001238833253 820129506 /nfs/dbraw/zinc/12/95/06/820129506.db2.gz FIWZPRRCRIGPEY-UHFFFAOYSA-N -1 3 262.316 3.411 20 0 CGADHM COc1ncnc(C)c1-c1ccc(C(F)(F)F)cc1[O-] ZINC001243610044 823466388 /nfs/dbraw/zinc/46/63/88/823466388.db2.gz VRUDXIJIGYEAAN-UHFFFAOYSA-N -1 3 284.237 3.185 20 0 CGADHM COc1cc(-c2ccc(C(F)(F)F)cc2[O-])c(OC)cn1 ZINC001243611217 823467282 /nfs/dbraw/zinc/46/72/82/823467282.db2.gz FFWMERJDEOCKQT-UHFFFAOYSA-N -1 3 299.248 3.490 20 0 CGADHM Cn1cc(-c2ccc(-c3nnn[n-]3)c(F)c2)c2ccccc21 ZINC001239538631 820392357 /nfs/dbraw/zinc/39/23/57/820392357.db2.gz RIZHVUDGARDFBY-UHFFFAOYSA-N -1 3 293.305 3.165 20 0 CGADHM Cn1cc(-c2ccc(-c3nn[n-]n3)c(F)c2)c2ccccc21 ZINC001239538631 820392366 /nfs/dbraw/zinc/39/23/66/820392366.db2.gz RIZHVUDGARDFBY-UHFFFAOYSA-N -1 3 293.305 3.165 20 0 CGADHM Cc1cccc(-c2ccc(Cc3nnn[n-]3)cc2)c1C ZINC001239716285 820543407 /nfs/dbraw/zinc/54/34/07/820543407.db2.gz JUYTYXRUOWVSRE-UHFFFAOYSA-N -1 3 264.332 3.074 20 0 CGADHM Cc1cccc(-c2ccc(Cc3nn[n-]n3)cc2)c1C ZINC001239716285 820543412 /nfs/dbraw/zinc/54/34/12/820543412.db2.gz JUYTYXRUOWVSRE-UHFFFAOYSA-N -1 3 264.332 3.074 20 0 CGADHM Cc1ccc(-c2ccccc2-c2nnn[n-]2)c(C)c1 ZINC001239810559 820626470 /nfs/dbraw/zinc/62/64/70/820626470.db2.gz XDITWQBPZPPZSO-UHFFFAOYSA-N -1 3 250.305 3.151 20 0 CGADHM Cc1ccc(-c2ccccc2-c2nn[n-]n2)c(C)c1 ZINC001239810559 820626473 /nfs/dbraw/zinc/62/64/73/820626473.db2.gz XDITWQBPZPPZSO-UHFFFAOYSA-N -1 3 250.305 3.151 20 0 CGADHM CC(C)Oc1ccc(-c2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC001239959736 820739200 /nfs/dbraw/zinc/73/92/00/820739200.db2.gz MEPMWLROUDANTH-UHFFFAOYSA-N -1 3 298.321 3.460 20 0 CGADHM CC(C)Oc1ccc(-c2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC001239959736 820739206 /nfs/dbraw/zinc/73/92/06/820739206.db2.gz MEPMWLROUDANTH-UHFFFAOYSA-N -1 3 298.321 3.460 20 0 CGADHM FC(F)(F)c1cc(-c2cnc3[nH]ccc3c2)nc(=S)[n-]1 ZINC001240390693 821014257 /nfs/dbraw/zinc/01/42/57/821014257.db2.gz AFIQBOXMKSQNGL-UHFFFAOYSA-N -1 3 296.277 3.279 20 0 CGADHM CNC(=O)c1ccc(-c2ccc3c(c2)[N-]C(=S)C3)cc1 ZINC001240572013 821158747 /nfs/dbraw/zinc/15/87/47/821158747.db2.gz PPKGDGVYIHVBOI-UHFFFAOYSA-N -1 3 282.368 3.009 20 0 CGADHM COc1cc(-c2ccc3c(c2)[N-]C(=S)C3)cnc1OC ZINC001240623056 821198464 /nfs/dbraw/zinc/19/84/64/821198464.db2.gz AIVMFDDJRFDMHC-UHFFFAOYSA-N -1 3 286.356 3.061 20 0 CGADHM [O-]c1ccc(-c2cc(OC(F)F)ccn2)cc1F ZINC001240783435 821323080 /nfs/dbraw/zinc/32/30/80/821323080.db2.gz QMDLDSCTRGXPRR-UHFFFAOYSA-N -1 3 255.195 3.195 20 0 CGADHM COC(OC)c1ccccc1-c1ccc([O-])c(F)c1 ZINC001240785920 821324802 /nfs/dbraw/zinc/32/48/02/821324802.db2.gz UJYQSSGYLHCCFE-UHFFFAOYSA-N -1 3 262.280 3.490 20 0 CGADHM [O-]c1ccc(-c2ncnc3c2CCCCC3)cc1F ZINC001240785695 821325057 /nfs/dbraw/zinc/32/50/57/821325057.db2.gz BNWGCZIWWBFBKL-UHFFFAOYSA-N -1 3 258.296 3.257 20 0 CGADHM COC(=O)c1cc(F)ccc1-c1ccc([O-])c(F)c1 ZINC001240785949 821325428 /nfs/dbraw/zinc/32/54/28/821325428.db2.gz WGXCHORWYILTPG-UHFFFAOYSA-N -1 3 264.227 3.124 20 0 CGADHM COC(=O)c1c(F)cc(-c2ccc([O-])c(F)c2)cc1F ZINC001240785607 821325789 /nfs/dbraw/zinc/32/57/89/821325789.db2.gz IXJNOBMDDAJIPI-UHFFFAOYSA-N -1 3 282.217 3.263 20 0 CGADHM [O-]c1ccc(-c2nc(C3CC3)nc3c2CCC3)cc1F ZINC001240786625 821327009 /nfs/dbraw/zinc/32/70/09/821327009.db2.gz XGRFSOSJXUDCCF-UHFFFAOYSA-N -1 3 270.307 3.354 20 0 CGADHM CCOC(=O)c1cc(-c2ccc([O-])c(F)c2)cnc1C ZINC001240787239 821329536 /nfs/dbraw/zinc/32/95/36/821329536.db2.gz SNXAJDMTGJJRPX-UHFFFAOYSA-N -1 3 275.279 3.078 20 0 CGADHM [O-]c1ccc(-c2cncc(-c3ncco3)c2)cc1F ZINC001240789237 821332592 /nfs/dbraw/zinc/33/25/92/821332592.db2.gz VTWYJHNPVMQPJT-UHFFFAOYSA-N -1 3 256.236 3.248 20 0 CGADHM Cc1cc(NC(=O)c2cccnc2-c2ccccc2[O-])no1 ZINC001241007443 821484239 /nfs/dbraw/zinc/48/42/39/821484239.db2.gz BBKHTWQVFGSWQD-UHFFFAOYSA-N -1 3 295.298 3.003 20 0 CGADHM Nc1cc(C(F)(F)F)cnc1-c1ccccc1[O-] ZINC001241008463 821485408 /nfs/dbraw/zinc/48/54/08/821485408.db2.gz QPMYZCYCOFSBPL-UHFFFAOYSA-N -1 3 254.211 3.055 20 0 CGADHM CC(C)c1cc(-c2ccccc2[O-])nc(N(C)C)n1 ZINC001241009755 821487174 /nfs/dbraw/zinc/48/71/74/821487174.db2.gz VXZXGQFJFMUMGU-UHFFFAOYSA-N -1 3 257.337 3.039 20 0 CGADHM Cc1nc2ncc(-c3ccc(C)cc3[O-])nc2s1 ZINC001241030824 821506342 /nfs/dbraw/zinc/50/63/42/821506342.db2.gz VJPUKUNCOGCHIF-UHFFFAOYSA-N -1 3 257.318 3.076 20 0 CGADHM CCCCc1ccc(-c2cncc(-c3nnn[n-]3)c2)cc1 ZINC001241052586 821525826 /nfs/dbraw/zinc/52/58/26/821525826.db2.gz DFZIQFDIQMTRDL-UHFFFAOYSA-N -1 3 279.347 3.271 20 0 CGADHM CCCCc1ccc(-c2cncc(-c3nn[n-]n3)c2)cc1 ZINC001241052586 821525829 /nfs/dbraw/zinc/52/58/29/821525829.db2.gz DFZIQFDIQMTRDL-UHFFFAOYSA-N -1 3 279.347 3.271 20 0 CGADHM CCOc1cccc(-c2cc(-c3nnn[n-]3)ccc2F)c1 ZINC001241117124 821571273 /nfs/dbraw/zinc/57/12/73/821571273.db2.gz XTJRJYUQUGHQQF-UHFFFAOYSA-N -1 3 284.294 3.072 20 0 CGADHM CCOc1cccc(-c2cc(-c3nn[n-]n3)ccc2F)c1 ZINC001241117124 821571277 /nfs/dbraw/zinc/57/12/77/821571277.db2.gz XTJRJYUQUGHQQF-UHFFFAOYSA-N -1 3 284.294 3.072 20 0 CGADHM CCOC(=O)c1cc(C)nc(-c2cc([O-])cc(F)c2)c1 ZINC001241256317 821675973 /nfs/dbraw/zinc/67/59/73/821675973.db2.gz QCEHBJPBFPWBQG-UHFFFAOYSA-N -1 3 275.279 3.078 20 0 CGADHM C[C@@H]1CCCN(c2cc(-c3cc([O-])cc(F)c3)ncn2)C1 ZINC001241261162 821680389 /nfs/dbraw/zinc/68/03/89/821680389.db2.gz FWJSBUSJFGKRAH-LLVKDONJSA-N -1 3 287.338 3.225 20 0 CGADHM [O-]c1cc(F)cc(-c2cc(F)c3nccnc3c2)c1 ZINC001241271556 821690340 /nfs/dbraw/zinc/69/03/40/821690340.db2.gz QKNTUQJNLVRCCM-UHFFFAOYSA-N -1 3 258.227 3.281 20 0 CGADHM COC(=O)c1cc2cccc(-c3cc([O-])cc(F)c3)c2[nH]1 ZINC001241272533 821691166 /nfs/dbraw/zinc/69/11/66/821691166.db2.gz RWLRALYFYRCTEN-UHFFFAOYSA-N -1 3 285.274 3.466 20 0 CGADHM [O-]c1cc(F)cc(-c2ccc(OCC3CC3)nc2)c1 ZINC001241276704 821695321 /nfs/dbraw/zinc/69/53/21/821695321.db2.gz BXGYUQBUOSNEBD-UHFFFAOYSA-N -1 3 259.280 3.382 20 0 CGADHM O=C1c2c(cccc2-c2cc([O-])cc(F)c2)CN1C1CC1 ZINC001241280271 821698292 /nfs/dbraw/zinc/69/82/92/821698292.db2.gz HKMLNMNSPLCSTH-UHFFFAOYSA-N -1 3 283.302 3.317 20 0 CGADHM COC(=O)c1c(F)cc(C)cc1-c1cc([O-])cc(F)c1 ZINC001241281511 821701083 /nfs/dbraw/zinc/70/10/83/821701083.db2.gz DFDLICYPLUSGSW-UHFFFAOYSA-N -1 3 278.254 3.432 20 0 CGADHM COc1nc(OC)c(-c2cc([O-])cc(F)c2)cc1SC ZINC001241283559 821703076 /nfs/dbraw/zinc/70/30/76/821703076.db2.gz VGJLPFPJLMUYMN-UHFFFAOYSA-N -1 3 295.335 3.332 20 0 CGADHM COC(=O)c1ccc(-c2c(F)ccc([O-])c2F)c(F)c1 ZINC001241291555 821708122 /nfs/dbraw/zinc/70/81/22/821708122.db2.gz PWHIOOLRWFPOMZ-UHFFFAOYSA-N -1 3 282.217 3.263 20 0 CGADHM COc1cc2nc[nH]c2cc1-c1c(F)ccc([O-])c1F ZINC001241292779 821710430 /nfs/dbraw/zinc/71/04/30/821710430.db2.gz GORKFPUGYQVAIH-UHFFFAOYSA-N -1 3 276.242 3.222 20 0 CGADHM COc1cc(-c2c(F)ccc([O-])c2F)ccc1F ZINC001241293448 821711176 /nfs/dbraw/zinc/71/11/76/821711176.db2.gz XVUTUPNOUPVVOJ-UHFFFAOYSA-N -1 3 254.207 3.485 20 0 CGADHM [O-]c1ccc(F)c(-c2ccc(C3OCCO3)cc2)c1F ZINC001241293109 821711235 /nfs/dbraw/zinc/71/12/35/821711235.db2.gz PYKVIFMCGXNQTG-UHFFFAOYSA-N -1 3 278.254 3.383 20 0 CGADHM Cn1cnc2cc(-c3c(F)ccc([O-])c3F)ccc21 ZINC001241293408 821711461 /nfs/dbraw/zinc/71/14/61/821711461.db2.gz VWDIXKBLXFWSQP-UHFFFAOYSA-N -1 3 260.243 3.224 20 0 CGADHM COC(=O)CCc1cccc(-c2c(F)ccc([O-])c2F)c1 ZINC001241293801 821712937 /nfs/dbraw/zinc/71/29/37/821712937.db2.gz OWBZZUPIVDQUHV-UHFFFAOYSA-N -1 3 292.281 3.443 20 0 CGADHM Cc1cc2ccccc2nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC001241441617 821836464 /nfs/dbraw/zinc/83/64/64/821836464.db2.gz PNYPHZBBJOMXFT-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM Cc1cc2ccccc2nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC001241441617 821836476 /nfs/dbraw/zinc/83/64/76/821836476.db2.gz PNYPHZBBJOMXFT-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM CC1=Cc2cccc(-c3ccc(-c4nnn[n-]4)cc3)c2C1 ZINC001241443654 821838401 /nfs/dbraw/zinc/83/84/01/821838401.db2.gz JMMDZKIRNCAHQE-UHFFFAOYSA-N -1 3 274.327 3.493 20 0 CGADHM CC1=Cc2cccc(-c3ccc(-c4nn[n-]n4)cc3)c2C1 ZINC001241443654 821838403 /nfs/dbraw/zinc/83/84/03/821838403.db2.gz JMMDZKIRNCAHQE-UHFFFAOYSA-N -1 3 274.327 3.493 20 0 CGADHM Fc1ccc2cc(-c3ccc(-c4nnn[n-]4)cc3)ncc2c1 ZINC001241443760 821838773 /nfs/dbraw/zinc/83/87/73/821838773.db2.gz GFEABPPFXSHJSF-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Fc1ccc2cc(-c3ccc(-c4nn[n-]n4)cc3)ncc2c1 ZINC001241443760 821838781 /nfs/dbraw/zinc/83/87/81/821838781.db2.gz GFEABPPFXSHJSF-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM c1ccn(-c2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc2)c1 ZINC001241444258 821838839 /nfs/dbraw/zinc/83/88/39/821838839.db2.gz PCPDOVBMZLSDET-UHFFFAOYSA-N -1 3 287.326 3.324 20 0 CGADHM c1ccn(-c2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc2)c1 ZINC001241444258 821838847 /nfs/dbraw/zinc/83/88/47/821838847.db2.gz PCPDOVBMZLSDET-UHFFFAOYSA-N -1 3 287.326 3.324 20 0 CGADHM c1cc(OC2CCC2)cc(-c2ccc(-c3nnn[n-]3)cc2)c1 ZINC001241445715 821839894 /nfs/dbraw/zinc/83/98/94/821839894.db2.gz VEPUNNYKPVRXHG-UHFFFAOYSA-N -1 3 292.342 3.465 20 0 CGADHM c1cc(OC2CCC2)cc(-c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001241445715 821839901 /nfs/dbraw/zinc/83/99/01/821839901.db2.gz VEPUNNYKPVRXHG-UHFFFAOYSA-N -1 3 292.342 3.465 20 0 CGADHM Cc1cc2cc[nH]c2cc1-c1ccc(-c2nnn[n-]2)cc1 ZINC001241445016 821840177 /nfs/dbraw/zinc/84/01/77/821840177.db2.gz IKEYLTQMABAFRU-UHFFFAOYSA-N -1 3 275.315 3.323 20 0 CGADHM Cc1cc2cc[nH]c2cc1-c1ccc(-c2nn[n-]n2)cc1 ZINC001241445016 821840178 /nfs/dbraw/zinc/84/01/78/821840178.db2.gz IKEYLTQMABAFRU-UHFFFAOYSA-N -1 3 275.315 3.323 20 0 CGADHM CN1CCC=C(c2ccc3[n-]c(=S)sc3c2)C1 ZINC001241571433 821959351 /nfs/dbraw/zinc/95/93/51/821959351.db2.gz ZCLQZPXRRHVXJB-UHFFFAOYSA-N -1 3 262.403 3.304 20 0 CGADHM c1cc2ccc(-c3ccc(Cc4nnn[n-]4)cc3)cc2cn1 ZINC001241677708 822061034 /nfs/dbraw/zinc/06/10/34/822061034.db2.gz PKTLLQQOUWAWMG-UHFFFAOYSA-N -1 3 287.326 3.006 20 0 CGADHM c1cc2ccc(-c3ccc(Cc4nn[n-]n4)cc3)cc2cn1 ZINC001241677708 822061043 /nfs/dbraw/zinc/06/10/43/822061043.db2.gz PKTLLQQOUWAWMG-UHFFFAOYSA-N -1 3 287.326 3.006 20 0 CGADHM Nc1ccc(-c2cc(C(F)(F)F)ccc2[O-])nc1 ZINC001242126115 822886425 /nfs/dbraw/zinc/88/64/25/822886425.db2.gz FVKPZCKEQBQNPD-UHFFFAOYSA-N -1 3 254.211 3.055 20 0 CGADHM Nc1ccc(-c2ccc([O-])c(C(F)(F)F)c2)nc1 ZINC001242147623 822893976 /nfs/dbraw/zinc/89/39/76/822893976.db2.gz BUSIXMATXNKIFP-UHFFFAOYSA-N -1 3 254.211 3.055 20 0 CGADHM COc1cc(-c2ccc([O-])c(C(F)(F)F)c2)cnc1OC ZINC001242158460 822898993 /nfs/dbraw/zinc/89/89/93/822898993.db2.gz ZPRVDSFSHSAGMS-UHFFFAOYSA-N -1 3 299.248 3.490 20 0 CGADHM Cn1nnc2cc(-c3ccc([O-])c(C(F)(F)F)c3)ccc21 ZINC001242162754 822900352 /nfs/dbraw/zinc/90/03/52/822900352.db2.gz RBESURHHZRHMGB-UHFFFAOYSA-N -1 3 293.248 3.360 20 0 CGADHM Cc1cc(-c2ccc([O-])c(C(F)(F)F)c2)cnc1N ZINC001242163062 822900406 /nfs/dbraw/zinc/90/04/06/822900406.db2.gz WBMZQTXGCDOVRZ-UHFFFAOYSA-N -1 3 268.238 3.364 20 0 CGADHM CCOC(=O)c1ccc(-c2ccc(F)cc2[O-])cc1 ZINC001242217595 822915061 /nfs/dbraw/zinc/91/50/61/822915061.db2.gz FSJOPLRPJSZMFQ-UHFFFAOYSA-N -1 3 260.264 3.375 20 0 CGADHM Nc1cnc2cc(-c3ccc(F)cc3[O-])ccc2c1 ZINC001242219181 822915384 /nfs/dbraw/zinc/91/53/84/822915384.db2.gz LVDUPULPEPLCJY-UHFFFAOYSA-N -1 3 254.264 3.329 20 0 CGADHM [O-]c1cc(F)ccc1-c1ccccc1CN1CCOCC1 ZINC001242218644 822915741 /nfs/dbraw/zinc/91/57/41/822915741.db2.gz JBPZJMHZMQWYQA-UHFFFAOYSA-N -1 3 287.334 3.031 20 0 CGADHM COc1c(F)ccc(-c2ccc(F)cc2[O-])c1OC ZINC001242219801 822916358 /nfs/dbraw/zinc/91/63/58/822916358.db2.gz RKRLEKALCUOMSG-UHFFFAOYSA-N -1 3 266.243 3.355 20 0 CGADHM CC(=O)N1CCCc2cc(-c3ccc(F)cc3[O-])ccc21 ZINC001242221986 822917411 /nfs/dbraw/zinc/91/74/11/822917411.db2.gz ZJWJISPGJMMVDP-UHFFFAOYSA-N -1 3 285.318 3.497 20 0 CGADHM Cc1cc(-c2nnn[n-]2)ccc1-c1ccc2cccnc2c1 ZINC001242249175 822926966 /nfs/dbraw/zinc/92/69/66/822926966.db2.gz IYYQKWWVFRCYRR-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM Cc1cc(-c2nn[n-]n2)ccc1-c1ccc2cccnc2c1 ZINC001242249175 822926968 /nfs/dbraw/zinc/92/69/68/822926968.db2.gz IYYQKWWVFRCYRR-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM Cc1cc2c(cc1-c1cccc(F)c1[O-])CC(=O)N2 ZINC001242352206 822961680 /nfs/dbraw/zinc/96/16/80/822961680.db2.gz ARCXWWSYOZXIQF-UHFFFAOYSA-N -1 3 257.264 3.001 20 0 CGADHM Cc1cc(-c2cccc(F)c2[O-])cc2c1NC(=O)CC2 ZINC001242352061 822961744 /nfs/dbraw/zinc/96/17/44/822961744.db2.gz JYQLSNAIYKJVTC-UHFFFAOYSA-N -1 3 271.291 3.391 20 0 CGADHM Cc1nc2c(cncc2-c2cccc(Cl)c2[O-])[nH]1 ZINC001242366496 822968860 /nfs/dbraw/zinc/96/88/60/822968860.db2.gz YNZDKVXGZPRBGC-UHFFFAOYSA-N -1 3 259.696 3.292 20 0 CGADHM Cc1nc2cncc(-c3cccc(Cl)c3[O-])c2[nH]1 ZINC001242366496 822968865 /nfs/dbraw/zinc/96/88/65/822968865.db2.gz YNZDKVXGZPRBGC-UHFFFAOYSA-N -1 3 259.696 3.292 20 0 CGADHM Cc1nc2c[nH]cc(-c3cccc(Cl)c3[O-])c-2n1 ZINC001242366496 822968869 /nfs/dbraw/zinc/96/88/69/822968869.db2.gz YNZDKVXGZPRBGC-UHFFFAOYSA-N -1 3 259.696 3.292 20 0 CGADHM c1cc(-c2nnn[n-]2)cc(-c2cccc3ccncc32)c1 ZINC001242372650 822972049 /nfs/dbraw/zinc/97/20/49/822972049.db2.gz PGIUXEPAURUOJS-UHFFFAOYSA-N -1 3 273.299 3.082 20 0 CGADHM c1cc(-c2nn[n-]n2)cc(-c2cccc3ccncc32)c1 ZINC001242372650 822972052 /nfs/dbraw/zinc/97/20/52/822972052.db2.gz PGIUXEPAURUOJS-UHFFFAOYSA-N -1 3 273.299 3.082 20 0 CGADHM C[C@@H](CCC[C@H](C)C(=O)[O-])NCc1nc2c(s1)CCC2 ZINC001339010409 936344606 /nfs/dbraw/zinc/34/46/06/936344606.db2.gz JOPIWZBVVGTRMO-QWRGUYRKSA-N -1 3 296.436 3.001 20 0 CGADHM O=C(c1cc2sccc2c([O-])c1)N1CCC[C@H]1C(F)F ZINC001347608508 936889249 /nfs/dbraw/zinc/88/92/49/936889249.db2.gz IGLHFSITRBROFG-JTQLQIEISA-N -1 3 297.326 3.477 20 0 CGADHM O=C([N-]c1nncs1)c1c(Cl)oc2ccccc21 ZINC001349192721 936944236 /nfs/dbraw/zinc/94/42/36/936944236.db2.gz RFRDYYHLJWSNMB-UHFFFAOYSA-N -1 3 279.708 3.190 20 0 CGADHM O=C([N-]c1cc(Cl)ccc1F)c1c(F)ccnc1F ZINC001350152794 936981050 /nfs/dbraw/zinc/98/10/50/936981050.db2.gz QKLZZSMPBKEUIV-UHFFFAOYSA-N -1 3 286.640 3.405 20 0 CGADHM [O-]c1ccc(Cl)cc1/C=N/Cc1cccc2c1OCO2 ZINC000124763972 926951422 /nfs/dbraw/zinc/95/14/22/926951422.db2.gz MNBCGKJAFBVZFL-CAOOACKPSA-N -1 3 289.718 3.393 20 0 CGADHM Cc1ncoc1C(=O)[N-]c1csnc1-c1ccccc1 ZINC001360450950 937219759 /nfs/dbraw/zinc/21/97/59/937219759.db2.gz DPCYMOGTRSRZIG-UHFFFAOYSA-N -1 3 285.328 3.359 20 0 CGADHM CO/C(=C/c1ccccc1)C(=O)Nc1cccc([O-])c1F ZINC001545835766 937247893 /nfs/dbraw/zinc/24/78/93/937247893.db2.gz NFFGTXMFGAKYRI-GXDHUFHOSA-N -1 3 287.290 3.157 20 0 CGADHM CCc1cccc(NC(=O)Cc2ccc([O-])c(F)c2)c1 ZINC001440409187 937328834 /nfs/dbraw/zinc/32/88/34/937328834.db2.gz JVGGLPJLZXSKOP-UHFFFAOYSA-N -1 3 273.307 3.275 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2nc3c(s2)CCC3)c1 ZINC001440658268 937332376 /nfs/dbraw/zinc/33/23/76/937332376.db2.gz ITBNUYHJFRYIGY-UHFFFAOYSA-N -1 3 288.372 3.152 20 0 CGADHM O=C(CCCC(=O)c1ccccc1)[N-]OCc1ccccc1 ZINC001440905737 937335250 /nfs/dbraw/zinc/33/52/50/937335250.db2.gz ZBPQCJRLRVDSJA-UHFFFAOYSA-N -1 3 297.354 3.288 20 0 CGADHM C/C(=C/c1cccnc1)C(=O)Nc1cc(Cl)ccc1[O-] ZINC001446527546 937363632 /nfs/dbraw/zinc/36/36/32/937363632.db2.gz QVCBVQMLXPMABQ-YFHOEESVSA-N -1 3 288.734 3.483 20 0 CGADHM Cc1cc(C)c(NC(=O)Cc2ccc([O-])c(F)c2)cc1O ZINC001447383580 937368260 /nfs/dbraw/zinc/36/82/60/937368260.db2.gz ZOCMUZWGWAWFIG-UHFFFAOYSA-N -1 3 289.306 3.035 20 0 CGADHM C[C@@H]1CC[C@H](C(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)C[C@@H]1C ZINC001450050229 937382669 /nfs/dbraw/zinc/38/26/69/937382669.db2.gz KJBRJEUUXQUZAC-VWYCJHECSA-N -1 3 287.363 3.279 20 0 CGADHM CSc1ccc([O-])c(C(=O)N[C@@H]2C[C@H]2C2CCC2)c1 ZINC001451992230 937392992 /nfs/dbraw/zinc/39/29/92/937392992.db2.gz RMROJVRFIILOQT-WCQYABFASA-N -1 3 277.389 3.033 20 0 CGADHM COc1cccc([O-])c1C(=O)N[C@@H]1CCC[C@H](C2CC2)C1 ZINC001451805755 937392764 /nfs/dbraw/zinc/39/27/64/937392764.db2.gz OPCDSCZTVKYQCT-QWHCGFSZSA-N -1 3 289.375 3.099 20 0 CGADHM CC(=O)c1cccc(NC(=O)c2cc(C)c(C)o2)c1[O-] ZINC001450612889 937386766 /nfs/dbraw/zinc/38/67/66/937386766.db2.gz YWAGGZBOGHQTTJ-UHFFFAOYSA-N -1 3 273.288 3.057 20 0 CGADHM CCc1ccc(-c2cc(C(=O)[N-]c3ccon3)no2)cc1 ZINC001461079204 937562675 /nfs/dbraw/zinc/56/26/75/937562675.db2.gz MBZTXYOGFAPHTM-UHFFFAOYSA-N -1 3 283.287 3.144 20 0 CGADHM C[C@H]1CC[C@@H](COc2cccc([O-])c2Br)O1 ZINC001229139451 932103159 /nfs/dbraw/zinc/10/31/59/932103159.db2.gz GVXXEURTUDNORS-IUCAKERBSA-N -1 3 287.153 3.101 20 0 CGADHM Cc1csc2[n-]c(=S)nc(OC[C@@H]3CCCCO3)c12 ZINC001229351928 932137060 /nfs/dbraw/zinc/13/70/60/932137060.db2.gz DTFYRNFUASTNMR-VIFPVBQESA-N -1 3 296.417 3.236 20 0 CGADHM Cc1csc2[n-]c(=S)nc(O[C@H]3CCOC[C@H]3C)c12 ZINC001229353138 932138946 /nfs/dbraw/zinc/13/89/46/932138946.db2.gz LWTDYIZWJABVKF-APPZFPTMSA-N -1 3 296.417 3.092 20 0 CGADHM [O-]c1cc(O[C@H]2CN3CCC2CC3)c(Cl)cc1Cl ZINC001229411531 932147166 /nfs/dbraw/zinc/14/71/66/932147166.db2.gz RNDPDQBCUXLFAB-ZDUSSCGKSA-N -1 3 288.174 3.172 20 0 CGADHM Cc1ccc(C(=O)c2ccc([O-])c(OC[C@H]3CCO3)c2)cc1 ZINC001229542463 932169161 /nfs/dbraw/zinc/16/91/61/932169161.db2.gz MSQYSHNPSZBQBR-OAHLLOKOSA-N -1 3 298.338 3.099 20 0 CGADHM COC1=CC[C@@H](Oc2nc(=S)[n-]c3sccc32)CC1 ZINC001229566576 932173447 /nfs/dbraw/zinc/17/34/47/932173447.db2.gz PNUCPEIULUFRKM-SECBINFHSA-N -1 3 294.401 3.442 20 0 CGADHM Cc1ccc2c(c1)CC[C@H]2Oc1nc(C)[n-]c(=O)c1C ZINC001229684305 932188461 /nfs/dbraw/zinc/18/84/61/932188461.db2.gz ZRCWXEPPQLNSCQ-CQSZACIVSA-N -1 3 270.332 3.174 20 0 CGADHM Cc1cccc([C@H](C)Oc2nc(C)[n-]c(=O)c2C)c1 ZINC001229687183 932469410 /nfs/dbraw/zinc/46/94/10/932469410.db2.gz YUUJCMSVSPTGHN-NSHDSACASA-N -1 3 258.321 3.247 20 0 CGADHM CCO[C@H]1C[C@H](N(C)Cc2ccc([O-])c(F)c2F)C1(C)C ZINC001461860125 937601892 /nfs/dbraw/zinc/60/18/92/937601892.db2.gz NRBCACOVZQVFLB-STQMWFEESA-N -1 3 299.361 3.306 20 0 CGADHM CCCCC[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC001229951243 932507519 /nfs/dbraw/zinc/50/75/19/932507519.db2.gz QAVQMITWWMCXBO-NSHDSACASA-N -1 3 260.341 3.214 20 0 CGADHM CCCCC[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC001229951243 932507521 /nfs/dbraw/zinc/50/75/21/932507521.db2.gz QAVQMITWWMCXBO-NSHDSACASA-N -1 3 260.341 3.214 20 0 CGADHM COc1ccccc1[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC001229956991 932509911 /nfs/dbraw/zinc/50/99/11/932509911.db2.gz HVAGTGLBDYAUJH-NSHDSACASA-N -1 3 296.330 3.015 20 0 CGADHM COc1ccccc1[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC001229956991 932509912 /nfs/dbraw/zinc/50/99/12/932509912.db2.gz HVAGTGLBDYAUJH-NSHDSACASA-N -1 3 296.330 3.015 20 0 CGADHM Cc1cccc([C@H](C)Oc2ccccc2-c2nnn[n-]2)c1 ZINC001229955757 932510319 /nfs/dbraw/zinc/51/03/19/932510319.db2.gz YOBAHBSOGALDCS-LBPRGKRZSA-N -1 3 280.331 3.315 20 0 CGADHM Cc1cccc([C@H](C)Oc2ccccc2-c2nn[n-]n2)c1 ZINC001229955757 932510325 /nfs/dbraw/zinc/51/03/25/932510325.db2.gz YOBAHBSOGALDCS-LBPRGKRZSA-N -1 3 280.331 3.315 20 0 CGADHM C[C@@H](Oc1nc(=O)[n-]cc1-c1ccccc1)C1CC1 ZINC001230970941 932650632 /nfs/dbraw/zinc/65/06/32/932650632.db2.gz PDWADSAMZDGRFF-SNVBAGLBSA-N -1 3 256.305 3.027 20 0 CGADHM CCCCCC(C)(C)C[N-]S(=O)(=O)c1ccc(C)o1 ZINC001309285611 933231195 /nfs/dbraw/zinc/23/11/95/933231195.db2.gz MVQZLWNDLIXFCW-UHFFFAOYSA-N -1 3 287.425 3.473 20 0 CGADHM CCO[N-]C(=O)Cc1cc(Cl)cc2ccccc21 ZINC001463895012 937682610 /nfs/dbraw/zinc/68/26/10/937682610.db2.gz CQMTYBBXRKNVPX-UHFFFAOYSA-N -1 3 263.724 3.103 20 0 CGADHM CCN(Cc1ccccc1)C(=O)Cc1ccc([O-])c(F)c1 ZINC001463897254 937682738 /nfs/dbraw/zinc/68/27/38/937682738.db2.gz SFVZJEWNMLPPGZ-UHFFFAOYSA-N -1 3 287.334 3.123 20 0 CGADHM O=S(=O)([N-][C@@]12C[C@@H]1CCCC2)c1ccc(Cl)s1 ZINC001464251830 937687892 /nfs/dbraw/zinc/68/78/92/937687892.db2.gz AWPZLYMONSLRKK-KWQFWETISA-N -1 3 291.825 3.013 20 0 CGADHM O=C(NC[C@@H]1CCCS1)c1cc2sccc2c([O-])c1 ZINC001466073134 937706224 /nfs/dbraw/zinc/70/62/24/937706224.db2.gz YNKOCWLYDUAXJR-JTQLQIEISA-N -1 3 293.413 3.232 20 0 CGADHM Cc1ccc([O-])c(NC(=O)/C(F)=C/C2CCCCC2)n1 ZINC001467593302 937719492 /nfs/dbraw/zinc/71/94/92/937719492.db2.gz XJOFEKRBWIZBDT-XFXZXTDPSA-N -1 3 278.327 3.468 20 0 CGADHM [O-]c1cc(Cl)ccc1NC(=S)NCC1CCC1 ZINC001319454736 933879001 /nfs/dbraw/zinc/87/90/01/933879001.db2.gz SFODJSQXCPPGHR-UHFFFAOYSA-N -1 3 270.785 3.132 20 0 CGADHM C[C@@H]1CN(C(=O)Cc2ccc([O-])c(F)c2)c2ccccc21 ZINC001469209737 937736970 /nfs/dbraw/zinc/73/69/70/937736970.db2.gz CDTJIJRYDYHYOS-LLVKDONJSA-N -1 3 285.318 3.224 20 0 CGADHM CCCC1CCN(C(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC001322283919 934271049 /nfs/dbraw/zinc/27/10/49/934271049.db2.gz PAFZBSPRZXXNDY-UHFFFAOYSA-N -1 3 294.370 3.253 20 0 CGADHM Cc1ccc(C(=O)Nc2cc(F)ccc2N(C)C)c([O-])c1 ZINC001471719430 937768934 /nfs/dbraw/zinc/76/89/34/937768934.db2.gz HCEINUZYLFWWHE-UHFFFAOYSA-N -1 3 288.322 3.158 20 0 CGADHM C[C@@H](COCC1CCCCC1)NC(=O)c1ccccc1[O-] ZINC001471974178 937771363 /nfs/dbraw/zinc/77/13/63/937771363.db2.gz YMJDGJITZJUSHP-ZDUSSCGKSA-N -1 3 291.391 3.107 20 0 CGADHM Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)[N-]OC(C)C ZINC001324501031 934516186 /nfs/dbraw/zinc/51/61/86/934516186.db2.gz OULZXUAQFQVFCL-CHWSQXEVSA-N -1 3 261.365 3.432 20 0 CGADHM O=C(NC/C=C/C1CC1)c1cc2sccc2c([O-])c1 ZINC001324604858 934531880 /nfs/dbraw/zinc/53/18/80/934531880.db2.gz HHOTZWXHMPQACT-OWOJBTEDSA-N -1 3 273.357 3.303 20 0 CGADHM CC1(C)CCC[C@H](CNC(=O)c2c([O-])cccc2O)C1 ZINC001472578401 937777817 /nfs/dbraw/zinc/77/78/17/937777817.db2.gz DECLBVNKAHJCRV-NSHDSACASA-N -1 3 277.364 3.044 20 0 CGADHM CC(C)O[N-]C(=O)CCCOc1cccc2ccccc21 ZINC001325260830 934899326 /nfs/dbraw/zinc/89/93/26/934899326.db2.gz GLDSAPYPJZBIII-UHFFFAOYSA-N -1 3 287.359 3.455 20 0 CGADHM CON(C(=O)c1cc(Cc2ccccc2)ccc1[O-])C(C)C ZINC001329181539 935193844 /nfs/dbraw/zinc/19/38/44/935193844.db2.gz BKADWGODVPPKTH-UHFFFAOYSA-N -1 3 299.370 3.395 20 0 CGADHM Cc1cnc2ccccc2c1N1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC001329237887 935197803 /nfs/dbraw/zinc/19/78/03/935197803.db2.gz XEWYDNYXPDOIHG-STQMWFEESA-N -1 3 284.359 3.090 20 0 CGADHM O=C([O-])[C@@H]1c2ccoc2CCN1Cc1ccccc1C1CC1 ZINC001329589777 935230964 /nfs/dbraw/zinc/23/09/64/935230964.db2.gz PGKPSAFASZHIIC-KRWDZBQOSA-N -1 3 297.354 3.341 20 0 CGADHM CC(C)c1nc(CN[C@]2(C)CCCC[C@H]2C(=O)[O-])cs1 ZINC001332423640 935468665 /nfs/dbraw/zinc/46/86/65/935468665.db2.gz RESAJHYRJKVCTM-SWLSCSKDSA-N -1 3 296.436 3.390 20 0 CGADHM CC[C@@H](F)C(=O)[N-][C@@H](c1c(F)cccc1F)C(F)(F)F ZINC001337213026 936243571 /nfs/dbraw/zinc/24/35/71/936243571.db2.gz UAQIEWGSLJHMKY-LDWIPMOCSA-N -1 3 299.214 3.433 20 0 CGADHM CC(C)[C@@]1(C)C[C@H]1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC001475371126 937883093 /nfs/dbraw/zinc/88/30/93/937883093.db2.gz NQEALXDUQGHYOB-LDYMZIIASA-N -1 3 293.841 3.114 20 0 CGADHM CCC(F)(F)C(=O)[N-]Cc1cccc(OC(F)(F)F)c1 ZINC001520933968 938028783 /nfs/dbraw/zinc/02/87/83/938028783.db2.gz PFYZJEKFGKNLIB-UHFFFAOYSA-N -1 3 297.223 3.247 20 0 CGADHM C[C@H](OC(=O)c1cccc(Cl)c1[O-])c1cncc(F)c1 ZINC001525081182 938047592 /nfs/dbraw/zinc/04/75/92/938047592.db2.gz QPUGXZXZERAYAW-QMMMGPOBSA-N -1 3 295.697 3.498 20 0 CGADHM Cc1c([N-]C(=O)c2cnc(C3CC3)o2)noc1C(C)(C)C ZINC001532477439 938086772 /nfs/dbraw/zinc/08/67/72/938086772.db2.gz CERNWHJYJNEIHG-UHFFFAOYSA-N -1 3 289.335 3.398 20 0 CGADHM CSc1cc(F)ccc1[N-]C(=O)c1cc(C)on1 ZINC001537378569 938109845 /nfs/dbraw/zinc/10/98/45/938109845.db2.gz RAXIKYBDINTEOC-UHFFFAOYSA-N -1 3 266.297 3.096 20 0 CGADHM CC[C@H]1CCC[C@@]1(C)C(=O)[N-]OCc1ccccc1 ZINC001540601385 938132377 /nfs/dbraw/zinc/13/23/77/938132377.db2.gz WDRNOWSTEFXDJX-GOEBONIOSA-N -1 3 261.365 3.451 20 0 CGADHM Cc1cccc([O-])c1C(=O)Nc1cccc2[nH]ccc21 ZINC001542745521 938136736 /nfs/dbraw/zinc/13/67/36/938136736.db2.gz VPEPQOVBMMELCJ-UHFFFAOYSA-N -1 3 266.300 3.434 20 0 CGADHM O=C(Nc1ccc(Cl)cc1[O-])c1cnc2[nH]ccc2c1 ZINC001556081851 938201588 /nfs/dbraw/zinc/20/15/88/938201588.db2.gz ODLBHXKLJCWBOD-UHFFFAOYSA-N -1 3 287.706 3.126 20 0 CGADHM Cc1cccc([O-])c1C(=O)NCc1cc2ccccc2[nH]1 ZINC001556586950 938204562 /nfs/dbraw/zinc/20/45/62/938204562.db2.gz MMIHMELNAGAAAS-UHFFFAOYSA-N -1 3 280.327 3.112 20 0 CGADHM CSc1ccc([O-])c(C(=O)N[C@H](C)C2(C)CC2)c1 ZINC001558670749 938216988 /nfs/dbraw/zinc/21/69/88/938216988.db2.gz YNIREARNJJNGHE-SECBINFHSA-N -1 3 265.378 3.033 20 0 CGADHM CCc1ccc(NCc2c(F)ccc([O-])c2F)nc1 ZINC001560982285 938287903 /nfs/dbraw/zinc/28/79/03/938287903.db2.gz SHRBSBOYRXRPFG-UHFFFAOYSA-N -1 3 264.275 3.240 20 0 CGADHM CC(C)C1CCC(Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000054555712 944605611 /nfs/dbraw/zinc/60/56/11/944605611.db2.gz KAXLWRVSTHMZCO-UHFFFAOYSA-N -1 3 285.395 3.493 20 0 CGADHM CC(C)C1CCC(Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000054555712 944605613 /nfs/dbraw/zinc/60/56/13/944605613.db2.gz KAXLWRVSTHMZCO-UHFFFAOYSA-N -1 3 285.395 3.493 20 0 CGADHM CC1(C)CCCC[C@H]1Nc1cccc(-c2nnn[n-]2)c1 ZINC000094277274 944608031 /nfs/dbraw/zinc/60/80/31/944608031.db2.gz CLUNBKDUTAEMEH-CYBMUJFWSA-N -1 3 271.368 3.247 20 0 CGADHM CC1(C)CCCC[C@H]1Nc1cccc(-c2nn[n-]n2)c1 ZINC000094277274 944608036 /nfs/dbraw/zinc/60/80/36/944608036.db2.gz CLUNBKDUTAEMEH-CYBMUJFWSA-N -1 3 271.368 3.247 20 0 CGADHM CNc1ccc(C)cc1CN[C@@H](C(=O)[O-])c1cccc(C)c1 ZINC001593803493 954867449 /nfs/dbraw/zinc/86/74/49/954867449.db2.gz CPYIHEPSQFPUIZ-QGZVFWFLSA-N -1 3 298.386 3.261 20 0 CGADHM CC[C@H]1CCCN(Cc2cc(C(=O)[O-])ccc2F)C1 ZINC000062752361 957608999 /nfs/dbraw/zinc/60/89/99/957608999.db2.gz QDJFXEJNVUMINX-NSHDSACASA-N -1 3 265.328 3.146 20 0 CGADHM O=C([O-])[C@@H]1CCCCCN1Cc1c(F)cccc1Cl ZINC000080991927 957770481 /nfs/dbraw/zinc/77/04/81/957770481.db2.gz XZOAXHVQTJWTHF-ZDUSSCGKSA-N -1 3 285.746 3.308 20 0 CGADHM Cc1cc(CN[C@H]2C[C@H](C(=O)[O-])c3ccccc32)c(C)o1 ZINC001594304356 957950544 /nfs/dbraw/zinc/95/05/44/957950544.db2.gz IKJGHEMUHXTRKA-HOTGVXAUSA-N -1 3 285.343 3.299 20 0 CGADHM CCc1ccc(CNCc2ccsc2C(=O)[O-])s1 ZINC000224702398 959852057 /nfs/dbraw/zinc/85/20/57/959852057.db2.gz FHAYEROWCCRTJU-UHFFFAOYSA-N -1 3 281.402 3.360 20 0 CGADHM Cc1cc([C@@H](C)NCc2c[nH]c(C(=O)[O-])c2)c(C)s1 ZINC001574684561 960472913 /nfs/dbraw/zinc/47/29/13/960472913.db2.gz BGJAVFKDNQPUSK-SECBINFHSA-N -1 3 278.377 3.242 20 0 CGADHM C[C@@H]1C[C@H](NCc2cc(C(=O)[O-])ccc2Cl)CS1 ZINC001594262254 960516268 /nfs/dbraw/zinc/51/62/68/960516268.db2.gz VXCFIESBWFIUND-KCJUWKMLSA-N -1 3 285.796 3.022 20 0 CGADHM CCCC[C@@H](N[C@@H](C)c1nc(C(=O)[O-])co1)C1CCC1 ZINC001595637865 960531592 /nfs/dbraw/zinc/53/15/92/960531592.db2.gz VUZMURZRZUUSQY-CMPLNLGQSA-N -1 3 280.368 3.382 20 0 CGADHM O=C([O-])Cc1ccc(CNCc2ccc(Cl)s2)cc1 ZINC000236425615 960580632 /nfs/dbraw/zinc/58/06/32/960580632.db2.gz NZTAYVZTMFGCCA-UHFFFAOYSA-N -1 3 295.791 3.318 20 0 CGADHM O=C([N-]c1ncc(Cl)s1)c1conc1C(F)(F)F ZINC001565731885 960810796 /nfs/dbraw/zinc/81/07/96/960810796.db2.gz VTJDQIRTIVTHHS-UHFFFAOYSA-N -1 3 297.645 3.056 20 0 CGADHM CCCCC[C@@H](C)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC001577503199 962555513 /nfs/dbraw/zinc/55/55/13/962555513.db2.gz WNRSYQPKMFTNLS-LLVKDONJSA-N -1 3 289.383 3.256 20 0 CGADHM CCCCC[C@@H](C)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC001577503199 962555530 /nfs/dbraw/zinc/55/55/30/962555530.db2.gz WNRSYQPKMFTNLS-LLVKDONJSA-N -1 3 289.383 3.256 20 0 CGADHM CNc1ccc(NC(=O)c2ccc(C)c(C)c2[O-])cc1 ZINC001578758969 962601453 /nfs/dbraw/zinc/60/14/53/962601453.db2.gz GHTSUHGFBQYONH-UHFFFAOYSA-N -1 3 270.332 3.303 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)Nc1ccc(O)cc1Cl ZINC001584335962 962913354 /nfs/dbraw/zinc/91/33/54/962913354.db2.gz HPNINKJXHRNYNE-UHFFFAOYSA-N -1 3 295.697 3.072 20 0 CGADHM O=C(NCCc1ccoc1)c1cc([O-])c2ccccc2c1 ZINC001584662470 962945394 /nfs/dbraw/zinc/94/53/94/962945394.db2.gz UIKRTPMVDMBFIL-UHFFFAOYSA-N -1 3 281.311 3.111 20 0 CGADHM O=C(Nc1ccc(C2CC2)cc1F)c1cccc2n[n-]nc21 ZINC001588088809 963245152 /nfs/dbraw/zinc/24/51/52/963245152.db2.gz OGKVCQZPJYCFME-UHFFFAOYSA-N -1 3 296.305 3.227 20 0 CGADHM C[C@H](C(=O)[O-])[C@@H](NCC=C(Cl)Cl)c1ccccc1 ZINC001589468851 963987721 /nfs/dbraw/zinc/98/77/21/963987721.db2.gz FSVFDUNOFBBRCU-JOYOIKCWSA-N -1 3 288.174 3.357 20 0 CGADHM O=C([O-])c1oc2ccccc2c1Cn1cnc2c1CCCC2 ZINC000318012586 970404464 /nfs/dbraw/zinc/40/44/64/970404464.db2.gz ZZJRIYOOZXPTKI-UHFFFAOYSA-N -1 3 296.326 3.255 20 0 CGADHM CC(C)c1[nH]c(CN[C@@H]2CCCC[C@@H]2F)cc1C(=O)[O-] ZINC001591918406 976384259 /nfs/dbraw/zinc/38/42/59/976384259.db2.gz QSXGXSOYZBJAOL-QWHCGFSZSA-N -1 3 282.359 3.207 20 0 CGADHM CC(C)c1cccc(CN[C@@H](C(=O)[O-])c2cccnc2)c1 ZINC001591988121 976615295 /nfs/dbraw/zinc/61/52/95/976615295.db2.gz WCTIATXTDAHRFM-MRXNPFEDSA-N -1 3 284.359 3.121 20 0 CGADHM C[C@H](CCNCc1ncc(C(=O)[O-])s1)CC(C)(C)C ZINC001592521575 978374969 /nfs/dbraw/zinc/37/49/69/978374969.db2.gz WGNSVFRBDMEJSX-SNVBAGLBSA-N -1 3 284.425 3.393 20 0 CGADHM CC[C@H](N[C@@H](CO)c1ccccc1)c1ccc(C(=O)[O-])cc1 ZINC001595317048 980487744 /nfs/dbraw/zinc/48/77/44/980487744.db2.gz LPSZOMRVJJGJRH-IRXDYDNUSA-N -1 3 299.370 3.159 20 0 CGADHM CC[C@](C)(C(=O)[O-])N(Cc1cc(C)co1)CC1CC1 ZINC001594787875 981830096 /nfs/dbraw/zinc/83/00/96/981830096.db2.gz OXYBEOMKMGNGCN-OAHLLOKOSA-N -1 3 265.353 3.053 20 0 CGADHM CCCSC[C@@H](C)NCc1ccc(C(=O)[O-])cc1F ZINC001595987224 983236742 /nfs/dbraw/zinc/23/67/42/983236742.db2.gz WWOGOKCQIWYAOH-SNVBAGLBSA-N -1 3 285.384 3.145 20 0 CGADHM CC(C)[C@@H]1CCCCCN1Cc1nc(C(=O)[O-])cs1 ZINC001591088693 991623443 /nfs/dbraw/zinc/62/34/43/991623443.db2.gz KEZMDZPWFAKDCR-LBPRGKRZSA-N -1 3 282.409 3.242 20 0 CGADHM CC(C)[C@H]1CCN1Cc1ccc(C(=O)[O-])c(Cl)c1 ZINC001591095236 991678459 /nfs/dbraw/zinc/67/84/59/991678459.db2.gz SUHIJBGKRAQZIU-CYBMUJFWSA-N -1 3 267.756 3.269 20 0 CGADHM CC(C)[C@@H]1N(Cc2ccc(C(=O)[O-])c(F)c2)CC1(C)C ZINC001591099816 991715300 /nfs/dbraw/zinc/71/53/00/991715300.db2.gz OOPQRBUNHXULAL-AWEZNQCLSA-N -1 3 279.355 3.390 20 0 CGADHM CN(CC/C=C/c1ccccc1)Cc1ccc(C(=O)[O-])cn1 ZINC001598472061 992041828 /nfs/dbraw/zinc/04/18/28/992041828.db2.gz KTRWLGSGULTEKS-WEVVVXLNSA-N -1 3 296.370 3.315 20 0 CGADHM CN(Cc1cccc(OC2CC2)c1F)C(C)(C)CC(=O)[O-] ZINC001598526671 992728699 /nfs/dbraw/zinc/72/86/99/992728699.db2.gz NZEBBYGRDVMTNE-UHFFFAOYSA-N -1 3 295.354 3.052 20 0 CGADHM C[C@H](NC1([C@H]2CCCCO2)CCC1)c1cc(C(=O)[O-])co1 ZINC001593210544 994250413 /nfs/dbraw/zinc/25/04/13/994250413.db2.gz QFVNLMXQSHGEFQ-SMDDNHRTSA-N -1 3 293.363 3.120 20 0 CGADHM C[C@@H](N[C@@H]1CCOC12CCCCC2)c1ccc(C(=O)[O-])o1 ZINC001593232235 994383580 /nfs/dbraw/zinc/38/35/80/994383580.db2.gz MYTWLPVYXRMEJB-BXUZGUMPSA-N -1 3 293.363 3.120 20 0 CGADHM C[C@H](c1ccc(C(=O)[O-])o1)N1CCC=C(c2ccco2)C1 ZINC001593689227 996131287 /nfs/dbraw/zinc/13/12/87/996131287.db2.gz CXPSWUUWWTXTDO-LLVKDONJSA-N -1 3 287.315 3.421 20 0 CGADHM C[C@H](c1ncc(C(=O)[O-])s1)N1CCC[C@H]1C(C)(C)C ZINC001593732446 996312944 /nfs/dbraw/zinc/31/29/44/996312944.db2.gz USLMYTQWFGGOQN-KOLCDFICSA-N -1 3 282.409 3.413 20 0 CGADHM C[C@@H](c1ncc(C(=O)[O-])s1)N1CC[C@@H](C2CCCC2)C1 ZINC001593732497 996313410 /nfs/dbraw/zinc/31/34/10/996313410.db2.gz VPSGDVVEWLXOEM-CMPLNLGQSA-N -1 3 294.420 3.414 20 0 CGADHM COc1ccc(CN[C@H](C)c2cc(C(=O)[O-])cs2)cc1 ZINC001599571644 998374641 /nfs/dbraw/zinc/37/46/41/998374641.db2.gz VDYUMPGSZLABII-SNVBAGLBSA-N -1 3 291.372 3.306 20 0 CGADHM Cc1cccc([O-])c1NC(=O)C1CCC(C(C)(C)O)CC1 ZINC000651638220 398260906 /nfs/dbraw/zinc/26/09/06/398260906.db2.gz QQPMIOZYHUPLRW-UHFFFAOYSA-N -1 3 291.391 3.216 20 0 CGADHM O=C(NCCCC1CC1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621875304 349600046 /nfs/dbraw/zinc/60/00/46/349600046.db2.gz MQQLITUSRWRYGV-UHFFFAOYSA-N -1 3 287.281 3.331 20 0 CGADHM CC[C@@H](C)[C@@H](C)N(C(=O)c1ccc([O-])c(OC)c1)C1CC1 ZINC000436635240 529391179 /nfs/dbraw/zinc/39/11/79/529391179.db2.gz SBWORBQLJSTLKQ-VXGBXAGGSA-N -1 3 291.391 3.440 20 0 CGADHM CC[C@@H](C)[C@@H](NC(=O)c1ccccc1[O-])C(F)(F)F ZINC000436998952 529400703 /nfs/dbraw/zinc/40/07/03/529400703.db2.gz CLZQNUQIZDPQMV-LDYMZIIASA-N -1 3 275.270 3.099 20 0 CGADHM O=C(c1c([O-])cccc1O)N1CC[C@H](C2CCCCC2)C1 ZINC000622161935 349640714 /nfs/dbraw/zinc/64/07/14/349640714.db2.gz RQRBYCLVQZKLMS-ZDUSSCGKSA-N -1 3 289.375 3.140 20 0 CGADHM Cc1cccc(C(=O)N2CC(C)(c3ccccc3)C2)c1[O-] ZINC000622212363 349653128 /nfs/dbraw/zinc/65/31/28/349653128.db2.gz MCRFTCSFJAGPRZ-UHFFFAOYSA-N -1 3 281.355 3.114 20 0 CGADHM CCc1ccc(C(=O)N[C@H](C)C2CCCC2)c([O-])c1 ZINC000622372254 349675773 /nfs/dbraw/zinc/67/57/73/349675773.db2.gz GTPXEVIJSMLRKX-LLVKDONJSA-N -1 3 261.365 3.263 20 0 CGADHM C[C@@H](OCc1ccc(F)cc1)C(=O)Nc1ccccc1[O-] ZINC000622322505 349672113 /nfs/dbraw/zinc/67/21/13/349672113.db2.gz SFOWXBVHWBKGBM-LLVKDONJSA-N -1 3 289.306 3.075 20 0 CGADHM CCc1cc(C(=O)N2CC[C@H](CC3CC3)C2)ccc1[O-] ZINC000359703362 529514414 /nfs/dbraw/zinc/51/44/14/529514414.db2.gz BNVDGYPIYWZGNK-CYBMUJFWSA-N -1 3 273.376 3.217 20 0 CGADHM C[C@@H]1CCCC[C@@H]1CC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000591175158 346907230 /nfs/dbraw/zinc/90/72/30/346907230.db2.gz HPLQEXFJLVKJOB-DGCLKSJQSA-N -1 3 299.378 3.022 20 0 CGADHM C[C@@H]1CCCC[C@@H]1CC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000591175158 346907232 /nfs/dbraw/zinc/90/72/32/346907232.db2.gz HPLQEXFJLVKJOB-DGCLKSJQSA-N -1 3 299.378 3.022 20 0 CGADHM CCc1ccc(-c2nc(-c3ccc(F)cn3)no2)c([O-])c1 ZINC000436881753 529575635 /nfs/dbraw/zinc/57/56/35/529575635.db2.gz YDJGDKWPTZJCAJ-UHFFFAOYSA-N -1 3 285.278 3.206 20 0 CGADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H]3CC3(C)C)nc2)n1 ZINC000413502987 529564296 /nfs/dbraw/zinc/56/42/96/529564296.db2.gz NZVFAGBWNXXPOU-LBPRGKRZSA-N -1 3 284.363 3.017 20 0 CGADHM CCc1ccc(C(=O)NCc2cccc(COC)c2)c([O-])c1 ZINC000436819487 529605690 /nfs/dbraw/zinc/60/56/90/529605690.db2.gz OCGLXCMLBHDXPX-UHFFFAOYSA-N -1 3 299.370 3.031 20 0 CGADHM CCc1ccc(C(=O)N[C@@H](COC)c2ccccc2)c([O-])c1 ZINC000436822430 529606648 /nfs/dbraw/zinc/60/66/48/529606648.db2.gz UMRKOLAKZCLOIQ-INIZCTEOSA-N -1 3 299.370 3.072 20 0 CGADHM CCc1ccc(C(=O)N2CC[C@H]2Cc2ccccc2)c([O-])c1 ZINC000436831017 529600813 /nfs/dbraw/zinc/60/08/13/529600813.db2.gz FERUUNKHCFRQMB-INIZCTEOSA-N -1 3 295.382 3.412 20 0 CGADHM CCc1ccc(C(=O)N2CCc3cccc(C)c3C2)c([O-])c1 ZINC000436881338 529600840 /nfs/dbraw/zinc/60/08/40/529600840.db2.gz NGZXNVKFLUNVHG-UHFFFAOYSA-N -1 3 295.382 3.462 20 0 CGADHM Cc1cccc([C@@H]2CCN(C(=O)c3ccc(O)cc3[O-])C2)c1 ZINC000273151829 192059648 /nfs/dbraw/zinc/05/96/48/192059648.db2.gz XTDVYGPKBLOLMG-CQSZACIVSA-N -1 3 297.354 3.036 20 0 CGADHM CCc1ccc([C@@H](C)NC(=O)c2c([O-])cccc2O)cc1 ZINC000436675341 529706331 /nfs/dbraw/zinc/70/63/31/529706331.db2.gz UPATXQRGLUEUEF-LLVKDONJSA-N -1 3 285.343 3.151 20 0 CGADHM COCc1cccc(C(=O)N2CCCc3cccc([O-])c32)c1 ZINC000155578505 136395585 /nfs/dbraw/zinc/39/55/85/136395585.db2.gz PRGPKSCICBIMSX-UHFFFAOYSA-N -1 3 297.354 3.132 20 0 CGADHM CC[C@@H](c1ccc(F)cc1F)N1CCC(C(=O)[O-])CC1 ZINC000003759387 344859505 /nfs/dbraw/zinc/85/95/05/344859505.db2.gz MVWNOSIYOHISNT-AWEZNQCLSA-N -1 3 283.318 3.213 20 0 CGADHM O=C(c1ccccc1[O-])N1CCC(c2ccc(O)cc2)CC1 ZINC000042849798 344988529 /nfs/dbraw/zinc/98/85/29/344988529.db2.gz XETLETUVWPSYDV-UHFFFAOYSA-N -1 3 297.354 3.118 20 0 CGADHM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(F)c2F)c1 ZINC000049375358 345073449 /nfs/dbraw/zinc/07/34/49/345073449.db2.gz FNZHSNKMLAWGNB-UHFFFAOYSA-N -1 3 297.326 3.382 20 0 CGADHM CC(C)(C)C1CCN(Cc2ccc(C(=O)[O-])o2)CC1 ZINC000050347433 345080911 /nfs/dbraw/zinc/08/09/11/345080911.db2.gz QBFKHIQJBUZJSH-UHFFFAOYSA-N -1 3 265.353 3.236 20 0 CGADHM O=C([O-])CCC1CCN(Cc2ccccc2Cl)CC1 ZINC000050926273 345085492 /nfs/dbraw/zinc/08/54/92/345085492.db2.gz IFOFSFQIYQEPRW-UHFFFAOYSA-N -1 3 281.783 3.417 20 0 CGADHM Cc1ccc(C(=O)N(C)Cc2ccc(F)cc2)c([O-])c1C ZINC000048380621 345065596 /nfs/dbraw/zinc/06/55/96/345065596.db2.gz ZDGFZTJCKNDTOI-UHFFFAOYSA-N -1 3 287.334 3.420 20 0 CGADHM CC(C)c1ccc(C(=O)NCCc2ccco2)c([O-])c1 ZINC000048369728 345065616 /nfs/dbraw/zinc/06/56/16/345065616.db2.gz RHKCTFAEPJNJSU-UHFFFAOYSA-N -1 3 273.332 3.081 20 0 CGADHM CCN(c1ccc(C(=O)Nc2ncccc2[O-])cc1)C(C)C ZINC000063875845 345254590 /nfs/dbraw/zinc/25/45/90/345254590.db2.gz BOKSCGKFEJFKBG-UHFFFAOYSA-N -1 3 299.374 3.274 20 0 CGADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CCc2ccccc21 ZINC000065617432 345275301 /nfs/dbraw/zinc/27/53/01/345275301.db2.gz OIXLZKRKQAMADH-UHFFFAOYSA-N -1 3 293.366 3.474 20 0 CGADHM Cc1ccc(C(=O)NCCOc2cc(C)cc(C)c2)c([O-])c1 ZINC000065697946 345276331 /nfs/dbraw/zinc/27/63/31/345276331.db2.gz PWJHXYPEBTUWFI-UHFFFAOYSA-N -1 3 299.370 3.126 20 0 CGADHM C[C@@H]1CCCCCN1Cc1ccc(C(=O)[O-])cc1F ZINC000070413718 345391116 /nfs/dbraw/zinc/39/11/16/345391116.db2.gz XZNSBGPYKJEBJF-LLVKDONJSA-N -1 3 265.328 3.288 20 0 CGADHM Cc1ccc([O-])c(C(=O)NCc2ccc3ccccc3n2)c1 ZINC000075909060 345528195 /nfs/dbraw/zinc/52/81/95/345528195.db2.gz OTDHGXSQAOITTE-UHFFFAOYSA-N -1 3 292.338 3.179 20 0 CGADHM CC[C@H]1CCCN(Cc2cc(C)c(C(=O)[O-])o2)CC1 ZINC000079348702 345638388 /nfs/dbraw/zinc/63/83/88/345638388.db2.gz SXAAWSSBPWPIDY-LBPRGKRZSA-N -1 3 265.353 3.298 20 0 CGADHM Cc1[nH]nc(C(=O)Nc2cc(C(F)(F)F)ccc2[O-])c1C ZINC000081458419 345710088 /nfs/dbraw/zinc/71/00/88/345710088.db2.gz PUCYMJDCMSWBAG-UHFFFAOYSA-N -1 3 299.252 3.003 20 0 CGADHM CCc1cccc(C(=O)N2CCC[C@H](C)CC2)c1[O-] ZINC000081957977 345721022 /nfs/dbraw/zinc/72/10/22/345721022.db2.gz VMQSEIIHIDVQFF-LBPRGKRZSA-N -1 3 261.365 3.217 20 0 CGADHM [O-]c1ccc(CNCc2ccc(F)cc2F)cc1F ZINC000083494241 345726590 /nfs/dbraw/zinc/72/65/90/345726590.db2.gz PXSHQUVKEZQSPN-UHFFFAOYSA-N -1 3 267.250 3.099 20 0 CGADHM Cc1cc(C(=O)[N-]c2c(F)cccc2Br)no1 ZINC000084246009 345732094 /nfs/dbraw/zinc/73/20/94/345732094.db2.gz ZRBYLNPKCRSHKV-UHFFFAOYSA-N -1 3 299.099 3.137 20 0 CGADHM Cc1ccc(C(=O)Nc2cc(Cl)ccn2)c([O-])c1 ZINC000162928229 232254607 /nfs/dbraw/zinc/25/46/07/232254607.db2.gz ZEYLUEYYLWPVPZ-UHFFFAOYSA-N -1 3 262.696 3.001 20 0 CGADHM Cc1ccc([O-])c(CN(CC2CCC2)CC(F)(F)F)n1 ZINC000091863260 345824581 /nfs/dbraw/zinc/82/45/81/345824581.db2.gz HHXJINHJAVUJIU-UHFFFAOYSA-N -1 3 288.313 3.260 20 0 CGADHM Cc1cccc2c(=O)c(C(=O)N3CC[C@H](C)[C@H](C)C3)c[n-]c12 ZINC000165450098 232261513 /nfs/dbraw/zinc/26/15/13/232261513.db2.gz HOKQRIWVGZQUIN-WCQYABFASA-N -1 3 298.386 3.367 20 0 CGADHM O=C(N[C@H](c1ccccc1)[C@H]1CCCO1)c1ccccc1[O-] ZINC000171467003 232268460 /nfs/dbraw/zinc/26/84/60/232268460.db2.gz OKGOYUGVJAFYQI-IAGOWNOFSA-N -1 3 297.354 3.042 20 0 CGADHM CCCOc1cccc(CN2CCC(CC(=O)[O-])CC2)c1 ZINC000093682253 345884139 /nfs/dbraw/zinc/88/41/39/345884139.db2.gz ULXJMPFEPZXQKR-UHFFFAOYSA-N -1 3 291.391 3.162 20 0 CGADHM C[C@H](c1ccc(F)cc1)N1CCC(CC(=O)[O-])CC1 ZINC000093681978 345884192 /nfs/dbraw/zinc/88/41/92/345884192.db2.gz XCNRJHLIGTYEHL-LLVKDONJSA-N -1 3 265.328 3.073 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)COc2ccccc2)c1[O-] ZINC000116979057 345980809 /nfs/dbraw/zinc/98/08/09/345980809.db2.gz GVLTXWCCYBGYPT-UHFFFAOYSA-N -1 3 291.734 3.372 20 0 CGADHM Cc1ccc(-c2nnc(NC(=O)C3(C)CCCCC3)[n-]2)o1 ZINC000121691186 346002948 /nfs/dbraw/zinc/00/29/48/346002948.db2.gz JJKWDRVKWGVOLQ-UHFFFAOYSA-N -1 3 288.351 3.282 20 0 CGADHM Cc1ccc(-c2n[n-]c(NC(=O)C3(C)CCCCC3)n2)o1 ZINC000121691186 346002949 /nfs/dbraw/zinc/00/29/49/346002949.db2.gz JJKWDRVKWGVOLQ-UHFFFAOYSA-N -1 3 288.351 3.282 20 0 CGADHM Cc1ccc(-c2nc(NC(=O)C3(C)CCCCC3)n[n-]2)o1 ZINC000121691186 346002950 /nfs/dbraw/zinc/00/29/50/346002950.db2.gz JJKWDRVKWGVOLQ-UHFFFAOYSA-N -1 3 288.351 3.282 20 0 CGADHM Cc1ccc(C(=O)N2CC[C@@H]3CCCC[C@@H]32)c([O-])c1 ZINC000134278276 346080960 /nfs/dbraw/zinc/08/09/60/346080960.db2.gz YOJLRZBQWDZIRY-JSGCOSHPSA-N -1 3 259.349 3.105 20 0 CGADHM CS[C@@H](C(=O)Nc1ccccc1[O-])c1ccccc1 ZINC000172401079 346221521 /nfs/dbraw/zinc/22/15/21/346221521.db2.gz YKKNMHDTPSUOIT-CQSZACIVSA-N -1 3 273.357 3.435 20 0 CGADHM O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1cccc(Cl)c1F ZINC000229214934 346316111 /nfs/dbraw/zinc/31/61/11/346316111.db2.gz AFCNTFCDUXTJLW-PUYPPJJSSA-N -1 3 297.757 3.164 20 0 CGADHM C[C@H]1CCN(Cc2c(F)cccc2Cl)[C@@H](C(=O)[O-])C1 ZINC000229303318 346316996 /nfs/dbraw/zinc/31/69/96/346316996.db2.gz UQMWFEBHXDKVIK-TVQRCGJNSA-N -1 3 285.746 3.164 20 0 CGADHM Cc1ccc(CN2CCC(CC(=O)[O-])CC2)c(Cl)c1 ZINC000235869739 346337548 /nfs/dbraw/zinc/33/75/48/346337548.db2.gz UQHMVWJQLLVWKR-UHFFFAOYSA-N -1 3 281.783 3.335 20 0 CGADHM CC[C@H](c1ccc(F)cc1)N1CCSC[C@H]1CC(=O)[O-] ZINC000251084561 346387540 /nfs/dbraw/zinc/38/75/40/346387540.db2.gz MUQAPLHCHSGSNJ-ZIAGYGMSSA-N -1 3 297.395 3.169 20 0 CGADHM CC(C)[C@H](NC(=O)c1cc([O-])ccc1Cl)C1CC1 ZINC000323879847 346490553 /nfs/dbraw/zinc/49/05/53/346490553.db2.gz KRHASCRCHJXUAE-ZDUSSCGKSA-N -1 3 267.756 3.210 20 0 CGADHM C[C@@H](N(C)Cc1c(F)ccc([O-])c1F)C1(C)CC1 ZINC000351774190 219202103 /nfs/dbraw/zinc/20/21/03/219202103.db2.gz JXAQRKAPRGPEBE-SECBINFHSA-N -1 3 255.308 3.291 20 0 CGADHM COc1ccc(C(=O)Nc2nc(C)ccc2[O-])cc1Cl ZINC000351775827 219203582 /nfs/dbraw/zinc/20/35/82/219203582.db2.gz WQLSLWSTPMFFKI-UHFFFAOYSA-N -1 3 292.722 3.010 20 0 CGADHM O=C(CCCc1ccccc1Cl)Nc1ncccc1[O-] ZINC000351800832 219209734 /nfs/dbraw/zinc/20/97/34/219209734.db2.gz AWJMMXSHZSMTQF-UHFFFAOYSA-N -1 3 290.750 3.402 20 0 CGADHM CCC[C@@H](C)Nc1ccc(-c2nc(CC)cc(=O)[n-]2)cn1 ZINC000597903267 347602943 /nfs/dbraw/zinc/60/29/43/347602943.db2.gz YWJBFWFTXPMFDQ-LLVKDONJSA-N -1 3 286.379 3.407 20 0 CGADHM [O-]c1cc(CN2CCC(F)(F)C2)cc(C(F)(F)F)c1 ZINC000356438202 232766938 /nfs/dbraw/zinc/76/69/38/232766938.db2.gz MLWZRVZMSYXVNV-UHFFFAOYSA-N -1 3 281.224 3.252 20 0 CGADHM COC(=O)[C@H](C)SCc1cc([O-])cc(C(F)(F)F)c1 ZINC000603314296 348069960 /nfs/dbraw/zinc/06/99/60/348069960.db2.gz KSLXWECKQJWSHN-ZETCQYMHSA-N -1 3 294.294 3.206 20 0 CGADHM C[C@@H](SCCc1nnn[n-]1)c1ccc(F)c(Cl)c1 ZINC000603340083 348072438 /nfs/dbraw/zinc/07/24/38/348072438.db2.gz SSPKVBOCOBPNER-SSDOTTSWSA-N -1 3 286.763 3.029 20 0 CGADHM C[C@@H](SCCc1nn[n-]n1)c1ccc(F)c(Cl)c1 ZINC000603340083 348072441 /nfs/dbraw/zinc/07/24/41/348072441.db2.gz SSPKVBOCOBPNER-SSDOTTSWSA-N -1 3 286.763 3.029 20 0 CGADHM CC(C)(C)CC[C@@H](CO)NCc1cccc([O-])c1Cl ZINC000339383797 215135498 /nfs/dbraw/zinc/13/54/98/215135498.db2.gz BYTSBDHJFYLTEE-LBPRGKRZSA-N -1 3 285.815 3.322 20 0 CGADHM C[C@@H](CCC(C)(C)C)[N-]S(=O)(=O)c1cccs1 ZINC000605593097 348164554 /nfs/dbraw/zinc/16/45/54/348164554.db2.gz MXSJTDXSQOVKRQ-JTQLQIEISA-N -1 3 275.439 3.241 20 0 CGADHM Cc1ccc([O-])c(C(=O)N[C@H]2C[C@]2(C)c2ccccc2)c1 ZINC000607590197 348249614 /nfs/dbraw/zinc/24/96/14/348249614.db2.gz DPRVNCMXAZHIIJ-FUHWJXTLSA-N -1 3 281.355 3.161 20 0 CGADHM Cc1ccc(C(=O)N2C3CCCC2CCC3)c([O-])c1 ZINC000607868691 348269423 /nfs/dbraw/zinc/26/94/23/348269423.db2.gz PNVAZZUGIJGRTB-UHFFFAOYSA-N -1 3 259.349 3.248 20 0 CGADHM CSc1ccc([O-])c(C(=O)N[C@@H]2CCC(F)(F)C2)c1 ZINC000612490173 348522668 /nfs/dbraw/zinc/52/26/68/348522668.db2.gz FIZJTINMMWXDSN-MRVPVSSYSA-N -1 3 287.331 3.032 20 0 CGADHM CSc1ccc([O-])c(C(=O)N[C@@H](C)C2CCC2)c1 ZINC000613000471 348558023 /nfs/dbraw/zinc/55/80/23/348558023.db2.gz AQOFSNPALAOLLR-VIFPVBQESA-N -1 3 265.378 3.033 20 0 CGADHM O=C(Cc1cc(C2CC2)no1)Nc1ccc(Cl)cc1[O-] ZINC000613028981 348560057 /nfs/dbraw/zinc/56/00/57/348560057.db2.gz VFZYDIXEEXJORV-UHFFFAOYSA-N -1 3 292.722 3.092 20 0 CGADHM CO[C@@H]1CC[C@@H](C(=O)N2CC[C@@H](C)c3cccc([O-])c32)C1 ZINC000613573765 348619495 /nfs/dbraw/zinc/61/94/95/348619495.db2.gz BQNHKCLBXGQGAB-JHJVBQTASA-N -1 3 289.375 3.048 20 0 CGADHM CC(C)c1scnc1[N-]C(=O)c1ncccc1F ZINC000614960043 348703503 /nfs/dbraw/zinc/70/35/03/348703503.db2.gz KGZMSXBJSMZESB-UHFFFAOYSA-N -1 3 265.313 3.053 20 0 CGADHM CCN(C(=O)c1ccc(C(C)=O)c([O-])c1)[C@@H](C)C(C)C ZINC000615008559 348707155 /nfs/dbraw/zinc/70/71/55/348707155.db2.gz ZGZYRTUUZKTFNS-NSHDSACASA-N -1 3 277.364 3.101 20 0 CGADHM CCC1(NC(=O)c2ccc3[nH][n-]c(=O)c3c2)CCCCC1 ZINC000615866677 348770272 /nfs/dbraw/zinc/77/02/72/348770272.db2.gz YOXVNUGJMOQHFL-UHFFFAOYSA-N -1 3 287.363 3.111 20 0 CGADHM CC[C@@H](C)CCC(=O)NCc1ccc([O-])c2ncccc12 ZINC000616022348 348782633 /nfs/dbraw/zinc/78/26/33/348782633.db2.gz FMDDQZCPLJZNEC-GFCCVEGCSA-N -1 3 286.375 3.383 20 0 CGADHM CSc1ccc([O-])c(C(=O)N[C@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000616241703 348801926 /nfs/dbraw/zinc/80/19/26/348801926.db2.gz GIGHWMWSMFGTHH-CDMKHQONSA-N -1 3 277.389 3.033 20 0 CGADHM CCC1(NC(=O)c2ccc(C(C)=O)c([O-])c2)CCCC1 ZINC000615683740 348757868 /nfs/dbraw/zinc/75/78/68/348757868.db2.gz CXLMWJSIRXZMHQ-UHFFFAOYSA-N -1 3 275.348 3.047 20 0 CGADHM COC(=O)c1cc(NCc2cc([O-])cc(F)c2)ccc1C ZINC000351989156 219279812 /nfs/dbraw/zinc/27/98/12/219279812.db2.gz QLDHMSQSWDDQDC-UHFFFAOYSA-N -1 3 289.306 3.238 20 0 CGADHM CC(C)[C@H]1C[C@@H]1C(=O)Nc1ccc([O-])cc1Cl ZINC000616940960 348885046 /nfs/dbraw/zinc/88/50/46/348885046.db2.gz LJCMHJNTOUCGNB-ZJUUUORDSA-N -1 3 253.729 3.276 20 0 CGADHM C[C@@H](C(=O)Nc1ccc([O-])cc1Cl)C1CCC1 ZINC000616943365 348885912 /nfs/dbraw/zinc/88/59/12/348885912.db2.gz YHKVSALLMVPURZ-MRVPVSSYSA-N -1 3 253.729 3.420 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-][C@H](C)c2ccc(C)c(F)c2)o1 ZINC000358594955 233163349 /nfs/dbraw/zinc/16/33/49/233163349.db2.gz CKVHUYACNFEUHP-LLVKDONJSA-N -1 3 297.351 3.075 20 0 CGADHM Cn1cnc2cc(C=Cc3cc(=O)[n-]c(C4CC4)n3)ccc21 ZINC000352021104 219292273 /nfs/dbraw/zinc/29/22/73/219292273.db2.gz MYEXDZHWNNIOJE-QHHAFSJGSA-N -1 3 292.342 3.117 20 0 CGADHM Cc1ccc(CC2CN(C(=O)c3ccc(C)cc3[O-])C2)cc1 ZINC000618890426 349177020 /nfs/dbraw/zinc/17/70/20/349177020.db2.gz XHHMEOJVOGWVKE-UHFFFAOYSA-N -1 3 295.382 3.324 20 0 CGADHM Cc1ccc(CC2CN(C(=O)c3cc(C)ccc3[O-])C2)cc1 ZINC000618892392 349177070 /nfs/dbraw/zinc/17/70/70/349177070.db2.gz YQZZNCJKRBUYQD-UHFFFAOYSA-N -1 3 295.382 3.324 20 0 CGADHM O=C(NCc1ccc([O-])c(F)c1)[C@H]1CC12CCCCC2 ZINC000358928071 233217050 /nfs/dbraw/zinc/21/70/50/233217050.db2.gz DWGJYLMFTLHQLP-GFCCVEGCSA-N -1 3 277.339 3.118 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2nc3ccc(F)cc3s2)n1 ZINC000352034470 219297190 /nfs/dbraw/zinc/29/71/90/219297190.db2.gz CBNPIRXRCHAUTG-PLNGDYQASA-N -1 3 287.319 3.410 20 0 CGADHM COc1ccc(C(=O)N2CCC[C@@H](C3CCC3)C2)c([O-])c1 ZINC000620213791 349341202 /nfs/dbraw/zinc/34/12/02/349341202.db2.gz GDZWCUZMNVAWDK-CYBMUJFWSA-N -1 3 289.375 3.053 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2ccc3occc3c2)n1 ZINC000352036183 219299139 /nfs/dbraw/zinc/29/91/39/219299139.db2.gz XFKLBMMRZPVNLC-HYXAFXHYSA-N -1 3 252.273 3.407 20 0 CGADHM C[C@H]1CN(Cc2cc([O-])ccc2Cl)CC(C)(C)O1 ZINC000625102833 350127992 /nfs/dbraw/zinc/12/79/92/350127992.db2.gz KMWDFSVCEYCODD-JTQLQIEISA-N -1 3 269.772 3.045 20 0 CGADHM CCN(Cc1cc([O-])ccc1Cl)CC(F)(F)F ZINC000625159868 350134225 /nfs/dbraw/zinc/13/42/25/350134225.db2.gz DMFLGJMWRQGXMR-UHFFFAOYSA-N -1 3 267.678 3.430 20 0 CGADHM Cc1ncsc1CN(C)Cc1cc([O-])ccc1Cl ZINC000625154049 350134511 /nfs/dbraw/zinc/13/45/11/350134511.db2.gz WZDCTMVHMUPEDC-UHFFFAOYSA-N -1 3 282.796 3.443 20 0 CGADHM C[C@](CO)(NCc1cc([O-])ccc1Cl)c1ccccc1 ZINC000625156797 350134900 /nfs/dbraw/zinc/13/49/00/350134900.db2.gz XJESIWNTVIIISL-MRXNPFEDSA-N -1 3 291.778 3.043 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CCCc2sccc2C1 ZINC000625353720 350163252 /nfs/dbraw/zinc/16/32/52/350163252.db2.gz ZSWHCRJGZUJTFY-UHFFFAOYSA-N -1 3 287.384 3.351 20 0 CGADHM CC[C@H]1CN(Cc2cc([O-])ccc2Cl)[C@H](C)CO1 ZINC000625512459 350179783 /nfs/dbraw/zinc/17/97/83/350179783.db2.gz OUCJXLFQNYJXKA-MFKMUULPSA-N -1 3 269.772 3.045 20 0 CGADHM COC[C@@](C)(NCc1cc([O-])ccc1Cl)C(F)(F)F ZINC000625561443 350184200 /nfs/dbraw/zinc/18/42/00/350184200.db2.gz BBXMPNHGNQARGC-LLVKDONJSA-N -1 3 297.704 3.103 20 0 CGADHM C[C@@H]1CN(C/C=C\c2ccc(F)cc2F)CC[C@H]1C(=O)[O-] ZINC000625970563 350237866 /nfs/dbraw/zinc/23/78/66/350237866.db2.gz UNXVWMIDLOPCQS-ZRNPCAPESA-N -1 3 295.329 3.021 20 0 CGADHM Cc1cccc([O-])c1C(=O)N[C@@H]1CCO[C@@H](CC(C)C)C1 ZINC000626378726 350299745 /nfs/dbraw/zinc/29/97/45/350299745.db2.gz ZBUSEEOIAGATOQ-KGLIPLIRSA-N -1 3 291.391 3.024 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1C[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000626416972 350304226 /nfs/dbraw/zinc/30/42/26/350304226.db2.gz VVOQAJNMRPPRLJ-IHRRRGAJSA-N -1 3 273.376 3.351 20 0 CGADHM Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)c1c(C)cccc1[O-] ZINC000626291880 350292400 /nfs/dbraw/zinc/29/24/00/350292400.db2.gz ZDUNMZCGULPYLM-CYBMUJFWSA-N -1 3 299.374 3.018 20 0 CGADHM CCCC[C@@H](C)N(CCCC)C(=O)c1cc(=O)[n-]cn1 ZINC000627542878 350364759 /nfs/dbraw/zinc/36/47/59/350364759.db2.gz FUEOQSJLKLNXHE-GFCCVEGCSA-N -1 3 279.384 3.003 20 0 CGADHM Cc1cocc1C(=O)[N-]c1nnc(CCC(C)C)s1 ZINC000628040329 350394222 /nfs/dbraw/zinc/39/42/22/350394222.db2.gz ZLZHPLGRYWWUSG-UHFFFAOYSA-N -1 3 279.365 3.280 20 0 CGADHM O=C([O-])[C@@H]1CCN(Cc2ccc(F)cc2F)[C@@H]2CCC[C@@H]21 ZINC000629374222 350682322 /nfs/dbraw/zinc/68/23/22/350682322.db2.gz QATPASVGBXMQMS-UMVBOHGHSA-N -1 3 295.329 3.040 20 0 CGADHM C/C=C/C[C@H]1CCCN(Cc2cc(C)c(C(=O)[O-])o2)C1 ZINC000629375827 350683605 /nfs/dbraw/zinc/68/36/05/350683605.db2.gz NFFFZRXWSROMGI-OOPCZODUSA-N -1 3 277.364 3.464 20 0 CGADHM O=C([O-])[C@@H]1CCN(CCCCC(F)(F)F)[C@@H]2CCC[C@H]21 ZINC000629377614 350684459 /nfs/dbraw/zinc/68/44/59/350684459.db2.gz NXROLJHLAIAMDB-QJPTWQEYSA-N -1 3 293.329 3.294 20 0 CGADHM C[C@H](CN1CC[C@H](C(=O)[O-])[C@@H](C)C1)c1cc(F)cc(F)c1 ZINC000629774278 350766987 /nfs/dbraw/zinc/76/69/87/350766987.db2.gz VSHWKXIMNZMOST-ZETOZRRWSA-N -1 3 297.345 3.111 20 0 CGADHM C/C=C/C[C@@H]1CCCN(C(=O)c2cc(OC)ccc2[O-])C1 ZINC000629878676 350784108 /nfs/dbraw/zinc/78/41/08/350784108.db2.gz OSYXAENJERRUKI-ITDFMYJTSA-N -1 3 289.375 3.219 20 0 CGADHM C[C@@H]1CC[C@@H](c2nc(=O)c3c4c(sc3[n-]2)CCC4)O1 ZINC000630386635 350831042 /nfs/dbraw/zinc/83/10/42/350831042.db2.gz YHHOEWZYAVROLT-APPZFPTMSA-N -1 3 276.361 3.126 20 0 CGADHM Cc1scc(CN[C@H](C(=O)[O-])c2cccc(F)c2)c1C ZINC000630452637 350842485 /nfs/dbraw/zinc/84/24/85/350842485.db2.gz AYFQAYGHQOAADZ-AWEZNQCLSA-N -1 3 293.363 3.420 20 0 CGADHM O=C([O-])C[C@H](CNCc1ccc(Cl)o1)C1CCCC1 ZINC000630471862 350846188 /nfs/dbraw/zinc/84/61/88/350846188.db2.gz HAPSXAAPCKEYOB-LLVKDONJSA-N -1 3 285.771 3.304 20 0 CGADHM Cc1cnc(CNC[C@H](CC(=O)[O-])C2CCCCC2)s1 ZINC000630471483 350846254 /nfs/dbraw/zinc/84/62/54/350846254.db2.gz BYDNZNVXDPNYEI-ZDUSSCGKSA-N -1 3 296.436 3.212 20 0 CGADHM Cc1c2occ([O-])c2ccc1OCCCCCF ZINC000634560303 351514353 /nfs/dbraw/zinc/51/43/53/351514353.db2.gz DGUWOWMMAPZHJA-UHFFFAOYSA-N -1 3 252.285 3.089 20 0 CGADHM CC1(F)CCN(C(=O)CCCc2ccc([O-])c(F)c2)CC1 ZINC000634360386 351475210 /nfs/dbraw/zinc/47/52/10/351475210.db2.gz KWRPHGYIISQHPC-UHFFFAOYSA-N -1 3 297.345 3.205 20 0 CGADHM C[C@H](Cn1ccc2ccccc21)C(=O)[N-]OC/C=C/Cl ZINC000291440915 198023161 /nfs/dbraw/zinc/02/31/61/198023161.db2.gz BAWZMVNZGYSMBA-WNPFHQFXSA-N -1 3 292.766 3.078 20 0 CGADHM Cc1[n-]n(Cc2ccccc2Cl)c(=O)c1C1CC1 ZINC000634597316 351534830 /nfs/dbraw/zinc/53/48/30/351534830.db2.gz HFHJAIYMPJBQIN-CYBMUJFWSA-N -1 3 262.740 3.084 20 0 CGADHM CCc1[n-]n([C@H](C)c2ccncc2)c(=O)c1C(C)C ZINC000634626968 351550184 /nfs/dbraw/zinc/55/01/84/351550184.db2.gz QSPOEBZYQXRUOJ-RISCZKNCSA-N -1 3 259.353 3.023 20 0 CGADHM CC(C)c1nccn1CC(=O)Nc1c([O-])cccc1Cl ZINC000635963741 351706919 /nfs/dbraw/zinc/70/69/19/351706919.db2.gz ONGMEGYKLILMHW-UHFFFAOYSA-N -1 3 293.754 3.004 20 0 CGADHM O=C(c1cc(F)c[n-]c1=O)N(CC1CC1)C1CCCCC1 ZINC000635491052 351663726 /nfs/dbraw/zinc/66/37/26/351663726.db2.gz LYXMVSKCUOWMKE-UHFFFAOYSA-N -1 3 292.354 3.111 20 0 CGADHM CCCC(C)(C)CC(=O)NC(C)(C)c1nc(C)cc(=O)[n-]1 ZINC000636110898 351723373 /nfs/dbraw/zinc/72/33/73/351723373.db2.gz OCGOBHFWQDHPKT-UHFFFAOYSA-N -1 3 293.411 3.058 20 0 CGADHM C[C@@H](CN(C)C(=O)Cc1ccc([O-])c(F)c1)C(C)(C)C ZINC000636429274 351755482 /nfs/dbraw/zinc/75/54/82/351755482.db2.gz CEJRWBCEEPBTOH-NSHDSACASA-N -1 3 281.371 3.214 20 0 CGADHM COCc1cccc(NC(=O)c2ccc(C)c(C)c2[O-])c1 ZINC000122393912 187030044 /nfs/dbraw/zinc/03/00/44/187030044.db2.gz FIDAFITUMDQBJA-UHFFFAOYSA-N -1 3 285.343 3.408 20 0 CGADHM Cc1ccc(NC(=O)[C@](C)(O)[C@@H](C)c2ccccc2)c([O-])c1 ZINC000122531934 187036835 /nfs/dbraw/zinc/03/68/35/187036835.db2.gz HBRRQZHXRITUHD-SCLBCKFNSA-N -1 3 299.370 3.194 20 0 CGADHM CCc1cc(C(=O)N[C@H](C)c2ncc(C)s2)ccc1[O-] ZINC000291966928 198119826 /nfs/dbraw/zinc/11/98/26/198119826.db2.gz PPDDFDAQDUIYBP-SNVBAGLBSA-N -1 3 290.388 3.211 20 0 CGADHM Cc1ccc(NC(=O)[C@H]2CCCN2c2ccccc2)c([O-])c1 ZINC000365870098 234135956 /nfs/dbraw/zinc/13/59/56/234135956.db2.gz GHLOUGPBEABKCW-MRXNPFEDSA-N -1 3 296.370 3.308 20 0 CGADHM Cc1nc(C2CC2)oc1C(=O)[N-]c1nnc(C(C)C)s1 ZINC000273499453 192176255 /nfs/dbraw/zinc/17/62/55/192176255.db2.gz RJIKVIHSUYLGBM-UHFFFAOYSA-N -1 3 292.364 3.088 20 0 CGADHM CCO[N-]C(=O)Cc1csc2ccc(Cl)cc12 ZINC000154647617 188155048 /nfs/dbraw/zinc/15/50/48/188155048.db2.gz ACHFGLWGYJBCNR-UHFFFAOYSA-N -1 3 269.753 3.165 20 0 CGADHM CCc1cccc(NC([O-])=NOCCC(F)(F)F)c1 ZINC000156142792 188245359 /nfs/dbraw/zinc/24/53/59/188245359.db2.gz VMCHECYFGJPBMW-UHFFFAOYSA-N -1 3 276.258 3.255 20 0 CGADHM CCc1cccc(NC(=O)[N-]OCCC(F)(F)F)c1 ZINC000156142792 188245361 /nfs/dbraw/zinc/24/53/61/188245361.db2.gz VMCHECYFGJPBMW-UHFFFAOYSA-N -1 3 276.258 3.255 20 0 CGADHM C/C=C(\C=C\C(=O)NCc1ccc([O-])c(F)c1)CC ZINC000156257182 188251510 /nfs/dbraw/zinc/25/15/10/188251510.db2.gz AVRIOANEEGEZCS-QNTMDFBYSA-N -1 3 263.312 3.060 20 0 CGADHM O=C(NCc1ccc([O-])c(F)c1)[C@@H](c1ccccc1)C1CC1 ZINC000158657678 188387676 /nfs/dbraw/zinc/38/76/76/188387676.db2.gz QDIIDEJAYLCKOR-KRWDZBQOSA-N -1 3 299.345 3.341 20 0 CGADHM C[C@H]1C[C@@H](C(C)(C)C)CCN1C(=O)c1csc(=O)[n-]1 ZINC000335201160 291049562 /nfs/dbraw/zinc/04/95/62/291049562.db2.gz CKPBIUPRFKBBKG-UWVGGRQHSA-N -1 3 282.409 3.136 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])c1ccnc(C2CC2)c1 ZINC000336358495 213208089 /nfs/dbraw/zinc/20/80/89/213208089.db2.gz XGSTYSFIFJPXAA-UHFFFAOYSA-N -1 3 272.279 3.056 20 0 CGADHM O=C(NCCC1CC1)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000189916537 542254008 /nfs/dbraw/zinc/25/40/08/542254008.db2.gz CVPXLEKUIDSESD-UHFFFAOYSA-N -1 3 295.795 3.322 20 0 CGADHM CCO[N-]C(=O)Nc1ccc2nc(SC)sc2c1 ZINC000273690507 192263414 /nfs/dbraw/zinc/26/34/14/192263414.db2.gz LKRILLSIJOMDHQ-UHFFFAOYSA-N -1 3 283.378 3.091 20 0 CGADHM Cc1ccc(-c2nc(CCCOC(C)C)no2)c([O-])c1 ZINC000273746530 192289894 /nfs/dbraw/zinc/28/98/94/192289894.db2.gz ARCMOGCKMMOVQS-UHFFFAOYSA-N -1 3 276.336 3.108 20 0 CGADHM CCc1oc(C(=O)Nc2ccc([O-])cc2F)cc1C ZINC000124594308 138376550 /nfs/dbraw/zinc/37/65/50/138376550.db2.gz XAWKEUOTMIFBDF-UHFFFAOYSA-N -1 3 263.268 3.247 20 0 CGADHM C[C@@H](NCc1ccc(-c2ccccc2)cc1F)C(=O)[O-] ZINC000340690804 215686867 /nfs/dbraw/zinc/68/68/67/215686867.db2.gz MRJYBHBSBCMOLA-LLVKDONJSA-N -1 3 273.307 3.055 20 0 CGADHM O=C(CCc1ccc2ccccc2c1[O-])NCC1CCC1 ZINC000294419021 199032475 /nfs/dbraw/zinc/03/24/75/199032475.db2.gz JMSULWOMKFEFSW-UHFFFAOYSA-N -1 3 283.371 3.394 20 0 CGADHM Cc1ccncc1NC(=O)c1cc([O-])ccc1Cl ZINC000235784020 138514144 /nfs/dbraw/zinc/51/41/44/138514144.db2.gz UCTTXPMOCQNGQO-UHFFFAOYSA-N -1 3 262.696 3.001 20 0 CGADHM Cc1cc(F)c(CN[C@@H]2CC[C@H](C(=O)[O-])C2)c(Cl)c1 ZINC000424618647 236172669 /nfs/dbraw/zinc/17/26/69/236172669.db2.gz MQTVJGSIPBRFEM-VHSXEESVSA-N -1 3 285.746 3.130 20 0 CGADHM Cc1ccc(NC(=O)[C@H](C)OCCc2ccccc2)c([O-])c1 ZINC000294532764 199075870 /nfs/dbraw/zinc/07/58/70/199075870.db2.gz ZLXRSGHNNLCGQD-AWEZNQCLSA-N -1 3 299.370 3.287 20 0 CGADHM O=C([O-])c1ccc(CNCc2cccc3[nH]ccc32)cc1 ZINC000426683141 236306238 /nfs/dbraw/zinc/30/62/38/236306238.db2.gz OZSQMMBAIPUQGP-UHFFFAOYSA-N -1 3 280.327 3.156 20 0 CGADHM Cc1ccc([C@@H](NCc2cc(F)ccc2C)C(=O)[O-])cc1 ZINC000426676800 236306405 /nfs/dbraw/zinc/30/64/05/236306405.db2.gz GUPFJQZNWSYFTI-MRXNPFEDSA-N -1 3 287.334 3.358 20 0 CGADHM Cc1ccc([C@@H](NCc2ccc(C)c(F)c2)C(=O)[O-])cc1 ZINC000426716776 236307545 /nfs/dbraw/zinc/30/75/45/236307545.db2.gz YENVQNPZBZJZBQ-MRXNPFEDSA-N -1 3 287.334 3.358 20 0 CGADHM C[C@]1(C(=O)[O-])CCC[C@@H]1NCc1ccsc1Cl ZINC000426742599 236310295 /nfs/dbraw/zinc/31/02/95/236310295.db2.gz KIBBYLYUXFEBFL-CABZTGNLSA-N -1 3 273.785 3.135 20 0 CGADHM Cc1cc(C)cc([C@@H](NCc2cccc(F)c2)C(=O)[O-])c1 ZINC000426744225 236310432 /nfs/dbraw/zinc/31/04/32/236310432.db2.gz CGGYKBHHIDUZPF-MRXNPFEDSA-N -1 3 287.334 3.358 20 0 CGADHM Cc1cccc(CN[C@H](C(=O)[O-])c2ccccc2F)c1C ZINC000426792182 236314466 /nfs/dbraw/zinc/31/44/66/236314466.db2.gz LLXDWIVQBPWPRK-INIZCTEOSA-N -1 3 287.334 3.358 20 0 CGADHM Cc1cc(C(=O)N(C)Cc2cccc3[nH]ccc32)ccc1[O-] ZINC000427955823 236354729 /nfs/dbraw/zinc/35/47/29/236354729.db2.gz BPMOUMHMJSLSOU-UHFFFAOYSA-N -1 3 294.354 3.454 20 0 CGADHM CC1(C)CN(C(=O)c2ccccc2[O-])[C@@H]2CCC[C@@H]21 ZINC000294756506 199169300 /nfs/dbraw/zinc/16/93/00/199169300.db2.gz MZAXKVMLSNFSTP-QWHCGFSZSA-N -1 3 259.349 3.043 20 0 CGADHM CC1(C(=O)Nc2cc(Cl)ccc2[O-])CCC(=O)CC1 ZINC000336197397 213016069 /nfs/dbraw/zinc/01/60/69/213016069.db2.gz CDBQCBLTDIFAJZ-UHFFFAOYSA-N -1 3 281.739 3.134 20 0 CGADHM C[C@@H](O)C[C@H]1CCCCCN1Cc1c(F)ccc([O-])c1F ZINC000294816490 199195493 /nfs/dbraw/zinc/19/54/93/199195493.db2.gz XEPGRCTXMAWRIU-VXGBXAGGSA-N -1 3 299.361 3.186 20 0 CGADHM Cc1ccccc1[C@H]1C[C@H](NC(=O)c2c([O-])cccc2O)C1 ZINC000436498612 237114627 /nfs/dbraw/zinc/11/46/27/237114627.db2.gz WWRDGSOGRPNSDB-JOCQHMNTSA-N -1 3 297.354 3.082 20 0 CGADHM COc1cc(-c2noc(-c3sccc3F)n2)ccc1[O-] ZINC000436521316 237118429 /nfs/dbraw/zinc/11/84/29/237118429.db2.gz LNMSXIIJIXJYCA-UHFFFAOYSA-N -1 3 292.291 3.318 20 0 CGADHM C[C@H]1OCC[C@H]1c1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000436614497 237145687 /nfs/dbraw/zinc/14/56/87/237145687.db2.gz YHUTVOZTEUPISQ-GHMZBOCLSA-N -1 3 296.326 3.488 20 0 CGADHM O=C(N[C@H](c1ccccc1)C1CCC1)c1ccc(O)cc1[O-] ZINC000436661995 237153415 /nfs/dbraw/zinc/15/34/15/237153415.db2.gz AIEVMHBZNWCBSB-QGZVFWFLSA-N -1 3 297.354 3.369 20 0 CGADHM Cc1ncsc1CNC(=O)c1ccc(C(C)C)cc1[O-] ZINC000436562080 237126873 /nfs/dbraw/zinc/12/68/73/237126873.db2.gz JLSWOEWBSLNCEB-UHFFFAOYSA-N -1 3 290.388 3.211 20 0 CGADHM CN(C)[C@@H](c1nc(-c2ccc([O-])cc2)no1)c1ccccc1 ZINC000436567717 237132242 /nfs/dbraw/zinc/13/22/42/237132242.db2.gz UHESPFREZBMGHI-OAHLLOKOSA-N -1 3 295.342 3.093 20 0 CGADHM Cc1ccc(CC[C@@H](C)NC(=O)c2cccc(C)c2[O-])o1 ZINC000436591138 237137841 /nfs/dbraw/zinc/13/78/41/237137841.db2.gz PITFEAPGRDTZLN-GFCCVEGCSA-N -1 3 287.359 3.353 20 0 CGADHM Cc1ccccc1CC(C)(C)NC(=O)c1ccc(O)cc1[O-] ZINC000436707224 237160983 /nfs/dbraw/zinc/16/09/83/237160983.db2.gz XDVWVUDQSFGFIB-UHFFFAOYSA-N -1 3 299.370 3.157 20 0 CGADHM Cc1ccc([O-])c(C(=O)NCCO[C@H]2CCCC[C@H]2C)c1 ZINC000436733856 237171084 /nfs/dbraw/zinc/17/10/84/237171084.db2.gz YFVXJNHHTQMQIU-CJNGLKHVSA-N -1 3 291.391 3.026 20 0 CGADHM Cc1ccc(C(=O)Nc2ccc(-n3cccn3)cc2)c([O-])c1 ZINC000436759638 237174242 /nfs/dbraw/zinc/17/42/42/237174242.db2.gz CZWZCLRLOHPTBL-UHFFFAOYSA-N -1 3 293.326 3.139 20 0 CGADHM Cc1ccc(C(=O)NCc2c(F)cccc2Cl)c([O-])c1 ZINC000436906423 237208353 /nfs/dbraw/zinc/20/83/53/237208353.db2.gz QGOXWHXOVVRNNF-UHFFFAOYSA-N -1 3 293.725 3.423 20 0 CGADHM Cc1cc(C(=O)NC[C@H](C)c2ccc(F)cc2)ccc1[O-] ZINC000436930581 237213849 /nfs/dbraw/zinc/21/38/49/237213849.db2.gz YHEBXLFKBLFQFY-LBPRGKRZSA-N -1 3 287.334 3.373 20 0 CGADHM Cc1ccc(C(=O)NC[C@H]2CCC(F)(F)C2)c([O-])c1C ZINC000437003370 237230104 /nfs/dbraw/zinc/23/01/04/237230104.db2.gz SWIGRHZZHKPXAO-NSHDSACASA-N -1 3 283.318 3.174 20 0 CGADHM C[C@@H]1CCc2nc(NC(=O)c3cccc([O-])c3)sc2C1 ZINC000341663684 216055968 /nfs/dbraw/zinc/05/59/68/216055968.db2.gz YHZBCVKZQKSJIP-SECBINFHSA-N -1 3 288.372 3.226 20 0 CGADHM CCOc1cc(CN2CCCO[C@@H](C)C2)cc(Cl)c1[O-] ZINC000297652457 200253249 /nfs/dbraw/zinc/25/32/49/200253249.db2.gz JAIHCUAVJSRMSQ-NSHDSACASA-N -1 3 299.798 3.055 20 0 CGADHM Cc1cccc(C(=O)N([C@@H](C)C(C)C)C2CC2)c1[O-] ZINC000298310265 200391064 /nfs/dbraw/zinc/39/10/64/200391064.db2.gz OONPWGMHLNNMEC-LBPRGKRZSA-N -1 3 261.365 3.350 20 0 CGADHM Cc1cc(CCCC(=O)Nc2ncccc2[O-])c(C)s1 ZINC000341896883 216143804 /nfs/dbraw/zinc/14/38/04/216143804.db2.gz BIXGMTISOZEUKB-UHFFFAOYSA-N -1 3 290.388 3.427 20 0 CGADHM Cc1cc2cc(C(=O)Nc3ncccc3[O-])oc2cc1C ZINC000341899044 216144613 /nfs/dbraw/zinc/14/46/13/216144613.db2.gz HLXGUJACWDCNPZ-UHFFFAOYSA-N -1 3 282.299 3.403 20 0 CGADHM CCc1cccc(C(=O)N(C(C)C)C2CCC2)c1[O-] ZINC000537639677 376189512 /nfs/dbraw/zinc/18/95/12/376189512.db2.gz DBHINZIABWOYTQ-UHFFFAOYSA-N -1 3 261.365 3.358 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)N(C)Cc2ccccc2Cl)n1 ZINC000177913352 189079260 /nfs/dbraw/zinc/07/92/60/189079260.db2.gz PQWWBOMPWVDFFM-LLVKDONJSA-N -1 3 291.782 3.337 20 0 CGADHM O=C(C[C@H]1CCCc2ccccc21)[N-]OCc1cccnc1 ZINC000178679982 189137375 /nfs/dbraw/zinc/13/73/75/189137375.db2.gz ZUALMZXWPAOQRH-MRXNPFEDSA-N -1 3 296.370 3.140 20 0 CGADHM [O-]c1ccc(F)c(CN2CCc3ccc(F)cc3C2)c1F ZINC000438848293 238212157 /nfs/dbraw/zinc/21/21/57/238212157.db2.gz HLQXRCCEZFLDIF-UHFFFAOYSA-N -1 3 293.288 3.368 20 0 CGADHM CCC[C@H]1CCCCN1C(=O)c1cccc(OC)c1[O-] ZINC000179512420 189198802 /nfs/dbraw/zinc/19/88/02/189198802.db2.gz WGVWMYAZYHHVPM-LBPRGKRZSA-N -1 3 277.364 3.196 20 0 CGADHM CN(CCCCNC(=O)c1cccc([O-])c1)c1ccccc1 ZINC000182168574 189316454 /nfs/dbraw/zinc/31/64/54/189316454.db2.gz UWSLMSCHMMYQIP-UHFFFAOYSA-N -1 3 298.386 3.039 20 0 CGADHM Cc1nc(C)c([C@@H](C)N(C)C(=O)c2cccc([O-])c2)s1 ZINC000182396360 189322149 /nfs/dbraw/zinc/32/21/49/189322149.db2.gz MNOLGKOGRARAIJ-SNVBAGLBSA-N -1 3 290.388 3.299 20 0 CGADHM C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)c1cccc([O-])c1 ZINC000182452847 189323923 /nfs/dbraw/zinc/32/39/23/189323923.db2.gz PISZQQFZOWEMGP-CZUORRHYSA-N -1 3 281.355 3.410 20 0 CGADHM C[C@H]([N-]C(=O)C(C)(Cl)Cl)c1cccc(F)c1F ZINC000182320697 189319787 /nfs/dbraw/zinc/31/97/87/189319787.db2.gz DNKSWCKJKWILQT-LURJTMIESA-N -1 3 282.117 3.336 20 0 CGADHM CCO[N-]C(=O)Nc1cc(Cl)c(C)c(Cl)c1 ZINC000182959428 189341421 /nfs/dbraw/zinc/34/14/21/189341421.db2.gz HSOCVJPSYLVKPE-UHFFFAOYSA-N -1 3 263.124 3.375 20 0 CGADHM O=C(c1cccc([O-])c1)N(Cc1ccc(O)cc1)CC1CC1 ZINC000182836296 189336637 /nfs/dbraw/zinc/33/66/37/189336637.db2.gz BVVMTKXLGKMHID-UHFFFAOYSA-N -1 3 297.354 3.150 20 0 CGADHM C[C@H]1c2ccccc2CCN1C(=O)c1ccccc1[O-] ZINC000171506638 291317942 /nfs/dbraw/zinc/31/79/42/291317942.db2.gz WUIQMYPJGLQHHX-LBPRGKRZSA-N -1 3 267.328 3.152 20 0 CGADHM C[C@H]1c2ccsc2CCN1C(=O)c1cccc([O-])c1 ZINC000048775259 291325871 /nfs/dbraw/zinc/32/58/71/291325871.db2.gz KZNMEEWXRPLGFO-JTQLQIEISA-N -1 3 273.357 3.213 20 0 CGADHM CCC1([N-]S(=O)(=O)c2cc(C)c(F)cc2Cl)CC1 ZINC000451690923 240344257 /nfs/dbraw/zinc/34/42/57/240344257.db2.gz PTXRWGOGOLQQTN-UHFFFAOYSA-N -1 3 291.775 3.008 20 0 CGADHM CCC1([N-]S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000451715094 240347529 /nfs/dbraw/zinc/34/75/29/240347529.db2.gz STJLUJAPGLNLQQ-UHFFFAOYSA-N -1 3 294.203 3.214 20 0 CGADHM CC(C)[C@@H]1CN(C(=O)c2ccccc2[O-])[C@@H]1C(C)C ZINC000456275020 241388499 /nfs/dbraw/zinc/38/84/99/241388499.db2.gz ALPULWIVJTYVDN-DZGCQCFKSA-N -1 3 261.365 3.145 20 0 CGADHM O=c1cc(CN2CCC3(CCCC3)CC2)nc(C2CC2)[n-]1 ZINC000459347313 242083486 /nfs/dbraw/zinc/08/34/86/242083486.db2.gz VCMQGZMWQLWVFF-UHFFFAOYSA-N -1 3 287.407 3.216 20 0 CGADHM [O-]c1cccc(CN[C@H]2C=CCCC2)c1Br ZINC000459439212 242110725 /nfs/dbraw/zinc/11/07/25/242110725.db2.gz VVCYNJLVOKDABE-NSHDSACASA-N -1 3 282.181 3.353 20 0 CGADHM CCOc1cc(CN[C@@H](C)c2ccon2)cc(Cl)c1[O-] ZINC000459477821 242120613 /nfs/dbraw/zinc/12/06/13/242120613.db2.gz GDUJXVQPXVSPRJ-VIFPVBQESA-N -1 3 296.754 3.283 20 0 CGADHM [O-]c1cc(F)cc(CN2CC(COc3ccccc3)C2)c1 ZINC000459637508 242157651 /nfs/dbraw/zinc/15/76/51/242157651.db2.gz XMAAAUKPPCGGGL-UHFFFAOYSA-N -1 3 287.334 3.042 20 0 CGADHM Cc1ccc([O-])c(CN2CCc3cccc(Cl)c3C2)n1 ZINC000459703950 242187789 /nfs/dbraw/zinc/18/77/89/242187789.db2.gz LUQYOKQVIHZMRZ-UHFFFAOYSA-N -1 3 288.778 3.307 20 0 CGADHM CC[C@@H](C)C[C@H](C)[N-]S(=O)(=O)c1cc(C)ccc1F ZINC000462707599 242358047 /nfs/dbraw/zinc/35/80/47/242358047.db2.gz VOEWOOOARBIMIS-PWSUYJOCSA-N -1 3 287.400 3.237 20 0 CGADHM CCc1cc(=O)[n-]c(CN(C)Cc2cc3ccccc3o2)n1 ZINC000121638172 370881920 /nfs/dbraw/zinc/88/19/20/370881920.db2.gz RRQQFCOKSFGLMS-UHFFFAOYSA-N -1 3 297.358 3.123 20 0 CGADHM [O-]c1ccc(F)c(CN(CC2CC2)C2CCC2)c1F ZINC000353283337 220007823 /nfs/dbraw/zinc/00/78/23/220007823.db2.gz PQYODERLEXVKHP-UHFFFAOYSA-N -1 3 267.319 3.435 20 0 CGADHM C[C@H]1CC[C@H](C[N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000481247654 243183854 /nfs/dbraw/zinc/18/38/54/243183854.db2.gz UECFHSBBNFGPRI-IUCAKERBSA-N -1 3 293.841 3.116 20 0 CGADHM C[C@H](c1ccccc1Cl)N1CCC[C@@H](C(=O)[O-])C1 ZINC000003750324 368520088 /nfs/dbraw/zinc/52/00/88/368520088.db2.gz ATRCVRPLNXNHJD-GHMZBOCLSA-N -1 3 267.756 3.198 20 0 CGADHM C[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000013939372 368669751 /nfs/dbraw/zinc/66/97/51/368669751.db2.gz KJMUSVXKIAKWNV-IUCAKERBSA-N -1 3 293.841 3.259 20 0 CGADHM CCOc1ccccc1NC(=O)c1cccc([O-])c1 ZINC000019838126 368769909 /nfs/dbraw/zinc/76/99/09/368769909.db2.gz UUSKWZCQJQVLBW-UHFFFAOYSA-N -1 3 257.289 3.043 20 0 CGADHM COc1cccc(C(=O)Nc2cccc(Cl)c2)c1[O-] ZINC000019839493 368771358 /nfs/dbraw/zinc/77/13/58/368771358.db2.gz ZWTDEBXEPBYIGR-UHFFFAOYSA-N -1 3 277.707 3.307 20 0 CGADHM C[C@H](NC(=O)c1ccccc1[O-])c1ccc(F)c(F)c1 ZINC000023548078 368821684 /nfs/dbraw/zinc/82/16/84/368821684.db2.gz BNSXVLXYCGFSEO-VIFPVBQESA-N -1 3 277.270 3.161 20 0 CGADHM Cc1cc(C(=O)N(C)Cc2ccc(F)cc2C)ccc1[O-] ZINC000490342014 243732397 /nfs/dbraw/zinc/73/23/97/243732397.db2.gz IYSQUFMLHJZVBX-UHFFFAOYSA-N -1 3 287.334 3.420 20 0 CGADHM O=C(/C=C\SCc1ccco1)[N-]OCCC(F)(F)F ZINC000492685981 244007224 /nfs/dbraw/zinc/00/72/24/244007224.db2.gz BCSZTBUYGGIFSD-CLTKARDFSA-N -1 3 295.282 3.027 20 0 CGADHM Cc1cncc(/C=C\C(=O)Nc2c(C)cccc2[O-])c1 ZINC000492809190 244028489 /nfs/dbraw/zinc/02/84/89/244028489.db2.gz PCECNKMHNQODMV-SREVYHEPSA-N -1 3 268.316 3.056 20 0 CGADHM Cc1ccc(/C=C/C(=O)[N-]O[C@@H](C)c2ccccc2)nc1 ZINC000493466186 244169242 /nfs/dbraw/zinc/16/92/42/244169242.db2.gz NBNDDGNXMCVBTF-VNDWYCCKSA-N -1 3 282.343 3.212 20 0 CGADHM O=C(/C=C/c1cccc(C(F)(F)F)c1)[N-]OC1CCC1 ZINC000493555548 244185351 /nfs/dbraw/zinc/18/53/51/244185351.db2.gz NSQGSXRSQQKEDR-BQYQJAHWSA-N -1 3 285.265 3.319 20 0 CGADHM Cc1oc(CN(C)[C@@H](C)CC(C)C)cc1C(=O)[O-] ZINC000042585528 369225187 /nfs/dbraw/zinc/22/51/87/369225187.db2.gz OKSZOGPNGQDLNG-JTQLQIEISA-N -1 3 253.342 3.153 20 0 CGADHM O=C(/C=C\c1nc2ccccc2s1)[N-]OC/C=C/Cl ZINC000493818366 244236650 /nfs/dbraw/zinc/23/66/50/244236650.db2.gz SQCRPBVJPUEZFM-OHRKGSQHSA-N -1 3 294.763 3.110 20 0 CGADHM CCc1cc(=O)[n-]c(CN(C)C/C(C)=C/c2ccccc2)n1 ZINC000494292664 244279496 /nfs/dbraw/zinc/27/94/96/244279496.db2.gz IFZQBDYGROWJFW-GXDHUFHOSA-N -1 3 297.402 3.280 20 0 CGADHM Cc1cc([C@@H](C)NC(=O)c2cccc([O-])c2)c(C)o1 ZINC000044731476 369269636 /nfs/dbraw/zinc/26/96/36/369269636.db2.gz ZTQCNLKNLMRACX-SNVBAGLBSA-N -1 3 259.305 3.093 20 0 CGADHM COc1ccc([O-])c(C(=O)NCCC2CCCCC2)c1 ZINC000047846447 369328662 /nfs/dbraw/zinc/32/86/62/369328662.db2.gz QEDRKLIWQZGKLN-UHFFFAOYSA-N -1 3 277.364 3.101 20 0 CGADHM O=C([O-])CC[C@H]1CCCCN1Cc1cccc(F)c1F ZINC000050925926 369444704 /nfs/dbraw/zinc/44/47/04/369444704.db2.gz VKQGJECACVQVIC-GFCCVEGCSA-N -1 3 283.318 3.184 20 0 CGADHM Cc1cc(C)cc(CN[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000050510327 369440171 /nfs/dbraw/zinc/44/01/71/369440171.db2.gz JKUNLPHZOVXMGV-MRXNPFEDSA-N -1 3 269.344 3.219 20 0 CGADHM O=C(NCc1cccc2ccccc21)c1cccc([O-])c1 ZINC000052063400 369463147 /nfs/dbraw/zinc/46/31/47/369463147.db2.gz UUEYQNDIDBAHBZ-UHFFFAOYSA-N -1 3 277.323 3.475 20 0 CGADHM C[C@H]1CCC[C@H](CNC(=O)c2c[n-]c3ccccc3c2=O)C1 ZINC000055487049 369519315 /nfs/dbraw/zinc/51/93/15/369519315.db2.gz FTDJZKLZDNABRU-STQMWFEESA-N -1 3 298.386 3.084 20 0 CGADHM O=C(Nc1cc(F)c(F)cc1F)c1cccc([O-])c1 ZINC000061094611 369595941 /nfs/dbraw/zinc/59/59/41/369595941.db2.gz QTUSNRZAZYJRGV-UHFFFAOYSA-N -1 3 267.206 3.062 20 0 CGADHM C[C@@H]1CCC[C@@H](CCNC(=O)c2cccc([O-])c2)C1 ZINC000070540685 369803503 /nfs/dbraw/zinc/80/35/03/369803503.db2.gz PNNVNUFIIZKRGW-OLZOCXBDSA-N -1 3 261.365 3.338 20 0 CGADHM O=C([N-]c1ccccc1F)c1nc2cccnc2s1 ZINC000075912656 369920985 /nfs/dbraw/zinc/92/09/85/369920985.db2.gz MMHARQIRSYILOT-UHFFFAOYSA-N -1 3 273.292 3.083 20 0 CGADHM Cc1ccc(NC(=O)Cc2c(F)cccc2F)c([O-])c1 ZINC000088239523 370032571 /nfs/dbraw/zinc/03/25/71/370032571.db2.gz WEZCTBVIZKUYOY-UHFFFAOYSA-N -1 3 277.270 3.160 20 0 CGADHM CC(C)c1cccc([N-]S(=O)(=O)C[C@H]2CCCCO2)c1 ZINC000110096764 370369447 /nfs/dbraw/zinc/36/94/47/370369447.db2.gz DJBFELDMAIPEQL-OAHLLOKOSA-N -1 3 297.420 3.121 20 0 CGADHM C[C@@H]1CCCC[C@H]1CC[N-]S(=O)(=O)c1cccs1 ZINC000512141838 245020117 /nfs/dbraw/zinc/02/01/17/245020117.db2.gz CPDCFPYIPYYCOR-NEPJUHHUSA-N -1 3 287.450 3.243 20 0 CGADHM C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)c1ccccc1[O-] ZINC000115143550 370524077 /nfs/dbraw/zinc/52/40/77/370524077.db2.gz ZFIZRCKKIWATAF-DZGCQCFKSA-N -1 3 281.355 3.410 20 0 CGADHM CCNc1nc(C(=O)[N-]c2c(C)noc2C2CC2)cs1 ZINC000119032820 370637841 /nfs/dbraw/zinc/63/78/41/370637841.db2.gz RLZQUWYYKBYYRD-UHFFFAOYSA-N -1 3 292.364 3.001 20 0 CGADHM Cc1cccc(C(=O)N2C[C@H](C)CCC[C@@H]2C)c1[O-] ZINC000134049130 371298807 /nfs/dbraw/zinc/29/88/07/371298807.db2.gz YQGJVWMEGJIOHF-YPMHNXCESA-N -1 3 261.365 3.351 20 0 CGADHM CCOc1ccc(NC(=O)c2cccc([O-])c2)cc1F ZINC000136113239 371461559 /nfs/dbraw/zinc/46/15/59/371461559.db2.gz MWNRBLGVUYONPR-UHFFFAOYSA-N -1 3 275.279 3.182 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])[C@@]12C[C@@H]1CCC2 ZINC000421785929 371632812 /nfs/dbraw/zinc/63/28/12/371632812.db2.gz OSEQJDWNYYRXNY-SDBXPKJASA-N -1 3 251.713 3.174 20 0 CGADHM CC(C)(C)c1ccc(C(=O)Nc2ccc([O-])cc2F)nc1 ZINC000421798709 371635866 /nfs/dbraw/zinc/63/58/66/371635866.db2.gz CAFFLDRIKVDAED-UHFFFAOYSA-N -1 3 288.322 3.476 20 0 CGADHM Cc1ccc(NC(=O)[C@@H](C)Sc2ccccn2)c([O-])c1 ZINC000152584182 371707439 /nfs/dbraw/zinc/70/74/39/371707439.db2.gz HPKDUQNOEXSNHC-LLVKDONJSA-N -1 3 288.372 3.215 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)N1CC[C@@H](C2CCCC2)C1 ZINC000421948861 371711772 /nfs/dbraw/zinc/71/17/72/371711772.db2.gz LSWNKPVMMVHHKD-CQSZACIVSA-N -1 3 291.366 3.113 20 0 CGADHM CCCCOc1ccc(NC([O-])=NOC/C=C/Cl)cn1 ZINC000289658386 371783967 /nfs/dbraw/zinc/78/39/67/371783967.db2.gz INYPRCUWZCRLIR-QPJJXVBHSA-N -1 3 299.758 3.066 20 0 CGADHM CCCCOc1ccc(NC(=O)[N-]OC/C=C/Cl)cn1 ZINC000289658386 371783971 /nfs/dbraw/zinc/78/39/71/371783971.db2.gz INYPRCUWZCRLIR-QPJJXVBHSA-N -1 3 299.758 3.066 20 0 CGADHM CCOCc1cccc(NC([O-])=NOC/C=C/Cl)c1 ZINC000289967355 371864779 /nfs/dbraw/zinc/86/47/79/371864779.db2.gz YQYMPONBSRDABY-QPJJXVBHSA-N -1 3 284.743 3.029 20 0 CGADHM CCOCc1cccc(NC(=O)[N-]OC/C=C/Cl)c1 ZINC000289967355 371864782 /nfs/dbraw/zinc/86/47/82/371864782.db2.gz YQYMPONBSRDABY-QPJJXVBHSA-N -1 3 284.743 3.029 20 0 CGADHM Cc1ccc(CN[C@H](CC(=O)[O-])c2cccs2)cc1 ZINC000037087870 541860936 /nfs/dbraw/zinc/86/09/36/541860936.db2.gz JXMYRBJPYJOWOP-CYBMUJFWSA-N -1 3 275.373 3.362 20 0 CGADHM CCc1ccc(-c2nc([C@@](C)(CC)OC)no2)c([O-])c1 ZINC000290478737 371998977 /nfs/dbraw/zinc/99/89/77/371998977.db2.gz NQNITNYJQBYCSI-OAHLLOKOSA-N -1 3 276.336 3.276 20 0 CGADHM COc1ccccc1S[C@H](C)c1nc(C)cc(=O)[n-]1 ZINC000155943861 371954883 /nfs/dbraw/zinc/95/48/83/371954883.db2.gz AHJLLWWKPZVTMQ-SNVBAGLBSA-N -1 3 276.361 3.353 20 0 CGADHM CCOC1CC(CCNCc2cccc([O-])c2Cl)C1 ZINC000292937244 372253884 /nfs/dbraw/zinc/25/38/84/372253884.db2.gz BUFFVKYQYDXFCK-UHFFFAOYSA-N -1 3 283.799 3.340 20 0 CGADHM [O-]c1cccc(CNC[C@@H]2COc3ccccc32)c1Cl ZINC000292968368 372263512 /nfs/dbraw/zinc/26/35/12/372263512.db2.gz MCLPAXFQEHACEI-GFCCVEGCSA-N -1 3 289.762 3.311 20 0 CGADHM O=C(C[C@H]1C=CCCC1)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000429068417 372311362 /nfs/dbraw/zinc/31/13/62/372311362.db2.gz LZFOBJBIIDLUJR-ZDUSSCGKSA-N -1 3 281.359 3.184 20 0 CGADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCC[C@H]2CCC[C@@H]21 ZINC000266204886 296183473 /nfs/dbraw/zinc/18/34/73/296183473.db2.gz IDUJKGPEGJISAO-WBMJQRKESA-N -1 3 296.370 3.345 20 0 CGADHM [O-]c1ccccc1-c1nc([C@H]2CCCCS2)no1 ZINC000161651784 372344367 /nfs/dbraw/zinc/34/43/67/372344367.db2.gz IDYZLGQCSIDFFM-LLVKDONJSA-N -1 3 262.334 3.400 20 0 CGADHM COc1cccc(-c2nc(CC3CCCC3)no2)c1[O-] ZINC000293304088 372350429 /nfs/dbraw/zinc/35/04/29/372350429.db2.gz JPLCURZXMMQLCA-UHFFFAOYSA-N -1 3 274.320 3.184 20 0 CGADHM C[C@@]1(NCc2cccc([O-])c2Cl)CCO[C@@H]1C1CC1 ZINC000293384883 372371497 /nfs/dbraw/zinc/37/14/97/372371497.db2.gz WMILPGQOJJLREA-HUUCEWRRSA-N -1 3 281.783 3.093 20 0 CGADHM Cc1nc(C)c(CNCc2c(F)ccc([O-])c2F)s1 ZINC000293497552 372395299 /nfs/dbraw/zinc/39/52/99/372395299.db2.gz BHOHWTHPXLDBGW-UHFFFAOYSA-N -1 3 284.331 3.034 20 0 CGADHM C[C@](O)(CNCc1cccc([O-])c1Cl)c1ccsc1 ZINC000293503583 372398369 /nfs/dbraw/zinc/39/83/69/372398369.db2.gz HPOFMPPCAXEKPX-AWEZNQCLSA-N -1 3 297.807 3.104 20 0 CGADHM Cc1ccc(Cl)c(NC([O-])=NO[C@H]2CCCCO2)c1 ZINC000162912743 372433278 /nfs/dbraw/zinc/43/32/78/372433278.db2.gz VIEIRCSWFHPWKI-LBPRGKRZSA-N -1 3 284.743 3.228 20 0 CGADHM Cc1ccc(Cl)c(NC(=O)[N-]O[C@H]2CCCCO2)c1 ZINC000162912743 372433285 /nfs/dbraw/zinc/43/32/85/372433285.db2.gz VIEIRCSWFHPWKI-LBPRGKRZSA-N -1 3 284.743 3.228 20 0 CGADHM C[C@H](CN(C)Cc1c(F)ccc([O-])c1F)c1nccs1 ZINC000293724174 372461744 /nfs/dbraw/zinc/46/17/44/372461744.db2.gz VVZYBBAQWUUDBJ-SECBINFHSA-N -1 3 298.358 3.362 20 0 CGADHM Cc1cccc2c(=O)c(C(=O)N3CCC4(CCC4)C3)c[n-]c12 ZINC000164818667 372534386 /nfs/dbraw/zinc/53/43/86/372534386.db2.gz CPUDNWRYTILTTN-UHFFFAOYSA-N -1 3 296.370 3.265 20 0 CGADHM CCCCOCCCNCc1cccc([O-])c1Cl ZINC000294185669 372607347 /nfs/dbraw/zinc/60/73/47/372607347.db2.gz QSIIYWHZDUEXOQ-UHFFFAOYSA-N -1 3 271.788 3.342 20 0 CGADHM [O-]c1ccc(F)c(CNC[C@H]2CC=CCC2)c1F ZINC000294302776 372644584 /nfs/dbraw/zinc/64/45/84/372644584.db2.gz PZWKINGLYRGZEX-JTQLQIEISA-N -1 3 253.292 3.116 20 0 CGADHM CC[C@@H](C)NC(=O)CCc1ccc2ccccc2c1[O-] ZINC000294310716 372646137 /nfs/dbraw/zinc/64/61/37/372646137.db2.gz YFRGVNGXHDJFNP-GFCCVEGCSA-N -1 3 271.360 3.393 20 0 CGADHM C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)NCc1ccc([O-])c(F)c1 ZINC000435760957 372804839 /nfs/dbraw/zinc/80/48/39/372804839.db2.gz OZULUNVUAWITDA-GOPGUHFVSA-N -1 3 299.345 3.197 20 0 CGADHM Cc1cccc(C(=O)Nc2ncccc2C(C)C)c1[O-] ZINC000436507904 372835659 /nfs/dbraw/zinc/83/56/59/372835659.db2.gz HNVFNHQELHTWEL-UHFFFAOYSA-N -1 3 270.332 3.471 20 0 CGADHM CC[C@@H]1C[C@H]1NC(=O)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000438104923 372883252 /nfs/dbraw/zinc/88/32/52/372883252.db2.gz OTRHZQYZRFCJDL-VXNVDRBHSA-N -1 3 295.795 3.320 20 0 CGADHM Cc1cccc(C(=O)N2CCCCC(C)(C)C2)c1[O-] ZINC000438493269 372963865 /nfs/dbraw/zinc/96/38/65/372963865.db2.gz VATYRQQYPCRNRQ-UHFFFAOYSA-N -1 3 261.365 3.353 20 0 CGADHM C[C@@H]1COCC[C@@H]1c1noc(/C=C/c2cccc([O-])c2)n1 ZINC000442686147 373064964 /nfs/dbraw/zinc/06/49/64/373064964.db2.gz USLYJJFNXSEHNQ-RPHDQRHUSA-N -1 3 286.331 3.086 20 0 CGADHM CN(C(=O)c1c[n-]nc1-c1ccccc1)c1ccc(F)cc1 ZINC000173659401 373172383 /nfs/dbraw/zinc/17/23/83/373172383.db2.gz YXBSURKOZJSOQD-UHFFFAOYSA-N -1 3 295.317 3.492 20 0 CGADHM COc1cccc(C)c1NC(=O)c1cc(-c2ccco2)[n-]n1 ZINC000444456477 373190833 /nfs/dbraw/zinc/19/08/33/373190833.db2.gz DRORVNNARUZHOT-UHFFFAOYSA-N -1 3 297.314 3.239 20 0 CGADHM COc1cccc(C)c1NC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000444456477 373190836 /nfs/dbraw/zinc/19/08/36/373190836.db2.gz DRORVNNARUZHOT-UHFFFAOYSA-N -1 3 297.314 3.239 20 0 CGADHM CSCc1ccc(NC([O-])=NOC(C)C)cc1 ZINC000296628122 373199081 /nfs/dbraw/zinc/19/90/81/373199081.db2.gz YQGUWTQOTMVNDU-UHFFFAOYSA-N -1 3 254.355 3.011 20 0 CGADHM CSCc1ccc(NC(=O)[N-]OC(C)C)cc1 ZINC000296628122 373199085 /nfs/dbraw/zinc/19/90/85/373199085.db2.gz YQGUWTQOTMVNDU-UHFFFAOYSA-N -1 3 254.355 3.011 20 0 CGADHM CC(F)(F)c1cccc(NC(=O)c2c([O-])cccc2O)c1 ZINC000444833955 373279757 /nfs/dbraw/zinc/27/97/57/373279757.db2.gz GCDHIPLZGOMFOB-UHFFFAOYSA-N -1 3 293.269 3.462 20 0 CGADHM O=C(c1ccc(O)cc1[O-])N1CCC[C@@H]1c1ccsc1 ZINC000298762604 373403208 /nfs/dbraw/zinc/40/32/08/373403208.db2.gz RPKQNGOFHKMVHR-CYBMUJFWSA-N -1 3 289.356 3.137 20 0 CGADHM C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)c1ccc(O)cc1[O-] ZINC000175740437 373511672 /nfs/dbraw/zinc/51/16/72/373511672.db2.gz JJYHXWSNWJYXSZ-IUODEOHRSA-N -1 3 297.354 3.116 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)CC[C@H]2CCOC2)c1[O-] ZINC000176160182 373561714 /nfs/dbraw/zinc/56/17/14/373561714.db2.gz HCLWGXSLVDIKNX-JTQLQIEISA-N -1 3 283.755 3.109 20 0 CGADHM Cc1ccoc1C(=O)N=c1cc(C2(C)CCCC2)o[n-]1 ZINC000448416683 373577830 /nfs/dbraw/zinc/57/78/30/373577830.db2.gz WHWCFBQMUGIJLN-UHFFFAOYSA-N -1 3 274.320 3.082 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)NCCC1=CCCCC1 ZINC000448590581 373615622 /nfs/dbraw/zinc/61/56/22/373615622.db2.gz RPADQZXESBHQKK-UHFFFAOYSA-N -1 3 277.339 3.081 20 0 CGADHM CC(C)c1noc([N-][C@H]2CCc3ccc(F)cc32)n1 ZINC000301328453 373747212 /nfs/dbraw/zinc/74/72/12/373747212.db2.gz JJTSDPNNUXCEMW-LBPRGKRZSA-N -1 3 261.300 3.432 20 0 CGADHM Cc1cccc([O-])c1NC(=O)c1cc(-c2cccnc2)on1 ZINC000179542641 373883844 /nfs/dbraw/zinc/88/38/44/373883844.db2.gz RSJPBIALOGXRHR-UHFFFAOYSA-N -1 3 295.298 3.003 20 0 CGADHM Cc1cccc([O-])c1NC(=O)[C@H](C)Sc1ccccn1 ZINC000179566905 373887667 /nfs/dbraw/zinc/88/76/67/373887667.db2.gz BHZZQISAAJOIBO-NSHDSACASA-N -1 3 288.372 3.215 20 0 CGADHM Cc1cc(C)n([C@H](C)C(=O)Nc2ccc(Cl)cc2[O-])n1 ZINC000179639128 373897657 /nfs/dbraw/zinc/89/76/57/373897657.db2.gz VUEPXBNGNSUECZ-SNVBAGLBSA-N -1 3 293.754 3.059 20 0 CGADHM CC(C)(CNCc1cccc([O-])c1Cl)C1(O)CCCC1 ZINC000449739029 373866964 /nfs/dbraw/zinc/86/69/64/373866964.db2.gz IAUPRIPJBAYLEJ-UHFFFAOYSA-N -1 3 297.826 3.467 20 0 CGADHM COC[C@@H]1CCCN(Cc2cccc([O-])c2Cl)CC1 ZINC000449772508 373902105 /nfs/dbraw/zinc/90/21/05/373902105.db2.gz HFQZTXOVBOHZAG-GFCCVEGCSA-N -1 3 283.799 3.294 20 0 CGADHM Cc1ccc(C(=O)N2C[C@H](C)[C@H]3CCCC[C@@H]32)c([O-])c1 ZINC000180531135 374018232 /nfs/dbraw/zinc/01/82/32/374018232.db2.gz HWJFMHYKYAUXKY-GUTXKFCHSA-N -1 3 273.376 3.351 20 0 CGADHM Cc1ccc(C(=O)NCCc2cc3ccccc3o2)c([O-])c1 ZINC000303911295 374031934 /nfs/dbraw/zinc/03/19/34/374031934.db2.gz XCZCINCPNKDTFA-UHFFFAOYSA-N -1 3 295.338 3.419 20 0 CGADHM O=C(Nc1cccc2ccc(O)cc21)c1c([O-])cccc1O ZINC000180838404 374050087 /nfs/dbraw/zinc/05/00/87/374050087.db2.gz KYDIOVXYTCIUAH-UHFFFAOYSA-N -1 3 295.294 3.209 20 0 CGADHM CC(=O)c1[n-]c(=N[C@@H]2CCO[C@H](CC(C)C)C2)sc1C ZINC000450426606 374120299 /nfs/dbraw/zinc/12/02/99/374120299.db2.gz QOABXSVSKPJKEV-CHWSQXEVSA-N -1 3 296.436 3.082 20 0 CGADHM Cc1cccc(S(=O)(=O)[N-][C@@H](C)c2ccccc2)c1F ZINC000181169455 374089188 /nfs/dbraw/zinc/08/91/88/374089188.db2.gz VDQMGBGQXJSHJK-LBPRGKRZSA-N -1 3 293.363 3.174 20 0 CGADHM Cc1nc2ccc(NC(=O)c3cccc([O-])c3)cc2o1 ZINC000181844487 374180990 /nfs/dbraw/zinc/18/09/90/374180990.db2.gz HHLGNCGQRBPAFP-UHFFFAOYSA-N -1 3 268.272 3.094 20 0 CGADHM O=C(NC1(c2ccccc2)CCC1)c1cccc([O-])c1 ZINC000181860475 374183725 /nfs/dbraw/zinc/18/37/25/374183725.db2.gz IYYHKTDKCWHNAV-UHFFFAOYSA-N -1 3 267.328 3.201 20 0 CGADHM C[C@@H](CNCc1cccc(Cl)c1Cl)CC(=O)[O-] ZINC000310467323 374216222 /nfs/dbraw/zinc/21/62/22/374216222.db2.gz AHEUHCJAFUQZAI-MRVPVSSYSA-N -1 3 276.163 3.194 20 0 CGADHM Cc1o[n-]c(=NC(=O)c2ccc(C(C)(C)C)cc2)c1C ZINC000452148579 374250814 /nfs/dbraw/zinc/25/08/14/374250814.db2.gz FHCSVJRFDLBWHZ-UHFFFAOYSA-N -1 3 272.348 3.263 20 0 CGADHM CC[C@@H]1CC[C@H](C)N(C(=O)c2cc(C)ccc2[O-])C1 ZINC000311389708 374239711 /nfs/dbraw/zinc/23/97/11/374239711.db2.gz XXFIJGDKMJGZMQ-QWHCGFSZSA-N -1 3 261.365 3.351 20 0 CGADHM O=C(Cc1ccc(O)cc1Cl)Nc1cccc([O-])c1F ZINC000182949921 374348746 /nfs/dbraw/zinc/34/87/46/374348746.db2.gz CBPYDSUWOPKNPL-UHFFFAOYSA-N -1 3 295.697 3.072 20 0 CGADHM CCCCS[C@@H](C)C(=O)Nc1ccc([O-])cc1F ZINC000183274808 374394933 /nfs/dbraw/zinc/39/49/33/374394933.db2.gz QLNFNTMHFQRYSE-VIFPVBQESA-N -1 3 271.357 3.392 20 0 CGADHM C[C@@H]1C[C@H]1c1ccc(CN2CCC(C)(C(=O)[O-])CC2)o1 ZINC000086776664 541940503 /nfs/dbraw/zinc/94/05/03/541940503.db2.gz BHYCAMXCKVMTNG-DGCLKSJQSA-N -1 3 277.364 3.090 20 0 CGADHM Cc1cc(C[S@](=O)c2cccc([O-])c2)c(C)s1 ZINC000184068055 374487991 /nfs/dbraw/zinc/48/79/91/374487991.db2.gz JOALAEUCBKUOQW-KRWDZBQOSA-N -1 3 266.387 3.378 20 0 CGADHM Cc1cc(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])nc(C)n1 ZINC000331250401 374518718 /nfs/dbraw/zinc/51/87/18/374518718.db2.gz YWBUSYHQLYOBMA-UHFFFAOYSA-N -1 3 299.374 3.349 20 0 CGADHM Cc1cccc([O-])c1NC(=O)c1ccnc(C2CC2)c1 ZINC000334214743 206203215 /nfs/dbraw/zinc/20/32/15/206203215.db2.gz SXDDFDWQYKRAHE-UHFFFAOYSA-N -1 3 268.316 3.225 20 0 CGADHM [O-]c1cccc(CN2CCC[C@H](n3cccn3)C2)c1Cl ZINC000334452116 374762442 /nfs/dbraw/zinc/76/24/42/374762442.db2.gz XOWMYDPEFJGIFF-ZDUSSCGKSA-N -1 3 291.782 3.079 20 0 CGADHM O=C(NC[C@H]1CCC(F)(F)C1)c1cc([O-])ccc1Cl ZINC000334451245 374762687 /nfs/dbraw/zinc/76/26/87/374762687.db2.gz VETDSPAUXMFZNG-QMMMGPOBSA-N -1 3 289.709 3.211 20 0 CGADHM C[C@@H]1CC[C@@H](C(=O)[O-])CN1Cc1cc2cc(F)ccc2o1 ZINC000334587844 374887575 /nfs/dbraw/zinc/88/75/75/374887575.db2.gz QEVNMYXGZWAXRI-GHMZBOCLSA-N -1 3 291.322 3.257 20 0 CGADHM O=c1nc(C2CC2)[n-]c2sc(C(F)(F)F)cc21 ZINC000334598507 374893776 /nfs/dbraw/zinc/89/37/76/374893776.db2.gz PLSCNKKWACVWGZ-UHFFFAOYSA-N -1 3 260.240 3.293 20 0 CGADHM C[C@H](c1cccnc1)N(C)Cc1cc([O-])cc(F)c1 ZINC000186416209 374846908 /nfs/dbraw/zinc/84/69/08/374846908.db2.gz XIOLHUFSVPDCKE-LLVKDONJSA-N -1 3 260.312 3.119 20 0 CGADHM CCc1[n-][nH]c(=NC(=O)[C@@H](C)c2cccc(Cl)c2)c1C ZINC000465429469 374947193 /nfs/dbraw/zinc/94/71/93/374947193.db2.gz NYPBIMLYXVOGFD-VIFPVBQESA-N -1 3 291.782 3.098 20 0 CGADHM CC[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000465499337 374954520 /nfs/dbraw/zinc/95/45/20/374954520.db2.gz DAENMSOUIVXGCX-RKDXNWHRSA-N -1 3 293.841 3.259 20 0 CGADHM CSCc1ccc(NC(=O)c2cccc3nn[n-]c32)cc1 ZINC000187711838 375079916 /nfs/dbraw/zinc/07/99/16/375079916.db2.gz JXJNHXKLVJWAMQ-UHFFFAOYSA-N -1 3 298.371 3.073 20 0 CGADHM CSCc1ccc(NC(=O)c2cccc3[n-]nnc32)cc1 ZINC000187711838 375079925 /nfs/dbraw/zinc/07/99/25/375079925.db2.gz JXJNHXKLVJWAMQ-UHFFFAOYSA-N -1 3 298.371 3.073 20 0 CGADHM CSCc1ccc(NC(=O)c2cccc3n[n-]nc32)cc1 ZINC000187711838 375079928 /nfs/dbraw/zinc/07/99/28/375079928.db2.gz JXJNHXKLVJWAMQ-UHFFFAOYSA-N -1 3 298.371 3.073 20 0 CGADHM Cc1cc(C)c2c(c1)CN(C(=O)c1ccccc1[O-])CC2 ZINC000187789631 375095693 /nfs/dbraw/zinc/09/56/93/375095693.db2.gz NVJKUDIHTWQOSL-UHFFFAOYSA-N -1 3 281.355 3.208 20 0 CGADHM COC(=O)c1cnc(S[C@H](C)c2ccc(F)cc2F)[n-]1 ZINC000187587987 375050535 /nfs/dbraw/zinc/05/05/35/375050535.db2.gz NLZLOFNKHAAAOK-SSDOTTSWSA-N -1 3 298.314 3.328 20 0 CGADHM COc1cc(C(=O)N2CCCC23CCCCC3)ccc1[O-] ZINC000334991307 375056901 /nfs/dbraw/zinc/05/69/01/375056901.db2.gz MTADRERAYITVCH-UHFFFAOYSA-N -1 3 289.375 3.340 20 0 CGADHM C[C@@H]1C[C@@H](C)[C@H](C)N(C(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000473830689 375062444 /nfs/dbraw/zinc/06/24/44/375062444.db2.gz QHPXYSYLZWZSEP-UTUOFQBUSA-N -1 3 294.370 3.107 20 0 CGADHM Cc1cc(S(=O)(=O)[N-][C@H]2C=CCCC2)sc1Cl ZINC000188098725 375157556 /nfs/dbraw/zinc/15/75/56/375157556.db2.gz DAHRTPVOOCUIFM-VIFPVBQESA-N -1 3 291.825 3.097 20 0 CGADHM O=C(NCC1CCC1)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000188211995 375177526 /nfs/dbraw/zinc/17/75/26/375177526.db2.gz HUVOPOZTFHCWMY-UHFFFAOYSA-N -1 3 295.795 3.322 20 0 CGADHM CCc1cccc(NC(=O)c2n[n-]nc2-c2ccccc2)c1 ZINC000188828969 375276265 /nfs/dbraw/zinc/27/62/65/375276265.db2.gz ZHQCLBFSXLOGGY-UHFFFAOYSA-N -1 3 292.342 3.286 20 0 CGADHM Cc1cc(Cl)cc(CN2CC[C@H](C)[C@H](C(=O)[O-])C2)c1 ZINC000335442091 375296958 /nfs/dbraw/zinc/29/69/58/375296958.db2.gz HVMSBWZYFBNSCD-SMDDNHRTSA-N -1 3 281.783 3.191 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])c1cc2sccc2[nH]1 ZINC000189355021 375373828 /nfs/dbraw/zinc/37/38/28/375373828.db2.gz DHVJWIODNOHNSH-UHFFFAOYSA-N -1 3 276.292 3.326 20 0 CGADHM C[C@@H](c1ccc(F)cc1F)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000263390745 296229265 /nfs/dbraw/zinc/22/92/65/296229265.db2.gz YPZNKECCVJHXPY-OUAUKWLOSA-N -1 3 283.318 3.068 20 0 CGADHM O=C(Nc1ccc([O-])cc1F)[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC000335959771 375572639 /nfs/dbraw/zinc/57/26/39/375572639.db2.gz DRXRQCYOUVRIEU-CHWSQXEVSA-N -1 3 289.281 3.413 20 0 CGADHM Cc1ccc(F)c(S(=O)(=O)[N-]C2(C)CCCCC2)c1 ZINC000497765298 375608914 /nfs/dbraw/zinc/60/89/14/375608914.db2.gz CTVXXCCWJFHSEP-UHFFFAOYSA-N -1 3 285.384 3.135 20 0 CGADHM NC(=O)[C@H]1CCC[C@@H](C(=O)Nc2cc(Cl)ccc2[O-])C1 ZINC000336044119 375642950 /nfs/dbraw/zinc/64/29/50/375642950.db2.gz KQUYLFSVYXKIIS-DTWKUNHWSA-N -1 3 296.754 3.326 20 0 CGADHM CO[C@@](C)(C(=O)Nc1ccccc1[O-])c1ccccc1F ZINC000191958632 375683898 /nfs/dbraw/zinc/68/38/98/375683898.db2.gz SYIIGMDSVFRYMG-MRXNPFEDSA-N -1 3 289.306 3.032 20 0 CGADHM Cc1cc(C(=O)N2CC[C@@H](C(F)(F)F)[C@@H]2C)ccc1[O-] ZINC000336157616 375734412 /nfs/dbraw/zinc/73/44/12/375734412.db2.gz QCXDOUIKCBKJJS-GXSJLCMTSA-N -1 3 287.281 3.114 20 0 CGADHM O=C(N[C@H]1C[C@H](c2ccccc2)C1)c1cccc([O-])c1 ZINC000336160484 375736303 /nfs/dbraw/zinc/73/63/03/375736303.db2.gz LRGGWTSNUPGXAU-SHTZXODSSA-N -1 3 267.328 3.068 20 0 CGADHM Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccoc2)c1C ZINC000336165960 375742657 /nfs/dbraw/zinc/74/26/57/375742657.db2.gz RTPQKZGPOZQQIJ-UHFFFAOYSA-N -1 3 285.752 3.351 20 0 CGADHM O=C(c1cccc([O-])c1)N1CCC[C@@H]1c1ccccc1 ZINC000193051916 375820539 /nfs/dbraw/zinc/82/05/39/375820539.db2.gz WQIBJTKIAPGTDR-MRXNPFEDSA-N -1 3 267.328 3.370 20 0 CGADHM O=S(=O)([N-][C@@H]1CC[C@H]2CCCC[C@H]2C1)c1cccs1 ZINC000514688779 375805720 /nfs/dbraw/zinc/80/57/20/375805720.db2.gz IPALZGIAJPBQDT-FRRDWIJNSA-N -1 3 299.461 3.385 20 0 CGADHM Cc1cc(C(=O)Nc2ccc(C)c(C(N)=O)c2)ccc1[O-] ZINC000336535416 375814353 /nfs/dbraw/zinc/81/43/53/375814353.db2.gz PKFDNPDPMZIHEE-UHFFFAOYSA-N -1 3 284.315 3.145 20 0 CGADHM Cc1ccc(NC(=O)C[C@@H](C)c2ccncc2)c([O-])c1 ZINC000129748548 542058629 /nfs/dbraw/zinc/05/86/29/542058629.db2.gz HBMNVODIOISTGD-GFCCVEGCSA-N -1 3 270.332 3.228 20 0 CGADHM CC(C)(C)C[C@H]1CCCN1C(=O)c1ccc(O)cc1[O-] ZINC000336588156 375854440 /nfs/dbraw/zinc/85/44/40/375854440.db2.gz YLGFUGBESFICRR-LLVKDONJSA-N -1 3 277.364 3.139 20 0 CGADHM COc1c(F)cc(F)cc1NC(=O)c1ccc([O-])c(C)c1 ZINC000336588348 375855720 /nfs/dbraw/zinc/85/57/20/375855720.db2.gz VICOCDCUQOLUQA-UHFFFAOYSA-N -1 3 293.269 3.240 20 0 CGADHM [O-]c1cccnc1CN1CCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000520459000 375857034 /nfs/dbraw/zinc/85/70/34/375857034.db2.gz KTDZPTTYLFKQNI-OAHLLOKOSA-N -1 3 294.358 3.001 20 0 CGADHM [O-]c1cccnc1CN[C@H](c1cccs1)C1CC1 ZINC000520658665 375869354 /nfs/dbraw/zinc/86/93/54/375869354.db2.gz CUUZUCAQQLWPOV-AWEZNQCLSA-N -1 3 260.362 3.090 20 0 CGADHM CC[C@H](CNCc1ccc(F)cc1Cl)CC(=O)[O-] ZINC000336793021 375941403 /nfs/dbraw/zinc/94/14/03/375941403.db2.gz VDCDCXAURSKDJD-VIFPVBQESA-N -1 3 273.735 3.070 20 0 CGADHM C[C@@H]1CCCC[C@@H]1CNC(=O)c1c[n-]c2ccccc2c1=O ZINC000194360178 375992325 /nfs/dbraw/zinc/99/23/25/375992325.db2.gz JOINNKQVGMGGDV-CHWSQXEVSA-N -1 3 298.386 3.084 20 0 CGADHM Cc1ccc(Oc2ccc(NC(=O)c3nc[n-]n3)cc2)cc1 ZINC000336855608 376013393 /nfs/dbraw/zinc/01/33/93/376013393.db2.gz XOHYTEFMGKLZBD-UHFFFAOYSA-N -1 3 294.314 3.158 20 0 CGADHM C[C@@H]1CCCC[C@@H]1CC(=O)N=c1cc(-c2cccnc2)[n-][nH]1 ZINC000534386660 375982807 /nfs/dbraw/zinc/98/28/07/375982807.db2.gz PDOFULKGFKZALC-CHWSQXEVSA-N -1 3 298.390 3.049 20 0 CGADHM Cc1cccnc1C(F)(F)C(=O)[N-][C@@H](C)c1cccs1 ZINC000195304137 376096327 /nfs/dbraw/zinc/09/63/27/376096327.db2.gz DGBYZYZSPPBHBF-JTQLQIEISA-N -1 3 296.342 3.421 20 0 CGADHM Cc1cc(C(=O)Nc2cc(C(C)(C)C)ccc2[O-])ncn1 ZINC000536230398 376083912 /nfs/dbraw/zinc/08/39/12/376083912.db2.gz BUTBJUCBKSUVAI-UHFFFAOYSA-N -1 3 285.347 3.040 20 0 CGADHM CCc1cccc2c1N(C(=O)c1cc(OC)ccc1[O-])CC2 ZINC000538741018 376267444 /nfs/dbraw/zinc/26/74/44/376267444.db2.gz PSANCSWQELOYFH-UHFFFAOYSA-N -1 3 297.354 3.166 20 0 CGADHM O=C(Cc1ccc(Cl)s1)Nc1cc(F)ccc1[O-] ZINC000338176592 376273332 /nfs/dbraw/zinc/27/33/32/376273332.db2.gz VPWRKEYKVFZDMS-UHFFFAOYSA-N -1 3 285.727 3.427 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCC[C@@H](C(C)C)C2)o1 ZINC000540204997 376366089 /nfs/dbraw/zinc/36/60/89/376366089.db2.gz KRTOEUUTZFRNIR-OLZOCXBDSA-N -1 3 285.409 3.081 20 0 CGADHM Cc1cc(C(=O)N2CCC[C@H]2C2CCCC2)ccc1[O-] ZINC000226717064 376370357 /nfs/dbraw/zinc/37/03/57/376370357.db2.gz YGBYCLKZXVTBQK-HNNXBMFYSA-N -1 3 273.376 3.495 20 0 CGADHM Cc1cc(C(=O)N(C)[C@@H]2CCC[C@H](C)C2)ccc1[O-] ZINC000227017579 376377042 /nfs/dbraw/zinc/37/70/42/376377042.db2.gz JICZGFHIDAMKHL-SMDDNHRTSA-N -1 3 261.365 3.351 20 0 CGADHM C[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccccc2F)CC1 ZINC000227307032 376388158 /nfs/dbraw/zinc/38/81/58/376388158.db2.gz KBEMXXIGSQFOTD-NWDGAFQWSA-N -1 3 285.384 3.073 20 0 CGADHM CC[C@H]1C[C@H](CC(=O)Nc2cccc([O-])c2F)CCO1 ZINC000541993617 376502353 /nfs/dbraw/zinc/50/23/53/376502353.db2.gz MOPKGSSGGSCQOA-MNOVXSKESA-N -1 3 281.327 3.065 20 0 CGADHM CN(C[C@H]1CC=CCC1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000542412381 376540228 /nfs/dbraw/zinc/54/02/28/376540228.db2.gz FYFWZFLNWMYZJP-LBPRGKRZSA-N -1 3 292.354 3.029 20 0 CGADHM CC(C)(C)[C@H]1CCN(C(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000542414176 376541170 /nfs/dbraw/zinc/54/11/70/376541170.db2.gz USNPGCCRKQYGTH-LBPRGKRZSA-N -1 3 294.370 3.109 20 0 CGADHM CC(C)(NC(=O)c1cccc([O-])c1)c1cccs1 ZINC000334318790 206361321 /nfs/dbraw/zinc/36/13/21/206361321.db2.gz SRDFMRNLYYHQEW-UHFFFAOYSA-N -1 3 261.346 3.119 20 0 CGADHM CN(Cc1ccc(F)cc1)C(=O)c1cc([O-])ccc1Cl ZINC000234282110 376614948 /nfs/dbraw/zinc/61/49/48/376614948.db2.gz ZYYYURQPBCINQV-UHFFFAOYSA-N -1 3 293.725 3.457 20 0 CGADHM C[C@@H](CC(F)(F)F)NC(=O)c1cc([O-])ccc1Cl ZINC000235138495 376632484 /nfs/dbraw/zinc/63/24/84/376632484.db2.gz WFUQZSZXWBEJBO-LURJTMIESA-N -1 3 281.661 3.116 20 0 CGADHM C[C@H]1CCC[C@@H](NC(=O)c2cc([O-])ccc2Cl)C1 ZINC000235688671 376649472 /nfs/dbraw/zinc/64/94/72/376649472.db2.gz DDIMRXHEZFHYRA-VHSXEESVSA-N -1 3 267.756 3.354 20 0 CGADHM Cc1cnc(NC(=O)c2cc([O-])ccc2Cl)s1 ZINC000235920377 376655545 /nfs/dbraw/zinc/65/55/45/376655545.db2.gz DJBXBFXVXHPFKX-UHFFFAOYSA-N -1 3 268.725 3.063 20 0 CGADHM CC(C)COCCC(=O)Nc1ccc(Cl)cc1[O-] ZINC000153452837 542112414 /nfs/dbraw/zinc/11/24/14/542112414.db2.gz KXZQBORVCXCXMF-UHFFFAOYSA-N -1 3 271.744 3.047 20 0 CGADHM CCc1coc([N-]C(=O)c2cnc(-c3ccco3)s2)n1 ZINC000556806571 376883269 /nfs/dbraw/zinc/88/32/69/376883269.db2.gz ZMNGHZBHUMQNFW-UHFFFAOYSA-N -1 3 289.316 3.206 20 0 CGADHM Cc1ccc([O-])c(C(=O)N[C@@H]2CCCOc3ccccc32)c1 ZINC000339984510 376888262 /nfs/dbraw/zinc/88/82/62/376888262.db2.gz YFWTXHGZOKSECS-OAHLLOKOSA-N -1 3 297.354 3.344 20 0 CGADHM Cc1ccc(NC(=O)c2cc(-c3ccccn3)no2)c([O-])c1 ZINC000340033148 376895261 /nfs/dbraw/zinc/89/52/61/376895261.db2.gz IOFXJZISRNVXDK-UHFFFAOYSA-N -1 3 295.298 3.003 20 0 CGADHM CCc1cc(C(=O)N(C)Cc2ccccc2)ccc1[O-] ZINC000340768713 377249636 /nfs/dbraw/zinc/24/96/36/377249636.db2.gz JDCRESKDSOXHPY-UHFFFAOYSA-N -1 3 269.344 3.227 20 0 CGADHM CCc1cccc(C(=O)N2CC[C@@H](C)C(F)(F)C2)c1[O-] ZINC000562373086 377303884 /nfs/dbraw/zinc/30/38/84/377303884.db2.gz DQDCIKDIOZPIAJ-SNVBAGLBSA-N -1 3 283.318 3.072 20 0 CGADHM [O-]c1ccc(Cc2nc(CC3CCCC3)no2)cc1F ZINC000562791975 377362207 /nfs/dbraw/zinc/36/22/07/377362207.db2.gz LQHBFFCOFMDSEY-UHFFFAOYSA-N -1 3 276.311 3.238 20 0 CGADHM CCCCCOCc1nc(-c2ccc([O-])cc2)no1 ZINC000264960071 190147460 /nfs/dbraw/zinc/14/74/60/190147460.db2.gz CGPGPWYCKCRSEI-UHFFFAOYSA-N -1 3 262.309 3.149 20 0 CGADHM Cc1ccc2[n-]cc(C(=O)N(CC(C)C)C3CC3)c(=O)c2c1 ZINC000341101743 377396885 /nfs/dbraw/zinc/39/68/85/377396885.db2.gz MLBTUHZOJMQEOV-UHFFFAOYSA-N -1 3 298.386 3.097 20 0 CGADHM CC[C@@]1(C)CCCN(Cc2csc(C(=O)[O-])c2)C1 ZINC000563276853 377430623 /nfs/dbraw/zinc/43/06/23/377430623.db2.gz DYOXTKALAWFYKM-AWEZNQCLSA-N -1 3 267.394 3.458 20 0 CGADHM CC[C@]1(C)CCCN(Cc2cc(C(=O)[O-])c(C)o2)C1 ZINC000563277923 377431595 /nfs/dbraw/zinc/43/15/95/377431595.db2.gz PWIYJKPXEQLFHR-OAHLLOKOSA-N -1 3 265.353 3.298 20 0 CGADHM CC[C@H]1CC[C@H](C(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC000249457195 377506232 /nfs/dbraw/zinc/50/62/32/377506232.db2.gz DTAXVKDSBLWMHT-AULYBMBSSA-N -1 3 279.355 3.364 20 0 CGADHM [O-]c1cc2ccccc2cc1-c1nc([C@@H]2CCOC2)no1 ZINC000087810111 249024706 /nfs/dbraw/zinc/02/47/06/249024706.db2.gz ZNEPTXZAIJEQOH-GFCCVEGCSA-N -1 3 282.299 3.099 20 0 CGADHM O=C(Nc1ccc([O-])cc1Cl)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000249912977 377540599 /nfs/dbraw/zinc/54/05/99/377540599.db2.gz QBUFEMMXGCDDCD-IWIIMEHWSA-N -1 3 265.740 3.420 20 0 CGADHM O=C(N=c1cc2ccccn2[n-]1)c1ccc2ccccc2c1 ZINC000514785900 249188687 /nfs/dbraw/zinc/18/86/87/249188687.db2.gz WAXCTYFIRUCYIG-UHFFFAOYSA-N -1 3 287.322 3.162 20 0 CGADHM Cc1ccc([C@H]2CCCN2Cc2ncccc2[O-])cc1 ZINC000515093368 249202026 /nfs/dbraw/zinc/20/20/26/249202026.db2.gz JMQXMQIVYNQLKR-MRXNPFEDSA-N -1 3 268.360 3.433 20 0 CGADHM CCS[C@@H]1CC[C@@H](N(C)Cc2cc(C(=O)[O-])co2)C1 ZINC000516932130 249250085 /nfs/dbraw/zinc/25/00/85/249250085.db2.gz CJCPLLSRVBLHQZ-DGCLKSJQSA-N -1 3 283.393 3.084 20 0 CGADHM O=C(Nc1c([O-])cccc1Cl)C1(CCF)CC1 ZINC000515497728 249213546 /nfs/dbraw/zinc/21/35/46/249213546.db2.gz BWQODNHBRIRWPK-UHFFFAOYSA-N -1 3 257.692 3.124 20 0 CGADHM Cc1cc(C(=O)N(C)[C@@H]2CCc3ccccc32)ccc1[O-] ZINC000353899164 291679689 /nfs/dbraw/zinc/67/96/89/291679689.db2.gz HJBMXQYBPJHSJT-MRXNPFEDSA-N -1 3 281.355 3.460 20 0 CGADHM O=C(Nc1nnc(C2CC2)s1)c1cc([O-])ccc1Cl ZINC000574323279 377647349 /nfs/dbraw/zinc/64/73/49/377647349.db2.gz UAYHYERITVVGIZ-UHFFFAOYSA-N -1 3 295.751 3.027 20 0 CGADHM C[C@@H]1C[C@@H]1c1ccc(/C=C\C(=O)[N-]OCc2cccnc2)o1 ZINC000254991143 377720777 /nfs/dbraw/zinc/72/07/77/377720777.db2.gz COIBKPBVCAPCNT-BRDDXIKOSA-N -1 3 298.342 3.059 20 0 CGADHM CC(C)c1noc([N-][C@H](CCCO)c2ccccc2)n1 ZINC000265853423 190212928 /nfs/dbraw/zinc/21/29/28/190212928.db2.gz QKXNFRAJFCTOPP-CYBMUJFWSA-N -1 3 275.352 3.119 20 0 CGADHM Cc1cc(CN2CC[C@H](Cc3ccccc3)C2)oc1C(=O)[O-] ZINC000575065289 377745530 /nfs/dbraw/zinc/74/55/30/377745530.db2.gz DTHUVQMOJSJSJP-OAHLLOKOSA-N -1 3 299.370 3.351 20 0 CGADHM CCCN(CC(=O)[O-])Cc1cscc1C(F)(F)F ZINC000263390425 377930485 /nfs/dbraw/zinc/93/04/85/377930485.db2.gz FAXREGSVHBKVCQ-UHFFFAOYSA-N -1 3 281.299 3.064 20 0 CGADHM COc1cc(-c2ccccc2)ccc1CN(C)[C@H](C)C(=O)[O-] ZINC000263411568 377933285 /nfs/dbraw/zinc/93/32/85/377933285.db2.gz LNITWRDLZBEXPL-CYBMUJFWSA-N -1 3 299.370 3.267 20 0 CGADHM O=C([O-])[C@H]1CCCN(Cc2ccc(-c3ccccc3)o2)C1 ZINC000263415360 377934174 /nfs/dbraw/zinc/93/41/74/377934174.db2.gz MYVSOZXEBLXTPB-AWEZNQCLSA-N -1 3 285.343 3.243 20 0 CGADHM O=C([O-])CCCNCc1ccc(-c2c(F)cccc2F)o1 ZINC000263451562 377939129 /nfs/dbraw/zinc/93/91/29/377939129.db2.gz ZUTWGLILSDJOFL-UHFFFAOYSA-N -1 3 295.285 3.179 20 0 CGADHM C[C@H](CN(C)Cc1ccc(-c2ccccc2)o1)C(=O)[O-] ZINC000263463253 377939572 /nfs/dbraw/zinc/93/95/72/377939572.db2.gz CETUPXAVIGKRBF-GFCCVEGCSA-N -1 3 273.332 3.099 20 0 CGADHM CC(C)[C@@H](NCc1cc(C(F)(F)F)ccc1F)C(=O)[O-] ZINC000262713213 377906975 /nfs/dbraw/zinc/90/69/75/377906975.db2.gz QISANZQKPRAHFS-LLVKDONJSA-N -1 3 293.260 3.043 20 0 CGADHM CC1(CNC(=O)c2c[n-]nc2-c2ccccn2)CCCCC1 ZINC000578181884 378044545 /nfs/dbraw/zinc/04/45/45/378044545.db2.gz LTXRMCVQJGDIIV-UHFFFAOYSA-N -1 3 298.390 3.172 20 0 CGADHM CC1(C)[C@@H]2CN([C@H](C(=O)[O-])c3c(F)cccc3Cl)C[C@@H]21 ZINC000578514969 378077452 /nfs/dbraw/zinc/07/74/52/378077452.db2.gz FSIHCKVBTCALJY-RWEMILLDSA-N -1 3 297.757 3.193 20 0 CGADHM CC(C)[C@H]1CN(CCc2ccccc2C(=O)[O-])CCS1 ZINC000579720713 378186921 /nfs/dbraw/zinc/18/69/21/378186921.db2.gz RMJMLUPFTYMWJB-OAHLLOKOSA-N -1 3 293.432 3.001 20 0 CGADHM CC[C@@H](c1cccc(OC)c1)N(C)Cc1ncccc1[O-] ZINC000579647243 378179538 /nfs/dbraw/zinc/17/95/38/378179538.db2.gz IKLAPSYVKGWIEK-INIZCTEOSA-N -1 3 286.375 3.379 20 0 CGADHM CC(C)N(C(=O)CCCc1ccc([O-])c(F)c1)C1CC1 ZINC000345410943 378278577 /nfs/dbraw/zinc/27/85/77/378278577.db2.gz UGFFPFWSSBNSPV-UHFFFAOYSA-N -1 3 279.355 3.253 20 0 CGADHM Cc1oc([C@@H](C)N2CCCO[C@H](C(C)C)C2)cc1C(=O)[O-] ZINC000580330329 378241715 /nfs/dbraw/zinc/24/17/15/378241715.db2.gz GPWGFCAGHQMQSG-ABAIWWIYSA-N -1 3 295.379 3.094 20 0 CGADHM C[C@H]1CC[C@H](C(=O)Nc2cc(Cl)ccc2[O-])C1 ZINC000345567440 378312979 /nfs/dbraw/zinc/31/29/79/378312979.db2.gz BJWXFIBOJSLOMA-IUCAKERBSA-N -1 3 253.729 3.420 20 0 CGADHM CN(Cc1ccoc1C(=O)[O-])[C@H]1CCc2ccccc21 ZINC000583327388 378322647 /nfs/dbraw/zinc/32/26/47/378322647.db2.gz LYTWVBJAJAZBMK-AWEZNQCLSA-N -1 3 271.316 3.097 20 0 CGADHM CCc1cc(C(=O)N(C)c2ccc(F)cc2)ccc1[O-] ZINC000583475728 378324769 /nfs/dbraw/zinc/32/47/69/378324769.db2.gz SUHVGLCZQPAWLC-UHFFFAOYSA-N -1 3 273.307 3.370 20 0 CGADHM CC[C@@H]1CCN([C@H](C(=O)[O-])c2c(F)cccc2Cl)C1 ZINC000583817810 378349979 /nfs/dbraw/zinc/34/99/79/378349979.db2.gz BZMMKBUNDFYIOP-RNCFNFMXSA-N -1 3 285.746 3.337 20 0 CGADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@H]1CC=CCC1 ZINC000345965239 378424260 /nfs/dbraw/zinc/42/42/60/378424260.db2.gz JDHGDTGXTDKHIE-ZDUSSCGKSA-N -1 3 277.339 3.079 20 0 CGADHM Cc1ncc(NC(=O)CCCc2ccc([O-])c(F)c2)s1 ZINC000345973205 378425453 /nfs/dbraw/zinc/42/54/53/378425453.db2.gz WPIOYGXAIHSEKJ-UHFFFAOYSA-N -1 3 294.351 3.258 20 0 CGADHM Cc1ccc([O-])c(NC(=O)Cc2c[nH]c3cccc(C)c23)n1 ZINC000345969189 378425787 /nfs/dbraw/zinc/42/57/87/378425787.db2.gz AZLLIIHUBZXSAI-UHFFFAOYSA-N -1 3 295.342 3.067 20 0 CGADHM Cc1ccc([O-])c(NC(=O)C(C)(C)c2cccc(F)c2)n1 ZINC000345979112 378427917 /nfs/dbraw/zinc/42/79/17/378427917.db2.gz IVADNRGOETWKMW-UHFFFAOYSA-N -1 3 288.322 3.151 20 0 CGADHM Cc1ccc([O-])c(NC(=O)CCc2ccc(Cl)cc2)n1 ZINC000345982777 378429264 /nfs/dbraw/zinc/42/92/64/378429264.db2.gz LPUVISQIEDXFLA-UHFFFAOYSA-N -1 3 290.750 3.320 20 0 CGADHM CN(CCCCc1ccccc1)C(=O)c1cccc([O-])c1 ZINC000272815811 378709933 /nfs/dbraw/zinc/70/99/33/378709933.db2.gz OAUMILZQAHWTME-UHFFFAOYSA-N -1 3 283.371 3.487 20 0 CGADHM COCc1ccc(C(=O)[N-]c2cc(F)cc(F)c2F)o1 ZINC000348136260 378808038 /nfs/dbraw/zinc/80/80/38/378808038.db2.gz PNNACKBVTDJMOW-UHFFFAOYSA-N -1 3 285.221 3.096 20 0 CGADHM COCC[C@H]([N-]c1nnc(C2CC2)o1)c1ccc(C)o1 ZINC000278526572 194028164 /nfs/dbraw/zinc/02/81/64/194028164.db2.gz ZOEDLIFFCWTRPS-NSHDSACASA-N -1 3 277.324 3.038 20 0 CGADHM Cc1cc(C(F)(F)F)ccc1CNCc1ncccc1[O-] ZINC000348428543 378952047 /nfs/dbraw/zinc/95/20/47/378952047.db2.gz YYCBBRWDYTZHMQ-UHFFFAOYSA-N -1 3 296.292 3.404 20 0 CGADHM [O-]c1ccc(Br)c(CN2CC(C3CCC3)C2)c1 ZINC000348701963 379021451 /nfs/dbraw/zinc/02/14/51/379021451.db2.gz DHUHDULQGAOXPQ-UHFFFAOYSA-N -1 3 296.208 3.387 20 0 CGADHM COC(=O)c1ccc(C(=O)Nc2ccc3occ(C)c3c2)[n-]1 ZINC000347256478 218171203 /nfs/dbraw/zinc/17/12/03/218171203.db2.gz STBIZQQDXHAGIX-UHFFFAOYSA-N -1 3 298.298 3.108 20 0 CGADHM CC(C)O[C@H](CNCc1ncccc1[O-])c1ccccc1 ZINC000639118864 379042003 /nfs/dbraw/zinc/04/20/03/379042003.db2.gz GOZAYKZNDAQYCY-QGZVFWFLSA-N -1 3 286.375 3.043 20 0 CGADHM CC[C@H](C)[C@H]1CCCCN1C(=O)c1ccc([O-])c(OC)c1 ZINC000276967665 379033799 /nfs/dbraw/zinc/03/37/99/379033799.db2.gz SVINFBQOBJPYGA-GXTWGEPZSA-N -1 3 291.391 3.442 20 0 CGADHM O=C([O-])C1(NCc2c(F)cccc2Cl)CCCCC1 ZINC000739514040 572418704 /nfs/dbraw/zinc/41/87/04/572418704.db2.gz OOWBPJWESTYBPO-UHFFFAOYSA-N -1 3 285.746 3.356 20 0 CGADHM COc1cc(C(=O)N[C@H]2CCC[C@@H](C)CC2)ccc1[O-] ZINC000277029068 379048582 /nfs/dbraw/zinc/04/85/82/379048582.db2.gz DMRKNXCDCILKKY-YPMHNXCESA-N -1 3 277.364 3.099 20 0 CGADHM Cc1ccc(CNCc2ccccc2CC(=O)[O-])cc1C ZINC000277051019 379053848 /nfs/dbraw/zinc/05/38/48/379053848.db2.gz SDIUJYOZWXIBAY-UHFFFAOYSA-N -1 3 283.371 3.220 20 0 CGADHM c1[n-][nH]c2ncnc(=N[C@H](CC3CCC3)c3ccccc3)c1-2 ZINC000349579707 379310499 /nfs/dbraw/zinc/31/04/99/379310499.db2.gz XNFWVOPQXSZJAF-OAHLLOKOSA-N -1 3 293.374 3.070 20 0 CGADHM CC(C)C[C@H]1CCN(C(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC000266704964 190276427 /nfs/dbraw/zinc/27/64/27/190276427.db2.gz QLYXERDSSLWKDH-CYBMUJFWSA-N -1 3 298.386 3.449 20 0 CGADHM [O-]c1cc(CN2Cc3cccnc3C2)cc(C(F)(F)F)c1 ZINC000639624652 379512263 /nfs/dbraw/zinc/51/22/63/379512263.db2.gz UNHYROUKEIWZFU-UHFFFAOYSA-N -1 3 294.276 3.322 20 0 CGADHM CO[C@@]1(C)CCCN(C(=O)c2ccc(C)c(C)c2[O-])CC1 ZINC000279961844 379563799 /nfs/dbraw/zinc/56/37/99/379563799.db2.gz JRXRXFPOIZWUII-KRWDZBQOSA-N -1 3 291.391 3.040 20 0 CGADHM CCc1ncc(-c2nc(-c3ccc([O-])cc3)no2)s1 ZINC000350590498 379569492 /nfs/dbraw/zinc/56/94/92/379569492.db2.gz WFDVRYDHTVDHJM-UHFFFAOYSA-N -1 3 273.317 3.128 20 0 CGADHM COc1ccc(OC)c([C@@H](C)[N-]c2nc(C(C)C)no2)c1 ZINC000267174411 190308908 /nfs/dbraw/zinc/30/89/08/190308908.db2.gz CWYAKNAAAKLOGD-SNVBAGLBSA-N -1 3 291.351 3.383 20 0 CGADHM O=C([N-][C@H]1C[C@H](c2ccccc2F)C1)C(F)(F)C(F)F ZINC000280607437 379745062 /nfs/dbraw/zinc/74/50/62/379745062.db2.gz FOLXULRVLLVRLQ-ZKCHVHJHSA-N -1 3 293.235 3.088 20 0 CGADHM C[C@H](CCCc1ccccc1)C(=O)NCc1ncccc1[O-] ZINC000352515672 379842118 /nfs/dbraw/zinc/84/21/18/379842118.db2.gz HOFHEVKDXYFOOB-CQSZACIVSA-N -1 3 298.386 3.062 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)C2CC3(CC3)C2)c1-c1cccc(F)c1 ZINC000640943170 379881229 /nfs/dbraw/zinc/88/12/29/379881229.db2.gz JATAXQXVUQWPFY-UHFFFAOYSA-N -1 3 299.349 3.075 20 0 CGADHM C[C@H]1CC[C@@H](C(=O)N2CCCc3cccc([O-])c32)C1 ZINC000352662819 379901308 /nfs/dbraw/zinc/90/13/08/379901308.db2.gz BNJMCYPZVQBSDC-WCQYABFASA-N -1 3 259.349 3.108 20 0 CGADHM CC[C@]1(C)CCN(Cc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000399293662 379939638 /nfs/dbraw/zinc/93/96/38/379939638.db2.gz IRYJOPPJBOISPU-OAHLLOKOSA-N -1 3 265.328 3.146 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])[C@H]1CCCSC1 ZINC000352946472 380051321 /nfs/dbraw/zinc/05/13/21/380051321.db2.gz WEEXAKIIBOJCCB-QMMMGPOBSA-N -1 3 271.769 3.127 20 0 CGADHM Cc1ccc2c(CN3CCC[C@H]3C(F)F)ccc([O-])c2n1 ZINC000353190662 380159790 /nfs/dbraw/zinc/15/97/90/380159790.db2.gz JDKWILDWQPWXBB-ZDUSSCGKSA-N -1 3 292.329 3.478 20 0 CGADHM C(=Cc1nc(-c2ccc3n[n-]nc3c2)no1)c1cccs1 ZINC000643895147 380392728 /nfs/dbraw/zinc/39/27/28/380392728.db2.gz PEECDGQUXDZFBB-GQCTYLIASA-N -1 3 295.327 3.240 20 0 CGADHM CCc1cc(C(=O)N(CC)Cc2ccoc2)ccc1[O-] ZINC000643970681 380404148 /nfs/dbraw/zinc/40/41/48/380404148.db2.gz ZBFBOHMKWWPYQB-UHFFFAOYSA-N -1 3 273.332 3.210 20 0 CGADHM CC(C)c1cnc(CNC[C@H](CC(=O)[O-])C(C)(C)C)s1 ZINC000417552548 380636104 /nfs/dbraw/zinc/63/61/04/380636104.db2.gz DLHFAVZJMLOAAC-NSHDSACASA-N -1 3 298.452 3.493 20 0 CGADHM CCCc1csc(CNC[C@H](CC(=O)[O-])C(C)(C)C)n1 ZINC000417557301 380637965 /nfs/dbraw/zinc/63/79/65/380637965.db2.gz RFGMENMGSVCBMO-NSHDSACASA-N -1 3 298.452 3.322 20 0 CGADHM CCCc1csc(CN[C@@H]2CCCC[C@@]2(C)C(=O)[O-])n1 ZINC000417576132 380643797 /nfs/dbraw/zinc/64/37/97/380643797.db2.gz JYSMDAGYDJXDGB-IUODEOHRSA-N -1 3 296.436 3.219 20 0 CGADHM C[C@@H](CNCc1cccc([O-])c1Cl)c1ccncc1 ZINC000645160909 380600535 /nfs/dbraw/zinc/60/05/35/380600535.db2.gz YZVPHQSYRKUTGH-NSHDSACASA-N -1 3 276.767 3.334 20 0 CGADHM Cc1cc(F)c(CNC[C@H]2CCC[C@H]2C(=O)[O-])c(Cl)c1 ZINC000417649920 380662458 /nfs/dbraw/zinc/66/24/58/380662458.db2.gz MDZHOWYOSYPPLV-GHMZBOCLSA-N -1 3 299.773 3.378 20 0 CGADHM CC[C@@H](CCNCc1c(F)cc(C)cc1Cl)C(=O)[O-] ZINC000417667825 380663498 /nfs/dbraw/zinc/66/34/98/380663498.db2.gz JFJYDNNRRWOKDX-JTQLQIEISA-N -1 3 287.762 3.378 20 0 CGADHM CC(C)(C)c1ccc(CN[C@H]2C=C[C@@H](C(=O)[O-])C2)s1 ZINC000417623268 380656352 /nfs/dbraw/zinc/65/63/52/380656352.db2.gz PKNOAJKFVGPIMW-MNOVXSKESA-N -1 3 279.405 3.165 20 0 CGADHM CCC[C@@H](CCCCNCc1ccc(C)o1)C(=O)[O-] ZINC000417638985 380660622 /nfs/dbraw/zinc/66/06/22/380660622.db2.gz LCSYFMPPLJEUDQ-ZDUSSCGKSA-N -1 3 267.369 3.349 20 0 CGADHM CCc1coc([N-]C(=O)c2ncoc2-c2ccccc2)n1 ZINC000646080560 380823801 /nfs/dbraw/zinc/82/38/01/380823801.db2.gz RQYKYSMAHGCHLH-UHFFFAOYSA-N -1 3 283.287 3.144 20 0 CGADHM CC(C)OC1CCN(Cc2cccc([O-])c2Cl)CC1 ZINC000646064806 380818583 /nfs/dbraw/zinc/81/85/83/380818583.db2.gz LSXBBVUJEPQOPJ-UHFFFAOYSA-N -1 3 283.799 3.435 20 0 CGADHM O=C(NCc1c(F)cccc1Cl)c1cccc([O-])c1 ZINC000357207075 381067186 /nfs/dbraw/zinc/06/71/86/381067186.db2.gz QYIPGSCSTLFZHF-UHFFFAOYSA-N -1 3 279.698 3.115 20 0 CGADHM CC(C)CC[C@H]1CCCN1C(=O)c1cccc([O-])c1 ZINC000357444045 381161161 /nfs/dbraw/zinc/16/11/61/381161161.db2.gz SRYZYBHQTMIXJD-CQSZACIVSA-N -1 3 261.365 3.433 20 0 CGADHM CCOc1cccc([C@H]2C[C@@H]2NC(=O)c2cccc([O-])c2)c1 ZINC000357470535 381171496 /nfs/dbraw/zinc/17/14/96/381171496.db2.gz DJXOBGRMRRVCIJ-SJORKVTESA-N -1 3 297.354 3.077 20 0 CGADHM CCO[C@H](CCN=c1[n-]cc(C(F)(F)F)s1)C(C)C ZINC000357687287 381251736 /nfs/dbraw/zinc/25/17/36/381251736.db2.gz VMUQQJADIJCZAF-SECBINFHSA-N -1 3 296.358 3.447 20 0 CGADHM CCN(Cc1cccc(F)c1)C(=O)c1cccc([O-])c1 ZINC000357651223 381238155 /nfs/dbraw/zinc/23/81/55/381238155.db2.gz RFZNQCDOGSTALP-UHFFFAOYSA-N -1 3 273.307 3.194 20 0 CGADHM Cc1ccc(NC(=O)[C@H](C)Oc2ccc(F)cc2)c([O-])c1 ZINC000198583760 542282668 /nfs/dbraw/zinc/28/26/68/542282668.db2.gz LNIQNDHSJFELMN-NSHDSACASA-N -1 3 289.306 3.246 20 0 CGADHM COC[C@H](C)[C@H](C)C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000360260354 381500054 /nfs/dbraw/zinc/50/00/54/381500054.db2.gz FUUJKFWWODQZCH-UWVGGRQHSA-N -1 3 285.771 3.211 20 0 CGADHM COc1ccc([O-])c(C(=O)N2CC[C@@]3(CC[C@H](C)C3)C2)c1 ZINC000360680570 381616259 /nfs/dbraw/zinc/61/62/59/381616259.db2.gz MHMLUQKTMDYSHI-YVEFUNNKSA-N -1 3 289.375 3.053 20 0 CGADHM CCN(C(=O)c1c[n-]c2c(C)cc(C)cc2c1=O)C1CCC1 ZINC000361468264 381758293 /nfs/dbraw/zinc/75/82/93/381758293.db2.gz FXHFKWNIQGCYIG-UHFFFAOYSA-N -1 3 298.386 3.160 20 0 CGADHM O=C(Nc1cc(Cl)ccn1)c1c[n-]nc1-c1ccccc1 ZINC000361654841 381862730 /nfs/dbraw/zinc/86/27/30/381862730.db2.gz KVZLRUCVGZOGCA-UHFFFAOYSA-N -1 3 298.733 3.377 20 0 CGADHM CCc1cc(C(=O)Nc2ccc3c(c2)ncn3C)ccc1[O-] ZINC000362869780 382135878 /nfs/dbraw/zinc/13/58/78/382135878.db2.gz WJDCOZNPNIDOBJ-UHFFFAOYSA-N -1 3 295.342 3.094 20 0 CGADHM CCc1cc(C(=O)NCC23CCC(CC2)C3)ccc1[O-] ZINC000362953960 382161948 /nfs/dbraw/zinc/16/19/48/382161948.db2.gz FECAJUKCCXVQTP-UHFFFAOYSA-N -1 3 273.376 3.265 20 0 CGADHM O=C(COCC1CCCC1)Nc1c([O-])cccc1Cl ZINC000573337428 322383185 /nfs/dbraw/zinc/38/31/85/322383185.db2.gz PXKPCLIATJFCFB-UHFFFAOYSA-N -1 3 283.755 3.191 20 0 CGADHM COc1ccccc1[C@@H](C)NC(=O)c1cccc(C)c1[O-] ZINC000436526649 532967889 /nfs/dbraw/zinc/96/78/89/532967889.db2.gz QWTRNAWZCKROKX-GFCCVEGCSA-N -1 3 285.343 3.200 20 0 CGADHM C[C@H]1CN(C(=O)CCc2ccc3ccccc3c2[O-])[C@H]1C ZINC000335400195 208373065 /nfs/dbraw/zinc/37/30/65/208373065.db2.gz QOQVZBWBEBDLRK-STQMWFEESA-N -1 3 283.371 3.345 20 0 CGADHM C[C@@H]1[C@@H](C)CN1C(=O)CCc1ccc2ccccc2c1[O-] ZINC000335400194 208373595 /nfs/dbraw/zinc/37/35/95/208373595.db2.gz QOQVZBWBEBDLRK-QWHCGFSZSA-N -1 3 283.371 3.345 20 0 CGADHM CC[C@@H]1CO[C@H](C)CN1C(=O)c1cc([O-])c2ccccc2c1 ZINC000280190808 542381423 /nfs/dbraw/zinc/38/14/23/542381423.db2.gz DJBUIKALVBAREZ-IUODEOHRSA-N -1 3 299.370 3.185 20 0 CGADHM CC[C@@H]1CN(C(=O)c2cc([O-])c3ccccc3c2)C[C@H](C)O1 ZINC000281018176 542383042 /nfs/dbraw/zinc/38/30/42/542383042.db2.gz VPJRVNCRXKAGPH-SWLSCSKDSA-N -1 3 299.370 3.185 20 0 CGADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1cccc(F)c1Cl ZINC000289128783 197241626 /nfs/dbraw/zinc/24/16/26/197241626.db2.gz OILOHVFKJMCKEN-SNVBAGLBSA-N -1 3 288.706 3.059 20 0 CGADHM O=C([N-]O[C@@H]1CCCCO1)Nc1cccc(F)c1Cl ZINC000289128783 197241628 /nfs/dbraw/zinc/24/16/28/197241628.db2.gz OILOHVFKJMCKEN-SNVBAGLBSA-N -1 3 288.706 3.059 20 0 CGADHM COC[C@H]([N-]c1nnc(C2CC2)o1)c1cccc(Cl)c1 ZINC000289088606 197232620 /nfs/dbraw/zinc/23/26/20/197232620.db2.gz OPKPIGNWQVGSSW-LBPRGKRZSA-N -1 3 293.754 3.400 20 0 CGADHM C[C@@H]1Oc2ccccc2[C@@H]1NCc1cc([O-])cc(F)c1 ZINC000288715507 197150484 /nfs/dbraw/zinc/15/04/84/197150484.db2.gz ZNQWQZZOXHAKOX-MGPLVRAMSA-N -1 3 273.307 3.143 20 0 CGADHM C[C@H]([N-]C(=O)C(C)(F)F)c1ccc(Br)cc1 ZINC000288446164 197080316 /nfs/dbraw/zinc/08/03/16/197080316.db2.gz CRFFGDHRESXUBW-ZETCQYMHSA-N -1 3 292.123 3.282 20 0 CGADHM CC(F)(F)CCNC(=O)c1cc([O-])c2ccccc2c1 ZINC000295419323 542406271 /nfs/dbraw/zinc/40/62/71/542406271.db2.gz CNSLPOHZURHUIC-UHFFFAOYSA-N -1 3 279.286 3.321 20 0 CGADHM CN(C(=O)c1cc([O-])c2ccccc2c1)[C@H]1CCSC1 ZINC000334603166 542458585 /nfs/dbraw/zinc/45/85/85/542458585.db2.gz AFCBNFIJHCKGQZ-ZDUSSCGKSA-N -1 3 287.384 3.123 20 0 CGADHM CC[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000533693641 288391539 /nfs/dbraw/zinc/39/15/39/288391539.db2.gz JTAQVYMDCBKGEN-RKDXNWHRSA-N -1 3 293.791 3.192 20 0 CGADHM O=C(c1cc([O-])c2ccccc2c1)N1CCC=C(F)C1 ZINC000336401632 542476825 /nfs/dbraw/zinc/47/68/25/542476825.db2.gz YHZRDPVQGBHKHG-UHFFFAOYSA-N -1 3 271.291 3.245 20 0 CGADHM C[C@H]1C[C@H](c2ccccc2)N(C(=O)c2csc(=O)[n-]2)C1 ZINC000336536724 542477599 /nfs/dbraw/zinc/47/75/99/542477599.db2.gz PGJBUMKMDZBHDA-GXFFZTMASA-N -1 3 288.372 3.072 20 0 CGADHM Cc1ccc(Cc2nc3ccc([O-])cc3c(=O)[nH]2)s1 ZINC000345186350 542506050 /nfs/dbraw/zinc/50/60/50/542506050.db2.gz FKPQGPMYTVKUGW-UHFFFAOYSA-N -1 3 272.329 3.002 20 0 CGADHM O=C(NCCc1ccco1)c1cc([O-])c2ccccc2c1 ZINC000351501014 542551356 /nfs/dbraw/zinc/55/13/56/542551356.db2.gz VOEYAXYSZGXACM-UHFFFAOYSA-N -1 3 281.311 3.111 20 0 CGADHM CC1(C)C[C@H]1CNC(=O)c1cc([O-])c2ccccc2c1 ZINC000354402889 542563041 /nfs/dbraw/zinc/56/30/41/542563041.db2.gz QSICUGVTKHKHAG-ZDUSSCGKSA-N -1 3 269.344 3.321 20 0 CGADHM C[C@H]1N(C(=O)c2cc([O-])c3ccccc3c2)CCOC1(C)C ZINC000354968369 542564784 /nfs/dbraw/zinc/56/47/84/542564784.db2.gz FVFQPPYHKAIPAR-GFCCVEGCSA-N -1 3 299.370 3.185 20 0 CGADHM O=C(Nc1nc(C2CC2)c[nH]1)c1cc([O-])c2ccccc2c1 ZINC000356506274 542571279 /nfs/dbraw/zinc/57/12/79/542571279.db2.gz YBZOKUFBVGULTN-UHFFFAOYSA-N -1 3 293.326 3.398 20 0 CGADHM O=c1ccnc(C=Cc2cc(Br)cs2)[n-]1 ZINC000742220803 572558883 /nfs/dbraw/zinc/55/88/83/572558883.db2.gz ULXNTXPKMQPPDD-OWOJBTEDSA-N -1 3 283.150 3.177 20 0 CGADHM CSCCCCNC(=O)c1ccc(C(C)C)cc1[O-] ZINC000436530173 533557054 /nfs/dbraw/zinc/55/70/54/533557054.db2.gz PVHGAGUVWPNRRD-UHFFFAOYSA-N -1 3 281.421 3.389 20 0 CGADHM Cc1ccc(C(=O)Nc2cnc(C(C)(C)C)nc2)c([O-])c1C ZINC000436832013 533618031 /nfs/dbraw/zinc/61/80/31/533618031.db2.gz QXQWSTSKLDHQBD-UHFFFAOYSA-N -1 3 299.374 3.349 20 0 CGADHM Cc1ccc(F)c(S(=O)(=O)[N-]C2CCCCCC2)c1 ZINC000032402247 391968373 /nfs/dbraw/zinc/96/83/73/391968373.db2.gz RDZJBPUBPDSJJW-UHFFFAOYSA-N -1 3 285.384 3.135 20 0 CGADHM O=C(Cc1ccccc1F)N1CCCc2cccc([O-])c21 ZINC000063063858 392135082 /nfs/dbraw/zinc/13/50/82/392135082.db2.gz RTKLLAQAZFLQDZ-UHFFFAOYSA-N -1 3 285.318 3.053 20 0 CGADHM CCCc1occc1C(=O)[N-]c1nc(SC)ns1 ZINC000281976867 392267021 /nfs/dbraw/zinc/26/70/21/392267021.db2.gz LQAPKGRKOZNTLY-UHFFFAOYSA-N -1 3 283.378 3.058 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCC[C@H](C(C)(C)C)C2)n1 ZINC000361547407 392282915 /nfs/dbraw/zinc/28/29/15/392282915.db2.gz FOTVFHGZVGXVQR-OLZOCXBDSA-N -1 3 277.412 3.310 20 0 CGADHM CC(=O)c1csc(C(=O)[N-]c2nnc(C(C)C)s2)c1 ZINC000106603930 392305446 /nfs/dbraw/zinc/30/54/46/392305446.db2.gz WESBLPPOSHWVSS-UHFFFAOYSA-N -1 3 295.389 3.178 20 0 CGADHM CC(C)Oc1ccc(CN[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000262718772 131254880 /nfs/dbraw/zinc/25/48/80/131254880.db2.gz UGFRVWMHCBBQCQ-KRWDZBQOSA-N -1 3 299.370 3.389 20 0 CGADHM O=C([O-])CCN(Cc1ccccc1Cl)CC1CC1 ZINC000263268464 131288359 /nfs/dbraw/zinc/28/83/59/131288359.db2.gz VYZMFDOXYFBASJ-UHFFFAOYSA-N -1 3 267.756 3.027 20 0 CGADHM CCCOc1ccc2c(c1)CCN(CCCCC(=O)[O-])C2 ZINC000263572021 131298671 /nfs/dbraw/zinc/29/86/71/131298671.db2.gz KHFKFGFAPOPTPJ-UHFFFAOYSA-N -1 3 291.391 3.088 20 0 CGADHM CCCN(CC(F)F)C(=O)c1ccc([O-])c(CC)c1 ZINC000291563663 392468230 /nfs/dbraw/zinc/46/82/30/392468230.db2.gz RWYMQJGBTPSHEA-UHFFFAOYSA-N -1 3 271.307 3.072 20 0 CGADHM Cc1c([N-]C(=O)COCC2CC2)onc1C1CCCCC1 ZINC000291522451 392462421 /nfs/dbraw/zinc/46/24/21/392462421.db2.gz ZMUWKMKZEBSBOV-UHFFFAOYSA-N -1 3 292.379 3.396 20 0 CGADHM CC[C@H](C)N(CC(=O)[O-])Cc1ccc(Cl)cc1F ZINC000162538947 392596717 /nfs/dbraw/zinc/59/67/17/392596717.db2.gz XTXPDKROBOIPKW-VIFPVBQESA-N -1 3 273.735 3.164 20 0 CGADHM O=C([O-])CCCCN1CCS[C@H](c2ccccc2)C1 ZINC000371679336 392545158 /nfs/dbraw/zinc/54/51/58/392545158.db2.gz DKJZANKZHKZKRW-AWEZNQCLSA-N -1 3 279.405 3.031 20 0 CGADHM CCC[C@@]1(C)CCCN(C(=O)c2cccc(OC)c2[O-])C1 ZINC000173243991 392624139 /nfs/dbraw/zinc/62/41/39/392624139.db2.gz XPWXMTGISSJNLK-KRWDZBQOSA-N -1 3 291.391 3.443 20 0 CGADHM CC[C@H]1C[C@@H](NC(=O)c2cc([O-])c3ccccc3c2)CCO1 ZINC000335070125 392769343 /nfs/dbraw/zinc/76/93/43/392769343.db2.gz UDGFUJDLTSLUQI-GJZGRUSLSA-N -1 3 299.370 3.233 20 0 CGADHM CC[C@H](C)[C@@H](C)C(=O)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000505799872 392699245 /nfs/dbraw/zinc/69/92/45/392699245.db2.gz XCCJYVCBNGLNQH-NWDGAFQWSA-N -1 3 271.364 3.119 20 0 CGADHM CC(C)Cn1nccc1C=Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000647602533 392770934 /nfs/dbraw/zinc/77/09/34/392770934.db2.gz KMKWCIBUWUHZMO-WAYWQWQTSA-N -1 3 284.363 3.083 20 0 CGADHM [O-]c1coc2cc(OC[C@H]3CCCCC3(F)F)ccc12 ZINC000382231239 392918325 /nfs/dbraw/zinc/91/83/25/392918325.db2.gz VIFOMZOIADGMTG-SNVBAGLBSA-N -1 3 282.286 3.466 20 0 CGADHM CCc1cc(CNC(=O)c2cc([O-])c3ccccc3c2)on1 ZINC000525935070 542740646 /nfs/dbraw/zinc/74/06/46/542740646.db2.gz TXWHYDTYZBMAFR-UHFFFAOYSA-N -1 3 296.326 3.026 20 0 CGADHM COc1ccc(NC(=O)C2(C)CCCCC2)c([O-])c1 ZINC000526953677 542741983 /nfs/dbraw/zinc/74/19/83/542741983.db2.gz BFFIIUWHRVATCY-UHFFFAOYSA-N -1 3 263.337 3.310 20 0 CGADHM COc1ccc(NC(=O)c2cc3ccccc3n2C)c([O-])c1 ZINC000526954162 542742002 /nfs/dbraw/zinc/74/20/02/542742002.db2.gz JHBPFJZMFCALNF-UHFFFAOYSA-N -1 3 296.326 3.145 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CC[C@@H](c3ccc(F)cc3)C2)c1 ZINC000268104685 393194744 /nfs/dbraw/zinc/19/47/44/393194744.db2.gz YBHQWENFWFOAAO-CQSZACIVSA-N -1 3 299.345 3.469 20 0 CGADHM CC(=O)c1cccc(NC(=O)c2c(C)oc(C)c2C)c1[O-] ZINC000648903973 393285913 /nfs/dbraw/zinc/28/59/13/393285913.db2.gz KKUVVKKWTOKGIR-UHFFFAOYSA-N -1 3 287.315 3.365 20 0 CGADHM Cc1ccc(C(=O)N2CCC[C@@H](c3ccccn3)C2)c([O-])c1 ZINC000646440501 393288224 /nfs/dbraw/zinc/28/82/24/393288224.db2.gz GGUAWBHQSZZKOI-CQSZACIVSA-N -1 3 296.370 3.115 20 0 CGADHM C[C@@H]1CCCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000646569432 393302619 /nfs/dbraw/zinc/30/26/19/393302619.db2.gz ZULJKXULHPSUPK-SECBINFHSA-N -1 3 287.281 3.283 20 0 CGADHM CC(C)(C[N-]S(=O)(=O)c1cccs1)C1=CCCC1 ZINC000416503675 393313120 /nfs/dbraw/zinc/31/31/20/393313120.db2.gz QRXMZLLNVRDSOQ-UHFFFAOYSA-N -1 3 285.434 3.163 20 0 CGADHM CCc1ccc2occ(C(=O)NCc3ncccc3[O-])c2c1 ZINC000355434749 393321387 /nfs/dbraw/zinc/32/13/87/393321387.db2.gz KLJKQQMBQQVTLH-UHFFFAOYSA-N -1 3 296.326 3.026 20 0 CGADHM CCCn1c(=O)[n-]nc1SC[C@H]1CCc2ccccc21 ZINC000355448540 393327002 /nfs/dbraw/zinc/32/70/02/393327002.db2.gz ODWLLLWYRAEOIN-GFCCVEGCSA-N -1 3 289.404 3.216 20 0 CGADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1CCC2(CCC2)C1 ZINC000646965813 393330661 /nfs/dbraw/zinc/33/06/61/393330661.db2.gz SWQHAVLMBLFQGE-UHFFFAOYSA-N -1 3 299.292 3.427 20 0 CGADHM CCc1nccn1[C@H](C)CC(=O)Nc1c(C)cccc1[O-] ZINC000648849604 393272890 /nfs/dbraw/zinc/27/28/90/393272890.db2.gz MGRUUCCNZQHXPN-GFCCVEGCSA-N -1 3 287.363 3.049 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)C1CCCCCC1 ZINC000649232080 393380605 /nfs/dbraw/zinc/38/06/05/393380605.db2.gz RDNHTAYYIUTJTG-UHFFFAOYSA-N -1 3 263.385 3.172 20 0 CGADHM CCOC1CC(CSCc2cc(=O)[n-]c(C3CC3)n2)C1 ZINC000419471877 393389083 /nfs/dbraw/zinc/38/90/83/393389083.db2.gz GHFNVQZPZQHKEA-UHFFFAOYSA-N -1 3 294.420 3.108 20 0 CGADHM C[C@@H]1CC[C@H](SCc2cc(=O)[n-]c(C3CC3)n2)C1 ZINC000419583596 393407593 /nfs/dbraw/zinc/40/75/93/393407593.db2.gz HMCNLXQMQZTTAL-SKDRFNHKSA-N -1 3 264.394 3.481 20 0 CGADHM c1nc(CSc2n[n-]c(-c3ccccn3)n2)c(C2CC2)o1 ZINC000356169811 393366033 /nfs/dbraw/zinc/36/60/33/393366033.db2.gz UOJKQPFQGYNUEY-UHFFFAOYSA-N -1 3 299.359 3.024 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@H](C)CC(C)(C)C ZINC000649229652 393377934 /nfs/dbraw/zinc/37/79/34/393377934.db2.gz HWCCFECHLYRIJF-SNVBAGLBSA-N -1 3 265.401 3.274 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)C1C[C@@H](C)C[C@H](C)C1 ZINC000649230534 393378008 /nfs/dbraw/zinc/37/80/08/393378008.db2.gz NTNGGBBAKGZJOI-QWRGUYRKSA-N -1 3 277.412 3.274 20 0 CGADHM O=C([O-])[C@H](NCc1cccc2c1CCC2)c1ccccc1 ZINC000649505328 393460173 /nfs/dbraw/zinc/46/01/73/393460173.db2.gz FGGIFZLGQPFNKD-QGZVFWFLSA-N -1 3 281.355 3.091 20 0 CGADHM Cc1cc(CNCc2cccc3c2CCC3)ccc1C(=O)[O-] ZINC000649507840 393461581 /nfs/dbraw/zinc/46/15/81/393461581.db2.gz CWSAOICDIMNPLQ-UHFFFAOYSA-N -1 3 295.382 3.472 20 0 CGADHM CC(C)(C)c1cnc(CNC[C@@H](CC2CC2)C(=O)[O-])s1 ZINC000649511136 393462905 /nfs/dbraw/zinc/46/29/05/393462905.db2.gz YLEPZUGUICDBOQ-LLVKDONJSA-N -1 3 296.436 3.031 20 0 CGADHM Cc1ccc2c(CN(C)Cc3cscn3)ccc([O-])c2n1 ZINC000429721849 393497990 /nfs/dbraw/zinc/49/79/90/393497990.db2.gz HUPRBTZAVTZNOL-UHFFFAOYSA-N -1 3 299.399 3.337 20 0 CGADHM [O-]c1ccc(F)c(CNc2ncccc2Cl)c1F ZINC000357698116 393514841 /nfs/dbraw/zinc/51/48/41/393514841.db2.gz ARBRFFVPTCQSOU-UHFFFAOYSA-N -1 3 270.666 3.331 20 0 CGADHM CC(F)(F)CC(=O)Nc1cc(Br)ccc1[O-] ZINC000430259560 393550419 /nfs/dbraw/zinc/55/04/19/393550419.db2.gz FIMLCKOOGZQKJM-UHFFFAOYSA-N -1 3 294.095 3.139 20 0 CGADHM CC(C)(C)c1ccc(NC(=O)[C@H]2CC23CC3)c([O-])c1 ZINC000421875705 393636952 /nfs/dbraw/zinc/63/69/52/393636952.db2.gz HIPBAZNTKUCOIJ-LLVKDONJSA-N -1 3 259.349 3.428 20 0 CGADHM COc1cc(C(=O)NCCC2=CCCCCC2)ccc1[O-] ZINC000443126457 393745050 /nfs/dbraw/zinc/74/50/50/393745050.db2.gz ZDJXPAYAQXLQSB-UHFFFAOYSA-N -1 3 289.375 3.411 20 0 CGADHM Cc1ccc(NC(=O)/C=C\c2ccc(O)cc2)c([O-])c1 ZINC000492522618 393748398 /nfs/dbraw/zinc/74/83/98/393748398.db2.gz PTSVQHSXMGEIQM-UITAMQMPSA-N -1 3 269.300 3.058 20 0 CGADHM O=C(/C=C/c1cccc2ccccc12)[N-]OCC(F)F ZINC000492563783 393754382 /nfs/dbraw/zinc/75/43/82/393754382.db2.gz NTSOPPFFLGMQLV-CMDGGOBGSA-N -1 3 277.270 3.166 20 0 CGADHM C/C=C/C=C\C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000492301044 393716360 /nfs/dbraw/zinc/71/63/60/393716360.db2.gz SRVJHLSBZQYZKR-IAROGAJJSA-N -1 3 271.238 3.482 20 0 CGADHM Cc1ccc(-c2nc(-c3ccncc3)no2)c([O-])c1C ZINC000436890010 393718172 /nfs/dbraw/zinc/71/81/72/393718172.db2.gz DCGHSETYAVXDPW-UHFFFAOYSA-N -1 3 267.288 3.121 20 0 CGADHM CC(C)c1ccc(C(=O)N2C[C@@H](C)O[C@H](C)[C@@H]2C)c([O-])c1 ZINC000438396182 393721935 /nfs/dbraw/zinc/72/19/35/393721935.db2.gz MWFNFDGUSCOMPI-FRRDWIJNSA-N -1 3 291.391 3.154 20 0 CGADHM CC(C)(C)c1ncc(/C=C\C(=O)[N-]OC2CCCC2)s1 ZINC000492385312 393726911 /nfs/dbraw/zinc/72/69/11/393726911.db2.gz IJIGZDROOVVMPR-HJWRWDBZSA-N -1 3 294.420 3.444 20 0 CGADHM Cc1cccc(C(=O)N2CCCC3(CCCC3)C2)c1[O-] ZINC000438685945 393729817 /nfs/dbraw/zinc/72/98/17/393729817.db2.gz JJAWHNYLJMLWDN-UHFFFAOYSA-N -1 3 273.376 3.497 20 0 CGADHM O=C(/C=C/c1ccc2ccccc2c1)[N-]OCC(F)F ZINC000492622726 393763949 /nfs/dbraw/zinc/76/39/49/393763949.db2.gz XVGITIXYEQKYBL-SOFGYWHQSA-N -1 3 277.270 3.166 20 0 CGADHM Cc1cc(/C=C\C(=O)[N-]OCC(F)F)ccc1OC(C)C ZINC000492627082 393765266 /nfs/dbraw/zinc/76/52/66/393765266.db2.gz ZZOVBNDVYBAFNU-ALCCZGGFSA-N -1 3 299.317 3.108 20 0 CGADHM CC(C)CC[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccco1 ZINC000445716332 393818675 /nfs/dbraw/zinc/81/86/75/393818675.db2.gz OZEDZMWWVSPXBL-CHWSQXEVSA-N -1 3 285.409 3.163 20 0 CGADHM Cc1cc(C(=O)Nc2ccc(Cl)cc2[O-])ccc1O ZINC000500326099 393824683 /nfs/dbraw/zinc/82/46/83/393824683.db2.gz QAZLHVGVEHRJBC-UHFFFAOYSA-N -1 3 277.707 3.312 20 0 CGADHM C[C@@H]1C[C@H](C)[C@H](C(=O)Nc2ccc(C(C)(C)C)cc2[O-])O1 ZINC000501978570 393865651 /nfs/dbraw/zinc/86/56/51/393865651.db2.gz QCVAUZPGSNUMEK-FIXISWKDSA-N -1 3 291.391 3.442 20 0 CGADHM COc1cc2nc(-c3cc([O-])cc(F)c3)[nH]c2cc1C ZINC000446155163 393851546 /nfs/dbraw/zinc/85/15/46/393851546.db2.gz ANBNXLJSPDOJCD-UHFFFAOYSA-N -1 3 272.279 3.392 20 0 CGADHM COc1cc2[nH]c(-c3cc([O-])cc(F)c3)nc2cc1C ZINC000446155163 393851549 /nfs/dbraw/zinc/85/15/49/393851549.db2.gz ANBNXLJSPDOJCD-UHFFFAOYSA-N -1 3 272.279 3.392 20 0 CGADHM C[C@@H]1CC[C@@H](NC(=O)Cc2ccc([O-])c(F)c2)C[C@H]1C ZINC000450580502 394023513 /nfs/dbraw/zinc/02/35/13/394023513.db2.gz CCOKXUOMVHCKAS-NQBHXWOUSA-N -1 3 279.355 3.015 20 0 CGADHM CCC[C@H]1CCCN(C(=O)Cc2ccc([O-])c(F)c2)C1 ZINC000450104201 393979056 /nfs/dbraw/zinc/97/90/56/393979056.db2.gz LGUNKZGMOJXPQY-LBPRGKRZSA-N -1 3 279.355 3.113 20 0 CGADHM CC[C@@H]1C[C@H]1CNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000452765340 394114940 /nfs/dbraw/zinc/11/49/40/394114940.db2.gz JYPFLZDVWRGBCW-OLZOCXBDSA-N -1 3 279.355 3.016 20 0 CGADHM CC1(C)C[C@H](CNCc2cccc([O-])c2Cl)CCO1 ZINC000453581206 394250460 /nfs/dbraw/zinc/25/04/60/394250460.db2.gz MAPDREVLKKUSND-LLVKDONJSA-N -1 3 283.799 3.340 20 0 CGADHM CC[C@H]1CCCN1C(=O)c1cc(SC)ccc1[O-] ZINC000668086249 542967699 /nfs/dbraw/zinc/96/76/99/542967699.db2.gz DWPGBRWNVQXFPL-JTQLQIEISA-N -1 3 265.378 3.129 20 0 CGADHM C[C@@H]1CCN(C(=O)[C@@H]2CCC(C)(C)O2)c2c([O-])cccc21 ZINC000280196021 296527533 /nfs/dbraw/zinc/52/75/33/296527533.db2.gz JZPJIBJUPZPIOH-RISCZKNCSA-N -1 3 289.375 3.190 20 0 CGADHM Cc1ccc(C(=O)N2Cc3ccccc3C[C@H]2C)c([O-])c1 ZINC000172787500 292070383 /nfs/dbraw/zinc/07/03/83/292070383.db2.gz WTUDMZPSQREKEU-CYBMUJFWSA-N -1 3 281.355 3.288 20 0 CGADHM Cc1cccc([O-])c1NC(=O)c1occ2c1CCC2 ZINC000671788226 543190458 /nfs/dbraw/zinc/19/04/58/543190458.db2.gz MKVDHQFYSGGGHN-UHFFFAOYSA-N -1 3 257.289 3.035 20 0 CGADHM Cc1cccc(S(=O)(=O)[N-]c2cc(C)ccc2F)c1 ZINC000047367632 397632272 /nfs/dbraw/zinc/63/22/72/397632272.db2.gz RXYDDVBRMXJFJU-UHFFFAOYSA-N -1 3 279.336 3.243 20 0 CGADHM COc1ccsc1C(=O)[N-]c1cnccc1SC ZINC000674255805 543277904 /nfs/dbraw/zinc/27/79/04/543277904.db2.gz FBMPKBDAILUIJI-UHFFFAOYSA-N -1 3 280.374 3.126 20 0 CGADHM C[C@@H]1CCC[C@]1(C)c1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000650605572 397879868 /nfs/dbraw/zinc/87/98/68/397879868.db2.gz URFXPLYOMWZDCJ-PSLIRLAXSA-N -1 3 283.335 3.086 20 0 CGADHM Cc1noc(C(F)F)c1C(=O)[N-]c1ncc(Cl)s1 ZINC000674931901 543307546 /nfs/dbraw/zinc/30/75/46/543307546.db2.gz DGMYYIBFUIGNRM-UHFFFAOYSA-N -1 3 293.682 3.283 20 0 CGADHM Cc1ccc(C(=O)Nc2c([O-])cccc2Cl)cn1 ZINC000552432588 289188815 /nfs/dbraw/zinc/18/88/15/289188815.db2.gz RNXKFFFSJYYXSH-UHFFFAOYSA-N -1 3 262.696 3.001 20 0 CGADHM CC(=O)C(C)(C)CCC(=O)Nc1ccc(Cl)cc1[O-] ZINC000677212861 543440905 /nfs/dbraw/zinc/44/09/05/543440905.db2.gz VPHNOKJNFFXNHX-UHFFFAOYSA-N -1 3 283.755 3.380 20 0 CGADHM Cc1ccoc1CN1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000678130156 543486003 /nfs/dbraw/zinc/48/60/03/543486003.db2.gz HKXVYONDHYKUMY-UHFFFAOYSA-N -1 3 299.370 3.389 20 0 CGADHM COc1ccc([O-])c(C(=O)Nc2ccc(C)cc2C)c1 ZINC000050107490 286930815 /nfs/dbraw/zinc/93/08/15/286930815.db2.gz BTFFTAYNTXHKPD-UHFFFAOYSA-N -1 3 271.316 3.270 20 0 CGADHM CCc1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000080923408 287069001 /nfs/dbraw/zinc/06/90/01/287069001.db2.gz LFQASWAVWAULPQ-UHFFFAOYSA-N -1 3 279.336 3.189 20 0 CGADHM C[C@H](c1ccccc1F)N(C)CCCCCC(=O)[O-] ZINC000083679648 287080363 /nfs/dbraw/zinc/08/03/63/287080363.db2.gz ZWBKXQVRUWTZDZ-GFCCVEGCSA-N -1 3 267.344 3.464 20 0 CGADHM [O-]c1ccccc1-c1nc([C@@H]2Cc3ccccc32)no1 ZINC000086492354 287082906 /nfs/dbraw/zinc/08/29/06/287082906.db2.gz KIYLGFKPWKQDGF-CYBMUJFWSA-N -1 3 264.284 3.130 20 0 CGADHM O=C(Nc1ccc([O-])cc1F)[C@@H]1CCOc2ccccc21 ZINC000070333174 165060333 /nfs/dbraw/zinc/06/03/33/165060333.db2.gz YVJMMHCHWFAQKR-GFCCVEGCSA-N -1 3 287.290 3.036 20 0 CGADHM CCC(CC)c1nnc([N-]C(=O)c2ccncc2F)s1 ZINC000078061405 165126341 /nfs/dbraw/zinc/12/63/41/165126341.db2.gz LUHCFICJZPGRSZ-UHFFFAOYSA-N -1 3 294.355 3.228 20 0 CGADHM CCC(CC)c1cc(C(=O)[N-]c2cc(OC)ccn2)on1 ZINC000089980050 287097337 /nfs/dbraw/zinc/09/73/37/287097337.db2.gz LTWSDHLILGKRQU-UHFFFAOYSA-N -1 3 289.335 3.234 20 0 CGADHM CC(C)[C@@H]1CCCN(C(=O)c2cccc([O-])c2)CC1 ZINC000079349867 165142676 /nfs/dbraw/zinc/14/26/76/165142676.db2.gz UCUGNNUVUIOPEB-CYBMUJFWSA-N -1 3 261.365 3.291 20 0 CGADHM CC(C)[C@H]1CCCN(C(=O)c2cccc([O-])c2)CC1 ZINC000079349872 165143331 /nfs/dbraw/zinc/14/33/31/165143331.db2.gz UCUGNNUVUIOPEB-ZDUSSCGKSA-N -1 3 261.365 3.291 20 0 CGADHM COCc1ccc(C(=O)[N-]c2cc(-c3ccccc3)on2)o1 ZINC000081737709 165165853 /nfs/dbraw/zinc/16/58/53/165165853.db2.gz GRISNLIRLZTBBA-UHFFFAOYSA-N -1 3 298.298 3.333 20 0 CGADHM COc1cc(C)cc(C(=O)N(C)c2ccc(F)cc2)c1[O-] ZINC000094031473 287121068 /nfs/dbraw/zinc/12/10/68/287121068.db2.gz SQKCGGLTGHWVHN-UHFFFAOYSA-N -1 3 289.306 3.125 20 0 CGADHM COc1ccccc1-c1noc(-c2cc(C)ccc2[O-])n1 ZINC000109037295 287127470 /nfs/dbraw/zinc/12/74/70/287127470.db2.gz KFGRHBVXJVEYBV-UHFFFAOYSA-N -1 3 282.299 3.426 20 0 CGADHM CC(C)[C@@H]1CCCN(Cc2ccc(C(=O)[O-])cn2)CC1 ZINC000094762869 287122670 /nfs/dbraw/zinc/12/26/70/287122670.db2.gz VQZCVOLDZNHEKV-CYBMUJFWSA-N -1 3 276.380 3.038 20 0 CGADHM CC(C)(C)c1ccc(S(=O)(=O)[N-]Cc2ccco2)s1 ZINC000119555164 287170946 /nfs/dbraw/zinc/17/09/46/287170946.db2.gz XWWSNMYJQHSLCH-UHFFFAOYSA-N -1 3 299.417 3.117 20 0 CGADHM CCc1ccc(CN[C@H](CC(=O)[O-])CC(C)(C)C)o1 ZINC000284297122 196023634 /nfs/dbraw/zinc/02/36/34/196023634.db2.gz RKIRTTSYXMNDIK-LLVKDONJSA-N -1 3 267.369 3.211 20 0 CGADHM CSc1nsc([N-]C(=O)c2cc3ccccc3o2)n1 ZINC000009255266 170368677 /nfs/dbraw/zinc/36/86/77/170368677.db2.gz ZQFJBUPWZQGTHR-UHFFFAOYSA-N -1 3 291.357 3.259 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CC[C@@H]3CCCC[C@@H]3C2)c1 ZINC000035175106 172028686 /nfs/dbraw/zinc/02/86/86/172028686.db2.gz MUCXGLOXNIRWKL-UONOGXRCSA-N -1 3 273.376 3.353 20 0 CGADHM CN(Cc1ccsc1)Cc1ccccc1C(=O)[O-] ZINC000035719439 172374115 /nfs/dbraw/zinc/37/41/15/172374115.db2.gz IOJZXHYYXLUEEY-UHFFFAOYSA-N -1 3 261.346 3.078 20 0 CGADHM O=C([O-])C[C@@H]1CCCCN1Cc1ccc(Cl)cc1 ZINC000038027665 174014430 /nfs/dbraw/zinc/01/44/30/174014430.db2.gz GEECCCIYHKVCFF-ZDUSSCGKSA-N -1 3 267.756 3.169 20 0 CGADHM CCC(CC)Nc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000736345220 572783733 /nfs/dbraw/zinc/78/37/33/572783733.db2.gz GIDUMGHOXSGUDG-UHFFFAOYSA-N -1 3 265.748 3.121 20 0 CGADHM CCC(CC)Nc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000736345220 572783736 /nfs/dbraw/zinc/78/37/36/572783736.db2.gz GIDUMGHOXSGUDG-UHFFFAOYSA-N -1 3 265.748 3.121 20 0 CGADHM O=C(Nc1cccc([O-])c1F)c1ccccc1OC(F)F ZINC000128247158 287306711 /nfs/dbraw/zinc/30/67/11/287306711.db2.gz DVPZHTMHHDZGBS-UHFFFAOYSA-N -1 3 297.232 3.385 20 0 CGADHM O=C(Nc1cccc([O-])c1F)[C@@H]1CSc2ccccc21 ZINC000128669237 287315874 /nfs/dbraw/zinc/31/58/74/287315874.db2.gz PJNPGKOIKUAQNS-SNVBAGLBSA-N -1 3 289.331 3.359 20 0 CGADHM O=C(Cc1cccc2ccccc21)[N-]OCCC(F)(F)F ZINC000077239671 177237296 /nfs/dbraw/zinc/23/72/96/177237296.db2.gz JCJPJCGJHHRAMW-UHFFFAOYSA-N -1 3 297.276 3.383 20 0 CGADHM O=C(COc1ccc(Cl)cc1)Nc1cccc([O-])c1F ZINC000129414794 287330884 /nfs/dbraw/zinc/33/08/84/287330884.db2.gz BCUHPKHLRRCJKL-UHFFFAOYSA-N -1 3 295.697 3.202 20 0 CGADHM CC(C)COc1ccccc1CN1CCC[C@H](C(=O)[O-])C1 ZINC000066115087 416488011 /nfs/dbraw/zinc/48/80/11/416488011.db2.gz IMCYSJFDSLZZFK-HNNXBMFYSA-N -1 3 291.391 3.018 20 0 CGADHM CSc1ccc(CN2CCC3(C[C@H]3C(=O)[O-])CC2)cc1 ZINC000405384195 416558768 /nfs/dbraw/zinc/55/87/68/416558768.db2.gz ZWOSSUSITWMUCJ-AWEZNQCLSA-N -1 3 291.416 3.095 20 0 CGADHM Cn1c(C(=O)Nc2cccc([O-])c2F)cc2ccccc21 ZINC000129714778 287338082 /nfs/dbraw/zinc/33/80/82/287338082.db2.gz QKPOSCQXRYDLBM-UHFFFAOYSA-N -1 3 284.290 3.275 20 0 CGADHM Cc1cc(C(=O)N2CCCc3sccc3C2)ccc1[O-] ZINC000679409152 543636127 /nfs/dbraw/zinc/63/61/27/543636127.db2.gz KZBUKXNOWDQNTM-UHFFFAOYSA-N -1 3 287.384 3.351 20 0 CGADHM CCc1cccc(C(=O)Nc2c(C)cccc2O)c1[O-] ZINC000679320757 543616467 /nfs/dbraw/zinc/61/64/67/543616467.db2.gz LFHPHEYAUKAUDU-UHFFFAOYSA-N -1 3 271.316 3.221 20 0 CGADHM CCC[C@@H](NC(=O)c1cccc([O-])c1)c1ccccn1 ZINC000679638759 543653316 /nfs/dbraw/zinc/65/33/16/543653316.db2.gz XSOAWSDNIJBNSG-OAHLLOKOSA-N -1 3 270.332 3.058 20 0 CGADHM C[C@@H](C(=O)Nc1ccc([O-])cc1F)C1CCCC1 ZINC000679919496 543667777 /nfs/dbraw/zinc/66/77/77/543667777.db2.gz AQQPXANNSYYZLX-SECBINFHSA-N -1 3 251.301 3.296 20 0 CGADHM O=C(c1csc(=O)[n-]1)N(Cc1ccco1)C1CCCC1 ZINC000681127001 543769075 /nfs/dbraw/zinc/76/90/75/543769075.db2.gz VFOOPWFOODNECY-UHFFFAOYSA-N -1 3 292.360 3.027 20 0 CGADHM O=S(=O)([N-][C@H](CC1CC1)c1ccccc1)c1ccco1 ZINC000682082049 543824748 /nfs/dbraw/zinc/82/47/48/543824748.db2.gz KPOHBDDSPGPGCG-CQSZACIVSA-N -1 3 291.372 3.099 20 0 CGADHM COc1cc(C(=O)N(C2CC2)C2CCCCC2)ccc1[O-] ZINC000682358804 543836302 /nfs/dbraw/zinc/83/63/02/543836302.db2.gz MUVZGGGGTASCML-UHFFFAOYSA-N -1 3 289.375 3.338 20 0 CGADHM Cc1cc(C)nc(S[C@H](C)c2nc(C)cc(=O)[n-]2)c1 ZINC000682449362 543846573 /nfs/dbraw/zinc/84/65/73/543846573.db2.gz AHFDFAAIAIPXPM-LLVKDONJSA-N -1 3 275.377 3.356 20 0 CGADHM Cc1ccc(F)cc1CNCc1cccc(C(=O)[O-])c1 ZINC000683176775 543901761 /nfs/dbraw/zinc/90/17/61/543901761.db2.gz RLVJTJRNMWTYDR-UHFFFAOYSA-N -1 3 273.307 3.122 20 0 CGADHM COc1ccc([C@H](CC(=O)[O-])NCc2ccsc2)cc1 ZINC000683171037 543901152 /nfs/dbraw/zinc/90/11/52/543901152.db2.gz FGEKFICCCUJTBH-AWEZNQCLSA-N -1 3 291.372 3.062 20 0 CGADHM O=C(N[C@@H](CC1CC1)c1ccccc1)c1csc(=O)[n-]1 ZINC000684286369 543978934 /nfs/dbraw/zinc/97/89/34/543978934.db2.gz KGSNNQMZDBNZTQ-LBPRGKRZSA-N -1 3 288.372 3.120 20 0 CGADHM c1cn2cc(C[N-]c3nc(-c4ccccc4)no3)nc2s1 ZINC000683745848 543937520 /nfs/dbraw/zinc/93/75/20/543937520.db2.gz SYAAXLBSDMVBTB-UHFFFAOYSA-N -1 3 297.343 3.058 20 0 CGADHM CCC[C@H](C)NC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000684373678 543987523 /nfs/dbraw/zinc/98/75/23/543987523.db2.gz YPUMAJYBQOJKEU-QMMMGPOBSA-N -1 3 275.270 3.329 20 0 CGADHM CC[C@H]1CCCCCN1C(=O)c1cc(OC)ccc1[O-] ZINC000134723364 287452679 /nfs/dbraw/zinc/45/26/79/287452679.db2.gz IFGPIZRDKPLDHR-LBPRGKRZSA-N -1 3 277.364 3.196 20 0 CGADHM FC(F)c1nnc([N-]Cc2cc(Cl)cs2)o1 ZINC000192759839 227281196 /nfs/dbraw/zinc/28/11/96/227281196.db2.gz NZCIAAMOLADKLJ-UHFFFAOYSA-N -1 3 265.672 3.334 20 0 CGADHM Cc1ccccc1[C@@H](C)N(C)Cc1ncccc1C(=O)[O-] ZINC000652389248 418960242 /nfs/dbraw/zinc/96/02/42/418960242.db2.gz IATCLNPHNQGUEL-CYBMUJFWSA-N -1 3 284.359 3.281 20 0 CGADHM C[C@@H]1CC[C@H](C)N(Cc2csc(C(=O)[O-])c2)C1 ZINC000652418928 418964334 /nfs/dbraw/zinc/96/43/34/418964334.db2.gz VBWNWMVIXRBSRG-ZJUUUORDSA-N -1 3 253.367 3.067 20 0 CGADHM CN(CCC(C)(C)C)Cc1csc(C(=O)[O-])c1 ZINC000652416936 418964539 /nfs/dbraw/zinc/96/45/39/418964539.db2.gz MJEFONCOINKSDB-UHFFFAOYSA-N -1 3 255.383 3.314 20 0 CGADHM CC[C@@H]1CO[C@@H](CC)CN1C(=O)c1ccc(C)c(C)c1[O-] ZINC000652762449 418990640 /nfs/dbraw/zinc/99/06/40/418990640.db2.gz KRUGJUSMZYCXFT-KGLIPLIRSA-N -1 3 291.391 3.039 20 0 CGADHM CC/C=C/CCN1CCc2c(cccc2C(=O)[O-])C1 ZINC000659792327 418991751 /nfs/dbraw/zinc/99/17/51/418991751.db2.gz ZQFXFPXVNHBDPJ-ONEGZZNKSA-N -1 3 259.349 3.099 20 0 CGADHM COc1ccc(C(C)C)cc1CN(C)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000659801841 418994843 /nfs/dbraw/zinc/99/48/43/418994843.db2.gz KTVPABSGWWVXLT-OTVXOJSOSA-N -1 3 291.391 3.114 20 0 CGADHM O=C([O-])c1cnoc1CN1CCC[C@@H](C2CCCCC2)C1 ZINC000659803932 418997210 /nfs/dbraw/zinc/99/72/10/418997210.db2.gz QSHOFDLXPQGDBK-CYBMUJFWSA-N -1 3 292.379 3.165 20 0 CGADHM CC(=O)c1ccc(C(=O)NC2[C@H](C)CCC[C@H]2C)cc1[O-] ZINC000665343215 419113137 /nfs/dbraw/zinc/11/31/37/419113137.db2.gz SEKMYXJKBWUSAC-GHMZBOCLSA-N -1 3 289.375 3.149 20 0 CGADHM Cc1cc(F)c(CNC[C@@H](C(=O)[O-])C2CCC2)c(Cl)c1 ZINC000665358867 419116948 /nfs/dbraw/zinc/11/69/48/419116948.db2.gz RQHPWDCZDNKIJT-LLVKDONJSA-N -1 3 299.773 3.378 20 0 CGADHM CC[C@H](NCc1cccc([O-])c1Cl)[C@@H]1CCCCO1 ZINC000655855648 419123277 /nfs/dbraw/zinc/12/32/77/419123277.db2.gz FUCQKQNJKBGIRO-JSGCOSHPSA-N -1 3 283.799 3.483 20 0 CGADHM Cc1ccc(NC(=O)[C@@H]2COC[C@H]2c2ccccc2)c([O-])c1 ZINC000665202449 419079937 /nfs/dbraw/zinc/07/99/37/419079937.db2.gz DCFFQEYZPZNPAX-LSDHHAIUSA-N -1 3 297.354 3.069 20 0 CGADHM CC[C@H]([N-]c1nc(C2CCC2)no1)[C@H]1CCCCO1 ZINC000656228082 419155856 /nfs/dbraw/zinc/15/58/56/419155856.db2.gz VETHRXMTRIRSQC-NWDGAFQWSA-N -1 3 265.357 3.097 20 0 CGADHM CSc1ccc([O-])c(C(=O)N(C)C2CCCC2)c1 ZINC000665866094 419167211 /nfs/dbraw/zinc/16/72/11/419167211.db2.gz AIAUWEWDNYAALF-UHFFFAOYSA-N -1 3 265.378 3.129 20 0 CGADHM CCCC[C@@H](NCc1cccc(OC2CC2)c1F)C(=O)[O-] ZINC000656565338 419183419 /nfs/dbraw/zinc/18/34/19/419183419.db2.gz LDCDBGYPXBHCRN-CYBMUJFWSA-N -1 3 295.354 3.100 20 0 CGADHM C[C@H](C(=O)[O-])N(C)Cc1ccccc1OCc1ccccc1 ZINC000655923066 419126446 /nfs/dbraw/zinc/12/64/46/419126446.db2.gz ZMVCYSDJYZSSGO-CQSZACIVSA-N -1 3 299.370 3.171 20 0 CGADHM CC(C)[C@H]([N-]S(=O)(=O)c1ccco1)c1ccccc1F ZINC000657109485 419227512 /nfs/dbraw/zinc/22/75/12/419227512.db2.gz IRUVNQFWBMGXNU-AWEZNQCLSA-N -1 3 297.351 3.094 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCC(c3ccco3)CC2)n1 ZINC000661161284 419236573 /nfs/dbraw/zinc/23/65/73/419236573.db2.gz PGKMTKQBRZKDGO-GFCCVEGCSA-N -1 3 287.363 3.024 20 0 CGADHM CC(C)(C)CN(CC(=O)[O-])Cc1cc(F)ccc1Cl ZINC000662227293 419366917 /nfs/dbraw/zinc/36/69/17/419366917.db2.gz ZHEWADLXZWMONR-UHFFFAOYSA-N -1 3 287.762 3.412 20 0 CGADHM Cc1cc(C(=O)NC2C[C@H](C)C[C@@H](C)C2)ccc1[O-] ZINC000227033106 287636897 /nfs/dbraw/zinc/63/68/97/287636897.db2.gz PZQMNIMAZCFXRL-GHMZBOCLSA-N -1 3 261.365 3.255 20 0 CGADHM Cc1cccc([O-])c1NC(=O)/C=C/c1cccc(F)c1 ZINC000179563494 260055750 /nfs/dbraw/zinc/05/57/50/260055750.db2.gz RFQDORCYVSPBQB-CMDGGOBGSA-N -1 3 271.291 3.492 20 0 CGADHM CC[C@H](CSC)N(C)Cc1ccc(C(=O)[O-])c(F)c1 ZINC000234025029 260336397 /nfs/dbraw/zinc/33/63/97/260336397.db2.gz PEBDUPIJMWAQHY-LLVKDONJSA-N -1 3 285.384 3.097 20 0 CGADHM Cc1cccc(C(=O)N[C@@H]2CCCc3cc(N)ccc32)c1[O-] ZINC000318590882 262008800 /nfs/dbraw/zinc/00/88/00/262008800.db2.gz LVSRRSHRKHJUAQ-MRXNPFEDSA-N -1 3 296.370 3.090 20 0 CGADHM COc1ccc(C)cc1CN1CCC[C@H](CCC(=O)[O-])C1 ZINC000043585242 270034450 /nfs/dbraw/zinc/03/44/50/270034450.db2.gz UXUCFZKKNFBJHR-CQSZACIVSA-N -1 3 291.391 3.080 20 0 CGADHM CC(C)(CNC(=O)c1cccc([O-])c1)c1cccc(F)c1 ZINC000182468537 270054167 /nfs/dbraw/zinc/05/41/67/270054167.db2.gz IKPJQRKDUHGRDY-UHFFFAOYSA-N -1 3 287.334 3.239 20 0 CGADHM [O-]c1cc(F)cc(CNCc2cccc(OC(F)F)c2)c1 ZINC000185519336 270063070 /nfs/dbraw/zinc/06/30/70/270063070.db2.gz LFJGQFQDGFHRKW-UHFFFAOYSA-N -1 3 297.276 3.423 20 0 CGADHM CC[C@H](NCc1cc([O-])cc(F)c1)c1c(C)noc1C ZINC000185609539 270063540 /nfs/dbraw/zinc/06/35/40/270063540.db2.gz WMCUTJNYARNECS-AWEZNQCLSA-N -1 3 278.327 3.377 20 0 CGADHM CC(=O)c1c[nH]c(C(=O)N2CC[C@H](C)c3cccc([O-])c32)c1 ZINC000186254810 270065299 /nfs/dbraw/zinc/06/52/99/270065299.db2.gz DEYQDGJFRZATED-JTQLQIEISA-N -1 3 298.342 3.077 20 0 CGADHM C[C@H]1CCN(C(=O)Cc2ccoc2)c2c([O-])cccc21 ZINC000187547548 270068939 /nfs/dbraw/zinc/06/89/39/270068939.db2.gz FQLOZJDSNSQMAG-NSHDSACASA-N -1 3 271.316 3.068 20 0 CGADHM Cc1ccncc1NC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000188922106 270070297 /nfs/dbraw/zinc/07/02/97/270070297.db2.gz BJNZWWHFQJQUEY-UHFFFAOYSA-N -1 3 296.248 3.367 20 0 CGADHM O=C(Nc1cccc2c1CCCC2)c1c([O-])cccc1O ZINC000228736158 270087922 /nfs/dbraw/zinc/08/79/22/270087922.db2.gz MJCNWTPIGHOSSO-UHFFFAOYSA-N -1 3 283.327 3.229 20 0 CGADHM CCCC[C@H](CC)CNC(=O)c1c([O-])cccc1O ZINC000228855133 270088236 /nfs/dbraw/zinc/08/82/36/270088236.db2.gz IPPZSIQUVHJUEB-NSHDSACASA-N -1 3 265.353 3.044 20 0 CGADHM [O-]c1cc2ccccc2cc1-c1nc(-c2ncccn2)no1 ZINC000315767496 270092752 /nfs/dbraw/zinc/09/27/52/270092752.db2.gz ZTLKBRIERHAHSH-UHFFFAOYSA-N -1 3 290.282 3.052 20 0 CGADHM CCOc1ccccc1CN(C)CCC(C)(C)CC(=O)[O-] ZINC000519610791 270097785 /nfs/dbraw/zinc/09/77/85/270097785.db2.gz SOIDJRVLNBWJRA-UHFFFAOYSA-N -1 3 293.407 3.408 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)[C@@H](C)C(F)(F)F)c1[O-] ZINC000525242034 270118304 /nfs/dbraw/zinc/11/83/04/270118304.db2.gz HBWPWCWXUVTAMI-ZCFIWIBFSA-N -1 3 281.661 3.491 20 0 CGADHM C[C@@H]1CCCCN1C(=O)c1cc([O-])cc(Br)c1 ZINC000527651473 270131007 /nfs/dbraw/zinc/13/10/07/270131007.db2.gz FZHHQVMYMPNQFZ-SECBINFHSA-N -1 3 298.180 3.169 20 0 CGADHM Cc1ccc([O-])c(CN[C@@H](c2ccccn2)C2CCC2)n1 ZINC000527773072 270135309 /nfs/dbraw/zinc/13/53/09/270135309.db2.gz ONEWGPOPUQYYMJ-QGZVFWFLSA-N -1 3 283.375 3.122 20 0 CGADHM C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000528873929 270174985 /nfs/dbraw/zinc/17/49/85/270174985.db2.gz DMJXYUYPZOSJQT-YDEXJTGXSA-N -1 3 283.755 3.044 20 0 CGADHM CC(C)CO[N-]C(=O)[C@H]1CC[C@H]1c1ccc(F)cc1 ZINC000528878080 270175106 /nfs/dbraw/zinc/17/51/06/270175106.db2.gz FTQFARZREGCBBW-KBPBESRZSA-N -1 3 265.328 3.023 20 0 CGADHM C[C@@H](CC(=O)N1CCCc2cccc([O-])c21)c1ccco1 ZINC000528938747 270176140 /nfs/dbraw/zinc/17/61/40/270176140.db2.gz QKYUXORNFYSBEZ-LBPRGKRZSA-N -1 3 285.343 3.458 20 0 CGADHM CC1(C)C[C@H](C(=O)Nc2ccc([O-])cc2F)C(C)(C)O1 ZINC000528988922 270176721 /nfs/dbraw/zinc/17/67/21/270176721.db2.gz LUYSVLHTPCVFNK-SNVBAGLBSA-N -1 3 281.327 3.064 20 0 CGADHM O=C([O-])[C@@H]1c2ccoc2CCN1CC/C=C\c1ccccc1 ZINC000530166486 270195346 /nfs/dbraw/zinc/19/53/46/270195346.db2.gz NOKNQBMPAYIVTA-LYLYKKCESA-N -1 3 297.354 3.367 20 0 CGADHM CCC[C@@H](C)C(=O)N=c1[nH][n-]c(C)c1-c1ccc(C)cc1 ZINC000530271572 270198074 /nfs/dbraw/zinc/19/80/74/270198074.db2.gz JGJUQPQRCBXEQW-GFCCVEGCSA-N -1 3 285.391 3.490 20 0 CGADHM CCc1cccc(C(=O)N2CCC(C)(C)CC2)c1[O-] ZINC000531431955 270206775 /nfs/dbraw/zinc/20/67/75/270206775.db2.gz DFPBLUNNDLLFFG-UHFFFAOYSA-N -1 3 261.365 3.217 20 0 CGADHM CCc1cccc(C(=O)N[C@@H](C)CNc2ccccc2)c1[O-] ZINC000531895615 270210499 /nfs/dbraw/zinc/21/04/99/270210499.db2.gz KWRZRTLZIFOXJD-ZDUSSCGKSA-N -1 3 298.386 3.185 20 0 CGADHM C[C@@H]1CCN(C(=O)[C@@H]2CCCS2)c2c([O-])cccc21 ZINC000274382291 277743585 /nfs/dbraw/zinc/74/35/85/277743585.db2.gz NGOLAWVXRUZQGY-MFKMUULPSA-N -1 3 277.389 3.128 20 0 CGADHM CN(C(=O)c1cc([O-])ccc1Cl)C1CC(C)(C)C1 ZINC000395479754 288009561 /nfs/dbraw/zinc/00/95/61/288009561.db2.gz RAEHPXNYNXWBSP-UHFFFAOYSA-N -1 3 267.756 3.306 20 0 CGADHM CC(C)c1scnc1[N-]C(=O)c1ncoc1C1CC1 ZINC000297863052 278119641 /nfs/dbraw/zinc/11/96/41/278119641.db2.gz STYNJTMJAJNRNT-UHFFFAOYSA-N -1 3 277.349 3.384 20 0 CGADHM CC(C)(C)C(C)(C)[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000431562335 278298760 /nfs/dbraw/zinc/29/87/60/278298760.db2.gz BYISBPMXNVTFOE-UHFFFAOYSA-N -1 3 291.363 3.068 20 0 CGADHM CC1(C)COc2c1cccc2C(=O)Nc1ccccc1[O-] ZINC000436423120 278359083 /nfs/dbraw/zinc/35/90/83/278359083.db2.gz QBTMJHDETXEKPZ-UHFFFAOYSA-N -1 3 283.327 3.315 20 0 CGADHM C[C@@H]1CCN(C(=O)c2cncc(F)c2)c2c([O-])cccc21 ZINC000274377736 278543599 /nfs/dbraw/zinc/54/35/99/278543599.db2.gz MCXDLGQSKXBOOF-SNVBAGLBSA-N -1 3 286.306 3.080 20 0 CGADHM Cc1cc(C(=O)N2CCC[C@@]3(CCSC3)C2)ccc1[O-] ZINC000334765145 278634112 /nfs/dbraw/zinc/63/41/12/278634112.db2.gz YRMSXMXJCBMSFT-MRXNPFEDSA-N -1 3 291.416 3.060 20 0 CGADHM Cc1cscc1[N-]C(=O)c1cc(-c2ccccn2)no1 ZINC000439628236 288069941 /nfs/dbraw/zinc/06/99/41/288069941.db2.gz YCSDAAUAZPZKMS-UHFFFAOYSA-N -1 3 285.328 3.359 20 0 CGADHM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[N-]S(=O)(=O)c1ccco1 ZINC000527326462 288166983 /nfs/dbraw/zinc/16/69/83/288166983.db2.gz JPHUXEGSUNTBIZ-FRRDWIJNSA-N -1 3 285.409 3.019 20 0 CGADHM C[C@H]1CCC[C@H]1NC(=O)c1cc([O-])cc(Br)c1 ZINC000528429606 288199560 /nfs/dbraw/zinc/19/95/60/288199560.db2.gz ARJKMJUIZMZGMA-QPUJVOFHSA-N -1 3 298.180 3.073 20 0 CGADHM CC(C)[C@H](C(=O)[O-])[C@H](C)NCc1ccc(F)cc1Cl ZINC000424628738 280189677 /nfs/dbraw/zinc/18/96/77/280189677.db2.gz XAAZPLQLDBVZOH-ZANVPECISA-N -1 3 287.762 3.314 20 0 CGADHM Cc1ccc([O-])c(CNc2cccc(Cl)c2N(C)C)n1 ZINC000091994213 280920247 /nfs/dbraw/zinc/92/02/47/280920247.db2.gz GIZWKSVIISSCNI-UHFFFAOYSA-N -1 3 291.782 3.427 20 0 CGADHM CC[C@H]1CC[C@H](C)N1C(=O)c1ccc(C)c(C)c1[O-] ZINC000436769740 281115136 /nfs/dbraw/zinc/11/51/36/281115136.db2.gz ZTVBWOJRZJQQHR-AAEUAGOBSA-N -1 3 261.365 3.412 20 0 CGADHM CCO[C@@H](C)c1ncc(C(=O)[N-]c2csc(C)n2)s1 ZINC000535728405 288456941 /nfs/dbraw/zinc/45/69/41/288456941.db2.gz NBZVEPXHSMEDPA-ZETCQYMHSA-N -1 3 297.405 3.258 20 0 CGADHM CSc1ccccc1CC(=O)Nc1cccc([O-])c1F ZINC000537465337 288531033 /nfs/dbraw/zinc/53/10/33/288531033.db2.gz IMBBOFUTEJSBBW-UHFFFAOYSA-N -1 3 291.347 3.434 20 0 CGADHM Cc1cc(C(=O)NCc2ccc([C@H]3C[C@@H]3C)o2)ccc1[O-] ZINC000540926521 288677531 /nfs/dbraw/zinc/67/75/31/288677531.db2.gz PYSCHAMMPFPJSV-HZMBPMFUSA-N -1 3 285.343 3.347 20 0 CGADHM COCc1nc(C(=O)[N-]c2c(C)cccc2SC)co1 ZINC000547864450 288981722 /nfs/dbraw/zinc/98/17/22/288981722.db2.gz DMVGJGGYDXQNSL-UHFFFAOYSA-N -1 3 292.360 3.104 20 0 CGADHM COc1cc(C)ccc1C(=O)Nc1c(C)cccc1[O-] ZINC000548047893 288986346 /nfs/dbraw/zinc/98/63/46/288986346.db2.gz NURNMCONPRJKSX-UHFFFAOYSA-N -1 3 271.316 3.270 20 0 CGADHM CC(C)(C)c1ccc(NC(=O)c2csc(=O)[nH]2)c([O-])c1 ZINC000548891454 289028384 /nfs/dbraw/zinc/02/83/84/289028384.db2.gz HVKQNHIOWOLQBF-UHFFFAOYSA-N -1 3 292.360 3.104 20 0 CGADHM O=C(NCCCc1cccs1)c1cc([O-])ccc1Cl ZINC000551795667 289133326 /nfs/dbraw/zinc/13/33/26/289133326.db2.gz PWCRDCSHFPOODN-UHFFFAOYSA-N -1 3 295.791 3.470 20 0 CGADHM C[C@@]1(F)CCCN(C(=O)c2cc3c(cc2[O-])CCCC3)C1 ZINC000452193577 289180634 /nfs/dbraw/zinc/18/06/34/289180634.db2.gz JGXDJJOCILHZAV-QGZVFWFLSA-N -1 3 291.366 3.235 20 0 CGADHM Cc1ccc(C(=O)N2CCC=C(c3ccccn3)C2)c([O-])c1 ZINC000552732051 289197161 /nfs/dbraw/zinc/19/71/61/289197161.db2.gz INRLRQBDRGYYNI-UHFFFAOYSA-N -1 3 294.354 3.025 20 0 CGADHM Cc1ccc(-c2nc(-c3ccc4n[n-]nc4c3)no2)c(C)c1 ZINC000555471694 289346467 /nfs/dbraw/zinc/34/64/67/289346467.db2.gz LYBCWBACZPVQSN-UHFFFAOYSA-N -1 3 291.314 3.292 20 0 CGADHM CCOc1cc(-c2noc([C@H]3C[C@@H]3C3CC3)n2)ccc1[O-] ZINC000556320131 289385908 /nfs/dbraw/zinc/38/59/08/289385908.db2.gz AHXBDSKALCMDJA-NEPJUHHUSA-N -1 3 286.331 3.354 20 0 CGADHM CCCc1nc(C)c(C(=O)Nc2cccc([O-])c2F)o1 ZINC000556692978 289403456 /nfs/dbraw/zinc/40/34/56/289403456.db2.gz TXSAQPNJKMCJOW-UHFFFAOYSA-N -1 3 278.283 3.033 20 0 CGADHM COc1cc(C(=O)N[C@@H]2CCCC[C@@H]2C(C)C)ccc1[O-] ZINC000442956727 294940672 /nfs/dbraw/zinc/94/06/72/294940672.db2.gz KIAWQHGKCAWZJD-ZIAGYGMSSA-N -1 3 291.391 3.345 20 0 CGADHM C[C@H](C(=O)N1CCCc2cccc([O-])c21)C1CCC1 ZINC000335582448 298045420 /nfs/dbraw/zinc/04/54/20/298045420.db2.gz ZYAHEYSMTZICPQ-NSHDSACASA-N -1 3 259.349 3.108 20 0 CGADHM Cc1cccc2c(=O)c(C(=O)N3CC[C@@H](C)[C@H]3C)c[n-]c12 ZINC000164473559 302054079 /nfs/dbraw/zinc/05/40/79/302054079.db2.gz NPMHXRZJOMVFFC-ZYHUDNBSSA-N -1 3 284.359 3.119 20 0 CGADHM Cc1ncsc1C(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000186327035 327686918 /nfs/dbraw/zinc/68/69/18/327686918.db2.gz AQGJJNRHCLZECU-VIFPVBQESA-N -1 3 288.372 3.311 20 0 CGADHM Cc1ccc(-c2nc(C3CCSCC3)no2)c([O-])c1 ZINC000402187296 321969594 /nfs/dbraw/zinc/96/95/94/321969594.db2.gz AQFOSHDCLDCQND-UHFFFAOYSA-N -1 3 276.361 3.361 20 0 CGADHM CCC[C@](C)(CC)c1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000564863224 322046724 /nfs/dbraw/zinc/04/67/24/322046724.db2.gz XWCIHOBMQPQTNP-HNNXBMFYSA-N -1 3 285.351 3.476 20 0 CGADHM C[C@@H]1CCN(CCc2ccc(F)cc2Cl)C[C@@H]1C(=O)[O-] ZINC000564969820 322051915 /nfs/dbraw/zinc/05/19/15/322051915.db2.gz CJXCKOJWJXLUPK-MFKMUULPSA-N -1 3 299.773 3.064 20 0 CGADHM CC[C@@]1(C)CCCN(Cc2cc(C(=O)[O-])oc2C)C1 ZINC000565105914 322060877 /nfs/dbraw/zinc/06/08/77/322060877.db2.gz UQJSSUXWUXJMPY-HNNXBMFYSA-N -1 3 265.353 3.298 20 0 CGADHM CC(C)[C@H]1C[C@H]1C(=O)Nc1c([O-])cccc1Cl ZINC000565197699 322065889 /nfs/dbraw/zinc/06/58/89/322065889.db2.gz AUUXQZQGYPBRBV-RKDXNWHRSA-N -1 3 253.729 3.276 20 0 CGADHM C[C@H](c1ccc(F)c(F)c1)N(C)Cc1ncccc1[O-] ZINC000565625226 322084325 /nfs/dbraw/zinc/08/43/25/322084325.db2.gz IIKVQCFMRBLCFS-SNVBAGLBSA-N -1 3 278.302 3.258 20 0 CGADHM COc1ccc(CN2CC[C@H](C)C[C@H]2C(=O)[O-])cc1Cl ZINC000566567267 322129738 /nfs/dbraw/zinc/12/97/38/322129738.db2.gz YIVKLUZCALYXPT-GWCFXTLKSA-N -1 3 297.782 3.034 20 0 CGADHM CC[C@@]1(C)C[C@@H]1C(=O)Nc1c([O-])cccc1Cl ZINC000567249143 322156225 /nfs/dbraw/zinc/15/62/25/322156225.db2.gz YUUFEKWSKVXUOO-OQPBUACISA-N -1 3 253.729 3.420 20 0 CGADHM Cc1cc(CN2CC[C@]3(CC[C@@H](C)C3)C2)oc1C(=O)[O-] ZINC000567620177 322170854 /nfs/dbraw/zinc/17/08/54/322170854.db2.gz STJXCJOYWHCKNS-BZNIZROVSA-N -1 3 277.364 3.298 20 0 CGADHM O=c1cc(CSc2cccc(O)c2)nc(C2CC2)[n-]1 ZINC000567862368 322180491 /nfs/dbraw/zinc/18/04/91/322180491.db2.gz RYDJHGMKWHGQGM-UHFFFAOYSA-N -1 3 274.345 3.058 20 0 CGADHM O=C([O-])CCCNCc1csc(Cl)c1Cl ZINC000567867351 322180843 /nfs/dbraw/zinc/18/08/43/322180843.db2.gz NGNVMFQKYOZBIQ-UHFFFAOYSA-N -1 3 268.165 3.009 20 0 CGADHM Cc1ccc2nccc(N3CCC4(C[C@@H]4C(=O)[O-])CC3)c2c1 ZINC000567984589 322186912 /nfs/dbraw/zinc/18/69/12/322186912.db2.gz UBSGCAOTIAHTCE-CQSZACIVSA-N -1 3 296.370 3.234 20 0 CGADHM C[C@@H](NCc1ncccc1[O-])c1ccc2ncsc2c1 ZINC000568445110 322209678 /nfs/dbraw/zinc/20/96/78/322209678.db2.gz NXEOXBDVNKLFLL-SNVBAGLBSA-N -1 3 285.372 3.248 20 0 CGADHM Cc1oc([C@@H](C)N2CCC(OC(C)C)CC2)cc1C(=O)[O-] ZINC000568639190 322216764 /nfs/dbraw/zinc/21/67/64/322216764.db2.gz NQYRGLGCZLMIDG-LLVKDONJSA-N -1 3 295.379 3.237 20 0 CGADHM C[C@H]1COc2ccccc2CN1Cc1ccccc1C(=O)[O-] ZINC000568874511 322225754 /nfs/dbraw/zinc/22/57/54/322225754.db2.gz UMASZQMGCPKWRC-ZDUSSCGKSA-N -1 3 297.354 3.168 20 0 CGADHM Cc1cccc([C@@H]2CCCN2Cc2ccc(C(=O)[O-])cc2)n1 ZINC000569082492 322234414 /nfs/dbraw/zinc/23/44/14/322234414.db2.gz OFBPOXITSZYBIO-KRWDZBQOSA-N -1 3 296.370 3.425 20 0 CGADHM CC[C@H](F)CN(CC(=O)[O-])[C@@H](CC)c1ccccc1 ZINC000569826437 322258009 /nfs/dbraw/zinc/25/80/09/322258009.db2.gz WVYBDIIULWVIPM-KBPBESRZSA-N -1 3 267.344 3.272 20 0 CGADHM [O-]c1cc2c(cc1-c1nc(-c3ccsn3)no1)CCCC2 ZINC000570136857 322265751 /nfs/dbraw/zinc/26/57/51/322265751.db2.gz PIAWKUVLECFUSM-UHFFFAOYSA-N -1 3 299.355 3.445 20 0 CGADHM Cc1ccccc1[C@H](C(=O)[O-])N1CC=C(C(F)(F)F)CC1 ZINC000570577339 322277002 /nfs/dbraw/zinc/27/70/02/322277002.db2.gz XKBUPEZBOIGXIP-CYBMUJFWSA-N -1 3 299.292 3.315 20 0 CGADHM C[C@H]1CC[C@](CNCc2ccc(F)cc2F)(CC(=O)[O-])C1 ZINC000570776056 322281830 /nfs/dbraw/zinc/28/18/30/322281830.db2.gz QVXNQTNUOIQMOP-MEDUHNTESA-N -1 3 297.345 3.336 20 0 CGADHM Cc1ccc(C)n1C1CCN(Cc2ncccc2[O-])CC1 ZINC000572205414 322325363 /nfs/dbraw/zinc/32/53/63/322325363.db2.gz IELYXBUPGXZCRC-UHFFFAOYSA-N -1 3 285.391 3.043 20 0 CGADHM C[C@@H](c1ccco1)N(C)CCOc1cccc(C(=O)[O-])c1 ZINC000573213135 322375953 /nfs/dbraw/zinc/37/59/53/322375953.db2.gz YBVGXUSXTXBQPG-LBPRGKRZSA-N -1 3 289.331 3.050 20 0 CGADHM CC[C@@H]1CCC[C@@H]1c1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000573494490 322391203 /nfs/dbraw/zinc/39/12/03/322391203.db2.gz HRQXAINSCGDEGQ-KOLCDFICSA-N -1 3 283.335 3.302 20 0 CGADHM CC[C@H]1CCC[C@H]1c1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000573494487 322391258 /nfs/dbraw/zinc/39/12/58/322391258.db2.gz HRQXAINSCGDEGQ-GXSJLCMTSA-N -1 3 283.335 3.302 20 0 CGADHM CSCc1cccnc1C(=O)Nc1cccc([O-])c1F ZINC000573869273 322411484 /nfs/dbraw/zinc/41/14/84/322411484.db2.gz VIPBHAHGEGOSLS-UHFFFAOYSA-N -1 3 292.335 3.042 20 0 CGADHM c1cc(-c2noc(C3CCCCCC3)n2)cc2n[n-]nc12 ZINC000574457699 322441548 /nfs/dbraw/zinc/44/15/48/322441548.db2.gz OTSANKFDQXZOSL-UHFFFAOYSA-N -1 3 283.335 3.446 20 0 CGADHM CCOc1cc(-c2noc([C@@H]3C[C@H]3C3CC3)n2)ccc1[O-] ZINC000574512921 322444373 /nfs/dbraw/zinc/44/43/73/322444373.db2.gz AHXBDSKALCMDJA-NWDGAFQWSA-N -1 3 286.331 3.354 20 0 CGADHM C[C@@H](CC(F)F)c1nc(-c2ccc([O-])cc2)no1 ZINC000351178637 327309873 /nfs/dbraw/zinc/30/98/73/327309873.db2.gz GQSRJDCOZUWKAT-ZETCQYMHSA-N -1 3 254.236 3.201 20 0 CGADHM C[C@@H]1C[C@@H]1CC(=O)Nc1nnc(-c2cc3ccccc3o2)[n-]1 ZINC000583353138 327316617 /nfs/dbraw/zinc/31/66/17/327316617.db2.gz DRDZKRKZCPEJQY-MWLCHTKSSA-N -1 3 296.330 3.203 20 0 CGADHM C[C@@H]1C[C@@H]1CC(=O)Nc1nc(-c2cc3ccccc3o2)n[n-]1 ZINC000583353138 327316618 /nfs/dbraw/zinc/31/66/18/327316618.db2.gz DRDZKRKZCPEJQY-MWLCHTKSSA-N -1 3 296.330 3.203 20 0 CGADHM C[C@@H]1C[C@@H]1CC(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000583353138 327316619 /nfs/dbraw/zinc/31/66/19/327316619.db2.gz DRDZKRKZCPEJQY-MWLCHTKSSA-N -1 3 296.330 3.203 20 0 CGADHM C[C@@H]1C[C@@H](CSCc2cc(=O)[n-]c(C3CC3)n2)CCO1 ZINC000582350697 328967767 /nfs/dbraw/zinc/96/77/67/328967767.db2.gz UUBLGHAPZCNSLW-MNOVXSKESA-N -1 3 294.420 3.108 20 0 CGADHM CS[C@H](C)CC(=O)Nc1c([O-])cccc1Cl ZINC000582635190 329120090 /nfs/dbraw/zinc/12/00/90/329120090.db2.gz LISCEADXRNIIAZ-SSDOTTSWSA-N -1 3 259.758 3.126 20 0 CGADHM CN(Cc1ncccc1[O-])[C@H]1CCCc2ccccc21 ZINC000582931156 329286250 /nfs/dbraw/zinc/28/62/50/329286250.db2.gz MIDGGVSOIDMXSU-INIZCTEOSA-N -1 3 268.360 3.297 20 0 CGADHM CCN(CCOc1ccccc1C(=O)[O-])Cc1ccccc1 ZINC000011951451 329298473 /nfs/dbraw/zinc/29/84/73/329298473.db2.gz VBJQHXKKNNSJKA-UHFFFAOYSA-N -1 3 299.370 3.286 20 0 CGADHM CSCc1cc(C(=O)Nc2ncccc2[O-])ccc1F ZINC000175278745 335178959 /nfs/dbraw/zinc/17/89/59/335178959.db2.gz YOFPCYLLISVIIV-UHFFFAOYSA-N -1 3 292.335 3.042 20 0 CGADHM Cc1cc([O-])c2nc(/C=C/c3ccn(C)n3)ccc2c1 ZINC000576639042 335229357 /nfs/dbraw/zinc/22/93/57/335229357.db2.gz WOVCKOGPQNRVKE-AATRIKPKSA-N -1 3 265.316 3.153 20 0 CGADHM Cc1cc(N2CC[C@H](C)[C@@H](C(=O)[O-])C2)c2ccccc2n1 ZINC000577062988 335293919 /nfs/dbraw/zinc/29/39/19/335293919.db2.gz UTCYOOLCPPIJLE-FZMZJTMJSA-N -1 3 284.359 3.090 20 0 CGADHM CCCN(C[C@@H]1CCCCO1)[C@H](C)c1ccc(C(=O)[O-])o1 ZINC000577521643 335364427 /nfs/dbraw/zinc/36/44/27/335364427.db2.gz LMTGYAOUXRBWBJ-OLZOCXBDSA-N -1 3 295.379 3.320 20 0 CGADHM Cc1csc([N-]C(=O)c2c(F)c(F)cc(F)c2F)n1 ZINC000177554589 335374348 /nfs/dbraw/zinc/37/43/48/335374348.db2.gz DATIWGXNIMHFQX-UHFFFAOYSA-N -1 3 290.241 3.260 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2c[nH]nc2-c2ccccc2)c1 ZINC000179905301 335530855 /nfs/dbraw/zinc/53/08/55/335530855.db2.gz JWGIFPASCUCDFR-UHFFFAOYSA-N -1 3 293.326 3.343 20 0 CGADHM c1cc(-c2noc([C@@H]3CC34CCCC4)n2)cc2n[n-]nc12 ZINC000351468668 335615949 /nfs/dbraw/zinc/61/59/49/335615949.db2.gz XQUGNSBQLUSLNW-JTQLQIEISA-N -1 3 281.319 3.056 20 0 CGADHM Cc1ccc(C(=O)N[C@H]2CCC[C@H](F)C2)c([O-])c1C ZINC000579358793 335739474 /nfs/dbraw/zinc/73/94/74/335739474.db2.gz YRMBWANFKNKXCV-RYUDHWBXSA-N -1 3 265.328 3.020 20 0 CGADHM CC(C)(C)C=Cc1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000579663055 335840548 /nfs/dbraw/zinc/84/05/48/335840548.db2.gz WIPOXMAWKMQYPK-VOTSOKGWSA-N -1 3 269.308 3.067 20 0 CGADHM COc1cc(CN2CC[C@H](C)C[C@@H]2C(=O)[O-])ccc1Cl ZINC000581554159 336102062 /nfs/dbraw/zinc/10/20/62/336102062.db2.gz VUWSINKYKXQVRM-GXFFZTMASA-N -1 3 297.782 3.034 20 0 CGADHM CCc1oc(C(=O)[O-])cc1CN1C[C@@H](C)CC[C@H]1C ZINC000581949191 336175066 /nfs/dbraw/zinc/17/50/66/336175066.db2.gz SAFLSHKOLRDKLR-WDEREUQCSA-N -1 3 265.353 3.161 20 0 CGADHM C[C@H]1C[C@H](C)N(C(=O)c2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000621878964 500940762 /nfs/dbraw/zinc/94/07/62/500940762.db2.gz GRQGMAJBWJXJTJ-IUCAKERBSA-N -1 3 287.281 3.282 20 0 CGADHM C[C@H]1CC[C@@](CNCc2cc(F)ccc2F)(CC(=O)[O-])C1 ZINC000426638319 533728109 /nfs/dbraw/zinc/72/81/09/533728109.db2.gz PUQFMYOXDLKKGE-ZBEGNZNMSA-N -1 3 297.345 3.336 20 0 CGADHM C[C@H](CC(F)F)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000412219326 533750000 /nfs/dbraw/zinc/75/00/00/533750000.db2.gz TUVBMDUTOBLXCS-ZCFIWIBFSA-N -1 3 263.671 3.275 20 0 CGADHM C[C@H](NC(=O)c1ccc(O)cc1[O-])c1ccccc1Cl ZINC000192719083 533755050 /nfs/dbraw/zinc/75/50/50/533755050.db2.gz VHKUKUMARQOIIK-VIFPVBQESA-N -1 3 291.734 3.242 20 0 CGADHM Cc1ccc(CC[C@H](C)NC(=O)c2ccc([O-])c(C)c2)o1 ZINC000436936956 533828057 /nfs/dbraw/zinc/82/80/57/533828057.db2.gz GWCBIAQAKQWKTQ-LBPRGKRZSA-N -1 3 287.359 3.353 20 0 CGADHM Cc1ccc(CN(C)C(=O)Cc2ccc([O-])c(F)c2)s1 ZINC000448899231 533855329 /nfs/dbraw/zinc/85/53/29/533855329.db2.gz KQWVXSPKWILNQP-UHFFFAOYSA-N -1 3 293.363 3.102 20 0 CGADHM Cc1cc(-c2noc(-c3ccccc3[O-])n2)cc2[nH]cnc21 ZINC000436932411 534000858 /nfs/dbraw/zinc/00/08/58/534000858.db2.gz PGZHLGKKXCRADA-UHFFFAOYSA-N -1 3 292.298 3.294 20 0 CGADHM Cc1ccc(CNCC[C@@H](Cc2ccccc2)C(=O)[O-])o1 ZINC000426664587 534059814 /nfs/dbraw/zinc/05/98/14/534059814.db2.gz SBOBXIJBGMXXPN-HNNXBMFYSA-N -1 3 287.359 3.011 20 0 CGADHM Cc1ccc(-c2cc(C(=O)Nc3cc(C)cc(C)n3)n[n-]2)o1 ZINC000178685463 534180633 /nfs/dbraw/zinc/18/06/33/534180633.db2.gz JAUWOGQJQQWLTQ-UHFFFAOYSA-N -1 3 296.330 3.242 20 0 CGADHM Cc1ccc(-c2cc(C(=O)Nc3cc(C)cc(C)n3)[n-]n2)o1 ZINC000178685463 534180642 /nfs/dbraw/zinc/18/06/42/534180642.db2.gz JAUWOGQJQQWLTQ-UHFFFAOYSA-N -1 3 296.330 3.242 20 0 CGADHM COC(=O)c1cnc(SCc2cccc(C(F)F)c2)[n-]1 ZINC000355956734 534307387 /nfs/dbraw/zinc/30/73/87/534307387.db2.gz XZGLEPJHUHEGJQ-UHFFFAOYSA-N -1 3 298.314 3.426 20 0 CGADHM CC(C)N(C)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000093928212 519604399 /nfs/dbraw/zinc/60/43/99/519604399.db2.gz BCKVAFJLWDGTQJ-UHFFFAOYSA-N -1 3 283.371 3.463 20 0 CGADHM Cc1ccc2c(c1)[C@H](NC(=O)c1ccc(O)cc1[O-])CCC2 ZINC000436732175 534449266 /nfs/dbraw/zinc/44/92/66/534449266.db2.gz PDXMZGUWIARWQW-MRXNPFEDSA-N -1 3 297.354 3.214 20 0 CGADHM O=C(Nc1ncccc1[O-])c1ccc(F)c2ccccc12 ZINC000358931942 534474313 /nfs/dbraw/zinc/47/43/13/534474313.db2.gz JRGIDCQNIJVNDI-UHFFFAOYSA-N -1 3 282.274 3.332 20 0 CGADHM CCCN(CC(=O)[O-])[C@H](C)c1ccccc1Cl ZINC000086775779 521562906 /nfs/dbraw/zinc/56/29/06/521562906.db2.gz GGGQHLBFDXVXTH-SNVBAGLBSA-N -1 3 255.745 3.198 20 0 CGADHM Cc1cccc(C(=O)N[C@@H](C)c2ccc3n[nH]cc3c2)c1[O-] ZINC000436696533 534617127 /nfs/dbraw/zinc/61/71/27/534617127.db2.gz HRIDNZSYYMNZAZ-NSHDSACASA-N -1 3 295.342 3.068 20 0 CGADHM Cc1cccc(C(=O)Nc2cc(C3CCCC3)nn2C)c1[O-] ZINC000436708991 534625264 /nfs/dbraw/zinc/62/52/64/534625264.db2.gz ZLZFBPIMRPZOHW-UHFFFAOYSA-N -1 3 299.374 3.344 20 0 CGADHM O=C(c1ccccc1[O-])N1CCS[C@@H](c2ccccc2)C1 ZINC000365387767 534749058 /nfs/dbraw/zinc/74/90/58/534749058.db2.gz FKMBEQSGTTWJGM-MRXNPFEDSA-N -1 3 299.395 3.323 20 0 CGADHM O=C(c1ccccc1[O-])N1CCC[C@H]1Cc1ccc(F)cc1 ZINC000368762827 534749662 /nfs/dbraw/zinc/74/96/62/534749662.db2.gz WMHDVBIOYCYHEN-HNNXBMFYSA-N -1 3 299.345 3.379 20 0 CGADHM COc1ccc(Cl)cc1C[S@](=O)c1ccc([O-])cc1 ZINC000108084226 524213990 /nfs/dbraw/zinc/21/39/90/524213990.db2.gz FPKGVDLIRCXSAM-LJQANCHMSA-N -1 3 296.775 3.362 20 0 CGADHM C[C@H](N[C@@H](C)c1cc(F)c(Cl)cc1Cl)C(=O)[O-] ZINC000049357497 525529374 /nfs/dbraw/zinc/52/93/74/525529374.db2.gz IUVHLYWITKVTQD-WDSKDSINSA-N -1 3 280.126 3.256 20 0 CGADHM CC(C)(C)c1nc(C=Cc2cncc(F)c2)cc(=O)[n-]1 ZINC000414061811 526874398 /nfs/dbraw/zinc/87/43/98/526874398.db2.gz BCJMJTOHIYLBAZ-SNAWJCMRSA-N -1 3 273.311 3.184 20 0 CGADHM CC(=O)c1ccc(C(=O)N(C)[C@@H]2CCC[C@H](C)C2)cc1[O-] ZINC000411358692 527235940 /nfs/dbraw/zinc/23/59/40/527235940.db2.gz TTYWWDYNJGUYPA-SMDDNHRTSA-N -1 3 289.375 3.246 20 0 CGADHM CC(C)(c1nc(-c2ccc([O-])cc2)no1)c1cccnc1 ZINC000436906228 527379500 /nfs/dbraw/zinc/37/95/00/527379500.db2.gz BIRKKRHVYAIIOI-UHFFFAOYSA-N -1 3 281.315 3.163 20 0 CGADHM CC(C)=CCC[C@@H](C)NC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000412387408 527415267 /nfs/dbraw/zinc/41/52/67/527415267.db2.gz WKAIKVXILIMXRL-GFCCVEGCSA-N -1 3 289.375 3.460 20 0 CGADHM CCCC(O)(CCC)CNC(=O)c1cc(CC)ccc1[O-] ZINC000440218593 528016705 /nfs/dbraw/zinc/01/67/05/528016705.db2.gz UKCKBFBVVXYNEV-UHFFFAOYSA-N -1 3 293.407 3.016 20 0 CGADHM CC(C)c1ccc(C(=O)NC2(C(F)F)CC2)c([O-])c1 ZINC000436519846 528067094 /nfs/dbraw/zinc/06/70/94/528067094.db2.gz ZDHARVYEIPPCJA-UHFFFAOYSA-N -1 3 269.291 3.043 20 0 CGADHM CC(C)c1cccc(C(=O)Nc2ccccc2[O-])n1 ZINC000436748196 528161493 /nfs/dbraw/zinc/16/14/93/528161493.db2.gz DOZASZDPOFARNE-UHFFFAOYSA-N -1 3 256.305 3.163 20 0 CGADHM CCOc1cc(CN[C@@H](C)C(F)(F)F)cc(Cl)c1[O-] ZINC000425359206 528279401 /nfs/dbraw/zinc/27/94/01/528279401.db2.gz VPRYGFPBTITYSY-ZETCQYMHSA-N -1 3 297.704 3.485 20 0 CGADHM CCCCN(C(=O)c1c[n-]c2ccc(C)cc2c1=O)C1CC1 ZINC000359438768 528310469 /nfs/dbraw/zinc/31/04/69/528310469.db2.gz VMMMKCQSABONDQ-UHFFFAOYSA-N -1 3 298.386 3.241 20 0 CGADHM CCOc1ccccc1CCNC(=O)c1cccc(C)c1[O-] ZINC000436855917 528719461 /nfs/dbraw/zinc/71/94/61/528719461.db2.gz XXYVQXUVVNGWGX-UHFFFAOYSA-N -1 3 299.370 3.072 20 0 CGADHM CCS[C@@H]1CC[C@H](N(C)C(=O)c2ccc(C)cc2[O-])C1 ZINC000175393206 529221350 /nfs/dbraw/zinc/22/13/50/529221350.db2.gz ZSXNDIFQDZBXAQ-QWHCGFSZSA-N -1 3 293.432 3.447 20 0 CGADHM CC[C@H](C)[C@H](NC(=O)c1ccccc1[O-])C(F)(F)F ZINC000436998951 529256054 /nfs/dbraw/zinc/25/60/54/529256054.db2.gz CLZQNUQIZDPQMV-KWQFWETISA-N -1 3 275.270 3.099 20 0 CGADHM CC[C@H]1CO[C@@H](C)CN1C(=O)c1ccc(C(C)C)cc1[O-] ZINC000436587020 529309405 /nfs/dbraw/zinc/30/94/05/529309405.db2.gz CYWSXXJUFGLUQW-JSGCOSHPSA-N -1 3 291.391 3.155 20 0 CGADHM CC[C@@H](C)C[C@@H](C)NC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000412142841 529334569 /nfs/dbraw/zinc/33/45/69/529334569.db2.gz CJRREVRWLZVLMJ-GHMZBOCLSA-N -1 3 277.364 3.149 20 0 CGADHM CC1(C)C[C@H]1NCc1cccc([O-])c1Br ZINC000315023666 534932871 /nfs/dbraw/zinc/93/28/71/534932871.db2.gz LOHPJHZEQWAKHM-SNVBAGLBSA-N -1 3 270.170 3.043 20 0 CGADHM CC(C)Oc1ccccc1CN1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000518373797 535060054 /nfs/dbraw/zinc/06/00/54/535060054.db2.gz AEKZGJGCAIBEDT-ZFWWWQNUSA-N -1 3 291.391 3.016 20 0 CGADHM CCc1cc(C(=O)N[C@H]2CCC(C)(C)C2)ccc1[O-] ZINC000486970365 536132402 /nfs/dbraw/zinc/13/24/02/536132402.db2.gz RDHDKPZVXSTAHQ-ZDUSSCGKSA-N -1 3 261.365 3.263 20 0 CGADHM Cc1ccc(-c2cc(C(=O)OC[C@@H]3CC=CCC3)[n-]n2)o1 ZINC000727633362 571758758 /nfs/dbraw/zinc/75/87/58/571758758.db2.gz IKWAPSDIZLQYTI-GFCCVEGCSA-N -1 3 286.331 3.491 20 0 CGADHM Cc1ccc(-c2cc(C(=O)OC[C@@H]3CC=CCC3)n[n-]2)o1 ZINC000727633362 571758761 /nfs/dbraw/zinc/75/87/61/571758761.db2.gz IKWAPSDIZLQYTI-GFCCVEGCSA-N -1 3 286.331 3.491 20 0 CGADHM C[C@@H]1CN(C([O-])=NOCc2ccccc2)c2ccccc21 ZINC000728751974 571817223 /nfs/dbraw/zinc/81/72/23/571817223.db2.gz HPYIFIATVUYTLN-CYBMUJFWSA-N -1 3 282.343 3.452 20 0 CGADHM C[C@@H]1CN(C(=O)[N-]OCc2ccccc2)c2ccccc21 ZINC000728751974 571817228 /nfs/dbraw/zinc/81/72/28/571817228.db2.gz HPYIFIATVUYTLN-CYBMUJFWSA-N -1 3 282.343 3.452 20 0 CGADHM CCN(C(=O)c1cc2occc2[n-]1)c1cccc(OC)c1 ZINC000750842988 572329119 /nfs/dbraw/zinc/32/91/19/572329119.db2.gz GKDPOARBBJYDLP-UHFFFAOYSA-N -1 3 284.315 3.436 20 0 CGADHM CCCC[C@H](CCC)OC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000730301409 572336375 /nfs/dbraw/zinc/33/63/75/572336375.db2.gz HOVYVZWWPFLGDL-ZDUSSCGKSA-N -1 3 294.395 3.244 20 0 CGADHM Cc1ccc(S[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)nc1 ZINC000737367842 572338657 /nfs/dbraw/zinc/33/86/57/572338657.db2.gz ADWUUBLEXISFMT-NSHDSACASA-N -1 3 297.387 3.423 20 0 CGADHM Cc1ccc(S[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000737367842 572338661 /nfs/dbraw/zinc/33/86/61/572338661.db2.gz ADWUUBLEXISFMT-NSHDSACASA-N -1 3 297.387 3.423 20 0 CGADHM Cc1ccccc1CNc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000737427206 572342239 /nfs/dbraw/zinc/34/22/39/572342239.db2.gz AKHCNPFJMUOGHI-UHFFFAOYSA-N -1 3 299.765 3.441 20 0 CGADHM Cc1ccccc1CNc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000737427206 572342245 /nfs/dbraw/zinc/34/22/45/572342245.db2.gz AKHCNPFJMUOGHI-UHFFFAOYSA-N -1 3 299.765 3.441 20 0 CGADHM Cc1occc1CNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737557954 572348488 /nfs/dbraw/zinc/34/84/88/572348488.db2.gz YEDZFTIBAXUGHD-UHFFFAOYSA-N -1 3 289.726 3.034 20 0 CGADHM Cc1occc1CNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737557954 572348493 /nfs/dbraw/zinc/34/84/93/572348493.db2.gz YEDZFTIBAXUGHD-UHFFFAOYSA-N -1 3 289.726 3.034 20 0 CGADHM COc1ccc([C@@H](NCc2cc(C)ccc2C)C(=O)[O-])cc1 ZINC000737971918 572363228 /nfs/dbraw/zinc/36/32/28/572363228.db2.gz LTELICKDMPDHPG-QGZVFWFLSA-N -1 3 299.370 3.228 20 0 CGADHM COc1ccc(Cl)cc1CNCc1ccc([O-])c(F)c1 ZINC000738440438 572376379 /nfs/dbraw/zinc/37/63/79/572376379.db2.gz TXNQPCQZSINLJE-UHFFFAOYSA-N -1 3 295.741 3.483 20 0 CGADHM Cc1cccc(CN(C)[C@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC000738709137 572389591 /nfs/dbraw/zinc/38/95/91/572389591.db2.gz RDKUMPDDHJAJCT-INIZCTEOSA-N -1 3 287.334 3.392 20 0 CGADHM C[C@@H](NCC1CCN(C(=O)[O-])CC1)c1ccc(F)cc1F ZINC000739037234 572415768 /nfs/dbraw/zinc/41/57/68/572415768.db2.gz WQTHTAOHSFJAEM-SNVBAGLBSA-N -1 3 298.333 3.005 20 0 CGADHM Cc1ccc(/C=C\S(=O)(=O)[N-]c2ccc(C)cn2)cc1 ZINC000731779870 572426655 /nfs/dbraw/zinc/42/66/55/572426655.db2.gz VDOFFNFOPMPNHN-KTKRTIGZSA-N -1 3 288.372 3.111 20 0 CGADHM O=C([O-])NCC1(NCc2ccc(Cl)cc2)CCCC1 ZINC000740611542 572448042 /nfs/dbraw/zinc/44/80/42/572448042.db2.gz CYRCFCROWVNGBB-UHFFFAOYSA-N -1 3 282.771 3.010 20 0 CGADHM [O-]c1ccc(CNC[C@@H](O)c2ccccc2F)cc1Cl ZINC000733325402 572556492 /nfs/dbraw/zinc/55/64/92/572556492.db2.gz LKMYHXDLEXCBHJ-OAHLLOKOSA-N -1 3 295.741 3.008 20 0 CGADHM O=c1ccnc(C=Cc2ccccc2C(F)(F)F)[n-]1 ZINC000742221515 572559086 /nfs/dbraw/zinc/55/90/86/572559086.db2.gz MPSFAZMNUAUMSY-WAYWQWQTSA-N -1 3 266.222 3.371 20 0 CGADHM CCCCCC[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000743290973 572646808 /nfs/dbraw/zinc/64/68/08/572646808.db2.gz PRQVIIAOSQCOMD-LLVKDONJSA-N -1 3 250.342 3.332 20 0 CGADHM Cc1nc(C(C)C)sc1C(=O)[N-]c1nc(C2CC2)no1 ZINC000734875769 572690287 /nfs/dbraw/zinc/69/02/87/572690287.db2.gz DZZVKODVBMXTSA-UHFFFAOYSA-N -1 3 292.364 3.088 20 0 CGADHM O=c1[n-]c(-c2cccc(Cl)n2)nc2ccc(F)cc12 ZINC000736724967 572807221 /nfs/dbraw/zinc/80/72/21/572807221.db2.gz IPOARDFKUKXHBN-UHFFFAOYSA-N -1 3 275.670 3.190 20 0 CGADHM O=C(Cc1csc2ccccc12)[N-]OCc1cccnc1 ZINC000746945089 572901520 /nfs/dbraw/zinc/90/15/20/572901520.db2.gz AJYXUUWUSIIOAQ-UHFFFAOYSA-N -1 3 298.367 3.087 20 0 CGADHM Clc1cnc([N-]c2ccn(-c3ccccc3)n2)nc1 ZINC000748275253 572971658 /nfs/dbraw/zinc/97/16/58/572971658.db2.gz STTSQVIXAUHHSM-UHFFFAOYSA-N -1 3 271.711 3.059 20 0 CGADHM CCC[C@H]1CCCC[C@@H]1[N-]C(=O)C(F)(F)C(F)F ZINC000749375163 572995556 /nfs/dbraw/zinc/99/55/56/572995556.db2.gz FASSTWVFIBGAOI-IUCAKERBSA-N -1 3 269.282 3.362 20 0 CGADHM O=c1[n-]c(Oc2cccc(F)c2)nc2ccccc21 ZINC000750530119 573145630 /nfs/dbraw/zinc/14/56/30/573145630.db2.gz FNUZVCZMQHMPIZ-UHFFFAOYSA-N -1 3 256.236 3.267 20 0 CGADHM CC1(C)CCCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000820594692 599037800 /nfs/dbraw/zinc/03/78/00/599037800.db2.gz BPKCUIFVYJBMAZ-UHFFFAOYSA-N -1 3 289.358 3.022 20 0 CGADHM CC1(C)CCCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000820594692 599037803 /nfs/dbraw/zinc/03/78/03/599037803.db2.gz BPKCUIFVYJBMAZ-UHFFFAOYSA-N -1 3 289.358 3.022 20 0 CGADHM CC[C@H](C)C[C@H](C)Nc1cccc(F)c1-c1nnn[n-]1 ZINC000820870648 599067235 /nfs/dbraw/zinc/06/72/35/599067235.db2.gz WSJGBFGEISUQEG-UWVGGRQHSA-N -1 3 277.347 3.242 20 0 CGADHM CC[C@H](C)C[C@H](C)Nc1cccc(F)c1-c1nn[n-]n1 ZINC000820870648 599067237 /nfs/dbraw/zinc/06/72/37/599067237.db2.gz WSJGBFGEISUQEG-UWVGGRQHSA-N -1 3 277.347 3.242 20 0 CGADHM CC[C@@H](C)C[C@H](C)Nc1cccc(F)c1-c1nnn[n-]1 ZINC000820870650 599067444 /nfs/dbraw/zinc/06/74/44/599067444.db2.gz WSJGBFGEISUQEG-ZJUUUORDSA-N -1 3 277.347 3.242 20 0 CGADHM CC[C@@H](C)C[C@H](C)Nc1cccc(F)c1-c1nn[n-]n1 ZINC000820870650 599067447 /nfs/dbraw/zinc/06/74/47/599067447.db2.gz WSJGBFGEISUQEG-ZJUUUORDSA-N -1 3 277.347 3.242 20 0 CGADHM CCOCCCS[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821377458 599224989 /nfs/dbraw/zinc/22/49/89/599224989.db2.gz CJAWAWOLRRYQFH-LLVKDONJSA-N -1 3 292.408 3.088 20 0 CGADHM CCOCCCS[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821377458 599224991 /nfs/dbraw/zinc/22/49/91/599224991.db2.gz CJAWAWOLRRYQFH-LLVKDONJSA-N -1 3 292.408 3.088 20 0 CGADHM Clc1ccc(-c2nnn[n-]2)c(NCC2CCCC2)c1 ZINC000737570949 599405228 /nfs/dbraw/zinc/40/52/28/599405228.db2.gz MUMAJPQPXWGCPL-UHFFFAOYSA-N -1 3 277.759 3.122 20 0 CGADHM Clc1ccc(-c2nn[n-]n2)c(NCC2CCCC2)c1 ZINC000737570949 599405230 /nfs/dbraw/zinc/40/52/30/599405230.db2.gz MUMAJPQPXWGCPL-UHFFFAOYSA-N -1 3 277.759 3.122 20 0 CGADHM CSCCO[N-]C(=O)CC1CCC(C(F)(F)F)CC1 ZINC000794182276 629519969 /nfs/dbraw/zinc/51/99/69/629519969.db2.gz APVXCSMQAVENOJ-UHFFFAOYSA-N -1 3 299.358 3.156 20 0 CGADHM C[C@@H]1CCC[C@H]1Nc1c(Cl)cccc1-c1nnn[n-]1 ZINC000820697947 599527803 /nfs/dbraw/zinc/52/78/03/599527803.db2.gz OHLCSUZCQHYAQW-LDYMZIIASA-N -1 3 277.759 3.121 20 0 CGADHM C[C@@H]1CCC[C@H]1Nc1c(Cl)cccc1-c1nn[n-]n1 ZINC000820697947 599527804 /nfs/dbraw/zinc/52/78/04/599527804.db2.gz OHLCSUZCQHYAQW-LDYMZIIASA-N -1 3 277.759 3.121 20 0 CGADHM C/C(=C\CN(Cc1ccc(Cl)cc1)C1CC1)C(=O)[O-] ZINC000825729981 601157829 /nfs/dbraw/zinc/15/78/29/601157829.db2.gz OYRUJKUMGRDSAF-DHZHZOJOSA-N -1 3 279.767 3.335 20 0 CGADHM Cc1[n-]n(Cc2cnc3ccccc3c2)c(=O)c1C(C)C ZINC000899353623 620649734 /nfs/dbraw/zinc/64/97/34/620649734.db2.gz UEQZDIXLDRFSFE-MRXNPFEDSA-N -1 3 281.359 3.225 20 0 CGADHM O=C([O-])c1ccc(CNCc2cc3ccccc3s2)o1 ZINC000756281680 602157802 /nfs/dbraw/zinc/15/78/02/602157802.db2.gz IWMBFWPLIQSUOP-UHFFFAOYSA-N -1 3 287.340 3.482 20 0 CGADHM Cc1c(NCCCCC(F)(F)F)cccc1-c1nnn[n-]1 ZINC000826242380 607686284 /nfs/dbraw/zinc/68/62/84/607686284.db2.gz MLZOUSULHMMIIX-UHFFFAOYSA-N -1 3 299.300 3.320 20 0 CGADHM Cc1c(NCCCCC(F)(F)F)cccc1-c1nn[n-]n1 ZINC000826242380 607686286 /nfs/dbraw/zinc/68/62/86/607686286.db2.gz MLZOUSULHMMIIX-UHFFFAOYSA-N -1 3 299.300 3.320 20 0 CGADHM C[C@@H](c1ccccc1)N(Cc1ccc(C(=O)[O-])[nH]1)C1CC1 ZINC000833547913 605104644 /nfs/dbraw/zinc/10/46/44/605104644.db2.gz GPILMHFVQZYRBD-LBPRGKRZSA-N -1 3 284.359 3.439 20 0 CGADHM CC(C)(NCc1ccc(C(=O)[O-])[nH]1)c1ccc(Cl)cc1 ZINC000833461497 605115169 /nfs/dbraw/zinc/11/51/69/605115169.db2.gz ZMVQBSYBIULROO-UHFFFAOYSA-N -1 3 292.766 3.391 20 0 CGADHM CC1(C)C[C@@H](NCc2ccoc2C(=O)[O-])c2ccccc21 ZINC000833557193 605118154 /nfs/dbraw/zinc/11/81/54/605118154.db2.gz PFDMSXBZFSIVFX-CQSZACIVSA-N -1 3 285.343 3.490 20 0 CGADHM CCc1noc(C)c1[C@@H](C)NCC(CC)(CC)NC(=O)[O-] ZINC000827662646 605181532 /nfs/dbraw/zinc/18/15/32/605181532.db2.gz GNZMOQFCWQSJOU-SNVBAGLBSA-N -1 3 297.399 3.022 20 0 CGADHM CN(Cc1ccc(NC(=O)[O-])nc1)[C@@H]1CCc2ccccc21 ZINC000833874709 605466825 /nfs/dbraw/zinc/46/68/25/605466825.db2.gz WZWVHQNGRPVDJQ-OAHLLOKOSA-N -1 3 297.358 3.291 20 0 CGADHM CC(C)CCN(C)Cc1cc(C(=O)[O-])ccc1F ZINC000062755852 605828845 /nfs/dbraw/zinc/82/88/45/605828845.db2.gz QUMHBAZNEHJKIP-UHFFFAOYSA-N -1 3 253.317 3.002 20 0 CGADHM Cc1ccc(NCc2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC000822259321 606632798 /nfs/dbraw/zinc/63/27/98/606632798.db2.gz UJKKXHVNLFDCCA-UHFFFAOYSA-N -1 3 299.765 3.441 20 0 CGADHM Cc1ccc(NCc2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC000822259321 606632799 /nfs/dbraw/zinc/63/27/99/606632799.db2.gz UJKKXHVNLFDCCA-UHFFFAOYSA-N -1 3 299.765 3.441 20 0 CGADHM CCN(Cc1cc(F)ccc1-c1nnn[n-]1)c1ccccc1 ZINC000821222635 607058676 /nfs/dbraw/zinc/05/86/76/607058676.db2.gz VTKBHPSBAZZGIK-UHFFFAOYSA-N -1 3 297.337 3.032 20 0 CGADHM CCN(Cc1cc(F)ccc1-c1nn[n-]n1)c1ccccc1 ZINC000821222635 607058678 /nfs/dbraw/zinc/05/86/78/607058678.db2.gz VTKBHPSBAZZGIK-UHFFFAOYSA-N -1 3 297.337 3.032 20 0 CGADHM C[C@H]1CCC[C@@H]1Nc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000824936872 608226858 /nfs/dbraw/zinc/22/68/58/608226858.db2.gz MPVDCPYACSAZAS-GWCFXTLKSA-N -1 3 294.362 3.015 20 0 CGADHM C[C@H]1CCC[C@@H]1Nc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000824936872 608226859 /nfs/dbraw/zinc/22/68/59/608226859.db2.gz MPVDCPYACSAZAS-GWCFXTLKSA-N -1 3 294.362 3.015 20 0 CGADHM CCc1ccccc1NCc1cccc(-c2nnn[n-]2)c1F ZINC000825727868 608478541 /nfs/dbraw/zinc/47/85/41/608478541.db2.gz BQIDFGKJOYSVCA-UHFFFAOYSA-N -1 3 297.337 3.180 20 0 CGADHM CCc1ccccc1NCc1cccc(-c2nn[n-]n2)c1F ZINC000825727868 608478542 /nfs/dbraw/zinc/47/85/42/608478542.db2.gz BQIDFGKJOYSVCA-UHFFFAOYSA-N -1 3 297.337 3.180 20 0 CGADHM Cc1ccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)cc1 ZINC000826291574 609161241 /nfs/dbraw/zinc/16/12/41/609161241.db2.gz LZQLKKMRJNAXMK-NSHDSACASA-N -1 3 297.337 3.487 20 0 CGADHM Cc1ccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)cc1 ZINC000826291574 609161242 /nfs/dbraw/zinc/16/12/42/609161242.db2.gz LZQLKKMRJNAXMK-NSHDSACASA-N -1 3 297.337 3.487 20 0 CGADHM C[C@H]1CN(Cc2cc(-c3nnn[n-]3)cs2)c2ccccc21 ZINC000824984961 609173565 /nfs/dbraw/zinc/17/35/65/609173565.db2.gz PVXCBUISWGYNTB-JTQLQIEISA-N -1 3 297.387 3.052 20 0 CGADHM C[C@H]1CN(Cc2cc(-c3nn[n-]n3)cs2)c2ccccc21 ZINC000824984961 609173567 /nfs/dbraw/zinc/17/35/67/609173567.db2.gz PVXCBUISWGYNTB-JTQLQIEISA-N -1 3 297.387 3.052 20 0 CGADHM CCc1cc(NCc2cc(-c3nnn[n-]3)cs2)ccc1C ZINC000825700707 609346559 /nfs/dbraw/zinc/34/65/59/609346559.db2.gz QBCQIIYWKBFDOK-UHFFFAOYSA-N -1 3 299.403 3.411 20 0 CGADHM CCc1cc(NCc2cc(-c3nn[n-]n3)cs2)ccc1C ZINC000825700707 609346560 /nfs/dbraw/zinc/34/65/60/609346560.db2.gz QBCQIIYWKBFDOK-UHFFFAOYSA-N -1 3 299.403 3.411 20 0 CGADHM Cc1ccc(-c2nnn[n-]2)cc1NCc1ccc(F)cc1C ZINC000826268939 609479524 /nfs/dbraw/zinc/47/95/24/609479524.db2.gz UEJJJQXEVWBXOQ-UHFFFAOYSA-N -1 3 297.337 3.235 20 0 CGADHM Cc1ccc(-c2nn[n-]n2)cc1NCc1ccc(F)cc1C ZINC000826268939 609479526 /nfs/dbraw/zinc/47/95/26/609479526.db2.gz UEJJJQXEVWBXOQ-UHFFFAOYSA-N -1 3 297.337 3.235 20 0 CGADHM O=c1cc(C=Cc2ccc(Cl)nc2)nc(C2CC2)[n-]1 ZINC000806564121 617741054 /nfs/dbraw/zinc/74/10/54/617741054.db2.gz JVILMGSWHBEBMC-ORCRQEGFSA-N -1 3 273.723 3.278 20 0 CGADHM CC(C)(CCC(=O)[O-])Nc1ccnc2ccccc21 ZINC000050196200 618071679 /nfs/dbraw/zinc/07/16/79/618071679.db2.gz SFMVGSDSNIFJDH-UHFFFAOYSA-N -1 3 258.321 3.290 20 0 CGADHM [O-]c1ccc(CN2CCOC[C@H]2c2ccccc2)cc1F ZINC000892119585 618541509 /nfs/dbraw/zinc/54/15/09/618541509.db2.gz FXYBEQJWHQQWHA-INIZCTEOSA-N -1 3 287.334 3.105 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])[C@@]12CCO[C@H]1CCCC2 ZINC000935016528 618719335 /nfs/dbraw/zinc/71/93/35/618719335.db2.gz KLDXFGJILJPGDC-ZFWWWQNUSA-N -1 3 295.766 3.333 20 0 CGADHM C[C@H](CNC(=O)c1cc([O-])ccc1Cl)C(C)(C)C ZINC000235451399 618794556 /nfs/dbraw/zinc/79/45/56/618794556.db2.gz XEKMLFPGRUALIY-SECBINFHSA-N -1 3 269.772 3.458 20 0 CGADHM Cc1ccc(CCCC(=O)[N-]OCC(C)C)s1 ZINC000153543779 618820784 /nfs/dbraw/zinc/82/07/84/618820784.db2.gz ZYPISESFTBYCGD-UHFFFAOYSA-N -1 3 255.383 3.083 20 0 CGADHM C[C@H](NCc1ncc(Cl)s1)c1cc([O-])cc(F)c1 ZINC000926830494 618921227 /nfs/dbraw/zinc/92/12/27/618921227.db2.gz VHZNFSGNUYQFAC-ZETCQYMHSA-N -1 3 286.759 3.492 20 0 CGADHM COc1cccc(C[C@@H](C)CC(=O)[N-]OC/C=C\Cl)c1 ZINC000936059658 618932777 /nfs/dbraw/zinc/93/27/77/618932777.db2.gz NTLBQHOBGTWPBQ-DJFZKKHWSA-N -1 3 297.782 3.064 20 0 CGADHM CCn1c2ccccc2nc1[C@@H](C)Nc1cc(=O)[n-]c(C)n1 ZINC000893191204 619023326 /nfs/dbraw/zinc/02/33/26/619023326.db2.gz KPBAFVSZYGAKSC-SNVBAGLBSA-N -1 3 297.362 3.033 20 0 CGADHM O=C(CCc1cccc(Cl)c1)[N-]OCCC(F)(F)F ZINC000162669475 619126159 /nfs/dbraw/zinc/12/61/59/619126159.db2.gz ZQEPVNFYMOXAJJ-UHFFFAOYSA-N -1 3 295.688 3.273 20 0 CGADHM Cc1ccc(CC(=O)[N-]O[C@H](C)c2cccc(C#N)c2)cc1 ZINC000194628676 619141922 /nfs/dbraw/zinc/14/19/22/619141922.db2.gz VZMCVJWAVWZPTB-CQSZACIVSA-N -1 3 294.354 3.218 20 0 CGADHM CCOc1cccc(CNCc2cc(C(=O)[O-])cs2)c1 ZINC000095004982 619291578 /nfs/dbraw/zinc/29/15/78/619291578.db2.gz BNFNCQPGPUPGCH-UHFFFAOYSA-N -1 3 291.372 3.135 20 0 CGADHM O=C(CCCCc1ccccc1)[N-]OCc1ccccn1 ZINC000909520012 619815313 /nfs/dbraw/zinc/81/53/13/619815313.db2.gz LTCZEPNGDGWSOX-UHFFFAOYSA-N -1 3 284.359 3.042 20 0 CGADHM CCCCc1ccc(CC(=O)[N-]OCc2ccccn2)cc1 ZINC000909528284 619882545 /nfs/dbraw/zinc/88/25/45/619882545.db2.gz RKRQMGWAMTVUMT-UHFFFAOYSA-N -1 3 298.386 3.215 20 0 CGADHM C[C@@H](CC(=O)[N-]OCc1ccccn1)C1CCCCC1 ZINC000909530891 619931343 /nfs/dbraw/zinc/93/13/43/619931343.db2.gz UKIPAZWPOWPWMR-ZDUSSCGKSA-N -1 3 276.380 3.236 20 0 CGADHM CSC1(c2noc(-c3ccc(C)cc3[O-])n2)CC1 ZINC000896781121 620059945 /nfs/dbraw/zinc/05/99/45/620059945.db2.gz JLLKLEMKMJYSHM-UHFFFAOYSA-N -1 3 262.334 3.103 20 0 CGADHM CCC1(C(=O)[N-]OCc2ccccn2)CCC(F)(F)CC1 ZINC000909547252 620087883 /nfs/dbraw/zinc/08/78/83/620087883.db2.gz YBPMDWLRBNYGGC-UHFFFAOYSA-N -1 3 298.333 3.235 20 0 CGADHM C[C@H]1C[C@H](C(=O)[O-])CN(Cc2cc(F)cc(Cl)c2)C1 ZINC000263099205 620291574 /nfs/dbraw/zinc/29/15/74/620291574.db2.gz WHNGDFZCARYQOV-ONGXEEELSA-N -1 3 285.746 3.022 20 0 CGADHM CCN(Cc1cccc(C(=O)[O-])c1)[C@@H](C)c1cccnc1 ZINC000263378186 620314463 /nfs/dbraw/zinc/31/44/63/620314463.db2.gz BBHMNSCDWCUTHI-ZDUSSCGKSA-N -1 3 284.359 3.363 20 0 CGADHM CCCCCCN([O-])C(=O)Nc1cnn(C2CCC2)c1 ZINC000898035355 620470904 /nfs/dbraw/zinc/47/09/04/620470904.db2.gz QPIVPRBMAZVKPE-UHFFFAOYSA-N -1 3 280.372 3.412 20 0 CGADHM O=C(Nc1cccc([O-])c1F)C1C[C@H]2CC[C@@H](C1)S2 ZINC000901244184 620845285 /nfs/dbraw/zinc/84/52/85/620845285.db2.gz QUIKWDYMWPZRLA-PBINXNQUSA-N -1 3 281.352 3.144 20 0 CGADHM O=C([O-])c1cccc(CN2CCC[C@H]2c2ccccc2)n1 ZINC000901417957 620881370 /nfs/dbraw/zinc/88/13/70/620881370.db2.gz RBYQDSLPSHCXBQ-INIZCTEOSA-N -1 3 282.343 3.117 20 0 CGADHM CCCc1ccc(CN(CC(=O)[O-])[C@@H](C)CC)s1 ZINC000901986759 621087135 /nfs/dbraw/zinc/08/71/35/621087135.db2.gz CEYUIUGGVDWUIX-NSHDSACASA-N -1 3 269.410 3.386 20 0 CGADHM C[C@H](N[C@@H](c1ccco1)c1ccccc1)[C@H]1C[C@H]1C(=O)[O-] ZINC000902083730 621129954 /nfs/dbraw/zinc/12/99/54/621129954.db2.gz ZYEGZQMPRKSULF-ADSMDIBLSA-N -1 3 285.343 3.068 20 0 CGADHM O=C([O-])c1occc1CN[C@H]1CCc2c1cccc2Cl ZINC000902177581 621176573 /nfs/dbraw/zinc/17/65/73/621176573.db2.gz ZXXBAGRQCLVKII-ZDUSSCGKSA-N -1 3 291.734 3.408 20 0 CGADHM Cc1cccc([C@H](C)NCc2ccoc2C(=O)[O-])c1C ZINC000902272695 621236940 /nfs/dbraw/zinc/23/69/40/621236940.db2.gz XCEQXGKXIITJKV-LBPRGKRZSA-N -1 3 273.332 3.445 20 0 CGADHM COC[C@@H](N[C@@H](C)CCCC(C)(C)C(=O)[O-])c1ccco1 ZINC000902273635 621237407 /nfs/dbraw/zinc/23/74/07/621237407.db2.gz SLBAAKLTXTZWJS-QWHCGFSZSA-N -1 3 297.395 3.226 20 0 CGADHM Cc1cccc2c1CCC[C@@H]2NCc1cccc(C(=O)[O-])n1 ZINC000902466718 621338644 /nfs/dbraw/zinc/33/86/44/621338644.db2.gz SELJLYIZXFUOQF-INIZCTEOSA-N -1 3 296.370 3.255 20 0 CGADHM C[C@H](COCC1CCCCC1)NCc1ccoc1C(=O)[O-] ZINC000902572215 621376542 /nfs/dbraw/zinc/37/65/42/621376542.db2.gz KIJBOYWILQXQEE-GFCCVEGCSA-N -1 3 295.379 3.053 20 0 CGADHM CCc1ncc(CO[N-]C(=O)CCC2CCCCC2)o1 ZINC000902705182 621405140 /nfs/dbraw/zinc/40/51/40/621405140.db2.gz UUCLHXJGXNJOSV-UHFFFAOYSA-N -1 3 280.368 3.145 20 0 CGADHM CC[C@H](C)[C@H](C(=O)[O-])N1CCc2c3ccccc3[nH]c2C1 ZINC000903598738 621768374 /nfs/dbraw/zinc/76/83/74/621768374.db2.gz XUYINAISXIPNII-MEDUHNTESA-N -1 3 286.375 3.025 20 0 CGADHM CC[C@H](C)[C@@H](C(=O)[O-])N(C)Cc1c(F)cccc1Cl ZINC000903590832 621771158 /nfs/dbraw/zinc/77/11/58/621771158.db2.gz AOKHVRJISRLXSZ-ZANVPECISA-N -1 3 287.762 3.410 20 0 CGADHM Cc1cc([C@@H](C)N2CCC[C@@H](CF)C2)oc1C(=O)[O-] ZINC000903608569 621771616 /nfs/dbraw/zinc/77/16/16/621771616.db2.gz XAWWYEXSURKKDB-MNOVXSKESA-N -1 3 269.316 3.029 20 0 CGADHM CC[C@H](C)[C@H](C(=O)[O-])N1CCc2sc(Cl)cc2C1 ZINC000903596532 621774685 /nfs/dbraw/zinc/77/46/85/621774685.db2.gz PDURZKKTSPYVNU-QPUJVOFHSA-N -1 3 287.812 3.259 20 0 CGADHM COc1cc(CNCc2ccc(C(=O)[O-])s2)ccc1C ZINC000903677680 621787185 /nfs/dbraw/zinc/78/71/85/621787185.db2.gz YRZMQNQXFFFOBO-UHFFFAOYSA-N -1 3 291.372 3.053 20 0 CGADHM C[C@H]1CSCCCN1Cc1cc(C(=O)[O-])ccc1Cl ZINC000903957103 621836096 /nfs/dbraw/zinc/83/60/96/621836096.db2.gz JIIRDCPSFACWBC-JTQLQIEISA-N -1 3 299.823 3.366 20 0 CGADHM CC1(C)C(C)(C)C1(C)NCc1ccc(/C=C/C(=O)[O-])o1 ZINC000905810207 622113385 /nfs/dbraw/zinc/11/33/85/622113385.db2.gz IHSKQNMDMSMGMC-CMDGGOBGSA-N -1 3 277.364 3.292 20 0 CGADHM COc1ccc(C(=O)[O-])cc1CN1CCC[C@@H]2CCC[C@H]21 ZINC000228052834 623038226 /nfs/dbraw/zinc/03/82/26/623038226.db2.gz XPFNEVTWRPICPK-SWLSCSKDSA-N -1 3 289.375 3.158 20 0 CGADHM CCOc1ccc(-n2[n-]c(C)c(C(C)C)c2=O)cc1 ZINC000233804531 624647538 /nfs/dbraw/zinc/64/75/38/624647538.db2.gz RTNFEVYIIRQVKL-AWEZNQCLSA-N -1 3 260.337 3.080 20 0 CGADHM Cc1ccc(CN2CCCC[C@H]2CCC(=O)[O-])nc1Cl ZINC000873642121 634469669 /nfs/dbraw/zinc/46/96/69/634469669.db2.gz NPONUWMCTJIFJU-ZDUSSCGKSA-N -1 3 296.798 3.263 20 0 CGADHM Cc1cncc([C@@H]2CCCN2Cc2cccc(C(=O)[O-])c2)c1 ZINC000873649142 634469808 /nfs/dbraw/zinc/46/98/08/634469808.db2.gz RWMGALXZWPDRNQ-KRWDZBQOSA-N -1 3 296.370 3.425 20 0 CGADHM CC[C@@H](CC(C)C)C(=O)OCc1cc(=O)[n-]c(C2CC2)n1 ZINC000838250632 626206024 /nfs/dbraw/zinc/20/60/24/626206024.db2.gz AOUMLXNQWCGEHQ-NSHDSACASA-N -1 3 292.379 3.175 20 0 CGADHM COc1cc(C(=O)OCCC2CCCC2)cc(OC)c1[O-] ZINC000754274600 626565797 /nfs/dbraw/zinc/56/57/97/626565797.db2.gz CFTBGZSNMBUHMD-UHFFFAOYSA-N -1 3 294.347 3.147 20 0 CGADHM C/C(=C/c1ccc(Cl)cc1)C(=O)[N-]OCC(F)(F)F ZINC000759612783 626909148 /nfs/dbraw/zinc/90/91/48/626909148.db2.gz DPWYHDWTJGQHNW-VURMDHGXSA-N -1 3 293.672 3.353 20 0 CGADHM C/C(=C/c1cccc(Cl)c1)C(=O)[N-]OCC(F)(F)F ZINC000759616517 626909703 /nfs/dbraw/zinc/90/97/03/626909703.db2.gz QZWVUWHJJXORIN-YVMONPNESA-N -1 3 293.672 3.353 20 0 CGADHM CC(C)=C(C)C(=O)Nc1cc(Br)ccc1[O-] ZINC000759705351 626916621 /nfs/dbraw/zinc/91/66/21/626916621.db2.gz KACMQRJFWMKXEJ-UHFFFAOYSA-N -1 3 284.153 3.450 20 0 CGADHM CCc1ccc(C(=O)Nc2cccc(C(C)(C)O)c2)c([O-])c1 ZINC000760899993 627001299 /nfs/dbraw/zinc/00/12/99/627001299.db2.gz HWPLSMHNOPVRSN-UHFFFAOYSA-N -1 3 299.370 3.434 20 0 CGADHM CC(C)c1ccc(C(=O)N[C@H](C)c2ccc[nH]2)c([O-])c1 ZINC000760960701 627006570 /nfs/dbraw/zinc/00/65/70/627006570.db2.gz NWCZDXGUYYPQLR-LLVKDONJSA-N -1 3 272.348 3.335 20 0 CGADHM Cc1cc(=O)[n-]c(CN2CC[C@H](C)C[C@H]2c2ccco2)n1 ZINC000761887915 627072123 /nfs/dbraw/zinc/07/21/23/627072123.db2.gz RJDLNCKRZNBAGG-AAEUAGOBSA-N -1 3 287.363 3.057 20 0 CGADHM CCCCSCC(=O)Nc1cccc([O-])c1F ZINC000762313890 627105087 /nfs/dbraw/zinc/10/50/87/627105087.db2.gz ZCDMZQZWHGGSJO-UHFFFAOYSA-N -1 3 257.330 3.003 20 0 CGADHM CC1(C)Cc2cccc(C=Cc3nccc(=O)[n-]3)c2O1 ZINC000764434028 627207301 /nfs/dbraw/zinc/20/73/01/627207301.db2.gz IYWYIUGOVKCSQZ-SREVYHEPSA-N -1 3 268.316 3.066 20 0 CGADHM Cc1cc(C)c(/C=C\C(=O)[N-]OCC(F)(F)F)cc1C ZINC000766769191 627359224 /nfs/dbraw/zinc/35/92/24/627359224.db2.gz UVAWVLMLTJOKIP-PLNGDYQASA-N -1 3 287.281 3.235 20 0 CGADHM Cc1cc(Cl)ccc1CS(=O)(=O)c1cccc([O-])c1 ZINC000768757050 627496552 /nfs/dbraw/zinc/49/65/52/627496552.db2.gz KSDBPPQGJORQHU-UHFFFAOYSA-N -1 3 296.775 3.328 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2n[nH]c(C3CC3)c2C)c1 ZINC000769751359 627576010 /nfs/dbraw/zinc/57/60/10/627576010.db2.gz HCLSIKIVGMHZFE-UHFFFAOYSA-N -1 3 285.347 3.116 20 0 CGADHM O=C(Nc1ccc(O)cc1)c1cc2c(cc1[O-])CCCC2 ZINC000770000692 627597012 /nfs/dbraw/zinc/59/70/12/627597012.db2.gz WEXQDTJDJFJMOM-UHFFFAOYSA-N -1 3 283.327 3.229 20 0 CGADHM CC(=O)c1csc(C(=O)[N-]c2nc(C(C)C)ns2)c1 ZINC000874697014 634596040 /nfs/dbraw/zinc/59/60/40/634596040.db2.gz WTTUBGAUVXEHER-UHFFFAOYSA-N -1 3 295.389 3.178 20 0 CGADHM COc1cccc([C@H](C)CC(=O)[N-]Oc2ccccc2)c1 ZINC000773464627 627886676 /nfs/dbraw/zinc/88/66/76/627886676.db2.gz CZZCYHRLLSZROS-CYBMUJFWSA-N -1 3 285.343 3.299 20 0 CGADHM Cc1ccc2[nH]cc(CCC(=O)[N-]OC3CCCC3)c2c1 ZINC000774866276 628043598 /nfs/dbraw/zinc/04/35/98/628043598.db2.gz TUODLTHUVPOYGZ-UHFFFAOYSA-N -1 3 286.375 3.399 20 0 CGADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1cccc2ccsc21 ZINC000775689519 628126535 /nfs/dbraw/zinc/12/65/35/628126535.db2.gz MTSAPLMBWBFAIG-GFCCVEGCSA-N -1 3 292.360 3.481 20 0 CGADHM O=C([N-]O[C@@H]1CCCCO1)Nc1cccc2ccsc21 ZINC000775689519 628126541 /nfs/dbraw/zinc/12/65/41/628126541.db2.gz MTSAPLMBWBFAIG-GFCCVEGCSA-N -1 3 292.360 3.481 20 0 CGADHM O=c1ccnc(C=Cc2c(F)cccc2Cl)[n-]1 ZINC000776189896 628177930 /nfs/dbraw/zinc/17/79/30/628177930.db2.gz LLJYQNFSUJWHEN-PLNGDYQASA-N -1 3 250.660 3.145 20 0 CGADHM [O-]c1ccc(CNCc2ccc(Cl)cn2)cc1Cl ZINC000776254932 628185218 /nfs/dbraw/zinc/18/52/18/628185218.db2.gz OWVKJDSIFWKPLF-UHFFFAOYSA-N -1 3 283.158 3.384 20 0 CGADHM CC(C)[C@H]1C[C@@H](CC(=O)[N-]OC2CCCCC2)CCO1 ZINC000777962572 628315819 /nfs/dbraw/zinc/31/58/19/628315819.db2.gz YDUTWLNXAYCANX-DZGCQCFKSA-N -1 3 283.412 3.208 20 0 CGADHM O=C(Nc1cccc([O-])c1F)[C@@H](F)Cc1ccccc1 ZINC000778404487 628349259 /nfs/dbraw/zinc/34/92/59/628349259.db2.gz BNBHOBYLWMRBPT-NSHDSACASA-N -1 3 277.270 3.051 20 0 CGADHM O=C1[N-]C(=O)C(=Cc2ccc(F)c(Cl)c2Cl)S1 ZINC000874928282 634653713 /nfs/dbraw/zinc/65/37/13/634653713.db2.gz NNWBSQIAZONWMZ-ZZXKWVIFSA-N -1 3 292.118 3.456 20 0 CGADHM COCC1(N(C)C(=O)c2ccc(C(C)C)cc2[O-])CCC1 ZINC000874939231 634656082 /nfs/dbraw/zinc/65/60/82/634656082.db2.gz KOOGHXRUTNRPGH-UHFFFAOYSA-N -1 3 291.391 3.157 20 0 CGADHM Cc1noc(C2CC2)c1C(=O)[N-]c1c(F)cccc1F ZINC000783693777 628739986 /nfs/dbraw/zinc/73/99/86/628739986.db2.gz SXAGWGQHBPVHAV-UHFFFAOYSA-N -1 3 278.258 3.391 20 0 CGADHM Cc1ccc(-c2cc(C(=O)OCc3cncc(C)c3)n[n-]2)o1 ZINC000785666547 628878504 /nfs/dbraw/zinc/87/85/04/628878504.db2.gz KAQXVYLUHZVAAG-UHFFFAOYSA-N -1 3 297.314 3.039 20 0 CGADHM Cc1ccc(-c2cc(C(=O)OCc3cncc(C)c3)[n-]n2)o1 ZINC000785666547 628878508 /nfs/dbraw/zinc/87/85/08/628878508.db2.gz KAQXVYLUHZVAAG-UHFFFAOYSA-N -1 3 297.314 3.039 20 0 CGADHM C[C@H](OC(=O)c1cc2occc2[n-]1)c1cccnc1 ZINC000786030564 628908062 /nfs/dbraw/zinc/90/80/62/628908062.db2.gz SJUAVZZBVLBCOM-VIFPVBQESA-N -1 3 256.261 3.074 20 0 CGADHM C[C@@H](OC(=O)c1cc2occc2[n-]1)c1cccnc1 ZINC000786030563 628908145 /nfs/dbraw/zinc/90/81/45/628908145.db2.gz SJUAVZZBVLBCOM-SECBINFHSA-N -1 3 256.261 3.074 20 0 CGADHM Cc1cccc2nc(COC(=O)c3cc4occc4[n-]3)cn21 ZINC000786032877 628908630 /nfs/dbraw/zinc/90/86/30/628908630.db2.gz FJBCQGNTQFYASC-UHFFFAOYSA-N -1 3 295.298 3.074 20 0 CGADHM O=C(OCc1csc(C2CC2)n1)c1cc2occc2[n-]1 ZINC000786034868 628909631 /nfs/dbraw/zinc/90/96/31/628909631.db2.gz XUBQFUQHFGTMMK-UHFFFAOYSA-N -1 3 288.328 3.452 20 0 CGADHM O=C(OCCCF)c1cc2sccc2c([O-])c1 ZINC000786139410 628915901 /nfs/dbraw/zinc/91/59/01/628915901.db2.gz GMIOKBNIYALGTB-UHFFFAOYSA-N -1 3 254.282 3.123 20 0 CGADHM COCCO[N-]C(=O)C1(C2CCCCC2)CCCCC1 ZINC000790451812 629211410 /nfs/dbraw/zinc/21/14/10/629211410.db2.gz PLIGWICTISUCOM-UHFFFAOYSA-N -1 3 283.412 3.211 20 0 CGADHM C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000863001505 629457668 /nfs/dbraw/zinc/45/76/68/629457668.db2.gz HCVDYFFMTYEOKA-DRAKQNMHSA-N -1 3 299.370 3.087 20 0 CGADHM CSCCO[N-]C(=O)CCCC1CCCCC1 ZINC000794188369 629518455 /nfs/dbraw/zinc/51/84/55/629518455.db2.gz OZDDJVLJZBNVCN-UHFFFAOYSA-N -1 3 259.415 3.148 20 0 CGADHM CSCCO[N-]C(=O)C[C@@H]1C[C@@H](C)c2c1cccc2C ZINC000794196472 629521666 /nfs/dbraw/zinc/52/16/66/629521666.db2.gz XWGSVEQZGXYJRR-OLZOCXBDSA-N -1 3 293.432 3.387 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)C[C@@H](C)c1ccc(OC)cc1 ZINC000794855489 629589567 /nfs/dbraw/zinc/58/95/67/629589567.db2.gz WOUXUNSHBVJXEI-CHWSQXEVSA-N -1 3 279.380 3.283 20 0 CGADHM Cc1sc(C)c2c1[n-]c(-c1ccc3c(c1)CCO3)nc2=O ZINC000864354501 629817835 /nfs/dbraw/zinc/81/78/35/629817835.db2.gz GCQBTTUMJPDCJO-UHFFFAOYSA-N -1 3 298.367 3.203 20 0 CGADHM CC(C)[C@H](C(=O)[O-])[C@H](C)NCc1nc(C(C)(C)C)cs1 ZINC000864517731 629851028 /nfs/dbraw/zinc/85/10/28/629851028.db2.gz YJUSMECRXSALQV-GWCFXTLKSA-N -1 3 298.452 3.276 20 0 CGADHM O=C(OCCOc1ccccc1Cl)c1ccc([O-])cc1 ZINC000797545267 629957706 /nfs/dbraw/zinc/95/77/06/629957706.db2.gz DOUHIRIHUKRZRI-UHFFFAOYSA-N -1 3 292.718 3.281 20 0 CGADHM COc1ccc(Cl)cc1COC(=O)c1ccc([O-])cc1 ZINC000015645206 630124572 /nfs/dbraw/zinc/12/45/72/630124572.db2.gz QLSGYFKKPWEIOP-UHFFFAOYSA-N -1 3 292.718 3.411 20 0 CGADHM CCCCCCC(=O)[N-]OCc1ccccc1OC ZINC000799098917 630142869 /nfs/dbraw/zinc/14/28/69/630142869.db2.gz BRPPDJAVGOCJFU-UHFFFAOYSA-N -1 3 265.353 3.213 20 0 CGADHM CCC1(NC(=O)c2nnc3ccccc3c2[O-])CCCCC1 ZINC000836872800 634820832 /nfs/dbraw/zinc/82/08/32/634820832.db2.gz ZCMMUTXVVMOGSC-UHFFFAOYSA-N -1 3 299.374 3.178 20 0 CGADHM C[C@@H]1c2ccc(Cl)n2CCN1C(=O)c1ccccc1[O-] ZINC000808254538 630633156 /nfs/dbraw/zinc/63/31/56/630633156.db2.gz KSUAGIRESCGVDP-SNVBAGLBSA-N -1 3 290.750 3.064 20 0 CGADHM Cc1cc(C)cc(CCC(=O)[N-]OC/C=C/Cl)c1 ZINC000812406900 631246926 /nfs/dbraw/zinc/24/69/26/631246926.db2.gz FDMCSKTWVACIER-ZZXKWVIFSA-N -1 3 267.756 3.036 20 0 CGADHM CC(C)OCCO[N-]C(=O)C[C@H]1CCCCC1(C)C ZINC000812808432 631317753 /nfs/dbraw/zinc/31/77/53/631317753.db2.gz XTUAECHUTMVASP-CYBMUJFWSA-N -1 3 271.401 3.066 20 0 CGADHM COC(=O)c1ccc(C(=O)Nc2ccc3ccccc3c2)[n-]1 ZINC000814186672 631541735 /nfs/dbraw/zinc/54/17/35/631541735.db2.gz LYEOKADEAOMNRH-UHFFFAOYSA-N -1 3 294.310 3.207 20 0 CGADHM CCN(Cc1ccoc1)Cc1c(F)ccc([O-])c1F ZINC000816501080 631996431 /nfs/dbraw/zinc/99/64/31/631996431.db2.gz VKNWIJQMFFKSRV-UHFFFAOYSA-N -1 3 267.275 3.286 20 0 CGADHM O=C(c1cc([O-])c2ccccc2c1)N1Cc2ccncc2C1 ZINC000816582006 632017487 /nfs/dbraw/zinc/01/74/87/632017487.db2.gz RWNMSTMSAUANTR-UHFFFAOYSA-N -1 3 290.322 3.096 20 0 CGADHM Cc1cc(Cl)nc(CNCc2c(F)ccc([O-])c2F)c1 ZINC000816599810 632021656 /nfs/dbraw/zinc/02/16/56/632021656.db2.gz ZKHGYZXOQRSIPD-UHFFFAOYSA-N -1 3 298.720 3.317 20 0 CGADHM Cc1cnc([N-]C(=O)c2snc(Cl)c2Cl)s1 ZINC000816834276 632055517 /nfs/dbraw/zinc/05/55/17/632055517.db2.gz LVGZIPJHHUYMMA-UHFFFAOYSA-N -1 3 294.188 3.467 20 0 CGADHM O=C(/C=C\COc1ccccc1)Nc1cc(F)ccc1[O-] ZINC000816943569 632063575 /nfs/dbraw/zinc/06/35/75/632063575.db2.gz CZZGVWIYOVXTCE-DAXSKMNVSA-N -1 3 287.290 3.105 20 0 CGADHM Cc1ccc(OCCCC(=O)[N-]OCCC2CC2)cc1 ZINC000817387929 632135872 /nfs/dbraw/zinc/13/58/72/632135872.db2.gz KAGPWNGIYVFDAC-UHFFFAOYSA-N -1 3 277.364 3.002 20 0 CGADHM CCCC[C@H]1CCC[C@@H]1NC(=O)c1ccc(N)cc1[O-] ZINC000817933385 632235990 /nfs/dbraw/zinc/23/59/90/632235990.db2.gz CDQQKKROQWSNPX-FZMZJTMJSA-N -1 3 276.380 3.063 20 0 CGADHM CCC[C@H](Cc1ccccc1)NC(=O)c1ccc(N)cc1[O-] ZINC000817933926 632236609 /nfs/dbraw/zinc/23/66/09/632236609.db2.gz XLJSBHPIIHEPFU-OAHLLOKOSA-N -1 3 298.386 3.116 20 0 CGADHM CCC(F)(F)C(=O)[N-]Cc1ccc(C(F)(F)F)cc1 ZINC000820052334 632567076 /nfs/dbraw/zinc/56/70/76/632567076.db2.gz PGMJOYRWCBJDBM-UHFFFAOYSA-N -1 3 281.224 3.367 20 0 CGADHM CC(C)(F)CNC(=O)c1cc([O-])c2ccccc2c1 ZINC000869622664 633489442 /nfs/dbraw/zinc/48/94/42/633489442.db2.gz DLUFWCFJVAAMTB-UHFFFAOYSA-N -1 3 261.296 3.023 20 0 CGADHM CC1(C)[C@@H](CNCc2c(F)ccc([O-])c2F)C1(F)F ZINC000827511088 633495540 /nfs/dbraw/zinc/49/55/40/633495540.db2.gz NAESXGZLERRIJA-SNVBAGLBSA-N -1 3 277.261 3.051 20 0 CGADHM CC(=C\c1ccccc1)/C=C1\C(=O)[N-]C(=O)c2ccccc21 ZINC000208020661 633526341 /nfs/dbraw/zinc/52/63/41/633526341.db2.gz JLOXIDHNCMIOMA-YMGXUNRSSA-N -1 3 289.334 3.444 20 0 CGADHM C[C@H](NC(=O)Cc1ccc([O-])c(F)c1)[C@]12C[C@H]1CCCC2 ZINC000870528832 633598404 /nfs/dbraw/zinc/59/84/04/633598404.db2.gz LYEFWLOEIPQAHB-PPHDSNJXSA-N -1 3 291.366 3.159 20 0 CGADHM CSc1ccc([O-])c(C(=O)N[C@@H]2CC[C@H](SC)C2)c1 ZINC000828931702 633669806 /nfs/dbraw/zinc/66/98/06/633669806.db2.gz ZSONKMACGJEGCK-ZJUUUORDSA-N -1 3 297.445 3.128 20 0 CGADHM O=C(CCc1ccccc1)[N-]OCCCC(F)(F)F ZINC000871209855 633728152 /nfs/dbraw/zinc/72/81/52/633728152.db2.gz IUYXSKTXNHLMCX-UHFFFAOYSA-N -1 3 275.270 3.010 20 0 CGADHM C[C@@]1(C(=O)[N-]OCCCC(F)(F)F)CC=CCC1 ZINC000871217291 633731922 /nfs/dbraw/zinc/73/19/22/633731922.db2.gz RPTWZKILMIRYBK-LLVKDONJSA-N -1 3 265.275 3.123 20 0 CGADHM CSc1ccc([O-])c(C(=O)N2C[C@H](C)CC2(C)C)c1 ZINC000829514265 633745785 /nfs/dbraw/zinc/74/57/85/633745785.db2.gz TZAUBKZDUTUCCX-SNVBAGLBSA-N -1 3 279.405 3.375 20 0 CGADHM COC[C@@H](N[C@@H](C)c1cccc([O-])c1F)c1ccc(C)o1 ZINC000872041164 633963460 /nfs/dbraw/zinc/96/34/60/633963460.db2.gz QJFHIAJADMFXLU-WCQYABFASA-N -1 3 293.338 3.471 20 0 CGADHM C[C@H](N[C@@H](CO)c1ccc(F)cc1)c1cccc([O-])c1F ZINC000872046050 633969276 /nfs/dbraw/zinc/96/92/76/633969276.db2.gz UPPZESMMEIJXOR-HZMBPMFUSA-N -1 3 293.313 3.055 20 0 CGADHM C[C@@H](N[C@H]1CCCC1(F)F)c1cccc([O-])c1F ZINC000872069994 633992304 /nfs/dbraw/zinc/99/23/04/633992304.db2.gz BGLQUIKFIRYTES-KCJUWKMLSA-N -1 3 259.271 3.370 20 0 CGADHM CCn1cc([C@@H](C)N[C@H](C)c2cccc([O-])c2F)cn1 ZINC000872077701 634000389 /nfs/dbraw/zinc/00/03/89/634000389.db2.gz LIVWILDYMUGPKZ-GHMZBOCLSA-N -1 3 277.343 3.160 20 0 CGADHM Cc1ccc(CN2CCS[C@@H](C)[C@H]2C)cc1C(=O)[O-] ZINC000872159486 634069596 /nfs/dbraw/zinc/06/95/96/634069596.db2.gz UUWCTWRIYMZSDY-NEPJUHHUSA-N -1 3 279.405 3.019 20 0 CGADHM O=C(NCCC[C@H]1C=CCC1)c1c[n-]c2ccccc2c1=O ZINC000834338765 634146955 /nfs/dbraw/zinc/14/69/55/634146955.db2.gz TVDNZMXBAVBGIZ-ZDUSSCGKSA-N -1 3 296.370 3.004 20 0 CGADHM Cc1ccc(C(=O)Nc2ccc(O)cc2F)c([O-])c1C ZINC000124453752 634304968 /nfs/dbraw/zinc/30/49/68/634304968.db2.gz ICCPEXXYCFVAHO-UHFFFAOYSA-N -1 3 275.279 3.106 20 0 CGADHM CC(C)C[C@@H](C)CC(=O)OCc1cc(=O)[n-]c(C2CC2)n1 ZINC000837500746 634920271 /nfs/dbraw/zinc/92/02/71/634920271.db2.gz UCTGFWLMDNNAKE-LLVKDONJSA-N -1 3 292.379 3.175 20 0 CGADHM Nc1ccc(C(=O)N2CCC[C@H](C3CCC3)CC2)c([O-])c1 ZINC000877221111 635014317 /nfs/dbraw/zinc/01/43/17/635014317.db2.gz NNIMOSNZRRGQNU-ZDUSSCGKSA-N -1 3 288.391 3.017 20 0 CGADHM [O-]c1ccc(F)c(CN2CC[C@@H](C3CCC3)C2)c1F ZINC000840977979 635098739 /nfs/dbraw/zinc/09/87/39/635098739.db2.gz LGMUUQJJTQAQLR-LLVKDONJSA-N -1 3 267.319 3.292 20 0 CGADHM CC(=O)c1c(C)cccc1NCc1cc(=O)[n-]c(C2CC2)n1 ZINC000841701335 635215071 /nfs/dbraw/zinc/21/50/71/635215071.db2.gz GXIIEVQSYZGQLD-UHFFFAOYSA-N -1 3 297.358 3.183 20 0 CGADHM [O-]c1ccc(F)c(CN2CCC[C@]3(CC3(F)F)C2)c1F ZINC000846105794 636144187 /nfs/dbraw/zinc/14/41/87/636144187.db2.gz YKNWEGORBKFKGY-ZDUSSCGKSA-N -1 3 289.272 3.292 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2cccc(-c3cn[nH]c3)c2)c1 ZINC000129342580 636220124 /nfs/dbraw/zinc/22/01/24/636220124.db2.gz YUBTZBNGFKFDLS-UHFFFAOYSA-N -1 3 293.326 3.343 20 0 CGADHM COC(C)(C)c1nsc(Sc2ccccc2[O-])n1 ZINC000882666882 636379553 /nfs/dbraw/zinc/37/95/53/636379553.db2.gz RPRCCQFXGZCRMN-UHFFFAOYSA-N -1 3 282.390 3.276 20 0 CGADHM C=C/C=C\CCO[N-]C(=O)CCCc1ccccc1 ZINC000882966751 636481369 /nfs/dbraw/zinc/48/13/69/636481369.db2.gz NNMIBIGIFAEYGB-ARJAWSKDSA-N -1 3 259.349 3.189 20 0 CGADHM CCC1=C(C(=O)Nc2c([O-])cccc2Cl)CCCO1 ZINC000848139881 636533461 /nfs/dbraw/zinc/53/34/61/636533461.db2.gz GHJFVGHJPUIZSN-UHFFFAOYSA-N -1 3 281.739 3.459 20 0 CGADHM O=C(CCc1c(Cl)cccc1Cl)[N-]OCC1CC1 ZINC000848128490 636533573 /nfs/dbraw/zinc/53/35/73/636533573.db2.gz CKGIJQMACFVNFS-UHFFFAOYSA-N -1 3 288.174 3.384 20 0 CGADHM C[C@@H](c1cc2ccccc2o1)N1CCC[C@@H]1C(=O)[O-] ZINC000086726597 636783810 /nfs/dbraw/zinc/78/38/10/636783810.db2.gz NTALVNZOCHWCBX-CMPLNLGQSA-N -1 3 259.305 3.043 20 0 CGADHM O=C([N-]OC1CCCC1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000135723259 637160426 /nfs/dbraw/zinc/16/04/26/637160426.db2.gz RIICSUNQKIKETR-WDEREUQCSA-N -1 3 279.302 3.346 20 0 CGADHM O=C(C=CC1CCCCC1)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000854582218 638072646 /nfs/dbraw/zinc/07/26/46/638072646.db2.gz DZXIUOSAGJOHNK-RMKNXTFCSA-N -1 3 285.347 3.344 20 0 CGADHM CCC1(C(=O)[N-]OC2CCC2)CCC(F)(F)CC1 ZINC000854752514 638098237 /nfs/dbraw/zinc/09/82/37/638098237.db2.gz CRTJNYDREKRXIY-UHFFFAOYSA-N -1 3 261.312 3.192 20 0 CGADHM CC(C)(CC(=O)[N-]OCC1CCC1)c1ccccc1 ZINC000856346907 638347649 /nfs/dbraw/zinc/34/76/49/638347649.db2.gz UPFMKVVVXWIRGI-UHFFFAOYSA-N -1 3 261.365 3.202 20 0 CGADHM CC[C@H](CC(=O)[N-]OCC1CCC1)c1ccc(OC)cc1 ZINC000856348266 638348456 /nfs/dbraw/zinc/34/84/56/638348456.db2.gz BKNGBVRFHVGFJT-CQSZACIVSA-N -1 3 291.391 3.427 20 0 CGADHM Cc1cccc(Cl)c1CC(=O)[N-]OCC1CCC1 ZINC000856350681 638351571 /nfs/dbraw/zinc/35/15/71/638351571.db2.gz MRYDSZBSAUZEMC-UHFFFAOYSA-N -1 3 267.756 3.039 20 0 CGADHM CC(C)c1cc(CN[C@H](C)c2cc([O-])cc(F)c2)on1 ZINC000925066296 638446340 /nfs/dbraw/zinc/44/63/40/638446340.db2.gz CZKZRFUELRSMMV-SNVBAGLBSA-N -1 3 278.327 3.494 20 0 CGADHM Cc1cc(C)cc(NC(=O)c2[n-]cnc2C(F)(F)F)c1 ZINC000857430282 638505913 /nfs/dbraw/zinc/50/59/13/638505913.db2.gz DVCSVKKNYAZHGY-UHFFFAOYSA-N -1 3 283.253 3.298 20 0 CGADHM Cc1cc(C)cc(NC(=O)c2nc[n-]c2C(F)(F)F)c1 ZINC000857430282 638505919 /nfs/dbraw/zinc/50/59/19/638505919.db2.gz DVCSVKKNYAZHGY-UHFFFAOYSA-N -1 3 283.253 3.298 20 0 CGADHM O=C(C[C@H]1CCc2ccccc21)[N-]OCc1ccccc1 ZINC000115320731 638524598 /nfs/dbraw/zinc/52/45/98/638524598.db2.gz UEIJKCOATGJHTM-MRXNPFEDSA-N -1 3 281.355 3.355 20 0 CGADHM C[C@H](N[C@H]1CCCC1(F)F)c1cc([O-])cc(F)c1 ZINC000926428248 638770691 /nfs/dbraw/zinc/77/06/91/638770691.db2.gz IPRIDRIRKUNSGY-UFBFGSQYSA-N -1 3 259.271 3.370 20 0 CGADHM C[C@H](N[C@@H](C)c1cc([O-])cc(F)c1)c1cscn1 ZINC000926692505 638799304 /nfs/dbraw/zinc/79/93/04/638799304.db2.gz NDNTUQGOFRAMRF-IUCAKERBSA-N -1 3 266.341 3.400 20 0 CGADHM CSc1ccc(CCC(=O)[N-]OC/C=C/Cl)cc1 ZINC000936057855 639890568 /nfs/dbraw/zinc/89/05/68/639890568.db2.gz DJZZCFSIWVADSO-XNWCZRBMSA-N -1 3 285.796 3.141 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2cnc(Cl)cc2C)c1 ZINC000155573601 639940243 /nfs/dbraw/zinc/94/02/43/639940243.db2.gz XCMWWKLMRJZKGG-UHFFFAOYSA-N -1 3 276.723 3.310 20 0 CGADHM O=c1ccnc(C=Cc2cccc(-c3ccccn3)c2)[n-]1 ZINC000158864605 640020888 /nfs/dbraw/zinc/02/08/88/640020888.db2.gz YTUSOLOSZDTNDM-BQYQJAHWSA-N -1 3 275.311 3.002 20 0 CGADHM COc1cccc([C@H](C)CC(=O)[N-]OCc2ccccc2)c1 ZINC000084578900 640609230 /nfs/dbraw/zinc/60/92/30/640609230.db2.gz XJGDARTWWVIBJG-CQSZACIVSA-N -1 3 299.370 3.437 20 0 CGADHM CCSCC[C@@H](C)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC000314798126 963811569 /nfs/dbraw/zinc/81/15/69/963811569.db2.gz MPZRAUGSHWMDNS-RKDXNWHRSA-N -1 3 288.438 3.024 20 0 CGADHM O=c1cc(-c2nc3c(cccc3C(F)(F)F)[n-]2)cc[nH]1 ZINC001250534089 805682144 /nfs/dbraw/zinc/68/21/44/805682144.db2.gz VCHICYNYGGSXEI-UHFFFAOYSA-N -1 3 279.221 3.349 20 0 CGADHM COc1ccc2[n-]c(-c3cc4ccccc4[nH]c3=O)nc2c1 ZINC001250645375 805746866 /nfs/dbraw/zinc/74/68/66/805746866.db2.gz NHNDBZGBMNXIAA-UHFFFAOYSA-N -1 3 291.310 3.492 20 0 CGADHM CC(=O)c1ccc2c(c1)nc(-c1cc(F)ccc1[O-])n2C ZINC001250837888 805786351 /nfs/dbraw/zinc/78/63/51/805786351.db2.gz OLSRXLDUUPHFEV-UHFFFAOYSA-N -1 3 284.290 3.288 20 0 CGADHM CN(C)c1ccc2[nH]c(-c3ccc([O-])cc3F)nc2c1 ZINC001250846168 805788728 /nfs/dbraw/zinc/78/87/28/805788728.db2.gz QZIGRFWSWJYUIV-UHFFFAOYSA-N -1 3 271.295 3.141 20 0 CGADHM Cc1ncoc1-c1nc2c([n-]1)c(F)c(F)c(F)c2F ZINC001250928486 805802444 /nfs/dbraw/zinc/80/24/44/805802444.db2.gz SRSGCEXZDWHYKC-UHFFFAOYSA-N -1 3 271.173 3.083 20 0 CGADHM Cn1c(-c2cccc([O-])c2F)nc2ccc(F)c(F)c21 ZINC001251255755 805873713 /nfs/dbraw/zinc/87/37/13/805873713.db2.gz XOOUFVOXWQSTBE-UHFFFAOYSA-N -1 3 278.233 3.363 20 0 CGADHM [O-]c1cccnc1CNc1nccc2ccc(F)cc21 ZINC001158773932 806001737 /nfs/dbraw/zinc/00/17/37/806001737.db2.gz DVSPRHCHIFXHKG-UHFFFAOYSA-N -1 3 269.279 3.087 20 0 CGADHM Cc1nc(NCc2ncccc2[O-])c(Cl)cc1Cl ZINC001158774105 806002395 /nfs/dbraw/zinc/00/23/95/806002395.db2.gz JKNXATHYNUZIHD-UHFFFAOYSA-N -1 3 284.146 3.410 20 0 CGADHM Cc1ccc(C(=O)N2CC(c3ccc(F)cc3)C2)c([O-])c1 ZINC001159277942 806071441 /nfs/dbraw/zinc/07/14/41/806071441.db2.gz UTPYWBWYZQECAG-UHFFFAOYSA-N -1 3 285.318 3.079 20 0 CGADHM CCc1ccc(-c2nnc(-c3c([O-])cc(O)cc3O)o2)cc1 ZINC001253021276 806154133 /nfs/dbraw/zinc/15/41/33/806154133.db2.gz NEIJXXNGPURVJG-UHFFFAOYSA-N -1 3 298.298 3.083 20 0 CGADHM CCCCC[C@@H](O)CNc1nc2c(cccc2[O-])s1 ZINC001253522036 806233866 /nfs/dbraw/zinc/23/38/66/806233866.db2.gz JXFNVMJRMNYNJI-SNVBAGLBSA-N -1 3 280.393 3.355 20 0 CGADHM [O-]c1cncc(-c2nnc(Cc3ccccc3Cl)o2)c1 ZINC001254375039 806388906 /nfs/dbraw/zinc/38/89/06/806388906.db2.gz OAMVUNGFGAUSNB-UHFFFAOYSA-N -1 3 287.706 3.081 20 0 CGADHM CC1(C)CCC[C@@H](CNC(=O)c2ccccc2[O-])C1 ZINC001161931980 806485505 /nfs/dbraw/zinc/48/55/05/806485505.db2.gz FBMNMVIVGMURME-GFCCVEGCSA-N -1 3 261.365 3.338 20 0 CGADHM CCOc1ccc(NC(=O)c2cc(C)ccc2[O-])c(F)c1 ZINC001162211774 806528106 /nfs/dbraw/zinc/52/81/06/806528106.db2.gz GDRSLRZCUXYJEL-UHFFFAOYSA-N -1 3 289.306 3.491 20 0 CGADHM CC(C)(C)c1ccc(-c2nnc([C@H]3CCOC3)o2)c([O-])c1 ZINC001255622499 806682716 /nfs/dbraw/zinc/68/27/16/806682716.db2.gz GEGQQOVWCYUHQP-JTQLQIEISA-N -1 3 288.347 3.244 20 0 CGADHM Cc1ccccc1C1=N/C(=C/c2ccc([O-])c(F)c2)C(=O)O1 ZINC000157236398 799068344 /nfs/dbraw/zinc/06/83/44/799068344.db2.gz YJUSCUZRFKJMPR-NTEUORMPSA-N -1 3 297.285 3.184 20 0 CGADHM C[C@@H]1C[C@H](C(=O)[O-])CCN1Cc1ccc(Cl)cc1 ZINC000235360213 799143846 /nfs/dbraw/zinc/14/38/46/799143846.db2.gz QKXPALDWOQQQOI-ZYHUDNBSSA-N -1 3 267.756 3.025 20 0 CGADHM CCOc1cccc(-c2noc(-c3c([O-])cccc3O)n2)c1 ZINC000317723525 799244447 /nfs/dbraw/zinc/24/44/47/799244447.db2.gz KDJJEXDWLNDHPM-UHFFFAOYSA-N -1 3 298.298 3.214 20 0 CGADHM C[C@@H](CSc1ccc(F)cc1)N[C@@H]1[CH]CC=C1 ZINC001255739892 806731094 /nfs/dbraw/zinc/73/10/94/806731094.db2.gz MCTAVFRFVWRBTD-AAEUAGOBSA-N -1 3 250.362 3.429 20 0 CGADHM [O-]c1cccnc1CNc1ccc(Br)cc1 ZINC000381573087 799381614 /nfs/dbraw/zinc/38/16/14/799381614.db2.gz YJDGYXPMUIBHDF-UHFFFAOYSA-N -1 3 279.137 3.162 20 0 CGADHM O=C(c1cc([O-])ccc1Cl)N1CC[C@@H](C(F)(F)F)C1 ZINC000381850428 799388586 /nfs/dbraw/zinc/38/85/86/799388586.db2.gz SRWHWCRPVHZNEZ-SSDOTTSWSA-N -1 3 293.672 3.070 20 0 CGADHM Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)F)c2)cc1 ZINC000386224629 799433304 /nfs/dbraw/zinc/43/33/04/799433304.db2.gz KPHHWABPKPKHFE-UHFFFAOYSA-N -1 3 298.314 3.007 20 0 CGADHM Cc1cscc1CNCc1csc(C(=O)[O-])c1 ZINC000689146024 799762165 /nfs/dbraw/zinc/76/21/65/799762165.db2.gz QBQOTKPOQAMLEP-UHFFFAOYSA-N -1 3 267.375 3.106 20 0 CGADHM CC(C)CCO[C@@H]1CCN(Cc2ccc(C(=O)[O-])s2)C1 ZINC000701767119 799895950 /nfs/dbraw/zinc/89/59/50/799895950.db2.gz HPJDMFWKRAXFEI-GFCCVEGCSA-N -1 3 297.420 3.083 20 0 CGADHM C[C@@H]1c2sccc2CCN1C(=O)c1ccccc1[O-] ZINC000712276002 800081895 /nfs/dbraw/zinc/08/18/95/800081895.db2.gz GNXHBZSMXAVPRO-SNVBAGLBSA-N -1 3 273.357 3.213 20 0 CGADHM CC(F)(F)CCCOc1ccc2c([O-])coc2c1 ZINC000718654679 800218696 /nfs/dbraw/zinc/21/86/96/800218696.db2.gz QDEMLCLWQXNJDH-UHFFFAOYSA-N -1 3 256.248 3.076 20 0 CGADHM CCC1(CC)CCCN1C(=O)c1ccc(OC)cc1[O-] ZINC000721300726 800285464 /nfs/dbraw/zinc/28/54/64/800285464.db2.gz NJNWWVHOIWLIEE-UHFFFAOYSA-N -1 3 277.364 3.196 20 0 CGADHM CC(C)N(Cc1ccccc1)Cc1cncc(C(=O)[O-])c1 ZINC000721524593 800291975 /nfs/dbraw/zinc/29/19/75/800291975.db2.gz VOEUIORSGWEFRR-UHFFFAOYSA-N -1 3 284.359 3.190 20 0 CGADHM C[C@H]1C[C@@H]1c1nnc(-c2nc3cc(Cl)ccc3[n-]2)o1 ZINC001256627223 806930462 /nfs/dbraw/zinc/93/04/62/806930462.db2.gz WFFZIKSNWMNKDA-XPUUQOCRSA-N -1 3 274.711 3.390 20 0 CGADHM Cc1cn(CC(=O)Nc2cc(F)ccc2[O-])c2ccccc12 ZINC001116207809 802311533 /nfs/dbraw/zinc/31/15/33/802311533.db2.gz UIWYZVHITKSOOK-UHFFFAOYSA-N -1 3 298.317 3.433 20 0 CGADHM COc1ccc(C[C@@H](C)N(C)C(=O)c2ccccc2[O-])cc1 ZINC001116447983 802353620 /nfs/dbraw/zinc/35/36/20/802353620.db2.gz DOVFJXXCNKWSEP-CYBMUJFWSA-N -1 3 299.370 3.104 20 0 CGADHM C[C@H](CCNCc1csc(C(C)(C)C)n1)CC(=O)[O-] ZINC001116762792 802407437 /nfs/dbraw/zinc/40/74/37/802407437.db2.gz XSQSDUAHXWPKIC-SNVBAGLBSA-N -1 3 284.425 3.031 20 0 CGADHM O=C([O-])CCCCCCCNCc1nc2c(s1)CCC2 ZINC001116762375 802407692 /nfs/dbraw/zinc/40/76/92/802407692.db2.gz MRXCSVQGFQBHRR-UHFFFAOYSA-N -1 3 296.436 3.147 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N(C)Cc2cc3ccccc3[nH]2)n1 ZINC001116861249 802420929 /nfs/dbraw/zinc/42/09/29/802420929.db2.gz ZTUZFSMBMPHEOC-LBPRGKRZSA-N -1 3 296.374 3.165 20 0 CGADHM Cc1cc(F)ccc1Nc1cc(=O)[n-]c(C2CC2)n1 ZINC001173965888 808792350 /nfs/dbraw/zinc/79/23/50/808792350.db2.gz LWGJHPOSRCGHIW-UHFFFAOYSA-N -1 3 259.284 3.251 20 0 CGADHM O=C(NC[C@H]1CCC=CCCC1)c1ccccc1[O-] ZINC001180306834 809991470 /nfs/dbraw/zinc/99/14/70/809991470.db2.gz JTBIVYQCHLHDKV-ZDUSSCGKSA-N -1 3 259.349 3.259 20 0 CGADHM O=C([N-]c1c(F)cccc1F)c1ccc(F)s1 ZINC001124427377 803023794 /nfs/dbraw/zinc/02/37/94/803023794.db2.gz XMOHEYCDZMCOGQ-UHFFFAOYSA-N -1 3 257.236 3.418 20 0 CGADHM Cc1nc2ccc(-c3ccc(C)c(-c4nnn[n-]4)c3)cc2o1 ZINC001243961100 803103198 /nfs/dbraw/zinc/10/31/98/803103198.db2.gz DAGNUVRPEUXMEC-UHFFFAOYSA-N -1 3 291.314 3.292 20 0 CGADHM Cc1nc2ccc(-c3ccc(C)c(-c4nn[n-]n4)c3)cc2o1 ZINC001243961100 803103201 /nfs/dbraw/zinc/10/32/01/803103201.db2.gz DAGNUVRPEUXMEC-UHFFFAOYSA-N -1 3 291.314 3.292 20 0 CGADHM CCOC(=O)Cc1ccc(-c2c([O-])cccc2Cl)cn1 ZINC001244033842 803152965 /nfs/dbraw/zinc/15/29/65/803152965.db2.gz SWERDRMBGHZAKV-UHFFFAOYSA-N -1 3 291.734 3.213 20 0 CGADHM [O-]c1cccc(Cl)c1-c1cncc2cc(CO)oc21 ZINC001244034357 803153058 /nfs/dbraw/zinc/15/30/58/803153058.db2.gz ZDRGLJZLSMRUAA-UHFFFAOYSA-N -1 3 275.691 3.346 20 0 CGADHM O=c1c(-c2c([O-])cccc2Cl)cccn1-c1ccccn1 ZINC001244048925 803160319 /nfs/dbraw/zinc/16/03/19/803160319.db2.gz XJZWSMHHNVGIRA-UHFFFAOYSA-N -1 3 298.729 3.259 20 0 CGADHM NC(=O)Nc1ccccc1-c1c([O-])cccc1Cl ZINC001244049450 803160511 /nfs/dbraw/zinc/16/05/11/803160511.db2.gz BTSXQGUFPJSBII-UHFFFAOYSA-N -1 3 262.696 3.203 20 0 CGADHM COCOc1ccc(-c2ccc(Cl)cc2[O-])cn1 ZINC001244471652 803387684 /nfs/dbraw/zinc/38/76/84/803387684.db2.gz JYNULNFYDABHAV-UHFFFAOYSA-N -1 3 265.696 3.090 20 0 CGADHM Cc1c[nH]c2ncnc(-c3cc(C)c(F)c([O-])c3)c12 ZINC001244496152 803403741 /nfs/dbraw/zinc/40/37/41/803403741.db2.gz MIUJTDNDBMRAAY-UHFFFAOYSA-N -1 3 257.268 3.038 20 0 CGADHM Cc1cc(-c2nccc3cnccc32)cc([O-])c1F ZINC001244508682 803411837 /nfs/dbraw/zinc/41/18/37/803411837.db2.gz VZYUHVHJMSVOFD-UHFFFAOYSA-N -1 3 254.264 3.450 20 0 CGADHM COC(=O)c1ccc(F)c(-c2cc(C)c(F)c([O-])c2)c1 ZINC001244518391 803415033 /nfs/dbraw/zinc/41/50/33/803415033.db2.gz UYSYGNVHYLRWJS-UHFFFAOYSA-N -1 3 278.254 3.432 20 0 CGADHM CCOC(=O)c1ncccc1-c1cc(C)c(F)c([O-])c1 ZINC001244524314 803417169 /nfs/dbraw/zinc/41/71/69/803417169.db2.gz BBKAFXWJBMVDJY-UHFFFAOYSA-N -1 3 275.279 3.078 20 0 CGADHM COC(=O)Cc1ccc(-c2cc(C)c(F)c([O-])c2)cc1F ZINC001244524333 803417375 /nfs/dbraw/zinc/41/73/75/803417375.db2.gz BTTALAORJXRCQJ-UHFFFAOYSA-N -1 3 292.281 3.361 20 0 CGADHM CC(=O)Nc1ncc(C)cc1-c1cc(C)c(F)c([O-])c1 ZINC001244525378 803418291 /nfs/dbraw/zinc/41/82/91/803418291.db2.gz MQYKADVUATYDJL-UHFFFAOYSA-N -1 3 274.295 3.169 20 0 CGADHM Cc1nc2ccc(-c3cc(C)c([O-])c(Cl)c3)cn2n1 ZINC001244536982 803423860 /nfs/dbraw/zinc/42/38/60/803423860.db2.gz DFVSSUQTNDDOBY-UHFFFAOYSA-N -1 3 273.723 3.372 20 0 CGADHM [O-]c1ccc(Cl)c(-c2cc3nc[nH]c3cn2)c1F ZINC001244538001 803425010 /nfs/dbraw/zinc/42/50/10/803425010.db2.gz ILLAWWJOMJQRCI-UHFFFAOYSA-N -1 3 263.659 3.123 20 0 CGADHM Cc1cc(-c2cccc3ncnn32)cc(Cl)c1[O-] ZINC001244538271 803425046 /nfs/dbraw/zinc/42/50/46/803425046.db2.gz UHZAGFZRBCMRHR-UHFFFAOYSA-N -1 3 259.696 3.064 20 0 CGADHM CCn1cc(-c2cc(C)c([O-])c(Cl)c2)ccc1=O ZINC001244545929 803430496 /nfs/dbraw/zinc/43/04/96/803430496.db2.gz AXWNCTSYWJWUPC-UHFFFAOYSA-N -1 3 263.724 3.203 20 0 CGADHM CCCOc1cc(-c2ccc(=S)[n-]n2)c(Cl)cn1 ZINC001244606466 803462637 /nfs/dbraw/zinc/46/26/37/803462637.db2.gz DKZZRNCVIVJANI-UHFFFAOYSA-N -1 3 281.768 3.270 20 0 CGADHM COc1c([N-]c2noc(C(C)(C)C)n2)ccc(F)c1F ZINC001211887655 814950999 /nfs/dbraw/zinc/95/09/99/814950999.db2.gz QRXPWEQQAZZHSC-UHFFFAOYSA-N -1 3 283.278 3.398 20 0 CGADHM Fc1cc(Cl)c(-c2ccccc2-c2nnn[n-]2)cc1F ZINC001245016463 803611800 /nfs/dbraw/zinc/61/18/00/803611800.db2.gz BEHBLSYDZFKBRI-UHFFFAOYSA-N -1 3 292.676 3.465 20 0 CGADHM Fc1cc(Cl)c(-c2ccccc2-c2nn[n-]n2)cc1F ZINC001245016463 803611804 /nfs/dbraw/zinc/61/18/04/803611804.db2.gz BEHBLSYDZFKBRI-UHFFFAOYSA-N -1 3 292.676 3.465 20 0 CGADHM CCc1ccc(C(=O)NCC2CCCCC2)c([O-])c1 ZINC001135814336 803613807 /nfs/dbraw/zinc/61/38/07/803613807.db2.gz MTRUQQZXVXNROQ-UHFFFAOYSA-N -1 3 261.365 3.265 20 0 CGADHM O=c1c(-c2cc(Cl)ccc2[O-])cccn1-c1ccccn1 ZINC001245052453 803624232 /nfs/dbraw/zinc/62/42/32/803624232.db2.gz HWYHBHHLBYJNET-UHFFFAOYSA-N -1 3 298.729 3.259 20 0 CGADHM CN(CC1CC1)c1cncc(-c2ccc([O-])cc2Cl)n1 ZINC001245078329 803634028 /nfs/dbraw/zinc/63/40/28/803634028.db2.gz FASQEIJBSGCJOB-UHFFFAOYSA-N -1 3 289.766 3.349 20 0 CGADHM CC(C)Oc1ccc(-c2ccc([O-])cc2Cl)nn1 ZINC001245079219 803634657 /nfs/dbraw/zinc/63/46/57/803634657.db2.gz RBCMFJDTHXSKHY-UHFFFAOYSA-N -1 3 264.712 3.290 20 0 CGADHM CSc1cncc(-c2ccc([O-])cc2Cl)n1 ZINC001245079628 803635108 /nfs/dbraw/zinc/63/51/08/803635108.db2.gz STVGFDOVQDXJTD-UHFFFAOYSA-N -1 3 252.726 3.225 20 0 CGADHM Cc1cc(N2CCCC2)nc(-c2ccc([O-])cc2Cl)n1 ZINC001245080969 803635571 /nfs/dbraw/zinc/63/55/71/803635571.db2.gz SHQYJBHBQTUVPU-UHFFFAOYSA-N -1 3 289.766 3.411 20 0 CGADHM C/C(Cl)=C/C(=O)Nc1ccc(Br)cc1[O-] ZINC001136220212 803636715 /nfs/dbraw/zinc/63/67/15/803636715.db2.gz UBDUUCJTQBYPHO-XQRVVYSFSA-N -1 3 290.544 3.236 20 0 CGADHM COc1ccc(F)nc1-c1ccc([O-])cc1Cl ZINC001245084812 803637764 /nfs/dbraw/zinc/63/77/64/803637764.db2.gz YFNOYQYWTCKBGK-UHFFFAOYSA-N -1 3 253.660 3.255 20 0 CGADHM Fc1cc(C2=CC[C@H](N3CCOCC3)CC2)ccc1[S-] ZINC001245426456 803733594 /nfs/dbraw/zinc/73/35/94/803733594.db2.gz ITJIEQZWCKPZLO-AWEZNQCLSA-N -1 3 293.407 3.383 20 0 CGADHM O=C(c1cc2sccc2c([O-])c1)N1CC[C@H](C2CC2)C1 ZINC001137601685 803743655 /nfs/dbraw/zinc/74/36/55/803743655.db2.gz VWYRDGJMHARCDB-NSHDSACASA-N -1 3 287.384 3.479 20 0 CGADHM CNc1ccc(C(=O)Nc2cc(Cl)ccc2[O-])cc1F ZINC001137702206 803760389 /nfs/dbraw/zinc/76/03/89/803760389.db2.gz UBPSKBYQMTXMRJ-UHFFFAOYSA-N -1 3 294.713 3.479 20 0 CGADHM CCCCCC[C@H](O)CCC(=O)[N-]OC1CCCC1 ZINC001137828848 803777208 /nfs/dbraw/zinc/77/72/08/803777208.db2.gz TXBKDKSBOZIGMZ-ZDUSSCGKSA-N -1 3 271.401 3.088 20 0 CGADHM Cc1nc(Cl)c(Nc2ccc([O-])c(F)c2F)nc1C ZINC001212003080 814965758 /nfs/dbraw/zinc/96/57/58/814965758.db2.gz POLSCNCMFQLMJU-UHFFFAOYSA-N -1 3 285.681 3.474 20 0 CGADHM Cc1ccc2[nH]c(-c3cc(-c4nnn[n-]4)ccc3F)cc2c1 ZINC001245570538 803823348 /nfs/dbraw/zinc/82/33/48/803823348.db2.gz DWOWWYBJDUXATE-UHFFFAOYSA-N -1 3 293.305 3.463 20 0 CGADHM Cc1ccc2[nH]c(-c3cc(-c4nn[n-]n4)ccc3F)cc2c1 ZINC001245570538 803823354 /nfs/dbraw/zinc/82/33/54/803823354.db2.gz DWOWWYBJDUXATE-UHFFFAOYSA-N -1 3 293.305 3.463 20 0 CGADHM C[C@H](C(=O)Nc1ncccc1[O-])c1ccc(Cl)cc1 ZINC001138164783 803870234 /nfs/dbraw/zinc/87/02/34/803870234.db2.gz FZPJJMABIWIFCN-VIFPVBQESA-N -1 3 276.723 3.183 20 0 CGADHM COC(=O)c1cccc(-c2c([O-])cccc2F)c1C ZINC001245652782 803884936 /nfs/dbraw/zinc/88/49/36/803884936.db2.gz CEEDKMSEWIZURH-UHFFFAOYSA-N -1 3 260.264 3.293 20 0 CGADHM COC(=O)c1cc(-c2c([O-])cccc2F)c(OC)cc1F ZINC001245654983 803887243 /nfs/dbraw/zinc/88/72/43/803887243.db2.gz QXTPVGMBARAQFH-UHFFFAOYSA-N -1 3 294.253 3.133 20 0 CGADHM O=C1CC[C@@H](c2ccc(-c3c([O-])cccc3F)cc2)N1 ZINC001245655436 803887512 /nfs/dbraw/zinc/88/75/12/803887512.db2.gz BTWHJLRSPXJFPO-ZDUSSCGKSA-N -1 3 271.291 3.149 20 0 CGADHM COC(=O)c1c(F)cccc1-c1c([O-])cccc1F ZINC001245657159 803890810 /nfs/dbraw/zinc/89/08/10/803890810.db2.gz VAJYRJYQHKNULI-UHFFFAOYSA-N -1 3 264.227 3.124 20 0 CGADHM COC(=O)c1c[nH]c2c1cccc2-c1c([O-])cccc1F ZINC001245657181 803892248 /nfs/dbraw/zinc/89/22/48/803892248.db2.gz VYVSZCWXTZCKFO-UHFFFAOYSA-N -1 3 285.274 3.466 20 0 CGADHM Nc1ccc2cccc(-c3c([O-])cccc3F)c2n1 ZINC001245657291 803892363 /nfs/dbraw/zinc/89/23/63/803892363.db2.gz ZYTBNZVNMKLNEK-UHFFFAOYSA-N -1 3 254.264 3.329 20 0 CGADHM Cc1c(Cl)ccc(-c2cncc(-c3nnn[n-]3)c2)c1C ZINC001245689407 803910455 /nfs/dbraw/zinc/91/04/55/803910455.db2.gz JPKISRMIGFIUQL-UHFFFAOYSA-N -1 3 285.738 3.199 20 0 CGADHM Cc1c(Cl)ccc(-c2cncc(-c3nn[n-]n3)c2)c1C ZINC001245689407 803910461 /nfs/dbraw/zinc/91/04/61/803910461.db2.gz JPKISRMIGFIUQL-UHFFFAOYSA-N -1 3 285.738 3.199 20 0 CGADHM COc1ccc(-c2cc(=O)n(-c3cc(C)ccc3O)[n-]2)cc1 ZINC001245920954 804049606 /nfs/dbraw/zinc/04/96/06/804049606.db2.gz ZWGSKZUHFCPHQH-UHFFFAOYSA-N -1 3 296.326 3.268 20 0 CGADHM COc1cccc2c(C(=O)Nc3nc(C)ccc3[O-])coc21 ZINC001139461379 804190183 /nfs/dbraw/zinc/19/01/83/804190183.db2.gz LFITYEGIVVHFMJ-UHFFFAOYSA-N -1 3 298.298 3.103 20 0 CGADHM CC(C)Oc1cc(F)ccc1Nc1cc(=O)[n-]c(=S)[nH]1 ZINC001212289830 815002379 /nfs/dbraw/zinc/00/23/79/815002379.db2.gz HGDZYGSEGOYOAR-UHFFFAOYSA-N -1 3 295.339 3.141 20 0 CGADHM COCC[C@H]1CCCCN1Cc1cc(F)c([O-])c(F)c1 ZINC001140990276 804562769 /nfs/dbraw/zinc/56/27/69/804562769.db2.gz SGNOJENSEKVICR-GFCCVEGCSA-N -1 3 285.334 3.061 20 0 CGADHM CC(C)c1ccc(C(=O)Nc2cccc3n[nH]nc32)c([O-])c1 ZINC001141215390 804613009 /nfs/dbraw/zinc/61/30/09/804613009.db2.gz GPCUXSZCTSSOGP-UHFFFAOYSA-N -1 3 296.330 3.039 20 0 CGADHM C[C@H]1CC[C@@](C)(C(=O)[N-]OCCC2CC2)C1(C)C ZINC001141418140 804640023 /nfs/dbraw/zinc/64/00/23/804640023.db2.gz PESOXANLGOQCLN-NHYWBVRUSA-N -1 3 253.386 3.297 20 0 CGADHM C[C@@H](C(=O)Nc1c([O-])cccc1Cl)c1cccc(O)c1 ZINC001141469074 804643632 /nfs/dbraw/zinc/64/36/32/804643632.db2.gz IAVYSEHPJNHJNY-SECBINFHSA-N -1 3 291.734 3.493 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C ZINC001141518270 804649566 /nfs/dbraw/zinc/64/95/66/804649566.db2.gz KXONWTLCDBOCLU-XQQFMLRXSA-N -1 3 253.386 3.319 20 0 CGADHM CCN(CCOC)Cc1c(Cl)cc([O-])cc1Cl ZINC001142105480 804695240 /nfs/dbraw/zinc/69/52/40/804695240.db2.gz BOMOZPJJAILFQI-UHFFFAOYSA-N -1 3 278.179 3.167 20 0 CGADHM [O-]c1cc(Cl)c(CN2CCSCC2)c(Cl)c1 ZINC001142106125 804696300 /nfs/dbraw/zinc/69/63/00/804696300.db2.gz ZVRCHUFVQLVDPI-UHFFFAOYSA-N -1 3 278.204 3.248 20 0 CGADHM CN(Cc1ccncn1)Cc1c(Cl)cc([O-])cc1Cl ZINC001142122175 804696370 /nfs/dbraw/zinc/69/63/70/804696370.db2.gz NNJNJBGPYCSXSW-UHFFFAOYSA-N -1 3 298.173 3.121 20 0 CGADHM CN(Cc1cncnc1)Cc1c(Cl)cc([O-])cc1Cl ZINC001142122240 804696404 /nfs/dbraw/zinc/69/64/04/804696404.db2.gz QSBLPBOFOVCDCH-UHFFFAOYSA-N -1 3 298.173 3.121 20 0 CGADHM Cc1ccc(C)c(Nc2cc(F)cc(F)c2[O-])n1 ZINC001212479818 815034749 /nfs/dbraw/zinc/03/47/49/815034749.db2.gz TZNSZEOPQOKKGQ-UHFFFAOYSA-N -1 3 250.248 3.426 20 0 CGADHM [O-]c1c(F)cc(F)cc1Nc1cn2ccccc2n1 ZINC001212481736 815036314 /nfs/dbraw/zinc/03/63/14/815036314.db2.gz GYFBYMJBUSPVKC-UHFFFAOYSA-N -1 3 261.231 3.062 20 0 CGADHM Cn1nc2c(c1Nc1cc(F)cc(F)c1[O-])CCCC2 ZINC001212481893 815036577 /nfs/dbraw/zinc/03/65/77/815036577.db2.gz PGHQGXHDRTXSCN-UHFFFAOYSA-N -1 3 279.290 3.026 20 0 CGADHM O=C(CCCCC(=O)c1ccccc1)Nc1cncc([O-])c1 ZINC001143518204 804860039 /nfs/dbraw/zinc/86/00/39/804860039.db2.gz NOYFMNHOJWQAHG-UHFFFAOYSA-N -1 3 298.342 3.169 20 0 CGADHM CC(=O)c1cccc([O-])c1NC(=O)C[C@H]1C[C@@H]2CC[C@H]1C2 ZINC001144304649 804971914 /nfs/dbraw/zinc/97/19/14/804971914.db2.gz UJPKIYUXJJNBBJ-FRRDWIJNSA-N -1 3 287.359 3.360 20 0 CGADHM CCCN(Cc1c(F)cc([O-])cc1F)CC1CC1 ZINC001144541626 805002404 /nfs/dbraw/zinc/00/24/04/805002404.db2.gz ICWVJFMXVUVPDW-UHFFFAOYSA-N -1 3 255.308 3.292 20 0 CGADHM CC(C)[C@H]1CC[C@H](C(=O)Nc2cncc([O-])c2)CC1 ZINC001144644094 805020259 /nfs/dbraw/zinc/02/02/59/805020259.db2.gz RZWNHFAFXHFWOR-HAQNSBGRSA-N -1 3 262.353 3.188 20 0 CGADHM C[C@@H]1CCC[C@@H](C)N1Cc1cc(F)c([O-])cc1F ZINC001144647038 805022343 /nfs/dbraw/zinc/02/23/43/805022343.db2.gz WGXZWLUQDMSWFJ-NXEZZACHSA-N -1 3 255.308 3.433 20 0 CGADHM CN(Cc1cc(F)c([O-])cc1F)C[C@H]1CC1(C)C ZINC001144657746 805024603 /nfs/dbraw/zinc/02/46/03/805024603.db2.gz GKAPEHLFTPRSBU-SNVBAGLBSA-N -1 3 255.308 3.148 20 0 CGADHM CSc1cccnc1NC(=O)c1ccc(C)c(C)c1[O-] ZINC001144820117 805057491 /nfs/dbraw/zinc/05/74/91/805057491.db2.gz AHLIRSHSIHQTJA-UHFFFAOYSA-N -1 3 288.372 3.378 20 0 CGADHM Cc1nc2c(cccc2NC(=O)c2ccc(C)cc2[O-])o1 ZINC001148500896 805191610 /nfs/dbraw/zinc/19/16/10/805191610.db2.gz ZTJFSQBXKRRNSC-UHFFFAOYSA-N -1 3 282.299 3.403 20 0 CGADHM Cc1nc2ccccc2c(C(=O)N2CCC23CCCC3)c1[O-] ZINC001149199801 805224442 /nfs/dbraw/zinc/22/44/42/805224442.db2.gz URMZCWXRCMUYQX-UHFFFAOYSA-N -1 3 296.370 3.408 20 0 CGADHM [O-]c1ccc(-c2nc(-c3cccc(F)c3Cl)no2)nc1 ZINC001212558164 815068099 /nfs/dbraw/zinc/06/80/99/815068099.db2.gz UWCMEJNDFFXHLD-UHFFFAOYSA-N -1 3 291.669 3.297 20 0 CGADHM Cc1cccc(C)c1NC(=O)Cc1c([O-])cccc1F ZINC001250008442 805363748 /nfs/dbraw/zinc/36/37/48/805363748.db2.gz AGUPNSOWDRCSDW-UHFFFAOYSA-N -1 3 273.307 3.329 20 0 CGADHM O=c1cc(Nc2cc(Cl)c([O-])cc2F)cc[nH]1 ZINC001250020474 805371475 /nfs/dbraw/zinc/37/14/75/805371475.db2.gz LNEWXDFDZKBSPM-UHFFFAOYSA-N -1 3 254.648 3.029 20 0 CGADHM C/C(=C/c1ccco1)C(=O)Nc1cc(F)ccc1[O-] ZINC001153468693 805398476 /nfs/dbraw/zinc/39/84/76/805398476.db2.gz SHUFUSVVAMVKSM-CLFYSBASSA-N -1 3 261.252 3.166 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2ccnc3c(C)cccc23)n1 ZINC001154031720 805428446 /nfs/dbraw/zinc/42/84/46/805428446.db2.gz NEKJTSHAIDXUQZ-UHFFFAOYSA-N -1 3 293.326 3.205 20 0 CGADHM O=C(Nc1ccc2c(c1)N=NC2)c1ccc2[nH][n-]c(=O)c2c1 ZINC001154209921 805438779 /nfs/dbraw/zinc/43/87/79/805438779.db2.gz VJILIUBWZIZNTG-UHFFFAOYSA-N -1 3 293.286 3.118 20 0 CGADHM C[C@H](CC(=O)[N-]Oc1ccccc1F)c1ccccc1 ZINC001154215469 805440792 /nfs/dbraw/zinc/44/07/92/805440792.db2.gz IZTLCDSHYMNVCF-GFCCVEGCSA-N -1 3 273.307 3.430 20 0 CGADHM O=C(Nc1ccc(F)c([O-])c1)c1ccc2ccncc2c1 ZINC001154598665 805465894 /nfs/dbraw/zinc/46/58/94/805465894.db2.gz NZTSYAZBLOXEMB-UHFFFAOYSA-N -1 3 282.274 3.332 20 0 CGADHM COc1cncc(Nc2ccc(Cl)c([O-])c2)c1 ZINC001212589557 815078340 /nfs/dbraw/zinc/07/83/40/815078340.db2.gz RNQMEMBVRCCYIX-UHFFFAOYSA-N -1 3 250.685 3.193 20 0 CGADHM CCOC(=O)c1cccc(Nc2ccc(Cl)c([O-])c2)n1 ZINC001212589489 815078745 /nfs/dbraw/zinc/07/87/45/815078745.db2.gz OFZJGVMMUZNITM-UHFFFAOYSA-N -1 3 292.722 3.361 20 0 CGADHM Nc1nc2ccccc2n1-c1c(F)ccc([O-])c1Cl ZINC001250228153 805504606 /nfs/dbraw/zinc/50/46/06/805504606.db2.gz NMAKNYJLBKCFQP-UHFFFAOYSA-N -1 3 277.686 3.106 20 0 CGADHM O=C(Nc1ccc(F)c([O-])c1)c1ccc2cc[nH]c2c1F ZINC001154946676 805511358 /nfs/dbraw/zinc/51/13/58/805511358.db2.gz ZZJNUNVSPQOMTM-UHFFFAOYSA-N -1 3 288.253 3.404 20 0 CGADHM COc1cc([N-]c2cnns2)c(F)c(F)c1Cl ZINC001250262457 805531715 /nfs/dbraw/zinc/53/17/15/805531715.db2.gz NWYQMOHVCOFCOY-UHFFFAOYSA-N -1 3 277.683 3.222 20 0 CGADHM CCC[C@@H](C)CC[C@H](C)[NH2+]CCCCP(=O)([O-])[O-] ZINC001257468659 807171698 /nfs/dbraw/zinc/17/16/98/807171698.db2.gz QNZMREQODHHRIT-OLZOCXBDSA-N -1 3 279.361 3.139 20 0 CGADHM CC(C)CCc1nnc(-c2cnc(C(F)(F)F)[n-]2)o1 ZINC001258340110 807417416 /nfs/dbraw/zinc/41/74/16/807417416.db2.gz UPTHDAUWWOBCAF-UHFFFAOYSA-N -1 3 274.246 3.067 20 0 CGADHM CC(C)CCc1nnc(-c2c[n-]c(C(F)(F)F)n2)o1 ZINC001258340110 807417422 /nfs/dbraw/zinc/41/74/22/807417422.db2.gz UPTHDAUWWOBCAF-UHFFFAOYSA-N -1 3 274.246 3.067 20 0 CGADHM C[C@@H](Nc1[n-]c(=O)c(Cl)cc1Cl)c1cnccn1 ZINC001169512753 807653235 /nfs/dbraw/zinc/65/32/35/807653235.db2.gz ALBVNPVFTTZSIU-ZCFIWIBFSA-N -1 3 285.134 3.057 20 0 CGADHM CCCOc1ccccc1[N-]S(=O)(=O)C1CCCC1 ZINC001259801529 807685981 /nfs/dbraw/zinc/68/59/81/807685981.db2.gz IYSBIEMIGWLSNT-UHFFFAOYSA-N -1 3 283.393 3.160 20 0 CGADHM CC(=O)c1cc(C)ccc1[N-]S(=O)(=O)C1CCCCC1 ZINC001259816310 807689653 /nfs/dbraw/zinc/68/96/53/807689653.db2.gz XXRDXMUIOJSYEQ-UHFFFAOYSA-N -1 3 295.404 3.272 20 0 CGADHM Cc1cccc([N-]S(=O)(=O)Cc2ccccc2F)c1F ZINC001260627518 807697674 /nfs/dbraw/zinc/69/76/74/807697674.db2.gz YHKCWTJGNWYYKD-UHFFFAOYSA-N -1 3 297.326 3.215 20 0 CGADHM Cc1nc(C(C)(C)C)nc(NCc2ncccc2[O-])c1C ZINC001169730760 807699989 /nfs/dbraw/zinc/69/99/89/807699989.db2.gz HARQKWVLXNECAS-UHFFFAOYSA-N -1 3 286.379 3.104 20 0 CGADHM CC[C@@H](C)S(=O)(=O)[N-]c1cc2c(s1)CCCC2 ZINC001260727020 807700094 /nfs/dbraw/zinc/70/00/94/807700094.db2.gz KERPUEVZMAVXHO-SECBINFHSA-N -1 3 273.423 3.167 20 0 CGADHM CC1=Cc2cccc(NCc3ncccc3[O-])c2C1 ZINC001169731701 807700298 /nfs/dbraw/zinc/70/02/98/807700298.db2.gz DVISPEUTNPPKQY-UHFFFAOYSA-N -1 3 252.317 3.359 20 0 CGADHM [O-]c1cccnc1CNc1cncc(-c2ccccc2)c1 ZINC001169733281 807701072 /nfs/dbraw/zinc/70/10/72/807701072.db2.gz SJCHVQMMCGGUKY-UHFFFAOYSA-N -1 3 277.327 3.461 20 0 CGADHM Cc1c(F)nccc1Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001212840930 815151816 /nfs/dbraw/zinc/15/18/16/815151816.db2.gz OTOMWDPDFQUAER-UHFFFAOYSA-N -1 3 284.294 3.164 20 0 CGADHM CCCC1CCN(C(=O)c2ccc(C(C)=O)c([O-])c2)CC1 ZINC001261671296 807777494 /nfs/dbraw/zinc/77/74/94/807777494.db2.gz MMXHOQRSVLHJTG-UHFFFAOYSA-N -1 3 289.375 3.247 20 0 CGADHM Cc1cccc2nc([N-]c3cnn(C)c3C3CC3)oc21 ZINC001261849910 807793800 /nfs/dbraw/zinc/79/38/00/807793800.db2.gz SGJALAFEAXBFBL-UHFFFAOYSA-N -1 3 268.320 3.491 20 0 CGADHM CCCCCC[C@H](CC)[NH2+]CCCCP(=O)([O-])[O-] ZINC001170588991 807861891 /nfs/dbraw/zinc/86/18/91/807861891.db2.gz WFAWDXLKZSJYTD-ZDUSSCGKSA-N -1 3 279.361 3.283 20 0 CGADHM Cc1cc(F)c2[nH]ccc2c1Nc1cc(=O)[n-]c(=S)[nH]1 ZINC001212973290 815193240 /nfs/dbraw/zinc/19/32/40/815193240.db2.gz VNIVOHQGZIHMNM-UHFFFAOYSA-N -1 3 290.323 3.143 20 0 CGADHM COc1cccc(Nc2ncc(Br)cc2[O-])c1 ZINC001173824170 808690293 /nfs/dbraw/zinc/69/02/93/808690293.db2.gz FWGNQNCIQHEPFL-UHFFFAOYSA-N -1 3 295.136 3.302 20 0 CGADHM COc1cccc(Nc2cc(=O)n(-c3ccccc3)[n-]2)c1 ZINC001173824489 808691530 /nfs/dbraw/zinc/69/15/30/808691530.db2.gz ONMVBEBHMVHVFE-UHFFFAOYSA-N -1 3 281.315 3.330 20 0 CGADHM CN(C)C(=O)c1cccc(Nc2ccc(F)cc2F)c1[O-] ZINC001173928200 808767332 /nfs/dbraw/zinc/76/73/32/808767332.db2.gz OBQOPYYRCKYGTE-UHFFFAOYSA-N -1 3 292.285 3.116 20 0 CGADHM CC(=O)Nc1ccc(Nc2ncc(Cl)cc2[O-])cc1 ZINC001173975312 808800003 /nfs/dbraw/zinc/80/00/03/808800003.db2.gz TVGDXWZWTKABHE-UHFFFAOYSA-N -1 3 277.711 3.143 20 0 CGADHM CCOC(=O)c1cnoc1[N-]c1cnc2ccccc2c1 ZINC001174001396 808814181 /nfs/dbraw/zinc/81/41/81/808814181.db2.gz RPFCRVOWGPGLMO-UHFFFAOYSA-N -1 3 283.287 3.143 20 0 CGADHM O=c1cc(Nc2cncc3ccccc32)nc(C2CC2)[n-]1 ZINC001174098890 808864976 /nfs/dbraw/zinc/86/49/76/808864976.db2.gz XGNIQUASTQAZPW-UHFFFAOYSA-N -1 3 278.315 3.351 20 0 CGADHM CC(C)Oc1cccc(Nc2cc(=O)[n-]c(=S)[nH]2)c1 ZINC001174112215 808872217 /nfs/dbraw/zinc/87/22/17/808872217.db2.gz CZLNMAXICAAZAI-UHFFFAOYSA-N -1 3 277.349 3.002 20 0 CGADHM COc1cc(Nc2nc3c(cccc3[O-])s2)ccn1 ZINC001174305457 808944854 /nfs/dbraw/zinc/94/48/54/808944854.db2.gz KXJAPNVFCKADNT-UHFFFAOYSA-N -1 3 273.317 3.149 20 0 CGADHM Cn1cnc2ccc(Nc3ccc([O-])c(F)c3F)cc21 ZINC001174348003 808969393 /nfs/dbraw/zinc/96/93/93/808969393.db2.gz XFXDWQPJHADFOD-UHFFFAOYSA-N -1 3 275.258 3.301 20 0 CGADHM CCO[C@H](C)n1cc([N-]c2nnc(C(C)(C)C)s2)cn1 ZINC001174690402 809130708 /nfs/dbraw/zinc/13/07/08/809130708.db2.gz FYZAUHSKKFHNEO-SECBINFHSA-N -1 3 295.412 3.331 20 0 CGADHM Cc1ncc(Nc2ccc(Oc3cccnc3)cc2)c(=O)[n-]1 ZINC001174848848 809178009 /nfs/dbraw/zinc/17/80/09/809178009.db2.gz GRNNGTPFMJWDHG-UHFFFAOYSA-N -1 3 294.314 3.422 20 0 CGADHM CN(C)c1ccc(Nc2ccc([O-])c(F)c2F)cc1 ZINC001174880446 809187747 /nfs/dbraw/zinc/18/77/47/809187747.db2.gz LBOUZOCPTDGZDC-UHFFFAOYSA-N -1 3 264.275 3.480 20 0 CGADHM [O-]c1c(F)cc(Nc2ccnn2CC2CC2)cc1F ZINC001213375430 815272145 /nfs/dbraw/zinc/27/21/45/815272145.db2.gz ZOJOXRQTZUNTEK-UHFFFAOYSA-N -1 3 265.263 3.021 20 0 CGADHM Cc1cc(F)nc(Nc2cc(F)c([O-])c(F)c2)c1 ZINC001213379323 815273128 /nfs/dbraw/zinc/27/31/28/815273128.db2.gz OSPXKBKNBNQBEW-UHFFFAOYSA-N -1 3 254.211 3.257 20 0 CGADHM [O-]c1c(F)cc(Nc2ccc3c(c2)COC3)cc1F ZINC001213379231 815273401 /nfs/dbraw/zinc/27/34/01/815273401.db2.gz HMRULLDSQSJHES-UHFFFAOYSA-N -1 3 263.243 3.444 20 0 CGADHM CCOc1ccc([N-]c2nnco2)cc1C(F)(F)F ZINC001175033586 809247219 /nfs/dbraw/zinc/24/72/19/809247219.db2.gz WSNMLUSLMSDOLD-UHFFFAOYSA-N -1 3 273.214 3.231 20 0 CGADHM NC(=O)c1ccc(Cl)cc1Nc1cc(F)c([O-])c(F)c1 ZINC001213381793 815273493 /nfs/dbraw/zinc/27/34/93/815273493.db2.gz HWQZKBNJMRDLFB-UHFFFAOYSA-N -1 3 298.676 3.166 20 0 CGADHM CCOc1ccc(Nc2ncc(F)cc2[O-])cc1F ZINC001175067230 809257110 /nfs/dbraw/zinc/25/71/10/809257110.db2.gz JTVNKNFNLKVFCQ-UHFFFAOYSA-N -1 3 266.247 3.208 20 0 CGADHM COC(=O)c1cc(F)ccc1Nc1c(F)cc([O-])cc1F ZINC001175096607 809269089 /nfs/dbraw/zinc/26/90/89/809269089.db2.gz FKCPXSMEEUELSK-UHFFFAOYSA-N -1 3 297.232 3.340 20 0 CGADHM CC(=O)Oc1ccc(Nc2c(F)cc([O-])cc2F)cc1 ZINC001175099327 809269606 /nfs/dbraw/zinc/26/96/06/809269606.db2.gz AHZFAHPGXXYSPK-UHFFFAOYSA-N -1 3 279.242 3.339 20 0 CGADHM Cn1cc2cc(Nc3c(F)cc([O-])cc3F)ccc2n1 ZINC001175100278 809270772 /nfs/dbraw/zinc/27/07/72/809270772.db2.gz LQRQOWSSWTZBCK-UHFFFAOYSA-N -1 3 275.258 3.301 20 0 CGADHM CCOc1ccncc1Nc1c(F)ccc([O-])c1F ZINC001175262323 809327772 /nfs/dbraw/zinc/32/77/72/809327772.db2.gz CWTRBYWPRKXWRG-UHFFFAOYSA-N -1 3 266.247 3.208 20 0 CGADHM COc1cnc(Cl)c(Nc2c(F)ccc([O-])c2F)c1 ZINC001175264549 809328913 /nfs/dbraw/zinc/32/89/13/809328913.db2.gz WOTHOYOBJIFSRJ-UHFFFAOYSA-N -1 3 286.665 3.471 20 0 CGADHM COc1cccc(OC)c1Nc1c(F)ccc([O-])c1F ZINC001175264134 809330049 /nfs/dbraw/zinc/33/00/49/809330049.db2.gz AMHXKQWKZRYOLU-UHFFFAOYSA-N -1 3 281.258 3.431 20 0 CGADHM [O-]c1ccc(Nc2c(F)ccc(O)c2F)c(F)c1F ZINC001175266304 809331754 /nfs/dbraw/zinc/33/17/54/809331754.db2.gz WVFOIVJXIIQXGF-UHFFFAOYSA-N -1 3 273.185 3.398 20 0 CGADHM COC(=O)c1c(F)cccc1Nc1c(F)ccc([O-])c1F ZINC001175268698 809332336 /nfs/dbraw/zinc/33/23/36/809332336.db2.gz QDOSTNAEBLWUIK-UHFFFAOYSA-N -1 3 297.232 3.340 20 0 CGADHM Nc1cc2c(cnn2-c2c(F)ccc([O-])c2F)c(Cl)c1 ZINC001175268474 809332863 /nfs/dbraw/zinc/33/28/63/809332863.db2.gz PXINMCPBUBMGSE-UHFFFAOYSA-N -1 3 295.676 3.245 20 0 CGADHM COCOc1cccc(Nc2c(F)ccc([O-])c2F)c1 ZINC001175269738 809334079 /nfs/dbraw/zinc/33/40/79/809334079.db2.gz KCEZDPUWPNPUIF-UHFFFAOYSA-N -1 3 281.258 3.397 20 0 CGADHM Nc1ccc2c(c1)CCCN2c1c(F)ccc([O-])c1F ZINC001175269140 809334274 /nfs/dbraw/zinc/33/42/74/809334274.db2.gz DNAXLSRDAWUIAO-UHFFFAOYSA-N -1 3 276.286 3.337 20 0 CGADHM [O-]c1ccc(F)c(Nc2cccc(C3=NCCO3)c2)c1F ZINC001175270787 809334368 /nfs/dbraw/zinc/33/43/68/809334368.db2.gz JSEXIBCLOZLSCP-UHFFFAOYSA-N -1 3 290.269 3.191 20 0 CGADHM CCOc1ccc(F)c(F)c1[N-]c1nc(C)co1 ZINC001175279813 809337324 /nfs/dbraw/zinc/33/73/24/809337324.db2.gz GSAKOWZRXMXNAP-UHFFFAOYSA-N -1 3 254.236 3.404 20 0 CGADHM C[S@](=O)c1ccccc1Nc1cc([O-])c(F)cc1F ZINC001175309451 809348820 /nfs/dbraw/zinc/34/88/20/809348820.db2.gz PNTGJWMPAMBDAT-IBGZPJMESA-N -1 3 283.299 3.151 20 0 CGADHM [O-]c1cccc2sc(Nc3cnc4n[nH]cc4c3)nc21 ZINC001175401414 809392458 /nfs/dbraw/zinc/39/24/58/809392458.db2.gz QYXHSDBPYSKKKS-UHFFFAOYSA-N -1 3 283.316 3.017 20 0 CGADHM Cc1ccc(Nc2ccc(-c3nn[n-]n3)cc2)c(C)c1 ZINC001175429301 809401842 /nfs/dbraw/zinc/40/18/42/809401842.db2.gz VJDLROCNDGKKKO-UHFFFAOYSA-N -1 3 265.320 3.227 20 0 CGADHM Cn1ncc2c1cccc2Nc1ncc(Cl)cc1[O-] ZINC001175433516 809402472 /nfs/dbraw/zinc/40/24/72/809402472.db2.gz AGDZOHPQEXHTOV-UHFFFAOYSA-N -1 3 274.711 3.071 20 0 CGADHM Cc1cc(F)c(Nc2ccc(-c3nn[n-]n3)cc2)cc1F ZINC001175433509 809402855 /nfs/dbraw/zinc/40/28/55/809402855.db2.gz ZZPMULHPDMAYEW-UHFFFAOYSA-N -1 3 287.273 3.197 20 0 CGADHM Cn1cc2cccc([N-]c3nnc(C(C)(C)C)s3)c2n1 ZINC001175456269 809411530 /nfs/dbraw/zinc/41/15/30/809411530.db2.gz VVSBSODIWXKMDM-UHFFFAOYSA-N -1 3 287.392 3.466 20 0 CGADHM CO[N-]C(=O)Cc1ccccc1Oc1ccc(C)cc1 ZINC001290649858 809411946 /nfs/dbraw/zinc/41/19/46/809411946.db2.gz XGRUHXUQKUGLKH-UHFFFAOYSA-N -1 3 271.316 3.007 20 0 CGADHM O=C(Nc1ccsn1)c1cc2sccc2c([O-])c1 ZINC001175522832 809441640 /nfs/dbraw/zinc/44/16/40/809441640.db2.gz NLZPTYGXZHRFBP-UHFFFAOYSA-N -1 3 276.342 3.316 20 0 CGADHM COc1ccc(Nc2cccc(Cl)c2[O-])c(OC)n1 ZINC001175583691 809463151 /nfs/dbraw/zinc/46/31/51/809463151.db2.gz DCGLFLSSCAQHNI-UHFFFAOYSA-N -1 3 280.711 3.201 20 0 CGADHM Clc1cc(-c2nc(-c3cccc4cccnc43)no2)[n-]n1 ZINC001213500214 815291126 /nfs/dbraw/zinc/29/11/26/815291126.db2.gz CARFKRUWQQXYAC-UHFFFAOYSA-N -1 3 297.705 3.328 20 0 CGADHM Cc1ccc(NC(=O)c2ccc(C(C)C)cc2[O-])c(=O)[nH]1 ZINC001296159132 809499416 /nfs/dbraw/zinc/49/94/16/809499416.db2.gz AVUNAMKXLATUJN-UHFFFAOYSA-N -1 3 286.331 3.177 20 0 CGADHM CC[C@@H]1CCCC[C@H]1CNC(=O)c1ccc(OC)cc1[O-] ZINC001298623211 809535905 /nfs/dbraw/zinc/53/59/05/809535905.db2.gz IHOHHGLPBDQPFG-OLZOCXBDSA-N -1 3 291.391 3.347 20 0 CGADHM Cc1cccc(CCC(=O)[N-]Oc2ccc(F)cc2)c1 ZINC001300515347 809568996 /nfs/dbraw/zinc/56/89/96/809568996.db2.gz XSWOAAPPTXAKTL-UHFFFAOYSA-N -1 3 273.307 3.177 20 0 CGADHM Fc1ccc2nc([N-]c3cnn(C4CC4)c3)oc2c1 ZINC001175959255 809581550 /nfs/dbraw/zinc/58/15/50/809581550.db2.gz VDFVUTFLUDVAHL-UHFFFAOYSA-N -1 3 258.256 3.242 20 0 CGADHM Cc1cncc(Nc2cc(F)c([O-])cc2F)c1C ZINC001213532989 815301532 /nfs/dbraw/zinc/30/15/32/815301532.db2.gz ZQKGWXJXJWTPEM-UHFFFAOYSA-N -1 3 250.248 3.426 20 0 CGADHM Cc1ccc(C(=O)N(C)c2ccc(O)c(C)c2)c([O-])c1C ZINC001302299408 809592263 /nfs/dbraw/zinc/59/22/63/809592263.db2.gz QZAVFNQKFIUPAB-UHFFFAOYSA-N -1 3 285.343 3.300 20 0 CGADHM Brc1nnc([N-]c2cncc(C3CC3)c2)s1 ZINC001176282306 809659143 /nfs/dbraw/zinc/65/91/43/809659143.db2.gz QTLJHIRIWXFYSU-UHFFFAOYSA-N -1 3 297.181 3.317 20 0 CGADHM [O-]c1c(F)cc(F)c(Nc2ccc3nccn3c2)c1F ZINC001176663489 809737530 /nfs/dbraw/zinc/73/75/30/809737530.db2.gz GWMANFJKTPYILO-UHFFFAOYSA-N -1 3 279.221 3.201 20 0 CGADHM CC(C)N(CC(=O)OC(C)(C)C)Cc1ccc([O-])c(F)c1 ZINC001180058050 809969460 /nfs/dbraw/zinc/96/94/60/809969460.db2.gz MKVJAFNQWLETSI-UHFFFAOYSA-N -1 3 297.370 3.083 20 0 CGADHM O=c1[n-]cncc1Nc1ccc(C2CC2)cc1Cl ZINC001213858120 815339588 /nfs/dbraw/zinc/33/95/88/815339588.db2.gz QVOMMCXAYKQKQJ-UHFFFAOYSA-N -1 3 261.712 3.457 20 0 CGADHM CC(C)[C@H](C(=O)Nc1cncc([O-])c1)c1ccccc1 ZINC001183577452 810153624 /nfs/dbraw/zinc/15/36/24/810153624.db2.gz CENPOWBZGVQRCY-HNNXBMFYSA-N -1 3 270.332 3.166 20 0 CGADHM COC(=O)c1c(F)cccc1Nc1cc([O-])c(F)cc1F ZINC001214050076 815361850 /nfs/dbraw/zinc/36/18/50/815361850.db2.gz MAOTYMCANCTJDR-UHFFFAOYSA-N -1 3 297.232 3.340 20 0 CGADHM CCCOc1cc(F)ccc1Nc1cc(=O)[n-]c(C)n1 ZINC001214078036 815365166 /nfs/dbraw/zinc/36/51/66/815365166.db2.gz DZJQMBCMQGNAHP-UHFFFAOYSA-N -1 3 277.299 3.162 20 0 CGADHM O=C(Nc1ccc([O-])c(F)c1)Nc1cc(F)cc(F)c1 ZINC001187570591 810405661 /nfs/dbraw/zinc/40/56/61/810405661.db2.gz WJJKFJSTGOUBKB-UHFFFAOYSA-N -1 3 282.221 3.454 20 0 CGADHM CCc1ccccc1NC(=O)Nc1cc(=O)[n-]c(C2CC2)n1 ZINC001187607625 810408618 /nfs/dbraw/zinc/40/86/18/810408618.db2.gz RRCRZRFXSLADQZ-UHFFFAOYSA-N -1 3 298.346 3.266 20 0 CGADHM Cc1cc(N)ccc1Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001214125416 815373254 /nfs/dbraw/zinc/37/32/54/815373254.db2.gz OJVFCQMYYYJKBH-UHFFFAOYSA-N -1 3 280.331 3.212 20 0 CGADHM O=C([N-]c1cc(-c2ccco2)no1)Nc1nccs1 ZINC001189346118 810561909 /nfs/dbraw/zinc/56/19/09/810561909.db2.gz SBELLLUHANXICS-UHFFFAOYSA-N -1 3 276.277 3.035 20 0 CGADHM CC(C)[C@@H](C)NC(=O)c1cccc(OC(F)(F)F)c1[O-] ZINC001189747962 810588410 /nfs/dbraw/zinc/58/84/10/810588410.db2.gz ALJULIZNOURFHU-MRVPVSSYSA-N -1 3 291.269 3.065 20 0 CGADHM CC(C)(C)CC(C)(C)NC(=O)c1ccc(=O)[n-]c1Cl ZINC001190918208 810657384 /nfs/dbraw/zinc/65/73/84/810657384.db2.gz QYPJHNPNYLOGQS-UHFFFAOYSA-N -1 3 284.787 3.385 20 0 CGADHM CC1(C)CCC(NC(=O)c2ccc(=O)[n-]c2Cl)CC1 ZINC001190918430 810657570 /nfs/dbraw/zinc/65/75/70/810657570.db2.gz RAZLHWKXTARSQA-UHFFFAOYSA-N -1 3 282.771 3.139 20 0 CGADHM CC(C)(C)c1ccc(C(=O)NC[C@H]2C[C@H](F)C2)c([O-])c1 ZINC001192336035 810787303 /nfs/dbraw/zinc/78/73/03/810787303.db2.gz QXDOHGSPTWRGMP-UMSPYCQHSA-N -1 3 279.355 3.168 20 0 CGADHM O=C(Nc1ccc(F)c([O-])c1)N[C@@H]1CCc2ccccc21 ZINC001192995893 810840175 /nfs/dbraw/zinc/84/01/75/810840175.db2.gz SVHLWPKSTHTMKA-CQSZACIVSA-N -1 3 286.306 3.340 20 0 CGADHM O=c1cc(Nc2ccc(Cl)cc2O)nc(C2CC2)[n-]1 ZINC001214400074 815404185 /nfs/dbraw/zinc/40/41/85/815404185.db2.gz PRYWPSPANXLMMR-UHFFFAOYSA-N -1 3 277.711 3.162 20 0 CGADHM CC(C)OC(=O)Nc1ccc(C(F)(F)F)cc1[O-] ZINC001193487087 810895428 /nfs/dbraw/zinc/89/54/28/810895428.db2.gz WDGIMTCKYQXFPJ-UHFFFAOYSA-N -1 3 263.215 3.368 20 0 CGADHM Cc1cc(N)c2ccnc-2n1-c1cc(F)c([O-])c(Cl)c1 ZINC001214485276 815416597 /nfs/dbraw/zinc/41/65/97/815416597.db2.gz YGRGQOXGQIBQFF-UHFFFAOYSA-N -1 3 291.713 3.366 20 0 CGADHM [O-]c1cc(F)cnc1Nc1c(Cl)ccc(O)c1F ZINC001214558515 815424959 /nfs/dbraw/zinc/42/49/59/815424959.db2.gz YOHRNVZHGBJHQQ-UHFFFAOYSA-N -1 3 272.638 3.168 20 0 CGADHM [O-]c1ccc(Cl)c(Nc2ncc(F)cc2O)c1F ZINC001214558515 815424962 /nfs/dbraw/zinc/42/49/62/815424962.db2.gz YOHRNVZHGBJHQQ-UHFFFAOYSA-N -1 3 272.638 3.168 20 0 CGADHM CC[C@H](C)OC(=O)N=c1[nH]c2c(cccc2[O-])s1 ZINC001195070449 811193858 /nfs/dbraw/zinc/19/38/58/811193858.db2.gz SMSQRUVGZUHKJI-ZETCQYMHSA-N -1 3 266.322 3.349 20 0 CGADHM C[C@@H](Oc1cnc[n-]c1=O)c1csc(Cl)c1 ZINC001227049185 817542754 /nfs/dbraw/zinc/54/27/54/817542754.db2.gz QWJXVOUZBNYILS-ZCFIWIBFSA-N -1 3 256.714 3.037 20 0 CGADHM CCc1ccccc1NC(=S)Nc1cncc([O-])c1 ZINC001201136431 811787868 /nfs/dbraw/zinc/78/78/68/811787868.db2.gz RROKLIPMJLGCGL-UHFFFAOYSA-N -1 3 273.361 3.159 20 0 CGADHM CC(C)(C)NC(=O)Nc1ccc(C(F)(F)F)cc1[O-] ZINC001202479488 812104229 /nfs/dbraw/zinc/10/42/29/812104229.db2.gz YCJFBSPVJUCODE-UHFFFAOYSA-N -1 3 276.258 3.331 20 0 CGADHM COc1ccc(NC(=O)Nc2cc(F)ccc2[O-])c(C)c1 ZINC001202725408 812158611 /nfs/dbraw/zinc/15/86/11/812158611.db2.gz MARAXKJUTNKIGA-UHFFFAOYSA-N -1 3 290.294 3.492 20 0 CGADHM CC(C)n1ccc(Nc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC001203159023 812256915 /nfs/dbraw/zinc/25/69/15/812256915.db2.gz HNHXCOJXVPVWSB-UHFFFAOYSA-N -1 3 258.325 3.186 20 0 CGADHM Cc1ccc(Nc2cc([O-])c(F)cc2F)c(C)n1 ZINC001203374616 812330274 /nfs/dbraw/zinc/33/02/74/812330274.db2.gz LTJPHGXHRLLZRE-UHFFFAOYSA-N -1 3 250.248 3.426 20 0 CGADHM Cc1ncc(Nc2ccc(N3CCCCC3)cc2)c(=O)[n-]1 ZINC001203719087 812440656 /nfs/dbraw/zinc/44/06/56/812440656.db2.gz QOLSZVYYTCMAFW-UHFFFAOYSA-N -1 3 284.363 3.225 20 0 CGADHM [O-]c1cc(F)c(Nc2cnn3cccc(F)c23)cc1F ZINC001215572585 815537711 /nfs/dbraw/zinc/53/77/11/815537711.db2.gz LWNDHUHJDKWTMM-UHFFFAOYSA-N -1 3 279.221 3.201 20 0 CGADHM Cc1cc2cc(Nc3ncc(Cl)cc3[O-])cnc2[nH]1 ZINC001204897152 812768062 /nfs/dbraw/zinc/76/80/62/812768062.db2.gz UGVFRUKYRXXTHJ-UHFFFAOYSA-N -1 3 274.711 3.369 20 0 CGADHM Nc1cc(C(F)(F)F)cnc1-c1ccc([O-])cc1F ZINC001206037673 813175481 /nfs/dbraw/zinc/17/54/81/813175481.db2.gz KPPXYRVWWJQEPI-UHFFFAOYSA-N -1 3 272.201 3.194 20 0 CGADHM [O-]c1ccc(-c2ncc3cc(F)ccc3n2)c(F)c1 ZINC001206037349 813176328 /nfs/dbraw/zinc/17/63/28/813176328.db2.gz GEEAEPHNKKSIPX-UHFFFAOYSA-N -1 3 258.227 3.281 20 0 CGADHM [O-]c1ccc(-c2cc(OCC3CC3)ccn2)c(F)c1 ZINC001206044263 813179194 /nfs/dbraw/zinc/17/91/94/813179194.db2.gz HBNRVJFKLNBDTN-UHFFFAOYSA-N -1 3 259.280 3.382 20 0 CGADHM O=c1ccc2cccc(-c3ccc([O-])cc3F)c2o1 ZINC001206057981 813185792 /nfs/dbraw/zinc/18/57/92/813185792.db2.gz ZGNYCCHSQUBMEF-UHFFFAOYSA-N -1 3 256.232 3.305 20 0 CGADHM COC(=O)c1cc(F)c(-c2ccc([O-])cc2F)cc1F ZINC001206073072 813190408 /nfs/dbraw/zinc/19/04/08/813190408.db2.gz MQFOKJNBDXKDEX-UHFFFAOYSA-N -1 3 282.217 3.263 20 0 CGADHM Cc1cc(O)cc(-c2cc(C(F)(F)F)[n-]c(=S)n2)c1 ZINC001206211871 813243051 /nfs/dbraw/zinc/24/30/51/813243051.db2.gz PUTULXPQSDDJPQ-UHFFFAOYSA-N -1 3 286.278 3.465 20 0 CGADHM C[C@H]1[C@@H](C)N(Cc2ncc(Br)cc2[O-])C[C@H]1C ZINC001206342827 813296060 /nfs/dbraw/zinc/29/60/60/813296060.db2.gz MKUCCBYLISESGG-OPRDCNLKSA-N -1 3 299.212 3.026 20 0 CGADHM [O-]c1cc(Cl)cnc1Nc1ccc2c(c1)OCC2 ZINC001206653075 813389755 /nfs/dbraw/zinc/38/97/55/813389755.db2.gz UVXYZIJCRLDKJW-UHFFFAOYSA-N -1 3 262.696 3.119 20 0 CGADHM Cc1cc(N)ncc1Nc1nc2c(cccc2[O-])s1 ZINC001209962007 814215264 /nfs/dbraw/zinc/21/52/64/814215264.db2.gz PPNHMCOYSSZWQC-UHFFFAOYSA-N -1 3 272.333 3.031 20 0 CGADHM Nc1cc2c(cnn2-c2ccc(F)cc2[O-])c(Cl)c1 ZINC001210019608 814247913 /nfs/dbraw/zinc/24/79/13/814247913.db2.gz QYNRCFJXZJDLDE-UHFFFAOYSA-N -1 3 277.686 3.106 20 0 CGADHM [O-]c1cc(Nc2cc(F)ccc2CO)c(F)cc1F ZINC001210185788 814326421 /nfs/dbraw/zinc/32/64/21/814326421.db2.gz YNKYKGDNQSYHFK-UHFFFAOYSA-N -1 3 269.222 3.045 20 0 CGADHM CC(=O)Nc1cncc(Nc2cccc(Cl)c2[O-])c1 ZINC001210219362 814347233 /nfs/dbraw/zinc/34/72/33/814347233.db2.gz HYMBAESNWDQYDV-UHFFFAOYSA-N -1 3 277.711 3.143 20 0 CGADHM [O-]c1c(Cl)cccc1Nc1cccc(CO)c1F ZINC001210221938 814349705 /nfs/dbraw/zinc/34/97/05/814349705.db2.gz FAPFSVGZQFLWHY-UHFFFAOYSA-N -1 3 267.687 3.421 20 0 CGADHM [O-]c1cc(F)cnc1Nc1cccc2ccncc21 ZINC001210224791 814353870 /nfs/dbraw/zinc/35/38/70/814353870.db2.gz VJVHDQMOIWKTJN-UHFFFAOYSA-N -1 3 255.252 3.218 20 0 CGADHM CSc1ccc(F)c(Nc2cnc(C)[n-]c2=O)c1F ZINC001215837406 815609937 /nfs/dbraw/zinc/60/99/37/815609937.db2.gz ORWHMQLICPFGBX-UHFFFAOYSA-N -1 3 283.303 3.234 20 0 CGADHM C[C@H](O)c1cccc(Nc2cc(=O)n(-c3ccccc3)[n-]2)c1 ZINC001210506405 814495624 /nfs/dbraw/zinc/49/56/24/814495624.db2.gz HXZNTIIGAMICRX-LBPRGKRZSA-N -1 3 295.342 3.375 20 0 CGADHM CCOc1cncc(Nc2cc(F)c([O-])c(F)c2)c1 ZINC001210665214 814576572 /nfs/dbraw/zinc/57/65/72/814576572.db2.gz DDIYKNSTGLSQKC-UHFFFAOYSA-N -1 3 266.247 3.208 20 0 CGADHM COc1cccnc1Nc1cccc([O-])c1Cl ZINC001210851574 814650789 /nfs/dbraw/zinc/65/07/89/814650789.db2.gz DADZWNKFIZZJAV-UHFFFAOYSA-N -1 3 250.685 3.193 20 0 CGADHM [O-]c1cccc(Nc2ncc(F)cc2F)c1Cl ZINC001210845205 814650929 /nfs/dbraw/zinc/65/09/29/814650929.db2.gz UYARIDKIFOGKNB-UHFFFAOYSA-N -1 3 256.639 3.462 20 0 CGADHM Cc1ccc(C(N)=O)c(Nc2cccc([O-])c2Cl)c1 ZINC001210855194 814652349 /nfs/dbraw/zinc/65/23/49/814652349.db2.gz TYPLHDBKMBAHSO-UHFFFAOYSA-N -1 3 276.723 3.197 20 0 CGADHM [O-]c1cc(F)cnc1Nc1cccc(OC2CC2)c1 ZINC001210859902 814653617 /nfs/dbraw/zinc/65/36/17/814653617.db2.gz FDBUYLOFYZWIIC-UHFFFAOYSA-N -1 3 260.268 3.211 20 0 CGADHM CSc1ccc(Nc2cnc(C)[n-]c2=O)c(F)c1 ZINC001210873651 814659782 /nfs/dbraw/zinc/65/97/82/814659782.db2.gz JRCSHTRJIUKTOP-UHFFFAOYSA-N -1 3 265.313 3.095 20 0 CGADHM CCCn1nccc1Nc1cc([O-])c(F)cc1F ZINC001210916974 814673734 /nfs/dbraw/zinc/67/37/34/814673734.db2.gz MTYKCZUKFCPMHN-UHFFFAOYSA-N -1 3 253.252 3.021 20 0 CGADHM CSc1cncc(Nc2cc(=O)n(-c3ccccc3)[n-]2)c1 ZINC001211066880 814728123 /nfs/dbraw/zinc/72/81/23/814728123.db2.gz JHBSRSZUHAJDTP-UHFFFAOYSA-N -1 3 298.371 3.438 20 0 CGADHM CCCOc1ccccc1Nc1cnc(C)[n-]c1=O ZINC001211380948 814887283 /nfs/dbraw/zinc/88/72/83/814887283.db2.gz LCBIPSFVISWGLU-UHFFFAOYSA-N -1 3 259.309 3.023 20 0 CGADHM [O-]c1cc(F)cnc1Nc1ccc(Cl)c2c[nH]nc21 ZINC001216055363 815675412 /nfs/dbraw/zinc/67/54/12/815675412.db2.gz IEVVUJGGAKYLRT-UHFFFAOYSA-N -1 3 278.674 3.200 20 0 CGADHM CCc1cc(Nc2ccc([O-])c(F)c2F)ccc1CO ZINC001216106228 815698316 /nfs/dbraw/zinc/69/83/16/815698316.db2.gz YQECVHCCPABFKR-UHFFFAOYSA-N -1 3 279.286 3.469 20 0 CGADHM CCOc1cc(C)cc(F)c1[N-]c1nc(C)ns1 ZINC001216365765 815800454 /nfs/dbraw/zinc/80/04/54/815800454.db2.gz RCCLLLIOJWSDGD-UHFFFAOYSA-N -1 3 267.329 3.436 20 0 CGADHM Cc1cccc([O-])c1-c1nc(-c2cccnc2C)no1 ZINC001216540350 815853515 /nfs/dbraw/zinc/85/35/15/815853515.db2.gz OKCARHQIQRYIDV-UHFFFAOYSA-N -1 3 267.288 3.121 20 0 CGADHM COc1cccc(-c2noc(-c3ccc([O-])cc3OC)n2)c1 ZINC001217085240 815908805 /nfs/dbraw/zinc/90/88/05/815908805.db2.gz KVTDVRUAHZEKIT-UHFFFAOYSA-N -1 3 298.298 3.126 20 0 CGADHM [O-]c1ccccc1Oc1ccccc1O[C@H]1C[C@H](O)C1 ZINC001218363760 816179305 /nfs/dbraw/zinc/17/93/05/816179305.db2.gz CBGLMHNJOOPXAL-HAQNSBGRSA-N -1 3 272.300 3.087 20 0 CGADHM CCOc1ccc(F)c(-c2ccc(C)c(-c3nnn[n-]3)c2)c1 ZINC001242938523 823180587 /nfs/dbraw/zinc/18/05/87/823180587.db2.gz QVZJTDUNTDNGIE-UHFFFAOYSA-N -1 3 298.321 3.380 20 0 CGADHM CCOc1ccc(F)c(-c2ccc(C)c(-c3nn[n-]n3)c2)c1 ZINC001242938523 823180588 /nfs/dbraw/zinc/18/05/88/823180588.db2.gz QVZJTDUNTDNGIE-UHFFFAOYSA-N -1 3 298.321 3.380 20 0 CGADHM CN(C)/C=C/c1ccncc1-c1cc(F)c([O-])cc1F ZINC001222085880 816344574 /nfs/dbraw/zinc/34/45/74/816344574.db2.gz DYNPFPQVWHPLKC-GQCTYLIASA-N -1 3 276.286 3.265 20 0 CGADHM [O-]c1cc(-c2ccnc(N3CCCC3)c2)ccc1F ZINC001243050303 823227975 /nfs/dbraw/zinc/22/79/75/823227975.db2.gz WDYPEAWEEFLFAS-UHFFFAOYSA-N -1 3 258.296 3.194 20 0 CGADHM CSc1c[nH]c2ncnc(-c3ccc(F)c([O-])c3)c12 ZINC001243048248 823225723 /nfs/dbraw/zinc/22/57/23/823225723.db2.gz MIHSAQBDCQIHHA-UHFFFAOYSA-N -1 3 275.308 3.143 20 0 CGADHM [O-]c1cc(-c2cnc3cc(F)c(F)cc3n2)ccc1F ZINC001243049672 823226494 /nfs/dbraw/zinc/22/64/94/823226494.db2.gz NWHYHVZYYSPCQT-UHFFFAOYSA-N -1 3 276.217 3.420 20 0 CGADHM COC(=O)c1cc(-c2ccc(F)c([O-])c2)c(C)cc1OC ZINC001243052568 823229348 /nfs/dbraw/zinc/22/93/48/823229348.db2.gz ZWQPVOKPCKSHQC-UHFFFAOYSA-N -1 3 290.290 3.302 20 0 CGADHM CC(C)C(Oc1nc(=O)[n-]cc1C(F)(F)F)C(C)C ZINC001225579960 817099200 /nfs/dbraw/zinc/09/92/00/817099200.db2.gz QWCOAJLSTMUZMV-UHFFFAOYSA-N -1 3 278.274 3.260 20 0 CGADHM Cc1cnc(=S)[n-]c1O[C@@H](C)COCc1ccccc1 ZINC001225742590 817163670 /nfs/dbraw/zinc/16/36/70/817163670.db2.gz MXEMLZDGCHBAOH-LBPRGKRZSA-N -1 3 290.388 3.058 20 0 CGADHM COCc1cc(O[C@@H](C)c2ccc(C)cc2)[n-]c(=S)n1 ZINC001225932189 817221404 /nfs/dbraw/zinc/22/14/04/817221404.db2.gz FLTDXLJIJNHBNU-NSHDSACASA-N -1 3 290.388 3.360 20 0 CGADHM COCc1cc(O[C@@H](C)c2ccccc2F)[n-]c(=S)n1 ZINC001225935527 817222589 /nfs/dbraw/zinc/22/25/89/817222589.db2.gz VAWIDXHLCUJMKF-VIFPVBQESA-N -1 3 294.351 3.191 20 0 CGADHM CC(=O)c1ccc([O-])c(O[C@@H](C)c2ccc(C)nc2)c1 ZINC001225992878 817242190 /nfs/dbraw/zinc/24/21/90/817242190.db2.gz CSAIMCYHNDDMSK-LBPRGKRZSA-N -1 3 271.316 3.438 20 0 CGADHM CC[C@H](Oc1nc[n-]c(=O)c1C)c1cccc(F)c1C ZINC001226077650 817267085 /nfs/dbraw/zinc/26/70/85/817267085.db2.gz SOPPDXOWXYWZKS-ZDUSSCGKSA-N -1 3 276.311 3.468 20 0 CGADHM C[C@@H](Oc1[n-]c(=S)ncc1C1CC1)c1ccncc1F ZINC001226119218 817278645 /nfs/dbraw/zinc/27/86/45/817278645.db2.gz LRLPQCSFGOLGMD-MRVPVSSYSA-N -1 3 291.351 3.317 20 0 CGADHM CC(=O)c1cnc(=O)[n-]c1O[C@H](c1ccccc1)C(C)C ZINC001226236792 817305715 /nfs/dbraw/zinc/30/57/15/817305715.db2.gz DBWLZXLPJFWUHH-AWEZNQCLSA-N -1 3 286.331 3.161 20 0 CGADHM CCc1nc(O[C@H](C)c2ccc(F)c(F)c2)cc(=O)[n-]1 ZINC001226475407 817369342 /nfs/dbraw/zinc/36/93/42/817369342.db2.gz KYWFORQQVREHSV-MRVPVSSYSA-N -1 3 280.274 3.163 20 0 CGADHM CC(=O)c1ccc([O-])c(O[C@H]2CCc3ccccc32)c1O ZINC001226478379 817370532 /nfs/dbraw/zinc/37/05/32/817370532.db2.gz GBBJRNBQWSPDQA-HNNXBMFYSA-N -1 3 284.311 3.367 20 0 CGADHM Cc1nc(O[C@@H](C)c2csc(Cl)c2)cc(=O)[n-]1 ZINC001226509740 817379935 /nfs/dbraw/zinc/37/99/35/817379935.db2.gz CTYKPDLRLWMOAI-LURJTMIESA-N -1 3 270.741 3.346 20 0 CGADHM O=c1nc2nc(Cl)ccc2c(O[C@@H]2CCCC[C@@H]2F)[n-]1 ZINC001226555688 817396384 /nfs/dbraw/zinc/39/63/84/817396384.db2.gz FNMZHDDTUJYMDA-DTWKUNHWSA-N -1 3 297.717 3.043 20 0 CGADHM C[C@@H]1CCCC[C@H]1Oc1c([O-])ccc2ccc(=O)oc21 ZINC001226595490 817408351 /nfs/dbraw/zinc/40/83/51/817408351.db2.gz DILOVNGEZXIHOC-ZWNOBZJWSA-N -1 3 274.316 3.456 20 0 CGADHM CC[C@H](C)[C@@H](C)Oc1c([O-])ccc2ccc(=O)oc21 ZINC001226600595 817409355 /nfs/dbraw/zinc/40/93/55/817409355.db2.gz YKSVSQZQULWJII-VHSXEESVSA-N -1 3 262.305 3.312 20 0 CGADHM C[C@@H](Oc1cccc([O-])c1Cl)C1CCOCC1 ZINC001226712387 817443517 /nfs/dbraw/zinc/44/35/17/817443517.db2.gz RCZXFIZXIYGDTC-SECBINFHSA-N -1 3 256.729 3.240 20 0 CGADHM Cc1ccc2c(c1)CC[C@H]2Oc1ccnc(=S)[n-]1 ZINC001226938159 817510439 /nfs/dbraw/zinc/51/04/39/817510439.db2.gz VRYJRSFFVLWWEJ-GFCCVEGCSA-N -1 3 258.346 3.140 20 0 CGADHM Fc1cc2c(c(F)c1)CC[C@@H]2Oc1ccnc(=S)[n-]1 ZINC001226942110 817511364 /nfs/dbraw/zinc/51/13/64/817511364.db2.gz IGVCPSAYGARUEK-NSHDSACASA-N -1 3 280.299 3.110 20 0 CGADHM C[C@H](Oc1cc(=O)[n-]cn1)c1ccc(C(F)(F)F)cc1 ZINC001226944857 817512354 /nfs/dbraw/zinc/51/23/54/817512354.db2.gz KMVOBVCBSURAIY-QMMMGPOBSA-N -1 3 284.237 3.341 20 0 CGADHM S=c1nccc(O[C@H]2CCCc3c(Cl)ccnc32)[n-]1 ZINC001226942625 817513016 /nfs/dbraw/zinc/51/30/16/817513016.db2.gz NVQUIJBVJOCYFN-JTQLQIEISA-N -1 3 293.779 3.270 20 0 CGADHM COc1ccc(-c2cc(C)cc(C(=O)[O-])c2)cc1CN(C)C ZINC001243178309 823275462 /nfs/dbraw/zinc/27/54/62/823275462.db2.gz OLLUKDSRXLSZLF-UHFFFAOYSA-N -1 3 299.370 3.430 20 0 CGADHM Cc1ccc2c(c1)[C@@H](Oc1[nH]c(=S)nc3nc[n-]c31)CC2 ZINC001227613171 817682102 /nfs/dbraw/zinc/68/21/02/817682102.db2.gz TWAQEOQLWUBFTH-NSHDSACASA-N -1 3 298.371 3.016 20 0 CGADHM COC(=O)c1ccc([O-])c(O[C@H](C)c2ccc(C)cc2)n1 ZINC001227820373 817726714 /nfs/dbraw/zinc/72/67/14/817726714.db2.gz SQEFTWYCURZVKJ-LLVKDONJSA-N -1 3 287.315 3.022 20 0 CGADHM CC[C@@H](Oc1nc(C(=O)OC)ccc1[O-])c1ccccc1 ZINC001227821527 817726893 /nfs/dbraw/zinc/72/68/93/817726893.db2.gz IDKGZOHOTHWYET-CQSZACIVSA-N -1 3 287.315 3.104 20 0 CGADHM CC/C=C(\C)[C@@H](CC)Oc1nc(C(=O)OC)ccc1[O-] ZINC001227824758 817727757 /nfs/dbraw/zinc/72/77/57/817727757.db2.gz JSIHFPQLZGMGQK-UTSBKAFOSA-N -1 3 279.336 3.088 20 0 CGADHM Cc1ccc(-c2cncc3cc[nH]c32)cc1C(=O)[O-] ZINC001243194804 823284910 /nfs/dbraw/zinc/28/49/10/823284910.db2.gz JFJFPPDJLRKMRH-UHFFFAOYSA-N -1 3 252.273 3.237 20 0 CGADHM CO[C@H](C)COc1cc(C(=O)c2ccccc2)ccc1[O-] ZINC001228153416 817826297 /nfs/dbraw/zinc/82/62/97/817826297.db2.gz DOMVAYUIWIYFNV-GFCCVEGCSA-N -1 3 286.327 3.037 20 0 CGADHM Cc1ccc([C@H](C)Oc2nnc(-c3cccnc3)[n-]2)cc1 ZINC001228697443 817976576 /nfs/dbraw/zinc/97/65/76/817976576.db2.gz IMPRLWNPTHZTDK-LBPRGKRZSA-N -1 3 280.331 3.315 20 0 CGADHM Cc1ccc([C@H](C)Oc2nc(-c3cccnc3)n[n-]2)cc1 ZINC001228697443 817976582 /nfs/dbraw/zinc/97/65/82/817976582.db2.gz IMPRLWNPTHZTDK-LBPRGKRZSA-N -1 3 280.331 3.315 20 0 CGADHM Cc1ccc([C@H](C)Oc2n[n-]c(-c3cccnc3)n2)cc1 ZINC001228697443 817976589 /nfs/dbraw/zinc/97/65/89/817976589.db2.gz IMPRLWNPTHZTDK-LBPRGKRZSA-N -1 3 280.331 3.315 20 0 CGADHM Cc1ccc2c(c1)[C@H](Oc1n[n-]c(-c3ccncc3)n1)CC2 ZINC001228696610 817977419 /nfs/dbraw/zinc/97/74/19/817977419.db2.gz AXRFMWJEORIGET-OAHLLOKOSA-N -1 3 292.342 3.241 20 0 CGADHM CCC[C@@H](Oc1nnc(-c2cccnc2)[n-]1)C(C)(C)C ZINC001228698330 817977543 /nfs/dbraw/zinc/97/75/43/817977543.db2.gz PECMRGSYAMSGPT-GFCCVEGCSA-N -1 3 274.368 3.460 20 0 CGADHM CCC[C@@H](Oc1nc(-c2cccnc2)n[n-]1)C(C)(C)C ZINC001228698330 817977547 /nfs/dbraw/zinc/97/75/47/817977547.db2.gz PECMRGSYAMSGPT-GFCCVEGCSA-N -1 3 274.368 3.460 20 0 CGADHM CCC[C@@H](Oc1n[n-]c(-c2cccnc2)n1)C(C)(C)C ZINC001228698330 817977551 /nfs/dbraw/zinc/97/75/51/817977551.db2.gz PECMRGSYAMSGPT-GFCCVEGCSA-N -1 3 274.368 3.460 20 0 CGADHM Cc1cccc2c1CC[C@@H]2Oc1n[n-]c(-c2ccncc2)n1 ZINC001228697932 817978251 /nfs/dbraw/zinc/97/82/51/817978251.db2.gz QDNCGUCWPZQRCU-HNNXBMFYSA-N -1 3 292.342 3.241 20 0 CGADHM C[C@@H]1CCC[C@H](Oc2n[n-]c(-c3ccncc3)n2)[C@@H]1C ZINC001228699973 817979801 /nfs/dbraw/zinc/97/98/01/817979801.db2.gz MFGYFLKTVTUTLZ-WZRBSPASSA-N -1 3 272.352 3.070 20 0 CGADHM O=C1CCc2cc([O-])c(O[C@H]3CCOc4ccccc43)cc21 ZINC001228854201 818023457 /nfs/dbraw/zinc/02/34/57/818023457.db2.gz OWKLAXYSUSJIQB-KRWDZBQOSA-N -1 3 296.322 3.424 20 0 CGADHM CC(C)=CCC[C@H](C)Oc1cccc(-c2nnn[n-]2)c1 ZINC001231118314 818035365 /nfs/dbraw/zinc/03/53/65/818035365.db2.gz LILBJGLTJXNLAK-LBPRGKRZSA-N -1 3 272.352 3.380 20 0 CGADHM CC(C)=CCC[C@H](C)Oc1cccc(-c2nn[n-]n2)c1 ZINC001231118314 818035368 /nfs/dbraw/zinc/03/53/68/818035368.db2.gz LILBJGLTJXNLAK-LBPRGKRZSA-N -1 3 272.352 3.380 20 0 CGADHM C[C@@H]1CC(Oc2cccc(-c3nnn[n-]3)c2)C[C@@H](C)C1 ZINC001231118370 818036204 /nfs/dbraw/zinc/03/62/04/818036204.db2.gz MPWNJQSCKXWTKA-QWRGUYRKSA-N -1 3 272.352 3.070 20 0 CGADHM C[C@@H]1CC(Oc2cccc(-c3nn[n-]n3)c2)C[C@@H](C)C1 ZINC001231118370 818036208 /nfs/dbraw/zinc/03/62/08/818036208.db2.gz MPWNJQSCKXWTKA-QWRGUYRKSA-N -1 3 272.352 3.070 20 0 CGADHM CC(C)Oc1cccc(F)c1-c1ccc(=S)[n-]n1 ZINC001243261250 823316591 /nfs/dbraw/zinc/31/65/91/823316591.db2.gz DEMMLCXQHMSVOD-UHFFFAOYSA-N -1 3 264.325 3.359 20 0 CGADHM C[C@@]1(CF)CCN(Cc2ccc(Cl)c([O-])c2)C1 ZINC001231733557 818162297 /nfs/dbraw/zinc/16/22/97/818162297.db2.gz YLUJHCOSTNBVHH-ZDUSSCGKSA-N -1 3 257.736 3.227 20 0 CGADHM [O-]c1cccc(CN2CCC3(C[C@H](F)CO3)CC2)c1Cl ZINC001232788578 818440652 /nfs/dbraw/zinc/44/06/52/818440652.db2.gz DUSMCGNEGHPWRX-LBPRGKRZSA-N -1 3 299.773 3.139 20 0 CGADHM CN(Cc1ccc(F)c([O-])c1F)C[C@H]1CC1(C)C ZINC001232936811 818477859 /nfs/dbraw/zinc/47/78/59/818477859.db2.gz GUHARKSFMOWPDK-SNVBAGLBSA-N -1 3 255.308 3.148 20 0 CGADHM COC(C)(C)[C@@H]1CCCN1Cc1c(F)ccc([O-])c1F ZINC001233395907 818610991 /nfs/dbraw/zinc/61/09/91/818610991.db2.gz YNBBHLYNSYRCME-ZDUSSCGKSA-N -1 3 285.334 3.060 20 0 CGADHM [O-]c1ccc(F)c(CN2CCC[C@H]2c2nccs2)c1F ZINC001233396156 818611174 /nfs/dbraw/zinc/61/11/74/818611174.db2.gz MRHKFJQKNJFTBT-NSHDSACASA-N -1 3 296.342 3.464 20 0 CGADHM COC(=O)[C@H]1CCC[C@@H](Oc2cc(Cl)c([O-])cc2C)C1 ZINC001233592744 818652762 /nfs/dbraw/zinc/65/27/62/818652762.db2.gz OMLALIFLVOWCDD-WDEREUQCSA-N -1 3 298.766 3.465 20 0 CGADHM [O-]c1cccc(O[C@H]2CCOc3ccccc32)c1F ZINC001233872381 818722358 /nfs/dbraw/zinc/72/23/58/818722358.db2.gz UCHFPSZIXWWGNA-ZDUSSCGKSA-N -1 3 260.264 3.434 20 0 CGADHM COc1cccc2c1[C@@H](Oc1cccc([O-])c1F)CCO2 ZINC001233871485 818722410 /nfs/dbraw/zinc/72/24/10/818722410.db2.gz OYKOZNKDWTZOMC-ZDUSSCGKSA-N -1 3 290.290 3.443 20 0 CGADHM [O-]c1cccc(O[C@@H](c2cccnc2)C2CC2)c1F ZINC001233870821 818722444 /nfs/dbraw/zinc/72/24/44/818722444.db2.gz IXWGVXLICZUORE-OAHLLOKOSA-N -1 3 259.280 3.456 20 0 CGADHM CCC[C@@H](Oc1cccc([O-])c1C(N)=O)C(C)(C)C ZINC001234148255 818791602 /nfs/dbraw/zinc/79/16/02/818791602.db2.gz GLFOKCRKIVXVBB-GFCCVEGCSA-N -1 3 265.353 3.085 20 0 CGADHM C[C@@H](Oc1cccc([O-])c1C(N)=O)c1csc(Cl)c1 ZINC001234149064 818791896 /nfs/dbraw/zinc/79/18/96/818791896.db2.gz LVUZQBFBEBQHRV-SSDOTTSWSA-N -1 3 297.763 3.346 20 0 CGADHM Cc1cc(-c2nnn[n-]2)ccc1-c1cc2ccccc2n1C ZINC001243355699 823364864 /nfs/dbraw/zinc/36/48/64/823364864.db2.gz JWNXJSKOGMNZNB-UHFFFAOYSA-N -1 3 289.342 3.334 20 0 CGADHM Cc1cc(-c2nn[n-]n2)ccc1-c1cc2ccccc2n1C ZINC001243355699 823364872 /nfs/dbraw/zinc/36/48/72/823364872.db2.gz JWNXJSKOGMNZNB-UHFFFAOYSA-N -1 3 289.342 3.334 20 0 CGADHM C[C@@H]1C[C@H](Oc2c(Cl)ccc([O-])c2F)CCO1 ZINC001234263148 818820153 /nfs/dbraw/zinc/82/01/53/818820153.db2.gz SRTSRRJFTVESGU-HTQZYQBOSA-N -1 3 260.692 3.131 20 0 CGADHM Cc1nn(C)cc1[C@@H](C)Oc1c([O-])cc(Cl)cc1F ZINC001234444025 818856011 /nfs/dbraw/zinc/85/60/11/818856011.db2.gz KVFSSPWOLCVGSH-MRVPVSSYSA-N -1 3 284.718 3.367 20 0 CGADHM CCCC(=O)[C@H](CCC)Oc1nc2c(cccc2[O-])[nH]1 ZINC001234448806 818857386 /nfs/dbraw/zinc/85/73/86/818857386.db2.gz ZKWBSGCZUKNAEQ-ZDUSSCGKSA-N -1 3 276.336 3.185 20 0 CGADHM COc1ccc([C@@H](C)Oc2nc3c(cccc3[O-])[nH]2)cc1 ZINC001234447218 818857494 /nfs/dbraw/zinc/85/74/94/818857494.db2.gz LIRJSQOVBOSDSZ-SNVBAGLBSA-N -1 3 284.315 3.417 20 0 CGADHM CCC(=O)[C@@H](CC)Oc1c([O-])cc(Cl)cc1F ZINC001234446562 818857638 /nfs/dbraw/zinc/85/76/38/818857638.db2.gz GNBOJLSVVPNLJI-LLVKDONJSA-N -1 3 260.692 3.321 20 0 CGADHM [O-]c1cc(Cl)cc(F)c1OC1CC(F)(F)C1 ZINC001234448129 818858159 /nfs/dbraw/zinc/85/81/59/818858159.db2.gz PCEYQCYJROSCSJ-UHFFFAOYSA-N -1 3 252.619 3.361 20 0 CGADHM COc1cc([O-])c(C)c(OC2CC=CC2)c1C(C)=O ZINC001234792356 818924823 /nfs/dbraw/zinc/92/48/23/818924823.db2.gz ZBXMUWVFOYDAOH-UHFFFAOYSA-N -1 3 262.305 3.009 20 0 CGADHM [O-]c1cc(Cl)cc(-c2ncc(OCC3CC3)cn2)c1 ZINC001235899498 819209812 /nfs/dbraw/zinc/20/98/12/819209812.db2.gz GFSQQINHMADRII-UHFFFAOYSA-N -1 3 276.723 3.291 20 0 CGADHM Cc1nc2cccnc2c(-c2cc([O-])cc(Cl)c2)n1 ZINC001235900618 819210817 /nfs/dbraw/zinc/21/08/17/819210817.db2.gz YYZFFQODTBVAPN-UHFFFAOYSA-N -1 3 271.707 3.359 20 0 CGADHM CCOc1cc(C)ccc1-c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001243407846 823395061 /nfs/dbraw/zinc/39/50/61/823395061.db2.gz QRBCNEUDDDKYHR-UHFFFAOYSA-N -1 3 298.321 3.380 20 0 CGADHM CCOc1cc(C)ccc1-c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001243407846 823395065 /nfs/dbraw/zinc/39/50/65/823395065.db2.gz QRBCNEUDDDKYHR-UHFFFAOYSA-N -1 3 298.321 3.380 20 0 CGADHM Cc1ccc(F)c(-c2ccc(=O)n(-c3ccccc3)n2)c1[O-] ZINC001236413500 819458779 /nfs/dbraw/zinc/45/87/79/819458779.db2.gz BGGRJOGWJGMPPM-UHFFFAOYSA-N -1 3 296.301 3.053 20 0 CGADHM C[C@H]1CN(Cc2ccc(F)c([O-])c2)CCC1(F)F ZINC001236704716 819576599 /nfs/dbraw/zinc/57/65/99/819576599.db2.gz ZWFOLDOEAAAFGP-VIFPVBQESA-N -1 3 259.271 3.008 20 0 CGADHM [O-]c1cc(CN2CCc3ncc(Cl)cc3C2)ccc1F ZINC001236706849 819576682 /nfs/dbraw/zinc/57/66/82/819576682.db2.gz ABQLLVHYUDMVNP-UHFFFAOYSA-N -1 3 292.741 3.138 20 0 CGADHM [O-]c1cc(CN2CCC[C@@H](C(F)(F)F)C2)ccc1F ZINC001236705160 819577107 /nfs/dbraw/zinc/57/71/07/819577107.db2.gz FUVYPNWNECCZLC-SNVBAGLBSA-N -1 3 277.261 3.306 20 0 CGADHM [O-]c1cc(CN(Cc2ccco2)C2CC2)ccc1F ZINC001236706883 819577178 /nfs/dbraw/zinc/57/71/78/819577178.db2.gz ALWQGCJMBMQFPR-UHFFFAOYSA-N -1 3 261.296 3.289 20 0 CGADHM O=c1[n-]c(Cl)c(CN2CCC[C@@H]2c2ccncc2)s1 ZINC001237150509 819680372 /nfs/dbraw/zinc/68/03/72/819680372.db2.gz GTLUTEGNRBVYJR-SNVBAGLBSA-N -1 3 295.795 3.234 20 0 CGADHM F[C@@H]1CN(Cc2occc2[S-])CCCC1(F)F ZINC001237182195 819689715 /nfs/dbraw/zinc/68/97/15/819689715.db2.gz RKJKJGVYMKVUBP-SNVBAGLBSA-N -1 3 265.300 3.138 20 0 CGADHM CSc1ccnc(-c2cccc([O-])c2F)c1F ZINC001243541798 823435916 /nfs/dbraw/zinc/43/59/16/823435916.db2.gz IEEVLEAVNHSRKS-UHFFFAOYSA-N -1 3 253.273 3.454 20 0 CGADHM COc1cccc2ncnc(-c3cccc([O-])c3F)c21 ZINC001243543531 823436601 /nfs/dbraw/zinc/43/66/01/823436601.db2.gz GGUBLXZTLNULAH-UHFFFAOYSA-N -1 3 270.263 3.150 20 0 CGADHM CCOC(=O)/C=C/c1cccnc1-c1cccc([O-])c1F ZINC001243542917 823436793 /nfs/dbraw/zinc/43/67/93/823436793.db2.gz QIEXRHQZLBJLCQ-CMDGGOBGSA-N -1 3 287.290 3.170 20 0 CGADHM COC(OC)c1cc(C)cnc1-c1cccc([O-])c1F ZINC001243543635 823436870 /nfs/dbraw/zinc/43/68/70/823436870.db2.gz VJFROAJJCXEVLT-UHFFFAOYSA-N -1 3 277.295 3.193 20 0 CGADHM [O-]c1c(F)cc(CN2CC[C@@]3(C2)CCCOC3)cc1Cl ZINC001237993509 819905255 /nfs/dbraw/zinc/90/52/55/819905255.db2.gz RQGNUIALOCKWAP-OAHLLOKOSA-N -1 3 299.773 3.187 20 0 CGADHM O=c1ccc(-c2cccc([O-])c2F)cn1CC1CCC1 ZINC001243545967 823438691 /nfs/dbraw/zinc/43/86/91/823438691.db2.gz SJGCGTYTMZJCOR-UHFFFAOYSA-N -1 3 273.307 3.160 20 0 CGADHM COc1ccc(-c2cccc([O-])c2F)c(OC)c1OC ZINC001243546757 823438732 /nfs/dbraw/zinc/43/87/32/823438732.db2.gz TXWPFGDMEXRKGQ-UHFFFAOYSA-N -1 3 278.279 3.224 20 0 CGADHM O=C1NCCC/C1=C\c1cccc(-c2cccc([O-])c2F)c1 ZINC001243546256 823438947 /nfs/dbraw/zinc/43/89/47/823438947.db2.gz ZMIRAEJLAPRCPM-SDNWHVSQSA-N -1 3 297.329 3.492 20 0 CGADHM CCOC(=O)Cc1ccc(-c2cccc([O-])c2F)cc1F ZINC001243546282 823438974 /nfs/dbraw/zinc/43/89/74/823438974.db2.gz LUDXVXLJMXLXRT-UHFFFAOYSA-N -1 3 292.281 3.443 20 0 CGADHM COc1cc(OC)c(-c2cccc([O-])c2F)c(OC)c1 ZINC001243546487 823439059 /nfs/dbraw/zinc/43/90/59/823439059.db2.gz HYOGPZPXLSFCEA-UHFFFAOYSA-N -1 3 278.279 3.224 20 0 CGADHM O=C1c2cc(-c3cccc([O-])c3F)ccc2CN1C1CC1 ZINC001243546682 823439241 /nfs/dbraw/zinc/43/92/41/823439241.db2.gz CJVKVNNZXQDWMW-UHFFFAOYSA-N -1 3 283.302 3.317 20 0 CGADHM CC1(c2ccc(-c3cccc([O-])c3F)cc2)COC1 ZINC001243547781 823439539 /nfs/dbraw/zinc/43/95/39/823439539.db2.gz VSDUQNAVPBSPHE-UHFFFAOYSA-N -1 3 258.292 3.486 20 0 CGADHM [O-]c1cccc(-c2ccc(OC(F)F)nc2)c1F ZINC001243547520 823439545 /nfs/dbraw/zinc/43/95/45/823439545.db2.gz SURWKHNDCWFBKV-UHFFFAOYSA-N -1 3 255.195 3.195 20 0 CGADHM O=C1CCc2c(cccc2-c2cccc([O-])c2F)N1 ZINC001243547318 823439730 /nfs/dbraw/zinc/43/97/30/823439730.db2.gz PXMPCYQMJNFPKL-UHFFFAOYSA-N -1 3 257.264 3.083 20 0 CGADHM CN1CCOc2cc(-c3cccc([O-])c3F)ccc21 ZINC001243547829 823439897 /nfs/dbraw/zinc/43/98/97/823439897.db2.gz XNCPQTMOXIXLGM-UHFFFAOYSA-N -1 3 259.280 3.027 20 0 CGADHM O=C([O-])c1cc(F)ccc1CN1CCCCC12CC2 ZINC001238238072 819965861 /nfs/dbraw/zinc/96/58/61/819965861.db2.gz KBRKYQBGRCZOBC-UHFFFAOYSA-N -1 3 263.312 3.042 20 0 CGADHM CCOc1ccccc1-c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001239560987 820413520 /nfs/dbraw/zinc/41/35/20/820413520.db2.gz QXCDNGWWNNXQEM-UHFFFAOYSA-N -1 3 284.294 3.072 20 0 CGADHM CCOc1ccccc1-c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001239560987 820413526 /nfs/dbraw/zinc/41/35/26/820413526.db2.gz QXCDNGWWNNXQEM-UHFFFAOYSA-N -1 3 284.294 3.072 20 0 CGADHM CCc1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC001239588208 820437022 /nfs/dbraw/zinc/43/70/22/820437022.db2.gz ANRVHVCZNAIOMU-UHFFFAOYSA-N -1 3 250.305 3.096 20 0 CGADHM CCc1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC001239588208 820437025 /nfs/dbraw/zinc/43/70/25/820437025.db2.gz ANRVHVCZNAIOMU-UHFFFAOYSA-N -1 3 250.305 3.096 20 0 CGADHM Cn1ccc2cc(-c3ccc(F)c(-c4nnn[n-]4)c3)ccc21 ZINC001239943098 820723681 /nfs/dbraw/zinc/72/36/81/820723681.db2.gz XIOKXOZPIHBCJZ-UHFFFAOYSA-N -1 3 293.305 3.165 20 0 CGADHM Cn1ccc2cc(-c3ccc(F)c(-c4nn[n-]n4)c3)ccc21 ZINC001239943098 820723686 /nfs/dbraw/zinc/72/36/86/820723686.db2.gz XIOKXOZPIHBCJZ-UHFFFAOYSA-N -1 3 293.305 3.165 20 0 CGADHM FC(F)(F)c1cc(-c2ccc3n[nH]cc3c2)nc(=S)[n-]1 ZINC001240210702 820877160 /nfs/dbraw/zinc/87/71/60/820877160.db2.gz YUELKCIVJZJMIF-UHFFFAOYSA-N -1 3 296.277 3.327 20 0 CGADHM Cc1cc(-c2cc(F)cc(-c3nnn[n-]3)c2)c(C)s1 ZINC001240432369 821052955 /nfs/dbraw/zinc/05/29/55/821052955.db2.gz MDNGLAQNTIILLP-UHFFFAOYSA-N -1 3 274.324 3.351 20 0 CGADHM Cc1cc(-c2cc(F)cc(-c3nn[n-]n3)c2)c(C)s1 ZINC001240432369 821052965 /nfs/dbraw/zinc/05/29/65/821052965.db2.gz MDNGLAQNTIILLP-UHFFFAOYSA-N -1 3 274.324 3.351 20 0 CGADHM Cn1ccc2ccc(-c3cc(-c4nnn[n-]4)ccc3F)cc21 ZINC001240574776 821159637 /nfs/dbraw/zinc/15/96/37/821159637.db2.gz CIAHAYDMSKPLHW-UHFFFAOYSA-N -1 3 293.305 3.165 20 0 CGADHM Cn1ccc2ccc(-c3cc(-c4nn[n-]n4)ccc3F)cc21 ZINC001240574776 821159644 /nfs/dbraw/zinc/15/96/44/821159644.db2.gz CIAHAYDMSKPLHW-UHFFFAOYSA-N -1 3 293.305 3.165 20 0 CGADHM [O-]c1ccc(-c2ccnc(-c3cccnc3)n2)cc1F ZINC001240782354 821321767 /nfs/dbraw/zinc/32/17/67/821321767.db2.gz WZBPDIRVMIJEPL-UHFFFAOYSA-N -1 3 267.263 3.050 20 0 CGADHM COc1ccc2nc(C)nc(-c3ccc([O-])c(F)c3)c2c1 ZINC001240781971 821321799 /nfs/dbraw/zinc/32/17/99/821321799.db2.gz NFFMFCGSTKCFHT-UHFFFAOYSA-N -1 3 284.290 3.459 20 0 CGADHM CCOC(=O)c1ccnc(-c2ccc([O-])c(F)c2)c1C ZINC001240784320 821323533 /nfs/dbraw/zinc/32/35/33/821323533.db2.gz YKIMJKFOLJYWAB-UHFFFAOYSA-N -1 3 275.279 3.078 20 0 CGADHM Cc1cccc2c1ncnc2-c1ccc([O-])c(F)c1 ZINC001240783452 821324013 /nfs/dbraw/zinc/32/40/13/821324013.db2.gz RHPSKKJUICEDCN-UHFFFAOYSA-N -1 3 254.264 3.450 20 0 CGADHM [O-]c1ccc(-c2cc(OC(F)(F)F)ccn2)cc1F ZINC001240785819 821324346 /nfs/dbraw/zinc/32/43/46/821324346.db2.gz FYUMHHFSBHYAIO-UHFFFAOYSA-N -1 3 273.185 3.492 20 0 CGADHM O=C1CCc2cc(-c3ccc([O-])c(F)c3)ccc2N1 ZINC001240785873 821325301 /nfs/dbraw/zinc/32/53/01/821325301.db2.gz RCQTVMKKVNCNJC-UHFFFAOYSA-N -1 3 257.264 3.083 20 0 CGADHM O=C1CCCc2cc(-c3ccc([O-])c(F)c3)ccc2N1 ZINC001240786198 821325979 /nfs/dbraw/zinc/32/59/79/821325979.db2.gz AUKTUHITSMSHOB-UHFFFAOYSA-N -1 3 271.291 3.473 20 0 CGADHM [O-]c1ccc(-c2ccc(-c3ncccn3)cn2)cc1F ZINC001240786976 821326271 /nfs/dbraw/zinc/32/62/71/821326271.db2.gz FALLEUFHMHQJEZ-UHFFFAOYSA-N -1 3 267.263 3.050 20 0 CGADHM CC1(C)C(=O)Nc2ccc(-c3ccc([O-])c(F)c3)cc21 ZINC001240786765 821327255 /nfs/dbraw/zinc/32/72/55/821327255.db2.gz UAKQEFMITPVRFI-UHFFFAOYSA-N -1 3 271.291 3.428 20 0 CGADHM [O-]c1ccc(-c2cncc(OC(F)(F)F)c2)cc1F ZINC001240787770 821328391 /nfs/dbraw/zinc/32/83/91/821328391.db2.gz PSUYESRPEIWMQL-UHFFFAOYSA-N -1 3 273.185 3.492 20 0 CGADHM COC(=O)c1c(C)cc(-c2ccc([O-])c(F)c2)cc1F ZINC001240787735 821329549 /nfs/dbraw/zinc/32/95/49/821329549.db2.gz PCVWXZPEJFSLHI-UHFFFAOYSA-N -1 3 278.254 3.432 20 0 CGADHM [O-]c1ccc(-c2cc(C3OCCO3)ccc2F)cc1F ZINC001240788012 821329599 /nfs/dbraw/zinc/32/95/99/821329599.db2.gz WNEBIQUVBVYURS-UHFFFAOYSA-N -1 3 278.254 3.383 20 0 CGADHM COC(=O)c1c(F)c(C)ccc1-c1ccc([O-])c(F)c1 ZINC001240790938 821333369 /nfs/dbraw/zinc/33/33/69/821333369.db2.gz RFBHMBWIFKEZIN-UHFFFAOYSA-N -1 3 278.254 3.432 20 0 CGADHM Cc1ccc(-c2cncc(-c3nnn[n-]3)c2)c2ccccc12 ZINC001241004457 821483519 /nfs/dbraw/zinc/48/35/19/821483519.db2.gz HKORGFCYZWAADB-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM Cc1ccc(-c2cncc(-c3nn[n-]n3)c2)c2ccccc12 ZINC001241004457 821483520 /nfs/dbraw/zinc/48/35/20/821483520.db2.gz HKORGFCYZWAADB-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM Cc1ccc(-c2ccc(OCC(F)(F)F)nn2)c([O-])c1 ZINC001241036295 821511352 /nfs/dbraw/zinc/51/13/52/821511352.db2.gz SHPIBXFKTIZRFJ-UHFFFAOYSA-N -1 3 284.237 3.099 20 0 CGADHM CCOc1cccc(-c2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC001241115726 821570653 /nfs/dbraw/zinc/57/06/53/821570653.db2.gz CDFGUXNZOVJIGZ-UHFFFAOYSA-N -1 3 284.294 3.072 20 0 CGADHM CCOc1cccc(-c2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC001241115726 821570662 /nfs/dbraw/zinc/57/06/62/821570662.db2.gz CDFGUXNZOVJIGZ-UHFFFAOYSA-N -1 3 284.294 3.072 20 0 CGADHM CSc1nc2[nH]ccc2c(-c2cc([O-])cc(F)c2)n1 ZINC001241256863 821677233 /nfs/dbraw/zinc/67/72/33/821677233.db2.gz BWNCQCCICVQDRK-UHFFFAOYSA-N -1 3 275.308 3.143 20 0 CGADHM CC(=O)Nc1ccc(-c2cc([O-])cc(F)c2)cc1F ZINC001241266415 821685746 /nfs/dbraw/zinc/68/57/46/821685746.db2.gz JVJACVQHWUXMRQ-UHFFFAOYSA-N -1 3 263.243 3.296 20 0 CGADHM COC(=O)c1cccc(F)c1-c1cc([O-])cc(F)c1 ZINC001241271213 821690089 /nfs/dbraw/zinc/69/00/89/821690089.db2.gz MVERAKZQWIVCAT-UHFFFAOYSA-N -1 3 264.227 3.124 20 0 CGADHM [O-]c1cc(F)cc(-c2ccc(-n3ccnc3)cc2)c1 ZINC001241271764 821690357 /nfs/dbraw/zinc/69/03/57/821690357.db2.gz KAMWDXFDRZXBHU-UHFFFAOYSA-N -1 3 254.264 3.384 20 0 CGADHM CCOc1ccc(-c2ccccc2-c2nnn[n-]2)c(F)c1 ZINC001241273832 821692305 /nfs/dbraw/zinc/69/23/05/821692305.db2.gz GNIAEIWHEXBFOO-UHFFFAOYSA-N -1 3 284.294 3.072 20 0 CGADHM CCOc1ccc(-c2ccccc2-c2nn[n-]n2)c(F)c1 ZINC001241273832 821692312 /nfs/dbraw/zinc/69/23/12/821692312.db2.gz GNIAEIWHEXBFOO-UHFFFAOYSA-N -1 3 284.294 3.072 20 0 CGADHM COCc1ccc(-c2cc([O-])cc(F)c2)c(F)c1 ZINC001241276691 821695438 /nfs/dbraw/zinc/69/54/38/821695438.db2.gz BGSBGSRWHNOLSO-UHFFFAOYSA-N -1 3 250.244 3.484 20 0 CGADHM COc1ccc(-c2cc([O-])cc(F)c2)cc1NC(C)=O ZINC001241277101 821695501 /nfs/dbraw/zinc/69/55/01/821695501.db2.gz GDTDUCWIGMLRLA-UHFFFAOYSA-N -1 3 275.279 3.165 20 0 CGADHM [O-]c1cc(F)cc(-c2cn3ncnc3cc2C(F)(F)F)c1 ZINC001241283647 821702718 /nfs/dbraw/zinc/70/27/18/821702718.db2.gz XAYQELFNWDFVKM-UHFFFAOYSA-N -1 3 297.211 3.260 20 0 CGADHM [O-]c1ccc(F)c(-c2ccc3c(c2)CCOC3)c1F ZINC001241291090 821707703 /nfs/dbraw/zinc/70/77/03/821707703.db2.gz JEBFVKWRJLVONB-UHFFFAOYSA-N -1 3 262.255 3.410 20 0 CGADHM COC(=O)c1cccc(C)c1-c1c(F)ccc([O-])c1F ZINC001241292967 821710682 /nfs/dbraw/zinc/71/06/82/821710682.db2.gz PDTXCNFKHACFDQ-UHFFFAOYSA-N -1 3 278.254 3.432 20 0 CGADHM O=C1OCc2cc(-c3c(F)ccc([O-])c3F)ccc21 ZINC001241292921 821711032 /nfs/dbraw/zinc/71/10/32/821711032.db2.gz NQUYZSDCYUPUJG-UHFFFAOYSA-N -1 3 262.211 3.008 20 0 CGADHM Cn1cc(-c2c(F)ccc([O-])c2F)c2ccccc2c1=O ZINC001241293391 821711167 /nfs/dbraw/zinc/71/11/67/821711167.db2.gz VCYNOLBXWPNLRW-UHFFFAOYSA-N -1 3 287.265 3.189 20 0 CGADHM [O-]c1ccc(F)c(-c2ccc3c(c2)[C@@H](O)CCO3)c1F ZINC001241293626 821711562 /nfs/dbraw/zinc/71/15/62/821711562.db2.gz XJLNQKGIWJOCFF-NSHDSACASA-N -1 3 278.254 3.153 20 0 CGADHM CCOc1cc(-c2c(F)ccc([O-])c2F)cnc1F ZINC001241294896 821712473 /nfs/dbraw/zinc/71/24/73/821712473.db2.gz AIMALCGHCRJGSO-UHFFFAOYSA-N -1 3 269.222 3.270 20 0 CGADHM CC(C)(C)c1ncncc1-c1c(F)ccc([O-])c1F ZINC001241294059 821712493 /nfs/dbraw/zinc/71/24/93/821712493.db2.gz JEWFRMBMFDTDPP-UHFFFAOYSA-N -1 3 264.275 3.425 20 0 CGADHM FC(F)Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001241443301 821836356 /nfs/dbraw/zinc/83/63/56/821836356.db2.gz FQBHLNFXCPAABL-UHFFFAOYSA-N -1 3 288.257 3.135 20 0 CGADHM FC(F)Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001241443301 821836367 /nfs/dbraw/zinc/83/63/67/821836367.db2.gz FQBHLNFXCPAABL-UHFFFAOYSA-N -1 3 288.257 3.135 20 0 CGADHM Fc1ccc2cccnc2c1-c1ccc(-c2nnn[n-]2)cc1 ZINC001241444419 821837841 /nfs/dbraw/zinc/83/78/41/821837841.db2.gz AZKMBKJZNIYIBS-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Fc1ccc2cccnc2c1-c1ccc(-c2nn[n-]n2)cc1 ZINC001241444419 821837848 /nfs/dbraw/zinc/83/78/48/821837848.db2.gz AZKMBKJZNIYIBS-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Cn1ccc2c1cccc2-c1ccc(-c2nnn[n-]2)cc1 ZINC001241445450 821839606 /nfs/dbraw/zinc/83/96/06/821839606.db2.gz OAGCKSPZVXIGCS-UHFFFAOYSA-N -1 3 275.315 3.025 20 0 CGADHM Cn1ccc2c1cccc2-c1ccc(-c2nn[n-]n2)cc1 ZINC001241445450 821839611 /nfs/dbraw/zinc/83/96/11/821839611.db2.gz OAGCKSPZVXIGCS-UHFFFAOYSA-N -1 3 275.315 3.025 20 0 CGADHM Cc1ccc(-c2ccc(-c3nnn[n-]3)cc2)c2cc[nH]c21 ZINC001241445748 821839650 /nfs/dbraw/zinc/83/96/50/821839650.db2.gz WPKYOYXVGVCKLY-UHFFFAOYSA-N -1 3 275.315 3.323 20 0 CGADHM Cc1ccc(-c2ccc(-c3nn[n-]n3)cc2)c2cc[nH]c21 ZINC001241445748 821839659 /nfs/dbraw/zinc/83/96/59/821839659.db2.gz WPKYOYXVGVCKLY-UHFFFAOYSA-N -1 3 275.315 3.323 20 0 CGADHM Cc1nc2cccc(-c3ccc(-c4nnn[n-]4)cc3)c2s1 ZINC001241446036 821839987 /nfs/dbraw/zinc/83/99/87/821839987.db2.gz HQUOKKWBHFGXJU-UHFFFAOYSA-N -1 3 293.355 3.452 20 0 CGADHM Cc1nc2cccc(-c3ccc(-c4nn[n-]n4)cc3)c2s1 ZINC001241446036 821839994 /nfs/dbraw/zinc/83/99/94/821839994.db2.gz HQUOKKWBHFGXJU-UHFFFAOYSA-N -1 3 293.355 3.452 20 0 CGADHM Fc1cc2cccnc2c(-c2ccc(-c3nnn[n-]3)cc2)c1 ZINC001241445432 821840350 /nfs/dbraw/zinc/84/03/50/821840350.db2.gz NHAXNZHRVKOTJZ-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Fc1cc2cccnc2c(-c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001241445432 821840354 /nfs/dbraw/zinc/84/03/54/821840354.db2.gz NHAXNZHRVKOTJZ-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM COc1ccc(-c2ccc3c(c2)[N-]C(=S)C3)c(OC)n1 ZINC001241578743 821965115 /nfs/dbraw/zinc/96/51/15/821965115.db2.gz GHADAVUBRHCBKG-UHFFFAOYSA-N -1 3 286.356 3.061 20 0 CGADHM CCOc1ccc(-c2ccc(=S)[n-]n2)c(Cl)c1 ZINC001241848701 822179768 /nfs/dbraw/zinc/17/97/68/822179768.db2.gz KTZJDKAHEFRAJR-UHFFFAOYSA-N -1 3 266.753 3.484 20 0 CGADHM COc1cccc(-c2ccc(=S)[n-]n2)c1Cl ZINC001241857108 822181688 /nfs/dbraw/zinc/18/16/88/822181688.db2.gz TZCGBJGAMHTCLW-UHFFFAOYSA-N -1 3 252.726 3.094 20 0 CGADHM CNc1ccc(-c2ccc3c(c2)[N-]C(=S)C3)cn1 ZINC001242072897 822333357 /nfs/dbraw/zinc/33/33/57/822333357.db2.gz JKEQKDVOHSQOQE-UHFFFAOYSA-N -1 3 255.346 3.086 20 0 CGADHM COC(=O)c1cc(F)c(C)c(-c2ccc(F)cc2[O-])c1 ZINC001242219648 822916305 /nfs/dbraw/zinc/91/63/05/822916305.db2.gz ZCLLPYQHUOFKAR-UHFFFAOYSA-N -1 3 278.254 3.432 20 0 CGADHM COC(=O)c1cc(C)cc(-c2ccc(F)cc2[O-])c1 ZINC001242220698 822916919 /nfs/dbraw/zinc/91/69/19/822916919.db2.gz LTGRECBKSXCQQU-UHFFFAOYSA-N -1 3 260.264 3.293 20 0 CGADHM CCCC=Cc1cccnc1NC(=S)[N-]C(=O)OCC ZINC001242256730 822928876 /nfs/dbraw/zinc/92/88/76/822928876.db2.gz UEWPLBLGZAWHJK-SOFGYWHQSA-N -1 3 293.392 3.338 20 0 CGADHM Nc1ccnc2cc(-c3cccc(CC(=O)[O-])c3)ccc12 ZINC001242264684 822930754 /nfs/dbraw/zinc/93/07/54/822930754.db2.gz ZERMAUIDVOQWEC-UHFFFAOYSA-N -1 3 278.311 3.111 20 0 CGADHM CC(=O)Nc1ccc(F)cc1-c1cccc(F)c1[O-] ZINC001242351787 822961955 /nfs/dbraw/zinc/96/19/55/822961955.db2.gz TVSJTANBTBAWHK-UHFFFAOYSA-N -1 3 263.243 3.296 20 0 CGADHM [O-]c1c(F)cccc1-c1ccc2nnc(C3CC3)n2c1 ZINC001242352730 822962464 /nfs/dbraw/zinc/96/24/64/822962464.db2.gz OPWQITVEYMZHPX-UHFFFAOYSA-N -1 3 269.279 3.118 20 0 CGADHM O=c1nc(Cl)cc(Sc2cccc(F)c2)[n-]1 ZINC001306988830 932905085 /nfs/dbraw/zinc/90/50/85/932905085.db2.gz HVXSMNKFOMQZHW-UHFFFAOYSA-N -1 3 256.689 3.126 20 0 CGADHM CC(C)(C)O[N-]C(=O)C1(CCc2ccccc2)CC1 ZINC001343305356 936493801 /nfs/dbraw/zinc/49/38/01/936493801.db2.gz JZLOAFFBPVDODT-UHFFFAOYSA-N -1 3 261.365 3.246 20 0 CGADHM CC[C@H]1CCN(Cc2c(F)ccc([O-])c2F)[C@H]1C ZINC001474460449 937861066 /nfs/dbraw/zinc/86/10/66/937861066.db2.gz YMCLFNPJADRSMC-UWVGGRQHSA-N -1 3 255.308 3.291 20 0 CGADHM CC(C)c1oncc1[N-]C(=O)c1ccoc1Br ZINC001353789384 937077075 /nfs/dbraw/zinc/07/70/75/937077075.db2.gz OQCWEWOAXDMHRW-UHFFFAOYSA-N -1 3 299.124 3.406 20 0 CGADHM COc1ccccc1CSc1cc(Cl)nc(=O)[n-]1 ZINC001421081578 937246138 /nfs/dbraw/zinc/24/61/38/937246138.db2.gz KRZXIOXPMMOVGF-UHFFFAOYSA-N -1 3 282.752 3.137 20 0 CGADHM O=C([N-]c1c(F)cc(F)cc1F)c1cc2ncccc2o1 ZINC001435354421 937257404 /nfs/dbraw/zinc/25/74/04/937257404.db2.gz GBPYXZFYEUGOBC-UHFFFAOYSA-N -1 3 292.216 3.497 20 0 CGADHM CCCC[C@@H](CCC)NC(=O)c1ccc(OC)cc1[O-] ZINC000226038032 928732599 /nfs/dbraw/zinc/73/25/99/928732599.db2.gz CAPZIYHFIRJFNH-GFCCVEGCSA-N -1 3 279.380 3.490 20 0 CGADHM CCOc1ccc(OC(=O)c2ccc(F)c([O-])c2)cc1 ZINC001440659177 937332152 /nfs/dbraw/zinc/33/21/52/937332152.db2.gz QNEKGFSKCJLEHF-UHFFFAOYSA-N -1 3 276.263 3.149 20 0 CGADHM CC[C@@H](Cc1cccc(C)c1)C(=O)[N-]O[C@@H]1CCCCO1 ZINC001442533616 937342537 /nfs/dbraw/zinc/34/25/37/937342537.db2.gz SFDNEOIGDYZYCO-JKSUJKDBSA-N -1 3 291.391 3.138 20 0 CGADHM C[C@@H](NC(=O)c1cccc2n[n-]nc21)C1CCCCCC1 ZINC001447501763 937369317 /nfs/dbraw/zinc/36/93/17/937369317.db2.gz FBWMDBLPBHKCAX-LLVKDONJSA-N -1 3 286.379 3.047 20 0 CGADHM CC(C)n1ccnc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC001546000469 937370913 /nfs/dbraw/zinc/37/09/13/937370913.db2.gz PHSZKJBNZYIAKJ-UHFFFAOYSA-N -1 3 279.727 3.075 20 0 CGADHM Nc1cc(F)c(F)cc1C(=O)Nc1c([O-])cccc1Cl ZINC001450270900 937384439 /nfs/dbraw/zinc/38/44/39/937384439.db2.gz ZMYPCXPRJMLMGU-UHFFFAOYSA-N -1 3 298.676 3.158 20 0 CGADHM O=C(Nc1c([O-])cccc1Cl)c1ccc(F)s1 ZINC001450263364 937384452 /nfs/dbraw/zinc/38/44/52/937384452.db2.gz RKNINYCIOGFNMG-UHFFFAOYSA-N -1 3 271.700 3.499 20 0 CGADHM CCC1(CC)[C@H](NC(=O)c2ccc(C)cc2[O-])C[C@@H]1OC ZINC001546060792 937408457 /nfs/dbraw/zinc/40/84/57/937408457.db2.gz JREGVOFQMCAEIP-CABCVRRESA-N -1 3 291.391 3.024 20 0 CGADHM O=C(CCc1cccc(F)c1F)[N-]Oc1ccccc1F ZINC001455475127 937418072 /nfs/dbraw/zinc/41/80/72/937418072.db2.gz GTVDRLHNJNMRDN-UHFFFAOYSA-N -1 3 295.260 3.147 20 0 CGADHM O=C([N-]c1csnc1-c1ccccc1)c1cocn1 ZINC001456538879 937431847 /nfs/dbraw/zinc/43/18/47/937431847.db2.gz IXVODUULCXUCPF-UHFFFAOYSA-N -1 3 271.301 3.050 20 0 CGADHM CC(C)Cc1coc([N-]C(=O)c2nnc(C(C)C)s2)n1 ZINC001457101458 937438452 /nfs/dbraw/zinc/43/84/52/937438452.db2.gz LXWUFQZKPRBYHS-UHFFFAOYSA-N -1 3 294.380 3.100 20 0 CGADHM CC(C)CO[N-]C(=O)C[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC001457726919 937445436 /nfs/dbraw/zinc/44/54/36/937445436.db2.gz YWAHHOGYXLAZEG-QWRGUYRKSA-N -1 3 281.318 3.449 20 0 CGADHM CC[C@@H]1CCCC[C@@H]1CNC(=O)c1c([O-])cccc1O ZINC001457861550 937446532 /nfs/dbraw/zinc/44/65/32/937446532.db2.gz SUNQXCLLEQGPNG-VXGBXAGGSA-N -1 3 277.364 3.044 20 0 CGADHM CC(=O)c1cc(C(C)C)c([O-])cc1OC1CCOCC1 ZINC001228958609 932060395 /nfs/dbraw/zinc/06/03/95/932060395.db2.gz NHQILTMMKZIHSY-UHFFFAOYSA-N -1 3 278.348 3.276 20 0 CGADHM CCCC/C=C/[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC001229950936 932507720 /nfs/dbraw/zinc/50/77/20/932507720.db2.gz OOCALFWKUPFGMO-LZGFCCKTSA-N -1 3 272.352 3.380 20 0 CGADHM CCCC/C=C/[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC001229950936 932507725 /nfs/dbraw/zinc/50/77/25/932507725.db2.gz OOCALFWKUPFGMO-LZGFCCKTSA-N -1 3 272.352 3.380 20 0 CGADHM CC(C)C1CCC(Oc2ccccc2-c2nnn[n-]2)CC1 ZINC001229953962 932508577 /nfs/dbraw/zinc/50/85/77/932508577.db2.gz GOYIKLZXTOYLOZ-UHFFFAOYSA-N -1 3 286.379 3.460 20 0 CGADHM CC(C)C1CCC(Oc2ccccc2-c2nn[n-]n2)CC1 ZINC001229953962 932508579 /nfs/dbraw/zinc/50/85/79/932508579.db2.gz GOYIKLZXTOYLOZ-UHFFFAOYSA-N -1 3 286.379 3.460 20 0 CGADHM CC1(C)[C@H]2CC[C@]1(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C2 ZINC001229955473 932510370 /nfs/dbraw/zinc/51/03/70/932510370.db2.gz WHKIOLHKUFUOSA-FABXCBLPSA-N -1 3 298.390 3.460 20 0 CGADHM CC1(C)[C@H]2CC[C@]1(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C2 ZINC001229955473 932510372 /nfs/dbraw/zinc/51/03/72/932510372.db2.gz WHKIOLHKUFUOSA-FABXCBLPSA-N -1 3 298.390 3.460 20 0 CGADHM C[C@@H](Oc1nc(=O)[n-]c2c1SCC2)c1cccs1 ZINC001230790611 932624436 /nfs/dbraw/zinc/62/44/36/932624436.db2.gz OAUILEMWTWXYDA-SSDOTTSWSA-N -1 3 280.374 3.032 20 0 CGADHM CC[C@@H](C)C[C@@H](CC)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001231072457 932671396 /nfs/dbraw/zinc/67/13/96/932671396.db2.gz CPYUDCGUSYDKJO-DGCLKSJQSA-N -1 3 274.368 3.460 20 0 CGADHM CCC(CC)[C@H](CC)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001231073760 932672402 /nfs/dbraw/zinc/67/24/02/932672402.db2.gz MUYCFUUMAFBQTO-AWEZNQCLSA-N -1 3 274.368 3.460 20 0 CGADHM c1cc(-c2nn[n-]n2)ccc1OC1CCCCCCC1 ZINC001231076124 932672666 /nfs/dbraw/zinc/67/26/66/932672666.db2.gz IMXWDNQZRXGVRW-UHFFFAOYSA-N -1 3 272.352 3.358 20 0 CGADHM Cc1cccc2c1[C@H](Oc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC001231073908 932672960 /nfs/dbraw/zinc/67/29/60/932672960.db2.gz NXNWWKIYUNVKQY-OAHLLOKOSA-N -1 3 292.342 3.241 20 0 CGADHM CSc1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC001242943542 932705461 /nfs/dbraw/zinc/70/54/61/932705461.db2.gz IGKOGFMXWUTYLP-UHFFFAOYSA-N -1 3 268.345 3.256 20 0 CGADHM CSc1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC001242943542 932705463 /nfs/dbraw/zinc/70/54/63/932705463.db2.gz IGKOGFMXWUTYLP-UHFFFAOYSA-N -1 3 268.345 3.256 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2nc(CC(C)C)co2)c1 ZINC001305255124 932863789 /nfs/dbraw/zinc/86/37/89/932863789.db2.gz ZKVZKUDRYYPWGV-UHFFFAOYSA-N -1 3 288.347 3.393 20 0 CGADHM C[C@@H](NC(=O)c1c([O-])cccc1O)C1CCCCCC1 ZINC001306823480 932888848 /nfs/dbraw/zinc/88/88/48/932888848.db2.gz IYPJVTHVFNTVQS-LLVKDONJSA-N -1 3 277.364 3.187 20 0 CGADHM CCC[C@H](CC)[N-]S(=O)(=O)c1ccc(C)c(F)c1F ZINC001309128842 933228064 /nfs/dbraw/zinc/22/80/64/933228064.db2.gz KKPJRWVTYAYUOG-JTQLQIEISA-N -1 3 291.363 3.130 20 0 CGADHM CCN(C(=O)Cc1ccc([O-])c(F)c1)c1cccc(C)c1 ZINC001464028655 937684801 /nfs/dbraw/zinc/68/48/01/937684801.db2.gz UIUKRXMLNHMWRH-UHFFFAOYSA-N -1 3 287.334 3.435 20 0 CGADHM CCOCCN(CC)C(=O)c1cc2sccc2c([O-])c1 ZINC001464956879 937696708 /nfs/dbraw/zinc/69/67/08/937696708.db2.gz ZZLKLOYLVYLDAF-UHFFFAOYSA-N -1 3 293.388 3.106 20 0 CGADHM CC(C)c1cccc(C(=O)Nc2ncccc2[O-])c1 ZINC001466805462 937712649 /nfs/dbraw/zinc/71/26/49/937712649.db2.gz KCWGSLWZNZXYRJ-UHFFFAOYSA-N -1 3 256.305 3.163 20 0 CGADHM O=C([N-]Cc1ccccn1)C(F)(F)c1ccc(Cl)cc1 ZINC001318981858 933806174 /nfs/dbraw/zinc/80/61/74/933806174.db2.gz NVYIKBXVCZCHSE-UHFFFAOYSA-N -1 3 296.704 3.143 20 0 CGADHM O=C(Nc1[nH][n-]c2cc(=O)ccc1-2)[C@@H]1CCC=CCCC1 ZINC001468311462 937726844 /nfs/dbraw/zinc/72/68/44/937726844.db2.gz RPLXOHTWKUJSTK-LLVKDONJSA-N -1 3 285.347 3.344 20 0 CGADHM O=C(Nc1c([O-])cccc1Cl)[C@H]1Cc2ccc(F)cc21 ZINC001468455069 937728220 /nfs/dbraw/zinc/72/82/20/937728220.db2.gz IJKQJCLSOXGKII-NSHDSACASA-N -1 3 291.709 3.463 20 0 CGADHM Cc1cnc(F)c(C(=O)Nc2c([O-])cccc2Cl)c1 ZINC001468454715 937728350 /nfs/dbraw/zinc/72/83/50/937728350.db2.gz GNZOLMFJUWNCPX-UHFFFAOYSA-N -1 3 280.686 3.140 20 0 CGADHM Cc1ccc([O-])c(NC(=O)C(F)(F)c2ccccc2C)n1 ZINC001320077224 933992158 /nfs/dbraw/zinc/99/21/58/933992158.db2.gz LSWXESISDDLNHK-UHFFFAOYSA-N -1 3 292.285 3.135 20 0 CGADHM C[C@H]1CN(C(=O)Cc2ccc([O-])c(F)c2)c2ccccc21 ZINC001469209738 937736938 /nfs/dbraw/zinc/73/69/38/937736938.db2.gz CDTJIJRYDYHYOS-NSHDSACASA-N -1 3 285.318 3.224 20 0 CGADHM COc1ccccc1CO[N-]C(=O)CC(C1CC1)C1CC1 ZINC001321340112 934176966 /nfs/dbraw/zinc/17/69/66/934176966.db2.gz KXBAEXWHQKECDR-UHFFFAOYSA-N -1 3 289.375 3.069 20 0 CGADHM Cc1ccc(C(=O)NC2(C)CCC(C)CC2)c([O-])c1 ZINC001546188246 937768190 /nfs/dbraw/zinc/76/81/90/937768190.db2.gz SACUQXYXQDIVJB-UHFFFAOYSA-N -1 3 261.365 3.399 20 0 CGADHM CC(F)(F)CCNC(=O)c1cc2sccc2c([O-])c1 ZINC001326589179 934992871 /nfs/dbraw/zinc/99/28/71/934992871.db2.gz DXTRNWFREIOPQB-UHFFFAOYSA-N -1 3 285.315 3.382 20 0 CGADHM CCCc1ccc(COC(=O)c2cncc([O-])c2)cc1 ZINC001327814642 935086650 /nfs/dbraw/zinc/08/66/50/935086650.db2.gz WIHYISPAIHKYSC-UHFFFAOYSA-N -1 3 271.316 3.097 20 0 CGADHM C[C@H](CCC(=O)[O-])CNCc1nc(C(C)(C)C)cs1 ZINC001331910731 935421221 /nfs/dbraw/zinc/42/12/21/935421221.db2.gz FSIQHCLSWBQBLU-SNVBAGLBSA-N -1 3 284.425 3.031 20 0 CGADHM CCSc1ccccc1CC(=O)[N-]OC(C)(C)C ZINC001333872424 936072164 /nfs/dbraw/zinc/07/21/64/936072164.db2.gz KBQUFEWSQBXOBN-UHFFFAOYSA-N -1 3 267.394 3.187 20 0 CGADHM C[C@@H](C1CC1)n1nccc1NCc1ccc([O-])c(F)c1 ZINC001334167308 936088023 /nfs/dbraw/zinc/08/80/23/936088023.db2.gz FOFFUKOWHPIWKX-JTQLQIEISA-N -1 3 275.327 3.311 20 0 CGADHM COc1cccc([N-]C(=O)c2ocnc2C(F)F)c1F ZINC001529906362 938075266 /nfs/dbraw/zinc/07/52/66/938075266.db2.gz AQIZGXXQGZQPIA-UHFFFAOYSA-N -1 3 286.209 3.012 20 0 CGADHM Cc1coc(C(=O)[N-]c2nc(Cc3ccccc3)ns2)c1 ZINC001530602066 938078568 /nfs/dbraw/zinc/07/85/68/938078568.db2.gz DOVFIGMDINXHRJ-UHFFFAOYSA-N -1 3 299.355 3.283 20 0 CGADHM Cc1noc(C)c1C(=O)[N-]c1cc(F)c(F)c(F)c1F ZINC001535466896 938101488 /nfs/dbraw/zinc/10/14/88/938101488.db2.gz RRVJWIHVXIVDQK-UHFFFAOYSA-N -1 3 288.200 3.100 20 0 CGADHM COC(=O)c1ccc(C(=O)[N-]c2cscc2Cl)o1 ZINC001537295766 938109269 /nfs/dbraw/zinc/10/92/69/938109269.db2.gz XFOFCPFLILKXSW-UHFFFAOYSA-N -1 3 285.708 3.033 20 0 CGADHM CCOc1ccc(OC(=O)Cc2ccc([O-])c(F)c2)cc1 ZINC001540515651 938131819 /nfs/dbraw/zinc/13/18/19/938131819.db2.gz LKDWOMRKJYFNCM-UHFFFAOYSA-N -1 3 290.290 3.078 20 0 CGADHM Cc1cccc([O-])c1C(=O)NCc1ccc(OC(C)C)cc1 ZINC001540620844 938132496 /nfs/dbraw/zinc/13/24/96/938132496.db2.gz IEBMRSBJEHWTPQ-UHFFFAOYSA-N -1 3 299.370 3.418 20 0 CGADHM CCOc1cccc(CNC(=O)c2c(C)cccc2[O-])c1 ZINC001540926048 938134533 /nfs/dbraw/zinc/13/45/33/938134533.db2.gz VDIDUDJJGLDJIX-UHFFFAOYSA-N -1 3 285.343 3.029 20 0 CGADHM CSc1ccc([O-])c(C(=O)N(C)Cc2ccsc2)c1 ZINC001543158804 938138041 /nfs/dbraw/zinc/13/80/41/938138041.db2.gz GMNALWDKIWFBSX-UHFFFAOYSA-N -1 3 293.413 3.448 20 0 CGADHM Cc1cccc([O-])c1C(=O)N[C@H]1C[C@@]1(C)c1ccccc1 ZINC001544980410 938148001 /nfs/dbraw/zinc/14/80/01/938148001.db2.gz RQYLRKQPLPSUOU-YJBOKZPZSA-N -1 3 281.355 3.161 20 0 CGADHM O=C(Nc1cncc(F)c1)c1cc2sccc2c([O-])c1 ZINC001556405707 938203503 /nfs/dbraw/zinc/20/35/03/938203503.db2.gz FEDFJRWHEQFSNB-UHFFFAOYSA-N -1 3 288.303 3.393 20 0 CGADHM COc1cccc(C)c1NC(=O)Cc1ccc([O-])c(F)c1 ZINC001556405274 938203555 /nfs/dbraw/zinc/20/35/55/938203555.db2.gz NKMTZBJZLLYEMN-UHFFFAOYSA-N -1 3 289.306 3.030 20 0 CGADHM Cc1cccc([O-])c1C(=O)NCCCc1ccccc1F ZINC001556462362 938203853 /nfs/dbraw/zinc/20/38/53/938203853.db2.gz VRLWBSSLQYCMIP-UHFFFAOYSA-N -1 3 287.334 3.202 20 0 CGADHM CC[C@H](C)[C@H](CNC(=O)c1ccc(C(C)C)cc1[O-])OC ZINC001556689611 938205059 /nfs/dbraw/zinc/20/50/59/938205059.db2.gz WZNDNHMFXOOUDH-LRDDRELGSA-N -1 3 293.407 3.307 20 0 CGADHM CC[C@H](C)[C@@H](CNC(=O)c1ccc(C(C)C)cc1[O-])OC ZINC001556689610 938205119 /nfs/dbraw/zinc/20/51/19/938205119.db2.gz WZNDNHMFXOOUDH-BLLLJJGKSA-N -1 3 293.407 3.307 20 0 CGADHM CCc1ccc(C(=O)N[C@H]2C[C@]2(C)C(C)C)c([O-])c1 ZINC001556942918 938206693 /nfs/dbraw/zinc/20/66/93/938206693.db2.gz LAXNGTPRNKWDGG-GOEBONIOSA-N -1 3 261.365 3.119 20 0 CGADHM COc1cccc([O-])c1C(=O)N1Cc2ccccc2[C@@H]1C ZINC001557683213 938211487 /nfs/dbraw/zinc/21/14/87/938211487.db2.gz UFJWIUTUBLPMPK-NSHDSACASA-N -1 3 283.327 3.118 20 0 CGADHM Cc1ncccc1CNC(=O)c1cc([O-])c2ccccc2c1 ZINC001557843117 938212170 /nfs/dbraw/zinc/21/21/70/938212170.db2.gz CFKUIMZWALGPQK-UHFFFAOYSA-N -1 3 292.338 3.179 20 0 CGADHM COc1ccc(NC(=O)c2cccc(C)c2[O-])c(F)c1 ZINC001557943085 938212662 /nfs/dbraw/zinc/21/26/62/938212662.db2.gz QLCSHXBKVGCFSA-UHFFFAOYSA-N -1 3 275.279 3.101 20 0 CGADHM Cc1cccc([O-])c1C(=O)Nc1ccc(N(C)C)c(F)c1 ZINC001558024005 938213201 /nfs/dbraw/zinc/21/32/01/938213201.db2.gz NJOOFZQDCVHHQD-UHFFFAOYSA-N -1 3 288.322 3.158 20 0 CGADHM Cc1cccc([O-])c1C(=O)NC[C@H]1C[C@H]1C1CCCC1 ZINC001558843705 938218088 /nfs/dbraw/zinc/21/80/88/938218088.db2.gz WAGPCFGBGISRJK-KGLIPLIRSA-N -1 3 273.376 3.257 20 0 CGADHM Cc1ccc(OCc2cc(=O)[n-]c(-c3ccccc3)n2)nc1 ZINC001559375448 938225925 /nfs/dbraw/zinc/22/59/25/938225925.db2.gz UOGKORZUZHRDDX-UHFFFAOYSA-N -1 3 293.326 3.132 20 0 CGADHM CCc1ccc2c(c1)CN([C@H](C)c1nc(C)cc(=O)[n-]1)CC2 ZINC001560241863 938248686 /nfs/dbraw/zinc/24/86/86/938248686.db2.gz QQLQBXNPPFIWQJ-CYBMUJFWSA-N -1 3 297.402 3.172 20 0 CGADHM CN(Cc1ccc(C(=O)[O-])cc1)Cc1cccc(F)c1 ZINC000019982909 948790883 /nfs/dbraw/zinc/79/08/83/948790883.db2.gz HHXBOGADAQGAET-UHFFFAOYSA-N -1 3 273.307 3.156 20 0 CGADHM Cc1oc(C(=O)[O-])cc1CN1CC=C(C(C)(C)C)CC1 ZINC000382535078 971820483 /nfs/dbraw/zinc/82/04/83/971820483.db2.gz NXYDJOOSUBMFQK-UHFFFAOYSA-N -1 3 277.364 3.464 20 0 CGADHM CNc1ccc(C)cc1CN[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001593803661 954870650 /nfs/dbraw/zinc/87/06/50/954870650.db2.gz PFVHLJUIAOKCIY-GOSISDBHSA-N -1 3 298.386 3.126 20 0 CGADHM O=C([O-])[C@H]1CN(CC2CC3(CCC3)C2)Cc2ccccc21 ZINC001594954218 954973704 /nfs/dbraw/zinc/97/37/04/954973704.db2.gz ZXPPLFOWTLFRCG-INIZCTEOSA-N -1 3 285.387 3.251 20 0 CGADHM CCCC1CCN(Cc2cc(C)c(C(=O)[O-])o2)CC1 ZINC000050894035 957494870 /nfs/dbraw/zinc/49/48/70/957494870.db2.gz FBVWMDWZTOIKJS-UHFFFAOYSA-N -1 3 265.353 3.298 20 0 CGADHM O=C([O-])[C@H]1CCCCCN1Cc1c(F)cccc1Cl ZINC000080991926 957770011 /nfs/dbraw/zinc/77/00/11/957770011.db2.gz XZOAXHVQTJWTHF-CYBMUJFWSA-N -1 3 285.746 3.308 20 0 CGADHM CC(C)Cc1ccc(CNCc2ccc(C(=O)[O-])cc2)cn1 ZINC001573940964 962293948 /nfs/dbraw/zinc/29/39/48/962293948.db2.gz MOJURVZIZCCTIY-UHFFFAOYSA-N -1 3 298.386 3.268 20 0 CGADHM CC/C=C/CCSc1nc(C)cc(C)c1-c1nnn[n-]1 ZINC001577180991 962520230 /nfs/dbraw/zinc/52/02/30/962520230.db2.gz BAOHLTXHZIBQRG-AATRIKPKSA-N -1 3 289.408 3.327 20 0 CGADHM CC/C=C/CCSc1nc(C)cc(C)c1-c1nn[n-]n1 ZINC001577180991 962520248 /nfs/dbraw/zinc/52/02/48/962520248.db2.gz BAOHLTXHZIBQRG-AATRIKPKSA-N -1 3 289.408 3.327 20 0 CGADHM Cc1cccc([O-])c1C(=O)NCc1ccc(F)c(C)c1 ZINC001587728310 963212908 /nfs/dbraw/zinc/21/29/08/963212908.db2.gz RFKVXTQMVFGCFR-UHFFFAOYSA-N -1 3 273.307 3.078 20 0 CGADHM C/C(=C/CN[C@@H](C)c1cc2ccccc2o1)C(=O)[O-] ZINC001588982659 963334619 /nfs/dbraw/zinc/33/46/19/963334619.db2.gz WPPUMNJYSIADIB-BRNRAETOSA-N -1 3 259.305 3.114 20 0 CGADHM CCC1(CC)CN(Cc2ccsc2C(=O)[O-])C1 ZINC000310492813 963413178 /nfs/dbraw/zinc/41/31/78/963413178.db2.gz OWMGLPWDZQMSEY-UHFFFAOYSA-N -1 3 253.367 3.068 20 0 CGADHM CCCC1(CN[C@@H](C)c2ncc(C(=O)[O-])s2)CCC1 ZINC000315263589 963871885 /nfs/dbraw/zinc/87/18/85/963871885.db2.gz COZBAECABDXJJM-JTQLQIEISA-N -1 3 282.409 3.462 20 0 CGADHM CC(C)=CCCNc1cc(C)cc(F)c1-c1nnn[n-]1 ZINC001589376179 963981370 /nfs/dbraw/zinc/98/13/70/963981370.db2.gz HWGHNBPSYRQGDB-UHFFFAOYSA-N -1 3 275.331 3.082 20 0 CGADHM CC(C)=CCCNc1cc(C)cc(F)c1-c1nn[n-]n1 ZINC001589376179 963981379 /nfs/dbraw/zinc/98/13/79/963981379.db2.gz HWGHNBPSYRQGDB-UHFFFAOYSA-N -1 3 275.331 3.082 20 0 CGADHM CC(C)=CCSc1nc(C)c(-c2nnn[n-]2)cc1Cl ZINC001589380367 963984142 /nfs/dbraw/zinc/98/41/42/963984142.db2.gz VRAAXQGCAREGMX-UHFFFAOYSA-N -1 3 295.799 3.282 20 0 CGADHM CC(C)=CCSc1nc(C)c(-c2nn[n-]n2)cc1Cl ZINC001589380367 963984154 /nfs/dbraw/zinc/98/41/54/963984154.db2.gz VRAAXQGCAREGMX-UHFFFAOYSA-N -1 3 295.799 3.282 20 0 CGADHM CC(C)=CCSCCc1ccc(-c2nnn[n-]2)cc1 ZINC001589379231 963984598 /nfs/dbraw/zinc/98/45/98/963984598.db2.gz DYTACJLLLIWWDZ-UHFFFAOYSA-N -1 3 274.393 3.109 20 0 CGADHM CC(C)=CCSCCc1ccc(-c2nn[n-]n2)cc1 ZINC001589379231 963984606 /nfs/dbraw/zinc/98/46/06/963984606.db2.gz DYTACJLLLIWWDZ-UHFFFAOYSA-N -1 3 274.393 3.109 20 0 CGADHM CC(C)CC(C)(C)CNc1cc(F)ccc1-c1nnn[n-]1 ZINC001589541322 963994141 /nfs/dbraw/zinc/99/41/41/963994141.db2.gz DWBPAEMGHPVNEH-UHFFFAOYSA-N -1 3 291.374 3.490 20 0 CGADHM CC(C)CC(C)(C)CNc1cc(F)ccc1-c1nn[n-]n1 ZINC001589541322 963994146 /nfs/dbraw/zinc/99/41/46/963994146.db2.gz DWBPAEMGHPVNEH-UHFFFAOYSA-N -1 3 291.374 3.490 20 0 CGADHM C[C@H](NCc1ccc(C(=O)[O-])[nH]1)c1ccc2c(c1)CCCC2 ZINC001599901623 984840875 /nfs/dbraw/zinc/84/08/75/984840875.db2.gz QUBNJVMBYFDUMG-LBPRGKRZSA-N -1 3 298.386 3.443 20 0 CGADHM Cc1[nH]c(CN2CC(C)(C)CC(C)(C)C2)cc1C(=O)[O-] ZINC001599962340 985811042 /nfs/dbraw/zinc/81/10/42/985811042.db2.gz NLKXYUAQALLQFR-UHFFFAOYSA-N -1 3 278.396 3.279 20 0 CGADHM Cc1[nH]c(CN2CC[C@@H]3CCCC[C@H]3C2)cc1C(=O)[O-] ZINC001599964398 985870232 /nfs/dbraw/zinc/87/02/32/985870232.db2.gz ZJPZIMQQPHOBOS-STQMWFEESA-N -1 3 276.380 3.033 20 0 CGADHM CCc1ccc(C2=CCN(C/C=C(/C)C(=O)[O-])CC2)cc1 ZINC001597516290 988127620 /nfs/dbraw/zinc/12/76/20/988127620.db2.gz CJMVZBSKJXTDHM-ZSOIEALJSA-N -1 3 285.387 3.369 20 0 CGADHM CCc1ccc(CN[C@@](C)(CC(=O)[O-])c2ccncc2)cc1 ZINC001597530113 988180023 /nfs/dbraw/zinc/18/00/23/988180023.db2.gz HJEJSOFTLIZTQN-SFHVURJKSA-N -1 3 298.386 3.124 20 0 CGADHM CN(Cc1nc(C(=O)[O-])cs1)[C@H]1CCC[C@H]1C(C)(C)C ZINC001598537441 992856846 /nfs/dbraw/zinc/85/68/46/992856846.db2.gz ZISHLWXCNXMWCL-PWSUYJOCSA-N -1 3 296.436 3.488 20 0 CGADHM C[C@@H](c1ncc(C(=O)[O-])s1)N(C)C[C@H]1CC=CCC1 ZINC001593732117 996307895 /nfs/dbraw/zinc/30/78/95/996307895.db2.gz OGUMDVGWYNZDID-QWRGUYRKSA-N -1 3 280.393 3.190 20 0 CGADHM CC1(C)CC[C@H](CNCc2cc(C(=O)[O-])ccc2Cl)O1 ZINC001593878561 996704402 /nfs/dbraw/zinc/70/44/02/996704402.db2.gz TVWDYZUNWYAXMA-GFCCVEGCSA-N -1 3 297.782 3.085 20 0 CGADHM COCc1ccccc1CNCc1ccc(C(=O)[O-])c(C)c1 ZINC001599296477 997151784 /nfs/dbraw/zinc/15/17/84/997151784.db2.gz RQXGBCMUUIJUSH-UHFFFAOYSA-N -1 3 299.370 3.129 20 0 CGADHM C[C@@]1(NCc2cncc(C(=O)[O-])c2)CCCc2ccccc21 ZINC001594060874 997841889 /nfs/dbraw/zinc/84/18/89/997841889.db2.gz XAMVVEOJCULFOE-GOSISDBHSA-N -1 3 296.370 3.121 20 0 CGADHM C[C@@H]1C[C@@H](C)N1[C@@H](C(=O)[O-])c1ccccc1C(F)(F)F ZINC001594231382 998879706 /nfs/dbraw/zinc/87/97/06/998879706.db2.gz SXZZOQUWFBQZBY-KBVBSXBZSA-N -1 3 287.281 3.314 20 0 CGADHM C[C@@H]1CCN(Cc2cc(C(=O)[O-])ccc2Cl)CCS1 ZINC001594423228 999578519 /nfs/dbraw/zinc/57/85/19/999578519.db2.gz PNVDPSKADOFNNQ-SNVBAGLBSA-N -1 3 299.823 3.366 20 0 CGADHM O=C(c1ccccc1[O-])N1CC2CC1(c1ccccc1)C2 ZINC000621014657 349444285 /nfs/dbraw/zinc/44/42/85/349444285.db2.gz XDYPXBKODHXNIR-UHFFFAOYSA-N -1 3 279.339 3.154 20 0 CGADHM FC(F)(F)c1c[n-]c(=NCC[C@@H]2CC2(F)F)s1 ZINC000621346349 349503772 /nfs/dbraw/zinc/50/37/72/349503772.db2.gz LQQMZCTXCWUTLY-RXMQYKEDSA-N -1 3 272.242 3.041 20 0 CGADHM CC(C)Oc1cccc(CN(C)C(=O)c2ccccc2[O-])c1 ZINC000124739832 187151412 /nfs/dbraw/zinc/15/14/12/187151412.db2.gz HZMSPBMGHOLQSO-UHFFFAOYSA-N -1 3 299.370 3.452 20 0 CGADHM CCc1cccnc1NC(=O)Cc1ccc([O-])cc1Cl ZINC000337610442 214178417 /nfs/dbraw/zinc/17/84/17/214178417.db2.gz VRXXAPGVIJPENR-UHFFFAOYSA-N -1 3 290.750 3.184 20 0 CGADHM C[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1[O-])n1cccn1 ZINC000337671532 214207809 /nfs/dbraw/zinc/20/78/09/214207809.db2.gz XRTOUIMTRIDCRI-LLVKDONJSA-N -1 3 287.363 3.086 20 0 CGADHM CCN(CC)Cc1ccc(C(=O)Nc2ccccc2[O-])o1 ZINC000622034994 349622293 /nfs/dbraw/zinc/62/22/93/349622293.db2.gz UIRUGKZNIWJZRU-UHFFFAOYSA-N -1 3 288.347 3.079 20 0 CGADHM CCC1(NC(=O)c2cc([O-])cc(C(F)(F)F)c2)CC1 ZINC000622076063 349627260 /nfs/dbraw/zinc/62/72/60/349627260.db2.gz SGLKVIQZMSUWAQ-UHFFFAOYSA-N -1 3 273.254 3.083 20 0 CGADHM CC(C)C1(NC(=O)c2cc([O-])cc(C(F)(F)F)c2)CC1 ZINC000622071238 349626527 /nfs/dbraw/zinc/62/65/27/349626527.db2.gz KREYSAOGIZSWQW-UHFFFAOYSA-N -1 3 287.281 3.329 20 0 CGADHM CN(C(=O)c1cc(F)c[n-]c1=O)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000622110019 349631583 /nfs/dbraw/zinc/63/15/83/349631583.db2.gz KSXPKEURSLQOHL-CHWSQXEVSA-N -1 3 294.370 3.213 20 0 CGADHM CCC(C)(C)[C@H](C)NC(=O)c1c[n-]c2ccccc2c1=O ZINC000622138002 349634559 /nfs/dbraw/zinc/63/45/59/349634559.db2.gz BVZNAXNACGGNLU-NSHDSACASA-N -1 3 286.375 3.083 20 0 CGADHM CC[C@H](CSC)N(C)C(=O)c1ccc(C)c(C)c1[O-] ZINC000436813025 529409643 /nfs/dbraw/zinc/40/96/43/529409643.db2.gz GNIMWOISJWQIQL-GFCCVEGCSA-N -1 3 281.421 3.223 20 0 CGADHM Cc1cc(C(=O)N=c2cc(-c3ccccc3C)[n-][nH]2)c(C)o1 ZINC000338086831 214393113 /nfs/dbraw/zinc/39/31/13/214393113.db2.gz NYBBLNOKXJSWTH-UHFFFAOYSA-N -1 3 295.342 3.269 20 0 CGADHM CC(=O)c1cccc(NC(=O)[C@@H]2C[C@@H]2C2CCCC2)c1[O-] ZINC000652166769 398326226 /nfs/dbraw/zinc/32/62/26/398326226.db2.gz BMIPKVSLCYSXNL-ZIAGYGMSSA-N -1 3 287.359 3.360 20 0 CGADHM CC[C@@H](CC1CCCC1)C(=O)Nc1ncccc1[O-] ZINC000358844231 529462497 /nfs/dbraw/zinc/46/24/97/529462497.db2.gz CXEURYLPPPLEAT-LBPRGKRZSA-N -1 3 262.353 3.332 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)Nc1cc(F)c(F)cc1F ZINC000622355422 349674927 /nfs/dbraw/zinc/67/49/27/349674927.db2.gz DBPRLXLZKBQDPH-UHFFFAOYSA-N -1 3 299.223 3.130 20 0 CGADHM CCc1csc(NC(=O)c2cccc(CC)c2[O-])n1 ZINC000622356653 349675297 /nfs/dbraw/zinc/67/52/97/349675297.db2.gz UCBKJRJDMSJDMW-UHFFFAOYSA-N -1 3 276.361 3.226 20 0 CGADHM CC[C@H](NC(=O)Cc1ccc([O-])c(F)c1)c1cccs1 ZINC000448759430 529481995 /nfs/dbraw/zinc/48/19/95/529481995.db2.gz NUKBANDDOLFKKW-LBPRGKRZSA-N -1 3 293.363 3.403 20 0 CGADHM CC(C)(C)c1cccc(C(=O)Nc2ncccc2[O-])c1 ZINC000622505302 349684249 /nfs/dbraw/zinc/68/42/49/349684249.db2.gz YKSNUDWANHGTGW-UHFFFAOYSA-N -1 3 270.332 3.337 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2cnc(CC(C)C)nc2)c1 ZINC000622570923 349687210 /nfs/dbraw/zinc/68/72/10/349687210.db2.gz YIYULODFDVBWJN-UHFFFAOYSA-N -1 3 299.374 3.195 20 0 CGADHM CCc1ccc(C(=O)N[C@@H]2CC(C)(C)OC2(C)C)c([O-])c1 ZINC000622491549 349682760 /nfs/dbraw/zinc/68/27/60/349682760.db2.gz AYODWRCMMXHLRP-CQSZACIVSA-N -1 3 291.391 3.031 20 0 CGADHM CCc1ccc(C(=O)NCC2(OC)CCCCC2)c([O-])c1 ZINC000622520148 349684003 /nfs/dbraw/zinc/68/40/03/349684003.db2.gz GCWSGEDKNUZPIX-UHFFFAOYSA-N -1 3 291.391 3.034 20 0 CGADHM Cc1cccc(C(=O)Nc2cnc3c(c2)CCCC3)c1[O-] ZINC000622502473 349684083 /nfs/dbraw/zinc/68/40/83/349684083.db2.gz RLOHNAGGKJBGSO-UHFFFAOYSA-N -1 3 282.343 3.227 20 0 CGADHM CC[C@@H](Cc1ccccc1)NC(=O)c1ccccc1[O-] ZINC000436530607 529544916 /nfs/dbraw/zinc/54/49/16/529544916.db2.gz MTJVVSGIJLURIP-AWEZNQCLSA-N -1 3 269.344 3.143 20 0 CGADHM CN(Cc1c(F)ccc([O-])c1F)CC1CCCC1 ZINC000350835666 219065599 /nfs/dbraw/zinc/06/55/99/219065599.db2.gz SKVWPWGIJRZVOK-UHFFFAOYSA-N -1 3 255.308 3.292 20 0 CGADHM CCc1ccc(C(=O)N[C@H](C)c2cccc(O)c2)c([O-])c1 ZINC000436835308 529607777 /nfs/dbraw/zinc/60/77/77/529607777.db2.gz VKAPDSUMDSAMTJ-LLVKDONJSA-N -1 3 285.343 3.151 20 0 CGADHM CCc1ccc(C(=O)Nc2cc(F)ccc2O)c([O-])c1 ZINC000436834548 529609254 /nfs/dbraw/zinc/60/92/54/529609254.db2.gz ZVKXKBPNAPTTJQ-UHFFFAOYSA-N -1 3 275.279 3.052 20 0 CGADHM CCc1ccc(C(=O)NC2CC(C(F)(F)F)C2)c([O-])c1 ZINC000436738636 529602316 /nfs/dbraw/zinc/60/23/16/529602316.db2.gz LYGWXXJHLARZIW-UHFFFAOYSA-N -1 3 287.281 3.025 20 0 CGADHM CC(C)(C)CCCC[N-]S(=O)(=O)c1cccs1 ZINC000591393076 346920173 /nfs/dbraw/zinc/92/01/73/346920173.db2.gz UMEWRLROJXCUMQ-UHFFFAOYSA-N -1 3 275.439 3.243 20 0 CGADHM CCc1ccc(CNC[C@]2(CC(=O)[O-])CC[C@@H](C)C2)o1 ZINC000426637931 529653420 /nfs/dbraw/zinc/65/34/20/529653420.db2.gz HLGZGUOSPBTOFC-MLGOLLRUSA-N -1 3 279.380 3.213 20 0 CGADHM [O-]c1ccc(F)c(CN2CCC[C@@H]2C2CCC2)c1F ZINC000350972728 219071763 /nfs/dbraw/zinc/07/17/63/219071763.db2.gz SXAVJPIKKJDDHN-CYBMUJFWSA-N -1 3 267.319 3.435 20 0 CGADHM [O-]c1ccc(F)c(CN2CCC[C@H]2c2ccc[nH]2)c1F ZINC000294980608 199282621 /nfs/dbraw/zinc/28/26/21/199282621.db2.gz SJOJROCFELGWOD-ZDUSSCGKSA-N -1 3 278.302 3.336 20 0 CGADHM CC(C)O[N-]C(=O)[C@@H](C)CSCc1ccccc1 ZINC000295505684 199539314 /nfs/dbraw/zinc/53/93/14/199539314.db2.gz HBHDCXVFZUQPLY-LBPRGKRZSA-N -1 3 267.394 3.012 20 0 CGADHM CCN(C(=O)c1c(C)cccc1[O-])C1CCCCC1 ZINC000623830662 349892149 /nfs/dbraw/zinc/89/21/49/349892149.db2.gz VOCDUROERFXFJP-UHFFFAOYSA-N -1 3 261.365 3.495 20 0 CGADHM CN(Cc1cccc2[nH]ccc21)C(=O)c1cccc([O-])c1 ZINC000427965713 529996424 /nfs/dbraw/zinc/99/64/24/529996424.db2.gz RFEQXZLZSIYTTO-UHFFFAOYSA-N -1 3 280.327 3.146 20 0 CGADHM CC[C@H](CNC(=O)c1ccccc1[O-])c1ccccc1 ZINC000023747891 344898308 /nfs/dbraw/zinc/89/83/08/344898308.db2.gz GFXGVXGRFPROPX-CYBMUJFWSA-N -1 3 269.344 3.316 20 0 CGADHM C[C@H]1Cc2ccccc2N1C(=O)c1cc(-c2ccco2)[n-]n1 ZINC000029803300 344919319 /nfs/dbraw/zinc/91/93/19/344919319.db2.gz ZOIDDNMJEBUYBN-NSHDSACASA-N -1 3 293.326 3.261 20 0 CGADHM C[C@H]1Cc2ccccc2N1C(=O)c1cc(-c2ccco2)n[n-]1 ZINC000029803300 344919321 /nfs/dbraw/zinc/91/93/21/344919321.db2.gz ZOIDDNMJEBUYBN-NSHDSACASA-N -1 3 293.326 3.261 20 0 CGADHM Cc1c(C(=O)Nc2ccccc2[O-])oc2c1C(=O)CCC2 ZINC000041688134 344973335 /nfs/dbraw/zinc/97/33/35/344973335.db2.gz PBXIFXYVLJEIQG-UHFFFAOYSA-N -1 3 285.299 3.065 20 0 CGADHM COC(=O)c1ccc(C(=O)[N-]c2cc(F)ccc2F)s1 ZINC000041954614 344975944 /nfs/dbraw/zinc/97/59/44/344975944.db2.gz ACKXSUJBTHYXRC-UHFFFAOYSA-N -1 3 297.282 3.065 20 0 CGADHM Cc1noc(C)c1[N-]C(=O)c1cc2ccccc2o1 ZINC000340252550 282390930 /nfs/dbraw/zinc/39/09/30/282390930.db2.gz KUDPGGARUMUAEG-UHFFFAOYSA-N -1 3 256.261 3.290 20 0 CGADHM COCc1ccccc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000067145546 345315764 /nfs/dbraw/zinc/31/57/64/345315764.db2.gz UNIQXVMOWIHSJU-UHFFFAOYSA-N -1 3 291.734 3.444 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])c1ccsc1 ZINC000067138941 345315858 /nfs/dbraw/zinc/31/58/58/345315858.db2.gz BTNXVBJHRWBBME-UHFFFAOYSA-N -1 3 253.710 3.359 20 0 CGADHM COc1ccc(C(=O)N(C)C[C@H](C)c2ccccc2)c([O-])c1 ZINC000066460271 345295086 /nfs/dbraw/zinc/29/50/86/345295086.db2.gz SLFIVFSWYVJPHN-ZDUSSCGKSA-N -1 3 299.370 3.277 20 0 CGADHM CC(C)(C)c1nsc([N-]C(=O)c2ccc(F)cc2F)n1 ZINC000068073195 345342776 /nfs/dbraw/zinc/34/27/76/345342776.db2.gz LMGKYVTVAHQUGY-UHFFFAOYSA-N -1 3 297.330 3.366 20 0 CGADHM c1ccc(CCSc2n[n-]c(-c3ccccn3)n2)cc1 ZINC000117115916 232183780 /nfs/dbraw/zinc/18/37/80/232183780.db2.gz DFSKBGUVEWKEOY-UHFFFAOYSA-N -1 3 282.372 3.202 20 0 CGADHM CCc1csc([N-]C(=O)c2cc(C(C)C)no2)n1 ZINC000070854033 345397218 /nfs/dbraw/zinc/39/72/18/345397218.db2.gz GYUFRYJDFDGDMT-UHFFFAOYSA-N -1 3 265.338 3.069 20 0 CGADHM Cc1cccc(C(=O)N2CCC[C@@H]2c2cccnc2)c1[O-] ZINC000078568071 345613859 /nfs/dbraw/zinc/61/38/59/345613859.db2.gz RFCNXLHBYMLGDW-OAHLLOKOSA-N -1 3 282.343 3.073 20 0 CGADHM CCc1cccc(C(=O)N(C)CCc2cccs2)c1[O-] ZINC000081792797 345718638 /nfs/dbraw/zinc/71/86/38/345718638.db2.gz QYCPJGFJHBFASP-UHFFFAOYSA-N -1 3 289.400 3.331 20 0 CGADHM Cc1ccc(NC(=O)c2ccc(NC(C)C)nc2)c([O-])c1 ZINC000084382704 345732635 /nfs/dbraw/zinc/73/26/35/345732635.db2.gz BETYGXRYUOKGBI-UHFFFAOYSA-N -1 3 285.347 3.168 20 0 CGADHM CCc1cccc(C(=O)N(C)[C@@H](C)c2cccc(O)c2)c1[O-] ZINC000092602193 345846867 /nfs/dbraw/zinc/84/68/67/345846867.db2.gz DOYBVQRSOYBBEQ-LBPRGKRZSA-N -1 3 299.370 3.493 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CC[C@@H]3CCCC[C@@H]32)c1 ZINC000094078245 345894375 /nfs/dbraw/zinc/89/43/75/345894375.db2.gz VEPILNKXLRZMEG-ZFWWWQNUSA-N -1 3 273.376 3.359 20 0 CGADHM CCc1cccc(C(=O)N2CCC[C@H]2C2CCC2)c1[O-] ZINC000094105839 345895188 /nfs/dbraw/zinc/89/51/88/345895188.db2.gz JUVHTHBAWKTGMC-HNNXBMFYSA-N -1 3 273.376 3.359 20 0 CGADHM CCc1cccc(C(=O)NC(C)(C)c2nccs2)c1[O-] ZINC000094153040 345896636 /nfs/dbraw/zinc/89/66/36/345896636.db2.gz XLTSLEQBHXLLFP-UHFFFAOYSA-N -1 3 290.388 3.076 20 0 CGADHM O=C(N[C@H](c1ccccc1)[C@@H]1CCCO1)c1ccccc1[O-] ZINC000171466995 232268396 /nfs/dbraw/zinc/26/83/96/232268396.db2.gz OKGOYUGVJAFYQI-DLBZAZTESA-N -1 3 297.354 3.042 20 0 CGADHM CCC(C)(C)N(C)C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000094157428 345896695 /nfs/dbraw/zinc/89/66/95/345896695.db2.gz GZMFSKSSOWKLCE-UHFFFAOYSA-N -1 3 291.391 3.366 20 0 CGADHM Cc1cccc2c(CC(=O)Nc3ccccc3[O-])c[nH]c21 ZINC000155571342 346154801 /nfs/dbraw/zinc/15/48/01/346154801.db2.gz RRCAEASRDGBDLV-UHFFFAOYSA-N -1 3 280.327 3.363 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N2CCC(c3ccccc3)CC2)n1 ZINC000177916136 232378387 /nfs/dbraw/zinc/37/83/87/232378387.db2.gz GVTRTOZGBRPPCJ-AWEZNQCLSA-N -1 3 297.402 3.431 20 0 CGADHM Cc1ccc(NC(=O)C(=O)c2ccc(Cl)cc2)c([O-])c1 ZINC000170721938 346197561 /nfs/dbraw/zinc/19/75/61/346197561.db2.gz HPQDCJQSJQTNSY-UHFFFAOYSA-N -1 3 289.718 3.175 20 0 CGADHM C[C@H](CCc1cccc(F)c1)C(=O)Nc1ncccc1[O-] ZINC000175023647 346246702 /nfs/dbraw/zinc/24/67/02/346246702.db2.gz YUTXYXQJRCUOGF-LLVKDONJSA-N -1 3 288.322 3.134 20 0 CGADHM CCCc1nc(CN2CC[C@](C(=O)[O-])(C(C)C)C2)cs1 ZINC000233375987 346328660 /nfs/dbraw/zinc/32/86/60/346328660.db2.gz KNRCQBGBQCSHFB-OAHLLOKOSA-N -1 3 296.436 3.028 20 0 CGADHM COc1ccc(CNCCC(C)(C)CCC(=O)[O-])c(F)c1 ZINC000228614290 346314942 /nfs/dbraw/zinc/31/49/42/346314942.db2.gz DUXXTJKBYSCGJI-UHFFFAOYSA-N -1 3 297.370 3.205 20 0 CGADHM Cc1ccc(CN2CCC[C@@H]2CC(=O)[O-])c(Cl)c1 ZINC000235876765 346337678 /nfs/dbraw/zinc/33/76/78/346337678.db2.gz DDXIMGYMNOWTJF-GFCCVEGCSA-N -1 3 267.756 3.088 20 0 CGADHM Cc1cc(N2CC[C@@](C(=O)[O-])(C(C)C)C2)c2ccccc2n1 ZINC000318619532 346486850 /nfs/dbraw/zinc/48/68/50/346486850.db2.gz YLPRMEVJOFVBSI-SFHVURJKSA-N -1 3 298.386 3.480 20 0 CGADHM CC(C)[C@@H](NC(=O)c1cc([O-])ccc1Cl)C1CC1 ZINC000323879846 346490496 /nfs/dbraw/zinc/49/04/96/346490496.db2.gz KRHASCRCHJXUAE-CYBMUJFWSA-N -1 3 267.756 3.210 20 0 CGADHM Cc1ccc(CN2CC[C@H](C(=O)[O-])[C@@H](C)C2)cc1Cl ZINC000381869364 346559355 /nfs/dbraw/zinc/55/93/55/346559355.db2.gz WFMXIACFLUFXHU-AAEUAGOBSA-N -1 3 281.783 3.191 20 0 CGADHM O=C(c1cc(=O)c2ccccc2[n-]1)N(C1CC1)C1CCCC1 ZINC000593825619 347117389 /nfs/dbraw/zinc/11/73/89/347117389.db2.gz PGTBMEPESIAMAE-UHFFFAOYSA-N -1 3 296.370 3.075 20 0 CGADHM CCO[C@@H]1C[C@H](NCc2cccc([O-])c2Cl)C12CCC2 ZINC000339283566 215065021 /nfs/dbraw/zinc/06/50/21/215065021.db2.gz WORCOGXPYRZPOC-UONOGXRCSA-N -1 3 295.810 3.483 20 0 CGADHM O=c1cc(CSC[C@@H]2C[C@H]3C[C@H]3C2)nc(C2CC2)[n-]1 ZINC000596367652 347435628 /nfs/dbraw/zinc/43/56/28/347435628.db2.gz SZTWRXDZOVBYKM-YHPBZONMSA-N -1 3 276.405 3.339 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)c2ccccc2C)c1-c1ccccc1 ZINC000598897359 347698806 /nfs/dbraw/zinc/69/88/06/347698806.db2.gz PKAGOBUSIIOCPH-UHFFFAOYSA-N -1 3 291.354 3.368 20 0 CGADHM CS[C@@H]1CCC[C@@H](NC(=O)c2c(C)cccc2[O-])C1 ZINC000599530536 347751329 /nfs/dbraw/zinc/75/13/29/347751329.db2.gz ZWUSDCYZLQTLDX-VXGBXAGGSA-N -1 3 279.405 3.105 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CC[C@H](c3ccco3)C2)c1 ZINC000601014685 347852808 /nfs/dbraw/zinc/85/28/08/347852808.db2.gz VITTVCLCIIOJFY-ZDUSSCGKSA-N -1 3 285.343 3.177 20 0 CGADHM COC(=O)c1cc([O-])cc(-c2ccc(NC(C)C)nc2)c1 ZINC000600789176 347836159 /nfs/dbraw/zinc/83/61/59/347836159.db2.gz IKZIQDKBIMJMAC-UHFFFAOYSA-N -1 3 286.331 3.061 20 0 CGADHM COc1ccc([O-])c(C(=O)N2CCCc3c(C)cccc32)c1 ZINC000603852479 348099585 /nfs/dbraw/zinc/09/95/85/348099585.db2.gz HKGCAIKIKMPJDA-UHFFFAOYSA-N -1 3 297.354 3.302 20 0 CGADHM Cc1cccc(C(=O)N[C@H]2C[C@@]2(C)c2ccccc2)c1[O-] ZINC000607591095 348250285 /nfs/dbraw/zinc/25/02/85/348250285.db2.gz CNTHJHWTEWOUIQ-YJBOKZPZSA-N -1 3 281.355 3.161 20 0 CGADHM CC1(C)CCC[C@@H](C(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000339425604 215161318 /nfs/dbraw/zinc/16/13/18/215161318.db2.gz VVCZIDMLGPDZSV-GFCCVEGCSA-N -1 3 299.378 3.022 20 0 CGADHM CC1(C)CCC[C@@H](C(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000339425604 215161320 /nfs/dbraw/zinc/16/13/20/215161320.db2.gz VVCZIDMLGPDZSV-GFCCVEGCSA-N -1 3 299.378 3.022 20 0 CGADHM O=C(CC1CCC1)N=c1cc(-c2cccc(Cl)c2)[n-][nH]1 ZINC000608359702 348300689 /nfs/dbraw/zinc/30/06/89/348300689.db2.gz MYTWCFFXBQJUPW-UHFFFAOYSA-N -1 3 289.766 3.281 20 0 CGADHM CC(=O)c1ccc(F)cc1[N-]C(=O)c1cc(C(C)C)no1 ZINC000273429144 192147850 /nfs/dbraw/zinc/14/78/50/192147850.db2.gz ZTAXMCUGUFCYNM-UHFFFAOYSA-N -1 3 290.294 3.392 20 0 CGADHM CSc1ccc([O-])c(C(=O)NCC2(C3CC3)CC2)c1 ZINC000612857189 348550774 /nfs/dbraw/zinc/55/07/74/348550774.db2.gz IIVVBAJPLYJEPR-UHFFFAOYSA-N -1 3 277.389 3.034 20 0 CGADHM CCc1noc(C)c1[N-]C(=O)c1oc(SC)cc1C ZINC000612981984 348556848 /nfs/dbraw/zinc/55/68/48/348556848.db2.gz GMEHTEBORDADGT-UHFFFAOYSA-N -1 3 280.349 3.421 20 0 CGADHM CCc1noc(C)c1[N-]C(=O)c1cc(SC)oc1C ZINC000612986352 348557418 /nfs/dbraw/zinc/55/74/18/348557418.db2.gz ZKCJXUIDFZLFGE-UHFFFAOYSA-N -1 3 280.349 3.421 20 0 CGADHM C[C@H](CC(=O)Nc1ccc(Cl)cc1[O-])[C@H]1CCCO1 ZINC000613029348 348559821 /nfs/dbraw/zinc/55/98/21/348559821.db2.gz ZQKKFYWAUKFLBT-NOZJJQNGSA-N -1 3 283.755 3.189 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)C[C@H](C)[C@H]2CCCO2)c1[O-] ZINC000613035676 348561492 /nfs/dbraw/zinc/56/14/92/348561492.db2.gz PACAHKWXRZUHDX-TVQRCGJNSA-N -1 3 297.782 3.498 20 0 CGADHM C[C@@H]1CC[C@H](CC(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)C1 ZINC000615137220 348717409 /nfs/dbraw/zinc/71/74/09/348717409.db2.gz BMQQKDVFRSVLPJ-ZJUUUORDSA-N -1 3 273.336 3.033 20 0 CGADHM CCC1(NC(=O)c2ccc(C(C)=O)c([O-])c2)CCCCC1 ZINC000615865123 348770668 /nfs/dbraw/zinc/77/06/68/348770668.db2.gz PTJBSUAPWCOCRH-UHFFFAOYSA-N -1 3 289.375 3.438 20 0 CGADHM CCc1cc(C(=O)N2[C@H](C)CCC2(C)C)ccc1[O-] ZINC000616165959 348792868 /nfs/dbraw/zinc/79/28/68/348792868.db2.gz RJLXRVNTLMDNMB-LLVKDONJSA-N -1 3 261.365 3.358 20 0 CGADHM CCc1cccc(C(=O)NC(C)(C)C(F)(F)F)c1[O-] ZINC000616203274 348798055 /nfs/dbraw/zinc/79/80/55/348798055.db2.gz SISVDCDWOCEECD-UHFFFAOYSA-N -1 3 275.270 3.025 20 0 CGADHM COCCC[C@@H](C)C(=O)Nc1ccc([O-])cc1Cl ZINC000616940907 348885097 /nfs/dbraw/zinc/88/50/97/348885097.db2.gz JVKQMBWTSDBXDG-SECBINFHSA-N -1 3 271.744 3.047 20 0 CGADHM O=C(Nc1ccc([O-])cc1Cl)[C@H]1CC12CCC2 ZINC000616940951 348885112 /nfs/dbraw/zinc/88/51/12/348885112.db2.gz LCVOAWFVOCKDIT-SECBINFHSA-N -1 3 251.713 3.174 20 0 CGADHM CO[C@H](C(=O)Nc1ccc([O-])cc1Cl)C1CCCC1 ZINC000616942816 348885708 /nfs/dbraw/zinc/88/57/08/348885708.db2.gz DNRFKOZENDULMQ-ZDUSSCGKSA-N -1 3 283.755 3.189 20 0 CGADHM CC(C)c1ccc(C(=O)NC[C@@H](C)c2ccccn2)c([O-])c1 ZINC000617075836 348913597 /nfs/dbraw/zinc/91/35/97/348913597.db2.gz VIHONSSARQFKBQ-CYBMUJFWSA-N -1 3 298.386 3.444 20 0 CGADHM C[C@H]1CC[C@@](C)(CNC(=O)c2csc(=O)[n-]2)C1(C)C ZINC000617663085 348998208 /nfs/dbraw/zinc/99/82/08/348998208.db2.gz FSGWXZJDSLYIIY-XPTSAGLGSA-N -1 3 282.409 3.041 20 0 CGADHM O=c1cc(C=Cc2ccccc2F)nc(C2CC2)[n-]1 ZINC000352022073 219291826 /nfs/dbraw/zinc/29/18/26/219291826.db2.gz UWYAEPNLCLMYCP-FPLPWBNLSA-N -1 3 256.280 3.369 20 0 CGADHM Cc1cccc(C(=O)N2CCC[C@H](C3CCC3)C2)c1[O-] ZINC000620213414 349341175 /nfs/dbraw/zinc/34/11/75/349341175.db2.gz CVQQPIKGOQYHSV-AWEZNQCLSA-N -1 3 273.376 3.353 20 0 CGADHM O=C(c1ccccc1[O-])N1CCC[C@@H](C2CCC2)C1 ZINC000620213404 349341301 /nfs/dbraw/zinc/34/13/01/349341301.db2.gz CTTJPBSGUWCSFD-CYBMUJFWSA-N -1 3 259.349 3.045 20 0 CGADHM Cc1ccc([O-])c(C(=O)N(CCC2CC2)CC2CC2)c1 ZINC000620629006 349398950 /nfs/dbraw/zinc/39/89/50/349398950.db2.gz WRMBWPYWEWMXHH-UHFFFAOYSA-N -1 3 273.376 3.353 20 0 CGADHM O=C(c1ccccc1[O-])N(CCC1CC1)CC1CC1 ZINC000620628795 349399131 /nfs/dbraw/zinc/39/91/31/349399131.db2.gz OPTOPLSXXNEMEP-UHFFFAOYSA-N -1 3 259.349 3.045 20 0 CGADHM CC(C)c1ccc(C(=O)NC[C@@H]2CCOC2(C)C)c([O-])c1 ZINC000620518298 349379414 /nfs/dbraw/zinc/37/94/14/349379414.db2.gz UDRJGZKUJHFRGH-ZDUSSCGKSA-N -1 3 291.391 3.061 20 0 CGADHM C[C@@H](Cc1nc(-c2ccc([O-])cc2)no1)C(F)(F)F ZINC000624555578 350064159 /nfs/dbraw/zinc/06/41/59/350064159.db2.gz NROLNFLBGPYHDO-ZETCQYMHSA-N -1 3 272.226 3.183 20 0 CGADHM C[C@H](O)CN(Cc1cc([O-])ccc1Cl)c1ccccc1 ZINC000625190099 350138672 /nfs/dbraw/zinc/13/86/72/350138672.db2.gz UCZSGRFKYURIPR-LBPRGKRZSA-N -1 3 291.778 3.433 20 0 CGADHM [O-]c1ccc(Cl)c(CN2CCOC3(CCCC3)C2)c1 ZINC000625222771 350143389 /nfs/dbraw/zinc/14/33/89/350143389.db2.gz HDKYHXVYSDKVOQ-UHFFFAOYSA-N -1 3 281.783 3.191 20 0 CGADHM CC[C@]1(C)CN(Cc2cc([O-])ccc2Cl)CCO1 ZINC000625359915 350163309 /nfs/dbraw/zinc/16/33/09/350163309.db2.gz KJZXKXYUPGRBMP-CQSZACIVSA-N -1 3 269.772 3.047 20 0 CGADHM C[C@@H]1CN(Cc2cc([O-])ccc2Cl)[C@@H](C)[C@H](C)O1 ZINC000625360662 350163391 /nfs/dbraw/zinc/16/33/91/350163391.db2.gz GFYZKJOWIWNMBX-VWYCJHECSA-N -1 3 269.772 3.043 20 0 CGADHM [O-]c1ccc(Cl)c(CN2CC[C@@]3(CC3(F)F)C2)c1 ZINC000625512798 350179501 /nfs/dbraw/zinc/17/95/01/350179501.db2.gz ONWSACVDPDQZKB-GFCCVEGCSA-N -1 3 273.710 3.277 20 0 CGADHM CC(C)O[C@@H]1CCCN(Cc2cc([O-])ccc2Cl)C1 ZINC000625511649 350179673 /nfs/dbraw/zinc/17/96/73/350179673.db2.gz UNXXVWYGDZWQRP-CQSZACIVSA-N -1 3 283.799 3.435 20 0 CGADHM CCCC(O)(CCC)CC(=O)Nc1c(C)cccc1[O-] ZINC000271311992 191065581 /nfs/dbraw/zinc/06/55/81/191065581.db2.gz IDZMGIJCAMXTJO-UHFFFAOYSA-N -1 3 279.380 3.361 20 0 CGADHM C[C@@H]1CCN(Cc2cc([O-])ccc2Cl)C[C@H](C)O1 ZINC000625540361 350183411 /nfs/dbraw/zinc/18/34/11/350183411.db2.gz LMSAYKNTCGUYCZ-MNOVXSKESA-N -1 3 269.772 3.045 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CCCC(C)(C)CC1 ZINC000625809610 350216525 /nfs/dbraw/zinc/21/65/25/350216525.db2.gz MYORHXHWEUVGEC-UHFFFAOYSA-N -1 3 261.365 3.353 20 0 CGADHM CC[C@@H](c1ccncc1)N(C)C(=O)c1c(C)cccc1[O-] ZINC000625735385 350206706 /nfs/dbraw/zinc/20/67/06/350206706.db2.gz AGSHGQMCLPPSOM-AWEZNQCLSA-N -1 3 284.359 3.319 20 0 CGADHM C[C@@H]1CN(C/C=C\c2ccc(F)cc2F)CC[C@@H]1C(=O)[O-] ZINC000625970561 350237969 /nfs/dbraw/zinc/23/79/69/350237969.db2.gz UNXVWMIDLOPCQS-USXUBVMZSA-N -1 3 295.329 3.021 20 0 CGADHM O=C(c1cc([O-])ccc1Cl)N1CC[C@H](CC2CC2)C1 ZINC000359730741 233367698 /nfs/dbraw/zinc/36/76/98/233367698.db2.gz PJJNARKSQKVOOU-LLVKDONJSA-N -1 3 279.767 3.308 20 0 CGADHM CCOCCC1(CNC(=O)c2c(C)cccc2[O-])CCC1 ZINC000626157187 350271109 /nfs/dbraw/zinc/27/11/09/350271109.db2.gz JAFMNHIKSGWDET-UHFFFAOYSA-N -1 3 291.391 3.027 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000626415364 350303987 /nfs/dbraw/zinc/30/39/87/350303987.db2.gz XMCPLSBODUAYEW-SJKOYZFVSA-N -1 3 273.376 3.353 20 0 CGADHM Cc1cccc([O-])c1C(=O)NC1(C)CCC(F)(F)CC1 ZINC000626427019 350304659 /nfs/dbraw/zinc/30/46/59/350304659.db2.gz XFPQFOWIKPBULB-UHFFFAOYSA-N -1 3 283.318 3.398 20 0 CGADHM CCO[C@@H](C(=O)N1CC[C@H](C)c2cccc([O-])c21)C1CC1 ZINC000626482001 350312597 /nfs/dbraw/zinc/31/25/97/350312597.db2.gz BNAOCZNGDYYHLA-MEDUHNTESA-N -1 3 289.375 3.048 20 0 CGADHM Cc1cccc([O-])c1C(=O)N[C@@H](C(C)C)C(F)(F)F ZINC000626628113 350324783 /nfs/dbraw/zinc/32/47/83/350324783.db2.gz NRKQTFSFSJLCEK-NSHDSACASA-N -1 3 275.270 3.017 20 0 CGADHM Cc1cccc([O-])c1C(=O)N[C@H]1C[C@H](c2ccccc2)C1 ZINC000626830167 350344250 /nfs/dbraw/zinc/34/42/50/350344250.db2.gz AFLVXLZDJFVHFZ-SHTZXODSSA-N -1 3 281.355 3.377 20 0 CGADHM CCCCN(C(=O)c1cc(=O)[n-]cn1)[C@H]1CCC[C@@H](C)C1 ZINC000627542327 350364734 /nfs/dbraw/zinc/36/47/34/350364734.db2.gz IXPNECWRMZRQGM-OLZOCXBDSA-N -1 3 291.395 3.003 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CC(C)(C)[C@H]2CCC[C@@H]21 ZINC000627546424 350365400 /nfs/dbraw/zinc/36/54/00/350365400.db2.gz ULOUNUZIWOFFLG-STQMWFEESA-N -1 3 273.376 3.351 20 0 CGADHM CCN(Cc1occc1C)C(=O)c1c(C)cccc1[O-] ZINC000627760712 350380210 /nfs/dbraw/zinc/38/02/10/350380210.db2.gz GKTDDHAYCOCIRS-UHFFFAOYSA-N -1 3 273.332 3.264 20 0 CGADHM CC[C@@H](C)c1cccc(NC(=O)Cc2cncc([O-])c2)c1 ZINC000628431135 350538523 /nfs/dbraw/zinc/53/85/23/350538523.db2.gz OQEXTXSRAWOQAB-GFCCVEGCSA-N -1 3 284.359 3.482 20 0 CGADHM Cc1cc(C(=O)N2C[C@H](C)C(F)(F)[C@@H](C)C2)ccc1[O-] ZINC000628397310 350525739 /nfs/dbraw/zinc/52/57/39/350525739.db2.gz XYCHZUXQXDFUMJ-QWRGUYRKSA-N -1 3 283.318 3.064 20 0 CGADHM Cc1c(C(=O)Nc2cc(C)cc([O-])c2)oc2c1C(=O)CCC2 ZINC000629631352 350724059 /nfs/dbraw/zinc/72/40/59/350724059.db2.gz CWIRPQNVKAUWET-UHFFFAOYSA-N -1 3 299.326 3.373 20 0 CGADHM C[C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1[O-])c1cncnc1 ZINC000629990201 350795704 /nfs/dbraw/zinc/79/57/04/350795704.db2.gz MGYISVKLNYAUBK-LLVKDONJSA-N -1 3 299.374 3.222 20 0 CGADHM CC[C@@H](CCC(=O)[O-])NCc1c(F)ccc(F)c1Cl ZINC000630459168 350843159 /nfs/dbraw/zinc/84/31/59/350843159.db2.gz LCQMRKHWIQVXND-QMMMGPOBSA-N -1 3 291.725 3.351 20 0 CGADHM O=C([O-])C[C@@H](CNCc1c(F)cccc1F)C1CCCC1 ZINC000630471372 350846170 /nfs/dbraw/zinc/84/61/70/350846170.db2.gz QTUBGGXATRMCSC-LBPRGKRZSA-N -1 3 297.345 3.336 20 0 CGADHM [O-]c1cccc(CN[C@@H]2CCCC23CC3)c1Cl ZINC000631191801 350985460 /nfs/dbraw/zinc/98/54/60/350985460.db2.gz IJDHJUUUNMHGET-GFCCVEGCSA-N -1 3 251.757 3.468 20 0 CGADHM CC[C@H](CC(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1)C(C)(C)C ZINC000633602895 351330280 /nfs/dbraw/zinc/33/02/80/351330280.db2.gz PJPJLXCQMGAIED-DGCLKSJQSA-N -1 3 293.411 3.084 20 0 CGADHM O=C(N[C@H]1CCCC12CC2)c1cc([O-])ccc1C(F)(F)F ZINC000633782523 351370442 /nfs/dbraw/zinc/37/04/42/351370442.db2.gz ZWPKSIISMIDGLF-LBPRGKRZSA-N -1 3 299.292 3.474 20 0 CGADHM CCN(C(=O)c1cc(C)ccc1[O-])[C@H]1CCOC(C)(C)C1 ZINC000291419555 198015995 /nfs/dbraw/zinc/01/59/95/198015995.db2.gz FYTSBEXKDJWCTG-ZDUSSCGKSA-N -1 3 291.391 3.120 20 0 CGADHM CC1(F)CCN(C(=O)c2cc([O-])ccc2Cl)CC1 ZINC000634360346 351475257 /nfs/dbraw/zinc/47/52/57/351475257.db2.gz JUOFTVSTUVHCOD-UHFFFAOYSA-N -1 3 271.719 3.010 20 0 CGADHM Cc1cnccc1-n1[n-]c(-c2ccccc2)c(C(C)C)c1=O ZINC000634606448 351539930 /nfs/dbraw/zinc/53/99/30/351539930.db2.gz SJQRWKADWRSGPX-MRXNPFEDSA-N -1 3 293.370 3.413 20 0 CGADHM O=C([O-])CCCCNCc1nc(-c2ccccc2)cs1 ZINC000635314960 351649912 /nfs/dbraw/zinc/64/99/12/351649912.db2.gz CYJVANKLMCLYIK-UHFFFAOYSA-N -1 3 290.388 3.155 20 0 CGADHM Cc1ccc(C(=O)N(C)[C@@H](C)C2(C)CC2)c([O-])c1C ZINC000271443626 191141665 /nfs/dbraw/zinc/14/16/65/191141665.db2.gz VTWRPIHIOVIDTC-LBPRGKRZSA-N -1 3 261.365 3.270 20 0 CGADHM CCc1cc(C(=O)Nc2cnn(CC(C)C)c2)ccc1[O-] ZINC000291721199 198070659 /nfs/dbraw/zinc/07/06/59/198070659.db2.gz BIDBIRGTWJOCIM-UHFFFAOYSA-N -1 3 287.363 3.059 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)Cc1c(C)[nH]c2ccccc21 ZINC000292065886 198150637 /nfs/dbraw/zinc/15/06/37/198150637.db2.gz HSRHRJWWSNLKOE-LLVKDONJSA-N -1 3 274.364 3.113 20 0 CGADHM CCCC[C@H](C)N(C)C(=O)c1ccc([O-])c(OC)c1 ZINC000292103122 198164519 /nfs/dbraw/zinc/16/45/19/198164519.db2.gz ZNQSQWUTGVOSQI-NSHDSACASA-N -1 3 265.353 3.052 20 0 CGADHM CS[C@H]1CCCCN(C(=O)c2cccc(C)c2[O-])C1 ZINC000154258727 188131791 /nfs/dbraw/zinc/13/17/91/188131791.db2.gz NWMOZNQTTOBXDA-LBPRGKRZSA-N -1 3 279.405 3.058 20 0 CGADHM Cc1ccc(F)cc1NC([O-])=NOCCC(F)(F)F ZINC000156109675 188243517 /nfs/dbraw/zinc/24/35/17/188243517.db2.gz NTACGPGSVVGBMF-UHFFFAOYSA-N -1 3 280.221 3.140 20 0 CGADHM Cc1ccc(F)cc1NC(=O)[N-]OCCC(F)(F)F ZINC000156109675 188243518 /nfs/dbraw/zinc/24/35/18/188243518.db2.gz NTACGPGSVVGBMF-UHFFFAOYSA-N -1 3 280.221 3.140 20 0 CGADHM CSc1ccc(NC(=O)[N-]OCCC(F)(F)F)cc1 ZINC000156269362 188252603 /nfs/dbraw/zinc/25/26/03/188252603.db2.gz DVOHPRPHRQJJRC-UHFFFAOYSA-N -1 3 294.298 3.414 20 0 CGADHM [O-]C(=NOCCC(F)(F)F)Nc1ccc2[nH]ccc2c1 ZINC000157184847 188302504 /nfs/dbraw/zinc/30/25/04/188302504.db2.gz DKVKJKTWJHGBQK-UHFFFAOYSA-N -1 3 287.241 3.173 20 0 CGADHM O=C([N-]OCCC(F)(F)F)Nc1ccc2[nH]ccc2c1 ZINC000157184847 188302506 /nfs/dbraw/zinc/30/25/06/188302506.db2.gz DKVKJKTWJHGBQK-UHFFFAOYSA-N -1 3 287.241 3.173 20 0 CGADHM CCCC1(CNC(=O)c2c[n-]c3ccccc3c2=O)CCC1 ZINC000157271474 188306758 /nfs/dbraw/zinc/30/67/58/188306758.db2.gz NDEZVPAUHUADCH-UHFFFAOYSA-N -1 3 298.386 3.228 20 0 CGADHM Cc1noc(C)c1[N-]C(=O)c1sccc1Cl ZINC000336438725 213301536 /nfs/dbraw/zinc/30/15/36/213301536.db2.gz RIJIRCNXSJJVJO-UHFFFAOYSA-N -1 3 256.714 3.259 20 0 CGADHM CCC(=O)c1cccc(NC(=O)[N-]OC[C@H](C)CC)c1 ZINC000292616459 198351319 /nfs/dbraw/zinc/35/13/19/198351319.db2.gz HHXVOFMGIJVFAX-LLVKDONJSA-N -1 3 278.352 3.379 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CCC(c3ccccn3)CC2)c1 ZINC000374354908 234680813 /nfs/dbraw/zinc/68/08/13/234680813.db2.gz WMWUCBKGGBXFQS-UHFFFAOYSA-N -1 3 296.370 3.115 20 0 CGADHM [O-]C(=NOC1CCCC1)Nc1cccc2[nH]ccc21 ZINC000271759386 191309814 /nfs/dbraw/zinc/30/98/14/191309814.db2.gz CEADFFLXRXCULN-UHFFFAOYSA-N -1 3 259.309 3.164 20 0 CGADHM O=C([N-]OC1CCCC1)Nc1cccc2[nH]ccc21 ZINC000271759386 191309816 /nfs/dbraw/zinc/30/98/16/191309816.db2.gz CEADFFLXRXCULN-UHFFFAOYSA-N -1 3 259.309 3.164 20 0 CGADHM COc1cccc(F)c1[N-]C(=O)c1sccc1F ZINC000336367065 213219628 /nfs/dbraw/zinc/21/96/28/213219628.db2.gz NTENBEKKRYKQRR-UHFFFAOYSA-N -1 3 269.272 3.287 20 0 CGADHM O=C(Cc1ccccc1C(F)(F)F)[N-]OC1CCCC1 ZINC000271779912 191321532 /nfs/dbraw/zinc/32/15/32/191321532.db2.gz PAGAOKYNMCUOPD-UHFFFAOYSA-N -1 3 287.281 3.238 20 0 CGADHM Cc1ccc(C(=O)CCC(=O)[N-]OC2CCCC2)s1 ZINC000271818561 191345886 /nfs/dbraw/zinc/34/58/86/191345886.db2.gz VHQSGDYRWVOAPH-UHFFFAOYSA-N -1 3 281.377 3.010 20 0 CGADHM CC(C)Oc1ccc(NC([O-])=NOC2CCCC2)cc1 ZINC000271826243 191350250 /nfs/dbraw/zinc/35/02/50/191350250.db2.gz QWLWOXMVIAYDHQ-UHFFFAOYSA-N -1 3 278.352 3.470 20 0 CGADHM CC(C)Oc1ccc(NC(=O)[N-]OC2CCCC2)cc1 ZINC000271826243 191350252 /nfs/dbraw/zinc/35/02/52/191350252.db2.gz QWLWOXMVIAYDHQ-UHFFFAOYSA-N -1 3 278.352 3.470 20 0 CGADHM O=[S@@](CCC1=CCCCC1)c1ccc([O-])cc1 ZINC000414242795 235372723 /nfs/dbraw/zinc/37/27/23/235372723.db2.gz QKAPGXKGRIVTCQ-KRWDZBQOSA-N -1 3 250.363 3.390 20 0 CGADHM O=C([O-])CCCN1CCC[C@@H]1Cc1c(F)cccc1Cl ZINC000116358680 138365681 /nfs/dbraw/zinc/36/56/81/138365681.db2.gz PVCPKYBXSSOLDW-LLVKDONJSA-N -1 3 299.773 3.351 20 0 CGADHM O=C(Nc1ccc([O-])cc1F)c1cncc2ccccc21 ZINC000124569896 138376279 /nfs/dbraw/zinc/37/62/79/138376279.db2.gz JNSPWFJBXWYOES-UHFFFAOYSA-N -1 3 282.274 3.332 20 0 CGADHM O=C(CCCc1ccc(F)c(F)c1)Nc1ncccc1[O-] ZINC000123968857 138371943 /nfs/dbraw/zinc/37/19/43/138371943.db2.gz JLCCVLKWPGHBAP-UHFFFAOYSA-N -1 3 292.285 3.027 20 0 CGADHM CC[C@@H](C)[C@H](CNCc1cccc([O-])c1Cl)OC ZINC000294346378 199006511 /nfs/dbraw/zinc/00/65/11/199006511.db2.gz YUTYEIASYWTQRN-MFKMUULPSA-N -1 3 271.788 3.196 20 0 CGADHM Cc1cccc(NC(=O)c2cc([O-])ccc2Cl)n1 ZINC000235921510 138514175 /nfs/dbraw/zinc/51/41/75/138514175.db2.gz WFZPTCWDPVIBOV-UHFFFAOYSA-N -1 3 262.696 3.001 20 0 CGADHM Cc1cccc([O-])c1NC(=O)c1cc[nH]c1C1CC1 ZINC000336235079 213064813 /nfs/dbraw/zinc/06/48/13/213064813.db2.gz OOZVCVXHUKBXBV-UHFFFAOYSA-N -1 3 256.305 3.158 20 0 CGADHM C[C@H](CCCCC(=O)[O-])NCc1c(F)cccc1F ZINC000426644159 236304394 /nfs/dbraw/zinc/30/43/94/236304394.db2.gz BSUPUEAHYATYQU-SNVBAGLBSA-N -1 3 271.307 3.088 20 0 CGADHM Cc1ccc(C)c(CN[C@@H](C(=O)[O-])c2cccc(F)c2)c1 ZINC000426804600 236315571 /nfs/dbraw/zinc/31/55/71/236315571.db2.gz VBFKMFYRSQTYRD-MRXNPFEDSA-N -1 3 287.334 3.358 20 0 CGADHM Cc1ccc(F)cc1CN[C@@H](C(=O)[O-])c1ccsc1 ZINC000426814635 236316179 /nfs/dbraw/zinc/31/61/79/236316179.db2.gz AAVHXTXRSKVFTR-CYBMUJFWSA-N -1 3 279.336 3.111 20 0 CGADHM CN(C(=O)CCCc1ccc([O-])c(F)c1)[C@@H]1CC1(C)C ZINC000428084460 236361548 /nfs/dbraw/zinc/36/15/48/236361548.db2.gz NZHCXWTWPCSWMF-CQSZACIVSA-N -1 3 279.355 3.111 20 0 CGADHM CC(C)[C@]1(C)C[C@H]1C(=O)Nc1ccc([O-])cc1F ZINC000336078315 212882452 /nfs/dbraw/zinc/88/24/52/212882452.db2.gz ZELJNORDWZUOSI-HZMBPMFUSA-N -1 3 251.301 3.152 20 0 CGADHM Cc1ccc(C(=O)N2CCc3cc(F)ccc32)c([O-])c1 ZINC000436621315 237145029 /nfs/dbraw/zinc/14/50/29/237145029.db2.gz BEYMWTIXFMRKSI-UHFFFAOYSA-N -1 3 271.291 3.043 20 0 CGADHM O=C(NCC1(Sc2ccccc2)CC1)c1ccccc1[O-] ZINC000436558529 237126814 /nfs/dbraw/zinc/12/68/14/237126814.db2.gz YHACWBCKMYBLBS-UHFFFAOYSA-N -1 3 299.395 3.447 20 0 CGADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CCC2(CCC2)C1 ZINC000436584435 237136337 /nfs/dbraw/zinc/13/63/37/237136337.db2.gz PSNAYQZZWXIRCX-UHFFFAOYSA-N -1 3 285.387 3.287 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2ccc(OC(C)C)nc2)c1 ZINC000436825223 237190335 /nfs/dbraw/zinc/19/03/35/237190335.db2.gz KIQNEXDQSOMDBC-UHFFFAOYSA-N -1 3 286.331 3.135 20 0 CGADHM Cc1ccccc1C[C@@H](C)N(C)C(=O)c1ccc(O)cc1[O-] ZINC000436708748 237161947 /nfs/dbraw/zinc/16/19/47/237161947.db2.gz KRJYGDGRCVNOIH-CYBMUJFWSA-N -1 3 299.370 3.109 20 0 CGADHM Cc1ccc(C(=O)NCc2cccc3cc[nH]c32)c([O-])c1C ZINC000436839002 237194735 /nfs/dbraw/zinc/19/47/35/237194735.db2.gz KWYBNCKRGYYGPH-UHFFFAOYSA-N -1 3 294.354 3.420 20 0 CGADHM Cc1ccnc(-c2noc(-c3ccc(C)c(C)c3[O-])n2)c1 ZINC000436890933 237204918 /nfs/dbraw/zinc/20/49/18/237204918.db2.gz GTAONCGUQYSOCL-UHFFFAOYSA-N -1 3 281.315 3.429 20 0 CGADHM CC(C)O[N-]C(=O)CCSc1cccc(Cl)c1 ZINC000297265879 200130885 /nfs/dbraw/zinc/13/08/85/200130885.db2.gz RQPFDLBIOSRNJN-UHFFFAOYSA-N -1 3 273.785 3.278 20 0 CGADHM CC(=O)c1ccsc1[N-]C(=O)c1cc(C2CC2)no1 ZINC000297807522 200284210 /nfs/dbraw/zinc/28/42/10/200284210.db2.gz KJJMICVFUOVJQK-UHFFFAOYSA-N -1 3 276.317 3.068 20 0 CGADHM C[C@H](CC(=O)Nc1ncccc1[O-])Cc1cccc(F)c1 ZINC000341894151 216142001 /nfs/dbraw/zinc/14/20/01/216142001.db2.gz WYORUAMRJWRCAN-NSHDSACASA-N -1 3 288.322 3.134 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N(C)Cc2cccc(Cl)c2)n1 ZINC000177913654 189079264 /nfs/dbraw/zinc/07/92/64/189079264.db2.gz PSHBZLZYAWRUBN-NSHDSACASA-N -1 3 291.782 3.337 20 0 CGADHM Cc1ccc(O[C@@H](C)CNC(=O)c2cccc(C)c2[O-])cc1 ZINC000440266805 238300785 /nfs/dbraw/zinc/30/07/85/238300785.db2.gz KJYRJAZJVAFRGO-AWEZNQCLSA-N -1 3 299.370 3.206 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CCC[C@H]2c2cccn2C)c1 ZINC000180352138 189251038 /nfs/dbraw/zinc/25/10/38/189251038.db2.gz CPRKGJNWFLQWAX-HNNXBMFYSA-N -1 3 284.359 3.016 20 0 CGADHM CC(C)(C)c1nc(C[N-]c2nc(C3CC3)no2)cs1 ZINC000181984222 189311429 /nfs/dbraw/zinc/31/14/29/189311429.db2.gz CDVNLVVZWWBJLN-UHFFFAOYSA-N -1 3 278.381 3.313 20 0 CGADHM C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)c1cccc([O-])c1 ZINC000182577109 189328332 /nfs/dbraw/zinc/32/83/32/189328332.db2.gz OSANUIWVFJMMNW-CXAGYDPISA-N -1 3 281.355 3.410 20 0 CGADHM CCO[N-]C(=O)CC(C)(C)CC(=O)c1ccc(C)cc1 ZINC000183273080 189352425 /nfs/dbraw/zinc/35/24/25/189352425.db2.gz TWQVSWWROLLARE-UHFFFAOYSA-N -1 3 277.364 3.052 20 0 CGADHM C[C@H](c1cccs1)N(C)C(=O)Cc1ccc([O-])c(F)c1 ZINC000448723895 239033595 /nfs/dbraw/zinc/03/35/95/239033595.db2.gz CUKVKHQLFXPPCI-SNVBAGLBSA-N -1 3 293.363 3.355 20 0 CGADHM CCCn1c(=O)[n-]nc1SC[C@H]1CCCCC1(F)F ZINC000450678770 240032325 /nfs/dbraw/zinc/03/23/25/240032325.db2.gz UNWIHOQAGSUHQT-SECBINFHSA-N -1 3 291.367 3.311 20 0 CGADHM CC1CC([N-]S(=O)(=O)c2ccc3ccccc3c2F)C1 ZINC000451272707 240263966 /nfs/dbraw/zinc/26/39/66/240263966.db2.gz XKRXRAZZNUAAMO-UHFFFAOYSA-N -1 3 293.363 3.056 20 0 CGADHM CCC1([N-]S(=O)(=O)c2oc3ccc(F)cc3c2C)CC1 ZINC000451689284 240343628 /nfs/dbraw/zinc/34/36/28/240343628.db2.gz LQTNZTSRCGEINL-UHFFFAOYSA-N -1 3 297.351 3.101 20 0 CGADHM CCO[C@@H]1CCCC[C@H]1NC(=O)c1cc([O-])ccc1Cl ZINC000456932634 241518950 /nfs/dbraw/zinc/51/89/50/241518950.db2.gz IQDVFRZRYZQMEM-ZIAGYGMSSA-N -1 3 297.782 3.123 20 0 CGADHM C[C@]1(F)CCN(Cc2cccc([O-])c2Br)C1 ZINC000459348482 242086612 /nfs/dbraw/zinc/08/66/12/242086612.db2.gz DKTKSMNKUPOSKX-LBPRGKRZSA-N -1 3 288.160 3.089 20 0 CGADHM CO[C@@](C)(C(=O)Nc1ccc(C(C)(C)C)cc1[O-])C1CC1 ZINC000462388345 242340565 /nfs/dbraw/zinc/34/05/65/242340565.db2.gz AEJYTCXXSAWGDX-QGZVFWFLSA-N -1 3 291.391 3.443 20 0 CGADHM Cc1ccc(NC(=O)[C@H]2CCC[C@H](F)C2)c([O-])c1 ZINC000335517202 212206137 /nfs/dbraw/zinc/20/61/37/212206137.db2.gz YDXSHWSWSXTAIY-QWRGUYRKSA-N -1 3 251.301 3.167 20 0 CGADHM C[C@@H]1CC[C@H](C[N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000481247652 243184733 /nfs/dbraw/zinc/18/47/33/243184733.db2.gz UECFHSBBNFGPRI-BDAKNGLRSA-N -1 3 293.841 3.116 20 0 CGADHM CCc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C)c2)cc1 ZINC000485099817 243325408 /nfs/dbraw/zinc/32/54/08/243325408.db2.gz LDGOSSGHGJILHJ-UHFFFAOYSA-N -1 3 293.363 3.497 20 0 CGADHM CCc1cc(C(=O)NC[C@H](C)c2ccccc2)ccc1[O-] ZINC000485584821 243337337 /nfs/dbraw/zinc/33/73/37/243337337.db2.gz QCMKYKUPTDMRHP-ZDUSSCGKSA-N -1 3 283.371 3.488 20 0 CGADHM CCOc1ccccc1NC(=O)c1cc(C)ccc1[O-] ZINC000019838132 368770388 /nfs/dbraw/zinc/77/03/88/368770388.db2.gz FQGIDKAEIVDBMM-UHFFFAOYSA-N -1 3 271.316 3.352 20 0 CGADHM O=C(NCc1cccc(C(F)(F)F)c1)c1ccccc1[O-] ZINC000019838350 368770535 /nfs/dbraw/zinc/77/05/35/368770535.db2.gz FIZKITDLQSJKLU-UHFFFAOYSA-N -1 3 295.260 3.341 20 0 CGADHM [O-]c1ccc(-c2noc(-c3ccc(F)c(F)c3)n2)cc1 ZINC000034956114 368981838 /nfs/dbraw/zinc/98/18/38/368981838.db2.gz ZPFJOEWVTMPBLA-UHFFFAOYSA-N -1 3 274.226 3.387 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-][C@H](C)CCCC(C)C)o1 ZINC000330640679 203069752 /nfs/dbraw/zinc/06/97/52/203069752.db2.gz CYIKXZGRHRLUEP-LLVKDONJSA-N -1 3 273.398 3.081 20 0 CGADHM O=C([O-])[C@H](NCc1ccccc1)c1cccc(Cl)c1 ZINC000037952405 369127411 /nfs/dbraw/zinc/12/74/11/369127411.db2.gz WLMMZQCJIIHPDV-CQSZACIVSA-N -1 3 275.735 3.256 20 0 CGADHM CC(=O)c1cccc(NC(=O)Nc2ccc([O-])cc2)c1 ZINC000041703656 369196266 /nfs/dbraw/zinc/19/62/66/369196266.db2.gz VLDYRIDRZXNULW-UHFFFAOYSA-N -1 3 270.288 3.239 20 0 CGADHM COc1cccc(C(=O)N(C)[C@@H](C)c2cccs2)c1[O-] ZINC000042315202 369213431 /nfs/dbraw/zinc/21/34/31/369213431.db2.gz KIJCNLKKNNRZTE-JTQLQIEISA-N -1 3 291.372 3.296 20 0 CGADHM COc1ccc(C(=O)N(C)[C@@H]2CCC[C@H](C)C2)c([O-])c1 ZINC000042355422 369216111 /nfs/dbraw/zinc/21/61/11/369216111.db2.gz MPYOMBLTUMZBMK-NWDGAFQWSA-N -1 3 277.364 3.052 20 0 CGADHM Cc1ccc([O-])c(C(=O)N(C)[C@@H]2CCC[C@H](C)C2)c1 ZINC000042355451 369216287 /nfs/dbraw/zinc/21/62/87/369216287.db2.gz QGNIDGIIQWQBEG-WCQYABFASA-N -1 3 261.365 3.351 20 0 CGADHM CCOc1ccc(/C=C\C(=O)[N-]OC2CCC2)cc1C ZINC000493399113 244155874 /nfs/dbraw/zinc/15/58/74/244155874.db2.gz JBHCODQUFMTHIL-NTMALXAHSA-N -1 3 275.348 3.007 20 0 CGADHM Cc1cc(C)cc([C@@H](NCc2ccccc2)C(=O)[O-])c1 ZINC000043394839 369250998 /nfs/dbraw/zinc/25/09/98/369250998.db2.gz YWFXWQFJUPHLEL-MRXNPFEDSA-N -1 3 269.344 3.219 20 0 CGADHM COc1ccc(C(=O)N2CCC[C@H]2C2CCCC2)c([O-])c1 ZINC000044352586 369260103 /nfs/dbraw/zinc/26/01/03/369260103.db2.gz JNMIVDFVNHINRG-HNNXBMFYSA-N -1 3 289.375 3.196 20 0 CGADHM CC(C)[C@H]1C[C@@H](CC(=O)Nc2ccc([O-])cc2F)CCO1 ZINC000330816004 203272506 /nfs/dbraw/zinc/27/25/06/203272506.db2.gz QTOCZCYYUALKPO-XHDPSFHLSA-N -1 3 295.354 3.311 20 0 CGADHM Cc1cc([N-]C(=O)c2cnc(-c3ccccc3)s2)no1 ZINC000047063905 369306710 /nfs/dbraw/zinc/30/67/10/369306710.db2.gz WIPZAJPQEYNRFF-UHFFFAOYSA-N -1 3 285.328 3.359 20 0 CGADHM O=C(CCCOCCc1ccccc1)Nc1ccccc1[O-] ZINC000048345530 369342795 /nfs/dbraw/zinc/34/27/95/369342795.db2.gz ILDZUUOQNOCALB-UHFFFAOYSA-N -1 3 299.370 3.370 20 0 CGADHM Cc1ccc(C(=O)N(C)Cc2cccc(F)c2)c([O-])c1C ZINC000048384289 369345432 /nfs/dbraw/zinc/34/54/32/369345432.db2.gz ULLKDMMJZALVOL-UHFFFAOYSA-N -1 3 287.334 3.420 20 0 CGADHM O=C(Nc1ccc2ncccc2c1)c1cccc([O-])c1 ZINC000054108738 369493747 /nfs/dbraw/zinc/49/37/47/369493747.db2.gz DQHXKLFWGSTCLJ-UHFFFAOYSA-N -1 3 264.284 3.193 20 0 CGADHM CCc1ccc(C(=O)N(C)C(C2CC2)C2CC2)c([O-])c1 ZINC000276217056 193245940 /nfs/dbraw/zinc/24/59/40/193245940.db2.gz MCFVMLZSJDQUBG-UHFFFAOYSA-N -1 3 273.376 3.215 20 0 CGADHM COc1ccc(CN[C@@H](CC(=O)[O-])c2ccsc2)cc1 ZINC000276360366 193299338 /nfs/dbraw/zinc/29/93/38/193299338.db2.gz ADUUTZUROAVFPO-AWEZNQCLSA-N -1 3 291.372 3.062 20 0 CGADHM CCC1(C)CCN(C(=O)c2cccc(OC)c2[O-])CC1 ZINC000060942519 369594386 /nfs/dbraw/zinc/59/43/86/369594386.db2.gz MXWNMHSHZPLKJX-UHFFFAOYSA-N -1 3 277.364 3.053 20 0 CGADHM O=C(NCC1CCCC1)c1cc([O-])ccc1C(F)(F)F ZINC000276470020 193344193 /nfs/dbraw/zinc/34/41/93/193344193.db2.gz QCQAGXQMSUCCAW-UHFFFAOYSA-N -1 3 287.281 3.331 20 0 CGADHM Cn1cc(Cl)cc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000109091736 370361117 /nfs/dbraw/zinc/36/11/17/370361117.db2.gz QJERJZRVKMPIIJ-UHFFFAOYSA-N -1 3 285.130 3.290 20 0 CGADHM Cc1cnccc1[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000112496485 370429132 /nfs/dbraw/zinc/42/91/32/370429132.db2.gz NFRFVMFWHCEHGD-UHFFFAOYSA-N -1 3 298.367 3.344 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2c(C)[nH]nc2C(F)F)c1 ZINC000511991706 245013762 /nfs/dbraw/zinc/01/37/62/245013762.db2.gz MHLDAVGJGKYYCI-UHFFFAOYSA-N -1 3 295.289 3.176 20 0 CGADHM [O-]c1ccc(F)c(CN2CCc3c2cccc3F)c1F ZINC000512557065 245040998 /nfs/dbraw/zinc/04/09/98/245040998.db2.gz KXDBLMCQFXBZDY-UHFFFAOYSA-N -1 3 279.261 3.372 20 0 CGADHM O=C([N-]c1cc(F)ccc1F)c1ncoc1[C@@H]1CCCO1 ZINC000114998400 370516145 /nfs/dbraw/zinc/51/61/45/370516145.db2.gz GZHHUGFTZAFRLF-NSHDSACASA-N -1 3 294.257 3.057 20 0 CGADHM COCC(=O)[N-]c1cc(-c2ccc(C(C)(C)C)cc2)no1 ZINC000115157051 370524273 /nfs/dbraw/zinc/52/42/73/370524273.db2.gz FSNMOZMMRDMKON-UHFFFAOYSA-N -1 3 288.347 3.224 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)CC[C@@H]2CCCO2)c1[O-] ZINC000116979211 370576793 /nfs/dbraw/zinc/57/67/93/370576793.db2.gz LVLFFMRGVBPZLU-NSHDSACASA-N -1 3 283.755 3.252 20 0 CGADHM Cc1ccc(-c2nc([C@@H]3CCO[C@H](C)C3)no2)c([O-])c1 ZINC000331631835 204027129 /nfs/dbraw/zinc/02/71/29/204027129.db2.gz IAYVGCKXXRKDLC-GHMZBOCLSA-N -1 3 274.320 3.033 20 0 CGADHM O=C(Cc1ccc(Cl)cc1)NCc1ccc([O-])c(F)c1 ZINC000132868083 371209058 /nfs/dbraw/zinc/20/90/58/371209058.db2.gz NEMFHAKGGQNXJT-UHFFFAOYSA-N -1 3 293.725 3.044 20 0 CGADHM CC[C@@H]1CCCCCN1Cc1nc(=O)c2sccc2[n-]1 ZINC000150737906 371533994 /nfs/dbraw/zinc/53/39/94/371533994.db2.gz MXQVSGWIGOCTJQ-LLVKDONJSA-N -1 3 291.420 3.139 20 0 CGADHM CC(C)c1noc([N-][C@@H](C)c2c(F)cncc2F)n1 ZINC000286682297 371538760 /nfs/dbraw/zinc/53/87/60/371538760.db2.gz YMVHYIZWRCXRIC-ZETCQYMHSA-N -1 3 268.267 3.039 20 0 CGADHM Cc1ccc(C(=O)N(C)C2CC(OC(C)(C)C)C2)c([O-])c1 ZINC000421691792 371606169 /nfs/dbraw/zinc/60/61/69/371606169.db2.gz DBDQANTUFYSPHB-UHFFFAOYSA-N -1 3 291.391 3.119 20 0 CGADHM CCO[N-]C(=O)Nc1cccc(Cl)c1OCC(F)F ZINC000287551998 371672816 /nfs/dbraw/zinc/67/28/16/371672816.db2.gz KLBDLENMZWGVSK-UHFFFAOYSA-N -1 3 294.685 3.057 20 0 CGADHM CCC1(CC)[C@H](OC)C[C@@H]1N(C)C(=O)c1ccccc1[O-] ZINC000151766857 371632408 /nfs/dbraw/zinc/63/24/08/371632408.db2.gz KPXKUSOUCWDOJS-LSDHHAIUSA-N -1 3 291.391 3.058 20 0 CGADHM CC(C)(C)c1ccc([O-])c(NC(=O)c2cncs2)c1 ZINC000287776085 371704845 /nfs/dbraw/zinc/70/48/45/371704845.db2.gz BTIVMPJNIYFCIB-UHFFFAOYSA-N -1 3 276.361 3.399 20 0 CGADHM CCn1nc(C)c([C@@H](C)NCc2ccc([O-])c(F)c2)c1C ZINC000153457279 371769314 /nfs/dbraw/zinc/76/93/14/371769314.db2.gz VYYYWHVBJADQDN-SNVBAGLBSA-N -1 3 291.370 3.215 20 0 CGADHM Cc1cc(CN2[C@H](C)CCC[C@H]2C)oc1C(=O)[O-] ZINC000036812796 541860001 /nfs/dbraw/zinc/86/00/01/541860001.db2.gz BXNPQWZERBCMQU-GHMZBOCLSA-N -1 3 251.326 3.049 20 0 CGADHM Cc1conc1[N-]C(=O)c1ncoc1-c1ccc(C)cc1 ZINC000154594900 371859379 /nfs/dbraw/zinc/85/93/79/371859379.db2.gz ACEJCNLRABWXIN-UHFFFAOYSA-N -1 3 283.287 3.199 20 0 CGADHM CN(Cc1ccon1)Cc1cc([O-])cc(C(F)(F)F)c1 ZINC000290343266 371967989 /nfs/dbraw/zinc/96/79/89/371967989.db2.gz DUFCSYAMQDKLRM-UHFFFAOYSA-N -1 3 286.253 3.031 20 0 CGADHM O=C(Nc1ccccc1[O-])c1cc(-c2ccc(F)cc2)on1 ZINC000156303482 371972324 /nfs/dbraw/zinc/97/23/24/371972324.db2.gz VNPDHVFCJHHHPY-UHFFFAOYSA-N -1 3 298.273 3.439 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)Sc2ccccc2O)n1 ZINC000157110249 372006071 /nfs/dbraw/zinc/00/60/71/372006071.db2.gz MYJGQKXYOPWGTL-VIFPVBQESA-N -1 3 262.334 3.050 20 0 CGADHM CCn1c2ccccc2nc1[C@H](C)[N-]c1nnc(C2CC2)o1 ZINC000290905245 372073495 /nfs/dbraw/zinc/07/34/95/372073495.db2.gz FVCWCWGFYFINQY-JTQLQIEISA-N -1 3 297.362 3.490 20 0 CGADHM CCc1cc(C(=O)Nc2cc3c(cn2)CCCC3)ccc1[O-] ZINC000428575951 372235964 /nfs/dbraw/zinc/23/59/64/372235964.db2.gz BPLKOHIETKQBLH-UHFFFAOYSA-N -1 3 296.370 3.481 20 0 CGADHM COC(=O)c1ccc(C(=O)Nc2cccc(C(C)C)c2)[n-]1 ZINC000430886533 372402162 /nfs/dbraw/zinc/40/21/62/372402162.db2.gz UJZWSVQNKMOLBS-UHFFFAOYSA-N -1 3 286.331 3.177 20 0 CGADHM O=C(Nc1ccccc1[O-])c1ccc(-c2cc[nH]n2)s1 ZINC000431481815 372477495 /nfs/dbraw/zinc/47/74/95/372477495.db2.gz IJIZVFALPFNCEO-UHFFFAOYSA-N -1 3 285.328 3.096 20 0 CGADHM C[C@H](CC(=O)[N-]OCCC(F)(F)F)c1ccccc1 ZINC000162828101 372426925 /nfs/dbraw/zinc/42/69/25/372426925.db2.gz QUYFIQHBLPXQNV-SNVBAGLBSA-N -1 3 275.270 3.180 20 0 CGADHM Cc1noc(C)c1C[C@H](C)NCc1cccc([O-])c1Cl ZINC000293679836 372447945 /nfs/dbraw/zinc/44/79/45/372447945.db2.gz VKZHMTHHARHXSO-VIFPVBQESA-N -1 3 294.782 3.371 20 0 CGADHM CC(C)c1ccccc1OCCC(=O)[N-]OCC1CC1 ZINC000293704049 372455400 /nfs/dbraw/zinc/45/54/00/372455400.db2.gz DUQCNZIMDUFIAY-UHFFFAOYSA-N -1 3 277.364 3.037 20 0 CGADHM Cc1cc(CCCC(=O)[N-]OCC2CC2)c(C)s1 ZINC000293702137 372455678 /nfs/dbraw/zinc/45/56/78/372455678.db2.gz DPISJBFCWVVACI-UHFFFAOYSA-N -1 3 267.394 3.145 20 0 CGADHM CN(CCc1ccccn1)Cc1cccc([O-])c1Cl ZINC000293753133 372470188 /nfs/dbraw/zinc/47/01/88/372470188.db2.gz YIBNBKQQUQBRTG-UHFFFAOYSA-N -1 3 276.767 3.115 20 0 CGADHM CC1CCC(N(C)C(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC000163673588 372487737 /nfs/dbraw/zinc/48/77/37/372487737.db2.gz RSAFQDCOVRPEJG-UHFFFAOYSA-N -1 3 294.370 3.251 20 0 CGADHM O=C([N-]OCC1CC1)C1(Cc2ccccc2Cl)CC1 ZINC000293881858 372511140 /nfs/dbraw/zinc/51/11/40/372511140.db2.gz XTFAOXFOOGEJCS-UHFFFAOYSA-N -1 3 279.767 3.121 20 0 CGADHM CC[C@H]1CCN(C(=O)c2c[n-]c3c(C)cc(C)cc3c2=O)C1 ZINC000164739005 372531311 /nfs/dbraw/zinc/53/13/11/372531311.db2.gz KOTKRBRHKQAPSJ-ZDUSSCGKSA-N -1 3 298.386 3.429 20 0 CGADHM Cc1cccc([O-])c1NC(=O)c1ccc(-c2cc[nH]n2)s1 ZINC000432176884 372544075 /nfs/dbraw/zinc/54/40/75/372544075.db2.gz LBOFPZFOJNQSAI-UHFFFAOYSA-N -1 3 299.355 3.405 20 0 CGADHM CC(C)ON=C([O-])Nc1ccc(Cl)c(Cl)c1 ZINC000294185135 372607649 /nfs/dbraw/zinc/60/76/49/372607649.db2.gz SEUHUXHVEZOSRC-UHFFFAOYSA-N -1 3 263.124 3.455 20 0 CGADHM CC(C)O[N-]C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000294185135 372607650 /nfs/dbraw/zinc/60/76/50/372607650.db2.gz SEUHUXHVEZOSRC-UHFFFAOYSA-N -1 3 263.124 3.455 20 0 CGADHM O=[S@](Cc1nc2ccccc2s1)c1ccc([O-])cc1 ZINC000170973502 372693407 /nfs/dbraw/zinc/69/34/07/372693407.db2.gz ZXSLKRPEJJHDHX-LJQANCHMSA-N -1 3 289.381 3.310 20 0 CGADHM [O-]c1cc(F)cc(CN2CCOc3c(F)cccc3C2)c1 ZINC000435031775 372726768 /nfs/dbraw/zinc/72/67/68/372726768.db2.gz BAHNVEPJQJPYRL-UHFFFAOYSA-N -1 3 291.297 3.065 20 0 CGADHM CC(C)(C)OC1CCN(Cc2c(F)ccc([O-])c2F)CC1 ZINC000295328791 372739243 /nfs/dbraw/zinc/73/92/43/372739243.db2.gz LWHIAKLONMZVEN-UHFFFAOYSA-N -1 3 299.361 3.450 20 0 CGADHM Cc1cccc(C(=O)N[C@@H]2CC[C@H]3CCC[C@H]3C2)c1[O-] ZINC000436562264 372836176 /nfs/dbraw/zinc/83/61/76/372836176.db2.gz AANGFIFOWKTENB-HZSPNIEDSA-N -1 3 273.376 3.399 20 0 CGADHM O=C(Nc1ccccc1[O-])[C@H]1C[C@]12CCc1ccccc12 ZINC000175085802 284372175 /nfs/dbraw/zinc/37/21/75/284372175.db2.gz RPRNMEDHVKDWOW-KDOFPFPSSA-N -1 3 279.339 3.235 20 0 CGADHM COc1cc(C(=O)N2CCC[C@@H](CC(C)C)C2)ccc1[O-] ZINC000443063593 373147938 /nfs/dbraw/zinc/14/79/38/373147938.db2.gz YXKRMNDRVWXJKT-ZDUSSCGKSA-N -1 3 291.391 3.299 20 0 CGADHM CC(C)ON=C([O-])Nc1ccc(F)cc1Br ZINC000296670524 373215679 /nfs/dbraw/zinc/21/56/79/373215679.db2.gz PJLZOBINPJHRRT-UHFFFAOYSA-N -1 3 291.120 3.050 20 0 CGADHM CC(C)O[N-]C(=O)Nc1ccc(F)cc1Br ZINC000296670524 373215689 /nfs/dbraw/zinc/21/56/89/373215689.db2.gz PJLZOBINPJHRRT-UHFFFAOYSA-N -1 3 291.120 3.050 20 0 CGADHM CCC(=O)Nc1ccc(Cl)c(NC([O-])=NOC(C)C)c1 ZINC000296692430 373219986 /nfs/dbraw/zinc/21/99/86/373219986.db2.gz RJMQVXSMOUHYED-UHFFFAOYSA-N -1 3 299.758 3.150 20 0 CGADHM CCC(=O)Nc1ccc(Cl)c(NC(=O)[N-]OC(C)C)c1 ZINC000296692430 373219992 /nfs/dbraw/zinc/21/99/92/373219992.db2.gz RJMQVXSMOUHYED-UHFFFAOYSA-N -1 3 299.758 3.150 20 0 CGADHM Cc1ccc(F)c(CN(C)C(=O)c2cccc([O-])c2)c1 ZINC000444433080 373188458 /nfs/dbraw/zinc/18/84/58/373188458.db2.gz UHBXMIDMJJWFPN-UHFFFAOYSA-N -1 3 273.307 3.112 20 0 CGADHM Cc1ccc(C(=O)N2CCC[C@H](C(C)C)C2)c([O-])c1 ZINC000444522964 373196560 /nfs/dbraw/zinc/19/65/60/373196560.db2.gz YFYZHZHTOYDWTB-ZDUSSCGKSA-N -1 3 261.365 3.209 20 0 CGADHM COc1ccc(C(=O)Nc2nc(C)ccc2[O-])cc1C1CC1 ZINC000445159847 373294635 /nfs/dbraw/zinc/29/46/35/373294635.db2.gz ODXPZTZJYISYMA-UHFFFAOYSA-N -1 3 298.342 3.234 20 0 CGADHM O=C(Nc1ccsc1Cl)c1cc(F)cc2nn[n-]c21 ZINC000337598591 284388085 /nfs/dbraw/zinc/38/80/85/284388085.db2.gz MFQRLDFTDOTHSI-UHFFFAOYSA-N -1 3 296.714 3.064 20 0 CGADHM O=C(Nc1ccsc1Cl)c1cc(F)cc2[n-]nnc21 ZINC000337598591 284388087 /nfs/dbraw/zinc/38/80/87/284388087.db2.gz MFQRLDFTDOTHSI-UHFFFAOYSA-N -1 3 296.714 3.064 20 0 CGADHM O=C(Nc1ccsc1Cl)c1cc(F)cc2n[n-]nc21 ZINC000337598591 284388088 /nfs/dbraw/zinc/38/80/88/284388088.db2.gz MFQRLDFTDOTHSI-UHFFFAOYSA-N -1 3 296.714 3.064 20 0 CGADHM Cc1cccc(C(=O)Nc2ncc(Cl)s2)c1[O-] ZINC000064499269 541888257 /nfs/dbraw/zinc/88/82/57/541888257.db2.gz QHBYEBSDJCDQCO-UHFFFAOYSA-N -1 3 268.725 3.063 20 0 CGADHM Cc1cccc([C@@H]2CCN([C@H](C)c3nc(C)cc(=O)[n-]3)C2)c1 ZINC000447887977 373517965 /nfs/dbraw/zinc/51/79/65/373517965.db2.gz HZBTVVLGDDFRQY-GDBMZVCRSA-N -1 3 297.402 3.350 20 0 CGADHM C[C@H]1CCCC[C@H]1CNC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000299228665 373485845 /nfs/dbraw/zinc/48/58/45/373485845.db2.gz QYPHMRRCWWBROF-STQMWFEESA-N -1 3 298.386 3.497 20 0 CGADHM C[C@@H]1CCCC[C@@H]1CNC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000299228654 373486056 /nfs/dbraw/zinc/48/60/56/373486056.db2.gz QYPHMRRCWWBROF-CHWSQXEVSA-N -1 3 298.386 3.497 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000448604300 373622113 /nfs/dbraw/zinc/62/21/13/373622113.db2.gz CRCHUYKXCUSZPP-DZGCQCFKSA-N -1 3 291.366 3.255 20 0 CGADHM C[C@@H]([N-]c1nc2ccccc2o1)C(=O)Nc1ccccc1 ZINC000301246032 373708995 /nfs/dbraw/zinc/70/89/95/373708995.db2.gz PZAPQQLYTBJYBY-LLVKDONJSA-N -1 3 281.315 3.267 20 0 CGADHM CCC1([N-]S(=O)(=O)c2ccc(Cl)s2)CCC1 ZINC000177538254 373691425 /nfs/dbraw/zinc/69/14/25/373691425.db2.gz PRVWQTCGWVHZIP-UHFFFAOYSA-N -1 3 279.814 3.013 20 0 CGADHM O=C(Cc1ccc([O-])cc1Cl)NCCC1CCCC1 ZINC000178474920 373782890 /nfs/dbraw/zinc/78/28/90/373782890.db2.gz OOXNROIKRHLMAS-UHFFFAOYSA-N -1 3 281.783 3.285 20 0 CGADHM Cc1cccc(C)c1NCC(=O)Nc1c(C)cccc1[O-] ZINC000179566614 373888338 /nfs/dbraw/zinc/88/83/38/373888338.db2.gz HVYVLODCAHMKAK-UHFFFAOYSA-N -1 3 284.359 3.368 20 0 CGADHM Cc1cccc([O-])c1NC(=O)Cn1ccc2ccccc21 ZINC000179559343 373889053 /nfs/dbraw/zinc/88/90/53/373889053.db2.gz CQVSSCFRFKODLW-UHFFFAOYSA-N -1 3 280.327 3.294 20 0 CGADHM [O-]c1ccc(F)c(CN2CCC[C@@]3(CCSC3)C2)c1F ZINC000449734179 373860002 /nfs/dbraw/zinc/86/00/02/373860002.db2.gz RHFBJVNSYFCOSZ-OAHLLOKOSA-N -1 3 299.386 3.390 20 0 CGADHM CCC[C@]1(C)CCCN(C(=O)c2cccc3[n-]nnc32)C1 ZINC000180097459 373963337 /nfs/dbraw/zinc/96/33/37/373963337.db2.gz BWJKZCWYOGTELX-MRXNPFEDSA-N -1 3 286.379 3.000 20 0 CGADHM CCC[C@]1(C)CCCN(C(=O)c2cccc3nn[n-]c32)C1 ZINC000180097459 373963343 /nfs/dbraw/zinc/96/33/43/373963343.db2.gz BWJKZCWYOGTELX-MRXNPFEDSA-N -1 3 286.379 3.000 20 0 CGADHM CCC[C@]1(C)CCCN(C(=O)c2cccc3n[n-]nc32)C1 ZINC000180097459 373963348 /nfs/dbraw/zinc/96/33/48/373963348.db2.gz BWJKZCWYOGTELX-MRXNPFEDSA-N -1 3 286.379 3.000 20 0 CGADHM O=C(C[C@@H]1CC[C@@H]2C[C@@H]21)Nc1cc(Cl)ccc1[O-] ZINC000449819788 373935903 /nfs/dbraw/zinc/93/59/03/373935903.db2.gz JSIMZSSZXAECBO-YWVKMMECSA-N -1 3 265.740 3.420 20 0 CGADHM CCC[C@@H]1CCC[C@H]1C(=O)N=c1cc(-c2ccncc2)[n-][nH]1 ZINC000449836119 373939223 /nfs/dbraw/zinc/93/92/23/373939223.db2.gz RSLCJOJFYNPIPB-TZMCWYRMSA-N -1 3 298.390 3.049 20 0 CGADHM Cc1cccc(C(=O)NCCCOC2CCCCC2)c1[O-] ZINC000302890991 373999794 /nfs/dbraw/zinc/99/97/94/373999794.db2.gz RQVLQGMQAIJCCI-UHFFFAOYSA-N -1 3 291.391 3.170 20 0 CGADHM Cc1cccc(C(=O)N[C@@H]2CCCOc3ccccc32)c1[O-] ZINC000303122530 374011673 /nfs/dbraw/zinc/01/16/73/374011673.db2.gz QDMLEYSHCXYELS-OAHLLOKOSA-N -1 3 297.354 3.344 20 0 CGADHM C[C@@H]1CC[C@H](C(=O)NCc2ccc([O-])c(F)c2)C[C@H]1C ZINC000449911640 373968235 /nfs/dbraw/zinc/96/82/35/373968235.db2.gz ITYQEELCFFEZTB-WZRBSPASSA-N -1 3 279.355 3.220 20 0 CGADHM Cc1ccc(-c2ccc(C(=O)[N-]c3nncs3)s2)o1 ZINC000180624268 374028312 /nfs/dbraw/zinc/02/83/12/374028312.db2.gz ZWXKGLHTMXYZOW-UHFFFAOYSA-N -1 3 291.357 3.420 20 0 CGADHM CC(C)(C(=O)Nc1ncccc1[O-])c1ccccc1Cl ZINC000180995244 374067505 /nfs/dbraw/zinc/06/75/05/374067505.db2.gz ZARDZFGQOFNWEO-UHFFFAOYSA-N -1 3 290.750 3.357 20 0 CGADHM CCC(C)(C)OCCNCc1cccc([O-])c1Cl ZINC000308725846 374175979 /nfs/dbraw/zinc/17/59/79/374175979.db2.gz GMAYXCSGBUCUCW-UHFFFAOYSA-N -1 3 271.788 3.340 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N(C)Cc2ccc(C)c(C)c2)n1 ZINC000452048761 374218822 /nfs/dbraw/zinc/21/88/22/374218822.db2.gz QOERFPSKPIHSQM-AWEZNQCLSA-N -1 3 285.391 3.300 20 0 CGADHM O=C(N[C@H]1CCc2cc(Cl)ccc21)c1cccc([O-])c1 ZINC000182218337 374238238 /nfs/dbraw/zinc/23/82/38/374238238.db2.gz RYWXYZHHNJEFFF-HNNXBMFYSA-N -1 3 287.746 3.463 20 0 CGADHM O=C([O-])[C@@H]1Cc2ccccc2CN1C/C=C/c1ccccc1 ZINC000315665615 374330018 /nfs/dbraw/zinc/33/00/18/374330018.db2.gz YJILOPKNVFPMFP-YOCVDRLZSA-N -1 3 293.366 3.211 20 0 CGADHM O=C(Nc1cccc(-c2ncco2)c1)c1cccc([O-])c1 ZINC000182901196 374341609 /nfs/dbraw/zinc/34/16/09/374341609.db2.gz RUICSSPJEWCPFP-UHFFFAOYSA-N -1 3 280.283 3.300 20 0 CGADHM CCc1cc(C)c(C(=O)Nc2c(C)cccc2[O-])o1 ZINC000183021635 374355582 /nfs/dbraw/zinc/35/55/82/374355582.db2.gz SVXZOUPKHNNIPS-UHFFFAOYSA-N -1 3 259.305 3.417 20 0 CGADHM Cc1ccc(CCC(=O)Nc2c(C)cccc2[O-])o1 ZINC000183076982 374368494 /nfs/dbraw/zinc/36/84/94/374368494.db2.gz GMDUGLSAPGFHOX-UHFFFAOYSA-N -1 3 259.305 3.173 20 0 CGADHM C[C@@H](C(=O)Nc1ccc([O-])cc1F)c1cccc(F)c1 ZINC000183258128 374394067 /nfs/dbraw/zinc/39/40/67/374394067.db2.gz QULOCNMRSYLZNB-SECBINFHSA-N -1 3 277.270 3.413 20 0 CGADHM CCc1cc(C)c(C(=O)Nc2ccc([O-])cc2F)o1 ZINC000183278700 374394895 /nfs/dbraw/zinc/39/48/95/374394895.db2.gz SSBGVTVHMZPQEX-UHFFFAOYSA-N -1 3 263.268 3.247 20 0 CGADHM COc1ccc(CN2CCC(C)(C(=O)[O-])CC2)cc1Cl ZINC000086777172 541940141 /nfs/dbraw/zinc/94/01/41/541940141.db2.gz YRGAPGZGJSEPCR-UHFFFAOYSA-N -1 3 297.782 3.035 20 0 CGADHM C[C@@H](c1ccccc1F)N1CCC[C@H](CC(=O)[O-])C1 ZINC000086757469 541940299 /nfs/dbraw/zinc/94/02/99/541940299.db2.gz CTBFJYQEINLMLV-NWDGAFQWSA-N -1 3 265.328 3.073 20 0 CGADHM O=[S@@](Cc1ncc(-c2ccccc2)o1)c1cccc([O-])c1 ZINC000184044532 374485563 /nfs/dbraw/zinc/48/55/63/374485563.db2.gz XRPWQHXQWVDITL-NRFANRHFSA-N -1 3 299.351 3.355 20 0 CGADHM CC1CCC(CN2Cc3ccccc3[C@@H](C(=O)[O-])C2)CC1 ZINC000089584134 541953668 /nfs/dbraw/zinc/95/36/68/541953668.db2.gz VULYAGWJRVQCKA-KVULBXGLSA-N -1 3 287.403 3.497 20 0 CGADHM CCc1ccc(/C=C/C(=O)Nc2cccc([O-])c2F)o1 ZINC000184231035 374505520 /nfs/dbraw/zinc/50/55/20/374505520.db2.gz MDBDBFFSVLCPDK-CMDGGOBGSA-N -1 3 275.279 3.339 20 0 CGADHM CCc1cc(C(=O)Nc2ccc3c(n2)CCC3)ccc1[O-] ZINC000456635053 374585369 /nfs/dbraw/zinc/58/53/69/374585369.db2.gz FXJDZQQFTNKLQK-UHFFFAOYSA-N -1 3 282.343 3.091 20 0 CGADHM CC(C)Oc1ccc(CNCc2cc([O-])cc(F)c2)cn1 ZINC000185469900 374669248 /nfs/dbraw/zinc/66/92/48/374669248.db2.gz WCTGJEDJGVSSQS-UHFFFAOYSA-N -1 3 290.338 3.003 20 0 CGADHM Cc1cc(C(=O)NC2(C3CCC3)CCC2)ccc1[O-] ZINC000458237489 374731187 /nfs/dbraw/zinc/73/11/87/374731187.db2.gz LSQKBWNUNAEYGY-UHFFFAOYSA-N -1 3 259.349 3.153 20 0 CGADHM C[C@@H]1CCN(C(=O)c2ccc(F)cn2)c2c([O-])cccc21 ZINC000186263665 374822190 /nfs/dbraw/zinc/82/21/90/374822190.db2.gz KJOBJIVTRANVJY-SNVBAGLBSA-N -1 3 286.306 3.080 20 0 CGADHM O=S(=O)([N-]c1c(F)cc(Cl)cc1F)c1ccoc1 ZINC000334472335 374778850 /nfs/dbraw/zinc/77/88/50/374778850.db2.gz HXDHVYFODOEQJW-UHFFFAOYSA-N -1 3 293.678 3.012 20 0 CGADHM C[C@H]1CCN(C(=O)Cc2ccc(O)cc2)c2c([O-])cccc21 ZINC000186332244 374833586 /nfs/dbraw/zinc/83/35/86/374833586.db2.gz UNUATPNLYGFHLU-LBPRGKRZSA-N -1 3 297.354 3.181 20 0 CGADHM C[C@@H]1CCN(C(=O)Cc2ccc(O)cc2)c2c([O-])cccc21 ZINC000186332222 374834036 /nfs/dbraw/zinc/83/40/36/374834036.db2.gz UNUATPNLYGFHLU-GFCCVEGCSA-N -1 3 297.354 3.181 20 0 CGADHM CCCc1ccccc1NC(=O)c1cccc2nn[n-]c21 ZINC000187096910 374969911 /nfs/dbraw/zinc/96/99/11/374969911.db2.gz VVUIEPZBAZGHKU-UHFFFAOYSA-N -1 3 280.331 3.163 20 0 CGADHM CCCc1ccccc1NC(=O)c1cccc2[n-]nnc21 ZINC000187096910 374969917 /nfs/dbraw/zinc/96/99/17/374969917.db2.gz VVUIEPZBAZGHKU-UHFFFAOYSA-N -1 3 280.331 3.163 20 0 CGADHM CCCc1ccccc1NC(=O)c1cccc2n[n-]nc21 ZINC000187096910 374969921 /nfs/dbraw/zinc/96/99/21/374969921.db2.gz VVUIEPZBAZGHKU-UHFFFAOYSA-N -1 3 280.331 3.163 20 0 CGADHM CCO[N-]C(=O)Nc1ccc(OC(C)C)cc1Cl ZINC000187255056 374993966 /nfs/dbraw/zinc/99/39/66/374993966.db2.gz PLQXYDDLZRNOLK-UHFFFAOYSA-N -1 3 272.732 3.200 20 0 CGADHM CCc1ccc(C(=O)N2CCC[C@H]3CCC[C@H]32)c([O-])c1 ZINC000187846742 375105862 /nfs/dbraw/zinc/10/58/62/375105862.db2.gz UWCRBSQDIFXFHD-UKRRQHHQSA-N -1 3 273.376 3.359 20 0 CGADHM Cc1cccc2c(=O)c(C(=O)N3CCCC[C@@H]3C)c[n-]c12 ZINC000188170862 375170498 /nfs/dbraw/zinc/17/04/98/375170498.db2.gz NTLVRVKAAOEZAX-LBPRGKRZSA-N -1 3 284.359 3.263 20 0 CGADHM Cc1cc(C(=O)NC2CCC(C(F)F)CC2)ccc1[O-] ZINC000335148157 375174929 /nfs/dbraw/zinc/17/49/29/375174929.db2.gz SZDWSIIUEDEGMR-UHFFFAOYSA-N -1 3 283.318 3.254 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2ccc(CO)c(Cl)c2)c1 ZINC000474608564 375121562 /nfs/dbraw/zinc/12/15/62/375121562.db2.gz WMDZDRAYZHGEQP-UHFFFAOYSA-N -1 3 291.734 3.099 20 0 CGADHM C[C@H]1CCCC[C@]1(C)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000335093315 375125805 /nfs/dbraw/zinc/12/58/05/375125805.db2.gz WRKVAGSUCNOQIQ-SGTLLEGYSA-N -1 3 298.386 3.227 20 0 CGADHM CCc1cc(C(=O)N2CC[C@@H](C)C(C)(C)C2)ccc1[O-] ZINC000487130914 375201127 /nfs/dbraw/zinc/20/11/27/375201127.db2.gz XZHWLYGCIMQPMX-GFCCVEGCSA-N -1 3 275.392 3.463 20 0 CGADHM O=C(Nc1ccc(Cl)cc1)c1n[n-]nc1-c1ccccc1 ZINC000188393828 375208771 /nfs/dbraw/zinc/20/87/71/375208771.db2.gz XWSCDIDNLQYALL-UHFFFAOYSA-N -1 3 298.733 3.377 20 0 CGADHM Cc1cc(F)ccc1NC(=O)c1n[n-]nc1-c1ccccc1 ZINC000188430822 375214305 /nfs/dbraw/zinc/21/43/05/375214305.db2.gz LTTRLINDGPETMT-UHFFFAOYSA-N -1 3 296.305 3.172 20 0 CGADHM CCc1cc(C(=O)NC[C@H]2CC[C@H](C)C2)ccc1[O-] ZINC000487598447 375261379 /nfs/dbraw/zinc/26/13/79/375261379.db2.gz SLJYYKZZHLMDEB-RYUDHWBXSA-N -1 3 261.365 3.121 20 0 CGADHM O=C(/C=C\c1ccc[nH]1)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000492019351 375396533 /nfs/dbraw/zinc/39/65/33/375396533.db2.gz WSWJYCGKJIGOFY-XQRVVYSFSA-N -1 3 296.248 3.391 20 0 CGADHM O=C(/C=C\c1cncc([O-])c1)Nc1ccsc1Cl ZINC000491989162 375387401 /nfs/dbraw/zinc/38/74/01/375387401.db2.gz HZKUIXUEJORDJL-UPHRSURJSA-N -1 3 280.736 3.154 20 0 CGADHM CC1(C(=O)Nc2cccc([O-])c2F)CCCCC1 ZINC000335776638 375421386 /nfs/dbraw/zinc/42/13/86/375421386.db2.gz MDCIENZDSYFNJN-UHFFFAOYSA-N -1 3 251.301 3.440 20 0 CGADHM [O-]c1ccc(F)c(CN2CCC[C@@H]2c2cccnc2)c1F ZINC000335909901 375533520 /nfs/dbraw/zinc/53/35/20/375533520.db2.gz VHPNZMFOPMXQHA-CQSZACIVSA-N -1 3 290.313 3.403 20 0 CGADHM COc1ccc(C(=O)Nc2cccc([O-])c2F)cc1Cl ZINC000335915080 375536932 /nfs/dbraw/zinc/53/69/32/375536932.db2.gz GWUXCNQDFIGJNB-UHFFFAOYSA-N -1 3 295.697 3.446 20 0 CGADHM CC(=O)c1cc(C(=O)Nc2ccc(C)cc2[O-])cs1 ZINC000335927635 375545832 /nfs/dbraw/zinc/54/58/32/375545832.db2.gz WDMGKFCTKXIYFU-UHFFFAOYSA-N -1 3 275.329 3.217 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])[C@H]1CCC(=O)c2ccccc21 ZINC000335894287 375520576 /nfs/dbraw/zinc/52/05/76/375520576.db2.gz YGELIPXHVAJRQW-ZDUSSCGKSA-N -1 3 299.301 3.230 20 0 CGADHM CCc1ccc(C(=O)N(C)CC2CCCC2)c([O-])c1 ZINC000190639899 375527423 /nfs/dbraw/zinc/52/74/23/375527423.db2.gz WYDQRXIUCSQORM-UHFFFAOYSA-N -1 3 261.365 3.217 20 0 CGADHM [O-]c1cc(F)cc(CNc2ccc(Cl)cn2)c1 ZINC000191935596 375679466 /nfs/dbraw/zinc/67/94/66/375679466.db2.gz YNSQSVANRNTQDA-UHFFFAOYSA-N -1 3 252.676 3.192 20 0 CGADHM CC(C)C(=O)N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1 ZINC000508065435 375734719 /nfs/dbraw/zinc/73/47/19/375734719.db2.gz XDRCNVGBRGYJMY-UHFFFAOYSA-N -1 3 298.173 3.400 20 0 CGADHM Cc1oc(C)c(C(=O)Nc2cccc([O-])c2F)c1C ZINC000128745838 542053140 /nfs/dbraw/zinc/05/31/40/542053140.db2.gz GLUIMYBQLCDHQY-UHFFFAOYSA-N -1 3 263.268 3.302 20 0 CGADHM Clc1csc(C[N-]c2nnc([C@H]3CCCO3)o2)c1 ZINC000192752009 375786225 /nfs/dbraw/zinc/78/62/25/375786225.db2.gz RFKPEHATLWWHQI-SECBINFHSA-N -1 3 285.756 3.248 20 0 CGADHM C[C@@H](c1ccccc1F)N(C)C(=O)c1ccc(O)cc1[O-] ZINC000193229022 375844795 /nfs/dbraw/zinc/84/47/95/375844795.db2.gz JUWMGKAKDHATPU-JTQLQIEISA-N -1 3 289.306 3.070 20 0 CGADHM [O-]c1cccc(CN2CCC[C@@H]3COCC[C@@H]32)c1Cl ZINC000336613971 375875833 /nfs/dbraw/zinc/87/58/33/375875833.db2.gz NXHBGXXKNVRTAK-OLZOCXBDSA-N -1 3 281.783 3.047 20 0 CGADHM COC(=O)c1cnc(SCCCSCC(C)C)[n-]1 ZINC000193542909 375892469 /nfs/dbraw/zinc/89/24/69/375892469.db2.gz VVJXSIVJOBPJRU-UHFFFAOYSA-N -1 3 288.438 3.068 20 0 CGADHM CC(C)c1n[nH]cc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000193752179 375918181 /nfs/dbraw/zinc/91/81/81/375918181.db2.gz ZYZMJXCFGWCSAQ-UHFFFAOYSA-N -1 3 279.727 3.144 20 0 CGADHM CC(C)c1[nH]ncc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000193752179 375918188 /nfs/dbraw/zinc/91/81/88/375918188.db2.gz ZYZMJXCFGWCSAQ-UHFFFAOYSA-N -1 3 279.727 3.144 20 0 CGADHM Cc1cc2c([n-]c(CO[C@@H]3CCCC[C@@H]3C)nc2=O)s1 ZINC000194400503 375999931 /nfs/dbraw/zinc/99/99/31/375999931.db2.gz VSRXHANMESOQQG-JOYOIKCWSA-N -1 3 292.404 3.388 20 0 CGADHM COc1ccc2oc([C@@H](C)[N-]C(=O)C(F)F)c(C)c2c1 ZINC000194582470 376021736 /nfs/dbraw/zinc/02/17/36/376021736.db2.gz WGYOAOAHQBXJES-MRVPVSSYSA-N -1 3 283.274 3.192 20 0 CGADHM CCc1[n-][nH]c(=NC(=O)c2ccc3[nH]c(C)c(C)c3c2)c1C ZINC000336895966 376024971 /nfs/dbraw/zinc/02/49/71/376024971.db2.gz RHMWMHHRBCAYPJ-UHFFFAOYSA-N -1 3 296.374 3.053 20 0 CGADHM CC(C)Oc1ncccc1NCc1cc([O-])cc(F)c1 ZINC000223119916 376245600 /nfs/dbraw/zinc/24/56/00/376245600.db2.gz DAPUHWGYOYMPPJ-UHFFFAOYSA-N -1 3 276.311 3.326 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CC[C@@H]2c2ccccc2)c1 ZINC000538756549 376269928 /nfs/dbraw/zinc/26/99/28/376269928.db2.gz KXKIECBYFZTPPC-OAHLLOKOSA-N -1 3 267.328 3.288 20 0 CGADHM CC[C@@H]1CCC[C@@H](NC(=O)c2ccc([O-])c(C)c2)C1 ZINC000227033451 376379093 /nfs/dbraw/zinc/37/90/93/376379093.db2.gz VZKWRQVJMKRSPM-TZMCWYRMSA-N -1 3 261.365 3.399 20 0 CGADHM C[C@@H]1CC[C@H](CNC(=O)c2cc([O-])ccc2Cl)C1 ZINC000230429033 376519622 /nfs/dbraw/zinc/51/96/22/376519622.db2.gz VNADGRIBQVQBTB-ZJUUUORDSA-N -1 3 267.756 3.212 20 0 CGADHM C[C@H](Cc1ccccc1Cl)C(=O)Nc1ncccc1[O-] ZINC000338939005 376584913 /nfs/dbraw/zinc/58/49/13/376584913.db2.gz GNNDCJGXMXQIGA-SNVBAGLBSA-N -1 3 290.750 3.258 20 0 CGADHM CC(C)[C@@]1(C(=O)[O-])CCN(Cc2cc(F)ccc2Cl)C1 ZINC000232781423 376590623 /nfs/dbraw/zinc/59/06/23/376590623.db2.gz HQQUIDCJTMWATE-OAHLLOKOSA-N -1 3 299.773 3.412 20 0 CGADHM Cc1occc1CN(C)C(=O)c1cc([O-])ccc1Cl ZINC000234318042 376614289 /nfs/dbraw/zinc/61/42/89/376614289.db2.gz LCZWJWOKBGVWMM-UHFFFAOYSA-N -1 3 279.723 3.219 20 0 CGADHM Cc1ccc(NC(=O)c2cc([O-])ccc2Cl)cn1 ZINC000235894754 376652234 /nfs/dbraw/zinc/65/22/34/376652234.db2.gz BOEIIIBEUWFTFB-UHFFFAOYSA-N -1 3 262.696 3.001 20 0 CGADHM CCc1ccc([O-])c(C(=O)N(C)C[C@H]2CC=CCC2)c1 ZINC000544307458 376720501 /nfs/dbraw/zinc/72/05/01/376720501.db2.gz ZWLSJAAXBSHTSG-AWEZNQCLSA-N -1 3 273.376 3.383 20 0 CGADHM C[C@@H]1CCN(C(=O)c2cccc([O-])c2)[C@H]2CCCC[C@H]12 ZINC000543746469 376673369 /nfs/dbraw/zinc/67/33/69/376673369.db2.gz PQRFXJGRFQGJMZ-WQVCFCJDSA-N -1 3 273.376 3.433 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2ccc(OCC(F)F)cc2)n1 ZINC000339116266 376689131 /nfs/dbraw/zinc/68/91/31/376689131.db2.gz ITRCMZYQFLOYEU-QPJJXVBHSA-N -1 3 292.285 3.305 20 0 CGADHM COc1ccc(NC(=O)[C@H](C)c2ccsc2)c([O-])c1 ZINC000135416975 542087223 /nfs/dbraw/zinc/08/72/23/542087223.db2.gz VWBQAZOMBFTKFX-SECBINFHSA-N -1 3 277.345 3.205 20 0 CGADHM CCCSCc1nc(-c2ccc([O-])cc2)no1 ZINC000264651119 190125775 /nfs/dbraw/zinc/12/57/75/190125775.db2.gz SFYAUJQXRXIYHZ-UHFFFAOYSA-N -1 3 250.323 3.085 20 0 CGADHM O=C(COc1ccc(F)cc1)Nc1ccc(Cl)cc1[O-] ZINC000153586502 542112755 /nfs/dbraw/zinc/11/27/55/542112755.db2.gz XWRSDHCYWWOQNO-UHFFFAOYSA-N -1 3 295.697 3.202 20 0 CGADHM CCc1cccc(C(=O)Nc2cc(Cl)ccn2)c1[O-] ZINC000556966051 376913132 /nfs/dbraw/zinc/91/31/32/376913132.db2.gz DXKVTHGZTNOGJC-UHFFFAOYSA-N -1 3 276.723 3.255 20 0 CGADHM CC(C)CCSCC(=O)Nc1ccccc1[O-] ZINC000340101060 376917049 /nfs/dbraw/zinc/91/70/49/376917049.db2.gz VOXFBWLZUFXVDB-UHFFFAOYSA-N -1 3 253.367 3.110 20 0 CGADHM C[C@@H](CC(=O)N=c1cc2ccccn2[n-]1)c1ccc(F)cc1 ZINC000557537804 376941749 /nfs/dbraw/zinc/94/17/49/376941749.db2.gz GMGGKFXYOAPRJO-LBPRGKRZSA-N -1 3 297.333 3.028 20 0 CGADHM Cc1oc2ccccc2c1C(=O)N=c1cc2ccccn2[n-]1 ZINC000557538392 376942267 /nfs/dbraw/zinc/94/22/67/376942267.db2.gz PQUOGKJASAIUQY-UHFFFAOYSA-N -1 3 291.310 3.063 20 0 CGADHM CC[C@H](C(=O)Nc1ccc(Cl)cc1[O-])N(CC)CC ZINC000340327737 377003334 /nfs/dbraw/zinc/00/33/34/377003334.db2.gz DHDLJZJAVGBSPV-GFCCVEGCSA-N -1 3 284.787 3.105 20 0 CGADHM Cc1oc(C(C)C)cc1C(=O)N=c1cc2ccccn2[n-]1 ZINC000561153327 377210892 /nfs/dbraw/zinc/21/08/92/377210892.db2.gz DBWNWMUKZLCSAG-UHFFFAOYSA-N -1 3 283.331 3.033 20 0 CGADHM C[C@@H]1C[C@@H]1c1ccc(CNC(=O)c2cc([O-])ccc2F)o1 ZINC000562645460 377340565 /nfs/dbraw/zinc/34/05/65/377340565.db2.gz ZMWAVJVYSXLPAA-SKDRFNHKSA-N -1 3 289.306 3.178 20 0 CGADHM CC(C)(C)c1cccc(C(=O)NCc2ncccc2[O-])c1 ZINC000563392917 377454835 /nfs/dbraw/zinc/45/48/35/377454835.db2.gz RCTSIMKSSQCJNY-UHFFFAOYSA-N -1 3 284.359 3.015 20 0 CGADHM Cc1cc(C)cc(CN[C@H](CC(=O)[O-])c2ccncc2)c1 ZINC000515433458 249212208 /nfs/dbraw/zinc/21/22/08/249212208.db2.gz XAEVONGJXCDTNP-MRXNPFEDSA-N -1 3 284.359 3.004 20 0 CGADHM C[C@@H]1[C@H](C(=O)[O-])CCCN1C/C=C\c1ccc(F)c(F)c1 ZINC000515828586 249220818 /nfs/dbraw/zinc/22/08/18/249220818.db2.gz MLKDACLWIACKME-YBBLEYEWSA-N -1 3 295.329 3.163 20 0 CGADHM CN(Cc1ccc(OC(F)F)cc1)Cc1ncccc1[O-] ZINC000518836771 249287303 /nfs/dbraw/zinc/28/73/03/249287303.db2.gz PBQANVPXEKOVPY-UHFFFAOYSA-N -1 3 294.301 3.021 20 0 CGADHM CCCC[C@H](CCC)NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000573978781 377602329 /nfs/dbraw/zinc/60/23/29/377602329.db2.gz DPUVBDRKNDKBGR-LBPRGKRZSA-N -1 3 291.395 3.148 20 0 CGADHM Cc1cc(CN([C@@H](C)C2CC2)C2CC2)oc1C(=O)[O-] ZINC000574331562 377650872 /nfs/dbraw/zinc/65/08/72/377650872.db2.gz FOKWFZGAHMPKRK-JTQLQIEISA-N -1 3 263.337 3.049 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)[C@@H]2C[C@@H](C)O[C@@H](C)C2)c1[O-] ZINC000252802322 377664961 /nfs/dbraw/zinc/66/49/61/377664961.db2.gz LDCYKVLXRVSKCW-JGPRNRPPSA-N -1 3 297.782 3.496 20 0 CGADHM CC1=C(C)C[C@H](C(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC000574574558 377681172 /nfs/dbraw/zinc/68/11/72/377681172.db2.gz GSFGFSDTOKSIKT-CYBMUJFWSA-N -1 3 277.339 3.284 20 0 CGADHM O=C(/C=C\c1nc2ccccc2s1)Nc1ncccc1[O-] ZINC000255265471 377743845 /nfs/dbraw/zinc/74/38/45/377743845.db2.gz GHKWGZWDZUSSGC-FPLPWBNLSA-N -1 3 297.339 3.049 20 0 CGADHM Cc1cccc([C@@H]2CCN(c3ccncc3C(=O)[O-])C2)c1 ZINC000575062588 377744042 /nfs/dbraw/zinc/74/40/42/377744042.db2.gz SEHKGHZBYDUWBK-CQSZACIVSA-N -1 3 282.343 3.082 20 0 CGADHM C[C@@H]1CC[C@H](C(=O)[O-])CN1Cc1cnc(C(C)(C)C)s1 ZINC000263133716 377920564 /nfs/dbraw/zinc/92/05/64/377920564.db2.gz DAZCAXOZQFRLKL-MNOVXSKESA-N -1 3 296.436 3.126 20 0 CGADHM CC(C)(C)[C@H](NCCC(=O)[O-])c1ccc(F)cc1F ZINC000263186754 377922434 /nfs/dbraw/zinc/92/24/34/377922434.db2.gz HYCDTLSPZDJOTI-CYBMUJFWSA-N -1 3 271.307 3.116 20 0 CGADHM Cc1cc(Cl)cc(C)c1CN1CCC[C@H](C(=O)[O-])C1 ZINC000263395435 377931823 /nfs/dbraw/zinc/93/18/23/377931823.db2.gz GJFDXCJOGBJNJV-LBPRGKRZSA-N -1 3 281.783 3.253 20 0 CGADHM O=C([O-])[C@H](NCc1ccc2c(c1)CCCC2)c1ccccc1 ZINC000263420082 377933534 /nfs/dbraw/zinc/93/35/34/377933534.db2.gz OOHKBGMEHNHMRX-GOSISDBHSA-N -1 3 295.382 3.481 20 0 CGADHM CN(C)c1cccc(CN(C)Cc2ccc(C(=O)[O-])cc2)c1 ZINC000263564990 377947408 /nfs/dbraw/zinc/94/74/08/377947408.db2.gz FFSIFXDHDZMWLT-UHFFFAOYSA-N -1 3 298.386 3.083 20 0 CGADHM Cc1cccc(C)c1OCCNCc1ccc(C(=O)[O-])cc1 ZINC000262953782 377912599 /nfs/dbraw/zinc/91/25/99/377912599.db2.gz BBHXSATWYJUZAC-UHFFFAOYSA-N -1 3 299.370 3.170 20 0 CGADHM Cc1cccc(C(=O)N2CC[C@@H](c3cccc(F)c3)C2)c1[O-] ZINC000264301852 377973897 /nfs/dbraw/zinc/97/38/97/377973897.db2.gz VSFJMSXFBUGKLT-CQSZACIVSA-N -1 3 299.345 3.469 20 0 CGADHM Cc1o[n-]c(=NC(=O)c2coc(C3CCCCC3)n2)c1C ZINC000575875284 377997512 /nfs/dbraw/zinc/99/75/12/377997512.db2.gz GVNYIJLXRHAFIK-UHFFFAOYSA-N -1 3 289.335 3.001 20 0 CGADHM CC1(C)[C@@H]2CN(Cc3cc(C(=O)[O-])ccc3Cl)C[C@@H]21 ZINC000578242364 378050150 /nfs/dbraw/zinc/05/01/50/378050150.db2.gz UNTSHEUMQWHQMF-TXEJJXNPSA-N -1 3 279.767 3.126 20 0 CGADHM C[C@@H]1C[C@H](C)N(Cc2c(Cl)cccc2C(=O)[O-])C1 ZINC000579120117 378131592 /nfs/dbraw/zinc/13/15/92/378131592.db2.gz ZKMDAZGJBWWROU-ZJUUUORDSA-N -1 3 267.756 3.269 20 0 CGADHM CO[C@H]1CCC[C@H](C(=O)Nc2cc(Cl)cc(C)c2[O-])C1 ZINC000343928366 378135640 /nfs/dbraw/zinc/13/56/40/378135640.db2.gz MECXFWWWEWNUAY-JQWIXIFHSA-N -1 3 297.782 3.498 20 0 CGADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H]3CCC3(C)C)nc2)n1 ZINC000343786518 378091961 /nfs/dbraw/zinc/09/19/61/378091961.db2.gz CDJKNHMYESSRLQ-CYBMUJFWSA-N -1 3 298.390 3.407 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)Sc2nccn2C(C)C)n1 ZINC000269091741 378187063 /nfs/dbraw/zinc/18/70/63/378187063.db2.gz ZHHYTFUGSKHTGI-JTQLQIEISA-N -1 3 278.381 3.121 20 0 CGADHM COc1cccc2c(C(=O)Nc3ccc(F)c(C)c3)[n-]nc21 ZINC000345206298 378223439 /nfs/dbraw/zinc/22/34/39/378223439.db2.gz PDPSLVCMJJDOQS-UHFFFAOYSA-N -1 3 299.305 3.271 20 0 CGADHM COc1cccc2c(C(=O)Nc3ccc(F)c(C)c3)n[n-]c21 ZINC000345206298 378223444 /nfs/dbraw/zinc/22/34/44/378223444.db2.gz PDPSLVCMJJDOQS-UHFFFAOYSA-N -1 3 299.305 3.271 20 0 CGADHM C[C@@H]1CCCC[C@H]1c1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000579965806 378213202 /nfs/dbraw/zinc/21/32/02/378213202.db2.gz RSJAGIBTLWRXPN-MWLCHTKSSA-N -1 3 283.335 3.302 20 0 CGADHM c1noc(C2CC2)c1CSc1n[n-]c(-c2ccccn2)n1 ZINC000269932501 378284396 /nfs/dbraw/zinc/28/43/96/378284396.db2.gz PLUQIQODSMZZMT-UHFFFAOYSA-N -1 3 299.359 3.024 20 0 CGADHM Cc1ccccc1-c1cc(=NC(=O)[C@H](C)C(C)(F)F)[nH][n-]1 ZINC000345310356 378252166 /nfs/dbraw/zinc/25/21/66/378252166.db2.gz WTDKTJGWCYROBS-JTQLQIEISA-N -1 3 293.317 3.037 20 0 CGADHM CCCC1(C(=O)NCc2ccc([O-])c(F)c2)CCC1 ZINC000345314335 378254010 /nfs/dbraw/zinc/25/40/10/378254010.db2.gz QBIDKVBEGOAFBW-UHFFFAOYSA-N -1 3 265.328 3.118 20 0 CGADHM CS[C@H](C)CC(=O)Nc1ccc(Cl)cc1[O-] ZINC000270242803 378325810 /nfs/dbraw/zinc/32/58/10/378325810.db2.gz JTPPUWOHNKZAMD-SSDOTTSWSA-N -1 3 259.758 3.126 20 0 CGADHM CCn1nc(C)c(C(=O)Nc2ccc(Cl)cc2[O-])c1C ZINC000270348519 378339128 /nfs/dbraw/zinc/33/91/28/378339128.db2.gz FKRRPARPLPMIOH-UHFFFAOYSA-N -1 3 293.754 3.131 20 0 CGADHM Cc1ccc([O-])c(NC(=O)C(C)(C)c2ccc(F)cc2)n1 ZINC000345930435 378411773 /nfs/dbraw/zinc/41/17/73/378411773.db2.gz QAPVWJJGLWTGFD-UHFFFAOYSA-N -1 3 288.322 3.151 20 0 CGADHM CCOC(C)(C)C(=O)[N-]c1onc(C(F)(F)F)c1CC ZINC000637242640 378472485 /nfs/dbraw/zinc/47/24/85/378472485.db2.gz FIYDSTVRADAXAW-UHFFFAOYSA-N -1 3 294.273 3.009 20 0 CGADHM CCCN(CC1CC1)C(=O)c1ccc(C)c(C)c1[O-] ZINC000271184699 378474509 /nfs/dbraw/zinc/47/45/09/378474509.db2.gz DKUSMIXASXGWBI-UHFFFAOYSA-N -1 3 261.365 3.271 20 0 CGADHM Cc1ccccc1[C@H]1CCN(C(=O)c2c([O-])cccc2O)C1 ZINC000271382763 378489508 /nfs/dbraw/zinc/48/95/08/378489508.db2.gz RTCBSWGERUBLSO-ZDUSSCGKSA-N -1 3 297.354 3.036 20 0 CGADHM CSc1ccc(C)c(NC(=O)[N-]OCC(C)C)c1 ZINC000272086010 378559270 /nfs/dbraw/zinc/55/92/70/378559270.db2.gz MKEFOJSQFDASLB-UHFFFAOYSA-N -1 3 268.382 3.426 20 0 CGADHM CN(C[C@H]1CC=CCC1)C(=O)c1cc([O-])ccc1Cl ZINC000346401085 378568069 /nfs/dbraw/zinc/56/80/69/378568069.db2.gz NUXJPYGZUGQZSB-NSHDSACASA-N -1 3 279.767 3.474 20 0 CGADHM CC(C)C1CCN(C(=O)c2cc(=O)c3ccccc3[n-]2)CC1 ZINC000266212264 190240509 /nfs/dbraw/zinc/24/05/09/190240509.db2.gz JUODDPBKDHEAJW-UHFFFAOYSA-N -1 3 298.386 3.449 20 0 CGADHM CCCc1cc(C(=O)N2CC[C@H](C)c3cccc([O-])c32)n[nH]1 ZINC000186290177 542242452 /nfs/dbraw/zinc/24/24/52/542242452.db2.gz JOQDXVWZDRJARF-NSHDSACASA-N -1 3 299.374 3.222 20 0 CGADHM CC(C)c1ccc(-c2nc([C@@H]3CCCO3)no2)c([O-])c1 ZINC000274109250 378777213 /nfs/dbraw/zinc/77/72/13/378777213.db2.gz ITJHCCVGSZOQHM-ZDUSSCGKSA-N -1 3 274.320 3.417 20 0 CGADHM CCCCOCC(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000274330393 378812594 /nfs/dbraw/zinc/81/25/94/378812594.db2.gz AGIRUVFJQUQRNX-LBPRGKRZSA-N -1 3 277.364 3.049 20 0 CGADHM CCCCN(CC)C(=O)c1c[n-]c2ccc(C)cc2c1=O ZINC000346826310 218026391 /nfs/dbraw/zinc/02/63/91/218026391.db2.gz WJUADCNBJZGEIQ-UHFFFAOYSA-N -1 3 286.375 3.099 20 0 CGADHM CN(Cc1cc([O-])cc(F)c1)[C@@H](CCO)c1ccccc1 ZINC000274558593 378850327 /nfs/dbraw/zinc/85/03/27/378850327.db2.gz JSZARTHNNGITMV-KRWDZBQOSA-N -1 3 289.350 3.087 20 0 CGADHM CCCCOCC(=O)[N-]c1onc(C(F)(F)F)c1CC ZINC000274661213 378871368 /nfs/dbraw/zinc/87/13/68/378871368.db2.gz FFFAAVWFXMDLKY-UHFFFAOYSA-N -1 3 294.273 3.011 20 0 CGADHM CCc1cccc(CSc2ncc(C(=O)OC)[n-]2)c1 ZINC000278583391 194055797 /nfs/dbraw/zinc/05/57/97/194055797.db2.gz GEDJPFJUACLCKQ-UHFFFAOYSA-N -1 3 276.361 3.051 20 0 CGADHM O=C(Nc1ccccc1[O-])[C@H]1CCCCN1C1CCCC1 ZINC000370471075 379022236 /nfs/dbraw/zinc/02/22/36/379022236.db2.gz STPCSUFFJYRGLN-OAHLLOKOSA-N -1 3 288.391 3.128 20 0 CGADHM O=C([N-]c1cnns1)Nc1ccc(C2CCC2)cc1 ZINC000278672601 194096689 /nfs/dbraw/zinc/09/66/89/194096689.db2.gz OEKPJYGNJWLOKR-UHFFFAOYSA-N -1 3 274.349 3.450 20 0 CGADHM COc1cc(C(=O)N[C@H]2CCCC(C)(C)C2)ccc1[O-] ZINC000277047373 379054060 /nfs/dbraw/zinc/05/40/60/379054060.db2.gz GNXZVBKTSOTQQI-LBPRGKRZSA-N -1 3 277.364 3.099 20 0 CGADHM Cc1ccc(CNCc2ccccc2CC(=O)[O-])c(C)c1 ZINC000277096186 379067505 /nfs/dbraw/zinc/06/75/05/379067505.db2.gz YLTSHWOANCUXFB-UHFFFAOYSA-N -1 3 283.371 3.220 20 0 CGADHM CC(C)(C)c1nc(CN[C@H](CC(=O)[O-])C(C)(C)C)cs1 ZINC000277166167 379087079 /nfs/dbraw/zinc/08/70/79/379087079.db2.gz DMEFMJVGBQEIEU-LLVKDONJSA-N -1 3 298.452 3.420 20 0 CGADHM CC(C)[C@@H](CNCc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000277232272 379105850 /nfs/dbraw/zinc/10/58/50/379105850.db2.gz IOQIHLCILADGSE-LLVKDONJSA-N -1 3 290.190 3.440 20 0 CGADHM CCCC[C@@H](NCc1cc(Cl)ccc1F)C(=O)[O-] ZINC000277235101 379106205 /nfs/dbraw/zinc/10/62/05/379106205.db2.gz ITPBSVQXGFACRR-GFCCVEGCSA-N -1 3 273.735 3.212 20 0 CGADHM COc1ccc(CN[C@H](c2ccccc2)[C@H](C)C(=O)[O-])cc1 ZINC000277303204 379124397 /nfs/dbraw/zinc/12/43/97/379124397.db2.gz MYDTZNSZSJKSJH-GUYCJALGSA-N -1 3 299.370 3.247 20 0 CGADHM CCc1c(NC([O-])=NOCC(C)C)cnn1CCC(C)C ZINC000277299888 379125194 /nfs/dbraw/zinc/12/51/94/379125194.db2.gz UASJMSZWSOIPEK-UHFFFAOYSA-N -1 3 296.415 3.201 20 0 CGADHM CCc1c(NC(=O)[N-]OCC(C)C)cnn1CCC(C)C ZINC000277299888 379125209 /nfs/dbraw/zinc/12/52/09/379125209.db2.gz UASJMSZWSOIPEK-UHFFFAOYSA-N -1 3 296.415 3.201 20 0 CGADHM CCCC[C@@H](NCc1ccc(Cl)cc1F)C(=O)[O-] ZINC000277366025 379141727 /nfs/dbraw/zinc/14/17/27/379141727.db2.gz QBWWHUCQENLJGC-GFCCVEGCSA-N -1 3 273.735 3.212 20 0 CGADHM Cc1cccc(C(=O)N2CC[C@H](CC(F)(F)F)C2)c1[O-] ZINC000277423945 379156307 /nfs/dbraw/zinc/15/63/07/379156307.db2.gz LXFOWBJTSYJMMC-SNVBAGLBSA-N -1 3 287.281 3.115 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CC[C@@H](CC(F)(F)F)C2)c1 ZINC000277492169 379174248 /nfs/dbraw/zinc/17/42/48/379174248.db2.gz RYDGGUWSMHRNQC-JTQLQIEISA-N -1 3 287.281 3.115 20 0 CGADHM CC(C)(C)[C@@H](CC(=O)[O-])NCc1cc(Cl)ccc1F ZINC000277528097 379182665 /nfs/dbraw/zinc/18/26/65/379182665.db2.gz YZSRIFWXVAMZAH-GFCCVEGCSA-N -1 3 287.762 3.458 20 0 CGADHM Cc1nc2cc(C(=O)Nc3ccc(C)cc3[O-])ccc2o1 ZINC000349295562 379220504 /nfs/dbraw/zinc/22/05/04/379220504.db2.gz BPZVGJSCGGMHOD-UHFFFAOYSA-N -1 3 282.299 3.403 20 0 CGADHM Cc1nc([C@H](C)NCc2cc([O-])cc(F)c2)cs1 ZINC000349562671 379306622 /nfs/dbraw/zinc/30/66/22/379306622.db2.gz FBRGDQGKVXURHC-QMMMGPOBSA-N -1 3 266.341 3.147 20 0 CGADHM Cc1ccc(-c2nc(-c3cccnc3C)no2)c([O-])c1 ZINC000350565278 379561993 /nfs/dbraw/zinc/56/19/93/379561993.db2.gz CNHSIBIOGLGOFL-UHFFFAOYSA-N -1 3 267.288 3.121 20 0 CGADHM O=C(NCc1coc2ccccc12)c1cccc([O-])c1 ZINC000352398959 379795788 /nfs/dbraw/zinc/79/57/88/379795788.db2.gz GPZGFGQYVQXYBH-UHFFFAOYSA-N -1 3 267.284 3.068 20 0 CGADHM O=S(=O)([N-]c1cc(F)cc(F)c1)C1=CCCCC1 ZINC000280676556 379761141 /nfs/dbraw/zinc/76/11/41/379761141.db2.gz ABKHEBYCACOKKC-UHFFFAOYSA-N -1 3 273.304 3.164 20 0 CGADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]C(C)C ZINC000347750141 218343941 /nfs/dbraw/zinc/34/39/41/218343941.db2.gz CGCHMWFDDTZFQB-UHFFFAOYSA-N -1 3 287.768 3.081 20 0 CGADHM [O-]c1cccnc1CNCc1ccc2ccccc2c1 ZINC000347805616 218362675 /nfs/dbraw/zinc/36/26/75/218362675.db2.gz POLIQWIVTNAHNH-UHFFFAOYSA-N -1 3 264.328 3.230 20 0 CGADHM Cc1ccc(F)c(CN2Cc3ccccc3C[C@@H]2C(=O)[O-])c1 ZINC000389727571 379902315 /nfs/dbraw/zinc/90/23/15/379902315.db2.gz IYFVLMPENCMQOW-QGZVFWFLSA-N -1 3 299.345 3.146 20 0 CGADHM C[C@@H]1CCN1C(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000641245540 379978142 /nfs/dbraw/zinc/97/81/42/379978142.db2.gz MINOZPYIZFQBBC-CYBMUJFWSA-N -1 3 297.354 3.206 20 0 CGADHM CC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(C)cc1F ZINC000404853903 379984583 /nfs/dbraw/zinc/98/45/83/379984583.db2.gz ADUGQUBGNPDUDH-GXTWGEPZSA-N -1 3 299.411 3.381 20 0 CGADHM [O-]c1ccc(F)c(CN2CCC[C@@H](OCC3CC3)C2)c1F ZINC000352973526 380061879 /nfs/dbraw/zinc/06/18/79/380061879.db2.gz MKBKJFYQRHOIAZ-GFCCVEGCSA-N -1 3 297.345 3.061 20 0 CGADHM COc1cccc(C(=O)N(C)[C@H](C)C2CCCCC2)c1[O-] ZINC000283620221 380078212 /nfs/dbraw/zinc/07/82/12/380078212.db2.gz OEKYMAZSOGKHTJ-GFCCVEGCSA-N -1 3 291.391 3.442 20 0 CGADHM C[C@@H](NCc1ncccc1[O-])c1cc2ccccc2o1 ZINC000347916554 218398392 /nfs/dbraw/zinc/39/83/92/218398392.db2.gz FFJFCPQPOANXBW-LLVKDONJSA-N -1 3 268.316 3.384 20 0 CGADHM [O-]c1ccc(F)c(CN[C@H]2CC23CCCC3)c1F ZINC000353207442 380167732 /nfs/dbraw/zinc/16/77/32/380167732.db2.gz VBXQJNAVNLALOA-LBPRGKRZSA-N -1 3 253.292 3.093 20 0 CGADHM [O-]c1cc(F)cc(CN2CCSC3(CCC3)CC2)c1 ZINC000414477743 380255190 /nfs/dbraw/zinc/25/51/90/380255190.db2.gz MTHQKSZIAPVXPA-UHFFFAOYSA-N -1 3 281.396 3.393 20 0 CGADHM CCCCOc1ccc(C(=O)N2CC(C3CC3)C2)c([O-])c1 ZINC000643289264 380255250 /nfs/dbraw/zinc/25/52/50/380255250.db2.gz ATIHLNSDNGLCNM-UHFFFAOYSA-N -1 3 289.375 3.053 20 0 CGADHM CCOc1ccc2c(c1)CCN(Cc1nc(C)ccc1[O-])C2 ZINC000354126741 380338624 /nfs/dbraw/zinc/33/86/24/380338624.db2.gz LFEPXPRTBIVAQI-UHFFFAOYSA-N -1 3 298.386 3.053 20 0 CGADHM CCc1ccc(-c2nc([C@@H](N)CC(C)C)no2)c([O-])c1 ZINC000414625891 380343220 /nfs/dbraw/zinc/34/32/20/380343220.db2.gz XFJWBSMBSLVVBJ-LBPRGKRZSA-N -1 3 275.352 3.051 20 0 CGADHM CC[C@@H](N[C@H](C)c1nc(C)cc(=O)[n-]1)c1ccccc1 ZINC000279064098 194268549 /nfs/dbraw/zinc/26/85/49/194268549.db2.gz JARORMRAGWVIIZ-TZMCWYRMSA-N -1 3 271.364 3.293 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)N[C@H](C)c2c(F)cccc2F)n1 ZINC000279066995 194270160 /nfs/dbraw/zinc/27/01/60/194270160.db2.gz JOQJSDIOVBBLNA-NXEZZACHSA-N -1 3 293.317 3.181 20 0 CGADHM CCOc1ccc([C@@H](C)NC(=O)c2cccc([O-])c2)cc1 ZINC000643972141 380404162 /nfs/dbraw/zinc/40/41/62/380404162.db2.gz AXPVEKCIIUBHQA-GFCCVEGCSA-N -1 3 285.343 3.282 20 0 CGADHM Cc1cc(C(=O)Nc2ccc3c(c2)C(=O)CCC3)ccc1[O-] ZINC000354380448 380419328 /nfs/dbraw/zinc/41/93/28/380419328.db2.gz BGUMXEZKGKCEOC-UHFFFAOYSA-N -1 3 295.338 3.472 20 0 CGADHM COc1ccc(F)c(CN[C@H](C)CCC[C@H](C)C(=O)[O-])c1 ZINC000417530020 380633225 /nfs/dbraw/zinc/63/32/25/380633225.db2.gz HFZVUACASLHMIO-NWDGAFQWSA-N -1 3 297.370 3.203 20 0 CGADHM CC(C)c1cnc(CNC[C@@H](CC(=O)[O-])C(C)(C)C)s1 ZINC000417552547 380636719 /nfs/dbraw/zinc/63/67/19/380636719.db2.gz DLHFAVZJMLOAAC-LLVKDONJSA-N -1 3 298.452 3.493 20 0 CGADHM CC[C@@](C)(CNCc1c(F)cc(C)cc1Cl)C(=O)[O-] ZINC000417566991 380639994 /nfs/dbraw/zinc/63/99/94/380639994.db2.gz OAHNFGLSAHJSSR-AWEZNQCLSA-N -1 3 287.762 3.378 20 0 CGADHM CCCc1cccc(CNCc2ncccc2[O-])c1 ZINC000355315880 380640096 /nfs/dbraw/zinc/64/00/96/380640096.db2.gz NNCICXYURDWIPW-UHFFFAOYSA-N -1 3 256.349 3.030 20 0 CGADHM C[C@@H](C(=O)[O-])[C@H](C)NCc1ccc(F)c(Cl)c1Cl ZINC000417607188 380648733 /nfs/dbraw/zinc/64/87/33/380648733.db2.gz MEPJCETXQXAOMY-RQJHMYQMSA-N -1 3 294.153 3.331 20 0 CGADHM CN(CCC(C)(C)C)C(=O)NCc1ccc([O-])c(F)c1 ZINC000645309641 380646050 /nfs/dbraw/zinc/64/60/50/380646050.db2.gz PVRIUPDMMXDZQP-UHFFFAOYSA-N -1 3 282.359 3.109 20 0 CGADHM CCn1nc(C)c(CNCc2cccc([O-])c2Cl)c1C ZINC000645151944 380596049 /nfs/dbraw/zinc/59/60/49/380596049.db2.gz RMYBQCDQUBAALE-UHFFFAOYSA-N -1 3 293.798 3.169 20 0 CGADHM [O-]c1cccc(CNC[C@@H](CO)C2CCCCC2)c1Cl ZINC000645202738 380613885 /nfs/dbraw/zinc/61/38/85/380613885.db2.gz XVNANELALUMGEM-AWEZNQCLSA-N -1 3 297.826 3.324 20 0 CGADHM Cc1ccc(NC(=O)c2cc(Cl)cc(F)c2N)c([O-])c1 ZINC000355461824 380675472 /nfs/dbraw/zinc/67/54/72/380675472.db2.gz ZQABMGCFXBBAJX-UHFFFAOYSA-N -1 3 294.713 3.328 20 0 CGADHM Cc1ccc(CNC[C@@H](CC(=O)[O-])C(F)(F)F)cc1C ZINC000417619682 380655468 /nfs/dbraw/zinc/65/54/68/380655468.db2.gz FKRJDSVHWDTNDD-GFCCVEGCSA-N -1 3 289.297 3.046 20 0 CGADHM O=C([O-])[C@@H]1C=C[C@@H](NCc2c(Cl)oc3ccccc32)C1 ZINC000417626905 380656252 /nfs/dbraw/zinc/65/62/52/380656252.db2.gz UEXOWFLTAFNUHG-NXEZZACHSA-N -1 3 291.734 3.205 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-][C@H](C2CCC2)C2CCCC2)o1 ZINC000645812430 380740406 /nfs/dbraw/zinc/74/04/06/380740406.db2.gz IZIAPIUPRCYFSO-HNNXBMFYSA-N -1 3 297.420 3.225 20 0 CGADHM Cc1cccc([O-])c1NC(=O)c1ccoc1Br ZINC000195060366 542278836 /nfs/dbraw/zinc/27/88/36/542278836.db2.gz BPTYRDVQIZGQAD-UHFFFAOYSA-N -1 3 296.120 3.308 20 0 CGADHM Cc1cccc(NC(=O)c2ccc3c(c2)CCCC3=O)c1[O-] ZINC000645930066 380782451 /nfs/dbraw/zinc/78/24/51/380782451.db2.gz PZCSYSGZCHXILL-UHFFFAOYSA-N -1 3 295.338 3.472 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CCC[C@]3(CCSC3)C2)c1 ZINC000334754294 207021364 /nfs/dbraw/zinc/02/13/64/207021364.db2.gz ZLRWTIBRXZVMET-INIZCTEOSA-N -1 3 291.416 3.060 20 0 CGADHM CO[C@@H](C)CCC(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000360633844 381601403 /nfs/dbraw/zinc/60/14/03/381601403.db2.gz FUTCUJXQWHDSHI-QMMMGPOBSA-N -1 3 291.269 3.165 20 0 CGADHM CCOCc1nc(=O)c2c3c(sc2[n-]1)C[C@@H](CC)CC3 ZINC000361425907 381741457 /nfs/dbraw/zinc/74/14/57/381741457.db2.gz KDJGPXRHUPTJBC-VIFPVBQESA-N -1 3 292.404 3.448 20 0 CGADHM COc1cc(C(=O)N[C@H]2c3ccccc3C[C@@H]2C)ccc1[O-] ZINC000362390311 381971240 /nfs/dbraw/zinc/97/12/40/381971240.db2.gz HEFIXTJDXMGDOP-APPDUMDISA-N -1 3 297.354 3.064 20 0 CGADHM CC(=O)c1cc(C(=O)Nc2ccc(C)cc2[O-])c(C)nc1C ZINC000362722760 382108432 /nfs/dbraw/zinc/10/84/32/382108432.db2.gz HMCPEGCTLZUCCY-UHFFFAOYSA-N -1 3 298.342 3.167 20 0 CGADHM CCc1cc(C(=O)N2CCC[C@H](C)[C@H]2C)ccc1[O-] ZINC000362824857 382125315 /nfs/dbraw/zinc/12/53/15/382125315.db2.gz FQRLIBBEKKSWMK-NWDGAFQWSA-N -1 3 261.365 3.215 20 0 CGADHM CCc1cc(C(=O)Nc2cnc3onc(C)c3c2)ccc1[O-] ZINC000362686728 382097883 /nfs/dbraw/zinc/09/78/83/382097883.db2.gz VJYPAWNKMRDBHL-UHFFFAOYSA-N -1 3 297.314 3.052 20 0 CGADHM CC1(C)[C@@H]2CN(C(=O)c3cc([O-])c4ccccc4c3)C[C@@H]21 ZINC000280399493 542381304 /nfs/dbraw/zinc/38/13/04/542381304.db2.gz OBUNVYCLMMZARK-GASCZTMLSA-N -1 3 281.355 3.273 20 0 CGADHM CSCCON=C([O-])Nc1ccc(C)c(OC(C)C)c1 ZINC000281167724 195132332 /nfs/dbraw/zinc/13/23/32/195132332.db2.gz XFTCGKFBGPYYKX-UHFFFAOYSA-N -1 3 298.408 3.198 20 0 CGADHM CSCCO[N-]C(=O)Nc1ccc(C)c(OC(C)C)c1 ZINC000281167724 195132334 /nfs/dbraw/zinc/13/23/34/195132334.db2.gz XFTCGKFBGPYYKX-UHFFFAOYSA-N -1 3 298.408 3.198 20 0 CGADHM C[C@@H]([N-]C(=O)C(C)(F)F)c1c(F)cccc1Cl ZINC000289221055 197266983 /nfs/dbraw/zinc/26/69/83/197266983.db2.gz NDHDXMWVFFDEFN-ZCFIWIBFSA-N -1 3 265.662 3.312 20 0 CGADHM Cc1cc(CN[C@H](CC(=O)[O-])c2cccs2)cs1 ZINC000328557190 542444370 /nfs/dbraw/zinc/44/43/70/542444370.db2.gz BHCUBXAMVAPJNV-LLVKDONJSA-N -1 3 281.402 3.424 20 0 CGADHM Cc1cc(C(=O)Nc2ccc3c(c2)OCCCO3)ccc1[O-] ZINC000318547539 542438789 /nfs/dbraw/zinc/43/87/89/542438789.db2.gz LQMBBEKMYBRJOM-UHFFFAOYSA-N -1 3 299.326 3.114 20 0 CGADHM Cc1cc(C(=O)N2CCc3ccc(F)cc3C2)ccc1[O-] ZINC000354590274 220826220 /nfs/dbraw/zinc/82/62/20/220826220.db2.gz DPXKCEHQTZEGNH-UHFFFAOYSA-N -1 3 285.318 3.038 20 0 CGADHM CO[C@@H]1CCC[C@H](CC(=O)Nc2c(C)cccc2[O-])C1 ZINC000281238016 195162858 /nfs/dbraw/zinc/16/28/58/195162858.db2.gz PGFPJEWMELESSQ-QWHCGFSZSA-N -1 3 277.364 3.234 20 0 CGADHM O=C(NC1(C(F)F)CC1)c1cc([O-])c2ccccc2c1 ZINC000336484325 542477918 /nfs/dbraw/zinc/47/79/18/542477918.db2.gz MFDKAJPQEKYWQH-UHFFFAOYSA-N -1 3 277.270 3.073 20 0 CGADHM COc1cccc(-c2nc([C@@H]3CCC(F)(F)C3)no2)c1[O-] ZINC000281502156 195267405 /nfs/dbraw/zinc/26/74/05/195267405.db2.gz UMAFLPWROFXTLP-MRVPVSSYSA-N -1 3 296.273 3.354 20 0 CGADHM Cc1ccc2[n-]cc(C(=O)N3C[C@@H](C)CC3(C)C)c(=O)c2c1 ZINC000342065504 542496394 /nfs/dbraw/zinc/49/63/94/542496394.db2.gz RSPVPZNXDSAPOX-LBPRGKRZSA-N -1 3 298.386 3.097 20 0 CGADHM C[C@@H](Cc1nc2ccc([O-])cc2c(=O)[nH]1)c1ccccc1 ZINC000351849374 542552023 /nfs/dbraw/zinc/55/20/23/542552023.db2.gz GNXAUAURYROTCE-NSHDSACASA-N -1 3 280.327 3.387 20 0 CGADHM CC[C@@H](NC(=O)c1cc([O-])c2ccccc2c1)[C@H]1CCCO1 ZINC000355266472 542566670 /nfs/dbraw/zinc/56/66/70/542566670.db2.gz NGTKVIPJRSJKIO-NVXWUHKLSA-N -1 3 299.370 3.233 20 0 CGADHM O=c1ccnc(C=Cc2cc(Br)ccc2F)[n-]1 ZINC000742221095 572559220 /nfs/dbraw/zinc/55/92/20/572559220.db2.gz YFHCALXWURGLLG-DAFODLJHSA-N -1 3 295.111 3.254 20 0 CGADHM Cc1cc([O-])c2nc(/C=C/c3cncnc3)ccc2c1 ZINC000358660653 542577939 /nfs/dbraw/zinc/57/79/39/542577939.db2.gz LJJFOTXJFQWQHT-DUXPYHPUSA-N -1 3 263.300 3.209 20 0 CGADHM COc1ccc(C(=O)NC(C)(C)c2cccs2)c([O-])c1 ZINC000436548289 533319213 /nfs/dbraw/zinc/31/92/13/533319213.db2.gz QFNGJDYZKLVWKA-UHFFFAOYSA-N -1 3 291.372 3.127 20 0 CGADHM COc1cccc(C(=O)N[C@@H]2CCC[C@H](C(C)C)C2)c1[O-] ZINC000436595122 533416101 /nfs/dbraw/zinc/41/61/01/533416101.db2.gz KKXAWJWUOYZVDC-QWHCGFSZSA-N -1 3 291.391 3.345 20 0 CGADHM Cc1ccc(C(=O)N[C@H]2C[C@@H]2c2cccc(F)c2)c([O-])c1 ZINC000436531329 533602032 /nfs/dbraw/zinc/60/20/32/533602032.db2.gz HDUANWAJBPALLV-CABCVRRESA-N -1 3 285.318 3.126 20 0 CGADHM Cc1ccc(C(=O)N[C@H](C)CNc2ccccc2)c([O-])c1C ZINC000436953852 533589641 /nfs/dbraw/zinc/58/96/41/533589641.db2.gz CEOYZLVJERRNHR-CYBMUJFWSA-N -1 3 298.386 3.239 20 0 CGADHM COc1cc(C(=O)[N-]c2cc(C)c(F)cc2Cl)on1 ZINC000335995551 533556619 /nfs/dbraw/zinc/55/66/19/533556619.db2.gz IVECRBRBTMWKJI-UHFFFAOYSA-N -1 3 284.674 3.036 20 0 CGADHM COc1cc(C)cc(C(=O)Nc2ccc(C(C)=O)cc2)c1[O-] ZINC000171606944 533623019 /nfs/dbraw/zinc/62/30/19/533623019.db2.gz AMKNDCFMYXSXGY-UHFFFAOYSA-N -1 3 299.326 3.164 20 0 CGADHM C[C@@H](CN=c1[n-]cc(C(F)(F)F)s1)C1CC1 ZINC000381299616 542597094 /nfs/dbraw/zinc/59/70/94/542597094.db2.gz HTQCJPVTVAHAGQ-LURJTMIESA-N -1 3 250.289 3.042 20 0 CGADHM Cc1ccc(CN2C[C@H](C)C[C@@H](C(=O)[O-])C2)c(Cl)c1 ZINC000399073889 542619889 /nfs/dbraw/zinc/61/98/89/542619889.db2.gz RDPQEMIXFPRZMV-DGCLKSJQSA-N -1 3 281.783 3.191 20 0 CGADHM Cc1cc(CN(C)CCC(C)(C)C)oc1C(=O)[O-] ZINC000399728662 542620964 /nfs/dbraw/zinc/62/09/64/542620964.db2.gz PHVRXQSXHIYXHK-UHFFFAOYSA-N -1 3 253.342 3.154 20 0 CGADHM O=C(CC1CCCC1)Nc1n[n-]c(-c2ccccc2F)n1 ZINC000342168540 130357536 /nfs/dbraw/zinc/35/75/36/130357536.db2.gz DJGBBVHZBYKJJI-UHFFFAOYSA-N -1 3 288.326 3.130 20 0 CGADHM Cc1ccc(C(=O)N[C@@H]2CCC[C@H](C)C2)c([O-])c1C ZINC000048573266 392002896 /nfs/dbraw/zinc/00/28/96/392002896.db2.gz YCKASLGYJKYXAT-GXFFZTMASA-N -1 3 261.365 3.318 20 0 CGADHM CC(C)Oc1ccc(CCNC(=O)c2ccccc2[O-])cc1 ZINC000031293448 391963421 /nfs/dbraw/zinc/96/34/21/391963421.db2.gz IJQLUDACDJRVPH-UHFFFAOYSA-N -1 3 299.370 3.152 20 0 CGADHM O=C([O-])[C@@H](NC/C=C/c1ccccc1)c1ccccc1 ZINC000050510564 392064695 /nfs/dbraw/zinc/06/46/95/392064695.db2.gz AQYMZBKPSAJPJI-JCVNQNCUSA-N -1 3 267.328 3.115 20 0 CGADHM O=C(Cc1cccc(F)c1)N1CCCc2cccc([O-])c21 ZINC000063063807 392134603 /nfs/dbraw/zinc/13/46/03/392134603.db2.gz ZVXFFNILZZMJMK-UHFFFAOYSA-N -1 3 285.318 3.053 20 0 CGADHM Cc1ccc2nc(-c3cc(F)c(F)c(F)c3)[n-]c(=O)c2c1 ZINC000069579185 392174071 /nfs/dbraw/zinc/17/40/71/392174071.db2.gz BSBTXMQWFLPVBL-UHFFFAOYSA-N -1 3 290.244 3.316 20 0 CGADHM COc1ccc(C(=O)N2CCC[C@H](C(C)C)CC2)c([O-])c1 ZINC000071029117 392187151 /nfs/dbraw/zinc/18/71/51/392187151.db2.gz OZGQWMFNQNOGOE-ZDUSSCGKSA-N -1 3 291.391 3.299 20 0 CGADHM CC(F)(F)C(=O)[N-][C@@H]1CCSc2ccc(F)cc21 ZINC000284011127 392309369 /nfs/dbraw/zinc/30/93/69/392309369.db2.gz LEQPVEKZSSIRQG-SECBINFHSA-N -1 3 275.295 3.134 20 0 CGADHM O=C(CCCC1CCCC1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000361690532 392295448 /nfs/dbraw/zinc/29/54/48/392295448.db2.gz IOWVARSLGNBFLT-UHFFFAOYSA-N -1 3 299.378 3.166 20 0 CGADHM O=C(CCCC1CCCC1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000361690532 392295456 /nfs/dbraw/zinc/29/54/56/392295456.db2.gz IOWVARSLGNBFLT-UHFFFAOYSA-N -1 3 299.378 3.166 20 0 CGADHM CCO[N-]C(=O)[C@@H]1C[C@@H]1c1cccc2ccccc21 ZINC000107572104 392326140 /nfs/dbraw/zinc/32/61/40/392326140.db2.gz QULNUFYTQSUCRR-HUUCEWRRSA-N -1 3 255.317 3.011 20 0 CGADHM COc1ccc(NC(=O)c2cccc3cccnc32)c([O-])c1 ZINC000442700732 542665550 /nfs/dbraw/zinc/66/55/50/542665550.db2.gz IMQKMXXVUSCZBK-UHFFFAOYSA-N -1 3 294.310 3.201 20 0 CGADHM Cc1conc1[N-]C(=O)c1oc(-c2ccccc2)nc1C ZINC000123668598 392429461 /nfs/dbraw/zinc/42/94/61/392429461.db2.gz GTDGNVPAHSIVQM-UHFFFAOYSA-N -1 3 283.287 3.199 20 0 CGADHM O=[S@](CCCC1CCCC1)c1ccc([O-])cc1 ZINC000153682565 392525886 /nfs/dbraw/zinc/52/58/86/392525886.db2.gz RBDNAIZJECUCNA-KRWDZBQOSA-N -1 3 252.379 3.470 20 0 CGADHM CC[C@@H](C)CON=C([O-])Nc1nc2ccccc2s1 ZINC000291780898 392479943 /nfs/dbraw/zinc/47/99/43/392479943.db2.gz NTCIRUHGOPYUIG-SECBINFHSA-N -1 3 279.365 3.396 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)Nc1nc2ccccc2s1 ZINC000291780898 392479947 /nfs/dbraw/zinc/47/99/47/392479947.db2.gz NTCIRUHGOPYUIG-SECBINFHSA-N -1 3 279.365 3.396 20 0 CGADHM Cc1ccccc1[C@@H](C)CC(=O)[N-]OC/C=C/Cl ZINC000291853963 392493306 /nfs/dbraw/zinc/49/33/06/392493306.db2.gz OJAQJUQZCXBIRA-ZCRIDZFUSA-N -1 3 267.756 3.289 20 0 CGADHM CCOC(=O)c1ccc(NC(=O)[C@H](C)[C@H](C)CC)c([O-])c1 ZINC000506479005 392727145 /nfs/dbraw/zinc/72/71/45/392727145.db2.gz IBJVVEAVQOLVJK-GHMZBOCLSA-N -1 3 293.363 3.190 20 0 CGADHM [O-]c1ccc(F)c(CNC/C=C\c2ccccc2)c1F ZINC000511056806 392826607 /nfs/dbraw/zinc/82/66/07/392826607.db2.gz CJYGDWHPRVNDSC-DAXSKMNVSA-N -1 3 275.298 3.473 20 0 CGADHM C[C@@H]1CC2(CN1Cc1cccc([O-])c1Cl)CCOCC2 ZINC000648070926 392901964 /nfs/dbraw/zinc/90/19/64/392901964.db2.gz MZSBDBXAPDMRKT-GFCCVEGCSA-N -1 3 295.810 3.437 20 0 CGADHM O=C([N-]c1cc(F)c(F)c(F)c1)c1ncc(F)cc1F ZINC000192345933 392848026 /nfs/dbraw/zinc/84/80/26/392848026.db2.gz GBXZMILLMARIAF-UHFFFAOYSA-N -1 3 288.175 3.029 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N2Cc3ccccc3C3(CC3)C2)n1 ZINC000192792338 392860465 /nfs/dbraw/zinc/86/04/65/392860465.db2.gz KIVAOSDNEWJIIW-ZDUSSCGKSA-N -1 3 295.386 3.099 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2cc(C(F)(F)F)ccn2)c1 ZINC000507763259 542728555 /nfs/dbraw/zinc/72/85/55/542728555.db2.gz MWDZGQJRQTYDFM-UHFFFAOYSA-N -1 3 296.248 3.367 20 0 CGADHM CC(C)(C)OC(=O)CCCNCc1cccc([O-])c1Cl ZINC000339292044 392953466 /nfs/dbraw/zinc/95/34/66/392953466.db2.gz XESVCUJQDPCZMS-UHFFFAOYSA-N -1 3 299.798 3.257 20 0 CGADHM Cc1ccc([O-])c(CN2C[C@@H](C)Cc3ccccc32)n1 ZINC000211420868 392985316 /nfs/dbraw/zinc/98/53/16/392985316.db2.gz JBRYMFCNOVMFDI-LBPRGKRZSA-N -1 3 268.360 3.294 20 0 CGADHM CC[C@@H]1[C@H](C)CCN1C(=O)c1c[n-]c2ccc(C)cc2c1=O ZINC000342563921 393003400 /nfs/dbraw/zinc/00/34/00/393003400.db2.gz FSSHHIXDRBSAJB-MLGOLLRUSA-N -1 3 298.386 3.097 20 0 CGADHM CCC(CC)[N-]S(=O)(=O)c1oc2ccc(F)cc2c1C ZINC000471689679 393293269 /nfs/dbraw/zinc/29/32/69/393293269.db2.gz UWIQBKISTMMBIQ-UHFFFAOYSA-N -1 3 299.367 3.347 20 0 CGADHM Cc1ccc(C(=O)NC[C@H](C)CC(F)F)c([O-])c1C ZINC000648961385 393299908 /nfs/dbraw/zinc/29/99/08/393299908.db2.gz BJOMWDRELMZCCN-MRVPVSSYSA-N -1 3 271.307 3.030 20 0 CGADHM CCc1ccccc1NC(=O)c1ccc2[nH][n-]c(=O)c2c1 ZINC000646625972 393310405 /nfs/dbraw/zinc/31/04/05/393310405.db2.gz YLMFCNFONHBNHD-UHFFFAOYSA-N -1 3 281.315 3.083 20 0 CGADHM CC1(C)CCC[C@H]1[C@@H]1CCN(C(=O)c2csc(=O)[n-]2)C1 ZINC000649067939 393342709 /nfs/dbraw/zinc/34/27/09/393342709.db2.gz ZQPZOIXREQUZTM-MNOVXSKESA-N -1 3 294.420 3.137 20 0 CGADHM Cc1cccc(NC(=O)c2coc3c2C(=O)CCC3)c1[O-] ZINC000649069149 393343388 /nfs/dbraw/zinc/34/33/88/393343388.db2.gz KKHQJTWSTNZTTJ-UHFFFAOYSA-N -1 3 285.299 3.065 20 0 CGADHM O=C(N[C@H](C1CCC1)C1CCCCC1)c1csc(=O)[n-]1 ZINC000649111688 393347283 /nfs/dbraw/zinc/34/72/83/393347283.db2.gz BMTJPPMHZUVFSG-ZDUSSCGKSA-N -1 3 294.420 3.328 20 0 CGADHM CC[C@H](NC(=O)c1csc(=O)[n-]1)c1csc(C)c1 ZINC000649162286 393362544 /nfs/dbraw/zinc/36/25/44/393362544.db2.gz NEOCKYUECGYFNZ-VIFPVBQESA-N -1 3 282.390 3.100 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)c1scnc1C(C)C ZINC000649228886 393376849 /nfs/dbraw/zinc/37/68/49/393376849.db2.gz DOKKFDBCMSTKNN-UHFFFAOYSA-N -1 3 292.408 3.096 20 0 CGADHM CCc1nsc(Sc2n[n-]c(-c3ccccc3)n2)n1 ZINC000356502773 393464277 /nfs/dbraw/zinc/46/42/77/393464277.db2.gz HQGFEIVTJWPKOV-UHFFFAOYSA-N -1 3 289.389 3.037 20 0 CGADHM CCC[C@H](CC)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000488726688 393549678 /nfs/dbraw/zinc/54/96/78/393549678.db2.gz PAGFSEBRBVOTFG-JTQLQIEISA-N -1 3 293.791 3.336 20 0 CGADHM O=C(/C=C\c1cncc([O-])c1)Nc1ccc2ncsc2c1 ZINC000492479426 393742360 /nfs/dbraw/zinc/74/23/60/393742360.db2.gz ZLOGLZOGNIGMLO-RJRFIUFISA-N -1 3 297.339 3.049 20 0 CGADHM Cc1ccc(/C=C\C(=O)Nc2c(C)cccc2[O-])nc1 ZINC000492538659 393751090 /nfs/dbraw/zinc/75/10/90/393751090.db2.gz PJXXIVRREXHTLR-HJWRWDBZSA-N -1 3 268.316 3.056 20 0 CGADHM CC[C@H](C)Oc1ccccc1/C=C/C(=O)[N-]OCC(F)F ZINC000492581320 393757641 /nfs/dbraw/zinc/75/76/41/393757641.db2.gz LXOVPFAADSUEFU-FBOQAHMBSA-N -1 3 299.317 3.190 20 0 CGADHM O=S(=O)([N-]c1cccc2ccsc21)N1CCCCC1 ZINC000443468050 393759078 /nfs/dbraw/zinc/75/90/78/393759078.db2.gz VCNXGPZGFXMPCM-UHFFFAOYSA-N -1 3 296.417 3.044 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)/C=C/C2CCOCC2)c1[O-] ZINC000492286603 393714949 /nfs/dbraw/zinc/71/49/49/393714949.db2.gz JCCJJXPNBKJLFG-NSCUHMNNSA-N -1 3 295.766 3.275 20 0 CGADHM COc1cc(C(=O)NC[C@@H]2CCC[C@H](C)[C@@H]2C)ccc1[O-] ZINC000435931723 393715783 /nfs/dbraw/zinc/71/57/83/393715783.db2.gz ZGXWZLWYLNVSIZ-OBJOEFQTSA-N -1 3 291.391 3.203 20 0 CGADHM O=C(/C=C\c1ccnc2ccccc12)[N-]OC1CCCC1 ZINC000492327052 393720161 /nfs/dbraw/zinc/72/01/61/393720161.db2.gz YQAQPWFNQOUOJA-KTKRTIGZSA-N -1 3 282.343 3.238 20 0 CGADHM CCC(=O)c1cccc(NC(=O)C=Cc2cncc([O-])c2)c1 ZINC000492395930 393727653 /nfs/dbraw/zinc/72/76/53/393727653.db2.gz HYMPJMFSXXRMGL-SREVYHEPSA-N -1 3 296.326 3.032 20 0 CGADHM Cc1cc(C(=O)N[C@@H]2CC[C@H]3CCC[C@H]3C2)ccc1[O-] ZINC000500641550 393835135 /nfs/dbraw/zinc/83/51/35/393835135.db2.gz JQTFEDXHROODFH-VNHYZAJKSA-N -1 3 273.376 3.399 20 0 CGADHM Cc1ccc(F)c(S(=O)(=O)[N-][C@@H]2CC[C@H](C)C[C@H]2C)c1 ZINC000500100344 393817754 /nfs/dbraw/zinc/81/77/54/393817754.db2.gz SKAIZQFUBGEGDF-ZKYQVNSYSA-N -1 3 299.411 3.237 20 0 CGADHM CC(C)=CCSCC(=O)Nc1ccccc1[O-] ZINC000446122311 393849945 /nfs/dbraw/zinc/84/99/45/393849945.db2.gz PFMHKCKMCXWIKU-UHFFFAOYSA-N -1 3 251.351 3.030 20 0 CGADHM CC[C@H](C)C[C@H](C)NC(=O)Cc1ccc([O-])c(F)c1 ZINC000449967635 393952603 /nfs/dbraw/zinc/95/26/03/393952603.db2.gz LUPHCOQUYKLNSM-QWRGUYRKSA-N -1 3 267.344 3.015 20 0 CGADHM CC[C@H]1CCCC[C@H]1CNC(=O)Cc1ccc([O-])c(F)c1 ZINC000452423598 394059116 /nfs/dbraw/zinc/05/91/16/394059116.db2.gz POZSACGFNAKVPJ-KBPBESRZSA-N -1 3 293.382 3.406 20 0 CGADHM CC[C@@H]1CCC[C@@H]1CNC(=O)Cc1ccc([O-])c(F)c1 ZINC000452527063 394078868 /nfs/dbraw/zinc/07/88/68/394078868.db2.gz LFPVARAIPHWKEX-CHWSQXEVSA-N -1 3 279.355 3.016 20 0 CGADHM CC[C@@H]1C[C@H]1C(=O)Nc1c([O-])ccc(Br)c1C ZINC000452748578 394111439 /nfs/dbraw/zinc/11/14/39/394111439.db2.gz KHLWFGQFFHFESO-RKDXNWHRSA-N -1 3 298.180 3.448 20 0 CGADHM CCCN(CC(F)F)C(=O)c1cc(SC)ccc1[O-] ZINC000667673535 542914708 /nfs/dbraw/zinc/91/47/08/542914708.db2.gz DIGYKQCUWXPJRC-UHFFFAOYSA-N -1 3 289.347 3.231 20 0 CGADHM CSc1ccc([O-])c(C(=O)N2CCC3(CC3)CC2)c1 ZINC000668533117 543023965 /nfs/dbraw/zinc/02/39/65/543023965.db2.gz YPJSFLSVLBZAKV-UHFFFAOYSA-N -1 3 277.389 3.130 20 0 CGADHM CCN(C(=O)c1cc(SC)ccc1[O-])C1CCC1 ZINC000668952202 543077189 /nfs/dbraw/zinc/07/71/89/543077189.db2.gz BSJHBBYJCWROSX-UHFFFAOYSA-N -1 3 265.378 3.129 20 0 CGADHM O=C(c1cc([O-])ccc1C(F)(F)F)N1CCC[C@@H]2C[C@@H]21 ZINC000672126583 543198249 /nfs/dbraw/zinc/19/82/49/543198249.db2.gz JJNJZTUVZJRNEG-PELKAZGASA-N -1 3 285.265 3.036 20 0 CGADHM [O-]c1cccc(CN[C@@H](CO)C2CCCCC2)c1Cl ZINC000386034852 397688705 /nfs/dbraw/zinc/68/87/05/397688705.db2.gz RMSZGUNJYMSJDU-ZDUSSCGKSA-N -1 3 283.799 3.076 20 0 CGADHM Cc1csc(S(=O)(=O)[N-][C@H](C)c2ccsc2)c1 ZINC000649984531 397764902 /nfs/dbraw/zinc/76/49/02/397764902.db2.gz YECOYNLXWVTBHC-SECBINFHSA-N -1 3 287.431 3.158 20 0 CGADHM C[C@@H]1CC[C@H](C(=O)[O-])N1Cc1cccc(Cl)c1Cl ZINC000650501108 397859451 /nfs/dbraw/zinc/85/94/51/397859451.db2.gz NLLRMKLQFBJARK-LDYMZIIASA-N -1 3 288.174 3.431 20 0 CGADHM COc1cc(C(=O)N2CCCC[C@H]2CC(C)C)ccc1[O-] ZINC000276933955 286193914 /nfs/dbraw/zinc/19/39/14/286193914.db2.gz OSGZXTOZKBVDFZ-AWEZNQCLSA-N -1 3 291.391 3.442 20 0 CGADHM COc1ccc(C(=O)N(C)[C@@H]2CCC(C)(C)C2)c([O-])c1 ZINC000436915096 286271454 /nfs/dbraw/zinc/27/14/54/286271454.db2.gz OTZYCAVGYCFRDY-LLVKDONJSA-N -1 3 277.364 3.052 20 0 CGADHM CS[C@@H]1CCCCN(C(=O)c2ccc(C)cc2[O-])C1 ZINC000154322236 286691226 /nfs/dbraw/zinc/69/12/26/286691226.db2.gz GDIHMUANQHZTCC-GFCCVEGCSA-N -1 3 279.405 3.058 20 0 CGADHM CCCC1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000048959793 286914287 /nfs/dbraw/zinc/91/42/87/286914287.db2.gz QVZXDIBZGGHIPU-UHFFFAOYSA-N -1 3 287.450 3.385 20 0 CGADHM COc1cccc(C(=O)Nc2ccc(F)c(C)c2)c1[O-] ZINC000061120432 286957445 /nfs/dbraw/zinc/95/74/45/286957445.db2.gz BLGCMBNCPNCZPH-UHFFFAOYSA-N -1 3 275.279 3.101 20 0 CGADHM CC[C@H](NC(=O)c1cc(C)ccc1[O-])c1nccs1 ZINC000080305587 287064483 /nfs/dbraw/zinc/06/44/83/287064483.db2.gz QCQDRRBEBLVVLG-NSHDSACASA-N -1 3 276.361 3.038 20 0 CGADHM COc1csc(C(=O)[N-]c2c(F)cccc2F)c1 ZINC000080840647 287069036 /nfs/dbraw/zinc/06/90/36/287069036.db2.gz QPHVQXJKHUNTJL-UHFFFAOYSA-N -1 3 269.272 3.287 20 0 CGADHM Cc1ccc(NC(=O)c2occc2Br)c([O-])c1 ZINC000081710562 287076046 /nfs/dbraw/zinc/07/60/46/287076046.db2.gz NPGVOYDBKCRBHR-UHFFFAOYSA-N -1 3 296.120 3.308 20 0 CGADHM COc1cccc(CC(=O)Nc2cc(Cl)ccc2[O-])c1 ZINC000069693061 165055220 /nfs/dbraw/zinc/05/52/20/165055220.db2.gz OCXRCTHRLUIXNY-UHFFFAOYSA-N -1 3 291.734 3.235 20 0 CGADHM O=S(=O)([N-]CCCC1CCCC1)c1ccccc1F ZINC000071852837 165071380 /nfs/dbraw/zinc/07/13/80/165071380.db2.gz BRUFXGQIZDELQA-UHFFFAOYSA-N -1 3 285.384 3.074 20 0 CGADHM CC(C)(CNC(=O)c1cccc([O-])c1)c1ccccc1 ZINC000082265496 165168990 /nfs/dbraw/zinc/16/89/90/165168990.db2.gz PRFASCMLMJLNQE-UHFFFAOYSA-N -1 3 269.344 3.100 20 0 CGADHM CCOc1ccc(NCc2nc(C)ccc2[O-])cc1OC ZINC000091994010 165278182 /nfs/dbraw/zinc/27/81/82/165278182.db2.gz CEXVJNXMLNCZSE-UHFFFAOYSA-N -1 3 288.347 3.115 20 0 CGADHM Cc1ccc([O-])c(C(=O)N(C)[C@H](C)c2cccc(O)c2)c1 ZINC000092602254 287112911 /nfs/dbraw/zinc/11/29/11/287112911.db2.gz UEQUNAOSUUYSNB-GFCCVEGCSA-N -1 3 285.343 3.239 20 0 CGADHM Cc1cccc(-c2nc(COc3ccccc3)no2)c1[O-] ZINC000109037557 287127668 /nfs/dbraw/zinc/12/76/68/287127668.db2.gz ZMUKJKDRCNUJKW-UHFFFAOYSA-N -1 3 282.299 3.330 20 0 CGADHM Cc1ccc(Cc2noc(-c3ccccc3[O-])n2)cc1 ZINC000111688110 287136210 /nfs/dbraw/zinc/13/62/10/287136210.db2.gz QQMAWFVJNKUMHZ-UHFFFAOYSA-N -1 3 266.300 3.341 20 0 CGADHM Cc1cccc(OCCC(=O)Nc2ccc(C)cc2[O-])c1 ZINC000006453775 170202393 /nfs/dbraw/zinc/20/23/93/170202393.db2.gz WMYCNKBFJJXLGU-UHFFFAOYSA-N -1 3 285.343 3.417 20 0 CGADHM CCN(CCc1ccccc1)C(=O)c1ccccc1[O-] ZINC000124409597 287233021 /nfs/dbraw/zinc/23/30/21/287233021.db2.gz OIWUAIPWMAGURF-UHFFFAOYSA-N -1 3 269.344 3.097 20 0 CGADHM CCCCC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000007307956 170277281 /nfs/dbraw/zinc/27/72/81/170277281.db2.gz XBHAQTGBMYMCRW-UHFFFAOYSA-N -1 3 296.219 3.462 20 0 CGADHM O=C([N-]OCCCCCF)c1c(F)cccc1Cl ZINC000284484475 196066566 /nfs/dbraw/zinc/06/65/66/196066566.db2.gz RZXJALYPHGFTCW-UHFFFAOYSA-N -1 3 277.698 3.280 20 0 CGADHM CC(C)c1ccc(CNc2ccc3c(c2)C(=O)[N-]C3=O)cc1 ZINC000021302532 171301703 /nfs/dbraw/zinc/30/17/03/171301703.db2.gz NGOQABIHVZVQLH-UHFFFAOYSA-N -1 3 294.354 3.306 20 0 CGADHM COc1ccc(C(=O)N2CC[C@H]3CCCC[C@H]3C2)c([O-])c1 ZINC000035175097 172028367 /nfs/dbraw/zinc/02/83/67/172028367.db2.gz JXYYNWVQMHTWQO-OLZOCXBDSA-N -1 3 289.375 3.053 20 0 CGADHM COc1cccc(C(=O)N2CC[C@@H]3CCCC[C@H]3C2)c1[O-] ZINC000035175081 172028617 /nfs/dbraw/zinc/02/86/17/172028617.db2.gz SQURJMGNHTVWDN-STQMWFEESA-N -1 3 289.375 3.053 20 0 CGADHM O=C(c1ccccc1[O-])N1CC[C@@H]2CCCC[C@H]2C1 ZINC000035219431 172060501 /nfs/dbraw/zinc/06/05/01/172060501.db2.gz MEKDEGLWMYPAEO-STQMWFEESA-N -1 3 259.349 3.045 20 0 CGADHM O=C([O-])CC[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000043585505 175071580 /nfs/dbraw/zinc/07/15/80/175071580.db2.gz LKVCQALUDMFNOT-LBPRGKRZSA-N -1 3 281.783 3.417 20 0 CGADHM Cc1noc(Cl)c1CCC(=O)Nc1cccc([O-])c1F ZINC000129319611 287328539 /nfs/dbraw/zinc/32/85/39/287328539.db2.gz APPAKKULSCMMLK-UHFFFAOYSA-N -1 3 298.701 3.052 20 0 CGADHM O=C(CCSc1ccccn1)Nc1cccc([O-])c1F ZINC000129386513 287330131 /nfs/dbraw/zinc/33/01/31/287330131.db2.gz TZXQPNIBYRDLFZ-UHFFFAOYSA-N -1 3 292.335 3.047 20 0 CGADHM C[C@H](c1ccc(F)cc1F)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000312273062 416534272 /nfs/dbraw/zinc/53/42/72/416534272.db2.gz ANVWRGPSXVVEBB-FOGDFJRCSA-N -1 3 283.318 3.068 20 0 CGADHM CC[C@@H]1CN(C(=O)c2cc([O-])ccc2Cl)[C@@H](CC)CO1 ZINC000403799271 416550876 /nfs/dbraw/zinc/55/08/76/416550876.db2.gz DWFUSBYKXFFLHZ-CMPLNLGQSA-N -1 3 297.782 3.075 20 0 CGADHM C[C@H]1CCC[C@@H](c2nc3ccc([O-])cc3c(=O)[nH]2)C1 ZINC000679270262 543611206 /nfs/dbraw/zinc/61/12/06/543611206.db2.gz WJIRCWALOWGUOR-VHSXEESVSA-N -1 3 258.321 3.335 20 0 CGADHM CC[C@H](C)CCCCC(=O)Nc1nnc(SC)[n-]1 ZINC000680191307 543690122 /nfs/dbraw/zinc/69/01/22/543690122.db2.gz RDGIZSQUFSTRIM-VIFPVBQESA-N -1 3 270.402 3.072 20 0 CGADHM CC[C@H](C)CCCCC(=O)Nc1nc(SC)n[n-]1 ZINC000680191307 543690124 /nfs/dbraw/zinc/69/01/24/543690124.db2.gz RDGIZSQUFSTRIM-VIFPVBQESA-N -1 3 270.402 3.072 20 0 CGADHM CC[C@H](C)CCCCC(=O)Nc1n[n-]c(SC)n1 ZINC000680191307 543690126 /nfs/dbraw/zinc/69/01/26/543690126.db2.gz RDGIZSQUFSTRIM-VIFPVBQESA-N -1 3 270.402 3.072 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2ccccc2OC2CCC2)n1 ZINC000680320636 543695910 /nfs/dbraw/zinc/69/59/10/543695910.db2.gz ALZRPUFOXZIXJO-UHFFFAOYSA-N -1 3 298.342 3.279 20 0 CGADHM Cc1ccc([O-])c(C(=O)NC2(C)CCC(F)(F)CC2)c1 ZINC000680049364 543679967 /nfs/dbraw/zinc/67/99/67/543679967.db2.gz FQAWGKQNEIMXPW-UHFFFAOYSA-N -1 3 283.318 3.398 20 0 CGADHM O=C([N-]c1cnoc1)c1scnc1C1CCCC1 ZINC000680533907 543717376 /nfs/dbraw/zinc/71/73/76/543717376.db2.gz HXMKIYKUNGRRAQ-UHFFFAOYSA-N -1 3 263.322 3.041 20 0 CGADHM CCOc1nc(C(=O)[N-]c2nc(C(C)(C)C)cs2)co1 ZINC000680370147 543704839 /nfs/dbraw/zinc/70/48/39/543704839.db2.gz XSSMFRZCZPWQGH-UHFFFAOYSA-N -1 3 295.364 3.080 20 0 CGADHM O=C(Cc1cc(F)c(F)cc1F)Nc1cc(F)ccc1[O-] ZINC000131240555 287374242 /nfs/dbraw/zinc/37/42/42/287374242.db2.gz YGPVHYCPQSEYSU-UHFFFAOYSA-N -1 3 299.223 3.130 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CC[C@H](C(C)(C)C)C2)c1 ZINC000131409210 287379170 /nfs/dbraw/zinc/37/91/70/287379170.db2.gz CYDUYYDHLKRCSI-LBPRGKRZSA-N -1 3 261.365 3.209 20 0 CGADHM O=C(Nc1cccc2ccncc21)c1cccc([O-])c1 ZINC000131543830 287383301 /nfs/dbraw/zinc/38/33/01/287383301.db2.gz IXZBBKKRUWWMHM-UHFFFAOYSA-N -1 3 264.284 3.193 20 0 CGADHM CSc1ccccc1[N-]C(=O)c1nccs1 ZINC000683564761 543925695 /nfs/dbraw/zinc/92/56/95/543925695.db2.gz NXNFTYHGBIWFDH-UHFFFAOYSA-N -1 3 250.348 3.117 20 0 CGADHM COc1ccccc1/C=C\CNCc1cccc(C(=O)[O-])c1 ZINC000683170596 543900884 /nfs/dbraw/zinc/90/08/84/543900884.db2.gz HKTHJICTRDLFGQ-UITAMQMPSA-N -1 3 297.354 3.196 20 0 CGADHM [O-]c1cccnc1CNCc1c(Cl)ccc2cccnc21 ZINC000684416041 543997238 /nfs/dbraw/zinc/99/72/38/543997238.db2.gz IHNOATUTRNTIDK-UHFFFAOYSA-N -1 3 299.761 3.279 20 0 CGADHM CC(=O)c1ccc(-c2nc(=O)c3c(C)csc3[n-]2)s1 ZINC000134472954 287445064 /nfs/dbraw/zinc/44/50/64/287445064.db2.gz PZHMGKNSUSWGBM-UHFFFAOYSA-N -1 3 290.369 3.224 20 0 CGADHM CCCO[C@@H]1CCCN([C@H](C)c2ccc(C(=O)[O-])o2)CC1 ZINC000652411233 418965357 /nfs/dbraw/zinc/96/53/57/418965357.db2.gz SEZOISVFBPZSHI-CHWSQXEVSA-N -1 3 295.379 3.320 20 0 CGADHM Cc1ccnc(CN(Cc2ccccc2)C[C@@H](C)C(=O)[O-])c1 ZINC000652456481 418970412 /nfs/dbraw/zinc/97/04/12/418970412.db2.gz KBAWWNQCJBWAPR-OAHLLOKOSA-N -1 3 298.386 3.113 20 0 CGADHM Cc1cccc(Cl)c1CN(CCC(=O)[O-])CC1CC1 ZINC000652466926 418971678 /nfs/dbraw/zinc/97/16/78/418971678.db2.gz CVVOYPVGRSAHCX-UHFFFAOYSA-N -1 3 281.783 3.335 20 0 CGADHM Cc1cc([C@@H](C)N2CCC[C@@H](C)C2)oc1C(=O)[O-] ZINC000652366662 418958110 /nfs/dbraw/zinc/95/81/10/418958110.db2.gz HBGHMXBPVWWVNZ-MWLCHTKSSA-N -1 3 251.326 3.079 20 0 CGADHM CCCN(C)Cc1nc2ccccc2c(C)c1C(=O)[O-] ZINC000652386659 418959877 /nfs/dbraw/zinc/95/98/77/418959877.db2.gz BIBDOUXZTQEPRS-UHFFFAOYSA-N -1 3 272.348 3.083 20 0 CGADHM Cc1cc(CN2CCC[C@@H](C3CCC3)C2)oc1C(=O)[O-] ZINC000659802791 418994908 /nfs/dbraw/zinc/99/49/08/418994908.db2.gz WRIOSYBBXGOXSM-CYBMUJFWSA-N -1 3 277.364 3.298 20 0 CGADHM CC(C)(C)CN(CC(=O)[O-])Cc1cc(Cl)ccc1F ZINC000665350584 419114795 /nfs/dbraw/zinc/11/47/95/419114795.db2.gz ZSXPPABCXMVPNC-UHFFFAOYSA-N -1 3 287.762 3.412 20 0 CGADHM O=C([O-])CN(Cc1cscc1C(F)(F)F)C1CCC1 ZINC000656100922 419141268 /nfs/dbraw/zinc/14/12/68/419141268.db2.gz FPPOUGOXTMESSE-UHFFFAOYSA-N -1 3 293.310 3.206 20 0 CGADHM CCc1nsc([N-][C@@H](C[C@H]2CCCO2)C(F)(F)F)n1 ZINC000656224111 419153913 /nfs/dbraw/zinc/15/39/13/419153913.db2.gz CVVLGGMDCMVZHC-SFYZADRCSA-N -1 3 295.330 3.012 20 0 CGADHM Cc1ccc([O-])c(CN2C[C@@H](C)OC3(CCCCC3)C2)n1 ZINC000656280775 419166135 /nfs/dbraw/zinc/16/61/35/419166135.db2.gz JXNVZDKNJRZCNO-CQSZACIVSA-N -1 3 290.407 3.019 20 0 CGADHM COc1ccc(C(C)C)cc1CN([C@H](C)C(=O)[O-])C1CC1 ZINC000655929681 419127324 /nfs/dbraw/zinc/12/73/24/419127324.db2.gz VJRQLRHOQQWYHV-GFCCVEGCSA-N -1 3 291.391 3.256 20 0 CGADHM CO[C@@H](CN(C)Cc1ccc(C(=O)[O-])cc1)C1CCCC1 ZINC000656756968 419209779 /nfs/dbraw/zinc/20/97/79/419209779.db2.gz POQRGHXKQLLXNZ-INIZCTEOSA-N -1 3 291.391 3.022 20 0 CGADHM CC(C)c1ccc2c(c1)CN(CC1(C(=O)[O-])CC1)CC2 ZINC000656757940 419210333 /nfs/dbraw/zinc/21/03/33/419210333.db2.gz DDMYCDZYMMEOBP-UHFFFAOYSA-N -1 3 273.376 3.033 20 0 CGADHM O=C([O-])c1cc(CN2CCC(C3CCC3)CC2)cs1 ZINC000656759453 419210557 /nfs/dbraw/zinc/21/05/57/419210557.db2.gz GTGHSFUSAJPNHM-UHFFFAOYSA-N -1 3 279.405 3.458 20 0 CGADHM Cc1ccc(-c2noc(-c3cc(-c4ccco4)n[n-]3)n2)cn1 ZINC000355966480 228069689 /nfs/dbraw/zinc/06/96/89/228069689.db2.gz XNDOJWPPVXCMIM-UHFFFAOYSA-N -1 3 293.286 3.090 20 0 CGADHM Cc1ccc(-c2noc(-c3cc(-c4ccco4)[n-]n3)n2)cn1 ZINC000355966480 228069691 /nfs/dbraw/zinc/06/96/91/228069691.db2.gz XNDOJWPPVXCMIM-UHFFFAOYSA-N -1 3 293.286 3.090 20 0 CGADHM Cc1cc2cc(NC(=O)c3cccc([O-])c3)ccc2[nH]1 ZINC000181948510 287541770 /nfs/dbraw/zinc/54/17/70/287541770.db2.gz FFIFHOLVQNINRJ-UHFFFAOYSA-N -1 3 266.300 3.434 20 0 CGADHM [O-]c1ccccc1-c1nc(COc2ccc(F)cc2)no1 ZINC000184879982 287549102 /nfs/dbraw/zinc/54/91/02/287549102.db2.gz CBSAEZYMLIRIFI-UHFFFAOYSA-N -1 3 286.262 3.160 20 0 CGADHM Cc1cnc(-c2nc(=O)c3c4c(sc3[n-]2)CCCC4)cn1 ZINC000663220119 419522745 /nfs/dbraw/zinc/52/27/45/419522745.db2.gz XPEVKMUMLKZWNI-UHFFFAOYSA-N -1 3 298.371 3.041 20 0 CGADHM CCCn1nccc1C=Cc1cc(=O)[n-]c(C(C)(C)C)n1 ZINC000663230623 419524156 /nfs/dbraw/zinc/52/41/56/419524156.db2.gz WSEGWTMKIGAYKW-SREVYHEPSA-N -1 3 286.379 3.257 20 0 CGADHM Cn1c(=O)[n-]nc1SC[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000663949110 419772665 /nfs/dbraw/zinc/77/26/65/419772665.db2.gz OJQIFWPSMZFNOC-DGCLKSJQSA-N -1 3 289.404 3.197 20 0 CGADHM C[C@H](CCNC(=O)c1ccc(O)cc1[O-])c1ccccc1 ZINC000226295639 287634289 /nfs/dbraw/zinc/63/42/89/287634289.db2.gz ICJWPNNKZVMZEP-GFCCVEGCSA-N -1 3 285.343 3.021 20 0 CGADHM CCC1(C)CCN(C(=O)c2ccc([O-])c(C)c2)CC1 ZINC000227024757 287636809 /nfs/dbraw/zinc/63/68/09/287636809.db2.gz OWORLNOZOZJQII-UHFFFAOYSA-N -1 3 261.365 3.353 20 0 CGADHM COc1c(C)cc(C(=O)Nc2cccc([O-])c2F)cc1C ZINC000180517635 260105056 /nfs/dbraw/zinc/10/50/56/260105056.db2.gz HCWYFTMHHBUNLK-UHFFFAOYSA-N -1 3 289.306 3.409 20 0 CGADHM COc1cccc(C(=O)N[C@@H](C)c2cc(C)oc2C)c1[O-] ZINC000044731489 270037928 /nfs/dbraw/zinc/03/79/28/270037928.db2.gz CDDABHPAAOKTCP-JTQLQIEISA-N -1 3 289.331 3.102 20 0 CGADHM Cc1ccc2c(c1)C(=O)N(C)[C@H](c1cc([O-])cc(F)c1)N2 ZINC000184610240 270059361 /nfs/dbraw/zinc/05/93/61/270059361.db2.gz ZNZVOCQEJMICNU-OAHLLOKOSA-N -1 3 286.306 3.036 20 0 CGADHM O=C(CSc1ccc(Cl)cc1)Nc1ncccc1[O-] ZINC000194125767 270081170 /nfs/dbraw/zinc/08/11/70/270081170.db2.gz VLSITZFHJKKTLV-UHFFFAOYSA-N -1 3 294.763 3.171 20 0 CGADHM Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)[C@H]2C)c([O-])c1 ZINC000229426980 270088122 /nfs/dbraw/zinc/08/81/22/270088122.db2.gz XVYRRARHFGIVFK-JHJVBQTASA-N -1 3 261.365 3.207 20 0 CGADHM COc1ccc([O-])c(-c2nc(Cc3ccc(C)cc3)no2)c1 ZINC000315663333 270092539 /nfs/dbraw/zinc/09/25/39/270092539.db2.gz JJQYZMZZSROPRO-UHFFFAOYSA-N -1 3 296.326 3.350 20 0 CGADHM COc1cccc(Cc2noc(-c3cccc(C)c3[O-])n2)c1 ZINC000315695565 270092561 /nfs/dbraw/zinc/09/25/61/270092561.db2.gz OAWLPVHQFKKUFJ-UHFFFAOYSA-N -1 3 296.326 3.350 20 0 CGADHM [O-]c1ccc(F)c(CNc2ccc(F)cc2)c1F ZINC000351816115 270095531 /nfs/dbraw/zinc/09/55/31/270095531.db2.gz OTFYHVMSZSVAOY-UHFFFAOYSA-N -1 3 253.223 3.422 20 0 CGADHM CC1(C[N-]S(=O)(=O)c2ccc(Cl)s2)CCCC1 ZINC000521296180 270101696 /nfs/dbraw/zinc/10/16/96/270101696.db2.gz BTCBJVWMJXSHGG-UHFFFAOYSA-N -1 3 293.841 3.260 20 0 CGADHM CC[C@@H](Nc1ccccc1)C(=O)Nc1ccccc1[O-] ZINC000523224977 270108111 /nfs/dbraw/zinc/10/81/11/270108111.db2.gz IEPSORQOBRUSLF-CYBMUJFWSA-N -1 3 270.332 3.221 20 0 CGADHM CCCN(C(=O)c1cc([O-])ccc1Cl)C(C)C ZINC000233027750 287647157 /nfs/dbraw/zinc/64/71/57/287647157.db2.gz IRHJEMCALQJLIM-UHFFFAOYSA-N -1 3 255.745 3.306 20 0 CGADHM c1cc(-c2noc([C@@H]3CCCC34CC4)n2)cc2n[n-]nc12 ZINC000528193036 270156862 /nfs/dbraw/zinc/15/68/62/270156862.db2.gz JEXCFKKYANYFPX-JTQLQIEISA-N -1 3 281.319 3.056 20 0 CGADHM CCc1ccc(-c2nc([C@H]3CC[C@H](C)O3)no2)c([O-])c1 ZINC000528235925 270159032 /nfs/dbraw/zinc/15/90/32/270159032.db2.gz LWZIZGIKYAAGOB-TVQRCGJNSA-N -1 3 274.320 3.245 20 0 CGADHM CCc1ccc([O-])c(-c2nc([C@H]3CC[C@@H](C)O3)no2)c1 ZINC000528234229 270159048 /nfs/dbraw/zinc/15/90/48/270159048.db2.gz IBDLOUBDDXXEME-NOZJJQNGSA-N -1 3 274.320 3.245 20 0 CGADHM O=C([N-]OCc1ccc(F)cc1)[C@@H]1C[C@H]1c1ccsc1 ZINC000529032041 270177023 /nfs/dbraw/zinc/17/70/23/270177023.db2.gz MZYKGJMUDMWRPM-UONOGXRCSA-N -1 3 291.347 3.239 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)[C@@H](C)C2CC2)c1-c1ccc(C)cc1 ZINC000530272781 270198261 /nfs/dbraw/zinc/19/82/61/270198261.db2.gz NZEJZBQURFQBDN-NSHDSACASA-N -1 3 283.375 3.100 20 0 CGADHM CCc1cccc(C(=O)N2CC[C@@](C)(CC)C2)c1[O-] ZINC000532344170 270215448 /nfs/dbraw/zinc/21/54/48/270215448.db2.gz GTBHZWXAODQQHT-MRXNPFEDSA-N -1 3 261.365 3.217 20 0 CGADHM O=C(/C=C\c1ccc(F)cc1)Nc1cccc([O-])c1F ZINC000255412508 287866244 /nfs/dbraw/zinc/86/62/44/287866244.db2.gz KGYFDWVEZWEPMF-TWGQIWQCSA-N -1 3 275.254 3.322 20 0 CGADHM COc1ccc(C(=O)N2CCC[C@H]2c2ccccc2)c([O-])c1 ZINC000123719968 277400927 /nfs/dbraw/zinc/40/09/27/277400927.db2.gz NLIZRXQKIFRJJK-INIZCTEOSA-N -1 3 297.354 3.378 20 0 CGADHM COc1ccccc1CCNCc1cccc([O-])c1Cl ZINC000392859257 287996519 /nfs/dbraw/zinc/99/65/19/287996519.db2.gz JFMLLSHYLKGROH-UHFFFAOYSA-N -1 3 291.778 3.387 20 0 CGADHM C[C@H]1CCN(C(=O)COC(C)(C)C)c2c([O-])cccc21 ZINC000186286184 278358039 /nfs/dbraw/zinc/35/80/39/278358039.db2.gz WAVSUTYPXCZXBK-NSHDSACASA-N -1 3 277.364 3.048 20 0 CGADHM C[C@@H]1CCN(C(=O)c2ccnc(F)c2)c2c([O-])cccc21 ZINC000186339135 278543071 /nfs/dbraw/zinc/54/30/71/278543071.db2.gz CGWCTDQGEMFCTQ-SNVBAGLBSA-N -1 3 286.306 3.080 20 0 CGADHM CN(CCCC(=O)[O-])Cc1cc(C(F)(F)F)ccc1F ZINC000414641271 288059543 /nfs/dbraw/zinc/05/95/43/288059543.db2.gz TVUVVHJVCDKBKE-UHFFFAOYSA-N -1 3 293.260 3.141 20 0 CGADHM Cc1cc2cc(C(=O)[N-]c3nncs3)oc2cc1C ZINC000079631919 278760564 /nfs/dbraw/zinc/76/05/64/278760564.db2.gz LBQCYPXDBGCASS-UHFFFAOYSA-N -1 3 273.317 3.153 20 0 CGADHM CCC[C@H]1[C@@H](C)CCCN1C(=O)c1ccc(O)cc1[O-] ZINC000175290877 278962586 /nfs/dbraw/zinc/96/25/86/278962586.db2.gz DCLVVRMNWCUDPF-FZMZJTMJSA-N -1 3 277.364 3.139 20 0 CGADHM Cc1csc2nc(C)nc(NCc3ncccc3[O-])c12 ZINC000359893523 279049404 /nfs/dbraw/zinc/04/94/04/279049404.db2.gz BHIVHBWKSRXLCU-UHFFFAOYSA-N -1 3 286.360 3.021 20 0 CGADHM COc1ccc([O-])c(C(=O)NC[C@@H](C)c2cccc(C)c2)c1 ZINC000525485319 288146715 /nfs/dbraw/zinc/14/67/15/288146715.db2.gz CIKPIIYUSLTBAE-CYBMUJFWSA-N -1 3 299.370 3.243 20 0 CGADHM C[C@H]1CN(C(=O)c2cccc([O-])c2)c2ccccc21 ZINC000182056146 279822096 /nfs/dbraw/zinc/82/20/96/279822096.db2.gz NNTFYFPWVIPPIO-NSHDSACASA-N -1 3 253.301 3.156 20 0 CGADHM C[C@H]1C[C@H]1CC(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000487199811 280019247 /nfs/dbraw/zinc/01/92/47/280019247.db2.gz NPMHDZLSVHFJCI-WOPDTQHZSA-N -1 3 259.349 3.279 20 0 CGADHM [O-]c1ccc(-c2noc([C@H]3[C@@H]4CCCC[C@@H]43)n2)cc1 ZINC000249900749 280451729 /nfs/dbraw/zinc/45/17/29/280451729.db2.gz HAJQQGBSKKFQGC-ITGUQSILSA-N -1 3 256.305 3.346 20 0 CGADHM CC(C)[C@H]1N(C(=O)c2ccccc2[O-])CC12CCCC2 ZINC000457161908 280470572 /nfs/dbraw/zinc/47/05/72/280470572.db2.gz JJIOMEVKURGODS-OAHLLOKOSA-N -1 3 273.376 3.433 20 0 CGADHM CC(C)c1ccccc1S(=O)(=O)[N-][C@@H](C)C(F)(F)F ZINC000341667019 280648358 /nfs/dbraw/zinc/64/83/58/280648358.db2.gz RCPLYUBDPMIVGN-VIFPVBQESA-N -1 3 295.326 3.039 20 0 CGADHM C[C@H]1CC(C(=O)[O-])C[C@H](C)N1Cc1ccc(Cl)cc1 ZINC000530174022 288293051 /nfs/dbraw/zinc/29/30/51/288293051.db2.gz HQVBHTWCKLBFBR-QWRGUYRKSA-N -1 3 281.783 3.414 20 0 CGADHM Cc1cccc(-c2noc(-c3ccc([O-])cc3)n2)c1 ZINC000045894280 281187043 /nfs/dbraw/zinc/18/70/43/281187043.db2.gz ADBDLXJPNDRUHS-UHFFFAOYSA-N -1 3 252.273 3.418 20 0 CGADHM Cc1ccccc1[C@@H]1CCN(C(=O)c2cccc([O-])c2)C1 ZINC000272817360 281365072 /nfs/dbraw/zinc/36/50/72/281365072.db2.gz ODTGRHMTXIVCIW-OAHLLOKOSA-N -1 3 281.355 3.330 20 0 CGADHM CCc1ccc(C(=O)N2CC3(CCC3)[C@@H]2C2CC2)c([O-])c1 ZINC000291974294 281394332 /nfs/dbraw/zinc/39/43/32/281394332.db2.gz UDZFJKBQNDMLBC-INIZCTEOSA-N -1 3 285.387 3.359 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CC[C@H](C(C)C)C2)c1 ZINC000531521315 288336942 /nfs/dbraw/zinc/33/69/42/288336942.db2.gz OIHQDIHBGSVWBQ-ZDUSSCGKSA-N -1 3 261.365 3.073 20 0 CGADHM Cc1ccc(C(=O)N2CCC[C@@H]2c2ccccn2)c([O-])c1C ZINC000536689183 288497441 /nfs/dbraw/zinc/49/74/41/288497441.db2.gz JVGLBQDCHOSYRJ-MRXNPFEDSA-N -1 3 296.370 3.381 20 0 CGADHM CCc1cccc(C(=O)Nc2ccc3nccnc3c2)c1[O-] ZINC000539844271 288634810 /nfs/dbraw/zinc/63/48/10/288634810.db2.gz NGUDZFRAGKCUQN-UHFFFAOYSA-N -1 3 293.326 3.150 20 0 CGADHM CC[C@@H]1C[C@H](CC(=O)Nc2cccc([O-])c2F)CCO1 ZINC000541993615 288730442 /nfs/dbraw/zinc/73/04/42/288730442.db2.gz MOPKGSSGGSCQOA-GHMZBOCLSA-N -1 3 281.327 3.065 20 0 CGADHM O=C(Nc1ncccc1[O-])c1coc(C2CCCCC2)n1 ZINC000548605764 289013076 /nfs/dbraw/zinc/01/30/76/289013076.db2.gz JKZBWELWFJCOEW-UHFFFAOYSA-N -1 3 287.319 3.075 20 0 CGADHM Cc1cccnc1C(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000274392922 292715935 /nfs/dbraw/zinc/71/59/35/292715935.db2.gz PZNRYLJNNSBXFI-LLVKDONJSA-N -1 3 282.343 3.250 20 0 CGADHM CC(=O)c1cccc(NC(=O)C2(c3ccccc3)CC2)c1[O-] ZINC000552288409 289178894 /nfs/dbraw/zinc/17/88/94/289178894.db2.gz UUUMPNQDNKGQNW-UHFFFAOYSA-N -1 3 295.338 3.265 20 0 CGADHM Cc1noc(C2CC2)c1[N-]C(=O)c1nc(C2CC2)oc1C ZINC000552413421 289187650 /nfs/dbraw/zinc/18/76/50/289187650.db2.gz CTHGIXZCJIBYJE-UHFFFAOYSA-N -1 3 287.319 3.287 20 0 CGADHM CC(C)OCCCC(=O)Nc1c([O-])cccc1Cl ZINC000552779837 289198330 /nfs/dbraw/zinc/19/83/30/289198330.db2.gz IUHALLKEUYWAQL-UHFFFAOYSA-N -1 3 271.744 3.189 20 0 CGADHM CC[C@@H]1C[C@@H](C(=O)Nc2c([O-])cccc2Cl)CCO1 ZINC000552779903 289198454 /nfs/dbraw/zinc/19/84/54/289198454.db2.gz MJIICALYSHRABM-VHSXEESVSA-N -1 3 283.755 3.189 20 0 CGADHM CCSc1cccc(C(=O)N=c2cc3ccccn3[n-]2)c1 ZINC000553000326 289205217 /nfs/dbraw/zinc/20/52/17/289205217.db2.gz AUZPVTJOZZILLO-UHFFFAOYSA-N -1 3 297.383 3.121 20 0 CGADHM CCc1cc(C(=O)N[C@H]2CCC[C@@H](SC)C2)ccc1[O-] ZINC000553129242 289209870 /nfs/dbraw/zinc/20/98/70/289209870.db2.gz UJCNCQDXEUKFEO-UONOGXRCSA-N -1 3 293.432 3.359 20 0 CGADHM C[C@H]1CC[C@@H]1NC(=O)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000553731948 289237388 /nfs/dbraw/zinc/23/73/88/289237388.db2.gz FKBDJYPRYOFBBB-CBAPKCEASA-N -1 3 295.795 3.320 20 0 CGADHM CCCCN(CCCC)C(=O)N=c1cc2ccccn2[n-]1 ZINC000558463915 289497996 /nfs/dbraw/zinc/49/79/96/289497996.db2.gz BWHUBGMWUHLEKY-UHFFFAOYSA-N -1 3 288.395 3.190 20 0 CGADHM C[C@@H](CCC(C)(C)C)C(=O)N=c1cc2ccccn2[n-]1 ZINC000561154657 289626900 /nfs/dbraw/zinc/62/69/00/289626900.db2.gz QOOGYOCQIQZBIX-LBPRGKRZSA-N -1 3 273.380 3.157 20 0 CGADHM Cc1nc([N-]C(=O)c2nc3cccnc3s2)sc1C ZINC000338173433 293338127 /nfs/dbraw/zinc/33/81/27/293338127.db2.gz GOLPIIFDPUQOGV-UHFFFAOYSA-N -1 3 290.373 3.017 20 0 CGADHM COc1cccc(C(=O)N2CCc3ccccc3[C@@H]2C)c1[O-] ZINC000106684076 295286711 /nfs/dbraw/zinc/28/67/11/295286711.db2.gz LJQBDVXIZRUBMJ-LBPRGKRZSA-N -1 3 297.354 3.160 20 0 CGADHM C[C@@H]1C[C@@H]1c1ccc(CN(CC2(C(=O)[O-])CC2)C2CC2)o1 ZINC000518546299 297310990 /nfs/dbraw/zinc/31/09/90/297310990.db2.gz DOTFEDSUQKPDOD-RISCZKNCSA-N -1 3 289.375 3.232 20 0 CGADHM CSc1ccc([C@@H](C)NCc2ncccc2[O-])cc1 ZINC000580127207 327704881 /nfs/dbraw/zinc/70/48/81/327704881.db2.gz BNXZJHKAFHFDMG-LLVKDONJSA-N -1 3 274.389 3.360 20 0 CGADHM CCc1cccc(C(=O)N2CC[C@@H](C)[C@@H](C)C2)c1[O-] ZINC000153754428 321726233 /nfs/dbraw/zinc/72/62/33/321726233.db2.gz FQLXSRMVAIQHTB-NEPJUHHUSA-N -1 3 261.365 3.073 20 0 CGADHM CC(=O)c1csc(C(=O)[N-]c2c(C)noc2C2CC2)c1 ZINC000159056282 321827924 /nfs/dbraw/zinc/82/79/24/321827924.db2.gz QBUXVZGNIFZMIH-UHFFFAOYSA-N -1 3 290.344 3.377 20 0 CGADHM C[C@H](c1ccc(C(=O)[O-])o1)N1CCSC2(CCC2)CC1 ZINC000563976926 322017117 /nfs/dbraw/zinc/01/71/17/322017117.db2.gz SDYFKRFHCGNTHD-LLVKDONJSA-N -1 3 295.404 3.400 20 0 CGADHM C[C@@H]1C[C@@]1(NCc1ncccc1[O-])c1ccc(Cl)cc1 ZINC000564004936 322017908 /nfs/dbraw/zinc/01/79/08/322017908.db2.gz MLTPMWSWROLDOB-BZNIZROVSA-N -1 3 288.778 3.466 20 0 CGADHM C[C@H](NCc1ncccc1[O-])c1ccc(OC(F)F)cc1 ZINC000564299278 322025901 /nfs/dbraw/zinc/02/59/01/322025901.db2.gz TZJIETCYTQSNHL-JTQLQIEISA-N -1 3 294.301 3.239 20 0 CGADHM O=C([O-])c1cnoc1CN1CCCC2(C1)CCCCCC2 ZINC000565106037 322061191 /nfs/dbraw/zinc/06/11/91/322061191.db2.gz QNABCZSAXQXFHW-UHFFFAOYSA-N -1 3 292.379 3.309 20 0 CGADHM Cc1cc([C@@H](C)N2CC[C@@H](OCC(C)C)C2)oc1C(=O)[O-] ZINC000565426594 322077363 /nfs/dbraw/zinc/07/73/63/322077363.db2.gz LWOCSPUAHBFVLD-CHWSQXEVSA-N -1 3 295.379 3.094 20 0 CGADHM CC(C)[C@H]1CN(Cc2ccsc2C(=O)[O-])CCS1 ZINC000566015332 322100874 /nfs/dbraw/zinc/10/08/74/322100874.db2.gz RQLNPEMOWSUXJI-LLVKDONJSA-N -1 3 285.434 3.020 20 0 CGADHM CC(C)C[C@H](C(=O)[O-])N(C)Cc1ccc(F)cc1Cl ZINC000566358299 322117665 /nfs/dbraw/zinc/11/76/65/322117665.db2.gz GDCFHOYNSLQLMV-CYBMUJFWSA-N -1 3 287.762 3.410 20 0 CGADHM O=C([O-])CC1CCN([C@H]2CCCc3ccc(F)cc32)CC1 ZINC000567054859 322148450 /nfs/dbraw/zinc/14/84/50/322148450.db2.gz BLVHOIZYWOZNLX-INIZCTEOSA-N -1 3 291.366 3.390 20 0 CGADHM CCc1cccc(-c2nc([C@H]3CCOC[C@@H]3C)no2)c1[O-] ZINC000567111676 322150799 /nfs/dbraw/zinc/15/07/99/322150799.db2.gz BUYYUTGGYXQGHN-JQWIXIFHSA-N -1 3 288.347 3.145 20 0 CGADHM Cc1oc([C@@H](C)N2CC(C)(C)C[C@@H]2C)cc1C(=O)[O-] ZINC000568062600 322191068 /nfs/dbraw/zinc/19/10/68/322191068.db2.gz JBXJBGNFIADXLS-VHSXEESVSA-N -1 3 265.353 3.468 20 0 CGADHM CC(C)(c1nc(-c2ccc3n[n-]nc3c2)no1)C1CCC1 ZINC000568096516 322193254 /nfs/dbraw/zinc/19/32/54/322193254.db2.gz FJZCKDRUDXFEJU-UHFFFAOYSA-N -1 3 283.335 3.086 20 0 CGADHM O=c1cc(CSc2ccccc2O)nc(C2CC2)[n-]1 ZINC000569317767 322243263 /nfs/dbraw/zinc/24/32/63/322243263.db2.gz SJGRDIUEKSTRPT-UHFFFAOYSA-N -1 3 274.345 3.058 20 0 CGADHM CC[C@@H](C)[C@H](C)C(=O)N=c1[nH][n-]c(C)c1-c1ccccc1 ZINC000573001615 322365954 /nfs/dbraw/zinc/36/59/54/322365954.db2.gz QBXGHXPNJLTQTH-NEPJUHHUSA-N -1 3 285.391 3.428 20 0 CGADHM [O-]c1ccc(Cc2nc([C@@H]3CC34CC4)no2)c(Cl)c1 ZINC000573099502 322370358 /nfs/dbraw/zinc/37/03/58/322370358.db2.gz VDMQPOPMDWHOGW-JTQLQIEISA-N -1 3 276.723 3.287 20 0 CGADHM CC(C)COC1CCN(Cc2ccsc2C(=O)[O-])CC1 ZINC000574815910 322458242 /nfs/dbraw/zinc/45/82/42/322458242.db2.gz BDYGVAXNQLYODA-UHFFFAOYSA-N -1 3 297.420 3.083 20 0 CGADHM CCc1cccc(C(=O)N2CCC[C@H](CSC)C2)c1[O-] ZINC000584309496 327235000 /nfs/dbraw/zinc/23/50/00/327235000.db2.gz JAIJAQPIXXWJTH-LBPRGKRZSA-N -1 3 293.432 3.170 20 0 CGADHM Cc1cc(CN2CCS[C@H]3CCCC[C@H]32)oc1C(=O)[O-] ZINC000582670964 329122610 /nfs/dbraw/zinc/12/26/10/329122610.db2.gz DCFWGROZOUXSCI-OLZOCXBDSA-N -1 3 295.404 3.146 20 0 CGADHM COc1ccc(C(=O)N[C@H](C)CCC(C)(C)C)c([O-])c1 ZINC000386250360 329134533 /nfs/dbraw/zinc/13/45/33/329134533.db2.gz IOJCCXZRZJJQIG-LLVKDONJSA-N -1 3 279.380 3.345 20 0 CGADHM CCC[C@@H](C(=O)[O-])N(C)Cc1ccccc1Cl ZINC000216613330 329295367 /nfs/dbraw/zinc/29/53/67/329295367.db2.gz CEBQEFIIHOIDSS-LBPRGKRZSA-N -1 3 255.745 3.025 20 0 CGADHM Cc1ccc(C(=O)Nc2ncccc2[O-])c(Cl)c1 ZINC000191889244 331032413 /nfs/dbraw/zinc/03/24/13/331032413.db2.gz GYDDHCBJQQWZPF-UHFFFAOYSA-N -1 3 262.696 3.001 20 0 CGADHM CSCCCC(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000175822139 335205041 /nfs/dbraw/zinc/20/50/41/335205041.db2.gz HEZSLPJUVLXAPG-UHFFFAOYSA-N -1 3 293.310 3.493 20 0 CGADHM O=C([O-])[C@@H]1CCCN1CCc1cc(Cl)ccc1Cl ZINC000576710838 335238652 /nfs/dbraw/zinc/23/86/52/335238652.db2.gz XYRBWSYURBNPCU-LBPRGKRZSA-N -1 3 288.174 3.085 20 0 CGADHM COc1ccc2c(c1)C[C@@H](C)N(Cc1ncccc1[O-])[C@@H]2C ZINC000576742485 335242116 /nfs/dbraw/zinc/24/21/16/335242116.db2.gz PYSYMAOVFJSQIY-CHWSQXEVSA-N -1 3 298.386 3.304 20 0 CGADHM Cc1cccc(C(=O)Nc2cccc(C3CC3)n2)c1[O-] ZINC000576777691 335247115 /nfs/dbraw/zinc/24/71/15/335247115.db2.gz DEPYFMAKJXHMIU-UHFFFAOYSA-N -1 3 268.316 3.225 20 0 CGADHM C[C@H](c1ccc(F)cc1)N(C)C(=O)c1ccc(O)cc1[O-] ZINC000192940751 335324281 /nfs/dbraw/zinc/32/42/81/335324281.db2.gz NQEYJBNNBCUVSJ-SNVBAGLBSA-N -1 3 289.306 3.070 20 0 CGADHM CCCCO[C@@H]1C[C@@H](N(C)Cc2ncccc2[O-])C1(C)C ZINC000577324779 335338717 /nfs/dbraw/zinc/33/87/17/335338717.db2.gz XMYZXBWPDVLTEM-HZPDHXFCSA-N -1 3 292.423 3.203 20 0 CGADHM CCc1onc(C)c1[N-]C(=O)c1cc2nc(C)ccc2o1 ZINC000179021758 335470604 /nfs/dbraw/zinc/47/06/04/335470604.db2.gz JHMSJPSIEZZGMY-UHFFFAOYSA-N -1 3 285.303 3.247 20 0 CGADHM CC[C@@H](C)[C@H](OC)c1nc(-c2ccc([O-])c(OC)c2)no1 ZINC000350589634 335517431 /nfs/dbraw/zinc/51/74/31/335517431.db2.gz ZPEYOGUNECWOHO-RNCFNFMXSA-N -1 3 292.335 3.184 20 0 CGADHM COC1(C(=O)Nc2cc(Cl)cc(C)c2[O-])CCCC1 ZINC000578272675 335594328 /nfs/dbraw/zinc/59/43/28/335594328.db2.gz OKJLSKMDMQCLIU-UHFFFAOYSA-N -1 3 283.755 3.252 20 0 CGADHM CCC[C@H]1C[C@H](C(=O)Nc2cccc([O-])c2F)CCO1 ZINC000182949984 335852434 /nfs/dbraw/zinc/85/24/34/335852434.db2.gz LQDUOXVOHXSAEA-MNOVXSKESA-N -1 3 281.327 3.065 20 0 CGADHM Cc1cccc(C(=O)N2CC(C)(C)[C@H]3CCC[C@H]32)c1[O-] ZINC000381146045 336052156 /nfs/dbraw/zinc/05/21/56/336052156.db2.gz RKIVJURGUKNSCQ-UONOGXRCSA-N -1 3 273.376 3.351 20 0 CGADHM C[C@@H]1CCCN(Cc2csc(C(=O)[O-])c2)[C@H]1C ZINC000581553167 336101880 /nfs/dbraw/zinc/10/18/80/336101880.db2.gz FLYDCYWIZLJPTI-ZJUUUORDSA-N -1 3 253.367 3.067 20 0 CGADHM CCC[C@@H]1C[C@H]1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000461924193 535480896 /nfs/dbraw/zinc/48/08/96/535480896.db2.gz UUOREFWKLOUQRG-PSASIEDQSA-N -1 3 253.729 3.420 20 0 CGADHM CS[C@@H](C)CCC(=O)Nc1ccc(C)cc1[O-] ZINC000358487523 533904159 /nfs/dbraw/zinc/90/41/59/533904159.db2.gz YBDUZAGSOWOVAH-JTQLQIEISA-N -1 3 253.367 3.171 20 0 CGADHM COc1ccccc1CC(C)(C)NC(=O)c1ccccc1[O-] ZINC000436565366 534018118 /nfs/dbraw/zinc/01/81/18/534018118.db2.gz JGOJLLJGRYLOFQ-UHFFFAOYSA-N -1 3 299.370 3.152 20 0 CGADHM C[C@@H](CSc1n[n-]c(-c2ccccn2)n1)C(F)(F)F ZINC000439047497 534197808 /nfs/dbraw/zinc/19/78/08/534197808.db2.gz PWXJCJGRVNPYMK-ZETCQYMHSA-N -1 3 288.298 3.157 20 0 CGADHM Cc1ccc(-c2nc(-c3ccc(O)cc3)no2)c([O-])c1C ZINC000436888474 534206383 /nfs/dbraw/zinc/20/63/83/534206383.db2.gz SLFCZOHOQIMPAA-UHFFFAOYSA-N -1 3 282.299 3.432 20 0 CGADHM C[C@@H]1CC[C@H](C(=O)Nc2nnc(-c3ccco3)[n-]2)C[C@H]1C ZINC000448893461 534213918 /nfs/dbraw/zinc/21/39/18/534213918.db2.gz IWXKYYMFPPBLQL-MXWKQRLJSA-N -1 3 288.351 3.076 20 0 CGADHM C[C@@H]1CC[C@H](C(=O)Nc2nc(-c3ccco3)n[n-]2)C[C@H]1C ZINC000448893461 534213919 /nfs/dbraw/zinc/21/39/19/534213919.db2.gz IWXKYYMFPPBLQL-MXWKQRLJSA-N -1 3 288.351 3.076 20 0 CGADHM C[C@@H]1CC[C@H](C(=O)Nc2n[n-]c(-c3ccco3)n2)C[C@H]1C ZINC000448893461 534213922 /nfs/dbraw/zinc/21/39/22/534213922.db2.gz IWXKYYMFPPBLQL-MXWKQRLJSA-N -1 3 288.351 3.076 20 0 CGADHM Cc1ccc(C(=O)NC2(c3ccccc3)CC2)c([O-])c1 ZINC000436710690 534263024 /nfs/dbraw/zinc/26/30/24/534263024.db2.gz XOZUKTITCWRGRN-UHFFFAOYSA-N -1 3 267.328 3.120 20 0 CGADHM O=C(Nc1ccccc1[O-])[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000175083201 534398787 /nfs/dbraw/zinc/39/87/87/534398787.db2.gz QPQZFPFLOMLWIU-WDEREUQCSA-N -1 3 289.281 3.413 20 0 CGADHM O=C(Nc1ccccc1[O-])c1ccc(OC2CCCC2)nc1 ZINC000359178405 534399259 /nfs/dbraw/zinc/39/92/59/534399259.db2.gz WWVFUOVASZQMGN-UHFFFAOYSA-N -1 3 298.342 3.361 20 0 CGADHM Cc1ccc2c(c1)CC[C@H]2NC(=O)c1cccc(C)c1[O-] ZINC000436676723 534419760 /nfs/dbraw/zinc/41/97/60/534419760.db2.gz SIIDQFMYDJIQLN-MRXNPFEDSA-N -1 3 281.355 3.426 20 0 CGADHM [O-]c1ccc(-c2noc([C@@H]3Cc4cc(F)ccc4O3)n2)cc1 ZINC000365445201 534451336 /nfs/dbraw/zinc/45/13/36/534451336.db2.gz FBWWMSAWUVIUDT-AWEZNQCLSA-N -1 3 298.273 3.258 20 0 CGADHM [O-]c1ccc(-c2noc(COc3ccc(F)cc3)n2)cc1 ZINC000436767100 534452069 /nfs/dbraw/zinc/45/20/69/534452069.db2.gz FEQKBALIFCKRJD-UHFFFAOYSA-N -1 3 286.262 3.160 20 0 CGADHM O=C([O-])[C@@H](NCc1ccc(Cl)s1)c1cccc(F)c1 ZINC000426800416 534515678 /nfs/dbraw/zinc/51/56/78/534515678.db2.gz NQVHPYALXASCGG-LBPRGKRZSA-N -1 3 299.754 3.456 20 0 CGADHM O=C([O-])[C@@H](NCc1cc2c(cccc2F)[nH]1)c1ccccc1 ZINC000426763604 534515910 /nfs/dbraw/zinc/51/59/10/534515910.db2.gz CQGDGTQMVFYWPK-INIZCTEOSA-N -1 3 298.317 3.223 20 0 CGADHM Cc1cccc(C(=O)NCCCOc2ccccc2C)c1[O-] ZINC000436670785 534602620 /nfs/dbraw/zinc/60/26/20/534602620.db2.gz HOYSAEKXECLYHV-UHFFFAOYSA-N -1 3 299.370 3.208 20 0 CGADHM Cc1cccc(C(C)(C)CNC(=O)c2c([O-])cccc2O)c1 ZINC000436663889 534633689 /nfs/dbraw/zinc/63/36/89/534633689.db2.gz JJHVKUUUGDSVMS-UHFFFAOYSA-N -1 3 299.370 3.114 20 0 CGADHM Clc1cnc(Sc2n[n-]c(-c3ccccc3)n2)nc1 ZINC000359023494 534658002 /nfs/dbraw/zinc/65/80/02/534658002.db2.gz ZREGGPRLCIOSMH-UHFFFAOYSA-N -1 3 289.751 3.066 20 0 CGADHM CC[C@@H](NCc1nc(C)ccc1[O-])c1ccc(OC)cc1 ZINC000103340934 522891343 /nfs/dbraw/zinc/89/13/43/522891343.db2.gz SEHDGRLIEZIHMI-OAHLLOKOSA-N -1 3 286.375 3.345 20 0 CGADHM CO[C@H]1CCCC[C@@H]1NCc1cccc([O-])c1Cl ZINC000293495933 523965502 /nfs/dbraw/zinc/96/55/02/523965502.db2.gz GVSZAOBFWBZHJG-AAEUAGOBSA-N -1 3 269.772 3.093 20 0 CGADHM O=C(N[C@@H]1CC[C@H]2CCC[C@H]2C1)c1ccccc1[O-] ZINC000436583354 534772816 /nfs/dbraw/zinc/77/28/16/534772816.db2.gz JLLSHMTUQIIXTK-FRRDWIJNSA-N -1 3 259.349 3.091 20 0 CGADHM Cc1cc([N-]C(=O)[C@@H](C)N2C[C@H](C)[C@@H]2c2ccccc2)on1 ZINC000081573594 525209544 /nfs/dbraw/zinc/20/95/44/525209544.db2.gz HRIMDPKBFLQXOA-NORZTCDRSA-N -1 3 299.374 3.003 20 0 CGADHM CSCCON=C([O-])Nc1cccc(C(C)(F)F)c1 ZINC000281024349 525518555 /nfs/dbraw/zinc/51/85/55/525518555.db2.gz MTFZLQZHMRSMQF-UHFFFAOYSA-N -1 3 290.335 3.214 20 0 CGADHM CSCCO[N-]C(=O)Nc1cccc(C(C)(F)F)c1 ZINC000281024349 525518563 /nfs/dbraw/zinc/51/85/63/525518563.db2.gz MTFZLQZHMRSMQF-UHFFFAOYSA-N -1 3 290.335 3.214 20 0 CGADHM C[C@@H](N[C@@H](C)c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000049353678 525606911 /nfs/dbraw/zinc/60/69/11/525606911.db2.gz ADZQIRQLJZHPMV-NKWVEPMBSA-N -1 3 262.136 3.117 20 0 CGADHM Cc1ccc([C@@H](C)N(C)C(=O)c2ccc3n[n-]nc3c2)cc1 ZINC000045247393 525687446 /nfs/dbraw/zinc/68/74/46/525687446.db2.gz BECOWVRFYSEAKI-GFCCVEGCSA-N -1 3 294.358 3.100 20 0 CGADHM Cc1ccc(C(=O)N(C)CCc2ccccc2)c([O-])c1C ZINC000052474015 526058339 /nfs/dbraw/zinc/05/83/39/526058339.db2.gz CXQVHLWBJGGMBN-UHFFFAOYSA-N -1 3 283.371 3.324 20 0 CGADHM Cc1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2C)c([O-])c1 ZINC000055482059 526066665 /nfs/dbraw/zinc/06/66/65/526066665.db2.gz KUMGTIKSWKOLSB-JSGCOSHPSA-N -1 3 261.365 3.351 20 0 CGADHM [O-]c1ccc(Cc2nc(-c3ccco3)no2)c(Cl)c1 ZINC000340657320 526345565 /nfs/dbraw/zinc/34/55/65/526345565.db2.gz XFFUAECMMUHNMS-UHFFFAOYSA-N -1 3 276.679 3.279 20 0 CGADHM CC(C)(C)c1nc(CN[C@H]2CCC[C@@]2(C)C(=O)[O-])cs1 ZINC000426752557 526865249 /nfs/dbraw/zinc/86/52/49/526865249.db2.gz DAAULUIWLRBAMC-XHDPSFHLSA-N -1 3 296.436 3.174 20 0 CGADHM CCC[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000448855789 527755387 /nfs/dbraw/zinc/75/53/87/527755387.db2.gz FWBLSQDWFKRXGS-RISCZKNCSA-N -1 3 299.378 3.022 20 0 CGADHM CCC[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000448855789 527755394 /nfs/dbraw/zinc/75/53/94/527755394.db2.gz FWBLSQDWFKRXGS-RISCZKNCSA-N -1 3 299.378 3.022 20 0 CGADHM CC(C)c1ccc(CN(C)C(=O)c2ccc(O)cc2[O-])cc1 ZINC000192855127 528091314 /nfs/dbraw/zinc/09/13/14/528091314.db2.gz SGNWQEVUAFTTDD-UHFFFAOYSA-N -1 3 299.370 3.493 20 0 CGADHM CCCN(C[C@@H]1CCCCO1)C(=O)c1ccc([O-])c(C)c1 ZINC000436906371 528121455 /nfs/dbraw/zinc/12/14/55/528121455.db2.gz VRYOFNVBIBLROI-HNNXBMFYSA-N -1 3 291.391 3.122 20 0 CGADHM CCCN(Cc1ccccc1)[C@H](C)c1nc(C)cc(=O)[n-]1 ZINC000411131625 528148067 /nfs/dbraw/zinc/14/80/67/528148067.db2.gz XGXWLVDZQVBVDB-CQSZACIVSA-N -1 3 285.391 3.464 20 0 CGADHM CC1CCC(CNC(=O)Cc2ccc([O-])c(F)c2)CC1 ZINC000448779569 528179941 /nfs/dbraw/zinc/17/99/41/528179941.db2.gz FDSAUFNYJRVIEH-UHFFFAOYSA-N -1 3 279.355 3.016 20 0 CGADHM CC(C)c1csc(NC(=O)Cc2ccc([O-])c(F)c2)n1 ZINC000448769091 528237731 /nfs/dbraw/zinc/23/77/31/528237731.db2.gz GJBUJWOIHDPFQT-UHFFFAOYSA-N -1 3 294.351 3.292 20 0 CGADHM CCOc1ccc(CN[C@H](C(=O)[O-])c2ccsc2)cc1 ZINC000426834041 528462588 /nfs/dbraw/zinc/46/25/88/528462588.db2.gz NHPJERYIFMJUAJ-AWEZNQCLSA-N -1 3 291.372 3.062 20 0 CGADHM CCC(=O)c1ccc(OCc2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC000412977789 528466986 /nfs/dbraw/zinc/46/69/86/528466986.db2.gz LZMAYFYSVJYZQJ-UHFFFAOYSA-N -1 3 298.342 3.231 20 0 CGADHM CCC(=O)c1cccc(NC(=O)c2cc([O-])ccc2OC)c1 ZINC000188815976 528477933 /nfs/dbraw/zinc/47/79/33/528477933.db2.gz TZIXRMBVZHBOCT-UHFFFAOYSA-N -1 3 299.326 3.246 20 0 CGADHM CCOc1cccc(CNC(=O)c2cc(CC)ccc2[O-])c1 ZINC000436925496 528651689 /nfs/dbraw/zinc/65/16/89/528651689.db2.gz GMFWIWGNGIKSTC-UHFFFAOYSA-N -1 3 299.370 3.283 20 0 CGADHM CCCCOc1ccc(C(=O)NC2CC(F)(F)C2)c([O-])c1 ZINC000436880726 528662728 /nfs/dbraw/zinc/66/27/28/528662728.db2.gz LBILOFBTFWVUTG-UHFFFAOYSA-N -1 3 299.317 3.099 20 0 CGADHM CCCCOc1ccc(NC(=O)c2cccc([O-])c2)cn1 ZINC000358985960 528685593 /nfs/dbraw/zinc/68/55/93/528685593.db2.gz KRYFHRBPUVIMAK-UHFFFAOYSA-N -1 3 286.331 3.218 20 0 CGADHM CC(C)[C@H](C(=O)[O-])[C@H](C)NCc1cc(Cl)ccc1F ZINC000424613806 528930900 /nfs/dbraw/zinc/93/09/00/528930900.db2.gz BSXWAPZLUFLSLP-ZANVPECISA-N -1 3 287.762 3.314 20 0 CGADHM CCC1(C)CN(C(=O)c2cc3c(cc2[O-])CCCC3)C1 ZINC000436656925 529030304 /nfs/dbraw/zinc/03/03/04/529030304.db2.gz SCSWGWZGBQPSRR-UHFFFAOYSA-N -1 3 273.376 3.143 20 0 CGADHM CCS[C@@H]1CCCC[C@@H]1NC(=O)c1ccccc1[O-] ZINC000436728991 529209678 /nfs/dbraw/zinc/20/96/78/529209678.db2.gz OWYKBCFLPVYCGX-GXTWGEPZSA-N -1 3 279.405 3.186 20 0 CGADHM CC[C@H](C)[C@@H](NC(=O)c1cccc(C)c1[O-])C(F)(F)F ZINC000436998481 529218605 /nfs/dbraw/zinc/21/86/05/529218605.db2.gz CJRNGNWFMZAJEU-QPUJVOFHSA-N -1 3 289.297 3.407 20 0 CGADHM CCS[C@@H]1CC[C@H](N(C)C(=O)c2cccc(C)c2[O-])C1 ZINC000175392389 529221409 /nfs/dbraw/zinc/22/14/09/529221409.db2.gz LPIYJALJPCKYMG-QWHCGFSZSA-N -1 3 293.432 3.447 20 0 CGADHM CC(C)=CCC[C@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000451741001 535368567 /nfs/dbraw/zinc/36/85/67/535368567.db2.gz NGQNLUMSYYVOSM-NSHDSACASA-N -1 3 273.423 3.161 20 0 CGADHM CCO/C=C/C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000493250571 535538620 /nfs/dbraw/zinc/53/86/20/535538620.db2.gz IJNODVOOOKZLBK-CMDGGOBGSA-N -1 3 263.337 3.178 20 0 CGADHM CCc1cc(C(=O)NCc2cc3ccccc3[nH]2)ccc1[O-] ZINC000485997100 536124532 /nfs/dbraw/zinc/12/45/32/536124532.db2.gz AWMAMNNFWYMQBX-UHFFFAOYSA-N -1 3 294.354 3.366 20 0 CGADHM CCc1cc(C(=O)Nc2cnc3c(c2)CCCC3)ccc1[O-] ZINC000487021259 536135484 /nfs/dbraw/zinc/13/54/84/536135484.db2.gz RUMRUMYREUAYSP-UHFFFAOYSA-N -1 3 296.370 3.481 20 0 CGADHM CCc1cc(=O)[n-]c(CSCc2cccc(C)c2)n1 ZINC000477346719 536154568 /nfs/dbraw/zinc/15/45/68/536154568.db2.gz GQXSPINRRFOLBN-UHFFFAOYSA-N -1 3 274.389 3.486 20 0 CGADHM Cc1ccc(-c2cc(C(=O)OC[C@H]3CC=CCC3)[n-]n2)o1 ZINC000727633363 571758692 /nfs/dbraw/zinc/75/86/92/571758692.db2.gz IKWAPSDIZLQYTI-LBPRGKRZSA-N -1 3 286.331 3.491 20 0 CGADHM Cc1ccc(-c2cc(C(=O)OC[C@H]3CC=CCC3)n[n-]2)o1 ZINC000727633363 571758696 /nfs/dbraw/zinc/75/86/96/571758696.db2.gz IKWAPSDIZLQYTI-LBPRGKRZSA-N -1 3 286.331 3.491 20 0 CGADHM O=C([O-])c1cccc(OCCNC2(c3ccccc3)CC2)c1 ZINC000740230703 571721152 /nfs/dbraw/zinc/72/11/52/571721152.db2.gz DDUNEJURDNNUCO-UHFFFAOYSA-N -1 3 297.354 3.043 20 0 CGADHM O=C([O-])c1sc2ccccc2c1CN1CC=CCC1 ZINC000382547532 572344605 /nfs/dbraw/zinc/34/46/05/572344605.db2.gz PPZZMYRSEFMISP-UHFFFAOYSA-N -1 3 273.357 3.361 20 0 CGADHM Fc1cc(-c2nnn[n-]2)ccc1S[C@@H]1C=CCCC1 ZINC000737643922 572360493 /nfs/dbraw/zinc/36/04/93/572360493.db2.gz HWKLYJKCYJDCNT-SNVBAGLBSA-N -1 3 276.340 3.207 20 0 CGADHM Fc1cc(-c2nn[n-]n2)ccc1S[C@@H]1C=CCCC1 ZINC000737643922 572360496 /nfs/dbraw/zinc/36/04/96/572360496.db2.gz HWKLYJKCYJDCNT-SNVBAGLBSA-N -1 3 276.340 3.207 20 0 CGADHM Cc1cccc2c1CC[C@@H]2N[C@@H](C(=O)[O-])c1ccccc1 ZINC000738310122 572371035 /nfs/dbraw/zinc/37/10/35/572371035.db2.gz BSXBUMBRVUSRFE-DLBZAZTESA-N -1 3 281.355 3.398 20 0 CGADHM [O-]c1ccc(CNCc2cnc3ccccc3c2)cc1F ZINC000738440449 572376469 /nfs/dbraw/zinc/37/64/69/572376469.db2.gz UDLKIXOTLXDSOV-UHFFFAOYSA-N -1 3 282.318 3.369 20 0 CGADHM O=[S@@](Cc1ccc(Cl)s1)c1ccc([O-])cc1 ZINC000730941375 572386995 /nfs/dbraw/zinc/38/69/95/572386995.db2.gz WLUHKVFAVFSHOL-INIZCTEOSA-N -1 3 272.778 3.415 20 0 CGADHM C[C@@H](c1ccc(Cl)cc1)N1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000739054946 572400577 /nfs/dbraw/zinc/40/05/77/572400577.db2.gz VEMDRLRREPSERZ-NWDGAFQWSA-N -1 3 296.798 3.333 20 0 CGADHM C[C@H](NC1CCC(NC(=O)[O-])CC1)c1ccc(F)cc1F ZINC000739032111 572411954 /nfs/dbraw/zinc/41/19/54/572411954.db2.gz IJSNUUSAZRWYLB-GCVQQVDUSA-N -1 3 298.333 3.194 20 0 CGADHM C[C@@H](NC[C@@H]1CCCN(C(=O)[O-])C1)c1c(F)cccc1F ZINC000739037724 572415443 /nfs/dbraw/zinc/41/54/43/572415443.db2.gz YHWQBWBDKZLWFE-MNOVXSKESA-N -1 3 298.333 3.005 20 0 CGADHM Cc1cccc(C(=O)N(C)CCc2ccccc2F)c1[O-] ZINC000731592751 572418268 /nfs/dbraw/zinc/41/82/68/572418268.db2.gz SDYMYLXGFJRTLO-UHFFFAOYSA-N -1 3 287.334 3.154 20 0 CGADHM CN(C[C@H]1CCCN(c2ccnc3ccccc32)C1)C(=O)[O-] ZINC000739642422 572421292 /nfs/dbraw/zinc/42/12/92/572421292.db2.gz ACGMRPOEQWRJFZ-CYBMUJFWSA-N -1 3 299.374 3.061 20 0 CGADHM O=C([O-])c1ccoc1CN1CC[C@H](c2cccc(F)c2)C1 ZINC000740248644 572437777 /nfs/dbraw/zinc/43/77/77/572437777.db2.gz GRJKSRYHADZSLW-LBPRGKRZSA-N -1 3 289.306 3.106 20 0 CGADHM O=C([O-])N1CCC[C@@H](NCc2csc3ccccc23)C1 ZINC000740513665 572443365 /nfs/dbraw/zinc/44/33/65/572443365.db2.gz VOYHMIRUBXCTNA-GFCCVEGCSA-N -1 3 290.388 3.133 20 0 CGADHM C[C@@H](OC(=O)c1cncc([O-])c1)c1ccc(F)c(Cl)c1 ZINC000732390863 572462099 /nfs/dbraw/zinc/46/20/99/572462099.db2.gz AQIRMNRMFZWYFQ-MRVPVSSYSA-N -1 3 295.697 3.498 20 0 CGADHM Cc1ccc(F)c(S(=O)(=O)[N-]C[C@@H](C)C(C)(C)C)c1 ZINC000734498621 572660619 /nfs/dbraw/zinc/66/06/19/572660619.db2.gz QHIQHVVAZLRMOT-LLVKDONJSA-N -1 3 287.400 3.095 20 0 CGADHM CS[C@H]1CC[C@@H](NC(=O)c2ccc(C)c(C)c2[O-])C1 ZINC000743727458 572681453 /nfs/dbraw/zinc/68/14/53/572681453.db2.gz BUOMPUBPSVMTOQ-NEPJUHHUSA-N -1 3 279.405 3.023 20 0 CGADHM C[C@H]1C[C@H](C)CN(c2c(Cl)cccc2-c2nnn[n-]2)C1 ZINC000736225470 572773275 /nfs/dbraw/zinc/77/32/75/572773275.db2.gz CKWKHSRHGFPRNL-UWVGGRQHSA-N -1 3 291.786 3.002 20 0 CGADHM C[C@H]1C[C@H](C)CN(c2c(Cl)cccc2-c2nn[n-]n2)C1 ZINC000736225470 572773277 /nfs/dbraw/zinc/77/32/77/572773277.db2.gz CKWKHSRHGFPRNL-UWVGGRQHSA-N -1 3 291.786 3.002 20 0 CGADHM C[C@@H]1CCC[C@H]1Nc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000736261612 572778307 /nfs/dbraw/zinc/77/83/07/572778307.db2.gz KZSOCDVZKZKXJB-ZWNOBZJWSA-N -1 3 294.362 3.015 20 0 CGADHM C[C@@H]1CCC[C@H]1Nc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000736261612 572778310 /nfs/dbraw/zinc/77/83/10/572778310.db2.gz KZSOCDVZKZKXJB-ZWNOBZJWSA-N -1 3 294.362 3.015 20 0 CGADHM CC[C@@H](Nc1ncccc1-c1nnn[n-]1)C1CCCCC1 ZINC000736367572 572784605 /nfs/dbraw/zinc/78/46/05/572784605.db2.gz CEWOGIWEIAWTTF-CYBMUJFWSA-N -1 3 286.383 3.033 20 0 CGADHM CC[C@@H](Nc1ncccc1-c1nn[n-]n1)C1CCCCC1 ZINC000736367572 572784609 /nfs/dbraw/zinc/78/46/09/572784609.db2.gz CEWOGIWEIAWTTF-CYBMUJFWSA-N -1 3 286.383 3.033 20 0 CGADHM Cc1n[nH]cc1[N-]c1nn2cc(-c3ccccc3)nc2s1 ZINC000745170363 572802757 /nfs/dbraw/zinc/80/27/57/572802757.db2.gz GTXQMYVFPBFEDR-UHFFFAOYSA-N -1 3 296.359 3.233 20 0 CGADHM CN(Cc1ccccc1)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000736828803 572819671 /nfs/dbraw/zinc/81/96/71/572819671.db2.gz SNONKKJJZRSEFY-UHFFFAOYSA-N -1 3 299.765 3.157 20 0 CGADHM CN(Cc1ccccc1)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000736828803 572819674 /nfs/dbraw/zinc/81/96/74/572819674.db2.gz SNONKKJJZRSEFY-UHFFFAOYSA-N -1 3 299.765 3.157 20 0 CGADHM CC[C@H](N[C@H]1CCCN(C(=O)[O-])C1)c1ccc(F)cc1F ZINC000736920069 572825222 /nfs/dbraw/zinc/82/52/22/572825222.db2.gz MLWRLWMASMOLQR-FZMZJTMJSA-N -1 3 298.333 3.148 20 0 CGADHM C[C@@H](C(=O)Nc1n[n-]c(-c2cccs2)n1)C1CCCC1 ZINC000749373018 572995744 /nfs/dbraw/zinc/99/57/44/572995744.db2.gz NHOQLMTZWQEEDP-SECBINFHSA-N -1 3 290.392 3.298 20 0 CGADHM Cc1ccc(OCCCC(=O)[N-]OCC(C)C)c(C)c1 ZINC000750022517 573074297 /nfs/dbraw/zinc/07/42/97/573074297.db2.gz XEAQRTATCYAQOG-UHFFFAOYSA-N -1 3 279.380 3.166 20 0 CGADHM COc1ccccc1Sc1nc2ccccc2c(=O)[n-]1 ZINC000750531914 573145608 /nfs/dbraw/zinc/14/56/08/573145608.db2.gz UAMKJMWBKOZXHT-UHFFFAOYSA-N -1 3 284.340 3.495 20 0 CGADHM Cc1cccc(CNc2cccc(-c3nnn[n-]3)c2C)c1 ZINC000822304510 607256198 /nfs/dbraw/zinc/25/61/98/607256198.db2.gz ZTKYPPIMEBCCJO-UHFFFAOYSA-N -1 3 279.347 3.096 20 0 CGADHM Cc1cccc(CNc2cccc(-c3nn[n-]n3)c2C)c1 ZINC000822304510 607256199 /nfs/dbraw/zinc/25/61/99/607256199.db2.gz ZTKYPPIMEBCCJO-UHFFFAOYSA-N -1 3 279.347 3.096 20 0 CGADHM C[C@H](c1ccc(F)c(Cl)c1)N1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000226430428 601508290 /nfs/dbraw/zinc/50/82/90/601508290.db2.gz JMMKBRFTJACPCY-KKZNHRDASA-N -1 3 285.746 3.193 20 0 CGADHM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C/C(Cl)=C/Cl ZINC000219479353 602033917 /nfs/dbraw/zinc/03/39/17/602033917.db2.gz IEYQPAQAHHLYCR-PQKZJTLCSA-N -1 3 278.179 3.023 20 0 CGADHM c1cc(SCCC2CCCCC2)ncc1-c1nnn[n-]1 ZINC000823762392 599126641 /nfs/dbraw/zinc/12/66/41/599126641.db2.gz NVBAMXQFKHYFMW-UHFFFAOYSA-N -1 3 289.408 3.324 20 0 CGADHM c1cc(SCCC2CCCCC2)ncc1-c1nn[n-]n1 ZINC000823762392 599126643 /nfs/dbraw/zinc/12/66/43/599126643.db2.gz NVBAMXQFKHYFMW-UHFFFAOYSA-N -1 3 289.408 3.324 20 0 CGADHM CCCCCCC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821049696 607294471 /nfs/dbraw/zinc/29/44/71/607294471.db2.gz MTFJMOJQOHPEFY-UHFFFAOYSA-N -1 3 287.367 3.084 20 0 CGADHM CCCCCCC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821049696 607294472 /nfs/dbraw/zinc/29/44/72/607294472.db2.gz MTFJMOJQOHPEFY-UHFFFAOYSA-N -1 3 287.367 3.084 20 0 CGADHM Cc1ccc([C@H](C)NCc2cccc(C(=O)[O-])c2)c(C)n1 ZINC000821069881 598192200 /nfs/dbraw/zinc/19/22/00/598192200.db2.gz MIGKULGMDRXVIX-LBPRGKRZSA-N -1 3 284.359 3.247 20 0 CGADHM O=C([O-])c1cccc(CNCc2cncc3ccccc32)c1 ZINC000756303377 598194384 /nfs/dbraw/zinc/19/43/84/598194384.db2.gz URJHOIJRMCPDDH-UHFFFAOYSA-N -1 3 292.338 3.223 20 0 CGADHM O=C([O-])c1cccc(CN[C@H](c2cccnc2)C2CC2)c1 ZINC000263451197 598204940 /nfs/dbraw/zinc/20/49/40/598204940.db2.gz ZQJQDMZMCPLROY-INIZCTEOSA-N -1 3 282.343 3.021 20 0 CGADHM Clc1ccc(N2CCCCCCC2)c(-c2nnn[n-]2)c1 ZINC000737577111 598506944 /nfs/dbraw/zinc/50/69/44/598506944.db2.gz SAPFSDYSKZHIJS-UHFFFAOYSA-N -1 3 291.786 3.291 20 0 CGADHM Clc1ccc(N2CCCCCCC2)c(-c2nn[n-]n2)c1 ZINC000737577111 598506946 /nfs/dbraw/zinc/50/69/46/598506946.db2.gz SAPFSDYSKZHIJS-UHFFFAOYSA-N -1 3 291.786 3.291 20 0 CGADHM CSC(C)(C)CNc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821951475 599361326 /nfs/dbraw/zinc/36/13/26/599361326.db2.gz ZBMBDAHFRHSVPQ-UHFFFAOYSA-N -1 3 297.815 3.074 20 0 CGADHM CSC(C)(C)CNc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821951475 599361329 /nfs/dbraw/zinc/36/13/29/599361329.db2.gz ZBMBDAHFRHSVPQ-UHFFFAOYSA-N -1 3 297.815 3.074 20 0 CGADHM CC(C)Oc1ccccc1CN[C@@H](C(=O)[O-])c1ccccc1 ZINC000315663564 599760047 /nfs/dbraw/zinc/76/00/47/599760047.db2.gz VKICARLRJZMPCP-QGZVFWFLSA-N -1 3 299.370 3.389 20 0 CGADHM Cc1cccc(CN(C)Cc2ccc(F)cc2C(=O)[O-])c1 ZINC000071265095 600087901 /nfs/dbraw/zinc/08/79/01/600087901.db2.gz RVRXNAXHZPUIMU-UHFFFAOYSA-N -1 3 287.334 3.464 20 0 CGADHM O=C([O-])c1ccc(CNCc2cccc3ccccc32)o1 ZINC000071396269 600524651 /nfs/dbraw/zinc/52/46/51/600524651.db2.gz LHWSBDBEZZDITK-UHFFFAOYSA-N -1 3 281.311 3.421 20 0 CGADHM O=C([O-])[C@H](N[C@@H]1CCc2ccccc21)c1ccccc1F ZINC000833167729 600734992 /nfs/dbraw/zinc/73/49/92/600734992.db2.gz PRNPWHKKNUTGAA-HZPDHXFCSA-N -1 3 285.318 3.229 20 0 CGADHM C[C@@H](c1ccc(F)c(Cl)c1)N1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000086774706 601508197 /nfs/dbraw/zinc/50/81/97/601508197.db2.gz JMMKBRFTJACPCY-YWVKMMECSA-N -1 3 285.746 3.193 20 0 CGADHM Cc1[n-]n([C@H]2CCc3c2cccc3F)c(=O)c1C(C)C ZINC000899356611 620651263 /nfs/dbraw/zinc/65/12/63/620651263.db2.gz NVTLVTVMYOLKER-GJZGRUSLSA-N -1 3 274.339 3.303 20 0 CGADHM Cc1[n-]n(-c2cccc3ncccc32)c(=O)c1C(C)C ZINC000899347881 620652304 /nfs/dbraw/zinc/65/23/04/620652304.db2.gz INFYHYXILQLAHN-HNNXBMFYSA-N -1 3 267.332 3.230 20 0 CGADHM Cc1ccc([C@H](C)NCc2ccc(NC(=O)[O-])nc2)s1 ZINC000830256028 603541880 /nfs/dbraw/zinc/54/18/80/603541880.db2.gz GKYTVHNZZRTQMY-JTQLQIEISA-N -1 3 291.376 3.392 20 0 CGADHM Cc1ccc2c(c1)CC[C@H]2NCc1ccc(NC(=O)[O-])nc1 ZINC000830446878 603545004 /nfs/dbraw/zinc/54/50/04/603545004.db2.gz XSATXWASXVFWKU-OAHLLOKOSA-N -1 3 297.358 3.257 20 0 CGADHM Cc1cscc1N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826320990 607647071 /nfs/dbraw/zinc/64/70/71/607647071.db2.gz MXKIMISDBXHZPA-SNVBAGLBSA-N -1 3 285.376 3.410 20 0 CGADHM Cc1cscc1N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826320990 607647073 /nfs/dbraw/zinc/64/70/73/607647073.db2.gz MXKIMISDBXHZPA-SNVBAGLBSA-N -1 3 285.376 3.410 20 0 CGADHM C[C@@H](NCc1ccc([C@@H](C)NC(=O)[O-])cc1)c1ccncc1 ZINC000825501954 604304264 /nfs/dbraw/zinc/30/42/64/604304264.db2.gz GDYBPZQCCCVUQW-CHWSQXEVSA-N -1 3 299.374 3.261 20 0 CGADHM C[C@H](N[C@@H]1CCCN(C(=O)[O-])C1)c1ccc2ccccc2n1 ZINC000825478535 604330382 /nfs/dbraw/zinc/33/03/82/604330382.db2.gz HPXGWMUNUFCHAR-GXTWGEPZSA-N -1 3 299.374 3.028 20 0 CGADHM Cc1[n-]n(C2CCC(F)(F)CC2)c(=O)c1C(C)C ZINC000899366920 620675809 /nfs/dbraw/zinc/67/58/09/620675809.db2.gz SBFIOYCGTUEBRX-NSHDSACASA-N -1 3 258.312 3.055 20 0 CGADHM O=c1cc(C=Cc2ccnn2C2CCC2)nc(C2CC2)[n-]1 ZINC000899372005 620678932 /nfs/dbraw/zinc/67/89/32/620678932.db2.gz ASOSMAHIPKSPHG-SREVYHEPSA-N -1 3 282.347 3.152 20 0 CGADHM Cc1cc(C)cc([C@@H](C)N[C@H](C(=O)[O-])c2cccnc2)c1 ZINC000832874569 605001110 /nfs/dbraw/zinc/00/11/10/605001110.db2.gz JLNGIONGIJGERV-CJNGLKHVSA-N -1 3 284.359 3.175 20 0 CGADHM C[C@H](c1cccc(O)c1)N(C)Cc1ccccc1CC(=O)[O-] ZINC000833547908 605076215 /nfs/dbraw/zinc/07/62/15/605076215.db2.gz GLBKHTOVVNRJPW-CYBMUJFWSA-N -1 3 299.370 3.212 20 0 CGADHM CC1(C)CCCN(Cc2cc(C(=O)[O-])ccc2F)C1 ZINC000070260957 605834649 /nfs/dbraw/zinc/83/46/49/605834649.db2.gz IHJVILDNTUJDFT-UHFFFAOYSA-N -1 3 265.328 3.146 20 0 CGADHM Cc1ccc([C@@H](C)Nc2ccc(-c3nnn[n-]3)nc2)cc1C ZINC000822229517 606063608 /nfs/dbraw/zinc/06/36/08/606063608.db2.gz WHONJKMAZLWCSH-GFCCVEGCSA-N -1 3 294.362 3.052 20 0 CGADHM Cc1ccc([C@@H](C)Nc2ccc(-c3nn[n-]n3)nc2)cc1C ZINC000822229517 606063612 /nfs/dbraw/zinc/06/36/12/606063612.db2.gz WHONJKMAZLWCSH-GFCCVEGCSA-N -1 3 294.362 3.052 20 0 CGADHM CC(C)[C@H]1CCN(c2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000820044255 606725101 /nfs/dbraw/zinc/72/51/01/606725101.db2.gz DVWPLKLLZJYMLC-JTQLQIEISA-N -1 3 291.786 3.002 20 0 CGADHM CC(C)[C@H]1CCN(c2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000820044255 606725102 /nfs/dbraw/zinc/72/51/02/606725102.db2.gz DVWPLKLLZJYMLC-JTQLQIEISA-N -1 3 291.786 3.002 20 0 CGADHM CC[C@@H](C)CSCc1ccc(-c2nnn[n-]2)cc1F ZINC000820870000 606795943 /nfs/dbraw/zinc/79/59/43/606795943.db2.gz KVQBJARZSBSVSS-SECBINFHSA-N -1 3 280.372 3.285 20 0 CGADHM CC[C@@H](C)CSCc1ccc(-c2nn[n-]n2)cc1F ZINC000820870000 606795945 /nfs/dbraw/zinc/79/59/45/606795945.db2.gz KVQBJARZSBSVSS-SECBINFHSA-N -1 3 280.372 3.285 20 0 CGADHM Cl/C=C(/Cl)CSc1cccc(-c2nnn[n-]2)c1 ZINC000822563775 606869074 /nfs/dbraw/zinc/86/90/74/606869074.db2.gz OIQSRDKFTAIRKL-VMPITWQZSA-N -1 3 287.175 3.278 20 0 CGADHM Cl/C=C(/Cl)CSc1cccc(-c2nn[n-]n2)c1 ZINC000822563775 606869075 /nfs/dbraw/zinc/86/90/75/606869075.db2.gz OIQSRDKFTAIRKL-VMPITWQZSA-N -1 3 287.175 3.278 20 0 CGADHM Cc1cccc(C)c1CNc1cccc(F)c1-c1nnn[n-]1 ZINC000822293549 607038641 /nfs/dbraw/zinc/03/86/41/607038641.db2.gz BQQRBGIOUOWYFM-UHFFFAOYSA-N -1 3 297.337 3.235 20 0 CGADHM Cc1cccc(C)c1CNc1cccc(F)c1-c1nn[n-]n1 ZINC000822293549 607038642 /nfs/dbraw/zinc/03/86/42/607038642.db2.gz BQQRBGIOUOWYFM-UHFFFAOYSA-N -1 3 297.337 3.235 20 0 CGADHM CC(C)[C@H](C)SCc1cccc(-c2nnn[n-]2)c1F ZINC000824191489 608396992 /nfs/dbraw/zinc/39/69/92/608396992.db2.gz FYGDNOFDTPKNEP-VIFPVBQESA-N -1 3 280.372 3.284 20 0 CGADHM CC(C)[C@H](C)SCc1cccc(-c2nn[n-]n2)c1F ZINC000824191489 608396993 /nfs/dbraw/zinc/39/69/93/608396993.db2.gz FYGDNOFDTPKNEP-VIFPVBQESA-N -1 3 280.372 3.284 20 0 CGADHM Fc1c(CSCC2CCC2)cccc1-c1nnn[n-]1 ZINC000826371124 608404730 /nfs/dbraw/zinc/40/47/30/608404730.db2.gz UJTCYQLMGZDJGD-UHFFFAOYSA-N -1 3 278.356 3.039 20 0 CGADHM Fc1c(CSCC2CCC2)cccc1-c1nn[n-]n1 ZINC000826371124 608404731 /nfs/dbraw/zinc/40/47/31/608404731.db2.gz UJTCYQLMGZDJGD-UHFFFAOYSA-N -1 3 278.356 3.039 20 0 CGADHM C[C@H]1CN(Cc2ccc(-c3nnn[n-]3)s2)c2ccccc21 ZINC000824985132 609173754 /nfs/dbraw/zinc/17/37/54/609173754.db2.gz RWWINUDJCLHBRP-JTQLQIEISA-N -1 3 297.387 3.052 20 0 CGADHM Cc1ccc(N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000826291670 609253460 /nfs/dbraw/zinc/25/34/60/609253460.db2.gz QGOUYIQVKUDONN-NSHDSACASA-N -1 3 297.337 3.487 20 0 CGADHM Cc1ccc(N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000826291670 609253461 /nfs/dbraw/zinc/25/34/61/609253461.db2.gz QGOUYIQVKUDONN-NSHDSACASA-N -1 3 297.337 3.487 20 0 CGADHM Cc1ccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000826291603 609346676 /nfs/dbraw/zinc/34/66/76/609346676.db2.gz NIKPDRMTXNUYAZ-NSHDSACASA-N -1 3 297.337 3.487 20 0 CGADHM Cc1ccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000826291603 609346677 /nfs/dbraw/zinc/34/66/77/609346677.db2.gz NIKPDRMTXNUYAZ-NSHDSACASA-N -1 3 297.337 3.487 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CC[C@H]1C1CCCC1 ZINC000889413763 617665587 /nfs/dbraw/zinc/66/55/87/617665587.db2.gz GQMYFJXHZAVSRN-ZDUSSCGKSA-N -1 3 259.349 3.105 20 0 CGADHM CCc1ccc([O-])c(C(=O)N(Cc2ccoc2)C2CC2)c1 ZINC000889093145 617667868 /nfs/dbraw/zinc/66/78/68/617667868.db2.gz COYISLFLQQPTHI-UHFFFAOYSA-N -1 3 285.343 3.352 20 0 CGADHM CCc1cccc(C(=O)N(Cc2ccoc2)C2CC2)c1[O-] ZINC000889093370 617671260 /nfs/dbraw/zinc/67/12/60/617671260.db2.gz MYJVZUNVAIKNFE-UHFFFAOYSA-N -1 3 285.343 3.352 20 0 CGADHM CCON(C(=O)CCCc1ccc([O-])c(F)c1)C(C)C ZINC000844074855 617860776 /nfs/dbraw/zinc/86/07/76/617860776.db2.gz KKEPEMBQLSYEMY-UHFFFAOYSA-N -1 3 283.343 3.043 20 0 CGADHM COc1ccc(F)cc1CN1CCCC[C@H]1CCC(=O)[O-] ZINC000050925570 618705384 /nfs/dbraw/zinc/70/53/84/618705384.db2.gz MKDJBHUCVILRSD-AWEZNQCLSA-N -1 3 295.354 3.054 20 0 CGADHM Fc1ccc2nc([N-]c3cnn(CC4CC4)c3)oc2c1 ZINC000892741192 618929215 /nfs/dbraw/zinc/92/92/15/618929215.db2.gz RALSOWDYXGFNPP-UHFFFAOYSA-N -1 3 272.283 3.317 20 0 CGADHM CCC1(CC)CN(Cc2ccc(C(=O)[O-])s2)C1 ZINC000310481851 619087321 /nfs/dbraw/zinc/08/73/21/619087321.db2.gz LPQNRMNKDDGFBQ-UHFFFAOYSA-N -1 3 253.367 3.068 20 0 CGADHM CC[C@@H]1CCC[C@]1(C)C(=O)[N-]OCCC(F)(F)F ZINC000879565948 619507254 /nfs/dbraw/zinc/50/72/54/619507254.db2.gz AYRDUENAIIVNIT-KOLCDFICSA-N -1 3 267.291 3.203 20 0 CGADHM Cc1nc(N[C@@H](C)c2ccc(C(F)(F)F)nc2)cc(=O)[n-]1 ZINC000895088132 619722503 /nfs/dbraw/zinc/72/25/03/619722503.db2.gz MPWKDTSNONLRHX-ZETCQYMHSA-N -1 3 298.268 3.078 20 0 CGADHM CCCC[C@@H](CC)CC(=O)[N-]OCc1ccccn1 ZINC000909530811 619920254 /nfs/dbraw/zinc/92/02/54/619920254.db2.gz DUVXFTXUSVZJHL-CYBMUJFWSA-N -1 3 264.369 3.236 20 0 CGADHM Cc1ccc(CCCC(=O)[N-]OCc2ccccn2)s1 ZINC000909537038 620076634 /nfs/dbraw/zinc/07/66/34/620076634.db2.gz SXERCKTYNFWQEY-UHFFFAOYSA-N -1 3 290.388 3.022 20 0 CGADHM COCC1(c2noc(-c3ccc(C(C)C)cc3[O-])n2)CC1 ZINC000897044478 620125328 /nfs/dbraw/zinc/12/53/28/620125328.db2.gz CRUMFVNAPNKFGV-UHFFFAOYSA-N -1 3 288.347 3.244 20 0 CGADHM CCCN(CC(=O)[O-])Cc1ccc(F)c(Cl)c1Cl ZINC000263422416 620317405 /nfs/dbraw/zinc/31/74/05/620317405.db2.gz PHUOWFMEPDLKQQ-UHFFFAOYSA-N -1 3 294.153 3.429 20 0 CGADHM C[C@@H](CN(C)Cc1ccc(Oc2ccccc2)o1)C(=O)[O-] ZINC000263461902 620320537 /nfs/dbraw/zinc/32/05/37/620320537.db2.gz BWYKXIFFOVNQOC-LBPRGKRZSA-N -1 3 289.331 3.224 20 0 CGADHM CSc1cccc(C)c1NC([O-])=NO[C@@H]1CCCCO1 ZINC000185715857 625423546 /nfs/dbraw/zinc/42/35/46/625423546.db2.gz LXWZUAIPPLRIMX-GFCCVEGCSA-N -1 3 296.392 3.297 20 0 CGADHM CSc1cccc(C)c1NC(=O)[N-]O[C@@H]1CCCCO1 ZINC000185715857 625423551 /nfs/dbraw/zinc/42/35/51/625423551.db2.gz LXWZUAIPPLRIMX-GFCCVEGCSA-N -1 3 296.392 3.297 20 0 CGADHM [O-]c1ccc(F)c(CNc2cnn(C3CCC3)c2)c1F ZINC000897878095 620442461 /nfs/dbraw/zinc/44/24/61/620442461.db2.gz SOBVWQAXKMXIOQ-UHFFFAOYSA-N -1 3 279.290 3.204 20 0 CGADHM Cc1cccc(CO[N-]C(=O)CC2(C)CCCCC2)n1 ZINC000898935138 620610438 /nfs/dbraw/zinc/61/04/38/620610438.db2.gz TZWRIKXUEBWGCR-UHFFFAOYSA-N -1 3 276.380 3.298 20 0 CGADHM CC(C)(C)OC1CCN(Cc2csc(C(=O)[O-])c2)CC1 ZINC000901426465 620883604 /nfs/dbraw/zinc/88/36/04/620883604.db2.gz IUDZHPIRBIQOHK-UHFFFAOYSA-N -1 3 297.420 3.226 20 0 CGADHM Cc1cc(CN[C@H](CCC(=O)[O-])c2ccccc2)sn1 ZINC000901654271 620968033 /nfs/dbraw/zinc/96/80/33/620968033.db2.gz XZZAATZZYCFDSK-CQSZACIVSA-N -1 3 290.388 3.147 20 0 CGADHM O=C([O-])[C@H]1CC[C@@H](c2ccccc2)[N@@H+]1Cc1ccccc1[O-] ZINC000902046218 621115336 /nfs/dbraw/zinc/11/53/36/621115336.db2.gz IXMWCKBTSSRYBE-JKSUJKDBSA-N -1 3 297.354 3.183 20 0 CGADHM O=C([O-])[C@H]1CC[C@@H](c2ccccc2)[N@H+]1Cc1ccccc1[O-] ZINC000902046218 621115340 /nfs/dbraw/zinc/11/53/40/621115340.db2.gz IXMWCKBTSSRYBE-JKSUJKDBSA-N -1 3 297.354 3.183 20 0 CGADHM Cc1cc(C)c(CNCc2ccoc2C(=O)[O-])c(C)c1 ZINC000902109611 621139715 /nfs/dbraw/zinc/13/97/15/621139715.db2.gz RQNYGQUMSBTFTK-UHFFFAOYSA-N -1 3 273.332 3.193 20 0 CGADHM CCc1nc(CN[C@@H](C)CCCC(C)(C)C(=O)[O-])cs1 ZINC000902235907 621205491 /nfs/dbraw/zinc/20/54/91/621205491.db2.gz ZHANCEGZASHZLP-NSHDSACASA-N -1 3 298.452 3.465 20 0 CGADHM C[C@H]1CCc2ccccc2[C@H]1NCc1ccc(C(=O)[O-])o1 ZINC000902336140 621271292 /nfs/dbraw/zinc/27/12/92/621271292.db2.gz HOMITJDELZNYIC-ZBEGNZNMSA-N -1 3 285.343 3.391 20 0 CGADHM Cc1ccc(F)c(CN(CC(=O)[O-])C2CCCC2)c1F ZINC000903607742 621771196 /nfs/dbraw/zinc/77/11/96/621771196.db2.gz DKBAHOOLFAFAFO-UHFFFAOYSA-N -1 3 283.318 3.102 20 0 CGADHM CC[C@@H](C)[C@H](C(=O)[O-])N1CCc2sc(Cl)cc2C1 ZINC000903596530 621774004 /nfs/dbraw/zinc/77/40/04/621774004.db2.gz PDURZKKTSPYVNU-PRHODGIISA-N -1 3 287.812 3.259 20 0 CGADHM O=C([O-])c1ccc(CN[C@@H](c2ccccn2)C2CC2)cc1 ZINC000903703518 621793526 /nfs/dbraw/zinc/79/35/26/621793526.db2.gz FIKWKAUJBGHASQ-MRXNPFEDSA-N -1 3 282.343 3.021 20 0 CGADHM CC1(C)CC(CN2CCOc3c(cccc3C(=O)[O-])C2)C1 ZINC000903928024 621834155 /nfs/dbraw/zinc/83/41/55/621834155.db2.gz OLWVWVOWUIMIHR-UHFFFAOYSA-N -1 3 289.375 3.015 20 0 CGADHM C[C@@H]1CSCCCN1Cc1c(Cl)cccc1C(=O)[O-] ZINC000903958109 621836933 /nfs/dbraw/zinc/83/69/33/621836933.db2.gz WFKHGSHNMUOXKS-SNVBAGLBSA-N -1 3 299.823 3.366 20 0 CGADHM Cc1ncsc1CN[C@H](CC(=O)[O-])c1cccc(C)c1 ZINC000904045388 621859037 /nfs/dbraw/zinc/85/90/37/621859037.db2.gz INJSKDGOMYHDNC-CYBMUJFWSA-N -1 3 290.388 3.066 20 0 CGADHM CCC[C@@H](NCc1ccc(C(=O)[O-])cn1)c1ccccc1 ZINC000905718737 622098351 /nfs/dbraw/zinc/09/83/51/622098351.db2.gz MAVKJCSJLFHWDW-MRXNPFEDSA-N -1 3 284.359 3.411 20 0 CGADHM CC12C[C@H]3C[C@@H](C1)CC(C(=O)[N-]OC1CCC1)(C3)C2 ZINC000908569214 622358636 /nfs/dbraw/zinc/35/86/36/622358636.db2.gz OCJXNZJULZZJSX-RJAIZQQDSA-N -1 3 263.381 3.193 20 0 CGADHM Cc1cccc(CO[N-]C(=O)C2(CC(C)C)CCC2)n1 ZINC000912631469 622684957 /nfs/dbraw/zinc/68/49/57/622684957.db2.gz RFVFIJGHBOSRPG-UHFFFAOYSA-N -1 3 276.380 3.154 20 0 CGADHM O=C(OCc1ccc(F)cc1)c1cc(-c2ccco2)[n-]n1 ZINC000913299690 622756389 /nfs/dbraw/zinc/75/63/89/622756389.db2.gz POHNBFYBBQLPIN-UHFFFAOYSA-N -1 3 286.262 3.166 20 0 CGADHM O=C(OCc1ccc(F)cc1)c1cc(-c2ccco2)n[n-]1 ZINC000913299690 622756394 /nfs/dbraw/zinc/75/63/94/622756394.db2.gz POHNBFYBBQLPIN-UHFFFAOYSA-N -1 3 286.262 3.166 20 0 CGADHM CCCC(CCC)=NNC(=O)c1ccc(C)cc1[O-] ZINC000054885412 622800247 /nfs/dbraw/zinc/80/02/47/622800247.db2.gz ATUVHWJNHCSAIX-UHFFFAOYSA-N -1 3 262.353 3.387 20 0 CGADHM C[C@@H]1CCC[C@@H](CN2Cc3ccccc3[C@@H](C(=O)[O-])C2)C1 ZINC000227535327 623021332 /nfs/dbraw/zinc/02/13/32/623021332.db2.gz NYNHRZRFUKYLLN-CPUCHLNUSA-N -1 3 287.403 3.497 20 0 CGADHM CCC[C@H](C)c1noc(-c2cccc(OC)c2[O-])n1 ZINC000761832099 623763681 /nfs/dbraw/zinc/76/36/81/623763681.db2.gz FBQMLECZQIYTOC-VIFPVBQESA-N -1 3 262.309 3.354 20 0 CGADHM Cc1cc(=O)[n-]c(CSCc2ncc(C(C)(C)C)o2)n1 ZINC000763208242 623866975 /nfs/dbraw/zinc/86/69/75/623866975.db2.gz JHAWKNQJFNACLC-UHFFFAOYSA-N -1 3 293.392 3.210 20 0 CGADHM C[C@@]1(COC(=O)c2ccc([O-])cc2)CC1(Cl)Cl ZINC000837336486 624023177 /nfs/dbraw/zinc/02/31/77/624023177.db2.gz ARUQYRHWKBPBLC-NSHDSACASA-N -1 3 275.131 3.133 20 0 CGADHM Cc1ccc(OC[C@@H](C)NC(=O)c2ccc(C)cc2[O-])cc1 ZINC000921288408 624580107 /nfs/dbraw/zinc/58/01/07/624580107.db2.gz XUARGQXLFXSCDZ-CQSZACIVSA-N -1 3 299.370 3.206 20 0 CGADHM CC(=O)[N-]O[C@H](C)c1ncc(-c2ccc(Cl)cc2)o1 ZINC000180796570 624772895 /nfs/dbraw/zinc/77/28/95/624772895.db2.gz ONWYLRHAPAPCSS-MRVPVSSYSA-N -1 3 280.711 3.124 20 0 CGADHM C=C(C)CN(C)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000181288094 624841044 /nfs/dbraw/zinc/84/10/44/624841044.db2.gz KDZBKEOOXCLEJI-UHFFFAOYSA-N -1 3 267.756 3.256 20 0 CGADHM O=[N+]([O-])c1cc(Cl)cc(CN2CCCC3(CC3)C2)c1[O-] ZINC000186612940 626063555 /nfs/dbraw/zinc/06/35/55/626063555.db2.gz DARYJXZFTUYSMC-UHFFFAOYSA-N -1 3 296.754 3.330 20 0 CGADHM CC(F)(F)CC[N-]C(=O)C(F)(F)c1cc(F)cc(F)c1 ZINC000823223679 626095717 /nfs/dbraw/zinc/09/57/17/626095717.db2.gz YQKYXAZMGGSRSW-UHFFFAOYSA-N -1 3 299.214 3.218 20 0 CGADHM CC[C@H](OC(=O)c1cncc([O-])c1)c1ccc(F)cc1F ZINC000754817301 626588532 /nfs/dbraw/zinc/58/85/32/626588532.db2.gz OQUYNFVJBWSSOW-AWEZNQCLSA-N -1 3 293.269 3.374 20 0 CGADHM O=C([O-])[C@@H]1CCCN(Cc2cnc(C3CCCC3)s2)C1 ZINC000874050119 634509573 /nfs/dbraw/zinc/50/95/73/634509573.db2.gz MQDSIYONZOWSJC-GFCCVEGCSA-N -1 3 294.420 3.097 20 0 CGADHM C[C@H]([N-]C(=O)C(F)(F)c1nccs1)c1cccs1 ZINC000756408522 626702710 /nfs/dbraw/zinc/70/27/10/626702710.db2.gz JCNCXKKCPOMLEN-ZETCQYMHSA-N -1 3 288.344 3.174 20 0 CGADHM CCc1cc(=O)[n-]c(CSCc2ncc(C(C)C)o2)n1 ZINC000763211435 627145287 /nfs/dbraw/zinc/14/52/87/627145287.db2.gz SVLIJGMIQSLNHR-UHFFFAOYSA-N -1 3 293.392 3.289 20 0 CGADHM O=C(N[C@H]1CC12CCC2)c1cc([O-])cc(C(F)(F)F)c1 ZINC000874777919 634608240 /nfs/dbraw/zinc/60/82/40/634608240.db2.gz IWTNYRYCIKJGDR-NSHDSACASA-N -1 3 285.265 3.083 20 0 CGADHM C[C@H]1COCC[C@H]1OC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000835771580 634625013 /nfs/dbraw/zinc/62/50/13/634625013.db2.gz OCZYDINTQZCAAX-OIBJUYFYSA-N -1 3 299.779 3.465 20 0 CGADHM CCN(CC)[C@H](C(=O)[N-]OC1CCCC1)c1ccccc1 ZINC000775276724 628077718 /nfs/dbraw/zinc/07/77/18/628077718.db2.gz UCBDQFNMRVLOPU-INIZCTEOSA-N -1 3 290.407 3.060 20 0 CGADHM O=C(Cc1ccccc1OC(F)F)[N-]OC1CCCCC1 ZINC000777960820 628314830 /nfs/dbraw/zinc/31/48/30/628314830.db2.gz JAMLHXJEJPUMRN-UHFFFAOYSA-N -1 3 299.317 3.211 20 0 CGADHM Cc1cccc(CCC(=O)[N-]OC2CCCCC2)c1 ZINC000777962930 628316147 /nfs/dbraw/zinc/31/61/47/628316147.db2.gz RMKXYBZQGNZJNH-UHFFFAOYSA-N -1 3 261.365 3.308 20 0 CGADHM CC(C)[C@H]1C[C@H](CC(=O)[N-]Oc2ccccc2F)CCO1 ZINC000874910497 634649569 /nfs/dbraw/zinc/64/95/69/634649569.db2.gz SJBDFPQPWFMHFL-IUODEOHRSA-N -1 3 295.354 3.077 20 0 CGADHM CCC(=O)c1ccc(C(=O)Nc2ccc([O-])cc2F)cc1 ZINC000782856322 628664889 /nfs/dbraw/zinc/66/48/89/628664889.db2.gz XMKUVCLODHEKMH-UHFFFAOYSA-N -1 3 287.290 3.376 20 0 CGADHM O=C(CCCc1ccsc1)NCc1ccc([O-])c(F)c1 ZINC000783587062 628729669 /nfs/dbraw/zinc/72/96/69/628729669.db2.gz AQMGLGOFGLPABO-UHFFFAOYSA-N -1 3 293.363 3.232 20 0 CGADHM C[C@H]1C[C@H](COC(=O)c2cccc(Cl)c2[O-])CCO1 ZINC000784564756 628821896 /nfs/dbraw/zinc/82/18/96/628821896.db2.gz VHUDQMAKPRIJAQ-VHSXEESVSA-N -1 3 284.739 3.018 20 0 CGADHM O=C(O[C@@H]1CCCCC1=O)c1cc2sccc2c([O-])c1 ZINC000786137292 628915718 /nfs/dbraw/zinc/91/57/18/628915718.db2.gz KTXSMWXBUMSBIC-CYBMUJFWSA-N -1 3 290.340 3.275 20 0 CGADHM O=C(COC(=O)c1cc2sccc2c([O-])c1)C1CCC1 ZINC000786137314 628915951 /nfs/dbraw/zinc/91/59/51/628915951.db2.gz KZJJEUICGIYHKQ-UHFFFAOYSA-N -1 3 290.340 3.133 20 0 CGADHM COC[C@@H](OC(=O)c1cc2cc(Cl)sc2[n-]1)C1CC1 ZINC000810636755 628951713 /nfs/dbraw/zinc/95/17/13/628951713.db2.gz BGJMWLVSFPRPOG-SNVBAGLBSA-N -1 3 299.779 3.465 20 0 CGADHM CCc1ccc(C(=O)Nc2ccc(O)cc2C)c([O-])c1 ZINC000787134408 628993725 /nfs/dbraw/zinc/99/37/25/628993725.db2.gz YNUROSPTQIZOPI-UHFFFAOYSA-N -1 3 271.316 3.221 20 0 CGADHM C[C@@H]([N-]C(=O)C(F)F)c1ccccc1C(F)(F)F ZINC000787166111 628998797 /nfs/dbraw/zinc/99/87/97/628998797.db2.gz MQXAEMQNQOHYLP-ZCFIWIBFSA-N -1 3 267.197 3.148 20 0 CGADHM O=C(OC/C=C\c1ccc(Cl)cc1)c1cncc([O-])c1 ZINC000787704454 629023276 /nfs/dbraw/zinc/02/32/76/629023276.db2.gz YKPJMMGPWJEEQG-UPHRSURJSA-N -1 3 289.718 3.311 20 0 CGADHM O=C([N-]c1ncccc1Cl)c1nc(Cl)cs1 ZINC000790965088 629243410 /nfs/dbraw/zinc/24/34/10/629243410.db2.gz CNLKAZNUOWUDLH-UHFFFAOYSA-N -1 3 274.132 3.097 20 0 CGADHM CCN(C[C@@H]1CCOC1)C(=O)c1cc([O-])c2ccccc2c1 ZINC000792087073 629336129 /nfs/dbraw/zinc/33/61/29/629336129.db2.gz XWWOZYHYCMVCAA-ZDUSSCGKSA-N -1 3 299.370 3.044 20 0 CGADHM CCOc1ccc(CCC(=O)[N-]OC[C@H](C)CC)cc1 ZINC000794850580 629587651 /nfs/dbraw/zinc/58/76/51/629587651.db2.gz DWCCHRLNJMPWEE-CYBMUJFWSA-N -1 3 279.380 3.112 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)CCSc1ccc(OC)cc1 ZINC000794854052 629588769 /nfs/dbraw/zinc/58/87/69/629588769.db2.gz UEWZYKOTDGFIHD-LBPRGKRZSA-N -1 3 297.420 3.271 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)CCCc1sccc1C ZINC000794853706 629588785 /nfs/dbraw/zinc/58/87/85/629588785.db2.gz NOFYKRNLLNSXPR-LLVKDONJSA-N -1 3 269.410 3.473 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)CCC(=O)c1ccc(F)c(F)c1 ZINC000794854304 629589272 /nfs/dbraw/zinc/58/92/72/629589272.db2.gz QUVGVEAOOXJACG-SNVBAGLBSA-N -1 3 299.317 3.022 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)Cc1c[nH]c2cc(Cl)ccc12 ZINC000794868838 629592125 /nfs/dbraw/zinc/59/21/25/629592125.db2.gz FUAGLAJXHSYPQN-JTQLQIEISA-N -1 3 294.782 3.458 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)C[C@H]1CCOc2ccccc21 ZINC000794871638 629592378 /nfs/dbraw/zinc/59/23/78/629592378.db2.gz RHJJVVPRPIDLAY-CHWSQXEVSA-N -1 3 277.364 3.037 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)Cc1c(C)oc2ccccc21 ZINC000794870131 629592525 /nfs/dbraw/zinc/59/25/25/629592525.db2.gz LMCQCPYJOCJGPH-NSHDSACASA-N -1 3 275.348 3.378 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)CCc1ccc(C)cc1C ZINC000794872846 629593279 /nfs/dbraw/zinc/59/32/79/629593279.db2.gz XINIHERVIDHNIL-LBPRGKRZSA-N -1 3 263.381 3.330 20 0 CGADHM CC(C)c1ccc(C(=O)N[C@H](C)c2ccns2)c([O-])c1 ZINC000863611894 629621671 /nfs/dbraw/zinc/62/16/71/629621671.db2.gz ZTQIXBCISBLFDO-SNVBAGLBSA-N -1 3 290.388 3.463 20 0 CGADHM CCO[N-]C(=O)Cc1csc2sc(CC)cc12 ZINC000864688675 629892047 /nfs/dbraw/zinc/89/20/47/629892047.db2.gz DGRITXOSIAHBDE-UHFFFAOYSA-N -1 3 269.391 3.135 20 0 CGADHM CCOc1ccccc1COC(=O)c1ccc([O-])cc1 ZINC000797573721 629962009 /nfs/dbraw/zinc/96/20/09/629962009.db2.gz VFDFTFUBNLTZKU-UHFFFAOYSA-N -1 3 272.300 3.148 20 0 CGADHM CC(C)(C)CCCOC(=O)c1cc(F)cc2[n-]nnc21 ZINC000800261190 630256284 /nfs/dbraw/zinc/25/62/84/630256284.db2.gz QPUUHMOQOKBWJX-UHFFFAOYSA-N -1 3 279.315 3.080 20 0 CGADHM CC(C)(C)CCCOC(=O)c1cc(F)cc2nn[n-]c21 ZINC000800261190 630256286 /nfs/dbraw/zinc/25/62/86/630256286.db2.gz QPUUHMOQOKBWJX-UHFFFAOYSA-N -1 3 279.315 3.080 20 0 CGADHM CC(C)(C)CCCOC(=O)c1cc(F)cc2n[n-]nc21 ZINC000800261190 630256291 /nfs/dbraw/zinc/25/62/91/630256291.db2.gz QPUUHMOQOKBWJX-UHFFFAOYSA-N -1 3 279.315 3.080 20 0 CGADHM CC[C@@H](OC(=O)c1cc(F)cc2[n-]nnc21)c1ccccc1 ZINC000800263051 630256594 /nfs/dbraw/zinc/25/65/94/630256594.db2.gz WPSJODBWJGYHPG-CQSZACIVSA-N -1 3 299.305 3.405 20 0 CGADHM CC[C@@H](OC(=O)c1cc(F)cc2nn[n-]c21)c1ccccc1 ZINC000800263051 630256597 /nfs/dbraw/zinc/25/65/97/630256597.db2.gz WPSJODBWJGYHPG-CQSZACIVSA-N -1 3 299.305 3.405 20 0 CGADHM CC[C@@H](OC(=O)c1cc(F)cc2n[n-]nc21)c1ccccc1 ZINC000800263051 630256601 /nfs/dbraw/zinc/25/66/01/630256601.db2.gz WPSJODBWJGYHPG-CQSZACIVSA-N -1 3 299.305 3.405 20 0 CGADHM O=C([N-]c1ccon1)c1nc(-c2ccccc2)cs1 ZINC000801182694 630326876 /nfs/dbraw/zinc/32/68/76/630326876.db2.gz PSUVBDJOKDBDED-UHFFFAOYSA-N -1 3 271.301 3.050 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2nccc3ccncc32)c1 ZINC000802615181 630400114 /nfs/dbraw/zinc/40/01/14/630400114.db2.gz LAWUAUOFJYVXRU-UHFFFAOYSA-N -1 3 293.326 3.150 20 0 CGADHM CON(CC(C)(C)C)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000804584414 630540502 /nfs/dbraw/zinc/54/05/02/630540502.db2.gz SGKYAFIQCULYOD-UHFFFAOYSA-N -1 3 297.370 3.290 20 0 CGADHM CCCC(=O)COC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000811393678 631061639 /nfs/dbraw/zinc/06/16/39/631061639.db2.gz CHCMVCUNUPRSBT-UHFFFAOYSA-N -1 3 285.752 3.409 20 0 CGADHM CCOc1cccc(NCc2c(F)ccc([O-])c2F)n1 ZINC000811834970 631125418 /nfs/dbraw/zinc/12/54/18/631125418.db2.gz KCHPXGPUTZDDQL-UHFFFAOYSA-N -1 3 280.274 3.076 20 0 CGADHM Cc1ccc(OCCCC(=O)[N-]OC/C=C\Cl)cc1C ZINC000812409229 631249362 /nfs/dbraw/zinc/24/93/62/631249362.db2.gz ORCGLYOPGRPMHD-YWEYNIOJSA-N -1 3 297.782 3.263 20 0 CGADHM CC(C)OCCO[N-]C(=O)CC1CCC(C)(C)CC1 ZINC000812803841 631317085 /nfs/dbraw/zinc/31/70/85/631317085.db2.gz YMBKXQKJFIGKKX-UHFFFAOYSA-N -1 3 271.401 3.066 20 0 CGADHM COC(=O)c1cc(C(=O)O[C@@H](C)c2ccccc2C)c[n-]1 ZINC000814531678 631601699 /nfs/dbraw/zinc/60/16/99/631601699.db2.gz ULZBVSGEWIZBGQ-NSHDSACASA-N -1 3 287.315 3.028 20 0 CGADHM [O-]c1ccc(F)c(CNCc2ccc(Cl)nc2)c1F ZINC000816536104 632005745 /nfs/dbraw/zinc/00/57/45/632005745.db2.gz MELLMXLBNBLXRW-UHFFFAOYSA-N -1 3 284.693 3.009 20 0 CGADHM Cc1ccc(O)cc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000816896479 632059395 /nfs/dbraw/zinc/05/93/95/632059395.db2.gz KUTMQVHEYKASQA-UHFFFAOYSA-N -1 3 277.707 3.312 20 0 CGADHM O=C(CCSc1cccc(Cl)c1)[N-]OCC1CC1 ZINC000817330521 632123680 /nfs/dbraw/zinc/12/36/80/632123680.db2.gz MNRIBFJVLFWRRJ-UHFFFAOYSA-N -1 3 285.796 3.280 20 0 CGADHM Cc1ccc(SCCC(=O)[N-]OCCC2CC2)cc1 ZINC000817387857 632135810 /nfs/dbraw/zinc/13/58/10/632135810.db2.gz GYYCQZWBNQGBTD-UHFFFAOYSA-N -1 3 279.405 3.325 20 0 CGADHM CC(C)(C)SCCCC(=O)[N-]OCCC1CC1 ZINC000817421190 632136078 /nfs/dbraw/zinc/13/60/78/632136078.db2.gz RIZJQAIUJJOSDB-UHFFFAOYSA-N -1 3 259.415 3.146 20 0 CGADHM C[C@@H](NC(=O)c1ccc(N)cc1[O-])C(C)(C)c1ccccc1 ZINC000817932110 632236581 /nfs/dbraw/zinc/23/65/81/632236581.db2.gz QAHQJTYAGGFYCN-GFCCVEGCSA-N -1 3 298.386 3.071 20 0 CGADHM CC[C@H](C)[C@@H]1CCCCN1C(=O)c1ccc(N)cc1[O-] ZINC000817950825 632247409 /nfs/dbraw/zinc/24/74/09/632247409.db2.gz ZVFXWAUJSBTCTE-FZMZJTMJSA-N -1 3 276.380 3.015 20 0 CGADHM CCC[C@@H](CC)C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000822939373 633041269 /nfs/dbraw/zinc/04/12/69/633041269.db2.gz MLMVBRXCLIJNEH-LLVKDONJSA-N -1 3 263.337 3.360 20 0 CGADHM CC(C)c1ccc(CN[C@@H](C(=O)[O-])c2cccnc2)cc1 ZINC000827124148 633461494 /nfs/dbraw/zinc/46/14/94/633461494.db2.gz JUFSUYURAAJGBU-MRXNPFEDSA-N -1 3 284.359 3.121 20 0 CGADHM CS[C@H]1C[C@H](NC(=O)c2cc3sccc3c([O-])c2)C1 ZINC000871094972 633702379 /nfs/dbraw/zinc/70/23/79/633702379.db2.gz CMSZFCUZIJJGLV-MGCOHNPYSA-N -1 3 293.413 3.231 20 0 CGADHM C[C@H]1CCC[C@@]1(C)C(=O)[N-]OCc1ccc(F)cc1 ZINC000829219125 633713971 /nfs/dbraw/zinc/71/39/71/633713971.db2.gz MPHWRRSXEAZWAW-XHDPSFHLSA-N -1 3 265.328 3.200 20 0 CGADHM Cc1ccc(F)c(CC(=O)[N-]OCCCC(F)(F)F)c1 ZINC000871216657 633730003 /nfs/dbraw/zinc/73/00/03/633730003.db2.gz ARFVXEIGEJCLPY-UHFFFAOYSA-N -1 3 293.260 3.067 20 0 CGADHM COC(C)(C)CCNC(=O)c1cc([O-])c2ccccc2c1 ZINC000871257505 633738708 /nfs/dbraw/zinc/73/87/08/633738708.db2.gz GZIHTPZCGKPNRE-UHFFFAOYSA-N -1 3 287.359 3.090 20 0 CGADHM CCCC[C@](C)(F)C(=O)Nc1cccc([O-])c1F ZINC000831395324 633951939 /nfs/dbraw/zinc/95/19/39/633951939.db2.gz SNUHBSZRZMPCPH-ZDUSSCGKSA-N -1 3 257.280 3.388 20 0 CGADHM C[C@@H]1CN(Cc2cc(C(=O)[O-])cs2)C[C@@H](C)C1(F)F ZINC000872160281 634071130 /nfs/dbraw/zinc/07/11/30/634071130.db2.gz CEGPKNLHRMBYGV-RKDXNWHRSA-N -1 3 289.347 3.169 20 0 CGADHM O=C(c1cc2sccc2c([O-])c1)N1CC[C@H]1C1CC1 ZINC000834319130 634140803 /nfs/dbraw/zinc/14/08/03/634140803.db2.gz QJSWNUXEDMNYLZ-LBPRGKRZSA-N -1 3 273.357 3.231 20 0 CGADHM CC[C@H](CC(=O)OCc1cc(=O)[n-]c(C2CC2)n1)C(C)C ZINC000837505149 634922274 /nfs/dbraw/zinc/92/22/74/634922274.db2.gz GBVJIXAXSJLHBB-LLVKDONJSA-N -1 3 292.379 3.175 20 0 CGADHM C[C@H]1CC[C@@](C)(C(=O)[N-]OCCC(F)(F)F)C1(C)C ZINC000837548266 634930854 /nfs/dbraw/zinc/93/08/54/634930854.db2.gz BDMBZXFOWFUPRK-CABZTGNLSA-N -1 3 281.318 3.449 20 0 CGADHM O=C([O-])C[C@H](NCc1cc(Cl)sc1Cl)C1CC1 ZINC000841803568 635237234 /nfs/dbraw/zinc/23/72/34/635237234.db2.gz SFDISRGOBFOHQS-QMMMGPOBSA-N -1 3 294.203 3.398 20 0 CGADHM CC(C)(C)CC(=O)[N-]OCc1cccc(OC(C)(C)C)n1 ZINC000842062131 635271080 /nfs/dbraw/zinc/27/10/80/635271080.db2.gz YJTHWDVELLOLOD-UHFFFAOYSA-N -1 3 294.395 3.243 20 0 CGADHM CC(C)(C)CC(=O)[N-]OCc1cc(-c2ccccc2)no1 ZINC000842063043 635272084 /nfs/dbraw/zinc/27/20/84/635272084.db2.gz HYHVQXDETQPVSL-UHFFFAOYSA-N -1 3 288.347 3.326 20 0 CGADHM CC(C)(CC(=O)NCc1ccc([O-])c(F)c1)CC(F)F ZINC000878912640 635655254 /nfs/dbraw/zinc/65/52/54/635655254.db2.gz JGEYRLDNLFNEEX-UHFFFAOYSA-N -1 3 289.297 3.219 20 0 CGADHM [O-]C(=NO[C@H]1CCCCO1)Nc1ccc(C2CC2)cc1F ZINC000880746514 636045264 /nfs/dbraw/zinc/04/52/64/636045264.db2.gz MYXOSXPAUIHLIU-AWEZNQCLSA-N -1 3 294.326 3.283 20 0 CGADHM O=C([N-]O[C@H]1CCCCO1)Nc1ccc(C2CC2)cc1F ZINC000880746514 636045265 /nfs/dbraw/zinc/04/52/65/636045265.db2.gz MYXOSXPAUIHLIU-AWEZNQCLSA-N -1 3 294.326 3.283 20 0 CGADHM Cc1cccc([O-])c1C(=O)NCC(C)(C)CC(F)F ZINC000881537970 636136624 /nfs/dbraw/zinc/13/66/24/636136624.db2.gz LJNUJJOXBVKSML-UHFFFAOYSA-N -1 3 271.307 3.112 20 0 CGADHM CCOC(=O)c1c(C)[n-]c(=O)nc1S[C@H](C)CC(C)C ZINC000882292484 636303942 /nfs/dbraw/zinc/30/39/42/636303942.db2.gz FQOMQINSDITBES-SECBINFHSA-N -1 3 298.408 3.194 20 0 CGADHM O=C(OCCSc1ccccc1)c1ccc([O-])cc1 ZINC000213405716 636455333 /nfs/dbraw/zinc/45/53/33/636455333.db2.gz XSUZSGNBXYSXBP-UHFFFAOYSA-N -1 3 274.341 3.341 20 0 CGADHM CC[C@]1(C(=O)[O-])CCCN(Cc2c(F)cccc2F)C1 ZINC000086784909 636785340 /nfs/dbraw/zinc/78/53/40/636785340.db2.gz AWGKKTPSNSPANB-HNNXBMFYSA-N -1 3 283.318 3.042 20 0 CGADHM CC[C@@H](COC(=O)c1ccc([O-])cc1)CC(F)F ZINC000849628548 636833153 /nfs/dbraw/zinc/83/31/53/636833153.db2.gz ODWKTALKPRMHBX-SECBINFHSA-N -1 3 258.264 3.230 20 0 CGADHM O=C(CCc1ccccc1Cl)[N-]OC1CCCC1 ZINC000135134466 637091857 /nfs/dbraw/zinc/09/18/57/637091857.db2.gz YGECBKCMMHFBCR-UHFFFAOYSA-N -1 3 267.756 3.263 20 0 CGADHM O=C(CCCc1ccccc1)[N-]OCC1CC=CC1 ZINC000853664273 637885917 /nfs/dbraw/zinc/88/59/17/637885917.db2.gz PPSDVEGDAVWESP-UHFFFAOYSA-N -1 3 259.349 3.023 20 0 CGADHM Cc1cc(-c2ccc(=O)[n-]c2F)ccc1N1CCCC1=O ZINC000854189541 638011824 /nfs/dbraw/zinc/01/18/24/638011824.db2.gz LVJMYHHSXILVDJ-UHFFFAOYSA-N -1 3 286.306 3.029 20 0 CGADHM CCCC[C@@](C)(F)C(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000854583958 638073637 /nfs/dbraw/zinc/07/36/37/638073637.db2.gz QTGDHMJYDMLEHX-CQSZACIVSA-N -1 3 279.315 3.125 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)CC[C@H]1CC1(Cl)Cl ZINC000854603316 638076663 /nfs/dbraw/zinc/07/66/63/638076663.db2.gz VYECWNLSHFPONN-IUCAKERBSA-N -1 3 268.184 3.054 20 0 CGADHM COCC1(NC(=O)c2cc([O-])c3ccccc3c2)CCCC1 ZINC000855217895 638159782 /nfs/dbraw/zinc/15/97/82/638159782.db2.gz KOLZOGOVPWSFEM-UHFFFAOYSA-N -1 3 299.370 3.234 20 0 CGADHM COc1ccc([C@@H](C)CC(=O)[N-]OCC2CCC2)cc1 ZINC000856347815 638347184 /nfs/dbraw/zinc/34/71/84/638347184.db2.gz DSTFWNYZJLBXAY-LBPRGKRZSA-N -1 3 277.364 3.037 20 0 CGADHM O=C(CCCc1cc(F)ccc1F)[N-]OCC1CCC1 ZINC000856348264 638348786 /nfs/dbraw/zinc/34/87/86/638348786.db2.gz BIBKJVSANCCCDY-UHFFFAOYSA-N -1 3 283.318 3.135 20 0 CGADHM CCCC[C@@](C)(F)C(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC000857153583 638463789 /nfs/dbraw/zinc/46/37/89/638463789.db2.gz HSDBHVSPDBRRHD-CQSZACIVSA-N -1 3 294.330 3.230 20 0 CGADHM Cc1nnc([C@@H](C)N[C@H](C)c2cc([O-])cc(F)c2)s1 ZINC000926166920 638728576 /nfs/dbraw/zinc/72/85/76/638728576.db2.gz XJAHNSQPOCKQJI-HTQZYQBOSA-N -1 3 281.356 3.103 20 0 CGADHM COc1cccc(C(=O)Nc2c(C)noc2C(C)C)c1[O-] ZINC000928790046 638892482 /nfs/dbraw/zinc/89/24/82/638892482.db2.gz SAVIMJQWATXRPE-UHFFFAOYSA-N -1 3 290.319 3.073 20 0 CGADHM Cc1nsc([N-]C(=O)c2cnc(CC(C)(C)C)s2)n1 ZINC000933734859 639484564 /nfs/dbraw/zinc/48/45/64/639484564.db2.gz XOZMAXMTJPRXDB-UHFFFAOYSA-N -1 3 296.421 3.144 20 0 CGADHM O=C(Nc1ccc(Cl)cc1[O-])[C@@]12CCO[C@@H]1CCCC2 ZINC000935099430 639747987 /nfs/dbraw/zinc/74/79/87/639747987.db2.gz JERQEBDVXUCWNG-HIFRSBDPSA-N -1 3 295.766 3.333 20 0 CGADHM CC(C)c1cccc(NC([O-])=NO[C@@H]2CCCCO2)c1 ZINC000155589307 639941317 /nfs/dbraw/zinc/94/13/17/639941317.db2.gz JTZJNZLHBHWWRA-CQSZACIVSA-N -1 3 278.352 3.390 20 0 CGADHM CC(C)c1cccc(NC(=O)[N-]O[C@@H]2CCCCO2)c1 ZINC000155589307 639941323 /nfs/dbraw/zinc/94/13/23/639941323.db2.gz JTZJNZLHBHWWRA-CQSZACIVSA-N -1 3 278.352 3.390 20 0 CGADHM [O-]c1ccc(Cl)c(F)c1CN[C@H](CO)c1ccccc1 ZINC000191082190 640287510 /nfs/dbraw/zinc/28/75/10/640287510.db2.gz FZIMMVOMSONYBQ-CYBMUJFWSA-N -1 3 295.741 3.008 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2ccc(O)cc2CC)c1 ZINC000191071590 640288176 /nfs/dbraw/zinc/28/81/76/640288176.db2.gz NYUXDIJPZIDTIX-UHFFFAOYSA-N -1 3 285.343 3.475 20 0 CGADHM COc1ccccc1[C@H](C)NCc1cc(C(=O)[O-])cs1 ZINC000095004360 640807249 /nfs/dbraw/zinc/80/72/49/640807249.db2.gz NOYHDHJLNAKDDD-JTQLQIEISA-N -1 3 291.372 3.306 20 0 CGADHM [O-]c1cnccc1-c1nc2ccccc2n1CC1CC1 ZINC001250857641 805790208 /nfs/dbraw/zinc/79/02/08/805790208.db2.gz HWKLLOKSESTQEL-UHFFFAOYSA-N -1 3 265.316 3.214 20 0 CGADHM [O-]c1c(Cl)cc(Cl)cc1NC[C@@H](O)C(F)(F)F ZINC001250981122 805815678 /nfs/dbraw/zinc/81/56/78/805815678.db2.gz OJBBYIQLUDLSNR-SSDOTTSWSA-N -1 3 290.068 3.034 20 0 CGADHM COc1cccc(Cl)c1[N-]S(=O)(=O)c1ccccc1 ZINC001251148809 805854645 /nfs/dbraw/zinc/85/46/45/805854645.db2.gz APYTVJKXUWWXPD-UHFFFAOYSA-N -1 3 297.763 3.149 20 0 CGADHM [O-]c1cccc(-c2nc3cc(F)c(F)cc3[nH]2)c1F ZINC001251255739 805873331 /nfs/dbraw/zinc/87/33/31/805873331.db2.gz WLSQWQKKOOMEHT-UHFFFAOYSA-N -1 3 264.206 3.353 20 0 CGADHM [O-]c1cccc(-c2nc3c([nH]2)c(F)cc(F)c3F)c1F ZINC001251255706 805874385 /nfs/dbraw/zinc/87/43/85/805874385.db2.gz UYOWTXDQCSTVKZ-UHFFFAOYSA-N -1 3 282.196 3.492 20 0 CGADHM CCC[C@@H](NC(=O)c1ccc(O)cc1[O-])C(C)(C)C ZINC001158429026 805953518 /nfs/dbraw/zinc/95/35/18/805953518.db2.gz CMCDNJBVWNWCDX-CYBMUJFWSA-N -1 3 265.353 3.042 20 0 CGADHM CC[C@@H](C)c1nc2[nH]ccc2c(NCc2ncccc2[O-])n1 ZINC001158776246 806000856 /nfs/dbraw/zinc/00/08/56/806000856.db2.gz UBYKKFKKZBUTQM-SNVBAGLBSA-N -1 3 297.362 3.184 20 0 CGADHM C[C@@H]([N-]C(=O)C(F)(F)c1ccc(Cl)cc1)c1ncc[nH]1 ZINC001159465633 806107457 /nfs/dbraw/zinc/10/74/57/806107457.db2.gz TWNRBROBLWFJIT-MRVPVSSYSA-N -1 3 299.708 3.032 20 0 CGADHM CC1(C)[C@H](C(=O)[N-]OCCC2CC2)[C@H]1c1ccccc1 ZINC001159486631 806111969 /nfs/dbraw/zinc/11/19/69/806111969.db2.gz XHIZALBYHAJKHV-CABCVRRESA-N -1 3 273.376 3.274 20 0 CGADHM FC(F)(F)c1ncc(-c2nnc(-c3ccccc3)o2)[n-]1 ZINC001253113756 806173672 /nfs/dbraw/zinc/17/36/72/806173672.db2.gz HNPBWNBJNJTZER-UHFFFAOYSA-N -1 3 280.209 3.146 20 0 CGADHM FC(F)(F)c1nc(-c2nnc(-c3ccccc3)o2)c[n-]1 ZINC001253113756 806173677 /nfs/dbraw/zinc/17/36/77/806173677.db2.gz HNPBWNBJNJTZER-UHFFFAOYSA-N -1 3 280.209 3.146 20 0 CGADHM Cc1cc(O)cc([O-])c1-c1nnc(-c2ccccc2)o1 ZINC001253137986 806179770 /nfs/dbraw/zinc/17/97/70/806179770.db2.gz DVUTUFMVPOUNJG-UHFFFAOYSA-N -1 3 268.272 3.123 20 0 CGADHM CCCCC[C@@H](O)CNc1cc([O-])c(F)cc1F ZINC001253543588 806244325 /nfs/dbraw/zinc/24/43/25/806244325.db2.gz FOGOMFJRVIRWGS-SECBINFHSA-N -1 3 259.296 3.024 20 0 CGADHM O=C(NCC1CCCCCCC1)c1c([O-])cccc1O ZINC001160604857 806288920 /nfs/dbraw/zinc/28/89/20/806288920.db2.gz BSZMKSUTCNYEOH-UHFFFAOYSA-N -1 3 277.364 3.188 20 0 CGADHM Cc1cccc2c(=O)c(C(=O)Nc3ccsc3)c[n-]c12 ZINC001160836761 806309739 /nfs/dbraw/zinc/30/97/39/806309739.db2.gz NIJAEOBSRRIBJK-UHFFFAOYSA-N -1 3 284.340 3.150 20 0 CGADHM [O-]c1cc(Cl)ccc1-n1cc(CC2CCCC2)nn1 ZINC001254165195 806356206 /nfs/dbraw/zinc/35/62/06/806356206.db2.gz QCNPKLYDFBEPOO-UHFFFAOYSA-N -1 3 277.755 3.359 20 0 CGADHM COc1ccc(C(=O)[O-])cc1CN1CCCC(C)(C)C1 ZINC000070259917 798915958 /nfs/dbraw/zinc/91/59/58/798915958.db2.gz SWILMTABCZWKPT-UHFFFAOYSA-N -1 3 277.364 3.015 20 0 CGADHM C[C@]1(C(=O)[O-])CCCN(Cc2cc(F)cc(Cl)c2)C1 ZINC000161389612 799079370 /nfs/dbraw/zinc/07/93/70/799079370.db2.gz ZPZAUQFMFJRDCX-AWEZNQCLSA-N -1 3 285.746 3.166 20 0 CGADHM CCCCC[C@@H](C)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC000315296455 799235455 /nfs/dbraw/zinc/23/54/55/799235455.db2.gz IHGGBNUJIFHKHF-ZJUUUORDSA-N -1 3 270.398 3.461 20 0 CGADHM C[C@H](NC1CCC(F)(F)CC1)c1ncc(C(=O)[O-])s1 ZINC000315421693 799236257 /nfs/dbraw/zinc/23/62/57/799236257.db2.gz WUXIANHZPNDCOE-ZETCQYMHSA-N -1 3 290.335 3.070 20 0 CGADHM CC[C@H](NC(=O)c1ccc(OC)cc1[O-])C1CCCC1 ZINC000382818708 799398610 /nfs/dbraw/zinc/39/86/10/799398610.db2.gz IJQZKRNZBYEMRF-AWEZNQCLSA-N -1 3 277.364 3.099 20 0 CGADHM CC[C@@H]1CC[C@H](C)N(C(=O)c2c([O-])cccc2OC)C1 ZINC000405211681 799582675 /nfs/dbraw/zinc/58/26/75/799582675.db2.gz IHMQQCIVBVYQRQ-NWDGAFQWSA-N -1 3 277.364 3.052 20 0 CGADHM Cc1cc(Cl)cc(CN2CCC3(C[C@@H]3C(=O)[O-])CC2)c1 ZINC000405413085 799585109 /nfs/dbraw/zinc/58/51/09/799585109.db2.gz WGXCBYWZQJJJGJ-CQSZACIVSA-N -1 3 293.794 3.335 20 0 CGADHM Cc1ccccc1-c1noc(-c2cc3c(cc2[O-])OCO3)n1 ZINC000436889460 799612601 /nfs/dbraw/zinc/61/26/01/799612601.db2.gz BYRLMYMEVDBRFZ-UHFFFAOYSA-N -1 3 296.282 3.146 20 0 CGADHM CCc1ccc(C(=O)N2CC=C(c3ccccc3)C2)c([O-])c1 ZINC000436846456 799612617 /nfs/dbraw/zinc/61/26/17/799612617.db2.gz XGFLUOGIXJEIMA-UHFFFAOYSA-N -1 3 293.366 3.494 20 0 CGADHM CC1(C)CC[C@H]1NC(=O)c1cc([O-])cc(Br)c1 ZINC000700840941 799881502 /nfs/dbraw/zinc/88/15/02/799881502.db2.gz CAYMVNSHGJBWOO-LLVKDONJSA-N -1 3 298.180 3.073 20 0 CGADHM C[C@]1(C(F)(F)F)CCN(Cc2ccsc2C(=O)[O-])C1 ZINC000708930587 800001025 /nfs/dbraw/zinc/00/10/25/800001025.db2.gz XHNCROWUSZRVJJ-NSHDSACASA-N -1 3 293.310 3.221 20 0 CGADHM C[C@H](CC1CCCC1)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC000712524349 800092782 /nfs/dbraw/zinc/09/27/82/800092782.db2.gz RMBYAASDRZUDHF-NXEZZACHSA-N -1 3 282.409 3.461 20 0 CGADHM CCCCCc1nnc(-c2c([O-])cc(C)cc2O)o1 ZINC001256136024 806832259 /nfs/dbraw/zinc/83/22/59/806832259.db2.gz DLCQXBIZJNDARF-UHFFFAOYSA-N -1 3 262.309 3.189 20 0 CGADHM CC1CC(N(C)C(F)(F)c2cc(Cl)nc(=S)[n-]2)C1 ZINC001164199903 806913897 /nfs/dbraw/zinc/91/38/97/806913897.db2.gz REYZWOIVMDTVAI-UHFFFAOYSA-N -1 3 293.770 3.198 20 0 CGADHM C[C@@H]1C[C@@H]1c1nnc(-c2cc3cc(O)ccc3cc2[O-])o1 ZINC001256635414 806934158 /nfs/dbraw/zinc/93/41/58/806934158.db2.gz RUEOOPVIJOSXLT-PELKAZGASA-N -1 3 282.299 3.424 20 0 CGADHM Cc1cc(NCCCc2c[n-][nH]c2=O)cc(C(C)(C)C)c1 ZINC001164396650 806944546 /nfs/dbraw/zinc/94/45/46/806944546.db2.gz SZXQXFAFVCUMQZ-ZDUSSCGKSA-N -1 3 287.407 3.216 20 0 CGADHM Cc1cnc2ccccc2c1N1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC001118176765 802533840 /nfs/dbraw/zinc/53/38/40/802533840.db2.gz IBKFLRSEKNVGOF-SMDDNHRTSA-N -1 3 284.359 3.090 20 0 CGADHM FC(F)(F)c1cc(-c2ccc3c(c2)NCC3)nc(=S)[n-]1 ZINC001244015838 803141443 /nfs/dbraw/zinc/14/14/43/803141443.db2.gz JIKCFCDCLDSSFN-UHFFFAOYSA-N -1 3 297.305 3.419 20 0 CGADHM [O-]c1cccc(Cl)c1-c1cnc(OCC2CC2)nc1 ZINC001244047397 803159506 /nfs/dbraw/zinc/15/95/06/803159506.db2.gz DXDDGBKWKGMALK-UHFFFAOYSA-N -1 3 276.723 3.291 20 0 CGADHM Fc1ccc(C2CC2)c(F)c1-c1cncc(-c2nnn[n-]2)c1 ZINC001244086499 803177770 /nfs/dbraw/zinc/17/77/70/803177770.db2.gz YDBMTHFQTQLNJP-UHFFFAOYSA-N -1 3 299.284 3.084 20 0 CGADHM Fc1ccc(C2CC2)c(F)c1-c1cncc(-c2nn[n-]n2)c1 ZINC001244086499 803177774 /nfs/dbraw/zinc/17/77/74/803177774.db2.gz YDBMTHFQTQLNJP-UHFFFAOYSA-N -1 3 299.284 3.084 20 0 CGADHM COCc1ccc(C)c(-c2cc(-c3nnn[n-]3)ccc2F)c1 ZINC001244170953 803221913 /nfs/dbraw/zinc/22/19/13/803221913.db2.gz FRRBJFBAAVMQQQ-UHFFFAOYSA-N -1 3 298.321 3.128 20 0 CGADHM COCc1ccc(C)c(-c2cc(-c3nn[n-]n3)ccc2F)c1 ZINC001244170953 803221914 /nfs/dbraw/zinc/22/19/14/803221914.db2.gz FRRBJFBAAVMQQQ-UHFFFAOYSA-N -1 3 298.321 3.128 20 0 CGADHM Cc1cc2cc(-c3ccc(F)c(-c4nnn[n-]4)c3)ccc2[nH]1 ZINC001244242394 803259363 /nfs/dbraw/zinc/25/93/63/803259363.db2.gz CVBYRPQNONVZNY-UHFFFAOYSA-N -1 3 293.305 3.463 20 0 CGADHM Cc1cc2cc(-c3ccc(F)c(-c4nn[n-]n4)c3)ccc2[nH]1 ZINC001244242394 803259367 /nfs/dbraw/zinc/25/93/67/803259367.db2.gz CVBYRPQNONVZNY-UHFFFAOYSA-N -1 3 293.305 3.463 20 0 CGADHM CC(C)c1cc(-c2ccc(-c3nnn[n-]3)cc2)ccc1N ZINC001244331229 803308468 /nfs/dbraw/zinc/30/84/68/803308468.db2.gz DMLOQZLUZXCXBE-UHFFFAOYSA-N -1 3 279.347 3.239 20 0 CGADHM CC(C)c1cc(-c2ccc(-c3nn[n-]n3)cc2)ccc1N ZINC001244331229 803308472 /nfs/dbraw/zinc/30/84/72/803308472.db2.gz DMLOQZLUZXCXBE-UHFFFAOYSA-N -1 3 279.347 3.239 20 0 CGADHM Cc1cnc(-c2cc(OC(F)(F)F)ccc2[O-])c(C)n1 ZINC001244456215 803378653 /nfs/dbraw/zinc/37/86/53/803378653.db2.gz MTASLSJTDVTPTB-UHFFFAOYSA-N -1 3 284.237 3.365 20 0 CGADHM [O-]c1cc(OC(F)(F)F)ccc1-c1nccc2[nH]cnc21 ZINC001244463066 803381267 /nfs/dbraw/zinc/38/12/67/803381267.db2.gz DTMJAZSILIIHSP-UHFFFAOYSA-N -1 3 295.220 3.229 20 0 CGADHM Cc1cc(-c2nccc3ncccc32)cc([O-])c1F ZINC001244496845 803403680 /nfs/dbraw/zinc/40/36/80/803403680.db2.gz WQDNDNRFOPUDCE-UHFFFAOYSA-N -1 3 254.264 3.450 20 0 CGADHM Cc1cc(-c2cc(-n3ccnc3)ccn2)cc([O-])c1F ZINC001244508322 803411424 /nfs/dbraw/zinc/41/14/24/803411424.db2.gz QZBPTOYGFMQQEU-UHFFFAOYSA-N -1 3 269.279 3.087 20 0 CGADHM Cc1cc(-c2cc(C)c(F)c([O-])c2)c2nccn2c1 ZINC001244515275 803413351 /nfs/dbraw/zinc/41/33/51/803413351.db2.gz IIFRMVCYUHXJJE-UHFFFAOYSA-N -1 3 256.280 3.463 20 0 CGADHM Cc1cc(-c2nc(F)c(F)cc2F)cc([O-])c1F ZINC001244515263 803413803 /nfs/dbraw/zinc/41/38/03/803413803.db2.gz HRHMUCMXAMZHLC-UHFFFAOYSA-N -1 3 257.186 3.319 20 0 CGADHM Cc1cc(-c2ccc3c(c2)CCC(=O)N3)cc([O-])c1F ZINC001244519119 803415262 /nfs/dbraw/zinc/41/52/62/803415262.db2.gz WPHQTXAPRMEMNT-UHFFFAOYSA-N -1 3 271.291 3.391 20 0 CGADHM Cc1cc(-c2ccn(CC3CC3)c(=O)c2)cc([O-])c1F ZINC001244526264 803419854 /nfs/dbraw/zinc/41/98/54/803419854.db2.gz VOHKBHDXAAPABR-UHFFFAOYSA-N -1 3 273.307 3.078 20 0 CGADHM COc1nccc(-c2cc(C)c([O-])c(Cl)c2)c1N ZINC001244538051 803425467 /nfs/dbraw/zinc/42/54/67/803425467.db2.gz JITBORXCDKNSJK-UHFFFAOYSA-N -1 3 264.712 3.007 20 0 CGADHM Cc1cc(-c2ccc3c(c2)CC(=O)NC3)cc(Cl)c1[O-] ZINC001244553119 803434734 /nfs/dbraw/zinc/43/47/34/803434734.db2.gz DDGVZXPCXGVQFZ-UHFFFAOYSA-N -1 3 287.746 3.193 20 0 CGADHM Cc1cc(Cl)c(N)c(-c2ccc(Cc3nnn[n-]3)cc2)c1 ZINC001244585932 803455172 /nfs/dbraw/zinc/45/51/72/803455172.db2.gz KICJHSJPQRHDAP-UHFFFAOYSA-N -1 3 299.765 3.002 20 0 CGADHM Cc1cc(Cl)c(N)c(-c2ccc(Cc3nn[n-]n3)cc2)c1 ZINC001244585932 803455176 /nfs/dbraw/zinc/45/51/76/803455176.db2.gz KICJHSJPQRHDAP-UHFFFAOYSA-N -1 3 299.765 3.002 20 0 CGADHM CCOc1ccc(C)c(-c2cc(F)cc(-c3nnn[n-]3)c2)c1 ZINC001244874478 803558197 /nfs/dbraw/zinc/55/81/97/803558197.db2.gz TXTAPYLEUJHFRO-UHFFFAOYSA-N -1 3 298.321 3.380 20 0 CGADHM CCOc1ccc(C)c(-c2cc(F)cc(-c3nn[n-]n3)c2)c1 ZINC001244874478 803558200 /nfs/dbraw/zinc/55/82/00/803558200.db2.gz TXTAPYLEUJHFRO-UHFFFAOYSA-N -1 3 298.321 3.380 20 0 CGADHM COc1cc(C)c(C)cc1-c1cccc(-c2nnn[n-]2)c1 ZINC001245023333 803614936 /nfs/dbraw/zinc/61/49/36/803614936.db2.gz MTSQYEJCABVMMW-UHFFFAOYSA-N -1 3 280.331 3.159 20 0 CGADHM COc1cc(C)c(C)cc1-c1cccc(-c2nn[n-]n2)c1 ZINC001245023333 803614938 /nfs/dbraw/zinc/61/49/38/803614938.db2.gz MTSQYEJCABVMMW-UHFFFAOYSA-N -1 3 280.331 3.159 20 0 CGADHM Cc1nc2c(-c3cc(Cl)ccc3[O-])cccn2n1 ZINC001245051482 803623260 /nfs/dbraw/zinc/62/32/60/803623260.db2.gz ZFHCPJDRURKOGG-UHFFFAOYSA-N -1 3 259.696 3.064 20 0 CGADHM O=c1c(-c2cc(Cl)ccc2[O-])ccnn1-c1ccccc1 ZINC001245052140 803623653 /nfs/dbraw/zinc/62/36/53/803623653.db2.gz CHEXDGYDPPHUJX-UHFFFAOYSA-N -1 3 298.729 3.259 20 0 CGADHM COCCOc1cncc(-c2cc(Cl)ccc2[O-])c1 ZINC001245052723 803624119 /nfs/dbraw/zinc/62/41/19/803624119.db2.gz KPHRYJJANLWETC-UHFFFAOYSA-N -1 3 279.723 3.133 20 0 CGADHM Cc1cc(-c2ccc([O-])cc2Cl)nc(-c2ncccn2)n1 ZINC001245077794 803633968 /nfs/dbraw/zinc/63/39/68/803633968.db2.gz DPXOTXZGAOBPEA-UHFFFAOYSA-N -1 3 298.733 3.268 20 0 CGADHM CCc1nc(-c2ccc([O-])cc2Cl)ncc1F ZINC001245077943 803634147 /nfs/dbraw/zinc/63/41/47/803634147.db2.gz KAAYWBGSENQGBN-UHFFFAOYSA-N -1 3 252.676 3.204 20 0 CGADHM CCN(C)c1cc(C)nc(-c2ccc([O-])cc2Cl)n1 ZINC001245079972 803635319 /nfs/dbraw/zinc/63/53/19/803635319.db2.gz GHPTUKDHPQASHW-UHFFFAOYSA-N -1 3 277.755 3.267 20 0 CGADHM [O-]c1ccc(-c2nccc(N3CCCCC3)n2)c(Cl)c1 ZINC001245079992 803635482 /nfs/dbraw/zinc/63/54/82/803635482.db2.gz VOMWNIGTUVNSEN-UHFFFAOYSA-N -1 3 289.766 3.493 20 0 CGADHM CCOC(=O)c1cccnc1-c1ccc([O-])cc1Cl ZINC001245081605 803636726 /nfs/dbraw/zinc/63/67/26/803636726.db2.gz ITXNOXGIJJXAAP-UHFFFAOYSA-N -1 3 277.707 3.284 20 0 CGADHM [O-]c1ccc(-c2ncnc3cnc(F)cc32)c(Cl)c1 ZINC001245082129 803636774 /nfs/dbraw/zinc/63/67/74/803636774.db2.gz UHOMHXVJVYDMOE-UHFFFAOYSA-N -1 3 275.670 3.190 20 0 CGADHM CCO[C@H]1C[C@H](NC(=O)c2ccccc2[O-])C1(CC)CC ZINC001137062659 803678005 /nfs/dbraw/zinc/67/80/05/803678005.db2.gz DKRQWNDGFSECJQ-GJZGRUSLSA-N -1 3 291.391 3.106 20 0 CGADHM CC(C)CNC(=S)Nc1ccc(C(F)(F)F)cc1[O-] ZINC001245245214 803678222 /nfs/dbraw/zinc/67/82/22/803678222.db2.gz LPONUYCPJPSWBS-UHFFFAOYSA-N -1 3 292.326 3.353 20 0 CGADHM Nc1ccc2cc(-c3ccc(=S)[n-]n3)ccc2c1 ZINC001245367041 803715936 /nfs/dbraw/zinc/71/59/36/803715936.db2.gz JRKZRZAFJNOZDR-UHFFFAOYSA-N -1 3 253.330 3.168 20 0 CGADHM CCC(CC)[C@@H](CCNC(=O)c1ccc(C)cc1[O-])OC ZINC001137689787 803759619 /nfs/dbraw/zinc/75/96/19/803759619.db2.gz DIMCIYCLAAGJOF-MRXNPFEDSA-N -1 3 293.407 3.272 20 0 CGADHM [O-]c1ccc(Nc2nccnc2C2CC2)c(F)c1F ZINC001211997939 814964751 /nfs/dbraw/zinc/96/47/51/814964751.db2.gz SZFXUAGDGDMBLQ-UHFFFAOYSA-N -1 3 263.247 3.081 20 0 CGADHM Cc1cc(-c2nnn[n-]2)ccc1-c1ccc(N)cc1Cl ZINC001245507762 803778723 /nfs/dbraw/zinc/77/87/23/803778723.db2.gz FHOPZZAQGGOVOW-UHFFFAOYSA-N -1 3 285.738 3.078 20 0 CGADHM Cc1cc(-c2nn[n-]n2)ccc1-c1ccc(N)cc1Cl ZINC001245507762 803778726 /nfs/dbraw/zinc/77/87/26/803778726.db2.gz FHOPZZAQGGOVOW-UHFFFAOYSA-N -1 3 285.738 3.078 20 0 CGADHM COC(=O)c1cc(F)ccc1Nc1ccc([O-])c(F)c1F ZINC001212008756 814966542 /nfs/dbraw/zinc/96/65/42/814966542.db2.gz CFDZYSYKKCEAPE-UHFFFAOYSA-N -1 3 297.232 3.340 20 0 CGADHM COC(=O)c1cc(Nc2ccc([O-])c(F)c2F)ccc1F ZINC001212009488 814967225 /nfs/dbraw/zinc/96/72/25/814967225.db2.gz QTEPCSALFMMXHL-UHFFFAOYSA-N -1 3 297.232 3.340 20 0 CGADHM O=C(Cc1cnccc1Cl)Nc1ccc(Cl)cc1[O-] ZINC001138014831 803825879 /nfs/dbraw/zinc/82/58/79/803825879.db2.gz DRHFJMZOUZJGCB-UHFFFAOYSA-N -1 3 297.141 3.275 20 0 CGADHM Fc1ccc2cc(-c3cc(-c4nnn[n-]4)ccc3F)[nH]c2c1 ZINC001245590925 803837497 /nfs/dbraw/zinc/83/74/97/803837497.db2.gz WYMDRMZHYKIQAC-UHFFFAOYSA-N -1 3 297.268 3.293 20 0 CGADHM Fc1ccc2cc(-c3cc(-c4nn[n-]n4)ccc3F)[nH]c2c1 ZINC001245590925 803837505 /nfs/dbraw/zinc/83/75/05/803837505.db2.gz WYMDRMZHYKIQAC-UHFFFAOYSA-N -1 3 297.268 3.293 20 0 CGADHM CCC[C@H](CC(C)C)C(=O)Nc1ncccc1[O-] ZINC001138164777 803868067 /nfs/dbraw/zinc/86/80/67/803868067.db2.gz FVDYYHVSUKJWKO-LLVKDONJSA-N -1 3 250.342 3.188 20 0 CGADHM CN(C)Cc1ccc(-c2cc(Cl)c([O-])cc2F)nc1 ZINC001245669121 803899020 /nfs/dbraw/zinc/89/90/20/803899020.db2.gz LZBLGYPYDULDCY-UHFFFAOYSA-N -1 3 280.730 3.308 20 0 CGADHM Cc1cc(-c2nnn[n-]2)ccc1-c1ccc(F)c(C)c1F ZINC001245695600 803916197 /nfs/dbraw/zinc/91/61/97/803916197.db2.gz WKTSQPFTGYFUHN-UHFFFAOYSA-N -1 3 286.285 3.429 20 0 CGADHM Cc1cc(-c2nn[n-]n2)ccc1-c1ccc(F)c(C)c1F ZINC001245695600 803916201 /nfs/dbraw/zinc/91/62/01/803916201.db2.gz WKTSQPFTGYFUHN-UHFFFAOYSA-N -1 3 286.285 3.429 20 0 CGADHM Cc1c(Br)ccc([O-])c1NC(=O)c1cc[nH]c1 ZINC001141437225 804641709 /nfs/dbraw/zinc/64/17/09/804641709.db2.gz POFFSMVSTPTHEL-UHFFFAOYSA-N -1 3 295.136 3.044 20 0 CGADHM O=C(Nc1c([O-])cccc1Cl)c1ncc(Cl)s1 ZINC001141467336 804644272 /nfs/dbraw/zinc/64/42/72/804644272.db2.gz RPBMLVXTYWTVBD-UHFFFAOYSA-N -1 3 289.143 3.408 20 0 CGADHM CO[C@H]1CCCN(Cc2c(Cl)cc([O-])cc2Cl)C1 ZINC001142106021 804695363 /nfs/dbraw/zinc/69/53/63/804695363.db2.gz WVEFSKOIMLTNEK-JTQLQIEISA-N -1 3 290.190 3.310 20 0 CGADHM [O-]c1c(F)cc(F)cc1Nc1ncc(C(F)(F)F)cn1 ZINC001212477416 815034272 /nfs/dbraw/zinc/03/42/72/815034272.db2.gz DHLSRVKAKAHNKG-UHFFFAOYSA-N -1 3 291.179 3.223 20 0 CGADHM Cc1cnn(CC2CC2)c1Nc1cc(F)cc(F)c1[O-] ZINC001212484037 815037451 /nfs/dbraw/zinc/03/74/51/815037451.db2.gz GYPAYPLOMQRCFR-UHFFFAOYSA-N -1 3 279.290 3.329 20 0 CGADHM [O-]c1ccc(Cc2nc(-c3ccccc3)no2)c(F)c1 ZINC001248142436 804886198 /nfs/dbraw/zinc/88/61/98/804886198.db2.gz OBAWTHUGKHOLEK-UHFFFAOYSA-N -1 3 270.263 3.172 20 0 CGADHM CC(C)c1ccc(C(=O)NN2CCCC[C@@H]2C)c([O-])c1 ZINC001144070656 804932680 /nfs/dbraw/zinc/93/26/80/804932680.db2.gz OKWNZNFXLKXDEP-LBPRGKRZSA-N -1 3 276.380 3.035 20 0 CGADHM COc1c(C)cccc1Nc1cc(=O)[n-]c(C2CC2)n1 ZINC001248517803 804940467 /nfs/dbraw/zinc/94/04/67/804940467.db2.gz YHDMBGCPIRYSDR-UHFFFAOYSA-N -1 3 271.320 3.120 20 0 CGADHM Cc1ccccc1[C@@H](O)C(=O)Nc1cc([O-])cc(Cl)c1 ZINC001144532735 804998993 /nfs/dbraw/zinc/99/89/93/804998993.db2.gz VWAPZOWTYOAVHL-CQSZACIVSA-N -1 3 291.734 3.026 20 0 CGADHM C[C@H]1CCCCN(Cc2c(F)cc([O-])cc2F)C1 ZINC001144541917 805001738 /nfs/dbraw/zinc/00/17/38/805001738.db2.gz MPPQDSZFBWXAMT-JTQLQIEISA-N -1 3 255.308 3.292 20 0 CGADHM CN(Cc1c(F)cc([O-])cc1F)CC1CCCC1 ZINC001144558955 805002728 /nfs/dbraw/zinc/00/27/28/805002728.db2.gz GUOLATUFOYYJCK-UHFFFAOYSA-N -1 3 255.308 3.292 20 0 CGADHM CN(CCc1cccs1)Cc1c(F)cc([O-])cc1F ZINC001144554629 805003204 /nfs/dbraw/zinc/00/32/04/805003204.db2.gz CPXQYQLEYZFUII-UHFFFAOYSA-N -1 3 283.343 3.406 20 0 CGADHM [O-]c1cc(F)c(CN2CC[C@@H]3CCC[C@@H]3C2)cc1F ZINC001144647586 805021342 /nfs/dbraw/zinc/02/13/42/805021342.db2.gz HOFLKSFXDQCCCE-WDEREUQCSA-N -1 3 267.319 3.292 20 0 CGADHM C[C@@H]1CCCCCN1Cc1cc(F)c([O-])cc1F ZINC001144667542 805031424 /nfs/dbraw/zinc/03/14/24/805031424.db2.gz VVXKGTMDWMVAIM-SNVBAGLBSA-N -1 3 255.308 3.435 20 0 CGADHM O=C([N-]Oc1ccc(F)cc1)c1c(F)cccc1Cl ZINC001146550080 805074599 /nfs/dbraw/zinc/07/45/99/805074599.db2.gz DJKNACFPLBHRDZ-UHFFFAOYSA-N -1 3 283.661 3.342 20 0 CGADHM COc1cccc(C(=O)Nc2ccc3c(c2)N=NC3)c1[O-] ZINC001148208084 805168398 /nfs/dbraw/zinc/16/83/98/805168398.db2.gz ZTJRCQZHHNLYNW-UHFFFAOYSA-N -1 3 283.287 3.250 20 0 CGADHM Cc1ccc(C(=O)Nc2ccc(C(F)F)nc2)c([O-])c1 ZINC001148491864 805187621 /nfs/dbraw/zinc/18/76/21/805187621.db2.gz FQRHERNOHCNTKF-UHFFFAOYSA-N -1 3 278.258 3.286 20 0 CGADHM Cc1ccc(C(=O)N[C@@H](C)c2cccc(N(C)C)c2)c([O-])c1 ZINC001148507688 805192766 /nfs/dbraw/zinc/19/27/66/805192766.db2.gz SISWBIHGCVGJFB-ZDUSSCGKSA-N -1 3 298.386 3.258 20 0 CGADHM CC(=O)c1cc(C(=O)NCC(C)(C)CC2CC2)ccc1[O-] ZINC001148669832 805204352 /nfs/dbraw/zinc/20/43/52/805204352.db2.gz DWCSLRWPWUEVEF-UHFFFAOYSA-N -1 3 289.375 3.151 20 0 CGADHM Cc1nc2ccccc2c(C(=O)N2C[C@@H](C)CC23CC3)c1[O-] ZINC001149194866 805224084 /nfs/dbraw/zinc/22/40/84/805224084.db2.gz CTUTWJJOYPTRCL-NSHDSACASA-N -1 3 296.370 3.263 20 0 CGADHM O=C(Nc1cncc([O-])c1)c1cc2ccccc2s1 ZINC001149794968 805243681 /nfs/dbraw/zinc/24/36/81/805243681.db2.gz QRTAPDMDHIJUMC-UHFFFAOYSA-N -1 3 270.313 3.254 20 0 CGADHM Cc1ncc(Nc2ccc3c(c2)C(=O)CCCC3)c(=O)[n-]1 ZINC001249894775 805285768 /nfs/dbraw/zinc/28/57/68/805285768.db2.gz SDPZNZZXKSJGOU-UHFFFAOYSA-N -1 3 283.331 3.143 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CCc2ccc(F)cc2C1 ZINC001151453333 805290405 /nfs/dbraw/zinc/29/04/05/805290405.db2.gz XFKMRVYRQSDHOS-UHFFFAOYSA-N -1 3 285.318 3.038 20 0 CGADHM Cc1ccc(C(=O)Nc2cncc(C(F)F)c2)c([O-])c1 ZINC001152448411 805348667 /nfs/dbraw/zinc/34/86/67/805348667.db2.gz YUWPGELRDIVYLI-UHFFFAOYSA-N -1 3 278.258 3.286 20 0 CGADHM O=C(Nc1cc([O-])cc(Cl)c1)c1cnc2cc[nH]cc1-2 ZINC001152980655 805377432 /nfs/dbraw/zinc/37/74/32/805377432.db2.gz ZZYGBOGHHOHBTA-UHFFFAOYSA-N -1 3 287.706 3.174 20 0 CGADHM C/C(=C\c1cccnc1)C(=O)Nc1ccc(Cl)cc1[O-] ZINC001153461255 805398210 /nfs/dbraw/zinc/39/82/10/805398210.db2.gz LBCMDICGNXSMQT-JXMROGBWSA-N -1 3 288.734 3.483 20 0 CGADHM Cc1oc(C(C)(C)C)cc1C(=O)Nc1ncccc1[O-] ZINC001154067498 805431250 /nfs/dbraw/zinc/43/12/50/805431250.db2.gz GNIJTPJPMMVITK-UHFFFAOYSA-N -1 3 274.320 3.238 20 0 CGADHM CC(=O)Nc1ccc(Nc2ccc(Cl)c([O-])c2)cn1 ZINC001212588449 815077764 /nfs/dbraw/zinc/07/77/64/815077764.db2.gz PXNUKZZVVBLKHC-UHFFFAOYSA-N -1 3 277.711 3.143 20 0 CGADHM CCOC(=O)c1nc(C)oc1Nc1ccc(Cl)c([O-])c1 ZINC001212590488 815078268 /nfs/dbraw/zinc/07/82/68/815078268.db2.gz OPIPIJOBQVLQRI-UHFFFAOYSA-N -1 3 296.710 3.262 20 0 CGADHM COC(=O)c1cc(C)cnc1Nc1ccc(Cl)c([O-])c1 ZINC001212589680 815078811 /nfs/dbraw/zinc/07/88/11/815078811.db2.gz YOQRUSCNXMSGPZ-UHFFFAOYSA-N -1 3 292.722 3.279 20 0 CGADHM CCOc1nccc(Nc2ncc(F)cc2[O-])c1Cl ZINC001250244755 805516326 /nfs/dbraw/zinc/51/63/26/805516326.db2.gz FEUAVDQVOLBAIY-UHFFFAOYSA-N -1 3 283.690 3.117 20 0 CGADHM O=C(Nc1ncccc1[O-])c1ccc(Cl)c2cnccc12 ZINC001155191742 805555893 /nfs/dbraw/zinc/55/58/93/805555893.db2.gz QEAFLNWSTYBKJV-UHFFFAOYSA-N -1 3 299.717 3.241 20 0 CGADHM COc1ccc(-c2nnc(CCC(C)C)o2)c([O-])c1OC ZINC001258357633 807425938 /nfs/dbraw/zinc/42/59/38/807425938.db2.gz XJTKWRMSKSXBNO-UHFFFAOYSA-N -1 3 292.335 3.048 20 0 CGADHM CC[C@H](C)S(=O)(=O)[N-]c1ccc(F)cc1C(F)(F)F ZINC001260723861 807700527 /nfs/dbraw/zinc/70/05/27/807700527.db2.gz RIVOVBIPRHCNMU-ZETCQYMHSA-N -1 3 299.289 3.385 20 0 CGADHM [O-]c1cccnc1CNc1ccccc1-c1cnco1 ZINC001169732817 807701394 /nfs/dbraw/zinc/70/13/94/807701394.db2.gz MGDJSIQZDJFLNE-UHFFFAOYSA-N -1 3 267.288 3.054 20 0 CGADHM COc1ccc(Nc2cc(=O)[n-]c(C)n2)c(C(F)(F)F)c1 ZINC001213047320 815211852 /nfs/dbraw/zinc/21/18/52/815211852.db2.gz CFRWGOFMWUBCDM-UHFFFAOYSA-N -1 3 299.252 3.262 20 0 CGADHM COc1ccc(Nc2ncc(Cl)cc2[O-])cc1OC ZINC001173886669 808742182 /nfs/dbraw/zinc/74/21/82/808742182.db2.gz IJNXUXNLOPSWIV-UHFFFAOYSA-N -1 3 280.711 3.201 20 0 CGADHM COc1ccc(Nc2cc(=O)[n-]c(C3CC3)n2)cc1Cl ZINC001174151933 808893322 /nfs/dbraw/zinc/89/33/22/808893322.db2.gz ROQQOAVLPZSIGC-UHFFFAOYSA-N -1 3 291.738 3.465 20 0 CGADHM [O-]c1cc(Nc2ccc3nccn3c2)c(F)cc1F ZINC001174279322 808929273 /nfs/dbraw/zinc/92/92/73/808929273.db2.gz SPQCXZZBJSJPRQ-UHFFFAOYSA-N -1 3 261.231 3.062 20 0 CGADHM CNC(=O)c1ccc(Nc2cccc(Cl)c2[O-])cc1 ZINC001174512656 809056579 /nfs/dbraw/zinc/05/65/79/809056579.db2.gz HGDYNSQXMMZNCV-UHFFFAOYSA-N -1 3 276.723 3.149 20 0 CGADHM Cc1ccc(F)cc1Nc1cc(=O)[n-]c(C2CC2)n1 ZINC001174884355 809189398 /nfs/dbraw/zinc/18/93/98/809189398.db2.gz OEKALOMVSYWJIA-UHFFFAOYSA-N -1 3 259.284 3.251 20 0 CGADHM Cc1ccc(Nc2c(F)cc([O-])cc2F)cc1N ZINC001174938012 809207401 /nfs/dbraw/zinc/20/74/01/809207401.db2.gz YVMRTPHZVZWGGY-UHFFFAOYSA-N -1 3 250.248 3.305 20 0 CGADHM Nc1cc2nn(-c3cc(F)c([O-])c(F)c3)cc2cc1Cl ZINC001213388934 815275104 /nfs/dbraw/zinc/27/51/04/815275104.db2.gz UGSCZWFIJHBPLT-UHFFFAOYSA-N -1 3 295.676 3.245 20 0 CGADHM CN(C)c1cccc(Nc2ncc(Cl)cc2[O-])c1 ZINC001174962440 809218480 /nfs/dbraw/zinc/21/84/80/809218480.db2.gz NGTFTUDBCOKOHI-UHFFFAOYSA-N -1 3 263.728 3.250 20 0 CGADHM Cc1cc(C[C@H](C)Nc2cc(F)c([O-])c(F)c2)on1 ZINC001213370588 815271231 /nfs/dbraw/zinc/27/12/31/815271231.db2.gz IXXDCMRZTKFVJV-ZETCQYMHSA-N -1 3 268.263 3.010 20 0 CGADHM Nc1ccc(-c2cnn(-c3cc(F)c([O-])c(F)c3)c2)cc1 ZINC001213384293 815274491 /nfs/dbraw/zinc/27/44/91/815274491.db2.gz DGDLCFSEJSNCGO-UHFFFAOYSA-N -1 3 287.269 3.105 20 0 CGADHM CCOc1ccc([N-]c2nonc2C2CC2)c(F)c1F ZINC001175152176 809290414 /nfs/dbraw/zinc/29/04/14/809290414.db2.gz INWGPLRIMUQTJM-UHFFFAOYSA-N -1 3 281.262 3.368 20 0 CGADHM O=c1cc(Cl)[nH]cc1Nc1c(F)ccc([O-])c1F ZINC001175264085 809329047 /nfs/dbraw/zinc/32/90/47/809329047.db2.gz RTMOUZDMGSCRMA-UHFFFAOYSA-N -1 3 272.638 3.168 20 0 CGADHM [O-]c1ccc(F)c(Nc2cc3ccccn3n2)c1F ZINC001175265120 809330435 /nfs/dbraw/zinc/33/04/35/809330435.db2.gz CAIKUCBYGKDCLO-UHFFFAOYSA-N -1 3 261.231 3.062 20 0 CGADHM CC(=O)c1cccc(Nc2c(F)ccc([O-])c2F)n1 ZINC001175266647 809331356 /nfs/dbraw/zinc/33/13/56/809331356.db2.gz VJJLBCRCCPHIKC-UHFFFAOYSA-N -1 3 264.231 3.012 20 0 CGADHM Nc1cccc(C(=S)Nc2c(F)ccc([O-])c2F)c1 ZINC001175268814 809332074 /nfs/dbraw/zinc/33/20/74/809332074.db2.gz XJOHJUTUIUIMRV-UHFFFAOYSA-N -1 3 280.299 3.040 20 0 CGADHM [O-]c1ccc(F)c(Nc2cc(O)ccc2F)c1F ZINC001175268403 809332166 /nfs/dbraw/zinc/33/21/66/809332166.db2.gz MDUFNWAFZWLWGV-UHFFFAOYSA-N -1 3 255.195 3.259 20 0 CGADHM [O-]c1cc(Nc2c(F)ccc(O)c2F)c(F)cc1F ZINC001175269046 809332408 /nfs/dbraw/zinc/33/24/08/809332408.db2.gz YMSLYDDDCQFQOV-UHFFFAOYSA-N -1 3 273.185 3.398 20 0 CGADHM COc1cc(Nc2c(F)ccc([O-])c2F)ccc1O ZINC001175268097 809332594 /nfs/dbraw/zinc/33/25/94/809332594.db2.gz HHROHGRGIDDWLJ-UHFFFAOYSA-N -1 3 267.231 3.128 20 0 CGADHM COc1ccc(Nc2c(F)ccc([O-])c2F)cc1OC ZINC001175269012 809333270 /nfs/dbraw/zinc/33/32/70/809333270.db2.gz WNKLOLNGAGVLQY-UHFFFAOYSA-N -1 3 281.258 3.431 20 0 CGADHM [O-]c1ccc(F)c(Nc2ccc(C3=NCCO3)cc2)c1F ZINC001175268781 809333404 /nfs/dbraw/zinc/33/34/04/809333404.db2.gz VLIUZGCRBNSSBE-UHFFFAOYSA-N -1 3 290.269 3.191 20 0 CGADHM [O-]c1ccc(F)c(Nc2ccc(CO)c(F)c2)c1F ZINC001175270880 809334034 /nfs/dbraw/zinc/33/40/34/809334034.db2.gz MWKFXLSDBFUHQI-UHFFFAOYSA-N -1 3 269.222 3.045 20 0 CGADHM O=c1[nH]oc2ccc(Nc3c(F)ccc([O-])c3F)cc12 ZINC001175269786 809334154 /nfs/dbraw/zinc/33/41/54/809334154.db2.gz LFZAMIGKVFYFNN-UHFFFAOYSA-N -1 3 278.214 3.261 20 0 CGADHM C[S@](=O)c1ccccc1Nc1ccc([O-])c(F)c1F ZINC001175303380 809344368 /nfs/dbraw/zinc/34/43/68/809344368.db2.gz CURJTEJAXPVKCC-IBGZPJMESA-N -1 3 283.299 3.151 20 0 CGADHM [O-]c1c(F)cc(Nc2cnc3cccnc3c2)cc1F ZINC001175357855 809377429 /nfs/dbraw/zinc/37/74/29/809377429.db2.gz CTVCCBLJYMMFPX-UHFFFAOYSA-N -1 3 273.242 3.357 20 0 CGADHM CC(C)Oc1ccc(Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001175429255 809401637 /nfs/dbraw/zinc/40/16/37/809401637.db2.gz UMQVEAMCRGUYLW-UHFFFAOYSA-N -1 3 295.346 3.398 20 0 CGADHM COc1cccc([O-])c1C(=O)N[C@H]1CCC[C@H](C(C)C)C1 ZINC001293135152 809443971 /nfs/dbraw/zinc/44/39/71/809443971.db2.gz UWKVBMQDUNSHRS-STQMWFEESA-N -1 3 291.391 3.345 20 0 CGADHM CC[C@H](CSC)NC(=O)c1ccc(C(C)C)cc1[O-] ZINC001295808383 809493561 /nfs/dbraw/zinc/49/35/61/809493561.db2.gz DZDYACOFUDIOBO-GFCCVEGCSA-N -1 3 281.421 3.387 20 0 CGADHM COc1cccc([O-])c1C(=O)NCC1(C)CCC(C)CC1 ZINC001297434628 809517032 /nfs/dbraw/zinc/51/70/32/809517032.db2.gz YCNLWHYXVVBYMW-UHFFFAOYSA-N -1 3 291.391 3.347 20 0 CGADHM C[C@H](CCc1ccc(F)cc1)C(=O)[N-]OCCC1CC1 ZINC001298486417 809532798 /nfs/dbraw/zinc/53/27/98/809532798.db2.gz IEDWQUAPZZMJGP-GFCCVEGCSA-N -1 3 279.355 3.242 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)CCc1ccc(SC)cc1 ZINC001298606859 809534542 /nfs/dbraw/zinc/53/45/42/809534542.db2.gz KYCUUVBFWUIQCK-LBPRGKRZSA-N -1 3 281.421 3.435 20 0 CGADHM CC(=O)c1cccc(NC(=O)c2ccoc2Cl)c1[O-] ZINC001298744537 809537947 /nfs/dbraw/zinc/53/79/47/809537947.db2.gz MWRUWXQKVIQWKL-UHFFFAOYSA-N -1 3 279.679 3.094 20 0 CGADHM C[C@H](CC(=O)[N-]Oc1ccc(F)cc1)c1ccccc1 ZINC001300514298 809569715 /nfs/dbraw/zinc/56/97/15/809569715.db2.gz IZBLLEZQEAIDKX-GFCCVEGCSA-N -1 3 273.307 3.430 20 0 CGADHM Cc1cncc(Nc2cc([O-])c(F)cc2F)c1C ZINC001213530622 815299750 /nfs/dbraw/zinc/29/97/50/815299750.db2.gz HKZPXCFGLBQLKG-UHFFFAOYSA-N -1 3 250.248 3.426 20 0 CGADHM [O-]c1cc(Nc2ccc3[nH]nnc3c2)c(F)cc1Cl ZINC001176002921 809598489 /nfs/dbraw/zinc/59/84/89/809598489.db2.gz YSRZJTJCRAQGAF-UHFFFAOYSA-N -1 3 278.674 3.200 20 0 CGADHM Cc1nonc1[N-]c1cccc2c1cnn2[C@@H]1CCCCO1 ZINC001176317783 809666957 /nfs/dbraw/zinc/66/69/57/809666957.db2.gz HPKBHKIPSYISOC-AWEZNQCLSA-N -1 3 299.334 3.170 20 0 CGADHM [O-]c1cc(Nc2cccnc2N2CCCC2)c(F)cc1F ZINC001176751037 809757709 /nfs/dbraw/zinc/75/77/09/809757709.db2.gz SVJUIIIRUOWRPJ-UHFFFAOYSA-N -1 3 291.301 3.409 20 0 CGADHM Cc1ccc([O-])c(-c2nc(-c3cccc(F)c3C)no2)n1 ZINC001213698029 815323050 /nfs/dbraw/zinc/32/30/50/815323050.db2.gz KYFGPVMQSJPRFI-UHFFFAOYSA-N -1 3 285.278 3.260 20 0 CGADHM CCOc1ccc(-c2noc(-c3nc(C)ccc3[O-])n2)cc1 ZINC001213698532 815323200 /nfs/dbraw/zinc/32/32/00/815323200.db2.gz ZOKOVFXZWFLLNR-UHFFFAOYSA-N -1 3 297.314 3.211 20 0 CGADHM Cc1ccc2c(/C=C/C(=O)Nc3ncccc3[O-])c[nH]c2c1 ZINC001178488324 809870444 /nfs/dbraw/zinc/87/04/44/809870444.db2.gz SHYCSAAMSPQBLZ-FNORWQNLSA-N -1 3 293.326 3.229 20 0 CGADHM CC(C)c1ccc(C(=O)NC[C@]23C[C@H]2CCC3)c([O-])c1 ZINC001178558348 809875303 /nfs/dbraw/zinc/87/53/03/809875303.db2.gz XGDMBAPJWPBJRM-DYVFJYSZSA-N -1 3 273.376 3.436 20 0 CGADHM Cc1nsc([N-]c2cc(C(F)(F)F)cnc2C)n1 ZINC001213825040 815337093 /nfs/dbraw/zinc/33/70/93/815337093.db2.gz PNUIDAMRYRORTA-UHFFFAOYSA-N -1 3 274.271 3.312 20 0 CGADHM C[C@@H](O)c1cc(NCc2ccc([O-])c(F)c2)ccc1F ZINC001181621749 810061541 /nfs/dbraw/zinc/06/15/41/810061541.db2.gz HQASBLNJEYTSLG-SECBINFHSA-N -1 3 279.286 3.336 20 0 CGADHM O=C(Nc1ccc(F)c([O-])c1)[C@@H]1C[C@H]1c1ccccc1F ZINC001182287658 810102331 /nfs/dbraw/zinc/10/23/31/810102331.db2.gz SGHOAPIHDLYLEN-NWDGAFQWSA-N -1 3 289.281 3.413 20 0 CGADHM O=C([N-]c1cc(-c2cccs2)on1)c1cscn1 ZINC001183915530 810169080 /nfs/dbraw/zinc/16/90/80/810169080.db2.gz ZJHMUVABJCNHJX-UHFFFAOYSA-N -1 3 277.330 3.112 20 0 CGADHM O=C(Nc1ccc(F)c([O-])c1)C1=Cc2ccccc2C1 ZINC001183975718 810173545 /nfs/dbraw/zinc/17/35/45/810173545.db2.gz BDIXBZAQHKTXJY-UHFFFAOYSA-N -1 3 269.275 3.110 20 0 CGADHM COc1cc(F)c(Nc2cnc(C)[n-]c2=O)cc1Cl ZINC001214062605 815363956 /nfs/dbraw/zinc/36/39/56/815363956.db2.gz BNHQCZHHIRDOJO-UHFFFAOYSA-N -1 3 283.690 3.035 20 0 CGADHM CCOCc1ccc(C(=O)Nc2ccc(F)c([O-])c2)cc1 ZINC001187098847 810384468 /nfs/dbraw/zinc/38/44/68/810384468.db2.gz VHTGSQWYSBFNNA-UHFFFAOYSA-N -1 3 289.306 3.320 20 0 CGADHM CC(C)c1ccccc1NC(=O)c1[n-]nnc1C(F)(F)F ZINC001187756984 810422749 /nfs/dbraw/zinc/42/27/49/810422749.db2.gz LUHAXRHSTLGBPU-UHFFFAOYSA-N -1 3 298.268 3.199 20 0 CGADHM CC(C)c1ccccc1NC(=O)c1nn[n-]c1C(F)(F)F ZINC001187756984 810422754 /nfs/dbraw/zinc/42/27/54/810422754.db2.gz LUHAXRHSTLGBPU-UHFFFAOYSA-N -1 3 298.268 3.199 20 0 CGADHM Cc1cccc2[nH]c(NC(=O)c3c(C)cccc3[O-])nc21 ZINC001188638625 810497469 /nfs/dbraw/zinc/49/74/69/810497469.db2.gz ORHZBXDYJZBTTJ-UHFFFAOYSA-N -1 3 281.315 3.138 20 0 CGADHM Cc1cccc2nc(NC(=O)c3c(C)cccc3[O-])[nH]c21 ZINC001188638625 810497475 /nfs/dbraw/zinc/49/74/75/810497475.db2.gz ORHZBXDYJZBTTJ-UHFFFAOYSA-N -1 3 281.315 3.138 20 0 CGADHM Cc1cccc([O-])c1C(=O)N(C)CCC(=O)c1ccccc1 ZINC001188647153 810498768 /nfs/dbraw/zinc/49/87/68/810498768.db2.gz MIFLAKBNIHGPCY-UHFFFAOYSA-N -1 3 297.354 3.046 20 0 CGADHM COc1ccc2c(c1)[C@@H](NC(=O)c1c(C)cccc1[O-])CC2 ZINC001188659659 810500199 /nfs/dbraw/zinc/50/01/99/810500199.db2.gz NBUCKDZTYGTJSS-HNNXBMFYSA-N -1 3 297.354 3.127 20 0 CGADHM CC(C)[C@H](C)NC(=O)c1cccc(OC(F)(F)F)c1[O-] ZINC001189747963 810588715 /nfs/dbraw/zinc/58/87/15/810588715.db2.gz ALJULIZNOURFHU-QMMMGPOBSA-N -1 3 291.269 3.065 20 0 CGADHM CCc1nc(C(=O)Nc2cc([O-])cc(Cl)c2)cs1 ZINC001190042158 810605594 /nfs/dbraw/zinc/60/55/94/810605594.db2.gz JRABJJLNKDUPSB-UHFFFAOYSA-N -1 3 282.752 3.317 20 0 CGADHM O=S(=O)(CC1CCCC1)[N-]c1cc(F)c(F)c(F)c1 ZINC001191524061 810722553 /nfs/dbraw/zinc/72/25/53/810722553.db2.gz VOBOFINBEUJYHA-UHFFFAOYSA-N -1 3 293.310 3.036 20 0 CGADHM COc1ccnc(Nc2cc(F)c([O-])c(Cl)c2)c1 ZINC001214479727 815415643 /nfs/dbraw/zinc/41/56/43/815415643.db2.gz FFAMZMMJCNBXLV-UHFFFAOYSA-N -1 3 268.675 3.332 20 0 CGADHM COc1ccc(Nc2c(Cl)ccc([O-])c2F)c(CO)c1 ZINC001214561438 815424742 /nfs/dbraw/zinc/42/47/42/815424742.db2.gz MFYPPTGVKAQJFG-UHFFFAOYSA-N -1 3 297.713 3.429 20 0 CGADHM O=S(=O)([N-]c1cc2cccccc-2c1)c1ccc(O)cc1 ZINC001195767655 811289540 /nfs/dbraw/zinc/28/95/40/811289540.db2.gz RJGUWDKSALVGQS-UHFFFAOYSA-N -1 3 299.351 3.298 20 0 CGADHM [O-]c1cnc(NC(=S)Nc2cccc(F)c2)c(Cl)c1 ZINC001197617314 811437053 /nfs/dbraw/zinc/43/70/53/811437053.db2.gz RSDOCYJKEZGSDU-UHFFFAOYSA-N -1 3 297.742 3.389 20 0 CGADHM O=S(=O)(Cc1ccccn1)[N-]c1cc2cccccc-2c1 ZINC001197789350 811451997 /nfs/dbraw/zinc/45/19/97/811451997.db2.gz VATFJNZAHVTEEH-UHFFFAOYSA-N -1 3 298.367 3.128 20 0 CGADHM COc1c(F)cc(Nc2ncc(F)cc2[O-])cc1Cl ZINC001214968658 815470106 /nfs/dbraw/zinc/47/01/06/815470106.db2.gz AQEYTINKZDDGPR-UHFFFAOYSA-N -1 3 286.665 3.471 20 0 CGADHM CC(=O)c1ccc(Nc2cncc([O-])c2)cc1Cl ZINC001201647028 811930267 /nfs/dbraw/zinc/93/02/67/811930267.db2.gz YRUPBJVKTQYVNH-UHFFFAOYSA-N -1 3 262.696 3.387 20 0 CGADHM Brc1nnc([N-]c2ccc(C3CC3)nc2)s1 ZINC001201699558 811938856 /nfs/dbraw/zinc/93/88/56/811938856.db2.gz SNYBZPXHYFEWTI-UHFFFAOYSA-N -1 3 297.181 3.317 20 0 CGADHM [O-]c1ccccc1-c1nc(-c2cc(F)ccc2F)no1 ZINC001215140297 815487906 /nfs/dbraw/zinc/48/79/06/815487906.db2.gz ZCGDUAYJPMJROI-UHFFFAOYSA-N -1 3 274.226 3.387 20 0 CGADHM CN(C)c1cccc(-c2noc(-c3ccccc3[O-])n2)c1 ZINC001215141827 815487922 /nfs/dbraw/zinc/48/79/22/815487922.db2.gz AUYFOWBMLZOFEU-UHFFFAOYSA-N -1 3 281.315 3.175 20 0 CGADHM O=C(Nc1ccc(F)c([O-])c1)Nc1ccccc1F ZINC001202001823 811994822 /nfs/dbraw/zinc/99/48/22/811994822.db2.gz CSLITANLHQNQNQ-UHFFFAOYSA-N -1 3 264.231 3.314 20 0 CGADHM O=C(Nc1cccc(F)c1)Nc1cc(F)ccc1[O-] ZINC001202229007 812044744 /nfs/dbraw/zinc/04/47/44/812044744.db2.gz HTIKPFCTBJEYPT-UHFFFAOYSA-N -1 3 264.231 3.314 20 0 CGADHM C[C@H](NC(=O)Nc1ccc([O-])c(F)c1)c1ccccc1 ZINC001202506336 812110284 /nfs/dbraw/zinc/11/02/84/812110284.db2.gz USLBLDZPIDKDDS-JTQLQIEISA-N -1 3 274.295 3.414 20 0 CGADHM CCCCOc1ncc([N-]c2nnc(C)o2)cc1C ZINC001203039984 812224219 /nfs/dbraw/zinc/22/42/19/812224219.db2.gz WFUCHFBRIWXBIK-UHFFFAOYSA-N -1 3 262.313 3.004 20 0 CGADHM [O-]c1cc(F)c(Nc2cc3n[nH]cc3c(F)c2)c(F)c1 ZINC001215558834 815535531 /nfs/dbraw/zinc/53/55/31/815535531.db2.gz ZTDXWBPVXPHXSO-UHFFFAOYSA-N -1 3 279.221 3.429 20 0 CGADHM [O-]c1cc(F)c(Nc2cc3[nH]ncc3c(F)c2)c(F)c1 ZINC001215558834 815535534 /nfs/dbraw/zinc/53/55/34/815535534.db2.gz ZTDXWBPVXPHXSO-UHFFFAOYSA-N -1 3 279.221 3.429 20 0 CGADHM Cc1sc(Nc2cc(F)c([O-])cc2F)c(C(N)=O)c1C ZINC001215570176 815536307 /nfs/dbraw/zinc/53/63/07/815536307.db2.gz ARYJKUDZGZASTJ-UHFFFAOYSA-N -1 3 298.314 3.191 20 0 CGADHM [O-]c1cc(F)c(Nc2ccnc(Cl)c2)cc1F ZINC001215569727 815536521 /nfs/dbraw/zinc/53/65/21/815536521.db2.gz FXNUHCLGOYNBMS-UHFFFAOYSA-N -1 3 256.639 3.462 20 0 CGADHM [O-]c1cc(F)c(Nc2cnc(F)c(F)c2)cc1F ZINC001215572653 815537722 /nfs/dbraw/zinc/53/77/22/815537722.db2.gz OUWKLXJOYDDGGD-UHFFFAOYSA-N -1 3 258.174 3.087 20 0 CGADHM COc1cncc(Nc2cc(F)c([O-])cc2F)c1C ZINC001215571121 815537746 /nfs/dbraw/zinc/53/77/46/815537746.db2.gz ZOSJSDQKIIAIBJ-UHFFFAOYSA-N -1 3 266.247 3.126 20 0 CGADHM Nc1cccc2c1N(c1cc(F)c([O-])cc1F)CCC2 ZINC001215575963 815538619 /nfs/dbraw/zinc/53/86/19/815538619.db2.gz HOWPKBCYLJLGCT-UHFFFAOYSA-N -1 3 276.286 3.337 20 0 CGADHM CCCOc1ccc(C)c(Nc2cnc(C)[n-]c2=O)c1 ZINC001215584864 815542726 /nfs/dbraw/zinc/54/27/26/815542726.db2.gz HFVKGOMPLWWMIM-UHFFFAOYSA-N -1 3 273.336 3.331 20 0 CGADHM S=c1ccc(-c2ccc(OCc3ccccc3)nc2)n[n-]1 ZINC001204739870 812723164 /nfs/dbraw/zinc/72/31/64/812723164.db2.gz VACWRRGVFQFJAI-UHFFFAOYSA-N -1 3 295.367 3.406 20 0 CGADHM COCc1cnc(-c2ccc([O-])cc2C(F)(F)F)nc1 ZINC001205066900 812845681 /nfs/dbraw/zinc/84/56/81/812845681.db2.gz YQTXHCVUQBRQME-UHFFFAOYSA-N -1 3 284.237 3.014 20 0 CGADHM COc1cncc(Nc2nc3c(cccc3[O-])s2)c1C ZINC001215730273 815566675 /nfs/dbraw/zinc/56/66/75/815566675.db2.gz IVMRZOHZBPJWES-UHFFFAOYSA-N -1 3 287.344 3.458 20 0 CGADHM [O-]c1ccc(-c2ccc(-c3cccnc3)nn2)c(F)c1 ZINC001206038336 813177221 /nfs/dbraw/zinc/17/72/21/813177221.db2.gz VXCAFQLJJCACRV-UHFFFAOYSA-N -1 3 267.263 3.050 20 0 CGADHM [O-]c1ccc(-c2ncccc2C2CCOCC2)c(F)c1 ZINC001206044748 813179249 /nfs/dbraw/zinc/17/92/49/813179249.db2.gz SXRISRVFKQJELQ-UHFFFAOYSA-N -1 3 273.307 3.487 20 0 CGADHM COc1cc2nc[nH]c2cc1-c1ccc([O-])cc1F ZINC001206064936 813188165 /nfs/dbraw/zinc/18/81/65/813188165.db2.gz VRTJABXYJFAQQK-UHFFFAOYSA-N -1 3 258.252 3.083 20 0 CGADHM COC(=O)c1cc2ncoc2c(-c2ccc([O-])cc2F)c1 ZINC001206064874 813188387 /nfs/dbraw/zinc/18/83/87/813188387.db2.gz RKVHMMGLJQBLLL-UHFFFAOYSA-N -1 3 287.246 3.126 20 0 CGADHM Fc1cc(-c2ccc(=S)[n-]n2)cc(N2CCCC2)c1 ZINC001206105201 813201448 /nfs/dbraw/zinc/20/14/48/813201448.db2.gz DBXDXUVCRLIZQE-UHFFFAOYSA-N -1 3 275.352 3.172 20 0 CGADHM Cc1ccc([N-]c2nnc(-c3ccco3)o2)c(O)c1 ZINC001206255359 813257600 /nfs/dbraw/zinc/25/76/00/813257600.db2.gz ZDIVSZVNZHOUQP-UHFFFAOYSA-N -1 3 257.249 3.087 20 0 CGADHM CC(=O)c1cccc(O)c1Nc1cc([O-])cc(F)c1 ZINC001208126764 813699913 /nfs/dbraw/zinc/69/99/13/813699913.db2.gz ZUMDAAUQQXNTIP-UHFFFAOYSA-N -1 3 261.252 3.183 20 0 CGADHM CN(C)c1ccccc1Nc1cc(F)c([O-])c(F)c1 ZINC001209991081 814234091 /nfs/dbraw/zinc/23/40/91/814234091.db2.gz OUTIFPZGUKABAH-UHFFFAOYSA-N -1 3 264.275 3.480 20 0 CGADHM Nc1ccc2nn(-c3ccc(F)cc3[O-])cc2c1Cl ZINC001210017237 814247208 /nfs/dbraw/zinc/24/72/08/814247208.db2.gz UBIHMVTVEOIUMW-UHFFFAOYSA-N -1 3 277.686 3.106 20 0 CGADHM CCOC(=O)c1cnoc1[N-]c1cccc(C)c1F ZINC001210034486 814255048 /nfs/dbraw/zinc/25/50/48/814255048.db2.gz BGRLUJGKHJBVEE-UHFFFAOYSA-N -1 3 264.256 3.042 20 0 CGADHM COc1ccc2ccccc2c1Nc1cnc[n-]c1=O ZINC001210168569 814319139 /nfs/dbraw/zinc/31/91/39/814319139.db2.gz MAPUAZROSKUYHM-UHFFFAOYSA-N -1 3 267.288 3.088 20 0 CGADHM COc1ccc2ccccc2c1Nc1cnc(C)[n-]c1=O ZINC001210170676 814320697 /nfs/dbraw/zinc/32/06/97/814320697.db2.gz VKJJPOJPPRRRMJ-UHFFFAOYSA-N -1 3 281.315 3.396 20 0 CGADHM O=C1OCc2cc(Nc3cccc(Cl)c3[O-])ccc21 ZINC001210219542 814346102 /nfs/dbraw/zinc/34/61/02/814346102.db2.gz MSQJEZAHCZYOCA-UHFFFAOYSA-N -1 3 275.691 3.460 20 0 CGADHM [O-]c1c(Cl)cccc1Nc1cn2nc(Cl)ccc2n1 ZINC001210219052 814346311 /nfs/dbraw/zinc/34/63/11/814346311.db2.gz OLLJUDSNBGKAOE-UHFFFAOYSA-N -1 3 295.129 3.485 20 0 CGADHM [O-]c1c(Cl)cccc1Nc1ccnn1-c1ccccn1 ZINC001210219416 814346395 /nfs/dbraw/zinc/34/63/95/814346395.db2.gz IKELTZDVKMIHPH-UHFFFAOYSA-N -1 3 286.722 3.370 20 0 CGADHM [O-]c1c(Cl)cccc1Nc1cnn2ccc(Cl)nc12 ZINC001210219643 814347566 /nfs/dbraw/zinc/34/75/66/814347566.db2.gz RLYRZUZOCQLLNY-UHFFFAOYSA-N -1 3 295.129 3.485 20 0 CGADHM Cc1cc(N)c2ccnc-2n1-c1cccc(Cl)c1[O-] ZINC001210220126 814349542 /nfs/dbraw/zinc/34/95/42/814349542.db2.gz NGPSHKDLKZOGQF-UHFFFAOYSA-N -1 3 273.723 3.227 20 0 CGADHM COc1ccc(N)cc1Nc1cccc(Cl)c1[O-] ZINC001210222133 814349796 /nfs/dbraw/zinc/34/97/96/814349796.db2.gz PLEXGHRUAAWVMR-UHFFFAOYSA-N -1 3 264.712 3.380 20 0 CGADHM Nc1cccc2c1CCN2c1cccc(Cl)c1[O-] ZINC001210223312 814350886 /nfs/dbraw/zinc/35/08/86/814350886.db2.gz NLMOFMMOUPIEHF-UHFFFAOYSA-N -1 3 260.724 3.322 20 0 CGADHM O=C1NCCc2cccc(Nc3cccc(Cl)c3[O-])c21 ZINC001210223835 814351027 /nfs/dbraw/zinc/35/10/27/814351027.db2.gz XSAQRGKMNOBMSS-UHFFFAOYSA-N -1 3 288.734 3.075 20 0 CGADHM [O-]c1ccc(Nc2ccc(CO)c(F)c2)cc1Cl ZINC001210485546 814482667 /nfs/dbraw/zinc/48/26/67/814482667.db2.gz RAVKGCBHZQSOTG-UHFFFAOYSA-N -1 3 267.687 3.421 20 0 CGADHM CC(C)(O)c1ccc(Nc2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC001210616264 814557614 /nfs/dbraw/zinc/55/76/14/814557614.db2.gz FAMMNBCEAYGWMT-UHFFFAOYSA-N -1 3 285.347 3.031 20 0 CGADHM O=c1cc(Nc2cnc3sccc3c2)nc(C2CC2)[n-]1 ZINC001210691700 814586094 /nfs/dbraw/zinc/58/60/94/814586094.db2.gz LGMWGJCBHHUSMM-UHFFFAOYSA-N -1 3 284.344 3.413 20 0 CGADHM COc1cc(Nc2cc(F)c([O-])cc2F)cc(C)n1 ZINC001210780201 814625258 /nfs/dbraw/zinc/62/52/58/814625258.db2.gz FDCXSAKNVNUURO-UHFFFAOYSA-N -1 3 266.247 3.126 20 0 CGADHM O=C1Cc2ccc(Nc3cccc([O-])c3Cl)cc2C1 ZINC001210859179 814653435 /nfs/dbraw/zinc/65/34/35/814653435.db2.gz DQLNEEGZBLZPNZ-UHFFFAOYSA-N -1 3 273.719 3.457 20 0 CGADHM Nc1c(F)cc(Nc2c(F)cc([O-])cc2F)cc1F ZINC001210911871 814670026 /nfs/dbraw/zinc/67/00/26/814670026.db2.gz POMZVQAHLNKCDI-UHFFFAOYSA-N -1 3 272.201 3.274 20 0 CGADHM Fc1cc(-c2cccc(-c3nnn[n-]3)c2)cc(F)c1Cl ZINC001242798802 823135720 /nfs/dbraw/zinc/13/57/20/823135720.db2.gz UTXSOFBKTOWRJW-UHFFFAOYSA-N -1 3 292.676 3.465 20 0 CGADHM Fc1cc(-c2cccc(-c3nn[n-]n3)c2)cc(F)c1Cl ZINC001242798802 823135723 /nfs/dbraw/zinc/13/57/23/823135723.db2.gz UTXSOFBKTOWRJW-UHFFFAOYSA-N -1 3 292.676 3.465 20 0 CGADHM Fc1cc(C(F)(F)F)cnc1[N-]c1nccs1 ZINC001210989669 814701020 /nfs/dbraw/zinc/70/10/20/814701020.db2.gz NHYPFTLYGZLOOA-UHFFFAOYSA-N -1 3 263.219 3.440 20 0 CGADHM Cn1cncc1Nc1c(Cl)ccc([O-])c1Cl ZINC001211250388 814860942 /nfs/dbraw/zinc/86/09/42/814860942.db2.gz JNOYZRGDNMUYQS-UHFFFAOYSA-N -1 3 258.108 3.176 20 0 CGADHM Cc1c(F)cncc1Nc1cc([O-])c(F)cc1F ZINC001216193734 815731894 /nfs/dbraw/zinc/73/18/94/815731894.db2.gz DJWFEANRMOWMND-UHFFFAOYSA-N -1 3 254.211 3.257 20 0 CGADHM CCCn1nccc1-c1ccc2c(c1)[N-]C(=S)C2 ZINC001242846148 823151827 /nfs/dbraw/zinc/15/18/27/823151827.db2.gz SSMOLKASGFMGOL-UHFFFAOYSA-N -1 3 257.362 3.256 20 0 CGADHM NCc1ccc(-c2cc(Cl)c([O-])c(Cl)c2)cn1 ZINC001242852916 823152498 /nfs/dbraw/zinc/15/24/98/823152498.db2.gz BAHRSTMJNJLTRW-UHFFFAOYSA-N -1 3 269.131 3.220 20 0 CGADHM CC(C)(C)c1nc([N-]c2cc(F)cc(C(C)(C)O)c2)no1 ZINC001216487865 815839356 /nfs/dbraw/zinc/83/93/56/815839356.db2.gz BCSYMTVJZUTCHS-UHFFFAOYSA-N -1 3 293.342 3.477 20 0 CGADHM Cc1cc(C)cc(-c2noc(-c3c([O-])cc(O)cc3O)n2)c1 ZINC001216727071 815894167 /nfs/dbraw/zinc/89/41/67/815894167.db2.gz MOAGQNVBTKFOTQ-UHFFFAOYSA-N -1 3 298.298 3.137 20 0 CGADHM [O-]c1ccc(O)cc1-c1nc(-c2cccc(F)c2F)no1 ZINC001216735301 815894561 /nfs/dbraw/zinc/89/45/61/815894561.db2.gz GONPIHYWLBPPMR-UHFFFAOYSA-N -1 3 290.225 3.093 20 0 CGADHM Cc1cncc(-c2noc(-c3cc([O-])c(C)c(F)c3)n2)c1 ZINC001216895639 815900692 /nfs/dbraw/zinc/90/06/92/815900692.db2.gz XSVNILCGMDSEDZ-UHFFFAOYSA-N -1 3 285.278 3.260 20 0 CGADHM Fc1ccccc1-c1noc(-c2nc3ccccc3[n-]2)n1 ZINC001217136818 815910483 /nfs/dbraw/zinc/91/04/83/815910483.db2.gz IOXUXCVROKWLSI-UHFFFAOYSA-N -1 3 280.262 3.419 20 0 CGADHM CCc1cccnc1-c1noc(-c2nc3ccccc3[n-]2)n1 ZINC001217136174 815910595 /nfs/dbraw/zinc/91/05/95/815910595.db2.gz PEYYCXRKGSUXJD-UHFFFAOYSA-N -1 3 291.314 3.237 20 0 CGADHM S=c1ccc(-c2ccccc2N2CCCCC2)n[n-]1 ZINC001242874547 823160715 /nfs/dbraw/zinc/16/07/15/823160715.db2.gz RBHGJQPVMJFIHA-UHFFFAOYSA-N -1 3 271.389 3.423 20 0 CGADHM CC1(C)CNC(=O)c2ccc(-c3ccc(F)c([O-])c3)cc21 ZINC001243046455 823223938 /nfs/dbraw/zinc/22/39/38/823223938.db2.gz HZWFBHOIUAYMNS-UHFFFAOYSA-N -1 3 285.318 3.219 20 0 CGADHM [O-]c1cc(-c2ccc(F)c(C3OCCO3)c2)ccc1F ZINC001243048145 823224588 /nfs/dbraw/zinc/22/45/88/823224588.db2.gz IMIPLAGYUOWSNS-UHFFFAOYSA-N -1 3 278.254 3.383 20 0 CGADHM CC1CCN(c2ccc(-c3ccc(F)c([O-])c3)nn2)CC1 ZINC001243048277 823225550 /nfs/dbraw/zinc/22/55/50/823225550.db2.gz NPQQZAZTQNWHNK-UHFFFAOYSA-N -1 3 287.338 3.225 20 0 CGADHM [O-]c1cc(-c2cn3ncnc3cc2C(F)(F)F)ccc1F ZINC001243052215 823228577 /nfs/dbraw/zinc/22/85/77/823228577.db2.gz ZJAVNWKGGYTUMB-UHFFFAOYSA-N -1 3 297.211 3.260 20 0 CGADHM COc1ncc(-c2ccc(F)c([O-])c2)c2cc[nH]c21 ZINC001243049440 823227130 /nfs/dbraw/zinc/22/71/30/823227130.db2.gz NZJHYBZMROSDEC-UHFFFAOYSA-N -1 3 258.252 3.083 20 0 CGADHM Cc1occc1-c1cc(C(F)(F)F)[n-]c(=S)n1 ZINC001243059699 823231332 /nfs/dbraw/zinc/23/13/32/823231332.db2.gz QBIMKGQYKMUFFF-UHFFFAOYSA-N -1 3 260.240 3.353 20 0 CGADHM C[C@H]1CCC[C@@H](Oc2nc(=O)[n-]cc2C(F)(F)F)C1 ZINC001225579051 817100057 /nfs/dbraw/zinc/10/00/57/817100057.db2.gz JWSPVFBGWVGOKN-JGVFFNPUSA-N -1 3 276.258 3.159 20 0 CGADHM c1c2ccccc2[nH]c1-c1ccccc1-c1nnn[n-]1 ZINC001243103082 823247487 /nfs/dbraw/zinc/24/74/87/823247487.db2.gz DDLNSJYNHKEVKU-UHFFFAOYSA-N -1 3 261.288 3.015 20 0 CGADHM c1c2ccccc2[nH]c1-c1ccccc1-c1nn[n-]n1 ZINC001243103082 823247490 /nfs/dbraw/zinc/24/74/90/823247490.db2.gz DDLNSJYNHKEVKU-UHFFFAOYSA-N -1 3 261.288 3.015 20 0 CGADHM Cc1cnc(=S)[n-]c1O[C@@H](C)c1cccc(F)c1F ZINC001225741220 817163708 /nfs/dbraw/zinc/16/37/08/817163708.db2.gz SLDKKWLZICJCCE-QMMMGPOBSA-N -1 3 282.315 3.492 20 0 CGADHM COCc1cc(O[C@@H](C)c2ccc(F)cc2)[n-]c(=S)n1 ZINC001225935489 817223372 /nfs/dbraw/zinc/22/33/72/817223372.db2.gz UNDOTDXXDQTZSE-VIFPVBQESA-N -1 3 294.351 3.191 20 0 CGADHM CC(=O)c1ccc([O-])c(O[C@H]2CCCC(=O)C2(C)C)c1 ZINC001225993546 817241915 /nfs/dbraw/zinc/24/19/15/817241915.db2.gz HFZYFVNFJTWHST-HNNXBMFYSA-N -1 3 276.332 3.121 20 0 CGADHM CC(=O)c1ccc([O-])c(O[C@H]2CC(F)(F)C2(F)F)c1 ZINC001225992891 817242112 /nfs/dbraw/zinc/24/21/12/817242112.db2.gz CYWPHEHEXKTYGM-JTQLQIEISA-N -1 3 278.201 3.017 20 0 CGADHM CCC[C@H](Oc1nc[n-]c(=O)c1C)c1ccc(OC)cc1 ZINC001226077897 817267536 /nfs/dbraw/zinc/26/75/36/817267536.db2.gz YRUXDORIROAWLQ-AWEZNQCLSA-N -1 3 288.347 3.419 20 0 CGADHM S=c1nc2c(c(O[C@H]3CCc4ccccc43)[n-]1)CCC2 ZINC001226299270 817321918 /nfs/dbraw/zinc/32/19/18/817321918.db2.gz ZBFMVLRWWZQOQN-AWEZNQCLSA-N -1 3 284.384 3.320 20 0 CGADHM CCC[C@H](Oc1cc(=O)[n-]c(C)n1)c1ccccc1 ZINC001226511622 817381892 /nfs/dbraw/zinc/38/18/92/817381892.db2.gz GVYORTIQKQLBGE-ZDUSSCGKSA-N -1 3 258.321 3.411 20 0 CGADHM C[C@H]1CCC[C@@H](Oc2[n-]c(=O)nc3nc(Cl)ccc32)C1 ZINC001226554978 817396879 /nfs/dbraw/zinc/39/68/79/817396879.db2.gz AHKHDDZIHAZJRB-DTWKUNHWSA-N -1 3 293.754 3.341 20 0 CGADHM [O-]c1cccc(OC[C@@H]2COc3ccccc3O2)c1Cl ZINC001226710973 817442020 /nfs/dbraw/zinc/44/20/20/817442020.db2.gz FYMWYQYRRCVNMD-JTQLQIEISA-N -1 3 292.718 3.264 20 0 CGADHM CCC[C@@H](CC(=O)OC)Oc1cccc([O-])c1Cl ZINC001226710081 817442490 /nfs/dbraw/zinc/44/24/90/817442490.db2.gz VMJYDSULZVESIW-VIFPVBQESA-N -1 3 272.728 3.156 20 0 CGADHM Cc1cc(O[C@H](C)c2ccc(F)c(F)c2)[n-]c(=S)n1 ZINC001226798444 817468817 /nfs/dbraw/zinc/46/88/17/817468817.db2.gz IEUDFOYSXRZJBH-MRVPVSSYSA-N -1 3 282.315 3.492 20 0 CGADHM CCCCC(=O)[C@H](CCCC)Oc1ccnc(=S)[n-]1 ZINC001226938792 817510380 /nfs/dbraw/zinc/51/03/80/817510380.db2.gz CFUKXXRXZUJNFQ-LBPRGKRZSA-N -1 3 282.409 3.462 20 0 CGADHM CCC[C@@H](Oc1ccc(=O)[n-]n1)C1CCCCC1 ZINC001227093474 817555268 /nfs/dbraw/zinc/55/52/68/817555268.db2.gz MHJVNEKMBQEOJD-GFCCVEGCSA-N -1 3 250.342 3.310 20 0 CGADHM CC/C=C(\C)[C@H](CC)Oc1[nH]c(=S)nc2nc[n-]c21 ZINC001227616015 817682692 /nfs/dbraw/zinc/68/26/92/817682692.db2.gz JGEDJOSXLNOZDR-ORZBULNSSA-N -1 3 278.381 3.155 20 0 CGADHM C[C@@H](Cc1ccccc1)Oc1ncc(Cl)cc1[O-] ZINC001227981172 817771618 /nfs/dbraw/zinc/77/16/18/817771618.db2.gz TWIFRNKDZDEQAX-JTQLQIEISA-N -1 3 263.724 3.451 20 0 CGADHM C[C@H](COc1ccccc1)Oc1ncc(Cl)cc1[O-] ZINC001227981144 817771727 /nfs/dbraw/zinc/77/17/27/817771727.db2.gz SUGXAQATHOTUTI-SNVBAGLBSA-N -1 3 279.723 3.287 20 0 CGADHM C[C@@H](Oc1ncc(Cl)cc1[O-])c1cnc2ccccn21 ZINC001227984293 817773884 /nfs/dbraw/zinc/77/38/84/817773884.db2.gz RHOLNJAEVHOUMB-SECBINFHSA-N -1 3 289.722 3.228 20 0 CGADHM CC[C@H]1CC[C@H](Oc2[n-]c(=O)nc3cccnc32)CC1 ZINC001228005747 817782086 /nfs/dbraw/zinc/78/20/86/817782086.db2.gz UJZFNWASKYOUPU-XYPYZODXSA-N -1 3 273.336 3.078 20 0 CGADHM CCCc1c([O-])ccc(C(C)=O)c1OC[C@H](CC)OC ZINC001228135164 817820122 /nfs/dbraw/zinc/82/01/22/817820122.db2.gz XBMRTQZZEPEZFA-LBPRGKRZSA-N -1 3 280.364 3.351 20 0 CGADHM COc1ccccc1[C@@H](C)Oc1nnc(-c2cccnc2)[n-]1 ZINC001228694972 817974825 /nfs/dbraw/zinc/97/48/25/817974825.db2.gz HRUPCLIQUXZILI-LLVKDONJSA-N -1 3 296.330 3.015 20 0 CGADHM COc1ccccc1[C@@H](C)Oc1nc(-c2cccnc2)n[n-]1 ZINC001228694972 817974829 /nfs/dbraw/zinc/97/48/29/817974829.db2.gz HRUPCLIQUXZILI-LLVKDONJSA-N -1 3 296.330 3.015 20 0 CGADHM COc1ccccc1[C@@H](C)Oc1n[n-]c(-c2cccnc2)n1 ZINC001228694972 817974835 /nfs/dbraw/zinc/97/48/35/817974835.db2.gz HRUPCLIQUXZILI-LLVKDONJSA-N -1 3 296.330 3.015 20 0 CGADHM C[C@H]1C[C@@H](Oc2nnc(-c3cccnc3)[n-]2)CC(C)(C)C1 ZINC001228694791 817975722 /nfs/dbraw/zinc/97/57/22/817975722.db2.gz FVVWJNUUHCIHRQ-WCQYABFASA-N -1 3 286.379 3.460 20 0 CGADHM C[C@H]1C[C@@H](Oc2nc(-c3cccnc3)n[n-]2)CC(C)(C)C1 ZINC001228694791 817975729 /nfs/dbraw/zinc/97/57/29/817975729.db2.gz FVVWJNUUHCIHRQ-WCQYABFASA-N -1 3 286.379 3.460 20 0 CGADHM C[C@H]1C[C@@H](Oc2n[n-]c(-c3cccnc3)n2)CC(C)(C)C1 ZINC001228694791 817975732 /nfs/dbraw/zinc/97/57/32/817975732.db2.gz FVVWJNUUHCIHRQ-WCQYABFASA-N -1 3 286.379 3.460 20 0 CGADHM C[C@@H]1CC[C@@H](C)[C@H](Oc2nnc(-c3cccnc3)[n-]2)C1 ZINC001228694775 817976022 /nfs/dbraw/zinc/97/60/22/817976022.db2.gz FONKJNMNCQJXOU-NQBHXWOUSA-N -1 3 272.352 3.070 20 0 CGADHM C[C@@H]1CC[C@@H](C)[C@H](Oc2nc(-c3cccnc3)n[n-]2)C1 ZINC001228694775 817976027 /nfs/dbraw/zinc/97/60/27/817976027.db2.gz FONKJNMNCQJXOU-NQBHXWOUSA-N -1 3 272.352 3.070 20 0 CGADHM C[C@@H]1CC[C@@H](C)[C@H](Oc2n[n-]c(-c3cccnc3)n2)C1 ZINC001228694775 817976032 /nfs/dbraw/zinc/97/60/32/817976032.db2.gz FONKJNMNCQJXOU-NQBHXWOUSA-N -1 3 272.352 3.070 20 0 CGADHM CC[C@@H]1CCCC[C@@H]1Oc1nnc(-c2cccnc2)[n-]1 ZINC001228695037 817976051 /nfs/dbraw/zinc/97/60/51/817976051.db2.gz ISAVQSNKXAVRRK-YPMHNXCESA-N -1 3 272.352 3.214 20 0 CGADHM CC[C@@H]1CCCC[C@@H]1Oc1nc(-c2cccnc2)n[n-]1 ZINC001228695037 817976056 /nfs/dbraw/zinc/97/60/56/817976056.db2.gz ISAVQSNKXAVRRK-YPMHNXCESA-N -1 3 272.352 3.214 20 0 CGADHM CC[C@@H]1CCCC[C@@H]1Oc1n[n-]c(-c2cccnc2)n1 ZINC001228695037 817976063 /nfs/dbraw/zinc/97/60/63/817976063.db2.gz ISAVQSNKXAVRRK-YPMHNXCESA-N -1 3 272.352 3.214 20 0 CGADHM CC[C@H](C)CC[C@@H](C)Oc1n[n-]c(-c2ccncc2)n1 ZINC001228699931 817979271 /nfs/dbraw/zinc/97/92/71/817979271.db2.gz KWOZHRAMPFEDJB-NWDGAFQWSA-N -1 3 274.368 3.460 20 0 CGADHM CCCC(CCC)Oc1n[n-]c(-c2ccncc2)n1 ZINC001228698663 817980072 /nfs/dbraw/zinc/98/00/72/817980072.db2.gz ZNAHBKTXBDULPC-UHFFFAOYSA-N -1 3 260.341 3.214 20 0 CGADHM C[C@H]1CCC[C@@H](Oc2cc3c(cc2[O-])CCC3=O)C1 ZINC001228852579 818022212 /nfs/dbraw/zinc/02/22/12/818022212.db2.gz AEUXFPIRPSOXDB-CMPLNLGQSA-N -1 3 260.333 3.479 20 0 CGADHM C[C@@H]1c2cnccc2C[C@@H]1Oc1cc2c(cc1[O-])CCC2=O ZINC001228856083 818024950 /nfs/dbraw/zinc/02/49/50/818024950.db2.gz VPVDNEGOBRVGJK-QGHHPUGFSA-N -1 3 295.338 3.023 20 0 CGADHM c1ccc([C@@H](Oc2cccc(-c3nnn[n-]3)c2)C2CC2)cc1 ZINC001231117037 818034323 /nfs/dbraw/zinc/03/43/23/818034323.db2.gz WCLWDCRORANZMD-MRXNPFEDSA-N -1 3 292.342 3.397 20 0 CGADHM c1ccc([C@@H](Oc2cccc(-c3nn[n-]n3)c2)C2CC2)cc1 ZINC001231117037 818034329 /nfs/dbraw/zinc/03/43/29/818034329.db2.gz WCLWDCRORANZMD-MRXNPFEDSA-N -1 3 292.342 3.397 20 0 CGADHM CC[C@@H](C)CC[C@@H](C)Oc1cccc(-c2nnn[n-]2)c1 ZINC001231118078 818034703 /nfs/dbraw/zinc/03/47/03/818034703.db2.gz JNLGYAUCKGEZNV-VXGBXAGGSA-N -1 3 274.368 3.460 20 0 CGADHM CC[C@@H](C)CC[C@@H](C)Oc1cccc(-c2nn[n-]n2)c1 ZINC001231118078 818034707 /nfs/dbraw/zinc/03/47/07/818034707.db2.gz JNLGYAUCKGEZNV-VXGBXAGGSA-N -1 3 274.368 3.460 20 0 CGADHM C[C@@H]1CCC[C@H](Oc2cccc(-c3nnn[n-]3)c2)[C@H]1C ZINC001231118622 818035437 /nfs/dbraw/zinc/03/54/37/818035437.db2.gz SHADEVKCVMTCCM-SUNKGSAMSA-N -1 3 272.352 3.070 20 0 CGADHM C[C@@H]1CCC[C@H](Oc2cccc(-c3nn[n-]n3)c2)[C@H]1C ZINC001231118622 818035442 /nfs/dbraw/zinc/03/54/42/818035442.db2.gz SHADEVKCVMTCCM-SUNKGSAMSA-N -1 3 272.352 3.070 20 0 CGADHM CC[C@@H](C)C[C@@H](CC)Oc1cccc(-c2nnn[n-]2)c1 ZINC001231119043 818035970 /nfs/dbraw/zinc/03/59/70/818035970.db2.gz YDMOOLXYZRZRPX-DGCLKSJQSA-N -1 3 274.368 3.460 20 0 CGADHM CC[C@@H](C)C[C@@H](CC)Oc1cccc(-c2nn[n-]n2)c1 ZINC001231119043 818035977 /nfs/dbraw/zinc/03/59/77/818035977.db2.gz YDMOOLXYZRZRPX-DGCLKSJQSA-N -1 3 274.368 3.460 20 0 CGADHM CCC[C@H](Oc1cccc(-c2nnn[n-]2)c1)C(C)(C)C ZINC001231118957 818036443 /nfs/dbraw/zinc/03/64/43/818036443.db2.gz XJLSOEMHIOVOLM-ZDUSSCGKSA-N -1 3 274.368 3.460 20 0 CGADHM CCC[C@H](Oc1cccc(-c2nn[n-]n2)c1)C(C)(C)C ZINC001231118957 818036452 /nfs/dbraw/zinc/03/64/52/818036452.db2.gz XJLSOEMHIOVOLM-ZDUSSCGKSA-N -1 3 274.368 3.460 20 0 CGADHM C[C@]1(CF)CCN(Cc2ccc(Cl)c([O-])c2)C1 ZINC001231733556 818161380 /nfs/dbraw/zinc/16/13/80/818161380.db2.gz YLUJHCOSTNBVHH-CYBMUJFWSA-N -1 3 257.736 3.227 20 0 CGADHM [O-]c1cc(CN2CCC3(CC(F)C3)CC2)cc(F)c1F ZINC001232968434 818485967 /nfs/dbraw/zinc/48/59/67/818485967.db2.gz ATPIGGHUTDSWAC-UHFFFAOYSA-N -1 3 285.309 3.385 20 0 CGADHM C[C@@H]1C[C@@H](C)CCN1Cc1cc([O-])c(F)c(F)c1 ZINC001232973437 818490676 /nfs/dbraw/zinc/49/06/76/818490676.db2.gz YAPWMXBISVNKIU-VHSXEESVSA-N -1 3 255.308 3.291 20 0 CGADHM C[C@@H]1CCN(Cc2cc(Cl)ncc2[O-])CCC1(F)F ZINC001233032590 818506297 /nfs/dbraw/zinc/50/62/97/818506297.db2.gz MIZKCFHTXSRHRT-SECBINFHSA-N -1 3 290.741 3.308 20 0 CGADHM [O-]c1cccc(CN2CCC[C@@H](C(F)(F)F)C2)c1F ZINC001233052219 818510216 /nfs/dbraw/zinc/51/02/16/818510216.db2.gz IKHHXYNJNACQNF-SNVBAGLBSA-N -1 3 277.261 3.306 20 0 CGADHM [O-]c1cccc(CN2CCOC[C@H]2C2CCCCC2)c1F ZINC001233054576 818513403 /nfs/dbraw/zinc/51/34/03/818513403.db2.gz SCQUQVJXTPJNKL-HNNXBMFYSA-N -1 3 293.382 3.312 20 0 CGADHM COC(C[C@@H](C)Oc1cc(Cl)c([O-])cc1C)OC ZINC001233593423 818652414 /nfs/dbraw/zinc/65/24/14/818652414.db2.gz XMBQRNHGZOAYCP-SECBINFHSA-N -1 3 274.744 3.130 20 0 CGADHM C[C@@H](CC(=O)OC(C)(C)C)Oc1cccc([O-])c1F ZINC001233868651 818720887 /nfs/dbraw/zinc/72/08/87/818720887.db2.gz WCWQAEIDQIRTHC-VIFPVBQESA-N -1 3 270.300 3.030 20 0 CGADHM COc1cccc(OC[C@@H](C)Oc2cccc([O-])c2F)c1 ZINC001233871009 818722152 /nfs/dbraw/zinc/72/21/52/818722152.db2.gz KTPNYQYSTZRVTC-LLVKDONJSA-N -1 3 292.306 3.386 20 0 CGADHM O=c1[n-]cnc(OC2CCCC2)c1-c1ccccc1 ZINC001234690204 818915001 /nfs/dbraw/zinc/91/50/01/818915001.db2.gz AJHNEGOPUIESMW-UHFFFAOYSA-N -1 3 256.305 3.171 20 0 CGADHM Cc1nc2ccc(-c3cc([O-])cc(Cl)c3)nc2[nH]1 ZINC001235900368 819210744 /nfs/dbraw/zinc/21/07/44/819210744.db2.gz MVJHPKCUGZEGNG-UHFFFAOYSA-N -1 3 259.696 3.292 20 0 CGADHM Nc1ccnc2cc(-c3ccc(C(=O)[O-])cc3)ccc12 ZINC001236063664 819296275 /nfs/dbraw/zinc/29/62/75/819296275.db2.gz ITGIJLZFQVPXAO-UHFFFAOYSA-N -1 3 264.284 3.182 20 0 CGADHM COc1cc(C)cc(F)c1-c1ccc(C)c(-c2nnn[n-]2)c1 ZINC001236230583 819393565 /nfs/dbraw/zinc/39/35/65/819393565.db2.gz SEHAGTVVSGLLPX-UHFFFAOYSA-N -1 3 298.321 3.298 20 0 CGADHM COc1cc(C)cc(F)c1-c1ccc(C)c(-c2nn[n-]n2)c1 ZINC001236230583 819393573 /nfs/dbraw/zinc/39/35/73/819393573.db2.gz SEHAGTVVSGLLPX-UHFFFAOYSA-N -1 3 298.321 3.298 20 0 CGADHM CC(C)Oc1cc(F)ccc1-c1ccccc1-c1nnn[n-]1 ZINC001243437430 823405262 /nfs/dbraw/zinc/40/52/62/823405262.db2.gz ZPQOTULJCKAYGD-UHFFFAOYSA-N -1 3 298.321 3.460 20 0 CGADHM CC(C)Oc1cc(F)ccc1-c1ccccc1-c1nn[n-]n1 ZINC001243437430 823405264 /nfs/dbraw/zinc/40/52/64/823405264.db2.gz ZPQOTULJCKAYGD-UHFFFAOYSA-N -1 3 298.321 3.460 20 0 CGADHM C[C@@H]1CCCN1Cc1ccc(Br)c([O-])c1 ZINC001236685565 819571516 /nfs/dbraw/zinc/57/15/16/819571516.db2.gz OCLVZMGOHJTTIE-SECBINFHSA-N -1 3 270.170 3.139 20 0 CGADHM CN(Cc1ccc(F)c([O-])c1)Cc1cccc(F)c1F ZINC001236707151 819577276 /nfs/dbraw/zinc/57/72/76/819577276.db2.gz DQJVOVSEKQMSJD-UHFFFAOYSA-N -1 3 281.277 3.442 20 0 CGADHM Cc1cc(-c2cccc([O-])c2F)nc(-c2ccncc2)n1 ZINC001243544516 823437326 /nfs/dbraw/zinc/43/73/26/823437326.db2.gz QYQXQUVMYDGING-UHFFFAOYSA-N -1 3 281.290 3.359 20 0 CGADHM [O-]c1cccc(-c2cc(-c3ccco3)ncn2)c1F ZINC001243544429 823437400 /nfs/dbraw/zinc/43/74/00/823437400.db2.gz PWHMKTWNUVELRM-UHFFFAOYSA-N -1 3 256.236 3.248 20 0 CGADHM O=C(c1ccc(-c2cccc([O-])c2F)cc1)N1CCCC1 ZINC001243545825 823438018 /nfs/dbraw/zinc/43/80/18/823438018.db2.gz PVOXKYHTXNDKEB-UHFFFAOYSA-N -1 3 285.318 3.434 20 0 CGADHM Cn1c(=O)ccc2cc(-c3cccc([O-])c3F)ccc21 ZINC001243547086 823439650 /nfs/dbraw/zinc/43/96/50/823439650.db2.gz LIZOLDOZRIXRPV-UHFFFAOYSA-N -1 3 269.275 3.050 20 0 CGADHM COc1c(F)ccc(-c2cccc([O-])c2F)c1OC ZINC001243547033 823439688 /nfs/dbraw/zinc/43/96/88/823439688.db2.gz ZLPQNLURVDXMEN-UHFFFAOYSA-N -1 3 266.243 3.355 20 0 CGADHM Cc1cccc(-c2ccc(C)c(-c3nnn[n-]3)c2)c1C ZINC001239716936 820543870 /nfs/dbraw/zinc/54/38/70/820543870.db2.gz BKBOTZVQAHCWKJ-UHFFFAOYSA-N -1 3 264.332 3.459 20 0 CGADHM Cc1cccc(-c2ccc(C)c(-c3nn[n-]n3)c2)c1C ZINC001239716936 820543874 /nfs/dbraw/zinc/54/38/74/820543874.db2.gz BKBOTZVQAHCWKJ-UHFFFAOYSA-N -1 3 264.332 3.459 20 0 CGADHM Fc1cc(-c2cnc3ccccc3c2)ccc1-c1nnn[n-]1 ZINC001239795259 820610345 /nfs/dbraw/zinc/61/03/45/820610345.db2.gz OZVQXYXJYLHIDJ-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Fc1cc(-c2cnc3ccccc3c2)ccc1-c1nn[n-]n1 ZINC001239795259 820610352 /nfs/dbraw/zinc/61/03/52/820610352.db2.gz OZVQXYXJYLHIDJ-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM COC(=O)c1nc2nc(-c3ccc(C)cc3C)ccc2[n-]1 ZINC001239811404 820626362 /nfs/dbraw/zinc/62/63/62/820626362.db2.gz XHNYGUNJKCBYPB-UHFFFAOYSA-N -1 3 281.315 3.028 20 0 CGADHM COC(=O)c1nc2ccc(-c3ccc(C)cc3C)nc2[n-]1 ZINC001239811404 820626364 /nfs/dbraw/zinc/62/63/64/820626364.db2.gz XHNYGUNJKCBYPB-UHFFFAOYSA-N -1 3 281.315 3.028 20 0 CGADHM COC(=O)c1nc2ccc(-c3ccc(C)cc3C)[n-]c-2n1 ZINC001239811404 820626369 /nfs/dbraw/zinc/62/63/69/820626369.db2.gz XHNYGUNJKCBYPB-UHFFFAOYSA-N -1 3 281.315 3.028 20 0 CGADHM Cc1ccc(-c2cncc3ccccc32)cc1-c1nnn[n-]1 ZINC001239947927 820729146 /nfs/dbraw/zinc/72/91/46/820729146.db2.gz HTZCNDFAHICAGW-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM Cc1ccc(-c2cncc3ccccc32)cc1-c1nn[n-]n1 ZINC001239947927 820729151 /nfs/dbraw/zinc/72/91/51/820729151.db2.gz HTZCNDFAHICAGW-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM Cc1ccc(-c2cnn(CCC(C)C)c2)cc1-c1nnn[n-]1 ZINC001240421073 821043078 /nfs/dbraw/zinc/04/30/78/821043078.db2.gz QWVSLOVTOCNPRR-UHFFFAOYSA-N -1 3 296.378 3.085 20 0 CGADHM Cc1ccc(-c2cnn(CCC(C)C)c2)cc1-c1nn[n-]n1 ZINC001240421073 821043087 /nfs/dbraw/zinc/04/30/87/821043087.db2.gz QWVSLOVTOCNPRR-UHFFFAOYSA-N -1 3 296.378 3.085 20 0 CGADHM c1ccc(-c2ccc(N3CCCC3)cc2)c(-c2nnn[n-]2)c1 ZINC001240589435 821172032 /nfs/dbraw/zinc/17/20/32/821172032.db2.gz BHPPMCBRCXJXOW-UHFFFAOYSA-N -1 3 291.358 3.134 20 0 CGADHM c1ccc(-c2ccc(N3CCCC3)cc2)c(-c2nn[n-]n2)c1 ZINC001240589435 821172037 /nfs/dbraw/zinc/17/20/37/821172037.db2.gz BHPPMCBRCXJXOW-UHFFFAOYSA-N -1 3 291.358 3.134 20 0 CGADHM CCOC(=O)Cc1ccc(-c2ccc([O-])c(F)c2)cc1 ZINC001240785482 821324917 /nfs/dbraw/zinc/32/49/17/821324917.db2.gz AXDIRBYNGRQHRD-UHFFFAOYSA-N -1 3 274.291 3.304 20 0 CGADHM COC(=O)Nc1cccc(-c2ccc([O-])c(F)c2)c1 ZINC001240786297 821326990 /nfs/dbraw/zinc/32/69/90/821326990.db2.gz FINAXGSEZAUUFB-UHFFFAOYSA-N -1 3 261.252 3.377 20 0 CGADHM O=c1ccc(-c2ccc([O-])c(F)c2)cn1-c1cccc(F)c1 ZINC001240787498 821328228 /nfs/dbraw/zinc/32/82/28/821328228.db2.gz HSTQCKYOCGSPNP-UHFFFAOYSA-N -1 3 299.276 3.488 20 0 CGADHM CC(=O)N1CCCc2cc(-c3ccc([O-])c(F)c3)ccc21 ZINC001240787139 821329429 /nfs/dbraw/zinc/32/94/29/821329429.db2.gz NIRUOIDVGJVZRP-UHFFFAOYSA-N -1 3 285.318 3.497 20 0 CGADHM CCS(=O)(=O)c1ccc(F)c(-c2ccc([O-])c(F)c2)c1 ZINC001240787826 821329897 /nfs/dbraw/zinc/32/98/97/821329897.db2.gz RXOOIENFVACLJY-UHFFFAOYSA-N -1 3 298.310 3.131 20 0 CGADHM COC(=O)[C@@H](C)c1cccc(-c2ccc([O-])c(F)c2)c1 ZINC001240789177 821330500 /nfs/dbraw/zinc/33/05/00/821330500.db2.gz UGUOZSMUTHTPSJ-JTQLQIEISA-N -1 3 274.291 3.475 20 0 CGADHM COc1ccc2c(-c3ccccc3[O-])ncnc2c1OC ZINC001241003495 821481836 /nfs/dbraw/zinc/48/18/36/821481836.db2.gz QBURDIXOZBEALY-UHFFFAOYSA-N -1 3 282.299 3.020 20 0 CGADHM COCCOc1ccc2ncnc(-c3ccccc3[O-])c2c1 ZINC001241007678 821484088 /nfs/dbraw/zinc/48/40/88/821484088.db2.gz IOLNBQHUCYPAKE-UHFFFAOYSA-N -1 3 296.326 3.028 20 0 CGADHM [O-]c1ccccc1-c1cncc(-c2cnc3ccccn32)n1 ZINC001241008155 821485701 /nfs/dbraw/zinc/48/57/01/821485701.db2.gz LVJSATSJSOQXEN-UHFFFAOYSA-N -1 3 288.310 3.164 20 0 CGADHM CCCSc1ncnc(-c2ccccc2[O-])c1OC ZINC001241009099 821485799 /nfs/dbraw/zinc/48/57/99/821485799.db2.gz QRXOZVZBJDKJDB-UHFFFAOYSA-N -1 3 276.361 3.360 20 0 CGADHM [O-]c1ccccc1-c1nc(C2CC2)nc2c1CCC2 ZINC001241007935 821485850 /nfs/dbraw/zinc/48/58/50/821485850.db2.gz CGSZEWPZSSTQCJ-UHFFFAOYSA-N -1 3 252.317 3.215 20 0 CGADHM COc1c(C)cc(-c2ccc(-c3nnn[n-]3)c(F)c2)cc1C ZINC001241017457 821493752 /nfs/dbraw/zinc/49/37/52/821493752.db2.gz HPEVCRBVVJMBIM-UHFFFAOYSA-N -1 3 298.321 3.298 20 0 CGADHM COc1c(C)cc(-c2ccc(-c3nn[n-]n3)c(F)c2)cc1C ZINC001241017457 821493757 /nfs/dbraw/zinc/49/37/57/821493757.db2.gz HPEVCRBVVJMBIM-UHFFFAOYSA-N -1 3 298.321 3.298 20 0 CGADHM Cc1ccc(-c2ccc(OC(C)(C)C)nn2)c([O-])c1 ZINC001241028645 821503612 /nfs/dbraw/zinc/50/36/12/821503612.db2.gz QEMFTARJBHPHBJ-UHFFFAOYSA-N -1 3 258.321 3.335 20 0 CGADHM Cc1ccc(-c2cc(C(F)(F)F)[n-]c(=S)n2)c(O)c1 ZINC001241035968 821511519 /nfs/dbraw/zinc/51/15/19/821511519.db2.gz KEPWVRRRDZNGIF-UHFFFAOYSA-N -1 3 286.278 3.465 20 0 CGADHM COc1cc(-c2ccc(-c3nnn[n-]3)cc2C)ccc1C ZINC001241037016 821512871 /nfs/dbraw/zinc/51/28/71/821512871.db2.gz COVVKMRMQXLVTN-UHFFFAOYSA-N -1 3 280.331 3.159 20 0 CGADHM COc1cc(-c2ccc(-c3nn[n-]n3)cc2C)ccc1C ZINC001241037016 821512874 /nfs/dbraw/zinc/51/28/74/821512874.db2.gz COVVKMRMQXLVTN-UHFFFAOYSA-N -1 3 280.331 3.159 20 0 CGADHM Fc1ccc(F)c(-c2cc(-c3nnn[n-]3)ccc2F)c1F ZINC001241049482 821523483 /nfs/dbraw/zinc/52/34/83/821523483.db2.gz HONVUMHDMUTBFE-UHFFFAOYSA-N -1 3 294.211 3.090 20 0 CGADHM Fc1ccc(F)c(-c2cc(-c3nn[n-]n3)ccc2F)c1F ZINC001241049482 821523489 /nfs/dbraw/zinc/52/34/89/821523489.db2.gz HONVUMHDMUTBFE-UHFFFAOYSA-N -1 3 294.211 3.090 20 0 CGADHM Cc1cc(N(C)C)ncc1-c1c(F)cc([O-])cc1F ZINC001241122498 821579148 /nfs/dbraw/zinc/57/91/48/821579148.db2.gz PYAIZBCZSXEMOK-UHFFFAOYSA-N -1 3 264.275 3.107 20 0 CGADHM CC(C)Oc1cc(F)cc(-c2ccc(-c3nnn[n-]3)cc2)c1 ZINC001241167608 821611900 /nfs/dbraw/zinc/61/19/00/821611900.db2.gz ZQSSKQIMDNARDV-UHFFFAOYSA-N -1 3 298.321 3.460 20 0 CGADHM CC(C)Oc1cc(F)cc(-c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001241167608 821611906 /nfs/dbraw/zinc/61/19/06/821611906.db2.gz ZQSSKQIMDNARDV-UHFFFAOYSA-N -1 3 298.321 3.460 20 0 CGADHM COC(=O)c1nc2nc(-c3cc(C)ccc3C)ccc2[n-]1 ZINC001241192358 821627883 /nfs/dbraw/zinc/62/78/83/821627883.db2.gz HWWFENLROPDCLF-UHFFFAOYSA-N -1 3 281.315 3.028 20 0 CGADHM COC(=O)c1nc2ccc(-c3cc(C)ccc3C)nc2[n-]1 ZINC001241192358 821627888 /nfs/dbraw/zinc/62/78/88/821627888.db2.gz HWWFENLROPDCLF-UHFFFAOYSA-N -1 3 281.315 3.028 20 0 CGADHM COC(=O)c1nc2ccc(-c3cc(C)ccc3C)[n-]c-2n1 ZINC001241192358 821627892 /nfs/dbraw/zinc/62/78/92/821627892.db2.gz HWWFENLROPDCLF-UHFFFAOYSA-N -1 3 281.315 3.028 20 0 CGADHM Fc1cc(-c2ccccc2-c2nnn[n-]2)ccc1Cl ZINC001241231196 821655576 /nfs/dbraw/zinc/65/55/76/821655576.db2.gz MXBAVXKEAJWXPT-UHFFFAOYSA-N -1 3 274.686 3.326 20 0 CGADHM Fc1cc(-c2ccccc2-c2nn[n-]n2)ccc1Cl ZINC001241231196 821655580 /nfs/dbraw/zinc/65/55/80/821655580.db2.gz MXBAVXKEAJWXPT-UHFFFAOYSA-N -1 3 274.686 3.326 20 0 CGADHM CSc1nc2ncnc(-c3cc([O-])cc(F)c3)c2s1 ZINC001241262711 821682802 /nfs/dbraw/zinc/68/28/02/821682802.db2.gz RELUSKUDRLQZGH-UHFFFAOYSA-N -1 3 293.348 3.320 20 0 CGADHM O=C1CCc2cccc(-c3cc([O-])cc(F)c3)c2N1 ZINC001241270810 821688679 /nfs/dbraw/zinc/68/86/79/821688679.db2.gz ATJHTLBPLXFMMW-UHFFFAOYSA-N -1 3 257.264 3.083 20 0 CGADHM O=C1Nc2ccc(-c3cc([O-])cc(F)c3)cc2C12CC2 ZINC001241270829 821688932 /nfs/dbraw/zinc/68/89/32/821688932.db2.gz BQSPSXNLALQVCV-UHFFFAOYSA-N -1 3 269.275 3.182 20 0 CGADHM O=C1Nc2c(cccc2-c2cc([O-])cc(F)c2)C12CC2 ZINC001241271204 821689596 /nfs/dbraw/zinc/68/95/96/821689596.db2.gz MQZIVCALHOTJEK-UHFFFAOYSA-N -1 3 269.275 3.182 20 0 CGADHM CN1CCOc2cc(-c3cc([O-])cc(F)c3)ccc21 ZINC001241272148 821690977 /nfs/dbraw/zinc/69/09/77/821690977.db2.gz NKPLBHZTPWKUCK-UHFFFAOYSA-N -1 3 259.280 3.027 20 0 CGADHM COC(=O)c1c[nH]c2cc(-c3cc([O-])cc(F)c3)ccc21 ZINC001241276904 821695821 /nfs/dbraw/zinc/69/58/21/821695821.db2.gz CXZGOAOEXJCSSH-UHFFFAOYSA-N -1 3 285.274 3.466 20 0 CGADHM O=C1CCc2ccc(-c3c(F)ccc([O-])c3F)cc2N1 ZINC001241291136 821707721 /nfs/dbraw/zinc/70/77/21/821707721.db2.gz KMCSKHRRWYMOID-UHFFFAOYSA-N -1 3 275.254 3.222 20 0 CGADHM COC(=O)c1cccc(F)c1-c1c(F)ccc([O-])c1F ZINC001241293564 821710956 /nfs/dbraw/zinc/71/09/56/821710956.db2.gz JIASXZRBOVRKCG-UHFFFAOYSA-N -1 3 282.217 3.263 20 0 CGADHM [O-]c1ccc(F)c(-c2cncc(-c3ncco3)c2)c1F ZINC001241294966 821712485 /nfs/dbraw/zinc/71/24/85/821712485.db2.gz BXMDXXFFAURCTE-UHFFFAOYSA-N -1 3 274.226 3.387 20 0 CGADHM COc1cc(SC)c(-c2c(F)ccc([O-])c2F)cn1 ZINC001241295230 821714093 /nfs/dbraw/zinc/71/40/93/821714093.db2.gz KCROVILYYNXUSE-UHFFFAOYSA-N -1 3 283.299 3.463 20 0 CGADHM Nc1ccnc2cc(-c3cccc(C(=O)[O-])c3)ccc12 ZINC001241361061 821761985 /nfs/dbraw/zinc/76/19/85/821761985.db2.gz XZTMGODSGBLRSL-UHFFFAOYSA-N -1 3 264.284 3.182 20 0 CGADHM Fc1cc(-c2ccc3ncccc3c2)ccc1-c1nnn[n-]1 ZINC001241398398 821795968 /nfs/dbraw/zinc/79/59/68/821795968.db2.gz CNQVXUJNYRUJMH-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Fc1cc(-c2ccc3ncccc3c2)ccc1-c1nn[n-]n1 ZINC001241398398 821795973 /nfs/dbraw/zinc/79/59/73/821795973.db2.gz CNQVXUJNYRUJMH-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM C1=Cc2cccc(-c3ccc(-c4nnn[n-]4)cc3)c2C1 ZINC001241444555 821838425 /nfs/dbraw/zinc/83/84/25/821838425.db2.gz FITLIXZTXWDRSG-UHFFFAOYSA-N -1 3 260.300 3.103 20 0 CGADHM C1=Cc2cccc(-c3ccc(-c4nn[n-]n4)cc3)c2C1 ZINC001241444555 821838431 /nfs/dbraw/zinc/83/84/31/821838431.db2.gz FITLIXZTXWDRSG-UHFFFAOYSA-N -1 3 260.300 3.103 20 0 CGADHM c1cc2c(cccc2-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC001241445928 821840974 /nfs/dbraw/zinc/84/09/74/821840974.db2.gz WIFKAHIQFXWPAX-UHFFFAOYSA-N -1 3 262.272 3.280 20 0 CGADHM c1cc2c(cccc2-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC001241445928 821840979 /nfs/dbraw/zinc/84/09/79/821840979.db2.gz WIFKAHIQFXWPAX-UHFFFAOYSA-N -1 3 262.272 3.280 20 0 CGADHM Fc1cc2cc[nH]c2cc1-c1ccc(-c2nnn[n-]2)cc1 ZINC001241444886 821841082 /nfs/dbraw/zinc/84/10/82/821841082.db2.gz YHYVBHDPYRGIMA-UHFFFAOYSA-N -1 3 279.278 3.154 20 0 CGADHM Fc1cc2cc[nH]c2cc1-c1ccc(-c2nn[n-]n2)cc1 ZINC001241444886 821841087 /nfs/dbraw/zinc/84/10/87/821841087.db2.gz YHYVBHDPYRGIMA-UHFFFAOYSA-N -1 3 279.278 3.154 20 0 CGADHM CC(C)Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1F ZINC001241444922 821841509 /nfs/dbraw/zinc/84/15/09/821841509.db2.gz ZMNXFFYQVJUOAW-UHFFFAOYSA-N -1 3 298.321 3.460 20 0 CGADHM CC(C)Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1F ZINC001241444922 821841520 /nfs/dbraw/zinc/84/15/20/821841520.db2.gz ZMNXFFYQVJUOAW-UHFFFAOYSA-N -1 3 298.321 3.460 20 0 CGADHM Cc1ncc(-c2ccc(-c3nnn[n-]3)cc2)c2ccccc12 ZINC001241446400 821843059 /nfs/dbraw/zinc/84/30/59/821843059.db2.gz FRROZLFHTCYYSR-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM Cc1ncc(-c2ccc(-c3nn[n-]n3)cc2)c2ccccc12 ZINC001241446400 821843064 /nfs/dbraw/zinc/84/30/64/821843064.db2.gz FRROZLFHTCYYSR-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM Cc1cc(C)c(-c2ccccc2-c2nnn[n-]2)cc1C ZINC001241628499 822006702 /nfs/dbraw/zinc/00/67/02/822006702.db2.gz QAFBLSWERPDGHC-UHFFFAOYSA-N -1 3 264.332 3.459 20 0 CGADHM Cc1cc(C)c(-c2ccccc2-c2nn[n-]n2)cc1C ZINC001241628499 822006707 /nfs/dbraw/zinc/00/67/07/822006707.db2.gz QAFBLSWERPDGHC-UHFFFAOYSA-N -1 3 264.332 3.459 20 0 CGADHM COc1cc(-c2ccc3c(c2)[N-]C(=S)C3)c(F)cn1 ZINC001241666015 822042998 /nfs/dbraw/zinc/04/29/98/822042998.db2.gz VYFOOCDIHZCNLP-UHFFFAOYSA-N -1 3 274.320 3.192 20 0 CGADHM COc1cc(-c2ccc(-c3nnn[n-]3)cc2)ccc1Cl ZINC001241736152 822113825 /nfs/dbraw/zinc/11/38/25/822113825.db2.gz OOVZOUFOUYJETJ-UHFFFAOYSA-N -1 3 286.722 3.196 20 0 CGADHM COc1cc(-c2ccc(-c3nn[n-]n3)cc2)ccc1Cl ZINC001241736152 822113829 /nfs/dbraw/zinc/11/38/29/822113829.db2.gz OOVZOUFOUYJETJ-UHFFFAOYSA-N -1 3 286.722 3.196 20 0 CGADHM C=Cc1cccc(-c2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC001241961278 822248059 /nfs/dbraw/zinc/24/80/59/822248059.db2.gz DMEQCEVHTQATSZ-UHFFFAOYSA-N -1 3 266.279 3.316 20 0 CGADHM C=Cc1cccc(-c2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC001241961278 822248067 /nfs/dbraw/zinc/24/80/67/822248067.db2.gz DMEQCEVHTQATSZ-UHFFFAOYSA-N -1 3 266.279 3.316 20 0 CGADHM [O-]c1ccc(-c2cc3nc[nH]c3cn2)cc1C(F)(F)F ZINC001242151836 822896104 /nfs/dbraw/zinc/89/61/04/822896104.db2.gz VKFCIOLNZWTWFY-UHFFFAOYSA-N -1 3 279.221 3.349 20 0 CGADHM COc1ccc(-c2ccc([O-])c(C(F)(F)F)c2)c(OC)n1 ZINC001242157841 822898959 /nfs/dbraw/zinc/89/89/59/822898959.db2.gz OABOTTCQDUSGAJ-UHFFFAOYSA-N -1 3 299.248 3.490 20 0 CGADHM COC(=O)c1cccc(-c2ccc(F)cc2[O-])c1C ZINC001242216521 822914152 /nfs/dbraw/zinc/91/41/52/822914152.db2.gz ADXQYLUPULIQMA-UHFFFAOYSA-N -1 3 260.264 3.293 20 0 CGADHM CC(=O)O[C@@H]1Cc2ccc(-c3ccc(F)cc3[O-])cc2C1 ZINC001242217363 822914325 /nfs/dbraw/zinc/91/43/25/822914325.db2.gz ATRXITAKAIDAHV-OAHLLOKOSA-N -1 3 286.302 3.229 20 0 CGADHM O=c1ccc2ccc(-c3ccc(F)cc3[O-])cc2o1 ZINC001242219044 822915377 /nfs/dbraw/zinc/91/53/77/822915377.db2.gz IDNQRDSLMWFYSB-UHFFFAOYSA-N -1 3 256.232 3.305 20 0 CGADHM O=c1cc(-c2ccc(F)cc2[O-])ccn1-c1ccc(F)cc1 ZINC001242219551 822916274 /nfs/dbraw/zinc/91/62/74/822916274.db2.gz KJZHMNKVAZDYAU-UHFFFAOYSA-N -1 3 299.276 3.488 20 0 CGADHM Fc1cccc(-c2ccc(Cc3nnn[n-]3)cc2)c1Cl ZINC001242574122 823039332 /nfs/dbraw/zinc/03/93/32/823039332.db2.gz LAWKRRDZMRHUMG-UHFFFAOYSA-N -1 3 288.713 3.250 20 0 CGADHM Fc1cccc(-c2ccc(Cc3nn[n-]n3)cc2)c1Cl ZINC001242574122 823039336 /nfs/dbraw/zinc/03/93/36/823039336.db2.gz LAWKRRDZMRHUMG-UHFFFAOYSA-N -1 3 288.713 3.250 20 0 CGADHM Fc1cc(-c2nnn[n-]2)cc(-c2cccc(F)c2Cl)c1 ZINC001242574920 823039673 /nfs/dbraw/zinc/03/96/73/823039673.db2.gz LBTLOLAOOFTCDG-UHFFFAOYSA-N -1 3 292.676 3.465 20 0 CGADHM Fc1cc(-c2nn[n-]n2)cc(-c2cccc(F)c2Cl)c1 ZINC001242574920 823039678 /nfs/dbraw/zinc/03/96/78/823039678.db2.gz LBTLOLAOOFTCDG-UHFFFAOYSA-N -1 3 292.676 3.465 20 0 CGADHM CCCC[C@@H](CC)COCCC[N-]C(=O)C(F)(F)F ZINC000230842877 928187480 /nfs/dbraw/zinc/18/74/80/928187480.db2.gz ICTVAXQPDDSLGE-LLVKDONJSA-N -1 3 283.334 3.288 20 0 CGADHM Cc1ccc(C(=O)Nc2cnoc2C(C)C)c([O-])c1C ZINC001347307534 936878822 /nfs/dbraw/zinc/87/88/22/936878822.db2.gz OMACOVUOLYIOAG-UHFFFAOYSA-N -1 3 274.320 3.373 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)NC[C@@H]1C[C@H]1C1CCCC1 ZINC001347569877 936888946 /nfs/dbraw/zinc/88/89/46/936888946.db2.gz SAYSIXWRWCSLSJ-KBPBESRZSA-N -1 3 291.366 3.016 20 0 CGADHM C[C@@](NCc1cc(F)cc(F)c1)(C(=O)[O-])c1ccccc1 ZINC001353899934 937080743 /nfs/dbraw/zinc/08/07/43/937080743.db2.gz RYOLIHVGVFCXIL-INIZCTEOSA-N -1 3 291.297 3.054 20 0 CGADHM Cc1cc([N-]C(=O)c2c(C)onc2-c2cccs2)no1 ZINC001356543267 937160645 /nfs/dbraw/zinc/16/06/45/937160645.db2.gz OALCRVKTXHBQBT-UHFFFAOYSA-N -1 3 289.316 3.260 20 0 CGADHM Cc1ccc(CNC(=O)c2c(C)cccc2[O-])c(C)c1 ZINC001441219616 937337395 /nfs/dbraw/zinc/33/73/95/937337395.db2.gz KMPKNJSACWWUAS-UHFFFAOYSA-N -1 3 269.344 3.247 20 0 CGADHM Cc1cccc([O-])c1C(=O)Nc1ccc(-c2ncon2)cc1 ZINC001442929271 937344561 /nfs/dbraw/zinc/34/45/61/937344561.db2.gz JEPVGMPHZZIJJA-UHFFFAOYSA-N -1 3 295.298 3.003 20 0 CGADHM Cc1cccc([O-])c1NC(=O)c1ccc2[nH]cc(C=O)c2c1 ZINC001446719390 937364012 /nfs/dbraw/zinc/36/40/12/937364012.db2.gz OTSGKMVZPQBIHU-UHFFFAOYSA-N -1 3 294.310 3.247 20 0 CGADHM CC[C@H](C)[C@H](NC(=O)c1ccc(C)cc1[O-])C(F)(F)F ZINC001448551612 937374990 /nfs/dbraw/zinc/37/49/90/937374990.db2.gz KSOXIFYIYKSNSK-CABZTGNLSA-N -1 3 289.297 3.407 20 0 CGADHM O=C(Nc1c([O-])cccc1Cl)c1coc(C2CC2)n1 ZINC001450263976 937384786 /nfs/dbraw/zinc/38/47/86/937384786.db2.gz UXBKNIDBGFSENF-UHFFFAOYSA-N -1 3 278.695 3.163 20 0 CGADHM CC(C)c1ccc(C(=O)NC2CC(C)(C)C2)c([O-])c1 ZINC001453837622 937404917 /nfs/dbraw/zinc/40/49/17/937404917.db2.gz ZTYJELBPSRDGQU-UHFFFAOYSA-N -1 3 261.365 3.434 20 0 CGADHM CC(C)CCCCC(=O)Nc1cc(C(=O)OC(C)C)n[n-]1 ZINC001456332447 937429209 /nfs/dbraw/zinc/42/92/09/937429209.db2.gz LEVAOXDVVTXDGH-UHFFFAOYSA-N -1 3 295.383 3.130 20 0 CGADHM CC(C)CCCCC(=O)Nc1cc(C(=O)OC(C)C)[n-]n1 ZINC001456332447 937429211 /nfs/dbraw/zinc/42/92/11/937429211.db2.gz LEVAOXDVVTXDGH-UHFFFAOYSA-N -1 3 295.383 3.130 20 0 CGADHM [O-]c1cccc(OC2CCSCC2)c1Br ZINC001229138554 932102623 /nfs/dbraw/zinc/10/26/23/932102623.db2.gz AVYRVVSUEDSBER-UHFFFAOYSA-N -1 3 289.194 3.429 20 0 CGADHM S=c1nc(OC2CCCC2)c2ccsc2[n-]1 ZINC001229563498 932172572 /nfs/dbraw/zinc/17/25/72/932172572.db2.gz BHEGOEKDZOSZMR-UHFFFAOYSA-N -1 3 252.364 3.301 20 0 CGADHM C[C@@H]1CC(Oc2ccccc2-c2nnn[n-]2)C[C@@H](C)C1 ZINC001229954503 932509892 /nfs/dbraw/zinc/50/98/92/932509892.db2.gz LNRZXPMFFUHTPV-QWRGUYRKSA-N -1 3 272.352 3.070 20 0 CGADHM C[C@@H]1CC(Oc2ccccc2-c2nn[n-]n2)C[C@@H](C)C1 ZINC001229954503 932509894 /nfs/dbraw/zinc/50/98/94/932509894.db2.gz LNRZXPMFFUHTPV-QWRGUYRKSA-N -1 3 272.352 3.070 20 0 CGADHM CC[C@H]1CCCC[C@H]1Oc1ccccc1-c1nnn[n-]1 ZINC001229954730 932510184 /nfs/dbraw/zinc/51/01/84/932510184.db2.gz NYKCBJYLDIXBKI-WCQYABFASA-N -1 3 272.352 3.214 20 0 CGADHM CC[C@H]1CCCC[C@H]1Oc1ccccc1-c1nn[n-]n1 ZINC001229954730 932510190 /nfs/dbraw/zinc/51/01/90/932510190.db2.gz NYKCBJYLDIXBKI-WCQYABFASA-N -1 3 272.352 3.214 20 0 CGADHM O=c1nc2cccc(F)c2c(O[C@@H]2CCC(F)(F)C2)[n-]1 ZINC001231074686 932672190 /nfs/dbraw/zinc/67/21/90/932672190.db2.gz RGVSEWYAPQUXMO-SSDOTTSWSA-N -1 3 284.237 3.041 20 0 CGADHM C[C@@H](Oc1[n-]c(=O)nc2cccc(F)c21)c1ccco1 ZINC001231073739 932672712 /nfs/dbraw/zinc/67/27/12/932672712.db2.gz IZLRRTXQGIKYGL-MRVPVSSYSA-N -1 3 274.251 3.208 20 0 CGADHM O=c1nc2cccc(F)c2c(OC2Cc3ccccc3C2)[n-]1 ZINC001231076233 932672919 /nfs/dbraw/zinc/67/29/19/932672919.db2.gz LTWJLMPEIPRELF-UHFFFAOYSA-N -1 3 296.301 3.021 20 0 CGADHM CCc1ccc(C(=O)NC2(C3CC3)CCC2)c([O-])c1 ZINC001303512903 932827788 /nfs/dbraw/zinc/82/77/88/932827788.db2.gz PGWHNVFUTHJXLO-UHFFFAOYSA-N -1 3 259.349 3.017 20 0 CGADHM C[C@@H]1C[C@@H]1N(Cc1cc(=O)[n-]c(C2CC2)n1)c1ccccc1 ZINC001307838326 933006639 /nfs/dbraw/zinc/00/66/39/933006639.db2.gz UEPUCOMUHZMICK-WBMJQRKESA-N -1 3 295.386 3.475 20 0 CGADHM CSc1ccc([O-])c(C(=O)NCCc2cccs2)c1 ZINC001463561078 937676296 /nfs/dbraw/zinc/67/62/96/937676296.db2.gz NNJJMSXTTGDHAR-UHFFFAOYSA-N -1 3 293.413 3.148 20 0 CGADHM CCS[C@@H]1CCC[C@H]1NC(=O)c1ccc(CC)cc1[O-] ZINC001465732274 937703501 /nfs/dbraw/zinc/70/35/01/937703501.db2.gz IFNSOYOYVVTWDO-UKRRQHHQSA-N -1 3 293.432 3.359 20 0 CGADHM O=C(Nc1ncccc1[O-])c1cc2c(cccc2C2CC2)[nH]1 ZINC001466805753 937712675 /nfs/dbraw/zinc/71/26/75/937712675.db2.gz VDNOVTKWNKYVEG-UHFFFAOYSA-N -1 3 293.326 3.398 20 0 CGADHM O=C(Nc1ncccc1[O-])C1(C2CCCCC2)CC1 ZINC001466805246 937712485 /nfs/dbraw/zinc/71/24/85/937712485.db2.gz CTCRWGOMUXBJNT-UHFFFAOYSA-N -1 3 260.337 3.086 20 0 CGADHM Cc1ccc(C(=O)Nc2cccc3cnncc32)c([O-])c1C ZINC001466881118 937713385 /nfs/dbraw/zinc/71/33/85/937713385.db2.gz QKHOQLYLTJAIEQ-UHFFFAOYSA-N -1 3 293.326 3.205 20 0 CGADHM O=C(Nc1c([O-])cccc1Cl)c1cccc2[nH]cnc21 ZINC001468456229 937728261 /nfs/dbraw/zinc/72/82/61/937728261.db2.gz WETXRUKVYSYRCQ-UHFFFAOYSA-N -1 3 287.706 3.174 20 0 CGADHM Cc1noc([N-]C(=O)c2ccc(-c3cccs3)s2)n1 ZINC001320023309 933980995 /nfs/dbraw/zinc/98/09/95/933980995.db2.gz UWDZKSFZWBSQMT-UHFFFAOYSA-N -1 3 291.357 3.420 20 0 CGADHM CC(C)[C@@H](CC(=O)[O-])NCc1csc(C(C)(C)C)n1 ZINC001320872231 934115346 /nfs/dbraw/zinc/11/53/46/934115346.db2.gz JWXHBVYZCQHVNM-LLVKDONJSA-N -1 3 284.425 3.030 20 0 CGADHM CC1(C)C[C@@]1(NC(=O)c1ccc(O)cc1[O-])c1ccccc1 ZINC001470491219 937753788 /nfs/dbraw/zinc/75/37/88/937753788.db2.gz FGBKVTZHXYENGD-GOSISDBHSA-N -1 3 297.354 3.153 20 0 CGADHM CC[C@H](CC(=O)[N-]Oc1ccccc1F)C(C)C ZINC001471717494 937768881 /nfs/dbraw/zinc/76/88/81/937768881.db2.gz SBEZMOMSJRXOAI-LLVKDONJSA-N -1 3 253.317 3.308 20 0 CGADHM CC(C)c1oncc1NC(=O)c1cc([O-])ccc1Cl ZINC001471850567 937769825 /nfs/dbraw/zinc/76/98/25/937769825.db2.gz NJHNNYVMEASWDO-UHFFFAOYSA-N -1 3 280.711 3.409 20 0 CGADHM CC(C)c1nc(C[N-]c2nnc(C(F)(F)F)o2)cs1 ZINC001324448147 934505817 /nfs/dbraw/zinc/50/58/17/934505817.db2.gz WHTZYHFIYGWKTF-UHFFFAOYSA-N -1 3 292.286 3.280 20 0 CGADHM CCOC([O-])=NOCCc1cc(Cl)cc(Cl)c1 ZINC001325763623 934927747 /nfs/dbraw/zinc/92/77/47/934927747.db2.gz KVUWEYDGKDWGPJ-UHFFFAOYSA-N -1 3 278.135 3.214 20 0 CGADHM CCOC(=O)[N-]OCCc1cc(Cl)cc(Cl)c1 ZINC001325763623 934927750 /nfs/dbraw/zinc/92/77/50/934927750.db2.gz KVUWEYDGKDWGPJ-UHFFFAOYSA-N -1 3 278.135 3.214 20 0 CGADHM CCc1ccc(C(=O)N(C)[C@H]2CC[C@H](SC)C2)c([O-])c1 ZINC001326159436 934954202 /nfs/dbraw/zinc/95/42/02/934954202.db2.gz AKNZDHWQHLCNGU-STQMWFEESA-N -1 3 293.432 3.311 20 0 CGADHM Cc1noc(C2CC2)c1[N-]C(=O)c1cc2ncccc2o1 ZINC001333957235 936077892 /nfs/dbraw/zinc/07/78/92/936077892.db2.gz DXWBDBUJRRXECU-UHFFFAOYSA-N -1 3 283.287 3.254 20 0 CGADHM CC(C)c1nc(CNCC2(C(=O)[O-])CCCCC2)cs1 ZINC001334018279 936078603 /nfs/dbraw/zinc/07/86/03/936078603.db2.gz ZMUVUACIVNNNRY-UHFFFAOYSA-N -1 3 296.436 3.391 20 0 CGADHM Cc1nc(CN2[C@H](C)C[C@H](C)[C@@H](C(=O)[O-])[C@H]2C)c(C)s1 ZINC001334739809 936110993 /nfs/dbraw/zinc/11/09/93/936110993.db2.gz YQYLKMDJLYIRIO-HGUJLJSRSA-N -1 3 296.436 3.080 20 0 CGADHM CCCn1ncc(C(=O)Nc2cc(Cl)ccc2[O-])c1C ZINC001335832158 936163117 /nfs/dbraw/zinc/16/31/17/936163117.db2.gz OMAMOCVFQBPSTG-UHFFFAOYSA-N -1 3 293.754 3.213 20 0 CGADHM Cc1cccc([O-])c1C(=O)Nc1cccc2c1ccn2C ZINC001546199044 937828164 /nfs/dbraw/zinc/82/81/64/937828164.db2.gz KXRCANVDLZGTBI-UHFFFAOYSA-N -1 3 280.327 3.445 20 0 CGADHM Cc1nsc([N-]C(=O)c2cscc2C(F)(F)F)n1 ZINC001524005399 938042191 /nfs/dbraw/zinc/04/21/91/938042191.db2.gz TVZREGJCHHUTAU-UHFFFAOYSA-N -1 3 293.295 3.179 20 0 CGADHM O=C([N-]OCC1CC1)[C@@H]1C2CCC(CC2)[C@H]1C(F)(F)F ZINC001552144253 938190228 /nfs/dbraw/zinc/19/02/28/938190228.db2.gz IWPBKZACPTUFFS-KIDURHIOSA-N -1 3 291.313 3.059 20 0 CGADHM CCc1cccc(C(=O)NN2CCCc3ccccc32)c1[O-] ZINC001556320834 938203279 /nfs/dbraw/zinc/20/32/79/938203279.db2.gz BHULVESXFSAAQE-UHFFFAOYSA-N -1 3 296.370 3.052 20 0 CGADHM C=C/C=C/CCNC(=O)c1ccc(C(C)C)cc1[O-] ZINC001558153448 938213859 /nfs/dbraw/zinc/21/38/59/938213859.db2.gz XVSLDFDYAPOYCL-AATRIKPKSA-N -1 3 259.349 3.378 20 0 CGADHM Cc1cccc([O-])c1C(=O)NN1CCC(C(C)(C)C)CC1 ZINC001558976935 938218825 /nfs/dbraw/zinc/21/88/25/938218825.db2.gz NWMWYJRWMJSHJO-UHFFFAOYSA-N -1 3 290.407 3.104 20 0 CGADHM O=C([O-])CCCCN1CC2(CCC2)[C@@H]1c1ccco1 ZINC001595040732 951420707 /nfs/dbraw/zinc/42/07/07/951420707.db2.gz PZJQLNDXHOPXJD-AWEZNQCLSA-N -1 3 263.337 3.062 20 0 CGADHM CC1=C(C)CN(Cc2ccc(C(=O)[O-])c(F)c2)CC1 ZINC000382506863 971818998 /nfs/dbraw/zinc/81/89/98/971818998.db2.gz YGDQTAIWBCVDCR-UHFFFAOYSA-N -1 3 263.312 3.066 20 0 CGADHM O=C([O-])[C@@H]1CN(CC2CC3(CCC3)C2)Cc2ccccc21 ZINC001594954219 954973878 /nfs/dbraw/zinc/97/38/78/954973878.db2.gz ZXPPLFOWTLFRCG-MRXNPFEDSA-N -1 3 285.387 3.251 20 0 CGADHM Cn1c(CNCc2cccc(C(=O)[O-])c2)cc2ccccc21 ZINC001594520593 955455200 /nfs/dbraw/zinc/45/52/00/955455200.db2.gz VFXQJQMPQHFQGY-UHFFFAOYSA-N -1 3 294.354 3.166 20 0 CGADHM C[C@H](c1c(F)cccc1F)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC000086783668 957989894 /nfs/dbraw/zinc/98/98/94/957989894.db2.gz QNKKAJJEOAWPPI-MEBBXXQBSA-N -1 3 283.318 3.213 20 0 CGADHM C[C@@H](NCc1cccc(C(=O)[O-])c1)c1cc2cnccc2o1 ZINC001603250757 972421913 /nfs/dbraw/zinc/42/19/13/972421913.db2.gz LGUGFLHPCDCCCB-LLVKDONJSA-N -1 3 296.326 3.377 20 0 CGADHM O=C([O-])C1(C[NH2+]Cc2cc([O-])cc(Cl)c2)CCCCC1 ZINC001601707389 960544330 /nfs/dbraw/zinc/54/43/30/960544330.db2.gz FXTOPPBKRGGDNS-UHFFFAOYSA-N -1 3 297.782 3.170 20 0 CGADHM CC(C)=CCCSc1cccc(-c2nnn[n-]2)c1 ZINC001573942949 962297907 /nfs/dbraw/zinc/29/79/07/962297907.db2.gz QSDFGDPBVVTIMU-UHFFFAOYSA-N -1 3 260.366 3.315 20 0 CGADHM CC(C)=CCCSc1cccc(-c2nn[n-]n2)c1 ZINC001573942949 962297929 /nfs/dbraw/zinc/29/79/29/962297929.db2.gz QSDFGDPBVVTIMU-UHFFFAOYSA-N -1 3 260.366 3.315 20 0 CGADHM O=C([O-])c1ccccc1OCCN1CC[C@H]1c1ccccc1 ZINC001574815423 962323637 /nfs/dbraw/zinc/32/36/37/962323637.db2.gz VDAVMWHIKUUKQS-INIZCTEOSA-N -1 3 297.354 3.211 20 0 CGADHM Cc1ccc(C)c(SCc2cc(-c3nnn[n-]3)ccn2)c1 ZINC001581182954 962755752 /nfs/dbraw/zinc/75/57/52/962755752.db2.gz SMEIXARGOPTQAB-UHFFFAOYSA-N -1 3 297.387 3.171 20 0 CGADHM Cc1ccc(C)c(SCc2cc(-c3nn[n-]n3)ccn2)c1 ZINC001581182954 962755762 /nfs/dbraw/zinc/75/57/62/962755762.db2.gz SMEIXARGOPTQAB-UHFFFAOYSA-N -1 3 297.387 3.171 20 0 CGADHM Cc1cccc([O-])c1C(=O)Nc1ccc2c(c1)COC(=O)N2 ZINC001584625230 962942336 /nfs/dbraw/zinc/94/23/36/962942336.db2.gz NKTSTPXUNWKAQQ-UHFFFAOYSA-N -1 3 298.298 3.015 20 0 CGADHM CCc1ccc([O-])c(C(=O)N(C)c2ccc(O)c(C)c2)c1 ZINC001587082450 963170648 /nfs/dbraw/zinc/17/06/48/963170648.db2.gz PUGYWKLKRIDIAK-UHFFFAOYSA-N -1 3 285.343 3.245 20 0 CGADHM Cc1cccc([O-])c1C(=O)NCc1cccc(Cl)c1F ZINC001587069640 963170733 /nfs/dbraw/zinc/17/07/33/963170733.db2.gz UKWHMVHWRDWDHY-UHFFFAOYSA-N -1 3 293.725 3.423 20 0 CGADHM CC(=O)c1ccc(-c2nnn[n-]2)c(N[C@H]2CCC(C)(C)C2)c1 ZINC001588902736 963328710 /nfs/dbraw/zinc/32/87/10/963328710.db2.gz FGFWALBSHDOPAE-LBPRGKRZSA-N -1 3 299.378 3.060 20 0 CGADHM CC(=O)c1ccc(-c2nn[n-]n2)c(N[C@H]2CCC(C)(C)C2)c1 ZINC001588902736 963328717 /nfs/dbraw/zinc/32/87/17/963328717.db2.gz FGFWALBSHDOPAE-LBPRGKRZSA-N -1 3 299.378 3.060 20 0 CGADHM C[C@@H](NCCC(C)(C)C1CC1)c1ncc(C(=O)[O-])s1 ZINC000314734014 963799927 /nfs/dbraw/zinc/79/99/27/963799927.db2.gz AVVIBPQTVCSYHW-SECBINFHSA-N -1 3 282.409 3.318 20 0 CGADHM CCCC1(CN[C@H](C)c2ncc(C(=O)[O-])s2)CC1 ZINC000314770543 963807877 /nfs/dbraw/zinc/80/78/77/963807877.db2.gz IKUMMMPMFTVMJT-SECBINFHSA-N -1 3 268.382 3.072 20 0 CGADHM CC(C)(CCN1CCc2c1cccc2-c1nnn[n-]1)C1CC1 ZINC001589276319 963977753 /nfs/dbraw/zinc/97/77/53/963977753.db2.gz OCLKHUYZVGEYBP-UHFFFAOYSA-N -1 3 297.406 3.056 20 0 CGADHM CC(C)(CCN1CCc2c1cccc2-c1nn[n-]n1)C1CC1 ZINC001589276319 963977761 /nfs/dbraw/zinc/97/77/61/963977761.db2.gz OCLKHUYZVGEYBP-UHFFFAOYSA-N -1 3 297.406 3.056 20 0 CGADHM CC(C)(CCN1CCc2ccc(-c3nnn[n-]3)cc21)C1CC1 ZINC001589275995 963979949 /nfs/dbraw/zinc/97/99/49/963979949.db2.gz IUFNVBUUQIDPHT-UHFFFAOYSA-N -1 3 297.406 3.056 20 0 CGADHM CC(C)(CCN1CCc2ccc(-c3nn[n-]n3)cc21)C1CC1 ZINC001589275995 963979954 /nfs/dbraw/zinc/97/99/54/963979954.db2.gz IUFNVBUUQIDPHT-UHFFFAOYSA-N -1 3 297.406 3.056 20 0 CGADHM CC(C)=CCNc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC001589379284 963986279 /nfs/dbraw/zinc/98/62/79/963986279.db2.gz GRKMGUSFNUNZHM-UHFFFAOYSA-N -1 3 287.367 3.032 20 0 CGADHM CC(C)=CCNc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC001589379284 963986286 /nfs/dbraw/zinc/98/62/86/963986286.db2.gz GRKMGUSFNUNZHM-UHFFFAOYSA-N -1 3 287.367 3.032 20 0 CGADHM CC(C)=CCSc1ccc(-c2nnn[n-]2)cc1F ZINC001589379927 963986364 /nfs/dbraw/zinc/98/63/64/963986364.db2.gz GDUODVSQJASVME-UHFFFAOYSA-N -1 3 264.329 3.064 20 0 CGADHM CC(C)=CCSc1ccc(-c2nn[n-]n2)cc1F ZINC001589379927 963986371 /nfs/dbraw/zinc/98/63/71/963986371.db2.gz GDUODVSQJASVME-UHFFFAOYSA-N -1 3 264.329 3.064 20 0 CGADHM CCCc1nc(CN[C@@]2(C(=O)[O-])CC[C@H](C)CC2)cs1 ZINC001596089120 983410590 /nfs/dbraw/zinc/41/05/90/983410590.db2.gz BQIKZLBQRCQUIZ-FUKZOUPISA-N -1 3 296.436 3.219 20 0 CGADHM CCCc1nc(CN[C@@H](CC(=O)[O-])C(C)(C)C)cs1 ZINC001596090332 983415508 /nfs/dbraw/zinc/41/55/08/983415508.db2.gz ZKJMQUIXCHJJOE-NSHDSACASA-N -1 3 284.425 3.075 20 0 CGADHM CCOc1c(Cl)cccc1CN1CC[C@H](C(=O)[O-])[C@@H]1C ZINC001596993179 986282392 /nfs/dbraw/zinc/28/23/92/986282392.db2.gz YNPVFHHMDZZPPJ-JQWIXIFHSA-N -1 3 297.782 3.034 20 0 CGADHM CC[C@@H](N[C@H](C(=O)[O-])c1cccnc1)c1ccc(F)cc1 ZINC001597291676 987380788 /nfs/dbraw/zinc/38/07/88/987380788.db2.gz RMTZHJXMRNDNPB-CABCVRRESA-N -1 3 288.322 3.087 20 0 CGADHM CCc1ccc(C(C)(C)NCc2cncc(C(=O)[O-])c2)cc1 ZINC001597511795 988093385 /nfs/dbraw/zinc/09/33/85/988093385.db2.gz ICFXVOALWCNWLS-UHFFFAOYSA-N -1 3 298.386 3.367 20 0 CGADHM CSCCCN(C)Cc1c(Cl)cccc1C(=O)[O-] ZINC001599799160 988146201 /nfs/dbraw/zinc/14/62/01/988146201.db2.gz SYPOJUKWXCYERH-UHFFFAOYSA-N -1 3 287.812 3.223 20 0 CGADHM CCc1ccc([C@@H](C)NCc2ccc(C(=O)[O-])n2C)cc1 ZINC001597562402 988306360 /nfs/dbraw/zinc/30/63/60/988306360.db2.gz FWGRRJPZGHIVLJ-GFCCVEGCSA-N -1 3 286.375 3.137 20 0 CGADHM CCc1cccc(CN[C@@](C)(CC(=O)[O-])c2ccncc2)c1 ZINC001597587507 988412900 /nfs/dbraw/zinc/41/29/00/988412900.db2.gz ZWAXMAIBNOKXID-SFHVURJKSA-N -1 3 298.386 3.124 20 0 CGADHM CCc1oc(CN2CC3(CCC3)[C@@H]2C2CC2)cc1C(=O)[O-] ZINC001597797188 989360294 /nfs/dbraw/zinc/36/02/94/989360294.db2.gz XABLDFSUIWIMKV-HNNXBMFYSA-N -1 3 289.375 3.305 20 0 CGADHM C[C@H](NC1([C@@H]2CCCCO2)CCC1)c1cc(C(=O)[O-])co1 ZINC001593210537 994249486 /nfs/dbraw/zinc/24/94/86/994249486.db2.gz QFVNLMXQSHGEFQ-FZMZJTMJSA-N -1 3 293.363 3.120 20 0 CGADHM C[C@@H](NCCCc1cccs1)c1ncc(C(=O)[O-])s1 ZINC001593266515 994581394 /nfs/dbraw/zinc/58/13/94/994581394.db2.gz FGIYUIKVKSTJGT-SECBINFHSA-N -1 3 296.417 3.186 20 0 CGADHM C[C@H](NCc1c(Cl)cccc1Cl)[C@H]1C[C@@H]1C(=O)[O-] ZINC001593286328 994643986 /nfs/dbraw/zinc/64/39/86/994643986.db2.gz QKPPLKGGDHSLTF-YIZRAAEISA-N -1 3 288.174 3.192 20 0 CGADHM C[C@@H](Oc1ccccc1CN1CC(C)(C)C1(C)C)C(=O)[O-] ZINC001593644357 995960817 /nfs/dbraw/zinc/96/08/17/995960817.db2.gz ILWNNUSLIFOICW-GFCCVEGCSA-N -1 3 291.391 3.159 20 0 CGADHM CC1=C(c2ccco2)CN(Cc2ccc(C(=O)[O-])cn2)CC1 ZINC001594109335 998192198 /nfs/dbraw/zinc/19/21/98/998192198.db2.gz DPVVWZWDZQOFNU-UHFFFAOYSA-N -1 3 298.342 3.052 20 0 CGADHM C[C@@H]1CC[C@@](NCc2cccnc2)(C(=O)[O-])c2ccccc21 ZINC001594321453 999235925 /nfs/dbraw/zinc/23/59/25/999235925.db2.gz ROTUPGVPDVEXKP-ACJLOTCBSA-N -1 3 296.370 3.049 20 0 CGADHM Cc1cccc(C(=O)N2CCOc3ccccc3[C@@H]2C)c1[O-] ZINC000621141869 349462968 /nfs/dbraw/zinc/46/29/68/349462968.db2.gz MFSUYJXOIJLZEF-ZDUSSCGKSA-N -1 3 297.354 3.296 20 0 CGADHM C[C@H]1CCCCN1C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621263906 349485509 /nfs/dbraw/zinc/48/55/09/349485509.db2.gz KASIOBBHCGWAOR-VIFPVBQESA-N -1 3 287.281 3.426 20 0 CGADHM CC(C)(C)c1ccc(NC(=O)CCc2ccncn2)c([O-])c1 ZINC000337427467 214075873 /nfs/dbraw/zinc/07/58/73/214075873.db2.gz SXQQRDYUKLDQDX-UHFFFAOYSA-N -1 3 299.374 3.051 20 0 CGADHM CC(C)(C)c1ccc(NC(=O)c2cncc(F)c2)c([O-])c1 ZINC000337438708 214081759 /nfs/dbraw/zinc/08/17/59/214081759.db2.gz YKOKSAHPOMRBMV-UHFFFAOYSA-N -1 3 288.322 3.476 20 0 CGADHM COCC1(C(=O)Nc2ccc(C)cc2[O-])CCCCC1 ZINC000621318747 349494645 /nfs/dbraw/zinc/49/46/45/349494645.db2.gz BHFJIDVGWYTFSJ-UHFFFAOYSA-N -1 3 277.364 3.236 20 0 CGADHM O=C([O-])c1ccc2c(c1)CN(CCCc1ccccc1)CC2 ZINC000082791417 178297018 /nfs/dbraw/zinc/29/70/18/178297018.db2.gz MZMHCLSLOQALGP-UHFFFAOYSA-N -1 3 295.382 3.376 20 0 CGADHM [O-]c1ccc(F)c(CN2CCC[C@@H]3CCC[C@@H]32)c1F ZINC000350703430 219048821 /nfs/dbraw/zinc/04/88/21/219048821.db2.gz WCMLBAVYVUWOGL-GWCFXTLKSA-N -1 3 267.319 3.435 20 0 CGADHM Cc1ncc(C(=O)N2CC[C@@H](C)c3cccc([O-])c32)s1 ZINC000186269059 282143308 /nfs/dbraw/zinc/14/33/08/282143308.db2.gz XPXJSEFEFCAGDK-SECBINFHSA-N -1 3 288.372 3.311 20 0 CGADHM CC[C@]1(C(C)C)C[C@H]1NC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000412429995 529391461 /nfs/dbraw/zinc/39/14/61/529391461.db2.gz UDNBICKRXUSWHG-NVXWUHKLSA-N -1 3 289.375 3.149 20 0 CGADHM CC[C@@H](NC(=O)c1cc([O-])cc(C(F)(F)F)c1)C(F)F ZINC000622072235 349626500 /nfs/dbraw/zinc/62/65/00/349626500.db2.gz KHQXOXOAIAFTLW-SECBINFHSA-N -1 3 297.223 3.185 20 0 CGADHM O=C(NCC[C@@H]1CC1(F)F)c1cc2c(cc1[O-])CCCC2 ZINC000622202053 349649438 /nfs/dbraw/zinc/64/94/38/349649438.db2.gz XJTNKIGYZNZKMU-GFCCVEGCSA-N -1 3 295.329 3.046 20 0 CGADHM Cc1ccc([O-])c(CNCc2ccc([C@H]3C[C@@H]3C)o2)n1 ZINC000590881343 346882919 /nfs/dbraw/zinc/88/29/19/346882919.db2.gz WGWCHBWKTVBJQM-GWCFXTLKSA-N -1 3 272.348 3.102 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CC(C)(c3ccccc3)C2)c1 ZINC000622210835 349651983 /nfs/dbraw/zinc/65/19/83/349651983.db2.gz GAARNNJHISEBEZ-UHFFFAOYSA-N -1 3 295.382 3.368 20 0 CGADHM CCc1cnc(NC(=O)c2cccc(CC)c2[O-])s1 ZINC000622398871 349676748 /nfs/dbraw/zinc/67/67/48/349676748.db2.gz OLTFMVFQQWINOQ-UHFFFAOYSA-N -1 3 276.361 3.226 20 0 CGADHM CC(C)CC1(CNC(=O)c2ccccc2[O-])CCC1 ZINC000622426560 349677688 /nfs/dbraw/zinc/67/76/88/349677688.db2.gz OLMQIQGHIWHIGD-UHFFFAOYSA-N -1 3 261.365 3.338 20 0 CGADHM CCc1ccc(C(=O)NCCOC2CCCCC2)c([O-])c1 ZINC000622323152 349671886 /nfs/dbraw/zinc/67/18/86/349671886.db2.gz UXSBACJBEWZVQI-UHFFFAOYSA-N -1 3 291.391 3.034 20 0 CGADHM CCc1cccc(C(=O)NC2CCC3(CC3)CC2)c1[O-] ZINC000622557522 349686268 /nfs/dbraw/zinc/68/62/68/349686268.db2.gz MBXKUMBOWFXLQO-UHFFFAOYSA-N -1 3 273.376 3.407 20 0 CGADHM CCc1ccc([O-])c(C(=O)NCc2cc(C)cc(OC)c2)c1 ZINC000622457648 349681213 /nfs/dbraw/zinc/68/12/13/349681213.db2.gz HIFSRYKORNXRNM-UHFFFAOYSA-N -1 3 299.370 3.202 20 0 CGADHM O=C(c1cc([O-])ccc1Cl)N1Cc2cccc(F)c2C1 ZINC000622693417 349694991 /nfs/dbraw/zinc/69/49/91/349694991.db2.gz IHHKJDPERRNVAE-UHFFFAOYSA-N -1 3 291.709 3.341 20 0 CGADHM CCc1ccc(C(=O)N[C@@H](C2CC2)C2CCC2)c([O-])c1 ZINC000622681149 349693891 /nfs/dbraw/zinc/69/38/91/349693891.db2.gz CUACWHHRUSBJHP-MRXNPFEDSA-N -1 3 273.376 3.263 20 0 CGADHM CCc1ccc(C(=O)N[C@H](C2CC2)C2CCC2)c([O-])c1 ZINC000622681148 349694074 /nfs/dbraw/zinc/69/40/74/349694074.db2.gz CUACWHHRUSBJHP-INIZCTEOSA-N -1 3 273.376 3.263 20 0 CGADHM CCc1ccc([O-])c(C(=O)N(C)c2ccc(OC)cc2)c1 ZINC000622739859 349698773 /nfs/dbraw/zinc/69/87/73/349698773.db2.gz CMWHLBVBOMRNAL-UHFFFAOYSA-N -1 3 285.343 3.240 20 0 CGADHM CC[C@@H](C[C@H](C)CO)NC(=O)c1ccc(C(C)C)cc1[O-] ZINC000436909352 529537839 /nfs/dbraw/zinc/53/78/39/529537839.db2.gz YPGDTEFZDBYKCE-JSGCOSHPSA-N -1 3 293.407 3.043 20 0 CGADHM O=C(N[C@H](C1CCC1)C1CCCC1)c1ccccc1[O-] ZINC000622736976 349697718 /nfs/dbraw/zinc/69/77/18/349697718.db2.gz PANKTYHQAXAPBJ-INIZCTEOSA-N -1 3 273.376 3.481 20 0 CGADHM CCc1ccc(C(=O)N2CC[C@H](CC(C)C)C2)c([O-])c1 ZINC000436832662 529599988 /nfs/dbraw/zinc/59/99/88/529599988.db2.gz JQASAAMJNIMHBU-CQSZACIVSA-N -1 3 275.392 3.463 20 0 CGADHM CCc1ccc(C(=O)N2CC[C@@H]2Cc2ccccc2)c([O-])c1 ZINC000436831018 529600122 /nfs/dbraw/zinc/60/01/22/529600122.db2.gz FERUUNKHCFRQMB-MRXNPFEDSA-N -1 3 295.382 3.412 20 0 CGADHM CCc1ccc(C(=O)N2C[C@H](C)C[C@H]2CC)c([O-])c1 ZINC000436833841 529601427 /nfs/dbraw/zinc/60/14/27/529601427.db2.gz NAVRVSIZJJSORC-DGCLKSJQSA-N -1 3 261.365 3.215 20 0 CGADHM CCc1ccc(C(=O)NCCCc2cccc(C)n2)c([O-])c1 ZINC000436825535 529603217 /nfs/dbraw/zinc/60/32/17/529603217.db2.gz LRUDUSQRTWEZTL-UHFFFAOYSA-N -1 3 298.386 3.021 20 0 CGADHM CCN(CCC(F)(F)F)C(=O)c1ccc(C)cc1[O-] ZINC000623059542 349755822 /nfs/dbraw/zinc/75/58/22/349755822.db2.gz FYFDGZSXUUTISC-UHFFFAOYSA-N -1 3 275.270 3.115 20 0 CGADHM CCc1cnccc1CNC(=O)c1ccc(C(C)C)cc1[O-] ZINC000436951119 529674269 /nfs/dbraw/zinc/67/42/69/529674269.db2.gz PRQZYMIXHGEUJJ-UHFFFAOYSA-N -1 3 298.386 3.403 20 0 CGADHM CC[C@H](C)C[C@@H](C)NC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000412142844 529678498 /nfs/dbraw/zinc/67/84/98/529678498.db2.gz CJRREVRWLZVLMJ-WDEREUQCSA-N -1 3 277.364 3.149 20 0 CGADHM COc1ccc(C(=O)N[C@H]2CCc3c2cccc3C)c([O-])c1 ZINC000591465121 346925187 /nfs/dbraw/zinc/92/51/87/346925187.db2.gz ZPOGRDDOYKQRLM-INIZCTEOSA-N -1 3 297.354 3.127 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CCCC[C@@H]2CC)c1 ZINC000436754644 529690318 /nfs/dbraw/zinc/69/03/18/529690318.db2.gz JDKLBIBNPKTZQL-ZDUSSCGKSA-N -1 3 261.365 3.359 20 0 CGADHM CCc1ocnc1C(=O)[N-]c1ccccc1SC ZINC000351293036 219088198 /nfs/dbraw/zinc/08/81/98/219088198.db2.gz XCNWAHCUZZAEEO-UHFFFAOYSA-N -1 3 262.334 3.211 20 0 CGADHM CCc1nc(C)c(NC(=O)c2cc(C)ccc2[O-])s1 ZINC000436640151 529728401 /nfs/dbraw/zinc/72/84/01/529728401.db2.gz GQJFNAVKIPTUIT-UHFFFAOYSA-N -1 3 276.361 3.280 20 0 CGADHM CCC(F)(F)CNCc1cc([O-])ccc1Br ZINC000623679913 349865494 /nfs/dbraw/zinc/86/54/94/349865494.db2.gz PNCYYRFPUVLTDR-UHFFFAOYSA-N -1 3 294.139 3.290 20 0 CGADHM Cc1cccc(C(=O)N2CCCc3sccc3C2)c1[O-] ZINC000593421954 347075335 /nfs/dbraw/zinc/07/53/35/347075335.db2.gz ASQIGOVBMDBSPT-UHFFFAOYSA-N -1 3 287.384 3.351 20 0 CGADHM CCN(CCc1cccs1)C(=O)c1c(C)cccc1[O-] ZINC000623928521 349919878 /nfs/dbraw/zinc/91/98/78/349919878.db2.gz RVSCMOAXJANRNF-UHFFFAOYSA-N -1 3 289.400 3.467 20 0 CGADHM O=C(c1c[n-]nc1-c1ccccc1)N1CCc2ccccc21 ZINC000021278825 344893084 /nfs/dbraw/zinc/89/30/84/344893084.db2.gz PFGBPUIOOPQNNQ-UHFFFAOYSA-N -1 3 289.338 3.280 20 0 CGADHM O=C(CCc1ccccc1O)Nc1cc(Cl)ccc1[O-] ZINC000067145348 345315909 /nfs/dbraw/zinc/31/59/09/345315909.db2.gz CJVATURBJMMKJM-UHFFFAOYSA-N -1 3 291.734 3.323 20 0 CGADHM Cc1[nH]c2ccc(CNC(=O)c3ccccc3[O-])cc2c1C ZINC000065216939 345269632 /nfs/dbraw/zinc/26/96/32/345269632.db2.gz ALEFOGBOYSFNGC-UHFFFAOYSA-N -1 3 294.354 3.420 20 0 CGADHM CCCCN(C)C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000065617251 345275795 /nfs/dbraw/zinc/27/57/95/345275795.db2.gz FVBNCKMXCVQDMN-UHFFFAOYSA-N -1 3 261.365 3.143 20 0 CGADHM Cc1cc(CN2CCCCC[C@@H]2C)oc1C(=O)[O-] ZINC000070410248 345391324 /nfs/dbraw/zinc/39/13/24/345391324.db2.gz PLATWSNXZNDTDK-NSHDSACASA-N -1 3 251.326 3.051 20 0 CGADHM c1ccc2c(c1)ccnc2C[N-]c1nc(C2CC2)no1 ZINC000076683060 345547423 /nfs/dbraw/zinc/54/74/23/345547423.db2.gz MCLLLIVYLKPZIS-UHFFFAOYSA-N -1 3 266.304 3.107 20 0 CGADHM O=C(Nc1ccc([O-])cc1Cl)[C@H]1CC=CCC1 ZINC000085204953 345745070 /nfs/dbraw/zinc/74/50/70/345745070.db2.gz NKNLDHAPAGSDJC-VIFPVBQESA-N -1 3 251.713 3.340 20 0 CGADHM Cc1cc(C)c2[n-]cc(C(=O)N(C)C(C)C)c(=O)c2c1 ZINC000161646858 232251177 /nfs/dbraw/zinc/25/11/77/232251177.db2.gz FAHZMWTXCSZWIO-UHFFFAOYSA-N -1 3 272.348 3.038 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2c(C)cccc2F)c1 ZINC000164817877 232260151 /nfs/dbraw/zinc/26/01/51/232260151.db2.gz PGUHZBPBGGLBEI-UHFFFAOYSA-N -1 3 259.280 3.400 20 0 CGADHM Cc1ccc([O-])c(CN2C[C@H](C)[C@@H]2c2ccccc2)n1 ZINC000093867436 345890299 /nfs/dbraw/zinc/89/02/99/345890299.db2.gz AFVRGVDVVITYQE-YVEFUNNKSA-N -1 3 268.360 3.289 20 0 CGADHM Cc1ccc([O-])c(CN2CCCC[C@H]2c2cccn2C)n1 ZINC000093845343 345891020 /nfs/dbraw/zinc/89/10/20/345891020.db2.gz VWQWQHMOUGRNJD-INIZCTEOSA-N -1 3 285.391 3.161 20 0 CGADHM COc1ccnc(C(=O)Nc2cc(Cl)cc(C)c2[O-])c1 ZINC000116978793 345980963 /nfs/dbraw/zinc/98/09/63/345980963.db2.gz WMTVPYDLCPDVSY-UHFFFAOYSA-N -1 3 292.722 3.010 20 0 CGADHM Cc1ccc2c(c1)N(C(=O)c1cc(C)ccc1[O-])CC2 ZINC000122010615 346003569 /nfs/dbraw/zinc/00/35/69/346003569.db2.gz FTIMEURTDTYVQM-UHFFFAOYSA-N -1 3 267.328 3.212 20 0 CGADHM Cc1cccc2c1CCN2C(=O)c1cc(-c2ccco2)[n-]n1 ZINC000126833655 346027484 /nfs/dbraw/zinc/02/74/84/346027484.db2.gz BPDCVAWHPRHLCV-UHFFFAOYSA-N -1 3 293.326 3.181 20 0 CGADHM Cc1cccc2c1CCN2C(=O)c1cc(-c2ccco2)n[n-]1 ZINC000126833655 346027488 /nfs/dbraw/zinc/02/74/88/346027488.db2.gz BPDCVAWHPRHLCV-UHFFFAOYSA-N -1 3 293.326 3.181 20 0 CGADHM CCc1cc(C(=O)NCc2ccc([O-])c(F)c2)sc1C ZINC000133163959 346075430 /nfs/dbraw/zinc/07/54/30/346075430.db2.gz KFPGWIQBVNWOFK-UHFFFAOYSA-N -1 3 293.363 3.394 20 0 CGADHM C[C@H]1CCC[C@H](CC(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000133107012 346075678 /nfs/dbraw/zinc/07/56/78/346075678.db2.gz JLGBPKBNJCOSFX-RYUDHWBXSA-N -1 3 279.355 3.364 20 0 CGADHM COc1ccc(O)c(C(=O)Nc2ccc(Cl)cc2[O-])c1 ZINC000153614108 346145891 /nfs/dbraw/zinc/14/58/91/346145891.db2.gz CMUQAGQUJPMACT-UHFFFAOYSA-N -1 3 293.706 3.012 20 0 CGADHM Cc1ccc(NC(=O)[C@H]2Cc3cc(C)c(C)cc3O2)c([O-])c1 ZINC000175058910 346247149 /nfs/dbraw/zinc/24/71/49/346247149.db2.gz ICETVBSHWHFDGE-QGZVFWFLSA-N -1 3 297.354 3.260 20 0 CGADHM O=C([O-])[C@@H](NCc1ccc(Cl)cc1)c1ccsc1 ZINC000211814910 346286139 /nfs/dbraw/zinc/28/61/39/346286139.db2.gz YQDLNSQFTCGXGB-LBPRGKRZSA-N -1 3 281.764 3.317 20 0 CGADHM CC(C)[C@]1(C(=O)[O-])CCN(Cc2ccc(Cl)cc2F)C1 ZINC000232751071 346326977 /nfs/dbraw/zinc/32/69/77/346326977.db2.gz WLLYAIJAXYNZFQ-HNNXBMFYSA-N -1 3 299.773 3.412 20 0 CGADHM CC(C)n1cc(NC(=O)c2cc([O-])ccc2Cl)cn1 ZINC000232803485 346328208 /nfs/dbraw/zinc/32/82/08/346328208.db2.gz APUOKKCFGMECOF-UHFFFAOYSA-N -1 3 279.727 3.075 20 0 CGADHM CC[C@H](C)N(CC)C(=O)c1cc([O-])ccc1Cl ZINC000233981828 346330720 /nfs/dbraw/zinc/33/07/20/346330720.db2.gz QZVKJZCRRQENKF-VIFPVBQESA-N -1 3 255.745 3.306 20 0 CGADHM C[C@@H]1CCN(Cc2c(F)cccc2Cl)[C@@H](C(=O)[O-])C1 ZINC000229303310 346316933 /nfs/dbraw/zinc/31/69/33/346316933.db2.gz UQMWFEBHXDKVIK-NOZJJQNGSA-N -1 3 285.746 3.164 20 0 CGADHM CC(C)C1CCN(Cc2ccc(C(=O)[O-])cc2F)CC1 ZINC000232541046 346325963 /nfs/dbraw/zinc/32/59/63/346325963.db2.gz LKQNKVOFKOOPSN-UHFFFAOYSA-N -1 3 279.355 3.392 20 0 CGADHM C[C@H]1CN(C(=O)c2cc([O-])ccc2Cl)C[C@H](C)S1 ZINC000235674970 346336924 /nfs/dbraw/zinc/33/69/24/346336924.db2.gz SXLMOWDWRFLGLO-IUCAKERBSA-N -1 3 285.796 3.012 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N2CCC[C@]3(CC=CCC3)C2)n1 ZINC000248705186 346377925 /nfs/dbraw/zinc/37/79/25/346377925.db2.gz ADXCVBUIVHHJRN-WMLDXEAASA-N -1 3 287.407 3.374 20 0 CGADHM COc1cccc(-c2nc(C3(C)CCCC3)no2)c1[O-] ZINC000312950396 346478442 /nfs/dbraw/zinc/47/84/42/346478442.db2.gz RTXXFFQTRJYOSJ-UHFFFAOYSA-N -1 3 274.320 3.283 20 0 CGADHM C[C@H](c1cccc(F)c1)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000405291042 346603501 /nfs/dbraw/zinc/60/35/01/346603501.db2.gz JQDUJSXHLQNWDC-RISCZKNCSA-N -1 3 277.339 3.073 20 0 CGADHM C[C@@H](c1cccc(F)c1)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000405291043 346603601 /nfs/dbraw/zinc/60/36/01/346603601.db2.gz JQDUJSXHLQNWDC-SMDDNHRTSA-N -1 3 277.339 3.073 20 0 CGADHM CC(C)[C@]1(C)C[C@@H]1c1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000584695661 346708212 /nfs/dbraw/zinc/70/82/12/346708212.db2.gz WYPRJUMRWUVYMX-BMIGLBTASA-N -1 3 283.335 3.158 20 0 CGADHM O=C(Nc1ccc2[nH]ccc2c1)c1cc(C(F)(F)F)n[n-]1 ZINC000339249750 215041231 /nfs/dbraw/zinc/04/12/31/215041231.db2.gz ZOMBJMCDYXWPBC-UHFFFAOYSA-N -1 3 294.236 3.162 20 0 CGADHM O=C(Nc1ccc2[nH]ccc2c1)c1cc(C(F)(F)F)[n-]n1 ZINC000339249750 215041234 /nfs/dbraw/zinc/04/12/34/215041234.db2.gz ZOMBJMCDYXWPBC-UHFFFAOYSA-N -1 3 294.236 3.162 20 0 CGADHM CC1CCC(CC(=O)N=c2cc(-c3cccnc3)[n-][nH]2)CC1 ZINC000339279624 215062126 /nfs/dbraw/zinc/06/21/26/215062126.db2.gz FEEWODDWUTTYOF-UHFFFAOYSA-N -1 3 298.390 3.049 20 0 CGADHM CCOC(=O)C1CCC(SCc2ncccc2[O-])CC1 ZINC000594903296 347225812 /nfs/dbraw/zinc/22/58/12/347225812.db2.gz NMTWIMXQJIGOHK-UHFFFAOYSA-N -1 3 295.404 3.142 20 0 CGADHM COc1cccc(NCc2c(F)ccc([O-])c2F)c1 ZINC000351811352 219213854 /nfs/dbraw/zinc/21/38/54/219213854.db2.gz BZOQGFLGLLBYDI-UHFFFAOYSA-N -1 3 265.259 3.291 20 0 CGADHM CC(C)(C)OC(=O)C(C)(C)NCc1cc([O-])ccc1Cl ZINC000599652476 347762496 /nfs/dbraw/zinc/76/24/96/347762496.db2.gz NEKOJKHCOVYKEC-UHFFFAOYSA-N -1 3 299.798 3.256 20 0 CGADHM CC(C)CSCCCN1CCc2occc2[C@@H]1C(=O)[O-] ZINC000600676080 347828272 /nfs/dbraw/zinc/82/82/72/347828272.db2.gz XOXNHWFEQJZHHQ-CQSZACIVSA-N -1 3 297.420 3.043 20 0 CGADHM Cc1noc(C)c1[N-]C(=O)c1cc2cc(F)ccc2o1 ZINC000605088241 348147024 /nfs/dbraw/zinc/14/70/24/348147024.db2.gz DUVNOVSIDWMYDY-UHFFFAOYSA-N -1 3 274.251 3.429 20 0 CGADHM CCc1cc([N-]C(=O)c2csc(-c3ccccc3)n2)no1 ZINC000606891826 348204515 /nfs/dbraw/zinc/20/45/15/348204515.db2.gz RHBPFCTWNOKKEK-UHFFFAOYSA-N -1 3 299.355 3.035 20 0 CGADHM CC(C)[C@H](C)C[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000606909354 348207145 /nfs/dbraw/zinc/20/71/45/348207145.db2.gz WKOMJTSALUGEHR-SECBINFHSA-N -1 3 293.791 3.050 20 0 CGADHM Cc1c(NC(=O)c2cc3cc(Cl)sc3[n-]2)cnn1C ZINC000357899640 233023001 /nfs/dbraw/zinc/02/30/01/233023001.db2.gz GMVCRGAMJACSDI-UHFFFAOYSA-N -1 3 294.767 3.177 20 0 CGADHM COC(=O)c1cccc(NC(=O)c2ccc([O-])c(C)c2)c1C ZINC000611527287 348458503 /nfs/dbraw/zinc/45/85/03/348458503.db2.gz HIFYYUSJLPWLAZ-UHFFFAOYSA-N -1 3 299.326 3.048 20 0 CGADHM O=C(Nc1ccc(Cl)cc1[O-])[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000613025755 348560051 /nfs/dbraw/zinc/56/00/51/348560051.db2.gz CUQDTWJVRUNOPQ-IEBDPFPHSA-N -1 3 265.740 3.420 20 0 CGADHM Cc1csc([C@H](C)C(=O)Nc2c(C)cccc2[O-])n1 ZINC000613208657 348575203 /nfs/dbraw/zinc/57/52/03/348575203.db2.gz WTEVEJNVOHSBSG-SNVBAGLBSA-N -1 3 276.361 3.208 20 0 CGADHM CC1(C)CC(CC(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)C1 ZINC000615133611 348716901 /nfs/dbraw/zinc/71/69/01/348716901.db2.gz JLBZKHOHJVNYHK-UHFFFAOYSA-N -1 3 273.336 3.033 20 0 CGADHM CCCc1ccc(-c2cc(=NC(=O)[C@@H]3C[C@H]3C)[nH][n-]2)cc1 ZINC000615853531 348769313 /nfs/dbraw/zinc/76/93/13/348769313.db2.gz RACJEOUQHLNMLP-BXUZGUMPSA-N -1 3 283.375 3.046 20 0 CGADHM CC1=C(C(=O)NCc2ccc([O-])c3ncccc23)CCC1 ZINC000616025172 348782187 /nfs/dbraw/zinc/78/21/87/348782187.db2.gz LURVREPJJKHPEN-UHFFFAOYSA-N -1 3 282.343 3.057 20 0 CGADHM CC(C)(C)CCC(=O)NCc1ccc([O-])c2ncccc12 ZINC000616024794 348782291 /nfs/dbraw/zinc/78/22/91/348782291.db2.gz GDTFNFLYQGXDGP-UHFFFAOYSA-N -1 3 286.375 3.383 20 0 CGADHM O=C(Nc1ccc([O-])cc1Cl)[C@H]1C[C@@H]1C1CC1 ZINC000616939815 348885078 /nfs/dbraw/zinc/88/50/78/348885078.db2.gz NJRUYUHXDOXZRS-ZJUUUORDSA-N -1 3 251.713 3.030 20 0 CGADHM Cc1n[nH]c(C)c1[C@H](C)C(=O)Nc1ccc([O-])cc1Cl ZINC000616942074 348885727 /nfs/dbraw/zinc/88/57/27/348885727.db2.gz PJIBCMRFQLONHZ-ZETCQYMHSA-N -1 3 293.754 3.128 20 0 CGADHM CC(=O)Nc1ccc(C=Cc2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC000352008381 219286035 /nfs/dbraw/zinc/28/60/35/219286035.db2.gz PENFCESOKNPHPB-WTKPLQERSA-N -1 3 295.342 3.188 20 0 CGADHM CCC(O)(CC)C(C)(C)CNC(=O)c1ccc([O-])c(C)c1 ZINC000617509443 348964448 /nfs/dbraw/zinc/96/44/48/348964448.db2.gz MMXBQDJAKMQHIM-UHFFFAOYSA-N -1 3 293.407 3.008 20 0 CGADHM O=c1cc(C=Cc2ccc(F)cc2)nc(-c2ccncc2)[n-]1 ZINC000352009360 219288234 /nfs/dbraw/zinc/28/82/34/219288234.db2.gz WJFDPYYIFXYXBB-UTCJRWHESA-N -1 3 293.301 3.141 20 0 CGADHM O=[S@](c1cccc([O-])c1)[C@@H]1CCc2ccccc21 ZINC000618631642 349130526 /nfs/dbraw/zinc/13/05/26/349130526.db2.gz URNFOTLDPTXUNX-CRAIPNDOSA-N -1 3 258.342 3.187 20 0 CGADHM CCC1(CC)CCCN(C(=O)c2cc(OC)ccc2[O-])C1 ZINC000618671682 349139546 /nfs/dbraw/zinc/13/95/46/349139546.db2.gz OMVMWVDBMZGFRT-UHFFFAOYSA-N -1 3 291.391 3.443 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2cnc(-c3ccco3)s2)n1 ZINC000352025061 219291953 /nfs/dbraw/zinc/29/19/53/219291953.db2.gz CCDSXBPEUDGDJC-SNAWJCMRSA-N -1 3 285.328 3.378 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2nc3c(s2)C[C@@H](C)CC3)n1 ZINC000352039976 219299444 /nfs/dbraw/zinc/29/94/44/219299444.db2.gz LRVGZRKCYQWNLM-UDIARPCQSA-N -1 3 287.388 3.242 20 0 CGADHM CC(C)Oc1ncccc1[N-]C(=O)c1ocnc1C(F)F ZINC000624234258 350008936 /nfs/dbraw/zinc/00/89/36/350008936.db2.gz FNNONZLYZRHEEJ-UHFFFAOYSA-N -1 3 297.261 3.047 20 0 CGADHM Cc1ccc(-c2nc([C@H](C)c3cnccn3)no2)c([O-])c1C ZINC000624741005 350095112 /nfs/dbraw/zinc/09/51/12/350095112.db2.gz UWSUEDUHFNLFRM-LLVKDONJSA-N -1 3 296.330 3.001 20 0 CGADHM CCOC1CCN(Cc2cc([O-])ccc2Cl)CC1 ZINC000625100529 350128179 /nfs/dbraw/zinc/12/81/79/350128179.db2.gz CPQBHNISNQPOJK-UHFFFAOYSA-N -1 3 269.772 3.047 20 0 CGADHM COc1ccc(CN(C)C(=O)c2c(C)cccc2[O-])cc1C ZINC000625244055 350146269 /nfs/dbraw/zinc/14/62/69/350146269.db2.gz DVZAACRAKPVZHM-UHFFFAOYSA-N -1 3 299.370 3.290 20 0 CGADHM CC[C@@H](NC(=O)c1c(C)cccc1[O-])c1nc(C)cs1 ZINC000625290274 350153428 /nfs/dbraw/zinc/15/34/28/350153428.db2.gz GZDYZZOHZVWOBG-LLVKDONJSA-N -1 3 290.388 3.347 20 0 CGADHM C[C@@H]1CCN(Cc2cc([O-])ccc2Cl)C[C@H]1F ZINC000625313458 350157375 /nfs/dbraw/zinc/15/73/75/350157375.db2.gz JZEFOWJZZDUKOY-NOZJJQNGSA-N -1 3 257.736 3.226 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CCc2ccccc2[C@@H]1C ZINC000625341595 350161728 /nfs/dbraw/zinc/16/17/28/350161728.db2.gz ZOUBPYLBSXWLAG-ZDUSSCGKSA-N -1 3 281.355 3.460 20 0 CGADHM [O-]c1ccc(Cl)c(CN2CCOC[C@H](C3CCC3)C2)c1 ZINC000625445948 350172828 /nfs/dbraw/zinc/17/28/28/350172828.db2.gz JMVUYJZKHFTLLL-CQSZACIVSA-N -1 3 295.810 3.294 20 0 CGADHM C[C@@H]1CN(Cc2cc([O-])ccc2Cl)C2(CCC2)CO1 ZINC000625514532 350180453 /nfs/dbraw/zinc/18/04/53/350180453.db2.gz SHADSNNDRWXNEB-LLVKDONJSA-N -1 3 281.783 3.189 20 0 CGADHM C[C@H]1CN(Cc2ccc(C(=O)[O-])cc2)C[C@H](C)C1(F)F ZINC000625971085 350237951 /nfs/dbraw/zinc/23/79/51/350237951.db2.gz KIYSHNMVUWSOLF-QWRGUYRKSA-N -1 3 283.318 3.108 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1C[C@H](C)C[C@H](C)[C@H]1C ZINC000626631207 350325604 /nfs/dbraw/zinc/32/56/04/350325604.db2.gz UVCIYFSBGOLSTQ-KGYLQXTDSA-N -1 3 261.365 3.207 20 0 CGADHM CCO[C@@H](C(=O)Nc1cc(Cl)cc(C)c1[O-])C1CC1 ZINC000626281421 350291572 /nfs/dbraw/zinc/29/15/72/350291572.db2.gz ZBMYIAGAZKQKSP-CYBMUJFWSA-N -1 3 283.755 3.108 20 0 CGADHM CC1(C)CCC(C)(C)N(C(=O)c2ccc(O)cc2[O-])C1 ZINC000628533087 350567644 /nfs/dbraw/zinc/56/76/44/350567644.db2.gz NRLPBBMHABXHMY-UHFFFAOYSA-N -1 3 277.364 3.139 20 0 CGADHM Cc1cccc([O-])c1C(=O)N[C@H](c1ccccn1)C1CCC1 ZINC000628666209 350586620 /nfs/dbraw/zinc/58/66/20/350586620.db2.gz MNFXWTZQWWSJAM-KRWDZBQOSA-N -1 3 296.370 3.367 20 0 CGADHM Cc1ccc(C(C)(C)CNC(=O)c2cccc(C)c2[O-])nc1 ZINC000628721189 350597875 /nfs/dbraw/zinc/59/78/75/350597875.db2.gz WJCGYPAWMIMFCJ-UHFFFAOYSA-N -1 3 298.386 3.112 20 0 CGADHM CCc1ccc(C(=O)N2CCCC3(CC3)CC2)c([O-])c1 ZINC000629643789 350727772 /nfs/dbraw/zinc/72/77/72/350727772.db2.gz JVDKEDBITVSQEF-UHFFFAOYSA-N -1 3 273.376 3.361 20 0 CGADHM Cc1ccc(C(=O)N2CCCC3(CC3)CC2)c([O-])c1C ZINC000629644744 350728440 /nfs/dbraw/zinc/72/84/40/350728440.db2.gz KZJIKCDSLMIURX-UHFFFAOYSA-N -1 3 273.376 3.415 20 0 CGADHM Cc1conc1C(=O)Nc1cc(C(C)(C)C)ccc1[O-] ZINC000632027553 351159473 /nfs/dbraw/zinc/15/94/73/351159473.db2.gz GPPRVSVUWQPFEG-UHFFFAOYSA-N -1 3 274.320 3.238 20 0 CGADHM Cc1c([N-]C(=O)[C@H]2CCCO2)onc1C1CCCCC1 ZINC000291413561 198015086 /nfs/dbraw/zinc/01/50/86/198015086.db2.gz GWCMSSBUNFUWSQ-GFCCVEGCSA-N -1 3 278.352 3.148 20 0 CGADHM CO[C@@H](COc1cc2occ([O-])c2c(C)c1)c1ccccc1 ZINC000634560922 351514678 /nfs/dbraw/zinc/51/46/78/351514678.db2.gz CRIRUIZTLAEERI-KRWDZBQOSA-N -1 3 298.338 3.337 20 0 CGADHM CC(C)c1nccn1CC(=O)Nc1ccc(Cl)cc1[O-] ZINC000635738869 351687353 /nfs/dbraw/zinc/68/73/53/351687353.db2.gz FZSLOBSMILDVRZ-UHFFFAOYSA-N -1 3 293.754 3.004 20 0 CGADHM CCc1[n-][nH]c(=NC(=O)c2ccc(C)c(C)c2Cl)c1C ZINC000336498980 213373068 /nfs/dbraw/zinc/37/30/68/213373068.db2.gz UPIPISMRHSMOQR-UHFFFAOYSA-N -1 3 291.782 3.225 20 0 CGADHM CC[C@@H](C)CON=C([O-])Nc1nc(C2CC2)cs1 ZINC000291664207 198055069 /nfs/dbraw/zinc/05/50/69/198055069.db2.gz AQBXYUNWDZITIY-MRVPVSSYSA-N -1 3 269.370 3.120 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)Nc1nc(C2CC2)cs1 ZINC000291664207 198055070 /nfs/dbraw/zinc/05/50/70/198055070.db2.gz AQBXYUNWDZITIY-MRVPVSSYSA-N -1 3 269.370 3.120 20 0 CGADHM O=C([O-])CCCN1CCC[C@@H]1c1nc2ccccc2s1 ZINC000121914605 187004836 /nfs/dbraw/zinc/00/48/36/187004836.db2.gz MQZRBVBOGNMLNT-GFCCVEGCSA-N -1 3 290.388 3.298 20 0 CGADHM C[C@H](CC(=O)[N-]OC/C=C/Cl)c1ccc(F)cc1 ZINC000291757432 198082007 /nfs/dbraw/zinc/08/20/07/198082007.db2.gz HNNNPASLXVGASK-CYZOPGGISA-N -1 3 271.719 3.120 20 0 CGADHM C[C@H](CC(=O)[N-]OC/C=C/Cl)c1ccc(F)cc1F ZINC000291977534 198123290 /nfs/dbraw/zinc/12/32/90/198123290.db2.gz YVOLKBXOPKITGL-OSOUNJMWSA-N -1 3 289.709 3.259 20 0 CGADHM C[C@@H]1C(=O)CC[C@@H](C(=O)Nc2ccc([O-])cc2F)C1(C)C ZINC000336477594 213348502 /nfs/dbraw/zinc/34/85/02/213348502.db2.gz BEIMXJRSEHBVSY-KOLCDFICSA-N -1 3 293.338 3.111 20 0 CGADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1ccc2ccccc2c1 ZINC000153213361 188071751 /nfs/dbraw/zinc/07/17/51/188071751.db2.gz PXJPYKZPBAPOFI-OAHLLOKOSA-N -1 3 286.331 3.420 20 0 CGADHM O=C([N-]O[C@@H]1CCCCO1)Nc1ccc2ccccc2c1 ZINC000153213361 188071753 /nfs/dbraw/zinc/07/17/53/188071753.db2.gz PXJPYKZPBAPOFI-OAHLLOKOSA-N -1 3 286.331 3.420 20 0 CGADHM CC(C)c1ccccc1NC([O-])=NO[C@@H]1CCCCO1 ZINC000155454867 188207769 /nfs/dbraw/zinc/20/77/69/188207769.db2.gz DFWYRWUYRBGAQT-CQSZACIVSA-N -1 3 278.352 3.390 20 0 CGADHM CC(C)c1ccccc1NC(=O)[N-]O[C@@H]1CCCCO1 ZINC000155454867 188207770 /nfs/dbraw/zinc/20/77/70/188207770.db2.gz DFWYRWUYRBGAQT-CQSZACIVSA-N -1 3 278.352 3.390 20 0 CGADHM COC(=O)c1ccc(C(=O)Nc2ccccc2C(C)C)[n-]1 ZINC000292514283 198316231 /nfs/dbraw/zinc/31/62/31/198316231.db2.gz UHRKEFLPHRXSSX-UHFFFAOYSA-N -1 3 286.331 3.177 20 0 CGADHM O=C([N-]OC1CCCC1)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000271851519 191368318 /nfs/dbraw/zinc/36/83/18/191368318.db2.gz ZYRFQAICCVKRTF-NWDGAFQWSA-N -1 3 281.302 3.059 20 0 CGADHM C[C@H]1CC(C)(C)CN1C(=O)Cc1ccc([O-])cc1Cl ZINC000412786250 235214599 /nfs/dbraw/zinc/21/45/99/235214599.db2.gz VIXBFFJGAKAGTM-JTQLQIEISA-N -1 3 281.783 3.235 20 0 CGADHM COc1cccc([C@H]2CCCN2Cc2nc(C)ccc2[O-])c1 ZINC000124221831 138374086 /nfs/dbraw/zinc/37/40/86/138374086.db2.gz FYVMKOSNKMUCTB-QGZVFWFLSA-N -1 3 298.386 3.441 20 0 CGADHM O=C(Nc1ccc([O-])cc1F)c1cc(=O)[nH]c2ccccc21 ZINC000126109375 138384881 /nfs/dbraw/zinc/38/48/81/138384881.db2.gz MSUPXAOKISWWER-UHFFFAOYSA-N -1 3 298.273 3.037 20 0 CGADHM O=C(c1ccccc1[O-])N1CCC[C@@H]1Cc1cccc(F)c1 ZINC000128226952 138392330 /nfs/dbraw/zinc/39/23/30/138392330.db2.gz PAUUSQVENZZVQQ-OAHLLOKOSA-N -1 3 299.345 3.379 20 0 CGADHM C[C@H]1C[C@H](C)N(C(=O)c2ccc3c(c2[O-])CCCC3)C1 ZINC000436969396 291118299 /nfs/dbraw/zinc/11/82/99/291118299.db2.gz IJRXJTBFTLAOMO-RYUDHWBXSA-N -1 3 273.376 3.142 20 0 CGADHM COc1cc(Cl)ccc1CN1CCC[C@@H](C)[C@@H]1C(=O)[O-] ZINC000424271662 236139049 /nfs/dbraw/zinc/13/90/49/236139049.db2.gz PGHYUAJEVDUYMN-QMTHXVAHSA-N -1 3 297.782 3.034 20 0 CGADHM C[C@@H](CO)N(Cc1cccc([O-])c1Cl)CC1CCC1 ZINC000294579653 199094967 /nfs/dbraw/zinc/09/49/67/199094967.db2.gz GVVMEPKNWOGNDL-NSHDSACASA-N -1 3 283.799 3.029 20 0 CGADHM CCc1cc(C(=O)N2CCC[C@H](CSC)C2)ccc1[O-] ZINC000294594211 199099980 /nfs/dbraw/zinc/09/99/80/199099980.db2.gz IQTMOHVOIDIMJN-LBPRGKRZSA-N -1 3 293.432 3.170 20 0 CGADHM CN(C(=O)CCc1ccc2ccccc2c1[O-])C1CCC1 ZINC000294822357 199200003 /nfs/dbraw/zinc/20/00/03/199200003.db2.gz DLKDIDSJZFLIQS-UHFFFAOYSA-N -1 3 283.371 3.489 20 0 CGADHM Cc1cccc(OCCNC(=O)c2ccc(C)c(C)c2[O-])c1 ZINC000436634822 237148867 /nfs/dbraw/zinc/14/88/67/237148867.db2.gz LYBRZMRSEZTMAL-UHFFFAOYSA-N -1 3 299.370 3.126 20 0 CGADHM Cc1ccc(C(=O)NCc2ccc(F)c(F)c2)c([O-])c1C ZINC000436558522 237128581 /nfs/dbraw/zinc/12/85/81/237128581.db2.gz YFPOTDJJPXTCNG-UHFFFAOYSA-N -1 3 291.297 3.217 20 0 CGADHM Cc1cccnc1CNC(=O)c1ccc(C(C)C)cc1[O-] ZINC000436571965 237130910 /nfs/dbraw/zinc/13/09/10/237130910.db2.gz YADCPMMVGSHBJW-UHFFFAOYSA-N -1 3 284.359 3.149 20 0 CGADHM Cc1ccc(C(=O)NCc2cccc3cc[nH]c32)c([O-])c1 ZINC000436835588 237190828 /nfs/dbraw/zinc/19/08/28/237190828.db2.gz ADJHASUENWVTTA-UHFFFAOYSA-N -1 3 280.327 3.112 20 0 CGADHM COc1ccc([C@@H](C)CCNC(=O)c2ccccc2[O-])cc1 ZINC000436720088 237165624 /nfs/dbraw/zinc/16/56/24/237165624.db2.gz RNNDBFNRGUQIPD-ZDUSSCGKSA-N -1 3 299.370 3.324 20 0 CGADHM Cc1ccc(C(=O)N2CC[C@@H](C)C3(CCC3)C2)c([O-])c1 ZINC000436713886 237166195 /nfs/dbraw/zinc/16/61/95/237166195.db2.gz DIPJCCVVXSLRIY-CYBMUJFWSA-N -1 3 273.376 3.353 20 0 CGADHM CN(C(=O)c1cc2c(cc1[O-])CCCC2)C1CCCC1 ZINC000436758347 237175363 /nfs/dbraw/zinc/17/53/63/237175363.db2.gz YUGVAKGNXLNNAS-UHFFFAOYSA-N -1 3 273.376 3.286 20 0 CGADHM C[C@H](NC(=O)c1ccccc1[O-])c1c(F)cccc1F ZINC000436761559 237178994 /nfs/dbraw/zinc/17/89/94/237178994.db2.gz LEZVEVVOTRMFML-VIFPVBQESA-N -1 3 277.270 3.161 20 0 CGADHM Cc1cccc(OCc2nc(-c3ccc([O-])cc3)no2)c1 ZINC000436768286 237179958 /nfs/dbraw/zinc/17/99/58/237179958.db2.gz JCNIHYPAIGAPIZ-UHFFFAOYSA-N -1 3 282.299 3.330 20 0 CGADHM COC1CCC(CCNC(=O)c2ccc([O-])c(C)c2)CC1 ZINC000436989614 237224148 /nfs/dbraw/zinc/22/41/48/237224148.db2.gz OGCMIBMKYNZPJB-UHFFFAOYSA-N -1 3 291.391 3.026 20 0 CGADHM Cc1ccc([O-])c(-c2nc(-c3ccc4c(c3)OCO4)no2)c1 ZINC000436886982 237205107 /nfs/dbraw/zinc/20/51/07/237205107.db2.gz NGBHBFRPNNJRJE-UHFFFAOYSA-N -1 3 296.282 3.146 20 0 CGADHM COCCCCc1noc(-c2ccc(C)c(C)c2[O-])n1 ZINC000436922260 237213718 /nfs/dbraw/zinc/21/37/18/237213718.db2.gz ZQIGNCIYPLMVFY-UHFFFAOYSA-N -1 3 276.336 3.028 20 0 CGADHM CSc1ccc(C)c(NC([O-])=NOC(C)C)c1 ZINC000296928912 200037665 /nfs/dbraw/zinc/03/76/65/200037665.db2.gz OUPBWRNONVLYIC-UHFFFAOYSA-N -1 3 254.355 3.178 20 0 CGADHM CSc1ccc(C)c(NC(=O)[N-]OC(C)C)c1 ZINC000296928912 200037667 /nfs/dbraw/zinc/03/76/67/200037667.db2.gz OUPBWRNONVLYIC-UHFFFAOYSA-N -1 3 254.355 3.178 20 0 CGADHM Cc1cccc2c1N(C(=O)c1ccc([O-])c(C)c1)CC2 ZINC000436939566 237216556 /nfs/dbraw/zinc/21/65/56/237216556.db2.gz OUFRUQNSASEWJZ-UHFFFAOYSA-N -1 3 267.328 3.212 20 0 CGADHM Cc1ccc(C(=O)Nc2cc3c[nH]nc3cc2C)c([O-])c1 ZINC000437004530 237230740 /nfs/dbraw/zinc/23/07/40/237230740.db2.gz RDYJIFIPHYMASH-UHFFFAOYSA-N -1 3 281.315 3.138 20 0 CGADHM CCC1(NC(=O)NCc2ccc([O-])c(F)c2)CCCC1 ZINC000297175380 200105395 /nfs/dbraw/zinc/10/53/95/200105395.db2.gz JKFFJQQOUFQOOE-UHFFFAOYSA-N -1 3 280.343 3.053 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)Nc1ccc(-c2ncco2)cc1 ZINC000297661177 200255815 /nfs/dbraw/zinc/25/58/15/200255815.db2.gz FHBYMDFJAWRNAD-NSHDSACASA-N -1 3 289.335 3.441 20 0 CGADHM CC(C)(C[N-]C(=O)C(F)(F)C(F)F)c1cccs1 ZINC000176702899 189005050 /nfs/dbraw/zinc/00/50/50/189005050.db2.gz GQIWCBRFQLJRDI-UHFFFAOYSA-N -1 3 283.290 3.042 20 0 CGADHM Cc1ccc(C(=O)Nc2ncccc2[O-])c(Cl)c1C ZINC000341903738 216147096 /nfs/dbraw/zinc/14/70/96/216147096.db2.gz SETKLGCLWUYRHE-UHFFFAOYSA-N -1 3 276.723 3.310 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N2CCC[C@@H]2c2cccs2)n1 ZINC000177914096 189079047 /nfs/dbraw/zinc/07/90/47/189079047.db2.gz CAJYIYDWZKOKOO-NWDGAFQWSA-N -1 3 289.404 3.450 20 0 CGADHM Cc1ccc(C(=O)N[C@@H]2C[C@@H]2Cc2ccccc2)c([O-])c1C ZINC000439955133 238289691 /nfs/dbraw/zinc/28/96/91/238289691.db2.gz BBMOQWPOGMNFKI-DOTOQJQBSA-N -1 3 295.382 3.370 20 0 CGADHM O=C(NCc1ccc([O-])c(F)c1)N[C@H]1CC12CCCCC2 ZINC000180540634 189261556 /nfs/dbraw/zinc/26/15/56/189261556.db2.gz RGLXMPLIGMTYID-AWEZNQCLSA-N -1 3 292.354 3.053 20 0 CGADHM C[C@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cccc([O-])c1 ZINC000182460749 189324420 /nfs/dbraw/zinc/32/44/20/189324420.db2.gz XMAXWOCZIQSHKE-ZOWXZIJZSA-N -1 3 259.349 3.185 20 0 CGADHM C[C@H](CNC(=O)c1cccc([O-])c1)Cc1cccs1 ZINC000182506161 189326058 /nfs/dbraw/zinc/32/60/58/189326058.db2.gz CXLVHKBHFLHQGI-NSHDSACASA-N -1 3 275.373 3.062 20 0 CGADHM Cc1c(C(=O)Nc2c(C)cccc2[O-])oc2c1C(=O)CCC2 ZINC000183075668 189345601 /nfs/dbraw/zinc/34/56/01/189345601.db2.gz PBXBRPJPVHLGBB-UHFFFAOYSA-N -1 3 299.326 3.373 20 0 CGADHM C[C@@H](NC(=O)c1ccc2c(c1[O-])CCCC2)c1cccnc1 ZINC000184913144 189399009 /nfs/dbraw/zinc/39/90/09/189399009.db2.gz HQRQJPAQVALBOZ-GFCCVEGCSA-N -1 3 296.370 3.157 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2sccc2Cl)n1 ZINC000336374796 213227675 /nfs/dbraw/zinc/22/76/75/213227675.db2.gz JMLJWILTFSDIQE-UHFFFAOYSA-N -1 3 268.725 3.063 20 0 CGADHM O=C(CCc1ccc2ccccc2c1[O-])N[C@@H]1C[C@H]1C1CC1 ZINC000451386000 240288705 /nfs/dbraw/zinc/28/87/05/240288705.db2.gz VCODATFSXCDWSK-DLBZAZTESA-N -1 3 295.382 3.393 20 0 CGADHM [O-]c1cccc(/C=C/c2nc(CCC3CC3)no2)c1 ZINC000275455998 193044264 /nfs/dbraw/zinc/04/42/64/193044264.db2.gz JJMABMDUGHDZTJ-VQHVLOKHSA-N -1 3 256.305 3.288 20 0 CGADHM Cc1ccncc1CNC(=O)c1ccc(C(C)C)cc1[O-] ZINC000456199423 241377209 /nfs/dbraw/zinc/37/72/09/241377209.db2.gz VEOOKEDHZRYLAS-UHFFFAOYSA-N -1 3 284.359 3.149 20 0 CGADHM CC[C@H](C)c1cc(C(=O)[N-]c2ncc(C(C)=O)s2)on1 ZINC000121392085 370857272 /nfs/dbraw/zinc/85/72/72/370857272.db2.gz HLWMTTSTRSOHFF-ZETCQYMHSA-N -1 3 293.348 3.100 20 0 CGADHM O=c1cc(CN2CCCC23CCC3)nc(-c2ccccc2)[n-]1 ZINC000459436335 242107225 /nfs/dbraw/zinc/10/72/25/242107225.db2.gz XIMRZEZSVTUSDX-UHFFFAOYSA-N -1 3 295.386 3.368 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)[C@@H]2[C@H](C)C2(F)F)c1[O-] ZINC000461456027 242306019 /nfs/dbraw/zinc/30/60/19/242306019.db2.gz NAFBZVHMANAOME-RCOVLWMOSA-N -1 3 275.682 3.194 20 0 CGADHM CCc1cccc(C(=O)N(C)CCOc2ccccc2)c1[O-] ZINC000537650610 376192295 /nfs/dbraw/zinc/19/22/95/376192295.db2.gz IVEWSFRUZZDCBJ-UHFFFAOYSA-N -1 3 299.370 3.106 20 0 CGADHM Cc1cc(C)cc(-c2cc(=NC(=O)[C@H]3[C@@H]4CCC[C@@H]43)[nH][n-]2)c1 ZINC000480727221 243163934 /nfs/dbraw/zinc/16/39/34/243163934.db2.gz JTGLMTRAKZUQRS-HALDLXJZSA-N -1 3 295.386 3.100 20 0 CGADHM Cc1cccc2[nH]c(=NCc3ccc([O-])c(F)c3)sc21 ZINC000480016584 243133797 /nfs/dbraw/zinc/13/37/97/243133797.db2.gz NCIKSAHEKPRVLZ-UHFFFAOYSA-N -1 3 288.347 3.483 20 0 CGADHM Cc1cccc2nc(NCc3ccc([O-])c(F)c3)sc21 ZINC000480016584 243133802 /nfs/dbraw/zinc/13/38/02/243133802.db2.gz NCIKSAHEKPRVLZ-UHFFFAOYSA-N -1 3 288.347 3.483 20 0 CGADHM Cc1ccc([O-])c(C(=O)N[C@H](c2ccccc2)C(F)F)c1 ZINC000482007610 243211481 /nfs/dbraw/zinc/21/14/81/243211481.db2.gz HMDNWIIBRUUFPO-CQSZACIVSA-N -1 3 291.297 3.437 20 0 CGADHM CCc1cc(C(=O)N[C@@H]2CC3CCC2CC3)ccc1[O-] ZINC000483471475 243284123 /nfs/dbraw/zinc/28/41/23/243284123.db2.gz FFBVFKRYDQYCFQ-ABIUDSBCSA-N -1 3 273.376 3.263 20 0 CGADHM CCCOc1cccc(C=Cc2nc(C)cc(=O)[n-]2)c1 ZINC000486145790 243354074 /nfs/dbraw/zinc/35/40/74/243354074.db2.gz IYVHNRUZPMRAOL-BQYQJAHWSA-N -1 3 270.332 3.450 20 0 CGADHM Cc1cccc([O-])c1NC(=O)c1cccc2ccc(=O)[nH]c21 ZINC000486951526 243384518 /nfs/dbraw/zinc/38/45/18/243384518.db2.gz RSTMQLYDDYILKA-UHFFFAOYSA-N -1 3 294.310 3.207 20 0 CGADHM Cc1cc([N-]C(=O)[C@H](C)Nc2cc(C)cc(C)c2)on1 ZINC000011155088 368588715 /nfs/dbraw/zinc/58/87/15/368588715.db2.gz SVVULNZLKMURCG-LBPRGKRZSA-N -1 3 273.336 3.039 20 0 CGADHM CC[C@@H](CNC(=O)c1ccc([O-])c(OC)c1)c1ccccc1 ZINC000276016118 193188891 /nfs/dbraw/zinc/18/88/91/193188891.db2.gz JURYUUNTPHTOIN-ZDUSSCGKSA-N -1 3 299.370 3.324 20 0 CGADHM CCCC[C@H](CC)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000020495822 368808842 /nfs/dbraw/zinc/80/88/42/368808842.db2.gz YDYUTMKRFOIJNE-NSHDSACASA-N -1 3 287.367 3.022 20 0 CGADHM CCCC[C@H](CC)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000020495822 368808846 /nfs/dbraw/zinc/80/88/46/368808846.db2.gz YDYUTMKRFOIJNE-NSHDSACASA-N -1 3 287.367 3.022 20 0 CGADHM CCCCC[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000023861769 368825063 /nfs/dbraw/zinc/82/50/63/368825063.db2.gz RVLOAMHZGXCLEO-UHFFFAOYSA-N -1 3 296.219 3.462 20 0 CGADHM CCc1cccc(C(=O)Nc2ccc(C)nc2C)c1[O-] ZINC000537679942 376193754 /nfs/dbraw/zinc/19/37/54/376193754.db2.gz XYGJDHFSENGYIJ-UHFFFAOYSA-N -1 3 270.332 3.219 20 0 CGADHM Cc1ccc([O-])c(C(=O)NCc2ccc(Cl)s2)c1 ZINC000025520372 368847979 /nfs/dbraw/zinc/84/79/79/368847979.db2.gz ZZQLYTAYASWKKI-UHFFFAOYSA-N -1 3 281.764 3.346 20 0 CGADHM Cc1cccc(C(=O)N[C@H](C)c2cccs2)c1[O-] ZINC000035127649 368999390 /nfs/dbraw/zinc/99/93/90/368999390.db2.gz RQRZPFYLSJLPTG-SNVBAGLBSA-N -1 3 261.346 3.253 20 0 CGADHM CCC[C@H](NCc1c(Cl)cccc1Cl)C(=O)[O-] ZINC000036839648 369031980 /nfs/dbraw/zinc/03/19/80/369031980.db2.gz FASAJSQBXBWBKB-NSHDSACASA-N -1 3 276.163 3.336 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)c2cccc(C)c2C)o1 ZINC000330666515 203094888 /nfs/dbraw/zinc/09/48/88/203094888.db2.gz XRDNTQNJFWSDAG-ZDUSSCGKSA-N -1 3 293.388 3.244 20 0 CGADHM O=C(/C=C\c1ccnc(Cl)c1)[N-]OC1CCCCC1 ZINC000492754374 244018423 /nfs/dbraw/zinc/01/84/23/244018423.db2.gz VHJUTVUGYRGLEP-SREVYHEPSA-N -1 3 280.755 3.129 20 0 CGADHM C[C@H](O[N-]C(=O)/C=C/c1cccc(CO)c1)c1ccccc1 ZINC000493024187 244079287 /nfs/dbraw/zinc/07/92/87/244079287.db2.gz XYAAIYMXCUIGJM-VNDWYCCKSA-N -1 3 297.354 3.001 20 0 CGADHM O=C(/C=C/c1ccccc1Br)[N-]OC1CCC1 ZINC000493707460 244216225 /nfs/dbraw/zinc/21/62/25/244216225.db2.gz OLGGDCXZNOFBCU-CMDGGOBGSA-N -1 3 296.164 3.063 20 0 CGADHM Cc1cccc([C@@H](NCc2ccccc2)C(=O)[O-])c1C ZINC000043315465 369248725 /nfs/dbraw/zinc/24/87/25/369248725.db2.gz ZIIQAMXRCANBDT-MRXNPFEDSA-N -1 3 269.344 3.219 20 0 CGADHM Cc1cc([N-]C(=O)c2sccc2Br)no1 ZINC000045007675 369271796 /nfs/dbraw/zinc/27/17/96/369271796.db2.gz HMGFRCHARFUHQK-UHFFFAOYSA-N -1 3 287.138 3.059 20 0 CGADHM Cc1cccc(C(=O)NCc2cccc(Cl)c2)c1[O-] ZINC000051448971 369448120 /nfs/dbraw/zinc/44/81/20/369448120.db2.gz APIFQWBDIGOKQI-UHFFFAOYSA-N -1 3 275.735 3.284 20 0 CGADHM CC[C@@H](NCc1nc(=O)c2sccc2[n-]1)c1ccccc1 ZINC000051628082 369449871 /nfs/dbraw/zinc/44/98/71/369449871.db2.gz XEMGATAVFSIEMV-GFCCVEGCSA-N -1 3 299.399 3.226 20 0 CGADHM CCc1ccc(C(=O)N(CC(F)F)C(C)C)c([O-])c1 ZINC000276344278 193294038 /nfs/dbraw/zinc/29/40/38/193294038.db2.gz IZVWQORACHYPST-UHFFFAOYSA-N -1 3 271.307 3.070 20 0 CGADHM COc1ccc(C(=O)N2CCC3(CCCC3)CC2)c([O-])c1 ZINC000062959695 369633422 /nfs/dbraw/zinc/63/34/22/369633422.db2.gz UGUGJDRQIVIGQV-UHFFFAOYSA-N -1 3 289.375 3.197 20 0 CGADHM CCS[C@@H](C(=O)Nc1ccccc1[O-])C(C)C ZINC000067105982 369711891 /nfs/dbraw/zinc/71/18/91/369711891.db2.gz RGPZTRAZLGYYAI-GFCCVEGCSA-N -1 3 253.367 3.108 20 0 CGADHM Cc1nc(-c2c[nH]c(C(=O)Nc3ccccc3[O-])c2)cs1 ZINC000073138847 369850811 /nfs/dbraw/zinc/85/08/11/369850811.db2.gz AAEHSARWCDDQEP-UHFFFAOYSA-N -1 3 299.355 3.405 20 0 CGADHM Cc1ccc(C(=O)N(C)CCOc2ccccc2)c([O-])c1C ZINC000079726196 369975710 /nfs/dbraw/zinc/97/57/10/369975710.db2.gz RZNZDDFOTHUQAJ-UHFFFAOYSA-N -1 3 299.370 3.160 20 0 CGADHM Cc1ncc(CO[N-]C(=O)CCCc2ccccc2)s1 ZINC000112335285 370420601 /nfs/dbraw/zinc/42/06/01/370420601.db2.gz RESSEYBDQBXTMG-UHFFFAOYSA-N -1 3 290.388 3.022 20 0 CGADHM C[C@H]1CCCC[C@H]1CC[N-]S(=O)(=O)c1cccs1 ZINC000512141840 245021251 /nfs/dbraw/zinc/02/12/51/245021251.db2.gz CPDCFPYIPYYCOR-RYUDHWBXSA-N -1 3 287.450 3.243 20 0 CGADHM Cc1ccc(NC(=O)CO[C@@H]2CCCC[C@H]2C)c([O-])c1 ZINC000113413909 370473002 /nfs/dbraw/zinc/47/30/02/370473002.db2.gz MZCARBQJSCGQQQ-IUODEOHRSA-N -1 3 277.364 3.234 20 0 CGADHM O=C(Nc1ccccc1[O-])[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC000113414271 370473213 /nfs/dbraw/zinc/47/32/13/370473213.db2.gz CWQJNXKXCHBGIB-NWDGAFQWSA-N -1 3 289.281 3.413 20 0 CGADHM C[C@H](CC1CCCC1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000114259135 370495857 /nfs/dbraw/zinc/49/58/57/370495857.db2.gz JYIUREWORXBZGS-LLVKDONJSA-N -1 3 299.378 3.022 20 0 CGADHM C[C@H](CC1CCCC1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000114259135 370495862 /nfs/dbraw/zinc/49/58/62/370495862.db2.gz JYIUREWORXBZGS-LLVKDONJSA-N -1 3 299.378 3.022 20 0 CGADHM CC1=C[C@@H](C)CN(Cc2cccc([O-])c2Cl)C1 ZINC000513421337 245078566 /nfs/dbraw/zinc/07/85/66/245078566.db2.gz VQGBINKJMFCLEI-SNVBAGLBSA-N -1 3 251.757 3.444 20 0 CGADHM Cc1ccccc1[C@H](C)CC(=O)Nc1ncccc1[O-] ZINC000116440980 370561170 /nfs/dbraw/zinc/56/11/70/370561170.db2.gz PEWMUCKJXSXJCW-GFCCVEGCSA-N -1 3 270.332 3.228 20 0 CGADHM Cn1cc(C(=O)Nc2ccccc2[O-])c(-c2cccs2)n1 ZINC000132660343 371192830 /nfs/dbraw/zinc/19/28/30/371192830.db2.gz AOMFMXLUPGZYJE-UHFFFAOYSA-N -1 3 299.355 3.107 20 0 CGADHM CCCCS[C@@H](C)C(=O)NCc1ccc([O-])c(F)c1 ZINC000132904367 371211374 /nfs/dbraw/zinc/21/13/74/371211374.db2.gz UJVPOAPOHKTNPN-JTQLQIEISA-N -1 3 285.384 3.069 20 0 CGADHM CC1(C)CCC[C@H](NC(=O)c2c[n-]c3ccccc3c2=O)C1 ZINC000135233889 371404702 /nfs/dbraw/zinc/40/47/02/371404702.db2.gz JSRKTSVDDKJUBV-LBPRGKRZSA-N -1 3 298.386 3.227 20 0 CGADHM O=C(Cc1ccc([O-])cc1Cl)NCc1ccc(F)cc1 ZINC000136055485 371458477 /nfs/dbraw/zinc/45/84/77/371458477.db2.gz BEJUYUFMMTZDAU-UHFFFAOYSA-N -1 3 293.725 3.044 20 0 CGADHM CCc1ncsc1C(=O)[N-]c1nnc(C(C)(C)C)s1 ZINC000137840608 371500715 /nfs/dbraw/zinc/50/07/15/371500715.db2.gz KZALCFWSHCVUSX-UHFFFAOYSA-N -1 3 296.421 3.107 20 0 CGADHM CC[C@@](C)(NC(=O)c1ccccc1[O-])c1nc(C)cs1 ZINC000151211399 371581514 /nfs/dbraw/zinc/58/15/14/371581514.db2.gz WICNZFHEOVYHDN-OAHLLOKOSA-N -1 3 290.388 3.212 20 0 CGADHM Cc1ccc([O-])c(C(=O)N(C)C2CC(OC(C)(C)C)C2)c1 ZINC000421692135 371605969 /nfs/dbraw/zinc/60/59/69/371605969.db2.gz FXWPJGDUNWQQOX-UHFFFAOYSA-N -1 3 291.391 3.119 20 0 CGADHM O=C(Nc1cc(Br)ccc1[O-])[C@]12C[C@H]1CCC2 ZINC000421791674 371634090 /nfs/dbraw/zinc/63/40/90/371634090.db2.gz JZCGTIWVHZIAKI-AMIZOPFISA-N -1 3 296.164 3.283 20 0 CGADHM C[C@@]1(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)CC1(F)F ZINC000421793597 371634303 /nfs/dbraw/zinc/63/43/03/371634303.db2.gz XAHRUHWNCGQDDU-JTQLQIEISA-N -1 3 295.207 3.395 20 0 CGADHM COc1cccc(Cl)c1CC(=O)Nc1ccccc1[O-] ZINC000153016719 371743139 /nfs/dbraw/zinc/74/31/39/371743139.db2.gz YLZVIUZBLVWNAG-UHFFFAOYSA-N -1 3 291.734 3.235 20 0 CGADHM COc1ccccc1[C@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC000153108842 371750531 /nfs/dbraw/zinc/75/05/31/371750531.db2.gz IKEFOBMROYSRMF-ZDUSSCGKSA-N -1 3 297.354 3.031 20 0 CGADHM COc1ccccc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000153469327 371770629 /nfs/dbraw/zinc/77/06/29/371770629.db2.gz PPEUVMPOPQTDDH-UHFFFAOYSA-N -1 3 277.707 3.307 20 0 CGADHM [O-]c1cc(F)cc(CNc2cc(C3CC3)ccn2)c1 ZINC000289958187 371862982 /nfs/dbraw/zinc/86/29/82/371862982.db2.gz XZXRIBLRDHOPSR-UHFFFAOYSA-N -1 3 258.296 3.416 20 0 CGADHM CCC[C@H]1CCCN(C(=O)c2cccc(C)c2[O-])C1 ZINC000154989394 371895167 /nfs/dbraw/zinc/89/51/67/371895167.db2.gz COTVGJAMYMTDSA-ZDUSSCGKSA-N -1 3 261.365 3.353 20 0 CGADHM CCN(Cc1nc(C)ccc1[O-])[C@H](C)c1cccnc1 ZINC000290464803 371994954 /nfs/dbraw/zinc/99/49/54/371994954.db2.gz NFTBFOCNLNRWFJ-CYBMUJFWSA-N -1 3 271.364 3.074 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)SCc2ccccc2)n1 ZINC000155868161 371950207 /nfs/dbraw/zinc/95/02/07/371950207.db2.gz WCQIUYXMDXATBC-LLVKDONJSA-N -1 3 260.362 3.485 20 0 CGADHM CC[C@H](c1ccncc1)N(C)Cc1nc(C)ccc1[O-] ZINC000290295138 371955985 /nfs/dbraw/zinc/95/59/85/371955985.db2.gz ASWODCYMCWHFAZ-OAHLLOKOSA-N -1 3 271.364 3.074 20 0 CGADHM O=C(Nc1cc(C(F)(F)F)ccc1[O-])C1(CCF)CC1 ZINC000353352283 220041640 /nfs/dbraw/zinc/04/16/40/220041640.db2.gz SATITFXNEPATHD-UHFFFAOYSA-N -1 3 291.244 3.489 20 0 CGADHM [O-]c1cc(F)cc(CN2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c1 ZINC000291002429 372091677 /nfs/dbraw/zinc/09/16/77/372091677.db2.gz WCNBMPSTSDNFSB-CVEARBPZSA-N -1 3 291.366 3.065 20 0 CGADHM CCOCc1cccc(NC(=O)[N-]OC[C@@H](C)CC)c1 ZINC000292844440 372223733 /nfs/dbraw/zinc/22/37/33/372223733.db2.gz FMIMTXAZBGISRI-LBPRGKRZSA-N -1 3 280.368 3.322 20 0 CGADHM CC[C@@H](C)CON=C([O-])Nc1cc(F)c(F)cc1F ZINC000293065564 372290809 /nfs/dbraw/zinc/29/08/09/372290809.db2.gz ZGSMORBVLQQPQT-SSDOTTSWSA-N -1 3 276.258 3.203 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)Nc1cc(F)c(F)cc1F ZINC000293065564 372290822 /nfs/dbraw/zinc/29/08/22/372290822.db2.gz ZGSMORBVLQQPQT-SSDOTTSWSA-N -1 3 276.258 3.203 20 0 CGADHM Cc1ncc(CNCc2cc(Cl)ccc2Cl)c(=O)[n-]1 ZINC000344318901 217147616 /nfs/dbraw/zinc/14/76/16/217147616.db2.gz BFMGNYKNMNAGKD-UHFFFAOYSA-N -1 3 298.173 3.087 20 0 CGADHM COCCC1(CNCc2cccc([O-])c2Cl)CCC1 ZINC000293476998 372391699 /nfs/dbraw/zinc/39/16/99/372391699.db2.gz FKWACPGEAZBWBE-UHFFFAOYSA-N -1 3 283.799 3.342 20 0 CGADHM CCOc1ccccc1C(F)(F)C(=O)[N-]Cc1ccco1 ZINC000162642849 372409219 /nfs/dbraw/zinc/40/92/19/372409219.db2.gz SVVWSQYXMFLBDV-UHFFFAOYSA-N -1 3 295.285 3.087 20 0 CGADHM Cc1ccc([O-])c(CN2CCC[C@H]2c2cccs2)n1 ZINC000162688988 372409397 /nfs/dbraw/zinc/40/93/97/372409397.db2.gz QCJKHAQIHLPGMX-ZDUSSCGKSA-N -1 3 274.389 3.494 20 0 CGADHM Cc1ccc([C@H](O)CNCc2cccc([O-])c2Cl)cc1 ZINC000293363553 372365887 /nfs/dbraw/zinc/36/58/87/372365887.db2.gz USKOGDFFWXHKPA-OAHLLOKOSA-N -1 3 291.778 3.177 20 0 CGADHM [O-]c1ccc(F)c(CN[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)c1F ZINC000293776811 372478574 /nfs/dbraw/zinc/47/85/74/372478574.db2.gz BNRQURQVNVCKPM-XQAQDONZSA-N -1 3 287.309 3.098 20 0 CGADHM [O-]c1cccc(CN2CCC(CCCO)CC2)c1Cl ZINC000293634708 372431273 /nfs/dbraw/zinc/43/12/73/372431273.db2.gz NLGTZPDCVFQGDX-UHFFFAOYSA-N -1 3 283.799 3.030 20 0 CGADHM CO[C@H](CNCc1cccc([O-])c1Cl)C(C)(C)C ZINC000293724109 372460875 /nfs/dbraw/zinc/46/08/75/372460875.db2.gz YRUVMFGETPDHJX-GFCCVEGCSA-N -1 3 271.788 3.196 20 0 CGADHM Cc1oc2ccccc2c1CC(=O)Nc1ncccc1[O-] ZINC000344412379 217186648 /nfs/dbraw/zinc/18/66/48/217186648.db2.gz RKTDVNSAFSKCAL-UHFFFAOYSA-N -1 3 282.299 3.023 20 0 CGADHM CCc1cc(=O)[n-]c(CN(C)[C@H](C)Cc2ccc(C)cc2)n1 ZINC000344419313 217187387 /nfs/dbraw/zinc/18/73/87/217187387.db2.gz YGTNHBOFRDNFKC-CQSZACIVSA-N -1 3 299.418 3.116 20 0 CGADHM CC(C)[C@@]1(CO)CCCN(Cc2cccc([O-])c2Cl)C1 ZINC000293859705 372504871 /nfs/dbraw/zinc/50/48/71/372504871.db2.gz BZTOEYGVUYTAGT-INIZCTEOSA-N -1 3 297.826 3.276 20 0 CGADHM CCc1cc(=O)[n-]c(CSCC2CCCC2)n1 ZINC000344477973 217204775 /nfs/dbraw/zinc/20/47/75/217204775.db2.gz BLPRNDJJQBHNRL-UHFFFAOYSA-N -1 3 252.383 3.168 20 0 CGADHM CCc1nc(CCNCc2c(F)ccc([O-])c2F)cs1 ZINC000294116204 372585968 /nfs/dbraw/zinc/58/59/68/372585968.db2.gz GEESAJZRPIMDDU-UHFFFAOYSA-N -1 3 298.358 3.022 20 0 CGADHM [O-]c1cccc(CN2CCCCC[C@@H]2CCO)c1Cl ZINC000353389970 220059456 /nfs/dbraw/zinc/05/94/56/220059456.db2.gz SBTWBDILJDNZJM-CYBMUJFWSA-N -1 3 283.799 3.173 20 0 CGADHM [O-]c1cccc(CN2CCCCC[C@H]2CCO)c1Cl ZINC000353389971 220059486 /nfs/dbraw/zinc/05/94/86/220059486.db2.gz SBTWBDILJDNZJM-ZDUSSCGKSA-N -1 3 283.799 3.173 20 0 CGADHM CCC[C@H](OC)C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000295361862 372749372 /nfs/dbraw/zinc/74/93/72/372749372.db2.gz WBSQMWVYEFFZRW-NSHDSACASA-N -1 3 271.744 3.108 20 0 CGADHM CCOC[C@@H]1CCCN(Cc2cccc([O-])c2Cl)C1 ZINC000295509927 372809913 /nfs/dbraw/zinc/80/99/13/372809913.db2.gz ZAYPWUXSMAPECT-GFCCVEGCSA-N -1 3 283.799 3.294 20 0 CGADHM Cc1cc(C(=O)N2C[C@@H](C)Oc3ccccc32)ccc1[O-] ZINC000436938107 372843212 /nfs/dbraw/zinc/84/32/12/372843212.db2.gz KDLXUCKLHQEJKB-GFCCVEGCSA-N -1 3 283.327 3.128 20 0 CGADHM O=C(Nc1ccccc1[O-])C1(Cc2ccc(F)cc2)CC1 ZINC000438050787 372865890 /nfs/dbraw/zinc/86/58/90/372865890.db2.gz UEGBHKXYRXZUNC-UHFFFAOYSA-N -1 3 285.318 3.493 20 0 CGADHM Cc1ccc(C(=O)CC(C)(C)CC(=O)[N-]OC(C)C)cc1 ZINC000295709241 372885457 /nfs/dbraw/zinc/88/54/57/372885457.db2.gz PFIUDVRICGMPDV-UHFFFAOYSA-N -1 3 291.391 3.440 20 0 CGADHM CC[C@@H](F)CSc1nc2nc(C)cc(C)c2c(=O)[n-]1 ZINC000441852157 373040025 /nfs/dbraw/zinc/04/00/25/373040025.db2.gz ZQTIFFPPLHKIMZ-SECBINFHSA-N -1 3 281.356 3.187 20 0 CGADHM Cc1c(Br)ccc([O-])c1NC(=O)C1CCC1 ZINC000296247042 373068774 /nfs/dbraw/zinc/06/87/74/373068774.db2.gz XKKIDPXLCUSILS-UHFFFAOYSA-N -1 3 284.153 3.202 20 0 CGADHM COc1cc(C(=O)N[C@@H]2CCC[C@@H](C(C)C)C2)ccc1[O-] ZINC000442958009 373132214 /nfs/dbraw/zinc/13/22/14/373132214.db2.gz PSKCARVFFPFTGN-TZMCWYRMSA-N -1 3 291.391 3.345 20 0 CGADHM Cc1ccc([O-])c(C(=O)NCCc2ccc3[nH]ccc3c2)c1 ZINC000442990108 373138530 /nfs/dbraw/zinc/13/85/30/373138530.db2.gz FFUFTMWKSSCZIN-UHFFFAOYSA-N -1 3 294.354 3.154 20 0 CGADHM Cc1ccc(C(=O)NCCc2ccc3[nH]ccc3c2)c([O-])c1 ZINC000443005796 373139878 /nfs/dbraw/zinc/13/98/78/373139878.db2.gz XLCPBBXUBPBELG-UHFFFAOYSA-N -1 3 294.354 3.154 20 0 CGADHM C[C@H]1CC[C@H](N(CCO)Cc2cccc([O-])c2Cl)C1 ZINC000353558103 220155755 /nfs/dbraw/zinc/15/57/55/220155755.db2.gz WHHXTNLFDAUHJQ-AAEUAGOBSA-N -1 3 283.799 3.029 20 0 CGADHM CC[C@H](C)[C@H](NC(=O)c1ccc([O-])c(C)c1)C(F)(F)F ZINC000444563362 373200187 /nfs/dbraw/zinc/20/01/87/373200187.db2.gz ZGIHIBJZMBXHNR-UFBFGSQYSA-N -1 3 289.297 3.407 20 0 CGADHM CCC1(CC)CCN([C@@H](C)c2nc(C)cc(=O)[n-]2)CC1 ZINC000447882595 373513287 /nfs/dbraw/zinc/51/32/87/373513287.db2.gz POPVIQQLTKTNIP-ZDUSSCGKSA-N -1 3 277.412 3.454 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)N(C)Cc2cccc3[nH]ccc32)n1 ZINC000447883204 373514408 /nfs/dbraw/zinc/51/44/08/373514408.db2.gz RUTAOEKQVOYUEP-GFCCVEGCSA-N -1 3 296.374 3.165 20 0 CGADHM Cc1cc(C(=O)N=c2cc(-c3cccc(F)c3)o[n-]2)co1 ZINC000448539263 373581927 /nfs/dbraw/zinc/58/19/27/373581927.db2.gz SFNHBCYSLQICRX-UHFFFAOYSA-N -1 3 286.262 3.056 20 0 CGADHM CC[C@@H](C)c1cc(C(=O)[N-]c2cc(C)ns2)on1 ZINC000176430268 373595056 /nfs/dbraw/zinc/59/50/56/373595056.db2.gz BHAPVGOEWQZWLY-SSDOTTSWSA-N -1 3 265.338 3.205 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)N1CCC[C@H]2CCCC[C@H]21 ZINC000448604302 373622052 /nfs/dbraw/zinc/62/20/52/373622052.db2.gz CRCHUYKXCUSZPP-UKRRQHHQSA-N -1 3 291.366 3.255 20 0 CGADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H]3CC=CCC3)nc2)n1 ZINC000301357721 373758011 /nfs/dbraw/zinc/75/80/11/373758011.db2.gz YYZZXUHPQYPYBH-CQSZACIVSA-N -1 3 296.374 3.327 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])c1ccc(Cl)s1 ZINC000178330800 373766480 /nfs/dbraw/zinc/76/64/80/373766480.db2.gz WYTVNDBQONWEFK-UHFFFAOYSA-N -1 3 271.700 3.499 20 0 CGADHM CCO[C@H]1CCN(Cc2cccc([O-])c2Cl)C[C@H]1C ZINC000449492551 373785024 /nfs/dbraw/zinc/78/50/24/373785024.db2.gz CEYAVHYZMOZRSM-RISCZKNCSA-N -1 3 283.799 3.293 20 0 CGADHM Cc1ccccc1CC(=O)Nc1c(C)cccc1[O-] ZINC000179545152 373885798 /nfs/dbraw/zinc/88/57/98/373885798.db2.gz KAVZAVTYMINLCC-UHFFFAOYSA-N -1 3 255.317 3.190 20 0 CGADHM [O-]c1cc(F)cc(CN2CCC[C@@]3(CCSC3)C2)c1 ZINC000449736338 373862539 /nfs/dbraw/zinc/86/25/39/373862539.db2.gz WFIRBSGYINNXQS-OAHLLOKOSA-N -1 3 281.396 3.250 20 0 CGADHM COCC1(CNCc2cccc([O-])c2Cl)CCCC1 ZINC000449743099 373873789 /nfs/dbraw/zinc/87/37/89/373873789.db2.gz USMMXGZENGDJHG-UHFFFAOYSA-N -1 3 283.799 3.342 20 0 CGADHM O=C(CCCC(=O)C1CC1)Nc1cc(Cl)ccc1[O-] ZINC000449819820 373936380 /nfs/dbraw/zinc/93/63/80/373936380.db2.gz JXSKFHWFDDPSQA-UHFFFAOYSA-N -1 3 281.739 3.134 20 0 CGADHM Cc1cc(C)cc(OCCNC(=O)c2cccc(C)c2[O-])c1 ZINC000302993209 374007502 /nfs/dbraw/zinc/00/75/02/374007502.db2.gz LPOWAXKWKYVIIM-UHFFFAOYSA-N -1 3 299.370 3.126 20 0 CGADHM CCCCc1cc(NC(=O)c2cccc(C)c2[O-])n[nH]1 ZINC000302994338 374007747 /nfs/dbraw/zinc/00/77/47/374007747.db2.gz NCWZNBWIZVRKGI-UHFFFAOYSA-N -1 3 273.336 3.019 20 0 CGADHM COc1ccc([O-])c(C(=O)N2C[C@H](C)[C@H]3CCCC[C@@H]32)c1 ZINC000180528110 374018815 /nfs/dbraw/zinc/01/88/15/374018815.db2.gz FIVMAAKYUIDLHY-LNSITVRQSA-N -1 3 289.375 3.052 20 0 CGADHM CC[C@H](CC(C)C)C(=O)NCc1ccc([O-])c(F)c1 ZINC000449912445 373968137 /nfs/dbraw/zinc/96/81/37/373968137.db2.gz KRSBIKJJCNHMSC-GFCCVEGCSA-N -1 3 267.344 3.220 20 0 CGADHM CC(C)[C@H](C(=O)Nc1ncccc1[O-])c1ccccc1 ZINC000180998817 374068146 /nfs/dbraw/zinc/06/81/46/374068146.db2.gz IPQDEDXJAPDFPO-AWEZNQCLSA-N -1 3 270.332 3.166 20 0 CGADHM CC(=O)c1[n-]c(=N[C@H]2CCCC(F)(F)C2)sc1C ZINC000450392014 374099205 /nfs/dbraw/zinc/09/92/05/374099205.db2.gz MUKJLEYKBINKMA-VIFPVBQESA-N -1 3 274.336 3.066 20 0 CGADHM Cc1oc(CN2CC[C@@H](CC(C)C)C2)cc1C(=O)[O-] ZINC000307821370 374154619 /nfs/dbraw/zinc/15/46/19/374154619.db2.gz QJCOQOWQRRYJLF-LBPRGKRZSA-N -1 3 265.353 3.154 20 0 CGADHM CCCc1nc(C(=O)[N-]c2cccc(F)c2F)co1 ZINC000353681670 220253851 /nfs/dbraw/zinc/25/38/51/220253851.db2.gz WRIZQYKZZZDJCY-UHFFFAOYSA-N -1 3 266.247 3.158 20 0 CGADHM O=C([N-]c1nc(-c2cccs2)ns1)c1ccoc1 ZINC000182150098 374224604 /nfs/dbraw/zinc/22/46/04/374224604.db2.gz JRDGJMFPMMSOOV-UHFFFAOYSA-N -1 3 277.330 3.112 20 0 CGADHM O=C([O-])[C@H]1C=C[C@H](NCc2cc(Cl)ccc2Cl)C1 ZINC000310817962 374226019 /nfs/dbraw/zinc/22/60/19/374226019.db2.gz GXXIDFVLVOTJBI-KWQFWETISA-N -1 3 286.158 3.112 20 0 CGADHM CC(F)(F)CCNC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000452212220 374279649 /nfs/dbraw/zinc/27/96/49/374279649.db2.gz HEOPULKHSHAPJD-UHFFFAOYSA-N -1 3 283.318 3.046 20 0 CGADHM O=C(c1cc([O-])ccc1Cl)N1C[C@H]2CCCC[C@@H]2C1 ZINC000312077651 374268090 /nfs/dbraw/zinc/26/80/90/374268090.db2.gz KHKPNAOSWKHVJP-GHMZBOCLSA-N -1 3 279.767 3.308 20 0 CGADHM COc1ccc([O-])c(-c2nc(CCC(C)(C)C)no2)c1 ZINC000312166550 374272287 /nfs/dbraw/zinc/27/22/87/374272287.db2.gz FGUCJQOXOHYMHU-UHFFFAOYSA-N -1 3 276.336 3.430 20 0 CGADHM CN(CCc1ccc(Cl)cc1)C(=O)c1cccc([O-])c1 ZINC000182443467 374274498 /nfs/dbraw/zinc/27/44/98/374274498.db2.gz BOZFJNJIAPMXGZ-UHFFFAOYSA-N -1 3 289.762 3.360 20 0 CGADHM O=C(c1cccc([O-])c1)N1CCc2ccc(Cl)cc21 ZINC000182253908 374245502 /nfs/dbraw/zinc/24/55/02/374245502.db2.gz AZIAFSOUEKMYEL-UHFFFAOYSA-N -1 3 273.719 3.249 20 0 CGADHM Cc1cccc(CN(C)CCOc2ccccc2C(=O)[O-])c1 ZINC000315062164 374325451 /nfs/dbraw/zinc/32/54/51/374325451.db2.gz ZSRWCDCDYCGRKH-UHFFFAOYSA-N -1 3 299.370 3.204 20 0 CGADHM COc1cccc([C@H]2C[C@@H]2C(=O)Nc2c(C)cccc2[O-])c1 ZINC000183029948 374357893 /nfs/dbraw/zinc/35/78/93/374357893.db2.gz KYKTXZVLQNWNEJ-CABCVRRESA-N -1 3 297.354 3.451 20 0 CGADHM Cc1cccc([O-])c1NC(=O)[C@H](C)OCCC(C)C ZINC000183035375 374359559 /nfs/dbraw/zinc/35/95/59/374359559.db2.gz NKMVIJGTOXCYTC-LBPRGKRZSA-N -1 3 265.353 3.090 20 0 CGADHM C[C@H](Cc1ccccc1)C(=O)Nc1ccc([O-])cc1F ZINC000183253823 374394050 /nfs/dbraw/zinc/39/40/50/374394050.db2.gz GOJJKJJJDNEFLM-LLVKDONJSA-N -1 3 273.307 3.349 20 0 CGADHM CC(C)(C)CCN1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000087612464 541944618 /nfs/dbraw/zinc/94/46/18/541944618.db2.gz SYAPBIHTFAPLBK-CQSZACIVSA-N -1 3 261.365 3.107 20 0 CGADHM Cc1cc(CN2CCC(CCC(=O)[O-])CC2)ccc1F ZINC000086755843 541941082 /nfs/dbraw/zinc/94/10/82/541941082.db2.gz IAZZRNWTFHUKKQ-UHFFFAOYSA-N -1 3 279.355 3.211 20 0 CGADHM CC(C)(CCNCc1ccc(F)cc1F)CCC(=O)[O-] ZINC000087676638 541944954 /nfs/dbraw/zinc/94/49/54/541944954.db2.gz CGHDTIATYDBNLJ-UHFFFAOYSA-N -1 3 285.334 3.336 20 0 CGADHM [O-]c1ccc(F)c(CN2CCC[C@]3(CCCOC3)C2)c1F ZINC000334170039 206134188 /nfs/dbraw/zinc/13/41/88/206134188.db2.gz AUKCFNVRNXQYIG-INIZCTEOSA-N -1 3 297.345 3.063 20 0 CGADHM CCc1ccc([O-])c(C(=O)N(CCOC)c2ccccc2)c1 ZINC000456398186 374536239 /nfs/dbraw/zinc/53/62/39/374536239.db2.gz ZHIYWKUEQORCKN-UHFFFAOYSA-N -1 3 299.370 3.248 20 0 CGADHM CO[C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1[O-])C1CC1 ZINC000332130978 374554907 /nfs/dbraw/zinc/55/49/07/374554907.db2.gz DUQJKVKQYIDJCL-CQSZACIVSA-N -1 3 277.364 3.053 20 0 CGADHM CCc1nn(C)cc1/C=C/c1ccc2cccc([O-])c2n1 ZINC000092199073 541973015 /nfs/dbraw/zinc/97/30/15/541973015.db2.gz BRPXIOOWEYSBJP-CSKARUKUSA-N -1 3 279.343 3.407 20 0 CGADHM Cn1ncc2c1nc(SCC1(C)CCCCC1)[n-]c2=O ZINC000333749849 374617503 /nfs/dbraw/zinc/61/75/03/374617503.db2.gz XLEIPXPBQCZGHE-UHFFFAOYSA-N -1 3 292.408 3.131 20 0 CGADHM COc1cc(C)cc(CNCc2cc([O-])cc(F)c2)c1 ZINC000185606167 374697103 /nfs/dbraw/zinc/69/71/03/374697103.db2.gz IQSPLICZKMJLEG-UHFFFAOYSA-N -1 3 275.323 3.138 20 0 CGADHM O=C(NC1CC(c2ccccc2)C1)c1cccc([O-])c1 ZINC000334397937 374715430 /nfs/dbraw/zinc/71/54/30/374715430.db2.gz LRGGWTSNUPGXAU-UHFFFAOYSA-N -1 3 267.328 3.068 20 0 CGADHM O=C(Nc1cccc([O-])c1F)[C@@H]1CCCC(F)(F)C1 ZINC000334424657 374739156 /nfs/dbraw/zinc/73/91/56/374739156.db2.gz WOHVVOMXPCALGB-MRVPVSSYSA-N -1 3 273.254 3.295 20 0 CGADHM [O-]c1cc(F)cc(CN2CCO[C@@H](c3ccsc3)C2)c1 ZINC000186251660 374820201 /nfs/dbraw/zinc/82/02/01/374820201.db2.gz FLPSMSPJNOCHOI-OAHLLOKOSA-N -1 3 293.363 3.166 20 0 CGADHM CCCCn1cc(C(=O)Nc2cccc([O-])c2F)c(C)n1 ZINC000186278464 374825061 /nfs/dbraw/zinc/82/50/61/374825061.db2.gz IDIUFUMJLWXEAQ-UHFFFAOYSA-N -1 3 291.326 3.089 20 0 CGADHM CN(C(=O)c1ccc2c(c1[O-])CCCC2)c1nccs1 ZINC000186269420 374825073 /nfs/dbraw/zinc/82/50/73/374825073.db2.gz FAPOWVRUKRTIIG-UHFFFAOYSA-N -1 3 288.372 3.004 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CC=C(C(F)(F)F)CC2)c1 ZINC000334616686 374909267 /nfs/dbraw/zinc/90/92/67/374909267.db2.gz VITLVEVRRJCMAS-UHFFFAOYSA-N -1 3 299.292 3.289 20 0 CGADHM O=C(NC1CCCC1)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000187332152 375005853 /nfs/dbraw/zinc/00/58/53/375005853.db2.gz VZEGQAJZPCZJEK-UHFFFAOYSA-N -1 3 295.795 3.464 20 0 CGADHM COC(=O)c1cnc(SC/C=C/c2ccccc2)[n-]1 ZINC000187590912 375049849 /nfs/dbraw/zinc/04/98/49/375049849.db2.gz GJDYQBLCHXHPLJ-VMPITWQZSA-N -1 3 274.345 3.002 20 0 CGADHM COC(=O)c1cnc(S[C@H](C)c2cccc(F)c2)[n-]1 ZINC000187587948 375049900 /nfs/dbraw/zinc/04/99/00/375049900.db2.gz WQWLRDPCLJWAHA-MRVPVSSYSA-N -1 3 280.324 3.189 20 0 CGADHM COc1ccc([C@@H]2C[C@H]2C(=O)Nc2ccc(C)cc2[O-])cc1 ZINC000096774552 541993791 /nfs/dbraw/zinc/99/37/91/541993791.db2.gz OJNZYCCAJXYDEZ-LSDHHAIUSA-N -1 3 297.354 3.451 20 0 CGADHM C[C@H]1C[C@H](C(C)(C)C)CCN1C(=O)c1csc(=O)[n-]1 ZINC000335201161 375221804 /nfs/dbraw/zinc/22/18/04/375221804.db2.gz CKPBIUPRFKBBKG-VHSXEESVSA-N -1 3 282.409 3.136 20 0 CGADHM CCc1noc(C)c1NC(=O)c1ccc(CC)cc1[O-] ZINC000188554664 375230741 /nfs/dbraw/zinc/23/07/41/375230741.db2.gz YCSUCCBNABRTKH-UHFFFAOYSA-N -1 3 274.320 3.066 20 0 CGADHM [O-]c1cccc(CN2CCC[C@H]2[C@H]2CCCOC2)c1Cl ZINC000335425280 375283914 /nfs/dbraw/zinc/28/39/14/375283914.db2.gz QZYYAWQDRCTPME-KBPBESRZSA-N -1 3 295.810 3.437 20 0 CGADHM C[C@H]1CCC[C@@H](NC(=O)c2c[n-]c3ccccc3c2=O)CC1 ZINC000188918171 375291758 /nfs/dbraw/zinc/29/17/58/375291758.db2.gz QASKVGFQWFTVIF-QWHCGFSZSA-N -1 3 298.386 3.227 20 0 CGADHM CCc1ccc(C(=O)Nc2ccc3c(c2)COC3)c([O-])c1 ZINC000188947120 375296896 /nfs/dbraw/zinc/29/68/96/375296896.db2.gz UGCDGVNJQUABNE-UHFFFAOYSA-N -1 3 283.327 3.237 20 0 CGADHM C[C@H]1CCN(Cc2cc3cc(F)ccc3o2)C[C@H]1C(=O)[O-] ZINC000335443286 375298232 /nfs/dbraw/zinc/29/82/32/375298232.db2.gz MZPFNPMEGVMBEG-IINYFYTJSA-N -1 3 291.322 3.115 20 0 CGADHM C[C@@H](c1ccc(F)c(F)c1)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000263369210 296228143 /nfs/dbraw/zinc/22/81/43/296228143.db2.gz UVKFGOZQSVCDOX-SCVCMEIPSA-N -1 3 283.318 3.068 20 0 CGADHM CCc1ccc(C(=O)N2CCC[C@@H]2c2ccncc2)c([O-])c1 ZINC000189014502 375311512 /nfs/dbraw/zinc/31/15/12/375311512.db2.gz NKTCEBHJKXXPFH-MRXNPFEDSA-N -1 3 296.370 3.327 20 0 CGADHM CCc1ccccc1CC(=O)Nc1c(C)cccc1[O-] ZINC000189088469 375322229 /nfs/dbraw/zinc/32/22/29/375322229.db2.gz QGVHAKLZZOLYJB-UHFFFAOYSA-N -1 3 269.344 3.444 20 0 CGADHM CCc1ccc(C(=O)NCCC[C@@H]2CCCCO2)c([O-])c1 ZINC000189729999 375441295 /nfs/dbraw/zinc/44/12/95/375441295.db2.gz NRRZLMBOLMRQGJ-AWEZNQCLSA-N -1 3 291.391 3.034 20 0 CGADHM CCc1ccccc1CC(=O)Nc1ccc(C)cc1[O-] ZINC000189816130 375449945 /nfs/dbraw/zinc/44/99/45/375449945.db2.gz XMMUZXYQENDNPQ-UHFFFAOYSA-N -1 3 269.344 3.444 20 0 CGADHM Cc1ccn(C)c1C(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000190780930 375537763 /nfs/dbraw/zinc/53/77/63/375537763.db2.gz ABLYTNOOZWQHLS-NSHDSACASA-N -1 3 284.359 3.193 20 0 CGADHM Cc1ccn(C)c1C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000190328140 375495095 /nfs/dbraw/zinc/49/50/95/375495095.db2.gz NVKPFEZPJKCNOI-UHFFFAOYSA-N -1 3 278.739 3.253 20 0 CGADHM C[C@@H]1CCC[C@H](NC(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC000190582299 375521937 /nfs/dbraw/zinc/52/19/37/375521937.db2.gz GLJIQEQMPZHQJO-YPMHNXCESA-N -1 3 294.370 3.299 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])c1cc[nH]c1C1CCC1 ZINC000336100274 375687355 /nfs/dbraw/zinc/68/73/55/375687355.db2.gz VWKBRMZZCGWPMU-UHFFFAOYSA-N -1 3 274.295 3.379 20 0 CGADHM CC(C)[C@@H]1CCCN1Cc1c(F)ccc([O-])c1F ZINC000507222837 375689014 /nfs/dbraw/zinc/68/90/14/375689014.db2.gz WSMAHRXAJLTBFW-LBPRGKRZSA-N -1 3 255.308 3.291 20 0 CGADHM CCC(CC)N(CCOC)Cc1c(F)ccc([O-])c1F ZINC000507391743 375698357 /nfs/dbraw/zinc/69/83/57/375698357.db2.gz LYIHKFZHEXVTTH-UHFFFAOYSA-N -1 3 287.350 3.307 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCCc3ccccc3C2)n1 ZINC000192580833 375767434 /nfs/dbraw/zinc/76/74/34/375767434.db2.gz UUKZWFDYAJQQKG-CYBMUJFWSA-N -1 3 283.375 3.000 20 0 CGADHM C[C@@H](c1ccccc1)N(Cc1n[nH]c(=O)[n-]1)C1CCCC1 ZINC000425440010 296235771 /nfs/dbraw/zinc/23/57/71/296235771.db2.gz BLPGNZXYAZUAFT-LBPRGKRZSA-N -1 3 286.379 3.016 20 0 CGADHM Cc1[nH]c2ccccc2c1CC(=O)Nc1nc(C)ccc1[O-] ZINC000345939029 217754877 /nfs/dbraw/zinc/75/48/77/217754877.db2.gz YHQGMTITRPVJIR-UHFFFAOYSA-N -1 3 295.342 3.067 20 0 CGADHM O=C(Nc1cccc([O-])c1F)c1cnc(C2CC2)s1 ZINC000334269455 206287560 /nfs/dbraw/zinc/28/75/60/206287560.db2.gz QRWXJXMTPDPJKP-UHFFFAOYSA-N -1 3 278.308 3.118 20 0 CGADHM C[C@@H]1CC[C@H](C(=O)[O-])CN1CCc1c(F)cccc1Cl ZINC000520581851 375866292 /nfs/dbraw/zinc/86/62/92/375866292.db2.gz GNHYIVWSTDKHDL-MNOVXSKESA-N -1 3 299.773 3.207 20 0 CGADHM COc1ccc(CNCc2cccc([O-])c2Cl)cc1 ZINC000336886511 376018535 /nfs/dbraw/zinc/01/85/35/376018535.db2.gz CDGZLHXIBKLXQB-UHFFFAOYSA-N -1 3 277.751 3.344 20 0 CGADHM O=C(c1ccc2c(c1[O-])CCCC2)N1CC[C@@H]2CCC[C@H]21 ZINC000436838024 296238798 /nfs/dbraw/zinc/23/87/98/296238798.db2.gz POLBRNMRUKGQAV-XJKSGUPXSA-N -1 3 285.387 3.286 20 0 CGADHM Cc1nc([N-]C(=O)c2cc(-c3ccccc3)no2)cs1 ZINC000338131739 376264081 /nfs/dbraw/zinc/26/40/81/376264081.db2.gz MHRQJKRWSBXTEE-UHFFFAOYSA-N -1 3 285.328 3.359 20 0 CGADHM CC[C@@H](C)c1cc(C(=O)[N-]c2csc(C)n2)on1 ZINC000338134691 376265885 /nfs/dbraw/zinc/26/58/85/376265885.db2.gz PHRIOADHPGFAPK-SSDOTTSWSA-N -1 3 265.338 3.205 20 0 CGADHM Cc1ccc(C(=O)N[C@H](c2cccnc2)C2CC2)c([O-])c1C ZINC000538764151 376269598 /nfs/dbraw/zinc/26/95/98/376269598.db2.gz QBFSDEFOTFCDDY-INIZCTEOSA-N -1 3 296.370 3.285 20 0 CGADHM Cc1ccccc1-c1cc(=NC(=O)Cc2cccs2)[nH][n-]1 ZINC000338389510 376361311 /nfs/dbraw/zinc/36/13/11/376361311.db2.gz ZEGZPBSEHUYORH-UHFFFAOYSA-N -1 3 297.383 3.050 20 0 CGADHM Cc1ccccc1[C@H](C)[N-]S(=O)(=O)c1sccc1F ZINC000338852544 376550489 /nfs/dbraw/zinc/55/04/89/376550489.db2.gz UFWAAQWPROXFFZ-JTQLQIEISA-N -1 3 299.392 3.235 20 0 CGADHM CN(Cc1ccc[nH]1)C(=O)c1cc([O-])ccc1C(F)(F)F ZINC000338838519 376547944 /nfs/dbraw/zinc/54/79/44/376547944.db2.gz VOXORBUZPMDGTN-UHFFFAOYSA-N -1 3 298.264 3.011 20 0 CGADHM Cc1ncsc1CN(C)C(=O)c1cc([O-])ccc1Cl ZINC000234295232 376615669 /nfs/dbraw/zinc/61/56/69/376615669.db2.gz OGQHRKAPXFUACG-UHFFFAOYSA-N -1 3 296.779 3.083 20 0 CGADHM CCCC[C@@H](CCC)[N-]S(=O)(=O)c1cnc(C)s1 ZINC000339047548 376645262 /nfs/dbraw/zinc/64/52/62/376645262.db2.gz FYKIGMIJXXBGOA-LLVKDONJSA-N -1 3 290.454 3.089 20 0 CGADHM C[C@@H]1C[C@H](C)CN(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000235672819 376649876 /nfs/dbraw/zinc/64/98/76/376649876.db2.gz UVLLOANALPWCIG-AOOOYVTPSA-N -1 3 267.756 3.164 20 0 CGADHM COc1ccc(NC(=O)CCC(=O)c2ccccc2)c([O-])c1 ZINC000135401761 542087054 /nfs/dbraw/zinc/08/70/54/542087054.db2.gz CRYMPGNDAHMCPT-UHFFFAOYSA-N -1 3 299.326 3.002 20 0 CGADHM CCc1cc(C)c(C(=O)Nc2ccc(OC)cc2[O-])o1 ZINC000135417893 542088169 /nfs/dbraw/zinc/08/81/69/542088169.db2.gz SENYPHMCKWQQHS-UHFFFAOYSA-N -1 3 275.304 3.117 20 0 CGADHM c1coc(-c2cc(-c3nc(C4CCCC4)no3)n[n-]2)c1 ZINC000264678816 190127903 /nfs/dbraw/zinc/12/79/03/190127903.db2.gz YPBYFVODEUABHR-UHFFFAOYSA-N -1 3 270.292 3.377 20 0 CGADHM c1coc(-c2cc(-c3nc(C4CCCC4)no3)[n-]n2)c1 ZINC000264678816 190127904 /nfs/dbraw/zinc/12/79/04/190127904.db2.gz YPBYFVODEUABHR-UHFFFAOYSA-N -1 3 270.292 3.377 20 0 CGADHM Cc1cc(C[S@@](=O)c2ccc([O-])cc2)c(C)s1 ZINC000170973638 321918008 /nfs/dbraw/zinc/91/80/08/321918008.db2.gz RMFDRYVKKGRXNR-QGZVFWFLSA-N -1 3 266.387 3.378 20 0 CGADHM Cc1ccc2[n-]cc(C(=O)N(CC3CC3)C(C)C)c(=O)c2c1 ZINC000557430051 376935614 /nfs/dbraw/zinc/93/56/14/376935614.db2.gz JSUWYTZLEXUOAV-UHFFFAOYSA-N -1 3 298.386 3.097 20 0 CGADHM Cc1ccccc1[C@H](C)CC(=O)N=c1cc2ccccn2[n-]1 ZINC000557527666 376942079 /nfs/dbraw/zinc/94/20/79/376942079.db2.gz RESBAAUIRRXOKR-CQSZACIVSA-N -1 3 293.370 3.197 20 0 CGADHM C[C@H](C(=O)Nc1cccc(Cl)c1[O-])N1[C@H](C)CC[C@@H]1C ZINC000246737125 377081523 /nfs/dbraw/zinc/08/15/23/377081523.db2.gz KAQHRTPFQXHMBX-OUAUKWLOSA-N -1 3 296.798 3.245 20 0 CGADHM CCC[C@]1(COC)CCCN1C(=O)c1ccc([O-])c(C)c1 ZINC000278142186 193843183 /nfs/dbraw/zinc/84/31/83/193843183.db2.gz WOKJKIRGXNMSFH-QGZVFWFLSA-N -1 3 291.391 3.122 20 0 CGADHM CCO[N-]C(=O)[C@H]1C[C@H]1c1cccc(Cl)c1Cl ZINC000264821129 190136733 /nfs/dbraw/zinc/13/67/33/190136733.db2.gz XRNJBDULDKPQIT-IUCAKERBSA-N -1 3 274.147 3.165 20 0 CGADHM CCc1cc(C(=O)N(C)CCOc2ccccc2)ccc1[O-] ZINC000340952562 377334941 /nfs/dbraw/zinc/33/49/41/377334941.db2.gz KILQMBITVMWOIC-UHFFFAOYSA-N -1 3 299.370 3.106 20 0 CGADHM CC[C@H](C)c1cc(C(=O)[N-]c2ncc(COC)s2)on1 ZINC000340831253 377277445 /nfs/dbraw/zinc/27/74/45/377277445.db2.gz ISONOWAYRJOSGY-QMMMGPOBSA-N -1 3 295.364 3.043 20 0 CGADHM COc1ccc(C(=O)N2C[C@H](C)[C@@H]3CCCC[C@H]32)c([O-])c1 ZINC000248386873 377301556 /nfs/dbraw/zinc/30/15/56/377301556.db2.gz ODQFXLWKQQWUPD-CORIIIEPSA-N -1 3 289.375 3.052 20 0 CGADHM C[C@@H]1CC[C@@H](NC(=O)c2cc(=O)c3ccccc3[n-]2)[C@H](C)C1 ZINC000264907097 190143325 /nfs/dbraw/zinc/14/33/25/190143325.db2.gz JCEBEMZKAXOQIM-YRGRVCCFSA-N -1 3 298.386 3.495 20 0 CGADHM CCCC[C@H](C(=O)[O-])N(C)Cc1ccc(F)cc1F ZINC000563276727 377429552 /nfs/dbraw/zinc/42/95/52/377429552.db2.gz CTKNCEGKMSBBDE-CYBMUJFWSA-N -1 3 271.307 3.040 20 0 CGADHM CCC[C@@H](C(=O)[O-])N(C)Cc1ccc(F)cc1Cl ZINC000563278227 377432998 /nfs/dbraw/zinc/43/29/98/377432998.db2.gz STESDJCLVSAJBI-LBPRGKRZSA-N -1 3 273.735 3.164 20 0 CGADHM CC(C)(C)c1cc(-c2nc(-c3ccc([O-])cc3)no2)n[nH]1 ZINC000264969533 190148970 /nfs/dbraw/zinc/14/89/70/190148970.db2.gz FBBIZMYWQRGBGS-UHFFFAOYSA-N -1 3 284.319 3.130 20 0 CGADHM O=C(Nc1c([O-])cccc1Cl)[C@H]1CCCSC1 ZINC000563399370 377457482 /nfs/dbraw/zinc/45/74/82/377457482.db2.gz WODBEWBDMWHFIX-QMMMGPOBSA-N -1 3 271.769 3.127 20 0 CGADHM CCc1nc(C(C)C)ccc1CN(C)[C@H](C)CC(=O)[O-] ZINC000563453090 377470497 /nfs/dbraw/zinc/47/04/97/377470497.db2.gz DVDXRZHAVXHRJP-GFCCVEGCSA-N -1 3 278.396 3.062 20 0 CGADHM O=C([O-])CN(Cc1cc2ccccc2o1)C1CCCC1 ZINC000086749075 249018710 /nfs/dbraw/zinc/01/87/10/249018710.db2.gz PKEUBMKPEZJCDJ-UHFFFAOYSA-N -1 3 273.332 3.262 20 0 CGADHM COC[C@H]1CCCN(C(=O)c2ccc(C(C)C)cc2[O-])C1 ZINC000265101211 190157538 /nfs/dbraw/zinc/15/75/38/190157538.db2.gz XFZWZDNWOUWMJO-ZDUSSCGKSA-N -1 3 291.391 3.014 20 0 CGADHM Cc1cc([C@H](C)NC(=O)c2c([O-])cccc2O)c(C)s1 ZINC000092107863 249032883 /nfs/dbraw/zinc/03/28/83/249032883.db2.gz IBHAVGPHCANUSW-VIFPVBQESA-N -1 3 291.372 3.267 20 0 CGADHM CCc1oc(C(=O)[O-])cc1CN1CCC[C@H](C)[C@@H]1C ZINC000516479360 249235044 /nfs/dbraw/zinc/23/50/44/249235044.db2.gz JIBRMOYPJZKBLK-QWRGUYRKSA-N -1 3 265.353 3.161 20 0 CGADHM C[C@@H](CN(Cc1ccc(Cl)cc1F)C1CC1)C(=O)[O-] ZINC000517035322 249254739 /nfs/dbraw/zinc/25/47/39/249254739.db2.gz FOLVGKAARWDRIQ-VIFPVBQESA-N -1 3 285.746 3.164 20 0 CGADHM CCC[C@@H](CC)S(=O)(=O)[N-]c1cc(C)ccc1O ZINC000517352546 249263798 /nfs/dbraw/zinc/26/37/98/249263798.db2.gz HGHXXYKDKBCZGC-LLVKDONJSA-N -1 3 271.382 3.021 20 0 CGADHM CS[C@H]1CCCCN(Cc2ccc(C(=O)[O-])cc2F)C1 ZINC000574578919 377683367 /nfs/dbraw/zinc/68/33/67/377683367.db2.gz WAIKWNQUGPTHKE-ZDUSSCGKSA-N -1 3 297.395 3.241 20 0 CGADHM Cc1cccc(Cl)c1CN1CCCC[C@H]1C(=O)[O-] ZINC000574763485 377706087 /nfs/dbraw/zinc/70/60/87/377706087.db2.gz UJOGZHCZBFAPDP-ZDUSSCGKSA-N -1 3 267.756 3.088 20 0 CGADHM CC/C=C\CCSCc1nc(CC)cc(=O)[n-]1 ZINC000342730457 377759973 /nfs/dbraw/zinc/75/99/73/377759973.db2.gz GXKPLBFZAUWRCI-WAYWQWQTSA-N -1 3 252.383 3.334 20 0 CGADHM COC[C@@H](C)CC(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000342945949 377870892 /nfs/dbraw/zinc/87/08/92/377870892.db2.gz VDIOVNHJLSAGBD-QMMMGPOBSA-N -1 3 291.269 3.022 20 0 CGADHM Cc1ccc2[n-]cc(C(=O)N3CCC(C)=C(C)C3)c(=O)c2c1 ZINC000343000030 377878365 /nfs/dbraw/zinc/87/83/65/377878365.db2.gz MMWSWVQLEYEACO-UHFFFAOYSA-N -1 3 296.370 3.019 20 0 CGADHM Cc1cccc2c1N(C(=O)c1cc(-c3ccco3)[n-]n1)CC2 ZINC000342910708 377855146 /nfs/dbraw/zinc/85/51/46/377855146.db2.gz KKQZWLGHOWMUOE-UHFFFAOYSA-N -1 3 293.326 3.181 20 0 CGADHM Cc1cccc2c1N(C(=O)c1cc(-c3ccco3)n[n-]1)CC2 ZINC000342910708 377855152 /nfs/dbraw/zinc/85/51/52/377855152.db2.gz KKQZWLGHOWMUOE-UHFFFAOYSA-N -1 3 293.326 3.181 20 0 CGADHM Cc1cc(Cl)cc(CN2C[C@H](C(=O)[O-])C[C@H](C)C2)c1 ZINC000263081747 377918331 /nfs/dbraw/zinc/91/83/31/377918331.db2.gz RVYVGLPZSSPDTC-WCQYABFASA-N -1 3 281.783 3.191 20 0 CGADHM CCSc1cccc(CN2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000263449720 377937841 /nfs/dbraw/zinc/93/78/41/377937841.db2.gz ZCEFVTOOUMOMLP-CYBMUJFWSA-N -1 3 279.405 3.095 20 0 CGADHM CCC(CC)(CNCc1ncc(C(C)C)s1)C(=O)[O-] ZINC000263040935 377914780 /nfs/dbraw/zinc/91/47/80/377914780.db2.gz IVEWKRRKWAEUFA-UHFFFAOYSA-N -1 3 284.425 3.247 20 0 CGADHM CCC[C@H](CC)S(=O)(=O)[N-]c1cc(OC)ccc1F ZINC000577854299 378018084 /nfs/dbraw/zinc/01/80/84/378018084.db2.gz IVVVKHZJXDFTBX-NSHDSACASA-N -1 3 289.372 3.155 20 0 CGADHM COc1cc(SC)ccc1NC([O-])=NOC1CCCC1 ZINC000278281701 193896675 /nfs/dbraw/zinc/89/66/75/193896675.db2.gz GLMYBWAEMAAHRE-UHFFFAOYSA-N -1 3 296.392 3.413 20 0 CGADHM COc1cc(SC)ccc1NC(=O)[N-]OC1CCCC1 ZINC000278281701 193896678 /nfs/dbraw/zinc/89/66/78/193896678.db2.gz GLMYBWAEMAAHRE-UHFFFAOYSA-N -1 3 296.392 3.413 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)N(C)Cc2ccc(Cl)s2)n1 ZINC000268463232 378063108 /nfs/dbraw/zinc/06/31/08/378063108.db2.gz XLHWNKMXNQQFKM-SECBINFHSA-N -1 3 297.811 3.399 20 0 CGADHM CC(C)(C)c1ccc(NC(=O)[C@@H]2[C@@H]3CCCO[C@H]23)c([O-])c1 ZINC000578454789 378071660 /nfs/dbraw/zinc/07/16/60/378071660.db2.gz OKCVBCTZSFIHDR-GLQYFDAESA-N -1 3 289.375 3.053 20 0 CGADHM CCCN(Cc1ccccc1)C(=O)c1cccc([O-])c1 ZINC000343886701 378125548 /nfs/dbraw/zinc/12/55/48/378125548.db2.gz KTYXKBNGXCLQIC-UHFFFAOYSA-N -1 3 269.344 3.445 20 0 CGADHM CCCc1cccc(CN[C@@H](CC(=O)[O-])c2ccncc2)c1 ZINC000579253401 378144855 /nfs/dbraw/zinc/14/48/55/378144855.db2.gz RXWCCRGOSXGSIP-KRWDZBQOSA-N -1 3 298.386 3.340 20 0 CGADHM CCc1ccc(CN(C)Cc2ccc(C(=O)[O-])o2)cc1 ZINC000579250724 378145441 /nfs/dbraw/zinc/14/54/41/378145441.db2.gz QDCWUYFXIDKYBX-UHFFFAOYSA-N -1 3 273.332 3.172 20 0 CGADHM Cc1ccc(C[C@@H](C)N(C)Cc2ccc(C(=O)[O-])o2)cc1 ZINC000578777953 378099405 /nfs/dbraw/zinc/09/94/05/378099405.db2.gz AIIZQMVYSAHFHR-CYBMUJFWSA-N -1 3 287.359 3.349 20 0 CGADHM CCc1oc(C(=O)[O-])cc1CN1CCCC[C@H]1CC ZINC000580084393 378222525 /nfs/dbraw/zinc/22/25/25/378222525.db2.gz RZMNZDMNOWQXTO-GFCCVEGCSA-N -1 3 265.353 3.305 20 0 CGADHM O=C([O-])c1ccccc1CCN1CCc2cccc(F)c2C1 ZINC000579722350 378188784 /nfs/dbraw/zinc/18/87/84/378188784.db2.gz IWJAEERTCOBFON-UHFFFAOYSA-N -1 3 299.345 3.125 20 0 CGADHM CCc1cccc(-c2nc(-c3ccc(C)nc3)no2)c1[O-] ZINC000579894253 378203869 /nfs/dbraw/zinc/20/38/69/378203869.db2.gz AAAVNVNIKJHUOR-UHFFFAOYSA-N -1 3 281.315 3.375 20 0 CGADHM C[C@@H]1CCCC[C@@H]1c1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000579965805 378213012 /nfs/dbraw/zinc/21/30/12/378213012.db2.gz RSJAGIBTLWRXPN-KOLCDFICSA-N -1 3 283.335 3.302 20 0 CGADHM C[C@@H]1CCN(Cc2oncc2C(=O)[O-])CC12CCCCC2 ZINC000579603367 378175252 /nfs/dbraw/zinc/17/52/52/378175252.db2.gz SKEQEVMOWUEVPS-GFCCVEGCSA-N -1 3 292.379 3.165 20 0 CGADHM Cc1cc(C(=O)[N-]c2nc(CC(C)(C)C)cs2)on1 ZINC000345480670 378292904 /nfs/dbraw/zinc/29/29/04/378292904.db2.gz ZPALEPMQHNQDKX-UHFFFAOYSA-N -1 3 279.365 3.280 20 0 CGADHM [O-]c1cccnc1CN(Cc1cccs1)C1CC1 ZINC000582029761 378280106 /nfs/dbraw/zinc/28/01/06/378280106.db2.gz KWXHGJVEHOUSTA-UHFFFAOYSA-N -1 3 260.362 3.013 20 0 CGADHM CC[C@H](C(=O)Nc1ccc([O-])c(Cl)c1)N(CC)CC ZINC000269657813 378250113 /nfs/dbraw/zinc/25/01/13/378250113.db2.gz SIIVVKUCMFSPFB-GFCCVEGCSA-N -1 3 284.787 3.105 20 0 CGADHM CC[C@@H]1CCN([C@@H](C(=O)[O-])c2c(F)cccc2Cl)C1 ZINC000583817809 378350121 /nfs/dbraw/zinc/35/01/21/378350121.db2.gz BZMMKBUNDFYIOP-NOZJJQNGSA-N -1 3 285.746 3.337 20 0 CGADHM C[C@H](CN1CCC[C@H](CC(=O)[O-])C1)c1cc(F)cc(F)c1 ZINC000583919095 378358024 /nfs/dbraw/zinc/35/80/24/378358024.db2.gz PMLXDJZNEMZVFM-VXGBXAGGSA-N -1 3 297.345 3.255 20 0 CGADHM Cc1ccc([O-])c(NC(=O)CC(C)(C)c2ccccc2)n1 ZINC000345918457 378407989 /nfs/dbraw/zinc/40/79/89/378407989.db2.gz AXJVZEGQTOAPDI-UHFFFAOYSA-N -1 3 284.359 3.402 20 0 CGADHM CC[C@H]1CCC[C@@H]1CNC(=O)c1c[n-]nc1-c1ccccn1 ZINC000584035111 378368398 /nfs/dbraw/zinc/36/83/98/378368398.db2.gz CJYMGFRJJJCUDZ-QWHCGFSZSA-N -1 3 298.390 3.028 20 0 CGADHM COc1cc(CN2CCC[C@](C)(C(=O)[O-])C2)ccc1Cl ZINC000584474801 378388677 /nfs/dbraw/zinc/38/86/77/378388677.db2.gz HTAMAWFFUAFERB-HNNXBMFYSA-N -1 3 297.782 3.035 20 0 CGADHM Cc1ccc([O-])c(CN(Cc2ccco2)C(C)C)n1 ZINC000271054476 378442399 /nfs/dbraw/zinc/44/23/99/378442399.db2.gz SDOAUUITLJMLHT-UHFFFAOYSA-N -1 3 260.337 3.099 20 0 CGADHM Cn1ncc(NC(=O)c2cccc([O-])c2)c1-c1ccccc1 ZINC000346505184 378597807 /nfs/dbraw/zinc/59/78/07/378597807.db2.gz QJGNAQTZWMXUJL-UHFFFAOYSA-N -1 3 293.326 3.045 20 0 CGADHM Cc1cccc([O-])c1NC(=O)CCc1ccc(N(C)C)cc1 ZINC000272372837 378623331 /nfs/dbraw/zinc/62/33/31/378623331.db2.gz AXHKKZZLVHGLQL-UHFFFAOYSA-N -1 3 298.386 3.338 20 0 CGADHM Cc1cc(C(=O)N2CCC[C@@H]2C(C)(C)C)ccc1[O-] ZINC000272550158 378662807 /nfs/dbraw/zinc/66/28/07/378662807.db2.gz YVWBTNVFCFXUJU-CQSZACIVSA-N -1 3 261.365 3.351 20 0 CGADHM Cc1cc(C(=O)N2CC[C@@H](c3ccc(F)cc3)C2)ccc1[O-] ZINC000272631706 378681576 /nfs/dbraw/zinc/68/15/76/378681576.db2.gz KKPYNNBUFRKHFF-OAHLLOKOSA-N -1 3 299.345 3.469 20 0 CGADHM CCS[C@@H]1CCCCN(C(=O)c2cccc([O-])c2)C1 ZINC000272704911 378692307 /nfs/dbraw/zinc/69/23/07/378692307.db2.gz CAWWNKGIFWONJI-CQSZACIVSA-N -1 3 279.405 3.140 20 0 CGADHM O=C(N[C@@H]1CCOC2(CCCCC2)C1)c1cccc([O-])c1 ZINC000272793312 378705072 /nfs/dbraw/zinc/70/50/72/378705072.db2.gz XDCJJJFMGIZPIW-CQSZACIVSA-N -1 3 289.375 3.004 20 0 CGADHM CC[C@](C)(NCc1nc(C)ccc1[O-])c1nc(C)cs1 ZINC000266183423 190238291 /nfs/dbraw/zinc/23/82/91/190238291.db2.gz WGKVMHRSUVJJGB-HNNXBMFYSA-N -1 3 291.420 3.276 20 0 CGADHM CC[C@H](NCc1cnc(C)[n-]c1=O)c1ccc(Cl)s1 ZINC000346810570 218022840 /nfs/dbraw/zinc/02/28/40/218022840.db2.gz RXSFJKIPOLKKKF-JTQLQIEISA-N -1 3 297.811 3.446 20 0 CGADHM CCO[N-]C(=O)/C=C(\C)c1cccc(C(F)(F)F)c1 ZINC000266222468 190241536 /nfs/dbraw/zinc/24/15/36/190241536.db2.gz CKMOISQOLHCIBE-VQHVLOKHSA-N -1 3 273.254 3.176 20 0 CGADHM C[C@@H]1CC(C)(C)CN1Cc1csc(C(=O)[O-])c1 ZINC000515660279 296284427 /nfs/dbraw/zinc/28/44/27/296284427.db2.gz UTOWHFMJEAJJBM-SECBINFHSA-N -1 3 253.367 3.067 20 0 CGADHM [O-]c1cc(F)cc(CN2CCC=C(c3ccco3)C2)c1 ZINC000348673556 379014481 /nfs/dbraw/zinc/01/44/81/379014481.db2.gz NDDBFGXDPNCOLZ-UHFFFAOYSA-N -1 3 273.307 3.414 20 0 CGADHM CCC1(C)CCN(C(=O)c2ccc([O-])c(OC)c2)CC1 ZINC000277002108 379040916 /nfs/dbraw/zinc/04/09/16/379040916.db2.gz ZLYZORGCIMLXBT-UHFFFAOYSA-N -1 3 277.364 3.053 20 0 CGADHM CC[C@H]1OCCC[C@@H]1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000277232239 379106382 /nfs/dbraw/zinc/10/63/82/379106382.db2.gz BNVBNYDXZASHMK-GXFFZTMASA-N -1 3 283.755 3.189 20 0 CGADHM C[C@H](CCCC(=O)[O-])NCc1cccc(Cl)c1F ZINC000277257522 379111141 /nfs/dbraw/zinc/11/11/41/379111141.db2.gz KIQVSMFJUXRYAT-SECBINFHSA-N -1 3 273.735 3.212 20 0 CGADHM C[C@@H](CCC(C)(C)C)C(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000348874566 379094443 /nfs/dbraw/zinc/09/44/43/379094443.db2.gz INXAVKOLJHDEOV-JTQLQIEISA-N -1 3 290.367 3.466 20 0 CGADHM C[C@@H](CCC(C)(C)C)C(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000348874566 379094451 /nfs/dbraw/zinc/09/44/51/379094451.db2.gz INXAVKOLJHDEOV-JTQLQIEISA-N -1 3 290.367 3.466 20 0 CGADHM C[C@@H](CCC(C)(C)C)C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000348874566 379094462 /nfs/dbraw/zinc/09/44/62/379094462.db2.gz INXAVKOLJHDEOV-JTQLQIEISA-N -1 3 290.367 3.466 20 0 CGADHM C[C@H](CCCC(=O)[O-])NCc1cc(Cl)cc2c1OCC2 ZINC000277259873 379111558 /nfs/dbraw/zinc/11/15/58/379111558.db2.gz KOOWAASWJQQGOH-SNVBAGLBSA-N -1 3 297.782 3.008 20 0 CGADHM CC(C)C[C@@H](NC(=O)c1csc(=O)[n-]1)c1ccccc1 ZINC000348942607 379119460 /nfs/dbraw/zinc/11/94/60/379119460.db2.gz UDQFDSCWADEMJR-GFCCVEGCSA-N -1 3 290.388 3.366 20 0 CGADHM C[C@H](CCCNCc1c(F)cccc1Cl)C(=O)[O-] ZINC000277470062 379166959 /nfs/dbraw/zinc/16/69/59/379166959.db2.gz WASSDULQSOLJMU-SECBINFHSA-N -1 3 273.735 3.070 20 0 CGADHM CC(C)Cn1ccnc1NC(=O)c1cc([O-])ccc1Cl ZINC000278894556 194199638 /nfs/dbraw/zinc/19/96/38/194199638.db2.gz PCSBYGJPXWCVAR-UHFFFAOYSA-N -1 3 293.754 3.150 20 0 CGADHM Cc1nc([C@@H](C)NCc2cc([O-])cc(F)c2)cs1 ZINC000349562670 379306663 /nfs/dbraw/zinc/30/66/63/379306663.db2.gz FBRGDQGKVXURHC-MRVPVSSYSA-N -1 3 266.341 3.147 20 0 CGADHM [O-]c1cc(F)cc(CNCc2cc3ccccc3[nH]2)c1 ZINC000349571594 379307849 /nfs/dbraw/zinc/30/78/49/379307849.db2.gz WBSPQYFJSWUNQS-UHFFFAOYSA-N -1 3 270.307 3.302 20 0 CGADHM c1[n-][nH]c2ncnc(=N[C@@H](CC3CCC3)c3ccccc3)c1-2 ZINC000349579706 379310290 /nfs/dbraw/zinc/31/02/90/379310290.db2.gz XNFWVOPQXSZJAF-HNNXBMFYSA-N -1 3 293.374 3.070 20 0 CGADHM CCOc1cc(CNCC(C)(C)F)cc(Cl)c1[O-] ZINC000639359022 379314826 /nfs/dbraw/zinc/31/48/26/379314826.db2.gz WZEGMMMGCAUGHS-UHFFFAOYSA-N -1 3 275.751 3.282 20 0 CGADHM CCN1C(=O)c2ccccc2N[C@H]1c1ccc([O-])cc1F ZINC000639410629 379368282 /nfs/dbraw/zinc/36/82/82/379368282.db2.gz VWOIHMRMTYCHFA-OAHLLOKOSA-N -1 3 286.306 3.118 20 0 CGADHM Cc1cccc(C(=O)N2CC[C@@](F)(c3ccccc3)C2)c1[O-] ZINC000374617232 379468349 /nfs/dbraw/zinc/46/83/49/379468349.db2.gz GDIJZAOOONNKMM-SFHVURJKSA-N -1 3 299.345 3.412 20 0 CGADHM CO[C@H]1CCC[C@H](CC(=O)Nc2ccc(C)cc2[O-])C1 ZINC000279630973 379475026 /nfs/dbraw/zinc/47/50/26/379475026.db2.gz KVWVNOXAOMLSOA-STQMWFEESA-N -1 3 277.364 3.234 20 0 CGADHM O=C(c1ccccc1[O-])N(CC1CC1)CC1CCC1 ZINC000280017824 379581939 /nfs/dbraw/zinc/58/19/39/379581939.db2.gz LOWFKQQRJJFTRV-UHFFFAOYSA-N -1 3 259.349 3.045 20 0 CGADHM C[C@@H]1CN(Cc2nc(=O)c3sccc3[n-]2)C(C)(C)C1 ZINC000266909782 190289772 /nfs/dbraw/zinc/28/97/72/190289772.db2.gz COFYHKODWDYCEF-VIFPVBQESA-N -1 3 277.393 3.017 20 0 CGADHM Cc1cc([N-]C(=O)[C@@H](C)Oc2ccc(Cl)cc2F)on1 ZINC000193133429 542269724 /nfs/dbraw/zinc/26/97/24/542269724.db2.gz XUMOBPCDIHPDFS-MRVPVSSYSA-N -1 3 298.701 3.182 20 0 CGADHM COc1cc(-c2noc(-c3cc(C)c(C)o3)n2)ccc1[O-] ZINC000350592736 379569543 /nfs/dbraw/zinc/56/95/43/379569543.db2.gz ZLXBKHQYZHJJMM-UHFFFAOYSA-N -1 3 286.287 3.328 20 0 CGADHM CC1(C)CN(C(=O)[N-]c2cnns2)c2cc(F)ccc21 ZINC000640026712 379694516 /nfs/dbraw/zinc/69/45/16/379694516.db2.gz OWZBRKPQMPYAPW-UHFFFAOYSA-N -1 3 292.339 3.007 20 0 CGADHM CO[C@H]1CCC[C@@H](Cc2nc(-c3ccc([O-])cc3)no2)C1 ZINC000280253293 379656967 /nfs/dbraw/zinc/65/69/67/379656967.db2.gz IZQQXINCPJZZGO-RISCZKNCSA-N -1 3 288.347 3.190 20 0 CGADHM C[C@H](CC(F)F)c1nc(-c2ccc([O-])cc2)no1 ZINC000351178636 379671452 /nfs/dbraw/zinc/67/14/52/379671452.db2.gz GQSRJDCOZUWKAT-SSDOTTSWSA-N -1 3 254.236 3.201 20 0 CGADHM CC[C@](C)(OC)C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000280646576 379754724 /nfs/dbraw/zinc/75/47/24/379754724.db2.gz DZAVXLQGSDIRRH-ZDUSSCGKSA-N -1 3 271.744 3.108 20 0 CGADHM Cc1noc([N-]C(=O)COc2c(C)cc(C)cc2C)c1C ZINC000267242147 190314870 /nfs/dbraw/zinc/31/48/70/190314870.db2.gz QUJWFXHJIJVJFI-UHFFFAOYSA-N -1 3 288.347 3.234 20 0 CGADHM Cc1cccc([O-])c1NC(=O)CCCC1CCOCC1 ZINC000282156186 379863340 /nfs/dbraw/zinc/86/33/40/379863340.db2.gz BUIKYFUTMHAPPD-UHFFFAOYSA-N -1 3 277.364 3.236 20 0 CGADHM Cc1nocc1[N-]C(=O)c1sc(C(C)C)nc1C ZINC000640490088 379813465 /nfs/dbraw/zinc/81/34/65/379813465.db2.gz RGZZOGGUCFTBDE-UHFFFAOYSA-N -1 3 265.338 3.124 20 0 CGADHM C[C@H]1CCC[C@H](C)N1CCNCc1c(F)ccc([O-])c1F ZINC000352467455 379827343 /nfs/dbraw/zinc/82/73/43/379827343.db2.gz KSLBWIZMJKUJCL-RYUDHWBXSA-N -1 3 298.377 3.023 20 0 CGADHM [O-]c1ccc(F)c(CNCC23CCC(CC2)C3)c1F ZINC000352715025 379919563 /nfs/dbraw/zinc/91/95/63/379919563.db2.gz NQVIWUAGBQGDJL-UHFFFAOYSA-N -1 3 267.319 3.340 20 0 CGADHM CCO[C@H](CC(=O)Nc1c(C)cccc1[O-])C(C)C ZINC000352646059 379888855 /nfs/dbraw/zinc/88/88/55/379888855.db2.gz SGGHJJKSTVXRNC-CYBMUJFWSA-N -1 3 265.353 3.090 20 0 CGADHM Cc1cc(C(=O)NC[C@H]2CCCC(F)(F)C2)ccc1[O-] ZINC000282294194 379891390 /nfs/dbraw/zinc/89/13/90/379891390.db2.gz RUQVFXDCMJHHJD-NSHDSACASA-N -1 3 283.318 3.256 20 0 CGADHM O=C(c1c([O-])cccc1O)N1CCC[C@@H](C2CCC2)CC1 ZINC000641233525 379969212 /nfs/dbraw/zinc/96/92/12/379969212.db2.gz GIPJCZXOKOTGQL-CYBMUJFWSA-N -1 3 289.375 3.140 20 0 CGADHM CC[C@@]1(C)CCN([C@H](C)c2ccc(C(=O)[O-])o2)C1 ZINC000399290224 379939782 /nfs/dbraw/zinc/93/97/82/379939782.db2.gz GSYYAETYEYFQOX-YGRLFVJLSA-N -1 3 251.326 3.161 20 0 CGADHM CCC(CC)(CC)[N-]S(=O)(=O)c1ccc(C)cc1F ZINC000404966579 379984687 /nfs/dbraw/zinc/98/46/87/379984687.db2.gz LUBVGIAVUDYXOG-UHFFFAOYSA-N -1 3 287.400 3.381 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CC[C@H](C)C[C@@H]2C)c(F)c1 ZINC000404891223 379984901 /nfs/dbraw/zinc/98/49/01/379984901.db2.gz YLASEMADTJMWIZ-VHRBIJSZSA-N -1 3 299.411 3.237 20 0 CGADHM C[C@H](CCC(C)(C)C)C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000352988859 380067535 /nfs/dbraw/zinc/06/75/35/380067535.db2.gz QIIXXLFNBZGXOA-DGCLKSJQSA-N -1 3 293.411 3.084 20 0 CGADHM CC(C)(C)c1ccc(C[N-]c2nnc(C(C)(C)O)o2)s1 ZINC000283970841 380111700 /nfs/dbraw/zinc/11/17/00/380111700.db2.gz OSWYMBNMQRJIHY-UHFFFAOYSA-N -1 3 295.408 3.268 20 0 CGADHM COc1cc(C(=O)N2[C@H](C)C[C@H]3CCCC[C@H]32)ccc1[O-] ZINC000268070874 190374436 /nfs/dbraw/zinc/37/44/36/190374436.db2.gz JUIJADSFEVWBFP-YRGRVCCFSA-N -1 3 289.375 3.194 20 0 CGADHM C[C@H]1CCN(Cc2cccc([O-])c2Cl)CCS1 ZINC000353202354 380165435 /nfs/dbraw/zinc/16/54/35/380165435.db2.gz PBTYNJWSYYPIRO-JTQLQIEISA-N -1 3 271.813 3.373 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2ccc(NC(C)=O)cc2)c1 ZINC000354140336 380342623 /nfs/dbraw/zinc/34/26/23/380342623.db2.gz IHYMOYHDPVJVKS-UHFFFAOYSA-N -1 3 298.342 3.165 20 0 CGADHM C[C@H](CC(=O)[O-])NCc1c(Cl)oc2ccccc21 ZINC000414637874 380348828 /nfs/dbraw/zinc/34/88/28/380348828.db2.gz NEYDDXWDHITTSB-MRVPVSSYSA-N -1 3 267.712 3.039 20 0 CGADHM C[C@@H](CC(=O)[O-])NCc1ccc(-c2ccc(F)cc2)o1 ZINC000414639289 380348992 /nfs/dbraw/zinc/34/89/92/380348992.db2.gz PQJUDNVMEAGBQT-JTQLQIEISA-N -1 3 277.295 3.039 20 0 CGADHM CCc1ccc(-c2ccc(CN3CC(C(=O)[O-])C3)o2)cc1 ZINC000414652176 380352355 /nfs/dbraw/zinc/35/23/55/380352355.db2.gz GIQAWGTXPKSQDJ-UHFFFAOYSA-N -1 3 285.343 3.025 20 0 CGADHM O=C(CCCC1CC1)N1CCCc2cccc([O-])c21 ZINC000644050303 380411401 /nfs/dbraw/zinc/41/14/01/380411401.db2.gz FASJVDZDKSSNAO-UHFFFAOYSA-N -1 3 259.349 3.252 20 0 CGADHM O=C(C[C@@H]1C[C@@H]1c1ccccc1)NCc1ccc([O-])c(F)c1 ZINC000354370439 380416040 /nfs/dbraw/zinc/41/60/40/380416040.db2.gz GNYWCSHDCNTBDR-LSDHHAIUSA-N -1 3 299.345 3.341 20 0 CGADHM Cc1cc(C(=O)N[C@@H]2C[C@H]2c2cccc(F)c2)ccc1[O-] ZINC000354372961 380417110 /nfs/dbraw/zinc/41/71/10/380417110.db2.gz QQVXQCSGHPJDBR-LSDHHAIUSA-N -1 3 285.318 3.126 20 0 CGADHM O=c1cc(CNc2cccc(Cl)c2)nc(C2CC2)[n-]1 ZINC000416999026 380558023 /nfs/dbraw/zinc/55/80/23/380558023.db2.gz XJMZPAWUBMCINO-UHFFFAOYSA-N -1 3 275.739 3.325 20 0 CGADHM CC[C@H](CNCc1c(F)cc(C)cc1Cl)CC(=O)[O-] ZINC000417570569 380641780 /nfs/dbraw/zinc/64/17/80/380641780.db2.gz SCHLDPQXRCUQKD-JTQLQIEISA-N -1 3 287.762 3.378 20 0 CGADHM CC(C)C[C@H](CCO)CNCc1cccc([O-])c1Cl ZINC000645159824 380597947 /nfs/dbraw/zinc/59/79/47/380597947.db2.gz UUAVGVPQOAHTTC-LBPRGKRZSA-N -1 3 285.815 3.180 20 0 CGADHM O=C(c1sccc1F)N1CCCc2cccc([O-])c21 ZINC000334447778 296311356 /nfs/dbraw/zinc/31/13/56/296311356.db2.gz NCXBMOBNMWOLAB-UHFFFAOYSA-N -1 3 277.320 3.186 20 0 CGADHM O=C([O-])[C@H](CC1CCC1)NCc1cccc(Cl)c1F ZINC000417714415 380670094 /nfs/dbraw/zinc/67/00/94/380670094.db2.gz ZSOHMLKXZPPBJU-LBPRGKRZSA-N -1 3 285.746 3.212 20 0 CGADHM [O-]c1cccnc1CNCc1cc(Cl)cc(Cl)c1 ZINC000355339705 380650307 /nfs/dbraw/zinc/65/03/07/380650307.db2.gz UZFBHKGQVRKYST-UHFFFAOYSA-N -1 3 283.158 3.384 20 0 CGADHM CC(C)(C)c1ccc(CN[C@@H]2C=C[C@@H](C(=O)[O-])C2)s1 ZINC000417623267 380655261 /nfs/dbraw/zinc/65/52/61/380655261.db2.gz PKNOAJKFVGPIMW-GHMZBOCLSA-N -1 3 279.405 3.165 20 0 CGADHM Cc1cc(C(F)(F)F)ccc1CN[C@@H]1C=C[C@@H](C(=O)[O-])C1 ZINC000417622456 380655331 /nfs/dbraw/zinc/65/53/31/380655331.db2.gz OITBCKADRGYYTL-ZWNOBZJWSA-N -1 3 299.292 3.133 20 0 CGADHM C[C@@H]1OCCN(Cc2cc([O-])cc(C(F)(F)F)c2)[C@H]1C ZINC000356128871 380792396 /nfs/dbraw/zinc/79/23/96/380792396.db2.gz ZCORTNATVGKYCF-UWVGGRQHSA-N -1 3 289.297 3.020 20 0 CGADHM CCC[C@H](C)[C@H]1CCCN1C(=O)c1cccc([O-])c1 ZINC000357442129 381161228 /nfs/dbraw/zinc/16/12/28/381161228.db2.gz ORBHDEDULCYULR-SWLSCSKDSA-N -1 3 261.365 3.433 20 0 CGADHM COc1cc(CC(=O)Nc2ccc([O-])cc2F)ccc1C ZINC000357557356 381209663 /nfs/dbraw/zinc/20/96/63/381209663.db2.gz YVWRRUNZZDFXHY-UHFFFAOYSA-N -1 3 289.306 3.030 20 0 CGADHM [O-]c1ccc(F)c(CNc2cnc3ccccc3n2)c1F ZINC000357703860 381257710 /nfs/dbraw/zinc/25/77/10/381257710.db2.gz DEXISFBOYJAWSX-UHFFFAOYSA-N -1 3 287.269 3.226 20 0 CGADHM CC[C@@H](C(=O)Nc1nc(C)ccc1[O-])c1ccc(F)cc1 ZINC000359953076 381385410 /nfs/dbraw/zinc/38/54/10/381385410.db2.gz SWWCGIHMMNFRCA-CYBMUJFWSA-N -1 3 288.322 3.367 20 0 CGADHM Cc1cc(NC(=O)c2cc3cc(Cl)sc3[n-]2)n(C)n1 ZINC000362561627 382056631 /nfs/dbraw/zinc/05/66/31/382056631.db2.gz QFRYVKMIYNHIGZ-UHFFFAOYSA-N -1 3 294.767 3.177 20 0 CGADHM CC[C@H](NC(=O)c1csc(=O)[n-]1)c1ccc(Cl)cc1 ZINC000348973300 218784580 /nfs/dbraw/zinc/78/45/80/218784580.db2.gz UKPUGVXVNLPGFW-JTQLQIEISA-N -1 3 296.779 3.383 20 0 CGADHM O=C(N[C@H]1CC[C@H](F)C1)c1cc([O-])ccc1C(F)(F)F ZINC000335315638 208174774 /nfs/dbraw/zinc/17/47/74/208174774.db2.gz HIYRWRSYFYVPTO-YUMQZZPRSA-N -1 3 291.244 3.031 20 0 CGADHM C[C@@H]1CCCC[C@H]1OCc1nc2ccc([O-])cc2c(=O)[nH]1 ZINC000272273000 542367017 /nfs/dbraw/zinc/36/70/17/542367017.db2.gz YQBOJZRMOSBGFG-QMTHXVAHSA-N -1 3 288.347 3.136 20 0 CGADHM O=C(c1cc([O-])ccc1Cl)N1CCC[C@H]1c1ccc[nH]1 ZINC000289412088 197334659 /nfs/dbraw/zinc/33/46/59/197334659.db2.gz BFJDPTXLJQFISM-AWEZNQCLSA-N -1 3 290.750 3.351 20 0 CGADHM C[C@@H]1C[C@@H](c2ccccc2)N(C(=O)c2ccc(O)cc2[O-])C1 ZINC000286539783 542394563 /nfs/dbraw/zinc/39/45/63/542394563.db2.gz IRPOZDFZHVQARF-WBMJQRKESA-N -1 3 297.354 3.321 20 0 CGADHM O=c1[nH]c([C@@H]2CCCC(F)(F)C2)nc2ccc([O-])cc12 ZINC000287222165 542395838 /nfs/dbraw/zinc/39/58/38/542395838.db2.gz NKXSRZMEKHWSHE-MRVPVSSYSA-N -1 3 280.274 3.334 20 0 CGADHM C[C@@H]([N-]C(=O)C(C)(F)F)c1cccc(OC(F)F)c1 ZINC000288576677 197117450 /nfs/dbraw/zinc/11/74/50/197117450.db2.gz NLVXGNWOWRJOKH-SSDOTTSWSA-N -1 3 279.233 3.120 20 0 CGADHM C[C@@H]1CCCN1C(=O)c1cc([O-])ccc1C(F)(F)F ZINC000280235636 296405005 /nfs/dbraw/zinc/40/50/05/296405005.db2.gz SRRPUERUIDXMOP-MRVPVSSYSA-N -1 3 273.254 3.036 20 0 CGADHM CC(C)(C)CCCN1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000312151367 542432974 /nfs/dbraw/zinc/43/29/74/542432974.db2.gz AZEPMNAYOYIWBG-HNNXBMFYSA-N -1 3 275.392 3.497 20 0 CGADHM CC[C@H](C)[C@H](C)[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000533693640 288391564 /nfs/dbraw/zinc/39/15/64/288391564.db2.gz JTAQVYMDCBKGEN-IUCAKERBSA-N -1 3 293.791 3.192 20 0 CGADHM CN(C(=O)c1cc([O-])c2ccccc2c1)c1cccnc1 ZINC000349856310 542527456 /nfs/dbraw/zinc/52/74/56/542527456.db2.gz ROASASMWRYKKOW-UHFFFAOYSA-N -1 3 278.311 3.217 20 0 CGADHM CC1(CNC(=O)c2cc([O-])c3ccccc3c2)CCC1 ZINC000350180241 542530724 /nfs/dbraw/zinc/53/07/24/542530724.db2.gz DKEBLDPFWHRQKM-UHFFFAOYSA-N -1 3 269.344 3.465 20 0 CGADHM CC[C@@]1(C)COCCN1C(=O)c1cc([O-])c2ccccc2c1 ZINC000350808681 542536254 /nfs/dbraw/zinc/53/62/54/542536254.db2.gz ZLIZYDLJEWCKFC-SFHVURJKSA-N -1 3 299.370 3.187 20 0 CGADHM O=C(N[C@@H]1CC=CCC1)c1cc([O-])c2ccccc2c1 ZINC000354368371 542562644 /nfs/dbraw/zinc/56/26/44/542562644.db2.gz OECPIZUZWLCZOA-CQSZACIVSA-N -1 3 267.328 3.384 20 0 CGADHM CC[C@H](NC(=O)c1cc([O-])c2ccccc2c1)[C@@H]1CCCO1 ZINC000355266476 542566622 /nfs/dbraw/zinc/56/66/22/542566622.db2.gz NGTKVIPJRSJKIO-RDJZCZTQSA-N -1 3 299.370 3.233 20 0 CGADHM C[C@H](NC(=O)c1cc([O-])c2ccccc2c1)c1ccon1 ZINC000355585843 542567625 /nfs/dbraw/zinc/56/76/25/542567625.db2.gz HSMYJKZFEFIXOQ-JTQLQIEISA-N -1 3 282.299 3.024 20 0 CGADHM O=C([N-]c1nc2ccsc2s1)c1cc(C2CC2)no1 ZINC000281674361 195331108 /nfs/dbraw/zinc/33/11/08/195331108.db2.gz LUYOUMGWQQWBAD-UHFFFAOYSA-N -1 3 291.357 3.476 20 0 CGADHM [O-]c1cc(F)cc(CN[C@H]2CCc3c2cccc3F)c1 ZINC000274382072 285381299 /nfs/dbraw/zinc/38/12/99/285381299.db2.gz AKVIVYNGZLBFIY-INIZCTEOSA-N -1 3 275.298 3.448 20 0 CGADHM COc1ccc(C(=O)N2CC[C@@]3(CC[C@H](C)C3)C2)c([O-])c1 ZINC000368055652 533312054 /nfs/dbraw/zinc/31/20/54/533312054.db2.gz FVNWIVZJVHDDIN-YVEFUNNKSA-N -1 3 289.375 3.053 20 0 CGADHM COc1ccc(CC(C)(C)NC(=O)c2cccc([O-])c2)cc1 ZINC000189061903 533454254 /nfs/dbraw/zinc/45/42/54/533454254.db2.gz JPVWNFXCCZINOM-UHFFFAOYSA-N -1 3 299.370 3.152 20 0 CGADHM COc1cccc(C(=O)N[C@@H]2CC[C@H]3CCC[C@@H]3C2)c1[O-] ZINC000436563583 533415991 /nfs/dbraw/zinc/41/59/91/533415991.db2.gz HTAYNQMWDCEOEF-JHJVBQTASA-N -1 3 289.375 3.099 20 0 CGADHM C[C@@H](CC(F)F)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000411581016 533490281 /nfs/dbraw/zinc/49/02/81/533490281.db2.gz FGGOLVMJEBGGMU-LURJTMIESA-N -1 3 263.671 3.275 20 0 CGADHM COc1cccc(C[C@H](C)NC(=O)c2cc(C)ccc2[O-])c1 ZINC000436550257 533546525 /nfs/dbraw/zinc/54/65/25/533546525.db2.gz SAPRGGCLJRILPW-ZDUSSCGKSA-N -1 3 299.370 3.070 20 0 CGADHM COc1cccc(C[C@H](C)NC(=O)c2ccc([O-])c(C)c2)c1 ZINC000436937724 533546643 /nfs/dbraw/zinc/54/66/43/533546643.db2.gz RCCWYCWGMNUYRB-ZDUSSCGKSA-N -1 3 299.370 3.070 20 0 CGADHM Cc1ccc(C(=O)Nc2ccc(Cl)cc2[O-])c(O)c1 ZINC000436734553 533606971 /nfs/dbraw/zinc/60/69/71/533606971.db2.gz APKGEVCEGARWEN-UHFFFAOYSA-N -1 3 277.707 3.312 20 0 CGADHM Cc1ccc(C(=O)Nc2ccc(Cl)cc2O)c([O-])c1 ZINC000436734553 533606976 /nfs/dbraw/zinc/60/69/76/533606976.db2.gz APKGEVCEGARWEN-UHFFFAOYSA-N -1 3 277.707 3.312 20 0 CGADHM COc1cc(C)cc(C(=O)Nc2cc(C)cc(F)c2)c1[O-] ZINC000436609722 533624033 /nfs/dbraw/zinc/62/40/33/533624033.db2.gz WBLIJYGMIWKOST-UHFFFAOYSA-N -1 3 289.306 3.409 20 0 CGADHM CC[C@@H]1CC[C@@H](C)N(Cc2cc(C)c(C(=O)[O-])o2)C1 ZINC000382068057 542599343 /nfs/dbraw/zinc/59/93/43/542599343.db2.gz DVUNFSVVGPONEB-VXGBXAGGSA-N -1 3 265.353 3.297 20 0 CGADHM CCC1CCN(C(=O)c2ccc(C)c(C)c2[O-])CC1 ZINC000048737653 392010746 /nfs/dbraw/zinc/01/07/46/392010746.db2.gz FYESOANOAGYQQS-UHFFFAOYSA-N -1 3 261.365 3.271 20 0 CGADHM COc1ccc([O-])c(C(=O)N[C@@H](C)CCCC(C)C)c1 ZINC000051770412 392074680 /nfs/dbraw/zinc/07/46/80/392074680.db2.gz BVPBNZYMYIOKSW-LBPRGKRZSA-N -1 3 279.380 3.345 20 0 CGADHM CCN(C(=O)c1cc(OC)ccc1[O-])c1ccc(F)cc1 ZINC000052077022 392076537 /nfs/dbraw/zinc/07/65/37/392076537.db2.gz UANBAVIPGJHAFS-UHFFFAOYSA-N -1 3 289.306 3.207 20 0 CGADHM COc1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2C)c([O-])c1 ZINC000055482051 392098737 /nfs/dbraw/zinc/09/87/37/392098737.db2.gz WAVNKLXARKFMLW-FZMZJTMJSA-N -1 3 277.364 3.052 20 0 CGADHM Cc1ccc(CNC(=O)c2cc(C)ccc2[O-])c(C)c1 ZINC000058689315 392115813 /nfs/dbraw/zinc/11/58/13/392115813.db2.gz CYRICOQUFRZLIG-UHFFFAOYSA-N -1 3 269.344 3.247 20 0 CGADHM O=C(Nc1ccccc1[O-])[C@H]1CCCC(F)(F)C1 ZINC000282024160 392273961 /nfs/dbraw/zinc/27/39/61/392273961.db2.gz KLZVTUWQHYCKQG-VIFPVBQESA-N -1 3 255.264 3.156 20 0 CGADHM Cc1ccc([O-])c(CN2CCc3cc(Cl)ccc3C2)n1 ZINC000361730607 392305488 /nfs/dbraw/zinc/30/54/88/392305488.db2.gz ZEUSUCBHHBCBFD-UHFFFAOYSA-N -1 3 288.778 3.307 20 0 CGADHM Cc1nc(C)c([C@@H](C)N(C)C(=O)c2ccccc2[O-])s1 ZINC000106710981 392307949 /nfs/dbraw/zinc/30/79/49/392307949.db2.gz SQSFDYQWRRHINK-SNVBAGLBSA-N -1 3 290.388 3.299 20 0 CGADHM O=c1[nH]c(-c2ccc(Cl)s2)nc2ccc([O-])cc12 ZINC000436923032 542658559 /nfs/dbraw/zinc/65/85/59/542658559.db2.gz APLLLPBDCLQPEF-UHFFFAOYSA-N -1 3 278.720 3.011 20 0 CGADHM COc1ccc(NC(=O)c2ccc(C(C)C)nc2)c([O-])c1 ZINC000443558851 542667186 /nfs/dbraw/zinc/66/71/86/542667186.db2.gz MDSMKDWJWSILNG-UHFFFAOYSA-N -1 3 286.331 3.172 20 0 CGADHM C[C@H](NC(=O)c1cc([O-])c2ccccc2c1)C(C)(F)F ZINC000452457261 542678410 /nfs/dbraw/zinc/67/84/10/542678410.db2.gz MQEGXJLYUUZENN-VIFPVBQESA-N -1 3 279.286 3.319 20 0 CGADHM O=C(c1ccccc1[O-])N(Cc1ccccc1)C1CC1 ZINC000123540643 392429523 /nfs/dbraw/zinc/42/95/23/392429523.db2.gz GOQFRLQAVPLDBK-UHFFFAOYSA-N -1 3 267.328 3.197 20 0 CGADHM CC[C@H](NCc1ccc(F)c(Cl)c1Cl)C(=O)[O-] ZINC000647466891 392728708 /nfs/dbraw/zinc/72/87/08/392728708.db2.gz JCDIBXGKBNVQJP-QMMMGPOBSA-N -1 3 280.126 3.085 20 0 CGADHM C[C@@H](CN1CCC(C)(C(=O)[O-])CC1)c1cc(F)cc(F)c1 ZINC000647464776 392728857 /nfs/dbraw/zinc/72/88/57/392728857.db2.gz HMDOKUJSFRSKHE-NSHDSACASA-N -1 3 297.345 3.255 20 0 CGADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)s1)C1CCCC1 ZINC000506245709 392717370 /nfs/dbraw/zinc/71/73/70/392717370.db2.gz ACMXHYJDAFMNGD-MRVPVSSYSA-N -1 3 293.841 3.259 20 0 CGADHM Cc1ccc([O-])c(C(=O)N[C@H]2CCc3cc(F)ccc32)c1 ZINC000511586126 392841660 /nfs/dbraw/zinc/84/16/60/392841660.db2.gz FNPXVKJUMLECDF-HNNXBMFYSA-N -1 3 285.318 3.257 20 0 CGADHM O=C(c1cc([O-])ccc1C(F)(F)F)N1C[C@@H]2CCC[C@H]2C1 ZINC000189498007 392805918 /nfs/dbraw/zinc/80/59/18/392805918.db2.gz JJIQHSDSMZAIPA-UWVGGRQHSA-N -1 3 299.292 3.283 20 0 CGADHM C[C@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)C1CCCCC1 ZINC000336344706 392849604 /nfs/dbraw/zinc/84/96/04/392849604.db2.gz PUAYSVYPDZUGSL-LBPRGKRZSA-N -1 3 298.386 3.227 20 0 CGADHM Cc1ccc(NC(=O)c2cc(F)cc3nccnc32)c([O-])c1 ZINC000193606706 392883193 /nfs/dbraw/zinc/88/31/93/392883193.db2.gz UESYQRJKTDTRHR-UHFFFAOYSA-N -1 3 297.289 3.035 20 0 CGADHM CCC(CC)(CC(=O)OC)NCc1cccc([O-])c1Cl ZINC000339292804 392953397 /nfs/dbraw/zinc/95/33/97/392953397.db2.gz FJZRTWXZMKUSAR-UHFFFAOYSA-N -1 3 299.798 3.257 20 0 CGADHM CC(C)c1cc(C(=O)NCCCCO)c([O-])c(C(C)C)c1 ZINC000195020502 392952518 /nfs/dbraw/zinc/95/25/18/392952518.db2.gz FSXRYXFADLODLI-UHFFFAOYSA-N -1 3 293.407 3.141 20 0 CGADHM CCc1ccc([O-])c(C(=O)N(C)Cc2ccccc2OC)c1 ZINC000195436393 392967207 /nfs/dbraw/zinc/96/72/07/392967207.db2.gz YCMYXJYJLOFINS-UHFFFAOYSA-N -1 3 299.370 3.235 20 0 CGADHM CCn1ncc2ccc(NC(=O)c3cc(C)ccc3[O-])cc21 ZINC000195743267 392974291 /nfs/dbraw/zinc/97/42/91/392974291.db2.gz DDARSPLISCYUOB-UHFFFAOYSA-N -1 3 295.342 3.323 20 0 CGADHM CC(C)(C)CCNC(=O)c1cc([O-])ccc1Cl ZINC000232491795 393027556 /nfs/dbraw/zinc/02/75/56/393027556.db2.gz CCRPWCGKBQPXNA-UHFFFAOYSA-N -1 3 255.745 3.212 20 0 CGADHM CCc1cccc(-c2nc([C@@H]3CCO[C@@H](C)C3)no2)c1[O-] ZINC000547213003 393099314 /nfs/dbraw/zinc/09/93/14/393099314.db2.gz LRPCXHGSSNOBCI-CMPLNLGQSA-N -1 3 288.347 3.287 20 0 CGADHM C[C@@H]1CCN(C(=O)CCc2cccnc2)c2c([O-])cccc21 ZINC000547366784 393110122 /nfs/dbraw/zinc/11/01/22/393110122.db2.gz ASNNNLYQOXLSAY-CYBMUJFWSA-N -1 3 296.370 3.260 20 0 CGADHM O=C([O-])[C@@H]1CCCN([C@@H]2CCc3c2cccc3Cl)C1 ZINC000263581422 393151994 /nfs/dbraw/zinc/15/19/94/393151994.db2.gz XDLRZLILCGYTHZ-QMTHXVAHSA-N -1 3 279.767 3.124 20 0 CGADHM C[C@@H]1CCN(C(=O)CCCc2ccc([O-])c(F)c2)C[C@H]1C ZINC000469823182 393218188 /nfs/dbraw/zinc/21/81/88/393218188.db2.gz UWLOWFZQUANWHU-CHWSQXEVSA-N -1 3 293.382 3.359 20 0 CGADHM CC[C@@H]1CC[C@@H](C(=O)N2CC[C@@H](C)c3cccc([O-])c32)O1 ZINC000274410109 393284971 /nfs/dbraw/zinc/28/49/71/393284971.db2.gz VHJQUVOGNQDECB-JMSVASOKSA-N -1 3 289.375 3.190 20 0 CGADHM O=C(CCCc1ccccn1)Nc1c([O-])cccc1Cl ZINC000646487757 393292875 /nfs/dbraw/zinc/29/28/75/393292875.db2.gz YWCQRUUGFOABSH-UHFFFAOYSA-N -1 3 290.750 3.402 20 0 CGADHM CCCCOc1ccc(CNCc2ncccc2[O-])cc1 ZINC000355293276 393296583 /nfs/dbraw/zinc/29/65/83/393296583.db2.gz QWZZPHYYOUNOCL-UHFFFAOYSA-N -1 3 286.375 3.256 20 0 CGADHM CCc1ccc(C(=O)N2C[C@H](C)[C@H](C)[C@H]2C)c([O-])c1 ZINC000416325569 393300058 /nfs/dbraw/zinc/30/00/58/393300058.db2.gz SSYSBUJNPCIADN-SDDRHHMPSA-N -1 3 261.365 3.071 20 0 CGADHM CCSCc1cc(C(=O)[N-]c2cccc(F)c2F)no1 ZINC000471777333 393303925 /nfs/dbraw/zinc/30/39/25/393303925.db2.gz ZXNYBDAQXVFXQX-UHFFFAOYSA-N -1 3 298.314 3.458 20 0 CGADHM CCN(C(=O)c1csc(=O)[n-]1)[C@@H](C)c1ccc(F)cc1 ZINC000471796225 393305555 /nfs/dbraw/zinc/30/55/55/393305555.db2.gz CUEPYCINUACEHV-VIFPVBQESA-N -1 3 294.351 3.211 20 0 CGADHM Cc1cccnc1NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000646585820 393307799 /nfs/dbraw/zinc/30/77/99/393307799.db2.gz WJSIDNSTVFMKLZ-UHFFFAOYSA-N -1 3 296.248 3.367 20 0 CGADHM O=C(Nc1ccccc1O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000646603170 393308430 /nfs/dbraw/zinc/30/84/30/393308430.db2.gz UWPHVFYWGMVTGW-UHFFFAOYSA-N -1 3 297.232 3.369 20 0 CGADHM Cc1cc(C(=O)Nc2ccnn2[C@H](C)C2CC2)ccc1[O-] ZINC000272437271 393261656 /nfs/dbraw/zinc/26/16/56/393261656.db2.gz MEQMVGBHQVSTJJ-LLVKDONJSA-N -1 3 285.347 3.120 20 0 CGADHM COC1(CCSCc2cc(=O)[n-]c(C3CC3)n2)CCC1 ZINC000419516019 393397915 /nfs/dbraw/zinc/39/79/15/393397915.db2.gz GJINKYHXALMDDU-UHFFFAOYSA-N -1 3 294.420 3.252 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)c1ccc(C(C)C)cn1 ZINC000649228800 393376420 /nfs/dbraw/zinc/37/64/20/393376420.db2.gz AMSVETNXHUSZTL-UHFFFAOYSA-N -1 3 286.379 3.034 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@H]1CC2CCC1CC2 ZINC000649229102 393377963 /nfs/dbraw/zinc/37/79/63/393377963.db2.gz MTYZNAJMHKFPHN-BPCQOVAHSA-N -1 3 275.396 3.028 20 0 CGADHM CCCC[C@@](C)(CO)NCc1cccc([O-])c1Cl ZINC000647240521 393406988 /nfs/dbraw/zinc/40/69/88/393406988.db2.gz YEIPLOSHLHRRBI-AWEZNQCLSA-N -1 3 271.788 3.076 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@H](C)c1cccs1 ZINC000649230960 393379034 /nfs/dbraw/zinc/37/90/34/393379034.db2.gz BIPZQIQMMIHRFG-SECBINFHSA-N -1 3 277.393 3.067 20 0 CGADHM CC[C@@H](Cc1ccccc1)C(=O)N=c1[nH][n-]c(C(C)C)c1C ZINC000649232087 393380545 /nfs/dbraw/zinc/38/05/45/393380545.db2.gz ROIZLZIXCRRSIJ-HNNXBMFYSA-N -1 3 299.418 3.471 20 0 CGADHM Cc1ccc([C@H](NCc2cccc3c2CCC3)C(=O)[O-])cc1 ZINC000649504992 393460626 /nfs/dbraw/zinc/46/06/26/393460626.db2.gz PGRNHPINMQXZJX-SFHVURJKSA-N -1 3 295.382 3.399 20 0 CGADHM Cc1ccc([O-])c(NC(=O)Cc2c(C)cccc2Cl)n1 ZINC000488926435 393562544 /nfs/dbraw/zinc/56/25/44/393562544.db2.gz SJWVRPDDASWKQE-UHFFFAOYSA-N -1 3 290.750 3.239 20 0 CGADHM CC=Cc1ccc(NC(=O)c2cc(F)cc3[n-]nnc32)cc1 ZINC000489944453 393622363 /nfs/dbraw/zinc/62/23/63/393622363.db2.gz FVEGKJYSQJLCBB-IHWYPQMZSA-N -1 3 296.305 3.382 20 0 CGADHM C/C=C\c1ccc(NC(=O)c2cc(F)cc3nn[n-]c32)cc1 ZINC000489944453 393622364 /nfs/dbraw/zinc/62/23/64/393622364.db2.gz FVEGKJYSQJLCBB-IHWYPQMZSA-N -1 3 296.305 3.382 20 0 CGADHM CC=Cc1ccc(NC(=O)c2cc(F)cc3n[n-]nc32)cc1 ZINC000489944453 393622366 /nfs/dbraw/zinc/62/23/66/393622366.db2.gz FVEGKJYSQJLCBB-IHWYPQMZSA-N -1 3 296.305 3.382 20 0 CGADHM Cc1ccc([O-])c(CN2CCC[C@H](C(F)(F)F)[C@H]2C)n1 ZINC000361141370 393683248 /nfs/dbraw/zinc/68/32/48/393683248.db2.gz NVJXJTLZIKAJRB-MNOVXSKESA-N -1 3 288.313 3.258 20 0 CGADHM CCCCN(C(=O)/C=C\c1cncc([O-])c1)[C@H](C)CC ZINC000492440519 393734900 /nfs/dbraw/zinc/73/49/00/393734900.db2.gz MCZFJOBWFSSJPD-MEJMFZKBSA-N -1 3 276.380 3.228 20 0 CGADHM CCN(Cc1ccc(C)cc1)C(=O)/C=C\c1cncc([O-])c1 ZINC000492518186 393748123 /nfs/dbraw/zinc/74/81/23/393748123.db2.gz GFJKQWCWZXGTJM-HJWRWDBZSA-N -1 3 296.370 3.158 20 0 CGADHM [O-]c1cc(F)cc(CN2CC(c3ccccc3F)C2)c1 ZINC000361236981 393708907 /nfs/dbraw/zinc/70/89/07/393708907.db2.gz HSYOZYWKSYONDK-UHFFFAOYSA-N -1 3 275.298 3.270 20 0 CGADHM COc1cccc(/C=C\C(=O)Nc2cccc([O-])c2F)c1 ZINC000492314479 393717906 /nfs/dbraw/zinc/71/79/06/393717906.db2.gz WGSZYRUFUQHPNV-HJWRWDBZSA-N -1 3 287.290 3.192 20 0 CGADHM Cc1cc(C(=O)N[C@H](CC(F)(F)F)C(C)C)ccc1[O-] ZINC000438618866 393728648 /nfs/dbraw/zinc/72/86/48/393728648.db2.gz LGYPSJHHORXFFB-LLVKDONJSA-N -1 3 289.297 3.407 20 0 CGADHM Cc1ccc(NC(=O)c2ccc(OC(C)C)cn2)c([O-])c1 ZINC000443924850 393777393 /nfs/dbraw/zinc/77/73/93/393777393.db2.gz SXMQJNCNPBSHEV-UHFFFAOYSA-N -1 3 286.331 3.135 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CCc3c2c(F)ccc3F)c1 ZINC000498953968 393788780 /nfs/dbraw/zinc/78/87/80/393788780.db2.gz FHBQRDXHAKLMJC-UHFFFAOYSA-N -1 3 289.281 3.182 20 0 CGADHM Cc1ccc([O-])c(C(=O)NC[C@@H]2CCCC(F)(F)C2)c1 ZINC000499514195 393799360 /nfs/dbraw/zinc/79/93/60/393799360.db2.gz IJSNLZOBKOTBMF-LLVKDONJSA-N -1 3 283.318 3.256 20 0 CGADHM Cc1cc(C(=O)N2CCc3cc(F)c(F)cc32)ccc1[O-] ZINC000499794247 393807623 /nfs/dbraw/zinc/80/76/23/393807623.db2.gz CMQYNHPUKNSCBQ-UHFFFAOYSA-N -1 3 289.281 3.182 20 0 CGADHM CCc1ccc([O-])c(C(=O)NCc2sccc2C)c1 ZINC000500775647 393837934 /nfs/dbraw/zinc/83/79/34/393837934.db2.gz WYAZSNSYIKWJME-UHFFFAOYSA-N -1 3 275.373 3.255 20 0 CGADHM Cc1cc(C)cc(-c2cc(=NC(=O)[C@@H](C)C(C)C)[nH][n-]2)c1 ZINC000500578260 393832979 /nfs/dbraw/zinc/83/29/79/393832979.db2.gz XZLTXCLULSXYGE-ZDUSSCGKSA-N -1 3 285.391 3.346 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2cc3n[nH]cc3c(C)c2)c1 ZINC000501867679 393863628 /nfs/dbraw/zinc/86/36/28/393863628.db2.gz PGGFOPSMTMRPRB-UHFFFAOYSA-N -1 3 281.315 3.138 20 0 CGADHM COC[C@@H](C)CC(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000501996008 393866531 /nfs/dbraw/zinc/86/65/31/393866531.db2.gz TXEYWTILZNLGKG-NSHDSACASA-N -1 3 279.380 3.301 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CC(CC)(CC)C2)c1 ZINC000504103596 393912228 /nfs/dbraw/zinc/91/22/28/393912228.db2.gz MFFOWMUQMWIUIF-UHFFFAOYSA-N -1 3 261.365 3.217 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)N[C@H]1C[C@@H]1C1CCCCC1 ZINC000449946216 393948676 /nfs/dbraw/zinc/94/86/76/393948676.db2.gz VQAQBWDYTKSLGZ-HIFRSBDPSA-N -1 3 291.366 3.159 20 0 CGADHM CCC[C@H]1CCCCN1C(=O)Cc1ccc([O-])c(F)c1 ZINC000450580565 394023178 /nfs/dbraw/zinc/02/31/78/394023178.db2.gz COWLIQWCIASXJG-ZDUSSCGKSA-N -1 3 279.355 3.255 20 0 CGADHM CC[C@@H]1C[C@H]1C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000450083384 393974301 /nfs/dbraw/zinc/97/43/01/393974301.db2.gz GKKMRRUPILKQPQ-VXNVDRBHSA-N -1 3 273.254 3.396 20 0 CGADHM COc1cc(C(=O)N(C(C)C)C2CC(C)(C)C2)ccc1[O-] ZINC000457076938 394316807 /nfs/dbraw/zinc/31/68/07/394316807.db2.gz QIROYSCINFCUCV-UHFFFAOYSA-N -1 3 291.391 3.440 20 0 CGADHM CC[C@]1(C(C)C)C[C@H]1NC(=O)c1c[n-]c2ccccc2c1=O ZINC000457261688 394338064 /nfs/dbraw/zinc/33/80/64/394338064.db2.gz CZZYQFCJYSOEFR-CRAIPNDOSA-N -1 3 298.386 3.083 20 0 CGADHM CCCN(C(=O)c1cc(SC)ccc1[O-])C1CC1 ZINC000668230269 542994389 /nfs/dbraw/zinc/99/43/89/542994389.db2.gz KVFUWSKGNMWIRR-UHFFFAOYSA-N -1 3 265.378 3.129 20 0 CGADHM COc1ccc([O-])c(C(=O)N(C)C(C)(C)c2ccccc2)c1 ZINC000671586373 543172108 /nfs/dbraw/zinc/17/21/08/543172108.db2.gz USFYGGWIHRSHAI-UHFFFAOYSA-N -1 3 299.370 3.408 20 0 CGADHM COc1ccc(C(=O)N(C)C(C)(C)c2ccccc2)c([O-])c1 ZINC000671585494 543172202 /nfs/dbraw/zinc/17/22/02/543172202.db2.gz KGPAFXHSURKQRH-UHFFFAOYSA-N -1 3 299.370 3.408 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2nccc3ccccc32)n1 ZINC000672776487 543227264 /nfs/dbraw/zinc/22/72/64/543227264.db2.gz OKTGYSBJKDVVMG-VOTSOKGWSA-N -1 3 263.300 3.209 20 0 CGADHM CCc1cnc([N-]C(=O)c2c(C)noc2C(F)F)s1 ZINC000673683069 543250667 /nfs/dbraw/zinc/25/06/67/543250667.db2.gz ZYUBSZKIQKZZII-UHFFFAOYSA-N -1 3 287.291 3.192 20 0 CGADHM [O-]c1ccc(-c2noc(C3(C(F)(F)F)CC3)n2)cc1 ZINC000673929943 543259445 /nfs/dbraw/zinc/25/94/45/543259445.db2.gz HZTPLPRGQAVVMH-UHFFFAOYSA-N -1 3 270.210 3.036 20 0 CGADHM CCc1ccccc1CC(=O)Nc1ccc([O-])cc1F ZINC000442668062 397703498 /nfs/dbraw/zinc/70/34/98/397703498.db2.gz BKTIMQZCCCAMOG-UHFFFAOYSA-N -1 3 273.307 3.275 20 0 CGADHM C[C@@H]1CC[C@H](C(=O)[O-])N1Cc1cccc(C(F)(F)F)c1 ZINC000650503684 397859761 /nfs/dbraw/zinc/85/97/61/397859761.db2.gz TVVYKWGWYDOAOS-BXKDBHETSA-N -1 3 287.281 3.143 20 0 CGADHM c1cc(-c2noc([C@H]3C[C@@H]3C3CCCC3)n2)cc2n[n-]nc12 ZINC000650606344 397881014 /nfs/dbraw/zinc/88/10/14/397881014.db2.gz CVASBAUKPANQJE-NEPJUHHUSA-N -1 3 295.346 3.302 20 0 CGADHM CCc1cc(=O)[n-]c(CN2CCc3ccccc3[C@H]2CC)n1 ZINC000675183039 543319544 /nfs/dbraw/zinc/31/95/44/543319544.db2.gz NDVPMUVNTSHVLU-MRXNPFEDSA-N -1 3 297.402 3.254 20 0 CGADHM O=C(N[C@H]1CCC(F)(F)C1)c1cc2c(cc1[O-])CCCC2 ZINC000675709039 543356836 /nfs/dbraw/zinc/35/68/36/543356836.db2.gz QLYXFOFXFFPRCX-LBPRGKRZSA-N -1 3 295.329 3.189 20 0 CGADHM CSc1cc(NC(=O)c2ccc(C)cc2[O-])ccn1 ZINC000678031909 543477255 /nfs/dbraw/zinc/47/72/55/543477255.db2.gz PRACCMBTMIKPKD-UHFFFAOYSA-N -1 3 274.345 3.070 20 0 CGADHM Cc1nc(CN(C)C(=O)c2ccc(C)c(C)c2[O-])cs1 ZINC000049411991 286924009 /nfs/dbraw/zinc/92/40/09/286924009.db2.gz GUCYIEWAKASEDA-UHFFFAOYSA-N -1 3 290.388 3.046 20 0 CGADHM Cc1cccc(N(C)C(=O)c2ccc(C)cc2[O-])c1 ZINC000049990917 286930428 /nfs/dbraw/zinc/93/04/28/286930428.db2.gz VEJZWIWBKUGPEG-UHFFFAOYSA-N -1 3 255.317 3.286 20 0 CGADHM CC[C@H]1CCC[C@@H](NC(=O)c2cc(OC)ccc2[O-])C1 ZINC000068604192 286979686 /nfs/dbraw/zinc/97/96/86/286979686.db2.gz IGFHMFWUQVAMDY-NWDGAFQWSA-N -1 3 277.364 3.099 20 0 CGADHM CC[C@@H]1CCCN(C(=O)c2cccc(C)c2[O-])CC1 ZINC000079053020 287053319 /nfs/dbraw/zinc/05/33/19/287053319.db2.gz AGFSULACQJHHDB-CYBMUJFWSA-N -1 3 261.365 3.353 20 0 CGADHM CC[C@@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000081458924 287073252 /nfs/dbraw/zinc/07/32/52/287073252.db2.gz VHCGJTARTYIXNW-SSDOTTSWSA-N -1 3 261.243 3.396 20 0 CGADHM CCc1onc(C)c1[N-]C(=O)c1cccc(F)c1F ZINC000089394310 287089082 /nfs/dbraw/zinc/08/90/82/287089082.db2.gz GAGCBMUNQYWMBP-UHFFFAOYSA-N -1 3 266.247 3.076 20 0 CGADHM Cc1ccc(NC(=O)CCO[C@@H](C)CC(C)C)c([O-])c1 ZINC000088239503 287086125 /nfs/dbraw/zinc/08/61/25/287086125.db2.gz HAQLCLOSQLXXGV-ZDUSSCGKSA-N -1 3 279.380 3.480 20 0 CGADHM O=C(NCc1ccc(Cl)s1)c1cccc([O-])c1 ZINC000071309336 165068124 /nfs/dbraw/zinc/06/81/24/165068124.db2.gz NPESPHYPAMTGTR-UHFFFAOYSA-N -1 3 267.737 3.037 20 0 CGADHM Cc1ccc(NC(=O)c2ccncc2Cl)c([O-])c1 ZINC000073848532 165084629 /nfs/dbraw/zinc/08/46/29/165084629.db2.gz HJYZAFYIBZNNLO-UHFFFAOYSA-N -1 3 262.696 3.001 20 0 CGADHM CCc1ccc([O-])c(C(=O)N[C@H](C)c2ncc(C)s2)c1 ZINC000078244735 165129773 /nfs/dbraw/zinc/12/97/73/165129773.db2.gz VEIFGEYVYVHLHH-SNVBAGLBSA-N -1 3 290.388 3.211 20 0 CGADHM CC(C)n1cccc1C(=O)Nc1ccc([O-])cc1F ZINC000085203786 165179004 /nfs/dbraw/zinc/17/90/04/165179004.db2.gz CERLHWASGQIBSI-UHFFFAOYSA-N -1 3 262.284 3.166 20 0 CGADHM O=C(Nc1ccc([O-])cc1F)c1ccc(Cl)o1 ZINC000085203815 165179166 /nfs/dbraw/zinc/17/91/66/165179166.db2.gz YLCRCSWQVNLVPX-UHFFFAOYSA-N -1 3 255.632 3.030 20 0 CGADHM CC[C@@H]1CC[C@H](C)N1C(=O)c1ccc(C)c(C)c1[O-] ZINC000436769744 287118560 /nfs/dbraw/zinc/11/85/60/287118560.db2.gz ZTVBWOJRZJQQHR-WCQYABFASA-N -1 3 261.365 3.412 20 0 CGADHM Cc1cccc2[nH]cc(CCNC(=O)c3cccc([O-])c3)c21 ZINC000182375485 165698937 /nfs/dbraw/zinc/69/89/37/165698937.db2.gz FAEYSDSPILSGNP-UHFFFAOYSA-N -1 3 294.354 3.154 20 0 CGADHM Cc1cccc(-c2nc(Cc3ccc(F)cc3)no2)c1[O-] ZINC000111687517 287136057 /nfs/dbraw/zinc/13/60/57/287136057.db2.gz OVZYFCFTVLLDQS-UHFFFAOYSA-N -1 3 284.290 3.481 20 0 CGADHM [O-]c1ccccc1-c1nc(Cc2ccccc2F)no1 ZINC000111689138 287136666 /nfs/dbraw/zinc/13/66/66/287136666.db2.gz FEPAOEVKTXXWPF-UHFFFAOYSA-N -1 3 270.263 3.172 20 0 CGADHM Cc1cccnc1[C@H](NC(=O)c1ccccc1[O-])C(C)C ZINC000115113027 287153072 /nfs/dbraw/zinc/15/30/72/287153072.db2.gz CBEUEDCVSDUQSK-OAHLLOKOSA-N -1 3 284.359 3.223 20 0 CGADHM CCc1cc(=O)[n-]c(CNC(C)(C)CCc2ccccc2)n1 ZINC000121641163 287201451 /nfs/dbraw/zinc/20/14/51/287201451.db2.gz ASEWVUPOKRCZPA-UHFFFAOYSA-N -1 3 299.418 3.246 20 0 CGADHM Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000007381938 170281472 /nfs/dbraw/zinc/28/14/72/170281472.db2.gz HLZQGBVEOCVIHO-UHFFFAOYSA-N -1 3 283.299 3.074 20 0 CGADHM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C1CC1 ZINC000007702990 170298141 /nfs/dbraw/zinc/29/81/41/170298141.db2.gz DZFXBBKPZDFVGK-ZETCQYMHSA-N -1 3 294.203 3.070 20 0 CGADHM C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)C1CC1 ZINC000007703061 170298228 /nfs/dbraw/zinc/29/82/28/170298228.db2.gz XMKZXUDSUNWQFV-ZETCQYMHSA-N -1 3 294.203 3.070 20 0 CGADHM Cc1ccc(NC(=O)/C=C/c2cccs2)c([O-])c1 ZINC000008378850 170333916 /nfs/dbraw/zinc/33/39/16/170333916.db2.gz ABOHPMHSNCFTDV-FNORWQNLSA-N -1 3 259.330 3.414 20 0 CGADHM [O-]c1cccc(/C=C/c2nc(CC3CCC3)no2)c1 ZINC000284960504 196165282 /nfs/dbraw/zinc/16/52/82/196165282.db2.gz AKTYNWJWNASZMJ-BQYQJAHWSA-N -1 3 256.305 3.288 20 0 CGADHM O=C(Nc1cc(Br)ccc1[O-])[C@@H]1C[C@H]1C1CC1 ZINC000126541802 287267360 /nfs/dbraw/zinc/26/73/60/287267360.db2.gz XFYJXWUZBFIFTL-VHSXEESVSA-N -1 3 296.164 3.139 20 0 CGADHM Cc1ccc(C(=O)N(C)CC2CCCC2)c([O-])c1C ZINC000126762542 287272780 /nfs/dbraw/zinc/27/27/80/287272780.db2.gz XNYFPNLXMYJXLV-UHFFFAOYSA-N -1 3 261.365 3.271 20 0 CGADHM CC(C)CO[N-]C(=O)Nc1ccc(Br)cc1 ZINC000039793156 174172983 /nfs/dbraw/zinc/17/29/83/174172983.db2.gz YBQTULPPFKOWJI-UHFFFAOYSA-N -1 3 287.157 3.158 20 0 CGADHM Cc1ccc(CC(=O)Nc2cccc([O-])c2F)s1 ZINC000128405688 287310272 /nfs/dbraw/zinc/31/02/72/287310272.db2.gz JOSRAPJNVGPKMR-UHFFFAOYSA-N -1 3 265.309 3.082 20 0 CGADHM CCOc1cc(C(=O)Nc2cccc([O-])c2F)ccc1C ZINC000128374672 287309643 /nfs/dbraw/zinc/30/96/43/287309643.db2.gz NJAPYUAZHMTELZ-UHFFFAOYSA-N -1 3 289.306 3.491 20 0 CGADHM O=C(Nc1cccc([O-])c1F)c1cc2ccccn2c1 ZINC000129146778 287325197 /nfs/dbraw/zinc/32/51/97/287325197.db2.gz URQCSRIOEOBKPB-UHFFFAOYSA-N -1 3 270.263 3.036 20 0 CGADHM CC(C)c1cc(NC(=O)c2c[n-]nc2-c2ccccc2)n[nH]1 ZINC000078480432 177344906 /nfs/dbraw/zinc/34/49/06/177344906.db2.gz FLBWOHBGORWLSZ-UHFFFAOYSA-N -1 3 295.346 3.176 20 0 CGADHM C[C@H]1CCC[C@@H](C(=O)Nc2cccc([O-])c2F)C1 ZINC000129366663 287329615 /nfs/dbraw/zinc/32/96/15/287329615.db2.gz LWIIGIFONRMCPT-VHSXEESVSA-N -1 3 251.301 3.296 20 0 CGADHM Cc1ccc(CSc2n[n-]c(-c3ccccn3)n2)cc1 ZINC000078768178 177384415 /nfs/dbraw/zinc/38/44/15/177384415.db2.gz IDWCAJOXSLGPQP-UHFFFAOYSA-N -1 3 282.372 3.467 20 0 CGADHM C[C@H](c1ccc(Cl)cc1)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000311409300 416532634 /nfs/dbraw/zinc/53/26/34/416532634.db2.gz YCRMGDNUFXSRRO-GYSYKLTISA-N -1 3 281.783 3.444 20 0 CGADHM C[C@@H]1C[C@H]1C(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000125342073 416508438 /nfs/dbraw/zinc/50/84/38/416508438.db2.gz ADVCBBYBSIOGHE-HTRCEHHLSA-N -1 3 259.227 3.006 20 0 CGADHM C[C@H]1C[C@H]1C(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000125342301 416508915 /nfs/dbraw/zinc/50/89/15/416508915.db2.gz ADVCBBYBSIOGHE-POYBYMJQSA-N -1 3 259.227 3.006 20 0 CGADHM CCCn1c2ccccc2nc1NCc1nc(C)ccc1[O-] ZINC000679117389 543592120 /nfs/dbraw/zinc/59/21/20/543592120.db2.gz GNPPQCWPJYQARM-UHFFFAOYSA-N -1 3 296.374 3.467 20 0 CGADHM O=C(Cc1ccc(Cl)cc1)Nc1cccc([O-])c1F ZINC000129636019 287336344 /nfs/dbraw/zinc/33/63/44/287336344.db2.gz VNNNUMAQKIFOEO-UHFFFAOYSA-N -1 3 279.698 3.366 20 0 CGADHM COc1ccc(-c2noc(-c3ccccc3[O-])n2)cc1C ZINC000130123777 287345343 /nfs/dbraw/zinc/34/53/43/287345343.db2.gz TVWWNSNEUCRCLS-UHFFFAOYSA-N -1 3 282.299 3.426 20 0 CGADHM Cc1ccccc1CC1CN(C(=O)c2cccc([O-])c2)C1 ZINC000679637758 543652562 /nfs/dbraw/zinc/65/25/62/543652562.db2.gz OCLPSOGOLXQVSW-UHFFFAOYSA-N -1 3 281.355 3.015 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-]c2cc(O)c(C)cc2C)cc1 ZINC000680809509 543735911 /nfs/dbraw/zinc/73/59/11/543735911.db2.gz HHIMKPHIHUZFBQ-UHFFFAOYSA-N -1 3 291.372 3.118 20 0 CGADHM CC(=O)Nc1cc(NC(=O)c2cc(C)ccc2[O-])ccc1C ZINC000131028282 287369000 /nfs/dbraw/zinc/36/90/00/287369000.db2.gz TTYGYJSXBRZAOY-UHFFFAOYSA-N -1 3 298.342 3.220 20 0 CGADHM CCc1ccc(/C=C/C(=O)Nc2ccc([O-])cc2F)o1 ZINC000131662607 287386584 /nfs/dbraw/zinc/38/65/84/287386584.db2.gz BAPKUGCYTMSBQG-SOFGYWHQSA-N -1 3 275.279 3.339 20 0 CGADHM CSc1ccncc1[N-]C(=O)c1ccoc1Cl ZINC000683399241 543912504 /nfs/dbraw/zinc/91/25/04/543912504.db2.gz VSXSCHLSIDUPJU-UHFFFAOYSA-N -1 3 268.725 3.302 20 0 CGADHM Cc1cc(C(=O)Nc2ncccc2[O-])c(Cl)cc1F ZINC000132048916 287395430 /nfs/dbraw/zinc/39/54/30/287395430.db2.gz JJVLZWRCEXAKGV-UHFFFAOYSA-N -1 3 280.686 3.140 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])[C@H]1Cc2ccc(F)cc21 ZINC000684466082 544005137 /nfs/dbraw/zinc/00/51/37/544005137.db2.gz XFRDVPFIHXLOJY-LBPRGKRZSA-N -1 3 291.709 3.463 20 0 CGADHM CC(C)C1CN(C(=O)c2cc([O-])ccc2C(F)(F)F)C1 ZINC000684467946 544005143 /nfs/dbraw/zinc/00/51/43/544005143.db2.gz UKXFANYEDWGNAK-UHFFFAOYSA-N -1 3 287.281 3.139 20 0 CGADHM Cc1cccc(C(=O)N2C[C@@H](C)CCC[C@@H]2C)c1[O-] ZINC000134049339 287434518 /nfs/dbraw/zinc/43/45/18/287434518.db2.gz YQGJVWMEGJIOHF-AAEUAGOBSA-N -1 3 261.365 3.351 20 0 CGADHM O=C(/C=C/c1ccc(Cl)s1)[N-]OCC(F)(F)F ZINC000135213004 287463706 /nfs/dbraw/zinc/46/37/06/287463706.db2.gz XGYVAKKRXYQAFD-DUXPYHPUSA-N -1 3 285.674 3.025 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)N[C@H](c2ccccc2)C2CC2)n1 ZINC000192767144 227285087 /nfs/dbraw/zinc/28/50/87/227285087.db2.gz OIOFKCBTDHMLAU-MLGOLLRUSA-N -1 3 283.375 3.293 20 0 CGADHM C[C@H](CN(Cc1cc(Cl)ccc1F)C1CC1)C(=O)[O-] ZINC000652489317 418975465 /nfs/dbraw/zinc/97/54/65/418975465.db2.gz FPIRSPJPDSABFB-SECBINFHSA-N -1 3 285.746 3.164 20 0 CGADHM Cc1cc([C@H](C)N(C)CCC(C)C)oc1C(=O)[O-] ZINC000652388648 418959980 /nfs/dbraw/zinc/95/99/80/418959980.db2.gz OSTFINSNTSZQNM-NSHDSACASA-N -1 3 253.342 3.325 20 0 CGADHM CCc1oc(C(=O)[O-])cc1CN(C)CCc1ccccc1 ZINC000652386368 418960011 /nfs/dbraw/zinc/96/00/11/418960011.db2.gz YMEWGPLOKDOXKN-UHFFFAOYSA-N -1 3 287.359 3.215 20 0 CGADHM CCO[C@@H](CC)c1noc(-c2cc(CC)ccc2[O-])n1 ZINC000665040595 419043447 /nfs/dbraw/zinc/04/34/47/419043447.db2.gz RJVHIGCKDXZWHO-ZDUSSCGKSA-N -1 3 276.336 3.492 20 0 CGADHM C[C@H](c1cccc2ccccc21)N1C[C@@H](C)O[C@@H](C(=O)[O-])C1 ZINC000652508945 418977374 /nfs/dbraw/zinc/97/73/74/418977374.db2.gz OERYQNVVVMZFAO-PBFPGSCMSA-N -1 3 299.370 3.075 20 0 CGADHM Cc1ccc(C(=O)N2CCC3(CC3(F)F)CC2)c([O-])c1C ZINC000652844659 418994976 /nfs/dbraw/zinc/99/49/76/418994976.db2.gz PNMVATNTCXJECQ-UHFFFAOYSA-N -1 3 295.329 3.270 20 0 CGADHM O=C(Nc1ccc(C2CC2)cc1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000654980864 419012541 /nfs/dbraw/zinc/01/25/41/419012541.db2.gz WIFUTMBRYXKEPE-UHFFFAOYSA-N -1 3 295.342 3.189 20 0 CGADHM CC(C)(C)Oc1ccc(-c2cncc(-c3nnn[n-]3)c2)cc1 ZINC000665132359 419061476 /nfs/dbraw/zinc/06/14/76/419061476.db2.gz CDVXIKHQPOGINO-UHFFFAOYSA-N -1 3 295.346 3.106 20 0 CGADHM CC(C)(C)Oc1ccc(-c2cncc(-c3nn[n-]n3)c2)cc1 ZINC000665132359 419061478 /nfs/dbraw/zinc/06/14/78/419061478.db2.gz CDVXIKHQPOGINO-UHFFFAOYSA-N -1 3 295.346 3.106 20 0 CGADHM CCC(CC)NC(=O)c1cc(SC)ccc1[O-] ZINC000665133751 419061533 /nfs/dbraw/zinc/06/15/33/419061533.db2.gz BIOIITCCYHSMCV-UHFFFAOYSA-N -1 3 253.367 3.033 20 0 CGADHM CCN(CCC(=O)[O-])Cc1cc(C(C)C)ccc1OC ZINC000656190856 419147505 /nfs/dbraw/zinc/14/75/05/419147505.db2.gz TVMQHQZYXFGFQB-UHFFFAOYSA-N -1 3 279.380 3.115 20 0 CGADHM CCc1cccc2cc(CN[C@H](C(=O)[O-])C(C)C)oc21 ZINC000656564653 419183509 /nfs/dbraw/zinc/18/35/09/419183509.db2.gz TYJRAPCOZYQOLX-AWEZNQCLSA-N -1 3 275.348 3.194 20 0 CGADHM C[C@H]1CC[C@@H](C(=O)[O-])CN1CCCc1c(F)cccc1F ZINC000655931138 419128502 /nfs/dbraw/zinc/12/85/02/419128502.db2.gz WKMITMYESLJSCO-NWDGAFQWSA-N -1 3 297.345 3.083 20 0 CGADHM Cc1cc(CN2CCC(C3CCC3)CC2)oc1C(=O)[O-] ZINC000656759057 419211403 /nfs/dbraw/zinc/21/14/03/419211403.db2.gz VHOOFUZFKXKCPB-UHFFFAOYSA-N -1 3 277.364 3.298 20 0 CGADHM O=C([O-])c1ccc(CN2CC[C@H](C3CCCCC3)C2)o1 ZINC000656761850 419212598 /nfs/dbraw/zinc/21/25/98/419212598.db2.gz VDHYRLXKWWWVNY-ZDUSSCGKSA-N -1 3 277.364 3.380 20 0 CGADHM O=C([O-])c1ccc(CN2CCC[C@@H](CCF)C2)c(F)c1 ZINC000656764285 419212703 /nfs/dbraw/zinc/21/27/03/419212703.db2.gz WRKKSDNNQCZBHJ-NSHDSACASA-N -1 3 283.318 3.096 20 0 CGADHM Cc1cccc2[nH]c(C[N-]c3nc(C4CC4)no3)cc21 ZINC000656773181 419214920 /nfs/dbraw/zinc/21/49/20/419214920.db2.gz WRSONPJOZBWJHK-UHFFFAOYSA-N -1 3 268.320 3.349 20 0 CGADHM C[C@H]1CCC[C@H](CNCc2cccc([O-])c2Cl)O1 ZINC000657669565 419324658 /nfs/dbraw/zinc/32/46/58/419324658.db2.gz NPKWXOCLDIOYGO-CMPLNLGQSA-N -1 3 269.772 3.093 20 0 CGADHM Cc1ccc(-c2nc(-c3ccc4c(c3)CCO4)no2)c([O-])c1 ZINC000184880766 287549228 /nfs/dbraw/zinc/54/92/28/287549228.db2.gz RNUCRWPLKAIQEU-UHFFFAOYSA-N -1 3 294.310 3.353 20 0 CGADHM COc1ccc(CN(CC(=O)[O-])CC(C)(C)C)c(Cl)c1 ZINC000662224287 419362935 /nfs/dbraw/zinc/36/29/35/419362935.db2.gz VNBSIESSWSDOFS-UHFFFAOYSA-N -1 3 299.798 3.281 20 0 CGADHM CC(C)(C)CN(CC(=O)[O-])Cc1cc2ccccc2o1 ZINC000662224437 419363735 /nfs/dbraw/zinc/36/37/35/419363735.db2.gz CGZCWBDXOSOWHY-UHFFFAOYSA-N -1 3 275.348 3.366 20 0 CGADHM CC12CC(C1)CN2Cc1c(Cl)cccc1C(=O)[O-] ZINC000663315188 419553102 /nfs/dbraw/zinc/55/31/02/419553102.db2.gz DUROLHKDFKLLMM-UHFFFAOYSA-N -1 3 265.740 3.023 20 0 CGADHM O=C([O-])c1occc1CN1CC2CC1(c1ccccc1)C2 ZINC000663318749 419555773 /nfs/dbraw/zinc/55/57/73/419555773.db2.gz ZACVPJOTNXZGGI-UHFFFAOYSA-N -1 3 283.327 3.099 20 0 CGADHM CCC(CC)(CC)C(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000662995078 419511910 /nfs/dbraw/zinc/51/19/10/419511910.db2.gz ZLOJPABUYGZRAA-UHFFFAOYSA-N -1 3 276.340 3.220 20 0 CGADHM CCC(CC)(CC)C(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000662995078 419511917 /nfs/dbraw/zinc/51/19/17/419511917.db2.gz ZLOJPABUYGZRAA-UHFFFAOYSA-N -1 3 276.340 3.220 20 0 CGADHM CCC(CC)(CC)C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000662995078 419511924 /nfs/dbraw/zinc/51/19/24/419511924.db2.gz ZLOJPABUYGZRAA-UHFFFAOYSA-N -1 3 276.340 3.220 20 0 CGADHM Cc1cc(C(=O)NCC2(C)CCCCC2)ccc1[O-] ZINC000227039622 287636902 /nfs/dbraw/zinc/63/69/02/287636902.db2.gz PCNUSYGWNJNYPD-UHFFFAOYSA-N -1 3 261.365 3.401 20 0 CGADHM COc1cccc(F)c1C(=O)Nc1ccc(C)cc1[O-] ZINC000088080810 260227855 /nfs/dbraw/zinc/22/78/55/260227855.db2.gz UVDVGIYAZPYQKU-UHFFFAOYSA-N -1 3 275.279 3.101 20 0 CGADHM CCN(Cc1cccs1)C(=O)c1cc(C)ccc1[O-] ZINC000042273570 270032118 /nfs/dbraw/zinc/03/21/18/270032118.db2.gz YZDHRYTURNIKDY-UHFFFAOYSA-N -1 3 275.373 3.424 20 0 CGADHM CCOCc1cccc(NC(=O)c2cc(C)ccc2[O-])c1 ZINC000102275073 270044953 /nfs/dbraw/zinc/04/49/53/270044953.db2.gz OJNQTPZDQGJZMT-UHFFFAOYSA-N -1 3 285.343 3.489 20 0 CGADHM COc1cc(C)cc(C(=O)Nc2ccc(F)cc2C)c1[O-] ZINC000106456581 270048885 /nfs/dbraw/zinc/04/88/85/270048885.db2.gz WTLKPNHHTUCCPU-UHFFFAOYSA-N -1 3 289.306 3.409 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)c2ccccc2)c(F)c1 ZINC000107308091 270049668 /nfs/dbraw/zinc/04/96/68/270049668.db2.gz HFMOFLMKYJOJEA-LBPRGKRZSA-N -1 3 293.363 3.174 20 0 CGADHM O=C(/C=C/c1ccc2c(c1)CCO2)Nc1ccc([O-])cc1F ZINC000183249384 270055481 /nfs/dbraw/zinc/05/54/81/270055481.db2.gz IAFGPUCORZEPKU-QHHAFSJGSA-N -1 3 299.301 3.118 20 0 CGADHM CC(=O)c1cccc(NC(=O)[C@@H]2CC23CCCC3)c1[O-] ZINC000519160888 265347012 /nfs/dbraw/zinc/34/70/12/265347012.db2.gz XNYIRWCIOWJIHY-LBPRGKRZSA-N -1 3 273.332 3.114 20 0 CGADHM COc1cccc(C(=O)Nc2cc(F)cc(Cl)c2)c1[O-] ZINC000219008233 270085673 /nfs/dbraw/zinc/08/56/73/270085673.db2.gz SGBVTCQYPLUEQX-UHFFFAOYSA-N -1 3 295.697 3.446 20 0 CGADHM CCc1ccc(CNC(=O)c2cccc(C)c2[O-])s1 ZINC000222633737 270086330 /nfs/dbraw/zinc/08/63/30/270086330.db2.gz IXJSBVXVYVSZGN-UHFFFAOYSA-N -1 3 275.373 3.255 20 0 CGADHM COCCc1ccccc1NC(=O)c1ccc([O-])c(C)c1 ZINC000230418328 270089178 /nfs/dbraw/zinc/08/91/78/270089178.db2.gz OBTOECQDYAVVDA-UHFFFAOYSA-N -1 3 285.343 3.142 20 0 CGADHM CCc1ccc([O-])c(C(=O)N[C@@H](C)CCc2ccco2)c1 ZINC000522151188 270105110 /nfs/dbraw/zinc/10/51/10/270105110.db2.gz LAQBTBXQLBEYQD-LBPRGKRZSA-N -1 3 287.359 3.299 20 0 CGADHM C[C@H](CCNC(=O)c1cccc2nn[n-]c21)CC(C)(C)C ZINC000527199301 270126758 /nfs/dbraw/zinc/12/67/58/270126758.db2.gz DTTLXSSEWFHPTK-LLVKDONJSA-N -1 3 288.395 3.150 20 0 CGADHM C[C@H](CCNC(=O)c1cccc2[n-]nnc21)CC(C)(C)C ZINC000527199301 270126759 /nfs/dbraw/zinc/12/67/59/270126759.db2.gz DTTLXSSEWFHPTK-LLVKDONJSA-N -1 3 288.395 3.150 20 0 CGADHM C[C@H](CCNC(=O)c1cccc2n[n-]nc21)CC(C)(C)C ZINC000527199301 270126760 /nfs/dbraw/zinc/12/67/60/270126760.db2.gz DTTLXSSEWFHPTK-LLVKDONJSA-N -1 3 288.395 3.150 20 0 CGADHM O=C(N[C@@H]1CC[C@H]2C[C@H]2C1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000527553899 270130098 /nfs/dbraw/zinc/13/00/98/270130098.db2.gz CUNNICGNWQOHKU-HOTUBEGUSA-N -1 3 299.292 3.329 20 0 CGADHM CC[C@@H](Nc1cc(Cl)c(=O)[n-]n1)c1cc(C)ccc1C ZINC000528220338 270158223 /nfs/dbraw/zinc/15/82/23/270158223.db2.gz DUCCAURFSCHSBF-CYBMUJFWSA-N -1 3 291.782 3.438 20 0 CGADHM Cc1cccc(C(=O)N[C@H](c2ccccn2)C2CCC2)c1[O-] ZINC000529825060 270189430 /nfs/dbraw/zinc/18/94/30/270189430.db2.gz JBGFNUGQXFVNKQ-INIZCTEOSA-N -1 3 296.370 3.367 20 0 CGADHM Cc1cc(C(=O)NCC[C@H]2CC=CCC2)ccc1[O-] ZINC000529865211 270190188 /nfs/dbraw/zinc/19/01/88/270190188.db2.gz BHKOVQUKDIXGRD-ZDUSSCGKSA-N -1 3 259.349 3.177 20 0 CGADHM CCc1cccc(CN2CCc3occc3[C@H]2C(=O)[O-])c1 ZINC000530166153 270195535 /nfs/dbraw/zinc/19/55/35/270195535.db2.gz LGASFDDNJJWCIG-INIZCTEOSA-N -1 3 285.343 3.026 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)C2CC=CC2)c1-c1ccc(C)cc1 ZINC000530274523 270198206 /nfs/dbraw/zinc/19/82/06/270198206.db2.gz WPCYPROACLWDRT-UHFFFAOYSA-N -1 3 281.359 3.020 20 0 CGADHM CCc1cccc(C(=O)NCCCc2ccc(O)cc2)c1[O-] ZINC000530719162 270202415 /nfs/dbraw/zinc/20/24/15/270202415.db2.gz PXWVIGUKJLMXCE-UHFFFAOYSA-N -1 3 299.370 3.023 20 0 CGADHM Cc1cscc1C(=O)N=c1[nH][n-]c(C)c1-c1ccccc1 ZINC000531396020 270206386 /nfs/dbraw/zinc/20/63/86/270206386.db2.gz XVPCEMCNWITKBB-UHFFFAOYSA-N -1 3 297.383 3.429 20 0 CGADHM Cc1ccc([O-])c(C(=O)N[C@H]2CCCC(F)(F)C2)c1 ZINC000532271690 270214786 /nfs/dbraw/zinc/21/47/86/270214786.db2.gz RPMUMSPEWCWJOO-JTQLQIEISA-N -1 3 269.291 3.008 20 0 CGADHM Cc1ccccc1/C=C\C(=O)Nc1cccc([O-])c1F ZINC000255710058 287877279 /nfs/dbraw/zinc/87/72/79/287877279.db2.gz HHZCXMIQEIGNBO-KTKRTIGZSA-N -1 3 271.291 3.492 20 0 CGADHM CCc1c(C(=O)N2CC[C@@H](C)c3cccc([O-])c32)ccn1C ZINC000291708317 276657099 /nfs/dbraw/zinc/65/70/99/276657099.db2.gz PQUOCHRGBDWTRJ-GFCCVEGCSA-N -1 3 298.386 3.447 20 0 CGADHM C[C@@H]1CCN(C(=O)c2ccoc2)c2c([O-])cccc21 ZINC000186300689 277748588 /nfs/dbraw/zinc/74/85/88/277748588.db2.gz UKMJOPSKXOFPBZ-SNVBAGLBSA-N -1 3 257.289 3.139 20 0 CGADHM C[C@H]1[C@@H](C)N(C(=O)c2cc([O-])ccc2Cl)C[C@H]1C ZINC000399572588 288052887 /nfs/dbraw/zinc/05/28/87/288052887.db2.gz PGBLYCFFOVFHDH-OPRDCNLKSA-N -1 3 267.756 3.162 20 0 CGADHM O=c1cc(CN2CC[C@@H](C3CC3)C2)nc(-c2ccccc2)[n-]1 ZINC000459369774 288084398 /nfs/dbraw/zinc/08/43/98/288084398.db2.gz IAIFOMKKAQRPEX-OAHLLOKOSA-N -1 3 295.386 3.081 20 0 CGADHM Cc1cccc(C(=O)N[C@H]2CCc3ccccc32)c1[O-] ZINC000436510421 278912626 /nfs/dbraw/zinc/91/26/26/278912626.db2.gz DGEUWGXGNADKQF-HNNXBMFYSA-N -1 3 267.328 3.118 20 0 CGADHM Cc1ccccc1C(=O)N1CCCc2cccc([O-])c21 ZINC000063063755 278948124 /nfs/dbraw/zinc/94/81/24/278948124.db2.gz KIKDDPFOXPQRCL-UHFFFAOYSA-N -1 3 267.328 3.294 20 0 CGADHM Cc1ccc([N-]S(=O)(=O)CCC(C)(C)C)c(F)c1 ZINC000481455200 288111012 /nfs/dbraw/zinc/11/10/12/288111012.db2.gz VGTMSBRIFAPBRQ-UHFFFAOYSA-N -1 3 273.373 3.312 20 0 CGADHM C[C@@H]1CCN([C@H](C(=O)[O-])c2ccccc2C(F)(F)F)C1 ZINC000521887000 288142598 /nfs/dbraw/zinc/14/25/98/288142598.db2.gz VNBGRONQFRNDJT-SKDRFNHKSA-N -1 3 287.281 3.173 20 0 CGADHM CC(C)[C@@H](C(=O)[O-])[C@@H](C)NCc1ccc(F)cc1Cl ZINC000424628735 279801309 /nfs/dbraw/zinc/80/13/09/279801309.db2.gz XAAZPLQLDBVZOH-NOZJJQNGSA-N -1 3 287.762 3.314 20 0 CGADHM O=C(c1cccs1)N1CCCc2cccc([O-])c21 ZINC000063063760 280217141 /nfs/dbraw/zinc/21/71/41/280217141.db2.gz BDSAPWNRZNFEIK-UHFFFAOYSA-N -1 3 259.330 3.047 20 0 CGADHM C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1C(=O)Nc1c([O-])cccc1Cl ZINC000529422456 288245195 /nfs/dbraw/zinc/24/51/95/288245195.db2.gz BNKSWNFSRSEGPM-UOKLYIGXSA-N -1 3 283.755 3.044 20 0 CGADHM CCc1cccc(C(=O)N2CCC(F)(F)C[C@@H]2C)c1[O-] ZINC000530009440 288283631 /nfs/dbraw/zinc/28/36/31/288283631.db2.gz BBLCKEQISJIOET-JTQLQIEISA-N -1 3 283.318 3.214 20 0 CGADHM CCc1cc2c([n-]c(-c3cscn3)nc2=O)s1 ZINC000432519063 281387599 /nfs/dbraw/zinc/38/75/99/281387599.db2.gz MSSXBLOWEHGPJP-UHFFFAOYSA-N -1 3 263.347 3.083 20 0 CGADHM CC[C@@](C)([N-]C(=O)[C@H](C)C(F)(F)F)C(F)(F)F ZINC000531093666 288329037 /nfs/dbraw/zinc/32/90/37/288329037.db2.gz UNTXUJBMMUBHDZ-CAHLUQPWSA-N -1 3 265.197 3.032 20 0 CGADHM C[C@@H]1C[C@@H](C(=O)N2CC[C@@H](C)c3cccc([O-])c32)CCO1 ZINC000274356721 288450731 /nfs/dbraw/zinc/45/07/31/288450731.db2.gz JXHRXPSUJFYODW-UPJWGTAASA-N -1 3 289.375 3.048 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CCN(C)c3ccccc32)c1 ZINC000536685090 288497026 /nfs/dbraw/zinc/49/70/26/288497026.db2.gz OJIZKUPCGSQZHS-UHFFFAOYSA-N -1 3 296.370 3.051 20 0 CGADHM Cc1ccc(C(=O)N(Cc2ccccn2)C(C)C)c([O-])c1C ZINC000536688025 288497430 /nfs/dbraw/zinc/49/74/30/288497430.db2.gz UINLYMVOACILSP-UHFFFAOYSA-N -1 3 298.386 3.455 20 0 CGADHM CCc1c(C)nc2ccccc2c1N1CCC[C@@H](C(=O)[O-])C1 ZINC000263395174 288511667 /nfs/dbraw/zinc/51/16/67/288511667.db2.gz HJCOMGWDRZYJDJ-CYBMUJFWSA-N -1 3 298.386 3.407 20 0 CGADHM CCc1cccc(Cl)c1CNCC[C@@H](C)CC(=O)[O-] ZINC000426635726 288579930 /nfs/dbraw/zinc/57/99/30/288579930.db2.gz XOBSXJNLDZLCQX-LLVKDONJSA-N -1 3 283.799 3.493 20 0 CGADHM Cc1ccccc1-c1cc(=NC(=O)C(C2CC2)C2CC2)[nH][n-]1 ZINC000540417869 288655217 /nfs/dbraw/zinc/65/52/17/288655217.db2.gz MIOHJICZZQUKLI-UHFFFAOYSA-N -1 3 295.386 3.182 20 0 CGADHM CC(C)[C@H]1C[C@@H]1C(=O)Nc1ccc(Br)cc1[O-] ZINC000542007137 288731349 /nfs/dbraw/zinc/73/13/49/288731349.db2.gz LCWQIAYGHNOWRQ-ZJUUUORDSA-N -1 3 298.180 3.385 20 0 CGADHM CC(=O)c1cccc(NC(=O)CC2CCSCC2)c1[O-] ZINC000552069335 289159263 /nfs/dbraw/zinc/15/92/63/289159263.db2.gz OGQCWZIMZVKXFC-UHFFFAOYSA-N -1 3 293.388 3.067 20 0 CGADHM C[C@@H]1CC[C@@H](CCC(=O)Nc2c([O-])cccc2Cl)O1 ZINC000552434174 289188937 /nfs/dbraw/zinc/18/89/37/289188937.db2.gz FAJSKMFTIZPZOF-ZJUUUORDSA-N -1 3 283.755 3.332 20 0 CGADHM O=C(C[C@H]1C=CCC1)Nc1c([O-])cccc1Cl ZINC000552435651 289189259 /nfs/dbraw/zinc/18/92/59/289189259.db2.gz SGPDBSXTSJMHOZ-VIFPVBQESA-N -1 3 251.713 3.340 20 0 CGADHM O=C(Nc1c([O-])cccc1Cl)c1cc(Cl)c[nH]1 ZINC000552780918 289198345 /nfs/dbraw/zinc/19/83/45/289198345.db2.gz WOCZQRKIVFGOIW-UHFFFAOYSA-N -1 3 271.103 3.279 20 0 CGADHM C[C@@H](C(=O)Nc1c([O-])cccc1Cl)c1cccnc1 ZINC000552782418 289198910 /nfs/dbraw/zinc/19/89/10/289198910.db2.gz LNSZMWUOFQOPAS-SECBINFHSA-N -1 3 276.723 3.183 20 0 CGADHM CCc1cc(C(=O)NC[C@H]2CC=CCC2)ccc1[O-] ZINC000553062597 289206996 /nfs/dbraw/zinc/20/69/96/289206996.db2.gz ZQIINGIGMMWTIJ-LBPRGKRZSA-N -1 3 259.349 3.041 20 0 CGADHM CCc1cc(C(=O)N2C[C@@H]3CCCC[C@H]3C2)ccc1[O-] ZINC000553163587 289210756 /nfs/dbraw/zinc/21/07/56/289210756.db2.gz WBLSISFJJIYXHH-GJZGRUSLSA-N -1 3 273.376 3.217 20 0 CGADHM CCc1cc(C(=O)N[C@@H]2CCC[C@@H](C)C2)ccc1[O-] ZINC000553300425 289218323 /nfs/dbraw/zinc/21/83/23/289218323.db2.gz KXCNMAZVBXCEQY-BXUZGUMPSA-N -1 3 261.365 3.263 20 0 CGADHM CC(C)Cn1cc(C=Cc2cc(=O)[n-]c(C3CC3)n2)cn1 ZINC000554390573 289280809 /nfs/dbraw/zinc/28/08/09/289280809.db2.gz XYEXWSJMFZCJBU-ZZXKWVIFSA-N -1 3 284.363 3.083 20 0 CGADHM CCc1cccc(C(=O)N2CC(C)(C)[C@@H]2C(C)C)c1[O-] ZINC000554494623 289285960 /nfs/dbraw/zinc/28/59/60/289285960.db2.gz JPRJMHVDVKLXCN-HNNXBMFYSA-N -1 3 275.392 3.461 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2ccc(Cl)c(F)c2)n1 ZINC000555465345 289346512 /nfs/dbraw/zinc/34/65/12/289346512.db2.gz FBYNIHMLEGFFIB-HWKANZROSA-N -1 3 264.687 3.454 20 0 CGADHM C[C@@H]1C[C@@H](NCc2ccc(C(=O)[O-])cc2)c2ccccc2O1 ZINC000263401765 297284475 /nfs/dbraw/zinc/28/44/75/297284475.db2.gz IHEVARQAUBSJAR-MLGOLLRUSA-N -1 3 297.354 3.387 20 0 CGADHM Cc1cc(C(=O)N2C[C@H](C)CCC[C@@H]2C)ccc1[O-] ZINC000436903999 301122718 /nfs/dbraw/zinc/12/27/18/301122718.db2.gz OQFUYAZVRLEFPZ-YPMHNXCESA-N -1 3 261.365 3.351 20 0 CGADHM Cc1cc(NC(=O)c2cc(-c3ccco3)[n-]n2)cc(C)c1O ZINC000358592525 301361425 /nfs/dbraw/zinc/36/14/25/301361425.db2.gz HPTFRTCOTJNLDQ-UHFFFAOYSA-N -1 3 297.314 3.244 20 0 CGADHM Cc1cc(NC(=O)c2cc(-c3ccco3)n[n-]2)cc(C)c1O ZINC000358592525 301361430 /nfs/dbraw/zinc/36/14/30/301361430.db2.gz HPTFRTCOTJNLDQ-UHFFFAOYSA-N -1 3 297.314 3.244 20 0 CGADHM Cc1cccc(C(=O)N2CCSC[C@@H]2C2CCC2)c1[O-] ZINC000416117468 301951049 /nfs/dbraw/zinc/95/10/49/301951049.db2.gz UKLOEWHYCBDAQM-CQSZACIVSA-N -1 3 291.416 3.058 20 0 CGADHM O=C([O-])C[C@H](NCc1cccc(C2CC2)c1)c1ccncc1 ZINC000563899265 322015027 /nfs/dbraw/zinc/01/50/27/322015027.db2.gz SAERAMOJTVIRKK-KRWDZBQOSA-N -1 3 296.370 3.265 20 0 CGADHM C[C@@H]1Cc2cc(F)ccc2[C@@H](C)N1CCCCC(=O)[O-] ZINC000564092912 322020256 /nfs/dbraw/zinc/02/02/56/322020256.db2.gz PDRIMZXJXZRFDD-VXGBXAGGSA-N -1 3 279.355 3.388 20 0 CGADHM CCCN(Cc1csc(C(=O)[O-])c1)C[C@@H]1CCCCO1 ZINC000564464619 322031948 /nfs/dbraw/zinc/03/19/48/322031948.db2.gz XJJIHDFEQJYCDL-ZDUSSCGKSA-N -1 3 297.420 3.227 20 0 CGADHM CC(C)[C@@H]1C[C@H]1C(=O)Nc1c([O-])cccc1Cl ZINC000565197697 322066169 /nfs/dbraw/zinc/06/61/69/322066169.db2.gz AUUXQZQGYPBRBV-DTWKUNHWSA-N -1 3 253.729 3.276 20 0 CGADHM CCO[C@H](CC(=O)Nc1cccc([O-])c1F)C1=CCCC1 ZINC000565613654 322084239 /nfs/dbraw/zinc/08/42/39/322084239.db2.gz XLROUZGKEGTPGA-CQSZACIVSA-N -1 3 293.338 3.375 20 0 CGADHM Cc1oc(CN2CC[C@@]3(CC[C@@H](C)C3)C2)cc1C(=O)[O-] ZINC000566362749 322119143 /nfs/dbraw/zinc/11/91/43/322119143.db2.gz WTVFWZZEQLQTGZ-BDJLRTHQSA-N -1 3 277.364 3.298 20 0 CGADHM O=C([O-])c1ccc(CN2CCC[C@@]3(CC=CCC3)C2)nc1 ZINC000566566777 322129898 /nfs/dbraw/zinc/12/98/98/322129898.db2.gz GMZRXVVEXGSYLW-KRWDZBQOSA-N -1 3 286.375 3.102 20 0 CGADHM O=C(Nc1ccsc1Cl)c1cc(=O)[n-]c(C2CC2)n1 ZINC000566747514 322136728 /nfs/dbraw/zinc/13/67/28/322136728.db2.gz UNPHKFSUGBFIGT-UHFFFAOYSA-N -1 3 295.751 3.027 20 0 CGADHM CCO[C@@H](C)c1ncc(C(=O)[N-]c2nc(CC)co2)s1 ZINC000566863929 322141286 /nfs/dbraw/zinc/14/12/86/322141286.db2.gz MUMWUPYWAZVCLJ-QMMMGPOBSA-N -1 3 295.364 3.043 20 0 CGADHM Cc1ccc(NC(=O)[C@@H]2CCCCCC(=O)C2)c([O-])c1 ZINC000567008852 322146561 /nfs/dbraw/zinc/14/65/61/322146561.db2.gz YHYVUDJMVQRPMH-GFCCVEGCSA-N -1 3 275.348 3.179 20 0 CGADHM CC(=O)c1cccc(NC(=O)C[C@H]2C=CCCC2)c1[O-] ZINC000567956228 322185745 /nfs/dbraw/zinc/18/57/45/322185745.db2.gz JKPQSKBIGNRPJI-LBPRGKRZSA-N -1 3 273.332 3.280 20 0 CGADHM C[C@@H]1CCN(Cc2nc(C(=O)[O-])cs2)[C@H]2CCCC[C@@H]12 ZINC000568059967 322190328 /nfs/dbraw/zinc/19/03/28/322190328.db2.gz NGSSLPGHCVETHW-MDZLAQPJSA-N -1 3 294.420 3.242 20 0 CGADHM CN(CCc1ccc(F)cc1)Cc1ccc(C(=O)[O-])s1 ZINC000568281635 322203256 /nfs/dbraw/zinc/20/32/56/322203256.db2.gz UVOZQUGBQKLKTF-UHFFFAOYSA-N -1 3 293.363 3.260 20 0 CGADHM C[C@@H]1CN([C@@H](C(=O)[O-])c2ccccc2)Cc2ccccc2O1 ZINC000568290989 322204174 /nfs/dbraw/zinc/20/41/74/322204174.db2.gz XNQNVECECKVSLW-CXAGYDPISA-N -1 3 297.354 3.095 20 0 CGADHM CCC[C@H](C)S(=O)(=O)[N-]c1ccc(C)cc1OCC ZINC000569345218 322244098 /nfs/dbraw/zinc/24/40/98/322244098.db2.gz KJNOEWRAJYBDJF-LBPRGKRZSA-N -1 3 285.409 3.324 20 0 CGADHM Cc1ccccc1[C@@H]1CCN(Cc2ccc(C(=O)[O-])o2)C1 ZINC000569463956 322248176 /nfs/dbraw/zinc/24/81/76/322248176.db2.gz TZYLPOSRKAHOFO-CYBMUJFWSA-N -1 3 285.343 3.276 20 0 CGADHM O=C([O-])c1coc(CN2CCC[C@@H](Cc3ccccc3)C2)c1 ZINC000569700787 322254858 /nfs/dbraw/zinc/25/48/58/322254858.db2.gz HOFAEZJKWVWJOQ-HNNXBMFYSA-N -1 3 299.370 3.433 20 0 CGADHM COc1ccc(NC(=O)C2(C3CCC3)CCC2)c([O-])c1 ZINC000571518201 322300784 /nfs/dbraw/zinc/30/07/84/322300784.db2.gz HWPKDLKWELGQQL-UHFFFAOYSA-N -1 3 275.348 3.310 20 0 CGADHM CC/C=C\CCN(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC000571530731 322301070 /nfs/dbraw/zinc/30/10/70/322301070.db2.gz YACJDVIFJJKBGJ-WAYWQWQTSA-N -1 3 251.326 3.074 20 0 CGADHM CN(CCCCCC(=O)[O-])Cc1ccc(F)cc1F ZINC000571769031 322307569 /nfs/dbraw/zinc/30/75/69/322307569.db2.gz SBLPDEAPCRCTRS-UHFFFAOYSA-N -1 3 271.307 3.042 20 0 CGADHM C[C@@H]1CCSCCN1Cc1c(Cl)cccc1C(=O)[O-] ZINC000572250458 322327359 /nfs/dbraw/zinc/32/73/59/322327359.db2.gz VFPLNJRIBKSQPV-SNVBAGLBSA-N -1 3 299.823 3.366 20 0 CGADHM O=C(Nc1cccc([O-])c1F)c1cc2[nH]ccc2s1 ZINC000574378366 322437311 /nfs/dbraw/zinc/43/73/11/322437311.db2.gz MZIFTIQRDBGARS-UHFFFAOYSA-N -1 3 276.292 3.326 20 0 CGADHM COc1ccsc1C=Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000575976595 322498994 /nfs/dbraw/zinc/49/89/94/322498994.db2.gz RUPLUVQSQYJFOZ-PLNGDYQASA-N -1 3 274.345 3.300 20 0 CGADHM CCOC(=O)c1ccc(NC(=O)CC[C@@H](C)CC)c([O-])c1 ZINC000583515637 328596782 /nfs/dbraw/zinc/59/67/82/328596782.db2.gz LIFVZFFNPWCXFH-NSHDSACASA-N -1 3 293.363 3.334 20 0 CGADHM C[C@H]1C[C@@H](CSCc2cc(=O)[n-]c(C3CC3)n2)CCO1 ZINC000582350698 328967781 /nfs/dbraw/zinc/96/77/81/328967781.db2.gz UUBLGHAPZCNSLW-QWRGUYRKSA-N -1 3 294.420 3.108 20 0 CGADHM CC(C)(C)c1coc([N-]C(=O)c2cc(C3CC3)no2)n1 ZINC000582554807 329110915 /nfs/dbraw/zinc/11/09/15/329110915.db2.gz WHLLSRRATGDFEN-UHFFFAOYSA-N -1 3 275.308 3.090 20 0 CGADHM C[C@@H](c1cc(F)ccc1F)N(C)CC1(CC(=O)[O-])CC1 ZINC000582671364 329122959 /nfs/dbraw/zinc/12/29/59/329122959.db2.gz NFHHHFMYEQVNKC-JTQLQIEISA-N -1 3 283.318 3.213 20 0 CGADHM CC(C)C[C@H](NC(=O)Cc1cncc([O-])c1)c1ccccc1 ZINC000584367825 329295766 /nfs/dbraw/zinc/29/57/66/329295766.db2.gz JSHRAZCFPUCENQ-KRWDZBQOSA-N -1 3 298.386 3.233 20 0 CGADHM CCc1oc(C(=O)[O-])cc1CN(C)C[C@@H](C)CC ZINC000582970091 329296396 /nfs/dbraw/zinc/29/63/96/329296396.db2.gz LMNINTSDVSIEOF-JTQLQIEISA-N -1 3 253.342 3.018 20 0 CGADHM COc1cccc(Cl)c1CN1C[C@H](C(=O)[O-])CC[C@H]1C ZINC000397124813 329341707 /nfs/dbraw/zinc/34/17/07/329341707.db2.gz VMMPECQFFKJMDR-GHMZBOCLSA-N -1 3 297.782 3.034 20 0 CGADHM COc1cccc([C@@H](C)NC(=O)c2cccc(C)c2[O-])c1 ZINC000436759126 533710278 /nfs/dbraw/zinc/71/02/78/533710278.db2.gz SVODFDJRGULNDI-GFCCVEGCSA-N -1 3 285.343 3.200 20 0 CGADHM C[C@H](Oc1cccc(F)c1)C(=O)Nc1cc(F)ccc1[O-] ZINC000174895490 335168811 /nfs/dbraw/zinc/16/88/11/335168811.db2.gz LNVSRTGBDXJRAR-VIFPVBQESA-N -1 3 293.269 3.076 20 0 CGADHM CC(=O)c1csc(C(=O)Nc2cc(F)ccc2[O-])c1 ZINC000174892722 335168997 /nfs/dbraw/zinc/16/89/97/335168997.db2.gz VYHSSUGMNFSHCR-UHFFFAOYSA-N -1 3 279.292 3.048 20 0 CGADHM CC(C)(C)c1ccc(NC(=O)Cc2cncc([O-])c2)cc1 ZINC000576334178 335190654 /nfs/dbraw/zinc/19/06/54/335190654.db2.gz QWDWYUAJRMLWSR-UHFFFAOYSA-N -1 3 284.359 3.266 20 0 CGADHM CC(C)c1cc(C(=O)[N-]c2nc(C(C)(C)C)co2)on1 ZINC000576476243 335209150 /nfs/dbraw/zinc/20/91/50/335209150.db2.gz HGOIQVFHMUSBMX-UHFFFAOYSA-N -1 3 277.324 3.336 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])c1cccc2[nH]ccc21 ZINC000176184167 335248145 /nfs/dbraw/zinc/24/81/45/335248145.db2.gz JNONWJVAVOPJIR-UHFFFAOYSA-N -1 3 270.263 3.265 20 0 CGADHM CCCC(C)(C)Cc1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000577006818 335278404 /nfs/dbraw/zinc/27/84/04/335278404.db2.gz ZYLCTXUFSVGHIZ-UHFFFAOYSA-N -1 3 285.351 3.377 20 0 CGADHM O=C([O-])CN(Cc1ccc(F)c(F)c1)CC1=CCCCC1 ZINC000577737955 335394656 /nfs/dbraw/zinc/39/46/56/335394656.db2.gz IDSRGVYFWURMFN-UHFFFAOYSA-N -1 3 295.329 3.352 20 0 CGADHM CC(C)c1ccc(-c2nc([C@@H]3CCOC3)no2)c([O-])c1 ZINC000350570745 335515129 /nfs/dbraw/zinc/51/51/29/335515129.db2.gz OFJUPFKSFJGJMR-LLVKDONJSA-N -1 3 274.320 3.070 20 0 CGADHM CC[C@@H](NCc1ccc(-c2cccc(F)c2F)o1)C(=O)[O-] ZINC000578651539 335659434 /nfs/dbraw/zinc/65/94/34/335659434.db2.gz ADVLXFLKXMJPBA-GFCCVEGCSA-N -1 3 295.285 3.178 20 0 CGADHM [O-]c1cccc(CNC[C@H]2Cc3ccccc3O2)c1Cl ZINC000380882686 336038431 /nfs/dbraw/zinc/03/84/31/336038431.db2.gz CXSGFPUZUKHHEK-CYBMUJFWSA-N -1 3 289.762 3.139 20 0 CGADHM COc1ccc([O-])c(C(=O)Nc2ncsc2C(C)C)c1 ZINC000581965824 336180494 /nfs/dbraw/zinc/18/04/94/336180494.db2.gz YLECCKZDHNOHJT-UHFFFAOYSA-N -1 3 292.360 3.233 20 0 CGADHM COc1ccc([O-])c(C(=O)NCc2ccc(C(C)C)cc2)c1 ZINC000387335246 336192669 /nfs/dbraw/zinc/19/26/69/336192669.db2.gz BKJTXVHIOGPWLA-UHFFFAOYSA-N -1 3 299.370 3.454 20 0 CGADHM C[C@H]1CC[C@](CNCc2cc(F)ccc2F)(CC(=O)[O-])C1 ZINC000426638318 533770037 /nfs/dbraw/zinc/77/00/37/533770037.db2.gz PUQFMYOXDLKKGE-MEDUHNTESA-N -1 3 297.345 3.336 20 0 CGADHM Cc1cc([C@@H](C)NC(=O)Cc2ccc([O-])c(F)c2)c(C)o1 ZINC000448809015 534041394 /nfs/dbraw/zinc/04/13/94/534041394.db2.gz HFRBNVUSAJIDFY-SNVBAGLBSA-N -1 3 291.322 3.161 20 0 CGADHM Cc1cc2cc(CNC(=O)c3cc(C)ccc3[O-])ccc2[nH]1 ZINC000436715853 534091239 /nfs/dbraw/zinc/09/12/39/534091239.db2.gz YWAZLBVDZTVKJZ-UHFFFAOYSA-N -1 3 294.354 3.420 20 0 CGADHM Cc1ccc(-c2noc(/C=C/c3cccc([O-])c3)n2)cn1 ZINC000435955157 534229429 /nfs/dbraw/zinc/22/94/29/534229429.db2.gz RZPQTOFBKSGCML-SOFGYWHQSA-N -1 3 279.299 3.316 20 0 CGADHM O=C(Nc1ccccc1[O-])[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000175083185 534398466 /nfs/dbraw/zinc/39/84/66/534398466.db2.gz QPQZFPFLOMLWIU-MNOVXSKESA-N -1 3 289.281 3.413 20 0 CGADHM [O-]c1ccc(-c2noc(COc3ccccc3F)n2)cc1 ZINC000436771209 534452438 /nfs/dbraw/zinc/45/24/38/534452438.db2.gz YMXFPKXBXSGXHU-UHFFFAOYSA-N -1 3 286.262 3.160 20 0 CGADHM Cc1nsc(C)c1-c1noc(-c2cc(C)ccc2[O-])n1 ZINC000436789679 534496497 /nfs/dbraw/zinc/49/64/97/534496497.db2.gz LVRAMOPMWMWEDN-UHFFFAOYSA-N -1 3 287.344 3.491 20 0 CGADHM O=C([O-])Cc1ccccc1CNC/C=C/c1ccc(F)cc1 ZINC000426710511 534508012 /nfs/dbraw/zinc/50/80/12/534508012.db2.gz WRRFXLLPVRRPNP-ONEGZZNKSA-N -1 3 299.345 3.256 20 0 CGADHM O=C([O-])[C@@H](NCc1ccc(Cl)c(F)c1)c1cccs1 ZINC000426779650 534515324 /nfs/dbraw/zinc/51/53/24/534515324.db2.gz JWLYEBRXTAHABH-LBPRGKRZSA-N -1 3 299.754 3.456 20 0 CGADHM Cc1cnc([C@H](NC(=O)c2ccccc2[O-])C2CC2)s1 ZINC000173596890 534664124 /nfs/dbraw/zinc/66/41/24/534664124.db2.gz CFBMPOWOBKOGIU-CYBMUJFWSA-N -1 3 288.372 3.038 20 0 CGADHM Cc1cccc(OCC(=O)Nc2c(C)cccc2[O-])c1 ZINC000179558626 534750067 /nfs/dbraw/zinc/75/00/67/534750067.db2.gz DHENBADHYBHWIJ-UHFFFAOYSA-N -1 3 271.316 3.027 20 0 CGADHM Cc1ccc(CN[C@@H](C(=O)[O-])c2ccccc2)cc1F ZINC000110976674 524591162 /nfs/dbraw/zinc/59/11/62/524591162.db2.gz KXICIWUGAQVYDP-OAHLLOKOSA-N -1 3 273.307 3.050 20 0 CGADHM O=S(=O)([N-]CCC1CC1)c1cc(Cl)cc(Cl)c1 ZINC000360798623 534866719 /nfs/dbraw/zinc/86/67/19/534866719.db2.gz KRCDFIJUXWHVIN-UHFFFAOYSA-N -1 3 294.203 3.072 20 0 CGADHM CC(=O)[C@H](C)SCc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000412999356 527145057 /nfs/dbraw/zinc/14/50/57/527145057.db2.gz LVJGKPXJVGTTAF-NSHDSACASA-N -1 3 288.372 3.060 20 0 CGADHM CC(=O)c1cc(NC(=O)c2cccc(C)c2[O-])ccc1F ZINC000436856222 527215736 /nfs/dbraw/zinc/21/57/36/527215736.db2.gz LQHPCHPPWSXAQI-UHFFFAOYSA-N -1 3 287.290 3.295 20 0 CGADHM CC(C)=CCSCc1cc(=O)[n-]c(C2CC2)n1 ZINC000413004592 527454133 /nfs/dbraw/zinc/45/41/33/527454133.db2.gz KNPCPCKYMJDRKN-UHFFFAOYSA-N -1 3 250.367 3.259 20 0 CGADHM CC(C)C(C)(C)CNC(=O)NCc1ccc([O-])c(F)c1 ZINC000186876142 527567328 /nfs/dbraw/zinc/56/73/28/527567328.db2.gz QKUYPCVVLFAGKD-UHFFFAOYSA-N -1 3 282.359 3.013 20 0 CGADHM CC(C)C1(c2ccccc2)CN(C(=O)c2cccc([O-])c2)C1 ZINC000413994723 527626423 /nfs/dbraw/zinc/62/64/23/527626423.db2.gz RZPKTXDIBXPHMV-UHFFFAOYSA-N -1 3 295.382 3.442 20 0 CGADHM CCO[C@@H](CCNC(=O)c1ccc(C)c(C)c1[O-])C(C)C ZINC000436836313 527728064 /nfs/dbraw/zinc/72/80/64/527728064.db2.gz HJVNXZBVHPDWRN-HNNXBMFYSA-N -1 3 293.407 3.190 20 0 CGADHM CCCC1CCC([N-]S(=O)(=O)c2ccc(C)o2)CC1 ZINC000358465584 528079659 /nfs/dbraw/zinc/07/96/59/528079659.db2.gz QCCIUHYLECHQSJ-UHFFFAOYSA-N -1 3 285.409 3.225 20 0 CGADHM CC(C)COCCCNC(=O)c1ccc(C(C)C)cc1[O-] ZINC000436653870 528093636 /nfs/dbraw/zinc/09/36/36/528093636.db2.gz VPKONCLUPSTTKA-UHFFFAOYSA-N -1 3 293.407 3.308 20 0 CGADHM CCCN1Cc2cccc(NC(=O)c3ccccc3[O-])c2C1 ZINC000171309145 528328216 /nfs/dbraw/zinc/32/82/16/528328216.db2.gz NYJXVZPSMYQKMR-UHFFFAOYSA-N -1 3 296.370 3.370 20 0 CGADHM CC(C)[C@@H](CC(F)(F)F)NC(=O)c1ccccc1[O-] ZINC000438628622 528428697 /nfs/dbraw/zinc/42/86/97/528428697.db2.gz VVDFPSPLNOOXJY-SNVBAGLBSA-N -1 3 275.270 3.099 20 0 CGADHM CCN(CCc1cccs1)C(=O)c1ccccc1[O-] ZINC000436742734 528597092 /nfs/dbraw/zinc/59/70/92/528597092.db2.gz XLOQAXRANXZUOS-UHFFFAOYSA-N -1 3 275.373 3.159 20 0 CGADHM CCCc1cc(=O)[n-]c(C(=Cc2cc(C)nn2C)CC)n1 ZINC000416392688 528613737 /nfs/dbraw/zinc/61/37/37/528613737.db2.gz SXEBRMLXBXRRKZ-FMIVXFBMSA-N -1 3 286.379 3.127 20 0 CGADHM CCCc1csc(CNCC(CC)(CC)C(=O)[O-])n1 ZINC000424416058 528667961 /nfs/dbraw/zinc/66/79/61/528667961.db2.gz UOBDTMWCYLNKGJ-UHFFFAOYSA-N -1 3 284.425 3.076 20 0 CGADHM CCCCc1nnc([N-]C(=O)c2ccc(Cl)cn2)s1 ZINC000128054840 529052987 /nfs/dbraw/zinc/05/29/87/529052987.db2.gz IFRHFDFEDXCLDC-UHFFFAOYSA-N -1 3 296.783 3.181 20 0 CGADHM CCC1(CC)CN(C(=O)Cc2ccc([O-])cc2Cl)C1 ZINC000355865078 529065354 /nfs/dbraw/zinc/06/53/54/529065354.db2.gz YEQBEJVQLORCHQ-UHFFFAOYSA-N -1 3 281.783 3.237 20 0 CGADHM CC1(C)CN(C(=O)c2cc([O-])c3ccccc3c2)CCCO1 ZINC000366224328 529101498 /nfs/dbraw/zinc/10/14/98/529101498.db2.gz WLGXGGBRYROOQW-UHFFFAOYSA-N -1 3 299.370 3.187 20 0 CGADHM CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000411400768 529282513 /nfs/dbraw/zinc/28/25/13/529282513.db2.gz OQNLGQGUAMFVDD-DOMZBBRYSA-N -1 3 289.375 3.293 20 0 CGADHM CC[C@H](C)C(=O)N=c1cc(-c2cc(C)cc(C)c2)[n-][nH]1 ZINC000517632405 536112139 /nfs/dbraw/zinc/11/21/39/536112139.db2.gz BRCAKOZUHXJWPT-LBPRGKRZSA-N -1 3 271.364 3.100 20 0 CGADHM CCc1cc(C(=O)N[C@H]2CC23CCCCC3)ccc1[O-] ZINC000486933157 536131800 /nfs/dbraw/zinc/13/18/00/536131800.db2.gz FGHDMGGWAVSGEQ-HNNXBMFYSA-N -1 3 273.376 3.407 20 0 CGADHM COc1csc(C(=O)[N-]c2cc(C(F)(F)F)no2)c1 ZINC000748355800 572974928 /nfs/dbraw/zinc/97/49/28/572974928.db2.gz KBBPSZHFTBAGGD-UHFFFAOYSA-N -1 3 292.238 3.016 20 0 CGADHM COc1ccc(NC(=O)[C@@H]2CC[C@@H](C)[C@@H](C)C2)c([O-])c1 ZINC000451030689 571717625 /nfs/dbraw/zinc/71/76/25/571717625.db2.gz YFBUVVZIBBLNOG-GRYCIOLGSA-N -1 3 277.364 3.412 20 0 CGADHM CC[C@H](CC(C)C)C(=O)Nc1ccc(OC)cc1[O-] ZINC000451030781 571717695 /nfs/dbraw/zinc/71/76/95/571717695.db2.gz ZBNPOQKXWLWTJE-LLVKDONJSA-N -1 3 265.353 3.412 20 0 CGADHM CCO[N-]C(=O)Nc1ccc(-c2nc(C)c(C)o2)cc1 ZINC000727970182 571781678 /nfs/dbraw/zinc/78/16/78/571781678.db2.gz XMQUMAIKFBODMQ-UHFFFAOYSA-N -1 3 275.308 3.031 20 0 CGADHM COc1cccc([C@@H]2C[C@@H]2C(=O)[N-]OCc2ccccc2)c1 ZINC000730207696 571970867 /nfs/dbraw/zinc/97/08/67/571970867.db2.gz XYCADSBMQOJRRB-IRXDYDNUSA-N -1 3 297.354 3.047 20 0 CGADHM COc1ccccc1N(C)C(=O)c1cc2occc2[n-]1 ZINC000750841517 572329402 /nfs/dbraw/zinc/32/94/02/572329402.db2.gz GHBBHKBEHYABFN-UHFFFAOYSA-N -1 3 270.288 3.046 20 0 CGADHM COC(=O)c1cc(C)ccc1NC(=O)c1cc2occc2[n-]1 ZINC000750864068 572330742 /nfs/dbraw/zinc/33/07/42/572330742.db2.gz KIEAOMBAIYWBAE-UHFFFAOYSA-N -1 3 298.298 3.108 20 0 CGADHM C[C@@H]1CN(C(=O)c2cc3occc3[n-]2)c2ccccc2O1 ZINC000750878302 572331441 /nfs/dbraw/zinc/33/14/41/572331441.db2.gz FSZIZFCJEDHSSH-SNVBAGLBSA-N -1 3 282.299 3.189 20 0 CGADHM CN(Cc1ccc(F)c(F)c1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737472038 572347114 /nfs/dbraw/zinc/34/71/14/572347114.db2.gz JIGLOUGYSYANMJ-OAHLLOKOSA-N -1 3 291.297 3.223 20 0 CGADHM Clc1cc(N2CCCCCCC2)ccc1-c1nnn[n-]1 ZINC000737563044 572348925 /nfs/dbraw/zinc/34/89/25/572348925.db2.gz DASHWKGHHYATPX-UHFFFAOYSA-N -1 3 291.786 3.291 20 0 CGADHM Clc1cc(N2CCCCCCC2)ccc1-c1nn[n-]n1 ZINC000737563044 572348929 /nfs/dbraw/zinc/34/89/29/572348929.db2.gz DASHWKGHHYATPX-UHFFFAOYSA-N -1 3 291.786 3.291 20 0 CGADHM Fc1cc(OC/C=C/c2ccccc2)ccc1-c1nnn[n-]1 ZINC000737648563 572382493 /nfs/dbraw/zinc/38/24/93/572382493.db2.gz AVBZNEMTLZRYCG-QPJJXVBHSA-N -1 3 296.305 3.098 20 0 CGADHM Fc1cc(OC/C=C/c2ccccc2)ccc1-c1nn[n-]n1 ZINC000737648563 572382500 /nfs/dbraw/zinc/38/25/00/572382500.db2.gz AVBZNEMTLZRYCG-QPJJXVBHSA-N -1 3 296.305 3.098 20 0 CGADHM C[C@@H](NC[C@H]1CCCN(C(=O)[O-])C1)c1ccc(F)cc1F ZINC000739034808 572399445 /nfs/dbraw/zinc/39/94/45/572399445.db2.gz MOLPFNIUDQCBIQ-GHMZBOCLSA-N -1 3 298.333 3.005 20 0 CGADHM Cc1ccc([C@@H](C)NCCC2CCN(C(=O)[O-])CC2)o1 ZINC000740113090 572432400 /nfs/dbraw/zinc/43/24/00/572432400.db2.gz GXRRBJBBHUGYDM-GFCCVEGCSA-N -1 3 280.368 3.019 20 0 CGADHM CCCOc1cc(C=Cc2nccc(=O)[n-]2)ccc1OC ZINC000742219608 572559098 /nfs/dbraw/zinc/55/90/98/572559098.db2.gz CPUVWARVSUMHDB-FNORWQNLSA-N -1 3 286.331 3.150 20 0 CGADHM CC(C)C[C@@H](CNC(=O)[O-])NCc1ccc(Cl)s1 ZINC000738806141 572731378 /nfs/dbraw/zinc/73/13/78/572731378.db2.gz CJJBEAVTPXQYPR-VIFPVBQESA-N -1 3 290.816 3.173 20 0 CGADHM CC(C)(C)CCCNc1cccc(F)c1-c1nnn[n-]1 ZINC000735601739 572733000 /nfs/dbraw/zinc/73/30/00/572733000.db2.gz BFSMMMBSZPGLRQ-UHFFFAOYSA-N -1 3 277.347 3.244 20 0 CGADHM CC(C)(C)CCCNc1cccc(F)c1-c1nn[n-]n1 ZINC000735601739 572733003 /nfs/dbraw/zinc/73/30/03/572733003.db2.gz BFSMMMBSZPGLRQ-UHFFFAOYSA-N -1 3 277.347 3.244 20 0 CGADHM CC(C)CC[C@@H](C)Nc1cccc(F)c1-c1nnn[n-]1 ZINC000735797744 572743000 /nfs/dbraw/zinc/74/30/00/572743000.db2.gz SLFGKJQENUDFPN-SNVBAGLBSA-N -1 3 277.347 3.242 20 0 CGADHM CC(C)CC[C@@H](C)Nc1cccc(F)c1-c1nn[n-]n1 ZINC000735797744 572743003 /nfs/dbraw/zinc/74/30/03/572743003.db2.gz SLFGKJQENUDFPN-SNVBAGLBSA-N -1 3 277.347 3.242 20 0 CGADHM O=C(OCCC1CC1)c1cc(-c2cccs2)[n-]n1 ZINC000744761485 572771949 /nfs/dbraw/zinc/77/19/49/572771949.db2.gz DRYJCOJZZSTLLN-UHFFFAOYSA-N -1 3 262.334 3.095 20 0 CGADHM O=C(OCCC1CC1)c1cc(-c2cccs2)n[n-]1 ZINC000744761485 572771952 /nfs/dbraw/zinc/77/19/52/572771952.db2.gz DRYJCOJZZSTLLN-UHFFFAOYSA-N -1 3 262.334 3.095 20 0 CGADHM CC(C)(CCC(=O)[O-])NCc1ccc(F)cc1Cl ZINC000736320017 572782152 /nfs/dbraw/zinc/78/21/52/572782152.db2.gz WGRXVQQGUWNROL-UHFFFAOYSA-N -1 3 273.735 3.212 20 0 CGADHM CCC1CCN(c2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000736412152 572788687 /nfs/dbraw/zinc/78/86/87/572788687.db2.gz UFZGBQCLVCHUPB-UHFFFAOYSA-N -1 3 291.786 3.147 20 0 CGADHM CCC1CCN(c2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000736412152 572788690 /nfs/dbraw/zinc/78/86/90/572788690.db2.gz UFZGBQCLVCHUPB-UHFFFAOYSA-N -1 3 291.786 3.147 20 0 CGADHM CCC[C@@H](C)N(C)c1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000736425278 572789117 /nfs/dbraw/zinc/78/91/17/572789117.db2.gz VJZSKEXTEHNNCS-LLVKDONJSA-N -1 3 296.378 3.040 20 0 CGADHM CCC[C@@H](C)N(C)c1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000736425278 572789121 /nfs/dbraw/zinc/78/91/21/572789121.db2.gz VJZSKEXTEHNNCS-LLVKDONJSA-N -1 3 296.378 3.040 20 0 CGADHM CCCCSCc1ccc(F)cc1-c1nnn[n-]1 ZINC000736464002 572794479 /nfs/dbraw/zinc/79/44/79/572794479.db2.gz UKGRNPOTCKVUAY-UHFFFAOYSA-N -1 3 266.345 3.039 20 0 CGADHM CCCCSCc1ccc(F)cc1-c1nn[n-]n1 ZINC000736464002 572794482 /nfs/dbraw/zinc/79/44/82/572794482.db2.gz UKGRNPOTCKVUAY-UHFFFAOYSA-N -1 3 266.345 3.039 20 0 CGADHM C[C@@H](N[C@@H]1CCCN(C(=O)[O-])C1)c1ccccc1Cl ZINC000736661034 572802870 /nfs/dbraw/zinc/80/28/70/572802870.db2.gz CNCRTZSPJBZJHL-GHMZBOCLSA-N -1 3 282.771 3.133 20 0 CGADHM CCC[C@@H](C)OC(=O)c1cc(-c2ccc(C)o2)n[n-]1 ZINC000748115234 572961701 /nfs/dbraw/zinc/96/17/01/572961701.db2.gz BBVDNKITKKOURP-SECBINFHSA-N -1 3 262.309 3.324 20 0 CGADHM CCC[C@@H](C)OC(=O)c1cc(-c2ccc(C)o2)[n-]n1 ZINC000748115234 572961703 /nfs/dbraw/zinc/96/17/03/572961703.db2.gz BBVDNKITKKOURP-SECBINFHSA-N -1 3 262.309 3.324 20 0 CGADHM CSc1ccncc1[N-]C(=O)c1csc(C2CC2)n1 ZINC000750118856 573088578 /nfs/dbraw/zinc/08/85/78/573088578.db2.gz FNKDLZIQEXUDFC-UHFFFAOYSA-N -1 3 291.401 3.390 20 0 CGADHM Cc1cc2cc(NC(=O)[N-]OCC(C)C)ccc2[nH]1 ZINC000750311854 573110129 /nfs/dbraw/zinc/11/01/29/573110129.db2.gz FWJZVCAHJBNTNL-UHFFFAOYSA-N -1 3 261.325 3.185 20 0 CGADHM c1cc(-c2nn[n-]n2)ccc1N[C@@H]1C[C@H]1C1CCCCC1 ZINC000823743008 599042063 /nfs/dbraw/zinc/04/20/63/599042063.db2.gz QANUBGFUUQJULQ-LSDHHAIUSA-N -1 3 283.379 3.247 20 0 CGADHM CC[C@H](C)C[C@@H](C)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000820868982 599067427 /nfs/dbraw/zinc/06/74/27/599067427.db2.gz DGLLQNJWMGQKPR-WDEREUQCSA-N -1 3 259.357 3.103 20 0 CGADHM Cc1c(NC(=O)C=C2CCCCC2)cccc1-c1nnn[n-]1 ZINC000822069409 607296701 /nfs/dbraw/zinc/29/67/01/607296701.db2.gz ZJNWGXXKVUCEHQ-UHFFFAOYSA-N -1 3 297.362 3.004 20 0 CGADHM Cc1c(NC(=O)C=C2CCCCC2)cccc1-c1nn[n-]n1 ZINC000822069409 607296702 /nfs/dbraw/zinc/29/67/02/607296702.db2.gz ZJNWGXXKVUCEHQ-UHFFFAOYSA-N -1 3 297.362 3.004 20 0 CGADHM c1cnc(N[C@@H]2CC[C@H]3CCCC[C@H]3C2)c(-c2nnn[n-]2)c1 ZINC000823809018 599435194 /nfs/dbraw/zinc/43/51/94/599435194.db2.gz HRCRNWRNTCOOFO-FRRDWIJNSA-N -1 3 298.394 3.033 20 0 CGADHM c1cnc(N[C@@H]2CC[C@H]3CCCC[C@H]3C2)c(-c2nn[n-]n2)c1 ZINC000823809018 599435197 /nfs/dbraw/zinc/43/51/97/599435197.db2.gz HRCRNWRNTCOOFO-FRRDWIJNSA-N -1 3 298.394 3.033 20 0 CGADHM C[C@@H](Nc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1 ZINC000820456960 599543911 /nfs/dbraw/zinc/54/39/11/599543911.db2.gz XUVFDDDMCDTKBM-SNVBAGLBSA-N -1 3 283.310 3.179 20 0 CGADHM C[C@@H](Nc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000820456960 599543912 /nfs/dbraw/zinc/54/39/12/599543912.db2.gz XUVFDDDMCDTKBM-SNVBAGLBSA-N -1 3 283.310 3.179 20 0 CGADHM CC1(C)CCC(Nc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000820589969 599578804 /nfs/dbraw/zinc/57/88/04/599578804.db2.gz OFKDHSGKEBOOFR-UHFFFAOYSA-N -1 3 271.368 3.247 20 0 CGADHM C[C@@H](c1cccc(O)c1)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000086725351 600146485 /nfs/dbraw/zinc/14/64/85/600146485.db2.gz PFYRDTVADSGSRS-LBPRGKRZSA-N -1 3 285.343 3.283 20 0 CGADHM Cc1ncc(CN[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])s1 ZINC000833008574 601203342 /nfs/dbraw/zinc/20/33/42/601203342.db2.gz JZAZTPRGJBAYKB-QMTHXVAHSA-N -1 3 290.388 3.003 20 0 CGADHM CCN(Cc1ccoc1C(=O)[O-])[C@@H](C)c1cccc(O)c1 ZINC000829734987 601375418 /nfs/dbraw/zinc/37/54/18/601375418.db2.gz YTHDRLWBFCTQED-NSHDSACASA-N -1 3 289.331 3.267 20 0 CGADHM O=C([O-])CC1(NCc2nc3ccccc3o2)CCCCC1 ZINC000833206059 601554499 /nfs/dbraw/zinc/55/44/99/601554499.db2.gz WZIOIPOVGGUDHW-UHFFFAOYSA-N -1 3 288.347 3.095 20 0 CGADHM CC[C@](C)(CC(=O)[O-])NCc1csc(-c2ccoc2)n1 ZINC000828671546 601557389 /nfs/dbraw/zinc/55/73/89/601557389.db2.gz FIHYWYIDRVZYLX-CQSZACIVSA-N -1 3 294.376 3.136 20 0 CGADHM Cc1cccc2c1CCN(Cc1ccsc1C(=O)[O-])C2 ZINC000832975462 601823414 /nfs/dbraw/zinc/82/34/14/601823414.db2.gz WJGBOJRESDFQFH-UHFFFAOYSA-N -1 3 287.384 3.313 20 0 CGADHM COc1ccc(CSC2CCCC2)cc1-c1nnn[n-]1 ZINC000826207184 607540572 /nfs/dbraw/zinc/54/05/72/607540572.db2.gz DDNYMPCXPOMNDS-UHFFFAOYSA-N -1 3 290.392 3.051 20 0 CGADHM COc1ccc(CSC2CCCC2)cc1-c1nn[n-]n1 ZINC000826207184 607540574 /nfs/dbraw/zinc/54/05/74/607540574.db2.gz DDNYMPCXPOMNDS-UHFFFAOYSA-N -1 3 290.392 3.051 20 0 CGADHM CC[C@](C)(CC(=O)[O-])NCc1coc(-c2cccs2)n1 ZINC000828665136 602216886 /nfs/dbraw/zinc/21/68/86/602216886.db2.gz OQXQXYDOSWVZNJ-CQSZACIVSA-N -1 3 294.376 3.136 20 0 CGADHM CC[C@@](C)(CC(=O)[O-])NCc1csc(CCC(C)C)n1 ZINC000828671931 602216925 /nfs/dbraw/zinc/21/69/25/602216925.db2.gz IRYSDSLKBFZHRK-HNNXBMFYSA-N -1 3 298.452 3.465 20 0 CGADHM C[C@H](NCc1ccc([C@H](C)NC(=O)[O-])cc1)c1ccncc1 ZINC000825501963 604304207 /nfs/dbraw/zinc/30/42/07/604304207.db2.gz GDYBPZQCCCVUQW-STQMWFEESA-N -1 3 299.374 3.261 20 0 CGADHM CN(Cc1c[nH]c(C(=O)[O-])c1)Cc1ccc2ccccc2c1 ZINC000833694221 604520779 /nfs/dbraw/zinc/52/07/79/604520779.db2.gz FMLLFVWZGCESRD-UHFFFAOYSA-N -1 3 294.354 3.498 20 0 CGADHM C[C@@H](N[C@@H](C(=O)[O-])c1cccnc1)c1ccc(Cl)cc1 ZINC000827717902 604985224 /nfs/dbraw/zinc/98/52/24/604985224.db2.gz MSHOQDUPFVLHDR-QMTHXVAHSA-N -1 3 290.750 3.212 20 0 CGADHM CC1(C)c2ccccc2CCN1Cc1ccc(C(=O)[O-])o1 ZINC000833563730 605021050 /nfs/dbraw/zinc/02/10/50/605021050.db2.gz MOFDTVQPAUJOJM-UHFFFAOYSA-N -1 3 285.343 3.271 20 0 CGADHM C/C(=C\CN[C@H](C)c1ccccc1OC(C)C)C(=O)[O-] ZINC000833385371 605069243 /nfs/dbraw/zinc/06/92/43/605069243.db2.gz SGWQYKGXQXLYPQ-CNELAYHGSA-N -1 3 277.364 3.155 20 0 CGADHM CC1=C(C(=O)[O-])C[C@H](CN[C@@H](C)c2ccccc2Cl)O1 ZINC000833576451 605384595 /nfs/dbraw/zinc/38/45/95/605384595.db2.gz APMKAJAPNFKXFS-GXSJLCMTSA-N -1 3 295.766 3.138 20 0 CGADHM Cc1nc([C@@H](C)NCCCN(C(=O)[O-])C(C)C)c(C)s1 ZINC000830708461 605501637 /nfs/dbraw/zinc/50/16/37/605501637.db2.gz ARPQNLWBKBWFRS-SNVBAGLBSA-N -1 3 299.440 3.189 20 0 CGADHM CC[C@H](N[C@H](C)C[C@H]1CCCN1C(=O)[O-])c1nccs1 ZINC000826612697 605507162 /nfs/dbraw/zinc/50/71/62/605507162.db2.gz ALGHOGABPSWKJN-UTUOFQBUSA-N -1 3 297.424 3.105 20 0 CGADHM CC[C@H](N[C@H](C)C[C@@H]1CCCN1C(=O)[O-])c1nccs1 ZINC000826612698 605507205 /nfs/dbraw/zinc/50/72/05/605507205.db2.gz ALGHOGABPSWKJN-WOPDTQHZSA-N -1 3 297.424 3.105 20 0 CGADHM Clc1cccc(CNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000037102143 606659482 /nfs/dbraw/zinc/65/94/82/606659482.db2.gz PIMZWAXXYYACEL-UHFFFAOYSA-N -1 3 285.738 3.132 20 0 CGADHM Clc1cccc(CNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000037102143 606659483 /nfs/dbraw/zinc/65/94/83/606659483.db2.gz PIMZWAXXYYACEL-UHFFFAOYSA-N -1 3 285.738 3.132 20 0 CGADHM c1cc(S[C@@H]2C=CCCC2)cc(-c2nnn[n-]2)c1 ZINC000819718235 607010958 /nfs/dbraw/zinc/01/09/58/607010958.db2.gz BQRANSZSSCFHPO-LLVKDONJSA-N -1 3 258.350 3.068 20 0 CGADHM c1cc(S[C@@H]2C=CCCC2)cc(-c2nn[n-]n2)c1 ZINC000819718235 607010960 /nfs/dbraw/zinc/01/09/60/607010960.db2.gz BQRANSZSSCFHPO-LLVKDONJSA-N -1 3 258.350 3.068 20 0 CGADHM O=C(Cc1ccccc1Cl)[N-]OCc1ccccc1 ZINC000070271337 617953530 /nfs/dbraw/zinc/95/35/30/617953530.db2.gz WLWSYIGBYBOYIC-UHFFFAOYSA-N -1 3 275.735 3.131 20 0 CGADHM CC1(C)SC[C@@H]1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000283392751 618397453 /nfs/dbraw/zinc/39/74/53/618397453.db2.gz PRRLZXXCAFNDSE-AWEZNQCLSA-N -1 3 287.384 3.169 20 0 CGADHM CCn1ccnc1[C@H](C)N[C@H](C)c1cc([O-])cc(F)c1 ZINC000926533156 618727883 /nfs/dbraw/zinc/72/78/83/618727883.db2.gz OMYPRJBEBDZTON-MNOVXSKESA-N -1 3 277.343 3.160 20 0 CGADHM Cc1oc(C(=O)[O-])cc1CN[C@H](C)c1ccccc1C ZINC000235191083 618737665 /nfs/dbraw/zinc/73/76/65/618737665.db2.gz ONUAFQJSTAHTHL-LLVKDONJSA-N -1 3 273.332 3.445 20 0 CGADHM O=C(C[C@H]1CCCC1(F)F)[N-]OC1CCCCC1 ZINC000935500778 618816017 /nfs/dbraw/zinc/81/60/17/618816017.db2.gz YPWMIBXTZSGTOP-SNVBAGLBSA-N -1 3 261.312 3.192 20 0 CGADHM O=c1cc(N[C@@H]2CC3(CCC3)Oc3ccccc32)nc[n-]1 ZINC000892899757 618950135 /nfs/dbraw/zinc/95/01/35/618950135.db2.gz MTGCXHAKZUYFNG-GFCCVEGCSA-N -1 3 283.331 3.041 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2ccc(N(C)C)cc2)c1 ZINC000012554987 618970534 /nfs/dbraw/zinc/97/05/34/618970534.db2.gz YZXGNFWGCKCHGR-UHFFFAOYSA-N -1 3 270.332 3.019 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])c1ccc[nH]c1=S ZINC000067145527 619376394 /nfs/dbraw/zinc/37/63/94/619376394.db2.gz GWNCVQMHTFASBJ-UHFFFAOYSA-N -1 3 280.736 3.355 20 0 CGADHM CSCCO[N-]C(=O)[C@@H](C)CCCc1ccccc1 ZINC000794189566 619740446 /nfs/dbraw/zinc/74/04/46/619740446.db2.gz CWFJBNMESSCZHI-ZDUSSCGKSA-N -1 3 281.421 3.056 20 0 CGADHM CC1(C)[C@H](C(=O)[N-]OCc2ccccn2)[C@H]1c1ccccc1 ZINC000909517410 619808591 /nfs/dbraw/zinc/80/85/91/619808591.db2.gz GHLQGGDGSYLWTL-CVEARBPZSA-N -1 3 296.370 3.069 20 0 CGADHM COc1cccc2c1CN(Cc1ccc([O-])c(F)c1)C2 ZINC000895635431 619862367 /nfs/dbraw/zinc/86/23/67/619862367.db2.gz UVIDXPKEKRZAMK-UHFFFAOYSA-N -1 3 273.307 3.056 20 0 CGADHM COC[C@@H](N[C@H](C)c1cc([O-])cc(F)c1)c1ccc(C)o1 ZINC000925205147 620229577 /nfs/dbraw/zinc/22/95/77/620229577.db2.gz OALZCJCLSNWYHZ-IAQYHMDHSA-N -1 3 293.338 3.471 20 0 CGADHM COC[C@H](N[C@H](C)c1cc([O-])cc(F)c1)c1ccc(C)o1 ZINC000925205146 620229787 /nfs/dbraw/zinc/22/97/87/620229787.db2.gz OALZCJCLSNWYHZ-ABAIWWIYSA-N -1 3 293.338 3.471 20 0 CGADHM CC(C)(/C=C/Cl)NC(=O)c1cc([O-])ccc1Cl ZINC000928928585 620266458 /nfs/dbraw/zinc/26/64/58/620266458.db2.gz GURRMBWHQLENQR-AATRIKPKSA-N -1 3 274.147 3.307 20 0 CGADHM CC[C@H](C)CCCCC(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000898217191 620488954 /nfs/dbraw/zinc/48/89/54/620488954.db2.gz FRMKPNXVGNROLZ-STQMWFEESA-N -1 3 293.411 3.038 20 0 CGADHM CC(C)c1c[nH]c(C=Cc2nc(C(F)(F)F)cc(=O)[n-]2)n1 ZINC000901532305 620915809 /nfs/dbraw/zinc/91/58/09/620915809.db2.gz PZKXCKMKUVNLQI-ONEGZZNKSA-N -1 3 298.268 3.218 20 0 CGADHM O=C([O-])CCCN(Cc1ccoc1)Cc1ccccc1 ZINC000901801058 621032293 /nfs/dbraw/zinc/03/22/93/621032293.db2.gz ADHHMUJJRMXSQD-UHFFFAOYSA-N -1 3 273.332 3.147 20 0 CGADHM C[C@H](N[C@H]1CC[C@H]1C1CCC1)c1ncc(C(=O)[O-])s1 ZINC000901907955 621066494 /nfs/dbraw/zinc/06/64/94/621066494.db2.gz 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ZINC000754453051 626572454 /nfs/dbraw/zinc/57/24/54/626572454.db2.gz XOLSPQMNTKYHNY-UHFFFAOYSA-N -1 3 298.371 3.035 20 0 CGADHM Cc1ccc(C(=O)NOCc2ccc(F)cc2)c([O-])c1C ZINC000757591009 626791314 /nfs/dbraw/zinc/79/13/14/626791314.db2.gz CKIQLBQOTHPJCR-UHFFFAOYSA-N -1 3 289.306 3.010 20 0 CGADHM O=c1ccnc(C=Cc2ccc(C(F)(F)F)s2)[n-]1 ZINC000761480800 627044870 /nfs/dbraw/zinc/04/48/70/627044870.db2.gz UETLQCWPZTWCFV-RQOWECAXSA-N -1 3 272.251 3.433 20 0 CGADHM Cc1cc(=O)[n-]c(CN2CC[C@H](C)C[C@@H]2c2ccco2)n1 ZINC000761887919 627072415 /nfs/dbraw/zinc/07/24/15/627072415.db2.gz RJDLNCKRZNBAGG-WCQYABFASA-N -1 3 287.363 3.057 20 0 CGADHM COc1ccc(C=Cc2nccc(=O)[n-]2)cc1Cl ZINC000764433073 627206959 /nfs/dbraw/zinc/20/69/59/627206959.db2.gz BDZHNZDRARSQET-HYXAFXHYSA-N -1 3 262.696 3.015 20 0 CGADHM CC1(C)C[C@@H]([N-]C(=O)C(F)(F)C(F)F)c2ccccc21 ZINC000770729326 627639620 /nfs/dbraw/zinc/63/96/20/627639620.db2.gz SFLKCUIZHDZKLK-SNVBAGLBSA-N -1 3 289.272 3.426 20 0 CGADHM CCOc1nc(C(=O)[N-]c2cc(Cl)ccc2F)co1 ZINC000771963904 627750262 /nfs/dbraw/zinc/75/02/62/627750262.db2.gz HNYRWNNSSDIENQ-UHFFFAOYSA-N -1 3 284.674 3.118 20 0 CGADHM O=C(CCc1ccc(Cl)cc1)[N-]OC1CCCC1 ZINC000774862931 628042828 /nfs/dbraw/zinc/04/28/28/628042828.db2.gz ICAMOIIZKAJCMV-UHFFFAOYSA-N -1 3 267.756 3.263 20 0 CGADHM O=C(CCCOc1ccc(Cl)cc1)[N-]OC1CCCC1 ZINC000774866324 628043418 /nfs/dbraw/zinc/04/34/18/628043418.db2.gz NYWLEMSRIIMYPD-UHFFFAOYSA-N -1 3 297.782 3.489 20 0 CGADHM CC(C)=C[C@@H]1[C@H](C(=O)[N-]OC2CCCC2)C1(C)C ZINC000774875462 628046118 /nfs/dbraw/zinc/04/61/18/628046118.db2.gz SCRNKDKFFOXDBQ-CHWSQXEVSA-N -1 3 251.370 3.215 20 0 CGADHM COc1ccccc1CC(C)(C)C(=O)[N-]OC1CCCC1 ZINC000775272180 628076647 /nfs/dbraw/zinc/07/66/47/628076647.db2.gz BSRBYEOVNKBILA-UHFFFAOYSA-N -1 3 291.391 3.254 20 0 CGADHM O=C([N-]OC1CCCC1)C1(Cc2ccccc2)CCC1 ZINC000775278718 628077372 /nfs/dbraw/zinc/07/73/72/628077372.db2.gz GFZXUJQMJWMHIM-UHFFFAOYSA-N -1 3 273.376 3.390 20 0 CGADHM O=C1[N-]C(=O)C(=Cc2csc(C(F)(F)F)c2)S1 ZINC000874929860 634650871 /nfs/dbraw/zinc/65/08/71/634650871.db2.gz RTWPTDDWWJKGMI-KTAJNNJTSA-N -1 3 279.264 3.091 20 0 CGADHM Cc1cc(Br)ccc1C=C1SC(=O)[N-]C1=O ZINC000874928718 634654109 /nfs/dbraw/zinc/65/41/09/634654109.db2.gz QZSZQZLNPFYRFK-WEVVVXLNSA-N -1 3 298.161 3.081 20 0 CGADHM CCc1ccccc1CO[N-]C(=O)Cc1ccc(C)cc1 ZINC000783554890 628724997 /nfs/dbraw/zinc/72/49/97/628724997.db2.gz NVKDGVPYOOJICU-UHFFFAOYSA-N -1 3 283.371 3.348 20 0 CGADHM CC(C)c1ncc(/C=C2/C(=O)[N-]C(=O)c3ccccc32)s1 ZINC000125300710 634678759 /nfs/dbraw/zinc/67/87/59/634678759.db2.gz RTGXIHROUZUZES-NTUHNPAUSA-N -1 3 298.367 3.077 20 0 CGADHM CCc1nc(COC(=O)c2cc3occc3[n-]2)cs1 ZINC000786030237 628909037 /nfs/dbraw/zinc/90/90/37/628909037.db2.gz MWCWKXXAPIROPT-UHFFFAOYSA-N -1 3 276.317 3.137 20 0 CGADHM O=C(OC[C@@H]1CCCCO1)c1cc2sccc2c([O-])c1 ZINC000786130699 628915666 /nfs/dbraw/zinc/91/56/66/628915666.db2.gz FKPAPRCBDGPSDR-NSHDSACASA-N -1 3 292.356 3.333 20 0 CGADHM CCc1ccc(C(=O)Nc2ccc(O)cc2F)c([O-])c1 ZINC000787251371 629004896 /nfs/dbraw/zinc/00/48/96/629004896.db2.gz NCAXFHWNCCPLPN-UHFFFAOYSA-N -1 3 275.279 3.052 20 0 CGADHM Cc1ccccc1[C@H](CC(F)(F)F)[N-]C(=O)C(F)F ZINC000787586219 629018262 /nfs/dbraw/zinc/01/82/62/629018262.db2.gz KEUNGKFJYQIDPH-VIFPVBQESA-N -1 3 281.224 3.370 20 0 CGADHM CC(C)Cc1ccccc1C(=O)Nc1ncccc1[O-] ZINC000790878484 629238709 /nfs/dbraw/zinc/23/87/09/629238709.db2.gz BMCGYOKWQVWKCK-UHFFFAOYSA-N -1 3 270.332 3.238 20 0 CGADHM CCCCCC(C)(C)C(=O)NCc1ncccc1[O-] ZINC000792610954 629370890 /nfs/dbraw/zinc/37/08/90/629370890.db2.gz VGUGSLRJUOUULA-UHFFFAOYSA-N -1 3 264.369 3.010 20 0 CGADHM CC/C(=C\C(=O)NCc1ncccc1[O-])c1ccc(C)cc1 ZINC000792621088 629371758 /nfs/dbraw/zinc/37/17/58/629371758.db2.gz RSDWHVFFDFUWFX-SDNWHVSQSA-N -1 3 296.370 3.205 20 0 CGADHM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000863001511 629457709 /nfs/dbraw/zinc/45/77/09/629457709.db2.gz HCVDYFFMTYEOKA-UZTWBRENSA-N -1 3 299.370 3.087 20 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20 0 CGADHM CC(C)(C)c1csc(CN[C@@H](CC(=O)[O-])C(C)(C)C)n1 ZINC000864510260 629849295 /nfs/dbraw/zinc/84/92/95/629849295.db2.gz TZUAKNDISRQNOW-JTQLQIEISA-N -1 3 298.452 3.420 20 0 CGADHM O=C(C[C@@H]1CCC(F)(F)C1)[N-]OCc1ccc(F)cc1 ZINC000797986345 630012453 /nfs/dbraw/zinc/01/24/53/630012453.db2.gz LWUPSRGHIJNKPF-NSHDSACASA-N -1 3 287.281 3.199 20 0 CGADHM O=C(OCCCCC1CCOCC1)c1ccc([O-])cc1 ZINC000798568349 630070147 /nfs/dbraw/zinc/07/01/47/630070147.db2.gz WWKPBGZKBMLAHJ-UHFFFAOYSA-N -1 3 278.348 3.146 20 0 CGADHM COc1ccccc1CO[N-]C(=O)C[C@@H]1CCCC[C@@H]1C ZINC000799095965 630141861 /nfs/dbraw/zinc/14/18/61/630141861.db2.gz NHFNUFIWFDQKMS-KBPBESRZSA-N -1 3 291.391 3.459 20 0 CGADHM O=C(c1cc([O-])c2ccccc2c1)N1CCC[C@H]2C[C@H]21 ZINC000804294430 630516903 /nfs/dbraw/zinc/51/69/03/630516903.db2.gz BKYGEWVMOUEMAK-SWLSCSKDSA-N -1 3 267.328 3.170 20 0 CGADHM O=C(OC1CCOCC1)c1cc2cc(Cl)sc2[n-]1 ZINC000810646229 630916338 /nfs/dbraw/zinc/91/63/38/630916338.db2.gz NSMJXLMXKVJIOD-UHFFFAOYSA-N -1 3 285.752 3.219 20 0 CGADHM O=C(Cc1ccccc1C(F)(F)F)[N-]OC/C=C/Cl ZINC000812408835 631248113 /nfs/dbraw/zinc/24/81/13/631248113.db2.gz SRGFOTOGPGIFOO-ZZXKWVIFSA-N -1 3 293.672 3.048 20 0 CGADHM O=C(Cc1ccc(-c2ccccc2)cc1)[N-]OC1CCC1 ZINC000812791768 631310545 /nfs/dbraw/zinc/31/05/45/631310545.db2.gz XBOZFDOPBYAQGD-UHFFFAOYSA-N -1 3 281.355 3.496 20 0 CGADHM CC[C@H](CC(=O)[N-]OCCOC(C)C)c1ccc(C)cc1 ZINC000812805313 631317064 /nfs/dbraw/zinc/31/70/64/631317064.db2.gz KEIAWCAPXLCQHJ-OAHLLOKOSA-N -1 3 293.407 3.352 20 0 CGADHM [O-]c1cccc(CN[C@H](CCO)c2cccs2)c1Cl ZINC000815125426 631722866 /nfs/dbraw/zinc/72/28/66/631722866.db2.gz FLWKDSMTPMIFOE-LLVKDONJSA-N -1 3 297.807 3.320 20 0 CGADHM CC(F)(F)C(=O)[N-][C@@H](c1nccs1)c1ccccc1 ZINC000815410351 631777968 /nfs/dbraw/zinc/77/79/68/631777968.db2.gz ZTDHQMYXRQMOKW-SNVBAGLBSA-N -1 3 282.315 3.004 20 0 CGADHM CN(Cc1ccsc1)Cc1c(F)ccc([O-])c1F ZINC000816482391 631988973 /nfs/dbraw/zinc/98/89/73/631988973.db2.gz DHTGRSBKNJAGSZ-UHFFFAOYSA-N -1 3 269.316 3.364 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)C1(Cc2ccccc2F)CC1 ZINC000816981511 632070007 /nfs/dbraw/zinc/07/00/07/632070007.db2.gz PCYKRJDNOHUILT-LBPRGKRZSA-N -1 3 279.355 3.242 20 0 CGADHM C[C@@H]1C[C@@H]1c1ccc(CCC(=O)[N-]OCCC2CC2)o1 ZINC000817387886 632135748 /nfs/dbraw/zinc/13/57/48/632135748.db2.gz ILVARAKXZAQCKH-RISCZKNCSA-N -1 3 277.364 3.184 20 0 CGADHM CCSc1ccc(CC(=O)[N-]OCCC2CC2)cc1 ZINC000817421342 632147530 /nfs/dbraw/zinc/14/75/30/632147530.db2.gz YFCTUKAGMDDBDO-UHFFFAOYSA-N -1 3 279.405 3.189 20 0 CGADHM Cc1ccc([C@H](NC(=O)c2ccc(N)cc2[O-])C2CC2)cc1 ZINC000817910836 632234064 /nfs/dbraw/zinc/23/40/64/632234064.db2.gz LEUFHXDNKZAWQG-KRWDZBQOSA-N -1 3 296.370 3.164 20 0 CGADHM CC(C)CCN(C(=O)c1ccc(N)cc1[O-])C1CCCC1 ZINC000817918155 632235110 /nfs/dbraw/zinc/23/51/10/632235110.db2.gz ITEXJKUWGSLZFD-UHFFFAOYSA-N -1 3 290.407 3.405 20 0 CGADHM CCOCC(C)(C)NC(=O)c1cc2sccc2c([O-])c1 ZINC000818027991 632280233 /nfs/dbraw/zinc/28/02/33/632280233.db2.gz WLQPHWFEODFUMS-UHFFFAOYSA-N -1 3 293.388 3.152 20 0 CGADHM CCCO[N-]C(=O)CCC[C@@H](C)c1cccc(OC)c1 ZINC000844087277 635818620 /nfs/dbraw/zinc/81/86/20/635818620.db2.gz KHSHFHARLFSEDG-CYBMUJFWSA-N -1 3 279.380 3.427 20 0 CGADHM C/C(=C/C(=O)Nc1c([O-])cccc1Cl)C1CC1 ZINC000820509297 632639902 /nfs/dbraw/zinc/63/99/02/632639902.db2.gz DFBNREQYTHXHST-FPLPWBNLSA-N -1 3 251.713 3.340 20 0 CGADHM CC(C)OC1(C(=O)Nc2ccc(Cl)cc2[O-])CCC1 ZINC000821344065 632755720 /nfs/dbraw/zinc/75/57/20/632755720.db2.gz FZHGLFBXMYJUOT-UHFFFAOYSA-N -1 3 283.755 3.332 20 0 CGADHM Cc1ccc(NC=C2C(=O)[N-]C(=O)c3ccccc32)cc1C ZINC000016718909 633261493 /nfs/dbraw/zinc/26/14/93/633261493.db2.gz RFGTUJFZZBCUBT-MHWRWJLKSA-N -1 3 292.338 3.026 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CCC[C@@H](c2cccnc2)C1 ZINC000869046307 633394715 /nfs/dbraw/zinc/39/47/15/633394715.db2.gz JNBJNVZNERQUAT-OAHLLOKOSA-N -1 3 296.370 3.115 20 0 CGADHM O=C(OCc1coc(C2CC2)n1)c1cccc(Cl)c1[O-] ZINC000869465624 633448042 /nfs/dbraw/zinc/44/80/42/633448042.db2.gz CZAQXZODEUQSQN-UHFFFAOYSA-N -1 3 293.706 3.268 20 0 CGADHM CO[C@@H]1CC[C@H](C)N(C(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000870723881 633635812 /nfs/dbraw/zinc/63/58/12/633635812.db2.gz HNUBXYTVQOVXFY-SWLSCSKDSA-N -1 3 299.370 3.185 20 0 CGADHM O=C(Nc1cccc([O-])c1F)c1conc1C1CCCC1 ZINC000867059212 633670606 /nfs/dbraw/zinc/67/06/06/633670606.db2.gz TWZVUNTXRNFLRG-UHFFFAOYSA-N -1 3 290.294 3.429 20 0 CGADHM CC(C)(C)C(=O)CCCC(=O)[N-]OC1CCCCC1 ZINC000829053298 633684771 /nfs/dbraw/zinc/68/47/71/633684771.db2.gz XULTZDUZJPDSBP-UHFFFAOYSA-N -1 3 269.385 3.152 20 0 CGADHM CCC1(C(=O)[N-]OCCCC(F)(F)F)CCCC1 ZINC000871213654 633728693 /nfs/dbraw/zinc/72/86/93/633728693.db2.gz XBVFMGILOFOUEC-UHFFFAOYSA-N -1 3 267.291 3.347 20 0 CGADHM CC(C)C[C@H](C)C(=O)[N-]OCCCC(F)(F)F ZINC000871215073 633730164 /nfs/dbraw/zinc/73/01/64/633730164.db2.gz MYNTYTJZJPSONV-VIFPVBQESA-N -1 3 255.280 3.059 20 0 CGADHM O=C(CCC1CCCCC1)[N-]OCc1coc(C2CC2)n1 ZINC000871732203 633846080 /nfs/dbraw/zinc/84/60/80/633846080.db2.gz URVDLMBGEYAFHA-UHFFFAOYSA-N -1 3 292.379 3.460 20 0 CGADHM CCc1[n-]n(-c2ccnc(Cl)c2)c(=O)c1C(C)C ZINC000871953082 633925387 /nfs/dbraw/zinc/92/53/87/633925387.db2.gz AEOLOYJIPKSJFH-GFCCVEGCSA-N -1 3 265.744 3.120 20 0 CGADHM CCc1cc(NC([O-])=NO[C@@H]2CCCCO2)ccc1C ZINC000121398192 633954233 /nfs/dbraw/zinc/95/42/33/633954233.db2.gz UEKGUASNNJEUFU-CQSZACIVSA-N -1 3 278.352 3.137 20 0 CGADHM CCc1cc(NC(=O)[N-]O[C@@H]2CCCCO2)ccc1C ZINC000121398192 633954241 /nfs/dbraw/zinc/95/42/41/633954241.db2.gz UEKGUASNNJEUFU-CQSZACIVSA-N -1 3 278.352 3.137 20 0 CGADHM CCc1noc(CC)c1CN[C@@H](C)c1cccc([O-])c1F ZINC000872040995 633961900 /nfs/dbraw/zinc/96/19/00/633961900.db2.gz DVYALTBFRHUTMP-JTQLQIEISA-N -1 3 292.354 3.495 20 0 CGADHM C[C@@H](N[C@H](C)C(F)(F)F)c1cccc([O-])c1F ZINC000872071416 633985218 /nfs/dbraw/zinc/98/52/18/633985218.db2.gz OUPPZGKCFIXSGX-RNFRBKRXSA-N -1 3 251.223 3.133 20 0 CGADHM Cc1cc(C)c(CN[C@H](C)c2cccc([O-])c2F)cn1 ZINC000872079146 634002827 /nfs/dbraw/zinc/00/28/27/634002827.db2.gz VIVQVLGXTYLPBV-GFCCVEGCSA-N -1 3 274.339 3.394 20 0 CGADHM O=C(Cc1ccccc1OC1CCCC1)[N-]OCC1CC1 ZINC000837669440 634962715 /nfs/dbraw/zinc/96/27/15/634962715.db2.gz CYSOJKMETKYXOO-UHFFFAOYSA-N -1 3 289.375 3.008 20 0 CGADHM CC1(C)CCC[C@H](OC(=O)c2cc3occc3[n-]2)C1=O ZINC000840523568 635019186 /nfs/dbraw/zinc/01/91/86/635019186.db2.gz NFKDTVZHVOKDBB-NSHDSACASA-N -1 3 275.304 3.066 20 0 CGADHM CC(C)(CC(=O)Nc1ncccc1[O-])CC(F)(F)F ZINC000877981650 635303990 /nfs/dbraw/zinc/30/39/90/635303990.db2.gz USODCXKUJUSBKE-UHFFFAOYSA-N -1 3 276.258 3.094 20 0 CGADHM CC(=O)c1cccc(CSCc2nc(C)cc(=O)[n-]2)c1 ZINC000842175492 635306036 /nfs/dbraw/zinc/30/60/36/635306036.db2.gz RSRFFBKRTPOFSR-UHFFFAOYSA-N -1 3 288.372 3.127 20 0 CGADHM Cc1ccc(F)c(CSCc2nc(C)cc(=O)[n-]2)c1 ZINC000842175571 635306062 /nfs/dbraw/zinc/30/60/62/635306062.db2.gz UOSQQKSXKQQKMZ-UHFFFAOYSA-N -1 3 278.352 3.372 20 0 CGADHM CC(=O)c1cccc(NC(=O)[C@H](C)c2ccc(C)o2)c1[O-] ZINC000843887326 635792082 /nfs/dbraw/zinc/79/20/82/635792082.db2.gz WKSHFBBKQNWGSL-SNVBAGLBSA-N -1 3 287.315 3.238 20 0 CGADHM CCCO[N-]C(=O)C[C@@H]1C[C@@H](C)c2c1cccc2C ZINC000844087098 635818018 /nfs/dbraw/zinc/81/80/18/635818018.db2.gz HWYQLTKWTVBNNS-OLZOCXBDSA-N -1 3 261.365 3.434 20 0 CGADHM Cc1ccc(CN[C@H](CC(F)(F)F)C(=O)[O-])c(Cl)c1 ZINC000844290226 635860641 /nfs/dbraw/zinc/86/06/41/635860641.db2.gz JRLYQFZDDFTKQX-SNVBAGLBSA-N -1 3 295.688 3.144 20 0 CGADHM O=C(CC[C@@H]1CCc2ccccc21)[N-]OC/C=C/Cl ZINC000880061301 635906680 /nfs/dbraw/zinc/90/66/80/635906680.db2.gz ZXLXTDITWPLNQA-DQPCJIFYSA-N -1 3 279.767 3.297 20 0 CGADHM Cc1cc2scc(CC(=O)[N-]OCC3CC3)c2s1 ZINC000880109988 635915903 /nfs/dbraw/zinc/91/59/03/635915903.db2.gz CTBVBTRFUMLOMM-UHFFFAOYSA-N -1 3 281.402 3.272 20 0 CGADHM C[C@H](O)[C@@H]([N-]c1nnc(C(C)(C)C)o1)c1ccccc1F ZINC000882522973 636348414 /nfs/dbraw/zinc/34/84/14/636348414.db2.gz GRGUVYFJBDVWLT-JOYOIKCWSA-N -1 3 293.342 3.040 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)CCCc1c(F)cccc1F ZINC000848120452 636533092 /nfs/dbraw/zinc/53/30/92/636533092.db2.gz HLZNTZNSAGGPFE-NSHDSACASA-N -1 3 285.334 3.381 20 0 CGADHM Nc1ccc(C(=O)N2CCC[C@@H]2CC2CCCC2)c([O-])c1 ZINC000848441981 636577570 /nfs/dbraw/zinc/57/75/70/636577570.db2.gz CSCIIXFZMYNMEQ-CQSZACIVSA-N -1 3 288.391 3.159 20 0 CGADHM O=C([O-])[C@H]1CCCCCN1Cc1cc2ccccc2o1 ZINC000086814456 636785851 /nfs/dbraw/zinc/78/58/51/636785851.db2.gz DFJXKRPKQBMDNT-CQSZACIVSA-N -1 3 273.332 3.262 20 0 CGADHM COc1ccc([C@@H]2CCCN2C/C=C(/C)C(=O)[O-])cc1F ZINC000849346181 636816573 /nfs/dbraw/zinc/81/65/73/636816573.db2.gz QEXVBMCWJHNBQS-JOHMGYAOSA-N -1 3 293.338 3.002 20 0 CGADHM COc1ccc([C@H]2CCCN2C/C=C(/C)C(=O)[O-])cc1F ZINC000849346185 636816845 /nfs/dbraw/zinc/81/68/45/636816845.db2.gz QEXVBMCWJHNBQS-SMJHDNPOSA-N -1 3 293.338 3.002 20 0 CGADHM C[C@@H]1C[C@@H]1c1ccc(CCC(=O)[N-]OC2CCCC2)o1 ZINC000135354741 637120870 /nfs/dbraw/zinc/12/08/70/637120870.db2.gz VWACVMOQCQTSDG-RISCZKNCSA-N -1 3 277.364 3.326 20 0 CGADHM C[C@H](NCc1cc(C2CC2)no1)c1cccc([O-])c1F ZINC000886685780 637651109 /nfs/dbraw/zinc/65/11/09/637651109.db2.gz BTYIJIUTWNRIRO-VIFPVBQESA-N -1 3 276.311 3.248 20 0 CGADHM Cc1ccc(CN2CCCC[C@@H]2CCC(=O)[O-])c(Cl)n1 ZINC000852729732 637702489 /nfs/dbraw/zinc/70/24/89/637702489.db2.gz APYFSYUKCZNATE-CYBMUJFWSA-N -1 3 296.798 3.263 20 0 CGADHM CCc1ccc(C(=O)N(Cc2ccoc2)C2CC2)c([O-])c1 ZINC000889092284 637972216 /nfs/dbraw/zinc/97/22/16/637972216.db2.gz YMXIDKQYLRWETQ-UHFFFAOYSA-N -1 3 285.343 3.352 20 0 CGADHM Cc1ccc(C(=O)N2CCCSC[C@@H]2C2CC2)c([O-])c1 ZINC000888490708 638207257 /nfs/dbraw/zinc/20/72/57/638207257.db2.gz FBYMUBYILKEMDT-CQSZACIVSA-N -1 3 291.416 3.058 20 0 CGADHM CC(C)(F)CCNC(=O)c1cc2sccc2c([O-])c1 ZINC000855746339 638243417 /nfs/dbraw/zinc/24/34/17/638243417.db2.gz ZZFWRUUWRIQHAC-UHFFFAOYSA-N -1 3 281.352 3.475 20 0 CGADHM CC(C)c1ccc(C(=O)NCC2SCCS2)c([O-])c1 ZINC000856162226 638309240 /nfs/dbraw/zinc/30/92/40/638309240.db2.gz RJMQYQAADAVPFT-UHFFFAOYSA-N -1 3 297.445 3.052 20 0 CGADHM Cc1ccc(C)c(C(=O)CCC(=O)[N-]OCC2CCC2)c1 ZINC000856343202 638344869 /nfs/dbraw/zinc/34/48/69/638344869.db2.gz YMVVITIETMOHPG-UHFFFAOYSA-N -1 3 289.375 3.114 20 0 CGADHM Cc1ccc2c(CC(=O)[N-]OCC3CCC3)coc2c1 ZINC000856343112 638344885 /nfs/dbraw/zinc/34/48/85/638344885.db2.gz VEUGIZUKEFWBOT-UHFFFAOYSA-N -1 3 273.332 3.132 20 0 CGADHM Cc1ccc(C(=O)N(Cc2ccccn2)CC(C)C)c([O-])c1 ZINC000928741111 638890540 /nfs/dbraw/zinc/89/05/40/638890540.db2.gz SVATZFGWOSGWCK-UHFFFAOYSA-N -1 3 298.386 3.394 20 0 CGADHM CCO[C@H](COC(=O)c1cccc(Cl)c1[O-])C1CC1 ZINC000859625214 639175985 /nfs/dbraw/zinc/17/59/85/639175985.db2.gz OMMIDAVCOKHDHW-GFCCVEGCSA-N -1 3 284.739 3.018 20 0 CGADHM CCCN(CCC)Cn1[n-]c(-c2ccccn2)nc1=S ZINC000117319120 639311999 /nfs/dbraw/zinc/31/19/99/639311999.db2.gz CYIZPPURZQNHQK-UHFFFAOYSA-N -1 3 291.424 3.082 20 0 CGADHM CCOc1cccc(CCC(=O)[N-]OC2CCCCC2)c1 ZINC000860992401 639483287 /nfs/dbraw/zinc/48/32/87/639483287.db2.gz MKBAMKVDYLZFMR-UHFFFAOYSA-N -1 3 291.391 3.398 20 0 CGADHM O=C(C[C@@H]1CC[C@H](C2CC2)O1)Nc1cc(Cl)ccc1[O-] ZINC000935017038 639730887 /nfs/dbraw/zinc/73/08/87/639730887.db2.gz NDESMWPNWXHAKE-SMDDNHRTSA-N -1 3 295.766 3.332 20 0 CGADHM O=C(C[C@@H]1CC[C@H](C2CC2)O1)Nc1ccc(Cl)cc1[O-] ZINC000935098891 639748613 /nfs/dbraw/zinc/74/86/13/639748613.db2.gz DGQGYBTWFUEMRD-SMDDNHRTSA-N -1 3 295.766 3.332 20 0 CGADHM O=C(C=C1CCSCC1)Nc1ccc(Cl)cc1[O-] ZINC000089343610 640641458 /nfs/dbraw/zinc/64/14/58/640641458.db2.gz GCHOVGBXPDOZPK-UHFFFAOYSA-N -1 3 283.780 3.438 20 0 CGADHM [O-]c1ccc(-c2ccnc3ccnn32)cc1C(F)(F)F ZINC001250479800 805642867 /nfs/dbraw/zinc/64/28/67/805642867.db2.gz UDEGACWXIVOWBN-UHFFFAOYSA-N -1 3 279.221 3.121 20 0 CGADHM Cc1ccc(C(=O)NCC[C@@H]2CCC(C)(C)CO2)c([O-])c1 ZINC001157529944 805826927 /nfs/dbraw/zinc/82/69/27/805826927.db2.gz FOXXLYWGUFGDEQ-ZDUSSCGKSA-N -1 3 291.391 3.026 20 0 CGADHM Cc1cc(C)c([N-]S(=O)(=O)c2ccccc2)cc1C ZINC001251149355 805855257 /nfs/dbraw/zinc/85/52/57/805855257.db2.gz VOGZKCKBUGGUHM-UHFFFAOYSA-N -1 3 275.373 3.413 20 0 CGADHM COc1ccc(-c2nnc(-c3ccc(C)cc3[O-])o2)cc1 ZINC001251954258 805955520 /nfs/dbraw/zinc/95/55/20/805955520.db2.gz GILWLTSWBAAHSM-UHFFFAOYSA-N -1 3 282.299 3.426 20 0 CGADHM CCOc1ccc(-c2nnc(-c3cc(O)ccc3[O-])o2)cc1 ZINC001252138024 806023009 /nfs/dbraw/zinc/02/30/09/806023009.db2.gz VGRWCJPIQSFLMV-UHFFFAOYSA-N -1 3 298.298 3.214 20 0 CGADHM Cc1ccc(-c2nnc(-c3ccc(N(C)C)cc3)o2)c([O-])c1 ZINC001252279556 806035236 /nfs/dbraw/zinc/03/52/36/806035236.db2.gz HSKSCHPCHOJQNK-UHFFFAOYSA-N -1 3 295.342 3.484 20 0 CGADHM Cc1oc(C)c(C(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)c1C ZINC001159056302 806036199 /nfs/dbraw/zinc/03/61/99/806036199.db2.gz QBYYYNZILJOURI-UHFFFAOYSA-N -1 3 285.303 3.039 20 0 CGADHM Cc1cccc(C(=O)Nc2nc(CC(C)C)co2)c1[O-] ZINC001159190643 806056977 /nfs/dbraw/zinc/05/69/77/806056977.db2.gz RMXJQZVILNNARH-UHFFFAOYSA-N -1 3 274.320 3.139 20 0 CGADHM Cc1ccc(-c2nnc(Cc3ccc([O-])cc3F)o2)cc1 ZINC001252641574 806096480 /nfs/dbraw/zinc/09/64/80/806096480.db2.gz AFXINOCKBGWEEH-UHFFFAOYSA-N -1 3 284.290 3.481 20 0 CGADHM COc1ccc([O-])c(-c2nnc(-c3ccccc3)o2)c1 ZINC001253047267 806156836 /nfs/dbraw/zinc/15/68/36/806156836.db2.gz OHIWTYLCYGDQTL-UHFFFAOYSA-N -1 3 268.272 3.118 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)Cc1ccc2c(c1)CCCC2 ZINC001159859908 806188370 /nfs/dbraw/zinc/18/83/70/806188370.db2.gz CPKKBNVPCZTQKX-CYBMUJFWSA-N -1 3 275.392 3.202 20 0 CGADHM Cc1c(Cl)cc(NC[C@@H](O)C(C)C)c([O-])c1Cl ZINC001253772476 806305704 /nfs/dbraw/zinc/30/57/04/806305704.db2.gz IGDODGGNXHFNKR-SNVBAGLBSA-N -1 3 278.179 3.436 20 0 CGADHM CCCc1nnc(-c2cc([O-])ccc2Br)o1 ZINC001254026070 806332049 /nfs/dbraw/zinc/33/20/49/806332049.db2.gz HNPWWGJUILCJRF-UHFFFAOYSA-N -1 3 283.125 3.157 20 0 CGADHM C=COc1ccc(NC(=O)c2cccc(C)c2[O-])cc1 ZINC001161304447 806364002 /nfs/dbraw/zinc/36/40/02/806364002.db2.gz TZHNSHSLCYCTCG-UHFFFAOYSA-N -1 3 269.300 3.475 20 0 CGADHM S=c1ccc(N[C@H](c2ccccc2)C2CC2)n[n-]1 ZINC001161956389 806490321 /nfs/dbraw/zinc/49/03/21/806490321.db2.gz XVKYBHNTRLWLEH-CQSZACIVSA-N -1 3 257.362 3.329 20 0 CGADHM Cc1cc(Cl)ccc1-c1nnc(-c2ccc([O-])cn2)o1 ZINC001255267609 806587046 /nfs/dbraw/zinc/58/70/46/806587046.db2.gz CBAIHCGHVYORJU-UHFFFAOYSA-N -1 3 287.706 3.466 20 0 CGADHM Cc1[n-]n(-c2ccccc2Cl)c(=O)c1C(C)C ZINC000108459852 798982662 /nfs/dbraw/zinc/98/26/62/798982662.db2.gz BNYJQADBLFWLPU-LBPRGKRZSA-N -1 3 250.729 3.335 20 0 CGADHM CCOc1cccc(CNCc2ccc(CC(=O)[O-])cc2)c1 ZINC000389459347 799462315 /nfs/dbraw/zinc/46/23/15/799462315.db2.gz KNDVIVIOIXVINX-UHFFFAOYSA-N -1 3 299.370 3.002 20 0 CGADHM C[C@H](c1ccc(C(=O)[O-])o1)N1CC[C@@](C)(C(F)(F)F)C1 ZINC000708923955 799999105 /nfs/dbraw/zinc/99/91/05/799999105.db2.gz FUAMXUTVJGNPOW-PRHODGIISA-N -1 3 291.269 3.313 20 0 CGADHM CC(C)(C)OC(=O)c1ccc(C=Cc2nccc(=O)[n-]2)cc1 ZINC000764916983 800382299 /nfs/dbraw/zinc/38/22/99/800382299.db2.gz HOSRQBHOLRAIPM-RMKNXTFCSA-N -1 3 298.342 3.308 20 0 CGADHM Cc1cccc(CO[N-]C(=O)C[C@@H]2CCCC[C@@H]2C)n1 ZINC000827805676 800479539 /nfs/dbraw/zinc/47/95/39/800479539.db2.gz CRSJNNPMEHPVJW-JSGCOSHPSA-N -1 3 276.380 3.154 20 0 CGADHM CC(C)Cc1nnc(-c2c([O-])cnc3ccccc32)o1 ZINC001256425878 806894080 /nfs/dbraw/zinc/89/40/80/806894080.db2.gz BHSLFXVWVWZCIM-UHFFFAOYSA-N -1 3 269.304 3.189 20 0 CGADHM CC(C)c1oncc1[N-]C(=O)c1ccnc(Cl)c1F ZINC001120691022 802762118 /nfs/dbraw/zinc/76/21/18/802762118.db2.gz LNWYGDGOSBZLOF-UHFFFAOYSA-N -1 3 283.690 3.238 20 0 CGADHM O=C([N-]c1c(F)cc(Cl)cc1F)c1ccsn1 ZINC001127643514 803149826 /nfs/dbraw/zinc/14/98/26/803149826.db2.gz YZPHNWNAVPMGBZ-UHFFFAOYSA-N -1 3 274.679 3.327 20 0 CGADHM CN(C)Cc1cccc(-c2c([O-])cccc2Cl)n1 ZINC001244038885 803155620 /nfs/dbraw/zinc/15/56/20/803155620.db2.gz YRZOXSFWGHDFHC-UHFFFAOYSA-N -1 3 262.740 3.169 20 0 CGADHM COC(=O)c1cnc(C)c(-c2c([O-])cccc2Cl)c1 ZINC001244046196 803159524 /nfs/dbraw/zinc/15/95/24/803159524.db2.gz BRXPNPGVTRKZAR-UHFFFAOYSA-N -1 3 277.707 3.203 20 0 CGADHM COc1c(C)cc(C)cc1-c1cc(-c2nnn[n-]2)ccc1F ZINC001244118104 803195290 /nfs/dbraw/zinc/19/52/90/803195290.db2.gz SBCHTMFIJFEHLN-UHFFFAOYSA-N -1 3 298.321 3.298 20 0 CGADHM COc1c(C)cc(C)cc1-c1cc(-c2nn[n-]n2)ccc1F ZINC001244118104 803195295 /nfs/dbraw/zinc/19/52/95/803195295.db2.gz SBCHTMFIJFEHLN-UHFFFAOYSA-N -1 3 298.321 3.298 20 0 CGADHM COc1c(C)cc(C)cc1-c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001244118295 803195367 /nfs/dbraw/zinc/19/53/67/803195367.db2.gz AHCUNEPZZDMCGM-UHFFFAOYSA-N -1 3 298.321 3.298 20 0 CGADHM COc1c(C)cc(C)cc1-c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001244118295 803195369 /nfs/dbraw/zinc/19/53/69/803195369.db2.gz AHCUNEPZZDMCGM-UHFFFAOYSA-N -1 3 298.321 3.298 20 0 CGADHM Cc1cc(C2CC2)cc(F)c1-c1cncc(-c2nnn[n-]2)c1 ZINC001244127480 803200414 /nfs/dbraw/zinc/20/04/14/803200414.db2.gz RORFKIQLFVHRBC-UHFFFAOYSA-N -1 3 295.321 3.254 20 0 CGADHM Cc1cc(C2CC2)cc(F)c1-c1cncc(-c2nn[n-]n2)c1 ZINC001244127480 803200418 /nfs/dbraw/zinc/20/04/18/803200418.db2.gz RORFKIQLFVHRBC-UHFFFAOYSA-N -1 3 295.321 3.254 20 0 CGADHM COc1cccc(-c2ccc(=S)[n-]n2)c1C1CC1 ZINC001244249476 803263271 /nfs/dbraw/zinc/26/32/71/803263271.db2.gz RSPGGPDCZUZRRY-UHFFFAOYSA-N -1 3 258.346 3.318 20 0 CGADHM CCc1nocc1C(=O)[N-]c1ccc(F)cc1SC ZINC001130294094 803278879 /nfs/dbraw/zinc/27/88/79/803278879.db2.gz WQQMVZGHHJZZCH-UHFFFAOYSA-N -1 3 280.324 3.350 20 0 CGADHM [O-]c1cc(Cl)ccc1-c1cnc(N2CCCCC2)nc1 ZINC001244469491 803386242 /nfs/dbraw/zinc/38/62/42/803386242.db2.gz LCDBNZDHNQSVGN-UHFFFAOYSA-N -1 3 289.766 3.493 20 0 CGADHM COc1cc(-c2ccc(Cl)cc2[O-])c(F)cn1 ZINC001244471092 803387813 /nfs/dbraw/zinc/38/78/13/803387813.db2.gz CMOTVERBBYLSPF-UHFFFAOYSA-N -1 3 253.660 3.255 20 0 CGADHM CC(=O)Nc1cc(-c2ccc(Cl)cc2[O-])ccn1 ZINC001244473839 803388550 /nfs/dbraw/zinc/38/85/50/803388550.db2.gz VTXONMRUBMTORP-UHFFFAOYSA-N -1 3 262.696 3.066 20 0 CGADHM COC(=O)c1ccc(-c2ccc(Cl)cc2[O-])c(C)n1 ZINC001244474243 803389691 /nfs/dbraw/zinc/38/96/91/803389691.db2.gz YNEPEQQMJDMJMX-UHFFFAOYSA-N -1 3 277.707 3.203 20 0 CGADHM Cc1cc(-c2nccc(NC(C)C)n2)cc([O-])c1F ZINC001244496846 803403907 /nfs/dbraw/zinc/40/39/07/803403907.db2.gz WQXUKRPZYUMRBF-UHFFFAOYSA-N -1 3 261.300 3.117 20 0 CGADHM Cc1nc2ccc(-c3cc(C)c(F)c([O-])c3)nc2[nH]1 ZINC001244506240 803410420 /nfs/dbraw/zinc/41/04/20/803410420.db2.gz KOHJYSWOOBZJPU-UHFFFAOYSA-N -1 3 257.268 3.086 20 0 CGADHM Cc1cc(-c2cncc(N(C)CC3CC3)n2)cc([O-])c1F ZINC001244507591 803411492 /nfs/dbraw/zinc/41/14/92/803411492.db2.gz MMNGZWZWFYYJPJ-UHFFFAOYSA-N -1 3 287.338 3.143 20 0 CGADHM Cc1cc(-c2nccn2C)c(-c2cc(C)c(F)c([O-])c2)nn1 ZINC001244507373 803411725 /nfs/dbraw/zinc/41/17/25/803411725.db2.gz JVKZKAALAULVMS-UHFFFAOYSA-N -1 3 298.321 3.006 20 0 CGADHM CC[C@@H](C)Oc1nccnc1-c1cc(C)c(F)c([O-])c1 ZINC001244506918 803411740 /nfs/dbraw/zinc/41/17/40/803411740.db2.gz JNYAYGRVCCEQHO-SNVBAGLBSA-N -1 3 276.311 3.474 20 0 CGADHM COc1cccc2cnc(-c3cc(C)c(F)c([O-])c3)nc21 ZINC001244507744 803411870 /nfs/dbraw/zinc/41/18/70/803411870.db2.gz XFUQEABRFILKEE-UHFFFAOYSA-N -1 3 284.290 3.459 20 0 CGADHM Cc1cc(-c2ccc(-c3ccncc3)nn2)cc([O-])c1F ZINC001244507394 803412016 /nfs/dbraw/zinc/41/20/16/803412016.db2.gz KFDCPNLUOGFQIF-UHFFFAOYSA-N -1 3 281.290 3.359 20 0 CGADHM CC(=O)Oc1cccc(-c2cc(C)c(F)c([O-])c2)c1 ZINC001244515710 803413531 /nfs/dbraw/zinc/41/35/31/803413531.db2.gz KXJPYYDCMJIQJM-UHFFFAOYSA-N -1 3 260.264 3.432 20 0 CGADHM Cc1cc(-c2ccc(N3C(=O)CCC3=O)cc2)cc([O-])c1F ZINC001244520973 803415518 /nfs/dbraw/zinc/41/55/18/803415518.db2.gz PGRFAYTVXDEVKJ-UHFFFAOYSA-N -1 3 299.301 3.160 20 0 CGADHM Cc1cc(-c2cnc(OC(C)C)nc2)cc([O-])c1F ZINC001244524787 803417742 /nfs/dbraw/zinc/41/77/42/803417742.db2.gz GKWWXOKKKSEHFS-UHFFFAOYSA-N -1 3 262.284 3.084 20 0 CGADHM CNC(=O)c1ccc(-c2cc(C)c([O-])c(Cl)c2)cc1 ZINC001244538173 803425322 /nfs/dbraw/zinc/42/53/22/803425322.db2.gz RGZJDXQFOHUIPA-UHFFFAOYSA-N -1 3 275.735 3.381 20 0 CGADHM Cc1cc(Cl)c(N)c(-c2ccc(-c3nnn[n-]3)cc2)c1 ZINC001244579002 803450605 /nfs/dbraw/zinc/45/06/05/803450605.db2.gz SKCYGKCFEAWHMG-UHFFFAOYSA-N -1 3 285.738 3.078 20 0 CGADHM Cc1cc(Cl)c(N)c(-c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001244579002 803450606 /nfs/dbraw/zinc/45/06/06/803450606.db2.gz SKCYGKCFEAWHMG-UHFFFAOYSA-N -1 3 285.738 3.078 20 0 CGADHM CC(=O)c1cc(-c2ccc(C)c(-c3nnn[n-]3)c2)cs1 ZINC001244628965 803471836 /nfs/dbraw/zinc/47/18/36/803471836.db2.gz RDEJDFKRHMXBAC-UHFFFAOYSA-N -1 3 284.344 3.106 20 0 CGADHM CC(=O)c1cc(-c2ccc(C)c(-c3nn[n-]n3)c2)cs1 ZINC001244628965 803471839 /nfs/dbraw/zinc/47/18/39/803471839.db2.gz RDEJDFKRHMXBAC-UHFFFAOYSA-N -1 3 284.344 3.106 20 0 CGADHM Nc1ccc(F)c(Nc2cc(=O)n(-c3ccccc3)[n-]2)c1 ZINC001211824980 814945142 /nfs/dbraw/zinc/94/51/42/814945142.db2.gz UMVWGYFBFANFCN-UHFFFAOYSA-N -1 3 284.294 3.043 20 0 CGADHM COc1cc(C)c(C)cc1-c1ccc(-c2nnn[n-]2)cc1C ZINC001245024874 803615401 /nfs/dbraw/zinc/61/54/01/803615401.db2.gz PSZDALZIFNOURK-UHFFFAOYSA-N -1 3 294.358 3.468 20 0 CGADHM COc1cc(C)c(C)cc1-c1ccc(-c2nn[n-]n2)cc1C ZINC001245024874 803615404 /nfs/dbraw/zinc/61/54/04/803615404.db2.gz PSZDALZIFNOURK-UHFFFAOYSA-N -1 3 294.358 3.468 20 0 CGADHM COc1cc(C)c(C)cc1-c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001245023385 803615529 /nfs/dbraw/zinc/61/55/29/803615529.db2.gz OROCRMIRNAQOBW-UHFFFAOYSA-N -1 3 298.321 3.298 20 0 CGADHM COc1cc(C)c(C)cc1-c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001245023385 803615532 /nfs/dbraw/zinc/61/55/32/803615532.db2.gz OROCRMIRNAQOBW-UHFFFAOYSA-N -1 3 298.321 3.298 20 0 CGADHM COc1cnc(F)cc1-c1cc(Cl)ccc1[O-] ZINC001245050813 803623174 /nfs/dbraw/zinc/62/31/74/803623174.db2.gz LUQBGQQURVMDGO-UHFFFAOYSA-N -1 3 253.660 3.255 20 0 CGADHM COc1ccnc(-c2ccc([O-])cc2Cl)c1F ZINC001245079943 803635329 /nfs/dbraw/zinc/63/53/29/803635329.db2.gz SKOUMMHYFDFSHX-UHFFFAOYSA-N -1 3 253.660 3.255 20 0 CGADHM [O-]c1ccc(-c2cc(O[C@H]3CCOC3)ccn2)c(Cl)c1 ZINC001245084904 803638105 /nfs/dbraw/zinc/63/81/05/803638105.db2.gz YVLYWCLKVVVXDL-LBPRGKRZSA-N -1 3 291.734 3.275 20 0 CGADHM Cc1cc(Cl)ccc1-c1ccccc1-c1nnn[n-]1 ZINC001245087202 803639252 /nfs/dbraw/zinc/63/92/52/803639252.db2.gz HPIDFBLQOSBVQQ-UHFFFAOYSA-N -1 3 270.723 3.496 20 0 CGADHM Cc1cc(Cl)ccc1-c1ccccc1-c1nn[n-]n1 ZINC001245087202 803639255 /nfs/dbraw/zinc/63/92/55/803639255.db2.gz HPIDFBLQOSBVQQ-UHFFFAOYSA-N -1 3 270.723 3.496 20 0 CGADHM CCc1ccc(C(=O)NCCOc2ccccc2C)c([O-])c1 ZINC001136349891 803640439 /nfs/dbraw/zinc/64/04/39/803640439.db2.gz PSCNENIYWPNQLN-UHFFFAOYSA-N -1 3 299.370 3.072 20 0 CGADHM C[C@H]1C[C@H](C)N(C(=O)c2cc3sccc3c([O-])c2)C1 ZINC001136942309 803661542 /nfs/dbraw/zinc/66/15/42/803661542.db2.gz CVSKFTDLJUUOFW-UWVGGRQHSA-N -1 3 275.373 3.477 20 0 CGADHM [O-]c1ccc(Nc2ccc(O)c(F)c2F)c(F)c1F ZINC001212007443 814966028 /nfs/dbraw/zinc/96/60/28/814966028.db2.gz FIXOFKHKVLKWNQ-UHFFFAOYSA-N -1 3 273.185 3.398 20 0 CGADHM COC(=O)Cc1cccc(Nc2ccc([O-])c(F)c2F)c1 ZINC001212011017 814966427 /nfs/dbraw/zinc/96/64/27/814966427.db2.gz MQXVTXYDHDKXSM-UHFFFAOYSA-N -1 3 293.269 3.130 20 0 CGADHM [O-]c1ccc(Nc2cccc3nnsc32)c(F)c1F ZINC001212013679 814966935 /nfs/dbraw/zinc/96/69/35/814966935.db2.gz DPRFFYJQWSKSHF-UHFFFAOYSA-N -1 3 279.271 3.419 20 0 CGADHM COC(=O)c1cccc(F)c1Nc1ccc([O-])c(F)c1F ZINC001212009779 814967236 /nfs/dbraw/zinc/96/72/36/814967236.db2.gz UTEZVAQXLUQDAW-UHFFFAOYSA-N -1 3 297.232 3.340 20 0 CGADHM COC(=O)c1ccc(C)cc1-c1c([O-])cccc1F ZINC001245652447 803882297 /nfs/dbraw/zinc/88/22/97/803882297.db2.gz AVPCBIJOUPDILY-UHFFFAOYSA-N -1 3 260.264 3.293 20 0 CGADHM COC(=O)c1cc(-c2c([O-])cccc2F)c(F)cc1F ZINC001245653302 803884606 /nfs/dbraw/zinc/88/46/06/803884606.db2.gz GDOGXXJIRPWOBT-UHFFFAOYSA-N -1 3 282.217 3.263 20 0 CGADHM Cn1cc(-c2c([O-])cccc2F)c2ccccc2c1=O ZINC001245654052 803887011 /nfs/dbraw/zinc/88/70/11/803887011.db2.gz DIBPJTSNUIVIAH-UHFFFAOYSA-N -1 3 269.275 3.050 20 0 CGADHM O=C(c1cccc(-c2c([O-])cccc2F)c1)N1CCCC1 ZINC001245655094 803889303 /nfs/dbraw/zinc/88/93/03/803889303.db2.gz JPKZLYAHTDITRL-UHFFFAOYSA-N -1 3 285.318 3.434 20 0 CGADHM [O-]c1cccnc1CN1CCC[C@@H]1c1ccccc1F ZINC001138394715 803912836 /nfs/dbraw/zinc/91/28/36/803912836.db2.gz LLLUNHZGKPWVLC-OAHLLOKOSA-N -1 3 272.323 3.263 20 0 CGADHM Cc1nc(Cl)ccc1-c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001245773390 803954762 /nfs/dbraw/zinc/95/47/62/803954762.db2.gz RNSGFROQAFKCSO-UHFFFAOYSA-N -1 3 289.701 3.030 20 0 CGADHM Cc1nc(Cl)ccc1-c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001245773390 803954767 /nfs/dbraw/zinc/95/47/67/803954767.db2.gz RNSGFROQAFKCSO-UHFFFAOYSA-N -1 3 289.701 3.030 20 0 CGADHM COc1ccc(F)c(-c2ccc(=S)[n-]n2)c1Cl ZINC001245885130 804012750 /nfs/dbraw/zinc/01/27/50/804012750.db2.gz RFJUMNCVISALJN-UHFFFAOYSA-N -1 3 270.716 3.233 20 0 CGADHM CCc1ccc(C(=O)N[C@@H]2C[C@@H]2c2cccc(F)c2)c([O-])c1 ZINC001139892494 804317403 /nfs/dbraw/zinc/31/74/03/804317403.db2.gz SRMBUDITNSEJCN-HZPDHXFCSA-N -1 3 299.345 3.380 20 0 CGADHM CCCCc1ccc(-c2noc(-c3cc(=O)[n-]cn3)n2)cc1 ZINC001212360880 815010342 /nfs/dbraw/zinc/01/03/42/815010342.db2.gz NZDZIUHNAQJERP-UHFFFAOYSA-N -1 3 296.330 3.242 20 0 CGADHM [O-]c1cnccc1CN1CCC[C@H]1c1ccc(F)cc1F ZINC001140281013 804407360 /nfs/dbraw/zinc/40/73/60/804407360.db2.gz SXHLEYSWPJCDFW-HNNXBMFYSA-N -1 3 290.313 3.403 20 0 CGADHM [O-]c1cnccc1CN1CCSC[C@H]1c1ccccc1 ZINC001140277428 804407642 /nfs/dbraw/zinc/40/76/42/804407642.db2.gz ZDZCKLRIGXCGIJ-HNNXBMFYSA-N -1 3 286.400 3.077 20 0 CGADHM CCC[C@H](C(=O)c1ccccc1)N(C)Cc1ccncc1[O-] ZINC001140282367 804409052 /nfs/dbraw/zinc/40/90/52/804409052.db2.gz VQRXVGDXXYTCFD-MRXNPFEDSA-N -1 3 298.386 3.271 20 0 CGADHM Cc1[nH]c(CN2CCC3(CCC3)CC2)c(C)c1C(=O)[O-] ZINC001140501291 804448602 /nfs/dbraw/zinc/44/86/02/804448602.db2.gz RKOOUPQJBLPVCZ-UHFFFAOYSA-N -1 3 276.380 3.096 20 0 CGADHM Cc1cccc(C(=O)Nc2cccc3c(=O)[nH]ccc23)c1[O-] ZINC001140704183 804493019 /nfs/dbraw/zinc/49/30/19/804493019.db2.gz YFMCPNFZLWSUHL-UHFFFAOYSA-N -1 3 294.310 3.207 20 0 CGADHM C[C@@H]1CN(Cc2ccc([O-])c(F)c2F)C2(CC2)C1 ZINC001140892173 804543734 /nfs/dbraw/zinc/54/37/34/804543734.db2.gz DCQYCSXEUVYSSM-VIFPVBQESA-N -1 3 253.292 3.045 20 0 CGADHM CCN(Cc1ccc(C(=O)[O-])o1)Cc1cccc(OC)c1 ZINC001140947633 804556282 /nfs/dbraw/zinc/55/62/82/804556282.db2.gz YECZZQPRDCMLPJ-UHFFFAOYSA-N -1 3 289.331 3.009 20 0 CGADHM CCCCc1ccc(CC(=O)[N-]OCCC2CC2)cc1 ZINC001141418351 804640201 /nfs/dbraw/zinc/64/02/01/804640201.db2.gz SSTHJINWQZCSGA-UHFFFAOYSA-N -1 3 275.392 3.420 20 0 CGADHM CC(C)n1nccc1C(=O)Nc1c([O-])cccc1Cl ZINC001141467400 804644087 /nfs/dbraw/zinc/64/40/87/804644087.db2.gz ULSIPRJCOBBAKF-UHFFFAOYSA-N -1 3 279.727 3.075 20 0 CGADHM CN(CCF)Cc1c(Cl)cc([O-])cc1Cl ZINC001142122153 804695921 /nfs/dbraw/zinc/69/59/21/804695921.db2.gz MNKBQTBMHMJSFX-UHFFFAOYSA-N -1 3 252.116 3.100 20 0 CGADHM [O-]c1cc(Cl)c(CN2CC3(CSC3)C2)c(Cl)c1 ZINC001142118467 804696434 /nfs/dbraw/zinc/69/64/34/804696434.db2.gz MRAVREATLRBISI-UHFFFAOYSA-N -1 3 290.215 3.248 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)Nc1ccc(C(F)F)nc1 ZINC001144623597 805012320 /nfs/dbraw/zinc/01/23/20/805012320.db2.gz NQJCDCUVKVGVPT-UHFFFAOYSA-N -1 3 296.248 3.045 20 0 CGADHM Cc1ccc(C(=O)Nc2cnc3occc3c2)c([O-])c1 ZINC001148492129 805187545 /nfs/dbraw/zinc/18/75/45/805187545.db2.gz HSRBLEWJZRXSBD-UHFFFAOYSA-N -1 3 268.272 3.094 20 0 CGADHM O=C([O-])c1c(F)ccc(CN2C[C@@H]3CCCC[C@@H]3C2)c1F ZINC001249760791 805236310 /nfs/dbraw/zinc/23/63/10/805236310.db2.gz RRKYUXDRWNTZTQ-PHIMTYICSA-N -1 3 295.329 3.285 20 0 CGADHM Cc1ccc(Nc2cnc3c(c2)NCCO3)c(Cl)c1[O-] ZINC001249809945 805255231 /nfs/dbraw/zinc/25/52/31/805255231.db2.gz VJRLRXQMXVVYBU-UHFFFAOYSA-N -1 3 291.738 3.297 20 0 CGADHM [O-]c1c(F)cc(Nc2cccc(O)c2F)cc1F ZINC001212550398 815064731 /nfs/dbraw/zinc/06/47/31/815064731.db2.gz KRRWMIVFBHLRNM-UHFFFAOYSA-N -1 3 255.195 3.259 20 0 CGADHM CS[C@@H](C)CNC(=O)c1cc2sccc2c([O-])c1 ZINC001151937298 805323666 /nfs/dbraw/zinc/32/36/66/805323666.db2.gz WQYYVXYGXIJKPP-QMMMGPOBSA-N -1 3 281.402 3.088 20 0 CGADHM Cc1ccc(-c2noc(-c3ccc([O-])cn3)n2)c(C)c1 ZINC001212557983 815067996 /nfs/dbraw/zinc/06/79/96/815067996.db2.gz LQMQAIPXBWXZKT-UHFFFAOYSA-N -1 3 267.288 3.121 20 0 CGADHM Cc1cccc(C)c1NC(=O)Cc1cccc(F)c1[O-] ZINC001250006688 805362315 /nfs/dbraw/zinc/36/23/15/805362315.db2.gz NFJZZSNIMWCQRO-UHFFFAOYSA-N -1 3 273.307 3.329 20 0 CGADHM Nc1cn(-c2cc(Cl)c([O-])cc2F)c2ncccc12 ZINC001250020519 805372008 /nfs/dbraw/zinc/37/20/08/805372008.db2.gz MSKBBOJAXOOYNE-UHFFFAOYSA-N -1 3 277.686 3.106 20 0 CGADHM Cc1nc(Br)ccc1Nc1ncc(F)cc1[O-] ZINC001212563051 815070485 /nfs/dbraw/zinc/07/04/85/815070485.db2.gz AHDQOKMYHFTICE-UHFFFAOYSA-N -1 3 298.115 3.136 20 0 CGADHM CC(C)c1ccc(C(=O)NC2(C)CC(F)(F)C2)c([O-])c1 ZINC001154041288 805430527 /nfs/dbraw/zinc/43/05/27/805430527.db2.gz ZOAYVVUBMMHBOY-UHFFFAOYSA-N -1 3 283.318 3.433 20 0 CGADHM O=C(Nc1cc([O-])cc(Cl)c1)c1ccnc2cccnc21 ZINC001154305448 805448080 /nfs/dbraw/zinc/44/80/80/805448080.db2.gz JDOGFFQRLHXEBE-UHFFFAOYSA-N -1 3 299.717 3.241 20 0 CGADHM Cn1cnc2cc(Nc3ccc(Cl)c([O-])c3)cnc21 ZINC001212588446 815077386 /nfs/dbraw/zinc/07/73/86/815077386.db2.gz PWPBAWBEDXZACD-UHFFFAOYSA-N -1 3 274.711 3.071 20 0 CGADHM Cc1ccc2ncc([O-])c(C(=O)N[C@H]3CC=CCC3)c2c1 ZINC001154533842 805462369 /nfs/dbraw/zinc/46/23/69/805462369.db2.gz QYUOAJVTYIRATL-LBPRGKRZSA-N -1 3 282.343 3.087 20 0 CGADHM [O-]c1cc(Nc2cc(F)nc(F)c2)ccc1Cl ZINC001212589378 815078455 /nfs/dbraw/zinc/07/84/55/815078455.db2.gz IMDLGHANUHHZOE-UHFFFAOYSA-N -1 3 256.639 3.462 20 0 CGADHM Cc1cc(Nc2ccc(Cl)c([O-])c2)cc(=O)o1 ZINC001212590412 815079119 /nfs/dbraw/zinc/07/91/19/815079119.db2.gz LDILQTGYLBATCV-UHFFFAOYSA-N -1 3 251.669 3.051 20 0 CGADHM O=C1OCc2ccc(Nc3ccc(Cl)c([O-])c3)cc21 ZINC001212591514 815079597 /nfs/dbraw/zinc/07/95/97/815079597.db2.gz QGJFBTOGRJHYBY-UHFFFAOYSA-N -1 3 275.691 3.460 20 0 CGADHM COC(=O)c1ccc(N)c(Nc2ccc(Cl)c([O-])c2)c1 ZINC001212592152 815079662 /nfs/dbraw/zinc/07/96/62/815079662.db2.gz APLYPMXJSKVOOC-UHFFFAOYSA-N -1 3 292.722 3.158 20 0 CGADHM [O-]c1cc(Nc2ccn3ccnc3c2)ccc1Cl ZINC001212591355 815079909 /nfs/dbraw/zinc/07/99/09/815079909.db2.gz IAJXLPLVPRMGAV-UHFFFAOYSA-N -1 3 259.696 3.437 20 0 CGADHM Cc1cccc(C(N)=O)c1Nc1ccc(Cl)c([O-])c1 ZINC001212594259 815081470 /nfs/dbraw/zinc/08/14/70/815081470.db2.gz VTSOEJMOSAMHPA-UHFFFAOYSA-N -1 3 276.723 3.197 20 0 CGADHM O=c1[n-]c(-c2nnc(CCCc3ccccc3)o2)ccc1F ZINC001257805453 807221447 /nfs/dbraw/zinc/22/14/47/807221447.db2.gz JJNWYFSIXSYLOI-UHFFFAOYSA-N -1 3 299.305 3.152 20 0 CGADHM [O-]c1ccc(O)cc1-c1nnc(-c2ccc3c(c2)CCC3)o1 ZINC001258242702 807383989 /nfs/dbraw/zinc/38/39/89/807383989.db2.gz PSILRLUSRLWUKQ-UHFFFAOYSA-N -1 3 294.310 3.304 20 0 CGADHM [O-]c1c(F)cc(Nc2cc(F)cc(CO)c2)cc1F ZINC001212747528 815123395 /nfs/dbraw/zinc/12/33/95/815123395.db2.gz KPGKYKJTPFAPQV-UHFFFAOYSA-N -1 3 269.222 3.045 20 0 CGADHM O=C(NC1(C(F)(F)F)CC1)c1cc([O-])c2ccccc2c1 ZINC001261293841 807733734 /nfs/dbraw/zinc/73/37/34/807733734.db2.gz ZTCUTGZDGCZYJR-UHFFFAOYSA-N -1 3 295.260 3.370 20 0 CGADHM Cc1cc(F)ncc1Nc1cc(F)c([O-])cc1F ZINC001212817565 815146189 /nfs/dbraw/zinc/14/61/89/815146189.db2.gz BSPQQAOKADJELQ-UHFFFAOYSA-N -1 3 254.211 3.257 20 0 CGADHM CSc1ccc([O-])c(C(=O)N[C@@H]2CCC[C@@H](F)C2)c1 ZINC001261745235 807780417 /nfs/dbraw/zinc/78/04/17/807780417.db2.gz CPQARFZJBMEFOA-NXEZZACHSA-N -1 3 283.368 3.125 20 0 CGADHM Cc1c(F)nccc1Nc1cc([O-])c(F)cc1F ZINC001212842633 815153841 /nfs/dbraw/zinc/15/38/41/815153841.db2.gz FBTSEJPJCPZPMU-UHFFFAOYSA-N -1 3 254.211 3.257 20 0 CGADHM COCOc1cccc(Nc2cc([O-])c(F)cc2F)c1 ZINC001212899976 815180615 /nfs/dbraw/zinc/18/06/15/815180615.db2.gz AIYVOJNZBIJRBJ-UHFFFAOYSA-N -1 3 281.258 3.397 20 0 CGADHM CCN(CC)c1ccc(Nc2ccc(C(N)=O)c([O-])c2)cc1 ZINC001212970706 815192625 /nfs/dbraw/zinc/19/26/25/815192625.db2.gz DRIMUIUFHJFNBF-UHFFFAOYSA-N -1 3 299.374 3.081 20 0 CGADHM O=c1cc(Nc2ccsc2)[n-]n1-c1ccccc1 ZINC001173818222 808687380 /nfs/dbraw/zinc/68/73/80/808687380.db2.gz FCSWPZHELHWNBK-UHFFFAOYSA-N -1 3 257.318 3.383 20 0 CGADHM COc1cccc(OC)c1Nc1cc([O-])c(F)cc1F ZINC001173921531 808761577 /nfs/dbraw/zinc/76/15/77/808761577.db2.gz HBKKRHJBECVNRW-UHFFFAOYSA-N -1 3 281.258 3.431 20 0 CGADHM [O-]c1cc(Cl)cnc1Nc1cc(F)ccc1F ZINC001173950487 808780088 /nfs/dbraw/zinc/78/00/88/808780088.db2.gz BJFNJAYHIJGHHQ-UHFFFAOYSA-N -1 3 256.639 3.462 20 0 CGADHM COC(=O)c1cccc(Nc2cc(F)c([O-])c(F)c2)c1 ZINC001173963143 808789581 /nfs/dbraw/zinc/78/95/81/808789581.db2.gz JJUAKLYQAUJJAJ-UHFFFAOYSA-N -1 3 279.242 3.201 20 0 CGADHM CC(=O)Nc1ccc(Nc2ccc([O-])c(F)c2F)cc1 ZINC001173976930 808800836 /nfs/dbraw/zinc/80/08/36/808800836.db2.gz MCCWBQNUZCDGAM-UHFFFAOYSA-N -1 3 278.258 3.372 20 0 CGADHM COc1ccc(C)cc1Nc1cc(=O)[n-]c(C2CC2)n1 ZINC001173984855 808805371 /nfs/dbraw/zinc/80/53/71/808805371.db2.gz GKYTYBGQZZLTOA-UHFFFAOYSA-N -1 3 271.320 3.120 20 0 CGADHM [O-]c1cc(F)cnc1Nc1ccnc(C(F)(F)F)c1 ZINC001174362311 808976829 /nfs/dbraw/zinc/97/68/29/808976829.db2.gz FQZMPOGJCZXBHJ-UHFFFAOYSA-N -1 3 273.189 3.084 20 0 CGADHM [O-]c1cc(F)c(Nc2ccnc3[nH]ccc32)cc1F ZINC001174413056 809006342 /nfs/dbraw/zinc/00/63/42/809006342.db2.gz HMUSKRGAECVQQT-UHFFFAOYSA-N -1 3 261.231 3.242 20 0 CGADHM CNc1ncc2cc([N-]c3nnc(C(C)(C)C)o3)ccc2n1 ZINC001174530499 809064611 /nfs/dbraw/zinc/06/46/11/809064611.db2.gz NBOQJIOYOMZQSL-UHFFFAOYSA-N -1 3 298.350 3.096 20 0 CGADHM [O-]c1cc(Br)cnc1Nc1ccc(O)c(F)c1 ZINC001174732396 809144168 /nfs/dbraw/zinc/14/41/68/809144168.db2.gz AEDYCBWDRJIBSO-UHFFFAOYSA-N -1 3 299.099 3.138 20 0 CGADHM CCOc1nnc(NC(=O)[C@@H](CC)CC2CCCCC2)[n-]1 ZINC001174746108 809150742 /nfs/dbraw/zinc/15/07/42/809150742.db2.gz ZTBRQRXZFYBIFK-LBPRGKRZSA-N -1 3 294.399 3.139 20 0 CGADHM CCOc1nc(NC(=O)[C@@H](CC)CC2CCCCC2)n[n-]1 ZINC001174746108 809150746 /nfs/dbraw/zinc/15/07/46/809150746.db2.gz ZTBRQRXZFYBIFK-LBPRGKRZSA-N -1 3 294.399 3.139 20 0 CGADHM CCOc1n[n-]c(NC(=O)[C@@H](CC)CC2CCCCC2)n1 ZINC001174746108 809150749 /nfs/dbraw/zinc/15/07/49/809150749.db2.gz ZTBRQRXZFYBIFK-LBPRGKRZSA-N -1 3 294.399 3.139 20 0 CGADHM COc1ccc(C(F)(F)F)cc1Nc1cnc(C)[n-]c1=O ZINC001174774844 809161477 /nfs/dbraw/zinc/16/14/77/809161477.db2.gz APZDLQMVKSDBBG-UHFFFAOYSA-N -1 3 299.252 3.262 20 0 CGADHM Cc1ncc(Nc2ccc3ccccc3c2)c(=O)[n-]1 ZINC001174876952 809186260 /nfs/dbraw/zinc/18/62/60/809186260.db2.gz ZMCROCHPRHVTRU-UHFFFAOYSA-N -1 3 251.289 3.387 20 0 CGADHM CN(C)Cc1ccccc1Nc1ccc(CC(=O)[O-])cc1 ZINC001174953066 809213726 /nfs/dbraw/zinc/21/37/26/809213726.db2.gz IBZAMLVPOFPYGJ-UHFFFAOYSA-N -1 3 284.359 3.119 20 0 CGADHM COC(=O)c1ccc(Nc2c(F)cc([O-])cc2F)cc1F ZINC001175096485 809268716 /nfs/dbraw/zinc/26/87/16/809268716.db2.gz BJUMZEKNLCFRJQ-UHFFFAOYSA-N -1 3 297.232 3.340 20 0 CGADHM Nc1cccc2c1N(c1cc(F)c([O-])c(F)c1)CCC2 ZINC001213386649 815275544 /nfs/dbraw/zinc/27/55/44/815275544.db2.gz NHXUJGDNMUYZLB-UHFFFAOYSA-N -1 3 276.286 3.337 20 0 CGADHM O=C1NCc2cccc(Nc3cc(F)c([O-])c(F)c3)c2N1 ZINC001213389043 815275695 /nfs/dbraw/zinc/27/56/95/815275695.db2.gz ZFKQLMPKLNYKIQ-UHFFFAOYSA-N -1 3 291.257 3.049 20 0 CGADHM Cc1cc(Nc2c(F)cc([O-])cc2F)ccc1CO ZINC001175100097 809270878 /nfs/dbraw/zinc/27/08/78/809270878.db2.gz VCAPYKQMIZOPFX-UHFFFAOYSA-N -1 3 265.259 3.215 20 0 CGADHM C[C@@H](O)c1ccccc1Nc1c(F)cc([O-])cc1F ZINC001175099767 809270923 /nfs/dbraw/zinc/27/09/23/809270923.db2.gz RWYQMKNEZIGNAU-MRVPVSSYSA-N -1 3 265.259 3.467 20 0 CGADHM [O-]c1cc(F)c(Nc2ccc3cncnc3c2)c(F)c1 ZINC001175100331 809271065 /nfs/dbraw/zinc/27/10/65/809271065.db2.gz YVFYIOQAFXAAOQ-UHFFFAOYSA-N -1 3 273.242 3.357 20 0 CGADHM [O-]c1cc(F)c(Nc2cccc3c2COC3)c(F)c1 ZINC001175099527 809271133 /nfs/dbraw/zinc/27/11/33/809271133.db2.gz LCOHUSWGUBNADC-UHFFFAOYSA-N -1 3 263.243 3.444 20 0 CGADHM [O-]c1cc(F)c(Nc2cccc(-c3nnco3)c2)c(F)c1 ZINC001175100247 809271373 /nfs/dbraw/zinc/27/13/73/809271373.db2.gz OMBKTBHZFHINPU-UHFFFAOYSA-N -1 3 289.241 3.464 20 0 CGADHM [O-]c1cc(F)c(Nc2cccc3c2OCO3)c(F)c1 ZINC001175100654 809271781 /nfs/dbraw/zinc/27/17/81/809271781.db2.gz SUIOFYIOQYRPSG-UHFFFAOYSA-N -1 3 265.215 3.143 20 0 CGADHM C[C@@H](O)c1cccc(Nc2c(F)cc([O-])cc2F)c1 ZINC001175100569 809272304 /nfs/dbraw/zinc/27/23/04/809272304.db2.gz RGAHTGFIECXVLR-MRVPVSSYSA-N -1 3 265.259 3.467 20 0 CGADHM [O-]c1cc(F)c(Nc2ccc3c(c2)[C@@H](O)CC3)c(F)c1 ZINC001175102444 809272616 /nfs/dbraw/zinc/27/26/16/809272616.db2.gz LDQRNIXRMJDKDP-AWEZNQCLSA-N -1 3 277.270 3.394 20 0 CGADHM [O-]c1cc(F)c(Nc2ccc3c(c2)[C@H](O)CC3)c(F)c1 ZINC001175102446 809272651 /nfs/dbraw/zinc/27/26/51/809272651.db2.gz LDQRNIXRMJDKDP-CQSZACIVSA-N -1 3 277.270 3.394 20 0 CGADHM COc1ccc(F)c(Nc2ncc(Cl)cc2[O-])c1F ZINC001175117197 809278480 /nfs/dbraw/zinc/27/84/80/809278480.db2.gz BELMATWCVKNLGU-UHFFFAOYSA-N -1 3 286.665 3.471 20 0 CGADHM Nc1cc(Cl)ncc1Nc1c(F)ccc([O-])c1F ZINC001175263238 809329323 /nfs/dbraw/zinc/32/93/23/809329323.db2.gz QKVHEUPGRMEQLD-UHFFFAOYSA-N -1 3 271.654 3.045 20 0 CGADHM Oc1ccc(F)c([N-]c2cc(-c3ccccn3)no2)c1F ZINC001175264517 809329752 /nfs/dbraw/zinc/32/97/52/809329752.db2.gz VMKTZCFHUQYUSR-UHFFFAOYSA-N -1 3 289.241 3.464 20 0 CGADHM [O-]c1ccc(F)c(Nc2cccc3c2OCO3)c1F ZINC001175264863 809329779 /nfs/dbraw/zinc/32/97/79/809329779.db2.gz KFMBPKAYQIMLSM-UHFFFAOYSA-N -1 3 265.215 3.143 20 0 CGADHM [O-]c1ccc(F)c(Nc2ccc(O)c(F)c2)c1F ZINC001175266043 809331198 /nfs/dbraw/zinc/33/11/98/809331198.db2.gz TVUDWPKBHHCVPY-UHFFFAOYSA-N -1 3 255.195 3.259 20 0 CGADHM COC(=O)c1ccc(F)cc1Nc1c(F)ccc([O-])c1F ZINC001175267631 809331329 /nfs/dbraw/zinc/33/13/29/809331329.db2.gz DFWZJHATQXJUHM-UHFFFAOYSA-N -1 3 297.232 3.340 20 0 CGADHM Cn1cnc2c1cccc2Nc1c(F)ccc([O-])c1F ZINC001175271580 809335571 /nfs/dbraw/zinc/33/55/71/809335571.db2.gz WGDCCGJJCCWCEV-UHFFFAOYSA-N -1 3 275.258 3.301 20 0 CGADHM Cc1ccc(Nc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC001175427984 809401727 /nfs/dbraw/zinc/40/17/27/809401727.db2.gz CFFYCLKZXJEUGO-UHFFFAOYSA-N -1 3 265.320 3.227 20 0 CGADHM CSc1ccc([O-])c(C(=O)N[C@@H]2CCC[C@H]2C)c1 ZINC001293164600 809444069 /nfs/dbraw/zinc/44/40/69/809444069.db2.gz ITWVUFLRMUQBPC-BXKDBHETSA-N -1 3 265.378 3.033 20 0 CGADHM [O-]c1cccc2sc(Nc3ccc(CO)cc3)nc21 ZINC001175562476 809451936 /nfs/dbraw/zinc/45/19/36/809451936.db2.gz LAZXNGKJXGCLGN-UHFFFAOYSA-N -1 3 272.329 3.238 20 0 CGADHM CN1CCC=C(Nc2ccc3[n-]c(=S)sc3c2)C1 ZINC001175579836 809460159 /nfs/dbraw/zinc/46/01/59/809460159.db2.gz QUIBISDCSBJBJE-UHFFFAOYSA-N -1 3 277.418 3.216 20 0 CGADHM C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)c1ccc(O)cc1[O-] ZINC001294395342 809467522 /nfs/dbraw/zinc/46/75/22/809467522.db2.gz DUMJTVLYSDWRRL-MFKMUULPSA-N -1 3 277.364 3.042 20 0 CGADHM Clc1cc(-c2nc(-c3ccc4ncccc4c3)no2)[n-]n1 ZINC001213500256 815291241 /nfs/dbraw/zinc/29/12/41/815291241.db2.gz DJPKSJWZLCVBGG-UHFFFAOYSA-N -1 3 297.705 3.328 20 0 CGADHM CCc1ccc(-c2noc(-c3cc(Cl)n[n-]3)n2)cc1 ZINC001213500811 815292228 /nfs/dbraw/zinc/29/22/28/815292228.db2.gz RXQBEMJMDCPLEH-UHFFFAOYSA-N -1 3 274.711 3.343 20 0 CGADHM COc1cc(Nc2cccc(Cl)c2[O-])c(F)cn1 ZINC001175692062 809506961 /nfs/dbraw/zinc/50/69/61/809506961.db2.gz LBWSBYJWQQQUJY-UHFFFAOYSA-N -1 3 268.675 3.332 20 0 CGADHM Cc1cc(C)c(Nc2cc([O-])c(F)cc2F)cn1 ZINC001213515847 815294646 /nfs/dbraw/zinc/29/46/46/815294646.db2.gz OZROMNQVJVXECG-UHFFFAOYSA-N -1 3 250.248 3.426 20 0 CGADHM CCc1ccc(C(=O)NC[C@@H]2CC[C@H](C)C2)c([O-])c1 ZINC001297382503 809517095 /nfs/dbraw/zinc/51/70/95/809517095.db2.gz VDWYMCKKEVTYLP-WCQYABFASA-N -1 3 261.365 3.121 20 0 CGADHM O=c1cc(Nc2cnn(C3CCC3)c2)[n-]n1-c1ccccc1 ZINC001175760150 809535539 /nfs/dbraw/zinc/53/55/39/809535539.db2.gz LURBHPZRHHYXBG-UHFFFAOYSA-N -1 3 295.346 3.243 20 0 CGADHM O=C(NCc1ccnc(F)c1)c1cc([O-])c2ccccc2c1 ZINC001301801556 809587338 /nfs/dbraw/zinc/58/73/38/809587338.db2.gz UBSIBJGDZDZKQV-UHFFFAOYSA-N -1 3 296.301 3.010 20 0 CGADHM Cc1nc(Nc2cc(C)c(Cl)cc2F)cc(=O)[n-]1 ZINC001176523549 809710581 /nfs/dbraw/zinc/71/05/81/809710581.db2.gz RJQMPGISPGMLQR-UHFFFAOYSA-N -1 3 267.691 3.335 20 0 CGADHM O=c1[n-]cncc1Nc1ccc(Cl)cc1Cl ZINC001176651846 809736366 /nfs/dbraw/zinc/73/63/66/809736366.db2.gz FDYSZVWMBUYIMT-UHFFFAOYSA-N -1 3 256.092 3.233 20 0 CGADHM Cc1cccc(-c2noc(-c3nc(C)ccc3[O-])n2)c1 ZINC001213699397 815322833 /nfs/dbraw/zinc/32/28/33/815322833.db2.gz HLLAARYJBGCOKD-UHFFFAOYSA-N -1 3 267.288 3.121 20 0 CGADHM CCc1cccc(-c2noc(-c3nc(C)ccc3[O-])n2)c1 ZINC001213699363 815322925 /nfs/dbraw/zinc/32/29/25/815322925.db2.gz GDNUNAKIIDDPDW-UHFFFAOYSA-N -1 3 281.315 3.375 20 0 CGADHM O=C(Nc1ccc(F)c([O-])c1)[C@@H](c1ccccn1)C1CC1 ZINC001178236446 809853812 /nfs/dbraw/zinc/85/38/12/809853812.db2.gz ANPBLLNINFZDRY-OAHLLOKOSA-N -1 3 286.306 3.059 20 0 CGADHM O=C(NC1CC(Cl)(Cl)C1)c1cc([O-])ccc1Cl ZINC001178877097 809892699 /nfs/dbraw/zinc/89/26/99/809892699.db2.gz CMUUCPHVJPOKEE-UHFFFAOYSA-N -1 3 294.565 3.112 20 0 CGADHM CCc1cnc(NC(=O)c2cc3sccc3c([O-])c2)o1 ZINC001179415339 809920273 /nfs/dbraw/zinc/92/02/73/809920273.db2.gz SIIAZMOLLSPAOO-UHFFFAOYSA-N -1 3 288.328 3.410 20 0 CGADHM Cc1ccc([C@@H](O)C(=O)Nc2cc([O-])cc(Cl)c2)cc1 ZINC001183647595 810155817 /nfs/dbraw/zinc/15/58/17/810155817.db2.gz ZLFHQBXULXHFAU-CQSZACIVSA-N -1 3 291.734 3.026 20 0 CGADHM O=C(Nc1ccc(F)c([O-])c1)c1scnc1C1CC1 ZINC001185693495 810285506 /nfs/dbraw/zinc/28/55/06/810285506.db2.gz ARPAORYZFUCCLA-UHFFFAOYSA-N -1 3 278.308 3.118 20 0 CGADHM CC(C)[C@H]1CC[C@@H](C)C[C@@H]1C[N-]S(=O)(=O)c1ccco1 ZINC001186186312 810320210 /nfs/dbraw/zinc/32/02/10/810320210.db2.gz NQXAZXRGOBPEFB-MGPQQGTHSA-N -1 3 299.436 3.266 20 0 CGADHM O=C(Nc1cc(Cl)cc(Cl)c1)Nc1cnc[n-]c1=O ZINC001187126098 810386150 /nfs/dbraw/zinc/38/61/50/810386150.db2.gz WNXWJFURUIKXKD-UHFFFAOYSA-N -1 3 299.117 3.133 20 0 CGADHM Cc1cccc([O-])c1C(=O)Nc1cc(Cl)nnc1Cl ZINC001188638605 810496546 /nfs/dbraw/zinc/49/65/46/810496546.db2.gz OCWPMRKACJCFHY-UHFFFAOYSA-N -1 3 298.129 3.050 20 0 CGADHM Cc1cc2c(ncnc2NC(=O)c2c(C)cccc2[O-])s1 ZINC001188639020 810497499 /nfs/dbraw/zinc/49/74/99/810497499.db2.gz SSHJWSQBYKQQJV-UHFFFAOYSA-N -1 3 299.355 3.266 20 0 CGADHM Cc1cccc([O-])c1C(=O)N[C@H](C)c1nc2ccccc2[nH]1 ZINC001188654879 810500254 /nfs/dbraw/zinc/50/02/54/810500254.db2.gz IPVQGPWICGZNME-LLVKDONJSA-N -1 3 295.342 3.068 20 0 CGADHM Cc1noc2ccc(CNC(=O)c3c(C)cccc3[O-])cc12 ZINC001188658643 810501014 /nfs/dbraw/zinc/50/10/14/810501014.db2.gz DQQOAKBWTJPCQN-UHFFFAOYSA-N -1 3 296.326 3.080 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2cccc(-c3cnco3)c2)n1 ZINC001188932207 810524483 /nfs/dbraw/zinc/52/44/83/810524483.db2.gz FQXKBEZKBKFGAO-UHFFFAOYSA-N -1 3 295.298 3.003 20 0 CGADHM Cc1ccc([O-])c(NC(=O)Nc2cccc(F)c2C)n1 ZINC001189020602 810535677 /nfs/dbraw/zinc/53/56/77/810535677.db2.gz FLFNIAWAUACBQN-UHFFFAOYSA-N -1 3 275.283 3.187 20 0 CGADHM O=S(=O)(CCCF)[N-]c1csc2ccccc12 ZINC001189868462 810592556 /nfs/dbraw/zinc/59/25/56/810592556.db2.gz KXGDCRSFLYWWKE-UHFFFAOYSA-N -1 3 273.354 3.003 20 0 CGADHM O=S(=O)(CCCF)[N-]c1ccccc1-c1ccco1 ZINC001189920512 810594507 /nfs/dbraw/zinc/59/45/07/810594507.db2.gz ZIVGYKNPEVRINN-UHFFFAOYSA-N -1 3 283.324 3.048 20 0 CGADHM Cc1ccc([N-]S(=O)(=O)CCCF)c(C(F)(F)F)c1 ZINC001189916062 810594741 /nfs/dbraw/zinc/59/47/41/810594741.db2.gz UNIFYYCJNXBPHO-UHFFFAOYSA-N -1 3 299.289 3.115 20 0 CGADHM CCCCNC(=O)Nc1c([O-])cccc1C(F)(F)F ZINC001190622702 810638564 /nfs/dbraw/zinc/63/85/64/810638564.db2.gz DJZJLOMMFOQBTJ-UHFFFAOYSA-N -1 3 276.258 3.333 20 0 CGADHM CCOc1ccc(C)cc1[N-]S(=O)(=O)CC1CCCC1 ZINC001191522370 810721443 /nfs/dbraw/zinc/72/14/43/810721443.db2.gz BPHLMBDSZAYAGW-UHFFFAOYSA-N -1 3 297.420 3.326 20 0 CGADHM Cc1csc([N-]C(=O)c2nc(Cc3ccccc3)no2)c1 ZINC001192262732 810782472 /nfs/dbraw/zinc/78/24/72/810782472.db2.gz NFRGOHHEXKMPOP-UHFFFAOYSA-N -1 3 299.355 3.283 20 0 CGADHM Cc1cc(O)cc([O-])c1C(=O)NC(C)(C)CC(C)(C)C ZINC001193946330 810984937 /nfs/dbraw/zinc/98/49/37/810984937.db2.gz STUAXZIWXFQTNN-UHFFFAOYSA-N -1 3 279.380 3.351 20 0 CGADHM CCCCCCOC(=O)Nc1nc(C)ccc1[O-] ZINC001194157976 811023856 /nfs/dbraw/zinc/02/38/56/811023856.db2.gz WTQBIMPTMFPRQJ-UHFFFAOYSA-N -1 3 252.314 3.224 20 0 CGADHM Cc1ccc([N-]S(=O)(=O)c2c(C)cccc2C)cc1O ZINC001194639945 811100823 /nfs/dbraw/zinc/10/08/23/811100823.db2.gz XANUFYPXHRWDNI-UHFFFAOYSA-N -1 3 291.372 3.118 20 0 CGADHM [O-]c1ccc(Cl)c(Nc2ccnc3cccnc32)c1F ZINC001214555915 815422916 /nfs/dbraw/zinc/42/29/16/815422916.db2.gz ALBASENPSWXHJE-UHFFFAOYSA-N -1 3 289.697 3.293 20 0 CGADHM Cc1nn(C)c(C)c1Nc1c(Cl)ccc([O-])c1F ZINC001214554073 815423698 /nfs/dbraw/zinc/42/36/98/815423698.db2.gz KEVLGMOBSUWAPI-UHFFFAOYSA-N -1 3 269.707 3.279 20 0 CGADHM NC(=O)c1cc(F)ccc1Nc1c(Cl)ccc([O-])c1F ZINC001214561445 815424211 /nfs/dbraw/zinc/42/42/11/815424211.db2.gz MJLDHDNBMIBXFI-UHFFFAOYSA-N -1 3 298.676 3.166 20 0 CGADHM O=C(Nc1ccc([O-])cc1F)Oc1ccc(F)cc1 ZINC001195036241 811188514 /nfs/dbraw/zinc/18/85/14/811188514.db2.gz WQTWSDCHIIIBHN-UHFFFAOYSA-N -1 3 265.215 3.281 20 0 CGADHM CCOc1ccc(C)c(C(=O)Nc2nc(C)ccc2[O-])c1 ZINC001197123243 811400227 /nfs/dbraw/zinc/40/02/27/811400227.db2.gz ZHACCLRREAVLRM-UHFFFAOYSA-N -1 3 286.331 3.055 20 0 CGADHM [O-]c1cc(NC(=S)Nc2cccc(F)c2)ccc1F ZINC001197640925 811440061 /nfs/dbraw/zinc/44/00/61/811440061.db2.gz KVCYPZTZAOOXOX-UHFFFAOYSA-N -1 3 280.299 3.479 20 0 CGADHM Cc1ccc(NC(=S)Nc2cncc([O-])c2)c(C)c1 ZINC001197960256 811467907 /nfs/dbraw/zinc/46/79/07/811467907.db2.gz YVGLJEFQVXHHHM-UHFFFAOYSA-N -1 3 273.361 3.213 20 0 CGADHM CCCCCNC(=S)Nc1c([O-])cccc1F ZINC001200056805 811631883 /nfs/dbraw/zinc/63/18/83/811631883.db2.gz KVAFLXUTXOCSJN-UHFFFAOYSA-N -1 3 256.346 3.008 20 0 CGADHM Cc1c(Nc2ncc(F)cc2[O-])cnn1-c1ccccc1 ZINC001201367621 811820591 /nfs/dbraw/zinc/82/05/91/811820591.db2.gz BDGBYOALPNARKO-UHFFFAOYSA-N -1 3 284.294 3.164 20 0 CGADHM O=C(c1ccccc1Nc1cncc([O-])c1)C(F)(F)F ZINC001201647394 811931920 /nfs/dbraw/zinc/93/19/20/811931920.db2.gz BOBOZCQKLAYMNK-UHFFFAOYSA-N -1 3 282.221 3.276 20 0 CGADHM COCOc1ccccc1-c1noc(-c2ccccc2[O-])n1 ZINC001215142316 815487606 /nfs/dbraw/zinc/48/76/06/815487606.db2.gz XFCCEJYULONUQP-UHFFFAOYSA-N -1 3 298.298 3.092 20 0 CGADHM CN(C)Cc1ccccc1Nc1ccsc1C(=O)[O-] ZINC001215395240 815515674 /nfs/dbraw/zinc/51/56/74/815515674.db2.gz HQJOVYVMRCRIHD-UHFFFAOYSA-N -1 3 276.361 3.252 20 0 CGADHM COc1ncc(Nc2cccc([O-])c2Cl)cc1F ZINC001203409900 812347181 /nfs/dbraw/zinc/34/71/81/812347181.db2.gz GOSBWGQZLRQLSH-UHFFFAOYSA-N -1 3 268.675 3.332 20 0 CGADHM O=C([O-])c1ccc(CN2CCSc3ccccc3C2)cc1 ZINC001204158050 812559791 /nfs/dbraw/zinc/55/97/91/812559791.db2.gz HPENOBVMHVHOLY-UHFFFAOYSA-N -1 3 299.395 3.493 20 0 CGADHM [O-]c1cc(F)c(Nc2nc(F)ccc2F)cc1F ZINC001215572504 815537162 /nfs/dbraw/zinc/53/71/62/815537162.db2.gz IGUJCAKALMSZGE-UHFFFAOYSA-N -1 3 258.174 3.087 20 0 CGADHM COCc1ccc(Cl)c(Nc2cnc(C)[n-]c2=O)c1 ZINC001215597000 815544278 /nfs/dbraw/zinc/54/42/78/815544278.db2.gz OAGPENUMLPTOGT-UHFFFAOYSA-N -1 3 279.727 3.034 20 0 CGADHM Nc1cccc2c(Cl)nn(-c3cc(F)c([O-])cc3F)c21 ZINC001215576732 815539262 /nfs/dbraw/zinc/53/92/62/815539262.db2.gz GUSLFPDILYNZRL-UHFFFAOYSA-N -1 3 295.676 3.245 20 0 CGADHM COCOc1cc(C)ccc1Nc1ncc(Cl)cc1[O-] ZINC001205447273 812985117 /nfs/dbraw/zinc/98/51/17/812985117.db2.gz KFTOXIPGEQUFSO-UHFFFAOYSA-N -1 3 294.738 3.475 20 0 CGADHM [O-]c1cc(Cl)c(Nc2cnn3cccnc23)cc1Cl ZINC001205978140 813150462 /nfs/dbraw/zinc/15/04/62/813150462.db2.gz SCUVQZPVFNWPBN-UHFFFAOYSA-N -1 3 295.129 3.485 20 0 CGADHM CCOC(=O)c1ccc(-c2ccc([O-])cc2F)nc1C ZINC001206022263 813168866 /nfs/dbraw/zinc/16/88/66/813168866.db2.gz XMTMMKKFZGBGRK-UHFFFAOYSA-N -1 3 275.279 3.078 20 0 CGADHM Cc1cc(-c2ccc([O-])cc2F)nc(-c2ccccn2)n1 ZINC001206038312 813176756 /nfs/dbraw/zinc/17/67/56/813176756.db2.gz UPJSGIZYEOCGEK-UHFFFAOYSA-N -1 3 281.290 3.359 20 0 CGADHM CCOC(=O)c1c(C)ccnc1-c1ccc([O-])cc1F ZINC001206038161 813176946 /nfs/dbraw/zinc/17/69/46/813176946.db2.gz SPUOBHNIXAPNPP-UHFFFAOYSA-N -1 3 275.279 3.078 20 0 CGADHM Cc1cc(C(F)(F)F)c(-c2ccc([O-])cc2F)nn1 ZINC001206044940 813179182 /nfs/dbraw/zinc/17/91/82/813179182.db2.gz UNOXDMHTCFYASB-UHFFFAOYSA-N -1 3 272.201 3.316 20 0 CGADHM COC(=O)c1c(C)cccc1-c1ccc([O-])cc1F ZINC001206051745 813183470 /nfs/dbraw/zinc/18/34/70/813183470.db2.gz RDFXJYKTRVCJEM-UHFFFAOYSA-N -1 3 260.264 3.293 20 0 CGADHM [O-]c1ccc(-c2cc(F)cc3nccnc32)c(F)c1 ZINC001206072862 813190615 /nfs/dbraw/zinc/19/06/15/813190615.db2.gz ILVPXFGFKFPSJY-UHFFFAOYSA-N -1 3 258.227 3.281 20 0 CGADHM Cc1ccc([O-])c(N=C2CCN(c3ccccc3)CC2)n1 ZINC001209008981 813915617 /nfs/dbraw/zinc/91/56/17/813915617.db2.gz CAUTZBAQSXYJTL-UHFFFAOYSA-N -1 3 281.359 3.302 20 0 CGADHM COc1c(F)ccc(Nc2cnc(C)[n-]c2=O)c1Cl ZINC001209803395 814147858 /nfs/dbraw/zinc/14/78/58/814147858.db2.gz XKWJCDZKHGYSNX-UHFFFAOYSA-N -1 3 283.690 3.035 20 0 CGADHM CCc1cc(OC)ccc1-c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001242700341 823104856 /nfs/dbraw/zinc/10/48/56/823104856.db2.gz NWKLAUBFGRYUKQ-UHFFFAOYSA-N -1 3 298.321 3.244 20 0 CGADHM CCc1cc(OC)ccc1-c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001242700341 823104857 /nfs/dbraw/zinc/10/48/57/823104857.db2.gz NWKLAUBFGRYUKQ-UHFFFAOYSA-N -1 3 298.321 3.244 20 0 CGADHM [O-]c1cc(F)c(Nc2ccc3[nH]cnc3c2)c(F)c1 ZINC001209851628 814170429 /nfs/dbraw/zinc/17/04/29/814170429.db2.gz LAZVGKQGUOSXBL-UHFFFAOYSA-N -1 3 261.231 3.290 20 0 CGADHM Fc1ccc2oc(-c3ccc(Cc4nnn[n-]4)cc3)cc2c1 ZINC001242706235 823106476 /nfs/dbraw/zinc/10/64/76/823106476.db2.gz KELWJULUDJWWML-UHFFFAOYSA-N -1 3 294.289 3.343 20 0 CGADHM Fc1ccc2oc(-c3ccc(Cc4nn[n-]n4)cc3)cc2c1 ZINC001242706235 823106480 /nfs/dbraw/zinc/10/64/80/823106480.db2.gz KELWJULUDJWWML-UHFFFAOYSA-N -1 3 294.289 3.343 20 0 CGADHM C=Cc1cccc(Nc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC001209915123 814198868 /nfs/dbraw/zinc/19/88/68/814198868.db2.gz KPKYPDVHVYIMGF-UHFFFAOYSA-N -1 3 253.305 3.446 20 0 CGADHM CC(C)c1nnc([N-]c2ccc(OCC3CC3)nc2)o1 ZINC001210011236 814241941 /nfs/dbraw/zinc/24/19/41/814241941.db2.gz SQHDRYRZBJFNIY-UHFFFAOYSA-N -1 3 274.324 3.120 20 0 CGADHM Cc1cccc(Nc2cc(=O)[n-]c(C3CC3)n2)c1F ZINC001210034475 814255393 /nfs/dbraw/zinc/25/53/93/814255393.db2.gz CHSZYHYSIKGOKM-UHFFFAOYSA-N -1 3 259.284 3.251 20 0 CGADHM CN1CCc2ccc(Nc3cccc(CC(=O)[O-])c3)cc2C1 ZINC001210076086 814276759 /nfs/dbraw/zinc/27/67/59/814276759.db2.gz DPGLHMFWLDVPGN-UHFFFAOYSA-N -1 3 296.370 3.045 20 0 CGADHM COc1ccc(C(C)=O)cc1Nc1ccc(F)cc1[O-] ZINC001210078225 814278082 /nfs/dbraw/zinc/27/80/82/814278082.db2.gz NZVYWYVMAHGOKB-UHFFFAOYSA-N -1 3 275.279 3.486 20 0 CGADHM COc1ncc(F)cc1Nc1cccc(Cl)c1[O-] ZINC001210218109 814347707 /nfs/dbraw/zinc/34/77/07/814347707.db2.gz DXGRTTKXHYVQCW-UHFFFAOYSA-N -1 3 268.675 3.332 20 0 CGADHM [O-]c1c(Cl)cccc1Nc1cc(Cl)nc2ccnn21 ZINC001210220139 814347974 /nfs/dbraw/zinc/34/79/74/814347974.db2.gz NMJIZPFZDSVEDC-UHFFFAOYSA-N -1 3 295.129 3.485 20 0 CGADHM NC(=O)c1ccc(Nc2cccc(Cl)c2[O-])cc1F ZINC001210222433 814349752 /nfs/dbraw/zinc/34/97/52/814349752.db2.gz HNBBNTNGBLRYIZ-UHFFFAOYSA-N -1 3 280.686 3.027 20 0 CGADHM CC(C)n1ccc(Nc2cc([O-])c(F)cc2F)n1 ZINC001210343073 814412227 /nfs/dbraw/zinc/41/22/27/814412227.db2.gz RCBXLVUNGUOSEC-UHFFFAOYSA-N -1 3 253.252 3.191 20 0 CGADHM [O-]c1ccc(Nc2ccc(CO)c(F)c2)c(F)c1F ZINC001210485165 814482791 /nfs/dbraw/zinc/48/27/91/814482791.db2.gz UJVFJLPPYHVNKT-UHFFFAOYSA-N -1 3 269.222 3.045 20 0 CGADHM CC(C)c1cc(Nc2ccc(C(N)=O)c([O-])c2)ccc1O ZINC001215849234 815613390 /nfs/dbraw/zinc/61/33/90/815613390.db2.gz SJLQGGGKTMGVMQ-UHFFFAOYSA-N -1 3 286.331 3.064 20 0 CGADHM CSc1cc(C)ccc1Nc1cnc(C)[n-]c1=O ZINC001215872324 815619792 /nfs/dbraw/zinc/61/97/92/815619792.db2.gz OJUXVZVIZDXDNR-UHFFFAOYSA-N -1 3 261.350 3.265 20 0 CGADHM COc1nc(Cl)ncc1Nc1cccc([O-])c1Cl ZINC001210851727 814650969 /nfs/dbraw/zinc/65/09/69/814650969.db2.gz HOUHQNDYFSXRQP-UHFFFAOYSA-N -1 3 286.118 3.241 20 0 CGADHM COC(=O)c1ccc(N)c(Nc2cccc([O-])c2Cl)c1 ZINC001210854351 814652127 /nfs/dbraw/zinc/65/21/27/814652127.db2.gz QSUGGUWHPCQTIL-UHFFFAOYSA-N -1 3 292.722 3.158 20 0 CGADHM COC(=O)c1ccc(O)c(Nc2cccc([O-])c2Cl)c1 ZINC001210854240 814652206 /nfs/dbraw/zinc/65/22/06/814652206.db2.gz JTPDTJJQCWBKOJ-UHFFFAOYSA-N -1 3 293.706 3.281 20 0 CGADHM NC(=O)c1cc(Nc2cccc([O-])c2Cl)ccc1F ZINC001210854532 814652416 /nfs/dbraw/zinc/65/24/16/814652416.db2.gz CJEUFHFNNJJDDG-UHFFFAOYSA-N -1 3 280.686 3.027 20 0 CGADHM Nc1ccccc1-c1nccn1-c1cccc([O-])c1Cl ZINC001210860280 814655281 /nfs/dbraw/zinc/65/52/81/814655281.db2.gz USQFSKUAWMNHAE-UHFFFAOYSA-N -1 3 285.734 3.481 20 0 CGADHM Cc1ccc(-c2ccccc2OC2CC2)cc1-c1nnn[n-]1 ZINC001242794088 823134066 /nfs/dbraw/zinc/13/40/66/823134066.db2.gz BQQSCXNFUTYLMI-UHFFFAOYSA-N -1 3 292.342 3.383 20 0 CGADHM Cc1ccc(-c2ccccc2OC2CC2)cc1-c1nn[n-]n1 ZINC001242794088 823134070 /nfs/dbraw/zinc/13/40/70/823134070.db2.gz BQQSCXNFUTYLMI-UHFFFAOYSA-N -1 3 292.342 3.383 20 0 CGADHM COC(=O)c1cccc([O-])c1N=C(C)c1ccccc1 ZINC001210989381 814699664 /nfs/dbraw/zinc/69/96/64/814699664.db2.gz LYKGSQYZVAJCJL-UHFFFAOYSA-N -1 3 269.300 3.262 20 0 CGADHM CSc1ccc(F)c(Nc2cc(=O)[n-]c(C)n2)c1F ZINC001215838736 815610524 /nfs/dbraw/zinc/61/05/24/815610524.db2.gz GIWSYFQMBKYDOZ-UHFFFAOYSA-N -1 3 283.303 3.234 20 0 CGADHM COc1c(C)cc(C)cc1Nc1cc(=O)[n-]c(C2CC2)n1 ZINC001215996637 815655539 /nfs/dbraw/zinc/65/55/39/815655539.db2.gz HZLGUIJZSHUPMJ-UHFFFAOYSA-N -1 3 285.347 3.429 20 0 CGADHM Cc1c(CO)ccc(Nc2ncc(F)cc2[O-])c1Cl ZINC001216329313 815785698 /nfs/dbraw/zinc/78/56/98/815785698.db2.gz IAVNYGOSDGRBMJ-UHFFFAOYSA-N -1 3 282.702 3.124 20 0 CGADHM COc1ccccc1-c1noc(-c2c(C)cccc2[O-])n1 ZINC001216536060 815854324 /nfs/dbraw/zinc/85/43/24/815854324.db2.gz AAZTUPZMKBIRNQ-UHFFFAOYSA-N -1 3 282.299 3.426 20 0 CGADHM Cc1ccc(C(=O)Nc2ccc3sc(N)nc3c2)c([O-])c1 ZINC001219250316 816266462 /nfs/dbraw/zinc/26/64/62/816266462.db2.gz TZXRVFWIKRWFDE-UHFFFAOYSA-N -1 3 299.355 3.145 20 0 CGADHM COc1ccc(-c2ccc(F)c([O-])c2)c(OC)c1F ZINC001243045900 823222796 /nfs/dbraw/zinc/22/27/96/823222796.db2.gz AZWXDUWFIPYHNN-UHFFFAOYSA-N -1 3 266.243 3.355 20 0 CGADHM Cc1nc(C(=O)OC(C)C)ccc1-c1ccc(F)c([O-])c1 ZINC001243047489 823225212 /nfs/dbraw/zinc/22/52/12/823225212.db2.gz TYZTUCLTPOYPNJ-UHFFFAOYSA-N -1 3 289.306 3.467 20 0 CGADHM COc1nc(-c2ccc(F)c([O-])c2)ccc1-n1cnc(C)c1 ZINC001243049317 823226722 /nfs/dbraw/zinc/22/67/22/823226722.db2.gz KSLKLCCTJVVWCT-UHFFFAOYSA-N -1 3 299.305 3.096 20 0 CGADHM CCOc1cc(-c2ccc(F)c([O-])c2)nc(SC)n1 ZINC001243055046 823230096 /nfs/dbraw/zinc/23/00/96/823230096.db2.gz ZYMYHZLWPKNXPT-UHFFFAOYSA-N -1 3 280.324 3.109 20 0 CGADHM Cc1cc2c(cc1-c1ccc(F)c([O-])c1)CC(=O)N2 ZINC001243061064 823231984 /nfs/dbraw/zinc/23/19/84/823231984.db2.gz CBZCLHRYTRDVEI-UHFFFAOYSA-N -1 3 257.264 3.001 20 0 CGADHM [O-]c1coc2cc(O[C@H]3CCc4cc(F)ccc43)ccc12 ZINC001225340152 817016017 /nfs/dbraw/zinc/01/60/17/817016017.db2.gz DVNMMJSVKKRHGI-INIZCTEOSA-N -1 3 284.286 3.467 20 0 CGADHM C[C@@H]1CC[C@@H](C)[C@H](Oc2ccc3c([O-])coc3c2)C1 ZINC001225341967 817018283 /nfs/dbraw/zinc/01/82/83/817018283.db2.gz GXAPZKGBZVKUCC-UEKVPHQBSA-N -1 3 260.333 3.465 20 0 CGADHM CCCC(=O)[C@H](CCC)Oc1ccc2c([O-])coc2c1 ZINC001225343438 817020033 /nfs/dbraw/zinc/02/00/33/817020033.db2.gz WMFGQWLYFWLCLU-HNNXBMFYSA-N -1 3 276.332 3.178 20 0 CGADHM CC(=O)c1ccc([O-])c(O[C@@H](C)COc2ccccc2)c1 ZINC001225998076 817243210 /nfs/dbraw/zinc/24/32/10/817243210.db2.gz HMYCCVWYBLPRSH-LBPRGKRZSA-N -1 3 286.327 3.441 20 0 CGADHM Cc1c(=O)[n-]cnc1OC1CC(c2ccccc2Cl)C1 ZINC001226077927 817267731 /nfs/dbraw/zinc/26/77/31/817267731.db2.gz ZPLJPPLYRZXGQZ-UHFFFAOYSA-N -1 3 290.750 3.469 20 0 CGADHM S=c1ncc(C2CC2)c(O[C@H]2CCCc3cccnc32)[n-]1 ZINC001226116676 817277518 /nfs/dbraw/zinc/27/75/18/817277518.db2.gz DRAMKAVSVZHIPJ-ZDUSSCGKSA-N -1 3 299.399 3.494 20 0 CGADHM CCc1nc(O[C@H]2CCc3cc(C)ccc32)cc(=O)[n-]1 ZINC001226473381 817368551 /nfs/dbraw/zinc/36/85/51/817368551.db2.gz WCOQIFPFLDJSFP-ZDUSSCGKSA-N -1 3 270.332 3.119 20 0 CGADHM Cc1nc(OC2CC(c3ccccc3Cl)C2)cc(=O)[n-]1 ZINC001226513132 817381474 /nfs/dbraw/zinc/38/14/74/817381474.db2.gz YWTSMNHWEIRULN-UHFFFAOYSA-N -1 3 290.750 3.469 20 0 CGADHM O=c1ccc2ccc([O-])c(O[C@@H]3C[C@@H]4CC[C@H]3C4)c2o1 ZINC001226598905 817410231 /nfs/dbraw/zinc/41/02/31/817410231.db2.gz HPJFBDYRBISGMK-SUZMYJTESA-N -1 3 272.300 3.066 20 0 CGADHM O=c1cc(OC2CC(c3ccccc3Cl)C2)nc[n-]1 ZINC001226943940 817512592 /nfs/dbraw/zinc/51/25/92/817512592.db2.gz BCOHUVRXLUMYBH-UHFFFAOYSA-N -1 3 276.723 3.161 20 0 CGADHM CCc1cnc(=S)[n-]c1O[C@@H](C)c1ccccc1 ZINC001227055958 817545880 /nfs/dbraw/zinc/54/58/80/817545880.db2.gz QCVPNCSLCHPAML-JTQLQIEISA-N -1 3 260.362 3.468 20 0 CGADHM CCc1cnc(=S)[n-]c1O[C@H](C)c1cccc(OC)c1 ZINC001227062097 817547654 /nfs/dbraw/zinc/54/76/54/817547654.db2.gz SGDBGWIGZUEQRV-SNVBAGLBSA-N -1 3 290.388 3.476 20 0 CGADHM CC[C@H](COc1c([O-])cc(Br)cc1F)OC ZINC001227586592 817675996 /nfs/dbraw/zinc/67/59/96/817675996.db2.gz BOXOHTQGOCKVQS-MRVPVSSYSA-N -1 3 293.132 3.098 20 0 CGADHM CCCCOC[C@@H](C)Oc1cc(=O)cc(C(F)(F)F)[n-]1 ZINC001227586711 817677442 /nfs/dbraw/zinc/67/74/42/817677442.db2.gz NSOKJXVRUAURNG-SECBINFHSA-N -1 3 293.285 3.390 20 0 CGADHM O=c1cc(OC(C2CC2)C2CC2)[n-]c(C(F)(F)F)c1 ZINC001227586699 817677972 /nfs/dbraw/zinc/67/79/72/817677972.db2.gz NDAQLKGEUVHTGP-UHFFFAOYSA-N -1 3 273.254 3.373 20 0 CGADHM Cc1ccc2c(c1)[C@H](Oc1[nH]c(=S)nc3nc[n-]c31)CC2 ZINC001227613170 817681294 /nfs/dbraw/zinc/68/12/94/817681294.db2.gz TWAQEOQLWUBFTH-LLVKDONJSA-N -1 3 298.371 3.016 20 0 CGADHM CCC[C@H](Oc1nc(C(=O)OC)ccc1[O-])C(C)(C)C ZINC001227819520 817726368 /nfs/dbraw/zinc/72/63/68/817726368.db2.gz CGVQHYQIXFGFDZ-LBPRGKRZSA-N -1 3 281.352 3.167 20 0 CGADHM CC/C=C\CCOC(=O)[C@H](C)Oc1ncc(Cl)cc1[O-] ZINC001227980586 817772023 /nfs/dbraw/zinc/77/20/23/817772023.db2.gz QATTUTLIIKLZLX-LWTINBJPSA-N -1 3 299.754 3.107 20 0 CGADHM CCCc1c([O-])ccc(C(C)=O)c1O[C@H]1CCO[C@H](C)C1 ZINC001228134794 817820546 /nfs/dbraw/zinc/82/05/46/817820546.db2.gz RDWQQLFIWDLRDG-YPMHNXCESA-N -1 3 292.375 3.494 20 0 CGADHM Cc1cc(=O)oc2c1ccc([O-])c2O[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC001228624319 817956347 /nfs/dbraw/zinc/95/63/47/817956347.db2.gz ZKWURIWYDKQIIA-MISXGVKJSA-N -1 3 286.327 3.374 20 0 CGADHM c1ccc2c(c1)CCC[C@@H]2Oc1nnc(-c2cccnc2)[n-]1 ZINC001228695621 817974875 /nfs/dbraw/zinc/97/48/75/817974875.db2.gz NUMWZZQMDAGBBN-HNNXBMFYSA-N -1 3 292.342 3.323 20 0 CGADHM c1ccc2c(c1)CCC[C@@H]2Oc1nc(-c2cccnc2)n[n-]1 ZINC001228695621 817974882 /nfs/dbraw/zinc/97/48/82/817974882.db2.gz NUMWZZQMDAGBBN-HNNXBMFYSA-N -1 3 292.342 3.323 20 0 CGADHM c1ccc2c(c1)CCC[C@@H]2Oc1n[n-]c(-c2cccnc2)n1 ZINC001228695621 817974887 /nfs/dbraw/zinc/97/48/87/817974887.db2.gz NUMWZZQMDAGBBN-HNNXBMFYSA-N -1 3 292.342 3.323 20 0 CGADHM c1ccc([C@H](Oc2nnc(-c3cccnc3)[n-]2)C2CC2)cc1 ZINC001228694666 817975368 /nfs/dbraw/zinc/97/53/68/817975368.db2.gz DDCNNFCCDPIACQ-HNNXBMFYSA-N -1 3 292.342 3.397 20 0 CGADHM c1ccc([C@H](Oc2nc(-c3cccnc3)n[n-]2)C2CC2)cc1 ZINC001228694666 817975375 /nfs/dbraw/zinc/97/53/75/817975375.db2.gz DDCNNFCCDPIACQ-HNNXBMFYSA-N -1 3 292.342 3.397 20 0 CGADHM c1ccc([C@H](Oc2n[n-]c(-c3cccnc3)n2)C2CC2)cc1 ZINC001228694666 817975383 /nfs/dbraw/zinc/97/53/83/817975383.db2.gz DDCNNFCCDPIACQ-HNNXBMFYSA-N -1 3 292.342 3.397 20 0 CGADHM CCC(CC)[C@H](CC)Oc1nnc(-c2cccnc2)[n-]1 ZINC001228698326 817977674 /nfs/dbraw/zinc/97/76/74/817977674.db2.gz PDFWQBNQMMWUCT-ZDUSSCGKSA-N -1 3 274.368 3.460 20 0 CGADHM CCC(CC)[C@H](CC)Oc1nc(-c2cccnc2)n[n-]1 ZINC001228698326 817977679 /nfs/dbraw/zinc/97/76/79/817977679.db2.gz PDFWQBNQMMWUCT-ZDUSSCGKSA-N -1 3 274.368 3.460 20 0 CGADHM CCC(CC)[C@H](CC)Oc1n[n-]c(-c2cccnc2)n1 ZINC001228698326 817977683 /nfs/dbraw/zinc/97/76/83/817977683.db2.gz PDFWQBNQMMWUCT-ZDUSSCGKSA-N -1 3 274.368 3.460 20 0 CGADHM CC[C@@H](Oc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001231117191 818034104 /nfs/dbraw/zinc/03/41/04/818034104.db2.gz XCXXSCJKXAEGDR-OAHLLOKOSA-N -1 3 280.331 3.397 20 0 CGADHM CC[C@@H](Oc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001231117191 818034109 /nfs/dbraw/zinc/03/41/09/818034109.db2.gz XCXXSCJKXAEGDR-OAHLLOKOSA-N -1 3 280.331 3.397 20 0 CGADHM c1ccc2c(c1)CCC[C@@H]2Oc1cccc(-c2nnn[n-]2)c1 ZINC001231118092 818034228 /nfs/dbraw/zinc/03/42/28/818034228.db2.gz KCGPDQVCVRLDQZ-INIZCTEOSA-N -1 3 292.342 3.323 20 0 CGADHM c1ccc2c(c1)CCC[C@@H]2Oc1cccc(-c2nn[n-]n2)c1 ZINC001231118092 818034234 /nfs/dbraw/zinc/03/42/34/818034234.db2.gz KCGPDQVCVRLDQZ-INIZCTEOSA-N -1 3 292.342 3.323 20 0 CGADHM CCC1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001231118298 818035710 /nfs/dbraw/zinc/03/57/10/818035710.db2.gz KTYGVRJDSYYYFN-UHFFFAOYSA-N -1 3 272.352 3.214 20 0 CGADHM CCC1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001231118298 818035714 /nfs/dbraw/zinc/03/57/14/818035714.db2.gz KTYGVRJDSYYYFN-UHFFFAOYSA-N -1 3 272.352 3.214 20 0 CGADHM CC/C=C(\C)[C@H](CC)Oc1cccc(-c2nnn[n-]2)c1 ZINC001231121098 818036236 /nfs/dbraw/zinc/03/62/36/818036236.db2.gz GLJVBNRXZXGFFJ-OIOXUXFSSA-N -1 3 272.352 3.380 20 0 CGADHM CC/C=C(\C)[C@H](CC)Oc1cccc(-c2nn[n-]n2)c1 ZINC001231121098 818036242 /nfs/dbraw/zinc/03/62/42/818036242.db2.gz GLJVBNRXZXGFFJ-OIOXUXFSSA-N -1 3 272.352 3.380 20 0 CGADHM CCN(Cc1ccccc1F)Cc1nc(C)ccc1[O-] ZINC001231674539 818156920 /nfs/dbraw/zinc/15/69/20/818156920.db2.gz ZYNSKVDNQXMWFT-UHFFFAOYSA-N -1 3 274.339 3.257 20 0 CGADHM [O-]c1c(F)ccc(CN2CC[C@@H](c3cccnc3)C2)c1F ZINC001232935154 818477386 /nfs/dbraw/zinc/47/73/86/818477386.db2.gz OAALHSYBZXWTEZ-GFCCVEGCSA-N -1 3 290.313 3.055 20 0 CGADHM [O-]c1c(F)ccc(CN2CCC3(CCC3)C2)c1F ZINC001232936616 818477578 /nfs/dbraw/zinc/47/75/78/818477578.db2.gz DSSIJZBZXUARKO-UHFFFAOYSA-N -1 3 253.292 3.046 20 0 CGADHM C[C@@H]1CCC[C@H](C)N1Cc1cc([O-])c(F)c(F)c1 ZINC001232968342 818485255 /nfs/dbraw/zinc/48/52/55/818485255.db2.gz HTRUGQKUCFCYHC-AOOOYVTPSA-N -1 3 255.308 3.433 20 0 CGADHM C[C@H]1CCC[C@H](C)N1Cc1cc([O-])c(F)c(F)c1 ZINC001232968346 818486131 /nfs/dbraw/zinc/48/61/31/818486131.db2.gz HTRUGQKUCFCYHC-UWVGGRQHSA-N -1 3 255.308 3.433 20 0 CGADHM [O-]c1cc(CN2CCC3(CCCC3)C2)cc(F)c1F ZINC001232972411 818487849 /nfs/dbraw/zinc/48/78/49/818487849.db2.gz ZKUBGNQKISJBML-UHFFFAOYSA-N -1 3 267.319 3.437 20 0 CGADHM [O-]c1cc(CN2CC[C@H](c3cccnc3)C2)cc(F)c1F ZINC001232970202 818488485 /nfs/dbraw/zinc/48/84/85/818488485.db2.gz BODNCGRJGYWEPR-ZDUSSCGKSA-N -1 3 290.313 3.055 20 0 CGADHM C[C@H]1CCN(Cc2cccc([O-])c2F)CC1(F)F ZINC001233050575 818511235 /nfs/dbraw/zinc/51/12/35/818511235.db2.gz QDIMGWVUKJEDNG-VIFPVBQESA-N -1 3 259.271 3.008 20 0 CGADHM [O-]c1cccc(CN2CCc3c(F)cccc3C2)c1F ZINC001233058131 818515942 /nfs/dbraw/zinc/51/59/42/818515942.db2.gz TZNJHGVCJYOHEW-UHFFFAOYSA-N -1 3 275.298 3.229 20 0 CGADHM Cc1nc(C2CCN(Cc3ccc([S-])cc3)CC2)no1 ZINC001233261598 818558939 /nfs/dbraw/zinc/55/89/39/818558939.db2.gz VOIGJTIXILDFID-UHFFFAOYSA-N -1 3 289.404 3.046 20 0 CGADHM [O-]c1ccc(F)c(CN2CCC3(CC(F)C3)CC2)c1F ZINC001233393823 818608833 /nfs/dbraw/zinc/60/88/33/818608833.db2.gz NSZYELOZZVZVDN-UHFFFAOYSA-N -1 3 285.309 3.385 20 0 CGADHM [O-]c1ccc(F)c(CN2CCC3(CCCOC3)CC2)c1F ZINC001233396520 818611164 /nfs/dbraw/zinc/61/11/64/818611164.db2.gz HNCZLKSYMPWSTM-UHFFFAOYSA-N -1 3 297.345 3.063 20 0 CGADHM Cc1cc([O-])c(Cl)cc1OC[C@@H]1CC[C@H](C)O1 ZINC001233593400 818651957 /nfs/dbraw/zinc/65/19/57/818651957.db2.gz WZGGHPKTJZIWGK-UWVGGRQHSA-N -1 3 256.729 3.300 20 0 CGADHM CCCOC(=O)[C@@H](C)Oc1cc(Cl)c([O-])cc1C ZINC001233592999 818652531 /nfs/dbraw/zinc/65/25/31/818652531.db2.gz SJLLQKGOZXSJSY-SECBINFHSA-N -1 3 272.728 3.075 20 0 CGADHM CC[C@@H](CC(=O)OC)Oc1cc(Cl)c([O-])cc1C ZINC001233591962 818652753 /nfs/dbraw/zinc/65/27/53/818652753.db2.gz IPEUJVHTLBUULH-VIFPVBQESA-N -1 3 272.728 3.075 20 0 CGADHM COc1ccc(OC[C@@H](C)Oc2cccc([O-])c2F)cc1 ZINC001233870554 818720956 /nfs/dbraw/zinc/72/09/56/818720956.db2.gz FVDMOAHMIFYHQC-LLVKDONJSA-N -1 3 292.306 3.386 20 0 CGADHM Cn1c(-c2cc(-c3nnn[n-]3)ccc2F)cc2ccccc21 ZINC001243353354 823362328 /nfs/dbraw/zinc/36/23/28/823362328.db2.gz CUOAWJFOILKJCH-UHFFFAOYSA-N -1 3 293.305 3.165 20 0 CGADHM Cn1c(-c2cc(-c3nn[n-]n3)ccc2F)cc2ccccc21 ZINC001243353354 823362332 /nfs/dbraw/zinc/36/23/32/823362332.db2.gz CUOAWJFOILKJCH-UHFFFAOYSA-N -1 3 293.305 3.165 20 0 CGADHM CC(C)=CCC[C@H](C)Oc1cccc([O-])c1C(N)=O ZINC001234150580 818793631 /nfs/dbraw/zinc/79/36/31/818793631.db2.gz WGVZRLNGEAWKGB-NSHDSACASA-N -1 3 263.337 3.005 20 0 CGADHM CCC[C@@H](CC(=O)OC)Oc1c(Cl)ccc([O-])c1F ZINC001234263477 818819647 /nfs/dbraw/zinc/81/96/47/818819647.db2.gz BSVXVWUQRDYIEU-QMMMGPOBSA-N -1 3 290.718 3.295 20 0 CGADHM CO[C@@H](C)CO[C@H](C)COc1c([O-])cc(Cl)cc1F ZINC001234445077 818855701 /nfs/dbraw/zinc/85/57/01/818855701.db2.gz WSKDVKLXXHQMMB-DTWKUNHWSA-N -1 3 292.734 3.004 20 0 CGADHM CC(C)(C)N1CC(Oc2c([O-])cc(Cl)cc2F)C1 ZINC001234447708 818856875 /nfs/dbraw/zinc/85/68/75/818856875.db2.gz NBQJDYIUMYEQMT-UHFFFAOYSA-N -1 3 273.735 3.046 20 0 CGADHM C[C@@H](Cc1ccccc1)Oc1nc2c(cccc2[O-])[nH]1 ZINC001234448830 818857948 /nfs/dbraw/zinc/85/79/48/818857948.db2.gz ZVSCWMPKKGIQJF-NSHDSACASA-N -1 3 268.316 3.279 20 0 CGADHM CCC(CC)Oc1nc[n-]c(=O)c1-c1ccccc1 ZINC001234688105 818914384 /nfs/dbraw/zinc/91/43/84/818914384.db2.gz DWOBNKUTQPSFDM-UHFFFAOYSA-N -1 3 258.321 3.417 20 0 CGADHM C[C@@H](Oc1nc[n-]c(=O)c1-c1ccccc1)c1ccncc1 ZINC001234688562 818915209 /nfs/dbraw/zinc/91/52/09/818915209.db2.gz IMIGQYOSUZCAKO-GFCCVEGCSA-N -1 3 293.326 3.384 20 0 CGADHM COc1cc([O-])c(C)c(O[C@@H]2CC[C@H](C)C2)c1C(C)=O ZINC001234791781 818924890 /nfs/dbraw/zinc/92/48/90/818924890.db2.gz RFZILYSCQWTYFG-JOYOIKCWSA-N -1 3 278.348 3.479 20 0 CGADHM C[C@@H](Oc1nc2ccsc2[n-]1)c1cccnc1F ZINC001234846303 818930420 /nfs/dbraw/zinc/93/04/20/818930420.db2.gz BCAFJBXILKQESX-SSDOTTSWSA-N -1 3 263.297 3.299 20 0 CGADHM C[C@@H](Oc1nc2sccc2[n-]1)c1cccnc1F ZINC001234846303 818930427 /nfs/dbraw/zinc/93/04/27/818930427.db2.gz BCAFJBXILKQESX-SSDOTTSWSA-N -1 3 263.297 3.299 20 0 CGADHM CO[C@@H](COc1nc2ccsc2[n-]1)c1ccccc1 ZINC001234849090 818933490 /nfs/dbraw/zinc/93/34/90/818933490.db2.gz XZPJEWUDOQWEJK-LBPRGKRZSA-N -1 3 274.345 3.391 20 0 CGADHM CO[C@@H](COc1nc2sccc2[n-]1)c1ccccc1 ZINC001234849090 818933495 /nfs/dbraw/zinc/93/34/95/818933495.db2.gz XZPJEWUDOQWEJK-LBPRGKRZSA-N -1 3 274.345 3.391 20 0 CGADHM COC(=O)CC1CCC(Oc2nc3ccsc3[n-]2)CC1 ZINC001234856015 818936090 /nfs/dbraw/zinc/93/60/90/818936090.db2.gz UIMPBQFISKCKJA-UHFFFAOYSA-N -1 3 294.376 3.125 20 0 CGADHM COC(=O)CC1CCC(Oc2nc3sccc3[n-]2)CC1 ZINC001234856015 818936093 /nfs/dbraw/zinc/93/60/93/818936093.db2.gz UIMPBQFISKCKJA-UHFFFAOYSA-N -1 3 294.376 3.125 20 0 CGADHM C[C@H](Oc1nc(=O)[n-]c2c1SCCC2)c1ccccc1 ZINC001234905479 818949629 /nfs/dbraw/zinc/94/96/29/818949629.db2.gz GHEFPEFAAWHWKT-JTQLQIEISA-N -1 3 288.372 3.361 20 0 CGADHM CCOC(=O)c1cccnc1-c1cc([O-])cc(Cl)c1 ZINC001235899152 819209683 /nfs/dbraw/zinc/20/96/83/819209683.db2.gz GGNKTWHORJRWHU-UHFFFAOYSA-N -1 3 277.707 3.284 20 0 CGADHM [O-]c1cc(Cl)cc(-c2cc3c(nn2)CCCC3)c1 ZINC001235901325 819210754 /nfs/dbraw/zinc/21/07/54/819210754.db2.gz UFXSISZTEBUQTL-UHFFFAOYSA-N -1 3 260.724 3.381 20 0 CGADHM CC(=O)Nc1cccc(-c2cc([O-])cc(Cl)c2)n1 ZINC001235901885 819212539 /nfs/dbraw/zinc/21/25/39/819212539.db2.gz YSAXIQSVWPOHEZ-UHFFFAOYSA-N -1 3 262.696 3.066 20 0 CGADHM [O-]c1c(F)cc(F)c(-c2cc3nc[nH]c3cc2F)c1F ZINC001235999283 819267695 /nfs/dbraw/zinc/26/76/95/819267695.db2.gz BYIORZDXSQPQLR-UHFFFAOYSA-N -1 3 282.196 3.492 20 0 CGADHM Cc1ccc(F)c(-c2cnc(C(F)(F)F)nc2)c1[O-] ZINC001236402701 819452051 /nfs/dbraw/zinc/45/20/51/819452051.db2.gz NCXSBYUPMICJFL-UHFFFAOYSA-N -1 3 272.201 3.316 20 0 CGADHM [O-]c1c(F)cc(F)cc1-c1ccc2c(c1)NCCO2 ZINC001243504189 823422637 /nfs/dbraw/zinc/42/26/37/823422637.db2.gz NFGHPPVIRGIJCI-UHFFFAOYSA-N -1 3 263.243 3.142 20 0 CGADHM COc1ccc(-c2cc(F)cc(F)c2[O-])cc1NC(C)=O ZINC001243505032 823423399 /nfs/dbraw/zinc/42/33/99/823423399.db2.gz FWELKVHQUKDMGR-UHFFFAOYSA-N -1 3 293.269 3.304 20 0 CGADHM CCOc1c(F)cccc1-c1ccccc1-c1nnn[n-]1 ZINC001243534256 823433116 /nfs/dbraw/zinc/43/31/16/823433116.db2.gz FFXAIIBVPLDZJH-UHFFFAOYSA-N -1 3 284.294 3.072 20 0 CGADHM CCOc1c(F)cccc1-c1ccccc1-c1nn[n-]n1 ZINC001243534256 823433119 /nfs/dbraw/zinc/43/31/19/823433119.db2.gz FFXAIIBVPLDZJH-UHFFFAOYSA-N -1 3 284.294 3.072 20 0 CGADHM [O-]c1cccc(-c2ncnc3c2SCCC3)c1F ZINC001243542981 823436518 /nfs/dbraw/zinc/43/65/18/823436518.db2.gz BKTURZKKDIHQQH-UHFFFAOYSA-N -1 3 262.309 3.027 20 0 CGADHM [O-]c1cccc(-c2ccc3nc(C(F)(F)F)[nH]c3n2)c1F ZINC001243543801 823437328 /nfs/dbraw/zinc/43/73/28/823437328.db2.gz IRIXMLORYIPSRD-UHFFFAOYSA-N -1 3 297.211 3.488 20 0 CGADHM CC(=O)N1CCc2cc(-c3cccc([O-])c3F)ccc21 ZINC001243544555 823437374 /nfs/dbraw/zinc/43/73/74/823437374.db2.gz IAQOZUQTEPAIEH-UHFFFAOYSA-N -1 3 271.291 3.107 20 0 CGADHM [O-]c1cccc(-c2ccc(OCC3CC3)nc2)c1F ZINC001243545277 823437976 /nfs/dbraw/zinc/43/79/76/823437976.db2.gz BENMAJRRDPVTJP-UHFFFAOYSA-N -1 3 259.280 3.382 20 0 CGADHM CC[C@H](C)Oc1nccnc1-c1cccc([O-])c1F ZINC001243547009 823439882 /nfs/dbraw/zinc/43/98/82/823439882.db2.gz SLDZRGBXKFFMIM-VIFPVBQESA-N -1 3 262.284 3.166 20 0 CGADHM c1sc2ccccc2c1-c1cncc(-c2nnn[n-]2)c1 ZINC001238891562 820150169 /nfs/dbraw/zinc/15/01/69/820150169.db2.gz ZEULFTLIFZGITR-UHFFFAOYSA-N -1 3 279.328 3.143 20 0 CGADHM c1sc2ccccc2c1-c1cncc(-c2nn[n-]n2)c1 ZINC001238891562 820150175 /nfs/dbraw/zinc/15/01/75/820150175.db2.gz ZEULFTLIFZGITR-UHFFFAOYSA-N -1 3 279.328 3.143 20 0 CGADHM Fc1c(Cl)cccc1-c1cccc(-c2nnn[n-]2)c1 ZINC001238958454 820169125 /nfs/dbraw/zinc/16/91/25/820169125.db2.gz LBYWQSATBPAXHH-UHFFFAOYSA-N -1 3 274.686 3.326 20 0 CGADHM Fc1c(Cl)cccc1-c1cccc(-c2nn[n-]n2)c1 ZINC001238958454 820169127 /nfs/dbraw/zinc/16/91/27/820169127.db2.gz LBYWQSATBPAXHH-UHFFFAOYSA-N -1 3 274.686 3.326 20 0 CGADHM COc1ccc(-c2nnn[n-]2)cc1-c1ccc(SC)cc1 ZINC001239498978 820347919 /nfs/dbraw/zinc/34/79/19/820347919.db2.gz PFOCGJUTSYZAOM-UHFFFAOYSA-N -1 3 298.371 3.264 20 0 CGADHM COc1ccc(-c2nn[n-]n2)cc1-c1ccc(SC)cc1 ZINC001239498978 820347926 /nfs/dbraw/zinc/34/79/26/820347926.db2.gz PFOCGJUTSYZAOM-UHFFFAOYSA-N -1 3 298.371 3.264 20 0 CGADHM CCc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001239588647 820438454 /nfs/dbraw/zinc/43/84/54/820438454.db2.gz LXLLPTRGZDXECM-UHFFFAOYSA-N -1 3 250.305 3.096 20 0 CGADHM CCc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001239588647 820438456 /nfs/dbraw/zinc/43/84/56/820438456.db2.gz LXLLPTRGZDXECM-UHFFFAOYSA-N -1 3 250.305 3.096 20 0 CGADHM CC(=O)c1cccc(-c2ccc(-c3nnn[n-]3)cc2C)c1 ZINC001239638367 820483309 /nfs/dbraw/zinc/48/33/09/820483309.db2.gz QBEDUSUUZZHOJD-UHFFFAOYSA-N -1 3 278.315 3.045 20 0 CGADHM CC(=O)c1cccc(-c2ccc(-c3nn[n-]n3)cc2C)c1 ZINC001239638367 820483313 /nfs/dbraw/zinc/48/33/13/820483313.db2.gz QBEDUSUUZZHOJD-UHFFFAOYSA-N -1 3 278.315 3.045 20 0 CGADHM COc1ncccc1-c1ccc2c(c1)[N-]C(=S)C2 ZINC001239860348 820666787 /nfs/dbraw/zinc/66/67/87/820666787.db2.gz MPOFLXUKSMSTTR-UHFFFAOYSA-N -1 3 256.330 3.053 20 0 CGADHM Fc1ccc(-c2cncc3ccccc32)cc1-c1nnn[n-]1 ZINC001239947423 820727950 /nfs/dbraw/zinc/72/79/50/820727950.db2.gz REOZHYLRARYDED-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Fc1ccc(-c2cncc3ccccc32)cc1-c1nn[n-]n1 ZINC001239947423 820727954 /nfs/dbraw/zinc/72/79/54/820727954.db2.gz REOZHYLRARYDED-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Fc1cc(-c2cccc3cnccc32)ccc1-c1nnn[n-]1 ZINC001240010659 820777537 /nfs/dbraw/zinc/77/75/37/820777537.db2.gz TZGSUIBKTXQUOW-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Fc1cc(-c2cccc3cnccc32)ccc1-c1nn[n-]n1 ZINC001240010659 820777539 /nfs/dbraw/zinc/77/75/39/820777539.db2.gz TZGSUIBKTXQUOW-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM COc1cc(-c2ccc3c(c2)[N-]C(=S)C3)ccn1 ZINC001240259325 820926627 /nfs/dbraw/zinc/92/66/27/820926627.db2.gz ZVEHQLVFUHULCO-UHFFFAOYSA-N -1 3 256.330 3.053 20 0 CGADHM S=C1Cc2ccc(-c3cnc4[nH]ccc4c3)cc2[N-]1 ZINC001240394807 821019469 /nfs/dbraw/zinc/01/94/69/821019469.db2.gz IJSZRKMWZABZFS-UHFFFAOYSA-N -1 3 265.341 3.477 20 0 CGADHM FC(F)c1ccc(-c2ccc(Cc3nnn[n-]3)cc2)cc1 ZINC001240769396 821314259 /nfs/dbraw/zinc/31/42/59/821314259.db2.gz KXTYRBYIDZPZMW-UHFFFAOYSA-N -1 3 286.285 3.395 20 0 CGADHM FC(F)c1ccc(-c2ccc(Cc3nn[n-]n3)cc2)cc1 ZINC001240769396 821314270 /nfs/dbraw/zinc/31/42/70/821314270.db2.gz KXTYRBYIDZPZMW-UHFFFAOYSA-N -1 3 286.285 3.395 20 0 CGADHM Fc1cc(-c2nnn[n-]2)cc(-c2ccc3cc[nH]c3c2)c1 ZINC001240799774 821342906 /nfs/dbraw/zinc/34/29/06/821342906.db2.gz GEUGSFVNALFUDF-UHFFFAOYSA-N -1 3 279.278 3.154 20 0 CGADHM Fc1cc(-c2nn[n-]n2)cc(-c2ccc3cc[nH]c3c2)c1 ZINC001240799774 821342916 /nfs/dbraw/zinc/34/29/16/821342916.db2.gz GEUGSFVNALFUDF-UHFFFAOYSA-N -1 3 279.278 3.154 20 0 CGADHM Cc1cc(-c2ccc([O-])c(F)c2)nc(-c2ccncc2)n1 ZINC001240783068 821323627 /nfs/dbraw/zinc/32/36/27/821323627.db2.gz ORPMYEALGGMDCU-UHFFFAOYSA-N -1 3 281.290 3.359 20 0 CGADHM COC(=O)c1ccc(C)cc1-c1ccc([O-])c(F)c1 ZINC001240785867 821324232 /nfs/dbraw/zinc/32/42/32/821324232.db2.gz QVWGCQIBPUNSRH-UHFFFAOYSA-N -1 3 260.264 3.293 20 0 CGADHM [O-]c1ccc(-c2cc(F)c3nccnc3c2)cc1F ZINC001240786266 821326118 /nfs/dbraw/zinc/32/61/18/821326118.db2.gz DBIZGQIMSMJVGX-UHFFFAOYSA-N -1 3 258.227 3.281 20 0 CGADHM [O-]c1ccc(-c2ccc(N3CCOCC3)c(F)c2)cc1F ZINC001240786520 821326550 /nfs/dbraw/zinc/32/65/50/821326550.db2.gz LQHGWYAGJPNSID-UHFFFAOYSA-N -1 3 291.297 3.174 20 0 CGADHM Nc1cnc2c(cccc2-c2ccc([O-])c(F)c2)c1 ZINC001240787419 821328373 /nfs/dbraw/zinc/32/83/73/821328373.db2.gz CYVODXZTBOALFF-UHFFFAOYSA-N -1 3 254.264 3.329 20 0 CGADHM COC(=O)c1cc(C)cc(-c2ccc([O-])c(F)c2)c1 ZINC001240787137 821329734 /nfs/dbraw/zinc/32/97/34/821329734.db2.gz NHNYNNRTZYHHDS-UHFFFAOYSA-N -1 3 260.264 3.293 20 0 CGADHM COc1cc(-c2ccc([O-])c(F)c2)c2cc[nH]c2n1 ZINC001240788093 821329951 /nfs/dbraw/zinc/32/99/51/821329951.db2.gz BNHQOMVEHYATIJ-UHFFFAOYSA-N -1 3 258.252 3.083 20 0 CGADHM CC1(C)C(=O)NCc2cc(-c3ccc([O-])c(F)c3)ccc21 ZINC001240790088 821333005 /nfs/dbraw/zinc/33/30/05/821333005.db2.gz KIXIAGZZWBIXER-UHFFFAOYSA-N -1 3 285.318 3.106 20 0 CGADHM COc1ccc(-c2ccc([O-])c(F)c2)c(OC)c1F ZINC001240791307 821334834 /nfs/dbraw/zinc/33/48/34/821334834.db2.gz YYAWVQBGJIVVMM-UHFFFAOYSA-N -1 3 266.243 3.355 20 0 CGADHM c1ccc2cc(-c3cncc(-c4nnn[n-]4)c3)ccc2c1 ZINC001240911441 821408930 /nfs/dbraw/zinc/40/89/30/821408930.db2.gz VMCCJOFJORSRNH-UHFFFAOYSA-N -1 3 273.299 3.082 20 0 CGADHM c1ccc2cc(-c3cncc(-c4nn[n-]n4)c3)ccc2c1 ZINC001240911441 821408934 /nfs/dbraw/zinc/40/89/34/821408934.db2.gz VMCCJOFJORSRNH-UHFFFAOYSA-N -1 3 273.299 3.082 20 0 CGADHM Cc1ccc(F)cc1-c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001240922207 821417273 /nfs/dbraw/zinc/41/72/73/821417273.db2.gz ILPZRZVWXZOEQW-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM Cc1ccc(F)cc1-c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001240922207 821417276 /nfs/dbraw/zinc/41/72/76/821417276.db2.gz ILPZRZVWXZOEQW-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM Fc1cc(-c2ccc(-c3nnn[n-]3)c(F)c2)cc(F)c1F ZINC001240982513 821465350 /nfs/dbraw/zinc/46/53/50/821465350.db2.gz AIVTWPWYTBBWTA-UHFFFAOYSA-N -1 3 294.211 3.090 20 0 CGADHM Fc1cc(-c2ccc(-c3nn[n-]n3)c(F)c2)cc(F)c1F ZINC001240982513 821465356 /nfs/dbraw/zinc/46/53/56/821465356.db2.gz AIVTWPWYTBBWTA-UHFFFAOYSA-N -1 3 294.211 3.090 20 0 CGADHM Fc1cc(F)c(F)c(-c2cc(F)cc(-c3nnn[n-]3)c2)c1 ZINC001241099766 821556695 /nfs/dbraw/zinc/55/66/95/821556695.db2.gz CEMOYHAMURSTQK-UHFFFAOYSA-N -1 3 294.211 3.090 20 0 CGADHM Fc1cc(F)c(F)c(-c2cc(F)cc(-c3nn[n-]n3)c2)c1 ZINC001241099766 821556702 /nfs/dbraw/zinc/55/67/02/821556702.db2.gz CEMOYHAMURSTQK-UHFFFAOYSA-N -1 3 294.211 3.090 20 0 CGADHM Cc1ccc(C)c(-c2ccc(Cc3nnn[n-]3)cc2)c1 ZINC001241192283 821628583 /nfs/dbraw/zinc/62/85/83/821628583.db2.gz ZYDXAQUKTICFQU-UHFFFAOYSA-N -1 3 264.332 3.074 20 0 CGADHM Cc1ccc(C)c(-c2ccc(Cc3nn[n-]n3)cc2)c1 ZINC001241192283 821628588 /nfs/dbraw/zinc/62/85/88/821628588.db2.gz ZYDXAQUKTICFQU-UHFFFAOYSA-N -1 3 264.332 3.074 20 0 CGADHM Cc1cc(C(=O)OC(C)C)cnc1-c1cc([O-])cc(F)c1 ZINC001241261883 821681325 /nfs/dbraw/zinc/68/13/25/821681325.db2.gz FXDYKLOADIVUKR-UHFFFAOYSA-N -1 3 289.306 3.467 20 0 CGADHM COC(=O)c1ccc(C)cc1-c1cc([O-])cc(F)c1 ZINC001241266627 821685668 /nfs/dbraw/zinc/68/56/68/821685668.db2.gz NMTRZCQECXNBFZ-UHFFFAOYSA-N -1 3 260.264 3.293 20 0 CGADHM COc1c(F)cc(F)cc1-c1cc([O-])cc(F)c1 ZINC001241267071 821686548 /nfs/dbraw/zinc/68/65/48/821686548.db2.gz SQLKKHZNSIDOEG-UHFFFAOYSA-N -1 3 254.207 3.485 20 0 CGADHM COC(OC)c1ccccc1-c1cc([O-])cc(F)c1 ZINC001241266952 821686864 /nfs/dbraw/zinc/68/68/64/821686864.db2.gz PQVAOIMNDAEOPU-UHFFFAOYSA-N -1 3 262.280 3.490 20 0 CGADHM CCOC(=O)COc1ccc(-c2cc([O-])cc(F)c2)cc1 ZINC001241271295 821689963 /nfs/dbraw/zinc/68/99/63/821689963.db2.gz PSUMJONOEHOWDL-UHFFFAOYSA-N -1 3 290.290 3.140 20 0 CGADHM COc1cc(-c2cc([O-])cc(F)c2)cc(OC)c1OC ZINC001241271398 821690208 /nfs/dbraw/zinc/69/02/08/821690208.db2.gz FMXGLJAQXOCPBD-UHFFFAOYSA-N -1 3 278.279 3.224 20 0 CGADHM CCOc1ccc(-c2cc(-c3nnn[n-]3)ccc2F)c(C)c1 ZINC001241273244 821692162 /nfs/dbraw/zinc/69/21/62/821692162.db2.gz XNDDLPYTPOTBMU-UHFFFAOYSA-N -1 3 298.321 3.380 20 0 CGADHM CCOc1ccc(-c2cc(-c3nn[n-]n3)ccc2F)c(C)c1 ZINC001241273244 821692166 /nfs/dbraw/zinc/69/21/66/821692166.db2.gz XNDDLPYTPOTBMU-UHFFFAOYSA-N -1 3 298.321 3.380 20 0 CGADHM COC(=O)c1cc(F)c(C)c(-c2cc([O-])cc(F)c2)c1 ZINC001241278168 821696570 /nfs/dbraw/zinc/69/65/70/821696570.db2.gz VNZWFUFOOBKZMH-UHFFFAOYSA-N -1 3 278.254 3.432 20 0 CGADHM CC1(C)NC(=O)Cc2ccc(-c3cc([O-])cc(F)c3)cc21 ZINC001241280275 821698598 /nfs/dbraw/zinc/69/85/98/821698598.db2.gz HTCBXBNXBPTVMP-UHFFFAOYSA-N -1 3 285.318 3.106 20 0 CGADHM CC1(C)CNC(=O)c2cc(-c3cc([O-])cc(F)c3)ccc21 ZINC001241280707 821699333 /nfs/dbraw/zinc/69/93/33/821699333.db2.gz SFUYSXAYYAPQHP-UHFFFAOYSA-N -1 3 285.318 3.219 20 0 CGADHM [O-]c1cc(F)cc(-c2ccc3ncnn3c2C(F)(F)F)c1 ZINC001241282079 821701377 /nfs/dbraw/zinc/70/13/77/821701377.db2.gz HOCKDZMVKCFPOE-UHFFFAOYSA-N -1 3 297.211 3.260 20 0 CGADHM O=c1ccc2cccc(-c3c(F)ccc([O-])c3F)c2o1 ZINC001241292331 821709327 /nfs/dbraw/zinc/70/93/27/821709327.db2.gz BHXAKTNOVPOOKT-UHFFFAOYSA-N -1 3 274.222 3.444 20 0 CGADHM COC(=O)c1cc(-c2c(F)ccc([O-])c2F)ccc1F ZINC001241291853 821709507 /nfs/dbraw/zinc/70/95/07/821709507.db2.gz ZYLISAPUVCUGAD-UHFFFAOYSA-N -1 3 282.217 3.263 20 0 CGADHM Cn1cnc2ccc(-c3c(F)ccc([O-])c3F)cc21 ZINC001241293397 821710363 /nfs/dbraw/zinc/71/03/63/821710363.db2.gz VMOYPLNIBMTWOA-UHFFFAOYSA-N -1 3 260.243 3.224 20 0 CGADHM [O-]c1ccc(F)c(-c2cncc3cccnc32)c1F ZINC001241293313 821710885 /nfs/dbraw/zinc/71/08/85/821710885.db2.gz RNOWTMNUJOLMQL-UHFFFAOYSA-N -1 3 258.227 3.281 20 0 CGADHM [O-]c1ccc(F)c(-c2cnc(N3CCCCC3)nc2)c1F ZINC001241293361 821711606 /nfs/dbraw/zinc/71/16/06/821711606.db2.gz VHDKTKOFGALNND-UHFFFAOYSA-N -1 3 291.301 3.118 20 0 CGADHM CCOC(=O)c1ccc(-c2c(F)ccc([O-])c2F)c(C)n1 ZINC001241294224 821712443 /nfs/dbraw/zinc/71/24/43/821712443.db2.gz XZFLYDXALBVLIH-UHFFFAOYSA-N -1 3 293.269 3.218 20 0 CGADHM CCOC(=O)c1cc(C)c(-c2c(F)ccc([O-])c2F)cn1 ZINC001241295331 821713766 /nfs/dbraw/zinc/71/37/66/821713766.db2.gz OSOJVZOEUOPBFH-UHFFFAOYSA-N -1 3 293.269 3.218 20 0 CGADHM CCc1nc(OC)ccc1-c1c(F)ccc([O-])c1F ZINC001241295183 821714258 /nfs/dbraw/zinc/71/42/58/821714258.db2.gz HYWNXXNNFGQRIF-UHFFFAOYSA-N -1 3 265.259 3.303 20 0 CGADHM Fc1ccc2nc(-c3ccc(-c4nnn[n-]4)cc3)ccc2c1 ZINC001241441711 821835931 /nfs/dbraw/zinc/83/59/31/821835931.db2.gz UCDSORVZPUPZPY-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Fc1ccc2nc(-c3ccc(-c4nn[n-]n4)cc3)ccc2c1 ZINC001241441711 821835937 /nfs/dbraw/zinc/83/59/37/821835937.db2.gz UCDSORVZPUPZPY-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Fc1cc(-c2ccc(-c3nnn[n-]3)cc2)cc2cc[nH]c21 ZINC001241444856 821837947 /nfs/dbraw/zinc/83/79/47/821837947.db2.gz XRUMCMRNSXQJPE-UHFFFAOYSA-N -1 3 279.278 3.154 20 0 CGADHM Fc1cc(-c2ccc(-c3nn[n-]n3)cc2)cc2cc[nH]c21 ZINC001241444856 821837953 /nfs/dbraw/zinc/83/79/53/821837953.db2.gz XRUMCMRNSXQJPE-UHFFFAOYSA-N -1 3 279.278 3.154 20 0 CGADHM Cc1cc(C)c(F)c(-c2ccc(-c3nnn[n-]3)cc2)c1 ZINC001241444392 821838113 /nfs/dbraw/zinc/83/81/13/821838113.db2.gz BESQGVJBSRYZCU-UHFFFAOYSA-N -1 3 268.295 3.290 20 0 CGADHM Cc1cc(C)c(F)c(-c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001241444392 821838118 /nfs/dbraw/zinc/83/81/18/821838118.db2.gz BESQGVJBSRYZCU-UHFFFAOYSA-N -1 3 268.295 3.290 20 0 CGADHM c1ccn(-c2cccc(-c3ccc(-c4nnn[n-]4)cc3)c2)c1 ZINC001241444024 821838959 /nfs/dbraw/zinc/83/89/59/821838959.db2.gz NCRABVMNOLHRFZ-UHFFFAOYSA-N -1 3 287.326 3.324 20 0 CGADHM c1ccn(-c2cccc(-c3ccc(-c4nn[n-]n4)cc3)c2)c1 ZINC001241444024 821838968 /nfs/dbraw/zinc/83/89/68/821838968.db2.gz NCRABVMNOLHRFZ-UHFFFAOYSA-N -1 3 287.326 3.324 20 0 CGADHM FC(F)c1ccccc1-c1ccc(-c2nnn[n-]2)cc1 ZINC001241444283 821838980 /nfs/dbraw/zinc/83/89/80/821838980.db2.gz QFBXDOUSRLDLGG-UHFFFAOYSA-N -1 3 272.258 3.471 20 0 CGADHM FC(F)c1ccccc1-c1ccc(-c2nn[n-]n2)cc1 ZINC001241444283 821838984 /nfs/dbraw/zinc/83/89/84/821838984.db2.gz QFBXDOUSRLDLGG-UHFFFAOYSA-N -1 3 272.258 3.471 20 0 CGADHM Fc1ccc(-c2ccc(-c3nnn[n-]3)cc2)c2cccnc12 ZINC001241445115 821840028 /nfs/dbraw/zinc/84/00/28/821840028.db2.gz KVWPJGCXOTWZQW-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Fc1ccc(-c2ccc(-c3nn[n-]n3)cc2)c2cccnc12 ZINC001241445115 821840034 /nfs/dbraw/zinc/84/00/34/821840034.db2.gz KVWPJGCXOTWZQW-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM c1coc(-c2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc2)n1 ZINC001241445596 821841634 /nfs/dbraw/zinc/84/16/34/821841634.db2.gz QBGLFHCEYOPPPS-UHFFFAOYSA-N -1 3 289.298 3.189 20 0 CGADHM c1coc(-c2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc2)n1 ZINC001241445596 821841636 /nfs/dbraw/zinc/84/16/36/821841636.db2.gz QBGLFHCEYOPPPS-UHFFFAOYSA-N -1 3 289.298 3.189 20 0 CGADHM Cn1ccc2c1cccc2-c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001241824547 822165055 /nfs/dbraw/zinc/16/50/55/822165055.db2.gz QQXWIZNBVBPFGL-UHFFFAOYSA-N -1 3 293.305 3.165 20 0 CGADHM Cn1ccc2c1cccc2-c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001241824547 822165058 /nfs/dbraw/zinc/16/50/58/822165058.db2.gz QQXWIZNBVBPFGL-UHFFFAOYSA-N -1 3 293.305 3.165 20 0 CGADHM Cn1ccc2c1cccc2-c1cc(-c2nnn[n-]2)ccc1F ZINC001241824530 822165343 /nfs/dbraw/zinc/16/53/43/822165343.db2.gz PWBSGPCMHOXZSA-UHFFFAOYSA-N -1 3 293.305 3.165 20 0 CGADHM Cn1ccc2c1cccc2-c1cc(-c2nn[n-]n2)ccc1F ZINC001241824530 822165349 /nfs/dbraw/zinc/16/53/49/822165349.db2.gz PWBSGPCMHOXZSA-UHFFFAOYSA-N -1 3 293.305 3.165 20 0 CGADHM S=c1ccc(-c2ccc(-c3cccnc3)cc2)n[n-]1 ZINC001241845092 822178695 /nfs/dbraw/zinc/17/86/95/822178695.db2.gz FOIRNJCIRNTLLJ-UHFFFAOYSA-N -1 3 265.341 3.494 20 0 CGADHM c1nc2cc(-c3ccc(Cc4nnn[n-]4)cc3)ccc2s1 ZINC001241869783 822188174 /nfs/dbraw/zinc/18/81/74/822188174.db2.gz QLYJZAPNKKLVET-UHFFFAOYSA-N -1 3 293.355 3.067 20 0 CGADHM c1nc2cc(-c3ccc(Cc4nn[n-]n4)cc3)ccc2s1 ZINC001241869783 822188176 /nfs/dbraw/zinc/18/81/76/822188176.db2.gz QLYJZAPNKKLVET-UHFFFAOYSA-N -1 3 293.355 3.067 20 0 CGADHM C=Cc1cccc(-c2ccc(Cc3nnn[n-]3)cc2)c1 ZINC001241961601 822247738 /nfs/dbraw/zinc/24/77/38/822247738.db2.gz HHBCQGNNXICALV-UHFFFAOYSA-N -1 3 262.316 3.101 20 0 CGADHM C=Cc1cccc(-c2ccc(Cc3nn[n-]n3)cc2)c1 ZINC001241961601 822247740 /nfs/dbraw/zinc/24/77/40/822247740.db2.gz HHBCQGNNXICALV-UHFFFAOYSA-N -1 3 262.316 3.101 20 0 CGADHM Cc1ccc(-c2ccc(F)c(-c3nnn[n-]3)c2)c(F)c1F ZINC001242030328 822293767 /nfs/dbraw/zinc/29/37/67/822293767.db2.gz CTIIZVZGIOXRAT-UHFFFAOYSA-N -1 3 290.248 3.259 20 0 CGADHM Cc1ccc(-c2ccc(F)c(-c3nn[n-]n3)c2)c(F)c1F ZINC001242030328 822293778 /nfs/dbraw/zinc/29/37/78/822293778.db2.gz CTIIZVZGIOXRAT-UHFFFAOYSA-N -1 3 290.248 3.259 20 0 CGADHM [O-]c1ccc(-c2ccc(=S)[nH]n2)cc1C(F)(F)F ZINC001242152246 822895948 /nfs/dbraw/zinc/89/59/48/822895948.db2.gz AHSVGRDYTUYNEG-UHFFFAOYSA-N -1 3 272.251 3.157 20 0 CGADHM COC(=O)c1c(F)ccc(-c2ccc(F)cc2[O-])c1OC ZINC001242219330 822915795 /nfs/dbraw/zinc/91/57/95/822915795.db2.gz DLTTWVOWHMQKHL-UHFFFAOYSA-N -1 3 294.253 3.133 20 0 CGADHM Nc1cnc2c(cccc2-c2ccc(F)cc2[O-])c1 ZINC001242219611 822916199 /nfs/dbraw/zinc/91/61/99/822916199.db2.gz XKPWPNREEYXALJ-UHFFFAOYSA-N -1 3 254.264 3.329 20 0 CGADHM O=C1CSCN1c1ccc(-c2ccc(F)cc2[O-])cc1 ZINC001242221263 822916631 /nfs/dbraw/zinc/91/66/31/822916631.db2.gz VDUMIDRJZMEMJC-UHFFFAOYSA-N -1 3 289.331 3.236 20 0 CGADHM CCOC(=O)c1ccc(-c2ccc(F)cc2[O-])cc1OC ZINC001242221039 822916944 /nfs/dbraw/zinc/91/69/44/822916944.db2.gz HYKKAZGCVXHNOA-UHFFFAOYSA-N -1 3 290.290 3.384 20 0 CGADHM CC(C)Oc1ccccc1-c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001242225229 822918261 /nfs/dbraw/zinc/91/82/61/822918261.db2.gz OGAJHTVLAYPCKA-UHFFFAOYSA-N -1 3 298.321 3.460 20 0 CGADHM CC(C)Oc1ccccc1-c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001242225229 822918264 /nfs/dbraw/zinc/91/82/64/822918264.db2.gz OGAJHTVLAYPCKA-UHFFFAOYSA-N -1 3 298.321 3.460 20 0 CGADHM Fc1cc(F)c(-c2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC001242291622 822941015 /nfs/dbraw/zinc/94/10/15/822941015.db2.gz XNIFPSWALMMDQA-UHFFFAOYSA-N -1 3 292.676 3.465 20 0 CGADHM Fc1cc(F)c(-c2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC001242291622 822941017 /nfs/dbraw/zinc/94/10/17/822941017.db2.gz XNIFPSWALMMDQA-UHFFFAOYSA-N -1 3 292.676 3.465 20 0 CGADHM Cc1c(F)c(F)ccc1-c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001242307391 822946533 /nfs/dbraw/zinc/94/65/33/822946533.db2.gz NFYJGBQAZWCEKC-UHFFFAOYSA-N -1 3 290.248 3.259 20 0 CGADHM Cc1c(F)c(F)ccc1-c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001242307391 822946538 /nfs/dbraw/zinc/94/65/38/822946538.db2.gz NFYJGBQAZWCEKC-UHFFFAOYSA-N -1 3 290.248 3.259 20 0 CGADHM [O-]c1c(F)cccc1-c1ccccc1CN1CCOCC1 ZINC001242350156 822960681 /nfs/dbraw/zinc/96/06/81/822960681.db2.gz APGZLEAXFKPIRZ-UHFFFAOYSA-N -1 3 287.334 3.031 20 0 CGADHM COC(=O)c1c(F)cc(-c2cccc(F)c2[O-])cc1F ZINC001242351457 822961077 /nfs/dbraw/zinc/96/10/77/822961077.db2.gz LOTSRAPPDOAFHA-UHFFFAOYSA-N -1 3 282.217 3.263 20 0 CGADHM O=C1CCc2cccc(-c3cccc(F)c3[O-])c2N1 ZINC001242351236 822961096 /nfs/dbraw/zinc/96/10/96/822961096.db2.gz TVHMJWBRDVJMES-UHFFFAOYSA-N -1 3 257.264 3.083 20 0 CGADHM [O-]c1c(F)cccc1-c1cccc(C2OCCO2)c1 ZINC001242351659 822961908 /nfs/dbraw/zinc/96/19/08/822961908.db2.gz NMDQGQXBZXNUOE-UHFFFAOYSA-N -1 3 260.264 3.244 20 0 CGADHM Nc1cnc2cc(-c3cccc(F)c3[O-])ccc2c1 ZINC001242351897 822961946 /nfs/dbraw/zinc/96/19/46/822961946.db2.gz AFTLAKWSLRNENV-UHFFFAOYSA-N -1 3 254.264 3.329 20 0 CGADHM Cc1ccccc1C(F)(F)C(=O)[N-][C@H]1CCCC1(F)F ZINC001343041164 936487447 /nfs/dbraw/zinc/48/74/47/936487447.db2.gz BKETZRRIHJGIHE-NSHDSACASA-N -1 3 289.272 3.391 20 0 CGADHM O=C([N-][C@H](c1ccc(F)c(Cl)c1)C1CC1)C(F)F ZINC001344400449 936532549 /nfs/dbraw/zinc/53/25/49/936532549.db2.gz DGBOAVGQYJAOGJ-JTQLQIEISA-N -1 3 277.673 3.312 20 0 CGADHM CC1(COC(=O)c2cccc3[n-]c(C(F)F)nc32)CC1 ZINC001344869295 936547367 /nfs/dbraw/zinc/54/73/67/936547367.db2.gz AYLZNTXMURDEOX-UHFFFAOYSA-N -1 3 280.274 3.457 20 0 CGADHM Cc1ccc(CNC(=S)Nc2ccc([O-])c(F)c2)cc1 ZINC001200313828 937063523 /nfs/dbraw/zinc/06/35/23/937063523.db2.gz QNJYCAGFTOVPIB-UHFFFAOYSA-N -1 3 290.363 3.326 20 0 CGADHM Cc1nc(C(=O)[N-]c2csnc2-c2ccccc2)co1 ZINC001360451462 937219648 /nfs/dbraw/zinc/21/96/48/937219648.db2.gz MLJWMNWBYIAHNI-UHFFFAOYSA-N -1 3 285.328 3.359 20 0 CGADHM CSc1ccc([O-])c(C(=O)N[C@H](C)c2ccccn2)c1 ZINC001417597295 937245539 /nfs/dbraw/zinc/24/55/39/937245539.db2.gz LSZGZJSHCATNBV-SNVBAGLBSA-N -1 3 288.372 3.000 20 0 CGADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1ccc(C2CC2)cc1 ZINC001439510876 937318157 /nfs/dbraw/zinc/31/81/57/937318157.db2.gz MLVAHGVCVBNQDH-UHFFFAOYSA-N -1 3 294.314 3.194 20 0 CGADHM CC[C@@H](CCc1ccccc1)NC(=O)c1ccc(O)cc1[O-] ZINC001453464847 937402903 /nfs/dbraw/zinc/40/29/03/937402903.db2.gz KBZNBCIEECUVJV-AWEZNQCLSA-N -1 3 299.370 3.239 20 0 CGADHM CCC1(CC)[C@H](OC)C[C@@H]1NC(=O)c1ccc(C)cc1[O-] ZINC001546060795 937408415 /nfs/dbraw/zinc/40/84/15/937408415.db2.gz JREGVOFQMCAEIP-LSDHHAIUSA-N -1 3 291.391 3.024 20 0 CGADHM O=C([O-])[C@@H]1CN(C[C@@H]2CC=CCC2)Cc2ccccc21 ZINC000402398908 932017870 /nfs/dbraw/zinc/01/78/70/932017870.db2.gz MUHOJCGHKDIHPD-CZUORRHYSA-N -1 3 271.360 3.027 20 0 CGADHM CCC(=O)[C@H](CC)Oc1cccc([O-])c1Br ZINC001229140834 932104904 /nfs/dbraw/zinc/10/49/04/932104904.db2.gz GJYQVFUCOMPQSR-JTQLQIEISA-N -1 3 287.153 3.291 20 0 CGADHM COc1cccc2nc(=O)[n-]c(O[C@@H]3CCCC[C@H]3F)c21 ZINC001229240627 932121216 /nfs/dbraw/zinc/12/12/16/932121216.db2.gz XMQJEJJQXNYHOX-MWLCHTKSSA-N -1 3 292.310 3.004 20 0 CGADHM Cc1csc2[n-]c(=S)nc(O[C@H]3CCCCC3=O)c12 ZINC001229351673 932136868 /nfs/dbraw/zinc/13/68/68/932136868.db2.gz CUYKSIMZIXSRSK-VIFPVBQESA-N -1 3 294.401 3.179 20 0 CGADHM Cc1nc(O[C@H](c2ccccc2)C2CC2)c(C)c(=O)[n-]1 ZINC001229683666 932188924 /nfs/dbraw/zinc/18/89/24/932188924.db2.gz JJACHKCEOPFQCG-CQSZACIVSA-N -1 3 270.332 3.329 20 0 CGADHM CC(C)O[N-]C(=O)CCCCC(=O)c1ccc(F)cc1 ZINC001330788915 932489411 /nfs/dbraw/zinc/48/94/11/932489411.db2.gz BAVZOLVPQNRFTA-UHFFFAOYSA-N -1 3 281.327 3.025 20 0 CGADHM CC[C@H](C)CC[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC001229952269 932507143 /nfs/dbraw/zinc/50/71/43/932507143.db2.gz ACWALCIUJGVVKW-NWDGAFQWSA-N -1 3 274.368 3.460 20 0 CGADHM CC[C@H](C)CC[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC001229952269 932507146 /nfs/dbraw/zinc/50/71/46/932507146.db2.gz ACWALCIUJGVVKW-NWDGAFQWSA-N -1 3 274.368 3.460 20 0 CGADHM C[C@H]1C[C@@H](Oc2ccccc2-c2nnn[n-]2)CC(C)(C)C1 ZINC001229955288 932508972 /nfs/dbraw/zinc/50/89/72/932508972.db2.gz SWPAPOCGWJWLDM-NWDGAFQWSA-N -1 3 286.379 3.460 20 0 CGADHM C[C@H]1C[C@@H](Oc2ccccc2-c2nn[n-]n2)CC(C)(C)C1 ZINC001229955288 932508978 /nfs/dbraw/zinc/50/89/78/932508978.db2.gz SWPAPOCGWJWLDM-NWDGAFQWSA-N -1 3 286.379 3.460 20 0 CGADHM C[C@H](Oc1nc(=O)[n-]c2c1SCC2)c1ccc(F)cc1 ZINC001230790729 932625027 /nfs/dbraw/zinc/62/50/27/932625027.db2.gz SHGCKOMQJBTJSG-QMMMGPOBSA-N -1 3 292.335 3.110 20 0 CGADHM CCC[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)[C@H](C)CC ZINC001231073009 932671007 /nfs/dbraw/zinc/67/10/07/932671007.db2.gz IKAQOKRDXXQTGI-BXUZGUMPSA-N -1 3 274.368 3.460 20 0 CGADHM Fc1ccc2c(c1)CC[C@H]2Oc1ccc(-c2nn[n-]n2)cc1 ZINC001231077845 932672227 /nfs/dbraw/zinc/67/22/27/932672227.db2.gz XDIUTJKRYRRVPT-OAHLLOKOSA-N -1 3 296.305 3.072 20 0 CGADHM CCC[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(C)(C)C ZINC001231074585 932672355 /nfs/dbraw/zinc/67/23/55/932672355.db2.gz WHMSQADNRXNBFV-ZDUSSCGKSA-N -1 3 274.368 3.460 20 0 CGADHM O=C([N-]c1nocc1C1CC1)c1coc(C2CCC2)n1 ZINC001462555446 937650356 /nfs/dbraw/zinc/65/03/56/937650356.db2.gz MNFBRDCNULPFBV-UHFFFAOYSA-N -1 3 273.292 3.060 20 0 CGADHM CCc1ccc(C(=O)NC[C@@H]2Cc3ccccc32)c([O-])c1 ZINC001464316068 937689114 /nfs/dbraw/zinc/68/91/14/937689114.db2.gz IEEHZDCDCJCCNA-AWEZNQCLSA-N -1 3 281.355 3.024 20 0 CGADHM CC(C)O[N-]C(=O)CCc1ccc(F)c2c1CCCC2 ZINC001468459105 937728335 /nfs/dbraw/zinc/72/83/35/937728335.db2.gz BTIJCYPIEZOFNE-UHFFFAOYSA-N -1 3 279.355 3.093 20 0 CGADHM CC(=O)c1cc(NC(=O)c2ccc(C)cc2[O-])ccc1C ZINC001469525144 937740339 /nfs/dbraw/zinc/74/03/39/937740339.db2.gz YMJDZDSQOXQSBH-UHFFFAOYSA-N -1 3 283.327 3.464 20 0 CGADHM CC(C)(NC(=O)c1ccc(O)cc1[O-])C1CCCCC1 ZINC001320788009 934104168 /nfs/dbraw/zinc/10/41/68/934104168.db2.gz FVHZXGYYAIVULQ-UHFFFAOYSA-N -1 3 277.364 3.187 20 0 CGADHM CCc1ccc(C(=O)N[C@@H]2CCc3ccc(O)cc32)c([O-])c1 ZINC001470255744 937750053 /nfs/dbraw/zinc/75/00/53/937750053.db2.gz ZPJGRMLIDPPBLF-MRXNPFEDSA-N -1 3 297.354 3.078 20 0 CGADHM Cc1cc(F)c(CNC(=O)c2c(C)cccc2[O-])c(F)c1 ZINC001472035098 937772180 /nfs/dbraw/zinc/77/21/80/937772180.db2.gz ASYFCFQONZKKAB-UHFFFAOYSA-N -1 3 291.297 3.217 20 0 CGADHM CCc1ccc(C(=O)N[C@H](CC)C(F)(F)F)c([O-])c1 ZINC001472459783 937776560 /nfs/dbraw/zinc/77/65/60/937776560.db2.gz ZDOFJJZARWCBOQ-LLVKDONJSA-N -1 3 275.270 3.025 20 0 CGADHM C[C@H]1CCCC[C@@H]1CCNC(=O)c1c([O-])cccc1O ZINC001472509046 937777093 /nfs/dbraw/zinc/77/70/93/937777093.db2.gz MSAYGHSQZYLBHG-NWDGAFQWSA-N -1 3 277.364 3.044 20 0 CGADHM CC(C)(C)O[N-]C(=O)Cc1cccc(C(F)F)c1 ZINC001324918812 934872704 /nfs/dbraw/zinc/87/27/04/934872704.db2.gz JWXSJQFBGKHNPU-UHFFFAOYSA-N -1 3 257.280 3.013 20 0 CGADHM COc1cc(C=Cc2cc(=O)[n-]c(C3CC3)n2)ccc1F ZINC001325574051 934919404 /nfs/dbraw/zinc/91/94/04/934919404.db2.gz KUUDTSKZMZSVHJ-KXFIGUGUSA-N -1 3 286.306 3.378 20 0 CGADHM Cc1cnc(CSCc2cc(=O)[n-]c(C3CC3)n2)s1 ZINC001326165099 934955725 /nfs/dbraw/zinc/95/57/25/934955725.db2.gz NUGAENJCBJEJMS-UHFFFAOYSA-N -1 3 293.417 3.258 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC001326427967 934978927 /nfs/dbraw/zinc/97/89/27/934978927.db2.gz WLLWOPIGYQGRMV-UONOGXRCSA-N -1 3 291.366 3.113 20 0 CGADHM CN(CCC(F)(F)F)[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC001326802934 935009436 /nfs/dbraw/zinc/00/94/36/935009436.db2.gz ARVNSJNFEXCDNC-JTQLQIEISA-N -1 3 295.688 3.350 20 0 CGADHM CC(C)c1nc(CN[C@@]2(C)CCCC[C@H]2C(=O)[O-])cs1 ZINC001332423641 935468365 /nfs/dbraw/zinc/46/83/65/935468365.db2.gz RESAJHYRJKVCTM-WFASDCNBSA-N -1 3 296.436 3.390 20 0 CGADHM O=C(Nc1ccc(Br)cc1[O-])C1(C2CC2)CC1 ZINC001333092471 935510082 /nfs/dbraw/zinc/51/00/82/935510082.db2.gz YIOGLXWXROZJSS-UHFFFAOYSA-N -1 3 296.164 3.283 20 0 CGADHM O=C([O-])c1cc(CN[C@@H](c2ccccc2)C2CCCC2)[nH]n1 ZINC001333137495 935513262 /nfs/dbraw/zinc/51/32/62/935513262.db2.gz UHEPZZNVODFBKC-INIZCTEOSA-N -1 3 299.374 3.129 20 0 CGADHM O=C([O-])C[C@H](NCc1csc(C2CC2)n1)C1CCCC1 ZINC001334091253 936084183 /nfs/dbraw/zinc/08/41/83/936084183.db2.gz ZQVWVPYBTZOYLB-ZDUSSCGKSA-N -1 3 294.420 3.144 20 0 CGADHM O=C([O-])C[C@@H](NCc1csc(C2CC2)n1)C1CCCC1 ZINC001334091252 936084636 /nfs/dbraw/zinc/08/46/36/936084636.db2.gz ZQVWVPYBTZOYLB-CYBMUJFWSA-N -1 3 294.420 3.144 20 0 CGADHM CC[C@H](Nc1cc(=O)[n-]c(COC)n1)c1ccc(F)cc1 ZINC001334981920 936125296 /nfs/dbraw/zinc/12/52/96/936125296.db2.gz IGNIUDDDKLTPLP-LBPRGKRZSA-N -1 3 291.326 3.031 20 0 CGADHM CCC[C@H](O)CCCSCc1cc(=O)[n-]c(C2CC2)n1 ZINC001335497353 936149236 /nfs/dbraw/zinc/14/92/36/936149236.db2.gz JYZFCBBMFRZXKP-ZDUSSCGKSA-N -1 3 296.436 3.234 20 0 CGADHM CC(=O)c1csc(C(=O)[N-]c2cnoc2C(C)C)c1 ZINC001336630029 936202271 /nfs/dbraw/zinc/20/22/71/936202271.db2.gz TURWYKUANZYZQJ-UHFFFAOYSA-N -1 3 278.333 3.314 20 0 CGADHM CC[C@@H](F)C(=O)[N-][C@H](c1c(F)cccc1F)C(F)(F)F ZINC001337213027 936243723 /nfs/dbraw/zinc/24/37/23/936243723.db2.gz UAQIEWGSLJHMKY-LHLIQPBNSA-N -1 3 299.214 3.433 20 0 CGADHM CCc1coc([N-]C(=O)c2oc(C3CC3)nc2C(F)F)n1 ZINC001337437241 936258926 /nfs/dbraw/zinc/25/89/26/936258926.db2.gz MEGBXIIXCWBPDO-UHFFFAOYSA-N -1 3 297.261 3.292 20 0 CGADHM Cc1cc(=O)[n-]c(NCc2csc3ccccc23)n1 ZINC001337654960 936277643 /nfs/dbraw/zinc/27/76/43/936277643.db2.gz KHLXACAVOUVYAY-UHFFFAOYSA-N -1 3 271.345 3.317 20 0 CGADHM Cc1cc([N-]C(=O)c2c(F)ccc(F)c2Cl)no1 ZINC001517514587 938012191 /nfs/dbraw/zinc/01/21/91/938012191.db2.gz WQUQGBJPOLUWOB-UHFFFAOYSA-N -1 3 272.638 3.167 20 0 CGADHM O=C([N-]c1nnc(C(F)F)s1)c1cscc1Cl ZINC001528022064 938064882 /nfs/dbraw/zinc/06/48/82/938064882.db2.gz CATIPSMXVIGAKT-UHFFFAOYSA-N -1 3 295.723 3.443 20 0 CGADHM CSc1c(F)cccc1[N-]C(=O)c1cccnc1F ZINC001531813155 938083119 /nfs/dbraw/zinc/08/31/19/938083119.db2.gz WTVHQYHYILNGDU-UHFFFAOYSA-N -1 3 280.299 3.334 20 0 CGADHM O=C(Nc1ccc2sccc2c1)c1cccc2n[n-]nc21 ZINC001540593723 938132325 /nfs/dbraw/zinc/13/23/25/938132325.db2.gz IVZVLSXSESEBAA-UHFFFAOYSA-N -1 3 294.339 3.425 20 0 CGADHM O=C(NCC1CCCCCCC1)c1ccccc1[O-] ZINC001543327699 938138877 /nfs/dbraw/zinc/13/88/77/938138877.db2.gz NIRLJYGVKHCOKA-UHFFFAOYSA-N -1 3 261.365 3.483 20 0 CGADHM COc1ccc(C(=O)N2CC[C@H]2C2CCCCC2)c([O-])c1 ZINC001551763792 938186038 /nfs/dbraw/zinc/18/60/38/938186038.db2.gz CUUPJWIULABZKK-HNNXBMFYSA-N -1 3 289.375 3.196 20 0 CGADHM CCCO[N-]C(=O)[C@H]1C2CCC(CC2)[C@H]1C(F)(F)F ZINC001552166145 938190504 /nfs/dbraw/zinc/19/05/04/938190504.db2.gz ZUUHWPYQOIPEGC-WFBLGPOFSA-N -1 3 279.302 3.059 20 0 CGADHM Cc1nc2c(o1)CCC[C@@H]2CC(=O)[N-]OC1CCCCC1 ZINC001553583223 938199631 /nfs/dbraw/zinc/19/96/31/938199631.db2.gz LTRJFKOJPJGWAB-GFCCVEGCSA-N -1 3 292.379 3.174 20 0 CGADHM O=C(C[C@@H]1C[C@H]1C1CC1)Nc1ccc(Cl)cc1[O-] ZINC001556081973 938201628 /nfs/dbraw/zinc/20/16/28/938201628.db2.gz UKYCXCAQZIISDY-ONGXEEELSA-N -1 3 265.740 3.420 20 0 CGADHM CCCC[C@@H](C(=O)Nc1ncccc1[O-])C(C)C ZINC001556163737 938202113 /nfs/dbraw/zinc/20/21/13/938202113.db2.gz JZZOGIGIZMEZHI-LLVKDONJSA-N -1 3 250.342 3.188 20 0 CGADHM COc1cc(O)ccc1NC(=O)c1cc([O-])ccc1Cl ZINC001558357598 938214824 /nfs/dbraw/zinc/21/48/24/938214824.db2.gz MSAUOHHPILLNBI-UHFFFAOYSA-N -1 3 293.706 3.012 20 0 CGADHM CC(C)(C)O[N-]C(=O)C[C@@H](c1cccs1)n1cccc1 ZINC001558954486 938218721 /nfs/dbraw/zinc/21/87/21/938218721.db2.gz NAKQGBUWHUSUCW-LBPRGKRZSA-N -1 3 292.404 3.375 20 0 CGADHM C[C@H](CC(F)(F)F)NCc1ccc([O-])c(F)c1F ZINC001560736688 938272911 /nfs/dbraw/zinc/27/29/11/938272911.db2.gz WWHJBKBDSZRDGF-ZCFIWIBFSA-N -1 3 269.213 3.101 20 0 CGADHM CCOc1cccc(Cl)c1CN(C)[C@@H](CC)C(=O)[O-] ZINC001592993345 951381591 /nfs/dbraw/zinc/38/15/91/951381591.db2.gz KBISOPJGNQFQAQ-LBPRGKRZSA-N -1 3 285.771 3.034 20 0 CGADHM CCCCCC[C@@H](C)NCc1ncc(C(=O)[O-])s1 ZINC000386866015 972086647 /nfs/dbraw/zinc/08/66/47/972086647.db2.gz VEMXTTCMHAFYEG-SNVBAGLBSA-N -1 3 270.398 3.290 20 0 CGADHM Cc1ccc(CN[C@](C)(C(=O)[O-])c2ccccc2)c(F)c1 ZINC001594361546 958454456 /nfs/dbraw/zinc/45/44/56/958454456.db2.gz VTSWFRZSEWLMHY-KRWDZBQOSA-N -1 3 287.334 3.224 20 0 CGADHM Cc1cccc([C@@H](NCc2cccn2C(F)F)C(=O)[O-])c1 ZINC001594398196 958795832 /nfs/dbraw/zinc/79/58/32/958795832.db2.gz TWTNSCFFBVVUCB-CYBMUJFWSA-N -1 3 294.301 3.107 20 0 CGADHM C[C@H](NCc1ccccc1CC(=O)[O-])c1ccc(F)cc1 ZINC000167617153 959351202 /nfs/dbraw/zinc/35/12/02/959351202.db2.gz HFZVACQJIFWGGK-LBPRGKRZSA-N -1 3 287.334 3.304 20 0 CGADHM CC1(C)CC[C@@H]1N[C@H](C(=O)[O-])c1c(F)cccc1Cl ZINC001593887102 960510329 /nfs/dbraw/zinc/51/03/29/960510329.db2.gz ZLYFFASYVGYDKP-JQWIXIFHSA-N -1 3 285.746 3.383 20 0 CGADHM Cc1ccc(CNCc2ccsc2C(=O)[O-])s1 ZINC000235893946 960528543 /nfs/dbraw/zinc/52/85/43/960528543.db2.gz SEZDEOBJJSPRSL-UHFFFAOYSA-N -1 3 267.375 3.106 20 0 CGADHM C[C@@H]1CCC[C@H](C(=O)[O-])N1Cc1c(F)cccc1Cl ZINC001574266480 960584821 /nfs/dbraw/zinc/58/48/21/960584821.db2.gz MYBJRTFVCZLUMH-NOZJJQNGSA-N -1 3 285.746 3.307 20 0 CGADHM COC(=O)c1cc(NC(=O)c2cc(C)ccc2[O-])ccc1C ZINC001566242136 960913459 /nfs/dbraw/zinc/91/34/59/960913459.db2.gz SWSQLQFBLBKBGC-UHFFFAOYSA-N -1 3 299.326 3.048 20 0 CGADHM CCO[C@@H]1CCCC[C@H]1NC(=O)c1ccc(CC)cc1[O-] ZINC001570323028 961939792 /nfs/dbraw/zinc/93/97/92/961939792.db2.gz BJJQTBHGUYZBCY-GDBMZVCRSA-N -1 3 291.391 3.032 20 0 CGADHM O=C([O-])c1cc(CNC2(c3cccc(F)c3)CCC2)c[nH]1 ZINC001574941952 962331650 /nfs/dbraw/zinc/33/16/50/962331650.db2.gz RRYOMNJVXXABQA-UHFFFAOYSA-N -1 3 288.322 3.021 20 0 CGADHM CCC[C@H](Nc1cc(-c2nnn[n-]2)cc(C)n1)C(C)(C)C ZINC001577325862 962529126 /nfs/dbraw/zinc/52/91/26/962529126.db2.gz KZOOCULGKCNIBX-LBPRGKRZSA-N -1 3 288.399 3.197 20 0 CGADHM CCC[C@H](Nc1cc(-c2nn[n-]n2)cc(C)n1)C(C)(C)C ZINC001577325862 962529131 /nfs/dbraw/zinc/52/91/31/962529131.db2.gz KZOOCULGKCNIBX-LBPRGKRZSA-N -1 3 288.399 3.197 20 0 CGADHM Fc1ccc(-c2nnn[n-]2)c(Nc2ccc3[nH]ccc3c2)c1 ZINC001581853636 962751761 /nfs/dbraw/zinc/75/17/61/962751761.db2.gz PSDMURANFLKUNN-UHFFFAOYSA-N -1 3 294.293 3.231 20 0 CGADHM Fc1ccc(-c2nn[n-]n2)c(Nc2ccc3[nH]ccc3c2)c1 ZINC001581853636 962751776 /nfs/dbraw/zinc/75/17/76/962751776.db2.gz PSDMURANFLKUNN-UHFFFAOYSA-N -1 3 294.293 3.231 20 0 CGADHM CSc1ccc([O-])c(C(=O)N[C@@H](C(C)C)C2CC2)c1 ZINC001585274485 963000584 /nfs/dbraw/zinc/00/05/84/963000584.db2.gz YWQYICQZTDFFQW-AWEZNQCLSA-N -1 3 279.405 3.279 20 0 CGADHM COc1ccc(C(=O)N[C@H]2CCC[C@@H](C(C)C)C2)c([O-])c1 ZINC001585519782 963021779 /nfs/dbraw/zinc/02/17/79/963021779.db2.gz VVQJKPABWVXDTA-OLZOCXBDSA-N -1 3 291.391 3.345 20 0 CGADHM c1cc(-c2nnn[n-]2)cc(SCCC2=CCCCC2)n1 ZINC001588384515 963268959 /nfs/dbraw/zinc/26/89/59/963268959.db2.gz SUKWAVZYCPCARX-UHFFFAOYSA-N -1 3 287.392 3.244 20 0 CGADHM c1cc(-c2nn[n-]n2)cc(SCCC2=CCCCC2)n1 ZINC001588384515 963268967 /nfs/dbraw/zinc/26/89/67/963268967.db2.gz SUKWAVZYCPCARX-UHFFFAOYSA-N -1 3 287.392 3.244 20 0 CGADHM C=C/C=C\CCOc1c(Cl)cc(F)cc1-c1nnn[n-]1 ZINC001588529689 963276692 /nfs/dbraw/zinc/27/66/92/963276692.db2.gz CYLIEQLZTHRAFI-ARJAWSKDSA-N -1 3 294.717 3.170 20 0 CGADHM C=C/C=C\CCOc1c(Cl)cc(F)cc1-c1nn[n-]n1 ZINC001588529689 963276720 /nfs/dbraw/zinc/27/67/20/963276720.db2.gz CYLIEQLZTHRAFI-ARJAWSKDSA-N -1 3 294.717 3.170 20 0 CGADHM CC1(C)CN(CCCCC(=O)[O-])[C@H]1c1cccs1 ZINC001589231441 963354680 /nfs/dbraw/zinc/35/46/80/963354680.db2.gz MSJWTWQGUVSMAW-ZDUSSCGKSA-N -1 3 267.394 3.386 20 0 CGADHM CCSCC[C@@H](C)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC000314798123 963811496 /nfs/dbraw/zinc/81/14/96/963811496.db2.gz MPZRAUGSHWMDNS-BDAKNGLRSA-N -1 3 288.438 3.024 20 0 CGADHM CC(C)CSCc1ccc(-c2nnn[n-]2)cc1Cl ZINC001589653475 964013336 /nfs/dbraw/zinc/01/33/36/964013336.db2.gz QNBVMHYNMJQAJK-UHFFFAOYSA-N -1 3 282.800 3.409 20 0 CGADHM CC(C)CSCc1ccc(-c2nn[n-]n2)cc1Cl ZINC001589653475 964013348 /nfs/dbraw/zinc/01/33/48/964013348.db2.gz QNBVMHYNMJQAJK-UHFFFAOYSA-N -1 3 282.800 3.409 20 0 CGADHM CC(C)c1ocnc1CNC1(CC(=O)[O-])CCCCC1 ZINC001592107937 976889768 /nfs/dbraw/zinc/88/97/68/976889768.db2.gz JZFJZZNGGBBCSZ-UHFFFAOYSA-N -1 3 280.368 3.065 20 0 CGADHM CC[C@](C)(NCc1occc1C(=O)[O-])c1ccccc1 ZINC001594853285 982110097 /nfs/dbraw/zinc/11/00/97/982110097.db2.gz OWWICQPVWIZDAW-INIZCTEOSA-N -1 3 273.332 3.393 20 0 CGADHM CC[C@H](C)[C@@H](C)N1CCc2c(C(=O)[O-])ccc(OC)c2C1 ZINC001594882822 982251113 /nfs/dbraw/zinc/25/11/13/982251113.db2.gz ZMAAUQPWDOXVEE-NWDGAFQWSA-N -1 3 291.391 3.186 20 0 CGADHM CCN(Cc1ccoc1C(=O)[O-])Cc1c[nH]c2ccccc12 ZINC001596377970 983890920 /nfs/dbraw/zinc/89/09/20/983890920.db2.gz GZPZSLMDGBNSDI-UHFFFAOYSA-N -1 3 298.342 3.481 20 0 CGADHM CCOc1ccc(Cl)cc1CN1CCCC[C@@H]1C(=O)[O-] ZINC001597106303 986747500 /nfs/dbraw/zinc/74/75/00/986747500.db2.gz NHJUVJKUCDWACH-CYBMUJFWSA-N -1 3 297.782 3.178 20 0 CGADHM CC(C)(NCC1CCCCCC1)c1cc(C(=O)[O-])on1 ZINC001590871096 990775182 /nfs/dbraw/zinc/77/51/82/990775182.db2.gz XEINDCJAROCMOZ-UHFFFAOYSA-N -1 3 280.368 3.168 20 0 CGADHM CC(C)CC1(CNCc2ncc(C(=O)[O-])s2)CCC1 ZINC001591196969 992014936 /nfs/dbraw/zinc/01/49/36/992014936.db2.gz QWFATWTVAYAFOF-UHFFFAOYSA-N -1 3 282.409 3.147 20 0 CGADHM C[C@H](NC[C@H]1CCCC2(CCC2)O1)c1cc(C(=O)[O-])co1 ZINC001593252806 994509135 /nfs/dbraw/zinc/50/91/35/994509135.db2.gz VJGUFXXTBDLODC-WCQYABFASA-N -1 3 293.363 3.120 20 0 CGADHM C[C@@H](c1ccc(F)cc1F)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001593696872 996152578 /nfs/dbraw/zinc/15/25/78/996152578.db2.gz ANVWRGPSXVVEBB-JBLDHEPKSA-N -1 3 283.318 3.068 20 0 CGADHM C[C@H](c1ncc(C(=O)[O-])s1)N1CCC[C@@H]1C(C)(C)C ZINC001593732447 996312974 /nfs/dbraw/zinc/31/29/74/996312974.db2.gz USLMYTQWFGGOQN-MWLCHTKSSA-N -1 3 282.409 3.413 20 0 CGADHM C[C@H](c1ncc(C(=O)[O-])s1)N(CC1CC1)C1CCC1 ZINC001593732495 996313545 /nfs/dbraw/zinc/31/35/45/996313545.db2.gz VPCUFJUBRQPHTA-SECBINFHSA-N -1 3 280.393 3.167 20 0 CGADHM CC1(C)CC[C@H](CN[C@H](C(=O)[O-])c2ccccc2Cl)O1 ZINC001593878124 996702855 /nfs/dbraw/zinc/70/28/55/996702855.db2.gz LWQUMETWOUAEMK-MFKMUULPSA-N -1 3 297.782 3.013 20 0 CGADHM CC1(C)CC[C@H](CN[C@@H](C(=O)[O-])c2ccccc2Cl)O1 ZINC001593878125 996703091 /nfs/dbraw/zinc/70/30/91/996703091.db2.gz LWQUMETWOUAEMK-ZWNOBZJWSA-N -1 3 297.782 3.013 20 0 CGADHM CC(C)c1[nH]c(CN2CCC(C)CC2)cc1C(=O)[O-] ZINC001594423138 999578332 /nfs/dbraw/zinc/57/83/32/999578332.db2.gz MJHWMRSKFMGSOA-UHFFFAOYSA-N -1 3 264.369 3.068 20 0 CGADHM CC(C)(C)c1ccc(NC(=O)c2ccc(=O)[nH]c2)c([O-])c1 ZINC000337434385 214080317 /nfs/dbraw/zinc/08/03/17/214080317.db2.gz WOGYYFTZNYWQPX-UHFFFAOYSA-N -1 3 286.331 3.043 20 0 CGADHM [O-]c1cccc(CN2CC(CC3CC3)C2)c1Br ZINC000621740398 349577689 /nfs/dbraw/zinc/57/76/89/349577689.db2.gz OHLRXBYYTNROAG-UHFFFAOYSA-N -1 3 296.208 3.387 20 0 CGADHM CCN1CCc2ccc(NC(=O)c3ccc(C)cc3[O-])cc21 ZINC000590258501 346838937 /nfs/dbraw/zinc/83/89/37/346838937.db2.gz WXFYGGIJXVHHAP-UHFFFAOYSA-N -1 3 296.370 3.335 20 0 CGADHM O=C(N[C@@H]1CC=CCC1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621875532 349600057 /nfs/dbraw/zinc/60/00/57/349600057.db2.gz WVQSZWCUUZUUQK-LLVKDONJSA-N -1 3 285.265 3.250 20 0 CGADHM CC(C)CC[C@@H]1CCCCN1C(=O)c1cc(F)c[n-]c1=O ZINC000621914016 349607095 /nfs/dbraw/zinc/60/70/95/349607095.db2.gz JAHNMMIWWHMJOG-ZDUSSCGKSA-N -1 3 294.370 3.357 20 0 CGADHM CC(C)C1CN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000621929951 349608989 /nfs/dbraw/zinc/60/89/89/349608989.db2.gz DBYUQFYLCVTLKX-UHFFFAOYSA-N -1 3 287.281 3.139 20 0 CGADHM CC[C@@H](C)N(C)C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621904114 349605156 /nfs/dbraw/zinc/60/51/56/349605156.db2.gz BXWLYJHPROYECU-MRVPVSSYSA-N -1 3 275.270 3.282 20 0 CGADHM CCCC1CCC(N(C)C(=O)c2cc(F)c[n-]c2=O)CC1 ZINC000621972149 349615622 /nfs/dbraw/zinc/61/56/22/349615622.db2.gz SMQXHYGFOICNKY-UHFFFAOYSA-N -1 3 294.370 3.357 20 0 CGADHM C[C@@H]1C[C@@H](C(C)(C)C)CCN1C(=O)c1cc(F)c[n-]c1=O ZINC000622054904 349623793 /nfs/dbraw/zinc/62/37/93/349623793.db2.gz TWKFHQOSWLLEJV-MNOVXSKESA-N -1 3 294.370 3.213 20 0 CGADHM Cc1cccc([C@@H]2CCN(C(=O)c3cccc([O-])c3)C2)c1 ZINC000273110894 192046692 /nfs/dbraw/zinc/04/66/92/192046692.db2.gz BAHGLHJNSZDDBS-MRXNPFEDSA-N -1 3 281.355 3.330 20 0 CGADHM [O-]c1cccc(CNC2CC3(CCC3)C2)c1Cl ZINC000652042071 398319962 /nfs/dbraw/zinc/31/99/62/398319962.db2.gz BYXRSXHHISGMFX-UHFFFAOYSA-N -1 3 251.757 3.468 20 0 CGADHM O=C(NCC[C@H]1CC1(F)F)c1cc2c(cc1[O-])CCCC2 ZINC000622202054 349649355 /nfs/dbraw/zinc/64/93/55/349649355.db2.gz XJTNKIGYZNZKMU-LBPRGKRZSA-N -1 3 295.329 3.046 20 0 CGADHM CC[C@@H](C)n1ncc(NC(=O)c2cccc(C)c2[O-])c1C ZINC000436594712 529443433 /nfs/dbraw/zinc/44/34/33/529443433.db2.gz JRLBVCABCSKHBI-LLVKDONJSA-N -1 3 287.363 3.429 20 0 CGADHM CC[C@@H](C)n1nc(C(=O)Nc2ccccc2[O-])cc1C ZINC000436890690 529438968 /nfs/dbraw/zinc/43/89/68/529438968.db2.gz DCRQJZJJFXCSIL-SNVBAGLBSA-N -1 3 273.336 3.120 20 0 CGADHM CC[C@@H](CC1CCCC1)C(=O)Nc1nnc(SC)[n-]1 ZINC000358845696 529462363 /nfs/dbraw/zinc/46/23/63/529462363.db2.gz GIRMOJZGVQQRQD-JTQLQIEISA-N -1 3 282.413 3.072 20 0 CGADHM CC[C@@H](CC1CCCC1)C(=O)Nc1nc(SC)n[n-]1 ZINC000358845696 529462365 /nfs/dbraw/zinc/46/23/65/529462365.db2.gz GIRMOJZGVQQRQD-JTQLQIEISA-N -1 3 282.413 3.072 20 0 CGADHM CC[C@@H](CC1CCCC1)C(=O)Nc1n[n-]c(SC)n1 ZINC000358845696 529462368 /nfs/dbraw/zinc/46/23/68/529462368.db2.gz GIRMOJZGVQQRQD-JTQLQIEISA-N -1 3 282.413 3.072 20 0 CGADHM CCN=c1[n-]c(C(=O)Nc2ccc(Cl)cc2C)cs1 ZINC000622286541 349667822 /nfs/dbraw/zinc/66/78/22/349667822.db2.gz GLPAVBMIEUMQHF-UHFFFAOYSA-N -1 3 295.795 3.211 20 0 CGADHM COc1ccc([C@@H](C)N(C)Cc2nc(C)ccc2[O-])cc1 ZINC000125803302 187200935 /nfs/dbraw/zinc/20/09/35/187200935.db2.gz DNCMNYOUDMGXIR-CYBMUJFWSA-N -1 3 286.375 3.297 20 0 CGADHM CCOC1(CNC(=O)c2cccc(CC)c2[O-])CCCC1 ZINC000622619760 349689706 /nfs/dbraw/zinc/68/97/06/349689706.db2.gz VUONJBPGBPDIIQ-UHFFFAOYSA-N -1 3 291.391 3.034 20 0 CGADHM CCc1cc(C(=O)NCC(C)(C)c2cccnc2)ccc1[O-] ZINC000414012579 529516088 /nfs/dbraw/zinc/51/60/88/529516088.db2.gz HHWINAMJHSHMBC-UHFFFAOYSA-N -1 3 298.386 3.057 20 0 CGADHM CCc1ccc(C(=O)N2CCc3c(F)cccc3C2)c([O-])c1 ZINC000436833307 529600805 /nfs/dbraw/zinc/60/08/05/529600805.db2.gz VOGYIHMOGJOWSR-UHFFFAOYSA-N -1 3 299.345 3.292 20 0 CGADHM CCc1cccnc1-c1noc(-c2ccc(C)cc2[O-])n1 ZINC000157799184 529617994 /nfs/dbraw/zinc/61/79/94/529617994.db2.gz JOBJSMYGEXMICA-UHFFFAOYSA-N -1 3 281.315 3.375 20 0 CGADHM CCc1ccc([O-])c(C(=O)N[C@@H](CC)C(F)(F)F)c1 ZINC000436829551 529691834 /nfs/dbraw/zinc/69/18/34/529691834.db2.gz OZCWZRWEGQYDRU-NSHDSACASA-N -1 3 275.270 3.025 20 0 CGADHM CCc1ccc([C@@H](NCc2cccc(C)c2)C(=O)[O-])cc1 ZINC000426823001 529711992 /nfs/dbraw/zinc/71/19/92/529711992.db2.gz HJTTWWXDLPXUCX-QGZVFWFLSA-N -1 3 283.371 3.473 20 0 CGADHM CCc1ccc([C@H](NCc2cccc(OC)c2)C(=O)[O-])cc1 ZINC000426811910 529726414 /nfs/dbraw/zinc/72/64/14/529726414.db2.gz OPIFGPYJFWQXHG-KRWDZBQOSA-N -1 3 299.370 3.173 20 0 CGADHM [O-]c1cccnc1CNCc1csc(C(F)(F)F)c1 ZINC000623510949 349824190 /nfs/dbraw/zinc/82/41/90/349824190.db2.gz SNVLZBUZVBWKOH-UHFFFAOYSA-N -1 3 288.294 3.157 20 0 CGADHM Cc1ccc(F)c(S(=O)(=O)[N-][C@H](C)c2cccs2)c1 ZINC000032405663 344932067 /nfs/dbraw/zinc/93/20/67/344932067.db2.gz FQQRNDWOBRIVCO-SNVBAGLBSA-N -1 3 299.392 3.235 20 0 CGADHM O=C([O-])[C@H]1CC12CCN(Cc1cccc(Cl)c1)CC2 ZINC000049876338 345075728 /nfs/dbraw/zinc/07/57/28/345075728.db2.gz SNEJNLFRRVEJOP-CYBMUJFWSA-N -1 3 279.767 3.027 20 0 CGADHM CC(C)COc1cccc(C(=O)Nc2ncccc2[O-])c1 ZINC000057814612 345188397 /nfs/dbraw/zinc/18/83/97/345188397.db2.gz WYKHRIWEUYLIJO-UHFFFAOYSA-N -1 3 286.331 3.074 20 0 CGADHM CCCOCc1nc(=O)c2c(C(C)C)csc2[n-]1 ZINC000069980490 345387579 /nfs/dbraw/zinc/38/75/79/345387579.db2.gz PEEOYORMVATHQK-UHFFFAOYSA-N -1 3 266.366 3.035 20 0 CGADHM O=C(Cc1ccccc1F)Nc1cc(Cl)ccc1[O-] ZINC000069693531 345384238 /nfs/dbraw/zinc/38/42/38/345384238.db2.gz OECAMLLQQNMSGY-UHFFFAOYSA-N -1 3 279.698 3.366 20 0 CGADHM C[C@@H]1CN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)C[C@H]1C ZINC000072870338 345419934 /nfs/dbraw/zinc/41/99/34/345419934.db2.gz QTWGXUAVWIPPAS-GHMZBOCLSA-N -1 3 297.358 3.169 20 0 CGADHM CO[N-]C(=O)[C@@H]1CCCC[C@@H]1c1nc2ccccc2s1 ZINC000073084503 345430322 /nfs/dbraw/zinc/43/03/22/345430322.db2.gz GAACLOAOXJHZJR-MNOVXSKESA-N -1 3 290.388 3.248 20 0 CGADHM Cc1ccc(CN(CC(=O)[O-])Cc2ccc(F)cc2)cc1 ZINC000076801518 345551142 /nfs/dbraw/zinc/55/11/42/345551142.db2.gz MEBULECBELKXGP-UHFFFAOYSA-N -1 3 287.334 3.221 20 0 CGADHM CC(C)C[C@H](C)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000087615886 345755937 /nfs/dbraw/zinc/75/59/37/345755937.db2.gz NGNMAQQUKCXDFM-SWLSCSKDSA-N -1 3 261.365 3.105 20 0 CGADHM Cc1cc(CN2CCC[C@@H]3CCC[C@@H]32)oc1C(=O)[O-] ZINC000087777776 345756616 /nfs/dbraw/zinc/75/66/16/345756616.db2.gz WDWIFNSITMXNPG-AAEUAGOBSA-N -1 3 263.337 3.051 20 0 CGADHM O=C([N-]c1nc(-c2ccccc2F)cs1)c1cocn1 ZINC000104861106 345925545 /nfs/dbraw/zinc/92/55/45/345925545.db2.gz KSDHBEVEDZCILP-UHFFFAOYSA-N -1 3 289.291 3.190 20 0 CGADHM CC(C)n1cc([N-]c2nc3cc(F)ccc3o2)cn1 ZINC000114449248 345964514 /nfs/dbraw/zinc/96/45/14/345964514.db2.gz SKYAPEFRFGATLC-UHFFFAOYSA-N -1 3 260.272 3.488 20 0 CGADHM CCCCN(Cc1ccsc1C(=O)[O-])C1CC1 ZINC000110955968 345947452 /nfs/dbraw/zinc/94/74/52/345947452.db2.gz XPSDKBGADZERES-UHFFFAOYSA-N -1 3 253.367 3.211 20 0 CGADHM O=C(Nc1cccc([O-])c1F)c1ccc(Cl)o1 ZINC000129691794 346050977 /nfs/dbraw/zinc/05/09/77/346050977.db2.gz JOFYZUVREZBQIL-UHFFFAOYSA-N -1 3 255.632 3.030 20 0 CGADHM O=C(C[C@H]1CCc2ccccc21)NCc1ccc([O-])c(F)c1 ZINC000132798985 346073785 /nfs/dbraw/zinc/07/37/85/346073785.db2.gz GYJHACCPDQYUDX-CQSZACIVSA-N -1 3 299.345 3.268 20 0 CGADHM Cc1[nH]ccc1C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000134109627 346080150 /nfs/dbraw/zinc/08/01/50/346080150.db2.gz XUYNEGBKVAGICO-UHFFFAOYSA-N -1 3 284.237 3.300 20 0 CGADHM O=C(CSCc1ccc(F)cc1)Nc1ccccc1[O-] ZINC000139673652 346100918 /nfs/dbraw/zinc/10/09/18/346100918.db2.gz URNWXZCNEIBKFN-UHFFFAOYSA-N -1 3 291.347 3.403 20 0 CGADHM CCc1ccc([C@H](NCc2ccc(F)cc2)C(=O)[O-])cc1 ZINC000211618974 346286357 /nfs/dbraw/zinc/28/63/57/346286357.db2.gz MLHHFQUFTPIWEN-INIZCTEOSA-N -1 3 287.334 3.304 20 0 CGADHM COc1ccc(Cl)cc1CN1CC[C@@H](C)C[C@@H]1C(=O)[O-] ZINC000229296400 346316971 /nfs/dbraw/zinc/31/69/71/346316971.db2.gz MABGWGZKCCCPQB-ZWNOBZJWSA-N -1 3 297.782 3.034 20 0 CGADHM C[C@H]1CC[C@H](C)N(Cc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000235628736 346335874 /nfs/dbraw/zinc/33/58/74/346335874.db2.gz KXPMBVMCGTTZNK-QWRGUYRKSA-N -1 3 265.328 3.144 20 0 CGADHM C[C@@H]1CC[C@H](NC(=O)NCc2ccc([O-])c(F)c2)[C@@H](C)C1 ZINC000247390965 346370154 /nfs/dbraw/zinc/37/01/54/346370154.db2.gz QDSWAGCZGDHZMI-SUNKGSAMSA-N -1 3 294.370 3.155 20 0 CGADHM C[C@H](NC(=O)c1ccc(O)cc1[O-])[C@@H]1CC2CCC1CC2 ZINC000381487268 346558548 /nfs/dbraw/zinc/55/85/48/346558548.db2.gz GOBOQPFWIRNGLV-QZLRTXKQSA-N -1 3 289.375 3.042 20 0 CGADHM [O-]c1ccc(-c2noc([C@@H]3CC[C@@H]4C[C@@H]4C3)n2)cc1 ZINC000403795821 346597720 /nfs/dbraw/zinc/59/77/20/346597720.db2.gz CYQZZTZOVOWVMY-IJLUTSLNSA-N -1 3 256.305 3.346 20 0 CGADHM Cc1ccc(NC(=O)c2cc(C(F)(F)F)n[n-]2)c(C)c1 ZINC000339238839 215034619 /nfs/dbraw/zinc/03/46/19/215034619.db2.gz WZCZQWBTBQUWPV-UHFFFAOYSA-N -1 3 283.253 3.298 20 0 CGADHM Cc1ccc(NC(=O)c2cc(C(F)(F)F)[n-]n2)c(C)c1 ZINC000339238839 215034622 /nfs/dbraw/zinc/03/46/22/215034622.db2.gz WZCZQWBTBQUWPV-UHFFFAOYSA-N -1 3 283.253 3.298 20 0 CGADHM O=C(Nc1nnc(-c2cc3ccccc3o2)[n-]1)C1CCCC1 ZINC000583540514 346680518 /nfs/dbraw/zinc/68/05/18/346680518.db2.gz DAGLQHPIIJOEJZ-UHFFFAOYSA-N -1 3 296.330 3.347 20 0 CGADHM O=C(Nc1nc(-c2cc3ccccc3o2)n[n-]1)C1CCCC1 ZINC000583540514 346680520 /nfs/dbraw/zinc/68/05/20/346680520.db2.gz DAGLQHPIIJOEJZ-UHFFFAOYSA-N -1 3 296.330 3.347 20 0 CGADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)C1CCCC1 ZINC000583540514 346680525 /nfs/dbraw/zinc/68/05/25/346680525.db2.gz DAGLQHPIIJOEJZ-UHFFFAOYSA-N -1 3 296.330 3.347 20 0 CGADHM C[C@H](CC(=O)OC(C)(C)C)NCc1cccc([O-])c1Cl ZINC000339248942 215040314 /nfs/dbraw/zinc/04/03/14/215040314.db2.gz USZDMWHFWSFLES-SNVBAGLBSA-N -1 3 299.798 3.256 20 0 CGADHM Cc1c(C(=O)Nc2nc(C)ccc2[O-])ccn1C(C)C ZINC000351773494 219202497 /nfs/dbraw/zinc/20/24/97/219202497.db2.gz GLTZRCGKYYKPRU-UHFFFAOYSA-N -1 3 273.336 3.039 20 0 CGADHM Cc1cc(C(=O)N[C@@H]2CC[C@@H](C)[C@H](C)C2)ccc1[O-] ZINC000300418991 232623408 /nfs/dbraw/zinc/62/34/08/232623408.db2.gz KGWOASUTKVGUSN-JTNHKYCSSA-N -1 3 261.365 3.255 20 0 CGADHM CN(CCC(=O)OC(C)(C)C)Cc1cc([O-])ccc1Cl ZINC000599312303 347734604 /nfs/dbraw/zinc/73/46/04/347734604.db2.gz PHWMRHGMBWLAQR-UHFFFAOYSA-N -1 3 299.798 3.209 20 0 CGADHM Cc1ccc(F)c(S(=O)(=O)[N-]CCCC(C)(C)C)c1 ZINC000606910577 348207266 /nfs/dbraw/zinc/20/72/66/348207266.db2.gz QAHXJVKBECSCDM-UHFFFAOYSA-N -1 3 287.400 3.239 20 0 CGADHM Cc1ccc([O-])c(C(=O)N[C@@H]2C[C@]2(C)c2ccccc2)c1 ZINC000607590198 348249775 /nfs/dbraw/zinc/24/97/75/348249775.db2.gz DPRVNCMXAZHIIJ-SJLPKXTDSA-N -1 3 281.355 3.161 20 0 CGADHM Cc1cccc(C(=O)N[C@H]2C[C@]2(C)c2ccccc2)c1[O-] ZINC000607591093 348250292 /nfs/dbraw/zinc/25/02/92/348250292.db2.gz CNTHJHWTEWOUIQ-MAUKXSAKSA-N -1 3 281.355 3.161 20 0 CGADHM C[C@H](CC(=O)Nc1cc(Cl)ccc1[O-])[C@H]1CCCO1 ZINC000612754320 348544002 /nfs/dbraw/zinc/54/40/02/348544002.db2.gz IKSVTLUVHMIEQR-NOZJJQNGSA-N -1 3 283.755 3.189 20 0 CGADHM CSc1ccc([O-])c(C(=O)N2CC[C@H](C(C)C)C2)c1 ZINC000612187555 348500564 /nfs/dbraw/zinc/50/05/64/348500564.db2.gz QOIHOPNNQJNSIS-NSHDSACASA-N -1 3 279.405 3.232 20 0 CGADHM O=C(CC(F)(F)F)[N-][C@H](c1ccccc1)C(F)(F)F ZINC000612430488 348519459 /nfs/dbraw/zinc/51/94/59/348519459.db2.gz HLGBRIJIXFOSCR-SECBINFHSA-N -1 3 285.187 3.359 20 0 CGADHM O=C(NCc1ccc([O-])c(F)c1)C1CCC2(CC2)CC1 ZINC000612632626 348536274 /nfs/dbraw/zinc/53/62/74/348536274.db2.gz QUJJCZVRYHXMEI-UHFFFAOYSA-N -1 3 277.339 3.118 20 0 CGADHM O=C(NCc1ccc([O-])c(F)c1)C1CCC(C2CC2)CC1 ZINC000612631678 348536572 /nfs/dbraw/zinc/53/65/72/348536572.db2.gz GUPNEIMQPKPEAR-UHFFFAOYSA-N -1 3 291.366 3.364 20 0 CGADHM CCC[C@@H]1CCCCN1C(=O)c1ccc2[nH][n-]c(=O)c2c1 ZINC000613486306 348609481 /nfs/dbraw/zinc/60/94/81/348609481.db2.gz DKTMDXKYDGXAOP-GFCCVEGCSA-N -1 3 287.363 3.063 20 0 CGADHM C[C@@H]1CCC[C@@H]1CC(=O)NCc1ccc([O-])c2ncccc12 ZINC000616023503 348782457 /nfs/dbraw/zinc/78/24/57/348782457.db2.gz SWONFKIJJMDDDO-CHWSQXEVSA-N -1 3 298.386 3.383 20 0 CGADHM C[C@H]1CCC[C@H]1CC(=O)NCc1ccc([O-])c2ncccc12 ZINC000616023506 348782552 /nfs/dbraw/zinc/78/25/52/348782552.db2.gz SWONFKIJJMDDDO-STQMWFEESA-N -1 3 298.386 3.383 20 0 CGADHM CCC(CC)CC(=O)NCc1ccc([O-])c2ncccc12 ZINC000616024936 348782579 /nfs/dbraw/zinc/78/25/79/348782579.db2.gz IDDYGVYKXDUYIG-UHFFFAOYSA-N -1 3 286.375 3.383 20 0 CGADHM O=C(Nc1ccc([O-])cc1Cl)[C@@H]1C[C@H]1C(F)(F)F ZINC000616940044 348885177 /nfs/dbraw/zinc/88/51/77/348885177.db2.gz SOLCYGCEFVEDPB-RNFRBKRXSA-N -1 3 279.645 3.183 20 0 CGADHM CO[C@@H]1CCCC[C@H]1C(=O)Nc1ccc([O-])cc1Cl ZINC000616940267 348885212 /nfs/dbraw/zinc/88/52/12/348885212.db2.gz VSJKDOVPFPWRKL-ZWNOBZJWSA-N -1 3 283.755 3.189 20 0 CGADHM CC(C)(C)n1ccc(C(=O)Nc2ccc([O-])cc2Cl)n1 ZINC000616942775 348885489 /nfs/dbraw/zinc/88/54/89/348885489.db2.gz CJFZQJOVVNKSPW-UHFFFAOYSA-N -1 3 293.754 3.249 20 0 CGADHM CC[C@H](C)N(CC)C(=O)c1cc(SC)ccc1[O-] ZINC000616976453 348887665 /nfs/dbraw/zinc/88/76/65/348887665.db2.gz QOLIKQMBVCQDOE-JTQLQIEISA-N -1 3 267.394 3.375 20 0 CGADHM Cc1cc(C(=O)N(CC2CC2)C2CCC2)ccc1[O-] ZINC000358420854 233129688 /nfs/dbraw/zinc/12/96/88/233129688.db2.gz DEHRYUQEKLBDRG-UHFFFAOYSA-N -1 3 259.349 3.105 20 0 CGADHM O=C(c1ccccc1[O-])N1CCC(C2CCC2)CC1 ZINC000617774139 349006675 /nfs/dbraw/zinc/00/66/75/349006675.db2.gz PRRSPNKCWBOQBV-UHFFFAOYSA-N -1 3 259.349 3.045 20 0 CGADHM O=[S@@](c1cccc([O-])c1)[C@@H]1CCc2ccccc21 ZINC000618631644 349130450 /nfs/dbraw/zinc/13/04/50/349130450.db2.gz URNFOTLDPTXUNX-QAPCUYQASA-N -1 3 258.342 3.187 20 0 CGADHM O=[S@](c1cccc([O-])c1)[C@H]1CCc2ccccc21 ZINC000618631643 349130818 /nfs/dbraw/zinc/13/08/18/349130818.db2.gz URNFOTLDPTXUNX-MAUKXSAKSA-N -1 3 258.342 3.187 20 0 CGADHM C[C@]1(CCNC(=O)c2cc([O-])ccc2Cl)CC1(F)F ZINC000618635132 349131935 /nfs/dbraw/zinc/13/19/35/349131935.db2.gz ITOCGEFRDDJVEX-LBPRGKRZSA-N -1 3 289.709 3.211 20 0 CGADHM Cc1cc(NC(=O)c2ccc3n[n-]nc3c2)ccc1C1CC1 ZINC000358890460 233210846 /nfs/dbraw/zinc/21/08/46/233210846.db2.gz XBFUYWGJVYSSMC-UHFFFAOYSA-N -1 3 292.342 3.396 20 0 CGADHM Cc1cccc([O-])c1C(=O)Nc1cccnc1OC(C)C ZINC000624234326 350008630 /nfs/dbraw/zinc/00/86/30/350008630.db2.gz MQBQNKWTWGOGQD-UHFFFAOYSA-N -1 3 286.331 3.135 20 0 CGADHM O=C(Nc1ncc(-c2ccccn2)s1)c1cccc([O-])c1 ZINC000359400639 233312551 /nfs/dbraw/zinc/31/25/51/233312551.db2.gz CZSJJLUIEBOPBR-UHFFFAOYSA-N -1 3 297.339 3.163 20 0 CGADHM O=C([O-])CCCN1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC000625660685 350193967 /nfs/dbraw/zinc/19/39/67/350193967.db2.gz ZWZBJFZQSXJODP-LBPRGKRZSA-N -1 3 283.318 3.009 20 0 CGADHM CCC[C@H]1SCCN1C(=O)c1ccc(C)cc1[O-] ZINC000271337515 191083114 /nfs/dbraw/zinc/08/31/14/191083114.db2.gz WGGPZJBUSMDLIH-CYBMUJFWSA-N -1 3 265.378 3.016 20 0 CGADHM Cc1ccc(-c2nnc(NC(=O)[C@H]3CCC(C)(C)C3)[n-]2)o1 ZINC000359643839 233351248 /nfs/dbraw/zinc/35/12/48/233351248.db2.gz MDEPHDJLOJSDOI-JTQLQIEISA-N -1 3 288.351 3.138 20 0 CGADHM Cc1ccc(-c2n[n-]c(NC(=O)[C@H]3CCC(C)(C)C3)n2)o1 ZINC000359643839 233351251 /nfs/dbraw/zinc/35/12/51/233351251.db2.gz MDEPHDJLOJSDOI-JTQLQIEISA-N -1 3 288.351 3.138 20 0 CGADHM Cc1ccc(-c2nc(NC(=O)[C@H]3CCC(C)(C)C3)n[n-]2)o1 ZINC000359643839 233351253 /nfs/dbraw/zinc/35/12/53/233351253.db2.gz MDEPHDJLOJSDOI-JTQLQIEISA-N -1 3 288.351 3.138 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000626726891 350334901 /nfs/dbraw/zinc/33/49/01/350334901.db2.gz LZVIYOHIXYLPTR-VHSXEESVSA-N -1 3 287.281 3.114 20 0 CGADHM Cc1ccc2c(c1)CN(C(=O)c1c(C)cccc1[O-])CCO2 ZINC000627163837 350353916 /nfs/dbraw/zinc/35/39/16/350353916.db2.gz VGTDLBWXASQSKM-UHFFFAOYSA-N -1 3 297.354 3.044 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CC(C)(C)[C@@H]1C(C)C ZINC000627515063 350362703 /nfs/dbraw/zinc/36/27/03/350362703.db2.gz YSMPLKXUTCEIIR-AWEZNQCLSA-N -1 3 261.365 3.207 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2cc(C3CC3)[nH]c2C2CC2)n1 ZINC000626704244 350334101 /nfs/dbraw/zinc/33/41/01/350334101.db2.gz LRVXJURJABXXPD-UHFFFAOYSA-N -1 3 297.358 3.431 20 0 CGADHM [O-]c1cccc(Cn2cnc3c2CCCC3)c1Cl ZINC000628371766 350517855 /nfs/dbraw/zinc/51/78/55/350517855.db2.gz DKMFVCRZJFSXEI-UHFFFAOYSA-N -1 3 262.740 3.169 20 0 CGADHM CCc1cccc(C(=O)N2CCCC(F)(F)CC2)c1[O-] ZINC000628634561 350580795 /nfs/dbraw/zinc/58/07/95/350580795.db2.gz VBQZJFOIJZPFBT-UHFFFAOYSA-N -1 3 283.318 3.216 20 0 CGADHM CCCCC[C@@H]1CCCCN1Cc1cnc(C(=O)[O-])cn1 ZINC000629363265 350677989 /nfs/dbraw/zinc/67/79/89/350677989.db2.gz HCGGWDLXAJAORW-CQSZACIVSA-N -1 3 291.395 3.110 20 0 CGADHM C[C@H]1CN(Cc2ccccc2C(=O)[O-])C[C@H](C)C1(F)F ZINC000629363609 350678248 /nfs/dbraw/zinc/67/82/48/350678248.db2.gz GIPLPZJXZYBRQN-QWRGUYRKSA-N -1 3 283.318 3.108 20 0 CGADHM O=C([O-])[C@@H]1CCN(Cc2ccccc2Cl)[C@H]2CCC[C@@H]21 ZINC000629374571 350682159 /nfs/dbraw/zinc/68/21/59/350682159.db2.gz XFKATRKJVWDHNW-NFAWXSAZSA-N -1 3 293.794 3.415 20 0 CGADHM C/C=C\C[C@@H]1CCCN(C(=O)c2cccc([O-])c2)C1 ZINC000629879776 350784557 /nfs/dbraw/zinc/78/45/57/350784557.db2.gz RNXCCECZJGKAFI-XQJDBVBESA-N -1 3 259.349 3.211 20 0 CGADHM Cc1sc2[n-]c([C@@H]3CC[C@@H](C)O3)nc(=O)c2c1C ZINC000630385784 350831078 /nfs/dbraw/zinc/83/10/78/350831078.db2.gz SJHOHPDWYADEGT-MUWHJKNJSA-N -1 3 264.350 3.254 20 0 CGADHM O=C([O-])C[C@@H](CNCc1cc(F)ccc1F)C1CCCC1 ZINC000630470282 350845264 /nfs/dbraw/zinc/84/52/64/350845264.db2.gz HVWXWXBYKPOMBE-LBPRGKRZSA-N -1 3 297.345 3.336 20 0 CGADHM O=C([O-])[C@@H]1CCC[C@@H]1NCc1cc(Cl)sc1Cl ZINC000630478344 350846868 /nfs/dbraw/zinc/84/68/68/350846868.db2.gz SCPGADAMZXMMND-SFYZADRCSA-N -1 3 294.203 3.398 20 0 CGADHM CCc1cc(C(=O)N[C@@H](C)c2cnc(C)s2)ccc1[O-] ZINC000634042261 351424472 /nfs/dbraw/zinc/42/44/72/351424472.db2.gz ZHTOCHFTUBNKBU-VIFPVBQESA-N -1 3 290.388 3.211 20 0 CGADHM CC(C)c1c(-c2ccccc2)[n-]n([C@H]2CCSC2)c1=O ZINC000634628434 351551799 /nfs/dbraw/zinc/55/17/99/351551799.db2.gz XMKMZAGTBHBKKJ-KBPBESRZSA-N -1 3 288.416 3.011 20 0 CGADHM O=C(CCCc1ccc(F)c(F)c1)[N-]OC/C=C/Cl ZINC000291440420 198023046 /nfs/dbraw/zinc/02/30/46/198023046.db2.gz AYVXSTUAAXAUHP-FARCUNLSSA-N -1 3 289.709 3.088 20 0 CGADHM CC(C)c1c(-c2ccccc2)[n-]n([C@H]2CCSC2)c1=O ZINC000634628436 351552059 /nfs/dbraw/zinc/55/20/59/351552059.db2.gz XMKMZAGTBHBKKJ-UONOGXRCSA-N -1 3 288.416 3.011 20 0 CGADHM Cc1nc(COc2cc3occ([O-])c3c(C)c2)sc1C ZINC000634561236 351515717 /nfs/dbraw/zinc/51/57/17/351515717.db2.gz RUNSKQKNMCOMAY-UHFFFAOYSA-N -1 3 289.356 3.222 20 0 CGADHM CC(C)c1cc([N-]C(=O)C2(Nc3ccccc3)CC2)on1 ZINC000636303564 351735502 /nfs/dbraw/zinc/73/55/02/351735502.db2.gz AKPHHDKSAVARRG-UHFFFAOYSA-N -1 3 285.347 3.381 20 0 CGADHM Cc1ccc(NC(=O)[C@@](C)(O)[C@H](C)c2ccccc2)c([O-])c1 ZINC000122532614 187036959 /nfs/dbraw/zinc/03/69/59/187036959.db2.gz HBRRQZHXRITUHD-ACJLOTCBSA-N -1 3 299.370 3.194 20 0 CGADHM C[C@H](CC(=O)[N-]OC/C=C/Cl)c1ccccc1F ZINC000291905398 198101845 /nfs/dbraw/zinc/10/18/45/198101845.db2.gz SJHZPSWFQWVDNJ-LJJSCBMDSA-N -1 3 271.719 3.120 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2ccccc2Cl)n1 ZINC000336479512 213351288 /nfs/dbraw/zinc/35/12/88/213351288.db2.gz NOOCWGPFHVFWJF-UHFFFAOYSA-N -1 3 262.696 3.001 20 0 CGADHM CC[C@H]1CC[C@H](C)N1Cc1nc(=O)c2sccc2[n-]1 ZINC000271639497 191252724 /nfs/dbraw/zinc/25/27/24/191252724.db2.gz ZXFFVIXHKOUORB-UWVGGRQHSA-N -1 3 277.393 3.160 20 0 CGADHM CC[C@@H](SC)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000153370758 188079405 /nfs/dbraw/zinc/07/94/05/188079405.db2.gz GKHIZCMWERWSMM-SNVBAGLBSA-N -1 3 259.758 3.126 20 0 CGADHM CC(=O)[C@@H](C)CCCCC(=O)Nc1ccccc1[O-] ZINC000153804248 188104947 /nfs/dbraw/zinc/10/49/47/188104947.db2.gz DLTHHORQXBMERQ-NSHDSACASA-N -1 3 263.337 3.116 20 0 CGADHM [O-]C(=NO[C@H]1CCCCO1)Nc1ccc(Cl)cc1F ZINC000155481561 188209574 /nfs/dbraw/zinc/20/95/74/188209574.db2.gz RTLIVXBPSHWQQD-NSHDSACASA-N -1 3 288.706 3.059 20 0 CGADHM O=C([N-]O[C@H]1CCCCO1)Nc1ccc(Cl)cc1F ZINC000155481561 188209575 /nfs/dbraw/zinc/20/95/75/188209575.db2.gz RTLIVXBPSHWQQD-NSHDSACASA-N -1 3 288.706 3.059 20 0 CGADHM CCCc1ccccc1NC(=O)c1ccc(C(=O)OC)[n-]1 ZINC000292613198 198350981 /nfs/dbraw/zinc/35/09/81/198350981.db2.gz IETVYZZPHNKTRG-UHFFFAOYSA-N -1 3 286.331 3.006 20 0 CGADHM [O-]c1ccc(-c2noc([C@@H]3CCCCS3)n2)cc1 ZINC000157721338 188334331 /nfs/dbraw/zinc/33/43/31/188334331.db2.gz VGRMZNBFRPBEHJ-NSHDSACASA-N -1 3 262.334 3.400 20 0 CGADHM CCCOc1ccccc1NC([O-])=NOCC(C)C ZINC000158427466 188375448 /nfs/dbraw/zinc/37/54/48/188375448.db2.gz YJQONRKNKGKAAF-UHFFFAOYSA-N -1 3 266.341 3.185 20 0 CGADHM CCCOc1ccccc1NC(=O)[N-]OCC(C)C ZINC000158427466 188375449 /nfs/dbraw/zinc/37/54/49/188375449.db2.gz YJQONRKNKGKAAF-UHFFFAOYSA-N -1 3 266.341 3.185 20 0 CGADHM Cc1ccccc1[C@H](C)CC(=O)[N-]OCCC(F)(F)F ZINC000162698933 188584982 /nfs/dbraw/zinc/58/49/82/188584982.db2.gz CPOVRQPHEMBBJA-LLVKDONJSA-N -1 3 289.297 3.489 20 0 CGADHM C[C@@H](CC(=O)[N-]OC1CCCC1)c1cccc(F)c1 ZINC000271742457 191301877 /nfs/dbraw/zinc/30/18/77/191301877.db2.gz IVCHRQYMQOCIBJ-NSHDSACASA-N -1 3 265.328 3.310 20 0 CGADHM CCCOc1ccc(NC([O-])=NOC2CCCC2)cc1 ZINC000271798124 191334655 /nfs/dbraw/zinc/33/46/55/191334655.db2.gz JNBJJEJVRILBNK-UHFFFAOYSA-N -1 3 278.352 3.471 20 0 CGADHM CCCOc1ccc(NC(=O)[N-]OC2CCCC2)cc1 ZINC000271798124 191334656 /nfs/dbraw/zinc/33/46/56/191334656.db2.gz JNBJJEJVRILBNK-UHFFFAOYSA-N -1 3 278.352 3.471 20 0 CGADHM [O-]C(=NOC1CCCC1)Nc1cc(-c2ccccc2)on1 ZINC000271869556 191379000 /nfs/dbraw/zinc/37/90/00/191379000.db2.gz VYMALNGNXIVDGT-UHFFFAOYSA-N -1 3 287.319 3.337 20 0 CGADHM O=C([N-]OC1CCCC1)Nc1cc(-c2ccccc2)on1 ZINC000271869556 191379002 /nfs/dbraw/zinc/37/90/02/191379002.db2.gz VYMALNGNXIVDGT-UHFFFAOYSA-N -1 3 287.319 3.337 20 0 CGADHM Cc1ccsc1CN[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC000417621447 235642099 /nfs/dbraw/zinc/64/20/99/235642099.db2.gz MVCNBZJSRXGALJ-UONOGXRCSA-N -1 3 287.384 3.459 20 0 CGADHM CC(C(=O)Nc1cccc(Cl)c1[O-])C(F)(F)F ZINC000336342050 213190784 /nfs/dbraw/zinc/19/07/84/213190784.db2.gz ZLFIXWONJVNQQZ-RXMQYKEDSA-N -1 3 267.634 3.183 20 0 CGADHM COc1cccc([C@@H](C)C(=O)Nc2ccc([O-])cc2F)c1 ZINC000124459842 138375181 /nfs/dbraw/zinc/37/51/81/138375181.db2.gz KBQKNSNCGAEQRO-SNVBAGLBSA-N -1 3 289.306 3.282 20 0 CGADHM C[C@H](C(=O)Nc1ccc([O-])cc1F)c1ccccc1F ZINC000124582258 138376476 /nfs/dbraw/zinc/37/64/76/138376476.db2.gz WGBFAHUEPRMTQE-VIFPVBQESA-N -1 3 277.270 3.413 20 0 CGADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1ccco1 ZINC000125388363 138382139 /nfs/dbraw/zinc/38/21/39/138382139.db2.gz GEARAZMAPGJSRS-UHFFFAOYSA-N -1 3 271.194 3.256 20 0 CGADHM O=C(NCC1(Cc2ccccc2)CC1)c1cccc([O-])c1 ZINC000182852102 138432273 /nfs/dbraw/zinc/43/22/73/138432273.db2.gz PEYYGMTYLMCXTO-UHFFFAOYSA-N -1 3 281.355 3.145 20 0 CGADHM CC(C)=CCC[C@@H](C)NC(=O)Cc1ccc([O-])c(F)c1 ZINC000452544584 535360289 /nfs/dbraw/zinc/36/02/89/535360289.db2.gz RWKRSHFIVKSBLL-GFCCVEGCSA-N -1 3 279.355 3.325 20 0 CGADHM Cc1nc(C2CC2)ccc1C(=O)Nc1ccccc1[O-] ZINC000294356842 199010671 /nfs/dbraw/zinc/01/06/71/199010671.db2.gz BJGZFCVSFRPQTN-UHFFFAOYSA-N -1 3 268.316 3.225 20 0 CGADHM Cc1cc(F)c(CN[C@H](C)CCCC(=O)[O-])c(F)c1 ZINC000424627327 236173564 /nfs/dbraw/zinc/17/35/64/236173564.db2.gz VQNWYNBVUIWBCS-SNVBAGLBSA-N -1 3 271.307 3.006 20 0 CGADHM C[C@H](CCCCC(=O)[O-])NCc1cc(F)ccc1F ZINC000426653729 236304900 /nfs/dbraw/zinc/30/49/00/236304900.db2.gz FJAAVXRCWQJPFV-SNVBAGLBSA-N -1 3 271.307 3.088 20 0 CGADHM Cc1ccc(CN[C@H](CC(=O)[O-])c2ccsc2)s1 ZINC000426691405 236307243 /nfs/dbraw/zinc/30/72/43/236307243.db2.gz HOHISDAZTJLFEF-GFCCVEGCSA-N -1 3 281.402 3.424 20 0 CGADHM O=C([O-])[C@H](NC/C=C/c1ccc(F)cc1)c1cccs1 ZINC000426790348 236314855 /nfs/dbraw/zinc/31/48/55/236314855.db2.gz CUFOTNPALXVKJY-XYHHVPKHSA-N -1 3 291.347 3.316 20 0 CGADHM O=C(CC1CCCCCC1)Nc1nnc(-c2ccco2)[n-]1 ZINC000426754721 236311952 /nfs/dbraw/zinc/31/19/52/236311952.db2.gz SOPWOMIASATSGA-UHFFFAOYSA-N -1 3 288.351 3.364 20 0 CGADHM O=C(CC1CCCCCC1)Nc1nc(-c2ccco2)n[n-]1 ZINC000426754721 236311954 /nfs/dbraw/zinc/31/19/54/236311954.db2.gz SOPWOMIASATSGA-UHFFFAOYSA-N -1 3 288.351 3.364 20 0 CGADHM O=C(CC1CCCCCC1)Nc1n[n-]c(-c2ccco2)n1 ZINC000426754721 236311957 /nfs/dbraw/zinc/31/19/57/236311957.db2.gz SOPWOMIASATSGA-UHFFFAOYSA-N -1 3 288.351 3.364 20 0 CGADHM [O-]c1cccc(CN2CCCC3(CC3)C2)c1Cl ZINC000294677310 199130300 /nfs/dbraw/zinc/13/03/00/199130300.db2.gz MNUKYTPAHVEHAI-UHFFFAOYSA-N -1 3 251.757 3.422 20 0 CGADHM CCc1ccc(C(=O)N2CCC[C@H](CSC)C2)c([O-])c1 ZINC000294686027 199134144 /nfs/dbraw/zinc/13/41/44/199134144.db2.gz PUPDHWOACZPJLE-ZDUSSCGKSA-N -1 3 293.432 3.170 20 0 CGADHM O=C(Nc1cccc([O-])c1F)[C@@H]1CCCCC1(F)F ZINC000336186470 213005219 /nfs/dbraw/zinc/00/52/19/213005219.db2.gz VSFBTZHCWFPVEE-QMMMGPOBSA-N -1 3 273.254 3.295 20 0 CGADHM C[C@H]1CN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])[C@H]1C ZINC000436633940 237150085 /nfs/dbraw/zinc/15/00/85/237150085.db2.gz JDGZHVMFOKKGKT-KBPBESRZSA-N -1 3 295.382 3.463 20 0 CGADHM Cc1ccc(C(=O)N2CC(c3ccccc3F)C2)c([O-])c1C ZINC000436659284 237152272 /nfs/dbraw/zinc/15/22/72/237152272.db2.gz ZDMBSZLLTPGGNJ-UHFFFAOYSA-N -1 3 299.345 3.388 20 0 CGADHM Cc1cnn(C)c1/C=C/c1ccc2cc(C)cc([O-])c2n1 ZINC000436573426 237131406 /nfs/dbraw/zinc/13/14/06/237131406.db2.gz CKLNSKKMWKFVQZ-VOTSOKGWSA-N -1 3 279.343 3.461 20 0 CGADHM C[C@@H]1[C@H](Cc2ccccc2)CCN1C(=O)c1ccccc1[O-] ZINC000436576248 237134707 /nfs/dbraw/zinc/13/47/07/237134707.db2.gz OVKNNLPXFMQXEY-ZBFHGGJFSA-N -1 3 295.382 3.486 20 0 CGADHM Cc1ccc(C(=O)N2CCc3cccc(F)c32)c([O-])c1C ZINC000436597590 237140015 /nfs/dbraw/zinc/14/00/15/237140015.db2.gz VXGDYMZRGBYCFY-UHFFFAOYSA-N -1 3 285.318 3.351 20 0 CGADHM CCOc1cccc([C@@H](C)NC(=O)c2ccccc2[O-])c1 ZINC000436721328 237167373 /nfs/dbraw/zinc/16/73/73/237167373.db2.gz XMFMXHGROKVSOF-GFCCVEGCSA-N -1 3 285.343 3.282 20 0 CGADHM Cc1ccc(C(=O)N(C)C[C@H]2CC=CCC2)c([O-])c1C ZINC000436838312 237193327 /nfs/dbraw/zinc/19/33/27/237193327.db2.gz MLDRQMBNRKUHGU-AWEZNQCLSA-N -1 3 273.376 3.437 20 0 CGADHM Cc1cccc(C(=O)N[C@H](C)c2cccc(F)c2F)c1[O-] ZINC000436872635 237199732 /nfs/dbraw/zinc/19/97/32/237199732.db2.gz USJXBVVLDYNIEN-SNVBAGLBSA-N -1 3 291.297 3.470 20 0 CGADHM Cc1cc(C(=O)NCCO[C@H]2CCCC[C@H]2C)ccc1[O-] ZINC000436898596 237204430 /nfs/dbraw/zinc/20/44/30/237204430.db2.gz YYUOORLPFCJJHU-WBMJQRKESA-N -1 3 291.391 3.026 20 0 CGADHM CCOc1ncccc1-c1noc(-c2cccc(C)c2[O-])n1 ZINC000436918019 237207722 /nfs/dbraw/zinc/20/77/22/237207722.db2.gz ZSHOUAKDRWVMOZ-UHFFFAOYSA-N -1 3 297.314 3.211 20 0 CGADHM CC(C)O[N-]C(=O)CCOc1ccc2ccccc2c1 ZINC000297146930 200097325 /nfs/dbraw/zinc/09/73/25/200097325.db2.gz IRNFMWXHWBRDPP-UHFFFAOYSA-N -1 3 273.332 3.065 20 0 CGADHM Cc1ccc(NC(=O)c2c[n-]nc2-c2ccncc2)cc1F ZINC000341626966 216039912 /nfs/dbraw/zinc/03/99/12/216039912.db2.gz PDGRRKBMFSJHRP-UHFFFAOYSA-N -1 3 296.305 3.172 20 0 CGADHM Cc1ccc(NC(=O)c2cn[n-]c2-c2ccncc2)cc1F ZINC000341626966 216039915 /nfs/dbraw/zinc/03/99/15/216039915.db2.gz PDGRRKBMFSJHRP-UHFFFAOYSA-N -1 3 296.305 3.172 20 0 CGADHM CC(C)ON=C([O-])Nc1ccc(OC(F)F)c(Cl)c1 ZINC000297442629 200191380 /nfs/dbraw/zinc/19/13/80/200191380.db2.gz LMLHAFHVIXOWFV-UHFFFAOYSA-N -1 3 294.685 3.403 20 0 CGADHM CC(C)O[N-]C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000297442629 200191381 /nfs/dbraw/zinc/19/13/81/200191381.db2.gz LMLHAFHVIXOWFV-UHFFFAOYSA-N -1 3 294.685 3.403 20 0 CGADHM Cc1ccc(NC(=O)COc2ccsc2Cl)c([O-])c1 ZINC000341692452 216068576 /nfs/dbraw/zinc/06/85/76/216068576.db2.gz YSBGLVWVUHUTGM-UHFFFAOYSA-N -1 3 297.763 3.433 20 0 CGADHM O=C(Nc1cc(Br)ccc1[O-])C1CCCC1 ZINC000176438019 188995341 /nfs/dbraw/zinc/99/53/41/188995341.db2.gz DYTIVNYKYPWUHE-UHFFFAOYSA-N -1 3 284.153 3.283 20 0 CGADHM CO[C@H](C(=O)[N-]c1onc(C2CCCCC2)c1C)C1CC1 ZINC000297907545 200302995 /nfs/dbraw/zinc/30/29/95/200302995.db2.gz WSYUFLAVKBPMII-AWEZNQCLSA-N -1 3 292.379 3.394 20 0 CGADHM C[C@@H](C(=O)Nc1ccccc1[O-])c1ccc(F)c(F)c1 ZINC000335902984 212679584 /nfs/dbraw/zinc/67/95/84/212679584.db2.gz RUEVSABHCCYCAR-SECBINFHSA-N -1 3 277.270 3.413 20 0 CGADHM Cc1ccc2[n-]cc(C(=O)N3CCC[C@H](C)[C@@H]3C)c(=O)c2c1 ZINC000341916015 216150174 /nfs/dbraw/zinc/15/01/74/216150174.db2.gz JAGPWHAANFHDON-STQMWFEESA-N -1 3 298.386 3.097 20 0 CGADHM Cc1ccsc1[C@H]1C[C@@H]1C(=O)[N-]OCc1ccccc1 ZINC000178556853 189126701 /nfs/dbraw/zinc/12/67/01/189126701.db2.gz KMLUGWNHUNDLJB-KBPBESRZSA-N -1 3 287.384 3.408 20 0 CGADHM Cc1ccc([O-])c(CN(C)[C@H](C)c2ccccc2)n1 ZINC000119372641 370670726 /nfs/dbraw/zinc/67/07/26/370670726.db2.gz UJRCULLISONMJJ-CYBMUJFWSA-N -1 3 256.349 3.289 20 0 CGADHM Cc1cccc([O-])c1NC(=O)[C@@H]1Cc2cc(C)c(C)cc2O1 ZINC000179542276 189200617 /nfs/dbraw/zinc/20/06/17/189200617.db2.gz BZFJUQHTPVKUKJ-INIZCTEOSA-N -1 3 297.354 3.260 20 0 CGADHM CCC(CC)[C@H]1C[C@@H](NC(=O)c2ccccc2[O-])CCO1 ZINC000180818115 189277199 /nfs/dbraw/zinc/27/71/99/189277199.db2.gz UWMISTLZFLJRPP-XJKSGUPXSA-N -1 3 291.391 3.106 20 0 CGADHM CCc1nc(C)c([C@@H](C)N(C)CCCCC(=O)[O-])s1 ZINC000181587480 189301440 /nfs/dbraw/zinc/30/14/40/189301440.db2.gz RRQNVOODDIKVET-LLVKDONJSA-N -1 3 284.425 3.262 20 0 CGADHM CCc1cc(=O)[n-]c(-c2ccc(NCCC3CCC3)nc2)n1 ZINC000301581531 201079031 /nfs/dbraw/zinc/07/90/31/201079031.db2.gz TVSQEJDLNRWUEL-UHFFFAOYSA-N -1 3 298.390 3.409 20 0 CGADHM CC[C@H]1CCCC[C@@H]1OCC(=O)Nc1cc(F)ccc1[O-] ZINC000184836692 189396950 /nfs/dbraw/zinc/39/69/50/189396950.db2.gz BLEYTYQJXPVHEF-NHYWBVRUSA-N -1 3 295.354 3.455 20 0 CGADHM C[C@H](NC(=O)c1ccc2c(c1[O-])CCCC2)c1ccccn1 ZINC000184909501 189398905 /nfs/dbraw/zinc/39/89/05/189398905.db2.gz NIFUTWXRBRUBFQ-LBPRGKRZSA-N -1 3 296.370 3.157 20 0 CGADHM C[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)c1ccccc1[O-] ZINC000336351834 213200183 /nfs/dbraw/zinc/20/01/83/213200183.db2.gz GPCYRATVHAHHOP-ONGXEEELSA-N -1 3 287.281 3.195 20 0 CGADHM FC(F)(F)c1csc(=NC[C@H]2CCCC2(F)F)[n-]1 ZINC000450733633 240060194 /nfs/dbraw/zinc/06/01/94/240060194.db2.gz ABZZHIRXYDFYDC-ZCFIWIBFSA-N -1 3 286.269 3.431 20 0 CGADHM CC(=O)CCCCCSc1n[n-]c(-c2ccccn2)n1 ZINC000450844042 240113172 /nfs/dbraw/zinc/11/31/72/240113172.db2.gz JRNVYMCTJFBLAB-UHFFFAOYSA-N -1 3 290.392 3.108 20 0 CGADHM C[C@@H]1CCC[C@@H](NC(=O)Cc2ccc([O-])c(F)c2)CC1 ZINC000451022524 240194036 /nfs/dbraw/zinc/19/40/36/240194036.db2.gz BMGXQNVQAOCDOZ-DGCLKSJQSA-N -1 3 279.355 3.159 20 0 CGADHM CCC[C@H](OC)C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000451482649 240312075 /nfs/dbraw/zinc/31/20/75/240312075.db2.gz WLQVTHUMPBKQLO-AWEZNQCLSA-N -1 3 279.380 3.443 20 0 CGADHM CSCc1cccc(CNCc2nc(C)ccc2[O-])c1 ZINC000275634844 193091356 /nfs/dbraw/zinc/09/13/56/193091356.db2.gz RCFFCGQTEBGELX-UHFFFAOYSA-N -1 3 288.416 3.248 20 0 CGADHM CN(CCCCC(=O)[O-])Cc1ccc(F)c(Cl)c1 ZINC000455648682 241306786 /nfs/dbraw/zinc/30/67/86/241306786.db2.gz CLNRIESNBYULJY-UHFFFAOYSA-N -1 3 273.735 3.166 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CCc3cccc(F)c32)c1 ZINC000537663556 376191617 /nfs/dbraw/zinc/19/16/17/376191617.db2.gz NSSHEMTYXKLODK-UHFFFAOYSA-N -1 3 271.291 3.043 20 0 CGADHM O=C([C@H]1CCC(F)(F)C1)N1CCCc2cccc([O-])c21 ZINC000335048500 296099965 /nfs/dbraw/zinc/09/99/65/296099965.db2.gz BZWMRMGQZAGBRA-NSHDSACASA-N -1 3 281.302 3.107 20 0 CGADHM [O-]c1cccc(CN[C@@H]2CCC[C@@H]2F)c1Br ZINC000459583237 242136359 /nfs/dbraw/zinc/13/63/59/242136359.db2.gz FTBBAIUVHOVCDO-VHSXEESVSA-N -1 3 288.160 3.135 20 0 CGADHM CC[C@@H](C)C[C@@H](C)[N-]S(=O)(=O)c1cc(C)ccc1F ZINC000462707601 242357969 /nfs/dbraw/zinc/35/79/69/242357969.db2.gz VOEWOOOARBIMIS-ZYHUDNBSSA-N -1 3 287.400 3.237 20 0 CGADHM C[C@@H]1C[C@@H](C)[C@@H](C)N(C(=O)Cc2ccc([O-])cc2Cl)C1 ZINC000476545120 243015989 /nfs/dbraw/zinc/01/59/89/243015989.db2.gz LQXNHXBMLHOQMS-IJLUTSLNSA-N -1 3 295.810 3.481 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2ccccc2OCC2CC2)n1 ZINC000486124325 243353779 /nfs/dbraw/zinc/35/37/79/243353779.db2.gz JRJZWWHSWXLZIV-HJWRWDBZSA-N -1 3 282.343 3.450 20 0 CGADHM CCc1cc(C(=O)Nc2c(C)noc2C2CC2)ccc1[O-] ZINC000486993698 243393739 /nfs/dbraw/zinc/39/37/39/243393739.db2.gz CUHUFAPRHOHGJB-UHFFFAOYSA-N -1 3 286.331 3.381 20 0 CGADHM O=C(Nc1ncccc1[O-])c1cc2cc(Cl)sc2[nH]1 ZINC000487048576 243395703 /nfs/dbraw/zinc/39/57/03/243395703.db2.gz SHSYWLFJIHBILS-UHFFFAOYSA-N -1 3 293.735 3.236 20 0 CGADHM Cc1ccc(C(=O)Nc2ccc(F)c(F)c2)c([O-])c1 ZINC000019839275 368769601 /nfs/dbraw/zinc/76/96/01/368769601.db2.gz YTYRHUDCVNGRRD-UHFFFAOYSA-N -1 3 263.243 3.231 20 0 CGADHM CCOc1ccc(CN(C)C(=O)c2ccc(C)cc2[O-])cc1 ZINC000023571635 368822131 /nfs/dbraw/zinc/82/21/31/368822131.db2.gz JCHQVRJWULUEQF-UHFFFAOYSA-N -1 3 299.370 3.372 20 0 CGADHM Cc1cc(C(=O)[N-]c2ccc(Br)cc2F)on1 ZINC000026361445 368858331 /nfs/dbraw/zinc/85/83/31/368858331.db2.gz GWIHKHCAAWPENZ-UHFFFAOYSA-N -1 3 299.099 3.137 20 0 CGADHM [O-]c1ccc(-c2noc(-c3ccc(F)cc3F)n2)cc1 ZINC000034956080 368981526 /nfs/dbraw/zinc/98/15/26/368981526.db2.gz CWTLQSNCBZSNOL-UHFFFAOYSA-N -1 3 274.226 3.387 20 0 CGADHM O=C(/C=C/c1nc2ccccc2o1)[N-]OC1CCCCC1 ZINC000492717692 244011274 /nfs/dbraw/zinc/01/12/74/244011274.db2.gz IRAFBZKDFXCCFB-ZHACJKMWSA-N -1 3 286.331 3.222 20 0 CGADHM O=C(/C=C/c1ccsc1)Nc1cccc([O-])c1F ZINC000492823566 244033175 /nfs/dbraw/zinc/03/31/75/244033175.db2.gz NLUKGZXRTRVFJC-SNAWJCMRSA-N -1 3 263.293 3.245 20 0 CGADHM CN(Cc1ccccc1Cl)C(=O)c1cccc([O-])c1 ZINC000042258663 369208446 /nfs/dbraw/zinc/20/84/46/369208446.db2.gz VDFNMORHQULKPU-UHFFFAOYSA-N -1 3 275.735 3.318 20 0 CGADHM CCc1cc(C(=O)N[C@H]2c3ccccc3O[C@@H]2C)ccc1[O-] ZINC000495180656 244364213 /nfs/dbraw/zinc/36/42/13/244364213.db2.gz ABWKKDTXJUHTMH-PIGZYNQJSA-N -1 3 297.354 3.207 20 0 CGADHM Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)c([O-])c1C ZINC000048383782 369344879 /nfs/dbraw/zinc/34/48/79/369344879.db2.gz LXWATXWYWFVEOY-GHMZBOCLSA-N -1 3 261.365 3.127 20 0 CGADHM CC(C)(C)c1nnc([N-]C(=O)c2cc(Cl)ccn2)s1 ZINC000048665398 369363883 /nfs/dbraw/zinc/36/38/83/369363883.db2.gz DZKWNNUGOJLBEO-UHFFFAOYSA-N -1 3 296.783 3.136 20 0 CGADHM Cc1ccc(NC(=O)CSCCC(C)C)c([O-])c1 ZINC000048962450 369376997 /nfs/dbraw/zinc/37/69/97/369376997.db2.gz AQTJENNLGJSISV-UHFFFAOYSA-N -1 3 267.394 3.418 20 0 CGADHM O=C([O-])CC[C@@H]1CCCCN1Cc1ccccc1F ZINC000050924999 369444164 /nfs/dbraw/zinc/44/41/64/369444164.db2.gz JMQUSYNADFVCMN-ZDUSSCGKSA-N -1 3 265.328 3.045 20 0 CGADHM CCCOc1ccc(NC(=O)c2cccc([O-])c2)cc1 ZINC000051786563 369455471 /nfs/dbraw/zinc/45/54/71/369455471.db2.gz SZOUVNTVOGSICS-UHFFFAOYSA-N -1 3 271.316 3.433 20 0 CGADHM CCCCCN(C(=O)c1ccc([O-])c(OC)c1)C(C)C ZINC000276220659 193247769 /nfs/dbraw/zinc/24/77/69/193247769.db2.gz QJWFATQRNXFPEX-UHFFFAOYSA-N -1 3 279.380 3.442 20 0 CGADHM C[C@H]1CCC[C@@H](CNC(=O)c2c[n-]c3ccccc3c2=O)C1 ZINC000055487056 369519192 /nfs/dbraw/zinc/51/91/92/369519192.db2.gz FTDJZKLZDNABRU-QWHCGFSZSA-N -1 3 298.386 3.084 20 0 CGADHM O=C(Nc1ccccc1[O-])[C@H]1C[C@H]1c1ccc(F)cc1F ZINC000113414274 370473155 /nfs/dbraw/zinc/47/31/55/370473155.db2.gz CWQJNXKXCHBGIB-RYUDHWBXSA-N -1 3 289.281 3.413 20 0 CGADHM COc1cc(C)sc1C(=O)Nc1ccc(C)cc1[O-] ZINC000113981861 370488708 /nfs/dbraw/zinc/48/87/08/370488708.db2.gz NQMSTRODHAGUSC-UHFFFAOYSA-N -1 3 277.345 3.331 20 0 CGADHM NC1(c2noc(-c3ccc([O-])c(Cl)c3)n2)CCCCC1 ZINC000331628213 204026070 /nfs/dbraw/zinc/02/60/70/204026070.db2.gz HOKSNBVUARKTPF-UHFFFAOYSA-N -1 3 293.754 3.214 20 0 CGADHM C[C@@H]1C[C@@H](C)CN(C(=O)Cc2ccc([O-])cc2Cl)C1 ZINC000136063869 371460307 /nfs/dbraw/zinc/46/03/07/371460307.db2.gz NOYVAGLCOPZFIZ-GHMZBOCLSA-N -1 3 281.783 3.093 20 0 CGADHM CCC[C@H]1CCCN(C(=O)c2c[n-]c3ccccc3c2=O)C1 ZINC000137056885 371490909 /nfs/dbraw/zinc/49/09/09/371490909.db2.gz BXKGPABKUYYOEA-ZDUSSCGKSA-N -1 3 298.386 3.180 20 0 CGADHM CCO[N-]C(=O)Nc1ccc(N2CCCCCC2)cc1C ZINC000287166384 371613380 /nfs/dbraw/zinc/61/33/80/371613380.db2.gz JEOFHGKXVBOFBL-UHFFFAOYSA-N -1 3 291.395 3.448 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)[C@]23C[C@H]2CCC3)c1[O-] ZINC000421789791 371632612 /nfs/dbraw/zinc/63/26/12/371632612.db2.gz BQLSFXGRQOBBPW-YMTOWFKASA-N -1 3 265.740 3.483 20 0 CGADHM O=C(Nc1ccc(Cl)cc1[O-])[C@]12C[C@H]1CCC2 ZINC000421791003 371633830 /nfs/dbraw/zinc/63/38/30/371633830.db2.gz GVUOJUFYVYSSOL-AMIZOPFISA-N -1 3 251.713 3.174 20 0 CGADHM COc1cc(C)c(NC([O-])=NOC/C=C/Cl)cc1C ZINC000289581792 371765240 /nfs/dbraw/zinc/76/52/40/371765240.db2.gz DXKXAZNGFCQDOD-SNAWJCMRSA-N -1 3 284.743 3.118 20 0 CGADHM COc1cc(C)c(NC(=O)[N-]OC/C=C/Cl)cc1C ZINC000289581792 371765248 /nfs/dbraw/zinc/76/52/48/371765248.db2.gz DXKXAZNGFCQDOD-SNAWJCMRSA-N -1 3 284.743 3.118 20 0 CGADHM O=C(Nc1ccc(Cl)cc1[O-])[C@@H]1CC=CCC1 ZINC000153429534 371767869 /nfs/dbraw/zinc/76/78/69/371767869.db2.gz KDTUPEPHBOHYPE-SECBINFHSA-N -1 3 251.713 3.340 20 0 CGADHM CC[C@@](C)(OC)c1noc(-c2cc(C)cc(OC)c2[O-])n1 ZINC000290634164 372032384 /nfs/dbraw/zinc/03/23/84/372032384.db2.gz ZZTSVMXKVNNETB-OAHLLOKOSA-N -1 3 292.335 3.031 20 0 CGADHM O=c1[n-]c(-c2cncs2)nc2cc(C(F)(F)F)ccc12 ZINC000426124502 372150116 /nfs/dbraw/zinc/15/01/16/372150116.db2.gz SLCHRRPLQDVIIF-UHFFFAOYSA-N -1 3 297.261 3.478 20 0 CGADHM Cc1ncc(CNCc2cccc(Cl)c2Cl)c(=O)[n-]1 ZINC000344359160 217166048 /nfs/dbraw/zinc/16/60/48/217166048.db2.gz OQYWFRUZJABCFP-UHFFFAOYSA-N -1 3 298.173 3.087 20 0 CGADHM CC(C)[C@@H](O)Cc1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000293472090 372390400 /nfs/dbraw/zinc/39/04/00/372390400.db2.gz RVWJNUYHYYQSCM-HNNXBMFYSA-N -1 3 298.342 3.155 20 0 CGADHM Cc1nc(CCNCc2c(F)ccc([O-])c2F)sc1C ZINC000293552966 372409573 /nfs/dbraw/zinc/40/95/73/372409573.db2.gz HGCJNMFVFJUIKG-UHFFFAOYSA-N -1 3 298.358 3.076 20 0 CGADHM C/C(=C/C(=O)[N-]OCCC(F)(F)F)c1ccccc1 ZINC000162711343 372411858 /nfs/dbraw/zinc/41/18/58/372411858.db2.gz LOEMCSCKRBGYPD-KTKRTIGZSA-N -1 3 273.254 3.090 20 0 CGADHM C[C@](O)(CNCc1cccc([O-])c1Cl)c1ccccc1 ZINC000293580478 372416549 /nfs/dbraw/zinc/41/65/49/372416549.db2.gz NRCFODIYDJXODO-INIZCTEOSA-N -1 3 291.778 3.043 20 0 CGADHM C[C@H](CCO)C1(CNCc2cccc([O-])c2Cl)CCC1 ZINC000293363623 372366350 /nfs/dbraw/zinc/36/63/50/372366350.db2.gz UTHRGYSYGZNXLE-GFCCVEGCSA-N -1 3 297.826 3.324 20 0 CGADHM Cc1ccc([O-])c(CN[C@@]2(C)CCCc3ccccc32)n1 ZINC000344351368 217164558 /nfs/dbraw/zinc/16/45/58/217164558.db2.gz PHCMWRYNYBIZIS-SFHVURJKSA-N -1 3 282.387 3.437 20 0 CGADHM Cc1ccc(C(=O)N2CC[C@]3(C)[C@H](C2)C3(F)F)c([O-])c1C ZINC000293773276 372476505 /nfs/dbraw/zinc/47/65/05/372476505.db2.gz YORYLCGAYFJPFB-SWLSCSKDSA-N -1 3 295.329 3.126 20 0 CGADHM CCC1(CNCc2cccc([O-])c2Cl)CCOCC1 ZINC000293667098 372442346 /nfs/dbraw/zinc/44/23/46/372442346.db2.gz UOGQYYXWRZJFBT-UHFFFAOYSA-N -1 3 283.799 3.342 20 0 CGADHM [O-]c1ccc(F)c(CNCc2nc(C3CC3)cs2)c1F ZINC000293670162 372444819 /nfs/dbraw/zinc/44/48/19/372444819.db2.gz QMCAYUWTPNWQNG-UHFFFAOYSA-N -1 3 296.342 3.294 20 0 CGADHM C[C@@H](Cc1ccc(O)cc1)NCc1cccc([O-])c1Cl ZINC000293687436 372451193 /nfs/dbraw/zinc/45/11/93/372451193.db2.gz WCCPSYFIKNMJIH-NSHDSACASA-N -1 3 291.778 3.472 20 0 CGADHM CN(C(=O)NCc1ccc([O-])c(F)c1)C1CCCCCC1 ZINC000163691788 372487627 /nfs/dbraw/zinc/48/76/27/372487627.db2.gz JSCSBFSZUCAIHT-UHFFFAOYSA-N -1 3 294.370 3.396 20 0 CGADHM CC[C@@H](CSC)N(C)Cc1ccc(C(=O)[O-])s1 ZINC000167729306 372602208 /nfs/dbraw/zinc/60/22/08/372602208.db2.gz YHXAQUAOOJOMMB-VIFPVBQESA-N -1 3 273.423 3.020 20 0 CGADHM CC1(C)CCC[C@H]1CNC(=O)c1c[n-]c2ccccc2c1=O ZINC000294248570 372625982 /nfs/dbraw/zinc/62/59/82/372625982.db2.gz SQHBSAOHNRCRQC-LBPRGKRZSA-N -1 3 298.386 3.497 20 0 CGADHM O=C(Nc1ccccc1[O-])c1cc2sccc2[nH]1 ZINC000170237047 372636518 /nfs/dbraw/zinc/63/65/18/372636518.db2.gz NYGGCWQSQHVAGY-UHFFFAOYSA-N -1 3 258.302 3.187 20 0 CGADHM Cc1occc1CN(C)Cc1c(F)ccc([O-])c1F ZINC000295399719 372765896 /nfs/dbraw/zinc/76/58/96/372765896.db2.gz QOXZCYCIPKYAFI-UHFFFAOYSA-N -1 3 267.275 3.204 20 0 CGADHM Cc1ccc(C(=O)N[C@@H](C)c2ccsc2)c([O-])c1 ZINC000061367978 541884851 /nfs/dbraw/zinc/88/48/51/541884851.db2.gz ADWZLEVVFQQJTL-JTQLQIEISA-N -1 3 261.346 3.253 20 0 CGADHM Cc1ccc([O-])c(CNCc2ccccc2N(C)C(C)C)n1 ZINC000438343715 372932687 /nfs/dbraw/zinc/93/26/87/372932687.db2.gz DAZVPHAKVGWDIV-UHFFFAOYSA-N -1 3 299.418 3.230 20 0 CGADHM Cc1cc(C(=O)N2CCCCC(C)(C)C2)ccc1[O-] ZINC000438506083 372966551 /nfs/dbraw/zinc/96/65/51/372966551.db2.gz PBAXIFNHIFBSDN-UHFFFAOYSA-N -1 3 261.365 3.353 20 0 CGADHM Cc1noc([N-]C(=O)c2cc(-c3ccccc3)on2)c1C ZINC000440621211 372988850 /nfs/dbraw/zinc/98/88/50/372988850.db2.gz FECQYTVWKVYSNY-UHFFFAOYSA-N -1 3 283.287 3.199 20 0 CGADHM COc1cc(C(=O)N2CCC[C@H]2CC(C)C)ccc1[O-] ZINC000442641364 373061941 /nfs/dbraw/zinc/06/19/41/373061941.db2.gz CLRNOZBHHFUSIG-ZDUSSCGKSA-N -1 3 277.364 3.052 20 0 CGADHM O=C(CC1CC1)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000442817594 373096082 /nfs/dbraw/zinc/09/60/82/373096082.db2.gz ZHBQCINJGXYROP-UHFFFAOYSA-N -1 3 275.226 3.029 20 0 CGADHM CCC[C@@H](OC)c1nc(-c2ccc([O-])c(OCC)c2)no1 ZINC000296685962 373220947 /nfs/dbraw/zinc/22/09/47/373220947.db2.gz GVAOIFOCZCGAQI-GFCCVEGCSA-N -1 3 292.335 3.329 20 0 CGADHM O=S(=O)([N-]CCC1CC1)c1cc(Cl)ccc1Cl ZINC000173766885 373188506 /nfs/dbraw/zinc/18/85/06/373188506.db2.gz IZCIIYOGWXHXBX-UHFFFAOYSA-N -1 3 294.203 3.072 20 0 CGADHM CC(C)[C@H]1CCCN(C(=O)Cc2ccc([O-])cc2Cl)C1 ZINC000444519772 373196719 /nfs/dbraw/zinc/19/67/19/373196719.db2.gz HWWSQICTGODIRR-ZDUSSCGKSA-N -1 3 295.810 3.483 20 0 CGADHM C[C@@H]1CCN(Cc2ccc(C(=O)[O-])cc2F)[C@H](C)C1 ZINC000062752966 541887190 /nfs/dbraw/zinc/88/71/90/541887190.db2.gz FYIGQYQNYZQCRX-GHMZBOCLSA-N -1 3 265.328 3.144 20 0 CGADHM Cc1sc2[n-]c(COC3CCCC3)nc(=O)c2c1C ZINC000174446681 373316824 /nfs/dbraw/zinc/31/68/24/373316824.db2.gz FSWCLTFNEMFRPJ-UHFFFAOYSA-N -1 3 278.377 3.061 20 0 CGADHM Cc1ccc(C(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2)c([O-])c1 ZINC000447765487 373485882 /nfs/dbraw/zinc/48/58/82/373485882.db2.gz DKYAHEKQONNHKK-LSDHHAIUSA-N -1 3 285.318 3.126 20 0 CGADHM C[C@H]1CCCN(Cc2cccc(Cl)c2F)[C@H]1C(=O)[O-] ZINC000300274619 373623811 /nfs/dbraw/zinc/62/38/11/373623811.db2.gz TXINGRPCYIUHHD-TVQRCGJNSA-N -1 3 285.746 3.164 20 0 CGADHM Cc1ccc(NC(=O)[C@H]2CCN(c3ccccc3)C2)c([O-])c1 ZINC000448576389 373609963 /nfs/dbraw/zinc/60/99/63/373609963.db2.gz ZVKUDTGZWFCLNH-AWEZNQCLSA-N -1 3 296.370 3.166 20 0 CGADHM [O-]c1ccc(CNc2nc3ccccc3o2)cc1F ZINC000301375777 373763900 /nfs/dbraw/zinc/76/39/00/373763900.db2.gz SEPUXMVRCDPJFZ-UHFFFAOYSA-N -1 3 258.252 3.285 20 0 CGADHM CC(C)c1ncsc1C(=O)NCc1ccc([O-])c(F)c1 ZINC000449917373 373970188 /nfs/dbraw/zinc/97/01/88/373970188.db2.gz ZZGFVBIBBPSQOD-UHFFFAOYSA-N -1 3 294.351 3.041 20 0 CGADHM Cc1ccc(C(=O)NC[C@@H](C)Cc2cccs2)c([O-])c1 ZINC000303961827 374033945 /nfs/dbraw/zinc/03/39/45/374033945.db2.gz WXXUGYQTBPNJOW-LBPRGKRZSA-N -1 3 289.400 3.371 20 0 CGADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)[C@H](C)[C@@H](C)CC ZINC000181267889 374100584 /nfs/dbraw/zinc/10/05/84/374100584.db2.gz PYANKNBUXLIOHK-VHSXEESVSA-N -1 3 296.367 3.034 20 0 CGADHM C[C@@H](CNCc1c(Cl)cccc1Cl)CC(=O)[O-] ZINC000310494004 374218684 /nfs/dbraw/zinc/21/86/84/374218684.db2.gz HYKTYFQEQRKWSM-MRVPVSSYSA-N -1 3 276.163 3.194 20 0 CGADHM Cc1cccc([C@H](C)N[C@H](C)c2nc(C)cc(=O)[n-]2)c1 ZINC000452080006 374229048 /nfs/dbraw/zinc/22/90/48/374229048.db2.gz GSSJZSPBXAYTGO-QWHCGFSZSA-N -1 3 271.364 3.211 20 0 CGADHM Cc1onc(NC(=O)CCCc2ccc([O-])c(F)c2)c1C ZINC000452158171 374256352 /nfs/dbraw/zinc/25/63/52/374256352.db2.gz CAPXHMLLRXERJS-UHFFFAOYSA-N -1 3 292.310 3.098 20 0 CGADHM CCCn1c(C(=O)N=c2[n-]oc(C)c2C)cc2ccccc21 ZINC000452168834 374261881 /nfs/dbraw/zinc/26/18/81/374261881.db2.gz WRFRJMUGPQRZFL-UHFFFAOYSA-N -1 3 297.358 3.330 20 0 CGADHM CCC1(CC)[C@@H](OC)C[C@@H]1N(C)C(=O)c1cccc([O-])c1 ZINC000182825054 374332753 /nfs/dbraw/zinc/33/27/53/374332753.db2.gz BGRANKZATNSQMT-GJZGRUSLSA-N -1 3 291.391 3.058 20 0 CGADHM COc1cccc([C@@H]2C[C@@H]2C(=O)Nc2c(C)cccc2[O-])c1 ZINC000183029982 374357252 /nfs/dbraw/zinc/35/72/52/374357252.db2.gz KYKTXZVLQNWNEJ-GJZGRUSLSA-N -1 3 297.354 3.451 20 0 CGADHM O=C([N-]c1ccsc1)c1noc(-c2cccc(F)c2)n1 ZINC000081411006 541924882 /nfs/dbraw/zinc/92/48/82/541924882.db2.gz ZSLZZXYETUGTIY-UHFFFAOYSA-N -1 3 289.291 3.190 20 0 CGADHM COCCN(Cc1cccc([O-])c1Cl)CC(C)C ZINC000328208458 374360181 /nfs/dbraw/zinc/36/01/81/374360181.db2.gz HXILFOWRVUXYDS-UHFFFAOYSA-N -1 3 271.788 3.150 20 0 CGADHM C[C@H]1CC(C(=O)Nc2nnc(-c3ccco3)[n-]2)C[C@H](C)C1 ZINC000183081650 374369743 /nfs/dbraw/zinc/36/97/43/374369743.db2.gz RRKOAWZIYWBUQH-NXEZZACHSA-N -1 3 288.351 3.076 20 0 CGADHM C[C@H]1CC(C(=O)Nc2nc(-c3ccco3)n[n-]2)C[C@H](C)C1 ZINC000183081650 374369748 /nfs/dbraw/zinc/36/97/48/374369748.db2.gz RRKOAWZIYWBUQH-NXEZZACHSA-N -1 3 288.351 3.076 20 0 CGADHM C[C@H]1CC(C(=O)Nc2n[n-]c(-c3ccco3)n2)C[C@H](C)C1 ZINC000183081650 374369752 /nfs/dbraw/zinc/36/97/52/374369752.db2.gz RRKOAWZIYWBUQH-NXEZZACHSA-N -1 3 288.351 3.076 20 0 CGADHM O=c1[n-]c(-c2ccc(Cl)cn2)nc2cccc(F)c12 ZINC000086963760 541941745 /nfs/dbraw/zinc/94/17/45/541941745.db2.gz FBSCSLIQBVSDKY-UHFFFAOYSA-N -1 3 275.670 3.190 20 0 CGADHM O=C(CCCC1CCOCC1)Nc1ccc([O-])cc1F ZINC000330399539 374458752 /nfs/dbraw/zinc/45/87/52/374458752.db2.gz UBHKLQVZJROFCL-UHFFFAOYSA-N -1 3 281.327 3.067 20 0 CGADHM O=[S@@](Cc1csc(C2CC2)n1)c1cccc([O-])c1 ZINC000184031784 374484424 /nfs/dbraw/zinc/48/44/24/374484424.db2.gz FWEHBIYJHVLTAD-SFHVURJKSA-N -1 3 279.386 3.034 20 0 CGADHM O=[S@@](Cc1ccccc1Cl)c1cccc([O-])c1 ZINC000184056197 374487615 /nfs/dbraw/zinc/48/76/15/374487615.db2.gz BDCFSBDOICTWKU-KRWDZBQOSA-N -1 3 266.749 3.353 20 0 CGADHM O=C(c1ccc2c(c1[O-])CCCC2)N1CCCC2(CC2)C1 ZINC000184124966 374494856 /nfs/dbraw/zinc/49/48/56/374494856.db2.gz SYSSYSLNDWAWHL-UHFFFAOYSA-N -1 3 285.387 3.287 20 0 CGADHM COc1ccc(F)c(NCc2cc([O-])cc(F)c2)c1 ZINC000184143701 374497209 /nfs/dbraw/zinc/49/72/09/374497209.db2.gz CANHBFRBUXMREN-UHFFFAOYSA-N -1 3 265.259 3.291 20 0 CGADHM Cc1ccc(C2CCN(C(=O)c3ccccc3[O-])CC2)cn1 ZINC000334377155 374696235 /nfs/dbraw/zinc/69/62/35/374696235.db2.gz FOLFAPAAYPXBOH-UHFFFAOYSA-N -1 3 296.370 3.115 20 0 CGADHM C[C@H](CC(F)(F)F)C(=O)Nc1cc(F)ccc1[O-] ZINC000457678452 374658642 /nfs/dbraw/zinc/65/86/42/374658642.db2.gz ULNYVDMKXLCWCB-ZCFIWIBFSA-N -1 3 265.206 3.058 20 0 CGADHM CC(C)[C@]1(C)C[C@@H]1NC(=O)Cc1ccc([O-])cc1Cl ZINC000458106953 374688852 /nfs/dbraw/zinc/68/88/52/374688852.db2.gz DPBBUVJJBLUYIS-ZFWWWQNUSA-N -1 3 281.783 3.139 20 0 CGADHM O=C(Nc1cccc([O-])c1F)c1ccnn1C1CCCC1 ZINC000334440735 374753672 /nfs/dbraw/zinc/75/36/72/374753672.db2.gz XXWLPRFWUIFUSV-UHFFFAOYSA-N -1 3 289.310 3.095 20 0 CGADHM Cc1ccc([C@@H]2COCCN2Cc2cc([O-])cc(F)c2)o1 ZINC000186231330 374818490 /nfs/dbraw/zinc/81/84/90/374818490.db2.gz KOFJBUSYTGEIKU-HNNXBMFYSA-N -1 3 291.322 3.006 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2[C@@H](C)CCC[C@@H]2C)c1 ZINC000094106938 541984364 /nfs/dbraw/zinc/98/43/64/541984364.db2.gz OEISGQYMEOVHPW-RYUDHWBXSA-N -1 3 261.365 3.358 20 0 CGADHM C[C@@H]1CCN(C(=O)CCc2ccccn2)c2c([O-])cccc21 ZINC000186258166 374822824 /nfs/dbraw/zinc/82/28/24/374822824.db2.gz KGWIQRHVPGUDIU-CYBMUJFWSA-N -1 3 296.370 3.260 20 0 CGADHM Cc1cccc2c(=O)c(C(=O)N3CCCC4(CC4)C3)c[n-]c12 ZINC000186056225 374791660 /nfs/dbraw/zinc/79/16/60/374791660.db2.gz RRXKLJBFRXRXKS-UHFFFAOYSA-N -1 3 296.370 3.265 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2cnn([C@@H](C)C3CC3)c2)c1 ZINC000186368333 374839528 /nfs/dbraw/zinc/83/95/28/374839528.db2.gz NTASMSZVYWBJHB-NSHDSACASA-N -1 3 285.347 3.120 20 0 CGADHM Cc1cc(C(=O)[N-]c2nc(Cc3ccccc3)ns2)co1 ZINC000186727258 374906691 /nfs/dbraw/zinc/90/66/91/374906691.db2.gz NTXUUOQMBGFVMM-UHFFFAOYSA-N -1 3 299.355 3.283 20 0 CGADHM Cc1ccc(C(=O)Nc2cc(F)ccc2[O-])c(C2CC2)n1 ZINC000334728974 375011862 /nfs/dbraw/zinc/01/18/62/375011862.db2.gz VWAZNXARFJJJLY-UHFFFAOYSA-N -1 3 286.306 3.364 20 0 CGADHM COc1cccc(C(=O)N2CC[C@H](C3CCCC3)C2)c1[O-] ZINC000335020757 375075542 /nfs/dbraw/zinc/07/55/42/375075542.db2.gz FRZBARLDQNAVHJ-ZDUSSCGKSA-N -1 3 289.375 3.053 20 0 CGADHM C[C@H]1CN(C(=O)c2cc(C(F)(F)F)n[n-]2)c2ccccc21 ZINC000335069911 375105241 /nfs/dbraw/zinc/10/52/41/375105241.db2.gz UMJWIUUITJXZOH-QMMMGPOBSA-N -1 3 295.264 3.192 20 0 CGADHM C[C@H]1CN(C(=O)c2cc(C(F)(F)F)[n-]n2)c2ccccc21 ZINC000335069911 375105246 /nfs/dbraw/zinc/10/52/46/375105246.db2.gz UMJWIUUITJXZOH-QMMMGPOBSA-N -1 3 295.264 3.192 20 0 CGADHM Cc1ccc(C(=O)Nc2ccc([O-])cc2F)c(C2CC2)n1 ZINC000335145547 375171529 /nfs/dbraw/zinc/17/15/29/375171529.db2.gz BQHXGBLNZWPHSC-UHFFFAOYSA-N -1 3 286.306 3.364 20 0 CGADHM CCc1cc(C(=O)Nc2nc3cc(F)ccc3[nH]2)ccc1[O-] ZINC000487501149 375245069 /nfs/dbraw/zinc/24/50/69/375245069.db2.gz OIHUQSUPLGUSJQ-UHFFFAOYSA-N -1 3 299.305 3.222 20 0 CGADHM Cc1cccc(NC(=O)c2n[n-]nc2-c2ccccc2)c1C ZINC000188389291 375208623 /nfs/dbraw/zinc/20/86/23/375208623.db2.gz ACDFNHLCXGYCOS-UHFFFAOYSA-N -1 3 292.342 3.341 20 0 CGADHM [O-]c1cccc(CN2CCC[C@@H]2[C@@H]2CCCOC2)c1Cl ZINC000335425283 375283865 /nfs/dbraw/zinc/28/38/65/375283865.db2.gz QZYYAWQDRCTPME-ZIAGYGMSSA-N -1 3 295.810 3.437 20 0 CGADHM CCc1cc(C(=O)N(C)[C@@H]2CC[C@@H](C)C2)ccc1[O-] ZINC000487653166 375264924 /nfs/dbraw/zinc/26/49/24/375264924.db2.gz KEANHUBWUWPOJI-BXUZGUMPSA-N -1 3 261.365 3.215 20 0 CGADHM O=C(Nc1cccc([O-])c1F)c1csc(Cl)c1 ZINC000188760010 375265940 /nfs/dbraw/zinc/26/59/40/375265940.db2.gz BHMIGDGJPZZZCP-UHFFFAOYSA-N -1 3 271.700 3.499 20 0 CGADHM O=C(NC[C@@H]1CCCC1(F)F)c1cc([O-])ccc1Cl ZINC000335414661 375274274 /nfs/dbraw/zinc/27/42/74/375274274.db2.gz CJMJZDZDWNUYTB-QMMMGPOBSA-N -1 3 289.709 3.211 20 0 CGADHM O=C(NC1(c2ccccc2)CC1)c1cc([O-])ccc1Cl ZINC000335913391 375535876 /nfs/dbraw/zinc/53/58/76/375535876.db2.gz UIKLFEKMKZLHRY-UHFFFAOYSA-N -1 3 287.746 3.465 20 0 CGADHM CSc1cccc(NC(=O)[N-]c2cnns2)c1C ZINC000335849266 375481857 /nfs/dbraw/zinc/48/18/57/375481857.db2.gz SAFCODZNIJRTBJ-UHFFFAOYSA-N -1 3 280.378 3.212 20 0 CGADHM C[C@H]1CCC[C@H](NC(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC000190582316 375522450 /nfs/dbraw/zinc/52/24/50/375522450.db2.gz GLJIQEQMPZHQJO-AAEUAGOBSA-N -1 3 294.370 3.299 20 0 CGADHM O=C(Nc1ccc([O-])cc1F)[C@H]1C[C@H]1c1ccc(F)cc1 ZINC000335959774 375572787 /nfs/dbraw/zinc/57/27/87/375572787.db2.gz DRXRQCYOUVRIEU-STQMWFEESA-N -1 3 289.281 3.413 20 0 CGADHM NC(=O)[C@H]1CCC[C@@H](C(=O)Nc2ccc(Cl)cc2[O-])C1 ZINC000336043553 375643554 /nfs/dbraw/zinc/64/35/54/375643554.db2.gz LZHALRCZTFMWSM-DTWKUNHWSA-N -1 3 296.754 3.326 20 0 CGADHM CC(C)CC1(C)CCN(C(=O)c2csc(=O)[n-]2)CC1 ZINC000336108248 375691384 /nfs/dbraw/zinc/69/13/84/375691384.db2.gz NVCJIICQBUOPHP-UHFFFAOYSA-N -1 3 282.409 3.137 20 0 CGADHM COc1cc(C(=O)N2Cc3ccccc3[C@H]2C)ccc1[O-] ZINC000336171619 375747209 /nfs/dbraw/zinc/74/72/09/375747209.db2.gz QELUHTWMUAWAPX-LLVKDONJSA-N -1 3 283.327 3.118 20 0 CGADHM Cc1cc[nH]c1C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000336152172 375729472 /nfs/dbraw/zinc/72/94/72/375729472.db2.gz BLCNNFSRFGGITQ-UHFFFAOYSA-N -1 3 284.237 3.300 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N(C)CC2CCCCC2)n1 ZINC000192524642 375760522 /nfs/dbraw/zinc/76/05/22/375760522.db2.gz KKTNWHJWQSWVKS-LBPRGKRZSA-N -1 3 263.385 3.064 20 0 CGADHM CC[C@H]1C[C@@H](C)CN1C(=O)Cc1ccc([O-])cc1Cl ZINC000509127427 375773258 /nfs/dbraw/zinc/77/32/58/375773258.db2.gz WGNNALPCNQMWAH-PWSUYJOCSA-N -1 3 281.783 3.235 20 0 CGADHM CCc1noc(C)c1C(=O)[N-]c1cc(F)c(F)cc1F ZINC000336329143 375777735 /nfs/dbraw/zinc/77/77/35/375777735.db2.gz IZZWCAXAPMOXCJ-UHFFFAOYSA-N -1 3 284.237 3.215 20 0 CGADHM C[C@H](CC(=O)Nc1cccc([O-])c1F)c1ccncc1 ZINC000129605180 542057125 /nfs/dbraw/zinc/05/71/25/542057125.db2.gz DSXDKCICCCVMLF-SNVBAGLBSA-N -1 3 274.295 3.059 20 0 CGADHM Cc1cccc(C(=O)NCc2nccc3ccccc32)c1[O-] ZINC000192986347 375811955 /nfs/dbraw/zinc/81/19/55/375811955.db2.gz HESUNELKDWQOTD-UHFFFAOYSA-N -1 3 292.338 3.179 20 0 CGADHM C[C@@H]1C[C@H]1c1ccc(CN(CC2(C(=O)[O-])CC2)C2CC2)o1 ZINC000518546297 375829946 /nfs/dbraw/zinc/82/99/46/375829946.db2.gz DOTFEDSUQKPDOD-BXUZGUMPSA-N -1 3 289.375 3.232 20 0 CGADHM CCCN(CC)Cc1cc(C(=O)[O-])ccc1Cl ZINC000519547939 375844369 /nfs/dbraw/zinc/84/43/69/375844369.db2.gz NOFQHMIQNCDQLK-UHFFFAOYSA-N -1 3 255.745 3.270 20 0 CGADHM CCc1ccc([O-])c(C(=O)N(CC)Cc2ccoc2)c1 ZINC000130931547 542066550 /nfs/dbraw/zinc/06/65/50/542066550.db2.gz QBXXKERHLXVIHJ-UHFFFAOYSA-N -1 3 273.332 3.210 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CCc3cccc(F)c32)c1 ZINC000536715065 376126348 /nfs/dbraw/zinc/12/63/48/376126348.db2.gz QJHDASIHWDTULI-UHFFFAOYSA-N -1 3 285.318 3.297 20 0 CGADHM CCc1cccc(C(=O)N2CCC[C@H]2C(C)C)c1[O-] ZINC000538743828 376267620 /nfs/dbraw/zinc/26/76/20/376267620.db2.gz OLNCPAGLEAXAQI-AWEZNQCLSA-N -1 3 261.365 3.215 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2ccc(-c3c[nH]cn3)cc2)c1 ZINC000539851112 376341920 /nfs/dbraw/zinc/34/19/20/376341920.db2.gz ZGXLYVATEFROLT-UHFFFAOYSA-N -1 3 293.326 3.343 20 0 CGADHM CC1(C)CC[C@@H](C(=O)N2CCCc3cccc([O-])c32)C1 ZINC000541063562 376419105 /nfs/dbraw/zinc/41/91/05/376419105.db2.gz BNRNBEYAGMAWEP-CYBMUJFWSA-N -1 3 273.376 3.498 20 0 CGADHM Cc1ccsc1CCNC(=O)c1cc(C)ccc1[O-] ZINC000540197775 376366212 /nfs/dbraw/zinc/36/62/12/376366212.db2.gz HVZCOAIOWXUQQV-UHFFFAOYSA-N -1 3 275.373 3.043 20 0 CGADHM COc1cccc(Cl)c1CN1CCC[C@H](CC(=O)[O-])C1 ZINC000228804997 376449692 /nfs/dbraw/zinc/44/96/92/376449692.db2.gz PQNKNJABGGXQAV-LLVKDONJSA-N -1 3 297.782 3.035 20 0 CGADHM CCC(C)(C)N(C)C(=O)c1cc([O-])ccc1Cl ZINC000233066123 376594739 /nfs/dbraw/zinc/59/47/39/376594739.db2.gz NMMSRUJNITVAOZ-UHFFFAOYSA-N -1 3 255.745 3.306 20 0 CGADHM CCN(Cc1ccncc1)C(=O)c1cc([O-])ccc1Cl ZINC000233470850 376596717 /nfs/dbraw/zinc/59/67/17/376596717.db2.gz IIJAFXARAKDFGU-UHFFFAOYSA-N -1 3 290.750 3.103 20 0 CGADHM CCCN(Cc1ccc(C)cc1)C(=O)c1ccc(O)cc1[O-] ZINC000542818849 376583703 /nfs/dbraw/zinc/58/37/03/376583703.db2.gz DZIDZUVKPGZTPC-UHFFFAOYSA-N -1 3 299.370 3.459 20 0 CGADHM CC1(C)C(CNC(=O)c2cc([O-])ccc2Cl)C1(C)C ZINC000232775233 376588050 /nfs/dbraw/zinc/58/80/50/376588050.db2.gz VSZZSCZLAPFAEF-UHFFFAOYSA-N -1 3 281.783 3.458 20 0 CGADHM CN(C)c1ccccc1NC(=O)c1cc([O-])ccc1Cl ZINC000234258338 376612657 /nfs/dbraw/zinc/61/26/57/376612657.db2.gz QLEKZRPAODHJSC-UHFFFAOYSA-N -1 3 290.750 3.364 20 0 CGADHM CN(C(=O)c1cc([O-])ccc1Cl)C1CCCC1 ZINC000234276420 376615866 /nfs/dbraw/zinc/61/58/66/376615866.db2.gz NXJQKSZRMXVOME-UHFFFAOYSA-N -1 3 253.729 3.060 20 0 CGADHM CSCC[C@H](C)N(C)C(=O)c1cc([O-])ccc1Cl ZINC000235051433 376629875 /nfs/dbraw/zinc/62/98/75/376629875.db2.gz AAHRPMRVPCLZBZ-VIFPVBQESA-N -1 3 287.812 3.259 20 0 CGADHM C[C@@H](CNC(=O)c1cc([O-])ccc1Cl)c1nccs1 ZINC000235171161 376631659 /nfs/dbraw/zinc/63/16/59/376631659.db2.gz RCVSQCYOWPRCCS-QMMMGPOBSA-N -1 3 296.779 3.036 20 0 CGADHM C[C@@H]1[C@@H](C)CCCN1C(=O)c1cc([O-])ccc1Cl ZINC000235616931 376646006 /nfs/dbraw/zinc/64/60/06/376646006.db2.gz PHOKLWAPLYGDKZ-VHSXEESVSA-N -1 3 267.756 3.306 20 0 CGADHM O=C(NCc1cc2c(s1)CCCC2)c1cccc([O-])c1 ZINC000543746462 376673625 /nfs/dbraw/zinc/67/36/25/376673625.db2.gz OZPZCNSOQYOHGM-UHFFFAOYSA-N -1 3 287.384 3.263 20 0 CGADHM COc1ccc(NC(=O)C(C)(C)c2cccs2)c([O-])c1 ZINC000135456773 542087287 /nfs/dbraw/zinc/08/72/87/542087287.db2.gz WCLRJAXXVXRCQZ-UHFFFAOYSA-N -1 3 291.372 3.379 20 0 CGADHM C[C@H](C[C@H]1CCCO1)NCc1cccc([O-])c1Cl ZINC000339215136 376736330 /nfs/dbraw/zinc/73/63/30/376736330.db2.gz QJUNEYVSCUCJNH-ZYHUDNBSSA-N -1 3 269.772 3.093 20 0 CGADHM C[C@H](Cc1ccc(Cl)cc1)C(=O)Nc1ncccc1[O-] ZINC000339656834 376788206 /nfs/dbraw/zinc/78/82/06/376788206.db2.gz HMMXINFSYDCCGU-SNVBAGLBSA-N -1 3 290.750 3.258 20 0 CGADHM CCn1c2ccc(C)cc2nc1NCc1nc(C)ccc1[O-] ZINC000159034276 542145594 /nfs/dbraw/zinc/14/55/94/542145594.db2.gz DVLXPARKBHUWCC-UHFFFAOYSA-N -1 3 296.374 3.386 20 0 CGADHM Cc1nc2cc(NCc3cc([O-])cc(F)c3)ccc2n1C ZINC000545315437 376812685 /nfs/dbraw/zinc/81/26/85/376812685.db2.gz QNBDFFMIVQWDJE-UHFFFAOYSA-N -1 3 285.322 3.339 20 0 CGADHM CSc1nnc(NC(=O)C[C@@H](C)C2CCCCC2)[n-]1 ZINC000340270030 376971546 /nfs/dbraw/zinc/97/15/46/376971546.db2.gz ZGXXJFUXFRGPEF-SECBINFHSA-N -1 3 282.413 3.072 20 0 CGADHM CSc1n[n-]c(NC(=O)C[C@@H](C)C2CCCCC2)n1 ZINC000340270030 376971552 /nfs/dbraw/zinc/97/15/52/376971552.db2.gz ZGXXJFUXFRGPEF-SECBINFHSA-N -1 3 282.413 3.072 20 0 CGADHM CSc1nc(NC(=O)C[C@@H](C)C2CCCCC2)n[n-]1 ZINC000340270030 376971558 /nfs/dbraw/zinc/97/15/58/376971558.db2.gz ZGXXJFUXFRGPEF-SECBINFHSA-N -1 3 282.413 3.072 20 0 CGADHM O=C(Nc1cccc(Cl)c1[O-])c1cccc2[nH]ncc21 ZINC000340319228 376999842 /nfs/dbraw/zinc/99/98/42/376999842.db2.gz IQJQQBLTQNIJHV-UHFFFAOYSA-N -1 3 287.706 3.174 20 0 CGADHM C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1cc(F)ccc1[O-] ZINC000340328488 377005624 /nfs/dbraw/zinc/00/56/24/377005624.db2.gz CAZGWDMLUWMIAY-SECBINFHSA-N -1 3 293.269 3.076 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC000340333353 377009716 /nfs/dbraw/zinc/00/97/16/377009716.db2.gz YEJNONMCWAUZHD-CHWSQXEVSA-N -1 3 289.281 3.413 20 0 CGADHM Cc1ccoc1C(=O)Nc1c([O-])cccc1Cl ZINC000560820654 377193573 /nfs/dbraw/zinc/19/35/73/377193573.db2.gz IPBLPMQKAHCVTK-UHFFFAOYSA-N -1 3 251.669 3.199 20 0 CGADHM [O-]c1ccc(F)c(CN2CCC[C@@H]2c2ccccn2)c1F ZINC000560445343 377150517 /nfs/dbraw/zinc/15/05/17/377150517.db2.gz BPTKVOIUWWCVLL-CQSZACIVSA-N -1 3 290.313 3.403 20 0 CGADHM CCC(CC)(NCc1cc2ccccc2o1)C(=O)[O-] ZINC000340683775 377213187 /nfs/dbraw/zinc/21/31/87/377213187.db2.gz QPKIFMWQTDFGFL-UHFFFAOYSA-N -1 3 261.321 3.166 20 0 CGADHM CCO[N-]C(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1Cl ZINC000264821124 190136661 /nfs/dbraw/zinc/13/66/61/190136661.db2.gz XRNJBDULDKPQIT-BDAKNGLRSA-N -1 3 274.147 3.165 20 0 CGADHM O=C([O-])C[C@H]1CCCN(C/C=C/c2ccc(F)cc2)C1 ZINC000560927941 377199885 /nfs/dbraw/zinc/19/98/85/377199885.db2.gz SKWVEDFYQLQJIB-XYHHVPKHSA-N -1 3 277.339 3.026 20 0 CGADHM C[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C2CC2)c2c([O-])cccc21 ZINC000248728926 377388792 /nfs/dbraw/zinc/38/87/92/377388792.db2.gz NWPAGKOEBJUEHA-SWHYSGLUSA-N -1 3 271.360 3.279 20 0 CGADHM Cc1oc(CN(C)CCCc2ccccc2)cc1C(=O)[O-] ZINC000563278805 377432868 /nfs/dbraw/zinc/43/28/68/377432868.db2.gz WCMRDBISAZOVCU-UHFFFAOYSA-N -1 3 287.359 3.351 20 0 CGADHM Cc1c2ccccc2nc(CN(C)[C@@H]2CC2(C)C)c1C(=O)[O-] ZINC000563282721 377434483 /nfs/dbraw/zinc/43/44/83/377434483.db2.gz LLEJUGJDMRCCHG-OAHLLOKOSA-N -1 3 298.386 3.472 20 0 CGADHM O=C(c1ccccc1[O-])N(CCC(F)(F)F)CC1CC1 ZINC000175368943 296262265 /nfs/dbraw/zinc/26/22/65/296262265.db2.gz NRFCWPYOVPXMSA-UHFFFAOYSA-N -1 3 287.281 3.197 20 0 CGADHM O=c1cc(CNc2cc(F)c(F)c(F)c2)nc(C2CC2)[n-]1 ZINC000417033489 249124983 /nfs/dbraw/zinc/12/49/83/249124983.db2.gz QLURHQALBGVTHW-UHFFFAOYSA-N -1 3 295.264 3.089 20 0 CGADHM C[C@H](CC1CC1)NCc1cccc([O-])c1Br ZINC000314997042 249098515 /nfs/dbraw/zinc/09/85/15/249098515.db2.gz HGLSOPXWHVMDIB-SECBINFHSA-N -1 3 284.197 3.433 20 0 CGADHM [O-]c1cccc(CNCCC(F)(F)F)c1Br ZINC000315301828 249099356 /nfs/dbraw/zinc/09/93/56/249099356.db2.gz YCUJHDOLCRFSLF-UHFFFAOYSA-N -1 3 298.102 3.197 20 0 CGADHM CC(C)(C)CCCc1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000518865793 249288571 /nfs/dbraw/zinc/28/85/71/249288571.db2.gz KCWJGZAWBAXKCW-UHFFFAOYSA-N -1 3 285.351 3.377 20 0 CGADHM Cc1cc(C(=O)NCC(C)(C)C(F)(F)F)ccc1[O-] ZINC000574341068 377652787 /nfs/dbraw/zinc/65/27/87/377652787.db2.gz JTMFJNXZXZOXAH-UHFFFAOYSA-N -1 3 275.270 3.019 20 0 CGADHM Cc1ccc2[n-]cc(C(=O)N3CCCC[C@@H](C)C3)c(=O)c2c1 ZINC000342572867 377666929 /nfs/dbraw/zinc/66/69/29/377666929.db2.gz RQKMMFZXRHQAIB-CYBMUJFWSA-N -1 3 298.386 3.099 20 0 CGADHM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C/C=C/c1ccc(F)c(F)c1 ZINC000263364773 377929577 /nfs/dbraw/zinc/92/95/77/377929577.db2.gz SVMWICXILSTSNH-FTYDKLPRSA-N -1 3 295.329 3.163 20 0 CGADHM O=C([O-])[C@H]1CCCCN1CCCc1c(F)cccc1Cl ZINC000263406402 377934032 /nfs/dbraw/zinc/93/40/32/377934032.db2.gz JZAQEJCOHLPJRK-CQSZACIVSA-N -1 3 299.773 3.351 20 0 CGADHM Cc1ccc(C(C)(C)NCc2ccc(C(=O)[O-])cc2)cn1 ZINC000263445135 377937777 /nfs/dbraw/zinc/93/77/77/377937777.db2.gz XPPJKKVWIGAMGN-UHFFFAOYSA-N -1 3 284.359 3.113 20 0 CGADHM CC[C@H](C)[C@H](C)N(C(=O)c1ccccc1[O-])C1CC1 ZINC000264231225 377967062 /nfs/dbraw/zinc/96/70/62/377967062.db2.gz BEGRIGGFLSLEKZ-RYUDHWBXSA-N -1 3 261.365 3.431 20 0 CGADHM Cc1c(C(=O)[N-]c2nncs2)sc2nccc(C)c12 ZINC000343496320 377996488 /nfs/dbraw/zinc/99/64/88/377996488.db2.gz PVVVMBQSGMJXAS-UHFFFAOYSA-N -1 3 290.373 3.017 20 0 CGADHM Cc1noc([N-]C(=O)[C@@H](C)OC2CCCCCC2)c1C ZINC000268700782 378092660 /nfs/dbraw/zinc/09/26/60/378092660.db2.gz UYPCOOALQQCTDL-GFCCVEGCSA-N -1 3 280.368 3.358 20 0 CGADHM O=C([O-])CCN1Cc2ccccc2C[C@H]1c1ccccc1 ZINC000579669802 378181283 /nfs/dbraw/zinc/18/12/83/378181283.db2.gz IFUXCMJYLGATBD-KRWDZBQOSA-N -1 3 281.355 3.261 20 0 CGADHM CC[C@@H](C(=O)Nc1ccc([O-])c(Cl)c1)N(CC)CC ZINC000269657816 378249838 /nfs/dbraw/zinc/24/98/38/378249838.db2.gz SIIVVKUCMFSPFB-LBPRGKRZSA-N -1 3 284.787 3.105 20 0 CGADHM C[C@@H]1c2ccc(F)cc2C[C@H](C)N1CC1(CC(=O)[O-])CC1 ZINC000583570262 378332367 /nfs/dbraw/zinc/33/23/67/378332367.db2.gz JLWMOTPUFXWSHM-NWDGAFQWSA-N -1 3 291.366 3.388 20 0 CGADHM CCc1onc(C)c1[N-]C(=O)c1ccc(C(F)(F)F)cn1 ZINC000270417386 378348615 /nfs/dbraw/zinc/34/86/15/378348615.db2.gz NECPNYMMJXRLAG-UHFFFAOYSA-N -1 3 299.252 3.212 20 0 CGADHM CC[C@H]1CCN([C@H](C(=O)[O-])c2c(F)cccc2Cl)C1 ZINC000583817812 378350804 /nfs/dbraw/zinc/35/08/04/378350804.db2.gz BZMMKBUNDFYIOP-ZANVPECISA-N -1 3 285.746 3.337 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2ccc(OC3CCC3)cc2)n1 ZINC000345937838 378414284 /nfs/dbraw/zinc/41/42/84/378414284.db2.gz WOFGISSIZZVZMQ-UHFFFAOYSA-N -1 3 298.342 3.279 20 0 CGADHM CC[C@H]1CC[C@@H](C)N1C(=O)c1c[n-]c2ccccc2c1=O ZINC000271395824 378492101 /nfs/dbraw/zinc/49/21/01/378492101.db2.gz LZIFYWSKDQJHTG-NEPJUHHUSA-N -1 3 284.359 3.344 20 0 CGADHM O=C(c1cccc([O-])c1)N(CC1CCC1)CC(F)(F)F ZINC000272806073 378706886 /nfs/dbraw/zinc/70/68/86/378706886.db2.gz ZKSZSDNAUAAFEO-UHFFFAOYSA-N -1 3 287.281 3.197 20 0 CGADHM CC[C@H](NCc1cnc(C)[n-]c1=O)c1ccc(Cl)cc1 ZINC000346801203 218018426 /nfs/dbraw/zinc/01/84/26/218018426.db2.gz RRYSACMZBYQUKG-AWEZNQCLSA-N -1 3 291.782 3.385 20 0 CGADHM CCC1(CC)CN(C(=O)c2cccc([O-])c2)CCS1 ZINC000274478280 378839213 /nfs/dbraw/zinc/83/92/13/378839213.db2.gz ZRRYBQHQZPORSC-UHFFFAOYSA-N -1 3 279.405 3.140 20 0 CGADHM O=C([O-])CCCCCNCc1cccc(Cl)c1F ZINC000277002626 379041287 /nfs/dbraw/zinc/04/12/87/379041287.db2.gz LLRMOZCSRCJFBJ-UHFFFAOYSA-N -1 3 273.735 3.214 20 0 CGADHM Cc1ccc(C)c(CNCc2ccccc2CC(=O)[O-])c1 ZINC000276955479 379029684 /nfs/dbraw/zinc/02/96/84/379029684.db2.gz FFPZEVIZUKEYIM-UHFFFAOYSA-N -1 3 283.371 3.220 20 0 CGADHM Cc1cc(C)cc(CNCc2ccccc2CC(=O)[O-])c1 ZINC000277046979 379053953 /nfs/dbraw/zinc/05/39/53/379053953.db2.gz RPWAYZVRJWPUKI-UHFFFAOYSA-N -1 3 283.371 3.220 20 0 CGADHM FC(F)(F)c1cnc(C[N-]c2nc(C3CC3)no2)s1 ZINC000278706070 194114433 /nfs/dbraw/zinc/11/44/33/194114433.db2.gz JTZUJCAZRZPQNS-UHFFFAOYSA-N -1 3 290.270 3.034 20 0 CGADHM CC(C)[C@H](c1ccccc1)N(C)C(=O)c1csc(=O)[n-]1 ZINC000348900398 379103669 /nfs/dbraw/zinc/10/36/69/379103669.db2.gz MUWOHSGIBHLTRH-CYBMUJFWSA-N -1 3 290.388 3.318 20 0 CGADHM CC[C@@H]1OCCC[C@H]1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000277259069 379111603 /nfs/dbraw/zinc/11/16/03/379111603.db2.gz FWZKCFVUAOSZCX-MFKMUULPSA-N -1 3 283.755 3.189 20 0 CGADHM Cc1cccc(C(=O)N2CC[C@@H](CC(F)(F)F)C2)c1[O-] ZINC000277423938 379156730 /nfs/dbraw/zinc/15/67/30/379156730.db2.gz LXFOWBJTSYJMMC-JTQLQIEISA-N -1 3 287.281 3.115 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CC(Cc3ccccc3)C2)c1 ZINC000373136615 379229955 /nfs/dbraw/zinc/22/99/55/379229955.db2.gz DCVIIENDBOPESW-UHFFFAOYSA-N -1 3 281.355 3.015 20 0 CGADHM COC[C@H](NCc1cc([O-])cc(F)c1)c1ccc(F)cc1 ZINC000349694126 379347243 /nfs/dbraw/zinc/34/72/43/379347243.db2.gz BFOVFLQPMFVSRD-INIZCTEOSA-N -1 3 293.313 3.148 20 0 CGADHM CCSCC[C@H](C)N(C)C(=O)c1ccc(OC)cc1[O-] ZINC000266616430 190271875 /nfs/dbraw/zinc/27/18/75/190271875.db2.gz DSPVGZIDDNPAGY-NSHDSACASA-N -1 3 297.420 3.005 20 0 CGADHM Cc1cccc(CN(C)Cc2nc(C)ccc2[O-])c1 ZINC000349707781 379353234 /nfs/dbraw/zinc/35/32/34/379353234.db2.gz QFHKPKWQGGVGJE-UHFFFAOYSA-N -1 3 256.349 3.036 20 0 CGADHM C[C@H]1C[C@H](C)CN(Cc2c(F)ccc([O-])c2F)C1 ZINC000350148531 379519528 /nfs/dbraw/zinc/51/95/28/379519528.db2.gz RWRAWPCEWBIBJV-UWVGGRQHSA-N -1 3 255.308 3.148 20 0 CGADHM CC(=O)c1ccc(-c2nc(-c3ccc([O-])cc3)no2)s1 ZINC000350567270 379561760 /nfs/dbraw/zinc/56/17/60/379561760.db2.gz HIAFXOIHPJGDJY-UHFFFAOYSA-N -1 3 286.312 3.373 20 0 CGADHM CCC[C@@H]1C[C@H]1NC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000280189682 379635453 /nfs/dbraw/zinc/63/54/53/379635453.db2.gz QAKSMTJEBWQGLK-PRHODGIISA-N -1 3 287.281 3.329 20 0 CGADHM Cc1ccc(C(=O)Nc2cn(C)nc2C(C)C)c([O-])c1C ZINC000280279669 379662820 /nfs/dbraw/zinc/66/28/20/379662820.db2.gz SDTMGIJGXNFZDV-UHFFFAOYSA-N -1 3 287.363 3.118 20 0 CGADHM Cc1nocc1[N-]C(=O)c1cnn(CC(C)C)c1C(F)F ZINC000640484565 379810005 /nfs/dbraw/zinc/81/00/05/379810005.db2.gz WDHVOWSWOPNLES-UHFFFAOYSA-N -1 3 298.293 3.025 20 0 CGADHM Cc1csc(CNc2c(C(=O)[O-])cnc3ccccc32)c1 ZINC000379159220 379860431 /nfs/dbraw/zinc/86/04/31/379860431.db2.gz XQAQVGUJSBIUFZ-UHFFFAOYSA-N -1 3 298.367 3.337 20 0 CGADHM CC1(C)CC[C@H](NCc2c(F)ccc([O-])c2F)C1 ZINC000352702676 379917102 /nfs/dbraw/zinc/91/71/02/379917102.db2.gz ALGHMDXCXYHJRA-VIFPVBQESA-N -1 3 255.308 3.339 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)[C@H]2C[C@H]2C)c1-c1ccc(Cl)cc1 ZINC000641247626 379979799 /nfs/dbraw/zinc/97/97/99/379979799.db2.gz DEIRVEOKQHOQHK-PELKAZGASA-N -1 3 289.766 3.055 20 0 CGADHM C[C@H](CN(C)Cc1ccc(C(=O)[O-])o1)C(C)(C)C ZINC000399557116 379941564 /nfs/dbraw/zinc/94/15/64/379941564.db2.gz FGCSXKGLQHIPHC-SNVBAGLBSA-N -1 3 253.342 3.092 20 0 CGADHM CC(=O)c1ccc(C(=O)N2CCCC(C)(C)CC2)cc1[O-] ZINC000408464748 380014847 /nfs/dbraw/zinc/01/48/47/380014847.db2.gz HFQZARYZYRPUFG-UHFFFAOYSA-N -1 3 289.375 3.247 20 0 CGADHM CC/C=C/CCN(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC000571530730 322301076 /nfs/dbraw/zinc/30/10/76/322301076.db2.gz YACJDVIFJJKBGJ-AATRIKPKSA-N -1 3 251.326 3.074 20 0 CGADHM [O-]c1ccc(F)c(CN(CCO)CC2CCCCC2)c1F ZINC000352959551 380056399 /nfs/dbraw/zinc/05/63/99/380056399.db2.gz VYVFPNFVUABJLL-UHFFFAOYSA-N -1 3 299.361 3.045 20 0 CGADHM CC(C)C[C@H](C)OCCc1nc(-c2ccc([O-])cc2)no1 ZINC000268016129 190369938 /nfs/dbraw/zinc/36/99/38/190369938.db2.gz BYHLKSODFVSFNW-LBPRGKRZSA-N -1 3 290.363 3.436 20 0 CGADHM COc1cc(C(=O)NC2(c3ccccc3)CCC2)ccc1[O-] ZINC000268095833 190376233 /nfs/dbraw/zinc/37/62/33/190376233.db2.gz VJKIALFVYAZIII-UHFFFAOYSA-N -1 3 297.354 3.210 20 0 CGADHM CC[C@H](C)CCC(=O)Nc1n[n-]c(-c2ccccc2F)n1 ZINC000353154035 380143356 /nfs/dbraw/zinc/14/33/56/380143356.db2.gz RKPWEJKFRDXCSL-JTQLQIEISA-N -1 3 290.342 3.376 20 0 CGADHM CCCC(O)(CCC)CC(=O)Nc1ccccc1[O-] ZINC000268111284 190377770 /nfs/dbraw/zinc/37/77/70/190377770.db2.gz ZIQAALGSXFQMCA-UHFFFAOYSA-N -1 3 265.353 3.052 20 0 CGADHM Cc1nnc([N-][C@@H](C)c2nc3ccccc3n2C(F)F)o1 ZINC000286227064 380179415 /nfs/dbraw/zinc/17/94/15/380179415.db2.gz TXDGVTXTYSAART-ZETCQYMHSA-N -1 3 293.277 3.296 20 0 CGADHM O=C([O-])CC[C@H]1CCCN(CCc2ccccc2Cl)C1 ZINC000643056162 380208741 /nfs/dbraw/zinc/20/87/41/380208741.db2.gz XQXLTDVILSHNMC-CYBMUJFWSA-N -1 3 295.810 3.459 20 0 CGADHM CC[C@H](N[C@@H](C)c1nc(C)cc(=O)[n-]1)c1ccccc1 ZINC000279064091 194267757 /nfs/dbraw/zinc/26/77/57/194267757.db2.gz JARORMRAGWVIIZ-JSGCOSHPSA-N -1 3 271.364 3.293 20 0 CGADHM C[C@H](NCc1ccc(Cl)cc1Cl)[C@H](C)C(=O)[O-] ZINC000417609009 380648301 /nfs/dbraw/zinc/64/83/01/380648301.db2.gz JXWSQJDKEWTAMR-YUMQZZPRSA-N -1 3 276.163 3.192 20 0 CGADHM COC1(CNCc2cccc([O-])c2Cl)CCCCC1 ZINC000645172611 380602790 /nfs/dbraw/zinc/60/27/90/380602790.db2.gz YSJMTKRYJFBCMP-UHFFFAOYSA-N -1 3 283.799 3.485 20 0 CGADHM C[C@@H](C(=O)[O-])[C@H](C)NCc1cc(C(F)(F)F)ccc1F ZINC000417606653 380648964 /nfs/dbraw/zinc/64/89/64/380648964.db2.gz FSXFWJWZZWGAKH-SFYZADRCSA-N -1 3 293.260 3.043 20 0 CGADHM COc1ccccc1CN[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000417613543 380651584 /nfs/dbraw/zinc/65/15/84/380651584.db2.gz DCDVPDJWHWLCDV-HZPDHXFCSA-N -1 3 297.354 3.098 20 0 CGADHM C[C@@H](NCc1cc(Cl)ccc1Cl)[C@@H](C)C(=O)[O-] ZINC000417614530 380651852 /nfs/dbraw/zinc/65/18/52/380651852.db2.gz RZARJLOLFIZCOA-HTQZYQBOSA-N -1 3 276.163 3.192 20 0 CGADHM Cc1ccc(CN[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)s1 ZINC000417615621 380652146 /nfs/dbraw/zinc/65/21/46/380652146.db2.gz GMOXYKUNCNVMFU-CABCVRRESA-N -1 3 287.384 3.459 20 0 CGADHM CC(C)=CCSC[C@@H](NCc1csc(C)c1)C(=O)[O-] ZINC000417630703 380658241 /nfs/dbraw/zinc/65/82/41/380658241.db2.gz UXFXECWTTLQVJC-CYBMUJFWSA-N -1 3 299.461 3.299 20 0 CGADHM CC[C@H](CCC(=O)[O-])NCc1c(Cl)cccc1OC ZINC000417630379 380658384 /nfs/dbraw/zinc/65/83/84/380658384.db2.gz WKSLZABFLBYREY-SNVBAGLBSA-N -1 3 285.771 3.082 20 0 CGADHM Cc1cc(C(=O)Nc2ncccc2[O-])c(C)cc1Cl ZINC000356727089 380837841 /nfs/dbraw/zinc/83/78/41/380837841.db2.gz HLQIWBMJPKBUKP-UHFFFAOYSA-N -1 3 276.723 3.310 20 0 CGADHM [O-]c1cccc(CN2CCC[C@@H](CCO)CC2)c1Cl ZINC000421393897 380942365 /nfs/dbraw/zinc/94/23/65/380942365.db2.gz FKMSNQKSVFUYLF-GFCCVEGCSA-N -1 3 283.799 3.030 20 0 CGADHM C[C@H]1[C@@H](Cc2ccccc2)CCN1C(=O)c1cccc([O-])c1 ZINC000357311024 381102329 /nfs/dbraw/zinc/10/23/29/381102329.db2.gz UYASRBYRFUPLLF-GOEBONIOSA-N -1 3 295.382 3.486 20 0 CGADHM CCC[C@H](C)[C@@H]1CCCN1C(=O)c1cccc([O-])c1 ZINC000357442130 381161178 /nfs/dbraw/zinc/16/11/78/381161178.db2.gz ORBHDEDULCYULR-WFASDCNBSA-N -1 3 261.365 3.433 20 0 CGADHM CC(C)[C@@H]1CCCN1C(=O)Cc1ccc([O-])cc1Cl ZINC000357372969 381131096 /nfs/dbraw/zinc/13/10/96/381131096.db2.gz XFPPEYIZZYCROQ-AWEZNQCLSA-N -1 3 281.783 3.235 20 0 CGADHM Cc1ccc(NCc2c(F)ccc([O-])c2F)c(C)n1 ZINC000357706742 381257912 /nfs/dbraw/zinc/25/79/12/381257912.db2.gz QKJSKZDJPOSZMF-UHFFFAOYSA-N -1 3 264.275 3.294 20 0 CGADHM Cc1cccc2[nH]c(=NCc3c(F)ccc([O-])c3F)oc21 ZINC000357710352 381260738 /nfs/dbraw/zinc/26/07/38/381260738.db2.gz WACSBLBPLGNCHI-UHFFFAOYSA-N -1 3 290.269 3.154 20 0 CGADHM Cc1ccc(-c2cc(-c3nc(CCC4CC4)no3)n[n-]2)o1 ZINC000357676186 381246809 /nfs/dbraw/zinc/24/68/09/381246809.db2.gz RGCUYWALDNFVIT-UHFFFAOYSA-N -1 3 284.319 3.371 20 0 CGADHM Cc1ccc(-c2cc(-c3nc(CCC4CC4)no3)[n-]n2)o1 ZINC000357676186 381246822 /nfs/dbraw/zinc/24/68/22/381246822.db2.gz RGCUYWALDNFVIT-UHFFFAOYSA-N -1 3 284.319 3.371 20 0 CGADHM CC(F)(F)C(=O)[N-][C@H]1CCCOc2cc(Cl)ccc21 ZINC000289186388 197257060 /nfs/dbraw/zinc/25/70/60/197257060.db2.gz KGMJWIVMRDQHAR-JTQLQIEISA-N -1 3 289.709 3.325 20 0 CGADHM CO[C@H]1CCN(C(=O)c2ccc(C(C)C)cc2[O-])C[C@@H]1C ZINC000334912236 207280079 /nfs/dbraw/zinc/28/00/79/207280079.db2.gz UZTXCXXTZADYBY-LRDDRELGSA-N -1 3 291.391 3.013 20 0 CGADHM CCc1cc(C(=O)Nc2ccc3c[nH]nc3c2)ccc1[O-] ZINC000362505670 382024061 /nfs/dbraw/zinc/02/40/61/382024061.db2.gz OANWLGDHRVVOAR-UHFFFAOYSA-N -1 3 281.315 3.083 20 0 CGADHM CCc1cc(C(=O)N2CCCC(C)(C)C2)ccc1[O-] ZINC000362792663 382119081 /nfs/dbraw/zinc/11/90/81/382119081.db2.gz ACXMJAYMQLCOAV-UHFFFAOYSA-N -1 3 261.365 3.217 20 0 CGADHM Cc1noc(C)c1[C@H](C)NC(=O)c1cc([O-])ccc1Cl ZINC000235505757 542312650 /nfs/dbraw/zinc/31/26/50/542312650.db2.gz PGZBHQWDPRABOX-ZETCQYMHSA-N -1 3 294.738 3.141 20 0 CGADHM O=C([O-])c1ccc(CN2CC3(C2)CCCCC3)cc1 ZINC000093966707 304241035 /nfs/dbraw/zinc/24/10/35/304241035.db2.gz ZSXVRTBXPJQIJI-UHFFFAOYSA-N -1 3 259.349 3.151 20 0 CGADHM O=C(NC1CCCC1)c1cc([O-])c2ccccc2c1 ZINC000279909847 542380457 /nfs/dbraw/zinc/38/04/57/542380457.db2.gz JQMYMEAZVRJBAJ-UHFFFAOYSA-N -1 3 255.317 3.218 20 0 CGADHM CO[C@H]1CN(C(=O)c2cc([O-])c3ccccc3c2)CC[C@H]1C ZINC000281261311 542383919 /nfs/dbraw/zinc/38/39/19/542383919.db2.gz QROWQTPPFGLMDP-PXAZEXFGSA-N -1 3 299.370 3.042 20 0 CGADHM Cc1cc(C(=O)N[C@@H]2CCc3cc(F)ccc32)ccc1[O-] ZINC000353888887 220391041 /nfs/dbraw/zinc/39/10/41/220391041.db2.gz SDTVVDLJWGFZRR-OAHLLOKOSA-N -1 3 285.318 3.257 20 0 CGADHM O=C([O-])c1cccc(CN2CCS[C@H]3CCCC[C@H]32)c1 ZINC000263508472 304259826 /nfs/dbraw/zinc/25/98/26/304259826.db2.gz XYCVREGUOIRHDZ-CABCVRRESA-N -1 3 291.416 3.245 20 0 CGADHM CO[C@@H]1CCC[C@H](CC(=O)Nc2cc(F)ccc2[O-])C1 ZINC000281203730 195148760 /nfs/dbraw/zinc/14/87/60/195148760.db2.gz NGTOAOVNCIPYPH-CMPLNLGQSA-N -1 3 281.327 3.065 20 0 CGADHM CCC1(NC(=O)c2cc([O-])c3ccccc3c2)CCOCC1 ZINC000334495116 542457518 /nfs/dbraw/zinc/45/75/18/542457518.db2.gz GRUZXHSYCRBPMX-UHFFFAOYSA-N -1 3 299.370 3.234 20 0 CGADHM C[C@]1(F)CCN(C(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000334981162 542463613 /nfs/dbraw/zinc/46/36/13/542463613.db2.gz MMDSPPDNDVJMJJ-INIZCTEOSA-N -1 3 273.307 3.120 20 0 CGADHM CC(C)(CC(=O)Nc1ccccc1[O-])C(F)(F)F ZINC000281270085 195174971 /nfs/dbraw/zinc/17/49/71/195174971.db2.gz WXYRQNBEQQPRLX-UHFFFAOYSA-N -1 3 261.243 3.309 20 0 CGADHM CC1(C)C[C@H](c2noc(-c3ccccc3[O-])n2)CCO1 ZINC000351196056 542543976 /nfs/dbraw/zinc/54/39/76/542543976.db2.gz UOQPFNCQZDHCBU-SNVBAGLBSA-N -1 3 274.320 3.115 20 0 CGADHM Cc1cc(F)cc(-c2nc3ccc(O)cc3c(=O)[n-]2)c1 ZINC000351866652 542552043 /nfs/dbraw/zinc/55/20/43/542552043.db2.gz UOHSNGAIEGNIEC-UHFFFAOYSA-N -1 3 270.263 3.156 20 0 CGADHM CC1=CCN(C(=O)c2cc([O-])c3ccccc3c2)CC1 ZINC000355365341 542566630 /nfs/dbraw/zinc/56/66/30/542566630.db2.gz MDVONTYQGHJWPM-UHFFFAOYSA-N -1 3 267.328 3.338 20 0 CGADHM Cc1ccc(/C=C/C(=O)Nc2c(C)cccc2[O-])o1 ZINC000179561050 260055715 /nfs/dbraw/zinc/05/57/15/260055715.db2.gz AHMMRPOENVRNHR-CMDGGOBGSA-N -1 3 257.289 3.254 20 0 CGADHM CSCCCN(C)C(=O)c1ccc(C(C)C)cc1[O-] ZINC000281710125 195347629 /nfs/dbraw/zinc/34/76/29/195347629.db2.gz QWQBJLQLBAXSAX-UHFFFAOYSA-N -1 3 281.421 3.341 20 0 CGADHM C[C@@H](NC(=O)c1ccc(O)cc1[O-])c1ccc(Cl)cc1 ZINC000192821346 533290726 /nfs/dbraw/zinc/29/07/26/533290726.db2.gz YYNXLWUGKBXEPL-SECBINFHSA-N -1 3 291.734 3.242 20 0 CGADHM COc1c(C)cc(CN(C)C(=O)c2ccccc2[O-])cc1C ZINC000436634697 533396130 /nfs/dbraw/zinc/39/61/30/533396130.db2.gz IERJMCPGOFPCRY-UHFFFAOYSA-N -1 3 299.370 3.290 20 0 CGADHM COc1c(F)cc(F)cc1NC(=O)c1cccc(C)c1[O-] ZINC000436585638 533431329 /nfs/dbraw/zinc/43/13/29/533431329.db2.gz KKCZCLRYLMDUHV-UHFFFAOYSA-N -1 3 293.269 3.240 20 0 CGADHM COc1cccc(CCc2nc(-c3ccc([O-])cc3)no2)c1 ZINC000436770869 533468232 /nfs/dbraw/zinc/46/82/32/533468232.db2.gz VKJRVPZXEJRHHW-UHFFFAOYSA-N -1 3 296.326 3.236 20 0 CGADHM COc1ccc(CCCNC(=O)c2ccc(C)cc2[O-])cc1 ZINC000436580539 533475254 /nfs/dbraw/zinc/47/52/54/533475254.db2.gz BSYLDGVFIIPMRU-UHFFFAOYSA-N -1 3 299.370 3.072 20 0 CGADHM Cc1ccc(C(=O)Nc2ccc3[nH]ccc3c2)c([O-])c1 ZINC000436753232 533612966 /nfs/dbraw/zinc/61/29/66/533612966.db2.gz CTXFUXDSVACNRR-UHFFFAOYSA-N -1 3 266.300 3.434 20 0 CGADHM Cc1ccc(C(=O)Nc2ccnn2[C@H](C)C2CC2)c([O-])c1C ZINC000436569192 533618071 /nfs/dbraw/zinc/61/80/71/533618071.db2.gz AXWQLSFUJKBLLU-GFCCVEGCSA-N -1 3 299.374 3.429 20 0 CGADHM C[C@@H](CCc1ccccc1)CNCc1cc(C(=O)[O-])co1 ZINC000426713647 533669905 /nfs/dbraw/zinc/66/99/05/533669905.db2.gz ITKROOFUVKFSFZ-ZDUSSCGKSA-N -1 3 287.359 3.336 20 0 CGADHM Cc1oc(C(=O)[O-])cc1CN(C)[C@H](C)c1ccccc1 ZINC000383876114 542600836 /nfs/dbraw/zinc/60/08/36/542600836.db2.gz VLAWCAZXSZLQMV-LLVKDONJSA-N -1 3 273.332 3.479 20 0 CGADHM C[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000026874873 391951233 /nfs/dbraw/zinc/95/12/33/391951233.db2.gz MQJMDSYNTSNIOK-IUCAKERBSA-N -1 3 293.841 3.259 20 0 CGADHM Cc1ccc(F)c(S(=O)(=O)[N-][C@H](C)CCC(C)C)c1 ZINC000032402286 391968708 /nfs/dbraw/zinc/96/87/08/391968708.db2.gz SHDZGSMLMIREAC-GFCCVEGCSA-N -1 3 287.400 3.237 20 0 CGADHM Cc1nc(C)c(C(=O)[N-]c2nnc(C(C)(C)C)s2)s1 ZINC000048818673 392017548 /nfs/dbraw/zinc/01/75/48/392017548.db2.gz MQBGCMRWSPTTFZ-UHFFFAOYSA-N -1 3 296.421 3.161 20 0 CGADHM CC[C@@H]1CCC[C@@H](NC(=O)c2ccc(OC)cc2[O-])C1 ZINC000068604224 392166992 /nfs/dbraw/zinc/16/69/92/392166992.db2.gz NPBWARYPXOTEKP-VXGBXAGGSA-N -1 3 277.364 3.099 20 0 CGADHM CCC1(CC)CCN(C(=O)c2cccc(OC)c2[O-])CC1 ZINC000062959679 392134558 /nfs/dbraw/zinc/13/45/58/392134558.db2.gz XOWJCGVCPAEUPP-UHFFFAOYSA-N -1 3 291.391 3.443 20 0 CGADHM Cc1ccc(F)c(CNCCc2cccc(C(=O)[O-])c2)c1 ZINC000426698771 542650436 /nfs/dbraw/zinc/65/04/36/542650436.db2.gz BIFZLCRLAMBWQV-UHFFFAOYSA-N -1 3 287.334 3.165 20 0 CGADHM CCc1onc(C)c1[N-]C(=O)c1nc(C(C)C)oc1C ZINC000285883477 392344937 /nfs/dbraw/zinc/34/49/37/392344937.db2.gz WWLFKDBDMFYTBU-UHFFFAOYSA-N -1 3 277.324 3.218 20 0 CGADHM COc1ccc(NC(=O)Cc2c(C)cccc2C)c([O-])c1 ZINC000443563672 542667218 /nfs/dbraw/zinc/66/72/18/542667218.db2.gz ZJUSBTRCTNSINL-UHFFFAOYSA-N -1 3 285.343 3.199 20 0 CGADHM COc1ccc(NC(=O)[C@]2(C)CCC[C@H]2C)c([O-])c1 ZINC000451247491 542674704 /nfs/dbraw/zinc/67/47/04/542674704.db2.gz MLJGCBDYCOCOOZ-MEBBXXQBSA-N -1 3 263.337 3.166 20 0 CGADHM O=c1[nH]c(Cc2ccc3c(c2)CCC3)nc2ccc([O-])cc21 ZINC000446156130 542669093 /nfs/dbraw/zinc/66/90/93/542669093.db2.gz MBVNRMZOQDFSDV-UHFFFAOYSA-N -1 3 292.338 3.121 20 0 CGADHM CC(C)COC1CCN(Cc2ccc(C(=O)[O-])cc2)CC1 ZINC000263565225 131298294 /nfs/dbraw/zinc/29/82/94/131298294.db2.gz FJAXGBDRYWTALC-UHFFFAOYSA-N -1 3 291.391 3.022 20 0 CGADHM O=C([O-])[C@@H]1CCN(Cc2ccccc2Oc2ccccc2)C1 ZINC000263577497 131298932 /nfs/dbraw/zinc/29/89/32/131298932.db2.gz RMXMEUPMMZVTQL-OAHLLOKOSA-N -1 3 297.354 3.385 20 0 CGADHM C[C@@]1(c2ccccc2)CCN(C(=O)c2cccc([O-])c2)C1 ZINC000371583710 392538822 /nfs/dbraw/zinc/53/88/22/392538822.db2.gz ZZYDCGBMDGSJDX-GOSISDBHSA-N -1 3 281.355 3.196 20 0 CGADHM C/C=C/C[C@@H](CO)[N-]c1nc(-c2cccc(Cl)c2)no1 ZINC000302240969 392613563 /nfs/dbraw/zinc/61/35/63/392613563.db2.gz IENWXJWYMMTTFD-JDGPPOGSSA-N -1 3 293.754 3.129 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CCCC[C@H]2C(F)F)c1 ZINC000505452672 392667083 /nfs/dbraw/zinc/66/70/83/392667083.db2.gz DIBUNKOYFZEZKA-LBPRGKRZSA-N -1 3 283.318 3.214 20 0 CGADHM C[C@@H]1CC[C@H]1NCc1cccc([O-])c1Br ZINC000315711639 392669396 /nfs/dbraw/zinc/66/93/96/392669396.db2.gz LZCAIVRAILFUMA-PSASIEDQSA-N -1 3 270.170 3.043 20 0 CGADHM CC[C@@H](CC(F)F)C(=O)Nc1ccc(C)cc1[O-] ZINC000457403447 392632833 /nfs/dbraw/zinc/63/28/33/392632833.db2.gz KHRZEEKPKMAAGK-VIFPVBQESA-N -1 3 257.280 3.321 20 0 CGADHM Cc1cccc(C(=O)N2CCS[C@@H]3CCCC[C@@H]32)c1[O-] ZINC000175402704 392651221 /nfs/dbraw/zinc/65/12/21/392651221.db2.gz SQHWOJBIBQRFCK-UONOGXRCSA-N -1 3 291.416 3.201 20 0 CGADHM Cc1cccc(C(=O)N2C[C@H](C)[C@H]3CCCC[C@@H]32)c1[O-] ZINC000180520947 392710279 /nfs/dbraw/zinc/71/02/79/392710279.db2.gz TTYWJQOIRHOZGI-GUTXKFCHSA-N -1 3 273.376 3.351 20 0 CGADHM C[C@H]1CCCC[C@@H]1OCCNCc1c(F)ccc([O-])c1F ZINC000509917065 392776172 /nfs/dbraw/zinc/77/61/72/392776172.db2.gz YANVHDWHBXMYNA-NHYWBVRUSA-N -1 3 299.361 3.355 20 0 CGADHM Cc1cc(CNCc2cccc(C(=O)[O-])c2)cs1 ZINC000381328149 392907635 /nfs/dbraw/zinc/90/76/35/392907635.db2.gz YFVYDJXIXIDJRB-UHFFFAOYSA-N -1 3 261.346 3.045 20 0 CGADHM CCCCN(C)Cc1cc(C(=O)[O-])ccc1Cl ZINC000520240426 392913689 /nfs/dbraw/zinc/91/36/89/392913689.db2.gz WTXUDWUMCVNUAQ-UHFFFAOYSA-N -1 3 255.745 3.270 20 0 CGADHM Cc1ccc(NC(=O)c2coc(Br)c2)c([O-])c1 ZINC000336602211 392864825 /nfs/dbraw/zinc/86/48/25/392864825.db2.gz OVWKYPQGKKCBAX-UHFFFAOYSA-N -1 3 296.120 3.308 20 0 CGADHM COc1cccc(C(=O)Nc2ccc3cc[nH]c3c2)c1[O-] ZINC000194859531 392941974 /nfs/dbraw/zinc/94/19/74/392941974.db2.gz JXDJIAHFSGMZQM-UHFFFAOYSA-N -1 3 282.299 3.134 20 0 CGADHM O=C(N[C@@H]1C=CCCC1)c1cc([O-])c2ccccc2c1 ZINC000527457506 542742606 /nfs/dbraw/zinc/74/26/06/542742606.db2.gz SVAWHYDKGSJSPV-CQSZACIVSA-N -1 3 267.328 3.384 20 0 CGADHM Cc1cccc(C(=O)NCc2ccccc2OC(C)C)c1[O-] ZINC000195534008 392971309 /nfs/dbraw/zinc/97/13/09/392971309.db2.gz YWXCYNSRFYBZRJ-UHFFFAOYSA-N -1 3 299.370 3.418 20 0 CGADHM CCc1cccc(-c2nc(Cc3cscn3)no2)c1[O-] ZINC000547000735 393088117 /nfs/dbraw/zinc/08/81/17/393088117.db2.gz ABSXYJVKACFGKA-UHFFFAOYSA-N -1 3 287.344 3.052 20 0 CGADHM CCc1cccc(C(=O)N2CC[C@H](C)C(C)(C)C2)c1[O-] ZINC000546187662 393037961 /nfs/dbraw/zinc/03/79/61/393037961.db2.gz ATQAUHUPAGZBLG-LBPRGKRZSA-N -1 3 275.392 3.463 20 0 CGADHM Cc1ccc([O-])c(NC(=O)C[C@@H](C)c2cccc(F)c2)n1 ZINC000345924410 393072274 /nfs/dbraw/zinc/07/22/74/393072274.db2.gz JFVJOLSHUZHWIT-SNVBAGLBSA-N -1 3 288.322 3.367 20 0 CGADHM CCC(C)(C)C(=O)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000467714190 393107922 /nfs/dbraw/zinc/10/79/22/393107922.db2.gz HORRHIKXXKTTOD-UHFFFAOYSA-N -1 3 293.317 3.152 20 0 CGADHM CC(C)n1cc([C@H](C)NCc2cc([O-])cc(F)c2)cn1 ZINC000547436108 393116472 /nfs/dbraw/zinc/11/64/72/393116472.db2.gz VSAXIYNBRUHVGH-NSHDSACASA-N -1 3 277.343 3.160 20 0 CGADHM O=C(CCCc1ccc([O-])c(F)c1)NC1CCCCC1 ZINC000468563598 393153005 /nfs/dbraw/zinc/15/30/05/393153005.db2.gz GCRYCMWKNQFOCU-UHFFFAOYSA-N -1 3 279.355 3.303 20 0 CGADHM CC[C@H](C)[C@@H](C)NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000468616792 393155137 /nfs/dbraw/zinc/15/51/37/393155137.db2.gz CLKQFQDJXICSSN-NWDGAFQWSA-N -1 3 281.371 3.405 20 0 CGADHM Cc1ccc(F)c(NC(=O)c2c[n-]nc2-c2ccncc2)c1 ZINC000471693160 393293395 /nfs/dbraw/zinc/29/33/95/393293395.db2.gz NWBOMESRXMSIDP-UHFFFAOYSA-N -1 3 296.305 3.172 20 0 CGADHM Cc1ccc(F)c(NC(=O)c2cn[n-]c2-c2ccncc2)c1 ZINC000471693160 393293397 /nfs/dbraw/zinc/29/33/97/393293397.db2.gz NWBOMESRXMSIDP-UHFFFAOYSA-N -1 3 296.305 3.172 20 0 CGADHM CCN(Cc1ccc(Cl)cc1)C(=O)c1csc(=O)[n-]1 ZINC000471716296 393296139 /nfs/dbraw/zinc/29/61/39/393296139.db2.gz OOESBPCCPKBCNX-UHFFFAOYSA-N -1 3 296.779 3.164 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2C[C@H](C)[C@@H](C)[C@H]2C)c1 ZINC000416326167 393300242 /nfs/dbraw/zinc/30/02/42/393300242.db2.gz ZQIJXNOBSPOLOE-QJPTWQEYSA-N -1 3 261.365 3.071 20 0 CGADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1CCCCCC1 ZINC000646561198 393301201 /nfs/dbraw/zinc/30/12/01/393301201.db2.gz GGZXUIZZFYNHHP-UHFFFAOYSA-N -1 3 287.281 3.427 20 0 CGADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C2CCC2)c1Cl ZINC000416508128 393313627 /nfs/dbraw/zinc/31/36/27/393313627.db2.gz QTNPWZUUFWDBQE-UHFFFAOYSA-N -1 3 294.203 3.133 20 0 CGADHM CCc1ccc(C(=O)N(C)CCC(C)(C)C)c([O-])c1 ZINC000649028172 393325916 /nfs/dbraw/zinc/32/59/16/393325916.db2.gz PPAHPWJIGLLMGX-UHFFFAOYSA-N -1 3 263.381 3.463 20 0 CGADHM C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccc2[nH][n-]c(=O)c2c1 ZINC000646823249 393326089 /nfs/dbraw/zinc/32/60/89/393326089.db2.gz YANXDOTZMIVSBB-UEKVPHQBSA-N -1 3 299.374 3.062 20 0 CGADHM CC[C@@H](C(=O)N=c1[nH][n-]c(C(C)C)c1C)c1ccccc1 ZINC000649233121 393380705 /nfs/dbraw/zinc/38/07/05/393380705.db2.gz AAZWXAJJECXUFV-CQSZACIVSA-N -1 3 285.391 3.396 20 0 CGADHM Clc1cc2cc(-c3nc([C@@H]4CCCN4)no3)[n-]c2s1 ZINC000647144985 393347666 /nfs/dbraw/zinc/34/76/66/393347666.db2.gz KVYXRPGHWOMGTJ-ZETCQYMHSA-N -1 3 294.767 3.357 20 0 CGADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000649167486 393366178 /nfs/dbraw/zinc/36/61/78/393366178.db2.gz SOMYVQHBCCYQKS-MGPQQGTHSA-N -1 3 291.366 3.159 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])[C@@H]1CCCC(F)(F)C1 ZINC000281899185 393367655 /nfs/dbraw/zinc/36/76/55/393367655.db2.gz ABHWDSWUMFJVLV-MRVPVSSYSA-N -1 3 273.254 3.295 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@]1(C)CCc2ccccc21 ZINC000649228265 393376439 /nfs/dbraw/zinc/37/64/39/393376439.db2.gz GOWRYAYOSKIZJY-GOSISDBHSA-N -1 3 297.402 3.106 20 0 CGADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000476161806 393427587 /nfs/dbraw/zinc/42/75/87/393427587.db2.gz PIRAJNLLDMDSAW-GDGBQDQQSA-N -1 3 285.265 3.396 20 0 CGADHM O=C([O-])[C@@H](NCc1cccc2c1CCC2)c1ccccc1 ZINC000649505327 393459693 /nfs/dbraw/zinc/45/96/93/393459693.db2.gz FGGIFZLGQPFNKD-KRWDZBQOSA-N -1 3 281.355 3.091 20 0 CGADHM COc1cc(C(=O)N2C[C@@H](C)CCC[C@H]2C)ccc1[O-] ZINC000357607403 393512602 /nfs/dbraw/zinc/51/26/02/393512602.db2.gz VWDGLTUVJCFMRW-NWDGAFQWSA-N -1 3 277.364 3.052 20 0 CGADHM Cc1ccoc1C[N-]S(=O)(=O)c1cccc(Cl)c1C ZINC000490333027 393638733 /nfs/dbraw/zinc/63/87/33/393638733.db2.gz AGYMZNYYOJGLPE-UHFFFAOYSA-N -1 3 299.779 3.028 20 0 CGADHM CC(C)(C)C1=CCN(C(=O)/C=C\c2cncc([O-])c2)CC1 ZINC000492515980 393747465 /nfs/dbraw/zinc/74/74/65/393747465.db2.gz AAWNBPCPVKIMMI-PLNGDYQASA-N -1 3 286.375 3.005 20 0 CGADHM COc1cc(C(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)ccc1[O-] ZINC000443284781 393750516 /nfs/dbraw/zinc/75/05/16/393750516.db2.gz CLTOKCNXGXPNQZ-SGMGOOAPSA-N -1 3 289.375 3.099 20 0 CGADHM CC[C@H](C)Oc1ccccc1/C=C\C(=O)[N-]OCC(F)F ZINC000492581321 393757786 /nfs/dbraw/zinc/75/77/86/393757786.db2.gz LXOVPFAADSUEFU-IQQGHNRFSA-N -1 3 299.317 3.190 20 0 CGADHM O=C(/C=C\C1CC1)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000492220907 393704966 /nfs/dbraw/zinc/70/49/66/393704966.db2.gz GVPRSKBBILGHAR-UTCJRWHESA-N -1 3 271.238 3.316 20 0 CGADHM O=C(/C=C\C1CC1)Nc1cc(Br)ccc1[O-] ZINC000492251266 393709675 /nfs/dbraw/zinc/70/96/75/393709675.db2.gz WOVLPXKWIFCKPC-UTCJRWHESA-N -1 3 282.137 3.059 20 0 CGADHM O=C(/C=C\c1ccc2ccccc2c1)[N-]OCC(F)F ZINC000492622727 393763793 /nfs/dbraw/zinc/76/37/93/393763793.db2.gz XVGITIXYEQKYBL-VURMDHGXSA-N -1 3 277.270 3.166 20 0 CGADHM CCOc1cc(-c2noc([C@H](C)CSC)n2)ccc1[O-] ZINC000445426273 393792952 /nfs/dbraw/zinc/79/29/52/393792952.db2.gz IUYRLGRRDSYJRI-SECBINFHSA-N -1 3 294.376 3.307 20 0 CGADHM CCC[C@@H](C)CC(=O)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000499689786 393804137 /nfs/dbraw/zinc/80/41/37/393804137.db2.gz FHZSWDUOUXQWBF-GFCCVEGCSA-N -1 3 271.364 3.263 20 0 CGADHM CC(C)c1ccc(-c2nc(-c3cocn3)no2)c([O-])c1 ZINC000445562099 393807565 /nfs/dbraw/zinc/80/75/65/393807565.db2.gz YXMQZVMNLSEGFV-UHFFFAOYSA-N -1 3 271.276 3.221 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CCc3cc(F)cc(C)c3C2)c1 ZINC000501219287 393848747 /nfs/dbraw/zinc/84/87/47/393848747.db2.gz UKQHOZKRURSLSV-UHFFFAOYSA-N -1 3 299.345 3.347 20 0 CGADHM CC(C)(C)c1nnc([N-]C(=O)c2ccc(F)s2)s1 ZINC000666973646 542830967 /nfs/dbraw/zinc/83/09/67/542830967.db2.gz XTBRHZAJFGYXJF-UHFFFAOYSA-N -1 3 285.369 3.289 20 0 CGADHM CO[C@H]1C[C@@H](N(C)Cc2cccc([O-])c2Cl)C12CCC2 ZINC000449636421 393931054 /nfs/dbraw/zinc/93/10/54/393931054.db2.gz WDKYDWIXXZTDTB-KGLIPLIRSA-N -1 3 295.810 3.435 20 0 CGADHM CC[C@H]1CCC[C@H]1C(=O)Nc1cc(F)ccc1[O-] ZINC000450040310 393967866 /nfs/dbraw/zinc/96/78/66/393967866.db2.gz FROMZJQAJBSIFC-GXSJLCMTSA-N -1 3 251.301 3.296 20 0 CGADHM Cc1ccc(-c2nnc(NC(=O)CCCC(C)C)[n-]2)o1 ZINC000450140989 393984861 /nfs/dbraw/zinc/98/48/61/393984861.db2.gz RHYKFHYIAMNWGZ-UHFFFAOYSA-N -1 3 276.340 3.138 20 0 CGADHM Cc1ccc(-c2n[n-]c(NC(=O)CCCC(C)C)n2)o1 ZINC000450140989 393984862 /nfs/dbraw/zinc/98/48/62/393984862.db2.gz RHYKFHYIAMNWGZ-UHFFFAOYSA-N -1 3 276.340 3.138 20 0 CGADHM Cc1ccc(-c2nc(NC(=O)CCCC(C)C)n[n-]2)o1 ZINC000450140989 393984863 /nfs/dbraw/zinc/98/48/63/393984863.db2.gz RHYKFHYIAMNWGZ-UHFFFAOYSA-N -1 3 276.340 3.138 20 0 CGADHM CCOc1cc(CN2CC[C@H]3C[C@H]3C2)cc(Cl)c1[O-] ZINC000668676658 543042468 /nfs/dbraw/zinc/04/24/68/543042468.db2.gz CPJJXUIDNVVNGY-RYUDHWBXSA-N -1 3 281.783 3.286 20 0 CGADHM CCC[C@H]1SCCN1C(=O)c1cc(SC)ccc1[O-] ZINC000668808782 543064203 /nfs/dbraw/zinc/06/42/03/543064203.db2.gz TXJSPIREPSIBIK-CYBMUJFWSA-N -1 3 297.445 3.429 20 0 CGADHM CSc1ccc([O-])c(C(=O)N2CCS[C@@H](C)[C@H]2C)c1 ZINC000668894212 543075196 /nfs/dbraw/zinc/07/51/96/543075196.db2.gz UZWYUCRABXBHFJ-ZJUUUORDSA-N -1 3 297.445 3.080 20 0 CGADHM O=C([O-])Cc1ccccc1CNCc1ccccc1C1CC1 ZINC000669469844 543108188 /nfs/dbraw/zinc/10/81/88/543108188.db2.gz XDGJJMDFXDKDQB-UHFFFAOYSA-N -1 3 295.382 3.481 20 0 CGADHM COc1cccc(C(=O)N(C)C(C)(C)c2ccccc2)c1[O-] ZINC000671586687 543172642 /nfs/dbraw/zinc/17/26/42/543172642.db2.gz LXSQKCKVYWUASS-UHFFFAOYSA-N -1 3 299.370 3.408 20 0 CGADHM CC(=O)c1cccc(NC(=O)Cc2ccc(C)cc2)c1[O-] ZINC000673527018 543243704 /nfs/dbraw/zinc/24/37/04/543243704.db2.gz HWSNLCOVBNBGFC-UHFFFAOYSA-N -1 3 283.327 3.084 20 0 CGADHM CCOc1c(Cl)cccc1CN(C)[C@@H](CC)C(=O)[O-] ZINC000650806194 397926761 /nfs/dbraw/zinc/92/67/61/397926761.db2.gz SSOZROOUUKVATP-LBPRGKRZSA-N -1 3 285.771 3.034 20 0 CGADHM O=C([N-]c1cnoc1)c1cc(F)cc(C(F)(F)F)c1 ZINC000674787070 543297104 /nfs/dbraw/zinc/29/71/04/543297104.db2.gz AEXYUMKIYPOONF-UHFFFAOYSA-N -1 3 274.173 3.085 20 0 CGADHM C[C@@H](C(=O)Nc1cccc([O-])c1F)C1CCCC1 ZINC000677801216 543466169 /nfs/dbraw/zinc/46/61/69/543466169.db2.gz JEPWVENMQPLJQS-SECBINFHSA-N -1 3 251.301 3.296 20 0 CGADHM CCc1cc([N-]C(=O)c2cc(F)c(Cl)cc2F)no1 ZINC000677897208 543472270 /nfs/dbraw/zinc/47/22/70/543472270.db2.gz BUJPSYMVWSPCKL-UHFFFAOYSA-N -1 3 286.665 3.421 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)c2c(C)cccc2C)o1 ZINC000330861767 292181918 /nfs/dbraw/zinc/18/19/18/292181918.db2.gz LQDZARVBSUVKJX-ZDUSSCGKSA-N -1 3 293.388 3.244 20 0 CGADHM CCc1cccc(C(=O)Nc2cccc(F)c2F)c1[O-] ZINC000678306716 543513563 /nfs/dbraw/zinc/51/35/63/543513563.db2.gz NAADRVUAUQSUEY-UHFFFAOYSA-N -1 3 277.270 3.485 20 0 CGADHM Cc1cccc(C(=O)N[C@H]2CCCc3occc32)c1[O-] ZINC000302931392 292427565 /nfs/dbraw/zinc/42/75/65/292427565.db2.gz FOSRLPGRUPFYHQ-ZDUSSCGKSA-N -1 3 271.316 3.101 20 0 CGADHM Cc1ccc(C(=O)N(C)[C@H]2CCC[C@@H](C)C2)c([O-])c1 ZINC000042355411 286894019 /nfs/dbraw/zinc/89/40/19/286894019.db2.gz RURMIYCLDPZWON-YPMHNXCESA-N -1 3 261.365 3.351 20 0 CGADHM COc1cccc(NC(=O)c2ccc(C)c(C)c2[O-])c1 ZINC000048517701 286906975 /nfs/dbraw/zinc/90/69/75/286906975.db2.gz BTQUKSIHZNRLKY-UHFFFAOYSA-N -1 3 271.316 3.270 20 0 CGADHM O=C(Nc1ccccc1[O-])c1ccc(F)c(F)c1F ZINC000075285650 287023410 /nfs/dbraw/zinc/02/34/10/287023410.db2.gz MKQVCRUIBVAFBO-UHFFFAOYSA-N -1 3 267.206 3.062 20 0 CGADHM CC[C@H](NC(=O)c1cccc(C)c1[O-])c1nccs1 ZINC000080305760 287064661 /nfs/dbraw/zinc/06/46/61/287064661.db2.gz NRTZAOSLRIBGQA-NSHDSACASA-N -1 3 276.361 3.038 20 0 CGADHM O=C(Nc1ccc([O-])cc1F)c1cc2ccccc2[nH]1 ZINC000070333067 165060168 /nfs/dbraw/zinc/06/01/68/165060168.db2.gz QZRHQMQBSLFEHO-UHFFFAOYSA-N -1 3 270.263 3.265 20 0 CGADHM COc1ccc([O-])c(-c2nc(-c3ccc(C)cc3)no2)c1 ZINC000111687099 287136030 /nfs/dbraw/zinc/13/60/30/287136030.db2.gz AERRNWVFCPYWGK-UHFFFAOYSA-N -1 3 282.299 3.426 20 0 CGADHM Cc1ccc([O-])c(-c2nc(-c3cccc(C)n3)no2)c1 ZINC000111688701 287136342 /nfs/dbraw/zinc/13/63/42/287136342.db2.gz WDZAORRWHYEUOZ-UHFFFAOYSA-N -1 3 267.288 3.121 20 0 CGADHM Cc1ccc(C(=O)N(C)[C@@H]2CCc3ccccc3C2)c([O-])c1 ZINC000114280328 287150364 /nfs/dbraw/zinc/15/03/64/287150364.db2.gz UHDJRFGJLVVCKJ-MRXNPFEDSA-N -1 3 295.382 3.330 20 0 CGADHM Cc1cccc(C(=O)Nc2ccc(-c3ncc[nH]3)cc2)c1[O-] ZINC000116444181 287158141 /nfs/dbraw/zinc/15/81/41/287158141.db2.gz YGRXXTRVJXDRCY-UHFFFAOYSA-N -1 3 293.326 3.343 20 0 CGADHM C[C@@H]1CC=CC[C@H]1C(=O)N1CCCc2cccc([O-])c21 ZINC000285950647 287242153 /nfs/dbraw/zinc/24/21/53/287242153.db2.gz ZKBZXEOMAIBFHT-TZMCWYRMSA-N -1 3 271.360 3.274 20 0 CGADHM C[C@H](NC(=O)c1c([O-])cccc1O)c1ccc(Cl)cc1 ZINC000125553544 287247002 /nfs/dbraw/zinc/24/70/02/287247002.db2.gz JBCMPPKSVAJWLW-VIFPVBQESA-N -1 3 291.734 3.242 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CC[C@@H]3CCCC[C@H]3C2)c1 ZINC000035175110 172028490 /nfs/dbraw/zinc/02/84/90/172028490.db2.gz MUCXGLOXNIRWKL-KBPBESRZSA-N -1 3 273.376 3.353 20 0 CGADHM O=C([O-])C[C@H]1CCCCN1Cc1ccccc1Cl ZINC000038027754 174014277 /nfs/dbraw/zinc/01/42/77/174014277.db2.gz VYJXEBQRYASHNC-GFCCVEGCSA-N -1 3 267.756 3.169 20 0 CGADHM Cc1ccc(C(=O)N[C@@H](C)c2nc3ccccc3[nH]2)c([O-])c1 ZINC000127707481 287294113 /nfs/dbraw/zinc/29/41/13/287294113.db2.gz WXSONRASTJOFIJ-NSHDSACASA-N -1 3 295.342 3.068 20 0 CGADHM C[C@H](C(=O)Nc1cccc([O-])c1F)c1cccs1 ZINC000128670835 287315927 /nfs/dbraw/zinc/31/59/27/287315927.db2.gz NKEJQHIUFBZSGN-QMMMGPOBSA-N -1 3 265.309 3.335 20 0 CGADHM Cc1ccc(NC(=O)c2ccc(F)c(F)c2F)c([O-])c1 ZINC000075285599 176682720 /nfs/dbraw/zinc/68/27/20/176682720.db2.gz FEIRSTOHANVWAM-UHFFFAOYSA-N -1 3 281.233 3.370 20 0 CGADHM Cc1cc(C)cc(OCCNCc2ccc(C(=O)[O-])cc2)c1 ZINC000076271838 176966827 /nfs/dbraw/zinc/96/68/27/176966827.db2.gz FVEYJRGSAXIASF-UHFFFAOYSA-N -1 3 299.370 3.170 20 0 CGADHM CCc1c(C(=O)Nc2ccccc2[O-])cnn1CC(C)C ZINC000129266675 287328057 /nfs/dbraw/zinc/32/80/57/287328057.db2.gz PTFVJGCTNDVAOF-UHFFFAOYSA-N -1 3 287.363 3.059 20 0 CGADHM CC1(C)CCC(NC(=O)c2c[n-]c3ccccc3c2=O)CC1 ZINC000129323415 287328650 /nfs/dbraw/zinc/32/86/50/287328650.db2.gz CHYACWMNIZRDQF-UHFFFAOYSA-N -1 3 298.386 3.227 20 0 CGADHM C[C@@H](c1ccc(F)cc1F)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000312273064 416533663 /nfs/dbraw/zinc/53/36/63/416533663.db2.gz ANVWRGPSXVVEBB-SCVCMEIPSA-N -1 3 283.318 3.068 20 0 CGADHM COc1ccc([O-])c(C(=O)Nc2ccc3nc(C)oc3c2)c1 ZINC000126007742 416509172 /nfs/dbraw/zinc/50/91/72/416509172.db2.gz LLIPWLYWDVDERI-UHFFFAOYSA-N -1 3 298.298 3.103 20 0 CGADHM CC[C@H](NC(=O)c1ccc(C)cc1[O-])c1c(C)noc1C ZINC000129714711 287337524 /nfs/dbraw/zinc/33/75/24/287337524.db2.gz WYAGRPKGTXEKJM-ZDUSSCGKSA-N -1 3 288.347 3.187 20 0 CGADHM C[C@H]1CC[C@@H](CC(=O)Nc2cccc([O-])c2F)C1 ZINC000129771241 287338863 /nfs/dbraw/zinc/33/88/63/287338863.db2.gz AHMCQEBFGDDKEV-VHSXEESVSA-N -1 3 251.301 3.296 20 0 CGADHM Cc1cc(C(=O)N2CCC(c3cccnc3)CC2)ccc1[O-] ZINC000679411638 543636439 /nfs/dbraw/zinc/63/64/39/543636439.db2.gz NOTRXAFWLDYVLS-UHFFFAOYSA-N -1 3 296.370 3.115 20 0 CGADHM CC(=O)Nc1c(C)ccc(NC(=O)c2cccc([O-])c2)c1C ZINC000679633611 543652607 /nfs/dbraw/zinc/65/26/07/543652607.db2.gz PTKREUAZIJUIIV-UHFFFAOYSA-N -1 3 298.342 3.220 20 0 CGADHM CCc1cccc(C(=O)N2CCc3ccsc3C2)c1[O-] ZINC000130261512 287349540 /nfs/dbraw/zinc/34/95/40/287349540.db2.gz CVLPWACECCFIAH-UHFFFAOYSA-N -1 3 287.384 3.215 20 0 CGADHM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1cncnc1C ZINC000130973671 287367531 /nfs/dbraw/zinc/36/75/31/287367531.db2.gz XBYZXDCRPYFCDF-UHFFFAOYSA-N -1 3 294.314 3.001 20 0 CGADHM Cc1ccc(CN(C)C(=O)c2ccc(C(C)C)cc2[O-])nc1 ZINC000682817818 543870760 /nfs/dbraw/zinc/87/07/60/543870760.db2.gz QLMZASHDQWVKJC-UHFFFAOYSA-N -1 3 298.386 3.491 20 0 CGADHM COc1ccc([C@H](CC(=O)[O-])NCc2cccc(C)c2)cc1 ZINC000683170977 543901087 /nfs/dbraw/zinc/90/10/87/543901087.db2.gz CVFAQEFJLKNMHK-KRWDZBQOSA-N -1 3 299.370 3.309 20 0 CGADHM Fc1cccc2oc([N-]c3cnn(-c4ccccn4)c3)nc21 ZINC000683752284 543938186 /nfs/dbraw/zinc/93/81/86/543938186.db2.gz LSBKDQOJCTUHOT-UHFFFAOYSA-N -1 3 295.277 3.291 20 0 CGADHM Cc1ccc(C)c(CC(=O)NCc2ccc([O-])c(F)c2)c1 ZINC000133180299 287418458 /nfs/dbraw/zinc/41/84/58/287418458.db2.gz TUDOFRSTFKNQOR-UHFFFAOYSA-N -1 3 287.334 3.007 20 0 CGADHM Cc1ccc(NC(=O)Cc2cc(F)c(F)cc2F)c([O-])c1 ZINC000133853415 287431018 /nfs/dbraw/zinc/43/10/18/287431018.db2.gz CODPPEQWBMQLTM-UHFFFAOYSA-N -1 3 295.260 3.299 20 0 CGADHM C[C@H]1C[C@@H]1CC(=O)Nc1cc(Br)ccc1[O-] ZINC000354894553 227213246 /nfs/dbraw/zinc/21/32/46/227213246.db2.gz FXBPZVZWCUQKAW-JGVFFNPUSA-N -1 3 284.153 3.139 20 0 CGADHM Cc1oc(CN(C)[C@H]2C[C@@H]2c2ccccc2)cc1C(=O)[O-] ZINC000652441393 418968708 /nfs/dbraw/zinc/96/87/08/418968708.db2.gz JRVHKHRIIFMZKS-CVEARBPZSA-N -1 3 285.343 3.274 20 0 CGADHM CC(C)N(CCc1ccccc1C(=O)[O-])Cc1ccco1 ZINC000652387799 418959892 /nfs/dbraw/zinc/95/98/92/418959892.db2.gz YYEVQSPTCKAMCV-UHFFFAOYSA-N -1 3 287.359 3.431 20 0 CGADHM O=C([O-])c1ccccc1CN1CCCc2sccc2C1 ZINC000652410955 418964287 /nfs/dbraw/zinc/96/42/87/418964287.db2.gz MJGLVHUMLCVFBX-UHFFFAOYSA-N -1 3 287.384 3.395 20 0 CGADHM COC1CCC(C(=O)Nc2c([O-])cccc2Cl)CC1 ZINC000655110357 419022076 /nfs/dbraw/zinc/02/20/76/419022076.db2.gz NWWYFTOYILNNNJ-UHFFFAOYSA-N -1 3 283.755 3.189 20 0 CGADHM Cc1cc(C)n([C@@H](C)C(=O)Nc2c([O-])cccc2Cl)n1 ZINC000655110522 419022466 /nfs/dbraw/zinc/02/24/66/419022466.db2.gz BYZJWBYEWLCFOC-JTQLQIEISA-N -1 3 293.754 3.059 20 0 CGADHM C[C@H](c1ccc(F)cc1F)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000652514978 418978155 /nfs/dbraw/zinc/97/81/55/418978155.db2.gz JMCBFVLYVUSEIB-BIGNPOOSSA-N -1 3 295.329 3.068 20 0 CGADHM O=C([O-])C1(CN2CCc3oc(-c4ccccc4)cc3C2)CC1 ZINC000659798410 418992651 /nfs/dbraw/zinc/99/26/51/418992651.db2.gz CSKHIJKRKCJDOQ-UHFFFAOYSA-N -1 3 297.354 3.170 20 0 CGADHM CC[C@@H](N[C@H](C)c1nc(C)cc(=O)[n-]1)c1ccccc1F ZINC000653791037 419087070 /nfs/dbraw/zinc/08/70/70/419087070.db2.gz AQIVXQKPAIOGLL-BXUZGUMPSA-N -1 3 289.354 3.432 20 0 CGADHM CC(=O)c1ccc(C(=O)N2C3CCCC2CCC3)cc1[O-] ZINC000665326379 419113684 /nfs/dbraw/zinc/11/36/84/419113684.db2.gz ICUWMZDAMPJIRZ-UHFFFAOYSA-N -1 3 287.359 3.142 20 0 CGADHM CC[C@@H](NCc1cccc([O-])c1Cl)[C@@H]1CCCCO1 ZINC000655855650 419123612 /nfs/dbraw/zinc/12/36/12/419123612.db2.gz FUCQKQNJKBGIRO-OCCSQVGLSA-N -1 3 283.799 3.483 20 0 CGADHM COc1c(F)ccc(F)c1C(=O)Nc1cc(F)ccc1[O-] ZINC000151341555 287511748 /nfs/dbraw/zinc/51/17/48/287511748.db2.gz UUMDVRPQIGQIHN-UHFFFAOYSA-N -1 3 297.232 3.070 20 0 CGADHM CSc1ccc([O-])c(C(=O)N2CCCC[C@@H]2C)c1 ZINC000665170473 419070667 /nfs/dbraw/zinc/07/06/67/419070667.db2.gz VBQLWTVQPCVWKA-JTQLQIEISA-N -1 3 265.378 3.129 20 0 CGADHM c1cc(-c2cncc(-c3nnn[n-]3)c2)cc(C2CCC2)c1 ZINC000665180858 419072618 /nfs/dbraw/zinc/07/26/18/419072618.db2.gz VHUMPDGGCLIVPM-UHFFFAOYSA-N -1 3 277.331 3.196 20 0 CGADHM c1cc(-c2cncc(-c3nn[n-]n3)c2)cc(C2CCC2)c1 ZINC000665180858 419072620 /nfs/dbraw/zinc/07/26/20/419072620.db2.gz VHUMPDGGCLIVPM-UHFFFAOYSA-N -1 3 277.331 3.196 20 0 CGADHM CC(C)(C)CC(C)(C)NC(=O)c1ccc2[nH][n-]c(=O)c2c1 ZINC000665916009 419170805 /nfs/dbraw/zinc/17/08/05/419170805.db2.gz PUPNRMHMWUGXRA-UHFFFAOYSA-N -1 3 289.379 3.213 20 0 CGADHM CCN(C(=O)c1ccc(C(C)=O)c([O-])c1)C1CCCCC1 ZINC000666038006 419182269 /nfs/dbraw/zinc/18/22/69/419182269.db2.gz CVMXPOJLJGEMKE-UHFFFAOYSA-N -1 3 289.375 3.390 20 0 CGADHM CCOc1ccc(CNCc2ccc(C(=O)[O-])cc2)c(C)c1 ZINC000656564693 419183455 /nfs/dbraw/zinc/18/34/55/419183455.db2.gz VNIZBHXBEFAHLP-UHFFFAOYSA-N -1 3 299.370 3.382 20 0 CGADHM Cn1ncc(C2CCC2)c1C=Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000656614418 419186345 /nfs/dbraw/zinc/18/63/45/419186345.db2.gz ZAPUXKXLKUAFBR-FPLPWBNLSA-N -1 3 296.374 3.231 20 0 CGADHM CO[C@@H](CS(=O)(=O)[N-]c1ccccc1)C1CCCCC1 ZINC000656614494 419186750 /nfs/dbraw/zinc/18/67/50/419186750.db2.gz ZTSXDQNVXUDJIO-HNNXBMFYSA-N -1 3 297.420 3.024 20 0 CGADHM CC(C)(C)c1nc(C=Cc2ccnn2CC2CC2)cc(=O)[n-]1 ZINC000656614245 419187081 /nfs/dbraw/zinc/18/70/81/419187081.db2.gz XONDFHRVODWQTR-VOTSOKGWSA-N -1 3 298.390 3.257 20 0 CGADHM Cc1cc(=O)[n-]c(C(C)(C)NCCCC(C)(C)C)n1 ZINC000660751733 419189401 /nfs/dbraw/zinc/18/94/01/419189401.db2.gz PJZJCOBRVSRQRE-UHFFFAOYSA-N -1 3 265.401 3.142 20 0 CGADHM Cc1cc(C)cc(CNC(C)(C)c2nc(C)cc(=O)[n-]2)c1 ZINC000660748664 419190175 /nfs/dbraw/zinc/19/01/75/419190175.db2.gz ZASZVOZPBPZENJ-UHFFFAOYSA-N -1 3 285.391 3.132 20 0 CGADHM CO[C@@H](c1nc(-c2ccc([O-])cc2)no1)C1CCCC1 ZINC000656747456 419206864 /nfs/dbraw/zinc/20/68/64/419206864.db2.gz KXPQVKSJDPEHCC-CYBMUJFWSA-N -1 3 274.320 3.320 20 0 CGADHM CC1(C)CN(Cc2ccc(C(=O)[O-])o2)CCc2ccccc21 ZINC000656757920 419211193 /nfs/dbraw/zinc/21/11/93/419211193.db2.gz CUBWARBHMCFBIG-UHFFFAOYSA-N -1 3 299.370 3.314 20 0 CGADHM O=C([O-])[C@@H]1CCN([C@@H]2C=CCCC2)[C@@H]2CCCC[C@@H]12 ZINC000656764954 419212358 /nfs/dbraw/zinc/21/23/58/419212358.db2.gz LVUFCVXMNDDBRR-LXTVHRRPSA-N -1 3 263.381 3.060 20 0 CGADHM CCc1noc([N-]Cc2cc3c(cccc3C)[nH]2)n1 ZINC000656775544 419214805 /nfs/dbraw/zinc/21/48/05/419214805.db2.gz WCMRFWFXZNFXEO-UHFFFAOYSA-N -1 3 256.309 3.034 20 0 CGADHM O=c1cc(CN2CC[C@H]2c2ccc(F)cc2)nc(C2CC2)[n-]1 ZINC000661511633 419268543 /nfs/dbraw/zinc/26/85/43/419268543.db2.gz ZOOWJQOAXPZISF-HNNXBMFYSA-N -1 3 299.349 3.146 20 0 CGADHM CC(C)(C)c1ccc(CN(CC(=O)[O-])CC2CC2)s1 ZINC000166277351 572838870 /nfs/dbraw/zinc/83/88/70/572838870.db2.gz CBFJFYPRALJEDT-UHFFFAOYSA-N -1 3 281.421 3.342 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)N(C)C[C@@H]2CCc3ccccc32)n1 ZINC000662195985 419353698 /nfs/dbraw/zinc/35/36/98/419353698.db2.gz DMUHTEQXDCIZBP-HIFRSBDPSA-N -1 3 297.402 3.213 20 0 CGADHM O=C(c1cc([O-])ccc1C(F)(F)F)N1C[C@@H]2CCC[C@@H]2C1 ZINC000189497957 304499575 /nfs/dbraw/zinc/49/95/75/304499575.db2.gz JJIQHSDSMZAIPA-AOOOYVTPSA-N -1 3 299.292 3.283 20 0 CGADHM CSc1nsc([N-]C(=O)c2csc(Cl)c2)n1 ZINC000190455977 287581704 /nfs/dbraw/zinc/58/17/04/287581704.db2.gz DSDFJLKEDSFBIB-UHFFFAOYSA-N -1 3 291.810 3.227 20 0 CGADHM O=C(c1cccc2c1CCC2)N1CCCc2cccc([O-])c21 ZINC000192568742 287602027 /nfs/dbraw/zinc/60/20/27/287602027.db2.gz CCKLSFKWBPQRRR-UHFFFAOYSA-N -1 3 293.366 3.474 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)N(C)CCC2CCCCC2)n1 ZINC000521347730 260083222 /nfs/dbraw/zinc/08/32/22/260083222.db2.gz FQVMPAXVWVNTPQ-CYBMUJFWSA-N -1 3 277.412 3.454 20 0 CGADHM Cc1cc(S(=O)(=O)[N-]C2CCCCC2)sc1Cl ZINC000231808027 260228018 /nfs/dbraw/zinc/22/80/18/260228018.db2.gz BCUKEWVRKFNTCK-UHFFFAOYSA-N -1 3 293.841 3.321 20 0 CGADHM Cc1ccc(C(=O)NCC(C2CC2)C2CC2)c([O-])c1C ZINC000525774137 262195825 /nfs/dbraw/zinc/19/58/25/262195825.db2.gz OIZJCHQXVCRUAB-UHFFFAOYSA-N -1 3 273.376 3.175 20 0 CGADHM CCN(Cc1cccs1)C(=O)c1ccc(OC)cc1[O-] ZINC000042273555 270032293 /nfs/dbraw/zinc/03/22/93/270032293.db2.gz NTACSJQEYFVKDQ-UHFFFAOYSA-N -1 3 291.372 3.125 20 0 CGADHM Cc1cccc(C(=O)Nc2cccc(F)c2C)c1[O-] ZINC000043322353 270034265 /nfs/dbraw/zinc/03/42/65/270034265.db2.gz LABJLXAYRGYAIZ-UHFFFAOYSA-N -1 3 259.280 3.400 20 0 CGADHM C[C@H](CCc1ccccc1)NC(=O)c1cccc([O-])c1 ZINC000044285923 270035060 /nfs/dbraw/zinc/03/50/60/270035060.db2.gz UBMSXBLIUMQFTM-CYBMUJFWSA-N -1 3 269.344 3.143 20 0 CGADHM O=C(Nc1ccccc1[O-])c1ccccc1OCC1CC1 ZINC000101630832 270044688 /nfs/dbraw/zinc/04/46/88/270044688.db2.gz ICRYOUHUNCTNAO-UHFFFAOYSA-N -1 3 283.327 3.433 20 0 CGADHM COc1cc(C)cc(C(=O)Nc2cccc3[nH]ccc32)c1[O-] ZINC000106914687 270049479 /nfs/dbraw/zinc/04/94/79/270049479.db2.gz ZNSZDWKBOHLXCT-UHFFFAOYSA-N -1 3 296.326 3.443 20 0 CGADHM CC[C@@]1(C)C[C@@H]1C(=O)N1CCCc2cccc([O-])c21 ZINC000182911945 270054531 /nfs/dbraw/zinc/05/45/31/270054531.db2.gz PJKVXVXMLPMAOF-WBMJQRKESA-N -1 3 259.349 3.108 20 0 CGADHM O=C(Nc1ccccc1[O-])c1cc(Br)cs1 ZINC000195305496 270084248 /nfs/dbraw/zinc/08/42/48/270084248.db2.gz UGNOYEDCQQREKH-UHFFFAOYSA-N -1 3 298.161 3.469 20 0 CGADHM O=C([O-])[C@@H](NC/C=C\c1ccccc1)c1ccccc1 ZINC000220027254 270085871 /nfs/dbraw/zinc/08/58/71/270085871.db2.gz AQYMZBKPSAJPJI-BJIFSAINSA-N -1 3 267.328 3.115 20 0 CGADHM CS[C@H]1CCC[C@@H](NC(=O)c2ccc(C)cc2[O-])C1 ZINC000227355148 270086950 /nfs/dbraw/zinc/08/69/50/270086950.db2.gz MRVNMBVRPUKEMR-NEPJUHHUSA-N -1 3 279.405 3.105 20 0 CGADHM [O-]c1cccc(CNC(C2CC2)C2CC2)c1Br ZINC000315778912 270092662 /nfs/dbraw/zinc/09/26/62/270092662.db2.gz WOGWGDCLNBPTRC-UHFFFAOYSA-N -1 3 296.208 3.433 20 0 CGADHM [O-]c1cccc(CNCC2(O)CCCCCC2)c1Cl ZINC000328328534 270095131 /nfs/dbraw/zinc/09/51/31/270095131.db2.gz IQRHDYUGLWVOHG-UHFFFAOYSA-N -1 3 283.799 3.221 20 0 CGADHM Cc1cc(-c2nc(-c3ccc4n[n-]nc4c3)no2)sc1C ZINC000521240112 270101478 /nfs/dbraw/zinc/10/14/78/270101478.db2.gz ZTRCPPWVLFLJFW-UHFFFAOYSA-N -1 3 297.343 3.353 20 0 CGADHM CC1(C(=O)Nc2nnc(-c3cc4ccccc4o3)[n-]2)CCC1 ZINC000521521376 270102124 /nfs/dbraw/zinc/10/21/24/270102124.db2.gz JHWBIEAVZIOVKN-UHFFFAOYSA-N -1 3 296.330 3.347 20 0 CGADHM CC1(C(=O)Nc2nc(-c3cc4ccccc4o3)n[n-]2)CCC1 ZINC000521521376 270102125 /nfs/dbraw/zinc/10/21/25/270102125.db2.gz JHWBIEAVZIOVKN-UHFFFAOYSA-N -1 3 296.330 3.347 20 0 CGADHM CC1(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)CCC1 ZINC000521521376 270102126 /nfs/dbraw/zinc/10/21/26/270102126.db2.gz JHWBIEAVZIOVKN-UHFFFAOYSA-N -1 3 296.330 3.347 20 0 CGADHM Cc1ccccc1-c1cc(=NC(=O)[C@@H](C)C(C)C)[nH][n-]1 ZINC000522212203 270105336 /nfs/dbraw/zinc/10/53/36/270105336.db2.gz SKZVBVUWSZWYGJ-LBPRGKRZSA-N -1 3 271.364 3.038 20 0 CGADHM CCCc1ccc(-c2cc(=NC(=O)C(C)(C)C)[nH][n-]2)cc1 ZINC000522347967 270106064 /nfs/dbraw/zinc/10/60/64/270106064.db2.gz PKIVYCGUBOWJRW-UHFFFAOYSA-N -1 3 285.391 3.436 20 0 CGADHM C[C@H]1CCC[C@H](CC[N-]S(=O)(=O)c2cccs2)C1 ZINC000523735471 270110870 /nfs/dbraw/zinc/11/08/70/270110870.db2.gz NTADYHNLRKIUTC-NWDGAFQWSA-N -1 3 287.450 3.243 20 0 CGADHM CCc1cccc(-c2nc([C@H]3CC[C@H](C)O3)no2)c1[O-] ZINC000528235697 270159162 /nfs/dbraw/zinc/15/91/62/270159162.db2.gz LBQWEUHKEXQLBM-JOYOIKCWSA-N -1 3 274.320 3.245 20 0 CGADHM C[C@@H]1C[C@@H](C)N(C(=O)c2cc([O-])cc(Br)c2)C1 ZINC000528640628 270169350 /nfs/dbraw/zinc/16/93/50/270169350.db2.gz MFYJNVSBESMNIP-RKDXNWHRSA-N -1 3 298.180 3.025 20 0 CGADHM C[C@@H]1C[C@H](C)CN1C(=O)c1cc([O-])cc(Br)c1 ZINC000528640623 270169386 /nfs/dbraw/zinc/16/93/86/270169386.db2.gz MFYJNVSBESMNIP-DTWKUNHWSA-N -1 3 298.180 3.025 20 0 CGADHM C[C@@H]1[C@@H](C(=O)Nc2ccc(Cl)cc2[O-])[C@@H]1C1CC1 ZINC000528905582 270175743 /nfs/dbraw/zinc/17/57/43/270175743.db2.gz XFZFHJJQKHMJKE-WCDAPOTHSA-N -1 3 265.740 3.276 20 0 CGADHM Cc1ccc([O-])c(NC(=O)C2(C)CCC(F)(F)CC2)n1 ZINC000529202205 270178819 /nfs/dbraw/zinc/17/88/19/270178819.db2.gz FQUDTBCPFAXSEL-UHFFFAOYSA-N -1 3 284.306 3.250 20 0 CGADHM O=C([N-]OCC1CC1)Nc1cccc(C2CCOCC2)c1 ZINC000529262583 270179252 /nfs/dbraw/zinc/17/92/52/270179252.db2.gz VIBNYCMXSUJAFX-UHFFFAOYSA-N -1 3 290.363 3.044 20 0 CGADHM CCc1ccc([O-])c(C(=O)N[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)c1 ZINC000531928180 270210618 /nfs/dbraw/zinc/21/06/18/270210618.db2.gz CYUKTBNAXUOXSZ-BPQIPLTHSA-N -1 3 293.366 3.023 20 0 CGADHM Cc1ccc(C(=O)N2C[C@H](C)[C@H]3CCCC[C@H]32)c([O-])c1 ZINC000248385302 287761531 /nfs/dbraw/zinc/76/15/31/287761531.db2.gz HWJFMHYKYAUXKY-GZBFAFLISA-N -1 3 273.376 3.351 20 0 CGADHM [O-]c1cc(F)cc(CN[C@H]2CCCc3c(O)cccc32)c1 ZINC000334782132 275060794 /nfs/dbraw/zinc/06/07/94/275060794.db2.gz SIESOPAZCUBZEQ-INIZCTEOSA-N -1 3 287.334 3.404 20 0 CGADHM COc1ccccc1/C=C\C(=O)Nc1ccccc1[O-] ZINC000255691871 287877011 /nfs/dbraw/zinc/87/70/11/287877011.db2.gz UNAXOSMBGVOBBB-KHPPLWFESA-N -1 3 269.300 3.053 20 0 CGADHM CC[C@@H]1Cc2ccccc2CN1C(=O)c1cccc([O-])c1 ZINC000345012022 276523258 /nfs/dbraw/zinc/52/32/58/276523258.db2.gz KNGZGLUHRVNZLB-MRXNPFEDSA-N -1 3 281.355 3.369 20 0 CGADHM CC(C)CO[N-]C(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000278868615 287900487 /nfs/dbraw/zinc/90/04/87/287900487.db2.gz VCQAXBRJDASGGX-RKDXNWHRSA-N -1 3 273.785 3.209 20 0 CGADHM C[C@@H](C(=O)N1CC[C@H](C)c2cccc([O-])c21)C1CC1 ZINC000186272383 277545829 /nfs/dbraw/zinc/54/58/29/277545829.db2.gz SKRRQMHDWRZQON-WDEREUQCSA-N -1 3 259.349 3.279 20 0 CGADHM Cc1cccc(C(=O)NCC2(C3CC3)CCC2)c1[O-] ZINC000393629099 287999707 /nfs/dbraw/zinc/99/97/07/287999707.db2.gz DUVXPSXBHLXRIW-UHFFFAOYSA-N -1 3 259.349 3.011 20 0 CGADHM CC(C)c1ccc2nc(-c3ccc(O)cn3)[n-]c(=O)c2c1 ZINC000427443971 278053034 /nfs/dbraw/zinc/05/30/34/278053034.db2.gz XSUBFIKBLAFLOS-UHFFFAOYSA-N -1 3 281.315 3.226 20 0 CGADHM Cc1ccc(C(=O)N2CCC[C@H]2CC(C)C)c([O-])c1 ZINC000396787312 288016541 /nfs/dbraw/zinc/01/65/41/288016541.db2.gz VPKBGABZMNCJMV-ZDUSSCGKSA-N -1 3 261.365 3.351 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CCC[C@@]3(CCSC3)C2)c1 ZINC000334754295 278835428 /nfs/dbraw/zinc/83/54/28/278835428.db2.gz ZLRWTIBRXZVMET-MRXNPFEDSA-N -1 3 291.416 3.060 20 0 CGADHM O=C([N-]c1c(F)cc(F)cc1F)c1occ2c1CCC2 ZINC000336427803 280003770 /nfs/dbraw/zinc/00/37/70/280003770.db2.gz CHGSBCMONDRZMP-UHFFFAOYSA-N -1 3 281.233 3.438 20 0 CGADHM O=C([C@@H]1Cc2ccccc21)N1CCCc2cccc([O-])c21 ZINC000090984975 280117473 /nfs/dbraw/zinc/11/74/73/280117473.db2.gz UTUQSTZUXWHKFR-OAHLLOKOSA-N -1 3 279.339 3.011 20 0 CGADHM Cc1cc(C(=O)[N-]c2nc3c(cccc3C)s2)on1 ZINC000012869903 280373816 /nfs/dbraw/zinc/37/38/16/280373816.db2.gz AZBPRYTXIVRDPC-UHFFFAOYSA-N -1 3 273.317 3.153 20 0 CGADHM O=C(Nc1ncccc1[O-])[C@H]1CC[C@@H]1c1ccc(F)cc1 ZINC000529008628 288228981 /nfs/dbraw/zinc/22/89/81/288228981.db2.gz LKYNMSWVHUWFHP-OLZOCXBDSA-N -1 3 286.306 3.059 20 0 CGADHM Cc1ccc(C(=O)Nc2c3c(nn2C(C)C)CCC3)c([O-])c1 ZINC000436853356 280787296 /nfs/dbraw/zinc/78/72/96/280787296.db2.gz CPCDFGCAQWLMNU-UHFFFAOYSA-N -1 3 299.374 3.219 20 0 CGADHM C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)N1Cc1ccccc1Cl ZINC000530174576 288293510 /nfs/dbraw/zinc/29/35/10/288293510.db2.gz LWRUIDRQSMALOA-PTEHBNRSSA-N -1 3 281.783 3.414 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)CC2CCC(=O)CC2)c1[O-] ZINC000530559186 288310711 /nfs/dbraw/zinc/31/07/11/288310711.db2.gz YMBYCOPMTFGVPU-UHFFFAOYSA-N -1 3 295.766 3.442 20 0 CGADHM COc1ccccc1C(C)(C)C(=O)Nc1ccccc1[O-] ZINC000532641192 288367450 /nfs/dbraw/zinc/36/74/50/288367450.db2.gz HDYWPAQDRTWZIC-UHFFFAOYSA-N -1 3 285.343 3.317 20 0 CGADHM Cc1nc2ccc(C(=O)Nc3nc(C)ccc3[O-])cc2s1 ZINC000432674604 282060904 /nfs/dbraw/zinc/06/09/04/282060904.db2.gz CETAMQJQZTVNCF-UHFFFAOYSA-N -1 3 299.355 3.266 20 0 CGADHM CC1([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)CCCC1 ZINC000533712673 288392229 /nfs/dbraw/zinc/39/22/29/288392229.db2.gz WEVOSCSHXQQELF-UHFFFAOYSA-N -1 3 291.775 3.090 20 0 CGADHM Cc1cccc2c1CC[C@@H]2NC(=O)c1cccc([O-])c1 ZINC000541887271 288725504 /nfs/dbraw/zinc/72/55/04/288725504.db2.gz OKTJIWMJNRBXBG-INIZCTEOSA-N -1 3 267.328 3.118 20 0 CGADHM CC1(C)CC(C[N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000548046586 288985995 /nfs/dbraw/zinc/98/59/95/288985995.db2.gz JDQIXHNDWXHLMT-UHFFFAOYSA-N -1 3 293.841 3.116 20 0 CGADHM [O-]c1ccc(Cc2nc(CCC3CC3)no2)c(Cl)c1 ZINC000548598134 289012631 /nfs/dbraw/zinc/01/26/31/289012631.db2.gz IVAMGLUDTKOLMW-UHFFFAOYSA-N -1 3 278.739 3.362 20 0 CGADHM O=C(Nc1c([O-])cccc1Cl)c1ccsc1 ZINC000552782354 289198925 /nfs/dbraw/zinc/19/89/25/289198925.db2.gz IFGFMSBLMORXSV-UHFFFAOYSA-N -1 3 253.710 3.359 20 0 CGADHM CCc1cc(C(=O)Nc2ccc(F)cc2OC)ccc1[O-] ZINC000553271267 289216729 /nfs/dbraw/zinc/21/67/29/289216729.db2.gz LFFKDWZUAASRFC-UHFFFAOYSA-N -1 3 289.306 3.355 20 0 CGADHM CCc1cc(C(=O)Nc2ccc(OC)c(F)c2)ccc1[O-] ZINC000553344502 289220511 /nfs/dbraw/zinc/22/05/11/289220511.db2.gz ZJGHWGHCUVHZJP-UHFFFAOYSA-N -1 3 289.306 3.355 20 0 CGADHM CCc1cccc(C(=O)N2CC3(CCC3)C[C@H]2C)c1[O-] ZINC000555763646 289360022 /nfs/dbraw/zinc/36/00/22/289360022.db2.gz QMESTHJBBVRFAF-GFCCVEGCSA-N -1 3 273.376 3.359 20 0 CGADHM Cc1ccncc1N(C)C(=O)c1cc([O-])ccc1Cl ZINC000556732027 289404758 /nfs/dbraw/zinc/40/47/58/289404758.db2.gz WQZNLLWSWCOIBQ-UHFFFAOYSA-N -1 3 276.723 3.026 20 0 CGADHM CCc1cc(C(=O)N2CCc3ccccc32)ccc1[O-] ZINC000557481125 289442246 /nfs/dbraw/zinc/44/22/46/289442246.db2.gz IDHMFPXIFMEMPL-UHFFFAOYSA-N -1 3 267.328 3.158 20 0 CGADHM O=C(N=c1cc(-c2ccccc2)[n-][nH]1)C1CCCCCC1 ZINC000558780369 289519425 /nfs/dbraw/zinc/51/94/25/289519425.db2.gz VSLHZBYLNXUCSF-UHFFFAOYSA-N -1 3 283.375 3.408 20 0 CGADHM Cc1ccc([O-])c(C(=O)N[C@@H]2C[C@@H]2c2cccc(F)c2)c1 ZINC000560608148 289609555 /nfs/dbraw/zinc/60/95/55/289609555.db2.gz RVPYTBIYNATKCQ-UKRRQHHQSA-N -1 3 285.318 3.126 20 0 CGADHM CC1=CCCN(Cc2cc([O-])ccc2Br)C1 ZINC000437345830 528104424 /nfs/dbraw/zinc/10/44/24/528104424.db2.gz JSZFZCHQSQVMHZ-UHFFFAOYSA-N -1 3 282.181 3.307 20 0 CGADHM C[C@H](CC(=O)[O-])NCc1cc(Cl)ccc1OCC1CC1 ZINC000414637414 533698840 /nfs/dbraw/zinc/69/88/40/533698840.db2.gz MINJXEUXZRBXCG-SNVBAGLBSA-N -1 3 297.782 3.082 20 0 CGADHM CC(=O)Nc1ccc(C)c(C(=O)Nc2ccc(C)cc2[O-])c1 ZINC000187111282 327708895 /nfs/dbraw/zinc/70/88/95/327708895.db2.gz BWDJNDYVQSAOJT-UHFFFAOYSA-N -1 3 298.342 3.220 20 0 CGADHM CC1(C)C[C@@H]1C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000157258416 321792864 /nfs/dbraw/zinc/79/28/64/321792864.db2.gz JBASEDCJZMWXSB-SECBINFHSA-N -1 3 273.254 3.396 20 0 CGADHM O=C(Nc1c([O-])cccc1Cl)[C@@H]1CCCSC1 ZINC000563399369 321994978 /nfs/dbraw/zinc/99/49/78/321994978.db2.gz WODBEWBDMWHFIX-MRVPVSSYSA-N -1 3 271.769 3.127 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CC(C3CCCCC3)C2)c1 ZINC000564006396 322018076 /nfs/dbraw/zinc/01/80/76/322018076.db2.gz YXSUJGBNCXLRPK-UHFFFAOYSA-N -1 3 273.376 3.353 20 0 CGADHM C[C@H](C(=O)[O-])N(Cc1ccc(Cl)cc1F)C1CCC1 ZINC000564586095 322035854 /nfs/dbraw/zinc/03/58/54/322035854.db2.gz OTDMDKNAWFNXLN-SECBINFHSA-N -1 3 285.746 3.307 20 0 CGADHM O=C([O-])[C@H](c1ccsc1)N1CCC(C(F)(F)F)CC1 ZINC000564660483 322038116 /nfs/dbraw/zinc/03/81/16/322038116.db2.gz GTAHTWBKFHKOIT-JTQLQIEISA-N -1 3 293.310 3.148 20 0 CGADHM C[C@H]1C[C@@H](C(C)(C)C)CCN1C(=O)Cc1cncc([O-])c1 ZINC000564738181 322041016 /nfs/dbraw/zinc/04/10/16/322041016.db2.gz ZMLFAFLQQAPDJG-JSGCOSHPSA-N -1 3 290.407 3.003 20 0 CGADHM COc1cc(C(=O)N[C@@H]2CCC[C@H](C3CC3)C2)ccc1[O-] ZINC000564875391 322047358 /nfs/dbraw/zinc/04/73/58/322047358.db2.gz HVKUPFGPNLYVHM-GXTWGEPZSA-N -1 3 289.375 3.099 20 0 CGADHM CC[C@H](c1ccc(F)cc1F)N1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC000564966542 322051329 /nfs/dbraw/zinc/05/13/29/322051329.db2.gz NUPAVFGFQKDQSM-PSOPSSQASA-N -1 3 297.345 3.459 20 0 CGADHM Cc1ccccc1C[C@@H](C)N(C)Cc1cc(C(=O)[O-])co1 ZINC000565108034 322060889 /nfs/dbraw/zinc/06/08/89/322060889.db2.gz UJBIOGSWYSFYRB-CYBMUJFWSA-N -1 3 287.359 3.349 20 0 CGADHM C[C@H](CC(F)F)C(=O)Nc1c([O-])cccc1Cl ZINC000565551137 322081970 /nfs/dbraw/zinc/08/19/70/322081970.db2.gz VLGIZHKEXXPLRD-ZCFIWIBFSA-N -1 3 263.671 3.275 20 0 CGADHM CCSCC[C@@H](C)N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC000565721761 322088550 /nfs/dbraw/zinc/08/85/50/322088550.db2.gz VEKUASVFCMEZBD-SNVBAGLBSA-N -1 3 285.409 3.250 20 0 CGADHM Cc1ccc(NC(=O)[C@H]2CCCCCC(=O)C2)c([O-])c1 ZINC000567008853 322146412 /nfs/dbraw/zinc/14/64/12/322146412.db2.gz YHYVUDJMVQRPMH-LBPRGKRZSA-N -1 3 275.348 3.179 20 0 CGADHM O=C([O-])c1cnccc1N1CCC(c2ccccc2)CC1 ZINC000567981749 322186682 /nfs/dbraw/zinc/18/66/82/322186682.db2.gz XFRKIPUKILJJRJ-UHFFFAOYSA-N -1 3 282.343 3.164 20 0 CGADHM C[C@H](CNCc1ccc(-c2ccc(Cl)cc2)o1)C(=O)[O-] ZINC000568372302 322206150 /nfs/dbraw/zinc/20/61/50/322206150.db2.gz KDTYKLNRFQLVNM-SNVBAGLBSA-N -1 3 293.750 3.410 20 0 CGADHM Cc1nc(S(=O)(=O)[C@H](C)c2ccc(Cl)cc2)[n-]c1C ZINC000568653427 322217715 /nfs/dbraw/zinc/21/77/15/322217715.db2.gz CJEQTRAVJKLYSN-SNVBAGLBSA-N -1 3 298.795 3.215 20 0 CGADHM O=C([O-])c1sccc1CN1CCC[C@@H]1c1ccco1 ZINC000570456846 322274051 /nfs/dbraw/zinc/27/40/51/322274051.db2.gz NXDVLFSLMZAXCK-LLVKDONJSA-N -1 3 277.345 3.376 20 0 CGADHM C[C@@H]1CC(NC(=O)c2c[n-]nc2-c2ccccn2)C[C@@H](C)C1 ZINC000572329082 322331502 /nfs/dbraw/zinc/33/15/02/322331502.db2.gz XTFQCDCHGJJFHD-RYUDHWBXSA-N -1 3 298.390 3.026 20 0 CGADHM CCc1[n-][nH]c(=NC(=O)C(CC)(CC)c2ccccc2)c1C ZINC000573338589 322383291 /nfs/dbraw/zinc/38/32/91/322383291.db2.gz RZMYLFGBDHVURR-UHFFFAOYSA-N -1 3 299.418 3.399 20 0 CGADHM CC(=O)c1cccc(NC(=O)[C@]2(C)CCC[C@H]2C)c1[O-] ZINC000573492436 322390499 /nfs/dbraw/zinc/39/04/99/322390499.db2.gz FHLHEMYTNZIUNX-QLJPJBMISA-N -1 3 275.348 3.360 20 0 CGADHM CC(=O)c1cccc(NC(=O)[C@@]2(C)CCC[C@H]2C)c1[O-] ZINC000573492433 322390598 /nfs/dbraw/zinc/39/05/98/322390598.db2.gz FHLHEMYTNZIUNX-HWPZZCPQSA-N -1 3 275.348 3.360 20 0 CGADHM CC(C)Oc1ccc([C@@H](C)NCc2ncccc2[O-])cc1 ZINC000573525818 322392848 /nfs/dbraw/zinc/39/28/48/322392848.db2.gz KJYQGJCBLVRISL-CYBMUJFWSA-N -1 3 286.375 3.425 20 0 CGADHM CCc1cccc(C(=O)N2CC3(CCC3)[C@H]2C2CC2)c1[O-] ZINC000575632405 322486368 /nfs/dbraw/zinc/48/63/68/322486368.db2.gz VDASYYJMFCLFSR-MRXNPFEDSA-N -1 3 285.387 3.359 20 0 CGADHM [O-]c1cccnc1CSc1nnc(-c2ccccc2)o1 ZINC000582829460 329275023 /nfs/dbraw/zinc/27/50/23/329275023.db2.gz IKSSXLZMAUEIFU-UHFFFAOYSA-N -1 3 285.328 3.130 20 0 CGADHM C[C@@H]1CN(Cc2ccc(F)c(Cl)c2)C[C@]1(C)C(=O)[O-] ZINC000583209034 329366963 /nfs/dbraw/zinc/36/69/63/329366963.db2.gz AOIGTQXQIYQYTE-OTYXRUKQSA-N -1 3 285.746 3.022 20 0 CGADHM C[C@@H]1CCN(C/C=C/c2ccc(F)c(F)c2)C[C@@H]1C(=O)[O-] ZINC000580445337 330139347 /nfs/dbraw/zinc/13/93/47/330139347.db2.gz SVRZLIBEXNSYTJ-KTTDLOKESA-N -1 3 295.329 3.021 20 0 CGADHM Cc1ccc(C(=O)Nc2cc(F)ccc2[O-])s1 ZINC000174898469 335168871 /nfs/dbraw/zinc/16/88/71/335168871.db2.gz RLOBQJCANWPHMT-UHFFFAOYSA-N -1 3 251.282 3.154 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])[C@H]1CSc2ccccc21 ZINC000174892585 335168975 /nfs/dbraw/zinc/16/89/75/335168975.db2.gz ZTLKYTUGFFTYBN-NSHDSACASA-N -1 3 289.331 3.359 20 0 CGADHM CCC[C@@H](NC(=O)Cc1cncc([O-])c1)C1CCCCC1 ZINC000576648842 335231181 /nfs/dbraw/zinc/23/11/81/335231181.db2.gz UGZPRMBCZRTGRL-MRXNPFEDSA-N -1 3 290.407 3.195 20 0 CGADHM CC(C)[C@@H](C(=O)Nc1cccc([O-])c1F)c1cccnc1 ZINC000577454222 335353756 /nfs/dbraw/zinc/35/37/56/335353756.db2.gz IEOGPFUAEBVAFX-CQSZACIVSA-N -1 3 288.322 3.305 20 0 CGADHM CCCN(C[C@@H]1CCCCO1)[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC000577521645 335364432 /nfs/dbraw/zinc/36/44/32/335364432.db2.gz LMTGYAOUXRBWBJ-STQMWFEESA-N -1 3 295.379 3.320 20 0 CGADHM CCCC[C@@H](C(=O)[O-])N1CCC[C@@H]1c1ccc(C)o1 ZINC000577521689 335364441 /nfs/dbraw/zinc/36/44/41/335364441.db2.gz NIHRWRCDGLGDGV-OLZOCXBDSA-N -1 3 265.353 3.368 20 0 CGADHM CC(C)(CC(=O)[O-])NCc1ccc(Cl)cc1Cl ZINC000577623188 335380759 /nfs/dbraw/zinc/38/07/59/335380759.db2.gz IFZUPQJEMSWOFK-UHFFFAOYSA-N -1 3 276.163 3.336 20 0 CGADHM O=c1cc(CSc2ncccc2Cl)nc(C2CC2)[n-]1 ZINC000577718853 335391780 /nfs/dbraw/zinc/39/17/80/335391780.db2.gz CPBYOAVLMICWCF-UHFFFAOYSA-N -1 3 293.779 3.400 20 0 CGADHM Cc1cccc([O-])c1NC(=O)Cc1ccc(F)cc1F ZINC000183055825 335859253 /nfs/dbraw/zinc/85/92/53/335859253.db2.gz IBPMQVNWZIJYDH-UHFFFAOYSA-N -1 3 277.270 3.160 20 0 CGADHM [O-]c1cc(F)cc(CNc2ccc3c(c2)COC3)c1 ZINC000185616706 335954368 /nfs/dbraw/zinc/95/43/68/335954368.db2.gz FJIJNXMNGJDMNG-UHFFFAOYSA-N -1 3 259.280 3.174 20 0 CGADHM Cc1cc(NC(=O)c2n[n-]nc2-c2ccccc2)ccc1F ZINC000194181347 336008194 /nfs/dbraw/zinc/00/81/94/336008194.db2.gz BSFOHSCMYIHOBW-UHFFFAOYSA-N -1 3 296.305 3.172 20 0 CGADHM [O-]c1cccnc1CN1CCC(COc2ccccc2)CC1 ZINC000581277556 336035532 /nfs/dbraw/zinc/03/55/32/336035532.db2.gz MAHGUTHFQOEAOP-UHFFFAOYSA-N -1 3 298.386 3.078 20 0 CGADHM Cc1cc(C(=O)NCC(C)(C)C2CCC2)ccc1[O-] ZINC000384871556 336133363 /nfs/dbraw/zinc/13/33/63/336133363.db2.gz RGASIULUPQNAKS-UHFFFAOYSA-N -1 3 261.365 3.257 20 0 CGADHM CCN(Cc1cc(C(=O)[O-])ccc1F)C1CCCC1 ZINC000062751938 521287584 /nfs/dbraw/zinc/28/75/84/521287584.db2.gz LNIBFFWAQRVUJP-UHFFFAOYSA-N -1 3 265.328 3.288 20 0 CGADHM CS[C@@H](C)CCC(=O)Nc1cc(F)ccc1[O-] ZINC000358695031 533905298 /nfs/dbraw/zinc/90/52/98/533905298.db2.gz GHFTZBYNWCBFBA-QMMMGPOBSA-N -1 3 257.330 3.002 20 0 CGADHM C[C@@H](CNC(=O)c1ccccc1[O-])c1ccc(F)cc1 ZINC000436723079 534045907 /nfs/dbraw/zinc/04/59/07/534045907.db2.gz SBECBODSJSXZAI-NSHDSACASA-N -1 3 273.307 3.065 20 0 CGADHM C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)Cc1ccc([O-])c(F)c1 ZINC000448961735 534080937 /nfs/dbraw/zinc/08/09/37/534080937.db2.gz NTLAPEQHGQTFIY-ADLMAVQZSA-N -1 3 299.345 3.124 20 0 CGADHM Cc1cc[nH]c1C(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000436159006 534157672 /nfs/dbraw/zinc/15/76/72/534157672.db2.gz ZAKNDUWASKJEPE-UHFFFAOYSA-N -1 3 284.237 3.300 20 0 CGADHM Cc1ccc(-c2nnc(NC(=O)C3=CCCCCC3)[n-]2)o1 ZINC000355010699 534199917 /nfs/dbraw/zinc/19/99/17/534199917.db2.gz JLDARUDSGLPCAE-UHFFFAOYSA-N -1 3 286.335 3.202 20 0 CGADHM Cc1ccc(-c2n[n-]c(NC(=O)C3=CCCCCC3)n2)o1 ZINC000355010699 534199925 /nfs/dbraw/zinc/19/99/25/534199925.db2.gz JLDARUDSGLPCAE-UHFFFAOYSA-N -1 3 286.335 3.202 20 0 CGADHM Cc1ccc(-c2nc(NC(=O)C3=CCCCCC3)n[n-]2)o1 ZINC000355010699 534199929 /nfs/dbraw/zinc/19/99/29/534199929.db2.gz JLDARUDSGLPCAE-UHFFFAOYSA-N -1 3 286.335 3.202 20 0 CGADHM Cc1ccc(-c2nnc(NC(=O)[C@@H]3CCCC[C@H]3C)[n-]2)o1 ZINC000425201779 534200239 /nfs/dbraw/zinc/20/02/39/534200239.db2.gz OHMNDKGYGZNRPS-MWLCHTKSSA-N -1 3 288.351 3.138 20 0 CGADHM Cc1ccc(-c2n[n-]c(NC(=O)[C@@H]3CCCC[C@H]3C)n2)o1 ZINC000425201779 534200245 /nfs/dbraw/zinc/20/02/45/534200245.db2.gz OHMNDKGYGZNRPS-MWLCHTKSSA-N -1 3 288.351 3.138 20 0 CGADHM Cc1ccc(-c2nc(NC(=O)[C@@H]3CCCC[C@H]3C)n[n-]2)o1 ZINC000425201779 534200250 /nfs/dbraw/zinc/20/02/50/534200250.db2.gz OHMNDKGYGZNRPS-MWLCHTKSSA-N -1 3 288.351 3.138 20 0 CGADHM COc1ccc([O-])c2nc(/C=C/c3c(C)n[nH]c3C)ccc12 ZINC000358667342 534205779 /nfs/dbraw/zinc/20/57/79/534205779.db2.gz ZTSGQCKXDIIDCY-GQCTYLIASA-N -1 3 295.342 3.459 20 0 CGADHM Cc1ccc(C(=O)NCCc2cccc3[nH]ccc32)c([O-])c1 ZINC000436515765 534266719 /nfs/dbraw/zinc/26/67/19/534266719.db2.gz WKEVSQWOKYNHSO-UHFFFAOYSA-N -1 3 294.354 3.154 20 0 CGADHM CC1(C)CCCC[C@H]1NC(=O)NCc1ccc([O-])c(F)c1 ZINC000151811830 520317939 /nfs/dbraw/zinc/31/79/39/520317939.db2.gz ZTDNJQGEGJLOTD-CQSZACIVSA-N -1 3 294.370 3.299 20 0 CGADHM O=C([O-])[C@@H](NCc1cccc2cc[nH]c21)c1ccccc1F ZINC000426796284 534515513 /nfs/dbraw/zinc/51/55/13/534515513.db2.gz BLDMHHSHPUTAIT-INIZCTEOSA-N -1 3 298.317 3.223 20 0 CGADHM O=C([O-])[C@@H](NCc1ccc(Cl)cc1)c1cccs1 ZINC000426805582 534516504 /nfs/dbraw/zinc/51/65/04/534516504.db2.gz CTLFDFQFTHOMRU-LBPRGKRZSA-N -1 3 281.764 3.317 20 0 CGADHM O=C([O-])[C@H](NCc1coc2ccccc12)c1ccc(O)cc1 ZINC000426796973 534532230 /nfs/dbraw/zinc/53/22/30/534532230.db2.gz DAESIAIGBUVQQJ-MRXNPFEDSA-N -1 3 297.310 3.054 20 0 CGADHM CCOc1cccc(CNCc2cc([O-])cc(F)c2)c1 ZINC000184139683 521368552 /nfs/dbraw/zinc/36/85/52/521368552.db2.gz UXAFNAJBTAMFJM-UHFFFAOYSA-N -1 3 275.323 3.220 20 0 CGADHM Cc1cccc(C(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)c1[O-] ZINC000436562260 534618845 /nfs/dbraw/zinc/61/88/45/534618845.db2.gz AANGFIFOWKTENB-BFHYXJOUSA-N -1 3 273.376 3.399 20 0 CGADHM CCc1onc(C)c1[N-]C(=O)c1cc(C)c(F)cc1F ZINC000089394031 523059950 /nfs/dbraw/zinc/05/99/50/523059950.db2.gz SQJRCVQYHJCGAV-UHFFFAOYSA-N -1 3 280.274 3.384 20 0 CGADHM COc1ccc(C(=O)N(C(C)C)C2CCCC2)c([O-])c1 ZINC000103372002 523597761 /nfs/dbraw/zinc/59/77/61/523597761.db2.gz LJRIMMWGNRSJFY-UHFFFAOYSA-N -1 3 277.364 3.194 20 0 CGADHM Cc1cc(C)c2[n-]cc(C(=O)N(C)CC3CCC3)c(=O)c2c1 ZINC000163466124 524352574 /nfs/dbraw/zinc/35/25/74/524352574.db2.gz UJLXFYNYBTVVRF-UHFFFAOYSA-N -1 3 298.386 3.429 20 0 CGADHM COc1ccc([O-])c(C(=O)N(C(C)C)C2CCCC2)c1 ZINC000103371621 524724821 /nfs/dbraw/zinc/72/48/21/524724821.db2.gz PDJINYPJXBYPHI-UHFFFAOYSA-N -1 3 277.364 3.194 20 0 CGADHM C[C@@H](N[C@@H](C)c1cc(F)c(Cl)cc1Cl)C(=O)[O-] ZINC000049357505 525604721 /nfs/dbraw/zinc/60/47/21/525604721.db2.gz IUVHLYWITKVTQD-NTSWFWBYSA-N -1 3 280.126 3.256 20 0 CGADHM Cc1ccc([C@@H](C)NCc2nc(C)ccc2[O-])cc1 ZINC000103343087 525736404 /nfs/dbraw/zinc/73/64/04/525736404.db2.gz HSDKVJNBVCIKMM-CYBMUJFWSA-N -1 3 256.349 3.255 20 0 CGADHM C/C=C\c1ccc(NC(=O)c2ccc(C(=O)OC)[n-]2)cc1 ZINC000354938693 526341878 /nfs/dbraw/zinc/34/18/78/526341878.db2.gz DVWYPBXSAWZDPL-ARJAWSKDSA-N -1 3 284.315 3.087 20 0 CGADHM [O-]c1cccc(CN[C@@H]2CCO[C@H](C3CC3)C2)c1Cl ZINC000339352280 526361211 /nfs/dbraw/zinc/36/12/11/526361211.db2.gz LLOBEWRAYLROAS-OCCSQVGLSA-N -1 3 281.783 3.093 20 0 CGADHM CC(C)(C)[C@H]1CCC[C@@H]1NC(=O)c1cccc([O-])c1 ZINC000413989645 526726120 /nfs/dbraw/zinc/72/61/20/526726120.db2.gz MOPKLEYHOIQMJV-KBPBESRZSA-N -1 3 261.365 3.337 20 0 CGADHM CC(=O)c1ccc(C(=O)N(C)[C@@H]2CCC[C@@H](C)C2)cc1[O-] ZINC000411358689 527235258 /nfs/dbraw/zinc/23/52/58/527235258.db2.gz TTYWWDYNJGUYPA-BXUZGUMPSA-N -1 3 289.375 3.246 20 0 CGADHM CC(=O)c1ccc(C(=O)N[C@@H]2CC[C@@H](C)C[C@H]2C)cc1[O-] ZINC000412111078 527262140 /nfs/dbraw/zinc/26/21/40/527262140.db2.gz FOOXRDBTKBHWCX-UEKVPHQBSA-N -1 3 289.375 3.149 20 0 CGADHM CC(C)(C)C[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436541685 527703890 /nfs/dbraw/zinc/70/38/90/527703890.db2.gz ZBSFANZNKRKABO-GFCCVEGCSA-N -1 3 261.365 3.433 20 0 CGADHM CCO[C@@H](CCNC(=O)c1ccc([O-])c(CC)c1)C(C)C ZINC000436698975 527727416 /nfs/dbraw/zinc/72/74/16/527727416.db2.gz OKSLIZFDYGHHBQ-INIZCTEOSA-N -1 3 293.407 3.136 20 0 CGADHM CCC1(C[N-]S(=O)(=O)c2ccc(C)o2)CCCCC1 ZINC000358194890 527750482 /nfs/dbraw/zinc/75/04/82/527750482.db2.gz JOOQNKFASBGRDX-UHFFFAOYSA-N -1 3 285.409 3.227 20 0 CGADHM CC(C)CCOCCSc1n[n-]c(-c2ccccn2)n1 ZINC000117116118 527760552 /nfs/dbraw/zinc/76/05/52/527760552.db2.gz RWTROCXYJWULMU-UHFFFAOYSA-N -1 3 292.408 3.022 20 0 CGADHM CC(C)c1ccc(C(=O)N(C)CC2CCOCC2)c([O-])c1 ZINC000436676213 528058421 /nfs/dbraw/zinc/05/84/21/528058421.db2.gz OEYXZXIJLFMVLZ-UHFFFAOYSA-N -1 3 291.391 3.014 20 0 CGADHM CCC[C@H](C)c1cc(NC(=O)c2cccc(C)c2[O-])n[nH]1 ZINC000439920320 528083849 /nfs/dbraw/zinc/08/38/49/528083849.db2.gz MROBIJAZNCKFPB-JTQLQIEISA-N -1 3 287.363 3.002 20 0 CGADHM CCCCC[C@H]1CCCN1C(=O)c1ccc(O)cc1[O-] ZINC000436621549 528273725 /nfs/dbraw/zinc/27/37/25/528273725.db2.gz AIKGVROZZDAFIH-LBPRGKRZSA-N -1 3 277.364 3.283 20 0 CGADHM CCC[C@]1(C)CCCN(C(=O)c2cc(OC)ccc2[O-])C1 ZINC000173243538 528500288 /nfs/dbraw/zinc/50/02/88/528500288.db2.gz NEJOWDLWMNCTFL-QGZVFWFLSA-N -1 3 291.391 3.443 20 0 CGADHM CCOCC(C)(C)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000355101130 528577827 /nfs/dbraw/zinc/57/78/27/528577827.db2.gz HSHLPRQKNNRRCF-UHFFFAOYSA-N -1 3 287.359 3.090 20 0 CGADHM CCCCOc1ccc(C(=O)N2C[C@H](C)[C@H](C)C2)c([O-])c1 ZINC000436989800 528661949 /nfs/dbraw/zinc/66/19/49/528661949.db2.gz SGADUBMCAHBAMC-BETUJISGSA-N -1 3 291.391 3.299 20 0 CGADHM CCOc1cccc([C@H]2C[C@H]2NC(=O)c2ccccc2[O-])c1 ZINC000436699626 528691133 /nfs/dbraw/zinc/69/11/33/528691133.db2.gz VRTWLQRRPJLQQO-HZPDHXFCSA-N -1 3 297.354 3.077 20 0 CGADHM CCOc1cccnc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000178146671 528765281 /nfs/dbraw/zinc/76/52/81/528765281.db2.gz JNIIEKNTQDFDGQ-UHFFFAOYSA-N -1 3 292.722 3.092 20 0 CGADHM CCC(CC)SCC(=O)Nc1ccccc1[O-] ZINC000358929721 528807649 /nfs/dbraw/zinc/80/76/49/528807649.db2.gz VOSCXIUDXJTLRG-UHFFFAOYSA-N -1 3 253.367 3.253 20 0 CGADHM CCN(C(=O)c1ccc(C)cc1[O-])[C@@H](C)c1cccnc1 ZINC000115227775 529081432 /nfs/dbraw/zinc/08/14/32/529081432.db2.gz WOCMORSAVPCNJW-ZDUSSCGKSA-N -1 3 284.359 3.319 20 0 CGADHM CCO[N-]C(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000173023360 529086538 /nfs/dbraw/zinc/08/65/38/529086538.db2.gz BLTQNDMNEZWMDD-QWRGUYRKSA-N -1 3 274.147 3.165 20 0 CGADHM CCS[C@H]1CC[C@H](N(C)C(=O)c2ccc([O-])c(C)c2)C1 ZINC000436927489 529234395 /nfs/dbraw/zinc/23/43/95/529234395.db2.gz OEFJEUJPKYXROJ-KBPBESRZSA-N -1 3 293.432 3.447 20 0 CGADHM CC[C@H](CC(F)(F)F)C(=O)Nc1ccccc1[O-] ZINC000448761738 529312635 /nfs/dbraw/zinc/31/26/35/529312635.db2.gz JUMZPAUJVCSAJU-MRVPVSSYSA-N -1 3 261.243 3.309 20 0 CGADHM CC[C@H](CCC(=O)[O-])NCc1c(F)cc(C)cc1F ZINC000424615566 529322508 /nfs/dbraw/zinc/32/25/08/529322508.db2.gz ILVAZGFQVOVZDR-SNVBAGLBSA-N -1 3 271.307 3.006 20 0 CGADHM CCOc1cc(CN2CCOC[C@H]2CC)cc(Cl)c1[O-] ZINC000459333031 535672631 /nfs/dbraw/zinc/67/26/31/535672631.db2.gz YFHPOPKHTRPUEH-GFCCVEGCSA-N -1 3 299.798 3.055 20 0 CGADHM CCc1cc(C(=O)N2C[C@H](C3CC3)[C@H]2C2CC2)ccc1[O-] ZINC000456257184 536117611 /nfs/dbraw/zinc/11/76/11/536117611.db2.gz QIIPBFQGUOFKKZ-NVXWUHKLSA-N -1 3 285.387 3.215 20 0 CGADHM CO[C@H]1C[C@@H](NCc2cccc([O-])c2Cl)C12CCC2 ZINC000459732385 536803520 /nfs/dbraw/zinc/80/35/20/536803520.db2.gz FWYPFEDJLQYIDH-OLZOCXBDSA-N -1 3 281.783 3.093 20 0 CGADHM CO[N-]C(=O)CCCCc1ccc(C(C)(C)C)cc1 ZINC000726934505 571676949 /nfs/dbraw/zinc/67/69/49/571676949.db2.gz RMUQMTCFKPTNRR-UHFFFAOYSA-N -1 3 263.381 3.375 20 0 CGADHM CCCCc1ccc(C(=O)Nc2ncccc2[O-])cc1 ZINC000022264921 572334589 /nfs/dbraw/zinc/33/45/89/572334589.db2.gz NTPZOWJAYSDBAB-UHFFFAOYSA-N -1 3 270.332 3.382 20 0 CGADHM Cc1ccc(NCc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000737362757 572338783 /nfs/dbraw/zinc/33/87/83/572338783.db2.gz UWWFCXVMVRAEQR-UHFFFAOYSA-N -1 3 279.347 3.096 20 0 CGADHM Cc1ccc(NCc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000737362757 572338786 /nfs/dbraw/zinc/33/87/86/572338786.db2.gz UWWFCXVMVRAEQR-UHFFFAOYSA-N -1 3 279.347 3.096 20 0 CGADHM Clc1cc(-c2nnn[n-]2)cnc1Sc1ccccc1 ZINC000737558231 572348363 /nfs/dbraw/zinc/34/83/63/572348363.db2.gz MBOZGLHMSNSMDN-UHFFFAOYSA-N -1 3 289.751 3.066 20 0 CGADHM Clc1cc(-c2nn[n-]n2)cnc1Sc1ccccc1 ZINC000737558231 572348364 /nfs/dbraw/zinc/34/83/64/572348364.db2.gz MBOZGLHMSNSMDN-UHFFFAOYSA-N -1 3 289.751 3.066 20 0 CGADHM O=C([N-]c1cnoc1)c1sccc1SC(F)F ZINC000730492544 572356390 /nfs/dbraw/zinc/35/63/90/572356390.db2.gz MIVRVEANRWCFAK-UHFFFAOYSA-N -1 3 276.289 3.303 20 0 CGADHM c1ccc2c(c1)SC[C@H]2Nc1ccc(-c2nnn[n-]2)cc1 ZINC000738439658 572376148 /nfs/dbraw/zinc/37/61/48/572376148.db2.gz BDGKTXAIJHCASV-CYBMUJFWSA-N -1 3 295.371 3.126 20 0 CGADHM c1ccc2c(c1)SC[C@H]2Nc1ccc(-c2nn[n-]n2)cc1 ZINC000738439658 572376152 /nfs/dbraw/zinc/37/61/52/572376152.db2.gz BDGKTXAIJHCASV-CYBMUJFWSA-N -1 3 295.371 3.126 20 0 CGADHM C[C@H](CCNCc1c(Cl)cccc1Cl)NC(=O)[O-] ZINC000738906245 572396780 /nfs/dbraw/zinc/39/67/80/572396780.db2.gz OUEXYKFGNGJKAP-MRVPVSSYSA-N -1 3 291.178 3.129 20 0 CGADHM CC[C@H](c1ccc(F)cc1F)N(C)CCCNC(=O)[O-] ZINC000739280911 572408037 /nfs/dbraw/zinc/40/80/37/572408037.db2.gz XJPVYJZTYJGQTM-CYBMUJFWSA-N -1 3 286.322 3.005 20 0 CGADHM O=C([O-])c1cc(F)ccc1CN1CC[C@H](c2ccco2)C1 ZINC000740077180 572430965 /nfs/dbraw/zinc/43/09/65/572430965.db2.gz COJIDRUVLFNGJX-LBPRGKRZSA-N -1 3 289.306 3.106 20 0 CGADHM Cc1ccc(F)c(CN[C@@H](C)[C@@H]2CCCN(C(=O)[O-])C2)c1 ZINC000740127542 572433327 /nfs/dbraw/zinc/43/33/27/572433327.db2.gz OQPXBSXTVAGOJJ-QWHCGFSZSA-N -1 3 294.370 3.002 20 0 CGADHM O=C([O-])c1occc1CN1CC[C@H](c2cccc(F)c2)C1 ZINC000740281995 572438639 /nfs/dbraw/zinc/43/86/39/572438639.db2.gz PNVSZKJJZURERS-LBPRGKRZSA-N -1 3 289.306 3.106 20 0 CGADHM C[C@@H](c1ccccc1Cl)N1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000739058732 572456920 /nfs/dbraw/zinc/45/69/20/572456920.db2.gz MXYJCQRUCJMMFY-NWDGAFQWSA-N -1 3 296.798 3.333 20 0 CGADHM CCc1nnc([C@H](C)OC(=O)c2cc3ccsc3[n-]2)o1 ZINC000732318818 572458945 /nfs/dbraw/zinc/45/89/45/572458945.db2.gz YURDITDTSVDUKG-ZETCQYMHSA-N -1 3 291.332 3.093 20 0 CGADHM CCO[N-]C(=O)C[C@@H](Cc1ccccc1)c1ccccc1 ZINC000742042139 572550407 /nfs/dbraw/zinc/55/04/07/572550407.db2.gz DIIKCIACDUPGDJ-QGZVFWFLSA-N -1 3 283.371 3.471 20 0 CGADHM O=C(OCc1cc(Cl)nc(Cl)c1)c1ccc([O-])cc1 ZINC000733389233 572561092 /nfs/dbraw/zinc/56/10/92/572561092.db2.gz NKDUBANNQIIVSL-UHFFFAOYSA-N -1 3 298.125 3.451 20 0 CGADHM O=C(Nc1n[n-]c(-c2cccs2)n1)C1CCCCCC1 ZINC000726190015 572564855 /nfs/dbraw/zinc/56/48/55/572564855.db2.gz KQYGRDWENFSPHD-UHFFFAOYSA-N -1 3 290.392 3.442 20 0 CGADHM Fc1cc(OCCCc2ccccc2)ccc1-c1nnn[n-]1 ZINC000737654001 572586880 /nfs/dbraw/zinc/58/68/80/572586880.db2.gz VLBAPNDFCCKKQE-UHFFFAOYSA-N -1 3 298.321 3.017 20 0 CGADHM Fc1cc(OCCCc2ccccc2)ccc1-c1nn[n-]n1 ZINC000737654001 572586884 /nfs/dbraw/zinc/58/68/84/572586884.db2.gz VLBAPNDFCCKKQE-UHFFFAOYSA-N -1 3 298.321 3.017 20 0 CGADHM CCCCC[C@H](C)CC(=O)Nc1ncccc1[O-] ZINC000743292425 572646460 /nfs/dbraw/zinc/64/64/60/572646460.db2.gz YNJPDZRGMZUZTQ-NSHDSACASA-N -1 3 250.342 3.332 20 0 CGADHM CCC/C=C/C(=O)Oc1cccc(-c2nc(C)cc(=O)[n-]2)c1 ZINC000744219071 572725723 /nfs/dbraw/zinc/72/57/23/572725723.db2.gz ZMELIXVSCGHGKF-WEVVVXLNSA-N -1 3 298.342 3.419 20 0 CGADHM Cc1cccc([C@@H](C)OC(=O)c2ccc([O-])cc2O)c1 ZINC000736029393 572763656 /nfs/dbraw/zinc/76/36/56/572763656.db2.gz IKZLYGNKDHXADN-LLVKDONJSA-N -1 3 272.300 3.324 20 0 CGADHM C[C@@H]1C[C@@H](C)CN(c2c(Cl)cccc2-c2nnn[n-]2)C1 ZINC000736225465 572773459 /nfs/dbraw/zinc/77/34/59/572773459.db2.gz CKWKHSRHGFPRNL-NXEZZACHSA-N -1 3 291.786 3.002 20 0 CGADHM C[C@@H]1C[C@@H](C)CN(c2c(Cl)cccc2-c2nn[n-]n2)C1 ZINC000736225465 572773461 /nfs/dbraw/zinc/77/34/61/572773461.db2.gz CKWKHSRHGFPRNL-NXEZZACHSA-N -1 3 291.786 3.002 20 0 CGADHM CC(C)(C)SCCN[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000736288064 572778902 /nfs/dbraw/zinc/77/89/02/572778902.db2.gz VDXWTQMHMWPKKY-GFCCVEGCSA-N -1 3 285.384 3.073 20 0 CGADHM CC(C)(CC(=O)[O-])NCc1nc(-c2ccccc2)cs1 ZINC000736316888 572781971 /nfs/dbraw/zinc/78/19/71/572781971.db2.gz GLOKWMFZTGZQKR-UHFFFAOYSA-N -1 3 290.388 3.153 20 0 CGADHM CC[C@H]1CCCN(c2cc(Cl)ccc2-c2nnn[n-]2)C1 ZINC000736403068 572786939 /nfs/dbraw/zinc/78/69/39/572786939.db2.gz RNVBPLAMYZSGLN-JTQLQIEISA-N -1 3 291.786 3.147 20 0 CGADHM CC[C@H]1CCCN(c2cc(Cl)ccc2-c2nn[n-]n2)C1 ZINC000736403068 572786941 /nfs/dbraw/zinc/78/69/41/572786941.db2.gz RNVBPLAMYZSGLN-JTQLQIEISA-N -1 3 291.786 3.147 20 0 CGADHM CC[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000736403957 572787437 /nfs/dbraw/zinc/78/74/37/572787437.db2.gz ZYFGTYSHMSUTSX-NSHDSACASA-N -1 3 289.358 3.022 20 0 CGADHM CC[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000736403957 572787439 /nfs/dbraw/zinc/78/74/39/572787439.db2.gz ZYFGTYSHMSUTSX-NSHDSACASA-N -1 3 289.358 3.022 20 0 CGADHM CCCCN(C)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000736453503 572793673 /nfs/dbraw/zinc/79/36/73/572793673.db2.gz OCCGHWRMEZBQTE-UHFFFAOYSA-N -1 3 299.300 3.122 20 0 CGADHM CCCCN(C)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000736453503 572793676 /nfs/dbraw/zinc/79/36/76/572793676.db2.gz OCCGHWRMEZBQTE-UHFFFAOYSA-N -1 3 299.300 3.122 20 0 CGADHM COc1cccc2cc(C[N-]c3nc(C4CC4)no3)oc21 ZINC000736604003 572801413 /nfs/dbraw/zinc/80/14/13/572801413.db2.gz WZYGPGPCYFOTGJ-UHFFFAOYSA-N -1 3 285.303 3.314 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CCCCCCC2)c1 ZINC000748831094 572986685 /nfs/dbraw/zinc/98/66/85/572986685.db2.gz OOKVMIFKKRWABR-UHFFFAOYSA-N -1 3 261.365 3.361 20 0 CGADHM CCOc1ccc(NC(=O)[N-]OCC(C)C)cc1OCC ZINC000750261952 573106291 /nfs/dbraw/zinc/10/62/91/573106291.db2.gz JEJNWAKHDZPHKM-UHFFFAOYSA-N -1 3 296.367 3.193 20 0 CGADHM C[C@@H](NCCCCCC(=O)[O-])c1nc2c(s1)CCCC2 ZINC000820142172 598162504 /nfs/dbraw/zinc/16/25/04/598162504.db2.gz ODMINIOISOENLL-LLVKDONJSA-N -1 3 296.436 3.318 20 0 CGADHM O=C([O-])c1cccc(CN[C@@H]2CCc3c2cccc3F)c1 ZINC000821551758 598192560 /nfs/dbraw/zinc/19/25/60/598192560.db2.gz ZJWSKJRHHXFTIN-MRXNPFEDSA-N -1 3 285.318 3.301 20 0 CGADHM Cc1ccc(CN(C)Cc2ccc(F)cc2C(=O)[O-])cc1 ZINC000071264704 600082081 /nfs/dbraw/zinc/08/20/81/600082081.db2.gz GQKDRANMVMBLLO-UHFFFAOYSA-N -1 3 287.334 3.464 20 0 CGADHM O=C([O-])[C@@H](N[C@@H]1CCc2ccccc21)c1ccccc1F ZINC000833167727 600734973 /nfs/dbraw/zinc/73/49/73/600734973.db2.gz PRNPWHKKNUTGAA-CVEARBPZSA-N -1 3 285.318 3.229 20 0 CGADHM Cc1[n-]n(-c2cccc3cnccc32)c(=O)c1C(C)C ZINC000899353955 620648919 /nfs/dbraw/zinc/64/89/19/620648919.db2.gz ADXDEOBXMJCBAL-OAHLLOKOSA-N -1 3 267.332 3.230 20 0 CGADHM O=C([O-])[C@H]1c2ccccc2CCN1Cc1cccc(F)c1 ZINC000044466953 601544962 /nfs/dbraw/zinc/54/49/62/601544962.db2.gz ILGRBFBKMBYYCK-MRXNPFEDSA-N -1 3 285.318 3.010 20 0 CGADHM Clc1ccc(NCc2ccc(-c3nnn[n-]3)s2)cc1 ZINC000826352839 607522785 /nfs/dbraw/zinc/52/27/85/607522785.db2.gz PXZWPVNNPJEHJA-UHFFFAOYSA-N -1 3 291.767 3.194 20 0 CGADHM O=C([O-])CN[C@H](c1cccc(F)c1)c1cccc(Cl)c1 ZINC000833252982 602106534 /nfs/dbraw/zinc/10/65/34/602106534.db2.gz CLSRJMPUSDYZPQ-HNNXBMFYSA-N -1 3 293.725 3.243 20 0 CGADHM CCN(CC1CCN(Cc2cccc(F)c2)CC1)C(=O)[O-] ZINC000827098562 603511184 /nfs/dbraw/zinc/51/11/84/603511184.db2.gz CNMALHDFPXXTBI-UHFFFAOYSA-N -1 3 294.370 3.038 20 0 CGADHM C[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2)C[C@H]1C(=O)[O-] ZINC000235344825 604667408 /nfs/dbraw/zinc/66/74/08/604667408.db2.gz USNNMEITOMYBPF-PRHODGIISA-N -1 3 288.174 3.146 20 0 CGADHM CCN(CCN[C@H](C)c1sc(C(C)C)nc1C)C(=O)[O-] ZINC000827151023 604956641 /nfs/dbraw/zinc/95/66/41/604956641.db2.gz RLVOALIFRHAETI-SNVBAGLBSA-N -1 3 299.440 3.225 20 0 CGADHM C[C@@H](N[C@H](C(=O)[O-])c1cccnc1)c1cccc(Cl)c1 ZINC000827717970 604985426 /nfs/dbraw/zinc/98/54/26/604985426.db2.gz NGVGWBHBOAKGSB-YGRLFVJLSA-N -1 3 290.750 3.212 20 0 CGADHM Cc1ccc([C@H](C)N[C@@H](C(=O)[O-])c2cccnc2)c(C)c1 ZINC000832921202 604995227 /nfs/dbraw/zinc/99/52/27/604995227.db2.gz NQVAEOMFMADASJ-XJKSGUPXSA-N -1 3 284.359 3.175 20 0 CGADHM CC(C)N(Cc1ccc(C(=O)[O-])[nH]1)Cc1cccc(F)c1 ZINC000833497786 605103353 /nfs/dbraw/zinc/10/33/53/605103353.db2.gz ITVQAGQGWLJYCE-UHFFFAOYSA-N -1 3 290.338 3.263 20 0 CGADHM CC(C)(C(=O)[O-])[C@@H](NCc1ccccn1)c1ccccc1 ZINC000833412469 605180497 /nfs/dbraw/zinc/18/04/97/605180497.db2.gz ADZHRRVLVBFNBF-HNNXBMFYSA-N -1 3 284.359 3.023 20 0 CGADHM O=C(CC1CCCCCC1)Nc1ccccc1-c1nnn[n-]1 ZINC000822940773 606122473 /nfs/dbraw/zinc/12/24/73/606122473.db2.gz DLOPMFSYYRGDGZ-UHFFFAOYSA-N -1 3 299.378 3.166 20 0 CGADHM O=C(CC1CCCCCC1)Nc1ccccc1-c1nn[n-]n1 ZINC000822940773 606122474 /nfs/dbraw/zinc/12/24/74/606122474.db2.gz DLOPMFSYYRGDGZ-UHFFFAOYSA-N -1 3 299.378 3.166 20 0 CGADHM CCCCCC(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821043250 606341175 /nfs/dbraw/zinc/34/11/75/606341175.db2.gz NPQDLQMWCFCRGY-LLVKDONJSA-N -1 3 288.351 3.051 20 0 CGADHM CCCCCC(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821043250 606341177 /nfs/dbraw/zinc/34/11/77/606341177.db2.gz NPQDLQMWCFCRGY-LLVKDONJSA-N -1 3 288.351 3.051 20 0 CGADHM Cc1cccc(NCc2ccc(-c3nnn[n-]3)s2)c1C ZINC000822324302 606411248 /nfs/dbraw/zinc/41/12/48/606411248.db2.gz ZANVPMVDWAUPAP-UHFFFAOYSA-N -1 3 285.376 3.157 20 0 CGADHM CC(C)Sc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000095200918 606627659 /nfs/dbraw/zinc/62/76/59/606627659.db2.gz MPURNMNQXLXNJT-UHFFFAOYSA-N -1 3 254.746 3.021 20 0 CGADHM CC(C)Sc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000095200918 606627660 /nfs/dbraw/zinc/62/76/60/606627660.db2.gz MPURNMNQXLXNJT-UHFFFAOYSA-N -1 3 254.746 3.021 20 0 CGADHM Cc1cccc(C)c1NCc1cccc(-c2nnn[n-]2)c1 ZINC000095213942 606660870 /nfs/dbraw/zinc/66/08/70/606660870.db2.gz YLMFAVDXBVGFPX-UHFFFAOYSA-N -1 3 279.347 3.096 20 0 CGADHM Cc1cccc(C)c1NCc1cccc(-c2nn[n-]n2)c1 ZINC000095213942 606660871 /nfs/dbraw/zinc/66/08/71/606660871.db2.gz YLMFAVDXBVGFPX-UHFFFAOYSA-N -1 3 279.347 3.096 20 0 CGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000820121665 606668289 /nfs/dbraw/zinc/66/82/89/606668289.db2.gz UKVPCDLAPLIVSB-UHFFFAOYSA-N -1 3 293.374 3.282 20 0 CGADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000820121665 606668290 /nfs/dbraw/zinc/66/82/90/606668290.db2.gz UKVPCDLAPLIVSB-UHFFFAOYSA-N -1 3 293.374 3.282 20 0 CGADHM CC[C@@H](C)CSCc1ccccc1-c1nnn[n-]1 ZINC000820869294 606796166 /nfs/dbraw/zinc/79/61/66/606796166.db2.gz GIQRORNSYCWIKX-SNVBAGLBSA-N -1 3 262.382 3.146 20 0 CGADHM CC[C@@H](C)CSCc1ccccc1-c1nn[n-]n1 ZINC000820869294 606796168 /nfs/dbraw/zinc/79/61/68/606796168.db2.gz GIQRORNSYCWIKX-SNVBAGLBSA-N -1 3 262.382 3.146 20 0 CGADHM FC1(F)CC[C@H](Nc2cc(Cl)ccc2-c2nnn[n-]2)C1 ZINC000822737261 606882271 /nfs/dbraw/zinc/88/22/71/606882271.db2.gz SBQAOILUKUZHLU-QMMMGPOBSA-N -1 3 299.712 3.120 20 0 CGADHM FC1(F)CC[C@H](Nc2cc(Cl)ccc2-c2nn[n-]n2)C1 ZINC000822737261 606882273 /nfs/dbraw/zinc/88/22/73/606882273.db2.gz SBQAOILUKUZHLU-QMMMGPOBSA-N -1 3 299.712 3.120 20 0 CGADHM FC1(F)CC[C@@H](Nc2c(Cl)cccc2-c2nnn[n-]2)C1 ZINC000822737286 606882291 /nfs/dbraw/zinc/88/22/91/606882291.db2.gz SZIUEVOXTAQVCV-SSDOTTSWSA-N -1 3 299.712 3.120 20 0 CGADHM FC1(F)CC[C@@H](Nc2c(Cl)cccc2-c2nn[n-]n2)C1 ZINC000822737286 606882293 /nfs/dbraw/zinc/88/22/93/606882293.db2.gz SZIUEVOXTAQVCV-SSDOTTSWSA-N -1 3 299.712 3.120 20 0 CGADHM Cc1cccc(C)c1NCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822294229 606926119 /nfs/dbraw/zinc/92/61/19/606926119.db2.gz WIDMCBDOFAYKKT-UHFFFAOYSA-N -1 3 297.337 3.235 20 0 CGADHM Cc1cccc(C)c1NCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822294229 606926120 /nfs/dbraw/zinc/92/61/20/606926120.db2.gz WIDMCBDOFAYKKT-UHFFFAOYSA-N -1 3 297.337 3.235 20 0 CGADHM CC(C)c1ncc(C=Cc2ccc(-c3nnn[n-]3)cn2)s1 ZINC000820206601 606931833 /nfs/dbraw/zinc/93/18/33/606931833.db2.gz RQICBNCSFSUIRA-AATRIKPKSA-N -1 3 298.375 3.012 20 0 CGADHM CC(C)c1ncc(C=Cc2ccc(-c3nn[n-]n3)cn2)s1 ZINC000820206601 606931834 /nfs/dbraw/zinc/93/18/34/606931834.db2.gz RQICBNCSFSUIRA-AATRIKPKSA-N -1 3 298.375 3.012 20 0 CGADHM CC(C)CCOCCSc1cccc(-c2nnn[n-]2)c1 ZINC000820076880 607014327 /nfs/dbraw/zinc/01/43/27/607014327.db2.gz VSLVSJGMFVCHKA-UHFFFAOYSA-N -1 3 292.408 3.022 20 0 CGADHM CC(C)CCOCCSc1cccc(-c2nn[n-]n2)c1 ZINC000820076880 607014328 /nfs/dbraw/zinc/01/43/28/607014328.db2.gz VSLVSJGMFVCHKA-UHFFFAOYSA-N -1 3 292.408 3.022 20 0 CGADHM CC(C)(C)C1=CCN(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824072022 607967034 /nfs/dbraw/zinc/96/70/34/607967034.db2.gz QUSDBYTVSCLFDM-UHFFFAOYSA-N -1 3 283.379 3.049 20 0 CGADHM c1cc(NC2CCCCCC2)cc(-c2nnn[n-]2)c1 ZINC000037102061 608866454 /nfs/dbraw/zinc/86/64/54/608866454.db2.gz FJDHBXIPVSMIDN-UHFFFAOYSA-N -1 3 257.341 3.001 20 0 CGADHM c1cc(NC2CCCCCC2)cc(-c2nn[n-]n2)c1 ZINC000037102061 608866457 /nfs/dbraw/zinc/86/64/57/608866457.db2.gz FJDHBXIPVSMIDN-UHFFFAOYSA-N -1 3 257.341 3.001 20 0 CGADHM COc1cccc(N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000826216887 609161253 /nfs/dbraw/zinc/16/12/53/609161253.db2.gz QVQCMVMBORAMLG-NSHDSACASA-N -1 3 295.346 3.048 20 0 CGADHM COc1cccc(N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000826216887 609161254 /nfs/dbraw/zinc/16/12/54/609161254.db2.gz QVQCMVMBORAMLG-NSHDSACASA-N -1 3 295.346 3.048 20 0 CGADHM Cc1cccc(N[C@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC000826299426 609161457 /nfs/dbraw/zinc/16/14/57/609161457.db2.gz DVVBTPBUYNKGOV-LLVKDONJSA-N -1 3 297.337 3.487 20 0 CGADHM Cc1cccc(N[C@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC000826299426 609161459 /nfs/dbraw/zinc/16/14/59/609161459.db2.gz DVVBTPBUYNKGOV-LLVKDONJSA-N -1 3 297.337 3.487 20 0 CGADHM C[C@@H]1CN(Cc2cc(-c3nnn[n-]3)cs2)c2ccccc21 ZINC000824984962 609173312 /nfs/dbraw/zinc/17/33/12/609173312.db2.gz PVXCBUISWGYNTB-SNVBAGLBSA-N -1 3 297.387 3.052 20 0 CGADHM C[C@@H]1CN(Cc2cc(-c3nn[n-]n3)cs2)c2ccccc21 ZINC000824984962 609173313 /nfs/dbraw/zinc/17/33/13/609173313.db2.gz PVXCBUISWGYNTB-SNVBAGLBSA-N -1 3 297.387 3.052 20 0 CGADHM Cc1occc1SCc1cc(-c2nnn[n-]2)ccc1F ZINC000826342715 609179292 /nfs/dbraw/zinc/17/92/92/609179292.db2.gz WZBGOPZPNSAOSU-UHFFFAOYSA-N -1 3 290.323 3.200 20 0 CGADHM Cc1occc1SCc1cc(-c2nn[n-]n2)ccc1F ZINC000826342715 609179293 /nfs/dbraw/zinc/17/92/93/609179293.db2.gz WZBGOPZPNSAOSU-UHFFFAOYSA-N -1 3 290.323 3.200 20 0 CGADHM Cc1ccc(-c2nnn[n-]2)cc1NCc1ccc(Cl)o1 ZINC000095341997 609478068 /nfs/dbraw/zinc/47/80/68/609478068.db2.gz KNQNHUVBOJMARN-UHFFFAOYSA-N -1 3 289.726 3.034 20 0 CGADHM Cc1ccc(-c2nn[n-]n2)cc1NCc1ccc(Cl)o1 ZINC000095341997 609478071 /nfs/dbraw/zinc/47/80/71/609478071.db2.gz KNQNHUVBOJMARN-UHFFFAOYSA-N -1 3 289.726 3.034 20 0 CGADHM Cc1ccc(CNc2cccc(-c3nnn[n-]3)c2C)cc1 ZINC000826288520 609486678 /nfs/dbraw/zinc/48/66/78/609486678.db2.gz KPCQTVPEMFBLRK-UHFFFAOYSA-N -1 3 279.347 3.096 20 0 CGADHM Cc1ccc(CNc2cccc(-c3nn[n-]n3)c2C)cc1 ZINC000826288520 609486681 /nfs/dbraw/zinc/48/66/81/609486681.db2.gz KPCQTVPEMFBLRK-UHFFFAOYSA-N -1 3 279.347 3.096 20 0 CGADHM C/C(=C\C(=O)[N-]O[C@@H]1CCCCO1)c1cccc(Cl)c1 ZINC000175989771 618251498 /nfs/dbraw/zinc/25/14/98/618251498.db2.gz YFOHAYFANYRLSL-SLZMIMFISA-N -1 3 295.766 3.318 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])C1CC2(CSC2)C1 ZINC000866866238 618501238 /nfs/dbraw/zinc/50/12/38/618501238.db2.gz YOQUYKVAYLVJRA-UHFFFAOYSA-N -1 3 283.780 3.127 20 0 CGADHM O=C(NCCC1CCC(F)(F)CC1)c1c([O-])cccc1O ZINC000900831712 620815447 /nfs/dbraw/zinc/81/54/47/620815447.db2.gz ZPJQWOTXWKTVKT-UHFFFAOYSA-N -1 3 299.317 3.043 20 0 CGADHM CC(C)CO[N-]C(=O)CCC(C)(C)c1ccccc1 ZINC000161264958 618623276 /nfs/dbraw/zinc/62/32/76/618623276.db2.gz VLJXXVQPEXNLJA-UHFFFAOYSA-N -1 3 263.381 3.448 20 0 CGADHM CCn1ccnc1[C@@H](C)N[C@H](C)c1cc([O-])cc(F)c1 ZINC000926533155 618727819 /nfs/dbraw/zinc/72/78/19/618727819.db2.gz OMYPRJBEBDZTON-GHMZBOCLSA-N -1 3 277.343 3.160 20 0 CGADHM CS[C@H]1CC[C@@H](NC(=O)c2cc([O-])ccc2Cl)C1 ZINC000235259390 618752887 /nfs/dbraw/zinc/75/28/87/618752887.db2.gz MXFBRNHELSAGKV-SCZZXKLOSA-N -1 3 285.796 3.060 20 0 CGADHM CC(C)C[C@H](CNCc1ncc(C(C)(C)C)s1)C(=O)[O-] ZINC000263469571 618755644 /nfs/dbraw/zinc/75/56/44/618755644.db2.gz HHVXMKQJUZSCBI-LLVKDONJSA-N -1 3 298.452 3.277 20 0 CGADHM Cc1oc(NC(=O)c2cc(C)ccc2[O-])nc1C1CC1 ZINC000892504514 618818197 /nfs/dbraw/zinc/81/81/97/618818197.db2.gz SEZPDPFLFARDGS-UHFFFAOYSA-N -1 3 272.304 3.127 20 0 CGADHM Cc1cccnc1COC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000180280045 618871325 /nfs/dbraw/zinc/87/13/25/618871325.db2.gz RQDNJKQHMCKXMH-UHFFFAOYSA-N -1 3 285.130 3.382 20 0 CGADHM CC(C)(C)SCCCC(=O)[N-]OCCC(F)(F)F ZINC000162784283 618882907 /nfs/dbraw/zinc/88/29/07/618882907.db2.gz OSISKYUAHYEZCY-UHFFFAOYSA-N -1 3 287.347 3.299 20 0 CGADHM O=C([N-]c1ncsc1C1CC1)c1cc(C2CC2)no1 ZINC000893265250 619053746 /nfs/dbraw/zinc/05/37/46/619053746.db2.gz CKJATFOPFZKUDZ-UHFFFAOYSA-N -1 3 275.333 3.138 20 0 CGADHM Cc1noc(C)c1CCOC(=O)c1cccc(Cl)c1[O-] ZINC000775935316 619106729 /nfs/dbraw/zinc/10/67/29/619106729.db2.gz WOOYENRBAJYIDQ-UHFFFAOYSA-N -1 3 295.722 3.050 20 0 CGADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@@H]1C[C@H]2CCC[C@H]21 ZINC000889603004 619553744 /nfs/dbraw/zinc/55/37/44/619553744.db2.gz JHRCKFSTJSOBDC-UMVBOHGHSA-N -1 3 291.366 3.159 20 0 CGADHM Fc1ccc2nc([N-]c3cnn4c3CCCC4)oc2c1 ZINC000894936322 619685783 /nfs/dbraw/zinc/68/57/83/619685783.db2.gz HFAIYERPYIYLPA-UHFFFAOYSA-N -1 3 272.283 3.243 20 0 CGADHM Cc1nc(N[C@H](C)c2ccc(C(F)(F)F)nc2)cc(=O)[n-]1 ZINC000895086085 619721057 /nfs/dbraw/zinc/72/10/57/619721057.db2.gz MPWKDTSNONLRHX-SSDOTTSWSA-N -1 3 298.268 3.078 20 0 CGADHM [O-]c1ccccc1-c1nc([C@H]2CC2(Cl)Cl)no1 ZINC000896806341 620067454 /nfs/dbraw/zinc/06/74/54/620067454.db2.gz JLHMDMXICQPXOD-SSDOTTSWSA-N -1 3 271.103 3.103 20 0 CGADHM CC(C)(C)c1ccc(CC(=O)[N-]OCc2ccccn2)cc1 ZINC000909540154 620078513 /nfs/dbraw/zinc/07/85/13/620078513.db2.gz TZNZDUZDWLONAW-UHFFFAOYSA-N -1 3 298.386 3.170 20 0 CGADHM O=C(CC(C1CCC1)C1CCC1)[N-]OCc1ccccn1 ZINC000909546091 620087662 /nfs/dbraw/zinc/08/76/62/620087662.db2.gz IIPVTVJRNFOZNU-UHFFFAOYSA-N -1 3 288.391 3.236 20 0 CGADHM CC(C)(C)OCCOC(=O)c1cc(F)cc(Cl)c1[O-] ZINC000751735487 620216911 /nfs/dbraw/zinc/21/69/11/620216911.db2.gz SXMPIVVQETYXSF-UHFFFAOYSA-N -1 3 290.718 3.157 20 0 CGADHM CC(C)(/C=C\Cl)NC(=O)c1cc([O-])ccc1Cl ZINC000928928586 620266316 /nfs/dbraw/zinc/26/63/16/620266316.db2.gz GURRMBWHQLENQR-WAYWQWQTSA-N -1 3 274.147 3.307 20 0 CGADHM C[C@H](c1ccc(F)c(F)c1)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000263369208 620314252 /nfs/dbraw/zinc/31/42/52/620314252.db2.gz UVKFGOZQSVCDOX-FOGDFJRCSA-N -1 3 283.318 3.068 20 0 CGADHM C[C@H](NCc1cccc([O-])c1Cl)c1cncs1 ZINC000897930514 620450649 /nfs/dbraw/zinc/45/06/49/620450649.db2.gz PZBKHBQGCGGUOK-QMMMGPOBSA-N -1 3 268.769 3.353 20 0 CGADHM CCCCC[C@@](C)(CC)C(=O)NCc1nc(C)cc(=O)[n-]1 ZINC000898261074 620500980 /nfs/dbraw/zinc/50/09/80/620500980.db2.gz CPVGBEXLJBOSJT-MRXNPFEDSA-N -1 3 293.411 3.103 20 0 CGADHM CCc1nnc([N-]c2ccccc2OCC(F)(F)F)o1 ZINC000899246015 620631961 /nfs/dbraw/zinc/63/19/61/620631961.db2.gz BHQLZILMDOLKDW-UHFFFAOYSA-N -1 3 287.241 3.317 20 0 CGADHM O=C([O-])CCN(Cc1cscc1C(F)(F)F)C1CC1 ZINC000901973074 621084538 /nfs/dbraw/zinc/08/45/38/621084538.db2.gz XREVOZIKJANIHL-UHFFFAOYSA-N -1 3 293.310 3.206 20 0 CGADHM C[C@H]1CCN(Cc2cc(F)cc(Cl)c2)[C@@H](C(=O)[O-])C1 ZINC000902015955 621101792 /nfs/dbraw/zinc/10/17/92/621101792.db2.gz KVJUBNJWYCPSQJ-TVQRCGJNSA-N -1 3 285.746 3.164 20 0 CGADHM CC1(C(=O)[O-])CC(N[C@H](c2ccco2)c2ccccc2)C1 ZINC000902081913 621129806 /nfs/dbraw/zinc/12/98/06/621129806.db2.gz PEAUAQZNJQUNDM-GULBITTBSA-N -1 3 285.343 3.212 20 0 CGADHM Cc1cccc([O-])c1C(=O)Nc1nn(C(C)C)cc1Cl ZINC000924782297 621173425 /nfs/dbraw/zinc/17/34/25/621173425.db2.gz MFRWGLMJSDUZEW-UHFFFAOYSA-N -1 3 293.754 3.384 20 0 CGADHM C[C@@H]1[C@H](CC(=O)[O-])CC[C@@H]1N[C@H](CF)c1ccc(F)cc1 ZINC000902187387 621179116 /nfs/dbraw/zinc/17/91/16/621179116.db2.gz RXCRZTBIDBSNDT-UEEZHKSASA-N -1 3 297.345 3.315 20 0 CGADHM CC[C@](C)(NCc1ccoc1C(=O)[O-])c1ccccc1 ZINC000902236690 621207270 /nfs/dbraw/zinc/20/72/70/621207270.db2.gz VJXCSEUVTWNAFL-INIZCTEOSA-N -1 3 273.332 3.393 20 0 CGADHM CCc1nc([C@@H](C)NC2CCC(CC(=O)[O-])CC2)cs1 ZINC000902251830 621207656 /nfs/dbraw/zinc/20/76/56/621207656.db2.gz AHEDQTBATCARFW-VOMCLLRMSA-N -1 3 296.436 3.390 20 0 CGADHM Cc1cc(=O)[n-]c(CSC[C@@H]2CCCC(C)(C)O2)n1 ZINC000902341319 621253921 /nfs/dbraw/zinc/25/39/21/621253921.db2.gz CHHOFWYCFWCNPB-NSHDSACASA-N -1 3 282.409 3.072 20 0 CGADHM Cc1ccc(F)c(CN(CC(=O)[O-])CC(C)(C)C)c1F ZINC000903409719 621732759 /nfs/dbraw/zinc/73/27/59/621732759.db2.gz YQHNJMBFFIILOR-UHFFFAOYSA-N -1 3 285.334 3.206 20 0 CGADHM CC[C@H](C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-])C(=O)[O-] ZINC000903704909 621794156 /nfs/dbraw/zinc/79/41/56/621794156.db2.gz OHZZEFPIOKHTQU-CYBMUJFWSA-N -1 3 299.370 3.260 20 0 CGADHM O=C([O-])[C@@H]1CN(Cc2ccccc2CF)Cc2ccccc21 ZINC000903706804 621794441 /nfs/dbraw/zinc/79/44/41/621794441.db2.gz NPJHICHNENUVHA-QGZVFWFLSA-N -1 3 299.345 3.340 20 0 CGADHM CC[C@H](CNCc1cc(Cl)sc1Cl)C(=O)[O-] ZINC000903709090 621795517 /nfs/dbraw/zinc/79/55/17/621795517.db2.gz AQIOVVOAHFPHKW-ZCFIWIBFSA-N -1 3 282.192 3.255 20 0 CGADHM C[C@@H]1CCC[C@@H]([C@H](CNCc2cscn2)CC(=O)[O-])C1 ZINC000904033113 621856485 /nfs/dbraw/zinc/85/64/85/621856485.db2.gz QRCLBYBENYVJEZ-UPJWGTAASA-N -1 3 296.436 3.150 20 0 CGADHM CCC[C@H](NCc1ccc(C(=O)[O-])cn1)c1ccccc1 ZINC000905718736 622098566 /nfs/dbraw/zinc/09/85/66/622098566.db2.gz MAVKJCSJLFHWDW-INIZCTEOSA-N -1 3 284.359 3.411 20 0 CGADHM C[C@H]1CCc2ccccc2[C@@H]1NCc1ccc(C(=O)[O-])cn1 ZINC000905726789 622100798 /nfs/dbraw/zinc/10/07/98/622100798.db2.gz YXVXEYYNFJXSAD-YVEFUNNKSA-N -1 3 296.370 3.193 20 0 CGADHM Cc1cc(C)c(NC([O-])=NO[C@@H]2CCCCO2)c(C)c1 ZINC000155405056 622337418 /nfs/dbraw/zinc/33/74/18/622337418.db2.gz SWFABZKMSZDEOG-CYBMUJFWSA-N -1 3 278.352 3.192 20 0 CGADHM Cc1cc(C)c(NC(=O)[N-]O[C@@H]2CCCCO2)c(C)c1 ZINC000155405056 622337422 /nfs/dbraw/zinc/33/74/22/622337422.db2.gz SWFABZKMSZDEOG-CYBMUJFWSA-N -1 3 278.352 3.192 20 0 CGADHM O=C(OCC1CCCCC1)c1cc(-c2ccco2)[n-]n1 ZINC000913299225 622755050 /nfs/dbraw/zinc/75/50/50/622755050.db2.gz VZUPOQJQIIZHDR-UHFFFAOYSA-N -1 3 274.320 3.407 20 0 CGADHM O=C(OCC1CCCCC1)c1cc(-c2ccco2)n[n-]1 ZINC000913299225 622755055 /nfs/dbraw/zinc/75/50/55/622755055.db2.gz VZUPOQJQIIZHDR-UHFFFAOYSA-N -1 3 274.320 3.407 20 0 CGADHM Cc1oc(CNCCc2ccc(Cl)s2)cc1C(=O)[O-] ZINC000226284519 622957474 /nfs/dbraw/zinc/95/74/74/622957474.db2.gz ORKBKSWUQSHIOP-UHFFFAOYSA-N -1 3 299.779 3.333 20 0 CGADHM Cc1cccc(OCCCCC(=O)[N-]OCC(C)C)c1 ZINC000153305555 623845153 /nfs/dbraw/zinc/84/51/53/623845153.db2.gz HEFUCTMSXQWTGL-UHFFFAOYSA-N -1 3 279.380 3.248 20 0 CGADHM C[C@]1(COC(=O)c2ccc([O-])cc2)CC1(Cl)Cl ZINC000837336483 624023367 /nfs/dbraw/zinc/02/33/67/624023367.db2.gz ARUQYRHWKBPBLC-LLVKDONJSA-N -1 3 275.131 3.133 20 0 CGADHM O=C(Nc1ccc(Cl)cc1[O-])C1SCCCS1 ZINC000841411080 624071505 /nfs/dbraw/zinc/07/15/05/624071505.db2.gz PFBJLLWIORETIK-UHFFFAOYSA-N -1 3 289.809 3.180 20 0 CGADHM CCSc1ccccc1CC[N-]C(=O)C(F)(F)F ZINC000921596188 625696717 /nfs/dbraw/zinc/69/67/17/625696717.db2.gz UNWBZOGGNZLIHZ-UHFFFAOYSA-N -1 3 277.311 3.020 20 0 CGADHM O=C([N-]Cc1ccc(F)c(F)c1)C(F)(F)c1ccccc1 ZINC000918053546 624328913 /nfs/dbraw/zinc/32/89/13/624328913.db2.gz DNXRPSXLGUQTQZ-UHFFFAOYSA-N -1 3 297.251 3.373 20 0 CGADHM CCCCCCOCC(=O)Nc1cc(F)ccc1[O-] ZINC000174876954 624400612 /nfs/dbraw/zinc/40/06/12/624400612.db2.gz WWLPWYVJWUVGED-UHFFFAOYSA-N -1 3 269.316 3.067 20 0 CGADHM CC(C)(C)OCCCCOC(=O)Cc1ccc([O-])c(F)c1 ZINC000838146449 626197023 /nfs/dbraw/zinc/19/70/23/626197023.db2.gz SGUKXQIOBXYNMF-UHFFFAOYSA-N -1 3 298.354 3.212 20 0 CGADHM O=C(Nc1ccc(F)nc1)c1ccc2c(c1[O-])CCCC2 ZINC000755517324 626627981 /nfs/dbraw/zinc/62/79/81/626627981.db2.gz KSLGGCPJKNEEDJ-UHFFFAOYSA-N -1 3 286.306 3.057 20 0 CGADHM CCC(=O)CCCOC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000759477380 626901745 /nfs/dbraw/zinc/90/17/45/626901745.db2.gz NACQSUWVOANEHJ-UHFFFAOYSA-N -1 3 278.135 3.238 20 0 CGADHM Cc1cc(=O)[n-]c(CS[C@H](C)c2ccccc2)n1 ZINC000763208219 627145271 /nfs/dbraw/zinc/14/52/71/627145271.db2.gz IHNZGMWFEPOPPK-LLVKDONJSA-N -1 3 260.362 3.485 20 0 CGADHM CSc1cc(C(=O)[N-]c2nc(C(C)C)ns2)co1 ZINC000874691611 634591790 /nfs/dbraw/zinc/59/17/90/634591790.db2.gz DVBDHRVYNVQIGD-UHFFFAOYSA-N -1 3 283.378 3.229 20 0 CGADHM O=C(CCc1cc(F)ccc1F)[N-]Oc1ccccc1 ZINC000773459922 627885890 /nfs/dbraw/zinc/88/58/90/627885890.db2.gz DXHJDZHGMBLKFI-UHFFFAOYSA-N -1 3 277.270 3.008 20 0 CGADHM Cc1ccc(C(=O)CCC(=O)[N-]Oc2ccccc2)cc1 ZINC000773466600 627887257 /nfs/dbraw/zinc/88/72/57/627887257.db2.gz KGUYFPSHYAGDEV-UHFFFAOYSA-N -1 3 283.327 3.068 20 0 CGADHM O=C(CCCOc1cccc(F)c1)[N-]OC1CCCCC1 ZINC000777965171 628316965 /nfs/dbraw/zinc/31/69/65/628316965.db2.gz ZLOBKLUBWYVTPC-UHFFFAOYSA-N -1 3 295.354 3.365 20 0 CGADHM O=C1[N-]C(=O)C(=Cc2ccc(CC(F)(F)F)cc2)S1 ZINC000874929587 634653774 /nfs/dbraw/zinc/65/37/74/634653774.db2.gz IPHOAPZVZNWASK-UITAMQMPSA-N -1 3 287.262 3.115 20 0 CGADHM Cc1cc(Br)cc(C=C2SC(=O)[N-]C2=O)c1 ZINC000874928500 634653879 /nfs/dbraw/zinc/65/38/79/634653879.db2.gz OBWYIOPHFCZWGA-WEVVVXLNSA-N -1 3 298.161 3.081 20 0 CGADHM CON(Cc1ccccc1)C(=O)c1ccc(C)c(C)c1[O-] ZINC000780781990 628517285 /nfs/dbraw/zinc/51/72/85/628517285.db2.gz XVTDMJHXZLYFGU-UHFFFAOYSA-N -1 3 285.343 3.213 20 0 CGADHM O=C(CCCc1ccsc1)[N-]OC1CCCC1 ZINC000783059285 628675261 /nfs/dbraw/zinc/67/52/61/628675261.db2.gz AVKDRAJNQVWZAY-UHFFFAOYSA-N -1 3 253.367 3.061 20 0 CGADHM O=C(OCc1cccnc1Cl)c1cc2occc2[n-]1 ZINC000786030084 628908311 /nfs/dbraw/zinc/90/83/11/628908311.db2.gz UEWLFVHXAIROET-UHFFFAOYSA-N -1 3 276.679 3.166 20 0 CGADHM O=C(OCc1cccc(F)c1)c1cc2occc2[n-]1 ZINC000786033288 628909041 /nfs/dbraw/zinc/90/90/41/628909041.db2.gz YNQNDOFMSNYWTN-UHFFFAOYSA-N -1 3 259.236 3.257 20 0 CGADHM O=C(OCCc1ccc2c(c1)CCO2)c1cc2occc2[n-]1 ZINC000786031359 628909103 /nfs/dbraw/zinc/90/91/03/628909103.db2.gz LXXZVKXWAQTXKQ-UHFFFAOYSA-N -1 3 297.310 3.095 20 0 CGADHM C[C@H]1CC[C@@H](COC(=O)c2cc3sccc3c([O-])c2)O1 ZINC000786131880 628915731 /nfs/dbraw/zinc/91/57/31/628915731.db2.gz RWYHJGYYQFXQNN-ONGXEEELSA-N -1 3 292.356 3.331 20 0 CGADHM O=C(CCCc1ccc([O-])c(F)c1)OC1CCCC1 ZINC000787847483 629032653 /nfs/dbraw/zinc/03/26/53/629032653.db2.gz GOVIAECYLCDUNC-UHFFFAOYSA-N -1 3 266.312 3.340 20 0 CGADHM O=C(NCc1ccoc1)c1cc2sccc2c([O-])c1 ZINC000788289217 629045281 /nfs/dbraw/zinc/04/52/81/629045281.db2.gz USKZSCHAJJEITQ-UHFFFAOYSA-N -1 3 273.313 3.130 20 0 CGADHM CCC[C@H](C)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000792040773 629332843 /nfs/dbraw/zinc/33/28/43/629332843.db2.gz QTHOOCVAGCJRQM-NSHDSACASA-N -1 3 257.333 3.464 20 0 CGADHM CC(C)(C)OC1CC(CC(=O)[N-]OCc2ccccc2)C1 ZINC000792577473 629368312 /nfs/dbraw/zinc/36/83/12/629368312.db2.gz MRHUAMGQTQNKGS-UHFFFAOYSA-N -1 3 291.391 3.218 20 0 CGADHM Cc1cc2occ(CC(=O)[N-]OC/C=C\Cl)c2cc1C ZINC000794288381 629529943 /nfs/dbraw/zinc/52/99/43/629529943.db2.gz HSFMCVCGJUIVQK-ARJAWSKDSA-N -1 3 293.750 3.392 20 0 CGADHM CC1(C)CC(CSCCC[N-]C(=O)C(F)(F)F)C1 ZINC000863399507 629562869 /nfs/dbraw/zinc/56/28/69/629562869.db2.gz KZVIQNNXGZLLIL-UHFFFAOYSA-N -1 3 283.359 3.224 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)C[C@H](C)Cc1ccccc1OC ZINC000794849610 629587857 /nfs/dbraw/zinc/58/78/57/629587857.db2.gz BYIDXXLQVVGXFZ-UONOGXRCSA-N -1 3 293.407 3.358 20 0 CGADHM Cc1ccc(-c2cc(C(=O)OCCC(C)(F)F)n[n-]2)o1 ZINC000797209313 629912589 /nfs/dbraw/zinc/91/25/89/629912589.db2.gz YXNDIAIMUTZSRP-UHFFFAOYSA-N -1 3 284.262 3.180 20 0 CGADHM Cc1ccc(-c2cc(C(=O)OCCC(C)(F)F)[n-]n2)o1 ZINC000797209313 629912591 /nfs/dbraw/zinc/91/25/91/629912591.db2.gz YXNDIAIMUTZSRP-UHFFFAOYSA-N -1 3 284.262 3.180 20 0 CGADHM Cc1cc(=O)[n-]c(CSCCCCC2CCOCC2)n1 ZINC000798400332 630053613 /nfs/dbraw/zinc/05/36/13/630053613.db2.gz AZJDURDXPCHXKL-UHFFFAOYSA-N -1 3 296.436 3.321 20 0 CGADHM O=C(CCOc1ccc2ccccc2c1)[N-]OC1CCC1 ZINC000836799948 634804977 /nfs/dbraw/zinc/80/49/77/634804977.db2.gz PHSDLYAHGQHUCE-UHFFFAOYSA-N -1 3 285.343 3.209 20 0 CGADHM CO[C@@H](CSCc1nc(C)cc(=O)[n-]1)c1ccccc1 ZINC000802751314 630408045 /nfs/dbraw/zinc/40/80/45/630408045.db2.gz IHDSFQSSGJESFO-ZDUSSCGKSA-N -1 3 290.388 3.112 20 0 CGADHM CC(=O)c1cccc(NC(=O)C=C(C2CC2)C2CC2)c1[O-] ZINC000808188609 630630684 /nfs/dbraw/zinc/63/06/84/630630684.db2.gz ANGPIEHKHVVVQP-UHFFFAOYSA-N -1 3 285.343 3.280 20 0 CGADHM Cc1ccc(CCC(=O)[N-]OCc2ccc(F)cc2)s1 ZINC000810675354 630925151 /nfs/dbraw/zinc/92/51/51/630925151.db2.gz IOKLSCHYZIPRAP-UHFFFAOYSA-N -1 3 293.363 3.376 20 0 CGADHM COCC1(COC(=O)c2cc3cc(Cl)sc3[n-]2)CC1 ZINC000810853551 630962032 /nfs/dbraw/zinc/96/20/32/630962032.db2.gz YEACWOORSGZHQY-UHFFFAOYSA-N -1 3 299.779 3.466 20 0 CGADHM COc1cc(NC(=O)c2cc([O-])ccc2Cl)ccc1O ZINC000811489523 631074364 /nfs/dbraw/zinc/07/43/64/631074364.db2.gz FFVOGJZCZQNBAF-UHFFFAOYSA-N -1 3 293.706 3.012 20 0 CGADHM O=c1ccnc(C=Cc2cscc2C(F)(F)F)[n-]1 ZINC000811691464 631110430 /nfs/dbraw/zinc/11/04/30/631110430.db2.gz NBOVNTAQEGWELL-OWOJBTEDSA-N -1 3 272.251 3.433 20 0 CGADHM CC(C)(CC(=O)[N-]OC1CCC1)CC(=O)c1ccccc1 ZINC000812795790 631312957 /nfs/dbraw/zinc/31/29/57/631312957.db2.gz CTQJJGZCMVTPQR-UHFFFAOYSA-N -1 3 289.375 3.276 20 0 CGADHM COc1ccccc1CO[N-]C(=O)C(C)(C)C(C)(C)C ZINC000816569008 632014958 /nfs/dbraw/zinc/01/49/58/632014958.db2.gz WHDSUJYNEHKORF-UHFFFAOYSA-N -1 3 279.380 3.315 20 0 CGADHM O=C(Cc1c[nH]c2cccc(Cl)c12)[N-]OC/C=C\Cl ZINC000816779736 632050452 /nfs/dbraw/zinc/05/04/52/632050452.db2.gz MKQHHPGOLCOWHS-DJWKRKHSSA-N -1 3 299.157 3.164 20 0 CGADHM C[C@@H](CC(=O)[N-]OCC1CC1)c1c[nH]c2ccccc21 ZINC000817354429 632130509 /nfs/dbraw/zinc/13/05/09/632130509.db2.gz MHBUKNPGVGDNKP-NSHDSACASA-N -1 3 272.348 3.119 20 0 CGADHM Nc1ccc(C(=O)N2CCC[C@@H]2c2ccsc2)c([O-])c1 ZINC000817915000 632234924 /nfs/dbraw/zinc/23/49/24/632234924.db2.gz GAJRMTLIBRKVMA-CYBMUJFWSA-N -1 3 288.372 3.013 20 0 CGADHM CC(C)c1cnc([N-]C(=O)c2cc(Cl)no2)s1 ZINC000820311417 632603900 /nfs/dbraw/zinc/60/39/00/632603900.db2.gz LICOOJGYJGQCOO-UHFFFAOYSA-N -1 3 271.729 3.160 20 0 CGADHM CC(C)[C@@H]1C[C@H](C(=O)Nc2c([O-])cccc2Cl)CCO1 ZINC000820558386 632647138 /nfs/dbraw/zinc/64/71/38/632647138.db2.gz QDYLIZRLHLHSEH-MFKMUULPSA-N -1 3 297.782 3.435 20 0 CGADHM C[C@@]1(CC(=O)[N-]OCc2ccccc2)CC1(Cl)Cl ZINC000822232408 632888274 /nfs/dbraw/zinc/88/82/74/632888274.db2.gz HQZBIMOSEFQLGI-GFCCVEGCSA-N -1 3 288.174 3.208 20 0 CGADHM Cc1ccc2c(c1)CCCN2C(=O)Cc1ccc([O-])c(F)c1 ZINC000822330048 632905938 /nfs/dbraw/zinc/90/59/38/632905938.db2.gz GZRUGFYLBONSIE-UHFFFAOYSA-N -1 3 299.345 3.362 20 0 CGADHM CC[C@H](CC(=O)[N-]OCCC(F)(F)F)C(C)(C)C ZINC000867550526 633252756 /nfs/dbraw/zinc/25/27/56/633252756.db2.gz MXYYMIJMRQVIGB-SECBINFHSA-N -1 3 269.307 3.449 20 0 CGADHM O=C(CCc1ccc(C(F)F)cc1)[N-]OC/C=C\Cl ZINC000868469480 633327092 /nfs/dbraw/zinc/32/70/92/633327092.db2.gz LPAMRCHAQJVVBP-QPIMQUGISA-N -1 3 289.709 3.357 20 0 CGADHM CCCO[N-]C(=O)CCc1ccc(C(F)F)cc1 ZINC000869085185 633402769 /nfs/dbraw/zinc/40/27/69/633402769.db2.gz WZQRCFCFEIEPEG-UHFFFAOYSA-N -1 3 257.280 3.015 20 0 CGADHM [O-]c1ccc(F)c(CN2CCC[C@@H](CCF)C2)c1F ZINC000827270534 633477607 /nfs/dbraw/zinc/47/76/07/633477607.db2.gz AJDUCGCYICUBSL-JTQLQIEISA-N -1 3 273.298 3.242 20 0 CGADHM CC(=O)[C@H](OC(=O)c1cc(Cl)c(Cl)[n-]1)C(C)C ZINC000828683849 633642189 /nfs/dbraw/zinc/64/21/89/633642189.db2.gz PNWURYLVUIKNDE-SECBINFHSA-N -1 3 278.135 3.092 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)NCC1CCC2(CC2)CC1 ZINC000871020486 633679972 /nfs/dbraw/zinc/67/99/72/633679972.db2.gz VPRUBFYPKKRXKD-UHFFFAOYSA-N -1 3 291.366 3.160 20 0 CGADHM C[C@]1(C(=O)[N-]OCc2ccc(F)cc2)CC=CCC1 ZINC000829219923 633714989 /nfs/dbraw/zinc/71/49/89/633714989.db2.gz UNXKRQUXBUXCFF-HNNXBMFYSA-N -1 3 263.312 3.120 20 0 CGADHM C[C@@H]1CCC[C@H]1CC(=O)[N-]OCCCC(F)(F)F ZINC000871214669 633730571 /nfs/dbraw/zinc/73/05/71/633730571.db2.gz IPTDTJBDMVJSBX-ZJUUUORDSA-N -1 3 267.291 3.203 20 0 CGADHM O=C(c1ccccc1[O-])N1CCC[C@@](F)(c2ccccc2)C1 ZINC000871375738 633769313 /nfs/dbraw/zinc/76/93/13/633769313.db2.gz VDXJXDSYINNBLC-SFHVURJKSA-N -1 3 299.345 3.493 20 0 CGADHM Cc1c2occ([O-])c2ccc1OCc1ncc(C(C)C)o1 ZINC000871800279 633871132 /nfs/dbraw/zinc/87/11/32/633871132.db2.gz CBWBIJLELWIGTI-UHFFFAOYSA-N -1 3 287.315 3.261 20 0 CGADHM COc1ccc(C(=O)[O-])c2c1CN(CCCC(C)C)CC2 ZINC000872166087 634074298 /nfs/dbraw/zinc/07/42/98/634074298.db2.gz CPYHLZZQAWONPH-UHFFFAOYSA-N -1 3 291.391 3.188 20 0 CGADHM O=C(CCC1CC1)OCc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000837526348 634926451 /nfs/dbraw/zinc/92/64/51/634926451.db2.gz VDDNHIFZXLHKIP-UHFFFAOYSA-N -1 3 298.342 3.083 20 0 CGADHM C[C@]1(C(F)(F)F)CCN(Cc2c(F)ccc([O-])c2F)C1 ZINC000877812911 635219032 /nfs/dbraw/zinc/21/90/32/635219032.db2.gz USNFRQGHZMUTMU-LBPRGKRZSA-N -1 3 295.251 3.445 20 0 CGADHM CC(C)(C)CC(=O)[N-]OCc1cc2ccccc2o1 ZINC000842061412 635270960 /nfs/dbraw/zinc/27/09/60/635270960.db2.gz KFBAMTAMYQHYSU-UHFFFAOYSA-N -1 3 261.321 3.417 20 0 CGADHM CCCCC[C@H](CC)c1nc(-c2cc(=O)[n-]cn2)no1 ZINC000843030293 635546764 /nfs/dbraw/zinc/54/67/64/635546764.db2.gz YAYLRMCXNKCVCH-JTQLQIEISA-N -1 3 276.340 3.306 20 0 CGADHM CC/C(C)=C(\C)C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000843886909 635792375 /nfs/dbraw/zinc/79/23/75/635792375.db2.gz SWADWAMKNMPJII-MDZDMXLPSA-N -1 3 261.321 3.280 20 0 CGADHM O=C(COC(=O)c1cc2ccsc2[n-]1)c1ccccc1 ZINC000023345779 635793536 /nfs/dbraw/zinc/79/35/36/635793536.db2.gz IODYTSUVNRLJML-UHFFFAOYSA-N -1 3 285.324 3.269 20 0 CGADHM CCCO[N-]C(=O)CCC(=O)c1ccc2ccccc2c1 ZINC000844080727 635816395 /nfs/dbraw/zinc/81/63/95/635816395.db2.gz LKUMRLBOOVLSGY-UHFFFAOYSA-N -1 3 285.343 3.261 20 0 CGADHM O=C1Nc2ccccc2/C1=C\c1ccc([O-])c(F)c1 ZINC000210900467 635998122 /nfs/dbraw/zinc/99/81/22/635998122.db2.gz JTDGQWRIELHSGI-YRNVUSSQSA-N -1 3 255.248 3.024 20 0 CGADHM C[C@@H]([N-]c1nnc(C(C)(C)C)o1)c1nc2ccccc2[nH]1 ZINC000881784266 636199403 /nfs/dbraw/zinc/19/94/03/636199403.db2.gz ROAORCQLGCUOFW-SECBINFHSA-N -1 3 285.351 3.417 20 0 CGADHM CC(C)c1c[nH]c(CNCc2ccc([O-])c(Cl)c2)n1 ZINC000883204252 636582741 /nfs/dbraw/zinc/58/27/41/636582741.db2.gz WDJLFHPZQYJSQN-UHFFFAOYSA-N -1 3 279.771 3.182 20 0 CGADHM C[C@@H](NC1(c2ncccn2)CCC1)c1cccc([O-])c1F ZINC000883311128 636660408 /nfs/dbraw/zinc/66/04/08/636660408.db2.gz OZRNCTPVVJALGZ-LLVKDONJSA-N -1 3 287.338 3.051 20 0 CGADHM CO[C@H](COC(=O)c1cc(Cl)c(Cl)[n-]1)C1CCC1 ZINC000849673498 636842900 /nfs/dbraw/zinc/84/29/00/636842900.db2.gz VTTLLTWEOPJJAU-SNVBAGLBSA-N -1 3 292.162 3.293 20 0 CGADHM Cc1ccc(-c2cc(C(=O)OC[C@@H]3CCC3(F)F)n[n-]2)o1 ZINC000851314876 637347255 /nfs/dbraw/zinc/34/72/55/637347255.db2.gz HPKPPUQYDHTBRE-VIFPVBQESA-N -1 3 296.273 3.180 20 0 CGADHM Cc1ccc(-c2cc(C(=O)OC[C@@H]3CCC3(F)F)[n-]n2)o1 ZINC000851314876 637347259 /nfs/dbraw/zinc/34/72/59/637347259.db2.gz HPKPPUQYDHTBRE-VIFPVBQESA-N -1 3 296.273 3.180 20 0 CGADHM CCN(Cc1cc2ccccc2nc1Cl)[C@H](C)C(=O)[O-] ZINC000852737339 637703800 /nfs/dbraw/zinc/70/38/00/637703800.db2.gz WPMDTNKOWWIZJB-SNVBAGLBSA-N -1 3 292.766 3.183 20 0 CGADHM O=C([N-]CCCSCCCC1CCC1)C(F)(F)F ZINC000853785664 637922927 /nfs/dbraw/zinc/92/29/27/637922927.db2.gz OCNJFNIKIMXWAY-UHFFFAOYSA-N -1 3 283.359 3.369 20 0 CGADHM O=c1ccc(-c2ccc([C@H](O)C3CC3)cc2)c(F)[n-]1 ZINC000854190217 638013772 /nfs/dbraw/zinc/01/37/72/638013772.db2.gz YCGDVOOELSMVBG-AWEZNQCLSA-N -1 3 259.280 3.037 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)CCC(=O)c1c(F)cccc1F ZINC000854601715 638077112 /nfs/dbraw/zinc/07/71/12/638077112.db2.gz FBHAAOFFUSBCHG-SNVBAGLBSA-N -1 3 299.317 3.022 20 0 CGADHM CC[C@H](OC(=O)c1cccc2[n-]c(C(F)F)nc21)C(C)=O ZINC000924085387 638296410 /nfs/dbraw/zinc/29/64/10/638296410.db2.gz CVPSYWSHFYOXBQ-JTQLQIEISA-N -1 3 296.273 3.025 20 0 CGADHM CC[C@H](CC(=O)[N-]OCC1CCC1)c1ccccc1 ZINC000856347394 638347616 /nfs/dbraw/zinc/34/76/16/638347616.db2.gz PRHJVQHQEOUNCW-CQSZACIVSA-N -1 3 261.365 3.418 20 0 CGADHM CCc1nc(CN[C@H](C)c2cc([O-])cc(F)c2)cs1 ZINC000924999217 638435132 /nfs/dbraw/zinc/43/51/32/638435132.db2.gz ODPIYZASPSFABC-SECBINFHSA-N -1 3 280.368 3.401 20 0 CGADHM O=C(C[C@@H]1CCc2ccccc21)[N-]OCc1ccccc1 ZINC000115320730 638524725 /nfs/dbraw/zinc/52/47/25/638524725.db2.gz UEIJKCOATGJHTM-INIZCTEOSA-N -1 3 281.355 3.355 20 0 CGADHM C[C@H](N[C@@H]1C[C@@H](C)n2ccnc21)c1cc([O-])cc(F)c1 ZINC000926534373 638782194 /nfs/dbraw/zinc/78/21/94/638782194.db2.gz ZEIKLQSVQAGIPY-ISTVAULSSA-N -1 3 275.327 3.084 20 0 CGADHM Cc1ncc(C(=O)[N-]c2c(C)noc2C(C)C)s1 ZINC000928786447 638892002 /nfs/dbraw/zinc/89/20/02/638892002.db2.gz LJBMZLPPINUXIS-UHFFFAOYSA-N -1 3 265.338 3.124 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)Cc1ccc(F)c(Cl)c1 ZINC000861807931 639614950 /nfs/dbraw/zinc/61/49/50/639614950.db2.gz DLOYNTCCJYRMIL-SECBINFHSA-N -1 3 273.735 3.116 20 0 CGADHM CCc1cccc(C(=O)N2CCOc3cc(C)ccc32)c1[O-] ZINC000091673113 640717884 /nfs/dbraw/zinc/71/78/84/640717884.db2.gz VBDKEOLSMRZXNI-UHFFFAOYSA-N -1 3 297.354 3.302 20 0 CGADHM CC[C@H](C)C[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC001257183235 807059388 /nfs/dbraw/zinc/05/93/88/807059388.db2.gz NRUUZLKQHQVSMM-QMMMGPOBSA-N -1 3 296.219 3.318 20 0 CGADHM Cc1cc(-c2ccnc3ccnn32)cc(Cl)c1[O-] ZINC001250481590 805645496 /nfs/dbraw/zinc/64/54/96/805645496.db2.gz DSPXQVTZQUISMR-UHFFFAOYSA-N -1 3 259.696 3.064 20 0 CGADHM O=C(Nc1cncc([O-])c1)c1cccc2c(F)cccc12 ZINC001156092735 805652991 /nfs/dbraw/zinc/65/29/91/805652991.db2.gz QUASRDPODSYNEL-UHFFFAOYSA-N -1 3 282.274 3.332 20 0 CGADHM [O-]c1cc(F)c(-c2nc3cc4c(cc3[nH]2)OCC4)c(F)c1 ZINC001251007977 805826220 /nfs/dbraw/zinc/82/62/20/805826220.db2.gz VZCSKSMBIZDHNO-UHFFFAOYSA-N -1 3 288.253 3.149 20 0 CGADHM S=C1C=COC1c1nc2cc3c(cc2[n-]1)OCC3 ZINC001251546931 805906676 /nfs/dbraw/zinc/90/66/76/805906676.db2.gz VKTWTTSEYKSOMS-UHFFFAOYSA-N -1 3 258.302 3.047 20 0 CGADHM Cc1coc(-c2nc3c(cc(F)c(Cl)c3F)[n-]2)n1 ZINC001251638594 805915261 /nfs/dbraw/zinc/91/52/61/805915261.db2.gz MUCBYDBHMPDTAU-UHFFFAOYSA-N -1 3 269.638 3.458 20 0 CGADHM CCc1ccc(C(=O)Nc2cccnc2C2CC2)c([O-])c1 ZINC001158724352 805990233 /nfs/dbraw/zinc/99/02/33/805990233.db2.gz LQNVKTGTPDJLJG-UHFFFAOYSA-N -1 3 282.343 3.479 20 0 CGADHM Cc1cc(Nc2ccccc2CN(C)C)ccc1C(=O)[O-] ZINC001211658492 814927712 /nfs/dbraw/zinc/92/77/12/814927712.db2.gz PRSSNDDTSYWXEQ-UHFFFAOYSA-N -1 3 284.359 3.498 20 0 CGADHM Cc1cc(Nc2ccc3c(c2)CN(C)CC3)ccc1C(=O)[O-] ZINC001211663450 814928340 /nfs/dbraw/zinc/92/83/40/814928340.db2.gz KCKAKLHFEIHYEX-UHFFFAOYSA-N -1 3 296.370 3.425 20 0 CGADHM [O-]c1ccc(-c2nnc(-c3ccc(Cl)cc3)o2)nc1 ZINC001252709881 806104499 /nfs/dbraw/zinc/10/44/99/806104499.db2.gz UCJKPVSFICLHPQ-UHFFFAOYSA-N -1 3 273.679 3.158 20 0 CGADHM c1cc2ccc(Nc3ccc(-c4nn[n-]n4)cc3)cc2[nH]1 ZINC001159689781 806152229 /nfs/dbraw/zinc/15/22/29/806152229.db2.gz BJLQLMUOPVVZFF-UHFFFAOYSA-N -1 3 276.303 3.092 20 0 CGADHM CC(=O)c1cccc(NC(=O)C(C)=Cc2cccnc2)c1[O-] ZINC001160320891 806257331 /nfs/dbraw/zinc/25/73/31/806257331.db2.gz FGHHCEZKHIVHNY-PKNBQFBNSA-N -1 3 296.326 3.032 20 0 CGADHM CC(C)[C@@H](O)CNc1cc(Cl)c([O-])cc1Cl ZINC001253771024 806304057 /nfs/dbraw/zinc/30/40/57/806304057.db2.gz CVZUIVHKZKBXDQ-NSHDSACASA-N -1 3 264.152 3.128 20 0 CGADHM COc1c(F)cc(Nc2ncc(Cl)cc2[O-])cc1F ZINC001211676340 814930269 /nfs/dbraw/zinc/93/02/69/814930269.db2.gz DRPLPCCDHQMFKW-UHFFFAOYSA-N -1 3 286.665 3.471 20 0 CGADHM Fc1cccc(-c2nnc(-c3cnc(C(F)(F)F)[n-]3)o2)c1 ZINC001254191519 806361412 /nfs/dbraw/zinc/36/14/12/806361412.db2.gz WVQAUUFCKRJDKK-UHFFFAOYSA-N -1 3 298.199 3.285 20 0 CGADHM Fc1cccc(-c2nnc(-c3c[n-]c(C(F)(F)F)n3)o2)c1 ZINC001254191519 806361423 /nfs/dbraw/zinc/36/14/23/806361423.db2.gz WVQAUUFCKRJDKK-UHFFFAOYSA-N -1 3 298.199 3.285 20 0 CGADHM Cc1ccccc1S(=O)(=O)[N-]c1c(O)cccc1Cl ZINC001254601956 806458800 /nfs/dbraw/zinc/45/88/00/806458800.db2.gz LHMNLAVRABFRGP-UHFFFAOYSA-N -1 3 297.763 3.155 20 0 CGADHM CCc1coc(CNc2ccc3c(c2)[N-]C(=S)C3)n1 ZINC001162143085 806514420 /nfs/dbraw/zinc/51/44/20/806514420.db2.gz FNHQYZMOKZPZPI-UHFFFAOYSA-N -1 3 273.361 3.145 20 0 CGADHM [O-]c1ccccc1Sc1ncc(Br)cn1 ZINC000082662573 798937276 /nfs/dbraw/zinc/93/72/76/798937276.db2.gz HTTZHISAGUCSBT-UHFFFAOYSA-N -1 3 283.150 3.096 20 0 CGADHM CC[C@H]1CCCCN1Cc1cc(F)c([O-])c(F)c1 ZINC000131536058 799028326 /nfs/dbraw/zinc/02/83/26/799028326.db2.gz RUAIIZUDYWRVEM-NSHDSACASA-N -1 3 255.308 3.435 20 0 CGADHM CC(C)O[N-]C(=O)C12CC3C[C@@](C)(C1)C[C@](C)(C3)C2 ZINC000381037190 799371100 /nfs/dbraw/zinc/37/11/00/799371100.db2.gz NTTRITIOCRRYPO-PYCGDYPRSA-N -1 3 265.397 3.439 20 0 CGADHM Cc1cccnc1CN=c1nc(Cl)[n-]c2ccsc21 ZINC000388231882 799451453 /nfs/dbraw/zinc/45/14/53/799451453.db2.gz GRZNLCTTWZGASH-UHFFFAOYSA-N -1 3 290.779 3.082 20 0 CGADHM COc1cccc(-c2nc(-c3cnc(C)cc3C)no2)c1[O-] ZINC000397401654 799516243 /nfs/dbraw/zinc/51/62/43/799516243.db2.gz FCGPRBLNIRPATM-UHFFFAOYSA-N -1 3 297.314 3.130 20 0 CGADHM O=C(/C=C\c1ccc(O)cc1)Nc1cc(Cl)ccc1[O-] ZINC000588417838 799691595 /nfs/dbraw/zinc/69/15/95/799691595.db2.gz CMMUJUDQNSOSKK-BAQGIRSFSA-N -1 3 289.718 3.403 20 0 CGADHM C[C@H](CC1CCC1)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC000710270395 800032483 /nfs/dbraw/zinc/03/24/83/800032483.db2.gz FQMDOLWSHZGWJQ-BDAKNGLRSA-N -1 3 268.382 3.071 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CCC[C@@H]1c1nccs1 ZINC000710460786 800034875 /nfs/dbraw/zinc/03/48/75/800034875.db2.gz WGOPHJADWMYSPH-LLVKDONJSA-N -1 3 288.372 3.134 20 0 CGADHM C[C@@H](CC1CCCC1)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC000712524350 800091794 /nfs/dbraw/zinc/09/17/94/800091794.db2.gz RMBYAASDRZUDHF-UWVGGRQHSA-N -1 3 282.409 3.461 20 0 CGADHM Cc1ccc2ncc([O-])c(-c3nnc(CC(C)C)o3)c2c1 ZINC001256426349 806893805 /nfs/dbraw/zinc/89/38/05/806893805.db2.gz MTPBJPFLGRVQIA-UHFFFAOYSA-N -1 3 283.331 3.497 20 0 CGADHM C[C@H]1CCCN(C(F)(F)c2cc(Cl)nc(=S)[n-]2)C1 ZINC001165173666 806974272 /nfs/dbraw/zinc/97/42/72/806974272.db2.gz XJRFNZPBKODCIH-ZETCQYMHSA-N -1 3 293.770 3.200 20 0 CGADHM CC(=O)c1cc(-c2nnc(CCC3CCCCC3)o2)[n-]n1 ZINC001256779701 806976163 /nfs/dbraw/zinc/97/61/63/806976163.db2.gz CXGJRKZELFIATQ-UHFFFAOYSA-N -1 3 288.351 3.175 20 0 CGADHM Cc1cnn(CC2CC2)c1NC(=O)c1ccc(C)c(C)c1[O-] ZINC001116445836 802353358 /nfs/dbraw/zinc/35/33/58/802353358.db2.gz AQZZPNRIQHSGFY-UHFFFAOYSA-N -1 3 299.374 3.176 20 0 CGADHM CC(C)c1ocnc1CN1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC001118323412 802550195 /nfs/dbraw/zinc/55/01/95/802550195.db2.gz IGIDCNJVYKCRMC-GFCCVEGCSA-N -1 3 294.395 3.121 20 0 CGADHM Cc1csc([C@H](C)NCc2c(F)ccc([O-])c2F)n1 ZINC001120027195 802726587 /nfs/dbraw/zinc/72/65/87/802726587.db2.gz NCPWAXHDTOAXGL-QMMMGPOBSA-N -1 3 284.331 3.286 20 0 CGADHM O=C(c1ccc(O)cc1[O-])N1CCC[C@H](C2CCCC2)C1 ZINC001124043442 802991304 /nfs/dbraw/zinc/99/13/04/802991304.db2.gz FFQHJLOAYWYMRW-ZDUSSCGKSA-N -1 3 289.375 3.140 20 0 CGADHM OCCc1ccc(-c2ccc3c(c2)[N-]C(=S)C3)cc1 ZINC001243851438 803050456 /nfs/dbraw/zinc/05/04/56/803050456.db2.gz GFZZXYMQAAQTMG-UHFFFAOYSA-N -1 3 269.369 3.184 20 0 CGADHM [O-]c1cccc(Cl)c1-c1cnc(N2CCCC2)nc1 ZINC001244033064 803152243 /nfs/dbraw/zinc/15/22/43/803152243.db2.gz KZKWXHXUAODUAX-UHFFFAOYSA-N -1 3 275.739 3.103 20 0 CGADHM Cc1cncc(-c2cc(C(F)(F)F)[n-]c(=S)n2)c1C ZINC001244150474 803210959 /nfs/dbraw/zinc/21/09/59/803210959.db2.gz AANANDSRLALPRC-UHFFFAOYSA-N -1 3 285.294 3.463 20 0 CGADHM CC(C)c1ccc(N)c(-c2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC001244225737 803248750 /nfs/dbraw/zinc/24/87/50/803248750.db2.gz AWBXAUPSPBKVPQ-UHFFFAOYSA-N -1 3 297.337 3.378 20 0 CGADHM CC(C)c1ccc(N)c(-c2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC001244225737 803248756 /nfs/dbraw/zinc/24/87/56/803248756.db2.gz AWBXAUPSPBKVPQ-UHFFFAOYSA-N -1 3 297.337 3.378 20 0 CGADHM OCc1c(F)cc(-c2ccc3c(c2)[N-]C(=S)C3)cc1F ZINC001244341795 803316113 /nfs/dbraw/zinc/31/61/13/803316113.db2.gz CBFTUMLHKJQGKS-UHFFFAOYSA-N -1 3 291.322 3.420 20 0 CGADHM CCOc1cc(-c2cccc(-c3nnn[n-]3)c2)ccc1C ZINC001244441652 803366876 /nfs/dbraw/zinc/36/68/76/803366876.db2.gz AEVKKGZNHZSDDR-UHFFFAOYSA-N -1 3 280.331 3.241 20 0 CGADHM CCOc1cc(-c2cccc(-c3nn[n-]n3)c2)ccc1C ZINC001244441652 803366881 /nfs/dbraw/zinc/36/68/81/803366881.db2.gz AEVKKGZNHZSDDR-UHFFFAOYSA-N -1 3 280.331 3.241 20 0 CGADHM CCc1cc(-c2cc(OC(F)(F)F)ccc2[O-])ncn1 ZINC001244458838 803379422 /nfs/dbraw/zinc/37/94/22/803379422.db2.gz WUTCAVHYSDCTSH-UHFFFAOYSA-N -1 3 284.237 3.310 20 0 CGADHM COC(=O)c1cc(C)c(-c2ccc(Cl)cc2[O-])cn1 ZINC001244469225 803385374 /nfs/dbraw/zinc/38/53/74/803385374.db2.gz BPHVWZSVVMMZJM-UHFFFAOYSA-N -1 3 277.707 3.203 20 0 CGADHM NC(=O)CCc1cccc(-c2ccc(Cl)cc2[O-])c1 ZINC001244473764 803388380 /nfs/dbraw/zinc/38/83/80/803388380.db2.gz ZHZMJWAZXRJASU-UHFFFAOYSA-N -1 3 275.735 3.131 20 0 CGADHM Cc1cc(NC2CC2)nc(-c2cc(C)c(F)c([O-])c2)n1 ZINC001244496113 803403654 /nfs/dbraw/zinc/40/36/54/803403654.db2.gz KMWVIURQERPGAB-UHFFFAOYSA-N -1 3 273.311 3.179 20 0 CGADHM CN(C)Cc1cccc(-c2cc(F)c([O-])c(Cl)c2)n1 ZINC001244501622 803407860 /nfs/dbraw/zinc/40/78/60/803407860.db2.gz ZRCYTSBQXMMQRY-UHFFFAOYSA-N -1 3 280.730 3.308 20 0 CGADHM Nc1nc2cc(-c3cc(F)c([O-])c(Cl)c3)ccc2[nH]1 ZINC001244502259 803409265 /nfs/dbraw/zinc/40/92/65/803409265.db2.gz KPFCMRDXOSHXHI-UHFFFAOYSA-N -1 3 277.686 3.310 20 0 CGADHM Cc1nc2ncc(-c3cc(C)c(F)c([O-])c3)nc2s1 ZINC001244506427 803410070 /nfs/dbraw/zinc/41/00/70/803410070.db2.gz PMQOAQMGZCQPSD-UHFFFAOYSA-N -1 3 275.308 3.215 20 0 CGADHM CCOC(=O)c1cc(-c2cc(C)c(F)c([O-])c2)ncc1C ZINC001244507900 803411215 /nfs/dbraw/zinc/41/12/15/803411215.db2.gz ZUXIEUBTMBJQSW-UHFFFAOYSA-N -1 3 289.306 3.387 20 0 CGADHM CSc1ncc(C)c(-c2cc(C)c(F)c([O-])c2)n1 ZINC001244507057 803411376 /nfs/dbraw/zinc/41/13/76/803411376.db2.gz SLQKBFLOISZXMJ-UHFFFAOYSA-N -1 3 264.325 3.327 20 0 CGADHM Cc1noc(-c2cccnc2-c2cc(C)c(F)c([O-])c2)n1 ZINC001244507389 803411408 /nfs/dbraw/zinc/41/14/08/803411408.db2.gz KBAPYYGMCAOTKT-UHFFFAOYSA-N -1 3 285.278 3.260 20 0 CGADHM Cc1cc(-c2ccc(-c3cccnc3)nn2)cc([O-])c1F ZINC001244506954 803411452 /nfs/dbraw/zinc/41/14/52/803411452.db2.gz JGXGMEFYLMKLPS-UHFFFAOYSA-N -1 3 281.290 3.359 20 0 CGADHM Cc1cc(-c2cncc3cccnc32)cc([O-])c1F ZINC001244514818 803413567 /nfs/dbraw/zinc/41/35/67/803413567.db2.gz DPHSIRKBUARHSM-UHFFFAOYSA-N -1 3 254.264 3.450 20 0 CGADHM Cc1cc(-c2ccc3c(c2)CNC(=O)N3)cc([O-])c1F ZINC001244515689 803413966 /nfs/dbraw/zinc/41/39/66/803413966.db2.gz KEONLHWUNXEMRJ-UHFFFAOYSA-N -1 3 272.279 3.142 20 0 CGADHM Cc1cc(-c2cnc(N(C)C)cc2C)cc([O-])c1F ZINC001244515218 803414231 /nfs/dbraw/zinc/41/42/31/803414231.db2.gz FLPCLIMCTOVJTQ-UHFFFAOYSA-N -1 3 260.312 3.276 20 0 CGADHM Cc1cc(-c2cccc3c2C(=O)N(C)CC3)cc([O-])c1F ZINC001244524937 803417659 /nfs/dbraw/zinc/41/76/59/803417659.db2.gz JFVXPMQNCKDLOW-UHFFFAOYSA-N -1 3 285.318 3.135 20 0 CGADHM CCOc1cc(-c2cc(C)c(F)c([O-])c2)cnc1F ZINC001244525855 803418759 /nfs/dbraw/zinc/41/87/59/803418759.db2.gz UPKSZGDBCZXXRE-UHFFFAOYSA-N -1 3 265.259 3.440 20 0 CGADHM Cc1cc(-c2ccc3c(c2)C(=O)N(C)CC3)cc([O-])c1F ZINC001244526253 803419720 /nfs/dbraw/zinc/41/97/20/803419720.db2.gz VJGYOVINKKPGOE-UHFFFAOYSA-N -1 3 285.318 3.135 20 0 CGADHM CCOc1ccc(C)c(-c2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC001244872015 803558415 /nfs/dbraw/zinc/55/84/15/803558415.db2.gz NDQGQCYECLSSRP-UHFFFAOYSA-N -1 3 298.321 3.380 20 0 CGADHM CCOc1ccc(C)c(-c2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC001244872015 803558420 /nfs/dbraw/zinc/55/84/20/803558420.db2.gz NDQGQCYECLSSRP-UHFFFAOYSA-N -1 3 298.321 3.380 20 0 CGADHM Cc1c(F)ccc(F)c1-c1cc(-c2nnn[n-]2)ccc1F ZINC001244986022 803604662 /nfs/dbraw/zinc/60/46/62/803604662.db2.gz VHLQEFLBDSVOKS-UHFFFAOYSA-N -1 3 290.248 3.259 20 0 CGADHM Cc1c(F)ccc(F)c1-c1cc(-c2nn[n-]n2)ccc1F ZINC001244986022 803604665 /nfs/dbraw/zinc/60/46/65/803604665.db2.gz VHLQEFLBDSVOKS-UHFFFAOYSA-N -1 3 290.248 3.259 20 0 CGADHM [O-]c1ccc(Cl)cc1-c1cnc(OCC2CC2)nc1 ZINC001245052762 803623861 /nfs/dbraw/zinc/62/38/61/803623861.db2.gz MDJWDAWPGGPILP-UHFFFAOYSA-N -1 3 276.723 3.291 20 0 CGADHM CCCOc1nccnc1-c1ccc([O-])cc1Cl ZINC001245078828 803635094 /nfs/dbraw/zinc/63/50/94/803635094.db2.gz IRBZNAKQVHBBOC-UHFFFAOYSA-N -1 3 264.712 3.291 20 0 CGADHM COc1nc(SC)ncc1-c1ccc([O-])cc1Cl ZINC001245081165 803635292 /nfs/dbraw/zinc/63/52/92/803635292.db2.gz AXNWLASSOMFDCE-UHFFFAOYSA-N -1 3 282.752 3.233 20 0 CGADHM [O-]c1ccc(-c2ncc(C(F)F)cn2)c(Cl)c1 ZINC001245079973 803635826 /nfs/dbraw/zinc/63/58/26/803635826.db2.gz TZUIYRBQCMWGLF-UHFFFAOYSA-N -1 3 256.639 3.440 20 0 CGADHM COC(=O)c1cnc(-c2ccc([O-])cc2Cl)c(F)c1 ZINC001245081137 803635880 /nfs/dbraw/zinc/63/58/80/803635880.db2.gz ALEJKDPSBNRLCK-UHFFFAOYSA-N -1 3 281.670 3.033 20 0 CGADHM [O-]c1ccc(-c2ncnc3ncccc32)c(Cl)c1 ZINC001245082144 803636226 /nfs/dbraw/zinc/63/62/26/803636226.db2.gz VNHXHRGNQKEKQB-UHFFFAOYSA-N -1 3 257.680 3.051 20 0 CGADHM Cc1cc2cnc(-c3ccc([O-])cc3Cl)nc2[nH]1 ZINC001245082045 803636231 /nfs/dbraw/zinc/63/62/31/803636231.db2.gz QHXSTVZSHCLERO-UHFFFAOYSA-N -1 3 259.696 3.244 20 0 CGADHM COc1nccc2c(-c3ccc([O-])cc3Cl)ncnc21 ZINC001245081319 803636735 /nfs/dbraw/zinc/63/67/35/803636735.db2.gz FABGPUOXJKDXFA-UHFFFAOYSA-N -1 3 287.706 3.059 20 0 CGADHM Fc1ccc(Cl)c(-c2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC001245135449 803648444 /nfs/dbraw/zinc/64/84/44/803648444.db2.gz HIOIYXBDPGVHHZ-UHFFFAOYSA-N -1 3 292.676 3.465 20 0 CGADHM Fc1ccc(Cl)c(-c2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC001245135449 803648445 /nfs/dbraw/zinc/64/84/45/803648445.db2.gz HIOIYXBDPGVHHZ-UHFFFAOYSA-N -1 3 292.676 3.465 20 0 CGADHM Cc1cc(C[C@@H](C)Nc2ccc([O-])c(F)c2F)on1 ZINC001211997713 814964501 /nfs/dbraw/zinc/96/45/01/814964501.db2.gz HPFGUZSRXMFVAC-SSDOTTSWSA-N -1 3 268.263 3.010 20 0 CGADHM Cc1cc(N)c(Nc2ccc([O-])c(F)c2F)cc1F ZINC001212008738 814965724 /nfs/dbraw/zinc/96/57/24/814965724.db2.gz AQNYFMWPTWWZBF-UHFFFAOYSA-N -1 3 268.238 3.444 20 0 CGADHM O=c1[nH]ccc2cc(Nc3ccc([O-])c(F)c3F)ccc21 ZINC001212009867 814966601 /nfs/dbraw/zinc/96/66/01/814966601.db2.gz VZSFVWJONBTECB-UHFFFAOYSA-N -1 3 288.253 3.256 20 0 CGADHM c1coc(-c2ccc(-c3ccccc3-c3nnn[n-]3)cc2)n1 ZINC001245620581 803862109 /nfs/dbraw/zinc/86/21/09/803862109.db2.gz OFXBSXKSQXRRON-UHFFFAOYSA-N -1 3 289.298 3.189 20 0 CGADHM c1coc(-c2ccc(-c3ccccc3-c3nn[n-]n3)cc2)n1 ZINC001245620581 803862116 /nfs/dbraw/zinc/86/21/16/803862116.db2.gz OFXBSXKSQXRRON-UHFFFAOYSA-N -1 3 289.298 3.189 20 0 CGADHM CCOC(=O)Cc1ccc(-c2c([O-])cccc2F)cc1F ZINC001245653279 803884088 /nfs/dbraw/zinc/88/40/88/803884088.db2.gz BUYDZDITTWOYML-UHFFFAOYSA-N -1 3 292.281 3.443 20 0 CGADHM CCc1cc(-c2cc(-c3nnn[n-]3)ccc2F)ccc1OC ZINC001245793735 803965900 /nfs/dbraw/zinc/96/59/00/803965900.db2.gz ZCLNTXUSTKJBJW-UHFFFAOYSA-N -1 3 298.321 3.244 20 0 CGADHM CCc1cc(-c2cc(-c3nn[n-]n3)ccc2F)ccc1OC ZINC001245793735 803965909 /nfs/dbraw/zinc/96/59/09/803965909.db2.gz ZCLNTXUSTKJBJW-UHFFFAOYSA-N -1 3 298.321 3.244 20 0 CGADHM CCc1ccc(C(=O)N[C@@H]2C[C@H]2c2cccc(F)c2)c([O-])c1 ZINC001139892496 804319106 /nfs/dbraw/zinc/31/91/06/804319106.db2.gz SRMBUDITNSEJCN-JKSUJKDBSA-N -1 3 299.345 3.380 20 0 CGADHM O=C([O-])c1ccccc1CN1CCSc2ccccc2C1 ZINC001140502902 804448095 /nfs/dbraw/zinc/44/80/95/804448095.db2.gz GNWQKUGPZMZGDS-UHFFFAOYSA-N -1 3 299.395 3.493 20 0 CGADHM [O-]c1cccc(CN2CCCC23CC3)c1Br ZINC001140547929 804458431 /nfs/dbraw/zinc/45/84/31/804458431.db2.gz VOZZPPXHGGAWKL-UHFFFAOYSA-N -1 3 282.181 3.283 20 0 CGADHM C[C@H]1CCCN(Cc2ccc([O-])c(F)c2F)[C@H]1C ZINC001140892771 804543588 /nfs/dbraw/zinc/54/35/88/804543588.db2.gz ADIWVGOKHWWSAZ-UWVGGRQHSA-N -1 3 255.308 3.291 20 0 CGADHM CC[C@@H]1CCC[C@H]1CNC(=O)c1c(C)cccc1[O-] ZINC001140981183 804561483 /nfs/dbraw/zinc/56/14/83/804561483.db2.gz GOIPENMZQZCWDN-OLZOCXBDSA-N -1 3 261.365 3.257 20 0 CGADHM [O-]c1c(F)cc(CN2CC[C@@H](c3ccccn3)C2)cc1F ZINC001140990949 804564980 /nfs/dbraw/zinc/56/49/80/804564980.db2.gz FIFNPYCESWOEIJ-GFCCVEGCSA-N -1 3 290.313 3.055 20 0 CGADHM CC[C@@H](C)CC[N-]S(=O)(=O)c1cc(C)c(Cl)s1 ZINC001212435237 815027951 /nfs/dbraw/zinc/02/79/51/815027951.db2.gz HHSBGAIICDCIGU-MRVPVSSYSA-N -1 3 295.857 3.424 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C ZINC001141518271 804649759 /nfs/dbraw/zinc/64/97/59/804649759.db2.gz KXONWTLCDBOCLU-YNEHKIRRSA-N -1 3 253.386 3.319 20 0 CGADHM CC(=O)c1ccc2c(c1)CN(C(=O)c1c(C)cccc1[O-])C2 ZINC001142075575 804693494 /nfs/dbraw/zinc/69/34/94/804693494.db2.gz JITYNJMPLIZDBQ-UHFFFAOYSA-N -1 3 295.338 3.059 20 0 CGADHM COC[C@H]1CCCN1Cc1c(Cl)cc([O-])cc1Cl ZINC001142105797 804695146 /nfs/dbraw/zinc/69/51/46/804695146.db2.gz NULYQHVRIXZKIU-SECBINFHSA-N -1 3 290.190 3.310 20 0 CGADHM O=C([O-])c1cc(Cl)ccc1CN1CCC2(CC2)CC1 ZINC001142646969 804748118 /nfs/dbraw/zinc/74/81/18/804748118.db2.gz KOYMMDJBBRXGHR-UHFFFAOYSA-N -1 3 279.767 3.414 20 0 CGADHM CCc1cccnc1-c1noc(Cc2ccc([O-])c(F)c2)n1 ZINC001247571432 804776714 /nfs/dbraw/zinc/77/67/14/804776714.db2.gz QVGNAEABHLQMCU-UHFFFAOYSA-N -1 3 299.305 3.130 20 0 CGADHM CCC(C)=C(C)C(=O)Nc1cc(C(=O)OC(C)(C)C)n[n-]1 ZINC001142905605 804781848 /nfs/dbraw/zinc/78/18/48/804781848.db2.gz JUTWRVBBCFWKAN-MDZDMXLPSA-N -1 3 293.367 3.050 20 0 CGADHM CC/C(C)=C(\C)C(=O)Nc1cc(C(=O)OC(C)(C)C)[n-]n1 ZINC001142905605 804781852 /nfs/dbraw/zinc/78/18/52/804781852.db2.gz JUTWRVBBCFWKAN-MDZDMXLPSA-N -1 3 293.367 3.050 20 0 CGADHM [O-]c1cncc(-c2nnc(CCC3CCCCC3)o2)c1 ZINC001256835806 806989791 /nfs/dbraw/zinc/98/97/91/806989791.db2.gz CTOQLZDMIOXKCH-UHFFFAOYSA-N -1 3 273.336 3.350 20 0 CGADHM COc1c(F)ccc(Nc2ncc(Cl)cc2[O-])c1F ZINC001212494550 815041074 /nfs/dbraw/zinc/04/10/74/815041074.db2.gz PZZBTBKVGSZHMR-UHFFFAOYSA-N -1 3 286.665 3.471 20 0 CGADHM C[C@@H]1C[C@H](NC(=O)Cc2ccc([O-])c(F)c2)CC(C)(C)C1 ZINC001144633000 805017008 /nfs/dbraw/zinc/01/70/08/805017008.db2.gz ZTYIIWYDHFZTMT-YPMHNXCESA-N -1 3 293.382 3.405 20 0 CGADHM [O-]c1cc(F)c(CN2CCC3(CCCOC3)CC2)cc1F ZINC001144659688 805026366 /nfs/dbraw/zinc/02/63/66/805026366.db2.gz PBUMHLRXSFKWFW-UHFFFAOYSA-N -1 3 297.345 3.063 20 0 CGADHM O=C([O-])c1ccsc1CN1CCC[C@@H]1c1cccnc1 ZINC001144664249 805027644 /nfs/dbraw/zinc/02/76/44/805027644.db2.gz BWQSQZHAEQQSPI-CYBMUJFWSA-N -1 3 288.372 3.178 20 0 CGADHM C[C@@]1(F)CCCCN(Cc2sccc2C(=O)[O-])C1 ZINC001144664238 805027778 /nfs/dbraw/zinc/02/77/78/805027778.db2.gz BKPVQFYJVJXYMB-CYBMUJFWSA-N -1 3 271.357 3.160 20 0 CGADHM O=C([O-])c1ccsc1CN1CC[C@@H](F)C(F)(F)CC1 ZINC001144664309 805028134 /nfs/dbraw/zinc/02/81/34/805028134.db2.gz DNXSIKNZPQQOAF-SNVBAGLBSA-N -1 3 293.310 3.016 20 0 CGADHM C[C@@H]1CCCC[C@H]1CCNC(=O)c1ccccc1[O-] ZINC001146712412 805082598 /nfs/dbraw/zinc/08/25/98/805082598.db2.gz VNZGSKRFKLHHQO-OLZOCXBDSA-N -1 3 261.365 3.338 20 0 CGADHM CC(=O)c1cccc([O-])c1NC(=O)CC1=CCCCC1 ZINC001146738541 805086334 /nfs/dbraw/zinc/08/63/34/805086334.db2.gz JSMLCXLWGMHRKF-UHFFFAOYSA-N -1 3 273.332 3.424 20 0 CGADHM COc1cccc([O-])c1C(=O)NC[C@H](C)c1ccc(C)cc1 ZINC001147211539 805115904 /nfs/dbraw/zinc/11/59/04/805115904.db2.gz WOUCIEDWZMFIFB-ZDUSSCGKSA-N -1 3 299.370 3.243 20 0 CGADHM Cc1ccc(C(=O)Nc2ccc(C3(C)COC3)cc2)c([O-])c1 ZINC001148505852 805191378 /nfs/dbraw/zinc/19/13/78/805191378.db2.gz JFNYOWUUVKLFTL-UHFFFAOYSA-N -1 3 297.354 3.241 20 0 CGADHM CC(=O)c1cc(C(=O)NCCC2=CCCCC2)ccc1[O-] ZINC001148668415 805204816 /nfs/dbraw/zinc/20/48/16/805204816.db2.gz CYCWAOJTHRFZFT-UHFFFAOYSA-N -1 3 287.359 3.215 20 0 CGADHM CN(Cc1ccc(F)c(C(=O)[O-])c1F)C1CCCC1 ZINC001249774008 805239977 /nfs/dbraw/zinc/23/99/77/805239977.db2.gz QNXYTNFWYANLEN-UHFFFAOYSA-N -1 3 269.291 3.037 20 0 CGADHM O=C(Nc1cc([O-])cc(Cl)c1)c1cnc2[nH]ccc2c1 ZINC001151019689 805278542 /nfs/dbraw/zinc/27/85/42/805278542.db2.gz OZCJNKSNKPKVDN-UHFFFAOYSA-N -1 3 287.706 3.126 20 0 CGADHM COc1cccc(C(=O)Cc2c(F)ccc([O-])c2F)c1 ZINC001249898466 805287716 /nfs/dbraw/zinc/28/77/16/805287716.db2.gz AUFCPQYAUBAVIY-UHFFFAOYSA-N -1 3 278.254 3.104 20 0 CGADHM Cc1sccc1NC(=O)Cc1ccc([O-])c(F)c1 ZINC001151424719 805288768 /nfs/dbraw/zinc/28/87/68/805288768.db2.gz GOAXLBWGTAFTBU-UHFFFAOYSA-N -1 3 265.309 3.082 20 0 CGADHM O=C(Nc1cc([O-])cc(Cl)c1)c1ccc2cc[nH]c2n1 ZINC001151598679 805298823 /nfs/dbraw/zinc/29/88/23/805298823.db2.gz JLPZMSFJWDBYLY-UHFFFAOYSA-N -1 3 287.706 3.174 20 0 CGADHM Cc1ccnc(F)c1Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001212555579 815066335 /nfs/dbraw/zinc/06/63/35/815066335.db2.gz GDUYMAGWBOVZNV-UHFFFAOYSA-N -1 3 284.294 3.164 20 0 CGADHM Cc1ccc(C(=O)Nc2cccc3c2OCCCO3)c([O-])c1 ZINC001152804046 805368037 /nfs/dbraw/zinc/36/80/37/805368037.db2.gz SUGQQUGZMMQYHH-UHFFFAOYSA-N -1 3 299.326 3.114 20 0 CGADHM Nc1ccn(-c2cc(Cl)c([O-])cc2F)c2nccc1-2 ZINC001250020239 805371188 /nfs/dbraw/zinc/37/11/88/805371188.db2.gz GQGNWDJBDCDLED-UHFFFAOYSA-N -1 3 277.686 3.057 20 0 CGADHM O=C(Nc1cc([O-])cc(Cl)c1)c1ccc2c(c1)OCC2 ZINC001153360434 805394333 /nfs/dbraw/zinc/39/43/33/805394333.db2.gz JWFCNDJWBFOJKE-UHFFFAOYSA-N -1 3 289.718 3.233 20 0 CGADHM CCOc1cc(F)c([N-]c2nonc2C)cc1Cl ZINC001250067846 805401110 /nfs/dbraw/zinc/40/11/10/805401110.db2.gz FPZOUTFUWMIUOX-UHFFFAOYSA-N -1 3 271.679 3.313 20 0 CGADHM O=C(N[C@@H]1CC=CCC1)c1c(O)cc2ccccc2c1[O-] ZINC001154029606 805428566 /nfs/dbraw/zinc/42/85/66/805428566.db2.gz BKXSMWWVVPABGN-GFCCVEGCSA-N -1 3 283.327 3.090 20 0 CGADHM C[C@H]1CCN1C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC001154240084 805443678 /nfs/dbraw/zinc/44/36/78/805443678.db2.gz AGCKLXIFWAICQB-AWEZNQCLSA-N -1 3 295.382 3.412 20 0 CGADHM CN(C)C(=O)c1cccc(Nc2ccc(Cl)c([O-])c2)c1 ZINC001212592332 815079819 /nfs/dbraw/zinc/07/98/19/815079819.db2.gz KOLIKSSHWZPATN-UHFFFAOYSA-N -1 3 290.750 3.491 20 0 CGADHM Nc1cc2c(cc1Nc1ccc(Cl)c([O-])c1)OCO2 ZINC001212593329 815079828 /nfs/dbraw/zinc/07/98/28/815079828.db2.gz LXDANBHUQDLRKB-UHFFFAOYSA-N -1 3 278.695 3.100 20 0 CGADHM O=C1NCc2cccc(Nc3ccc(Cl)c([O-])c3)c2N1 ZINC001212595466 815080812 /nfs/dbraw/zinc/08/08/12/815080812.db2.gz VMLQPYYCABXDPL-UHFFFAOYSA-N -1 3 289.722 3.424 20 0 CGADHM Cc1nocc1C=C([O-])c1ccc(C(F)(F)F)cc1 ZINC001250238978 805513007 /nfs/dbraw/zinc/51/30/07/805513007.db2.gz PQWHUXRCUQJDAS-UHFFFAOYSA-N -1 3 269.222 3.427 20 0 CGADHM CS(=O)(=O)c1ccc(Cc2cccc(Cl)c2[O-])cc1 ZINC001250255780 805525037 /nfs/dbraw/zinc/52/50/37/805525037.db2.gz GWNIKGRSVYDRKO-UHFFFAOYSA-N -1 3 296.775 3.040 20 0 CGADHM COc1ccc(F)c(Nc2cnc(C)[n-]c2=O)c1Cl ZINC001250307524 805558489 /nfs/dbraw/zinc/55/84/89/805558489.db2.gz ULVRRSZADNTECP-UHFFFAOYSA-N -1 3 283.690 3.035 20 0 CGADHM COc1cc(-c2nnc(CCC(C)C)o2)cc(OC)c1[O-] ZINC001258264088 807387907 /nfs/dbraw/zinc/38/79/07/807387907.db2.gz JTMBAEVBARTOFS-UHFFFAOYSA-N -1 3 292.335 3.048 20 0 CGADHM COc1ccc([C@H]2C[C@@H](NC3=CC=C[CH]3)CCO2)cc1 ZINC001168604471 807455430 /nfs/dbraw/zinc/45/54/30/807455430.db2.gz ACCUPZYLOOTDRV-DOTOQJQBSA-N -1 3 270.352 3.163 20 0 CGADHM CC[C@@H](C)C[C@H](C)Nc1ccccc1-c1nnn[n-]1 ZINC001168692961 807484002 /nfs/dbraw/zinc/48/40/02/807484002.db2.gz ZVHKOECPIDBVPX-MNOVXSKESA-N -1 3 259.357 3.103 20 0 CGADHM CC[C@@H](C)C[C@H](C)Nc1ccccc1-c1nn[n-]n1 ZINC001168692961 807484004 /nfs/dbraw/zinc/48/40/04/807484004.db2.gz ZVHKOECPIDBVPX-MNOVXSKESA-N -1 3 259.357 3.103 20 0 CGADHM Cc1ccc(-c2nnc(CC3CCCC3)o2)c([O-])c1 ZINC001258601483 807499305 /nfs/dbraw/zinc/49/93/05/807499305.db2.gz APHPUXHDSVRWOS-UHFFFAOYSA-N -1 3 258.321 3.483 20 0 CGADHM Cc1ccc(-c2nnc(-c3cc(Cl)n[n-]3)o2)cc1F ZINC001258776607 807606439 /nfs/dbraw/zinc/60/64/39/807606439.db2.gz LDQHPSDJEIOHCP-UHFFFAOYSA-N -1 3 278.674 3.228 20 0 CGADHM CN(Cc1cc(=O)[n-]c(C2CC2)n1)c1cccc2cc[nH]c21 ZINC001262018098 807807230 /nfs/dbraw/zinc/80/72/30/807807230.db2.gz VZKJZSQVNPAIIS-UHFFFAOYSA-N -1 3 294.358 3.177 20 0 CGADHM CCc1nnc([N-]C(=O)c2cscc2Cl)s1 ZINC001264181655 808044163 /nfs/dbraw/zinc/04/41/63/808044163.db2.gz OLECLCHZRSCCBM-UHFFFAOYSA-N -1 3 273.770 3.068 20 0 CGADHM CC(=O)c1cccc([N-]c2nnc(C(C)(C)C)o2)c1 ZINC001173898271 808751193 /nfs/dbraw/zinc/75/11/93/808751193.db2.gz KQNVTZTXKYJRLN-UHFFFAOYSA-N -1 3 259.309 3.313 20 0 CGADHM COc1cccc(Nc2cc(=O)n(-c3ccccc3)[n-]2)c1F ZINC001173971047 808795912 /nfs/dbraw/zinc/79/59/12/808795912.db2.gz GAVAYEDQTRQIRE-UHFFFAOYSA-N -1 3 299.305 3.469 20 0 CGADHM [O-]c1cccc(Nc2cncc(F)c2)c1Br ZINC001174292172 808936580 /nfs/dbraw/zinc/93/65/80/808936580.db2.gz LNRQWDIKMXERRO-UHFFFAOYSA-N -1 3 283.100 3.432 20 0 CGADHM [O-]c1cccc2sc(Nc3cnc4nccnc4c3)nc21 ZINC001213208046 815254698 /nfs/dbraw/zinc/25/46/98/815254698.db2.gz SVWHQRSPZGOTFW-UHFFFAOYSA-N -1 3 295.327 3.084 20 0 CGADHM [O-]c1cc(Nc2ccc3cn[nH]c3c2)c(F)cc1F ZINC001174500044 809047944 /nfs/dbraw/zinc/04/79/44/809047944.db2.gz ILHXJDIUEGBOFD-UHFFFAOYSA-N -1 3 261.231 3.290 20 0 CGADHM CNC(=O)c1ccc(Nc2cccc([O-])c2Cl)cc1 ZINC001174512626 809056567 /nfs/dbraw/zinc/05/65/67/809056567.db2.gz UXZBJWJLKIXPLQ-UHFFFAOYSA-N -1 3 276.723 3.149 20 0 CGADHM CCn1cc(Nc2ccc(C)c([O-])c2Cl)cn1 ZINC001174572418 809089685 /nfs/dbraw/zinc/08/96/85/809089685.db2.gz RYOGWHXHWVFPOQ-UHFFFAOYSA-N -1 3 251.717 3.314 20 0 CGADHM O=c1cc(Nc2ccc3cc[nH]c3c2)nc(C2CC2)[n-]1 ZINC001174746873 809150916 /nfs/dbraw/zinc/15/09/16/809150916.db2.gz JFXVLIAZSDRTSU-UHFFFAOYSA-N -1 3 266.304 3.285 20 0 CGADHM CC(C)Cc1ccccc1C[N-]C(=O)C(F)(F)C(F)F ZINC001280351179 809185629 /nfs/dbraw/zinc/18/56/29/809185629.db2.gz KAABDPXSYDTMSC-UHFFFAOYSA-N -1 3 291.288 3.402 20 0 CGADHM Fc1cc([N-]c2nonc2C2CC2)cc(F)c1F ZINC001174957764 809215182 /nfs/dbraw/zinc/21/51/82/809215182.db2.gz AEXSNNHOABCMJL-UHFFFAOYSA-N -1 3 255.199 3.108 20 0 CGADHM CN(C)c1cccc([N-]c2nnc(-c3ccco3)o2)c1 ZINC001174961125 809217194 /nfs/dbraw/zinc/21/71/94/809217194.db2.gz PGPLOKTYVHEOCW-UHFFFAOYSA-N -1 3 270.292 3.139 20 0 CGADHM COc1cnc(Cl)c(Nc2cc(F)c([O-])c(F)c2)c1 ZINC001213375076 815271733 /nfs/dbraw/zinc/27/17/33/815271733.db2.gz OKCCMCDXLVZFHG-UHFFFAOYSA-N -1 3 286.665 3.471 20 0 CGADHM CCCCOc1ccccc1[N-]c1nonc1OC ZINC001175000165 809234343 /nfs/dbraw/zinc/23/43/43/809234343.db2.gz NUVIBVIYFDDUKK-UHFFFAOYSA-N -1 3 263.297 3.001 20 0 CGADHM Cc1nc(Nc2cc(F)cc(C(F)(F)F)c2)cc(=O)[n-]1 ZINC001175062622 809257193 /nfs/dbraw/zinc/25/71/93/809257193.db2.gz LIWMKQFABYKELV-UHFFFAOYSA-N -1 3 287.216 3.392 20 0 CGADHM CC(=O)c1ccc(Nc2c(F)cc([O-])cc2F)cc1O ZINC001175098079 809269773 /nfs/dbraw/zinc/26/97/73/809269773.db2.gz XLYQYUYLEGJRDL-UHFFFAOYSA-N -1 3 279.242 3.322 20 0 CGADHM [O-]c1cc(F)c(Nc2ccc3ncncc3c2)c(F)c1 ZINC001175099417 809269787 /nfs/dbraw/zinc/26/97/87/809269787.db2.gz FUNAIGYXCNPEOQ-UHFFFAOYSA-N -1 3 273.242 3.357 20 0 CGADHM [O-]c1cc(F)c(Nc2c(CO)ccc(F)c2F)c(F)c1 ZINC001175099531 809271106 /nfs/dbraw/zinc/27/11/06/809271106.db2.gz LFFHUXDHCUDSIH-UHFFFAOYSA-N -1 3 287.212 3.185 20 0 CGADHM Cc1cc(N)c(Nc2c(F)cc([O-])cc2F)cc1F ZINC001175100466 809271949 /nfs/dbraw/zinc/27/19/49/809271949.db2.gz UZKKLNMSVCEXAF-UHFFFAOYSA-N -1 3 268.238 3.444 20 0 CGADHM COc1cc(Nc2ccc([O-])c(F)c2F)cc(OC)c1 ZINC001175108337 809274817 /nfs/dbraw/zinc/27/48/17/809274817.db2.gz NBRWVFVLMPCTDL-UHFFFAOYSA-N -1 3 281.258 3.431 20 0 CGADHM [O-]c1cc(Nc2cc(CO)ccc2F)c(F)cc1F ZINC001175130247 809283271 /nfs/dbraw/zinc/28/32/71/809283271.db2.gz BLKIWRGBXAHLOO-UHFFFAOYSA-N -1 3 269.222 3.045 20 0 CGADHM Cc1cc(C)n2ccc(C(=O)Nc3ccc(F)c([O-])c3)c2n1 ZINC001175138638 809286068 /nfs/dbraw/zinc/28/60/68/809286068.db2.gz YSRLDSMFBBFWMW-UHFFFAOYSA-N -1 3 299.305 3.048 20 0 CGADHM CCOc1ccc(OC)cc1Nc1ncc(F)cc1[O-] ZINC001175212778 809310408 /nfs/dbraw/zinc/31/04/08/809310408.db2.gz QIWYYXIMEXMSBX-UHFFFAOYSA-N -1 3 278.283 3.077 20 0 CGADHM CCOc1cccc(F)c1[N-]c1nnc(CC)s1 ZINC001175221277 809312837 /nfs/dbraw/zinc/31/28/37/809312837.db2.gz CRVOVGRARUGWQX-UHFFFAOYSA-N -1 3 267.329 3.382 20 0 CGADHM COc1cc(C)c(Nc2c(F)ccc([O-])c2F)cn1 ZINC001175262939 809329076 /nfs/dbraw/zinc/32/90/76/809329076.db2.gz DUMZTLWIHQZEEN-UHFFFAOYSA-N -1 3 266.247 3.126 20 0 CGADHM Cn1ncc2ccc(Nc3c(F)ccc([O-])c3F)cc21 ZINC001175264241 809330118 /nfs/dbraw/zinc/33/01/18/809330118.db2.gz DLJLQBOUVWFKSG-UHFFFAOYSA-N -1 3 275.258 3.301 20 0 CGADHM Nc1ccc2nn(-c3c(F)ccc([O-])c3F)c(Cl)c2c1 ZINC001175265373 809331635 /nfs/dbraw/zinc/33/16/35/809331635.db2.gz MWGMMQUIYYGZJH-UHFFFAOYSA-N -1 3 295.676 3.245 20 0 CGADHM CCNC(=O)c1ccccc1Nc1c(F)ccc([O-])c1F ZINC001175268711 809332653 /nfs/dbraw/zinc/33/26/53/809332653.db2.gz QXERXCRBBZRHTQ-UHFFFAOYSA-N -1 3 292.285 3.164 20 0 CGADHM [O-]c1cccc(Nc2cncs2)c1Br ZINC001175508496 809434171 /nfs/dbraw/zinc/43/41/71/809434171.db2.gz WGLROUVJTDISDP-UHFFFAOYSA-N -1 3 271.139 3.355 20 0 CGADHM Cc1ncc(C2CC2)cc1Nc1cc(=O)[n-]c(C2CC2)n1 ZINC001213491385 815290230 /nfs/dbraw/zinc/29/02/30/815290230.db2.gz IQAHIIWPMWALHB-UHFFFAOYSA-N -1 3 282.347 3.384 20 0 CGADHM Clc1cc(-c2nc(-c3ncccc3C3CC3)no2)[n-]n1 ZINC001213500408 815291056 /nfs/dbraw/zinc/29/10/56/815291056.db2.gz GUKUOZNLQLNECN-UHFFFAOYSA-N -1 3 287.710 3.053 20 0 CGADHM Cn1cc2cc(Nc3cc(F)c([O-])c(F)c3)ccc2n1 ZINC001175625349 809479205 /nfs/dbraw/zinc/47/92/05/809479205.db2.gz XOQPXDTWSOTGFO-UHFFFAOYSA-N -1 3 275.258 3.301 20 0 CGADHM Cc1cc(F)c(F)cc1-c1noc(-c2cc(Cl)n[n-]2)n1 ZINC001213501033 815292124 /nfs/dbraw/zinc/29/21/24/815292124.db2.gz XVSKKZHQQOATFR-UHFFFAOYSA-N -1 3 296.664 3.367 20 0 CGADHM CSc1cc(C)c(C(=O)Nc2cc(F)ccc2[O-])o1 ZINC001295978268 809497167 /nfs/dbraw/zinc/49/71/67/809497167.db2.gz DAHHDBPECVEYGK-UHFFFAOYSA-N -1 3 281.308 3.407 20 0 CGADHM CC(C)(CC(=O)Nc1ncccc1[O-])c1ccc(F)cc1 ZINC001296271334 809501387 /nfs/dbraw/zinc/50/13/87/809501387.db2.gz RCTSOKSXECWRBL-UHFFFAOYSA-N -1 3 288.322 3.233 20 0 CGADHM O=C(Nc1c([O-])cccc1Cl)[C@@H]1C[C@H]1c1ccncc1 ZINC001298550784 809533568 /nfs/dbraw/zinc/53/35/68/809533568.db2.gz NMRRVEWUWCZITG-WDEREUQCSA-N -1 3 288.734 3.183 20 0 CGADHM C[C@@H](CC(=O)Nc1c([O-])cccc1Cl)n1cccc1 ZINC001298550473 809533672 /nfs/dbraw/zinc/53/36/72/809533672.db2.gz JDJGAYMNCJDLKE-JTQLQIEISA-N -1 3 278.739 3.437 20 0 CGADHM COc1ccc(C(=O)N[C@@H]2CCC[C@@H]2C(C)(C)C)c([O-])c1 ZINC001299247706 809547573 /nfs/dbraw/zinc/54/75/73/809547573.db2.gz DWOXOATXNAMEOB-UONOGXRCSA-N -1 3 291.391 3.345 20 0 CGADHM Cc1ccc(C(=O)N[C@@H]2C[C@]2(F)c2ccccc2)c([O-])c1 ZINC001299748190 809554052 /nfs/dbraw/zinc/55/40/52/809554052.db2.gz GMKAGZFATZSEOQ-WBVHZDCISA-N -1 3 285.318 3.068 20 0 CGADHM CCC(C)(CC)C(=O)Nc1cc(C(=O)OC(C)(C)C)n[n-]1 ZINC001299813134 809555592 /nfs/dbraw/zinc/55/55/92/809555592.db2.gz LHVXMRBMOMBDPA-UHFFFAOYSA-N -1 3 295.383 3.130 20 0 CGADHM CCC(C)(CC)C(=O)Nc1cc(C(=O)OC(C)(C)C)[n-]n1 ZINC001299813134 809555596 /nfs/dbraw/zinc/55/55/96/809555596.db2.gz LHVXMRBMOMBDPA-UHFFFAOYSA-N -1 3 295.383 3.130 20 0 CGADHM [O-]c1cccc(Nc2cscn2)c1Br ZINC001175946532 809579031 /nfs/dbraw/zinc/57/90/31/809579031.db2.gz XLNVTHBXGVWNQG-UHFFFAOYSA-N -1 3 271.139 3.355 20 0 CGADHM CCc1cccc(C(=O)Nc2cccc3nccnc32)c1[O-] ZINC001302703872 809599399 /nfs/dbraw/zinc/59/93/99/809599399.db2.gz STHKUDFYDWOYNB-UHFFFAOYSA-N -1 3 293.326 3.150 20 0 CGADHM O=c1cc(Nc2cccc3c2OCC3)[n-]n1-c1ccccc1 ZINC001176074831 809615023 /nfs/dbraw/zinc/61/50/23/809615023.db2.gz TUEYTVXQAKMLMY-UHFFFAOYSA-N -1 3 293.326 3.256 20 0 CGADHM CCCCOc1ccc(Nc2cnc[n-]c2=O)c(F)c1F ZINC001176519081 809710273 /nfs/dbraw/zinc/71/02/73/809710273.db2.gz ALDZQGRFIKSXLN-UHFFFAOYSA-N -1 3 295.289 3.383 20 0 CGADHM COc1nscc1[N-]C(=O)c1scc(C)c1Cl ZINC001176768713 809758688 /nfs/dbraw/zinc/75/86/88/809758688.db2.gz JMTOJLYXEZLLBT-UHFFFAOYSA-N -1 3 288.781 3.427 20 0 CGADHM CC(=O)c1cccc([O-])c1NC(=O)C1=Cc2ccccc2C1 ZINC001183978077 810173725 /nfs/dbraw/zinc/17/37/25/810173725.db2.gz BINOABCGFVYWTM-UHFFFAOYSA-N -1 3 293.322 3.173 20 0 CGADHM CC1(C)CCC(CC(=O)Nc2cncc([O-])c2)CC1 ZINC001185966864 810305504 /nfs/dbraw/zinc/30/55/04/810305504.db2.gz WTIZQQWYBIQTTG-UHFFFAOYSA-N -1 3 262.353 3.332 20 0 CGADHM O=S(=O)([N-]c1ccccc1-c1ccco1)C1CCC1 ZINC001188145289 810458298 /nfs/dbraw/zinc/45/82/98/810458298.db2.gz VPORVCLYFXVWIB-UHFFFAOYSA-N -1 3 277.345 3.241 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2ccccc2C(F)F)n1 ZINC001188267490 810473312 /nfs/dbraw/zinc/47/33/12/810473312.db2.gz RRSQLZXFMFLECK-UHFFFAOYSA-N -1 3 278.258 3.286 20 0 CGADHM Cc1cccc([O-])c1C(=O)Nc1ccc(-n2ccnc2)cc1 ZINC001188638762 810497062 /nfs/dbraw/zinc/49/70/62/810497062.db2.gz PXIMJEJGVFFQKK-UHFFFAOYSA-N -1 3 293.326 3.139 20 0 CGADHM Cc1cccc([O-])c1C(=O)Nc1cc2ccccc2oc1=O ZINC001188638764 810497595 /nfs/dbraw/zinc/49/75/95/810497595.db2.gz PXXYHHPQILLIBB-UHFFFAOYSA-N -1 3 295.294 3.059 20 0 CGADHM Cc1ccc(O)c(Nc2ncc(Cl)cc2[O-])c1 ZINC001214218735 815385713 /nfs/dbraw/zinc/38/57/13/815385713.db2.gz KDVPGNBSXGNZCH-UHFFFAOYSA-N -1 3 250.685 3.198 20 0 CGADHM O=C(Nc1ncc([O-])cc1Cl)NC1CCCCCC1 ZINC001191251441 810692779 /nfs/dbraw/zinc/69/27/79/810692779.db2.gz HDAHEWQDSZMNIX-UHFFFAOYSA-N -1 3 283.759 3.285 20 0 CGADHM CCCC[C@H](C)NC(=O)Nc1ccc(F)c([O-])c1 ZINC001193061193 810848844 /nfs/dbraw/zinc/84/88/44/810848844.db2.gz SIKQQGANXPXBCN-VIFPVBQESA-N -1 3 254.305 3.232 20 0 CGADHM CC(=O)c1cccc(NC(=O)OC2CCCC2)c1[O-] ZINC001193562623 810908786 /nfs/dbraw/zinc/90/87/86/810908786.db2.gz INVRHBKVIKQAOK-UHFFFAOYSA-N -1 3 263.293 3.086 20 0 CGADHM Cc1nnc2cc(Nc3c(Cl)ccc([O-])c3F)ccn12 ZINC001214557746 815423038 /nfs/dbraw/zinc/42/30/38/815423038.db2.gz ISGBXKUUGAVWRN-UHFFFAOYSA-N -1 3 292.701 3.279 20 0 CGADHM O=C(Nc1ncccc1[O-])c1cnccc1-c1ccccc1 ZINC001196469620 811346371 /nfs/dbraw/zinc/34/63/71/811346371.db2.gz LNYALZIOIJPBQN-UHFFFAOYSA-N -1 3 291.310 3.102 20 0 CGADHM CC(=O)c1cccc([O-])c1NC(=O)c1cnccc1C1CC1 ZINC001197853027 811457163 /nfs/dbraw/zinc/45/71/63/811457163.db2.gz BNSYWYMWKIXTAO-UHFFFAOYSA-N -1 3 296.326 3.120 20 0 CGADHM C=CS(=O)(=O)[N-]c1cc(Cl)ccc1C(F)(F)F ZINC001198609332 811525202 /nfs/dbraw/zinc/52/52/02/811525202.db2.gz YJXMABWPWMVYNO-UHFFFAOYSA-N -1 3 285.674 3.244 20 0 CGADHM COc1cnc(C(=O)Nc2cc([O-])cc(Cl)c2)c(C)c1 ZINC001199756424 811595747 /nfs/dbraw/zinc/59/57/47/811595747.db2.gz PTHKYOBOVGLKJN-UHFFFAOYSA-N -1 3 292.722 3.010 20 0 CGADHM NC(=O)c1c(F)cc(Nc2ccc([O-])c(Cl)c2)cc1F ZINC001214918030 815460048 /nfs/dbraw/zinc/46/00/48/815460048.db2.gz GEODBLJIFJHXCO-UHFFFAOYSA-N -1 3 298.676 3.166 20 0 CGADHM Cc1cccc(NC(=O)Nc2ccc(F)c([O-])c2)c1 ZINC001202315981 812063125 /nfs/dbraw/zinc/06/31/25/812063125.db2.gz UFQQEOLGJUVVIS-UHFFFAOYSA-N -1 3 260.268 3.484 20 0 CGADHM O=C([N-]c1cc(C(F)(F)F)no1)Nc1ccc(F)cc1 ZINC001202341535 812066002 /nfs/dbraw/zinc/06/60/02/812066002.db2.gz DSYITKFIUVMLGU-UHFFFAOYSA-N -1 3 289.188 3.477 20 0 CGADHM CC(C)(C)NC(=O)Nc1ccc([O-])c(Br)c1 ZINC001202476574 812104023 /nfs/dbraw/zinc/10/40/23/812104023.db2.gz GSHUNQOTHMCALB-UHFFFAOYSA-N -1 3 287.157 3.075 20 0 CGADHM CC(=O)c1cccc(NC(=O)N[C@@H](C)c2ccccc2)c1[O-] ZINC001202507644 812111174 /nfs/dbraw/zinc/11/11/74/812111174.db2.gz YGVQTVMOBFZNIV-NSHDSACASA-N -1 3 298.342 3.478 20 0 CGADHM Cc1cccc(NC(=O)Nc2cc(=O)[n-]c(C3CC3)n2)c1C ZINC001202691831 812151870 /nfs/dbraw/zinc/15/18/70/812151870.db2.gz UQJVHWORHQOTRN-UHFFFAOYSA-N -1 3 298.346 3.320 20 0 CGADHM Cc1ncc(Nc2cccc(Cl)c2F)c(=O)[n-]1 ZINC001203033564 812221159 /nfs/dbraw/zinc/22/11/59/812221159.db2.gz FRTOTHJNQKYUIV-UHFFFAOYSA-N -1 3 253.664 3.027 20 0 CGADHM CNc1ccc(Nc2cccc(Cl)c2[O-])c(F)n1 ZINC001203357902 812321038 /nfs/dbraw/zinc/32/10/38/812321038.db2.gz CRABNULNGDPWAD-UHFFFAOYSA-N -1 3 267.691 3.365 20 0 CGADHM CSc1ccc(F)cc1Nc1cc(=O)[n-]c(C)n1 ZINC001215446250 815519798 /nfs/dbraw/zinc/51/97/98/815519798.db2.gz JNTJLAVTTDJQRY-UHFFFAOYSA-N -1 3 265.313 3.095 20 0 CGADHM Cc1ccc(Nc2cc(F)c([O-])cc2F)c(C)n1 ZINC001203376736 812332740 /nfs/dbraw/zinc/33/27/40/812332740.db2.gz QQSZQBGZGIYPQO-UHFFFAOYSA-N -1 3 250.248 3.426 20 0 CGADHM Cc1cnc(C)c(Nc2cc(=O)n(-c3ccccc3)[n-]2)c1 ZINC001203657629 812419355 /nfs/dbraw/zinc/41/93/55/812419355.db2.gz SJOYVYWOJNRWGS-UHFFFAOYSA-N -1 3 280.331 3.333 20 0 CGADHM Cc1c(Cl)ccc(Nc2ccc(C(N)=O)c([O-])c2)c1F ZINC001215528834 815529679 /nfs/dbraw/zinc/52/96/79/815529679.db2.gz SXNGNDUJELOHPG-UHFFFAOYSA-N -1 3 294.713 3.336 20 0 CGADHM Cc1ccc2c(c1)CCN(Cc1ccc(C(=O)[O-])cc1)C2 ZINC001204158762 812559083 /nfs/dbraw/zinc/55/90/83/812559083.db2.gz QFCPTOZWEWBGRM-UHFFFAOYSA-N -1 3 281.355 3.252 20 0 CGADHM CCOc1ccc(Nc2ncc(Cl)cc2[O-])c(C)n1 ZINC001215576666 815539921 /nfs/dbraw/zinc/53/99/21/815539921.db2.gz JEGULSJUKOTINL-UHFFFAOYSA-N -1 3 279.727 3.286 20 0 CGADHM COCc1ccc(Cl)c(Nc2cc(=O)[n-]c(=S)[nH]2)c1 ZINC001215595199 815543626 /nfs/dbraw/zinc/54/36/26/815543626.db2.gz CBSXASNNRKLZTR-UHFFFAOYSA-N -1 3 297.767 3.014 20 0 CGADHM COc1ccc2ncnc(-c3ccc([O-])cc3F)c2c1 ZINC001206021138 813167885 /nfs/dbraw/zinc/16/78/85/813167885.db2.gz FVTGHWAEZNPRLB-UHFFFAOYSA-N -1 3 270.263 3.150 20 0 CGADHM [O-]c1ccc(-c2cc(C(F)(F)F)cnn2)c(F)c1 ZINC001206030377 813173199 /nfs/dbraw/zinc/17/31/99/813173199.db2.gz VDNGGOJEACPODE-UHFFFAOYSA-N -1 3 258.174 3.007 20 0 CGADHM CSc1cc(Nc2ccc(C(N)=O)c([O-])c2)ccc1F ZINC001215797205 815596060 /nfs/dbraw/zinc/59/60/60/815596060.db2.gz SRHUWDLPYIADIM-UHFFFAOYSA-N -1 3 292.335 3.096 20 0 CGADHM Cc1cc2nc(C)nc(-c3ccc([O-])cc3F)c2[nH]1 ZINC001206037707 813176354 /nfs/dbraw/zinc/17/63/54/813176354.db2.gz LYSGBUCIKBCNHZ-UHFFFAOYSA-N -1 3 257.268 3.086 20 0 CGADHM Cc1nc(-c2ccccn2)cc(-c2ccc([O-])cc2F)n1 ZINC001206038368 813176849 /nfs/dbraw/zinc/17/68/49/813176849.db2.gz WNVSLHXUNZEJGW-UHFFFAOYSA-N -1 3 281.290 3.359 20 0 CGADHM [O-]c1ccc(-c2cncnc2C(F)(F)F)c(F)c1 ZINC001206057446 813184551 /nfs/dbraw/zinc/18/45/51/813184551.db2.gz CTKZVFCTGCCRDT-UHFFFAOYSA-N -1 3 258.174 3.007 20 0 CGADHM COc1ccc(-c2ccc([O-])cc2F)c(F)c1F ZINC001206057709 813184886 /nfs/dbraw/zinc/18/48/86/813184886.db2.gz KSSZAFSWRNSDSP-UHFFFAOYSA-N -1 3 254.207 3.485 20 0 CGADHM COc1cnc(F)cc1Nc1cccc([O-])c1Cl ZINC001215806819 815601141 /nfs/dbraw/zinc/60/11/41/815601141.db2.gz MXAJAHHITTXMSD-UHFFFAOYSA-N -1 3 268.675 3.332 20 0 CGADHM Cc1cc(N(C)C)ncc1Nc1c([O-])cc(F)cc1F ZINC001206737143 813413467 /nfs/dbraw/zinc/41/34/67/813413467.db2.gz PAHAWXVKFMHMSB-UHFFFAOYSA-N -1 3 279.290 3.183 20 0 CGADHM Fc1ccc(-c2nnn[n-]2)cc1-c1cnc2sccc2c1 ZINC001242680242 823098514 /nfs/dbraw/zinc/09/85/14/823098514.db2.gz OMVRXPISAJWVIH-UHFFFAOYSA-N -1 3 297.318 3.283 20 0 CGADHM Fc1ccc(-c2nn[n-]n2)cc1-c1cnc2sccc2c1 ZINC001242680242 823098516 /nfs/dbraw/zinc/09/85/16/823098516.db2.gz OMVRXPISAJWVIH-UHFFFAOYSA-N -1 3 297.318 3.283 20 0 CGADHM CC(C)Oc1ccc(Nc2cc(=O)[n-]c(=S)[nH]2)c(F)c1 ZINC001209832897 814156364 /nfs/dbraw/zinc/15/63/64/814156364.db2.gz PZEZFEUQVRVBAT-UHFFFAOYSA-N -1 3 295.339 3.141 20 0 CGADHM O=C1CCOc2c(Nc3ccc(F)cc3[O-])ccc(F)c21 ZINC001210020588 814249404 /nfs/dbraw/zinc/24/94/04/814249404.db2.gz JZYDVHMFUJCVFC-UHFFFAOYSA-N -1 3 291.253 3.379 20 0 CGADHM O=c1cc(NC2=CCC(F)(F)CC2)nc(C2CC2)[n-]1 ZINC001210029297 814252886 /nfs/dbraw/zinc/25/28/86/814252886.db2.gz NEDMCQFCSWANDW-UHFFFAOYSA-N -1 3 267.279 3.175 20 0 CGADHM Cc1c(F)cc(Nc2ncc(F)cc2[O-])cc1F ZINC001210107989 814292685 /nfs/dbraw/zinc/29/26/85/814292685.db2.gz WWHFMGABWRCVOD-UHFFFAOYSA-N -1 3 254.211 3.257 20 0 CGADHM CCOC(=O)c1nc(C)oc1Nc1cccc(Cl)c1[O-] ZINC001210220117 814348999 /nfs/dbraw/zinc/34/89/99/814348999.db2.gz MYRPTOGNEJZQNO-UHFFFAOYSA-N -1 3 296.710 3.262 20 0 CGADHM O=c1cc(Nc2cccnc2C(F)(F)F)nc(C2CC2)[n-]1 ZINC001210232786 814356646 /nfs/dbraw/zinc/35/66/46/814356646.db2.gz HOSMKVWSJXSVCF-UHFFFAOYSA-N -1 3 296.252 3.217 20 0 CGADHM CC(C)c1nnc([N-]c2ccc(-c3nccn3C)cc2)o1 ZINC001210429103 814453080 /nfs/dbraw/zinc/45/30/80/814453080.db2.gz DDWUMFHEDIXSHN-UHFFFAOYSA-N -1 3 283.335 3.337 20 0 CGADHM Cc1nc(Nc2cccc(F)c2Cl)cc(=O)[n-]1 ZINC001210540590 814515657 /nfs/dbraw/zinc/51/56/57/814515657.db2.gz OZXZYKQXZNGDIL-UHFFFAOYSA-N -1 3 253.664 3.027 20 0 CGADHM C[C@H](O)c1ccc(Nc2cc(=O)n(-c3ccccc3)[n-]2)cc1 ZINC001210646198 814569744 /nfs/dbraw/zinc/56/97/44/814569744.db2.gz YMCYUXLOYADIBI-LBPRGKRZSA-N -1 3 295.342 3.375 20 0 CGADHM Cc1ccc(CO)cc1Nc1ccc([O-])c(F)c1F ZINC001210679027 814582414 /nfs/dbraw/zinc/58/24/14/814582414.db2.gz BFDUGICAWWHYNM-UHFFFAOYSA-N -1 3 265.259 3.215 20 0 CGADHM [O-]c1cc(Cl)cnc1Nc1ccccc1-n1cccn1 ZINC001210729846 814599592 /nfs/dbraw/zinc/59/95/92/814599592.db2.gz XOKYGRFQRGHTQU-UHFFFAOYSA-N -1 3 286.722 3.370 20 0 CGADHM O=S1(=O)Cc2cc(-c3ccc4ccccc4n3)ccc2[N-]1 ZINC001242774067 823128928 /nfs/dbraw/zinc/12/89/28/823128928.db2.gz PKXBXMLDZJQCAK-UHFFFAOYSA-N -1 3 296.351 3.157 20 0 CGADHM Cc1csc(Nc2cccc([O-])c2Cl)c1C(N)=O ZINC001210851770 814650941 /nfs/dbraw/zinc/65/09/41/814650941.db2.gz JPSVWPOUACHQAP-UHFFFAOYSA-N -1 3 282.752 3.258 20 0 CGADHM Nc1ccc(N(c2cccc([O-])c2Cl)C2CC2)nc1 ZINC001210855186 814652449 /nfs/dbraw/zinc/65/24/49/814652449.db2.gz 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ZQOUUUSYZCBLOL-UHFFFAOYSA-N -1 3 256.639 3.462 20 0 CGADHM COC(=O)c1cc([N-]c2nnc(C(C)(C)C)o2)ccc1F ZINC001215850677 815613873 /nfs/dbraw/zinc/61/38/73/815613873.db2.gz KNHKPKSCOYJATK-UHFFFAOYSA-N -1 3 293.298 3.036 20 0 CGADHM Cc1cc(Cl)c(N)c([N-]c2nonc2C2CC2)c1 ZINC001216092978 815690554 /nfs/dbraw/zinc/69/05/54/815690554.db2.gz QLBJZJVZGFDBHH-UHFFFAOYSA-N -1 3 264.716 3.235 20 0 CGADHM Cc1cc(-c2nnn[n-]2)ccc1-c1cccc(OC2CC2)c1 ZINC001242807260 823140460 /nfs/dbraw/zinc/14/04/60/823140460.db2.gz QQHYYVWPCZRVLF-UHFFFAOYSA-N -1 3 292.342 3.383 20 0 CGADHM Cc1cc(-c2nn[n-]n2)ccc1-c1cccc(OC2CC2)c1 ZINC001242807260 823140461 /nfs/dbraw/zinc/14/04/61/823140461.db2.gz QQHYYVWPCZRVLF-UHFFFAOYSA-N -1 3 292.342 3.383 20 0 CGADHM COc1cnc(F)c(Nc2nc3c(cccc3[O-])s2)c1 ZINC001216404478 815814638 /nfs/dbraw/zinc/81/46/38/815814638.db2.gz LUQKBTGRARERAF-UHFFFAOYSA-N -1 3 291.307 3.288 20 0 CGADHM COc1cc([O-])ccc1-c1nc(-c2ccc(F)cc2)no1 ZINC001217085551 815908877 /nfs/dbraw/zinc/90/88/77/815908877.db2.gz 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/nfs/dbraw/zinc/22/84/53/823228453.db2.gz UMRHKBNBMZXQPZ-UHFFFAOYSA-N -1 3 289.331 3.236 20 0 CGADHM CCOC(=O)/C=C/c1ccc(-c2ccc(F)c([O-])c2)nc1 ZINC001243054775 823230198 /nfs/dbraw/zinc/23/01/98/823230198.db2.gz SDNQPBVPMYDNHP-XBXARRHUSA-N -1 3 287.290 3.170 20 0 CGADHM COC(=O)c1c[nH]c2c1cccc2-c1ccc(F)c([O-])c1 ZINC001243061563 823231879 /nfs/dbraw/zinc/23/18/79/823231879.db2.gz IHVDMBXZMWVGKK-UHFFFAOYSA-N -1 3 285.274 3.466 20 0 CGADHM CCOC(=O)c1ccc(-c2ccc(F)c([O-])c2)c(C)n1 ZINC001243064078 823233693 /nfs/dbraw/zinc/23/36/93/823233693.db2.gz ZRMJNSGYBMNNSK-UHFFFAOYSA-N -1 3 275.279 3.078 20 0 CGADHM COc1ccc([C@@H](C)Oc2ccc3c([O-])coc3c2)cc1 ZINC001225343211 817019691 /nfs/dbraw/zinc/01/96/91/817019691.db2.gz RYBSECWWZKWYDZ-LLVKDONJSA-N -1 3 284.311 3.410 20 0 CGADHM COc1ccc([C@H](C)Oc2ccc3c([O-])coc3c2)cc1 ZINC001225343212 817019991 /nfs/dbraw/zinc/01/99/91/817019991.db2.gz RYBSECWWZKWYDZ-NSHDSACASA-N -1 3 284.311 3.410 20 0 CGADHM C[C@@H](Oc1nc(=O)[n-]cc1C(F)(F)F)C1CCCC1 ZINC001225577620 817098337 /nfs/dbraw/zinc/09/83/37/817098337.db2.gz ZDOSEQKLVMXOFB-SSDOTTSWSA-N -1 3 276.258 3.159 20 0 CGADHM C[C@@H](Oc1[n-]c(=O)ncc1C(F)(F)F)c1cccs1 ZINC001225579983 817099326 /nfs/dbraw/zinc/09/93/26/817099326.db2.gz RFTXBRVJGYQYDD-ZCFIWIBFSA-N -1 3 290.266 3.403 20 0 CGADHM C[C@H](Oc1[n-]c(=O)ncc1C(F)(F)F)c1ccccc1 ZINC001225579325 817099386 /nfs/dbraw/zinc/09/93/86/817099386.db2.gz KZQYRYLNHRIWBN-QMMMGPOBSA-N -1 3 284.237 3.341 20 0 CGADHM CC1(C)[C@@H]2C[C@@H](Oc3nc(=O)[n-]cc3C(F)(F)F)C[C@@H]21 ZINC001225579951 817100087 /nfs/dbraw/zinc/10/00/87/817100087.db2.gz QPYCHGUJIDGFAA-WHUPJOBBSA-N -1 3 288.269 3.014 20 0 CGADHM C/C=C/[C@H](Oc1[n-]c(=O)ncc1C(C)=O)C1CCCCC1 ZINC001226238223 817307491 /nfs/dbraw/zinc/30/74/91/817307491.db2.gz QJTKJXPKODLQGN-RRFAQUSLSA-N -1 3 290.363 3.289 20 0 CGADHM CC(=O)c1ccc([O-])c(O[C@H](C)CC(C)C)c1O ZINC001226480035 817369755 /nfs/dbraw/zinc/36/97/55/817369755.db2.gz XOCLSZZMZHADBM-SECBINFHSA-N -1 3 252.310 3.114 20 0 CGADHM C[C@H](COC(C)(C)C)Oc1c([O-])ccc2ccc(=O)oc21 ZINC001226595852 817407974 /nfs/dbraw/zinc/40/79/74/817407974.db2.gz LPJMGZPQBYPSIT-SNVBAGLBSA-N -1 3 292.331 3.081 20 0 CGADHM C[C@@H](COC(C)(C)C)Oc1c([O-])ccc2ccc(=O)oc21 ZINC001226595851 817408044 /nfs/dbraw/zinc/40/80/44/817408044.db2.gz LPJMGZPQBYPSIT-JTQLQIEISA-N -1 3 292.331 3.081 20 0 CGADHM Cc1ccc2c(c1)[C@H](Oc1cc(C)nc(=S)[n-]1)CC2 ZINC001226800960 817469993 /nfs/dbraw/zinc/46/99/93/817469993.db2.gz KZUFOKZXKVREDO-CYBMUJFWSA-N -1 3 272.373 3.448 20 0 CGADHM Cc1cc(O[C@@H]2CCc3cc(F)ccc32)[n-]c(=S)n1 ZINC001226803296 817470033 /nfs/dbraw/zinc/47/00/33/817470033.db2.gz SOFDMYHRUDAGKV-GFCCVEGCSA-N -1 3 276.336 3.279 20 0 CGADHM Cc1cc(O[C@H](C)c2c(F)cccc2F)[n-]c(=S)n1 ZINC001226802322 817470066 /nfs/dbraw/zinc/47/00/66/817470066.db2.gz VUFMGROISIVXDD-MRVPVSSYSA-N -1 3 282.315 3.492 20 0 CGADHM Cc1ccc(Cl)cc1[C@H](C)Oc1cc(=O)[n-]cn1 ZINC001226944485 817512708 /nfs/dbraw/zinc/51/27/08/817512708.db2.gz GQHGPOBIUYHEPD-VIFPVBQESA-N -1 3 264.712 3.284 20 0 CGADHM CCc1cnc(=S)[n-]c1O[C@H]1CCCc2cccnc21 ZINC001227061691 817546535 /nfs/dbraw/zinc/54/65/35/817546535.db2.gz MKHPBBWKMWCUAU-LBPRGKRZSA-N -1 3 287.388 3.179 20 0 CGADHM Cc1cccc2c1CC[C@H]2Oc1[nH]c(=S)nc2nc[n-]c21 ZINC001227612950 817681217 /nfs/dbraw/zinc/68/12/17/817681217.db2.gz MYDATYIWQKFJBR-LLVKDONJSA-N -1 3 298.371 3.016 20 0 CGADHM C[C@@H]1CC[C@@H](C)[C@@H](Oc2nnc(-c3cccnc3)[n-]2)C1 ZINC001228694778 817975038 /nfs/dbraw/zinc/97/50/38/817975038.db2.gz FONKJNMNCQJXOU-WZRBSPASSA-N -1 3 272.352 3.070 20 0 CGADHM C[C@@H]1CC[C@@H](C)[C@@H](Oc2nc(-c3cccnc3)n[n-]2)C1 ZINC001228694778 817975044 /nfs/dbraw/zinc/97/50/44/817975044.db2.gz FONKJNMNCQJXOU-WZRBSPASSA-N -1 3 272.352 3.070 20 0 CGADHM C[C@@H]1CC[C@@H](C)[C@@H](Oc2n[n-]c(-c3cccnc3)n2)C1 ZINC001228694778 817975051 /nfs/dbraw/zinc/97/50/51/817975051.db2.gz FONKJNMNCQJXOU-WZRBSPASSA-N -1 3 272.352 3.070 20 0 CGADHM C[C@@H]1CC(Oc2nnc(-c3cccnc3)[n-]2)C[C@@H](C)C1 ZINC001228695614 817975515 /nfs/dbraw/zinc/97/55/15/817975515.db2.gz NPQUCJMZVIIVRY-QWRGUYRKSA-N -1 3 272.352 3.070 20 0 CGADHM C[C@@H]1CC(Oc2nc(-c3cccnc3)n[n-]2)C[C@@H](C)C1 ZINC001228695614 817975519 /nfs/dbraw/zinc/97/55/19/817975519.db2.gz NPQUCJMZVIIVRY-QWRGUYRKSA-N -1 3 272.352 3.070 20 0 CGADHM C[C@@H]1CC(Oc2n[n-]c(-c3cccnc3)n2)C[C@@H](C)C1 ZINC001228695614 817975523 /nfs/dbraw/zinc/97/55/23/817975523.db2.gz NPQUCJMZVIIVRY-QWRGUYRKSA-N -1 3 272.352 3.070 20 0 CGADHM C[C@@H]1CCC[C@H](Oc2cc3c(cc2[O-])CCC3=O)C1 ZINC001228852582 818022273 /nfs/dbraw/zinc/02/22/73/818022273.db2.gz AEUXFPIRPSOXDB-PWSUYJOCSA-N -1 3 260.333 3.479 20 0 CGADHM C[C@@H]1CCC[C@H](C)[C@H]1Oc1cccc(-c2nnn[n-]2)c1 ZINC001231117531 818034022 /nfs/dbraw/zinc/03/40/22/818034022.db2.gz CIZOODRSUDMNQJ-YABSGUDNSA-N -1 3 272.352 3.070 20 0 CGADHM C[C@@H]1CCC[C@H](C)[C@H]1Oc1cccc(-c2nn[n-]n2)c1 ZINC001231117531 818034024 /nfs/dbraw/zinc/03/40/24/818034024.db2.gz CIZOODRSUDMNQJ-YABSGUDNSA-N -1 3 272.352 3.070 20 0 CGADHM CCC[C@@H](Oc1cccc(-c2nnn[n-]2)c1)[C@H](C)CC ZINC001231117731 818034376 /nfs/dbraw/zinc/03/43/76/818034376.db2.gz FTSCRZOHRXPQGR-BXUZGUMPSA-N -1 3 274.368 3.460 20 0 CGADHM CCC[C@@H](Oc1cccc(-c2nn[n-]n2)c1)[C@H](C)CC ZINC001231117731 818034383 /nfs/dbraw/zinc/03/43/83/818034383.db2.gz FTSCRZOHRXPQGR-BXUZGUMPSA-N -1 3 274.368 3.460 20 0 CGADHM CC[C@H](C)CC[C@H](C)Oc1cccc(-c2nnn[n-]2)c1 ZINC001231118077 818034768 /nfs/dbraw/zinc/03/47/68/818034768.db2.gz JNLGYAUCKGEZNV-RYUDHWBXSA-N -1 3 274.368 3.460 20 0 CGADHM CC[C@H](C)CC[C@H](C)Oc1cccc(-c2nn[n-]n2)c1 ZINC001231118077 818034773 /nfs/dbraw/zinc/03/47/73/818034773.db2.gz JNLGYAUCKGEZNV-RYUDHWBXSA-N -1 3 274.368 3.460 20 0 CGADHM CCCC[C@H](CC)Oc1cccc(-c2nnn[n-]2)c1 ZINC001231117379 818034978 /nfs/dbraw/zinc/03/49/78/818034978.db2.gz ACQQACDDOZCJTH-LBPRGKRZSA-N -1 3 260.341 3.214 20 0 CGADHM CCCC[C@H](CC)Oc1cccc(-c2nn[n-]n2)c1 ZINC001231117379 818034983 /nfs/dbraw/zinc/03/49/83/818034983.db2.gz ACQQACDDOZCJTH-LBPRGKRZSA-N -1 3 260.341 3.214 20 0 CGADHM CN(Cc1ccc([O-])c(C(F)(F)F)c1)Cc1ccccn1 ZINC001231524024 818120853 /nfs/dbraw/zinc/12/08/53/818120853.db2.gz KJDZXKXQKWMVJI-UHFFFAOYSA-N -1 3 296.292 3.438 20 0 CGADHM CN(Cc1ccno1)Cc1ccc([O-])c(C(F)(F)F)c1 ZINC001231525964 818120981 /nfs/dbraw/zinc/12/09/81/818120981.db2.gz JYCUIJFKIPTJNU-UHFFFAOYSA-N -1 3 286.253 3.031 20 0 CGADHM CN(Cc1cccc(O)c1)Cc1ccc(Cl)c([O-])c1 ZINC001231733422 818161981 /nfs/dbraw/zinc/16/19/81/818161981.db2.gz SZWGVFMGLKHHMB-UHFFFAOYSA-N -1 3 277.751 3.383 20 0 CGADHM [O-]c1cc(CN2CC[C@@H]3CCCO[C@H]3C2)ccc1Cl ZINC001231730747 818162308 /nfs/dbraw/zinc/16/23/08/818162308.db2.gz FRSFCRHDZPWDJJ-WFASDCNBSA-N -1 3 281.783 3.047 20 0 CGADHM C[C@H]1CCCN(Cc2ccc(F)c([O-])c2F)CC1 ZINC001232931279 818475982 /nfs/dbraw/zinc/47/59/82/818475982.db2.gz LPYCKHIDKUUCDB-JTQLQIEISA-N -1 3 255.308 3.292 20 0 CGADHM [O-]c1c(F)ccc(CN2CCc3ccccc3CC2)c1F ZINC001232935744 818478086 /nfs/dbraw/zinc/47/80/86/818478086.db2.gz WQUPLLFJEOZALX-UHFFFAOYSA-N -1 3 289.325 3.271 20 0 CGADHM [O-]c1c(F)ccc(CN2CCC3(CCCOC3)CC2)c1F ZINC001232941103 818479115 /nfs/dbraw/zinc/47/91/15/818479115.db2.gz UXCMQQBROSACKF-UHFFFAOYSA-N -1 3 297.345 3.063 20 0 CGADHM Cc1ccccc1CN(C)Cc1cc(Cl)ncc1[O-] ZINC001233036730 818505227 /nfs/dbraw/zinc/50/52/27/818505227.db2.gz UIINVDUXQNDAJD-UHFFFAOYSA-N -1 3 276.767 3.381 20 0 CGADHM COc1cccc(CN(C)Cc2cc(Cl)ncc2[O-])c1 ZINC001233036732 818506319 /nfs/dbraw/zinc/50/63/19/818506319.db2.gz UJTQHYPBLSVIMZ-UHFFFAOYSA-N -1 3 292.766 3.081 20 0 CGADHM C[C@@H]1CCC[C@H](C)N1Cc1cc(Cl)ncc1[O-] ZINC001233033431 818506363 /nfs/dbraw/zinc/50/63/63/818506363.db2.gz NRUDNKFDRRGYFK-AOOOYVTPSA-N -1 3 254.761 3.204 20 0 CGADHM [O-]c1cccc(CN2CC[C@H](F)C(F)(F)CC2)c1F ZINC001233049326 818511431 /nfs/dbraw/zinc/51/14/31/818511431.db2.gz BXWCOMVXXCPPPA-NSHDSACASA-N -1 3 277.261 3.101 20 0 CGADHM [O-]c1cccc(CN2CCC[C@@H]2c2nccs2)c1F ZINC001233054842 818512502 /nfs/dbraw/zinc/51/25/02/818512502.db2.gz AJDKYFBUKKYKMR-LLVKDONJSA-N -1 3 278.352 3.325 20 0 CGADHM [O-]c1cccc(CN2CCc3cc(F)ccc3C2)c1F ZINC001233057829 818514426 /nfs/dbraw/zinc/51/44/26/818514426.db2.gz PXURHTOAPINOIZ-UHFFFAOYSA-N -1 3 275.298 3.229 20 0 CGADHM C[C@]1(F)CCCN(Cc2c(F)ccc([O-])c2F)CC1 ZINC001233393297 818608643 /nfs/dbraw/zinc/60/86/43/818608643.db2.gz NBXSEEOONQUSSF-AWEZNQCLSA-N -1 3 273.298 3.385 20 0 CGADHM C[C@@H]1CCN(Cc2c(F)ccc([O-])c2F)[C@@H](C)C1 ZINC001233395538 818608942 /nfs/dbraw/zinc/60/89/42/818608942.db2.gz ARPVGBZHESSJLQ-ZJUUUORDSA-N -1 3 255.308 3.291 20 0 CGADHM CN(Cc1c(F)ccc([O-])c1F)C[C@@H]1CC1(C)C ZINC001233396190 818610065 /nfs/dbraw/zinc/61/00/65/818610065.db2.gz ONFXCJAYQOMBFR-VIFPVBQESA-N -1 3 255.308 3.148 20 0 CGADHM COC(=O)[C@H]1CC[C@H](Oc2cc(Cl)c([O-])cc2C)CC1 ZINC001233591101 818651084 /nfs/dbraw/zinc/65/10/84/818651084.db2.gz DECUZCHPBRUZES-XYPYZODXSA-N -1 3 298.766 3.465 20 0 CGADHM CCOC(=O)[C@@H]1CC[C@@H](Oc2cc(Cl)c([O-])cc2C)C1 ZINC001233592319 818652500 /nfs/dbraw/zinc/65/25/00/818652500.db2.gz LHDKCENOHKIBMI-GHMZBOCLSA-N -1 3 298.766 3.465 20 0 CGADHM COC(C[C@H](C)Oc1cc(Cl)c([O-])cc1C)OC ZINC001233593428 818653450 /nfs/dbraw/zinc/65/34/50/818653450.db2.gz XMBQRNHGZOAYCP-VIFPVBQESA-N -1 3 274.744 3.130 20 0 CGADHM Cc1cc([O-])c(Cl)cc1O[C@H](C)c1ncccn1 ZINC001233593737 818654228 /nfs/dbraw/zinc/65/42/28/818654228.db2.gz ZCLKSJXUGCOBED-SECBINFHSA-N -1 3 264.712 3.284 20 0 CGADHM COc1ccc2c(c1)CC[C@H](Oc1cccc([O-])c1F)C2 ZINC001233870035 818721166 /nfs/dbraw/zinc/72/11/66/818721166.db2.gz RYAPNHSHKZAZEV-AWEZNQCLSA-N -1 3 288.318 3.476 20 0 CGADHM [O-]c1ccc(-c2cc3nc[nH]c3cc2F)c(F)c1F ZINC001243344007 823358490 /nfs/dbraw/zinc/35/84/90/823358490.db2.gz VTVZSQFYXISMTJ-UHFFFAOYSA-N -1 3 264.206 3.353 20 0 CGADHM CCCC/C=C/[C@@H](C)Oc1cccc([O-])c1C(N)=O ZINC001234148947 818792089 /nfs/dbraw/zinc/79/20/89/818792089.db2.gz KNAJTZXRRFPCLB-LXSSAFMLSA-N -1 3 263.337 3.005 20 0 CGADHM COC[C@@H](C)OC[C@H](C)Oc1c(Cl)ccc([O-])c1F ZINC001234262784 818819871 /nfs/dbraw/zinc/81/98/71/818819871.db2.gz HKQMMLUFHIAPBS-BDAKNGLRSA-N -1 3 292.734 3.004 20 0 CGADHM C[C@H]1CC[C@@H](COc2c([O-])cc(Cl)cc2F)O1 ZINC001234443613 818856434 /nfs/dbraw/zinc/85/64/34/818856434.db2.gz JLKFGWCTNAUNCE-CBAPKCEASA-N -1 3 260.692 3.131 20 0 CGADHM CCOC(=O)[C@H]1CCC[C@@H](Oc2nc3ccsc3[n-]2)C1 ZINC001234848281 818932333 /nfs/dbraw/zinc/93/23/33/818932333.db2.gz ORUYSZQSCDJRPY-VHSXEESVSA-N -1 3 294.376 3.125 20 0 CGADHM CCOC(=O)[C@H]1CCC[C@@H](Oc2nc3sccc3[n-]2)C1 ZINC001234848281 818932338 /nfs/dbraw/zinc/93/23/38/818932338.db2.gz ORUYSZQSCDJRPY-VHSXEESVSA-N -1 3 294.376 3.125 20 0 CGADHM FC(F)(F)C(Oc1nc2ccsc2[n-]1)C(F)(F)F ZINC001234851177 818933286 /nfs/dbraw/zinc/93/32/86/818933286.db2.gz GKODZPXFMMPPDG-UHFFFAOYSA-N -1 3 290.188 3.496 20 0 CGADHM [O-]c1cc(Cl)cc(-c2ncc(OC(F)F)cn2)c1 ZINC001235898157 819207852 /nfs/dbraw/zinc/20/78/52/819207852.db2.gz BHMJKWLOPHMCCT-UHFFFAOYSA-N -1 3 272.638 3.104 20 0 CGADHM COC(=O)c1ccc(-c2cc([O-])cc(Cl)c2)nc1F ZINC001235898132 819208073 /nfs/dbraw/zinc/20/80/73/819208073.db2.gz AVMNJBCIFHZDRW-UHFFFAOYSA-N -1 3 281.670 3.033 20 0 CGADHM CSc1cncc(-c2cc([O-])cc(Cl)c2)n1 ZINC001235898716 819208247 /nfs/dbraw/zinc/20/82/47/819208247.db2.gz BXDHOJKZTCWNSK-UHFFFAOYSA-N -1 3 252.726 3.225 20 0 CGADHM COc1nccc2c(-c3cc([O-])cc(Cl)c3)ncnc21 ZINC001235899544 819209712 /nfs/dbraw/zinc/20/97/12/819209712.db2.gz IFFUWKGMMXZLPF-UHFFFAOYSA-N -1 3 287.706 3.059 20 0 CGADHM Cc1c[nH]c2nc(-c3cc([O-])cc(Cl)c3)ncc12 ZINC001235901197 819210463 /nfs/dbraw/zinc/21/04/63/819210463.db2.gz SSEVMLBDBOFHFZ-UHFFFAOYSA-N -1 3 259.696 3.244 20 0 CGADHM Cc1nc2[nH]ccc2nc1-c1cc([O-])cc(Cl)c1 ZINC001235906522 819216108 /nfs/dbraw/zinc/21/61/08/819216108.db2.gz LKNSYWWKPXOQLJ-UHFFFAOYSA-N -1 3 259.696 3.292 20 0 CGADHM O=c1c(-c2cc([O-])cc(Cl)c2)cccn1-c1cccnc1 ZINC001235910171 819218206 /nfs/dbraw/zinc/21/82/06/819218206.db2.gz XGDRVXQSVCQIEX-UHFFFAOYSA-N -1 3 298.729 3.259 20 0 CGADHM O=C([O-])c1ccc(-c2cc(N3CCCCC3)ccn2)cc1 ZINC001236056050 819291432 /nfs/dbraw/zinc/29/14/32/819291432.db2.gz XPBMIZDZRSQOQT-UHFFFAOYSA-N -1 3 282.343 3.437 20 0 CGADHM Cc1ccc(F)c(-c2cncc3cc(CO)oc32)c1[O-] ZINC001236402760 819452013 /nfs/dbraw/zinc/45/20/13/819452013.db2.gz NKNZPOPLVHGKGR-UHFFFAOYSA-N -1 3 273.263 3.140 20 0 CGADHM [O-]c1cc(CN2CCOC[C@@H]2c2ccccc2)ccc1F ZINC001236702664 819576995 /nfs/dbraw/zinc/57/69/95/819576995.db2.gz KUAHELFPPHVAHN-MRXNPFEDSA-N -1 3 287.334 3.105 20 0 CGADHM O=c1[n-]c(Cl)c(CN2CCC[C@H]2c2ccccn2)s1 ZINC001237150343 819679509 /nfs/dbraw/zinc/67/95/09/819679509.db2.gz FRYWZMUREZNZTD-JTQLQIEISA-N -1 3 295.795 3.234 20 0 CGADHM CN1CCc2c(F)cc(-c3cc(F)cc(F)c3[O-])cc2C1 ZINC001243507286 823424532 /nfs/dbraw/zinc/42/45/32/823424532.db2.gz WCJIIPPGOQJJDA-UHFFFAOYSA-N -1 3 293.288 3.464 20 0 CGADHM [O-]c1cccc(-c2cccc(OC(F)F)n2)c1F ZINC001243543253 823436539 /nfs/dbraw/zinc/43/65/39/823436539.db2.gz STCCTWQZQUJXJU-UHFFFAOYSA-N -1 3 255.195 3.195 20 0 CGADHM [O-]c1cccc(-c2cnc(C(F)(F)F)nc2)c1F ZINC001243544932 823437354 /nfs/dbraw/zinc/43/73/54/823437354.db2.gz KSCJKRHZGCVZFH-UHFFFAOYSA-N -1 3 258.174 3.007 20 0 CGADHM [O-]c1cccc(-c2ccnc(C(F)(F)F)n2)c1F ZINC001243544740 823437580 /nfs/dbraw/zinc/43/75/80/823437580.db2.gz VXXNBRWHFATDMH-UHFFFAOYSA-N -1 3 258.174 3.007 20 0 CGADHM COC(=O)c1c(C)cccc1-c1cccc([O-])c1F ZINC001243545645 823438051 /nfs/dbraw/zinc/43/80/51/823438051.db2.gz AJARVSINCHWWSE-UHFFFAOYSA-N -1 3 260.264 3.293 20 0 CGADHM COC(=O)c1c(C)cc(-c2cccc([O-])c2F)cc1F ZINC001243546330 823438685 /nfs/dbraw/zinc/43/86/85/823438685.db2.gz ZTRAVKGORROSIH-UHFFFAOYSA-N -1 3 278.254 3.432 20 0 CGADHM CCOC(=O)c1cc(-c2cccc([O-])c2F)cnc1C ZINC001243547862 823439646 /nfs/dbraw/zinc/43/96/46/823439646.db2.gz ZBGKGNXVRKSEMB-UHFFFAOYSA-N -1 3 275.279 3.078 20 0 CGADHM C[C@@H]1CCN(Cc2c(Br)ccc([O-])c2F)C1 ZINC001238305046 819972954 /nfs/dbraw/zinc/97/29/54/819972954.db2.gz KGAOGRHXASFKNW-MRVPVSSYSA-N -1 3 288.160 3.136 20 0 CGADHM c1oc2ccccc2c1-c1ccccc1-c1nnn[n-]1 ZINC001239057257 820209027 /nfs/dbraw/zinc/20/90/27/820209027.db2.gz WCFDBQMTCCHLLY-UHFFFAOYSA-N -1 3 262.272 3.280 20 0 CGADHM c1oc2ccccc2c1-c1ccccc1-c1nn[n-]n1 ZINC001239057257 820209036 /nfs/dbraw/zinc/20/90/36/820209036.db2.gz WCFDBQMTCCHLLY-UHFFFAOYSA-N -1 3 262.272 3.280 20 0 CGADHM COC(=O)Cc1ccc(-c2ccc3c(c2)[N-]C(=S)C3)cc1 ZINC001243604096 823463978 /nfs/dbraw/zinc/46/39/78/823463978.db2.gz WDKYZLVGMCXFNU-UHFFFAOYSA-N -1 3 297.379 3.365 20 0 CGADHM Cc1cc(-c2ccc(C(F)(F)F)cc2[O-])c(=O)n(C)c1 ZINC001243611501 823467231 /nfs/dbraw/zinc/46/72/31/823467231.db2.gz JCFDKTRBYQZQGY-UHFFFAOYSA-N -1 3 283.249 3.085 20 0 CGADHM Cc1cc(C)cc(-c2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC001239526308 820376806 /nfs/dbraw/zinc/37/68/06/820376806.db2.gz RIJXKLDUNNGPGH-UHFFFAOYSA-N -1 3 268.295 3.290 20 0 CGADHM Cc1cc(C)cc(-c2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC001239526308 820376815 /nfs/dbraw/zinc/37/68/15/820376815.db2.gz RIJXKLDUNNGPGH-UHFFFAOYSA-N -1 3 268.295 3.290 20 0 CGADHM Cc1ccc(-c2cn(C)c3ccccc23)cc1-c1nnn[n-]1 ZINC001239541601 820396924 /nfs/dbraw/zinc/39/69/24/820396924.db2.gz KSXVNJJIFNUWTK-UHFFFAOYSA-N -1 3 289.342 3.334 20 0 CGADHM Cc1ccc(-c2cn(C)c3ccccc23)cc1-c1nn[n-]n1 ZINC001239541601 820396935 /nfs/dbraw/zinc/39/69/35/820396935.db2.gz KSXVNJJIFNUWTK-UHFFFAOYSA-N -1 3 289.342 3.334 20 0 CGADHM CCc1ccccc1-c1ccc(C)c(-c2nnn[n-]2)c1 ZINC001239745503 820566836 /nfs/dbraw/zinc/56/68/36/820566836.db2.gz QMPYSJMBVVYCRZ-UHFFFAOYSA-N -1 3 264.332 3.405 20 0 CGADHM CCc1ccccc1-c1ccc(C)c(-c2nn[n-]n2)c1 ZINC001239745503 820566844 /nfs/dbraw/zinc/56/68/44/820566844.db2.gz QMPYSJMBVVYCRZ-UHFFFAOYSA-N -1 3 264.332 3.405 20 0 CGADHM Cc1ccc(-c2ccc(-c3nnn[n-]3)cc2)c(C)c1 ZINC001239812027 820627160 /nfs/dbraw/zinc/62/71/60/820627160.db2.gz KSXWPSIFWWOUTE-UHFFFAOYSA-N -1 3 250.305 3.151 20 0 CGADHM Cc1ccc(-c2ccc(-c3nn[n-]n3)cc2)c(C)c1 ZINC001239812027 820627165 /nfs/dbraw/zinc/62/71/65/820627165.db2.gz KSXWPSIFWWOUTE-UHFFFAOYSA-N -1 3 250.305 3.151 20 0 CGADHM CC(C)Oc1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC001239959366 820739319 /nfs/dbraw/zinc/73/93/19/820739319.db2.gz HSQAIYJRUDHHIP-UHFFFAOYSA-N -1 3 280.331 3.321 20 0 CGADHM CC(C)Oc1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC001239959366 820739322 /nfs/dbraw/zinc/73/93/22/820739322.db2.gz HSQAIYJRUDHHIP-UHFFFAOYSA-N -1 3 280.331 3.321 20 0 CGADHM Fc1cc(-c2nnn[n-]2)cc(-c2ccc3occc3c2)c1 ZINC001240425055 821045299 /nfs/dbraw/zinc/04/52/99/821045299.db2.gz IVLCEVWDTDUYCB-UHFFFAOYSA-N -1 3 280.262 3.419 20 0 CGADHM Fc1cc(-c2nn[n-]n2)cc(-c2ccc3occc3c2)c1 ZINC001240425055 821045309 /nfs/dbraw/zinc/04/53/09/821045309.db2.gz IVLCEVWDTDUYCB-UHFFFAOYSA-N -1 3 280.262 3.419 20 0 CGADHM Cc1cc2cc(-c3ccc(-c4nnn[n-]4)cc3C)cnc2[nH]1 ZINC001240497026 821094451 /nfs/dbraw/zinc/09/44/51/821094451.db2.gz RVWZPGGENAULPW-UHFFFAOYSA-N -1 3 290.330 3.027 20 0 CGADHM Cc1cc2cc(-c3ccc(-c4nn[n-]n4)cc3C)cnc2[nH]1 ZINC001240497026 821094460 /nfs/dbraw/zinc/09/44/60/821094460.db2.gz RVWZPGGENAULPW-UHFFFAOYSA-N -1 3 290.330 3.027 20 0 CGADHM FC(F)c1cccc(-c2ccccc2-c2nnn[n-]2)c1 ZINC001240690322 821246592 /nfs/dbraw/zinc/24/65/92/821246592.db2.gz NRJKFRIPEACYAC-UHFFFAOYSA-N -1 3 272.258 3.471 20 0 CGADHM FC(F)c1cccc(-c2ccccc2-c2nn[n-]n2)c1 ZINC001240690322 821246600 /nfs/dbraw/zinc/24/66/00/821246600.db2.gz NRJKFRIPEACYAC-UHFFFAOYSA-N -1 3 272.258 3.471 20 0 CGADHM [O-]c1ccc(-c2ccc3ncc(F)cc3n2)cc1F ZINC001240783065 821323279 /nfs/dbraw/zinc/32/32/79/821323279.db2.gz OPDUAXOAFPNGQA-UHFFFAOYSA-N -1 3 258.227 3.281 20 0 CGADHM CC(=O)N1CCc2cc(-c3ccc([O-])c(F)c3)ccc21 ZINC001240785766 821325088 /nfs/dbraw/zinc/32/50/88/821325088.db2.gz NGVYEGXFTQNOEF-UHFFFAOYSA-N -1 3 271.291 3.107 20 0 CGADHM [O-]c1ccc(-c2ccc(N3CCCC3)nc2)cc1F ZINC001240785740 821325806 /nfs/dbraw/zinc/32/58/06/821325806.db2.gz MOYNTHHJAZYCPO-UHFFFAOYSA-N -1 3 258.296 3.194 20 0 CGADHM COC(=O)c1cc2ncoc2c(-c2ccc([O-])c(F)c2)c1 ZINC001240786286 821327222 /nfs/dbraw/zinc/32/72/22/821327222.db2.gz DYOCLGWMINMTRT-UHFFFAOYSA-N -1 3 287.246 3.126 20 0 CGADHM COC(=O)CCc1ccccc1-c1ccc([O-])c(F)c1 ZINC001240787195 821329222 /nfs/dbraw/zinc/32/92/22/821329222.db2.gz QEEXNXNSEDHYAL-UHFFFAOYSA-N -1 3 274.291 3.304 20 0 CGADHM CSc1ncc(-c2ccc([O-])c(F)c2)c(C)n1 ZINC001240788411 821331032 /nfs/dbraw/zinc/33/10/32/821331032.db2.gz FURGVJGAQLNPSV-UHFFFAOYSA-N -1 3 250.298 3.019 20 0 CGADHM CC(C)Cn1cc(-c2ccc([O-])c(F)c2)ccc1=O ZINC001240790598 821333728 /nfs/dbraw/zinc/33/37/28/821333728.db2.gz PYIYJIZYZZGIPJ-UHFFFAOYSA-N -1 3 261.296 3.016 20 0 CGADHM CSc1nc(-c2ccccc2[O-])cc(N2CCCC2)n1 ZINC001241007492 821484523 /nfs/dbraw/zinc/48/45/23/821484523.db2.gz DKYNSHIXIPLHBF-UHFFFAOYSA-N -1 3 287.388 3.171 20 0 CGADHM Cc1ccc(-c2ncnc3cccc(F)c32)c([O-])c1 ZINC001241030089 821505323 /nfs/dbraw/zinc/50/53/23/821505323.db2.gz CXQQFWQFWSFMDJ-UHFFFAOYSA-N -1 3 254.264 3.450 20 0 CGADHM CCOC(=O)c1cc(C)cnc1-c1ccc(C)cc1[O-] ZINC001241030558 821505820 /nfs/dbraw/zinc/50/58/20/821505820.db2.gz LXIPYHQCXQWAQW-UHFFFAOYSA-N -1 3 271.316 3.248 20 0 CGADHM CCOc1cc(-c2ccc(C)c(-c3nnn[n-]3)c2)ccc1F ZINC001241070242 821539636 /nfs/dbraw/zinc/53/96/36/821539636.db2.gz ANXHZPQPMMANIM-UHFFFAOYSA-N -1 3 298.321 3.380 20 0 CGADHM CCOc1cc(-c2ccc(C)c(-c3nn[n-]n3)c2)ccc1F ZINC001241070242 821539640 /nfs/dbraw/zinc/53/96/40/821539640.db2.gz ANXHZPQPMMANIM-UHFFFAOYSA-N -1 3 298.321 3.380 20 0 CGADHM CCOc1cccc(-c2cc(F)cc(-c3nnn[n-]3)c2)c1 ZINC001241117904 821572994 /nfs/dbraw/zinc/57/29/94/821572994.db2.gz WXDVMGAYCRJPQB-UHFFFAOYSA-N -1 3 284.294 3.072 20 0 CGADHM CCOc1cccc(-c2cc(F)cc(-c3nn[n-]n3)c2)c1 ZINC001241117904 821572998 /nfs/dbraw/zinc/57/29/98/821572998.db2.gz WXDVMGAYCRJPQB-UHFFFAOYSA-N -1 3 284.294 3.072 20 0 CGADHM COc1cc(C)c(-c2ccc(C)c(-c3nnn[n-]3)c2)cc1C ZINC001241138413 821593266 /nfs/dbraw/zinc/59/32/66/821593266.db2.gz NSXPZIBJFKFWKS-UHFFFAOYSA-N -1 3 294.358 3.468 20 0 CGADHM COc1cc(C)c(-c2ccc(C)c(-c3nn[n-]n3)c2)cc1C ZINC001241138413 821593270 /nfs/dbraw/zinc/59/32/70/821593270.db2.gz NSXPZIBJFKFWKS-UHFFFAOYSA-N -1 3 294.358 3.468 20 0 CGADHM CC(C)Oc1cc(F)cc(-c2cccc(-c3nnn[n-]3)c2)c1 ZINC001241166817 821611032 /nfs/dbraw/zinc/61/10/32/821611032.db2.gz AZJBITDDCYSUEV-UHFFFAOYSA-N -1 3 298.321 3.460 20 0 CGADHM CC(C)Oc1cc(F)cc(-c2cccc(-c3nn[n-]n3)c2)c1 ZINC001241166817 821611034 /nfs/dbraw/zinc/61/10/34/821611034.db2.gz AZJBITDDCYSUEV-UHFFFAOYSA-N -1 3 298.321 3.460 20 0 CGADHM Cc1ccc(C)c(-c2cccc(-c3nnn[n-]3)c2)c1 ZINC001241192113 821628050 /nfs/dbraw/zinc/62/80/50/821628050.db2.gz ARIXXNWWPVKNBB-UHFFFAOYSA-N -1 3 250.305 3.151 20 0 CGADHM Cc1ccc(C)c(-c2cccc(-c3nn[n-]n3)c2)c1 ZINC001241192113 821628056 /nfs/dbraw/zinc/62/80/56/821628056.db2.gz ARIXXNWWPVKNBB-UHFFFAOYSA-N -1 3 250.305 3.151 20 0 CGADHM CCOc1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1C ZINC001241197484 821631255 /nfs/dbraw/zinc/63/12/55/821631255.db2.gz BJCSFHOGIXINAZ-UHFFFAOYSA-N -1 3 280.331 3.241 20 0 CGADHM CCOc1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1C ZINC001241197484 821631262 /nfs/dbraw/zinc/63/12/62/821631262.db2.gz BJCSFHOGIXINAZ-UHFFFAOYSA-N -1 3 280.331 3.241 20 0 CGADHM CC(=O)c1ccccc1-c1ccc(C)c(-c2nnn[n-]2)c1 ZINC001241207868 821640407 /nfs/dbraw/zinc/64/04/07/821640407.db2.gz FIMPXTQDNOVMNF-UHFFFAOYSA-N -1 3 278.315 3.045 20 0 CGADHM CC(=O)c1ccccc1-c1ccc(C)c(-c2nn[n-]n2)c1 ZINC001241207868 821640410 /nfs/dbraw/zinc/64/04/10/821640410.db2.gz FIMPXTQDNOVMNF-UHFFFAOYSA-N -1 3 278.315 3.045 20 0 CGADHM [O-]c1cc(F)cc(-c2ncnc3[nH]c4c(c32)CCCC4)c1 ZINC001241256431 821677281 /nfs/dbraw/zinc/67/72/81/821677281.db2.gz VQYJYYWTTUBJKG-UHFFFAOYSA-N -1 3 283.306 3.348 20 0 CGADHM Cc1cc2ccncc2nc1-c1cc([O-])cc(F)c1 ZINC001241261865 821680852 /nfs/dbraw/zinc/68/08/52/821680852.db2.gz SOHZFNRMYDCSOE-UHFFFAOYSA-N -1 3 254.264 3.450 20 0 CGADHM [O-]c1cc(F)cc(-c2ccnc(N3CCCC3)c2)c1 ZINC001241266091 821685776 /nfs/dbraw/zinc/68/57/76/821685776.db2.gz DCEACSTVACIWIE-UHFFFAOYSA-N -1 3 258.296 3.194 20 0 CGADHM COc1cc(C)c2ncnc(-c3cc([O-])cc(F)c3)c2c1 ZINC001241266908 821686815 /nfs/dbraw/zinc/68/68/15/821686815.db2.gz OGECZKQYXPQAGY-UHFFFAOYSA-N -1 3 284.290 3.459 20 0 CGADHM COc1cc(OC)c(-c2cc([O-])cc(F)c2)c(OC)c1 ZINC001241270801 821688856 /nfs/dbraw/zinc/68/88/56/821688856.db2.gz AJLZDJGMQLODHY-UHFFFAOYSA-N -1 3 278.279 3.224 20 0 CGADHM O=C1CSCN1c1ccc(-c2cc([O-])cc(F)c2)cc1 ZINC001241271777 821690067 /nfs/dbraw/zinc/69/00/67/821690067.db2.gz SOTUUEYXWQEAKR-UHFFFAOYSA-N -1 3 289.331 3.236 20 0 CGADHM [O-]c1cc(F)cc(-c2ccccc2CN2CCOCC2)c1 ZINC001241270890 821690437 /nfs/dbraw/zinc/69/04/37/821690437.db2.gz FVYFHYYXXMXBJT-UHFFFAOYSA-N -1 3 287.334 3.031 20 0 CGADHM COCCOc1ccc(-c2cc([O-])cc(F)c2)cc1 ZINC001241272783 821690906 /nfs/dbraw/zinc/69/09/06/821690906.db2.gz YZZLHRWNPMXJDZ-UHFFFAOYSA-N -1 3 262.280 3.224 20 0 CGADHM COc1c(F)ccc(-c2cc([O-])cc(F)c2)c1F ZINC001241277634 821696588 /nfs/dbraw/zinc/69/65/88/821696588.db2.gz NEVMNLQHNQCOSR-UHFFFAOYSA-N -1 3 254.207 3.485 20 0 CGADHM [O-]c1ccc(F)c(-c2cc(-c3ncc[nH]3)ccn2)c1F ZINC001241289011 821706036 /nfs/dbraw/zinc/70/60/36/821706036.db2.gz GFULIBZENAWQNE-UHFFFAOYSA-N -1 3 273.242 3.123 20 0 CGADHM [O-]c1ccc(F)c(-c2cccc3nsnc32)c1F ZINC001241293036 821710593 /nfs/dbraw/zinc/71/05/93/821710593.db2.gz OWFFXHQDNPCTDZ-UHFFFAOYSA-N -1 3 264.256 3.342 20 0 CGADHM COC(=O)c1ccc(-c2c(F)ccc([O-])c2F)c(OC)c1 ZINC001241292996 821710875 /nfs/dbraw/zinc/71/08/75/821710875.db2.gz MEMWHCJOUPLXRK-UHFFFAOYSA-N -1 3 294.253 3.133 20 0 CGADHM [O-]c1ccc(F)c(-c2cncnc2C(F)(F)F)c1F ZINC001241292785 821710976 /nfs/dbraw/zinc/71/09/76/821710976.db2.gz HBKOJHPWNXCCKT-UHFFFAOYSA-N -1 3 276.164 3.146 20 0 CGADHM C[C@H]1C(=O)Nc2ccc(-c3c(F)ccc([O-])c3F)cc21 ZINC001241293382 821711081 /nfs/dbraw/zinc/71/10/81/821711081.db2.gz UXUJNIITQWOENR-SSDOTTSWSA-N -1 3 275.254 3.393 20 0 CGADHM [O-]c1ccc(F)c(-c2cccc3cncnc32)c1F ZINC001241293325 821711141 /nfs/dbraw/zinc/71/11/41/821711141.db2.gz SQVXGBJBNZDFMA-UHFFFAOYSA-N -1 3 258.227 3.281 20 0 CGADHM COC(=O)c1ccc(-c2c(F)ccc([O-])c2F)cc1 ZINC001241293457 821711241 /nfs/dbraw/zinc/71/12/41/821711241.db2.gz YBLFRSIDOCIRGQ-UHFFFAOYSA-N -1 3 264.227 3.124 20 0 CGADHM [O-]c1ccc(F)c(-c2cc(F)cc3nccnc32)c1F ZINC001241293276 821711295 /nfs/dbraw/zinc/71/12/95/821711295.db2.gz FVEITMLHNXSZBZ-UHFFFAOYSA-N -1 3 276.217 3.420 20 0 CGADHM Cc1ccc(S(C)(=O)=O)cc1-c1c(F)ccc([O-])c1F ZINC001241293070 821711616 /nfs/dbraw/zinc/71/16/16/821711616.db2.gz QIIJCYGPRSIQLL-UHFFFAOYSA-N -1 3 298.310 3.049 20 0 CGADHM O=c1c(-c2c(F)ccc([O-])c2F)cccn1-c1ccccc1 ZINC001241294368 821712206 /nfs/dbraw/zinc/71/22/06/821712206.db2.gz SJZLSKQFUUHMER-UHFFFAOYSA-N -1 3 299.276 3.488 20 0 CGADHM COc1cccc(OC)c1-c1c(F)ccc([O-])c1F ZINC001241294094 821712298 /nfs/dbraw/zinc/71/22/98/821712298.db2.gz UTFJPOBYMOSKGH-UHFFFAOYSA-N -1 3 266.243 3.355 20 0 CGADHM COCOc1ccc(-c2c(F)ccc([O-])c2F)cc1 ZINC001241293956 821712363 /nfs/dbraw/zinc/71/23/63/821712363.db2.gz SJQKOISEPSYLNR-UHFFFAOYSA-N -1 3 266.243 3.320 20 0 CGADHM CC(C)Cn1cccc(-c2c(F)ccc([O-])c2F)c1=O ZINC001241294307 821712827 /nfs/dbraw/zinc/71/28/27/821712827.db2.gz PILGPXFBJFVOMH-UHFFFAOYSA-N -1 3 279.286 3.155 20 0 CGADHM COc1cc(-c2c(F)ccc([O-])c2F)c2cc[nH]c2n1 ZINC001241295151 821713043 /nfs/dbraw/zinc/71/30/43/821713043.db2.gz GEOSOGZXTKDDRX-UHFFFAOYSA-N -1 3 276.242 3.222 20 0 CGADHM Cc1cnc2[nH]ccc2c1-c1c(F)ccc([O-])c1F ZINC001241295630 821714177 /nfs/dbraw/zinc/71/41/77/821714177.db2.gz XEWGVLBOVIZVOV-UHFFFAOYSA-N -1 3 260.243 3.474 20 0 CGADHM Fc1ccc(Cl)cc1-c1ccccc1-c1nnn[n-]1 ZINC001241330983 821738574 /nfs/dbraw/zinc/73/85/74/821738574.db2.gz MAZFHKXUBVTGIJ-UHFFFAOYSA-N -1 3 274.686 3.326 20 0 CGADHM Fc1ccc(Cl)cc1-c1ccccc1-c1nn[n-]n1 ZINC001241330983 821738582 /nfs/dbraw/zinc/73/85/82/821738582.db2.gz MAZFHKXUBVTGIJ-UHFFFAOYSA-N -1 3 274.686 3.326 20 0 CGADHM CCc1cncc(-c2cc(C(F)(F)F)[n-]c(=S)n2)c1 ZINC001241365845 821767238 /nfs/dbraw/zinc/76/72/38/821767238.db2.gz SDMAGXACDCJYQB-UHFFFAOYSA-N -1 3 285.294 3.409 20 0 CGADHM Fc1ccc(-c2ccc(-c3nnn[n-]3)cc2)c2[nH]ccc21 ZINC001241444022 821838165 /nfs/dbraw/zinc/83/81/65/821838165.db2.gz MYLSQSQVHXGSPA-UHFFFAOYSA-N -1 3 279.278 3.154 20 0 CGADHM Fc1ccc(-c2ccc(-c3nn[n-]n3)cc2)c2[nH]ccc21 ZINC001241444022 821838170 /nfs/dbraw/zinc/83/81/70/821838170.db2.gz MYLSQSQVHXGSPA-UHFFFAOYSA-N -1 3 279.278 3.154 20 0 CGADHM Cc1c(F)c(F)ccc1-c1ccc(-c2nnn[n-]2)cc1 ZINC001241445438 821840048 /nfs/dbraw/zinc/84/00/48/821840048.db2.gz NOVQCYRPJOOUPS-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM Cc1c(F)c(F)ccc1-c1ccc(-c2nn[n-]n2)cc1 ZINC001241445438 821840055 /nfs/dbraw/zinc/84/00/55/821840055.db2.gz NOVQCYRPJOOUPS-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM c1nc2cccc(-c3ccc(-c4nnn[n-]4)cc3)c2s1 ZINC001241444996 821840656 /nfs/dbraw/zinc/84/06/56/821840656.db2.gz HMLRSWUJQHPLFT-UHFFFAOYSA-N -1 3 279.328 3.143 20 0 CGADHM c1nc2cccc(-c3ccc(-c4nn[n-]n4)cc3)c2s1 ZINC001241444996 821840662 /nfs/dbraw/zinc/84/06/62/821840662.db2.gz HMLRSWUJQHPLFT-UHFFFAOYSA-N -1 3 279.328 3.143 20 0 CGADHM c1cc(-c2ccc(-c3nnn[n-]3)cc2)cc2c1CCC2 ZINC001241444905 821840828 /nfs/dbraw/zinc/84/08/28/821840828.db2.gz YXIJPFZSHKHNQL-UHFFFAOYSA-N -1 3 262.316 3.022 20 0 CGADHM c1cc(-c2ccc(-c3nn[n-]n3)cc2)cc2c1CCC2 ZINC001241444905 821840837 /nfs/dbraw/zinc/84/08/37/821840837.db2.gz YXIJPFZSHKHNQL-UHFFFAOYSA-N -1 3 262.316 3.022 20 0 CGADHM Cc1cc2[nH]ccc2cc1-c1ccc(-c2nnn[n-]2)cc1 ZINC001241445721 821842008 /nfs/dbraw/zinc/84/20/08/821842008.db2.gz VMWVSKHNTVAZBY-UHFFFAOYSA-N -1 3 275.315 3.323 20 0 CGADHM Cc1cc2[nH]ccc2cc1-c1ccc(-c2nn[n-]n2)cc1 ZINC001241445721 821842014 /nfs/dbraw/zinc/84/20/14/821842014.db2.gz VMWVSKHNTVAZBY-UHFFFAOYSA-N -1 3 275.315 3.323 20 0 CGADHM CSc1c(F)cccc1-c1ccc(-c2nnn[n-]2)cc1 ZINC001241446667 821843108 /nfs/dbraw/zinc/84/31/08/821843108.db2.gz METGGPXXTMVAPJ-UHFFFAOYSA-N -1 3 286.335 3.395 20 0 CGADHM CSc1c(F)cccc1-c1ccc(-c2nn[n-]n2)cc1 ZINC001241446667 821843117 /nfs/dbraw/zinc/84/31/17/821843117.db2.gz METGGPXXTMVAPJ-UHFFFAOYSA-N -1 3 286.335 3.395 20 0 CGADHM Cc1c(F)ccc(F)c1-c1ccc(-c2nnn[n-]2)cc1 ZINC001241446502 821843534 /nfs/dbraw/zinc/84/35/34/821843534.db2.gz ZXOMUIILWATUII-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM Cc1c(F)ccc(F)c1-c1ccc(-c2nn[n-]n2)cc1 ZINC001241446502 821843540 /nfs/dbraw/zinc/84/35/40/821843540.db2.gz ZXOMUIILWATUII-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM COc1c(F)ccc(-c2ccc(=S)[n-]n2)c1Cl ZINC001241505892 821907519 /nfs/dbraw/zinc/90/75/19/821907519.db2.gz ZEVQEIKYSMBWFO-UHFFFAOYSA-N -1 3 270.716 3.233 20 0 CGADHM Cc1ccc(-c2c3c[nH]nc3ccc2C)cc1-c1nn[n-]n1 ZINC001241524157 821924415 /nfs/dbraw/zinc/92/44/15/821924415.db2.gz LGTQSUKCXOOVGJ-UHFFFAOYSA-N -1 3 290.330 3.027 20 0 CGADHM c1nc2cc(-c3cccc(-c4nnn[n-]4)c3)ccc2s1 ZINC001241869396 822188010 /nfs/dbraw/zinc/18/80/10/822188010.db2.gz HNQSKHIQBPXRAT-UHFFFAOYSA-N -1 3 279.328 3.143 20 0 CGADHM c1nc2cc(-c3cccc(-c4nn[n-]n4)c3)ccc2s1 ZINC001241869396 822188012 /nfs/dbraw/zinc/18/80/12/822188012.db2.gz HNQSKHIQBPXRAT-UHFFFAOYSA-N -1 3 279.328 3.143 20 0 CGADHM Fc1cc(C=CCc2ccccc2)ccc1-c1nn[n-]n1 ZINC001242143254 822892106 /nfs/dbraw/zinc/89/21/06/822892106.db2.gz VPLIQTVBCZSCHN-XBXARRHUSA-N -1 3 280.306 3.262 20 0 CGADHM Fc1cc(/C=C/Cc2ccccc2)ccc1-c1nn[n-]n1 ZINC001242143254 822892112 /nfs/dbraw/zinc/89/21/12/822892112.db2.gz VPLIQTVBCZSCHN-XBXARRHUSA-N -1 3 280.306 3.262 20 0 CGADHM Cn1cnc2cc(-c3ccc([O-])c(C(F)(F)F)c3)cnc21 ZINC001242158428 822899067 /nfs/dbraw/zinc/89/90/67/822899067.db2.gz YEXAAYQELNQCBB-UHFFFAOYSA-N -1 3 293.248 3.360 20 0 CGADHM [O-]c1ccc(-c2ccnc3c2CCN3)cc1C(F)(F)F ZINC001242167727 822900699 /nfs/dbraw/zinc/90/06/99/822900699.db2.gz CFTOETQXQXJEDU-UHFFFAOYSA-N -1 3 280.249 3.441 20 0 CGADHM O=c1ccc(-c2ccc(F)cc2[O-])cn1C1CCC1 ZINC001242219985 822916290 /nfs/dbraw/zinc/91/62/90/822916290.db2.gz YMBVOXLPWWQPFI-UHFFFAOYSA-N -1 3 259.280 3.085 20 0 CGADHM CCOc1ncc(-c2ccc(F)cc2[O-])cc1OC ZINC001242222544 822917162 /nfs/dbraw/zinc/91/71/62/822917162.db2.gz XVCOYMUHJAHLCE-UHFFFAOYSA-N -1 3 263.268 3.001 20 0 CGADHM Cc1ccc(-c2ccc3cnccc3c2)cc1-c1nnn[n-]1 ZINC001242245980 822925543 /nfs/dbraw/zinc/92/55/43/822925543.db2.gz UIAOJZQMIIDJHK-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM Cc1ccc(-c2ccc3cnccc3c2)cc1-c1nn[n-]n1 ZINC001242245980 822925546 /nfs/dbraw/zinc/92/55/46/822925546.db2.gz UIAOJZQMIIDJHK-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM Fc1cc(-c2ccc3cnccc3c2)ccc1-c1nnn[n-]1 ZINC001242247857 822926570 /nfs/dbraw/zinc/92/65/70/822926570.db2.gz XCIVADUSHNWUDU-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Fc1cc(-c2ccc3cnccc3c2)ccc1-c1nn[n-]n1 ZINC001242247857 822926572 /nfs/dbraw/zinc/92/65/72/822926572.db2.gz XCIVADUSHNWUDU-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM c1cnc2cc(-c3cccc(-c4nnn[n-]4)c3)ccc2c1 ZINC001242252147 822927989 /nfs/dbraw/zinc/92/79/89/822927989.db2.gz WYZJSLQEHJEUTL-UHFFFAOYSA-N -1 3 273.299 3.082 20 0 CGADHM c1cnc2cc(-c3cccc(-c4nn[n-]n4)c3)ccc2c1 ZINC001242252147 822927990 /nfs/dbraw/zinc/92/79/90/822927990.db2.gz WYZJSLQEHJEUTL-UHFFFAOYSA-N -1 3 273.299 3.082 20 0 CGADHM O=C1Nc2ccc(-c3cccc(F)c3[O-])cc2C12CC2 ZINC001242351208 822961117 /nfs/dbraw/zinc/96/11/17/822961117.db2.gz QYKMMLMJELYPGD-UHFFFAOYSA-N -1 3 269.275 3.182 20 0 CGADHM COC(=O)c1cc2cc(-c3cccc(F)c3[O-])ccc2[nH]1 ZINC001242350503 822961159 /nfs/dbraw/zinc/96/11/59/822961159.db2.gz GAUMRIUHSVYMHU-UHFFFAOYSA-N -1 3 285.274 3.466 20 0 CGADHM [O-]c1c(F)cccc1-c1ccc(F)c(C2OCCO2)c1 ZINC001242350869 822961497 /nfs/dbraw/zinc/96/14/97/822961497.db2.gz OAYLQEXOFYGZAG-UHFFFAOYSA-N -1 3 278.254 3.383 20 0 CGADHM O=C1Nc2c(cccc2-c2cccc(F)c2[O-])C12CC2 ZINC001242351543 822961964 /nfs/dbraw/zinc/96/19/64/822961964.db2.gz ZDLJGJTZXFJDFT-UHFFFAOYSA-N -1 3 269.275 3.182 20 0 CGADHM Cc1cc(-c2nnn[n-]2)ccc1-c1cccc2cc[nH]c21 ZINC001242363024 822967544 /nfs/dbraw/zinc/96/75/44/822967544.db2.gz ZPSNEPCUJXSAFH-UHFFFAOYSA-N -1 3 275.315 3.323 20 0 CGADHM Cc1cc(-c2nn[n-]n2)ccc1-c1cccc2cc[nH]c21 ZINC001242363024 822967548 /nfs/dbraw/zinc/96/75/48/822967548.db2.gz ZPSNEPCUJXSAFH-UHFFFAOYSA-N -1 3 275.315 3.323 20 0 CGADHM c1cc2ccncc2c(-c2ccc(Cc3nnn[n-]3)cc2)c1 ZINC001242373348 822972187 /nfs/dbraw/zinc/97/21/87/822972187.db2.gz YEBFZSIQHXHZKV-UHFFFAOYSA-N -1 3 287.326 3.006 20 0 CGADHM c1cc2ccncc2c(-c2ccc(Cc3nn[n-]n3)cc2)c1 ZINC001242373348 822972190 /nfs/dbraw/zinc/97/21/90/822972190.db2.gz YEBFZSIQHXHZKV-UHFFFAOYSA-N -1 3 287.326 3.006 20 0 CGADHM CCOc1ncccc1CN[C@H](C)c1cccc([O-])c1F ZINC001352085908 937035851 /nfs/dbraw/zinc/03/58/51/937035851.db2.gz XHFUMPSTNIBCHD-LLVKDONJSA-N -1 3 290.338 3.176 20 0 CGADHM COc1ccc(OC(=O)c2cccc(Cl)c2[O-])cc1 ZINC001353068831 937056744 /nfs/dbraw/zinc/05/67/44/937056744.db2.gz XZHGHWTVURYCKI-UHFFFAOYSA-N -1 3 278.691 3.273 20 0 CGADHM O=C([N-]c1c(F)cccc1F)c1cc2ncccc2o1 ZINC001350582883 926806170 /nfs/dbraw/zinc/80/61/70/926806170.db2.gz JNRQMQJIZLBHIP-UHFFFAOYSA-N -1 3 274.226 3.358 20 0 CGADHM O=C([N-]CCCC(F)F)C(F)(F)c1cc(F)cc(F)c1 ZINC001356103209 937153586 /nfs/dbraw/zinc/15/35/86/937153586.db2.gz SHWAJDZLCUVGHQ-UHFFFAOYSA-N -1 3 299.214 3.218 20 0 CGADHM C[C@@H](Oc1ncc(Br)cc1[O-])c1ccccn1 ZINC001228955663 927312548 /nfs/dbraw/zinc/31/25/48/927312548.db2.gz KOLGUSIIZXAHDE-MRVPVSSYSA-N -1 3 295.136 3.085 20 0 CGADHM O=C(Nc1ccc2ccccc2c1)c1cccc2n[n-]nc21 ZINC000163427605 927342686 /nfs/dbraw/zinc/34/26/86/927342686.db2.gz YMUMOZMDCILNCI-UHFFFAOYSA-N -1 3 288.310 3.363 20 0 CGADHM CC[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(C)(C)C ZINC001231073518 928078643 /nfs/dbraw/zinc/07/86/43/928078643.db2.gz LMTPETMGTZEBLZ-GFCCVEGCSA-N -1 3 260.341 3.070 20 0 CGADHM CSc1ccc([O-])c(C(=O)N[C@H](C)c2cccnc2)c1 ZINC001433592783 937248338 /nfs/dbraw/zinc/24/83/38/937248338.db2.gz TZLYITYWPMCZLY-SNVBAGLBSA-N -1 3 288.372 3.000 20 0 CGADHM COc1cccc([O-])c1C(=O)NC[C@H](C)c1cccc(C)c1 ZINC001444507779 937352621 /nfs/dbraw/zinc/35/26/21/937352621.db2.gz CIMRZKMGKCRUQA-ZDUSSCGKSA-N -1 3 299.370 3.243 20 0 CGADHM O=C(NCCC1CC1)c1cc2sccc2c([O-])c1 ZINC001444978982 937354564 /nfs/dbraw/zinc/35/45/64/937354564.db2.gz SDPADTDZWLVFNB-UHFFFAOYSA-N -1 3 261.346 3.137 20 0 CGADHM CSc1ccc([O-])c(C(=O)NCC(C2CC2)C2CC2)c1 ZINC001445010609 937354952 /nfs/dbraw/zinc/35/49/52/937354952.db2.gz OOVOJWSEYGJHQW-UHFFFAOYSA-N -1 3 291.416 3.280 20 0 CGADHM Nc1c(F)cc(F)cc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC001447285670 937367490 /nfs/dbraw/zinc/36/74/90/937367490.db2.gz FHSOJTPDMCKRCA-UHFFFAOYSA-N -1 3 298.676 3.158 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)C12CCC(CC1)C2(C)C ZINC001450379056 937385642 /nfs/dbraw/zinc/38/56/42/937385642.db2.gz YYEXNOZJWVGMED-BZUNDVKYSA-N -1 3 253.386 3.297 20 0 CGADHM Cc1sccc1[N-]C(=O)c1ocnc1C(F)(F)F ZINC001454683771 937410897 /nfs/dbraw/zinc/41/08/97/937410897.db2.gz KVKAYSXSURKBMR-UHFFFAOYSA-N -1 3 276.239 3.316 20 0 CGADHM Cc1cccnc1[C@@H](C)NC(=O)c1cc([O-])ccc1Cl ZINC001457132597 937439097 /nfs/dbraw/zinc/43/90/97/937439097.db2.gz FLKMQXYWAIYTFZ-SNVBAGLBSA-N -1 3 290.750 3.240 20 0 CGADHM CC(C)O[N-]C(=O)CCc1cccc(OC2CCCC2)c1 ZINC001117770267 931941819 /nfs/dbraw/zinc/94/18/19/931941819.db2.gz PZPVCMRLVSDWGY-UHFFFAOYSA-N -1 3 291.391 3.397 20 0 CGADHM CC(=O)c1cc(C(C)C)c([O-])cc1O[C@@H]1CCOC[C@H]1F ZINC001228960264 932060338 /nfs/dbraw/zinc/06/03/38/932060338.db2.gz ZSFCBFTTXQXAOR-UKRRQHHQSA-N -1 3 296.338 3.224 20 0 CGADHM C[C@H]1CC[C@H](Oc2cc(O)cc([O-])c2Br)C1 ZINC001229100080 932094846 /nfs/dbraw/zinc/09/48/46/932094846.db2.gz OWDLXHFBRYPWSB-CBAPKCEASA-N -1 3 287.153 3.428 20 0 CGADHM COC1=CC[C@H](Oc2nc(=S)[n-]c3sccc32)CC1 ZINC001229566578 932173811 /nfs/dbraw/zinc/17/38/11/932173811.db2.gz PNUCPEIULUFRKM-VIFPVBQESA-N -1 3 294.401 3.442 20 0 CGADHM Cc1nc(O[C@@H](C)c2ccccc2C)c(C)c(=O)[n-]1 ZINC001229686419 932470343 /nfs/dbraw/zinc/47/03/43/932470343.db2.gz RDTZYBNMIRZFHT-NSHDSACASA-N -1 3 258.321 3.247 20 0 CGADHM CC(C)C[C@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC001229955782 932509288 /nfs/dbraw/zinc/50/92/88/932509288.db2.gz ZFKCDBTZEPKHNW-AWEZNQCLSA-N -1 3 274.368 3.316 20 0 CGADHM CC(C)C[C@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC001229955782 932509295 /nfs/dbraw/zinc/50/92/95/932509295.db2.gz ZFKCDBTZEPKHNW-AWEZNQCLSA-N -1 3 274.368 3.316 20 0 CGADHM c1ccc2c(c1)CCC[C@@H]2Oc1ccccc1-c1nnn[n-]1 ZINC001229955656 932509644 /nfs/dbraw/zinc/50/96/44/932509644.db2.gz XYRRLFLDHSBOLC-HNNXBMFYSA-N -1 3 292.342 3.323 20 0 CGADHM c1ccc2c(c1)CCC[C@@H]2Oc1ccccc1-c1nn[n-]n1 ZINC001229955656 932509649 /nfs/dbraw/zinc/50/96/49/932509649.db2.gz XYRRLFLDHSBOLC-HNNXBMFYSA-N -1 3 292.342 3.323 20 0 CGADHM CC1(C)[C@H](Oc2ccccc2-c2nnn[n-]2)[C@]2(C)CC[C@H]1C2 ZINC001229955063 932510388 /nfs/dbraw/zinc/51/03/88/932510388.db2.gz SEVGXBURKAQAAZ-XNJJOIOASA-N -1 3 298.390 3.460 20 0 CGADHM CC1(C)[C@H](Oc2ccccc2-c2nn[n-]n2)[C@]2(C)CC[C@H]1C2 ZINC001229955063 932510393 /nfs/dbraw/zinc/51/03/93/932510393.db2.gz SEVGXBURKAQAAZ-XNJJOIOASA-N -1 3 298.390 3.460 20 0 CGADHM Cc1ccccc1[C@@H](C)Oc1nc(=O)[n-]c2c1SCC2 ZINC001230791588 932624778 /nfs/dbraw/zinc/62/47/78/932624778.db2.gz DYFCEPYUSRSFHO-SNVBAGLBSA-N -1 3 288.372 3.279 20 0 CGADHM CC(C)(CC(F)(F)F)NCc1ccc([O-])c(F)c1F ZINC001462101943 937618196 /nfs/dbraw/zinc/61/81/96/937618196.db2.gz FUAORCRWIJOGEJ-UHFFFAOYSA-N -1 3 283.240 3.491 20 0 CGADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)c1cccs1 ZINC001231072183 932670934 /nfs/dbraw/zinc/67/09/34/932670934.db2.gz ADFLASWAZFAERW-VIFPVBQESA-N -1 3 272.333 3.068 20 0 CGADHM CCC[C@H](Oc1ccc(-c2nn[n-]n2)cc1)[C@@H](C)CC ZINC001231073011 932671621 /nfs/dbraw/zinc/67/16/21/932671621.db2.gz IKAQOKRDXXQTGI-FZMZJTMJSA-N -1 3 274.368 3.460 20 0 CGADHM COc1ccccc1[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001231074559 932672762 /nfs/dbraw/zinc/67/27/62/932672762.db2.gz VPGQDFSDTYYGOY-NSHDSACASA-N -1 3 296.330 3.015 20 0 CGADHM CC(C)C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC001231074263 932672815 /nfs/dbraw/zinc/67/28/15/932672815.db2.gz SMGWIHVHENPHKB-AWEZNQCLSA-N -1 3 274.368 3.316 20 0 CGADHM C[C@@H](Oc1[n-]c(=O)nc2cccc(F)c21)c1ccccn1 ZINC001231074166 932672932 /nfs/dbraw/zinc/67/29/32/932672932.db2.gz MBYQYMNPTNDZJX-SECBINFHSA-N -1 3 285.278 3.010 20 0 CGADHM CCC[C@H](C)Oc1cc(=O)[n-]c(Cl)c1C(=O)OCC ZINC001231085997 932676081 /nfs/dbraw/zinc/67/60/81/932676081.db2.gz CAWOTZIKEWWKPI-QMMMGPOBSA-N -1 3 287.743 3.185 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2cncc(C(F)(F)F)c2)c1 ZINC001305728789 932870458 /nfs/dbraw/zinc/87/04/58/932870458.db2.gz BJBLGGWEFATFGS-UHFFFAOYSA-N -1 3 296.248 3.367 20 0 CGADHM Cc1ccc(NC(=O)c2cc(F)c(C=O)cc2F)c([O-])c1 ZINC001463697696 937679714 /nfs/dbraw/zinc/67/97/14/937679714.db2.gz OTTFSXXVRFRDFJ-UHFFFAOYSA-N -1 3 291.253 3.044 20 0 CGADHM CCc1ccc(CC(=O)Nc2cc(Cl)ccc2[O-])nc1 ZINC001466258174 937707253 /nfs/dbraw/zinc/70/72/53/937707253.db2.gz QIVXQDYAYLUJHP-UHFFFAOYSA-N -1 3 290.750 3.184 20 0 CGADHM Cc1cc(C(=O)[N-]c2c(C)noc2C2CC2)sc1C=O ZINC001466377454 937708297 /nfs/dbraw/zinc/70/82/97/937708297.db2.gz UFTHXJUTEJOKMA-UHFFFAOYSA-N -1 3 290.344 3.295 20 0 CGADHM C/C(=C\C1CCC(C)CC1)C(=O)Nc1ncccc1[O-] ZINC001466805260 937712435 /nfs/dbraw/zinc/71/24/35/937712435.db2.gz DAPLXRIXWMGWLU-ZRDIBKRKSA-N -1 3 274.364 3.498 20 0 CGADHM O=C(N[C@@H]1[C@@H]2CCC[C@@H]21)c1cc2sccc2c([O-])c1 ZINC001467515365 937719026 /nfs/dbraw/zinc/71/90/26/937719026.db2.gz GZXWEQMUVGWPJP-WDAIWFPHSA-N -1 3 273.357 3.135 20 0 CGADHM O=C([N-][C@@H]1C=CCCC1)C(F)(F)c1c(F)cccc1F ZINC001319607858 933900095 /nfs/dbraw/zinc/90/00/95/933900095.db2.gz NRSYZYGPCWVKNE-SECBINFHSA-N -1 3 287.256 3.282 20 0 CGADHM CO[C@H]([C@@H](C)NC(=O)c1ccc(C(C)C)cc1[O-])C1CC1 ZINC001468086493 937724308 /nfs/dbraw/zinc/72/43/08/937724308.db2.gz ABZCMYMSPXHKGT-BDJLRTHQSA-N -1 3 291.391 3.059 20 0 CGADHM CSc1ccc([O-])c(C(=O)NC[C@@]2(C)CC2(C)C)c1 ZINC001471618749 937767723 /nfs/dbraw/zinc/76/77/23/937767723.db2.gz CUMBZQHEFQXGTN-OAHLLOKOSA-N -1 3 279.405 3.280 20 0 CGADHM CSc1ccc([O-])c(C(=O)NCC[C@@H]2C[C@H]2C2CC2)c1 ZINC001471874568 937770033 /nfs/dbraw/zinc/77/00/33/937770033.db2.gz WXCBMRDOONUDSX-YPMHNXCESA-N -1 3 291.416 3.280 20 0 CGADHM C[C@H]1Cc2ccccc2N(Cc2cc(=O)[n-]c(C3CC3)n2)C1 ZINC001473152972 937794828 /nfs/dbraw/zinc/79/48/28/937794828.db2.gz QCVSOILMJXZEHO-LBPRGKRZSA-N -1 3 295.386 3.258 20 0 CGADHM CC(C)(C)O[N-]C(=O)CCc1ccc2ccccc2c1O ZINC001325182918 934892215 /nfs/dbraw/zinc/89/22/15/934892215.db2.gz YTDZGSIDVXLJPL-UHFFFAOYSA-N -1 3 287.359 3.324 20 0 CGADHM O=C([N-]c1nc(C2CC2)no1)c1cscc1C(F)F ZINC001331339557 935371627 /nfs/dbraw/zinc/37/16/27/935371627.db2.gz UXDFHNTWGSXGEP-UHFFFAOYSA-N -1 3 285.275 3.198 20 0 CGADHM O=C(CC(C1CC1)C1CC1)[N-]Oc1ccccc1F ZINC001332402312 935465759 /nfs/dbraw/zinc/46/57/59/935465759.db2.gz NXZLOXFIINAROV-UHFFFAOYSA-N -1 3 263.312 3.062 20 0 CGADHM COc1csc(C(=O)[N-]c2cnoc2C(C)C)c1 ZINC001336627706 936202611 /nfs/dbraw/zinc/20/26/11/936202611.db2.gz JADYTWIKLKNYRI-UHFFFAOYSA-N -1 3 266.322 3.120 20 0 CGADHM CCc1cnc([N-]C(=O)c2c(F)c(F)cc(F)c2F)o1 ZINC001516647219 938009337 /nfs/dbraw/zinc/00/93/37/938009337.db2.gz PKCWQXPBCSNIMI-UHFFFAOYSA-N -1 3 288.200 3.046 20 0 CGADHM CSc1cc(F)ccc1[N-]C(=O)c1cncs1 ZINC001529653595 938074044 /nfs/dbraw/zinc/07/40/44/938074044.db2.gz QPDPNNOAEZCWCL-UHFFFAOYSA-N -1 3 268.338 3.256 20 0 CGADHM CCc1nocc1C(=O)[N-]c1noc(C(C)(C)C)c1C ZINC001535828275 938102910 /nfs/dbraw/zinc/10/29/10/938102910.db2.gz YEYROHUOWXHHHK-UHFFFAOYSA-N -1 3 277.324 3.083 20 0 CGADHM Cc1cccc([O-])c1C(=O)N[C@@H]1C[C@@]1(C)c1ccccc1 ZINC001544980406 938148103 /nfs/dbraw/zinc/14/81/03/938148103.db2.gz RQYLRKQPLPSUOU-QAPCUYQASA-N -1 3 281.355 3.161 20 0 CGADHM O=C([O-])[C@@H]1CN(Cc2cc(F)ccc2Cl)C[C@@H]1C1CC1 ZINC001549115521 938155258 /nfs/dbraw/zinc/15/52/58/938155258.db2.gz AHPISXUDQSMDMF-CHWSQXEVSA-N -1 3 297.757 3.022 20 0 CGADHM CC1(C)CN(C(=O)Cc2cccc([O-])c2F)[C@H]2CCC[C@H]21 ZINC001551155380 938176698 /nfs/dbraw/zinc/17/66/98/938176698.db2.gz NDPGTONPZJIUAB-OLZOCXBDSA-N -1 3 291.366 3.111 20 0 CGADHM CC1(C)CN(C(=O)Cc2cccc([O-])c2F)[C@H]2CCC[C@@H]21 ZINC001551155384 938176818 /nfs/dbraw/zinc/17/68/18/938176818.db2.gz NDPGTONPZJIUAB-STQMWFEESA-N -1 3 291.366 3.111 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)N1CCCCC2(CCC2)C1 ZINC001551632016 938183045 /nfs/dbraw/zinc/18/30/45/938183045.db2.gz DWMNFPFGZASGCY-UHFFFAOYSA-N -1 3 291.366 3.257 20 0 CGADHM COc1ccc(C(=O)N2CC[C@@H]2C2CCCCC2)c([O-])c1 ZINC001551763795 938185972 /nfs/dbraw/zinc/18/59/72/938185972.db2.gz CUUPJWIULABZKK-OAHLLOKOSA-N -1 3 289.375 3.196 20 0 CGADHM O=C([N-]OC1CCC1)[C@@H]1C2CCC(CC2)[C@@H]1C(F)(F)F ZINC001552144219 938190169 /nfs/dbraw/zinc/19/01/69/938190169.db2.gz IKNCTZUMHYSAOT-FZOPHOIVSA-N -1 3 291.313 3.201 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2cccc3c(=O)[nH]ccc23)c1 ZINC001556599890 938204727 /nfs/dbraw/zinc/20/47/27/938204727.db2.gz RCYKMUGOOXQVMD-UHFFFAOYSA-N -1 3 294.310 3.207 20 0 CGADHM Cc1ccc(/C=C/C(=O)Nc2c([O-])cccc2Cl)cn1 ZINC001556784584 938205726 /nfs/dbraw/zinc/20/57/26/938205726.db2.gz YOYJMJCQMYBXIZ-BQYQJAHWSA-N -1 3 288.734 3.401 20 0 CGADHM COc1cc(C(=O)[N-]c2ccc(C)cc2SC)sn1 ZINC001557055223 938207361 /nfs/dbraw/zinc/20/73/61/938207361.db2.gz IYHYKZNDWSEWFB-UHFFFAOYSA-N -1 3 294.401 3.434 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2ccc3c(c2)C[C@H](C)O3)c1 ZINC001558617563 938216616 /nfs/dbraw/zinc/21/66/16/938216616.db2.gz PSTQPWQIWGNCAI-NSHDSACASA-N -1 3 283.327 3.276 20 0 CGADHM Cc1cccc([O-])c1C(=O)NC[C@H]1C[C@@H]1C1CCCC1 ZINC001558843707 938218052 /nfs/dbraw/zinc/21/80/52/938218052.db2.gz WAGPCFGBGISRJK-ZIAGYGMSSA-N -1 3 273.376 3.257 20 0 CGADHM CC1(C)CCN(Cc2ccc([O-])c(F)c2F)CCS1 ZINC001560796407 938276064 /nfs/dbraw/zinc/27/60/64/938276064.db2.gz YJZJOJYDNIIDEO-UHFFFAOYSA-N -1 3 287.375 3.388 20 0 CGADHM CC(C)c1nc([C@H](C)NCCCCC(=O)[O-])cs1 ZINC001603107072 972183323 /nfs/dbraw/zinc/18/33/23/972183323.db2.gz KQLOJGYAIWYDCR-JTQLQIEISA-N -1 3 270.398 3.172 20 0 CGADHM Cc1cscc1CNCc1ccc(C(=O)[O-])cc1 ZINC000094878096 958316688 /nfs/dbraw/zinc/31/66/88/958316688.db2.gz XGCJEZDVKDDFHG-UHFFFAOYSA-N -1 3 261.346 3.045 20 0 CGADHM O=C(Nc1cccc([O-])c1F)c1cccnc1C(F)F ZINC001566435304 960925124 /nfs/dbraw/zinc/92/51/24/960925124.db2.gz AGFBEKLYMRRMNY-UHFFFAOYSA-N -1 3 282.221 3.116 20 0 CGADHM Cc1ccc(C(=O)NC[C@@H]2CCc3ccccc3C2)c([O-])c1 ZINC001566983368 961087996 /nfs/dbraw/zinc/08/79/96/961087996.db2.gz VJFLVSTUZATUCN-CQSZACIVSA-N -1 3 295.382 3.236 20 0 CGADHM Cc1ccc(F)c(CCNC(=O)c2c(C)cccc2[O-])c1 ZINC001569157181 961707124 /nfs/dbraw/zinc/70/71/24/961707124.db2.gz JNYJQUXHSDFYNY-UHFFFAOYSA-N -1 3 287.334 3.121 20 0 CGADHM C=COc1ccc(Nc2cc(F)ccc2-c2nnn[n-]2)cc1 ZINC001573350571 962251776 /nfs/dbraw/zinc/25/17/76/962251776.db2.gz GNVQBWHOLGTZGL-UHFFFAOYSA-N -1 3 297.293 3.272 20 0 CGADHM C=COc1ccc(Nc2cc(F)ccc2-c2nn[n-]n2)cc1 ZINC001573350571 962251794 /nfs/dbraw/zinc/25/17/94/962251794.db2.gz GNVQBWHOLGTZGL-UHFFFAOYSA-N -1 3 297.293 3.272 20 0 CGADHM CC(C)(C)CNc1ccc(C2CC2)c(-c2nnn[n-]2)c1 ZINC001573845614 962281544 /nfs/dbraw/zinc/28/15/44/962281544.db2.gz JILSCSQHWRZTIH-UHFFFAOYSA-N -1 3 271.368 3.202 20 0 CGADHM CC(C)(C)CNc1ccc(C2CC2)c(-c2nn[n-]n2)c1 ZINC001573845614 962281560 /nfs/dbraw/zinc/28/15/60/962281560.db2.gz JILSCSQHWRZTIH-UHFFFAOYSA-N -1 3 271.368 3.202 20 0 CGADHM CCCCCSCc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001577508015 962551859 /nfs/dbraw/zinc/55/18/59/962551859.db2.gz DCVNUFMGHVYTGB-UHFFFAOYSA-N -1 3 280.372 3.429 20 0 CGADHM CCCCCSCc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001577508015 962551864 /nfs/dbraw/zinc/55/18/64/962551864.db2.gz DCVNUFMGHVYTGB-UHFFFAOYSA-N -1 3 280.372 3.429 20 0 CGADHM Cc1cc(SCCCCCF)ccc1-c1nnn[n-]1 ZINC001581044601 962747832 /nfs/dbraw/zinc/74/78/32/962747832.db2.gz HKLYWVIKLSRMSQ-UHFFFAOYSA-N -1 3 280.372 3.407 20 0 CGADHM Cc1cc(SCCCCCF)ccc1-c1nn[n-]n1 ZINC001581044601 962747842 /nfs/dbraw/zinc/74/78/42/962747842.db2.gz HKLYWVIKLSRMSQ-UHFFFAOYSA-N -1 3 280.372 3.407 20 0 CGADHM Cc1cc(N[C@@H]2C[C@@H]3CCCC[C@H]23)cc(-c2nnn[n-]2)c1 ZINC001581010875 962750387 /nfs/dbraw/zinc/75/03/87/962750387.db2.gz XYDADYLDYLUOND-TUKIKUTGSA-N -1 3 283.379 3.166 20 0 CGADHM Cc1cc(N[C@@H]2C[C@@H]3CCCC[C@H]23)cc(-c2nn[n-]n2)c1 ZINC001581010875 962750398 /nfs/dbraw/zinc/75/03/98/962750398.db2.gz XYDADYLDYLUOND-TUKIKUTGSA-N -1 3 283.379 3.166 20 0 CGADHM Cc1cc(F)c(-c2nnn[n-]2)c(N[C@@H]2CCCC23CC3)c1 ZINC001580930758 962754147 /nfs/dbraw/zinc/75/41/47/962754147.db2.gz JCSXTKLTTCTABG-GFCCVEGCSA-N -1 3 287.342 3.059 20 0 CGADHM Cc1cc(F)c(-c2nn[n-]n2)c(N[C@@H]2CCCC23CC3)c1 ZINC001580930758 962754156 /nfs/dbraw/zinc/75/41/56/962754156.db2.gz JCSXTKLTTCTABG-GFCCVEGCSA-N -1 3 287.342 3.059 20 0 CGADHM Cc1cccc(-c2nnn[n-]2)c1SCc1cccnc1C ZINC001581219328 962754705 /nfs/dbraw/zinc/75/47/05/962754705.db2.gz JMEGUOZKCLMNLI-UHFFFAOYSA-N -1 3 297.387 3.171 20 0 CGADHM Cc1cccc(-c2nn[n-]n2)c1SCc1cccnc1C ZINC001581219328 962754718 /nfs/dbraw/zinc/75/47/18/962754718.db2.gz JMEGUOZKCLMNLI-UHFFFAOYSA-N -1 3 297.387 3.171 20 0 CGADHM CSc1ccc([O-])c(C(=O)N[C@H](C(C)C)C2CC2)c1 ZINC001585274489 962998220 /nfs/dbraw/zinc/99/82/20/962998220.db2.gz YWQYICQZTDFFQW-CQSZACIVSA-N -1 3 279.405 3.279 20 0 CGADHM CSc1cc(F)ccc1[N-]C(=O)c1ccnc(F)c1F ZINC001585859408 963053438 /nfs/dbraw/zinc/05/34/38/963053438.db2.gz VPBYKILLNJARTM-UHFFFAOYSA-N -1 3 298.289 3.473 20 0 CGADHM COc1cccc([O-])c1C(=O)NCC1CCC2(CC2)CC1 ZINC001586368253 963102247 /nfs/dbraw/zinc/10/22/47/963102247.db2.gz BKZJFSAYMRMBMN-UHFFFAOYSA-N -1 3 289.375 3.101 20 0 CGADHM CSC[C@H](C)NC(=O)c1cc2sccc2c([O-])c1 ZINC001586450703 963106840 /nfs/dbraw/zinc/10/68/40/963106840.db2.gz AVCBWHFUNHVCSV-QMMMGPOBSA-N -1 3 281.402 3.088 20 0 CGADHM O=C([N-]c1ccnc(F)c1F)c1sccc1Cl ZINC001587734146 963221333 /nfs/dbraw/zinc/22/13/33/963221333.db2.gz JUYXKMCXZWIOBV-UHFFFAOYSA-N -1 3 274.679 3.327 20 0 CGADHM Cc1c(C(=O)[O-])cc(CN[C@@H](C)c2ccc(C)cc2)n1C ZINC000314081760 963708146 /nfs/dbraw/zinc/70/81/46/963708146.db2.gz WDPOBGQZBANZSX-LBPRGKRZSA-N -1 3 286.375 3.191 20 0 CGADHM C[C@H](NCCC(C)(C)C1CC1)c1ncc(C(=O)[O-])s1 ZINC000314734017 963799913 /nfs/dbraw/zinc/79/99/13/963799913.db2.gz AVVIBPQTVCSYHW-VIFPVBQESA-N -1 3 282.409 3.318 20 0 CGADHM CN(CCC(C)(C)C)Cc1cc(C(=O)[O-])ccc1F ZINC000399708020 973236350 /nfs/dbraw/zinc/23/63/50/973236350.db2.gz CAGUBYCHURRJQR-UHFFFAOYSA-N -1 3 267.344 3.392 20 0 CGADHM Cc1sc(C(=O)[O-])cc1CN1CCC[C@@H](OC(C)C)C1 ZINC000404611028 973738048 /nfs/dbraw/zinc/73/80/48/973738048.db2.gz SJWULQUVJUDSAO-CYBMUJFWSA-N -1 3 297.420 3.144 20 0 CGADHM CCC[C@@H](CN[C@@H](C(=O)[O-])c1ccccc1Cl)OCC ZINC001595593046 981555135 /nfs/dbraw/zinc/55/51/35/981555135.db2.gz RATMSTBHYCRNLB-SMDDNHRTSA-N -1 3 299.798 3.261 20 0 CGADHM CCOc1cccc(Cl)c1CN(CC)C(C)(C)C(=O)[O-] ZINC001597155606 986952607 /nfs/dbraw/zinc/95/26/07/986952607.db2.gz PQILFDZCQPFVMW-UHFFFAOYSA-N -1 3 299.798 3.424 20 0 CGADHM CCc1oc(C(=O)[O-])cc1CN1CCC(C)=C(C)C1 ZINC001597762294 989193019 /nfs/dbraw/zinc/19/30/19/989193019.db2.gz BMHCKNHAGAPRQT-UHFFFAOYSA-N -1 3 263.337 3.082 20 0 CGADHM CCn1ccc(CN(C)Cc2ccc(C(=O)[O-])c(C)c2)c1 ZINC001597904362 989785472 /nfs/dbraw/zinc/78/54/72/989785472.db2.gz HUQHDOJCSYFVCP-UHFFFAOYSA-N -1 3 286.375 3.147 20 0 CGADHM CC(C)C[C@@H]1C[C@H]1N[C@@H](C)c1cc(C(=O)[O-])co1 ZINC001591444490 992540841 /nfs/dbraw/zinc/54/08/41/992540841.db2.gz FCBRNIJHVGLPDJ-HOSYDEDBSA-N -1 3 251.326 3.063 20 0 CGADHM CN(Cc1nc(C(=O)[O-])cs1)[C@H]1CCC[C@@H]1C(C)(C)C ZINC001598537439 992856758 /nfs/dbraw/zinc/85/67/58/992856758.db2.gz ZISHLWXCNXMWCL-JQWIXIFHSA-N -1 3 296.436 3.488 20 0 CGADHM C[C@H](NCCc1cccc(F)c1F)c1cc(C(=O)[O-])co1 ZINC001593275635 994629906 /nfs/dbraw/zinc/62/99/06/994629906.db2.gz UDUYYBRFBZZLRH-VIFPVBQESA-N -1 3 295.285 3.149 20 0 CGADHM C[C@@H](NCc1ncc(C(=O)[O-])s1)[C@H](C)c1ccccc1 ZINC001593317609 994821574 /nfs/dbraw/zinc/82/15/74/994821574.db2.gz RIDKBDVYMCGZHH-WDEREUQCSA-N -1 3 290.388 3.123 20 0 CGADHM C[C@@H](c1ncc(C(=O)[O-])s1)N1CCC[C@@H]1C(C)(C)C ZINC001593732445 996312739 /nfs/dbraw/zinc/31/27/39/996312739.db2.gz USLMYTQWFGGOQN-GXSJLCMTSA-N -1 3 282.409 3.413 20 0 CGADHM C[C@H]1CC(C(=O)[O-])C[C@H](C)N1Cc1ccsc1Cl ZINC001594211104 998821431 /nfs/dbraw/zinc/82/14/31/998821431.db2.gz YWHFLKZOHVUIPX-IUCAKERBSA-N -1 3 287.812 3.475 20 0 CGADHM CCc1ccc(C(=O)N(C)C[C@H]2CC2(C)C)c([O-])c1 ZINC000621044373 349449800 /nfs/dbraw/zinc/44/98/00/349449800.db2.gz QBFLJOZYMWAYCB-GFCCVEGCSA-N -1 3 261.365 3.073 20 0 CGADHM CSc1ccc([O-])c(C(=O)N(C)C[C@@H]2CC2(C)C)c1 ZINC000621046192 349451222 /nfs/dbraw/zinc/45/12/22/349451222.db2.gz ZTINKKSVTDWLIU-JTQLQIEISA-N -1 3 279.405 3.232 20 0 CGADHM [O-]c1cc(F)cc(CN2CCCC[C@@H]2C(F)F)c1 ZINC000337418454 214069402 /nfs/dbraw/zinc/06/94/02/214069402.db2.gz VEBGHZKGCMXSFX-GFCCVEGCSA-N -1 3 259.271 3.151 20 0 CGADHM [O-]c1cc2ccccc2cc1-c1nc(C2CCOCC2)no1 ZINC000124914147 187161003 /nfs/dbraw/zinc/16/10/03/187161003.db2.gz SWVBKKDAMCZMQS-UHFFFAOYSA-N -1 3 296.326 3.489 20 0 CGADHM CCCOCC(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000337604932 214177905 /nfs/dbraw/zinc/17/79/05/214177905.db2.gz CWSZPIZYEBZHSC-UHFFFAOYSA-N -1 3 265.353 3.055 20 0 CGADHM C[C@H]1CC[C@@]2(CCN(C(=O)c3ccccc3[O-])C2)C1 ZINC000360679788 290624221 /nfs/dbraw/zinc/62/42/21/290624221.db2.gz ICFFUYVJJXKPRO-BLLLJJGKSA-N -1 3 259.349 3.045 20 0 CGADHM Cc1nc2ccc(C(=O)Nc3cc(F)ccc3[O-])cc2o1 ZINC000350699836 219050221 /nfs/dbraw/zinc/05/02/21/219050221.db2.gz HWVYDRSGBHZZJD-UHFFFAOYSA-N -1 3 286.262 3.233 20 0 CGADHM O=C(c1cc(F)c[n-]c1=O)N(CC1CCCCC1)C1CC1 ZINC000621693487 349555996 /nfs/dbraw/zinc/55/59/96/349555996.db2.gz WVDUVMKKIKJIGG-UHFFFAOYSA-N -1 3 292.354 3.111 20 0 CGADHM C[C@@H]1C[C@@H](C)N(C(=O)c2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000621878965 349601218 /nfs/dbraw/zinc/60/12/18/349601218.db2.gz GRQGMAJBWJXJTJ-RKDXNWHRSA-N -1 3 287.281 3.282 20 0 CGADHM COc1cc(C)cc(-c2nc([C@@H](C)C3CC3)no2)c1[O-] ZINC000273871579 192341853 /nfs/dbraw/zinc/34/18/53/192341853.db2.gz DWYUMVFDNRVRIJ-VIFPVBQESA-N -1 3 274.320 3.273 20 0 CGADHM COc1ccc([O-])c(C(=O)Nc2nccc(C)c2C2CC2)c1 ZINC000622150640 349639464 /nfs/dbraw/zinc/63/94/64/349639464.db2.gz XWBXTHIKRJEYEU-UHFFFAOYSA-N -1 3 298.342 3.234 20 0 CGADHM CCC1(CC)CCCN(C(=O)c2c([O-])cccc2O)C1 ZINC000622172414 349641786 /nfs/dbraw/zinc/64/17/86/349641786.db2.gz KPNHSMDPRPQMDV-UHFFFAOYSA-N -1 3 277.364 3.140 20 0 CGADHM CC[C@@H](C)n1ncc(NCc2nc(C)ccc2[O-])c1C ZINC000359793923 529443576 /nfs/dbraw/zinc/44/35/76/529443576.db2.gz HLVPFMJIVXYNJD-LLVKDONJSA-N -1 3 274.368 3.184 20 0 CGADHM O=C(NC1(C2CC2)CC1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622439959 349679196 /nfs/dbraw/zinc/67/91/96/349679196.db2.gz VTMYKVKWKOUWOR-UHFFFAOYSA-N -1 3 285.265 3.083 20 0 CGADHM Cc1ccc(F)c(CC(=O)Nc2ccccc2[O-])c1 ZINC000622322361 349672196 /nfs/dbraw/zinc/67/21/96/349672196.db2.gz MMMKBCLGXBRLFM-UHFFFAOYSA-N -1 3 259.280 3.021 20 0 CGADHM CC(C)c1ccc(C(=O)NC[C@@H]2CCC(C)(C)O2)c([O-])c1 ZINC000622527988 349685240 /nfs/dbraw/zinc/68/52/40/349685240.db2.gz NVSFXQDNSOQMAK-ZDUSSCGKSA-N -1 3 291.391 3.203 20 0 CGADHM CC(C)C[C@H](C)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000269822896 190556437 /nfs/dbraw/zinc/55/64/37/190556437.db2.gz UAZRUQDPMBLJKX-NSHDSACASA-N -1 3 272.348 3.105 20 0 CGADHM CC(C)(NC(=O)c1cc([O-])cc(C(F)(F)F)c1)C(F)F ZINC000622570640 349686942 /nfs/dbraw/zinc/68/69/42/349686942.db2.gz LEKXMLNVTSFQMX-UHFFFAOYSA-N -1 3 297.223 3.185 20 0 CGADHM Cc1ccc(C(=O)NCC23CCC(CC2)C3)c([O-])c1 ZINC000622466878 349682364 /nfs/dbraw/zinc/68/23/64/349682364.db2.gz ZGWIFSODLGUMIS-UHFFFAOYSA-N -1 3 259.349 3.011 20 0 CGADHM CCc1ccc(C(=O)NCCc2sccc2C)c([O-])c1 ZINC000622482477 349683091 /nfs/dbraw/zinc/68/30/91/349683091.db2.gz AHUJSUPNQQLZRT-UHFFFAOYSA-N -1 3 289.400 3.297 20 0 CGADHM COc1ccc(C(=O)N(C)Cc2ccc(C)c(C)c2)c([O-])c1 ZINC000456943312 536695427 /nfs/dbraw/zinc/69/54/27/536695427.db2.gz GTYNIPCRNUHKGR-UHFFFAOYSA-N -1 3 299.370 3.290 20 0 CGADHM CCc1cc(C(=O)N2CCC(CC)CC2)ccc1[O-] ZINC000436686478 529511631 /nfs/dbraw/zinc/51/16/31/529511631.db2.gz DQNDAZYOSFNDGX-UHFFFAOYSA-N -1 3 261.365 3.217 20 0 CGADHM CCc1cc(C(=O)N2C[C@@H](C)C[C@@H]2CC)ccc1[O-] ZINC000436700546 529515122 /nfs/dbraw/zinc/51/51/22/529515122.db2.gz WBTRPBNGFWSJKV-FZMZJTMJSA-N -1 3 261.365 3.215 20 0 CGADHM CCc1cc(C(=O)N[C@@H](CC)C(F)(F)F)ccc1[O-] ZINC000436705479 529518881 /nfs/dbraw/zinc/51/88/81/529518881.db2.gz KHSPKEXDXFMBFU-NSHDSACASA-N -1 3 275.270 3.025 20 0 CGADHM CCc1cc(C(=O)Nc2cccc3[nH]cnc32)ccc1[O-] ZINC000362804876 529521349 /nfs/dbraw/zinc/52/13/49/529521349.db2.gz HUICFDNMTJPMQS-UHFFFAOYSA-N -1 3 281.315 3.083 20 0 CGADHM CCc1ccc(C(=O)Nc2ccccc2F)c([O-])c1 ZINC000436803397 529611290 /nfs/dbraw/zinc/61/12/90/529611290.db2.gz OUNPXGUGPLCZIG-UHFFFAOYSA-N -1 3 259.280 3.346 20 0 CGADHM CCc1ccc(C(=O)N2CCC[C@@H](C(C)C)C2)c([O-])c1 ZINC000436842073 529596305 /nfs/dbraw/zinc/59/63/05/529596305.db2.gz VKPSELPAJLZMGD-CQSZACIVSA-N -1 3 275.392 3.463 20 0 CGADHM CCc1ccc(C(=O)N2CC[C@@H](C)C[C@H](C)C2)c([O-])c1 ZINC000436830948 529599919 /nfs/dbraw/zinc/59/99/19/529599919.db2.gz OSZACKAPLDBYRZ-OLZOCXBDSA-N -1 3 275.392 3.463 20 0 CGADHM CCc1ccnc(-c2noc(-c3cccc(OC)c3[O-])n2)c1 ZINC000436598309 529624422 /nfs/dbraw/zinc/62/44/22/529624422.db2.gz ZYEMWGJGKLBYQU-UHFFFAOYSA-N -1 3 297.314 3.075 20 0 CGADHM C[C@H]1CCCN(C(=O)c2cc([O-])cc(Br)c2)C1 ZINC000623359641 349789159 /nfs/dbraw/zinc/78/91/59/349789159.db2.gz ZLGZHFLQSXHADI-VIFPVBQESA-N -1 3 298.180 3.027 20 0 CGADHM CCc1ccc(CNC(=O)Cc2ccc([O-])c(F)c2)s1 ZINC000448705536 529648328 /nfs/dbraw/zinc/64/83/28/529648328.db2.gz UUJFWKKHBZSFDN-UHFFFAOYSA-N -1 3 293.363 3.014 20 0 CGADHM CCc1ccc(CNCCC(C)(C)CCC(=O)[O-])o1 ZINC000426633182 529651501 /nfs/dbraw/zinc/65/15/01/529651501.db2.gz CNXXWBDQUJTVRR-UHFFFAOYSA-N -1 3 267.369 3.213 20 0 CGADHM CCc1ccc(CN[C@H](C(=O)[O-])c2ccc(C)cc2)cc1 ZINC000426712698 529656839 /nfs/dbraw/zinc/65/68/39/529656839.db2.gz YCGOWIYQVLRBBJ-KRWDZBQOSA-N -1 3 283.371 3.473 20 0 CGADHM CCN(C(=O)c1csc(=O)[n-]1)[C@H](C)Cc1ccsc1 ZINC000351439968 219097356 /nfs/dbraw/zinc/09/73/56/219097356.db2.gz ZTDSQWSJYLHIJL-SECBINFHSA-N -1 3 296.417 3.004 20 0 CGADHM CCN(Cc1cccs1)C(=O)c1c(C)cccc1[O-] ZINC000623505885 349823451 /nfs/dbraw/zinc/82/34/51/349823451.db2.gz UGOITDACKYTYAT-UHFFFAOYSA-N -1 3 275.373 3.424 20 0 CGADHM O=c1cc(CSCCC[C@H]2CCOC2)nc(C2CC2)[n-]1 ZINC000592455125 346989227 /nfs/dbraw/zinc/98/92/27/346989227.db2.gz HULYDPAKVKQIBV-NSHDSACASA-N -1 3 294.420 3.110 20 0 CGADHM Cc1ccc([O-])c(C(=O)N[C@H]2CCc3ccc(F)cc32)c1 ZINC000592658489 347003834 /nfs/dbraw/zinc/00/38/34/347003834.db2.gz RXTZOQBNONMGEE-HNNXBMFYSA-N -1 3 285.318 3.257 20 0 CGADHM CN(CCOc1ccccc1)Cc1c(F)ccc([O-])c1F ZINC000438857364 529927035 /nfs/dbraw/zinc/92/70/35/529927035.db2.gz NMBSMXIXCVBARM-UHFFFAOYSA-N -1 3 293.313 3.181 20 0 CGADHM O=C(Nc1ncccc1[O-])c1cc(Cl)sc1Cl ZINC000022263998 344894946 /nfs/dbraw/zinc/89/49/46/344894946.db2.gz KMAUXLVNSDRXRA-UHFFFAOYSA-N -1 3 289.143 3.408 20 0 CGADHM CCC[C@H](C)N(C)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000030270074 344922101 /nfs/dbraw/zinc/92/21/01/344922101.db2.gz REWZSXRRFPKVBS-NSHDSACASA-N -1 3 299.374 3.290 20 0 CGADHM CCCc1sc(C(=O)[N-]c2nc(C)no2)cc1CC ZINC000042762588 344987438 /nfs/dbraw/zinc/98/74/38/344987438.db2.gz IKMOXZBJZNLYFP-UHFFFAOYSA-N -1 3 279.365 3.207 20 0 CGADHM CC(C)(C)n1nc(C(=O)Nc2ccccc2[O-])cc1C1CC1 ZINC000042767314 344988009 /nfs/dbraw/zinc/98/80/09/344988009.db2.gz UKCDQUNEFLWMML-UHFFFAOYSA-N -1 3 299.374 3.473 20 0 CGADHM Cc1nc(Cc2ccccc2)sc1C(=O)[N-]c1cnoc1 ZINC000623940001 349922633 /nfs/dbraw/zinc/92/26/33/349922633.db2.gz MVVXHLYASFAKOM-UHFFFAOYSA-N -1 3 299.355 3.283 20 0 CGADHM CC[C@H](C)[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000057102597 345173657 /nfs/dbraw/zinc/17/36/57/345173657.db2.gz UCSBICPVQZYLIT-YUMQZZPRSA-N -1 3 281.830 3.114 20 0 CGADHM COc1ccc(C(=O)CCC(=O)Nc2ccccc2[O-])cc1 ZINC000061620147 345231156 /nfs/dbraw/zinc/23/11/56/345231156.db2.gz JWNCFGAZPYIFTR-UHFFFAOYSA-N -1 3 299.326 3.002 20 0 CGADHM CC(C)N(Cc1ccc(C(=O)[O-])cc1F)CC1CC1 ZINC000062755812 345240082 /nfs/dbraw/zinc/24/00/82/345240082.db2.gz SZMKOWZBGSIFSH-UHFFFAOYSA-N -1 3 265.328 3.144 20 0 CGADHM Cc1ccc(C(=O)N2CC3C[C@@H]4CC2C[C@H](C3)C4)c([O-])c1 ZINC000065814625 345279143 /nfs/dbraw/zinc/27/91/43/345279143.db2.gz ABOHFVSJTQDRNQ-DGKWVBSXSA-N -1 3 285.387 3.351 20 0 CGADHM CC(C)(C)c1nsc([N-]C(=O)c2cccc(F)c2F)n1 ZINC000068071736 345341974 /nfs/dbraw/zinc/34/19/74/345341974.db2.gz VLUAPKXYSRGWIQ-UHFFFAOYSA-N -1 3 297.330 3.366 20 0 CGADHM CC[C@H]1CCCN(Cc2cc(C(=O)[O-])c(C)o2)CC1 ZINC000079348609 345638552 /nfs/dbraw/zinc/63/85/52/345638552.db2.gz XDVJPEZZXGKZCB-LBPRGKRZSA-N -1 3 265.353 3.298 20 0 CGADHM COC(C)(C)c1noc(-c2cc(Cl)c(Cl)[n-]2)n1 ZINC000085236883 345745028 /nfs/dbraw/zinc/74/50/28/345745028.db2.gz VQNQZCXEUBFUOW-UHFFFAOYSA-N -1 3 276.123 3.253 20 0 CGADHM C[C@H](c1ccc(F)cc1F)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC000086783209 345751167 /nfs/dbraw/zinc/75/11/67/345751167.db2.gz CALXDVVRQOTWDV-MEBBXXQBSA-N -1 3 283.318 3.213 20 0 CGADHM O=C([O-])c1ccc(CN2CCC[C@H]3CCC[C@@H]32)c(F)c1 ZINC000087785873 345756780 /nfs/dbraw/zinc/75/67/80/345756780.db2.gz CXJZTGAJEJXMTI-ABAIWWIYSA-N -1 3 277.339 3.288 20 0 CGADHM C[C@H](CCC[C@@H](C)C(=O)[O-])NCc1ccc(F)cc1F ZINC000087678005 345756939 /nfs/dbraw/zinc/75/69/39/345756939.db2.gz FUCIEIJJKUNXSG-GHMZBOCLSA-N -1 3 285.334 3.334 20 0 CGADHM C[C@H]1CC(C(=O)Nc2ccc(Cl)cc2[O-])C[C@H](C)O1 ZINC000091695606 345821195 /nfs/dbraw/zinc/82/11/95/345821195.db2.gz DIERDINTGJPNPU-IUCAKERBSA-N -1 3 283.755 3.188 20 0 CGADHM Cc1ccc([O-])c(C(=O)N(Cc2cccnc2)C(C)C)c1 ZINC000094020625 345894511 /nfs/dbraw/zinc/89/45/11/345894511.db2.gz QTAZJKAIAYSQSV-UHFFFAOYSA-N -1 3 284.359 3.146 20 0 CGADHM Cc1cc(N[C@@H]2CC[C@H](C(=O)[O-])C2)c2ccccc2n1 ZINC000097064932 345906941 /nfs/dbraw/zinc/90/69/41/345906941.db2.gz HXHBQVLQAZJIHJ-NWDGAFQWSA-N -1 3 270.332 3.208 20 0 CGADHM CCCCO[C@H](C)C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000116979938 345980834 /nfs/dbraw/zinc/98/08/34/345980834.db2.gz HWUSQHXFYVXQOU-SNVBAGLBSA-N -1 3 285.771 3.498 20 0 CGADHM CN(CCC(=O)OC(C)(C)C)Cc1cccc([O-])c1Cl ZINC000351663573 219166851 /nfs/dbraw/zinc/16/68/51/219166851.db2.gz FHPNEIWZXDLAGM-UHFFFAOYSA-N -1 3 299.798 3.209 20 0 CGADHM O=C(NCc1ccc([O-])c(F)c1)c1cncc2ccccc21 ZINC000133040084 346075236 /nfs/dbraw/zinc/07/52/36/346075236.db2.gz XRWPODODCTWQLI-UHFFFAOYSA-N -1 3 296.301 3.010 20 0 CGADHM C[C@H](CC(=O)NCc1ccc([O-])c(F)c1)c1ccccc1 ZINC000133087733 346075613 /nfs/dbraw/zinc/07/56/13/346075613.db2.gz AZAVSYBZONDZDN-GFCCVEGCSA-N -1 3 287.334 3.341 20 0 CGADHM C[C@@H](c1ccc(C(=O)[O-])o1)N1CC[C@@H](C)[C@H](C)C1 ZINC000253067689 346393096 /nfs/dbraw/zinc/39/30/96/346393096.db2.gz KEUSYELHIGBYFH-MXWKQRLJSA-N -1 3 251.326 3.017 20 0 CGADHM C[C@@H](C(=O)Nc1cccc([O-])c1F)c1ccccc1F ZINC000128414451 187368758 /nfs/dbraw/zinc/36/87/58/187368758.db2.gz SFYWDRHXJCNBCS-SECBINFHSA-N -1 3 277.270 3.413 20 0 CGADHM Cc1csc(CNC(=O)c2cc(C)ccc2[O-])c1 ZINC000393518105 346575768 /nfs/dbraw/zinc/57/57/68/346575768.db2.gz QZMONMVUNJQIKN-UHFFFAOYSA-N -1 3 261.346 3.001 20 0 CGADHM C[C@H]1CC[C@]2(CCN(Cc3csc(C(=O)[O-])c3)C2)C1 ZINC000584637914 346701570 /nfs/dbraw/zinc/70/15/70/346701570.db2.gz FXHGYNYRRZCRAH-NHYWBVRUSA-N -1 3 279.405 3.458 20 0 CGADHM CCc1cc(C(=O)N[C@@H]2CCCC[C@H]2SC)ccc1[O-] ZINC000593784765 347116148 /nfs/dbraw/zinc/11/61/48/347116148.db2.gz BGCJZKFEUJELPJ-UKRRQHHQSA-N -1 3 293.432 3.359 20 0 CGADHM CC(C)CSCCCOc1ccc2c([O-])coc2c1 ZINC000596312556 347415403 /nfs/dbraw/zinc/41/54/03/347415403.db2.gz WCJKOUKFZCJUBN-UHFFFAOYSA-N -1 3 280.389 3.420 20 0 CGADHM CCS[C@H]1CCCCN(C(=O)c2c(C)cccc2[O-])C1 ZINC000599447285 347745344 /nfs/dbraw/zinc/74/53/44/347745344.db2.gz ARHRMNLOZOZTSO-ZDUSSCGKSA-N -1 3 293.432 3.448 20 0 CGADHM C[S@@](=O)c1ccc(NCc2c(F)ccc([O-])c2F)cc1 ZINC000351875055 219233478 /nfs/dbraw/zinc/23/34/78/219233478.db2.gz KQMYMGJKCRAOSE-HXUWFJFHSA-N -1 3 297.326 3.020 20 0 CGADHM C[C@]1(CNCc2cccc([O-])c2Cl)CCO[C@H]1C1CC1 ZINC000339364398 215123568 /nfs/dbraw/zinc/12/35/68/215123568.db2.gz UNMBGZVJBABPBF-JKSUJKDBSA-N -1 3 295.810 3.340 20 0 CGADHM CCN(Cc1ccc(Cl)cc1Cl)[C@@H](C)C(=O)[O-] ZINC000604773256 348133408 /nfs/dbraw/zinc/13/34/08/348133408.db2.gz UBVDBWFUNCGUHY-QMMMGPOBSA-N -1 3 276.163 3.288 20 0 CGADHM CCCn1c(=O)[n-]nc1S[C@@H]1CCC[C@@H](C)C1 ZINC000605076078 348146232 /nfs/dbraw/zinc/14/62/32/348146232.db2.gz IHKAIVSZOLKLRZ-NXEZZACHSA-N -1 3 255.387 3.065 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000612754539 348544297 /nfs/dbraw/zinc/54/42/97/348544297.db2.gz OQTUSMBOZDPJJT-IEBDPFPHSA-N -1 3 265.740 3.420 20 0 CGADHM CC1(C)CC[C@H]1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000613028485 348560265 /nfs/dbraw/zinc/56/02/65/348560265.db2.gz PULNGSXQHXIZAL-VIFPVBQESA-N -1 3 253.729 3.420 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)[C@@]23C[C@@H]2COC3(C)C)c1[O-] ZINC000613036202 348561413 /nfs/dbraw/zinc/56/14/13/348561413.db2.gz RDMCHPJAEZEUIS-RFAUZJTJSA-N -1 3 295.766 3.108 20 0 CGADHM CSc1ccc([O-])c(C(=O)N2CC[C@H](C)[C@@H](C)C2)c1 ZINC000613157416 348569298 /nfs/dbraw/zinc/56/92/98/348569298.db2.gz BRYIMMYNDBEPIZ-QWRGUYRKSA-N -1 3 279.405 3.232 20 0 CGADHM CC(C)(C)c1ccc(NC(=O)c2cnc3n2CCC3)c([O-])c1 ZINC000614488081 348680467 /nfs/dbraw/zinc/68/04/67/348680467.db2.gz IXCPKSXWAZHWIL-UHFFFAOYSA-N -1 3 299.374 3.085 20 0 CGADHM CSc1ccc([O-])c(C(=O)N2C[C@@H]3CCCC[C@@H]3C2)c1 ZINC000615844111 348769296 /nfs/dbraw/zinc/76/92/96/348769296.db2.gz VKUMHUOHNKKSBC-TXEJJXNPSA-N -1 3 291.416 3.376 20 0 CGADHM C[C@H]1CCC[C@@]1(C)C(=O)NCc1ccc([O-])c2ncccc12 ZINC000616024196 348782697 /nfs/dbraw/zinc/78/26/97/348782697.db2.gz ZIWBZYGVXVPJLM-KPZWWZAWSA-N -1 3 298.386 3.383 20 0 CGADHM CCC(C)(C)OCCNC(=O)c1cc(SC)ccc1[O-] ZINC000616199931 348797478 /nfs/dbraw/zinc/79/74/78/348797478.db2.gz KAHYLDWQRWLSEU-UHFFFAOYSA-N -1 3 297.420 3.049 20 0 CGADHM CCC[C@H](C(=O)Nc1nc(C)ccc1[O-])c1ccccn1 ZINC000339516321 215224290 /nfs/dbraw/zinc/22/42/90/215224290.db2.gz HTYVYLZAKMRFMH-LBPRGKRZSA-N -1 3 285.347 3.013 20 0 CGADHM [O-]c1cc(F)cc(CN2CC[C@H]2Cc2ccccc2)c1 ZINC000351998245 219281259 /nfs/dbraw/zinc/28/12/59/219281259.db2.gz YVVGNXDWUZUAPG-INIZCTEOSA-N -1 3 271.335 3.348 20 0 CGADHM CCO[C@@H](CC(=O)Nc1ccc([O-])cc1Cl)C(C)C ZINC000616940906 348884992 /nfs/dbraw/zinc/88/49/92/348884992.db2.gz JUUUGKDJQKZJGS-ZDUSSCGKSA-N -1 3 285.771 3.435 20 0 CGADHM Cc1cccn2c(C=Cc3cc(=O)[n-]c(C4CC4)n3)cnc12 ZINC000352007916 219285435 /nfs/dbraw/zinc/28/54/35/219285435.db2.gz MRMSHILOWFEXET-SREVYHEPSA-N -1 3 292.342 3.186 20 0 CGADHM Cc1cc(C)c(-c2cc(=NC(=O)C(C)C)[nH][n-]2)cc1C ZINC000617357222 348951901 /nfs/dbraw/zinc/95/19/01/348951901.db2.gz BAKZUFGUOXNBFD-UHFFFAOYSA-N -1 3 271.364 3.018 20 0 CGADHM O=C(c1csc(=O)[n-]1)N1CCCC2(CCCC2)CC1 ZINC000617563215 348969500 /nfs/dbraw/zinc/96/95/00/348969500.db2.gz JWORFFVENROTRS-UHFFFAOYSA-N -1 3 280.393 3.035 20 0 CGADHM CCC(C)(C)[C@H](C)NC(=O)Cc1ccc([O-])c(F)c1 ZINC000617567257 348970783 /nfs/dbraw/zinc/97/07/83/348970783.db2.gz FTEFTXSOXSNEKQ-JTQLQIEISA-N -1 3 267.344 3.015 20 0 CGADHM CCc1ccc(C(=O)NCC[C@]2(C)CC2(F)F)c([O-])c1 ZINC000618635126 349132050 /nfs/dbraw/zinc/13/20/50/349132050.db2.gz ITMRHMYYLVAVOV-CQSZACIVSA-N -1 3 283.318 3.120 20 0 CGADHM CCc1cc(C(=O)N[C@H]2CCc3ccc(O)cc32)ccc1[O-] ZINC000618979377 349190869 /nfs/dbraw/zinc/19/08/69/349190869.db2.gz UFYGUEDAUITLME-INIZCTEOSA-N -1 3 297.354 3.078 20 0 CGADHM CC[C@@H](NC(=O)c1cc(SC)ccc1[O-])C1CC1 ZINC000618861430 349165713 /nfs/dbraw/zinc/16/57/13/349165713.db2.gz YGOPYHOWMLELOR-GFCCVEGCSA-N -1 3 265.378 3.033 20 0 CGADHM O=C(NC1CCC2(CC2(F)F)CC1)c1ccccc1[O-] ZINC000619234396 349225234 /nfs/dbraw/zinc/22/52/34/349225234.db2.gz QNJPUDHKOWQVQY-UHFFFAOYSA-N -1 3 281.302 3.090 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2cnc(-c3ccncc3)s2)n1 ZINC000352034594 219297175 /nfs/dbraw/zinc/29/71/75/219297175.db2.gz DZFYDUBXROHKKM-NSCUHMNNSA-N -1 3 296.355 3.180 20 0 CGADHM C[C@@H](NC(=O)c1ccccc1[O-])C1CCC(F)CC1 ZINC000619961271 349298776 /nfs/dbraw/zinc/29/87/76/349298776.db2.gz AGXKWCRZBJTJIO-VOMCLLRMSA-N -1 3 265.328 3.039 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2nc3c(s2)C[C@@H](C)CC3)n1 ZINC000352039974 219299932 /nfs/dbraw/zinc/29/99/32/219299932.db2.gz LRVGZRKCYQWNLM-CYNONHLPSA-N -1 3 287.388 3.242 20 0 CGADHM Cc1cccc([O-])c1C(=O)N(Cc1ccco1)C(C)C ZINC000624780916 350104109 /nfs/dbraw/zinc/10/41/09/350104109.db2.gz FGJZGJVYDYLCCG-UHFFFAOYSA-N -1 3 273.332 3.344 20 0 CGADHM Cc1cccc([O-])c1C(=O)N(C(C)C)C1CCCC1 ZINC000625253128 350146951 /nfs/dbraw/zinc/14/69/51/350146951.db2.gz MPULFQFCWBHBDH-UHFFFAOYSA-N -1 3 261.365 3.494 20 0 CGADHM CCOC[C@@H]1CCCN(Cc2cc([O-])ccc2Cl)C1 ZINC000625172485 350136295 /nfs/dbraw/zinc/13/62/95/350136295.db2.gz PQZOGUWDKVDRSP-GFCCVEGCSA-N -1 3 283.799 3.294 20 0 CGADHM CCC[C@H](NC(=O)c1c(C)cccc1[O-])c1ccccn1 ZINC000625264645 350150145 /nfs/dbraw/zinc/15/01/45/350150145.db2.gz JYRIDVXTFOVVEF-AWEZNQCLSA-N -1 3 284.359 3.367 20 0 CGADHM [O-]c1ccc(F)c(CNCc2cccc(F)c2)c1F ZINC000352072272 219311204 /nfs/dbraw/zinc/31/12/04/219311204.db2.gz TXRKZZLDUKYHPJ-UHFFFAOYSA-N -1 3 267.250 3.099 20 0 CGADHM [O-]c1ccc(Cl)c(CN2CC[C@@H]2C(F)(F)F)c1 ZINC000625441603 350171661 /nfs/dbraw/zinc/17/16/61/350171661.db2.gz ZJYKMXNCXONOTC-SNVBAGLBSA-N -1 3 265.662 3.182 20 0 CGADHM CC(C)[C@]1(CO)CCCN(Cc2cc([O-])ccc2Cl)C1 ZINC000625452578 350174573 /nfs/dbraw/zinc/17/45/73/350174573.db2.gz XOMXUCJXCSKXDF-MRXNPFEDSA-N -1 3 297.826 3.276 20 0 CGADHM CCO[C@H]1CCN(Cc2cc([O-])ccc2Cl)C[C@@H]1C ZINC000625459584 350175080 /nfs/dbraw/zinc/17/50/80/350175080.db2.gz YKPHCMDFRXKLSY-NHYWBVRUSA-N -1 3 283.799 3.293 20 0 CGADHM CCCN(CCc1ccccn1)C(=O)c1ccc(C)cc1[O-] ZINC000271296378 191056531 /nfs/dbraw/zinc/05/65/31/191056531.db2.gz QBVDDZJTCQPQDY-UHFFFAOYSA-N -1 3 298.386 3.191 20 0 CGADHM C[C@@H]1CN(Cc2ccc(C(=O)[O-])cc2)C[C@H](C)C1(F)F ZINC000625971084 350237996 /nfs/dbraw/zinc/23/79/96/350237996.db2.gz KIYSHNMVUWSOLF-PHIMTYICSA-N -1 3 283.318 3.108 20 0 CGADHM C/C=C/C[C@@H]1CCCN(Cc2cc(C(=O)[O-])c(C)o2)C1 ZINC000625971630 350238102 /nfs/dbraw/zinc/23/81/02/350238102.db2.gz NEAIQOACAVPIHX-ITDFMYJTSA-N -1 3 277.364 3.464 20 0 CGADHM C/C=C/C[C@H]1CCCN(Cc2ccc(C(=O)[O-])o2)C1 ZINC000625971719 350238143 /nfs/dbraw/zinc/23/81/43/350238143.db2.gz WIGPPJFAZOFHEL-JDGPPOGSSA-N -1 3 263.337 3.156 20 0 CGADHM C/C=C/C[C@@H]1CCCN([C@H](C)c2nc(C)cc(=O)[n-]2)C1 ZINC000626163025 350273695 /nfs/dbraw/zinc/27/36/95/350273695.db2.gz CVKRJNSACSCAAU-KOABKASLSA-N -1 3 275.396 3.230 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1C[C@H](C)[C@H]2CCCC[C@H]21 ZINC000626416971 350304186 /nfs/dbraw/zinc/30/41/86/350304186.db2.gz VVOQAJNMRPPRLJ-BFHYXJOUSA-N -1 3 273.376 3.351 20 0 CGADHM O=C(Nc1ncccc1[O-])[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000626423806 350304821 /nfs/dbraw/zinc/30/48/21/350304821.db2.gz QLOYWFAQFIYTKZ-ZIAGYGMSSA-N -1 3 282.343 3.310 20 0 CGADHM COc1ccc(NC(=O)C[C@H](C)c2ccco2)c([O-])c1 ZINC000626608472 350323146 /nfs/dbraw/zinc/32/31/46/350323146.db2.gz ZTJXEAUZOMWZLM-JTQLQIEISA-N -1 3 275.304 3.126 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1C[C@H](C(C)C)[C@H]1C(C)C ZINC000627641954 350372959 /nfs/dbraw/zinc/37/29/59/350372959.db2.gz ZFBOBPPLBYESJI-CZUORRHYSA-N -1 3 275.392 3.453 20 0 CGADHM Cc1cccc([O-])c1C(=O)N(C)C1CC(OC(C)(C)C)C1 ZINC000627795254 350382698 /nfs/dbraw/zinc/38/26/98/350382698.db2.gz OZJCVOVEBQRCQZ-UHFFFAOYSA-N -1 3 291.391 3.119 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)Sc2nc(C(C)C)c[nH]2)n1 ZINC000629220831 350670372 /nfs/dbraw/zinc/67/03/72/350670372.db2.gz JXABGJNHCUZXQP-VIFPVBQESA-N -1 3 278.381 3.190 20 0 CGADHM C[C@H]1CN(Cc2ccsc2C(=O)[O-])C[C@H](C)C1(F)F ZINC000629364243 350678193 /nfs/dbraw/zinc/67/81/93/350678193.db2.gz KIMDAPJHEHFDGR-IUCAKERBSA-N -1 3 289.347 3.169 20 0 CGADHM CCC[C@@H](C)CCCN1CCc2occc2[C@H]1C(=O)[O-] ZINC000629366511 350679572 /nfs/dbraw/zinc/67/95/72/350679572.db2.gz PXDYDHROOMEAHS-DOMZBBRYSA-N -1 3 279.380 3.480 20 0 CGADHM Cc1ccc(C(=O)N2C[C@@H]3CCCC[C@@]32C)c([O-])c1C ZINC000629617140 350719994 /nfs/dbraw/zinc/71/99/94/350719994.db2.gz RAWLZOPXRBBUJK-GUYCJALGSA-N -1 3 273.376 3.414 20 0 CGADHM C/C=C/C[C@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC000629875579 350782889 /nfs/dbraw/zinc/78/28/89/350782889.db2.gz CSEGIQPKIZWXPD-IBUXWKBASA-N -1 3 259.349 3.211 20 0 CGADHM Cc1nc2c(cccc2[N-]C(=O)c2cc(C3CC3)no2)o1 ZINC000633347609 351281869 /nfs/dbraw/zinc/28/18/69/351281869.db2.gz XRZPTENPGAROGQ-UHFFFAOYSA-N -1 3 283.287 3.254 20 0 CGADHM CC[C@@H](CC(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1)C(C)(C)C ZINC000633602896 351330052 /nfs/dbraw/zinc/33/00/52/351330052.db2.gz PJPJLXCQMGAIED-WCQYABFASA-N -1 3 293.411 3.084 20 0 CGADHM CCc1ccc(C(=O)N2CCC(CCF)CC2)c([O-])c1 ZINC000633963845 351406352 /nfs/dbraw/zinc/40/63/52/351406352.db2.gz ZCGSFKIJFARMQD-UHFFFAOYSA-N -1 3 279.355 3.166 20 0 CGADHM CC(C)c1cc([N-]C(=O)Cn2ccc3ccccc32)on1 ZINC000633905991 351396072 /nfs/dbraw/zinc/39/60/72/351396072.db2.gz HVHATNFJEQVCCQ-UHFFFAOYSA-N -1 3 283.331 3.391 20 0 CGADHM O=C(c1ccccc1[O-])N1CCC2(CCSCC2)CC1 ZINC000633938515 351399348 /nfs/dbraw/zinc/39/93/48/351399348.db2.gz XCRFFPOOXAXZQT-UHFFFAOYSA-N -1 3 291.416 3.142 20 0 CGADHM CCc1noc(C)c1COc1cc2occ([O-])c2c(C)c1 ZINC000634561171 351514086 /nfs/dbraw/zinc/51/40/86/351514086.db2.gz PDGNZKDHJOZNCL-UHFFFAOYSA-N -1 3 287.315 3.008 20 0 CGADHM CO[C@H](COc1ccc2c([O-])coc2c1C)c1ccccc1 ZINC000634560321 351514489 /nfs/dbraw/zinc/51/44/89/351514489.db2.gz DPYBZGQKUTXICX-QGZVFWFLSA-N -1 3 298.338 3.337 20 0 CGADHM CCc1cc(C(=O)NCc2cccc(COC)c2)ccc1[O-] ZINC000291423772 198018337 /nfs/dbraw/zinc/01/83/37/198018337.db2.gz HCMGEDHCUHZHIZ-UHFFFAOYSA-N -1 3 299.370 3.031 20 0 CGADHM C[C@H]1CCc2[n-]n(Cc3ccc(C(F)(F)F)cc3)c(=O)c21 ZINC000634590512 351528030 /nfs/dbraw/zinc/52/80/30/351528030.db2.gz BKVNFSRRBDJGJP-TVQRCGJNSA-N -1 3 296.292 3.450 20 0 CGADHM CCc1[n-]n(CC(F)(F)C(F)(F)F)c(=O)c1C(C)C ZINC000634604420 351538710 /nfs/dbraw/zinc/53/87/10/351538710.db2.gz FVAHYEYIANDVJM-QMMMGPOBSA-N -1 3 286.244 3.064 20 0 CGADHM Cc1cc([N-]S(=O)(=O)[C@@H]2C[C@H]2c2ccccc2)cs1 ZINC000634797740 351587550 /nfs/dbraw/zinc/58/75/50/351587550.db2.gz UCPAIEUVPKFGID-UONOGXRCSA-N -1 3 293.413 3.354 20 0 CGADHM CCc1cc(C(=O)N[C@@H](COC)c2ccccc2)ccc1[O-] ZINC000291596679 198046339 /nfs/dbraw/zinc/04/63/39/198046339.db2.gz WVZGGJYYZCYRSV-INIZCTEOSA-N -1 3 299.370 3.072 20 0 CGADHM CCCCn1ncc(C(=O)Nc2ccc([O-])cc2F)c1C ZINC000124448458 535166444 /nfs/dbraw/zinc/16/64/44/535166444.db2.gz GIYCIJDWGQSCLO-UHFFFAOYSA-N -1 3 291.326 3.089 20 0 CGADHM CC(C)Sc1ccccc1[N-]C(=O)c1cnsn1 ZINC000122105788 187015476 /nfs/dbraw/zinc/01/54/76/187015476.db2.gz PECJSTHRVFDPGW-UHFFFAOYSA-N -1 3 279.390 3.291 20 0 CGADHM Cc1cccc(C(=O)N2CCC[C@H]2c2ccc[nH]2)c1[O-] ZINC000123490295 187095211 /nfs/dbraw/zinc/09/52/11/187095211.db2.gz MOCOTINYOKAVET-AWEZNQCLSA-N -1 3 270.332 3.006 20 0 CGADHM CC(C)CO[N-]C(=O)Nc1cccc(-c2ncco2)c1 ZINC000152296825 188008020 /nfs/dbraw/zinc/00/80/20/188008020.db2.gz JAUIYKNKGMBFAL-UHFFFAOYSA-N -1 3 275.308 3.051 20 0 CGADHM CC[C@@H](SC)C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000153479854 188084698 /nfs/dbraw/zinc/08/46/98/188084698.db2.gz RDYPICSYYXSBJF-SNVBAGLBSA-N -1 3 273.785 3.434 20 0 CGADHM CS[C@@H]1CCCCN(C(=O)c2cccc(C)c2[O-])C1 ZINC000154258836 188131949 /nfs/dbraw/zinc/13/19/49/188131949.db2.gz NWMOZNQTTOBXDA-GFCCVEGCSA-N -1 3 279.405 3.058 20 0 CGADHM O=C(Nc1ccc([C@@H]2CCOC2)cc1)c1cccc([O-])c1 ZINC000336438837 213302635 /nfs/dbraw/zinc/30/26/35/213302635.db2.gz CLDSTQRIFHDCDM-CQSZACIVSA-N -1 3 283.327 3.148 20 0 CGADHM O=C([N-]OCC1CC1)Nc1cccc(-c2nccs2)c1 ZINC000292679045 198372494 /nfs/dbraw/zinc/37/24/94/198372494.db2.gz RAJGLRQIVSHDFA-UHFFFAOYSA-N -1 3 289.360 3.273 20 0 CGADHM Cc1ccccc1-c1cc(=NC(=O)[C@H](C)CC(F)F)[nH][n-]1 ZINC000411761337 235078823 /nfs/dbraw/zinc/07/88/23/235078823.db2.gz URXSAJBEFWLREZ-SNVBAGLBSA-N -1 3 293.317 3.037 20 0 CGADHM CCCOc1ccccc1NC([O-])=NOC1CCCC1 ZINC000271856889 191371340 /nfs/dbraw/zinc/37/13/40/191371340.db2.gz XWLINEWRMJZKQU-UHFFFAOYSA-N -1 3 278.352 3.471 20 0 CGADHM CCCOc1ccccc1NC(=O)[N-]OC1CCCC1 ZINC000271856889 191371343 /nfs/dbraw/zinc/37/13/43/191371343.db2.gz XWLINEWRMJZKQU-UHFFFAOYSA-N -1 3 278.352 3.471 20 0 CGADHM CC(C)(C)c1cc(C(=O)Nc2ccc([O-])cc2F)no1 ZINC000124312579 138374326 /nfs/dbraw/zinc/37/43/26/138374326.db2.gz QBUFGQNKPAFMMY-UHFFFAOYSA-N -1 3 278.283 3.069 20 0 CGADHM C[C@@H]1CC[C@H](CC(=O)Nc2ccc([O-])cc2F)C1 ZINC000124265195 138374097 /nfs/dbraw/zinc/37/40/97/138374097.db2.gz VSXSNLCAIRCYRZ-ZJUUUORDSA-N -1 3 251.301 3.296 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2ccc(C(C)(C)C)cn2)n1 ZINC000421891921 235885351 /nfs/dbraw/zinc/88/53/51/235885351.db2.gz KYBGAVGMNMXTQF-UHFFFAOYSA-N -1 3 285.347 3.040 20 0 CGADHM C[C@@H](c1cccnc1)N(C)C(=O)c1cc([O-])ccc1Cl ZINC000336260185 213097548 /nfs/dbraw/zinc/09/75/48/213097548.db2.gz GWQLFQIUTQEMQP-JTQLQIEISA-N -1 3 290.750 3.274 20 0 CGADHM Cc1ccc([C@@H](NCc2cccc3cc[nH]c32)C(=O)[O-])cc1 ZINC000426682754 236306090 /nfs/dbraw/zinc/30/60/90/236306090.db2.gz LOBWRUDCJQFOFE-QGZVFWFLSA-N -1 3 294.354 3.392 20 0 CGADHM Cc1ccc([C@H](NCc2ccc(F)c(C)c2)C(=O)[O-])cc1 ZINC000426715017 236307738 /nfs/dbraw/zinc/30/77/38/236307738.db2.gz PHVXMBIDRQTRGU-INIZCTEOSA-N -1 3 287.334 3.358 20 0 CGADHM COc1ccc([C@@H](CCC(=O)[O-])NCc2ccccc2)cc1 ZINC000426756601 236312270 /nfs/dbraw/zinc/31/22/70/236312270.db2.gz LIEALDNLCWEQLS-QGZVFWFLSA-N -1 3 299.370 3.391 20 0 CGADHM CCOC1CC2(C1)CCN(Cc1c(F)ccc([O-])c1F)C2 ZINC000294636537 199117100 /nfs/dbraw/zinc/11/71/00/199117100.db2.gz KABKYAJSTGDTQR-UHFFFAOYSA-N -1 3 297.345 3.061 20 0 CGADHM CSC1(CNCc2c(F)ccc([O-])c2F)CCC1 ZINC000294681324 199131874 /nfs/dbraw/zinc/13/18/74/199131874.db2.gz MXRBPRPJNUYTCU-UHFFFAOYSA-N -1 3 273.348 3.046 20 0 CGADHM C[C@H](O)C[C@H]1CCCCN1Cc1cccc([O-])c1Cl ZINC000294751707 199165424 /nfs/dbraw/zinc/16/54/24/199165424.db2.gz RLFZQMKMOCRPPZ-WCQYABFASA-N -1 3 283.799 3.171 20 0 CGADHM CC(C)n1nccc1C=Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000329233252 202244970 /nfs/dbraw/zinc/24/49/70/202244970.db2.gz GSPOBONUHAHMKQ-AATRIKPKSA-N -1 3 270.336 3.007 20 0 CGADHM O=C(NC1(c2ccccc2)CCCC1)c1ccc(O)cc1[O-] ZINC000436669503 237156413 /nfs/dbraw/zinc/15/64/13/237156413.db2.gz MJQGFGMOFZVLSR-UHFFFAOYSA-N -1 3 297.354 3.297 20 0 CGADHM Cc1ccc(C(=O)N[C@@H]2CCCC(F)(F)C2)c([O-])c1C ZINC000436602498 237140451 /nfs/dbraw/zinc/14/04/51/237140451.db2.gz KFBXVHCWSNLAHZ-LLVKDONJSA-N -1 3 283.318 3.317 20 0 CGADHM Cc1ccccc1C(C)(C)NC(=O)c1ccc(O)cc1[O-] ZINC000436597414 237140468 /nfs/dbraw/zinc/14/04/68/237140468.db2.gz PVEMKUCCDPZMAY-UHFFFAOYSA-N -1 3 285.343 3.071 20 0 CGADHM Cc1cc(C(=O)N2C[C@H](C)[C@H]3CCCC[C@H]32)ccc1[O-] ZINC000436740844 237170313 /nfs/dbraw/zinc/17/03/13/237170313.db2.gz RPFAFTDBOYLSPT-NWANDNLSSA-N -1 3 273.376 3.351 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2c3c(nn2C(C)C)CCC3)c1 ZINC000436857466 237197071 /nfs/dbraw/zinc/19/70/71/237197071.db2.gz PXQYSUHZNGARKY-UHFFFAOYSA-N -1 3 299.374 3.219 20 0 CGADHM COc1cc(-c2noc(C3=CCCC3)n2)ccc1[O-] ZINC000436864309 237198034 /nfs/dbraw/zinc/19/80/34/237198034.db2.gz NKYVGKBSRIDALK-UHFFFAOYSA-N -1 3 258.277 3.018 20 0 CGADHM Cc1ccc(Cc2noc(-c3ccc(C)c(C)c3[O-])n2)cn1 ZINC000436906185 237209309 /nfs/dbraw/zinc/20/93/09/237209309.db2.gz CMCKXQZTVUEQOX-UHFFFAOYSA-N -1 3 295.342 3.353 20 0 CGADHM Cc1ccc(C(=O)N[C@@H]2C[C@@H]2Cc2ccccc2)c([O-])c1 ZINC000436937443 237216330 /nfs/dbraw/zinc/21/63/30/237216330.db2.gz INJRTDWOKNDWGL-GOEBONIOSA-N -1 3 281.355 3.062 20 0 CGADHM COC1CCC(CCNC(=O)c2ccc(C)cc2[O-])CC1 ZINC000436937875 237217389 /nfs/dbraw/zinc/21/73/89/237217389.db2.gz GURKTCWOWGGESA-UHFFFAOYSA-N -1 3 291.391 3.026 20 0 CGADHM CCc1cc(C(=O)N[C@@H]2CCCc3occc32)ccc1[O-] ZINC000341653877 216052555 /nfs/dbraw/zinc/05/25/55/216052555.db2.gz FMQXRLAZJVOKIM-CQSZACIVSA-N -1 3 285.343 3.355 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)Nc1ccc([C@H]2CCOC2)cc1 ZINC000297582966 200233619 /nfs/dbraw/zinc/23/36/19/200233619.db2.gz YTTVYSBLTYVZTM-OCCSQVGLSA-N -1 3 292.379 3.290 20 0 CGADHM O=C(Nc1ncccc1[O-])c1cccc(-c2cscn2)c1 ZINC000341888901 216138639 /nfs/dbraw/zinc/13/86/39/216138639.db2.gz NXPXEJJLHMSMCN-UHFFFAOYSA-N -1 3 297.339 3.163 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCCc3sccc32)o1 ZINC000335881138 212651318 /nfs/dbraw/zinc/65/13/18/212651318.db2.gz HBMGEPBAIBKHTQ-NSHDSACASA-N -1 3 297.401 3.005 20 0 CGADHM CC(C)Cc1csc2[n-]c([C@H]3CCCO3)nc(=O)c12 ZINC000178984262 189159286 /nfs/dbraw/zinc/15/92/86/189159286.db2.gz UZEZWMHDDXKQBU-SNVBAGLBSA-N -1 3 278.377 3.035 20 0 CGADHM O=C(Nc1ccc(Cl)cc1[O-])[C@@H]1CC1(Cl)Cl ZINC000179641777 189209947 /nfs/dbraw/zinc/20/99/47/189209947.db2.gz NIHLZIBOGKIZRD-LURJTMIESA-N -1 3 280.538 3.178 20 0 CGADHM CCn1c(C)cc(C(=O)Nc2ccc(C)cc2[O-])c1C ZINC000119483386 370680118 /nfs/dbraw/zinc/68/01/18/370680118.db2.gz LYOBOYBDFCTCSM-UHFFFAOYSA-N -1 3 272.348 3.391 20 0 CGADHM CCO[N-]C(=O)Nc1ccc(COC2CCCC2)cc1 ZINC000182993277 189341612 /nfs/dbraw/zinc/34/16/12/189341612.db2.gz CTNAJPQXESEWSP-UHFFFAOYSA-N -1 3 278.352 3.219 20 0 CGADHM Cc1c(C(=O)Nc2c(C)cccc2[O-])cnn1C(C)(C)C ZINC000183048116 189343723 /nfs/dbraw/zinc/34/37/23/189343723.db2.gz MMSCPIQZKDQYAY-UHFFFAOYSA-N -1 3 287.363 3.213 20 0 CGADHM O=[S@](CCCOCc1ccccc1)c1ccc([O-])cc1 ZINC000184022447 189374555 /nfs/dbraw/zinc/37/45/55/189374555.db2.gz SIJOSVBTLYCXRI-HXUWFJFHSA-N -1 3 290.384 3.107 20 0 CGADHM COc1cccc(Cl)c1CNCc1ccc([O-])c(F)c1 ZINC000120471155 370769873 /nfs/dbraw/zinc/76/98/73/370769873.db2.gz IIUZRGGPAVENPF-UHFFFAOYSA-N -1 3 295.741 3.483 20 0 CGADHM C[C@H](c1ccccc1)N(C(=O)c1csc(=O)[n-]1)C1CC1 ZINC000342688737 216475600 /nfs/dbraw/zinc/47/56/00/216475600.db2.gz HINOCWZVJHSHNB-SNVBAGLBSA-N -1 3 288.372 3.215 20 0 CGADHM Cc1cc(=O)[n-]c([C@@H](C)N2CC3(CCC3)[C@H]2c2ccco2)n1 ZINC000451853500 240370159 /nfs/dbraw/zinc/37/01/59/240370159.db2.gz LOYNQEVCYZAVEF-IUODEOHRSA-N -1 3 299.374 3.372 20 0 CGADHM O=C(NC1CCC1)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000275349797 193007573 /nfs/dbraw/zinc/00/75/73/193007573.db2.gz SBJGYIYIWSPJMW-UHFFFAOYSA-N -1 3 281.768 3.074 20 0 CGADHM Cc1cccc(C(=O)N2C[C@@H](C(C)C)[C@@H]2C(C)C)c1[O-] ZINC000456292102 241393694 /nfs/dbraw/zinc/39/36/94/241393694.db2.gz OMRUWYKSAYAAAM-GJZGRUSLSA-N -1 3 275.392 3.453 20 0 CGADHM O=C(NC1(Cc2ccccc2)CCC1)c1cccc([O-])c1 ZINC000357400472 283910819 /nfs/dbraw/zinc/91/08/19/283910819.db2.gz BRXWPGWLRVWNTK-UHFFFAOYSA-N -1 3 281.355 3.287 20 0 CGADHM CCc1cc(=O)[n-]c(CN2C[C@@H](c3ccccc3)C[C@@H]2C)n1 ZINC000121097823 370829458 /nfs/dbraw/zinc/82/94/58/370829458.db2.gz OXEIRTFTENEKQP-ZFWWWQNUSA-N -1 3 297.402 3.123 20 0 CGADHM Cc1cccc(CN(C)Cc2cc(=O)[n-]c(C3CC3)n2)c1C ZINC000459491488 242124455 /nfs/dbraw/zinc/12/44/55/242124455.db2.gz MICFVSPQUSPLJD-UHFFFAOYSA-N -1 3 297.402 3.308 20 0 CGADHM C[C@H]1CN(Cc2cc(=O)[n-]c(C3CC3)n2)[C@H]1c1ccccc1 ZINC000459364498 242091043 /nfs/dbraw/zinc/09/10/43/242091043.db2.gz SLRSKMFQXGEHDQ-YVEFUNNKSA-N -1 3 295.386 3.253 20 0 CGADHM CN(Cc1c(F)ccc([O-])c1F)C1CC(C)(C)C1 ZINC000459730499 242197705 /nfs/dbraw/zinc/19/77/05/242197705.db2.gz KIRQBBXVIICQHS-UHFFFAOYSA-N -1 3 255.308 3.291 20 0 CGADHM C[C@@H]1[C@H](C(F)(F)F)CCN1Cc1c(F)ccc([O-])c1F ZINC000353256701 219991999 /nfs/dbraw/zinc/99/19/99/219991999.db2.gz IUHRNTCHLVZKCR-VXNVDRBHSA-N -1 3 295.251 3.443 20 0 CGADHM O=S(=O)([N-][C@@H]1C[C@@H]1C1CCCCC1)c1ccccc1F ZINC000462503475 242349331 /nfs/dbraw/zinc/34/93/31/242349331.db2.gz PUJKZRHIPOECAI-TZMCWYRMSA-N -1 3 297.395 3.073 20 0 CGADHM C[C@H]1[C@@H](C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)C1(F)F ZINC000461451211 242307320 /nfs/dbraw/zinc/30/73/20/242307320.db2.gz COIURTPHQAYGJO-CDUCUWFYSA-N -1 3 295.207 3.251 20 0 CGADHM C[C@H]1C(=O)CC[C@@H](C(=O)Nc2cc(F)ccc2[O-])C1(C)C ZINC000275910510 193160612 /nfs/dbraw/zinc/16/06/12/193160612.db2.gz DNCRFYKLSZLUMO-ONGXEEELSA-N -1 3 293.338 3.111 20 0 CGADHM C[C@@H]1C[C@H](C)[C@H](C)N(C(=O)Cc2ccc([O-])cc2Cl)C1 ZINC000476545123 243016482 /nfs/dbraw/zinc/01/64/82/243016482.db2.gz LQXNHXBMLHOQMS-WOPDTQHZSA-N -1 3 295.810 3.481 20 0 CGADHM Cc1cc(C(=O)NCC(F)(F)c2ccccc2)ccc1[O-] ZINC000476692254 243019648 /nfs/dbraw/zinc/01/96/48/243019648.db2.gz OFMDXTDSAQQMMN-UHFFFAOYSA-N -1 3 291.297 3.222 20 0 CGADHM Cc1[nH]nc(-c2ccccc2)c1NC(=O)c1cccc([O-])c1 ZINC000487093735 243397315 /nfs/dbraw/zinc/39/73/15/243397315.db2.gz ZDETWYKRFWADNR-UHFFFAOYSA-N -1 3 293.326 3.343 20 0 CGADHM Cc1ccc(NC(=O)c2ccc3n[n-]nc3c2)cc1Cl ZINC000011427130 368590584 /nfs/dbraw/zinc/59/05/84/368590584.db2.gz SGXOOEPPNOTMQU-UHFFFAOYSA-N -1 3 286.722 3.172 20 0 CGADHM CC(=O)c1ccc(C(=O)[N-]c2nnc(C(C)C)s2)s1 ZINC000025324136 368844255 /nfs/dbraw/zinc/84/42/55/368844255.db2.gz YDNVNBWWMXRXGW-UHFFFAOYSA-N -1 3 295.389 3.178 20 0 CGADHM CCCCCc1nnc([N-]C(=O)c2ccc(C)o2)s1 ZINC000028701312 368887988 /nfs/dbraw/zinc/88/79/88/368887988.db2.gz WXEGIVZZGKPGGO-UHFFFAOYSA-N -1 3 279.365 3.425 20 0 CGADHM Cc1ncsc1/C=C\C(=O)Nc1cc(Cl)ccc1[O-] ZINC000492692652 244007509 /nfs/dbraw/zinc/00/75/09/244007509.db2.gz VQSSTCPNXRNUHV-PLNGDYQASA-N -1 3 294.763 3.462 20 0 CGADHM Cc1cncc(/C=C/C(=O)Nc2c([O-])cccc2Cl)c1 ZINC000493010710 244075658 /nfs/dbraw/zinc/07/56/58/244075658.db2.gz YXKMPJKVVJOGQM-AATRIKPKSA-N -1 3 288.734 3.401 20 0 CGADHM CCN(Cc1cccs1)Cc1ccc(C(=O)[O-])cc1 ZINC000042317327 369213485 /nfs/dbraw/zinc/21/34/85/369213485.db2.gz CQSVJEYMKBOUFB-UHFFFAOYSA-N -1 3 275.373 3.468 20 0 CGADHM O=C(/C=C\c1nc2ccccc2s1)[N-]OC/C=C\Cl ZINC000493818368 244236878 /nfs/dbraw/zinc/23/68/78/244236878.db2.gz SQCRPBVJPUEZFM-XGECGVFOSA-N -1 3 294.763 3.110 20 0 CGADHM C[C@@H](C1CC1)n1cc(NCc2cc([O-])cc(F)c2)cn1 ZINC000494474814 244291809 /nfs/dbraw/zinc/29/18/09/244291809.db2.gz RVISSTZNIHBCPJ-JTQLQIEISA-N -1 3 275.327 3.311 20 0 CGADHM CO[N-]C(=O)Cc1coc2cc(C)c(C(C)C)cc12 ZINC000046562969 369295552 /nfs/dbraw/zinc/29/55/52/369295552.db2.gz JYTNYDQMVLJCSX-UHFFFAOYSA-N -1 3 261.321 3.085 20 0 CGADHM COc1cc(C(=O)N[C@@H]2CCc3cc(C)ccc32)ccc1[O-] ZINC000276240510 193254017 /nfs/dbraw/zinc/25/40/17/193254017.db2.gz UQXGZNZAXFFCFG-OAHLLOKOSA-N -1 3 297.354 3.127 20 0 CGADHM CCc1ccc([O-])c(C(=O)N[C@@H](C)c2cccc(OC)c2)c1 ZINC000500753805 244585176 /nfs/dbraw/zinc/58/51/76/244585176.db2.gz VPHFIHOOAOGZNK-LBPRGKRZSA-N -1 3 299.370 3.454 20 0 CGADHM CC(C)CCC[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000503964806 244702136 /nfs/dbraw/zinc/70/21/36/244702136.db2.gz VMQNTYATEJVQEJ-UHFFFAOYSA-N -1 3 293.791 3.194 20 0 CGADHM COc1ccc(/C=C/C(=O)Nc2ccccc2[O-])cc1OC ZINC000075285005 369900808 /nfs/dbraw/zinc/90/08/08/369900808.db2.gz GQYQXBIMYKWESP-CSKARUKUSA-N -1 3 299.326 3.061 20 0 CGADHM Cc1cc([N-]C(=O)c2cnc(-c3ccsc3)s2)no1 ZINC000112270015 370417678 /nfs/dbraw/zinc/41/76/78/370417678.db2.gz AYMJWPOKZDMONH-UHFFFAOYSA-N -1 3 291.357 3.420 20 0 CGADHM O=C(Nc1ccccc1[O-])c1coc2ccccc12 ZINC000113414263 370473022 /nfs/dbraw/zinc/47/30/22/370473022.db2.gz XXTPQDNPWVMHBR-UHFFFAOYSA-N -1 3 253.257 3.391 20 0 CGADHM COCCCCC(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000116979161 370576842 /nfs/dbraw/zinc/57/68/42/370576842.db2.gz JGUBKTSRZFUYQS-UHFFFAOYSA-N -1 3 271.744 3.109 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)Cc2cccc(O)c2)c1[O-] ZINC000116980545 370576933 /nfs/dbraw/zinc/57/69/33/370576933.db2.gz CHCNTMUTUUEEDF-UHFFFAOYSA-N -1 3 291.734 3.241 20 0 CGADHM CCc1ccc(C(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000132868639 371208722 /nfs/dbraw/zinc/20/87/22/371208722.db2.gz UAEAFSIGPJFGOO-UHFFFAOYSA-N -1 3 273.307 3.024 20 0 CGADHM O=C(Cc1ccc([O-])cc1Cl)N1Cc2ccccc2C1 ZINC000133367385 371246639 /nfs/dbraw/zinc/24/66/39/371246639.db2.gz XWCQIKKTSUKJHE-UHFFFAOYSA-N -1 3 287.746 3.131 20 0 CGADHM CCOCCC1(CNC(=O)c2ccccc2[O-])CCCC1 ZINC000133633991 371267509 /nfs/dbraw/zinc/26/75/09/371267509.db2.gz CSIXSZFIBKJPMY-UHFFFAOYSA-N -1 3 291.391 3.109 20 0 CGADHM CC(C)(C(=O)NCc1ccc([O-])c(F)c1)C1CCCC1 ZINC000133767940 371277082 /nfs/dbraw/zinc/27/70/82/371277082.db2.gz LGUVMAYSMLNSAL-UHFFFAOYSA-N -1 3 279.355 3.364 20 0 CGADHM C[C@H](CCC[C@H](C)NCc1c(F)cccc1F)C(=O)[O-] ZINC000133767740 371277872 /nfs/dbraw/zinc/27/78/72/371277872.db2.gz KOMIKFJVJPVQOC-MNOVXSKESA-N -1 3 285.334 3.334 20 0 CGADHM CSC[C@@H](C)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000134084423 371301800 /nfs/dbraw/zinc/30/18/00/371301800.db2.gz CJOFGTMIISRMDU-SSDOTTSWSA-N -1 3 293.310 3.349 20 0 CGADHM O=C(Cc1ccc([O-])cc1Cl)NCc1ccccc1F ZINC000136068873 371459681 /nfs/dbraw/zinc/45/96/81/371459681.db2.gz FNITXVYBPSXXIS-UHFFFAOYSA-N -1 3 293.725 3.044 20 0 CGADHM Cc1ccc(CNC(=O)Cc2ccc([O-])cc2Cl)s1 ZINC000136177006 371464734 /nfs/dbraw/zinc/46/47/34/371464734.db2.gz VYJKLOCQFXUMFW-UHFFFAOYSA-N -1 3 295.791 3.274 20 0 CGADHM CC[C@]1(C)C[C@H]1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000136306324 371473441 /nfs/dbraw/zinc/47/34/41/371473441.db2.gz WGCZLVQAMIUBMU-TVQRCGJNSA-N -1 3 253.729 3.420 20 0 CGADHM O=C(NCc1ccc([O-])c(F)c1)Nc1cc(F)cc(F)c1 ZINC000151756133 371633127 /nfs/dbraw/zinc/63/31/27/371633127.db2.gz CZZNGOCRBNTYKR-UHFFFAOYSA-N -1 3 296.248 3.131 20 0 CGADHM Cc1ccc(OCC(=O)Nc2ccc(Cl)cc2[O-])cc1 ZINC000153694391 371781603 /nfs/dbraw/zinc/78/16/03/371781603.db2.gz FEBWSFJBQWZCPR-UHFFFAOYSA-N -1 3 291.734 3.372 20 0 CGADHM C[C@@H](NCc1cc([O-])cc(C(F)(F)F)c1)C(F)(F)F ZINC000289789747 371822349 /nfs/dbraw/zinc/82/23/49/371822349.db2.gz JZWITOWLPQPMTM-ZCFIWIBFSA-N -1 3 287.203 3.451 20 0 CGADHM Cc1noc(C2CC2)c1[N-]C(=O)c1cc(F)cc(F)c1 ZINC000156569307 371984640 /nfs/dbraw/zinc/98/46/40/371984640.db2.gz WTBNQCHOFCKRMQ-UHFFFAOYSA-N -1 3 278.258 3.391 20 0 CGADHM CCc1cc(=O)[n-]c(CN2CC[C@@H](c3cccc(C)c3)C2)n1 ZINC000344185081 217088418 /nfs/dbraw/zinc/08/84/18/217088418.db2.gz BVLCEAPESJUCGH-OAHLLOKOSA-N -1 3 297.402 3.043 20 0 CGADHM Cc1ccc(SCC(=O)Nc2ncccc2[O-])c(C)c1 ZINC000344193474 217093321 /nfs/dbraw/zinc/09/33/21/217093321.db2.gz ZYEKWMCGKLNHOK-UHFFFAOYSA-N -1 3 288.372 3.135 20 0 CGADHM CCOC1CC(C(=O)N2CC[C@@H](C)c3cccc([O-])c32)C1 ZINC000291805246 372176425 /nfs/dbraw/zinc/17/64/25/372176425.db2.gz ZPWDZPZXOXKMAY-PNESKVBLSA-N -1 3 289.375 3.048 20 0 CGADHM CCCc1nc(C)c(C(=O)[N-]c2nnc(C(C)C)s2)o1 ZINC000292425718 372189907 /nfs/dbraw/zinc/18/99/07/372189907.db2.gz GAORFEFVKMMPGP-UHFFFAOYSA-N -1 3 294.380 3.163 20 0 CGADHM CCC(CC)(CNCc1cccc([O-])c1Cl)OC ZINC000292928759 372253141 /nfs/dbraw/zinc/25/31/41/372253141.db2.gz IUHAYPDQSGZWLY-UHFFFAOYSA-N -1 3 271.788 3.340 20 0 CGADHM CSc1cccc(F)c1C[N-]c1nnc(C(F)F)o1 ZINC000292964915 372263210 /nfs/dbraw/zinc/26/32/10/372263210.db2.gz GVYCTJHHQGSUDC-UHFFFAOYSA-N -1 3 289.282 3.480 20 0 CGADHM CO[C@@H]1CCCC[C@H]1c1nc(-c2ccc([O-])cc2)no1 ZINC000293148418 372312116 /nfs/dbraw/zinc/31/21/16/372312116.db2.gz KNLQQWRMKNOTDQ-CHWSQXEVSA-N -1 3 274.320 3.115 20 0 CGADHM Cc1ccc(-c2nc(CCC3CCOCC3)no2)c([O-])c1 ZINC000293184983 372321408 /nfs/dbraw/zinc/32/14/08/372321408.db2.gz NXWHNLVDJHDZBJ-UHFFFAOYSA-N -1 3 288.347 3.110 20 0 CGADHM Cc1nc(CCNCc2cccc([O-])c2Cl)sc1C ZINC000293516108 372399434 /nfs/dbraw/zinc/39/94/34/372399434.db2.gz IIXDYCXAPZJPBQ-UHFFFAOYSA-N -1 3 296.823 3.451 20 0 CGADHM Cc1cnc([C@H](C)CNCc2c(F)ccc([O-])c2F)s1 ZINC000293531986 372404429 /nfs/dbraw/zinc/40/44/29/372404429.db2.gz FAHZTGUUFZVFJD-MRVPVSSYSA-N -1 3 298.358 3.329 20 0 CGADHM O=C([N-]OCC1CC1)Nc1cccc(Oc2ccncc2)c1 ZINC000293358894 372364869 /nfs/dbraw/zinc/36/48/69/372364869.db2.gz ODXRTBGAUIBUBN-UHFFFAOYSA-N -1 3 299.330 3.337 20 0 CGADHM Cc1ccc([C@@H](O)CNCc2cccc([O-])c2Cl)cc1 ZINC000293363550 372366306 /nfs/dbraw/zinc/36/63/06/372366306.db2.gz USKOGDFFWXHKPA-HNNXBMFYSA-N -1 3 291.778 3.177 20 0 CGADHM C[C@@H](O)c1ccc(CNCc2cccc([O-])c2Cl)cc1 ZINC000293621232 372426949 /nfs/dbraw/zinc/42/69/49/372426949.db2.gz QHFGGWLESOAOLW-LLVKDONJSA-N -1 3 291.778 3.389 20 0 CGADHM [O-]c1cccc(CNC[C@H](O)C2CCCCC2)c1Cl ZINC000293678086 372448020 /nfs/dbraw/zinc/44/80/20/372448020.db2.gz VHJFCTMENMUUNU-AWEZNQCLSA-N -1 3 283.799 3.076 20 0 CGADHM O=C(NCc1ccc([O-])c(F)c1)N1CCC[C@@H]1C1CCC1 ZINC000163683628 372487668 /nfs/dbraw/zinc/48/76/68/372487668.db2.gz PIZQURGVCCHGOY-CQSZACIVSA-N -1 3 292.354 3.005 20 0 CGADHM CC(C)[C@H]1CN(C(=O)c2cc([O-])ccc2Cl)CCS1 ZINC000431860155 372509181 /nfs/dbraw/zinc/50/91/81/372509181.db2.gz UNLVIYRANVEMEH-CYBMUJFWSA-N -1 3 299.823 3.259 20 0 CGADHM [O-]c1ccc(Br)c(CN2CCC[C@H]2CF)c1 ZINC000293923946 372526263 /nfs/dbraw/zinc/52/62/63/372526263.db2.gz GXCQNPIWTXYQJL-JTQLQIEISA-N -1 3 288.160 3.089 20 0 CGADHM CCC[C@]1(CO)CCN(Cc2cccc([O-])c2Cl)C1 ZINC000293939605 372532033 /nfs/dbraw/zinc/53/20/33/372532033.db2.gz OEMDCIAMVDAPNJ-HNNXBMFYSA-N -1 3 283.799 3.030 20 0 CGADHM O=C([O-])Cc1ccccc1CNCc1cccc(Cl)c1 ZINC000167636122 372600448 /nfs/dbraw/zinc/60/04/48/372600448.db2.gz CQYFPLZTPTZWBJ-UHFFFAOYSA-N -1 3 289.762 3.257 20 0 CGADHM COCc1cccc(CNCc2cccc([O-])c2Cl)c1 ZINC000294094549 372579444 /nfs/dbraw/zinc/57/94/44/372579444.db2.gz LZDOXRMRSVJMJS-UHFFFAOYSA-N -1 3 291.778 3.482 20 0 CGADHM Cc1cc(F)cc(NC(=O)c2c[n-]nc2-c2ccncc2)c1 ZINC000433317980 372589471 /nfs/dbraw/zinc/58/94/71/372589471.db2.gz KFGOAQYJYGOFIA-UHFFFAOYSA-N -1 3 296.305 3.172 20 0 CGADHM Cc1cc(F)cc(NC(=O)c2cn[n-]c2-c2ccncc2)c1 ZINC000433317980 372589482 /nfs/dbraw/zinc/58/94/82/372589482.db2.gz KFGOAQYJYGOFIA-UHFFFAOYSA-N -1 3 296.305 3.172 20 0 CGADHM [O-]c1ccc(F)c(CN2CC=C(C(F)(F)F)CC2)c1F ZINC000295448666 372785719 /nfs/dbraw/zinc/78/57/19/372785719.db2.gz VBQZUGKKCQLORJ-UHFFFAOYSA-N -1 3 293.235 3.365 20 0 CGADHM O=C(c1ccc2c(c1[O-])CCCC2)N1CCC[C@@H]1C(F)F ZINC000436700457 372837644 /nfs/dbraw/zinc/83/76/44/372837644.db2.gz VTYVFEMQOZEFPX-CYBMUJFWSA-N -1 3 295.329 3.141 20 0 CGADHM Cc1ccc(-c2cc(C(=O)Nc3ccsc3)n[n-]2)o1 ZINC000172322685 372941904 /nfs/dbraw/zinc/94/19/04/372941904.db2.gz CVIUTMAWPYQBJL-UHFFFAOYSA-N -1 3 273.317 3.292 20 0 CGADHM Cc1ccc(-c2cc(C(=O)Nc3ccsc3)[n-]n2)o1 ZINC000172322685 372941916 /nfs/dbraw/zinc/94/19/16/372941916.db2.gz CVIUTMAWPYQBJL-UHFFFAOYSA-N -1 3 273.317 3.292 20 0 CGADHM CC1CC([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000353520555 220134801 /nfs/dbraw/zinc/13/48/01/220134801.db2.gz WKTYVKXKDFAFJG-UHFFFAOYSA-N -1 3 294.203 3.070 20 0 CGADHM C[C@H]1CCCN(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000344771915 217306922 /nfs/dbraw/zinc/30/69/22/217306922.db2.gz UZGOGJJZVYEPRX-LBPRGKRZSA-N -1 3 279.355 3.113 20 0 CGADHM Cc1ccc(-c2nc([C@@H]3CCOC[C@@H]3C)no2)c([O-])c1C ZINC000442686859 373065435 /nfs/dbraw/zinc/06/54/35/373065435.db2.gz LXTAASSZVLSYOO-CMPLNLGQSA-N -1 3 288.347 3.199 20 0 CGADHM CC(C)(C)C(=O)c1ccsc1[N-]C(=O)c1cnsn1 ZINC000173054718 373084545 /nfs/dbraw/zinc/08/45/45/373084545.db2.gz UXUUMJKTKHQPGS-UHFFFAOYSA-N -1 3 295.389 3.081 20 0 CGADHM CCCCOc1cccc(NC([O-])=NOC(C)C)c1 ZINC000296417998 373126907 /nfs/dbraw/zinc/12/69/07/373126907.db2.gz JTNDLKJQAIAEQP-UHFFFAOYSA-N -1 3 266.341 3.327 20 0 CGADHM CCCCOc1cccc(NC(=O)[N-]OC(C)C)c1 ZINC000296417998 373126917 /nfs/dbraw/zinc/12/69/17/373126917.db2.gz JTNDLKJQAIAEQP-UHFFFAOYSA-N -1 3 266.341 3.327 20 0 CGADHM Cc1c(CSC(C)C)cccc1NC(=O)c1cnn[n-]1 ZINC000173940804 373222076 /nfs/dbraw/zinc/22/20/76/373222076.db2.gz CXIZANUHQPOERL-UHFFFAOYSA-N -1 3 290.392 3.007 20 0 CGADHM Cc1c(CSC(C)C)cccc1NC(=O)c1c[n-]nn1 ZINC000173940804 373222084 /nfs/dbraw/zinc/22/20/84/373222084.db2.gz CXIZANUHQPOERL-UHFFFAOYSA-N -1 3 290.392 3.007 20 0 CGADHM Cc1c(CSC(C)C)cccc1NC(=O)c1cn[n-]n1 ZINC000173940804 373222088 /nfs/dbraw/zinc/22/20/88/373222088.db2.gz CXIZANUHQPOERL-UHFFFAOYSA-N -1 3 290.392 3.007 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CCC[C@@H](C(C)C)C2)c1 ZINC000444524064 373196309 /nfs/dbraw/zinc/19/63/09/373196309.db2.gz PAZCMDFHORFIMR-CQSZACIVSA-N -1 3 275.392 3.463 20 0 CGADHM CC[C@@H](OC1CCCC1)C(=O)Nc1cc(F)ccc1[O-] ZINC000174905706 373379032 /nfs/dbraw/zinc/37/90/32/373379032.db2.gz HSFLUJAMEREKCS-CQSZACIVSA-N -1 3 281.327 3.208 20 0 CGADHM O=C(NCc1cc(F)c(Cl)cc1F)c1cccc([O-])c1 ZINC000447739663 373484081 /nfs/dbraw/zinc/48/40/81/373484081.db2.gz FVTLBHYLSUTCSV-UHFFFAOYSA-N -1 3 297.688 3.254 20 0 CGADHM O=C(N=c1cc(-c2cccc(F)c2)o[n-]1)c1ccccc1 ZINC000448539810 373581230 /nfs/dbraw/zinc/58/12/30/373581230.db2.gz WSTCDRNTLZOKDV-UHFFFAOYSA-N -1 3 282.274 3.155 20 0 CGADHM O=C(c1cccc([O-])c1)N(Cc1ccccc1F)C1CC1 ZINC000176021766 373549926 /nfs/dbraw/zinc/54/99/26/373549926.db2.gz BFHIMODTYUIEJI-UHFFFAOYSA-N -1 3 285.318 3.336 20 0 CGADHM Cc1ccc(C)n1C1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000299596130 373576441 /nfs/dbraw/zinc/57/64/41/373576441.db2.gz WZQMRJUQUSKAKF-UHFFFAOYSA-N -1 3 298.386 3.288 20 0 CGADHM O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1c(F)cccc1Cl ZINC000300006886 373618407 /nfs/dbraw/zinc/61/84/07/373618407.db2.gz WYKNDOCYDFGJLF-RBZYPMLTSA-N -1 3 297.757 3.164 20 0 CGADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC[C@H](C)C3)nc2)n1 ZINC000301162484 373678678 /nfs/dbraw/zinc/67/86/78/373678678.db2.gz GOJBVAJRKUXFBX-LBPRGKRZSA-N -1 3 298.390 3.043 20 0 CGADHM Cc1cc2ccccc2n1CC(=O)Nc1cc(F)ccc1[O-] ZINC000178330162 373766770 /nfs/dbraw/zinc/76/67/70/373766770.db2.gz NYTZPSVMVQLISX-UHFFFAOYSA-N -1 3 298.317 3.433 20 0 CGADHM Cc1cc(S(=O)(=O)[N-]c2cccc(C)c2F)ccc1F ZINC000180018969 373953880 /nfs/dbraw/zinc/95/38/80/373953880.db2.gz HDWKXBREDJMBQN-UHFFFAOYSA-N -1 3 297.326 3.382 20 0 CGADHM CC(=O)c1[n-]c(=NCc2ccc(C)c(F)c2)sc1C ZINC000450232220 374012953 /nfs/dbraw/zinc/01/29/53/374012953.db2.gz KITXCBRATYUHKM-UHFFFAOYSA-N -1 3 278.352 3.136 20 0 CGADHM CCCN(c1ccc(-c2nc(CC)cc(=O)[n-]2)cn1)C1CC1 ZINC000302805657 373970109 /nfs/dbraw/zinc/97/01/09/373970109.db2.gz FQOGKBNXIDWEKE-UHFFFAOYSA-N -1 3 298.390 3.185 20 0 CGADHM O=C([N-]c1c(F)cc(Cl)cc1F)c1ccco1 ZINC000180341689 373993533 /nfs/dbraw/zinc/99/35/33/373993533.db2.gz ZZXZEMOBJJYJBM-UHFFFAOYSA-N -1 3 257.623 3.464 20 0 CGADHM CC(=O)c1[n-]c(=N[C@@H]2CCO[C@@H](C(C)(C)C)C2)sc1C ZINC000450413137 374112916 /nfs/dbraw/zinc/11/29/16/374112916.db2.gz SGJYBJWUCAFHBB-VXGBXAGGSA-N -1 3 296.436 3.082 20 0 CGADHM O=C(c1cccc([O-])c1)N1CCC[C@@H]1Cc1cccc(F)c1 ZINC000182126199 374223455 /nfs/dbraw/zinc/22/34/55/374223455.db2.gz OPEMWZLITCQVCX-MRXNPFEDSA-N -1 3 299.345 3.379 20 0 CGADHM CC[C@H]1CC[C@H](NC(=O)Cc2ccc([O-])c(F)c2)CC1 ZINC000452128968 374245345 /nfs/dbraw/zinc/24/53/45/374245345.db2.gz AQGHORVCWQWAFZ-AULYBMBSSA-N -1 3 279.355 3.159 20 0 CGADHM Cc1ccc(C(=O)N2C[C@H](C)C[C@@H]2c2cccnc2)c([O-])c1 ZINC000182770654 374324178 /nfs/dbraw/zinc/32/41/78/374324178.db2.gz DKCPRLGEGAXBBQ-CZUORRHYSA-N -1 3 296.370 3.319 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)N(C1CCC1)C1CCC1 ZINC000452347361 374344098 /nfs/dbraw/zinc/34/40/98/374344098.db2.gz ILYZPSMHTTUJQH-UHFFFAOYSA-N -1 3 277.339 3.007 20 0 CGADHM Cc1cc(F)cc(C(=O)Nc2c(C)cccc2[O-])c1 ZINC000183062997 374365844 /nfs/dbraw/zinc/36/58/44/374365844.db2.gz PXTSHEIQLHRKSG-UHFFFAOYSA-N -1 3 259.280 3.400 20 0 CGADHM COc1ccc(C[C@@H](C)CNC(=O)c2cccc([O-])c2)cc1 ZINC000182942175 374348182 /nfs/dbraw/zinc/34/81/82/374348182.db2.gz BHVUUTFCXKBYLY-CYBMUJFWSA-N -1 3 299.370 3.009 20 0 CGADHM COc1ccccc1CCC(=O)Nc1ccc([O-])cc1F ZINC000183252960 374393148 /nfs/dbraw/zinc/39/31/48/374393148.db2.gz CYWRTIOMMQYSQI-UHFFFAOYSA-N -1 3 289.306 3.111 20 0 CGADHM CC(C)N(Cc1ccccc1)C(=O)c1cccc2[n-]nnc21 ZINC000183359973 374406602 /nfs/dbraw/zinc/40/66/02/374406602.db2.gz YWRAUIUUNIIEFJ-UHFFFAOYSA-N -1 3 294.358 3.009 20 0 CGADHM CC(C)N(Cc1ccccc1)C(=O)c1cccc2nn[n-]c21 ZINC000183359973 374406605 /nfs/dbraw/zinc/40/66/05/374406605.db2.gz YWRAUIUUNIIEFJ-UHFFFAOYSA-N -1 3 294.358 3.009 20 0 CGADHM CC(C)N(Cc1ccccc1)C(=O)c1cccc2n[n-]nc21 ZINC000183359973 374406611 /nfs/dbraw/zinc/40/66/11/374406611.db2.gz YWRAUIUUNIIEFJ-UHFFFAOYSA-N -1 3 294.358 3.009 20 0 CGADHM COC(=O)c1coc(C(=O)[N-]c2cccc(Cl)c2F)c1 ZINC000183764363 374454340 /nfs/dbraw/zinc/45/43/40/374454340.db2.gz SRSZMLVDUMXCOM-UHFFFAOYSA-N -1 3 297.669 3.111 20 0 CGADHM C[C@H]1C[C@H](C(=O)Nc2ccc(C(C)(C)C)cc2[O-])CO1 ZINC000330416288 374460506 /nfs/dbraw/zinc/46/05/06/374460506.db2.gz VDMXXQHGOKFMPI-QWRGUYRKSA-N -1 3 277.364 3.053 20 0 CGADHM O=[S@@](Cc1cccc(OC(F)F)c1)c1cccc([O-])c1 ZINC000184050837 374485881 /nfs/dbraw/zinc/48/58/81/374485881.db2.gz AZHZBMQXVYJRMA-FQEVSTJZSA-N -1 3 298.310 3.301 20 0 CGADHM COc1ccc(C[S@](=O)c2cccc([O-])c2)cc1Cl ZINC000184076389 374490355 /nfs/dbraw/zinc/49/03/55/374490355.db2.gz SQPQXENHRDOGRK-IBGZPJMESA-N -1 3 296.775 3.362 20 0 CGADHM COc1cc(NCc2cc([O-])cc(F)c2)cc(OC)c1 ZINC000184131481 374494837 /nfs/dbraw/zinc/49/48/37/374494837.db2.gz VLQZBZVCJYDTRI-UHFFFAOYSA-N -1 3 277.295 3.161 20 0 CGADHM CC1(C)CCCC[C@@H]1CC(=O)NCc1ncccc1[O-] ZINC000331027084 374497046 /nfs/dbraw/zinc/49/70/46/374497046.db2.gz VWMXFNLNHQEQQQ-GFCCVEGCSA-N -1 3 276.380 3.010 20 0 CGADHM [O-]c1cc(F)cc(CNCc2ccc(OC(F)F)cc2)c1 ZINC000184134590 374497127 /nfs/dbraw/zinc/49/71/27/374497127.db2.gz ROBHFYJMSCTQOH-UHFFFAOYSA-N -1 3 297.276 3.423 20 0 CGADHM Cc1ncsc1NC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000332180998 374558838 /nfs/dbraw/zinc/55/88/38/374558838.db2.gz SGMFPEPSALEJAS-UHFFFAOYSA-N -1 3 288.372 3.288 20 0 CGADHM CC[C@@H](NC(=O)c1ccc([O-])c(OC)c1)C1CCCC1 ZINC000456660639 374595230 /nfs/dbraw/zinc/59/52/30/374595230.db2.gz NAORQRZCTWNOCJ-CYBMUJFWSA-N -1 3 277.364 3.099 20 0 CGADHM [O-]c1cccc(CN[C@H]2Cc3cccc(O)c3C2)c1Cl ZINC000334229340 206223090 /nfs/dbraw/zinc/22/30/90/206223090.db2.gz IDBBYAYCXLHDLU-LBPRGKRZSA-N -1 3 289.762 3.008 20 0 CGADHM CC(C)c1c[nH]nc1NC(=O)Cc1ccc([O-])cc1Cl ZINC000456734791 374610128 /nfs/dbraw/zinc/61/01/28/374610128.db2.gz LEPRKVLXQLGXBM-UHFFFAOYSA-N -1 3 293.754 3.073 20 0 CGADHM CC(C)c1ccc(C(=O)NC[C@H]2CCO[C@@H](C)C2)c([O-])c1 ZINC000334087745 374646746 /nfs/dbraw/zinc/64/67/46/374646746.db2.gz OKEYVFZDAVUDMP-STQMWFEESA-N -1 3 291.391 3.061 20 0 CGADHM O=C(Nc1ccc([O-])cc1F)c1cnc(C2CC2)s1 ZINC000334245832 374661737 /nfs/dbraw/zinc/66/17/37/374661737.db2.gz SHGDRCHDXBPUPF-UHFFFAOYSA-N -1 3 278.308 3.118 20 0 CGADHM CCc1ccc([C@@H](COC)NCc2cc([O-])cc(F)c2)o1 ZINC000185553826 374686437 /nfs/dbraw/zinc/68/64/37/374686437.db2.gz KDDFSUOHQBPMPB-OAHLLOKOSA-N -1 3 293.338 3.164 20 0 CGADHM CN(C)c1cccc(CN(C)Cc2cc([O-])cc(F)c2)c1 ZINC000186260442 374823330 /nfs/dbraw/zinc/82/33/30/374823330.db2.gz UPNRTEXYLQLZDF-UHFFFAOYSA-N -1 3 288.366 3.229 20 0 CGADHM C[C@H]1CCCN(Cc2cc3ccccc3o2)[C@H]1C(=O)[O-] ZINC000334648124 374941230 /nfs/dbraw/zinc/94/12/30/374941230.db2.gz QJGCAGWBYNDPBG-XHDPSFHLSA-N -1 3 273.332 3.118 20 0 CGADHM Cc1onc(C2CC2)c1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000334680448 374971005 /nfs/dbraw/zinc/97/10/05/374971005.db2.gz AMWBWZHKRLAAST-UHFFFAOYSA-N -1 3 292.722 3.472 20 0 CGADHM COC(=O)c1cnc(S[C@H](C)c2ccccc2)[n-]1 ZINC000187583423 375048126 /nfs/dbraw/zinc/04/81/26/375048126.db2.gz VLMRGLNZRYVHFU-SECBINFHSA-N -1 3 262.334 3.050 20 0 CGADHM C[C@@H](c1ccc(F)cc1)S(=O)(=O)c1cccc([O-])c1 ZINC000334988416 375053534 /nfs/dbraw/zinc/05/35/34/375053534.db2.gz VRIFORMWKXLTGC-JTQLQIEISA-N -1 3 280.320 3.066 20 0 CGADHM [O-]c1ccc(F)c(CN2CCC[C@@H]2[C@H]2CCCOC2)c1F ZINC000335423474 375281443 /nfs/dbraw/zinc/28/14/43/375281443.db2.gz KLVZFINYECHJQT-SMDDNHRTSA-N -1 3 297.345 3.061 20 0 CGADHM CCc1cc(C(=O)N(CC2CC2)C2CCC2)ccc1[O-] ZINC000487584979 375260304 /nfs/dbraw/zinc/26/03/04/375260304.db2.gz SGHOZHVNXIYEFX-UHFFFAOYSA-N -1 3 273.376 3.359 20 0 CGADHM C[C@@H](N(C)C(=O)c1c[n-]c2ccccc2c1=O)C(C)(C)C ZINC000335704304 375361429 /nfs/dbraw/zinc/36/14/29/375361429.db2.gz JOJAYZHNWJGJGH-LLVKDONJSA-N -1 3 286.375 3.035 20 0 CGADHM O=C(/C=C/C1CC1)Nc1ccc(Br)cc1[O-] ZINC000491903098 375362161 /nfs/dbraw/zinc/36/21/61/375362161.db2.gz HGKLTUUMDYMYBG-ZZXKWVIFSA-N -1 3 282.137 3.059 20 0 CGADHM C[C@@H](c1ccc(F)cc1F)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000262177345 296229280 /nfs/dbraw/zinc/22/92/80/296229280.db2.gz PSOOPPCFPWWMGR-XMZIXOGTSA-N -1 3 295.329 3.213 20 0 CGADHM C[C@H](C(=O)Nc1cc(F)ccc1[O-])c1ccsc1 ZINC000335887452 375515147 /nfs/dbraw/zinc/51/51/47/375515147.db2.gz QKXSKXUZWROFFY-QMMMGPOBSA-N -1 3 265.309 3.335 20 0 CGADHM O=C(Nc1ccccc1[O-])c1cccc(F)c1Cl ZINC000335902891 375526446 /nfs/dbraw/zinc/52/64/46/375526446.db2.gz IKEKFPSMTFYQCE-UHFFFAOYSA-N -1 3 265.671 3.437 20 0 CGADHM Cc1cccc(C(=O)N=c2cc(-c3ccccc3)[n-][nH]2)c1C ZINC000497864531 375613842 /nfs/dbraw/zinc/61/38/42/375613842.db2.gz VUGFPVNRXMJSQD-UHFFFAOYSA-N -1 3 291.354 3.368 20 0 CGADHM C[C@@H]1CC[C@H](C)N1C(=O)c1cc([O-])ccc1Cl ZINC000336039086 375638440 /nfs/dbraw/zinc/63/84/40/375638440.db2.gz KQVVAQAEZAKFBY-DTORHVGOSA-N -1 3 253.729 3.059 20 0 CGADHM O=C(c1c([O-])cccc1O)N1CCC=C(c2ccccc2)C1 ZINC000336144277 375723882 /nfs/dbraw/zinc/72/38/82/375723882.db2.gz YXFYYJGHVIBKSF-UHFFFAOYSA-N -1 3 295.338 3.027 20 0 CGADHM Cc1cc(C(=O)N2CC[C@H](Nc3ccccc3)C2)ccc1[O-] ZINC000334267417 206282037 /nfs/dbraw/zinc/28/20/37/206282037.db2.gz OROVKVGYOGCBGX-INIZCTEOSA-N -1 3 296.370 3.027 20 0 CGADHM CCN(C(=O)c1cc([O-])ccc1Cl)C1CCC1 ZINC000336161133 375737879 /nfs/dbraw/zinc/73/78/79/375737879.db2.gz OSLCWRSICFZZRS-UHFFFAOYSA-N -1 3 253.729 3.060 20 0 CGADHM CC(C)c1ccc(NC(=O)[N-]c2cnns2)cc1 ZINC000192372329 375740342 /nfs/dbraw/zinc/74/03/42/375740342.db2.gz NFPUHZRWFFYDBB-UHFFFAOYSA-N -1 3 262.338 3.306 20 0 CGADHM Cc1ccc([C@H](C)N[C@@H](C)c2nc(C)cc(=O)[n-]2)cc1 ZINC000192724114 375783646 /nfs/dbraw/zinc/78/36/46/375783646.db2.gz HIWDERRSPYPDQP-STQMWFEESA-N -1 3 271.364 3.211 20 0 CGADHM Cc1cc(C)c(CCNC(=O)c2cccc([O-])c2)c(C)c1 ZINC000508796552 375762409 /nfs/dbraw/zinc/76/24/09/375762409.db2.gz QHXWCWPPLRMMQU-UHFFFAOYSA-N -1 3 283.371 3.290 20 0 CGADHM C[C@H](CCCNCc1cc(Cl)ccc1F)C(=O)[O-] ZINC000336794120 375943299 /nfs/dbraw/zinc/94/32/99/375943299.db2.gz ZUIATXJJXGDITB-SECBINFHSA-N -1 3 273.735 3.070 20 0 CGADHM O=C(Nc1cccc([O-])c1F)c1cccc2cnccc21 ZINC000534944335 376007434 /nfs/dbraw/zinc/00/74/34/376007434.db2.gz FXRUKFSSMDXKOY-UHFFFAOYSA-N -1 3 282.274 3.332 20 0 CGADHM C[C@@H](CC(F)(F)F)NCc1cccc([O-])c1Cl ZINC000336897416 376025134 /nfs/dbraw/zinc/02/51/34/376025134.db2.gz PAFPQQZTIPUDCJ-ZETCQYMHSA-N -1 3 267.678 3.476 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CCC[C@@H]2c2ccccn2)c1 ZINC000536687827 376121437 /nfs/dbraw/zinc/12/14/37/376121437.db2.gz FWRXAIOEILEJEB-OAHLLOKOSA-N -1 3 282.343 3.073 20 0 CGADHM O=C(/C=C\c1ccc(F)cc1)Nc1ccc([O-])cc1F ZINC000211219212 376133454 /nfs/dbraw/zinc/13/34/54/376133454.db2.gz PJFLWQNGDUMBAG-BAQGIRSFSA-N -1 3 275.254 3.322 20 0 CGADHM Cc1ccc(C(=O)N[C@H](C(C)(C)C)C(F)(F)F)c([O-])c1 ZINC000538775473 376270074 /nfs/dbraw/zinc/27/00/74/376270074.db2.gz LQAFTLYHTMYWIG-GFCCVEGCSA-N -1 3 289.297 3.407 20 0 CGADHM Cc1cccc(C(=O)N[C@@H](C(C)(C)C)C(F)(F)F)c1[O-] ZINC000539874327 376343466 /nfs/dbraw/zinc/34/34/66/376343466.db2.gz WXMBVYYVWJNKPK-LBPRGKRZSA-N -1 3 289.297 3.407 20 0 CGADHM CC(C)[C@H](C)N(C)C(=O)c1cc([O-])ccc1Cl ZINC000232733759 376587842 /nfs/dbraw/zinc/58/78/42/376587842.db2.gz ISACNKIFUVGVEK-VIFPVBQESA-N -1 3 255.745 3.162 20 0 CGADHM CC1CCC(NC(=O)c2cc([O-])ccc2Cl)CC1 ZINC000232845949 376590380 /nfs/dbraw/zinc/59/03/80/376590380.db2.gz SXSZBNCGPAOCHG-UHFFFAOYSA-N -1 3 267.756 3.354 20 0 CGADHM Cc1ccc(CN(C)C(=O)c2cc([O-])ccc2Cl)o1 ZINC000234309968 376615387 /nfs/dbraw/zinc/61/53/87/376615387.db2.gz LWIWOPXZWZDBSG-UHFFFAOYSA-N -1 3 279.723 3.219 20 0 CGADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2ccc(F)cc2F)C1 ZINC000135026232 542085506 /nfs/dbraw/zinc/08/55/06/542085506.db2.gz HTMYIDSHRVRAGU-GFCCVEGCSA-N -1 3 297.345 3.288 20 0 CGADHM O=C(Nc1ccc(Cl)cc1[O-])[C@@H]1C[C@@H]1C1CC1 ZINC000339007559 376626129 /nfs/dbraw/zinc/62/61/29/376626129.db2.gz VDHJAKDSUUKZNJ-NXEZZACHSA-N -1 3 251.713 3.030 20 0 CGADHM C[C@@]1(CNC(=O)c2cc([O-])ccc2Cl)CCCS1 ZINC000235449370 376641028 /nfs/dbraw/zinc/64/10/28/376641028.db2.gz CWQZCRVUFJDEEA-ZDUSSCGKSA-N -1 3 285.796 3.061 20 0 CGADHM C[C@]1(CNC(=O)c2cc([O-])ccc2Cl)CCCS1 ZINC000235720149 376648359 /nfs/dbraw/zinc/64/83/59/376648359.db2.gz CWQZCRVUFJDEEA-CYBMUJFWSA-N -1 3 285.796 3.061 20 0 CGADHM Cc1ccccc1CCNC(=O)c1cc([O-])ccc1Cl ZINC000235774750 376650524 /nfs/dbraw/zinc/65/05/24/376650524.db2.gz QEOQGJAWCKEFKE-UHFFFAOYSA-N -1 3 289.762 3.327 20 0 CGADHM CCCc1ncc(C(=O)Nc2ccc(OC)cc2[O-])s1 ZINC000135412696 542087597 /nfs/dbraw/zinc/08/75/97/542087597.db2.gz XYDAHBARGNZMEL-UHFFFAOYSA-N -1 3 292.360 3.062 20 0 CGADHM COc1ccc(NC(=O)[C@@H](C)c2ccccc2)c([O-])c1 ZINC000135410100 542087678 /nfs/dbraw/zinc/08/76/78/542087678.db2.gz CTUUJZXCSMCDCZ-NSHDSACASA-N -1 3 271.316 3.143 20 0 CGADHM COc1ccc(NC(=O)CCCC[C@H](C)C(C)=O)c([O-])c1 ZINC000135417805 542087848 /nfs/dbraw/zinc/08/78/48/542087848.db2.gz BFAGARAUAMKWAV-NSHDSACASA-N -1 3 293.363 3.125 20 0 CGADHM Cc1noc(C)c1[C@H](C)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000153600517 542112066 /nfs/dbraw/zinc/11/20/66/542112066.db2.gz DOBHXAARDSCODK-ZETCQYMHSA-N -1 3 294.738 3.393 20 0 CGADHM CCO[C@@H](C)c1ncc(C(=O)Nc2ccccc2[O-])s1 ZINC000340103768 376915967 /nfs/dbraw/zinc/91/59/67/376915967.db2.gz ZZDMRVBWTZXBGY-VIFPVBQESA-N -1 3 292.360 3.199 20 0 CGADHM CSc1nnc(NC(=O)C[C@H](C)C2CCCCC2)[n-]1 ZINC000340270035 376970268 /nfs/dbraw/zinc/97/02/68/376970268.db2.gz ZGXXJFUXFRGPEF-VIFPVBQESA-N -1 3 282.413 3.072 20 0 CGADHM CSc1n[n-]c(NC(=O)C[C@H](C)C2CCCCC2)n1 ZINC000340270035 376970274 /nfs/dbraw/zinc/97/02/74/376970274.db2.gz ZGXXJFUXFRGPEF-VIFPVBQESA-N -1 3 282.413 3.072 20 0 CGADHM CSc1nc(NC(=O)C[C@H](C)C2CCCCC2)n[n-]1 ZINC000340270035 376970281 /nfs/dbraw/zinc/97/02/81/376970281.db2.gz ZGXXJFUXFRGPEF-VIFPVBQESA-N -1 3 282.413 3.072 20 0 CGADHM FC(F)(F)c1c[n-]c(=NCC(C2CC2)C2CC2)s1 ZINC000558718464 377037041 /nfs/dbraw/zinc/03/70/41/377037041.db2.gz VJOUHNKWVFUHKY-UHFFFAOYSA-N -1 3 276.327 3.432 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000340333355 377010576 /nfs/dbraw/zinc/01/05/76/377010576.db2.gz YEJNONMCWAUZHD-QWHCGFSZSA-N -1 3 289.281 3.413 20 0 CGADHM O=C([O-])c1ccoc1CN1CCC[C@H]1c1ccccc1 ZINC000563277489 377429810 /nfs/dbraw/zinc/42/98/10/377429810.db2.gz MUQZZFHDWIVBKA-AWEZNQCLSA-N -1 3 271.316 3.315 20 0 CGADHM Cc1ccccc1[C@@H]1CCN(Cc2cc(C(=O)[O-])co2)C1 ZINC000563278660 377432070 /nfs/dbraw/zinc/43/20/70/377432070.db2.gz YFVOXIJZRCRBGV-CYBMUJFWSA-N -1 3 285.343 3.276 20 0 CGADHM CC(C)(C)c1ncc(CN2CCC[C@H](CC(=O)[O-])C2)s1 ZINC000563393393 377455704 /nfs/dbraw/zinc/45/57/04/377455704.db2.gz VIHNOECKVZRGFM-LLVKDONJSA-N -1 3 296.436 3.127 20 0 CGADHM CCC(CC)n1ccc(CN([C@@H](C)C(=O)[O-])C2CCC2)n1 ZINC000563456245 377469747 /nfs/dbraw/zinc/46/97/47/377469747.db2.gz UFYJRSTZPVRHLY-LBPRGKRZSA-N -1 3 293.411 3.072 20 0 CGADHM CC[C@@H](CNC(=O)c1c([O-])cccc1O)c1ccccc1 ZINC000092103521 249032528 /nfs/dbraw/zinc/03/25/28/249032528.db2.gz DGAQGVRDXVOSOS-LBPRGKRZSA-N -1 3 285.343 3.021 20 0 CGADHM CC(C)(CNC(=O)c1ccccc1[O-])c1cccs1 ZINC000083599883 249006969 /nfs/dbraw/zinc/00/69/69/249006969.db2.gz XBJAXYRJBBJDKC-UHFFFAOYSA-N -1 3 275.373 3.161 20 0 CGADHM CC(C)N(CCC(=O)[O-])Cc1cc(Cl)ccc1F ZINC000165662169 542172270 /nfs/dbraw/zinc/17/22/70/542172270.db2.gz JHKWVHLGLDHZHR-UHFFFAOYSA-N -1 3 273.735 3.164 20 0 CGADHM CC(C)CCNCc1cccc([O-])c1Br ZINC000314985954 249098127 /nfs/dbraw/zinc/09/81/27/249098127.db2.gz HJOHAXJPOUHLRI-UHFFFAOYSA-N -1 3 272.186 3.290 20 0 CGADHM CCc1ccc(NC(=O)NCc2ncccc2[O-])cc1CC ZINC000469917883 249162461 /nfs/dbraw/zinc/16/24/61/249162461.db2.gz LSSCYINZEBBAQS-UHFFFAOYSA-N -1 3 299.374 3.234 20 0 CGADHM CCc1cc(C(=O)N2CCc3sccc3C2)ccc1[O-] ZINC000341422547 377560726 /nfs/dbraw/zinc/56/07/26/377560726.db2.gz YMKLVUXLYXNPFK-UHFFFAOYSA-N -1 3 287.384 3.215 20 0 CGADHM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C/C=C\c1ccc(F)cc1F ZINC000515494866 249214096 /nfs/dbraw/zinc/21/40/96/249214096.db2.gz RPWOFYGHZPBIGQ-XFKWNRGUSA-N -1 3 295.329 3.163 20 0 CGADHM C[C@H]1CCCN1Cc1cc(C(=O)[O-])ccc1Cl ZINC000517750858 249271004 /nfs/dbraw/zinc/27/10/04/249271004.db2.gz SXZJMGSNYUSKIP-VIFPVBQESA-N -1 3 253.729 3.023 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])c1cc(-c2ccco2)on1 ZINC000179645552 542202135 /nfs/dbraw/zinc/20/21/35/542202135.db2.gz OQDJQUZNSJLSBC-UHFFFAOYSA-N -1 3 288.234 3.032 20 0 CGADHM CN(CCc1cccs1)[C@H](C(=O)[O-])c1ccccc1F ZINC000574578905 377683241 /nfs/dbraw/zinc/68/32/41/377683241.db2.gz VVMIJSMMSBGRNB-AWEZNQCLSA-N -1 3 293.363 3.187 20 0 CGADHM Cc1oc([C@H](C)N2C[C@@H](C)S[C@H](C)C2)cc1C(=O)[O-] ZINC000574816142 377712640 /nfs/dbraw/zinc/71/26/40/377712640.db2.gz GJUTZVHQJIZRKS-BBBLOLIVSA-N -1 3 283.393 3.173 20 0 CGADHM C[C@H](CN(C)[C@H](C)c1ncc(-c2ccccc2)o1)C(=O)[O-] ZINC000574921547 377725335 /nfs/dbraw/zinc/72/53/35/377725335.db2.gz DTYCZAFUKLYQBF-VXGBXAGGSA-N -1 3 288.347 3.055 20 0 CGADHM C[C@H](N[C@@H](C)[C@H](C)C(=O)[O-])c1ncc(-c2ccccc2)o1 ZINC000574996209 377736773 /nfs/dbraw/zinc/73/67/73/377736773.db2.gz ZOUCTJKKBGLKLG-SRVKXCTJSA-N -1 3 288.347 3.101 20 0 CGADHM CCc1ccc([C@H](C)NC(=O)c2cccc(OC)c2[O-])cc1 ZINC000255946531 377787807 /nfs/dbraw/zinc/78/78/07/377787807.db2.gz GJZBPKZESJSCNX-LBPRGKRZSA-N -1 3 299.370 3.454 20 0 CGADHM O=C(Nc1ncccc1[O-])c1ccc2c3c(cccc31)CC2 ZINC000342975356 377875000 /nfs/dbraw/zinc/87/50/00/377875000.db2.gz ZUDLAAUSBOAACE-UHFFFAOYSA-N -1 3 290.322 3.291 20 0 CGADHM CCc1cc(C(=O)N(CC)Cc2ccccn2)ccc1[O-] ZINC000342880047 377851902 /nfs/dbraw/zinc/85/19/02/377851902.db2.gz GECMQQYJYJZSKD-UHFFFAOYSA-N -1 3 284.359 3.012 20 0 CGADHM CSc1ccc(CN2C[C@H](C)C[C@@H](C(=O)[O-])C2)s1 ZINC000263067241 377916960 /nfs/dbraw/zinc/91/69/60/377916960.db2.gz OIVSHUDBMPZUCK-NXEZZACHSA-N -1 3 285.434 3.013 20 0 CGADHM CC(C)Oc1ccccc1CN1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000263309435 377925897 /nfs/dbraw/zinc/92/58/97/377925897.db2.gz HTVVRDODDRRWLZ-HIFRSBDPSA-N -1 3 291.391 3.016 20 0 CGADHM CCCc1cc(N(C)CCC(=O)[O-])c2ccccc2n1 ZINC000263407224 377933338 /nfs/dbraw/zinc/93/33/38/377933338.db2.gz LAPTXWYDGONJMC-UHFFFAOYSA-N -1 3 272.348 3.098 20 0 CGADHM Cc1cccc2c1ncc(C)c2NCCCC(=O)[O-] ZINC000263432529 377936469 /nfs/dbraw/zinc/93/64/69/377936469.db2.gz UDSUVECOAPRYSO-UHFFFAOYSA-N -1 3 258.321 3.128 20 0 CGADHM CC(C)N(CC(=O)[O-])Cc1cscc1C(F)(F)F ZINC000263513861 377942173 /nfs/dbraw/zinc/94/21/73/377942173.db2.gz OCHVTPXIONWYAY-UHFFFAOYSA-N -1 3 281.299 3.062 20 0 CGADHM CCN(Cc1ccc(OC)cc1)Cc1ccc(C(=O)[O-])cc1 ZINC000263573379 377948363 /nfs/dbraw/zinc/94/83/63/377948363.db2.gz MHEZMNFWNGNOMC-UHFFFAOYSA-N -1 3 299.370 3.416 20 0 CGADHM C[C@H](NCCCCC(=O)[O-])c1ccc(F)cc1Cl ZINC000263580418 377948419 /nfs/dbraw/zinc/94/84/19/377948419.db2.gz VYRCEYKLHXWYSV-VIFPVBQESA-N -1 3 273.735 3.385 20 0 CGADHM Cc1cccc(C(=O)N2CCC[C@H]2C(C)(C)C)c1[O-] ZINC000264232500 377966772 /nfs/dbraw/zinc/96/67/72/377966772.db2.gz BYMHUIOUDJRLDB-ZDUSSCGKSA-N -1 3 261.365 3.351 20 0 CGADHM Cc1cc(C(=O)N[C@@H](c2ccccc2)C(C)(C)C)[n-]c(=O)n1 ZINC000343456000 377985207 /nfs/dbraw/zinc/98/52/07/377985207.db2.gz YFKZRURXZHRRLU-AWEZNQCLSA-N -1 3 299.374 3.008 20 0 CGADHM Cc1oc(C(=O)[O-])cc1CN1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000578199310 378045408 /nfs/dbraw/zinc/04/54/08/378045408.db2.gz AYUSPRGAXFQMGJ-BDJLRTHQSA-N -1 3 277.364 3.298 20 0 CGADHM CCc1cccc(C(=O)NC2CC(C(F)(F)F)C2)c1[O-] ZINC000578691631 378091706 /nfs/dbraw/zinc/09/17/06/378091706.db2.gz OSDSDDOOWQWSPU-UHFFFAOYSA-N -1 3 287.281 3.025 20 0 CGADHM Cc1oc([C@@H](C)N2C[C@H](C)C[C@H](C)C2)cc1C(=O)[O-] ZINC000579720574 378186447 /nfs/dbraw/zinc/18/64/47/378186447.db2.gz PUXNCGDLCPDRBP-OUAUKWLOSA-N -1 3 265.353 3.325 20 0 CGADHM Cc1oc([C@H](C)N2C[C@@H](C)C[C@H](C)C2)cc1C(=O)[O-] ZINC000579720571 378186979 /nfs/dbraw/zinc/18/69/79/378186979.db2.gz PUXNCGDLCPDRBP-DCAQKATOSA-N -1 3 265.353 3.325 20 0 CGADHM CCC(CC)n1ccc(C(=O)Nc2ccccc2[O-])n1 ZINC000269316094 378206672 /nfs/dbraw/zinc/20/66/72/378206672.db2.gz QEBUCDBIRNLUGS-UHFFFAOYSA-N -1 3 273.336 3.202 20 0 CGADHM Cc1oc2ccccc2c1CC(=O)Nc1nc(C)ccc1[O-] ZINC000345402107 378277187 /nfs/dbraw/zinc/27/71/87/378277187.db2.gz CSYOMSSKWSVLMP-UHFFFAOYSA-N -1 3 296.326 3.331 20 0 CGADHM CCC[C@H](CC)S(=O)(=O)[N-]c1cc(CC)ccc1O ZINC000582100853 378285698 /nfs/dbraw/zinc/28/56/98/378285698.db2.gz ABEWWTMXPGQBIA-LBPRGKRZSA-N -1 3 285.409 3.275 20 0 CGADHM Cn1cc(C(=O)Nc2ccccc2[O-])c(C2CCCCC2)n1 ZINC000269649125 378248843 /nfs/dbraw/zinc/24/88/43/378248843.db2.gz QAXNEDVQAXSNIX-UHFFFAOYSA-N -1 3 299.374 3.426 20 0 CGADHM Cc1ccc(-c2cc(-c3nc(C(C)(C)C)no3)n[n-]2)o1 ZINC000345570340 378312937 /nfs/dbraw/zinc/31/29/37/378312937.db2.gz KBEDFFDXCVZQJM-UHFFFAOYSA-N -1 3 272.308 3.326 20 0 CGADHM Cc1ccc(-c2cc(-c3nc(C(C)(C)C)no3)[n-]n2)o1 ZINC000345570340 378312941 /nfs/dbraw/zinc/31/29/41/378312941.db2.gz KBEDFFDXCVZQJM-UHFFFAOYSA-N -1 3 272.308 3.326 20 0 CGADHM CC1(C)CN(CCCCC(=O)[O-])CC[C@H]1C(F)(F)F ZINC000583268739 378316688 /nfs/dbraw/zinc/31/66/88/378316688.db2.gz UKZKNSKVHQETBF-SNVBAGLBSA-N -1 3 281.318 3.152 20 0 CGADHM Cc1ccccc1-c1cc(=NC(=O)[C@H]2CC[C@H](C)C2)[nH][n-]1 ZINC000345587467 378318209 /nfs/dbraw/zinc/31/82/09/378318209.db2.gz GVOHZUXIGIUESP-AAEUAGOBSA-N -1 3 283.375 3.182 20 0 CGADHM O=C([O-])CCCCCN1CCSC[C@@H]1c1ccccc1 ZINC000583636391 378336718 /nfs/dbraw/zinc/33/67/18/378336718.db2.gz VBWIAJDICRFZGZ-OAHLLOKOSA-N -1 3 293.432 3.422 20 0 CGADHM CCC[C@]1(C)CCCN(Cc2cc(C(=O)[O-])co2)C1 ZINC000583818180 378350537 /nfs/dbraw/zinc/35/05/37/378350537.db2.gz PTULLWCQIWFWMW-OAHLLOKOSA-N -1 3 265.353 3.380 20 0 CGADHM C[C@@H]1CCCN1Cc1c(Cl)cccc1C(=O)[O-] ZINC000565662887 322085981 /nfs/dbraw/zinc/08/59/81/322085981.db2.gz PSUNMDDVCXUSSH-SECBINFHSA-N -1 3 253.729 3.023 20 0 CGADHM Cc1ccc([O-])c(NC(=O)C(C)(C)c2ccccc2)n1 ZINC000345922832 378409200 /nfs/dbraw/zinc/40/92/00/378409200.db2.gz GNOUNYJYOCSKLS-UHFFFAOYSA-N -1 3 270.332 3.012 20 0 CGADHM Cc1ccc([O-])c(NC(=O)C[C@@H](C)c2ccc(F)cc2)n1 ZINC000345927477 378410181 /nfs/dbraw/zinc/41/01/81/378410181.db2.gz CQOAUWFNLXZOLC-SNVBAGLBSA-N -1 3 288.322 3.367 20 0 CGADHM Cc1cccc([C@H](C)C(=O)Nc2nc(C)ccc2[O-])c1 ZINC000345927838 378410992 /nfs/dbraw/zinc/41/09/92/378410992.db2.gz NHWSYJGOLTUXRL-LBPRGKRZSA-N -1 3 270.332 3.146 20 0 CGADHM Cc1ccc([O-])c(CN(C)Cc2ccc(F)cc2F)n1 ZINC000271056269 378441526 /nfs/dbraw/zinc/44/15/26/378441526.db2.gz ZWTBZFFPKAVWPC-UHFFFAOYSA-N -1 3 278.302 3.006 20 0 CGADHM Cc1noc([N-]C(=O)[C@@H](C)OCc2ccccc2C)c1C ZINC000636924908 378438723 /nfs/dbraw/zinc/43/87/23/378438723.db2.gz KSKWBACVISLFAQ-CYBMUJFWSA-N -1 3 288.347 3.144 20 0 CGADHM Cc1ccc(C(=O)N(C)[C@@H](C)c2ccco2)c([O-])c1C ZINC000271275302 378487050 /nfs/dbraw/zinc/48/70/50/378487050.db2.gz PFKFWDNBBGPGLE-LBPRGKRZSA-N -1 3 273.332 3.435 20 0 CGADHM C[C@@H]1CC[C@@H](NC(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000346368880 378557324 /nfs/dbraw/zinc/55/73/24/378557324.db2.gz WFZWPYLSAJNJSZ-DGCLKSJQSA-N -1 3 279.355 3.159 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)[C@]2(C)CCCOC2)c1[O-] ZINC000272743540 378697938 /nfs/dbraw/zinc/69/79/38/378697938.db2.gz MKXMJDKMVHXVFC-CQSZACIVSA-N -1 3 283.755 3.109 20 0 CGADHM COc1cc(C(=O)N(CC(C)C)CC(C)C)ccc1[O-] ZINC000272615841 378678142 /nfs/dbraw/zinc/67/81/42/378678142.db2.gz PIRAHGUAIWMTNS-UHFFFAOYSA-N -1 3 279.380 3.155 20 0 CGADHM COc1cc(C(=O)[N-]c2cccc3ccsc32)on1 ZINC000346781077 378688860 /nfs/dbraw/zinc/68/88/60/378688860.db2.gz NPGYFEVZMQFMQI-UHFFFAOYSA-N -1 3 274.301 3.150 20 0 CGADHM CC[C@H](CSC)NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000346607958 378643410 /nfs/dbraw/zinc/64/34/10/378643410.db2.gz IFACFTFOFXQEHH-GFCCVEGCSA-N -1 3 299.411 3.112 20 0 CGADHM CC[C@H](C)[C@H](C)N(C(=O)c1cccc([O-])c1)C1CC1 ZINC000272765408 378700831 /nfs/dbraw/zinc/70/08/31/378700831.db2.gz MDGSLDIQIWSZRG-RYUDHWBXSA-N -1 3 261.365 3.431 20 0 CGADHM [O-]c1cc(F)cc(CN2CCC[C@@H]2c2ccc[nH]2)c1 ZINC000274590128 378857165 /nfs/dbraw/zinc/85/71/65/378857165.db2.gz PBRMXCVTIAOKMI-OAHLLOKOSA-N -1 3 260.312 3.197 20 0 CGADHM Cc1ccc([O-])c(CN2C[C@H](C)CN(C)c3ccccc32)n1 ZINC000348286314 378885992 /nfs/dbraw/zinc/88/59/92/378885992.db2.gz YXCXHXSFBYLHPF-CYBMUJFWSA-N -1 3 297.402 3.188 20 0 CGADHM Cc1ccc(NC(=O)c2ccc(NCC3CC3)nc2)c([O-])c1 ZINC000278540671 194033188 /nfs/dbraw/zinc/03/31/88/194033188.db2.gz FVIMQJYFFWRBPU-UHFFFAOYSA-N -1 3 297.358 3.170 20 0 CGADHM CC(=O)[C@@H](C)CCCCc1nc(-c2ccc([O-])cc2)no1 ZINC000275090933 378936449 /nfs/dbraw/zinc/93/64/49/378936449.db2.gz QQZUCEWDOIMEIK-NSHDSACASA-N -1 3 288.347 3.380 20 0 CGADHM C[C@@H]1CC(C)(C)CN1Cc1ccc(C(=O)[O-])c(F)c1 ZINC000518218618 296284382 /nfs/dbraw/zinc/28/43/82/296284382.db2.gz ORBACGQQEUFDKN-SNVBAGLBSA-N -1 3 265.328 3.144 20 0 CGADHM CCc1nnc([N-]C(=O)c2scc(C)c2Cl)s1 ZINC000276872191 379011069 /nfs/dbraw/zinc/01/10/69/379011069.db2.gz QKJQFGORGNRTFT-UHFFFAOYSA-N -1 3 287.797 3.376 20 0 CGADHM C[C@@H](CCCC(=O)[O-])NCc1cc(Cl)cc2c1OCC2 ZINC000277259871 379112392 /nfs/dbraw/zinc/11/23/92/379112392.db2.gz KOOWAASWJQQGOH-JTQLQIEISA-N -1 3 297.782 3.008 20 0 CGADHM CC(C)[C@@H](CNCc1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000277280845 379118019 /nfs/dbraw/zinc/11/80/19/379118019.db2.gz LXRDEZWAPFONAX-LLVKDONJSA-N -1 3 290.190 3.440 20 0 CGADHM COc1cccc(CN[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])c1 ZINC000277463277 379164685 /nfs/dbraw/zinc/16/46/85/379164685.db2.gz VQLOJUUMHGDKPJ-SUMWQHHRSA-N -1 3 299.370 3.247 20 0 CGADHM Cc1ccc(C(=O)N(CC2CCC2)C(C)C)c([O-])c1 ZINC000277800082 379237297 /nfs/dbraw/zinc/23/72/97/379237297.db2.gz WDUDUTMVORBJFC-UHFFFAOYSA-N -1 3 261.365 3.351 20 0 CGADHM Cn1cc([C@H](NCc2cc([O-])cc(F)c2)C(C)(C)C)cn1 ZINC000349670020 379338633 /nfs/dbraw/zinc/33/86/33/379338633.db2.gz QJKLUJWSOJEUPB-HNNXBMFYSA-N -1 3 291.370 3.142 20 0 CGADHM CCSCC[C@@H](C)N(C)C(=O)c1ccc(C)cc1[O-] ZINC000266661732 190274041 /nfs/dbraw/zinc/27/40/41/190274041.db2.gz LVOOBQKNNGDGQG-GFCCVEGCSA-N -1 3 281.421 3.304 20 0 CGADHM O=C(c1csc(=O)[n-]1)N1CCCCC[C@@H]1c1ccco1 ZINC000334710194 296297230 /nfs/dbraw/zinc/29/72/30/296297230.db2.gz QJRHEXZLROZTTP-LLVKDONJSA-N -1 3 292.360 3.199 20 0 CGADHM CCOc1cc(-c2noc([C@H]3[C@H](C)C3(F)F)n2)ccc1[O-] ZINC000350581415 379567029 /nfs/dbraw/zinc/56/70/29/379567029.db2.gz QCOZVLULRSVXQL-WRWORJQWSA-N -1 3 296.273 3.210 20 0 CGADHM CC(C)(C(=O)Nc1cc(Cl)ccc1[O-])C1CCOCC1 ZINC000280001762 379577233 /nfs/dbraw/zinc/57/72/33/379577233.db2.gz HXFBPZWMWPZGDX-UHFFFAOYSA-N -1 3 297.782 3.437 20 0 CGADHM CC[C@@H](Oc1cccc(C)c1)C(=O)[N-]c1onc(C)c1C ZINC000267344455 190322661 /nfs/dbraw/zinc/32/26/61/190322661.db2.gz OHTZELDJGZUATB-CQSZACIVSA-N -1 3 288.347 3.396 20 0 CGADHM C[C@@H]1CC=CC[C@@H]1C(=O)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000351678126 379735870 /nfs/dbraw/zinc/73/58/70/379735870.db2.gz WIAVOXRZDHBEDO-OCCSQVGLSA-N -1 3 281.359 3.039 20 0 CGADHM COc1cc(C)cc(NC(=O)c2cc(C(F)F)[n-]n2)c1C ZINC000640228607 379752600 /nfs/dbraw/zinc/75/26/00/379752600.db2.gz BWZBRTLYXDGEFY-UHFFFAOYSA-N -1 3 295.289 3.225 20 0 CGADHM O=C(Nc1ccc(C2CC2)cc1)c1cc(C(F)F)[n-]n1 ZINC000640059825 379703405 /nfs/dbraw/zinc/70/34/05/379703405.db2.gz PUCMRKZTFOFAKJ-UHFFFAOYSA-N -1 3 277.274 3.477 20 0 CGADHM CCCc1nc(C(=O)Nc2cc(Cl)ccc2[O-])co1 ZINC000352396971 379795625 /nfs/dbraw/zinc/79/56/25/379795625.db2.gz GNJDBGWULNRZTM-UHFFFAOYSA-N -1 3 280.711 3.238 20 0 CGADHM CSCCON=C([O-])Nc1ccc(C)cc1Cl ZINC000280657973 379758547 /nfs/dbraw/zinc/75/85/47/379758547.db2.gz ZYZKHFRXUZWHNK-UHFFFAOYSA-N -1 3 274.773 3.065 20 0 CGADHM CSCCO[N-]C(=O)Nc1ccc(C)cc1Cl ZINC000280657973 379758551 /nfs/dbraw/zinc/75/85/51/379758551.db2.gz ZYZKHFRXUZWHNK-UHFFFAOYSA-N -1 3 274.773 3.065 20 0 CGADHM O=C(Nc1ccc(C2CCC2)cn1)c1cc(C(F)F)[n-]n1 ZINC000640370088 379778163 /nfs/dbraw/zinc/77/81/63/379778163.db2.gz JYIDTSWVOHLSIE-UHFFFAOYSA-N -1 3 292.289 3.262 20 0 CGADHM CC1(CCNC(=O)c2cc([O-])ccc2C(F)(F)F)CC1 ZINC000280761910 379782567 /nfs/dbraw/zinc/78/25/67/379782567.db2.gz LXVHWVAOPPLVRG-UHFFFAOYSA-N -1 3 287.281 3.331 20 0 CGADHM Cc1cccc2c(=O)c(C(=O)N3CCC=C(C)C3)c[n-]c12 ZINC000280781146 379787037 /nfs/dbraw/zinc/78/70/37/379787037.db2.gz NTMINBAZXABUOQ-UHFFFAOYSA-N -1 3 282.343 3.041 20 0 CGADHM Cc1ccc(-c2nnc(NC(=O)c3ccoc3C3CC3)[n-]2)o1 ZINC000282144893 379861634 /nfs/dbraw/zinc/86/16/34/379861634.db2.gz ZVMIFYRLJBROAX-UHFFFAOYSA-N -1 3 298.302 3.096 20 0 CGADHM Cc1ccc(-c2n[n-]c(NC(=O)c3ccoc3C3CC3)n2)o1 ZINC000282144893 379861640 /nfs/dbraw/zinc/86/16/40/379861640.db2.gz ZVMIFYRLJBROAX-UHFFFAOYSA-N -1 3 298.302 3.096 20 0 CGADHM Cc1ccc(-c2nc(NC(=O)c3ccoc3C3CC3)n[n-]2)o1 ZINC000282144893 379861645 /nfs/dbraw/zinc/86/16/45/379861645.db2.gz ZVMIFYRLJBROAX-UHFFFAOYSA-N -1 3 298.302 3.096 20 0 CGADHM CN(C(=O)c1cccc([O-])c1)c1ccc2cc[nH]c2c1 ZINC000352438076 379815063 /nfs/dbraw/zinc/81/50/63/379815063.db2.gz KCLAFNZZGLHRHF-UHFFFAOYSA-N -1 3 266.300 3.150 20 0 CGADHM Cc1cccc([O-])c1NC(=O)c1ccc2c(n1)CCCC2 ZINC000352644754 379888276 /nfs/dbraw/zinc/88/82/76/379888276.db2.gz OOLHYVAPQAUTBM-UHFFFAOYSA-N -1 3 282.343 3.227 20 0 CGADHM COc1ccc(CNCc2c(F)ccc([O-])c2F)c(F)c1 ZINC000352665348 379900820 /nfs/dbraw/zinc/90/08/20/379900820.db2.gz FDFHJPLVOAWCRY-UHFFFAOYSA-N -1 3 297.276 3.108 20 0 CGADHM CSc1cc(CNCc2c(F)ccc([O-])c2F)ccn1 ZINC000352800958 379968022 /nfs/dbraw/zinc/96/80/22/379968022.db2.gz IVIVWMBCNYQTLZ-UHFFFAOYSA-N -1 3 296.342 3.077 20 0 CGADHM Cc1ccc([O-])c(C(=O)N(C)C[C@@H]2CC=CCC2)c1 ZINC000402732277 379971763 /nfs/dbraw/zinc/97/17/63/379971763.db2.gz GWVOCQXQMAWWHK-CYBMUJFWSA-N -1 3 259.349 3.129 20 0 CGADHM Cc1cc(C)c(CNCc2ncccc2[O-])c(C)c1 ZINC000347832905 218371513 /nfs/dbraw/zinc/37/15/13/218371513.db2.gz ULGDXJKNVDAMDL-UHFFFAOYSA-N -1 3 256.349 3.002 20 0 CGADHM C[C@@H]1CCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)[C@@H]1C ZINC000408345977 380005437 /nfs/dbraw/zinc/00/54/37/380005437.db2.gz HHRFWUKJEXXHLO-GHMZBOCLSA-N -1 3 297.358 3.312 20 0 CGADHM C[C@H](NCc1cc([O-])cc(C(F)(F)F)c1)c1ccon1 ZINC000352899083 380026011 /nfs/dbraw/zinc/02/60/11/380026011.db2.gz QATVNXXSDPEIJH-QMMMGPOBSA-N -1 3 286.253 3.250 20 0 CGADHM CCc1cc(NCc2nc(C)ccc2[O-])ccc1F ZINC000352897431 380026247 /nfs/dbraw/zinc/02/62/47/380026247.db2.gz MWIANXZXMUSVBR-UHFFFAOYSA-N -1 3 260.312 3.409 20 0 CGADHM CC(C)c1nnc(C(=O)Nc2cc(Cl)ccc2[O-])s1 ZINC000283548371 380073342 /nfs/dbraw/zinc/07/33/42/380073342.db2.gz UTYUACPKPRQOFO-UHFFFAOYSA-N -1 3 297.767 3.273 20 0 CGADHM CC[C@@H]1CC[C@@H](c2nc(-c3ccc([O-])c(OC)c3)no2)O1 ZINC000268070928 190374858 /nfs/dbraw/zinc/37/48/58/190374858.db2.gz JXOSEQZVNNZQAD-PWSUYJOCSA-N -1 3 290.319 3.081 20 0 CGADHM CC[C@@H]1CC[C@H](c2nc(-c3ccc([O-])cc3)no2)O1 ZINC000268082472 190374907 /nfs/dbraw/zinc/37/49/07/190374907.db2.gz PSCYYZHYXXFDDD-VXGBXAGGSA-N -1 3 260.293 3.072 20 0 CGADHM C[C@H](NCc1cc([O-])cc(F)c1)c1ccc2n[nH]cc2c1 ZINC000353104029 380116719 /nfs/dbraw/zinc/11/67/19/380116719.db2.gz UVUAVALGESEJQN-JTQLQIEISA-N -1 3 285.322 3.258 20 0 CGADHM [O-]c1cc(F)cc(CN[C@H](CO)c2ccc(Cl)cc2)c1 ZINC000353246210 380187129 /nfs/dbraw/zinc/18/71/29/380187129.db2.gz YZPQUVILZUQBSI-OAHLLOKOSA-N -1 3 295.741 3.008 20 0 CGADHM COCCN(Cc1c(F)ccc([O-])c1F)[C@@H]1CC[C@H](C)C1 ZINC000353171303 380153771 /nfs/dbraw/zinc/15/37/71/380153771.db2.gz IAHSOZCVLANQPR-NWDGAFQWSA-N -1 3 299.361 3.307 20 0 CGADHM Cc1ccc([O-])c(CNCc2cnccc2C(C)(C)C)n1 ZINC000414494235 380270636 /nfs/dbraw/zinc/27/06/36/380270636.db2.gz DNQDMYQFPVIQOD-UHFFFAOYSA-N -1 3 285.391 3.078 20 0 CGADHM O=C(Nc1ncccc1[O-])c1[nH]c2ccccc2c1Cl ZINC000354152918 380346566 /nfs/dbraw/zinc/34/65/66/380346566.db2.gz FKGMVBIHOYISEJ-UHFFFAOYSA-N -1 3 287.706 3.174 20 0 CGADHM C[C@H]1C[C@H](C)N(Cc2nc3c4ccccc4oc3c(=O)[n-]2)C1 ZINC000354204347 380362207 /nfs/dbraw/zinc/36/22/07/380362207.db2.gz FLMVVJUQMPKDFS-QWRGUYRKSA-N -1 3 297.358 3.312 20 0 CGADHM Cc1cc(C(=O)NC2(C(F)F)CCCC2)ccc1[O-] ZINC000644559909 380450251 /nfs/dbraw/zinc/45/02/51/380450251.db2.gz CWOKSCQAIOBXOJ-UHFFFAOYSA-N -1 3 269.291 3.008 20 0 CGADHM Cc1cc(C(=O)N[C@H]2CSc3ccccc32)ccc1[O-] ZINC000354732118 380543220 /nfs/dbraw/zinc/54/32/20/380543220.db2.gz PYMCUWFFJVUEDX-ZDUSSCGKSA-N -1 3 285.368 3.277 20 0 CGADHM Cc1ccc(F)cc1NCc1cc(=O)[n-]c(C2CC2)n1 ZINC000417000678 380558496 /nfs/dbraw/zinc/55/84/96/380558496.db2.gz YZEOTXCUHNCINX-UHFFFAOYSA-N -1 3 273.311 3.119 20 0 CGADHM Cc1cccc(C)c1NCc1cc(=O)[n-]c(C2CC2)n1 ZINC000417001553 380558975 /nfs/dbraw/zinc/55/89/75/380558975.db2.gz MXGQQILTGRJUGC-UHFFFAOYSA-N -1 3 269.348 3.289 20 0 CGADHM O=C([O-])C[C@H](CNCc1ccco1)c1ccc(Cl)cc1 ZINC000417535472 380634468 /nfs/dbraw/zinc/63/44/68/380634468.db2.gz CIRUFAMPEKIRQO-GFCCVEGCSA-N -1 3 293.750 3.281 20 0 CGADHM CCCc1csc(CNC[C@H](CC(=O)[O-])CC(C)C)n1 ZINC000417545357 380635231 /nfs/dbraw/zinc/63/52/31/380635231.db2.gz JJTUGUPNGLWWEI-LBPRGKRZSA-N -1 3 298.452 3.322 20 0 CGADHM Cc1cc(F)c(CNCCC[C@H](C)C(=O)[O-])c(Cl)c1 ZINC000417555073 380636297 /nfs/dbraw/zinc/63/62/97/380636297.db2.gz DMKRVJQCVXQPST-JTQLQIEISA-N -1 3 287.762 3.378 20 0 CGADHM C[C@H](CNCc1ccc(-c2cccc(F)c2F)o1)C(=O)[O-] ZINC000417585505 380644898 /nfs/dbraw/zinc/64/48/98/380644898.db2.gz PDLGGNSMBCEWOH-SECBINFHSA-N -1 3 295.285 3.035 20 0 CGADHM CC(C)C[C@@H](CCO)CNCc1cccc([O-])c1Cl ZINC000645159821 380598062 /nfs/dbraw/zinc/59/80/62/380598062.db2.gz UUAVGVPQOAHTTC-GFCCVEGCSA-N -1 3 285.815 3.180 20 0 CGADHM CCOc1cccc(CNCc2ccc(C(=O)[O-])c(C)c2)c1 ZINC000417669529 380663510 /nfs/dbraw/zinc/66/35/10/380663510.db2.gz MKTNSSXZLNTLLC-UHFFFAOYSA-N -1 3 299.370 3.382 20 0 CGADHM COc1ccc(CN[C@H](CC2CCC2)C(=O)[O-])c(Cl)c1 ZINC000417697341 380666389 /nfs/dbraw/zinc/66/63/89/380666389.db2.gz DOPRPIRXDBLBST-CQSZACIVSA-N -1 3 297.782 3.082 20 0 CGADHM Cc1ccccc1CN[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC000417612117 380650524 /nfs/dbraw/zinc/65/05/24/380650524.db2.gz BKIOXSCJAMHZCD-DLBZAZTESA-N -1 3 281.355 3.398 20 0 CGADHM Cc1cc2cc(CN[C@H]3C=C[C@H](C(=O)[O-])C3)oc2cc1C ZINC000417620342 380654705 /nfs/dbraw/zinc/65/47/05/380654705.db2.gz LJMBJGCUIWSJCI-JSGCOSHPSA-N -1 3 285.343 3.169 20 0 CGADHM C[C@@H](CNCc1cc(C(F)(F)F)ccc1F)CC(=O)[O-] ZINC000417620875 380655119 /nfs/dbraw/zinc/65/51/19/380655119.db2.gz LZCPFYOJWJWSAK-MRVPVSSYSA-N -1 3 293.260 3.045 20 0 CGADHM CC(C)=CCSC[C@H](NCc1ccccc1F)C(=O)[O-] ZINC000417631688 380658323 /nfs/dbraw/zinc/65/83/23/380658323.db2.gz WAKMUIHSVUVTAK-AWEZNQCLSA-N -1 3 297.395 3.068 20 0 CGADHM CC(C)=CCSC[C@H](NCc1cccc(F)c1)C(=O)[O-] ZINC000417634024 380659631 /nfs/dbraw/zinc/65/96/31/380659631.db2.gz YQCTWSXQSVBHNK-AWEZNQCLSA-N -1 3 297.395 3.068 20 0 CGADHM Cc1cccc2cc(S(=O)(=O)[N-]C3CCC3)sc21 ZINC000645751659 380725150 /nfs/dbraw/zinc/72/51/50/380725150.db2.gz LJUPJUGOMCIDJI-UHFFFAOYSA-N -1 3 281.402 3.041 20 0 CGADHM C[C@@H]1C[C@@H](C)[C@@H](C)N(Cc2nc(=O)c3sccc3[n-]2)C1 ZINC000355789051 380778633 /nfs/dbraw/zinc/77/86/33/380778633.db2.gz URLFCDADWMRGOU-GMTAPVOTSA-N -1 3 291.420 3.263 20 0 CGADHM COc1ccc2nc(SCc3ccccc3)[n-]c(=O)c2c1 ZINC000195223275 542279600 /nfs/dbraw/zinc/27/96/00/542279600.db2.gz VIUJMCUBLZWEIK-UHFFFAOYSA-N -1 3 298.367 3.224 20 0 CGADHM CCC(=O)N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1 ZINC000357054386 381013197 /nfs/dbraw/zinc/01/31/97/381013197.db2.gz RBEWPTHQUHYJEA-UHFFFAOYSA-N -1 3 284.146 3.154 20 0 CGADHM CCO[C@H]1C[C@H](NC(=O)c2cccc([O-])c2)C1(CC)CC ZINC000357307249 381099616 /nfs/dbraw/zinc/09/96/16/381099616.db2.gz OVHKCUXMJDHWNT-GJZGRUSLSA-N -1 3 291.391 3.106 20 0 CGADHM Cc1ccc2c(CCNC(=O)c3cccc([O-])c3)c[nH]c2c1 ZINC000357322453 381103406 /nfs/dbraw/zinc/10/34/06/381103406.db2.gz IFJTWKZBIPBDIS-UHFFFAOYSA-N -1 3 294.354 3.154 20 0 CGADHM CCC[C@@H](C)[C@H]1CCCN1Cc1nc(CC)cc(=O)[n-]1 ZINC000362968393 382169693 /nfs/dbraw/zinc/16/96/93/382169693.db2.gz YSRHHRFRDBWFSI-TZMCWYRMSA-N -1 3 277.412 3.145 20 0 CGADHM Cc1ccc(CN2CCCC[C@@H]2CC(=O)[O-])c(Cl)c1 ZINC000235872077 542313977 /nfs/dbraw/zinc/31/39/77/542313977.db2.gz UOLNDWNBBGNOFP-CYBMUJFWSA-N -1 3 281.783 3.478 20 0 CGADHM C=CCCCCCN1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000236441199 542315279 /nfs/dbraw/zinc/31/52/79/542315279.db2.gz BAFWANOGINHMGY-MRXNPFEDSA-N -1 3 273.376 3.417 20 0 CGADHM CN(Cc1ccccc1Cl)Cc1ncccc1[O-] ZINC000573526031 322392830 /nfs/dbraw/zinc/39/28/30/322392830.db2.gz QWLFNIXFIBHXON-UHFFFAOYSA-N -1 3 262.740 3.073 20 0 CGADHM COc1ccccc1[C@@H](NCc1cc(C)cc(C)c1)C(=O)[O-] ZINC000426815607 532980233 /nfs/dbraw/zinc/98/02/33/532980233.db2.gz GJLZFIQTRXPZQT-QGZVFWFLSA-N -1 3 299.370 3.228 20 0 CGADHM O=C(N[C@H]1CC[C@@H](F)C1)c1cc([O-])ccc1C(F)(F)F ZINC000335315637 208174625 /nfs/dbraw/zinc/17/46/25/208174625.db2.gz HIYRWRSYFYVPTO-SFYZADRCSA-N -1 3 291.244 3.031 20 0 CGADHM O=C(c1ccc(O)cc1[O-])N1CCCC[C@H]1c1ccccc1 ZINC000273817128 542370217 /nfs/dbraw/zinc/37/02/17/542370217.db2.gz CCUMHBQZNULLIS-INIZCTEOSA-N -1 3 297.354 3.465 20 0 CGADHM COC[C@H](NC(=O)c1ccc(C)c(C)c1[O-])c1ccccc1 ZINC000436568857 533079300 /nfs/dbraw/zinc/07/93/00/533079300.db2.gz WSPLBSMNDNRLGR-INIZCTEOSA-N -1 3 299.370 3.127 20 0 CGADHM CCOC[C@H]1CCN(C(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000280351363 542381185 /nfs/dbraw/zinc/38/11/85/542381185.db2.gz KNLLVLIWOSSWMG-ZDUSSCGKSA-N -1 3 299.370 3.044 20 0 CGADHM Cc1ncc(CN(C)Cc2c(F)ccc([O-])c2F)s1 ZINC000350511622 219031634 /nfs/dbraw/zinc/03/16/34/219031634.db2.gz GSDURBQNJXKRNW-UHFFFAOYSA-N -1 3 284.331 3.067 20 0 CGADHM CCC(CC)N(CC)C(=O)c1cc(OC)ccc1[O-] ZINC000289215069 197264946 /nfs/dbraw/zinc/26/49/46/197264946.db2.gz WLBBWMDVCCHKLJ-UHFFFAOYSA-N -1 3 265.353 3.052 20 0 CGADHM C[C@H]([N-]C(=O)C(C)(F)F)c1cccc(OC(F)F)c1 ZINC000288576679 197117779 /nfs/dbraw/zinc/11/77/79/197117779.db2.gz NLVXGNWOWRJOKH-ZETCQYMHSA-N -1 3 279.233 3.120 20 0 CGADHM COc1ccc(NC(=O)Cc2ccc(Cl)s2)c([O-])c1 ZINC000338211006 542483651 /nfs/dbraw/zinc/48/36/51/542483651.db2.gz WRRAHVVOCZNTLB-UHFFFAOYSA-N -1 3 297.763 3.297 20 0 CGADHM Cc1ccc(NC(=O)c2cc([O-])c3ccccc3c2)c(=O)[nH]1 ZINC000355803267 542568387 /nfs/dbraw/zinc/56/83/87/542568387.db2.gz IRVMXKVLAJSTRQ-UHFFFAOYSA-N -1 3 294.310 3.207 20 0 CGADHM [O-]c1ccc(-c2noc([C@@H]3CCCSC3)n2)cc1 ZINC000333083575 285383383 /nfs/dbraw/zinc/38/33/83/285383383.db2.gz RATAUBCSXJHILK-SNVBAGLBSA-N -1 3 262.334 3.053 20 0 CGADHM COc1ccc2c(c1NC(=O)c1cc(C)ccc1[O-])CCC2 ZINC000436545127 533319027 /nfs/dbraw/zinc/31/90/27/533319027.db2.gz MNYVSFCYFAFIDS-UHFFFAOYSA-N -1 3 297.354 3.450 20 0 CGADHM COc1ccc2c(c1NC(=O)c1cccc(C)c1[O-])CCC2 ZINC000436549039 533319091 /nfs/dbraw/zinc/31/90/91/533319091.db2.gz WBDUFEFCRKBAPA-UHFFFAOYSA-N -1 3 297.354 3.450 20 0 CGADHM COc1cccc(C(=O)NC(C)(C)c2ccccc2C)c1[O-] ZINC000436599322 533404762 /nfs/dbraw/zinc/40/47/62/533404762.db2.gz XHQVBCKEDWQPBU-UHFFFAOYSA-N -1 3 299.370 3.374 20 0 CGADHM CSCCCSCc1noc(-c2ccccc2[O-])n1 ZINC000413007056 533574810 /nfs/dbraw/zinc/57/48/10/533574810.db2.gz HUKOKBLIDJZOPE-UHFFFAOYSA-N -1 3 296.417 3.429 20 0 CGADHM Cc1ccc(C(=O)N[C@H]2C[C@H]2c2cccc(F)c2)c([O-])c1 ZINC000436531331 533602838 /nfs/dbraw/zinc/60/28/38/533602838.db2.gz HDUANWAJBPALLV-GJZGRUSLSA-N -1 3 285.318 3.126 20 0 CGADHM COc1cc(C(=O)NC[C@@H]2CCC[C@H](C)[C@H]2C)ccc1[O-] ZINC000435931724 533538914 /nfs/dbraw/zinc/53/89/14/533538914.db2.gz ZGXWZLWYLNVSIZ-SCRDCRAPSA-N -1 3 291.391 3.203 20 0 CGADHM Cc1ccc(C(=O)Nc2ccc(OC(C)C)nc2)c([O-])c1 ZINC000436823559 533610432 /nfs/dbraw/zinc/61/04/32/533610432.db2.gz BRQNDUHFZGFQHR-UHFFFAOYSA-N -1 3 286.331 3.135 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)c2ccsc2)c(F)c1 ZINC000404920571 542625090 /nfs/dbraw/zinc/62/50/90/542625090.db2.gz HLBJPIFKUBQSBH-JTQLQIEISA-N -1 3 299.392 3.235 20 0 CGADHM Cc1ccc(CN2C[C@@H](C(=O)[O-])CC[C@H]2C)c(Cl)c1 ZINC000397514830 542617739 /nfs/dbraw/zinc/61/77/39/542617739.db2.gz ZPOVFDBHEAKDTR-YPMHNXCESA-N -1 3 281.783 3.334 20 0 CGADHM Cc1ccc(F)c(S(=O)(=O)[N-]CCC2=CCCCC2)c1 ZINC000032402328 391968900 /nfs/dbraw/zinc/96/89/00/391968900.db2.gz ZSEQKCUPHOBDRU-UHFFFAOYSA-N -1 3 297.395 3.303 20 0 CGADHM Cc1c2cc(F)ccc2sc1C(=O)[N-]c1nncs1 ZINC000048939076 392027788 /nfs/dbraw/zinc/02/77/88/392027788.db2.gz PODXAFFOLUZJQM-UHFFFAOYSA-N -1 3 293.348 3.453 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C)c(O)c2)c(C)c1 ZINC000070332892 392181121 /nfs/dbraw/zinc/18/11/21/392181121.db2.gz TZFTWBOMMRUYSF-UHFFFAOYSA-N -1 3 291.372 3.118 20 0 CGADHM COc1ccc(NC(=O)CCCc2ccccc2)c([O-])c1 ZINC000443569387 542666525 /nfs/dbraw/zinc/66/65/25/542666525.db2.gz UXZUXIKYEDVVLN-UHFFFAOYSA-N -1 3 285.343 3.362 20 0 CGADHM COc1ccc(NC(=O)c2cc3ccc(C)cc3[nH]2)c([O-])c1 ZINC000443566343 542666857 /nfs/dbraw/zinc/66/68/57/542666857.db2.gz LTHMOWYUPIZEOQ-UHFFFAOYSA-N -1 3 296.326 3.443 20 0 CGADHM COc1ccc(NC(=O)C[C@H]2CCC[C@H]2C)c([O-])c1 ZINC000443560067 542667226 /nfs/dbraw/zinc/66/72/26/542667226.db2.gz OTHQCAVUOUOQRP-GHMZBOCLSA-N -1 3 263.337 3.166 20 0 CGADHM CC[C@H](CC(F)F)C(=O)Nc1ccc(OC)cc1[O-] ZINC000457731864 542690832 /nfs/dbraw/zinc/69/08/32/542690832.db2.gz KTLDWHWASJYMDT-MRVPVSSYSA-N -1 3 273.279 3.021 20 0 CGADHM COc1ccc(NC(=O)C2CC(C(C)(C)C)C2)c([O-])c1 ZINC000457738098 542690905 /nfs/dbraw/zinc/69/09/05/542690905.db2.gz QMKRSIABFHVYOF-UHFFFAOYSA-N -1 3 277.364 3.412 20 0 CGADHM Cc1ccccc1[C@@]1(F)CCN(C(=O)c2ccccc2[O-])C1 ZINC000367057529 392463602 /nfs/dbraw/zinc/46/36/02/392463602.db2.gz KLPIWQPNZVFEQY-GOSISDBHSA-N -1 3 299.345 3.412 20 0 CGADHM Cc1ccccc1[C@]1(F)CCN(C(=O)c2ccccc2[O-])C1 ZINC000367057530 392463714 /nfs/dbraw/zinc/46/37/14/392463714.db2.gz KLPIWQPNZVFEQY-SFHVURJKSA-N -1 3 299.345 3.412 20 0 CGADHM CC(C)C[C@@H]1C[C@@H](NCc2c(F)ccc([O-])c2F)CCO1 ZINC000293758964 392527036 /nfs/dbraw/zinc/52/70/36/392527036.db2.gz YVCCYYVLFKBWIL-NWDGAFQWSA-N -1 3 299.361 3.354 20 0 CGADHM O=C(NCc1ccoc1)c1cc([O-])c2ccccc2c1 ZINC000471876481 542701895 /nfs/dbraw/zinc/70/18/95/542701895.db2.gz MVIRBBNITTUOHP-UHFFFAOYSA-N -1 3 267.284 3.068 20 0 CGADHM C[C@H](CC(=O)Nc1ncccc1[O-])c1ccc(F)cc1F ZINC000161685810 392584340 /nfs/dbraw/zinc/58/43/40/392584340.db2.gz LVOWTYFBSVOGQS-SECBINFHSA-N -1 3 292.285 3.198 20 0 CGADHM [O-]c1cccc(CNCC2(C3CC3)CC2)c1Br ZINC000315717785 392669782 /nfs/dbraw/zinc/66/97/82/392669782.db2.gz MVJNKTLHDMNBSE-UHFFFAOYSA-N -1 3 296.208 3.435 20 0 CGADHM CC(C)CCCCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000457408831 392637175 /nfs/dbraw/zinc/63/71/75/392637175.db2.gz XAUWXLULDZYGCG-UHFFFAOYSA-N -1 3 287.367 3.022 20 0 CGADHM CC(C)CCCCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000457408831 392637182 /nfs/dbraw/zinc/63/71/82/392637182.db2.gz XAUWXLULDZYGCG-UHFFFAOYSA-N -1 3 287.367 3.022 20 0 CGADHM CC[C@H](NCc1cc(C(F)(F)F)ccc1Cl)C(=O)[O-] ZINC000647466450 392729088 /nfs/dbraw/zinc/72/90/88/392729088.db2.gz BFKOTYULRIIKNB-JTQLQIEISA-N -1 3 295.688 3.312 20 0 CGADHM CCc1cc(=O)[n-]c(CN[C@H](C)[C@H](C)c2ccccc2)n1 ZINC000181526958 392733898 /nfs/dbraw/zinc/73/38/98/392733898.db2.gz FRHSUJPGBGWMLB-QWHCGFSZSA-N -1 3 285.391 3.026 20 0 CGADHM C[C@H](c1ccc(F)cc1F)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000647368265 392710268 /nfs/dbraw/zinc/71/02/68/392710268.db2.gz OZIGWXBKBVYPIH-GIPNMCIBSA-N -1 3 283.318 3.068 20 0 CGADHM CC(C)(C)c1ccc(NC(=O)C2(O)CCCCC2)c([O-])c1 ZINC000506221978 392717111 /nfs/dbraw/zinc/71/71/11/392717111.db2.gz CEDXFPJGLLNKIX-UHFFFAOYSA-N -1 3 291.391 3.323 20 0 CGADHM C[C@@H]1CCN(C(=O)c2cc(C3CC3)[nH]n2)c2c([O-])cccc21 ZINC000186267097 392780674 /nfs/dbraw/zinc/78/06/74/392780674.db2.gz XXZOXOPPGICPNL-SNVBAGLBSA-N -1 3 297.358 3.147 20 0 CGADHM C[C@@H](C(=O)N1CC[C@H](C)c2cccc([O-])c21)C(F)(F)F ZINC000335272528 392786073 /nfs/dbraw/zinc/78/60/73/392786073.db2.gz HKYHBIRDJFIGDS-IUCAKERBSA-N -1 3 287.281 3.431 20 0 CGADHM Cc1cccc(C(=O)N[C@H](C)CCCc2cccnc2)c1[O-] ZINC000457913913 392798242 /nfs/dbraw/zinc/79/82/42/392798242.db2.gz QIPDLJBPKSKPDN-CQSZACIVSA-N -1 3 298.386 3.237 20 0 CGADHM [O-]c1ccc(F)c(CN[C@@H]2C[C@@H]2Cc2ccccc2)c1F ZINC000511145222 392829859 /nfs/dbraw/zinc/82/98/59/392829859.db2.gz LNJXBSYETXLPRY-SWLSCSKDSA-N -1 3 289.325 3.391 20 0 CGADHM Cc1ccc(Oc2ccc(NC(=O)c3cnn[n-]3)cc2)cc1 ZINC000194120530 392903837 /nfs/dbraw/zinc/90/38/37/392903837.db2.gz KKFSMQJWHAIGSL-UHFFFAOYSA-N -1 3 294.314 3.158 20 0 CGADHM Cc1ccc(Oc2ccc(NC(=O)c3c[n-]nn3)cc2)cc1 ZINC000194120530 392903843 /nfs/dbraw/zinc/90/38/43/392903843.db2.gz KKFSMQJWHAIGSL-UHFFFAOYSA-N -1 3 294.314 3.158 20 0 CGADHM Cc1ccc(Oc2ccc(NC(=O)c3cn[n-]n3)cc2)cc1 ZINC000194120530 392903851 /nfs/dbraw/zinc/90/38/51/392903851.db2.gz KKFSMQJWHAIGSL-UHFFFAOYSA-N -1 3 294.314 3.158 20 0 CGADHM O=C([O-])c1cnc2ccccc2c1N1CCC2(CCC2)C1 ZINC000380426795 392904558 /nfs/dbraw/zinc/90/45/58/392904558.db2.gz TUQDZUVTNNGTIF-UHFFFAOYSA-N -1 3 282.343 3.313 20 0 CGADHM CC[C@H]1CCN(Cc2cccc(C(=O)[O-])c2Cl)C1 ZINC000381981763 392917175 /nfs/dbraw/zinc/91/71/75/392917175.db2.gz WQJSGLHKIFVGTD-JTQLQIEISA-N -1 3 267.756 3.270 20 0 CGADHM O=c1[n-]c(-c2ccc(F)c(Cl)c2)nc2cccnc12 ZINC000491605707 542718245 /nfs/dbraw/zinc/71/82/45/542718245.db2.gz YKONZMFPAUTOBE-UHFFFAOYSA-N -1 3 275.670 3.190 20 0 CGADHM C[C@@H]1C[C@@H](C)N(C(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000527466498 542742522 /nfs/dbraw/zinc/74/25/22/542742522.db2.gz PMYUPNZBUSAMCB-VXGBXAGGSA-N -1 3 269.344 3.416 20 0 CGADHM C[C@@H](CNC(=O)c1cc([O-])c2ccccc2c1)C(F)(F)F ZINC000527460356 542742633 /nfs/dbraw/zinc/74/26/33/542742633.db2.gz DKJQRFYLQHNNRY-VIFPVBQESA-N -1 3 297.276 3.474 20 0 CGADHM Cc1ccc2c(c1)[C@H](NC(=O)Cc1ccc([O-])c(F)c1)CC2 ZINC000648283220 392958203 /nfs/dbraw/zinc/95/82/03/392958203.db2.gz GUBWSSNIRHPNND-MRXNPFEDSA-N -1 3 299.345 3.186 20 0 CGADHM Cc1cccc(C(=O)NCCO[C@H]2CCCC[C@H]2C)c1[O-] ZINC000195594312 392971566 /nfs/dbraw/zinc/97/15/66/392971566.db2.gz QHDCKAWKZXUIJE-DOMZBBRYSA-N -1 3 291.391 3.026 20 0 CGADHM CC(C)[C@H]([N-]C(=O)C(F)F)c1ccc(Cl)cc1 ZINC000219779451 393001777 /nfs/dbraw/zinc/00/17/77/393001777.db2.gz PXYXWNMJFHHRQA-JTQLQIEISA-N -1 3 261.699 3.418 20 0 CGADHM CCc1cccc(-c2nc([C@H]3CCO[C@@H](C)C3)no2)c1[O-] ZINC000547213005 393099751 /nfs/dbraw/zinc/09/97/51/393099751.db2.gz LRPCXHGSSNOBCI-JQWIXIFHSA-N -1 3 288.347 3.287 20 0 CGADHM COCC(C)(C)N(C)C(=O)c1cc([O-])c2ccccc2c1 ZINC000345448777 393055115 /nfs/dbraw/zinc/05/51/15/393055115.db2.gz BJRZVHCQYAFSQV-UHFFFAOYSA-N -1 3 287.359 3.042 20 0 CGADHM C[C@H]1C[C@H](C)N1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000548098688 393173867 /nfs/dbraw/zinc/17/38/67/393173867.db2.gz XCNRPTWBAJLVSR-UWVGGRQHSA-N -1 3 283.331 3.064 20 0 CGADHM CCN(CC(C)C)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000468316047 393134377 /nfs/dbraw/zinc/13/43/77/393134377.db2.gz MCSKZAZJDDPLEO-UHFFFAOYSA-N -1 3 281.371 3.359 20 0 CGADHM C[C@@H]1CCN(C(=O)CCCc2ccc([O-])c(F)c2)C[C@@H]1C ZINC000469823183 393218016 /nfs/dbraw/zinc/21/80/16/393218016.db2.gz UWLOWFZQUANWHU-OLZOCXBDSA-N -1 3 293.382 3.359 20 0 CGADHM C[C@H]1CN(C(=O)CCCc2ccc([O-])c(F)c2)CC[C@@H]1C ZINC000469823185 393218600 /nfs/dbraw/zinc/21/86/00/393218600.db2.gz UWLOWFZQUANWHU-STQMWFEESA-N -1 3 293.382 3.359 20 0 CGADHM C[C@H]1COc2ccccc2CN1Cc1cc([O-])cc(F)c1 ZINC000351981021 393198541 /nfs/dbraw/zinc/19/85/41/393198541.db2.gz IWSHDFCKNTXQAA-LBPRGKRZSA-N -1 3 287.334 3.314 20 0 CGADHM Cc1c(NCc2cc([O-])cc(C(F)(F)F)c2)cnn1C ZINC000352836365 393211455 /nfs/dbraw/zinc/21/14/55/393211455.db2.gz KMSDEXASBHDPEX-UHFFFAOYSA-N -1 3 285.269 3.065 20 0 CGADHM [O-]c1cccnc1CNCc1ccc(Cl)c(Cl)c1 ZINC000355289491 393293275 /nfs/dbraw/zinc/29/32/75/393293275.db2.gz KSNWYYJYTGCPJC-UHFFFAOYSA-N -1 3 283.158 3.384 20 0 CGADHM C[C@@H]1CN(C(=O)Cc2ccc([O-])cc2Cl)[C@@H](C)[C@H]1C ZINC000416327871 393302337 /nfs/dbraw/zinc/30/23/37/393302337.db2.gz YRTLVBYIVWHZQC-VWYCJHECSA-N -1 3 281.783 3.091 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CCC(C3CC3)CC2)c1 ZINC000646765099 393321713 /nfs/dbraw/zinc/32/17/13/393321713.db2.gz LGJUNLFHSOQORR-UHFFFAOYSA-N -1 3 273.376 3.217 20 0 CGADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1C[C@@H]2CCC[C@@H]2C1 ZINC000646903445 393328500 /nfs/dbraw/zinc/32/85/00/393328500.db2.gz OGDXBOXZQJKYOK-AOOOYVTPSA-N -1 3 299.292 3.283 20 0 CGADHM CCC1(CNC(=O)c2cc([O-])cc(C(F)(F)F)c2)CC1 ZINC000646899218 393328556 /nfs/dbraw/zinc/32/85/56/393328556.db2.gz YVCLCWBPGOZNIK-UHFFFAOYSA-N -1 3 287.281 3.331 20 0 CGADHM Cc1cc[nH]c1C(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000281262285 393349338 /nfs/dbraw/zinc/34/93/38/393349338.db2.gz KNPGJWAXMKLOFL-JTQLQIEISA-N -1 3 270.332 3.183 20 0 CGADHM O=C(NCC1CCC(F)CC1)c1cc([O-])ccc1Cl ZINC000649148763 393360279 /nfs/dbraw/zinc/36/02/79/393360279.db2.gz WZVUAKOSCJFOAN-UHFFFAOYSA-N -1 3 285.746 3.304 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000649228923 393376380 /nfs/dbraw/zinc/37/63/80/393376380.db2.gz FWWJKPNWLIBFCI-DMDPSCGWSA-N -1 3 277.412 3.274 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@@H](C)c1ccsc1 ZINC000649230914 393379074 /nfs/dbraw/zinc/37/90/74/393379074.db2.gz ACUMIWSTGRUGDB-VIFPVBQESA-N -1 3 277.393 3.067 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@@H](C)c1cccs1 ZINC000649230961 393379545 /nfs/dbraw/zinc/37/95/45/393379545.db2.gz BIPZQIQMMIHRFG-VIFPVBQESA-N -1 3 277.393 3.067 20 0 CGADHM C[C@H](CSCc1cc(=O)[n-]c(C2CC2)n1)C(F)(F)F ZINC000419439626 393380042 /nfs/dbraw/zinc/38/00/42/393380042.db2.gz HHPOWTPBVRSCGZ-SSDOTTSWSA-N -1 3 292.326 3.491 20 0 CGADHM CC(C)(C)C[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000429814346 393504322 /nfs/dbraw/zinc/50/43/22/393504322.db2.gz LXFCPFFLAXVPDJ-UHFFFAOYSA-N -1 3 296.219 3.318 20 0 CGADHM CC[C@@H]1CCN1Cc1cc([O-])cc(C(F)(F)F)c1 ZINC000430193940 393536731 /nfs/dbraw/zinc/53/67/31/393536731.db2.gz HKFJYLWOPGWKDG-LLVKDONJSA-N -1 3 259.271 3.395 20 0 CGADHM CC(C)(C)c1ccc([N-]S(=O)(=O)CCC2CC2)c(O)c1 ZINC000443529528 393761866 /nfs/dbraw/zinc/76/18/66/393761866.db2.gz LXMGNJUGLREDFQ-UHFFFAOYSA-N -1 3 297.420 3.232 20 0 CGADHM CCC[C@@H](NCc1cnc(C)[n-]c1=O)c1ccsc1 ZINC000443101117 393744135 /nfs/dbraw/zinc/74/41/35/393744135.db2.gz CJDDERDPGUNQFX-CYBMUJFWSA-N -1 3 277.393 3.183 20 0 CGADHM CCCc1ccccc1NC(=O)/C=C\c1cncc([O-])c1 ZINC000492518454 393748419 /nfs/dbraw/zinc/74/84/19/393748419.db2.gz GSCKCDRHVJZAKQ-HJWRWDBZSA-N -1 3 282.343 3.392 20 0 CGADHM COc1cc(C(=O)N[C@H]2CCC(C)(C)C[C@H]2C)ccc1[O-] ZINC000443297685 393750808 /nfs/dbraw/zinc/75/08/08/393750808.db2.gz RDNHEBKTEZGWFH-YPMHNXCESA-N -1 3 291.391 3.345 20 0 CGADHM Cc1ccc(C(=O)N2Cc3ccccc3[C@H]2C)c([O-])c1 ZINC000436580651 393717418 /nfs/dbraw/zinc/71/74/18/393717418.db2.gz CKSNLJPDENWVGF-GFCCVEGCSA-N -1 3 267.328 3.418 20 0 CGADHM Cc1ccc([O-])c(C(=O)N[C@H](CC(F)(F)F)C(C)C)c1 ZINC000438620464 393728567 /nfs/dbraw/zinc/72/85/67/393728567.db2.gz GTPOHUWTZPYYMO-LLVKDONJSA-N -1 3 289.297 3.407 20 0 CGADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCC[C@H]2C)sc1Cl ZINC000499689854 393804208 /nfs/dbraw/zinc/80/42/08/393804208.db2.gz JONQLSISCHPDNN-VXNVDRBHSA-N -1 3 293.841 3.177 20 0 CGADHM Cc1cc(C(=O)NCCC2Cc3ccccc3C2)ccc1[O-] ZINC000500324212 393824598 /nfs/dbraw/zinc/82/45/98/393824598.db2.gz CLUQIKWHAVRVRR-UHFFFAOYSA-N -1 3 295.382 3.236 20 0 CGADHM CCc1ccc([O-])c(C(=O)NCCCOc2ccccc2)c1 ZINC000500424626 393828278 /nfs/dbraw/zinc/82/82/78/393828278.db2.gz RTXPJAIDUUVIOZ-UHFFFAOYSA-N -1 3 299.370 3.154 20 0 CGADHM CC1(C)CCCC[C@H]1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000447440510 393864994 /nfs/dbraw/zinc/86/49/94/393864994.db2.gz NANWWLODSZKRAY-ZDUSSCGKSA-N -1 3 299.378 3.022 20 0 CGADHM CC1(C)CCCC[C@H]1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000447440510 393864995 /nfs/dbraw/zinc/86/49/95/393864995.db2.gz NANWWLODSZKRAY-ZDUSSCGKSA-N -1 3 299.378 3.022 20 0 CGADHM CCC1(CC)CCN(C(=O)Cc2ccc([O-])c(F)c2)C1 ZINC000450089803 393975973 /nfs/dbraw/zinc/97/59/73/393975973.db2.gz KZGHHMXMOSKMDT-UHFFFAOYSA-N -1 3 279.355 3.113 20 0 CGADHM C[C@H]1CC[C@@]2(CCN(C(=O)Cc3ccc([O-])c(F)c3)C2)C1 ZINC000450526961 394010624 /nfs/dbraw/zinc/01/06/24/394010624.db2.gz XCDYHNPREWIFPT-YVEFUNNKSA-N -1 3 291.366 3.113 20 0 CGADHM CCN=c1[n-]c(C(=O)N2CCC[C@]2(C)CC(C)C)cs1 ZINC000452515884 394075789 /nfs/dbraw/zinc/07/57/89/394075789.db2.gz VRKOUYSTKGKKBI-OAHLLOKOSA-N -1 3 295.452 3.038 20 0 CGADHM CC[C@H](C)[C@@H](CN=c1[n-]cc(C(F)(F)F)s1)OC ZINC000450615338 394031360 /nfs/dbraw/zinc/03/13/60/394031360.db2.gz BVHATHMYVQFRBN-JGVFFNPUSA-N -1 3 282.331 3.057 20 0 CGADHM O=C(NCC[C@@H]1CCc2ccccc21)c1cccc([O-])c1 ZINC000452735472 394108838 /nfs/dbraw/zinc/10/88/38/394108838.db2.gz XPIGNTNUDYFZQP-AWEZNQCLSA-N -1 3 281.355 3.242 20 0 CGADHM C[C@@H](CC(C)(C)C)NC(=O)c1c[n-]nc1-c1ccccn1 ZINC000457189676 394327291 /nfs/dbraw/zinc/32/72/91/394327291.db2.gz IIVOQAJCOKJLLM-NSHDSACASA-N -1 3 286.379 3.026 20 0 CGADHM COc1cc(C(=O)N[C@]2(C)CCCC[C@@H]2C)ccc1[O-] ZINC000457274414 394340106 /nfs/dbraw/zinc/34/01/06/394340106.db2.gz VTJWAFKDIBKGDC-MEDUHNTESA-N -1 3 277.364 3.099 20 0 CGADHM CCCCOc1ccc(C(=O)N2CC(CC)C2)c([O-])c1 ZINC000457280896 394340784 /nfs/dbraw/zinc/34/07/84/394340784.db2.gz RSKXLVKWKMOXLJ-UHFFFAOYSA-N -1 3 277.364 3.053 20 0 CGADHM CCN(CC(F)(F)F)C(=O)c1cc(SC)ccc1[O-] ZINC000667686852 542917039 /nfs/dbraw/zinc/91/70/39/542917039.db2.gz STFUKOOIRLRCRI-UHFFFAOYSA-N -1 3 293.310 3.139 20 0 CGADHM CSc1ccc([O-])c(C(=O)N2CCC(C)(C)CC2)c1 ZINC000667985538 542954149 /nfs/dbraw/zinc/95/41/49/542954149.db2.gz YMAPPVDZHNYHAX-UHFFFAOYSA-N -1 3 279.405 3.376 20 0 CGADHM Cc1ccc(C(=O)N2Cc3ccccc3CO2)c([O-])c1C ZINC000436741569 292070105 /nfs/dbraw/zinc/07/01/05/292070105.db2.gz TUDMMFZFSUAKGL-UHFFFAOYSA-N -1 3 283.327 3.097 20 0 CGADHM O=C([N-]c1ncc(-c2ccccc2F)s1)c1cnco1 ZINC000670144967 543141764 /nfs/dbraw/zinc/14/17/64/543141764.db2.gz LHGUFXSIKVZCFD-UHFFFAOYSA-N -1 3 289.291 3.190 20 0 CGADHM Cc1ccc([O-])c(CN(C)C(C)(C)c2ccccc2)n1 ZINC000671309327 543169716 /nfs/dbraw/zinc/16/97/16/543169716.db2.gz VLVQPVXXIJAOLK-UHFFFAOYSA-N -1 3 270.376 3.463 20 0 CGADHM Cc1nc([N-]C(=O)c2c(C)noc2C(F)F)sc1C ZINC000673640898 543249554 /nfs/dbraw/zinc/24/95/54/543249554.db2.gz MZNHILAODAGKGH-UHFFFAOYSA-N -1 3 287.291 3.246 20 0 CGADHM CC[C@H](C)[C@@H](N)C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000232399333 397668202 /nfs/dbraw/zinc/66/82/02/397668202.db2.gz FQCLTNVSKHYUBR-QUBYGPBYSA-N -1 3 291.178 3.011 20 0 CGADHM O=S(=O)(CCCCF)[N-]c1cc(C(F)F)ccc1F ZINC000650217433 397802474 /nfs/dbraw/zinc/80/24/74/397802474.db2.gz FXPMMIFYNHHOJR-UHFFFAOYSA-N -1 3 299.289 3.255 20 0 CGADHM CSc1ccncc1[N-]C(=O)c1scnc1C1CC1 ZINC000677741255 543463330 /nfs/dbraw/zinc/46/33/30/543463330.db2.gz VLGMEDBTXINZJR-UHFFFAOYSA-N -1 3 291.401 3.390 20 0 CGADHM CC(=O)c1[n-]c(=NCC(C)(C)C(F)(F)F)sc1C ZINC000556215059 289378016 /nfs/dbraw/zinc/37/80/16/289378016.db2.gz XBFPOUDEPNUMIW-UHFFFAOYSA-N -1 3 280.315 3.076 20 0 CGADHM Cc1ccc2[n-]cc(C(=O)N3CCC[C@@H](C)C3)c(=O)c2c1 ZINC000273284437 292394883 /nfs/dbraw/zinc/39/48/83/292394883.db2.gz QZUYOLJQMAJEGC-GFCCVEGCSA-N -1 3 284.359 3.121 20 0 CGADHM Cc1ccc(NC(=O)c2cc(Br)c[nH]2)c([O-])c1 ZINC000040420658 286890479 /nfs/dbraw/zinc/89/04/79/286890479.db2.gz FJPMIPJJWWYWNG-UHFFFAOYSA-N -1 3 295.136 3.044 20 0 CGADHM CCCCCN(C(=O)c1ccc(OC)cc1[O-])C(C)C ZINC000047846410 286900061 /nfs/dbraw/zinc/90/00/61/286900061.db2.gz KJQPWRHVIMPWMW-UHFFFAOYSA-N -1 3 279.380 3.442 20 0 CGADHM Cc1cnc(NC(=O)c2ccc(C)c(C)c2[O-])s1 ZINC000048520129 286907036 /nfs/dbraw/zinc/90/70/36/286907036.db2.gz YKDGVKSHKGXTRC-UHFFFAOYSA-N -1 3 262.334 3.026 20 0 CGADHM Cc1ccc(C(=O)NCc2cccc3cccnc32)c([O-])c1 ZINC000068745576 286980395 /nfs/dbraw/zinc/98/03/95/286980395.db2.gz VSEKNVIBFCKRQV-UHFFFAOYSA-N -1 3 292.338 3.179 20 0 CGADHM Cc1cccc(C(=O)Nc2ccc(-n3ccnc3)cc2)c1[O-] ZINC000078769878 287051560 /nfs/dbraw/zinc/05/15/60/287051560.db2.gz AHRLIUNAZOLOMX-UHFFFAOYSA-N -1 3 293.326 3.139 20 0 CGADHM Cc1ccc(C(=O)Nc2cc(Cl)ccc2[O-])o1 ZINC000069693382 165053402 /nfs/dbraw/zinc/05/34/02/165053402.db2.gz IWPDKQKPWPFJAE-UHFFFAOYSA-N -1 3 251.669 3.199 20 0 CGADHM CC[C@H]1CCCN(C(=O)c2ccc(OC)cc2[O-])CC1 ZINC000079053663 165143616 /nfs/dbraw/zinc/14/36/16/165143616.db2.gz UAPHUUIPCYNEAP-LBPRGKRZSA-N -1 3 277.364 3.053 20 0 CGADHM O=C(Nc1cccc2[nH]ccc21)c1cccc([O-])c1 ZINC000082282557 165168780 /nfs/dbraw/zinc/16/87/80/165168780.db2.gz IYFMNBPABRGKHI-UHFFFAOYSA-N -1 3 252.273 3.126 20 0 CGADHM CCOc1cc(F)ccc1NCc1nc(C)ccc1[O-] ZINC000091994143 165279253 /nfs/dbraw/zinc/27/92/53/165279253.db2.gz XFISWDIIYDHOOT-UHFFFAOYSA-N -1 3 276.311 3.246 20 0 CGADHM CCc1onc(C)c1NC(=O)c1cc(CC)ccc1[O-] ZINC000091696601 287109686 /nfs/dbraw/zinc/10/96/86/287109686.db2.gz DKZMFLGKDPPPCD-UHFFFAOYSA-N -1 3 274.320 3.066 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CCC[C@H]2C2CCC2)c1 ZINC000094105859 287121613 /nfs/dbraw/zinc/12/16/13/287121613.db2.gz OKMIATLTECBVPC-HNNXBMFYSA-N -1 3 273.376 3.359 20 0 CGADHM COc1ccc(-c2noc(-c3ccc(C)cc3[O-])n2)cc1 ZINC000109037256 287127625 /nfs/dbraw/zinc/12/76/25/287127625.db2.gz LBIREJLEYBCRPH-UHFFFAOYSA-N -1 3 282.299 3.426 20 0 CGADHM Cc1ccc(C(=O)N2C[C@@H](C)C[C@@H]2c2cccnc2)c([O-])c1 ZINC000182770675 165705734 /nfs/dbraw/zinc/70/57/34/165705734.db2.gz DKCPRLGEGAXBBQ-XJKSGUPXSA-N -1 3 296.370 3.319 20 0 CGADHM Cc1ccc([O-])c(-c2nc(-c3ccccc3)no2)c1 ZINC000111687277 287135967 /nfs/dbraw/zinc/13/59/67/287135967.db2.gz GVQJGILXPXAKOQ-UHFFFAOYSA-N -1 3 252.273 3.418 20 0 CGADHM Cc1ccc(-c2nc(Cc3cccs3)no2)c([O-])c1 ZINC000111688189 287136288 /nfs/dbraw/zinc/13/62/88/287136288.db2.gz XYGJQOJJFIVOSN-UHFFFAOYSA-N -1 3 272.329 3.403 20 0 CGADHM Cc1ccc(C(=O)N2CCCC(C)(C)C2)c([O-])c1C ZINC000112727539 287144704 /nfs/dbraw/zinc/14/47/04/287144704.db2.gz QFFZRTUDYDBPIL-UHFFFAOYSA-N -1 3 261.365 3.271 20 0 CGADHM Cc1ccc([N-]S(=O)(=O)c2ccccc2C)c(F)c1 ZINC000112333648 287140254 /nfs/dbraw/zinc/14/02/54/287140254.db2.gz RITNRTBULMDJQU-UHFFFAOYSA-N -1 3 279.336 3.243 20 0 CGADHM COc1cc(C)cc(C(=O)Nc2ccc3[nH]ccc3c2)c1[O-] ZINC000113415681 287147594 /nfs/dbraw/zinc/14/75/94/287147594.db2.gz GMBHIQZKSZXMDX-UHFFFAOYSA-N -1 3 296.326 3.443 20 0 CGADHM O=C(CCC1CC1)Nc1ccc(Br)cc1[O-] ZINC000115332357 287153882 /nfs/dbraw/zinc/15/38/82/287153882.db2.gz JOGBRSCKFULVTL-UHFFFAOYSA-N -1 3 284.153 3.283 20 0 CGADHM COc1cccc(C(=O)N(C)[C@H](C)c2ccccc2)c1[O-] ZINC000121084483 287192653 /nfs/dbraw/zinc/19/26/53/287192653.db2.gz CQGIXDYPFMANMK-GFCCVEGCSA-N -1 3 285.343 3.234 20 0 CGADHM COc1ccc([O-])c(C(=O)Nc2ccc3[nH]c(C)cc3c2)c1 ZINC000121131186 287193543 /nfs/dbraw/zinc/19/35/43/287193543.db2.gz AZTZZEYOPKHZQY-UHFFFAOYSA-N -1 3 296.326 3.443 20 0 CGADHM C[C@@H]1CC(C)(C)CC[C@H]1[N-]S(=O)(=O)c1cccs1 ZINC000484774321 287214493 /nfs/dbraw/zinc/21/44/93/287214493.db2.gz DGGHATGFJSKSEY-GHMZBOCLSA-N -1 3 287.450 3.241 20 0 CGADHM Cc1ccc(NC(=O)CCCOc2ccccc2)c([O-])c1 ZINC000006454023 170202296 /nfs/dbraw/zinc/20/22/96/170202296.db2.gz RUXHRARGKKPAQL-UHFFFAOYSA-N -1 3 285.343 3.498 20 0 CGADHM O=C(Nc1nnc(-c2ccccc2)s1)c1cccc([O-])c1 ZINC000010150917 170398379 /nfs/dbraw/zinc/39/83/79/170398379.db2.gz NFDRMHKLOHKZKV-UHFFFAOYSA-N -1 3 297.339 3.163 20 0 CGADHM Cc1cccc(C(=O)N2CC[C@H](Cc3ccccc3)C2)c1[O-] ZINC000125829263 287251653 /nfs/dbraw/zinc/25/16/53/287251653.db2.gz XERBHZVWBZFCMV-MRXNPFEDSA-N -1 3 295.382 3.405 20 0 CGADHM CCN(Cc1ccccc1)C(=O)c1ccc(C)cc1[O-] ZINC000020298629 171138313 /nfs/dbraw/zinc/13/83/13/171138313.db2.gz IQTOSZHCEFIEGL-UHFFFAOYSA-N -1 3 269.344 3.363 20 0 CGADHM COc1ccccc1SCC(=O)Nc1ccccc1[O-] ZINC000125914875 287253018 /nfs/dbraw/zinc/25/30/18/287253018.db2.gz YCVUOILAWZNXOT-UHFFFAOYSA-N -1 3 289.356 3.132 20 0 CGADHM COc1ccc(-c2noc(-c3ccccc3[O-])n2)cc1 ZINC000022120002 171353383 /nfs/dbraw/zinc/35/33/83/171353383.db2.gz DYGVDIZOXDZDKE-UHFFFAOYSA-N -1 3 268.272 3.118 20 0 CGADHM O=C(c1cccc([O-])c1)N1CCC[C@H]2CCCC[C@H]21 ZINC000035165291 172026903 /nfs/dbraw/zinc/02/69/03/172026903.db2.gz HNUXAADQFWGAPF-IUODEOHRSA-N -1 3 259.349 3.187 20 0 CGADHM CSCc1ccc(CNCc2nc(C)ccc2[O-])cc1 ZINC000285627813 196349345 /nfs/dbraw/zinc/34/93/45/196349345.db2.gz YMNGFDVIECIUNZ-UHFFFAOYSA-N -1 3 288.416 3.248 20 0 CGADHM O=C([O-])C[C@@H]1CCCCN1CCSc1ccccc1F ZINC000038027895 174015580 /nfs/dbraw/zinc/01/55/80/174015580.db2.gz KMZGYULWYZXRTN-LBPRGKRZSA-N -1 3 297.395 3.247 20 0 CGADHM Cc1cccc(O[C@H](C)C(=O)Nc2cccc([O-])c2F)c1 ZINC000128319942 287308648 /nfs/dbraw/zinc/30/86/48/287308648.db2.gz NGNZQKOWTJSFSC-LLVKDONJSA-N -1 3 289.306 3.246 20 0 CGADHM Cc1csc2[n-]c(CO[C@@H]3CCCC[C@@H]3C)nc(=O)c12 ZINC000070694415 176001786 /nfs/dbraw/zinc/00/17/86/176001786.db2.gz MYOWKBGCWIAVTK-GXSJLCMTSA-N -1 3 292.404 3.388 20 0 CGADHM Cc1csc2[n-]c(CO[C@@H]3CCCC[C@H]3C)nc(=O)c12 ZINC000070694417 176001947 /nfs/dbraw/zinc/00/19/47/176001947.db2.gz MYOWKBGCWIAVTK-MWLCHTKSSA-N -1 3 292.404 3.388 20 0 CGADHM CCSc1ccc(C(=O)Nc2cccc([O-])c2F)cn1 ZINC000128630142 287315117 /nfs/dbraw/zinc/31/51/17/287315117.db2.gz BXFSOAKSKPCDPN-UHFFFAOYSA-N -1 3 292.335 3.291 20 0 CGADHM Cc1cccc(OCCC(=O)Nc2cccc([O-])c2F)c1 ZINC000128966156 287321783 /nfs/dbraw/zinc/32/17/83/287321783.db2.gz RBESGDXPYJLHRO-UHFFFAOYSA-N -1 3 289.306 3.247 20 0 CGADHM C[C@H]1CCC[C@@H](OCC(=O)Nc2cccc([O-])c2F)C1 ZINC000129355544 287329206 /nfs/dbraw/zinc/32/92/06/287329206.db2.gz KTQIWBCZEDLYGV-WDEREUQCSA-N -1 3 281.327 3.065 20 0 CGADHM CCCN(CC(F)(F)F)C(=O)c1ccc(C)cc1[O-] ZINC000048090838 416445382 /nfs/dbraw/zinc/44/53/82/416445382.db2.gz HKFJLQJXKGSEFQ-UHFFFAOYSA-N -1 3 275.270 3.115 20 0 CGADHM CC1(C(=O)[O-])CCN(Cc2sccc2Cl)CC1 ZINC000304596914 416527114 /nfs/dbraw/zinc/52/71/14/416527114.db2.gz SWFQLCNRRNVARX-UHFFFAOYSA-N -1 3 273.785 3.088 20 0 CGADHM C[C@]1(C(=O)[O-])CCCN(Cc2sccc2Cl)C1 ZINC000304628255 416527310 /nfs/dbraw/zinc/52/73/10/416527310.db2.gz YQFIBWXAWCAARK-LBPRGKRZSA-N -1 3 273.785 3.088 20 0 CGADHM C[C@H]1CN(Cc2cc(C(=O)[O-])co2)CCc2ccccc21 ZINC000404698078 416557642 /nfs/dbraw/zinc/55/76/42/416557642.db2.gz CANRKGMRBLDNPM-LBPRGKRZSA-N -1 3 285.343 3.140 20 0 CGADHM CC(C)c1ccc(C(=O)N2CC[C@H](C)[C@@H](F)C2)c([O-])c1 ZINC000679263002 543610651 /nfs/dbraw/zinc/61/06/51/543610651.db2.gz WUKPOTLXMVICPE-FZMZJTMJSA-N -1 3 279.355 3.336 20 0 CGADHM Cc1cccc2c1CCN2C(=O)c1ccc([O-])c(C)c1 ZINC000679407097 543636391 /nfs/dbraw/zinc/63/63/91/543636391.db2.gz FBBOWAKSVFFLHO-UHFFFAOYSA-N -1 3 267.328 3.212 20 0 CGADHM Cc1cccc([O-])c1NC(=O)[C@H]1CCN(C)c2ccccc21 ZINC000679320631 543616416 /nfs/dbraw/zinc/61/64/16/543616416.db2.gz CEPQZTHUUNQAHN-AWEZNQCLSA-N -1 3 296.370 3.263 20 0 CGADHM O=C(c1cccc([O-])c1)N1CCC(C2CCCC2)CC1 ZINC000679635717 543652133 /nfs/dbraw/zinc/65/21/33/543652133.db2.gz LEFXPQAFMDHUAW-UHFFFAOYSA-N -1 3 273.376 3.435 20 0 CGADHM COc1ccccc1C(C)(C)CNC(=O)c1cccc([O-])c1 ZINC000679634159 543652629 /nfs/dbraw/zinc/65/26/29/543652629.db2.gz LYQZWALYQNONFE-UHFFFAOYSA-N -1 3 299.370 3.108 20 0 CGADHM Cc1ccc(-c2cc(-c3nc([C@@H]4C[C@@H]4C)no3)n[n-]2)o1 ZINC000680770025 543732977 /nfs/dbraw/zinc/73/29/77/543732977.db2.gz AORFKUQGQXCTOI-IONNQARKSA-N -1 3 270.292 3.152 20 0 CGADHM Cc1ccc(-c2cc(-c3nc([C@@H]4C[C@@H]4C)no3)[n-]n2)o1 ZINC000680770025 543732981 /nfs/dbraw/zinc/73/29/81/543732981.db2.gz AORFKUQGQXCTOI-IONNQARKSA-N -1 3 270.292 3.152 20 0 CGADHM C[C@H](C(=O)Nc1cc(Cl)ccc1[O-])C1CCOCC1 ZINC000130738117 287362167 /nfs/dbraw/zinc/36/21/67/287362167.db2.gz NPVAHHJFXMVOOC-VIFPVBQESA-N -1 3 283.755 3.047 20 0 CGADHM CC(=O)Nc1cc(NC(=O)c2cccc(C)c2[O-])ccc1C ZINC000131035107 287368901 /nfs/dbraw/zinc/36/89/01/287368901.db2.gz BMJHPIBZFZQRPU-UHFFFAOYSA-N -1 3 298.342 3.220 20 0 CGADHM Cc1noc(C)c1[N-]C(=O)c1sc(CC2CC2)nc1C ZINC000682715798 543861900 /nfs/dbraw/zinc/86/19/00/543861900.db2.gz OTXOFEGEDBDUDQ-UHFFFAOYSA-N -1 3 291.376 3.261 20 0 CGADHM CC(C)(C)c1ccc([O-])c(NC(=O)c2nccs2)c1 ZINC000683532657 543921549 /nfs/dbraw/zinc/92/15/49/543921549.db2.gz IGXOBKWGANYSFO-UHFFFAOYSA-N -1 3 276.361 3.399 20 0 CGADHM CCc1ccnc(C[N-]c2nc(-c3ccccc3)no2)c1 ZINC000684763979 544026985 /nfs/dbraw/zinc/02/69/85/544026985.db2.gz CRNBJAITYFXJIL-UHFFFAOYSA-N -1 3 280.331 3.306 20 0 CGADHM CCC[C@@H](C)NC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000684373677 543988031 /nfs/dbraw/zinc/98/80/31/543988031.db2.gz YPUMAJYBQOJKEU-MRVPVSSYSA-N -1 3 275.270 3.329 20 0 CGADHM C[C@@H]1CCN(C(=O)CCC(F)F)c2c([O-])cccc21 ZINC000684477949 544007302 /nfs/dbraw/zinc/00/73/02/544007302.db2.gz LVWHWLRXLKHQQX-SECBINFHSA-N -1 3 269.291 3.278 20 0 CGADHM C[C@H](NCc1ncccc1[O-])c1c(F)cccc1Cl ZINC000685425680 544068229 /nfs/dbraw/zinc/06/82/29/544068229.db2.gz XEARIKPCTPIOOY-VIFPVBQESA-N -1 3 280.730 3.431 20 0 CGADHM CO[C@H]1CCCC[C@@H]1[N-]c1nc(-c2ccccc2)no1 ZINC000685040183 544052340 /nfs/dbraw/zinc/05/23/40/544052340.db2.gz GDQGQEORFZAFCX-STQMWFEESA-N -1 3 273.336 3.106 20 0 CGADHM CCC(C)(C)[C@@H]1CCCN1C(=O)c1ccc(O)cc1[O-] ZINC000133792841 287429902 /nfs/dbraw/zinc/42/99/02/287429902.db2.gz JVQRUKYWTJXCQJ-AWEZNQCLSA-N -1 3 277.364 3.139 20 0 CGADHM CCc1cc(=O)[n-]c(CN[C@@H]2CCC[C@@H]2c2ccccc2)n1 ZINC000133733837 287428947 /nfs/dbraw/zinc/42/89/47/287428947.db2.gz WDEUFCPATRTJMF-HZPDHXFCSA-N -1 3 297.402 3.171 20 0 CGADHM [O-]c1ccc(F)c(CNCCC[C@H]2CCCC[C@H]2O)c1F ZINC000352679690 227156678 /nfs/dbraw/zinc/15/66/78/227156678.db2.gz HOXARQKMXSTIGP-BXUZGUMPSA-N -1 3 299.361 3.091 20 0 CGADHM CC[C@@]1(C)C[C@@H]1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000136306281 287482274 /nfs/dbraw/zinc/48/22/74/287482274.db2.gz WGCZLVQAMIUBMU-RNCFNFMXSA-N -1 3 253.729 3.420 20 0 CGADHM Cc1oc(CN2CC[C@@H](C)C(C)(C)C2)cc1C(=O)[O-] ZINC000652443629 418968246 /nfs/dbraw/zinc/96/82/46/418968246.db2.gz KFEOSSNJYCRILE-SNVBAGLBSA-N -1 3 265.353 3.154 20 0 CGADHM CC(C)CN(CCC(=O)[O-])Cc1cc(Cl)ccc1F ZINC000652460406 418971865 /nfs/dbraw/zinc/97/18/65/418971865.db2.gz NWJXJDZYRSQITG-UHFFFAOYSA-N -1 3 287.762 3.412 20 0 CGADHM CC(C)[C@H](O)[C@H]([N-]c1nnc(C2CC2)o1)c1ccccc1 ZINC000664531453 418972573 /nfs/dbraw/zinc/97/25/73/418972573.db2.gz LCYKMTOHVCPSLO-KGLIPLIRSA-N -1 3 287.363 3.117 20 0 CGADHM O=C([O-])c1coc(CN2CCC[C@H]2c2ccccc2)c1 ZINC000652384207 418959486 /nfs/dbraw/zinc/95/94/86/418959486.db2.gz SXGGOXVMUGARSB-HNNXBMFYSA-N -1 3 271.316 3.315 20 0 CGADHM CCN(CCc1ccccc1C(=O)[O-])Cc1ccoc1 ZINC000652408299 418963182 /nfs/dbraw/zinc/96/31/82/418963182.db2.gz WMAXBLUTFQATQQ-UHFFFAOYSA-N -1 3 273.332 3.042 20 0 CGADHM O=C([O-])c1cccnc1CN1CCC[C@]2(CC=CCC2)C1 ZINC000652415347 418964639 /nfs/dbraw/zinc/96/46/39/418964639.db2.gz LGOOPVHYEYICQV-QGZVFWFLSA-N -1 3 286.375 3.102 20 0 CGADHM CCc1nc([N-]C(=O)c2cnco2)sc1C(C)(C)C ZINC000655437392 419050092 /nfs/dbraw/zinc/05/00/92/419050092.db2.gz NTUFIUOKKZMGNZ-UHFFFAOYSA-N -1 3 279.365 3.243 20 0 CGADHM CCc1cc(C(=O)N[C@H]2C[C@H](OC(C)(C)C)C2)ccc1[O-] ZINC000655309432 419037960 /nfs/dbraw/zinc/03/79/60/419037960.db2.gz FVMKIJXWUVEVBW-HDJSIYSDSA-N -1 3 291.391 3.031 20 0 CGADHM CC[C@@H](NC(=O)c1cc([O-])ccc1Cl)[C@@H]1CCCCO1 ZINC000655348515 419042794 /nfs/dbraw/zinc/04/27/94/419042794.db2.gz OAWLKJBODXBKAK-KGLIPLIRSA-N -1 3 297.782 3.123 20 0 CGADHM C[C@@H](c1ccc(F)cc1F)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000652514979 418977984 /nfs/dbraw/zinc/97/79/84/418977984.db2.gz JMCBFVLYVUSEIB-QCZZGDTMSA-N -1 3 295.329 3.068 20 0 CGADHM COc1ccc2c(c1)[C@H](C(=O)Nc1ccccc1[O-])CCC2 ZINC000654565964 418986018 /nfs/dbraw/zinc/98/60/18/418986018.db2.gz KUWPZFKXDSKOGL-CQSZACIVSA-N -1 3 297.354 3.459 20 0 CGADHM CC(C)(C)C[C@@H]1C[C@H]1NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000652759023 418990768 /nfs/dbraw/zinc/99/07/68/418990768.db2.gz TYNKKULIRYCRNK-SMDDNHRTSA-N -1 3 298.386 3.083 20 0 CGADHM CC[C@H](c1ccccc1)N(CC(=O)[O-])Cc1ccc(C)nc1 ZINC000659793452 418990895 /nfs/dbraw/zinc/99/08/95/418990895.db2.gz YXLPRBUCLADONI-QGZVFWFLSA-N -1 3 298.386 3.428 20 0 CGADHM O=C(NC1CC2(CCC2)C1)c1cc([O-])ccc1C(F)(F)F ZINC000652969473 419005355 /nfs/dbraw/zinc/00/53/55/419005355.db2.gz CRJQYFHYRBVWOS-UHFFFAOYSA-N -1 3 299.292 3.474 20 0 CGADHM O=C([O-])CCC1CCN(C/C=C\c2ccc(F)cc2)CC1 ZINC000665342710 419113072 /nfs/dbraw/zinc/11/30/72/419113072.db2.gz LADLZCOXJCSCKO-UPHRSURJSA-N -1 3 291.366 3.416 20 0 CGADHM O=C([O-])[C@@H](CNCc1cccc(Cl)c1F)C1CCC1 ZINC000665362112 419118858 /nfs/dbraw/zinc/11/88/58/419118858.db2.gz ZQZFMYRPEZOMJX-NSHDSACASA-N -1 3 285.746 3.070 20 0 CGADHM C[C@H](Nc1ccnc2ccccc21)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656092214 419137985 /nfs/dbraw/zinc/13/79/85/419137985.db2.gz KRGSMYYEYQROMK-FPMFFAJLSA-N -1 3 298.386 3.204 20 0 CGADHM C[C@H](NCc1c(F)cccc1F)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656099138 419140372 /nfs/dbraw/zinc/14/03/72/419140372.db2.gz OITWAMKNECFWMS-ZMLRMANQSA-N -1 3 297.345 3.190 20 0 CGADHM CCc1ccc(C(=O)N2CC[C@@H](C3CCC3)C2)c([O-])c1 ZINC000665684267 419149902 /nfs/dbraw/zinc/14/99/02/419149902.db2.gz QJNZKKQOSLRJLB-CQSZACIVSA-N -1 3 273.376 3.217 20 0 CGADHM CC(=O)c1ccc(C(=O)N(C)C2CCCCCC2)cc1[O-] ZINC000665929249 419172320 /nfs/dbraw/zinc/17/23/20/419172320.db2.gz NACCHQYPHIZAJF-UHFFFAOYSA-N -1 3 289.375 3.390 20 0 CGADHM CCc1ccc(CN[C@H]2C[C@@H](CCC(=O)[O-])C2(C)C)o1 ZINC000656568673 419184121 /nfs/dbraw/zinc/18/41/21/419184121.db2.gz MLPGJKBKNWZNIX-RISCZKNCSA-N -1 3 279.380 3.211 20 0 CGADHM COc1ccccc1CN[C@H]1C[C@@H](CCC(=O)[O-])C1(C)C ZINC000656568680 419184478 /nfs/dbraw/zinc/18/44/78/419184478.db2.gz MXGJLYACUZRYGU-HIFRSBDPSA-N -1 3 291.391 3.064 20 0 CGADHM CCc1oc(C(=O)[O-])cc1CN1CC[C@@H](C)C[C@H]1C ZINC000656756594 419209764 /nfs/dbraw/zinc/20/97/64/419209764.db2.gz GRNROSUPOZBOJO-GHMZBOCLSA-N -1 3 265.353 3.161 20 0 CGADHM O=C([O-])c1cc(CN2CCC[C@@H](CCF)C2)cs1 ZINC000656762828 419211815 /nfs/dbraw/zinc/21/18/15/419211815.db2.gz HXFGOAGWBMIKHV-JTQLQIEISA-N -1 3 271.357 3.018 20 0 CGADHM O=C([O-])c1csc(CN2CC[C@@H](C3CCCCC3)C2)n1 ZINC000656761330 419212444 /nfs/dbraw/zinc/21/24/44/419212444.db2.gz OQYZJOQMZGZSBQ-GFCCVEGCSA-N -1 3 294.420 3.244 20 0 CGADHM Cc1cccc2c1CC[C@@H]2NCc1cccc(C(=O)[O-])c1 ZINC000666574198 419227046 /nfs/dbraw/zinc/22/70/46/419227046.db2.gz CZCJVMYCZSAXRD-KRWDZBQOSA-N -1 3 281.355 3.470 20 0 CGADHM C[C@]1(CNCc2cccc([O-])c2Cl)CC1(F)F ZINC000657667752 419323818 /nfs/dbraw/zinc/32/38/18/419323818.db2.gz XZZNFDBPRMFKRP-LLVKDONJSA-N -1 3 261.699 3.181 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N2CCC(C(C)(C)C)CC2)n1 ZINC000192594039 228163712 /nfs/dbraw/zinc/16/37/12/228163712.db2.gz VHBDBTQHPGJYIC-LBPRGKRZSA-N -1 3 277.412 3.310 20 0 CGADHM O=C(NCc1ncccc1[O-])c1cccc(Cl)c1Cl ZINC000336062987 228184223 /nfs/dbraw/zinc/18/42/23/228184223.db2.gz QATVXAZQLSLPGO-UHFFFAOYSA-N -1 3 297.141 3.024 20 0 CGADHM COc1cccc(CN2CCC[C@H](CC(=O)[O-])C2)c1Cl ZINC000662199717 419359083 /nfs/dbraw/zinc/35/90/83/419359083.db2.gz CHGJFDXKZRZXTE-LLVKDONJSA-N -1 3 297.782 3.035 20 0 CGADHM COc1cccc(CN2CCC[C@@H](C)[C@@H]2C(=O)[O-])c1Cl ZINC000662211436 419361477 /nfs/dbraw/zinc/36/14/77/419361477.db2.gz GVGBEXWQNUAZPC-QMTHXVAHSA-N -1 3 297.782 3.034 20 0 CGADHM CCCC[C@H]([N-]S(=O)(=O)c1ccc(C)o1)C1CCC1 ZINC000536904154 288510547 /nfs/dbraw/zinc/51/05/47/288510547.db2.gz HVRDXMYVOFAEEC-ZDUSSCGKSA-N -1 3 285.409 3.225 20 0 CGADHM Cc1cc(C(=O)NC[C@H]2CCC[C@H](C)C2)ccc1[O-] ZINC000227021724 287636337 /nfs/dbraw/zinc/63/63/37/287636337.db2.gz PXTFDEVWDBGIAX-AAEUAGOBSA-N -1 3 261.365 3.257 20 0 CGADHM Cc1cc(C(=O)NC[C@@H]2CCC[C@H](C)C2)ccc1[O-] ZINC000227021714 287636487 /nfs/dbraw/zinc/63/64/87/287636487.db2.gz PXTFDEVWDBGIAX-WCQYABFASA-N -1 3 261.365 3.257 20 0 CGADHM CC[C@H]1CCC[C@H](NC(=O)c2ccc([O-])c(C)c2)C1 ZINC000227033480 287636757 /nfs/dbraw/zinc/63/67/57/287636757.db2.gz VZKWRQVJMKRSPM-JSGCOSHPSA-N -1 3 261.365 3.399 20 0 CGADHM COc1cccc(Cl)c1C(=O)Nc1cc(F)ccc1[O-] ZINC000179652489 260061763 /nfs/dbraw/zinc/06/17/63/260061763.db2.gz QZFBRTJPOVYUTD-UHFFFAOYSA-N -1 3 295.697 3.446 20 0 CGADHM CCC[C@@H]1CCCCN1C(=O)c1ccc(C)cc1[O-] ZINC000213452221 262948192 /nfs/dbraw/zinc/94/81/92/262948192.db2.gz PATSLCLLFLRHRO-CYBMUJFWSA-N -1 3 261.365 3.495 20 0 CGADHM Cc1cc(C(=O)N2CCC[C@H]2c2ccncc2)ccc1[O-] ZINC000272463946 263004874 /nfs/dbraw/zinc/00/48/74/263004874.db2.gz OXLBDTINXRCNIC-HNNXBMFYSA-N -1 3 282.343 3.073 20 0 CGADHM COc1ccc(C(=O)NCCCC2CCCC2)c([O-])c1 ZINC000031145440 270026773 /nfs/dbraw/zinc/02/67/73/270026773.db2.gz MCTRVMLCIHKAKS-UHFFFAOYSA-N -1 3 277.364 3.101 20 0 CGADHM COc1ccc(C(=O)N(C)[C@@H](C)c2cccs2)c([O-])c1 ZINC000042315210 270031962 /nfs/dbraw/zinc/03/19/62/270031962.db2.gz UZNGKBHMTQDILA-JTQLQIEISA-N -1 3 291.372 3.296 20 0 CGADHM C[C@@H](CCc1ccccc1)NC(=O)c1cccc([O-])c1 ZINC000044285919 270035196 /nfs/dbraw/zinc/03/51/96/270035196.db2.gz UBMSXBLIUMQFTM-ZDUSSCGKSA-N -1 3 269.344 3.143 20 0 CGADHM CC(C)[C@]1(C(=O)[O-])CCN(c2ccnc3ccccc32)C1 ZINC000232831854 287646829 /nfs/dbraw/zinc/64/68/29/287646829.db2.gz JRXRIBOLUKGGDO-KRWDZBQOSA-N -1 3 284.359 3.172 20 0 CGADHM COc1ccc(C(=O)N2CCc3ccccc3[C@@H]2C)c([O-])c1 ZINC000106682366 270049258 /nfs/dbraw/zinc/04/92/58/270049258.db2.gz FYVGMPIZGHFUBW-LBPRGKRZSA-N -1 3 297.354 3.160 20 0 CGADHM Cc1ccc(C(C)(C)CNC(=O)c2cccc([O-])c2)cc1 ZINC000182358511 270054129 /nfs/dbraw/zinc/05/41/29/270054129.db2.gz LPPCZLBPWCADBN-UHFFFAOYSA-N -1 3 283.371 3.408 20 0 CGADHM CN(Cc1cc(F)c(F)c(F)c1)C(=O)c1ccccc1[O-] ZINC000182964091 270054808 /nfs/dbraw/zinc/05/48/08/270054808.db2.gz BDKUGGVYRKNLNQ-UHFFFAOYSA-N -1 3 295.260 3.082 20 0 CGADHM Cn1c2cc(F)ccc2nc1-c1cc([O-])cc(F)c1 ZINC000184589990 270058979 /nfs/dbraw/zinc/05/89/79/270058979.db2.gz LRGKTSDKQKTHOS-UHFFFAOYSA-N -1 3 260.243 3.224 20 0 CGADHM C[C@H](NCc1cc([O-])cc(F)c1)c1nc(C(C)(C)C)no1 ZINC000185560253 270063422 /nfs/dbraw/zinc/06/34/22/270063422.db2.gz JHZBYKSYWWARLY-VIFPVBQESA-N -1 3 293.342 3.063 20 0 CGADHM CCC[C@H](OCC)c1nc(-c2ccc([O-])c(OC)c2)no1 ZINC000528168782 270156345 /nfs/dbraw/zinc/15/63/45/270156345.db2.gz WWPFEBXITVBPAP-LBPRGKRZSA-N -1 3 292.335 3.329 20 0 CGADHM C[C@H]1[C@@H](C2CC2)[C@H]1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000528877501 270175061 /nfs/dbraw/zinc/17/50/61/270175061.db2.gz OZSOJKMZYZIXLL-PAWXDDDFSA-N -1 3 265.740 3.276 20 0 CGADHM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000528905575 270175636 /nfs/dbraw/zinc/17/56/36/270175636.db2.gz XFLGBDPHJOSXNO-NMSKTSORSA-N -1 3 283.755 3.044 20 0 CGADHM CCO[N-]C(=O)Nc1ccc2c(c1)CCC1(CCC1)O2 ZINC000529174671 270178113 /nfs/dbraw/zinc/17/81/13/270178113.db2.gz KWOXQKZRCSFTPC-UHFFFAOYSA-N -1 3 276.336 3.007 20 0 CGADHM Cc1scnc1NC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000529548650 270184113 /nfs/dbraw/zinc/18/41/13/270184113.db2.gz CUURMZKXDMNBED-UHFFFAOYSA-N -1 3 288.372 3.288 20 0 CGADHM O=C(NCC[C@H]1CC=CCC1)c1c[n-]c2ccccc2c1=O ZINC000529870273 270190476 /nfs/dbraw/zinc/19/04/76/270190476.db2.gz JZOROFNUCQFMNU-ZDUSSCGKSA-N -1 3 296.370 3.004 20 0 CGADHM Cc1cccc(CCCN2CCc3occc3[C@H]2C(=O)[O-])c1 ZINC000530166418 270195254 /nfs/dbraw/zinc/19/52/54/270195254.db2.gz MNXSECFTBMGBEN-KRWDZBQOSA-N -1 3 299.370 3.205 20 0 CGADHM C[C@@H]1CCC[C@@H](CCN2CCc3occc3[C@H]2C(=O)[O-])C1 ZINC000530167722 270195321 /nfs/dbraw/zinc/19/53/21/270195321.db2.gz YXYCDKKEKKPXCS-WWGRRREGSA-N -1 3 291.391 3.480 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)[C@@H]2CC=CCC2)c1-c1ccccc1F ZINC000530277709 270198151 /nfs/dbraw/zinc/19/81/51/270198151.db2.gz YULUGFXXLCXGLH-GFCCVEGCSA-N -1 3 299.349 3.241 20 0 CGADHM CCc1ccc(C(=O)N[C@@H](c2cccnc2)C2CC2)c([O-])c1 ZINC000530337589 270199023 /nfs/dbraw/zinc/19/90/23/270199023.db2.gz SLFLJMFFCKPBRA-QGZVFWFLSA-N -1 3 296.370 3.231 20 0 CGADHM CC[C@H](C)[C@H](C)N(C(=O)/C=C\c1cncc([O-])c1)C1CC1 ZINC000255036605 287855270 /nfs/dbraw/zinc/85/52/70/287855270.db2.gz HMWJVVAOXZDCPO-AAMHTLBISA-N -1 3 288.391 3.226 20 0 CGADHM CC(C)c1cc(C(=O)N2CC[C@H](C)c3cccc([O-])c32)n[nH]1 ZINC000186327107 276044831 /nfs/dbraw/zinc/04/48/31/276044831.db2.gz CTKDKZBGTLGPDD-NSHDSACASA-N -1 3 299.374 3.393 20 0 CGADHM CC(C)c1nn(C)c(Cl)c1C(=O)Nc1ccccc1[O-] ZINC000175085078 276071485 /nfs/dbraw/zinc/07/14/85/276071485.db2.gz BJXQAQCPUSIBTQ-UHFFFAOYSA-N -1 3 293.754 3.155 20 0 CGADHM CCOc1cccc(C(=O)N2CCCc3cccc([O-])c32)c1 ZINC000155669762 276379399 /nfs/dbraw/zinc/37/93/99/276379399.db2.gz PBJUPTITWBCBDM-UHFFFAOYSA-N -1 3 297.354 3.384 20 0 CGADHM CC(C)c1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)[C@@H]2C)c([O-])c1 ZINC000438396180 278028416 /nfs/dbraw/zinc/02/84/16/278028416.db2.gz MWFNFDGUSCOMPI-AGIUHOORSA-N -1 3 291.391 3.154 20 0 CGADHM C[C@H]1CCN(C(=O)c2ccoc2)c2c([O-])cccc21 ZINC000186300709 278364038 /nfs/dbraw/zinc/36/40/38/278364038.db2.gz UKMJOPSKXOFPBZ-JTQLQIEISA-N -1 3 257.289 3.139 20 0 CGADHM CC(C)N(C(=O)c1ccc2c(c1[O-])OC(C)(C)C2)C1CC1 ZINC000436568260 279314754 /nfs/dbraw/zinc/31/47/54/279314754.db2.gz RXXCLBGUZUAASD-UHFFFAOYSA-N -1 3 289.375 3.119 20 0 CGADHM CCCCC[C@H]1CCCN1C(=O)c1cccc2[n-]nnc21 ZINC000526118938 288150050 /nfs/dbraw/zinc/15/00/50/288150050.db2.gz WAGHAZFPEVAEMQ-LBPRGKRZSA-N -1 3 286.379 3.143 20 0 CGADHM CCCCC[C@H]1CCCN1C(=O)c1cccc2nn[n-]c21 ZINC000526118938 288150053 /nfs/dbraw/zinc/15/00/53/288150053.db2.gz WAGHAZFPEVAEMQ-LBPRGKRZSA-N -1 3 286.379 3.143 20 0 CGADHM CCCCC[C@H]1CCCN1C(=O)c1cccc2n[n-]nc21 ZINC000526118938 288150055 /nfs/dbraw/zinc/15/00/55/288150055.db2.gz WAGHAZFPEVAEMQ-LBPRGKRZSA-N -1 3 286.379 3.143 20 0 CGADHM CCc1cccc(C(=O)N2CCCC(C)(C)C2)c1[O-] ZINC000527302170 288164892 /nfs/dbraw/zinc/16/48/92/288164892.db2.gz OKZCXGGGHSHFBV-UHFFFAOYSA-N -1 3 261.365 3.217 20 0 CGADHM O=C(c1cc[nH]c1C1CC1)N1CCCc2cccc([O-])c21 ZINC000285466809 280176055 /nfs/dbraw/zinc/17/60/55/280176055.db2.gz BUCJKWRYHDKNOO-UHFFFAOYSA-N -1 3 282.343 3.191 20 0 CGADHM O=C([N-]OC1CCCC1)[C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21 ZINC000528965833 288225478 /nfs/dbraw/zinc/22/54/78/288225478.db2.gz OZLAJUITKDXOMS-VHDGCEQUSA-N -1 3 291.778 3.216 20 0 CGADHM O=C(NCc1ccc([O-])c2ncccc12)[C@@H]1CCCC12CC2 ZINC000529470903 288249999 /nfs/dbraw/zinc/24/99/99/288249999.db2.gz XVBNMBXQYQZVOC-AWEZNQCLSA-N -1 3 296.370 3.137 20 0 CGADHM CC[C@H](C)[C@H]1CCCCN1C(=O)c1cc(OC)ccc1[O-] ZINC000436526092 280800085 /nfs/dbraw/zinc/80/00/85/280800085.db2.gz CLEWNULQVGGGMF-SWLSCSKDSA-N -1 3 291.391 3.442 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)C2C(C)(C)C2(C)C)c1-c1ccccc1 ZINC000530587701 288312087 /nfs/dbraw/zinc/31/20/87/288312087.db2.gz KNAZQZMUJCAWHK-UHFFFAOYSA-N -1 3 297.402 3.428 20 0 CGADHM CCc1cc(C(=O)NC2(c3ccccc3)CC2)ccc1[O-] ZINC000486068658 281381003 /nfs/dbraw/zinc/38/10/03/281381003.db2.gz UOQFUXOEOHLWGA-UHFFFAOYSA-N -1 3 281.355 3.374 20 0 CGADHM CCc1ccc(C(=O)N2C[C@H](C)[C@@H](C)[C@@H]2C)c([O-])c1 ZINC000416325571 281399866 /nfs/dbraw/zinc/39/98/66/281399866.db2.gz SSYSBUJNPCIADN-TUAOUCFPSA-N -1 3 261.365 3.071 20 0 CGADHM CN(C(=O)c1ccccc1[O-])[C@H]1CCc2ccccc21 ZINC000192625773 281886501 /nfs/dbraw/zinc/88/65/01/281886501.db2.gz GUULKYLZFYILRN-HNNXBMFYSA-N -1 3 267.328 3.152 20 0 CGADHM O=C(Nc1ccc(Cl)cc1[O-])c1cccc2c1OCO2 ZINC000533159207 288376105 /nfs/dbraw/zinc/37/61/05/288376105.db2.gz NVNAESQXVDGDMK-UHFFFAOYSA-N -1 3 291.690 3.027 20 0 CGADHM C[C@H]1CCCC[C@H]1CC(=O)N=c1cc(-c2cccnc2)[n-][nH]1 ZINC000534386663 288415388 /nfs/dbraw/zinc/41/53/88/288415388.db2.gz PDOFULKGFKZALC-STQMWFEESA-N -1 3 298.390 3.049 20 0 CGADHM O=C(COc1cccc(Cl)c1)Nc1cccc([O-])c1F ZINC000536464534 288481794 /nfs/dbraw/zinc/48/17/94/288481794.db2.gz YQKHMGIZMIBINV-UHFFFAOYSA-N -1 3 295.697 3.202 20 0 CGADHM Cc1cccc([O-])c1NC(=O)Cc1cn(C)c2ccccc12 ZINC000538716074 288583523 /nfs/dbraw/zinc/58/35/23/288583523.db2.gz VNUAUASKNNRXCP-UHFFFAOYSA-N -1 3 294.354 3.374 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CCC[C@H]2c2ccccn2)c1 ZINC000538743513 288586930 /nfs/dbraw/zinc/58/69/30/288586930.db2.gz KCLPIHOHQTZHAM-INIZCTEOSA-N -1 3 296.370 3.327 20 0 CGADHM CCc1cccc(C(=O)Nc2cnn([C@H](C)C3CC3)c2)c1[O-] ZINC000548636413 289014021 /nfs/dbraw/zinc/01/40/21/289014021.db2.gz INRPNILYDNZSIJ-LLVKDONJSA-N -1 3 299.374 3.374 20 0 CGADHM Cc1nc([N-]C(=O)c2c(F)cc(F)cc2F)cs1 ZINC000549090608 289034883 /nfs/dbraw/zinc/03/48/83/289034883.db2.gz SZEUWZDJPWPQQA-UHFFFAOYSA-N -1 3 272.251 3.121 20 0 CGADHM O=C(C[C@@H]1C=CCC1)Nc1c([O-])cccc1Cl ZINC000552435650 289189296 /nfs/dbraw/zinc/18/92/96/289189296.db2.gz SGPDBSXTSJMHOZ-SECBINFHSA-N -1 3 251.713 3.340 20 0 CGADHM C[C@@H](CC(=O)N=c1cc2ccccn2[n-]1)c1cccc(F)c1 ZINC000553323925 289219233 /nfs/dbraw/zinc/21/92/33/289219233.db2.gz AWWPTHPPQUNNSF-LBPRGKRZSA-N -1 3 297.333 3.028 20 0 CGADHM Cc1cc(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])ncn1 ZINC000554587870 289295910 /nfs/dbraw/zinc/29/59/10/289295910.db2.gz NKPFTJMCAWLAOS-UHFFFAOYSA-N -1 3 285.347 3.040 20 0 CGADHM C[C@H]1CCC[C@@]1(C)C(=O)Nc1cccc([O-])c1F ZINC000336186481 290484431 /nfs/dbraw/zinc/48/44/31/290484431.db2.gz WGEPLYASAUUHBY-LKFCYVNXSA-N -1 3 251.301 3.296 20 0 CGADHM C[C@@H]1C[C@@H](C)N(C(=O)c2cc3c(cc2[O-])CCCC3)C1 ZINC000436564883 297234735 /nfs/dbraw/zinc/23/47/35/297234735.db2.gz PVSCWVXHDSDXHL-VXGBXAGGSA-N -1 3 273.376 3.142 20 0 CGADHM Cc1noc(C2CC2)c1[N-]C(=O)c1ccc(F)cc1F ZINC000156606561 321783705 /nfs/dbraw/zinc/78/37/05/321783705.db2.gz LUGFLJYEJARVNQ-UHFFFAOYSA-N -1 3 278.258 3.391 20 0 CGADHM C[C@H](COc1ccccc1)C(=O)Nc1ccccc1[O-] ZINC000157546243 321798894 /nfs/dbraw/zinc/79/88/94/321798894.db2.gz GAWZWUZYLYPAJO-GFCCVEGCSA-N -1 3 271.316 3.046 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-]CCC2=CCCCC2)c(F)c1 ZINC000404867035 321971074 /nfs/dbraw/zinc/97/10/74/321971074.db2.gz BJGRVJBQQNWWMO-UHFFFAOYSA-N -1 3 297.395 3.303 20 0 CGADHM C[C@@H]1[C@@H](c2ccccc2)CCN1c1ccncc1C(=O)[O-] ZINC000565036542 322056248 /nfs/dbraw/zinc/05/62/48/322056248.db2.gz VHDXIMSVXZZWIA-OCCSQVGLSA-N -1 3 282.343 3.162 20 0 CGADHM C[C@@H](c1ccc(F)c(F)c1)N(C)Cc1ncccc1[O-] ZINC000565625199 322084256 /nfs/dbraw/zinc/08/42/56/322084256.db2.gz IIKVQCFMRBLCFS-JTQLQIEISA-N -1 3 278.302 3.258 20 0 CGADHM Cc1oc(C(=O)[O-])cc1CN(C)[C@@H]1CCc2ccccc21 ZINC000566358324 322117627 /nfs/dbraw/zinc/11/76/27/322117627.db2.gz GQXBNALTSPDPIO-OAHLLOKOSA-N -1 3 285.343 3.406 20 0 CGADHM CCS[C@@H]1CCCCN(Cc2cc(C(=O)[O-])c(C)o2)C1 ZINC000566359852 322118549 /nfs/dbraw/zinc/11/85/49/322118549.db2.gz YSYXBJRUTKTDAQ-CYBMUJFWSA-N -1 3 297.420 3.394 20 0 CGADHM CC[C@H]1CCN(Cc2c(Cl)cccc2C(=O)[O-])C1 ZINC000566361118 322118633 /nfs/dbraw/zinc/11/86/33/322118633.db2.gz GIALMOPDCNXUDI-JTQLQIEISA-N -1 3 267.756 3.270 20 0 CGADHM CCS[C@@H]1CCCCN(Cc2ccc(C(=O)[O-])o2)C1 ZINC000566860493 322141164 /nfs/dbraw/zinc/14/11/64/322141164.db2.gz MUIBHOLCOITAJE-GFCCVEGCSA-N -1 3 283.393 3.085 20 0 CGADHM CC[C@H](C)[C@H](NCc1cc(F)ccc1Cl)C(=O)[O-] ZINC000567988557 322186921 /nfs/dbraw/zinc/18/69/21/322186921.db2.gz HWMMVKQUILXQDO-UFBFGSQYSA-N -1 3 273.735 3.068 20 0 CGADHM O=C([O-])c1ccc(CN2CCC[C@@H]2c2cccs2)nc1 ZINC000568060879 322190713 /nfs/dbraw/zinc/19/07/13/322190713.db2.gz RSGJIHHFGKOLNG-CYBMUJFWSA-N -1 3 288.372 3.178 20 0 CGADHM Cc1cccc(Cl)c1CN(C[C@H](C)C(=O)[O-])C1CC1 ZINC000568073574 322192365 /nfs/dbraw/zinc/19/23/65/322192365.db2.gz FTWFJDBVMBIVLP-NSHDSACASA-N -1 3 281.783 3.334 20 0 CGADHM CC[C@H](c1ccccc1)N(CC(=O)[O-])Cc1cnccc1C ZINC000569259823 322241152 /nfs/dbraw/zinc/24/11/52/322241152.db2.gz GWVSUOPSNAWICF-QGZVFWFLSA-N -1 3 298.386 3.428 20 0 CGADHM C[C@H]1CC[C@H](c2nc(-c3ccc4n[n-]nc4c3)no2)CC1 ZINC000569367958 322245580 /nfs/dbraw/zinc/24/55/80/322245580.db2.gz UYVMFGJFNBQINP-MGCOHNPYSA-N -1 3 283.335 3.302 20 0 CGADHM CC(C)[C@@H](NCc1ncccc1[O-])c1ccccc1 ZINC000570319197 322270575 /nfs/dbraw/zinc/27/05/75/322270575.db2.gz QUKIAHITIMVHQA-MRXNPFEDSA-N -1 3 256.349 3.274 20 0 CGADHM Cc1oc(CN2CC3(CCC3)C[C@H]2C)cc1C(=O)[O-] ZINC000570576632 322276966 /nfs/dbraw/zinc/27/69/66/322276966.db2.gz JBVLSDYUVNIVBT-SNVBAGLBSA-N -1 3 263.337 3.051 20 0 CGADHM O=C([O-])CCCCCN1CC[C@H](c2c(F)cccc2F)C1 ZINC000570933715 322285847 /nfs/dbraw/zinc/28/58/47/322285847.db2.gz LQRLAFCMLWYJQE-LBPRGKRZSA-N -1 3 297.345 3.399 20 0 CGADHM CCc1ccc(C(=O)N2CC[C@@H]3CCCC[C@@H]32)c([O-])c1 ZINC000570968453 322286820 /nfs/dbraw/zinc/28/68/20/322286820.db2.gz RUBXFSJHQACYEX-ZFWWWQNUSA-N -1 3 273.376 3.359 20 0 CGADHM CCc1coc([N-]C(=O)c2cc(C(CC)CC)no2)n1 ZINC000571306336 322295276 /nfs/dbraw/zinc/29/52/76/322295276.db2.gz KZKNCWAXEMFREX-UHFFFAOYSA-N -1 3 277.324 3.381 20 0 CGADHM C[C@@H]1CCCC[C@@H]1CNC(=O)c1c[n-]nc1-c1ccccn1 ZINC000571724894 322306243 /nfs/dbraw/zinc/30/62/43/322306243.db2.gz FZGVUFDBQOXDOY-CHWSQXEVSA-N -1 3 298.390 3.028 20 0 CGADHM CCN(CCc1ccccc1)Cc1cc(C(=O)[O-])co1 ZINC000572532759 322341938 /nfs/dbraw/zinc/34/19/38/322341938.db2.gz CJDPYMZKWWPAJA-UHFFFAOYSA-N -1 3 273.332 3.042 20 0 CGADHM Cc1cc(C(=O)Nc2cc(F)ccc2[O-])ccc1F ZINC000174887341 327024242 /nfs/dbraw/zinc/02/42/42/327024242.db2.gz YRTHUUYGDRBNCX-UHFFFAOYSA-N -1 3 263.243 3.231 20 0 CGADHM Cc1ccc([O-])c(C(=O)NC2CCC(F)(F)CC2)c1 ZINC000390357677 328967530 /nfs/dbraw/zinc/96/75/30/328967530.db2.gz LCXMJJHROKAENM-UHFFFAOYSA-N -1 3 269.291 3.008 20 0 CGADHM CCc1ccc([O-])c(C(=O)N(CC)C2CCCC2)c1 ZINC000582537843 329108441 /nfs/dbraw/zinc/10/84/41/329108441.db2.gz OMTGQAXQVXJCNF-UHFFFAOYSA-N -1 3 261.365 3.359 20 0 CGADHM O=C(/C=C\c1ccc(Cl)s1)[N-]OC1CCCC1 ZINC000379611994 330141689 /nfs/dbraw/zinc/14/16/89/330141689.db2.gz STGOZKIVEVDDMF-VURMDHGXSA-N -1 3 271.769 3.405 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])c1cccc(F)c1F ZINC000174869250 335168139 /nfs/dbraw/zinc/16/81/39/335168139.db2.gz JZRYMIOFLFKDIY-UHFFFAOYSA-N -1 3 267.206 3.062 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])[C@H]1C[C@]12CCc1ccccc12 ZINC000174898628 335168849 /nfs/dbraw/zinc/16/88/49/335168849.db2.gz YUNDOOUCCKIUMR-KDOFPFPSSA-N -1 3 297.329 3.374 20 0 CGADHM CSc1ccc(C(=O)Nc2cc(F)ccc2[O-])o1 ZINC000174892371 335168955 /nfs/dbraw/zinc/16/89/55/335168955.db2.gz SEINTMHJMCISOH-UHFFFAOYSA-N -1 3 267.281 3.099 20 0 CGADHM Cc1cc(C(=O)N2CC[C@@](F)(c3ccccc3)C2)ccc1[O-] ZINC000576362880 335195008 /nfs/dbraw/zinc/19/50/08/335195008.db2.gz GCVXKAZTXZZTNN-SFHVURJKSA-N -1 3 299.345 3.412 20 0 CGADHM C[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1[O-])C1CC1 ZINC000175824836 335205572 /nfs/dbraw/zinc/20/55/72/335205572.db2.gz OMXGCIDPYRZICF-SSDOTTSWSA-N -1 3 273.254 3.396 20 0 CGADHM O=C(Nc1cc(C(F)(F)F)ccc1[O-])[C@@H]1C[C@@H]1C1CC1 ZINC000176121523 335240662 /nfs/dbraw/zinc/24/06/62/335240662.db2.gz TVNUWHMTDSWYGK-NXEZZACHSA-N -1 3 285.265 3.396 20 0 CGADHM CCc1cccc(-c2nc([C@@H](OC)C(C)C)no2)c1[O-] ZINC000576781073 335247270 /nfs/dbraw/zinc/24/72/70/335247270.db2.gz BGKIIDXKBKPLOW-ZDUSSCGKSA-N -1 3 276.336 3.348 20 0 CGADHM COc1ccc([O-])c(-c2nc(-c3ccc(O)c(C)c3)no2)c1 ZINC000577142502 335307823 /nfs/dbraw/zinc/30/78/23/335307823.db2.gz PYKXKXDFTBVGSK-UHFFFAOYSA-N -1 3 298.298 3.132 20 0 CGADHM CCC[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(OC)c1[O-] ZINC000577477211 335356473 /nfs/dbraw/zinc/35/64/73/335356473.db2.gz RUNPOSNYELRQAB-OCCSQVGLSA-N -1 3 291.391 3.490 20 0 CGADHM CCC[C@H](CC)S(=O)(=O)[N-]c1cccc2c1ccn2C ZINC000577758033 335398020 /nfs/dbraw/zinc/39/80/20/335398020.db2.gz ONYNFELFQHTJOT-LBPRGKRZSA-N -1 3 294.420 3.499 20 0 CGADHM Cc1cc(C(=O)Nc2ccccc2[O-])c(F)cc1F ZINC000178090732 335413155 /nfs/dbraw/zinc/41/31/55/335413155.db2.gz DVGHHWQHJACTRV-UHFFFAOYSA-N -1 3 263.243 3.231 20 0 CGADHM CCC[C@@H](CC)S(=O)(=O)[N-]c1cccc2ccn(C)c21 ZINC000578239962 335590923 /nfs/dbraw/zinc/59/09/23/335590923.db2.gz ASCFRKAZLHWHBI-CYBMUJFWSA-N -1 3 294.420 3.499 20 0 CGADHM C[C@@H](NCc1cc(C(=O)[O-])co1)[C@H](C)c1ccccc1 ZINC000579245108 335727159 /nfs/dbraw/zinc/72/71/59/335727159.db2.gz FJQACYLFOOETTN-NWDGAFQWSA-N -1 3 273.332 3.260 20 0 CGADHM Cc1ccccc1[C@H]1CCCN1Cc1oncc1C(=O)[O-] ZINC000581195435 336023078 /nfs/dbraw/zinc/02/30/78/336023078.db2.gz DQHJRKOHORSKSO-CQSZACIVSA-N -1 3 286.331 3.018 20 0 CGADHM O=C([O-])c1ccc2c(c1)CN(C[C@@H]1CCCC1(F)F)CC2 ZINC000382078155 336081396 /nfs/dbraw/zinc/08/13/96/336081396.db2.gz HUKSPRPLHWFGIG-AWEZNQCLSA-N -1 3 295.329 3.178 20 0 CGADHM Cc1oc(CN2CCS[C@@H]3CCCC[C@H]32)cc1C(=O)[O-] ZINC000581553724 336101722 /nfs/dbraw/zinc/10/17/22/336101722.db2.gz BRKSNWXVKMNRQQ-ZIAGYGMSSA-N -1 3 295.404 3.146 20 0 CGADHM CC1(c2noc(-c3ccc4c(c3[O-])CCCC4)n2)CC1 ZINC000581768113 336144643 /nfs/dbraw/zinc/14/46/43/336144643.db2.gz FUICTYORAXPKRZ-UHFFFAOYSA-N -1 3 270.332 3.373 20 0 CGADHM CCc1cccc(C(=O)NC[C@@H]2CCCC2(F)F)c1[O-] ZINC000581926012 336169498 /nfs/dbraw/zinc/16/94/98/336169498.db2.gz QVWOAXRDCHNIJU-NSHDSACASA-N -1 3 283.318 3.120 20 0 CGADHM Cc1cc([C@@H](C)N2CCS[C@@H](C(C)C)C2)oc1C(=O)[O-] ZINC000581948955 336175079 /nfs/dbraw/zinc/17/50/79/336175079.db2.gz IIMHRGWOBUTKPD-DGCLKSJQSA-N -1 3 297.420 3.421 20 0 CGADHM C[C@H](CC(F)F)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000411581021 533750039 /nfs/dbraw/zinc/75/00/39/533750039.db2.gz FGGOLVMJEBGGMU-ZCFIWIBFSA-N -1 3 263.671 3.275 20 0 CGADHM Cc1cc2cc(CNC(=O)c3cccc(C)c3[O-])ccc2[nH]1 ZINC000436712485 534090074 /nfs/dbraw/zinc/09/00/74/534090074.db2.gz NVAUGHXPKKNJEM-UHFFFAOYSA-N -1 3 294.354 3.420 20 0 CGADHM Cc1ccc(-c2nc(-c3ccc4nc[nH]c4c3)no2)c([O-])c1 ZINC000436937876 534205816 /nfs/dbraw/zinc/20/58/16/534205816.db2.gz GVARFYVYMTYXBL-UHFFFAOYSA-N -1 3 292.298 3.294 20 0 CGADHM Cc1ccc(-c2nc(-c3ccc4c(c3)OCO4)no2)c([O-])c1 ZINC000436888439 534206292 /nfs/dbraw/zinc/20/62/92/534206292.db2.gz SAGUZMYDKBTMNU-UHFFFAOYSA-N -1 3 296.282 3.146 20 0 CGADHM O=C(CCCCCc1cccs1)Nc1ccncc1[O-] ZINC000358321980 534341114 /nfs/dbraw/zinc/34/11/14/534341114.db2.gz CCMAKLHIKXBPDJ-UHFFFAOYSA-N -1 3 290.388 3.012 20 0 CGADHM [O-]c1ccc(-c2noc(CCc3ccc(F)cc3)n2)cc1 ZINC000436771184 534451699 /nfs/dbraw/zinc/45/16/99/534451699.db2.gz YGLSPCJBRATADR-UHFFFAOYSA-N -1 3 284.290 3.367 20 0 CGADHM CCOCc1ccccc1CNCc1cc([O-])cc(F)c1 ZINC000184139841 520214657 /nfs/dbraw/zinc/21/46/57/520214657.db2.gz WLIYZNDPBHAHRF-UHFFFAOYSA-N -1 3 289.350 3.358 20 0 CGADHM CCOCCC(=O)Nc1cc(Cc2ccccc2)ccc1[O-] ZINC000081459796 521676450 /nfs/dbraw/zinc/67/64/50/521676450.db2.gz UWAFKHWLBNHDMS-UHFFFAOYSA-N -1 3 299.370 3.348 20 0 CGADHM Cc1cccc(C(=O)N[C@H]2CCCO[C@@H]2CC(C)C)c1[O-] ZINC000436561860 534622757 /nfs/dbraw/zinc/62/27/57/534622757.db2.gz KWOVGHISLOCQNX-LSDHHAIUSA-N -1 3 291.391 3.024 20 0 CGADHM CC[C@@H]1CCCC[C@H]1OCC(=O)Nc1ccccc1[O-] ZINC000184494700 523227833 /nfs/dbraw/zinc/22/78/33/523227833.db2.gz SHNQEMXMLCBQNI-IUODEOHRSA-N -1 3 277.364 3.316 20 0 CGADHM O=C(c1ccc([O-])cc1)C1CCN(CCCCF)CC1 ZINC000375717573 534714569 /nfs/dbraw/zinc/71/45/69/534714569.db2.gz PBYNGODDMQYTOO-UHFFFAOYSA-N -1 3 279.355 3.037 20 0 CGADHM O=C(N[C@H](C1CCCC1)C(F)(F)F)c1ccccc1[O-] ZINC000436585000 534784815 /nfs/dbraw/zinc/78/48/15/534784815.db2.gz KXLUYWHZDXTPDM-GFCCVEGCSA-N -1 3 287.281 3.243 20 0 CGADHM Cc1ccc(-c2nc(CCC(F)(F)F)no2)c([O-])c1 ZINC000094494289 525807503 /nfs/dbraw/zinc/80/75/03/525807503.db2.gz GQPPJXGCCFCTIK-UHFFFAOYSA-N -1 3 272.226 3.246 20 0 CGADHM Cc1ccsc1[C@@H](CO)NCc1cccc([O-])c1Cl ZINC000339292231 525872805 /nfs/dbraw/zinc/87/28/05/525872805.db2.gz AWTAZYFFTZIYIO-LLVKDONJSA-N -1 3 297.807 3.239 20 0 CGADHM CC(=O)c1cccc(NC(=O)[C@H]2CC3CCC2CC3)c1[O-] ZINC000515851760 534892551 /nfs/dbraw/zinc/89/25/51/534892551.db2.gz SMCOKTZWFSRYNV-YIZWMMSDSA-N -1 3 287.359 3.360 20 0 CGADHM CC(C)(CCCNCc1ccsc1Cl)C(=O)[O-] ZINC000426631151 527015467 /nfs/dbraw/zinc/01/54/67/527015467.db2.gz XEKKAVHAJFZYSE-UHFFFAOYSA-N -1 3 275.801 3.382 20 0 CGADHM CC(C)(NC(=O)c1ccccc1[O-])c1ccccc1F ZINC000169822596 527287075 /nfs/dbraw/zinc/28/70/75/527287075.db2.gz WXZJMQVWGRPDKT-UHFFFAOYSA-N -1 3 273.307 3.196 20 0 CGADHM O=C(Nc1ccccc1[O-])c1ccc(OCC2CC2)cc1 ZINC000055158270 527429508 /nfs/dbraw/zinc/42/95/08/527429508.db2.gz NSMHBQWUFIRUCE-UHFFFAOYSA-N -1 3 283.327 3.433 20 0 CGADHM O=C([O-])C1(NCc2ccc(Cl)cc2Cl)CCC1 ZINC000147302987 527559294 /nfs/dbraw/zinc/55/92/94/527559294.db2.gz RBEASURVUNQSMU-UHFFFAOYSA-N -1 3 274.147 3.090 20 0 CGADHM CC(C)CC1(CNC(=O)c2ccc(O)cc2[O-])CCC1 ZINC000436628087 527694535 /nfs/dbraw/zinc/69/45/35/527694535.db2.gz WQNYWCOVQQDNIQ-UHFFFAOYSA-N -1 3 277.364 3.044 20 0 CGADHM CC(C)c1ccc(C(=O)N2CC(C3CCC3)C2)c([O-])c1 ZINC000436863922 528060750 /nfs/dbraw/zinc/06/07/50/528060750.db2.gz KYABDCXUJOGVJT-UHFFFAOYSA-N -1 3 273.376 3.388 20 0 CGADHM CC(C)c1ccc(C(=O)NCC[C@H]2CCCCO2)c([O-])c1 ZINC000436593726 528068959 /nfs/dbraw/zinc/06/89/59/528068959.db2.gz DHCBDINGAKDEHU-CQSZACIVSA-N -1 3 291.391 3.205 20 0 CGADHM CC(C)c1cccc(S(=O)(=O)[N-][C@@H](C)C(F)(F)F)c1 ZINC000424216473 528187443 /nfs/dbraw/zinc/18/74/43/528187443.db2.gz SWGCDJRMHXTBQS-VIFPVBQESA-N -1 3 295.326 3.039 20 0 CGADHM CC(C)[C@@H](C(=O)Nc1cc(F)ccc1[O-])c1cccnc1 ZINC000436143694 528372515 /nfs/dbraw/zinc/37/25/15/528372515.db2.gz KLWKCRCEYRCXDF-OAHLLOKOSA-N -1 3 288.322 3.305 20 0 CGADHM CCCc1cc(-c2nc(-c3ccc([O-])cc3)no2)ccn1 ZINC000436947371 528561284 /nfs/dbraw/zinc/56/12/84/528561284.db2.gz LZRZWEJLNBTUJF-UHFFFAOYSA-N -1 3 281.315 3.457 20 0 CGADHM CCCC[C@@H](CC)CNC(=O)c1ccc([O-])c(OC)c1 ZINC000436636019 528780773 /nfs/dbraw/zinc/78/07/73/528780773.db2.gz PDWMXVPDFBUYTH-GFCCVEGCSA-N -1 3 279.380 3.347 20 0 CGADHM CCCSC[C@@H](NCc1ccsc1Cl)C(=O)[O-] ZINC000426764675 528829653 /nfs/dbraw/zinc/82/96/53/528829653.db2.gz AAIRRVIRUZLPEG-SECBINFHSA-N -1 3 293.841 3.088 20 0 CGADHM CCN(C(=O)c1ccc([O-])c(C)c1)c1ccc(OC)cc1 ZINC000436936121 529084708 /nfs/dbraw/zinc/08/47/08/529084708.db2.gz YJUIFUNPRZBQQG-UHFFFAOYSA-N -1 3 285.343 3.376 20 0 CGADHM CCc1cccc(Cl)c1CNCCC[C@H](C)C(=O)[O-] ZINC000426640258 529171390 /nfs/dbraw/zinc/17/13/90/529171390.db2.gz REYKQOCHDZXJET-NSHDSACASA-N -1 3 283.799 3.493 20 0 CGADHM CCSCC[C@@H](C)NC(=O)c1cc(CC)ccc1[O-] ZINC000440699651 529188004 /nfs/dbraw/zinc/18/80/04/529188004.db2.gz COIDMEITEPMWOL-LLVKDONJSA-N -1 3 281.421 3.216 20 0 CGADHM CCS[C@H]1CC[C@H](N(C)C(=O)c2cccc(C)c2[O-])C1 ZINC000175392407 529234584 /nfs/dbraw/zinc/23/45/84/529234584.db2.gz LPIYJALJPCKYMG-STQMWFEESA-N -1 3 293.432 3.447 20 0 CGADHM CCS[C@H]1CC[C@H](N(C)C(=O)c2ccccc2[O-])C1 ZINC000175392259 529234590 /nfs/dbraw/zinc/23/45/90/529234590.db2.gz MUWQKBHZBQGMEG-RYUDHWBXSA-N -1 3 279.405 3.138 20 0 CGADHM CC[C@H]1C[C@@H](C)CN1C(=O)c1ccc(C)c(C)c1[O-] ZINC000436590330 529315941 /nfs/dbraw/zinc/31/59/41/529315941.db2.gz SLEYLYJNQYYWOB-MFKMUULPSA-N -1 3 261.365 3.270 20 0 CGADHM CCO[N-]C(=O)Nc1cccc(COCc2ccco2)c1 ZINC000182937494 535725041 /nfs/dbraw/zinc/72/50/41/535725041.db2.gz KLCAIHVMCNSBFD-UHFFFAOYSA-N -1 3 290.319 3.069 20 0 CGADHM CCc1cccc(C(=O)Nc2cn(C)nc2C(C)C)c1[O-] ZINC000514702249 535855009 /nfs/dbraw/zinc/85/50/09/535855009.db2.gz ILIQZTDWUIECCC-UHFFFAOYSA-N -1 3 287.363 3.064 20 0 CGADHM CCc1cc(C(=O)N2CC[C@@H]2Cc2ccccc2)ccc1[O-] ZINC000486589220 536113113 /nfs/dbraw/zinc/11/31/13/536113113.db2.gz ZQSCSJVXEYYZGY-QGZVFWFLSA-N -1 3 295.382 3.412 20 0 CGADHM CCc1cc(C(=O)NCCc2ccc(C)cc2)ccc1[O-] ZINC000486465637 536122189 /nfs/dbraw/zinc/12/21/89/536122189.db2.gz WUTYNNNKJXANCZ-UHFFFAOYSA-N -1 3 283.371 3.236 20 0 CGADHM CCc1cc(C(=O)N[C@H](C)c2ccccc2)ccc1[O-] ZINC000486322652 536130015 /nfs/dbraw/zinc/13/00/15/536130015.db2.gz SCWNKTWZUHFIER-GFCCVEGCSA-N -1 3 269.344 3.446 20 0 CGADHM Cc1cccc2c1CCN2C([O-])=NOCc1ccccc1 ZINC000728752849 571817754 /nfs/dbraw/zinc/81/77/54/571817754.db2.gz OATCCJVARPFVRF-UHFFFAOYSA-N -1 3 282.343 3.199 20 0 CGADHM Cc1cccc2c1CCN2C(=O)[N-]OCc1ccccc1 ZINC000728752849 571817758 /nfs/dbraw/zinc/81/77/58/571817758.db2.gz OATCCJVARPFVRF-UHFFFAOYSA-N -1 3 282.343 3.199 20 0 CGADHM Cc1nc(C)c(NC(=O)c2cc3occc3[n-]2)s1 ZINC000750893259 572332315 /nfs/dbraw/zinc/33/23/15/572332315.db2.gz NZTDDSUTFFMRNZ-UHFFFAOYSA-N -1 3 261.306 3.087 20 0 CGADHM COc1ccc(NC(=O)c2cc3cc(C)ccc3[nH]2)c([O-])c1 ZINC000518473449 572332923 /nfs/dbraw/zinc/33/29/23/572332923.db2.gz WDVBICLOOMXOMR-UHFFFAOYSA-N -1 3 296.326 3.443 20 0 CGADHM Cc1ccc(NC(=O)c2cc3occc3[n-]2)cc1O ZINC000750915368 572335241 /nfs/dbraw/zinc/33/52/41/572335241.db2.gz SRWYTNVACQGEGD-UHFFFAOYSA-N -1 3 256.261 3.027 20 0 CGADHM Cc1cccc(CNc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000737393276 572339473 /nfs/dbraw/zinc/33/94/73/572339473.db2.gz HAOBPVHFKQQCAX-UHFFFAOYSA-N -1 3 299.765 3.441 20 0 CGADHM Cc1cccc(CNc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000737393276 572339476 /nfs/dbraw/zinc/33/94/76/572339476.db2.gz HAOBPVHFKQQCAX-UHFFFAOYSA-N -1 3 299.765 3.441 20 0 CGADHM CN(Cn1[n-]c(C(C)(C)C)nc1=S)CC(C)(C)C ZINC000738100449 572364404 /nfs/dbraw/zinc/36/44/04/572364404.db2.gz VUFDUMPAXHCNOG-UHFFFAOYSA-N -1 3 270.446 3.174 20 0 CGADHM c1ccc(CN(c2ccc(-c3nnn[n-]3)cc2)C2CC2)cc1 ZINC000738433926 572375618 /nfs/dbraw/zinc/37/56/18/572375618.db2.gz YWSHQOFSMAWBMN-UHFFFAOYSA-N -1 3 291.358 3.036 20 0 CGADHM c1ccc(CN(c2ccc(-c3nn[n-]n3)cc2)C2CC2)cc1 ZINC000738433926 572375622 /nfs/dbraw/zinc/37/56/22/572375622.db2.gz YWSHQOFSMAWBMN-UHFFFAOYSA-N -1 3 291.358 3.036 20 0 CGADHM O=C([O-])[C@@H](NCCOC1CCCCCC1)c1ccccc1 ZINC000738524811 572378503 /nfs/dbraw/zinc/37/85/03/572378503.db2.gz IDMPJPVEVOZSLP-INIZCTEOSA-N -1 3 291.391 3.141 20 0 CGADHM C[C@H](NC(=O)[O-])C1CCN([C@@H](C)c2ccc(F)cc2)CC1 ZINC000739030231 572408316 /nfs/dbraw/zinc/40/83/16/572408316.db2.gz YREYUPITSANNKO-RYUDHWBXSA-N -1 3 294.370 3.255 20 0 CGADHM CN(CC1CCN(C/C=C\c2ccccc2)CC1)C(=O)[O-] ZINC000739663255 572422300 /nfs/dbraw/zinc/42/23/00/572422300.db2.gz CQVFZEDXGQJHJG-YVMONPNESA-N -1 3 288.391 3.022 20 0 CGADHM [O-]c1ccc(-c2noc(CSC(F)(F)F)n2)cc1 ZINC000731789788 572426722 /nfs/dbraw/zinc/42/67/22/572426722.db2.gz FNNSZHAOPOBVIS-UHFFFAOYSA-N -1 3 276.239 3.195 20 0 CGADHM Cc1cc(N2CCC(N(C)C(=O)[O-])CC2)c2ccccc2n1 ZINC000740079162 572431066 /nfs/dbraw/zinc/43/10/66/572431066.db2.gz XWPJWDXXIUNGNQ-UHFFFAOYSA-N -1 3 299.374 3.122 20 0 CGADHM Cc1ccc([C@@H]2CCCCN2C[C@@H]2CCN(C(=O)[O-])C2)o1 ZINC000740116599 572433081 /nfs/dbraw/zinc/43/30/81/572433081.db2.gz BECYLRXZCPSSTF-KBPBESRZSA-N -1 3 292.379 3.115 20 0 CGADHM C[C@@H]([N-]C(=O)C(F)(F)c1ccc(F)cc1)c1cccnc1 ZINC000733124936 572516649 /nfs/dbraw/zinc/51/66/49/572516649.db2.gz QZQOMIAMGTVUHS-SNVBAGLBSA-N -1 3 294.276 3.190 20 0 CGADHM CC[C@H](c1ccc(F)cc1)N1CC[C@@H](NC(=O)[O-])[C@@H](C)C1 ZINC000739279525 572540971 /nfs/dbraw/zinc/54/09/71/572540971.db2.gz RPHQZEBEYCEJNO-NILFDRSVSA-N -1 3 294.370 3.255 20 0 CGADHM CC[C@H](c1ccc(F)cc1)N1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000739279521 572541056 /nfs/dbraw/zinc/54/10/56/572541056.db2.gz RPHQZEBEYCEJNO-KCPJHIHWSA-N -1 3 294.370 3.255 20 0 CGADHM O=C(O[C@H]1C=CCCC1)c1cccc(Br)c1[O-] ZINC000733490042 572581087 /nfs/dbraw/zinc/58/10/87/572581087.db2.gz DDQATVJTVRSKPT-VIFPVBQESA-N -1 3 297.148 3.420 20 0 CGADHM Cc1cccc2cc(C(=O)[N-]c3nc(C4CC4)no3)oc21 ZINC000734879111 572690188 /nfs/dbraw/zinc/69/01/88/572690188.db2.gz SXICWCQBUNRVFM-UHFFFAOYSA-N -1 3 283.287 3.254 20 0 CGADHM CC(C)CC[C@H](C)Nc1cccc(F)c1-c1nnn[n-]1 ZINC000735797742 572742894 /nfs/dbraw/zinc/74/28/94/572742894.db2.gz SLFGKJQENUDFPN-JTQLQIEISA-N -1 3 277.347 3.242 20 0 CGADHM CC(C)CC[C@H](C)Nc1cccc(F)c1-c1nn[n-]n1 ZINC000735797742 572742896 /nfs/dbraw/zinc/74/28/96/572742896.db2.gz SLFGKJQENUDFPN-JTQLQIEISA-N -1 3 277.347 3.242 20 0 CGADHM C[C@@H](N(C)c1c(F)cc(-c2nnn[n-]2)cc1F)C(C)(C)C ZINC000736099380 572768769 /nfs/dbraw/zinc/76/87/69/572768769.db2.gz VBBIEBUYQQRCHZ-MRVPVSSYSA-N -1 3 295.337 3.016 20 0 CGADHM C[C@@H](N(C)c1c(F)cc(-c2nn[n-]n2)cc1F)C(C)(C)C ZINC000736099380 572768770 /nfs/dbraw/zinc/76/87/70/572768770.db2.gz VBBIEBUYQQRCHZ-MRVPVSSYSA-N -1 3 295.337 3.016 20 0 CGADHM C[C@H]1C[C@H](C)CN(c2cccc(Cl)c2-c2nnn[n-]2)C1 ZINC000736231750 572774400 /nfs/dbraw/zinc/77/44/00/572774400.db2.gz XLJDLWXOALOQLH-UWVGGRQHSA-N -1 3 291.786 3.002 20 0 CGADHM C[C@H]1C[C@H](C)CN(c2cccc(Cl)c2-c2nn[n-]n2)C1 ZINC000736231750 572774403 /nfs/dbraw/zinc/77/44/03/572774403.db2.gz XLJDLWXOALOQLH-UWVGGRQHSA-N -1 3 291.786 3.002 20 0 CGADHM CC[C@H]1CCCN(c2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000736403573 572786833 /nfs/dbraw/zinc/78/68/33/572786833.db2.gz WGVROJVBFJKODO-JTQLQIEISA-N -1 3 291.786 3.147 20 0 CGADHM CC[C@H]1CCCN(c2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000736403573 572786836 /nfs/dbraw/zinc/78/68/36/572786836.db2.gz WGVROJVBFJKODO-JTQLQIEISA-N -1 3 291.786 3.147 20 0 CGADHM O=C(OCc1cc(Cl)ccc1Cl)c1cncc([O-])c1 ZINC000745001530 572787547 /nfs/dbraw/zinc/78/75/47/572787547.db2.gz AUQRLJFRFRTVOL-UHFFFAOYSA-N -1 3 298.125 3.451 20 0 CGADHM CC[C@H]1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736400673 572787545 /nfs/dbraw/zinc/78/75/45/572787545.db2.gz QPKJJNKQEXUIED-SMDDNHRTSA-N -1 3 271.368 3.247 20 0 CGADHM CC[C@H]1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736400673 572787548 /nfs/dbraw/zinc/78/75/48/572787548.db2.gz QPKJJNKQEXUIED-SMDDNHRTSA-N -1 3 271.368 3.247 20 0 CGADHM CCC[C@@H]1CCCC[C@H]1Nc1ccc(-c2nnn[n-]2)cn1 ZINC000736435777 572791466 /nfs/dbraw/zinc/79/14/66/572791466.db2.gz OAEOPEMEMDDWFA-DGCLKSJQSA-N -1 3 286.383 3.033 20 0 CGADHM CCC[C@@H]1CCCC[C@H]1Nc1ccc(-c2nn[n-]n2)cn1 ZINC000736435777 572791469 /nfs/dbraw/zinc/79/14/69/572791469.db2.gz OAEOPEMEMDDWFA-DGCLKSJQSA-N -1 3 286.383 3.033 20 0 CGADHM CCCCCSCCOc1ccc(-c2nnn[n-]2)cc1 ZINC000736452358 572794718 /nfs/dbraw/zinc/79/47/18/572794718.db2.gz VFGDQIFTCCDPJH-UHFFFAOYSA-N -1 3 292.408 3.169 20 0 CGADHM CCCCCSCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000736452358 572794723 /nfs/dbraw/zinc/79/47/23/572794723.db2.gz VFGDQIFTCCDPJH-UHFFFAOYSA-N -1 3 292.408 3.169 20 0 CGADHM CCc1ccc(COc2ccccc2-c2nnn[n-]2)cc1 ZINC000736690604 572805300 /nfs/dbraw/zinc/80/53/00/572805300.db2.gz LUAXFMWFSPLSPO-UHFFFAOYSA-N -1 3 280.331 3.008 20 0 CGADHM CCc1ccc(COc2ccccc2-c2nn[n-]n2)cc1 ZINC000736690604 572805305 /nfs/dbraw/zinc/80/53/05/572805305.db2.gz LUAXFMWFSPLSPO-UHFFFAOYSA-N -1 3 280.331 3.008 20 0 CGADHM Cc1cccc(C(=O)NCc2ccnc3ccccc23)c1[O-] ZINC000748805460 572984988 /nfs/dbraw/zinc/98/49/88/572984988.db2.gz CFIFQJYCKMSLLW-UHFFFAOYSA-N -1 3 292.338 3.179 20 0 CGADHM Cc1ccc([C@H](C)C(=O)Nc2cc(F)ccc2[O-])o1 ZINC000748854741 572986928 /nfs/dbraw/zinc/98/69/28/572986928.db2.gz YAZZWMHADAMXGK-VIFPVBQESA-N -1 3 263.268 3.175 20 0 CGADHM C[C@@H]1CCC[C@H](CC(=O)[N-]OCc2ccccc2)C1 ZINC000749838288 573044277 /nfs/dbraw/zinc/04/42/77/573044277.db2.gz MYXWNNLOZYXGNB-HIFRSBDPSA-N -1 3 261.365 3.451 20 0 CGADHM CC(C)CO[N-]C(=O)C[C@H]1CCCc2ccccc21 ZINC000750005865 573073006 /nfs/dbraw/zinc/07/30/06/573073006.db2.gz MZMUWPGFISGTRI-CQSZACIVSA-N -1 3 261.365 3.200 20 0 CGADHM C/C(=C/C(=O)[N-]OCC(C)C)c1ccccc1Cl ZINC000750028413 573075971 /nfs/dbraw/zinc/07/59/71/573075971.db2.gz QDUZGKABYCGHMX-FLIBITNWSA-N -1 3 267.756 3.447 20 0 CGADHM O=C([O-])c1ccc(CN[C@@H]2CSCc3ccccc32)cc1 ZINC000819676061 597247215 /nfs/dbraw/zinc/24/72/15/597247215.db2.gz GRTAEPGYPBMOSW-MRXNPFEDSA-N -1 3 299.395 3.463 20 0 CGADHM CN(CC1CCCC1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736792663 598667959 /nfs/dbraw/zinc/66/79/59/598667959.db2.gz GPDDOBMJRSWQFD-UHFFFAOYSA-N -1 3 291.786 3.147 20 0 CGADHM CN(CC1CCCC1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736792663 598667961 /nfs/dbraw/zinc/66/79/61/598667961.db2.gz GPDDOBMJRSWQFD-UHFFFAOYSA-N -1 3 291.786 3.147 20 0 CGADHM Clc1cscc1C=Cc1ccc(-c2nnn[n-]2)cn1 ZINC000822591830 607368178 /nfs/dbraw/zinc/36/81/78/607368178.db2.gz XTRHZAGWMPJSEL-RQOWECAXSA-N -1 3 289.751 3.147 20 0 CGADHM Clc1cscc1C=Cc1ccc(-c2nn[n-]n2)cn1 ZINC000822591830 607368180 /nfs/dbraw/zinc/36/81/80/607368180.db2.gz XTRHZAGWMPJSEL-RQOWECAXSA-N -1 3 289.751 3.147 20 0 CGADHM COc1ccc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821835385 599363457 /nfs/dbraw/zinc/36/34/57/599363457.db2.gz JDBJAKGGMCRBCZ-LLVKDONJSA-N -1 3 295.346 3.048 20 0 CGADHM COc1ccc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821835385 599363460 /nfs/dbraw/zinc/36/34/60/599363460.db2.gz JDBJAKGGMCRBCZ-LLVKDONJSA-N -1 3 295.346 3.048 20 0 CGADHM C[C@H](c1ccc(F)c(F)c1)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000405355416 600302008 /nfs/dbraw/zinc/30/20/08/600302008.db2.gz IGSZSCJBMLVANN-ZYHUDNBSSA-N -1 3 295.329 3.213 20 0 CGADHM COc1ccccc1[C@H]1CCCCN1C/C=C(/C)C(=O)[O-] ZINC000832602869 601165158 /nfs/dbraw/zinc/16/51/58/601165158.db2.gz WRJMUNPRACVXCS-VSKPTYQZSA-N -1 3 289.375 3.253 20 0 CGADHM Cc1ncc(CN[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])s1 ZINC000833008575 601203568 /nfs/dbraw/zinc/20/35/68/601203568.db2.gz JZAZTPRGJBAYKB-YGRLFVJLSA-N -1 3 290.388 3.003 20 0 CGADHM Cc1[n-]n(-c2cc(F)cc(F)c2F)c(=O)c1C(C)C ZINC000899356235 620651647 /nfs/dbraw/zinc/65/16/47/620651647.db2.gz IRLJMOWXTBQJPS-LLVKDONJSA-N -1 3 270.254 3.099 20 0 CGADHM C[C@H](c1cccc(O)c1)N(C)Cc1ccc(C(=O)[O-])s1 ZINC000827940266 601951997 /nfs/dbraw/zinc/95/19/97/601951997.db2.gz GDMOTPIQYYSNFD-SNVBAGLBSA-N -1 3 291.372 3.345 20 0 CGADHM Cc1ccc2c(c1)[C@@H](NCc1ccc(NC(=O)[O-])nc1)CC2 ZINC000830446574 603549550 /nfs/dbraw/zinc/54/95/50/603549550.db2.gz RBBKVQJVDOOZAN-HNNXBMFYSA-N -1 3 297.358 3.257 20 0 CGADHM CC(C)N(CCCN[C@H](C)c1cccnc1Cl)C(=O)[O-] ZINC000825489402 604277082 /nfs/dbraw/zinc/27/70/82/604277082.db2.gz AGBVZAKQCXJFOS-LLVKDONJSA-N -1 3 299.802 3.164 20 0 CGADHM C[C@@H](NC(=O)[O-])c1ccc(CN[C@@H](C)c2cccnc2)cc1 ZINC000825501270 604304351 /nfs/dbraw/zinc/30/43/51/604304351.db2.gz BVPPRVLIRJTTFV-QWHCGFSZSA-N -1 3 299.374 3.261 20 0 CGADHM CCc1ccc(CN(CCC(=O)[O-])Cc2ccccc2)o1 ZINC000701268637 604540318 /nfs/dbraw/zinc/54/03/18/604540318.db2.gz YHQGMLQFNMIJDP-UHFFFAOYSA-N -1 3 287.359 3.319 20 0 CGADHM O=C([O-])c1cc(CN2CCCCC[C@@H]2c2ccco2)c[nH]1 ZINC000833778853 604654390 /nfs/dbraw/zinc/65/43/90/604654390.db2.gz FLKWQLWVSYPSGJ-CQSZACIVSA-N -1 3 288.347 3.423 20 0 CGADHM CC(C)(C(=O)[O-])[C@H](NCc1ccccn1)c1ccccc1 ZINC000833412470 605180535 /nfs/dbraw/zinc/18/05/35/605180535.db2.gz ADZHRRVLVBFNBF-OAHLLOKOSA-N -1 3 284.359 3.023 20 0 CGADHM Cc1cnc([C@H](C)N[C@@H](C)C[C@@H]2CCCN2C(=O)[O-])s1 ZINC000830625757 605513434 /nfs/dbraw/zinc/51/34/34/605513434.db2.gz URGCAVYKXJZGQX-DLOVCJGASA-N -1 3 297.424 3.023 20 0 CGADHM CCc1ccc(NCc2ccc(-c3nnn[n-]3)s2)cc1 ZINC000821486218 606410663 /nfs/dbraw/zinc/41/06/63/606410663.db2.gz AFTBHRZWEONPAB-UHFFFAOYSA-N -1 3 285.376 3.103 20 0 CGADHM Cc1ccc(NCc2ccccc2-c2nnn[n-]2)cc1C ZINC000822259219 606625795 /nfs/dbraw/zinc/62/57/95/606625795.db2.gz PYPOKFWKXLJMPI-UHFFFAOYSA-N -1 3 279.347 3.096 20 0 CGADHM Cc1ccc(NCc2ccccc2-c2nn[n-]n2)cc1C ZINC000822259219 606625797 /nfs/dbraw/zinc/62/57/97/606625797.db2.gz PYPOKFWKXLJMPI-UHFFFAOYSA-N -1 3 279.347 3.096 20 0 CGADHM COc1ccccc1CSc1cccc(-c2nnn[n-]2)c1 ZINC000821896746 607015606 /nfs/dbraw/zinc/01/56/06/607015606.db2.gz AJNMDAXBHWQNMH-UHFFFAOYSA-N -1 3 298.371 3.168 20 0 CGADHM COc1ccccc1CSc1cccc(-c2nn[n-]n2)c1 ZINC000821896746 607015608 /nfs/dbraw/zinc/01/56/08/607015608.db2.gz AJNMDAXBHWQNMH-UHFFFAOYSA-N -1 3 298.371 3.168 20 0 CGADHM CC=C(C=CC(=O)Nc1cc(-c2nnn[n-]2)ccc1C)CC ZINC000820832675 607017025 /nfs/dbraw/zinc/01/70/25/607017025.db2.gz MPXAPUXTETVKFV-ZMYUOXORSA-N -1 3 297.362 3.026 20 0 CGADHM CC=C(C=CC(=O)Nc1cc(-c2nn[n-]n2)ccc1C)CC ZINC000820832675 607017026 /nfs/dbraw/zinc/01/70/26/607017026.db2.gz MPXAPUXTETVKFV-ZMYUOXORSA-N -1 3 297.362 3.026 20 0 CGADHM CC[C@@H](C)Nc1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000820875799 607172749 /nfs/dbraw/zinc/17/27/49/607172749.db2.gz GEYQIVWTWNWVDQ-SSDOTTSWSA-N -1 3 285.273 3.096 20 0 CGADHM CC[C@@H](C)Nc1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000820875799 607172750 /nfs/dbraw/zinc/17/27/50/607172750.db2.gz GEYQIVWTWNWVDQ-SSDOTTSWSA-N -1 3 285.273 3.096 20 0 CGADHM Fc1cc(-c2nnn[n-]2)cc(F)c1NCCC1=CCCC1 ZINC000826371767 607809620 /nfs/dbraw/zinc/80/96/20/607809620.db2.gz SZZUBLXBGGKAFN-UHFFFAOYSA-N -1 3 291.305 3.057 20 0 CGADHM Fc1cc(-c2nn[n-]n2)cc(F)c1NCCC1=CCCC1 ZINC000826371767 607809621 /nfs/dbraw/zinc/80/96/21/607809621.db2.gz SZZUBLXBGGKAFN-UHFFFAOYSA-N -1 3 291.305 3.057 20 0 CGADHM CCc1ccc(NCc2cccc(-c3nnn[n-]3)c2F)cc1 ZINC000825717737 608478376 /nfs/dbraw/zinc/47/83/76/608478376.db2.gz OXYATHYRFWCGRU-UHFFFAOYSA-N -1 3 297.337 3.180 20 0 CGADHM CCc1ccc(NCc2cccc(-c3nn[n-]n3)c2F)cc1 ZINC000825717737 608478378 /nfs/dbraw/zinc/47/83/78/608478378.db2.gz OXYATHYRFWCGRU-UHFFFAOYSA-N -1 3 297.337 3.180 20 0 CGADHM Cc1occc1SCc1ccccc1-c1nnn[n-]1 ZINC000826342187 609179297 /nfs/dbraw/zinc/17/92/97/609179297.db2.gz AAKSFNFSPZFQDX-UHFFFAOYSA-N -1 3 272.333 3.060 20 0 CGADHM Cc1occc1SCc1ccccc1-c1nn[n-]n1 ZINC000826342187 609179298 /nfs/dbraw/zinc/17/92/98/609179298.db2.gz AAKSFNFSPZFQDX-UHFFFAOYSA-N -1 3 272.333 3.060 20 0 CGADHM Cc1ccc(F)c(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826289749 609255455 /nfs/dbraw/zinc/25/54/55/609255455.db2.gz LHFKJKHXVVFFLW-NSHDSACASA-N -1 3 297.337 3.487 20 0 CGADHM Cc1ccc(F)c(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826289749 609255457 /nfs/dbraw/zinc/25/54/57/609255457.db2.gz LHFKJKHXVVFFLW-NSHDSACASA-N -1 3 297.337 3.487 20 0 CGADHM O=C(/C=C\c1cccs1)Nc1cccc([O-])c1F ZINC000255035018 617760934 /nfs/dbraw/zinc/76/09/34/617760934.db2.gz UIDGXUBIVHTFFA-SREVYHEPSA-N -1 3 263.293 3.245 20 0 CGADHM O=C(Cc1cccc2ccccc21)[N-]OC/C=C\Cl ZINC000812400892 617771160 /nfs/dbraw/zinc/77/11/60/617771160.db2.gz FBHNKIYMIGJSAC-WTKPLQERSA-N -1 3 275.735 3.183 20 0 CGADHM CC1(C)[C@H](C(=O)[N-]OCc2cccnc2)[C@H]1c1ccccc1 ZINC000866862228 618496893 /nfs/dbraw/zinc/49/68/93/618496893.db2.gz DKDITLUYUQRLBL-CVEARBPZSA-N -1 3 296.370 3.069 20 0 CGADHM O=C(OCCc1cccs1)c1cc(-c2ccco2)[n-]n1 ZINC000065662120 618743217 /nfs/dbraw/zinc/74/32/17/618743217.db2.gz RPCJFWYEMMLAKH-UHFFFAOYSA-N -1 3 288.328 3.131 20 0 CGADHM O=C(OCCc1cccs1)c1cc(-c2ccco2)n[n-]1 ZINC000065662120 618743220 /nfs/dbraw/zinc/74/32/20/618743220.db2.gz RPCJFWYEMMLAKH-UHFFFAOYSA-N -1 3 288.328 3.131 20 0 CGADHM CC(C)OC(=O)c1cccc2[n-]c(C(F)F)nc21 ZINC000924082743 618876201 /nfs/dbraw/zinc/87/62/01/618876201.db2.gz BJTDETJRUCOTMN-UHFFFAOYSA-N -1 3 254.236 3.066 20 0 CGADHM CC(Cl)(Cl)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000180780677 619019312 /nfs/dbraw/zinc/01/93/12/619019312.db2.gz GVXSTLWWEAJGJZ-UHFFFAOYSA-N -1 3 268.527 3.178 20 0 CGADHM CCn1c2ccccc2nc1[C@H](C)Nc1cc(=O)[n-]c(C)n1 ZINC000893191200 619023460 /nfs/dbraw/zinc/02/34/60/619023460.db2.gz KPBAFVSZYGAKSC-JTQLQIEISA-N -1 3 297.362 3.033 20 0 CGADHM Cc1ccc(CN2CCC(CC(=O)[O-])CC2)cc1Cl ZINC000235869787 619302882 /nfs/dbraw/zinc/30/28/82/619302882.db2.gz WVFMRWDDMHLBSY-UHFFFAOYSA-N -1 3 281.783 3.335 20 0 CGADHM [O-]c1ccc(CN2CCC=C(Br)C2)cc1F ZINC000894246089 619440347 /nfs/dbraw/zinc/44/03/47/619440347.db2.gz ITFLDRCERPAHTO-UHFFFAOYSA-N -1 3 286.144 3.016 20 0 CGADHM C[C@@H](CC(=O)[N-]OCc1ccccn1)CC(C)(C)C ZINC000909526819 619871779 /nfs/dbraw/zinc/87/17/79/619871779.db2.gz RFYVLIUFBTZKKA-LBPRGKRZSA-N -1 3 264.369 3.092 20 0 CGADHM C[C@@H](C(=O)[O-])N(Cc1cc(Cl)ccc1Cl)C1CC1 ZINC000263354597 620312857 /nfs/dbraw/zinc/31/28/57/620312857.db2.gz RCCIBHDMXMNJNB-QMMMGPOBSA-N -1 3 288.174 3.431 20 0 CGADHM C[C@H]1[C@@H](C(F)(F)F)CCN1Cc1cccc(C(=O)[O-])c1 ZINC000263405438 620316929 /nfs/dbraw/zinc/31/69/29/620316929.db2.gz JLZPJWYJMXYUPS-CABZTGNLSA-N -1 3 287.281 3.158 20 0 CGADHM CCCCCC[C@@H](CC)C(=O)NCc1nc(C)cc(=O)[n-]1 ZINC000898262545 620500683 /nfs/dbraw/zinc/50/06/83/620500683.db2.gz FVMUMOBTOZTDPQ-CYBMUJFWSA-N -1 3 293.411 3.103 20 0 CGADHM CC(C)(C)CC(=O)[N-]OCc1ccc(Cl)cc1F ZINC000842062083 620607865 /nfs/dbraw/zinc/60/78/65/620607865.db2.gz XLGNHCOSEQBOAY-UHFFFAOYSA-N -1 3 273.735 3.463 20 0 CGADHM C[C@H]([N-]c1nnc([C@H]2CCCO2)o1)c1cccs1 ZINC000901407883 620878274 /nfs/dbraw/zinc/87/82/74/620878274.db2.gz FHHRLYXWKWJTJZ-DTWKUNHWSA-N -1 3 265.338 3.156 20 0 CGADHM O=C([O-])C1(CNCc2csc(C3CC3)n2)CCCCC1 ZINC000901784985 621024374 /nfs/dbraw/zinc/02/43/74/621024374.db2.gz YQWFZKGEQVNRAT-UHFFFAOYSA-N -1 3 294.420 3.145 20 0 CGADHM O=C([O-])CCN(Cc1ccc(C(F)(F)F)s1)C1CC1 ZINC000901972790 621084917 /nfs/dbraw/zinc/08/49/17/621084917.db2.gz UKDNVERVUBHESJ-UHFFFAOYSA-N -1 3 293.310 3.206 20 0 CGADHM CCCc1ccc(CN2CC[C@@H](C)C[C@@H]2C(=O)[O-])s1 ZINC000902016147 621102475 /nfs/dbraw/zinc/10/24/75/621102475.db2.gz KRKMFIVMLATQBZ-BXUZGUMPSA-N -1 3 281.421 3.386 20 0 CGADHM CCOc1ccc(CNCc2cc(C(=O)[O-])cs2)cc1 ZINC000902103884 621136740 /nfs/dbraw/zinc/13/67/40/621136740.db2.gz FFLQBYRNIZCJMP-UHFFFAOYSA-N -1 3 291.372 3.135 20 0 CGADHM O=C([O-])c1occc1CN[C@@H]1CCCc2ccc(F)cc21 ZINC000902447195 621328198 /nfs/dbraw/zinc/32/81/98/621328198.db2.gz ZVGZULDXBXTYIK-CQSZACIVSA-N -1 3 289.306 3.284 20 0 CGADHM Cc1cc(C)nc(CO[N-]C(=O)CCCc2ccccc2)c1 ZINC000902703839 621408298 /nfs/dbraw/zinc/40/82/98/621408298.db2.gz BWWNQBLRDJTHDW-UHFFFAOYSA-N -1 3 298.386 3.269 20 0 CGADHM CC[C@H](C)[C@@H](C(=O)[O-])N1CCC[C@H]1c1ccc(COC)o1 ZINC000903597342 621774140 /nfs/dbraw/zinc/77/41/40/621774140.db2.gz LNDKYGWJMZPNOM-WHOFXGATSA-N -1 3 295.379 3.062 20 0 CGADHM Cc1ccccc1[C@H]1CCCN1Cc1cncc(C(=O)[O-])c1 ZINC000903887581 621821994 /nfs/dbraw/zinc/82/19/94/621821994.db2.gz WNUXPXBXOMDYEX-QGZVFWFLSA-N -1 3 296.370 3.425 20 0 CGADHM CC(C)C1(C)CCN(Cc2cncc(C(=O)[O-])c2)CC1 ZINC000903895552 621828251 /nfs/dbraw/zinc/82/82/51/621828251.db2.gz IIIWEBGRUIIHLC-UHFFFAOYSA-N -1 3 276.380 3.038 20 0 CGADHM C[C@]1(NCc2ccc(C(=O)[O-])cc2)CCOc2ccccc21 ZINC000904261694 621898116 /nfs/dbraw/zinc/89/81/16/621898116.db2.gz JUTRYJJCOXXBEZ-SFHVURJKSA-N -1 3 297.354 3.172 20 0 CGADHM [O-]c1ccc(Cc2nc(Cc3cccs3)no2)cc1F ZINC000904343963 621910353 /nfs/dbraw/zinc/91/03/53/621910353.db2.gz PHRIQLWSICDZFS-UHFFFAOYSA-N -1 3 290.319 3.157 20 0 CGADHM COc1ccc([C@H](C)NCc2ccoc2C(=O)[O-])cc1C ZINC000905726649 622101212 /nfs/dbraw/zinc/10/12/12/622101212.db2.gz DWFREDLENVIMJK-NSHDSACASA-N -1 3 289.331 3.146 20 0 CGADHM COc1cccc([O-])c1C(=O)N1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000907296992 622290954 /nfs/dbraw/zinc/29/09/54/622290954.db2.gz UIOXXDYXCZDVJC-PXAZEXFGSA-N -1 3 289.375 3.053 20 0 CGADHM C[C@H]1CCCC[C@H]1OCCOC(=O)c1ccc([O-])cc1 ZINC000058651179 622943724 /nfs/dbraw/zinc/94/37/24/622943724.db2.gz YBGMRTQAIUSKMS-SWLSCSKDSA-N -1 3 278.348 3.144 20 0 CGADHM CC[C@@]1(C(=O)[O-])CCCN(Cc2ccc(F)cc2F)C1 ZINC000062877137 623273022 /nfs/dbraw/zinc/27/30/22/623273022.db2.gz BKTHZGXVDZDRAC-OAHLLOKOSA-N -1 3 283.318 3.042 20 0 CGADHM CC1=CC[C@](C)(C(=O)[N-]OCCC(F)(F)F)CC1 ZINC000832553228 623743131 /nfs/dbraw/zinc/74/31/31/623743131.db2.gz NKWDNBCUDUITRL-NSHDSACASA-N -1 3 265.275 3.123 20 0 CGADHM CCOc1ccc(N(C)C(=O)c2ccc(C)cc2[O-])cc1 ZINC000155144168 624435110 /nfs/dbraw/zinc/43/51/10/624435110.db2.gz FPMDMRPNVFYLBP-UHFFFAOYSA-N -1 3 285.343 3.376 20 0 CGADHM Cc1cc(COC(=O)c2ccc([O-])cc2)c(C)s1 ZINC000920497082 624505594 /nfs/dbraw/zinc/50/55/94/624505594.db2.gz ZJGZXEWPCLAIEC-UHFFFAOYSA-N -1 3 262.330 3.428 20 0 CGADHM C[C@H](CN(Cc1ccco1)Cc1ccccc1)C(=O)[O-] ZINC000071736193 625144015 /nfs/dbraw/zinc/14/40/15/625144015.db2.gz FVVSYCCMBVWULX-CYBMUJFWSA-N -1 3 273.332 3.003 20 0 CGADHM O=C(CCC1CCCC1)[N-]OCc1ccc(F)cc1 ZINC000184233485 625214877 /nfs/dbraw/zinc/21/48/77/625214877.db2.gz ULYPFSNPOFVKTM-UHFFFAOYSA-N -1 3 265.328 3.344 20 0 CGADHM O=C(Cc1ccccc1Cl)[N-]OCc1ccc(F)cc1 ZINC000184262284 625216718 /nfs/dbraw/zinc/21/67/18/625216718.db2.gz HNFUQJMJXJURSY-UHFFFAOYSA-N -1 3 293.725 3.270 20 0 CGADHM CCc1cccc(C(=O)N2CC[C@H](O)c3ccccc32)c1[O-] ZINC000889263494 625834719 /nfs/dbraw/zinc/83/47/19/625834719.db2.gz AALOCAZZUIBEPT-INIZCTEOSA-N -1 3 297.354 3.039 20 0 CGADHM Cc1ccc(CN2CCCC[C@@H]2CCC(=O)[O-])nc1Cl ZINC000873642120 634469975 /nfs/dbraw/zinc/46/99/75/634469975.db2.gz NPONUWMCTJIFJU-CYBMUJFWSA-N -1 3 296.798 3.263 20 0 CGADHM CCO[C@H](C(=O)Nc1cc(F)ccc1[O-])C1CCCC1 ZINC000867006377 626324750 /nfs/dbraw/zinc/32/47/50/626324750.db2.gz JTFYCELZWBURGY-AWEZNQCLSA-N -1 3 281.327 3.065 20 0 CGADHM Cc1csc(C(=O)[N-]c2c(C)onc2OC(F)F)c1 ZINC000839343242 626340618 /nfs/dbraw/zinc/34/06/18/626340618.db2.gz VSIZAIFESLVSDD-UHFFFAOYSA-N -1 3 288.275 3.207 20 0 CGADHM CCCCC[C@@H](C(=O)[N-]O[C@@H]1CCCCO1)C(C)C ZINC000755281734 626611671 /nfs/dbraw/zinc/61/16/71/626611671.db2.gz UZUCGQYHKVOELN-ZIAGYGMSSA-N -1 3 271.401 3.413 20 0 CGADHM C[C@H]1CCc2ccccc2[C@H]1[N-]C(=O)C(F)(F)C(F)F ZINC000762720224 627122251 /nfs/dbraw/zinc/12/22/51/627122251.db2.gz BIKBWSFKDLRICY-KWQFWETISA-N -1 3 289.272 3.327 20 0 CGADHM O=c1ccnc(C=Cc2cnc(-c3ccccc3)s2)[n-]1 ZINC000764441391 627207956 /nfs/dbraw/zinc/20/79/56/627207956.db2.gz HUBKZFJRMYSFHQ-SREVYHEPSA-N -1 3 281.340 3.476 20 0 CGADHM CCC/C=C\C(=O)NCc1ccc([O-])c(Br)c1 ZINC000769593439 627568247 /nfs/dbraw/zinc/56/82/47/627568247.db2.gz YQNNVBOECDPUCM-PLNGDYQASA-N -1 3 298.180 3.127 20 0 CGADHM CC(C)c1nsc([N-]C(=O)c2ncsc2C(C)C)n1 ZINC000874693456 634593047 /nfs/dbraw/zinc/59/30/47/634593047.db2.gz CPCHQZIANCCBEG-UHFFFAOYSA-N -1 3 296.421 3.494 20 0 CGADHM CC(=O)c1ccc(C(=O)[N-]c2nc(C(C)C)ns2)s1 ZINC000874697895 634596361 /nfs/dbraw/zinc/59/63/61/634596361.db2.gz IIJQOMXLJPBUSA-UHFFFAOYSA-N -1 3 295.389 3.178 20 0 CGADHM Cc1cccc(C2=CCN(Cc3nc(C)cc(=O)[n-]3)CC2)c1 ZINC000771464948 627711826 /nfs/dbraw/zinc/71/18/26/627711826.db2.gz QZPFLTQPDOWLGH-UHFFFAOYSA-N -1 3 295.386 3.088 20 0 CGADHM C[C@H](CC(=O)[N-]Oc1ccccc1)c1cccc(F)c1 ZINC000773465521 627886363 /nfs/dbraw/zinc/88/63/63/627886363.db2.gz FSQAALYTQQLYQS-GFCCVEGCSA-N -1 3 273.307 3.430 20 0 CGADHM Cc1ccc2c(CCC(=O)[N-]OC3CCCC3)c[nH]c2c1 ZINC000774866153 628043526 /nfs/dbraw/zinc/04/35/26/628043526.db2.gz QSQNMYJLQJLJJF-UHFFFAOYSA-N -1 3 286.375 3.399 20 0 CGADHM Cc1cccc(C)c1OCCC(=O)[N-]OC1CCCCC1 ZINC000777960438 628314697 /nfs/dbraw/zinc/31/46/97/628314697.db2.gz VXAPSOXMEMGJBV-UHFFFAOYSA-N -1 3 291.391 3.453 20 0 CGADHM O=C(Cc1ccccc1Cl)[N-]OC1CCCCC1 ZINC000777961693 628315566 /nfs/dbraw/zinc/31/55/66/628315566.db2.gz KLAIUULIWPOJOO-UHFFFAOYSA-N -1 3 267.756 3.263 20 0 CGADHM Cc1cc(F)ccc1COC(=O)c1ccc([O-])cc1 ZINC000785002784 628847512 /nfs/dbraw/zinc/84/75/12/628847512.db2.gz YKLXFVSHBOBNLC-UHFFFAOYSA-N -1 3 260.264 3.197 20 0 CGADHM CCc1ccccc1CC(=O)[N-]OC1CCCCC1 ZINC000785597947 628873462 /nfs/dbraw/zinc/87/34/62/628873462.db2.gz LWUARIZVVGZFPL-UHFFFAOYSA-N -1 3 261.365 3.172 20 0 CGADHM COC(=O)c1cnc(SCCC2CCCCC2)[n-]1 ZINC000788508049 629058876 /nfs/dbraw/zinc/05/88/76/629058876.db2.gz ACSCTDKJCMOPHH-UHFFFAOYSA-N -1 3 268.382 3.259 20 0 CGADHM C/C=C(/CC)C(=O)Nc1ccc(Br)cc1[O-] ZINC000789737601 629165515 /nfs/dbraw/zinc/16/55/15/629165515.db2.gz JZZZIOLSCDNNDE-BAQGIRSFSA-N -1 3 284.153 3.450 20 0 CGADHM COc1ccc(NC(=O)c2cc([O-])c3ccccc3c2)nc1 ZINC000792198113 629348834 /nfs/dbraw/zinc/34/88/34/629348834.db2.gz AZTZYBJLXFYZHD-UHFFFAOYSA-N -1 3 294.310 3.201 20 0 CGADHM CC(C)CO[N-]C(=O)CCSCc1ccccc1 ZINC000792270432 629353323 /nfs/dbraw/zinc/35/33/23/629353323.db2.gz DKUAZQNPEHOUAF-UHFFFAOYSA-N -1 3 267.394 3.014 20 0 CGADHM [O-]c1ccc(F)c(CN2CC[C@H]3CC[C@@H](C2)S3)c1F ZINC000862473199 629383957 /nfs/dbraw/zinc/38/39/57/629383957.db2.gz IPRVUYCDCKBKGN-ZJUUUORDSA-N -1 3 285.359 3.140 20 0 CGADHM O=C(CCC(F)F)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000793710386 629496819 /nfs/dbraw/zinc/49/68/19/629496819.db2.gz ZBGIUNKADDANEV-UHFFFAOYSA-N -1 3 297.223 3.299 20 0 CGADHM Cc1cc(C)c(C(=O)Nc2cc(F)ccc2[O-])cc1C=O ZINC000793735354 629499084 /nfs/dbraw/zinc/49/90/84/629499084.db2.gz LBWNFAGFTCDZKU-UHFFFAOYSA-N -1 3 287.290 3.213 20 0 CGADHM CCCCC[C@H](CC)C(=O)Nc1cnc(C(=O)OCC)[n-]1 ZINC000793965261 629509226 /nfs/dbraw/zinc/50/92/26/629509226.db2.gz VTVSVRXZENGRON-NSHDSACASA-N -1 3 295.383 3.131 20 0 CGADHM CCCCC[C@H](CC)C(=O)Nc1c[n-]c(C(=O)OCC)n1 ZINC000793965261 629509232 /nfs/dbraw/zinc/50/92/32/629509232.db2.gz VTVSVRXZENGRON-NSHDSACASA-N -1 3 295.383 3.131 20 0 CGADHM CCCCCC[C@@H](C)C(=O)Nc1cnc(C(=O)OCC)[n-]1 ZINC000793963180 629509390 /nfs/dbraw/zinc/50/93/90/629509390.db2.gz FMSORTURHJHOBR-LLVKDONJSA-N -1 3 295.383 3.131 20 0 CGADHM CCCCCC[C@@H](C)C(=O)Nc1c[n-]c(C(=O)OCC)n1 ZINC000793963180 629509396 /nfs/dbraw/zinc/50/93/96/629509396.db2.gz FMSORTURHJHOBR-LLVKDONJSA-N -1 3 295.383 3.131 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)CCc1cnc2ccccc2c1 ZINC000794843439 629587039 /nfs/dbraw/zinc/58/70/39/629587039.db2.gz QZMMUIIYCSVEIS-CYBMUJFWSA-N -1 3 286.375 3.261 20 0 CGADHM COC(C)(C)c1ccc(-c2ccc(=O)[n-]c2F)cc1 ZINC000863717338 629659057 /nfs/dbraw/zinc/65/90/57/629659057.db2.gz RKIVTOAKABHJLD-UHFFFAOYSA-N -1 3 261.296 3.475 20 0 CGADHM CO[C@@H]1CC[C@@H](C)N(Cc2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC000864054026 629749307 /nfs/dbraw/zinc/74/93/07/629749307.db2.gz OAAKOEDJRHURON-ZYHUDNBSSA-N -1 3 297.782 3.038 20 0 CGADHM COc1cc(C(=O)OC[C@@H](C)CC(C)C)cc(OC)c1[O-] ZINC000798642860 630080292 /nfs/dbraw/zinc/08/02/92/630080292.db2.gz YVYJQVKHFAXGAZ-NSHDSACASA-N -1 3 296.363 3.248 20 0 CGADHM O=C(c1cc([O-])c2ccccc2c1)N1CCC[C@@H]2C[C@@H]21 ZINC000804294426 630516502 /nfs/dbraw/zinc/51/65/02/630516502.db2.gz BKYGEWVMOUEMAK-DOMZBBRYSA-N -1 3 267.328 3.170 20 0 CGADHM CCc1ccc(NC([O-])=NO[C@@H]2CCCCO2)cc1Cl ZINC000806679264 630573372 /nfs/dbraw/zinc/57/33/72/630573372.db2.gz GVXKFUFVRSBNND-CYBMUJFWSA-N -1 3 298.770 3.482 20 0 CGADHM CCc1ccc(NC(=O)[N-]O[C@@H]2CCCCO2)cc1Cl ZINC000806679264 630573376 /nfs/dbraw/zinc/57/33/76/630573376.db2.gz GVXKFUFVRSBNND-CYBMUJFWSA-N -1 3 298.770 3.482 20 0 CGADHM Cc1ccc(C(=O)Nc2ccc(Cl)nc2)c([O-])c1 ZINC000103746833 630909857 /nfs/dbraw/zinc/90/98/57/630909857.db2.gz WXBZUZOFJXJFJZ-UHFFFAOYSA-N -1 3 262.696 3.001 20 0 CGADHM CC(=O)[C@H](C)OC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000811395099 631062265 /nfs/dbraw/zinc/06/22/65/631062265.db2.gz VEEHIBVNTDXBKC-LURJTMIESA-N -1 3 271.725 3.017 20 0 CGADHM O=C(Cc1c[nH]c2ccc(Cl)cc12)[N-]OC/C=C/Cl ZINC000812399770 631245010 /nfs/dbraw/zinc/24/50/10/631245010.db2.gz BBACZWICJPSFIQ-DAFODLJHSA-N -1 3 299.157 3.164 20 0 CGADHM C[C@@H]1C[C@H]1c1ccc(CCC(=O)[N-]OC/C=C\Cl)o1 ZINC000812406989 631247238 /nfs/dbraw/zinc/24/72/38/631247238.db2.gz UBIGTBVCWRBBGN-ZSUPTSLPSA-N -1 3 283.755 3.136 20 0 CGADHM O=C(C[C@@H]1CCCc2ccccc21)[N-]OC/C=C\Cl ZINC000812407242 631248576 /nfs/dbraw/zinc/24/85/76/631248576.db2.gz IEFRFSDAUGQUNG-PRUHKGEBSA-N -1 3 279.767 3.297 20 0 CGADHM Cc1ccc(C)c(OCCCCC(=O)[N-]OC2CCC2)c1 ZINC000812791329 631311180 /nfs/dbraw/zinc/31/11/80/631311180.db2.gz NMNNRPPXZDFJDN-UHFFFAOYSA-N -1 3 291.391 3.453 20 0 CGADHM Cc1ccc(OCCCC(=O)[N-]OC2CCC2)cc1C ZINC000812796191 631313021 /nfs/dbraw/zinc/31/30/21/631313021.db2.gz LFKUFYDYRCRBHA-UHFFFAOYSA-N -1 3 277.364 3.063 20 0 CGADHM O=C(OCC[C@@H]1CCOC1)c1cc2cc(Cl)sc2[n-]1 ZINC000816436228 631977276 /nfs/dbraw/zinc/97/72/76/631977276.db2.gz GTKMMPXBONCTHC-QMMMGPOBSA-N -1 3 299.779 3.466 20 0 CGADHM COc1cccc(NCc2c(F)ccc([O-])c2F)c1F ZINC000816571161 632016572 /nfs/dbraw/zinc/01/65/72/632016572.db2.gz 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ZINC000104575182 635252411 /nfs/dbraw/zinc/25/24/11/635252411.db2.gz OJAWZIWXFVBCMH-UHFFFAOYSA-N -1 3 286.327 3.190 20 0 CGADHM CCCCc1nnc([N-]C(=O)c2cc(C)co2)s1 ZINC000878069910 635344006 /nfs/dbraw/zinc/34/40/06/635344006.db2.gz ZCPPMHIZWICRPJ-UHFFFAOYSA-N -1 3 265.338 3.034 20 0 CGADHM CCCO[N-]C(=O)CCSc1nc2ccccc2s1 ZINC000844080741 635816267 /nfs/dbraw/zinc/81/62/67/635816267.db2.gz LQSQUGQNAIJPLJ-UHFFFAOYSA-N -1 3 296.417 3.236 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N[C@H](C)c2cc3cnccc3o2)n1 ZINC000879715010 635841284 /nfs/dbraw/zinc/84/12/84/635841284.db2.gz NKERJYRZKMKDAP-MNOVXSKESA-N -1 3 298.346 3.044 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N(C)Cc2ccc3cc[nH]c3c2)n1 ZINC000879724910 635843213 /nfs/dbraw/zinc/84/32/13/635843213.db2.gz QSXDCKRIRLGCQG-LBPRGKRZSA-N -1 3 296.374 3.165 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2ccnn2C2CCCC2)c1 ZINC000844266932 635850077 /nfs/dbraw/zinc/85/00/77/635850077.db2.gz YPWQWRZRSFFHQC-UHFFFAOYSA-N -1 3 285.347 3.265 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)CC(C)(C)CC(F)(F)F ZINC000880090166 635911314 /nfs/dbraw/zinc/91/13/14/635911314.db2.gz HNKFHSPTKJEKLS-SECBINFHSA-N -1 3 269.307 3.449 20 0 CGADHM O=C(C[C@@H]1C[C@H]1C1CC1)Nc1c([O-])cccc1Cl ZINC000880121995 635917739 /nfs/dbraw/zinc/91/77/39/635917739.db2.gz GPJOGLNOFLNBRB-UWVGGRQHSA-N -1 3 265.740 3.420 20 0 CGADHM O=C([N-]Cc1cccc2ccsc21)C(F)(F)C(F)F ZINC000844648940 635950195 /nfs/dbraw/zinc/95/01/95/635950195.db2.gz BKXNLBGIBKZQBJ-UHFFFAOYSA-N -1 3 291.269 3.418 20 0 CGADHM CCCC(=O)O[C@@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000005665902 636125050 /nfs/dbraw/zinc/12/50/50/636125050.db2.gz DYSODRHFGHTCKA-QMMMGPOBSA-N -1 3 294.376 3.006 20 0 CGADHM CN(Cc1nc(C(=O)[O-])cs1)C1CCCCCCC1 ZINC000846244750 636166457 /nfs/dbraw/zinc/16/64/57/636166457.db2.gz YKDFYNQYLQASIV-UHFFFAOYSA-N -1 3 282.409 3.386 20 0 CGADHM C/C(=C/CN1CC[C@H](C(F)(F)F)C2(CCC2)C1)C(=O)[O-] ZINC000846262661 636169339 /nfs/dbraw/zinc/16/93/39/636169339.db2.gz SRRYVVWEDVISSP-CGXZDELUSA-N -1 3 291.313 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274.332 3.325 20 0 CGADHM O=[S@](CC[C@@H]1CCCC1(F)F)c1ccc([O-])cc1 ZINC000887364583 637804733 /nfs/dbraw/zinc/80/47/33/637804733.db2.gz NVZKXLNSPQCWFX-XTZNXHDOSA-N -1 3 274.332 3.325 20 0 CGADHM CC1=CC[C@@](C)(C(=O)[N-]OCc2ccccc2)CC1 ZINC000854290586 638038656 /nfs/dbraw/zinc/03/86/56/638038656.db2.gz XGXIFSGSAZNDFH-MRXNPFEDSA-N -1 3 259.349 3.371 20 0 CGADHM C[C@@]1(CC(=O)[N-]Oc2ccccc2)CC1(Cl)Cl ZINC000854537802 638068214 /nfs/dbraw/zinc/06/82/14/638068214.db2.gz SDYGFBBOUIKWMJ-LLVKDONJSA-N -1 3 274.147 3.071 20 0 CGADHM C[C@@H]1C[C@@H]1c1ccc(CCC(=O)[N-]Oc2ccccc2)o1 ZINC000854538676 638069770 /nfs/dbraw/zinc/06/97/70/638069770.db2.gz MEHGSEFYUYJOBC-DOMZBBRYSA-N -1 3 285.343 3.446 20 0 CGADHM O=C(N[C@@H]1C[C@@H]2CCC[C@@H]12)c1cc([O-])c2ccccc2c1 ZINC000889607653 638074303 /nfs/dbraw/zinc/07/43/03/638074303.db2.gz ZDGOJJZDLPGASA-JGGQBBKZSA-N -1 3 281.355 3.464 20 0 CGADHM CCC1(C(=O)[N-]OCC2CC2)CCC(F)(F)CC1 ZINC000854638481 638080138 /nfs/dbraw/zinc/08/01/38/638080138.db2.gz DPLUQMLWCMGLGI-UHFFFAOYSA-N -1 3 261.312 3.050 20 0 CGADHM O=C(c1cc2sccc2c([O-])c1)N1CC[C@@H]2C[C@@H]2C1 ZINC000856064050 638291368 /nfs/dbraw/zinc/29/13/68/638291368.db2.gz HEQWENDXGXKSJN-MWLCHTKSSA-N -1 3 273.357 3.089 20 0 CGADHM C[C@H](CCC(=O)[N-]OCC1CCC1)c1ccccc1 ZINC000856348301 638348385 /nfs/dbraw/zinc/34/83/85/638348385.db2.gz CYKPMWBKGZUPCZ-CYBMUJFWSA-N -1 3 261.365 3.418 20 0 CGADHM COc1ccc2cccc(CC(=O)[N-]OCC3CCC3)c2c1 ZINC000856349010 638348633 /nfs/dbraw/zinc/34/86/33/638348633.db2.gz XXYSIMPAKWLMHZ-UHFFFAOYSA-N -1 3 299.370 3.239 20 0 CGADHM C[C@@H]1CC[C@H](NC(=O)c2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000857184620 638467783 /nfs/dbraw/zinc/46/77/83/638467783.db2.gz BANTXWYONJQAAL-KCJUWKMLSA-N -1 3 287.281 3.329 20 0 CGADHM O=C(COC(=O)c1cc(Cl)c(Cl)[n-]1)c1ccccc1 ZINC000011809039 638530409 /nfs/dbraw/zinc/53/04/09/638530409.db2.gz BTBFGIRWUUFCBX-UHFFFAOYSA-N -1 3 298.125 3.361 20 0 CGADHM C[C@@H](N[C@@H](C)c1cscn1)c1cc([O-])cc(F)c1 ZINC000926692503 638799157 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/nfs/dbraw/zinc/73/10/47/639731047.db2.gz ACWBQHBNRCBKFE-UHFFFAOYSA-N -1 3 251.713 3.340 20 0 CGADHM O=C([N-]CCCSCCc1cccs1)C(F)(F)F ZINC000187572987 640091653 /nfs/dbraw/zinc/09/16/53/640091653.db2.gz ZUFMAGGLZUMGLJ-UHFFFAOYSA-N -1 3 297.367 3.092 20 0 CGADHM CC(C)(C)C1CCC(CC(=O)[N-]OC[C@H]2CCOC2)CC1 ZINC000187977372 640110225 /nfs/dbraw/zinc/11/02/25/640110225.db2.gz PKOSYXQJSBSZQM-SLTAFYQDSA-N -1 3 297.439 3.313 20 0 CGADHM O=C([N-]c1cc(C(F)(F)F)no1)c1c(F)cccc1F ZINC000084405824 640606046 /nfs/dbraw/zinc/60/60/46/640606046.db2.gz SLCHEVWJEIOMGI-UHFFFAOYSA-N -1 3 292.163 3.224 20 0 CGADHM COc1cccnc1-c1nc2c([n-]1)c(F)c(F)c(F)c2F ZINC001250516961 805668930 /nfs/dbraw/zinc/66/89/30/805668930.db2.gz CSCKCAQZDNXICE-UHFFFAOYSA-N -1 3 297.211 3.190 20 0 CGADHM CCOC(=O)c1nc2ccc(OCc3ccccc3)cc2[n-]1 ZINC001250550556 805687787 /nfs/dbraw/zinc/68/77/87/805687787.db2.gz XZFMDPIIAFJUFL-UHFFFAOYSA-N -1 3 296.326 3.319 20 0 CGADHM CCOC(=O)c1nc2cc(OCc3ccccc3)ccc2[n-]1 ZINC001250550556 805687791 /nfs/dbraw/zinc/68/77/91/805687791.db2.gz XZFMDPIIAFJUFL-UHFFFAOYSA-N -1 3 296.326 3.319 20 0 CGADHM COc1cccc([C@H](O)CNc2cccc([O-])c2Cl)c1 ZINC001250720320 805764145 /nfs/dbraw/zinc/76/41/45/805764145.db2.gz JCBDOSXGYRKJML-CQSZACIVSA-N -1 3 293.750 3.200 20 0 CGADHM CC(=O)c1ccc2[nH]c(-c3cc([O-])ccc3F)nc2c1 ZINC001250835767 805786978 /nfs/dbraw/zinc/78/69/78/805786978.db2.gz RIGVPVKIXNAJAO-UHFFFAOYSA-N -1 3 270.263 3.277 20 0 CGADHM O=c1ccc2c(-c3nc4ccccc4[nH]3)ccc([O-])c2[nH]1 ZINC001251311070 805879537 /nfs/dbraw/zinc/87/95/37/805879537.db2.gz BNFJHLFFSBXGBB-UHFFFAOYSA-N -1 3 277.283 3.189 20 0 CGADHM COc1cc2[nH]c(-c3ccc(F)c([O-])c3)nc2cc1F ZINC001251477138 805899722 /nfs/dbraw/zinc/89/97/22/805899722.db2.gz GXXFEQKBAMPTQT-UHFFFAOYSA-N -1 3 276.242 3.222 20 0 CGADHM COc1cc2nc(-c3ccc(F)c([O-])c3)[nH]c2cc1F ZINC001251477138 805899729 /nfs/dbraw/zinc/89/97/29/805899729.db2.gz GXXFEQKBAMPTQT-UHFFFAOYSA-N -1 3 276.242 3.222 20 0 CGADHM Cc1c(C)c([N-]S(=O)(=O)c2ccc(F)cc2)ccc1F ZINC001251665303 805919079 /nfs/dbraw/zinc/91/90/79/805919079.db2.gz VENADQALFGAOCU-UHFFFAOYSA-N -1 3 297.326 3.382 20 0 CGADHM CCCC[C@@H](O)CNc1cccc([O-])c1Br ZINC001252106467 805999100 /nfs/dbraw/zinc/99/91/00/805999100.db2.gz ZWYLNIMMTLPOHA-SECBINFHSA-N -1 3 288.185 3.118 20 0 CGADHM [O-]c1cccnc1CNc1nc(Cl)ccc1Cl ZINC001158774860 806000838 /nfs/dbraw/zinc/00/08/38/806000838.db2.gz SQDIKYPEIDVWEB-UHFFFAOYSA-N -1 3 270.119 3.101 20 0 CGADHM COc1ccc([O-])c(-c2nnc(-c3ccc(F)cc3)o2)c1 ZINC001252163522 806026870 /nfs/dbraw/zinc/02/68/70/806026870.db2.gz QLBBVBIHZXRIDM-UHFFFAOYSA-N -1 3 286.262 3.257 20 0 CGADHM Cc1ccc(C(F)(F)F)c([N-]S(=O)(=O)C(C)C)c1 ZINC001252522278 806056071 /nfs/dbraw/zinc/05/60/71/806056071.db2.gz KGRQOWWSONQWQU-UHFFFAOYSA-N -1 3 281.299 3.164 20 0 CGADHM Nc1nc(Cl)ccc1Nc1cccc(Cl)c1[O-] ZINC001159379379 806091808 /nfs/dbraw/zinc/09/18/08/806091808.db2.gz LKACFHRQMFQZRA-UHFFFAOYSA-N -1 3 270.119 3.420 20 0 CGADHM CC(C)c1ccc(C(=O)N[C@@H]2CS[C@@H](C)C2)c([O-])c1 ZINC001161816673 806463438 /nfs/dbraw/zinc/46/34/38/806463438.db2.gz OVMMUTDHTZDEIL-JQWIXIFHSA-N -1 3 279.405 3.139 20 0 CGADHM O=c1[n-]c(NC2CC(F)C2)c(Cl)cc1Cl ZINC001162207866 806527472 /nfs/dbraw/zinc/52/74/72/806527472.db2.gz WCHKEBINSRJHNB-UHFFFAOYSA-N -1 3 251.088 3.006 20 0 CGADHM C[C@@H](N)c1nc2ccccc2n1-c1cc(F)ccc1[S-] ZINC001162777013 806663761 /nfs/dbraw/zinc/66/37/61/806663761.db2.gz IURBACBSZTUBTA-SECBINFHSA-N -1 3 287.363 3.473 20 0 CGADHM C[C@H](CCC[C@@H](C)C(=O)[O-])NCc1nc2ccccc2o1 ZINC000087678747 798946942 /nfs/dbraw/zinc/94/69/42/798946942.db2.gz XILLVGPLGIFECF-VXGBXAGGSA-N -1 3 290.363 3.197 20 0 CGADHM Cc1cccc(Cl)c1NS(=O)(=O)c1ccc([O-])cc1 ZINC000090540894 798952709 /nfs/dbraw/zinc/95/27/09/798952709.db2.gz UTPXGJFBANOSIX-UHFFFAOYSA-N -1 3 297.763 3.155 20 0 CGADHM C[C@@H](N[C@H]1CCC(C)(C)C1)c1ncc(C(=O)[O-])s1 ZINC000315325114 799235202 /nfs/dbraw/zinc/23/52/02/799235202.db2.gz MAJVFMHGJOOPIU-BDAKNGLRSA-N -1 3 268.382 3.071 20 0 CGADHM Cc1cc(CN2Cc3ccccc3[C@@H](C(=O)[O-])C2)cs1 ZINC000380500502 799363279 /nfs/dbraw/zinc/36/32/79/799363279.db2.gz NUIYLPWYSPEUNB-HNNXBMFYSA-N -1 3 287.384 3.241 20 0 CGADHM O=C(NC1C[C@H]2CC[C@@H](C1)S2)c1cc([O-])ccc1Cl ZINC000403645771 799569851 /nfs/dbraw/zinc/56/98/51/799569851.db2.gz FGJCBPADLKWUSE-UQPYNNQESA-N -1 3 297.807 3.202 20 0 CGADHM O=C(Nc1ccc(Cl)cc1)c1cc2c(cc1[O-])OCO2 ZINC000436756516 799612296 /nfs/dbraw/zinc/61/22/96/799612296.db2.gz RTJPKEGOXGYJOR-UHFFFAOYSA-N -1 3 291.690 3.027 20 0 CGADHM Cc1ccc(-c2nc(-c3ccccc3N(C)C)no2)c([O-])c1 ZINC000436901392 799612529 /nfs/dbraw/zinc/61/25/29/799612529.db2.gz HBCQTOQFPSKSAB-UHFFFAOYSA-N -1 3 295.342 3.484 20 0 CGADHM O=C1[N-]C(=O)/C(=C/c2sccc2Cl)c2ccccc21 ZINC000588601585 799720156 /nfs/dbraw/zinc/72/01/56/799720156.db2.gz ZPQPYNKIJOVCIH-JXMROGBWSA-N -1 3 289.743 3.212 20 0 CGADHM O=C([O-])c1cc(CN[C@@H]2CCc3ccccc32)cs1 ZINC000689164364 799761758 /nfs/dbraw/zinc/76/17/58/799761758.db2.gz GWOZGCICTKSPFL-CYBMUJFWSA-N -1 3 273.357 3.223 20 0 CGADHM CS[C@H]1CC[C@@H](N(C)C(=O)c2c(C)cccc2[O-])C1 ZINC000706637583 799964380 /nfs/dbraw/zinc/96/43/80/799964380.db2.gz PGJMFGGNERMUJZ-NEPJUHHUSA-N -1 3 279.405 3.057 20 0 CGADHM Cc1cccc(CO[N-]C(=O)C[C@H]2CCCC[C@H]2C)n1 ZINC000827805681 800479431 /nfs/dbraw/zinc/47/94/31/800479431.db2.gz CRSJNNPMEHPVJW-TZMCWYRMSA-N -1 3 276.380 3.154 20 0 CGADHM C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC001256547557 806914959 /nfs/dbraw/zinc/91/49/59/806914959.db2.gz BZNIFWYFDRMJRL-DTORHVGOSA-N -1 3 293.841 3.259 20 0 CGADHM CCc1ccc([O-])c(C(=O)N(Cc2ccc(C)o2)OC)c1 ZINC001123950735 802984681 /nfs/dbraw/zinc/98/46/81/802984681.db2.gz QZRSRRGXBYKWEJ-UHFFFAOYSA-N -1 3 289.331 3.060 20 0 CGADHM COc1cnc(C(=O)[N-]c2ccccc2SC)c(F)c1 ZINC001124323205 803012720 /nfs/dbraw/zinc/01/27/20/803012720.db2.gz ANZCIKNQXGUSLO-UHFFFAOYSA-N -1 3 292.335 3.204 20 0 CGADHM CC(C)NC(=O)c1cncc(-c2c([O-])cccc2Cl)c1 ZINC001244044550 803158015 /nfs/dbraw/zinc/15/80/15/803158015.db2.gz MUFIPILZPNBDFZ-UHFFFAOYSA-N 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20 0 CGADHM Cc1cc2cc(-c3ccc(-c4nnn[n-]4)c(F)c3)ccc2[nH]1 ZINC001244243153 803260264 /nfs/dbraw/zinc/26/02/64/803260264.db2.gz NIQPEVAGNFXBGR-UHFFFAOYSA-N -1 3 293.305 3.463 20 0 CGADHM Cc1cc2cc(-c3ccc(-c4nn[n-]n4)c(F)c3)ccc2[nH]1 ZINC001244243153 803260269 /nfs/dbraw/zinc/26/02/69/803260269.db2.gz NIQPEVAGNFXBGR-UHFFFAOYSA-N -1 3 293.305 3.463 20 0 CGADHM Fc1ccc(Cl)c(-c2cccc(-c3nnn[n-]3)c2)c1F ZINC001244311498 803292913 /nfs/dbraw/zinc/29/29/13/803292913.db2.gz YHZYZXDVGFBLSL-UHFFFAOYSA-N -1 3 292.676 3.465 20 0 CGADHM Fc1ccc(Cl)c(-c2cccc(-c3nn[n-]n3)c2)c1F ZINC001244311498 803292919 /nfs/dbraw/zinc/29/29/19/803292919.db2.gz YHZYZXDVGFBLSL-UHFFFAOYSA-N -1 3 292.676 3.465 20 0 CGADHM [O-]c1ccc(OC(F)(F)F)cc1-c1cc2[nH]cnc2cn1 ZINC001244455715 803378268 /nfs/dbraw/zinc/37/82/68/803378268.db2.gz KMWCETRHYUBCQJ-UHFFFAOYSA-N -1 3 295.220 3.229 20 0 CGADHM [O-]c1ccc(OC(F)(F)F)cc1-c1cc2nc[nH]c2cn1 ZINC001244455715 803378272 /nfs/dbraw/zinc/37/82/72/803378272.db2.gz KMWCETRHYUBCQJ-UHFFFAOYSA-N -1 3 295.220 3.229 20 0 CGADHM Oc1ccc(OC(F)(F)F)cc1-c1ccc(=S)[n-]n1 ZINC001244459133 803380326 /nfs/dbraw/zinc/38/03/26/803380326.db2.gz YYZZIBBIWSHPFK-UHFFFAOYSA-N -1 3 288.250 3.037 20 0 CGADHM COC(=O)c1ncc(-c2ccc(Cl)cc2[O-])cc1F ZINC001244469652 803385276 /nfs/dbraw/zinc/38/52/76/803385276.db2.gz OEMSGRGOZYBEQZ-UHFFFAOYSA-N -1 3 281.670 3.033 20 0 CGADHM CN(C)C(=O)Cc1ccc(-c2ccc(Cl)cc2[O-])cc1 ZINC001244469745 803385327 /nfs/dbraw/zinc/38/53/27/803385327.db2.gz QZJHMXXFKUSJFM-UHFFFAOYSA-N -1 3 289.762 3.343 20 0 CGADHM O=C1C[C@@H](c2cccc(-c3ccc(Cl)cc3[O-])c2)CN1 ZINC001244469286 803385431 /nfs/dbraw/zinc/38/54/31/803385431.db2.gz FZMVTZDIQVGFOG-GFCCVEGCSA-N -1 3 287.746 3.316 20 0 CGADHM Cc1c(-c2ccc(Cl)cc2[O-])ccc2ncnn21 ZINC001244469988 803386362 /nfs/dbraw/zinc/38/63/62/803386362.db2.gz UWDNKSZYRZNYJL-UHFFFAOYSA-N -1 3 259.696 3.064 20 0 CGADHM CN1C(=O)NCc2c(-c3ccc(Cl)cc3[O-])cccc21 ZINC001244470869 803387501 /nfs/dbraw/zinc/38/75/01/803387501.db2.gz AOYGXCAHLUTTID-UHFFFAOYSA-N -1 3 288.734 3.372 20 0 CGADHM NC(=O)c1cc(-c2ccc(Cl)cc2[O-])cc2cc[nH]c21 ZINC001244471531 803387605 /nfs/dbraw/zinc/38/76/05/803387605.db2.gz HMIJFALLUAHVLJ-UHFFFAOYSA-N -1 3 286.718 3.293 20 0 CGADHM Cc1ncn(-c2ccc(-c3cc(C)c(F)c([O-])c3)nn2)c1C ZINC001244508503 803412042 /nfs/dbraw/zinc/41/20/42/803412042.db2.gz SSSAIUUEQBKCBL-UHFFFAOYSA-N -1 3 298.321 3.099 20 0 CGADHM Cc1cc(-c2cccc3c2NC(=O)C3)cc([O-])c1F ZINC001244516653 803413612 /nfs/dbraw/zinc/41/36/12/803413612.db2.gz AKJHYPDIERHGNR-UHFFFAOYSA-N -1 3 257.264 3.001 20 0 CGADHM Cc1cc(-c2ccc3c(c2)NCCO3)cc([O-])c1F ZINC001244517911 803413763 /nfs/dbraw/zinc/41/37/63/803413763.db2.gz OPSSDSRROHOPIZ-UHFFFAOYSA-N -1 3 259.280 3.311 20 0 CGADHM Cc1cc(-c2cnc3cccnc3c2)cc([O-])c1F ZINC001244516557 803414119 /nfs/dbraw/zinc/41/41/19/803414119.db2.gz XVHFVORNFJZPNK-UHFFFAOYSA-N -1 3 254.264 3.450 20 0 CGADHM COc1ccc(-c2cc(C)c(F)c([O-])c2)nc1F ZINC001244515795 803414173 /nfs/dbraw/zinc/41/41/73/803414173.db2.gz NVGBWGKOWKPQFW-UHFFFAOYSA-N -1 3 251.232 3.049 20 0 CGADHM CC(=O)Nc1ccc(-c2cc(C)c(F)c([O-])c2)c(C)n1 ZINC001244525005 803417846 /nfs/dbraw/zinc/41/78/46/803417846.db2.gz LBGWQMALTWXXAS-UHFFFAOYSA-N -1 3 274.295 3.169 20 0 CGADHM Cc1cc(-c2cnc(OC3CCC3)cn2)cc([O-])c1F ZINC001244525321 803418482 /nfs/dbraw/zinc/41/84/82/803418482.db2.gz PQZFMZRRAWUMQC-UHFFFAOYSA-N -1 3 274.295 3.228 20 0 CGADHM [O-]c1ccc(Cl)c(-c2ccc3n[nH]nc3c2)c1F ZINC001244542550 803429933 /nfs/dbraw/zinc/42/99/33/803429933.db2.gz ZRQAWSYMFFBUOI-UHFFFAOYSA-N -1 3 263.659 3.123 20 0 CGADHM COc1cc(-c2ccc3c(c2)[N-]C(=S)C3)ccc1CO ZINC001244674731 803489676 /nfs/dbraw/zinc/48/96/76/803489676.db2.gz CZBUKZGDSPJTSG-UHFFFAOYSA-N -1 3 285.368 3.150 20 0 CGADHM CCCOc1cccc(F)c1Nc1cc(=O)[n-]c(C)n1 ZINC001211786242 814941903 /nfs/dbraw/zinc/94/19/03/814941903.db2.gz VYYXPHRZEBAUSQ-UHFFFAOYSA-N -1 3 277.299 3.162 20 0 CGADHM CCCOc1cccc(F)c1Nc1cnc(C)[n-]c1=O ZINC001211787829 814942238 /nfs/dbraw/zinc/94/22/38/814942238.db2.gz KKBIZEYKKNIMGY-UHFFFAOYSA-N -1 3 277.299 3.162 20 0 CGADHM Nc1ccc(-c2ccc(=S)[n-]n2)c(C(F)(F)F)c1 ZINC001244748862 803519123 /nfs/dbraw/zinc/51/91/23/803519123.db2.gz XBXIIUBSKYDRGL-UHFFFAOYSA-N -1 3 271.267 3.033 20 0 CGADHM CCOc1cc(F)c(F)cc1Nc1ncc(F)cc1[O-] ZINC001211799047 814943212 /nfs/dbraw/zinc/94/32/12/814943212.db2.gz UPKGHEUYPGBSQA-UHFFFAOYSA-N -1 3 284.237 3.347 20 0 CGADHM CCOc1ccc(C)c(-c2ccc(Cc3nnn[n-]3)cc2)c1 ZINC001244872388 803558583 /nfs/dbraw/zinc/55/85/83/803558583.db2.gz YPCJROVSBOQEBB-UHFFFAOYSA-N -1 3 294.358 3.165 20 0 CGADHM CCOc1ccc(C)c(-c2ccc(Cc3nn[n-]n3)cc2)c1 ZINC001244872388 803558585 /nfs/dbraw/zinc/55/85/85/803558585.db2.gz YPCJROVSBOQEBB-UHFFFAOYSA-N -1 3 294.358 3.165 20 0 CGADHM OCc1cc(Cl)c(-c2ccc(=S)[n-]n2)c(Cl)c1 ZINC001245007740 803610070 /nfs/dbraw/zinc/61/00/70/803610070.db2.gz GURCWRVHTNJHOA-UHFFFAOYSA-N -1 3 287.171 3.231 20 0 CGADHM O=c1cnc(-c2cc(Cl)ccc2[O-])cn1-c1ccccc1 ZINC001245053004 803623673 /nfs/dbraw/zinc/62/36/73/803623673.db2.gz PTRNXXALMZTDIV-UHFFFAOYSA-N -1 3 298.729 3.259 20 0 CGADHM CCO[N-]C(=O)Cc1ccc(C2CCCCC2)cc1 ZINC001136002857 803624103 /nfs/dbraw/zinc/62/41/03/803624103.db2.gz HTWMVHKESZWORP-UHFFFAOYSA-N -1 3 261.365 3.345 20 0 CGADHM CCOC(=O)c1ncccc1-c1cc(Cl)ccc1[O-] ZINC001245054701 803624484 /nfs/dbraw/zinc/62/44/84/803624484.db2.gz LGQYPJZJYMFSQA-UHFFFAOYSA-N -1 3 277.707 3.284 20 0 CGADHM [O-]c1ccc(-c2ccc(N3CCCCC3)nn2)c(Cl)c1 ZINC001245081028 803635546 /nfs/dbraw/zinc/63/55/46/803635546.db2.gz VTJFUZVYCXVRMO-UHFFFAOYSA-N -1 3 289.766 3.493 20 0 CGADHM [O-]c1ccc(-c2ncnc3scnc32)c(Cl)c1 ZINC001245082131 803636713 /nfs/dbraw/zinc/63/67/13/803636713.db2.gz UNJJIDPOYJKTML-UHFFFAOYSA-N -1 3 263.709 3.112 20 0 CGADHM COC(=O)c1cnc(-c2ccc([O-])cc2Cl)cc1C ZINC001245082397 803636843 /nfs/dbraw/zinc/63/68/43/803636843.db2.gz VUKRNUPFUMFBMB-UHFFFAOYSA-N -1 3 277.707 3.203 20 0 CGADHM O=c1ccc(-c2ccc([O-])cc2Cl)nn1-c1ccccc1 ZINC001245083042 803637353 /nfs/dbraw/zinc/63/73/53/803637353.db2.gz KRQFTLJCMTXPTB-UHFFFAOYSA-N -1 3 298.729 3.259 20 0 CGADHM Fc1ccc(Cl)c(-c2ccccc2-c2nnn[n-]2)c1 ZINC001245131790 803647317 /nfs/dbraw/zinc/64/73/17/803647317.db2.gz XUOMTXNXNUFTFU-UHFFFAOYSA-N -1 3 274.686 3.326 20 0 CGADHM Fc1ccc(Cl)c(-c2ccccc2-c2nn[n-]n2)c1 ZINC001245131790 803647319 /nfs/dbraw/zinc/64/73/19/803647319.db2.gz XUOMTXNXNUFTFU-UHFFFAOYSA-N -1 3 274.686 3.326 20 0 CGADHM C[C@@H]1C[C@H](C)CN1C(=O)c1cc2sccc2c([O-])c1 ZINC001136942310 803661494 /nfs/dbraw/zinc/66/14/94/803661494.db2.gz CVSKFTDLJUUOFW-VHSXEESVSA-N -1 3 275.373 3.477 20 0 CGADHM CCCOc1ccc(-c2ccc(C)c(-c3nnn[n-]3)c2)cn1 ZINC001245233774 803672234 /nfs/dbraw/zinc/67/22/34/803672234.db2.gz FAUTWXZYHNEFFX-UHFFFAOYSA-N -1 3 295.346 3.026 20 0 CGADHM CCCOc1ccc(-c2ccc(C)c(-c3nn[n-]n3)c2)cn1 ZINC001245233774 803672235 /nfs/dbraw/zinc/67/22/35/803672235.db2.gz FAUTWXZYHNEFFX-UHFFFAOYSA-N -1 3 295.346 3.026 20 0 CGADHM CC(C)CNC(=S)Nc1c([O-])cccc1C(F)(F)F ZINC001245253199 803679163 /nfs/dbraw/zinc/67/91/63/803679163.db2.gz COOGVJMJBOGOFF-UHFFFAOYSA-N -1 3 292.326 3.353 20 0 CGADHM Cc1cccc2[nH]c(-c3ccc(-c4nnn[n-]4)c(F)c3)cc21 ZINC001245344209 803704986 /nfs/dbraw/zinc/70/49/86/803704986.db2.gz YFTGWGPPAZALFW-UHFFFAOYSA-N -1 3 293.305 3.463 20 0 CGADHM Cc1cccc2[nH]c(-c3ccc(-c4nn[n-]n4)c(F)c3)cc21 ZINC001245344209 803704990 /nfs/dbraw/zinc/70/49/90/803704990.db2.gz YFTGWGPPAZALFW-UHFFFAOYSA-N -1 3 293.305 3.463 20 0 CGADHM CCc1ccc(C(=O)N[C@H]2CCC(C)(C)C2)c([O-])c1 ZINC001137597308 803743613 /nfs/dbraw/zinc/74/36/13/803743613.db2.gz UXITXRPKJAESAB-LBPRGKRZSA-N -1 3 261.365 3.263 20 0 CGADHM CC(C)n1cnc(Nc2ccc([O-])c(F)c2F)c1 ZINC001212005854 814965964 /nfs/dbraw/zinc/96/59/64/814965964.db2.gz XXPTXDMULRTKHA-UHFFFAOYSA-N -1 3 253.252 3.191 20 0 CGADHM Cc1cc(N)ccc1Nc1ccc([O-])c(F)c1F ZINC001212010952 814966895 /nfs/dbraw/zinc/96/68/95/814966895.db2.gz JIAJYJOFCFYDDS-UHFFFAOYSA-N -1 3 250.248 3.305 20 0 CGADHM Cc1c(O)cccc1Nc1ccc([O-])c(F)c1F ZINC001212011180 814966907 /nfs/dbraw/zinc/96/69/07/814966907.db2.gz WQSSIDNFRZWRBO-UHFFFAOYSA-N -1 3 251.232 3.428 20 0 CGADHM Cn1cnc2cccc(Nc3ccc([O-])c(F)c3F)c21 ZINC001212013731 814967132 /nfs/dbraw/zinc/96/71/32/814967132.db2.gz HCWBGZYBGGNLRY-UHFFFAOYSA-N -1 3 275.258 3.301 20 0 CGADHM [O-]c1cc(-c2cccn3cncc23)c(F)c(F)c1F ZINC001245639862 803877534 /nfs/dbraw/zinc/87/75/34/803877534.db2.gz VTTUSVVDSQAINK-UHFFFAOYSA-N -1 3 264.206 3.124 20 0 CGADHM O=C(c1ccccc1-c1c([O-])cccc1F)N1CCCC1 ZINC001245653097 803885117 /nfs/dbraw/zinc/88/51/17/803885117.db2.gz KBIYUUQVSLNBJC-UHFFFAOYSA-N -1 3 285.318 3.434 20 0 CGADHM COC(=O)c1c[nH]c2ccc(-c3c([O-])cccc3F)cc21 ZINC001245654015 803886885 /nfs/dbraw/zinc/88/68/85/803886885.db2.gz CSQBVVMNKHFMIR-UHFFFAOYSA-N -1 3 285.274 3.466 20 0 CGADHM COC(=O)c1ccc(-c2c([O-])cccc2F)c(F)c1F ZINC001245657694 803892044 /nfs/dbraw/zinc/89/20/44/803892044.db2.gz RCBQFYRRASXVTN-UHFFFAOYSA-N -1 3 282.217 3.263 20 0 CGADHM CC(=O)c1ccc(C(=O)Nc2cccc3cc[nH]c32)cc1[O-] ZINC001138613695 803981219 /nfs/dbraw/zinc/98/12/19/803981219.db2.gz WVZGXFBJXBQMET-UHFFFAOYSA-N -1 3 294.310 3.328 20 0 CGADHM CN(Cc1nc2ccccc2s1)Cc1ccncc1[O-] ZINC001140273098 804406516 /nfs/dbraw/zinc/40/65/16/804406516.db2.gz GXWBCXKBLFKIFS-UHFFFAOYSA-N -1 3 285.372 3.029 20 0 CGADHM [O-]c1ccc(CN2CC[C@H](c3ccncc3)C2)c(F)c1F ZINC001140894172 804544938 /nfs/dbraw/zinc/54/49/38/804544938.db2.gz UAEFUKBQCGRQRI-LBPRGKRZSA-N -1 3 290.313 3.055 20 0 CGADHM O=C(Nc1c([O-])cccc1Cl)c1ccc(Cl)cn1 ZINC001141466813 804643779 /nfs/dbraw/zinc/64/37/79/804643779.db2.gz DUNXPEKXGPJQIT-UHFFFAOYSA-N -1 3 283.114 3.346 20 0 CGADHM CSc1ccc([O-])c(C(=O)NCc2ccsc2)c1 ZINC001141669508 804662766 /nfs/dbraw/zinc/66/27/66/804662766.db2.gz PRPLCKFGCRDEMO-UHFFFAOYSA-N -1 3 279.386 3.106 20 0 CGADHM CO[C@H](C)C1CN(Cc2c(Cl)cc([O-])cc2Cl)C1 ZINC001142118616 804696704 /nfs/dbraw/zinc/69/67/04/804696704.db2.gz SZCROKZFSMETIR-MRVPVSSYSA-N -1 3 290.190 3.166 20 0 CGADHM CCO[C@@H]1CCN(Cc2c(Cl)cc([O-])cc2Cl)C1 ZINC001142118681 804696850 /nfs/dbraw/zinc/69/68/50/804696850.db2.gz WDMMEDNFGBYXGH-SNVBAGLBSA-N -1 3 290.190 3.310 20 0 CGADHM [O-]c1c(F)cc(F)cc1Nc1cc(C(F)(F)F)no1 ZINC001212478096 815033647 /nfs/dbraw/zinc/03/36/47/815033647.db2.gz UNODINXAZXQPCQ-UHFFFAOYSA-N -1 3 280.152 3.421 20 0 CGADHM CC(=O)c1cccc([O-])c1NC(=O)[C@]1(C)CC=CCC1 ZINC001142548789 804737077 /nfs/dbraw/zinc/73/70/77/804737077.db2.gz TZNJVGRZVPGPHS-MRXNPFEDSA-N -1 3 273.332 3.280 20 0 CGADHM CCc1cccc(C(=O)N[C@H](CC)c2ccccn2)c1[O-] ZINC001142585572 804742388 /nfs/dbraw/zinc/74/23/88/804742388.db2.gz MGEUVSFCDFSTPK-CQSZACIVSA-N -1 3 284.359 3.231 20 0 CGADHM Cc1nc(Cl)c(Nc2cc(F)cc(F)c2[O-])nc1C ZINC001212481843 815036499 /nfs/dbraw/zinc/03/64/99/815036499.db2.gz LVKFYLOQOFOKCL-UHFFFAOYSA-N -1 3 285.681 3.474 20 0 CGADHM Nc1cccc2c1CCCN2c1cc(F)cc(F)c1[O-] ZINC001212489500 815039018 /nfs/dbraw/zinc/03/90/18/815039018.db2.gz QVVCLFCTMLBAAN-UHFFFAOYSA-N -1 3 276.286 3.337 20 0 CGADHM Cc1cc(NC(=O)c2[n-]cnc2C(F)(F)F)ccc1F ZINC001143771055 804894163 /nfs/dbraw/zinc/89/41/63/804894163.db2.gz ULTUYVMUWDKNGQ-UHFFFAOYSA-N -1 3 287.216 3.128 20 0 CGADHM Cc1cc(NC(=O)c2nc[n-]c2C(F)(F)F)ccc1F ZINC001143771055 804894167 /nfs/dbraw/zinc/89/41/67/804894167.db2.gz ULTUYVMUWDKNGQ-UHFFFAOYSA-N -1 3 287.216 3.128 20 0 CGADHM C[C@@H]1C[C@H](C)CN(Cc2c(F)cc([O-])cc2F)C1 ZINC001144559106 805004499 /nfs/dbraw/zinc/00/44/99/805004499.db2.gz INIKXZKFLMNUAP-AOOOYVTPSA-N -1 3 255.308 3.148 20 0 CGADHM C[C@H]1CN(Cc2c(F)cc([O-])cc2F)C2(CC2)C1 ZINC001144560913 805005778 /nfs/dbraw/zinc/00/57/78/805005778.db2.gz BWGUGHZEJIPEOP-SECBINFHSA-N -1 3 253.292 3.045 20 0 CGADHM C[C@@H]1C[C@H](NC(=O)Cc2ccc([O-])c(F)c2)c2ccccc21 ZINC001144632960 805015936 /nfs/dbraw/zinc/01/59/36/805015936.db2.gz YHFPYDVGWLIBCK-BZNIZROVSA-N -1 3 299.345 3.439 20 0 CGADHM Cn1ccc2cc(NC(=O)Cc3ccc([O-])c(F)c3)ccc21 ZINC001144628878 805017041 /nfs/dbraw/zinc/01/70/41/805017041.db2.gz LDCDLHFNSLNQBZ-UHFFFAOYSA-N -1 3 298.317 3.204 20 0 CGADHM [O-]c1cc(F)c(CN2CCC3(CCC3)C2)cc1F ZINC001144657619 805023841 /nfs/dbraw/zinc/02/38/41/805023841.db2.gz AMVHMJZRBODXTM-UHFFFAOYSA-N -1 3 253.292 3.046 20 0 CGADHM COc1cccc(C(=O)Nc2ccc3cc(C)[nH]c3c2)c1[O-] ZINC001148203033 805168482 /nfs/dbraw/zinc/16/84/82/805168482.db2.gz XLVPXDBXDFKFCE-UHFFFAOYSA-N -1 3 296.326 3.443 20 0 CGADHM COc1cc2ccccc2cc1Nc1cnc(C)[n-]c1=O ZINC001249551091 805174359 /nfs/dbraw/zinc/17/43/59/805174359.db2.gz UOULLIHFYXFHQV-UHFFFAOYSA-N -1 3 281.315 3.396 20 0 CGADHM Cc1ccc(C(=O)NCc2ccc(C)c(F)c2F)c([O-])c1 ZINC001148506019 805191434 /nfs/dbraw/zinc/19/14/34/805191434.db2.gz PNENOQHLMGIBEG-UHFFFAOYSA-N -1 3 291.297 3.217 20 0 CGADHM Cc1c(N)c(F)ccc1Nc1ncc(Cl)cc1[O-] ZINC001249632537 805193451 /nfs/dbraw/zinc/19/34/51/805193451.db2.gz XLINYJCXQTVKLL-UHFFFAOYSA-N -1 3 267.691 3.214 20 0 CGADHM CC[C@H](C)C[C@H](C)NC(=O)c1ccc([O-])c(C(C)=O)c1 ZINC001148669239 805203663 /nfs/dbraw/zinc/20/36/63/805203663.db2.gz RVBZOKDRPVVTJK-QWRGUYRKSA-N -1 3 277.364 3.149 20 0 CGADHM CCCCN(CC)Cc1ccc(F)c(C(=O)[O-])c1F ZINC001249761927 805237938 /nfs/dbraw/zinc/23/79/38/805237938.db2.gz XEIMXANEVVVQJC-UHFFFAOYSA-N -1 3 271.307 3.285 20 0 CGADHM O=c1cc(Nc2cc3cc(F)ccc3[nH]2)nc(C2CC2)[n-]1 ZINC001249850075 805261077 /nfs/dbraw/zinc/26/10/77/805261077.db2.gz PVYOLRJTKQIFQM-UHFFFAOYSA-N -1 3 284.294 3.424 20 0 CGADHM O=Cc1cc(C(=O)Nc2cc(Cl)ccc2[O-])ccc1F ZINC001151752890 805311205 /nfs/dbraw/zinc/31/12/05/805311205.db2.gz HFZAVRNVXGLAEG-UHFFFAOYSA-N -1 3 293.681 3.250 20 0 CGADHM COc1ccc2c(c1Nc1cccc([O-])c1F)C(=O)CC2 ZINC001212552507 815065553 /nfs/dbraw/zinc/06/55/53/815065553.db2.gz VLNOUWAMEGZZPA-UHFFFAOYSA-N -1 3 287.290 3.412 20 0 CGADHM Cc1cccc([O-])c1C(=O)N[C@@H](CF)c1ccc(F)cc1 ZINC001152364220 805345696 /nfs/dbraw/zinc/34/56/96/805345696.db2.gz MBRVHUQVWJLNII-ZDUSSCGKSA-N -1 3 291.297 3.280 20 0 CGADHM Cc1cc(Nc2cc(Cl)c([O-])cc2F)cc(=O)o1 ZINC001250023566 805375825 /nfs/dbraw/zinc/37/58/25/805375825.db2.gz PMEQAGWBNRNEEU-UHFFFAOYSA-N -1 3 269.659 3.190 20 0 CGADHM O=C(CCc1ccc([O-])c(F)c1)c1ccc(F)cc1 ZINC001250025108 805377018 /nfs/dbraw/zinc/37/70/18/805377018.db2.gz DBXHAGJSFSUJQI-UHFFFAOYSA-N -1 3 262.255 3.486 20 0 CGADHM O=C(Nc1cc([O-])cc(Cl)c1)c1nc2ccccc2o1 ZINC001153579922 805404290 /nfs/dbraw/zinc/40/42/90/805404290.db2.gz WETLEOFDTSOGPR-UHFFFAOYSA-N -1 3 288.690 3.439 20 0 CGADHM C[C@@H](CC(=O)[N-]Oc1ccccc1F)c1ccccc1 ZINC001154215470 805440294 /nfs/dbraw/zinc/44/02/94/805440294.db2.gz IZTLCDSHYMNVCF-LBPRGKRZSA-N -1 3 273.307 3.430 20 0 CGADHM CC(C)(C)c1nc(Nc2ccc(Cl)c([O-])c2)no1 ZINC001212588163 815077154 /nfs/dbraw/zinc/07/71/54/815077154.db2.gz HWCAEYLJGZSRDF-UHFFFAOYSA-N -1 3 267.716 3.470 20 0 CGADHM [O-]c1cc(Nc2noc3cccnc32)ccc1Cl ZINC001212588462 815077650 /nfs/dbraw/zinc/07/76/50/815077650.db2.gz QKIYHJRGMCNRCW-UHFFFAOYSA-N -1 3 261.668 3.325 20 0 CGADHM Cc1ccc(C(=O)Nc2cnc3[nH]ccc3c2)c([O-])c1C ZINC001154590665 805464670 /nfs/dbraw/zinc/46/46/70/805464670.db2.gz OLEKPPJFEVJBBX-UHFFFAOYSA-N -1 3 281.315 3.089 20 0 CGADHM [O-]c1cc(Nc2cnn3c2OCC2(CC2)C3)ccc1Cl ZINC001212590418 815078627 /nfs/dbraw/zinc/07/86/27/815078627.db2.gz LNYRYENGQXKPEI-UHFFFAOYSA-N -1 3 291.738 3.158 20 0 CGADHM Cn1nc2c(c1Nc1ccc(Cl)c([O-])c1)CCCC2 ZINC001212590408 815078870 /nfs/dbraw/zinc/07/88/70/815078870.db2.gz KYAXJERMKGXEOG-UHFFFAOYSA-N -1 3 277.755 3.402 20 0 CGADHM COc1nccc(Nc2ccc(Cl)c([O-])c2)c1F ZINC001212591263 815080066 /nfs/dbraw/zinc/08/00/66/815080066.db2.gz CWHPZMJNYAJXEF-UHFFFAOYSA-N -1 3 268.675 3.332 20 0 CGADHM CCOc1ccc(Nc2cc(=O)[n-]c(C)n2)cc1CC ZINC001250283519 805539982 /nfs/dbraw/zinc/53/99/82/805539982.db2.gz MHZJJOVOSDUMNI-UHFFFAOYSA-N -1 3 273.336 3.195 20 0 CGADHM [O-]C(=Cc1c(F)ccc(O)c1F)c1cccs1 ZINC001250306190 805557234 /nfs/dbraw/zinc/55/72/34/805557234.db2.gz ZSBFAMVUDVOREJ-UHFFFAOYSA-N -1 3 254.257 3.157 20 0 CGADHM CCOC(=O)c1ccc(Cc2ccc(F)c([O-])c2)cc1 ZINC001250326892 805570138 /nfs/dbraw/zinc/57/01/38/805570138.db2.gz SVNYOAULOKBUJX-UHFFFAOYSA-N -1 3 274.291 3.299 20 0 CGADHM COCCOc1ccccc1Nc1c(F)cc([O-])cc1F ZINC001212641309 815092264 /nfs/dbraw/zinc/09/22/64/815092264.db2.gz PUTSNXWUYSDSCG-UHFFFAOYSA-N -1 3 295.285 3.439 20 0 CGADHM c1ccc(C2CC2)c(CNc2ccccc2-c2nnn[n-]2)c1 ZINC001167038992 807134120 /nfs/dbraw/zinc/13/41/20/807134120.db2.gz FBYDYOLIZUTIPN-UHFFFAOYSA-N -1 3 291.358 3.356 20 0 CGADHM c1ccc(C2CC2)c(CNc2ccccc2-c2nn[n-]n2)c1 ZINC001167038992 807134121 /nfs/dbraw/zinc/13/41/21/807134121.db2.gz FBYDYOLIZUTIPN-UHFFFAOYSA-N -1 3 291.358 3.356 20 0 CGADHM CC(C)c1ccc(C(=O)NC[C@H]2CCC[C@@H](C)O2)c([O-])c1 ZINC001167155333 807161908 /nfs/dbraw/zinc/16/19/08/807161908.db2.gz WJROZOLABMEYFE-TZMCWYRMSA-N -1 3 291.391 3.203 20 0 CGADHM Cc1cccc(-c2noc(-c3cncc([O-])c3)n2)c1Cl ZINC001212708690 815110265 /nfs/dbraw/zinc/11/02/65/815110265.db2.gz PDFVEWGGXRYLHF-UHFFFAOYSA-N -1 3 287.706 3.466 20 0 CGADHM [O-]c1cncc(-c2nc(-c3cccc4cnccc43)no2)c1 ZINC001212708651 815110306 /nfs/dbraw/zinc/11/03/06/815110306.db2.gz NJPGMZHKBZLMGH-UHFFFAOYSA-N -1 3 290.282 3.052 20 0 CGADHM Cc1c(F)ccc(-c2noc(-c3cncc([O-])c3)n2)c1F ZINC001212708911 815110341 /nfs/dbraw/zinc/11/03/41/815110341.db2.gz WTVOJLJEVJHHAV-UHFFFAOYSA-N -1 3 289.241 3.091 20 0 CGADHM COc1cccc(-c2nnc(Cc3ccccc3C)o2)c1[O-] ZINC001258375783 807431659 /nfs/dbraw/zinc/43/16/59/807431659.db2.gz JLSJDTXTHAGWBT-UHFFFAOYSA-N -1 3 296.326 3.350 20 0 CGADHM CC[C@H](C)C[C@H](C)Nc1ccc(C)c(-c2nnn[n-]2)c1 ZINC001168695781 807485860 /nfs/dbraw/zinc/48/58/60/807485860.db2.gz VWAPRSQLCFDKJE-JQWIXIFHSA-N -1 3 273.384 3.412 20 0 CGADHM CC[C@H](C)C[C@H](C)Nc1ccc(C)c(-c2nn[n-]n2)c1 ZINC001168695781 807485866 /nfs/dbraw/zinc/48/58/66/807485866.db2.gz VWAPRSQLCFDKJE-JQWIXIFHSA-N -1 3 273.384 3.412 20 0 CGADHM S=c1ccc(NCc2c(Cl)cncc2Cl)n[n-]1 ZINC001169184282 807598831 /nfs/dbraw/zinc/59/88/31/807598831.db2.gz XLRYIABYDLFVBA-UHFFFAOYSA-N -1 3 287.175 3.079 20 0 CGADHM Cc1ccc(-c2nnc(-c3ccc(F)c(=O)[n-]3)o2)cc1F ZINC001258776306 807606975 /nfs/dbraw/zinc/60/69/75/807606975.db2.gz CQPCNMIRLVTWNC-UHFFFAOYSA-N -1 3 289.241 3.091 20 0 CGADHM CC(C)(C)c1cc(Cl)nnc1NCc1ncccc1[O-] ZINC001169727234 807698947 /nfs/dbraw/zinc/69/89/47/807698947.db2.gz RLYXZRXHHVEIAR-UHFFFAOYSA-N -1 3 292.770 3.140 20 0 CGADHM [O-]c1cccnc1CNc1c(F)c(F)c(F)c(F)c1F ZINC001169730774 807699916 /nfs/dbraw/zinc/69/99/16/807699916.db2.gz HYVUSONOWHRESA-UHFFFAOYSA-N -1 3 290.191 3.095 20 0 CGADHM Cc1ccc2c(cccc2Nc2ccc(C(N)=O)c([O-])c2)n1 ZINC001212798725 815141988 /nfs/dbraw/zinc/14/19/88/815141988.db2.gz PINWYTVUSCTWCZ-UHFFFAOYSA-N -1 3 293.326 3.091 20 0 CGADHM CCn1c2ccccc2nc1[C@@H](C)Nc1nc(C)cc(=O)[n-]1 ZINC001262691286 807896801 /nfs/dbraw/zinc/89/68/01/807896801.db2.gz ZXYFHMXSXTYLLJ-LLVKDONJSA-N -1 3 297.362 3.033 20 0 CGADHM O=C(OCc1cc(Cl)ccn1)c1cccc(Cl)c1[O-] ZINC001264890967 808100018 /nfs/dbraw/zinc/10/00/18/808100018.db2.gz MVECYLHDSSINRT-UHFFFAOYSA-N -1 3 298.125 3.451 20 0 CGADHM COc1ccc(C(C)C)cc1Nc1cc(=O)[n-]c(C)n1 ZINC001173916708 808758042 /nfs/dbraw/zinc/75/80/42/808758042.db2.gz BORNOVIJMPEEAZ-UHFFFAOYSA-N -1 3 273.336 3.366 20 0 CGADHM CN(C)C(=O)c1cccc(Nc2cc(F)ccc2F)c1[O-] ZINC001173952083 808781042 /nfs/dbraw/zinc/78/10/42/808781042.db2.gz CIIRIPPNVRYWQB-UHFFFAOYSA-N -1 3 292.285 3.116 20 0 CGADHM CN(C)C(=O)c1ccc(Nc2cccc(Cl)c2[O-])cc1 ZINC001174005729 808816844 /nfs/dbraw/zinc/81/68/44/808816844.db2.gz DKOSLZQYIOUYII-UHFFFAOYSA-N -1 3 290.750 3.491 20 0 CGADHM [O-]c1cccc(Nc2cnc3nccnc3c2)c1Cl ZINC001213225709 815257414 /nfs/dbraw/zinc/25/74/14/815257414.db2.gz WHBGHGSKVKDEOC-UHFFFAOYSA-N -1 3 272.695 3.127 20 0 CGADHM [O-]c1cc(F)cnc1Nc1cccc(-c2cc[nH]n2)c1 ZINC001174506324 809052344 /nfs/dbraw/zinc/05/23/44/809052344.db2.gz FNCFUUJRFKLDNF-UHFFFAOYSA-N -1 3 270.267 3.060 20 0 CGADHM CCOc1ccc(Nc2cnc[n-]c2=O)c(C(F)(F)F)c1 ZINC001213234200 815258281 /nfs/dbraw/zinc/25/82/81/815258281.db2.gz HBSLRDFYRKSTFB-UHFFFAOYSA-N -1 3 299.252 3.343 20 0 CGADHM [O-]c1cc(Br)cnc1Nc1cc(F)ccc1O ZINC001174627144 809109350 /nfs/dbraw/zinc/10/93/50/809109350.db2.gz PHWZYTLWNMPUGO-UHFFFAOYSA-N -1 3 299.099 3.138 20 0 CGADHM O=c1cc(Nc2ccc(O)c(F)c2)[n-]n1-c1ccccc1 ZINC001174732239 809144529 /nfs/dbraw/zinc/14/45/29/809144529.db2.gz XQVIOJRRNNTMIJ-UHFFFAOYSA-N -1 3 285.278 3.166 20 0 CGADHM CN1CCN(c2ccc(Nc3ccccc3[S-])cc2)CC1 ZINC001174816163 809170168 /nfs/dbraw/zinc/17/01/68/809170168.db2.gz VGJUWOLQIHMLQT-UHFFFAOYSA-N -1 3 299.443 3.471 20 0 CGADHM O=c1[nH]c2ccc(Nc3cc(F)c([O-])c(F)c3)cc2o1 ZINC001213381997 815274528 /nfs/dbraw/zinc/27/45/28/815274528.db2.gz UQCSWCIAHNISBN-UHFFFAOYSA-N -1 3 278.214 3.261 20 0 CGADHM O=c1[nH]ccc2cc(Nc3cc(F)c([O-])c(F)c3)ccc21 ZINC001213382052 815274703 /nfs/dbraw/zinc/27/47/03/815274703.db2.gz XMUMHZRIXFZTRI-UHFFFAOYSA-N -1 3 288.253 3.256 20 0 CGADHM COc1cc(O)ccc1Nc1c(F)cc([O-])cc1F ZINC001175099371 809270138 /nfs/dbraw/zinc/27/01/38/809270138.db2.gz CQOMPUUPGBPXBX-UHFFFAOYSA-N -1 3 267.231 3.128 20 0 CGADHM Cn1cc2c(cccc2Nc2c(F)cc([O-])cc2F)n1 ZINC001175100390 809271291 /nfs/dbraw/zinc/27/12/91/809271291.db2.gz RKMMMKRKTGFPCV-UHFFFAOYSA-N -1 3 275.258 3.301 20 0 CGADHM [O-]c1ccc(F)c(Nc2cccc3nccn32)c1F ZINC001175261833 809327990 /nfs/dbraw/zinc/32/79/90/809327990.db2.gz RQVZGJYLDPTMMZ-UHFFFAOYSA-N -1 3 261.231 3.062 20 0 CGADHM CCOc1cccnc1Nc1c(F)ccc([O-])c1F ZINC001175262814 809329599 /nfs/dbraw/zinc/32/95/99/809329599.db2.gz MLVUAEBAVWFLJS-UHFFFAOYSA-N -1 3 266.247 3.208 20 0 CGADHM [O-]c1ccc(F)c(Nc2csc3nccnc23)c1F ZINC001175263333 809330165 /nfs/dbraw/zinc/33/01/65/809330165.db2.gz JHWSOIALTSDVPG-UHFFFAOYSA-N -1 3 279.271 3.419 20 0 CGADHM O=C1OCc2cc(Nc3c(F)ccc([O-])c3F)ccc21 ZINC001175265835 809330736 /nfs/dbraw/zinc/33/07/36/809330736.db2.gz PZKFSNBSTHTNDU-UHFFFAOYSA-N -1 3 277.226 3.084 20 0 CGADHM Cc1cnc(Cl)c(Nc2c(F)ccc([O-])c2F)c1N ZINC001175266664 809331024 /nfs/dbraw/zinc/33/10/24/809331024.db2.gz WCRTVZIBEOGFPM-UHFFFAOYSA-N -1 3 285.681 3.353 20 0 CGADHM Cc1nc(Nc2cc(Cl)ccc2F)cc(=O)[n-]1 ZINC001175299099 809343785 /nfs/dbraw/zinc/34/37/85/809343785.db2.gz GKENGNDPPNJWHA-UHFFFAOYSA-N -1 3 253.664 3.027 20 0 CGADHM CC[C@H](CC(=O)Nc1n[n-]c(-c2ccco2)n1)C(C)(C)C ZINC001289107107 809375902 /nfs/dbraw/zinc/37/59/02/809375902.db2.gz MZPFELPSSNFVQV-SNVBAGLBSA-N -1 3 290.367 3.466 20 0 CGADHM COc1cc([N-]c2nnc(C(C)C)o2)ccc1F ZINC001175393648 809389062 /nfs/dbraw/zinc/38/90/62/809389062.db2.gz WJVRZCYWIGNLPJ-UHFFFAOYSA-N -1 3 251.261 3.084 20 0 CGADHM Cn1ncc2c1cccc2Nc1ccc([O-])c(F)c1F ZINC001175435296 809403468 /nfs/dbraw/zinc/40/34/68/809403468.db2.gz UIUFMYKPWRZMPA-UHFFFAOYSA-N -1 3 275.258 3.301 20 0 CGADHM CCOc1ccc(-c2noc(-c3cc(Cl)n[n-]3)n2)cc1 ZINC001213500420 815290655 /nfs/dbraw/zinc/29/06/55/815290655.db2.gz HMXBGRTUZPMARH-UHFFFAOYSA-N -1 3 290.710 3.179 20 0 CGADHM Clc1cc(-c2nc(-c3ccc(Cl)cc3)no2)[n-]n1 ZINC001213500855 815291974 /nfs/dbraw/zinc/29/19/74/815291974.db2.gz SGOVGRAVPUJKQR-UHFFFAOYSA-N -1 3 281.102 3.434 20 0 CGADHM CSc1ccc([N-]c2noc(C(C)(C)C)n2)cn1 ZINC001175651741 809488982 /nfs/dbraw/zinc/48/89/82/809488982.db2.gz SCNJALDZKJJXCJ-UHFFFAOYSA-N -1 3 264.354 3.228 20 0 CGADHM C/C(=C\C(=O)Nc1ncccc1[O-])c1cccc(Cl)c1 ZINC001296268714 809501088 /nfs/dbraw/zinc/50/10/88/809501088.db2.gz QFPOKPJWRXBAFB-CSKARUKUSA-N -1 3 288.734 3.483 20 0 CGADHM Cc1ccc(F)c2oc(C(=O)Nc3ncccc3[O-])cc21 ZINC001296272352 809501367 /nfs/dbraw/zinc/50/13/67/809501367.db2.gz YCCWHQFKQBAGAY-UHFFFAOYSA-N -1 3 286.262 3.233 20 0 CGADHM Cc1n[nH]c2ccc([N-]c3nnc(C(C)C)o3)cc12 ZINC001175692781 809507996 /nfs/dbraw/zinc/50/79/96/809507996.db2.gz JMPCVGRKNJFJRU-UHFFFAOYSA-N -1 3 257.297 3.121 20 0 CGADHM Cc1nc(Cl)ccc1NC(=O)Cc1ccc([O-])c(F)c1 ZINC001297259971 809514967 /nfs/dbraw/zinc/51/49/67/809514967.db2.gz IHGMGEXFWYHXTH-UHFFFAOYSA-N -1 3 294.713 3.069 20 0 CGADHM CSc1ccc([O-])c(C(=O)NC(C)(C)C2CCC2)c1 ZINC001298170748 809530019 /nfs/dbraw/zinc/53/00/19/809530019.db2.gz QAOWBYAVEVSGSD-UHFFFAOYSA-N -1 3 279.405 3.423 20 0 CGADHM [O-]c1cc(F)c(Nc2cnn(C3CCC3)c2)cc1F ZINC001175762010 809536005 /nfs/dbraw/zinc/53/60/05/809536005.db2.gz ZPLQXABPLYVSRG-UHFFFAOYSA-N -1 3 265.263 3.336 20 0 CGADHM Cc1nocc1NC(=O)c1cc([O-])c2ccccc2c1 ZINC001300165386 809563532 /nfs/dbraw/zinc/56/35/32/809563532.db2.gz BFWHCWMBXFWEAY-UHFFFAOYSA-N -1 3 268.272 3.094 20 0 CGADHM COc1cccc([O-])c1C(=O)N[C@@H](C)C1CCC(F)CC1 ZINC001301482448 809584412 /nfs/dbraw/zinc/58/44/12/809584412.db2.gz PTNHVNXBHWUNQQ-UNXYVOJBSA-N -1 3 295.354 3.047 20 0 CGADHM [O-]c1cc(F)cnc1Nc1ccccc1OC(F)F ZINC001176012192 809602814 /nfs/dbraw/zinc/60/28/14/809602814.db2.gz LCPNKRGRNRNXTC-UHFFFAOYSA-N -1 3 270.210 3.271 20 0 CGADHM O=C(/C=C\c1ccsc1)[N-]Oc1ccccc1F ZINC001303333778 809609292 /nfs/dbraw/zinc/60/92/92/809609292.db2.gz ZCDGWEWGOASIDD-WAYWQWQTSA-N -1 3 263.293 3.011 20 0 CGADHM O=c1cc(Nc2cncc(C3CC3)c2)nc(C2CC2)[n-]1 ZINC001176282835 809659829 /nfs/dbraw/zinc/65/98/29/809659829.db2.gz WXFUCMCOLGQYHP-UHFFFAOYSA-N -1 3 268.320 3.076 20 0 CGADHM [O-]c1c(Cl)cccc1Nc1ccc2nonc2c1 ZINC001176326283 809668156 /nfs/dbraw/zinc/66/81/56/809668156.db2.gz UWJLCUZYAYVAOM-UHFFFAOYSA-N -1 3 261.668 3.325 20 0 CGADHM [O-]c1cc(Br)cnc1Nc1ccc(O)cc1F ZINC001176410185 809688189 /nfs/dbraw/zinc/68/81/89/809688189.db2.gz ISIQCRVAYPORNZ-UHFFFAOYSA-N -1 3 299.099 3.138 20 0 CGADHM Cc1ccc(C=CNc2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC001176424997 809693169 /nfs/dbraw/zinc/69/31/69/809693169.db2.gz XDFPOJNADKCNLI-CMDGGOBGSA-N -1 3 267.332 3.451 20 0 CGADHM Cc1coc([N-]c2cc(OC(C)C)ncc2F)n1 ZINC001176480354 809705252 /nfs/dbraw/zinc/70/52/52/809705252.db2.gz KZEIBIALMVRIRN-UHFFFAOYSA-N -1 3 251.261 3.048 20 0 CGADHM O=C(Nc1ccc(F)c([O-])c1)[C@@H]1CCc2ccccc21 ZINC001181760776 810069928 /nfs/dbraw/zinc/06/99/28/810069928.db2.gz UKSUVQYGODHBBZ-CYBMUJFWSA-N -1 3 271.291 3.200 20 0 CGADHM [O-]c1ccc(CNC[C@@H]2OCc3ccccc32)c(F)c1F ZINC001184339782 810194260 /nfs/dbraw/zinc/19/42/60/810194260.db2.gz SMGHJTTURQTGFJ-AWEZNQCLSA-N -1 3 291.297 3.032 20 0 CGADHM CC(C)(C)c1nnc([N-]c2ccc3cc[nH]c(=O)c3c2)o1 ZINC001213952078 815350275 /nfs/dbraw/zinc/35/02/75/815350275.db2.gz JFOIPHFWOCEEMT-UHFFFAOYSA-N -1 3 284.319 3.365 20 0 CGADHM O=c1ccc2c(Nc3ncc(Cl)cc3[O-])cccc2[nH]1 ZINC001213969759 815353850 /nfs/dbraw/zinc/35/38/50/815353850.db2.gz YFHRGQUPJJQHOX-UHFFFAOYSA-N -1 3 287.706 3.438 20 0 CGADHM CC(=O)c1cccc([O-])c1NC(=O)NCC1CCCCC1 ZINC001186883865 810369764 /nfs/dbraw/zinc/36/97/64/810369764.db2.gz WTVYDACALGZKKY-UHFFFAOYSA-N -1 3 290.363 3.297 20 0 CGADHM CCc1cccc(C)c1NC(=O)Nc1cncc([O-])c1 ZINC001189945094 810596039 /nfs/dbraw/zinc/59/60/39/810596039.db2.gz GPNRKIQWXHSDDH-UHFFFAOYSA-N -1 3 271.320 3.302 20 0 CGADHM Cc1cc(=O)[n-]c(CSc2nc3ccc(F)cc3o2)n1 ZINC001190138079 810609765 /nfs/dbraw/zinc/60/97/65/810609765.db2.gz BWQCQGFQABJWDI-UHFFFAOYSA-N -1 3 291.307 3.063 20 0 CGADHM C[C@H]1CC[C@H](NC(=O)Nc2ccc(F)c([O-])c2)CC1 ZINC001191823731 810747396 /nfs/dbraw/zinc/74/73/96/810747396.db2.gz XHDUWEXJNHFECX-MGCOHNPYSA-N -1 3 266.316 3.232 20 0 CGADHM Cc1ccc(O)cc1Nc1cc(F)c([O-])c(F)c1 ZINC001214347698 815398726 /nfs/dbraw/zinc/39/87/26/815398726.db2.gz CEULOTJGGVQEIZ-UHFFFAOYSA-N -1 3 251.232 3.428 20 0 CGADHM C[C@@H]1CN(C(=O)c2ccc([O-])cc2C(F)(F)F)C2(CC2)C1 ZINC001193745191 810946218 /nfs/dbraw/zinc/94/62/18/810946218.db2.gz FRFBVNGNOLFIGD-VIFPVBQESA-N -1 3 299.292 3.426 20 0 CGADHM Cc1nc2ccc(N)cc2n1-c1cc(F)c([O-])c(Cl)c1 ZINC001214489217 815417223 /nfs/dbraw/zinc/41/72/23/815417223.db2.gz YIIKIWXMTNHSHF-UHFFFAOYSA-N -1 3 291.713 3.414 20 0 CGADHM O=C1NCc2c1cccc2Nc1c(Cl)ccc([O-])c1F ZINC001214559330 815424456 /nfs/dbraw/zinc/42/44/56/815424456.db2.gz MMVHPEMJJACMKT-UHFFFAOYSA-N -1 3 292.697 3.172 20 0 CGADHM COc1ccc(Nc2c(Cl)ccc([O-])c2F)cn1 ZINC001214554048 815422017 /nfs/dbraw/zinc/42/20/17/815422017.db2.gz IKISOAHDSMUFAS-UHFFFAOYSA-N -1 3 268.675 3.332 20 0 CGADHM CC(C)c1cccc(NC(=O)c2cnc(C(F)(F)F)[n-]2)n1 ZINC001194769955 811129272 /nfs/dbraw/zinc/12/92/72/811129272.db2.gz BJIKVBITGDKXSR-UHFFFAOYSA-N -1 3 298.268 3.199 20 0 CGADHM O=C(Nc1ccc2c(c1)N=NC2)c1cnc(C(F)(F)F)[n-]1 ZINC001194783116 811131876 /nfs/dbraw/zinc/13/18/76/811131876.db2.gz FOWNRVTZUCSUEU-UHFFFAOYSA-N -1 3 295.224 3.278 20 0 CGADHM Cc1nc2ccc(Nc3c(Cl)ccc([O-])c3F)cn2n1 ZINC001214556493 815423781 /nfs/dbraw/zinc/42/37/81/815423781.db2.gz USBMQSGMJANMLA-UHFFFAOYSA-N -1 3 292.701 3.279 20 0 CGADHM [O-]c1ccc(Cl)c(Nc2ccc(CO)cc2)c1F ZINC001214559050 815424362 /nfs/dbraw/zinc/42/43/62/815424362.db2.gz FLIASWJEBSAILT-UHFFFAOYSA-N -1 3 267.687 3.421 20 0 CGADHM Cc1coc(C(=O)[N-]c2cc3oc(C)nc3cc2Cl)n1 ZINC001195759651 811288409 /nfs/dbraw/zinc/28/84/09/811288409.db2.gz GSSCEXGHXIFGFQ-UHFFFAOYSA-N -1 3 291.694 3.338 20 0 CGADHM CC(=O)c1ccc(Nc2cncc([O-])c2)c(Cl)c1 ZINC001201646872 811929476 /nfs/dbraw/zinc/92/94/76/811929476.db2.gz QPQOQSHCCKVIGZ-UHFFFAOYSA-N -1 3 262.696 3.387 20 0 CGADHM COc1ccc(-c2noc(-c3ccccc3[O-])n2)c(C)c1 ZINC001215139618 815487895 /nfs/dbraw/zinc/48/78/95/815487895.db2.gz HDNHUJVADNRJLY-UHFFFAOYSA-N -1 3 282.299 3.426 20 0 CGADHM COCOc1ccc(Nc2ncc(F)cc2[O-])cc1Cl ZINC001215255453 815500114 /nfs/dbraw/zinc/50/01/14/815500114.db2.gz QZJVWKDQMWELNG-UHFFFAOYSA-N -1 3 298.701 3.306 20 0 CGADHM CC(=O)c1cccc(NC(=O)NC2CCCCC2)c1[O-] ZINC001202614862 812136021 /nfs/dbraw/zinc/13/60/21/812136021.db2.gz BQEFGCIAVKLLNO-UHFFFAOYSA-N -1 3 276.336 3.049 20 0 CGADHM CCOc1ccc(-c2noc(-c3c([O-])cccc3O)n2)cc1 ZINC001215301906 815505202 /nfs/dbraw/zinc/50/52/02/815505202.db2.gz KLJAQXJGDGFOLR-UHFFFAOYSA-N -1 3 298.298 3.214 20 0 CGADHM [O-]c1cc(F)cc(F)c1Nc1cc2n[nH]cc2c(F)c1 ZINC001215555206 815533349 /nfs/dbraw/zinc/53/33/49/815533349.db2.gz QIPGKMSRNKMTRS-UHFFFAOYSA-N -1 3 279.221 3.429 20 0 CGADHM [O-]c1cc(F)cc(F)c1Nc1cc2[nH]ncc2c(F)c1 ZINC001215555206 815533353 /nfs/dbraw/zinc/53/33/53/815533353.db2.gz QIPGKMSRNKMTRS-UHFFFAOYSA-N -1 3 279.221 3.429 20 0 CGADHM Cc1nc(Cl)cc(Nc2cc(F)c([O-])cc2F)n1 ZINC001215570596 815536748 /nfs/dbraw/zinc/53/67/48/815536748.db2.gz VLRPAYOIIJKCTO-UHFFFAOYSA-N -1 3 271.654 3.166 20 0 CGADHM CCn1nccc1Nc1ccc(C)c([O-])c1Cl ZINC001205317607 812950799 /nfs/dbraw/zinc/95/07/99/812950799.db2.gz FWYIRNQYRJRNDD-UHFFFAOYSA-N -1 3 251.717 3.314 20 0 CGADHM Cc1ccc2sc([N-]c3cnn4cccnc34)nc2c1 ZINC001205946627 813143927 /nfs/dbraw/zinc/14/39/27/813143927.db2.gz ZWHTZHIZELEEBN-UHFFFAOYSA-N -1 3 281.344 3.391 20 0 CGADHM CSc1ccnc(-c2ccc([O-])cc2F)c1F ZINC001206038478 813176791 /nfs/dbraw/zinc/17/67/91/813176791.db2.gz ZDGAMKBIIJBQLE-UHFFFAOYSA-N -1 3 253.273 3.454 20 0 CGADHM CC[C@H](C)Oc1nccnc1-c1ccc([O-])cc1F ZINC001206044946 813179549 /nfs/dbraw/zinc/17/95/49/813179549.db2.gz UOJHGXDQLACFAO-VIFPVBQESA-N -1 3 262.284 3.166 20 0 CGADHM CC(C)Sc1ccc(-c2ccc([O-])cc2F)nn1 ZINC001206044980 813179601 /nfs/dbraw/zinc/17/96/01/813179601.db2.gz VNTRVILKJHWGSF-UHFFFAOYSA-N -1 3 264.325 3.489 20 0 CGADHM [O-]c1ccc(-c2ncnc3c(F)c(F)ccc32)c(F)c1 ZINC001206051060 813181774 /nfs/dbraw/zinc/18/17/74/813181774.db2.gz GITMECLPNDFOLF-UHFFFAOYSA-N -1 3 276.217 3.420 20 0 CGADHM COC(=O)c1cccc(-c2ccc([O-])cc2F)c1F ZINC001206057851 813185972 /nfs/dbraw/zinc/18/59/72/813185972.db2.gz RDHSZAJTBNYQQX-UHFFFAOYSA-N -1 3 264.227 3.124 20 0 CGADHM Cn1ccc(Nc2cc(Cl)c([O-])cc2Cl)cc1=O ZINC001206115747 813204123 /nfs/dbraw/zinc/20/41/23/813204123.db2.gz WDEZXUNAMQWKMY-UHFFFAOYSA-N -1 3 285.130 3.141 20 0 CGADHM [O-]c1cc(F)c(Nc2cc(O)cc(F)c2)cc1F ZINC001208124995 813699802 /nfs/dbraw/zinc/69/98/02/813699802.db2.gz DJOYPIMNXSYUHD-UHFFFAOYSA-N -1 3 255.195 3.259 20 0 CGADHM Fc1cc(-c2cnc3sccc3c2)ccc1-c1nnn[n-]1 ZINC001242680808 823099060 /nfs/dbraw/zinc/09/90/60/823099060.db2.gz XGMGDRILXZGLLB-UHFFFAOYSA-N -1 3 297.318 3.283 20 0 CGADHM Fc1cc(-c2cnc3sccc3c2)ccc1-c1nn[n-]n1 ZINC001242680808 823099065 /nfs/dbraw/zinc/09/90/65/823099065.db2.gz XGMGDRILXZGLLB-UHFFFAOYSA-N -1 3 297.318 3.283 20 0 CGADHM CCOc1ccc([N-]c2nnc(C)o2)c(Cl)c1 ZINC001209894604 814191667 /nfs/dbraw/zinc/19/16/67/814191667.db2.gz ZCRVAVOMJDEFFU-UHFFFAOYSA-N -1 3 253.689 3.174 20 0 CGADHM O=C1CCCc2nc(Nc3ccc(F)cc3[O-])sc21 ZINC001210015032 814244342 /nfs/dbraw/zinc/24/43/42/814244342.db2.gz URFUEOAYGHLCDY-UHFFFAOYSA-N -1 3 278.308 3.250 20 0 CGADHM O=c1cc[nH]c(Cl)c1Nc1ccc(F)cc1[O-] ZINC001210015734 814245879 /nfs/dbraw/zinc/24/58/79/814245879.db2.gz ONLNHYODQHVQAE-UHFFFAOYSA-N -1 3 254.648 3.029 20 0 CGADHM c1cc(OCC2CC2)cc(-c2cccc(-c3nnn[n-]3)c2)c1 ZINC001210051694 814264527 /nfs/dbraw/zinc/26/45/27/814264527.db2.gz PCPAOLQMXVVSKR-UHFFFAOYSA-N -1 3 292.342 3.323 20 0 CGADHM c1cc(OCC2CC2)cc(-c2cccc(-c3nn[n-]n3)c2)c1 ZINC001210051694 814264536 /nfs/dbraw/zinc/26/45/36/814264536.db2.gz PCPAOLQMXVVSKR-UHFFFAOYSA-N -1 3 292.342 3.323 20 0 CGADHM Cc1nc(Nc2c(F)cccc2C(F)(F)F)cc(=O)[n-]1 ZINC001210128281 814303508 /nfs/dbraw/zinc/30/35/08/814303508.db2.gz DXDWFPSZLBNOFI-UHFFFAOYSA-N -1 3 287.216 3.392 20 0 CGADHM [O-]c1c(Cl)cccc1Nc1cc(F)ccc1CO ZINC001210185024 814325776 /nfs/dbraw/zinc/32/57/76/814325776.db2.gz IPHJTWKOWPBJIC-UHFFFAOYSA-N -1 3 267.687 3.421 20 0 CGADHM Nc1ccc2nn(-c3cccc(F)c3[O-])c(Cl)c2c1 ZINC001210197233 814333960 /nfs/dbraw/zinc/33/39/60/814333960.db2.gz JDOQVSFOCMMHSM-UHFFFAOYSA-N -1 3 277.686 3.106 20 0 CGADHM O=C1CCc2c1cccc2Nc1cccc(F)c1[O-] ZINC001210198488 814335630 /nfs/dbraw/zinc/33/56/30/814335630.db2.gz UKVXKAHVVKKTIC-UHFFFAOYSA-N -1 3 257.264 3.404 20 0 CGADHM CCOC(=O)c1ncccc1Nc1cccc(Cl)c1[O-] ZINC001210218053 814347282 /nfs/dbraw/zinc/34/72/82/814347282.db2.gz BJSOYEAZCUYTED-UHFFFAOYSA-N -1 3 292.722 3.361 20 0 CGADHM [O-]c1c(Cl)cccc1Nc1ccc(CCO)cc1 ZINC001210220653 814348890 /nfs/dbraw/zinc/34/88/90/814348890.db2.gz VXQAIDSINOCBFX-UHFFFAOYSA-N -1 3 263.724 3.324 20 0 CGADHM Cc1ccc2c(c1Nc1cccc(Cl)c1[O-])CNC2=O ZINC001210220690 814348984 /nfs/dbraw/zinc/34/89/84/814348984.db2.gz XCZCJVRNWLQTMA-UHFFFAOYSA-N -1 3 288.734 3.341 20 0 CGADHM O=c1cnc2cc(Nc3cccc(Cl)c3[O-])ccc2[nH]1 ZINC001210222669 814350283 /nfs/dbraw/zinc/35/02/83/814350283.db2.gz SJQBAMOJXALDTA-UHFFFAOYSA-N -1 3 287.706 3.026 20 0 CGADHM CNC(=O)c1cc(Nc2cccc(Cl)c2[O-])ccc1F ZINC001210222814 814351269 /nfs/dbraw/zinc/35/12/69/814351269.db2.gz BAUSOQLVEMTMSA-UHFFFAOYSA-N -1 3 294.713 3.288 20 0 CGADHM CC(C)n1ccc(Nc2nc(Br)ccc2[O-])n1 ZINC001210336478 814409780 /nfs/dbraw/zinc/40/97/80/814409780.db2.gz QKPLHHRZOYALMY-UHFFFAOYSA-N -1 3 297.156 3.071 20 0 CGADHM CCc1cc(OC)ccc1Nc1cc(=O)[n-]c(C2CC2)n1 ZINC001210711373 814592612 /nfs/dbraw/zinc/59/26/12/814592612.db2.gz MZKXSXJSKKPDMK-UHFFFAOYSA-N -1 3 285.347 3.374 20 0 CGADHM Cc1ccc(-c2ccc3ccccc3n2)cc1-c1nnn[n-]1 ZINC001242775483 823129162 /nfs/dbraw/zinc/12/91/62/823129162.db2.gz FWDLUTZPRFGHIL-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM Cc1ccc(-c2ccc3ccccc3n2)cc1-c1nn[n-]n1 ZINC001242775483 823129166 /nfs/dbraw/zinc/12/91/66/823129166.db2.gz FWDLUTZPRFGHIL-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM c1ccc2nc(-c3cccc(-c4nnn[n-]4)c3)ccc2c1 ZINC001242777262 823130236 /nfs/dbraw/zinc/13/02/36/823130236.db2.gz YDSFGBHJANWWJG-UHFFFAOYSA-N -1 3 273.299 3.082 20 0 CGADHM c1ccc2nc(-c3cccc(-c4nn[n-]n4)c3)ccc2c1 ZINC001242777262 823130237 /nfs/dbraw/zinc/13/02/37/823130237.db2.gz YDSFGBHJANWWJG-UHFFFAOYSA-N -1 3 273.299 3.082 20 0 CGADHM COc1cc(Nc2cc(=O)n(-c3ccccc3)[n-]2)cc(C)n1 ZINC001210779022 814624567 /nfs/dbraw/zinc/62/45/67/814624567.db2.gz CBLTWVYOGBYLHE-UHFFFAOYSA-N -1 3 296.330 3.034 20 0 CGADHM [O-]c1cccc(Nc2nccnc2C2CC2)c1Cl ZINC001210844465 814649592 /nfs/dbraw/zinc/64/95/92/814649592.db2.gz IULAKFMXUPFQRJ-UHFFFAOYSA-N -1 3 261.712 3.457 20 0 CGADHM COC(=O)c1cccc(N)c1Nc1cccc([O-])c1Cl ZINC001210854606 814652463 /nfs/dbraw/zinc/65/24/63/814652463.db2.gz HMXIIENLFNRWTH-UHFFFAOYSA-N -1 3 292.722 3.158 20 0 CGADHM COc1ccc(N)c(Nc2cccc([O-])c2Cl)c1 ZINC001210854339 814652563 /nfs/dbraw/zinc/65/25/63/814652563.db2.gz PUMLWARGZQVYEU-UHFFFAOYSA-N -1 3 264.712 3.380 20 0 CGADHM O=C1COc2cccc(Nc3cccc([O-])c3Cl)c2N1 ZINC001210854993 814652651 /nfs/dbraw/zinc/65/26/51/814652651.db2.gz OLORYZAFZDQDMD-UHFFFAOYSA-N -1 3 290.706 3.120 20 0 CGADHM O=c1ccn(-c2ccc(Nc3c[nH]c4ncccc34)cc2)[n-]1 ZINC001210946044 814685316 /nfs/dbraw/zinc/68/53/16/814685316.db2.gz HJTZOEQHVBDHRQ-UHFFFAOYSA-N -1 3 291.314 3.198 20 0 CGADHM CCOC(=O)c1nnsc1[N-]c1ccccc1SC ZINC001211062720 814727282 /nfs/dbraw/zinc/72/72/82/814727282.db2.gz FKFRXUCLAIITIQ-UHFFFAOYSA-N -1 3 295.389 3.180 20 0 CGADHM CCOC(=O)c1cccc([N-]c2noc(C(C)(C)C)n2)c1 ZINC001211205112 814846751 /nfs/dbraw/zinc/84/67/51/814846751.db2.gz WNNHTTULQGRAQI-UHFFFAOYSA-N -1 3 289.335 3.287 20 0 CGADHM CCOC(=O)c1nc(C2CC2)oc1[N-]c1ccoc1C ZINC001211239200 814857606 /nfs/dbraw/zinc/85/76/06/814857606.db2.gz JKXFAFXCCFMTSO-UHFFFAOYSA-N -1 3 276.292 3.374 20 0 CGADHM CN(C)C(=O)c1cccc(Nc2cc3ccccc3[nH]2)c1[O-] ZINC001211309910 814877183 /nfs/dbraw/zinc/87/71/83/814877183.db2.gz GKKKCBMKQIQPSA-UHFFFAOYSA-N -1 3 295.342 3.319 20 0 CGADHM CCCOc1ccccc1Nc1cc(=O)[n-]c(C)n1 ZINC001211378533 814887366 /nfs/dbraw/zinc/88/73/66/814887366.db2.gz VJWNFJIZVKBSJZ-UHFFFAOYSA-N -1 3 259.309 3.023 20 0 CGADHM Cc1ccc(Nc2ccccc2CN(C)C)cc1C(=O)[O-] ZINC001211606776 814917098 /nfs/dbraw/zinc/91/70/98/814917098.db2.gz ZHPVXUWOYYMCHT-UHFFFAOYSA-N -1 3 284.359 3.498 20 0 CGADHM CCc1cc(Nc2cc(F)c([O-])c(F)c2)ccc1CO ZINC001216107492 815698094 /nfs/dbraw/zinc/69/80/94/815698094.db2.gz DUMGZRRWUPXTKU-UHFFFAOYSA-N -1 3 279.286 3.469 20 0 CGADHM CNc1cc(F)cc([N-]c2nnc(C(C)(C)C)o2)c1 ZINC001216183848 815724447 /nfs/dbraw/zinc/72/44/47/815724447.db2.gz BKXQSTALROYGAE-UHFFFAOYSA-N -1 3 264.304 3.292 20 0 CGADHM Cc1c(O)cccc1Nc1cc([O-])c(F)cc1F ZINC001216320888 815781451 /nfs/dbraw/zinc/78/14/51/815781451.db2.gz JYAHKEPLNNDCCS-UHFFFAOYSA-N -1 3 251.232 3.428 20 0 CGADHM COc1cnc(F)c(Nc2cccc(Cl)c2[O-])c1 ZINC001216408677 815817420 /nfs/dbraw/zinc/81/74/20/815817420.db2.gz HDYLJFYQJOOEPG-UHFFFAOYSA-N -1 3 268.675 3.332 20 0 CGADHM COc1cc(Nc2cccc(Cl)c2[O-])cnc1F ZINC001216422119 815822400 /nfs/dbraw/zinc/82/24/00/815822400.db2.gz FKXLYTODGMZHAX-UHFFFAOYSA-N -1 3 268.675 3.332 20 0 CGADHM CC(C)c1ccc(Nc2cnc[n-]c2=O)c(Cl)n1 ZINC001216445841 815831121 /nfs/dbraw/zinc/83/11/21/815831121.db2.gz QMIBGRKYGXVBBW-UHFFFAOYSA-N -1 3 264.716 3.098 20 0 CGADHM [O-]c1cc(F)cnc1Nc1ccnc(OCC2CCC2)c1 ZINC001216594181 815869961 /nfs/dbraw/zinc/86/99/61/815869961.db2.gz CJNGIPZIKPNXBV-UHFFFAOYSA-N -1 3 289.310 3.244 20 0 CGADHM CC(C)Oc1ncc(Nc2cccc([O-])c2Cl)cn1 ZINC001216621170 815878365 /nfs/dbraw/zinc/87/83/65/815878365.db2.gz MPDMYTXRWNGVJY-UHFFFAOYSA-N -1 3 279.727 3.366 20 0 CGADHM Cc1ccc(-c2noc(-c3cc(O)ccc3[O-])n2)cc1C ZINC001216735845 815896168 /nfs/dbraw/zinc/89/61/68/815896168.db2.gz ZDKWPIJGPJZVNP-UHFFFAOYSA-N -1 3 282.299 3.432 20 0 CGADHM C=C(c1ccccc1)c1cc(-c2nnn[n-]2)ccc1F ZINC001242893182 823166308 /nfs/dbraw/zinc/16/63/08/823166308.db2.gz NZXRKDADHHMMJU-UHFFFAOYSA-N -1 3 266.279 3.067 20 0 CGADHM C=C(c1ccccc1)c1cc(-c2nn[n-]n2)ccc1F ZINC001242893182 823166309 /nfs/dbraw/zinc/16/63/09/823166309.db2.gz NZXRKDADHHMMJU-UHFFFAOYSA-N -1 3 266.279 3.067 20 0 CGADHM Clc1ccccc1-c1cccc(-c2nnn[n-]2)c1 ZINC001222441442 816446723 /nfs/dbraw/zinc/44/67/23/816446723.db2.gz TZMKHQRZYZCNOO-UHFFFAOYSA-N -1 3 256.696 3.187 20 0 CGADHM Clc1ccccc1-c1cccc(-c2nn[n-]n2)c1 ZINC001222441442 816446724 /nfs/dbraw/zinc/44/67/24/816446724.db2.gz TZMKHQRZYZCNOO-UHFFFAOYSA-N -1 3 256.696 3.187 20 0 CGADHM [O-]c1cc(-c2cc(-c3cccnc3)ncn2)ccc1F ZINC001243050666 823227997 /nfs/dbraw/zinc/22/79/97/823227997.db2.gz YRMLUCZZEFHWRD-UHFFFAOYSA-N -1 3 267.263 3.050 20 0 CGADHM [O-]c1cc(-c2cnc(OCC3CCC3)nc2)ccc1F ZINC001243046393 823223836 /nfs/dbraw/zinc/22/38/36/823223836.db2.gz GDRRPWGRPPKZSV-UHFFFAOYSA-N -1 3 274.295 3.167 20 0 CGADHM O=c1ccc(-c2ccc(F)c([O-])c2)cn1C1CCC1 ZINC001243048296 823225832 /nfs/dbraw/zinc/22/58/32/823225832.db2.gz VAWDDDYUOIGKHG-UHFFFAOYSA-N -1 3 259.280 3.085 20 0 CGADHM C[C@H]1C(=O)Nc2cc(-c3ccc(F)c([O-])c3)ccc21 ZINC001243050813 823227522 /nfs/dbraw/zinc/22/75/22/823227522.db2.gz YSROVPRFQTXDPK-MRVPVSSYSA-N -1 3 257.264 3.254 20 0 CGADHM COC(=O)c1c(F)cc(F)cc1-c1ccc(F)c([O-])c1 ZINC001243063728 823232740 /nfs/dbraw/zinc/23/27/40/823232740.db2.gz VLKRTTINXVQBPQ-UHFFFAOYSA-N -1 3 282.217 3.263 20 0 CGADHM C[C@@H](COc1ccc2c([O-])coc2c1)OCc1ccccc1 ZINC001225342337 817017419 /nfs/dbraw/zinc/01/74/19/817017419.db2.gz HVSCOQLUCXEVRI-ZDUSSCGKSA-N -1 3 298.338 3.246 20 0 CGADHM CC1(C)[C@@H]2C[C@@H](Oc3ccc4c([O-])coc4c3)C[C@@H]21 ZINC001225343165 817019168 /nfs/dbraw/zinc/01/91/68/817019168.db2.gz REODTUXLRVCSID-UOJUARBOSA-N -1 3 258.317 3.075 20 0 CGADHM C[C@H]1CCC[C@H](Oc2nc(=O)[n-]cc2C(F)(F)F)C1 ZINC001225579052 817099121 /nfs/dbraw/zinc/09/91/21/817099121.db2.gz JWSPVFBGWVGOKN-YUMQZZPRSA-N -1 3 276.258 3.159 20 0 CGADHM Cc1cnc(=S)[n-]c1O[C@@H]1CCc2cc(F)ccc21 ZINC001225740706 817162496 /nfs/dbraw/zinc/16/24/96/817162496.db2.gz IVGXMRKKHLHOHB-GFCCVEGCSA-N -1 3 276.336 3.279 20 0 CGADHM C[C@H]1CC[C@H](Oc2cc(C(F)(F)F)[n-]c(=S)n2)C1 ZINC001225854519 817196430 /nfs/dbraw/zinc/19/64/30/817196430.db2.gz VHBYPTNVYINRSO-BQBZGAKWSA-N -1 3 278.299 3.352 20 0 CGADHM CC(=O)c1ccc([O-])c(O[C@H](C(C)=O)c2ccccc2)c1 ZINC001225994707 817242637 /nfs/dbraw/zinc/24/26/37/817242637.db2.gz NVQSFAJCNDJTMG-QGZVFWFLSA-N -1 3 284.311 3.304 20 0 CGADHM CC(=O)c1ccc([O-])c(O[C@H](C)c2ccncc2)c1 ZINC001225999619 817244951 /nfs/dbraw/zinc/24/49/51/817244951.db2.gz ZMJGRWUNUOYGFR-LLVKDONJSA-N -1 3 257.289 3.130 20 0 CGADHM FC1(F)C[C@@H](Oc2[n-]c(=S)ncc2C2CC2)C1(F)F ZINC001226118311 817277979 /nfs/dbraw/zinc/27/79/79/817277979.db2.gz CYHFKWFFJJXGEN-SSDOTTSWSA-N -1 3 294.273 3.064 20 0 CGADHM C[C@@H](Oc1[n-]c(=S)ncc1C1CC1)c1ncccc1F ZINC001226119220 817278241 /nfs/dbraw/zinc/27/82/41/817278241.db2.gz LRZMWBSLHCQEPA-MRVPVSSYSA-N -1 3 291.351 3.317 20 0 CGADHM CCc1nc(O[C@@H](C)c2cccc(F)c2F)cc(=O)[n-]1 ZINC001226475357 817369251 /nfs/dbraw/zinc/36/92/51/817369251.db2.gz KKFPQVWKECIQDY-QMMMGPOBSA-N -1 3 280.274 3.163 20 0 CGADHM CC(=O)c1ccc([O-])c(O[C@@H](c2cccnc2)C2CC2)c1O ZINC001226481067 817371896 /nfs/dbraw/zinc/37/18/96/817371896.db2.gz BVSKDBWRYCRJTG-MRXNPFEDSA-N -1 3 299.326 3.226 20 0 CGADHM Cc1nc(O[C@H](c2ccccc2)C(F)(F)F)cc(=O)[n-]1 ZINC001226510850 817380758 /nfs/dbraw/zinc/38/07/58/817380758.db2.gz RIIGKMTYDWGKFC-GFCCVEGCSA-N -1 3 284.237 3.173 20 0 CGADHM Cc1ccc(OC(C)C)c(COc2cc(=O)[n-]c(C)n2)c1 ZINC001226510593 817380871 /nfs/dbraw/zinc/38/08/71/817380871.db2.gz MHORBCGRIBGJOE-UHFFFAOYSA-N -1 3 288.347 3.165 20 0 CGADHM C[C@@H](Oc1c([O-])ccc2ccc(=O)oc21)c1ccco1 ZINC001226598126 817409327 /nfs/dbraw/zinc/40/93/27/817409327.db2.gz BMUCPZQRSJQUQV-SECBINFHSA-N -1 3 272.256 3.232 20 0 CGADHM C[C@H]1CCC[C@@H]1Oc1c([O-])ccc2ccc(=O)oc21 ZINC001226597875 817410037 /nfs/dbraw/zinc/41/00/37/817410037.db2.gz WZKRPIVWBXXQMM-CABZTGNLSA-N -1 3 260.289 3.066 20 0 CGADHM [O-]c1cccc(OC2CCC3(CC2)OCCO3)c1Cl ZINC001226712261 817443320 /nfs/dbraw/zinc/44/33/20/817443320.db2.gz QTWMBAFLSVCRCP-UHFFFAOYSA-N -1 3 284.739 3.110 20 0 CGADHM C[C@@H](Oc1cc(=O)[n-]cn1)c1cccc(C(F)(F)F)c1 ZINC001226946884 817512623 /nfs/dbraw/zinc/51/26/23/817512623.db2.gz LURXXNHRZNESBN-MRVPVSSYSA-N -1 3 284.237 3.341 20 0 CGADHM O=c1cc(OC2c3ccccc3-c3ccccc32)nc[n-]1 ZINC001226945270 817512973 /nfs/dbraw/zinc/51/29/73/817512973.db2.gz RLTPRPBAZRGHDW-UHFFFAOYSA-N -1 3 276.295 3.331 20 0 CGADHM C[C@H](Oc1ccc(=O)[n-]n1)c1ccccc1C(F)(F)F ZINC001227096153 817556847 /nfs/dbraw/zinc/55/68/47/817556847.db2.gz ZFHZXKKGSSTVLR-QMMMGPOBSA-N -1 3 284.237 3.341 20 0 CGADHM C[C@H](Oc1c([O-])cc(Br)cc1F)C1CC1 ZINC001227582827 817676502 /nfs/dbraw/zinc/67/65/02/817676502.db2.gz GDGAWSUFLAIFPK-LURJTMIESA-N -1 3 275.117 3.471 20 0 CGADHM Cc1cccc([C@H](C)Oc2[nH]c(=S)nc3nc[n-]c32)c1 ZINC001227615505 817682596 /nfs/dbraw/zinc/68/25/96/817682596.db2.gz BPOZHLDKVQBFLJ-VIFPVBQESA-N -1 3 286.360 3.090 20 0 CGADHM CCCC(=O)[C@@H](CCC)Oc1ncc(Cl)cc1[O-] ZINC001227981519 817771999 /nfs/dbraw/zinc/77/19/99/817771999.db2.gz XFJVWVNJVPDENP-GFCCVEGCSA-N -1 3 271.744 3.357 20 0 CGADHM CCCc1c([O-])ccc(C(C)=O)c1O[C@@H]1CCOC[C@H]1C ZINC001228136674 817821245 /nfs/dbraw/zinc/82/12/45/817821245.db2.gz PSVHYRNPWQSTQN-BDJLRTHQSA-N -1 3 292.375 3.351 20 0 CGADHM Cc1cc(C(=O)[O-])ccc1-c1ccc2c(N)ccnc2c1 ZINC001243206454 823291011 /nfs/dbraw/zinc/29/10/11/823291011.db2.gz YJZGMWBTKAZGDM-UHFFFAOYSA-N -1 3 278.311 3.491 20 0 CGADHM Cc1cc(-c2cncc3cc[nH]c32)ccc1C(=O)[O-] ZINC001243215038 823296253 /nfs/dbraw/zinc/29/62/53/823296253.db2.gz QBPVSVUQDLDEQD-UHFFFAOYSA-N -1 3 252.273 3.237 20 0 CGADHM C[C@H]1CCC[C@H](C)C1Oc1nnc(-c2cccnc2)[n-]1 ZINC001228697020 817976830 /nfs/dbraw/zinc/97/68/30/817976830.db2.gz DMQXKRDVSOOWMG-QWRGUYRKSA-N -1 3 272.352 3.070 20 0 CGADHM C[C@H]1CCC[C@H](C)C1Oc1nc(-c2cccnc2)n[n-]1 ZINC001228697020 817976834 /nfs/dbraw/zinc/97/68/34/817976834.db2.gz DMQXKRDVSOOWMG-QWRGUYRKSA-N -1 3 272.352 3.070 20 0 CGADHM C[C@H]1CCC[C@H](C)C1Oc1n[n-]c(-c2cccnc2)n1 ZINC001228697020 817976841 /nfs/dbraw/zinc/97/68/41/817976841.db2.gz DMQXKRDVSOOWMG-QWRGUYRKSA-N -1 3 272.352 3.070 20 0 CGADHM c1ccc([C@@H](Oc2n[n-]c(-c3ccncc3)n2)C2CC2)cc1 ZINC001228696600 817978026 /nfs/dbraw/zinc/97/80/26/817978026.db2.gz ATWLCJFSVVXGPD-OAHLLOKOSA-N -1 3 292.342 3.397 20 0 CGADHM c1cncc(-c2nnc(OC3CCCCCCC3)[n-]2)c1 ZINC001228699056 817979529 /nfs/dbraw/zinc/97/95/29/817979529.db2.gz UNNDIUJPYQIWSJ-UHFFFAOYSA-N -1 3 272.352 3.358 20 0 CGADHM c1cncc(-c2n[n-]c(OC3CCCCCCC3)n2)c1 ZINC001228699056 817979535 /nfs/dbraw/zinc/97/95/35/817979535.db2.gz UNNDIUJPYQIWSJ-UHFFFAOYSA-N -1 3 272.352 3.358 20 0 CGADHM c1cncc(-c2nc(OC3CCCCCCC3)n[n-]2)c1 ZINC001228699056 817979537 /nfs/dbraw/zinc/97/95/37/817979537.db2.gz UNNDIUJPYQIWSJ-UHFFFAOYSA-N -1 3 272.352 3.358 20 0 CGADHM CC(C)CCC[C@@H](C)Oc1nnc(-c2cccnc2)[n-]1 ZINC001228699539 817980114 /nfs/dbraw/zinc/98/01/14/817980114.db2.gz YWNXDPHVPBBHDI-GFCCVEGCSA-N -1 3 274.368 3.460 20 0 CGADHM CC(C)CCC[C@@H](C)Oc1nc(-c2cccnc2)n[n-]1 ZINC001228699539 817980118 /nfs/dbraw/zinc/98/01/18/817980118.db2.gz YWNXDPHVPBBHDI-GFCCVEGCSA-N -1 3 274.368 3.460 20 0 CGADHM CC(C)CCC[C@@H](C)Oc1n[n-]c(-c2cccnc2)n1 ZINC001228699539 817980122 /nfs/dbraw/zinc/98/01/22/817980122.db2.gz YWNXDPHVPBBHDI-GFCCVEGCSA-N -1 3 274.368 3.460 20 0 CGADHM O=C1CCc2cc([O-])c(O[C@@H]3CC4CCC3CC4)cc21 ZINC001228854108 818023503 /nfs/dbraw/zinc/02/35/03/818023503.db2.gz OCVWFVIFSKGECR-CLIRUNRCSA-N -1 3 272.344 3.479 20 0 CGADHM CCCC/C=C/[C@H](C)Oc1cccc(-c2nnn[n-]2)c1 ZINC001231118309 818035904 /nfs/dbraw/zinc/03/59/04/818035904.db2.gz LFEBXIKMPUZUCK-WMADIVHISA-N -1 3 272.352 3.380 20 0 CGADHM CCCC/C=C/[C@H](C)Oc1cccc(-c2nn[n-]n2)c1 ZINC001231118309 818035906 /nfs/dbraw/zinc/03/59/06/818035906.db2.gz LFEBXIKMPUZUCK-WMADIVHISA-N -1 3 272.352 3.380 20 0 CGADHM C[C@@H]1CCC[C@H](Oc2cccc(-c3nnn[n-]3)c2)[C@@H]1C ZINC001231118620 818036124 /nfs/dbraw/zinc/03/61/24/818036124.db2.gz SHADEVKCVMTCCM-GYSYKLTISA-N -1 3 272.352 3.070 20 0 CGADHM C[C@@H]1CCC[C@H](Oc2cccc(-c3nn[n-]n3)c2)[C@@H]1C ZINC001231118620 818036131 /nfs/dbraw/zinc/03/61/31/818036131.db2.gz SHADEVKCVMTCCM-GYSYKLTISA-N -1 3 272.352 3.070 20 0 CGADHM CC[C@H](C[C@@H](C)CC)Oc1cccc(-c2nnn[n-]2)c1 ZINC001231119044 818036142 /nfs/dbraw/zinc/03/61/42/818036142.db2.gz YDMOOLXYZRZRPX-WCQYABFASA-N -1 3 274.368 3.460 20 0 CGADHM CC[C@H](C[C@@H](C)CC)Oc1cccc(-c2nn[n-]n2)c1 ZINC001231119044 818036150 /nfs/dbraw/zinc/03/61/50/818036150.db2.gz YDMOOLXYZRZRPX-WCQYABFASA-N -1 3 274.368 3.460 20 0 CGADHM C[C@@H]1CCCN(Cc2ccc(F)c([O-])c2F)[C@@H]1C ZINC001232934425 818475283 /nfs/dbraw/zinc/47/52/83/818475283.db2.gz FTQOYFOLMRJQRF-NXEZZACHSA-N -1 3 255.308 3.291 20 0 CGADHM CC[C@@H]1CCCCN1Cc1cc([O-])c(F)c(F)c1 ZINC001232972934 818487630 /nfs/dbraw/zinc/48/76/30/818487630.db2.gz HGCLGYBZTXCIEY-LLVKDONJSA-N -1 3 255.308 3.435 20 0 CGADHM [O-]c1cc(CN2C[C@H]3[C@H](CCC3(F)F)C2)cc(F)c1F ZINC001232971027 818488580 /nfs/dbraw/zinc/48/85/80/818488580.db2.gz RELBVGJCNJXYRM-ZJUUUORDSA-N -1 3 289.272 3.148 20 0 CGADHM [O-]c1cc(CN2CC[C@H](c3ccccn3)C2)cc(F)c1F ZINC001232970516 818488936 /nfs/dbraw/zinc/48/89/36/818488936.db2.gz FILXMNRWFXHRBZ-LBPRGKRZSA-N -1 3 290.313 3.055 20 0 CGADHM S=C1Cc2ccc(-c3cnc(N4CCCC4)nc3)cc2[N-]1 ZINC001243313944 823341383 /nfs/dbraw/zinc/34/13/83/823341383.db2.gz DXORJHJTMSPWLA-UHFFFAOYSA-N -1 3 296.399 3.039 20 0 CGADHM [O-]c1cccc(CN2CCC[C@H]2c2ccncc2)c1F ZINC001233052274 818513059 /nfs/dbraw/zinc/51/30/59/818513059.db2.gz JZEZEDYXDJCVBT-AWEZNQCLSA-N -1 3 272.323 3.263 20 0 CGADHM CC1(C)CN(Cc2ccc([S-])cc2)CC(C)(C)O1 ZINC001233262548 818560215 /nfs/dbraw/zinc/56/02/15/818560215.db2.gz LFROKWUKOKPECK-UHFFFAOYSA-N -1 3 265.422 3.365 20 0 CGADHM C[C@]1(CF)CC(F)(F)CN1Cc1c(F)ccc([O-])c1F ZINC001233393660 818608964 /nfs/dbraw/zinc/60/89/64/818608964.db2.gz GEWACLZKDMMQPS-GFCCVEGCSA-N -1 3 295.251 3.240 20 0 CGADHM COc1ccc(CN(C)Cc2ccncc2)c(Cl)c1[O-] ZINC001233397450 818610194 /nfs/dbraw/zinc/61/01/94/818610194.db2.gz AQGHFCDGOZKRPC-UHFFFAOYSA-N -1 3 292.766 3.081 20 0 CGADHM CCCO[C@@H]1CCN(Cc2ccc(OC)c([O-])c2Cl)C1 ZINC001233399564 818610238 /nfs/dbraw/zinc/61/02/38/818610238.db2.gz BGMBTNCRJYFMDR-GFCCVEGCSA-N -1 3 299.798 3.055 20 0 CGADHM [O-]c1coc2ccc(OC[C@@H]3CCc4ccccc4O3)cc12 ZINC001233676969 818677354 /nfs/dbraw/zinc/67/73/54/818677354.db2.gz BRXJXSRYOSLIDX-AWEZNQCLSA-N -1 3 296.322 3.034 20 0 CGADHM C[C@@H]1CCC[C@H](Oc2ccc3occ([O-])c3c2)[C@@H]1C ZINC001233681015 818679088 /nfs/dbraw/zinc/67/90/88/818679088.db2.gz PYGBWWGPCXINLN-HFAKWTLXSA-N -1 3 260.333 3.465 20 0 CGADHM CCCC[C@H](CCC)Oc1cccc([O-])c1C(N)=O ZINC001234148206 818792605 /nfs/dbraw/zinc/79/26/05/818792605.db2.gz DKUZXLPQYGRJPW-NSHDSACASA-N -1 3 265.353 3.229 20 0 CGADHM CCC[C@@H](C)[C@H](CC)Oc1cccc([O-])c1C(N)=O ZINC001234153534 818793592 /nfs/dbraw/zinc/79/35/92/818793592.db2.gz OPHNPTOZKKGYJD-PWSUYJOCSA-N -1 3 265.353 3.085 20 0 CGADHM CCC[C@H](Oc1cccc([O-])c1C(N)=O)[C@@H](C)CC ZINC001234150518 818793939 /nfs/dbraw/zinc/79/39/39/818793939.db2.gz VNPNPRUADKYLAO-JQWIXIFHSA-N -1 3 265.353 3.085 20 0 CGADHM CSc1cccc(-c2ccccc2-c2nnn[n-]2)c1F ZINC001243356216 823364549 /nfs/dbraw/zinc/36/45/49/823364549.db2.gz ASUOFPFMUBCLIA-UHFFFAOYSA-N -1 3 286.335 3.395 20 0 CGADHM CSc1cccc(-c2ccccc2-c2nn[n-]n2)c1F ZINC001243356216 823364557 /nfs/dbraw/zinc/36/45/57/823364557.db2.gz ASUOFPFMUBCLIA-UHFFFAOYSA-N -1 3 286.335 3.395 20 0 CGADHM C[C@@H](Oc1nc2c(cccc2[O-])[nH]1)c1cnc2ccccn21 ZINC001234445578 818856347 /nfs/dbraw/zinc/85/63/47/818856347.db2.gz ADWVYWHLAVJRRB-SNVBAGLBSA-N -1 3 294.314 3.056 20 0 CGADHM CCC(=O)[C@H](CC)Oc1c([O-])cc(Cl)cc1F ZINC001234446566 818857880 /nfs/dbraw/zinc/85/78/80/818857880.db2.gz GNBOJLSVVPNLJI-NSHDSACASA-N -1 3 260.692 3.321 20 0 CGADHM [O-]c1cccc2[nH]c(OC[C@H]3CCc4ccccc4O3)nc21 ZINC001234449818 818859032 /nfs/dbraw/zinc/85/90/32/818859032.db2.gz RREHLFRCVMZMRU-GFCCVEGCSA-N -1 3 296.326 3.041 20 0 CGADHM CCCOC[C@H](C)Oc1nc[n-]c(=O)c1-c1ccccc1 ZINC001234691979 818916932 /nfs/dbraw/zinc/91/69/32/818916932.db2.gz LLLDCBWSOWJLCU-LBPRGKRZSA-N -1 3 288.347 3.043 20 0 CGADHM COc1cc([O-])c(C)c(OC2CCSCC2)c1C(C)=O ZINC001234790143 818924119 /nfs/dbraw/zinc/92/41/19/818924119.db2.gz DMIAJVFYMLJJRB-UHFFFAOYSA-N -1 3 296.388 3.186 20 0 CGADHM COc1cc([O-])c(C)c(O[C@H](C)C(F)(F)F)c1C(C)=O ZINC001234790348 818924258 /nfs/dbraw/zinc/92/42/58/818924258.db2.gz GPOYXEGKPIQDKA-MRVPVSSYSA-N -1 3 292.253 3.241 20 0 CGADHM COC(=O)C[C@H]1CCC[C@H](Oc2nc3sccc3[n-]2)C1 ZINC001234846986 818932058 /nfs/dbraw/zinc/93/20/58/818932058.db2.gz GCWQGUWNGIOZEQ-UWVGGRQHSA-N -1 3 294.376 3.125 20 0 CGADHM COC(=O)C[C@H]1CCC[C@H](Oc2nc3ccsc3[n-]2)C1 ZINC001234846986 818932055 /nfs/dbraw/zinc/93/20/55/818932055.db2.gz GCWQGUWNGIOZEQ-UWVGGRQHSA-N -1 3 294.376 3.125 20 0 CGADHM CC(C)C[C@@H](Oc1nc2ccsc2[n-]1)C(=O)OC(C)C ZINC001234852460 818934480 /nfs/dbraw/zinc/93/44/80/818934480.db2.gz WNOWOSQYMGEMNL-LLVKDONJSA-N -1 3 296.392 3.370 20 0 CGADHM CC[C@@H](C)[C@H](C)Oc1nc(=O)[n-]c2c1SCCC2 ZINC001234905279 818949366 /nfs/dbraw/zinc/94/93/66/818949366.db2.gz CZDHQLCGGHKIEZ-BDAKNGLRSA-N -1 3 268.382 3.034 20 0 CGADHM OCc1c(F)ccc(-c2ccc3c(c2)[N-]C(=S)C3)c1F ZINC001235896679 819206945 /nfs/dbraw/zinc/20/69/45/819206945.db2.gz LJVYAGWGJVYBET-UHFFFAOYSA-N -1 3 291.322 3.420 20 0 CGADHM Cc1nc2ccc(-c3cc([O-])cc(Cl)c3)nc2n1C ZINC001235899015 819208787 /nfs/dbraw/zinc/20/87/87/819208787.db2.gz AKDFEITYQGQLCJ-UHFFFAOYSA-N -1 3 273.723 3.303 20 0 CGADHM CCN(CC)c1cncc(-c2cc([O-])cc(Cl)c2)n1 ZINC001235899804 819209336 /nfs/dbraw/zinc/20/93/36/819209336.db2.gz UKVHYMNATSVPLM-UHFFFAOYSA-N -1 3 277.755 3.349 20 0 CGADHM Cc1cc2cnc(-c3cc([O-])cc(Cl)c3)nc2[nH]1 ZINC001235900568 819210952 /nfs/dbraw/zinc/21/09/52/819210952.db2.gz PFIVMTNTQHFLPP-UHFFFAOYSA-N -1 3 259.696 3.244 20 0 CGADHM [O-]c1cc(Cl)cc(-c2ncnc3scnc32)c1 ZINC001235901448 819211947 /nfs/dbraw/zinc/21/19/47/819211947.db2.gz UXIFWJBWBNUQPH-UHFFFAOYSA-N -1 3 263.709 3.112 20 0 CGADHM Oc1cc(Cl)cc(-c2cc(F)cc(-c3nn[n-]n3)c2)c1 ZINC001235909723 819218839 /nfs/dbraw/zinc/21/88/39/819218839.db2.gz TVSNWQHKAQFZNK-UHFFFAOYSA-N -1 3 290.685 3.032 20 0 CGADHM CN(C)/C=C/c1ccncc1-c1c(F)cc(F)c([O-])c1F ZINC001235999946 819267716 /nfs/dbraw/zinc/26/77/16/819267716.db2.gz CBUGFCHASKKQMS-GQCTYLIASA-N -1 3 294.276 3.404 20 0 CGADHM COc1cc(C)cc(F)c1-c1ccc(-c2nnn[n-]2)cc1C ZINC001236234925 819395250 /nfs/dbraw/zinc/39/52/50/819395250.db2.gz PPRQXUNKHKUXBO-UHFFFAOYSA-N -1 3 298.321 3.298 20 0 CGADHM COc1cc(C)cc(F)c1-c1ccc(-c2nn[n-]n2)cc1C ZINC001236234925 819395257 /nfs/dbraw/zinc/39/52/57/819395257.db2.gz PPRQXUNKHKUXBO-UHFFFAOYSA-N -1 3 298.321 3.298 20 0 CGADHM Cc1ccc(F)c(-c2cccn(C(C)C)c2=O)c1[O-] ZINC001236414395 819460079 /nfs/dbraw/zinc/46/00/79/819460079.db2.gz KEDJCNSIFZEMQD-UHFFFAOYSA-N -1 3 261.296 3.249 20 0 CGADHM Cc1cc(-c2nnn[n-]2)ccc1-c1ccnc(OC(C)C)c1 ZINC001236569227 819538197 /nfs/dbraw/zinc/53/81/97/819538197.db2.gz AZCDBKKYCQWHKM-UHFFFAOYSA-N -1 3 295.346 3.024 20 0 CGADHM Cc1cc(-c2nn[n-]n2)ccc1-c1ccnc(OC(C)C)c1 ZINC001236569227 819538201 /nfs/dbraw/zinc/53/82/01/819538201.db2.gz AZCDBKKYCQWHKM-UHFFFAOYSA-N -1 3 295.346 3.024 20 0 CGADHM CC(=O)c1ccc2c(c1)CN(Cc1ccc(F)c([O-])c1)CC2 ZINC001236706901 819576742 /nfs/dbraw/zinc/57/67/42/819576742.db2.gz AWHSIRRWZBNESS-UHFFFAOYSA-N -1 3 299.345 3.292 20 0 CGADHM [O-]c1cc(CN2Cc3cnc(Cl)cc3C2)ccc1F ZINC001236715305 819580724 /nfs/dbraw/zinc/58/07/24/819580724.db2.gz XCBDPFKVEIVVGZ-UHFFFAOYSA-N -1 3 278.714 3.096 20 0 CGADHM O=c1[n-]c(Cl)c(CN2CCC[C@@H]2c2cccnc2)s1 ZINC001237162614 819686239 /nfs/dbraw/zinc/68/62/39/819686239.db2.gz WNILYNXMIBYREJ-SNVBAGLBSA-N -1 3 295.795 3.234 20 0 CGADHM O=c1[n-]c(Cl)c(CN2CCC[C@H]2c2cccnc2)s1 ZINC001237162611 819686530 /nfs/dbraw/zinc/68/65/30/819686530.db2.gz WNILYNXMIBYREJ-JTQLQIEISA-N -1 3 295.795 3.234 20 0 CGADHM [O-]c1cccc(-c2ncnc3cccc(F)c32)c1F ZINC001243541100 823435811 /nfs/dbraw/zinc/43/58/11/823435811.db2.gz DKTSDOCNUSOVMR-UHFFFAOYSA-N -1 3 258.227 3.281 20 0 CGADHM CSc1ncc2c(ccnc2-c2cccc([O-])c2F)n1 ZINC001243543656 823436740 /nfs/dbraw/zinc/43/67/40/823436740.db2.gz HSPPKAMNBPFJIC-UHFFFAOYSA-N -1 3 287.319 3.258 20 0 CGADHM CC(C)S(=O)(=O)c1ccccc1-c1cccc([O-])c1F ZINC001243545080 823437103 /nfs/dbraw/zinc/43/71/03/823437103.db2.gz QEYZDLZNXHADTR-UHFFFAOYSA-N -1 3 294.347 3.380 20 0 CGADHM CC1(C)C(=O)Nc2cccc(-c3cccc([O-])c3F)c21 ZINC001243545385 823437916 /nfs/dbraw/zinc/43/79/16/823437916.db2.gz HSSGWKFIFBAIMR-UHFFFAOYSA-N -1 3 271.291 3.428 20 0 CGADHM COc1cc(F)c(F)cc1-c1cccc([O-])c1F ZINC001243545101 823437940 /nfs/dbraw/zinc/43/79/40/823437940.db2.gz RFTPXJTUSXLGTL-UHFFFAOYSA-N -1 3 254.207 3.485 20 0 CGADHM CCOC(=O)c1ccc(OC)cc1-c1cccc([O-])c1F ZINC001243545876 823438006 /nfs/dbraw/zinc/43/80/06/823438006.db2.gz QNGBTYZIVQULQP-UHFFFAOYSA-N -1 3 290.290 3.384 20 0 CGADHM COC(=O)c1cc(-c2cccc([O-])c2F)ccc1C ZINC001243546424 823438800 /nfs/dbraw/zinc/43/88/00/823438800.db2.gz MRZYOXGNPRZKGO-UHFFFAOYSA-N -1 3 260.264 3.293 20 0 CGADHM COc1ccc(-c2cccc([O-])c2F)cc1NC(C)=O ZINC001243545980 823438944 /nfs/dbraw/zinc/43/89/44/823438944.db2.gz SQOQJYNACPJKST-UHFFFAOYSA-N -1 3 275.279 3.165 20 0 CGADHM O=C([O-])c1cc(F)ccc1CN1CCC[C@H](C(F)F)C1 ZINC001238237099 819966977 /nfs/dbraw/zinc/96/69/77/819966977.db2.gz UMJXZKQYXONKLJ-JTQLQIEISA-N -1 3 287.281 3.001 20 0 CGADHM COc1ccc(-c2nnn[n-]2)cc1-c1coc2ccccc12 ZINC001239063783 820209804 /nfs/dbraw/zinc/20/98/04/820209804.db2.gz FMRTXONUAUJNRW-UHFFFAOYSA-N -1 3 292.298 3.289 20 0 CGADHM COc1ccc(-c2nn[n-]n2)cc1-c1coc2ccccc12 ZINC001239063783 820209807 /nfs/dbraw/zinc/20/98/07/820209807.db2.gz FMRTXONUAUJNRW-UHFFFAOYSA-N -1 3 292.298 3.289 20 0 CGADHM COc1ccc(-c2nnn[n-]2)cc1-c1ccc2[nH]ccc2c1 ZINC001239696601 820528333 /nfs/dbraw/zinc/52/83/33/820528333.db2.gz XKDSMGJZTIPQLA-UHFFFAOYSA-N -1 3 291.314 3.024 20 0 CGADHM COc1ccc(-c2nn[n-]n2)cc1-c1ccc2[nH]ccc2c1 ZINC001239696601 820528337 /nfs/dbraw/zinc/52/83/37/820528337.db2.gz XKDSMGJZTIPQLA-UHFFFAOYSA-N -1 3 291.314 3.024 20 0 CGADHM Fc1cc(-c2nnn[n-]2)cc(-c2cnc3ccccc3c2)c1 ZINC001239794346 820609025 /nfs/dbraw/zinc/60/90/25/820609025.db2.gz BITSENDCZFYCKG-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Fc1cc(-c2nn[n-]n2)cc(-c2cnc3ccccc3c2)c1 ZINC001239794346 820609031 /nfs/dbraw/zinc/60/90/31/820609031.db2.gz BITSENDCZFYCKG-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Cc1ccc(-c2ccc(Cc3nnn[n-]3)cc2)c(Cl)c1 ZINC001239863142 820669528 /nfs/dbraw/zinc/66/95/28/820669528.db2.gz BPWJTLZBKKUHDV-UHFFFAOYSA-N -1 3 284.750 3.419 20 0 CGADHM Cc1ccc(-c2ccc(Cc3nn[n-]n3)cc2)c(Cl)c1 ZINC001239863142 820669531 /nfs/dbraw/zinc/66/95/31/820669531.db2.gz BPWJTLZBKKUHDV-UHFFFAOYSA-N -1 3 284.750 3.419 20 0 CGADHM Cn1nc(C(F)(F)F)cc1-c1ccc2c(c1)[N-]C(=S)C2 ZINC001240291745 820941155 /nfs/dbraw/zinc/94/11/55/820941155.db2.gz OFFSFFWWPAEWML-UHFFFAOYSA-N -1 3 297.305 3.401 20 0 CGADHM c1nc2ccc(-c3ccccc3-c3nnn[n-]3)cc2s1 ZINC001240342534 820979905 /nfs/dbraw/zinc/97/99/05/820979905.db2.gz ABMBJFKQJKINNR-UHFFFAOYSA-N -1 3 279.328 3.143 20 0 CGADHM c1nc2ccc(-c3ccccc3-c3nn[n-]n3)cc2s1 ZINC001240342534 820979910 /nfs/dbraw/zinc/97/99/10/820979910.db2.gz ABMBJFKQJKINNR-UHFFFAOYSA-N -1 3 279.328 3.143 20 0 CGADHM Cc1ccc(-c2ccc3ncsc3c2)cc1-c1nnn[n-]1 ZINC001240346944 820981856 /nfs/dbraw/zinc/98/18/56/820981856.db2.gz AIULZKBEDHXIHA-UHFFFAOYSA-N -1 3 293.355 3.452 20 0 CGADHM Cc1ccc(-c2ccc3ncsc3c2)cc1-c1nn[n-]n1 ZINC001240346944 820981860 /nfs/dbraw/zinc/98/18/60/820981860.db2.gz AIULZKBEDHXIHA-UHFFFAOYSA-N -1 3 293.355 3.452 20 0 CGADHM Cc1cc2cc(-c3ccc(C)c(-c4nnn[n-]4)c3)cnc2[nH]1 ZINC001240488450 821084294 /nfs/dbraw/zinc/08/42/94/821084294.db2.gz BGCKAEZHZPAMAE-UHFFFAOYSA-N -1 3 290.330 3.027 20 0 CGADHM Cc1cc2cc(-c3ccc(C)c(-c4nn[n-]n4)c3)cnc2[nH]1 ZINC001240488450 821084303 /nfs/dbraw/zinc/08/43/03/821084303.db2.gz BGCKAEZHZPAMAE-UHFFFAOYSA-N -1 3 290.330 3.027 20 0 CGADHM O=c1c(-c2cc(F)ccc2[O-])cccn1-c1ccccc1 ZINC001240697372 821253414 /nfs/dbraw/zinc/25/34/14/821253414.db2.gz GQNGRAZPKRSSCT-UHFFFAOYSA-N -1 3 281.286 3.349 20 0 CGADHM c1cc2c(cccc2-c2cccc(-c3nnn[n-]3)c2)[nH]1 ZINC001240713003 821267837 /nfs/dbraw/zinc/26/78/37/821267837.db2.gz MNEPKLFKCAXLLP-UHFFFAOYSA-N -1 3 261.288 3.015 20 0 CGADHM c1cc2c(cccc2-c2cccc(-c3nn[n-]n3)c2)[nH]1 ZINC001240713003 821267845 /nfs/dbraw/zinc/26/78/45/821267845.db2.gz MNEPKLFKCAXLLP-UHFFFAOYSA-N -1 3 261.288 3.015 20 0 CGADHM Fc1cc(-c2nnn[n-]2)cc(-c2cccc3[nH]ccc32)c1 ZINC001240714764 821270167 /nfs/dbraw/zinc/27/01/67/821270167.db2.gz YJVLUTJBXNEYRS-UHFFFAOYSA-N -1 3 279.278 3.154 20 0 CGADHM Fc1cc(-c2nn[n-]n2)cc(-c2cccc3[nH]ccc32)c1 ZINC001240714764 821270173 /nfs/dbraw/zinc/27/01/73/821270173.db2.gz YJVLUTJBXNEYRS-UHFFFAOYSA-N -1 3 279.278 3.154 20 0 CGADHM Fc1ccc(-c2ccc3cc[nH]c3c2)cc1-c1nnn[n-]1 ZINC001240798228 821342118 /nfs/dbraw/zinc/34/21/18/821342118.db2.gz NAWHUTUPIZPKMV-UHFFFAOYSA-N -1 3 279.278 3.154 20 0 CGADHM Fc1ccc(-c2ccc3cc[nH]c3c2)cc1-c1nn[n-]n1 ZINC001240798228 821342126 /nfs/dbraw/zinc/34/21/26/821342126.db2.gz NAWHUTUPIZPKMV-UHFFFAOYSA-N -1 3 279.278 3.154 20 0 CGADHM COc1c(F)cc(F)cc1-c1ccc([O-])c(F)c1 ZINC001240785577 821325243 /nfs/dbraw/zinc/32/52/43/821325243.db2.gz GRBMCISLCBIQPT-UHFFFAOYSA-N -1 3 254.207 3.485 20 0 CGADHM C[C@H]1C(=O)Nc2ccc(-c3ccc([O-])c(F)c3)cc21 ZINC001240785794 821325852 /nfs/dbraw/zinc/32/58/52/821325852.db2.gz OKYGMNUEVSJKIR-MRVPVSSYSA-N -1 3 257.264 3.254 20 0 CGADHM COC(=O)c1c(F)cccc1-c1ccc([O-])c(F)c1 ZINC001240787511 821328355 /nfs/dbraw/zinc/32/83/55/821328355.db2.gz IQQLOAIMULBGSB-UHFFFAOYSA-N -1 3 264.227 3.124 20 0 CGADHM COc1ccc2nccc(-c3ccc([O-])c(F)c3)c2n1 ZINC001240787226 821328635 /nfs/dbraw/zinc/32/86/35/821328635.db2.gz RYVIISVMNVKCOG-UHFFFAOYSA-N -1 3 270.263 3.150 20 0 CGADHM CC1(C)Cc2ccc(-c3ccc([O-])c(F)c3)cc2C(=O)N1 ZINC001240788106 821330912 /nfs/dbraw/zinc/33/09/12/821330912.db2.gz BUMBQVVIQXNLIZ-UHFFFAOYSA-N -1 3 285.318 3.263 20 0 CGADHM Cc1ccc(F)cc1-c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001240923505 821418552 /nfs/dbraw/zinc/41/85/52/821418552.db2.gz ZUQDMDIVGJCALW-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM Cc1ccc(F)cc1-c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001240923505 821418554 /nfs/dbraw/zinc/41/85/54/821418554.db2.gz ZUQDMDIVGJCALW-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM CC(C)(C)OC(=O)Nc1cc(-c2ccccc2[O-])ncn1 ZINC001241002152 821481056 /nfs/dbraw/zinc/48/10/56/821481056.db2.gz SYTRGFKQWBYHRT-UHFFFAOYSA-N -1 3 287.319 3.196 20 0 CGADHM CCOC(=O)c1ccc(OCC)nc1-c1ccccc1[O-] ZINC001241003191 821482287 /nfs/dbraw/zinc/48/22/87/821482287.db2.gz KNINUXZFRZSGAN-UHFFFAOYSA-N -1 3 287.315 3.030 20 0 CGADHM [O-]c1ccccc1-c1cccc(COCC2CC2)n1 ZINC001241007941 821485501 /nfs/dbraw/zinc/48/55/01/821485501.db2.gz CJQGSDSVIBOHHU-UHFFFAOYSA-N -1 3 255.317 3.381 20 0 CGADHM Cc1ccc(-c2ccc(NC(=O)C(C)(C)C)nn2)c([O-])c1 ZINC001241031084 821506396 /nfs/dbraw/zinc/50/63/96/821506396.db2.gz XUCBCTUAJZKXFY-UHFFFAOYSA-N -1 3 285.347 3.142 20 0 CGADHM Cc1ccc(-c2ccc(-c3cccnc3)nn2)c([O-])c1 ZINC001241036554 821511629 /nfs/dbraw/zinc/51/16/29/821511629.db2.gz ZSHVRHUIKXJBHI-UHFFFAOYSA-N -1 3 263.300 3.220 20 0 CGADHM COc1cc(C)c(-c2cccc(-c3nnn[n-]3)c2)cc1C ZINC001241135940 821590635 /nfs/dbraw/zinc/59/06/35/821590635.db2.gz CJLPQMCQVLVYDC-UHFFFAOYSA-N -1 3 280.331 3.159 20 0 CGADHM COc1cc(C)c(-c2cccc(-c3nn[n-]n3)c2)cc1C ZINC001241135940 821590641 /nfs/dbraw/zinc/59/06/41/821590641.db2.gz CJLPQMCQVLVYDC-UHFFFAOYSA-N -1 3 280.331 3.159 20 0 CGADHM Nc1ccnc2cc(-c3ccc(F)c(C(=O)[O-])c3)ccc12 ZINC001241247448 821669056 /nfs/dbraw/zinc/66/90/56/821669056.db2.gz VAQCEYKIKOVWPD-UHFFFAOYSA-N -1 3 282.274 3.321 20 0 CGADHM CCOc1cccc(-c2ccc(-c3nnn[n-]3)cc2)c1F ZINC001241264279 821683801 /nfs/dbraw/zinc/68/38/01/821683801.db2.gz IOAZZORDEKYJLJ-UHFFFAOYSA-N -1 3 284.294 3.072 20 0 CGADHM CCOc1cccc(-c2ccc(-c3nn[n-]n3)cc2)c1F ZINC001241264279 821683806 /nfs/dbraw/zinc/68/38/06/821683806.db2.gz IOAZZORDEKYJLJ-UHFFFAOYSA-N -1 3 284.294 3.072 20 0 CGADHM CC(=O)N1CCCc2ccc(-c3cc([O-])cc(F)c3)cc21 ZINC001241265993 821685561 /nfs/dbraw/zinc/68/55/61/821685561.db2.gz AWEFBHBJSAWEED-UHFFFAOYSA-N -1 3 285.318 3.497 20 0 CGADHM COC(=O)c1c[nH]c2ccc(-c3cc([O-])cc(F)c3)cc21 ZINC001241271826 821690306 /nfs/dbraw/zinc/69/03/06/821690306.db2.gz KZAICMLZASUYJD-UHFFFAOYSA-N -1 3 285.274 3.466 20 0 CGADHM COc1ccc(-c2cc([O-])cc(F)c2)c(F)c1F ZINC001241272097 821691481 /nfs/dbraw/zinc/69/14/81/821691481.db2.gz NCAJZCSKJOAKCQ-UHFFFAOYSA-N -1 3 254.207 3.485 20 0 CGADHM CC1(C)NC(=O)Cc2c(-c3cc([O-])cc(F)c3)cccc21 ZINC001241280058 821698753 /nfs/dbraw/zinc/69/87/53/821698753.db2.gz AOXGNFLACNHSES-UHFFFAOYSA-N -1 3 285.318 3.106 20 0 CGADHM CN1Cc2c(cccc2-c2c(F)ccc([O-])c2F)NC1=O ZINC001241294231 821712034 /nfs/dbraw/zinc/71/20/34/821712034.db2.gz NYGGKEWQMQYXSL-UHFFFAOYSA-N -1 3 290.269 3.315 20 0 CGADHM CC(C)COc1ncc(-c2c(F)ccc([O-])c2F)cn1 ZINC001241294074 821712105 /nfs/dbraw/zinc/71/21/05/821712105.db2.gz KACUZCNHPUFXSZ-UHFFFAOYSA-N -1 3 280.274 3.162 20 0 CGADHM O=c1ccc(-c2c(F)ccc([O-])c2F)cn1CC1CCC1 ZINC001241294457 821712970 /nfs/dbraw/zinc/71/29/70/821712970.db2.gz XIXMZCXGKFMVEN-UHFFFAOYSA-N -1 3 291.297 3.299 20 0 CGADHM COC(=O)c1c(OC)cccc1-c1c(F)ccc([O-])c1F ZINC001241294259 821713113 /nfs/dbraw/zinc/71/31/13/821713113.db2.gz YVVBNNJKNINVDW-UHFFFAOYSA-N -1 3 294.253 3.133 20 0 CGADHM C=Cc1ccccc1-c1ccc(C)c(-c2nnn[n-]2)c1 ZINC001242014344 822279445 /nfs/dbraw/zinc/27/94/45/822279445.db2.gz MXKKUSUKUDFXTI-UHFFFAOYSA-N -1 3 262.316 3.485 20 0 CGADHM C=Cc1ccccc1-c1ccc(C)c(-c2nn[n-]n2)c1 ZINC001242014344 822279456 /nfs/dbraw/zinc/27/94/56/822279456.db2.gz MXKKUSUKUDFXTI-UHFFFAOYSA-N -1 3 262.316 3.485 20 0 CGADHM C[S@](=N)(=O)c1ccc(-c2ccc(F)cc2[O-])cc1 ZINC001242218421 822915192 /nfs/dbraw/zinc/91/51/92/822915192.db2.gz DKTMMWMBGIFBMR-SFHVURJKSA-N -1 3 265.309 3.234 20 0 CGADHM Fc1ccc(-c2cccc(Cl)c2)cc1-c1nnn[n-]1 ZINC001242146212 822893547 /nfs/dbraw/zinc/89/35/47/822893547.db2.gz HRRMOKICEBLGPW-UHFFFAOYSA-N -1 3 274.686 3.326 20 0 CGADHM Fc1ccc(-c2cccc(Cl)c2)cc1-c1nn[n-]n1 ZINC001242146212 822893551 /nfs/dbraw/zinc/89/35/51/822893551.db2.gz HRRMOKICEBLGPW-UHFFFAOYSA-N -1 3 274.686 3.326 20 0 CGADHM CC(C)S(=O)(=O)c1ccc(-c2ccc(F)cc2[O-])cc1 ZINC001242218971 822915681 /nfs/dbraw/zinc/91/56/81/822915681.db2.gz FXAAPROHJMCIIQ-UHFFFAOYSA-N -1 3 294.347 3.380 20 0 CGADHM NC(=O)c1cc2cc(-c3ccc(F)cc3[O-])ccc2o1 ZINC001242218600 822915811 /nfs/dbraw/zinc/91/58/11/822915811.db2.gz GSCLDZWSZZZJGV-UHFFFAOYSA-N -1 3 271.247 3.043 20 0 CGADHM COc1cc(SC)c(-c2ccc(F)cc2[O-])cn1 ZINC001242219553 822916277 /nfs/dbraw/zinc/91/62/77/822916277.db2.gz KKYISQIASIAXPM-UHFFFAOYSA-N -1 3 265.309 3.324 20 0 CGADHM CCOC(=O)c1cccc(-c2ccc(F)cc2[O-])c1 ZINC001242221900 822917359 /nfs/dbraw/zinc/91/73/59/822917359.db2.gz YYGPUIKOPWFPJV-UHFFFAOYSA-N -1 3 260.264 3.375 20 0 CGADHM O=C1OCc2cc(-c3ccc(F)cc3[O-])cc(F)c21 ZINC001242221453 822917388 /nfs/dbraw/zinc/91/73/88/822917388.db2.gz LPAVMILZYXAJRY-UHFFFAOYSA-N -1 3 262.211 3.008 20 0 CGADHM CCn1nnc2c1ccc(-c1ccc(F)cc1[O-])c2C ZINC001242222010 822917539 /nfs/dbraw/zinc/91/75/39/822917539.db2.gz RBHWSQVJSASUMT-UHFFFAOYSA-N -1 3 271.295 3.271 20 0 CGADHM COC(=O)CCc1ccccc1-c1cccc(F)c1[O-] ZINC001242350753 822961044 /nfs/dbraw/zinc/96/10/44/822961044.db2.gz KDBLZTNNNOGSQX-UHFFFAOYSA-N -1 3 274.291 3.304 20 0 CGADHM CCOC(=O)c1cnc(C)c(-c2cccc(F)c2[O-])c1 ZINC001242351987 822961737 /nfs/dbraw/zinc/96/17/37/822961737.db2.gz GJXFBCOAVAQLEU-UHFFFAOYSA-N -1 3 275.279 3.078 20 0 CGADHM [O-]c1c(F)cccc1-c1ccc2[nH]c(=S)[nH]c2c1 ZINC001242351907 822961783 /nfs/dbraw/zinc/96/17/83/822961783.db2.gz AOPFKSDNZWKLEW-UHFFFAOYSA-N -1 3 260.293 3.363 20 0 CGADHM [O-]c1c(F)cccc1-c1ccc(OC(F)(F)F)nc1 ZINC001242352577 822962832 /nfs/dbraw/zinc/96/28/32/822962832.db2.gz ZKYMRXUMJKLSBQ-UHFFFAOYSA-N -1 3 273.185 3.492 20 0 CGADHM [O-]c1c(F)cccc1-c1ccc2c(c1)NC(=S)C2 ZINC001242354308 822963273 /nfs/dbraw/zinc/96/32/73/822963273.db2.gz XTXPXLIKESZASO-UHFFFAOYSA-N -1 3 259.305 3.494 20 0 CGADHM O=C(O[C@H]1CCSC1)c1cccc2[n-]c(C(F)F)nc21 ZINC001344023819 936523082 /nfs/dbraw/zinc/52/30/82/936523082.db2.gz UOIBAOMNBKMADU-ZETCQYMHSA-N -1 3 298.314 3.163 20 0 CGADHM C[C@@H]1CC[C@H](NC(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000356047440 927951072 /nfs/dbraw/zinc/95/10/72/927951072.db2.gz GITHVDCJIDGJNG-RISCZKNCSA-N -1 3 269.344 3.464 20 0 CGADHM [O-]c1ccc(CN2CCC[C@@]3(CCSC3)C2)c(F)c1F ZINC001308814926 928545986 /nfs/dbraw/zinc/54/59/86/928545986.db2.gz CJLWRUYMZRHTTP-OAHLLOKOSA-N -1 3 299.386 3.390 20 0 CGADHM CC(C)(F)c1cc([N-]C(=O)c2ccoc2Cl)no1 ZINC001440290678 937328528 /nfs/dbraw/zinc/32/85/28/937328528.db2.gz GPRVMOQAFZLWNP-UHFFFAOYSA-N -1 3 272.663 3.378 20 0 CGADHM CCC[C@H](NC(=O)c1cc2c(cc1[O-])OCO2)C(C)(C)C ZINC001449794282 937381770 /nfs/dbraw/zinc/38/17/70/937381770.db2.gz VQIJCAWJWITRSA-AWEZNQCLSA-N -1 3 293.363 3.066 20 0 CGADHM CC[C@H](CNc1ccccc1)NC(=O)c1c(C)cccc1[O-] ZINC001457817541 937446567 /nfs/dbraw/zinc/44/65/67/937446567.db2.gz XFXIBNMJORBVEL-CQSZACIVSA-N -1 3 298.386 3.321 20 0 CGADHM C[C@@H](N[C@@H](C)Cc1cccs1)c1ncc(C(=O)[O-])s1 ZINC000315006559 932028652 /nfs/dbraw/zinc/02/86/52/932028652.db2.gz RUMYSJFFAOXMML-DTWKUNHWSA-N -1 3 296.417 3.185 20 0 CGADHM C[C@@H](Oc1ncc(Br)cc1[O-])c1ccco1 ZINC001228954584 932058845 /nfs/dbraw/zinc/05/88/45/932058845.db2.gz FLNQLHYPHRCWSM-SSDOTTSWSA-N -1 3 284.109 3.283 20 0 CGADHM C[C@@H](Oc1ncc(Br)cc1[O-])c1cccnc1 ZINC001228952864 932059094 /nfs/dbraw/zinc/05/90/94/932059094.db2.gz MBPJITUGVPRZEF-MRVPVSSYSA-N -1 3 295.136 3.085 20 0 CGADHM CC(=O)c1cc(C(C)C)c([O-])cc1O[C@H]1COC[C@@H]1C ZINC001228958962 932059934 /nfs/dbraw/zinc/05/99/34/932059934.db2.gz PGSIFCFDSOGGSZ-QFYYESIMSA-N -1 3 278.348 3.132 20 0 CGADHM CC[C@@H](Oc1cc([O-])c(C(C)C)cc1C(C)=O)C(=O)OC ZINC001228959972 932060418 /nfs/dbraw/zinc/06/04/18/932060418.db2.gz RNPVWHDEBOHPLL-CQSZACIVSA-N -1 3 294.347 3.049 20 0 CGADHM Cc1csc2[n-]c(=S)nc(OC3CCC(=O)CC3)c12 ZINC001229354569 932138267 /nfs/dbraw/zinc/13/82/67/932138267.db2.gz ZRBSSSMEYIVISM-UHFFFAOYSA-N -1 3 294.401 3.179 20 0 CGADHM Cc1cccc2c1CC[C@H]2Oc1nc(C)[n-]c(=O)c1C ZINC001229683512 932188716 /nfs/dbraw/zinc/18/87/16/932188716.db2.gz HGTKWVCKTJHMTM-CQSZACIVSA-N -1 3 270.332 3.174 20 0 CGADHM Cc1ccc([C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001231077847 932674667 /nfs/dbraw/zinc/67/46/67/932674667.db2.gz XEFBKZOKLPPANH-GFCCVEGCSA-N -1 3 280.331 3.315 20 0 CGADHM Cc1cccc(C(=O)Nc2cnc3[nH]ccc3c2C)c1[O-] ZINC001303974772 932839583 /nfs/dbraw/zinc/83/95/83/932839583.db2.gz MXGRPTIBNUNDKX-UHFFFAOYSA-N -1 3 281.315 3.089 20 0 CGADHM [O-]c1ccc(F)c(CNCc2nc3ccccc3o2)c1F ZINC001462610774 937653452 /nfs/dbraw/zinc/65/34/52/937653452.db2.gz ZDGCZCZCSXMLEG-UHFFFAOYSA-N -1 3 290.269 3.101 20 0 CGADHM [O-]c1ccc(CN[C@H](c2ccncc2)C2CC2)c(F)c1F ZINC001308971465 933217232 /nfs/dbraw/zinc/21/72/32/933217232.db2.gz GNBNZOPNMFGNSN-INIZCTEOSA-N -1 3 290.313 3.306 20 0 CGADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1ccc2sccc2c1 ZINC001309988670 933249094 /nfs/dbraw/zinc/24/90/94/933249094.db2.gz SFDJHXZUQYPVPR-CYBMUJFWSA-N -1 3 292.360 3.481 20 0 CGADHM O=C([N-]O[C@@H]1CCCCO1)Nc1ccc2sccc2c1 ZINC001309988670 933249096 /nfs/dbraw/zinc/24/90/96/933249096.db2.gz SFDJHXZUQYPVPR-CYBMUJFWSA-N -1 3 292.360 3.481 20 0 CGADHM CC[C@H]1CCC[C@]1(C)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC001464609537 937693424 /nfs/dbraw/zinc/69/34/24/937693424.db2.gz HFTHPOPBMZCVGQ-LRDDRELGSA-N -1 3 299.378 3.022 20 0 CGADHM CC[C@H]1CCC[C@]1(C)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001464609537 937693425 /nfs/dbraw/zinc/69/34/25/937693425.db2.gz HFTHPOPBMZCVGQ-LRDDRELGSA-N -1 3 299.378 3.022 20 0 CGADHM CCOc1cccc(CCNC(=O)c2ccc(C)cc2[O-])c1 ZINC001466185074 937706991 /nfs/dbraw/zinc/70/69/91/937706991.db2.gz YRXJHEREEOQBAA-UHFFFAOYSA-N -1 3 299.370 3.072 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2c(F)ccc3ccncc32)n1 ZINC001467592674 937719439 /nfs/dbraw/zinc/71/94/39/937719439.db2.gz NFQMDEABYUBYDM-UHFFFAOYSA-N -1 3 297.289 3.035 20 0 CGADHM Cc1cccc([O-])c1C(=O)N[C@@H]1C[C@H]1c1cccc(F)c1 ZINC001467651276 937720574 /nfs/dbraw/zinc/72/05/74/937720574.db2.gz CKFHPHVEHXOLCW-UONOGXRCSA-N -1 3 285.318 3.126 20 0 CGADHM CC(C)(C)O[N-]C(=O)C[C@@H]1CCc2ccccc2C1 ZINC001320338501 934034038 /nfs/dbraw/zinc/03/40/38/934034038.db2.gz SCISHKVYPNSXTI-GFCCVEGCSA-N -1 3 261.365 3.028 20 0 CGADHM C[C@@H](CCCC(=O)[O-])NCc1csc(C(C)(C)C)n1 ZINC001320734006 934095511 /nfs/dbraw/zinc/09/55/11/934095511.db2.gz XWDIGYHLGNWUGF-JTQLQIEISA-N -1 3 284.425 3.174 20 0 CGADHM CSc1cccnc1NC(=O)c1cc([O-])ccc1Cl ZINC001469787201 937743972 /nfs/dbraw/zinc/74/39/72/937743972.db2.gz KDWQHFCPACHJKG-UHFFFAOYSA-N -1 3 294.763 3.415 20 0 CGADHM C[C@@H]1CC[C@H]1NC(=O)c1cc2sccc2c([O-])c1 ZINC001322790700 934336728 /nfs/dbraw/zinc/33/67/28/934336728.db2.gz XLZQTCNAYLVTHJ-LDYMZIIASA-N -1 3 261.346 3.135 20 0 CGADHM O=C(Nc1ccc2occc2c1)c1cc(=O)[n-]c(C2CC2)n1 ZINC001471165889 937761960 /nfs/dbraw/zinc/76/19/60/937761960.db2.gz YJCJSDRKZRNOIO-UHFFFAOYSA-N -1 3 295.298 3.058 20 0 CGADHM Cc1ccc(C(=O)N[C@@H]2c3ccccc3CC[C@H]2F)c([O-])c1 ZINC001471501620 937766382 /nfs/dbraw/zinc/76/63/82/937766382.db2.gz AANJBDQACGRJKI-NVXWUHKLSA-N -1 3 299.345 3.456 20 0 CGADHM O=C(COC(=O)c1cccc(Cl)c1[O-])c1cccs1 ZINC001323456201 934399950 /nfs/dbraw/zinc/39/99/50/934399950.db2.gz JTKYIFMYMBWSBF-UHFFFAOYSA-N -1 3 296.731 3.147 20 0 CGADHM O=C([N-]c1nc(-c2ccccc2)no1)c1occ2c1CCC2 ZINC001472502175 937776901 /nfs/dbraw/zinc/77/69/01/937776901.db2.gz PTWJEARDTCATSN-UHFFFAOYSA-N -1 3 295.298 3.071 20 0 CGADHM CC(C)(C)O[N-]C(=O)CCc1ccc(F)c2c1CCCC2 ZINC001472531922 937777019 /nfs/dbraw/zinc/77/70/19/937777019.db2.gz BAEKIPRPRDWXBS-UHFFFAOYSA-N -1 3 293.382 3.483 20 0 CGADHM Cc1cc(C(=O)Nc2nc(C)ccc2[O-])c(C)n1CC1CC1 ZINC001325298117 934902549 /nfs/dbraw/zinc/90/25/49/934902549.db2.gz AFMLGWWXOMPUBX-UHFFFAOYSA-N -1 3 299.374 3.176 20 0 CGADHM CCc1ccc(C(=O)N(C)[C@@H]2CC[C@H](SC)C2)c([O-])c1 ZINC001326159434 934954312 /nfs/dbraw/zinc/95/43/12/934954312.db2.gz AKNZDHWQHLCNGU-OLZOCXBDSA-N -1 3 293.432 3.311 20 0 CGADHM CO[C@H](COC(=O)c1cc2occc2[n-]1)C1CCCC1 ZINC001329449899 935217232 /nfs/dbraw/zinc/21/72/32/935217232.db2.gz MQHGDNUDFXHRHV-CQSZACIVSA-N -1 3 277.320 3.123 20 0 CGADHM CC(C)(C)O[N-]C(=O)[C@@H]1CCN(c2ccccc2Cl)C1 ZINC001329997688 935260168 /nfs/dbraw/zinc/26/01/68/935260168.db2.gz BITGOOKVIJRMTR-LLVKDONJSA-N -1 3 296.798 3.013 20 0 CGADHM Cc1ccccc1OCCOc1ccc2c([O-])coc2c1 ZINC001333803813 936067298 /nfs/dbraw/zinc/06/72/98/936067298.db2.gz HGIPXPFIGWTVPN-UHFFFAOYSA-N -1 3 284.311 3.028 20 0 CGADHM CC(C)(C)c1coc(CN[C@@H]2CCCC[C@@H]2CC(=O)[O-])n1 ZINC001334841714 936118318 /nfs/dbraw/zinc/11/83/18/936118318.db2.gz PYTNXZMFFSKAMI-VXGBXAGGSA-N -1 3 294.395 3.095 20 0 CGADHM Cc1ccnc(SCc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC001335136908 936131219 /nfs/dbraw/zinc/13/12/19/936131219.db2.gz FYTPTTONUKEXOF-UHFFFAOYSA-N -1 3 273.361 3.055 20 0 CGADHM CC[C@H]1CCCC[C@H]1C[N-]S(=O)(=O)c1ccc(C)o1 ZINC001475347768 937883077 /nfs/dbraw/zinc/88/30/77/937883077.db2.gz WEOPUIBZDGYCHX-STQMWFEESA-N -1 3 285.409 3.083 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCCC23CCCCC3)o1 ZINC001475491300 937883932 /nfs/dbraw/zinc/88/39/32/937883932.db2.gz OXCQOQZLJMOURN-ZDUSSCGKSA-N -1 3 297.420 3.369 20 0 CGADHM O=C([N-]c1nsc2ccccc12)c1c(F)ccnc1F ZINC001527048350 938060058 /nfs/dbraw/zinc/06/00/58/938060058.db2.gz RLIYECBNINPKEN-UHFFFAOYSA-N -1 3 291.282 3.222 20 0 CGADHM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1ccc(C)nn1 ZINC001528154448 938065861 /nfs/dbraw/zinc/06/58/61/938065861.db2.gz QZBDSWPRNYMHPS-UHFFFAOYSA-N -1 3 294.314 3.001 20 0 CGADHM O=C(O[C@@H]1CCc2cccnc21)c1cccc(Cl)c1[O-] ZINC001538834708 938121007 /nfs/dbraw/zinc/12/10/07/938121007.db2.gz KTAXFDOWWZYBAL-GFCCVEGCSA-N -1 3 289.718 3.285 20 0 CGADHM CCCc1nc(C)c(C(=O)[N-]c2cc(C(C)(C)F)on2)o1 ZINC001540314541 938129981 /nfs/dbraw/zinc/12/99/81/938129981.db2.gz WZDRXAMFYZPULB-UHFFFAOYSA-N -1 3 295.314 3.380 20 0 CGADHM CC(=O)Nc1ccc(NC(=O)c2c(C)cccc2[O-])cc1C ZINC001543145584 938138009 /nfs/dbraw/zinc/13/80/09/938138009.db2.gz WUEBEAYRQMZLQI-UHFFFAOYSA-N -1 3 298.342 3.220 20 0 CGADHM CC(C)c1cc(C(=O)[N-]c2cccc3nsnc32)on1 ZINC001543601078 938140614 /nfs/dbraw/zinc/14/06/14/938140614.db2.gz VTMVGHWAVRMZAO-UHFFFAOYSA-N -1 3 288.332 3.055 20 0 CGADHM CC[C@](C)(NC(=O)c1ccccc1[O-])c1ccccc1 ZINC001543734624 938141241 /nfs/dbraw/zinc/14/12/41/938141241.db2.gz GSOWSWMDGCEEPA-KRWDZBQOSA-N -1 3 269.344 3.447 20 0 CGADHM COc1cccc([O-])c1C(=O)N[C@@H](C)[C@H](C)c1ccccc1 ZINC001545158171 938148885 /nfs/dbraw/zinc/14/88/85/938148885.db2.gz JKUZZHLKCAHGTH-STQMWFEESA-N -1 3 299.370 3.323 20 0 CGADHM CCc1cc(=O)[n-]c(-c2ccc(N(C)[C@@H](C)C3CC3)nc2)n1 ZINC001548507012 938151652 /nfs/dbraw/zinc/15/16/52/938151652.db2.gz RIZNBQQZQQDTKL-NSHDSACASA-N -1 3 298.390 3.041 20 0 CGADHM O=C([O-])[C@H]1CN(Cc2ccc(Cl)cc2F)C[C@@H]1C1CC1 ZINC001549115962 938155488 /nfs/dbraw/zinc/15/54/88/938155488.db2.gz HTKMBAQWSLZMTM-OLZOCXBDSA-N -1 3 297.757 3.022 20 0 CGADHM CC1(C)[C@H](NCc2cc(C(=O)[O-])co2)[C@@H]1c1ccccc1 ZINC001550345331 938165912 /nfs/dbraw/zinc/16/59/12/938165912.db2.gz HQJMVRPHDGNQSH-LSDHHAIUSA-N -1 3 285.343 3.260 20 0 CGADHM O=C([O-])[C@H]1CN(Cc2ccc(Cl)c(F)c2)C[C@H]1C1CC1 ZINC001550936129 938172745 /nfs/dbraw/zinc/17/27/45/938172745.db2.gz SMJMNHXAQRJOPR-RYUDHWBXSA-N -1 3 297.757 3.022 20 0 CGADHM CCCO[N-]C(=O)[C@@H]1C2CCC(CC2)[C@@H]1C(F)(F)F ZINC001552166144 938190389 /nfs/dbraw/zinc/19/03/89/938190389.db2.gz ZUUHWPYQOIPEGC-LXKPXOPUSA-N -1 3 279.302 3.059 20 0 CGADHM O=Cc1ccc(C(=O)Nc2c([O-])cccc2Cl)s1 ZINC001556783819 938205729 /nfs/dbraw/zinc/20/57/29/938205729.db2.gz AUJYSZWBLBLEMB-UHFFFAOYSA-N -1 3 281.720 3.172 20 0 CGADHM Cc1cc(CNC(=O)c2ccc(C(C)C)cc2[O-])cc(C)n1 ZINC001557079472 938207554 /nfs/dbraw/zinc/20/75/54/938207554.db2.gz XNTAHHXRIQWCCF-UHFFFAOYSA-N -1 3 298.386 3.457 20 0 CGADHM CCCCOc1ccc(C(=O)NC/C=C\Cl)c([O-])c1 ZINC001559041943 938219240 /nfs/dbraw/zinc/21/92/40/938219240.db2.gz GOCHMUNYOUPDDU-DAXSKMNVSA-N -1 3 283.755 3.053 20 0 CGADHM CCC(CC)c1cc(CNCc2nc(C)ccc2[O-])on1 ZINC001560357060 938254789 /nfs/dbraw/zinc/25/47/89/938254789.db2.gz DFSJFYVAVPBLPR-UHFFFAOYSA-N -1 3 289.379 3.277 20 0 CGADHM O=C([O-])[C@@H]1CN(Cc2cccc(F)c2Cl)C[C@H]1C1CC1 ZINC001595191530 952285246 /nfs/dbraw/zinc/28/52/46/952285246.db2.gz UXAUYMDRYYCYEN-NWDGAFQWSA-N -1 3 297.757 3.022 20 0 CGADHM CC(C)C[C@@H](N[C@H](C)c1c(F)cccc1F)C(=O)[O-] ZINC000043431976 957430357 /nfs/dbraw/zinc/43/03/57/957430357.db2.gz KBIBXOGUGJVSIV-BXKDBHETSA-N -1 3 271.307 3.115 20 0 CGADHM Cc1cccc([C@@H](NCc2cc(F)ccc2C)C(=O)[O-])c1 ZINC001594398759 958811195 /nfs/dbraw/zinc/81/11/95/958811195.db2.gz ZTXAAAYTWDMEKP-MRXNPFEDSA-N -1 3 287.334 3.358 20 0 CGADHM C[C@@H](NCc1ccccc1C(=O)[O-])c1ccc(Cl)nc1 ZINC001603250909 972423939 /nfs/dbraw/zinc/42/39/39/972423939.db2.gz RFCZAMXCLMJBNN-SNVBAGLBSA-N -1 3 290.750 3.284 20 0 CGADHM Cc1cc([C@H](C)NCc2c[nH]c(C(=O)[O-])c2)c(C)s1 ZINC001574684562 960466093 /nfs/dbraw/zinc/46/60/93/960466093.db2.gz BGJAVFKDNQPUSK-VIFPVBQESA-N -1 3 278.377 3.242 20 0 CGADHM CCC[C@@H](CC)C(=O)Nc1ccc(C(=O)OCC)cc1[O-] ZINC001567084547 961114006 /nfs/dbraw/zinc/11/40/06/961114006.db2.gz PEVPGZLLKCHTKQ-LLVKDONJSA-N -1 3 293.363 3.334 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2cc3c([nH]2)c(F)ccc3C)n1 ZINC001568295739 961536772 /nfs/dbraw/zinc/53/67/72/961536772.db2.gz CBAYDTJTYOFBCG-UHFFFAOYSA-N -1 3 299.305 3.277 20 0 CGADHM C[C@@H]1CCCC[C@@H]1N(C)c1cc(F)ccc1-c1nnn[n-]1 ZINC001576163398 962438453 /nfs/dbraw/zinc/43/84/53/962438453.db2.gz ASTNUPWVLIEQEH-MFKMUULPSA-N -1 3 289.358 3.021 20 0 CGADHM C[C@@H]1CCCC[C@@H]1N(C)c1cc(F)ccc1-c1nn[n-]n1 ZINC001576163398 962438467 /nfs/dbraw/zinc/43/84/67/962438467.db2.gz ASTNUPWVLIEQEH-MFKMUULPSA-N -1 3 289.358 3.021 20 0 CGADHM CCCCc1ccc(Nc2ncccc2-c2nnn[n-]2)cc1 ZINC001577520020 962551610 /nfs/dbraw/zinc/55/16/10/962551610.db2.gz FSBWRRHTTSEHNJ-UHFFFAOYSA-N -1 3 294.362 3.348 20 0 CGADHM CCCCc1ccc(Nc2ncccc2-c2nn[n-]n2)cc1 ZINC001577520020 962551623 /nfs/dbraw/zinc/55/16/23/962551623.db2.gz FSBWRRHTTSEHNJ-UHFFFAOYSA-N -1 3 294.362 3.348 20 0 CGADHM CCc1ccccc1COc1ccccc1-c1nnn[n-]1 ZINC001578537728 962592417 /nfs/dbraw/zinc/59/24/17/962592417.db2.gz ATEJOHRWBJABPF-UHFFFAOYSA-N -1 3 280.331 3.008 20 0 CGADHM CCc1ccccc1COc1ccccc1-c1nn[n-]n1 ZINC001578537728 962592426 /nfs/dbraw/zinc/59/24/26/962592426.db2.gz ATEJOHRWBJABPF-UHFFFAOYSA-N -1 3 280.331 3.008 20 0 CGADHM Cc1c(Cl)cccc1Oc1ccncc1-c1nnn[n-]1 ZINC001580554471 962729876 /nfs/dbraw/zinc/72/98/76/962729876.db2.gz LARKINOSLAERHF-UHFFFAOYSA-N -1 3 287.710 3.016 20 0 CGADHM Clc1ccc(-c2nnn[n-]2)c(OCC2=CCCC2)c1 ZINC001581746043 962754470 /nfs/dbraw/zinc/75/44/70/962754470.db2.gz GNARQIVKBUQEQX-UHFFFAOYSA-N -1 3 276.727 3.009 20 0 CGADHM Clc1ccc(-c2nn[n-]n2)c(OCC2=CCCC2)c1 ZINC001581746043 962754476 /nfs/dbraw/zinc/75/44/76/962754476.db2.gz GNARQIVKBUQEQX-UHFFFAOYSA-N -1 3 276.727 3.009 20 0 CGADHM CSc1c(F)cccc1[N-]C(=O)c1ncccc1F ZINC001586052558 963067082 /nfs/dbraw/zinc/06/70/82/963067082.db2.gz URHVDMVLBBSLJW-UHFFFAOYSA-N -1 3 280.299 3.334 20 0 CGADHM Cc1cccc([O-])c1C(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC001586082024 963068899 /nfs/dbraw/zinc/06/88/99/963068899.db2.gz SVKFUORCYWVUBI-MELADBBJSA-N -1 3 273.376 3.399 20 0 CGADHM C=C/C=C\CCSc1cccc(F)c1-c1nnn[n-]1 ZINC001588530353 963277798 /nfs/dbraw/zinc/27/77/98/963277798.db2.gz KNNGKHRVXZUENE-ARJAWSKDSA-N -1 3 276.340 3.230 20 0 CGADHM C/C(=C/CN1CC[C@H](c2cccc(Cl)c2)C1)C(=O)[O-] ZINC001588960168 963335209 /nfs/dbraw/zinc/33/52/09/963335209.db2.gz YFJOTAXTYQEXDZ-PTJCHJMSSA-N -1 3 279.767 3.160 20 0 CGADHM C[C@H](N[C@H]1C[C@H](C(=O)[O-])c2ccccc21)c1cccnc1 ZINC001589122686 963343015 /nfs/dbraw/zinc/34/30/15/963343015.db2.gz FUFWFIFBDJXYOT-UVBJJODRSA-N -1 3 282.343 3.045 20 0 CGADHM CC(C)(C)c1cccc(Oc2ccncc2-c2nnn[n-]2)c1 ZINC001589229675 963354366 /nfs/dbraw/zinc/35/43/66/963354366.db2.gz RTFICNGQUFDLDQ-UHFFFAOYSA-N -1 3 295.346 3.352 20 0 CGADHM Cc1c(C(=O)[O-])cc(CN[C@H](C)c2ccc(F)cc2)n1C ZINC000314506069 963762544 /nfs/dbraw/zinc/76/25/44/963762544.db2.gz MZTPYXFJDRBQJG-SNVBAGLBSA-N -1 3 290.338 3.022 20 0 CGADHM CC(C)C[C@@H](C)CSc1ccc(-c2nnn[n-]2)cn1 ZINC001589549625 964002945 /nfs/dbraw/zinc/00/29/45/964002945.db2.gz AXYBFXBRDOKOGG-SNVBAGLBSA-N -1 3 277.397 3.036 20 0 CGADHM CC(C)C[C@@H](C)CSc1ccc(-c2nn[n-]n2)cn1 ZINC001589549625 964002955 /nfs/dbraw/zinc/00/29/55/964002955.db2.gz AXYBFXBRDOKOGG-SNVBAGLBSA-N -1 3 277.397 3.036 20 0 CGADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)s1)c1ccccc1 ZINC001589701398 964016582 /nfs/dbraw/zinc/01/65/82/964016582.db2.gz AFMAAXAHJIFKIS-UHFFFAOYSA-N -1 3 299.403 3.343 20 0 CGADHM Cc1cccc([C@@H](NCc2ccc(C)c(F)c2)C(=O)[O-])c1 ZINC001605330245 973207016 /nfs/dbraw/zinc/20/70/16/973207016.db2.gz PFIFHGUDOOPJCL-MRXNPFEDSA-N -1 3 287.334 3.358 20 0 CGADHM O=C([O-])c1ccc(CNCc2ccc3ncccc3c2)s1 ZINC001606491170 973976441 /nfs/dbraw/zinc/97/64/41/973976441.db2.gz NRLHBSWZTORLDW-UHFFFAOYSA-N -1 3 298.367 3.284 20 0 CGADHM C[C@@H](COCC1CCCCC1)NCc1occc1C(=O)[O-] ZINC001592775224 979398534 /nfs/dbraw/zinc/39/85/34/979398534.db2.gz DEZXAAHBSYXDJW-LBPRGKRZSA-N -1 3 295.379 3.053 20 0 CGADHM CC[C@@H](NCc1ccc(C)nc1)c1ccc(C(=O)[O-])cc1 ZINC001595299742 980430610 /nfs/dbraw/zinc/43/06/10/980430610.db2.gz DJQOYIRROVYZTG-MRXNPFEDSA-N -1 3 284.359 3.329 20 0 CGADHM C[C@@H]1CN(Cc2ccc(-c3ccccc3C(=O)[O-])o2)[C@@H]1C ZINC001594535085 986144693 /nfs/dbraw/zinc/14/46/93/986144693.db2.gz LOHSPSWMGNVZKR-VXGBXAGGSA-N -1 3 285.343 3.485 20 0 CGADHM CCc1cccc(CN[C@@](C)(CC(=O)[O-])c2cccnc2)c1 ZINC001597587168 988409491 /nfs/dbraw/zinc/40/94/91/988409491.db2.gz QXTGLUZWJZYZIK-SFHVURJKSA-N -1 3 298.386 3.124 20 0 CGADHM CSc1ccccc1[C@@H](C)NCc1c[nH]c(C(=O)[O-])c1 ZINC001599825947 988598500 /nfs/dbraw/zinc/59/85/00/988598500.db2.gz ASGGUHNJRBVJGL-SNVBAGLBSA-N -1 3 290.388 3.286 20 0 CGADHM CC(C)CCO[C@@H]1CCN([C@H](C)c2ccc(C(=O)[O-])o2)C1 ZINC001591260352 992168968 /nfs/dbraw/zinc/16/89/68/992168968.db2.gz WPQLQOPDGQEONQ-CHWSQXEVSA-N -1 3 295.379 3.176 20 0 CGADHM C[C@H](NCCCc1cccs1)c1ncc(C(=O)[O-])s1 ZINC001593266517 994580729 /nfs/dbraw/zinc/58/07/29/994580729.db2.gz FGIYUIKVKSTJGT-VIFPVBQESA-N -1 3 296.417 3.186 20 0 CGADHM C[C@H](NCc1ccc(F)cc1)c1cc(C(=O)[O-])cs1 ZINC001593299312 994721218 /nfs/dbraw/zinc/72/12/18/994721218.db2.gz RGUDGCVFEZOZGB-VIFPVBQESA-N -1 3 279.336 3.436 20 0 CGADHM C[C@@H](NCc1ccc(Cl)cc1)c1cncc(C(=O)[O-])c1 ZINC001593299912 994727251 /nfs/dbraw/zinc/72/72/51/994727251.db2.gz YEWJFAVLDVHVQE-SNVBAGLBSA-N -1 3 290.750 3.284 20 0 CGADHM C[C@H](c1nc2ccccc2o1)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001593734374 996324450 /nfs/dbraw/zinc/32/44/50/996324450.db2.gz TVKBEZSCKUPYIK-BDJLRTHQSA-N -1 3 288.347 3.076 20 0 CGADHM C[C@@H]1CCCC[C@@H]1OCC(=O)Nc1ccc([O-])cc1F ZINC000124401561 187135958 /nfs/dbraw/zinc/13/59/58/187135958.db2.gz OOAMIUJERRJDMH-YGRLFVJLSA-N -1 3 281.327 3.065 20 0 CGADHM CC(C)(C)c1ccc(NC(=O)c2ccc[nH]2)c([O-])c1 ZINC000337660536 214201571 /nfs/dbraw/zinc/20/15/71/214201571.db2.gz QGOUHHAGHBTJNX-UHFFFAOYSA-N -1 3 258.321 3.270 20 0 CGADHM C[C@@H](Cn1ncc2ccccc21)C(=O)Nc1ccccc1[O-] ZINC000350698361 219049088 /nfs/dbraw/zinc/04/90/88/219049088.db2.gz DOEGPCRBOSMZTF-LBPRGKRZSA-N -1 3 295.342 3.017 20 0 CGADHM CC(C)(C)c1ccc(NC(=O)c2ccncc2F)c([O-])c1 ZINC000337668670 214206683 /nfs/dbraw/zinc/20/66/83/214206683.db2.gz WANHGURSDWWAGL-UHFFFAOYSA-N -1 3 288.322 3.476 20 0 CGADHM CC(C)(C)c1ccc(NC(=O)[C@]2(C)CCOC2)c([O-])c1 ZINC000337662404 214204528 /nfs/dbraw/zinc/20/45/28/214204528.db2.gz RFCURWNXSWLTOV-MRXNPFEDSA-N -1 3 277.364 3.055 20 0 CGADHM COc1cccc(C2(C(=O)Nc3ccccc3[O-])CC2)c1 ZINC000350701528 219050048 /nfs/dbraw/zinc/05/00/48/219050048.db2.gz QMLPCYWVQLFREI-UHFFFAOYSA-N -1 3 283.327 3.071 20 0 CGADHM O=C(N[C@H]1CC=CCC1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621875533 349600242 /nfs/dbraw/zinc/60/02/42/349600242.db2.gz WVQSZWCUUZUUQK-NSHDSACASA-N -1 3 285.265 3.250 20 0 CGADHM CC(C)CC(=O)Nc1nnc(-c2ccc3ccccc3n2)[n-]1 ZINC000590406479 346845336 /nfs/dbraw/zinc/84/53/36/346845336.db2.gz JRIDSNHIVDQXEX-UHFFFAOYSA-N -1 3 295.346 3.005 20 0 CGADHM CC(C)CC(=O)Nc1nc(-c2ccc3ccccc3n2)n[n-]1 ZINC000590406479 346845338 /nfs/dbraw/zinc/84/53/38/346845338.db2.gz JRIDSNHIVDQXEX-UHFFFAOYSA-N -1 3 295.346 3.005 20 0 CGADHM CC(C)CC(=O)Nc1n[n-]c(-c2ccc3ccccc3n2)n1 ZINC000590406479 346845339 /nfs/dbraw/zinc/84/53/39/346845339.db2.gz JRIDSNHIVDQXEX-UHFFFAOYSA-N -1 3 295.346 3.005 20 0 CGADHM CCC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccccc1F ZINC000590610183 346854998 /nfs/dbraw/zinc/85/49/98/346854998.db2.gz APMWEGYMESZUAF-TZMCWYRMSA-N -1 3 299.411 3.463 20 0 CGADHM O=C(c1c([O-])cccc1O)N1CC[C@@H](C2CCCCC2)C1 ZINC000622161934 349641023 /nfs/dbraw/zinc/64/10/23/349641023.db2.gz RQRBYCLVQZKLMS-CYBMUJFWSA-N -1 3 289.375 3.140 20 0 CGADHM CC[C@@H](C)c1ncc(NC(=O)c2ccc(C)cc2[O-])cn1 ZINC000436922720 529434870 /nfs/dbraw/zinc/43/48/70/529434870.db2.gz ZVSCTDGKMBKKJB-LLVKDONJSA-N -1 3 285.347 3.256 20 0 CGADHM CC[C@@H](C)n1ncc(C(=O)Nc2c(C)cccc2[O-])c1C ZINC000359912896 529441466 /nfs/dbraw/zinc/44/14/66/529441466.db2.gz RNKRSAUECGDQAZ-LLVKDONJSA-N -1 3 287.363 3.429 20 0 CGADHM O=C(Nc1cc(C(F)(F)F)ccc1[O-])[C@@H]1C[C@H]1C(F)F ZINC000338192548 214440913 /nfs/dbraw/zinc/44/09/13/214440913.db2.gz SRCPAZWQGUXGFA-RNFRBKRXSA-N -1 3 295.207 3.251 20 0 CGADHM CCCN1C(=O)c2ccccc2N[C@@H]1c1nc(C)ccc1[O-] ZINC000590949301 346889396 /nfs/dbraw/zinc/88/93/96/346889396.db2.gz PUTBRXHJTMZJGY-INIZCTEOSA-N -1 3 297.358 3.072 20 0 CGADHM CCc1ccc(C(=O)NCc2cccc(C)c2)c([O-])c1 ZINC000622294714 349668877 /nfs/dbraw/zinc/66/88/77/349668877.db2.gz AJZUQVAHAARFLV-UHFFFAOYSA-N -1 3 269.344 3.193 20 0 CGADHM CCc1cccc(C(=O)NCc2ccc(C)s2)c1[O-] ZINC000622311305 349671077 /nfs/dbraw/zinc/67/10/77/349671077.db2.gz SHLFKHFVGRLHNG-UHFFFAOYSA-N -1 3 275.373 3.255 20 0 CGADHM CCc1ccc(C(=O)NCCCNc2ccccc2)c([O-])c1 ZINC000622363315 349674871 /nfs/dbraw/zinc/67/48/71/349674871.db2.gz HLIRVNZZZDZZFI-UHFFFAOYSA-N -1 3 298.386 3.187 20 0 CGADHM CCc1cccc(C(=O)NCc2cc(C)cc(OC)c2)c1[O-] ZINC000622457675 349681179 /nfs/dbraw/zinc/68/11/79/349681179.db2.gz IBEJAFSRQMUESB-UHFFFAOYSA-N -1 3 299.370 3.202 20 0 CGADHM CCc1cc(C(=O)N[C@H](CC)CC(F)(F)F)ccc1[O-] ZINC000436705711 529519639 /nfs/dbraw/zinc/51/96/39/529519639.db2.gz NPUHZYJNJQKJJH-LLVKDONJSA-N -1 3 289.297 3.415 20 0 CGADHM O=C(NCCC1(F)CCC1)c1cc2c(cc1[O-])CCCC2 ZINC000622600258 349688851 /nfs/dbraw/zinc/68/88/51/349688851.db2.gz QHOCNDXOQFYVHF-UHFFFAOYSA-N -1 3 291.366 3.283 20 0 CGADHM CCn1ccnc1C(=O)Nc1cc(C(C)(C)C)ccc1[O-] ZINC000436846219 529567312 /nfs/dbraw/zinc/56/73/12/529567312.db2.gz BJXORNYKSLLENL-UHFFFAOYSA-N -1 3 287.363 3.158 20 0 CGADHM CCc1ccc(C(=O)NCc2cc3ccccc3[nH]2)c([O-])c1 ZINC000436825815 529605933 /nfs/dbraw/zinc/60/59/33/529605933.db2.gz MTIPYIRJLZMWJL-UHFFFAOYSA-N -1 3 294.354 3.366 20 0 CGADHM CC1(NC(=O)c2cc([O-])cc(C(F)(F)F)c2)CCCC1 ZINC000623017482 349751980 /nfs/dbraw/zinc/75/19/80/349751980.db2.gz VJMSOJWSVMVZCV-UHFFFAOYSA-N -1 3 287.281 3.474 20 0 CGADHM CCc1ccc(C(=O)N2C[C@H](C)C[C@H](C)[C@H]2C)c([O-])c1 ZINC000436984521 529601586 /nfs/dbraw/zinc/60/15/86/529601586.db2.gz BTVSYDZZSABGHB-FRRDWIJNSA-N -1 3 275.392 3.461 20 0 CGADHM CC[C@H](C(=O)Nc1cc(Cl)ccc1[O-])N(CC)CC ZINC000440942711 529620029 /nfs/dbraw/zinc/62/00/29/529620029.db2.gz VHTXDHYPEJSNGO-GFCCVEGCSA-N -1 3 284.787 3.105 20 0 CGADHM CC(C)(C)OCC(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000351024598 219074598 /nfs/dbraw/zinc/07/45/98/219074598.db2.gz DQLCPHBBKACIHB-UHFFFAOYSA-N -1 3 291.269 3.165 20 0 CGADHM C[C@H]1CCCC[C@@H]1C(=O)Nc1cccc([O-])c1F ZINC000335538129 212236560 /nfs/dbraw/zinc/23/65/60/212236560.db2.gz GJEYWESDQVEVRF-UWVGGRQHSA-N -1 3 251.301 3.296 20 0 CGADHM CCc1nc(C(=O)[N-]c2c(OC)cccc2SC)co1 ZINC000416119557 529710746 /nfs/dbraw/zinc/71/07/46/529710746.db2.gz FHMJJNDFKQBOLZ-UHFFFAOYSA-N -1 3 292.360 3.220 20 0 CGADHM CC[C@@H](c1ccncc1)N(C)C(=O)c1cc(C)ccc1[O-] ZINC000127914444 187340602 /nfs/dbraw/zinc/34/06/02/187340602.db2.gz GJEDDVXJVQELQY-HNNXBMFYSA-N -1 3 284.359 3.319 20 0 CGADHM CN(CC1CCCCC1)C(=O)Cc1ccc([O-])c(F)c1 ZINC000448651877 529864730 /nfs/dbraw/zinc/86/47/30/529864730.db2.gz YKONWELTTQJYHX-UHFFFAOYSA-N -1 3 279.355 3.113 20 0 CGADHM O=C([N-]c1nncs1)c1cc2cc(F)ccc2s1 ZINC000021214644 344892402 /nfs/dbraw/zinc/89/24/02/344892402.db2.gz JLEGHKUBYVVBEK-UHFFFAOYSA-N -1 3 279.321 3.144 20 0 CGADHM Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccccc1[O-] ZINC000024661946 344900969 /nfs/dbraw/zinc/90/09/69/344900969.db2.gz NZGWTCLHAHYFCO-UHFFFAOYSA-N -1 3 296.248 3.367 20 0 CGADHM O=C(Nc1ccc(F)c(F)c1)c1cc(-c2ccco2)[n-]n1 ZINC000028273097 344913479 /nfs/dbraw/zinc/91/34/79/344913479.db2.gz PDLIRXCLOPFHHT-UHFFFAOYSA-N -1 3 289.241 3.200 20 0 CGADHM O=C(Nc1ccc(F)c(F)c1)c1cc(-c2ccco2)n[n-]1 ZINC000028273097 344913481 /nfs/dbraw/zinc/91/34/81/344913481.db2.gz PDLIRXCLOPFHHT-UHFFFAOYSA-N -1 3 289.241 3.200 20 0 CGADHM CCOCc1ccc(CNC(=O)c2cc(C)ccc2[O-])cc1 ZINC000030124560 344921232 /nfs/dbraw/zinc/92/12/32/344921232.db2.gz JAUBHEHXBUGZDG-UHFFFAOYSA-N -1 3 299.370 3.167 20 0 CGADHM C[C@H]1CCCCN1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000038379348 344955493 /nfs/dbraw/zinc/95/54/93/344955493.db2.gz NOGHVMTUMWDNMC-NSHDSACASA-N -1 3 297.358 3.456 20 0 CGADHM Cc1c2cccc(C)c2oc1C(=O)Nc1ncccc1[O-] ZINC000053762515 345125038 /nfs/dbraw/zinc/12/50/38/345125038.db2.gz WCHWMBCOSUNLNT-UHFFFAOYSA-N -1 3 282.299 3.403 20 0 CGADHM Cc1noc(C(C)C)c1C(=O)Nc1ccc(C)cc1[O-] ZINC000061485712 345229793 /nfs/dbraw/zinc/22/97/93/345229793.db2.gz PTMJJYZZNCFMLC-UHFFFAOYSA-N -1 3 274.320 3.373 20 0 CGADHM C[C@]1(C(=O)[O-])CCCN(CCSc2ccccc2F)C1 ZINC000062877076 345241055 /nfs/dbraw/zinc/24/10/55/345241055.db2.gz MAFBEMPCTGPPRM-HNNXBMFYSA-N -1 3 297.395 3.105 20 0 CGADHM O=C(Nc1cc(Cl)ccc1[O-])c1cccc2c1OCO2 ZINC000067139004 345315803 /nfs/dbraw/zinc/31/58/03/345315803.db2.gz ZMHCYFUDXXTLDJ-UHFFFAOYSA-N -1 3 291.690 3.027 20 0 CGADHM C[C@H]1CCC[C@@H](N(C)Cc2nc(=O)c3sccc3[n-]2)C1 ZINC000026470612 232170847 /nfs/dbraw/zinc/17/08/47/232170847.db2.gz FTRZVSRRFHMFKG-WDEREUQCSA-N -1 3 291.420 3.407 20 0 CGADHM CC(C)c1ccc(C(=O)N2C[C@H](C)OC(C)(C)C2)c([O-])c1 ZINC000065620374 345275858 /nfs/dbraw/zinc/27/58/58/345275858.db2.gz YCCXDEFJVJTCKU-LBPRGKRZSA-N -1 3 291.391 3.155 20 0 CGADHM CSCc1ccc(NC(=O)c2ccc3n[n-]nc3c2)cc1 ZINC000066778688 345306175 /nfs/dbraw/zinc/30/61/75/345306175.db2.gz MMTIBROMLCYPJN-UHFFFAOYSA-N -1 3 298.371 3.073 20 0 CGADHM CC[C@H]1C[C@H](C)CN1Cc1nc(=O)c2sccc2[n-]1 ZINC000072698147 345416340 /nfs/dbraw/zinc/41/63/40/345416340.db2.gz BLPAERDZIWEIFS-UWVGGRQHSA-N -1 3 277.393 3.017 20 0 CGADHM COc1ccc(C(=O)NC2CC(c3ccccc3)C2)c([O-])c1 ZINC000077444769 345573098 /nfs/dbraw/zinc/57/30/98/345573098.db2.gz CAEBETJXJNVICC-UHFFFAOYSA-N -1 3 297.354 3.077 20 0 CGADHM Cc1cccc(C(=O)N2CCC[C@H]2c2cccnc2)c1[O-] ZINC000078568076 345613716 /nfs/dbraw/zinc/61/37/16/345613716.db2.gz RFCNXLHBYMLGDW-HNNXBMFYSA-N -1 3 282.343 3.073 20 0 CGADHM C[C@H](c1ccc(C(=O)[O-])o1)N1CCCC(C)(C)C1 ZINC000091782700 345823127 /nfs/dbraw/zinc/82/31/27/345823127.db2.gz ZWMSYXDRTXGGSO-SNVBAGLBSA-N -1 3 251.326 3.161 20 0 CGADHM CCc1cccc(C(=O)N2CCC[C@@H](C)[C@@H]2C)c1[O-] ZINC000091743623 345822334 /nfs/dbraw/zinc/82/23/34/345822334.db2.gz VONZJVNSEFAAKN-NEPJUHHUSA-N -1 3 261.365 3.215 20 0 CGADHM Cc1occc1-c1noc(-c2cccc(C)c2[O-])n1 ZINC000165727464 232261443 /nfs/dbraw/zinc/26/14/43/232261443.db2.gz VBRNXCSUGWWAAZ-UHFFFAOYSA-N -1 3 256.261 3.319 20 0 CGADHM O=C(c1ccccc1[O-])N1CCC[C@H]1COc1ccccc1 ZINC000094136296 345895972 /nfs/dbraw/zinc/89/59/72/345895972.db2.gz LLDTWWPBQTYTCE-AWEZNQCLSA-N -1 3 297.354 3.076 20 0 CGADHM CCO[C@H]1C[C@@H](N(C)Cc2c(F)ccc([O-])c2F)C1(C)C ZINC000351643871 219160799 /nfs/dbraw/zinc/16/07/99/219160799.db2.gz JQMADLXYDVBLSL-KGLIPLIRSA-N -1 3 299.361 3.306 20 0 CGADHM CC(C)C[C@@H]([N-]S(=O)(=O)c1ccoc1)c1cccs1 ZINC000351643353 219160884 /nfs/dbraw/zinc/16/08/84/219160884.db2.gz BWBXXWVJGPCFHO-GFCCVEGCSA-N -1 3 299.417 3.407 20 0 CGADHM CCCC[C@H](CC)CC(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000117242324 345982749 /nfs/dbraw/zinc/98/27/49/345982749.db2.gz XDLVMOHGRWLDJP-QMMMGPOBSA-N -1 3 292.305 3.369 20 0 CGADHM CCCC[C@H](CC)CC(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000117242324 345982752 /nfs/dbraw/zinc/98/27/52/345982752.db2.gz XDLVMOHGRWLDJP-QMMMGPOBSA-N -1 3 292.305 3.369 20 0 CGADHM COc1ccc(Cl)cc1CN1CC[C@H](C)C[C@H]1C(=O)[O-] ZINC000129348677 346048624 /nfs/dbraw/zinc/04/86/24/346048624.db2.gz MABGWGZKCCCPQB-GWCFXTLKSA-N -1 3 297.782 3.034 20 0 CGADHM C[C@@]1(C(=O)[O-])CCCN(Cc2cccc(C(F)F)c2)C1 ZINC000132293110 346071129 /nfs/dbraw/zinc/07/11/29/346071129.db2.gz WBQZQQSYOQNTTJ-OAHLLOKOSA-N -1 3 283.318 3.311 20 0 CGADHM Cc1cccc([O-])c1C(=O)N([C@H](C)C1CC1)C1CC1 ZINC000624003647 349942197 /nfs/dbraw/zinc/94/21/97/349942197.db2.gz FBFWDUVRZXJDMA-LLVKDONJSA-N -1 3 259.349 3.104 20 0 CGADHM C[C@H](c1ccco1)N(C)CCc1ccccc1C(=O)[O-] ZINC000228516937 346315188 /nfs/dbraw/zinc/31/51/88/346315188.db2.gz RCZILXIVIIHUQC-GFCCVEGCSA-N -1 3 273.332 3.213 20 0 CGADHM O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1ccc(F)c(Cl)c1 ZINC000229239676 346316331 /nfs/dbraw/zinc/31/63/31/346316331.db2.gz JEJCALRHEKSMET-GYSYKLTISA-N -1 3 297.757 3.164 20 0 CGADHM C[C@H]1CCCN(Cc2ccc(C(=O)[O-])c(F)c2)CC1 ZINC000235665402 346337258 /nfs/dbraw/zinc/33/72/58/346337258.db2.gz ZVOZCGMWRGZAMQ-NSHDSACASA-N -1 3 265.328 3.146 20 0 CGADHM COc1cccc(C)c1NC(=O)c1cccc(C)c1[O-] ZINC000195029911 232515185 /nfs/dbraw/zinc/51/51/85/232515185.db2.gz SDRHVYZDPYYALN-UHFFFAOYSA-N -1 3 271.316 3.270 20 0 CGADHM CC1(C)[C@@H](C(F)(F)F)CCN1Cc1ccoc1C(=O)[O-] ZINC000312777465 346478241 /nfs/dbraw/zinc/47/82/41/346478241.db2.gz CYOMWDCENOJZHC-VIFPVBQESA-N -1 3 291.269 3.141 20 0 CGADHM F[C@H]1CCC[C@@H](c2nc(-c3ccc4n[n-]nc4c3)no2)C1 ZINC000351448705 346538493 /nfs/dbraw/zinc/53/84/93/346538493.db2.gz CTPPLGHQRCDDBG-ZJUUUORDSA-N -1 3 287.298 3.004 20 0 CGADHM C[C@H](c1ccccc1F)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000405300721 346603266 /nfs/dbraw/zinc/60/32/66/346603266.db2.gz SFBMUXUKAJZXLE-YPMHNXCESA-N -1 3 277.339 3.073 20 0 CGADHM Clc1cc2cc(-c3nc(-c4ncc[nH]4)no3)[n-]c2s1 ZINC000350398449 282502438 /nfs/dbraw/zinc/50/24/38/282502438.db2.gz ANCMKBDZBBMAQB-UHFFFAOYSA-N -1 3 291.723 3.323 20 0 CGADHM CCCn1c(=O)[n-]nc1SCc1ccc2c(c1)CCC2 ZINC000351806823 219212009 /nfs/dbraw/zinc/21/20/09/219212009.db2.gz ICDJEGMRPLRACH-UHFFFAOYSA-N -1 3 289.404 3.175 20 0 CGADHM CSCC[C@@H](C)N(C)C(=O)c1cc(SC)ccc1[O-] ZINC000597270905 347565001 /nfs/dbraw/zinc/56/50/01/347565001.db2.gz JTYLYLBIBNMNJS-SNVBAGLBSA-N -1 3 299.461 3.328 20 0 CGADHM COc1ccc([O-])c(C(=O)N[C@H]2c3ccccc3C[C@H]2C)c1 ZINC000599901837 347774403 /nfs/dbraw/zinc/77/44/03/347774403.db2.gz FFJSHHQPWFUNSZ-PIGZYNQJSA-N -1 3 297.354 3.064 20 0 CGADHM CSCCCN(C)Cc1cc([O-])ccc1Cl ZINC000599397000 347741582 /nfs/dbraw/zinc/74/15/82/347741582.db2.gz MTISNUZRVHSBGD-UHFFFAOYSA-N -1 3 259.802 3.231 20 0 CGADHM CCS[C@@H]1CCC[C@H]1NC(=O)c1c(C)cccc1[O-] ZINC000599630713 347760266 /nfs/dbraw/zinc/76/02/66/347760266.db2.gz UWZSFTDXCKESQR-DGCLKSJQSA-N -1 3 279.405 3.105 20 0 CGADHM Cc1nnc(CSCc2cc([O-])ccc2Cl)o1 ZINC000600634016 347820850 /nfs/dbraw/zinc/82/08/50/347820850.db2.gz WRBVYWZFIFIXMV-UHFFFAOYSA-N -1 3 270.741 3.170 20 0 CGADHM C[C@H](CCSc1ccccc1)SCCc1nnn[n-]1 ZINC000603341086 348072626 /nfs/dbraw/zinc/07/26/26/348072626.db2.gz XJSITGHHNYDWJV-LLVKDONJSA-N -1 3 294.449 3.046 20 0 CGADHM C[C@H](CCSc1ccccc1)SCCc1nn[n-]n1 ZINC000603341086 348072628 /nfs/dbraw/zinc/07/26/28/348072628.db2.gz XJSITGHHNYDWJV-LLVKDONJSA-N -1 3 294.449 3.046 20 0 CGADHM CC(C)[C@@H](C)C(=O)N=c1cc(-c2cccc(Cl)c2)[n-][nH]1 ZINC000603546891 348089574 /nfs/dbraw/zinc/08/95/74/348089574.db2.gz CRKOOMNPNFODSO-SNVBAGLBSA-N -1 3 291.782 3.383 20 0 CGADHM C[C@H]1c2ccccc2CN1C(=O)c1cccc([O-])c1 ZINC000357314767 232927938 /nfs/dbraw/zinc/92/79/38/232927938.db2.gz YVKIWUKNQMZYQP-NSHDSACASA-N -1 3 253.301 3.109 20 0 CGADHM O=C(N[C@@H]1CC[C@H]2CCCC[C@@H]2C1)c1cccc([O-])c1 ZINC000355398941 295786883 /nfs/dbraw/zinc/78/68/83/295786883.db2.gz KVCVFDFPHKJDKN-UMVBOHGHSA-N -1 3 273.376 3.481 20 0 CGADHM CC1(C)CC[C@@H]1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000612754280 348544154 /nfs/dbraw/zinc/54/41/54/348544154.db2.gz GYRXXNOMPYJQII-SECBINFHSA-N -1 3 253.729 3.420 20 0 CGADHM Cc1cc(C(=O)N(C)C[C@@H](C)c2nccs2)ccc1[O-] ZINC000273439043 192149286 /nfs/dbraw/zinc/14/92/86/192149286.db2.gz FTWCRNSJVIZSTK-LLVKDONJSA-N -1 3 290.388 3.033 20 0 CGADHM O=C(NCc1ccc([O-])c(F)c1)[C@H]1CCCC2(CC2)C1 ZINC000612631733 348536483 /nfs/dbraw/zinc/53/64/83/348536483.db2.gz HVFZNRWGKDVQDM-LBPRGKRZSA-N -1 3 277.339 3.118 20 0 CGADHM Cc1ccn([C@@H](C)CC(=O)Nc2ccc(Cl)cc2[O-])n1 ZINC000613028677 348560190 /nfs/dbraw/zinc/56/01/90/348560190.db2.gz RIPXMNAVPJIRQP-JTQLQIEISA-N -1 3 293.754 3.140 20 0 CGADHM O=C(Nc1cccc([O-])c1F)[C@@H]1CCCC2(CC2)C1 ZINC000613110042 348564726 /nfs/dbraw/zinc/56/47/26/348564726.db2.gz JTRSYPITKIPTNB-SNVBAGLBSA-N -1 3 263.312 3.440 20 0 CGADHM CSc1ccc([O-])c(C(=O)N2CC[C@H](C)[C@H](C)C2)c1 ZINC000613157417 348569274 /nfs/dbraw/zinc/56/92/74/348569274.db2.gz BRYIMMYNDBEPIZ-WDEREUQCSA-N -1 3 279.405 3.232 20 0 CGADHM C[C@H](CC(=O)Nc1ncccc1[O-])CC(C)(C)C ZINC000613182014 348572500 /nfs/dbraw/zinc/57/25/00/348572500.db2.gz DXDRVSNJBAAQLR-SNVBAGLBSA-N -1 3 250.342 3.188 20 0 CGADHM Cc1cccc([O-])c1NC(=O)CCCc1cccnc1 ZINC000613208589 348575376 /nfs/dbraw/zinc/57/53/76/348575376.db2.gz VVGZUZHMWDEFCE-UHFFFAOYSA-N -1 3 270.332 3.057 20 0 CGADHM CSc1ccc([O-])c(C(=O)N[C@H](C)CC(F)(F)F)c1 ZINC000613559553 348618258 /nfs/dbraw/zinc/61/82/58/348618258.db2.gz JGWXEOLVDPVSKF-SSDOTTSWSA-N -1 3 293.310 3.185 20 0 CGADHM C[C@H]1CCN(C(=O)c2ccc(CO)cc2)c2c([O-])cccc21 ZINC000613577633 348620371 /nfs/dbraw/zinc/62/03/71/348620371.db2.gz UXLIBJVHNXFWIT-LBPRGKRZSA-N -1 3 297.354 3.039 20 0 CGADHM CSc1ccc([O-])c(C(=O)N2CCCC[C@@H](C)C2)c1 ZINC000613616125 348622938 /nfs/dbraw/zinc/62/29/38/348622938.db2.gz AMXMFJIONFRGSM-LLVKDONJSA-N -1 3 279.405 3.376 20 0 CGADHM C[C@H](CC(=O)Nc1c([O-])cccc1Cl)[C@@H]1CCCO1 ZINC000615322253 348731959 /nfs/dbraw/zinc/73/19/59/348731959.db2.gz OSAZUAFQQDSXSR-SKDRFNHKSA-N -1 3 283.755 3.189 20 0 CGADHM C[C@@H]1C[C@@H]1c1ccc(CNC(=O)c2ccccc2[O-])o1 ZINC000614755526 348692355 /nfs/dbraw/zinc/69/23/55/348692355.db2.gz YMOXZKUHTJKLHC-MFKMUULPSA-N -1 3 271.316 3.039 20 0 CGADHM CSc1ccc([O-])c(C(=O)N[C@H]2CCCC2(F)F)c1 ZINC000614876840 348697628 /nfs/dbraw/zinc/69/76/28/348697628.db2.gz BTNORIDOJMWZBB-NSHDSACASA-N -1 3 287.331 3.032 20 0 CGADHM CCN=c1[n-]c(C(=O)N(C(C)C)C2CC(C)(C)C2)cs1 ZINC000616153194 348791496 /nfs/dbraw/zinc/79/14/96/348791496.db2.gz DQPVOLRPAOTMPF-UHFFFAOYSA-N -1 3 295.452 3.036 20 0 CGADHM C[C@H]1CCC(C)(C)N1C(=O)c1cc([O-])ccc1Cl ZINC000616165509 348792841 /nfs/dbraw/zinc/79/28/41/348792841.db2.gz RMGKNKWRNBTEHQ-VIFPVBQESA-N -1 3 267.756 3.449 20 0 CGADHM CSc1ccc([O-])c(C(=O)N2CCC23CCCC3)c1 ZINC000616514174 348828273 /nfs/dbraw/zinc/82/82/73/348828273.db2.gz CCOSLUYNMDOOKL-UHFFFAOYSA-N -1 3 277.389 3.273 20 0 CGADHM CC(C)(C(=O)Nc1ccc([O-])cc1Cl)C1CC1 ZINC000616939925 348885181 /nfs/dbraw/zinc/88/51/81/348885181.db2.gz PVNNTWWBGNIMHJ-UHFFFAOYSA-N -1 3 253.729 3.420 20 0 CGADHM O=C(Nc1ccc([O-])cc1Cl)[C@@H]1C[C@H]1C1CCC1 ZINC000616943035 348885789 /nfs/dbraw/zinc/88/57/89/348885789.db2.gz LYPDBFIAHVQSIM-WDEREUQCSA-N -1 3 265.740 3.420 20 0 CGADHM [O-]c1cc(F)cc(CN(CC(F)F)CC2CCC2)c1 ZINC000352011525 219287573 /nfs/dbraw/zinc/28/75/73/219287573.db2.gz RWPRHGWSWCPRAV-UHFFFAOYSA-N -1 3 273.298 3.399 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)[C@H](C)c2ccccc2)o1 ZINC000358598107 233164048 /nfs/dbraw/zinc/16/40/48/233164048.db2.gz USPPWASQXCPQHS-STQMWFEESA-N -1 3 293.388 3.059 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-]CC(C)(C)C2CCCC2)o1 ZINC000358604864 233164401 /nfs/dbraw/zinc/16/44/01/233164401.db2.gz WTQGNZIZLHCWTB-UHFFFAOYSA-N -1 3 285.409 3.083 20 0 CGADHM O=c1cc(C=Cc2cccc(F)c2)nc(-c2ccncc2)[n-]1 ZINC000352009790 219288783 /nfs/dbraw/zinc/28/87/83/219288783.db2.gz YZWGZEFSLONEQE-SNAWJCMRSA-N -1 3 293.301 3.141 20 0 CGADHM O=C(Cc1cc2ccccc2o1)Nc1ccccc1[O-] ZINC000618492149 349091456 /nfs/dbraw/zinc/09/14/56/349091456.db2.gz ZFUZRBLHBWMOKV-UHFFFAOYSA-N -1 3 267.284 3.320 20 0 CGADHM CCc1cc(C(=O)NC[C@@H]2CCC[C@H]3C[C@H]32)ccc1[O-] ZINC000618495307 349092037 /nfs/dbraw/zinc/09/20/37/349092037.db2.gz BYDWGUXFGOGSDW-AEGPPILISA-N -1 3 273.376 3.121 20 0 CGADHM Cc1ccc(CC2CN(C(=O)c3ccccc3[O-])C2)cc1 ZINC000618891538 349177200 /nfs/dbraw/zinc/17/72/00/349177200.db2.gz PBMUSFZOYZTZAP-UHFFFAOYSA-N -1 3 281.355 3.015 20 0 CGADHM COc1cc(C(=O)N[C@@H](C)C2CCC(F)CC2)ccc1[O-] ZINC000619957532 349297324 /nfs/dbraw/zinc/29/73/24/349297324.db2.gz UMUXMDXIVFDQMH-ZBOXLXRLSA-N -1 3 295.354 3.047 20 0 CGADHM COc1ccc([O-])c(C(=O)N2CCC[C@@H](C3CCC3)C2)c1 ZINC000620215157 349342031 /nfs/dbraw/zinc/34/20/31/349342031.db2.gz NJVHFOBZGQNIQP-CYBMUJFWSA-N -1 3 289.375 3.053 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2ccc(-c3cnn(C)c3)s2)n1 ZINC000352035731 219299228 /nfs/dbraw/zinc/29/92/28/219299228.db2.gz UDEJKGZGWKPCIP-XQRVVYSFSA-N -1 3 298.371 3.123 20 0 CGADHM CC(=O)c1ccc(C(=O)NCC(F)(F)C(C)(C)C)cc1[O-] ZINC000620613251 349393869 /nfs/dbraw/zinc/39/38/69/349393869.db2.gz HATWYLFVKLXVEJ-UHFFFAOYSA-N -1 3 299.317 3.006 20 0 CGADHM CN(C[C@H]1CCc2ccccc21)C(=O)c1cccc([O-])c1 ZINC000620681414 349409889 /nfs/dbraw/zinc/40/98/89/349409889.db2.gz FLCGZFWEZDODKC-OAHLLOKOSA-N -1 3 281.355 3.194 20 0 CGADHM C[C@H]1CCSCCN1Cc1cc([O-])ccc1Cl ZINC000625368687 350165024 /nfs/dbraw/zinc/16/50/24/350165024.db2.gz JEPMKBXCHCHQNW-JTQLQIEISA-N -1 3 271.813 3.373 20 0 CGADHM CC[C@](C)(NC(=O)c1c(C)cccc1[O-])c1nccs1 ZINC000625755070 350207451 /nfs/dbraw/zinc/20/74/51/350207451.db2.gz SZCWIRQYJCDSAA-HNNXBMFYSA-N -1 3 290.388 3.212 20 0 CGADHM C/C=C/C[C@H]1CCCN(Cc2cc(C(=O)[O-])co2)C1 ZINC000625971726 350238847 /nfs/dbraw/zinc/23/88/47/350238847.db2.gz WYMWIYCRTXLHLB-JDGPPOGSSA-N -1 3 263.337 3.156 20 0 CGADHM CC[C@H](C)n1ncc(NC(=O)c2c(C)cccc2[O-])c1C ZINC000626641310 350326581 /nfs/dbraw/zinc/32/65/81/350326581.db2.gz POXBILMXEUNWQS-NSHDSACASA-N -1 3 287.363 3.429 20 0 CGADHM Cc1cccc([O-])c1C(=O)Nc1cc(C2CCCC2)nn1C ZINC000626414674 350304075 /nfs/dbraw/zinc/30/40/75/350304075.db2.gz YRQWWYHBCATVOV-UHFFFAOYSA-N -1 3 299.374 3.344 20 0 CGADHM Cc1cccc([O-])c1C(=O)N(C)C[C@H](C)c1nccs1 ZINC000626441737 350307033 /nfs/dbraw/zinc/30/70/33/350307033.db2.gz AOACAJSRHXRHLM-NSHDSACASA-N -1 3 290.388 3.033 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CC=C(C(F)(F)F)CC1 ZINC000626274733 350291160 /nfs/dbraw/zinc/29/11/60/350291160.db2.gz YHKIOHOHACUDFW-UHFFFAOYSA-N -1 3 285.265 3.035 20 0 CGADHM Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)c1c(C)cccc1[O-] ZINC000626291881 350292364 /nfs/dbraw/zinc/29/23/64/350292364.db2.gz ZDUNMZCGULPYLM-ZDUSSCGKSA-N -1 3 299.374 3.018 20 0 CGADHM Cc1cccc([O-])c1C(=O)NC1CCC2(CC2)CC1 ZINC000626669192 350331100 /nfs/dbraw/zinc/33/11/00/350331100.db2.gz RFCAVUZETXJBPG-UHFFFAOYSA-N -1 3 259.349 3.153 20 0 CGADHM Cc1cccc([O-])c1C(=O)NCC(C)(C)CC(F)(F)F ZINC000628173481 350422287 /nfs/dbraw/zinc/42/22/87/350422287.db2.gz XMBRCZPVHFLLDK-UHFFFAOYSA-N -1 3 289.297 3.409 20 0 CGADHM CC1(C)[C@@H](c2ccccc2)[C@@H]1NC(=O)c1cccc([O-])c1 ZINC000628460605 350544189 /nfs/dbraw/zinc/54/41/89/350544189.db2.gz FNLOMVOWCYUHQH-HOTGVXAUSA-N -1 3 281.355 3.314 20 0 CGADHM CC1(C)CCC(C)(C)N(C(=O)c2cccc([O-])c2)C1 ZINC000628531581 350566942 /nfs/dbraw/zinc/56/69/42/350566942.db2.gz XDLYRBKPIMYMJH-UHFFFAOYSA-N -1 3 261.365 3.433 20 0 CGADHM O=C(NCc1ncccc1[O-])c1cc(F)c2ccccc2c1 ZINC000352220748 219370369 /nfs/dbraw/zinc/37/03/69/219370369.db2.gz JJBQUZQKQWSLCC-UHFFFAOYSA-N -1 3 296.301 3.010 20 0 CGADHM CCc1cc2c([n-]c([C@@H]3CC[C@H](C)O3)nc2=O)s1 ZINC000630384736 350830312 /nfs/dbraw/zinc/83/03/12/350830312.db2.gz GQEIFMJFIHUJGT-XVKPBYJWSA-N -1 3 264.350 3.199 20 0 CGADHM CC(C)c1cnc(S(=O)(=O)[C@@H](C)c2ccc(F)cc2)[n-]1 ZINC000630433006 350839277 /nfs/dbraw/zinc/83/92/77/350839277.db2.gz ZHCSPVBMWLJYIW-JTQLQIEISA-N -1 3 296.367 3.207 20 0 CGADHM CC(C)c1c[n-]c(S(=O)(=O)[C@@H](C)c2ccc(F)cc2)n1 ZINC000630433006 350839279 /nfs/dbraw/zinc/83/92/79/350839279.db2.gz ZHCSPVBMWLJYIW-JTQLQIEISA-N -1 3 296.367 3.207 20 0 CGADHM CCCCc1nnc([N-]C(=O)c2coc(SC)c2)s1 ZINC000630800143 350889887 /nfs/dbraw/zinc/88/98/87/350889887.db2.gz XVWMEAAXXXDCMF-UHFFFAOYSA-N -1 3 297.405 3.448 20 0 CGADHM CC[C@H](C)Cc1noc(-c2cc(OC)ccc2[O-])n1 ZINC000632247750 351184992 /nfs/dbraw/zinc/18/49/92/351184992.db2.gz AHTLQAOKHVVQGU-VIFPVBQESA-N -1 3 262.309 3.039 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CCC[C@@H](c3cccnc3)C2)c1 ZINC000633543278 351320099 /nfs/dbraw/zinc/32/00/99/351320099.db2.gz NDPMLVNYLWULDW-OAHLLOKOSA-N -1 3 296.370 3.115 20 0 CGADHM CCc1cc(C(=O)N[C@H]2CCCC23CC3)ccc1[O-] ZINC000633779382 351369141 /nfs/dbraw/zinc/36/91/41/351369141.db2.gz PNQGLYYIGGKAED-AWEZNQCLSA-N -1 3 259.349 3.017 20 0 CGADHM CC(C)c1c(-c2ccccc2)[n-]n(C23CC(C2)C3)c1=O ZINC000634624614 351549157 /nfs/dbraw/zinc/54/91/57/351549157.db2.gz LTEXTXZQPAUDIK-TVIZTDCDSA-N -1 3 268.360 3.058 20 0 CGADHM CCc1cc(C(=O)Nc2ccnn2[C@@H](C)C2CC2)ccc1[O-] ZINC000291498112 198038154 /nfs/dbraw/zinc/03/81/54/198038154.db2.gz MIWFILXHTZUPBW-NSHDSACASA-N -1 3 299.374 3.374 20 0 CGADHM Cc1ccc(C(=O)N(C)[C@H](C)C2(C)CC2)c([O-])c1C ZINC000271443621 191140617 /nfs/dbraw/zinc/14/06/17/191140617.db2.gz VTWRPIHIOVIDTC-GFCCVEGCSA-N -1 3 261.365 3.270 20 0 CGADHM Cc1ccnc([C@H](C)NC(=O)c2ccc(C(C)C)cc2[O-])n1 ZINC000636038309 351716031 /nfs/dbraw/zinc/71/60/31/351716031.db2.gz AWMDUZTZTDUHJD-LBPRGKRZSA-N -1 3 299.374 3.105 20 0 CGADHM CC(C)(C)n1cnc(C(=O)[N-]c2cscc2Cl)n1 ZINC000636437744 351760844 /nfs/dbraw/zinc/76/08/44/351760844.db2.gz AXRFXYQWJDDTBU-UHFFFAOYSA-N -1 3 284.772 3.000 20 0 CGADHM C[C@H]1CCC[C@@H](C(=O)Nc2ccc([O-])cc2F)C1 ZINC000121839666 187000248 /nfs/dbraw/zinc/00/02/48/187000248.db2.gz JEWGYFYOPKNNDW-VHSXEESVSA-N -1 3 251.301 3.296 20 0 CGADHM CC(C)c1cc(C(=O)N2CCOCC2)c([O-])c(C(C)C)c1 ZINC000122288891 187024773 /nfs/dbraw/zinc/02/47/73/187024773.db2.gz CMTDCTUKHUHZIF-UHFFFAOYSA-N -1 3 291.391 3.111 20 0 CGADHM CCCc1nc(C)c(CNCc2cc([O-])cc(F)c2)o1 ZINC000291753950 198081513 /nfs/dbraw/zinc/08/15/13/198081513.db2.gz QOMNEUJZSQTSPW-UHFFFAOYSA-N -1 3 278.327 3.070 20 0 CGADHM CCN(C(=O)c1cccc(C)c1[O-])[C@H]1CCOC(C)(C)C1 ZINC000291764239 198084061 /nfs/dbraw/zinc/08/40/61/198084061.db2.gz ZSJRGBCSCQHOCW-ZDUSSCGKSA-N -1 3 291.391 3.120 20 0 CGADHM CCc1cc(C(=O)N2CC(C)(C)[C@H]2C2CC2)ccc1[O-] ZINC000291892589 198097944 /nfs/dbraw/zinc/09/79/44/198097944.db2.gz JVDMRROXHRVPPN-OAHLLOKOSA-N -1 3 273.376 3.215 20 0 CGADHM CCCC1(C(=O)Nc2n[n-]c(-c3ccccc3F)n2)CC1 ZINC000352294935 219396540 /nfs/dbraw/zinc/39/65/40/219396540.db2.gz NKGRLAJJMQSHQW-UHFFFAOYSA-N -1 3 288.326 3.130 20 0 CGADHM C[C@H]1C(=O)CC[C@H](C(=O)Nc2ccc([O-])cc2F)C1(C)C ZINC000336477593 213348776 /nfs/dbraw/zinc/34/87/76/213348776.db2.gz BEIMXJRSEHBVSY-GXSJLCMTSA-N -1 3 293.338 3.111 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)[C@@H]2CC23CCOCC3)c1[O-] ZINC000365788609 234128439 /nfs/dbraw/zinc/12/84/39/234128439.db2.gz UQXJEQBLUOQOMT-NSHDSACASA-N -1 3 295.766 3.109 20 0 CGADHM CC[C@@H](SC)C(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000153379325 188078655 /nfs/dbraw/zinc/07/86/55/188078655.db2.gz BSPGLMJBQKZTQC-SNVBAGLBSA-N -1 3 293.310 3.491 20 0 CGADHM CC[C@H](SC)C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000153479745 188084559 /nfs/dbraw/zinc/08/45/59/188084559.db2.gz RDYPICSYYXSBJF-JTQLQIEISA-N -1 3 273.785 3.434 20 0 CGADHM Cc1ccc(CN[C@@H](C(=O)[O-])c2ccccc2)cc1C ZINC000050509835 137913610 /nfs/dbraw/zinc/91/36/10/137913610.db2.gz NPYJBHQATDHNLE-MRXNPFEDSA-N -1 3 269.344 3.219 20 0 CGADHM [O-]C(=NO[C@H]1CCCCO1)Nc1ccc(Cl)c(F)c1 ZINC000155755878 188226314 /nfs/dbraw/zinc/22/63/14/188226314.db2.gz PXAXAXCDNVLKMR-NSHDSACASA-N -1 3 288.706 3.059 20 0 CGADHM O=C([N-]O[C@H]1CCCCO1)Nc1ccc(Cl)c(F)c1 ZINC000155755878 188226316 /nfs/dbraw/zinc/22/63/16/188226316.db2.gz PXAXAXCDNVLKMR-NSHDSACASA-N -1 3 288.706 3.059 20 0 CGADHM O=C(/C=C/c1ccc2[nH]ccc2c1)[N-]OC1CCCC1 ZINC000271753946 191306770 /nfs/dbraw/zinc/30/67/70/191306770.db2.gz LFIBSEKFHUEVQH-SOFGYWHQSA-N -1 3 270.332 3.172 20 0 CGADHM CSc1ccccc1NC([O-])=NOC1CCCC1 ZINC000271759701 191309523 /nfs/dbraw/zinc/30/95/23/191309523.db2.gz CNASOSKQWFZPIP-UHFFFAOYSA-N -1 3 266.366 3.404 20 0 CGADHM CSc1ccccc1NC(=O)[N-]OC1CCCC1 ZINC000271759701 191309526 /nfs/dbraw/zinc/30/95/26/191309526.db2.gz CNASOSKQWFZPIP-UHFFFAOYSA-N -1 3 266.366 3.404 20 0 CGADHM CC1CCC(NCc2c(F)ccc([O-])c2F)CC1 ZINC000352490186 219477277 /nfs/dbraw/zinc/47/72/77/219477277.db2.gz GVDIRQXESOMYHD-UHFFFAOYSA-N -1 3 255.308 3.339 20 0 CGADHM O=C(c1cc([O-])ccc1Cl)N1CCC[C@H]1C1CCC1 ZINC000377908690 234894982 /nfs/dbraw/zinc/89/49/82/234894982.db2.gz UFKITURJCJESSH-AWEZNQCLSA-N -1 3 279.767 3.450 20 0 CGADHM COCC(C)(C)CC(=O)Nc1ccc(Cl)cc1[O-] ZINC000412222833 235140502 /nfs/dbraw/zinc/14/05/02/235140502.db2.gz XNXXQEDXQUKRPT-UHFFFAOYSA-N -1 3 271.744 3.047 20 0 CGADHM COc1ccccc1[C@@H](C)CC(=O)[N-]OC1CCCC1 ZINC000271827501 191352953 /nfs/dbraw/zinc/35/29/53/191352953.db2.gz WNDDIVGWHUEHKL-LBPRGKRZSA-N -1 3 277.364 3.179 20 0 CGADHM COc1ccccc1C[C@@H](C)CC(=O)[N-]OC1CCCC1 ZINC000271847742 191363634 /nfs/dbraw/zinc/36/36/34/191363634.db2.gz ZJJIOZMPZLPHHE-CYBMUJFWSA-N -1 3 291.391 3.254 20 0 CGADHM CCCc1cnc([N-]C(=O)c2cc(C(C)C)no2)s1 ZINC000271866201 191377822 /nfs/dbraw/zinc/37/78/22/191377822.db2.gz MSOUKVOKGLPYGK-UHFFFAOYSA-N -1 3 279.365 3.459 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)c1c(Cl)cncc1Cl ZINC000293802997 198778613 /nfs/dbraw/zinc/77/86/13/198778613.db2.gz TTXTUOZZZQOTMM-ZETCQYMHSA-N -1 3 277.151 3.096 20 0 CGADHM O=C(Nc1cccc([O-])c1F)[C@@H]1CCCCCC(=O)C1 ZINC000336310074 213152081 /nfs/dbraw/zinc/15/20/81/213152081.db2.gz VRRITGFHEDMKPK-SNVBAGLBSA-N -1 3 279.311 3.009 20 0 CGADHM CCCOc1cccc(CCNC(=O)c2cccc([O-])c2)c1 ZINC000182847207 138432355 /nfs/dbraw/zinc/43/23/55/138432355.db2.gz IRLTXGXAFLAXAA-UHFFFAOYSA-N -1 3 299.370 3.154 20 0 CGADHM Cc1cc(F)c(CNC[C@H]2CC[C@H](C(=O)[O-])CC2)c(F)c1 ZINC000424619600 236172817 /nfs/dbraw/zinc/17/28/17/236172817.db2.gz NLDRMQXONRKHSU-HAQNSBGRSA-N -1 3 297.345 3.254 20 0 CGADHM C[C@]1(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)C[C@@H]1F ZINC000424733492 236185693 /nfs/dbraw/zinc/18/56/93/236185693.db2.gz INHLAKIKAOJSNV-ONGXEEELSA-N -1 3 277.217 3.098 20 0 CGADHM O=C(CCc1ccc2ccccc2c1[O-])N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000425161587 236218627 /nfs/dbraw/zinc/21/86/27/236218627.db2.gz TZLDCDSZMFKACF-MUJYYYPQSA-N -1 3 295.382 3.393 20 0 CGADHM C[C@H](CCCCC(=O)[O-])NCc1ccccc1Cl ZINC000426670507 236305492 /nfs/dbraw/zinc/30/54/92/236305492.db2.gz RNGOCWYRMSTPSM-LLVKDONJSA-N -1 3 269.772 3.463 20 0 CGADHM O=C([O-])[C@H](NCc1cc2c(cccc2F)[nH]1)c1ccccc1 ZINC000426781553 236313537 /nfs/dbraw/zinc/31/35/37/236313537.db2.gz CQGDGTQMVFYWPK-MRXNPFEDSA-N -1 3 298.317 3.223 20 0 CGADHM [O-]c1ccc(F)c(CN2CCCC3(CC3)C2)c1F ZINC000294723619 199152387 /nfs/dbraw/zinc/15/23/87/199152387.db2.gz PONHEFGDOCRSSL-UHFFFAOYSA-N -1 3 253.292 3.046 20 0 CGADHM [O-]c1cccc(CN2CCC[C@H]2[C@H]2CCCO2)c1Cl ZINC000294819921 199198222 /nfs/dbraw/zinc/19/82/22/199198222.db2.gz XMZABVPHUGZROD-GXTWGEPZSA-N -1 3 281.783 3.189 20 0 CGADHM C[C@H]1CCCN1C(=O)CCc1ccc2ccccc2c1[O-] ZINC000294855572 199215870 /nfs/dbraw/zinc/21/58/70/199215870.db2.gz FXWKGPXEPKUNDZ-ZDUSSCGKSA-N -1 3 283.371 3.489 20 0 CGADHM Cc1ccc(NC(=O)c2ccc(-c3cc[nH]n3)s2)c([O-])c1 ZINC000431200568 236625784 /nfs/dbraw/zinc/62/57/84/236625784.db2.gz ZVLBTESEKZSODM-UHFFFAOYSA-N -1 3 299.355 3.405 20 0 CGADHM CCCc1cnc([N-]C(=O)c2ncc(F)cc2F)s1 ZINC000190605843 535444791 /nfs/dbraw/zinc/44/47/91/535444791.db2.gz MOLIVKDUCSYXCQ-UHFFFAOYSA-N -1 3 283.303 3.021 20 0 CGADHM CCc1occc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000435798081 236984441 /nfs/dbraw/zinc/98/44/41/236984441.db2.gz MGAQUSXQBBVDDJ-UHFFFAOYSA-N -1 3 265.696 3.453 20 0 CGADHM [O-]c1cccc(/C=C/c2nc(CCc3ccco3)no2)c1 ZINC000435956674 237007995 /nfs/dbraw/zinc/00/79/95/237007995.db2.gz IZIRQUQOGRRDPM-RMKNXTFCSA-N -1 3 282.299 3.324 20 0 CGADHM Cc1nc(Cc2nc(-c3ccc([O-])cc3)no2)c(C)s1 ZINC000436536942 237122353 /nfs/dbraw/zinc/12/23/53/237122353.db2.gz WMWBUUWFVRBENI-UHFFFAOYSA-N -1 3 287.344 3.106 20 0 CGADHM O=C(NCc1ccc2ccccc2c1)c1ccc(O)cc1[O-] ZINC000436673035 237156594 /nfs/dbraw/zinc/15/65/94/237156594.db2.gz IIVMUHPDTSIIKM-UHFFFAOYSA-N -1 3 293.322 3.181 20 0 CGADHM C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=O)c1ccccc1[O-] ZINC000436576245 237132977 /nfs/dbraw/zinc/13/29/77/237132977.db2.gz OVKNNLPXFMQXEY-GDBMZVCRSA-N -1 3 295.382 3.486 20 0 CGADHM COc1ccc(C[C@@H](C)CNC(=O)c2ccccc2[O-])cc1 ZINC000436817760 237186310 /nfs/dbraw/zinc/18/63/10/237186310.db2.gz CFTMVZHNXYBWAB-CYBMUJFWSA-N -1 3 299.370 3.009 20 0 CGADHM Cc1ccc([O-])c(C(=O)N[C@@H](C)c2ccc3n[nH]cc3c2)c1 ZINC000436697734 237160919 /nfs/dbraw/zinc/16/09/19/237160919.db2.gz KSHMGKNWBANUQB-NSHDSACASA-N -1 3 295.342 3.068 20 0 CGADHM Cc1cc(C(=O)NC[C@H](C)Cc2cccs2)ccc1[O-] ZINC000436938968 237218596 /nfs/dbraw/zinc/21/85/96/237218596.db2.gz WZQBLAGKACFYKR-LLVKDONJSA-N -1 3 289.400 3.371 20 0 CGADHM COC1(CCNC(=O)c2ccc(C(C)C)cc2[O-])CCC1 ZINC000436957166 237221425 /nfs/dbraw/zinc/22/14/25/237221425.db2.gz SGVZIAJLRVAXIF-UHFFFAOYSA-N -1 3 291.391 3.205 20 0 CGADHM Cc1ncsc1/C=C/c1nc(-c2ccc([O-])cc2)no1 ZINC000436870583 237198630 /nfs/dbraw/zinc/19/86/30/237198630.db2.gz NVWRRFZOEWSJAX-VOTSOKGWSA-N -1 3 285.328 3.378 20 0 CGADHM Cc1cccc(NC([O-])=NOC(C)C)c1Br ZINC000296965314 200048178 /nfs/dbraw/zinc/04/81/78/200048178.db2.gz SBCIXMLYXJMAPM-UHFFFAOYSA-N -1 3 287.157 3.219 20 0 CGADHM Cc1cccc(NC(=O)[N-]OC(C)C)c1Br ZINC000296965314 200048180 /nfs/dbraw/zinc/04/81/80/200048180.db2.gz SBCIXMLYXJMAPM-UHFFFAOYSA-N -1 3 287.157 3.219 20 0 CGADHM Cc1cccc(C(=O)N[C@H](c2ccccc2)C(F)F)c1[O-] ZINC000436889652 237205713 /nfs/dbraw/zinc/20/57/13/237205713.db2.gz WVPLXOTXQURLLK-CYBMUJFWSA-N -1 3 291.297 3.437 20 0 CGADHM Cc1cc(C(=O)N[C@H]2CCO[C@@H](CC(C)C)C2)ccc1[O-] ZINC000436940052 237216150 /nfs/dbraw/zinc/21/61/50/237216150.db2.gz SWNZZDDTZSYPQL-GJZGRUSLSA-N -1 3 291.391 3.024 20 0 CGADHM Cc1cc(C(=O)N2CC[C@@H](C)C3(CCC3)C2)ccc1[O-] ZINC000436941061 237217267 /nfs/dbraw/zinc/21/72/67/237217267.db2.gz ZVLWVQYCVZFCAF-CYBMUJFWSA-N -1 3 273.376 3.353 20 0 CGADHM O=C(N[C@@H]1C[C@H]1c1cccc(Cl)c1)c1ccccc1[O-] ZINC000437219304 237263795 /nfs/dbraw/zinc/26/37/95/237263795.db2.gz NQVUDIVXHJHVRV-UONOGXRCSA-N -1 3 287.746 3.332 20 0 CGADHM Cc1c(Cl)cncc1NC([O-])=NOCCC(F)(F)F ZINC000297224252 200119527 /nfs/dbraw/zinc/11/95/27/200119527.db2.gz WDPRECLAFLKJBP-UHFFFAOYSA-N -1 3 297.664 3.049 20 0 CGADHM Cc1c(Cl)cncc1NC(=O)[N-]OCCC(F)(F)F ZINC000297224252 200119529 /nfs/dbraw/zinc/11/95/29/200119529.db2.gz WDPRECLAFLKJBP-UHFFFAOYSA-N -1 3 297.664 3.049 20 0 CGADHM Cc1noc(-c2ccccc2)c1NC([O-])=NOC(C)C ZINC000297329589 200151238 /nfs/dbraw/zinc/15/12/38/200151238.db2.gz YSVHYKVQBCVUAG-UHFFFAOYSA-N -1 3 275.308 3.112 20 0 CGADHM Cc1noc(-c2ccccc2)c1NC(=O)[N-]OC(C)C ZINC000297329589 200151240 /nfs/dbraw/zinc/15/12/40/200151240.db2.gz YSVHYKVQBCVUAG-UHFFFAOYSA-N -1 3 275.308 3.112 20 0 CGADHM Cc1ccc(NC([O-])=NOC(C)C)c(Br)c1 ZINC000297505720 200213274 /nfs/dbraw/zinc/21/32/74/200213274.db2.gz QQSYNTJPMJHPOE-UHFFFAOYSA-N -1 3 287.157 3.219 20 0 CGADHM Cc1ccc(NC(=O)[N-]OC(C)C)c(Br)c1 ZINC000297505720 200213275 /nfs/dbraw/zinc/21/32/75/200213275.db2.gz QQSYNTJPMJHPOE-UHFFFAOYSA-N -1 3 287.157 3.219 20 0 CGADHM O=C(CCc1ccc2ccccc2c1O)[N-]OC1CCCC1 ZINC000297483897 200205843 /nfs/dbraw/zinc/20/58/43/200205843.db2.gz LYJGCNZOWJUGIJ-UHFFFAOYSA-N -1 3 299.370 3.468 20 0 CGADHM CC[C@@]1(C)Oc2ccc(NC(=O)[N-]OCC3CC3)cc2O1 ZINC000297687696 200261558 /nfs/dbraw/zinc/26/15/58/200261558.db2.gz GQZIVMAIILJQTA-HNNXBMFYSA-N -1 3 292.335 3.047 20 0 CGADHM O=C(C[C@@H]1CCCc2ccccc21)[N-]OCc1cccnc1 ZINC000178679990 189137288 /nfs/dbraw/zinc/13/72/88/189137288.db2.gz ZUALMZXWPAOQRH-INIZCTEOSA-N -1 3 296.370 3.140 20 0 CGADHM CCCc1cnc(NC([O-])=NOCc2ccccc2)s1 ZINC000180822190 189277532 /nfs/dbraw/zinc/27/75/32/189277532.db2.gz RTSFMOWEDKIDQE-UHFFFAOYSA-N -1 3 291.376 3.349 20 0 CGADHM CCCc1cnc(NC(=O)[N-]OCc2ccccc2)s1 ZINC000180822190 189277533 /nfs/dbraw/zinc/27/75/33/189277533.db2.gz RTSFMOWEDKIDQE-UHFFFAOYSA-N -1 3 291.376 3.349 20 0 CGADHM CC(C)c1cccc(NC([O-])=NOCc2cccnc2)c1 ZINC000182896353 189339148 /nfs/dbraw/zinc/33/91/48/189339148.db2.gz AUMLWQKOZXSBBN-UHFFFAOYSA-N -1 3 285.347 3.458 20 0 CGADHM CC(C)c1cccc(NC(=O)[N-]OCc2cccnc2)c1 ZINC000182896353 189339149 /nfs/dbraw/zinc/33/91/49/189339149.db2.gz AUMLWQKOZXSBBN-UHFFFAOYSA-N -1 3 285.347 3.458 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CC(c3ccccc3F)C2)c1 ZINC000336364020 213213537 /nfs/dbraw/zinc/21/35/37/213213537.db2.gz SYJKWAQNZKDUPV-UHFFFAOYSA-N -1 3 285.318 3.079 20 0 CGADHM CC(C)c1ccc(C(=O)N2CCC[C@H]2c2ncc[nH]2)c([O-])c1 ZINC000335666149 212384810 /nfs/dbraw/zinc/38/48/10/212384810.db2.gz SKKUNXCIJHLHLO-AWEZNQCLSA-N -1 3 299.374 3.216 20 0 CGADHM O=[S@](C[C@H]1CCCCC1(F)F)c1ccc([O-])cc1 ZINC000335634330 212348179 /nfs/dbraw/zinc/34/81/79/212348179.db2.gz ZFRJDXIDDLZWNC-MLCYQJTMSA-N -1 3 274.332 3.325 20 0 CGADHM Cc1csc(S(=O)(=O)[N-][C@H](C)c2ccccc2C)c1 ZINC000450982245 240179225 /nfs/dbraw/zinc/17/92/25/240179225.db2.gz BMNOAVXYYWPGQV-GFCCVEGCSA-N -1 3 295.429 3.404 20 0 CGADHM Cc1csc(S(=O)(=O)[N-][C@@H]2CCC23CCCC3)c1 ZINC000451465576 240307837 /nfs/dbraw/zinc/30/78/37/240307837.db2.gz MZWSUOPXQZMRFI-LLVKDONJSA-N -1 3 285.434 3.058 20 0 CGADHM O=C(CCc1ccc2ccccc2c1[O-])NCCCCF ZINC000451887084 240375312 /nfs/dbraw/zinc/37/53/12/240375312.db2.gz ZPDNFZYMRKVLKW-UHFFFAOYSA-N -1 3 289.350 3.344 20 0 CGADHM CCCC[C@H](C)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000275708187 193110544 /nfs/dbraw/zinc/11/05/44/193110544.db2.gz RFDDAOBNIXZERD-JTQLQIEISA-N -1 3 279.409 3.407 20 0 CGADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@H]1CC12CC2 ZINC000335558294 212265779 /nfs/dbraw/zinc/26/57/79/212265779.db2.gz JKNHBFLQJGBLQU-MRVPVSSYSA-N -1 3 296.164 3.202 20 0 CGADHM Cc1cccc(NC(=O)NCc2ccc([O-])c(F)c2)c1 ZINC000121439757 370861535 /nfs/dbraw/zinc/86/15/35/370861535.db2.gz MPLPZRGFCUEREE-UHFFFAOYSA-N -1 3 274.295 3.161 20 0 CGADHM CN(Cc1cccc([O-])c1Br)CC1CCC1 ZINC000459284600 242052705 /nfs/dbraw/zinc/05/27/05/242052705.db2.gz TVJVERGQCXRNKX-UHFFFAOYSA-N -1 3 284.197 3.387 20 0 CGADHM C[C@H]1Cc2ccccc2CN1Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459348152 242082304 /nfs/dbraw/zinc/08/23/04/242082304.db2.gz WKSUGMKSSHIQGL-LBPRGKRZSA-N -1 3 295.386 3.006 20 0 CGADHM CC1=CCCN(Cc2cc(=O)[n-]c(-c3ccccc3)n2)C1 ZINC000459436254 242108389 /nfs/dbraw/zinc/10/83/89/242108389.db2.gz FSIWSHDPNLQDRY-UHFFFAOYSA-N -1 3 281.359 3.001 20 0 CGADHM [O-]c1cccc(CNC[C@@H]2C[C@H]2C2CC2)c1Br ZINC000459567968 242133326 /nfs/dbraw/zinc/13/33/26/242133326.db2.gz ZBEMGVUDKOLOIO-RYUDHWBXSA-N -1 3 296.208 3.290 20 0 CGADHM CO[C@H]1C[C@H](NCc2cccc([O-])c2Cl)C12CCC2 ZINC000459732395 242197362 /nfs/dbraw/zinc/19/73/62/242197362.db2.gz FWYPFEDJLQYIDH-STQMWFEESA-N -1 3 281.783 3.093 20 0 CGADHM CC(C)=CC[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000462081684 242328379 /nfs/dbraw/zinc/32/83/79/242328379.db2.gz UFHSMGUKQKEAKQ-UHFFFAOYSA-N -1 3 299.339 3.011 20 0 CGADHM C[C@H]1CC[C@H](CNCc2c(F)ccc([O-])c2F)C1 ZINC000353269800 220000703 /nfs/dbraw/zinc/00/07/03/220000703.db2.gz VRBZIIRGPFCWEK-UWVGGRQHSA-N -1 3 255.308 3.196 20 0 CGADHM O=C(N[C@H]1CCC[C@H](F)C1)c1cc([O-])ccc1Cl ZINC000335524039 212213454 /nfs/dbraw/zinc/21/34/54/212213454.db2.gz YCUMHDFXCWPMAG-IUCAKERBSA-N -1 3 271.719 3.056 20 0 CGADHM CC[C@H]1CCCC[C@@H]1C(=O)NCc1ccc([O-])c(F)c1 ZINC000476391762 243011913 /nfs/dbraw/zinc/01/19/13/243011913.db2.gz SVEPMWNUWGCIDN-STQMWFEESA-N -1 3 279.355 3.364 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2cc3c[nH]nc3cc2C)c1 ZINC000481320494 243187349 /nfs/dbraw/zinc/18/73/49/243187349.db2.gz IODNUDOWTXCNLY-UHFFFAOYSA-N -1 3 295.342 3.392 20 0 CGADHM Cc1ccc(C=Cc2cc(=O)[n-]c(-c3ccncc3)n2)cc1 ZINC000486107187 243353147 /nfs/dbraw/zinc/35/31/47/243353147.db2.gz WYFMGSKZRSRJFD-VOTSOKGWSA-N -1 3 289.338 3.311 20 0 CGADHM CCC[C@H](NC(=O)c1ccc2n[n-]nc2c1)c1ccccc1 ZINC000016498308 368713455 /nfs/dbraw/zinc/71/34/55/368713455.db2.gz RHBOERYFMYVPJT-AWEZNQCLSA-N -1 3 294.358 3.229 20 0 CGADHM COc1cccc(C(=O)Nc2ccc3c(c2)CCC3)c1[O-] ZINC000019838641 368769666 /nfs/dbraw/zinc/76/96/66/368769666.db2.gz XZMMQBNZVLXMFT-UHFFFAOYSA-N -1 3 283.327 3.142 20 0 CGADHM COc1cc(C(=O)N2C[C@H](C)[C@@H]3CCCC[C@H]32)ccc1[O-] ZINC000276029801 193193533 /nfs/dbraw/zinc/19/35/33/193193533.db2.gz UHSYRTGUINSMTH-FPMFFAJLSA-N -1 3 289.375 3.052 20 0 CGADHM Cc1cc2cc[nH]c2cc1NC(=O)/C=C\c1cncc([O-])c1 ZINC000492681666 244006232 /nfs/dbraw/zinc/00/62/32/244006232.db2.gz RMBLLDOLJYSXIR-IHWYPQMZSA-N -1 3 293.326 3.229 20 0 CGADHM Cc1ccccc1/C=C\C(=O)Nc1ccc([O-])cc1F ZINC000492687548 244006995 /nfs/dbraw/zinc/00/69/95/244006995.db2.gz NLDFTVSWYLHBKJ-TWGQIWQCSA-N -1 3 271.291 3.492 20 0 CGADHM Cc1ccc(/C=C\C(=O)Nc2c(C)cccc2[O-])cn1 ZINC000492939258 244055637 /nfs/dbraw/zinc/05/56/37/244055637.db2.gz CLPPUINNXLSUSI-HJWRWDBZSA-N -1 3 268.316 3.056 20 0 CGADHM COc1c(C)ccc(NC(=O)/C=C\c2cncc([O-])c2)c1C ZINC000493585504 244191622 /nfs/dbraw/zinc/19/16/22/244191622.db2.gz OCBRXTKWSWYGTK-ALCCZGGFSA-N -1 3 298.342 3.065 20 0 CGADHM CCNc1cc(C)ccc1NC(=O)/C=C\c1cncc([O-])c1 ZINC000493774454 244229653 /nfs/dbraw/zinc/22/96/53/244229653.db2.gz ZMJSJSNKXRUYHZ-ALCCZGGFSA-N -1 3 297.358 3.179 20 0 CGADHM CCC1CCC(N(C)C(=O)c2cccc([O-])c2)CC1 ZINC000049024945 369382572 /nfs/dbraw/zinc/38/25/72/369382572.db2.gz VVKJCFJGRJNFKP-UHFFFAOYSA-N -1 3 261.365 3.433 20 0 CGADHM CCN(C)[C@H](C(=O)Nc1ccccc1[O-])c1ccccc1 ZINC000057911432 369550534 /nfs/dbraw/zinc/55/05/34/369550534.db2.gz JAUSIFXXTJVAMR-INIZCTEOSA-N -1 3 284.359 3.024 20 0 CGADHM C[C@]1(C(=O)[O-])CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000062876820 369631884 /nfs/dbraw/zinc/63/18/84/369631884.db2.gz NNJCHBQVIHZYFK-AWEZNQCLSA-N -1 3 285.746 3.166 20 0 CGADHM C[C@@H](CC1CCCC1)C(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000114327774 370498592 /nfs/dbraw/zinc/49/85/92/370498592.db2.gz HDBQSPWUCMSEBL-JTQLQIEISA-N -1 3 288.351 3.220 20 0 CGADHM C[C@@H](CC1CCCC1)C(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000114327774 370498599 /nfs/dbraw/zinc/49/85/99/370498599.db2.gz HDBQSPWUCMSEBL-JTQLQIEISA-N -1 3 288.351 3.220 20 0 CGADHM C[C@@H](CC1CCCC1)C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000114327774 370498606 /nfs/dbraw/zinc/49/86/06/370498606.db2.gz HDBQSPWUCMSEBL-JTQLQIEISA-N -1 3 288.351 3.220 20 0 CGADHM C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)c1ccccc1[O-] ZINC000115143542 370524564 /nfs/dbraw/zinc/52/45/64/370524564.db2.gz ZFIZRCKKIWATAF-HIFRSBDPSA-N -1 3 281.355 3.410 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)CCc2ccccn2)c1[O-] ZINC000116978579 370576109 /nfs/dbraw/zinc/57/61/09/370576109.db2.gz LTQDAPKFPHYGLT-UHFFFAOYSA-N -1 3 290.750 3.320 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)c2ccncc2)c1[O-] ZINC000116980431 370576726 /nfs/dbraw/zinc/57/67/26/370576726.db2.gz WAOUSAJNIOOJRI-UHFFFAOYSA-N -1 3 262.696 3.001 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)C2=C(C)OCCC2)c1[O-] ZINC000131823827 371131939 /nfs/dbraw/zinc/13/19/39/371131939.db2.gz IOQPBWQPLULEJD-UHFFFAOYSA-N -1 3 281.739 3.377 20 0 CGADHM CC(C)c1nn(C)cc1NCc1c(F)ccc([O-])c1F ZINC000353290697 220010957 /nfs/dbraw/zinc/01/09/57/220010957.db2.gz WWZMESGLVGTRPR-UHFFFAOYSA-N -1 3 281.306 3.139 20 0 CGADHM CC(C)c1cccc(NC(=O)c2ccc3n[n-]nc3c2)c1 ZINC000011868994 541851034 /nfs/dbraw/zinc/85/10/34/541851034.db2.gz NGIFUDHNDVRWJK-UHFFFAOYSA-N -1 3 280.331 3.334 20 0 CGADHM C[C@@H](CC1CCCC1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000132797889 371203756 /nfs/dbraw/zinc/20/37/56/371203756.db2.gz XIZCZFYTFJWJFB-NSHDSACASA-N -1 3 279.355 3.364 20 0 CGADHM CCCCS[C@H](C)C(=O)NCc1ccc([O-])c(F)c1 ZINC000132904562 371211344 /nfs/dbraw/zinc/21/13/44/371211344.db2.gz UJVPOAPOHKTNPN-SNVBAGLBSA-N -1 3 285.384 3.069 20 0 CGADHM Cc1n[nH]c(C)c1[C@@H](C)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000133441834 371252186 /nfs/dbraw/zinc/25/21/86/371252186.db2.gz RRJPSDPJZUPSOD-SSDOTTSWSA-N -1 3 293.754 3.128 20 0 CGADHM CC[C@H]1CCCCCN1C(=O)c1ccc(C)cc1[O-] ZINC000134721332 371361133 /nfs/dbraw/zinc/36/11/33/371361133.db2.gz DVRNRVWPEHNRPN-ZDUSSCGKSA-N -1 3 261.365 3.495 20 0 CGADHM CCCc1nnc([N-]C(=O)c2cc(CC)c(CC)o2)s1 ZINC000134767678 371362326 /nfs/dbraw/zinc/36/23/26/371362326.db2.gz XWTDTNQUFJXPPC-UHFFFAOYSA-N -1 3 293.392 3.461 20 0 CGADHM O=C(Cc1ccc(C(F)(F)F)cc1)[N-]OC1CCCC1 ZINC000135137427 371394018 /nfs/dbraw/zinc/39/40/18/371394018.db2.gz HJPSAEBWLYSXEK-UHFFFAOYSA-N -1 3 287.281 3.238 20 0 CGADHM O=C(Cc1cccc(C(F)(F)F)c1)[N-]OC1CCCC1 ZINC000135141684 371394222 /nfs/dbraw/zinc/39/42/22/371394222.db2.gz ROMHHTHZPCZTRJ-UHFFFAOYSA-N -1 3 287.281 3.238 20 0 CGADHM CCc1cnc(NC(=O)Cc2ccc([O-])cc2Cl)s1 ZINC000136308061 371473010 /nfs/dbraw/zinc/47/30/10/371473010.db2.gz QGBHBJCMANMLQR-UHFFFAOYSA-N -1 3 296.779 3.246 20 0 CGADHM O=C(Nc1ccc(Cl)cc1[O-])[C@@]12C[C@@H]1CCC2 ZINC000421791006 371634160 /nfs/dbraw/zinc/63/41/60/371634160.db2.gz GVUOJUFYVYSSOL-SDBXPKJASA-N -1 3 251.713 3.174 20 0 CGADHM Cc1ccc(NC(=O)[C@H](C)Sc2ccccn2)c([O-])c1 ZINC000152584255 371707390 /nfs/dbraw/zinc/70/73/90/371707390.db2.gz HPKDUQNOEXSNHC-NSHDSACASA-N -1 3 288.372 3.215 20 0 CGADHM CC[C@H]1C[C@H](NC(=O)c2ccc(C(C)C)cc2[O-])CCO1 ZINC000421969175 371717157 /nfs/dbraw/zinc/71/71/57/371717157.db2.gz OJVGQSYGTUEAOE-KGLIPLIRSA-N -1 3 291.391 3.203 20 0 CGADHM Cc1cccc([C@@H](C)C(=O)NCc2ccc([O-])c(F)c2)c1 ZINC000155276991 371918021 /nfs/dbraw/zinc/91/80/21/371918021.db2.gz DRKIFEQMRFJCJW-GFCCVEGCSA-N -1 3 287.334 3.260 20 0 CGADHM Cc1cc(N(C)C)cc(C)c1NC([O-])=NOC/C=C/Cl ZINC000290160979 371918551 /nfs/dbraw/zinc/91/85/51/371918551.db2.gz NZTSPXWAOYHFLZ-AATRIKPKSA-N -1 3 297.786 3.175 20 0 CGADHM Cc1cc(N(C)C)cc(C)c1NC(=O)[N-]OC/C=C/Cl ZINC000290160979 371918559 /nfs/dbraw/zinc/91/85/59/371918559.db2.gz NZTSPXWAOYHFLZ-AATRIKPKSA-N -1 3 297.786 3.175 20 0 CGADHM Cc1coc2ccc(NC(=O)NCc3ncccc3[O-])cc12 ZINC000344096915 217046847 /nfs/dbraw/zinc/04/68/47/217046847.db2.gz VARCIWNSDZVTGN-UHFFFAOYSA-N -1 3 297.314 3.164 20 0 CGADHM C[C@H]1CN(Cc2cc([O-])cc(C(F)(F)F)c2)CCCO1 ZINC000290536697 372012611 /nfs/dbraw/zinc/01/26/11/372012611.db2.gz VTWDCZNYQWVEIJ-JTQLQIEISA-N -1 3 289.297 3.022 20 0 CGADHM CO[C@]1(C)CCCN(C(=O)c2cc([O-])ccc2Cl)CC1 ZINC000290960204 372084046 /nfs/dbraw/zinc/08/40/46/372084046.db2.gz WDSQFUMWAJSDJX-OAHLLOKOSA-N -1 3 297.782 3.077 20 0 CGADHM CCN(CC(C)(C)C)C(=O)c1c[n-]c2ccccc2c1=O ZINC000291214352 372139412 /nfs/dbraw/zinc/13/94/12/372139412.db2.gz OJKHOEPRGXDUQW-UHFFFAOYSA-N -1 3 286.375 3.449 20 0 CGADHM C[C@@H]1C[C@@H](CCNCc2c(F)ccc([O-])c2F)C[C@H](C)O1 ZINC000353361165 220043285 /nfs/dbraw/zinc/04/32/85/220043285.db2.gz QYLAARPKFDSKBF-ZSBIGDGJSA-N -1 3 299.361 3.354 20 0 CGADHM CCc1cc(C(=O)N2CCCc3cccc([O-])c32)ccc1O ZINC000291583803 372171564 /nfs/dbraw/zinc/17/15/64/372171564.db2.gz CNOTURZCVVJSLU-UHFFFAOYSA-N -1 3 297.354 3.253 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N(C)Cc2cccc(C)c2C)n1 ZINC000428721672 372256070 /nfs/dbraw/zinc/25/60/70/372256070.db2.gz UKJVJMBAWSMLBN-AWEZNQCLSA-N -1 3 285.391 3.300 20 0 CGADHM CC[C@H](CSC)NCc1cccc([O-])c1Cl ZINC000293344625 372360653 /nfs/dbraw/zinc/36/06/53/372360653.db2.gz SMSJBDLZTWBAAT-SNVBAGLBSA-N -1 3 259.802 3.277 20 0 CGADHM Cc1cnccc1CCNCc1cccc([O-])c1Cl ZINC000293216544 372328936 /nfs/dbraw/zinc/32/89/36/372328936.db2.gz JRMVCQFNEIJHND-UHFFFAOYSA-N -1 3 276.767 3.081 20 0 CGADHM Cc1ncc(CNCc2ccc(C(C)(C)C)s2)c(=O)[n-]1 ZINC000344327297 217151787 /nfs/dbraw/zinc/15/17/87/217151787.db2.gz PHTJYVQPBKQENN-UHFFFAOYSA-N -1 3 291.420 3.139 20 0 CGADHM CC(C)(C)SCCNCc1c(F)ccc([O-])c1F ZINC000293561128 372411652 /nfs/dbraw/zinc/41/16/52/372411652.db2.gz IDGIZGVUJMGMAS-UHFFFAOYSA-N -1 3 275.364 3.292 20 0 CGADHM C[C@H](c1ccco1)N(C)C(=O)Cc1ccc([O-])cc1Cl ZINC000162702274 372412472 /nfs/dbraw/zinc/41/24/72/372412472.db2.gz OJABZPVTXSRLKY-SNVBAGLBSA-N -1 3 293.750 3.401 20 0 CGADHM COc1cc(C)cc(CNCc2c(F)ccc([O-])c2F)c1 ZINC000293599004 372422318 /nfs/dbraw/zinc/42/23/18/372422318.db2.gz LAONUNZEVQWUSC-UHFFFAOYSA-N -1 3 293.313 3.277 20 0 CGADHM COc1cccc(C(=O)N2CCCC[C@@H]2CC(C)C)c1[O-] ZINC000163063938 372444274 /nfs/dbraw/zinc/44/42/74/372444274.db2.gz SWEBKYQYTGYMAZ-CYBMUJFWSA-N -1 3 291.391 3.442 20 0 CGADHM CCc1cc(=O)[n-]c(CN(C)[C@H](C)c2ccccc2C)n1 ZINC000344370227 217173133 /nfs/dbraw/zinc/17/31/33/217173133.db2.gz QOTUDCXOCBJWHN-CYBMUJFWSA-N -1 3 285.391 3.246 20 0 CGADHM [O-]c1cccc(CNCCSC(F)(F)F)c1Cl ZINC000293699127 372454404 /nfs/dbraw/zinc/45/44/04/372454404.db2.gz WZHRIPBCWRQBEQ-UHFFFAOYSA-N -1 3 285.718 3.388 20 0 CGADHM COc1ccc(C(=O)N2CC3(CCC3)[C@H]2C(C)C)c([O-])c1 ZINC000293796968 372484270 /nfs/dbraw/zinc/48/42/70/372484270.db2.gz PAEAVVSNBXBUPN-OAHLLOKOSA-N -1 3 289.375 3.052 20 0 CGADHM Cc1cc(C)n(CCCNCc2cccc([O-])c2Cl)n1 ZINC000293944724 372532679 /nfs/dbraw/zinc/53/26/79/372532679.db2.gz BIPOLPVMPRLXDO-UHFFFAOYSA-N -1 3 293.798 3.039 20 0 CGADHM CC1([N-]S(=O)(=O)c2cccc(Cl)c2Cl)CCC1 ZINC000167430215 372596385 /nfs/dbraw/zinc/59/63/85/372596385.db2.gz IPHYRZQBFZNTMT-UHFFFAOYSA-N -1 3 294.203 3.214 20 0 CGADHM [O-]c1ccc(F)c(CN[C@H]2CCc3ccccc32)c1F ZINC000294260848 372631472 /nfs/dbraw/zinc/63/14/72/372631472.db2.gz NVJRWAQPYIMIMP-AWEZNQCLSA-N -1 3 275.298 3.448 20 0 CGADHM Cc1ccc([O-])c(NC(=O)Cc2cccc(C(F)F)c2)n1 ZINC000344494869 217209293 /nfs/dbraw/zinc/20/92/93/217209293.db2.gz HPTSQUYBRJUFKV-UHFFFAOYSA-N -1 3 292.285 3.214 20 0 CGADHM CC(C)(CCNC(=O)c1cc(=O)c2ccccc2[n-]1)C1CC1 ZINC000294175276 372604313 /nfs/dbraw/zinc/60/43/13/372604313.db2.gz NYMCGVJBHJLDSG-UHFFFAOYSA-N -1 3 298.386 3.497 20 0 CGADHM O=C(CCOc1ccccc1)N1CCCc2cccc([O-])c21 ZINC000170873010 372674933 /nfs/dbraw/zinc/67/49/33/372674933.db2.gz NLOIJXKLUXZSOI-UHFFFAOYSA-N -1 3 297.354 3.141 20 0 CGADHM CC[C@@H]1C[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000435625317 372786697 /nfs/dbraw/zinc/78/66/97/372786697.db2.gz FWWMVEQHJFDPIM-GMSGAONNSA-N -1 3 294.203 3.070 20 0 CGADHM CCO[N-]C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000171742636 372820106 /nfs/dbraw/zinc/82/01/06/372820106.db2.gz GBAOCXZYCNRPES-VHSXEESVSA-N -1 3 274.147 3.165 20 0 CGADHM CC(C)O[N-]C(=O)[C@H]1C[C@H]1c1cccc2ccccc21 ZINC000295556932 372825042 /nfs/dbraw/zinc/82/50/42/372825042.db2.gz MKRYFBNIKLPGFI-HOTGVXAUSA-N -1 3 269.344 3.400 20 0 CGADHM C[C@@H](CC[N-]S(=O)(=O)c1ccco1)CC(C)(C)C ZINC000442766207 373076134 /nfs/dbraw/zinc/07/61/34/373076134.db2.gz KNKJCZZBANYWOR-NSHDSACASA-N -1 3 273.398 3.020 20 0 CGADHM COc1ccc([O-])c(C(=O)N2[C@H](C)C[C@@H]3CCCC[C@@H]32)c1 ZINC000173051115 373083876 /nfs/dbraw/zinc/08/38/76/373083876.db2.gz PBPXLCXSNKNMQV-XUJVJEKNSA-N -1 3 289.375 3.194 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)CCC2CCOCC2)c1[O-] ZINC000173648028 373170692 /nfs/dbraw/zinc/17/06/92/373170692.db2.gz AGSGESJZSHLSIL-UHFFFAOYSA-N -1 3 297.782 3.499 20 0 CGADHM Cc1cc(Cl)c(NC([O-])=NOC(C)C)cc1C ZINC000296715227 373227387 /nfs/dbraw/zinc/22/73/87/373227387.db2.gz BUUPDXQQCFFZQV-UHFFFAOYSA-N -1 3 256.733 3.418 20 0 CGADHM Cc1cc(Cl)c(NC(=O)[N-]OC(C)C)cc1C ZINC000296715227 373227394 /nfs/dbraw/zinc/22/73/94/373227394.db2.gz BUUPDXQQCFFZQV-UHFFFAOYSA-N -1 3 256.733 3.418 20 0 CGADHM CC(C)ON=C([O-])Nc1ccc(F)cc1OC(C)C ZINC000296750920 373235754 /nfs/dbraw/zinc/23/57/54/373235754.db2.gz IFGKSKDOLWJUCZ-UHFFFAOYSA-N -1 3 270.304 3.074 20 0 CGADHM CC(C)O[N-]C(=O)Nc1ccc(F)cc1OC(C)C ZINC000296750920 373235762 /nfs/dbraw/zinc/23/57/62/373235762.db2.gz IFGKSKDOLWJUCZ-UHFFFAOYSA-N -1 3 270.304 3.074 20 0 CGADHM CC(C)O[N-]C(=O)/C=C/c1ccccc1OC(F)(F)F ZINC000296767459 373239976 /nfs/dbraw/zinc/23/99/76/373239976.db2.gz CFZVSGSROUPTAZ-BQYQJAHWSA-N -1 3 289.253 3.055 20 0 CGADHM CC(C)C1CCN(C(=O)c2c[n-]c3ccccc3c2=O)CC1 ZINC000174492223 373327972 /nfs/dbraw/zinc/32/79/72/373327972.db2.gz LNPRSTOOOJSLOV-UHFFFAOYSA-N -1 3 298.386 3.036 20 0 CGADHM CCCCN(C)Cc1cc(=O)oc2cc([O-])c(Cl)cc12 ZINC000298630185 373369208 /nfs/dbraw/zinc/36/92/08/373369208.db2.gz IMSSWYRAPHYGNT-UHFFFAOYSA-N -1 3 295.766 3.384 20 0 CGADHM Cc1ncccc1NC(=O)c1c[n-]nc1-c1ccccc1 ZINC000175203951 373430797 /nfs/dbraw/zinc/43/07/97/373430797.db2.gz IZKIUGBKFZYXAM-UHFFFAOYSA-N -1 3 278.315 3.032 20 0 CGADHM CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1ccc(O)cc1[O-] ZINC000175290863 373444292 /nfs/dbraw/zinc/44/42/92/373444292.db2.gz DCLVVRMNWCUDPF-SMDDNHRTSA-N -1 3 277.364 3.139 20 0 CGADHM O=C(c1cccc([O-])c1)N1CCC(F)(c2ccccc2)CC1 ZINC000447615122 373465303 /nfs/dbraw/zinc/46/53/03/373465303.db2.gz NRHQWUNMTSQLLC-UHFFFAOYSA-N -1 3 299.345 3.493 20 0 CGADHM Cc1ccccc1[C@H]1CCN(C(=O)c2ccc(O)cc2[O-])C1 ZINC000299676315 373596525 /nfs/dbraw/zinc/59/65/25/373596525.db2.gz OEDZSCQZUQFMFS-ZDUSSCGKSA-N -1 3 297.354 3.036 20 0 CGADHM Cc1cnc(C(C)(C)NC(=O)c2cc(C)ccc2[O-])s1 ZINC000176859168 373636729 /nfs/dbraw/zinc/63/67/29/373636729.db2.gz ORIGWFFVOBPGTG-UHFFFAOYSA-N -1 3 290.388 3.131 20 0 CGADHM O=C(Cc1ccc([O-])cc1Cl)NC[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000178231928 373755851 /nfs/dbraw/zinc/75/58/51/373755851.db2.gz ZWRKPNVGOOQKAG-LOWVWBTDSA-N -1 3 293.794 3.141 20 0 CGADHM CC1(C)CCC[C@H](C(=O)Nc2nnc(-c3ccco3)[n-]2)C1 ZINC000178860094 373813077 /nfs/dbraw/zinc/81/30/77/373813077.db2.gz GVLAYSIZUKKPFP-JTQLQIEISA-N -1 3 288.351 3.220 20 0 CGADHM CC1(C)CCC[C@H](C(=O)Nc2nc(-c3ccco3)n[n-]2)C1 ZINC000178860094 373813081 /nfs/dbraw/zinc/81/30/81/373813081.db2.gz GVLAYSIZUKKPFP-JTQLQIEISA-N -1 3 288.351 3.220 20 0 CGADHM CC1(C)CCC[C@H](C(=O)Nc2n[n-]c(-c3ccco3)n2)C1 ZINC000178860094 373813083 /nfs/dbraw/zinc/81/30/83/373813083.db2.gz GVLAYSIZUKKPFP-JTQLQIEISA-N -1 3 288.351 3.220 20 0 CGADHM Cc1cccc([O-])c1NC(=O)c1cccc(-n2cccn2)c1 ZINC000179566478 373887945 /nfs/dbraw/zinc/88/79/45/373887945.db2.gz REQRFBOEPWFHHS-UHFFFAOYSA-N -1 3 293.326 3.139 20 0 CGADHM CCSc1cc(C(=O)Nc2c(C)cccc2[O-])ccn1 ZINC000179562607 373888855 /nfs/dbraw/zinc/88/88/55/373888855.db2.gz NUYIXCJULBXZKS-UHFFFAOYSA-N -1 3 288.372 3.460 20 0 CGADHM CCC1(CC)CCC(Nc2nc3nncc-3c(O)[n-]2)CC1 ZINC000302670484 373920705 /nfs/dbraw/zinc/92/07/05/373920705.db2.gz DJUKRTJRTDEABN-UHFFFAOYSA-N -1 3 289.383 3.219 20 0 CGADHM CCC[C@H](C)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000179857942 373927830 /nfs/dbraw/zinc/92/78/30/373927830.db2.gz PEZVPCXHRSOIPT-JSGCOSHPSA-N -1 3 261.365 3.433 20 0 CGADHM CCS[C@@H]1CCC[C@H]1N=c1[n-]c(C(C)=O)c(C)s1 ZINC000450368770 374085518 /nfs/dbraw/zinc/08/55/18/374085518.db2.gz JVTQEULNBSNYOH-GHMZBOCLSA-N -1 3 284.450 3.162 20 0 CGADHM CC[C@@H](C)[C@@H](NCc1c(F)cccc1Cl)C(=O)[O-] ZINC000075424094 541907660 /nfs/dbraw/zinc/90/76/60/541907660.db2.gz NBXFSGZTZNUOGM-PRHODGIISA-N -1 3 273.735 3.068 20 0 CGADHM CCCN(Cc1ccccc1)C(=O)c1cccc2[n-]nnc21 ZINC000182698012 374313070 /nfs/dbraw/zinc/31/30/70/374313070.db2.gz KIXNBLCCPMSEFB-UHFFFAOYSA-N -1 3 294.358 3.010 20 0 CGADHM CCCN(Cc1ccccc1)C(=O)c1cccc2nn[n-]c21 ZINC000182698012 374313077 /nfs/dbraw/zinc/31/30/77/374313077.db2.gz KIXNBLCCPMSEFB-UHFFFAOYSA-N -1 3 294.358 3.010 20 0 CGADHM CCCN(Cc1ccccc1)C(=O)c1cccc2n[n-]nc21 ZINC000182698012 374313082 /nfs/dbraw/zinc/31/30/82/374313082.db2.gz KIXNBLCCPMSEFB-UHFFFAOYSA-N -1 3 294.358 3.010 20 0 CGADHM Cc1nnc([N-]C(=O)c2ccc(F)c(Cl)c2F)s1 ZINC000182770567 374324719 /nfs/dbraw/zinc/32/47/19/374324719.db2.gz IYSWSHGFLBHVEU-UHFFFAOYSA-N -1 3 289.694 3.030 20 0 CGADHM O=C(Nc1ccccc1OCC(F)F)c1cccc([O-])c1 ZINC000182810002 374329824 /nfs/dbraw/zinc/32/98/24/374329824.db2.gz YOFLROJUXYFUFR-UHFFFAOYSA-N -1 3 293.269 3.288 20 0 CGADHM C[C@H](NC(=O)c1cccc([O-])c1)c1ccc(F)c(F)c1 ZINC000082282686 541927793 /nfs/dbraw/zinc/92/77/93/541927793.db2.gz QAQSKBPHVRSDET-VIFPVBQESA-N -1 3 277.270 3.161 20 0 CGADHM C[C@H](NC(=O)c1cccc([O-])c1)c1cccc(F)c1F ZINC000182965414 374349757 /nfs/dbraw/zinc/34/97/57/374349757.db2.gz WCUYAXDYANDTAL-VIFPVBQESA-N -1 3 277.270 3.161 20 0 CGADHM CCCCS[C@H](C)C(=O)Nc1ccc([O-])cc1F ZINC000183274826 374395148 /nfs/dbraw/zinc/39/51/48/374395148.db2.gz QLNFNTMHFQRYSE-SECBINFHSA-N -1 3 271.357 3.392 20 0 CGADHM COc1cccc(CCC(=O)Nc2ccc([O-])cc2F)c1 ZINC000183249249 374390399 /nfs/dbraw/zinc/39/03/99/374390399.db2.gz FVWPKVFHZMJENM-UHFFFAOYSA-N -1 3 289.306 3.111 20 0 CGADHM Cc1ccccc1CC1CN(C(=O)c2ccccc2[O-])C1 ZINC000085652337 541937175 /nfs/dbraw/zinc/93/71/75/541937175.db2.gz XQWQAOCXHWUKCR-UHFFFAOYSA-N -1 3 281.355 3.015 20 0 CGADHM Cc1cccc([C@H](C)S(=O)(=O)c2cccc([O-])c2)c1 ZINC000183980016 374480072 /nfs/dbraw/zinc/48/00/72/374480072.db2.gz AVHYCXSLIIAYEL-LBPRGKRZSA-N -1 3 276.357 3.236 20 0 CGADHM [O-]c1cc(F)cc(CNCc2cccc3cccnc32)c1 ZINC000184144021 374499125 /nfs/dbraw/zinc/49/91/25/374499125.db2.gz QOFZTOGYSQHEIG-UHFFFAOYSA-N -1 3 282.318 3.369 20 0 CGADHM Cc1cccc2c(=O)c(C(=O)N3CCC(C)(C)CC3)c[n-]c12 ZINC000332513735 374578862 /nfs/dbraw/zinc/57/88/62/374578862.db2.gz JBURWCVQQLGUEZ-UHFFFAOYSA-N -1 3 298.386 3.099 20 0 CGADHM CCc1ccc([O-])c(-c2nc(-c3ccnc(OC)c3)no2)c1 ZINC000184870562 374566973 /nfs/dbraw/zinc/56/69/73/374566973.db2.gz SKLMAYOFADHUPC-UHFFFAOYSA-N -1 3 297.314 3.075 20 0 CGADHM O=C(CCCC1CCCCC1)NCc1ncccc1[O-] ZINC000332616548 374582693 /nfs/dbraw/zinc/58/26/93/374582693.db2.gz MVEQRVHFXKIWFU-UHFFFAOYSA-N -1 3 276.380 3.154 20 0 CGADHM O=C(Nc1ccccc1[O-])c1ccc2c(c1)CCCC2=O ZINC000334220962 206211943 /nfs/dbraw/zinc/21/19/43/206211943.db2.gz WBOGEOMPGZMCJW-UHFFFAOYSA-N -1 3 281.311 3.164 20 0 CGADHM CC[C@H](NCc1cc([O-])cc(F)c1)c1ccncc1 ZINC000185552498 374686232 /nfs/dbraw/zinc/68/62/32/374686232.db2.gz ORBKYQBRBDSZRV-HNNXBMFYSA-N -1 3 260.312 3.167 20 0 CGADHM CC(C)[C@@H]1C[C@H]1NC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000458107208 374689087 /nfs/dbraw/zinc/68/90/87/374689087.db2.gz CITJXGGYIMSJLT-JOYOIKCWSA-N -1 3 287.281 3.185 20 0 CGADHM Cc1cc([N-]C(=O)c2c(F)ccc(F)c2F)sn1 ZINC000185674602 374709877 /nfs/dbraw/zinc/70/98/77/374709877.db2.gz WEHPIWZJLMDFMB-UHFFFAOYSA-N -1 3 272.251 3.121 20 0 CGADHM O=C([N-]c1ccncc1F)c1ccc(F)c(Cl)c1F ZINC000186210944 374814929 /nfs/dbraw/zinc/81/49/29/374814929.db2.gz VSDCGNHMQKJOJF-UHFFFAOYSA-N -1 3 286.640 3.405 20 0 CGADHM Cc1cccc([O-])c1NC(=O)c1[nH]ccc1C1CC1 ZINC000334561273 374859586 /nfs/dbraw/zinc/85/95/86/374859586.db2.gz CNWSKYPDBGYYKZ-UHFFFAOYSA-N -1 3 256.305 3.158 20 0 CGADHM CCCC[C@H]([N-]S(=O)(=O)c1cccs1)C1CCC1 ZINC000465499371 374954536 /nfs/dbraw/zinc/95/45/36/374954536.db2.gz DJNOAQSKOZPVCJ-LBPRGKRZSA-N -1 3 287.450 3.385 20 0 CGADHM COC(=O)c1cnc(S[C@H](C)c2ccc(F)cc2)[n-]1 ZINC000187599969 375053215 /nfs/dbraw/zinc/05/32/15/375053215.db2.gz NWIYEPHVLGBCQC-MRVPVSSYSA-N -1 3 280.324 3.189 20 0 CGADHM C[C@H](c1ccc(F)cc1)S(=O)(=O)c1cccc([O-])c1 ZINC000334988417 375054077 /nfs/dbraw/zinc/05/40/77/375054077.db2.gz VRIFORMWKXLTGC-SNVBAGLBSA-N -1 3 280.320 3.066 20 0 CGADHM C[C@@H](CC(=O)N1CC[C@@H](C)c2cccc([O-])c21)n1cccn1 ZINC000335107403 375136084 /nfs/dbraw/zinc/13/60/84/375136084.db2.gz DWIBNMGNYFHISP-OLZOCXBDSA-N -1 3 299.374 3.080 20 0 CGADHM CC(C)N(C(=O)c1ccc(O)cc1[O-])C1CC(C)(C)C1 ZINC000335079689 375113187 /nfs/dbraw/zinc/11/31/87/375113187.db2.gz DNJYRVNWKBWKKW-UHFFFAOYSA-N -1 3 277.364 3.137 20 0 CGADHM C[C@@H]1CCCC[C@@]1(C)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000335093314 375126673 /nfs/dbraw/zinc/12/66/73/375126673.db2.gz WRKVAGSUCNOQIQ-KZULUSFZSA-N -1 3 298.386 3.227 20 0 CGADHM CCc1cc(C(=O)NC[C@@H]2CCC[C@H]2C)ccc1[O-] ZINC000487525391 375246325 /nfs/dbraw/zinc/24/63/25/375246325.db2.gz KMUSGTDREBWFFD-RISCZKNCSA-N -1 3 261.365 3.121 20 0 CGADHM C[C@@H]1CCN(Cc2cc3cc(F)ccc3o2)C[C@@H]1C(=O)[O-] ZINC000335443290 375297803 /nfs/dbraw/zinc/29/78/03/375297803.db2.gz MZPFNPMEGVMBEG-YGRLFVJLSA-N -1 3 291.322 3.115 20 0 CGADHM CCCCc1ccc(NC(=O)[N-]OC[C@@H]2CCOC2)cc1 ZINC000189439914 375388708 /nfs/dbraw/zinc/38/87/08/375388708.db2.gz FOWVRAMJEXIWPG-CQSZACIVSA-N -1 3 292.379 3.119 20 0 CGADHM C/C=C/C=C\C(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000492019315 375396683 /nfs/dbraw/zinc/39/66/83/375396683.db2.gz OHLKELGFSBLLQG-IAROGAJJSA-N -1 3 287.237 3.362 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)/C=C\c2ccc[nH]2)c1[O-] ZINC000491977952 375384081 /nfs/dbraw/zinc/38/40/81/375384081.db2.gz PUVRAHXSLOWCJY-PLNGDYQASA-N -1 3 276.723 3.334 20 0 CGADHM [O-]c1cc(F)cc(CN[C@@H]2CSc3ccccc32)c1 ZINC000335767699 375414118 /nfs/dbraw/zinc/41/41/18/375414118.db2.gz ZMALKRYJNXZWJI-CQSZACIVSA-N -1 3 275.348 3.468 20 0 CGADHM O=C([N-]c1cc(Cl)ccn1)c1c(F)ccc(F)c1F ZINC000335770352 375415847 /nfs/dbraw/zinc/41/58/47/375415847.db2.gz HCHFBLYAGDVDKA-UHFFFAOYSA-N -1 3 286.640 3.405 20 0 CGADHM CCc1ccc(C(=O)N2CCC[C@H](CC)C2)c([O-])c1 ZINC000189594193 375421641 /nfs/dbraw/zinc/42/16/41/375421641.db2.gz UVSKWQRCQRGCRK-ZDUSSCGKSA-N -1 3 261.365 3.217 20 0 CGADHM O=C(/C=C\c1cc2ccccc2o1)[N-]OCC(F)(F)F ZINC000492156756 375432408 /nfs/dbraw/zinc/43/24/08/375432408.db2.gz QSVDXLRPBZJKOW-WAYWQWQTSA-N -1 3 285.221 3.056 20 0 CGADHM O=S(=O)([N-]c1c(F)cc(Cl)cc1F)c1ccco1 ZINC000335813674 375451038 /nfs/dbraw/zinc/45/10/38/375451038.db2.gz CKCCPIRIJXKXJD-UHFFFAOYSA-N -1 3 293.678 3.012 20 0 CGADHM Cc1nc(C(=O)[N-]c2cc(Cl)cc(F)c2F)c(C)o1 ZINC000335841083 375474210 /nfs/dbraw/zinc/47/42/10/375474210.db2.gz NNEDEQLOLOSPDB-UHFFFAOYSA-N -1 3 286.665 3.475 20 0 CGADHM O=c1[n-]c(COc2ccc(F)cc2)nc2cccc(F)c12 ZINC000113268194 542003047 /nfs/dbraw/zinc/00/30/47/542003047.db2.gz ZDZHBNVLMGCCQX-UHFFFAOYSA-N -1 3 288.253 3.193 20 0 CGADHM CCc1noc(C)c1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000336145744 375725609 /nfs/dbraw/zinc/72/56/09/375725609.db2.gz ABBMYULOGMYYPU-UHFFFAOYSA-N -1 3 280.711 3.157 20 0 CGADHM O=C(N[C@@H]1CCC[C@@H]1c1ccccc1)c1cccc([O-])c1 ZINC000509140992 375772691 /nfs/dbraw/zinc/77/26/91/375772691.db2.gz HBJVADTVENJBSD-IAGOWNOFSA-N -1 3 281.355 3.458 20 0 CGADHM C[C@H](NC(=O)c1cccc([O-])c1)c1ccc(F)cc1F ZINC000192651212 375776320 /nfs/dbraw/zinc/77/63/20/375776320.db2.gz QRUPZRGWEMOIMO-VIFPVBQESA-N -1 3 277.270 3.161 20 0 CGADHM Cc1cccc(C(=O)N2CC3(CCC3)C[C@@H]2C)c1[O-] ZINC000336538181 375815678 /nfs/dbraw/zinc/81/56/78/375815678.db2.gz AYFOSIFPDFGUBG-LBPRGKRZSA-N -1 3 259.349 3.105 20 0 CGADHM Cc1cc([C@H](C)N2CCC(C)CC2)oc1C(=O)[O-] ZINC000517240493 375824553 /nfs/dbraw/zinc/82/45/53/375824553.db2.gz GRBXPXJOSSWZNM-NSHDSACASA-N -1 3 251.326 3.079 20 0 CGADHM CC(=O)c1ccc(C(=O)[N-]c2cccc(F)c2F)o1 ZINC000336569180 375838714 /nfs/dbraw/zinc/83/87/14/375838714.db2.gz GPCOBAWSLCQVGX-UHFFFAOYSA-N -1 3 265.215 3.013 20 0 CGADHM Cc1ccc(C2CCN(C(=O)c3cccc([O-])c3)CC2)cn1 ZINC000336576240 375843936 /nfs/dbraw/zinc/84/39/36/375843936.db2.gz BKHKDDLSFAYRSF-UHFFFAOYSA-N -1 3 296.370 3.115 20 0 CGADHM CC(C)(C)C[C@@H]1CCCN1C(=O)c1ccc(O)cc1[O-] ZINC000336588157 375854040 /nfs/dbraw/zinc/85/40/40/375854040.db2.gz YLGFUGBESFICRR-NSHDSACASA-N -1 3 277.364 3.139 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2c(F)cccc2Cl)n1 ZINC000336590015 375857663 /nfs/dbraw/zinc/85/76/63/375857663.db2.gz MHNYYIQDVAECOC-UHFFFAOYSA-N -1 3 280.686 3.140 20 0 CGADHM Cc1ccc(C(=O)N2CCc3cccc(C)c32)c([O-])c1 ZINC000193323400 375860276 /nfs/dbraw/zinc/86/02/76/375860276.db2.gz ZLHHPWWZSOIMMV-UHFFFAOYSA-N -1 3 267.328 3.212 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)C2CC(F)(F)C2)c1[O-] ZINC000336603083 375866649 /nfs/dbraw/zinc/86/66/49/375866649.db2.gz YWVCXQBJTKXMDE-UHFFFAOYSA-N -1 3 275.682 3.338 20 0 CGADHM C[C@@H]1CCCC[C@H]1CNC(=O)c1c[n-]c2ccccc2c1=O ZINC000194360205 375991935 /nfs/dbraw/zinc/99/19/35/375991935.db2.gz JOINNKQVGMGGDV-OLZOCXBDSA-N -1 3 298.386 3.084 20 0 CGADHM CCCCCC(=O)Nc1ccc(C(=O)OCC)cc1[O-] ZINC000536336445 376085837 /nfs/dbraw/zinc/08/58/37/376085837.db2.gz GBFDNGUBUJRMRL-UHFFFAOYSA-N -1 3 279.336 3.088 20 0 CGADHM Cc1cc2c([n-]c(COCc3ccccc3)nc2=O)s1 ZINC000195291744 376095742 /nfs/dbraw/zinc/09/57/42/376095742.db2.gz LZBLDEZXNBFRKQ-UHFFFAOYSA-N -1 3 286.356 3.010 20 0 CGADHM C[C@@H]([N-]C(=O)C(F)F)c1ccc(Cl)cc1Cl ZINC000217612989 376176822 /nfs/dbraw/zinc/17/68/22/376176822.db2.gz JMSDQHCRIAAFAO-RXMQYKEDSA-N -1 3 268.090 3.436 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2C[C@H](C)CC2(C)C)c1 ZINC000538776986 376269299 /nfs/dbraw/zinc/26/92/99/376269299.db2.gz PPEJKFVPHATKRM-LLVKDONJSA-N -1 3 261.365 3.215 20 0 CGADHM CC(C)(C)[C@@H](NC(=O)c1ccccc1[O-])C(F)(F)F ZINC000539873528 376343642 /nfs/dbraw/zinc/34/36/42/376343642.db2.gz LOHVDWLZIOAATP-LLVKDONJSA-N -1 3 275.270 3.099 20 0 CGADHM Cc1ccc([O-])c(C(=O)NC/C=C\c2ccccc2)c1 ZINC000540884957 376400591 /nfs/dbraw/zinc/40/05/91/376400591.db2.gz NACWBHAOGWRZBW-YVMONPNESA-N -1 3 267.328 3.144 20 0 CGADHM CCC1(CNC(=O)c2cc([O-])ccc2Cl)CCC1 ZINC000227882059 376416929 /nfs/dbraw/zinc/41/69/29/376416929.db2.gz HBADWKWUOMROKR-UHFFFAOYSA-N -1 3 267.756 3.356 20 0 CGADHM Cc1cc(C(=O)Nc2ccc(F)cc2C)ccc1[O-] ZINC000226715473 376370250 /nfs/dbraw/zinc/37/02/50/376370250.db2.gz LQZBXLOGFROEFM-UHFFFAOYSA-N -1 3 259.280 3.400 20 0 CGADHM CCS[C@H]1CCC[C@H]1NC(=O)c1ccc([O-])c(C)c1 ZINC000226718444 376370266 /nfs/dbraw/zinc/37/02/66/376370266.db2.gz NOQKONNRBWDQPS-OCCSQVGLSA-N -1 3 279.405 3.105 20 0 CGADHM CCc1cc(=O)[n-]c(CN2CC[C@@H](c3ccc(C)cc3)C2)n1 ZINC000541391969 376444992 /nfs/dbraw/zinc/44/49/92/376444992.db2.gz CKXDKABBRLGLOX-OAHLLOKOSA-N -1 3 297.402 3.043 20 0 CGADHM CCc1cccc(-c2nc(-c3ccc(OC)nc3)no2)c1[O-] ZINC000542708527 376573599 /nfs/dbraw/zinc/57/35/99/376573599.db2.gz CAKOWTUGEHIRAV-UHFFFAOYSA-N -1 3 297.314 3.075 20 0 CGADHM CC(C)[C@H]1CCN(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000232753283 376586893 /nfs/dbraw/zinc/58/68/93/376586893.db2.gz DEWRMHSUDWOWDV-JTQLQIEISA-N -1 3 267.756 3.164 20 0 CGADHM COc1csc(C(=O)Nc2ccc(Cl)cc2[O-])c1 ZINC000339008074 376626213 /nfs/dbraw/zinc/62/62/13/376626213.db2.gz KMEFPHFHEHMGOS-UHFFFAOYSA-N -1 3 283.736 3.368 20 0 CGADHM C[C@@H]1CCN(C(=O)c2cc([O-])ccc2Cl)C[C@@H]1C ZINC000235352522 376638899 /nfs/dbraw/zinc/63/88/99/376638899.db2.gz KHKVPFOVHVYHRW-ZJUUUORDSA-N -1 3 267.756 3.164 20 0 CGADHM C[C@H]1CCCCCN1C(=O)c1cc([O-])ccc1Cl ZINC000235551445 376646708 /nfs/dbraw/zinc/64/67/08/376646708.db2.gz YITNFGYQTMIAFV-JTQLQIEISA-N -1 3 267.756 3.450 20 0 CGADHM CC(C)[C@H]1N(C(=O)c2cc(=O)c3ccccc3[n-]2)CC1(C)C ZINC000334367473 206434284 /nfs/dbraw/zinc/43/42/84/206434284.db2.gz KPLZGCHOARNLLT-MRXNPFEDSA-N -1 3 298.386 3.035 20 0 CGADHM CCC[C@@H]1CCCC[C@H]1NC(=O)c1cccc([O-])c1 ZINC000543745053 376673731 /nfs/dbraw/zinc/67/37/31/376673731.db2.gz OPKBNNUMMFTHCQ-IUODEOHRSA-N -1 3 261.365 3.481 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2csc(Br)c2)n1 ZINC000339116470 376690166 /nfs/dbraw/zinc/69/01/66/376690166.db2.gz MJGKUOYOTAIQHT-NSCUHMNNSA-N -1 3 297.177 3.485 20 0 CGADHM COc1ccc(NC(=O)[C@H](C)c2ccccc2F)c([O-])c1 ZINC000135428136 542087821 /nfs/dbraw/zinc/08/78/21/542087821.db2.gz MKYLTLVARCXCTM-SNVBAGLBSA-N -1 3 289.306 3.282 20 0 CGADHM O=C([O-])c1cnc2ccccc2c1N1C[C@H]2CCC[C@@H]2C1 ZINC000158184814 542141349 /nfs/dbraw/zinc/14/13/49/542141349.db2.gz QLZGTQWGYVWXFL-VXGBXAGGSA-N -1 3 282.343 3.169 20 0 CGADHM Cc1cccc(C(=O)N2CCC=C(c3cccnc3)C2)c1[O-] ZINC000556884366 376899812 /nfs/dbraw/zinc/89/98/12/376899812.db2.gz IRKFIQWEHTZNHK-UHFFFAOYSA-N -1 3 294.354 3.025 20 0 CGADHM Cc1cc(C(=O)Nc2c([O-])cccc2Cl)co1 ZINC000557181025 376924195 /nfs/dbraw/zinc/92/41/95/376924195.db2.gz LBPSOBOGHZPTJR-UHFFFAOYSA-N -1 3 251.669 3.199 20 0 CGADHM O=C(c1cccc([O-])c1)N1CCC2(C1)CCCCC2 ZINC000182509670 296253071 /nfs/dbraw/zinc/25/30/71/296253071.db2.gz FMNBMVUWLBHCGQ-UHFFFAOYSA-N -1 3 259.349 3.189 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])c1c[nH]c(-c2ccccc2)n1 ZINC000340313512 376997115 /nfs/dbraw/zinc/99/71/15/376997115.db2.gz GJGZAFMCEWOWEJ-UHFFFAOYSA-N -1 3 297.289 3.174 20 0 CGADHM C[C@@H](COc1ccccc1)C(=O)Nc1cc(F)ccc1[O-] ZINC000340329214 377005341 /nfs/dbraw/zinc/00/53/41/377005341.db2.gz LQEDOMPVNMJAOP-NSHDSACASA-N -1 3 289.306 3.185 20 0 CGADHM CSc1ccc(CN2CCC[C@H](CC(=O)[O-])C2)s1 ZINC000560928186 377200222 /nfs/dbraw/zinc/20/02/22/377200222.db2.gz YNTCDMUZHZLIFT-SNVBAGLBSA-N -1 3 285.434 3.157 20 0 CGADHM Cc1ccc(-c2nc(CC3CC(F)(F)C3)no2)c([O-])c1 ZINC000562568626 377331994 /nfs/dbraw/zinc/33/19/94/377331994.db2.gz OOMGDLZOUPNILF-UHFFFAOYSA-N -1 3 280.274 3.338 20 0 CGADHM CCc1cccc(NC(=O)c2cccc3nn[n-]c32)c1CC ZINC000562356694 377301241 /nfs/dbraw/zinc/30/12/41/377301241.db2.gz DGZSNAUZEYCLRI-UHFFFAOYSA-N -1 3 294.358 3.335 20 0 CGADHM CCc1cccc(NC(=O)c2cccc3[n-]nnc32)c1CC ZINC000562356694 377301250 /nfs/dbraw/zinc/30/12/50/377301250.db2.gz DGZSNAUZEYCLRI-UHFFFAOYSA-N -1 3 294.358 3.335 20 0 CGADHM CCc1cccc(NC(=O)c2cccc3n[n-]nc32)c1CC ZINC000562356694 377301260 /nfs/dbraw/zinc/30/12/60/377301260.db2.gz DGZSNAUZEYCLRI-UHFFFAOYSA-N -1 3 294.358 3.335 20 0 CGADHM Cc1cccc2c(=O)c(C(=O)N(C)CCC(C)C)c[n-]c12 ZINC000162033584 542161941 /nfs/dbraw/zinc/16/19/41/542161941.db2.gz HCSPARKACUMUAA-UHFFFAOYSA-N -1 3 286.375 3.367 20 0 CGADHM Cc1ccc(C(=O)N(C)[C@H](C)Cc2ccc(O)cc2)c([O-])c1 ZINC000092760446 249034172 /nfs/dbraw/zinc/03/41/72/249034172.db2.gz HZFKSUMZNWUJRF-CYBMUJFWSA-N -1 3 299.370 3.109 20 0 CGADHM O=[S@@](Cc1ccc2c(c1)CCC2)c1ccc([O-])cc1 ZINC000265201319 190165878 /nfs/dbraw/zinc/16/58/78/190165878.db2.gz LFNPBKNPYWUULL-IBGZPJMESA-N -1 3 272.369 3.189 20 0 CGADHM C[C@H]1CCCC[C@H]1CC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000518837677 249287567 /nfs/dbraw/zinc/28/75/67/249287567.db2.gz KAPVYKQSJJNWEY-RYUDHWBXSA-N -1 3 299.378 3.022 20 0 CGADHM C[C@H]1CCCC[C@H]1CC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000518837677 249287568 /nfs/dbraw/zinc/28/75/68/249287568.db2.gz KAPVYKQSJJNWEY-RYUDHWBXSA-N -1 3 299.378 3.022 20 0 CGADHM O=C(/C=C\c1cccnc1)Nc1ccc(Cl)cc1[O-] ZINC000254990513 377720826 /nfs/dbraw/zinc/72/08/26/377720826.db2.gz GGPGFAPQOLRFRG-UTCJRWHESA-N -1 3 274.707 3.093 20 0 CGADHM O=C([O-])c1cccc(CN2CCC[C@H]2c2ccccn2)c1 ZINC000575151514 377755725 /nfs/dbraw/zinc/75/57/25/377755725.db2.gz ZHHZMTRWDDHFJY-INIZCTEOSA-N -1 3 282.343 3.117 20 0 CGADHM Cc1nc2ccccc2c(N2CC[C@@H](C)[C@H](C(=O)[O-])C2)c1C ZINC000575311377 377877624 /nfs/dbraw/zinc/87/76/24/377877624.db2.gz COKIMBRIQRUDIF-IAQYHMDHSA-N -1 3 298.386 3.399 20 0 CGADHM O=C(c1cc([O-])ccc1Cl)N1CCc2cccc(F)c21 ZINC000343168707 377918986 /nfs/dbraw/zinc/91/89/86/377918986.db2.gz KHTBBNHXCLOYAO-UHFFFAOYSA-N -1 3 291.709 3.388 20 0 CGADHM Cc1ccsc1CN(C)Cc1cccc(C(=O)[O-])c1 ZINC000263229638 377923867 /nfs/dbraw/zinc/92/38/67/377923867.db2.gz CRYBPXDQZUSPKE-UHFFFAOYSA-N -1 3 275.373 3.387 20 0 CGADHM C[C@H](c1cc(F)ccc1F)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000263329029 377928125 /nfs/dbraw/zinc/92/81/25/377928125.db2.gz LDQOEACTNDEASJ-GMTAPVOTSA-N -1 3 283.318 3.068 20 0 CGADHM Cc1ccc(OCCN(C)Cc2cccc(C(=O)[O-])c2)cc1 ZINC000263436884 377936621 /nfs/dbraw/zinc/93/66/21/377936621.db2.gz CQDGBVJEHILABF-UHFFFAOYSA-N -1 3 299.370 3.204 20 0 CGADHM C[C@H]1C[C@H]1c1ccc(CN2CCC[C@H](C(=O)[O-])[C@@H]2C)o1 ZINC000263014009 377914018 /nfs/dbraw/zinc/91/40/18/377914018.db2.gz CPYVHZPHFCMASD-AUZPSNTRSA-N -1 3 277.364 3.088 20 0 CGADHM CC(C)(C)OCCN1[C@@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000576053982 378010218 /nfs/dbraw/zinc/01/02/18/378010218.db2.gz IQBAXSZVUDGICK-LSDHHAIUSA-N -1 3 291.391 3.092 20 0 CGADHM CC[C@@H](C)[C@@H](C)N(C(=O)c1ccccc1[O-])C1CC1 ZINC000264231227 377966598 /nfs/dbraw/zinc/96/65/98/377966598.db2.gz BEGRIGGFLSLEKZ-VXGBXAGGSA-N -1 3 261.365 3.431 20 0 CGADHM CC[C@@H](C)[C@@H](C)N(C(=O)c1ccc(OC)cc1[O-])C1CC1 ZINC000264363560 377980827 /nfs/dbraw/zinc/98/08/27/377980827.db2.gz JLIKGUSEGLFUBS-VXGBXAGGSA-N -1 3 291.391 3.440 20 0 CGADHM CCC(C)(C)[C@H](NCc1ccsc1Cl)C(=O)[O-] ZINC000564981772 322052276 /nfs/dbraw/zinc/05/22/76/322052276.db2.gz JIRKDLVBMCLDLQ-SECBINFHSA-N -1 3 275.801 3.381 20 0 CGADHM CN(Cc1cc(C(=O)[O-])co1)[C@@H]1CCCc2ccccc21 ZINC000575928864 378002113 /nfs/dbraw/zinc/00/21/13/378002113.db2.gz AWDZSBHRLKKJAQ-MRXNPFEDSA-N -1 3 285.343 3.487 20 0 CGADHM CCc1cccc(Cl)c1CN1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000578532170 378078178 /nfs/dbraw/zinc/07/81/78/378078178.db2.gz FCUAXUOROXGIPC-AAEUAGOBSA-N -1 3 295.810 3.445 20 0 CGADHM C[C@@H](CC(=O)[O-])N(C)Cc1cc(Cl)cc(Cl)c1 ZINC000579376864 378155339 /nfs/dbraw/zinc/15/53/39/378155339.db2.gz HMZYTKJLCRVKIT-QMMMGPOBSA-N -1 3 276.163 3.288 20 0 CGADHM CCC[C@@H]1CCCN(Cc2cc(C(=O)[O-])oc2C)C1 ZINC000579247200 378143851 /nfs/dbraw/zinc/14/38/51/378143851.db2.gz KQDKPGYRXSCSNV-GFCCVEGCSA-N -1 3 265.353 3.298 20 0 CGADHM CCCN(CC)C(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000269106870 378187831 /nfs/dbraw/zinc/18/78/31/378187831.db2.gz QNRZBPGSTYSWHL-UHFFFAOYSA-N -1 3 290.338 3.260 20 0 CGADHM C[C@]1(NCc2ncccc2[O-])CCCc2ccccc21 ZINC000580978506 378272519 /nfs/dbraw/zinc/27/25/19/378272519.db2.gz DCZLDRKOLYRBCH-KRWDZBQOSA-N -1 3 268.360 3.129 20 0 CGADHM CC[C@@H](SC)c1nc(-c2ccc([O-])cc2)no1 ZINC000269489777 378229158 /nfs/dbraw/zinc/22/91/58/378229158.db2.gz RYJHSBWWGWCYPI-SNVBAGLBSA-N -1 3 250.323 3.256 20 0 CGADHM C/C(=C\C(=O)Nc1ccc(Cl)cc1[O-])C1CC1 ZINC000270055300 378300600 /nfs/dbraw/zinc/30/06/00/378300600.db2.gz JKUSDBYPKVFDKD-SOFGYWHQSA-N -1 3 251.713 3.340 20 0 CGADHM CCS[C@@H]1CC[C@@H](N(C)Cc2ccc(C(=O)[O-])o2)C1 ZINC000583267824 378316278 /nfs/dbraw/zinc/31/62/78/378316278.db2.gz HSTSTPIDOQFJIP-ZYHUDNBSSA-N -1 3 283.393 3.084 20 0 CGADHM Cc1ccc([O-])c(NC(=O)CCc2ccc(Cl)s2)n1 ZINC000345935188 378412949 /nfs/dbraw/zinc/41/29/49/378412949.db2.gz UYDPTFAKNMZVHW-UHFFFAOYSA-N -1 3 296.779 3.382 20 0 CGADHM CC[C@@H]1CCC[C@@H]1CNC(=O)c1c[n-]nc1-c1ccccn1 ZINC000584035109 378369004 /nfs/dbraw/zinc/36/90/04/378369004.db2.gz CJYMGFRJJJCUDZ-CHWSQXEVSA-N -1 3 298.390 3.028 20 0 CGADHM CCCOc1cccc(C(=O)Nc2nc(C)ccc2[O-])c1 ZINC000345941431 378415550 /nfs/dbraw/zinc/41/55/50/378415550.db2.gz OHYXBRKROWFKGN-UHFFFAOYSA-N -1 3 286.331 3.137 20 0 CGADHM Cc1cccc([O-])c1NC(=O)c1ccc(C(C)C)nc1 ZINC000272418570 378633457 /nfs/dbraw/zinc/63/34/57/378633457.db2.gz GHHCDMMLGPFGCA-UHFFFAOYSA-N -1 3 270.332 3.471 20 0 CGADHM CCC[C@@H]1SCCN1C(=O)c1ccc([O-])c(C)c1 ZINC000272346211 378617101 /nfs/dbraw/zinc/61/71/01/378617101.db2.gz AIBJWJRDNGWNGN-ZDUSSCGKSA-N -1 3 265.378 3.016 20 0 CGADHM COc1ccccc1[C@H]1CCN(C(=O)c2cccc([O-])c2)C1 ZINC000272711693 378691555 /nfs/dbraw/zinc/69/15/55/378691555.db2.gz FCLATHBPPJIBFY-AWEZNQCLSA-N -1 3 297.354 3.031 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2scnc2C(C)(C)C)n1 ZINC000273443173 378745689 /nfs/dbraw/zinc/74/56/89/378745689.db2.gz GHJQGRNNKLDTEO-UHFFFAOYSA-N -1 3 291.376 3.102 20 0 CGADHM Cc1ncc(CN[C@H](C)c2cc3ccccc3o2)c(=O)[n-]1 ZINC000346792455 218015522 /nfs/dbraw/zinc/01/55/22/218015522.db2.gz KUDHEHHPGPNIRY-SNVBAGLBSA-N -1 3 283.331 3.088 20 0 CGADHM Cc1cccc2c1[C@H](C)C[C@H]2NCc1cnc(C)[n-]c1=O ZINC000346805222 218021254 /nfs/dbraw/zinc/02/12/54/218021254.db2.gz IAKNOXXVNOMKBC-IAQYHMDHSA-N -1 3 283.375 3.137 20 0 CGADHM CC[C@H]1CCCC[C@H]1OCC(=O)[N-]c1onc(C)c1C ZINC000274411676 378828152 /nfs/dbraw/zinc/82/81/52/378828152.db2.gz VQNUTHFYZWTIGG-QWHCGFSZSA-N -1 3 280.368 3.215 20 0 CGADHM CCN(C(=O)c1c[n-]c2c(C)cccc2c1=O)C(C)C ZINC000274837747 378904529 /nfs/dbraw/zinc/90/45/29/378904529.db2.gz AMEICFWBVYQODH-UHFFFAOYSA-N -1 3 272.348 3.119 20 0 CGADHM CC(C)(C)c1ccccc1NC(=O)NCc1ncccc1[O-] ZINC000348451414 378957199 /nfs/dbraw/zinc/95/71/99/378957199.db2.gz RACHQKRXXPUYIW-UHFFFAOYSA-N -1 3 299.374 3.406 20 0 CGADHM [O-]c1c(-c2nc(-c3cscn3)no2)ccc2c1CCCC2 ZINC000278715130 194117578 /nfs/dbraw/zinc/11/75/78/194117578.db2.gz OJGJSXDSLILQIR-UHFFFAOYSA-N -1 3 299.355 3.445 20 0 CGADHM CC[C@@H](C)[C@@H](NCc1ccc(F)cc1Cl)C(=O)[O-] ZINC000277142505 379080144 /nfs/dbraw/zinc/08/01/44/379080144.db2.gz CDVCSLMLWANPSU-PRHODGIISA-N -1 3 273.735 3.068 20 0 CGADHM CCc1ccc(CNCCCCCCCC(=O)[O-])o1 ZINC000277224777 379104432 /nfs/dbraw/zinc/10/44/32/379104432.db2.gz ICTYYEFBJWSJDQ-UHFFFAOYSA-N -1 3 267.369 3.357 20 0 CGADHM CCc1cnc([N-]C(=O)c2cc(C(C)C)no2)s1 ZINC000266378094 190253007 /nfs/dbraw/zinc/25/30/07/190253007.db2.gz JTSTVKWREXQEIJ-UHFFFAOYSA-N -1 3 265.338 3.069 20 0 CGADHM Cc1ccc(NC(=O)c2ccnn2-c2ccccc2)c([O-])c1 ZINC000349296378 379220124 /nfs/dbraw/zinc/22/01/24/379220124.db2.gz FNJKACXKIRNYPZ-UHFFFAOYSA-N -1 3 293.326 3.139 20 0 CGADHM CC[C@H](C)n1nc(NCc2cc([O-])cc(F)c2)cc1C ZINC000349598890 379316818 /nfs/dbraw/zinc/31/68/18/379316818.db2.gz NNGWYODGSOVQQT-JTQLQIEISA-N -1 3 277.343 3.041 20 0 CGADHM CCOc1cc(-c2noc([C@@H](C)C3CC3)n2)ccc1[O-] ZINC000278206202 379317735 /nfs/dbraw/zinc/31/77/35/379317735.db2.gz YVPYTZCLLULLCE-VIFPVBQESA-N -1 3 274.320 3.354 20 0 CGADHM O=C(C1Cc2ccccc2C1)N1CCCc2cccc([O-])c21 ZINC000278220264 379321528 /nfs/dbraw/zinc/32/15/28/379321528.db2.gz WZHIKKUZDPGHJO-UHFFFAOYSA-N -1 3 293.366 3.086 20 0 CGADHM O=C(c1csc(=O)[n-]1)N1CCCC2(CCCCC2)CC1 ZINC000335809976 296297142 /nfs/dbraw/zinc/29/71/42/296297142.db2.gz WXYYFPXCXWSBLZ-UHFFFAOYSA-N -1 3 294.420 3.425 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N2CCC[C@H]2c2ccsc2)n1 ZINC000279411759 379428686 /nfs/dbraw/zinc/42/86/86/379428686.db2.gz JOAGALLALGLZSB-AAEUAGOBSA-N -1 3 289.404 3.450 20 0 CGADHM CCc1cc2c([n-]c(-c3ccc(F)cn3)nc2=O)s1 ZINC000352204775 379755136 /nfs/dbraw/zinc/75/51/36/379755136.db2.gz BHAFASJVSLRGCL-UHFFFAOYSA-N -1 3 275.308 3.160 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)c1[O-] ZINC000377925202 379758371 /nfs/dbraw/zinc/75/83/71/379758371.db2.gz UWZFEFJKXLPOKV-NURSFMCSSA-N -1 3 295.766 3.108 20 0 CGADHM CC[C@@H](C)[C@@H](C(=O)NCc1ncccc1[O-])c1ccccc1 ZINC000352502634 379838381 /nfs/dbraw/zinc/83/83/81/379838381.db2.gz WZIHUODGUICPSP-CXAGYDPISA-N -1 3 298.386 3.233 20 0 CGADHM C[C@@H]1CCC[C@@H](C)N1CCNCc1c(F)ccc([O-])c1F ZINC000352467457 379828031 /nfs/dbraw/zinc/82/80/31/379828031.db2.gz KSLBWIZMJKUJCL-VXGBXAGGSA-N -1 3 298.377 3.023 20 0 CGADHM Cc1cccc([O-])c1NC(=O)[C@@H]1CCCC(F)(F)C1 ZINC000282673967 379965711 /nfs/dbraw/zinc/96/57/11/379965711.db2.gz HTDBYTDQSCKQQF-SNVBAGLBSA-N -1 3 269.291 3.465 20 0 CGADHM Cc1cccc([O-])c1NC(=O)[C@H]1CCCC(F)(F)C1 ZINC000282673961 379965741 /nfs/dbraw/zinc/96/57/41/379965741.db2.gz HTDBYTDQSCKQQF-JTQLQIEISA-N -1 3 269.291 3.465 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)c2cn(C(C)C)cn2)c1[O-] ZINC000282705022 379974252 /nfs/dbraw/zinc/97/42/52/379974252.db2.gz KTYUCUPCMITRKQ-UHFFFAOYSA-N -1 3 293.754 3.384 20 0 CGADHM Cc1scc(CNCc2ccccc2CC(=O)[O-])c1C ZINC000399809937 379945364 /nfs/dbraw/zinc/94/53/64/379945364.db2.gz LOBHCVOUGWAHRR-UHFFFAOYSA-N -1 3 289.400 3.282 20 0 CGADHM CC[C@@H](C)C[C@@H](C)[N-]S(=O)(=O)c1ccc(C)cc1F ZINC000404858619 379984209 /nfs/dbraw/zinc/98/42/09/379984209.db2.gz BMEPUYUITRMRNJ-ZYHUDNBSSA-N -1 3 287.400 3.237 20 0 CGADHM CCc1cc(=O)[n-]c(CN([C@@H](C)c2ccccc2)C2CC2)n1 ZINC000352838729 379995480 /nfs/dbraw/zinc/99/54/80/379995480.db2.gz MKWIJYYRTGXREA-ZDUSSCGKSA-N -1 3 297.402 3.470 20 0 CGADHM C[C@@H]1CCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)[C@H]1C ZINC000408345978 380005852 /nfs/dbraw/zinc/00/58/52/380005852.db2.gz HHRFWUKJEXXHLO-MNOVXSKESA-N -1 3 297.358 3.312 20 0 CGADHM Cc1ccc(NC(=O)[C@](C)(O)CCc2ccccc2)c([O-])c1 ZINC000282951861 380015911 /nfs/dbraw/zinc/01/59/11/380015911.db2.gz UBTCNOGWHXCICD-GOSISDBHSA-N -1 3 299.370 3.023 20 0 CGADHM CCc1cc(=O)[n-]c(CN(Cc2cccs2)C(C)C)n1 ZINC000268215373 190386865 /nfs/dbraw/zinc/38/68/65/190386865.db2.gz LBYSCUGNNOODNY-UHFFFAOYSA-N -1 3 291.420 3.217 20 0 CGADHM COCCN(Cc1c(F)ccc([O-])c1F)[C@H]1CC[C@H](C)C1 ZINC000353171304 380153320 /nfs/dbraw/zinc/15/33/20/380153320.db2.gz IAHSOZCVLANQPR-RYUDHWBXSA-N -1 3 299.361 3.307 20 0 CGADHM [O-]c1ccc(Cc2nc([C@H]3CCC(F)(F)C3)no2)cc1F ZINC000334691676 206920430 /nfs/dbraw/zinc/92/04/30/206920430.db2.gz CLBGFXFZNIUWDF-VIFPVBQESA-N -1 3 298.264 3.408 20 0 CGADHM O=C([O-])[C@H]1CCN(Cc2ccc(-c3ccccc3)cc2F)C1 ZINC000414673305 380366130 /nfs/dbraw/zinc/36/61/30/380366130.db2.gz DBNVFACINLAGGO-INIZCTEOSA-N -1 3 299.345 3.399 20 0 CGADHM CC[C@H](C)CCC(=O)N1CCCc2cccc([O-])c21 ZINC000354427487 380434658 /nfs/dbraw/zinc/43/46/58/380434658.db2.gz KCKFKUQDLDKLCP-LBPRGKRZSA-N -1 3 261.365 3.498 20 0 CGADHM Cc1ccc(C(=O)NC2(C(F)F)CCCC2)c([O-])c1C ZINC000644559176 380450348 /nfs/dbraw/zinc/45/03/48/380450348.db2.gz NRWZWIVQULOXTA-UHFFFAOYSA-N -1 3 283.318 3.317 20 0 CGADHM O=C(Nc1cnoc1)c1cc2cc(Cl)sc2[n-]1 ZINC000643969316 380404058 /nfs/dbraw/zinc/40/40/58/380404058.db2.gz KFTGOOPSMWXKDB-UHFFFAOYSA-N -1 3 267.697 3.123 20 0 CGADHM CC(C)Oc1ccccc1CC(=O)Nc1ccccc1[O-] ZINC000354754425 380550104 /nfs/dbraw/zinc/55/01/04/380550104.db2.gz ZGEQFVHJWFTDKI-UHFFFAOYSA-N -1 3 285.343 3.361 20 0 CGADHM Cc1sccc1CN[C@@H](CC(=O)[O-])c1ccsc1 ZINC000417541469 380634327 /nfs/dbraw/zinc/63/43/27/380634327.db2.gz YHNACDQSVJLRFA-LBPRGKRZSA-N -1 3 281.402 3.424 20 0 CGADHM O=C([O-])C[C@@H](CNCc1ccco1)c1ccc(Cl)cc1 ZINC000417535473 380634533 /nfs/dbraw/zinc/63/45/33/380634533.db2.gz CIRUFAMPEKIRQO-LBPRGKRZSA-N -1 3 293.750 3.281 20 0 CGADHM CCc1cnc(CN[C@H]2CCCCCC[C@H]2C(=O)[O-])s1 ZINC000417567594 380640290 /nfs/dbraw/zinc/64/02/90/380640290.db2.gz SOLVSPDQSQODRJ-OLZOCXBDSA-N -1 3 296.436 3.219 20 0 CGADHM CC(C)(C)C[C@@H](CC(=O)[O-])NCc1csc(C2CC2)n1 ZINC000417587141 380644667 /nfs/dbraw/zinc/64/46/67/380644667.db2.gz NPJJSTPILOFGPT-LLVKDONJSA-N -1 3 296.436 3.390 20 0 CGADHM CO[C@@H]1[C@@H](C)[C@H](NCc2cccc([O-])c2Cl)C1(C)C ZINC000645171477 380603480 /nfs/dbraw/zinc/60/34/80/380603480.db2.gz KGXMKKNIOAGEEG-QCZZGDTMSA-N -1 3 283.799 3.195 20 0 CGADHM C[C@@H](C(=O)[O-])[C@H](C)NCc1c(Cl)oc2ccccc21 ZINC000417609355 380649775 /nfs/dbraw/zinc/64/97/75/380649775.db2.gz KLFMIGTYDXBQAS-BDAKNGLRSA-N -1 3 281.739 3.285 20 0 CGADHM C[C@@H](C(=O)[O-])[C@H](C)NCc1cc(Cl)ccc1Cl ZINC000417614532 380652118 /nfs/dbraw/zinc/65/21/18/380652118.db2.gz RZARJLOLFIZCOA-SFYZADRCSA-N -1 3 276.163 3.192 20 0 CGADHM O=C([O-])C1(CNCc2ccc(Cl)cc2Cl)CCC1 ZINC000417621922 380654523 /nfs/dbraw/zinc/65/45/23/380654523.db2.gz NNKUNMNDGVKPIN-UHFFFAOYSA-N -1 3 288.174 3.338 20 0 CGADHM Cc1cc(C(F)(F)F)ccc1CN[C@@H]1C=C[C@H](C(=O)[O-])C1 ZINC000417622454 380654860 /nfs/dbraw/zinc/65/48/60/380654860.db2.gz OITBCKADRGYYTL-GXFFZTMASA-N -1 3 299.292 3.133 20 0 CGADHM Cc1cccc(CN[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)c1 ZINC000417632281 380658198 /nfs/dbraw/zinc/65/81/98/380658198.db2.gz ZRNCSXPBSXMWLP-IAGOWNOFSA-N -1 3 281.355 3.398 20 0 CGADHM Cc1cccc(CN[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)c1 ZINC000417632280 380658262 /nfs/dbraw/zinc/65/82/62/380658262.db2.gz ZRNCSXPBSXMWLP-DLBZAZTESA-N -1 3 281.355 3.398 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2cc(O)cc(C(F)(F)F)c2)n1 ZINC000357065399 381017543 /nfs/dbraw/zinc/01/75/43/381017543.db2.gz ACLLGZRESKBKLE-IHWYPQMZSA-N -1 3 296.248 3.385 20 0 CGADHM Cn1ccc2cccc([N-]S(=O)(=O)CCC(C)(C)C)c21 ZINC000357084195 381024076 /nfs/dbraw/zinc/02/40/76/381024076.db2.gz ZGLRFIGTABBGTN-UHFFFAOYSA-N -1 3 294.420 3.356 20 0 CGADHM C[C@@H]1CCN(C(=O)c2csc(=O)[n-]2)[C@@H](c2ccco2)C1 ZINC000334851091 207185379 /nfs/dbraw/zinc/18/53/79/207185379.db2.gz MUWCZFJJJOWDAJ-MWLCHTKSSA-N -1 3 292.360 3.055 20 0 CGADHM Cc1cc(C(=O)N(C)[C@@H](C)c2cccc(O)c2)ccc1[O-] ZINC000334890503 207250998 /nfs/dbraw/zinc/25/09/98/207250998.db2.gz KPBHYGOLXKUBPT-LBPRGKRZSA-N -1 3 285.343 3.239 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N2CCC[C@H](C(C)(C)C)C2)n1 ZINC000361547409 381797242 /nfs/dbraw/zinc/79/72/42/381797242.db2.gz FOTVFHGZVGXVQR-STQMWFEESA-N -1 3 277.412 3.310 20 0 CGADHM O=S(=O)([N-]c1cccc(F)c1F)C1=CCCCC1 ZINC000280684781 194928507 /nfs/dbraw/zinc/92/85/07/194928507.db2.gz BEBUXQCVTQCFQK-UHFFFAOYSA-N -1 3 273.304 3.164 20 0 CGADHM C[C@H]1CCCC[C@H]1C(=O)Nc1ccc([O-])cc1F ZINC000335106684 207680069 /nfs/dbraw/zinc/68/00/69/207680069.db2.gz GNZXWFQKCHGFHI-GXSJLCMTSA-N -1 3 251.301 3.296 20 0 CGADHM COc1cccc(C(=O)N2CC[C@@]3(CC[C@H](C)C3)C2)c1[O-] ZINC000335289174 208113035 /nfs/dbraw/zinc/11/30/35/208113035.db2.gz FCCCBBYZGVROMM-YVEFUNNKSA-N -1 3 289.375 3.053 20 0 CGADHM C[C@@H]1CN(C(=O)CCc2ccc3ccccc3c2[O-])[C@@H]1C ZINC000335400192 208373637 /nfs/dbraw/zinc/37/36/37/208373637.db2.gz QOQVZBWBEBDLRK-CHWSQXEVSA-N -1 3 283.371 3.345 20 0 CGADHM CSc1ccccc1S(=O)(=O)[N-]c1ccccc1F ZINC000188245335 533055228 /nfs/dbraw/zinc/05/52/28/533055228.db2.gz JOVQHYJHAWVHCJ-UHFFFAOYSA-N -1 3 297.376 3.348 20 0 CGADHM Cc1ccc(NC(=O)c2nnc(C(C)(C)C)s2)c([O-])c1 ZINC000281125312 195114383 /nfs/dbraw/zinc/11/43/83/195114383.db2.gz IMKAPTDNPFKGAQ-UHFFFAOYSA-N -1 3 291.376 3.102 20 0 CGADHM CC1(C)CCN(C(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000280285085 542380932 /nfs/dbraw/zinc/38/09/32/542380932.db2.gz GGJAFOZNOQCYKJ-UHFFFAOYSA-N -1 3 269.344 3.418 20 0 CGADHM O=C(NC1CC(F)(F)C1)c1cc([O-])c2ccccc2c1 ZINC000281251368 542383723 /nfs/dbraw/zinc/38/37/23/542383723.db2.gz PUGOMVULWNAMFS-UHFFFAOYSA-N -1 3 277.270 3.073 20 0 CGADHM O=C(NC[C@@H]1CCSC1)c1cc([O-])c2ccccc2c1 ZINC000281329079 542383907 /nfs/dbraw/zinc/38/39/07/542383907.db2.gz VZPRBOIXXKBPQA-NSHDSACASA-N -1 3 287.384 3.028 20 0 CGADHM C[C@@H](NC(=O)c1cc([O-])c2ccccc2c1)C1CCOCC1 ZINC000281760842 542384228 /nfs/dbraw/zinc/38/42/28/542384228.db2.gz YVWHBHHGTALTNN-GFCCVEGCSA-N -1 3 299.370 3.090 20 0 CGADHM O=[S@@](Cc1cc2ccccc2o1)c1cccc([O-])c1 ZINC000350507897 219032064 /nfs/dbraw/zinc/03/20/64/219032064.db2.gz JGSJYCJQPKRIEM-IBGZPJMESA-N -1 3 272.325 3.446 20 0 CGADHM Cc1ccc(C(=O)N(C)Cc2ccccc2N(C)C)c([O-])c1 ZINC000288879942 197184335 /nfs/dbraw/zinc/18/43/35/197184335.db2.gz HRCRMBRTHKNTCL-UHFFFAOYSA-N -1 3 298.386 3.039 20 0 CGADHM C[C@H]1CC(NC(=O)c2cc([O-])c3ccccc3c2)C[C@H](C)O1 ZINC000335169154 542465042 /nfs/dbraw/zinc/46/50/42/542465042.db2.gz NAZVDCKXHCCAGI-RYUDHWBXSA-N -1 3 299.370 3.231 20 0 CGADHM O=C(NCc1ccco1)c1cc([O-])c2ccccc2c1 ZINC000349279453 542525397 /nfs/dbraw/zinc/52/53/97/542525397.db2.gz HQIFTTIYDZKPKP-UHFFFAOYSA-N -1 3 267.284 3.068 20 0 CGADHM COc1ccc(NC(=O)c2cccc3oc(C)nc32)c([O-])c1 ZINC000352064650 542552548 /nfs/dbraw/zinc/55/25/48/542552548.db2.gz AUWPZTYHIAEPCZ-UHFFFAOYSA-N -1 3 298.298 3.103 20 0 CGADHM Cc1nn(C)c(NC(=O)c2cc([O-])c3ccccc3c2)c1C ZINC000354243547 542562521 /nfs/dbraw/zinc/56/25/21/542562521.db2.gz LIWBNSGQPYKJGZ-UHFFFAOYSA-N -1 3 295.342 3.148 20 0 CGADHM CCCc1cnc([N-]C(=O)c2cc(C3CC3)no2)s1 ZINC000281559010 195288231 /nfs/dbraw/zinc/28/82/31/195288231.db2.gz CRVXZVFJFFIXEE-UHFFFAOYSA-N -1 3 277.349 3.213 20 0 CGADHM [O-]c1ccc(-c2noc(-c3cc(F)ccc3F)n2)cc1 ZINC000020362914 285382774 /nfs/dbraw/zinc/38/27/74/285382774.db2.gz OTDVABBODOHQDE-UHFFFAOYSA-N -1 3 274.226 3.387 20 0 CGADHM [O-]c1ccc(-c2noc([C@H]3CCOc4ccccc43)n2)cc1 ZINC000315010560 285383310 /nfs/dbraw/zinc/38/33/10/285383310.db2.gz FXZJQZARGLUTAJ-AWEZNQCLSA-N -1 3 294.310 3.357 20 0 CGADHM C[C@@H](NC(=O)c1ccc(O)cc1[O-])[C@@H](C)c1ccccc1 ZINC000175547227 533290506 /nfs/dbraw/zinc/29/05/06/533290506.db2.gz ZNISIOJLSBLHAJ-VXGBXAGGSA-N -1 3 285.343 3.020 20 0 CGADHM COc1cccc(C(=O)NC[C@@H](C)c2cccc(C)c2)c1[O-] ZINC000436995540 533408139 /nfs/dbraw/zinc/40/81/39/533408139.db2.gz IUTXRZJWUTXGGB-CYBMUJFWSA-N -1 3 299.370 3.243 20 0 CGADHM COc1c(F)cc(F)cc1NC(=O)c1ccc(C)cc1[O-] ZINC000436586181 533430044 /nfs/dbraw/zinc/43/00/44/533430044.db2.gz LMSQIAGYGQUOOR-UHFFFAOYSA-N -1 3 293.269 3.240 20 0 CGADHM C[C@@H](CCC(=O)[O-])CNCc1ccc(Cl)cc1F ZINC000426633350 533515952 /nfs/dbraw/zinc/51/59/52/533515952.db2.gz FGCXIECCMULLRB-VIFPVBQESA-N -1 3 273.735 3.070 20 0 CGADHM Cc1ccc(C(=O)N[C@H](C)c2ccc3n[nH]cc3c2)c([O-])c1 ZINC000436698390 533592297 /nfs/dbraw/zinc/59/22/97/533592297.db2.gz MEKMGWQMDLYVPS-LLVKDONJSA-N -1 3 295.342 3.068 20 0 CGADHM Cc1ccc(C(=O)Nc2cnn([C@H](C)C3CC3)c2)c([O-])c1C ZINC000436817797 533619219 /nfs/dbraw/zinc/61/92/19/533619219.db2.gz YPDIQBJIABBSMF-GFCCVEGCSA-N -1 3 299.374 3.429 20 0 CGADHM Cc1ccc(C(=O)Nc2cnc(C(C)C)nc2)c([O-])c1C ZINC000436927453 533619579 /nfs/dbraw/zinc/61/95/79/533619579.db2.gz NUNKBKZRQMIGIR-UHFFFAOYSA-N -1 3 285.347 3.175 20 0 CGADHM CC(=O)CC(C)(C)CC(=O)Nc1ccc(Cl)cc1[O-] ZINC000191939828 130335855 /nfs/dbraw/zinc/33/58/55/130335855.db2.gz TWSGFRBWGXQDNV-UHFFFAOYSA-N -1 3 283.755 3.380 20 0 CGADHM CCc1nc(NC(=O)c2cccc(C)c2[O-])sc1C ZINC000048193409 391994884 /nfs/dbraw/zinc/99/48/84/391994884.db2.gz RJUPFONXVRAUJJ-UHFFFAOYSA-N -1 3 276.361 3.280 20 0 CGADHM O=C([O-])C[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000054300321 392091396 /nfs/dbraw/zinc/09/13/96/392091396.db2.gz REDGOKSTHJWHMK-LLVKDONJSA-N -1 3 267.756 3.027 20 0 CGADHM COc1ccc([O-])c(C(=O)Nc2ccc3c(c2)CCC3)c1 ZINC000050279532 392063443 /nfs/dbraw/zinc/06/34/43/392063443.db2.gz ZGYJXQXYCWKGHK-UHFFFAOYSA-N -1 3 283.327 3.142 20 0 CGADHM O=C([O-])[C@H](NC/C=C/c1ccccc1)c1ccccc1 ZINC000050510565 392064928 /nfs/dbraw/zinc/06/49/28/392064928.db2.gz AQYMZBKPSAJPJI-OJXHRBAXSA-N -1 3 267.328 3.115 20 0 CGADHM C[C@@H](CCNC(=O)c1ccccc1[O-])c1ccccc1 ZINC000060393993 392120931 /nfs/dbraw/zinc/12/09/31/392120931.db2.gz GBDRNHGZGXIJRG-ZDUSSCGKSA-N -1 3 269.344 3.316 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CCC3(CCCC3)CC2)c1 ZINC000062959693 392135223 /nfs/dbraw/zinc/13/52/23/392135223.db2.gz PIKFNGOTMPBGDZ-UHFFFAOYSA-N -1 3 273.376 3.497 20 0 CGADHM O=C(Nc1ccccc1[O-])[C@@H]1CCCC(F)(F)C1 ZINC000282024159 392273495 /nfs/dbraw/zinc/27/34/95/392273495.db2.gz KLZVTUWQHYCKQG-SECBINFHSA-N -1 3 255.264 3.156 20 0 CGADHM COc1ccsc1C(=O)[N-]c1nnc(C(C)(C)C)s1 ZINC000105953980 392296749 /nfs/dbraw/zinc/29/67/49/392296749.db2.gz YLTNVNKDKWEDST-UHFFFAOYSA-N -1 3 297.405 3.158 20 0 CGADHM O=C(c1cc([O-])ccc1Cl)N1CCC[C@@H]2CCC[C@H]21 ZINC000236604251 130961559 /nfs/dbraw/zinc/96/15/59/130961559.db2.gz AGUCKCHBVOKIGG-IINYFYTJSA-N -1 3 279.767 3.450 20 0 CGADHM CCO[N-]C(=O)[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000107572111 392326233 /nfs/dbraw/zinc/32/62/33/392326233.db2.gz QULNUFYTQSUCRR-LSDHHAIUSA-N -1 3 255.317 3.011 20 0 CGADHM COc1ccc(NC(=O)C2=CC[C@H](C)CC2)c([O-])c1 ZINC000456031129 542687599 /nfs/dbraw/zinc/68/75/99/542687599.db2.gz SPUCOXRODCZGKO-JTQLQIEISA-N -1 3 261.321 3.086 20 0 CGADHM Cc1csc(C2(NCc3nc(C)ccc3[O-])CCC2)n1 ZINC000264031921 131383409 /nfs/dbraw/zinc/38/34/09/131383409.db2.gz DWFQRTCPELRLHN-UHFFFAOYSA-N -1 3 289.404 3.030 20 0 CGADHM CCO[C@@H]1CCC[C@H]1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000456918638 542689188 /nfs/dbraw/zinc/68/91/88/542689188.db2.gz ACPGUBMUTOURDS-NVXWUHKLSA-N -1 3 299.370 3.233 20 0 CGADHM Cc1nsc(C)c1C(=O)N1CCCc2cccc([O-])c21 ZINC000294638986 392538285 /nfs/dbraw/zinc/53/82/85/392538285.db2.gz REAHGWDSNIAVIA-UHFFFAOYSA-N -1 3 288.372 3.059 20 0 CGADHM CC(C)c1ccc(C(=O)N2CCCSCC2)c([O-])c1 ZINC000299272409 392578998 /nfs/dbraw/zinc/57/89/98/392578998.db2.gz VMLBUEXPKIOKQB-UHFFFAOYSA-N -1 3 279.405 3.095 20 0 CGADHM C[C@@H]1CC[C@@H]1NCc1cccc([O-])c1Br ZINC000315711642 392669112 /nfs/dbraw/zinc/66/91/12/392669112.db2.gz LZCAIVRAILFUMA-SCZZXKLOSA-N -1 3 270.170 3.043 20 0 CGADHM CC(C)CCCCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000457526589 392679433 /nfs/dbraw/zinc/67/94/33/392679433.db2.gz IRUCGHUKILUWJE-UHFFFAOYSA-N -1 3 287.367 3.022 20 0 CGADHM CC(C)CCCCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000457526589 392679441 /nfs/dbraw/zinc/67/94/41/392679441.db2.gz IRUCGHUKILUWJE-UHFFFAOYSA-N -1 3 287.367 3.022 20 0 CGADHM CCOC(=O)c1ccc(NC(=O)[C@H](C)[C@@H](C)CC)c([O-])c1 ZINC000506479008 392726518 /nfs/dbraw/zinc/72/65/18/392726518.db2.gz IBJVVEAVQOLVJK-WDEREUQCSA-N -1 3 293.363 3.190 20 0 CGADHM CC[C@@H](C)[C@@H](C)C(=O)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000505799874 392699285 /nfs/dbraw/zinc/69/92/85/392699285.db2.gz XCCJYVCBNGLNQH-VXGBXAGGSA-N -1 3 271.364 3.119 20 0 CGADHM Cc1ccc(C(=O)N2CC[C@H](C)c3cccc([O-])c32)o1 ZINC000186253307 392779885 /nfs/dbraw/zinc/77/98/85/392779885.db2.gz MWAOMLJUDSKHGP-JTQLQIEISA-N -1 3 271.316 3.448 20 0 CGADHM CC[C@H](SC)C(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000186342366 392783214 /nfs/dbraw/zinc/78/32/14/392783214.db2.gz FTFJOGPADDDYRO-MFKMUULPSA-N -1 3 279.405 3.374 20 0 CGADHM O=C(CC1=CCCCC1)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000647800302 392801152 /nfs/dbraw/zinc/80/11/52/392801152.db2.gz VRBCENHANBELQL-UHFFFAOYSA-N -1 3 271.320 3.098 20 0 CGADHM CC(C)C[C@@H]1C[C@H]1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000457984351 392809345 /nfs/dbraw/zinc/80/93/45/392809345.db2.gz COBFGARYAVOUCH-UKRRQHHQSA-N -1 3 293.382 3.405 20 0 CGADHM O=c1[n-]c(CSc2ccc(F)cc2)nc2cccnc12 ZINC000491604381 542718116 /nfs/dbraw/zinc/71/81/16/542718116.db2.gz LWQLTDMQRYPBCA-UHFFFAOYSA-N -1 3 287.319 3.162 20 0 CGADHM COc1ccc(NC(=O)c2ccccc2OC2CC2)c([O-])c1 ZINC000507559465 542728535 /nfs/dbraw/zinc/72/85/35/542728535.db2.gz YGMXDFRUYIVGSC-UHFFFAOYSA-N -1 3 299.326 3.194 20 0 CGADHM CCN(CC)c1ccc(NC(=O)c2cccc(C)c2[O-])cn1 ZINC000195625833 392971643 /nfs/dbraw/zinc/97/16/43/392971643.db2.gz VNTKXZINTCIMDH-UHFFFAOYSA-N -1 3 299.374 3.194 20 0 CGADHM Cc1ccoc1CNC(=O)c1cc([O-])c2ccccc2c1 ZINC000343606045 393030378 /nfs/dbraw/zinc/03/03/78/393030378.db2.gz MBIGDDZZHDXVSK-UHFFFAOYSA-N -1 3 281.311 3.377 20 0 CGADHM O=C([O-])c1ccc(CN2CCC[C@@H]3CCC[C@H]32)c(F)c1 ZINC000228073596 393019054 /nfs/dbraw/zinc/01/90/54/393019054.db2.gz CXJZTGAJEJXMTI-XHDPSFHLSA-N -1 3 277.339 3.288 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)[C@@H]2C[C@@]2(C)C(C)C)c1-c1ccccc1 ZINC000547533942 393129185 /nfs/dbraw/zinc/12/91/85/393129185.db2.gz OCAPEEWVHWKXQR-KSSFIOAISA-N -1 3 297.402 3.428 20 0 CGADHM CCCn1c(=O)[n-]nc1SCc1cccc(CC)c1 ZINC000468473660 393146497 /nfs/dbraw/zinc/14/64/97/393146497.db2.gz ZEJVNRGKCQBCKX-UHFFFAOYSA-N -1 3 277.393 3.248 20 0 CGADHM C[C@@H]1CCN(C(=O)C2CCSCC2)c2c([O-])cccc21 ZINC000274422998 393284554 /nfs/dbraw/zinc/28/45/54/393284554.db2.gz YMIOSKOTSCAEFG-LLVKDONJSA-N -1 3 291.416 3.376 20 0 CGADHM CC(=O)c1cccc(NC(=O)C2=CCCCCC2)c1[O-] ZINC000648904369 393286514 /nfs/dbraw/zinc/28/65/14/393286514.db2.gz PEUSSUGVCFWLQO-UHFFFAOYSA-N -1 3 273.332 3.424 20 0 CGADHM O=C(Nc1ncccc1[O-])[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000273029668 393267919 /nfs/dbraw/zinc/26/79/19/393267919.db2.gz DGXNVLZUAQOQCG-IUCAKERBSA-N -1 3 288.269 3.094 20 0 CGADHM COc1cccc(SC)c1[N-]C(=O)c1oc(C)nc1C ZINC000416120671 393268892 /nfs/dbraw/zinc/26/88/92/393268892.db2.gz HWTYSVQWRHIPGC-UHFFFAOYSA-N -1 3 292.360 3.274 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)c1cccc(Cl)c1 ZINC000649234061 393380821 /nfs/dbraw/zinc/38/08/21/393380821.db2.gz QMOPTQNLSWJNGR-UHFFFAOYSA-N -1 3 277.755 3.169 20 0 CGADHM CN(C(=O)c1cc2c(cc1[O-])CCCC2)C(C)(C)C ZINC000649119110 393346772 /nfs/dbraw/zinc/34/67/72/393346772.db2.gz VTFPCEAHSPWFAU-UHFFFAOYSA-N -1 3 261.365 3.142 20 0 CGADHM Clc1cc2cc(-c3nc([C@H]4CCCN4)no3)[n-]c2s1 ZINC000647144984 393348009 /nfs/dbraw/zinc/34/80/09/393348009.db2.gz KVYXRPGHWOMGTJ-SSDOTTSWSA-N -1 3 294.767 3.357 20 0 CGADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000649167485 393365044 /nfs/dbraw/zinc/36/50/44/393365044.db2.gz SOMYVQHBCCYQKS-MELADBBJSA-N -1 3 291.366 3.159 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)C(C)(C)C1CCCC1 ZINC000649230656 393377891 /nfs/dbraw/zinc/37/78/91/393377891.db2.gz RQCSOFOEQIZAOY-UHFFFAOYSA-N -1 3 277.412 3.418 20 0 CGADHM Cc1cccc2c1ncc(C)c2N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000649404862 393412945 /nfs/dbraw/zinc/41/29/45/393412945.db2.gz XUXOCOQCGWZZMK-KGLIPLIRSA-N -1 3 298.386 3.399 20 0 CGADHM CCc1cc(C(=O)N2CC(C)(C)[C@@H]2C(C)C)ccc1[O-] ZINC000480474702 393435052 /nfs/dbraw/zinc/43/50/52/393435052.db2.gz BSFRWBFKSYNKAY-HNNXBMFYSA-N -1 3 275.392 3.461 20 0 CGADHM Cc1oncc1NCc1cc([O-])cc(C(F)(F)F)c1 ZINC000356426642 393440956 /nfs/dbraw/zinc/44/09/56/393440956.db2.gz YLXWWPJRBSZQMF-UHFFFAOYSA-N -1 3 272.226 3.320 20 0 CGADHM O=C([O-])[C@H](CNCc1cccc(Cl)c1F)CC1CC1 ZINC000649512071 393464633 /nfs/dbraw/zinc/46/46/33/393464633.db2.gz YVFAKNYQCRQGBY-NSHDSACASA-N -1 3 285.746 3.070 20 0 CGADHM Cc1cc(C(=O)N[C@@H]2CCCc3c(O)cccc32)ccc1[O-] ZINC000360331050 393563696 /nfs/dbraw/zinc/56/36/96/393563696.db2.gz YLLVHMSPEXTISL-OAHLLOKOSA-N -1 3 297.354 3.214 20 0 CGADHM CC[C@@H](C)C[C@@H](C)[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000360876925 393603609 /nfs/dbraw/zinc/60/36/09/393603609.db2.gz DFWMPLLMUSDPNF-NXEZZACHSA-N -1 3 291.363 3.068 20 0 CGADHM CCCc1nc(C(=O)[N-]c2ccc(O)cc2SC)co1 ZINC000490239944 393636476 /nfs/dbraw/zinc/63/64/76/393636476.db2.gz HXKMVUZKNSPKCD-UHFFFAOYSA-N -1 3 292.360 3.307 20 0 CGADHM O=C(/C=C\c1ccc(F)c(Cl)c1)[N-]O[C@@H]1CCCCO1 ZINC000491353458 393682848 /nfs/dbraw/zinc/68/28/48/393682848.db2.gz WOAHIKNHJPNQGB-BRLPQQTGSA-N -1 3 299.729 3.067 20 0 CGADHM CC(C)CCO[C@H](C)C(=O)N1CCCc2cccc([O-])c21 ZINC000490887139 393659891 /nfs/dbraw/zinc/65/98/91/393659891.db2.gz JUKRBDWMHFQXCX-CYBMUJFWSA-N -1 3 291.391 3.123 20 0 CGADHM Cc1ccc(NC(=O)c2noc(-c3ccccc3)n2)c([O-])c1 ZINC000433127856 393688103 /nfs/dbraw/zinc/68/81/03/393688103.db2.gz JMNATNJUAZJPNN-UHFFFAOYSA-N -1 3 295.298 3.003 20 0 CGADHM CCCc1ccccc1NC(=O)c1cc(F)cc2[n-]nnc21 ZINC000433224291 393700648 /nfs/dbraw/zinc/70/06/48/393700648.db2.gz YLLUAWGLMFIPGH-UHFFFAOYSA-N -1 3 298.321 3.302 20 0 CGADHM CCCc1ccccc1NC(=O)c1cc(F)cc2nn[n-]c21 ZINC000433224291 393700652 /nfs/dbraw/zinc/70/06/52/393700652.db2.gz YLLUAWGLMFIPGH-UHFFFAOYSA-N -1 3 298.321 3.302 20 0 CGADHM CCCc1ccccc1NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000433224291 393700656 /nfs/dbraw/zinc/70/06/56/393700656.db2.gz YLLUAWGLMFIPGH-UHFFFAOYSA-N -1 3 298.321 3.302 20 0 CGADHM O=C([N-]c1ccncc1F)c1ncsc1-c1ccccc1 ZINC000438727264 393729574 /nfs/dbraw/zinc/72/95/74/393729574.db2.gz WOHBCUUQBBCIQH-UHFFFAOYSA-N -1 3 299.330 3.018 20 0 CGADHM Cc1cc(C(=O)NCC(C)(C)c2ccccc2)ccc1[O-] ZINC000498536962 393783054 /nfs/dbraw/zinc/78/30/54/393783054.db2.gz OFZHZWNPZHESSW-UHFFFAOYSA-N -1 3 283.371 3.408 20 0 CGADHM CC(C)(C)c1ccc(CNC2(c3nn[n-]n3)CCCC2)cc1 ZINC000499239644 393794854 /nfs/dbraw/zinc/79/48/54/393794854.db2.gz MRGXWZYDWARGCC-UHFFFAOYSA-N -1 3 299.422 3.056 20 0 CGADHM CC(C)(C)c1ccc(CNC2(c3nnn[n-]3)CCCC2)cc1 ZINC000499239644 393794858 /nfs/dbraw/zinc/79/48/58/393794858.db2.gz MRGXWZYDWARGCC-UHFFFAOYSA-N -1 3 299.422 3.056 20 0 CGADHM COC(C)(C)CC(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000501949187 393864434 /nfs/dbraw/zinc/86/44/34/393864434.db2.gz QTMFBQNEORXNPL-UHFFFAOYSA-N -1 3 279.380 3.443 20 0 CGADHM [O-]c1cccc(CN2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)c1Cl ZINC000449552830 393898445 /nfs/dbraw/zinc/89/84/45/393898445.db2.gz KEMSLKRBNWIGHZ-DYEKYZERSA-N -1 3 295.810 3.029 20 0 CGADHM CCc1ccc(NCc2nc(C)ccc2[O-])cc1OC ZINC000449652864 393934637 /nfs/dbraw/zinc/93/46/37/393934637.db2.gz QWFJJOJUBISFPX-UHFFFAOYSA-N -1 3 272.348 3.279 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)N1CCC2(C1)CCCCC2 ZINC000449956911 393951107 /nfs/dbraw/zinc/95/11/07/393951107.db2.gz YMKBRKYSPHUDGU-UHFFFAOYSA-N -1 3 291.366 3.257 20 0 CGADHM CC(C)CC1(CNC(=O)Cc2ccc([O-])c(F)c2)CC1 ZINC000450094375 393976671 /nfs/dbraw/zinc/97/66/71/393976671.db2.gz VGKYOCPMZAENKG-UHFFFAOYSA-N -1 3 279.355 3.016 20 0 CGADHM CC[C@@H]1CCC[C@H]1CNC(=O)c1c[n-]c2ccccc2c1=O ZINC000452521460 394077419 /nfs/dbraw/zinc/07/74/19/394077419.db2.gz RTJFWCJZXOHTPG-OLZOCXBDSA-N -1 3 298.386 3.084 20 0 CGADHM CC[C@H]1CCC[C@@H]1CNC(=O)Cc1ccc([O-])c(F)c1 ZINC000452527065 394078894 /nfs/dbraw/zinc/07/88/94/394078894.db2.gz LFPVARAIPHWKEX-QWHCGFSZSA-N -1 3 279.355 3.016 20 0 CGADHM O=C(NC[C@@H]1C[C@H]1C1CC1)c1cc([O-])ccc1C(F)(F)F ZINC000456866737 394290285 /nfs/dbraw/zinc/29/02/85/394290285.db2.gz IHTLIDXSLVZOCX-ONGXEEELSA-N -1 3 299.292 3.187 20 0 CGADHM O=C(Cc1ccc([O-])cc1Cl)N[C@H](C1CC1)C1CCC1 ZINC000457260464 394338093 /nfs/dbraw/zinc/33/80/93/394338093.db2.gz VUCJIEIBQWYPIF-INIZCTEOSA-N -1 3 293.794 3.283 20 0 CGADHM COc1cc(C(=O)N[C@]2(C)CCCC[C@H]2C)ccc1[O-] ZINC000457274406 394339906 /nfs/dbraw/zinc/33/99/06/394339906.db2.gz VTJWAFKDIBKGDC-BDJLRTHQSA-N -1 3 277.364 3.099 20 0 CGADHM CN1CCCc2cc(NC([O-])=NOC3CCCC3)ccc21 ZINC000271783674 135099378 /nfs/dbraw/zinc/09/93/78/135099378.db2.gz IKIRMTVAKHWVRU-UHFFFAOYSA-N -1 3 289.379 3.065 20 0 CGADHM CN1CCCc2cc(NC(=O)[N-]OC3CCCC3)ccc21 ZINC000271783674 135099381 /nfs/dbraw/zinc/09/93/81/135099381.db2.gz IKIRMTVAKHWVRU-UHFFFAOYSA-N -1 3 289.379 3.065 20 0 CGADHM CCCCN(CCOC)C(=O)c1cc(SC)ccc1[O-] ZINC000668518446 543022265 /nfs/dbraw/zinc/02/22/65/543022265.db2.gz MJFXGZUWDRRMSY-UHFFFAOYSA-N -1 3 297.420 3.003 20 0 CGADHM CSc1ccc([O-])c(C(=O)N2CCCC(C)(C)C2)c1 ZINC000668658001 543040766 /nfs/dbraw/zinc/04/07/66/543040766.db2.gz CICGILPNVRZNQH-UHFFFAOYSA-N -1 3 279.405 3.376 20 0 CGADHM Cc1ccc(C(=O)N2CC[C@@H](C)C(C)(C)C2)c([O-])c1 ZINC000436963457 292061861 /nfs/dbraw/zinc/06/18/61/292061861.db2.gz ZLLGHMNYQNRPRI-GFCCVEGCSA-N -1 3 261.365 3.209 20 0 CGADHM CSc1ccc([O-])c(C(=O)N2CCC[C@H](C)[C@@H]2C)c1 ZINC000669137807 543089247 /nfs/dbraw/zinc/08/92/47/543089247.db2.gz CTNUNAKSAUCTTK-QWRGUYRKSA-N -1 3 279.405 3.375 20 0 CGADHM Cc1nc(C(=O)[N-]c2cc(-c3ccccc3F)on2)co1 ZINC000670246425 543144887 /nfs/dbraw/zinc/14/48/87/543144887.db2.gz DAJKSNNPIVDHQR-UHFFFAOYSA-N -1 3 287.250 3.029 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CCC3(CCC3)CC2)c1 ZINC000672255976 543206679 /nfs/dbraw/zinc/20/66/79/543206679.db2.gz LPTJEEJVPNPQRD-UHFFFAOYSA-N -1 3 273.376 3.361 20 0 CGADHM Cc1ccc(CN[C@H]2C[C@H](C(=O)[O-])c3ccccc32)cc1 ZINC000417624181 292106776 /nfs/dbraw/zinc/10/67/76/292106776.db2.gz QFTZEMCWISGEJN-IRXDYDNUSA-N -1 3 281.355 3.398 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)C2(C)CCOCC2)c1[O-] ZINC000673912337 543259225 /nfs/dbraw/zinc/25/92/25/543259225.db2.gz ZGHXFRNCOZHRMM-UHFFFAOYSA-N -1 3 283.755 3.109 20 0 CGADHM Cc1c(C(=O)Nc2ccc(C)cc2[O-])cnn1C(C)(C)C ZINC000047297010 397631457 /nfs/dbraw/zinc/63/14/57/397631457.db2.gz XCBWVMJQAOCIQN-UHFFFAOYSA-N -1 3 287.363 3.213 20 0 CGADHM Cc1ccc(C(=O)N(C2CC2)C2CCCC2)c([O-])c1 ZINC000535795247 288463424 /nfs/dbraw/zinc/46/34/24/288463424.db2.gz LIYVXIWUZDTAPG-UHFFFAOYSA-N -1 3 259.349 3.248 20 0 CGADHM Cc1cccc(C(=O)N2CCCc3ccccc32)c1[O-] ZINC000019839194 292416481 /nfs/dbraw/zinc/41/64/81/292416481.db2.gz YUSYWQUEWWWJHT-UHFFFAOYSA-N -1 3 267.328 3.294 20 0 CGADHM Cc1cccc(C(=O)Nc2nc(C3CC3)cs2)c1[O-] ZINC000042356480 286893847 /nfs/dbraw/zinc/89/38/47/286893847.db2.gz WNXKNCNYLPOSAH-UHFFFAOYSA-N -1 3 274.345 3.287 20 0 CGADHM Cc1ccc(C(=O)N(C)[C@H]2CCC[C@H](C)C2)c([O-])c1 ZINC000042355405 286893918 /nfs/dbraw/zinc/89/39/18/286893918.db2.gz RURMIYCLDPZWON-AAEUAGOBSA-N -1 3 261.365 3.351 20 0 CGADHM COc1ccc([O-])c(C(=O)Nc2ccc(Cl)cc2F)c1 ZINC000051770612 286934722 /nfs/dbraw/zinc/93/47/22/286934722.db2.gz WLMMFOFLQPGEEX-UHFFFAOYSA-N -1 3 295.697 3.446 20 0 CGADHM C[C@H](NC(=O)c1c([O-])cccc1O)c1ccc(Cl)s1 ZINC000089461260 287090518 /nfs/dbraw/zinc/09/05/18/287090518.db2.gz ANZZNBKNSUIPEC-ZETCQYMHSA-N -1 3 297.763 3.304 20 0 CGADHM CC(C)(CCNCc1ccccc1F)CCC(=O)[O-] ZINC000087676457 165191223 /nfs/dbraw/zinc/19/12/23/165191223.db2.gz HJXOVTJHYOFYLS-UHFFFAOYSA-N -1 3 267.344 3.196 20 0 CGADHM Cc1cccc([C@@H]2CCCN2C(=O)c2ccccc2[O-])n1 ZINC000092759285 165309910 /nfs/dbraw/zinc/30/99/10/165309910.db2.gz OYAJVODBCNJOTE-HNNXBMFYSA-N -1 3 282.343 3.073 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2cccc(-c3ncc[nH]3)c2)c1 ZINC000094106211 287121543 /nfs/dbraw/zinc/12/15/43/287121543.db2.gz ZIGYWVPRHLGIQK-UHFFFAOYSA-N -1 3 293.326 3.343 20 0 CGADHM Cc1ccc(-c2nc(COc3ccccc3)no2)c([O-])c1 ZINC000109037570 287127718 /nfs/dbraw/zinc/12/77/18/287127718.db2.gz MOGAPAUFPPZGEF-UHFFFAOYSA-N -1 3 282.299 3.330 20 0 CGADHM O=C(CCc1cc(F)ccc1F)Nc1ccc([O-])cc1F ZINC000183270663 165707802 /nfs/dbraw/zinc/70/78/02/165707802.db2.gz NOWTVHOKPQJUOC-UHFFFAOYSA-N -1 3 295.260 3.381 20 0 CGADHM Cc1ccc([O-])c(-c2nc(Cc3ccc(F)cc3)no2)c1 ZINC000111687542 287135949 /nfs/dbraw/zinc/13/59/49/287135949.db2.gz CBEIEXCUJWMUMD-UHFFFAOYSA-N -1 3 284.290 3.481 20 0 CGADHM COc1ccc([O-])c(-c2nc(Cc3cccs3)no2)c1 ZINC000111688187 287136307 /nfs/dbraw/zinc/13/63/07/287136307.db2.gz QLKTXJAEOOUQRP-UHFFFAOYSA-N -1 3 288.328 3.103 20 0 CGADHM CCCn1c(=O)[n-]nc1SC[C@H](C)c1ccccc1 ZINC000116610513 287158275 /nfs/dbraw/zinc/15/82/75/287158275.db2.gz OBJBOCFTTQLAKZ-NSHDSACASA-N -1 3 277.393 3.290 20 0 CGADHM [O-]c1ccc(Br)c(CNc2ccccn2)c1 ZINC000124657842 287235717 /nfs/dbraw/zinc/23/57/17/287235717.db2.gz ULYKZEGLQTXWLS-UHFFFAOYSA-N -1 3 279.137 3.162 20 0 CGADHM Cc1oc(CN2CCCCCCC2)cc1C(=O)[O-] ZINC000035432221 172200653 /nfs/dbraw/zinc/20/06/53/172200653.db2.gz QLDORRCQGSXSAJ-UHFFFAOYSA-N -1 3 251.326 3.052 20 0 CGADHM O=C(Cc1cccc2ccccc21)[N-]OCCCCF ZINC000285249008 196232218 /nfs/dbraw/zinc/23/22/18/196232218.db2.gz RNUQVWFAONSGQS-UHFFFAOYSA-N -1 3 275.323 3.180 20 0 CGADHM Cc1cccnc1NCc1cc([O-])ccc1Br ZINC000126632831 287269165 /nfs/dbraw/zinc/26/91/65/287269165.db2.gz BOISXAVCLQWPOV-UHFFFAOYSA-N -1 3 293.164 3.470 20 0 CGADHM O=C([O-])[C@H](c1c(F)cccc1Cl)N1CCCCCC1 ZINC000038086519 174097417 /nfs/dbraw/zinc/09/74/17/174097417.db2.gz OLTUBNWOKGPVHA-ZDUSSCGKSA-N -1 3 285.746 3.481 20 0 CGADHM O=C([O-])CC[C@H]1CCCN(Cc2cccc(Cl)c2)C1 ZINC000043585432 175070741 /nfs/dbraw/zinc/07/07/41/175070741.db2.gz YGQPSVUFRBZMSZ-GFCCVEGCSA-N -1 3 281.783 3.417 20 0 CGADHM CCCCN(CC)Cc1nc(=O)c2sccc2[n-]1 ZINC000070946400 176016557 /nfs/dbraw/zinc/01/65/57/176016557.db2.gz JIDUHTTXVVJVLS-UHFFFAOYSA-N -1 3 265.382 3.019 20 0 CGADHM O=C(Nc1cccc([O-])c1F)c1cncc2ccccc21 ZINC000129314148 287328390 /nfs/dbraw/zinc/32/83/90/287328390.db2.gz DAXKNHJJTIJDKI-UHFFFAOYSA-N -1 3 282.274 3.332 20 0 CGADHM [O-]c1coc2cc(OCCCOc3ccccc3)ccc12 ZINC000057524098 416482654 /nfs/dbraw/zinc/48/26/54/416482654.db2.gz FKPJCJXZTRENDM-UHFFFAOYSA-N -1 3 284.311 3.110 20 0 CGADHM Cc1cccc2nc(-c3ccc(F)cc3)[n-]c(=O)c12 ZINC000048606465 416454596 /nfs/dbraw/zinc/45/45/96/416454596.db2.gz ARCSEOSNKKUNLR-UHFFFAOYSA-N -1 3 254.264 3.038 20 0 CGADHM Cc1cc(N2CC[C@H](C(=O)[O-])[C@@H](C)C2)c2ccccc2n1 ZINC000314848135 416537541 /nfs/dbraw/zinc/53/75/41/416537541.db2.gz MGQNMEQPUKYYAY-AAEUAGOBSA-N -1 3 284.359 3.090 20 0 CGADHM CC(C)c1noc([N-]Cc2nc3c(s2)CCCC3)n1 ZINC000679122405 543593020 /nfs/dbraw/zinc/59/30/20/543593020.db2.gz SHFUBEYDPGMDJF-UHFFFAOYSA-N -1 3 278.381 3.140 20 0 CGADHM Cn1cccc1C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000129972074 287342120 /nfs/dbraw/zinc/34/21/20/287342120.db2.gz PHSMWMHKSXVTHD-UHFFFAOYSA-N -1 3 284.237 3.002 20 0 CGADHM Cc1ccc([O-])c(CN2CCCc3c(C)cccc32)n1 ZINC000679582874 543649894 /nfs/dbraw/zinc/64/98/94/543649894.db2.gz RJRSTRPWCKMYLU-UHFFFAOYSA-N -1 3 268.360 3.357 20 0 CGADHM C[C@H]1CCN(C(=O)CCCc2ccc([O-])c(F)c2)C[C@H]1F ZINC000682527473 543850982 /nfs/dbraw/zinc/85/09/82/543850982.db2.gz BYKPIJBAILBPNM-SMDDNHRTSA-N -1 3 297.345 3.061 20 0 CGADHM CCCn1c(=O)[n-]nc1SCCc1ccc(F)c(F)c1 ZINC000132056895 287395920 /nfs/dbraw/zinc/39/59/20/287395920.db2.gz PQKLVFILGIZBLG-UHFFFAOYSA-N -1 3 299.346 3.007 20 0 CGADHM O=C(CCC(F)F)Nc1ccc(Br)cc1[O-] ZINC000684388512 543991215 /nfs/dbraw/zinc/99/12/15/543991215.db2.gz DEBLOOPAIGKPFZ-UHFFFAOYSA-N -1 3 294.095 3.139 20 0 CGADHM C[C@@H]1C[C@@H](C)N1Cc1cc([O-])ccc1Br ZINC000684412720 543995915 /nfs/dbraw/zinc/99/59/15/543995915.db2.gz ZSJIIPIGVSSIPV-RKDXNWHRSA-N -1 3 270.170 3.137 20 0 CGADHM C[C@H](NC(=O)c1cc([O-])ccc1C(F)(F)F)C1CCC1 ZINC000684468125 544005023 /nfs/dbraw/zinc/00/50/23/544005023.db2.gz OVEHFILVFZMVCG-QMMMGPOBSA-N -1 3 287.281 3.329 20 0 CGADHM O=C(COc1ccc2c(c1)CCCC2)Nc1ccccc1[O-] ZINC000134224459 287438098 /nfs/dbraw/zinc/43/80/98/287438098.db2.gz UBCQAPSDKLUZKP-UHFFFAOYSA-N -1 3 297.354 3.289 20 0 CGADHM CC(C)(C)c1csc(CN(CCC(=O)[O-])CC2CC2)n1 ZINC000652467375 418971609 /nfs/dbraw/zinc/97/16/09/418971609.db2.gz VNOQKLKTADUWJS-UHFFFAOYSA-N -1 3 296.436 3.127 20 0 CGADHM CCN(Cc1ccc(C(=O)[O-])c(Cl)c1)[C@@H]1CCCOC1 ZINC000652507241 418976168 /nfs/dbraw/zinc/97/61/68/418976168.db2.gz ZQUZSCUDFJDLHW-GFCCVEGCSA-N -1 3 297.782 3.039 20 0 CGADHM O=C([O-])c1ccc(CN2CCC[C@@H](Cc3ccccc3)C2)o1 ZINC000652410395 418962832 /nfs/dbraw/zinc/96/28/32/418962832.db2.gz AFBIQNPHKVQWPF-HNNXBMFYSA-N -1 3 299.370 3.433 20 0 CGADHM c1cc(-c2noc([C@H]3CCCC4(CC4)C3)n2)cc2n[n-]nc12 ZINC000664877589 419018548 /nfs/dbraw/zinc/01/85/48/419018548.db2.gz NJVQXGUXELTJKU-NSHDSACASA-N -1 3 295.346 3.446 20 0 CGADHM CC(C)Oc1ccccc1CN1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000652496865 418977339 /nfs/dbraw/zinc/97/73/39/418977339.db2.gz FTCWRPZMBJSZFH-UKRRQHHQSA-N -1 3 291.391 3.016 20 0 CGADHM O=C([O-])[C@]12CN(Cc3ccc(F)cc3F)C[C@H]1CCCC2 ZINC000659798598 418993440 /nfs/dbraw/zinc/99/34/40/418993440.db2.gz KBCOSTBOGVASJP-MLGOLLRUSA-N -1 3 295.329 3.042 20 0 CGADHM O=C(NC1(C2CCC2)CC1)c1cc([O-])ccc1Cl ZINC000652868109 418996600 /nfs/dbraw/zinc/99/66/00/418996600.db2.gz PDNSLEHBITYGFW-UHFFFAOYSA-N -1 3 265.740 3.108 20 0 CGADHM CC[C@H]([N-]c1nc(C2CCC2)no1)[C@@H]1CCCCO1 ZINC000656228084 419155683 /nfs/dbraw/zinc/15/56/83/419155683.db2.gz VETHRXMTRIRSQC-RYUDHWBXSA-N -1 3 265.357 3.097 20 0 CGADHM O=C([O-])c1sccc1CN1CCC[C@H](CCF)C1 ZINC000656762817 419212731 /nfs/dbraw/zinc/21/27/31/419212731.db2.gz HNBIGBGIBWFEPE-SNVBAGLBSA-N -1 3 271.357 3.018 20 0 CGADHM O=C([O-])[C@@H]1CCN(CC2=CCCC2)[C@H]2CCCC[C@H]12 ZINC000656769070 419214019 /nfs/dbraw/zinc/21/40/19/419214019.db2.gz YBDUTWQYLZEFOU-KFWWJZLASA-N -1 3 263.381 3.062 20 0 CGADHM C[C@@H](CNCc1cccc([O-])c1Cl)c1ccccn1 ZINC000657536065 419300497 /nfs/dbraw/zinc/30/04/97/419300497.db2.gz SODWOWRONRNYRS-NSHDSACASA-N -1 3 276.767 3.334 20 0 CGADHM C[C@@]1(F)CCN(Cc2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000356108847 228123975 /nfs/dbraw/zinc/12/39/75/228123975.db2.gz JTCXSIXFINCODX-GFCCVEGCSA-N -1 3 277.261 3.345 20 0 CGADHM O=C(Nc1ccccc1N1CCCC1)c1cccc([O-])c1 ZINC000193281776 287606840 /nfs/dbraw/zinc/60/68/40/287606840.db2.gz RXGPBOOXIRWCKD-UHFFFAOYSA-N -1 3 282.343 3.245 20 0 CGADHM COc1cccc(Cc2nc(-c3ccc([O-])cc3)no2)c1 ZINC000020432768 262249960 /nfs/dbraw/zinc/24/99/60/262249960.db2.gz OOKMITFYGFUAEE-UHFFFAOYSA-N -1 3 282.299 3.042 20 0 CGADHM Cc1ccc(CNC(=O)c2ccc(C)cc2[O-])s1 ZINC000045935187 270038837 /nfs/dbraw/zinc/03/88/37/270038837.db2.gz WJHUTONVWBHGRJ-UHFFFAOYSA-N -1 3 261.346 3.001 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])c1c(F)ccc(F)c1F ZINC000185622094 270063724 /nfs/dbraw/zinc/06/37/24/270063724.db2.gz SPYVZDGIOSOFHM-UHFFFAOYSA-N -1 3 285.196 3.201 20 0 CGADHM CC(C)c1ccc(CNC(=O)c2c([O-])cccc2O)cc1 ZINC000220220943 270085663 /nfs/dbraw/zinc/08/56/63/270085663.db2.gz VSJWSXMEMMZSQT-UHFFFAOYSA-N -1 3 285.343 3.151 20 0 CGADHM CS[C@@H]1CCC[C@H](NC(=O)c2cccc(C)c2[O-])C1 ZINC000227354619 270087002 /nfs/dbraw/zinc/08/70/02/270087002.db2.gz HBVMINKPXAEVAP-NWDGAFQWSA-N -1 3 279.405 3.105 20 0 CGADHM CCc1ccc([O-])c(C(=O)N[C@H](C)CCc2ccco2)c1 ZINC000522151187 270104979 /nfs/dbraw/zinc/10/49/79/270104979.db2.gz LAQBTBXQLBEYQD-GFCCVEGCSA-N -1 3 287.359 3.299 20 0 CGADHM CCc1ccc([O-])c(-c2nc([C@H]3CC[C@H](C)O3)no2)c1 ZINC000528234240 270159044 /nfs/dbraw/zinc/15/90/44/270159044.db2.gz IBDLOUBDDXXEME-TVQRCGJNSA-N -1 3 274.320 3.245 20 0 CGADHM CC1(C)C[C@@H](C(=O)Nc2cccc([O-])c2F)C(C)(C)O1 ZINC000528915385 270175791 /nfs/dbraw/zinc/17/57/91/270175791.db2.gz CFSPALFXHVQYOG-VIFPVBQESA-N -1 3 281.327 3.064 20 0 CGADHM COc1ccc(NC([O-])=NOC2CCC2)c2ccccc12 ZINC000529258653 270178911 /nfs/dbraw/zinc/17/89/11/270178911.db2.gz TXCYPAMSYGMFTM-UHFFFAOYSA-N -1 3 286.331 3.454 20 0 CGADHM COc1ccc(NC(=O)[N-]OC2CCC2)c2ccccc12 ZINC000529258653 270178912 /nfs/dbraw/zinc/17/89/12/270178912.db2.gz TXCYPAMSYGMFTM-UHFFFAOYSA-N -1 3 286.331 3.454 20 0 CGADHM Cc1scnc1NC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000529547052 270183770 /nfs/dbraw/zinc/18/37/70/270183770.db2.gz XNFHVPRLFOBIOP-UHFFFAOYSA-N -1 3 288.372 3.288 20 0 CGADHM C[C@@H](CN(C)C(=O)c1ccc(O)cc1[O-])C1CCCCC1 ZINC000530038190 270193583 /nfs/dbraw/zinc/19/35/83/270193583.db2.gz KRXDPTFOAYFHNZ-LBPRGKRZSA-N -1 3 291.391 3.386 20 0 CGADHM O=C(Cc1ccc([O-])cc1Cl)NCC(C1CC1)C1CC1 ZINC000532283285 270214917 /nfs/dbraw/zinc/21/49/17/270214917.db2.gz FDIHVAPSUODJEF-UHFFFAOYSA-N -1 3 293.794 3.141 20 0 CGADHM CCc1cc(=O)[n-]c(CN(CC)Cc2ccc(C)cc2)n1 ZINC000533250433 270222408 /nfs/dbraw/zinc/22/24/08/270222408.db2.gz IVXYEIDBKRGVFI-UHFFFAOYSA-N -1 3 285.391 3.075 20 0 CGADHM C[C@@H]1CC[C@@H](C)N1C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000183150231 287679012 /nfs/dbraw/zinc/67/90/12/287679012.db2.gz SUUAUUOBEDUOPV-VXGBXAGGSA-N -1 3 273.376 3.284 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N[C@@H](C)[C@@H](C)c2ccccc2)n1 ZINC000192768593 274720974 /nfs/dbraw/zinc/72/09/74/274720974.db2.gz UEFNHNCPEURUBY-RDBSUJKOSA-N -1 3 285.391 3.333 20 0 CGADHM Cc1cccc([O-])c1NC(=O)/C=C\c1ccc(F)cc1 ZINC000255337512 287863842 /nfs/dbraw/zinc/86/38/42/287863842.db2.gz ZJMDVXBZSSAWGG-YFHOEESVSA-N -1 3 271.291 3.492 20 0 CGADHM CC(C)n1ccc(C(=O)N2CC[C@@H](C)c3cccc([O-])c32)n1 ZINC000274405732 276084718 /nfs/dbraw/zinc/08/47/18/276084718.db2.gz UEHWXWKVFVUTLQ-GFCCVEGCSA-N -1 3 299.374 3.324 20 0 CGADHM CSCC(C)(C)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000282640993 287904218 /nfs/dbraw/zinc/90/42/18/287904218.db2.gz ZJDHLBHTNQCLJU-UHFFFAOYSA-N -1 3 273.785 3.373 20 0 CGADHM COc1cc(C(=O)N2CCCc3cccc([O-])c32)ccc1C ZINC000170873019 277368132 /nfs/dbraw/zinc/36/81/32/277368132.db2.gz ULBQIECKDCVAOJ-UHFFFAOYSA-N -1 3 297.354 3.302 20 0 CGADHM Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc(O)cc1[O-])CCC2 ZINC000436847243 278884508 /nfs/dbraw/zinc/88/45/08/278884508.db2.gz PDXMZGUWIARWQW-INIZCTEOSA-N -1 3 297.354 3.214 20 0 CGADHM Cc1ccc([O-])c(CN2CC(C3CCCCC3)C2)n1 ZINC000459592579 288098649 /nfs/dbraw/zinc/09/86/49/288098649.db2.gz MWDRDQTXDTUTKZ-UHFFFAOYSA-N -1 3 260.381 3.108 20 0 CGADHM CCc1cccc(C(=O)N[C@@H](CC)C(F)(F)F)c1[O-] ZINC000526066408 288148824 /nfs/dbraw/zinc/14/88/24/288148824.db2.gz OMYLYPBOQWRERJ-JTQLQIEISA-N -1 3 275.270 3.025 20 0 CGADHM C[C@H](C1CC1)N(C)C(=O)c1cc([O-])cc(Br)c1 ZINC000527788916 288194411 /nfs/dbraw/zinc/19/44/11/288194411.db2.gz WZWZFNHDSSNTBM-MRVPVSSYSA-N -1 3 298.180 3.025 20 0 CGADHM O=C(c1cccc(F)c1)N1CCCc2cccc([O-])c21 ZINC000063063759 280208200 /nfs/dbraw/zinc/20/82/00/280208200.db2.gz ODIDRNHSPAMSLL-UHFFFAOYSA-N -1 3 271.291 3.124 20 0 CGADHM CCC[C@@H](OCC)C(=O)Nc1c([O-])cccc1Cl ZINC000529425617 288246383 /nfs/dbraw/zinc/24/63/83/288246383.db2.gz KMJYNRDVGNZFDP-LLVKDONJSA-N -1 3 271.744 3.189 20 0 CGADHM CN(C(=O)c1cc([O-])cc(Br)c1)C(C)(C)C ZINC000529510318 288254756 /nfs/dbraw/zinc/25/47/56/288254756.db2.gz UMQOQDYSEUMKSM-UHFFFAOYSA-N -1 3 286.169 3.025 20 0 CGADHM CC[C@H]1CC[C@H](C)N1C(=O)c1c[n-]c2c(C)cccc2c1=O ZINC000408349567 281114422 /nfs/dbraw/zinc/11/44/22/281114422.db2.gz RAFVEJRKCKZJJS-STQMWFEESA-N -1 3 298.386 3.240 20 0 CGADHM O=C(CC1CCC(=O)CC1)Nc1cc(Cl)ccc1[O-] ZINC000530401156 288304458 /nfs/dbraw/zinc/30/44/58/288304458.db2.gz RVKMCAKPTIMWBJ-UHFFFAOYSA-N -1 3 281.739 3.134 20 0 CGADHM CC[C@H]1C[C@@H](C)CN1Cc1c(F)ccc([O-])c1F ZINC000508636521 281227002 /nfs/dbraw/zinc/22/70/02/281227002.db2.gz LHTJQCQYSUUZOU-ZJUUUORDSA-N -1 3 255.308 3.291 20 0 CGADHM CCc1[n-][nH]c(=NC(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)c1C ZINC000328772295 281360587 /nfs/dbraw/zinc/36/05/87/281360587.db2.gz BBKARXXGONOLSZ-MELADBBJSA-N -1 3 289.423 3.247 20 0 CGADHM O=C(Nc1ccc(Br)cc1[O-])[C@@H]1C[C@@H]1C1CC1 ZINC000530954231 288320292 /nfs/dbraw/zinc/32/02/92/288320292.db2.gz NIHCPYSRRPOUIL-NXEZZACHSA-N -1 3 296.164 3.139 20 0 CGADHM CC1(C)Cc2ccc(C(=O)N3CCCC3(C)C)c([O-])c2O1 ZINC000436562872 281371866 /nfs/dbraw/zinc/37/18/66/281371866.db2.gz BWNGGFPJXIHXOR-UHFFFAOYSA-N -1 3 289.375 3.120 20 0 CGADHM Cc1ccoc1C(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000186266447 281497787 /nfs/dbraw/zinc/49/77/87/281497787.db2.gz NASMLMJBGOILFI-SNVBAGLBSA-N -1 3 271.316 3.448 20 0 CGADHM CCc1ccc([O-])c(C(=O)N(CC(F)F)CC2CCC2)c1 ZINC000536711739 288499580 /nfs/dbraw/zinc/49/95/80/288499580.db2.gz MCARZTPMFMYEDW-UHFFFAOYSA-N -1 3 297.345 3.462 20 0 CGADHM O=C(Nc1csc(-c2ccccn2)n1)c1cccc([O-])c1 ZINC000541748154 288718900 /nfs/dbraw/zinc/71/89/00/288718900.db2.gz UNNGJJBOFAXTNE-UHFFFAOYSA-N -1 3 297.339 3.163 20 0 CGADHM Cc1cc(C(=O)Nc2cnc3c(c2)CCCC3)ccc1[O-] ZINC000542070653 288733202 /nfs/dbraw/zinc/73/32/02/288733202.db2.gz YGTWYXHOXJJWNM-UHFFFAOYSA-N -1 3 282.343 3.227 20 0 CGADHM C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)c1cccc([O-])c1 ZINC000336234004 288955509 /nfs/dbraw/zinc/95/55/09/288955509.db2.gz APKHIPDOJDVHQX-SKDRFNHKSA-N -1 3 287.281 3.195 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2cccc(OC(C)C)c2)n1 ZINC000549615078 289048538 /nfs/dbraw/zinc/04/85/38/289048538.db2.gz POIQOHYDNKEUAD-BQYQJAHWSA-N -1 3 270.332 3.448 20 0 CGADHM CC(C)c1ccoc1C(=O)[N-]c1nnc(C2CC2)s1 ZINC000550179575 289069434 /nfs/dbraw/zinc/06/94/34/289069434.db2.gz YRSUNXGZYPOVJJ-UHFFFAOYSA-N -1 3 277.349 3.384 20 0 CGADHM CC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccccc2)c1[O-] ZINC000552285986 289178956 /nfs/dbraw/zinc/17/89/56/289178956.db2.gz HVNQAVYFUJYWIF-LBPRGKRZSA-N -1 3 299.326 3.001 20 0 CGADHM CC(C)c1ccc(NC(=O)Cc2cncc([O-])c2)cc1 ZINC000553185096 289212165 /nfs/dbraw/zinc/21/21/65/289212165.db2.gz MPAWHBYXRZTVHW-UHFFFAOYSA-N -1 3 270.332 3.092 20 0 CGADHM Cc1cc(CN[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)cs1 ZINC000417634233 301278537 /nfs/dbraw/zinc/27/85/37/301278537.db2.gz VFLALHTVZPEPOW-CABCVRRESA-N -1 3 287.384 3.459 20 0 CGADHM Cc1ccc(C(=O)N2CC[C@@H](C(C)C)C2)c([O-])c1C ZINC000436581644 301514028 /nfs/dbraw/zinc/51/40/28/301514028.db2.gz BEGMZQXXKXIXJK-CYBMUJFWSA-N -1 3 261.365 3.127 20 0 CGADHM Cc1noc([N-]C(=O)c2ncsc2C(F)(F)F)c1C ZINC000282780103 302849303 /nfs/dbraw/zinc/84/93/03/302849303.db2.gz DZUFIKDDWRDWJM-UHFFFAOYSA-N -1 3 291.254 3.019 20 0 CGADHM CC(C)(C)c1nnsc1C(=O)[N-]c1ccc(F)cc1F ZINC000188405736 327752347 /nfs/dbraw/zinc/75/23/47/327752347.db2.gz HRTVJXCGZPABIM-UHFFFAOYSA-N -1 3 297.330 3.366 20 0 CGADHM COc1cccc(CS[C@H](C)c2nc(C)cc(=O)[n-]2)c1 ZINC000156361114 321779392 /nfs/dbraw/zinc/77/93/92/321779392.db2.gz BXIIQIDTZGYIPQ-LLVKDONJSA-N -1 3 290.388 3.494 20 0 CGADHM C[C@@H](CC(=O)Nc1ccncc1[O-])c1ccc(F)cc1F ZINC000162208178 321879934 /nfs/dbraw/zinc/87/99/34/321879934.db2.gz LGWSQRZUPZCOOU-VIFPVBQESA-N -1 3 292.285 3.198 20 0 CGADHM CCc1cccc(C(=O)N2CC[C@@H](CC3CC3)C2)c1[O-] ZINC000563991797 322017406 /nfs/dbraw/zinc/01/74/06/322017406.db2.gz CHXNCJXCHOGUIT-ZDUSSCGKSA-N -1 3 273.376 3.217 20 0 CGADHM CCCc1occc1-c1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000564392849 322029578 /nfs/dbraw/zinc/02/95/78/322029578.db2.gz DEZUHBZPIFYTOU-UHFFFAOYSA-N -1 3 295.302 3.220 20 0 CGADHM C[C@@H]1C[C@H]1CC(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000564501747 322032806 /nfs/dbraw/zinc/03/28/06/322032806.db2.gz AZORVAJGFADGQS-SFYZADRCSA-N -1 3 273.254 3.396 20 0 CGADHM C[C@H]1[C@@H](c2ccccc2)CCN1c1ccncc1C(=O)[O-] ZINC000565036541 322056208 /nfs/dbraw/zinc/05/62/08/322056208.db2.gz VHDXIMSVXZZWIA-JSGCOSHPSA-N -1 3 282.343 3.162 20 0 CGADHM C[C@@H](NCc1ccc(C(=O)[O-])o1)[C@H](C)c1ccccc1 ZINC000565365887 322074763 /nfs/dbraw/zinc/07/47/63/322074763.db2.gz JOOQYPMZVUDOAR-NWDGAFQWSA-N -1 3 273.332 3.260 20 0 CGADHM C[C@H](c1ccccc1)[C@H](C)NCc1ccc(C(=O)[O-])o1 ZINC000565365888 322074813 /nfs/dbraw/zinc/07/48/13/322074813.db2.gz JOOQYPMZVUDOAR-RYUDHWBXSA-N -1 3 273.332 3.260 20 0 CGADHM [O-]c1cccnc1CN1CCCC[C@@H]1c1ccco1 ZINC000565976390 322099163 /nfs/dbraw/zinc/09/91/63/322099163.db2.gz FFDLLXUZEUTOHF-CYBMUJFWSA-N -1 3 258.321 3.107 20 0 CGADHM CC(C)[C@H](c1ccccc1)N(C)C(=O)Cc1cncc([O-])c1 ZINC000566630667 322132130 /nfs/dbraw/zinc/13/21/30/322132130.db2.gz NCSBHTNIFIHMJW-GOSISDBHSA-N -1 3 298.386 3.185 20 0 CGADHM O=C(Nc1ccc(Cl)cc1[O-])[C@@H]1C[C@H]1C1CCC1 ZINC000566742349 322136779 /nfs/dbraw/zinc/13/67/79/322136779.db2.gz LVBXGGONAKRHRM-WDEREUQCSA-N -1 3 265.740 3.420 20 0 CGADHM CCc1cnc(S(=O)(=O)[C@H](C)c2ccc(Cl)cc2)[n-]1 ZINC000566807208 322139112 /nfs/dbraw/zinc/13/91/12/322139112.db2.gz HWGDUMCKGMDYLS-SECBINFHSA-N -1 3 298.795 3.160 20 0 CGADHM CCc1c[n-]c(S(=O)(=O)[C@H](C)c2ccc(Cl)cc2)n1 ZINC000566807208 322139113 /nfs/dbraw/zinc/13/91/13/322139113.db2.gz HWGDUMCKGMDYLS-SECBINFHSA-N -1 3 298.795 3.160 20 0 CGADHM CC1(C)CN(Cc2ncccc2[O-])CC[C@H]1C(F)(F)F ZINC000567200720 322154375 /nfs/dbraw/zinc/15/43/75/322154375.db2.gz UKMSWBWOIAMMMX-GFCCVEGCSA-N -1 3 288.313 3.198 20 0 CGADHM CC(C)N(Cc1cc(C(=O)[O-])ccc1Cl)C1CC1 ZINC000568060150 322190402 /nfs/dbraw/zinc/19/04/02/322190402.db2.gz SVBOIEDHAIAPEL-UHFFFAOYSA-N -1 3 267.756 3.411 20 0 CGADHM C[C@@H]1CCN(Cc2nc(C(=O)[O-])cs2)[C@@H]2CCCC[C@H]12 ZINC000568059968 322190647 /nfs/dbraw/zinc/19/06/47/322190647.db2.gz NGSSLPGHCVETHW-NQBHXWOUSA-N -1 3 294.420 3.242 20 0 CGADHM C[C@@H]1C[C@@H](C)N(CCOc2ccc(C(=O)[O-])cc2Cl)C1 ZINC000568281205 322203220 /nfs/dbraw/zinc/20/32/20/322203220.db2.gz CMQLTJUKRUANNT-GHMZBOCLSA-N -1 3 297.782 3.147 20 0 CGADHM CC(=O)Nc1ccc(SCc2ncccc2[O-])cc1 ZINC000568616230 322215698 /nfs/dbraw/zinc/21/56/98/322215698.db2.gz HHHNXOBAZHRMLG-UHFFFAOYSA-N -1 3 274.345 3.038 20 0 CGADHM Cc1cccnc1SCc1cc(=O)[n-]c(C2CC2)n1 ZINC000568726020 322220017 /nfs/dbraw/zinc/22/00/17/322220017.db2.gz OPJAGBXQQAFAFA-UHFFFAOYSA-N -1 3 273.361 3.055 20 0 CGADHM C[C@H]1C[C@H]1c1noc(CCCc2ccc([O-])c(F)c2)n1 ZINC000569289520 322242126 /nfs/dbraw/zinc/24/21/26/322242126.db2.gz AELKZLRCVUJHQW-GXSJLCMTSA-N -1 3 276.311 3.213 20 0 CGADHM COc1ccc(CN2CCC[C@H](CC(=O)[O-])C2)c(Cl)c1 ZINC000569673055 322253834 /nfs/dbraw/zinc/25/38/34/322253834.db2.gz UYXISXAIROZCOA-LLVKDONJSA-N -1 3 297.782 3.035 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CCc3cc(F)ccc32)c1 ZINC000569748008 322256352 /nfs/dbraw/zinc/25/63/52/322256352.db2.gz FMWAFXKUUNSUKH-UHFFFAOYSA-N -1 3 285.318 3.297 20 0 CGADHM CCCn1c(=O)[n-]nc1SCC(=O)C1CCCCCC1 ZINC000571162961 322291709 /nfs/dbraw/zinc/29/17/09/322291709.db2.gz DKXMYWSHDFTDPH-UHFFFAOYSA-N -1 3 297.424 3.025 20 0 CGADHM O=C([O-])[C@@H](CC1CCCCC1)NCc1ccc(F)cc1F ZINC000571267993 322294601 /nfs/dbraw/zinc/29/46/01/322294601.db2.gz FYKBHJACAXJWID-OAHLLOKOSA-N -1 3 297.345 3.478 20 0 CGADHM C[C@H](c1nc(-c2ccc3n[n-]nc3c2)no1)c1ccccc1 ZINC000571829034 322308831 /nfs/dbraw/zinc/30/88/31/322308831.db2.gz CDXPAIUYZXKFRD-JTQLQIEISA-N -1 3 291.314 3.160 20 0 CGADHM CC(C)N(Cc1ccccc1F)Cc1ncccc1[O-] ZINC000571923852 322312173 /nfs/dbraw/zinc/31/21/73/322312173.db2.gz KFNILOSCNCMQJD-UHFFFAOYSA-N 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ABOQADSBQOEKBI-QGZVFWFLSA-N -1 3 296.370 3.425 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])C1(C(F)F)CCCC1 ZINC000582880801 329284682 /nfs/dbraw/zinc/28/46/82/329284682.db2.gz TZHODORXNILTME-UHFFFAOYSA-N -1 3 273.254 3.295 20 0 CGADHM CCC[C@H](C(=O)[O-])N(C)Cc1ccccc1Cl ZINC000216613379 329295404 /nfs/dbraw/zinc/29/54/04/329295404.db2.gz CEBQEFIIHOIDSS-GFCCVEGCSA-N -1 3 255.745 3.025 20 0 CGADHM CSc1cc(O)ccc1[N-]C(=O)c1ocnc1C1CC1 ZINC000583052220 329303839 /nfs/dbraw/zinc/30/38/39/329303839.db2.gz YSEJCPDNXKRPMD-UHFFFAOYSA-N -1 3 290.344 3.232 20 0 CGADHM CSc1cc(O)ccc1[N-]C(=O)c1cnc(C)s1 ZINC000191175543 330129011 /nfs/dbraw/zinc/12/90/11/330129011.db2.gz WMRGGTSFSQXFKA-UHFFFAOYSA-N -1 3 280.374 3.131 20 0 CGADHM [O-]c1ccc(-c2noc(C[C@H]3C=CCCC3)n2)cc1 ZINC000576073054 335149611 /nfs/dbraw/zinc/14/96/11/335149611.db2.gz HCBUHLFBSOZVKC-NSHDSACASA-N -1 3 256.305 3.341 20 0 CGADHM Cc1cccc(C)c1OCC(=O)Nc1cc(F)ccc1[O-] ZINC000174872311 335167970 /nfs/dbraw/zinc/16/79/70/335167970.db2.gz AJHSIECALJKGDB-UHFFFAOYSA-N -1 3 289.306 3.166 20 0 CGADHM O=C(CCc1ccc(F)cc1)Nc1cc(F)ccc1[O-] ZINC000174879967 335168254 /nfs/dbraw/zinc/16/82/54/335168254.db2.gz WGRBTGXBJLXEBU-UHFFFAOYSA-N -1 3 277.270 3.242 20 0 CGADHM O=C(CC1CCCCC1)Nc1cc(F)ccc1[O-] ZINC000174904805 335169125 /nfs/dbraw/zinc/16/91/25/335169125.db2.gz IBGDXYHJIYUATK-UHFFFAOYSA-N -1 3 251.301 3.440 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])c1ccc2cc[nH]c2c1 ZINC000174902113 335169199 /nfs/dbraw/zinc/16/91/99/335169199.db2.gz FXEJOPDRROXMLD-UHFFFAOYSA-N -1 3 270.263 3.265 20 0 CGADHM Cc1ccc(C)c(OCC(=O)Nc2cc(F)ccc2[O-])c1 ZINC000174904594 335169242 /nfs/dbraw/zinc/16/92/42/335169242.db2.gz GUFXXOPLYMGDOB-UHFFFAOYSA-N -1 3 289.306 3.166 20 0 CGADHM O=C([O-])c1ccccc1CCN1CCc2ccsc2C1 ZINC000576285447 335183296 /nfs/dbraw/zinc/18/32/96/335183296.db2.gz IOAUACSHQJIRAN-UHFFFAOYSA-N -1 3 287.384 3.047 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)[C@@H]2C[C@H]2C2CC2)c1[O-] ZINC000176160316 335246718 /nfs/dbraw/zinc/24/67/18/335246718.db2.gz QMELQEXOMXEDJA-WDEREUQCSA-N -1 3 265.740 3.339 20 0 CGADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@H]1CCC[C@@H](F)C1 ZINC000576945823 335267759 /nfs/dbraw/zinc/26/77/59/335267759.db2.gz OEQJGWFBJDSACB-OLZOCXBDSA-N -1 3 297.345 3.251 20 0 CGADHM Cc1nc(C)c(C(=O)[N-]c2c(F)cc(Cl)cc2F)o1 ZINC000180363130 335576009 /nfs/dbraw/zinc/57/60/09/335576009.db2.gz XQYVSTPQWUNOFH-UHFFFAOYSA-N -1 3 286.665 3.475 20 0 CGADHM COc1ccc([O-])c(-c2nc(CC3CC(F)(F)C3)no2)c1 ZINC000351168989 335577851 /nfs/dbraw/zinc/57/78/51/335577851.db2.gz PDRRPHATWPLMKJ-UHFFFAOYSA-N -1 3 296.273 3.039 20 0 CGADHM CC(C)(C)c1ccc(NC(=O)[C@@H]2[C@H]3CCCO[C@H]32)c([O-])c1 ZINC000578454790 335637532 /nfs/dbraw/zinc/63/75/32/335637532.db2.gz OKCVBCTZSFIHDR-KCPJHIHWSA-N -1 3 289.375 3.053 20 0 CGADHM COc1cc(CN2CC[C@H](C)C[C@H]2C(=O)[O-])ccc1Cl ZINC000581554158 336101968 /nfs/dbraw/zinc/10/19/68/336101968.db2.gz VUWSINKYKXQVRM-GWCFXTLKSA-N -1 3 297.782 3.034 20 0 CGADHM CSCC1CCC(NC(=O)c2ccccc2[O-])CC1 ZINC000385715152 336154807 /nfs/dbraw/zinc/15/48/07/336154807.db2.gz RONLLZGAHYRSNY-UHFFFAOYSA-N -1 3 279.405 3.044 20 0 CGADHM CCc1ccccc1CNCc1cc([O-])cc(F)c1 ZINC000184143263 521838970 /nfs/dbraw/zinc/83/89/70/521838970.db2.gz TUYPGSYUFLPGHM-UHFFFAOYSA-N -1 3 259.324 3.384 20 0 CGADHM CS[C@@H]1CCC[C@H](NC(=O)c2ccc(C)c(C)c2[O-])C1 ZINC000436543340 533958414 /nfs/dbraw/zinc/95/84/14/533958414.db2.gz DXOCVUJBSDWRQR-QWHCGFSZSA-N -1 3 293.432 3.413 20 0 CGADHM COc1ccccc1/C=C\CNCc1ccc(C(=O)[O-])cc1 ZINC000426684829 533959389 /nfs/dbraw/zinc/95/93/89/533959389.db2.gz CGOZBLBLOJLLJQ-XQRVVYSFSA-N -1 3 297.354 3.196 20 0 CGADHM CC[C@@H](C)[N-]S(=O)(=O)c1ccc2ccccc2c1F ZINC000450960403 535602254 /nfs/dbraw/zinc/60/22/54/535602254.db2.gz RLTIZSUYWNAZLY-SNVBAGLBSA-N -1 3 281.352 3.056 20 0 CGADHM COc1ccccc1CCc1nc(-c2ccc([O-])cc2)no1 ZINC000436765919 534048477 /nfs/dbraw/zinc/04/84/77/534048477.db2.gz ADLAVOCJSQJJAF-UHFFFAOYSA-N -1 3 296.326 3.236 20 0 CGADHM C[C@]1(CNC(=O)c2cccc([O-])c2)C[C@H]1c1ccccc1 ZINC000355047827 534174909 /nfs/dbraw/zinc/17/49/09/534174909.db2.gz KPXCHWRYXACEGQ-FUHWJXTLSA-N -1 3 281.355 3.316 20 0 CGADHM COc1ccccc1NC(=O)c1ccc(C)c(C)c1[O-] ZINC000436755536 534182765 /nfs/dbraw/zinc/18/27/65/534182765.db2.gz NONPXOSADGMGBI-UHFFFAOYSA-N -1 3 271.316 3.270 20 0 CGADHM Cc1ccc(NC(=O)c2cccnc2C2CC2)c([O-])c1 ZINC000335995480 534191342 /nfs/dbraw/zinc/19/13/42/534191342.db2.gz PLFOKHAVPLBWSS-UHFFFAOYSA-N -1 3 268.316 3.225 20 0 CGADHM COc1ccc([O-])c(-c2nc(-c3ccoc3C)no2)c1 ZINC000165729967 534193834 /nfs/dbraw/zinc/19/38/34/534193834.db2.gz IGYDJHWAADVPBC-UHFFFAOYSA-N -1 3 272.260 3.019 20 0 CGADHM Cc1ccc([O-])c(CN2CC[C@H]2c2ccccc2)n1 ZINC000434981951 534196747 /nfs/dbraw/zinc/19/67/47/534196747.db2.gz IWBQMZRQHCHYIM-HNNXBMFYSA-N -1 3 254.333 3.043 20 0 CGADHM COc1ccc(OC)c(C=Cc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000414083918 534225566 /nfs/dbraw/zinc/22/55/66/534225566.db2.gz WQILNLQTZNTVFT-WAYWQWQTSA-N -1 3 298.342 3.247 20 0 CGADHM Cc1ccc(C(=O)NC2(c3ccc(F)cc3)CC2)c([O-])c1 ZINC000436570001 534262779 /nfs/dbraw/zinc/26/27/79/534262779.db2.gz LHJHQJFXMPFQMR-UHFFFAOYSA-N -1 3 285.318 3.259 20 0 CGADHM Cc1ccc(C(=O)NC[C@H](C)Oc2ccccc2)c([O-])c1C ZINC000436917633 534268081 /nfs/dbraw/zinc/26/80/81/534268081.db2.gz ZWPZDAJFWRFZMY-ZDUSSCGKSA-N -1 3 299.370 3.206 20 0 CGADHM CCc1cc(C(=O)NCCSCC(C)C)ccc1[O-] ZINC000486806890 536122089 /nfs/dbraw/zinc/12/20/89/536122089.db2.gz BOJPTLJJEKPIGL-UHFFFAOYSA-N -1 3 281.421 3.074 20 0 CGADHM Cc1ccnc(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)c1 ZINC000436777534 534401099 /nfs/dbraw/zinc/40/10/99/534401099.db2.gz YMABEIGMPUBJCB-UHFFFAOYSA-N -1 3 298.342 3.061 20 0 CGADHM Cc1ccc2c(c1)CN(C(=O)c1cc(C)ccc1[O-])C2 ZINC000436601783 534423619 /nfs/dbraw/zinc/42/36/19/534423619.db2.gz KLWVYMJIADPPOB-UHFFFAOYSA-N -1 3 267.328 3.165 20 0 CGADHM CC(C)CN(CC(=O)[O-])Cc1ccc(F)cc1Cl ZINC000062743333 519711818 /nfs/dbraw/zinc/71/18/18/519711818.db2.gz PUBMAUGUPOMCGW-UHFFFAOYSA-N -1 3 273.735 3.022 20 0 CGADHM [O-]c1ccc(-c2noc(COc3cccc(F)c3)n2)cc1 ZINC000436768931 534452237 /nfs/dbraw/zinc/45/22/37/534452237.db2.gz LVZFAKXXJNNYAF-UHFFFAOYSA-N -1 3 286.262 3.160 20 0 CGADHM O=C([O-])CC1(CNCc2c(F)cccc2Cl)CCC1 ZINC000426640663 534487470 /nfs/dbraw/zinc/48/74/70/534487470.db2.gz TXQZFZLBTYHITR-UHFFFAOYSA-N -1 3 285.746 3.214 20 0 CGADHM CCCCN(C)C(=O)c1c[n-]c2c(C)cc(C)cc2c1=O ZINC000161516556 520398548 /nfs/dbraw/zinc/39/85/48/520398548.db2.gz AEXOAKXRECVLED-UHFFFAOYSA-N -1 3 286.375 3.429 20 0 CGADHM Cc1cccc(C(=O)N2CC[C@H]2Cc2ccccc2)c1[O-] ZINC000436578764 534597038 /nfs/dbraw/zinc/59/70/38/534597038.db2.gz SFIZQOCVAIJTIY-HNNXBMFYSA-N -1 3 281.355 3.158 20 0 CGADHM Cc1cccc(C(=O)N2CC[C@@H]2Cc2ccccc2)c1[O-] ZINC000436578765 534597273 /nfs/dbraw/zinc/59/72/73/534597273.db2.gz SFIZQOCVAIJTIY-OAHLLOKOSA-N -1 3 281.355 3.158 20 0 CGADHM Cc1cccc(C(=O)NC[C@@H](C)Cc2cccs2)c1[O-] ZINC000436584286 534607231 /nfs/dbraw/zinc/60/72/31/534607231.db2.gz LOANDMJEWXIYSI-NSHDSACASA-N -1 3 289.400 3.371 20 0 CGADHM Cc1cccc(C(=O)NCc2c(F)cccc2Cl)c1[O-] ZINC000436901642 534608653 /nfs/dbraw/zinc/60/86/53/534608653.db2.gz CHFHCTUTVDPGPS-UHFFFAOYSA-N -1 3 293.725 3.423 20 0 CGADHM Cc1cccc(C(=O)N[C@@H]2CCCc3c(O)cccc32)c1[O-] ZINC000437002404 534616243 /nfs/dbraw/zinc/61/62/43/534616243.db2.gz MSZIKRBVRZFYME-OAHLLOKOSA-N -1 3 297.354 3.214 20 0 CGADHM C[C@@H]1CCN(Cc2cc(C(=O)[O-])ccc2F)[C@H](C)C1 ZINC000062752968 524511263 /nfs/dbraw/zinc/51/12/63/524511263.db2.gz WATXSRANNXSTOC-GHMZBOCLSA-N -1 3 265.328 3.144 20 0 CGADHM Cc1ccccc1NCCC(=O)Nc1ccc([O-])cc1F ZINC000358151922 534824085 /nfs/dbraw/zinc/82/40/85/534824085.db2.gz OQRDQKMSTFOMPD-UHFFFAOYSA-N -1 3 288.322 3.280 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CCc3ccc(F)cc3C2)c1 ZINC000151530784 525336856 /nfs/dbraw/zinc/33/68/56/525336856.db2.gz BXPKSRHIOAERJR-UHFFFAOYSA-N -1 3 285.318 3.038 20 0 CGADHM CC(C)(C)c1n[nH]cc1C=Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000414067293 526849399 /nfs/dbraw/zinc/84/93/99/526849399.db2.gz HXPAKACDYVKUOY-VOTSOKGWSA-N -1 3 284.363 3.251 20 0 CGADHM CC(=O)c1ccc(C(=O)NCCC2=CCCCC2)cc1[O-] ZINC000436845371 527252909 /nfs/dbraw/zinc/25/29/09/527252909.db2.gz CZUROPNKBRYAIN-UHFFFAOYSA-N -1 3 287.359 3.215 20 0 CGADHM CC(C)[C@H]1CCCC[C@H]1NC(=O)Cc1ccc([O-])c(F)c1 ZINC000448905099 527763141 /nfs/dbraw/zinc/76/31/41/527763141.db2.gz XVERFSSDMXPZIS-UKRRQHHQSA-N -1 3 293.382 3.405 20 0 CGADHM CCCN(C(=O)c1cc2c(cc1[O-])CCCC2)C1CC1 ZINC000436568338 527784218 /nfs/dbraw/zinc/78/42/18/527784218.db2.gz SKJFSRDHCQZFNM-UHFFFAOYSA-N -1 3 273.376 3.286 20 0 CGADHM CC1(CNCc2nc(C(=O)[O-])cs2)CCCCCC1 ZINC000426670538 527983005 /nfs/dbraw/zinc/98/30/05/527983005.db2.gz RVZZWRFVEJJWLU-UHFFFAOYSA-N -1 3 282.409 3.291 20 0 CGADHM CCCN(CC1CC1)C(=O)c1ccc(CC)cc1[O-] ZINC000436803488 528022263 /nfs/dbraw/zinc/02/22/63/528022263.db2.gz PICKKDTUWMYMLN-UHFFFAOYSA-N -1 3 261.365 3.217 20 0 CGADHM CCO[C@H](CNC(=O)c1cccc(C)c1[O-])c1ccccc1 ZINC000436710211 528057395 /nfs/dbraw/zinc/05/73/95/528057395.db2.gz ZPSYCHGZLQKIOW-MRXNPFEDSA-N -1 3 299.370 3.208 20 0 CGADHM CC(C)C[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000440413234 528066681 /nfs/dbraw/zinc/06/66/81/528066681.db2.gz INOHLJFXXOAHRR-UHFFFAOYSA-N -1 3 297.807 3.428 20 0 CGADHM CC(C)C[C@H]1CCCN1C(=O)Cc1ccc([O-])c(F)c1 ZINC000448839296 528589249 /nfs/dbraw/zinc/58/92/49/528589249.db2.gz AHPNNMYFIYWVEL-CYBMUJFWSA-N -1 3 279.355 3.111 20 0 CGADHM CCCCOc1ccc(C(=O)NCc2ccco2)c([O-])c1 ZINC000436977434 528665985 /nfs/dbraw/zinc/66/59/85/528665985.db2.gz FSZOLJXPDHQMFR-UHFFFAOYSA-N -1 3 289.331 3.094 20 0 CGADHM CCCOc1ccc(CNC(=O)c2ccccc2[O-])cc1 ZINC000436514751 528685006 /nfs/dbraw/zinc/68/50/06/528685006.db2.gz PLQVPWMHGCIATJ-UHFFFAOYSA-N -1 3 285.343 3.111 20 0 CGADHM CCC(CC)[C@H](O)CNC(=O)c1ccc(C(C)C)cc1[O-] ZINC000436862469 528863189 /nfs/dbraw/zinc/86/31/89/528863189.db2.gz HKAAMGCQGCZWKM-MRXNPFEDSA-N -1 3 293.407 3.043 20 0 CGADHM CCN(Cc1occc1C)C(=O)c1ccc([O-])c(C)c1 ZINC000413973650 528914221 /nfs/dbraw/zinc/91/42/21/528914221.db2.gz CUFFRJQRXHFICW-UHFFFAOYSA-N -1 3 273.332 3.264 20 0 CGADHM CCN(C(=O)c1ccc(C)cc1[O-])[C@H](C)c1cccnc1 ZINC000115227777 529081136 /nfs/dbraw/zinc/08/11/36/529081136.db2.gz WOCMORSAVPCNJW-CYBMUJFWSA-N -1 3 284.359 3.319 20 0 CGADHM CCc1cccc(Cl)c1CNCCC[C@@H](C)C(=O)[O-] ZINC000426640257 529171563 /nfs/dbraw/zinc/17/15/63/529171563.db2.gz REYKQOCHDZXJET-LLVKDONJSA-N -1 3 283.799 3.493 20 0 CGADHM CC[C@H](C)[C@@H](C)N(C(=O)c1ccc([O-])c(OC)c1)C1CC1 ZINC000436635238 529201940 /nfs/dbraw/zinc/20/19/40/529201940.db2.gz SBWORBQLJSTLKQ-NWDGAFQWSA-N -1 3 291.391 3.440 20 0 CGADHM CC(C)(C)c1ccc(NC(=O)/C=C/c2ncc[nH]2)c([O-])c1 ZINC000493843746 535116517 /nfs/dbraw/zinc/11/65/17/535116517.db2.gz AHHLGHVIESRBEU-VOTSOKGWSA-N -1 3 285.347 3.065 20 0 CGADHM CC(F)(F)c1ccccc1[N-]S(=O)(=O)CCC1CC1 ZINC000451090014 535219243 /nfs/dbraw/zinc/21/92/43/535219243.db2.gz SXQXRUQCJBKKTJ-UHFFFAOYSA-N -1 3 289.347 3.340 20 0 CGADHM CCCc1cc(C(=O)[N-]c2ccc(O)cc2SC)no1 ZINC000451166450 535395355 /nfs/dbraw/zinc/39/53/55/535395355.db2.gz GASWSZIATKVPNF-UHFFFAOYSA-N -1 3 292.360 3.307 20 0 CGADHM CCOc1cc(CN2CCOCC2(C)C)cc(Cl)c1[O-] ZINC000459331907 535673047 /nfs/dbraw/zinc/67/30/47/535673047.db2.gz URZNRBZZQCLXCP-UHFFFAOYSA-N -1 3 299.798 3.055 20 0 CGADHM CC[C@H]([N-]S(=O)(=O)c1cc(C)ccc1F)C(C)(C)C ZINC000518483285 535927687 /nfs/dbraw/zinc/92/76/87/535927687.db2.gz LTHPVSFAWYNFKP-ZDUSSCGKSA-N -1 3 287.400 3.237 20 0 CGADHM COc1ccc(F)c(NC(=O)c2cccc(C)c2[O-])c1 ZINC000094820365 536608341 /nfs/dbraw/zinc/60/83/41/536608341.db2.gz UTNFWQOLWJCTHD-UHFFFAOYSA-N -1 3 275.279 3.101 20 0 CGADHM Fc1ccccc1CSc1ccccc1-c1nnn[n-]1 ZINC000737668276 571741252 /nfs/dbraw/zinc/74/12/52/571741252.db2.gz FUEYMVILDVVPIE-UHFFFAOYSA-N -1 3 286.335 3.298 20 0 CGADHM Fc1ccccc1CSc1ccccc1-c1nn[n-]n1 ZINC000737668276 571741254 /nfs/dbraw/zinc/74/12/54/571741254.db2.gz FUEYMVILDVVPIE-UHFFFAOYSA-N -1 3 286.335 3.298 20 0 CGADHM O=C(N[C@@H]1CC[C@@H](F)C1)c1cc([O-])c2ccccc2c1 ZINC000335675438 571751731 /nfs/dbraw/zinc/75/17/31/571751731.db2.gz OEUXOXWCVFTRMQ-CHWSQXEVSA-N -1 3 273.307 3.166 20 0 CGADHM CCCCCC[C@H](C)CC(=O)Nc1nnc(SC)[n-]1 ZINC000727854119 571773611 /nfs/dbraw/zinc/77/36/11/571773611.db2.gz YGLFOBLGEKZNNH-JTQLQIEISA-N -1 3 284.429 3.462 20 0 CGADHM CCCCCC[C@H](C)CC(=O)Nc1nc(SC)n[n-]1 ZINC000727854119 571773614 /nfs/dbraw/zinc/77/36/14/571773614.db2.gz YGLFOBLGEKZNNH-JTQLQIEISA-N -1 3 284.429 3.462 20 0 CGADHM CCCCCC[C@H](C)CC(=O)Nc1n[n-]c(SC)n1 ZINC000727854119 571773616 /nfs/dbraw/zinc/77/36/16/571773616.db2.gz YGLFOBLGEKZNNH-JTQLQIEISA-N -1 3 284.429 3.462 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])[C@@H]1CC[C@H](C(F)(F)F)C1 ZINC000336358787 571803640 /nfs/dbraw/zinc/80/36/40/571803640.db2.gz WZKBHQLUGGQDBF-SFYZADRCSA-N -1 3 291.244 3.448 20 0 CGADHM O=C([O-])[C@@H](N[C@@H]1CCc2ccc(F)cc21)c1ccccc1 ZINC000738521112 571829326 /nfs/dbraw/zinc/82/93/26/571829326.db2.gz MLDSNVWRPPPEGL-CVEARBPZSA-N -1 3 285.318 3.229 20 0 CGADHM Cc1ccc2c(c1)N(c1cccc(F)c1-c1nnn[n-]1)CC2 ZINC000737375848 572339497 /nfs/dbraw/zinc/33/94/97/572339497.db2.gz FTPZJFPDCRUOSC-UHFFFAOYSA-N -1 3 295.321 3.008 20 0 CGADHM Cc1ccc2c(c1)N(c1cccc(F)c1-c1nn[n-]n1)CC2 ZINC000737375848 572339499 /nfs/dbraw/zinc/33/94/99/572339499.db2.gz FTPZJFPDCRUOSC-UHFFFAOYSA-N -1 3 295.321 3.008 20 0 CGADHM Cc1cccc(CSc2ccccc2-c2nnn[n-]2)c1 ZINC000737396983 572339551 /nfs/dbraw/zinc/33/95/51/572339551.db2.gz PIWCVXAOAVLXLQ-UHFFFAOYSA-N -1 3 282.372 3.467 20 0 CGADHM Cc1cccc(CSc2ccccc2-c2nn[n-]n2)c1 ZINC000737396983 572339554 /nfs/dbraw/zinc/33/95/54/572339554.db2.gz PIWCVXAOAVLXLQ-UHFFFAOYSA-N -1 3 282.372 3.467 20 0 CGADHM Cc1cccc(C)c1COc1ccccc1-c1nnn[n-]1 ZINC000737389569 572339629 /nfs/dbraw/zinc/33/96/29/572339629.db2.gz KNAPGWXBURNGQQ-UHFFFAOYSA-N -1 3 280.331 3.063 20 0 CGADHM Cc1cccc(C)c1COc1ccccc1-c1nn[n-]n1 ZINC000737389569 572339630 /nfs/dbraw/zinc/33/96/30/572339630.db2.gz KNAPGWXBURNGQQ-UHFFFAOYSA-N -1 3 280.331 3.063 20 0 CGADHM Cc1ccc(C)c(CNCc2ccc(C(=O)[O-])cc2)c1 ZINC000258836304 572342877 /nfs/dbraw/zinc/34/28/77/572342877.db2.gz HQDNBIMLAWVSAF-UHFFFAOYSA-N -1 3 269.344 3.291 20 0 CGADHM Clc1cccc(NCCc2ccccc2)c1-c1nnn[n-]1 ZINC000737576609 572349485 /nfs/dbraw/zinc/34/94/85/572349485.db2.gz ZNZFRYKIIVBNGA-UHFFFAOYSA-N -1 3 299.765 3.175 20 0 CGADHM Clc1cccc(NCCc2ccccc2)c1-c1nn[n-]n1 ZINC000737576609 572349488 /nfs/dbraw/zinc/34/94/88/572349488.db2.gz ZNZFRYKIIVBNGA-UHFFFAOYSA-N -1 3 299.765 3.175 20 0 CGADHM c1ccc2c(c1)CC(Sc1ccc(-c3nnn[n-]3)cc1)C2 ZINC000738436399 572375677 /nfs/dbraw/zinc/37/56/77/572375677.db2.gz HOVIVYCIFVNQLF-UHFFFAOYSA-N -1 3 294.383 3.126 20 0 CGADHM c1ccc2c(c1)CC(Sc1ccc(-c3nn[n-]n3)cc1)C2 ZINC000738436399 572375679 /nfs/dbraw/zinc/37/56/79/572375679.db2.gz HOVIVYCIFVNQLF-UHFFFAOYSA-N -1 3 294.383 3.126 20 0 CGADHM Cc1oc(C(=O)[O-])cc1CNC1(c2ccccc2)CCC1 ZINC000738964073 572397881 /nfs/dbraw/zinc/39/78/81/572397881.db2.gz QEMLINPCAPIWIY-UHFFFAOYSA-N -1 3 285.343 3.455 20 0 CGADHM C[C@H](NCC1CCN(C(=O)[O-])CC1)c1c(F)cccc1F ZINC000739036246 572399339 /nfs/dbraw/zinc/39/93/39/572399339.db2.gz RTFZYVMRIHCPQE-JTQLQIEISA-N -1 3 298.333 3.005 20 0 CGADHM C[C@H](NC(=O)[O-])C1CCN(C/C=C/c2ccccc2)CC1 ZINC000739028191 572399549 /nfs/dbraw/zinc/39/95/49/572399549.db2.gz QEZMQCAJAVAWPR-GPAKFWEMSA-N -1 3 288.391 3.068 20 0 CGADHM O=c1[n-]c(Sc2ccc(O)cc2)nc2ccccc21 ZINC000725787262 572402068 /nfs/dbraw/zinc/40/20/68/572402068.db2.gz DBVVNMVJHYPYFJ-UHFFFAOYSA-N -1 3 270.313 3.192 20 0 CGADHM O=C(O[C@H]1CCCc2ccccc2C1=O)c1ccc([O-])cc1 ZINC000731505193 572414672 /nfs/dbraw/zinc/41/46/72/572414672.db2.gz XQHVIKNFMJQXDY-INIZCTEOSA-N -1 3 296.322 3.137 20 0 CGADHM O=C([O-])c1ccc(CNC2(c3ccccc3)CC2)cc1 ZINC000740130872 572433827 /nfs/dbraw/zinc/43/38/27/572433827.db2.gz XPZCKMOLVYHRCU-UHFFFAOYSA-N -1 3 267.328 3.164 20 0 CGADHM O=C([O-])N1CCC[C@@H](CN2CCCC[C@@H]2c2ccco2)C1 ZINC000740512571 572443590 /nfs/dbraw/zinc/44/35/90/572443590.db2.gz QBQAEFDDFNAUET-UONOGXRCSA-N -1 3 292.379 3.197 20 0 CGADHM CC[C@@H]1C[C@@H](C)CN1Cn1[n-]c(C(C)(C)C)nc1=S ZINC000744439593 572451801 /nfs/dbraw/zinc/45/18/01/572451801.db2.gz AACVUFYMCVARQK-GHMZBOCLSA-N -1 3 282.457 3.316 20 0 CGADHM C[C@H](OC(=O)c1cncc([O-])c1)c1ccc(F)c(Cl)c1 ZINC000732390867 572462222 /nfs/dbraw/zinc/46/22/22/572462222.db2.gz AQIRMNRMFZWYFQ-QMMMGPOBSA-N -1 3 295.697 3.498 20 0 CGADHM O=C([O-])c1ccc2c(c1)CN(CCC1CCCC1)C2 ZINC000302240227 572515071 /nfs/dbraw/zinc/51/50/71/572515071.db2.gz DCTKBXVRGFXWGS-UHFFFAOYSA-N -1 3 259.349 3.281 20 0 CGADHM CC[C@H](c1ccc(Cl)cc1)N1CC[C@@H](CNC(=O)[O-])C1 ZINC000739279698 572540951 /nfs/dbraw/zinc/54/09/51/572540951.db2.gz SEVPIPQPQYUNBI-SMDDNHRTSA-N -1 3 296.798 3.381 20 0 CGADHM O=c1ccnc(C=Cc2ccc(Br)cc2F)[n-]1 ZINC000742220172 572559174 /nfs/dbraw/zinc/55/91/74/572559174.db2.gz JXSMWSUPKPTXGN-RQOWECAXSA-N -1 3 295.111 3.254 20 0 CGADHM COc1cccc(-c2noc([N-][C@@H](C)c3ccccn3)n2)c1 ZINC000742389054 572574977 /nfs/dbraw/zinc/57/49/77/572574977.db2.gz BAKNWSWOHXPULA-NSHDSACASA-N -1 3 296.330 3.313 20 0 CGADHM C[C@H](NC(=O)c1ccccc1[O-])c1nc2ccccc2s1 ZINC000734110730 572628950 /nfs/dbraw/zinc/62/89/50/572628950.db2.gz GLKFVMTZFZNOHE-JTQLQIEISA-N -1 3 298.367 3.493 20 0 CGADHM Cn1cccc1C[N-]C(=O)C(F)(F)c1cccc(Cl)c1 ZINC000743788865 572683561 /nfs/dbraw/zinc/68/35/61/572683561.db2.gz FCFWZKLUTZRRHR-UHFFFAOYSA-N -1 3 298.720 3.087 20 0 CGADHM CCC/C=C\C(=O)Oc1cccc(-c2nc(C)cc(=O)[n-]2)c1 ZINC000744219070 572725552 /nfs/dbraw/zinc/72/55/52/572725552.db2.gz ZMELIXVSCGHGKF-UITAMQMPSA-N -1 3 298.342 3.419 20 0 CGADHM C[C@H](c1ccccc1F)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736205682 572772611 /nfs/dbraw/zinc/77/26/11/572772611.db2.gz XOUFRKHPIZQZDG-LLVKDONJSA-N -1 3 297.337 3.203 20 0 CGADHM C[C@H](c1ccccc1F)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736205682 572772616 /nfs/dbraw/zinc/77/26/16/572772616.db2.gz XOUFRKHPIZQZDG-LLVKDONJSA-N -1 3 297.337 3.203 20 0 CGADHM C[C@H]1C[C@H](C)CN(c2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000736228014 572774077 /nfs/dbraw/zinc/77/40/77/572774077.db2.gz NBPADBQHYXNMCJ-UWVGGRQHSA-N -1 3 291.786 3.002 20 0 CGADHM C[C@H]1C[C@H](C)CN(c2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000736228014 572774081 /nfs/dbraw/zinc/77/40/81/572774081.db2.gz NBPADBQHYXNMCJ-UWVGGRQHSA-N -1 3 291.786 3.002 20 0 CGADHM C[C@H]1CCCN(c2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000736278681 572778797 /nfs/dbraw/zinc/77/87/97/572778797.db2.gz UGZUKQFLAONTPH-JTQLQIEISA-N -1 3 291.786 3.147 20 0 CGADHM C[C@H]1CCCN(c2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000736278681 572778801 /nfs/dbraw/zinc/77/88/01/572778801.db2.gz UGZUKQFLAONTPH-JTQLQIEISA-N -1 3 291.786 3.147 20 0 CGADHM CCC[C@H](C)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000736425247 572789463 /nfs/dbraw/zinc/78/94/63/572789463.db2.gz UMPYLAYPSMNNMP-QMMMGPOBSA-N -1 3 299.300 3.486 20 0 CGADHM CCC[C@H](C)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000736425247 572789464 /nfs/dbraw/zinc/78/94/64/572789464.db2.gz UMPYLAYPSMNNMP-QMMMGPOBSA-N -1 3 299.300 3.486 20 0 CGADHM CCCCC[C@@H](C)Nc1cccc(F)c1-c1nnn[n-]1 ZINC000736440956 572792280 /nfs/dbraw/zinc/79/22/80/572792280.db2.gz JZVLGTZVNQWPDE-SNVBAGLBSA-N -1 3 277.347 3.387 20 0 CGADHM CCCCC[C@@H](C)Nc1cccc(F)c1-c1nn[n-]n1 ZINC000736440956 572792285 /nfs/dbraw/zinc/79/22/85/572792285.db2.gz JZVLGTZVNQWPDE-SNVBAGLBSA-N -1 3 277.347 3.387 20 0 CGADHM CSCC[C@@H](C)NC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000736710525 572806169 /nfs/dbraw/zinc/80/61/69/572806169.db2.gz HWWASEHDIBJHGD-LLVKDONJSA-N -1 3 293.432 3.142 20 0 CGADHM CN(c1c(Cl)cccc1-c1nnn[n-]1)C1CCCCC1 ZINC000736841215 572820866 /nfs/dbraw/zinc/82/08/66/572820866.db2.gz AGYCXKFDGCKBSS-UHFFFAOYSA-N -1 3 291.786 3.289 20 0 CGADHM CN(c1c(Cl)cccc1-c1nn[n-]n1)C1CCCCC1 ZINC000736841215 572820869 /nfs/dbraw/zinc/82/08/69/572820869.db2.gz AGYCXKFDGCKBSS-UHFFFAOYSA-N -1 3 291.786 3.289 20 0 CGADHM Cc1cc(C)cc(OCc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000737257568 572868359 /nfs/dbraw/zinc/86/83/59/572868359.db2.gz WGPUGHPTYBWWNJ-UHFFFAOYSA-N -1 3 298.321 3.202 20 0 CGADHM Cc1cc(C)cc(OCc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000737257568 572868363 /nfs/dbraw/zinc/86/83/63/572868363.db2.gz WGPUGHPTYBWWNJ-UHFFFAOYSA-N -1 3 298.321 3.202 20 0 CGADHM CCc1cccc(C(=O)N2CCCCCCC2)c1[O-] ZINC000748013811 572957888 /nfs/dbraw/zinc/95/78/88/572957888.db2.gz PHZZHBDJMWMWPS-UHFFFAOYSA-N -1 3 261.365 3.361 20 0 CGADHM Cc1cscc1NC([O-])=NOCc1ccccc1 ZINC000748670871 572981914 /nfs/dbraw/zinc/98/19/14/572981914.db2.gz QBGAGHYXTLWVTR-UHFFFAOYSA-N -1 3 262.334 3.310 20 0 CGADHM Cc1cscc1NC(=O)[N-]OCc1ccccc1 ZINC000748670871 572981915 /nfs/dbraw/zinc/98/19/15/572981915.db2.gz QBGAGHYXTLWVTR-UHFFFAOYSA-N -1 3 262.334 3.310 20 0 CGADHM CCC[C@H](C)CC(=O)Nc1n[n-]c(-c2cccs2)n1 ZINC000748837171 572986701 /nfs/dbraw/zinc/98/67/01/572986701.db2.gz DTRCVDSJWBWRKH-VIFPVBQESA-N -1 3 278.381 3.298 20 0 CGADHM Cc1ccc(SCC[N-]C(=O)C(F)(F)C(F)F)cc1 ZINC000749334978 572992205 /nfs/dbraw/zinc/99/22/05/572992205.db2.gz LDBMILGJDZFVAN-UHFFFAOYSA-N -1 3 295.301 3.104 20 0 CGADHM CC1(C)CCCN(c2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000820595937 599038177 /nfs/dbraw/zinc/03/81/77/599038177.db2.gz LJTHLERLMLXMMQ-UHFFFAOYSA-N -1 3 289.358 3.022 20 0 CGADHM CC1(C)CCCN(c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000820595937 599038179 /nfs/dbraw/zinc/03/81/79/599038179.db2.gz LJTHLERLMLXMMQ-UHFFFAOYSA-N -1 3 289.358 3.022 20 0 CGADHM O=C([O-])c1ccc(CNCc2nccc3ccccc32)cc1 ZINC000819683659 597136109 /nfs/dbraw/zinc/13/61/09/597136109.db2.gz CPAQETRMXGIWEQ-UHFFFAOYSA-N -1 3 292.338 3.223 20 0 CGADHM Clc1ccc(NCc2cccs2)c(-c2nnn[n-]2)c1 ZINC000095164605 598791192 /nfs/dbraw/zinc/79/11/92/598791192.db2.gz BJPLUZXHFNXXIU-UHFFFAOYSA-N -1 3 291.767 3.194 20 0 CGADHM Clc1ccc(NCc2cccs2)c(-c2nn[n-]n2)c1 ZINC000095164605 598791193 /nfs/dbraw/zinc/79/11/93/598791193.db2.gz BJPLUZXHFNXXIU-UHFFFAOYSA-N -1 3 291.767 3.194 20 0 CGADHM c1ccc(-c2nnn[n-]2)c(SCC2CCCC2)c1 ZINC000823772674 599351404 /nfs/dbraw/zinc/35/14/04/599351404.db2.gz LREQHHAYKJKHQP-UHFFFAOYSA-N -1 3 260.366 3.149 20 0 CGADHM c1ccc(-c2nn[n-]n2)c(SCC2CCCC2)c1 ZINC000823772674 599351406 /nfs/dbraw/zinc/35/14/06/599351406.db2.gz LREQHHAYKJKHQP-UHFFFAOYSA-N -1 3 260.366 3.149 20 0 CGADHM Clc1cc(NCCCC2CC2)ccc1-c1nnn[n-]1 ZINC000737566525 599443613 /nfs/dbraw/zinc/44/36/13/599443613.db2.gz UOPUOUFAHXEIKG-UHFFFAOYSA-N -1 3 277.759 3.122 20 0 CGADHM Clc1cc(NCCCC2CC2)ccc1-c1nn[n-]n1 ZINC000737566525 599443615 /nfs/dbraw/zinc/44/36/15/599443615.db2.gz UOPUOUFAHXEIKG-UHFFFAOYSA-N -1 3 277.759 3.122 20 0 CGADHM C[C@H]1CCC[C@H](N(C)c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000820698322 599470818 /nfs/dbraw/zinc/47/08/18/599470818.db2.gz SSUMBABHQATUMD-JQWIXIFHSA-N -1 3 289.358 3.021 20 0 CGADHM C[C@H]1CCC[C@H](N(C)c2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000820698322 599470815 /nfs/dbraw/zinc/47/08/15/599470815.db2.gz SSUMBABHQATUMD-JQWIXIFHSA-N -1 3 289.358 3.021 20 0 CGADHM CC[C@@H]1CCCN(c2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000820979655 599561088 /nfs/dbraw/zinc/56/10/88/599561088.db2.gz IZQNBXRUHSSISM-LLVKDONJSA-N -1 3 289.358 3.022 20 0 CGADHM CC[C@@H]1CCCN(c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000820979655 599561091 /nfs/dbraw/zinc/56/10/91/599561091.db2.gz IZQNBXRUHSSISM-LLVKDONJSA-N -1 3 289.358 3.022 20 0 CGADHM CCc1ccccc1CN[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000737272090 600727998 /nfs/dbraw/zinc/72/79/98/600727998.db2.gz IHKRCQSVLOYOGN-MRXNPFEDSA-N -1 3 287.334 3.304 20 0 CGADHM O=C([O-])c1coc(CN2CCC(C3CCCC3)CC2)c1 ZINC000708766652 600841503 /nfs/dbraw/zinc/84/15/03/600841503.db2.gz PSEYCOBEZUHSKM-UHFFFAOYSA-N -1 3 277.364 3.380 20 0 CGADHM CC[C@](C)(CC(=O)[O-])NCc1csc(-c2ccco2)n1 ZINC000828672598 601432906 /nfs/dbraw/zinc/43/29/06/601432906.db2.gz TXLBTRDBGZNXRJ-CQSZACIVSA-N -1 3 294.376 3.136 20 0 CGADHM C[C@@H](NCC(C)(C)C(=O)[O-])c1ncc(-c2ccccc2)o1 ZINC000827734120 601645091 /nfs/dbraw/zinc/64/50/91/601645091.db2.gz CSAAXBWGSMEGJH-LLVKDONJSA-N -1 3 288.347 3.103 20 0 CGADHM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C/C(Cl)=C/Cl ZINC000252637904 602033792 /nfs/dbraw/zinc/03/37/92/602033792.db2.gz IEYQPAQAHHLYCR-GPDZBVFDSA-N -1 3 278.179 3.023 20 0 CGADHM CN(Cc1cc(F)cc(F)c1)[C@H](C(=O)[O-])c1ccccc1 ZINC000833694624 604644918 /nfs/dbraw/zinc/64/49/18/604644918.db2.gz WNUDLFIHDFKMKX-HNNXBMFYSA-N -1 3 291.297 3.223 20 0 CGADHM C/C(=C\CN1CC=C(c2cccc(C)c2)CC1)C(=O)[O-] ZINC000833381921 604848690 /nfs/dbraw/zinc/84/86/90/604848690.db2.gz FSWAKDBJONQUQN-MKMNVTDBSA-N -1 3 271.360 3.115 20 0 CGADHM CC(C)(CNCc1csc(-c2cccs2)n1)C(=O)[O-] ZINC000756307817 605112924 /nfs/dbraw/zinc/11/29/24/605112924.db2.gz PLNWCOZMDJURCG-UHFFFAOYSA-N -1 3 296.417 3.072 20 0 CGADHM CCc1cnccc1[C@@H](C)NCc1cccc(C(=O)[O-])c1 ZINC000263395880 605271566 /nfs/dbraw/zinc/27/15/66/605271566.db2.gz GMYPMDDJUYYNIN-GFCCVEGCSA-N -1 3 284.359 3.193 20 0 CGADHM CCc1onc(C)c1C=Cc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000899386339 620683376 /nfs/dbraw/zinc/68/33/76/620683376.db2.gz ZIAOXQGGGBXNAE-SNAWJCMRSA-N -1 3 299.252 3.230 20 0 CGADHM Cc1csc([C@H](C)N[C@@H](C)C[C@H]2CCCN2C(=O)[O-])n1 ZINC000830655694 605498642 /nfs/dbraw/zinc/49/86/42/605498642.db2.gz VHODJWVSQPTUAA-ZMLRMANQSA-N -1 3 297.424 3.023 20 0 CGADHM CCC[C@@H](C)Sc1ccc(-c2nnn[n-]2)cc1F ZINC000821016615 606329326 /nfs/dbraw/zinc/32/93/26/606329326.db2.gz XXQLKDVYSXDXKI-MRVPVSSYSA-N -1 3 266.345 3.287 20 0 CGADHM CCC[C@@H](C)Sc1ccc(-c2nn[n-]n2)cc1F ZINC000821016615 606329328 /nfs/dbraw/zinc/32/93/28/606329328.db2.gz XXQLKDVYSXDXKI-MRVPVSSYSA-N -1 3 266.345 3.287 20 0 CGADHM CSc1ccc(CNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000037102024 606659570 /nfs/dbraw/zinc/65/95/70/606659570.db2.gz VQLNSIFKBBRCPM-UHFFFAOYSA-N -1 3 297.387 3.201 20 0 CGADHM CSc1ccc(CNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000037102024 606659571 /nfs/dbraw/zinc/65/95/71/606659571.db2.gz VQLNSIFKBBRCPM-UHFFFAOYSA-N -1 3 297.387 3.201 20 0 CGADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1NC1CC=CC1 ZINC000822718928 607119808 /nfs/dbraw/zinc/11/98/08/607119808.db2.gz VPVWIPGLSYGRLO-UHFFFAOYSA-N -1 3 295.268 3.016 20 0 CGADHM Cc1ccc(NCc2ccc(-c3nnn[n-]3)s2)c(C)c1 ZINC000822254403 607129268 /nfs/dbraw/zinc/12/92/68/607129268.db2.gz IXHFUHIJJGCJFW-UHFFFAOYSA-N -1 3 285.376 3.157 20 0 CGADHM FC(F)(F)c1ccc(-c2nnn[n-]2)cc1NC1CCCC1 ZINC000822723642 607226036 /nfs/dbraw/zinc/22/60/36/607226036.db2.gz JCIZAKONDFBIBB-UHFFFAOYSA-N -1 3 297.284 3.240 20 0 CGADHM FC(F)(F)c1ccc(-c2nn[n-]n2)cc1NC1CCCC1 ZINC000822723642 607226037 /nfs/dbraw/zinc/22/60/37/607226037.db2.gz JCIZAKONDFBIBB-UHFFFAOYSA-N -1 3 297.284 3.240 20 0 CGADHM CCC[C@H](C)Nc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000825232359 608221455 /nfs/dbraw/zinc/22/14/55/608221455.db2.gz GKWNRCDVAFWGGR-JTQLQIEISA-N -1 3 282.351 3.015 20 0 CGADHM CCC[C@H](C)Nc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000825232359 608221454 /nfs/dbraw/zinc/22/14/54/608221454.db2.gz GKWNRCDVAFWGGR-JTQLQIEISA-N -1 3 282.351 3.015 20 0 CGADHM c1ccc([C@@H]2C[C@H]2CNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826520865 608870047 /nfs/dbraw/zinc/87/00/47/608870047.db2.gz SWTHUKHJMYKXMR-HOCLYGCPSA-N -1 3 291.358 3.082 20 0 CGADHM c1ccc([C@@H]2C[C@H]2CNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826520865 608870054 /nfs/dbraw/zinc/87/00/54/608870054.db2.gz SWTHUKHJMYKXMR-HOCLYGCPSA-N -1 3 291.358 3.082 20 0 CGADHM Cc1ccccc1N[C@H](C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826307816 609156640 /nfs/dbraw/zinc/15/66/40/609156640.db2.gz XJOOZIZUXLRCEH-LLVKDONJSA-N -1 3 297.337 3.487 20 0 CGADHM Cc1ccccc1N[C@H](C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826307816 609156641 /nfs/dbraw/zinc/15/66/41/609156641.db2.gz XJOOZIZUXLRCEH-LLVKDONJSA-N -1 3 297.337 3.487 20 0 CGADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ncc(Cl)s1 ZINC000826255309 609213696 /nfs/dbraw/zinc/21/36/96/609213696.db2.gz SPCGJPBHUNIKJA-UHFFFAOYSA-N -1 3 293.739 3.077 20 0 CGADHM Cc1cccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1F ZINC000826299435 609255436 /nfs/dbraw/zinc/25/54/36/609255436.db2.gz FHPYVGHZZUXFJU-NSHDSACASA-N -1 3 297.337 3.487 20 0 CGADHM Cc1cccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1F ZINC000826299435 609255438 /nfs/dbraw/zinc/25/54/38/609255438.db2.gz FHPYVGHZZUXFJU-NSHDSACASA-N -1 3 297.337 3.487 20 0 CGADHM Cc1ccccc1N[C@H](C)c1ccc(-c2nnn[n-]2)cc1F ZINC000826307672 609346645 /nfs/dbraw/zinc/34/66/45/609346645.db2.gz RVKZOAMGOFGPOH-LLVKDONJSA-N -1 3 297.337 3.487 20 0 CGADHM Cc1ccccc1N[C@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC000826307672 609346647 /nfs/dbraw/zinc/34/66/47/609346647.db2.gz RVKZOAMGOFGPOH-LLVKDONJSA-N -1 3 297.337 3.487 20 0 CGADHM Cc1ccc(N(C)C(=O)c2ccc(C)cc2[O-])cc1 ZINC000050009646 618038774 /nfs/dbraw/zinc/03/87/74/618038774.db2.gz MNXRDNRLNWTCJS-UHFFFAOYSA-N -1 3 255.317 3.286 20 0 CGADHM C=CCc1cc(/C=C(/C#N)C(=O)C2CCC2)cc(OC)c1[O-] ZINC000051968969 618674845 /nfs/dbraw/zinc/67/48/45/618674845.db2.gz URJZPHPELIWKSF-DHDCSXOGSA-N -1 3 297.354 3.405 20 0 CGADHM C/C(=C/CN[C@H](C)c1ccccc1Cl)C(=O)[O-] ZINC000235198007 618741620 /nfs/dbraw/zinc/74/16/20/618741620.db2.gz TXHPHWHZBVWAJI-UJICNMFASA-N -1 3 253.729 3.022 20 0 CGADHM [O-]c1ccc(CN2CCOCC23CCCCC3)cc1F ZINC000894755447 619624229 /nfs/dbraw/zinc/62/42/29/619624229.db2.gz QULKTEXMWLLIFF-UHFFFAOYSA-N -1 3 279.355 3.066 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)C[C@H](C)c1ccccc1F ZINC000794851666 619777147 /nfs/dbraw/zinc/77/71/47/619777147.db2.gz HCPYGFHUQKPZEQ-RYUDHWBXSA-N -1 3 267.344 3.413 20 0 CGADHM O=C(CC[C@@H]1CCc2ccccc21)[N-]OCc1ccccn1 ZINC000909519291 619811735 /nfs/dbraw/zinc/81/17/35/619811735.db2.gz GXKMDGLITXFOQZ-HNNXBMFYSA-N -1 3 296.370 3.140 20 0 CGADHM CC1(C)CO[C@@H](CC(=O)Nc2cc(Cl)ccc2[O-])C1 ZINC000895849746 619897490 /nfs/dbraw/zinc/89/74/90/619897490.db2.gz YYTYUJGDCJKJEG-JTQLQIEISA-N -1 3 283.755 3.189 20 0 CGADHM C/C(=C/Cl)CS[C@H](C)c1nc(C)cc(=O)[n-]1 ZINC000797813929 620230829 /nfs/dbraw/zinc/23/08/29/620230829.db2.gz OUDKHGNSQNSUJA-WILPJHFFSA-N -1 3 258.774 3.427 20 0 CGADHM CC[C@H]1CCC[C@@]1(C)C(=O)[N-]OCc1cccc(C)n1 ZINC000898928937 620608483 /nfs/dbraw/zinc/60/84/83/620608483.db2.gz MPDLHFBLXJMCOG-XJKSGUPXSA-N -1 3 276.380 3.154 20 0 CGADHM CC[C@H](CC(=O)[N-]OCc1cccc(C)n1)C(C)C ZINC000898935787 620611025 /nfs/dbraw/zinc/61/10/25/620611025.db2.gz KUCPYDOEUXAVPB-CYBMUJFWSA-N -1 3 264.369 3.010 20 0 CGADHM C[C@]1(NCc2cccc(C(=O)[O-])n2)CCCc2ccccc21 ZINC000901439616 620887787 /nfs/dbraw/zinc/88/77/87/620887787.db2.gz UPVWOYHKKKVYBQ-SFHVURJKSA-N -1 3 296.370 3.121 20 0 CGADHM Cc1ccc2cc(CN3CCC4(C[C@H]4C(=O)[O-])CC3)[nH]c2c1 ZINC000901501285 620902787 /nfs/dbraw/zinc/90/27/87/620902787.db2.gz VHOSZHFQFXYIAW-HNNXBMFYSA-N -1 3 298.386 3.163 20 0 CGADHM CCN(CCC(=O)[O-])Cc1cnc(C2CCCC2)s1 ZINC000901602458 620950910 /nfs/dbraw/zinc/95/09/10/620950910.db2.gz SZLBJPNWJBDJAG-UHFFFAOYSA-N -1 3 282.409 3.097 20 0 CGADHM C[C@]1(C(=O)[O-])CCCN(C/C=C/c2ccc(F)cc2F)C1 ZINC000901700427 620993817 /nfs/dbraw/zinc/99/38/17/620993817.db2.gz JBUQBELASCOQEJ-ICTCPBKTSA-N -1 3 295.329 3.165 20 0 CGADHM C[C@H](CN(Cc1cnc(C2CCC2)s1)C1CC1)C(=O)[O-] ZINC000901992395 621087554 /nfs/dbraw/zinc/08/75/54/621087554.db2.gz IFIXMGJXGTWBMS-SNVBAGLBSA-N -1 3 294.420 3.096 20 0 CGADHM O=C([O-])[C@@H]1C[C@H](C2CCCCC2)CN1Cc1ccco1 ZINC000902046622 621115330 /nfs/dbraw/zinc/11/53/30/621115330.db2.gz OERNHQKPYGGZNG-ZFWWWQNUSA-N -1 3 277.364 3.135 20 0 CGADHM Cc1ccccc1C1(NCc2ccoc2C(=O)[O-])CCC1 ZINC000902309836 621250083 /nfs/dbraw/zinc/25/00/83/621250083.db2.gz ZNSKPDYRULFTDS-UHFFFAOYSA-N -1 3 285.343 3.455 20 0 CGADHM C[C@@H]1CCc2ccccc2[C@@H]1NCc1ccc(C(=O)[O-])o1 ZINC000902336127 621271541 /nfs/dbraw/zinc/27/15/41/621271541.db2.gz HOMITJDELZNYIC-BDJLRTHQSA-N -1 3 285.343 3.391 20 0 CGADHM CC[C@H](C)[C@H](C(=O)[O-])N1CCC[C@@H]1c1ccc(COC)o1 ZINC000903597341 621773989 /nfs/dbraw/zinc/77/39/89/621773989.db2.gz LNDKYGWJMZPNOM-NJZAAPMLSA-N -1 3 295.379 3.062 20 0 CGADHM Cc1ccc(C(C)(C)NCc2ccc(C(=O)[O-])s2)cn1 ZINC000903683690 621788077 /nfs/dbraw/zinc/78/80/77/621788077.db2.gz XWIOYNSTTKBUDO-UHFFFAOYSA-N -1 3 290.388 3.175 20 0 CGADHM CC(C)CCC1CCN(Cc2cncc(C(=O)[O-])c2)CC1 ZINC000903898290 621829479 /nfs/dbraw/zinc/82/94/79/621829479.db2.gz OFBNQKHXIBUMAX-UHFFFAOYSA-N -1 3 290.407 3.428 20 0 CGADHM CC(C)CCCN1CCOc2c(cccc2C(=O)[O-])C1 ZINC000903920138 621833017 /nfs/dbraw/zinc/83/30/17/621833017.db2.gz CDNYHCHFTXCUDF-UHFFFAOYSA-N -1 3 277.364 3.015 20 0 CGADHM CCCONC(=O)N([O-])Cc1cccc2ccccc21 ZINC000904196599 621888228 /nfs/dbraw/zinc/88/82/28/621888228.db2.gz ZIDWHIOIZZRNNW-UHFFFAOYSA-N -1 3 274.320 3.082 20 0 CGADHM Cc1ccc(CN[C@@H](C(=O)[O-])c2ccc(C)c(C)c2)c(C)n1 ZINC000905383190 622064220 /nfs/dbraw/zinc/06/42/20/622064220.db2.gz ZEROYONIKXASJM-QGZVFWFLSA-N -1 3 298.386 3.231 20 0 CGADHM COc1cccc([O-])c1C(=O)N1CC2(CCC2)[C@@H]1C(C)C ZINC000908344362 622343582 /nfs/dbraw/zinc/34/35/82/622343582.db2.gz NOAKMFVMDHKXNJ-HNNXBMFYSA-N -1 3 289.375 3.052 20 0 CGADHM CC[C@@H]([N-]C(=O)C(F)(F)C(F)F)c1ccccc1 ZINC000226603553 622983887 /nfs/dbraw/zinc/98/38/87/622983887.db2.gz XTPYFIFCTQIUSY-SECBINFHSA-N -1 3 263.234 3.154 20 0 CGADHM Cc1cnc(Cl)c([N-]S(=O)(=O)c2ccccc2C)c1 ZINC000230406565 623237951 /nfs/dbraw/zinc/23/79/51/623237951.db2.gz YBAADCGRIGBHHC-UHFFFAOYSA-N -1 3 296.779 3.153 20 0 CGADHM C[C@H](Cc1ccsc1)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC000314909521 623664536 /nfs/dbraw/zinc/66/45/36/623664536.db2.gz GHEFOATVSCAXGZ-BDAKNGLRSA-N -1 3 296.417 3.185 20 0 CGADHM CC(C)c1noc(COC(=O)c2cc3ccsc3[n-]2)n1 ZINC000914892137 623875178 /nfs/dbraw/zinc/87/51/78/623875178.db2.gz ZMNMJOGYUWYSCG-UHFFFAOYSA-N -1 3 291.332 3.093 20 0 CGADHM CC/C(=C/C(=O)[N-]OCC(F)(F)F)c1ccc(C)cc1 ZINC000766761258 624232527 /nfs/dbraw/zinc/23/25/27/624232527.db2.gz DTKJIYLWOYJXFV-FLIBITNWSA-N -1 3 287.281 3.399 20 0 CGADHM Cc1ccc2c(c1)OCCN2C(=O)c1cccc(C)c1[O-] ZINC000154688285 624343806 /nfs/dbraw/zinc/34/38/06/624343806.db2.gz OIENDXNJEGQSMK-UHFFFAOYSA-N -1 3 283.327 3.048 20 0 CGADHM C[C@@H]([N-]C(=O)C(F)(F)c1ccc(F)cc1)c1ccccn1 ZINC000920841002 624547132 /nfs/dbraw/zinc/54/71/32/624547132.db2.gz YDSLDJXBDOLARW-SNVBAGLBSA-N -1 3 294.276 3.190 20 0 CGADHM CCc1ccc(-c2ccc(C(=O)[N-]c3nonc3C)o2)cc1 ZINC000175175753 624617884 /nfs/dbraw/zinc/61/78/84/624617884.db2.gz UCHNDMYDNYQBEN-UHFFFAOYSA-N -1 3 297.314 3.453 20 0 CGADHM O=C([O-])[C@H]1CN(C[C@H]2CC3CCC2CC3)Cc2ccccc21 ZINC000923254855 626140167 /nfs/dbraw/zinc/14/01/67/626140167.db2.gz FXVWZQXHSSPIGN-FLMHQWFMSA-N -1 3 299.414 3.497 20 0 CGADHM CC(C)[C@@H]1C[C@H]1NC(=O)c1cc2sccc2c([O-])c1 ZINC000838077394 626189961 /nfs/dbraw/zinc/18/99/61/626189961.db2.gz UISCTKYTIUOXSF-NWDGAFQWSA-N -1 3 275.373 3.381 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)OC[C@H]1CCC(F)(F)C1 ZINC000838144582 626196384 /nfs/dbraw/zinc/19/63/84/626196384.db2.gz JAKBXHNVKPXALS-JTQLQIEISA-N -1 3 288.265 3.052 20 0 CGADHM C/C(=C/c1ccccc1)CN(C)Cc1nc(C)cc(=O)[n-]1 ZINC000755193840 626605845 /nfs/dbraw/zinc/60/58/45/626605845.db2.gz HAXIEYWZLSMKQN-LCYFTJDESA-N -1 3 283.375 3.026 20 0 CGADHM O=C([O-])[C@H]1C[C@@H](NCc2ccc(F)c(Cl)c2Cl)C1 ZINC000874046292 634509619 /nfs/dbraw/zinc/50/96/19/634509619.db2.gz UASGRMVHOCKBEP-OCAPTIKFSA-N -1 3 292.137 3.085 20 0 CGADHM O=C([N-][C@H]1CCCc2occc21)C(F)(F)c1nccs1 ZINC000756435493 626705594 /nfs/dbraw/zinc/70/55/94/626705594.db2.gz BBIYPWGVUGQOPE-VIFPVBQESA-N -1 3 298.314 3.022 20 0 CGADHM CCc1csc(NCc2ccc([O-])c(F)c2)n1 ZINC000756967205 626744116 /nfs/dbraw/zinc/74/41/16/626744116.db2.gz SEBCXVWSVWBMMK-UHFFFAOYSA-N -1 3 252.314 3.162 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)C[C@H](c1ccc(O)cc1)C1CC1 ZINC000839777111 626787546 /nfs/dbraw/zinc/78/75/46/626787546.db2.gz QUEWRXVDJNHQNV-WBMJQRKESA-N -1 3 291.391 3.370 20 0 CGADHM CCCCCC[C@H](C)CC(=O)[N-]OCC(F)F ZINC000759330495 626887742 /nfs/dbraw/zinc/88/77/42/626887742.db2.gz HQZQGRJITCCKNF-JTQLQIEISA-N -1 3 251.317 3.296 20 0 CGADHM Cc1cc(=O)[n-]c(CSCc2ccccc2C)n1 ZINC000761852129 627067103 /nfs/dbraw/zinc/06/71/03/627067103.db2.gz IYZRCPQZLSIFCI-UHFFFAOYSA-N -1 3 260.362 3.232 20 0 CGADHM COc1ccc(C)cc1CSCc1nc(C)cc(=O)[n-]1 ZINC000761864913 627068771 /nfs/dbraw/zinc/06/87/71/627068771.db2.gz LJBMHDRHWRJOTF-UHFFFAOYSA-N -1 3 290.388 3.241 20 0 CGADHM Cc1cc(=O)[n-]c(CN2CC[C@@H](C)C[C@H]2c2ccco2)n1 ZINC000761887921 627072384 /nfs/dbraw/zinc/07/23/84/627072384.db2.gz RJDLNCKRZNBAGG-YPMHNXCESA-N -1 3 287.363 3.057 20 0 CGADHM Cc1cc(=O)[n-]c(CSCCOc2ccccc2C)n1 ZINC000763215484 627145342 /nfs/dbraw/zinc/14/53/42/627145342.db2.gz KHNLPPLEPXHDDV-UHFFFAOYSA-N -1 3 290.388 3.111 20 0 CGADHM C[C@H](CC(=O)[N-]Oc1ccccc1)c1ccccc1 ZINC000773470199 627887589 /nfs/dbraw/zinc/88/75/89/627887589.db2.gz NRGBCOGDVPEDPF-CYBMUJFWSA-N -1 3 255.317 3.290 20 0 CGADHM [O-]C(=NO[C@H]1CCCCO1)Nc1ccc(C2CC2)cc1 ZINC000775709900 628128632 /nfs/dbraw/zinc/12/86/32/628128632.db2.gz SQOWZUJOJMALAT-AWEZNQCLSA-N -1 3 276.336 3.144 20 0 CGADHM O=C([N-]O[C@H]1CCCCO1)Nc1ccc(C2CC2)cc1 ZINC000775709900 628128635 /nfs/dbraw/zinc/12/86/35/628128635.db2.gz SQOWZUJOJMALAT-AWEZNQCLSA-N -1 3 276.336 3.144 20 0 CGADHM c1ccc(-c2noc([N-]Cc3nc4c(s3)CCC4)n2)cc1 ZINC000777514699 628277280 /nfs/dbraw/zinc/27/72/80/628277280.db2.gz CRQLGLMLWAEPNX-UHFFFAOYSA-N -1 3 298.371 3.294 20 0 CGADHM COc1ccc(Cl)cc1CC(=O)[N-]OC1CCCCC1 ZINC000777960096 628314780 /nfs/dbraw/zinc/31/47/80/628314780.db2.gz POVOWTQZRJEFHU-UHFFFAOYSA-N -1 3 297.782 3.272 20 0 CGADHM C[C@H]1C[C@H](COC(=O)c2cc(Cl)c(Cl)[n-]2)CCO1 ZINC000778368731 628344683 /nfs/dbraw/zinc/34/46/83/628344683.db2.gz KIWCLYZOBAWXIN-JGVFFNPUSA-N -1 3 292.162 3.293 20 0 CGADHM COc1ccc2oc(C)c(C(=O)Nc3ncccc3[O-])c2c1 ZINC000783644861 628734867 /nfs/dbraw/zinc/73/48/67/628734867.db2.gz IYCNNHGCPKBHPP-UHFFFAOYSA-N -1 3 298.298 3.103 20 0 CGADHM CC(C)(C)OC(=O)CCCCOC(=O)c1ccc([O-])cc1 ZINC000784999731 628847349 /nfs/dbraw/zinc/84/73/49/628847349.db2.gz CCKUKUJGXCSZKB-UHFFFAOYSA-N -1 3 294.347 3.061 20 0 CGADHM O=C(OCC[C@H]1CCCO1)c1cc2sccc2c([O-])c1 ZINC000786140060 628916330 /nfs/dbraw/zinc/91/63/30/628916330.db2.gz NHMSUPBYGIAAKR-LLVKDONJSA-N -1 3 292.356 3.333 20 0 CGADHM CCc1cccc(CO[N-]C(=O)Cc2ccc(C)cc2)c1 ZINC000786741763 628960529 /nfs/dbraw/zinc/96/05/29/628960529.db2.gz HATGHJUFVGCJMI-UHFFFAOYSA-N -1 3 283.371 3.348 20 0 CGADHM C[C@@H](CNC(=O)c1cc([O-])c2ccccc2c1)C1CC1 ZINC000792083478 629336215 /nfs/dbraw/zinc/33/62/15/629336215.db2.gz ISRZACFKJMVDDS-NSHDSACASA-N -1 3 269.344 3.321 20 0 CGADHM O=C(NOC1CCCC1)c1cc([O-])c2ccccc2c1 ZINC000792305209 629355011 /nfs/dbraw/zinc/35/50/11/629355011.db2.gz VCDHOZJWZBMEAM-UHFFFAOYSA-N -1 3 271.316 3.149 20 0 CGADHM C[C@@H](OC(=O)c1ccc([O-])cc1)c1ccc(F)cc1 ZINC000021279490 634737329 /nfs/dbraw/zinc/73/73/29/634737329.db2.gz VREZEYZBCOBORQ-SNVBAGLBSA-N -1 3 260.264 3.449 20 0 CGADHM CCCc1cc(=O)[n-]c(C(=Cc2ccnc(F)c2)CC)n1 ZINC000863190262 629490518 /nfs/dbraw/zinc/49/05/18/629490518.db2.gz QDZZXEWTNAOCCO-WQLSENKSSA-N -1 3 287.338 3.207 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)CC(C)(C)c1ccccc1 ZINC000794840945 629586916 /nfs/dbraw/zinc/58/69/16/629586916.db2.gz BFAMVLZOKBECDE-CYBMUJFWSA-N -1 3 263.381 3.448 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)CCC(=O)c1cc(C)sc1C ZINC000794853537 629588727 /nfs/dbraw/zinc/58/87/27/629588727.db2.gz RPIVUGSVYZXTFU-JTQLQIEISA-N -1 3 297.420 3.422 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)CCC(=O)c1ccc(C)c(C)c1 ZINC000794853156 629588858 /nfs/dbraw/zinc/58/88/58/629588858.db2.gz LYFXPQRUEOYBME-LBPRGKRZSA-N -1 3 291.391 3.360 20 0 CGADHM CO[C@H]1CC[C@H](C)N(Cc2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC000864054024 629749552 /nfs/dbraw/zinc/74/95/52/629749552.db2.gz OAAKOEDJRHURON-JQWIXIFHSA-N -1 3 297.782 3.038 20 0 CGADHM CCCCc1nnc([N-]C(=O)c2ccc(C=O)s2)s1 ZINC000864969797 629972556 /nfs/dbraw/zinc/97/25/56/629972556.db2.gz WWWGNWPWIRNVPO-UHFFFAOYSA-N -1 3 295.389 3.007 20 0 CGADHM Cc1cc(C)c(CSCc2nc(C)cc(=O)[n-]2)c(C)n1 ZINC000865278426 630045851 /nfs/dbraw/zinc/04/58/51/630045851.db2.gz BFRQSSPDLRZMFF-UHFFFAOYSA-N -1 3 289.404 3.244 20 0 CGADHM CC1(c2nsc(NCc3c(F)ccc([O-])c3F)n2)CC1 ZINC000865293830 630057080 /nfs/dbraw/zinc/05/70/80/630057080.db2.gz YAUIQKSEGJRRFW-UHFFFAOYSA-N -1 3 297.330 3.186 20 0 CGADHM CCC[C@@H](C)CC(=O)[N-]OCc1ccccc1OC ZINC000799092039 630140632 /nfs/dbraw/zinc/14/06/32/630140632.db2.gz YUCGCCFPXKGICO-GFCCVEGCSA-N -1 3 265.353 3.069 20 0 CGADHM COc1ccccc1CO[N-]C(=O)C[C@@H](C)c1ccccc1 ZINC000799091981 630140992 /nfs/dbraw/zinc/14/09/92/630140992.db2.gz WCHRVRFHZSLZMX-CQSZACIVSA-N -1 3 299.370 3.437 20 0 CGADHM CS[C@@H]1CCN(C(=O)c2cc3sccc3c([O-])c2)C1 ZINC000836796926 634803804 /nfs/dbraw/zinc/80/38/04/634803804.db2.gz WBACUGAXAMSUQC-SNVBAGLBSA-N -1 3 293.413 3.184 20 0 CGADHM CCCCCC[C@](C)(CC)C(=O)[N-]OC(C)(C)CO ZINC000836804409 634805778 /nfs/dbraw/zinc/80/57/78/634805778.db2.gz YVTBZJJKWFPBGG-HNNXBMFYSA-N -1 3 273.417 3.192 20 0 CGADHM Cc1ccc(C(F)(F)C(=O)[N-][C@@H]2CCCC2(F)F)cc1 ZINC000807856779 630600864 /nfs/dbraw/zinc/60/08/64/630600864.db2.gz UYDUVXUJOHPLKH-LLVKDONJSA-N -1 3 289.272 3.391 20 0 CGADHM C[C@@H]([N-]C(=O)C(C)(F)F)c1cccc(OC(F)(F)F)c1 ZINC000808464852 630648842 /nfs/dbraw/zinc/64/88/42/630648842.db2.gz XSYJQPDVDNNDII-SSDOTTSWSA-N -1 3 297.223 3.418 20 0 CGADHM CCSCCSCc1cc(=O)[n-]c(C2CC2)n1 ZINC000840205711 630927671 /nfs/dbraw/zinc/92/76/71/630927671.db2.gz XGODDCLTKLIWNC-UHFFFAOYSA-N -1 3 270.423 3.046 20 0 CGADHM Cc1ncsc1COC(=O)c1cccc(Cl)c1[O-] ZINC000811172841 631038095 /nfs/dbraw/zinc/03/80/95/631038095.db2.gz NROFGAWFGLKWHA-UHFFFAOYSA-N -1 3 283.736 3.168 20 0 CGADHM CC(C)CC1(C(=O)[N-]OC/C=C\Cl)CCCC1 ZINC000812402440 631245767 /nfs/dbraw/zinc/24/57/67/631245767.db2.gz SRWLSFZPHDOLJM-YVMONPNESA-N -1 3 259.777 3.393 20 0 CGADHM COC(=O)c1cc(C(=O)O[C@H](C)c2ccccc2C)c[n-]1 ZINC000814531677 631601117 /nfs/dbraw/zinc/60/11/17/631601117.db2.gz ULZBVSGEWIZBGQ-LLVKDONJSA-N -1 3 287.315 3.028 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)CCc1ccc([C@@H]2C[C@H]2C)o1 ZINC000816975261 632065029 /nfs/dbraw/zinc/06/50/29/632065029.db2.gz DSFXXPLVKKVRJH-OUCADQQQSA-N -1 3 279.380 3.430 20 0 CGADHM C[C@H](Cn1ccc2ccccc21)C(=O)[N-]OCCC1CC1 ZINC000817383560 632135822 /nfs/dbraw/zinc/13/58/22/632135822.db2.gz OSMYPQWBAKOWCN-CYBMUJFWSA-N -1 3 286.375 3.125 20 0 CGADHM C[C@H]1C[C@H]1c1ccc(CCC(=O)[N-]OCCC2CC2)o1 ZINC000817387887 632136280 /nfs/dbraw/zinc/13/62/80/632136280.db2.gz ILVARAKXZAQCKH-SMDDNHRTSA-N -1 3 277.364 3.184 20 0 CGADHM O=C(CCCOc1ccc(Cl)cc1)[N-]OCCC1CC1 ZINC000817393261 632137586 /nfs/dbraw/zinc/13/75/86/632137586.db2.gz MCDIDGRQOYOBCU-UHFFFAOYSA-N -1 3 297.782 3.347 20 0 CGADHM CC(C)CC1(C(=O)[N-]OCCC2CC2)CCCC1 ZINC000817430190 632153866 /nfs/dbraw/zinc/15/38/66/632153866.db2.gz UKVPZAXNYIKJDX-UHFFFAOYSA-N -1 3 253.386 3.441 20 0 CGADHM C[C@@H]1CCN(C(=O)c2ccc(N)cc2[O-])[C@@H]2CCCC[C@H]12 ZINC000817920924 632234900 /nfs/dbraw/zinc/23/49/00/632234900.db2.gz YKLOJIDRLUUMRW-UXIGCNINSA-N -1 3 288.391 3.015 20 0 CGADHM CC(C)(CCc1ccccc1)NC(=O)c1ccc(N)cc1[O-] ZINC000817933346 632236560 /nfs/dbraw/zinc/23/65/60/632236560.db2.gz BCTSELYFXQOAAI-UHFFFAOYSA-N -1 3 298.386 3.116 20 0 CGADHM CC[C@@H](Cc1ccccc1)N(C)C(=O)c1ccc(N)cc1[O-] ZINC000817952293 632247817 /nfs/dbraw/zinc/24/78/17/632247817.db2.gz PCRNXOQBCHLSAI-HNNXBMFYSA-N -1 3 298.386 3.068 20 0 CGADHM CCCO[N-]C(=O)Cc1cccc(OCC=C(C)C)c1 ZINC000844090659 635819821 /nfs/dbraw/zinc/81/98/21/635819821.db2.gz XMCJDZOAZLSHFF-UHFFFAOYSA-N -1 3 277.364 3.032 20 0 CGADHM CC(C)=CCC[C@H](C)CC(=O)[N-]OCCOC(C)C ZINC000843895469 635793307 /nfs/dbraw/zinc/79/33/07/635793307.db2.gz VTPOFZPQKIGDNS-AWEZNQCLSA-N -1 3 271.401 3.232 20 0 CGADHM CCC1=C(C(=O)Nc2cccc(C(C)=O)c2[O-])CCCO1 ZINC000843889842 635793803 /nfs/dbraw/zinc/79/38/03/635793803.db2.gz QLDHCSCDQBXMAE-UHFFFAOYSA-N -1 3 289.331 3.008 20 0 CGADHM O=C(c1cc2sccc2c([O-])c1)N1CC(CC(F)F)C1 ZINC000819731408 632505455 /nfs/dbraw/zinc/50/54/55/632505455.db2.gz OUOBJSLWLHAJDN-UHFFFAOYSA-N -1 3 297.326 3.334 20 0 CGADHM CSc1ccc(CCC(=O)[N-]OCCC2CC2)cc1 ZINC000820485234 632636022 /nfs/dbraw/zinc/63/60/22/632636022.db2.gz YXPULXLAWWUJKX-UHFFFAOYSA-N -1 3 279.405 3.189 20 0 CGADHM O=C(Nc1c([O-])cccc1Cl)[C@H]1CC1(Cl)Cl ZINC000820511318 632640957 /nfs/dbraw/zinc/64/09/57/632640957.db2.gz ZDJWLEQHXVRQQV-RXMQYKEDSA-N -1 3 280.538 3.178 20 0 CGADHM CC1=C(C)C[C@](C)(C(=O)[N-]OCc2ccccn2)CC1 ZINC000822243147 632888786 /nfs/dbraw/zinc/88/87/86/632888786.db2.gz LIZNDDQUYSLVHQ-MRXNPFEDSA-N -1 3 274.364 3.156 20 0 CGADHM C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)Nc1c([O-])cccc1Cl ZINC000868565612 633337025 /nfs/dbraw/zinc/33/70/25/633337025.db2.gz BTCPCAYHVJLWGH-UTINFBMNSA-N -1 3 265.740 3.276 20 0 CGADHM CC/C(C)=C/C(=O)Nc1cc(Br)ccc1[O-] ZINC000827807784 633519882 /nfs/dbraw/zinc/51/98/82/633519882.db2.gz KBKDGRBHWJAOSX-SOFGYWHQSA-N -1 3 284.153 3.450 20 0 CGADHM CC[C@H](C)N(OC)C(=O)c1ccc(C(C)C)cc1[O-] ZINC000830474277 633865602 /nfs/dbraw/zinc/86/56/02/633865602.db2.gz LHKSQJHGUIRLLZ-NSHDSACASA-N -1 3 265.353 3.318 20 0 CGADHM CCn1ccnc1[C@@H](C)N[C@@H](C)c1cccc([O-])c1F ZINC000872076251 633999690 /nfs/dbraw/zinc/99/96/90/633999690.db2.gz KGYRSZOHDLTTDT-WDEREUQCSA-N -1 3 277.343 3.160 20 0 CGADHM CSc1ccc([O-])c(C(=O)N2CCCC23CCC3)c1 ZINC000834552755 634181317 /nfs/dbraw/zinc/18/13/17/634181317.db2.gz URGUQBLPNXFCBT-UHFFFAOYSA-N -1 3 277.389 3.273 20 0 CGADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H]3CC34CCC4)nc2)n1 ZINC000872775714 634206097 /nfs/dbraw/zinc/20/60/97/634206097.db2.gz XJUKBBDUNNVBIV-ZDUSSCGKSA-N -1 3 296.374 3.161 20 0 CGADHM C[C@H]1CC[C@@](C)(C(=O)[N-]OCC(F)(F)F)C1(C)C ZINC000837478847 634916970 /nfs/dbraw/zinc/91/69/70/634916970.db2.gz ROIHRCKGLJKMTD-KWQFWETISA-N -1 3 267.291 3.059 20 0 CGADHM O=C(OCC1CC(F)(F)C1)c1cccc(Cl)c1[O-] ZINC000837615798 634950106 /nfs/dbraw/zinc/95/01/06/634950106.db2.gz DASQFMAJWIYSJN-UHFFFAOYSA-N -1 3 276.666 3.248 20 0 CGADHM CC1(C)[C@@H](C[N-]C(=O)C(F)(F)F)[C@@H]1c1ccccc1 ZINC000837868365 635001847 /nfs/dbraw/zinc/00/18/47/635001847.db2.gz OCAAQTPGQYTUBR-QWRGUYRKSA-N -1 3 271.282 3.105 20 0 CGADHM O=C1N[C@@H](c2ccc([O-])cc2F)Nc2ccc(Cl)cc21 ZINC000877849719 635240372 /nfs/dbraw/zinc/24/03/72/635240372.db2.gz GGIPTZMHKYYWSK-ZDUSSCGKSA-N -1 3 292.697 3.039 20 0 CGADHM Cc1ccc(CC(=O)[N-]OCC2CCC(F)(F)CC2)cc1 ZINC000842026036 635257362 /nfs/dbraw/zinc/25/73/62/635257362.db2.gz DDHHBJKYLHHABI-UHFFFAOYSA-N -1 3 297.345 3.411 20 0 CGADHM CC(C)(C)CC(=O)[N-]OCc1coc(-c2ccccc2)n1 ZINC000842060149 635269571 /nfs/dbraw/zinc/26/95/71/635269571.db2.gz GOKSQTZNZSZGAO-UHFFFAOYSA-N -1 3 288.347 3.326 20 0 CGADHM CC(C)(C)CC(=O)[N-]OCCCc1ccsc1 ZINC000842060980 635271021 /nfs/dbraw/zinc/27/10/21/635271021.db2.gz FLYJSCBEWDJFRU-UHFFFAOYSA-N -1 3 255.383 3.165 20 0 CGADHM CCCO[N-]C(=O)CCSc1cccc(Cl)c1 ZINC000844088139 635819719 /nfs/dbraw/zinc/81/97/19/635819719.db2.gz JQFSRTFVRSFDSZ-UHFFFAOYSA-N -1 3 273.785 3.280 20 0 CGADHM Cc1cc(C)c(/C=C/C(=O)[N-]O[C@@H]2CCCCO2)cc1C ZINC000128138018 635900596 /nfs/dbraw/zinc/90/05/96/635900596.db2.gz QQHUOKYAFOIWAH-IWAYRVGRSA-N -1 3 289.375 3.199 20 0 CGADHM CC[C@@H](C(=O)[O-])N(C)Cc1cc2ccccc2nc1Cl ZINC000844839188 635973196 /nfs/dbraw/zinc/97/31/96/635973196.db2.gz JYVBIUXYUUASRA-ZDUSSCGKSA-N -1 3 292.766 3.183 20 0 CGADHM O=C(Nc1ccc([O-])c(Cl)c1)c1cccc2c[nH]nc21 ZINC000129533600 636296330 /nfs/dbraw/zinc/29/63/30/636296330.db2.gz ZORJETKSLZAPHC-UHFFFAOYSA-N -1 3 287.706 3.174 20 0 CGADHM O=C(Nc1ccc([O-])c(Cl)c1)c1cccc2cn[nH]c21 ZINC000129533600 636296335 /nfs/dbraw/zinc/29/63/35/636296335.db2.gz ZORJETKSLZAPHC-UHFFFAOYSA-N -1 3 287.706 3.174 20 0 CGADHM Cc1cccc(C(=O)Nc2nc(C(C)(C)C)co2)c1[O-] ZINC000847098451 636336221 /nfs/dbraw/zinc/33/62/21/636336221.db2.gz AZRDAAKTXLVTIU-UHFFFAOYSA-N -1 3 274.320 3.238 20 0 CGADHM O=C(CCCc1ccc(F)cc1)[N-]OC1CCCC1 ZINC000847661996 636415078 /nfs/dbraw/zinc/41/50/78/636415078.db2.gz ILBFRMIZTQWTBL-UHFFFAOYSA-N -1 3 265.328 3.139 20 0 CGADHM CSCCO[N-]C(=O)CCC1CCCCCC1 ZINC000848021445 636521279 /nfs/dbraw/zinc/52/12/79/636521279.db2.gz VYLAXOGPCJNUSS-UHFFFAOYSA-N -1 3 259.415 3.148 20 0 CGADHM O=C(Nc1c([O-])cccc1Cl)C1(F)CCCC1 ZINC000848140438 636533972 /nfs/dbraw/zinc/53/39/72/636533972.db2.gz QWSBNRJADYFAQZ-UHFFFAOYSA-N -1 3 257.692 3.266 20 0 CGADHM O=C(OCc1ccc(Cl)nc1Cl)c1ccc([O-])cc1 ZINC000800085386 636924444 /nfs/dbraw/zinc/92/44/44/636924444.db2.gz BTRFKVYMYIEQOK-UHFFFAOYSA-N -1 3 298.125 3.451 20 0 CGADHM CC(C)CC1(C(=O)[N-]OCC(F)(F)F)CCCC1 ZINC000135203432 637097191 /nfs/dbraw/zinc/09/71/91/637097191.db2.gz JLOSVCUPFPZVIT-UHFFFAOYSA-N -1 3 267.291 3.203 20 0 CGADHM CC(C)CO[N-]C(=O)CCSc1ccccc1F ZINC000135332621 637118301 /nfs/dbraw/zinc/11/83/01/637118301.db2.gz HAHUYLYRLBGPIP-UHFFFAOYSA-N -1 3 271.357 3.012 20 0 CGADHM Nc1ccc(C(=O)NC2CCC(C3CCC3)CC2)c([O-])c1 ZINC000852870504 637718811 /nfs/dbraw/zinc/71/88/11/637718811.db2.gz CUUUOLWRSCFCFM-UHFFFAOYSA-N -1 3 288.391 3.063 20 0 CGADHM O=C(CCCc1ccccc1)[N-]OC[C@@H]1C[C@H]2C[C@H]2C1 ZINC000853663899 637886092 /nfs/dbraw/zinc/88/60/92/637886092.db2.gz LTVWVDGKTSSFCE-MUJYYYPQSA-N -1 3 273.376 3.103 20 0 CGADHM O=C(CCC1CCCCC1)[N-]OCc1cc(C2CC2)no1 ZINC000853665839 637886925 /nfs/dbraw/zinc/88/69/25/637886925.db2.gz VJNKLHMQLZRMMP-UHFFFAOYSA-N -1 3 292.379 3.460 20 0 CGADHM CC[C@@H](CO[N-]C(=O)CC(C)(C)C)CC(F)F ZINC000853705777 637896724 /nfs/dbraw/zinc/89/67/24/637896724.db2.gz DDHXPQPTVIJMHJ-SECBINFHSA-N -1 3 251.317 3.152 20 0 CGADHM CC(C)(C)Oc1ccc(-c2ccc(=O)[n-]c2F)cn1 ZINC000854190029 638012942 /nfs/dbraw/zinc/01/29/42/638012942.db2.gz UIYSNQDJMFROAG-UHFFFAOYSA-N -1 3 262.284 3.166 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)CCC(=O)c1c(F)cccc1F ZINC000854601714 638076851 /nfs/dbraw/zinc/07/68/51/638076851.db2.gz FBHAAOFFUSBCHG-JTQLQIEISA-N -1 3 299.317 3.022 20 0 CGADHM O=C(OCCC1CC1)c1cccc2[n-]c(C(F)F)nc21 ZINC000924085705 638296427 /nfs/dbraw/zinc/29/64/27/638296427.db2.gz PBNZZYVZDWVTJC-UHFFFAOYSA-N -1 3 280.274 3.457 20 0 CGADHM CC[C@@H](OC(=O)c1cccc2[n-]c(C(F)F)nc21)C(C)=O ZINC000924085388 638297451 /nfs/dbraw/zinc/29/74/51/638297451.db2.gz CVPSYWSHFYOXBQ-SNVBAGLBSA-N -1 3 296.273 3.025 20 0 CGADHM O=C(CCc1ccc(Cl)s1)[N-]OCC1CCC1 ZINC000856345097 638345756 /nfs/dbraw/zinc/34/57/56/638345756.db2.gz FVMUVSOLSHRZGT-UHFFFAOYSA-N -1 3 273.785 3.182 20 0 CGADHM O=C(Cc1ccc(C(F)(F)F)cc1)[N-]OCC1CCC1 ZINC000856344371 638346323 /nfs/dbraw/zinc/34/63/23/638346323.db2.gz JBFNXYHPVBROTO-UHFFFAOYSA-N -1 3 287.281 3.096 20 0 CGADHM O=C(C[C@H]1CCCc2ccccc21)[N-]OCC1CCC1 ZINC000856346940 638347190 /nfs/dbraw/zinc/34/71/90/638347190.db2.gz AHEUFBVFMRFUHM-OAHLLOKOSA-N -1 3 273.376 3.345 20 0 CGADHM O=C(CCCCCc1ccc(O)cc1)[N-]OCC1CCC1 ZINC000857339851 638495558 /nfs/dbraw/zinc/49/55/58/638495558.db2.gz WEFYHJJBXQLVJE-UHFFFAOYSA-N -1 3 291.391 3.343 20 0 CGADHM C[C@H](NCc1nnc(C2CC2)s1)c1cc([O-])cc(F)c1 ZINC000926597011 638789709 /nfs/dbraw/zinc/78/97/09/638789709.db2.gz ZAJLIWIVMJUZJZ-QMMMGPOBSA-N -1 3 293.367 3.111 20 0 CGADHM COc1ccccc1CO[N-]C(=O)C[C@@H](C)c1ccco1 ZINC000861520566 639592503 /nfs/dbraw/zinc/59/25/03/639592503.db2.gz FDWKHDCAEZUTJZ-GFCCVEGCSA-N -1 3 289.331 3.030 20 0 CGADHM O=C(Cc1ccc(SC2CC2)cc1)[N-]OC/C=C\Cl ZINC000936057466 639890484 /nfs/dbraw/zinc/89/04/84/639890484.db2.gz AQYSLQIYIBJBQU-QPIMQUGISA-N -1 3 297.807 3.284 20 0 CGADHM Cc1ccc(C(N)=O)cc1NCc1c([O-])cccc1Cl ZINC000160030327 640085411 /nfs/dbraw/zinc/08/54/11/640085411.db2.gz CUIVXLLTHHKFKY-UHFFFAOYSA-N -1 3 290.750 3.065 20 0 CGADHM Cc1nc2cc(F)ccc2cc1C(=O)Nc1cncc([O-])c1 ZINC001155894249 805623719 /nfs/dbraw/zinc/62/37/19/805623719.db2.gz XKAYBRLYBPCHGG-UHFFFAOYSA-N -1 3 297.289 3.035 20 0 CGADHM O=C(Nc1cc([O-])cc(Cl)c1)c1cccc2cncnc21 ZINC001156616921 805719720 /nfs/dbraw/zinc/71/97/20/805719720.db2.gz PWVRHNPBVDNEDS-UHFFFAOYSA-N -1 3 299.717 3.241 20 0 CGADHM Cc1ccc2cc(C(=O)Nc3ncccc3[O-])cc(C)c2n1 ZINC001156641504 805720954 /nfs/dbraw/zinc/72/09/54/805720954.db2.gz HMERTAZZSDXUFT-UHFFFAOYSA-N -1 3 293.326 3.205 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-]c2ncc(C)cc2Cl)cc1 ZINC001252102244 805996134 /nfs/dbraw/zinc/99/61/34/805996134.db2.gz JYJSZWQGJSULOI-UHFFFAOYSA-N -1 3 296.779 3.153 20 0 CGADHM CC(=O)c1cc(-c2nnc(-c3ccc(F)cc3)o2)ccc1[O-] ZINC001252163872 806026313 /nfs/dbraw/zinc/02/63/13/806026313.db2.gz UAMYMNGQTBQDBW-UHFFFAOYSA-N -1 3 298.273 3.451 20 0 CGADHM CC(C)S(=O)(=O)[N-]c1ccccc1Oc1cccnc1 ZINC001252513318 806053685 /nfs/dbraw/zinc/05/36/85/806053685.db2.gz BNWSAPZGORSLMF-UHFFFAOYSA-N -1 3 292.360 3.024 20 0 CGADHM Cc1cccc([O-])c1C(=O)N(C)Cc1c(F)cccc1F ZINC001159831275 806182882 /nfs/dbraw/zinc/18/28/82/806182882.db2.gz SMPXXLOMOKPTMT-UHFFFAOYSA-N -1 3 291.297 3.251 20 0 CGADHM CCCCC[C@@H](O)CNc1cccc([O-])c1Cl ZINC001253539554 806241446 /nfs/dbraw/zinc/24/14/46/806241446.db2.gz PZTZBYDFGWAFKE-SNVBAGLBSA-N -1 3 257.761 3.399 20 0 CGADHM CCC[C@H](C)NC(F)(F)c1cc(Cl)nc(=S)[n-]1 ZINC001161716719 806430631 /nfs/dbraw/zinc/43/06/31/806430631.db2.gz KCOPXYLYIXDWGJ-LURJTMIESA-N -1 3 281.759 3.246 20 0 CGADHM [O-]c1cncc(-c2nnc([C@@H]3C[C@@H]3c3ccccc3)o2)c1 ZINC001254627294 806462780 /nfs/dbraw/zinc/46/27/80/806462780.db2.gz DESZKZITICZHAD-ZIAGYGMSSA-N -1 3 279.299 3.108 20 0 CGADHM O=c1[n-]c(-c2nnc([C@H]3C[C@H]3c3ccccc3)o2)ccc1F ZINC001254654499 806475314 /nfs/dbraw/zinc/47/53/14/806475314.db2.gz PSQRWZIKEOINKV-QWRGUYRKSA-N -1 3 297.289 3.247 20 0 CGADHM CC(=O)c1cc(-c2nnc(-c3ccc(C(C)C)cc3)o2)[n-]n1 ZINC001254823954 806491850 /nfs/dbraw/zinc/49/18/50/806491850.db2.gz KCYFSVBIDDRQBK-UHFFFAOYSA-N -1 3 296.330 3.453 20 0 CGADHM O=C1[N-]C(=O)C(=Cc2ccc(-c3ccccc3F)o2)S1 ZINC000036764816 798851475 /nfs/dbraw/zinc/85/14/75/798851475.db2.gz MXGFJLBMPZXDJO-KPKJPENVSA-N -1 3 289.287 3.410 20 0 CGADHM [O-]c1c(F)cc(CN2CCC3(CCCC3)C2)cc1F ZINC000093336706 798964171 /nfs/dbraw/zinc/96/41/71/798964171.db2.gz MKKUMALKAFTLGM-UHFFFAOYSA-N -1 3 267.319 3.437 20 0 CGADHM CCOc1ccc(OCCCC(=O)[N-]OC(C)(C)C)cc1 ZINC000126088490 799005040 /nfs/dbraw/zinc/00/50/40/799005040.db2.gz XPGXQIPNZMDQQY-UHFFFAOYSA-N -1 3 295.379 3.091 20 0 CGADHM Cc1cccc(NS(=O)(=O)c2ccc([O-])cc2)c1Cl ZINC000311509936 799224530 /nfs/dbraw/zinc/22/45/30/799224530.db2.gz BOAZQVKDPLNGFU-UHFFFAOYSA-N -1 3 297.763 3.155 20 0 CGADHM [O-]c1cncc(-c2nc(-c3ccc4ccccc4n3)no2)c1 ZINC000316368586 799240771 /nfs/dbraw/zinc/24/07/71/799240771.db2.gz UXWBYMIPHMSNNL-UHFFFAOYSA-N -1 3 290.282 3.052 20 0 CGADHM O=C(Nc1ccc(Cl)cc1[O-])c1csc2cncn21 ZINC000339007205 799279387 /nfs/dbraw/zinc/27/93/87/799279387.db2.gz NXRVBHXIQILXTJ-UHFFFAOYSA-N -1 3 293.735 3.007 20 0 CGADHM C[C@@H](CCC(C)(C)C)NC(=O)c1cc2c(cc1[O-])OCO2 ZINC000436874381 799612365 /nfs/dbraw/zinc/61/23/65/799612365.db2.gz PYWSBEFTWRILOZ-JTQLQIEISA-N -1 3 293.363 3.066 20 0 CGADHM C[C@@]1(C(F)(F)F)CCN(Cc2ccsc2C(=O)[O-])C1 ZINC000708930579 800000731 /nfs/dbraw/zinc/00/07/31/800000731.db2.gz XHNCROWUSZRVJJ-LLVKDONJSA-N -1 3 293.310 3.221 20 0 CGADHM O=c1[n-]c(NCCc2cccc(O)c2)c(Cl)cc1Cl ZINC001163695088 806800148 /nfs/dbraw/zinc/80/01/48/806800148.db2.gz VLMRJGCNDRWFDV-UHFFFAOYSA-N -1 3 299.157 3.454 20 0 CGADHM O=C(N[C@@H]1C[C@@H]2CCCC[C@H]12)c1cc([O-])ccc1Cl ZINC000712573586 800094553 /nfs/dbraw/zinc/09/45/53/800094553.db2.gz WRMCWULQFBEUSQ-NURSFMCSSA-N -1 3 279.767 3.354 20 0 CGADHM COc1cccc2[nH]c(-c3ccc([O-])cc3F)nc21 ZINC000721261815 800284248 /nfs/dbraw/zinc/28/42/48/800284248.db2.gz LZHKOURKYDGNNV-UHFFFAOYSA-N -1 3 258.252 3.083 20 0 CGADHM C[C@@H]1CN(Cc2cccc(Cl)c2F)C[C@H]1CC(=O)[O-] ZINC000722604773 800323514 /nfs/dbraw/zinc/32/35/14/800323514.db2.gz USRWYHBYMDXJQK-MWLCHTKSSA-N -1 3 285.746 3.022 20 0 CGADHM Cc1ccc(-c2nnc(-c3ccc([O-])cn3)o2)cc1C ZINC001256531999 806910984 /nfs/dbraw/zinc/91/09/84/806910984.db2.gz WZGCITMVGLHRLH-UHFFFAOYSA-N -1 3 267.288 3.121 20 0 CGADHM COc1ccc2ncc([O-])c(-c3nnc([C@H]4C[C@@H]4C)o3)c2c1 ZINC001256645668 806938394 /nfs/dbraw/zinc/93/83/94/806938394.db2.gz JNSMMHKESWKQQE-WPRPVWTQSA-N -1 3 297.314 3.122 20 0 CGADHM COc1ccc(Cn2cc([N-]c3nc(C)co3)c(C)n2)cc1 ZINC001174576783 809090885 /nfs/dbraw/zinc/09/08/85/809090885.db2.gz NAKAIGKTIQWQPV-UHFFFAOYSA-N -1 3 298.346 3.288 20 0 CGADHM Cc1cc(=O)[n-]c(C(C)(C)NCc2cccc3ccoc32)n1 ZINC001118941935 802620161 /nfs/dbraw/zinc/62/01/61/802620161.db2.gz MGNYQDMCMTTXJI-UHFFFAOYSA-N -1 3 297.358 3.262 20 0 CGADHM CC(C)CCn1ccc(NCc2ccc([O-])c(F)c2)n1 ZINC001120034658 802727486 /nfs/dbraw/zinc/72/74/86/802727486.db2.gz GHVSJRZIBAXTAN-UHFFFAOYSA-N -1 3 277.343 3.386 20 0 CGADHM CCc1cccc(C(=O)N2CC[C@@H]2C(C)(C)C)c1[O-] ZINC001120765385 802774866 /nfs/dbraw/zinc/77/48/66/802774866.db2.gz LSFFVFYTUZQHQQ-CYBMUJFWSA-N -1 3 261.365 3.215 20 0 CGADHM CCCOCc1nc2cc(-c3ccccc3)oc2c(=O)[n-]1 ZINC001120772754 802775467 /nfs/dbraw/zinc/77/54/67/802775467.db2.gz NBKLVHGBYGFFGO-UHFFFAOYSA-N -1 3 284.315 3.110 20 0 CGADHM O=C(O[C@H]1C=CCC1)c1cccc2[n-]c(C(F)F)nc21 ZINC001122798111 802886730 /nfs/dbraw/zinc/88/67/30/802886730.db2.gz LSXAGGBPPIIGMH-QMMMGPOBSA-N -1 3 278.258 3.376 20 0 CGADHM CC(F)(F)COC(=O)c1cccc2[n-]c(C(F)F)nc21 ZINC001123140360 802914069 /nfs/dbraw/zinc/91/40/69/802914069.db2.gz RYBNDMDMFHLYJB-UHFFFAOYSA-N -1 3 290.216 3.313 20 0 CGADHM CCC[C@@H]1CCCN1C(=O)NCc1ccc([O-])c(F)c1 ZINC001123603536 802956814 /nfs/dbraw/zinc/95/68/14/802956814.db2.gz ALSBMXBDCOBFFY-GFCCVEGCSA-N -1 3 280.343 3.005 20 0 CGADHM CC1(C)C2CCC1(C(=O)NCc1ccc([O-])c(F)c1)CC2 ZINC001123768672 802969713 /nfs/dbraw/zinc/96/97/13/802969713.db2.gz CMGSJFXAZVZSJY-UHFFFAOYSA-N -1 3 291.366 3.364 20 0 CGADHM COc1cc(C)nc(-c2ccc([O-])cc2C(F)(F)F)n1 ZINC001205073691 812848874 /nfs/dbraw/zinc/84/88/74/812848874.db2.gz YMVSGSYRROKITC-UHFFFAOYSA-N -1 3 284.237 3.185 20 0 CGADHM COc1cc(C)cc([N-]c2nnc(C(C)(C)C)o2)c1 ZINC001211721816 814936858 /nfs/dbraw/zinc/93/68/58/814936858.db2.gz VKDAWSIXSJVZQH-UHFFFAOYSA-N -1 3 261.325 3.428 20 0 CGADHM CCOC(=O)c1cc(-c2c([O-])cccc2Cl)cnc1F ZINC001244048957 803160863 /nfs/dbraw/zinc/16/08/63/803160863.db2.gz ZGPJVRDYEZCSHK-UHFFFAOYSA-N -1 3 295.697 3.423 20 0 CGADHM CC(C)c1ccc(N)c(-c2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC001244226881 803248329 /nfs/dbraw/zinc/24/83/29/803248329.db2.gz UCLXXHJERZDRCK-UHFFFAOYSA-N -1 3 297.337 3.378 20 0 CGADHM CC(C)c1ccc(N)c(-c2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC001244226881 803248334 /nfs/dbraw/zinc/24/83/34/803248334.db2.gz UCLXXHJERZDRCK-UHFFFAOYSA-N -1 3 297.337 3.378 20 0 CGADHM Clc1ccc(-c2ccccc2-c2nnn[n-]2)c2n[nH]cc21 ZINC001244389379 803338306 /nfs/dbraw/zinc/33/83/06/803338306.db2.gz SNIMSXXQVUUFAV-UHFFFAOYSA-N -1 3 296.721 3.063 20 0 CGADHM Clc1ccc(-c2ccccc2-c2nn[n-]n2)c2n[nH]cc21 ZINC001244389379 803338313 /nfs/dbraw/zinc/33/83/13/803338313.db2.gz SNIMSXXQVUUFAV-UHFFFAOYSA-N -1 3 296.721 3.063 20 0 CGADHM Cc1ccc(-c2cc(C(F)(F)F)[n-]c(=S)n2)c(N)c1 ZINC001244390398 803339252 /nfs/dbraw/zinc/33/92/52/803339252.db2.gz CQJBHRCOHPWAFU-UHFFFAOYSA-N -1 3 285.294 3.342 20 0 CGADHM [O-]c1ccc(OC(F)(F)F)cc1-c1ncnc2cc[nH]c21 ZINC001244457389 803379711 /nfs/dbraw/zinc/37/97/11/803379711.db2.gz VPAAMRDHNFHRQT-UHFFFAOYSA-N -1 3 295.220 3.229 20 0 CGADHM CCc1cncnc1-c1cc(OC(F)(F)F)ccc1[O-] ZINC001244457336 803380283 /nfs/dbraw/zinc/38/02/83/803380283.db2.gz ZWEVXCKOTLFJGC-UHFFFAOYSA-N -1 3 284.237 3.310 20 0 CGADHM [O-]c1cc(OC(F)(F)F)ccc1-c1nccs1 ZINC001244464000 803381343 /nfs/dbraw/zinc/38/13/43/803381343.db2.gz FESDZZNQLQABAP-UHFFFAOYSA-N -1 3 261.224 3.414 20 0 CGADHM COC(=O)c1ccc(N)c(-c2ccc(Cl)cc2[O-])c1 ZINC001244469587 803385771 /nfs/dbraw/zinc/38/57/71/803385771.db2.gz OHIXZJBLIVIUII-UHFFFAOYSA-N -1 3 277.707 3.081 20 0 CGADHM O=C1NCc2ccc(-c3ccc(Cl)cc3[O-])cc2N1 ZINC001244471037 803387761 /nfs/dbraw/zinc/38/77/61/803387761.db2.gz APVHVYBZIUTWDL-UHFFFAOYSA-N -1 3 274.707 3.348 20 0 CGADHM Oc1cc(Cl)ccc1-c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001244473023 803389101 /nfs/dbraw/zinc/38/91/01/803389101.db2.gz PZEMCFVWZNIVON-UHFFFAOYSA-N -1 3 290.685 3.032 20 0 CGADHM COc1nc(OC)c(-c2ccc(Cl)cc2[O-])cc1C ZINC001244472128 803389414 /nfs/dbraw/zinc/38/94/14/803389414.db2.gz KSVMPYIGRZTWHQ-UHFFFAOYSA-N -1 3 279.723 3.433 20 0 CGADHM CSc1nc2[nH]ccc2c(-c2cc(C)c(F)c([O-])c2)n1 ZINC001244496344 803403869 /nfs/dbraw/zinc/40/38/69/803403869.db2.gz QUAMUWIZMHHGJP-UHFFFAOYSA-N -1 3 289.335 3.452 20 0 CGADHM Cc1cc(-c2ncnc(-c3cccc(F)c3)n2)cc([O-])c1F ZINC001244508320 803411240 /nfs/dbraw/zinc/41/12/40/803411240.db2.gz QYTUHNDCBJNHPA-UHFFFAOYSA-N -1 3 299.280 3.498 20 0 CGADHM Cc1cc(-c2cncc(OC(C)C)n2)cc([O-])c1F ZINC001244507545 803411774 /nfs/dbraw/zinc/41/17/74/803411774.db2.gz LXUCGNJHASRQOR-UHFFFAOYSA-N -1 3 262.284 3.084 20 0 CGADHM COC(=O)c1ccc(-c2cc(C)c(F)c([O-])c2)cc1 ZINC001244515268 803413756 /nfs/dbraw/zinc/41/37/56/803413756.db2.gz IAHKRQAJGXEOJK-UHFFFAOYSA-N -1 3 260.264 3.293 20 0 CGADHM COc1ncnc2ccc(-c3cc(C)c(F)c([O-])c3)cc21 ZINC001244516673 803414340 /nfs/dbraw/zinc/41/43/40/803414340.db2.gz AYNNQRMZRWNBSA-UHFFFAOYSA-N -1 3 284.290 3.459 20 0 CGADHM COC(=O)c1ccc(OC)c(-c2cc(C)c(F)c([O-])c2)c1 ZINC001244519941 803414953 /nfs/dbraw/zinc/41/49/53/803414953.db2.gz HHMMMCTXZRJEAG-UHFFFAOYSA-N -1 3 290.290 3.302 20 0 CGADHM Cc1cc(-c2cnc3ncccc3c2)cc([O-])c1F ZINC001244520231 803415199 /nfs/dbraw/zinc/41/51/99/803415199.db2.gz LVPWUGRPEHUDSW-UHFFFAOYSA-N -1 3 254.264 3.450 20 0 CGADHM Cc1cc(-c2ccn(CC(C)C)c(=O)c2)cc([O-])c1F ZINC001244524616 803417761 /nfs/dbraw/zinc/41/77/61/803417761.db2.gz FIKNCCHAEQAMON-UHFFFAOYSA-N -1 3 275.323 3.324 20 0 CGADHM Cc1cc(-c2ccc3nc(C(N)=O)ccc3c2)cc([O-])c1F ZINC001244529559 803422070 /nfs/dbraw/zinc/42/20/70/803422070.db2.gz BQUCFAQGFNUFAX-UHFFFAOYSA-N -1 3 296.301 3.154 20 0 CGADHM Cc1cc(-c2ccc3nncn3c2)cc(Cl)c1[O-] ZINC001244537015 803424098 /nfs/dbraw/zinc/42/40/98/803424098.db2.gz FFLNHTAVRSEVDQ-UHFFFAOYSA-N -1 3 259.696 3.064 20 0 CGADHM Cc1cc(-c2ccc(C(=O)N(C)C)nc2)cc(Cl)c1[O-] ZINC001244554838 803435998 /nfs/dbraw/zinc/43/59/98/803435998.db2.gz PDXHPSMDJFPBKW-UHFFFAOYSA-N -1 3 290.750 3.118 20 0 CGADHM CSc1cccc(NC(=O)Cc2ccc([O-])c(F)c2)c1 ZINC001135607676 803606749 /nfs/dbraw/zinc/60/67/49/803606749.db2.gz QIAJIDDTNGACQL-UHFFFAOYSA-N -1 3 291.347 3.434 20 0 CGADHM CSc1nc(-c2ccc([O-])cc2Cl)ncc1F ZINC001245077632 803633732 /nfs/dbraw/zinc/63/37/32/803633732.db2.gz FUEMRZWVSPWQOX-UHFFFAOYSA-N -1 3 270.716 3.364 20 0 CGADHM Cc1ccccc1OCCCNC(=O)c1c(C)cccc1[O-] ZINC001136720962 803651065 /nfs/dbraw/zinc/65/10/65/803651065.db2.gz ISYKDIJZGOUXEQ-UHFFFAOYSA-N -1 3 299.370 3.208 20 0 CGADHM Cc1ncccc1/C=C/C(=O)Nc1cc(Cl)ccc1[O-] ZINC001137702281 803760238 /nfs/dbraw/zinc/76/02/38/803760238.db2.gz VLBSGHNKGMKZKA-QPJJXVBHSA-N -1 3 288.734 3.401 20 0 CGADHM COc1ccc(O)c(Nc2ccc([O-])c(F)c2F)c1 ZINC001212008741 814965914 /nfs/dbraw/zinc/96/59/14/814965914.db2.gz ASFFUHXQKGBXSS-UHFFFAOYSA-N -1 3 267.231 3.128 20 0 CGADHM [O-]c1ccc(Nc2cccc(C3OCCO3)c2)c(F)c1F ZINC001212009101 814966737 /nfs/dbraw/zinc/96/67/37/814966737.db2.gz JPCLNGPAPCUWSE-UHFFFAOYSA-N -1 3 293.269 3.459 20 0 CGADHM COC(=O)c1c(F)cccc1Nc1ccc([O-])c(F)c1F ZINC001212008893 814966765 /nfs/dbraw/zinc/96/67/65/814966765.db2.gz GQYGGSYYBVJNIL-UHFFFAOYSA-N -1 3 297.232 3.340 20 0 CGADHM COc1cc(N)ccc1Nc1ccc([O-])c(F)c1F ZINC001212010954 814966774 /nfs/dbraw/zinc/96/67/74/814966774.db2.gz JQVPZSLBTPDKFV-UHFFFAOYSA-N -1 3 266.247 3.005 20 0 CGADHM Cc1cc(O)cc(Nc2ccc([O-])c(F)c2F)c1 ZINC001212011094 814967060 /nfs/dbraw/zinc/96/70/60/814967060.db2.gz QSRJKGDAXOYVHW-UHFFFAOYSA-N -1 3 251.232 3.428 20 0 CGADHM COc1c(O)cccc1Nc1ccc([O-])c(F)c1F ZINC001212016288 814967996 /nfs/dbraw/zinc/96/79/96/814967996.db2.gz IMMBCHOTSRTZMB-UHFFFAOYSA-N -1 3 267.231 3.128 20 0 CGADHM O=C1CCc2cccc(Nc3ccc([O-])c(F)c3F)c2N1 ZINC001212016261 814968136 /nfs/dbraw/zinc/96/81/36/814968136.db2.gz HCQCMEJBSXPNAN-UHFFFAOYSA-N -1 3 290.269 3.299 20 0 CGADHM Fc1ccc2cc(-c3ccc(-c4nnn[n-]4)c(F)c3)[nH]c2c1 ZINC001245590135 803837583 /nfs/dbraw/zinc/83/75/83/803837583.db2.gz GWKBHVPFIAKICD-UHFFFAOYSA-N -1 3 297.268 3.293 20 0 CGADHM Fc1ccc2cc(-c3ccc(-c4nn[n-]n4)c(F)c3)[nH]c2c1 ZINC001245590135 803837593 /nfs/dbraw/zinc/83/75/93/803837593.db2.gz GWKBHVPFIAKICD-UHFFFAOYSA-N -1 3 297.268 3.293 20 0 CGADHM CC1(C)NC(=O)Cc2cc(-c3c([O-])cccc3F)ccc21 ZINC001245654065 803885500 /nfs/dbraw/zinc/88/55/00/803885500.db2.gz JHLBYJDQQCTISQ-UHFFFAOYSA-N -1 3 285.318 3.106 20 0 CGADHM COC(=O)c1c(C)c(OC)ccc1-c1c([O-])cccc1F ZINC001245654914 803887210 /nfs/dbraw/zinc/88/72/10/803887210.db2.gz HBVOQLDZIPBAOX-UHFFFAOYSA-N -1 3 290.290 3.302 20 0 CGADHM CCOC(=O)c1ccc(OC)cc1-c1c([O-])cccc1F ZINC001245656010 803888558 /nfs/dbraw/zinc/88/85/58/803888558.db2.gz HCFVGIMYYCVXLM-UHFFFAOYSA-N -1 3 290.290 3.384 20 0 CGADHM CC(=O)N1CCCc2cc(-c3c([O-])cccc3F)ccc21 ZINC001245656979 803889589 /nfs/dbraw/zinc/88/95/89/803889589.db2.gz WWJFLRWYWFLPKT-UHFFFAOYSA-N -1 3 285.318 3.497 20 0 CGADHM COC(=O)CCc1cccc(-c2c([O-])cccc2F)c1 ZINC001245657135 803890667 /nfs/dbraw/zinc/89/06/67/803890667.db2.gz SWFCKFPJIRFLCW-UHFFFAOYSA-N -1 3 274.291 3.304 20 0 CGADHM CN(C)Cc1ccnc(-c2cc(Cl)c([O-])cc2F)c1 ZINC001245670349 803899778 /nfs/dbraw/zinc/89/97/78/803899778.db2.gz QXQDAJKSFTWZEC-UHFFFAOYSA-N -1 3 280.730 3.308 20 0 CGADHM Fc1c(Cl)ccc(-c2ccc(-c3nnn[n-]3)cc2)c1F ZINC001245738981 803936710 /nfs/dbraw/zinc/93/67/10/803936710.db2.gz BUNABIMJGBSULF-UHFFFAOYSA-N -1 3 292.676 3.465 20 0 CGADHM Fc1c(Cl)ccc(-c2ccc(-c3nn[n-]n3)cc2)c1F ZINC001245738981 803936715 /nfs/dbraw/zinc/93/67/15/803936715.db2.gz BUNABIMJGBSULF-UHFFFAOYSA-N -1 3 292.676 3.465 20 0 CGADHM CCCOc1ccc(F)cc1[N-]c1nonc1C ZINC001212195694 814992219 /nfs/dbraw/zinc/99/22/19/814992219.db2.gz VNSVHIVTDSQHKE-UHFFFAOYSA-N -1 3 251.261 3.050 20 0 CGADHM Cc1[nH]c(CN(C)Cc2cccc(C)c2)c(C)c1C(=O)[O-] ZINC001140493857 804447559 /nfs/dbraw/zinc/44/75/59/804447559.db2.gz NBVPCBFAYQIAPR-UHFFFAOYSA-N -1 3 286.375 3.270 20 0 CGADHM CC(C)[C@H]1CCCN1Cc1ccc([O-])c(F)c1F ZINC001140892725 804543303 /nfs/dbraw/zinc/54/33/03/804543303.db2.gz YGNBMXYIOHMSHX-LLVKDONJSA-N -1 3 255.308 3.291 20 0 CGADHM O=C([O-])c1ccc(CN2CCC3(CC[C@@H](F)C3)CC2)o1 ZINC001140947489 804555356 /nfs/dbraw/zinc/55/53/56/804555356.db2.gz QPMLFTAKNZYMNG-LLVKDONJSA-N -1 3 281.327 3.082 20 0 CGADHM [O-]c1c(F)cc(CN2CCCC3(CCC3)C2)cc1F ZINC001140991878 804564890 /nfs/dbraw/zinc/56/48/90/804564890.db2.gz DDNWLDAJKZULBN-UHFFFAOYSA-N -1 3 267.319 3.437 20 0 CGADHM Cc1ccc(CNC(=O)c2ccc(C(C)C)cc2[O-])nc1C ZINC001141957584 804682182 /nfs/dbraw/zinc/68/21/82/804682182.db2.gz HQWOWLLSHSITRJ-UHFFFAOYSA-N -1 3 298.386 3.457 20 0 CGADHM CC(=O)c1ccc2c(c1)CN(C(=O)c1ccc(C)cc1[O-])C2 ZINC001142072835 804694022 /nfs/dbraw/zinc/69/40/22/804694022.db2.gz QWVWGYQQXDASRR-UHFFFAOYSA-N -1 3 295.338 3.059 20 0 CGADHM CC(=O)c1cc(Nc2cc(F)cc(F)c2[O-])ccc1O ZINC001212487781 815039007 /nfs/dbraw/zinc/03/90/07/815039007.db2.gz ZJKPSKJIVIPODZ-UHFFFAOYSA-N -1 3 279.242 3.322 20 0 CGADHM Nc1ccc2c(c1)N(c1cc(F)cc(F)c1[O-])CCC2 ZINC001212489212 815039426 /nfs/dbraw/zinc/03/94/26/815039426.db2.gz ISHWSUITOQZYGG-UHFFFAOYSA-N -1 3 276.286 3.337 20 0 CGADHM CCCCc1cc(NC(=O)c2ccc(C)cc2[O-])n[nH]1 ZINC001143794959 804896679 /nfs/dbraw/zinc/89/66/79/804896679.db2.gz XNIBAAKPYKUPGH-UHFFFAOYSA-N -1 3 273.336 3.019 20 0 CGADHM [O-]c1cc(F)c(CN2CC[C@H]3CCC[C@@H]3C2)c(F)c1 ZINC001144544855 805000441 /nfs/dbraw/zinc/00/04/41/805000441.db2.gz JNRHHFLGIOHIRK-GHMZBOCLSA-N -1 3 267.319 3.292 20 0 CGADHM Cc1ccc(C(=O)Nc2cnccc2C2CC2)c([O-])c1 ZINC001148492513 805187355 /nfs/dbraw/zinc/18/73/55/805187355.db2.gz NMVVLANEZGWDKG-UHFFFAOYSA-N -1 3 268.316 3.225 20 0 CGADHM Cc1ccc(C(=O)N(C)CC/C=C/c2cccnc2)c([O-])c1 ZINC001148504457 805191468 /nfs/dbraw/zinc/19/14/68/805191468.db2.gz RNXFIDAGTIITPD-ZZXKWVIFSA-N -1 3 296.370 3.271 20 0 CGADHM O=C(Nc1cc([O-])cc(Cl)c1)c1c[nH]c2ncccc12 ZINC001149372964 805230697 /nfs/dbraw/zinc/23/06/97/805230697.db2.gz HMNCKZIEPUBFFZ-UHFFFAOYSA-N -1 3 287.706 3.174 20 0 CGADHM Cc1ccc(C(=O)N(C)c2cccc3cc[nH]c32)c([O-])c1 ZINC001151024806 805278695 /nfs/dbraw/zinc/27/86/95/805278695.db2.gz XKAVPWTUIPUFIA-UHFFFAOYSA-N -1 3 280.327 3.459 20 0 CGADHM O=C(Nc1cccc([O-])c1F)c1nccc2ccsc21 ZINC001151092182 805282177 /nfs/dbraw/zinc/28/21/77/805282177.db2.gz ACKVXHFRMKSVNH-UHFFFAOYSA-N -1 3 288.303 3.393 20 0 CGADHM [O-]c1cc(F)c(Nc2cccc(O)c2F)c(F)c1 ZINC001212553429 815064990 /nfs/dbraw/zinc/06/49/90/815064990.db2.gz SAXGHNATJHAIIV-UHFFFAOYSA-N -1 3 255.195 3.259 20 0 CGADHM Cc1cccc(C)c1NC(=O)Cc1cc([O-])cc(F)c1 ZINC001250005762 805361535 /nfs/dbraw/zinc/36/15/35/805361535.db2.gz CQQCKIIDALPYSP-UHFFFAOYSA-N -1 3 273.307 3.329 20 0 CGADHM O=C(CCc1c([O-])cccc1F)c1ccc(F)cc1 ZINC001250029012 805379148 /nfs/dbraw/zinc/37/91/48/805379148.db2.gz VSWXPYKLENFTKQ-UHFFFAOYSA-N -1 3 262.255 3.486 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])c1cccc2ccncc21 ZINC001153468984 805398923 /nfs/dbraw/zinc/39/89/23/805398923.db2.gz ZKCWWYUKNKVBNJ-UHFFFAOYSA-N -1 3 282.274 3.332 20 0 CGADHM CCC(CC)CNC(=O)c1c(O)cc2ccccc2c1[O-] ZINC001154018790 805426770 /nfs/dbraw/zinc/42/67/70/805426770.db2.gz CXKQLKLNPPTUFC-UHFFFAOYSA-N -1 3 287.359 3.417 20 0 CGADHM CSc1ccc(F)c(C)c1Nc1cnc(C)[n-]c1=O ZINC001250132265 805433721 /nfs/dbraw/zinc/43/37/21/805433721.db2.gz GEMDRJBWIRNHHZ-UHFFFAOYSA-N -1 3 279.340 3.404 20 0 CGADHM CSc1ccc(F)c(C)c1Nc1cnc[n-]c1=O ZINC001250133363 805435518 /nfs/dbraw/zinc/43/55/18/805435518.db2.gz WHTSQZVAKXTZIV-UHFFFAOYSA-N -1 3 265.313 3.095 20 0 CGADHM Cc1nc(Cl)ccc1Nc1ncc(F)cc1[O-] ZINC001250153116 805446751 /nfs/dbraw/zinc/44/67/51/805446751.db2.gz PPQDVQNXMXZROS-UHFFFAOYSA-N -1 3 253.664 3.027 20 0 CGADHM O=c1[nH]c2ccccc2n1CCCc1ccc(F)c([O-])c1 ZINC001250180545 805467710 /nfs/dbraw/zinc/46/77/10/805467710.db2.gz QNVOYGNKEXRXRK-UHFFFAOYSA-N -1 3 286.306 3.219 20 0 CGADHM CSc1cc(Nc2ccc(Cl)c([O-])c2)n(C)n1 ZINC001212590307 815077982 /nfs/dbraw/zinc/07/79/82/815077982.db2.gz FZDGKSPRONONDQ-UHFFFAOYSA-N -1 3 269.757 3.245 20 0 CGADHM [O-]c1cc(Nc2nc(F)ccc2F)ccc1Cl ZINC001212590371 815078512 /nfs/dbraw/zinc/07/85/12/815078512.db2.gz JEKXITXAHNKBGI-UHFFFAOYSA-N -1 3 256.639 3.462 20 0 CGADHM [O-]c1cc(Nc2ccc(-n3nccn3)cc2)ccc1Cl ZINC001212593803 815080667 /nfs/dbraw/zinc/08/06/67/815080667.db2.gz KSVDTBJEIDXJQZ-UHFFFAOYSA-N -1 3 286.722 3.370 20 0 CGADHM [O-]c1cc(Nc2ccc(F)cc2CO)ccc1Cl ZINC001212594112 815080838 /nfs/dbraw/zinc/08/08/38/815080838.db2.gz PYCQKUNKOQFJFK-UHFFFAOYSA-N -1 3 267.687 3.421 20 0 CGADHM [O-]c1cc(F)c(Nc2c(F)ccc(CO)c2F)c(F)c1 ZINC001250261098 805529874 /nfs/dbraw/zinc/52/98/74/805529874.db2.gz QHXGDLZGEFCSDO-UHFFFAOYSA-N -1 3 287.212 3.185 20 0 CGADHM O=C(N[C@@H]1[C@H]2Cc3cc(Cl)ccc3[C@@H]12)c1ccccc1[O-] ZINC001167551432 807205617 /nfs/dbraw/zinc/20/56/17/807205617.db2.gz WIVYVCQBYGPSKU-NUEKZKHPSA-N -1 3 299.757 3.114 20 0 CGADHM CC(F)(F)c1ccc(Nc2cc(=O)[n-]c(=S)[nH]2)cc1 ZINC001212674089 815099336 /nfs/dbraw/zinc/09/93/36/815099336.db2.gz FLXRFPCRIKIVIN-UHFFFAOYSA-N -1 3 283.303 3.326 20 0 CGADHM CCc1cc(-c2noc(-c3cncc([O-])c3)n2)ccc1F ZINC001212708965 815110127 /nfs/dbraw/zinc/11/01/27/815110127.db2.gz YATFRPCZOSGFIT-UHFFFAOYSA-N -1 3 285.278 3.206 20 0 CGADHM Cc1cc([O-])c(-c2nnc(Cc3ccccc3C)o2)c(O)c1 ZINC001258454935 807460112 /nfs/dbraw/zinc/46/01/12/807460112.db2.gz CCVNVRCSICMAJQ-UHFFFAOYSA-N -1 3 296.326 3.355 20 0 CGADHM [O-]c1cc(Nc2cc(F)cc(CO)c2)c(F)cc1F ZINC001212747622 815123941 /nfs/dbraw/zinc/12/39/41/815123941.db2.gz PBFNKJVYQUXZTO-UHFFFAOYSA-N -1 3 269.222 3.045 20 0 CGADHM FC(F)(F)c1cc(NCCC2CCC2)nc(=S)[n-]1 ZINC001168886527 807534097 /nfs/dbraw/zinc/53/40/97/807534097.db2.gz FAFLZQISNOIVMW-UHFFFAOYSA-N -1 3 277.315 3.386 20 0 CGADHM O=c1[n-]cncc1-c1nc(-c2ccc3sccc3c2)no1 ZINC001212754883 815127347 /nfs/dbraw/zinc/12/73/47/815127347.db2.gz SSQDTBWOLNCYCU-UHFFFAOYSA-N -1 3 296.311 3.114 20 0 CGADHM [O-]c1cccnc1CNc1ncc(Cl)cc1C(F)F ZINC001169727325 807699931 /nfs/dbraw/zinc/69/99/31/807699931.db2.gz WKJGNSUVWYPTBJ-UHFFFAOYSA-N -1 3 285.681 3.385 20 0 CGADHM [O-]c1cccnc1CNc1cccc(C(F)F)c1 ZINC001169731573 807700040 /nfs/dbraw/zinc/70/00/40/807700040.db2.gz AWXHWCFZJQGKFA-UHFFFAOYSA-N -1 3 250.248 3.337 20 0 CGADHM [O-]c1cccnc1CNc1ccnc2c(F)cccc12 ZINC001169732980 807701376 /nfs/dbraw/zinc/70/13/76/807701376.db2.gz PYCXOPXTVHWLMZ-UHFFFAOYSA-N -1 3 269.279 3.087 20 0 CGADHM CN1CCOc2cc(Nc3ncc(Cl)cc3[O-])ccc21 ZINC001213041248 815210158 /nfs/dbraw/zinc/21/01/58/815210158.db2.gz QYLJLVYLYOANRJ-UHFFFAOYSA-N -1 3 291.738 3.013 20 0 CGADHM COc1ccccc1Nc1ccc([O-])c(F)c1F ZINC001173841237 808704995 /nfs/dbraw/zinc/70/49/95/808704995.db2.gz SHRNQNJMHKGOHU-UHFFFAOYSA-N -1 3 251.232 3.423 20 0 CGADHM Cc1cccc(C)c1Nc1cc(=O)[n-]c(C2CC2)n1 ZINC001173873851 808730658 /nfs/dbraw/zinc/73/06/58/808730658.db2.gz WHBAMHAPOKTRCJ-UHFFFAOYSA-N -1 3 255.321 3.420 20 0 CGADHM COc1cc(O)ccc1Nc1cc([O-])c(F)cc1F ZINC001213096646 815232612 /nfs/dbraw/zinc/23/26/12/815232612.db2.gz QPEGEBKXTJUZGY-UHFFFAOYSA-N -1 3 267.231 3.128 20 0 CGADHM COc1ccc(Nc2cc([O-])c(F)cc2F)c(OC)c1 ZINC001173892207 808745894 /nfs/dbraw/zinc/74/58/94/808745894.db2.gz HOMRHZICQGTVBT-UHFFFAOYSA-N -1 3 281.258 3.431 20 0 CGADHM [O-]c1cc(F)cnc1Nc1cnc2ccccc2c1 ZINC001174002410 808815051 /nfs/dbraw/zinc/81/50/51/808815051.db2.gz RSIKWERZQVLZAY-UHFFFAOYSA-N -1 3 255.252 3.218 20 0 CGADHM CS(=O)(=O)c1cccc(Nc2ccc([O-])c(Cl)c2)c1 ZINC001174028698 808830558 /nfs/dbraw/zinc/83/05/58/808830558.db2.gz XBIZJZZKIUXKND-UHFFFAOYSA-N -1 3 297.763 3.193 20 0 CGADHM CC(=O)NCc1ccc(Nc2cc(F)c([O-])c(F)c2)cc1 ZINC001174231419 808915005 /nfs/dbraw/zinc/91/50/05/808915005.db2.gz FVIVTCCLUOBVQE-UHFFFAOYSA-N -1 3 292.285 3.050 20 0 CGADHM Cc1c([N-]c2nc3cc(Cl)ccc3o2)cnn1C ZINC001174389180 808989138 /nfs/dbraw/zinc/98/91/38/808989138.db2.gz LUSBSYFGZQTVKA-UHFFFAOYSA-N -1 3 262.700 3.267 20 0 CGADHM Cc1cc(O)ccc1Nc1ncc(Br)cc1[O-] ZINC001174559724 809082309 /nfs/dbraw/zinc/08/23/09/809082309.db2.gz UMERRZFIXCBZMH-UHFFFAOYSA-N -1 3 295.136 3.307 20 0 CGADHM COC(=O)c1cc(Cl)cc(Nc2ncc(F)cc2[O-])c1 ZINC001213332914 815266454 /nfs/dbraw/zinc/26/64/54/815266454.db2.gz PFTNIHDZLPBLST-UHFFFAOYSA-N -1 3 296.685 3.110 20 0 CGADHM [O-]c1cc(F)cnc1Nc1ccc(F)c(F)c1F ZINC001174967671 809221122 /nfs/dbraw/zinc/22/11/22/809221122.db2.gz RWHRBSFQCHLJRW-UHFFFAOYSA-N -1 3 258.174 3.087 20 0 CGADHM CCOc1cc(F)cc(Nc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC001175003097 809234877 /nfs/dbraw/zinc/23/48/77/809234877.db2.gz DZVWZMNEHFKVSE-UHFFFAOYSA-N -1 3 289.310 3.341 20 0 CGADHM Cc1cnn(CC2CC2)c1Nc1cc(F)c([O-])c(F)c1 ZINC001213377446 815272843 /nfs/dbraw/zinc/27/28/43/815272843.db2.gz PIITVPCYXQSXLY-UHFFFAOYSA-N -1 3 279.290 3.329 20 0 CGADHM Cc1cnc(Cl)c(Nc2cc(F)c([O-])c(F)c2)c1N ZINC001213377370 815272933 /nfs/dbraw/zinc/27/29/33/815272933.db2.gz LUZUGQSACVLPFC-UHFFFAOYSA-N -1 3 285.681 3.353 20 0 CGADHM Nc1ccc(N(c2cc(F)c([O-])c(F)c2)C2CCC2)nc1 ZINC001213377155 815273533 /nfs/dbraw/zinc/27/35/33/815273533.db2.gz AFAAYZCARSYWDN-UHFFFAOYSA-N -1 3 291.301 3.338 20 0 CGADHM CCOc1ccc(F)cc1Nc1cc(=O)[n-]c(C2CC2)n1 ZINC001175079432 809261117 /nfs/dbraw/zinc/26/11/17/809261117.db2.gz JWONGUBEWWNVMP-UHFFFAOYSA-N -1 3 289.310 3.341 20 0 CGADHM COc1c(O)cccc1Nc1c(F)cc([O-])cc1F ZINC001175103667 809272578 /nfs/dbraw/zinc/27/25/78/809272578.db2.gz VDCFNBUOFBKXLY-UHFFFAOYSA-N -1 3 267.231 3.128 20 0 CGADHM CN1CCc2ccc(Nc3c(F)cc([O-])cc3F)cc21 ZINC001175103674 809272660 /nfs/dbraw/zinc/27/26/60/809272660.db2.gz VHORNLPHZCWSOV-UHFFFAOYSA-N -1 3 276.286 3.406 20 0 CGADHM CCc1cnn2cc(Nc3c(F)ccc([O-])c3F)cnc12 ZINC001175265103 809330902 /nfs/dbraw/zinc/33/09/02/809330902.db2.gz BTVLTFLYZYBFEG-UHFFFAOYSA-N -1 3 290.273 3.019 20 0 CGADHM NC(=O)c1ccc(Cl)c(Nc2c(F)ccc([O-])c2F)c1 ZINC001175268145 809333291 /nfs/dbraw/zinc/33/32/91/809333291.db2.gz ISQXAYOVVBZJEG-UHFFFAOYSA-N -1 3 298.676 3.166 20 0 CGADHM Cc1ccc(C(=O)N[C@@H]2CC=CC[C@H]2C(F)(F)F)c([O-])c1 ZINC001175276625 809336266 /nfs/dbraw/zinc/33/62/66/809336266.db2.gz FRGOJNDJDGLECO-VXGBXAGGSA-N -1 3 299.292 3.328 20 0 CGADHM NC(=O)c1ccc(Nc2cc(Cl)ccc2F)cc1[O-] ZINC001175302040 809345140 /nfs/dbraw/zinc/34/51/40/809345140.db2.gz HMYGPVQTFNNLTA-UHFFFAOYSA-N -1 3 280.686 3.027 20 0 CGADHM CN1CCc2ccc(Nc3cccc(C(=O)[O-])c3)cc2C1 ZINC001175335304 809361211 /nfs/dbraw/zinc/36/12/11/809361211.db2.gz ZLQWVPBZLRAVML-UHFFFAOYSA-N -1 3 282.343 3.116 20 0 CGADHM CC(C)(F)c1cc([N-]C(=O)c2c(F)cccc2F)no1 ZINC001289938969 809396823 /nfs/dbraw/zinc/39/68/23/809396823.db2.gz DMZKHJAFOIFDCX-UHFFFAOYSA-N -1 3 284.237 3.410 20 0 CGADHM Cc1cc(Nc2ccc(-c3nn[n-]n3)cc2)ccc1F ZINC001175428817 809401096 /nfs/dbraw/zinc/40/10/96/809401096.db2.gz MEDXIGMMNJLJCW-UHFFFAOYSA-N -1 3 269.283 3.058 20 0 CGADHM c1cc2ncc(Nc3ccc(-c4nn[n-]n4)cc3)cc2s1 ZINC001175427643 809401139 /nfs/dbraw/zinc/40/11/39/809401139.db2.gz OQFUIDIFCQVRMB-UHFFFAOYSA-N -1 3 294.343 3.220 20 0 CGADHM Cc1cccc(C)c1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175428444 809401332 /nfs/dbraw/zinc/40/13/32/809401332.db2.gz JNDZFXCHVOHLBE-UHFFFAOYSA-N -1 3 265.320 3.227 20 0 CGADHM CCc1ccc(OC)c(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001175431595 809402665 /nfs/dbraw/zinc/40/26/65/809402665.db2.gz JXGOHDOGQGBPPC-UHFFFAOYSA-N -1 3 295.346 3.181 20 0 CGADHM O=C(Nc1ncccc1[O-])c1ccccc1-c1ccncc1 ZINC001296272325 809501728 /nfs/dbraw/zinc/50/17/28/809501728.db2.gz XSEMZCBHMVPOSW-UHFFFAOYSA-N -1 3 291.310 3.102 20 0 CGADHM COc1cc(NC(=O)c2cc([O-])c3ccccc3c2)ccn1 ZINC001298826864 809540664 /nfs/dbraw/zinc/54/06/64/809540664.db2.gz HRERDGVGCCRQKR-UHFFFAOYSA-N -1 3 294.310 3.201 20 0 CGADHM Cc1cccc(CO[N-]C(=O)CC/C=C/c2ccccc2)n1 ZINC001301635482 809584968 /nfs/dbraw/zinc/58/49/68/809584968.db2.gz OCVXHLFGAOWBGY-VZUCSPMQSA-N -1 3 296.370 3.431 20 0 CGADHM O=C(Cc1ccc([O-])c(F)c1)Nc1cncc(C(F)F)c1 ZINC001302738342 809600265 /nfs/dbraw/zinc/60/02/65/809600265.db2.gz GCDNDLXOOXTPFX-UHFFFAOYSA-N -1 3 296.248 3.045 20 0 CGADHM Cc1cc(C(F)(F)F)ccc1Nc1cnc[n-]c1=O ZINC001176205856 809647040 /nfs/dbraw/zinc/64/70/40/809647040.db2.gz MFAMLWHNTFAZKW-UHFFFAOYSA-N -1 3 269.226 3.253 20 0 CGADHM COC(=O)c1ccc([O-])cc1Nc1ccc2c(c1)CCC2=O ZINC001176236573 809653334 /nfs/dbraw/zinc/65/33/34/809653334.db2.gz AHLBGZQEZZHILD-UHFFFAOYSA-N -1 3 297.310 3.051 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2cnn(C3CCC3)c2)c1 ZINC001178999218 809898215 /nfs/dbraw/zinc/89/82/15/809898215.db2.gz GTDNTGUKUKVKHQ-UHFFFAOYSA-N -1 3 285.347 3.128 20 0 CGADHM Cc1ccc(Cl)c(CC(=O)Nc2ncccc2[O-])c1F ZINC001179971134 809963730 /nfs/dbraw/zinc/96/37/30/809963730.db2.gz KIZWGRKKRSKZHP-UHFFFAOYSA-N -1 3 294.713 3.069 20 0 CGADHM Cc1cc(C)cc(OCC(=O)Nc2ccc(F)c([O-])c2)c1 ZINC001180543329 810008988 /nfs/dbraw/zinc/00/89/88/810008988.db2.gz YWCNRHZNIDPHHK-UHFFFAOYSA-N -1 3 289.306 3.166 20 0 CGADHM Cc1nc(Nc2cc(F)c(Cl)cc2F)cc(=O)[n-]1 ZINC001213935464 815348160 /nfs/dbraw/zinc/34/81/60/815348160.db2.gz ZEPVJPIHGJHEQS-UHFFFAOYSA-N -1 3 271.654 3.166 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2cc(C(C)(C)C)ccn2)n1 ZINC001184550261 810208764 /nfs/dbraw/zinc/20/87/64/810208764.db2.gz HUOGIVVQOIZSOV-UHFFFAOYSA-N -1 3 285.347 3.040 20 0 CGADHM COc1cc(F)c(Nc2cc(=O)[n-]c(C)n2)cc1Cl ZINC001214058071 815362879 /nfs/dbraw/zinc/36/28/79/815362879.db2.gz CTFDNIZEVIRMPO-UHFFFAOYSA-N -1 3 283.690 3.035 20 0 CGADHM COc1cc(F)c(Nc2ncc(F)cc2[O-])cc1Cl ZINC001214062926 815363828 /nfs/dbraw/zinc/36/38/28/815363828.db2.gz RTQTVZLMQSKEHQ-UHFFFAOYSA-N -1 3 286.665 3.471 20 0 CGADHM O=S(=O)([N-]c1ccc(F)c(F)c1Cl)c1ccoc1 ZINC001188615795 810494520 /nfs/dbraw/zinc/49/45/20/810494520.db2.gz WMJPAULHFZGQAC-UHFFFAOYSA-N -1 3 293.678 3.012 20 0 CGADHM O=S(=O)(CC1CC1)[N-]c1cc(Cl)cc2cnccc21 ZINC001188976359 810530194 /nfs/dbraw/zinc/53/01/94/810530194.db2.gz GTUDZZVNYORSME-UHFFFAOYSA-N -1 3 296.779 3.040 20 0 CGADHM Cc1ccccc1C(C)(C)NC(=O)c1c(C)cc(O)cc1[O-] ZINC001193953424 810985460 /nfs/dbraw/zinc/98/54/60/810985460.db2.gz TYTRTJSSCMLMRZ-UHFFFAOYSA-N -1 3 299.370 3.380 20 0 CGADHM O=c1[n-]cncc1Nc1c(F)ccc(Cl)c1Cl ZINC001214505302 815418327 /nfs/dbraw/zinc/41/83/27/815418327.db2.gz RKQINDHRAQUBAY-UHFFFAOYSA-N -1 3 274.082 3.372 20 0 CGADHM COc1c(C)ccc(F)c1Nc1cc(=O)[n-]c(C2CC2)n1 ZINC001214527680 815419486 /nfs/dbraw/zinc/41/94/86/815419486.db2.gz IGYNESPJTHADIP-UHFFFAOYSA-N -1 3 289.310 3.259 20 0 CGADHM CN(C)c1ccc(Nc2c(Cl)ccc([O-])c2F)cn1 ZINC001214554205 815423722 /nfs/dbraw/zinc/42/37/22/815423722.db2.gz LOKIDOAIURIOLS-UHFFFAOYSA-N -1 3 281.718 3.389 20 0 CGADHM CC(C)(C)n1cc(C(=O)Nc2cc([O-])cc(Cl)c2)cn1 ZINC001194802132 811139721 /nfs/dbraw/zinc/13/97/21/811139721.db2.gz ZQAUVFKBBJXPBC-UHFFFAOYSA-N -1 3 293.754 3.249 20 0 CGADHM CCCCNC(=S)Nc1ccc(C(F)(F)F)cc1[O-] ZINC001200459052 811694615 /nfs/dbraw/zinc/69/46/15/811694615.db2.gz OFBBVGHJAZXDIF-UHFFFAOYSA-N -1 3 292.326 3.498 20 0 CGADHM CSc1ccc(NC(=S)Nc2ncccc2[O-])cc1 ZINC001201178243 811792405 /nfs/dbraw/zinc/79/24/05/811792405.db2.gz VCFAPSOPOUEDNM-UHFFFAOYSA-N -1 3 291.401 3.318 20 0 CGADHM S=C1Cc2ccc(-c3cccc4c3OCO4)cc2[N-]1 ZINC001242590469 823048767 /nfs/dbraw/zinc/04/87/67/823048767.db2.gz PBKUYJIOXMMYHU-UHFFFAOYSA-N -1 3 269.325 3.378 20 0 CGADHM O=C1CCCCc2cc(Nc3cncc([O-])c3)ccc21 ZINC001201642333 811928094 /nfs/dbraw/zinc/92/80/94/811928094.db2.gz RRNCZDQRWJEEFR-UHFFFAOYSA-N -1 3 268.316 3.440 20 0 CGADHM COc1cc(F)cc(-c2noc(-c3ccccc3[O-])n2)c1 ZINC001215142321 815487592 /nfs/dbraw/zinc/48/75/92/815487592.db2.gz XLJBVMZDSRMELO-UHFFFAOYSA-N -1 3 286.262 3.257 20 0 CGADHM Cc1ccc(NC(=O)Nc2nc(C)ccc2[O-])c(C)c1 ZINC001202739450 812162210 /nfs/dbraw/zinc/16/22/10/812162210.db2.gz UTGSBCPRVLMOIJ-UHFFFAOYSA-N -1 3 271.320 3.356 20 0 CGADHM COc1ccc(C)cc1NC(=O)Nc1nc(C)ccc1[O-] ZINC001202858281 812188730 /nfs/dbraw/zinc/18/87/30/812188730.db2.gz XVPDSXUIXFLCKW-UHFFFAOYSA-N -1 3 287.319 3.057 20 0 CGADHM [O-]c1cc(Cl)cnc1Nc1ccc(F)c2n[nH]cc21 ZINC001215368730 815509994 /nfs/dbraw/zinc/50/99/94/815509994.db2.gz WPRCQDMPLVOHBF-UHFFFAOYSA-N -1 3 278.674 3.200 20 0 CGADHM CC(=O)c1cccnc1Nc1cc(F)c([O-])cc1F ZINC001215571093 815537764 /nfs/dbraw/zinc/53/77/64/815537764.db2.gz WZUOCEYCADXMBU-UHFFFAOYSA-N -1 3 264.231 3.012 20 0 CGADHM Cc1ccc(Nc2cnc3ccnn3c2)c(Cl)c1[O-] ZINC001204814312 812745124 /nfs/dbraw/zinc/74/51/24/812745124.db2.gz RDGZSFJIVXWLEV-UHFFFAOYSA-N -1 3 274.711 3.140 20 0 CGADHM CCc1cnc(-c2ccc([O-])cc2C(F)(F)F)nc1 ZINC001205066841 812844524 /nfs/dbraw/zinc/84/45/24/812844524.db2.gz WDXPFQGYNFQKSV-UHFFFAOYSA-N -1 3 268.238 3.430 20 0 CGADHM Cc1ccc2nc(-c3ccc([O-])cc3F)ncc2c1 ZINC001206029780 813171551 /nfs/dbraw/zinc/17/15/51/813171551.db2.gz JFRTTWFJBYYVLY-UHFFFAOYSA-N -1 3 254.264 3.450 20 0 CGADHM CSc1ccc(-c2ccc(Cc3nnn[n-]3)cc2)c(C)c1 ZINC001206095707 813199636 /nfs/dbraw/zinc/19/96/36/813199636.db2.gz IRGLIYVRSWKWNL-UHFFFAOYSA-N -1 3 296.399 3.488 20 0 CGADHM CSc1ccc(-c2ccc(Cc3nn[n-]n3)cc2)c(C)c1 ZINC001206095707 813199640 /nfs/dbraw/zinc/19/96/40/813199640.db2.gz IRGLIYVRSWKWNL-UHFFFAOYSA-N -1 3 296.399 3.488 20 0 CGADHM CN1CC=C(Nc2cc(Cl)ccc2[S-])CC1 ZINC001208838076 813862777 /nfs/dbraw/zinc/86/27/77/813862777.db2.gz NZQQGYYLJVFEKV-UHFFFAOYSA-N -1 3 254.786 3.260 20 0 CGADHM CCOc1ccc(Nc2cc(=O)[n-]c(C)n2)c(Cl)c1 ZINC001209894161 814192064 /nfs/dbraw/zinc/19/20/64/814192064.db2.gz VADAWTKLMWXYSK-UHFFFAOYSA-N -1 3 279.727 3.286 20 0 CGADHM [O-]c1cc(Cl)cnc1Nc1ccc(OCC2CC2)nc1 ZINC001210010668 814242418 /nfs/dbraw/zinc/24/24/18/814242418.db2.gz XSZLZSBZKXXFBQ-UHFFFAOYSA-N -1 3 291.738 3.368 20 0 CGADHM Cc1ncc(Nc2cc(Cl)c(F)cc2F)c(=O)[n-]1 ZINC001210110879 814295718 /nfs/dbraw/zinc/29/57/18/814295718.db2.gz ICZMUKFFCXLUFL-UHFFFAOYSA-N -1 3 271.654 3.166 20 0 CGADHM O=C([O-])c1ccc(Nc2ccnc(C3CCC3)c2)cn1 ZINC001210174854 814320771 /nfs/dbraw/zinc/32/07/71/814320771.db2.gz VWTZRWWKBWPMOQ-UHFFFAOYSA-N -1 3 269.304 3.186 20 0 CGADHM [O-]c1c(Cl)cccc1Nc1nccnc1C1CC1 ZINC001210216595 814347494 /nfs/dbraw/zinc/34/74/94/814347494.db2.gz YJHFZIJQHDGJME-UHFFFAOYSA-N -1 3 261.712 3.457 20 0 CGADHM CN(C)C(=O)c1ccccc1Nc1cccc(Cl)c1[O-] ZINC001210222212 814348518 /nfs/dbraw/zinc/34/85/18/814348518.db2.gz UJZXRMLXJXGHLI-UHFFFAOYSA-N -1 3 290.750 3.491 20 0 CGADHM O=C1NCc2ccc(Nc3cccc(Cl)c3[O-])cc2N1 ZINC001210222679 814351055 /nfs/dbraw/zinc/35/10/55/814351055.db2.gz BHDIXYBPDDMKAD-UHFFFAOYSA-N -1 3 289.722 3.424 20 0 CGADHM c1cc2ccncc2c([N-]c2nonc2C2CC2)c1 ZINC001210226198 814353129 /nfs/dbraw/zinc/35/31/29/814353129.db2.gz SXIFWUANEWLDKD-UHFFFAOYSA-N -1 3 252.277 3.239 20 0 CGADHM Cc1ccc(Nc2cnc[n-]c2=O)c(C(F)(F)F)c1 ZINC001210525117 814508616 /nfs/dbraw/zinc/50/86/16/814508616.db2.gz VLGWCJSEPCZZMJ-UHFFFAOYSA-N -1 3 269.226 3.253 20 0 CGADHM [O-]c1cccc(Nc2ncncc2Cl)c1Cl ZINC001210844267 814649674 /nfs/dbraw/zinc/64/96/74/814649674.db2.gz BYNXEERDCZKUNH-UHFFFAOYSA-N -1 3 256.092 3.233 20 0 CGADHM CCOC(=O)c1ccncc1Nc1cccc([O-])c1Cl ZINC001210852089 814650835 /nfs/dbraw/zinc/65/08/35/814650835.db2.gz VMEUCXWZAKNWNI-UHFFFAOYSA-N -1 3 292.722 3.361 20 0 CGADHM O=C1NCc2cc(Nc3cccc([O-])c3Cl)ccc21 ZINC001210854187 814652123 /nfs/dbraw/zinc/65/21/23/814652123.db2.gz FSYLTIJJGPGHNY-UHFFFAOYSA-N -1 3 274.707 3.033 20 0 CGADHM [O-]c1cccc(Nc2cc3n(n2)CC2(CC2)CO3)c1Cl ZINC001210854819 814652267 /nfs/dbraw/zinc/65/22/67/814652267.db2.gz ASCBGMBVIHHCJC-UHFFFAOYSA-N -1 3 291.738 3.158 20 0 CGADHM Nc1c(F)cc(Nc2cc(F)c([O-])c(F)c2)cc1F ZINC001210909827 814668930 /nfs/dbraw/zinc/66/89/30/814668930.db2.gz SFEFVETYHHNWEW-UHFFFAOYSA-N -1 3 272.201 3.274 20 0 CGADHM Cc1c(CO)cccc1Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001211162755 814838628 /nfs/dbraw/zinc/83/86/28/814838628.db2.gz GEYBJFRPURYCPX-UHFFFAOYSA-N -1 3 295.342 3.122 20 0 CGADHM COc1cc(Nc2cc(=O)[n-]c(C)n2)cc(C(F)(F)F)c1 ZINC001211335118 814881085 /nfs/dbraw/zinc/88/10/85/814881085.db2.gz XGLJKQSASSUPIP-UHFFFAOYSA-N -1 3 299.252 3.262 20 0 CGADHM Fc1ccc(-c2nnn[n-]2)cc1-c1cccc(OC2CC2)c1 ZINC001242806540 823139852 /nfs/dbraw/zinc/13/98/52/823139852.db2.gz GGVVVIWMBVCUAF-UHFFFAOYSA-N -1 3 296.305 3.214 20 0 CGADHM Fc1ccc(-c2nn[n-]n2)cc1-c1cccc(OC2CC2)c1 ZINC001242806540 823139854 /nfs/dbraw/zinc/13/98/54/823139854.db2.gz GGVVVIWMBVCUAF-UHFFFAOYSA-N -1 3 296.305 3.214 20 0 CGADHM Cc1ncc(Nc2ccc(O)c(C(C)C)c2)c(=O)[n-]1 ZINC001215844406 815612103 /nfs/dbraw/zinc/61/21/03/815612103.db2.gz HYOHFFDVYYHMNF-UHFFFAOYSA-N -1 3 259.309 3.063 20 0 CGADHM Nc1c(F)c(F)c(F)cc1Nc1ccc([O-])c(F)c1F ZINC001216009665 815659706 /nfs/dbraw/zinc/65/97/06/815659706.db2.gz WDKDSAQYFHGTFQ-UHFFFAOYSA-N -1 3 290.191 3.414 20 0 CGADHM CC(=O)c1ccc(Nc2cc(C)c(F)c([O-])c2)cc1O ZINC001216081990 815685426 /nfs/dbraw/zinc/68/54/26/815685426.db2.gz HKAHFDSGXSRYOO-UHFFFAOYSA-N -1 3 275.279 3.492 20 0 CGADHM COc1c(F)ccc(Nc2ncc(Cl)cc2[O-])c1OC ZINC001216390486 815809569 /nfs/dbraw/zinc/80/95/69/815809569.db2.gz CNLDBRLONFJEDK-UHFFFAOYSA-N -1 3 298.701 3.341 20 0 CGADHM CC(C)(C)c1nnc([N-]c2cc(Cl)cc(CO)c2)o1 ZINC001216433805 815827429 /nfs/dbraw/zinc/82/74/29/815827429.db2.gz HPLYVCDRZAITPR-UHFFFAOYSA-N -1 3 281.743 3.256 20 0 CGADHM CC(=O)c1cc(-c2noc(-c3c(C)cccc3[O-])n2)ccn1 ZINC001216540559 815854307 /nfs/dbraw/zinc/85/43/07/815854307.db2.gz XFCNLQYITGWGJF-UHFFFAOYSA-N -1 3 295.298 3.015 20 0 CGADHM COc1ccc(-c2noc(-c3cc(O)ccc3[O-])n2)c(C)c1 ZINC001216735612 815894425 /nfs/dbraw/zinc/89/44/25/815894425.db2.gz OGSOPSBIDJRRLN-UHFFFAOYSA-N -1 3 298.298 3.132 20 0 CGADHM [O-]c1cc(Cl)cc(-c2nc(-c3cccnc3)no2)c1 ZINC001216701784 815895198 /nfs/dbraw/zinc/89/51/98/815895198.db2.gz AUUPLIUTDXNLHZ-UHFFFAOYSA-N -1 3 273.679 3.158 20 0 CGADHM CC(=O)c1cc(C(C)C)c([O-])cc1OC1CCC(O)CC1 ZINC001218366767 816181302 /nfs/dbraw/zinc/18/13/02/816181302.db2.gz FVIISNMGPWHSFF-UHFFFAOYSA-N -1 3 292.375 3.401 20 0 CGADHM [O-]c1ccccc1Oc1ccccc1OC[C@H]1C[C@H](O)C1 ZINC001218431519 816210250 /nfs/dbraw/zinc/21/02/50/816210250.db2.gz VFRURZWMWRDRCF-JOCQHMNTSA-N -1 3 286.327 3.334 20 0 CGADHM Nc1cccc(NC(=O)c2ccc([O-])cc2C(F)(F)F)c1 ZINC001218829021 816254495 /nfs/dbraw/zinc/25/44/95/816254495.db2.gz VKGYNZXWKMKZLE-UHFFFAOYSA-N -1 3 296.248 3.246 20 0 CGADHM CCC(C)(C)CCNC(=O)NCc1ccc([O-])c(F)c1 ZINC001222223683 816378036 /nfs/dbraw/zinc/37/80/36/816378036.db2.gz JFZHSIVWZCBXEP-UHFFFAOYSA-N -1 3 282.359 3.157 20 0 CGADHM CC(C)COc1cnc(-c2ccc(F)c([O-])c2)cn1 ZINC001243046539 823223654 /nfs/dbraw/zinc/22/36/54/823223654.db2.gz KLUUFJBZEBANQP-UHFFFAOYSA-N -1 3 262.284 3.023 20 0 CGADHM CCOC(=O)c1ccnc(-c2ccc(F)c([O-])c2)c1C ZINC001243050336 823227288 /nfs/dbraw/zinc/22/72/88/823227288.db2.gz XJROOLKTLWNNOB-UHFFFAOYSA-N -1 3 275.279 3.078 20 0 CGADHM CC1CCN(c2cncc(-c3ccc(F)c([O-])c3)n2)CC1 ZINC001243051681 823228418 /nfs/dbraw/zinc/22/84/18/823228418.db2.gz XLDAJEUVUIOYLP-UHFFFAOYSA-N -1 3 287.338 3.225 20 0 CGADHM [O-]c1cc(-c2cccc(OC(F)F)n2)ccc1F ZINC001243053866 823228993 /nfs/dbraw/zinc/22/89/93/823228993.db2.gz HLWUWTQGGBHDPK-UHFFFAOYSA-N -1 3 255.195 3.195 20 0 CGADHM [O-]c1coc2cc(O[C@H]3CCc4ccccc4C3)ccc12 ZINC001225341515 817017350 /nfs/dbraw/zinc/01/73/50/817017350.db2.gz APBIDRLOZITKGD-AWEZNQCLSA-N -1 3 280.323 3.198 20 0 CGADHM Cc1ccc2c(c1)[C@@H](Oc1[n-]c(=S)ncc1C)CC2 ZINC001225739659 817162747 /nfs/dbraw/zinc/16/27/47/817162747.db2.gz SKEAQIRJKQUPEZ-ZDUSSCGKSA-N -1 3 272.373 3.448 20 0 CGADHM FC(F)(F)c1cc(OC(C2CC2)C2CC2)nc(=S)[n-]1 ZINC001225852352 817196773 /nfs/dbraw/zinc/19/67/73/817196773.db2.gz HAJRIPVXPASNMM-UHFFFAOYSA-N -1 3 290.310 3.352 20 0 CGADHM Cc1ccc([C@H](Oc2nc[n-]c(=O)c2C)C(F)(F)F)cc1 ZINC001226076087 817265696 /nfs/dbraw/zinc/26/56/96/817265696.db2.gz LLBZCMHXELWFRO-NSHDSACASA-N -1 3 298.264 3.481 20 0 CGADHM CCc1nc(O[C@H]2CCCc3ccccc32)cc(=O)[n-]1 ZINC001226472582 817367072 /nfs/dbraw/zinc/36/70/72/817367072.db2.gz JXJCKFHMCMDHGZ-ZDUSSCGKSA-N -1 3 270.332 3.201 20 0 CGADHM CCc1nc(O[C@@H]2CCc3ccc(Cl)cc32)cc(=O)[n-]1 ZINC001226474401 817368060 /nfs/dbraw/zinc/36/80/60/817368060.db2.gz FQEWIFMUPHFVNI-GFCCVEGCSA-N -1 3 290.750 3.464 20 0 CGADHM CC[C@@H](C)[C@@H](C)Oc1c([O-])ccc(C(C)=O)c1O ZINC001226481555 817371085 /nfs/dbraw/zinc/37/10/85/817371085.db2.gz GXXVGCGDMGKTCL-PSASIEDQSA-N -1 3 252.310 3.114 20 0 CGADHM CCC[C@@H](Oc1cc(=O)[n-]c(C)n1)c1ccc(OC)cc1 ZINC001226512342 817381357 /nfs/dbraw/zinc/38/13/57/817381357.db2.gz PMTHEZNKLCNJAV-CQSZACIVSA-N -1 3 288.347 3.419 20 0 CGADHM C[C@@H]1CCC[C@@H](Oc2[n-]c(=O)nc3nc(Cl)ccc32)C1 ZINC001226554987 817396116 /nfs/dbraw/zinc/39/61/16/817396116.db2.gz AHKHDDZIHAZJRB-RKDXNWHRSA-N -1 3 293.754 3.341 20 0 CGADHM CC1(C)C[C@H](Oc2cccc([O-])c2Cl)CCO1 ZINC001226708118 817441188 /nfs/dbraw/zinc/44/11/88/817441188.db2.gz ASLHBDQRYFSZAO-SECBINFHSA-N -1 3 256.729 3.382 20 0 CGADHM CCOC(=O)[C@@H]1CC[C@H](Oc2cccc([O-])c2Cl)C1 ZINC001226709793 817441835 /nfs/dbraw/zinc/44/18/35/817441835.db2.gz SPTRZGQYKIEBDY-ZJUUUORDSA-N -1 3 284.739 3.156 20 0 CGADHM C[C@H](Oc1cccc([O-])c1Cl)C1CCOCC1 ZINC001226712390 817443639 /nfs/dbraw/zinc/44/36/39/817443639.db2.gz RCZXFIZXIYGDTC-VIFPVBQESA-N -1 3 256.729 3.240 20 0 CGADHM Cc1cc(O[C@@H]2CCC(=O)c3ccccc32)[n-]c(=S)n1 ZINC001226799547 817468664 /nfs/dbraw/zinc/46/86/64/817468664.db2.gz XAGZWVMQKZBRQH-CYBMUJFWSA-N -1 3 286.356 3.170 20 0 CGADHM Cc1cc(O[C@@H](C)c2cccc(N(C)C)c2)[n-]c(=S)n1 ZINC001226797921 817468870 /nfs/dbraw/zinc/46/88/70/817468870.db2.gz FCGAZICALIMOGH-NSHDSACASA-N -1 3 289.404 3.280 20 0 CGADHM CCc1cnc(=S)[n-]c1O[C@H]1CCOc2ccccc21 ZINC001227061512 817547190 /nfs/dbraw/zinc/54/71/90/817547190.db2.gz JTPPELAFMUGUPC-ZDUSSCGKSA-N -1 3 288.372 3.230 20 0 CGADHM Cc1ccc(Cl)cc1[C@H](C)Oc1ccc(=O)[n-]n1 ZINC001227093267 817555200 /nfs/dbraw/zinc/55/52/00/817555200.db2.gz JUOBWYUCILOQMM-VIFPVBQESA-N -1 3 264.712 3.284 20 0 CGADHM O=c1ccc(O[C@H]2CCc3cc(C(F)(F)F)ccc32)n[n-]1 ZINC001227092548 817555380 /nfs/dbraw/zinc/55/53/80/817555380.db2.gz BRQVWWAQLYFVKR-NSHDSACASA-N -1 3 296.248 3.267 20 0 CGADHM C[C@@H](Oc1ccc(=O)[n-]n1)c1csc(Cl)c1 ZINC001227095465 817556722 /nfs/dbraw/zinc/55/67/22/817556722.db2.gz QEAHSEXRERSRCL-ZCFIWIBFSA-N -1 3 256.714 3.037 20 0 CGADHM COC(=O)c1ccc([O-])c(O[C@@H](C)CCCC(C)C)n1 ZINC001227820711 817726233 /nfs/dbraw/zinc/72/62/33/817726233.db2.gz ZOQXPIQKPLJHRT-NSHDSACASA-N -1 3 281.352 3.167 20 0 CGADHM COC(=O)c1ccc([O-])c(O[C@@H]2C[C@H](C)CC(C)(C)C2)n1 ZINC001227819524 817726459 /nfs/dbraw/zinc/72/64/59/817726459.db2.gz CHKQMCNKEDDPCB-WDEREUQCSA-N -1 3 293.363 3.167 20 0 CGADHM COC(=O)c1ccc([O-])c(OC2CCC(C(C)C)CC2)n1 ZINC001227820649 817726698 /nfs/dbraw/zinc/72/66/98/817726698.db2.gz YPNDPSBHPLNOGD-UHFFFAOYSA-N -1 3 293.363 3.167 20 0 CGADHM CCCc1c([O-])ccc(C(C)=O)c1O[C@@H]1CCCN(C)C1 ZINC001228134401 817820049 /nfs/dbraw/zinc/82/00/49/817820049.db2.gz POAQXHXQMSCKEI-CYBMUJFWSA-N -1 3 291.391 3.020 20 0 CGADHM CO[C@H](C)CCOc1cc(-c2ccccc2)nc(=S)[n-]1 ZINC001228346589 817884028 /nfs/dbraw/zinc/88/40/28/817884028.db2.gz KUFPWQJKOCXDES-LLVKDONJSA-N -1 3 290.388 3.236 20 0 CGADHM C[C@@H](Oc1nnc(-c2cccnc2)[n-]1)c1ccccc1F ZINC001228696396 817977046 /nfs/dbraw/zinc/97/70/46/817977046.db2.gz WMFLLFNVCWJZKP-SNVBAGLBSA-N -1 3 284.294 3.146 20 0 CGADHM C[C@@H](Oc1nc(-c2cccnc2)n[n-]1)c1ccccc1F ZINC001228696396 817977050 /nfs/dbraw/zinc/97/70/50/817977050.db2.gz WMFLLFNVCWJZKP-SNVBAGLBSA-N -1 3 284.294 3.146 20 0 CGADHM C[C@@H](Oc1n[n-]c(-c2cccnc2)n1)c1ccccc1F ZINC001228696396 817977052 /nfs/dbraw/zinc/97/70/52/817977052.db2.gz WMFLLFNVCWJZKP-SNVBAGLBSA-N -1 3 284.294 3.146 20 0 CGADHM CCCCC[C@H](C)Oc1n[n-]c(-c2ccncc2)n1 ZINC001228696918 817977126 /nfs/dbraw/zinc/97/71/26/817977126.db2.gz FQFMUGOOWJYQMO-NSHDSACASA-N -1 3 260.341 3.214 20 0 CGADHM Cc1cccc2c1[C@@H](Oc1n[n-]c(-c3ccncc3)n1)CC2 ZINC001228698395 817979683 /nfs/dbraw/zinc/97/96/83/817979683.db2.gz XPEPFTFSRVPLEW-AWEZNQCLSA-N -1 3 292.342 3.241 20 0 CGADHM Cc1cccc2c1[C@H](Oc1n[n-]c(-c3ccncc3)n1)CC2 ZINC001228698396 817979789 /nfs/dbraw/zinc/97/97/89/817979789.db2.gz XPEPFTFSRVPLEW-CQSZACIVSA-N -1 3 292.342 3.241 20 0 CGADHM C[C@H](Oc1cccc(-c2nnn[n-]2)c1)c1cccs1 ZINC001231114815 818032907 /nfs/dbraw/zinc/03/29/07/818032907.db2.gz ARERQHNVMIKTDK-VIFPVBQESA-N -1 3 272.333 3.068 20 0 CGADHM C[C@H](Oc1cccc(-c2nn[n-]n2)c1)c1cccs1 ZINC001231114815 818032917 /nfs/dbraw/zinc/03/29/17/818032917.db2.gz ARERQHNVMIKTDK-VIFPVBQESA-N -1 3 272.333 3.068 20 0 CGADHM C[C@@H](CCc1ccccc1)Oc1cccc(-c2nnn[n-]2)c1 ZINC001231118322 818036019 /nfs/dbraw/zinc/03/60/19/818036019.db2.gz LOYKXOAWSUICLY-ZDUSSCGKSA-N -1 3 294.358 3.267 20 0 CGADHM C[C@@H](CCc1ccccc1)Oc1cccc(-c2nn[n-]n2)c1 ZINC001231118322 818036025 /nfs/dbraw/zinc/03/60/25/818036025.db2.gz LOYKXOAWSUICLY-ZDUSSCGKSA-N -1 3 294.358 3.267 20 0 CGADHM Cc1ccc(CN(C)Cc2ccc(Cl)c([O-])c2)cn1 ZINC001231735840 818163932 /nfs/dbraw/zinc/16/39/32/818163932.db2.gz UVDIEDHUAVZZGD-UHFFFAOYSA-N -1 3 276.767 3.381 20 0 CGADHM CCOC1CCN(Cc2ccc(Cl)c([O-])c2)CC1 ZINC001231738550 818164015 /nfs/dbraw/zinc/16/40/15/818164015.db2.gz QNSHTOIGWHUGDG-UHFFFAOYSA-N -1 3 269.772 3.047 20 0 CGADHM C[C@H]1CCCCCN1Cc1cc([O-])c(F)c(F)c1 ZINC001232971322 818487268 /nfs/dbraw/zinc/48/72/68/818487268.db2.gz ITJOQDVSXZEPOF-JTQLQIEISA-N -1 3 255.308 3.435 20 0 CGADHM COc1ccc2c(c1)CN(Cc1cccc([O-])c1F)C2 ZINC001233053085 818513750 /nfs/dbraw/zinc/51/37/50/818513750.db2.gz JIYSTYPBTSBREJ-UHFFFAOYSA-N -1 3 273.307 3.056 20 0 CGADHM CCCN(Cc1c(F)ccc([O-])c1F)C1CCOCC1 ZINC001233396672 818611101 /nfs/dbraw/zinc/61/11/01/818611101.db2.gz OUTYVYNBOUGFNH-UHFFFAOYSA-N -1 3 285.334 3.061 20 0 CGADHM CO[C@@H](C)CO[C@H](C)COc1cc(Cl)c([O-])cc1C ZINC001233596280 818654078 /nfs/dbraw/zinc/65/40/78/818654078.db2.gz XDBWSRRNHMERAZ-WDEREUQCSA-N -1 3 288.771 3.173 20 0 CGADHM C[C@H](COc1ccc2occ([O-])c2c1)OCc1ccccc1 ZINC001233677788 818676958 /nfs/dbraw/zinc/67/69/58/818676958.db2.gz OAKLXNUDKJTRDK-CYBMUJFWSA-N -1 3 298.338 3.246 20 0 CGADHM CC(C)Oc1ncccc1COc1cccc([O-])c1F ZINC001233868784 818720523 /nfs/dbraw/zinc/72/05/23/818720523.db2.gz BCBDNYIEUZIQRU-UHFFFAOYSA-N -1 3 277.295 3.293 20 0 CGADHM CC[C@@H](Oc1cccc([O-])c1C(N)=O)c1ccccc1 ZINC001234147343 818790369 /nfs/dbraw/zinc/79/03/69/818790369.db2.gz PWTDSJPHUZDRMX-CYBMUJFWSA-N -1 3 271.316 3.021 20 0 CGADHM NC(=O)c1c([O-])cccc1O[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC001234148699 818791795 /nfs/dbraw/zinc/79/17/95/818791795.db2.gz JEKWCJUKCALKQV-YNEHKIRRSA-N -1 3 289.375 3.229 20 0 CGADHM CCC[C@H](CC(=O)OC)Oc1c(Cl)ccc([O-])c1F ZINC001234263475 818820170 /nfs/dbraw/zinc/82/01/70/818820170.db2.gz BSVXVWUQRDYIEU-MRVPVSSYSA-N -1 3 290.718 3.295 20 0 CGADHM C[C@@H](Oc1c(Cl)ccc([O-])c1F)c1ncccn1 ZINC001234263873 818820951 /nfs/dbraw/zinc/82/09/51/818820951.db2.gz JYOWNTYUNGWXJM-SSDOTTSWSA-N -1 3 268.675 3.115 20 0 CGADHM [O-]c1cccc2[nH]c(O[C@H]3CCc4ccccc43)nc21 ZINC001234449556 818859238 /nfs/dbraw/zinc/85/92/38/818859238.db2.gz PKRFPYCYWSSYIG-AWEZNQCLSA-N -1 3 266.300 3.335 20 0 CGADHM CC[C@@H](C)Oc1c(C)c([O-])cc(OC)c1C(C)=O ZINC001234791533 818924283 /nfs/dbraw/zinc/92/42/83/818924283.db2.gz OBABBCPFUURTQT-MRVPVSSYSA-N -1 3 252.310 3.089 20 0 CGADHM CC1(C)CC(=O)CC[C@H]1Oc1nc2ccsc2[n-]1 ZINC001234847816 818931832 /nfs/dbraw/zinc/93/18/32/818931832.db2.gz LRHDSMVYFZWYMK-SNVBAGLBSA-N -1 3 264.350 3.151 20 0 CGADHM CC1(C)CC(=O)CC[C@H]1Oc1nc2sccc2[n-]1 ZINC001234847816 818931836 /nfs/dbraw/zinc/93/18/36/818931836.db2.gz LRHDSMVYFZWYMK-SNVBAGLBSA-N -1 3 264.350 3.151 20 0 CGADHM Cc1cn2c(n1)[C@H](Oc1nc3ccsc3[n-]1)CCC2 ZINC001234846976 818932035 /nfs/dbraw/zinc/93/20/35/818932035.db2.gz FVCJYNTXVZQPCV-SNVBAGLBSA-N -1 3 274.349 3.043 20 0 CGADHM CC(=O)[C@@H](Oc1nc2ccsc2[n-]1)c1ccccc1 ZINC001234848261 818932251 /nfs/dbraw/zinc/93/22/51/818932251.db2.gz OOZWHNYNOXUVJP-GFCCVEGCSA-N -1 3 272.329 3.334 20 0 CGADHM COc1ccnc(-c2cc([O-])cc(Cl)c2)c1F ZINC001235898805 819208925 /nfs/dbraw/zinc/20/89/25/819208925.db2.gz DFHHFKMFTOXRBC-UHFFFAOYSA-N -1 3 253.660 3.255 20 0 CGADHM Cc1c[nH]c2ncnc(-c3cc([O-])cc(Cl)c3)c12 ZINC001235899688 819209761 /nfs/dbraw/zinc/20/97/61/819209761.db2.gz MVQNUOSFPZGKQP-UHFFFAOYSA-N -1 3 259.696 3.244 20 0 CGADHM COc1cc(-c2cc([O-])cc(Cl)c2)c(F)cn1 ZINC001235906215 819215496 /nfs/dbraw/zinc/21/54/96/819215496.db2.gz ITZIUIQMZCLDHY-UHFFFAOYSA-N -1 3 253.660 3.255 20 0 CGADHM COC(=O)c1nc2nc(-c3cccc(C4CC4)c3)ccc2[n-]1 ZINC001236088448 819309415 /nfs/dbraw/zinc/30/94/15/819309415.db2.gz VBPWIXRGLPQSML-UHFFFAOYSA-N -1 3 293.326 3.289 20 0 CGADHM COC(=O)c1nc2ccc(-c3cccc(C4CC4)c3)nc2[n-]1 ZINC001236088448 819309418 /nfs/dbraw/zinc/30/94/18/819309418.db2.gz VBPWIXRGLPQSML-UHFFFAOYSA-N -1 3 293.326 3.289 20 0 CGADHM COC(=O)c1nc2ccc(-c3cccc(C4CC4)c3)[n-]c-2n1 ZINC001236088448 819309425 /nfs/dbraw/zinc/30/94/25/819309425.db2.gz VBPWIXRGLPQSML-UHFFFAOYSA-N -1 3 293.326 3.289 20 0 CGADHM CCOc1ccc(C)c(F)c1-c1ccc(=S)[n-]n1 ZINC001236524222 819516007 /nfs/dbraw/zinc/51/60/07/819516007.db2.gz MBOFPSGRSAIYQR-UHFFFAOYSA-N -1 3 264.325 3.279 20 0 CGADHM C[C@H]1CCCN(Cc2ccc(Br)c([O-])c2)C1 ZINC001236692471 819575508 /nfs/dbraw/zinc/57/55/08/819575508.db2.gz QCDIFPYEVOKKQA-JTQLQIEISA-N -1 3 284.197 3.387 20 0 CGADHM C[C@]1(CF)CC(F)(F)CN1Cc1ccc(F)c([O-])c1 ZINC001236702740 819577613 /nfs/dbraw/zinc/57/76/13/819577613.db2.gz LMQRAJCPEREZKT-GFCCVEGCSA-N -1 3 277.261 3.101 20 0 CGADHM [O-]c1cc(CN2CCC[C@H](C(F)F)C2)ccc1F ZINC001236705288 819577714 /nfs/dbraw/zinc/57/77/14/819577714.db2.gz JSZGPGYERYOWAJ-JTQLQIEISA-N -1 3 259.271 3.008 20 0 CGADHM [O-]c1cc(CN2CCc3ccc(F)cc3C2)ccc1F ZINC001236711311 819578961 /nfs/dbraw/zinc/57/89/61/819578961.db2.gz RZLCGIHVWXYUMC-UHFFFAOYSA-N -1 3 275.298 3.229 20 0 CGADHM FC(F)(F)[C@@H]1CCCCN1Cc1occc1[S-] ZINC001237180477 819687884 /nfs/dbraw/zinc/68/78/84/819687884.db2.gz XQHPXYSEFRSZAX-JTQLQIEISA-N -1 3 265.300 3.485 20 0 CGADHM C[Si](C)(C)c1cccnc1-c1cccc([O-])c1F ZINC001243541728 823435898 /nfs/dbraw/zinc/43/58/98/823435898.db2.gz HUBLMNWPWDWTJW-UHFFFAOYSA-N -1 3 261.372 3.139 20 0 CGADHM CC1(C)Cc2cc(-c3cccc([O-])c3F)ccc2C(=O)N1 ZINC001243548756 823440321 /nfs/dbraw/zinc/44/03/21/823440321.db2.gz HRAORNIIPGFVHH-UHFFFAOYSA-N -1 3 285.318 3.263 20 0 CGADHM Cc1ccc2c(c1)ncnc2-c1cccc([O-])c1F ZINC001243543079 823436645 /nfs/dbraw/zinc/43/66/45/823436645.db2.gz NHORHEOHPOUBNB-UHFFFAOYSA-N -1 3 254.264 3.450 20 0 CGADHM CSc1ncc(C)c(-c2cccc([O-])c2F)n1 ZINC001243542186 823436898 /nfs/dbraw/zinc/43/68/98/823436898.db2.gz IKMBQFPZMOWOLW-UHFFFAOYSA-N -1 3 250.298 3.019 20 0 CGADHM CC1CCN(c2ccc(-c3cccc([O-])c3F)nn2)CC1 ZINC001243544669 823437031 /nfs/dbraw/zinc/43/70/31/823437031.db2.gz ULTHOCJWQFEEAT-UHFFFAOYSA-N -1 3 287.338 3.225 20 0 CGADHM [O-]c1cccc(-c2cnc3cc(F)c(F)cc3n2)c1F ZINC001243544624 823437296 /nfs/dbraw/zinc/43/72/96/823437296.db2.gz SMPQJJQUFFWPOZ-UHFFFAOYSA-N -1 3 276.217 3.420 20 0 CGADHM COc1c(F)cc(F)cc1-c1cccc([O-])c1F ZINC001243545029 823437334 /nfs/dbraw/zinc/43/73/34/823437334.db2.gz OFRSSOSXQGQEIR-UHFFFAOYSA-N -1 3 254.207 3.485 20 0 CGADHM CC(=O)Nc1ccc(C)cc1-c1cccc([O-])c1F ZINC001243546366 823438614 /nfs/dbraw/zinc/43/86/14/823438614.db2.gz GFEFRLFDZGGKDW-UHFFFAOYSA-N -1 3 259.280 3.465 20 0 CGADHM NC(=O)c1cc2cc(-c3cccc([O-])c3F)ccc2o1 ZINC001243546885 823438953 /nfs/dbraw/zinc/43/89/53/823438953.db2.gz KJQXLTQWCIJTGK-UHFFFAOYSA-N -1 3 271.247 3.043 20 0 CGADHM [O-]c1cccc(-c2ccc(-c3nnco3)cc2)c1F ZINC001243546522 823439204 /nfs/dbraw/zinc/43/92/04/823439204.db2.gz INAAGUODXSZIGU-UHFFFAOYSA-N -1 3 256.236 3.248 20 0 CGADHM [O-]c1cccc(-c2ccccc2C2OCCO2)c1F ZINC001243547831 823439636 /nfs/dbraw/zinc/43/96/36/823439636.db2.gz XPAGOCOHUOVLEK-UHFFFAOYSA-N -1 3 260.264 3.244 20 0 CGADHM CC(C)OC(=O)c1cccnc1-c1cccc([O-])c1F ZINC001243547278 823439753 /nfs/dbraw/zinc/43/97/53/823439753.db2.gz UZXBKFFZAYGEPJ-UHFFFAOYSA-N -1 3 275.279 3.159 20 0 CGADHM O=C(c1cccc(-c2cccc([O-])c2F)c1)N1CCCC1 ZINC001243547234 823439905 /nfs/dbraw/zinc/43/99/05/823439905.db2.gz OHFGPQUMHWUOOG-UHFFFAOYSA-N -1 3 285.318 3.434 20 0 CGADHM COc1ccc(-c2cccc([O-])c2F)c(OC)c1F ZINC001243547012 823439909 /nfs/dbraw/zinc/43/99/09/823439909.db2.gz YBZDEHMFLUQXEC-UHFFFAOYSA-N -1 3 266.243 3.355 20 0 CGADHM COc1ccc(-c2ccc(C(F)(F)F)cc2[O-])c(OC)n1 ZINC001243605722 823464218 /nfs/dbraw/zinc/46/42/18/823464218.db2.gz KFYQOEAWLADRDC-UHFFFAOYSA-N -1 3 299.248 3.490 20 0 CGADHM Cn1cc(-c2cccc(-c3nnn[n-]3)c2)c2ccccc21 ZINC001239538876 820393459 /nfs/dbraw/zinc/39/34/59/820393459.db2.gz WFIKDUKCTQNCJR-UHFFFAOYSA-N -1 3 275.315 3.025 20 0 CGADHM Cn1cc(-c2cccc(-c3nn[n-]n3)c2)c2ccccc21 ZINC001239538876 820393471 /nfs/dbraw/zinc/39/34/71/820393471.db2.gz WFIKDUKCTQNCJR-UHFFFAOYSA-N -1 3 275.315 3.025 20 0 CGADHM Cc1cccc(C)c1-c1cc(-c2nnn[n-]2)ccc1F ZINC001239597510 820443942 /nfs/dbraw/zinc/44/39/42/820443942.db2.gz IMRINOABKJJAFT-UHFFFAOYSA-N -1 3 268.295 3.290 20 0 CGADHM Cc1cccc(C)c1-c1cc(-c2nn[n-]n2)ccc1F ZINC001239597510 820443944 /nfs/dbraw/zinc/44/39/44/820443944.db2.gz IMRINOABKJJAFT-UHFFFAOYSA-N -1 3 268.295 3.290 20 0 CGADHM c1cc2cc(-c3ccccc3-c3nnn[n-]3)ccc2[nH]1 ZINC001239696095 820527421 /nfs/dbraw/zinc/52/74/21/820527421.db2.gz VEIUJIHPEGEWFL-UHFFFAOYSA-N -1 3 261.288 3.015 20 0 CGADHM c1cc2cc(-c3ccccc3-c3nn[n-]n3)ccc2[nH]1 ZINC001239696095 820527423 /nfs/dbraw/zinc/52/74/23/820527423.db2.gz VEIUJIHPEGEWFL-UHFFFAOYSA-N -1 3 261.288 3.015 20 0 CGADHM COc1ccc(C)cc1-c1ccc(-c2nnn[n-]2)cc1C ZINC001239769680 820590583 /nfs/dbraw/zinc/59/05/83/820590583.db2.gz ATYFHLMOMMLITP-UHFFFAOYSA-N -1 3 280.331 3.159 20 0 CGADHM COc1ccc(C)cc1-c1ccc(-c2nn[n-]n2)cc1C ZINC001239769680 820590587 /nfs/dbraw/zinc/59/05/87/820590587.db2.gz ATYFHLMOMMLITP-UHFFFAOYSA-N -1 3 280.331 3.159 20 0 CGADHM Cc1ccc(-c2cc(-c3nnn[n-]3)ccc2F)c(C)c1 ZINC001239810809 820626427 /nfs/dbraw/zinc/62/64/27/820626427.db2.gz HZIJRZGCVHEDMQ-UHFFFAOYSA-N -1 3 268.295 3.290 20 0 CGADHM Cc1ccc(-c2cc(-c3nn[n-]n3)ccc2F)c(C)c1 ZINC001239810809 820626432 /nfs/dbraw/zinc/62/64/32/820626432.db2.gz HZIJRZGCVHEDMQ-UHFFFAOYSA-N -1 3 268.295 3.290 20 0 CGADHM S=c1ccc(-c2cccnc2-c2ccccc2)n[n-]1 ZINC001239872178 820674753 /nfs/dbraw/zinc/67/47/53/820674753.db2.gz OIDYNJXHBDMKHR-UHFFFAOYSA-N -1 3 265.341 3.494 20 0 CGADHM Fc1ccc(-c2nnn[n-]2)cc1-c1cncc2ccccc21 ZINC001239946798 820727899 /nfs/dbraw/zinc/72/78/99/820727899.db2.gz FHLFEZSRLNJMDW-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Fc1ccc(-c2nn[n-]n2)cc1-c1cncc2ccccc21 ZINC001239946798 820727903 /nfs/dbraw/zinc/72/79/03/820727903.db2.gz FHLFEZSRLNJMDW-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM FC(F)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC001240769211 821314367 /nfs/dbraw/zinc/31/43/67/821314367.db2.gz DMGDODZKSZJBFD-UHFFFAOYSA-N -1 3 272.258 3.471 20 0 CGADHM FC(F)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC001240769211 821314378 /nfs/dbraw/zinc/31/43/78/821314378.db2.gz DMGDODZKSZJBFD-UHFFFAOYSA-N -1 3 272.258 3.471 20 0 CGADHM Cc1cc(-c2nnn[n-]2)ccc1-c1ccc2cc[nH]c2c1 ZINC001240799784 821343276 /nfs/dbraw/zinc/34/32/76/821343276.db2.gz GUOPKWBBMWFNGZ-UHFFFAOYSA-N -1 3 275.315 3.323 20 0 CGADHM Cc1cc(-c2nn[n-]n2)ccc1-c1ccc2cc[nH]c2c1 ZINC001240799784 821343280 /nfs/dbraw/zinc/34/32/80/821343280.db2.gz GUOPKWBBMWFNGZ-UHFFFAOYSA-N -1 3 275.315 3.323 20 0 CGADHM Cc1cc(-c2nnn[n-]2)ccc1-c1ccc2c(c1)CCCO2 ZINC001240775997 821319611 /nfs/dbraw/zinc/31/96/11/821319611.db2.gz OMRCVMVBSZTIOW-UHFFFAOYSA-N -1 3 292.342 3.167 20 0 CGADHM Cc1cc(-c2nn[n-]n2)ccc1-c1ccc2c(c1)CCCO2 ZINC001240775997 821319621 /nfs/dbraw/zinc/31/96/21/821319621.db2.gz OMRCVMVBSZTIOW-UHFFFAOYSA-N -1 3 292.342 3.167 20 0 CGADHM COC(=O)c1cc2cccc(-c3ccc([O-])c(F)c3)c2[nH]1 ZINC001240786914 821326080 /nfs/dbraw/zinc/32/60/80/821326080.db2.gz BLYYCEPVSRTSFA-UHFFFAOYSA-N -1 3 285.274 3.466 20 0 CGADHM Cc1cc(-c2ccc([O-])c(F)c2)ccc1N1CCOCC1 ZINC001240786540 821327741 /nfs/dbraw/zinc/32/77/41/821327741.db2.gz MENXZKVERZEMMF-UHFFFAOYSA-N -1 3 287.334 3.343 20 0 CGADHM COC(=O)c1cc(-c2ccc([O-])c(F)c2)cc2cc[nH]c21 ZINC001240787075 821329682 /nfs/dbraw/zinc/32/96/82/821329682.db2.gz KDLMLCJMTZHRRL-UHFFFAOYSA-N -1 3 285.274 3.466 20 0 CGADHM COC(=O)C(C)(C)c1ccnc(-c2ccc([O-])c(F)c2)c1 ZINC001240787499 821329721 /nfs/dbraw/zinc/32/97/21/821329721.db2.gz HTOJSLBTEYAKIM-UHFFFAOYSA-N -1 3 289.306 3.044 20 0 CGADHM CCOC(=O)c1c(OC)cccc1-c1ccc([O-])c(F)c1 ZINC001240788772 821330881 /nfs/dbraw/zinc/33/08/81/821330881.db2.gz KEGBTENOCVICLI-UHFFFAOYSA-N -1 3 290.290 3.384 20 0 CGADHM Fc1ccc(-c2ccc(F)c(-c3nnn[n-]3)c2)c(F)c1F ZINC001240992688 821474011 /nfs/dbraw/zinc/47/40/11/821474011.db2.gz LVSKDYVSKUMRQG-UHFFFAOYSA-N -1 3 294.211 3.090 20 0 CGADHM Fc1ccc(-c2ccc(F)c(-c3nn[n-]n3)c2)c(F)c1F ZINC001240992688 821474014 /nfs/dbraw/zinc/47/40/14/821474014.db2.gz LVSKDYVSKUMRQG-UHFFFAOYSA-N -1 3 294.211 3.090 20 0 CGADHM [O-]c1ccccc1-c1cccc(OC(F)(F)F)n1 ZINC001241002323 821480763 /nfs/dbraw/zinc/48/07/63/821480763.db2.gz ZYUPCPODFRIXGT-UHFFFAOYSA-N -1 3 255.195 3.353 20 0 CGADHM COc1cc2ncnc(-c3ccccc3[O-])c2cc1OC ZINC001241002025 821481012 /nfs/dbraw/zinc/48/10/12/821481012.db2.gz PRHVMDZDZUWHFI-UHFFFAOYSA-N -1 3 282.299 3.020 20 0 CGADHM CC(C)(C)OC(=O)Cc1cccnc1-c1ccccc1[O-] ZINC001241008924 821485823 /nfs/dbraw/zinc/48/58/23/821485823.db2.gz MCJWQXPRSLUZLG-UHFFFAOYSA-N -1 3 285.343 3.338 20 0 CGADHM COc1nnc(-c2ccc(C)cc2[O-])c2ccccc21 ZINC001241035723 821511624 /nfs/dbraw/zinc/51/16/24/821511624.db2.gz FEBLCLVSWLUJCA-UHFFFAOYSA-N -1 3 266.300 3.319 20 0 CGADHM Cc1ccc(C)c(-c2ccc(-c3nnn[n-]3)cc2C)c1 ZINC001241193166 821629812 /nfs/dbraw/zinc/62/98/12/821629812.db2.gz OWYLTYJCTODVNI-UHFFFAOYSA-N -1 3 264.332 3.459 20 0 CGADHM Cc1ccc(C)c(-c2ccc(-c3nn[n-]n3)cc2C)c1 ZINC001241193166 821629817 /nfs/dbraw/zinc/62/98/17/821629817.db2.gz OWYLTYJCTODVNI-UHFFFAOYSA-N -1 3 264.332 3.459 20 0 CGADHM O=C([O-])c1cc(-c2cncc3cc[nH]c32)ccc1F ZINC001241245607 821666895 /nfs/dbraw/zinc/66/68/95/821666895.db2.gz MGRHCYKAMBZPNR-UHFFFAOYSA-N -1 3 256.236 3.067 20 0 CGADHM [O-]c1cc(F)cc(-c2cc(-c3ccco3)ncn2)c1 ZINC001241261381 821681341 /nfs/dbraw/zinc/68/13/41/821681341.db2.gz MEHGPOOCBDIYSA-UHFFFAOYSA-N -1 3 256.236 3.248 20 0 CGADHM COc1cnc(-c2cc([O-])cc(F)c2)c2[nH]ccc21 ZINC001241262759 821682189 /nfs/dbraw/zinc/68/21/89/821682189.db2.gz SRZKRPIXXFBFRH-UHFFFAOYSA-N -1 3 258.252 3.083 20 0 CGADHM COc1ncnc2ccc(-c3cc([O-])cc(F)c3)cc21 ZINC001241266417 821685767 /nfs/dbraw/zinc/68/57/67/821685767.db2.gz JYYATIKMTRJEBS-UHFFFAOYSA-N -1 3 270.263 3.150 20 0 CGADHM [O-]c1cc(F)cc(-c2ccc3c(c2)[C@H](O)CCO3)c1 ZINC001241270815 821688798 /nfs/dbraw/zinc/68/87/98/821688798.db2.gz BCCRXUOYTZEQQW-CQSZACIVSA-N -1 3 260.264 3.014 20 0 CGADHM COC(=O)C1(c2ccc(-c3cc([O-])cc(F)c3)cc2)CC1 ZINC001241271848 821690222 /nfs/dbraw/zinc/69/02/22/821690222.db2.gz UHMKGHWQYCZBSH-UHFFFAOYSA-N -1 3 286.302 3.403 20 0 CGADHM CC(=O)Nc1ccc(-c2cc([O-])cc(F)c2)c(C)c1 ZINC001241271170 821690234 /nfs/dbraw/zinc/69/02/34/821690234.db2.gz MCKFZHFSWCETNM-UHFFFAOYSA-N -1 3 259.280 3.465 20 0 CGADHM [O-]c1cc(F)cc(-c2cccc(N3CCOCC3)c2)c1 ZINC001241271531 821690370 /nfs/dbraw/zinc/69/03/70/821690370.db2.gz HHINPVKQHRXLCI-UHFFFAOYSA-N -1 3 273.307 3.035 20 0 CGADHM [O-]c1cc(F)cc(-c2ccccc2Cn2ccnc2)c1 ZINC001241271965 821691293 /nfs/dbraw/zinc/69/12/93/821691293.db2.gz WUZRAHKDQQCSMR-UHFFFAOYSA-N -1 3 268.291 3.443 20 0 CGADHM CCS(=O)(=O)c1ccc(F)c(-c2cc([O-])cc(F)c2)c1 ZINC001241278017 821696325 /nfs/dbraw/zinc/69/63/25/821696325.db2.gz TZHLXZOZSKBRGZ-UHFFFAOYSA-N -1 3 298.310 3.131 20 0 CGADHM CCOc1ccc(-c2ccc(-c3nnn[n-]3)cc2C)c(F)c1 ZINC001241278157 821696396 /nfs/dbraw/zinc/69/63/96/821696396.db2.gz ZYJDKMZMIQONCO-UHFFFAOYSA-N -1 3 298.321 3.380 20 0 CGADHM CCOc1ccc(-c2ccc(-c3nn[n-]n3)cc2C)c(F)c1 ZINC001241278157 821696399 /nfs/dbraw/zinc/69/63/99/821696399.db2.gz ZYJDKMZMIQONCO-UHFFFAOYSA-N -1 3 298.321 3.380 20 0 CGADHM COC(=O)c1nc2cc(-c3cc([O-])cc(F)c3)ccc2o1 ZINC001241277539 821696427 /nfs/dbraw/zinc/69/64/27/821696427.db2.gz KWDZSRGQPYFCOE-UHFFFAOYSA-N -1 3 287.246 3.126 20 0 CGADHM COCc1cc(-c2cc([O-])cc(F)c2)ccc1F ZINC001241277576 821696719 /nfs/dbraw/zinc/69/67/19/821696719.db2.gz LPUKXQLCTPOFKV-UHFFFAOYSA-N -1 3 250.244 3.484 20 0 CGADHM COC(=O)c1c(C)cc(F)cc1-c1cc([O-])cc(F)c1 ZINC001241277721 821696734 /nfs/dbraw/zinc/69/67/34/821696734.db2.gz PVRRHPRWHQARMV-UHFFFAOYSA-N -1 3 278.254 3.432 20 0 CGADHM CCOc1ncccc1-c1c(F)ccc([O-])c1F ZINC001241292920 821711277 /nfs/dbraw/zinc/71/12/77/821711277.db2.gz NNYGZGBESGTHME-UHFFFAOYSA-N -1 3 251.232 3.131 20 0 CGADHM COc1ccc(-c2c(F)ccc([O-])c2F)c(OC)c1F ZINC001241295574 821714290 /nfs/dbraw/zinc/71/42/90/821714290.db2.gz VCBBEENDIYTSLS-UHFFFAOYSA-N -1 3 284.233 3.494 20 0 CGADHM CC(C)(F)c1ccnc(-c2ccc(-c3nnn[n-]3)cc2)c1 ZINC001241443074 821835819 /nfs/dbraw/zinc/83/58/19/821835819.db2.gz MJHSZNYBKHAPPW-UHFFFAOYSA-N -1 3 283.310 3.133 20 0 CGADHM CC(C)(F)c1ccnc(-c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001241443074 821835829 /nfs/dbraw/zinc/83/58/29/821835829.db2.gz MJHSZNYBKHAPPW-UHFFFAOYSA-N -1 3 283.310 3.133 20 0 CGADHM c1nc2cc(-c3ccccc3-c3nnn[n-]3)ccc2s1 ZINC001241867551 822185881 /nfs/dbraw/zinc/18/58/81/822185881.db2.gz XHHLLRYRYFBGBU-UHFFFAOYSA-N -1 3 279.328 3.143 20 0 CGADHM c1nc2cc(-c3ccccc3-c3nn[n-]n3)ccc2s1 ZINC001241867551 822185883 /nfs/dbraw/zinc/18/58/83/822185883.db2.gz XHHLLRYRYFBGBU-UHFFFAOYSA-N -1 3 279.328 3.143 20 0 CGADHM Cc1cc(-c2nnn[n-]2)ccc1-c1ccc2scnc2c1 ZINC001241871906 822188959 /nfs/dbraw/zinc/18/89/59/822188959.db2.gz XNUSLHLXKWAFMD-UHFFFAOYSA-N -1 3 293.355 3.452 20 0 CGADHM Cc1cc(-c2nn[n-]n2)ccc1-c1ccc2scnc2c1 ZINC001241871906 822188963 /nfs/dbraw/zinc/18/89/63/822188963.db2.gz XNUSLHLXKWAFMD-UHFFFAOYSA-N -1 3 293.355 3.452 20 0 CGADHM C=Cc1ccccc1-c1ccc2[n-]c(C(=O)OC)nc2n1 ZINC001242010773 822275301 /nfs/dbraw/zinc/27/53/01/822275301.db2.gz RNTFAMBZCHCHDV-UHFFFAOYSA-N -1 3 279.299 3.055 20 0 CGADHM C=Cc1ccccc1-c1ccc2nc(C(=O)OC)nc-2[n-]1 ZINC001242010773 822275307 /nfs/dbraw/zinc/27/53/07/822275307.db2.gz RNTFAMBZCHCHDV-UHFFFAOYSA-N -1 3 279.299 3.055 20 0 CGADHM C=Cc1ccccc1-c1ccc2nc(C(=O)OC)[n-]c2n1 ZINC001242010773 822275314 /nfs/dbraw/zinc/27/53/14/822275314.db2.gz RNTFAMBZCHCHDV-UHFFFAOYSA-N -1 3 279.299 3.055 20 0 CGADHM Nc1ccc(-c2ccc([O-])c(C(F)(F)F)c2)cn1 ZINC001242157050 822898541 /nfs/dbraw/zinc/89/85/41/822898541.db2.gz DBXDQVNKJMXGGQ-UHFFFAOYSA-N -1 3 254.211 3.055 20 0 CGADHM [O-]c1ccc(-c2cnc3nccn3c2)cc1C(F)(F)F ZINC001242157428 822899336 /nfs/dbraw/zinc/89/93/36/822899336.db2.gz FZHAWOIHVBZAHI-UHFFFAOYSA-N -1 3 279.221 3.121 20 0 CGADHM COc1c(F)cc(-c2ccc(F)cc2[O-])cc1F ZINC001242217621 822914753 /nfs/dbraw/zinc/91/47/53/822914753.db2.gz HEMARYGPVXSDKE-UHFFFAOYSA-N -1 3 254.207 3.485 20 0 CGADHM CCOC(=O)COc1ccccc1-c1ccc(F)cc1[O-] ZINC001242219255 822915546 /nfs/dbraw/zinc/91/55/46/822915546.db2.gz PMUOCGNCXMCULE-UHFFFAOYSA-N -1 3 290.290 3.140 20 0 CGADHM CCOC(=O)c1ccc(-c2ccc(F)cc2[O-])c(C)n1 ZINC001242219060 822915645 /nfs/dbraw/zinc/91/56/45/822915645.db2.gz WIWIAYORMSWTOR-UHFFFAOYSA-N -1 3 275.279 3.078 20 0 CGADHM CC1(C)C(=O)Nc2ccc(-c3ccc(F)cc3[O-])cc21 ZINC001242219127 822915876 /nfs/dbraw/zinc/91/58/76/822915876.db2.gz YDVQWZPQCDMRAL-UHFFFAOYSA-N -1 3 271.291 3.428 20 0 CGADHM CC(=O)Nc1ccc(-c2ccc(F)cc2[O-])cc1C ZINC001242220596 822916825 /nfs/dbraw/zinc/91/68/25/822916825.db2.gz GRXLLEMBQANOFO-UHFFFAOYSA-N -1 3 259.280 3.465 20 0 CGADHM CC1(C)CC=C(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC001242329003 822952656 /nfs/dbraw/zinc/95/26/56/822952656.db2.gz GSZDTKQTLXFZLE-UHFFFAOYSA-N -1 3 254.337 3.460 20 0 CGADHM CC1(C)CC=C(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001242329003 822952659 /nfs/dbraw/zinc/95/26/59/822952659.db2.gz GSZDTKQTLXFZLE-UHFFFAOYSA-N -1 3 254.337 3.460 20 0 CGADHM COC(=O)c1cccc(-c2cccc(F)c2[O-])c1C ZINC001242351411 822961203 /nfs/dbraw/zinc/96/12/03/822961203.db2.gz UYWMSBLGFDWBRU-UHFFFAOYSA-N -1 3 260.264 3.293 20 0 CGADHM O=c1ccc(-c2cccc(F)c2[O-])cn1Cc1ccccc1 ZINC001242352091 822961714 /nfs/dbraw/zinc/96/17/14/822961714.db2.gz LTRNRPCOFJJZKG-UHFFFAOYSA-N -1 3 295.313 3.408 20 0 CGADHM [O-]c1c(F)cccc1-c1ccc(OCC2CC2)nc1 ZINC001242352309 822961989 /nfs/dbraw/zinc/96/19/89/822961989.db2.gz RGECVUGFDOLWKL-UHFFFAOYSA-N -1 3 259.280 3.382 20 0 CGADHM O=C1CCc2ccc(-c3cccc(F)c3[O-])cc2N1 ZINC001242351616 822962101 /nfs/dbraw/zinc/96/21/01/822962101.db2.gz YYIWGRVAYWKUMP-UHFFFAOYSA-N -1 3 257.264 3.083 20 0 CGADHM CC(C)S(=O)(=O)c1ccc(-c2cccc(F)c2[O-])cc1 ZINC001242352746 822962421 /nfs/dbraw/zinc/96/24/21/822962421.db2.gz PJBWYRYANULGNS-UHFFFAOYSA-N -1 3 294.347 3.380 20 0 CGADHM CC1(C)C(=O)Nc2cc(-c3cccc(F)c3[O-])ccc21 ZINC001242352467 822962823 /nfs/dbraw/zinc/96/28/23/822962823.db2.gz JOGYKDOXTJHBQR-UHFFFAOYSA-N -1 3 271.291 3.428 20 0 CGADHM [O-]c1c(F)cccc1-c1ccc2c(c1)CCC21OCCO1 ZINC001242354266 822963229 /nfs/dbraw/zinc/96/32/29/822963229.db2.gz UXPAPTFPWAVODE-UHFFFAOYSA-N -1 3 286.302 3.344 20 0 CGADHM C[C@@H](CCCC(=O)[O-])NCc1nc(C(C)(C)C)cs1 ZINC001351742362 937024161 /nfs/dbraw/zinc/02/41/61/937024161.db2.gz KXNXMMZBLGSQLF-JTQLQIEISA-N -1 3 284.425 3.174 20 0 CGADHM [O-]c1cccc(OC[C@H]2CCCCO2)c1Br ZINC001229144048 927323280 /nfs/dbraw/zinc/32/32/80/927323280.db2.gz ZWVHZGWINUUSAO-SECBINFHSA-N -1 3 287.153 3.103 20 0 CGADHM O=c1nc(Cl)cc(N2CCc3ccc(Cl)cc32)[n-]1 ZINC001364543235 927960017 /nfs/dbraw/zinc/96/00/17/927960017.db2.gz NWRXYXNDTLVYAO-UHFFFAOYSA-N -1 3 282.130 3.183 20 0 CGADHM Cc1sc(Cl)nc1C(=O)Nc1cccc([O-])c1F ZINC001545835923 937248375 /nfs/dbraw/zinc/24/83/75/937248375.db2.gz USJJKVXAFUNCKM-UHFFFAOYSA-N -1 3 286.715 3.202 20 0 CGADHM CCCCN(Cc1nc(=O)c2sccc2[n-]1)C1CC1 ZINC001412942432 928722852 /nfs/dbraw/zinc/72/28/52/928722852.db2.gz JBPFXDQWZMKNOO-UHFFFAOYSA-N -1 3 277.393 3.161 20 0 CGADHM CC(C)c1ccccc1C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC001439510511 937318040 /nfs/dbraw/zinc/31/80/40/937318040.db2.gz KHQUDJFVFTXNDR-UHFFFAOYSA-N -1 3 296.330 3.440 20 0 CGADHM COc1ccc(CCCNC(=O)c2c(C)cccc2[O-])cc1 ZINC001442093400 937340698 /nfs/dbraw/zinc/34/06/98/937340698.db2.gz WQCPCXNPEOSRCS-UHFFFAOYSA-N -1 3 299.370 3.072 20 0 CGADHM C/C(=C\c1cccnc1)C(=O)Nc1cc(Cl)ccc1[O-] ZINC001446527540 937363394 /nfs/dbraw/zinc/36/33/94/937363394.db2.gz QVCBVQMLXPMABQ-JXMROGBWSA-N -1 3 288.734 3.483 20 0 CGADHM C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)Nc1cc(Cl)ccc1[O-] ZINC001446530292 937363742 /nfs/dbraw/zinc/36/37/42/937363742.db2.gz WVIHKJRVUVETFI-DQDDRIPDSA-N -1 3 265.740 3.276 20 0 CGADHM CC(C)Cc1ccc(CCC(=O)[N-]OC(C)C)cc1 ZINC001450274377 937384821 /nfs/dbraw/zinc/38/48/21/937384821.db2.gz PLEWVYCRMFWUGZ-UHFFFAOYSA-N -1 3 263.381 3.274 20 0 CGADHM O=C(NCC1(c2cccc(F)c2)CCC1)c1ccccc1[O-] ZINC001455540199 937418866 /nfs/dbraw/zinc/41/88/66/937418866.db2.gz PYDHTSQNGKDGCC-UHFFFAOYSA-N -1 3 299.345 3.383 20 0 CGADHM Cc1cccc(F)c1NC(=O)c1c[n-]c2ccccc2c1=O ZINC001458368582 937460143 /nfs/dbraw/zinc/46/01/43/937460143.db2.gz JDGUTMNQEASLGT-UHFFFAOYSA-N -1 3 296.301 3.228 20 0 CGADHM COc1cc(-c2nnn[n-]2)ccc1O[C@H](C)CCC(C)C ZINC001229338040 932135859 /nfs/dbraw/zinc/13/58/59/932135859.db2.gz RNCACRYREAOAOE-LLVKDONJSA-N -1 3 290.367 3.079 20 0 CGADHM COc1cc(-c2nn[n-]n2)ccc1O[C@H](C)CCC(C)C ZINC001229338040 932135864 /nfs/dbraw/zinc/13/58/64/932135864.db2.gz RNCACRYREAOAOE-LLVKDONJSA-N -1 3 290.367 3.079 20 0 CGADHM CCCC[C@@H](CC)Oc1ccc(-c2nnn[n-]2)cc1OC ZINC001229337634 932136312 /nfs/dbraw/zinc/13/63/12/932136312.db2.gz IENYFPWEWMVCTI-GFCCVEGCSA-N -1 3 290.367 3.223 20 0 CGADHM CCCC[C@@H](CC)Oc1ccc(-c2nn[n-]n2)cc1OC ZINC001229337634 932136314 /nfs/dbraw/zinc/13/63/14/932136314.db2.gz IENYFPWEWMVCTI-GFCCVEGCSA-N -1 3 290.367 3.223 20 0 CGADHM Cc1csc2[n-]c(=S)nc(O[C@H]3CCO[C@@H](C)C3)c12 ZINC001229351595 932137571 /nfs/dbraw/zinc/13/75/71/932137571.db2.gz BXQDEOSZTWIQSS-IUCAKERBSA-N -1 3 296.417 3.235 20 0 CGADHM C[C@@H](O)CC(=O)Oc1cc([O-])cc(/C=C/c2ccccc2)c1 ZINC001229671169 932186856 /nfs/dbraw/zinc/18/68/56/932186856.db2.gz MBCHZHBIMJKWLO-SBDDDAINSA-N -1 3 298.338 3.239 20 0 CGADHM CCO[C@@H]1C[C@@H](N(C)Cc2ccc([O-])c(F)c2F)C1(C)C ZINC001461860116 937601794 /nfs/dbraw/zinc/60/17/94/937601794.db2.gz NRBCACOVZQVFLB-CHWSQXEVSA-N -1 3 299.361 3.306 20 0 CGADHM C[C@@H]1CC[C@@H](C)[C@@H](Oc2ccccc2-c2nnn[n-]2)C1 ZINC001229954763 932510139 /nfs/dbraw/zinc/51/01/39/932510139.db2.gz OXQNJLIFCDDFKR-GYSYKLTISA-N -1 3 272.352 3.070 20 0 CGADHM C[C@@H]1CC[C@@H](C)[C@@H](Oc2ccccc2-c2nn[n-]n2)C1 ZINC001229954763 932510141 /nfs/dbraw/zinc/51/01/41/932510141.db2.gz OXQNJLIFCDDFKR-GYSYKLTISA-N -1 3 272.352 3.070 20 0 CGADHM C[C@@H]1CC[C@H](Oc2ccccc2-c2nnn[n-]2)C[C@@H]1C ZINC001229954943 932510223 /nfs/dbraw/zinc/51/02/23/932510223.db2.gz PXIRJTSUYQKRCN-WOPDTQHZSA-N -1 3 272.352 3.070 20 0 CGADHM C[C@@H]1CC[C@H](Oc2ccccc2-c2nn[n-]n2)C[C@@H]1C ZINC001229954943 932510228 /nfs/dbraw/zinc/51/02/28/932510228.db2.gz PXIRJTSUYQKRCN-WOPDTQHZSA-N -1 3 272.352 3.070 20 0 CGADHM CCC[C@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC001229954604 932510264 /nfs/dbraw/zinc/51/02/64/932510264.db2.gz NJAJBEVVSRGIER-LBPRGKRZSA-N -1 3 260.341 3.070 20 0 CGADHM CCC[C@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC001229954604 932510266 /nfs/dbraw/zinc/51/02/66/932510266.db2.gz NJAJBEVVSRGIER-LBPRGKRZSA-N -1 3 260.341 3.070 20 0 CGADHM CC[C@@H](C)C[C@H](CC)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001231072461 932671645 /nfs/dbraw/zinc/67/16/45/932671645.db2.gz CPYUDCGUSYDKJO-YPMHNXCESA-N -1 3 274.368 3.460 20 0 CGADHM CCOC(=O)c1c(Cl)[n-]c(=O)cc1OC(CC)CC ZINC001231091422 932676985 /nfs/dbraw/zinc/67/69/85/932676985.db2.gz VKVSCFSLEKJBFV-UHFFFAOYSA-N -1 3 287.743 3.185 20 0 CGADHM Cc1ccc(C(=O)N[C@@H]2CCSC(C)(C)C2)c([O-])c1 ZINC001304095201 932842744 /nfs/dbraw/zinc/84/27/44/932842744.db2.gz PTYOCMFIBQABKN-LLVKDONJSA-N -1 3 279.405 3.105 20 0 CGADHM CCc1ccc(C)nc1NC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC001306875112 932891006 /nfs/dbraw/zinc/89/10/06/932891006.db2.gz LWEJHISLSZZKER-UHFFFAOYSA-N -1 3 298.342 3.113 20 0 CGADHM [O-]c1ccc(CNC2([C@H]3CCCCO3)CCC2)c(F)c1F ZINC001308913354 933203760 /nfs/dbraw/zinc/20/37/60/933203760.db2.gz OITUUCXDSVEHJV-CYBMUJFWSA-N -1 3 297.345 3.252 20 0 CGADHM CCc1cccc(N(C)C(=O)c2cc(OC)ccc2[O-])c1 ZINC001468795948 937731837 /nfs/dbraw/zinc/73/18/37/937731837.db2.gz CWXSRMNWQDHROQ-UHFFFAOYSA-N -1 3 285.343 3.240 20 0 CGADHM C=Cc1ccc(CCNC(=O)c2ccc(C)cc2[O-])cc1 ZINC001468313907 937726940 /nfs/dbraw/zinc/72/69/40/937726940.db2.gz UMBUREPYOZZXRN-UHFFFAOYSA-N -1 3 281.355 3.316 20 0 CGADHM C[C@H](CCCC(=O)[O-])NCc1nc2c(s1)C[C@@H](C)CC2 ZINC001320732891 934096542 /nfs/dbraw/zinc/09/65/42/934096542.db2.gz KDJJWNBHDIUWIC-WDEREUQCSA-N -1 3 296.436 3.001 20 0 CGADHM CC(C)c1ccc(C(=O)N[C@@H]2CC[C@@H]3C[C@@H]3C2)c([O-])c1 ZINC001469800726 937743926 /nfs/dbraw/zinc/74/39/26/937743926.db2.gz WOLQXMFLQAYKEJ-MGPQQGTHSA-N -1 3 273.376 3.434 20 0 CGADHM Cc1ccc(C(=O)NCCC[C@@H]2C=CCC2)c([O-])c1 ZINC001471684589 937768334 /nfs/dbraw/zinc/76/83/34/937768334.db2.gz BGQMHVLWAXBFIG-CYBMUJFWSA-N -1 3 259.349 3.177 20 0 CGADHM O=C(NC/C=C/C1CC1)c1cc([O-])c2ccccc2c1 ZINC001324599664 934531054 /nfs/dbraw/zinc/53/10/54/934531054.db2.gz FGAJXUZUVWHSEF-ONEGZZNKSA-N -1 3 267.328 3.241 20 0 CGADHM O=C([N-]c1nccs1)c1oc(C2CC2)nc1C(F)F ZINC001337759455 936287308 /nfs/dbraw/zinc/28/73/08/936287308.db2.gz LKICDJINYVXNLR-UHFFFAOYSA-N -1 3 285.275 3.198 20 0 CGADHM O=C([N-]c1nc(-c2ccccc2)co1)c1cc(C2CC2)no1 ZINC001525608578 938050346 /nfs/dbraw/zinc/05/03/46/938050346.db2.gz ZLOQQQSDBCEUKR-UHFFFAOYSA-N -1 3 295.298 3.459 20 0 CGADHM Cc1ccc(C[N-]C(=O)C(F)(F)c2ccccc2F)o1 ZINC001533938828 938093203 /nfs/dbraw/zinc/09/32/03/938093203.db2.gz UBCQHXJIAJILCF-UHFFFAOYSA-N -1 3 283.249 3.135 20 0 CGADHM CCc1cc([N-]C(=O)c2cc(-c3ccccc3)on2)no1 ZINC001540231037 938128996 /nfs/dbraw/zinc/12/89/96/938128996.db2.gz NCMCPISVCPBBMY-UHFFFAOYSA-N -1 3 283.287 3.144 20 0 CGADHM CSc1nc(NC(=O)C2CC(C)(C)CC(C)(C)C2)n[n-]1 ZINC001542490229 938136166 /nfs/dbraw/zinc/13/61/66/938136166.db2.gz IEELQWGRBVQXRY-UHFFFAOYSA-N -1 3 296.440 3.318 20 0 CGADHM O=C([O-])[C@@H]1CN(Cc2cc(Cl)ccc2F)C[C@@H]1C1CC1 ZINC001549118222 938155360 /nfs/dbraw/zinc/15/53/60/938155360.db2.gz ZTDURPLNHBOZLG-CHWSQXEVSA-N -1 3 297.757 3.022 20 0 CGADHM O=C([O-])[C@@H]1CN(Cc2ccc(Cl)cc2F)C[C@@H]1C1CC1 ZINC001549115961 938155527 /nfs/dbraw/zinc/15/55/27/938155527.db2.gz HTKMBAQWSLZMTM-CHWSQXEVSA-N -1 3 297.757 3.022 20 0 CGADHM Cc1ccc(F)c(CN2CC[C@@]3(C(=O)[O-])CCC[C@H]23)c1F ZINC001550350276 938166270 /nfs/dbraw/zinc/16/62/70/938166270.db2.gz IFHWTNIQRQQFHT-BBRMVZONSA-N -1 3 295.329 3.102 20 0 CGADHM O=C([N-]OCC1CC1)[C@H]1C2CCC(CC2)[C@H]1C(F)(F)F ZINC001552144256 938190151 /nfs/dbraw/zinc/19/01/51/938190151.db2.gz IWPBKZACPTUFFS-MMVSWEMESA-N -1 3 291.313 3.059 20 0 CGADHM CCCCC1(C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)CC1 ZINC001558947841 938218363 /nfs/dbraw/zinc/21/83/63/938218363.db2.gz DTPYOQXPNXAZOE-UHFFFAOYSA-N -1 3 288.351 3.282 20 0 CGADHM CC(C)(C)[C@H]1CCC[C@H]1NC(=O)c1c([O-])cccc1O ZINC001558996053 938218866 /nfs/dbraw/zinc/21/88/66/938218866.db2.gz ZCMMRCLMKMVRKM-WDEREUQCSA-N -1 3 277.364 3.042 20 0 CGADHM Cc1cc(S(=O)(=O)[N-]CCC(C)(C)C)sc1Cl ZINC001561115743 938293149 /nfs/dbraw/zinc/29/31/49/938293149.db2.gz GMYVOKKNMRMJLS-UHFFFAOYSA-N -1 3 295.857 3.424 20 0 CGADHM O=C([O-])[C@@H](NCc1cccc2ccoc21)c1ccc(F)cc1 ZINC001594844224 954118053 /nfs/dbraw/zinc/11/80/53/954118053.db2.gz RRJVXOJNCALBDZ-HNNXBMFYSA-N -1 3 299.301 3.487 20 0 CGADHM Cc1ccc(-c2nc(CN[C@H](C)CC(=O)[O-])cs2)cc1 ZINC001594335199 958257789 /nfs/dbraw/zinc/25/77/89/958257789.db2.gz HYCBUXMBBZRJSF-LLVKDONJSA-N -1 3 290.388 3.071 20 0 CGADHM Cc1ccc2c(c1)CCN(Cc1cccc(C(=O)[O-])c1)C2 ZINC001594388968 958698444 /nfs/dbraw/zinc/69/84/44/958698444.db2.gz DDHWRQUIDRPYRX-UHFFFAOYSA-N -1 3 281.355 3.252 20 0 CGADHM CCOc1ccc(CNCc2csc(C(=O)[O-])c2)cc1 ZINC000902105769 958811415 /nfs/dbraw/zinc/81/14/15/958811415.db2.gz XKKBARJKSSQIRX-UHFFFAOYSA-N -1 3 291.372 3.135 20 0 CGADHM C[C@H](N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21)c1cccc(O)c1 ZINC001603243025 972395284 /nfs/dbraw/zinc/39/52/84/972395284.db2.gz MFQGCXSRZWSSJH-YMRXKLBXSA-N -1 3 297.354 3.356 20 0 CGADHM CSCC[C@@H](C)N(C)Cc1cc(C(=O)[O-])ccc1F ZINC000231028528 960181357 /nfs/dbraw/zinc/18/13/57/960181357.db2.gz SHYZYFSOLVHPJE-SNVBAGLBSA-N -1 3 285.384 3.097 20 0 CGADHM C[C@@H](NCc1ccc(C(=O)[O-])c(F)c1)c1ccsc1 ZINC000235217521 960398904 /nfs/dbraw/zinc/39/89/04/960398904.db2.gz JFBVBEGJMPVCSS-SECBINFHSA-N -1 3 279.336 3.436 20 0 CGADHM CCC[C@@H]1[C@@H](C)CCCN1Cc1ncc(C(=O)[O-])s1 ZINC001595619688 960531979 /nfs/dbraw/zinc/53/19/79/960531979.db2.gz LURYWLTUZGJBFZ-WDEREUQCSA-N -1 3 282.409 3.242 20 0 CGADHM Cc1cccc([O-])c1C(=O)NCc1coc2ccccc12 ZINC001569503420 961789010 /nfs/dbraw/zinc/78/90/10/961789010.db2.gz OAZRXGHAOLWAAD-UHFFFAOYSA-N -1 3 281.311 3.377 20 0 CGADHM O=C(/C=C\c1ccc(O)cc1)Nc1c([O-])cccc1Cl ZINC001569682948 961821229 /nfs/dbraw/zinc/82/12/29/961821229.db2.gz ZHLBPHLODRMQIB-TWGQIWQCSA-N -1 3 289.718 3.403 20 0 CGADHM CC(=O)c1cccc(NC(=O)c2sccc2F)c1[O-] ZINC001569928147 961870936 /nfs/dbraw/zinc/87/09/36/961870936.db2.gz KYPQFRXFFAJJHA-UHFFFAOYSA-N -1 3 279.292 3.048 20 0 CGADHM CC(=O)c1ccc(C(=O)N2C[C@H](C)c3ccccc32)cc1[O-] ZINC001570500028 961981874 /nfs/dbraw/zinc/98/18/74/961981874.db2.gz FFVMFYDTZCKBEU-NSHDSACASA-N -1 3 295.338 3.359 20 0 CGADHM C[C@@H]1CCC[C@H](COc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001576150549 962436421 /nfs/dbraw/zinc/43/64/21/962436421.db2.gz BKQDXNVXPATFHT-NEPJUHHUSA-N -1 3 272.352 3.072 20 0 CGADHM C[C@@H]1CCCC[C@@H]1COc1ccccc1-c1nnn[n-]1 ZINC001576171441 962439252 /nfs/dbraw/zinc/43/92/52/962439252.db2.gz QHAZOKRCFOIPLI-VXGBXAGGSA-N -1 3 272.352 3.072 20 0 CGADHM C[C@@H]1CCCC[C@@H]1COc1ccccc1-c1nn[n-]n1 ZINC001576171441 962439268 /nfs/dbraw/zinc/43/92/68/962439268.db2.gz QHAZOKRCFOIPLI-VXGBXAGGSA-N -1 3 272.352 3.072 20 0 CGADHM CCOc1cc(-c2nnn[n-]2)ccc1OCCCC(C)C ZINC001578384740 962587004 /nfs/dbraw/zinc/58/70/04/962587004.db2.gz PYWATMAAGWQDQU-UHFFFAOYSA-N -1 3 290.367 3.080 20 0 CGADHM CCOc1cc(-c2nn[n-]n2)ccc1OCCCC(C)C ZINC001578384740 962587020 /nfs/dbraw/zinc/58/70/20/962587020.db2.gz PYWATMAAGWQDQU-UHFFFAOYSA-N -1 3 290.367 3.080 20 0 CGADHM Cc1cc(OCC2CC3(CCC3)C2)ccc1-c1nn[n-]n1 ZINC001581043175 962757129 /nfs/dbraw/zinc/75/71/29/962757129.db2.gz WCGCQKCZAWNNQS-UHFFFAOYSA-N -1 3 284.363 3.134 20 0 CGADHM CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)c1ccc(O)cc1[O-] ZINC001584730768 962950847 /nfs/dbraw/zinc/95/08/47/962950847.db2.gz USMDXHCOHPVHQY-WFASDCNBSA-N -1 3 291.391 3.433 20 0 CGADHM C1=C[C@@H]2C[C@H]1C[C@H]2CSc1ccccc1-c1nnn[n-]1 ZINC001588387044 963268486 /nfs/dbraw/zinc/26/84/86/963268486.db2.gz RQYGSWIDRBCBDV-TUAOUCFPSA-N -1 3 284.388 3.171 20 0 CGADHM C1=C[C@@H]2C[C@H]1C[C@H]2CSc1ccccc1-c1nn[n-]n1 ZINC001588387044 963268499 /nfs/dbraw/zinc/26/84/99/963268499.db2.gz RQYGSWIDRBCBDV-TUAOUCFPSA-N -1 3 284.388 3.171 20 0 CGADHM C/C(=C\Cl)CSCc1cccc(-c2nnn[n-]2)c1 ZINC001588767598 963314935 /nfs/dbraw/zinc/31/49/35/963314935.db2.gz CQCHRCMACPHYGL-RMKNXTFCSA-N -1 3 280.784 3.243 20 0 CGADHM C/C(=C\Cl)CSCc1cccc(-c2nn[n-]n2)c1 ZINC001588767598 963314944 /nfs/dbraw/zinc/31/49/44/963314944.db2.gz CQCHRCMACPHYGL-RMKNXTFCSA-N -1 3 280.784 3.243 20 0 CGADHM C[C@H](N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21)c1ccncc1 ZINC001589124407 963342996 /nfs/dbraw/zinc/34/29/96/963342996.db2.gz XEMGOWXAQVPGPH-KNXALSJPSA-N -1 3 282.343 3.045 20 0 CGADHM Cc1c(C(=O)[O-])cc(CN[C@@H](C)c2cccc(C)c2)n1C ZINC000314555255 963769039 /nfs/dbraw/zinc/76/90/39/963769039.db2.gz SKJHPYLZLXQAFR-LBPRGKRZSA-N -1 3 286.375 3.191 20 0 CGADHM CC(C)CCCSc1ccccc1-c1nnn[n-]1 ZINC001589597971 964008492 /nfs/dbraw/zinc/00/84/92/964008492.db2.gz PTCAEDLKRYLKCU-UHFFFAOYSA-N -1 3 262.382 3.395 20 0 CGADHM CC(C)CCCSc1ccccc1-c1nn[n-]n1 ZINC001589597971 964008498 /nfs/dbraw/zinc/00/84/98/964008498.db2.gz PTCAEDLKRYLKCU-UHFFFAOYSA-N -1 3 262.382 3.395 20 0 CGADHM CCCC[C@@H](C(=O)[O-])N1CCC(C)=C(Br)C1 ZINC001595628914 981792975 /nfs/dbraw/zinc/79/29/75/981792975.db2.gz QCYOATSSPSJAEW-NSHDSACASA-N -1 3 290.201 3.004 20 0 CGADHM C[C@H](N[C@H]1CCOC12CCCCC2)c1ccc(C(=O)[O-])o1 ZINC001593232237 994383750 /nfs/dbraw/zinc/38/37/50/994383750.db2.gz MYTWLPVYXRMEJB-FZMZJTMJSA-N -1 3 293.363 3.120 20 0 CGADHM [O-]c1cc(F)cc(CN2CCCC[C@H]2C(F)F)c1 ZINC000337418455 214069996 /nfs/dbraw/zinc/06/99/96/214069996.db2.gz VEBGHZKGCMXSFX-LBPRGKRZSA-N -1 3 259.271 3.151 20 0 CGADHM FC(F)(F)c1csc(=NCC[C@H]2CC2(F)F)[n-]1 ZINC000621345467 349503095 /nfs/dbraw/zinc/50/30/95/349503095.db2.gz MVAYBCCXCPVFMF-YFKPBYRVSA-N -1 3 272.242 3.041 20 0 CGADHM C[C@H]1CC[C@@]2(CCN(C(=O)c3cccc([O-])c3)C2)C1 ZINC000378619462 290624157 /nfs/dbraw/zinc/62/41/57/290624157.db2.gz FEDPBQVARYDUHM-BLLLJJGKSA-N -1 3 259.349 3.045 20 0 CGADHM CCCN(CC)C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621530232 349541762 /nfs/dbraw/zinc/54/17/62/349541762.db2.gz XLCKFJRZSXURLH-UHFFFAOYSA-N -1 3 275.270 3.283 20 0 CGADHM Cc1cccc([O-])c1NC(=O)c1cnc2n1[C@H](C)CCC2 ZINC000651638564 398260695 /nfs/dbraw/zinc/26/06/95/398260695.db2.gz CORIGHCAEGEQBE-LLVKDONJSA-N -1 3 285.347 3.047 20 0 CGADHM CCC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cccs1 ZINC000590610317 346854716 /nfs/dbraw/zinc/85/47/16/346854716.db2.gz IDXSNAFKKOLJJG-VXGBXAGGSA-N -1 3 287.450 3.385 20 0 CGADHM Cc1cccc(CN(CCCC(=O)[O-])Cc2ccccn2)c1 ZINC000125413463 187183524 /nfs/dbraw/zinc/18/35/24/187183524.db2.gz SIYJHXBCGHAPRO-UHFFFAOYSA-N -1 3 298.386 3.257 20 0 CGADHM COc1ccc(NC(=O)[C@@H]2C[C@@H]2C2CCCC2)c([O-])c1 ZINC000651854699 398297320 /nfs/dbraw/zinc/29/73/20/398297320.db2.gz WVGUXFGADXVAQC-CHWSQXEVSA-N -1 3 275.348 3.166 20 0 CGADHM C[C@@H]1CCC[C@H](CC(=O)N=c2cc(-c3ccncc3)[n-][nH]2)C1 ZINC000338099453 214398370 /nfs/dbraw/zinc/39/83/70/214398370.db2.gz PERKZIZSWNAJFS-OLZOCXBDSA-N -1 3 298.390 3.049 20 0 CGADHM Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C)nc2)c1 ZINC000350804701 219062191 /nfs/dbraw/zinc/06/21/91/219062191.db2.gz ZREXEEOGVHSLMP-UHFFFAOYSA-N -1 3 296.779 3.153 20 0 CGADHM CC[C@H](NC(=O)c1cc([O-])cc(C(F)(F)F)c1)C1CC1 ZINC000622173254 349642335 /nfs/dbraw/zinc/64/23/35/349642335.db2.gz OMZMWMIEAACDKT-LBPRGKRZSA-N -1 3 287.281 3.329 20 0 CGADHM CC[C@H](Cc1ccccc1)NC(=O)c1cc(OC)ccc1[O-] ZINC000436527666 529430334 /nfs/dbraw/zinc/43/03/34/529430334.db2.gz DSWMDSMUXHCHMY-CQSZACIVSA-N -1 3 299.370 3.152 20 0 CGADHM O=C(CCCc1ccc([O-])c(F)c1)N1CC(CC2CC2)C1 ZINC000622247882 349660066 /nfs/dbraw/zinc/66/00/66/349660066.db2.gz VFLXTXHDVRQAEX-UHFFFAOYSA-N -1 3 291.366 3.113 20 0 CGADHM Cc1ccc(C(=O)N2CC(Cc3ccsc3)C2)c([O-])c1 ZINC000622258724 349663916 /nfs/dbraw/zinc/66/39/16/349663916.db2.gz INGGQXKPUBUNRT-UHFFFAOYSA-N -1 3 287.384 3.077 20 0 CGADHM CCc1cccc(C(=O)N[C@@H](C)C2CCCC2)c1[O-] ZINC000622372645 349675801 /nfs/dbraw/zinc/67/58/01/349675801.db2.gz SXGKYUKKNDXCSB-NSHDSACASA-N -1 3 261.365 3.263 20 0 CGADHM CCc1cccc(C(=O)NCC2(C3CC3)CCC2)c1[O-] ZINC000622458116 349680759 /nfs/dbraw/zinc/68/07/59/349680759.db2.gz BJVCQWGGSBYHAM-UHFFFAOYSA-N -1 3 273.376 3.265 20 0 CGADHM CCc1cc(C(=O)N2[C@H](CC)CC[C@@H]2C)ccc1[O-] ZINC000436704181 529515340 /nfs/dbraw/zinc/51/53/40/529515340.db2.gz JGDPCPHKAOVSIZ-SMDDNHRTSA-N -1 3 261.365 3.358 20 0 CGADHM CCc1ccc(C(=O)Nc2cc3c(cc2C)OCO3)c([O-])c1 ZINC000436842209 529609769 /nfs/dbraw/zinc/60/97/69/529609769.db2.gz WHLNZIUHHKUERC-UHFFFAOYSA-N -1 3 299.326 3.244 20 0 CGADHM CCc1ccc(C(=O)Nc2cnc3onc(C)c3c2)c([O-])c1 ZINC000436821306 529610933 /nfs/dbraw/zinc/61/09/33/529610933.db2.gz OQZKROLAYPEQQB-UHFFFAOYSA-N -1 3 297.314 3.052 20 0 CGADHM CCc1ccc(C(=O)N2CC[C@H](C)[C@H]2CC)c([O-])c1 ZINC000436840719 529599641 /nfs/dbraw/zinc/59/96/41/529599641.db2.gz SXDWCOBRLXBFAO-SMDDNHRTSA-N -1 3 261.365 3.215 20 0 CGADHM CCc1ccnc(-c2nc(=O)c3cc(C)sc3[n-]2)c1 ZINC000358830386 529623677 /nfs/dbraw/zinc/62/36/77/529623677.db2.gz PUWFXPFJQWBWOD-UHFFFAOYSA-N -1 3 271.345 3.330 20 0 CGADHM CCc1ccc([O-])c(C(=O)N(C)[C@H](CC)CSC)c1 ZINC000436816661 529690360 /nfs/dbraw/zinc/69/03/60/529690360.db2.gz TZYKUZLUMPOREI-GFCCVEGCSA-N -1 3 281.421 3.168 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CC[C@@H](C)[C@H]2CC)c1 ZINC000436957732 529691334 /nfs/dbraw/zinc/69/13/34/529691334.db2.gz WYZFRVVWFFGFKJ-BXUZGUMPSA-N -1 3 261.365 3.215 20 0 CGADHM Cc1ccc(NC(=O)C[C@@H](C)C(F)(F)F)c([O-])c1 ZINC000623416728 349802964 /nfs/dbraw/zinc/80/29/64/349802964.db2.gz FBJOSJVPKGKGNT-MRVPVSSYSA-N -1 3 261.243 3.228 20 0 CGADHM Cc1ccc([O-])c(CN2CCOc3c(Cl)cccc32)n1 ZINC000351496556 136380499 /nfs/dbraw/zinc/38/04/99/136380499.db2.gz XRDXWHDNCPLYHF-UHFFFAOYSA-N -1 3 290.750 3.148 20 0 CGADHM COc1ccccc1CN(C)Cc1c(F)ccc([O-])c1F ZINC000295019231 199303487 /nfs/dbraw/zinc/30/34/87/199303487.db2.gz WLZJKDAVPSWBQJ-UHFFFAOYSA-N -1 3 293.313 3.311 20 0 CGADHM CCc1ccc([C@H](NCc2cccc(C)c2)C(=O)[O-])cc1 ZINC000426823000 529726512 /nfs/dbraw/zinc/72/65/12/529726512.db2.gz HJTTWWXDLPXUCX-KRWDZBQOSA-N -1 3 283.371 3.473 20 0 CGADHM Cc1cccc([O-])c1C(=O)N[C@@H]1CCCc2occc21 ZINC000623807617 349887953 /nfs/dbraw/zinc/88/79/53/349887953.db2.gz LNVRKZZOQUZCDN-GFCCVEGCSA-N -1 3 271.316 3.101 20 0 CGADHM COc1ccc([O-])c(C(=O)N[C@H]2CCc3ccc(C)cc32)c1 ZINC000592664800 347005184 /nfs/dbraw/zinc/00/51/84/347005184.db2.gz RFXGPQBRZKVEDI-INIZCTEOSA-N -1 3 297.354 3.127 20 0 CGADHM CCC(C)(C)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000007376750 344867636 /nfs/dbraw/zinc/86/76/36/344867636.db2.gz KDBKEQTTWGQFII-UHFFFAOYSA-N -1 3 296.219 3.460 20 0 CGADHM C[C@@H]1CCc2c(C(=O)Nc3ncccc3[O-])csc2C1 ZINC000021901744 344893855 /nfs/dbraw/zinc/89/38/55/344893855.db2.gz IMSJNSFEHWVZMD-SECBINFHSA-N -1 3 288.372 3.226 20 0 CGADHM Cc1ccc(C(=O)CCC(=O)Nc2ncccc2[O-])cc1C ZINC000022265416 344894836 /nfs/dbraw/zinc/89/48/36/344894836.db2.gz KEVHSBDOYSMVFP-UHFFFAOYSA-N -1 3 298.342 3.006 20 0 CGADHM Cc1ccc(C(=O)N[C@H](C)c2ccc(F)c(F)c2)c([O-])c1 ZINC000023547644 344897715 /nfs/dbraw/zinc/89/77/15/344897715.db2.gz XQSNZAJHAWKHBZ-SNVBAGLBSA-N -1 3 291.297 3.470 20 0 CGADHM Cc1ccc(OCCNC(=O)c2ccc(C)cc2[O-])c(C)c1 ZINC000023961045 344898774 /nfs/dbraw/zinc/89/87/74/344898774.db2.gz VWCAPNXGYNHWFV-UHFFFAOYSA-N -1 3 299.370 3.126 20 0 CGADHM Cc1ccc(C(=O)NCc2ccc(F)c(C)c2)c([O-])c1 ZINC000029774510 344919499 /nfs/dbraw/zinc/91/94/99/344919499.db2.gz VPADBWHJKLCTRF-UHFFFAOYSA-N -1 3 273.307 3.078 20 0 CGADHM CC[C@H]([N-]S(=O)(=O)c1ccccc1F)C1CCCCC1 ZINC000052341938 345102772 /nfs/dbraw/zinc/10/27/72/345102772.db2.gz RWPGSAGYRBHEOD-AWEZNQCLSA-N -1 3 299.411 3.463 20 0 CGADHM O=C(/C=C\c1nc2ccccc2o1)[N-]OCc1ccccc1 ZINC000056689184 345167824 /nfs/dbraw/zinc/16/78/24/345167824.db2.gz RSWUETQQVDXYML-KHPPLWFESA-N -1 3 294.310 3.089 20 0 CGADHM COCCCCCNC(=O)c1ccc(C(C)C)cc1[O-] ZINC000057558581 345182141 /nfs/dbraw/zinc/18/21/41/345182141.db2.gz PZMHUWJUQKUCBD-UHFFFAOYSA-N -1 3 279.380 3.062 20 0 CGADHM CCN(C)[C@@H](C(=O)Nc1ccc(C)cc1[O-])c1ccccc1 ZINC000057894132 345190855 /nfs/dbraw/zinc/19/08/55/345190855.db2.gz KBPAZEUXRUHDDN-QGZVFWFLSA-N -1 3 298.386 3.332 20 0 CGADHM CCN(C(=O)c1cc(OC)ccc1[O-])c1ccccc1C ZINC000055351816 345147625 /nfs/dbraw/zinc/14/76/25/345147625.db2.gz OQBUKIWCEWWNFR-UHFFFAOYSA-N -1 3 285.343 3.376 20 0 CGADHM CCCCC[C@H](C)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000061196610 345227851 /nfs/dbraw/zinc/22/78/51/345227851.db2.gz MIUWBLATXIFNSI-LBPRGKRZSA-N -1 3 286.375 3.227 20 0 CGADHM CCO[N-]C(=O)CCCOc1cccc2ccccc21 ZINC000060613296 345221081 /nfs/dbraw/zinc/22/10/81/345221081.db2.gz YOFPNDSPSJTGEX-UHFFFAOYSA-N -1 3 273.332 3.067 20 0 CGADHM CCOc1ncccc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000067138860 345315791 /nfs/dbraw/zinc/31/57/91/345315791.db2.gz YZGZRGGDPXATES-UHFFFAOYSA-N -1 3 292.722 3.092 20 0 CGADHM Cc1ccc(C(=O)NCc2ccc3ccccc3n2)c([O-])c1 ZINC000075909146 345528407 /nfs/dbraw/zinc/52/84/07/345528407.db2.gz AKIHOVLNSKWOCS-UHFFFAOYSA-N -1 3 292.338 3.179 20 0 CGADHM [O-]c1ccc(CNc2ncnc3ccsc32)cc1F ZINC000078020151 345588620 /nfs/dbraw/zinc/58/86/20/345588620.db2.gz KHYCWAOJXDUVHH-UHFFFAOYSA-N -1 3 275.308 3.148 20 0 CGADHM CCc1cccc(C(=O)N2C[C@H]3CCCC[C@@H]3C2)c1[O-] ZINC000081808727 345718453 /nfs/dbraw/zinc/71/84/53/345718453.db2.gz JFRLALQPPLDDMK-ZIAGYGMSSA-N -1 3 273.376 3.217 20 0 CGADHM CCc1cccc(C(=O)N2CCC[C@@H](C)CC2)c1[O-] ZINC000081957978 345721129 /nfs/dbraw/zinc/72/11/29/345721129.db2.gz VMQSEIIHIDVQFF-GFCCVEGCSA-N -1 3 261.365 3.217 20 0 CGADHM CCc1cccc(C(=O)N2C[C@@H](C)CC[C@@H]2C)c1[O-] ZINC000091989911 345827455 /nfs/dbraw/zinc/82/74/55/345827455.db2.gz LTVVLUYXUOECSF-RYUDHWBXSA-N -1 3 261.365 3.215 20 0 CGADHM Cc1occc1-c1noc(-c2cc(C)ccc2[O-])n1 ZINC000165728259 232261955 /nfs/dbraw/zinc/26/19/55/232261955.db2.gz MSMDEIILQYVTTD-UHFFFAOYSA-N -1 3 256.261 3.319 20 0 CGADHM CCc1cccc(C(=O)N(Cc2cccnc2)C(C)C)c1[O-] ZINC000094020590 345894535 /nfs/dbraw/zinc/89/45/35/345894535.db2.gz VUJGXQNHAGFNND-UHFFFAOYSA-N -1 3 298.386 3.400 20 0 CGADHM O=C(N[C@@H](c1ccccc1)[C@@H]1CCCO1)c1ccccc1[O-] ZINC000171466992 232268297 /nfs/dbraw/zinc/26/82/97/232268297.db2.gz OKGOYUGVJAFYQI-IRXDYDNUSA-N -1 3 297.354 3.042 20 0 CGADHM C[C@@H](c1cccc(F)c1)N1CCC(CC(=O)[O-])CC1 ZINC000093682546 345884103 /nfs/dbraw/zinc/88/41/03/345884103.db2.gz RNCSUTWVVNRHHU-NSHDSACASA-N -1 3 265.328 3.073 20 0 CGADHM CCN(Cc1ccc(C(=O)[O-])s1)Cc1ccccc1 ZINC000109601561 345943413 /nfs/dbraw/zinc/94/34/13/345943413.db2.gz PCLPWDLBHZQQFG-UHFFFAOYSA-N -1 3 275.373 3.468 20 0 CGADHM O=C(CCc1cccc(Cl)c1)Nc1ccncc1[O-] ZINC000109889188 345944048 /nfs/dbraw/zinc/94/40/48/345944048.db2.gz UXGMDDPSIMZDOO-UHFFFAOYSA-N -1 3 276.723 3.012 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CCc3c2cccc3C)c1 ZINC000125854994 346019924 /nfs/dbraw/zinc/01/99/24/346019924.db2.gz PDUCUUTUACGQQC-UHFFFAOYSA-N -1 3 267.328 3.212 20 0 CGADHM Cc1sc(C(=O)[O-])cc1CN1CCS[C@H](C)[C@@H]1C ZINC000133104024 346075302 /nfs/dbraw/zinc/07/53/02/346075302.db2.gz KSECHHRFINDURB-DTWKUNHWSA-N -1 3 285.434 3.081 20 0 CGADHM CC[C@H]1CCCC[C@@H]1NC(=O)NCc1ccc([O-])c(F)c1 ZINC000156882206 346160176 /nfs/dbraw/zinc/16/01/76/346160176.db2.gz YGPJXTCCJJGVOA-JSGCOSHPSA-N -1 3 294.370 3.299 20 0 CGADHM c1c[nH]c(-c2csc([N-]c3ncnc4ncccc34)n2)c1 ZINC000178863920 232398690 /nfs/dbraw/zinc/39/86/90/232398690.db2.gz SMHWDVCYAASWBX-UHFFFAOYSA-N -1 3 294.343 3.220 20 0 CGADHM Cc1[nH]c2ccccc2c1CCNC(=O)c1ccccc1[O-] ZINC000199208734 346280095 /nfs/dbraw/zinc/28/00/95/346280095.db2.gz WWRGRFAMWKZEQL-UHFFFAOYSA-N -1 3 294.354 3.154 20 0 CGADHM O=C(NCc1ncccc1[O-])[C@@H]1CCC[C@H]2CCCC[C@@H]21 ZINC000332786974 346492668 /nfs/dbraw/zinc/49/26/68/346492668.db2.gz MGKNBCIKIHUUAB-HZSPNIEDSA-N -1 3 288.391 3.010 20 0 CGADHM C[C@@H](NC(=O)c1ccc(O)cc1[O-])[C@@H]1CC2CCC1CC2 ZINC000381487267 346558632 /nfs/dbraw/zinc/55/86/32/346558632.db2.gz GOBOQPFWIRNGLV-FLRBZUCHSA-N -1 3 289.375 3.042 20 0 CGADHM C[C@H](C(=O)Nc1cccc([O-])c1F)c1ccccc1F ZINC000128414232 187369460 /nfs/dbraw/zinc/36/94/60/187369460.db2.gz SFYWDRHXJCNBCS-VIFPVBQESA-N -1 3 277.270 3.413 20 0 CGADHM O=C([O-])c1cnc2ccccc2c1N1CC[C@@H](C2CC2)C1 ZINC000400468403 346589333 /nfs/dbraw/zinc/58/93/33/346589333.db2.gz WGTNMGBDAAEIQP-GFCCVEGCSA-N -1 3 282.343 3.169 20 0 CGADHM O=C(Nc1ncccc1[O-])c1nc2ccccc2cc1Cl ZINC000351802114 219210503 /nfs/dbraw/zinc/21/05/03/219210503.db2.gz HCTCYLBSHLSJPR-UHFFFAOYSA-N -1 3 299.717 3.241 20 0 CGADHM CC(C)Oc1ccccc1CN1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000518373796 535060687 /nfs/dbraw/zinc/06/06/87/535060687.db2.gz AEKZGJGCAIBEDT-UKRRQHHQSA-N -1 3 291.391 3.016 20 0 CGADHM COC(=O)C1(NCc2cc([O-])ccc2Cl)CCCCC1 ZINC000599302400 347733481 /nfs/dbraw/zinc/73/34/81/347733481.db2.gz IAZGYASHWBSBLA-UHFFFAOYSA-N -1 3 297.782 3.011 20 0 CGADHM CCO[C@H](CSCc1cc(=O)[n-]c(C2CC2)n1)C1CC1 ZINC000600633410 347820200 /nfs/dbraw/zinc/82/02/00/347820200.db2.gz QOKSRPOIJLLOEX-CYBMUJFWSA-N -1 3 294.420 3.108 20 0 CGADHM C[C@@]1(CNCc2cccc([O-])c2Cl)CCO[C@H]1C1CC1 ZINC000339364396 215124410 /nfs/dbraw/zinc/12/44/10/215124410.db2.gz UNMBGZVJBABPBF-HOTGVXAUSA-N -1 3 295.810 3.340 20 0 CGADHM COC(=O)c1cccc(NC(=O)c2ccc(C)cc2[O-])c1C ZINC000603478318 348085962 /nfs/dbraw/zinc/08/59/62/348085962.db2.gz XHUDVPDFIJNOAN-UHFFFAOYSA-N -1 3 299.326 3.048 20 0 CGADHM CCN(Cc1cccc(Cl)c1Cl)[C@@H](C)C(=O)[O-] ZINC000604773259 348133281 /nfs/dbraw/zinc/13/32/81/348133281.db2.gz UFJIGYHUNDVHFH-QMMMGPOBSA-N -1 3 276.163 3.288 20 0 CGADHM O=C(NCc1ccc([O-])c(F)c1)c1cc2occc2s1 ZINC000606537091 348190153 /nfs/dbraw/zinc/19/01/53/348190153.db2.gz JDPOWCYETMVDRY-UHFFFAOYSA-N -1 3 291.303 3.269 20 0 CGADHM CC(C)[C@H](C)C[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000606907211 348206465 /nfs/dbraw/zinc/20/64/65/348206465.db2.gz CBQVCJYOZNKCRT-SECBINFHSA-N -1 3 293.791 3.050 20 0 CGADHM CC1(C)CCC[C@H](C(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000339425607 215162285 /nfs/dbraw/zinc/16/22/85/215162285.db2.gz VVCZIDMLGPDZSV-LBPRGKRZSA-N -1 3 299.378 3.022 20 0 CGADHM CC1(C)CCC[C@H](C(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000339425607 215162287 /nfs/dbraw/zinc/16/22/87/215162287.db2.gz VVCZIDMLGPDZSV-LBPRGKRZSA-N -1 3 299.378 3.022 20 0 CGADHM CCCc1ccc(-c2cc(=NC(=O)C3CC=CC3)[nH][n-]2)cc1 ZINC000607189619 348229985 /nfs/dbraw/zinc/22/99/85/348229985.db2.gz OJQMPIQRHLWITA-UHFFFAOYSA-N -1 3 295.386 3.356 20 0 CGADHM O=C(c1ccccc1[O-])N1CCC(C2CCCC2)CC1 ZINC000608475231 348311025 /nfs/dbraw/zinc/31/10/25/348311025.db2.gz PSPMNZFXIOZSRF-UHFFFAOYSA-N -1 3 273.376 3.435 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)CSC(C)C)c1[O-] ZINC000609743217 348351539 /nfs/dbraw/zinc/35/15/39/348351539.db2.gz HZKDVTKGKNIWPV-UHFFFAOYSA-N -1 3 273.785 3.434 20 0 CGADHM O=C(N[C@@H]1CC[C@H]2CCC[C@@H]2C1)c1cccc([O-])c1 ZINC000357377209 295787554 /nfs/dbraw/zinc/78/75/54/295787554.db2.gz ROFWONMPXFLMDU-YRGRVCCFSA-N -1 3 259.349 3.091 20 0 CGADHM O=C(Nc1ccc([O-])cc1F)[C@H]1CCCC2(CC2)C1 ZINC000613332529 348591851 /nfs/dbraw/zinc/59/18/51/348591851.db2.gz WTQYTAGXNFCADP-JTQLQIEISA-N -1 3 263.312 3.440 20 0 CGADHM CC1(C)CC[C@H]1C(=O)N1CCCc2cccc([O-])c21 ZINC000613158238 348569231 /nfs/dbraw/zinc/56/92/31/348569231.db2.gz FMRIPZLKABXBLL-LBPRGKRZSA-N -1 3 259.349 3.108 20 0 CGADHM COc1ccc([C@@H]2C[C@H]2C(=O)Nc2c(C)cccc2[O-])cc1 ZINC000613205509 348575274 /nfs/dbraw/zinc/57/52/74/348575274.db2.gz DGAMTNDGTNLYHB-LSDHHAIUSA-N -1 3 297.354 3.451 20 0 CGADHM CC(=O)c1ccc(-c2nc3cc(Cl)ccc3c(=O)[n-]2)cc1 ZINC000614111381 348649931 /nfs/dbraw/zinc/64/99/31/348649931.db2.gz PQJZTFDFIYCJFF-UHFFFAOYSA-N -1 3 298.729 3.446 20 0 CGADHM C[C@H]1CC[C@H](CC(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)C1 ZINC000615137218 348717613 /nfs/dbraw/zinc/71/76/13/348717613.db2.gz BMQQKDVFRSVLPJ-UWVGGRQHSA-N -1 3 273.336 3.033 20 0 CGADHM C[C@@H](C(=O)NCc1ccc([O-])c2ncccc12)C(C)(C)C ZINC000616025391 348782535 /nfs/dbraw/zinc/78/25/35/348782535.db2.gz NBDQODYOAYVQKX-NSHDSACASA-N -1 3 286.375 3.239 20 0 CGADHM O=C(NCc1ccc([O-])c2ncccc12)[C@H]1CC12CCCC2 ZINC000616025843 348782590 /nfs/dbraw/zinc/78/25/90/348782590.db2.gz WVFJRJSKRPRCMY-CQSZACIVSA-N -1 3 296.370 3.137 20 0 CGADHM CCc1cc(C(=O)Nc2cc([C@H]3C[C@@H]3C)[nH]n2)ccc1[O-] ZINC000616438135 348820249 /nfs/dbraw/zinc/82/02/49/348820249.db2.gz FPVWGURHSSVQLM-CABZTGNLSA-N -1 3 285.347 3.053 20 0 CGADHM C[C@@H](C(=O)Nc1ccc([O-])cc1Cl)C(F)(F)F ZINC000616940688 348884784 /nfs/dbraw/zinc/88/47/84/348884784.db2.gz BZRLTLNRPRRKLE-YFKPBYRVSA-N -1 3 267.634 3.183 20 0 CGADHM Cc1ccn([C@H](C)CC(=O)Nc2ccc([O-])cc2Cl)n1 ZINC000616943305 348885991 /nfs/dbraw/zinc/88/59/91/348885991.db2.gz WIZWFTGUQUUKPU-SNVBAGLBSA-N -1 3 293.754 3.140 20 0 CGADHM CC[C@@H](C)N(CC)C(=O)c1cc(SC)ccc1[O-] ZINC000616976454 348887910 /nfs/dbraw/zinc/88/79/10/348887910.db2.gz QOLIKQMBVCQDOE-SNVBAGLBSA-N -1 3 267.394 3.375 20 0 CGADHM [O-]c1ccc(F)c(CNCc2ccc(F)cc2)c1F ZINC000352012913 219288701 /nfs/dbraw/zinc/28/87/01/219288701.db2.gz GYLLMAYLQJKIJN-UHFFFAOYSA-N -1 3 267.250 3.099 20 0 CGADHM Cc1cccc(CN(C)Cc2cc([O-])cc(F)c2)c1 ZINC000352010673 219287643 /nfs/dbraw/zinc/28/76/43/219287643.db2.gz HWFNYUGMQUMHQG-UHFFFAOYSA-N -1 3 259.324 3.472 20 0 CGADHM CC(C)N(Cc1cc(=O)[n-]c(-c2ccccc2)n1)C1CC1 ZINC000459305022 535087915 /nfs/dbraw/zinc/08/79/15/535087915.db2.gz PRFBPJCOEOVUNS-UHFFFAOYSA-N -1 3 283.375 3.222 20 0 CGADHM CCc1cccc(C(=O)NCC[C@]2(C)CC2(F)F)c1[O-] ZINC000618633147 349131140 /nfs/dbraw/zinc/13/11/40/349131140.db2.gz HEIWNDZKGMGXDZ-CQSZACIVSA-N -1 3 283.318 3.120 20 0 CGADHM COC1(c2noc(-c3ccc(C)c(C)c3[O-])n2)CCCC1 ZINC000273999989 192397633 /nfs/dbraw/zinc/39/76/33/192397633.db2.gz YRSNHYNMYPWHRP-UHFFFAOYSA-N -1 3 288.347 3.475 20 0 CGADHM O=C(NCc1ccc(C2CC2)cc1F)c1cccc([O-])c1 ZINC000358921651 233215518 /nfs/dbraw/zinc/21/55/18/233215518.db2.gz RXEIOVJSBUCPQX-UHFFFAOYSA-N -1 3 285.318 3.339 20 0 CGADHM O=C(NC1CCC2(CC2(F)F)CC1)c1cccc([O-])c1 ZINC000619236793 349225392 /nfs/dbraw/zinc/22/53/92/349225392.db2.gz WOEGNMHNNDRGFA-UHFFFAOYSA-N -1 3 281.302 3.090 20 0 CGADHM Cc1ccc(C(=O)NC(C)(C)c2nccs2)c([O-])c1C ZINC000271217533 191009435 /nfs/dbraw/zinc/00/94/35/191009435.db2.gz CCLDYQSGOBLBPX-UHFFFAOYSA-N -1 3 290.388 3.131 20 0 CGADHM [O-]c1ccc(Cl)c(CN2CCC[C@H](c3cc[nH]n3)C2)c1 ZINC000625096189 350127896 /nfs/dbraw/zinc/12/78/96/350127896.db2.gz MCFRZAUMJAVDPV-NSHDSACASA-N -1 3 291.782 3.148 20 0 CGADHM [O-]c1ccc(Cl)c(CN[C@H](CCO)c2ccccc2)c1 ZINC000625282301 350152581 /nfs/dbraw/zinc/15/25/81/350152581.db2.gz FQLUBURDGRMISQ-MRXNPFEDSA-N -1 3 291.778 3.259 20 0 CGADHM COc1ccc([O-])c(C(=O)N2CC[C@@H](C)C3(CCC3)C2)c1 ZINC000271299025 191057795 /nfs/dbraw/zinc/05/77/95/191057795.db2.gz GHTGZILJQLHMGV-GFCCVEGCSA-N -1 3 289.375 3.053 20 0 CGADHM CCO[C@@H](C(=O)Nc1cc(Cl)ccc1[O-])C(C)C ZINC000626228133 350285393 /nfs/dbraw/zinc/28/53/93/350285393.db2.gz ZLDNCHQWUHATKN-GFCCVEGCSA-N -1 3 271.744 3.045 20 0 CGADHM C[C@H](NC(=O)c1cc([O-])cc(Br)c1)C1CCC1 ZINC000626268577 350290031 /nfs/dbraw/zinc/29/00/31/350290031.db2.gz WNXNQDOWNYRICB-QMMMGPOBSA-N -1 3 298.180 3.073 20 0 CGADHM C[C@@H](C(=O)Nc1cc(Cl)c([O-])c2ccccc12)N(C)C ZINC000628233301 350455424 /nfs/dbraw/zinc/45/54/24/350455424.db2.gz VMFUTLUKRCXDMI-VIFPVBQESA-N -1 3 292.766 3.087 20 0 CGADHM CCc1ccc(CNC(C)(C)c2nc(C)cc(=O)[n-]2)s1 ZINC000628374578 350520200 /nfs/dbraw/zinc/52/02/00/350520200.db2.gz QTHPPGKWTTTWJB-UHFFFAOYSA-N -1 3 291.420 3.139 20 0 CGADHM CCc1cc(C(=O)N2Cc3cccc(OC)c3C2)ccc1[O-] ZINC000629111137 350652891 /nfs/dbraw/zinc/65/28/91/350652891.db2.gz AATNRCOQYXRBTM-UHFFFAOYSA-N -1 3 297.354 3.119 20 0 CGADHM O=C([O-])[C@@H]1CCN(Cc2ccc(Cl)cc2)[C@H]2CCC[C@H]21 ZINC000629372809 350681385 /nfs/dbraw/zinc/68/13/85/350681385.db2.gz IALVDAYCIICWGS-ZNMIVQPWSA-N -1 3 293.794 3.415 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2C[C@@H]3CCCC[C@@]32C)c1 ZINC000629617300 350720116 /nfs/dbraw/zinc/72/01/16/350720116.db2.gz TUEWJQFVBMMRJF-GUYCJALGSA-N -1 3 273.376 3.359 20 0 CGADHM C/C=C\C[C@H]1CCCN(C(=O)c2ccc([O-])c(OC)c2)C1 ZINC000629874199 350781899 /nfs/dbraw/zinc/78/18/99/350781899.db2.gz SLXQUTQCDSRBAF-SCOBNMCVSA-N -1 3 289.375 3.219 20 0 CGADHM CC[C@H](C)Cc1noc(Cc2ccc([O-])c(F)c2)n1 ZINC000632249354 351186883 /nfs/dbraw/zinc/18/68/83/351186883.db2.gz LGGLMHQZFZXXDH-VIFPVBQESA-N -1 3 264.300 3.094 20 0 CGADHM O=C(c1ccc(O)cc1[O-])N1CCC[C@H](C2CCC2)CC1 ZINC000634522440 351504447 /nfs/dbraw/zinc/50/44/47/351504447.db2.gz IDVBTPYRCXIRGI-ZDUSSCGKSA-N -1 3 289.375 3.140 20 0 CGADHM CCc1[n-]n(CCc2ccc(OC)cc2)c(=O)c1C(C)C ZINC000634613328 351542388 /nfs/dbraw/zinc/54/23/88/351542388.db2.gz VPDNAEMCMYLGIR-INIZCTEOSA-N -1 3 288.391 3.118 20 0 CGADHM Cc1cccc(O)c1[N-]S(=O)(=O)CCC1CCCCC1 ZINC000634790128 351587341 /nfs/dbraw/zinc/58/73/41/351587341.db2.gz SNNSRAQDTDNGPS-UHFFFAOYSA-N -1 3 297.420 3.413 20 0 CGADHM CCN(Cc1cc(Cl)cc(Cl)c1F)[C@@H](C)C(=O)[O-] ZINC000635017414 351631892 /nfs/dbraw/zinc/63/18/92/351631892.db2.gz HPEYMFBOPSWHPK-ZETCQYMHSA-N -1 3 294.153 3.428 20 0 CGADHM CC[C@@H](C)CON=C([O-])Nc1cccc(Cl)c1OC ZINC000291711466 198066236 /nfs/dbraw/zinc/06/62/36/198066236.db2.gz GIOXQHIARGFUNV-SECBINFHSA-N -1 3 286.759 3.448 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)Nc1cccc(Cl)c1OC ZINC000291711466 198066237 /nfs/dbraw/zinc/06/62/37/198066237.db2.gz GIOXQHIARGFUNV-SECBINFHSA-N -1 3 286.759 3.448 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])c1cc2c(s1)CCC2 ZINC000121871941 187002050 /nfs/dbraw/zinc/00/20/50/187002050.db2.gz YNNYSVBJOGZRQS-UHFFFAOYSA-N -1 3 277.320 3.334 20 0 CGADHM CCCC[C@H](C)N(C)C(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000291995999 198128810 /nfs/dbraw/zinc/12/88/10/198128810.db2.gz LQCVNDOCXBXMIA-NSHDSACASA-N -1 3 292.379 3.001 20 0 CGADHM Cc1ccc(C)c(C(=O)CCC(=O)[N-]OC2CCCC2)c1 ZINC000271626758 191247982 /nfs/dbraw/zinc/24/79/82/191247982.db2.gz AXPXIMFUUIXWFS-UHFFFAOYSA-N -1 3 289.375 3.257 20 0 CGADHM O=C([N-]OC/C=C/Cl)[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000292218956 198206508 /nfs/dbraw/zinc/20/65/08/198206508.db2.gz QMCOYZXEBLDNIK-GHSSLCQTSA-N -1 3 285.693 3.155 20 0 CGADHM CCCCC[C@H](C)[N-]S(=O)(=O)c1sccc1OC ZINC000154643725 188155016 /nfs/dbraw/zinc/15/50/16/188155016.db2.gz ZFJSRVGHNIZNBA-JTQLQIEISA-N -1 3 291.438 3.004 20 0 CGADHM CSc1cccc(NC([O-])=NOCCC(F)(F)F)c1 ZINC000156067748 188241714 /nfs/dbraw/zinc/24/17/14/188241714.db2.gz SNJVDIXPOGKHSS-UHFFFAOYSA-N -1 3 294.298 3.414 20 0 CGADHM CSc1cccc(NC(=O)[N-]OCCC(F)(F)F)c1 ZINC000156067748 188241715 /nfs/dbraw/zinc/24/17/15/188241715.db2.gz SNJVDIXPOGKHSS-UHFFFAOYSA-N -1 3 294.298 3.414 20 0 CGADHM COc1ccc([O-])c(-c2nc([C@H]3CCCCS3)no2)c1 ZINC000157878998 188344506 /nfs/dbraw/zinc/34/45/06/188344506.db2.gz QJGRFHIWHCFFHQ-GFCCVEGCSA-N -1 3 292.360 3.409 20 0 CGADHM CC(C)CON=C([O-])Nc1ccc(Cl)cc1F ZINC000158202507 188363740 /nfs/dbraw/zinc/36/37/40/188363740.db2.gz ANWJUPSLVGXCLD-UHFFFAOYSA-N -1 3 260.696 3.188 20 0 CGADHM CC(C)CO[N-]C(=O)Nc1ccc(Cl)cc1F ZINC000158202507 188363741 /nfs/dbraw/zinc/36/37/41/188363741.db2.gz ANWJUPSLVGXCLD-UHFFFAOYSA-N -1 3 260.696 3.188 20 0 CGADHM CC(C)CC[C@H]1CCCN1C(=O)c1ccc(O)cc1[O-] ZINC000158306704 188369280 /nfs/dbraw/zinc/36/92/80/188369280.db2.gz ZEERUYCQBMPUBG-GFCCVEGCSA-N -1 3 277.364 3.139 20 0 CGADHM O=C(Cc1ccc([O-])cc1Cl)N1CC(C2CCCC2)C1 ZINC000373751885 234644863 /nfs/dbraw/zinc/64/48/63/234644863.db2.gz MJSHUABPTDUNJG-UHFFFAOYSA-N -1 3 293.794 3.237 20 0 CGADHM Cc1ccc(NC(=O)C(C)(C)CC(F)F)c([O-])c1 ZINC000411197375 235036156 /nfs/dbraw/zinc/03/61/56/235036156.db2.gz CYGISSIPWWGEDE-UHFFFAOYSA-N -1 3 257.280 3.321 20 0 CGADHM Cc1cc(NC([O-])=NOC2CCCC2)ccc1F ZINC000271791935 191329326 /nfs/dbraw/zinc/32/93/26/191329326.db2.gz IEBRKVYXPHRZBO-UHFFFAOYSA-N -1 3 252.289 3.130 20 0 CGADHM Cc1cc(NC(=O)[N-]OC2CCCC2)ccc1F ZINC000271791935 191329329 /nfs/dbraw/zinc/32/93/29/191329329.db2.gz IEBRKVYXPHRZBO-UHFFFAOYSA-N -1 3 252.289 3.130 20 0 CGADHM O=c1cc(COc2cc(Cl)ccc2F)nc(C2CC2)[n-]1 ZINC000412994591 235237961 /nfs/dbraw/zinc/23/79/61/235237961.db2.gz PJOBXUVMLQASGG-UHFFFAOYSA-N -1 3 294.713 3.431 20 0 CGADHM CCCc1nc(C(=O)[N-]c2cc(F)c(OC)cc2F)co1 ZINC000273686681 192261507 /nfs/dbraw/zinc/26/15/07/192261507.db2.gz LAWUNOTWVWTUDE-UHFFFAOYSA-N -1 3 296.273 3.166 20 0 CGADHM CCc1ncsc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000123505805 138367890 /nfs/dbraw/zinc/36/78/90/138367890.db2.gz PKPDUJOJOFGZIG-UHFFFAOYSA-N -1 3 282.752 3.317 20 0 CGADHM O=C(Nc1ccncc1[O-])[C@@H]1C[C@@H]1c1ccccc1Cl ZINC000109890637 138362062 /nfs/dbraw/zinc/36/20/62/138362062.db2.gz YWISDVVGCOFNPQ-GHMZBOCLSA-N -1 3 288.734 3.183 20 0 CGADHM COc1ccc(NC(=O)c2cccc([O-])c2)c2cccnc12 ZINC000182212568 138431322 /nfs/dbraw/zinc/43/13/22/138431322.db2.gz XKGWMOAJKXKGHG-UHFFFAOYSA-N -1 3 294.310 3.201 20 0 CGADHM CCC[C@H]1CCC[C@H]1C(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000294331874 199001268 /nfs/dbraw/zinc/00/12/68/199001268.db2.gz ACWMJIXPNVIPGH-NWDGAFQWSA-N -1 3 299.378 3.022 20 0 CGADHM CCC[C@H]1CCC[C@H]1C(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000294331874 199001270 /nfs/dbraw/zinc/00/12/70/199001270.db2.gz ACWMJIXPNVIPGH-NWDGAFQWSA-N -1 3 299.378 3.022 20 0 CGADHM CCC[C@H]1CCC[C@H]1C(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000294331874 199001271 /nfs/dbraw/zinc/00/12/71/199001271.db2.gz ACWMJIXPNVIPGH-NWDGAFQWSA-N -1 3 299.378 3.022 20 0 CGADHM Cc1ccccc1CCN(C)C(=O)c1ccc([O-])c(C)c1 ZINC000296053113 199767514 /nfs/dbraw/zinc/76/75/14/199767514.db2.gz NAWKHBWYDRSGAQ-UHFFFAOYSA-N -1 3 283.371 3.324 20 0 CGADHM O=C([O-])[C@H](NCc1ccc(Cl)s1)c1ccc(O)cc1 ZINC000426775551 236313401 /nfs/dbraw/zinc/31/34/01/236313401.db2.gz TTZYNNDZAYIKKZ-GFCCVEGCSA-N -1 3 297.763 3.023 20 0 CGADHM Cc1ccc([O-])c(C(=O)N(C)Cc2cccc3[nH]ccc32)c1 ZINC000427744238 236344838 /nfs/dbraw/zinc/34/48/38/236344838.db2.gz LFCOCXQLQOPUNU-UHFFFAOYSA-N -1 3 294.354 3.454 20 0 CGADHM [O-]c1ccc(F)c(CNC[C@@H]2CCC(F)(F)C2)c1F ZINC000294683292 199133625 /nfs/dbraw/zinc/13/36/25/199133625.db2.gz MZKNCPMZLLQOCA-MRVPVSSYSA-N -1 3 277.261 3.195 20 0 CGADHM C[C@H]1C[C@H](c2ccccc2)CN1C(=O)c1c([O-])cccc1O ZINC000271423758 291152598 /nfs/dbraw/zinc/15/25/98/291152598.db2.gz ZUVHGSSUHIIEOM-JSGCOSHPSA-N -1 3 297.354 3.116 20 0 CGADHM Cc1ccc(OCCCCNC(=O)c2ccccc2[O-])cc1 ZINC000436518939 237119204 /nfs/dbraw/zinc/11/92/04/237119204.db2.gz UCYQVQIUZUPQFH-UHFFFAOYSA-N -1 3 299.370 3.290 20 0 CGADHM C[C@]1(NC(=O)c2ccc(O)cc2[O-])CCCc2ccccc21 ZINC000436634406 237148228 /nfs/dbraw/zinc/14/82/28/237148228.db2.gz KSFYEFOIQGZQLB-SFHVURJKSA-N -1 3 297.354 3.079 20 0 CGADHM Cc1ccc([O-])c(C(=O)N[C@H]2CCCO[C@H]2CC(C)C)c1 ZINC000436567835 237131812 /nfs/dbraw/zinc/13/18/12/237131812.db2.gz YNNNWNGLJIJCQD-HOCLYGCPSA-N -1 3 291.391 3.024 20 0 CGADHM CS[C@H](CNC(=O)c1ccc(C)cc1[O-])C(C)(C)C ZINC000436829743 237190871 /nfs/dbraw/zinc/19/08/71/237190871.db2.gz BORCWDGBQUWROU-CYBMUJFWSA-N -1 3 281.421 3.208 20 0 CGADHM Cc1ccc(C(=O)NCC2(C(F)(F)F)CC2)c([O-])c1C ZINC000436664717 237159782 /nfs/dbraw/zinc/15/97/82/237159782.db2.gz KCWJWOLPAYKMJZ-UHFFFAOYSA-N -1 3 287.281 3.081 20 0 CGADHM Cc1ccc(C(=O)NCCC2C[C@H](C)O[C@@H](C)C2)c([O-])c1 ZINC000436703772 237163679 /nfs/dbraw/zinc/16/36/79/237163679.db2.gz MVPIZBAHXLCZAJ-STQMWFEESA-N -1 3 291.391 3.024 20 0 CGADHM C[C@H]1C[C@H](C)CN(C(=O)c2ccc3c(c2[O-])CCCC3)C1 ZINC000436948477 237217833 /nfs/dbraw/zinc/21/78/33/237217833.db2.gz OUVVYUORANENMR-STQMWFEESA-N -1 3 287.403 3.389 20 0 CGADHM Cc1cc(C(=O)N[C@H](C)c2ccc(F)cc2F)ccc1[O-] ZINC000436901186 237204727 /nfs/dbraw/zinc/20/47/27/237204727.db2.gz FZCHEFLFBXDOTJ-SNVBAGLBSA-N -1 3 291.297 3.470 20 0 CGADHM Cc1cc(C(=O)N2CC[C@@H](C)C[C@H](C)C2)ccc1[O-] ZINC000436936620 237215779 /nfs/dbraw/zinc/21/57/79/237215779.db2.gz UTEXJAAOAUQNNE-NEPJUHHUSA-N -1 3 261.365 3.209 20 0 CGADHM Cc1cc(C(=O)N[C@H]2[C@H](C)CCC[C@@H]2C)ccc1[O-] ZINC000436941409 237216646 /nfs/dbraw/zinc/21/66/46/237216646.db2.gz PWSPFCFRABFPCI-HBYGRHMLSA-N -1 3 261.365 3.255 20 0 CGADHM CCCCn1nc(C)c(/C=C/C(=O)[N-]OC(C)C)c1Cl ZINC000297148664 200098316 /nfs/dbraw/zinc/09/83/16/200098316.db2.gz IUXRLPRWHZHOCY-BQYQJAHWSA-N -1 3 299.802 3.114 20 0 CGADHM O=c1nc([C@@H]2CCCO2)[n-]c2sc3c(c21)CCCCC3 ZINC000178984353 189159591 /nfs/dbraw/zinc/15/95/91/189159591.db2.gz YLHZLLJQYVECCJ-JTQLQIEISA-N -1 3 290.388 3.105 20 0 CGADHM CCS[C@H]1CCC[C@@H](NC(=O)c2cccc([O-])c2)C1 ZINC000182559450 189327994 /nfs/dbraw/zinc/32/79/94/189327994.db2.gz MAOMBWQBGKJBMU-OCCSQVGLSA-N -1 3 279.405 3.186 20 0 CGADHM CC(C)C(CNC(=O)Cc1ccc([O-])c(F)c1)C(C)C ZINC000451086696 240215227 /nfs/dbraw/zinc/21/52/27/240215227.db2.gz GFDRXCLTAKYQDU-UHFFFAOYSA-N -1 3 281.371 3.118 20 0 CGADHM O=C(CCCc1cc(F)ccc1F)Nc1ccncc1[O-] ZINC000120923997 370813758 /nfs/dbraw/zinc/81/37/58/370813758.db2.gz HUCWDZHOFOBDKT-UHFFFAOYSA-N -1 3 292.285 3.027 20 0 CGADHM C[C@@H]1Cc2ccccc2N1Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459306018 242064695 /nfs/dbraw/zinc/06/46/95/242064695.db2.gz IEVLXSDXHNXVRI-LLVKDONJSA-N -1 3 281.359 3.011 20 0 CGADHM CCOc1cc(CN2CCC[C@H](OC)C2)cc(Cl)c1[O-] ZINC000459314437 242068658 /nfs/dbraw/zinc/06/86/58/242068658.db2.gz ZOKYKUWWRYPCMX-LBPRGKRZSA-N -1 3 299.798 3.055 20 0 CGADHM C[C@H]1c2ccccc2CN1Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459364947 242092561 /nfs/dbraw/zinc/09/25/61/242092561.db2.gz SWPLELWGVWHLMD-NSHDSACASA-N -1 3 281.359 3.136 20 0 CGADHM C[C@@H](NCc1cc([O-])cc(F)c1)c1nc2c(s1)CCC2 ZINC000459645460 242162010 /nfs/dbraw/zinc/16/20/10/242162010.db2.gz GTGBGCPSDYKLSI-SECBINFHSA-N -1 3 292.379 3.327 20 0 CGADHM C[C@H]1CC[C@@H](C[N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000481247653 243184966 /nfs/dbraw/zinc/18/49/66/243184966.db2.gz UECFHSBBNFGPRI-DTWKUNHWSA-N -1 3 293.841 3.116 20 0 CGADHM CCc1cc(C(=O)Nc2cccc(F)c2F)ccc1[O-] ZINC000486155727 243355466 /nfs/dbraw/zinc/35/54/66/243355466.db2.gz KAXMTIUWMSUCPC-UHFFFAOYSA-N -1 3 277.270 3.485 20 0 CGADHM CCc1cc(C(=O)N[C@@H](C)c2ccccc2)ccc1[O-] ZINC000486320103 243358310 /nfs/dbraw/zinc/35/83/10/243358310.db2.gz SCWNKTWZUHFIER-LBPRGKRZSA-N -1 3 269.344 3.446 20 0 CGADHM CCc1cc(C(=O)Nc2ccccc2F)ccc1[O-] ZINC000485402932 243332636 /nfs/dbraw/zinc/33/26/36/243332636.db2.gz CXPXBQSZCJPUFU-UHFFFAOYSA-N -1 3 259.280 3.346 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2ccccc2OCC2CC2)n1 ZINC000486124323 243354168 /nfs/dbraw/zinc/35/41/68/243354168.db2.gz JRJZWWHSWXLZIV-CMDGGOBGSA-N -1 3 282.343 3.450 20 0 CGADHM CCc1cc(C(=O)N[C@@H]2CC23CCCCC3)ccc1[O-] ZINC000486933158 243379587 /nfs/dbraw/zinc/37/95/87/243379587.db2.gz FGHDMGGWAVSGEQ-OAHLLOKOSA-N -1 3 273.376 3.407 20 0 CGADHM CCc1cccc(C(=O)Nc2ccnn2[C@H](C)C2CC2)c1[O-] ZINC000537687378 376193392 /nfs/dbraw/zinc/19/33/92/376193392.db2.gz DTYQPAGBZLXSGO-LLVKDONJSA-N -1 3 299.374 3.374 20 0 CGADHM CSc1ccc(NC(=O)c2cccc([O-])c2)cc1 ZINC000019838320 368770113 /nfs/dbraw/zinc/77/01/13/368770113.db2.gz GHIZFAOVMFIHMW-UHFFFAOYSA-N -1 3 259.330 3.366 20 0 CGADHM CC(C)CC[C@@H](C)[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000023993792 368826230 /nfs/dbraw/zinc/82/62/30/368826230.db2.gz ZSSBCBOVDZSGOY-SNVBAGLBSA-N -1 3 291.363 3.068 20 0 CGADHM O=C(/C=C\c1ccccc1Br)[N-]OC1CCC1 ZINC000493707461 244216658 /nfs/dbraw/zinc/21/66/58/244216658.db2.gz OLGGDCXZNOFBCU-HJWRWDBZSA-N -1 3 296.164 3.063 20 0 CGADHM CN(CCCCC(=O)[O-])Cc1ccccc1Cl ZINC000042437551 369221243 /nfs/dbraw/zinc/22/12/43/369221243.db2.gz JVMQAEBBZUCALG-UHFFFAOYSA-N -1 3 255.745 3.027 20 0 CGADHM Cc1oc(CN(C)[C@H](C)CC(C)C)cc1C(=O)[O-] ZINC000042585531 369225809 /nfs/dbraw/zinc/22/58/09/369225809.db2.gz OKSZOGPNGQDLNG-SNVBAGLBSA-N -1 3 253.342 3.153 20 0 CGADHM COc1ccc([O-])c(C(=O)N2CCC[C@@H]2C2CCCC2)c1 ZINC000044352688 369259795 /nfs/dbraw/zinc/25/97/95/369259795.db2.gz RTUNLCKQRXUAJI-OAHLLOKOSA-N -1 3 289.375 3.196 20 0 CGADHM C[C@@H]1C[C@@H]1CNC(=O)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000495010015 244346296 /nfs/dbraw/zinc/34/62/96/244346296.db2.gz VUCPSHCEULRXLC-HTQZYQBOSA-N -1 3 295.795 3.177 20 0 CGADHM CCN(Cc1cccs1)Cc1cccc(C(=O)[O-])c1 ZINC000048970670 369378330 /nfs/dbraw/zinc/37/83/30/369378330.db2.gz HFDIIBMJKNRCMY-UHFFFAOYSA-N -1 3 275.373 3.468 20 0 CGADHM O=C(NCc1ccc(F)c(Cl)c1)c1ccccc1[O-] ZINC000053158922 369479425 /nfs/dbraw/zinc/47/94/25/369479425.db2.gz ZIZQZMKWXLLXPK-UHFFFAOYSA-N -1 3 279.698 3.115 20 0 CGADHM C[C@@H](c1ccccc1Cl)N(C)CCCC(=O)[O-] ZINC000062015189 369613735 /nfs/dbraw/zinc/61/37/35/369613735.db2.gz UHZRBFFEHNSQIK-JTQLQIEISA-N -1 3 255.745 3.198 20 0 CGADHM CC(C)c1cc(C(=O)[N-]c2ccc(F)cc2F)on1 ZINC000072642674 369831796 /nfs/dbraw/zinc/83/17/96/369831796.db2.gz JYWPVJUWOYJRNG-UHFFFAOYSA-N -1 3 266.247 3.329 20 0 CGADHM CC(C)(CNCc1ccc(Oc2ccccc2)o1)C(=O)[O-] ZINC000276967048 193516385 /nfs/dbraw/zinc/51/63/85/193516385.db2.gz GKQLEGLJZQNDIN-UHFFFAOYSA-N -1 3 289.331 3.272 20 0 CGADHM C[C@@H]1CCC[C@@H](CC(=O)Nc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000104367640 370343813 /nfs/dbraw/zinc/34/38/13/370343813.db2.gz KXYFBGMXPABVQH-VXGBXAGGSA-N -1 3 299.378 3.022 20 0 CGADHM C[C@@H]1CCC[C@@H](CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000104367640 370343819 /nfs/dbraw/zinc/34/38/19/370343819.db2.gz KXYFBGMXPABVQH-VXGBXAGGSA-N -1 3 299.378 3.022 20 0 CGADHM Cc1ccc(NC(=O)C[C@@H]2OCCc3ccccc32)c([O-])c1 ZINC000115707952 370540260 /nfs/dbraw/zinc/54/02/60/370540260.db2.gz VUVDZJJZXXQSHF-KRWDZBQOSA-N -1 3 297.354 3.343 20 0 CGADHM Cc1csc(C(C)(C)NC(=O)c2cccc(C)c2[O-])n1 ZINC000116144418 370550122 /nfs/dbraw/zinc/55/01/22/370550122.db2.gz PUJJUAJXBMOUFM-UHFFFAOYSA-N -1 3 290.388 3.131 20 0 CGADHM C[C@H]1C[C@H](c2ccccc2)CN1C(=O)c1ccccc1[O-] ZINC000115143545 370524473 /nfs/dbraw/zinc/52/44/73/370524473.db2.gz ZFIZRCKKIWATAF-ZFWWWQNUSA-N -1 3 281.355 3.410 20 0 CGADHM COc1ccc([O-])c(C(=O)N2CCCC[C@@H]2C(C)C)c1 ZINC000117196542 370582475 /nfs/dbraw/zinc/58/24/75/370582475.db2.gz PBRHOCLPADMEFF-CQSZACIVSA-N -1 3 277.364 3.052 20 0 CGADHM Cc1ccc([O-])c(CN(Cc2cccs2)C2CC2)n1 ZINC000130241495 371019679 /nfs/dbraw/zinc/01/96/79/371019679.db2.gz BIZGPPVVCFXXGQ-UHFFFAOYSA-N -1 3 274.389 3.322 20 0 CGADHM COc1ccccc1C[C@@H](C)N(C)C(=O)c1ccccc1[O-] ZINC000131956879 371141343 /nfs/dbraw/zinc/14/13/43/371141343.db2.gz FAGLGWWCNWPHQP-CYBMUJFWSA-N -1 3 299.370 3.104 20 0 CGADHM O=C(/C=C/c1ccc(Cl)s1)[N-]OC1CCCC1 ZINC000135141273 371394363 /nfs/dbraw/zinc/39/43/63/371394363.db2.gz STGOZKIVEVDDMF-SOFGYWHQSA-N -1 3 271.769 3.405 20 0 CGADHM C[C@H]([N-]C(=O)C(F)F)c1ccc(Br)cc1F ZINC000286621569 371528414 /nfs/dbraw/zinc/52/84/14/371528414.db2.gz LWVULNGHJZWAAK-YFKPBYRVSA-N -1 3 296.086 3.031 20 0 CGADHM Cc1ccc([O-])c(C(=O)NCC2(c3ccccc3)CC2)c1 ZINC000021523859 541855575 /nfs/dbraw/zinc/85/55/75/541855575.db2.gz RQMRKSLXIYHFDS-UHFFFAOYSA-N -1 3 281.355 3.162 20 0 CGADHM O=C(c1cccc([O-])c1)N1CC[C@H](C2CCCC2)C1 ZINC000421946270 371711578 /nfs/dbraw/zinc/71/15/78/371711578.db2.gz ICSGJACZBPIYCI-AWEZNQCLSA-N -1 3 259.349 3.045 20 0 CGADHM O=C(Nc1ccc(Cl)cc1[O-])c1cccs1 ZINC000153656984 371779920 /nfs/dbraw/zinc/77/99/20/371779920.db2.gz FICPRIKZRVQPOY-UHFFFAOYSA-N -1 3 253.710 3.359 20 0 CGADHM CCc1cccc(C(=O)N2CC[C@H](C)[C@H](C)C2)c1[O-] ZINC000153754106 371784865 /nfs/dbraw/zinc/78/48/65/371784865.db2.gz FQLXSRMVAIQHTB-NWDGAFQWSA-N -1 3 261.365 3.073 20 0 CGADHM [O-]C(=NOC/C=C/Cl)Nc1ccc(OCC2CC2)cc1 ZINC000289780461 371820684 /nfs/dbraw/zinc/82/06/84/371820684.db2.gz YBNSXCXUHWHXLB-UNXLUWIOSA-N -1 3 296.754 3.281 20 0 CGADHM O=C([N-]OC/C=C/Cl)Nc1ccc(OCC2CC2)cc1 ZINC000289780461 371820694 /nfs/dbraw/zinc/82/06/94/371820694.db2.gz YBNSXCXUHWHXLB-UNXLUWIOSA-N -1 3 296.754 3.281 20 0 CGADHM Cc1ccc(NC([O-])=NOC/C=C/Cl)c(C)c1 ZINC000289938744 371856857 /nfs/dbraw/zinc/85/68/57/371856857.db2.gz PMNQHWNVCSWDRW-ZZXKWVIFSA-N -1 3 254.717 3.109 20 0 CGADHM Cc1ccc(NC(=O)[N-]OC/C=C/Cl)c(C)c1 ZINC000289938744 371856862 /nfs/dbraw/zinc/85/68/62/371856862.db2.gz PMNQHWNVCSWDRW-ZZXKWVIFSA-N -1 3 254.717 3.109 20 0 CGADHM O=C(Cc1ccc([O-])cc1Cl)N1CCC[C@@H]2CCC[C@H]21 ZINC000154812147 371881313 /nfs/dbraw/zinc/88/13/13/371881313.db2.gz LDOMRPPDOFTBNI-XHDPSFHLSA-N -1 3 293.794 3.379 20 0 CGADHM O=C([O-])C[C@@H](NCc1ccc(F)c(F)c1)c1cccs1 ZINC000037087879 541861020 /nfs/dbraw/zinc/86/10/20/541861020.db2.gz CTZFDAPTAATPDZ-GFCCVEGCSA-N -1 3 297.326 3.332 20 0 CGADHM Cc1ccc(Cl)cc1C(=O)Nc1ncccc1[O-] ZINC000156178960 371966203 /nfs/dbraw/zinc/96/62/03/371966203.db2.gz ZQKURXSXCMPGIQ-UHFFFAOYSA-N -1 3 262.696 3.001 20 0 CGADHM CC1(C(=O)NCc2ccc([O-])c(F)c2)CCCCC1 ZINC000156408926 371976765 /nfs/dbraw/zinc/97/67/65/371976765.db2.gz IGXBGOUTZHPQAH-UHFFFAOYSA-N -1 3 265.328 3.118 20 0 CGADHM Cc1c(Cl)cccc1NC(=O)[N-]OCC1CC1 ZINC000292791245 372211700 /nfs/dbraw/zinc/21/17/00/372211700.db2.gz MTPWUNPKGCVARX-UHFFFAOYSA-N -1 3 254.717 3.112 20 0 CGADHM O=C([N-]OCC1CC1)Nc1ccc(F)cc1C(F)(F)F ZINC000292826503 372220128 /nfs/dbraw/zinc/22/01/28/372220128.db2.gz DHYHRPJPVDZSAM-UHFFFAOYSA-N -1 3 292.232 3.308 20 0 CGADHM Cc1ncc(CNCc2ccc(C(C)(C)C)cc2)c(=O)[n-]1 ZINC000344324700 217149482 /nfs/dbraw/zinc/14/94/82/217149482.db2.gz HCWDINKKPPFPDN-UHFFFAOYSA-N -1 3 285.391 3.078 20 0 CGADHM COCCC(C)(C)CNCc1cccc([O-])c1Cl ZINC000293315839 372351525 /nfs/dbraw/zinc/35/15/25/372351525.db2.gz QPCOCTKKSACJLC-UHFFFAOYSA-N -1 3 271.788 3.198 20 0 CGADHM C[C@]1(NCc2cccc([O-])c2Cl)CCO[C@@H]1C1CC1 ZINC000293384878 372371204 /nfs/dbraw/zinc/37/12/04/372371204.db2.gz WMILPGQOJJLREA-CABCVRRESA-N -1 3 281.783 3.093 20 0 CGADHM Cc1cc(C)c2[n-]cc(C(=O)N(C)CC3CC3)c(=O)c2c1 ZINC000162387409 372391470 /nfs/dbraw/zinc/39/14/70/372391470.db2.gz XECRZOBEMDPFLU-UHFFFAOYSA-N -1 3 284.359 3.039 20 0 CGADHM C[C@H](CC(=O)[N-]OCCC(F)(F)F)c1cccc(F)c1 ZINC000162845612 372427451 /nfs/dbraw/zinc/42/74/51/372427451.db2.gz SMDNYTQWNKRVER-SECBINFHSA-N -1 3 293.260 3.320 20 0 CGADHM CCc1cc(=O)[n-]c(CN2CCCC[C@@H]2[C@@H](C)CC)n1 ZINC000344398158 217180425 /nfs/dbraw/zinc/18/04/25/217180425.db2.gz INNJJUIOSYQQOR-GXTWGEPZSA-N -1 3 277.412 3.145 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CC3(CCC3)[C@H]2C(C)C)c1 ZINC000293716614 372458754 /nfs/dbraw/zinc/45/87/54/372458754.db2.gz JPDIXOIUUMCRIY-OAHLLOKOSA-N -1 3 273.376 3.351 20 0 CGADHM O=C(NCc1ccc([O-])c(F)c1)c1ccc2c(c1)CCC=C2 ZINC000431793022 372504947 /nfs/dbraw/zinc/50/49/47/372504947.db2.gz FOSURVSIRKFAJY-UHFFFAOYSA-N -1 3 297.329 3.421 20 0 CGADHM [O-]c1cccc(CN[C@@H]2[C@H]3Cc4ccccc4[C@@H]23)c1Cl ZINC000293912996 372523411 /nfs/dbraw/zinc/52/34/11/372523411.db2.gz LZEXAQLMAWGVHP-YSVLISHTSA-N -1 3 285.774 3.474 20 0 CGADHM C[C@]12CCN(Cc3c(F)ccc([O-])c3F)C[C@H]1C2(F)F ZINC000294010892 372554956 /nfs/dbraw/zinc/55/49/56/372554956.db2.gz UGPBVIPLQMGLKS-YPMHNXCESA-N -1 3 289.272 3.148 20 0 CGADHM CC[C@H](C)N(CC(=O)[O-])Cc1cc(Cl)ccc1F ZINC000165664414 372556116 /nfs/dbraw/zinc/55/61/16/372556116.db2.gz AYKPBOMMTRPXHG-VIFPVBQESA-N -1 3 273.735 3.164 20 0 CGADHM CC(C)CN(CC(=O)[O-])Cc1cc(Cl)ccc1F ZINC000165672615 372556586 /nfs/dbraw/zinc/55/65/86/372556586.db2.gz BBCGJOSVYAPXHA-UHFFFAOYSA-N -1 3 273.735 3.022 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CC(C)(C)[C@@H]2c2ccncc2)c1 ZINC000294066780 372571550 /nfs/dbraw/zinc/57/15/50/372571550.db2.gz WPFQUSFXDAVZRD-INIZCTEOSA-N -1 3 296.370 3.319 20 0 CGADHM CC(C)(C)C(=O)CCCC(=O)[N-]OCc1ccccc1 ZINC000294283511 372639396 /nfs/dbraw/zinc/63/93/96/372639396.db2.gz FMHBTEAOBRJJLQ-UHFFFAOYSA-N -1 3 277.364 3.020 20 0 CGADHM O=[S@@](Cc1ccccc1OC(F)F)c1ccc([O-])cc1 ZINC000170973617 372693430 /nfs/dbraw/zinc/69/34/30/372693430.db2.gz OABFURMHODSDQS-FQEVSTJZSA-N -1 3 298.310 3.301 20 0 CGADHM C[C@@H]1CCN(C(=O)c2ccsn2)c2c([O-])cccc21 ZINC000295133011 372694385 /nfs/dbraw/zinc/69/43/85/372694385.db2.gz CQPYRIKISZIABF-SECBINFHSA-N -1 3 274.345 3.003 20 0 CGADHM Cc1cc([N-]C(=O)[C@H](C)Nc2cccc(C(F)F)c2)on1 ZINC000171120415 372715015 /nfs/dbraw/zinc/71/50/15/372715015.db2.gz UZMZSPQZKVEAJF-VIFPVBQESA-N -1 3 295.289 3.360 20 0 CGADHM CC[C@@H]1C[C@H]1[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000435629713 372787770 /nfs/dbraw/zinc/78/77/70/372787770.db2.gz UVPTZUAHGMVKMC-RDDDGLTNSA-N -1 3 294.203 3.070 20 0 CGADHM CCc1ccsc1C(=O)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000435677298 372793400 /nfs/dbraw/zinc/79/34/00/372793400.db2.gz DOUJUYJTXSLHOL-UHFFFAOYSA-N -1 3 297.383 3.375 20 0 CGADHM CC(C)CC(C)(C)CNC(=O)NCc1ccc([O-])c(F)c1 ZINC000435515707 372773439 /nfs/dbraw/zinc/77/34/39/372773439.db2.gz IFVBNDPBRHUREF-UHFFFAOYSA-N -1 3 296.386 3.403 20 0 CGADHM O=C(Nc1cccc([O-])c1F)[C@H]1C[C@]12CCc1ccccc12 ZINC000335773839 284352084 /nfs/dbraw/zinc/35/20/84/284352084.db2.gz DJACVHDBNRVHQU-ACJLOTCBSA-N -1 3 297.329 3.374 20 0 CGADHM C[C@H]1CCC[C@H](N(C)C(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000172626680 372995451 /nfs/dbraw/zinc/99/54/51/372995451.db2.gz XBUNDPAWINAGMC-AAEUAGOBSA-N -1 3 294.370 3.251 20 0 CGADHM CCCC(=O)Nc1cccc(NC([O-])=NOC(C)C)c1C ZINC000296285917 373079278 /nfs/dbraw/zinc/07/92/78/373079278.db2.gz BVZHVYVQKQTKOG-UHFFFAOYSA-N -1 3 293.367 3.195 20 0 CGADHM CCCC(=O)Nc1cccc(NC(=O)[N-]OC(C)C)c1C ZINC000296285917 373079284 /nfs/dbraw/zinc/07/92/84/373079284.db2.gz BVZHVYVQKQTKOG-UHFFFAOYSA-N -1 3 293.367 3.195 20 0 CGADHM O=C(Nc1ccc(OC(F)(F)F)cc1[O-])c1ccco1 ZINC000442806113 373091564 /nfs/dbraw/zinc/09/15/64/373091564.db2.gz BNARCMLBPKLDJP-UHFFFAOYSA-N -1 3 287.193 3.136 20 0 CGADHM CC[C@@H]1CCCCCN1C(=O)c1c[n-]c2ccccc2c1=O ZINC000173257191 373114969 /nfs/dbraw/zinc/11/49/69/373114969.db2.gz QPWLIJVLTUKCMD-CYBMUJFWSA-N -1 3 298.386 3.323 20 0 CGADHM COc1cc(C(=O)NCCCCC(C)(C)C)ccc1[O-] ZINC000442960313 373133201 /nfs/dbraw/zinc/13/32/01/373133201.db2.gz HHUZHNLTFLORFH-UHFFFAOYSA-N -1 3 279.380 3.347 20 0 CGADHM COc1cc(C(=O)N[C@H]2CCC[C@H](C(C)C)C2)ccc1[O-] ZINC000442958007 373133692 /nfs/dbraw/zinc/13/36/92/373133692.db2.gz PSKCARVFFPFTGN-JSGCOSHPSA-N -1 3 291.391 3.345 20 0 CGADHM O=C(c1ccc2c(c1[O-])CCCC2)N1CCCC12CCC2 ZINC000444605113 373212590 /nfs/dbraw/zinc/21/25/90/373212590.db2.gz BYVMPBCFSZHQFA-UHFFFAOYSA-N -1 3 285.387 3.430 20 0 CGADHM CC(C)ON=C([O-])Nc1cc(F)ccc1Br ZINC000296754105 373235009 /nfs/dbraw/zinc/23/50/09/373235009.db2.gz YIPGQERVJQHFCS-UHFFFAOYSA-N -1 3 291.120 3.050 20 0 CGADHM CC(C)O[N-]C(=O)Nc1cc(F)ccc1Br ZINC000296754105 373235012 /nfs/dbraw/zinc/23/50/12/373235012.db2.gz YIPGQERVJQHFCS-UHFFFAOYSA-N -1 3 291.120 3.050 20 0 CGADHM CC(C)OCc1nc(=O)c2cc(C(C)(C)C)sc2[n-]1 ZINC000174037173 373240154 /nfs/dbraw/zinc/24/01/54/373240154.db2.gz IPCFPGPHKYCCHM-UHFFFAOYSA-N -1 3 280.393 3.207 20 0 CGADHM CCn1c(C)cc(C(=O)Nc2cc(F)ccc2[O-])c1C ZINC000174893847 373377418 /nfs/dbraw/zinc/37/74/18/373377418.db2.gz QRODYLNCCRZAJR-UHFFFAOYSA-N -1 3 276.311 3.222 20 0 CGADHM Cc1cnc(NC(=O)CCCc2ccc([O-])c(F)c2)s1 ZINC000344997382 217380825 /nfs/dbraw/zinc/38/08/25/217380825.db2.gz DAHYOLFRMDKFEP-UHFFFAOYSA-N -1 3 294.351 3.258 20 0 CGADHM O=C(NCc1ccc([O-])c(F)c1)N1CCC[C@H]2CCC[C@H]21 ZINC000175191319 373427305 /nfs/dbraw/zinc/42/73/05/373427305.db2.gz JIDYLAJNZXQTTG-TZMCWYRMSA-N -1 3 292.354 3.005 20 0 CGADHM COc1cccc(C(=O)N(CC2CC2)c2ccccc2)c1[O-] ZINC000175381136 373459264 /nfs/dbraw/zinc/45/92/64/373459264.db2.gz DLLWQYCNCWAUJE-UHFFFAOYSA-N -1 3 297.354 3.458 20 0 CGADHM Cc1ncc(CN[C@@H]2C[C@H](C(C)C)c3ccccc32)c(=O)[n-]1 ZINC000447596207 373461774 /nfs/dbraw/zinc/46/17/74/373461774.db2.gz BWCNROMWCOAFJQ-IAGOWNOFSA-N -1 3 297.402 3.465 20 0 CGADHM C[C@@H](Cc1ccccc1F)C(=O)Nc1cc(F)ccc1[O-] ZINC000178326141 373766850 /nfs/dbraw/zinc/76/68/50/373766850.db2.gz CWYFYMHOQLMPPG-JTQLQIEISA-N -1 3 291.297 3.488 20 0 CGADHM [O-]c1ccc(F)c(CNC[C@@H]2CCOC3(CCC3)C2)c1F ZINC000449479038 373767679 /nfs/dbraw/zinc/76/76/79/373767679.db2.gz LLIZRAHQKXDMGL-LLVKDONJSA-N -1 3 297.345 3.109 20 0 CGADHM CC(C)C[C@H]1OCCC[C@@H]1[N-]c1nc(C(C)C)no1 ZINC000302514924 373885297 /nfs/dbraw/zinc/88/52/97/373885297.db2.gz XXIVLZOSNQZWQU-NWDGAFQWSA-N -1 3 267.373 3.199 20 0 CGADHM O=C(CC1(O)CCCCC1)Nc1ccc(Cl)cc1[O-] ZINC000179637479 373896602 /nfs/dbraw/zinc/89/66/02/373896602.db2.gz LCGAQDMGJOLXRX-UHFFFAOYSA-N -1 3 283.755 3.069 20 0 CGADHM CCOCCC1(C(=O)Nc2cc(F)ccc2[O-])CCCC1 ZINC000179651443 373898393 /nfs/dbraw/zinc/89/83/93/373898393.db2.gz WGLSIRKPERGNLB-UHFFFAOYSA-N -1 3 295.354 3.457 20 0 CGADHM COc1cccc(C(=O)N[C@@H](c2ccccc2)C2CC2)c1[O-] ZINC000302994429 374008024 /nfs/dbraw/zinc/00/80/24/374008024.db2.gz WVFUPUOQKXCSLA-INIZCTEOSA-N -1 3 297.354 3.282 20 0 CGADHM Cc1ccc(OCCCNC(=O)c2cccc(C)c2[O-])cc1 ZINC000303093460 374009644 /nfs/dbraw/zinc/00/96/44/374009644.db2.gz DYCPQVBSXOUSDK-UHFFFAOYSA-N -1 3 299.370 3.208 20 0 CGADHM Cc1cccc(OC[C@@H](C)NC(=O)c2cccc(C)c2[O-])c1 ZINC000303057021 374009834 /nfs/dbraw/zinc/00/98/34/374009834.db2.gz ZIXLULSXTCSQKS-CQSZACIVSA-N -1 3 299.370 3.206 20 0 CGADHM C[C@@H]1CC[C@@H](C(=O)NCc2ccc([O-])c(F)c2)C[C@H]1C ZINC000449911638 373967948 /nfs/dbraw/zinc/96/79/48/373967948.db2.gz ITYQEELCFFEZTB-NQBHXWOUSA-N -1 3 279.355 3.220 20 0 CGADHM CC(C)(C)C[C@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC000307781325 374152457 /nfs/dbraw/zinc/15/24/57/374152457.db2.gz VBEAMFFIYCOOAP-GFCCVEGCSA-N -1 3 261.365 3.291 20 0 CGADHM O=C([O-])[C@@H]1C=C[C@@H](NCc2cc(Cl)ccc2Cl)C1 ZINC000310817965 374226086 /nfs/dbraw/zinc/22/60/86/374226086.db2.gz GXXIDFVLVOTJBI-LDYMZIIASA-N -1 3 286.158 3.112 20 0 CGADHM Cc1cccc(C(C)(C)NC(=O)c2cccc([O-])c2)c1 ZINC000182473059 374279320 /nfs/dbraw/zinc/27/93/20/374279320.db2.gz RRFIFAQVMCSEPD-UHFFFAOYSA-N -1 3 269.344 3.366 20 0 CGADHM O=C(c1cccc([O-])c1)N1CCc2c1cccc2Cl ZINC000182596119 374295129 /nfs/dbraw/zinc/29/51/29/374295129.db2.gz TYAWLEUPDJVGFM-UHFFFAOYSA-N -1 3 273.719 3.249 20 0 CGADHM Cc1cccc([C@@H](C)CNC(=O)c2cccc([O-])c2)c1 ZINC000182495612 374281552 /nfs/dbraw/zinc/28/15/52/374281552.db2.gz KWDPWDLPMORTJN-ZDUSSCGKSA-N -1 3 269.344 3.234 20 0 CGADHM Cc1ccc(C(=O)N2C[C@@H](C)C[C@H]2c2cccnc2)c([O-])c1 ZINC000182770714 374324350 /nfs/dbraw/zinc/32/43/50/374324350.db2.gz DKCPRLGEGAXBBQ-BBRMVZONSA-N -1 3 296.370 3.319 20 0 CGADHM Cc1cccc([O-])c1NC(=O)[C@@H](C)n1cnc2ccccc21 ZINC000183036388 374359705 /nfs/dbraw/zinc/35/97/05/374359705.db2.gz WBXDPNBWXYSHEG-GFCCVEGCSA-N -1 3 295.342 3.250 20 0 CGADHM [O-]c1cccc(CNC[C@H]2CCCS2)c1Cl ZINC000328231798 374363123 /nfs/dbraw/zinc/36/31/23/374363123.db2.gz OKWISFIYJDAOJP-SNVBAGLBSA-N -1 3 257.786 3.031 20 0 CGADHM O=C(CCc1ccsc1)Nc1ccc([O-])cc1F ZINC000183251271 374390968 /nfs/dbraw/zinc/39/09/68/374390968.db2.gz QKFJOIOUIMGBRP-UHFFFAOYSA-N -1 3 265.309 3.164 20 0 CGADHM O=c1[n-]c(CN2CCC23CCC3)nc2c3ccccc3oc21 ZINC000329895319 374439886 /nfs/dbraw/zinc/43/98/86/374439886.db2.gz BTKQLNJJUVBTJP-UHFFFAOYSA-N -1 3 295.342 3.210 20 0 CGADHM O=[S@](Cc1c(F)cccc1Cl)c1cccc([O-])c1 ZINC000184039773 374483425 /nfs/dbraw/zinc/48/34/25/374483425.db2.gz FEGHKDVLFUQLBX-GOSISDBHSA-N -1 3 284.739 3.493 20 0 CGADHM [O-]c1cc(F)cc(CNc2cc(F)cc(F)c2)c1 ZINC000184132407 374494912 /nfs/dbraw/zinc/49/49/12/374494912.db2.gz QNPJUCCOOLNCDZ-UHFFFAOYSA-N -1 3 253.223 3.422 20 0 CGADHM CC[C@H]1CC[C@H](C(=O)Nc2cc(Cl)cc(C)c2[O-])O1 ZINC000330497118 374473799 /nfs/dbraw/zinc/47/37/99/374473799.db2.gz XVUPBORBQLSKKP-CMPLNLGQSA-N -1 3 283.755 3.250 20 0 CGADHM Cc1cc(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])on1 ZINC000331224236 374514506 /nfs/dbraw/zinc/51/45/06/374514506.db2.gz BDFSQHMTOSKKGF-UHFFFAOYSA-N -1 3 274.320 3.238 20 0 CGADHM C[C@H](NCc1cc([O-])cc(F)c1)c1cccs1 ZINC000184134808 374497097 /nfs/dbraw/zinc/49/70/97/374497097.db2.gz FDGSFZJDMRIDKP-VIFPVBQESA-N -1 3 251.326 3.444 20 0 CGADHM C[C@H]1C[C@H](CC(=O)NCc2ncccc2[O-])CC(C)(C)C1 ZINC000331029688 374497754 /nfs/dbraw/zinc/49/77/54/374497754.db2.gz YGVQIFPKLZOIKA-QWHCGFSZSA-N -1 3 290.407 3.256 20 0 CGADHM CCO[C@@H]1C[C@H]1C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000332027299 374549773 /nfs/dbraw/zinc/54/97/73/374549773.db2.gz WRMCQEQYZHJWHB-BXUZGUMPSA-N -1 3 277.364 3.053 20 0 CGADHM CC[C@@H]1CCCCCN1C(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000332289639 374564596 /nfs/dbraw/zinc/56/45/96/374564596.db2.gz SQGPWXCVWJCNRX-CQSZACIVSA-N -1 3 289.375 3.390 20 0 CGADHM Cc1cc2c(cc1C)[C@@H](C(=O)Nc1ccccc1[O-])CO2 ZINC000184846313 374564665 /nfs/dbraw/zinc/56/46/65/374564665.db2.gz BZZQBAWTJWLKRS-ZDUSSCGKSA-N -1 3 283.327 3.124 20 0 CGADHM C[C@H](CN1CCCC[C@@H]1c1n[nH]c(=O)[n-]1)C1CCCCC1 ZINC000333638191 374611828 /nfs/dbraw/zinc/61/18/28/374611828.db2.gz BQIUCPUYXXQWEE-TZMCWYRMSA-N -1 3 292.427 3.254 20 0 CGADHM [O-]c1ccc(Br)c(/C=C/c2ccncn2)c1 ZINC000334443430 374757063 /nfs/dbraw/zinc/75/70/63/374757063.db2.gz DVBOZRDHLJWEAF-OWOJBTEDSA-N -1 3 277.121 3.115 20 0 CGADHM O=C(c1ccc(O)cc1[O-])N1CC2(CCC2)[C@H]1c1ccco1 ZINC000335063956 296222418 /nfs/dbraw/zinc/22/24/18/296222418.db2.gz QCDDWWCYMSJHAK-OAHLLOKOSA-N -1 3 299.326 3.058 20 0 CGADHM COc1cccc(C(=O)N(C)C2CCC(F)(F)CC2)c1[O-] ZINC000334254473 206263314 /nfs/dbraw/zinc/26/33/14/206263314.db2.gz XYCZUWROHOCNIO-UHFFFAOYSA-N -1 3 299.317 3.051 20 0 CGADHM COC(=O)c1cnc(S[C@@H](C)c2cccc(F)c2)[n-]1 ZINC000187587931 375050285 /nfs/dbraw/zinc/05/02/85/375050285.db2.gz WQWLRDPCLJWAHA-QMMMGPOBSA-N -1 3 280.324 3.189 20 0 CGADHM COC(=O)c1cnc(S[C@H]2CCCc3ccccc32)[n-]1 ZINC000187591772 375050369 /nfs/dbraw/zinc/05/03/69/375050369.db2.gz VTROUSCONDOFGK-ZDUSSCGKSA-N -1 3 288.372 3.366 20 0 CGADHM C[C@@H]1C[C@@H](C)[C@@H](C)N(C(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000473830688 375061752 /nfs/dbraw/zinc/06/17/52/375061752.db2.gz QHPXYSYLZWZSEP-IJLUTSLNSA-N -1 3 294.370 3.107 20 0 CGADHM Cc1cccc2c(=O)c(C(=O)N3CCCC[C@H]3C)c[n-]c12 ZINC000188170888 375170047 /nfs/dbraw/zinc/17/00/47/375170047.db2.gz NTLVRVKAAOEZAX-GFCCVEGCSA-N -1 3 284.359 3.263 20 0 CGADHM CCc1ccc(C(=O)N(C)Cc2ccc(F)cc2)c([O-])c1 ZINC000188559128 375233482 /nfs/dbraw/zinc/23/34/82/375233482.db2.gz NDHZOBBLWPHIHK-UHFFFAOYSA-N -1 3 287.334 3.366 20 0 CGADHM O=C(N[C@H]1C=CCCC1)c1cc([O-])ccc1C(F)(F)F ZINC000189269985 375351846 /nfs/dbraw/zinc/35/18/46/375351846.db2.gz FWHGPSHTGLPOLN-VIFPVBQESA-N -1 3 285.265 3.250 20 0 CGADHM Cc1noc(C)c1C(C)(C)C(=O)Nc1ccc([O-])cc1F ZINC000335698517 375355665 /nfs/dbraw/zinc/35/56/65/375355665.db2.gz WWICRNZBAZZFHP-UHFFFAOYSA-N -1 3 292.310 3.052 20 0 CGADHM CCc1ccc(C(=O)N2CCC[C@@H](CC)C2)c([O-])c1 ZINC000189594211 375421624 /nfs/dbraw/zinc/42/16/24/375421624.db2.gz UVSKWQRCQRGCRK-CYBMUJFWSA-N -1 3 261.365 3.217 20 0 CGADHM CCCCOc1ccc(C(=O)N2CCC[C@@H]2C)c([O-])c1 ZINC000190538968 375518154 /nfs/dbraw/zinc/51/81/54/375518154.db2.gz NKCASCPYFGDRIM-LBPRGKRZSA-N -1 3 277.364 3.196 20 0 CGADHM O=C(Nc1ccc(Cl)cc1[O-])c1conc1C1CC1 ZINC000336013793 375618856 /nfs/dbraw/zinc/61/88/56/375618856.db2.gz JGVYFGDSPRYXIE-UHFFFAOYSA-N -1 3 278.695 3.163 20 0 CGADHM [O-]c1ccc(F)c(CN2C[C@H]3CCCC[C@@H]3C2)c1F ZINC000508598101 375752114 /nfs/dbraw/zinc/75/21/14/375752114.db2.gz ZBWUJHKZHHQHSZ-GHMZBOCLSA-N -1 3 267.319 3.292 20 0 CGADHM CC(C)[C@@H]1CCN(Cc2c(F)ccc([O-])c2F)C1 ZINC000509039321 375770340 /nfs/dbraw/zinc/77/03/40/375770340.db2.gz OOSKEOAGBZVJBP-SNVBAGLBSA-N -1 3 255.308 3.148 20 0 CGADHM Clc1ccsc1C[N-]c1nnc([C@H]2CCCO2)o1 ZINC000192752061 375786334 /nfs/dbraw/zinc/78/63/34/375786334.db2.gz XXOZAAGLVYHOMQ-MRVPVSSYSA-N -1 3 285.756 3.248 20 0 CGADHM CCC1(C(=O)Nc2cc(Cl)cc(C)c2[O-])CCOCC1 ZINC000336552398 375827723 /nfs/dbraw/zinc/82/77/23/375827723.db2.gz JVWLWHGMCZRNGS-UHFFFAOYSA-N -1 3 297.782 3.499 20 0 CGADHM CC(=O)c1ccc(C(=O)Nc2cc(C)ccc2[O-])c(F)c1 ZINC000336558837 375830888 /nfs/dbraw/zinc/83/08/88/375830888.db2.gz ZNMXRQXUACPDLE-UHFFFAOYSA-N -1 3 287.290 3.295 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])c1c[nH]c(C(F)(F)F)c1 ZINC000336619293 375880901 /nfs/dbraw/zinc/88/09/01/375880901.db2.gz OCXADMSESGVDOA-UHFFFAOYSA-N -1 3 288.200 3.131 20 0 CGADHM [O-]c1cccc(CNCc2ccc(O)cc2)c1Cl ZINC000336897116 376025342 /nfs/dbraw/zinc/02/53/42/376025342.db2.gz OTBSHQYGYGWGGR-UHFFFAOYSA-N -1 3 263.724 3.041 20 0 CGADHM C[C@H]1CCC[C@@H]1CNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000534450665 375986624 /nfs/dbraw/zinc/98/66/24/375986624.db2.gz DWLGNCLUYHZDSN-GXTWGEPZSA-N -1 3 293.382 3.406 20 0 CGADHM C[C@H]([N-]C(=O)C(F)F)c1ccc(Cl)cc1Cl ZINC000217613073 376177797 /nfs/dbraw/zinc/17/77/97/376177797.db2.gz JMSDQHCRIAAFAO-YFKPBYRVSA-N -1 3 268.090 3.436 20 0 CGADHM Cc1cccc([O-])c1NC(=O)CC1CCSCC1 ZINC000537613864 376181163 /nfs/dbraw/zinc/18/11/63/376181163.db2.gz RWEGGUCVLYWGJO-UHFFFAOYSA-N -1 3 265.378 3.172 20 0 CGADHM C[C@@H]1CCN(C(=O)c2ccccc2[O-])[C@@H]2CCCC[C@@H]12 ZINC000536692057 376123104 /nfs/dbraw/zinc/12/31/04/376123104.db2.gz KBUUURJYJZZRES-VNHYZAJKSA-N -1 3 273.376 3.433 20 0 CGADHM Cc1ccc([O-])c(C(=O)N(Cc2ccccn2)C(C)C)c1 ZINC000538742202 376267218 /nfs/dbraw/zinc/26/72/18/376267218.db2.gz XDEQVQHUUBMFEI-UHFFFAOYSA-N -1 3 284.359 3.146 20 0 CGADHM CCc1cccc(C(=O)N[C@H](COC)c2ccccc2)c1[O-] ZINC000538817861 376274604 /nfs/dbraw/zinc/27/46/04/376274604.db2.gz AGHSCQBVSVWLEE-MRXNPFEDSA-N -1 3 299.370 3.072 20 0 CGADHM CC(C)Cc1nnc([N-]C(=O)c2cccc(F)c2F)s1 ZINC000227739179 376407606 /nfs/dbraw/zinc/40/76/06/376407606.db2.gz VNHAULGDAQYRRH-UHFFFAOYSA-N -1 3 297.330 3.267 20 0 CGADHM Cc1nc2c(cccc2C(=O)Nc2c(C)cccc2[O-])[nH]1 ZINC000338551019 376423979 /nfs/dbraw/zinc/42/39/79/376423979.db2.gz GMSVCNDOAYFJJC-UHFFFAOYSA-N -1 3 281.315 3.138 20 0 CGADHM Cc1cc(C(=O)N(CC(C)C)CC(C)C)ccc1[O-] ZINC000226997163 376376857 /nfs/dbraw/zinc/37/68/57/376376857.db2.gz KQCKZKOILUFABK-UHFFFAOYSA-N -1 3 263.381 3.455 20 0 CGADHM Cc1cc(C(=O)N[C@@H](C)c2cccs2)ccc1[O-] ZINC000227013306 376377267 /nfs/dbraw/zinc/37/72/67/376377267.db2.gz KYZUVAPGPFNVPJ-JTQLQIEISA-N -1 3 261.346 3.253 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)[C@H]2CCSC2)c1[O-] ZINC000334297402 206327306 /nfs/dbraw/zinc/32/73/06/206327306.db2.gz CWTSROFHJKQLNL-QMMMGPOBSA-N -1 3 271.769 3.046 20 0 CGADHM CS[C@H]1CCC[C@@H](NC(=O)c2cc([O-])ccc2Cl)C1 ZINC000235126587 376632545 /nfs/dbraw/zinc/63/25/45/376632545.db2.gz WUNHPYGDIFERDS-KOLCDFICSA-N -1 3 299.823 3.450 20 0 CGADHM C[C@H]1CCCN(C(=O)c2cc([O-])ccc2Cl)CC1 ZINC000235616906 376646840 /nfs/dbraw/zinc/64/68/40/376646840.db2.gz XJDJNGBNYDOSNU-JTQLQIEISA-N -1 3 267.756 3.308 20 0 CGADHM C[C@H]1CCC[C@H](NC(=O)c2cc([O-])ccc2Cl)C1 ZINC000235702324 376649600 /nfs/dbraw/zinc/64/96/00/376649600.db2.gz DDIMRXHEZFHYRA-UWVGGRQHSA-N -1 3 267.756 3.354 20 0 CGADHM C[C@@H]1CCN(C(=O)c2cccc([O-])c2)[C@@H]2CCCC[C@@H]12 ZINC000543746468 376673468 /nfs/dbraw/zinc/67/34/68/376673468.db2.gz PQRFXJGRFQGJMZ-UHOFOFEASA-N -1 3 273.376 3.433 20 0 CGADHM CC(C)[C@@H](c1ccccc1Cl)N(C)CC(=O)[O-] ZINC000236711743 376685665 /nfs/dbraw/zinc/68/56/65/376685665.db2.gz FRNLWGGZVAQDFJ-ZDUSSCGKSA-N -1 3 255.745 3.054 20 0 CGADHM Cc1ccc(-c2n[nH]cc2C=Cc2nc(C)cc(=O)[n-]2)cc1 ZINC000339116602 376691910 /nfs/dbraw/zinc/69/19/10/376691910.db2.gz SBISFKIHQALTOS-BQYQJAHWSA-N -1 3 292.342 3.360 20 0 CGADHM O=C1[C@@H]([N-]c2nc3ccccc3o2)CCN1C1CCCCC1 ZINC000151504480 542101779 /nfs/dbraw/zinc/10/17/79/542101779.db2.gz FRNCAJOCIDAZRO-AWEZNQCLSA-N -1 3 299.374 3.173 20 0 CGADHM CC(=O)c1cccc(NC(=O)c2ccc3c(c2)CCC3)c1[O-] ZINC000556892511 376901911 /nfs/dbraw/zinc/90/19/11/376901911.db2.gz KMJGVAGWUJYQJC-UHFFFAOYSA-N -1 3 295.338 3.336 20 0 CGADHM CC[C@@H](C(=O)Nc1c([O-])cccc1Cl)N(CC)CC ZINC000558472513 377011876 /nfs/dbraw/zinc/01/18/76/377011876.db2.gz GQDLZYZQEDQHAW-NSHDSACASA-N -1 3 284.787 3.105 20 0 CGADHM O=C(c1cccc([O-])c1)N1CCCc2cc(F)ccc21 ZINC000182124006 296253522 /nfs/dbraw/zinc/25/35/22/296253522.db2.gz PNGJBSWAMZXIEJ-UHFFFAOYSA-N -1 3 271.291 3.124 20 0 CGADHM O=C(Nc1c([O-])cccc1Cl)[C@H]1COc2ccccc21 ZINC000560820218 377193523 /nfs/dbraw/zinc/19/35/23/377193523.db2.gz NRJQACCXRNCJEU-JTQLQIEISA-N -1 3 289.718 3.160 20 0 CGADHM CC(C)Oc1cccc([C@@H](C)NCc2ncccc2[O-])c1 ZINC000561951337 377255116 /nfs/dbraw/zinc/25/51/16/377255116.db2.gz OXOAKGKEZBPOCR-CYBMUJFWSA-N -1 3 286.375 3.425 20 0 CGADHM CCc1cc(C(=O)N2C[C@H](C)C[C@H](C)C2)ccc1[O-] ZINC000340910530 377317807 /nfs/dbraw/zinc/31/78/07/377317807.db2.gz DRVOSXKJTOADGV-TXEJJXNPSA-N -1 3 261.365 3.073 20 0 CGADHM C/C=C\c1ccc(NC(=O)c2cccc3nn[n-]c32)cc1 ZINC000562354951 377300461 /nfs/dbraw/zinc/30/04/61/377300461.db2.gz RBNSTLDZALBJEJ-RQOWECAXSA-N -1 3 278.315 3.243 20 0 CGADHM CC=Cc1ccc(NC(=O)c2cccc3[n-]nnc32)cc1 ZINC000562354951 377300472 /nfs/dbraw/zinc/30/04/72/377300472.db2.gz RBNSTLDZALBJEJ-RQOWECAXSA-N -1 3 278.315 3.243 20 0 CGADHM CC=Cc1ccc(NC(=O)c2cccc3n[n-]nc32)cc1 ZINC000562354951 377300479 /nfs/dbraw/zinc/30/04/79/377300479.db2.gz RBNSTLDZALBJEJ-RQOWECAXSA-N -1 3 278.315 3.243 20 0 CGADHM CCc1cc(C(=O)NCc2ccccc2F)ccc1[O-] ZINC000341002288 377352064 /nfs/dbraw/zinc/35/20/64/377352064.db2.gz NMJFEQQEUVCFTD-UHFFFAOYSA-N -1 3 273.307 3.024 20 0 CGADHM CCc1cc(C(=O)Nc2cccc(F)c2)ccc1[O-] ZINC000563269961 377430678 /nfs/dbraw/zinc/43/06/78/377430678.db2.gz ZZVYLBBIEDTKOX-UHFFFAOYSA-N -1 3 259.280 3.346 20 0 CGADHM C[C@@H](NCc1cccc([O-])c1Br)C1CC1 ZINC000315046129 249097494 /nfs/dbraw/zinc/09/74/94/249097494.db2.gz OPPZPFJGFQTPNF-MRVPVSSYSA-N -1 3 270.170 3.043 20 0 CGADHM C[C@@H](c1cc(F)ccc1F)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000515059379 249199934 /nfs/dbraw/zinc/19/99/34/249199934.db2.gz LSXWELQMTAJQOH-NRUUGDAUSA-N -1 3 283.318 3.068 20 0 CGADHM C[C@H]1CCCC[C@@H]1CC(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000516842360 249245252 /nfs/dbraw/zinc/24/52/52/249245252.db2.gz GRCYUAVJYKWVIC-NWDGAFQWSA-N -1 3 299.378 3.022 20 0 CGADHM C[C@H]1CCCC[C@@H]1CC(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000516842360 249245255 /nfs/dbraw/zinc/24/52/55/249245255.db2.gz GRCYUAVJYKWVIC-NWDGAFQWSA-N -1 3 299.378 3.022 20 0 CGADHM C[C@H]1CCCC[C@@H]1CC(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000516842360 249245256 /nfs/dbraw/zinc/24/52/56/249245256.db2.gz GRCYUAVJYKWVIC-NWDGAFQWSA-N -1 3 299.378 3.022 20 0 CGADHM CCCc1ccc(-c2cc(=NC(=O)C3CCC3)[nH][n-]2)cc1 ZINC000515829833 249220711 /nfs/dbraw/zinc/22/07/11/249220711.db2.gz SXNGWMFJRWURTR-UHFFFAOYSA-N -1 3 283.375 3.190 20 0 CGADHM C[C@H]1CC(C)(C)CN1Cc1ccc(C(=O)[O-])c(F)c1 ZINC000518218617 249277478 /nfs/dbraw/zinc/27/74/78/249277478.db2.gz ORBACGQQEUFDKN-JTQLQIEISA-N -1 3 265.328 3.144 20 0 CGADHM Cc1ccccc1-c1nnc(SCc2ncccc2[O-])o1 ZINC000574116493 377621132 /nfs/dbraw/zinc/62/11/32/377621132.db2.gz XUPIPHAYRNFPIG-UHFFFAOYSA-N -1 3 299.355 3.438 20 0 CGADHM CC[C@H]1CCCN(Cc2csc(C(=O)[O-])c2)C1 ZINC000574458351 377666016 /nfs/dbraw/zinc/66/60/16/377666016.db2.gz FNOMEBHPRLLYNU-JTQLQIEISA-N -1 3 253.367 3.068 20 0 CGADHM CCCn1c(=O)[n-]nc1SCCc1cccc(F)c1F ZINC000342571676 377666974 /nfs/dbraw/zinc/66/69/74/377666974.db2.gz RLRHLRAMNGSNCX-UHFFFAOYSA-N -1 3 299.346 3.007 20 0 CGADHM CC[C@@H]1CCCN([C@H](C)c2ccc(C(=O)[O-])o2)C1 ZINC000252560738 377637980 /nfs/dbraw/zinc/63/79/80/377637980.db2.gz VWZVEOORXATZQW-GHMZBOCLSA-N -1 3 251.326 3.161 20 0 CGADHM Cc1ccc(NC(=O)/C=C\c2cncc(C)c2)c([O-])c1 ZINC000255031775 377724657 /nfs/dbraw/zinc/72/46/57/377724657.db2.gz ATNJIERUOHAILW-XQRVVYSFSA-N -1 3 268.316 3.056 20 0 CGADHM O=C(Nc1c([O-])cccc1Cl)[C@H]1CCCCS1 ZINC000575194076 377761553 /nfs/dbraw/zinc/76/15/53/377761553.db2.gz AJXBACRQTWKVGB-SNVBAGLBSA-N -1 3 271.769 3.270 20 0 CGADHM CCCCCN(C)c1ccc(F)cc1CN[C@@H](C)C(=O)[O-] ZINC000262141096 377887864 /nfs/dbraw/zinc/88/78/64/377887864.db2.gz ZCIMJCRQPPAYAK-LBPRGKRZSA-N -1 3 296.386 3.015 20 0 CGADHM C[C@@H](C(=O)[O-])N(Cc1ccc(Cl)cc1Cl)C1CC1 ZINC000262284262 377892284 /nfs/dbraw/zinc/89/22/84/377892284.db2.gz WGFBSKFNYYFEJU-QMMMGPOBSA-N -1 3 288.174 3.431 20 0 CGADHM C[C@@H]1[C@H](C(=O)[O-])CCCN1Cc1cnc(C(C)(C)C)s1 ZINC000263090811 377917555 /nfs/dbraw/zinc/91/75/55/377917555.db2.gz UJSZGFDPPMSSEA-ZYHUDNBSSA-N -1 3 296.436 3.126 20 0 CGADHM COc1ccc(CNC[C@@H](CC(C)C)C(=O)[O-])c(Cl)c1 ZINC000263465435 377939138 /nfs/dbraw/zinc/93/91/38/377939138.db2.gz GCYNBOWAACHHTK-GFCCVEGCSA-N -1 3 299.798 3.185 20 0 CGADHM C[C@@H](CN(C)Cc1ccc(-c2ccccc2)o1)C(=O)[O-] ZINC000263463254 377939718 /nfs/dbraw/zinc/93/97/18/377939718.db2.gz CETUPXAVIGKRBF-LBPRGKRZSA-N -1 3 273.332 3.099 20 0 CGADHM COc1ccc(CNC2CCC(C(=O)[O-])CC2)c(Cl)c1 ZINC000262689287 377907183 /nfs/dbraw/zinc/90/71/83/377907183.db2.gz FPUNTBMSQOOKRV-UHFFFAOYSA-N -1 3 297.782 3.082 20 0 CGADHM C[C@H](CN(C)Cc1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC000578242749 378049613 /nfs/dbraw/zinc/04/96/13/378049613.db2.gz LIITZKHQJFYEQO-SECBINFHSA-N -1 3 275.270 3.015 20 0 CGADHM C[C@@H]1C[C@H](C)N(Cc2cc(C(=O)[O-])ccc2Cl)C1 ZINC000565103319 322060462 /nfs/dbraw/zinc/06/04/62/322060462.db2.gz DZZGDPNLKSWPBM-ZJUUUORDSA-N -1 3 267.756 3.269 20 0 CGADHM Cc1nc(C(C)C)ccc1CN(C[C@H](C)C(=O)[O-])C1CC1 ZINC000577879544 378020806 /nfs/dbraw/zinc/02/08/06/378020806.db2.gz FFIRQQIBFFRNGY-LBPRGKRZSA-N -1 3 290.407 3.199 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])[C@H]1CC2CCC1CC2 ZINC000343889004 378124794 /nfs/dbraw/zinc/12/47/94/378124794.db2.gz PFDJKNWGTQOKRV-CBINBANVSA-N -1 3 263.312 3.296 20 0 CGADHM CC[C@H](NC(=O)c1c[n-]nc1-c1ccccn1)[C@@H]1CC1(C)C ZINC000579209886 378140757 /nfs/dbraw/zinc/14/07/57/378140757.db2.gz LDERZAPIFUFIFK-STQMWFEESA-N -1 3 298.390 3.026 20 0 CGADHM C[C@@H]1CN(Cc2cccc(Cl)c2F)C[C@]1(C)C(=O)[O-] ZINC000565111650 322061413 /nfs/dbraw/zinc/06/14/13/322061413.db2.gz NDCHNZVLCKIYRC-OTYXRUKQSA-N -1 3 285.746 3.022 20 0 CGADHM CC[C@H](c1cccc(OC)c1)N(C)Cc1ncccc1[O-] ZINC000579647244 378179392 /nfs/dbraw/zinc/17/93/92/378179392.db2.gz IKLAPSYVKGWIEK-MRXNPFEDSA-N -1 3 286.375 3.379 20 0 CGADHM CO[C@]1(C)C[C@@H](N(C)Cc2ccc(C(=O)[O-])s2)C1(C)C ZINC000580956254 378271338 /nfs/dbraw/zinc/27/13/38/378271338.db2.gz ZQLDCJKIDZHMDV-IUODEOHRSA-N -1 3 297.420 3.082 20 0 CGADHM CC(C)[C@H](NCc1cc([O-])cc(F)c1)C(F)(F)F ZINC000345440217 378284036 /nfs/dbraw/zinc/28/40/36/378284036.db2.gz PKLYBMKSFLVRLF-NSHDSACASA-N -1 3 265.250 3.208 20 0 CGADHM C[C@@H]1Cc2cc(F)ccc2[C@H](C)N1CC1(CC(=O)[O-])CC1 ZINC000583570261 378332333 /nfs/dbraw/zinc/33/23/33/378332333.db2.gz JLWMOTPUFXWSHM-NEPJUHHUSA-N -1 3 291.366 3.388 20 0 CGADHM CC(C)C[C@@H]1CCCCN1Cc1nc(C(=O)[O-])cs1 ZINC000583817956 378350438 /nfs/dbraw/zinc/35/04/38/378350438.db2.gz IVSWHXVLXUYUGY-NSHDSACASA-N -1 3 282.409 3.242 20 0 CGADHM CCC[C@@]1(C)CCCN(Cc2cc(C(=O)[O-])co2)C1 ZINC000583818179 378350841 /nfs/dbraw/zinc/35/08/41/378350841.db2.gz PTULLWCQIWFWMW-HNNXBMFYSA-N -1 3 265.353 3.380 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2ccccc2OCC2CC2)n1 ZINC000345948084 378417925 /nfs/dbraw/zinc/41/79/25/378417925.db2.gz WMWYVLQHSPVOCX-UHFFFAOYSA-N -1 3 298.342 3.137 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2cc3cccc(C)c3o2)n1 ZINC000345950705 378418373 /nfs/dbraw/zinc/41/83/73/378418373.db2.gz YNMXRBQVOAORIB-UHFFFAOYSA-N -1 3 282.299 3.403 20 0 CGADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@@H]1CC=CCC1 ZINC000345965238 378423366 /nfs/dbraw/zinc/42/33/66/378423366.db2.gz JDHGDTGXTDKHIE-CYBMUJFWSA-N -1 3 277.339 3.079 20 0 CGADHM O=C([N-]CCCC(F)(F)F)C(F)(F)c1ccccc1F ZINC000270993361 378423902 /nfs/dbraw/zinc/42/39/02/378423902.db2.gz OJFIKODATKLFSO-UHFFFAOYSA-N -1 3 299.214 3.376 20 0 CGADHM Cc1ccc([O-])c(NC(=O)c2ccc(Cl)s2)n1 ZINC000345974026 378426728 /nfs/dbraw/zinc/42/67/28/378426728.db2.gz FMKNXLIOPMNJAV-UHFFFAOYSA-N -1 3 268.725 3.063 20 0 CGADHM Cc1ccc([O-])c(NC(=O)Cc2csc3ccccc23)n1 ZINC000345982614 378430032 /nfs/dbraw/zinc/43/00/32/378430032.db2.gz LFLVFCRQMSIFOX-UHFFFAOYSA-N -1 3 298.367 3.492 20 0 CGADHM Cc1cccc2c(CCC(=O)[N-]OC3CCCC3)c[nH]c21 ZINC000271653129 378500758 /nfs/dbraw/zinc/50/07/58/378500758.db2.gz FMCFATYPKRZECV-UHFFFAOYSA-N -1 3 286.375 3.399 20 0 CGADHM O=c1nc(-c2cnsc2)[n-]c2sc3c(c21)CCC3 ZINC000637795313 378586599 /nfs/dbraw/zinc/58/65/99/378586599.db2.gz KPRWDYXSFZFNFH-UHFFFAOYSA-N -1 3 275.358 3.009 20 0 CGADHM CCCCc1nnc(NC(=O)c2ccc([O-])c(C)c2)s1 ZINC000272309678 378608959 /nfs/dbraw/zinc/60/89/59/378608959.db2.gz AFLWIVJARWFLTK-UHFFFAOYSA-N -1 3 291.376 3.147 20 0 CGADHM Cc1cc(C(=O)N2CCC[C@@H]2C2CCC2)ccc1[O-] ZINC000272535910 378659180 /nfs/dbraw/zinc/65/91/80/378659180.db2.gz XJNMORBREKUTAC-CQSZACIVSA-N -1 3 259.349 3.105 20 0 CGADHM COc1cc(C(=O)N(C)[C@@H]2CCCC[C@H]2C)ccc1[O-] ZINC000272625809 378678904 /nfs/dbraw/zinc/67/89/04/378678904.db2.gz SHOBMLIIOZYFFZ-DGCLKSJQSA-N -1 3 277.364 3.052 20 0 CGADHM CSc1c(F)cc(NC(=O)[N-]OCC(C)C)cc1F ZINC000273090415 378735529 /nfs/dbraw/zinc/73/55/29/378735529.db2.gz GVLFBHVPQNXHGS-UHFFFAOYSA-N -1 3 290.335 3.396 20 0 CGADHM CC(C)c1ccc(-c2nc([C@H]3CCCO3)no2)c([O-])c1 ZINC000274109247 378778168 /nfs/dbraw/zinc/77/81/68/378778168.db2.gz ITJHCCVGSZOQHM-CYBMUJFWSA-N -1 3 274.320 3.417 20 0 CGADHM CC[C@H](NCc1cnc(C)[n-]c1=O)c1ccc(F)cc1F ZINC000346800038 218018602 /nfs/dbraw/zinc/01/86/02/218018602.db2.gz QSDFDPSCRQUSMR-AWEZNQCLSA-N -1 3 293.317 3.010 20 0 CGADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1csc2ccccc12 ZINC000274841875 378904572 /nfs/dbraw/zinc/90/45/72/378904572.db2.gz DEEVSUWVNTUVKD-CYBMUJFWSA-N -1 3 292.360 3.481 20 0 CGADHM O=C([N-]O[C@@H]1CCCCO1)Nc1csc2ccccc12 ZINC000274841875 378904576 /nfs/dbraw/zinc/90/45/76/378904576.db2.gz DEEVSUWVNTUVKD-CYBMUJFWSA-N -1 3 292.360 3.481 20 0 CGADHM Cc1coc2ccc(NC(=O)[N-]OCC(C)C)cc12 ZINC000274865168 378909490 /nfs/dbraw/zinc/90/94/90/378909490.db2.gz QUNCCWIWVRVPQV-UHFFFAOYSA-N -1 3 262.309 3.450 20 0 CGADHM C[C@H]1CCCCN(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000347150964 218139402 /nfs/dbraw/zinc/13/94/02/218139402.db2.gz DFNLPRFNGOTYSQ-JTQLQIEISA-N -1 3 267.756 3.308 20 0 CGADHM COc1cc(NC(=O)[N-]OCC(C)C)ccc1Cl ZINC000278603455 194064509 /nfs/dbraw/zinc/06/45/09/194064509.db2.gz ASHZQFGBRBXMDE-UHFFFAOYSA-N -1 3 272.732 3.058 20 0 CGADHM COc1cc(C(=O)N2CCCC(C)(C)CC2)ccc1[O-] ZINC000276930507 379022720 /nfs/dbraw/zinc/02/27/20/379022720.db2.gz OFHQFIHGMIEQFY-UHFFFAOYSA-N -1 3 277.364 3.053 20 0 CGADHM CC(C)C[C@H](CNCc1cc(F)ccc1F)CC(=O)[O-] ZINC000276973532 379034866 /nfs/dbraw/zinc/03/48/66/379034866.db2.gz HJOMRFYCCZPWRA-NSHDSACASA-N -1 3 285.334 3.191 20 0 CGADHM CCc1ccnc(-c2nc(=O)c3c(C)csc3[n-]2)c1 ZINC000348990973 379130328 /nfs/dbraw/zinc/13/03/28/379130328.db2.gz AEHSCXMCLOELRY-UHFFFAOYSA-N -1 3 271.345 3.330 20 0 CGADHM CC(C)N(C(=O)c1cc([O-])ccc1Cl)C1CC1 ZINC000277689817 379218375 /nfs/dbraw/zinc/21/83/75/379218375.db2.gz NQCRORSYXLBJAT-UHFFFAOYSA-N -1 3 253.729 3.059 20 0 CGADHM O=C(c1cc([O-])ccc1C(F)(F)F)N1CC2(C1)CCCC2 ZINC000373588933 379302808 /nfs/dbraw/zinc/30/28/08/379302808.db2.gz QDNLPYKTBINTOG-UHFFFAOYSA-N -1 3 299.292 3.427 20 0 CGADHM CCC[C@@H](CC)S(=O)(=O)[N-]c1cccc2cc[nH]c21 ZINC000569108683 322235030 /nfs/dbraw/zinc/23/50/30/322235030.db2.gz PLKBTWHISDWEBT-GFCCVEGCSA-N -1 3 280.393 3.488 20 0 CGADHM CCCCn1ncc(NCc2cc([O-])cc(F)c2)c1C ZINC000349701184 379351011 /nfs/dbraw/zinc/35/10/11/379351011.db2.gz KGDLADUIMWTECJ-UHFFFAOYSA-N -1 3 277.343 3.448 20 0 CGADHM [O-]c1cc(F)cc(CN2CC[C@H](CC(F)(F)F)C2)c1 ZINC000278382365 379369066 /nfs/dbraw/zinc/36/90/66/379369066.db2.gz LVMVHMZJOURDHL-SECBINFHSA-N -1 3 277.261 3.306 20 0 CGADHM CCCOc1ccccc1NC(=O)c1cc(C(F)F)[n-]n1 ZINC000639478432 379422384 /nfs/dbraw/zinc/42/23/84/379422384.db2.gz LXQDBJGGOSTNMV-UHFFFAOYSA-N -1 3 295.289 3.388 20 0 CGADHM C[C@@H]1CN(Cc2cc(F)ccc2Cl)C[C@@]1(C)C(=O)[O-] ZINC000569818775 322257926 /nfs/dbraw/zinc/25/79/26/322257926.db2.gz UFVWQKWTJPKXDF-YMTOWFKASA-N -1 3 285.746 3.022 20 0 CGADHM CCC[C@](C)(CC)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000279905174 379549233 /nfs/dbraw/zinc/54/92/33/379549233.db2.gz LOEXKULQFZZKHH-HNNXBMFYSA-N -1 3 287.367 3.022 20 0 CGADHM CCC[C@](C)(CC)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000279905174 379549239 /nfs/dbraw/zinc/54/92/39/379549239.db2.gz LOEXKULQFZZKHH-HNNXBMFYSA-N -1 3 287.367 3.022 20 0 CGADHM COC(=O)c1ccc(-c2nc([C@@H]3CCC[C@H](C)C3)no2)[n-]1 ZINC000350505214 379553382 /nfs/dbraw/zinc/55/33/82/379553382.db2.gz ARGHNFKMXAWFFS-VHSXEESVSA-N -1 3 289.335 3.145 20 0 CGADHM Cc1ccc(-c2nc(-c3ccn4cncc4c3)no2)c([O-])c1 ZINC000351076135 379635486 /nfs/dbraw/zinc/63/54/86/379635486.db2.gz KMYZEMCZPJINSC-UHFFFAOYSA-N -1 3 292.298 3.065 20 0 CGADHM CCCCn1nccc1NC(=O)c1cc([O-])ccc1Cl ZINC000353704952 220270992 /nfs/dbraw/zinc/27/09/92/220270992.db2.gz GTAOOBMGWRNHDS-UHFFFAOYSA-N -1 3 293.754 3.295 20 0 CGADHM CC(C)(C)CCS(=O)(=O)[N-]c1ccccc1F ZINC000267164726 190308263 /nfs/dbraw/zinc/30/82/63/190308263.db2.gz SAGXELXERADELZ-UHFFFAOYSA-N -1 3 259.346 3.004 20 0 CGADHM COC(C)(C)CC(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000280327571 379678978 /nfs/dbraw/zinc/67/89/78/379678978.db2.gz SGHVYRGXJMZWND-LLVKDONJSA-N -1 3 277.364 3.048 20 0 CGADHM CSCCON=C([O-])Nc1c(C)cc(C)cc1C ZINC000280498551 379718376 /nfs/dbraw/zinc/71/83/76/379718376.db2.gz KUGYCLWAIFQFDS-UHFFFAOYSA-N -1 3 268.382 3.028 20 0 CGADHM CSCCO[N-]C(=O)Nc1c(C)cc(C)cc1C ZINC000280498551 379718386 /nfs/dbraw/zinc/71/83/86/379718386.db2.gz KUGYCLWAIFQFDS-UHFFFAOYSA-N -1 3 268.382 3.028 20 0 CGADHM Cc1ncc(CC(=O)Nc2ccc(C(C)(C)C)cc2[O-])o1 ZINC000640264914 379765141 /nfs/dbraw/zinc/76/51/41/379765141.db2.gz MXRNKVDXVHMLLV-UHFFFAOYSA-N -1 3 288.347 3.167 20 0 CGADHM C[C@@H](C1CCCCC1)N(C)C(=O)c1cccc([O-])c1 ZINC000282421999 379916733 /nfs/dbraw/zinc/91/67/33/379916733.db2.gz GTYOUUBSNGESHL-LBPRGKRZSA-N -1 3 261.365 3.433 20 0 CGADHM Cc1cccc([O-])c1NC(=O)CCc1nc2ccccc2o1 ZINC000352653947 379894368 /nfs/dbraw/zinc/89/43/68/379894368.db2.gz ZBNRZXDHFHLAHG-UHFFFAOYSA-N -1 3 296.326 3.413 20 0 CGADHM CC[C@H](C)C(=O)N=c1[nH][n-]c(C)c1-c1ccc(Cl)cc1 ZINC000641248645 379981044 /nfs/dbraw/zinc/98/10/44/379981044.db2.gz JAZIZUDVIIMWBJ-VIFPVBQESA-N -1 3 291.782 3.445 20 0 CGADHM Cc1scc(CNCc2cccc(C(=O)[O-])c2)c1C ZINC000399799655 379945408 /nfs/dbraw/zinc/94/54/08/379945408.db2.gz GAOAYBKSXMUHNA-UHFFFAOYSA-N -1 3 275.373 3.353 20 0 CGADHM COc1ncccc1NCc1cc([O-])cc(C(F)(F)F)c1 ZINC000352843435 379998592 /nfs/dbraw/zinc/99/85/92/379998592.db2.gz WLQQKEYEUZYGLE-UHFFFAOYSA-N -1 3 298.264 3.427 20 0 CGADHM CC(C)CON=C([O-])Nc1nc(C2CCC2)cs1 ZINC000283011031 380023450 /nfs/dbraw/zinc/02/34/50/380023450.db2.gz NAYOGBKKBJYYLU-UHFFFAOYSA-N -1 3 269.370 3.120 20 0 CGADHM CC(C)CO[N-]C(=O)Nc1nc(C2CCC2)cs1 ZINC000283011031 380023453 /nfs/dbraw/zinc/02/34/53/380023453.db2.gz NAYOGBKKBJYYLU-UHFFFAOYSA-N -1 3 269.370 3.120 20 0 CGADHM C[C@H]1CC[C@H](N(C)Cc2c(F)ccc([O-])c2F)C1 ZINC000353209611 380169340 /nfs/dbraw/zinc/16/93/40/380169340.db2.gz ZLQIZXLWIZRKFN-UWVGGRQHSA-N -1 3 255.308 3.291 20 0 CGADHM [O-]c1ccc(F)c(CNC2CCC3(CC3)CC2)c1F ZINC000353221092 380173972 /nfs/dbraw/zinc/17/39/72/380173972.db2.gz QRWAAKMLSZDBKY-UHFFFAOYSA-N -1 3 267.319 3.483 20 0 CGADHM CO[C@@H](C(=O)Nc1ccc([O-])c(C(F)(F)F)c1)C(C)C ZINC000353977166 380261851 /nfs/dbraw/zinc/26/18/51/380261851.db2.gz UTBROEBUIWGDHV-LLVKDONJSA-N -1 3 291.269 3.021 20 0 CGADHM O=C([O-])CCCCNCc1ccc(-c2ccccc2F)o1 ZINC000414686662 380372790 /nfs/dbraw/zinc/37/27/90/380372790.db2.gz VOSJZKAXZHLQLZ-UHFFFAOYSA-N -1 3 291.322 3.430 20 0 CGADHM C[C@H](CC(=O)[O-])NCc1ccc(Oc2ccccc2)o1 ZINC000414639315 380349352 /nfs/dbraw/zinc/34/93/52/380349352.db2.gz PTLIRTBNGQUBRU-LLVKDONJSA-N -1 3 275.304 3.025 20 0 CGADHM COc1ccc(F)c(CN[C@H](CCC(C)(C)C)C(=O)[O-])c1 ZINC000414646201 380350372 /nfs/dbraw/zinc/35/03/72/380350372.db2.gz ATWPCNSVWMTQMH-CQSZACIVSA-N -1 3 297.370 3.203 20 0 CGADHM Cc1ccc([O-])c(CNc2ccc3c(c2)CCCN3)n1 ZINC000414849265 380451532 /nfs/dbraw/zinc/45/15/32/380451532.db2.gz LJJHHBHBKIKXFR-UHFFFAOYSA-N -1 3 269.348 3.066 20 0 CGADHM [O-]c1ccc(F)c(CN2CC[C@H](CC3CC3)C2)c1F ZINC000354522999 380469372 /nfs/dbraw/zinc/46/93/72/380469372.db2.gz BHWMWVSADVXLNM-LLVKDONJSA-N -1 3 267.319 3.292 20 0 CGADHM Cc1cc(CN[C@H](CC(=O)[O-])c2ccsc2)cs1 ZINC000417526370 380632263 /nfs/dbraw/zinc/63/22/63/380632263.db2.gz CFJNSOQUQJWJEY-GFCCVEGCSA-N -1 3 281.402 3.424 20 0 CGADHM CCc1cccc(F)c1CNCCCC(C)(C)C(=O)[O-] ZINC000417570590 380642097 /nfs/dbraw/zinc/64/20/97/380642097.db2.gz SFYVIDDEGBLUMU-UHFFFAOYSA-N -1 3 281.371 3.369 20 0 CGADHM CCc1cnc(CN[C@H](CC(=O)[O-])CC(C)(C)C)s1 ZINC000417577131 380643160 /nfs/dbraw/zinc/64/31/60/380643160.db2.gz IPZJJHOTEVKYBT-SNVBAGLBSA-N -1 3 284.425 3.075 20 0 CGADHM C[C@@H](CNCc1ccc(-c2ccccc2Cl)o1)C(=O)[O-] ZINC000417582727 380643813 /nfs/dbraw/zinc/64/38/13/380643813.db2.gz JFIMMBDJVDXRGE-JTQLQIEISA-N -1 3 293.750 3.410 20 0 CGADHM O=C([O-])[C@@H](CC1CCC1)NCc1cccc(Cl)c1F ZINC000417714414 380670669 /nfs/dbraw/zinc/67/06/69/380670669.db2.gz ZSOHMLKXZPPBJU-GFCCVEGCSA-N -1 3 285.746 3.212 20 0 CGADHM C[C@@H]1CN(Cc2cccc([O-])c2Cl)C[C@H](C)S1 ZINC000646065857 380817949 /nfs/dbraw/zinc/81/79/49/380817949.db2.gz CPOOURUCLGVJSH-AOOOYVTPSA-N -1 3 271.813 3.371 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2cc(O)cc(C(F)(F)F)c2)n1 ZINC000357065400 381018221 /nfs/dbraw/zinc/01/82/21/381018221.db2.gz ACLLGZRESKBKLE-NSCUHMNNSA-N -1 3 296.248 3.385 20 0 CGADHM C[C@H](NC(=O)c1cccc([O-])c1)[C@@H]1Oc2ccccc2[C@H]1C ZINC000357302420 381097384 /nfs/dbraw/zinc/09/73/84/381097384.db2.gz JRAJNSPNMLBNAT-BWACUDIHSA-N -1 3 297.354 3.075 20 0 CGADHM CC(C)N(C(=O)Cc1ccc([O-])cc1Cl)C1CCC1 ZINC000357296949 381097831 /nfs/dbraw/zinc/09/78/31/381097831.db2.gz XBENTKKMPVDBKL-UHFFFAOYSA-N -1 3 281.783 3.378 20 0 CGADHM CCc1csc(NC(=O)Cc2ccc([O-])cc2Cl)n1 ZINC000357429110 381155343 /nfs/dbraw/zinc/15/53/43/381155343.db2.gz IWYQVNFKDYOQIV-UHFFFAOYSA-N -1 3 296.779 3.246 20 0 CGADHM CCn1c2cc(F)ccc2nc1NC(=O)c1cccc([O-])c1 ZINC000357501878 381184458 /nfs/dbraw/zinc/18/44/58/381184458.db2.gz QQIYIGJIXIANLR-UHFFFAOYSA-N -1 3 299.305 3.153 20 0 CGADHM CCc1nc(C(=O)Nc2cc(Cl)cc(C)c2[O-])co1 ZINC000357672634 381244210 /nfs/dbraw/zinc/24/42/10/381244210.db2.gz JAAYOUYOSQWTOG-UHFFFAOYSA-N -1 3 280.711 3.157 20 0 CGADHM C/C=C/c1ccc(NC(=O)c2csc(=NCC)[n-]2)cc1 ZINC000360319826 381514917 /nfs/dbraw/zinc/51/49/17/381514917.db2.gz QNQPAQQMJAXBNY-HWKANZROSA-N -1 3 287.388 3.282 20 0 CGADHM CO[C@H](C)CCC(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000360633843 381601449 /nfs/dbraw/zinc/60/14/49/381601449.db2.gz FUTCUJXQWHDSHI-MRVPVSSYSA-N -1 3 291.269 3.165 20 0 CGADHM CO[C@@H]1CCN(C(=O)c2ccc(C(C)C)cc2[O-])C[C@@H]1C ZINC000334912235 207280750 /nfs/dbraw/zinc/28/07/50/207280750.db2.gz UZTXCXXTZADYBY-BLLLJJGKSA-N -1 3 291.391 3.013 20 0 CGADHM CCc1cc(C(=O)N2CCC[C@H](C)[C@@H]2C)ccc1[O-] ZINC000362824858 382127663 /nfs/dbraw/zinc/12/76/63/382127663.db2.gz FQRLIBBEKKSWMK-RYUDHWBXSA-N -1 3 261.365 3.215 20 0 CGADHM CCn1c(=O)[n-]nc1SCc1cc2ccccc2o1 ZINC000362894280 382140537 /nfs/dbraw/zinc/14/05/37/382140537.db2.gz PJHKHVVMVNXOSQ-UHFFFAOYSA-N -1 3 275.333 3.042 20 0 CGADHM Cc1ccc(CN2CCC(C)(C(=O)[O-])CC2)c(Cl)c1 ZINC000235869475 542313673 /nfs/dbraw/zinc/31/36/73/542313673.db2.gz UMIFTFLWTYOMSR-UHFFFAOYSA-N -1 3 281.783 3.335 20 0 CGADHM O=C([O-])c1ccc(CN[C@H]2CCCc3occc32)cc1 ZINC000087846478 304244223 /nfs/dbraw/zinc/24/42/23/304244223.db2.gz KIJPXNYVZYNPIQ-AWEZNQCLSA-N -1 3 271.316 3.145 20 0 CGADHM CN(C(=O)c1cc([O-])c2ccccc2c1)C1CCC1 ZINC000280528990 542381998 /nfs/dbraw/zinc/38/19/98/542381998.db2.gz YKAJLNRJNYPKHN-UHFFFAOYSA-N -1 3 255.317 3.170 20 0 CGADHM CC(C(=O)Nc1cc(F)cc(Cl)c1[O-])C(F)(F)F ZINC000353888469 220389727 /nfs/dbraw/zinc/38/97/27/220389727.db2.gz LAOFQYIUJYMDGY-BYPYZUCNSA-N -1 3 285.624 3.322 20 0 CGADHM O=c1[n-]c(-c2ccccn2)nc2cc(Cl)c(Cl)cc21 ZINC000362330999 285225908 /nfs/dbraw/zinc/22/59/08/285225908.db2.gz XHOWBBOIINIVKQ-UHFFFAOYSA-N -1 3 292.125 3.292 20 0 CGADHM O=C([O-])CC[C@@H]1CCCN(Cc2cnc3ccccc3c2)C1 ZINC000318140331 542438523 /nfs/dbraw/zinc/43/85/23/542438523.db2.gz UQRHSHIYXJIXSA-AWEZNQCLSA-N -1 3 298.386 3.312 20 0 CGADHM CCC1CN(C(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000335077020 542464534 /nfs/dbraw/zinc/46/45/34/542464534.db2.gz TVEGUUUDOROWNE-UHFFFAOYSA-N -1 3 255.317 3.027 20 0 CGADHM C[C@@H]1C[C@@H](c2ccccc2)N(C(=O)c2csc(=O)[n-]2)C1 ZINC000336536725 542477804 /nfs/dbraw/zinc/47/78/04/542477804.db2.gz PGJBUMKMDZBHDA-MFKMUULPSA-N -1 3 288.372 3.072 20 0 CGADHM COc1ccc(CN2CCC[C@@H](C)[C@@H]2C(=O)[O-])c(Cl)c1 ZINC000424273463 533556891 /nfs/dbraw/zinc/55/68/91/533556891.db2.gz SYTRQFNRMFYJMX-QMTHXVAHSA-N -1 3 297.782 3.034 20 0 CGADHM CC[C@@H]1CCc2nc([N-]C(=O)c3cc(C)no3)sc2C1 ZINC000046784875 391988911 /nfs/dbraw/zinc/98/89/11/391988911.db2.gz OCLKFHWFFCOARG-SECBINFHSA-N -1 3 291.376 3.207 20 0 CGADHM O=C(NCCCCOCc1ccccc1)c1ccccc1[O-] ZINC000050423625 392065142 /nfs/dbraw/zinc/06/51/42/392065142.db2.gz FPEQMOCSUHXWLC-UHFFFAOYSA-N -1 3 299.370 3.119 20 0 CGADHM Cc1cccc(CC(=O)N2CCCc3cccc([O-])c32)c1 ZINC000063063961 392135266 /nfs/dbraw/zinc/13/52/66/392135266.db2.gz AOAFOBBNSUNAGW-UHFFFAOYSA-N -1 3 281.355 3.223 20 0 CGADHM Cc1ccc(C)c(N(C)Cc2nc(C)ccc2[O-])c1 ZINC000437949975 533671873 /nfs/dbraw/zinc/67/18/73/533671873.db2.gz FKTPWXMZJCFFTP-UHFFFAOYSA-N -1 3 256.349 3.349 20 0 CGADHM CSCC(C)(C)C(=O)Nc1ccc(C)cc1[O-] ZINC000282038556 392274926 /nfs/dbraw/zinc/27/49/26/392274926.db2.gz LIPIRTWTBCEQTF-UHFFFAOYSA-N -1 3 253.367 3.028 20 0 CGADHM CCCC(O)(CCC)CC(=O)Nc1ccc(OC)cc1[O-] ZINC000443563595 542667047 /nfs/dbraw/zinc/66/70/47/542667047.db2.gz YXOGNDPGFFFFQE-UHFFFAOYSA-N -1 3 295.379 3.061 20 0 CGADHM O=C([O-])CCCN(Cc1ccccc1Cl)CC1CC1 ZINC000263233977 131286734 /nfs/dbraw/zinc/28/67/34/131286734.db2.gz IWQJGXVNQDGYNO-UHFFFAOYSA-N -1 3 281.783 3.417 20 0 CGADHM O=C(NCCC[C@@H]1CCOC1)c1cc([O-])c2ccccc2c1 ZINC000456769178 542689250 /nfs/dbraw/zinc/68/92/50/542689250.db2.gz ONJLJFZGEQMPJK-CYBMUJFWSA-N -1 3 299.370 3.092 20 0 CGADHM COc1ccc2[nH]c(C(=O)Nc3ccccc3[O-])cc2c1 ZINC000170217638 392612816 /nfs/dbraw/zinc/61/28/16/392612816.db2.gz KRYMJRLNOSWIFX-UHFFFAOYSA-N -1 3 282.299 3.134 20 0 CGADHM CCc1ccc([O-])c(C(=O)N2CCCC[C@@H]2C(F)F)c1 ZINC000505452671 392667011 /nfs/dbraw/zinc/66/70/11/392667011.db2.gz DIBUNKOYFZEZKA-GFCCVEGCSA-N -1 3 283.318 3.214 20 0 CGADHM C[C@@H](CC(F)(F)F)C(=O)Nc1cc(F)ccc1[O-] ZINC000457678451 392729751 /nfs/dbraw/zinc/72/97/51/392729751.db2.gz ULNYVDMKXLCWCB-LURJTMIESA-N -1 3 265.206 3.058 20 0 CGADHM CCCc1ccccc1NC(=O)/C=C/c1cncc([O-])c1 ZINC000181876664 392737281 /nfs/dbraw/zinc/73/72/81/392737281.db2.gz GSCKCDRHVJZAKQ-CMDGGOBGSA-N -1 3 282.343 3.392 20 0 CGADHM O=C(Nc1cccc([O-])c1F)c1noc2c1CCCCC2 ZINC000334581984 392740909 /nfs/dbraw/zinc/74/09/09/392740909.db2.gz LUFBNOZNADGUEB-UHFFFAOYSA-N -1 3 290.294 3.041 20 0 CGADHM Cc1ccc(OCCNCc2c(F)ccc([O-])c2F)cc1 ZINC000509710667 392768485 /nfs/dbraw/zinc/76/84/85/392768485.db2.gz IJXQECPYDJCCQK-UHFFFAOYSA-N -1 3 293.313 3.147 20 0 CGADHM C[C@H](NC(=O)c1cccc([O-])c1)[C@@H](C)c1ccccc1 ZINC000182547698 392746400 /nfs/dbraw/zinc/74/64/00/392746400.db2.gz YEAGKVSUUUZHQB-OLZOCXBDSA-N -1 3 269.344 3.314 20 0 CGADHM O=C(/C=C/c1cncc([O-])c1)Nc1ccc(Cl)cc1 ZINC000179381844 392700242 /nfs/dbraw/zinc/70/02/42/392700242.db2.gz LFLONAHHIIJFHH-LZCJLJQNSA-N -1 3 274.707 3.093 20 0 CGADHM Cc1ccccc1C1(NCc2cccc(C(=O)[O-])c2)CC1 ZINC000647368644 392710024 /nfs/dbraw/zinc/71/00/24/392710024.db2.gz AOKQUYLEYJOMPX-UHFFFAOYSA-N -1 3 281.355 3.472 20 0 CGADHM CC(C)OCCC(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000506242182 392717888 /nfs/dbraw/zinc/71/78/88/392717888.db2.gz ADSMIQOLYBXIPD-UHFFFAOYSA-N -1 3 279.380 3.443 20 0 CGADHM CCCOc1ncccc1CNCc1cc([O-])cc(F)c1 ZINC000185491448 392772072 /nfs/dbraw/zinc/77/20/72/392772072.db2.gz CTGMVGFFAHCWTL-UHFFFAOYSA-N -1 3 290.338 3.005 20 0 CGADHM C[C@@H]1CCCC[C@H]1OCCNCc1c(F)ccc([O-])c1F ZINC000509917064 392776594 /nfs/dbraw/zinc/77/65/94/392776594.db2.gz YANVHDWHBXMYNA-IAQYHMDHSA-N -1 3 299.361 3.355 20 0 CGADHM Cc1cc(F)c(CN[C@@H]2CCC[C@H](C(=O)[O-])C2)c(F)c1 ZINC000647649074 392777712 /nfs/dbraw/zinc/77/77/12/392777712.db2.gz PNNNEOGRDIIGSY-WDEREUQCSA-N -1 3 283.318 3.006 20 0 CGADHM CC1(C)CCC(C)(CNC(=O)c2csc(=O)[n-]2)CC1 ZINC000519749827 392890689 /nfs/dbraw/zinc/89/06/89/392890689.db2.gz GDEUDGCHZQYRNL-UHFFFAOYSA-N -1 3 282.409 3.185 20 0 CGADHM Cc1ccc2nccc(N3CCC[C@@H](CC(=O)[O-])C3)c2c1 ZINC000517897466 392869447 /nfs/dbraw/zinc/86/94/47/392869447.db2.gz QWOLIZUDWXJWIM-ZDUSSCGKSA-N -1 3 284.359 3.234 20 0 CGADHM C[C@@H]1C[C@H](C)N1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000548098686 393174991 /nfs/dbraw/zinc/17/49/91/393174991.db2.gz XCNRPTWBAJLVSR-AOOOYVTPSA-N -1 3 283.331 3.064 20 0 CGADHM CCc1cc(=O)[n-]c(CN(C)CCC2CCCCC2)n1 ZINC000468273427 393134177 /nfs/dbraw/zinc/13/41/77/393134177.db2.gz XJWPCXITQAZMMK-UHFFFAOYSA-N -1 3 277.412 3.147 20 0 CGADHM CCCCCNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000468575075 393154710 /nfs/dbraw/zinc/15/47/10/393154710.db2.gz LMFNTWGMQVSNLZ-UHFFFAOYSA-N -1 3 267.344 3.160 20 0 CGADHM C[C@@H]1C[C@@H](C)N(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000469379072 393188594 /nfs/dbraw/zinc/18/85/94/393188594.db2.gz MOWTYIWGXVLTKU-VXGBXAGGSA-N -1 3 279.355 3.111 20 0 CGADHM C[C@@H]1CCN(C(=O)c2ccc(F)nc2)c2c([O-])cccc21 ZINC000274427535 393285548 /nfs/dbraw/zinc/28/55/48/393285548.db2.gz ZTQDYKQLUMKTPQ-SNVBAGLBSA-N -1 3 286.306 3.080 20 0 CGADHM CC1=CCC[C@@H](C)[C@@H]1CNCc1cc(C(=O)[O-])co1 ZINC000276931692 393303202 /nfs/dbraw/zinc/30/32/02/393303202.db2.gz BQYWTTPNLXEBFQ-BXUZGUMPSA-N -1 3 263.337 3.060 20 0 CGADHM Cc1ccc(F)c([N-]C(=O)c2ncoc2C(F)(F)F)c1 ZINC000646625380 393309734 /nfs/dbraw/zinc/30/97/34/393309734.db2.gz ZTQMZIYPUDGHIE-UHFFFAOYSA-N -1 3 288.200 3.393 20 0 CGADHM CC(C)N(Cc1ccccc1F)C(=O)c1csc(=O)[n-]1 ZINC000471948852 393323271 /nfs/dbraw/zinc/32/32/71/393323271.db2.gz NXPLFYKAOQDOPS-UHFFFAOYSA-N -1 3 294.351 3.039 20 0 CGADHM O=C(N[C@@H]1CC[C@H]2C[C@H]2C1)c1cc([O-])ccc1C(F)(F)F ZINC000649167965 393366130 /nfs/dbraw/zinc/36/61/30/393366130.db2.gz ZFUFFSFIFYDQQZ-LPEHRKFASA-N -1 3 299.292 3.329 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@H]1CCC[C@@H](C)C1 ZINC000649231474 393379697 /nfs/dbraw/zinc/37/96/97/393379697.db2.gz XDNLRYGOJANCQQ-PWSUYJOCSA-N -1 3 263.385 3.028 20 0 CGADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)C(C)(C)c1ccccc1 ZINC000649233496 393380519 /nfs/dbraw/zinc/38/05/19/393380519.db2.gz QKIBCUYBVYLLDY-UHFFFAOYSA-N -1 3 285.391 3.180 20 0 CGADHM Cc1cc(C)c2[n-]cc(C(=O)N(C)[C@@H]3CC3(C)C)c(=O)c2c1 ZINC000429566634 393482475 /nfs/dbraw/zinc/48/24/75/393482475.db2.gz DJFUBQNBPZATHT-CQSZACIVSA-N -1 3 298.386 3.015 20 0 CGADHM O=C([O-])[C@@H](NCc1cccc2c1CCC2)c1ccc(F)cc1 ZINC000649505319 393460209 /nfs/dbraw/zinc/46/02/09/393460209.db2.gz DYSVONPRPPBOIC-KRWDZBQOSA-N -1 3 299.345 3.230 20 0 CGADHM O=C(Cc1ccc([O-])cc1Cl)N[C@@H]1CC12CCCC2 ZINC000430245526 393548018 /nfs/dbraw/zinc/54/80/18/393548018.db2.gz SZNNMCNNHZRAJE-CYBMUJFWSA-N -1 3 279.767 3.037 20 0 CGADHM O=C(Nc1ccc([O-])cc1F)C(=O)c1ccc(Cl)s1 ZINC000430279936 393556600 /nfs/dbraw/zinc/55/66/00/393556600.db2.gz NVWZYHBCEPSVBF-UHFFFAOYSA-N -1 3 299.710 3.068 20 0 CGADHM Cc1cc(F)c(C(=O)[N-]c2nnc(C3CC3)s2)c(F)c1 ZINC000666726982 542810459 /nfs/dbraw/zinc/81/04/59/542810459.db2.gz QPMCUAPWYJTQMS-UHFFFAOYSA-N -1 3 295.314 3.254 20 0 CGADHM CCCCn1c(=O)[n-]nc1SCCc1ccccc1F ZINC000432726840 393629666 /nfs/dbraw/zinc/62/96/66/393629666.db2.gz TYVPVBRGKCHZQH-UHFFFAOYSA-N -1 3 295.383 3.258 20 0 CGADHM Cc1ccccc1[C@H](C)N(C)C(=O)/C=C/c1cncc([O-])c1 ZINC000492474504 393740622 /nfs/dbraw/zinc/74/06/22/393740622.db2.gz OJPWWOFXEOSHMN-VFNNOXKTSA-N -1 3 296.370 3.328 20 0 CGADHM Cc1ccc(NC(=O)/C=C\c2ncccc2C)c([O-])c1 ZINC000492582132 393757666 /nfs/dbraw/zinc/75/76/66/393757666.db2.gz OSLUGXRGIQBJMV-FPLPWBNLSA-N -1 3 268.316 3.056 20 0 CGADHM O=C(/C=C\c1ccccc1OC(F)F)[N-]OC1CCCC1 ZINC000492320650 393719684 /nfs/dbraw/zinc/71/96/84/393719684.db2.gz IRYHDFAHXXQIAJ-KTKRTIGZSA-N -1 3 297.301 3.292 20 0 CGADHM COc1ccc(/C=C/C(=O)Nc2c(C)cccc2[O-])cc1 ZINC000492395066 393727591 /nfs/dbraw/zinc/72/75/91/393727591.db2.gz GXXIDQDNNBSQQO-DHZHZOJOSA-N -1 3 283.327 3.361 20 0 CGADHM CCCc1nnc([N-]C(=O)c2ccsc2Cl)s1 ZINC000666969598 542830608 /nfs/dbraw/zinc/83/06/08/542830608.db2.gz WOXWEJAYWRSGSL-UHFFFAOYSA-N -1 3 287.797 3.458 20 0 CGADHM CCc1ccc(C(=O)NC[C@H]2CCCC2(F)F)c([O-])c1 ZINC000452819215 394125150 /nfs/dbraw/zinc/12/51/50/394125150.db2.gz TYDSNZOLHBXVJC-LLVKDONJSA-N -1 3 283.318 3.120 20 0 CGADHM Cc1ccc(C(=O)N2C[C@@H](C)Oc3ccccc32)c([O-])c1 ZINC000436538622 292066808 /nfs/dbraw/zinc/06/68/08/292066808.db2.gz KJXXBJMHZDVNBW-GFCCVEGCSA-N -1 3 283.327 3.128 20 0 CGADHM Cc1ccc(C(=O)N2Cc3ccccc3OC[C@H]2C)c([O-])c1 ZINC000436738602 292070352 /nfs/dbraw/zinc/07/03/52/292070352.db2.gz TXVOEWIUIDJTME-CYBMUJFWSA-N -1 3 297.354 3.124 20 0 CGADHM CCC[C@H](C)C[C@@H](NCc1cccc(OC)c1F)C(=O)[O-] ZINC000669472315 543107898 /nfs/dbraw/zinc/10/78/98/543107898.db2.gz XHPLSGJOCTWMAY-WCQYABFASA-N -1 3 297.370 3.203 20 0 CGADHM CCC[C@H](C)C[C@H](NCc1cccc(OC)c1F)C(=O)[O-] ZINC000669472313 543108255 /nfs/dbraw/zinc/10/82/55/543108255.db2.gz XHPLSGJOCTWMAY-AAEUAGOBSA-N -1 3 297.370 3.203 20 0 CGADHM COc1ccc(NC(=O)c2csc(C)c2)c([O-])c1 ZINC000671812320 543191675 /nfs/dbraw/zinc/19/16/75/543191675.db2.gz SXRRQTUTHIIFJE-UHFFFAOYSA-N -1 3 263.318 3.023 20 0 CGADHM Cc1nc(C(=O)[N-]c2csc(-c3ccccc3)n2)co1 ZINC000672334970 543209462 /nfs/dbraw/zinc/20/94/62/543209462.db2.gz LALNKKPWZJBHHL-UHFFFAOYSA-N -1 3 285.328 3.359 20 0 CGADHM Cc1cc(C(=O)[N-]c2csc(-c3ccccc3)n2)no1 ZINC000672331846 543209481 /nfs/dbraw/zinc/20/94/81/543209481.db2.gz WHWOIWZDVHXISZ-UHFFFAOYSA-N -1 3 285.328 3.359 20 0 CGADHM CCC[C@](C)(N)C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000232399156 397668245 /nfs/dbraw/zinc/66/82/45/397668245.db2.gz QSOQGSOUPGRTLA-LBPRGKRZSA-N -1 3 291.178 3.155 20 0 CGADHM Cc1cccc(CC2CN(C(=O)c3ccccc3[O-])C2)c1 ZINC000674746534 543295120 /nfs/dbraw/zinc/29/51/20/543295120.db2.gz TYLCPCMRAKSDKL-UHFFFAOYSA-N -1 3 281.355 3.015 20 0 CGADHM Cc1cccc(CC2CN(C(=O)c3cccc(C)c3[O-])C2)c1 ZINC000674746454 543295362 /nfs/dbraw/zinc/29/53/62/543295362.db2.gz OBTFAVBFYSFRDC-UHFFFAOYSA-N -1 3 295.382 3.324 20 0 CGADHM Cc1nc(C(=O)[N-]c2c(F)cccc2Br)co1 ZINC000675003149 543310073 /nfs/dbraw/zinc/31/00/73/543310073.db2.gz SXVYBPOFWCBXGQ-UHFFFAOYSA-N -1 3 299.099 3.137 20 0 CGADHM Cc1conc1[N-]C(=O)c1oc2c(cccc2F)c1C ZINC000676458250 543397831 /nfs/dbraw/zinc/39/78/31/543397831.db2.gz JHYHOBUGBUOJCJ-UHFFFAOYSA-N -1 3 274.251 3.429 20 0 CGADHM CC(C)[C@@H](C)CNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735701015 572738065 /nfs/dbraw/zinc/73/80/65/572738065.db2.gz JFYDCUCUDHXGIG-VIFPVBQESA-N -1 3 279.775 3.224 20 0 CGADHM CC(C)[C@@H](C)CNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735701015 572738070 /nfs/dbraw/zinc/73/80/70/572738070.db2.gz JFYDCUCUDHXGIG-VIFPVBQESA-N -1 3 279.775 3.224 20 0 CGADHM CC(C)c1cc(C(=O)N[C@@H](C)CCO)c([O-])c(C(C)C)c1 ZINC000676540806 543404742 /nfs/dbraw/zinc/40/47/42/543404742.db2.gz XEBVTYBLXCHZSY-LBPRGKRZSA-N -1 3 293.407 3.140 20 0 CGADHM CC(C)c1ccc(C(=O)N2CCc3ncccc3C2)c([O-])c1 ZINC000676830563 543420672 /nfs/dbraw/zinc/42/06/72/543420672.db2.gz JLTOEPGJMLDQRY-UHFFFAOYSA-N -1 3 296.370 3.109 20 0 CGADHM CCc1cccc(C(=O)Nc2cc3n[nH]cc3cc2C)c1[O-] ZINC000678309278 543513538 /nfs/dbraw/zinc/51/35/38/543513538.db2.gz YWABZJBJFQVABE-UHFFFAOYSA-N -1 3 295.342 3.392 20 0 CGADHM CCc1cccc(C(=O)Nc2cnccc2SC)c1[O-] ZINC000678315762 543514474 /nfs/dbraw/zinc/51/44/74/543514474.db2.gz MKTICBBTJMIKFB-UHFFFAOYSA-N -1 3 288.372 3.324 20 0 CGADHM O=C(Nc1ccc(C2CC2)cc1)c1ccc2n[n-]nc2c1 ZINC000678572551 543536768 /nfs/dbraw/zinc/53/67/68/543536768.db2.gz DVTPFSJTGAMACM-UHFFFAOYSA-N -1 3 278.315 3.088 20 0 CGADHM COc1ccc(C(=O)N[C@H](C)C2CCCCC2)c([O-])c1 ZINC000052343685 286936501 /nfs/dbraw/zinc/93/65/01/286936501.db2.gz YMEVGOPRUAMDQR-LLVKDONJSA-N -1 3 277.364 3.099 20 0 CGADHM CCC1(C)CCN(C(=O)c2cc(C)ccc2[O-])CC1 ZINC000060942517 286956464 /nfs/dbraw/zinc/95/64/64/286956464.db2.gz WTKJZLYINIXETB-UHFFFAOYSA-N -1 3 261.365 3.353 20 0 CGADHM Cc1ccsc1CNC(=O)c1cccc(C)c1[O-] ZINC000078306201 287046741 /nfs/dbraw/zinc/04/67/41/287046741.db2.gz OPJIZGOPBRNMMO-UHFFFAOYSA-N -1 3 261.346 3.001 20 0 CGADHM Cc1cncc(NC(=O)c2c[n-]nc2-c2ccccc2)c1 ZINC000079945804 287061636 /nfs/dbraw/zinc/06/16/36/287061636.db2.gz JOAQPXWIJQYJBJ-UHFFFAOYSA-N -1 3 278.315 3.032 20 0 CGADHM O=C(Nc1cc(Cc2ccccc2)ccc1[O-])c1ccon1 ZINC000081459863 287073239 /nfs/dbraw/zinc/07/32/39/287073239.db2.gz SRFSUEIQKMDBLC-UHFFFAOYSA-N -1 3 294.310 3.223 20 0 CGADHM O=C(Nc1ccccc1[O-])c1occc1Br ZINC000081711369 287076025 /nfs/dbraw/zinc/07/60/25/287076025.db2.gz RCUUXTQMBDNNTM-UHFFFAOYSA-N -1 3 282.093 3.000 20 0 CGADHM CCSc1cccc(NC(=O)c2ccc3n[n-]nc3c2)c1 ZINC000072876063 165075995 /nfs/dbraw/zinc/07/59/95/165075995.db2.gz ARRQSRJXANJTDL-UHFFFAOYSA-N -1 3 298.371 3.322 20 0 CGADHM CC[C@@H]1CCCN(C(=O)c2ccc(OC)cc2[O-])CC1 ZINC000079053660 165142688 /nfs/dbraw/zinc/14/26/88/165142688.db2.gz UAPHUUIPCYNEAP-GFCCVEGCSA-N -1 3 277.364 3.053 20 0 CGADHM Cc1ccc(CC(=O)Nc2ccc([O-])cc2F)cc1 ZINC000085203850 165178345 /nfs/dbraw/zinc/17/83/45/165178345.db2.gz FVQLMWOKYSICMN-UHFFFAOYSA-N -1 3 259.280 3.021 20 0 CGADHM COc1ccc(F)cc1CN[C@H](C)CCC[C@@H](C)C(=O)[O-] ZINC000087678201 165189162 /nfs/dbraw/zinc/18/91/62/165189162.db2.gz RGBUQNXLIOGKKH-VXGBXAGGSA-N -1 3 297.370 3.203 20 0 CGADHM CCc1nc2cc(NCc3nc(C)ccc3[O-])ccc2o1 ZINC000091994817 165278049 /nfs/dbraw/zinc/27/80/49/165278049.db2.gz XVHNLKQQBKCGLX-UHFFFAOYSA-N -1 3 283.331 3.411 20 0 CGADHM COc1c(C)ccc(NCc2nc(C)ccc2[O-])c1C ZINC000091994200 165279425 /nfs/dbraw/zinc/27/94/25/165279425.db2.gz RMVCCSRDQAVOMO-UHFFFAOYSA-N -1 3 272.348 3.333 20 0 CGADHM COc1cccc(-c2nc(-c3cccc(C)c3)no2)c1[O-] ZINC000111687159 287135913 /nfs/dbraw/zinc/13/59/13/287135913.db2.gz GIKVEEKASTWJBP-UHFFFAOYSA-N -1 3 282.299 3.426 20 0 CGADHM Cc1ccc([O-])c(-c2nc(-c3ncccc3C)no2)c1 ZINC000111689356 287136551 /nfs/dbraw/zinc/13/65/51/287136551.db2.gz YUNGIHQUKFYRQL-UHFFFAOYSA-N -1 3 267.288 3.121 20 0 CGADHM Cc1ccc([O-])c(C(=O)N(C)[C@H]2CCc3ccccc3C2)c1 ZINC000114279824 287150156 /nfs/dbraw/zinc/15/01/56/287150156.db2.gz IJPGGCLNNXUCIN-INIZCTEOSA-N -1 3 295.382 3.330 20 0 CGADHM CC(C)[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000007212456 170272040 /nfs/dbraw/zinc/27/20/40/170272040.db2.gz YJXRIIBUGMIMGF-MRVPVSSYSA-N -1 3 296.219 3.316 20 0 CGADHM O=S(=O)(Cc1ccccc1)[N-]c1cc(Cl)ccc1F ZINC000007422748 170283615 /nfs/dbraw/zinc/28/36/15/170283615.db2.gz NEPCKWTYEIIJRZ-UHFFFAOYSA-N -1 3 299.754 3.421 20 0 CGADHM Cc1ccc(NC(=O)c2cc3ccccc3[nH]2)c([O-])c1 ZINC000008241694 170326831 /nfs/dbraw/zinc/32/68/31/170326831.db2.gz WTTCEDZQRDJBQQ-UHFFFAOYSA-N -1 3 266.300 3.434 20 0 CGADHM [O-]c1ccc(Br)c(CNc2cccnc2)c1 ZINC000124809641 287237254 /nfs/dbraw/zinc/23/72/54/287237254.db2.gz VGKQCIFXFSMFCB-UHFFFAOYSA-N -1 3 279.137 3.162 20 0 CGADHM Cc1ccc(NC(=O)c2cc[nH]c2C2CC2)c([O-])c1 ZINC000284451827 196058878 /nfs/dbraw/zinc/05/88/78/196058878.db2.gz VHYKQDFVZNGZKZ-UHFFFAOYSA-N -1 3 256.305 3.158 20 0 CGADHM CC(C)(C)[C@H]1CCCC[C@@H]1[N-]C(=O)C(F)(F)F ZINC000020466289 171209227 /nfs/dbraw/zinc/20/92/27/171209227.db2.gz KRDZLMYVWWRNHU-IUCAKERBSA-N -1 3 251.292 3.270 20 0 CGADHM Cc1ccc(C(=O)Nc2ccc3c(c2)CCC3)c([O-])c1 ZINC000020549940 171246831 /nfs/dbraw/zinc/24/68/31/171246831.db2.gz NWDVHPPZRPXAPO-UHFFFAOYSA-N -1 3 267.328 3.442 20 0 CGADHM CCCOc1cccc(CNCc2ccc(C(=O)[O-])cc2)c1 ZINC000020924947 171280152 /nfs/dbraw/zinc/28/01/52/171280152.db2.gz QGDKLKCWLFVZPP-UHFFFAOYSA-N -1 3 299.370 3.463 20 0 CGADHM COc1ccccc1-c1noc(-c2ccccc2[O-])n1 ZINC000022119994 171353481 /nfs/dbraw/zinc/35/34/81/171353481.db2.gz XQJARJPIMCCTQJ-UHFFFAOYSA-N -1 3 268.272 3.118 20 0 CGADHM O=C(c1ccccc1[O-])N1CCC[C@@H]2CCCC[C@@H]21 ZINC000035219398 172059815 /nfs/dbraw/zinc/05/98/15/172059815.db2.gz QHSQBVFFRFGORM-JSGCOSHPSA-N -1 3 259.349 3.187 20 0 CGADHM CCOC1(C(=O)Nc2cc(Cl)ccc2[O-])CCCC1 ZINC000285682489 196365160 /nfs/dbraw/zinc/36/51/60/196365160.db2.gz GDNIJEKHEQKOSM-UHFFFAOYSA-N -1 3 283.755 3.333 20 0 CGADHM O=C([N-]c1c(F)cccc1F)c1noc2c1CCCC2 ZINC000127614545 287292214 /nfs/dbraw/zinc/29/22/14/287292214.db2.gz BUAQSWSYMNFPPU-UHFFFAOYSA-N -1 3 278.258 3.084 20 0 CGADHM Cc1cc(C(=O)Nc2cccc([O-])c2F)nn1C(C)(C)C ZINC000128197707 287305608 /nfs/dbraw/zinc/30/56/08/287305608.db2.gz AXSOYGPASQSDBD-UHFFFAOYSA-N -1 3 291.326 3.044 20 0 CGADHM C[C@H](c1ccccc1Cl)N(C)CCCC(=O)[O-] ZINC000062015190 175660742 /nfs/dbraw/zinc/66/07/42/175660742.db2.gz UHZRBFFEHNSQIK-SNVBAGLBSA-N -1 3 255.745 3.198 20 0 CGADHM O=C(Nc1cccc([O-])c1F)C1(c2ccccc2)CC1 ZINC000128524104 287312787 /nfs/dbraw/zinc/31/27/87/287312787.db2.gz UNFYBJAMSVFIHK-UHFFFAOYSA-N -1 3 271.291 3.202 20 0 CGADHM Cn1cc(CC(=O)Nc2cccc([O-])c2F)c2ccccc21 ZINC000128812239 287318829 /nfs/dbraw/zinc/31/88/29/287318829.db2.gz OEMTZZOBYBENHL-UHFFFAOYSA-N -1 3 298.317 3.204 20 0 CGADHM CC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(C)ccc1F ZINC000048465165 416451587 /nfs/dbraw/zinc/45/15/87/416451587.db2.gz VPJYUYGZZDOHIR-OCCSQVGLSA-N -1 3 299.411 3.381 20 0 CGADHM Cc1cc(F)ccc1CN1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000316197276 416538910 /nfs/dbraw/zinc/53/89/10/416538910.db2.gz YYYCSLTVKDZVPU-QGZVFWFLSA-N -1 3 299.345 3.318 20 0 CGADHM O=C(/C=C/c1ccc2c(c1)CCO2)Nc1cccc([O-])c1F ZINC000129685495 287337257 /nfs/dbraw/zinc/33/72/57/287337257.db2.gz FSVWVJUDSPYGII-FNORWQNLSA-N -1 3 299.301 3.118 20 0 CGADHM Cc1ccc(NC(=O)CSc2ccc(O)cc2)c([O-])c1 ZINC000129748295 287338468 /nfs/dbraw/zinc/33/84/68/287338468.db2.gz YZUZSMJYFOQKHI-UHFFFAOYSA-N -1 3 289.356 3.137 20 0 CGADHM Cc1cccc(CC2CN(C(=O)c3ccc([O-])c(C)c3)C2)c1 ZINC000679410254 543636078 /nfs/dbraw/zinc/63/60/78/543636078.db2.gz DSRFFNHZRNVJDX-UHFFFAOYSA-N -1 3 295.382 3.324 20 0 CGADHM C[C@H](CC(=O)N1CCCc2cccc([O-])c21)c1ccncc1 ZINC000679318880 543616442 /nfs/dbraw/zinc/61/64/42/543616442.db2.gz IPLXRUNDAHEFOP-CYBMUJFWSA-N -1 3 296.370 3.260 20 0 CGADHM Cc1ccc([O-])c(NC(=O)C[C@H]2CCc3ccccc32)n1 ZINC000680321071 543696515 /nfs/dbraw/zinc/69/65/15/543696515.db2.gz HLSCACKMRBVPGK-CYBMUJFWSA-N -1 3 282.343 3.154 20 0 CGADHM Cc1ccc([O-])c(NC(=O)C[C@@H]2CCc3ccccc32)n1 ZINC000680321072 543696636 /nfs/dbraw/zinc/69/66/36/543696636.db2.gz HLSCACKMRBVPGK-ZDUSSCGKSA-N -1 3 282.343 3.154 20 0 CGADHM C[C@@H]1c2ccc(F)cc2CCN1C(=O)c1cccc([O-])c1 ZINC000679635167 543652623 /nfs/dbraw/zinc/65/26/23/543652623.db2.gz FOHCTMDHPUTXBD-LLVKDONJSA-N -1 3 285.318 3.291 20 0 CGADHM O=C(c1cccc([O-])c1)N1CCC[C@@H]1c1ccc(O)cc1 ZINC000679638918 543652895 /nfs/dbraw/zinc/65/28/95/543652895.db2.gz XRWIWOKQRQSTJD-MRXNPFEDSA-N -1 3 283.327 3.075 20 0 CGADHM C[C@H](C(=O)Nc1ccc([O-])cc1F)C1CCCC1 ZINC000679919498 543667659 /nfs/dbraw/zinc/66/76/59/543667659.db2.gz AQQPXANNSYYZLX-VIFPVBQESA-N -1 3 251.301 3.296 20 0 CGADHM Cn1ncc([N-]c2ncc(Cl)s2)c1C(F)F ZINC000680898467 543745146 /nfs/dbraw/zinc/74/51/46/543745146.db2.gz KOIDHFVHMJSBHU-UHFFFAOYSA-N -1 3 264.688 3.211 20 0 CGADHM O=C(N[C@H]1CCC(F)(F)C1)c1ccc2c(c1[O-])CCCC2 ZINC000680449288 543711254 /nfs/dbraw/zinc/71/12/54/543711254.db2.gz XEAPKSQMXRNUII-NSHDSACASA-N -1 3 295.329 3.189 20 0 CGADHM O=C([N-]c1ncc(Cl)s1)c1c(F)ccc(F)c1F ZINC000681296728 543780891 /nfs/dbraw/zinc/78/08/91/543780891.db2.gz CPGKVCKMGDUNKZ-UHFFFAOYSA-N -1 3 292.669 3.466 20 0 CGADHM O=C(NC1CC=CC1)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000681737619 543804100 /nfs/dbraw/zinc/80/41/00/543804100.db2.gz SROSSHHAVMTNOH-UHFFFAOYSA-N -1 3 293.779 3.240 20 0 CGADHM Cc1cc(S(=O)(=O)[N-]C[C@H](C)C2CC2)sc1Cl ZINC000682724240 543863136 /nfs/dbraw/zinc/86/31/36/543863136.db2.gz USRHMRKYDDUASC-QMMMGPOBSA-N -1 3 293.841 3.034 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N2CCCc3sccc3C2)n1 ZINC000684090158 543965673 /nfs/dbraw/zinc/96/56/73/543965673.db2.gz BZWAGTGMVXFIOK-NSHDSACASA-N -1 3 289.404 3.062 20 0 CGADHM COc1cccc(C(=O)NCCCCc2ccccc2)c1[O-] ZINC000684816297 544031665 /nfs/dbraw/zinc/03/16/65/544031665.db2.gz BLICKRMHJRNKQZ-UHFFFAOYSA-N -1 3 299.370 3.154 20 0 CGADHM CC(C)(C)CCS(=O)(=O)[N-]c1ccc2scnc2c1 ZINC000685899832 544106351 /nfs/dbraw/zinc/10/63/51/544106351.db2.gz CVSBZFDMYDREHV-UHFFFAOYSA-N -1 3 298.433 3.474 20 0 CGADHM CC(C)[C@@H]1CN([C@@H](C(=O)[O-])c2ccc(F)cc2)CCS1 ZINC000652438888 418968629 /nfs/dbraw/zinc/96/86/29/418968629.db2.gz KRUAUZANTOTPID-UONOGXRCSA-N -1 3 297.395 3.025 20 0 CGADHM COc1cc(Cl)ccc1CN(CCC(=O)[O-])CC1CC1 ZINC000652467079 418972032 /nfs/dbraw/zinc/97/20/32/418972032.db2.gz JQMDYAJOSQDTKD-UHFFFAOYSA-N -1 3 297.782 3.035 20 0 CGADHM O=C([O-])[C@H]1CN(CCc2ccccc2F)Cc2ccccc21 ZINC000652469962 418972813 /nfs/dbraw/zinc/97/28/13/418972813.db2.gz JUURQXSWHXUPRU-INIZCTEOSA-N -1 3 299.345 3.052 20 0 CGADHM C[C@H](NC(=O)c1ccccc1[O-])C1CCC(F)(F)CC1 ZINC000654255160 418946783 /nfs/dbraw/zinc/94/67/83/418946783.db2.gz NMMGUKAVAZPVHU-JTQLQIEISA-N -1 3 283.318 3.336 20 0 CGADHM CCCc1nc(C)c(CN2CCC[C@@H](CCC(=O)[O-])C2)o1 ZINC000652494994 418975432 /nfs/dbraw/zinc/97/54/32/418975432.db2.gz IAFAJCGXDHPHTK-ZDUSSCGKSA-N -1 3 294.395 3.012 20 0 CGADHM CC(=O)C(C)(C)CCC(=O)Nc1c([O-])cccc1Cl ZINC000655110443 419022027 /nfs/dbraw/zinc/02/20/27/419022027.db2.gz WUDKUSZCWYWFOV-UHFFFAOYSA-N -1 3 283.755 3.380 20 0 CGADHM Cc1cc(C)n([C@H](C)C(=O)Nc2c([O-])cccc2Cl)n1 ZINC000655110523 419022417 /nfs/dbraw/zinc/02/24/17/419022417.db2.gz BYZJWBYEWLCFOC-SNVBAGLBSA-N -1 3 293.754 3.059 20 0 CGADHM Cc1ccc(C(=O)N2CC[C@H](c3cc(C)ccn3)C2)c([O-])c1 ZINC000655133309 419024207 /nfs/dbraw/zinc/02/42/07/419024207.db2.gz KFDHYKOXYHWWRC-AWEZNQCLSA-N -1 3 296.370 3.034 20 0 CGADHM CC(C)(C)C[C@@H]1C[C@H]1NC(=O)c1c[n-]c2ccccc2c1=O ZINC000652758937 418990003 /nfs/dbraw/zinc/99/00/03/418990003.db2.gz QDPMGYLAJPXWBR-XHDPSFHLSA-N -1 3 298.386 3.083 20 0 CGADHM Cc1ccc(NC(=O)[C@H]2COC[C@@H]2c2ccccc2)c([O-])c1 ZINC000665202446 419079858 /nfs/dbraw/zinc/07/98/58/419079858.db2.gz DCFFQEYZPZNPAX-CABCVRRESA-N -1 3 297.354 3.069 20 0 CGADHM C[C@@H](NCc1cccc(F)c1F)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656097628 419139873 /nfs/dbraw/zinc/13/98/73/419139873.db2.gz ASXZKKMVKSBTSZ-ADEWGFFLSA-N -1 3 297.345 3.190 20 0 CGADHM CC(F)(F)C(C)(C)[N-]S(=O)(=O)c1ccccc1Cl ZINC000656186476 419147235 /nfs/dbraw/zinc/14/72/35/419147235.db2.gz BPVYMGBRXNDZJA-UHFFFAOYSA-N -1 3 297.754 3.052 20 0 CGADHM O=C([N-]c1cnoc1)c1csc(C2CCCCC2)n1 ZINC000665720391 419154246 /nfs/dbraw/zinc/15/42/46/419154246.db2.gz HEKMRAPFNQXTSS-UHFFFAOYSA-N -1 3 277.349 3.431 20 0 CGADHM CCN(CC(C)C)C(=O)c1cc(SC)ccc1[O-] ZINC000666182089 419196177 /nfs/dbraw/zinc/19/61/77/419196177.db2.gz CYWSGNYBANYHGG-UHFFFAOYSA-N -1 3 267.394 3.232 20 0 CGADHM Cn1ncc(C2CCC2)c1C=Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000656614417 419186940 /nfs/dbraw/zinc/18/69/40/419186940.db2.gz ZAPUXKXLKUAFBR-BQYQJAHWSA-N -1 3 296.374 3.231 20 0 CGADHM Cc1ccc([O-])c(CN2CC(Cc3ccccc3C)C2)n1 ZINC000656648860 419190253 /nfs/dbraw/zinc/19/02/53/419190253.db2.gz JZXGTMQHWVMLHL-UHFFFAOYSA-N -1 3 282.387 3.079 20 0 CGADHM C[C@H](CNCc1cccc([O-])c1Cl)c1ccccn1 ZINC000657536064 419300212 /nfs/dbraw/zinc/30/02/12/419300212.db2.gz SODWOWRONRNYRS-LLVKDONJSA-N -1 3 276.767 3.334 20 0 CGADHM Cc1ccc([O-])c(C(=O)N2CCc3c2cccc3F)c1 ZINC000183769806 287543520 /nfs/dbraw/zinc/54/35/20/287543520.db2.gz QMBYEFVMDNRKDI-UHFFFAOYSA-N -1 3 271.291 3.043 20 0 CGADHM CC(C)(C)CN(CC(=O)[O-])Cc1ccccc1Cl ZINC000662229583 419366349 /nfs/dbraw/zinc/36/63/49/419366349.db2.gz VOSCEIGGLNGQGL-UHFFFAOYSA-N -1 3 269.772 3.273 20 0 CGADHM CSc1ccc([O-])c(-c2nc([C@@H](N)CC(C)C)no2)c1 ZINC000663250324 419530218 /nfs/dbraw/zinc/53/02/18/419530218.db2.gz DHFCHIIQLYTLOP-NSHDSACASA-N -1 3 293.392 3.210 20 0 CGADHM CC(C)c1cccc(CN[C@@H](C(=O)[O-])c2ccc(O)cc2)c1 ZINC000663260014 419534910 /nfs/dbraw/zinc/53/49/10/419534910.db2.gz MFZPBNATFYQVFE-QGZVFWFLSA-N -1 3 299.370 3.431 20 0 CGADHM Cc1cccc([O-])c1NC(=O)/C=C/c1ccc2c(c1)CCO2 ZINC000179543866 260053458 /nfs/dbraw/zinc/05/34/58/260053458.db2.gz CTZAJDJVKUGLCK-SOFGYWHQSA-N -1 3 295.338 3.287 20 0 CGADHM O=C(Nc1cccc(CO)c1)c1ccc2c(c1[O-])CCCC2 ZINC000184910815 262300299 /nfs/dbraw/zinc/30/02/99/262300299.db2.gz RPRAVMLHBMUQBJ-UHFFFAOYSA-N -1 3 297.354 3.016 20 0 CGADHM CCC(CC)(CC)CNC(=O)c1ccc(O)cc1[O-] ZINC000391378943 262478177 /nfs/dbraw/zinc/47/81/77/262478177.db2.gz ZTDQWYMXFAJCSJ-UHFFFAOYSA-N -1 3 265.353 3.044 20 0 CGADHM Cc1cccc2c1OCC[C@H]2NCc1ccc(C(=O)[O-])cc1 ZINC000414642651 263019367 /nfs/dbraw/zinc/01/93/67/263019367.db2.gz VYWGWTKDFMHWMI-MRXNPFEDSA-N -1 3 297.354 3.307 20 0 CGADHM CC[C@H]1CCCC[C@H]1NC(=O)c1cccc(OC)c1[O-] ZINC000042431710 270032877 /nfs/dbraw/zinc/03/28/77/270032877.db2.gz NDVBNGGFVKRNOK-WCQYABFASA-N -1 3 277.364 3.099 20 0 CGADHM CC(C)(CNC(=O)c1cccc([O-])c1)c1ccc(F)cc1 ZINC000182358128 270054082 /nfs/dbraw/zinc/05/40/82/270054082.db2.gz IGIQSMVTOXMTQE-UHFFFAOYSA-N -1 3 287.334 3.239 20 0 CGADHM COc1ccccc1CCC(=O)Nc1c(C)cccc1[O-] ZINC000183060878 270054900 /nfs/dbraw/zinc/05/49/00/270054900.db2.gz FHGPGWGPCKKRDL-UHFFFAOYSA-N -1 3 285.343 3.281 20 0 CGADHM C[C@@H]1CCN(C(=O)Cc2ccccc2)c2c([O-])cccc21 ZINC000186286871 270065505 /nfs/dbraw/zinc/06/55/05/270065505.db2.gz FSMTWPQPFORPNE-CYBMUJFWSA-N -1 3 281.355 3.475 20 0 CGADHM COc1cccc(C(=O)NCCCC2CCCC2)c1[O-] ZINC000220603609 270085961 /nfs/dbraw/zinc/08/59/61/270085961.db2.gz UPVUCGWCSJSTMV-UHFFFAOYSA-N -1 3 277.364 3.101 20 0 CGADHM Cc1cc(C(=O)N[C@@H]2CCC[C@H](C)CC2)ccc1[O-] ZINC000227535814 270087153 /nfs/dbraw/zinc/08/71/53/270087153.db2.gz JQMKIDVHSBIJLH-SMDDNHRTSA-N -1 3 261.365 3.399 20 0 CGADHM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000229338658 270088171 /nfs/dbraw/zinc/08/81/71/270088171.db2.gz CRKUIMHAIHTASQ-UHFFFAOYSA-N -1 3 297.326 3.382 20 0 CGADHM CCC1(CNC(=O)c2cccc(OC)c2[O-])CCCC1 ZINC000230201391 270088911 /nfs/dbraw/zinc/08/89/11/270088911.db2.gz HDXNXRKLKFPPDO-UHFFFAOYSA-N -1 3 277.364 3.101 20 0 CGADHM COC(=O)c1cnc(SCc2ccc3ncccc3c2)[n-]1 ZINC000519806288 270098130 /nfs/dbraw/zinc/09/81/30/270098130.db2.gz NDYVAXAGCYWSQL-UHFFFAOYSA-N -1 3 299.355 3.037 20 0 CGADHM Cc1ccc(SCC(F)(F)F)c([N-]S(C)(=O)=O)c1 ZINC000522956695 270107643 /nfs/dbraw/zinc/10/76/43/270107643.db2.gz DDBJXYMJBXDDCW-UHFFFAOYSA-N -1 3 299.339 3.021 20 0 CGADHM CC(C)[C@@H](C)C[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000523522137 270109651 /nfs/dbraw/zinc/10/96/51/270109651.db2.gz YKXBZKKMXOQUTN-VIFPVBQESA-N -1 3 293.791 3.050 20 0 CGADHM C[C@@H]1CCC[C@@H](CC[N-]S(=O)(=O)c2cccs2)C1 ZINC000523735470 270110643 /nfs/dbraw/zinc/11/06/43/270110643.db2.gz NTADYHNLRKIUTC-NEPJUHHUSA-N -1 3 287.450 3.243 20 0 CGADHM [O-]c1cccc(CNC[C@@H]2CCN2C2CCCC2)c1Cl ZINC000527808602 270137522 /nfs/dbraw/zinc/13/75/22/270137522.db2.gz JVTBAYBDXXMJCO-AWEZNQCLSA-N -1 3 294.826 3.152 20 0 CGADHM CCN(C(=O)c1cc([O-])cc(Br)c1)C(C)C ZINC000528103169 270154556 /nfs/dbraw/zinc/15/45/56/270154556.db2.gz ZEXCAUREKRZLNU-UHFFFAOYSA-N -1 3 286.169 3.025 20 0 CGADHM CC1(C)CCN(C(=O)c2cc([O-])cc(Br)c2)C1 ZINC000528696540 270169867 /nfs/dbraw/zinc/16/98/67/270169867.db2.gz GYPJLSSFHVKYBU-UHFFFAOYSA-N -1 3 298.180 3.027 20 0 CGADHM O=C(CC1(c2ccccc2)CC1)NCc1ccc([O-])c(F)c1 ZINC000528859889 270174696 /nfs/dbraw/zinc/17/46/96/270174696.db2.gz GSLIOEOZDZWUMV-UHFFFAOYSA-N -1 3 299.345 3.269 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)c2cnn(C3CC3)c2)c1[O-] ZINC000528910158 270175697 /nfs/dbraw/zinc/17/56/97/270175697.db2.gz YINGYQKQUVCADM-UHFFFAOYSA-N -1 3 291.738 3.138 20 0 CGADHM C[C@H](O[N-]C(=O)[C@H]1[C@H](C2CC2)[C@@H]1C)c1ccccc1 ZINC000529410641 270180652 /nfs/dbraw/zinc/18/06/52/270180652.db2.gz PQIBHQNDANHIKI-LWWSYDQCSA-N -1 3 259.349 3.088 20 0 CGADHM C[C@@H](c1cccc2ccccc21)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC000530170037 270195546 /nfs/dbraw/zinc/19/55/46/270195546.db2.gz OERYQNVVVMZFAO-IGCXYCKISA-N -1 3 299.370 3.075 20 0 CGADHM Cc1[n-][nH]c(=NC(=O)[C@H](C)C(C)C)c1-c1ccc(F)cc1 ZINC000530274769 270198176 /nfs/dbraw/zinc/19/81/76/270198176.db2.gz USKYWIWBAGYMQB-SNVBAGLBSA-N -1 3 289.354 3.177 20 0 CGADHM CCc1ccc([O-])c(C(=O)N[C@@H]2CCCC(F)(F)C2)c1 ZINC000532271549 270214709 /nfs/dbraw/zinc/21/47/09/270214709.db2.gz XQHXVNRJRGJBGV-LLVKDONJSA-N -1 3 283.318 3.262 20 0 CGADHM O=C(/C=C\c1c(F)cccc1F)Nc1cccc([O-])c1F ZINC000254981281 287853298 /nfs/dbraw/zinc/85/32/98/287853298.db2.gz RTMCNHBNCSJOFP-FPLPWBNLSA-N -1 3 293.244 3.461 20 0 CGADHM CC(C)c1scnc1[N-]C(=O)c1ncc(F)cc1F ZINC000289119886 276080909 /nfs/dbraw/zinc/08/09/09/276080909.db2.gz KMJPMURAFDVOMN-UHFFFAOYSA-N -1 3 283.303 3.192 20 0 CGADHM O=C(N[C@@H]1[C@H]2Cc3ccccc3[C@@H]12)c1cc([O-])ccc1Cl ZINC000378005001 287992539 /nfs/dbraw/zinc/99/25/39/287992539.db2.gz SUSAXPNTUPXLBU-NUEKZKHPSA-N -1 3 299.757 3.114 20 0 CGADHM CC(C)c1ccc(C(=O)N2CC[C@@H](C3CC3)C2)c([O-])c1 ZINC000436918016 278026509 /nfs/dbraw/zinc/02/65/09/278026509.db2.gz ZQWKLHQQTVNQRZ-CQSZACIVSA-N -1 3 273.376 3.388 20 0 CGADHM Cc1cc(C(=O)N2C[C@H](C)c3ccccc32)ccc1[O-] ZINC000398570301 288046353 /nfs/dbraw/zinc/04/63/53/288046353.db2.gz OYNOJQKBJKUMCO-LBPRGKRZSA-N -1 3 267.328 3.465 20 0 CGADHM CC(C)(C)[C@H](N)C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000232399308 278526873 /nfs/dbraw/zinc/52/68/73/278526873.db2.gz IQMXHWHRIDVGHW-SNVBAGLBSA-N -1 3 291.178 3.011 20 0 CGADHM C[C@@H]1CCN(C(=O)CNc2ccccc2)c2c([O-])cccc21 ZINC000423899704 278531121 /nfs/dbraw/zinc/53/11/21/278531121.db2.gz ZOELUPPVIVEQLK-CYBMUJFWSA-N -1 3 296.370 3.345 20 0 CGADHM CCCC(CCC)[S@](=O)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000414266387 288057549 /nfs/dbraw/zinc/05/75/49/288057549.db2.gz VUYLURXXOCVTSZ-HXUWFJFHSA-N -1 3 296.436 3.277 20 0 CGADHM CCc1ccc(CC)c(NC(=O)c2cccc3nn[n-]c32)c1 ZINC000526114984 288149609 /nfs/dbraw/zinc/14/96/09/288149609.db2.gz XSTVGUDRMOKABM-UHFFFAOYSA-N -1 3 294.358 3.335 20 0 CGADHM CCc1ccc(CC)c(NC(=O)c2cccc3[n-]nnc32)c1 ZINC000526114984 288149611 /nfs/dbraw/zinc/14/96/11/288149611.db2.gz XSTVGUDRMOKABM-UHFFFAOYSA-N -1 3 294.358 3.335 20 0 CGADHM CCc1ccc(CC)c(NC(=O)c2cccc3n[n-]nc32)c1 ZINC000526114984 288149612 /nfs/dbraw/zinc/14/96/12/288149612.db2.gz XSTVGUDRMOKABM-UHFFFAOYSA-N -1 3 294.358 3.335 20 0 CGADHM C[C@H]1CCN(C(=O)c2cccc(F)n2)c2c([O-])cccc21 ZINC000274390239 279712465 /nfs/dbraw/zinc/71/24/65/279712465.db2.gz PHZUNQAEOFJBOM-JTQLQIEISA-N -1 3 286.306 3.080 20 0 CGADHM CCCN(Cc1ccc(C)cc1)C(=O)c1csc(=O)[n-]1 ZINC000527456494 288169049 /nfs/dbraw/zinc/16/90/49/288169049.db2.gz GTRPGWJFQPJHJK-UHFFFAOYSA-N -1 3 290.388 3.210 20 0 CGADHM O=C([N-]OCc1ccccc1)[C@@H]1C[C@H]1c1ccsc1 ZINC000527711158 288189675 /nfs/dbraw/zinc/18/96/75/288189675.db2.gz NTDLZWGAJVJBKQ-UONOGXRCSA-N -1 3 273.357 3.100 20 0 CGADHM O=C([C@@H]1CCCC(F)(F)C1)N1CCCc2cccc([O-])c21 ZINC000282261385 280080998 /nfs/dbraw/zinc/08/09/98/280080998.db2.gz CSZUEKFNRMAEJE-GFCCVEGCSA-N -1 3 295.329 3.497 20 0 CGADHM O=C(c1[nH]ccc1C1CC1)N1CCCc2cccc([O-])c21 ZINC000335580993 280156146 /nfs/dbraw/zinc/15/61/46/280156146.db2.gz PCTVCYPTHYEZIB-UHFFFAOYSA-N -1 3 282.343 3.191 20 0 CGADHM O=C(Cc1ccc(F)c(Cl)c1)[N-]OC1CCCC1 ZINC000528965817 288225448 /nfs/dbraw/zinc/22/54/48/288225448.db2.gz OUQCNVBUSSGEBV-UHFFFAOYSA-N -1 3 271.719 3.012 20 0 CGADHM Cc1ccc(C(=O)N[C@H]2CCCOc3ccccc32)c([O-])c1 ZINC000436540900 280783817 /nfs/dbraw/zinc/78/38/17/280783817.db2.gz RICYZIXMXHHMNP-HNNXBMFYSA-N -1 3 297.354 3.344 20 0 CGADHM Cc1cc(C(=O)N[C@@H](c2ccccn2)C2CCC2)ccc1[O-] ZINC000529832068 288277613 /nfs/dbraw/zinc/27/76/13/288277613.db2.gz UCSDBPVFYIYGTF-QGZVFWFLSA-N -1 3 296.370 3.367 20 0 CGADHM C[C@@H](CN(C)Cc1oncc1C(=O)[O-])C1CCCCC1 ZINC000530172924 288292689 /nfs/dbraw/zinc/29/26/89/288292689.db2.gz LVGRDSZSMSVBMZ-NSHDSACASA-N -1 3 280.368 3.021 20 0 CGADHM CCc1ccc(C(=O)N2CC3(CCC3)C[C@@H]2C)c([O-])c1 ZINC000436953451 281394296 /nfs/dbraw/zinc/39/42/96/281394296.db2.gz PNUKCDLYAMWIIV-LBPRGKRZSA-N -1 3 273.376 3.359 20 0 CGADHM Cc1ccc(-c2nc3ccc(F)cc3c(=O)[n-]2)cc1O ZINC000531582679 288340603 /nfs/dbraw/zinc/34/06/03/288340603.db2.gz PQALTOJBDRNMEE-UHFFFAOYSA-N -1 3 270.263 3.156 20 0 CGADHM Cc1ccc([O-])c(C(=O)Nc2ccc(C)c3c[nH]nc32)c1 ZINC000539841643 288634814 /nfs/dbraw/zinc/63/48/14/288634814.db2.gz YURYFEBOEDUGAW-UHFFFAOYSA-N -1 3 281.315 3.138 20 0 CGADHM C[C@@H]1CCN(C(=O)c2ccc(O)cc2[O-])[C@H]2CCCC[C@@H]12 ZINC000541888688 288725497 /nfs/dbraw/zinc/72/54/97/288725497.db2.gz UAUNXBKRPCHFCC-ZLDLUXBVSA-N -1 3 289.375 3.139 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2cccc(OC(C)C)c2)n1 ZINC000549615079 289048632 /nfs/dbraw/zinc/04/86/32/289048632.db2.gz POIQOHYDNKEUAD-FPLPWBNLSA-N -1 3 270.332 3.448 20 0 CGADHM O=C(Nc1c([O-])cccc1Cl)c1ccccc1F ZINC000552432617 289188917 /nfs/dbraw/zinc/18/89/17/289188917.db2.gz SUTWPIVJCUXIDA-UHFFFAOYSA-N -1 3 265.671 3.437 20 0 CGADHM CCc1ccc([O-])c(C(=O)Nc2ccc3nccnc3c2)c1 ZINC000556956882 289425569 /nfs/dbraw/zinc/42/55/69/289425569.db2.gz WMUIJOYMMDDABL-UHFFFAOYSA-N -1 3 293.326 3.150 20 0 CGADHM [O-]c1cccnc1CSc1ccc(F)cc1F ZINC000562439310 289702374 /nfs/dbraw/zinc/70/23/74/289702374.db2.gz BGCNMEYJGIDQJS-UHFFFAOYSA-N -1 3 253.273 3.358 20 0 CGADHM C[C@H]1CCN(C(=O)c2cc3c(cc2[O-])CCCC3)C[C@H]1C ZINC000436960329 290561238 /nfs/dbraw/zinc/56/12/38/290561238.db2.gz GZJFTENHITUAOP-QWHCGFSZSA-N -1 3 287.403 3.389 20 0 CGADHM Cc1cncc(C(=O)N2CC[C@@H](C)c3cccc([O-])c32)c1 ZINC000274395945 292965577 /nfs/dbraw/zinc/96/55/77/292965577.db2.gz QYARNRLBVDUYIA-GFCCVEGCSA-N -1 3 282.343 3.250 20 0 CGADHM O=C(NC1CCC2(CC2)CC1)c1cc([O-])ccc1Cl ZINC000290389526 295612436 /nfs/dbraw/zinc/61/24/36/295612436.db2.gz JGXCONFVZMJCOS-UHFFFAOYSA-N -1 3 279.767 3.498 20 0 CGADHM C[C@H]([N-]C(=O)C1(C(F)(F)F)CCCC1)C(F)(F)F ZINC000415699428 299029957 /nfs/dbraw/zinc/02/99/57/299029957.db2.gz IQUFQLBIWHNLHN-LURJTMIESA-N -1 3 277.208 3.176 20 0 CGADHM C[C@H]1C[C@H](NC(=O)Cc2ccc([O-])c(F)c2)C[C@@H](C)C1 ZINC000449918593 300506212 /nfs/dbraw/zinc/50/62/12/300506212.db2.gz ZWLXEFVMNNLCBC-PJXYFTJBSA-N -1 3 279.355 3.015 20 0 CGADHM Cc1ccnc(NC(=O)c2cc([O-])ccc2C(F)(F)F)c1 ZINC000188875203 327761577 /nfs/dbraw/zinc/76/15/77/327761577.db2.gz HXLDGERYNHXOGH-UHFFFAOYSA-N -1 3 296.248 3.367 20 0 CGADHM CCc1noc(C)c1NC(=O)Cc1ccc([O-])cc1Cl ZINC000154140007 321735590 /nfs/dbraw/zinc/73/55/90/321735590.db2.gz IZCLRUGAGXMUNG-UHFFFAOYSA-N -1 3 294.738 3.086 20 0 CGADHM C[C@H](c1ccc(F)cc1)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000405291940 321971330 /nfs/dbraw/zinc/97/13/30/321971330.db2.gz KQRAIKIBYBKENO-RISCZKNCSA-N -1 3 277.339 3.073 20 0 CGADHM CCO[C@H](CC(=O)Nc1c([O-])cccc1Cl)C(C)C ZINC000565199339 322066133 /nfs/dbraw/zinc/06/61/33/322066133.db2.gz KRZUPGWXOKTZLA-GFCCVEGCSA-N -1 3 285.771 3.435 20 0 CGADHM CCO[C@@H](CC(=O)Nc1c([O-])cccc1Cl)C(C)C ZINC000565199343 322065915 /nfs/dbraw/zinc/06/59/15/322065915.db2.gz KRZUPGWXOKTZLA-LBPRGKRZSA-N -1 3 285.771 3.435 20 0 CGADHM CC[C@H]1CCC[C@H](NC(=O)c2c[n-]nc2-c2ccccn2)C1 ZINC000565628806 322084772 /nfs/dbraw/zinc/08/47/72/322084772.db2.gz AHUFELFIIZCAMA-STQMWFEESA-N -1 3 298.390 3.170 20 0 CGADHM CN(Cc1ccoc1C(=O)[O-])[C@@H]1CCCc2ccccc21 ZINC000566072997 322103146 /nfs/dbraw/zinc/10/31/46/322103146.db2.gz BSEJZFFZIAAVQM-OAHLLOKOSA-N -1 3 285.343 3.487 20 0 CGADHM CCOC[C@@H]1CCCN([C@H](C)c2cc(C)c(C(=O)[O-])o2)C1 ZINC000566359033 322117817 /nfs/dbraw/zinc/11/78/17/322117817.db2.gz OMFOTFUNFCQDSD-CHWSQXEVSA-N -1 3 295.379 3.096 20 0 CGADHM O=C(CC1CCC(=O)CC1)Nc1c([O-])cccc1Cl ZINC000566458176 322124260 /nfs/dbraw/zinc/12/42/60/322124260.db2.gz XLHOEMCSQIHHQE-UHFFFAOYSA-N -1 3 281.739 3.134 20 0 CGADHM Cc1cc(Cl)cc(NC(=O)C[C@H]2C[C@H]2C)c1[O-] ZINC000566709710 322135330 /nfs/dbraw/zinc/13/53/30/322135330.db2.gz KSRMCOFGYRLCJB-VXNVDRBHSA-N -1 3 253.729 3.339 20 0 CGADHM CN(Cc1nc2c3ccccc3oc2c(=O)[n-]1)C(C)(C)C ZINC000566736002 322136359 /nfs/dbraw/zinc/13/63/59/322136359.db2.gz KFTKHEOZLWVAJE-UHFFFAOYSA-N -1 3 285.347 3.312 20 0 CGADHM CC1(CC(=O)Nc2ccc(Br)cc2[O-])CC1 ZINC000567103061 322150195 /nfs/dbraw/zinc/15/01/95/322150195.db2.gz MVXNRFJYQBKTKJ-UHFFFAOYSA-N -1 3 284.153 3.283 20 0 CGADHM O=C([O-])[C@@H]1CCCC[C@@H]1NCc1ccsc1Cl ZINC000567883778 322181655 /nfs/dbraw/zinc/18/16/55/322181655.db2.gz HJMFEFWDAQBHGA-ZJUUUORDSA-N -1 3 273.785 3.135 20 0 CGADHM CCc1nc(C(C)C)ccc1CN1CCC[C@@H](C(=O)[O-])C1 ZINC000568064968 322191142 /nfs/dbraw/zinc/19/11/42/322191142.db2.gz WZMFRYYLVXSVSS-CQSZACIVSA-N -1 3 290.407 3.064 20 0 CGADHM [O-]c1cccc(CN[C@H]2[C@@H]3CCC[C@@H]32)c1Br ZINC000568274999 322202572 /nfs/dbraw/zinc/20/25/72/322202572.db2.gz KCHYHNOPRXFKFD-IWIIMEHWSA-N -1 3 282.181 3.043 20 0 CGADHM CCCC[C@@H](C)C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000569391105 322246212 /nfs/dbraw/zinc/24/62/12/322246212.db2.gz IXBVBYQPBPJUOP-SNVBAGLBSA-N -1 3 263.337 3.360 20 0 CGADHM CCCc1nc(C)c(CN2CCC(CCC(=O)[O-])CC2)o1 ZINC000569583770 322251211 /nfs/dbraw/zinc/25/12/11/322251211.db2.gz YJDWYTUZVALDKZ-UHFFFAOYSA-N -1 3 294.395 3.012 20 0 CGADHM Cc1ccc(C(=O)Nc2cnn(C(C)C)c2)c([O-])c1C ZINC000569596701 322251515 /nfs/dbraw/zinc/25/15/15/322251515.db2.gz NGKLKTWRFMCEGH-UHFFFAOYSA-N -1 3 273.336 3.039 20 0 CGADHM CC(C)C[C@@H]1CCN([C@H](C(=O)[O-])c2ccsc2)C1 ZINC000569858363 322258973 /nfs/dbraw/zinc/25/89/73/322258973.db2.gz VGYYLWOTMNMHPR-AAEUAGOBSA-N -1 3 267.394 3.242 20 0 CGADHM O=C(CC1CC(F)(F)C1)Nc1c([O-])cccc1Cl ZINC000570527397 322275921 /nfs/dbraw/zinc/27/59/21/322275921.db2.gz UAQKYLNFSSLFEF-UHFFFAOYSA-N -1 3 275.682 3.420 20 0 CGADHM CCC1(C(=O)Nc2cccc(C(C)=O)c2[O-])CCC1 ZINC000570634991 322278490 /nfs/dbraw/zinc/27/84/90/322278490.db2.gz RRTDGRIBSGPVSK-UHFFFAOYSA-N -1 3 261.321 3.114 20 0 CGADHM CCN(Cc1c(Cl)cccc1C(=O)[O-])CC1CC1 ZINC000571337435 322296281 /nfs/dbraw/zinc/29/62/81/322296281.db2.gz QVQFCBLAZKWJFV-UHFFFAOYSA-N -1 3 267.756 3.270 20 0 CGADHM Cc1c([N-]c2nc3cc(C)ccc3o2)cnn1[C@@H]1CCOC1 ZINC000571971262 322314065 /nfs/dbraw/zinc/31/40/65/322314065.db2.gz QSYBSMYDQJKUHC-GFCCVEGCSA-N -1 3 298.346 3.346 20 0 CGADHM C[C@@H]1CC[C@](CNCc2cccc(F)c2F)(CC(=O)[O-])C1 ZINC000573156575 322373308 /nfs/dbraw/zinc/37/33/08/322373308.db2.gz UIRQENZFJHOAKE-BDJLRTHQSA-N -1 3 297.345 3.336 20 0 CGADHM Cc1oc(CN(C)CC23CCC(CC2)C3)cc1C(=O)[O-] ZINC000573213739 322375785 /nfs/dbraw/zinc/37/57/85/322375785.db2.gz QDLHWAKOTXQLLE-UHFFFAOYSA-N -1 3 277.364 3.298 20 0 CGADHM CCCO[C@@H]1CCCN(Cc2cc(C)c(C(=O)[O-])o2)CC1 ZINC000573259207 322378897 /nfs/dbraw/zinc/37/88/97/322378897.db2.gz MKUZKHKBHUOKKM-CYBMUJFWSA-N -1 3 295.379 3.067 20 0 CGADHM CCc1noc(C)c1-c1noc(/C=C/c2cccc([O-])c2)n1 ZINC000574266019 322431773 /nfs/dbraw/zinc/43/17/73/322431773.db2.gz IJYNOJUWKHJWDD-BQYQJAHWSA-N -1 3 297.314 3.471 20 0 CGADHM C[C@@H](NC(=O)Cc1cncc([O-])c1)c1cccc(C2CC2)c1 ZINC000584124225 327046207 /nfs/dbraw/zinc/04/62/07/327046207.db2.gz YCWWHMHSONZMFG-GFCCVEGCSA-N -1 3 296.370 3.085 20 0 CGADHM O=C([O-])c1cccc(CN2C[C@@H]3CCC[C@H]3C2)c1Cl ZINC000394558012 329120705 /nfs/dbraw/zinc/12/07/05/329120705.db2.gz JLDYABZUDWKLGZ-QWRGUYRKSA-N -1 3 279.767 3.270 20 0 CGADHM Cc1cc(CN(C)[C@@H](C)c2ccccc2)oc1C(=O)[O-] ZINC000394882760 329166826 /nfs/dbraw/zinc/16/68/26/329166826.db2.gz ATXYTKGPVWNOJY-LBPRGKRZSA-N -1 3 273.332 3.479 20 0 CGADHM Cc1ccc([C@H]2CCCN2C(=O)Cc2cncc([O-])c2)cc1 ZINC000584479753 329499282 /nfs/dbraw/zinc/49/92/82/329499282.db2.gz FPQCPTGZURVPJT-QGZVFWFLSA-N -1 3 296.370 3.002 20 0 CGADHM O=C(Nc1cc(F)ccc1[O-])[C@@H]1CSc2ccccc21 ZINC000174892570 335168934 /nfs/dbraw/zinc/16/89/34/335168934.db2.gz ZTLKYTUGFFTYBN-LLVKDONJSA-N -1 3 289.331 3.359 20 0 CGADHM CCc1nc(C)c([C@H](C)N(C)Cc2ncccc2[O-])s1 ZINC000577324220 335338691 /nfs/dbraw/zinc/33/86/91/335338691.db2.gz KEJQZSZVNQDLAS-NSHDSACASA-N -1 3 291.420 3.308 20 0 CGADHM C[C@H]1CN(CCC(C)(C)CC(=O)[O-])Cc2ccccc2O1 ZINC000577389748 335347215 /nfs/dbraw/zinc/34/72/15/335347215.db2.gz PMPWXXFNCFYSDO-ZDUSSCGKSA-N -1 3 291.391 3.161 20 0 CGADHM CCOc1cc(-c2noc(C[C@@H]3C[C@H]3C)n2)ccc1[O-] ZINC000350563964 335514219 /nfs/dbraw/zinc/51/42/19/335514219.db2.gz DJUPZLHSJJLGKK-KOLCDFICSA-N -1 3 274.320 3.039 20 0 CGADHM CCSCCCc1noc(-c2cccc(OC)c2[O-])n1 ZINC000350992394 335555782 /nfs/dbraw/zinc/55/57/82/335555782.db2.gz KNFNRIAENURXFB-UHFFFAOYSA-N -1 3 294.376 3.137 20 0 CGADHM C[C@H]1CC[C@H](C(=O)Nc2cccc([O-])c2F)CC1 ZINC000579014875 335700600 /nfs/dbraw/zinc/70/06/00/335700600.db2.gz GNFJZAOJRNLKSW-MGCOHNPYSA-N -1 3 251.301 3.296 20 0 CGADHM [O-]c1cccnc1CN[C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000579407722 335745083 /nfs/dbraw/zinc/74/50/83/335745083.db2.gz LREVJNHRTNWTSM-ZBFHGGJFSA-N -1 3 298.386 3.045 20 0 CGADHM CC(C)=CCC[C@H](C)NC(=O)N=c1cc2ccccn2[n-]1 ZINC000579678639 335854664 /nfs/dbraw/zinc/85/46/64/335854664.db2.gz CATYAVITHMISFC-ZDUSSCGKSA-N -1 3 286.379 3.013 20 0 CGADHM Cc1ccc(C(=O)Nc2cc(Cl)ccc2[O-])cc1O ZINC000193812443 335987467 /nfs/dbraw/zinc/98/74/67/335987467.db2.gz GFBBSLHSWNFNHA-UHFFFAOYSA-N -1 3 277.707 3.312 20 0 CGADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@@H]3CC34CC4)nc2)n1 ZINC000581181428 336020338 /nfs/dbraw/zinc/02/03/38/336020338.db2.gz VOTCKYQITMOBDT-LBPRGKRZSA-N -1 3 296.374 3.019 20 0 CGADHM CCc1ccc([O-])c(C(=O)NC2CC(C(F)(F)F)C2)c1 ZINC000581390432 336067468 /nfs/dbraw/zinc/06/74/68/336067468.db2.gz PDBWCSSXOKIFIG-UHFFFAOYSA-N -1 3 287.281 3.025 20 0 CGADHM CCC[C@@H]1[C@@H](C)CCCN1Cc1nc(C(=O)[O-])cs1 ZINC000581889794 336160802 /nfs/dbraw/zinc/16/08/02/336160802.db2.gz MPDDWFRNYKKYIC-CMPLNLGQSA-N -1 3 282.409 3.242 20 0 CGADHM COc1ccc([O-])c(C(=O)N[C@@H](C)CCC(C)(C)C)c1 ZINC000386068981 336165837 /nfs/dbraw/zinc/16/58/37/336165837.db2.gz CLUVGJCXLXLVEU-NSHDSACASA-N -1 3 279.380 3.345 20 0 CGADHM Cc1csc(-c2nc(-c3ccc([O-])cc3)no2)c1 ZINC000386104398 336166443 /nfs/dbraw/zinc/16/64/43/336166443.db2.gz RZNGWWNHMDDCGN-UHFFFAOYSA-N -1 3 258.302 3.479 20 0 CGADHM C[C@H](CCC(=O)[O-])CNCc1c(F)cccc1Cl ZINC000426655730 533795999 /nfs/dbraw/zinc/79/59/99/533795999.db2.gz FHUFUEJXTFKYSL-SECBINFHSA-N -1 3 273.735 3.070 20 0 CGADHM CSCc1cccnc1C(=O)Nc1cc(F)ccc1[O-] ZINC000436977636 533868555 /nfs/dbraw/zinc/86/85/55/533868555.db2.gz GBHLWVDBUPCFAI-UHFFFAOYSA-N -1 3 292.335 3.042 20 0 CGADHM Cc1c(NC(=O)c2cccc(C)c2[O-])cnn1CC(C)C ZINC000436968024 533917792 /nfs/dbraw/zinc/91/77/92/533917792.db2.gz UMHNDPSBMDFCDY-UHFFFAOYSA-N -1 3 287.363 3.114 20 0 CGADHM CS[C@H]1CCC[C@@H](NC(=O)c2ccc(C)c(C)c2[O-])C1 ZINC000436543339 534092812 /nfs/dbraw/zinc/09/28/12/534092812.db2.gz DXOCVUJBSDWRQR-OLZOCXBDSA-N -1 3 293.432 3.413 20 0 CGADHM C[C@H]1CCCC[C@@H]1CNC(=O)Cc1ccc([O-])c(F)c1 ZINC000448795065 534170852 /nfs/dbraw/zinc/17/08/52/534170852.db2.gz OVPNALQYCNUXQJ-WCQYABFASA-N -1 3 279.355 3.016 20 0 CGADHM COc1ccc([O-])c2nc(/C=C/c3cn(C)nc3C)ccc12 ZINC000358663214 534205550 /nfs/dbraw/zinc/20/55/50/534205550.db2.gz QWBARXZPTTZZNH-SNAWJCMRSA-N -1 3 295.342 3.161 20 0 CGADHM Cc1ccc(-c2nc(-c3ccco3)no2)c([O-])c1C ZINC000436509390 534206314 /nfs/dbraw/zinc/20/63/14/534206314.db2.gz BJDNBHUAEYHFEW-UHFFFAOYSA-N -1 3 256.261 3.319 20 0 CGADHM CCO[C@H](CC)C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000536219109 517717586 /nfs/dbraw/zinc/71/75/86/517717586.db2.gz IIBDDWSXYNKWNP-LLVKDONJSA-N -1 3 271.744 3.108 20 0 CGADHM C[C@@H]1CN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])[C@H]1C ZINC000436633941 534401990 /nfs/dbraw/zinc/40/19/90/534401990.db2.gz JDGZHVMFOKKGKT-KGLIPLIRSA-N -1 3 295.382 3.463 20 0 CGADHM Cc1cccc(C(=O)N(C)Cc2cc(F)cc(F)c2)c1[O-] ZINC000437007033 534584446 /nfs/dbraw/zinc/58/44/46/534584446.db2.gz XIKPKVDUHYYNDF-UHFFFAOYSA-N -1 3 291.297 3.251 20 0 CGADHM CC[C@@H](C(=O)[O-])N(C)Cc1cccc(Cl)c1Cl ZINC000086802948 521882784 /nfs/dbraw/zinc/88/27/84/521882784.db2.gz BMVRZRZXIXRYSY-JTQLQIEISA-N -1 3 276.163 3.288 20 0 CGADHM Cc1ccc(C)c(C[S@](=O)c2ccc([O-])cc2)c1 ZINC000108083577 524110857 /nfs/dbraw/zinc/11/08/57/524110857.db2.gz NAGGSFITSXNHLS-GOSISDBHSA-N -1 3 260.358 3.317 20 0 CGADHM Cc1ccc(CN2Cc3ccccc3C[C@@H]2C(=O)[O-])cc1 ZINC000061449111 524483582 /nfs/dbraw/zinc/48/35/82/524483582.db2.gz KQGOPXJMEWWOTB-QGZVFWFLSA-N -1 3 281.355 3.007 20 0 CGADHM O=S(=O)([N-]CC1CC1)c1c(Cl)ccc2ccccc21 ZINC000440394738 534866299 /nfs/dbraw/zinc/86/62/99/534866299.db2.gz WEZKPBFRJHMWIE-UHFFFAOYSA-N -1 3 295.791 3.182 20 0 CGADHM CC(=O)c1cccc(NC(=O)/C=C\C2CCCC2)c1[O-] ZINC000493237739 534889624 /nfs/dbraw/zinc/88/96/24/534889624.db2.gz JJMNMKAYRYEWTR-KTKRTIGZSA-N -1 3 273.332 3.280 20 0 CGADHM CC(=O)c1cccc(NC(=O)/C=C\C(C)(C)C)c1[O-] ZINC000493020082 534889840 /nfs/dbraw/zinc/88/98/40/534889840.db2.gz GRFIYCYUIUHGSF-HJWRWDBZSA-N -1 3 261.321 3.136 20 0 CGADHM CCC(CC)(CC)NC(=O)c1ccc(OC)cc1[O-] ZINC000086645799 534907337 /nfs/dbraw/zinc/90/73/37/534907337.db2.gz QYMHERLFXWYOLR-UHFFFAOYSA-N -1 3 265.353 3.099 20 0 CGADHM [O-]c1cc(F)cc(CN2CCC[C@H](C(F)(F)F)C2)c1 ZINC000184150437 526332743 /nfs/dbraw/zinc/33/27/43/526332743.db2.gz CRLJBDPSANBYOH-JTQLQIEISA-N -1 3 277.261 3.306 20 0 CGADHM CC(C)(C)[C@@H]1CCCN(C(=O)c2cccc([O-])c2)C1 ZINC000358309062 526652435 /nfs/dbraw/zinc/65/24/35/526652435.db2.gz MQHJADPNQVUVCE-CYBMUJFWSA-N -1 3 261.365 3.291 20 0 CGADHM CC(C)(CCCNCc1cccc(Cl)c1F)C(=O)[O-] ZINC000426650187 527016032 /nfs/dbraw/zinc/01/60/32/527016032.db2.gz ADUGHSDCDANDQO-UHFFFAOYSA-N -1 3 287.762 3.460 20 0 CGADHM CC(=O)c1ccc(C(=O)N2CC[C@H](C(C)(C)C)C2)cc1[O-] ZINC000412252492 527247996 /nfs/dbraw/zinc/24/79/96/527247996.db2.gz MFYFJPJDBRJSQO-ZDUSSCGKSA-N -1 3 289.375 3.103 20 0 CGADHM C/C(=C/c1ccccc1)CN(C)C(=O)c1c([O-])cccc1O ZINC000436824072 527503367 /nfs/dbraw/zinc/50/33/67/527503367.db2.gz YNLXULZHWBUMRK-QBFSEMIESA-N -1 3 297.354 3.273 20 0 CGADHM CC(C)[C@H]1CCN(C(=O)c2cc3c(cc2[O-])CCCC3)C1 ZINC000436582882 527798477 /nfs/dbraw/zinc/79/84/77/527798477.db2.gz IRXMEACAWQEOKM-HNNXBMFYSA-N -1 3 287.403 3.389 20 0 CGADHM CC(C)c1ccc(C(=O)NCC2CC(F)(F)C2)c([O-])c1 ZINC000436674433 528067911 /nfs/dbraw/zinc/06/79/11/528067911.db2.gz HVSKFUPHTPGERY-UHFFFAOYSA-N -1 3 283.318 3.291 20 0 CGADHM CCOc1cc(-c2noc(C[C@H](C)CC)n2)ccc1[O-] ZINC000436876952 528189693 /nfs/dbraw/zinc/18/96/93/528189693.db2.gz LQIWZOLCYOWQNN-SNVBAGLBSA-N -1 3 276.336 3.430 20 0 CGADHM CC(C)COc1ncccc1C(=O)Nc1ccccc1[O-] ZINC000103186384 528195967 /nfs/dbraw/zinc/19/59/67/528195967.db2.gz BJRJCZIHCNPSMB-UHFFFAOYSA-N -1 3 286.331 3.074 20 0 CGADHM CCC(C)(C)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000428361529 528533257 /nfs/dbraw/zinc/53/32/57/528533257.db2.gz FDQWCIULPSUBKP-UHFFFAOYSA-N -1 3 281.830 3.116 20 0 CGADHM CCCCOc1ccc(C(=O)N2CCC[C@H]2CF)c([O-])c1 ZINC000436714909 528661272 /nfs/dbraw/zinc/66/12/72/528661272.db2.gz NLMVGUXSVSQQKS-LBPRGKRZSA-N -1 3 295.354 3.145 20 0 CGADHM CC(C)n1nccc1C=Cc1cc(=O)[n-]c(C(C)(C)C)n1 ZINC000414072510 528670487 /nfs/dbraw/zinc/67/04/87/528670487.db2.gz LPDASBWTMVTCAD-SREVYHEPSA-N -1 3 286.379 3.428 20 0 CGADHM CCOc1cccc([C@@H]2C[C@@H]2NC(=O)c2ccccc2[O-])c1 ZINC000436699625 528682671 /nfs/dbraw/zinc/68/26/71/528682671.db2.gz VRTWLQRRPJLQQO-HOTGVXAUSA-N -1 3 297.354 3.077 20 0 CGADHM CCCCn1c(=O)[n-]nc1SC[C@H](C)C(F)(F)F ZINC000439038496 529071013 /nfs/dbraw/zinc/07/10/13/529071013.db2.gz DXSRETMDEZOGIJ-ZETCQYMHSA-N -1 3 283.319 3.074 20 0 CGADHM CCN(C(=O)c1cc(OC)ccc1[O-])C1CC(C)(C)C1 ZINC000412838864 529076049 /nfs/dbraw/zinc/07/60/49/529076049.db2.gz KZKKGYHFNIHRFB-UHFFFAOYSA-N -1 3 277.364 3.052 20 0 CGADHM CC(C)[C@H](NC(=O)c1cc([O-])ccc1Cl)C(F)(F)F ZINC000413987952 529107864 /nfs/dbraw/zinc/10/78/64/529107864.db2.gz OQIOZUNKOABVIX-JTQLQIEISA-N -1 3 295.688 3.362 20 0 CGADHM CCCc1cc(NC(=O)c2c[n-]nc2-c2ccccc2)n[nH]1 ZINC000109912699 535410913 /nfs/dbraw/zinc/41/09/13/535410913.db2.gz ZUFDGJVTNILLJE-UHFFFAOYSA-N -1 3 295.346 3.005 20 0 CGADHM CC[C@@]1(C(C)C)C[C@H]1NC(=O)NCc1ccc([O-])c(F)c1 ZINC000455627353 536031861 /nfs/dbraw/zinc/03/18/61/536031861.db2.gz PMBAAZDLHGAZEW-ZBFHGGJFSA-N -1 3 294.370 3.155 20 0 CGADHM CCc1cc(C(=O)N2C[C@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)ccc1[O-] ZINC000456081079 536117653 /nfs/dbraw/zinc/11/76/53/536117653.db2.gz KXKOKUWYUATNCT-UEABVUSTSA-N -1 3 297.398 3.239 20 0 CGADHM CCc1cc(C(=O)NCc2ccc(C)cc2OC)ccc1[O-] ZINC000486649541 536123989 /nfs/dbraw/zinc/12/39/89/536123989.db2.gz HHOZLLKGLHTFBG-UHFFFAOYSA-N -1 3 299.370 3.202 20 0 CGADHM CCc1cc(C(=O)Nc2ccc(F)cc2F)ccc1[O-] ZINC000485400694 536134659 /nfs/dbraw/zinc/13/46/59/536134659.db2.gz CBPRKWCKTZZOJM-UHFFFAOYSA-N -1 3 277.270 3.485 20 0 CGADHM CCc1ccc(C(=O)N(C)[C@@H](C)c2cccnc2)c([O-])c1 ZINC000190564977 536164701 /nfs/dbraw/zinc/16/47/01/536164701.db2.gz OWZOBHXLCWXXSN-LBPRGKRZSA-N -1 3 284.359 3.183 20 0 CGADHM CC(C)(C)c1nc(=S)n(CN2CCC(C)(C)CC2)[n-]1 ZINC000726964754 571690364 /nfs/dbraw/zinc/69/03/64/571690364.db2.gz CHMZWDALGUJLCH-UHFFFAOYSA-N -1 3 282.457 3.318 20 0 CGADHM C[C@H]1CSC[C@@H]1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000335896684 571771030 /nfs/dbraw/zinc/77/10/30/571771030.db2.gz VVRONFPVINGAPW-HZMBPMFUSA-N -1 3 287.384 3.027 20 0 CGADHM CCCCCC[C@@H](C)CC(=O)Nc1nnc(SC)[n-]1 ZINC000727854120 571773348 /nfs/dbraw/zinc/77/33/48/571773348.db2.gz YGLFOBLGEKZNNH-SNVBAGLBSA-N -1 3 284.429 3.462 20 0 CGADHM CCCCCC[C@@H](C)CC(=O)Nc1nc(SC)n[n-]1 ZINC000727854120 571773350 /nfs/dbraw/zinc/77/33/50/571773350.db2.gz YGLFOBLGEKZNNH-SNVBAGLBSA-N -1 3 284.429 3.462 20 0 CGADHM CCCCCC[C@@H](C)CC(=O)Nc1n[n-]c(SC)n1 ZINC000727854120 571773351 /nfs/dbraw/zinc/77/33/51/571773351.db2.gz YGLFOBLGEKZNNH-SNVBAGLBSA-N -1 3 284.429 3.462 20 0 CGADHM Cc1ccc(C[C@H](C)Nc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000737334916 572338181 /nfs/dbraw/zinc/33/81/81/572338181.db2.gz OWJGXIVRXBSYFZ-JTQLQIEISA-N -1 3 299.403 3.280 20 0 CGADHM Cc1ccc(C[C@H](C)Nc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000737334916 572338184 /nfs/dbraw/zinc/33/81/84/572338184.db2.gz OWJGXIVRXBSYFZ-JTQLQIEISA-N -1 3 299.403 3.280 20 0 CGADHM Cc1ccc(NCc2ccc(-c3nnn[n-]3)cc2)cc1Cl ZINC000737362141 572338709 /nfs/dbraw/zinc/33/87/09/572338709.db2.gz OEMVWIKBUVFTCL-UHFFFAOYSA-N -1 3 299.765 3.441 20 0 CGADHM Cc1ccc(NCc2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000737362141 572338711 /nfs/dbraw/zinc/33/87/11/572338711.db2.gz OEMVWIKBUVFTCL-UHFFFAOYSA-N -1 3 299.765 3.441 20 0 CGADHM Cc1cccc([C@H](C)Nc2ncccc2-c2nnn[n-]2)c1C ZINC000737391318 572339372 /nfs/dbraw/zinc/33/93/72/572339372.db2.gz ZSQTYHVFDQLBCD-LBPRGKRZSA-N -1 3 294.362 3.052 20 0 CGADHM Cc1cccc([C@H](C)Nc2ncccc2-c2nn[n-]n2)c1C ZINC000737391318 572339374 /nfs/dbraw/zinc/33/93/74/572339374.db2.gz ZSQTYHVFDQLBCD-LBPRGKRZSA-N -1 3 294.362 3.052 20 0 CGADHM Cc1cccc(C)c1CSc1cc(-c2nnn[n-]2)ccn1 ZINC000737391414 572339774 /nfs/dbraw/zinc/33/97/74/572339774.db2.gz ZIQUPHPEGTXZFM-UHFFFAOYSA-N -1 3 297.387 3.171 20 0 CGADHM Cc1cccc(C)c1CSc1cc(-c2nn[n-]n2)ccn1 ZINC000737391414 572339777 /nfs/dbraw/zinc/33/97/77/572339777.db2.gz ZIQUPHPEGTXZFM-UHFFFAOYSA-N -1 3 297.387 3.171 20 0 CGADHM Cc1cccc(Sc2cccc(F)c2-c2nnn[n-]2)c1 ZINC000737409229 572340404 /nfs/dbraw/zinc/34/04/04/572340404.db2.gz CBMLANJACAGTDN-UHFFFAOYSA-N -1 3 286.335 3.465 20 0 CGADHM CN(Cc1ccc(F)cc1)[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000737472694 572346968 /nfs/dbraw/zinc/34/69/68/572346968.db2.gz XGNBSJQNYHPSIC-OAHLLOKOSA-N -1 3 291.297 3.223 20 0 CGADHM c1cc(N2CCC3(CCCC3)CC2)ccc1-c1nnn[n-]1 ZINC000738412182 572373955 /nfs/dbraw/zinc/37/39/55/572373955.db2.gz BRAAPLRDCDZHLT-UHFFFAOYSA-N -1 3 283.379 3.027 20 0 CGADHM c1cc(N2CCC3(CCCC3)CC2)ccc1-c1nn[n-]n1 ZINC000738412182 572373960 /nfs/dbraw/zinc/37/39/60/572373960.db2.gz BRAAPLRDCDZHLT-UHFFFAOYSA-N -1 3 283.379 3.027 20 0 CGADHM c1csc(SCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000738413244 572374795 /nfs/dbraw/zinc/37/47/95/572374795.db2.gz PJYTYQNDSCQXAD-UHFFFAOYSA-N -1 3 274.374 3.221 20 0 CGADHM c1csc(SCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000738413244 572374802 /nfs/dbraw/zinc/37/48/02/572374802.db2.gz PJYTYQNDSCQXAD-UHFFFAOYSA-N -1 3 274.374 3.221 20 0 CGADHM C[C@@H](c1ccc(Cl)cc1)N1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000739054949 572401245 /nfs/dbraw/zinc/40/12/45/572401245.db2.gz VEMDRLRREPSERZ-RYUDHWBXSA-N -1 3 296.798 3.333 20 0 CGADHM CSCCCCC(=O)Nc1n[n-]c(-c2cccs2)n1 ZINC000739717164 572423197 /nfs/dbraw/zinc/42/31/97/572423197.db2.gz JABBTZUMJTWDRZ-UHFFFAOYSA-N -1 3 296.421 3.005 20 0 CGADHM O=C([O-])c1coc(CN(CCc2ccccc2)C2CC2)c1 ZINC000740269974 572438920 /nfs/dbraw/zinc/43/89/20/572438920.db2.gz SVFICRXONCTDGI-UHFFFAOYSA-N -1 3 285.343 3.185 20 0 CGADHM C[C@@H](c1ccccc1F)N(C)CC1CCN(C(=O)[O-])CC1 ZINC000739062049 572462449 /nfs/dbraw/zinc/46/24/49/572462449.db2.gz ZUMFYEFEMJGSDJ-LBPRGKRZSA-N -1 3 294.370 3.209 20 0 CGADHM Cc1nonc1C(=O)[N-]c1ccc(-c2ccccc2)cc1F ZINC000733916656 572618108 /nfs/dbraw/zinc/61/81/08/572618108.db2.gz HWYWQEPVYMWHIB-UHFFFAOYSA-N -1 3 297.289 3.436 20 0 CGADHM C[C@H](CCC1CCCCC1)[N-]C(=O)C(F)(F)F ZINC000734449374 572657485 /nfs/dbraw/zinc/65/74/85/572657485.db2.gz XXGPCEFFMJKKNH-SECBINFHSA-N -1 3 251.292 3.414 20 0 CGADHM COCCCCCOC(=O)c1ccc(Cl)cc1[O-] ZINC000735124101 572702329 /nfs/dbraw/zinc/70/23/29/572702329.db2.gz MBIDOOAFKACYQC-UHFFFAOYSA-N -1 3 272.728 3.019 20 0 CGADHM C[C@H](CNc1c(F)cc(-c2nnn[n-]2)cc1F)C(C)(C)C ZINC000736026502 572762618 /nfs/dbraw/zinc/76/26/18/572762618.db2.gz OXRKPRMIUJRCGG-MRVPVSSYSA-N -1 3 295.337 3.239 20 0 CGADHM C[C@H](CNc1c(F)cc(-c2nn[n-]n2)cc1F)C(C)(C)C ZINC000736026502 572762620 /nfs/dbraw/zinc/76/26/20/572762620.db2.gz OXRKPRMIUJRCGG-MRVPVSSYSA-N -1 3 295.337 3.239 20 0 CGADHM C[C@H](CSc1ccc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC000736046508 572765596 /nfs/dbraw/zinc/76/55/96/572765596.db2.gz KQBHAVWUHYHWKQ-LLVKDONJSA-N -1 3 297.387 3.158 20 0 CGADHM C[C@H](CSc1ccc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC000736046508 572765601 /nfs/dbraw/zinc/76/56/01/572765601.db2.gz KQBHAVWUHYHWKQ-LLVKDONJSA-N -1 3 297.387 3.158 20 0 CGADHM CCC(CC)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000736345003 572783086 /nfs/dbraw/zinc/78/30/86/572783086.db2.gz DKBSFMFDPXJPPV-UHFFFAOYSA-N -1 3 299.300 3.486 20 0 CGADHM CCC(CC)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000736345003 572783089 /nfs/dbraw/zinc/78/30/89/572783089.db2.gz DKBSFMFDPXJPPV-UHFFFAOYSA-N -1 3 299.300 3.486 20 0 CGADHM CC(C)(NCc1ccoc1C(=O)[O-])c1ccc(F)cc1 ZINC000736339378 572783097 /nfs/dbraw/zinc/78/30/97/572783097.db2.gz HJQSPZUPVRXYGN-UHFFFAOYSA-N -1 3 277.295 3.142 20 0 CGADHM CC[C@H](Cc1ccccc1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000736353781 572783572 /nfs/dbraw/zinc/78/35/72/572783572.db2.gz YEQCSQCLCXAXJO-OAHLLOKOSA-N -1 3 293.374 3.300 20 0 CGADHM CC[C@H](Cc1ccccc1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000736353781 572783575 /nfs/dbraw/zinc/78/35/75/572783575.db2.gz YEQCSQCLCXAXJO-OAHLLOKOSA-N -1 3 293.374 3.300 20 0 CGADHM CC[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000736403577 572787025 /nfs/dbraw/zinc/78/70/25/572787025.db2.gz WGVROJVBFJKODO-SNVBAGLBSA-N -1 3 291.786 3.147 20 0 CGADHM CC[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000736403577 572787027 /nfs/dbraw/zinc/78/70/27/572787027.db2.gz WGVROJVBFJKODO-SNVBAGLBSA-N -1 3 291.786 3.147 20 0 CGADHM CC[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000736403956 572787875 /nfs/dbraw/zinc/78/78/75/572787875.db2.gz ZYFGTYSHMSUTSX-LLVKDONJSA-N -1 3 289.358 3.022 20 0 CGADHM CC[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000736403956 572787878 /nfs/dbraw/zinc/78/78/78/572787878.db2.gz ZYFGTYSHMSUTSX-LLVKDONJSA-N -1 3 289.358 3.022 20 0 CGADHM CCC[C@H](C)N(C)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736426175 572788337 /nfs/dbraw/zinc/78/83/37/572788337.db2.gz XZLLIWDQOBMUEA-VIFPVBQESA-N -1 3 279.775 3.145 20 0 CGADHM CCC[C@H](C)N(C)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736426175 572788343 /nfs/dbraw/zinc/78/83/43/572788343.db2.gz XZLLIWDQOBMUEA-VIFPVBQESA-N -1 3 279.775 3.145 20 0 CGADHM CCCC[C@@H]1CCC[C@H]1Nc1ccc(-c2nnn[n-]2)cn1 ZINC000736441311 572792050 /nfs/dbraw/zinc/79/20/50/572792050.db2.gz PGVNEUSVHHJXSU-DGCLKSJQSA-N -1 3 286.383 3.033 20 0 CGADHM CCCC[C@@H]1CCC[C@H]1Nc1ccc(-c2nn[n-]n2)cn1 ZINC000736441311 572792054 /nfs/dbraw/zinc/79/20/54/572792054.db2.gz PGVNEUSVHHJXSU-DGCLKSJQSA-N -1 3 286.383 3.033 20 0 CGADHM C[C@@H](c1ccc(C(=O)[O-])o1)N1CC[C@@H](c2ccco2)C1 ZINC000736715998 572806138 /nfs/dbraw/zinc/80/61/38/572806138.db2.gz FROLZNVEBOLGCL-WDEREUQCSA-N -1 3 275.304 3.121 20 0 CGADHM O=C([N-]OCc1ccc(C(F)(F)F)cc1)[C@@H]1CC12CCC2 ZINC000746923394 572900476 /nfs/dbraw/zinc/90/04/76/572900476.db2.gz PFNMUSPRLLKGRK-LBPRGKRZSA-N -1 3 299.292 3.443 20 0 CGADHM O=c1[n-]c(Oc2ccc(F)cc2)nc2ccccc21 ZINC000750530060 573146218 /nfs/dbraw/zinc/14/62/18/573146218.db2.gz CJODIBXFRUKVQV-UHFFFAOYSA-N -1 3 256.236 3.267 20 0 CGADHM Nc1ccc(C(=O)Nc2cccc3ccccc32)c([O-])c1 ZINC000750788401 573180355 /nfs/dbraw/zinc/18/03/55/573180355.db2.gz NBYLEROUZRDTPB-UHFFFAOYSA-N -1 3 278.311 3.380 20 0 CGADHM C[C@H](CNc1ccc(-c2nn[n-]n2)cc1)Cc1cccs1 ZINC000820274622 599040412 /nfs/dbraw/zinc/04/04/12/599040412.db2.gz JRPRRERHTPGCSM-NSHDSACASA-N -1 3 299.403 3.219 20 0 CGADHM Cc1ccc(Cl)cc1Oc1ccc(-c2nnn[n-]2)cn1 ZINC000822240235 599084072 /nfs/dbraw/zinc/08/40/72/599084072.db2.gz YIOZJNMVLHMABQ-UHFFFAOYSA-N -1 3 287.710 3.016 20 0 CGADHM Cc1ccc(Cl)cc1Oc1ccc(-c2nn[n-]n2)cn1 ZINC000822240235 599084075 /nfs/dbraw/zinc/08/40/75/599084075.db2.gz YIOZJNMVLHMABQ-UHFFFAOYSA-N -1 3 287.710 3.016 20 0 CGADHM CC(C)[C@H](C)Sc1cccc(F)c1-c1nnn[n-]1 ZINC000820020310 599098960 /nfs/dbraw/zinc/09/89/60/599098960.db2.gz DNJYVPYGLQDJBC-QMMMGPOBSA-N -1 3 266.345 3.142 20 0 CGADHM CC(C)[C@H](C)SCc1cccc(-c2nnn[n-]2)c1 ZINC000820020264 599129379 /nfs/dbraw/zinc/12/93/79/599129379.db2.gz COHXLZVLNYJBJH-JTQLQIEISA-N -1 3 262.382 3.144 20 0 CGADHM CC(C)[C@H](C)SCc1cccc(-c2nn[n-]n2)c1 ZINC000820020264 599129382 /nfs/dbraw/zinc/12/93/82/599129382.db2.gz COHXLZVLNYJBJH-JTQLQIEISA-N -1 3 262.382 3.144 20 0 CGADHM O=C([O-])CCNCc1csc(-c2ccc(Cl)cc2)n1 ZINC000819503120 597135804 /nfs/dbraw/zinc/13/58/04/597135804.db2.gz RFGVCHSHYBXJAD-UHFFFAOYSA-N -1 3 296.779 3.028 20 0 CGADHM O=C([O-])c1ccc(CN[C@@H]2CCc3c2cccc3F)cc1 ZINC000819676101 597457535 /nfs/dbraw/zinc/45/75/35/597457535.db2.gz SKZPVRHHAFOXPI-MRXNPFEDSA-N -1 3 285.318 3.301 20 0 CGADHM O=C([O-])c1coc(CN2CCC3(CCCC3)CC2)c1 ZINC000062954765 600442235 /nfs/dbraw/zinc/44/22/35/600442235.db2.gz LPXWMNAVUDTDIX-UHFFFAOYSA-N -1 3 263.337 3.134 20 0 CGADHM C[C@]1(c2ccccc2)C[C@@H]1N[C@@H](C(=O)[O-])c1ccccc1F ZINC000828123661 600755172 /nfs/dbraw/zinc/75/51/72/600755172.db2.gz WZWQTYXSZQZPKN-LZLYRXPVSA-N -1 3 299.345 3.271 20 0 CGADHM Cc1cccc2c1CCN([C@@H](C(=O)[O-])c1ccccc1F)C2 ZINC000832974934 600999129 /nfs/dbraw/zinc/99/91/29/600999129.db2.gz QTNYNFQPXBEWOT-QGZVFWFLSA-N -1 3 299.345 3.318 20 0 CGADHM CC1(C)CN([C@@H](C(=O)[O-])c2cccc(Cl)c2)CCS1 ZINC000828075032 601328495 /nfs/dbraw/zinc/32/84/95/601328495.db2.gz ZROJZCCZFCRLAR-GFCCVEGCSA-N -1 3 299.823 3.293 20 0 CGADHM COc1ccc(C)cc1[C@H](C)N[C@@H](C(=O)[O-])c1ccccc1 ZINC000315179715 601457479 /nfs/dbraw/zinc/45/74/79/601457479.db2.gz IORXIKCTUGXJFB-SUMWQHHRSA-N -1 3 299.370 3.480 20 0 CGADHM Cc1[n-]n(-c2ccc(OC(F)F)cc2)c(=O)c1C(C)C ZINC000899350041 620653166 /nfs/dbraw/zinc/65/31/66/620653166.db2.gz RXDMDTKGKLFBCQ-LBPRGKRZSA-N -1 3 282.290 3.283 20 0 CGADHM C[C@@H]1c2cc(Cl)c(Cl)cc2CCN1CCC(=O)[O-] ZINC000828526805 602344061 /nfs/dbraw/zinc/34/40/61/602344061.db2.gz DLXDHMXUQGGXLO-MRVPVSSYSA-N -1 3 288.174 3.387 20 0 CGADHM C[C@H](c1ccc(Cl)cc1)N1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000739179162 602766109 /nfs/dbraw/zinc/76/61/09/602766109.db2.gz VHOLMKPEWLIIQH-JTNHKYCSSA-N -1 3 296.798 3.379 20 0 CGADHM C[C@@H](NC[C@@H]1CCCN1C(=O)[O-])c1ccc2ccccc2n1 ZINC000825490249 604295919 /nfs/dbraw/zinc/29/59/19/604295919.db2.gz JWQSVFIDVBUSAE-OCCSQVGLSA-N -1 3 299.374 3.028 20 0 CGADHM C/C(=C\CN[C@@H](C)c1ccccc1OC(C)C)C(=O)[O-] ZINC000833385374 605068931 /nfs/dbraw/zinc/06/89/31/605068931.db2.gz SGWQYKGXQXLYPQ-SRXBQZRASA-N -1 3 277.364 3.155 20 0 CGADHM C[C@H](c1ccccc1)N(Cc1ccc(C(=O)[O-])[nH]1)C1CC1 ZINC000833547911 605104673 /nfs/dbraw/zinc/10/46/73/605104673.db2.gz GPILMHFVQZYRBD-GFCCVEGCSA-N -1 3 284.359 3.439 20 0 CGADHM Clc1ccccc1NCc1ccccc1-c1nnn[n-]1 ZINC000822590633 606606509 /nfs/dbraw/zinc/60/65/09/606606509.db2.gz KZDUJXAQVUSPMX-UHFFFAOYSA-N -1 3 285.738 3.132 20 0 CGADHM Clc1ccccc1NCc1ccccc1-c1nn[n-]n1 ZINC000822590633 606606511 /nfs/dbraw/zinc/60/65/11/606606511.db2.gz KZDUJXAQVUSPMX-UHFFFAOYSA-N -1 3 285.738 3.132 20 0 CGADHM Clc1ccc(NCc2ccccc2-c2nnn[n-]2)cc1 ZINC000822578836 606632887 /nfs/dbraw/zinc/63/28/87/606632887.db2.gz QNSVBAWSUGYYSX-UHFFFAOYSA-N -1 3 285.738 3.132 20 0 CGADHM Clc1ccc(NCc2ccccc2-c2nn[n-]n2)cc1 ZINC000822578836 606632888 /nfs/dbraw/zinc/63/28/88/606632888.db2.gz QNSVBAWSUGYYSX-UHFFFAOYSA-N -1 3 285.738 3.132 20 0 CGADHM Fc1ccc(CSc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822775288 607012097 /nfs/dbraw/zinc/01/20/97/607012097.db2.gz UMGSBUJMRRAIPW-UHFFFAOYSA-N -1 3 286.335 3.298 20 0 CGADHM Fc1ccc(CSc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822775288 607012099 /nfs/dbraw/zinc/01/20/99/607012099.db2.gz UMGSBUJMRRAIPW-UHFFFAOYSA-N -1 3 286.335 3.298 20 0 CGADHM Cc1cccc(C)c1CNc1ccc(F)cc1-c1nnn[n-]1 ZINC000822293711 607038580 /nfs/dbraw/zinc/03/85/80/607038580.db2.gz IWTSKQKHEMDMJW-UHFFFAOYSA-N -1 3 297.337 3.235 20 0 CGADHM Cc1cccc(C)c1CNc1ccc(F)cc1-c1nn[n-]n1 ZINC000822293711 607038582 /nfs/dbraw/zinc/03/85/82/607038582.db2.gz IWTSKQKHEMDMJW-UHFFFAOYSA-N -1 3 297.337 3.235 20 0 CGADHM CC(C)[C@@H](C)SCc1cc(F)ccc1-c1nnn[n-]1 ZINC000820021087 607039139 /nfs/dbraw/zinc/03/91/39/607039139.db2.gz PDRQNFJXKZAOTR-SECBINFHSA-N -1 3 280.372 3.284 20 0 CGADHM CC(C)[C@@H](C)SCc1cc(F)ccc1-c1nn[n-]n1 ZINC000820021087 607039140 /nfs/dbraw/zinc/03/91/40/607039140.db2.gz PDRQNFJXKZAOTR-SECBINFHSA-N -1 3 280.372 3.284 20 0 CGADHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000820294493 607236232 /nfs/dbraw/zinc/23/62/32/607236232.db2.gz TWKIKLSVQVWCCI-GFCCVEGCSA-N -1 3 280.331 3.049 20 0 CGADHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000820294493 607236233 /nfs/dbraw/zinc/23/62/33/607236233.db2.gz TWKIKLSVQVWCCI-GFCCVEGCSA-N -1 3 280.331 3.049 20 0 CGADHM CC[C@@H](C)[C@H](C)Nc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000825059090 608228642 /nfs/dbraw/zinc/22/86/42/608228642.db2.gz CUUNFUZTPABJPH-MNOVXSKESA-N -1 3 296.378 3.261 20 0 CGADHM CC[C@@H](C)[C@H](C)Nc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000825059090 608228644 /nfs/dbraw/zinc/22/86/44/608228644.db2.gz CUUNFUZTPABJPH-MNOVXSKESA-N -1 3 296.378 3.261 20 0 CGADHM c1ccc([C@H]2C[C@H]2CNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826520864 608869489 /nfs/dbraw/zinc/86/94/89/608869489.db2.gz SWTHUKHJMYKXMR-GOEBONIOSA-N -1 3 291.358 3.082 20 0 CGADHM c1ccc([C@H]2C[C@H]2CNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826520864 608869490 /nfs/dbraw/zinc/86/94/90/608869490.db2.gz SWTHUKHJMYKXMR-GOEBONIOSA-N -1 3 291.358 3.082 20 0 CGADHM Cc1cnc([C@@H](C)Sc2ccccc2-c2nnn[n-]2)o1 ZINC000826317640 608886584 /nfs/dbraw/zinc/88/65/84/608886584.db2.gz KBUZABUKBZHXIX-SECBINFHSA-N -1 3 287.348 3.016 20 0 CGADHM Cc1cnc([C@@H](C)Sc2ccccc2-c2nn[n-]n2)o1 ZINC000826317640 608886586 /nfs/dbraw/zinc/88/65/86/608886586.db2.gz KBUZABUKBZHXIX-SECBINFHSA-N -1 3 287.348 3.016 20 0 CGADHM CCCSc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000825342156 609452382 /nfs/dbraw/zinc/45/23/82/609452382.db2.gz ORHMXYGEWZFMAF-UHFFFAOYSA-N -1 3 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297.345 3.493 20 0 CGADHM CCCN(Cc1c(F)cccc1Cl)C[C@@H]1C[C@H]1C(=O)[O-] ZINC000903887261 621822526 /nfs/dbraw/zinc/82/25/26/621822526.db2.gz OZRRGYMKHCSVOK-WDEREUQCSA-N -1 3 299.773 3.412 20 0 CGADHM Cc1cccc([C@@H](CC(=O)[O-])NCc2ccncc2C)c1 ZINC000904046019 621859242 /nfs/dbraw/zinc/85/92/42/621859242.db2.gz ULPILMBMLQQUBF-MRXNPFEDSA-N -1 3 284.359 3.004 20 0 CGADHM O=C(NCc1ccc([O-])c(F)c1)[C@@H]1CCC=CCCC1 ZINC000907060463 622280074 /nfs/dbraw/zinc/28/00/74/622280074.db2.gz OOZUBDKRTBLLKY-CYBMUJFWSA-N -1 3 277.339 3.284 20 0 CGADHM O=C(CCc1ccc(F)cc1)[N-]OCc1ccccc1 ZINC000061509247 623149994 /nfs/dbraw/zinc/14/99/94/623149994.db2.gz JIPVWXVSQZIUOL-UHFFFAOYSA-N -1 3 273.307 3.006 20 0 CGADHM C/C(=C\C(=O)NCc1ccc([O-])c(F)c1)c1ccccc1 ZINC000172415734 623247863 /nfs/dbraw/zinc/24/78/63/623247863.db2.gz FWBBSVRFDXWUGG-FMIVXFBMSA-N -1 3 285.318 3.251 20 0 CGADHM CC(C)C[C@H](C)OCCC(=O)[N-]OCc1ccccc1 ZINC000151578780 623542520 /nfs/dbraw/zinc/54/25/20/623542520.db2.gz AIVZYVLRQKYBDI-AWEZNQCLSA-N 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ROWCHXNDIGUTCD-UITAMQMPSA-N -1 3 287.262 3.115 20 0 CGADHM COc1cc(C(=O)OCCCC(C)(C)C)cc(OC)c1[O-] ZINC000781194124 628546056 /nfs/dbraw/zinc/54/60/56/628546056.db2.gz GLGCTDWYHNKKSL-UHFFFAOYSA-N -1 3 296.363 3.393 20 0 CGADHM CCCCCC(C)(C)C(=O)Nc1ncccc1[O-] ZINC000783646354 628735219 /nfs/dbraw/zinc/73/52/19/628735219.db2.gz SNQOUKMQOVEKBE-UHFFFAOYSA-N -1 3 250.342 3.332 20 0 CGADHM O=C([N-][C@H]1CCc2c1ccc(Cl)c2Cl)C(F)F ZINC000787357651 629009720 /nfs/dbraw/zinc/00/97/20/629009720.db2.gz OOZFJNYJMAHEPE-QMMMGPOBSA-N -1 3 280.101 3.362 20 0 CGADHM Cc1cc(=O)[n-]c([C@H](C)N2Cc3ccccc3[C@@H](C)C2)n1 ZINC000790267109 629198654 /nfs/dbraw/zinc/19/86/54/629198654.db2.gz LGHCNFPYTBNQGM-AAEUAGOBSA-N -1 3 283.375 3.171 20 0 CGADHM O=C(N[C@H]1CC=CCC1)c1cc2sccc2c([O-])c1 ZINC000791364850 629269864 /nfs/dbraw/zinc/26/98/64/629269864.db2.gz RRAAGAGOCMAVNM-NSHDSACASA-N -1 3 273.357 3.445 20 0 CGADHM CCc1cc(=O)[n-]c(CSCc2cccnc2Cl)n1 ZINC000125521866 634721538 /nfs/dbraw/zinc/72/15/38/634721538.db2.gz RMMPXDKHJMVKSW-UHFFFAOYSA-N -1 3 295.795 3.226 20 0 CGADHM C[C@H](OC(=O)c1ccc([O-])cc1)c1ccc(F)cc1 ZINC000021279495 634737793 /nfs/dbraw/zinc/73/77/93/634737793.db2.gz VREZEYZBCOBORQ-JTQLQIEISA-N -1 3 260.264 3.449 20 0 CGADHM O=C(Cc1coc2ccccc12)[N-]OCc1ccccc1 ZINC000794622527 629562328 /nfs/dbraw/zinc/56/23/28/629562328.db2.gz ZWWRECZOOZGJRV-UHFFFAOYSA-N -1 3 281.311 3.223 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)CCc1ccc(OC)c(Cl)c1 ZINC000794843987 629586925 /nfs/dbraw/zinc/58/69/25/629586925.db2.gz UMFWZMKKHLJUPV-LLVKDONJSA-N -1 3 299.798 3.375 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)Cc1cccc(Cl)c1F ZINC000794851698 629587757 /nfs/dbraw/zinc/58/77/57/629587757.db2.gz HVMNGDYWFMJMGK-SECBINFHSA-N -1 3 273.735 3.116 20 0 CGADHM CC[C@H](C)CO[N-]C(=O)C[C@@H]1CCc2ccccc2C1 ZINC000794864439 629591464 /nfs/dbraw/zinc/59/14/64/629591464.db2.gz LQSRQQRKUPUTHZ-UONOGXRCSA-N -1 3 275.392 3.276 20 0 CGADHM CC[C@@H](C)CO[N-]C(=O)Cc1c(F)cccc1Cl ZINC000794874496 629593390 /nfs/dbraw/zinc/59/33/90/629593390.db2.gz HKVYUBUGLYEOIC-SECBINFHSA-N -1 3 273.735 3.116 20 0 CGADHM O=C([N-]c1nc(C2CC2)no1)c1coc2cc(F)ccc12 ZINC000795108942 629632834 /nfs/dbraw/zinc/63/28/34/629632834.db2.gz KPHJZZZZVRAPPM-UHFFFAOYSA-N -1 3 287.250 3.085 20 0 CGADHM CC(C)(C)c1csc(CNC[C@H](CC2CC2)C(=O)[O-])n1 ZINC000864517611 629850581 /nfs/dbraw/zinc/85/05/81/629850581.db2.gz YDQQZYIACXKDOO-NSHDSACASA-N -1 3 296.436 3.031 20 0 CGADHM CCc1ccc(COC(=O)c2cc(F)cc3[n-]nnc32)cc1 ZINC000800262955 630256422 /nfs/dbraw/zinc/25/64/22/630256422.db2.gz VLAFHLMMFNAHPH-UHFFFAOYSA-N -1 3 299.305 3.016 20 0 CGADHM CCc1ccc(COC(=O)c2cc(F)cc3nn[n-]c32)cc1 ZINC000800262955 630256426 /nfs/dbraw/zinc/25/64/26/630256426.db2.gz VLAFHLMMFNAHPH-UHFFFAOYSA-N -1 3 299.305 3.016 20 0 CGADHM CCc1ccc(COC(=O)c2cc(F)cc3n[n-]nc32)cc1 ZINC000800262955 630256431 /nfs/dbraw/zinc/25/64/31/630256431.db2.gz VLAFHLMMFNAHPH-UHFFFAOYSA-N -1 3 299.305 3.016 20 0 CGADHM CC[C@H](OC(=O)c1cc(F)cc2[n-]nnc21)c1ccccc1 ZINC000800263050 630256741 /nfs/dbraw/zinc/25/67/41/630256741.db2.gz WPSJODBWJGYHPG-AWEZNQCLSA-N -1 3 299.305 3.405 20 0 CGADHM CC[C@H](OC(=O)c1cc(F)cc2nn[n-]c21)c1ccccc1 ZINC000800263050 630256742 /nfs/dbraw/zinc/25/67/42/630256742.db2.gz WPSJODBWJGYHPG-AWEZNQCLSA-N -1 3 299.305 3.405 20 0 CGADHM CC[C@H](OC(=O)c1cc(F)cc2n[n-]nc21)c1ccccc1 ZINC000800263050 630256744 /nfs/dbraw/zinc/25/67/44/630256744.db2.gz WPSJODBWJGYHPG-AWEZNQCLSA-N -1 3 299.305 3.405 20 0 CGADHM COc1cccc(CCC(=O)[N-]OC2CCCCC2)c1F ZINC000803128811 630449207 /nfs/dbraw/zinc/44/92/07/630449207.db2.gz ODQLNPBNSKPBBO-UHFFFAOYSA-N -1 3 295.354 3.147 20 0 CGADHM Cc1csc(SCc2cc(=O)[n-]c(C3CC3)n2)n1 ZINC000840011246 630490157 /nfs/dbraw/zinc/49/01/57/630490157.db2.gz JPBSCKRXQAVRKG-UHFFFAOYSA-N -1 3 279.390 3.117 20 0 CGADHM Cc1cc(=O)[n-]c(C=Cc2cncc3ccccc23)n1 ZINC000806574435 630568218 /nfs/dbraw/zinc/56/82/18/630568218.db2.gz PSCHGLPESYEYEN-SREVYHEPSA-N -1 3 263.300 3.209 20 0 CGADHM CO[C@H](C)CCOC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000810599384 630900960 /nfs/dbraw/zinc/90/09/60/630900960.db2.gz DSKAPAZVWULTLM-SSDOTTSWSA-N -1 3 287.768 3.465 20 0 CGADHM CCO[C@@H]1C[C@@H]1COC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000810722960 630934808 /nfs/dbraw/zinc/93/48/08/630934808.db2.gz CAKGIKZPCAXQPI-PSASIEDQSA-N -1 3 299.779 3.465 20 0 CGADHM O=C(CCc1cc(Cl)cs1)[N-]OC/C=C\Cl ZINC000812404122 631246713 /nfs/dbraw/zinc/24/67/13/631246713.db2.gz WRVJSWPYNWGULN-RJRFIUFISA-N -1 3 280.176 3.134 20 0 CGADHM O=C(Cc1cc(Cl)ccc1Cl)[N-]OC1CCC1 ZINC000812795553 631313857 /nfs/dbraw/zinc/31/38/57/631313857.db2.gz CILHOEKEZVQCMY-UHFFFAOYSA-N -1 3 274.147 3.136 20 0 CGADHM COC1(CCOC(=O)c2cccc(Cl)c2[O-])CCC1 ZINC000815230181 631745199 /nfs/dbraw/zinc/74/51/99/631745199.db2.gz LOWZLJGTQOCOFF-UHFFFAOYSA-N -1 3 284.739 3.162 20 0 CGADHM CN(Cc1ccc(Cl)nc1)Cc1c(F)ccc([O-])c1F ZINC000816483857 631989253 /nfs/dbraw/zinc/98/92/53/631989253.db2.gz HRNHWVHWPRSPMT-UHFFFAOYSA-N -1 3 298.720 3.351 20 0 CGADHM CCSc1cccc(C[N-]C(=O)C(F)(F)C(F)F)c1 ZINC000816983070 632070196 /nfs/dbraw/zinc/07/01/96/632070196.db2.gz HNVCAYWDDWGYEK-UHFFFAOYSA-N -1 3 295.301 3.315 20 0 CGADHM O=C(Cc1ccccc1C(F)(F)F)[N-]OCCC1CC1 ZINC000817379699 632135239 /nfs/dbraw/zinc/13/52/39/632135239.db2.gz XWXIGUJHAJQMMW-UHFFFAOYSA-N -1 3 287.281 3.096 20 0 CGADHM CCn1cc(CC(=O)[N-]OCCC2CC2)c2ccccc21 ZINC000817399475 632137557 /nfs/dbraw/zinc/13/75/57/632137557.db2.gz MYKOQXHQIKKZHS-UHFFFAOYSA-N -1 3 286.375 3.052 20 0 CGADHM C[C@H](CCC(=O)[N-]OCCC1CC1)c1ccccc1 ZINC000817393027 632137738 /nfs/dbraw/zinc/13/77/38/632137738.db2.gz HDFGTDQRTUDAOP-CYBMUJFWSA-N -1 3 261.365 3.418 20 0 CGADHM Cc1oc2ccccc2c1CC(=O)[N-]OCCC1CC1 ZINC000817416508 632146363 /nfs/dbraw/zinc/14/63/63/632146363.db2.gz JENNNNWJDFSRRY-UHFFFAOYSA-N -1 3 273.332 3.132 20 0 CGADHM C[C@@H](CCCc1ccccc1)C(=O)[N-]OCCC1CC1 ZINC000817420935 632147488 /nfs/dbraw/zinc/14/74/88/632147488.db2.gz GTRCTIJHWFIFET-AWEZNQCLSA-N -1 3 275.392 3.493 20 0 CGADHM CC[C@@H](C)[C@@H](C)N(C(=O)c1ccc(N)cc1[O-])C1CC1 ZINC000817937716 632237629 /nfs/dbraw/zinc/23/76/29/632237629.db2.gz VCOHDGQDEHDFFO-GHMZBOCLSA-N -1 3 276.380 3.014 20 0 CGADHM CSc1ccc(CCCC(=O)[N-]OCC2CC2)cc1 ZINC000843894133 635793837 /nfs/dbraw/zinc/79/38/37/635793837.db2.gz SHAWZVLOASEDGY-UHFFFAOYSA-N -1 3 279.405 3.189 20 0 CGADHM CCC[C@H](CC)C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000822939374 633041436 /nfs/dbraw/zinc/04/14/36/633041436.db2.gz MLMVBRXCLIJNEH-NSHDSACASA-N -1 3 263.337 3.360 20 0 CGADHM CC[C@H](Nc1nccc(C)c1-c1nnn[n-]1)c1ccccc1 ZINC000825147584 633332557 /nfs/dbraw/zinc/33/25/57/633332557.db2.gz KBLDRRAIRDMMEX-ZDUSSCGKSA-N -1 3 294.362 3.133 20 0 CGADHM CC[C@H](Nc1nccc(C)c1-c1nn[n-]n1)c1ccccc1 ZINC000825147584 633332560 /nfs/dbraw/zinc/33/25/60/633332560.db2.gz KBLDRRAIRDMMEX-ZDUSSCGKSA-N -1 3 294.362 3.133 20 0 CGADHM [O-]c1ccc(F)c(CN2CCC(c3ccon3)CC2)c1F ZINC000827628925 633504092 /nfs/dbraw/zinc/50/40/92/633504092.db2.gz BJJCACYGOHPFAM-UHFFFAOYSA-N -1 3 294.301 3.038 20 0 CGADHM CO[C@H](CNCc1c(F)ccc([O-])c1F)C1CCCCC1 ZINC000827674616 633510083 /nfs/dbraw/zinc/51/00/83/633510083.db2.gz UIJXKPYLYUBHOP-OAHLLOKOSA-N -1 3 299.361 3.355 20 0 CGADHM CO[C@H]1CC[C@H](C)N(C(=O)c2ccc(C(C)C)cc2[O-])C1 ZINC000870720293 633634952 /nfs/dbraw/zinc/63/49/52/633634952.db2.gz OJLDQJBEIBGIBT-JSGCOSHPSA-N -1 3 291.391 3.155 20 0 CGADHM CO[C@H]1CC[C@@H](C)N(C(=O)c2ccc(C(C)C)cc2[O-])C1 ZINC000870720294 633635026 /nfs/dbraw/zinc/63/50/26/633635026.db2.gz OJLDQJBEIBGIBT-OCCSQVGLSA-N -1 3 291.391 3.155 20 0 CGADHM CCC[C@@H](C)CC(=O)[N-]OCCCC(F)(F)F ZINC000871211330 633728239 /nfs/dbraw/zinc/72/82/39/633728239.db2.gz OUENMPSDKLKUNI-SECBINFHSA-N -1 3 255.280 3.203 20 0 CGADHM CC(C)c1ccc(C(=O)NC2CC3(CSC3)C2)c([O-])c1 ZINC000871507326 633778530 /nfs/dbraw/zinc/77/85/30/633778530.db2.gz CSGYCSUIIZLGHS-UHFFFAOYSA-N -1 3 291.416 3.141 20 0 CGADHM C[C@H](NCc1ccc2c(c1)OCO2)c1cccc([O-])c1F ZINC000872016958 633937054 /nfs/dbraw/zinc/93/70/54/633937054.db2.gz RIFNOGHLFAOLHU-JTQLQIEISA-N -1 3 289.306 3.111 20 0 CGADHM C[C@@H](NCc1cccc2c1OCO2)c1cccc([O-])c1F ZINC000872024870 633944979 /nfs/dbraw/zinc/94/49/79/633944979.db2.gz WSUHJWSJUMOLAV-SNVBAGLBSA-N -1 3 289.306 3.111 20 0 CGADHM CC(C)n1ccc(CN[C@@H](C)c2cccc([O-])c2F)n1 ZINC000872039271 633959201 /nfs/dbraw/zinc/95/92/01/633959201.db2.gz RRYGRGQRTLSZBM-NSHDSACASA-N -1 3 277.343 3.160 20 0 CGADHM CSCCO[N-]C(=O)C1=C(c2ccccc2)CCCC1 ZINC000831582713 633979103 /nfs/dbraw/zinc/97/91/03/633979103.db2.gz DTBDBXADTVAEAQ-UHFFFAOYSA-N -1 3 291.416 3.425 20 0 CGADHM C[C@H](Nc1cnn(CC(F)F)c1)c1cccc([O-])c1F ZINC000872056083 633979141 /nfs/dbraw/zinc/97/91/41/633979141.db2.gz OLQLIYSGBUHOSA-QMMMGPOBSA-N -1 3 285.269 3.166 20 0 CGADHM CCn1ncc(N[C@H](C)c2cccc([O-])c2F)c1C ZINC000872139889 634063495 /nfs/dbraw/zinc/06/34/95/634063495.db2.gz RXBJKPBFGVYIMY-SECBINFHSA-N -1 3 263.316 3.229 20 0 CGADHM CC/C=C\CCN1CCc2c(C(=O)[O-])ccc(OC)c2C1 ZINC000872166703 634073254 /nfs/dbraw/zinc/07/32/54/634073254.db2.gz OATWOMSYJOBXBF-PLNGDYQASA-N -1 3 289.375 3.108 20 0 CGADHM C/C=C\COc1cccc(CC(=O)[N-]OCCC2CC2)c1 ZINC000832845778 634103086 /nfs/dbraw/zinc/10/30/86/634103086.db2.gz UJTIRSUGIVCKIG-IHWYPQMZSA-N -1 3 289.375 3.032 20 0 CGADHM C/C=C/COc1cccc(CC(=O)[N-]OCCC2CC2)c1 ZINC000832845779 634103381 /nfs/dbraw/zinc/10/33/81/634103381.db2.gz UJTIRSUGIVCKIG-NSCUHMNNSA-N -1 3 289.375 3.032 20 0 CGADHM CSc1ccc(CCCC(=O)[N-]OC2CCC2)cc1 ZINC000843899687 635793192 /nfs/dbraw/zinc/79/31/92/635793192.db2.gz NRYGTJOSCBLAEV-UHFFFAOYSA-N -1 3 279.405 3.332 20 0 CGADHM CC1(C)C[C@@H](COc2ccc3c([O-])coc3c2)C(C)(C)O1 ZINC000883015410 636506189 /nfs/dbraw/zinc/50/61/89/636506189.db2.gz RHEGFWPABSRQAB-NSHDSACASA-N -1 3 290.359 3.234 20 0 CGADHM O=C([O-])[C@@H]1CCCCCN1Cc1cc2ccccc2o1 ZINC000086814458 636785413 /nfs/dbraw/zinc/78/54/13/636785413.db2.gz DFJXKRPKQBMDNT-AWEZNQCLSA-N -1 3 273.332 3.262 20 0 CGADHM CC(C)Cc1csc2[n-]c(-c3cccnn3)nc(=O)c12 ZINC000887316188 637795092 /nfs/dbraw/zinc/79/50/92/637795092.db2.gz LRXLYEPHPZFMIK-UHFFFAOYSA-N -1 3 286.360 3.052 20 0 CGADHM O=C(c1cc([O-])c2ccccc2c1)N1CC[C@@H]2C[C@@H]2C1 ZINC000856066573 638292537 /nfs/dbraw/zinc/29/25/37/638292537.db2.gz VZDUDBPXOOKXMI-BXUZGUMPSA-N -1 3 267.328 3.027 20 0 CGADHM O=C(C[C@@H](c1ccc(O)cc1)C1CC1)[N-]OCC1CCC1 ZINC000856344036 638345791 /nfs/dbraw/zinc/34/57/91/638345791.db2.gz HNPPDPKVFXGNME-MRXNPFEDSA-N -1 3 289.375 3.124 20 0 CGADHM O=C(CCc1cc(Cl)cs1)[N-]OCC1CCC1 ZINC000856349375 638349884 /nfs/dbraw/zinc/34/98/84/638349884.db2.gz MHZNMWDJEUPILF-UHFFFAOYSA-N -1 3 273.785 3.182 20 0 CGADHM CC1(c2ccccc2)CN(Cc2c(F)ccc([O-])c2F)C1 ZINC000857058313 638445347 /nfs/dbraw/zinc/44/53/47/638445347.db2.gz LFPYTFZWABFEJX-UHFFFAOYSA-N -1 3 289.325 3.444 20 0 CGADHM CC1(C)CC[C@H]1NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000857258412 638484707 /nfs/dbraw/zinc/48/47/07/638484707.db2.gz VAEPGMOFXQSOQK-LLVKDONJSA-N -1 3 287.281 3.329 20 0 CGADHM CCc1ccc([O-])c(C(=O)N(CC(F)F)C2CCC2)c1 ZINC000925254196 638485819 /nfs/dbraw/zinc/48/58/19/638485819.db2.gz MSFPYWSOZGZOBE-UHFFFAOYSA-N -1 3 283.318 3.214 20 0 CGADHM O=C(CC1CCC(F)(F)CC1)[N-]OCc1ccccc1 ZINC000858168296 638648474 /nfs/dbraw/zinc/64/84/74/638648474.db2.gz JABWLFGMPOWGQJ-UHFFFAOYSA-N -1 3 283.318 3.450 20 0 CGADHM C[C@H](Nc1cnn2c1CCCC2)c1cc([O-])cc(F)c1 ZINC000926783898 638811352 /nfs/dbraw/zinc/81/13/52/638811352.db2.gz KFKBECNBFMKBRM-JTQLQIEISA-N -1 3 275.327 3.237 20 0 CGADHM Cc1nccnc1[C@@H](C)N[C@H](C)c1cc([O-])cc(F)c1 ZINC000926838583 638816600 /nfs/dbraw/zinc/81/66/00/638816600.db2.gz SXRXRXBCJAMUPY-MWLCHTKSSA-N -1 3 275.327 3.042 20 0 CGADHM Cc1noc(C(C)C)c1[N-]C(=O)c1cc(C)cnc1F ZINC000928781859 638891284 /nfs/dbraw/zinc/89/12/84/638891284.db2.gz YOHUJVAFUNMMEL-UHFFFAOYSA-N -1 3 277.299 3.201 20 0 CGADHM Cc1noc(C(C)C)c1[N-]C(=O)c1nn(C)c(C)c1Cl ZINC000928783217 638891752 /nfs/dbraw/zinc/89/17/52/638891752.db2.gz YQBZKTVPGUFQBL-UHFFFAOYSA-N -1 3 296.758 3.054 20 0 CGADHM CCC[C@H](C)CCCOC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000859501327 639151412 /nfs/dbraw/zinc/15/14/12/639151412.db2.gz LLLVBVMHGWFQHH-NSHDSACASA-N -1 3 294.395 3.101 20 0 CGADHM CSCCCCCCC(=O)[N-]OC1CCCC1 ZINC000860602661 639382199 /nfs/dbraw/zinc/38/21/99/639382199.db2.gz UBJIUFNZDQOQQS-UHFFFAOYSA-N -1 3 259.415 3.290 20 0 CGADHM CC1=C(C)C[C@@](C)(C(=O)[N-]OCc2cccnc2)CC1 ZINC000935015733 639730986 /nfs/dbraw/zinc/73/09/86/639730986.db2.gz BMZGYEWTBKUQTG-INIZCTEOSA-N -1 3 274.364 3.156 20 0 CGADHM O=C(C[C@H]1CC[C@@H](C2CC2)O1)Nc1ccc(Cl)cc1[O-] ZINC000935098890 639747586 /nfs/dbraw/zinc/74/75/86/639747586.db2.gz DGQGYBTWFUEMRD-RISCZKNCSA-N -1 3 295.766 3.332 20 0 CGADHM CCCCCC[C@@H](C)CC(=O)[N-]OC[C@@H]1CCOC1 ZINC000189258466 640180366 /nfs/dbraw/zinc/18/03/66/640180366.db2.gz BNDSMQPHUNWCKX-ZIAGYGMSSA-N -1 3 271.401 3.067 20 0 CGADHM CCC1=C(C(=O)Nc2cc(Cl)ccc2[O-])CCCO1 ZINC000189658793 640203892 /nfs/dbraw/zinc/20/38/92/640203892.db2.gz LULMTNWUMRSMKP-UHFFFAOYSA-N -1 3 281.739 3.459 20 0 CGADHM Cc1cc(C(=O)/C=C/c2ccc(O)cc2)ccc1[O-] ZINC000077166057 640226798 /nfs/dbraw/zinc/22/67/98/640226798.db2.gz OPGSNMRUTPMCGC-XBXARRHUSA-N -1 3 254.285 3.302 20 0 CGADHM CCOCCN(CC)Cc1c([O-])ccc(Cl)c1F ZINC000191278332 640300524 /nfs/dbraw/zinc/30/05/24/640300524.db2.gz CGEKWVBEXPFUSM-UHFFFAOYSA-N -1 3 275.751 3.043 20 0 CGADHM CSc1cc(O)ccc1NC(=O)c1cc(C)ccc1[O-] ZINC000191560991 640319577 /nfs/dbraw/zinc/31/95/77/640319577.db2.gz BTTCUEKQOGDTHM-UHFFFAOYSA-N -1 3 289.356 3.380 20 0 CGADHM [O-]C(=NO[C@H]1CCCCO1)Nc1cccc2ccccc21 ZINC000195236576 640575376 /nfs/dbraw/zinc/57/53/76/640575376.db2.gz GPWAMDLSKGMKMX-HNNXBMFYSA-N -1 3 286.331 3.420 20 0 CGADHM O=C([N-]O[C@H]1CCCCO1)Nc1cccc2ccccc21 ZINC000195236576 640575382 /nfs/dbraw/zinc/57/53/82/640575382.db2.gz GPWAMDLSKGMKMX-HNNXBMFYSA-N -1 3 286.331 3.420 20 0 CGADHM COc1cccc([C@@H](C)CC(=O)[N-]OCc2ccccc2)c1 ZINC000084578899 640609236 /nfs/dbraw/zinc/60/92/36/640609236.db2.gz XJGDARTWWVIBJG-AWEZNQCLSA-N -1 3 299.370 3.437 20 0 CGADHM CCO[N-]C(=O)CCCOc1ccc(C(C)(C)C)cc1 ZINC000302892173 640820207 /nfs/dbraw/zinc/82/02/07/640820207.db2.gz IFATWMVRIMAXCB-UHFFFAOYSA-N -1 3 279.380 3.211 20 0 CGADHM O=c1[nH]cccc1-c1nc2cc(F)c(Cl)c(F)c2[n-]1 ZINC001250524723 805675615 /nfs/dbraw/zinc/67/56/15/805675615.db2.gz YEWKVRLIDRLRTF-UHFFFAOYSA-N -1 3 281.649 3.262 20 0 CGADHM O=c1[nH]cccc1-c1nc2c(cc(F)c(Cl)c2F)[n-]1 ZINC001250524723 805675619 /nfs/dbraw/zinc/67/56/19/805675619.db2.gz YEWKVRLIDRLRTF-UHFFFAOYSA-N -1 3 281.649 3.262 20 0 CGADHM COc1cccc(C(=O)Nc2ccc(C(C)C)nc2)c1[O-] ZINC001156365662 805677465 /nfs/dbraw/zinc/67/74/65/805677465.db2.gz XEKMWODCQYULHA-UHFFFAOYSA-N -1 3 286.331 3.172 20 0 CGADHM CCOC(=O)c1nc2cc(C)c(C(F)(F)F)cc2[n-]1 ZINC001250550015 805688029 /nfs/dbraw/zinc/68/80/29/805688029.db2.gz MAMIYTSWBQNPQC-UHFFFAOYSA-N -1 3 272.226 3.067 20 0 CGADHM CSc1ccc([O-])c(C(=O)NN2[C@@H](C)CCC[C@@H]2C)c1 ZINC001157468896 805817939 /nfs/dbraw/zinc/81/79/39/805817939.db2.gz SCUAHBPJRNRIDP-QWRGUYRKSA-N -1 3 294.420 3.022 20 0 CGADHM [O-]c1cccc2sc(NC[C@@H](O)c3ccccc3)nc21 ZINC001251978208 805960495 /nfs/dbraw/zinc/96/04/95/805960495.db2.gz OSWGKGRZUQPEDL-GFCCVEGCSA-N -1 3 286.356 3.147 20 0 CGADHM [O-]c1cccnc1CNc1cc(Cl)cc(Cl)n1 ZINC001158771137 806001040 /nfs/dbraw/zinc/00/10/40/806001040.db2.gz UWPIVPTUFCKZTO-UHFFFAOYSA-N -1 3 270.119 3.101 20 0 CGADHM Cc1nc(Cl)cc(NCc2ncccc2[O-])c1C ZINC001158774241 806001503 /nfs/dbraw/zinc/00/15/03/806001503.db2.gz HPYGRILKYDVAPQ-UHFFFAOYSA-N -1 3 263.728 3.065 20 0 CGADHM CC(C)S(=O)(=O)[N-]c1ccccc1OC1CCCC1 ZINC001252513726 806052560 /nfs/dbraw/zinc/05/25/60/806052560.db2.gz LQBMBVXQZNCPEP-UHFFFAOYSA-N -1 3 283.393 3.158 20 0 CGADHM Cc1ccc(C)c([N-]S(=O)(=O)/C=C/c2ccccc2)n1 ZINC001252963942 806140957 /nfs/dbraw/zinc/14/09/57/806140957.db2.gz QXRJSUOXXAWXDD-ZHACJKMWSA-N -1 3 288.372 3.111 20 0 CGADHM COc1cccc(-c2nnc(-c3cc(OC)ccc3[O-])o2)c1 ZINC001253259492 806198887 /nfs/dbraw/zinc/19/88/87/806198887.db2.gz CKGNBEVBHBNXBX-UHFFFAOYSA-N -1 3 298.298 3.126 20 0 CGADHM CCCCC[C@H](O)CNc1nc2c(cccc2[O-])s1 ZINC001253522035 806234044 /nfs/dbraw/zinc/23/40/44/806234044.db2.gz JXFNVMJRMNYNJI-JTQLQIEISA-N -1 3 280.393 3.355 20 0 CGADHM O=c1[n-]c(-c2nnc(-c3cccc(Cl)c3)o2)ccc1F ZINC001253794153 806311686 /nfs/dbraw/zinc/31/16/86/806311686.db2.gz FEFWBNBMZDUWTN-UHFFFAOYSA-N -1 3 291.669 3.297 20 0 CGADHM Brc1ccc2c(c1)C[C@@H](NC1=CC=C[CH]1)C2 ZINC001254273847 806378845 /nfs/dbraw/zinc/37/88/45/806378845.db2.gz QZBQMMWNCLFEPQ-AWEZNQCLSA-N -1 3 275.169 3.164 20 0 CGADHM CC(C)(C)[C@H]1CCC[C@H]1NC(=O)c1ccc(O)cc1[O-] ZINC001161554585 806388380 /nfs/dbraw/zinc/38/83/80/806388380.db2.gz SJPMXVWAXVCWPF-QWHCGFSZSA-N -1 3 277.364 3.042 20 0 CGADHM C[C@H](NC(=O)c1ccc(O)cc1[O-])[C@H]1CCC[C@@H](C)C1 ZINC001161933705 806485706 /nfs/dbraw/zinc/48/57/06/806485706.db2.gz QRWROPCBPJHWMS-WOPDTQHZSA-N -1 3 277.364 3.042 20 0 CGADHM CSc1cc(F)ccc1[N-]C(=O)c1ccns1 ZINC001162984960 806690537 /nfs/dbraw/zinc/69/05/37/806690537.db2.gz VWAVGCAOAGVRNA-UHFFFAOYSA-N -1 3 268.338 3.256 20 0 CGADHM CCCCCCOC(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000038393624 798887257 /nfs/dbraw/zinc/88/72/57/798887257.db2.gz ZLUGESOGDIWBKF-UHFFFAOYSA-N -1 3 282.336 3.147 20 0 CGADHM C[C@H]1CC[C@H](CC(=O)[N-]OCc2ccc(F)cc2)C1 ZINC000184223425 799115913 /nfs/dbraw/zinc/11/59/13/799115913.db2.gz STFICYLKLHVFSA-AAEUAGOBSA-N -1 3 265.328 3.200 20 0 CGADHM COc1ccccc1[C@@H](C)NCc1ccc(C(=O)[O-])s1 ZINC000234885949 799143054 /nfs/dbraw/zinc/14/30/54/799143054.db2.gz BWOQNFNTRUAZHN-SNVBAGLBSA-N -1 3 291.372 3.306 20 0 CGADHM COc1ccccc1[C@H](C)NCc1ccc(C(=O)[O-])s1 ZINC000234900787 799143323 /nfs/dbraw/zinc/14/33/23/799143323.db2.gz BWOQNFNTRUAZHN-JTQLQIEISA-N -1 3 291.372 3.306 20 0 CGADHM FC(F)(F)c1c[n-]c(=NC[C@@H]2CC2(Cl)Cl)s1 ZINC000381487627 799379408 /nfs/dbraw/zinc/37/94/08/799379408.db2.gz KCAONFFNSWQIPE-BYPYZUCNSA-N -1 3 291.125 3.190 20 0 CGADHM CC[C@H](NC(=O)c1ccc(C)cc1[O-])C1CCCC1 ZINC000382854633 799398056 /nfs/dbraw/zinc/39/80/56/799398056.db2.gz AESHSMOCZDBBEW-AWEZNQCLSA-N -1 3 261.365 3.399 20 0 CGADHM Cc1cccc(-c2noc(-c3cc(O)ccc3[O-])n2)c1C ZINC000405063529 799581004 /nfs/dbraw/zinc/58/10/04/799581004.db2.gz FZMZSHXDXWKYSO-UHFFFAOYSA-N -1 3 282.299 3.432 20 0 CGADHM C[C@H]1CC[C@@H](NC(=O)c2cc([O-])cc(Br)c2)C1 ZINC000700839674 799881402 /nfs/dbraw/zinc/88/14/02/799881402.db2.gz RBJNUBDVNZNBRA-GZMMTYOYSA-N -1 3 298.180 3.073 20 0 CGADHM Cc1ccc(CN(C)Cc2cccs2)cc1C(=O)[O-] ZINC000701820882 799894710 /nfs/dbraw/zinc/89/47/10/799894710.db2.gz RKFSWCTXCOTYRR-UHFFFAOYSA-N -1 3 275.373 3.387 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1CC[C@@H]2CCCC[C@H]2C1 ZINC000706636847 799963907 /nfs/dbraw/zinc/96/39/07/799963907.db2.gz FBMBELXMAWHUGF-KBPBESRZSA-N -1 3 273.376 3.353 20 0 CGADHM CS[C@H]1CC[C@H](N(C)C(=O)c2c(C)cccc2[O-])C1 ZINC000706637587 799964068 /nfs/dbraw/zinc/96/40/68/799964068.db2.gz PGJMFGGNERMUJZ-RYUDHWBXSA-N -1 3 279.405 3.057 20 0 CGADHM Cc1cccc([O-])c1C(=O)NC[C@@H]1CCCC12CC2 ZINC000706636617 799964434 /nfs/dbraw/zinc/96/44/34/799964434.db2.gz FWPDWGVJXBXCOI-LBPRGKRZSA-N -1 3 259.349 3.011 20 0 CGADHM CC(=O)c1cccc(NC(=O)c2c(C)cccc2[O-])c1 ZINC000706656953 799964606 /nfs/dbraw/zinc/96/46/06/799964606.db2.gz PVCSGUKUZWAQBF-UHFFFAOYSA-N -1 3 269.300 3.156 20 0 CGADHM CCCCCc1nnc(-c2cccc(OC)c2[O-])o1 ZINC001256068558 806809627 /nfs/dbraw/zinc/80/96/27/806809627.db2.gz VRFXPJOSTJNPHF-UHFFFAOYSA-N -1 3 262.309 3.184 20 0 CGADHM O=C([N-]c1ccnc(Cl)c1F)c1coc(C2CCC2)n1 ZINC000828207529 800481681 /nfs/dbraw/zinc/48/16/81/800481681.db2.gz SFFVLJHNDMQHKB-UHFFFAOYSA-N -1 3 295.701 3.382 20 0 CGADHM CCCCCCc1nnc(-c2ccccc2-c2nnn[n-]2)o1 ZINC001256391840 806880021 /nfs/dbraw/zinc/88/00/21/806880021.db2.gz VZCYIUYGPVPGQW-UHFFFAOYSA-N -1 3 298.350 3.040 20 0 CGADHM CCCCCCc1nnc(-c2ccccc2-c2nn[n-]n2)o1 ZINC001256391840 806880024 /nfs/dbraw/zinc/88/00/24/806880024.db2.gz VZCYIUYGPVPGQW-UHFFFAOYSA-N -1 3 298.350 3.040 20 0 CGADHM CC(C)c1nc(CN[C@@H](C)CCCCC(=O)[O-])cs1 ZINC001116762087 802408117 /nfs/dbraw/zinc/40/81/17/802408117.db2.gz AFXINXRRGCAMKX-NSHDSACASA-N -1 3 284.425 3.390 20 0 CGADHM COC(=O)c1nc2nc(-c3c(C)cc(F)cc3C)ccc2[n-]1 ZINC001243926712 803079112 /nfs/dbraw/zinc/07/91/12/803079112.db2.gz VIZXSBKEJQTOLI-UHFFFAOYSA-N -1 3 299.305 3.119 20 0 CGADHM COC(=O)c1nc2ccc(-c3c(C)cc(F)cc3C)nc2[n-]1 ZINC001243926712 803079116 /nfs/dbraw/zinc/07/91/16/803079116.db2.gz VIZXSBKEJQTOLI-UHFFFAOYSA-N -1 3 299.305 3.119 20 0 CGADHM COC(=O)c1nc2ccc(-c3c(C)cc(F)cc3C)[n-]c-2n1 ZINC001243926712 803079124 /nfs/dbraw/zinc/07/91/24/803079124.db2.gz VIZXSBKEJQTOLI-UHFFFAOYSA-N -1 3 299.305 3.119 20 0 CGADHM Cc1nc2ccc(-c3cc(F)cc(-c4nnn[n-]4)c3)cc2o1 ZINC001243962708 803103623 /nfs/dbraw/zinc/10/36/23/803103623.db2.gz SHISDBUTDJPWTK-UHFFFAOYSA-N -1 3 295.277 3.122 20 0 CGADHM Cc1nc2ccc(-c3cc(F)cc(-c4nn[n-]n4)c3)cc2o1 ZINC001243962708 803103627 /nfs/dbraw/zinc/10/36/27/803103627.db2.gz SHISDBUTDJPWTK-UHFFFAOYSA-N -1 3 295.277 3.122 20 0 CGADHM COc1ccc(-c2ccc(F)c(-c3nnn[n-]3)c2)c(C)c1C ZINC001244003824 803134355 /nfs/dbraw/zinc/13/43/55/803134355.db2.gz YXXLGZMTBLNDIH-UHFFFAOYSA-N -1 3 298.321 3.298 20 0 CGADHM COc1ccc(-c2ccc(F)c(-c3nn[n-]n3)c2)c(C)c1C ZINC001244003824 803134357 /nfs/dbraw/zinc/13/43/57/803134357.db2.gz YXXLGZMTBLNDIH-UHFFFAOYSA-N -1 3 298.321 3.298 20 0 CGADHM COc1nc(SC)ncc1-c1c([O-])cccc1Cl ZINC001244046685 803159324 /nfs/dbraw/zinc/15/93/24/803159324.db2.gz CKPFRDQJUVDONY-UHFFFAOYSA-N -1 3 282.752 3.233 20 0 CGADHM Cc1ncc(C2CC2)cc1-c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001244144012 803207130 /nfs/dbraw/zinc/20/71/30/803207130.db2.gz JVIAQYUCTNZIGI-UHFFFAOYSA-N -1 3 295.321 3.254 20 0 CGADHM Cc1ncc(C2CC2)cc1-c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001244144012 803207135 /nfs/dbraw/zinc/20/71/35/803207135.db2.gz JVIAQYUCTNZIGI-UHFFFAOYSA-N -1 3 295.321 3.254 20 0 CGADHM CN1C(=O)COc2ccc(-c3ccc(Cl)cc3[O-])cc21 ZINC001244469173 803385309 /nfs/dbraw/zinc/38/53/09/803385309.db2.gz DULSRQCQHFGBRK-UHFFFAOYSA-N -1 3 289.718 3.068 20 0 CGADHM [O-]c1cc(Cl)ccc1-c1cccc(-c2nc[nH]n2)c1 ZINC001244471160 803386771 /nfs/dbraw/zinc/38/67/71/803386771.db2.gz FHIBHSYLLWFSST-UHFFFAOYSA-N -1 3 271.707 3.498 20 0 CGADHM O=C1CSc2ncc(-c3ccc(Cl)cc3[O-])cc2N1 ZINC001244471053 803386906 /nfs/dbraw/zinc/38/69/06/803386906.db2.gz BJVJILFLPDXDTG-UHFFFAOYSA-N -1 3 292.747 3.152 20 0 CGADHM O=c1c(-c2ccc(Cl)cc2[O-])cccn1CC1CC1 ZINC001244471629 803387828 /nfs/dbraw/zinc/38/78/28/803387828.db2.gz JGCDQZRMZGBLNC-UHFFFAOYSA-N -1 3 275.735 3.284 20 0 CGADHM Oc1cc(Cl)ccc1-c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001244473687 803388156 /nfs/dbraw/zinc/38/81/56/803388156.db2.gz WUXFSSIVIVQUKT-UHFFFAOYSA-N -1 3 290.685 3.032 20 0 CGADHM Oc1cc(Cl)ccc1-c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001244473687 803388159 /nfs/dbraw/zinc/38/81/59/803388159.db2.gz WUXFSSIVIVQUKT-UHFFFAOYSA-N -1 3 290.685 3.032 20 0 CGADHM [O-]c1cc(Cl)ccc1-c1ccc(-n2ccnc2)nc1 ZINC001244473688 803388920 /nfs/dbraw/zinc/38/89/20/803388920.db2.gz WVPZTMOLBWFULA-UHFFFAOYSA-N -1 3 271.707 3.293 20 0 CGADHM CCN(C)c1cc(C)nc(-c2cc(C)c(F)c([O-])c2)n1 ZINC001244495743 803403695 /nfs/dbraw/zinc/40/36/95/803403695.db2.gz IXLHOIJVIDUNHU-UHFFFAOYSA-N -1 3 275.327 3.061 20 0 CGADHM Cc1cnc(-c2cc(C)c(F)c([O-])c2)nc1NC(C)C ZINC001244496524 803403787 /nfs/dbraw/zinc/40/37/87/803403787.db2.gz SIOJYLWVHIQVJZ-UHFFFAOYSA-N -1 3 275.327 3.425 20 0 CGADHM CCN(CC)c1cc(-c2cc(C)c(F)c([O-])c2)ncn1 ZINC001244506947 803411634 /nfs/dbraw/zinc/41/16/34/803411634.db2.gz JAHWWMKDMKXRRP-UHFFFAOYSA-N -1 3 275.327 3.143 20 0 CGADHM Cc1cc(-c2ncc3ncn(C(C)C)c3n2)cc([O-])c1F ZINC001244509070 803411916 /nfs/dbraw/zinc/41/19/16/803411916.db2.gz ZQMYATGCBLAOSE-UHFFFAOYSA-N -1 3 286.310 3.227 20 0 CGADHM Cc1cc(-c2ccc(-c3ncccn3)cn2)cc([O-])c1F ZINC001244516629 803413365 /nfs/dbraw/zinc/41/33/65/803413365.db2.gz YSAWOUOPTGBKIP-UHFFFAOYSA-N -1 3 281.290 3.359 20 0 CGADHM Cc1cc(-c2ccc3c(c2)ncn3C)cc([O-])c1F ZINC001244517152 803413393 /nfs/dbraw/zinc/41/33/93/803413393.db2.gz JNWUWOLKOXRTJY-UHFFFAOYSA-N -1 3 256.280 3.393 20 0 CGADHM Cc1cc(-c2ccc(N3CCOCC3)cc2)cc([O-])c1F ZINC001244517150 803413670 /nfs/dbraw/zinc/41/36/70/803413670.db2.gz JNAXJFOMLXJCIM-UHFFFAOYSA-N -1 3 287.334 3.343 20 0 CGADHM Cc1cc(-c2ccc3c(ccc(=O)n3C)c2)cc([O-])c1F ZINC001244515780 803413784 /nfs/dbraw/zinc/41/37/84/803413784.db2.gz NLACXRIKXBPGGP-UHFFFAOYSA-N -1 3 283.302 3.359 20 0 CGADHM Cc1cc(-c2ccccc2[S@@](C)=O)cc([O-])c1F ZINC001244515294 803413903 /nfs/dbraw/zinc/41/39/03/803413903.db2.gz JEUIEWPLKDHIGD-GOSISDBHSA-N -1 3 264.321 3.244 20 0 CGADHM Cc1cc(-c2ccc3c(c2)NC(=O)[C@@H](C)O3)cc([O-])c1F ZINC001244516550 803414190 /nfs/dbraw/zinc/41/41/90/803414190.db2.gz XUYDUARMAIERHZ-SECBINFHSA-N -1 3 287.290 3.226 20 0 CGADHM CC(=O)Nc1ccc(-c2cc(C)c(F)c([O-])c2)cc1 ZINC001244515825 803414275 /nfs/dbraw/zinc/41/42/75/803414275.db2.gz OOPFNRBNQATKEX-UHFFFAOYSA-N -1 3 259.280 3.465 20 0 CGADHM Cc1nc2cc(-c3cc(C)c([O-])c(Cl)c3)ccn2n1 ZINC001244548261 803432794 /nfs/dbraw/zinc/43/27/94/803432794.db2.gz ZUWHBJOEECDVPL-UHFFFAOYSA-N -1 3 273.723 3.372 20 0 CGADHM CNc1cc(F)cc(-c2ccc(C)c(-c3nnn[n-]3)c2)c1 ZINC001244831523 803542162 /nfs/dbraw/zinc/54/21/62/803542162.db2.gz JLCIEVKOTQQDGQ-UHFFFAOYSA-N -1 3 283.310 3.023 20 0 CGADHM CNc1cc(F)cc(-c2ccc(C)c(-c3nn[n-]n3)c2)c1 ZINC001244831523 803542165 /nfs/dbraw/zinc/54/21/65/803542165.db2.gz JLCIEVKOTQQDGQ-UHFFFAOYSA-N -1 3 283.310 3.023 20 0 CGADHM CC(C)CNC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001135370613 803590632 /nfs/dbraw/zinc/59/06/32/803590632.db2.gz ZGJSNUCFTNZQIN-UHFFFAOYSA-N -1 3 283.371 3.369 20 0 CGADHM CCCCCNC(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC001135441135 803597482 /nfs/dbraw/zinc/59/74/82/803597482.db2.gz OVKRIDZTKVFTPP-UHFFFAOYSA-N -1 3 292.766 3.102 20 0 CGADHM Cc1cccc(NC(=O)Cc2ccc([O-])c(F)c2)c1C ZINC001136102939 803631301 /nfs/dbraw/zinc/63/13/01/803631301.db2.gz MCBWIUCAAGYGRF-UHFFFAOYSA-N -1 3 273.307 3.329 20 0 CGADHM Cc1cccc([O-])c1C(=O)Nc1ccc2[nH]ccc2c1 ZINC001136142749 803633590 /nfs/dbraw/zinc/63/35/90/803633590.db2.gz NOPRRQMFFUIOLV-UHFFFAOYSA-N -1 3 266.300 3.434 20 0 CGADHM [O-]c1ccc(-c2cc(O[C@@H]3CCOC3)ccn2)c(Cl)c1 ZINC001245084903 803638225 /nfs/dbraw/zinc/63/82/25/803638225.db2.gz YVLYWCLKVVVXDL-GFCCVEGCSA-N -1 3 291.734 3.275 20 0 CGADHM COc1nccc(Nc2ncc(Cl)cc2[O-])c1Cl ZINC001211943568 814958793 /nfs/dbraw/zinc/95/87/93/814958793.db2.gz QODABDYGIQGTOH-UHFFFAOYSA-N -1 3 286.118 3.241 20 0 CGADHM CN(c1ccc([O-])c(F)c1F)c1nc(Cl)ccc1N ZINC001212002762 814964590 /nfs/dbraw/zinc/96/45/90/814964590.db2.gz FDWSJLKRCQNMQN-UHFFFAOYSA-N -1 3 285.681 3.069 20 0 CGADHM Cc1ccc(-c2ccc(N)cc2Cl)cc1-c1nnn[n-]1 ZINC001245509270 803779623 /nfs/dbraw/zinc/77/96/23/803779623.db2.gz FROZCQVODJPBNE-UHFFFAOYSA-N -1 3 285.738 3.078 20 0 CGADHM Cc1ccc(-c2ccc(N)cc2Cl)cc1-c1nn[n-]n1 ZINC001245509270 803779630 /nfs/dbraw/zinc/77/96/30/803779630.db2.gz FROZCQVODJPBNE-UHFFFAOYSA-N -1 3 285.738 3.078 20 0 CGADHM Nc1cc2cn(-c3ccc([O-])c(F)c3F)nc2cc1Cl ZINC001212014050 814967633 /nfs/dbraw/zinc/96/76/33/814967633.db2.gz XAQKYUVXDAOMPZ-UHFFFAOYSA-N -1 3 295.676 3.245 20 0 CGADHM Cc1ccc(-c2cc3cc(F)ccc3[nH]2)cc1-c1nnn[n-]1 ZINC001245575215 803828555 /nfs/dbraw/zinc/82/85/55/803828555.db2.gz BOKDRXOGAOFBDD-UHFFFAOYSA-N -1 3 293.305 3.463 20 0 CGADHM Cc1ccc(-c2cc3cc(F)ccc3[nH]2)cc1-c1nn[n-]n1 ZINC001245575215 803828564 /nfs/dbraw/zinc/82/85/64/803828564.db2.gz BOKDRXOGAOFBDD-UHFFFAOYSA-N -1 3 293.305 3.463 20 0 CGADHM O=C1c2c(cccc2-c2c([O-])cccc2F)CN1C1CC1 ZINC001245653879 803884385 /nfs/dbraw/zinc/88/43/85/803884385.db2.gz GVZIIHYBCHHXQV-UHFFFAOYSA-N -1 3 283.302 3.317 20 0 CGADHM COc1cc2nc[nH]c2cc1-c1c([O-])cccc1F ZINC001245654137 803887264 /nfs/dbraw/zinc/88/72/64/803887264.db2.gz FGMXKBSVSVYPQP-UHFFFAOYSA-N -1 3 258.252 3.083 20 0 CGADHM CC1(C)Cc2ccc(-c3c([O-])cccc3F)cc2C(=O)N1 ZINC001245655362 803888387 /nfs/dbraw/zinc/88/83/87/803888387.db2.gz BEGVMAHCINPCCS-UHFFFAOYSA-N -1 3 285.318 3.263 20 0 CGADHM CCOC(=O)c1cnc(C)c(-c2c([O-])cccc2F)c1 ZINC001245657218 803891738 /nfs/dbraw/zinc/89/17/38/803891738.db2.gz XXRIOWTYRPKALN-UHFFFAOYSA-N -1 3 275.279 3.078 20 0 CGADHM COc1c(Cl)ccc(F)c1-c1ccc(=S)[n-]n1 ZINC001245732689 803934112 /nfs/dbraw/zinc/93/41/12/803934112.db2.gz ZAOQIZMZIGRRJA-UHFFFAOYSA-N -1 3 270.716 3.233 20 0 CGADHM CC(C)[C@H]1CCC[C@H](NC(=O)c2ccc(O)cc2[O-])CC1 ZINC001138508162 803956033 /nfs/dbraw/zinc/95/60/33/803956033.db2.gz PUFDLTREILCEPB-STQMWFEESA-N -1 3 291.391 3.433 20 0 CGADHM CCc1cc(-c2ccc(Cc3nnn[n-]3)cc2)ccc1OC ZINC001245790761 803962742 /nfs/dbraw/zinc/96/27/42/803962742.db2.gz CAQSKMHTTCEGSI-UHFFFAOYSA-N -1 3 294.358 3.029 20 0 CGADHM CCc1cc(-c2ccc(Cc3nn[n-]n3)cc2)ccc1OC ZINC001245790761 803962745 /nfs/dbraw/zinc/96/27/45/803962745.db2.gz CAQSKMHTTCEGSI-UHFFFAOYSA-N -1 3 294.358 3.029 20 0 CGADHM CN(C)Cc1ccc(-c2c(F)ccc([O-])c2Cl)nc1 ZINC001245829643 803984800 /nfs/dbraw/zinc/98/48/00/803984800.db2.gz CPGFIDCAPXYFFA-UHFFFAOYSA-N -1 3 280.730 3.308 20 0 CGADHM [O-]c1ccc(CN2CCC3(CC(F)C3)CC2)c(F)c1F ZINC001140888062 804541205 /nfs/dbraw/zinc/54/12/05/804541205.db2.gz MMUASDZUFQTXCM-UHFFFAOYSA-N -1 3 285.309 3.385 20 0 CGADHM C[C@@H]1CCC[C@H](C)N1Cc1ccc([O-])c(F)c1F ZINC001140889673 804542098 /nfs/dbraw/zinc/54/20/98/804542098.db2.gz JLEFLVIUJJSXNX-AOOOYVTPSA-N -1 3 255.308 3.433 20 0 CGADHM [O-]c1ccc(CN2C[C@@H]3CC(F)(F)C[C@@H]3C2)c(F)c1F ZINC001140888835 804542334 /nfs/dbraw/zinc/54/23/34/804542334.db2.gz XVPXJDGTHDMZNL-AOOOYVTPSA-N -1 3 289.272 3.148 20 0 CGADHM Cc1ccc(C(=O)NCC(F)(F)c2ccccc2)c([O-])c1 ZINC001141686911 804664105 /nfs/dbraw/zinc/66/41/05/804664105.db2.gz FRHLSZBFFBHSQE-UHFFFAOYSA-N -1 3 291.297 3.222 20 0 CGADHM CC(C)(C)O[C@@H]1C[C@H](NC(=O)c2ccccc2[O-])C1(C)C ZINC001142065876 804692465 /nfs/dbraw/zinc/69/24/65/804692465.db2.gz NKNNKAZDJHRMRM-UONOGXRCSA-N -1 3 291.391 3.104 20 0 CGADHM [O-]c1cc(Cl)c(CN2C[C@H]3CC[C@@H]2CO3)c(Cl)c1 ZINC001142122027 804695981 /nfs/dbraw/zinc/69/59/81/804695981.db2.gz GDYYXIVMUPYWQG-PSASIEDQSA-N -1 3 288.174 3.062 20 0 CGADHM [O-]c1c(F)cc(F)cc1Nc1cc(-c2ccccn2)no1 ZINC001212479603 815035412 /nfs/dbraw/zinc/03/54/12/815035412.db2.gz HXFOYAFGNDKVSJ-UHFFFAOYSA-N -1 3 289.241 3.464 20 0 CGADHM C[C@@H]1CCCCN1Cc1ccc(Cl)cc1C(=O)[O-] ZINC001142643369 804746685 /nfs/dbraw/zinc/74/66/85/804746685.db2.gz RGUPYEOZNMTZTK-SNVBAGLBSA-N -1 3 267.756 3.413 20 0 CGADHM CSC1CCN(Cc2ccc(Cl)cc2C(=O)[O-])CC1 ZINC001142660041 804750057 /nfs/dbraw/zinc/75/00/57/804750057.db2.gz BYPDAPGASSMXRG-UHFFFAOYSA-N -1 3 299.823 3.366 20 0 CGADHM [O-]c1c(F)cc(F)cc1Nc1cn(CC2CC2)cn1 ZINC001212481851 815036486 /nfs/dbraw/zinc/03/64/86/815036486.db2.gz MKGZYJLGQXXAAH-UHFFFAOYSA-N -1 3 265.263 3.021 20 0 CGADHM Cc1cc(Cl)nc(Cl)c1C(=O)Nc1cncc([O-])c1 ZINC001147892644 805155925 /nfs/dbraw/zinc/15/59/25/805155925.db2.gz VZQDEQVUUNASPR-UHFFFAOYSA-N -1 3 298.129 3.050 20 0 CGADHM CCc1ccccc1C(=O)Nc1c([O-])cccc1C(C)=O ZINC001148411628 805180820 /nfs/dbraw/zinc/18/08/20/805180820.db2.gz OVKNCZNHVFOCRK-UHFFFAOYSA-N -1 3 283.327 3.410 20 0 CGADHM Cc1cccc2c1CCC[C@H]2NC(=O)c1ccc(O)cc1[O-] ZINC001148775931 805209566 /nfs/dbraw/zinc/20/95/66/805209566.db2.gz MKEFINZGDWWCOI-MRXNPFEDSA-N -1 3 297.354 3.214 20 0 CGADHM Cc1ccc2[nH]c(Nc3cnc(C)[n-]c3=O)cc2c1 ZINC001249843943 805259468 /nfs/dbraw/zinc/25/94/68/805259468.db2.gz CAIRSOCMKJWISZ-UHFFFAOYSA-N -1 3 254.293 3.024 20 0 CGADHM O=C(Nc1ncccc1[O-])c1cc2ccccc2nc1Cl ZINC001152399293 805347486 /nfs/dbraw/zinc/34/74/86/805347486.db2.gz COAOWLVPYSQMJZ-UHFFFAOYSA-N -1 3 299.717 3.241 20 0 CGADHM [O-]c1ccc(-c2nc(-c3ccc4cnccc4c3)no2)nc1 ZINC001212558100 815068264 /nfs/dbraw/zinc/06/82/64/815068264.db2.gz RPLQZIFWWOCJAM-UHFFFAOYSA-N -1 3 290.282 3.052 20 0 CGADHM C[C@@H](NC(=O)c1ccccc1[O-])c1cc2cnccc2o1 ZINC001152893856 805372851 /nfs/dbraw/zinc/37/28/51/805372851.db2.gz CCYHBOTXSCYBMO-SNVBAGLBSA-N -1 3 282.299 3.024 20 0 CGADHM Cc1cc(N)c2ccnc-2n1-c1cc(Cl)c([O-])cc1F ZINC001250023067 805374085 /nfs/dbraw/zinc/37/40/85/805374085.db2.gz BCUFRDOKGGNAEN-UHFFFAOYSA-N -1 3 291.713 3.366 20 0 CGADHM [O-]c1cc(F)c(Nc2ncc(F)cc2O)cc1Cl ZINC001250023504 805375960 /nfs/dbraw/zinc/37/59/60/805375960.db2.gz MCROVIVUBJYTRC-UHFFFAOYSA-N -1 3 272.638 3.168 20 0 CGADHM COC(=O)c1ccc(Cc2cc(F)cc(F)c2[O-])cc1 ZINC001250126908 805430867 /nfs/dbraw/zinc/43/08/67/805430867.db2.gz GQDBOIDLLNFPIR-UHFFFAOYSA-N -1 3 278.254 3.048 20 0 CGADHM COC(=O)c1ccc(Cc2cccc([O-])c2Cl)cc1 ZINC001250127369 805431529 /nfs/dbraw/zinc/43/15/29/805431529.db2.gz MTMGHBMDQXNSSZ-UHFFFAOYSA-N -1 3 276.719 3.423 20 0 CGADHM O=C([O-])c1cc(CCN2CCCC2)c(Cl)cc1Cl ZINC001250168147 805456517 /nfs/dbraw/zinc/45/65/17/805456517.db2.gz NYQIEJUQXKLQSC-UHFFFAOYSA-N -1 3 288.174 3.330 20 0 CGADHM [O-]c1cc(F)c(C[C@H]2COc3ccccc3O2)c(F)c1 ZINC001250173617 805459775 /nfs/dbraw/zinc/45/97/75/805459775.db2.gz JBPPQDPIUBUOJS-JTQLQIEISA-N -1 3 278.254 3.053 20 0 CGADHM Cc1cccc([O-])c1C(=O)Nc1cccc(C(C)(C)O)c1 ZINC001154603751 805465807 /nfs/dbraw/zinc/46/58/07/805465807.db2.gz IACFTGXQCRDSSI-UHFFFAOYSA-N -1 3 285.343 3.180 20 0 CGADHM COc1ncc(Nc2ccc(Cl)c([O-])c2)cc1F ZINC001212589346 815078243 /nfs/dbraw/zinc/07/82/43/815078243.db2.gz GVYPXNMCHCDTJZ-UHFFFAOYSA-N -1 3 268.675 3.332 20 0 CGADHM CN(C)c1cccnc1Nc1ccc(Cl)c([O-])c1 ZINC001212591345 815079384 /nfs/dbraw/zinc/07/93/84/815079384.db2.gz HKUBORUKWBVZHW-UHFFFAOYSA-N -1 3 263.728 3.250 20 0 CGADHM O=C1Cc2cc(Nc3ccc(Cl)c([O-])c3)ccc2N1 ZINC001212592409 815079538 /nfs/dbraw/zinc/07/95/38/815079538.db2.gz ODKXRUVSFMXJCC-UHFFFAOYSA-N -1 3 274.707 3.284 20 0 CGADHM NC(=O)c1ccc(F)c(Nc2ccc(Cl)c([O-])c2)c1 ZINC001212592999 815080321 /nfs/dbraw/zinc/08/03/21/815080321.db2.gz ASLHHDJEBUBTAV-UHFFFAOYSA-N -1 3 280.686 3.027 20 0 CGADHM CNC(=O)c1cc(Nc2ccc(Cl)c([O-])c2)ccc1F ZINC001212593542 815080940 /nfs/dbraw/zinc/08/09/40/815080940.db2.gz WUMZHTVDKJEXDK-UHFFFAOYSA-N -1 3 294.713 3.288 20 0 CGADHM Cc1ccc([C@@H]2C[C@H]2c2nnc(-c3cncc([O-])c3)o2)cc1 ZINC001257290600 807087505 /nfs/dbraw/zinc/08/75/05/807087505.db2.gz YUHGMSSAXCDQTM-LSDHHAIUSA-N -1 3 293.326 3.417 20 0 CGADHM CC[C@@H](C)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC001257661640 807206500 /nfs/dbraw/zinc/20/65/00/807206500.db2.gz OTPRSNVDNOQXRQ-MRVPVSSYSA-N -1 3 296.219 3.318 20 0 CGADHM [O-]c1cncc(-c2nc(-c3cccc4cccnc43)no2)c1 ZINC001212708238 815109515 /nfs/dbraw/zinc/10/95/15/815109515.db2.gz BIWFOAWGVQSEKQ-UHFFFAOYSA-N -1 3 290.282 3.052 20 0 CGADHM CC(C)Oc1cccc(-c2noc(-c3cncc([O-])c3)n2)c1 ZINC001212708486 815109994 /nfs/dbraw/zinc/10/99/94/815109994.db2.gz KFLIXPBTTSUNOV-UHFFFAOYSA-N -1 3 297.314 3.291 20 0 CGADHM CC[C@@H](C)C[C@@H](C)Nc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001168691197 807482562 /nfs/dbraw/zinc/48/25/62/807482562.db2.gz DAXLDVSQFCPVLA-NXEZZACHSA-N -1 3 277.347 3.242 20 0 CGADHM CC[C@@H](C)C[C@@H](C)Nc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001168691197 807482569 /nfs/dbraw/zinc/48/25/69/807482569.db2.gz DAXLDVSQFCPVLA-NXEZZACHSA-N -1 3 277.347 3.242 20 0 CGADHM Cc1ccc([C@@H](C)Nc2ccc(C)c(-c3nnn[n-]3)c2)nc1 ZINC001168860187 807531673 /nfs/dbraw/zinc/53/16/73/807531673.db2.gz ITLSQHUNWYKEER-GFCCVEGCSA-N -1 3 294.362 3.052 20 0 CGADHM Cc1ccc([C@@H](C)Nc2ccc(C)c(-c3nn[n-]n3)c2)nc1 ZINC001168860187 807531678 /nfs/dbraw/zinc/53/16/78/807531678.db2.gz ITLSQHUNWYKEER-GFCCVEGCSA-N -1 3 294.362 3.052 20 0 CGADHM C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)C(C)(C)C ZINC001259471186 807678920 /nfs/dbraw/zinc/67/89/20/807678920.db2.gz HYMOSZDIQFAEAY-MRVPVSSYSA-N -1 3 293.791 3.192 20 0 CGADHM Cc1c(Cl)nc(C2CC2)nc1NCc1ncccc1[O-] ZINC001169731305 807700182 /nfs/dbraw/zinc/70/01/82/807700182.db2.gz NGVFQSFVRCACIH-UHFFFAOYSA-N -1 3 290.754 3.029 20 0 CGADHM Cc1cc(Cl)nc(C)c1NCc1ncccc1[O-] ZINC001169733518 807701487 /nfs/dbraw/zinc/70/14/87/807701487.db2.gz XOCGZEUCFPIBCS-UHFFFAOYSA-N -1 3 263.728 3.065 20 0 CGADHM CC1(C)COc2ccc(NCc3ncccc3[O-])cc21 ZINC001169733732 807701505 /nfs/dbraw/zinc/70/15/05/807701505.db2.gz YIHVFENWCZVLOG-UHFFFAOYSA-N -1 3 270.332 3.069 20 0 CGADHM Cc1c(F)nccc1Nc1ncc(Br)cc1[O-] ZINC001212838839 815151011 /nfs/dbraw/zinc/15/10/11/815151011.db2.gz HIERDNXMBIGPTN-UHFFFAOYSA-N -1 3 298.115 3.136 20 0 CGADHM CCc1ccc(C(=O)Nc2cnoc2C(C)C)c([O-])c1 ZINC001262638843 807883653 /nfs/dbraw/zinc/88/36/53/807883653.db2.gz KTSUUBGJNXPTGY-UHFFFAOYSA-N -1 3 274.320 3.318 20 0 CGADHM Cc1cnc([N-]C(=O)c2oc(C3CC3)nc2C(F)F)o1 ZINC001263854347 808014007 /nfs/dbraw/zinc/01/40/07/808014007.db2.gz APZPYVBAFLJKAD-UHFFFAOYSA-N -1 3 283.234 3.038 20 0 CGADHM O=C([N-]c1cnoc1)c1cc2ccnc(Cl)c2s1 ZINC001264914366 808100847 /nfs/dbraw/zinc/10/08/47/808100847.db2.gz JMBDJXZGFJHXHS-UHFFFAOYSA-N -1 3 279.708 3.190 20 0 CGADHM COCOc1cccc([N-]c2nnc(C(C)(C)C)o2)c1 ZINC001212894953 815179102 /nfs/dbraw/zinc/17/91/02/815179102.db2.gz DDDYBCBYLYHWHS-UHFFFAOYSA-N -1 3 277.324 3.093 20 0 CGADHM Cc1nsc([N-]C(=O)c2ccsc2C(F)(F)F)n1 ZINC001265552365 808153022 /nfs/dbraw/zinc/15/30/22/808153022.db2.gz HPOLCOJLWZKCAB-UHFFFAOYSA-N -1 3 293.295 3.179 20 0 CGADHM Cc1nc2cc([N-]c3nnc(C(C)(C)C)o3)ccc2[nH]1 ZINC001213070411 815219040 /nfs/dbraw/zinc/21/90/40/815219040.db2.gz OXWXZALPLKDXLX-UHFFFAOYSA-N -1 3 271.324 3.295 20 0 CGADHM O=c1cc(Nc2cccc(C(F)(F)F)c2)[nH]c(=S)[n-]1 ZINC001173823072 808690166 /nfs/dbraw/zinc/69/01/66/808690166.db2.gz QOMUSGQJGDGYID-UHFFFAOYSA-N -1 3 287.266 3.233 20 0 CGADHM [O-]c1cccc(Nc2cccnc2)c1Br ZINC001173857682 808717754 /nfs/dbraw/zinc/71/77/54/808717754.db2.gz PRXWDOCPPSYVCS-UHFFFAOYSA-N -1 3 265.110 3.293 20 0 CGADHM CC(=O)c1cccc(Nc2cccc(C(=O)N(C)C)c2[O-])c1 ZINC001173902794 808753620 /nfs/dbraw/zinc/75/36/20/808753620.db2.gz QYNITDKDKQVETL-UHFFFAOYSA-N -1 3 298.342 3.040 20 0 CGADHM O=c1cc(Nc2ccc(F)cc2F)nc(C2CC2)[n-]1 ZINC001173925505 808764982 /nfs/dbraw/zinc/76/49/82/808764982.db2.gz VIYCWTTZDJQVII-UHFFFAOYSA-N -1 3 263.247 3.081 20 0 CGADHM Cc1ccc(F)c(Nc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC001174110579 808871385 /nfs/dbraw/zinc/87/13/85/808871385.db2.gz HMENXRRFWXVYPX-UHFFFAOYSA-N -1 3 259.284 3.251 20 0 CGADHM [O-]c1cc(F)cnc1Nc1ccc2ncsc2c1 ZINC001174365354 808977383 /nfs/dbraw/zinc/97/73/83/808977383.db2.gz YALUZJLYWWEHAG-UHFFFAOYSA-N -1 3 261.281 3.280 20 0 CGADHM Cn1cc(-c2ccc(Nc3ncc(F)cc3[O-])cc2)cn1 ZINC001174377679 808984213 /nfs/dbraw/zinc/98/42/13/808984213.db2.gz BUNKNJXJAMVVOZ-UHFFFAOYSA-N -1 3 284.294 3.070 20 0 CGADHM O=c1cc(Nc2ccnc3[nH]ccc32)[n-]n1-c1ccccc1 ZINC001174410168 809003183 /nfs/dbraw/zinc/00/31/83/809003183.db2.gz MQCQBAIHQZNHPC-UHFFFAOYSA-N -1 3 291.314 3.149 20 0 CGADHM CC(C)c1nnc([N-]c2cccc(-c3cc[nH]n3)c2)o1 ZINC001174506269 809051917 /nfs/dbraw/zinc/05/19/17/809051917.db2.gz IWEDGCYWTUWAOK-UHFFFAOYSA-N -1 3 269.308 3.327 20 0 CGADHM CC(C)(O)c1cncc(Nc2cccc(Cl)c2[O-])c1 ZINC001174591785 809095030 /nfs/dbraw/zinc/09/50/30/809095030.db2.gz BDYVPIJMIMMROD-UHFFFAOYSA-N -1 3 278.739 3.412 20 0 CGADHM COc1cc(Nc2ccnc(C3CC3)c2)ccc1C(=O)[O-] ZINC001174682959 809129052 /nfs/dbraw/zinc/12/90/52/809129052.db2.gz JEIZVGNKPLPDHK-UHFFFAOYSA-N -1 3 284.315 3.409 20 0 CGADHM O=c1cc(Nc2ccc3c(c2)CCCO3)nc(C2CC2)[n-]1 ZINC001174719492 809141997 /nfs/dbraw/zinc/14/19/97/809141997.db2.gz QDXDDSAFXRUGFR-UHFFFAOYSA-N -1 3 283.331 3.128 20 0 CGADHM O=S(=O)([N-][C@@H]1CCCC12CC2)c1ccc(Cl)s1 ZINC001213325023 815265554 /nfs/dbraw/zinc/26/55/54/815265554.db2.gz UZYSQIGRJLUDSG-MRVPVSSYSA-N -1 3 291.825 3.013 20 0 CGADHM Cc1ccc(Nc2ccc(-n3ccc(=O)[n-]3)cc2)cc1N ZINC001174937851 809207825 /nfs/dbraw/zinc/20/78/25/809207825.db2.gz GQPZBCNPGXEOHD-UHFFFAOYSA-N -1 3 280.331 3.212 20 0 CGADHM CCCCOc1ccccc1Nc1cnc[n-]c1=O ZINC001175000109 809234201 /nfs/dbraw/zinc/23/42/01/809234201.db2.gz KMYLSAKGSZKVPP-UHFFFAOYSA-N -1 3 259.309 3.105 20 0 CGADHM [O-]c1c(F)cc(Nc2nc(F)ccc2F)cc1F ZINC001213377256 815273229 /nfs/dbraw/zinc/27/32/29/815273229.db2.gz FUFVZXGKRDIQEN-UHFFFAOYSA-N -1 3 258.174 3.087 20 0 CGADHM O=c1[nH]cnc2ccc(Nc3cc(F)c([O-])c(F)c3)cc12 ZINC001213382036 815274280 /nfs/dbraw/zinc/27/42/80/815274280.db2.gz WNABPGBLRWXDTK-UHFFFAOYSA-N -1 3 289.241 3.063 20 0 CGADHM [O-]c1cc(F)c(Nc2cccc3c2OCC[C@@H]3O)c(F)c1 ZINC001175100231 809270704 /nfs/dbraw/zinc/27/07/04/809270704.db2.gz XVAVXLNBOZTCSJ-ZDUSSCGKSA-N -1 3 293.269 3.230 20 0 CGADHM [O-]c1cc(F)c(Nc2cc(O)c(F)cc2F)c(F)c1 ZINC001175100256 809271032 /nfs/dbraw/zinc/27/10/32/809271032.db2.gz ONKHTLITFVORDM-UHFFFAOYSA-N -1 3 273.185 3.398 20 0 CGADHM [O-]c1ccc(F)c(Nc2ccc(Cl)cn2)c1F ZINC001175261235 809328356 /nfs/dbraw/zinc/32/83/56/809328356.db2.gz HPGUDCGTHQXAGM-UHFFFAOYSA-N -1 3 256.639 3.462 20 0 CGADHM [O-]c1ccc(F)c(Nc2nccc3cnccc32)c1F ZINC001175264622 809329091 /nfs/dbraw/zinc/32/90/91/809329091.db2.gz ZEJFOFWXORRITC-UHFFFAOYSA-N -1 3 273.242 3.357 20 0 CGADHM CCc1nc2ccc(Nc3c(F)ccc([O-])c3F)cn2n1 ZINC001175264781 809330264 /nfs/dbraw/zinc/33/02/64/809330264.db2.gz HCBHMIPEXZYBTJ-UHFFFAOYSA-N -1 3 290.273 3.019 20 0 CGADHM [O-]c1ccc(F)c(Nc2cnn3ccccc23)c1F ZINC001175265200 809331003 /nfs/dbraw/zinc/33/10/03/809331003.db2.gz DLJLJAJDVHWRNW-UHFFFAOYSA-N -1 3 261.231 3.062 20 0 CGADHM [O-]c1ccc(F)c(Nc2ccc(OC3COC3)cc2)c1F ZINC001175267625 809331367 /nfs/dbraw/zinc/33/13/67/809331367.db2.gz DARLKGDNEUWYJC-UHFFFAOYSA-N -1 3 293.269 3.192 20 0 CGADHM CCN(c1ccccc1N)c1c(F)ccc([O-])c1F ZINC001175269071 809332350 /nfs/dbraw/zinc/33/23/50/809332350.db2.gz ZXSLXMWROSXUSU-UHFFFAOYSA-N -1 3 264.275 3.411 20 0 CGADHM CN1CCc2ccc(Nc3c(F)ccc([O-])c3F)cc21 ZINC001175270872 809334510 /nfs/dbraw/zinc/33/45/10/809334510.db2.gz MJHILQBHEQGWQW-UHFFFAOYSA-N -1 3 276.286 3.406 20 0 CGADHM c1ccc2c(c1)ccnc2Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175423926 809400089 /nfs/dbraw/zinc/40/00/89/809400089.db2.gz XVPHDDMXZGKLGD-UHFFFAOYSA-N -1 3 288.314 3.159 20 0 CGADHM CC(=O)c1ccc(C)c(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001175430163 809401343 /nfs/dbraw/zinc/40/13/43/809401343.db2.gz HVOWDMVHRSDUQU-UHFFFAOYSA-N -1 3 293.330 3.121 20 0 CGADHM Fc1ccc(Nc2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC001175429637 809401618 /nfs/dbraw/zinc/40/16/18/809401618.db2.gz XWEDWBCPKKLKOU-UHFFFAOYSA-N -1 3 289.701 3.403 20 0 CGADHM Cc1cc(Nc2ccc(-c3nn[n-]n3)cc2)cc(C)c1F ZINC001175430773 809402500 /nfs/dbraw/zinc/40/25/00/809402500.db2.gz XXQIQBRPOUJRQO-UHFFFAOYSA-N -1 3 283.310 3.366 20 0 CGADHM Cn1ncc2c1cccc2Nc1cc([O-])c(F)cc1F ZINC001175437184 809404314 /nfs/dbraw/zinc/40/43/14/809404314.db2.gz RYYSJHZGEKNRCT-UHFFFAOYSA-N -1 3 275.258 3.301 20 0 CGADHM CCOC(=O)c1ccsc1[N-]c1cncs1 ZINC001175495423 809430435 /nfs/dbraw/zinc/43/04/35/809430435.db2.gz GHVTWFGREBQBCM-UHFFFAOYSA-N -1 3 254.336 3.125 20 0 CGADHM Cc1ccc2[nH]ncc2c1[N-]c1noc(C(C)(C)C)n1 ZINC001175525008 809442212 /nfs/dbraw/zinc/44/22/12/809442212.db2.gz FWUPFWBEZFPWBY-UHFFFAOYSA-N -1 3 271.324 3.295 20 0 CGADHM COc1cccc([O-])c1C(=O)N[C@@H]1CCC[C@H](C(C)C)C1 ZINC001293135151 809443716 /nfs/dbraw/zinc/44/37/16/809443716.db2.gz UWKVBMQDUNSHRS-QWHCGFSZSA-N -1 3 291.391 3.345 20 0 CGADHM COc1ccc(Nc2cccc([O-])c2Cl)c(OC)n1 ZINC001175587757 809463890 /nfs/dbraw/zinc/46/38/90/809463890.db2.gz NJKFALSXGYTTKA-UHFFFAOYSA-N -1 3 280.711 3.201 20 0 CGADHM CC[C@@H](CSC)NC(=O)c1ccc(C(C)C)cc1[O-] ZINC001295808385 809493491 /nfs/dbraw/zinc/49/34/91/809493491.db2.gz DZDYACOFUDIOBO-LBPRGKRZSA-N -1 3 281.421 3.387 20 0 CGADHM C[C@@H](C(=O)Nc1ccc(Cl)cc1[O-])c1ccccn1 ZINC001295973206 809496637 /nfs/dbraw/zinc/49/66/37/809496637.db2.gz WOUPNMOZDKMNKV-SECBINFHSA-N -1 3 276.723 3.183 20 0 CGADHM Nc1c(Cl)cccc1C(=O)Nc1cc(F)ccc1[O-] ZINC001295978121 809496683 /nfs/dbraw/zinc/49/66/83/809496683.db2.gz AQRAZMDYLPIDIY-UHFFFAOYSA-N -1 3 280.686 3.019 20 0 CGADHM CCC[C@H](CNC(=O)c1ccc(C(C)C)cc1[O-])OC ZINC001298412824 809531549 /nfs/dbraw/zinc/53/15/49/809531549.db2.gz VZISKNOEMHARNO-CYBMUJFWSA-N -1 3 279.380 3.061 20 0 CGADHM COCCOc1ccc(Nc2ncc(Cl)cc2[O-])cc1 ZINC001175785513 809542553 /nfs/dbraw/zinc/54/25/53/809542553.db2.gz DNBPFPRXZBZQQI-UHFFFAOYSA-N -1 3 294.738 3.209 20 0 CGADHM FC(F)(F)c1csc([N-]c2cscn2)n1 ZINC001175938345 809574854 /nfs/dbraw/zinc/57/48/54/809574854.db2.gz WANBZGZLMINBLN-UHFFFAOYSA-N -1 3 251.258 3.362 20 0 CGADHM Cc1nc([N-]C(=O)c2c(F)c(F)cc(F)c2F)oc1C ZINC001301048840 809577697 /nfs/dbraw/zinc/57/76/97/809577697.db2.gz RLJPUJZHAHBUFT-UHFFFAOYSA-N -1 3 288.200 3.100 20 0 CGADHM Cc1cccc([O-])c1C(=O)NCC[C@H]1CCCC1(F)F ZINC001303059677 809603556 /nfs/dbraw/zinc/60/35/56/809603556.db2.gz RLYISROCGJCVRJ-LLVKDONJSA-N -1 3 283.318 3.256 20 0 CGADHM [O-]c1ccc(Nc2cccc3c2OCC3)c(F)c1F ZINC001176076025 809615426 /nfs/dbraw/zinc/61/54/26/809615426.db2.gz ISAWRYKSNHVBFL-UHFFFAOYSA-N -1 3 263.243 3.349 20 0 CGADHM CCCOc1ccc([N-]c2nnco2)cc1Cl ZINC001176306235 809665083 /nfs/dbraw/zinc/66/50/83/809665083.db2.gz LWAKSTOQHVXIJV-UHFFFAOYSA-N -1 3 253.689 3.255 20 0 CGADHM [O-]c1cc(Cl)cnc1Nc1ccc(O)cc1F ZINC001176410431 809688229 /nfs/dbraw/zinc/68/82/29/809688229.db2.gz ACURNSNZBAOQDX-UHFFFAOYSA-N -1 3 254.648 3.029 20 0 CGADHM CN1CCc2ccc(Nc3csc(C(=O)[O-])c3)cc2C1 ZINC001176440229 809698232 /nfs/dbraw/zinc/69/82/32/809698232.db2.gz ITYYPFAIRSCDSL-UHFFFAOYSA-N -1 3 288.372 3.178 20 0 CGADHM COc1cc(-c2noc(-c3nc(C)ccc3[O-])n2)ccc1C ZINC001213699379 815323520 /nfs/dbraw/zinc/32/35/20/815323520.db2.gz GXSQQBZNHMBUQX-UHFFFAOYSA-N -1 3 297.314 3.130 20 0 CGADHM CC[C@H](CSC)N(C)Cc1ccc([O-])c(F)c1F ZINC001181534565 810058339 /nfs/dbraw/zinc/05/83/39/810058339.db2.gz MUJLXGQWEZEWSQ-SNVBAGLBSA-N -1 3 275.364 3.244 20 0 CGADHM CC(C)(C)c1ccnc(C(=O)Nc2ccc(F)c([O-])c2)c1 ZINC001184569111 810209408 /nfs/dbraw/zinc/20/94/08/810209408.db2.gz SACCTGIHKYWBDI-UHFFFAOYSA-N -1 3 288.322 3.476 20 0 CGADHM Cc1ccc(CNC(=O)Nc2cc(F)ccc2[O-])cc1 ZINC001185400901 810261498 /nfs/dbraw/zinc/26/14/98/810261498.db2.gz DEYRDUOTNXWXDO-UHFFFAOYSA-N -1 3 274.295 3.161 20 0 CGADHM O=C(Nc1c([O-])cccc1Cl)NC1CCCC1 ZINC001185901567 810300305 /nfs/dbraw/zinc/30/03/05/810300305.db2.gz FCTWXBJVKPODQN-UHFFFAOYSA-N -1 3 254.717 3.110 20 0 CGADHM CC(C)(C)C1CCC([N-]S(=O)(=O)c2ccco2)CC1 ZINC001186867997 810367227 /nfs/dbraw/zinc/36/72/27/810367227.db2.gz WLSWCNABCDRSEH-UHFFFAOYSA-N -1 3 285.409 3.163 20 0 CGADHM Cc1cccc([O-])c1C(=O)N1Cc2ccccc2[C@@H](C)C1 ZINC001188640089 810496513 /nfs/dbraw/zinc/49/65/13/810496513.db2.gz FMAKMQOCRUBFFJ-ZDUSSCGKSA-N -1 3 281.355 3.460 20 0 CGADHM Cc1cccc([O-])c1C(=O)Nc1ccc(C(F)F)cn1 ZINC001188640117 810496614 /nfs/dbraw/zinc/49/66/14/810496614.db2.gz GHPVYNYSAUDSNR-UHFFFAOYSA-N -1 3 278.258 3.286 20 0 CGADHM Cc1cccc([O-])c1C(=O)Nc1nc2ccc(F)cc2o1 ZINC001188639024 810497044 /nfs/dbraw/zinc/49/70/44/810497044.db2.gz TZWGVGISJMWGFQ-UHFFFAOYSA-N -1 3 286.262 3.233 20 0 CGADHM Cc1ccc(Cl)cc1NC(=O)Nc1cncc([O-])c1 ZINC001188701852 810505490 /nfs/dbraw/zinc/50/54/90/810505490.db2.gz YWKQXXDVXAZQJU-UHFFFAOYSA-N -1 3 277.711 3.393 20 0 CGADHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](C(C)C)CC2)o1 ZINC001189464700 810572703 /nfs/dbraw/zinc/57/27/03/810572703.db2.gz JJRJHLXOYGKFAP-ZIAGYGMSSA-N -1 3 299.436 3.471 20 0 CGADHM Cc1cc(O)cc([O-])c1C(=O)N[C@H](C)CCCC(C)C ZINC001193937451 810981179 /nfs/dbraw/zinc/98/11/79/810981179.db2.gz HYNWACIKMCEJEG-GFCCVEGCSA-N -1 3 279.380 3.351 20 0 CGADHM Cc1cccc(C)c1S(=O)(=O)[N-]c1cc(F)ccc1F ZINC001194601921 811093636 /nfs/dbraw/zinc/09/36/36/811093636.db2.gz ACEXCTYGSGXGSA-UHFFFAOYSA-N -1 3 297.326 3.382 20 0 CGADHM Cc1c2cn(-c3c(Cl)ccc([O-])c3F)nc2ccc1N ZINC001214559660 815424976 /nfs/dbraw/zinc/42/49/76/815424976.db2.gz SAGLYUPYJKEFNO-UHFFFAOYSA-N -1 3 291.713 3.414 20 0 CGADHM O=C1Cc2ccc(Nc3c(Cl)ccc([O-])c3F)cc2N1 ZINC001214563585 815424725 /nfs/dbraw/zinc/42/47/25/815424725.db2.gz IMBLYAJGYPCHMG-UHFFFAOYSA-N -1 3 292.697 3.423 20 0 CGADHM COc1ccccc1OC(=O)Nc1ccc([O-])c(F)c1 ZINC001195261424 811233714 /nfs/dbraw/zinc/23/37/14/811233714.db2.gz HFIBCNMZYDPHFH-UHFFFAOYSA-N -1 3 277.251 3.151 20 0 CGADHM Cc1c(Cl)onc1C(=O)Nc1cc([O-])cc(Cl)c1 ZINC001199676283 811584497 /nfs/dbraw/zinc/58/44/97/811584497.db2.gz WIJCLWZGFLXLMK-UHFFFAOYSA-N -1 3 287.102 3.248 20 0 CGADHM Cc1ncc(Cl)cc1-c1noc(-c2ccccc2[O-])n1 ZINC001215141828 815487803 /nfs/dbraw/zinc/48/78/03/815487803.db2.gz AVILIYCXNOHSHD-UHFFFAOYSA-N -1 3 287.706 3.466 20 0 CGADHM O=C(Nc1ccc(F)cc1)Nc1cc(F)ccc1[O-] ZINC001202354735 812072648 /nfs/dbraw/zinc/07/26/48/812072648.db2.gz DVBZAJBJHMYPAI-UHFFFAOYSA-N -1 3 264.231 3.314 20 0 CGADHM Cc1ccc(-c2nc(-c3cccc(N(C)C)c3)no2)c([O-])c1 ZINC001215297192 815504333 /nfs/dbraw/zinc/50/43/33/815504333.db2.gz PJJSBSDXUWGFIR-UHFFFAOYSA-N -1 3 295.342 3.484 20 0 CGADHM CC(C)Oc1cc(Nc2cc(=O)[n-]c(=S)[nH]2)ccc1F ZINC001215496163 815525594 /nfs/dbraw/zinc/52/55/94/815525594.db2.gz QZBASAWEIQDSPW-UHFFFAOYSA-N -1 3 295.339 3.141 20 0 CGADHM CC(C)c1nccnc1Nc1cc(F)c([O-])cc1F ZINC001215572580 815537761 /nfs/dbraw/zinc/53/77/61/815537761.db2.gz LSCBGFRWXDYFAU-UHFFFAOYSA-N -1 3 265.263 3.327 20 0 CGADHM Cc1ccc(N)c(N(C)c2cc(F)c([O-])cc2F)c1 ZINC001215574304 815538789 /nfs/dbraw/zinc/53/87/89/815538789.db2.gz PTBVIRQTKNDOLS-UHFFFAOYSA-N -1 3 264.275 3.329 20 0 CGADHM COCCN(c1ccccc1N)c1cc(F)c([O-])cc1F ZINC001215576325 815539791 /nfs/dbraw/zinc/53/97/91/815539791.db2.gz VQMLDUFQUIXFGB-UHFFFAOYSA-N -1 3 294.301 3.037 20 0 CGADHM [O-]c1ccc(-c2cnc3cc(F)ccc3n2)c(F)c1 ZINC001206022076 813168666 /nfs/dbraw/zinc/16/86/66/813168666.db2.gz VGTRCCUXIMVFNL-UHFFFAOYSA-N -1 3 258.227 3.281 20 0 CGADHM [O-]c1ccc(-c2ccc(C(F)(F)F)nn2)c(F)c1 ZINC001206021186 813169451 /nfs/dbraw/zinc/16/94/51/813169451.db2.gz ISCLOUUMQSFDHB-UHFFFAOYSA-N -1 3 258.174 3.007 20 0 CGADHM CCOC(=O)/C=C/c1ccc(-c2ccc([O-])cc2F)nc1 ZINC001206037038 813176318 /nfs/dbraw/zinc/17/63/18/813176318.db2.gz BEQJUCPLCLGAHR-XBXARRHUSA-N -1 3 287.290 3.170 20 0 CGADHM COC(=O)c1ccc(F)cc1-c1ccc([O-])cc1F ZINC001206051952 813183438 /nfs/dbraw/zinc/18/34/38/813183438.db2.gz UBAVFFLCIUJZRS-UHFFFAOYSA-N -1 3 264.227 3.124 20 0 CGADHM CC(=O)Nc1ccc(-c2ccc([O-])cc2F)c(F)c1 ZINC001206064227 813187052 /nfs/dbraw/zinc/18/70/52/813187052.db2.gz BMXKNPYOGLNSGI-UHFFFAOYSA-N -1 3 263.243 3.296 20 0 CGADHM CC(C)COc1cnc(-c2ccc([O-])cc2F)cn1 ZINC001206081483 813194071 /nfs/dbraw/zinc/19/40/71/813194071.db2.gz YCFVBFNVPCQBIQ-UHFFFAOYSA-N -1 3 262.284 3.023 20 0 CGADHM O=c1cc(Nc2cc(O)cc(F)c2)[n-]n1-c1ccccc1 ZINC001206766956 813429059 /nfs/dbraw/zinc/42/90/59/813429059.db2.gz QLFUKELHVDNCCT-UHFFFAOYSA-N -1 3 285.278 3.166 20 0 CGADHM [O-]c1c(F)cc(Nc2ccc(F)cc2O)cc1F ZINC001210016490 814245186 /nfs/dbraw/zinc/24/51/86/814245186.db2.gz IQBOXJMDXWVKNV-UHFFFAOYSA-N -1 3 255.195 3.259 20 0 CGADHM O=C1CCc2ccc(Nc3ccc(F)cc3[O-])cc21 ZINC001210018994 814247793 /nfs/dbraw/zinc/24/77/93/814247793.db2.gz WEDFRPMBWZXDKY-UHFFFAOYSA-N -1 3 257.264 3.404 20 0 CGADHM Cc1nc(Nc2cc(Cl)cc(C)c2F)cc(=O)[n-]1 ZINC001210024008 814250790 /nfs/dbraw/zinc/25/07/90/814250790.db2.gz JKSRNKHRGXUYQG-UHFFFAOYSA-N -1 3 267.691 3.335 20 0 CGADHM COc1ccc2ccccc2c1[N-]c1nonc1C ZINC001210168990 814320360 /nfs/dbraw/zinc/32/03/60/814320360.db2.gz UPONRDOZAXQJLU-UHFFFAOYSA-N -1 3 255.277 3.283 20 0 CGADHM COc1ccnc(Nc2cccc(Cl)c2[O-])c1 ZINC001210215270 814344304 /nfs/dbraw/zinc/34/43/04/814344304.db2.gz BUCLPNQKHMEOHW-UHFFFAOYSA-N -1 3 250.685 3.193 20 0 CGADHM COc1cc(F)ncc1Nc1cccc(Cl)c1[O-] ZINC001210220913 814348561 /nfs/dbraw/zinc/34/85/61/814348561.db2.gz TVBROYCQJCWWCN-UHFFFAOYSA-N -1 3 268.675 3.332 20 0 CGADHM Cc1cc(Nc2cccc(Cl)c2[O-])cc(=O)o1 ZINC001210220496 814349231 /nfs/dbraw/zinc/34/92/31/814349231.db2.gz XXALXVBNGMKCNJ-UHFFFAOYSA-N -1 3 251.669 3.051 20 0 CGADHM O=c1cc(Nc2cccc3ccncc32)nc(C2CC2)[n-]1 ZINC001210223689 814350820 /nfs/dbraw/zinc/35/08/20/814350820.db2.gz DGLJQHPRPCCVBX-UHFFFAOYSA-N -1 3 278.315 3.351 20 0 CGADHM CN(C)c1cncc(Nc2nc3c(cccc3[O-])s2)c1 ZINC001210469722 814475341 /nfs/dbraw/zinc/47/53/41/814475341.db2.gz JSTOJDLLRLWEDO-UHFFFAOYSA-N -1 3 286.360 3.207 20 0 CGADHM Cc1c2cn(-c3cccc([O-])c3Cl)nc2ccc1N ZINC001210854312 814651846 /nfs/dbraw/zinc/65/18/46/814651846.db2.gz OTPAFXQCVSTDOH-UHFFFAOYSA-N -1 3 273.723 3.275 20 0 CGADHM COC(=O)c1cc(O)ccc1Nc1cccc([O-])c1Cl ZINC001210855006 814652051 /nfs/dbraw/zinc/65/20/51/814652051.db2.gz OYQBQJDAUQXBRU-UHFFFAOYSA-N -1 3 293.706 3.281 20 0 CGADHM COC(=O)c1cc(Nc2cccc([O-])c2Cl)ccc1O ZINC001210854181 814652384 /nfs/dbraw/zinc/65/23/84/814652384.db2.gz FIIQAIBMPYYCPO-UHFFFAOYSA-N -1 3 293.706 3.281 20 0 CGADHM CCc1[nH]nc2ncc(Nc3cc([O-])c(F)cc3F)cc21 ZINC001210883634 814662643 /nfs/dbraw/zinc/66/26/43/814662643.db2.gz FTGYOINVWIYNTK-UHFFFAOYSA-N -1 3 290.273 3.248 20 0 CGADHM COC(=O)c1ccc(F)cc1Nc1ccc([O-])c(F)c1F ZINC001211352869 814884935 /nfs/dbraw/zinc/88/49/35/814884935.db2.gz LKVMYVUZWNJVKH-UHFFFAOYSA-N -1 3 297.232 3.340 20 0 CGADHM CCCCOc1ccc(Nc2cnc[n-]c2=O)cc1F ZINC001211613107 814917849 /nfs/dbraw/zinc/91/78/49/814917849.db2.gz WVIZZGFLQTXDPX-UHFFFAOYSA-N -1 3 277.299 3.244 20 0 CGADHM CSc1ccc(-c2ccc(=S)[n-]n2)c(F)c1 ZINC001242812843 823142741 /nfs/dbraw/zinc/14/27/41/823142741.db2.gz OHKAWCUYGDEIAE-UHFFFAOYSA-N -1 3 252.339 3.293 20 0 CGADHM Cc1ccc([N-]c2nonc2N)cc1-c1ccccc1 ZINC001216148377 815715429 /nfs/dbraw/zinc/71/54/29/815715429.db2.gz PGPQPSGFOQQMJK-UHFFFAOYSA-N -1 3 266.304 3.371 20 0 CGADHM COc1c(F)cc(SC)cc1Nc1cc(=O)[n-]c(C)n1 ZINC001216580549 815863259 /nfs/dbraw/zinc/86/32/59/815863259.db2.gz ZCGYIQPZKMGWGQ-UHFFFAOYSA-N -1 3 295.339 3.104 20 0 CGADHM CCOc1cc(Nc2cc([O-])c(F)cc2F)ccn1 ZINC001216627153 815882526 /nfs/dbraw/zinc/88/25/26/815882526.db2.gz WMKQBUNWYFRDBX-UHFFFAOYSA-N -1 3 266.247 3.208 20 0 CGADHM Cc1cc(-c2noc(-c3cc([O-])c(C)c(F)c3)n2)ccn1 ZINC001216895331 815900667 /nfs/dbraw/zinc/90/06/67/815900667.db2.gz MRCHXLBZDCGAAK-UHFFFAOYSA-N -1 3 285.278 3.260 20 0 CGADHM CC(C)(C)c1ccc(C(=O)NCc2ccccc2N)c([O-])c1 ZINC001219927478 816279047 /nfs/dbraw/zinc/27/90/47/816279047.db2.gz NZPGLHDALVWQLK-UHFFFAOYSA-N -1 3 298.386 3.202 20 0 CGADHM CC1(C)NC(=O)c2cc(-c3ccc(F)c([O-])c3)ccc21 ZINC001243045887 823223354 /nfs/dbraw/zinc/22/33/54/823223354.db2.gz AKNHQPZYDPCKGG-UHFFFAOYSA-N -1 3 271.291 3.177 20 0 CGADHM COC(=O)[C@@H](C)c1ccc(-c2ccc(F)c([O-])c2)cc1 ZINC001243051494 823228688 /nfs/dbraw/zinc/22/86/88/823228688.db2.gz MXUMNZHEDNLPNC-JTQLQIEISA-N -1 3 274.291 3.475 20 0 CGADHM O=c1ccc2cccc(-c3ccc(F)c([O-])c3)c2o1 ZINC001243047235 823224907 /nfs/dbraw/zinc/22/49/07/823224907.db2.gz FFNARNIALYCPOM-UHFFFAOYSA-N -1 3 256.232 3.305 20 0 CGADHM O=c1c(-c2ccc(F)c([O-])c2)cccn1Cc1ccccc1 ZINC001243047391 823225020 /nfs/dbraw/zinc/22/50/20/823225020.db2.gz RHBFFAORBWXCJL-UHFFFAOYSA-N -1 3 295.313 3.408 20 0 CGADHM COC(=O)c1c(F)cc(C)cc1-c1ccc(F)c([O-])c1 ZINC001243052054 823228725 /nfs/dbraw/zinc/22/87/25/823228725.db2.gz WIGFROYNDFNMKT-UHFFFAOYSA-N -1 3 278.254 3.432 20 0 CGADHM C[C@H]1C(=O)Nc2ccc(-c3ccc(F)c([O-])c3)cc21 ZINC001243048791 823226143 /nfs/dbraw/zinc/22/61/43/823226143.db2.gz JHARMDQARDMUHB-MRVPVSSYSA-N -1 3 257.264 3.254 20 0 CGADHM COC(=O)c1c(F)cc(-c2ccc(F)c([O-])c2)cc1F ZINC001243049519 823226533 /nfs/dbraw/zinc/22/65/33/823226533.db2.gz PWYOTKRVPSLWBH-UHFFFAOYSA-N -1 3 282.217 3.263 20 0 CGADHM O=C1CCc2ccc(-c3ccc(F)c([O-])c3)cc2N1 ZINC001243049332 823226626 /nfs/dbraw/zinc/22/66/26/823226626.db2.gz LBWRRWCXZHCXBT-UHFFFAOYSA-N -1 3 257.264 3.083 20 0 CGADHM [O-]c1cc(-c2ccnc(-c3cccnc3)n2)ccc1F ZINC001243054957 823229798 /nfs/dbraw/zinc/22/97/98/823229798.db2.gz VXQZTVLDFJERPW-UHFFFAOYSA-N -1 3 267.263 3.050 20 0 CGADHM CCCC[C@@H](C)Oc1nc(=O)[n-]cc1C(F)(F)F ZINC001225580288 817099284 /nfs/dbraw/zinc/09/92/84/817099284.db2.gz WMGVQLLRNPWDAQ-SSDOTTSWSA-N -1 3 264.247 3.159 20 0 CGADHM Cc1cnc(F)c([C@@H](C)Oc2[n-]c(=S)ncc2C)c1 ZINC001225740979 817163186 /nfs/dbraw/zinc/16/31/86/817163186.db2.gz LUAUWFZCKWOYLK-SECBINFHSA-N -1 3 279.340 3.056 20 0 CGADHM CCC(CC)Oc1cc(C(F)(F)F)[n-]c(=S)n1 ZINC001225855064 817196366 /nfs/dbraw/zinc/19/63/66/817196366.db2.gz YFDLKJOPUYCEAM-UHFFFAOYSA-N -1 3 266.288 3.352 20 0 CGADHM CC(=O)c1ccc([O-])c(O[C@@H](C)COC(C)(C)C)c1 ZINC001225999323 817244841 /nfs/dbraw/zinc/24/48/41/817244841.db2.gz VJTSJAGGTWTBKY-JTQLQIEISA-N -1 3 266.337 3.177 20 0 CGADHM Cc1c(=O)[n-]cnc1O[C@@H](c1ccccc1)C1CC1 ZINC001226070838 817265181 /nfs/dbraw/zinc/26/51/81/817265181.db2.gz GEQHLYVTOYRPEX-ZDUSSCGKSA-N -1 3 256.305 3.021 20 0 CGADHM Cc1ccc([C@@H](Oc2nc[n-]c(=O)c2C)C(F)(F)F)cc1 ZINC001226076081 817266082 /nfs/dbraw/zinc/26/60/82/817266082.db2.gz LLBZCMHXELWFRO-LLVKDONJSA-N -1 3 298.264 3.481 20 0 CGADHM CCC[C@H](Oc1[n-]c(=O)ncc1C(C)=O)c1ccccc1 ZINC001226238697 817306742 /nfs/dbraw/zinc/30/67/42/817306742.db2.gz XHNUQOGYXLJOKT-AWEZNQCLSA-N -1 3 286.331 3.305 20 0 CGADHM CC(=O)c1ccc([O-])c(O[C@@H]2CCc3ccccc32)c1O ZINC001226478381 817370148 /nfs/dbraw/zinc/37/01/48/817370148.db2.gz GBBJRNBQWSPDQA-OAHLLOKOSA-N -1 3 284.311 3.367 20 0 CGADHM Cc1ccc([C@H](C)Oc2cc(=O)[n-]c(C)n2)c(C)c1 ZINC001226510842 817381245 /nfs/dbraw/zinc/38/12/45/817381245.db2.gz REMFUHMUYXEKIM-NSHDSACASA-N -1 3 258.321 3.247 20 0 CGADHM C[C@@H]1CCC[C@@H](Oc2c([O-])ccc3ccc(=O)oc32)C1 ZINC001226597446 817410129 /nfs/dbraw/zinc/41/01/29/817410129.db2.gz UCEQYIQACCMYLT-ZYHUDNBSSA-N -1 3 274.316 3.456 20 0 CGADHM C[C@H](Oc1cc(=O)[n-]cn1)c1ccc2ccccc2c1 ZINC001226946193 817512217 /nfs/dbraw/zinc/51/22/17/817512217.db2.gz HDMCLUYDFIXJNW-NSHDSACASA-N -1 3 266.300 3.475 20 0 CGADHM CCc1cnc(=S)[n-]c1O[C@H](C)c1ccco1 ZINC001227061193 817546858 /nfs/dbraw/zinc/54/68/58/817546858.db2.gz AQEBMJBXFURIOA-MRVPVSSYSA-N -1 3 250.323 3.061 20 0 CGADHM CC(C)C[C@@H](Cc1ccccc1)Oc1ccc(=O)[n-]n1 ZINC001227093476 817555888 /nfs/dbraw/zinc/55/58/88/817555888.db2.gz MIHLWENJMQUZFI-AWEZNQCLSA-N -1 3 272.348 3.218 20 0 CGADHM Cc1ccc([C@@H](Oc2ccc(=O)[n-]n2)C(F)(F)F)cc1 ZINC001227093526 817556789 /nfs/dbraw/zinc/55/67/89/817556789.db2.gz NMVORSOKCLHBGF-GFCCVEGCSA-N -1 3 284.237 3.173 20 0 CGADHM C[C@H]1CC[C@H](Oc2cc(=O)cc(C(F)(F)F)[n-]2)C1 ZINC001227586510 817676610 /nfs/dbraw/zinc/67/66/10/817676610.db2.gz MRSOZQCGMCALPF-CBAPKCEASA-N -1 3 261.243 3.373 20 0 CGADHM COC(=O)c1ccc([O-])c(O[C@@H](c2ccccc2)C2CC2)n1 ZINC001227823358 817726254 /nfs/dbraw/zinc/72/62/54/817726254.db2.gz XLMSAALTYLUIPF-HNNXBMFYSA-N -1 3 299.326 3.104 20 0 CGADHM COC(=O)c1ccc([O-])c(O[C@@H](CC(C)C)C(C)C)n1 ZINC001227819729 817727045 /nfs/dbraw/zinc/72/70/45/817727045.db2.gz GXTZVVROJNEUJS-ZDUSSCGKSA-N -1 3 281.352 3.023 20 0 CGADHM CCC[C@@H](Oc1nc(C(=O)OC)ccc1[O-])[C@H](C)CC ZINC001227820615 817727164 /nfs/dbraw/zinc/72/71/64/817727164.db2.gz XQXJKBLLCPMGDO-ZWNOBZJWSA-N -1 3 281.352 3.167 20 0 CGADHM CC[C@H](Oc1nc(C(=O)OC)ccc1[O-])C1CCCCC1 ZINC001227825646 817727835 /nfs/dbraw/zinc/72/78/35/817727835.db2.gz NLQZQZQAXRIVIG-AWEZNQCLSA-N -1 3 293.363 3.312 20 0 CGADHM C[C@@H](COc1ccccc1)Oc1ncc(Cl)cc1[O-] ZINC001227981142 817771521 /nfs/dbraw/zinc/77/15/21/817771521.db2.gz SUGXAQATHOTUTI-JTQLQIEISA-N -1 3 279.723 3.287 20 0 CGADHM [O-]c1cc(Cl)cnc1O[C@H]1COCc2ccccc21 ZINC001227981495 817772122 /nfs/dbraw/zinc/77/21/22/817772122.db2.gz WRKQZZNBFRRWDQ-ZDUSSCGKSA-N -1 3 277.707 3.091 20 0 CGADHM C[C@@H](Oc1ncc(Cl)cc1[O-])c1cccnc1F ZINC001227982295 817772994 /nfs/dbraw/zinc/77/29/94/817772994.db2.gz AXXNEFWZCMTELC-SSDOTTSWSA-N -1 3 268.675 3.115 20 0 CGADHM CCCc1c([O-])ccc(C(C)=O)c1OC1CCOCC1 ZINC001228133400 817820506 /nfs/dbraw/zinc/82/05/06/817820506.db2.gz FAZGQUHULYONLK-UHFFFAOYSA-N -1 3 278.348 3.105 20 0 CGADHM CC(C)C1CCC(Oc2nnc(-c3cccnc3)[n-]2)CC1 ZINC001228696618 817977564 /nfs/dbraw/zinc/97/75/64/817977564.db2.gz APQQFEQEJTWKGS-UHFFFAOYSA-N -1 3 286.379 3.460 20 0 CGADHM CC(C)C1CCC(Oc2nc(-c3cccnc3)n[n-]2)CC1 ZINC001228696618 817977570 /nfs/dbraw/zinc/97/75/70/817977570.db2.gz APQQFEQEJTWKGS-UHFFFAOYSA-N -1 3 286.379 3.460 20 0 CGADHM CC(C)C1CCC(Oc2n[n-]c(-c3cccnc3)n2)CC1 ZINC001228696618 817977576 /nfs/dbraw/zinc/97/75/76/817977576.db2.gz APQQFEQEJTWKGS-UHFFFAOYSA-N -1 3 286.379 3.460 20 0 CGADHM CC[C@@H](C)CC[C@@H](C)Oc1nnc(-c2cccnc2)[n-]1 ZINC001228699051 817979152 /nfs/dbraw/zinc/97/91/52/817979152.db2.gz ULKHVHDTFWEJIB-VXGBXAGGSA-N -1 3 274.368 3.460 20 0 CGADHM CC[C@@H](C)CC[C@@H](C)Oc1nc(-c2cccnc2)n[n-]1 ZINC001228699051 817979160 /nfs/dbraw/zinc/97/91/60/817979160.db2.gz ULKHVHDTFWEJIB-VXGBXAGGSA-N -1 3 274.368 3.460 20 0 CGADHM CC[C@@H](C)CC[C@@H](C)Oc1n[n-]c(-c2cccnc2)n1 ZINC001228699051 817979166 /nfs/dbraw/zinc/97/91/66/817979166.db2.gz ULKHVHDTFWEJIB-VXGBXAGGSA-N -1 3 274.368 3.460 20 0 CGADHM CCCC(CCC)Oc1nnc(-c2cccnc2)[n-]1 ZINC001228699150 817980138 /nfs/dbraw/zinc/98/01/38/817980138.db2.gz WCZGAMQCVHTKPB-UHFFFAOYSA-N -1 3 260.341 3.214 20 0 CGADHM CCCC(CCC)Oc1nc(-c2cccnc2)n[n-]1 ZINC001228699150 817980142 /nfs/dbraw/zinc/98/01/42/817980142.db2.gz WCZGAMQCVHTKPB-UHFFFAOYSA-N -1 3 260.341 3.214 20 0 CGADHM CCCC(CCC)Oc1n[n-]c(-c2cccnc2)n1 ZINC001228699150 817980148 /nfs/dbraw/zinc/98/01/48/817980148.db2.gz WCZGAMQCVHTKPB-UHFFFAOYSA-N -1 3 260.341 3.214 20 0 CGADHM C[C@@H](Oc1cc2c(cc1[O-])CCC2=O)C1CCCC1 ZINC001228853686 818023444 /nfs/dbraw/zinc/02/34/44/818023444.db2.gz JNPDJEDSJDRIAA-SNVBAGLBSA-N -1 3 260.333 3.479 20 0 CGADHM CC[C@H](C)CC[C@@H](C)Oc1cccc(-c2nnn[n-]2)c1 ZINC001231118076 818034124 /nfs/dbraw/zinc/03/41/24/818034124.db2.gz JNLGYAUCKGEZNV-NWDGAFQWSA-N -1 3 274.368 3.460 20 0 CGADHM CC[C@H](C)CC[C@@H](C)Oc1cccc(-c2nn[n-]n2)c1 ZINC001231118076 818034128 /nfs/dbraw/zinc/03/41/28/818034128.db2.gz JNLGYAUCKGEZNV-NWDGAFQWSA-N -1 3 274.368 3.460 20 0 CGADHM CC(C)CC[C@@H](C)Oc1cccc(-c2nnn[n-]2)c1 ZINC001231118971 818035778 /nfs/dbraw/zinc/03/57/78/818035778.db2.gz XOYZILPDFLLKTQ-LLVKDONJSA-N -1 3 260.341 3.070 20 0 CGADHM CC(C)CC[C@@H](C)Oc1cccc(-c2nn[n-]n2)c1 ZINC001231118971 818035779 /nfs/dbraw/zinc/03/57/79/818035779.db2.gz XOYZILPDFLLKTQ-LLVKDONJSA-N -1 3 260.341 3.070 20 0 CGADHM CCO[C@H]1CCCN(Cc2ccc(Cl)c([O-])c2)C1 ZINC001231732658 818162194 /nfs/dbraw/zinc/16/21/94/818162194.db2.gz ALNPLHIKNPWTMG-LBPRGKRZSA-N -1 3 269.772 3.047 20 0 CGADHM [O-]c1cc(CN2CC[C@@]3(C2)CCCCO3)ccc1Cl ZINC001231731516 818162369 /nfs/dbraw/zinc/16/23/69/818162369.db2.gz NNMGHYDKTYAQCZ-OAHLLOKOSA-N -1 3 281.783 3.191 20 0 CGADHM [O-]c1c(F)ccc(CN2CCC3(CCCC3)C2)c1F ZINC001232935721 818477981 /nfs/dbraw/zinc/47/79/81/818477981.db2.gz WBIRHESZJSYNMV-UHFFFAOYSA-N -1 3 267.319 3.437 20 0 CGADHM COc1cccc(CN(C)Cc2cc([O-])c(F)c(F)c2)c1 ZINC001232972190 818488836 /nfs/dbraw/zinc/48/88/36/818488836.db2.gz VQKJSUQCZPHNGC-UHFFFAOYSA-N -1 3 293.313 3.311 20 0 CGADHM C[C@H]1CCC[C@H](C)N1Cc1cc(Cl)ncc1[O-] ZINC001233033433 818504081 /nfs/dbraw/zinc/50/40/81/818504081.db2.gz NRUDNKFDRRGYFK-UWVGGRQHSA-N -1 3 254.761 3.204 20 0 CGADHM CN(Cc1cnc2ccccn12)Cc1ccc([S-])cc1 ZINC001233259294 818558424 /nfs/dbraw/zinc/55/84/24/818558424.db2.gz NCRLWIAYLMZKQF-UHFFFAOYSA-N -1 3 283.400 3.255 20 0 CGADHM C[C@@H]1CN(Cc2c(F)ccc([O-])c2F)C2(CC2)C1 ZINC001233396729 818610645 /nfs/dbraw/zinc/61/06/45/818610645.db2.gz RUHVYQHAOXFHOD-VIFPVBQESA-N -1 3 253.292 3.045 20 0 CGADHM CN(Cc1ccc(-c2ccc([O-])c(F)c2F)nc1)C1CC1 ZINC001243338925 823352273 /nfs/dbraw/zinc/35/22/73/823352273.db2.gz KURGYOGHLBTEKI-UHFFFAOYSA-N -1 3 290.313 3.327 20 0 CGADHM CCC[C@@H](CC(=O)OC)Oc1cc(Cl)c([O-])cc1C ZINC001233592826 818652817 /nfs/dbraw/zinc/65/28/17/818652817.db2.gz QALUKRXMOSWDNJ-JTQLQIEISA-N -1 3 286.755 3.465 20 0 CGADHM CCOC(=O)[C@H](CC)Oc1cc(Cl)c([O-])cc1C ZINC001233591309 818652865 /nfs/dbraw/zinc/65/28/65/818652865.db2.gz FHWVAWSEVMVWEF-NSHDSACASA-N -1 3 272.728 3.075 20 0 CGADHM CC(C)[C@H](Oc1cccc([O-])c1F)C(=O)OC(C)(C)C ZINC001233871444 818722096 /nfs/dbraw/zinc/72/20/96/818722096.db2.gz NYXLGCFPXINOCJ-ZDUSSCGKSA-N -1 3 284.327 3.276 20 0 CGADHM CCCCC[C@H](CC)Oc1cccc([O-])c1C(N)=O ZINC001234149320 818792386 /nfs/dbraw/zinc/79/23/86/818792386.db2.gz NNJDBYDNIRFEGE-NSHDSACASA-N -1 3 265.353 3.229 20 0 CGADHM Cc1c([C@@H](C)Oc2c(Cl)ccc([O-])c2F)cnn1C ZINC001234266166 818821111 /nfs/dbraw/zinc/82/11/11/818821111.db2.gz ZGXUAPKTDZCPAD-MRVPVSSYSA-N -1 3 284.718 3.367 20 0 CGADHM C[C@H](Oc1nc[n-]c(=O)c1-c1ccccc1)c1cccnc1 ZINC001234687836 818914043 /nfs/dbraw/zinc/91/40/43/818914043.db2.gz CHXWBWNKMVEGKJ-LBPRGKRZSA-N -1 3 293.326 3.384 20 0 CGADHM C[C@@H](Oc1nc[n-]c(=O)c1-c1ccccc1)C(F)(F)F ZINC001234687801 818914412 /nfs/dbraw/zinc/91/44/12/818914412.db2.gz BSPHLHWGUJBNNY-MRVPVSSYSA-N -1 3 284.237 3.179 20 0 CGADHM FC1(F)C[C@H](Oc2nc3ccsc3[n-]2)C1(F)F ZINC001234846207 818930958 /nfs/dbraw/zinc/93/09/58/818930958.db2.gz ADJSSBNDZLVNHD-YFKPBYRVSA-N -1 3 266.219 3.046 20 0 CGADHM c1cc2nc(O[C@H]3CCCc4cccnc43)[n-]c2s1 ZINC001234852109 818934653 /nfs/dbraw/zinc/93/46/53/818934653.db2.gz RQAAJUYZCDYYPY-NSHDSACASA-N -1 3 271.345 3.476 20 0 CGADHM C[C@@H](COC(C)(C)C)Oc1nc2ccsc2[n-]1 ZINC001234852765 818934742 /nfs/dbraw/zinc/93/47/42/818934742.db2.gz YVGFOBCDIXIQRY-QMMMGPOBSA-N -1 3 254.355 3.207 20 0 CGADHM C[C@@H](COC(C)(C)C)Oc1nc2sccc2[n-]1 ZINC001234852765 818934746 /nfs/dbraw/zinc/93/47/46/818934746.db2.gz YVGFOBCDIXIQRY-QMMMGPOBSA-N -1 3 254.355 3.207 20 0 CGADHM COc1ccc(-c2cc([O-])cc(Cl)c2)c(F)n1 ZINC001235908589 819217958 /nfs/dbraw/zinc/21/79/58/819217958.db2.gz FMPDGFNMFXECKM-UHFFFAOYSA-N -1 3 253.660 3.255 20 0 CGADHM Clc1nccc(-c2ccc(-c3nnn[n-]3)cc2)c1Cl ZINC001243416150 823397819 /nfs/dbraw/zinc/39/78/19/823397819.db2.gz MOZIGDKINSLDIW-UHFFFAOYSA-N -1 3 292.129 3.236 20 0 CGADHM Clc1nccc(-c2ccc(-c3nn[n-]n3)cc2)c1Cl ZINC001243416150 823397823 /nfs/dbraw/zinc/39/78/23/823397823.db2.gz MOZIGDKINSLDIW-UHFFFAOYSA-N -1 3 292.129 3.236 20 0 CGADHM Cc1ccc(F)c(-c2cnc3[nH]ccc3c2F)c1[O-] ZINC001236405622 819454979 /nfs/dbraw/zinc/45/49/79/819454979.db2.gz YNMPFAZRUYAWLR-UHFFFAOYSA-N -1 3 260.243 3.474 20 0 CGADHM Cc1ccc(F)c(-c2cccn(-c3cccnc3)c2=O)c1[O-] ZINC001236414815 819459965 /nfs/dbraw/zinc/45/99/65/819459965.db2.gz LSHFYYZWJMFCQD-UHFFFAOYSA-N -1 3 296.301 3.053 20 0 CGADHM [O-]c1cc(CN2CCOC[C@H]2C2CCCCC2)ccc1F ZINC001236707743 819578192 /nfs/dbraw/zinc/57/81/92/819578192.db2.gz KIXFAONFJWEIIF-INIZCTEOSA-N -1 3 293.382 3.312 20 0 CGADHM C[C@H]1Cc2ccccc2CN1Cc1sc(=O)[n-]c1Cl ZINC001237168776 819688399 /nfs/dbraw/zinc/68/83/99/819688399.db2.gz JJBJYLKCDBPROM-VIFPVBQESA-N -1 3 294.807 3.449 20 0 CGADHM Cc1cc([C@@H]2CCCN2Cc2occc2[S-])no1 ZINC001237184281 819689520 /nfs/dbraw/zinc/68/95/20/819689520.db2.gz XDRRXQQPLARJIE-NSHDSACASA-N -1 3 264.350 3.202 20 0 CGADHM [O-]c1cc(F)cc(CN2CCCC[C@H]2C(F)(F)F)c1 ZINC001237276524 819715222 /nfs/dbraw/zinc/71/52/22/819715222.db2.gz GQWHKRKMUBLSDG-LBPRGKRZSA-N -1 3 277.261 3.448 20 0 CGADHM CCOC(=O)c1cnc(-c2cccc([O-])c2F)c(C)c1 ZINC001243541249 823435936 /nfs/dbraw/zinc/43/59/36/823435936.db2.gz AYRVCGQVNBUVNU-UHFFFAOYSA-N -1 3 275.279 3.078 20 0 CGADHM Cc1nc(-c2cccc([O-])c2F)cc(C(F)(F)F)n1 ZINC001243542133 823436331 /nfs/dbraw/zinc/43/63/31/823436331.db2.gz HOQHGLZLGVICJU-UHFFFAOYSA-N -1 3 272.201 3.316 20 0 CGADHM Nc1cc(-c2cccc([O-])c2F)nc(C(F)(F)F)c1 ZINC001243543574 823436441 /nfs/dbraw/zinc/43/64/41/823436441.db2.gz UEWZKEIJXWSPDF-UHFFFAOYSA-N -1 3 272.201 3.194 20 0 CGADHM Cc1ccc2nc(-c3cccc([O-])c3F)ccc2n1 ZINC001243543750 823436617 /nfs/dbraw/zinc/43/66/17/823436617.db2.gz XIAYYKYFMQMNKW-UHFFFAOYSA-N -1 3 254.264 3.450 20 0 CGADHM [O-]c1cccc(-c2ccc3c(c2)OCCCO3)c1F ZINC001243545861 823438354 /nfs/dbraw/zinc/43/83/54/823438354.db2.gz CRRVCTFKTXPPJV-UHFFFAOYSA-N -1 3 260.264 3.360 20 0 CGADHM O=C1OCc2cc(-c3cccc([O-])c3F)cc(F)c21 ZINC001243546901 823438738 /nfs/dbraw/zinc/43/87/38/823438738.db2.gz UFWXKJMZJBZDII-UHFFFAOYSA-N -1 3 262.211 3.008 20 0 CGADHM [O-]c1cccc(-c2ccc(N3CCOCC3)c(F)c2)c1F ZINC001243546706 823438987 /nfs/dbraw/zinc/43/89/87/823438987.db2.gz DDQOTKXNFDJBLJ-UHFFFAOYSA-N -1 3 291.297 3.174 20 0 CGADHM COCc1cc(OC)ccc1-c1cccc([O-])c1F ZINC001243546656 823439218 /nfs/dbraw/zinc/43/92/18/823439218.db2.gz ROGSHKXCTXYJNW-UHFFFAOYSA-N -1 3 262.280 3.353 20 0 CGADHM Fc1c(Cl)cccc1-c1ccc(Cc2nnn[n-]2)cc1 ZINC001238958896 820169380 /nfs/dbraw/zinc/16/93/80/820169380.db2.gz RKPMZIDYDIVQMO-UHFFFAOYSA-N -1 3 288.713 3.250 20 0 CGADHM Fc1c(Cl)cccc1-c1ccc(Cc2nn[n-]n2)cc1 ZINC001238958896 820169384 /nfs/dbraw/zinc/16/93/84/820169384.db2.gz RKPMZIDYDIVQMO-UHFFFAOYSA-N -1 3 288.713 3.250 20 0 CGADHM Fc1cc(C=Cc2ccccc2)ccc1-c1nn[n-]n1 ZINC001239592818 820440911 /nfs/dbraw/zinc/44/09/11/820440911.db2.gz BVSJXSYZCJVIBN-VOTSOKGWSA-N -1 3 266.279 3.176 20 0 CGADHM Fc1cc(/C=C/c2ccccc2)ccc1-c1nn[n-]n1 ZINC001239592818 820440917 /nfs/dbraw/zinc/44/09/17/820440917.db2.gz BVSJXSYZCJVIBN-VOTSOKGWSA-N -1 3 266.279 3.176 20 0 CGADHM Cc1cc(-c2nnn[n-]2)ccc1-c1ccc(F)cc1F ZINC001239680550 820516538 /nfs/dbraw/zinc/51/65/38/820516538.db2.gz VRGDXIANCYWGSF-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM Cc1cc(-c2nn[n-]n2)ccc1-c1ccc(F)cc1F ZINC001239680550 820516541 /nfs/dbraw/zinc/51/65/41/820516541.db2.gz VRGDXIANCYWGSF-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM Cc1cc(F)ccc1-c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001239741732 820564489 /nfs/dbraw/zinc/56/44/89/820564489.db2.gz MVLZBIQRVLIDQQ-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM Cc1cc(F)ccc1-c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001239741732 820564491 /nfs/dbraw/zinc/56/44/91/820564491.db2.gz MVLZBIQRVLIDQQ-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM COc1ccc(C)cc1-c1ccc(C)c(-c2nnn[n-]2)c1 ZINC001239770372 820591873 /nfs/dbraw/zinc/59/18/73/820591873.db2.gz QKZIRGIYAXAARC-UHFFFAOYSA-N -1 3 280.331 3.159 20 0 CGADHM COc1ccc(C)cc1-c1ccc(C)c(-c2nn[n-]n2)c1 ZINC001239770372 820591879 /nfs/dbraw/zinc/59/18/79/820591879.db2.gz QKZIRGIYAXAARC-UHFFFAOYSA-N -1 3 280.331 3.159 20 0 CGADHM Cc1cc(-c2ccc(-c3nnn[n-]3)cc2)c(C)s1 ZINC001240431287 821051574 /nfs/dbraw/zinc/05/15/74/821051574.db2.gz UFYPMGTUJFEVGU-UHFFFAOYSA-N -1 3 256.334 3.212 20 0 CGADHM Cc1cc(-c2ccc(-c3nn[n-]n3)cc2)c(C)s1 ZINC001240431287 821051582 /nfs/dbraw/zinc/05/15/82/821051582.db2.gz UFYPMGTUJFEVGU-UHFFFAOYSA-N -1 3 256.334 3.212 20 0 CGADHM c1cc(-c2nnn[n-]2)cc(-c2cccc(N3CCCC3)c2)c1 ZINC001240537551 821131632 /nfs/dbraw/zinc/13/16/32/821131632.db2.gz SZKDOBCROIDYEE-UHFFFAOYSA-N -1 3 291.358 3.134 20 0 CGADHM c1cc(-c2nn[n-]n2)cc(-c2cccc(N3CCCC3)c2)c1 ZINC001240537551 821131636 /nfs/dbraw/zinc/13/16/36/821131636.db2.gz SZKDOBCROIDYEE-UHFFFAOYSA-N -1 3 291.358 3.134 20 0 CGADHM Cc1cc(F)cc(-c2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC001240595199 821176435 /nfs/dbraw/zinc/17/64/35/821176435.db2.gz GNYJNYCUDZDYFV-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM Cc1cc(F)cc(-c2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC001240595199 821176440 /nfs/dbraw/zinc/17/64/40/821176440.db2.gz GNYJNYCUDZDYFV-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM [O-]c1ccc(-c2cc(-c3cccnc3)ncn2)cc1F ZINC001240782776 821320709 /nfs/dbraw/zinc/32/07/09/821320709.db2.gz IYKGYHUJKSBLIK-UHFFFAOYSA-N -1 3 267.263 3.050 20 0 CGADHM C[C@H]1C(=O)Nc2cc(-c3ccc([O-])c(F)c3)ccc21 ZINC001240785656 821325770 /nfs/dbraw/zinc/32/57/70/821325770.db2.gz LGNOTMHQNAMTIS-MRVPVSSYSA-N -1 3 257.264 3.254 20 0 CGADHM COC(=O)c1c(F)ccc(-c2ccc([O-])c(F)c2)c1F ZINC001240786907 821326330 /nfs/dbraw/zinc/32/63/30/821326330.db2.gz BGXGNWDUWRMMMP-UHFFFAOYSA-N -1 3 282.217 3.263 20 0 CGADHM COC(=O)c1c(F)cc(F)cc1-c1ccc([O-])c(F)c1 ZINC001240786851 821326367 /nfs/dbraw/zinc/32/63/67/821326367.db2.gz YDGLUWOKJFGLBP-UHFFFAOYSA-N -1 3 282.217 3.263 20 0 CGADHM Nc1cnc2cc(-c3ccc([O-])c(F)c3)ccc2c1 ZINC001240788068 821329476 /nfs/dbraw/zinc/32/94/76/821329476.db2.gz YKZYRJICOKKFMK-UHFFFAOYSA-N -1 3 254.264 3.329 20 0 CGADHM CC1(C)NC(=O)Cc2ccc(-c3ccc([O-])c(F)c3)cc21 ZINC001240791229 821335315 /nfs/dbraw/zinc/33/53/15/821335315.db2.gz VTKFEAXBYGMPJO-UHFFFAOYSA-N -1 3 285.318 3.106 20 0 CGADHM Cc1nc2ccc(F)cc2c(-c2ccccc2[O-])n1 ZINC001241001611 821480701 /nfs/dbraw/zinc/48/07/01/821480701.db2.gz BLZMAMHTHBVYGN-UHFFFAOYSA-N -1 3 254.264 3.450 20 0 CGADHM Cc1nc2cc(F)ccc2c(-c2ccccc2[O-])n1 ZINC001241002019 821480895 /nfs/dbraw/zinc/48/08/95/821480895.db2.gz POEQEXUKQKFDEG-UHFFFAOYSA-N -1 3 254.264 3.450 20 0 CGADHM COC(=O)c1nc(-c2ccccc2[O-])ccc1C(F)(F)F ZINC001241003129 821481482 /nfs/dbraw/zinc/48/14/82/821481482.db2.gz HPSRYXLSJGPDIP-UHFFFAOYSA-N -1 3 297.232 3.260 20 0 CGADHM COC(=O)c1ccc2c(ccnc2-c2ccccc2[O-])c1 ZINC001241003655 821482814 /nfs/dbraw/zinc/48/28/14/821482814.db2.gz RLERBXDMUGZTTD-UHFFFAOYSA-N -1 3 279.295 3.394 20 0 CGADHM COc1cc(C)c2ncnc(-c3ccccc3[O-])c2c1 ZINC001241008468 821485097 /nfs/dbraw/zinc/48/50/97/821485097.db2.gz KDVGRRAKPCXIEN-UHFFFAOYSA-N -1 3 266.300 3.319 20 0 CGADHM Cc1cc(-c2nnn[n-]2)ccc1-c1c(F)ccc(F)c1F ZINC001241051178 821524408 /nfs/dbraw/zinc/52/44/08/821524408.db2.gz YALQGMKBKFPFCN-UHFFFAOYSA-N -1 3 290.248 3.259 20 0 CGADHM Cc1cc(-c2nn[n-]n2)ccc1-c1c(F)ccc(F)c1F ZINC001241051178 821524411 /nfs/dbraw/zinc/52/44/11/821524411.db2.gz YALQGMKBKFPFCN-UHFFFAOYSA-N -1 3 290.248 3.259 20 0 CGADHM COc1cc(C)c(-c2cc(-c3nnn[n-]3)ccc2F)cc1C ZINC001241136293 821590840 /nfs/dbraw/zinc/59/08/40/821590840.db2.gz LDDZORXEMKPVMN-UHFFFAOYSA-N -1 3 298.321 3.298 20 0 CGADHM COc1cc(C)c(-c2cc(-c3nn[n-]n3)ccc2F)cc1C ZINC001241136293 821590843 /nfs/dbraw/zinc/59/08/43/821590843.db2.gz LDDZORXEMKPVMN-UHFFFAOYSA-N -1 3 298.321 3.298 20 0 CGADHM Fc1cc(F)c(-c2ccc(-c3nnn[n-]3)c(F)c2)c(F)c1 ZINC001241171859 821615265 /nfs/dbraw/zinc/61/52/65/821615265.db2.gz JINJSHRHCANOJS-UHFFFAOYSA-N -1 3 294.211 3.090 20 0 CGADHM Fc1cc(F)c(-c2ccc(-c3nn[n-]n3)c(F)c2)c(F)c1 ZINC001241171859 821615268 /nfs/dbraw/zinc/61/52/68/821615268.db2.gz JINJSHRHCANOJS-UHFFFAOYSA-N -1 3 294.211 3.090 20 0 CGADHM Fc1ccc(-c2nnn[n-]2)cc1-c1ccc(Cl)c(F)c1 ZINC001241232621 821656892 /nfs/dbraw/zinc/65/68/92/821656892.db2.gz ZHYCHCIBPVGMPI-UHFFFAOYSA-N -1 3 292.676 3.465 20 0 CGADHM Fc1ccc(-c2nn[n-]n2)cc1-c1ccc(Cl)c(F)c1 ZINC001241232621 821656898 /nfs/dbraw/zinc/65/68/98/821656898.db2.gz ZHYCHCIBPVGMPI-UHFFFAOYSA-N -1 3 292.676 3.465 20 0 CGADHM CC1CCN(c2ccc(-c3cc([O-])cc(F)c3)nn2)CC1 ZINC001241261368 821681217 /nfs/dbraw/zinc/68/12/17/821681217.db2.gz LRDXFTKMDZZXOO-UHFFFAOYSA-N -1 3 287.338 3.225 20 0 CGADHM CCOC(=O)/C=C/c1ccc(-c2cc([O-])cc(F)c2)nc1 ZINC001241263049 821682471 /nfs/dbraw/zinc/68/24/71/821682471.db2.gz XHYAIYUMHIPUHZ-GQCTYLIASA-N -1 3 287.290 3.170 20 0 CGADHM [O-]c1cc(F)cc(-c2ccc(N3CCOCC3)cc2)c1 ZINC001241267463 821686541 /nfs/dbraw/zinc/68/65/41/821686541.db2.gz VXRFHDLETBXVSJ-UHFFFAOYSA-N -1 3 273.307 3.035 20 0 CGADHM C[S@@](=N)(=O)c1ccc(-c2cc([O-])cc(F)c2)cc1 ZINC001241278246 821696475 /nfs/dbraw/zinc/69/64/75/821696475.db2.gz ZBTOMHRKGRYBMD-GOSISDBHSA-N -1 3 265.309 3.234 20 0 CGADHM O=c1cc(-c2cc([O-])cc(F)c2)ccn1C1CCC1 ZINC001241280713 821699968 /nfs/dbraw/zinc/69/99/68/821699968.db2.gz SNHDTJXEQPMVIZ-UHFFFAOYSA-N -1 3 259.280 3.085 20 0 CGADHM O=c1c(-c2cc([O-])cc(F)c2)cccn1-c1cccc(F)c1 ZINC001241280921 821700163 /nfs/dbraw/zinc/70/01/63/821700163.db2.gz ZBBVAWHXRFWKTQ-UHFFFAOYSA-N -1 3 299.276 3.488 20 0 CGADHM [O-]c1cc(F)cc(-c2cccc3c2CCC32OCCO2)c1 ZINC001241282087 821700768 /nfs/dbraw/zinc/70/07/68/821700768.db2.gz HSUPHAOISIQNAK-UHFFFAOYSA-N -1 3 286.302 3.344 20 0 CGADHM O=C1NCCC[C@H]1c1ccc(-c2cc([O-])cc(F)c2)cc1 ZINC001241282665 821701824 /nfs/dbraw/zinc/70/18/24/821701824.db2.gz NMNBURDKOVDSJV-INIZCTEOSA-N -1 3 285.318 3.192 20 0 CGADHM COC(=O)/C=C/c1ccc(-c2cc([O-])cc(F)c2)cc1 ZINC001241283776 821702803 /nfs/dbraw/zinc/70/28/03/821702803.db2.gz ZMZROCZTDAZEPN-QPJJXVBHSA-N -1 3 272.275 3.385 20 0 CGADHM COC(=O)c1ccc(-c2c(F)ccc([O-])c2F)cc1OC ZINC001241290595 821706288 /nfs/dbraw/zinc/70/62/88/821706288.db2.gz AOCCUZWTNNQBAX-UHFFFAOYSA-N -1 3 294.253 3.133 20 0 CGADHM COC(=O)Cc1cccc(-c2c(F)ccc([O-])c2F)c1 ZINC001241291342 821707954 /nfs/dbraw/zinc/70/79/54/821707954.db2.gz NAQARFDTVQDWBF-UHFFFAOYSA-N -1 3 278.254 3.053 20 0 CGADHM CCNC(=O)c1ccccc1-c1c(F)ccc([O-])c1F ZINC001241291833 821709235 /nfs/dbraw/zinc/70/92/35/821709235.db2.gz YXAKBNWZQSFGFL-UHFFFAOYSA-N -1 3 277.270 3.087 20 0 CGADHM COCc1ccc(-c2c(F)ccc([O-])c2F)cc1 ZINC001241293076 821710919 /nfs/dbraw/zinc/71/09/19/821710919.db2.gz AHAXNXCJJYWNIO-UHFFFAOYSA-N -1 3 250.244 3.484 20 0 CGADHM [O-]c1ccc(F)c(-c2cnc(OC3CCC3)nc2)c1F ZINC001241294071 821712085 /nfs/dbraw/zinc/71/20/85/821712085.db2.gz JVSHJALKSQVDEJ-UHFFFAOYSA-N -1 3 278.258 3.059 20 0 CGADHM CCOc1cc(F)ccc1-c1ccc(-c2nnn[n-]2)cc1 ZINC001241320104 821730731 /nfs/dbraw/zinc/73/07/31/821730731.db2.gz ISKSXOLYOKMRBO-UHFFFAOYSA-N -1 3 284.294 3.072 20 0 CGADHM CCOc1cc(F)ccc1-c1ccc(-c2nn[n-]n2)cc1 ZINC001241320104 821730738 /nfs/dbraw/zinc/73/07/38/821730738.db2.gz ISKSXOLYOKMRBO-UHFFFAOYSA-N -1 3 284.294 3.072 20 0 CGADHM Cc1ccc(-c2ccc(F)c(-c3nnn[n-]3)c2)c(F)c1 ZINC001241356313 821756878 /nfs/dbraw/zinc/75/68/78/821756878.db2.gz XWDQVTLVWOTXCH-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM Cc1ccc(-c2ccc(F)c(-c3nn[n-]n3)c2)c(F)c1 ZINC001241356313 821756883 /nfs/dbraw/zinc/75/68/83/821756883.db2.gz XWDQVTLVWOTXCH-UHFFFAOYSA-N -1 3 272.258 3.120 20 0 CGADHM CN(C)c1ccc(-c2ccc3c(c2)[N-]C(=S)C3)cn1 ZINC001241373064 821774339 /nfs/dbraw/zinc/77/43/39/821774339.db2.gz UOJZSOKMSNEOIR-UHFFFAOYSA-N -1 3 269.373 3.110 20 0 CGADHM Cc1cc2ccccc2c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC001241442587 821836554 /nfs/dbraw/zinc/83/65/54/821836554.db2.gz NQTDHDNPJSUNOK-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM Cc1cc2ccccc2c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC001241442587 821836562 /nfs/dbraw/zinc/83/65/62/821836562.db2.gz NQTDHDNPJSUNOK-UHFFFAOYSA-N -1 3 287.326 3.390 20 0 CGADHM COc1ccc(-c2ccc(-c3nnn[n-]3)cc2)c2cc[nH]c21 ZINC001241445978 821840005 /nfs/dbraw/zinc/84/00/05/821840005.db2.gz YVPOWGYFZUSCCX-UHFFFAOYSA-N -1 3 291.314 3.024 20 0 CGADHM COc1ccc(-c2ccc(-c3nn[n-]n3)cc2)c2cc[nH]c21 ZINC001241445978 821840016 /nfs/dbraw/zinc/84/00/16/821840016.db2.gz YVPOWGYFZUSCCX-UHFFFAOYSA-N -1 3 291.314 3.024 20 0 CGADHM Fc1cccc2ncc(-c3ccc(-c4nnn[n-]4)cc3)cc12 ZINC001241445816 821840239 /nfs/dbraw/zinc/84/02/39/821840239.db2.gz ZCSNFRRKUSFVHK-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Fc1cccc2ncc(-c3ccc(-c4nn[n-]n4)cc3)cc12 ZINC001241445816 821840245 /nfs/dbraw/zinc/84/02/45/821840245.db2.gz ZCSNFRRKUSFVHK-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Cc1cc2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc2[nH]1 ZINC001241445023 821841821 /nfs/dbraw/zinc/84/18/21/821841821.db2.gz INIOWERALSSUGO-UHFFFAOYSA-N -1 3 275.315 3.323 20 0 CGADHM Cc1cc2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc2[nH]1 ZINC001241445023 821841831 /nfs/dbraw/zinc/84/18/31/821841831.db2.gz INIOWERALSSUGO-UHFFFAOYSA-N -1 3 275.315 3.323 20 0 CGADHM CSc1cccc(-c2ccc(-c3nnn[n-]3)cc2)c1F ZINC001241446848 821842641 /nfs/dbraw/zinc/84/26/41/821842641.db2.gz VEUSXJIAOBNGCU-UHFFFAOYSA-N -1 3 286.335 3.395 20 0 CGADHM CSc1cccc(-c2ccc(-c3nn[n-]n3)cc2)c1F ZINC001241446848 821842651 /nfs/dbraw/zinc/84/26/51/821842651.db2.gz VEUSXJIAOBNGCU-UHFFFAOYSA-N -1 3 286.335 3.395 20 0 CGADHM Cc1cc(OC(C)C)ncc1-c1ccc(-c2nnn[n-]2)cc1 ZINC001241446564 821842696 /nfs/dbraw/zinc/84/26/96/821842696.db2.gz HHHJMFMMYQJWSL-UHFFFAOYSA-N -1 3 295.346 3.024 20 0 CGADHM Cc1cc(OC(C)C)ncc1-c1ccc(-c2nn[n-]n2)cc1 ZINC001241446564 821842702 /nfs/dbraw/zinc/84/27/02/821842702.db2.gz HHHJMFMMYQJWSL-UHFFFAOYSA-N -1 3 295.346 3.024 20 0 CGADHM Fc1cc2cnccc2cc1-c1ccc(-c2nnn[n-]2)cc1 ZINC001241446261 821842865 /nfs/dbraw/zinc/84/28/65/821842865.db2.gz SPAKIUWKORFSAU-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM Fc1cc2cnccc2cc1-c1ccc(-c2nn[n-]n2)cc1 ZINC001241446261 821842871 /nfs/dbraw/zinc/84/28/71/821842871.db2.gz SPAKIUWKORFSAU-UHFFFAOYSA-N -1 3 291.289 3.221 20 0 CGADHM FC(F)Oc1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC001241952310 822243581 /nfs/dbraw/zinc/24/35/81/822243581.db2.gz XBWNMLWLBNMSCE-UHFFFAOYSA-N -1 3 288.257 3.135 20 0 CGADHM FC(F)Oc1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC001241952310 822243586 /nfs/dbraw/zinc/24/35/86/822243586.db2.gz XBWNMLWLBNMSCE-UHFFFAOYSA-N -1 3 288.257 3.135 20 0 CGADHM COC(=O)c1c(C)c(OC)ccc1-c1ccc(F)cc1[O-] ZINC001242217756 822915190 /nfs/dbraw/zinc/91/51/90/822915190.db2.gz KXEQJNNZISLHDV-UHFFFAOYSA-N -1 3 290.290 3.302 20 0 CGADHM [O-]c1cc(F)ccc1-c1ccc2c(c1)C1(CC2)OCCO1 ZINC001242221680 822917381 /nfs/dbraw/zinc/91/73/81/822917381.db2.gz OMYDMDZBSSELGE-UHFFFAOYSA-N -1 3 286.302 3.344 20 0 CGADHM Cc1c(F)cc(-c2ccc(Cc3nnn[n-]3)cc2)cc1F ZINC001242288931 822939897 /nfs/dbraw/zinc/93/98/97/822939897.db2.gz VTDZILSFASJAKZ-UHFFFAOYSA-N -1 3 286.285 3.044 20 0 CGADHM Cc1c(F)cc(-c2ccc(Cc3nn[n-]n3)cc2)cc1F ZINC001242288931 822939900 /nfs/dbraw/zinc/93/99/00/822939900.db2.gz VTDZILSFASJAKZ-UHFFFAOYSA-N -1 3 286.285 3.044 20 0 CGADHM Cc1cccc(-c2cc(C(F)(F)F)[n-]c(=S)n2)c1O ZINC001242344609 822957951 /nfs/dbraw/zinc/95/79/51/822957951.db2.gz PSKCVKOPDKCTOB-UHFFFAOYSA-N -1 3 286.278 3.465 20 0 CGADHM COC(=O)c1cc(-c2cccc(F)c2[O-])ccc1C ZINC001242351594 822962184 /nfs/dbraw/zinc/96/21/84/822962184.db2.gz XTYLBRWGYRPBTD-UHFFFAOYSA-N -1 3 260.264 3.293 20 0 CGADHM Cc1nc2c(ncc(-c3cccc(F)c3[O-])c2C)[nH]1 ZINC001242353379 822962437 /nfs/dbraw/zinc/96/24/37/822962437.db2.gz NPBXNQXEKGTZBF-UHFFFAOYSA-N -1 3 257.268 3.086 20 0 CGADHM [O-]c1c(F)cccc1-c1cccc2c1CCC21OCCO1 ZINC001242353562 822963037 /nfs/dbraw/zinc/96/30/37/822963037.db2.gz HWCPEDWGOAKCRX-UHFFFAOYSA-N -1 3 286.302 3.344 20 0 CGADHM Cc1cc(-c2ccc(-c3nnn[n-]3)cc2C)c(C)o1 ZINC001242408076 822983825 /nfs/dbraw/zinc/98/38/25/822983825.db2.gz PGVITIWLNQPBHP-UHFFFAOYSA-N -1 3 254.293 3.052 20 0 CGADHM Cc1cc(-c2ccc(-c3nn[n-]n3)cc2C)c(C)o1 ZINC001242408076 822983828 /nfs/dbraw/zinc/98/38/28/822983828.db2.gz PGVITIWLNQPBHP-UHFFFAOYSA-N -1 3 254.293 3.052 20 0 CGADHM